smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc2[nH+]cc(CN3CCN4C(=O)NC[C@H]4C3)n2c1 ZINC000091864511 349477270 /nfs/dbraw/zinc/47/72/70/349477270.db2.gz YYGGMCJAXZRCHM-LBPRGKRZSA-N 1 2 296.334 0.415 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641017 361768012 /nfs/dbraw/zinc/76/80/12/361768012.db2.gz GNEUPOVWQBINGK-QWRGUYRKSA-N 1 2 287.335 0.447 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641017 361768018 /nfs/dbraw/zinc/76/80/18/361768018.db2.gz GNEUPOVWQBINGK-QWRGUYRKSA-N 1 2 287.335 0.447 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599643908 361769587 /nfs/dbraw/zinc/76/95/87/361769587.db2.gz WPPHBHXGEMAUIK-NWDGAFQWSA-N 1 2 271.336 0.807 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CCF)C1 ZINC000599643908 361769591 /nfs/dbraw/zinc/76/95/91/361769591.db2.gz WPPHBHXGEMAUIK-NWDGAFQWSA-N 1 2 271.336 0.807 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000600422685 361958673 /nfs/dbraw/zinc/95/86/73/361958673.db2.gz XNKQDSFCAKVWNZ-AKJDGMEZSA-N 1 2 251.330 0.373 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000600422685 361958676 /nfs/dbraw/zinc/95/86/76/361958676.db2.gz XNKQDSFCAKVWNZ-AKJDGMEZSA-N 1 2 251.330 0.373 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)nc1 ZINC000107573065 349738049 /nfs/dbraw/zinc/73/80/49/349738049.db2.gz SDRSFSMISMRSGJ-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000600997585 362122401 /nfs/dbraw/zinc/12/24/01/362122401.db2.gz IENCXXNHRDYREC-GFCCVEGCSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601107882 362150241 /nfs/dbraw/zinc/15/02/41/362150241.db2.gz CGUSTDMUPWRAEO-LBPRGKRZSA-N 1 2 273.340 0.390 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601107882 362150248 /nfs/dbraw/zinc/15/02/48/362150248.db2.gz CGUSTDMUPWRAEO-LBPRGKRZSA-N 1 2 273.340 0.390 20 30 CCEDLO N#Cc1c(F)cccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601175755 362167553 /nfs/dbraw/zinc/16/75/53/362167553.db2.gz BKSIKVVQUFESHB-LLVKDONJSA-N 1 2 279.315 0.802 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329059031 529852797 /nfs/dbraw/zinc/85/27/97/529852797.db2.gz IZBLBKOXYWFBAG-VXGBXAGGSA-N 1 2 299.371 0.881 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329059031 529852799 /nfs/dbraw/zinc/85/27/99/529852799.db2.gz IZBLBKOXYWFBAG-VXGBXAGGSA-N 1 2 299.371 0.881 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000116889786 349876481 /nfs/dbraw/zinc/87/64/81/349876481.db2.gz HFGLOCAHCUNCAI-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000116889786 349876482 /nfs/dbraw/zinc/87/64/82/349876482.db2.gz HFGLOCAHCUNCAI-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000601528478 362301792 /nfs/dbraw/zinc/30/17/92/362301792.db2.gz JQXFDKWPSZUEHM-ZDUSSCGKSA-N 1 2 275.312 0.130 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1C#N ZINC000601679649 362352746 /nfs/dbraw/zinc/35/27/46/362352746.db2.gz MOCYPTIBEDUSHB-JTQLQIEISA-N 1 2 284.323 0.718 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888159 362417251 /nfs/dbraw/zinc/41/72/51/362417251.db2.gz SGDKKJBREKFDKJ-CYBMUJFWSA-N 1 2 287.367 0.713 20 30 CCEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@@H](CO)C1 ZINC000601980371 362449617 /nfs/dbraw/zinc/44/96/17/362449617.db2.gz UKEGXBVNIZFYAF-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@@H](CO)C1 ZINC000601980371 362449621 /nfs/dbraw/zinc/44/96/21/362449621.db2.gz UKEGXBVNIZFYAF-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO N#CC1(CN2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000408110705 260236162 /nfs/dbraw/zinc/23/61/62/260236162.db2.gz UJDNMULECHVMPG-UHFFFAOYSA-N 1 2 276.384 0.530 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000602615398 362715071 /nfs/dbraw/zinc/71/50/71/362715071.db2.gz GJWPEGYNLGGNNR-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000602615398 362715075 /nfs/dbraw/zinc/71/50/75/362715075.db2.gz GJWPEGYNLGGNNR-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)N1CC#N ZINC000602848796 362835655 /nfs/dbraw/zinc/83/56/55/362835655.db2.gz IJUDLUYLDJVNIL-CHWSQXEVSA-N 1 2 289.383 0.467 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)o1 ZINC000340329997 137085078 /nfs/dbraw/zinc/08/50/78/137085078.db2.gz XDBWXRKFXNERBN-UHFFFAOYSA-N 1 2 285.307 0.832 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000007659458 348008597 /nfs/dbraw/zinc/00/85/97/348008597.db2.gz USXMQUGCGAHTFQ-HNNXBMFYSA-N 1 2 296.415 0.887 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000007659458 348008599 /nfs/dbraw/zinc/00/85/99/348008599.db2.gz USXMQUGCGAHTFQ-HNNXBMFYSA-N 1 2 296.415 0.887 20 30 CCEDLO C#CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000009810051 348013514 /nfs/dbraw/zinc/01/35/14/348013514.db2.gz OHJJSVSJVMFAQG-UHFFFAOYSA-N 1 2 274.324 0.351 20 30 CCEDLO C=CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000009809946 348013846 /nfs/dbraw/zinc/01/38/46/348013846.db2.gz SXNASBCREWHGRC-UHFFFAOYSA-N 1 2 276.340 0.903 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000023023258 348083245 /nfs/dbraw/zinc/08/32/45/348083245.db2.gz JOSJMWDOTSGPAY-UHFFFAOYSA-N 1 2 274.368 0.501 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000025317941 348090251 /nfs/dbraw/zinc/09/02/51/348090251.db2.gz GJJXZQHHMSXHRV-LBPRGKRZSA-N 1 2 275.356 0.289 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC3(CC#N)CC3)C[C@H]21 ZINC000602902984 362877401 /nfs/dbraw/zinc/87/74/01/362877401.db2.gz YIFYZQQOHHFCCW-TUAOUCFPSA-N 1 2 284.381 0.424 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC3(CC#N)CC3)C[C@H]21 ZINC000602902984 362877404 /nfs/dbraw/zinc/87/74/04/362877404.db2.gz YIFYZQQOHHFCCW-TUAOUCFPSA-N 1 2 284.381 0.424 20 30 CCEDLO N#CCC1(C[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)CC1 ZINC000602907937 362879644 /nfs/dbraw/zinc/87/96/44/362879644.db2.gz NVIBVXFHZBJIPJ-GFCCVEGCSA-N 1 2 261.329 0.673 20 30 CCEDLO N#CCC1(C[N@H+]2CCO[C@@H](Cn3ccnn3)C2)CC1 ZINC000602907937 362879649 /nfs/dbraw/zinc/87/96/49/362879649.db2.gz NVIBVXFHZBJIPJ-GFCCVEGCSA-N 1 2 261.329 0.673 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000047263248 348373024 /nfs/dbraw/zinc/37/30/24/348373024.db2.gz JWJMGPREAXGYDJ-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000047263248 348373027 /nfs/dbraw/zinc/37/30/27/348373027.db2.gz JWJMGPREAXGYDJ-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@](C)(CO)C1 ZINC000602962774 362910770 /nfs/dbraw/zinc/91/07/70/362910770.db2.gz OXWBUWKYRMWCFI-JQWIXIFHSA-N 1 2 267.354 0.986 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@](C)(CO)C1 ZINC000602962774 362910772 /nfs/dbraw/zinc/91/07/72/362910772.db2.gz OXWBUWKYRMWCFI-JQWIXIFHSA-N 1 2 267.354 0.986 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)[nH]1 ZINC000347316659 137331188 /nfs/dbraw/zinc/33/11/88/137331188.db2.gz SKTWBZQLNXZWCH-UHFFFAOYSA-N 1 2 274.324 0.481 20 30 CCEDLO N#Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000048918082 348429438 /nfs/dbraw/zinc/42/94/38/348429438.db2.gz ZSTZVTQIOYTRQL-UHFFFAOYSA-N 1 2 283.291 0.510 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cscc2C#N)CC[N@@H+]1CCO ZINC000347523244 137341010 /nfs/dbraw/zinc/34/10/10/137341010.db2.gz NRHXZNDVGHGLIE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cscc2C#N)CC[N@H+]1CCO ZINC000347523244 137341011 /nfs/dbraw/zinc/34/10/11/137341011.db2.gz NRHXZNDVGHGLIE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000052687884 348513292 /nfs/dbraw/zinc/51/32/92/348513292.db2.gz ACHAJELDKSTFSF-ZIAGYGMSSA-N 1 2 278.400 0.632 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000057392020 348608667 /nfs/dbraw/zinc/60/86/67/348608667.db2.gz AHIMWJOXYOSBBT-UHFFFAOYSA-N 1 2 275.352 0.816 20 30 CCEDLO COc1ccnc(N2CC[NH+](CCCC#N)CC2)n1 ZINC000060569127 348646653 /nfs/dbraw/zinc/64/66/53/348646653.db2.gz ZGCYOOLYFGPKAM-UHFFFAOYSA-N 1 2 261.329 0.911 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057873948 348618094 /nfs/dbraw/zinc/61/80/94/348618094.db2.gz MSUWPDRDPCWEEG-UHFFFAOYSA-N 1 2 280.372 0.253 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000602999274 362929239 /nfs/dbraw/zinc/92/92/39/362929239.db2.gz BZPSTOULOZTNBJ-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000602999274 362929241 /nfs/dbraw/zinc/92/92/41/362929241.db2.gz BZPSTOULOZTNBJ-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000067966043 348792534 /nfs/dbraw/zinc/79/25/34/348792534.db2.gz CNOJYPPDELATLJ-HNNXBMFYSA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000067966043 348792536 /nfs/dbraw/zinc/79/25/36/348792536.db2.gz CNOJYPPDELATLJ-HNNXBMFYSA-N 1 2 294.399 0.771 20 30 CCEDLO C#CC[N@@H+](CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000066538930 348747634 /nfs/dbraw/zinc/74/76/34/348747634.db2.gz UHPCBEGFSLQOKA-GFCCVEGCSA-N 1 2 254.355 0.803 20 30 CCEDLO C#CC[N@H+](CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000066538930 348747636 /nfs/dbraw/zinc/74/76/36/348747636.db2.gz UHPCBEGFSLQOKA-GFCCVEGCSA-N 1 2 254.355 0.803 20 30 CCEDLO C[N@H+](CCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000076303527 349078670 /nfs/dbraw/zinc/07/86/70/349078670.db2.gz CFQPQKHDQLGYQR-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO C[N@@H+](CCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000076303527 349078672 /nfs/dbraw/zinc/07/86/72/349078672.db2.gz CFQPQKHDQLGYQR-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO C#CC[N@@H+](CCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000077282794 349105231 /nfs/dbraw/zinc/10/52/31/349105231.db2.gz BTUWVFLSQHTDAN-CYBMUJFWSA-N 1 2 281.381 0.085 20 30 CCEDLO C#CC[N@H+](CCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000077282794 349105235 /nfs/dbraw/zinc/10/52/35/349105235.db2.gz BTUWVFLSQHTDAN-CYBMUJFWSA-N 1 2 281.381 0.085 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000081017401 349240654 /nfs/dbraw/zinc/24/06/54/349240654.db2.gz ICJFLZZIVFSCON-NSHDSACASA-N 1 2 284.356 0.067 20 30 CCEDLO CC[N@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000081039216 349243376 /nfs/dbraw/zinc/24/33/76/349243376.db2.gz ZLJRUAYJENJFMG-UHFFFAOYSA-N 1 2 252.318 0.552 20 30 CCEDLO CC[N@@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000081039216 349243378 /nfs/dbraw/zinc/24/33/78/349243378.db2.gz ZLJRUAYJENJFMG-UHFFFAOYSA-N 1 2 252.318 0.552 20 30 CCEDLO C[C@@H](C(=O)N[C@]1(C#N)CCSC1)[NH+]1CCSCC1 ZINC000131636927 350281186 /nfs/dbraw/zinc/28/11/86/350281186.db2.gz WUZPUXUYAPMEQP-JQWIXIFHSA-N 1 2 285.438 0.939 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnc(C#N)c1 ZINC000603137316 362973285 /nfs/dbraw/zinc/97/32/85/362973285.db2.gz FMQCPPMFTWGOAO-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110678853 186311721 /nfs/dbraw/zinc/31/17/21/186311721.db2.gz OSLCOGBVVJBEKX-KBPBESRZSA-N 1 2 273.336 0.802 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110678853 186311722 /nfs/dbraw/zinc/31/17/22/186311722.db2.gz OSLCOGBVVJBEKX-KBPBESRZSA-N 1 2 273.336 0.802 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603223171 363008818 /nfs/dbraw/zinc/00/88/18/363008818.db2.gz PQFUGXMXFFCWIE-UHFFFAOYSA-N 1 2 266.308 0.706 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603281432 363043116 /nfs/dbraw/zinc/04/31/16/363043116.db2.gz XEYAVQNFSQDHIK-JTQLQIEISA-N 1 2 256.331 0.447 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000198367143 351921524 /nfs/dbraw/zinc/92/15/24/351921524.db2.gz AOVYWJUCAWUZLT-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)nc1 ZINC000292054201 198147606 /nfs/dbraw/zinc/14/76/06/198147606.db2.gz BLGAFBGQMFXDSS-RYUDHWBXSA-N 1 2 273.292 0.722 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)nc1 ZINC000292054201 198147607 /nfs/dbraw/zinc/14/76/07/198147607.db2.gz BLGAFBGQMFXDSS-RYUDHWBXSA-N 1 2 273.292 0.722 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000604436765 363196295 /nfs/dbraw/zinc/19/62/95/363196295.db2.gz LYRPKQHBRPIMQU-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000270684893 352967124 /nfs/dbraw/zinc/96/71/24/352967124.db2.gz VATNUZANEPPZPI-LBPRGKRZSA-N 1 2 287.323 0.239 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000270684893 352967127 /nfs/dbraw/zinc/96/71/27/352967127.db2.gz VATNUZANEPPZPI-LBPRGKRZSA-N 1 2 287.323 0.239 20 30 CCEDLO N#Cc1csc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000270975082 353009717 /nfs/dbraw/zinc/00/97/17/353009717.db2.gz IOZZBEDYXAISBL-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO N#Cc1csc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000270975082 353009719 /nfs/dbraw/zinc/00/97/19/353009719.db2.gz IOZZBEDYXAISBL-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000272771366 353093060 /nfs/dbraw/zinc/09/30/60/353093060.db2.gz MUFFYNICHXJMPI-UHFFFAOYSA-N 1 2 274.320 0.879 20 30 CCEDLO C=CCN(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275190120 353193827 /nfs/dbraw/zinc/19/38/27/353193827.db2.gz GATKKHANYKWZMZ-UHFFFAOYSA-N 1 2 293.371 0.865 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000280671501 353375031 /nfs/dbraw/zinc/37/50/31/353375031.db2.gz CNFDCJPUZKNXJB-NSHDSACASA-N 1 2 261.329 0.789 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000304128457 354106971 /nfs/dbraw/zinc/10/69/71/354106971.db2.gz AKQKSNJSOVQNOM-QWHCGFSZSA-N 1 2 259.309 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](O)C2)cc1 ZINC000304128457 354106975 /nfs/dbraw/zinc/10/69/75/354106975.db2.gz AKQKSNJSOVQNOM-QWHCGFSZSA-N 1 2 259.309 0.541 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329804719 354260325 /nfs/dbraw/zinc/26/03/25/354260325.db2.gz MGEKPZMAIJUHTA-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329804719 354260330 /nfs/dbraw/zinc/26/03/30/354260330.db2.gz MGEKPZMAIJUHTA-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1F ZINC000331144119 354465276 /nfs/dbraw/zinc/46/52/76/354465276.db2.gz GAWISIHHISTPSC-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1F ZINC000331144119 354465280 /nfs/dbraw/zinc/46/52/80/354465280.db2.gz GAWISIHHISTPSC-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000331331328 354537841 /nfs/dbraw/zinc/53/78/41/354537841.db2.gz HOUAAMFCBJFUDW-NSHDSACASA-N 1 2 292.339 0.652 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000331331328 354537843 /nfs/dbraw/zinc/53/78/43/354537843.db2.gz HOUAAMFCBJFUDW-NSHDSACASA-N 1 2 292.339 0.652 20 30 CCEDLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)n1cnc(C#N)n1 ZINC000336963778 355234373 /nfs/dbraw/zinc/23/43/73/355234373.db2.gz GYUYIMCEOJEMSM-SNVBAGLBSA-N 1 2 295.306 0.675 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nccnc1C#N ZINC000286278357 291068246 /nfs/dbraw/zinc/06/82/46/291068246.db2.gz HWDFTTAPBPGECD-NWDGAFQWSA-N 1 2 273.340 0.648 20 30 CCEDLO Cc1cc(NC[C@H]2CCN(C)C(=O)C2)c(C#N)c[nH+]1 ZINC000425263811 235277880 /nfs/dbraw/zinc/27/78/80/235277880.db2.gz CPYAKBCHFRUBKA-NSHDSACASA-N 1 2 258.325 0.964 20 30 CCEDLO N#Cc1ncn(CC(=O)NCCc2cn3ccccc3[nH+]2)n1 ZINC000425942571 235321546 /nfs/dbraw/zinc/32/15/46/235321546.db2.gz NKPKKYQVTFVTJW-UHFFFAOYSA-N 1 2 295.306 0.156 20 30 CCEDLO Cc1ccc(NC(=O)Cn2cnc(C#N)n2)c(C)[nH+]1 ZINC000426897782 235347491 /nfs/dbraw/zinc/34/74/91/235347491.db2.gz QUOKYCWPWDWZOA-UHFFFAOYSA-N 1 2 256.269 0.800 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)cn1C ZINC000345405257 355817568 /nfs/dbraw/zinc/81/75/68/355817568.db2.gz OKXVKATXJZSXQA-LBPRGKRZSA-N 1 2 290.367 0.689 20 30 CCEDLO N#Cc1csc(C[NH2+]CCN2CCCS2(=O)=O)n1 ZINC000352836198 356093393 /nfs/dbraw/zinc/09/33/93/356093393.db2.gz SFAHZHOYYQWHBX-UHFFFAOYSA-N 1 2 286.382 0.140 20 30 CCEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(CC#N)CC3)cc12 ZINC000353156150 356165383 /nfs/dbraw/zinc/16/53/83/356165383.db2.gz QXCPHCKOHYMWEQ-UHFFFAOYSA-N 1 2 270.340 0.908 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)nc1 ZINC000176265970 283161109 /nfs/dbraw/zinc/16/11/09/283161109.db2.gz ZNLKTRKYKGSTJU-CQSZACIVSA-N 1 2 299.378 0.744 20 30 CCEDLO Cc1cc(NC(=O)c2cnn(C)c2C#N)c(C)c[nH+]1 ZINC000619440724 366252736 /nfs/dbraw/zinc/25/27/36/366252736.db2.gz UFCIPMLRFCQGQM-UHFFFAOYSA-N 1 2 255.281 0.978 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000619621048 366302804 /nfs/dbraw/zinc/30/28/04/366302804.db2.gz PJCKSMXICPZGQD-CYBMUJFWSA-N 1 2 262.357 0.305 20 30 CCEDLO N#CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000609569111 363505444 /nfs/dbraw/zinc/50/54/44/363505444.db2.gz IIMNCIBFBXGLJB-UHFFFAOYSA-N 1 2 287.319 0.992 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000610138515 363538984 /nfs/dbraw/zinc/53/89/84/363538984.db2.gz MQLZUGGICHIHPP-LBPRGKRZSA-N 1 2 292.383 0.301 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cn1cccn1 ZINC000610391825 363554363 /nfs/dbraw/zinc/55/43/63/363554363.db2.gz UDCHXHQTUQCMFO-GFCCVEGCSA-N 1 2 252.318 0.106 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cn1cccn1 ZINC000610391825 363554366 /nfs/dbraw/zinc/55/43/66/363554366.db2.gz UDCHXHQTUQCMFO-GFCCVEGCSA-N 1 2 252.318 0.106 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000356054846 356693611 /nfs/dbraw/zinc/69/36/11/356693611.db2.gz BHBKPECDRYDGBG-QMMMGPOBSA-N 1 2 250.327 0.712 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000356054846 356693614 /nfs/dbraw/zinc/69/36/14/356693614.db2.gz BHBKPECDRYDGBG-QMMMGPOBSA-N 1 2 250.327 0.712 20 30 CCEDLO CC1CC(C#N)(C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000619776400 366349541 /nfs/dbraw/zinc/34/95/41/366349541.db2.gz BDIIXDQFBQPTQN-UHFFFAOYSA-N 1 2 295.383 0.079 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000270616836 283222147 /nfs/dbraw/zinc/22/21/47/283222147.db2.gz ODGJVOVAJXRNLZ-CQSZACIVSA-N 1 2 299.378 0.744 20 30 CCEDLO Cn1nnnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366407081 357202755 /nfs/dbraw/zinc/20/27/55/357202755.db2.gz RVQNNMYBOIYBPS-NSHDSACASA-N 1 2 285.311 0.130 20 30 CCEDLO Cn1nnnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366407081 357202757 /nfs/dbraw/zinc/20/27/57/357202757.db2.gz RVQNNMYBOIYBPS-NSHDSACASA-N 1 2 285.311 0.130 20 30 CCEDLO COCCOC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405040197 357822774 /nfs/dbraw/zinc/82/27/74/357822774.db2.gz BEXFSILQJLZSHF-CQSZACIVSA-N 1 2 276.336 0.898 20 30 CCEDLO COCCOC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405040197 357822778 /nfs/dbraw/zinc/82/27/78/357822778.db2.gz BEXFSILQJLZSHF-CQSZACIVSA-N 1 2 276.336 0.898 20 30 CCEDLO Cc1nsc(NC(=O)N2CC[NH+](CCO)CC2)c1C#N ZINC000294352261 199008470 /nfs/dbraw/zinc/00/84/70/199008470.db2.gz ZGXXQTIKGDDQNL-UHFFFAOYSA-N 1 2 295.368 0.465 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084358 357911177 /nfs/dbraw/zinc/91/11/77/357911177.db2.gz OUXZZYNXZIXQIV-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084358 357911178 /nfs/dbraw/zinc/91/11/78/357911178.db2.gz OUXZZYNXZIXQIV-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452088629 236218110 /nfs/dbraw/zinc/21/81/10/236218110.db2.gz RXJJHQOBVGASAO-CYBMUJFWSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452088629 236218111 /nfs/dbraw/zinc/21/81/11/236218111.db2.gz RXJJHQOBVGASAO-CYBMUJFWSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000456202817 236368062 /nfs/dbraw/zinc/36/80/62/236368062.db2.gz DRUJNTCVZJVRHM-OKILXGFUSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000456202817 236368065 /nfs/dbraw/zinc/36/80/65/236368065.db2.gz DRUJNTCVZJVRHM-OKILXGFUSA-N 1 2 286.335 0.546 20 30 CCEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)nn1C ZINC000487380528 358285768 /nfs/dbraw/zinc/28/57/68/358285768.db2.gz RUBIHDWOTSLPGP-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000491191897 358292611 /nfs/dbraw/zinc/29/26/11/358292611.db2.gz IVHHDZKKWKJEIY-UHFFFAOYSA-N 1 2 258.325 0.751 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000491661375 358295834 /nfs/dbraw/zinc/29/58/34/358295834.db2.gz AXMQXVSHUULZNI-SWLSCSKDSA-N 1 2 287.363 0.543 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000491661375 358295838 /nfs/dbraw/zinc/29/58/38/358295838.db2.gz AXMQXVSHUULZNI-SWLSCSKDSA-N 1 2 287.363 0.543 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494031248 358311351 /nfs/dbraw/zinc/31/13/51/358311351.db2.gz CKRXGCBPFRNUHL-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494031248 358311360 /nfs/dbraw/zinc/31/13/60/358311360.db2.gz CKRXGCBPFRNUHL-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO CC(C)CC(=O)NCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563219898 358557127 /nfs/dbraw/zinc/55/71/27/358557127.db2.gz AZNRNZJGCMNXGU-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000573210795 358948648 /nfs/dbraw/zinc/94/86/48/358948648.db2.gz XFDRDKQGHYQFRN-NSHDSACASA-N 1 2 289.295 0.709 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000573210795 358948649 /nfs/dbraw/zinc/94/86/49/358948649.db2.gz XFDRDKQGHYQFRN-NSHDSACASA-N 1 2 289.295 0.709 20 30 CCEDLO C[C@@H](CCC#N)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000573806858 359001396 /nfs/dbraw/zinc/00/13/96/359001396.db2.gz PUMZJUZXQLJBGS-NSHDSACASA-N 1 2 252.362 0.560 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@@H+]1CCO ZINC000589208042 359368713 /nfs/dbraw/zinc/36/87/13/359368713.db2.gz OZNOJEZOMPYFCV-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1CCO ZINC000589208042 359368719 /nfs/dbraw/zinc/36/87/19/359368719.db2.gz OZNOJEZOMPYFCV-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)n1 ZINC000589312916 359377896 /nfs/dbraw/zinc/37/78/96/359377896.db2.gz XMWICVYQVUIIEA-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000589455300 359383670 /nfs/dbraw/zinc/38/36/70/359383670.db2.gz LVJOXKLFSPIHOV-SECBINFHSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000589455300 359383674 /nfs/dbraw/zinc/38/36/74/359383674.db2.gz LVJOXKLFSPIHOV-SECBINFHSA-N 1 2 267.292 0.964 20 30 CCEDLO C[C@@](C#N)(NC(=O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000590601142 359496017 /nfs/dbraw/zinc/49/60/17/359496017.db2.gz QUVGNEBSQDNGGF-AWEZNQCLSA-N 1 2 273.340 0.576 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000590737008 359512357 /nfs/dbraw/zinc/51/23/57/359512357.db2.gz IEFGWMLYTQTOTP-DTWKUNHWSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000590737008 359512361 /nfs/dbraw/zinc/51/23/61/359512361.db2.gz IEFGWMLYTQTOTP-DTWKUNHWSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000590747578 359514223 /nfs/dbraw/zinc/51/42/23/359514223.db2.gz QCFUOEGIHBZJJP-YNEHKIRRSA-N 1 2 288.347 0.995 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000590747578 359514230 /nfs/dbraw/zinc/51/42/30/359514230.db2.gz QCFUOEGIHBZJJP-YNEHKIRRSA-N 1 2 288.347 0.995 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760315 359518878 /nfs/dbraw/zinc/51/88/78/359518878.db2.gz XHVYIBXOOLGHBB-LLVKDONJSA-N 1 2 265.313 0.491 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760315 359518881 /nfs/dbraw/zinc/51/88/81/359518881.db2.gz XHVYIBXOOLGHBB-LLVKDONJSA-N 1 2 265.313 0.491 20 30 CCEDLO CNC(=O)[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000591627250 359615817 /nfs/dbraw/zinc/61/58/17/359615817.db2.gz AAFOYBKMWXFODC-AWEZNQCLSA-N 1 2 277.324 0.878 20 30 CCEDLO CNC(=O)[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000591627250 359615822 /nfs/dbraw/zinc/61/58/22/359615822.db2.gz AAFOYBKMWXFODC-AWEZNQCLSA-N 1 2 277.324 0.878 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000591973727 359715517 /nfs/dbraw/zinc/71/55/17/359715517.db2.gz FGKQEWRZLFASQI-SNVBAGLBSA-N 1 2 253.693 0.567 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000591973727 359715522 /nfs/dbraw/zinc/71/55/22/359715522.db2.gz FGKQEWRZLFASQI-SNVBAGLBSA-N 1 2 253.693 0.567 20 30 CCEDLO N#Cc1cnccc1CN(CCO)CC[NH+]1CCOCC1 ZINC000592071653 359745773 /nfs/dbraw/zinc/74/57/73/359745773.db2.gz NFLMQNLBLAEXFC-UHFFFAOYSA-N 1 2 290.367 0.080 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155257 359771748 /nfs/dbraw/zinc/77/17/48/359771748.db2.gz ZGTLGQUYVNPZKM-BXUZGUMPSA-N 1 2 276.340 0.288 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592155257 359771751 /nfs/dbraw/zinc/77/17/51/359771751.db2.gz ZGTLGQUYVNPZKM-BXUZGUMPSA-N 1 2 276.340 0.288 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000592145271 359763897 /nfs/dbraw/zinc/76/38/97/359763897.db2.gz RFGHIYYHAIFFMJ-HNNXBMFYSA-N 1 2 290.367 0.680 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000592145271 359763901 /nfs/dbraw/zinc/76/39/01/359763901.db2.gz RFGHIYYHAIFFMJ-HNNXBMFYSA-N 1 2 290.367 0.680 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000592147374 359765456 /nfs/dbraw/zinc/76/54/56/359765456.db2.gz KQPRQTDAOSIFRL-CYBMUJFWSA-N 1 2 251.330 0.396 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000592147374 359765458 /nfs/dbraw/zinc/76/54/58/359765458.db2.gz KQPRQTDAOSIFRL-CYBMUJFWSA-N 1 2 251.330 0.396 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000592148928 359767690 /nfs/dbraw/zinc/76/76/90/359767690.db2.gz FMEYCPLTNNVPMI-CYBMUJFWSA-N 1 2 290.348 0.606 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000592148928 359767694 /nfs/dbraw/zinc/76/76/94/359767694.db2.gz FMEYCPLTNNVPMI-CYBMUJFWSA-N 1 2 290.348 0.606 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000592148951 359767764 /nfs/dbraw/zinc/76/77/64/359767764.db2.gz FUIUHQNOTCPKRW-OAHLLOKOSA-N 1 2 277.368 0.642 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000592148951 359767767 /nfs/dbraw/zinc/76/77/67/359767767.db2.gz FUIUHQNOTCPKRW-OAHLLOKOSA-N 1 2 277.368 0.642 20 30 CCEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148655 359767788 /nfs/dbraw/zinc/76/77/88/359767788.db2.gz YLQVLAYXKOEDHP-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148655 359767793 /nfs/dbraw/zinc/76/77/93/359767793.db2.gz YLQVLAYXKOEDHP-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CCC#N)CC1 ZINC000611173966 363670262 /nfs/dbraw/zinc/67/02/62/363670262.db2.gz ARODAQOOLYRWIY-ZDUSSCGKSA-N 1 2 277.372 0.278 20 30 CCEDLO CCOC(=O)[C@@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000611175498 363671929 /nfs/dbraw/zinc/67/19/29/363671929.db2.gz GRZUQQVBIDPLGU-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000611237617 363691517 /nfs/dbraw/zinc/69/15/17/363691517.db2.gz QEAUDTZSSWTGQY-JQWIXIFHSA-N 1 2 254.330 0.925 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000611237617 363691523 /nfs/dbraw/zinc/69/15/23/363691523.db2.gz QEAUDTZSSWTGQY-JQWIXIFHSA-N 1 2 254.330 0.925 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn[nH]c1 ZINC000611285798 363702531 /nfs/dbraw/zinc/70/25/31/363702531.db2.gz PYJXQHKJPUILOZ-NSHDSACASA-N 1 2 283.339 0.782 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn[nH]c1 ZINC000611285798 363702536 /nfs/dbraw/zinc/70/25/36/363702536.db2.gz PYJXQHKJPUILOZ-NSHDSACASA-N 1 2 283.339 0.782 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000593066302 360026386 /nfs/dbraw/zinc/02/63/86/360026386.db2.gz KLQHZLFKMVMENE-GHMZBOCLSA-N 1 2 295.364 0.640 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000593066302 360026390 /nfs/dbraw/zinc/02/63/90/360026390.db2.gz KLQHZLFKMVMENE-GHMZBOCLSA-N 1 2 295.364 0.640 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000593063466 360026536 /nfs/dbraw/zinc/02/65/36/360026536.db2.gz JINDHGJDLZNHLM-VHSXEESVSA-N 1 2 253.327 0.596 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000593063466 360026539 /nfs/dbraw/zinc/02/65/39/360026539.db2.gz JINDHGJDLZNHLM-VHSXEESVSA-N 1 2 253.327 0.596 20 30 CCEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000594003433 360231391 /nfs/dbraw/zinc/23/13/91/360231391.db2.gz BIJGXTCHQUHTKM-LBPRGKRZSA-N 1 2 292.383 0.444 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCCC#N ZINC000594281050 360268328 /nfs/dbraw/zinc/26/83/28/360268328.db2.gz BBFNPSXRRJPUAQ-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCCC#N ZINC000594281050 360268334 /nfs/dbraw/zinc/26/83/34/360268334.db2.gz BBFNPSXRRJPUAQ-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000595287481 360481417 /nfs/dbraw/zinc/48/14/17/360481417.db2.gz IVUFIBFTCBFPCF-UONOGXRCSA-N 1 2 294.376 0.802 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000595287481 360481422 /nfs/dbraw/zinc/48/14/22/360481422.db2.gz IVUFIBFTCBFPCF-UONOGXRCSA-N 1 2 294.376 0.802 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000595501965 360552375 /nfs/dbraw/zinc/55/23/75/360552375.db2.gz QULFRZMMPYFFRO-NSHDSACASA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000595501965 360552379 /nfs/dbraw/zinc/55/23/79/360552379.db2.gz QULFRZMMPYFFRO-NSHDSACASA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552257 360577135 /nfs/dbraw/zinc/57/71/35/360577135.db2.gz RKQOFMJMFPDCTN-ZFWWWQNUSA-N 1 2 293.415 0.567 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000595493696 360549697 /nfs/dbraw/zinc/54/96/97/360549697.db2.gz HXZHFYCRFMJUOZ-LBPRGKRZSA-N 1 2 275.356 0.707 20 30 CCEDLO N#CCC1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000595592899 360591160 /nfs/dbraw/zinc/59/11/60/360591160.db2.gz JXXKIKKECKODHW-ZDUSSCGKSA-N 1 2 292.383 0.796 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607267 360595793 /nfs/dbraw/zinc/59/57/93/360595793.db2.gz KHCNPNZBBCIXTH-GHMZBOCLSA-N 1 2 250.302 0.328 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607267 360595794 /nfs/dbraw/zinc/59/57/94/360595794.db2.gz KHCNPNZBBCIXTH-GHMZBOCLSA-N 1 2 250.302 0.328 20 30 CCEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000595823975 360668533 /nfs/dbraw/zinc/66/85/33/360668533.db2.gz WUAISKGPDPIOBC-LLVKDONJSA-N 1 2 250.346 0.978 20 30 CCEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000595823975 360668536 /nfs/dbraw/zinc/66/85/36/360668536.db2.gz WUAISKGPDPIOBC-LLVKDONJSA-N 1 2 250.346 0.978 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000596170894 360820901 /nfs/dbraw/zinc/82/09/01/360820901.db2.gz YWRJUQQJUJWUSV-AWEZNQCLSA-N 1 2 294.362 0.913 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596549745 360918799 /nfs/dbraw/zinc/91/87/99/360918799.db2.gz KEZSZAOYAXPSGT-WDEREUQCSA-N 1 2 293.371 0.939 20 30 CCEDLO N#Cc1cncc(N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000596514204 360913722 /nfs/dbraw/zinc/91/37/22/360913722.db2.gz JGIMUACTOHVGSY-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cnc(C#N)cn2)[C@@H](C)CO1 ZINC000596426882 360890513 /nfs/dbraw/zinc/89/05/13/360890513.db2.gz CNLNWOMGUHFVOC-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cnc(C#N)cn2)[C@@H](C)CO1 ZINC000596426882 360890519 /nfs/dbraw/zinc/89/05/19/360890519.db2.gz CNLNWOMGUHFVOC-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597273239 361047553 /nfs/dbraw/zinc/04/75/53/361047553.db2.gz MFLQDGZVPILION-VIFPVBQESA-N 1 2 276.296 0.040 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597273239 361047554 /nfs/dbraw/zinc/04/75/54/361047554.db2.gz MFLQDGZVPILION-VIFPVBQESA-N 1 2 276.296 0.040 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000597381345 361078659 /nfs/dbraw/zinc/07/86/59/361078659.db2.gz CTSCPGUCUSPXHC-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597380747 361078725 /nfs/dbraw/zinc/07/87/25/361078725.db2.gz XZGJRRXJYBXGAB-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597382795 361079912 /nfs/dbraw/zinc/07/99/12/361079912.db2.gz VKHRCYQZFKZKGS-MFKMUULPSA-N 1 2 262.313 0.490 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597820844 361259366 /nfs/dbraw/zinc/25/93/66/361259366.db2.gz PBNCATSHAXAWHB-ZDUSSCGKSA-N 1 2 283.372 0.343 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622063 361463433 /nfs/dbraw/zinc/46/34/33/361463433.db2.gz YBTFGLSVEKNAAA-QWRGUYRKSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622063 361463438 /nfs/dbraw/zinc/46/34/38/361463438.db2.gz YBTFGLSVEKNAAA-QWRGUYRKSA-N 1 2 253.346 0.450 20 30 CCEDLO Cc1nccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000598671240 361478524 /nfs/dbraw/zinc/47/85/24/361478524.db2.gz PSCIESUKSZTYPR-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO CO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000598836385 361523661 /nfs/dbraw/zinc/52/36/61/361523661.db2.gz IBUNWPRACQGRHD-WCQYABFASA-N 1 2 253.346 0.762 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443733 361705396 /nfs/dbraw/zinc/70/53/96/361705396.db2.gz LBFRTYPFDGNKTO-NSHDSACASA-N 1 2 291.351 0.991 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443733 361705402 /nfs/dbraw/zinc/70/54/02/361705402.db2.gz LBFRTYPFDGNKTO-NSHDSACASA-N 1 2 291.351 0.991 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612154757 363857744 /nfs/dbraw/zinc/85/77/44/363857744.db2.gz DRQXXVSXPHVSBR-MFKMUULPSA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612154757 363857750 /nfs/dbraw/zinc/85/77/50/363857750.db2.gz DRQXXVSXPHVSBR-MFKMUULPSA-N 1 2 266.345 0.846 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167608 363858532 /nfs/dbraw/zinc/85/85/32/363858532.db2.gz RANBVYPTVLOCGK-HNNXBMFYSA-N 1 2 292.383 0.303 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167608 363858535 /nfs/dbraw/zinc/85/85/35/363858535.db2.gz RANBVYPTVLOCGK-HNNXBMFYSA-N 1 2 292.383 0.303 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000614296667 364564150 /nfs/dbraw/zinc/56/41/50/364564150.db2.gz LNPIBEFXMATNDJ-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614701510 364702031 /nfs/dbraw/zinc/70/20/31/364702031.db2.gz WGUIUAZKEXNPFB-JSGCOSHPSA-N 1 2 290.367 0.785 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615557228 365006588 /nfs/dbraw/zinc/00/65/88/365006588.db2.gz HOQAYCLNNZQOIC-GXTWGEPZSA-N 1 2 268.357 0.247 20 30 CCEDLO CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2F)CC1 ZINC000565063718 291341688 /nfs/dbraw/zinc/34/16/88/291341688.db2.gz YWAWPPQXVPIGBO-CYBMUJFWSA-N 1 2 293.342 0.684 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776338 365086518 /nfs/dbraw/zinc/08/65/18/365086518.db2.gz MNQHTNQCYQDYKR-JTQLQIEISA-N 1 2 266.345 0.005 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776338 365086525 /nfs/dbraw/zinc/08/65/25/365086525.db2.gz MNQHTNQCYQDYKR-JTQLQIEISA-N 1 2 266.345 0.005 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776592 365086954 /nfs/dbraw/zinc/08/69/54/365086954.db2.gz PTKBUBFIRGTYEG-NSHDSACASA-N 1 2 280.372 0.347 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776592 365086959 /nfs/dbraw/zinc/08/69/59/365086959.db2.gz PTKBUBFIRGTYEG-NSHDSACASA-N 1 2 280.372 0.347 20 30 CCEDLO C=CCCCN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631991544 370813445 /nfs/dbraw/zinc/81/34/45/370813445.db2.gz WYCJYUCBPOZCGJ-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=CCCCN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631991544 370813450 /nfs/dbraw/zinc/81/34/50/370813450.db2.gz WYCJYUCBPOZCGJ-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616863918 365462740 /nfs/dbraw/zinc/46/27/40/365462740.db2.gz YTIYIKWANMOLTJ-DOMZBBRYSA-N 1 2 295.383 0.923 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624369991 367856881 /nfs/dbraw/zinc/85/68/81/367856881.db2.gz YLJCZUPHFGBCIP-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624369991 367856884 /nfs/dbraw/zinc/85/68/84/367856884.db2.gz YLJCZUPHFGBCIP-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626449075 368547714 /nfs/dbraw/zinc/54/77/14/368547714.db2.gz VSIVRQQESAJKGC-NEPJUHHUSA-N 1 2 263.341 0.807 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc[nH]n1 ZINC000154757991 261094751 /nfs/dbraw/zinc/09/47/51/261094751.db2.gz APLPTBIYIJNLDY-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000276058767 193200508 /nfs/dbraw/zinc/20/05/08/193200508.db2.gz ZHSOWPDDSBGYTB-OAHLLOKOSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000276058763 193200551 /nfs/dbraw/zinc/20/05/51/193200551.db2.gz ZHSOWPDDSBGYTB-HNNXBMFYSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)OCC ZINC000628917820 369459121 /nfs/dbraw/zinc/45/91/21/369459121.db2.gz MGBUFJXYJMZFKI-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1COCC[N@H+]1C)OCC ZINC000628917820 369459125 /nfs/dbraw/zinc/45/91/25/369459125.db2.gz MGBUFJXYJMZFKI-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637870327 374436235 /nfs/dbraw/zinc/43/62/35/374436235.db2.gz RQUURTHFRGGREB-LLVKDONJSA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC000639849262 376063279 /nfs/dbraw/zinc/06/32/79/376063279.db2.gz TVBGGYREJHWEPZ-OLZOCXBDSA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC000639849262 376063287 /nfs/dbraw/zinc/06/32/87/376063287.db2.gz TVBGGYREJHWEPZ-OLZOCXBDSA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC000639849261 376064072 /nfs/dbraw/zinc/06/40/72/376064072.db2.gz TVBGGYREJHWEPZ-CHWSQXEVSA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)nn1 ZINC000639849261 376064076 /nfs/dbraw/zinc/06/40/76/376064076.db2.gz TVBGGYREJHWEPZ-CHWSQXEVSA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639926587 376131131 /nfs/dbraw/zinc/13/11/31/376131131.db2.gz ADRYXNWCCWJZFK-ZIAGYGMSSA-N 1 2 276.336 0.413 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639926587 376131137 /nfs/dbraw/zinc/13/11/37/376131137.db2.gz ADRYXNWCCWJZFK-ZIAGYGMSSA-N 1 2 276.336 0.413 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCC)nn1 ZINC000640888746 376601597 /nfs/dbraw/zinc/60/15/97/376601597.db2.gz XJQVLQPGZJGEIN-LLVKDONJSA-N 1 2 263.345 0.478 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCCOC)nn1 ZINC000640903653 376608753 /nfs/dbraw/zinc/60/87/53/376608753.db2.gz GVRFFLVRISIECD-LBPRGKRZSA-N 1 2 293.371 0.105 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCc2ccnn2C)nn1 ZINC000641115445 376796926 /nfs/dbraw/zinc/79/69/26/376796926.db2.gz OPYZLGYFWHJHPX-UHFFFAOYSA-N 1 2 258.329 0.367 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(COC)no2)nn1 ZINC000641123649 376799038 /nfs/dbraw/zinc/79/90/38/376799038.db2.gz WXFCWOTZVWGNSY-JTQLQIEISA-N 1 2 290.327 0.530 20 30 CCEDLO C=CCC[C@H](O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641213182 376892450 /nfs/dbraw/zinc/89/24/50/376892450.db2.gz YJCYDEGUEVOUGZ-CMPLNLGQSA-N 1 2 252.318 0.266 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641408201 377082909 /nfs/dbraw/zinc/08/29/09/377082909.db2.gz HCALVGDREUDMTD-UHFFFAOYSA-N 1 2 255.343 0.863 20 30 CCEDLO C#CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265773978 190205414 /nfs/dbraw/zinc/20/54/14/190205414.db2.gz FHNQOLXQBSKMFX-UHFFFAOYSA-N 1 2 258.321 0.882 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC000278976126 194237359 /nfs/dbraw/zinc/23/73/59/194237359.db2.gz ZYGYBIJUCKITHG-LLVKDONJSA-N 1 2 276.340 0.679 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000267402848 190327059 /nfs/dbraw/zinc/32/70/59/190327059.db2.gz XTYDXHYDTFIAHO-UHFFFAOYSA-N 1 2 259.309 0.608 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)NCCF)nn1 ZINC000657458608 412995918 /nfs/dbraw/zinc/99/59/18/412995918.db2.gz GIHQKYDNTUOMEX-JTQLQIEISA-N 1 2 269.324 0.418 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000289081673 197230603 /nfs/dbraw/zinc/23/06/03/197230603.db2.gz LVVHQSPSCYEOLE-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000289081673 197230605 /nfs/dbraw/zinc/23/06/05/197230605.db2.gz LVVHQSPSCYEOLE-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285503343 388792867 /nfs/dbraw/zinc/79/28/67/388792867.db2.gz MWILNHRQUHJKNF-NSHDSACASA-N 1 2 274.320 0.725 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285503343 388792872 /nfs/dbraw/zinc/79/28/72/388792872.db2.gz MWILNHRQUHJKNF-NSHDSACASA-N 1 2 274.320 0.725 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283816161 388769638 /nfs/dbraw/zinc/76/96/38/388769638.db2.gz JNCBSHWBGYSCGB-NSHDSACASA-N 1 2 264.329 0.470 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284101627 388773641 /nfs/dbraw/zinc/77/36/41/388773641.db2.gz WEEVGWNJINHLDD-GFCCVEGCSA-N 1 2 278.356 0.812 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000186258669 388830222 /nfs/dbraw/zinc/83/02/22/388830222.db2.gz VDNPNUNAMFPIQQ-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000186258669 388830224 /nfs/dbraw/zinc/83/02/24/388830224.db2.gz VDNPNUNAMFPIQQ-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000289271641 388868227 /nfs/dbraw/zinc/86/82/27/388868227.db2.gz WYVPILMPMQGTAG-UONOGXRCSA-N 1 2 276.380 0.875 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCC1 ZINC000044318214 388870396 /nfs/dbraw/zinc/87/03/96/388870396.db2.gz YMVVBTLIZRZYEH-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000048393217 388890819 /nfs/dbraw/zinc/89/08/19/388890819.db2.gz SELATQDAXCDFCW-UHFFFAOYSA-N 1 2 262.313 0.172 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CSCC#N ZINC000046889842 388877886 /nfs/dbraw/zinc/87/78/86/388877886.db2.gz IZDYZKNWTMCMPO-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000291053773 388916672 /nfs/dbraw/zinc/91/66/72/388916672.db2.gz DYNRORXOJRAZHE-NEPJUHHUSA-N 1 2 278.356 0.644 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000291053773 388916673 /nfs/dbraw/zinc/91/66/73/388916673.db2.gz DYNRORXOJRAZHE-NEPJUHHUSA-N 1 2 278.356 0.644 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@@H](C=C)CO)nc[nH+]1 ZINC000291183030 388918108 /nfs/dbraw/zinc/91/81/08/388918108.db2.gz SBPKOMUIEKNRQZ-AOOOYVTPSA-N 1 2 250.302 0.394 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@@H](C=C)CO)[nH+]cn1 ZINC000291183030 388918111 /nfs/dbraw/zinc/91/81/11/388918111.db2.gz SBPKOMUIEKNRQZ-AOOOYVTPSA-N 1 2 250.302 0.394 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000291260886 388920408 /nfs/dbraw/zinc/92/04/08/388920408.db2.gz KTYDDNMRNMZYEM-INIZCTEOSA-N 1 2 283.375 0.326 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCOCC1 ZINC000188285881 388922210 /nfs/dbraw/zinc/92/22/10/388922210.db2.gz SGYMOVMPZLIEID-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO N#Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1O ZINC000188472461 388929603 /nfs/dbraw/zinc/92/96/03/388929603.db2.gz VEIWFORPBONPTG-UHFFFAOYSA-N 1 2 256.265 0.959 20 30 CCEDLO CCCCNC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057881070 388934183 /nfs/dbraw/zinc/93/41/83/388934183.db2.gz RSWMCOZFNHIYJO-UHFFFAOYSA-N 1 2 266.345 0.848 20 30 CCEDLO C#CC[N@@H+](CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538182 388945742 /nfs/dbraw/zinc/94/57/42/388945742.db2.gz JDVUYUPIBLHVTE-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538182 388945745 /nfs/dbraw/zinc/94/57/45/388945745.db2.gz JDVUYUPIBLHVTE-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](C)CCCNc1nc2[nH]ncc2c(=O)[nH]1 ZINC000292780396 388957047 /nfs/dbraw/zinc/95/70/47/388957047.db2.gz LTHUTCOFUWQZFW-UHFFFAOYSA-N 1 2 260.301 0.426 20 30 CCEDLO C#CC[N@@H+](C)CCCNc1nc2[nH]ncc2c(=O)[nH]1 ZINC000292780396 388957051 /nfs/dbraw/zinc/95/70/51/388957051.db2.gz LTHUTCOFUWQZFW-UHFFFAOYSA-N 1 2 260.301 0.426 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000293174350 388979617 /nfs/dbraw/zinc/97/96/17/388979617.db2.gz PIYQHABIOGCIJR-ZDUSSCGKSA-N 1 2 280.368 0.886 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000293174350 388979621 /nfs/dbraw/zinc/97/96/21/388979621.db2.gz PIYQHABIOGCIJR-ZDUSSCGKSA-N 1 2 280.368 0.886 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190210515 388984793 /nfs/dbraw/zinc/98/47/93/388984793.db2.gz WRQXVMFIAZLQEH-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190210515 388984796 /nfs/dbraw/zinc/98/47/96/388984796.db2.gz WRQXVMFIAZLQEH-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000192227041 389029845 /nfs/dbraw/zinc/02/98/45/389029845.db2.gz ODRPZRRLPXPNKI-UHFFFAOYSA-N 1 2 287.363 0.456 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000192227041 389029846 /nfs/dbraw/zinc/02/98/46/389029846.db2.gz ODRPZRRLPXPNKI-UHFFFAOYSA-N 1 2 287.363 0.456 20 30 CCEDLO O=C1NC[C@@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000192062594 389025265 /nfs/dbraw/zinc/02/52/65/389025265.db2.gz IKDOTKPDAKTQOF-CQSZACIVSA-N 1 2 255.321 0.748 20 30 CCEDLO O=C1NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000192062594 389025269 /nfs/dbraw/zinc/02/52/69/389025269.db2.gz IKDOTKPDAKTQOF-CQSZACIVSA-N 1 2 255.321 0.748 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337199273 389053092 /nfs/dbraw/zinc/05/30/92/389053092.db2.gz YQYJRSYIUREBGC-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337199273 389053098 /nfs/dbraw/zinc/05/30/98/389053098.db2.gz YQYJRSYIUREBGC-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@@](=O)CC[C@H]2C)C1=O ZINC000337220314 389056530 /nfs/dbraw/zinc/05/65/30/389056530.db2.gz BYCDKMQRFUVDLV-SOZUMNATSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@@](=O)CC[C@H]2C)C1=O ZINC000337220314 389056533 /nfs/dbraw/zinc/05/65/33/389056533.db2.gz BYCDKMQRFUVDLV-SOZUMNATSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCNC(=O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000302018042 389062572 /nfs/dbraw/zinc/06/25/72/389062572.db2.gz CWUQQSKGGFZDDR-UHFFFAOYSA-N 1 2 257.297 0.926 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000106328898 389091298 /nfs/dbraw/zinc/09/12/98/389091298.db2.gz DUROGIMPUDEFMA-LBPRGKRZSA-N 1 2 285.307 0.768 20 30 CCEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121345234 389147002 /nfs/dbraw/zinc/14/70/02/389147002.db2.gz SDSVOVQXVRBTBX-MNOVXSKESA-N 1 2 279.340 0.924 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000328947904 389147153 /nfs/dbraw/zinc/14/71/53/389147153.db2.gz BPWPTJQRABSPGX-KOLCDFICSA-N 1 2 294.355 0.714 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000328947904 389147157 /nfs/dbraw/zinc/14/71/57/389147157.db2.gz BPWPTJQRABSPGX-KOLCDFICSA-N 1 2 294.355 0.714 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000194864723 389107273 /nfs/dbraw/zinc/10/72/73/389107273.db2.gz PDPFRMNJLMQSSP-LBPRGKRZSA-N 1 2 283.372 0.841 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000194864723 389107274 /nfs/dbraw/zinc/10/72/74/389107274.db2.gz PDPFRMNJLMQSSP-LBPRGKRZSA-N 1 2 283.372 0.841 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377419 389110142 /nfs/dbraw/zinc/11/01/42/389110142.db2.gz AETDLAYWIUQFMJ-MELADBBJSA-N 1 2 280.368 0.675 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377419 389110145 /nfs/dbraw/zinc/11/01/45/389110145.db2.gz AETDLAYWIUQFMJ-MELADBBJSA-N 1 2 280.368 0.675 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338592409 389112695 /nfs/dbraw/zinc/11/26/95/389112695.db2.gz ZNMUJXYFEDKTAE-GXTWGEPZSA-N 1 2 270.348 0.982 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338592409 389112697 /nfs/dbraw/zinc/11/26/97/389112697.db2.gz ZNMUJXYFEDKTAE-GXTWGEPZSA-N 1 2 270.348 0.982 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000338910719 389118687 /nfs/dbraw/zinc/11/86/87/389118687.db2.gz ZIKNAIZGIAEJSP-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000339000065 389120565 /nfs/dbraw/zinc/12/05/65/389120565.db2.gz TUTXCFHRMQKUPR-CYBMUJFWSA-N 1 2 296.415 0.795 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000339000065 389120567 /nfs/dbraw/zinc/12/05/67/389120567.db2.gz TUTXCFHRMQKUPR-CYBMUJFWSA-N 1 2 296.415 0.795 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000339015670 389121186 /nfs/dbraw/zinc/12/11/86/389121186.db2.gz WKFMGKGDIQTZEG-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000328607474 389129162 /nfs/dbraw/zinc/12/91/62/389129162.db2.gz LGELVMIWKIUOKW-NWDGAFQWSA-N 1 2 289.339 0.899 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(C(F)F)CC2)C1 ZINC000328701678 389132708 /nfs/dbraw/zinc/13/27/08/389132708.db2.gz JGZBXBDQPCGFKU-QMMMGPOBSA-N 1 2 263.288 0.618 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NC2(C(F)F)CC2)C1 ZINC000328701678 389132711 /nfs/dbraw/zinc/13/27/11/389132711.db2.gz JGZBXBDQPCGFKU-QMMMGPOBSA-N 1 2 263.288 0.618 20 30 CCEDLO Cn1nnc2c1nccc2C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328728458 389134028 /nfs/dbraw/zinc/13/40/28/389134028.db2.gz GURJVJKCSNNICX-SECBINFHSA-N 1 2 297.322 0.879 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339532421 389135071 /nfs/dbraw/zinc/13/50/71/389135071.db2.gz RQSDRPUUQMKHKK-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO C[C@H](CNC(=O)CN1CCCCC1=O)[NH+]1CCN(C)CC1 ZINC000328764860 389137262 /nfs/dbraw/zinc/13/72/62/389137262.db2.gz GOKCDZIVYJNOLR-CYBMUJFWSA-N 1 2 296.415 0.591 20 30 CCEDLO Cc1cn2cc(NC(=O)N3CC(=O)N(C)C3)ccc2[nH+]1 ZINC000329698350 389189621 /nfs/dbraw/zinc/18/96/21/389189621.db2.gz YVMOSEQGIYLICA-UHFFFAOYSA-N 1 2 273.296 0.920 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000129571403 389189998 /nfs/dbraw/zinc/18/99/98/389189998.db2.gz OMPCJSLSVFNVJR-SECBINFHSA-N 1 2 252.318 0.551 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000129571403 389190001 /nfs/dbraw/zinc/19/00/01/389190001.db2.gz OMPCJSLSVFNVJR-SECBINFHSA-N 1 2 252.318 0.551 20 30 CCEDLO [O-]C(=[NH+]C[C@H]1COCCO1)N1CCn2c[nH+]cc2C1 ZINC000329701984 389190654 /nfs/dbraw/zinc/19/06/54/389190654.db2.gz HQRFGWJAWIVTCN-NSHDSACASA-N 1 2 266.301 0.028 20 30 CCEDLO O=C(NC[C@H]1COCCO1)N1CCn2c[nH+]cc2C1 ZINC000329701984 389190656 /nfs/dbraw/zinc/19/06/56/389190656.db2.gz HQRFGWJAWIVTCN-NSHDSACASA-N 1 2 266.301 0.028 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CO ZINC000329738958 389194829 /nfs/dbraw/zinc/19/48/29/389194829.db2.gz NBQRRAMMTVFENR-UWVGGRQHSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CO ZINC000329738958 389194832 /nfs/dbraw/zinc/19/48/32/389194832.db2.gz NBQRRAMMTVFENR-UWVGGRQHSA-N 1 2 264.329 0.638 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000329755730 389196702 /nfs/dbraw/zinc/19/67/02/389196702.db2.gz LTVOFIAIVSWCTI-YRGRVCCFSA-N 1 2 285.388 0.778 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329762908 389198101 /nfs/dbraw/zinc/19/81/01/389198101.db2.gz TVNFDNUJLGXGMX-GVXVVHGQSA-N 1 2 271.361 0.388 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329762908 389198103 /nfs/dbraw/zinc/19/81/03/389198103.db2.gz TVNFDNUJLGXGMX-GVXVVHGQSA-N 1 2 271.361 0.388 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000329792883 389201737 /nfs/dbraw/zinc/20/17/37/389201737.db2.gz VIGSWXXURJEOJF-QNWHQSFQSA-N 1 2 284.356 0.325 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000329792883 389201740 /nfs/dbraw/zinc/20/17/40/389201740.db2.gz VIGSWXXURJEOJF-QNWHQSFQSA-N 1 2 284.356 0.325 20 30 CCEDLO CN1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1=O ZINC000329280343 389154412 /nfs/dbraw/zinc/15/44/12/389154412.db2.gz LZVLFYJFGALGNV-QWHCGFSZSA-N 1 2 295.383 0.817 20 30 CCEDLO CN1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1=O ZINC000329280343 389154415 /nfs/dbraw/zinc/15/44/15/389154415.db2.gz LZVLFYJFGALGNV-QWHCGFSZSA-N 1 2 295.383 0.817 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCCSC1 ZINC000329357824 389159876 /nfs/dbraw/zinc/15/98/76/389159876.db2.gz HIZIRHQSGWAZOI-LBPRGKRZSA-N 1 2 287.429 0.965 20 30 CCEDLO C[C@H](C(=O)N[C@@]1(CO)CCOC1)[NH+]1CCSCC1 ZINC000329473103 389165968 /nfs/dbraw/zinc/16/59/68/389165968.db2.gz ZNXVNSRJBIHENS-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127003848 389172795 /nfs/dbraw/zinc/17/27/95/389172795.db2.gz DFSSIKITMKKUBO-GFCCVEGCSA-N 1 2 279.384 0.786 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127003848 389172797 /nfs/dbraw/zinc/17/27/97/389172797.db2.gz DFSSIKITMKKUBO-GFCCVEGCSA-N 1 2 279.384 0.786 20 30 CCEDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1snnc1C1CC1 ZINC000329603374 389174814 /nfs/dbraw/zinc/17/48/14/389174814.db2.gz YKSQNNXEDHCUFU-JTQLQIEISA-N 1 2 293.396 0.720 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000247680144 389241769 /nfs/dbraw/zinc/24/17/69/389241769.db2.gz ZPEXOKPUCJKGSB-RYUDHWBXSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000247680144 389241773 /nfs/dbraw/zinc/24/17/73/389241773.db2.gz ZPEXOKPUCJKGSB-RYUDHWBXSA-N 1 2 257.330 0.577 20 30 CCEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330573710 389242650 /nfs/dbraw/zinc/24/26/50/389242650.db2.gz NWLJMYVEFRYBAG-NSHDSACASA-N 1 2 293.371 0.825 20 30 CCEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000330596873 389244902 /nfs/dbraw/zinc/24/49/02/389244902.db2.gz YQAIGWOYHGPBED-ZJUUUORDSA-N 1 2 279.344 0.338 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134549814 389247238 /nfs/dbraw/zinc/24/72/38/389247238.db2.gz HNADFBSPPUFMOY-UHFFFAOYSA-N 1 2 285.373 0.295 20 30 CCEDLO CC#CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000135192045 389254236 /nfs/dbraw/zinc/25/42/36/389254236.db2.gz BYFBDMBPTMESEY-CQSZACIVSA-N 1 2 297.424 0.517 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135589374 389260098 /nfs/dbraw/zinc/26/00/98/389260098.db2.gz YMDUJQGVFWYBJK-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135589374 389260101 /nfs/dbraw/zinc/26/01/01/389260101.db2.gz YMDUJQGVFWYBJK-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330955146 389262568 /nfs/dbraw/zinc/26/25/68/389262568.db2.gz MNPSKAAIFROSEU-ZDUSSCGKSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330955146 389262571 /nfs/dbraw/zinc/26/25/71/389262571.db2.gz MNPSKAAIFROSEU-ZDUSSCGKSA-N 1 2 297.355 0.950 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCc2sccc2C1 ZINC000136067433 389264553 /nfs/dbraw/zinc/26/45/53/389264553.db2.gz UYRDULARTDFFFJ-UHFFFAOYSA-N 1 2 283.353 0.304 20 30 CCEDLO CCN(C)C(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000130599084 389208476 /nfs/dbraw/zinc/20/84/76/389208476.db2.gz CHDUAGIZATXDPL-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO CCN(C)C(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000130599084 389208478 /nfs/dbraw/zinc/20/84/78/389208478.db2.gz CHDUAGIZATXDPL-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO CCN(C)C(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000130599084 389208481 /nfs/dbraw/zinc/20/84/81/389208481.db2.gz CHDUAGIZATXDPL-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136211132 389265148 /nfs/dbraw/zinc/26/51/48/389265148.db2.gz BVUHBYODMJSXRY-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccnc3)C[C@H]21 ZINC000329922781 389211675 /nfs/dbraw/zinc/21/16/75/389211675.db2.gz UDNFFKVLQRXOJX-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccnc3)C[C@H]21 ZINC000329922781 389211676 /nfs/dbraw/zinc/21/16/76/389211676.db2.gz UDNFFKVLQRXOJX-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO C[C@H](CC#N)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000245937396 389221158 /nfs/dbraw/zinc/22/11/58/389221158.db2.gz JIQSDCWDCXIZNG-CLLJXQQHSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000245937396 389221160 /nfs/dbraw/zinc/22/11/60/389221160.db2.gz JIQSDCWDCXIZNG-CLLJXQQHSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000245937396 389221161 /nfs/dbraw/zinc/22/11/61/389221161.db2.gz JIQSDCWDCXIZNG-CLLJXQQHSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000245937396 389221162 /nfs/dbraw/zinc/22/11/62/389221162.db2.gz JIQSDCWDCXIZNG-CLLJXQQHSA-N 1 2 252.362 0.815 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246159782 389224730 /nfs/dbraw/zinc/22/47/30/389224730.db2.gz UKBFXVWIHYGIBQ-JGVFFNPUSA-N 1 2 254.252 0.532 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246159782 389224733 /nfs/dbraw/zinc/22/47/33/389224733.db2.gz UKBFXVWIHYGIBQ-JGVFFNPUSA-N 1 2 254.252 0.532 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCCNC1=O ZINC000330435545 389228711 /nfs/dbraw/zinc/22/87/11/389228711.db2.gz OZHUFSNMGHJTEF-LLVKDONJSA-N 1 2 291.355 0.430 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000364450147 389266318 /nfs/dbraw/zinc/26/63/18/389266318.db2.gz UPOGLGRNPSVPLX-KGLIPLIRSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000364450147 389266321 /nfs/dbraw/zinc/26/63/21/389266321.db2.gz UPOGLGRNPSVPLX-KGLIPLIRSA-N 1 2 287.319 0.728 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330461175 389231573 /nfs/dbraw/zinc/23/15/73/389231573.db2.gz LHFJUWRIHBIQBZ-CHWSQXEVSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330461175 389231574 /nfs/dbraw/zinc/23/15/74/389231574.db2.gz LHFJUWRIHBIQBZ-CHWSQXEVSA-N 1 2 277.299 0.573 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330470347 389233251 /nfs/dbraw/zinc/23/32/51/389233251.db2.gz VWOSKVXQLFUWED-UHFFFAOYSA-N 1 2 281.360 0.713 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330470347 389233254 /nfs/dbraw/zinc/23/32/54/389233254.db2.gz VWOSKVXQLFUWED-UHFFFAOYSA-N 1 2 281.360 0.713 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330483850 389234398 /nfs/dbraw/zinc/23/43/98/389234398.db2.gz VVCWXCZTYKCQSM-JTQLQIEISA-N 1 2 267.333 0.323 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330483850 389234401 /nfs/dbraw/zinc/23/44/01/389234401.db2.gz VVCWXCZTYKCQSM-JTQLQIEISA-N 1 2 267.333 0.323 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247393025 389239534 /nfs/dbraw/zinc/23/95/34/389239534.db2.gz QNQCADXFNHKDKX-HZSPNIEDSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247393025 389239536 /nfs/dbraw/zinc/23/95/36/389239536.db2.gz QNQCADXFNHKDKX-HZSPNIEDSA-N 1 2 295.383 0.627 20 30 CCEDLO O=C1CO[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2N1 ZINC000366792241 389310942 /nfs/dbraw/zinc/31/09/42/389310942.db2.gz TUVROZSWBQTLRS-HUUCEWRRSA-N 1 2 288.322 0.767 20 30 CCEDLO O=C1CO[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2N1 ZINC000366792241 389310945 /nfs/dbraw/zinc/31/09/45/389310945.db2.gz TUVROZSWBQTLRS-HUUCEWRRSA-N 1 2 288.322 0.767 20 30 CCEDLO COC(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000345686603 389312371 /nfs/dbraw/zinc/31/23/71/389312371.db2.gz XVVOUWDNWFJQMS-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO CC#CCC[N@@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155066599 389316637 /nfs/dbraw/zinc/31/66/37/389316637.db2.gz OTZRMGBMQCXUPC-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CCC[N@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155066599 389316639 /nfs/dbraw/zinc/31/66/39/389316639.db2.gz OTZRMGBMQCXUPC-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155999137 389323696 /nfs/dbraw/zinc/32/36/96/389323696.db2.gz AXLUNTDFRIWYJZ-UHFFFAOYSA-N 1 2 270.398 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157422438 389331618 /nfs/dbraw/zinc/33/16/18/389331618.db2.gz MEBBBCPPJXLITN-MJBXVCDLSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157422438 389331619 /nfs/dbraw/zinc/33/16/19/389331619.db2.gz MEBBBCPPJXLITN-MJBXVCDLSA-N 1 2 297.399 0.466 20 30 CCEDLO C(#CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000367456804 389332221 /nfs/dbraw/zinc/33/22/21/389332221.db2.gz CXZRBZHYKDBNLX-GEEKYZPCSA-N 1 2 276.380 0.716 20 30 CCEDLO C(#CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000367456804 389332225 /nfs/dbraw/zinc/33/22/25/389332225.db2.gz CXZRBZHYKDBNLX-GEEKYZPCSA-N 1 2 276.380 0.716 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000157665605 389332962 /nfs/dbraw/zinc/33/29/62/389332962.db2.gz QWGHEMYDFGQYOI-QWRGUYRKSA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000157665605 389332964 /nfs/dbraw/zinc/33/29/64/389332964.db2.gz QWGHEMYDFGQYOI-QWRGUYRKSA-N 1 2 266.345 0.868 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000346892030 389340446 /nfs/dbraw/zinc/34/04/46/389340446.db2.gz UAVWYVODVWNPKJ-GHMZBOCLSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](NC(=O)NCCCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000343764147 389272399 /nfs/dbraw/zinc/27/23/99/389272399.db2.gz UXLBLKCMZVBJKU-VXGBXAGGSA-N 1 2 268.361 0.699 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153554542 389303259 /nfs/dbraw/zinc/30/32/59/389303259.db2.gz OJNACXRHIODZCP-LLVKDONJSA-N 1 2 275.343 0.950 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153554542 389303260 /nfs/dbraw/zinc/30/32/60/389303260.db2.gz OJNACXRHIODZCP-LLVKDONJSA-N 1 2 275.343 0.950 20 30 CCEDLO N#CCN1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000266737834 389366901 /nfs/dbraw/zinc/36/69/01/389366901.db2.gz VTDGQHZCWHDDRH-UHFFFAOYSA-N 1 2 296.334 0.549 20 30 CCEDLO Cc1cc(=NC(=O)NCc2[nH+]ccn2C)[nH]n1CCC#N ZINC000348208982 389371101 /nfs/dbraw/zinc/37/11/01/389371101.db2.gz VSOXSDDSBVJOBC-UHFFFAOYSA-N 1 2 287.327 0.582 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000332816383 389374961 /nfs/dbraw/zinc/37/49/61/389374961.db2.gz GKHZDBZEVRVJJA-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000332816383 389374967 /nfs/dbraw/zinc/37/49/67/389374967.db2.gz GKHZDBZEVRVJJA-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238496 389408530 /nfs/dbraw/zinc/40/85/30/389408530.db2.gz KCKGYSSKOXMEAU-DTWKUNHWSA-N 1 2 266.301 0.726 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238495 389408750 /nfs/dbraw/zinc/40/87/50/389408750.db2.gz KCKGYSSKOXMEAU-BDAKNGLRSA-N 1 2 266.301 0.726 20 30 CCEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1[nH+]ccn1C ZINC000161961786 389411774 /nfs/dbraw/zinc/41/17/74/389411774.db2.gz UXVCAIAJLLAQKS-UHFFFAOYSA-N 1 2 288.355 0.508 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000408400989 389346636 /nfs/dbraw/zinc/34/66/36/389346636.db2.gz ZLHPLKPBDXKOBR-NWDGAFQWSA-N 1 2 265.357 0.858 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000408400989 389346639 /nfs/dbraw/zinc/34/66/39/389346639.db2.gz ZLHPLKPBDXKOBR-NWDGAFQWSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cncnc2C1 ZINC000332733003 389361944 /nfs/dbraw/zinc/36/19/44/389361944.db2.gz WOSKYTRLKRIYCV-JTQLQIEISA-N 1 2 289.339 0.235 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cncnc2C1 ZINC000332733003 389361947 /nfs/dbraw/zinc/36/19/47/389361947.db2.gz WOSKYTRLKRIYCV-JTQLQIEISA-N 1 2 289.339 0.235 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412080503 389474255 /nfs/dbraw/zinc/47/42/55/389474255.db2.gz RBHZFHAOHJGGPT-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412080503 389474258 /nfs/dbraw/zinc/47/42/58/389474258.db2.gz RBHZFHAOHJGGPT-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000273135269 389474974 /nfs/dbraw/zinc/47/49/74/389474974.db2.gz VRRMLSLMMWEIOS-VIFPVBQESA-N 1 2 288.311 0.060 20 30 CCEDLO N#Cc1ncccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000274103453 389484440 /nfs/dbraw/zinc/48/44/40/389484440.db2.gz SUPIKGINOVIMLL-NSHDSACASA-N 1 2 262.313 0.058 20 30 CCEDLO Cn1ncc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c1C#N ZINC000350137781 389491645 /nfs/dbraw/zinc/49/16/45/389491645.db2.gz YLMYLBMBFLBLPQ-LLVKDONJSA-N 1 2 285.311 0.014 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373730989 389511098 /nfs/dbraw/zinc/51/10/98/389511098.db2.gz YDEYDEWRWBTFPN-QWRGUYRKSA-N 1 2 260.297 0.196 20 30 CCEDLO N#CCNC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000351064617 389563618 /nfs/dbraw/zinc/56/36/18/389563618.db2.gz PBCCOCFIVBKFKL-UHFFFAOYSA-N 1 2 295.346 0.870 20 30 CCEDLO C=C1CC[NH+](CC(=O)N[C@@H](C(=O)OC)C(C)C)CC1 ZINC000351492763 389592687 /nfs/dbraw/zinc/59/26/87/389592687.db2.gz SSOOSLOUKZQPKM-CYBMUJFWSA-N 1 2 268.357 0.952 20 30 CCEDLO CC[C@@H](C)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000178024886 389596349 /nfs/dbraw/zinc/59/63/49/389596349.db2.gz KPFMSMYVTIXYGR-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@@](C)(C(N)=O)c2ccccc2)C1=O ZINC000282017662 389646164 /nfs/dbraw/zinc/64/61/64/389646164.db2.gz OXDPFWAVHAZRJW-CZUORRHYSA-N 1 2 287.363 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C)C1=O ZINC000281138853 389608704 /nfs/dbraw/zinc/60/87/04/389608704.db2.gz DNZZAEZWOZXZHP-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C)C1=O ZINC000281138853 389608706 /nfs/dbraw/zinc/60/87/06/389608706.db2.gz DNZZAEZWOZXZHP-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000182872446 389719477 /nfs/dbraw/zinc/71/94/77/389719477.db2.gz ORKOWYGHIOREFW-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cnn(C)c3)CC2)C1=O ZINC000282120883 389656572 /nfs/dbraw/zinc/65/65/72/389656572.db2.gz XVGMVXITEKWTMV-CQSZACIVSA-N 1 2 289.383 0.329 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000426856336 389679390 /nfs/dbraw/zinc/67/93/90/389679390.db2.gz AYFXMYJDRCMUOV-UPJWGTAASA-N 1 2 270.373 0.539 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000426856336 389679392 /nfs/dbraw/zinc/67/93/92/389679392.db2.gz AYFXMYJDRCMUOV-UPJWGTAASA-N 1 2 270.373 0.539 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416666865 389765129 /nfs/dbraw/zinc/76/51/29/389765129.db2.gz PJPXWGCLCOSSRM-OLZOCXBDSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416666865 389765130 /nfs/dbraw/zinc/76/51/30/389765130.db2.gz PJPXWGCLCOSSRM-OLZOCXBDSA-N 1 2 290.429 0.669 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H]1O ZINC000395361881 389777250 /nfs/dbraw/zinc/77/72/50/389777250.db2.gz QSSBLTFAMACSQF-VXGBXAGGSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1O ZINC000395361881 389777252 /nfs/dbraw/zinc/77/72/52/389777252.db2.gz QSSBLTFAMACSQF-VXGBXAGGSA-N 1 2 250.273 0.889 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000416429171 389742028 /nfs/dbraw/zinc/74/20/28/389742028.db2.gz UYRQGACGWGIIRI-CMPLNLGQSA-N 1 2 281.337 0.777 20 30 CCEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCC#N ZINC000429265949 389747553 /nfs/dbraw/zinc/74/75/53/389747553.db2.gz HXMZBLLIPPTLQI-LBPRGKRZSA-N 1 2 290.342 0.976 20 30 CCEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCC#N ZINC000429265949 389747555 /nfs/dbraw/zinc/74/75/55/389747555.db2.gz HXMZBLLIPPTLQI-LBPRGKRZSA-N 1 2 290.342 0.976 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352467481 389815578 /nfs/dbraw/zinc/81/55/78/389815578.db2.gz LBASWJCHCBVFPW-NSHDSACASA-N 1 2 294.359 0.114 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483801 389817963 /nfs/dbraw/zinc/81/79/63/389817963.db2.gz JQFZTGLJRWPERI-JTQLQIEISA-N 1 2 282.319 0.714 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492943846 390118653 /nfs/dbraw/zinc/11/86/53/390118653.db2.gz CBOCOGFZCIZTCE-KRZKBDHCSA-N 1 2 261.325 0.807 20 30 CCEDLO COCC[N@H+](CCO)Cc1cccc(C(=O)OC)c1C#N ZINC000534472087 390128974 /nfs/dbraw/zinc/12/89/74/390128974.db2.gz GJGFHEBHCCMZHO-UHFFFAOYSA-N 1 2 292.335 0.786 20 30 CCEDLO COCC[N@@H+](CCO)Cc1cccc(C(=O)OC)c1C#N ZINC000534472087 390128975 /nfs/dbraw/zinc/12/89/75/390128975.db2.gz GJGFHEBHCCMZHO-UHFFFAOYSA-N 1 2 292.335 0.786 20 30 CCEDLO C=CCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000493959589 390136851 /nfs/dbraw/zinc/13/68/51/390136851.db2.gz FALPTNHELBXECC-GFCCVEGCSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000493959589 390136852 /nfs/dbraw/zinc/13/68/52/390136852.db2.gz FALPTNHELBXECC-GFCCVEGCSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216200 390158604 /nfs/dbraw/zinc/15/86/04/390158604.db2.gz MZONXUQNLXMSIS-GXTWGEPZSA-N 1 2 297.399 0.333 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494216200 390158606 /nfs/dbraw/zinc/15/86/06/390158606.db2.gz MZONXUQNLXMSIS-GXTWGEPZSA-N 1 2 297.399 0.333 20 30 CCEDLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522953 390364115 /nfs/dbraw/zinc/36/41/15/390364115.db2.gz UISWVYUCRNFAPU-NSHDSACASA-N 1 2 254.721 0.924 20 30 CCEDLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522953 390364117 /nfs/dbraw/zinc/36/41/17/390364117.db2.gz UISWVYUCRNFAPU-NSHDSACASA-N 1 2 254.721 0.924 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000644783435 390312794 /nfs/dbraw/zinc/31/27/94/390312794.db2.gz PSWJKMHHZPQRGI-GFCCVEGCSA-N 1 2 261.387 0.680 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2[C@H](C)C2(F)F)c1C#N ZINC000545188851 390317711 /nfs/dbraw/zinc/31/77/11/390317711.db2.gz NCCSMAWRGOEIAU-XVKPBYJWSA-N 1 2 297.309 0.695 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016898 390362512 /nfs/dbraw/zinc/36/25/12/390362512.db2.gz VWCJAVKKFUVEPB-LBPRGKRZSA-N 1 2 284.381 0.703 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016898 390362514 /nfs/dbraw/zinc/36/25/14/390362514.db2.gz VWCJAVKKFUVEPB-LBPRGKRZSA-N 1 2 284.381 0.703 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000592120934 390362880 /nfs/dbraw/zinc/36/28/80/390362880.db2.gz LJMMRDVJTXUFIK-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000592120934 390362883 /nfs/dbraw/zinc/36/28/83/390362883.db2.gz LJMMRDVJTXUFIK-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000645404763 390421673 /nfs/dbraw/zinc/42/16/73/390421673.db2.gz MNLHHPIGHBSBRE-LBPRGKRZSA-N 1 2 276.340 0.499 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000645404763 390421675 /nfs/dbraw/zinc/42/16/75/390421675.db2.gz MNLHHPIGHBSBRE-LBPRGKRZSA-N 1 2 276.340 0.499 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cc2ccccc2n1 ZINC000564091042 390494743 /nfs/dbraw/zinc/49/47/43/390494743.db2.gz ZLEQXTAANCRXKO-HNNXBMFYSA-N 1 2 285.351 0.996 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2oc(=O)oc2c1 ZINC000565063291 390499384 /nfs/dbraw/zinc/49/93/84/390499384.db2.gz WRVXHEXFFULITP-SNVBAGLBSA-N 1 2 292.291 0.971 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2oc(=O)oc2c1 ZINC000565063291 390499389 /nfs/dbraw/zinc/49/93/89/390499389.db2.gz WRVXHEXFFULITP-SNVBAGLBSA-N 1 2 292.291 0.971 20 30 CCEDLO C=CCn1cc(C(=O)NCc2[nH+]ccn2CC)nn1 ZINC000648920197 390445075 /nfs/dbraw/zinc/44/50/75/390445075.db2.gz QWDUHDSVDHEKAW-UHFFFAOYSA-N 1 2 260.301 0.611 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000566426761 390604035 /nfs/dbraw/zinc/60/40/35/390604035.db2.gz WPAHZLRPIXLPCV-WFASDCNBSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000566426761 390604037 /nfs/dbraw/zinc/60/40/37/390604037.db2.gz WPAHZLRPIXLPCV-WFASDCNBSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000646642071 390702361 /nfs/dbraw/zinc/70/23/61/390702361.db2.gz ZEMCJXVYHVSPPS-LBPRGKRZSA-N 1 2 277.324 0.081 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000570393428 390718416 /nfs/dbraw/zinc/71/84/16/390718416.db2.gz HNFBDQHDXLHVHC-JSGCOSHPSA-N 1 2 297.424 0.955 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000570393428 390718418 /nfs/dbraw/zinc/71/84/18/390718418.db2.gz HNFBDQHDXLHVHC-JSGCOSHPSA-N 1 2 297.424 0.955 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570825208 390720159 /nfs/dbraw/zinc/72/01/59/390720159.db2.gz SLHHNNDOEPEORC-SECBINFHSA-N 1 2 250.302 0.007 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570825208 390720161 /nfs/dbraw/zinc/72/01/61/390720161.db2.gz SLHHNNDOEPEORC-SECBINFHSA-N 1 2 250.302 0.007 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000525949735 390671614 /nfs/dbraw/zinc/67/16/14/390671614.db2.gz RQVVATIUOSWBPP-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000525949735 390671617 /nfs/dbraw/zinc/67/16/17/390671617.db2.gz RQVVATIUOSWBPP-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO Cc1cc(NCCNc2ccc(C#N)nn2)nc(C(C)C)[nH+]1 ZINC000528158776 390734385 /nfs/dbraw/zinc/73/43/85/390734385.db2.gz URBMPSXFECMQMR-UHFFFAOYSA-N 1 2 297.366 0.938 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cn1 ZINC000529287851 390802189 /nfs/dbraw/zinc/80/21/89/390802189.db2.gz XMCJIHIJAWIJRQ-OAHLLOKOSA-N 1 2 299.378 0.002 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cn1 ZINC000529287851 390802190 /nfs/dbraw/zinc/80/21/90/390802190.db2.gz XMCJIHIJAWIJRQ-OAHLLOKOSA-N 1 2 299.378 0.002 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000530278389 390875930 /nfs/dbraw/zinc/87/59/30/390875930.db2.gz XRDUESHTLHYFAT-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000530278389 390875932 /nfs/dbraw/zinc/87/59/32/390875932.db2.gz XRDUESHTLHYFAT-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000531192541 390877717 /nfs/dbraw/zinc/87/77/17/390877717.db2.gz XSXQVULFBFFDIJ-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000531192541 390877719 /nfs/dbraw/zinc/87/77/19/390877719.db2.gz XSXQVULFBFFDIJ-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CCCCC1 ZINC000573047775 390819791 /nfs/dbraw/zinc/81/97/91/390819791.db2.gz LVQZDPYNSAUVKO-QWHCGFSZSA-N 1 2 295.383 0.004 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CCCCC1 ZINC000573047775 390819797 /nfs/dbraw/zinc/81/97/97/390819797.db2.gz LVQZDPYNSAUVKO-QWHCGFSZSA-N 1 2 295.383 0.004 20 30 CCEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000578545598 390891721 /nfs/dbraw/zinc/89/17/21/390891721.db2.gz WXBMBQBJPKZSIQ-GFCCVEGCSA-N 1 2 280.372 0.300 20 30 CCEDLO Cn1ncc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000356380014 143997153 /nfs/dbraw/zinc/99/71/53/143997153.db2.gz BNFFJEYZQRXTFL-GFCCVEGCSA-N 1 2 297.318 0.980 20 30 CCEDLO COC(=O)c1cccc(C[NH2+]C2(C(N)=O)CC2)c1C#N ZINC000544440390 285830071 /nfs/dbraw/zinc/83/00/71/285830071.db2.gz HUXIDFSSWMUYKQ-UHFFFAOYSA-N 1 2 273.292 0.452 20 30 CCEDLO C[C@H](Nc1ccncc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000548152911 286011352 /nfs/dbraw/zinc/01/13/52/286011352.db2.gz KFUIGAQONSYTRK-RYUDHWBXSA-N 1 2 260.341 0.896 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1ccncc1C#N ZINC000548480270 286041493 /nfs/dbraw/zinc/04/14/93/286041493.db2.gz VBIMPLZZQBMNTE-UHFFFAOYSA-N 1 2 260.341 0.898 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1ccncc1C#N ZINC000548480270 286041494 /nfs/dbraw/zinc/04/14/94/286041494.db2.gz VBIMPLZZQBMNTE-UHFFFAOYSA-N 1 2 260.341 0.898 20 30 CCEDLO COCC#CC[N@@H+](CCOC)C[C@H](O)C(F)(F)F ZINC000653788083 412348051 /nfs/dbraw/zinc/34/80/51/412348051.db2.gz NCEFDVNUNKQRJF-JTQLQIEISA-N 1 2 269.263 0.508 20 30 CCEDLO COCC#CC[N@H+](CCOC)C[C@H](O)C(F)(F)F ZINC000653788083 412348052 /nfs/dbraw/zinc/34/80/52/412348052.db2.gz NCEFDVNUNKQRJF-JTQLQIEISA-N 1 2 269.263 0.508 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654982839 412456481 /nfs/dbraw/zinc/45/64/81/412456481.db2.gz IFMHEJDEWGBIIV-GHMZBOCLSA-N 1 2 251.330 0.889 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654982839 412456484 /nfs/dbraw/zinc/45/64/84/412456484.db2.gz IFMHEJDEWGBIIV-GHMZBOCLSA-N 1 2 251.330 0.889 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000660856327 414510041 /nfs/dbraw/zinc/51/00/41/414510041.db2.gz ITOSOEFXFLHGQO-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000660856327 414510045 /nfs/dbraw/zinc/51/00/45/414510045.db2.gz ITOSOEFXFLHGQO-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)C[C@@H]2COCCO2)nn1 ZINC000661613309 414653952 /nfs/dbraw/zinc/65/39/52/414653952.db2.gz IKVLYWVVTHCLJL-CYBMUJFWSA-N 1 2 266.345 0.701 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)C[C@@H]2COCCO2)nn1 ZINC000661613309 414653954 /nfs/dbraw/zinc/65/39/54/414653954.db2.gz IKVLYWVVTHCLJL-CYBMUJFWSA-N 1 2 266.345 0.701 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000171732171 335076347 /nfs/dbraw/zinc/07/63/47/335076347.db2.gz AYQYVOVFJUGLCA-UHFFFAOYSA-N 1 2 262.269 0.666 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000171732171 335076348 /nfs/dbraw/zinc/07/63/48/335076348.db2.gz AYQYVOVFJUGLCA-UHFFFAOYSA-N 1 2 262.269 0.666 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329017836 227259369 /nfs/dbraw/zinc/25/93/69/227259369.db2.gz GWDALQQUCINGDW-UPJWGTAASA-N 1 2 295.383 0.817 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329017836 227259373 /nfs/dbraw/zinc/25/93/73/227259373.db2.gz GWDALQQUCINGDW-UPJWGTAASA-N 1 2 295.383 0.817 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000329184292 227342403 /nfs/dbraw/zinc/34/24/03/227342403.db2.gz PDFABLWBCFTUBD-NEPJUHHUSA-N 1 2 271.361 0.390 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330334156 228154662 /nfs/dbraw/zinc/15/46/62/228154662.db2.gz QKEFVDGMPSOZGX-AGIUHOORSA-N 1 2 284.404 0.161 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330334156 228154663 /nfs/dbraw/zinc/15/46/63/228154663.db2.gz QKEFVDGMPSOZGX-AGIUHOORSA-N 1 2 284.404 0.161 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330337509 228156173 /nfs/dbraw/zinc/15/61/73/228156173.db2.gz ZZTWSWYSGQKRJH-GFCCVEGCSA-N 1 2 294.355 0.919 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330337509 228156174 /nfs/dbraw/zinc/15/61/74/228156174.db2.gz ZZTWSWYSGQKRJH-GFCCVEGCSA-N 1 2 294.355 0.919 20 30 CCEDLO CN1CC[NH+](CCNc2ccc(C#N)c(N)n2)CC1 ZINC000517756594 420379453 /nfs/dbraw/zinc/37/94/53/420379453.db2.gz GHFAABBQFQAAGD-UHFFFAOYSA-N 1 2 260.345 0.195 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000329486502 545023182 /nfs/dbraw/zinc/02/31/82/545023182.db2.gz RDKMEDGBLHRLJT-STQMWFEESA-N 1 2 285.388 0.780 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000329726403 545025440 /nfs/dbraw/zinc/02/54/40/545025440.db2.gz CDSMSOSYUFJYHE-ZDUSSCGKSA-N 1 2 297.399 0.924 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000329726403 545025442 /nfs/dbraw/zinc/02/54/42/545025442.db2.gz CDSMSOSYUFJYHE-ZDUSSCGKSA-N 1 2 297.399 0.924 20 30 CCEDLO Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)ncc1C#N ZINC000603118673 420493254 /nfs/dbraw/zinc/49/32/54/420493254.db2.gz IYNPIHNAIPNPPK-UHFFFAOYSA-N 1 2 289.339 0.404 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000038034665 260124394 /nfs/dbraw/zinc/12/43/94/260124394.db2.gz GFCNREBCZPDCOH-GFCCVEGCSA-N 1 2 288.307 0.779 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCCOCC ZINC000299366588 260185138 /nfs/dbraw/zinc/18/51/38/260185138.db2.gz RPIZDSIAFVNFTK-CYBMUJFWSA-N 1 2 250.342 0.486 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(CC#N)CC1)C1CCCCC1 ZINC000408032192 260185815 /nfs/dbraw/zinc/18/58/15/260185815.db2.gz SQJUTKHLWGLBNB-UHFFFAOYSA-N 1 2 278.400 0.919 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N(CCC#N)CCC#N ZINC000072906386 260279048 /nfs/dbraw/zinc/27/90/48/260279048.db2.gz YSNXBDCMAMZROK-UHFFFAOYSA-N 1 2 256.309 0.211 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081060951 260329501 /nfs/dbraw/zinc/32/95/01/260329501.db2.gz CCHIEYSXVLOGID-UHFFFAOYSA-N 1 2 252.318 0.458 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081060951 260329503 /nfs/dbraw/zinc/32/95/03/260329503.db2.gz CCHIEYSXVLOGID-UHFFFAOYSA-N 1 2 252.318 0.458 20 30 CCEDLO C#CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491041387 261306551 /nfs/dbraw/zinc/30/65/51/261306551.db2.gz YWGRHQCYUZAOFE-LLVKDONJSA-N 1 2 261.329 0.431 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2CCOC)C1=O ZINC000361518151 261312603 /nfs/dbraw/zinc/31/26/03/261312603.db2.gz FXRIHQUWZHZMRL-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2CCOC)C1=O ZINC000361518151 261312605 /nfs/dbraw/zinc/31/26/05/261312605.db2.gz FXRIHQUWZHZMRL-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491127239 261342103 /nfs/dbraw/zinc/34/21/03/261342103.db2.gz VRRCFQCWRMTBGE-UHFFFAOYSA-N 1 2 270.292 0.755 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(CO)cc1 ZINC000180380359 261857251 /nfs/dbraw/zinc/85/72/51/261857251.db2.gz LFWXQPPOSXXCNV-UHFFFAOYSA-N 1 2 279.340 0.300 20 30 CCEDLO C#CC[N@@H+](CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491817450 262090430 /nfs/dbraw/zinc/09/04/30/262090430.db2.gz OMXBTIZVECFMGR-ZDUSSCGKSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491817450 262090431 /nfs/dbraw/zinc/09/04/31/262090431.db2.gz OMXBTIZVECFMGR-ZDUSSCGKSA-N 1 2 285.409 0.925 20 30 CCEDLO Cc1cc(NC(=O)C[NH+]2CCC(C#N)CC2)n(C)n1 ZINC000057879373 262349937 /nfs/dbraw/zinc/34/99/37/262349937.db2.gz JFGRKOPVCUFPRD-UHFFFAOYSA-N 1 2 261.329 0.903 20 30 CCEDLO C[C@@H](C#N)C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC000336821020 262397276 /nfs/dbraw/zinc/39/72/76/262397276.db2.gz GFXHYSITSWATLL-JTQLQIEISA-N 1 2 276.340 0.208 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC000336821020 262397278 /nfs/dbraw/zinc/39/72/78/262397278.db2.gz GFXHYSITSWATLL-JTQLQIEISA-N 1 2 276.340 0.208 20 30 CCEDLO C=C(C)CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000280484288 263062134 /nfs/dbraw/zinc/06/21/34/263062134.db2.gz AVNUBJLFTNZJAJ-UHFFFAOYSA-N 1 2 255.343 0.989 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325691 263068022 /nfs/dbraw/zinc/06/80/22/263068022.db2.gz LOCCBMZRMYZXPS-CHWSQXEVSA-N 1 2 292.383 0.466 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325691 263068023 /nfs/dbraw/zinc/06/80/23/263068023.db2.gz LOCCBMZRMYZXPS-CHWSQXEVSA-N 1 2 292.383 0.466 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)C)cc1 ZINC000289354203 263109577 /nfs/dbraw/zinc/10/95/77/263109577.db2.gz HSLIETVUGQLNKL-UHFFFAOYSA-N 1 2 265.313 0.615 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000299169082 263233753 /nfs/dbraw/zinc/23/37/53/263233753.db2.gz QPORLLVYJHKVJZ-VHSXEESVSA-N 1 2 252.318 0.478 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000299169082 263233754 /nfs/dbraw/zinc/23/37/54/263233754.db2.gz QPORLLVYJHKVJZ-VHSXEESVSA-N 1 2 252.318 0.478 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccncc1 ZINC000299559504 263247009 /nfs/dbraw/zinc/24/70/09/263247009.db2.gz VFRGBPAUIWSOTA-UHFFFAOYSA-N 1 2 288.351 0.770 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000042950925 263291008 /nfs/dbraw/zinc/29/10/08/263291008.db2.gz IUCKWSPEHVLFSY-NSHDSACASA-N 1 2 254.334 0.120 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000340761613 263305022 /nfs/dbraw/zinc/30/50/22/263305022.db2.gz QKYKIEXGUIMUOG-NSHDSACASA-N 1 2 252.318 0.367 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000341983690 263370999 /nfs/dbraw/zinc/37/09/99/263370999.db2.gz UNQKXKFJFCPBFP-UHFFFAOYSA-N 1 2 265.357 0.765 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000416471214 263721407 /nfs/dbraw/zinc/72/14/07/263721407.db2.gz JVAHPHIGRGRSLP-MNOVXSKESA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000416471214 263721409 /nfs/dbraw/zinc/72/14/09/263721409.db2.gz JVAHPHIGRGRSLP-MNOVXSKESA-N 1 2 289.401 0.005 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000328985627 263911963 /nfs/dbraw/zinc/91/19/63/263911963.db2.gz GTAVNGPWLXKUOV-JTQLQIEISA-N 1 2 283.353 0.715 20 30 CCEDLO COc1cnc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000330725283 264025427 /nfs/dbraw/zinc/02/54/27/264025427.db2.gz JNWMQJGGUFBCKD-QMMMGPOBSA-N 1 2 286.357 0.808 20 30 CCEDLO COc1cnc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000330725283 264025430 /nfs/dbraw/zinc/02/54/30/264025430.db2.gz JNWMQJGGUFBCKD-QMMMGPOBSA-N 1 2 286.357 0.808 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000330748294 264028224 /nfs/dbraw/zinc/02/82/24/264028224.db2.gz GVDVSPUNOABYKU-MNOVXSKESA-N 1 2 271.361 0.926 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000330748294 264028225 /nfs/dbraw/zinc/02/82/25/264028225.db2.gz GVDVSPUNOABYKU-MNOVXSKESA-N 1 2 271.361 0.926 20 30 CCEDLO CC(C)C[C@@H](CNC(=O)c1cnnn1C)[NH+]1CCOCC1 ZINC000330952693 264086617 /nfs/dbraw/zinc/08/66/17/264086617.db2.gz QSZSWOUSZYIMRK-LBPRGKRZSA-N 1 2 295.387 0.867 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330972121 264092552 /nfs/dbraw/zinc/09/25/52/264092552.db2.gz NDFVLVAKQHJFFF-GMTAPVOTSA-N 1 2 282.344 0.372 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330972121 264092553 /nfs/dbraw/zinc/09/25/53/264092553.db2.gz NDFVLVAKQHJFFF-GMTAPVOTSA-N 1 2 282.344 0.372 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000293045707 264918042 /nfs/dbraw/zinc/91/80/42/264918042.db2.gz HLUMLQDNDKRFQS-GFCCVEGCSA-N 1 2 260.341 0.789 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000293045707 264918046 /nfs/dbraw/zinc/91/80/46/264918046.db2.gz HLUMLQDNDKRFQS-GFCCVEGCSA-N 1 2 260.341 0.789 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000357812290 266370925 /nfs/dbraw/zinc/37/09/25/266370925.db2.gz ZKPTZSFWHHDBPX-LLVKDONJSA-N 1 2 274.324 0.694 20 30 CCEDLO C#CCSCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000362787871 267045478 /nfs/dbraw/zinc/04/54/78/267045478.db2.gz LUPXYUDADLEEEP-NSHDSACASA-N 1 2 263.366 0.928 20 30 CCEDLO Cc1cc(NCCCCS(N)(=O)=O)c(C#N)c[nH+]1 ZINC000399606536 267300137 /nfs/dbraw/zinc/30/01/37/267300137.db2.gz WUCGIMZAOAVSJT-UHFFFAOYSA-N 1 2 268.342 0.164 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370556879 267328300 /nfs/dbraw/zinc/32/83/00/267328300.db2.gz IPUNNIYAQJVXHX-STQMWFEESA-N 1 2 295.383 0.936 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370556879 267328304 /nfs/dbraw/zinc/32/83/04/267328304.db2.gz IPUNNIYAQJVXHX-STQMWFEESA-N 1 2 295.383 0.936 20 30 CCEDLO Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)nc1C#N ZINC000527288450 268025927 /nfs/dbraw/zinc/02/59/27/268025927.db2.gz BKGZVXLAYLMCQL-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)nc1C#N ZINC000527288450 268025931 /nfs/dbraw/zinc/02/59/31/268025931.db2.gz BKGZVXLAYLMCQL-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO C=CCN1CC[C@@H](N2CCn3cc(C)[nH+]c3C2)C1=O ZINC000377116225 268048553 /nfs/dbraw/zinc/04/85/53/268048553.db2.gz VIJRDFGTWHGFGL-GFCCVEGCSA-N 1 2 260.341 0.794 20 30 CCEDLO CC(=O)N1CC[N@H+](CC(=O)NC2(C#N)CCC2)C(C)(C)C1 ZINC000346958628 278040186 /nfs/dbraw/zinc/04/01/86/278040186.db2.gz JCDFAMBONZCUMM-UHFFFAOYSA-N 1 2 292.383 0.492 20 30 CCEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C(C)(C)C1 ZINC000346958628 278040189 /nfs/dbraw/zinc/04/01/89/278040189.db2.gz JCDFAMBONZCUMM-UHFFFAOYSA-N 1 2 292.383 0.492 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000287203106 278476686 /nfs/dbraw/zinc/47/66/86/278476686.db2.gz IDKHLOTUTMGSFP-WCQYABFASA-N 1 2 288.351 0.822 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nn1C ZINC000329803199 280292069 /nfs/dbraw/zinc/29/20/69/280292069.db2.gz ZNQPBPYUZDBMSN-SECBINFHSA-N 1 2 274.328 0.757 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nn1C ZINC000329803199 280292072 /nfs/dbraw/zinc/29/20/72/280292072.db2.gz ZNQPBPYUZDBMSN-SECBINFHSA-N 1 2 274.328 0.757 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1C#N ZINC000421363570 294238929 /nfs/dbraw/zinc/23/89/29/294238929.db2.gz QCMXTVXNOHHJIM-CYBMUJFWSA-N 1 2 263.341 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1C#N ZINC000421363570 294238931 /nfs/dbraw/zinc/23/89/31/294238931.db2.gz QCMXTVXNOHHJIM-CYBMUJFWSA-N 1 2 263.341 0.868 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000336923660 327948154 /nfs/dbraw/zinc/94/81/54/327948154.db2.gz SSFLZYFDSOIEIG-VXGBXAGGSA-N 1 2 299.400 0.588 20 30 CCEDLO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)cn1 ZINC000571560913 328133982 /nfs/dbraw/zinc/13/39/82/328133982.db2.gz IIECYADOFFXPSR-YPMHNXCESA-N 1 2 286.339 0.559 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@H](O)C(F)(F)F ZINC000330589328 328464088 /nfs/dbraw/zinc/46/40/88/328464088.db2.gz WPWBSIUXSISXMD-LURJTMIESA-N 1 2 266.223 0.347 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255848746 327020923 /nfs/dbraw/zinc/02/09/23/327020923.db2.gz PWTUSYDPIODHOA-DAXSKMNVSA-N 1 2 298.390 0.957 20 30 CCEDLO C#CC[N@H+](CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194529 327187974 /nfs/dbraw/zinc/18/79/74/327187974.db2.gz TZWIPZUIWKVTGQ-CYBMUJFWSA-N 1 2 269.366 0.455 20 30 CCEDLO C#CC[N@@H+](CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194529 327187976 /nfs/dbraw/zinc/18/79/76/327187976.db2.gz TZWIPZUIWKVTGQ-CYBMUJFWSA-N 1 2 269.366 0.455 20 30 CCEDLO N#CCCCCS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000104104835 327238070 /nfs/dbraw/zinc/23/80/70/327238070.db2.gz FKAPEIAEVXPMHS-UHFFFAOYSA-N 1 2 289.401 0.322 20 30 CCEDLO CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)N1CCCC1=O ZINC000577378412 327259479 /nfs/dbraw/zinc/25/94/79/327259479.db2.gz UNJFNYKUVHJRHI-FZMZJTMJSA-N 1 2 280.372 0.347 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378574444 329055209 /nfs/dbraw/zinc/05/52/09/329055209.db2.gz WICSODAEHGNAGX-LLVKDONJSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378574444 329055211 /nfs/dbraw/zinc/05/52/11/329055211.db2.gz WICSODAEHGNAGX-LLVKDONJSA-N 1 2 254.330 0.706 20 30 CCEDLO N#CC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000171584660 329077753 /nfs/dbraw/zinc/07/77/53/329077753.db2.gz VWEFQCRKIWQLFD-UHFFFAOYSA-N 1 2 266.345 0.264 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000582603876 329114580 /nfs/dbraw/zinc/11/45/80/329114580.db2.gz AMCFYUMGHSCDRA-GFCCVEGCSA-N 1 2 256.371 0.497 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000582603876 329114582 /nfs/dbraw/zinc/11/45/82/329114582.db2.gz AMCFYUMGHSCDRA-GFCCVEGCSA-N 1 2 256.371 0.497 20 30 CCEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000183036244 329246307 /nfs/dbraw/zinc/24/63/07/329246307.db2.gz UNDBFNZCEHONRH-OAHLLOKOSA-N 1 2 294.399 0.772 20 30 CCEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000183036244 329246308 /nfs/dbraw/zinc/24/63/08/329246308.db2.gz UNDBFNZCEHONRH-OAHLLOKOSA-N 1 2 294.399 0.772 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000188657873 329371799 /nfs/dbraw/zinc/37/17/99/329371799.db2.gz UWIOGFWRXAGUKY-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCSCC#N ZINC000189593127 329383892 /nfs/dbraw/zinc/38/38/92/329383892.db2.gz ROIHGDANEYBIFQ-QWRGUYRKSA-N 1 2 272.370 0.632 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCSCC#N ZINC000189593127 329383893 /nfs/dbraw/zinc/38/38/93/329383893.db2.gz ROIHGDANEYBIFQ-QWRGUYRKSA-N 1 2 272.370 0.632 20 30 CCEDLO C=CCOCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079562891 330041726 /nfs/dbraw/zinc/04/17/26/330041726.db2.gz SRRDJZSAWMGIBH-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C1CC1 ZINC000274205454 330104133 /nfs/dbraw/zinc/10/41/33/330104133.db2.gz SCVQHWPQFURJQX-UHFFFAOYSA-N 1 2 275.308 0.703 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NCc1ccco1)C1CC1 ZINC000274205454 330104135 /nfs/dbraw/zinc/10/41/35/330104135.db2.gz SCVQHWPQFURJQX-UHFFFAOYSA-N 1 2 275.308 0.703 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000424130460 330261488 /nfs/dbraw/zinc/26/14/88/330261488.db2.gz FJNQQTUSEFSUCY-LLVKDONJSA-N 1 2 266.297 0.117 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009071 330389892 /nfs/dbraw/zinc/38/98/92/330389892.db2.gz JFZFYKSQRNVLGI-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009071 330389893 /nfs/dbraw/zinc/38/98/93/330389893.db2.gz JFZFYKSQRNVLGI-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000424589191 330391965 /nfs/dbraw/zinc/39/19/65/330391965.db2.gz JLRAGMWMJQCUJL-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000451796337 331042294 /nfs/dbraw/zinc/04/22/94/331042294.db2.gz BGYJEIYNHPXVNO-UHFFFAOYSA-N 1 2 276.402 0.594 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000195310035 331168282 /nfs/dbraw/zinc/16/82/82/331168282.db2.gz RHQRVFSLIIGKRX-AWEZNQCLSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000457394040 331221103 /nfs/dbraw/zinc/22/11/03/331221103.db2.gz WJHMBIUINGTEHR-NEPJUHHUSA-N 1 2 264.329 0.916 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000490714543 332107721 /nfs/dbraw/zinc/10/77/21/332107721.db2.gz PSIHQISJNUIACJ-AWEZNQCLSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000490714543 332107722 /nfs/dbraw/zinc/10/77/22/332107722.db2.gz PSIHQISJNUIACJ-AWEZNQCLSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](c3cccnc3)CC2=O)CC1 ZINC000490891728 332125337 /nfs/dbraw/zinc/12/53/37/332125337.db2.gz GYLSNGXWWPYNEW-INIZCTEOSA-N 1 2 298.390 0.606 20 30 CCEDLO C#CC[N@@H+](CCCOCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491039336 332138052 /nfs/dbraw/zinc/13/80/52/332138052.db2.gz NZCIPUOMMZQMKO-ZDUSSCGKSA-N 1 2 271.382 0.701 20 30 CCEDLO C#CC[N@H+](CCCOCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491039336 332138053 /nfs/dbraw/zinc/13/80/53/332138053.db2.gz NZCIPUOMMZQMKO-ZDUSSCGKSA-N 1 2 271.382 0.701 20 30 CCEDLO C#CC[N@@H+](CCCOCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491039166 332140544 /nfs/dbraw/zinc/14/05/44/332140544.db2.gz NZCIPUOMMZQMKO-CYBMUJFWSA-N 1 2 271.382 0.701 20 30 CCEDLO C#CC[N@H+](CCCOCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491039166 332140545 /nfs/dbraw/zinc/14/05/45/332140545.db2.gz NZCIPUOMMZQMKO-CYBMUJFWSA-N 1 2 271.382 0.701 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491242714 332173236 /nfs/dbraw/zinc/17/32/36/332173236.db2.gz RVTWHGBTHIGKIW-RYUDHWBXSA-N 1 2 259.371 0.126 20 30 CCEDLO C#CC[N@H+](C[C@H](O)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491242714 332173238 /nfs/dbraw/zinc/17/32/38/332173238.db2.gz RVTWHGBTHIGKIW-RYUDHWBXSA-N 1 2 259.371 0.126 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491419942 332208526 /nfs/dbraw/zinc/20/85/26/332208526.db2.gz WJZMKHQNCAAIKN-GFCCVEGCSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491419942 332208527 /nfs/dbraw/zinc/20/85/27/332208527.db2.gz WJZMKHQNCAAIKN-GFCCVEGCSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000491485596 332220534 /nfs/dbraw/zinc/22/05/34/332220534.db2.gz PNAVKYRRRSEVJH-NSHDSACASA-N 1 2 271.313 0.183 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491624842 332248936 /nfs/dbraw/zinc/24/89/36/332248936.db2.gz KYGPFPPOPQXTEN-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC(C)(C)N(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491693005 332289332 /nfs/dbraw/zinc/28/93/32/332289332.db2.gz IEROMBVFTIQNAQ-UHFFFAOYSA-N 1 2 288.413 0.382 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000491705883 332298901 /nfs/dbraw/zinc/29/89/01/332298901.db2.gz MHPVSZOKEYDGPN-KGLIPLIRSA-N 1 2 279.311 0.899 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000491705883 332298903 /nfs/dbraw/zinc/29/89/03/332298903.db2.gz MHPVSZOKEYDGPN-KGLIPLIRSA-N 1 2 279.311 0.899 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000491737238 332317225 /nfs/dbraw/zinc/31/72/25/332317225.db2.gz BIJUHLXJZXFVPT-LBPRGKRZSA-N 1 2 290.342 0.481 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000491786087 332348927 /nfs/dbraw/zinc/34/89/27/332348927.db2.gz OGIKJEVGJRETDA-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCC[C@H]1C ZINC000491786087 332348928 /nfs/dbraw/zinc/34/89/28/332348928.db2.gz OGIKJEVGJRETDA-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO CN(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000496109672 332539011 /nfs/dbraw/zinc/53/90/11/332539011.db2.gz XXMUFBFALNVHRL-AWEZNQCLSA-N 1 2 298.387 0.813 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516955752 333087984 /nfs/dbraw/zinc/08/79/84/333087984.db2.gz PJSUBVXIDQJCOP-RQJABVFESA-N 1 2 295.383 0.492 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516955752 333087986 /nfs/dbraw/zinc/08/79/86/333087986.db2.gz PJSUBVXIDQJCOP-RQJABVFESA-N 1 2 295.383 0.492 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)C#N ZINC000538110047 333574292 /nfs/dbraw/zinc/57/42/92/333574292.db2.gz DKYWYAZHQOHUBC-MRVPVSSYSA-N 1 2 262.269 0.305 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000543543761 333879740 /nfs/dbraw/zinc/87/97/40/333879740.db2.gz NUDPUFDMOQKKSE-YUMQZZPRSA-N 1 2 281.316 0.429 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857464 334054780 /nfs/dbraw/zinc/05/47/80/334054780.db2.gz DTPIODNDLRUYEE-LBPRGKRZSA-N 1 2 278.356 0.483 20 30 CCEDLO N#C[C@@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCOC1 ZINC000547489716 334093142 /nfs/dbraw/zinc/09/31/42/334093142.db2.gz MEHLRBVKXBIJSA-AWEZNQCLSA-N 1 2 283.291 0.680 20 30 CCEDLO CC#CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000154438320 334694444 /nfs/dbraw/zinc/69/44/44/334694444.db2.gz AOSYTWKOPFOYQK-UHFFFAOYSA-N 1 2 272.352 0.343 20 30 CCEDLO C=CCCn1cc(C(=O)NCc2c[nH+]c(C)nc2N)nn1 ZINC000567615911 334740938 /nfs/dbraw/zinc/74/09/38/334740938.db2.gz MSZYECWDRJZAHD-UHFFFAOYSA-N 1 2 287.327 0.295 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000576394528 335197880 /nfs/dbraw/zinc/19/78/80/335197880.db2.gz VDCYNLYLDROGHO-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000576394528 335197881 /nfs/dbraw/zinc/19/78/81/335197881.db2.gz VDCYNLYLDROGHO-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccncc2C)CC1 ZINC000576462634 335206646 /nfs/dbraw/zinc/20/66/46/335206646.db2.gz SGOCHAVDPBVJBS-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@]23CCNC3=O)c1 ZINC000576526648 335215234 /nfs/dbraw/zinc/21/52/34/335215234.db2.gz HRASJRHQGMHNIH-MRXNPFEDSA-N 1 2 298.346 0.851 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@]23CCNC3=O)c1 ZINC000576526648 335215235 /nfs/dbraw/zinc/21/52/35/335215235.db2.gz HRASJRHQGMHNIH-MRXNPFEDSA-N 1 2 298.346 0.851 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cc(Cl)cn1 ZINC000577615559 335378461 /nfs/dbraw/zinc/37/84/61/335378461.db2.gz QTQCKFNBVRCXNY-LLVKDONJSA-N 1 2 269.736 0.497 20 30 CCEDLO COCC(COC)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000581195961 336022931 /nfs/dbraw/zinc/02/29/31/336022931.db2.gz SQCQYSICNLKTLX-ZDUSSCGKSA-N 1 2 269.389 0.958 20 30 CCEDLO N#CC1(C[NH+]2CCN(c3ccc4nncn4n3)CC2)CCC1 ZINC000581291287 336037938 /nfs/dbraw/zinc/03/79/38/336037938.db2.gz NWDWPKHKMLVUFT-UHFFFAOYSA-N 1 2 297.366 0.940 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1CC(N)=O ZINC000581610910 336112319 /nfs/dbraw/zinc/11/23/19/336112319.db2.gz GVZHLLGEHXMMFS-CYBMUJFWSA-N 1 2 291.351 0.300 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1CC(N)=O ZINC000581610910 336112321 /nfs/dbraw/zinc/11/23/21/336112321.db2.gz GVZHLLGEHXMMFS-CYBMUJFWSA-N 1 2 291.351 0.300 20 30 CCEDLO N#Cc1csc(C[NH2+][C@H]2CCCS(=O)(=O)C2)n1 ZINC000386126231 336166578 /nfs/dbraw/zinc/16/65/78/336166578.db2.gz NCWPZPQEBWTPSG-QMMMGPOBSA-N 1 2 271.367 0.682 20 30 CCEDLO C=CC(C)(C)CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000458987213 545098095 /nfs/dbraw/zinc/09/80/95/545098095.db2.gz LNBLTBVKJOPFJP-UHFFFAOYSA-N 1 2 299.415 0.535 20 30 CCEDLO C=CCOCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666515047 545124615 /nfs/dbraw/zinc/12/46/15/545124615.db2.gz PFSFNWWWFLPTBP-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO CC(C)N1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CC1=O ZINC000330251377 529087479 /nfs/dbraw/zinc/08/74/79/529087479.db2.gz NNVYSUBYSWXYPU-NSHDSACASA-N 1 2 291.355 0.622 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332687013 529347061 /nfs/dbraw/zinc/34/70/61/529347061.db2.gz JLMHXHOPZMFRKO-MBNYWOFBSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332687013 529347063 /nfs/dbraw/zinc/34/70/63/529347063.db2.gz JLMHXHOPZMFRKO-MBNYWOFBSA-N 1 2 265.357 0.858 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000677046654 545356958 /nfs/dbraw/zinc/35/69/58/545356958.db2.gz FOKVOLAXFLXZTQ-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000677046654 545356959 /nfs/dbraw/zinc/35/69/59/545356959.db2.gz FOKVOLAXFLXZTQ-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000679951216 545419961 /nfs/dbraw/zinc/41/99/61/545419961.db2.gz ZONFGYRQHIRKBA-UHFFFAOYSA-N 1 2 274.368 0.865 20 30 CCEDLO COc1cc(C#N)cc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000314763371 536876877 /nfs/dbraw/zinc/87/68/77/536876877.db2.gz RIHGCUSDHDUMKU-CYBMUJFWSA-N 1 2 292.335 0.639 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000347294391 536877822 /nfs/dbraw/zinc/87/78/22/536877822.db2.gz SFTZVVOBDKKDMW-LBPRGKRZSA-N 1 2 259.309 0.887 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000347294391 536877828 /nfs/dbraw/zinc/87/78/28/536877828.db2.gz SFTZVVOBDKKDMW-LBPRGKRZSA-N 1 2 259.309 0.887 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683041019 545495014 /nfs/dbraw/zinc/49/50/14/545495014.db2.gz MHCNNIODPRLREH-UHFFFAOYSA-N 1 2 277.328 0.703 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683041019 545495015 /nfs/dbraw/zinc/49/50/15/545495015.db2.gz MHCNNIODPRLREH-UHFFFAOYSA-N 1 2 277.328 0.703 20 30 CCEDLO C=CCOCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000683394723 545518401 /nfs/dbraw/zinc/51/84/01/545518401.db2.gz RBWHOOKMHGCGJH-UHFFFAOYSA-N 1 2 264.329 0.928 20 30 CCEDLO C=CCOCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000683394723 545518405 /nfs/dbraw/zinc/51/84/05/545518405.db2.gz RBWHOOKMHGCGJH-UHFFFAOYSA-N 1 2 264.329 0.928 20 30 CCEDLO C=CC[N@@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000777543926 581120179 /nfs/dbraw/zinc/12/01/79/581120179.db2.gz AHZAFMJEIQJVRQ-CYBMUJFWSA-N 1 2 254.330 0.863 20 30 CCEDLO C=CC[N@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000777543926 581120180 /nfs/dbraw/zinc/12/01/80/581120180.db2.gz AHZAFMJEIQJVRQ-CYBMUJFWSA-N 1 2 254.330 0.863 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777731354 581131559 /nfs/dbraw/zinc/13/15/59/581131559.db2.gz REEFRKXHWNQYKH-AWEZNQCLSA-N 1 2 277.299 0.359 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777731354 581131562 /nfs/dbraw/zinc/13/15/62/581131562.db2.gz REEFRKXHWNQYKH-AWEZNQCLSA-N 1 2 277.299 0.359 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cn1 ZINC000779563939 581191551 /nfs/dbraw/zinc/19/15/51/581191551.db2.gz PKUDHOSRPZGCCP-LBPRGKRZSA-N 1 2 299.290 0.121 20 30 CCEDLO COc1ccc(N[NH+]=Cc2c(N)ncnc2OC)nc1 ZINC000780267603 581223613 /nfs/dbraw/zinc/22/36/13/581223613.db2.gz MYHRFJWMMPXQDU-UHFFFAOYSA-N 1 2 274.284 0.917 20 30 CCEDLO O=S1(=O)C=C(NNc2[nH+]cncc2Cl)CC1 ZINC000780281821 581224340 /nfs/dbraw/zinc/22/43/40/581224340.db2.gz UTQGPCWOLOGGFH-UHFFFAOYSA-N 1 2 260.706 0.716 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000781040088 581256936 /nfs/dbraw/zinc/25/69/36/581256936.db2.gz HKPJPJURZFMJAJ-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000781040088 581256933 /nfs/dbraw/zinc/25/69/33/581256933.db2.gz HKPJPJURZFMJAJ-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781560851 581271729 /nfs/dbraw/zinc/27/17/29/581271729.db2.gz IIADWZLIYNGJAY-DZGCQCFKSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781560851 581271731 /nfs/dbraw/zinc/27/17/31/581271731.db2.gz IIADWZLIYNGJAY-DZGCQCFKSA-N 1 2 294.399 0.593 20 30 CCEDLO C#CCOCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000784189337 581375500 /nfs/dbraw/zinc/37/55/00/581375500.db2.gz KQWJXMCVBIEGTF-UHFFFAOYSA-N 1 2 276.340 0.597 20 30 CCEDLO Cc1ncc(CO)c(/C=[NH+]\CCC2(O)CCOCC2)c1O ZINC000794676117 581383403 /nfs/dbraw/zinc/38/34/03/581383403.db2.gz JQGLMEGGMYPSFY-SXGWCWSVSA-N 1 2 294.351 0.938 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784406618 581383611 /nfs/dbraw/zinc/38/36/11/581383611.db2.gz AHPMNVKFNVBTTM-UHFFFAOYSA-N 1 2 290.342 0.482 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784406618 581383612 /nfs/dbraw/zinc/38/36/12/581383612.db2.gz AHPMNVKFNVBTTM-UHFFFAOYSA-N 1 2 290.342 0.482 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]21 ZINC000794970292 581393170 /nfs/dbraw/zinc/39/31/70/581393170.db2.gz YAWQBTLFLUOEAO-REJLFOLJSA-N 1 2 293.367 0.392 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]21 ZINC000794970292 581393172 /nfs/dbraw/zinc/39/31/72/581393172.db2.gz YAWQBTLFLUOEAO-REJLFOLJSA-N 1 2 293.367 0.392 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCO1 ZINC000787300902 581466534 /nfs/dbraw/zinc/46/65/34/581466534.db2.gz XLRPEXTUZOQSTL-FRRDWIJNSA-N 1 2 273.336 0.743 20 30 CCEDLO Cn1c[nH+]cc1C=NNc1ccc(S(N)(=O)=O)cc1 ZINC000755455069 581641423 /nfs/dbraw/zinc/64/14/23/581641423.db2.gz KOYVNUNACQTNRJ-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000755520305 581643101 /nfs/dbraw/zinc/64/31/01/581643101.db2.gz BELFJVAACHSMPF-VIFPVBQESA-N 1 2 267.358 0.695 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000730099049 581645560 /nfs/dbraw/zinc/64/55/60/581645560.db2.gz YABWIWQMDXSMTN-NEPJUHHUSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000730099049 581645562 /nfs/dbraw/zinc/64/55/62/581645562.db2.gz YABWIWQMDXSMTN-NEPJUHHUSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000730104098 581646444 /nfs/dbraw/zinc/64/64/44/581646444.db2.gz HZEQJHGJWKEGBL-ZDUSSCGKSA-N 1 2 271.320 0.822 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000730104098 581646448 /nfs/dbraw/zinc/64/64/48/581646448.db2.gz HZEQJHGJWKEGBL-ZDUSSCGKSA-N 1 2 271.320 0.822 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000740480501 581683917 /nfs/dbraw/zinc/68/39/17/581683917.db2.gz XHANDBGCUKSFCF-LBPRGKRZSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000740480501 581683919 /nfs/dbraw/zinc/68/39/19/581683919.db2.gz XHANDBGCUKSFCF-LBPRGKRZSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000769338460 581684879 /nfs/dbraw/zinc/68/48/79/581684879.db2.gz AYLWQGAZEZRENR-SDDRHHMPSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000769338460 581684881 /nfs/dbraw/zinc/68/48/81/581684881.db2.gz AYLWQGAZEZRENR-SDDRHHMPSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000756937509 581685540 /nfs/dbraw/zinc/68/55/40/581685540.db2.gz XUXDEOMIOWBYCB-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000758231460 581697159 /nfs/dbraw/zinc/69/71/59/581697159.db2.gz ZPYYZVQZHRTZMV-UHFFFAOYSA-N 1 2 277.397 0.045 20 30 CCEDLO C[C@H]1CC(=NNCCS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000753959615 581714810 /nfs/dbraw/zinc/71/48/10/581714810.db2.gz MCRSSEPEIPJJGS-VIFPVBQESA-N 1 2 259.375 0.233 20 30 CCEDLO COc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1C#N ZINC000757905295 581713612 /nfs/dbraw/zinc/71/36/12/581713612.db2.gz HHYGFTWMAIAZHL-UHFFFAOYSA-N 1 2 286.291 0.944 20 30 CCEDLO C[C@H]1CC(=NNCCS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000753959615 581714808 /nfs/dbraw/zinc/71/48/08/581714808.db2.gz MCRSSEPEIPJJGS-VIFPVBQESA-N 1 2 259.375 0.233 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1=O ZINC000758214594 581727895 /nfs/dbraw/zinc/72/78/95/581727895.db2.gz IPXWVPCYJJUEKH-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1=O ZINC000758214594 581727898 /nfs/dbraw/zinc/72/78/98/581727898.db2.gz IPXWVPCYJJUEKH-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO Cc1ccn(C[NH+]2CCC(C)(O)CC2)c(=O)c1C#N ZINC000758235607 581730233 /nfs/dbraw/zinc/73/02/33/581730233.db2.gz JDJKPECZTXHSEJ-UHFFFAOYSA-N 1 2 261.325 0.833 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCOC3(CCOCC3)C2)c1=O ZINC000758242705 581731069 /nfs/dbraw/zinc/73/10/69/581731069.db2.gz XVBKQXQXRQOLEF-UHFFFAOYSA-N 1 2 289.335 0.559 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCOC3(CCOCC3)C2)c1=O ZINC000758242705 581731071 /nfs/dbraw/zinc/73/10/71/581731071.db2.gz XVBKQXQXRQOLEF-UHFFFAOYSA-N 1 2 289.335 0.559 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000758738375 581767022 /nfs/dbraw/zinc/76/70/22/581767022.db2.gz KJCSPTPDNDRQKC-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000758738375 581767023 /nfs/dbraw/zinc/76/70/23/581767023.db2.gz KJCSPTPDNDRQKC-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000731845081 581783413 /nfs/dbraw/zinc/78/34/13/581783413.db2.gz XFTGNGPTIPPQAP-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000731845081 581783414 /nfs/dbraw/zinc/78/34/14/581783414.db2.gz XFTGNGPTIPPQAP-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO Cn1ccnc(N=NCc2cccc3[nH+]ccn32)c1=O ZINC000771099183 581792010 /nfs/dbraw/zinc/79/20/10/581792010.db2.gz DPLWSFCGLGCVOO-UHFFFAOYSA-N 1 2 268.280 0.874 20 30 CCEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/C2CC2)NC1=O ZINC000743276875 581806404 /nfs/dbraw/zinc/80/64/04/581806404.db2.gz BGIQNDROIDHKLC-JTQLQIEISA-N 1 2 298.412 0.194 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)[C@H](C)CC ZINC000743483132 581814338 /nfs/dbraw/zinc/81/43/38/581814338.db2.gz XQUFTFLSZCFQOI-IPYPFGDCSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)[C@H](C)CC ZINC000743483132 581814340 /nfs/dbraw/zinc/81/43/40/581814340.db2.gz XQUFTFLSZCFQOI-IPYPFGDCSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C1CC1 ZINC000743715128 581823839 /nfs/dbraw/zinc/82/38/39/581823839.db2.gz HVUFXSLAOVDRND-JSGCOSHPSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C1CC1 ZINC000743715128 581823840 /nfs/dbraw/zinc/82/38/40/581823840.db2.gz HVUFXSLAOVDRND-JSGCOSHPSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000760640475 581868193 /nfs/dbraw/zinc/86/81/93/581868193.db2.gz FXSGRMVLQNVDJW-JMERFSKESA-N 1 2 282.409 0.454 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000760640475 581868198 /nfs/dbraw/zinc/86/81/98/581868198.db2.gz FXSGRMVLQNVDJW-JMERFSKESA-N 1 2 282.409 0.454 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000733151766 581868208 /nfs/dbraw/zinc/86/82/08/581868208.db2.gz BZHSZAQCYKSFOG-NEPJUHHUSA-N 1 2 280.368 0.930 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000733151766 581868212 /nfs/dbraw/zinc/86/82/12/581868212.db2.gz BZHSZAQCYKSFOG-NEPJUHHUSA-N 1 2 280.368 0.930 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000733162366 581868335 /nfs/dbraw/zinc/86/83/35/581868335.db2.gz MXUBEHXPPIKPNI-UHFFFAOYSA-N 1 2 286.335 0.568 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761072835 581886087 /nfs/dbraw/zinc/88/60/87/581886087.db2.gz FINWNCKBYQGBMQ-NEPJUHHUSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761072835 581886089 /nfs/dbraw/zinc/88/60/89/581886089.db2.gz FINWNCKBYQGBMQ-NEPJUHHUSA-N 1 2 252.362 0.383 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000761906602 581925625 /nfs/dbraw/zinc/92/56/25/581925625.db2.gz CYYQWZIEMUAJJC-CQSZACIVSA-N 1 2 273.336 0.608 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000761906602 581925628 /nfs/dbraw/zinc/92/56/28/581925628.db2.gz CYYQWZIEMUAJJC-CQSZACIVSA-N 1 2 273.336 0.608 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000773399476 581926731 /nfs/dbraw/zinc/92/67/31/581926731.db2.gz FOIMAHAIJXBRIM-IBGZPJMESA-N 1 2 284.425 0.703 20 30 CCEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000774026632 581953507 /nfs/dbraw/zinc/95/35/07/581953507.db2.gz LHVCVMLCHCBZMB-CHWSQXEVSA-N 1 2 276.340 0.753 20 30 CCEDLO NC(=[NH+]OCCOCCO)c1ccc(Cl)cc1 ZINC000763422393 581998728 /nfs/dbraw/zinc/99/87/28/581998728.db2.gz CJKGOTVAADFNCU-UHFFFAOYSA-N 1 2 258.705 0.986 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000764201315 582035950 /nfs/dbraw/zinc/03/59/50/582035950.db2.gz JGSQDXWTDIZDJY-LBPRGKRZSA-N 1 2 294.399 0.785 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000764201315 582035952 /nfs/dbraw/zinc/03/59/52/582035952.db2.gz JGSQDXWTDIZDJY-LBPRGKRZSA-N 1 2 294.399 0.785 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775858719 582043100 /nfs/dbraw/zinc/04/31/00/582043100.db2.gz LXJVTHAIIBRLGH-UHFFFAOYSA-N 1 2 276.258 0.579 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCn2cc(C)[nH+]c2C1)[C@@H]1CCCO1 ZINC000776231808 582063014 /nfs/dbraw/zinc/06/30/14/582063014.db2.gz QTHYCHCLBXYQSZ-OLZOCXBDSA-N 1 2 288.351 0.898 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751443555 582080722 /nfs/dbraw/zinc/08/07/22/582080722.db2.gz WNSHFVRVFLDRGD-SNVBAGLBSA-N 1 2 275.308 0.278 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842965836 613004561 /nfs/dbraw/zinc/00/45/61/613004561.db2.gz HUGLPBLOCZEGTM-BFHYXJOUSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842965836 613004562 /nfs/dbraw/zinc/00/45/62/613004562.db2.gz HUGLPBLOCZEGTM-BFHYXJOUSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC000948719611 613010534 /nfs/dbraw/zinc/01/05/34/613010534.db2.gz KXHXMRYHYQCKAY-UHFFFAOYSA-N 1 2 275.356 0.388 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000883270979 612947072 /nfs/dbraw/zinc/94/70/72/612947072.db2.gz BTAYINCLSPWWOQ-LLVKDONJSA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000883270979 612947073 /nfs/dbraw/zinc/94/70/73/612947073.db2.gz BTAYINCLSPWWOQ-LLVKDONJSA-N 1 2 269.320 0.074 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3nn[nH]n3)cc2F)N1 ZINC000825006908 609519754 /nfs/dbraw/zinc/51/97/54/609519754.db2.gz SEJYGEIMRIZQCX-ZETCQYMHSA-N 1 2 288.290 0.277 20 30 CCEDLO C#CC1(O)C[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000934448194 612960978 /nfs/dbraw/zinc/96/09/78/612960978.db2.gz ITMKEPLFJDQVDS-CQSZACIVSA-N 1 2 284.359 0.829 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866954 612975027 /nfs/dbraw/zinc/97/50/27/612975027.db2.gz SZCCTGYPJWVOET-BETUJISGSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866954 612975028 /nfs/dbraw/zinc/97/50/28/612975028.db2.gz SZCCTGYPJWVOET-BETUJISGSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867451518 612986127 /nfs/dbraw/zinc/98/61/27/612986127.db2.gz YASSRCIPBRLTSN-VIFPVBQESA-N 1 2 275.230 0.857 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000950515404 612992810 /nfs/dbraw/zinc/99/28/10/612992810.db2.gz SJQPUDPGALVURK-UHFFFAOYSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(OC)nc2)C1 ZINC000957087544 612992850 /nfs/dbraw/zinc/99/28/50/612992850.db2.gz JGBPWIRWGMMGCF-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nn(C)cc2C)C1 ZINC000950059728 612993309 /nfs/dbraw/zinc/99/33/09/612993309.db2.gz IMAIMLZBUSVXAD-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)cnn2C)CC1 ZINC000825077560 613010243 /nfs/dbraw/zinc/01/02/43/613010243.db2.gz AONYHNHTCLKKNS-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(C)(C)OC)CC1 ZINC000809810001 613011968 /nfs/dbraw/zinc/01/19/68/613011968.db2.gz HRZZHFOCTSNJMK-UHFFFAOYSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342013 613026356 /nfs/dbraw/zinc/02/63/56/613026356.db2.gz PCLLWLJNFYJLBL-NSHDSACASA-N 1 2 276.340 0.403 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000858140868 613035872 /nfs/dbraw/zinc/03/58/72/613035872.db2.gz IUQJKYXFSUUQPV-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000863805720 613036926 /nfs/dbraw/zinc/03/69/26/613036926.db2.gz UACLHCOCMQFXIE-NEPJUHHUSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000888191283 613046103 /nfs/dbraw/zinc/04/61/03/613046103.db2.gz ICTDBZMNFUGKER-LSDHHAIUSA-N 1 2 292.427 0.677 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CCc2cn3c([nH+]2)CCCC3)C1=O ZINC000877880651 613047789 /nfs/dbraw/zinc/04/77/89/613047789.db2.gz GQMAHBSBLCFJMC-LBPRGKRZSA-N 1 2 286.335 0.706 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000863801855 613065505 /nfs/dbraw/zinc/06/55/05/613065505.db2.gz GKQXZBMJFOXQPS-VXGBXAGGSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCC(=O)N2)n1 ZINC000844325471 613078842 /nfs/dbraw/zinc/07/88/42/613078842.db2.gz XYJFWUDVZOIMHF-ZDUSSCGKSA-N 1 2 290.367 0.243 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCC(=O)N2)n1 ZINC000844325471 613078843 /nfs/dbraw/zinc/07/88/43/613078843.db2.gz XYJFWUDVZOIMHF-ZDUSSCGKSA-N 1 2 290.367 0.243 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000971674017 613091944 /nfs/dbraw/zinc/09/19/44/613091944.db2.gz MNOWFGBMULVKIK-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000971674017 613091946 /nfs/dbraw/zinc/09/19/46/613091946.db2.gz MNOWFGBMULVKIK-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](OC(F)F)C2)C1=O ZINC000821771751 613109689 /nfs/dbraw/zinc/10/96/89/613109689.db2.gz MMXKVMYSBUDWOW-VHSXEESVSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](OC(F)F)C2)C1=O ZINC000821771751 613109690 /nfs/dbraw/zinc/10/96/90/613109690.db2.gz MMXKVMYSBUDWOW-VHSXEESVSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)C3CC3)CC2)C1 ZINC000941681483 613115205 /nfs/dbraw/zinc/11/52/05/613115205.db2.gz SBRFDXMNLCKGNN-AWEZNQCLSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cn(CC)cn2)CC1 ZINC000921438942 613138548 /nfs/dbraw/zinc/13/85/48/613138548.db2.gz NOBNFWRRLJPJMJ-UHFFFAOYSA-N 1 2 296.396 0.279 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000921438526 613138775 /nfs/dbraw/zinc/13/87/75/613138775.db2.gz CQRRHLFTPQJNCB-UHFFFAOYSA-N 1 2 296.396 0.104 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC000981936667 613156933 /nfs/dbraw/zinc/15/69/33/613156933.db2.gz MOUUICYDLAKYDJ-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC000981936667 613156935 /nfs/dbraw/zinc/15/69/35/613156935.db2.gz MOUUICYDLAKYDJ-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000923558152 613166811 /nfs/dbraw/zinc/16/68/11/613166811.db2.gz WOFYUCHKPFFRIE-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000864078799 613169678 /nfs/dbraw/zinc/16/96/78/613169678.db2.gz QPMFCCUEITVJMA-AWEZNQCLSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000864078799 613169680 /nfs/dbraw/zinc/16/96/80/613169680.db2.gz QPMFCCUEITVJMA-AWEZNQCLSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cn1 ZINC000913466717 613170661 /nfs/dbraw/zinc/17/06/61/613170661.db2.gz BQTYIIVTIHNMQU-HNNXBMFYSA-N 1 2 295.346 0.583 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C3CC3)no2)C1 ZINC000902730386 613175095 /nfs/dbraw/zinc/17/50/95/613175095.db2.gz QKAQNKFNOMKMOX-LLVKDONJSA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C3CC3)no2)C1 ZINC000902730386 613175097 /nfs/dbraw/zinc/17/50/97/613175097.db2.gz QKAQNKFNOMKMOX-LLVKDONJSA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](CC)OC)C1 ZINC000885508772 613175994 /nfs/dbraw/zinc/17/59/94/613175994.db2.gz KTTBEEWFGDMXER-CHWSQXEVSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](CC)OC)C1 ZINC000885508772 613175995 /nfs/dbraw/zinc/17/59/95/613175995.db2.gz KTTBEEWFGDMXER-CHWSQXEVSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000923566617 613189205 /nfs/dbraw/zinc/18/92/05/613189205.db2.gz MPHAJAWXFSKTRP-GJZGRUSLSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000885508509 613192668 /nfs/dbraw/zinc/19/26/68/613192668.db2.gz HGARNFXVKUMRLS-NSHDSACASA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000885508509 613192669 /nfs/dbraw/zinc/19/26/69/613192669.db2.gz HGARNFXVKUMRLS-NSHDSACASA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(C)C)C1 ZINC000885511413 613192725 /nfs/dbraw/zinc/19/27/25/613192725.db2.gz HRTXFQZLFMHUFF-LBPRGKRZSA-N 1 2 258.387 0.659 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(C)C)C1 ZINC000885511413 613192726 /nfs/dbraw/zinc/19/27/26/613192726.db2.gz HRTXFQZLFMHUFF-LBPRGKRZSA-N 1 2 258.387 0.659 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000885511710 613193246 /nfs/dbraw/zinc/19/32/46/613193246.db2.gz LSTKPSDGKLJEJP-OCCSQVGLSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000885511710 613193248 /nfs/dbraw/zinc/19/32/48/613193248.db2.gz LSTKPSDGKLJEJP-OCCSQVGLSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nn1nnc2c1CCCC2 ZINC000887217944 613203431 /nfs/dbraw/zinc/20/34/31/613203431.db2.gz ZIJQKFMCYYACEO-ZDUSSCGKSA-N 1 2 273.340 0.325 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nn1nnc2c1CCCC2 ZINC000887217944 613203432 /nfs/dbraw/zinc/20/34/32/613203432.db2.gz ZIJQKFMCYYACEO-ZDUSSCGKSA-N 1 2 273.340 0.325 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@](C)(O)C(C)=O)c1 ZINC000827435227 613203621 /nfs/dbraw/zinc/20/36/21/613203621.db2.gz UOORHZCPGHNDFX-INIZCTEOSA-N 1 2 288.347 0.878 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@](C)(O)C(C)=O)c1 ZINC000827435227 613203623 /nfs/dbraw/zinc/20/36/23/613203623.db2.gz UOORHZCPGHNDFX-INIZCTEOSA-N 1 2 288.347 0.878 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326323 613210153 /nfs/dbraw/zinc/21/01/53/613210153.db2.gz FHJCULIWTVJXAV-XNISGLLXSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326323 613210154 /nfs/dbraw/zinc/21/01/54/613210154.db2.gz FHJCULIWTVJXAV-XNISGLLXSA-N 1 2 262.353 0.889 20 30 CCEDLO C#Cc1cnc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000828178849 613210165 /nfs/dbraw/zinc/21/01/65/613210165.db2.gz YMXMGERTCFBDFM-GXTWGEPZSA-N 1 2 272.352 0.757 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000807436245 613211253 /nfs/dbraw/zinc/21/12/53/613211253.db2.gz OBCVPUTWRJKGAX-ZDUSSCGKSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269703 613213137 /nfs/dbraw/zinc/21/31/37/613213137.db2.gz QOGZOSKQXHQXGF-GXTWGEPZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269703 613213139 /nfs/dbraw/zinc/21/31/39/613213139.db2.gz QOGZOSKQXHQXGF-GXTWGEPZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972573369 613213153 /nfs/dbraw/zinc/21/31/53/613213153.db2.gz VMSNJJJCDWVMHP-CZUORRHYSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972573369 613213156 /nfs/dbraw/zinc/21/31/56/613213156.db2.gz VMSNJJJCDWVMHP-CZUORRHYSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308884 613221005 /nfs/dbraw/zinc/22/10/05/613221005.db2.gz DVPOGMAPRWDYBK-TZMCWYRMSA-N 1 2 287.363 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308884 613221008 /nfs/dbraw/zinc/22/10/08/613221008.db2.gz DVPOGMAPRWDYBK-TZMCWYRMSA-N 1 2 287.363 0.459 20 30 CCEDLO C/C(=C/C(=O)N1CCO[C@@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC000887689927 613231573 /nfs/dbraw/zinc/23/15/73/613231573.db2.gz BISRFVDUWAYZIA-CTXBLAANSA-N 1 2 293.367 0.406 20 30 CCEDLO C=C(Br)C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934226459 613239282 /nfs/dbraw/zinc/23/92/82/613239282.db2.gz HQLKCHPPQDCQOA-SNVBAGLBSA-N 1 2 287.161 0.625 20 30 CCEDLO C/C(=C\C(=O)N1CCO[C@@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC000887689928 613251188 /nfs/dbraw/zinc/25/11/88/613251188.db2.gz BISRFVDUWAYZIA-GLNPCMGASA-N 1 2 293.367 0.406 20 30 CCEDLO C=C(C)CC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000957131654 613258325 /nfs/dbraw/zinc/25/83/25/613258325.db2.gz OYNQKULNGNHQHS-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C/C(=C\C(=O)Nc1n[nH]c(C)c1C#N)C[NH+]1CCOCC1 ZINC000912833035 613260071 /nfs/dbraw/zinc/26/00/71/613260071.db2.gz CVAKRANJRYARSA-JXMROGBWSA-N 1 2 289.339 0.807 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2COCCO2)C1 ZINC000949702842 613295155 /nfs/dbraw/zinc/29/51/55/613295155.db2.gz OFRPTYIVDZWEEZ-ZDUSSCGKSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000951359972 613295211 /nfs/dbraw/zinc/29/52/11/613295211.db2.gz KGHYTBLPPITFAZ-CYBMUJFWSA-N 1 2 279.384 0.716 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC000957049622 613321708 /nfs/dbraw/zinc/32/17/08/613321708.db2.gz HLICDHGQVAOQND-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934324755 613329439 /nfs/dbraw/zinc/32/94/39/613329439.db2.gz IMMDLLVBXJCQEP-AWEZNQCLSA-N 1 2 271.364 0.947 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934324755 613329441 /nfs/dbraw/zinc/32/94/41/613329441.db2.gz IMMDLLVBXJCQEP-AWEZNQCLSA-N 1 2 271.364 0.947 20 30 CCEDLO C=C(C)CONC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000845596260 613353541 /nfs/dbraw/zinc/35/35/41/613353541.db2.gz SODUCVPNDAMNLQ-LBPRGKRZSA-N 1 2 270.377 0.429 20 30 CCEDLO C=C(C)CONC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000845594030 613353649 /nfs/dbraw/zinc/35/36/49/613353649.db2.gz AOYDIJZUPJEQGT-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838116989 613363247 /nfs/dbraw/zinc/36/32/47/613363247.db2.gz XVDYBWQNVDFBGT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838116989 613363248 /nfs/dbraw/zinc/36/32/48/613363248.db2.gz XVDYBWQNVDFBGT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675962 613377350 /nfs/dbraw/zinc/37/73/50/613377350.db2.gz SFUOYINYNWTXFO-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675962 613377351 /nfs/dbraw/zinc/37/73/51/613377351.db2.gz SFUOYINYNWTXFO-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943675962 613377352 /nfs/dbraw/zinc/37/73/52/613377352.db2.gz SFUOYINYNWTXFO-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943675962 613377353 /nfs/dbraw/zinc/37/73/53/613377353.db2.gz SFUOYINYNWTXFO-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000957835558 613380427 /nfs/dbraw/zinc/38/04/27/613380427.db2.gz YBYNTLCSRQGBHT-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000957835558 613380428 /nfs/dbraw/zinc/38/04/28/613380428.db2.gz YBYNTLCSRQGBHT-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957835556 613380733 /nfs/dbraw/zinc/38/07/33/613380733.db2.gz YBYNTLCSRQGBHT-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957835556 613380734 /nfs/dbraw/zinc/38/07/34/613380734.db2.gz YBYNTLCSRQGBHT-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820594 613381239 /nfs/dbraw/zinc/38/12/39/613381239.db2.gz IDMUMPNBXHLFII-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820594 613381240 /nfs/dbraw/zinc/38/12/40/613381240.db2.gz IDMUMPNBXHLFII-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC000939069156 613386409 /nfs/dbraw/zinc/38/64/09/613386409.db2.gz UNXOGANMBZHYTC-PSASIEDQSA-N 1 2 298.774 0.928 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000878433046 613398143 /nfs/dbraw/zinc/39/81/43/613398143.db2.gz QSCBPORBYOOOFZ-NEPJUHHUSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000878433046 613398146 /nfs/dbraw/zinc/39/81/46/613398146.db2.gz QSCBPORBYOOOFZ-NEPJUHHUSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925595137 613417382 /nfs/dbraw/zinc/41/73/82/613417382.db2.gz NSEKQNIORZIHQN-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OC ZINC000905756629 613419333 /nfs/dbraw/zinc/41/93/33/613419333.db2.gz OOWNDSVAASYDOP-NSHDSACASA-N 1 2 270.329 0.925 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874712569 613465257 /nfs/dbraw/zinc/46/52/57/613465257.db2.gz ZURBGQCMZAKMOG-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874712569 613465258 /nfs/dbraw/zinc/46/52/58/613465258.db2.gz ZURBGQCMZAKMOG-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922719928 613471275 /nfs/dbraw/zinc/47/12/75/613471275.db2.gz MZUPRZDBLFNXBA-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461016 613479782 /nfs/dbraw/zinc/47/97/82/613479782.db2.gz BICRJOIHCJWFAT-GXTWGEPZSA-N 1 2 278.356 0.220 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932022474 613482128 /nfs/dbraw/zinc/48/21/28/613482128.db2.gz UYRBVQVSEFGFNY-MISXGVKJSA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932022474 613482130 /nfs/dbraw/zinc/48/21/30/613482130.db2.gz UYRBVQVSEFGFNY-MISXGVKJSA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000852714491 613492347 /nfs/dbraw/zinc/49/23/47/613492347.db2.gz SIFOAYVCBBHYAB-LLVKDONJSA-N 1 2 278.308 0.088 20 30 CCEDLO CC#CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000801138781 613519115 /nfs/dbraw/zinc/51/91/15/613519115.db2.gz VNDTXQMBVWZNET-ZDUSSCGKSA-N 1 2 268.382 0.334 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC2=CCOCC2)CC1 ZINC000950062289 613561837 /nfs/dbraw/zinc/56/18/37/613561837.db2.gz KPYGKWYGIHPBHP-UHFFFAOYSA-N 1 2 262.353 0.891 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC000949336734 613563149 /nfs/dbraw/zinc/56/31/49/613563149.db2.gz TUJRARXLWZOJRP-UHFFFAOYSA-N 1 2 273.336 0.497 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948958641 613564962 /nfs/dbraw/zinc/56/49/62/613564962.db2.gz VVIPTQQKHDJLBL-CQSZACIVSA-N 1 2 286.379 0.613 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000950582049 613565138 /nfs/dbraw/zinc/56/51/38/613565138.db2.gz XTFWQFILDSYMQW-ZIAGYGMSSA-N 1 2 286.379 0.691 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298949 613587321 /nfs/dbraw/zinc/58/73/21/613587321.db2.gz LRSJMXJTGWYGOP-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298949 613587325 /nfs/dbraw/zinc/58/73/25/613587325.db2.gz LRSJMXJTGWYGOP-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933973583 613646552 /nfs/dbraw/zinc/64/65/52/613646552.db2.gz HKFIPSPIDAHDDC-UONOGXRCSA-N 1 2 280.368 0.677 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933973583 613646554 /nfs/dbraw/zinc/64/65/54/613646554.db2.gz HKFIPSPIDAHDDC-UONOGXRCSA-N 1 2 280.368 0.677 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC000957129648 613655064 /nfs/dbraw/zinc/65/50/64/613655064.db2.gz GOZHOELGGCTXSY-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO CC(=NNc1[nH+]ccn1C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811649381 613657751 /nfs/dbraw/zinc/65/77/51/613657751.db2.gz KWYYYTOGOGJUKO-UHFFFAOYSA-N 1 2 298.306 0.786 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000981494203 613688326 /nfs/dbraw/zinc/68/83/26/613688326.db2.gz GMUJQXMQNCDZEW-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000981494203 613688327 /nfs/dbraw/zinc/68/83/27/613688327.db2.gz GMUJQXMQNCDZEW-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC000949190291 613710031 /nfs/dbraw/zinc/71/00/31/613710031.db2.gz BYKGZFQVRIOFGH-UHFFFAOYSA-N 1 2 262.357 0.830 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COCCN2CCCC)CC1 ZINC000949464968 613711941 /nfs/dbraw/zinc/71/19/41/613711941.db2.gz OVXRMPVVNVSTRG-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CCN1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000949464968 613711943 /nfs/dbraw/zinc/71/19/43/613711943.db2.gz OVXRMPVVNVSTRG-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CCN1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000949464968 613711944 /nfs/dbraw/zinc/71/19/44/613711944.db2.gz OVXRMPVVNVSTRG-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC000949241412 613717523 /nfs/dbraw/zinc/71/75/23/613717523.db2.gz VOMWGCPAOBRTQY-UHFFFAOYSA-N 1 2 262.313 0.429 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)CCc2cnccn2)C1=O ZINC000840043499 613719721 /nfs/dbraw/zinc/71/97/21/613719721.db2.gz RKJDPAFVMNLPMC-UHFFFAOYSA-N 1 2 275.356 0.832 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)CCc2cnccn2)C1=O ZINC000840043499 613719724 /nfs/dbraw/zinc/71/97/24/613719724.db2.gz RKJDPAFVMNLPMC-UHFFFAOYSA-N 1 2 275.356 0.832 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972378338 613722469 /nfs/dbraw/zinc/72/24/69/613722469.db2.gz QSNLPXHRJFJSFO-INIZCTEOSA-N 1 2 274.364 0.889 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972378338 613722473 /nfs/dbraw/zinc/72/24/73/613722473.db2.gz QSNLPXHRJFJSFO-INIZCTEOSA-N 1 2 274.364 0.889 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972365329 613723382 /nfs/dbraw/zinc/72/33/82/613723382.db2.gz RYUDXVPCOBHNFU-HNNXBMFYSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972365329 613723386 /nfs/dbraw/zinc/72/33/86/613723386.db2.gz RYUDXVPCOBHNFU-HNNXBMFYSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934483056 613849804 /nfs/dbraw/zinc/84/98/04/613849804.db2.gz LMKRHBCOORUGEE-CQSZACIVSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934483056 613849806 /nfs/dbraw/zinc/84/98/06/613849806.db2.gz LMKRHBCOORUGEE-CQSZACIVSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000849280172 613857344 /nfs/dbraw/zinc/85/73/44/613857344.db2.gz BWKFYFCOUCPAMY-MNOVXSKESA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000849280172 613857346 /nfs/dbraw/zinc/85/73/46/613857346.db2.gz BWKFYFCOUCPAMY-MNOVXSKESA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000884143964 613877887 /nfs/dbraw/zinc/87/78/87/613877887.db2.gz WIWNJALKWKQFHX-VWYCJHECSA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000884373465 613877911 /nfs/dbraw/zinc/87/79/11/613877911.db2.gz NLVXEJSLYQURJH-WOPDTQHZSA-N 1 2 282.340 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OC[C@H]1C ZINC000884087524 613878014 /nfs/dbraw/zinc/87/80/14/613878014.db2.gz GGKKCZQEXUEGLP-VWYCJHECSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccco1 ZINC000884238339 613878299 /nfs/dbraw/zinc/87/82/99/613878299.db2.gz ZHWBTOCQRPGCEB-JTQLQIEISA-N 1 2 252.270 0.342 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)cn1 ZINC000884222205 613878312 /nfs/dbraw/zinc/87/83/12/613878312.db2.gz KMQOTDRLRYKAQK-NSHDSACASA-N 1 2 281.287 0.284 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1F ZINC000884050865 613878390 /nfs/dbraw/zinc/87/83/90/613878390.db2.gz OEDPJGVJMAIAEE-LBPRGKRZSA-N 1 2 280.299 0.889 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000884319747 613878726 /nfs/dbraw/zinc/87/87/26/613878726.db2.gz CJSOBIOMDMVFBL-AVGNSLFASA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cnn(C)c1 ZINC000884133436 613878781 /nfs/dbraw/zinc/87/87/81/613878781.db2.gz YRAHBQUGGRXYOF-KOLCDFICSA-N 1 2 280.328 0.044 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CC)c1 ZINC000884087312 613878926 /nfs/dbraw/zinc/87/89/26/613878926.db2.gz YVTUNMLVSJVLBL-JTQLQIEISA-N 1 2 266.301 0.288 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cnn1C ZINC000884399041 613879002 /nfs/dbraw/zinc/87/90/02/613879002.db2.gz UOVQLSRWGMRCSB-VIFPVBQESA-N 1 2 266.301 0.114 20 30 CCEDLO C=CCOCCCNC(=O)NCc1c[nH+]cn1C ZINC000852344460 613880129 /nfs/dbraw/zinc/88/01/29/613880129.db2.gz TXKMJDLJUSMCJQ-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO C=CCONC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000838706923 613883527 /nfs/dbraw/zinc/88/35/27/613883527.db2.gz VXHTTWQYWNTHMP-LBPRGKRZSA-N 1 2 269.345 0.610 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844474166 613885104 /nfs/dbraw/zinc/88/51/04/613885104.db2.gz QNLBSZOQHVBSNT-LLVKDONJSA-N 1 2 285.369 0.551 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900481449 614071605 /nfs/dbraw/zinc/07/16/05/614071605.db2.gz ZAZYWIWCXNTXFI-CYBMUJFWSA-N 1 2 275.356 0.645 20 30 CCEDLO CC(C)C[C@@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865112868 614180020 /nfs/dbraw/zinc/18/00/20/614180020.db2.gz DMCTYJBETMYXBV-OOPCZODUSA-N 1 2 265.357 0.929 20 30 CCEDLO CC(C)(C#N)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935319884 614285931 /nfs/dbraw/zinc/28/59/31/614285931.db2.gz BSQVHUXSKINWHI-OLZOCXBDSA-N 1 2 295.383 0.532 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461693 614326269 /nfs/dbraw/zinc/32/62/69/614326269.db2.gz YDJVLCPSVYFLNB-CYBMUJFWSA-N 1 2 260.341 0.552 20 30 CCEDLO CCCCNC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801909725 614419894 /nfs/dbraw/zinc/41/98/94/614419894.db2.gz GFMRZUZNMGZZRQ-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO CC1(C)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H]1C#N ZINC000867832444 614526942 /nfs/dbraw/zinc/52/69/42/614526942.db2.gz MZBILQZQDDQWND-GHMZBOCLSA-N 1 2 262.313 0.984 20 30 CCEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000796164833 615062716 /nfs/dbraw/zinc/06/27/16/615062716.db2.gz ZAUWDQDQOVLOPR-LBPRGKRZSA-N 1 2 296.371 0.617 20 30 CCEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000796164833 615062718 /nfs/dbraw/zinc/06/27/18/615062718.db2.gz ZAUWDQDQOVLOPR-LBPRGKRZSA-N 1 2 296.371 0.617 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474089 615186381 /nfs/dbraw/zinc/18/63/81/615186381.db2.gz NABAWEHYJXKSMP-RYUDHWBXSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474089 615186383 /nfs/dbraw/zinc/18/63/83/615186383.db2.gz NABAWEHYJXKSMP-RYUDHWBXSA-N 1 2 297.355 0.011 20 30 CCEDLO CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCc1nc(C#N)cs1 ZINC000902444456 615388527 /nfs/dbraw/zinc/38/85/27/615388527.db2.gz HLUNYYXRURHCHI-KOLCDFICSA-N 1 2 280.353 0.398 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C#N ZINC000928640804 615714729 /nfs/dbraw/zinc/71/47/29/615714729.db2.gz SHQCJUXJTWYYSV-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C#N)CCCOC1 ZINC000928634352 615718931 /nfs/dbraw/zinc/71/89/31/615718931.db2.gz JGBDUOKZZIBMKL-HIFRSBDPSA-N 1 2 295.383 0.534 20 30 CCEDLO CN(C)C(=S)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872350002 615838245 /nfs/dbraw/zinc/83/82/45/615838245.db2.gz KQMOJHMSDMQPEU-JTQLQIEISA-N 1 2 272.443 0.990 20 30 CCEDLO CN(C)C(=S)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872350002 615838247 /nfs/dbraw/zinc/83/82/47/615838247.db2.gz KQMOJHMSDMQPEU-JTQLQIEISA-N 1 2 272.443 0.990 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000913521411 615860071 /nfs/dbraw/zinc/86/00/71/615860071.db2.gz YJHXFELSECARJY-UHFFFAOYSA-N 1 2 283.335 0.767 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](CCO)C(F)(F)F ZINC000905493822 616067654 /nfs/dbraw/zinc/06/76/54/616067654.db2.gz ZDCPZKVHVLHESZ-UWVGGRQHSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](CCO)C(F)(F)F ZINC000905493822 616067655 /nfs/dbraw/zinc/06/76/55/616067655.db2.gz ZDCPZKVHVLHESZ-UWVGGRQHSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@H+](CCCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000799363440 616075948 /nfs/dbraw/zinc/07/59/48/616075948.db2.gz DEQVOWKGKFUFIF-UHFFFAOYSA-N 1 2 286.335 0.734 20 30 CCEDLO C[N@@H+](CCCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000799363440 616075949 /nfs/dbraw/zinc/07/59/49/616075949.db2.gz DEQVOWKGKFUFIF-UHFFFAOYSA-N 1 2 286.335 0.734 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2cccs2)C[C@@H]1CO ZINC000913542281 616220188 /nfs/dbraw/zinc/22/01/88/616220188.db2.gz GRIYBCSTGXWHCO-LLVKDONJSA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2cccs2)C[C@@H]1CO ZINC000913542281 616220189 /nfs/dbraw/zinc/22/01/89/616220189.db2.gz GRIYBCSTGXWHCO-LLVKDONJSA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1CO ZINC000913544347 616230360 /nfs/dbraw/zinc/23/03/60/616230360.db2.gz CGSVZKLQWGBEEC-LBPRGKRZSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1CO ZINC000913544347 616230361 /nfs/dbraw/zinc/23/03/61/616230361.db2.gz CGSVZKLQWGBEEC-LBPRGKRZSA-N 1 2 277.299 0.446 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000930957415 616326204 /nfs/dbraw/zinc/32/62/04/616326204.db2.gz LQLPZFVIKPLYGG-UHFFFAOYSA-N 1 2 283.372 0.689 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H](C#N)C2)nn1 ZINC000932149789 616730053 /nfs/dbraw/zinc/73/00/53/616730053.db2.gz BLFSLUWYJZHDNW-LLVKDONJSA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CCC[C@H](C#N)C2)nn1 ZINC000932149789 616730055 /nfs/dbraw/zinc/73/00/55/616730055.db2.gz BLFSLUWYJZHDNW-LLVKDONJSA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)N1CC(C)([NH2+]Cc2nc(C#N)cs2)C1 ZINC000894542213 616797071 /nfs/dbraw/zinc/79/70/71/616797071.db2.gz HSFYDVCLKZABDO-UHFFFAOYSA-N 1 2 266.326 0.945 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845440588 616897529 /nfs/dbraw/zinc/89/75/29/616897529.db2.gz TTZWMHKARWQWOU-NEPJUHHUSA-N 1 2 292.339 0.696 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892237932 617035444 /nfs/dbraw/zinc/03/54/44/617035444.db2.gz UHHSVCUSJXQVEU-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892237932 617035447 /nfs/dbraw/zinc/03/54/47/617035447.db2.gz UHHSVCUSJXQVEU-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCCC ZINC000934509754 622728897 /nfs/dbraw/zinc/72/88/97/622728897.db2.gz CMJPIAKWWUVABH-LLVKDONJSA-N 1 2 251.330 0.710 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCCC ZINC000934509754 622728902 /nfs/dbraw/zinc/72/89/02/622728902.db2.gz CMJPIAKWWUVABH-LLVKDONJSA-N 1 2 251.330 0.710 20 30 CCEDLO Cc1cccn2cc(CCNC(=O)NCC#CCO)[nH+]c12 ZINC000923776673 623355582 /nfs/dbraw/zinc/35/55/82/623355582.db2.gz CCHSDRXTRPKUCC-UHFFFAOYSA-N 1 2 286.335 0.480 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007707528 623858515 /nfs/dbraw/zinc/85/85/15/623858515.db2.gz SJMIKVHSSRFWOC-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001020536864 624503639 /nfs/dbraw/zinc/50/36/39/624503639.db2.gz FKNREOXKWMFJGY-SRVKXCTJSA-N 1 2 289.339 0.148 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000969981871 624568627 /nfs/dbraw/zinc/56/86/27/624568627.db2.gz QQIKMJPNPIDOHN-NEPJUHHUSA-N 1 2 287.367 0.406 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021755527 624820391 /nfs/dbraw/zinc/82/03/91/624820391.db2.gz XIJJRAGLPRNBIH-UONOGXRCSA-N 1 2 287.367 0.720 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006701071 625827197 /nfs/dbraw/zinc/82/71/97/625827197.db2.gz CTTKMQZUCNCMAM-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001006701071 625827199 /nfs/dbraw/zinc/82/71/99/625827199.db2.gz CTTKMQZUCNCMAM-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027336395 625837101 /nfs/dbraw/zinc/83/71/01/625837101.db2.gz PYWNLFOPLLWYBM-AAEUAGOBSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027336395 625837107 /nfs/dbraw/zinc/83/71/07/625837107.db2.gz PYWNLFOPLLWYBM-AAEUAGOBSA-N 1 2 290.371 0.398 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978360034 630803667 /nfs/dbraw/zinc/80/36/67/630803667.db2.gz MCHPXPZFRZEDHM-NGFQHRJXSA-N 1 2 299.378 0.263 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](NCC#N)C1 ZINC000981458357 631280704 /nfs/dbraw/zinc/28/07/04/631280704.db2.gz WUFOQCBGYQFXEX-NWDGAFQWSA-N 1 2 275.356 0.503 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010344115 631300889 /nfs/dbraw/zinc/30/08/89/631300889.db2.gz KOBRDOFPDBAZTO-MNOVXSKESA-N 1 2 258.749 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010344115 631300892 /nfs/dbraw/zinc/30/08/92/631300892.db2.gz KOBRDOFPDBAZTO-MNOVXSKESA-N 1 2 258.749 0.966 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000982131182 631379345 /nfs/dbraw/zinc/37/93/45/631379345.db2.gz SXWAXVGZEZFGDN-UHFFFAOYSA-N 1 2 287.367 0.709 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968533076 650019066 /nfs/dbraw/zinc/01/90/66/650019066.db2.gz HCNGIEFKDLBAIZ-DGCLKSJQSA-N 1 2 275.356 0.313 20 30 CCEDLO Cn1ncc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)c1N ZINC000814802335 631602428 /nfs/dbraw/zinc/60/24/28/631602428.db2.gz CODDCWHEICJBPC-UHFFFAOYSA-N 1 2 293.352 0.852 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968626776 650023933 /nfs/dbraw/zinc/02/39/33/650023933.db2.gz BGTSRLLQYNXQGA-GFCCVEGCSA-N 1 2 274.324 0.482 20 30 CCEDLO Cn1cc(C[NH2+][C@@H]2CCCN(O)C2=O)c(Cl)n1 ZINC000895158196 631990406 /nfs/dbraw/zinc/99/04/06/631990406.db2.gz XVPDDUJOAULVCC-MRVPVSSYSA-N 1 2 258.709 0.543 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985750546 632635590 /nfs/dbraw/zinc/63/55/90/632635590.db2.gz HKABKBSDOBPODP-UHFFFAOYSA-N 1 2 275.356 0.409 20 30 CCEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799488981 632819948 /nfs/dbraw/zinc/81/99/48/632819948.db2.gz NGADCVPDTWEWDQ-ZDUSSCGKSA-N 1 2 280.416 0.768 20 30 CCEDLO C[C@H]1CN(C2CC2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799488981 632819954 /nfs/dbraw/zinc/81/99/54/632819954.db2.gz NGADCVPDTWEWDQ-ZDUSSCGKSA-N 1 2 280.416 0.768 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008518066 650117652 /nfs/dbraw/zinc/11/76/52/650117652.db2.gz NIMDAQRHSLSCHW-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008518066 650117653 /nfs/dbraw/zinc/11/76/53/650117653.db2.gz NIMDAQRHSLSCHW-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842570 650129312 /nfs/dbraw/zinc/12/93/12/650129312.db2.gz YCCWSCYIMYCUPR-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842570 650129314 /nfs/dbraw/zinc/12/93/14/650129314.db2.gz YCCWSCYIMYCUPR-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC1C[C@H](C)O[C@@H](C)C1 ZINC000901310728 634223910 /nfs/dbraw/zinc/22/39/10/634223910.db2.gz ODOZFTYZRBYBHX-IUCAKERBSA-N 1 2 279.344 0.947 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CCCOC1 ZINC000913439483 636807518 /nfs/dbraw/zinc/80/75/18/636807518.db2.gz DXVHGKPQPNHJTQ-TZMCWYRMSA-N 1 2 289.339 0.203 20 30 CCEDLO C[C@H]1CN(C(=O)C[NH+]2CCC(C#N)CC2)CCO1 ZINC000057879526 636928219 /nfs/dbraw/zinc/92/82/19/636928219.db2.gz GHXOWXINPZXBLE-NSHDSACASA-N 1 2 251.330 0.469 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172389878 637173670 /nfs/dbraw/zinc/17/36/70/637173670.db2.gz LECLNWCBQBSWEG-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172389878 637173675 /nfs/dbraw/zinc/17/36/75/637173675.db2.gz LECLNWCBQBSWEG-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992150563 637324634 /nfs/dbraw/zinc/32/46/34/637324634.db2.gz HZYGODKXEFUWEJ-RISCZKNCSA-N 1 2 276.315 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992150563 637324636 /nfs/dbraw/zinc/32/46/36/637324636.db2.gz HZYGODKXEFUWEJ-RISCZKNCSA-N 1 2 276.315 0.909 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC000992279137 637353014 /nfs/dbraw/zinc/35/30/14/637353014.db2.gz XYRNGJIFUBUETM-JSGCOSHPSA-N 1 2 273.340 0.589 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992520278 637461925 /nfs/dbraw/zinc/46/19/25/637461925.db2.gz FVXBWMSGIFCKKX-OCCSQVGLSA-N 1 2 273.340 0.520 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993677142 637831153 /nfs/dbraw/zinc/83/11/53/637831153.db2.gz YAOHOXUHDMUJPM-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993677142 637831156 /nfs/dbraw/zinc/83/11/56/637831156.db2.gz YAOHOXUHDMUJPM-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921411083 638178692 /nfs/dbraw/zinc/17/86/92/638178692.db2.gz KSXWXGFUJGZNSY-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921411083 638178698 /nfs/dbraw/zinc/17/86/98/638178698.db2.gz KSXWXGFUJGZNSY-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000948110439 638227819 /nfs/dbraw/zinc/22/78/19/638227819.db2.gz YYJDMUVDHKCFNL-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180777102 638279786 /nfs/dbraw/zinc/27/97/86/638279786.db2.gz WCNRDPDGAPENIQ-GQCTYLIASA-N 1 2 286.331 0.888 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000182630237 638496277 /nfs/dbraw/zinc/49/62/77/638496277.db2.gz CANJHOMDUUINFI-LBPRGKRZSA-N 1 2 255.318 0.409 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000182630237 638496283 /nfs/dbraw/zinc/49/62/83/638496283.db2.gz CANJHOMDUUINFI-LBPRGKRZSA-N 1 2 255.318 0.409 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000941930850 638588606 /nfs/dbraw/zinc/58/86/06/638588606.db2.gz OWCPOURILWIOAI-GXSJLCMTSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374338 650444527 /nfs/dbraw/zinc/44/45/27/650444527.db2.gz HLNQLYRGZZNWLB-JTQLQIEISA-N 1 2 283.763 0.599 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374338 650444528 /nfs/dbraw/zinc/44/45/28/650444528.db2.gz HLNQLYRGZZNWLB-JTQLQIEISA-N 1 2 283.763 0.599 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185985797 638794234 /nfs/dbraw/zinc/79/42/34/638794234.db2.gz ZDOBMSIAJYTJAR-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185985797 638794235 /nfs/dbraw/zinc/79/42/35/638794235.db2.gz ZDOBMSIAJYTJAR-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996449314 638819558 /nfs/dbraw/zinc/81/95/58/638819558.db2.gz FAPMJCNBYBEKAD-UHFFFAOYSA-N 1 2 290.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016140909 638971189 /nfs/dbraw/zinc/97/11/89/638971189.db2.gz IZQYVMAXEZYJAE-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016140909 638971190 /nfs/dbraw/zinc/97/11/90/638971190.db2.gz IZQYVMAXEZYJAE-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](NCC#N)C1 ZINC001000793975 639168249 /nfs/dbraw/zinc/16/82/49/639168249.db2.gz FWKOIAFFTDUUDG-NSHDSACASA-N 1 2 261.329 0.365 20 30 CCEDLO C#CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCC1 ZINC000922217027 639582332 /nfs/dbraw/zinc/58/23/32/639582332.db2.gz CMQSJMLRVSXOLN-WAYWQWQTSA-N 1 2 262.353 0.937 20 30 CCEDLO C[C@H](C(=O)OCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000798739822 640521102 /nfs/dbraw/zinc/52/11/02/640521102.db2.gz CIUWWVBIJMLQIC-SNVBAGLBSA-N 1 2 274.284 0.541 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC3(CCO3)CC2)c1=O ZINC000799955512 640602379 /nfs/dbraw/zinc/60/23/79/640602379.db2.gz HVMHETIICXBNFX-UHFFFAOYSA-N 1 2 259.309 0.932 20 30 CCEDLO Cc1csc(N2CC[NH+](C[C@H](O)CC#N)CC2)n1 ZINC000809572174 640900251 /nfs/dbraw/zinc/90/02/51/640900251.db2.gz IOIMLZAWLFPAFT-LLVKDONJSA-N 1 2 266.370 0.848 20 30 CCEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000815882910 641128687 /nfs/dbraw/zinc/12/86/87/641128687.db2.gz PTOSEAQYECFNDW-UHFFFAOYSA-N 1 2 288.351 0.876 20 30 CCEDLO O=C(CCn1cc[nH+]c1)NCc1ccc(C(=O)NO)cc1 ZINC000819551660 641418084 /nfs/dbraw/zinc/41/80/84/641418084.db2.gz HEDJHVZBDVNIPQ-UHFFFAOYSA-N 1 2 288.307 0.709 20 30 CCEDLO O=C(N[C@H]1CCN(O)C1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820120921 641460103 /nfs/dbraw/zinc/46/01/03/641460103.db2.gz UNDDCDUCYVLSGD-VIFPVBQESA-N 1 2 260.253 0.283 20 30 CCEDLO FC(F)(F)[C@H]1CC(=NNC2=[NH+]CCN2)CCO1 ZINC000841659384 642828803 /nfs/dbraw/zinc/82/88/03/642828803.db2.gz JWLRXCQTMVWBBA-SSDOTTSWSA-N 1 2 250.224 0.633 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH]n1 ZINC001017429272 650801737 /nfs/dbraw/zinc/80/17/37/650801737.db2.gz DRDNOCDDVYEFOD-BETUJISGSA-N 1 2 258.325 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH]n1 ZINC001017429272 650801738 /nfs/dbraw/zinc/80/17/38/650801738.db2.gz DRDNOCDDVYEFOD-BETUJISGSA-N 1 2 258.325 0.261 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CNC(=O)C1 ZINC001017765112 650820773 /nfs/dbraw/zinc/82/07/73/650820773.db2.gz OYBFRRDNZBNXNG-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CNC(=O)C1 ZINC001017765112 650820775 /nfs/dbraw/zinc/82/07/75/650820775.db2.gz OYBFRRDNZBNXNG-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cn1 ZINC001017858516 650827014 /nfs/dbraw/zinc/82/70/14/650827014.db2.gz GQGQKZPHVOCKJX-TXEJJXNPSA-N 1 2 286.335 0.082 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cn1 ZINC001017858516 650827017 /nfs/dbraw/zinc/82/70/17/650827017.db2.gz GQGQKZPHVOCKJX-TXEJJXNPSA-N 1 2 286.335 0.082 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOC2 ZINC001018157305 650845983 /nfs/dbraw/zinc/84/59/83/650845983.db2.gz OIBAQWPCNKWTGA-FQLMCAECSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOC2 ZINC001018157305 650845984 /nfs/dbraw/zinc/84/59/84/650845984.db2.gz OIBAQWPCNKWTGA-FQLMCAECSA-N 1 2 274.364 0.721 20 30 CCEDLO N#C[C@]1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCCOC1 ZINC000865140335 645328434 /nfs/dbraw/zinc/32/84/34/645328434.db2.gz XXKCBSFQGWDTQS-OAHLLOKOSA-N 1 2 287.319 0.992 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020308477 651058232 /nfs/dbraw/zinc/05/82/32/651058232.db2.gz FZQHHTGSPGWHBI-SRVKXCTJSA-N 1 2 273.340 0.206 20 30 CCEDLO C[S@](=N)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000879943708 647131454 /nfs/dbraw/zinc/13/14/54/647131454.db2.gz IYVYXOZJAMMLMH-QGZVFWFLSA-N 1 2 276.431 0.842 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879971078 647136508 /nfs/dbraw/zinc/13/65/08/647136508.db2.gz LDRJIVHQPBCYQM-UHFFFAOYSA-N 1 2 261.325 0.520 20 30 CCEDLO COCC[N@H+](C)Cc1cn(CCO[C@@H](C)C#N)nn1 ZINC000881323754 647302795 /nfs/dbraw/zinc/30/27/95/647302795.db2.gz PGHMJAJSKVFQNZ-NSHDSACASA-N 1 2 267.333 0.285 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(CCO[C@@H](C)C#N)nn1 ZINC000881323754 647302798 /nfs/dbraw/zinc/30/27/98/647302798.db2.gz PGHMJAJSKVFQNZ-NSHDSACASA-N 1 2 267.333 0.285 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000881892360 647347441 /nfs/dbraw/zinc/34/74/41/647347441.db2.gz UCOIROKWGKRAHC-SNVBAGLBSA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000881892360 647347443 /nfs/dbraw/zinc/34/74/43/647347443.db2.gz UCOIROKWGKRAHC-SNVBAGLBSA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1C ZINC000136063526 647867329 /nfs/dbraw/zinc/86/73/29/647867329.db2.gz NMQPCOGEDNNTPB-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000887686908 648142963 /nfs/dbraw/zinc/14/29/63/648142963.db2.gz RBRSWQXVSHQTLQ-RISCZKNCSA-N 1 2 274.324 0.587 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C[C@H](C)C#N ZINC000929473875 648742845 /nfs/dbraw/zinc/74/28/45/648742845.db2.gz GYVINFKCIFVKCC-RDBSUJKOSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C[C@H](C)C#N ZINC000929473875 648742850 /nfs/dbraw/zinc/74/28/50/648742850.db2.gz GYVINFKCIFVKCC-RDBSUJKOSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000930866629 648918621 /nfs/dbraw/zinc/91/86/21/648918621.db2.gz DSRLAISLADJQDE-QWRGUYRKSA-N 1 2 253.346 0.904 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000932157628 649053853 /nfs/dbraw/zinc/05/38/53/649053853.db2.gz MQPYEJGBRPUIDU-CHWSQXEVSA-N 1 2 268.357 0.778 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000932157628 649053860 /nfs/dbraw/zinc/05/38/60/649053860.db2.gz MQPYEJGBRPUIDU-CHWSQXEVSA-N 1 2 268.357 0.778 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932826159 649092805 /nfs/dbraw/zinc/09/28/05/649092805.db2.gz UEUVHXAMUYVSFY-UHFFFAOYSA-N 1 2 293.289 0.653 20 30 CCEDLO C[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000194041001 649567469 /nfs/dbraw/zinc/56/74/69/649567469.db2.gz AGSINBFXNJULDX-UHFFFAOYSA-N 1 2 259.309 0.977 20 30 CCEDLO CCCOC(=O)[C@@H](C)N(CCC#N)CC[NH+]1CCOCC1 ZINC000081157973 649574485 /nfs/dbraw/zinc/57/44/85/649574485.db2.gz YXDPWVHJQNREJU-CQSZACIVSA-N 1 2 297.399 0.876 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968846 649665959 /nfs/dbraw/zinc/66/59/59/649665959.db2.gz DSSBLBADZFTJOL-UHFFFAOYSA-N 1 2 264.247 0.125 20 30 CCEDLO C[N@H+](CCNC(=O)CCC1CCC1)CC(=O)NCC#N ZINC001266265659 790355040 /nfs/dbraw/zinc/35/50/40/790355040.db2.gz KLSUMAGVNRVHTD-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)CCC1CCC1)CC(=O)NCC#N ZINC001266265659 790355047 /nfs/dbraw/zinc/35/50/47/790355047.db2.gz KLSUMAGVNRVHTD-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1conc1C ZINC001266274749 790378438 /nfs/dbraw/zinc/37/84/38/790378438.db2.gz AEDCQERLEDAIQK-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1conc1C ZINC001266274749 790378448 /nfs/dbraw/zinc/37/84/48/790378448.db2.gz AEDCQERLEDAIQK-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001266308227 790482753 /nfs/dbraw/zinc/48/27/53/790482753.db2.gz RTISTSAKHORDLK-CYBMUJFWSA-N 1 2 292.383 0.622 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001266308227 790482760 /nfs/dbraw/zinc/48/27/60/790482760.db2.gz RTISTSAKHORDLK-CYBMUJFWSA-N 1 2 292.383 0.622 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001266311022 790487531 /nfs/dbraw/zinc/48/75/31/790487531.db2.gz PPVVXKFJVZGPJC-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001266311022 790487538 /nfs/dbraw/zinc/48/75/38/790487538.db2.gz PPVVXKFJVZGPJC-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001266319712 790499464 /nfs/dbraw/zinc/49/94/64/790499464.db2.gz QQOIDJBQHFZHIN-CNELAYHGSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001266319712 790499470 /nfs/dbraw/zinc/49/94/70/790499470.db2.gz QQOIDJBQHFZHIN-CNELAYHGSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001266345436 790555943 /nfs/dbraw/zinc/55/59/43/790555943.db2.gz UBSIBAVKAQVUCG-STQMWFEESA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001266345436 790555954 /nfs/dbraw/zinc/55/59/54/790555954.db2.gz UBSIBAVKAQVUCG-STQMWFEESA-N 1 2 289.379 0.117 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001266350258 790564465 /nfs/dbraw/zinc/56/44/65/790564465.db2.gz IYIOQZSDRAMKSL-VIFPVBQESA-N 1 2 259.737 0.066 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001266350258 790564477 /nfs/dbraw/zinc/56/44/77/790564477.db2.gz IYIOQZSDRAMKSL-VIFPVBQESA-N 1 2 259.737 0.066 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)C1 ZINC001266349993 790565380 /nfs/dbraw/zinc/56/53/80/790565380.db2.gz OSPUGXUGUYWWFU-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2oncc2C)C1 ZINC001266349993 790565388 /nfs/dbraw/zinc/56/53/88/790565388.db2.gz OSPUGXUGUYWWFU-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)CC ZINC001266477077 790771868 /nfs/dbraw/zinc/77/18/68/790771868.db2.gz IQWAOJMWPXLHHK-NWDGAFQWSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)CC ZINC001266477077 790771879 /nfs/dbraw/zinc/77/18/79/790771879.db2.gz IQWAOJMWPXLHHK-NWDGAFQWSA-N 1 2 283.347 0.065 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(CNCC#N)CC1 ZINC001167422602 791056430 /nfs/dbraw/zinc/05/64/30/791056430.db2.gz UDAONVUGXGMBTO-GFCCVEGCSA-N 1 2 289.383 0.988 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230710554 805655842 /nfs/dbraw/zinc/65/58/42/805655842.db2.gz OVWBWIAUHCLYNI-LBPRGKRZSA-N 1 2 270.398 0.532 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230710554 805655843 /nfs/dbraw/zinc/65/58/43/805655843.db2.gz OVWBWIAUHCLYNI-LBPRGKRZSA-N 1 2 270.398 0.532 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001231062400 805719503 /nfs/dbraw/zinc/71/95/03/805719503.db2.gz PNJNXKUYPATPRD-KBPBESRZSA-N 1 2 280.368 0.205 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001231062400 805719501 /nfs/dbraw/zinc/71/95/01/805719501.db2.gz PNJNXKUYPATPRD-KBPBESRZSA-N 1 2 280.368 0.205 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001231121725 805734797 /nfs/dbraw/zinc/73/47/97/805734797.db2.gz HLJYSSGXUXDJBJ-MNOVXSKESA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001231121725 805734800 /nfs/dbraw/zinc/73/48/00/805734800.db2.gz HLJYSSGXUXDJBJ-MNOVXSKESA-N 1 2 253.346 0.359 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001231246943 805759053 /nfs/dbraw/zinc/75/90/53/805759053.db2.gz JBLLNFUBPUMHBP-NWDGAFQWSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001231246943 805759055 /nfs/dbraw/zinc/75/90/55/805759055.db2.gz JBLLNFUBPUMHBP-NWDGAFQWSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001231292772 805770065 /nfs/dbraw/zinc/77/00/65/805770065.db2.gz FXBQOBIPHIIBOA-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001231292772 805770069 /nfs/dbraw/zinc/77/00/69/805770069.db2.gz FXBQOBIPHIIBOA-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C1C[NH+](CCOCC2CC2)C1 ZINC001277585331 805867184 /nfs/dbraw/zinc/86/71/84/805867184.db2.gz ACPCIBPWICNXQX-MRXNPFEDSA-N 1 2 296.411 0.883 20 30 CCEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H](CNCC#N)C1CC1 ZINC001277655123 805933043 /nfs/dbraw/zinc/93/30/43/805933043.db2.gz JZDVFIKEZQVSMA-CYBMUJFWSA-N 1 2 275.356 0.692 20 30 CCEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H](CNCC#N)C1CC1 ZINC001277655123 805933047 /nfs/dbraw/zinc/93/30/47/805933047.db2.gz JZDVFIKEZQVSMA-CYBMUJFWSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@]1(O)COCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674176 805969664 /nfs/dbraw/zinc/96/96/64/805969664.db2.gz SNCVOMOVNUPDDI-CQSZACIVSA-N 1 2 262.309 0.847 20 30 CCEDLO C[C@]1(O)COCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674176 805969667 /nfs/dbraw/zinc/96/96/67/805969667.db2.gz SNCVOMOVNUPDDI-CQSZACIVSA-N 1 2 262.309 0.847 20 30 CCEDLO COCC(=O)NC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047341 806011962 /nfs/dbraw/zinc/01/19/62/806011962.db2.gz WSJZNSLCRVXHQA-UHFFFAOYSA-N 1 2 276.340 0.613 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001266716735 791176260 /nfs/dbraw/zinc/17/62/60/791176260.db2.gz OKVQOKKOJRFGNJ-MXWKQRLJSA-N 1 2 261.329 0.349 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001266716735 791176264 /nfs/dbraw/zinc/17/62/64/791176264.db2.gz OKVQOKKOJRFGNJ-MXWKQRLJSA-N 1 2 261.329 0.349 20 30 CCEDLO CCOC(=O)C1(C#N)CC[NH+](CC(OC)OC)CC1 ZINC001207256859 791487405 /nfs/dbraw/zinc/48/74/05/791487405.db2.gz NVVLPDDJSAGFBY-UHFFFAOYSA-N 1 2 270.329 0.774 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3cccnc3)[C@H]2C1 ZINC001083250914 791629293 /nfs/dbraw/zinc/62/92/93/791629293.db2.gz QQWOGSDZCOTIDB-VNQPRFMTSA-N 1 2 299.374 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3cccnc3)[C@H]2C1 ZINC001083250914 791629297 /nfs/dbraw/zinc/62/92/97/791629297.db2.gz QQWOGSDZCOTIDB-VNQPRFMTSA-N 1 2 299.374 0.730 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001267198208 791659764 /nfs/dbraw/zinc/65/97/64/791659764.db2.gz HVSSNGDWNABKAM-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001267198208 791659771 /nfs/dbraw/zinc/65/97/71/791659771.db2.gz HVSSNGDWNABKAM-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCNC(=O)CSCC#N)[nH]1 ZINC001234153922 806192249 /nfs/dbraw/zinc/19/22/49/806192249.db2.gz BOUOJFXFLHMSAZ-UHFFFAOYSA-N 1 2 296.400 0.308 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCNC(=O)CSCC#N)[nH]1 ZINC001234153922 806192252 /nfs/dbraw/zinc/19/22/52/806192252.db2.gz BOUOJFXFLHMSAZ-UHFFFAOYSA-N 1 2 296.400 0.308 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214846 806204024 /nfs/dbraw/zinc/20/40/24/806204024.db2.gz FKLKUVVXPVKCNV-STQMWFEESA-N 1 2 293.411 0.833 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214846 806204028 /nfs/dbraw/zinc/20/40/28/806204028.db2.gz FKLKUVVXPVKCNV-STQMWFEESA-N 1 2 293.411 0.833 20 30 CCEDLO C[NH+]1CC(Oc2[nH]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234515569 806265855 /nfs/dbraw/zinc/26/58/55/806265855.db2.gz JGBUPAHMVQIQIA-UHFFFAOYSA-N 1 2 256.265 0.900 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234604575 806284302 /nfs/dbraw/zinc/28/43/02/806284302.db2.gz QZFMQLZVDIZJIQ-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234604575 806284310 /nfs/dbraw/zinc/28/43/10/806284310.db2.gz QZFMQLZVDIZJIQ-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001277962468 806492640 /nfs/dbraw/zinc/49/26/40/806492640.db2.gz ISMGDOKPMPKPBM-QWRGUYRKSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001277962468 806492642 /nfs/dbraw/zinc/49/26/42/806492642.db2.gz ISMGDOKPMPKPBM-QWRGUYRKSA-N 1 2 263.345 0.548 20 30 CCEDLO C=CC[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278084659 806654000 /nfs/dbraw/zinc/65/40/00/806654000.db2.gz FFGXDMZTHAQDNC-RNFRBKRXSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001278084659 806654003 /nfs/dbraw/zinc/65/40/03/806654003.db2.gz FFGXDMZTHAQDNC-RNFRBKRXSA-N 1 2 258.215 0.140 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1nccnc1C#N ZINC001120712319 798918813 /nfs/dbraw/zinc/91/88/13/798918813.db2.gz LUVJJJYVNIZKCP-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO COC(=O)c1cc(C#N)ccc1NS(=O)(=O)CC[NH3+] ZINC001237699998 806711648 /nfs/dbraw/zinc/71/16/48/806711648.db2.gz VYIIPDUUEKINKF-UHFFFAOYSA-N 1 2 283.309 0.045 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122371393 799214893 /nfs/dbraw/zinc/21/48/93/799214893.db2.gz AUOAECWKXSNCMS-CYBMUJFWSA-N 1 2 290.367 0.868 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001123795734 799476060 /nfs/dbraw/zinc/47/60/60/799476060.db2.gz SDWYHNJPLPGOMD-ZIAGYGMSSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001123795734 799476058 /nfs/dbraw/zinc/47/60/58/799476058.db2.gz SDWYHNJPLPGOMD-ZIAGYGMSSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001124054226 799546595 /nfs/dbraw/zinc/54/65/95/799546595.db2.gz HAVHYZCQNPBIIC-HNNXBMFYSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001124054226 799546596 /nfs/dbraw/zinc/54/65/96/799546596.db2.gz HAVHYZCQNPBIIC-HNNXBMFYSA-N 1 2 294.395 0.738 20 30 CCEDLO Cc1nc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001124191234 799574906 /nfs/dbraw/zinc/57/49/06/799574906.db2.gz LDUKZKSUTYGTHJ-KOLCDFICSA-N 1 2 277.328 0.176 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(OCC(N)=O)cc2)CC1 ZINC001138871394 799765219 /nfs/dbraw/zinc/76/52/19/799765219.db2.gz IOUDKTIXIGURCB-UHFFFAOYSA-N 1 2 287.363 0.302 20 30 CCEDLO C=CC[N@@H+](C)CCN(CC)C(=O)C1(S(C)(=O)=O)CC1 ZINC001139870039 799851304 /nfs/dbraw/zinc/85/13/04/799851304.db2.gz WUYIXDAYSUYZKU-UHFFFAOYSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CC[N@H+](C)CCN(CC)C(=O)C1(S(C)(=O)=O)CC1 ZINC001139870039 799851313 /nfs/dbraw/zinc/85/13/13/799851313.db2.gz WUYIXDAYSUYZKU-UHFFFAOYSA-N 1 2 288.413 0.530 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001278256587 806793539 /nfs/dbraw/zinc/79/35/39/806793539.db2.gz IQZLDUOWWZGZSP-NEPJUHHUSA-N 1 2 287.385 0.025 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001278256587 806793542 /nfs/dbraw/zinc/79/35/42/806793542.db2.gz IQZLDUOWWZGZSP-NEPJUHHUSA-N 1 2 287.385 0.025 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150246659 800326222 /nfs/dbraw/zinc/32/62/22/800326222.db2.gz GUPXWTKVCPCRAG-DOMZBBRYSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150246659 800326228 /nfs/dbraw/zinc/32/62/28/800326228.db2.gz GUPXWTKVCPCRAG-DOMZBBRYSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007141 800579983 /nfs/dbraw/zinc/57/99/83/800579983.db2.gz NKFSZBGDICMGLI-LLVKDONJSA-N 1 2 281.356 0.995 20 30 CCEDLO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007141 800579985 /nfs/dbraw/zinc/57/99/85/800579985.db2.gz NKFSZBGDICMGLI-LLVKDONJSA-N 1 2 281.356 0.995 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001153080668 800593674 /nfs/dbraw/zinc/59/36/74/800593674.db2.gz BSTFLKLTVYXNST-UHFFFAOYSA-N 1 2 268.317 0.177 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001153080974 800593869 /nfs/dbraw/zinc/59/38/69/800593869.db2.gz KFBYCLQQZGYCGC-UHFFFAOYSA-N 1 2 268.317 0.177 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc3c(cc2C#N)COCC3)C1 ZINC001155201460 800931503 /nfs/dbraw/zinc/93/15/03/800931503.db2.gz FAJPLBFLEZLREJ-CYBMUJFWSA-N 1 2 288.351 0.768 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc3c(cc2C#N)COCC3)C1 ZINC001155201460 800931504 /nfs/dbraw/zinc/93/15/04/800931504.db2.gz FAJPLBFLEZLREJ-CYBMUJFWSA-N 1 2 288.351 0.768 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659097 801089176 /nfs/dbraw/zinc/08/91/76/801089176.db2.gz CUCZWJPSGJREEH-YNEHKIRRSA-N 1 2 294.399 0.355 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659097 801089181 /nfs/dbraw/zinc/08/91/81/801089181.db2.gz CUCZWJPSGJREEH-YNEHKIRRSA-N 1 2 294.399 0.355 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(Cl)cc(C#N)n2)C[NH2+]1 ZINC001156242201 801137392 /nfs/dbraw/zinc/13/73/92/801137392.db2.gz CZIRJUYXJWFNJU-UWVGGRQHSA-N 1 2 280.715 0.922 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNC(=S)Nc1ccccc1C#N ZINC001239389523 806896772 /nfs/dbraw/zinc/89/67/72/806896772.db2.gz KTYGISVCQGBZIU-SNVBAGLBSA-N 1 2 292.364 0.735 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(Cl)cnc1C#N ZINC001157770596 801476213 /nfs/dbraw/zinc/47/62/13/801476213.db2.gz NHHTWHOIHYTOGE-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(Cl)cnc1C#N ZINC001157770596 801476217 /nfs/dbraw/zinc/47/62/17/801476217.db2.gz NHHTWHOIHYTOGE-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(Cl)cc1C#N ZINC001157772777 801479167 /nfs/dbraw/zinc/47/91/67/801479167.db2.gz ICDAZIUWYASHSY-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(Cl)cc1C#N ZINC001157772777 801479171 /nfs/dbraw/zinc/47/91/71/801479171.db2.gz ICDAZIUWYASHSY-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001157869941 801508045 /nfs/dbraw/zinc/50/80/45/801508045.db2.gz VAJDTDBKCHSDJW-GHMZBOCLSA-N 1 2 294.355 0.573 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)C[NH2+]1 ZINC001158254474 801605931 /nfs/dbraw/zinc/60/59/31/801605931.db2.gz SCAPBDSYYZFXAK-SCZZXKLOSA-N 1 2 280.715 0.922 20 30 CCEDLO N#CCNCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158513913 801660110 /nfs/dbraw/zinc/66/01/10/801660110.db2.gz CWYHLDIFXZTRBP-UHFFFAOYSA-N 1 2 275.356 0.381 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCNCC#N)[nH]n1 ZINC001158505372 801660189 /nfs/dbraw/zinc/66/01/89/801660189.db2.gz CDLWGNPBUCLQPR-CYBMUJFWSA-N 1 2 290.371 0.409 20 30 CCEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCNCC#N)[nH]n1 ZINC001158505372 801660195 /nfs/dbraw/zinc/66/01/95/801660195.db2.gz CDLWGNPBUCLQPR-CYBMUJFWSA-N 1 2 290.371 0.409 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@H]1COCC[N@H+]1C ZINC001158706963 801689353 /nfs/dbraw/zinc/68/93/53/801689353.db2.gz GDSMRRFZRYWQAO-LBPRGKRZSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@H]1COCC[N@@H+]1C ZINC001158706963 801689359 /nfs/dbraw/zinc/68/93/59/801689359.db2.gz GDSMRRFZRYWQAO-LBPRGKRZSA-N 1 2 290.367 0.740 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001160147447 801911808 /nfs/dbraw/zinc/91/18/08/801911808.db2.gz VWTICVFFLBRHIY-NSHDSACASA-N 1 2 285.303 0.692 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccnc1C ZINC001264381203 809647859 /nfs/dbraw/zinc/64/78/59/809647859.db2.gz YZXDBAKVLXDIHI-CYBMUJFWSA-N 1 2 262.357 0.910 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccnc1C ZINC001264381203 809647867 /nfs/dbraw/zinc/64/78/67/809647867.db2.gz YZXDBAKVLXDIHI-CYBMUJFWSA-N 1 2 262.357 0.910 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001265277606 809742704 /nfs/dbraw/zinc/74/27/04/809742704.db2.gz RQLHZEVXYQGCAY-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001265277606 809742708 /nfs/dbraw/zinc/74/27/08/809742708.db2.gz RQLHZEVXYQGCAY-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCC1(CNCC#N)CC1 ZINC001167733044 811727949 /nfs/dbraw/zinc/72/79/49/811727949.db2.gz SOIJTRXLSUNYFC-UHFFFAOYSA-N 1 2 275.356 0.362 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001267807657 811804318 /nfs/dbraw/zinc/80/43/18/811804318.db2.gz AKJOIGDQZQZMCV-LLVKDONJSA-N 1 2 294.403 0.797 20 30 CCEDLO N#CCNC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001268282123 812444675 /nfs/dbraw/zinc/44/46/75/812444675.db2.gz DYTDTDADFZFEMJ-QWHCGFSZSA-N 1 2 275.356 0.671 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CCC#N)CC2)cc1C#N ZINC001207106005 803353839 /nfs/dbraw/zinc/35/38/39/803353839.db2.gz HGYZFUHVAQQMDY-UHFFFAOYSA-N 1 2 257.341 0.928 20 30 CCEDLO C#CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC001207711399 803439970 /nfs/dbraw/zinc/43/99/70/803439970.db2.gz DLKAEAQPQWXUCW-UHFFFAOYSA-N 1 2 256.302 0.538 20 30 CCEDLO C#CC[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC001207711399 803439978 /nfs/dbraw/zinc/43/99/78/803439978.db2.gz DLKAEAQPQWXUCW-UHFFFAOYSA-N 1 2 256.302 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001208540983 803521077 /nfs/dbraw/zinc/52/10/77/803521077.db2.gz AKYADECVGZCKMJ-YUSALJHKSA-N 1 2 290.791 0.837 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001208540983 803521080 /nfs/dbraw/zinc/52/10/80/803521080.db2.gz AKYADECVGZCKMJ-YUSALJHKSA-N 1 2 290.791 0.837 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213271386 803687997 /nfs/dbraw/zinc/68/79/97/803687997.db2.gz WSUGCIGTIFGICX-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213271386 803688000 /nfs/dbraw/zinc/68/80/00/803688000.db2.gz WSUGCIGTIFGICX-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@H](OC)C1 ZINC001213419295 803693920 /nfs/dbraw/zinc/69/39/20/803693920.db2.gz RDOCRHLCDXSGPH-CHWSQXEVSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@H](OC)C1 ZINC001213419295 803693923 /nfs/dbraw/zinc/69/39/23/803693923.db2.gz RDOCRHLCDXSGPH-CHWSQXEVSA-N 1 2 264.369 0.871 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213462865 803694923 /nfs/dbraw/zinc/69/49/23/803694923.db2.gz USVFLAALGDKWPD-KBUPBQIOSA-N 1 2 294.395 0.498 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213462865 803694926 /nfs/dbraw/zinc/69/49/26/803694926.db2.gz USVFLAALGDKWPD-KBUPBQIOSA-N 1 2 294.395 0.498 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OCC)[C@H]2C1 ZINC001217450855 803890691 /nfs/dbraw/zinc/89/06/91/803890691.db2.gz PWFWETKIOMONAD-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OCC)[C@H]2C1 ZINC001217450855 803890700 /nfs/dbraw/zinc/89/07/00/803890700.db2.gz PWFWETKIOMONAD-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OCC)[C@H]2C1 ZINC001217442556 803891429 /nfs/dbraw/zinc/89/14/29/803891429.db2.gz KOFAKCPGJZYZBO-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OCC)[C@H]2C1 ZINC001217442556 803891437 /nfs/dbraw/zinc/89/14/37/803891437.db2.gz KOFAKCPGJZYZBO-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001218976236 804171167 /nfs/dbraw/zinc/17/11/67/804171167.db2.gz WUHNCGZFSWXAGI-ZDUSSCGKSA-N 1 2 255.281 0.761 20 30 CCEDLO C=CCCCC(=O)N(C)CC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001272098256 814998335 /nfs/dbraw/zinc/99/83/35/814998335.db2.gz PWMVGEKTAADTLE-UHFFFAOYSA-N 1 2 295.387 0.355 20 30 CCEDLO C=CCCCC(=O)N(C)CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001272098256 814998342 /nfs/dbraw/zinc/99/83/42/814998342.db2.gz PWMVGEKTAADTLE-UHFFFAOYSA-N 1 2 295.387 0.355 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CC)C[C@@H]21 ZINC001219065541 804189503 /nfs/dbraw/zinc/18/95/03/804189503.db2.gz HZQQSQZZKNIJTF-QLFBSQMISA-N 1 2 292.379 0.512 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CC)C[C@@H]21 ZINC001219065541 804189508 /nfs/dbraw/zinc/18/95/08/804189508.db2.gz HZQQSQZZKNIJTF-QLFBSQMISA-N 1 2 292.379 0.512 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219392090 804297043 /nfs/dbraw/zinc/29/70/43/804297043.db2.gz NYRYCIDDOCAPCQ-MJBXVCDLSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219392090 804297050 /nfs/dbraw/zinc/29/70/50/804297050.db2.gz NYRYCIDDOCAPCQ-MJBXVCDLSA-N 1 2 282.384 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149365 804514622 /nfs/dbraw/zinc/51/46/22/804514622.db2.gz JIDLFBISSRVXFT-IJEWVQPXSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149365 804514623 /nfs/dbraw/zinc/51/46/23/804514623.db2.gz JIDLFBISSRVXFT-IJEWVQPXSA-N 1 2 292.379 0.154 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC)CCC2)[C@@H](O)C1 ZINC001220180832 804528763 /nfs/dbraw/zinc/52/87/63/804528763.db2.gz RRYWUIAOHYHASO-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC)CCC2)[C@@H](O)C1 ZINC001220180832 804528769 /nfs/dbraw/zinc/52/87/69/804528769.db2.gz RRYWUIAOHYHASO-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)[C@@H](O)C1 ZINC001220192645 804533998 /nfs/dbraw/zinc/53/39/98/804533998.db2.gz WUEQAQAMPXSQHH-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCC2)[C@@H](O)C1 ZINC001220192645 804534004 /nfs/dbraw/zinc/53/40/04/804534004.db2.gz WUEQAQAMPXSQHH-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)Cc2ccccc2)[C@@H](O)C1 ZINC001221054920 804724595 /nfs/dbraw/zinc/72/45/95/804724595.db2.gz OYEPOSVFRKMISV-KFWWJZLASA-N 1 2 290.338 0.362 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)Cc2ccccc2)[C@@H](O)C1 ZINC001221054920 804724602 /nfs/dbraw/zinc/72/46/02/804724602.db2.gz OYEPOSVFRKMISV-KFWWJZLASA-N 1 2 290.338 0.362 20 30 CCEDLO CC(C)=CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221248575 804757064 /nfs/dbraw/zinc/75/70/64/804757064.db2.gz BINTUIRGNSWPCW-CHWSQXEVSA-N 1 2 290.367 0.125 20 30 CCEDLO CC(C)=CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221248575 804757069 /nfs/dbraw/zinc/75/70/69/804757069.db2.gz BINTUIRGNSWPCW-CHWSQXEVSA-N 1 2 290.367 0.125 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)CCC ZINC001272171672 815036384 /nfs/dbraw/zinc/03/63/84/815036384.db2.gz DKNQZDRPJWUHTF-UHFFFAOYSA-N 1 2 276.402 0.387 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)CS(=O)(=O)CCC ZINC001272171672 815036391 /nfs/dbraw/zinc/03/63/91/815036391.db2.gz DKNQZDRPJWUHTF-UHFFFAOYSA-N 1 2 276.402 0.387 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222081820 804863720 /nfs/dbraw/zinc/86/37/20/804863720.db2.gz JXVUBROQMGDAEN-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001276908260 804984161 /nfs/dbraw/zinc/98/41/61/804984161.db2.gz FJZPXSRFUMHHEG-LSDHHAIUSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001276908260 804984168 /nfs/dbraw/zinc/98/41/68/804984168.db2.gz FJZPXSRFUMHHEG-LSDHHAIUSA-N 1 2 291.395 0.505 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCC12CN(c1ccc(C#N)cc1)C2 ZINC001276958675 805019814 /nfs/dbraw/zinc/01/98/14/805019814.db2.gz TXFFFTSGNJKXPA-UHFFFAOYSA-N 1 2 284.363 0.911 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCC12CN(c1ccc(C#N)cc1)C2 ZINC001276958675 805019825 /nfs/dbraw/zinc/01/98/25/805019825.db2.gz TXFFFTSGNJKXPA-UHFFFAOYSA-N 1 2 284.363 0.911 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001276981037 805056220 /nfs/dbraw/zinc/05/62/20/805056220.db2.gz YYSHXILVHVHZHV-LBPRGKRZSA-N 1 2 282.347 0.929 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001276981037 805056230 /nfs/dbraw/zinc/05/62/30/805056230.db2.gz YYSHXILVHVHZHV-LBPRGKRZSA-N 1 2 282.347 0.929 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225886380 805173111 /nfs/dbraw/zinc/17/31/11/805173111.db2.gz XBHAPTDJNBIMGF-TZYSGJHYSA-N 1 2 267.260 0.313 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225886380 805173114 /nfs/dbraw/zinc/17/31/14/805173114.db2.gz XBHAPTDJNBIMGF-TZYSGJHYSA-N 1 2 267.260 0.313 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)no1 ZINC001226150672 805198478 /nfs/dbraw/zinc/19/84/78/805198478.db2.gz MQYBUMNHENRIGF-NTBMCGCHSA-N 1 2 280.280 0.452 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)no1 ZINC001226150672 805198484 /nfs/dbraw/zinc/19/84/84/805198484.db2.gz MQYBUMNHENRIGF-NTBMCGCHSA-N 1 2 280.280 0.452 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1CC#N ZINC001088679196 815057061 /nfs/dbraw/zinc/05/70/61/815057061.db2.gz ITZSJJYTFVMHBY-DYEKYZERSA-N 1 2 287.367 0.548 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001226625590 805257481 /nfs/dbraw/zinc/25/74/81/805257481.db2.gz MNQUEGQCJAXIIJ-SNVBAGLBSA-N 1 2 276.344 0.055 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226626273 805257982 /nfs/dbraw/zinc/25/79/82/805257982.db2.gz XAAKVEIOYGJBRU-VIFPVBQESA-N 1 2 277.328 0.618 20 30 CCEDLO Cn1ccnc1C[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227232912 805332811 /nfs/dbraw/zinc/33/28/11/805332811.db2.gz MEKFIIFOGWVARW-UHFFFAOYSA-N 1 2 286.379 0.914 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)ncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228483483 805450749 /nfs/dbraw/zinc/45/07/49/805450749.db2.gz TZXWRXOCQDSDEM-TZYSGJHYSA-N 1 2 283.715 0.827 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)ncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228483483 805450756 /nfs/dbraw/zinc/45/07/56/805450756.db2.gz TZXWRXOCQDSDEM-TZYSGJHYSA-N 1 2 283.715 0.827 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232523 807194482 /nfs/dbraw/zinc/19/44/82/807194482.db2.gz XBRBZOVJMVHSKT-AVGNSLFASA-N 1 2 277.299 0.883 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)CN1 ZINC001246849425 807404878 /nfs/dbraw/zinc/40/48/78/807404878.db2.gz RFHXIDAXFUUTNH-MNOVXSKESA-N 1 2 251.330 0.516 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126816205 815132215 /nfs/dbraw/zinc/13/22/15/815132215.db2.gz VRPINTCIYDALIO-LLVKDONJSA-N 1 2 294.355 0.642 20 30 CCEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c(O)cc1F ZINC001251028862 807648106 /nfs/dbraw/zinc/64/81/06/807648106.db2.gz QUIWHBDIXIYELT-NSHDSACASA-N 1 2 295.314 0.508 20 30 CCEDLO N#Cc1ccc(F)c(F)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033657 807649114 /nfs/dbraw/zinc/64/91/14/807649114.db2.gz NDVUZKHVUNCJDR-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)CNc1[nH+]cccc1OCC ZINC001251823245 807709696 /nfs/dbraw/zinc/70/96/96/807709696.db2.gz DRWYFDNDHMOZAF-NSHDSACASA-N 1 2 250.298 0.903 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001251855457 807722920 /nfs/dbraw/zinc/72/29/20/807722920.db2.gz XWJDURWQJZHDIM-AWEZNQCLSA-N 1 2 261.321 0.812 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001251855457 807722924 /nfs/dbraw/zinc/72/29/24/807722924.db2.gz XWJDURWQJZHDIM-AWEZNQCLSA-N 1 2 261.321 0.812 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126827809 815142314 /nfs/dbraw/zinc/14/23/14/815142314.db2.gz CGULIRGPIBQPKB-UHFFFAOYSA-N 1 2 260.341 0.650 20 30 CCEDLO CCOc1nnc(C[NH2+]CCNC(=O)C#CC(C)C)s1 ZINC001126834122 815146977 /nfs/dbraw/zinc/14/69/77/815146977.db2.gz KBQULWZVUOOPBG-UHFFFAOYSA-N 1 2 296.396 0.802 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC001252468341 807879783 /nfs/dbraw/zinc/87/97/83/807879783.db2.gz MRJDUFMLZOFNNY-LLVKDONJSA-N 1 2 282.306 0.730 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CC(=O)N(CC)C[C@H]1C ZINC001252473176 807885928 /nfs/dbraw/zinc/88/59/28/807885928.db2.gz IAVVIRDYJYUYLF-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CC(=O)N(CC)C[C@H]1C ZINC001252473176 807885935 /nfs/dbraw/zinc/88/59/35/807885935.db2.gz IAVVIRDYJYUYLF-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253578048 808085577 /nfs/dbraw/zinc/08/55/77/808085577.db2.gz UQCHSJUSODNAOV-MNOVXSKESA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253578048 808085581 /nfs/dbraw/zinc/08/55/81/808085581.db2.gz UQCHSJUSODNAOV-MNOVXSKESA-N 1 2 266.345 0.298 20 30 CCEDLO N#C[C@H]1CC[C@@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001254669591 808271653 /nfs/dbraw/zinc/27/16/53/808271653.db2.gz TVKOLTKWNNCLML-JKSUJKDBSA-N 1 2 292.427 0.628 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCOCC2CC2)C1 ZINC001278864045 808354714 /nfs/dbraw/zinc/35/47/14/808354714.db2.gz QMRLPVOOPQMSHT-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@@H](O)C1 ZINC001083519031 815203159 /nfs/dbraw/zinc/20/31/59/815203159.db2.gz ARSLXKKHPULMIM-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@@H](O)C1 ZINC001083519031 815203163 /nfs/dbraw/zinc/20/31/63/815203163.db2.gz ARSLXKKHPULMIM-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001278900375 808446193 /nfs/dbraw/zinc/44/61/93/808446193.db2.gz SHLXOCSPQMKIQJ-CYBMUJFWSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3cccnc32)[C@@H](O)C1 ZINC001083533724 815229051 /nfs/dbraw/zinc/22/90/51/815229051.db2.gz GZFMPKNTZSTZLK-OLZOCXBDSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3cccnc32)[C@@H](O)C1 ZINC001083533724 815229056 /nfs/dbraw/zinc/22/90/56/815229056.db2.gz GZFMPKNTZSTZLK-OLZOCXBDSA-N 1 2 296.330 0.038 20 30 CCEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CC[C@@H]2C1=O)[C@H](C)COC ZINC001262051056 809173895 /nfs/dbraw/zinc/17/38/95/809173895.db2.gz CBKPAMSFEIPCRX-UTUOFQBUSA-N 1 2 266.341 0.862 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CC[C@@H]2C1=O)[C@H](C)COC ZINC001262051056 809173898 /nfs/dbraw/zinc/17/38/98/809173898.db2.gz CBKPAMSFEIPCRX-UTUOFQBUSA-N 1 2 266.341 0.862 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001262947576 809423696 /nfs/dbraw/zinc/42/36/96/809423696.db2.gz OLYOMXWAVNQBSB-KGLIPLIRSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001262947576 809423701 /nfs/dbraw/zinc/42/37/01/809423701.db2.gz OLYOMXWAVNQBSB-KGLIPLIRSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC001263805094 809573840 /nfs/dbraw/zinc/57/38/40/809573840.db2.gz LDGGWQPNAWWMFX-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC001263805094 809573846 /nfs/dbraw/zinc/57/38/46/809573846.db2.gz LDGGWQPNAWWMFX-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263830602 809582146 /nfs/dbraw/zinc/58/21/46/809582146.db2.gz QHBLWOROFRRBAM-VXGBXAGGSA-N 1 2 254.378 0.496 20 30 CCEDLO C[N@H+](CCCNC(=O)c1ccc(C#N)[nH]1)Cc1cnon1 ZINC001264977156 809685046 /nfs/dbraw/zinc/68/50/46/809685046.db2.gz CHGVLKMMQCRUQE-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1ccc(C#N)[nH]1)Cc1cnon1 ZINC001264977156 809685049 /nfs/dbraw/zinc/68/50/49/809685049.db2.gz CHGVLKMMQCRUQE-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)Cc2ccsc2)CC1 ZINC001265255915 809731784 /nfs/dbraw/zinc/73/17/84/809731784.db2.gz GCUUMOUSUPBRBZ-UHFFFAOYSA-N 1 2 291.420 0.658 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001265900712 809889073 /nfs/dbraw/zinc/88/90/73/809889073.db2.gz HRVOORSAKPDVEQ-GXFFZTMASA-N 1 2 296.396 0.556 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076650077 815328138 /nfs/dbraw/zinc/32/81/38/815328138.db2.gz PAEGSGZOXRAIQN-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076650077 815328145 /nfs/dbraw/zinc/32/81/45/815328145.db2.gz PAEGSGZOXRAIQN-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001280402786 810015141 /nfs/dbraw/zinc/01/51/41/810015141.db2.gz MECRIXYMPUVALU-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001280402786 810015146 /nfs/dbraw/zinc/01/51/46/810015146.db2.gz MECRIXYMPUVALU-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001076704053 815350326 /nfs/dbraw/zinc/35/03/26/815350326.db2.gz SRJUFPNFYDXZPB-ZIAGYGMSSA-N 1 2 276.311 0.624 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001076704053 815350333 /nfs/dbraw/zinc/35/03/33/815350333.db2.gz SRJUFPNFYDXZPB-ZIAGYGMSSA-N 1 2 276.311 0.624 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001076715217 815352875 /nfs/dbraw/zinc/35/28/75/815352875.db2.gz MAKKGYCAYPTHKS-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001076715217 815352879 /nfs/dbraw/zinc/35/28/79/815352879.db2.gz MAKKGYCAYPTHKS-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC)C2)nn1 ZINC001098589361 811382082 /nfs/dbraw/zinc/38/20/82/811382082.db2.gz VBMNCKGOFJZCQX-ZDUSSCGKSA-N 1 2 275.356 0.574 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)F)C2)nn1 ZINC001098595592 811460131 /nfs/dbraw/zinc/46/01/31/811460131.db2.gz SRFHQWBHHQUCEB-GFCCVEGCSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001267572644 811463122 /nfs/dbraw/zinc/46/31/22/811463122.db2.gz RVAODCIANSIBMJ-UHFFFAOYSA-N 1 2 299.378 0.209 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2CC=C)C1 ZINC001077133565 815450718 /nfs/dbraw/zinc/45/07/18/815450718.db2.gz SZIGGADTFBPGQH-TZMCWYRMSA-N 1 2 273.336 0.082 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2CC=C)C1 ZINC001077133565 815450721 /nfs/dbraw/zinc/45/07/21/815450721.db2.gz SZIGGADTFBPGQH-TZMCWYRMSA-N 1 2 273.336 0.082 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104649922 811545406 /nfs/dbraw/zinc/54/54/06/811545406.db2.gz MIZOPKJCIIMWBL-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[NH+]1CCN(CCF)CC1 ZINC001267607578 811554090 /nfs/dbraw/zinc/55/40/90/811554090.db2.gz NFLHMHISYYJKCZ-UHFFFAOYSA-N 1 2 283.391 0.691 20 30 CCEDLO C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CO1 ZINC001267609215 811559976 /nfs/dbraw/zinc/55/99/76/811559976.db2.gz SQFKZGKIURKRPP-UONOGXRCSA-N 1 2 294.399 0.011 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001267631483 811589280 /nfs/dbraw/zinc/58/92/80/811589280.db2.gz GHQJBAAHBRBHOB-QWHCGFSZSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001267631483 811589285 /nfs/dbraw/zinc/58/92/85/811589285.db2.gz GHQJBAAHBRBHOB-QWHCGFSZSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001267640030 811602095 /nfs/dbraw/zinc/60/20/95/811602095.db2.gz ZAFVYNYWPKNVIV-LBPRGKRZSA-N 1 2 292.383 0.702 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COc2cccc(OC)c2)C1 ZINC001267659817 811626991 /nfs/dbraw/zinc/62/69/91/811626991.db2.gz FMMNFNFNKBETNN-UHFFFAOYSA-N 1 2 288.347 0.898 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccccc2)C1 ZINC001267673785 811636496 /nfs/dbraw/zinc/63/64/96/811636496.db2.gz NDEUWARCGMCWSW-UHFFFAOYSA-N 1 2 285.347 0.098 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001077224134 815462190 /nfs/dbraw/zinc/46/21/90/815462190.db2.gz ZHWBPPGQFKYXDU-YNEHKIRRSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001077224134 815462192 /nfs/dbraw/zinc/46/21/92/815462192.db2.gz ZHWBPPGQFKYXDU-YNEHKIRRSA-N 1 2 262.353 0.361 20 30 CCEDLO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719448 811684229 /nfs/dbraw/zinc/68/42/29/811684229.db2.gz ZNZMWRJZDKLGOJ-LBPRGKRZSA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719448 811684234 /nfs/dbraw/zinc/68/42/34/811684234.db2.gz ZNZMWRJZDKLGOJ-LBPRGKRZSA-N 1 2 294.380 0.930 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001267810246 811806944 /nfs/dbraw/zinc/80/69/44/811806944.db2.gz ZQERUCHKZQVFAK-VXGBXAGGSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001077323773 815480372 /nfs/dbraw/zinc/48/03/72/815480372.db2.gz CMHFDTKVFZTXBK-CHWSQXEVSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001077323773 815480377 /nfs/dbraw/zinc/48/03/77/815480377.db2.gz CMHFDTKVFZTXBK-CHWSQXEVSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001077339733 815482002 /nfs/dbraw/zinc/48/20/02/815482002.db2.gz XMLJEUFGWVJPNK-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001077339733 815482006 /nfs/dbraw/zinc/48/20/06/815482006.db2.gz XMLJEUFGWVJPNK-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)/C=C(/C)CC)C2)nn1 ZINC001105235433 811869683 /nfs/dbraw/zinc/86/96/83/811869683.db2.gz FOAWXTCCWGKVNW-GHXNOFRVSA-N 1 2 287.367 0.741 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001077341940 815484080 /nfs/dbraw/zinc/48/40/80/815484080.db2.gz PDMKNNZMIIDMRX-HZPDHXFCSA-N 1 2 298.386 0.903 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001077341940 815484085 /nfs/dbraw/zinc/48/40/85/815484085.db2.gz PDMKNNZMIIDMRX-HZPDHXFCSA-N 1 2 298.386 0.903 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C=C)C2)nn1 ZINC001105297139 811896467 /nfs/dbraw/zinc/89/64/67/811896467.db2.gz IFHHPNLLSUCPPK-UHFFFAOYSA-N 1 2 287.367 0.596 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001027855417 812096079 /nfs/dbraw/zinc/09/60/79/812096079.db2.gz QDPDZEJKIURQMF-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001027855417 812096088 /nfs/dbraw/zinc/09/60/88/812096088.db2.gz QDPDZEJKIURQMF-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccco3)C2)nn1 ZINC001105345458 812105729 /nfs/dbraw/zinc/10/57/29/812105729.db2.gz BAIXPERJILTNMT-UHFFFAOYSA-N 1 2 299.334 0.220 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](O)C1 ZINC001083588916 815511249 /nfs/dbraw/zinc/51/12/49/815511249.db2.gz JAPTVJKBJDEPRE-OLZOCXBDSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](O)C1 ZINC001083588916 815511252 /nfs/dbraw/zinc/51/12/52/815511252.db2.gz JAPTVJKBJDEPRE-OLZOCXBDSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001038916784 812340211 /nfs/dbraw/zinc/34/02/11/812340211.db2.gz IODLHKFUPHWDNR-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001038916784 812340218 /nfs/dbraw/zinc/34/02/18/812340218.db2.gz IODLHKFUPHWDNR-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001038916784 812340229 /nfs/dbraw/zinc/34/02/29/812340229.db2.gz IODLHKFUPHWDNR-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001038916784 812340237 /nfs/dbraw/zinc/34/02/37/812340237.db2.gz IODLHKFUPHWDNR-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cscn1 ZINC001268233991 812394979 /nfs/dbraw/zinc/39/49/79/812394979.db2.gz ZABIRXUJAUXXRY-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cscn1 ZINC001268233991 812394993 /nfs/dbraw/zinc/39/49/93/812394993.db2.gz ZABIRXUJAUXXRY-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C#CC(C)(C)C ZINC001268237706 812401395 /nfs/dbraw/zinc/40/13/95/812401395.db2.gz OMQXMJAPOGMPDX-UHFFFAOYSA-N 1 2 292.383 0.066 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C#CC(C)(C)C ZINC001268237706 812401397 /nfs/dbraw/zinc/40/13/97/812401397.db2.gz OMQXMJAPOGMPDX-UHFFFAOYSA-N 1 2 292.383 0.066 20 30 CCEDLO CC[C@H](C)[C@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268251987 812417810 /nfs/dbraw/zinc/41/78/10/812417810.db2.gz LXYLVXWBSWLNEQ-STQMWFEESA-N 1 2 296.415 0.699 20 30 CCEDLO CC[C@H](C)[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268251987 812417813 /nfs/dbraw/zinc/41/78/13/812417813.db2.gz LXYLVXWBSWLNEQ-STQMWFEESA-N 1 2 296.415 0.699 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](O)C1 ZINC001083603596 815531037 /nfs/dbraw/zinc/53/10/37/815531037.db2.gz GFCJLNLKKMQZPE-KGLIPLIRSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](O)C1 ZINC001083603596 815531040 /nfs/dbraw/zinc/53/10/40/815531040.db2.gz GFCJLNLKKMQZPE-KGLIPLIRSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001126338524 812447233 /nfs/dbraw/zinc/44/72/33/812447233.db2.gz CVERXCPBADVXSC-UHFFFAOYSA-N 1 2 264.329 0.641 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC001038992095 812535358 /nfs/dbraw/zinc/53/53/58/812535358.db2.gz NZEDHELEVMVUQM-IUODEOHRSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC001038992095 812535364 /nfs/dbraw/zinc/53/53/64/812535364.db2.gz NZEDHELEVMVUQM-IUODEOHRSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001127027782 815565241 /nfs/dbraw/zinc/56/52/41/815565241.db2.gz ZHUJJRBSKVKIAS-UHFFFAOYSA-N 1 2 265.313 0.229 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)o1 ZINC001268639470 812961280 /nfs/dbraw/zinc/96/12/80/812961280.db2.gz JKMGEHGWRUXYDM-JGVFFNPUSA-N 1 2 251.290 0.132 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[N@H+](C)Cc1snnc1C ZINC001268722622 813037391 /nfs/dbraw/zinc/03/73/91/813037391.db2.gz AGFAQXLHGFKOEO-SNVBAGLBSA-N 1 2 298.412 0.986 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[N@@H+](C)Cc1snnc1C ZINC001268722622 813037400 /nfs/dbraw/zinc/03/74/00/813037400.db2.gz AGFAQXLHGFKOEO-SNVBAGLBSA-N 1 2 298.412 0.986 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001268947318 813160800 /nfs/dbraw/zinc/16/08/00/813160800.db2.gz KQZALRJMMOYZDE-STQMWFEESA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001268947318 813160804 /nfs/dbraw/zinc/16/08/04/813160804.db2.gz KQZALRJMMOYZDE-STQMWFEESA-N 1 2 293.411 0.962 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CNC(C)=O ZINC001268973836 813165880 /nfs/dbraw/zinc/16/58/80/813165880.db2.gz FUAGGHXAPDAJRE-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CNC(C)=O ZINC001268973836 813165885 /nfs/dbraw/zinc/16/58/85/813165885.db2.gz FUAGGHXAPDAJRE-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001127046596 815602044 /nfs/dbraw/zinc/60/20/44/815602044.db2.gz SWIGQDLSJGZDTH-NSHDSACASA-N 1 2 294.355 0.437 20 30 CCEDLO CC[C@H](C)OCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269223420 813277122 /nfs/dbraw/zinc/27/71/22/813277122.db2.gz NYCZUBGHSLVSPC-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO CC[C@H](C)OCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269223420 813277127 /nfs/dbraw/zinc/27/71/27/813277127.db2.gz NYCZUBGHSLVSPC-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1nccn1C ZINC001269256005 813294093 /nfs/dbraw/zinc/29/40/93/813294093.db2.gz VFNIXBJGHQKBMU-ZDUSSCGKSA-N 1 2 290.367 0.151 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCc1nccn1C ZINC001269256005 813294098 /nfs/dbraw/zinc/29/40/98/813294098.db2.gz VFNIXBJGHQKBMU-ZDUSSCGKSA-N 1 2 290.367 0.151 20 30 CCEDLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCN(CC#N)C1 ZINC001269290844 813309834 /nfs/dbraw/zinc/30/98/34/813309834.db2.gz BVRJPDWXNVSHLL-CYBMUJFWSA-N 1 2 275.356 0.409 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(C)no1 ZINC001269377379 813347242 /nfs/dbraw/zinc/34/72/42/813347242.db2.gz FCYJZQFPBXRAJW-PSASIEDQSA-N 1 2 265.317 0.522 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001269844213 813528154 /nfs/dbraw/zinc/52/81/54/813528154.db2.gz XKUORFOOASEGGJ-CYBMUJFWSA-N 1 2 282.384 0.493 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001270507590 813789351 /nfs/dbraw/zinc/78/93/51/813789351.db2.gz LQEQZUZLTORFMM-LLVKDONJSA-N 1 2 286.335 0.591 20 30 CCEDLO Cn1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C#CC3CC3)C2)n1 ZINC001270581877 813825260 /nfs/dbraw/zinc/82/52/60/813825260.db2.gz BBNXKLCUZKULFA-INIZCTEOSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)C#CC3CC3)C2)n1 ZINC001270581877 813825270 /nfs/dbraw/zinc/82/52/70/813825270.db2.gz BBNXKLCUZKULFA-INIZCTEOSA-N 1 2 286.379 0.914 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001083404998 813854447 /nfs/dbraw/zinc/85/44/47/813854447.db2.gz QGYNTNJOMWDNLS-OLZOCXBDSA-N 1 2 280.343 0.969 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001083404998 813854457 /nfs/dbraw/zinc/85/44/57/813854457.db2.gz QGYNTNJOMWDNLS-OLZOCXBDSA-N 1 2 280.343 0.969 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001270716431 813903626 /nfs/dbraw/zinc/90/36/26/813903626.db2.gz GTVKBDZKQLPKDR-QWHCGFSZSA-N 1 2 266.341 0.163 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001270716431 813903631 /nfs/dbraw/zinc/90/36/31/813903631.db2.gz GTVKBDZKQLPKDR-QWHCGFSZSA-N 1 2 266.341 0.163 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038440153 814048652 /nfs/dbraw/zinc/04/86/52/814048652.db2.gz CGLYFRMRUXERSS-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038440153 814048656 /nfs/dbraw/zinc/04/86/56/814048656.db2.gz CGLYFRMRUXERSS-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211879712 814221600 /nfs/dbraw/zinc/22/16/00/814221600.db2.gz BMNMCJVUXIPFLT-BFHYXJOUSA-N 1 2 282.384 0.498 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211879712 814221602 /nfs/dbraw/zinc/22/16/02/814221602.db2.gz BMNMCJVUXIPFLT-BFHYXJOUSA-N 1 2 282.384 0.498 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001038103427 814244317 /nfs/dbraw/zinc/24/43/17/814244317.db2.gz LGPUTUIUYZVNRP-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001038103427 814244324 /nfs/dbraw/zinc/24/43/24/814244324.db2.gz LGPUTUIUYZVNRP-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000673 814307571 /nfs/dbraw/zinc/30/75/71/814307571.db2.gz VOYJPBHYCZUDAT-XJFOESAGSA-N 1 2 299.378 0.817 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000673 814307576 /nfs/dbraw/zinc/30/75/76/814307576.db2.gz VOYJPBHYCZUDAT-XJFOESAGSA-N 1 2 299.378 0.817 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001271351403 814388931 /nfs/dbraw/zinc/38/89/31/814388931.db2.gz XGLYJOVYWAFGEI-TZMCWYRMSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001271361175 814391880 /nfs/dbraw/zinc/39/18/80/814391880.db2.gz KXWHDQAVHCFSGU-UHFFFAOYSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001127052079 815605150 /nfs/dbraw/zinc/60/51/50/815605150.db2.gz QRVZACZLSYYEKP-VHSXEESVSA-N 1 2 280.328 0.183 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001127052506 815606314 /nfs/dbraw/zinc/60/63/14/815606314.db2.gz ZAWMFAGEDXFFES-MNOVXSKESA-N 1 2 294.355 0.437 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001271862493 814614125 /nfs/dbraw/zinc/61/41/25/814614125.db2.gz XXNZGZFYMJFICR-STQMWFEESA-N 1 2 289.383 0.699 20 30 CCEDLO CC(C)[C@H](CNC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001271942765 814639134 /nfs/dbraw/zinc/63/91/34/814639134.db2.gz WFXJKFZEUYUXDH-ZDUSSCGKSA-N 1 2 277.372 0.917 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC001088532125 814854781 /nfs/dbraw/zinc/85/47/81/814854781.db2.gz BDBLJXNICVTVAJ-ZJUUUORDSA-N 1 2 299.762 0.315 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC001088532125 814854787 /nfs/dbraw/zinc/85/47/87/814854787.db2.gz BDBLJXNICVTVAJ-ZJUUUORDSA-N 1 2 299.762 0.315 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105797109 815834157 /nfs/dbraw/zinc/83/41/57/815834157.db2.gz VNCIWCPSZWSOCM-LBPRGKRZSA-N 1 2 276.340 0.478 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001030382723 816004600 /nfs/dbraw/zinc/00/46/00/816004600.db2.gz QRYAUWHXFWXFJT-UHFFFAOYSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001030404964 816018019 /nfs/dbraw/zinc/01/80/19/816018019.db2.gz FPNAYLUPDCHRBZ-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001030425819 816031480 /nfs/dbraw/zinc/03/14/80/816031480.db2.gz QTEKALWNAHYGKK-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nnn2CC)C1 ZINC001030432996 816037482 /nfs/dbraw/zinc/03/74/82/816037482.db2.gz ULMWXAKKWYDYQO-UHFFFAOYSA-N 1 2 261.329 0.044 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001030447968 816043118 /nfs/dbraw/zinc/04/31/18/816043118.db2.gz VRKHULCTRAPHFM-UHFFFAOYSA-N 1 2 286.257 0.866 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001232673461 816194083 /nfs/dbraw/zinc/19/40/83/816194083.db2.gz HAJWSJWYWDPTRN-SMDDNHRTSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001232673461 816194086 /nfs/dbraw/zinc/19/40/86/816194086.db2.gz HAJWSJWYWDPTRN-SMDDNHRTSA-N 1 2 262.309 0.439 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001077486833 816248669 /nfs/dbraw/zinc/24/86/69/816248669.db2.gz SQRQCTRDWBKLMA-ZIAGYGMSSA-N 1 2 290.367 0.160 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001077486833 816248674 /nfs/dbraw/zinc/24/86/74/816248674.db2.gz SQRQCTRDWBKLMA-ZIAGYGMSSA-N 1 2 290.367 0.160 20 30 CCEDLO C#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001030753557 816265172 /nfs/dbraw/zinc/26/51/72/816265172.db2.gz PZQJOBDPPOWOQV-UHFFFAOYSA-N 1 2 280.331 0.920 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001077499537 816301720 /nfs/dbraw/zinc/30/17/20/816301720.db2.gz KPVDWVZXAPQVMK-GHMZBOCLSA-N 1 2 282.365 0.718 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001077499537 816301728 /nfs/dbraw/zinc/30/17/28/816301728.db2.gz KPVDWVZXAPQVMK-GHMZBOCLSA-N 1 2 282.365 0.718 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCSC)C2)OCC1=O ZINC001272460426 816446683 /nfs/dbraw/zinc/44/66/83/816446683.db2.gz ZPUOSKKRKMBYPZ-UHFFFAOYSA-N 1 2 270.398 0.839 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H](CC)OC)C2)c1 ZINC001030928372 816448034 /nfs/dbraw/zinc/44/80/34/816448034.db2.gz PKDOCUKHQLKOFJ-OAHLLOKOSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001031039622 816596752 /nfs/dbraw/zinc/59/67/52/816596752.db2.gz MNQFZBUVTXBBQP-UHFFFAOYSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001031039131 816596917 /nfs/dbraw/zinc/59/69/17/816596917.db2.gz XZMCFHJPLWAYQN-VXGBXAGGSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001083717737 816628111 /nfs/dbraw/zinc/62/81/11/816628111.db2.gz LKISGIBBPXYUQH-CABCVRRESA-N 1 2 289.379 0.786 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001083717737 816628114 /nfs/dbraw/zinc/62/81/14/816628114.db2.gz LKISGIBBPXYUQH-CABCVRRESA-N 1 2 289.379 0.786 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001127327450 816746841 /nfs/dbraw/zinc/74/68/41/816746841.db2.gz MEJXNNFYJUFBDZ-GFCCVEGCSA-N 1 2 290.367 0.185 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2ccccc2)[C@@H](CO)C1 ZINC000699519648 816755746 /nfs/dbraw/zinc/75/57/46/816755746.db2.gz NXLGKXYJHLKKLX-CQSZACIVSA-N 1 2 258.321 0.173 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2ccccc2)[C@@H](CO)C1 ZINC000699519648 816755754 /nfs/dbraw/zinc/75/57/54/816755754.db2.gz NXLGKXYJHLKKLX-CQSZACIVSA-N 1 2 258.321 0.173 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001031191812 816772146 /nfs/dbraw/zinc/77/21/46/816772146.db2.gz CEWCHZGQPYYGGZ-UHFFFAOYSA-N 1 2 258.325 0.724 20 30 CCEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106597910 816818865 /nfs/dbraw/zinc/81/88/65/816818865.db2.gz BKQFHUFMYZHEIH-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)OC)C2)nc1 ZINC001031278602 816923172 /nfs/dbraw/zinc/92/31/72/816923172.db2.gz SBNPWZDPTAJYSH-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)NCCC#N)C2)n1 ZINC000916742099 816988097 /nfs/dbraw/zinc/98/80/97/816988097.db2.gz SQNYDSCSMYVSSQ-ZDUSSCGKSA-N 1 2 287.367 0.994 20 30 CCEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)n1 ZINC000916742099 816988101 /nfs/dbraw/zinc/98/81/01/816988101.db2.gz SQNYDSCSMYVSSQ-ZDUSSCGKSA-N 1 2 287.367 0.994 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001083754947 817007440 /nfs/dbraw/zinc/00/74/40/817007440.db2.gz RSQPFWWIGNUFNF-ZJUUUORDSA-N 1 2 270.716 0.894 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001083754947 817007446 /nfs/dbraw/zinc/00/74/46/817007446.db2.gz RSQPFWWIGNUFNF-ZJUUUORDSA-N 1 2 270.716 0.894 20 30 CCEDLO N#Cc1ccc(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001031476648 817071897 /nfs/dbraw/zinc/07/18/97/817071897.db2.gz ZSZGFZTXDHLMLH-UHFFFAOYSA-N 1 2 295.346 0.755 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001031478875 817073790 /nfs/dbraw/zinc/07/37/90/817073790.db2.gz YUSIYGGQZOWPKA-AWEZNQCLSA-N 1 2 270.332 0.986 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001031495655 817085443 /nfs/dbraw/zinc/08/54/43/817085443.db2.gz OQWIBSVOMBLLPL-UHFFFAOYSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001077552358 817146121 /nfs/dbraw/zinc/14/61/21/817146121.db2.gz RUWJQUVPADWGKO-RRFJBIMHSA-N 1 2 299.374 0.296 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001077552358 817146127 /nfs/dbraw/zinc/14/61/27/817146127.db2.gz RUWJQUVPADWGKO-RRFJBIMHSA-N 1 2 299.374 0.296 20 30 CCEDLO Cn1cncc1C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603038 817176630 /nfs/dbraw/zinc/17/66/30/817176630.db2.gz DUIQYBNKNMLMHF-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031621663 817191831 /nfs/dbraw/zinc/19/18/31/817191831.db2.gz LXRHXAMGTLTFCQ-GFCCVEGCSA-N 1 2 287.791 0.118 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001031848883 817413709 /nfs/dbraw/zinc/41/37/09/817413709.db2.gz SCDJFHWVOXVWEX-UHFFFAOYSA-N 1 2 290.319 0.333 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001124890534 817618578 /nfs/dbraw/zinc/61/85/78/817618578.db2.gz YUSVYTVFNKLQJD-VIFPVBQESA-N 1 2 289.295 0.695 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001124897358 817620763 /nfs/dbraw/zinc/62/07/63/817620763.db2.gz TUTBVJILTVGCFS-MRVPVSSYSA-N 1 2 269.736 0.439 20 30 CCEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)[C@@H](C)C#N)cs1 ZINC001124909158 817633471 /nfs/dbraw/zinc/63/34/71/817633471.db2.gz YWHHMQMKHXVSLE-QMMMGPOBSA-N 1 2 295.368 0.467 20 30 CCEDLO C#CCOc1ncccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032137353 817661995 /nfs/dbraw/zinc/66/19/95/817661995.db2.gz ZACFHSHYCYPIRQ-UHFFFAOYSA-N 1 2 291.326 0.725 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)OC)nn2)C1 ZINC001107139631 817789957 /nfs/dbraw/zinc/78/99/57/817789957.db2.gz RSULTRLBDDTNQK-ZDUSSCGKSA-N 1 2 293.371 0.362 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C=C3CCC3)nn2)C1 ZINC001107158864 817797299 /nfs/dbraw/zinc/79/72/99/817797299.db2.gz CNGHZIPYUJVIJN-UHFFFAOYSA-N 1 2 299.378 0.885 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)CC)nn2)C1 ZINC001107194413 817806064 /nfs/dbraw/zinc/80/60/64/817806064.db2.gz UBCLRUZWGMKSJO-ZDUSSCGKSA-N 1 2 293.346 0.522 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001032322235 817862355 /nfs/dbraw/zinc/86/23/55/817862355.db2.gz NUESKGYQYPUMED-UWVGGRQHSA-N 1 2 259.313 0.144 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001032322235 817862361 /nfs/dbraw/zinc/86/23/61/817862361.db2.gz NUESKGYQYPUMED-UWVGGRQHSA-N 1 2 259.313 0.144 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC)C1 ZINC001107710053 817955537 /nfs/dbraw/zinc/95/55/37/817955537.db2.gz OXKUMESULWGZJQ-CQSZACIVSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COCC)C1 ZINC001107710053 817955541 /nfs/dbraw/zinc/95/55/41/817955541.db2.gz OXKUMESULWGZJQ-CQSZACIVSA-N 1 2 268.357 0.253 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107728382 817969987 /nfs/dbraw/zinc/96/99/87/817969987.db2.gz ZNOGRBUVPYIWLG-HNNXBMFYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107728382 817969991 /nfs/dbraw/zinc/96/99/91/817969991.db2.gz ZNOGRBUVPYIWLG-HNNXBMFYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766353 817993520 /nfs/dbraw/zinc/99/35/20/817993520.db2.gz QPENQVNIQOUFBX-ZFWWWQNUSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766353 817993525 /nfs/dbraw/zinc/99/35/25/817993525.db2.gz QPENQVNIQOUFBX-ZFWWWQNUSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107777195 817998528 /nfs/dbraw/zinc/99/85/28/817998528.db2.gz IVPRSONPLMRAPD-WCQYABFASA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107777195 817998534 /nfs/dbraw/zinc/99/85/34/817998534.db2.gz IVPRSONPLMRAPD-WCQYABFASA-N 1 2 256.346 0.414 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001077694634 818015501 /nfs/dbraw/zinc/01/55/01/818015501.db2.gz YUNWTCKQIGHQKH-HZPDHXFCSA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001077694634 818015511 /nfs/dbraw/zinc/01/55/11/818015511.db2.gz YUNWTCKQIGHQKH-HZPDHXFCSA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)[C@@H](O)C1 ZINC001083812233 818098665 /nfs/dbraw/zinc/09/86/65/818098665.db2.gz RKAXOVMIUPZGSF-BBWFWOEESA-N 1 2 298.386 0.586 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)[C@@H](O)C1 ZINC001083812233 818098672 /nfs/dbraw/zinc/09/86/72/818098672.db2.gz RKAXOVMIUPZGSF-BBWFWOEESA-N 1 2 298.386 0.586 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001089976950 818106507 /nfs/dbraw/zinc/10/65/07/818106507.db2.gz RSTVXHAEFZVGKQ-CABCVRRESA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001089976950 818106516 /nfs/dbraw/zinc/10/65/16/818106516.db2.gz RSTVXHAEFZVGKQ-CABCVRRESA-N 1 2 291.326 0.769 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)CSCC#N)c2C1 ZINC001128218349 818120648 /nfs/dbraw/zinc/12/06/48/818120648.db2.gz UGOMILKFDDYZOF-UHFFFAOYSA-N 1 2 293.396 0.592 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)CSCC#N)c2C1 ZINC001128218349 818120654 /nfs/dbraw/zinc/12/06/54/818120654.db2.gz UGOMILKFDDYZOF-UHFFFAOYSA-N 1 2 293.396 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983853 818169994 /nfs/dbraw/zinc/16/99/94/818169994.db2.gz OYMMVLSNQYNPKO-YUMQZZPRSA-N 1 2 268.691 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983853 818169997 /nfs/dbraw/zinc/16/99/97/818169997.db2.gz OYMMVLSNQYNPKO-YUMQZZPRSA-N 1 2 268.691 0.555 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052623 818177326 /nfs/dbraw/zinc/17/73/26/818177326.db2.gz HEZWHWRAESFMES-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052623 818177331 /nfs/dbraw/zinc/17/73/31/818177331.db2.gz HEZWHWRAESFMES-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089990739 818213987 /nfs/dbraw/zinc/21/39/87/818213987.db2.gz SIABYMSYMWDPJT-WDEREUQCSA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089990739 818213994 /nfs/dbraw/zinc/21/39/94/818213994.db2.gz SIABYMSYMWDPJT-WDEREUQCSA-N 1 2 258.749 0.700 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128347538 818199488 /nfs/dbraw/zinc/19/94/88/818199488.db2.gz XRFOANQQCKLOOX-UHFFFAOYSA-N 1 2 274.368 0.994 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128347538 818199496 /nfs/dbraw/zinc/19/94/96/818199496.db2.gz XRFOANQQCKLOOX-UHFFFAOYSA-N 1 2 274.368 0.994 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nonc1C ZINC001128405095 818221214 /nfs/dbraw/zinc/22/12/14/818221214.db2.gz NWMSBYVYZQYUMJ-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032928036 818361846 /nfs/dbraw/zinc/36/18/46/818361846.db2.gz CUXYEZYERHBFTB-NEPJUHHUSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032928036 818361850 /nfs/dbraw/zinc/36/18/50/818361850.db2.gz CUXYEZYERHBFTB-NEPJUHHUSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032928040 818361897 /nfs/dbraw/zinc/36/18/97/818361897.db2.gz CUXYEZYERHBFTB-RYUDHWBXSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032928040 818361903 /nfs/dbraw/zinc/36/19/03/818361903.db2.gz CUXYEZYERHBFTB-RYUDHWBXSA-N 1 2 288.775 0.687 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001033087596 818505835 /nfs/dbraw/zinc/50/58/35/818505835.db2.gz XTDDZEYSWBCEDS-ZIAGYGMSSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001033087596 818505840 /nfs/dbraw/zinc/50/58/40/818505840.db2.gz XTDDZEYSWBCEDS-ZIAGYGMSSA-N 1 2 286.379 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](O)C1 ZINC001083838851 818542683 /nfs/dbraw/zinc/54/26/83/818542683.db2.gz QPQDQUVBHCWEGN-YPMHNXCESA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](O)C1 ZINC001083838851 818542691 /nfs/dbraw/zinc/54/26/91/818542691.db2.gz QPQDQUVBHCWEGN-YPMHNXCESA-N 1 2 289.335 0.350 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033322398 818708245 /nfs/dbraw/zinc/70/82/45/818708245.db2.gz UKNHKIPRTQIJGG-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033322398 818708254 /nfs/dbraw/zinc/70/82/54/818708254.db2.gz UKNHKIPRTQIJGG-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563139 818832247 /nfs/dbraw/zinc/83/22/47/818832247.db2.gz TUCULIZSDNLHQS-JTQLQIEISA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563139 818832251 /nfs/dbraw/zinc/83/22/51/818832251.db2.gz TUCULIZSDNLHQS-JTQLQIEISA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563140 818832594 /nfs/dbraw/zinc/83/25/94/818832594.db2.gz TUCULIZSDNLHQS-SNVBAGLBSA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563140 818832600 /nfs/dbraw/zinc/83/26/00/818832600.db2.gz TUCULIZSDNLHQS-SNVBAGLBSA-N 1 2 283.763 0.632 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033921525 818995734 /nfs/dbraw/zinc/99/57/34/818995734.db2.gz BNAVDEPUSJGPQU-HNNXBMFYSA-N 1 2 299.374 0.690 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033921525 818995738 /nfs/dbraw/zinc/99/57/38/818995738.db2.gz BNAVDEPUSJGPQU-HNNXBMFYSA-N 1 2 299.374 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136026 819279611 /nfs/dbraw/zinc/27/96/11/819279611.db2.gz NJQLWVHECYACEN-WFASDCNBSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136026 819279621 /nfs/dbraw/zinc/27/96/21/819279621.db2.gz NJQLWVHECYACEN-WFASDCNBSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(C)no2)CCC1 ZINC001129121530 819420248 /nfs/dbraw/zinc/42/02/48/819420248.db2.gz YYNMGOZZQUWHTF-UHFFFAOYSA-N 1 2 276.340 0.777 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035291483 819438101 /nfs/dbraw/zinc/43/81/01/819438101.db2.gz XDJPWTFVYNUSII-VXGBXAGGSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035291483 819438105 /nfs/dbraw/zinc/43/81/05/819438105.db2.gz XDJPWTFVYNUSII-VXGBXAGGSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035294250 819440853 /nfs/dbraw/zinc/44/08/53/819440853.db2.gz JBIOBJLUSMKCQA-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035294250 819440857 /nfs/dbraw/zinc/44/08/57/819440857.db2.gz JBIOBJLUSMKCQA-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035299341 819450972 /nfs/dbraw/zinc/45/09/72/819450972.db2.gz BPSTYFPLPURFBT-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035299341 819450978 /nfs/dbraw/zinc/45/09/78/819450978.db2.gz BPSTYFPLPURFBT-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035298951 819451600 /nfs/dbraw/zinc/45/16/00/819451600.db2.gz LVMSONSKCDXZBT-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035298951 819451604 /nfs/dbraw/zinc/45/16/04/819451604.db2.gz LVMSONSKCDXZBT-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccon2)C1 ZINC001035307940 819453867 /nfs/dbraw/zinc/45/38/67/819453867.db2.gz AEOOTJZTMJVIPW-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccon2)C1 ZINC001035307940 819453870 /nfs/dbraw/zinc/45/38/70/819453870.db2.gz AEOOTJZTMJVIPW-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001035305803 819456909 /nfs/dbraw/zinc/45/69/09/819456909.db2.gz MGDPBTUFSFOFPB-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001035305803 819456912 /nfs/dbraw/zinc/45/69/12/819456912.db2.gz MGDPBTUFSFOFPB-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035307101 819458681 /nfs/dbraw/zinc/45/86/81/819458681.db2.gz UEHOFOOIZLNLDO-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035307101 819458686 /nfs/dbraw/zinc/45/86/86/819458686.db2.gz UEHOFOOIZLNLDO-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2CC)C1 ZINC001035318165 819467432 /nfs/dbraw/zinc/46/74/32/819467432.db2.gz FRSAYDRWFBIMLP-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2CC)C1 ZINC001035318165 819467435 /nfs/dbraw/zinc/46/74/35/819467435.db2.gz FRSAYDRWFBIMLP-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330782 819475363 /nfs/dbraw/zinc/47/53/63/819475363.db2.gz CDHZSACYYQOAHV-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330782 819475366 /nfs/dbraw/zinc/47/53/66/819475366.db2.gz CDHZSACYYQOAHV-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035367929 819491611 /nfs/dbraw/zinc/49/16/11/819491611.db2.gz ZAJMYIWISIYGPI-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035367929 819491619 /nfs/dbraw/zinc/49/16/19/819491619.db2.gz ZAJMYIWISIYGPI-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035356565 819496759 /nfs/dbraw/zinc/49/67/59/819496759.db2.gz VYNLSFWILNKTTB-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035356565 819496763 /nfs/dbraw/zinc/49/67/63/819496763.db2.gz VYNLSFWILNKTTB-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431091 819522129 /nfs/dbraw/zinc/52/21/29/819522129.db2.gz FQNKUUJOIZCCJG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431091 819522132 /nfs/dbraw/zinc/52/21/32/819522132.db2.gz FQNKUUJOIZCCJG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501970 819540403 /nfs/dbraw/zinc/54/04/03/819540403.db2.gz ZTMDPCJOCHATEI-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501970 819540410 /nfs/dbraw/zinc/54/04/10/819540410.db2.gz ZTMDPCJOCHATEI-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001035494180 819547817 /nfs/dbraw/zinc/54/78/17/819547817.db2.gz WBGDGGGFTCMUPF-AWEZNQCLSA-N 1 2 282.384 0.542 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001035494180 819547820 /nfs/dbraw/zinc/54/78/20/819547820.db2.gz WBGDGGGFTCMUPF-AWEZNQCLSA-N 1 2 282.384 0.542 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2conc2C)C1 ZINC001035493499 819548410 /nfs/dbraw/zinc/54/84/10/819548410.db2.gz KKQPMOPSUWHDIB-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2conc2C)C1 ZINC001035493499 819548415 /nfs/dbraw/zinc/54/84/15/819548415.db2.gz KKQPMOPSUWHDIB-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nocc2C)C1 ZINC001035573895 819562404 /nfs/dbraw/zinc/56/24/04/819562404.db2.gz PBVACXJOUAYQNY-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nocc2C)C1 ZINC001035573895 819562407 /nfs/dbraw/zinc/56/24/07/819562407.db2.gz PBVACXJOUAYQNY-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001035548709 819563051 /nfs/dbraw/zinc/56/30/51/819563051.db2.gz YOFKHRLKLWFBGD-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001035548709 819563059 /nfs/dbraw/zinc/56/30/59/819563059.db2.gz YOFKHRLKLWFBGD-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccnn2)C1 ZINC001035554612 819569135 /nfs/dbraw/zinc/56/91/35/819569135.db2.gz XKPABDPETLAPFP-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccnn2)C1 ZINC001035554612 819569138 /nfs/dbraw/zinc/56/91/38/819569138.db2.gz XKPABDPETLAPFP-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@@H](O)C1 ZINC001083896633 820204708 /nfs/dbraw/zinc/20/47/08/820204708.db2.gz KCOUKYFKRARLFM-CABCVRRESA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@@H](O)C1 ZINC001083896633 820204715 /nfs/dbraw/zinc/20/47/15/820204715.db2.gz KCOUKYFKRARLFM-CABCVRRESA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](O)C1 ZINC001083905930 820213356 /nfs/dbraw/zinc/21/33/56/820213356.db2.gz UMNWWUWRCVOVHB-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](O)C1 ZINC001083905930 820213360 /nfs/dbraw/zinc/21/33/60/820213360.db2.gz UMNWWUWRCVOVHB-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001080433694 820576236 /nfs/dbraw/zinc/57/62/36/820576236.db2.gz NBGHEPJTHSSHOJ-GLXFQSAKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001080433694 820576243 /nfs/dbraw/zinc/57/62/43/820576243.db2.gz NBGHEPJTHSSHOJ-GLXFQSAKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081576083 820792617 /nfs/dbraw/zinc/79/26/17/820792617.db2.gz JJVUDSZTIRUYDP-DGCLKSJQSA-N 1 2 291.351 0.792 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081576083 820792623 /nfs/dbraw/zinc/79/26/23/820792623.db2.gz JJVUDSZTIRUYDP-DGCLKSJQSA-N 1 2 291.351 0.792 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@H](OC)C1 ZINC001081588930 820794452 /nfs/dbraw/zinc/79/44/52/820794452.db2.gz SQDPJXXCJVRSJM-GHMZBOCLSA-N 1 2 282.727 0.995 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@H](OC)C1 ZINC001081588930 820794458 /nfs/dbraw/zinc/79/44/58/820794458.db2.gz SQDPJXXCJVRSJM-GHMZBOCLSA-N 1 2 282.727 0.995 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H](OC)C1 ZINC001081726151 820823773 /nfs/dbraw/zinc/82/37/73/820823773.db2.gz QIOUBADWBKHDDP-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H](OC)C1 ZINC001081726151 820823782 /nfs/dbraw/zinc/82/37/82/820823782.db2.gz QIOUBADWBKHDDP-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@H](OC)C1 ZINC001081806556 820840696 /nfs/dbraw/zinc/84/06/96/820840696.db2.gz RKXCUIAWNRBTPL-DGCLKSJQSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@H](OC)C1 ZINC001081806556 820840705 /nfs/dbraw/zinc/84/07/05/820840705.db2.gz RKXCUIAWNRBTPL-DGCLKSJQSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@H](OC)C1 ZINC001081855355 820854740 /nfs/dbraw/zinc/85/47/40/820854740.db2.gz BFPACXXQFDOTDJ-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@H](OC)C1 ZINC001081855355 820854753 /nfs/dbraw/zinc/85/47/53/820854753.db2.gz BFPACXXQFDOTDJ-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001082002265 820876362 /nfs/dbraw/zinc/87/63/62/820876362.db2.gz KSDNOIJIYCJYIM-CHWSQXEVSA-N 1 2 290.367 0.099 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001082002265 820876374 /nfs/dbraw/zinc/87/63/74/820876374.db2.gz KSDNOIJIYCJYIM-CHWSQXEVSA-N 1 2 290.367 0.099 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC001082998446 821093579 /nfs/dbraw/zinc/09/35/79/821093579.db2.gz QDPKORMHOPOPSY-UONOGXRCSA-N 1 2 273.336 0.563 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC001082998446 821093582 /nfs/dbraw/zinc/09/35/82/821093582.db2.gz QDPKORMHOPOPSY-UONOGXRCSA-N 1 2 273.336 0.563 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCC3)[C@H]2C1 ZINC001083118711 821137714 /nfs/dbraw/zinc/13/77/14/821137714.db2.gz OHIFDQNVGRASDD-AEGPPILISA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCC3)[C@H]2C1 ZINC001083118711 821137719 /nfs/dbraw/zinc/13/77/19/821137719.db2.gz OHIFDQNVGRASDD-AEGPPILISA-N 1 2 276.380 0.967 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](O)C1 ZINC001084071233 821192344 /nfs/dbraw/zinc/19/23/44/821192344.db2.gz RVDACTMRGQRMMD-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](O)C1 ZINC001084071233 821192348 /nfs/dbraw/zinc/19/23/48/821192348.db2.gz RVDACTMRGQRMMD-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219615 821245165 /nfs/dbraw/zinc/24/51/65/821245165.db2.gz IPLVGFGBHWPTGD-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001084219615 821245172 /nfs/dbraw/zinc/24/51/72/821245172.db2.gz IPLVGFGBHWPTGD-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cncn3C)C[C@H]21 ZINC001084235720 821249072 /nfs/dbraw/zinc/24/90/72/821249072.db2.gz LNNCVBXXJOGPGD-OUCADQQQSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001084235720 821249078 /nfs/dbraw/zinc/24/90/78/821249078.db2.gz LNNCVBXXJOGPGD-OUCADQQQSA-N 1 2 287.367 0.612 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001084236037 821249326 /nfs/dbraw/zinc/24/93/26/821249326.db2.gz XVDWLVROIGIYBE-TZMCWYRMSA-N 1 2 272.352 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001084236037 821249335 /nfs/dbraw/zinc/24/93/35/821249335.db2.gz XVDWLVROIGIYBE-TZMCWYRMSA-N 1 2 272.352 0.888 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712275806 821435749 /nfs/dbraw/zinc/43/57/49/821435749.db2.gz DAJSSTVOTIAPDN-LBPRGKRZSA-N 1 2 279.365 0.931 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712275806 821435752 /nfs/dbraw/zinc/43/57/52/821435752.db2.gz DAJSSTVOTIAPDN-LBPRGKRZSA-N 1 2 279.365 0.931 20 30 CCEDLO C#CC[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(=O)OC ZINC000820352734 821441530 /nfs/dbraw/zinc/44/15/30/821441530.db2.gz GDXTWUVPIGXXHG-LLVKDONJSA-N 1 2 277.324 0.608 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065692463 821579758 /nfs/dbraw/zinc/57/97/58/821579758.db2.gz ROVOBBYZDWDJFZ-CQSZACIVSA-N 1 2 279.384 0.718 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001098306369 821660727 /nfs/dbraw/zinc/66/07/27/821660727.db2.gz FEFVPFBEDSEDJC-JTQLQIEISA-N 1 2 284.323 0.258 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001085590181 821835419 /nfs/dbraw/zinc/83/54/19/821835419.db2.gz GJYCGRMVAUOURX-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001085590181 821835427 /nfs/dbraw/zinc/83/54/27/821835427.db2.gz GJYCGRMVAUOURX-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2ncnn21 ZINC001085701949 821909722 /nfs/dbraw/zinc/90/97/22/821909722.db2.gz DLFWTMYFNUFYQW-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2ncnn21 ZINC001085701949 821909728 /nfs/dbraw/zinc/90/97/28/821909728.db2.gz DLFWTMYFNUFYQW-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085726594 821920060 /nfs/dbraw/zinc/92/00/60/821920060.db2.gz CACQCJXEUGKLAR-LBPRGKRZSA-N 1 2 298.350 0.143 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085726594 821920063 /nfs/dbraw/zinc/92/00/63/821920063.db2.gz CACQCJXEUGKLAR-LBPRGKRZSA-N 1 2 298.350 0.143 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cnn1C ZINC001085773239 821948418 /nfs/dbraw/zinc/94/84/18/821948418.db2.gz VZWIMRNTKIEOAW-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cnn1C ZINC001085773239 821948423 /nfs/dbraw/zinc/94/84/23/821948423.db2.gz VZWIMRNTKIEOAW-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086004264 822063631 /nfs/dbraw/zinc/06/36/31/822063631.db2.gz AYBMCGXGUIJUFT-ZDUSSCGKSA-N 1 2 289.383 0.776 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086004264 822063639 /nfs/dbraw/zinc/06/36/39/822063639.db2.gz AYBMCGXGUIJUFT-ZDUSSCGKSA-N 1 2 289.383 0.776 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291106 822322970 /nfs/dbraw/zinc/32/29/70/822322970.db2.gz JMWWEHDNQSYAFY-GFCCVEGCSA-N 1 2 266.301 0.076 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291106 822322981 /nfs/dbraw/zinc/32/29/81/822322981.db2.gz JMWWEHDNQSYAFY-GFCCVEGCSA-N 1 2 266.301 0.076 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114047413 837415869 /nfs/dbraw/zinc/41/58/69/837415869.db2.gz FMYPXYPPKGNHHA-PJXYFTJBSA-N 1 2 294.380 0.287 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114047413 837415879 /nfs/dbraw/zinc/41/58/79/837415879.db2.gz FMYPXYPPKGNHHA-PJXYFTJBSA-N 1 2 294.380 0.287 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114051570 837417396 /nfs/dbraw/zinc/41/73/96/837417396.db2.gz XWLDIEVQZRWAKE-JYAVWHMHSA-N 1 2 290.367 0.169 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114051570 837417399 /nfs/dbraw/zinc/41/73/99/837417399.db2.gz XWLDIEVQZRWAKE-JYAVWHMHSA-N 1 2 290.367 0.169 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114194266 837469069 /nfs/dbraw/zinc/46/90/69/837469069.db2.gz NMBLUPCFDHGNTB-MXYBEHONSA-N 1 2 291.351 0.548 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114194266 837469073 /nfs/dbraw/zinc/46/90/73/837469073.db2.gz NMBLUPCFDHGNTB-MXYBEHONSA-N 1 2 291.351 0.548 20 30 CCEDLO N#Cc1c2c(cnc1-n1[nH]c(=O)nc1C[NH3+])CCCC2 ZINC001157940686 837757558 /nfs/dbraw/zinc/75/75/58/837757558.db2.gz VLSSAUKOOOGTSM-UHFFFAOYSA-N 1 2 270.296 0.577 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964481 836088515 /nfs/dbraw/zinc/08/85/15/836088515.db2.gz TZFRQGNHEFLQTL-AEJSXWLSSA-N 1 2 276.358 0.883 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001108485740 836284099 /nfs/dbraw/zinc/28/40/99/836284099.db2.gz JAEYOBAEJHIIDE-JTQLQIEISA-N 1 2 299.338 0.539 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC)CC2=O)C1 ZINC001108496458 836316637 /nfs/dbraw/zinc/31/66/37/836316637.db2.gz KLNOGSKLBRRADG-NSHDSACASA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108530428 836428548 /nfs/dbraw/zinc/42/85/48/836428548.db2.gz JUYNCZPFXJMQHQ-WDEREUQCSA-N 1 2 276.340 0.740 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109091400 836617736 /nfs/dbraw/zinc/61/77/36/836617736.db2.gz QEZHBHORGLLWBH-WOPDTQHZSA-N 1 2 262.353 0.956 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109091400 836617742 /nfs/dbraw/zinc/61/77/42/836617742.db2.gz QEZHBHORGLLWBH-WOPDTQHZSA-N 1 2 262.353 0.956 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115332796 836683211 /nfs/dbraw/zinc/68/32/11/836683211.db2.gz PZKQMVZMCUCVTC-ZZVYKPCYSA-N 1 2 291.351 0.812 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115332796 836683221 /nfs/dbraw/zinc/68/32/21/836683221.db2.gz PZKQMVZMCUCVTC-ZZVYKPCYSA-N 1 2 291.351 0.812 20 30 CCEDLO CN(CCCNc1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001109472521 836689980 /nfs/dbraw/zinc/68/99/80/836689980.db2.gz QZHWGSRJDBKQIQ-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090428428 836731582 /nfs/dbraw/zinc/73/15/82/836731582.db2.gz UTHHBICFJBDXRJ-AAEUAGOBSA-N 1 2 299.334 0.023 20 30 CCEDLO C=C(CC(=O)OCCCC)C(=O)NC1C[NH+](C)C1 ZINC001184312515 844200246 /nfs/dbraw/zinc/20/02/46/844200246.db2.gz SWZKKIKXTWFCPH-UHFFFAOYSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001112654010 836844388 /nfs/dbraw/zinc/84/43/88/836844388.db2.gz HHACJMHLKHDTND-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001112671437 836855803 /nfs/dbraw/zinc/85/58/03/836855803.db2.gz IUHQCSVPAYDFNE-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H](C)OC)CC1 ZINC001112786121 836913394 /nfs/dbraw/zinc/91/33/94/836913394.db2.gz ZDOQJXDROKTQSI-ZDUSSCGKSA-N 1 2 252.358 0.969 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001112920057 836967767 /nfs/dbraw/zinc/96/77/67/836967767.db2.gz XECJILAMVSCSGS-STQMWFEESA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2cc(C)no2)CC1 ZINC001113005238 836997112 /nfs/dbraw/zinc/99/71/12/836997112.db2.gz FGBDRGBGCMGWME-UHFFFAOYSA-N 1 2 279.340 0.830 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154500 837037929 /nfs/dbraw/zinc/03/79/29/837037929.db2.gz FGQYVPVDCCVRLS-MNOVXSKESA-N 1 2 298.350 0.646 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)[C@H]2CCOC2)CC1 ZINC001113161766 837043092 /nfs/dbraw/zinc/04/30/92/837043092.db2.gz JJPYKVAHEDIILP-UONOGXRCSA-N 1 2 282.384 0.758 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113313759 837084634 /nfs/dbraw/zinc/08/46/34/837084634.db2.gz MVELXXJYQFOCFA-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC001113573627 837165655 /nfs/dbraw/zinc/16/56/55/837165655.db2.gz BDVXSUJTROMBDL-UHFFFAOYSA-N 1 2 299.374 0.584 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CO[C@H](C)c2nccn2C)CC1 ZINC001113589729 837171563 /nfs/dbraw/zinc/17/15/63/837171563.db2.gz BHSSEEAFJQSLHF-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC001113630516 837185062 /nfs/dbraw/zinc/18/50/62/837185062.db2.gz GSEADEAZDAPGIQ-UHFFFAOYSA-N 1 2 290.367 0.868 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 ZINC001113734558 837209695 /nfs/dbraw/zinc/20/96/95/837209695.db2.gz PPGLGMSMVKFURL-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001113746007 837211547 /nfs/dbraw/zinc/21/15/47/837211547.db2.gz QEQPNHNVXSPNRV-OAHLLOKOSA-N 1 2 279.384 0.766 20 30 CCEDLO N#CCc1cc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)cc[nH+]1 ZINC001170220929 837260493 /nfs/dbraw/zinc/26/04/93/837260493.db2.gz YYSVDQDQDWXJOR-UHFFFAOYSA-N 1 2 283.251 0.342 20 30 CCEDLO N#C[C@@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)C(N)=O ZINC001170541846 838006812 /nfs/dbraw/zinc/00/68/12/838006812.db2.gz FHTOJYYKPXCXIU-SNVBAGLBSA-N 1 2 259.244 0.801 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COC(C)C)CC1 ZINC001131344804 838058151 /nfs/dbraw/zinc/05/81/51/838058151.db2.gz IREOABJGIONRRD-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COC(C)C)CC1 ZINC001131344804 838058166 /nfs/dbraw/zinc/05/81/66/838058166.db2.gz IREOABJGIONRRD-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCC[N@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001132369493 838374019 /nfs/dbraw/zinc/37/40/19/838374019.db2.gz XZIMTWNIBLAHMR-VXGBXAGGSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001132369493 838374021 /nfs/dbraw/zinc/37/40/21/838374021.db2.gz XZIMTWNIBLAHMR-VXGBXAGGSA-N 1 2 293.371 0.590 20 30 CCEDLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2C[C@@H]2C#N)n1 ZINC001133652034 838685285 /nfs/dbraw/zinc/68/52/85/838685285.db2.gz MJEMFSBJJHOGPP-PSASIEDQSA-N 1 2 264.354 0.981 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001134061696 838848295 /nfs/dbraw/zinc/84/82/95/838848295.db2.gz DOCRKRJICOSBSN-MNOVXSKESA-N 1 2 294.355 0.429 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1CNCC#N ZINC001185502279 844426643 /nfs/dbraw/zinc/42/66/43/844426643.db2.gz LHHJEYAGRPRAHA-STQMWFEESA-N 1 2 289.383 0.560 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 ZINC001185571650 844433192 /nfs/dbraw/zinc/43/31/92/844433192.db2.gz FFLOTHGCGSSYRP-AAEUAGOBSA-N 1 2 289.383 0.858 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)nc1 ZINC001090737003 839763878 /nfs/dbraw/zinc/76/38/78/839763878.db2.gz MKROEUSIQIHUEM-JSGCOSHPSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)nc1 ZINC001090737003 839763881 /nfs/dbraw/zinc/76/38/81/839763881.db2.gz MKROEUSIQIHUEM-JSGCOSHPSA-N 1 2 291.326 0.197 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090810013 839827877 /nfs/dbraw/zinc/82/78/77/839827877.db2.gz WKPXURRUTARKNI-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090810013 839827887 /nfs/dbraw/zinc/82/78/87/839827887.db2.gz WKPXURRUTARKNI-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO N#Cc1ccc2c(c1)N(c1nc(N)[nH+]c(N)n1)CC2 ZINC001186014768 844482169 /nfs/dbraw/zinc/48/21/69/844482169.db2.gz SHCSJNVBJHMQHV-UHFFFAOYSA-N 1 2 253.269 0.602 20 30 CCEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC001186046947 844495534 /nfs/dbraw/zinc/49/55/34/844495534.db2.gz HZAOCEQQWQYHKO-SNVBAGLBSA-N 1 2 275.308 0.572 20 30 CCEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC001186046947 844495541 /nfs/dbraw/zinc/49/55/41/844495541.db2.gz HZAOCEQQWQYHKO-SNVBAGLBSA-N 1 2 275.308 0.572 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186047256 844497184 /nfs/dbraw/zinc/49/71/84/844497184.db2.gz JBLMTIRBLRATIY-NSHDSACASA-N 1 2 275.308 0.572 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186047256 844497186 /nfs/dbraw/zinc/49/71/86/844497186.db2.gz JBLMTIRBLRATIY-NSHDSACASA-N 1 2 275.308 0.572 20 30 CCEDLO C#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1F ZINC001186050301 844498135 /nfs/dbraw/zinc/49/81/35/844498135.db2.gz RPCHXIPDQXTDLH-LBPRGKRZSA-N 1 2 262.284 0.812 20 30 CCEDLO C#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1F ZINC001186050301 844498138 /nfs/dbraw/zinc/49/81/38/844498138.db2.gz RPCHXIPDQXTDLH-LBPRGKRZSA-N 1 2 262.284 0.812 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001091632989 840594898 /nfs/dbraw/zinc/59/48/98/840594898.db2.gz PNDSPXNLQXJTDZ-DOMZBBRYSA-N 1 2 287.367 0.646 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001098344902 840964678 /nfs/dbraw/zinc/96/46/78/840964678.db2.gz YJIUZVRLIOTPSZ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1nccnc1C#N ZINC001098344902 840964683 /nfs/dbraw/zinc/96/46/83/840964683.db2.gz YJIUZVRLIOTPSZ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO N#CCN1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652770 841051265 /nfs/dbraw/zinc/05/12/65/841051265.db2.gz FXYNKZVLGQPNMM-LBPRGKRZSA-N 1 2 291.355 0.073 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092694207 841056799 /nfs/dbraw/zinc/05/67/99/841056799.db2.gz IJMZTIVERCNTFR-FDYHWXHSSA-N 1 2 287.367 0.721 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001093581828 841348746 /nfs/dbraw/zinc/34/87/46/841348746.db2.gz CNSDZBMWZMJDHM-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccc(C#N)nn1 ZINC001093785429 841457203 /nfs/dbraw/zinc/45/72/03/841457203.db2.gz SZSXLUQBQZJRBY-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ncccc1C#N ZINC001093776739 841467642 /nfs/dbraw/zinc/46/76/42/841467642.db2.gz LULWHYHCDZCCCX-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)CCn1cc[nH+]c1 ZINC001094024751 841513374 /nfs/dbraw/zinc/51/33/74/841513374.db2.gz WMGXMJNNMTVCSH-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094150565 841549590 /nfs/dbraw/zinc/54/95/90/841549590.db2.gz PHERPANBBRAGEB-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ccc(C#N)nc1 ZINC001094504517 841644823 /nfs/dbraw/zinc/64/48/23/841644823.db2.gz VJXDYWQJDBGYJE-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1nccnc1C#N ZINC001094524047 841656663 /nfs/dbraw/zinc/65/66/63/841656663.db2.gz HPPJDURVKCXKGH-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 ZINC001094774981 841720966 /nfs/dbraw/zinc/72/09/66/841720966.db2.gz QJAKUPPUFFEEKH-SCRDCRAPSA-N 1 2 291.395 0.620 20 30 CCEDLO CCOC(=O)C[C@@H]1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001173643458 842128000 /nfs/dbraw/zinc/12/80/00/842128000.db2.gz WSTSXFHRVAEZRD-AGIUHOORSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C#N)N(C)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175076747 842229509 /nfs/dbraw/zinc/22/95/09/842229509.db2.gz FSACWZIUPKUTDC-SNVBAGLBSA-N 1 2 261.329 0.703 20 30 CCEDLO C[C@H](C#N)N(C)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175076747 842229518 /nfs/dbraw/zinc/22/95/18/842229518.db2.gz FSACWZIUPKUTDC-SNVBAGLBSA-N 1 2 261.329 0.703 20 30 CCEDLO C#Cc1cnc(NC(=O)Cc2c[nH]c[nH+]2)c(C#C)n1 ZINC001176827476 842413336 /nfs/dbraw/zinc/41/33/36/842413336.db2.gz KSRQGUSHLOJRGV-UHFFFAOYSA-N 1 2 251.249 0.344 20 30 CCEDLO Cc1ccc(C(=NC(=O)Cc2c[nH]c[nH+]2)NO)nc1 ZINC001176836799 842423181 /nfs/dbraw/zinc/42/31/81/842423181.db2.gz PSGFNFFIXNQTNU-UHFFFAOYSA-N 1 2 259.269 0.608 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900658 842459388 /nfs/dbraw/zinc/45/93/88/842459388.db2.gz OONUJXYXOHQJLJ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900658 842459392 /nfs/dbraw/zinc/45/93/92/842459392.db2.gz OONUJXYXOHQJLJ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176987285 842478373 /nfs/dbraw/zinc/47/83/73/842478373.db2.gz ASYHUUQPHRTUNC-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176987285 842478374 /nfs/dbraw/zinc/47/83/74/842478374.db2.gz ASYHUUQPHRTUNC-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO C=C[C@@H]1C[C@@]1(NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001177998732 842723674 /nfs/dbraw/zinc/72/36/74/842723674.db2.gz ZGFLCPMSEOUQPG-YGRLFVJLSA-N 1 2 277.324 0.966 20 30 CCEDLO CC(C)C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)NO ZINC001178122521 842778148 /nfs/dbraw/zinc/77/81/48/842778148.db2.gz VXYYPSLCTJRKDK-MNOVXSKESA-N 1 2 294.355 0.482 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001178339179 842814654 /nfs/dbraw/zinc/81/46/54/842814654.db2.gz XFLXFJZQCCUDSZ-JQWIXIFHSA-N 1 2 296.396 0.820 20 30 CCEDLO Nc1cc(CC(=O)N/C=C/C(=O)C(F)(F)F)cc[nH+]1 ZINC001181279198 843440458 /nfs/dbraw/zinc/44/04/58/843440458.db2.gz HITJGVIARWDVNT-DUXPYHPUSA-N 1 2 273.214 0.968 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001273571601 844999248 /nfs/dbraw/zinc/99/92/48/844999248.db2.gz KIJMTVIBCHPSRU-UHFFFAOYSA-N 1 2 296.415 0.401 20 30 CCEDLO C#CCN1C(=O)COCC12CN(c1cc[nH+]c(OC)c1)C2 ZINC001273585573 845183767 /nfs/dbraw/zinc/18/37/67/845183767.db2.gz RKRSNNPJBMMNDQ-UHFFFAOYSA-N 1 2 287.319 0.141 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001190983515 845558752 /nfs/dbraw/zinc/55/87/52/845558752.db2.gz MYMAARRDVKDNLS-RRFJBIMHSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001190983515 845558756 /nfs/dbraw/zinc/55/87/56/845558756.db2.gz MYMAARRDVKDNLS-RRFJBIMHSA-N 1 2 292.379 0.154 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 ZINC001191401106 845639730 /nfs/dbraw/zinc/63/97/30/845639730.db2.gz DNBJRUMHBRVAHF-VXGBXAGGSA-N 1 2 270.398 0.314 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 ZINC001191401106 845639734 /nfs/dbraw/zinc/63/97/34/845639734.db2.gz DNBJRUMHBRVAHF-VXGBXAGGSA-N 1 2 270.398 0.314 20 30 CCEDLO N#CCS(=O)(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001193002973 845953350 /nfs/dbraw/zinc/95/33/50/845953350.db2.gz QLQOJLLKJPREBV-UHFFFAOYSA-N 1 2 267.301 0.160 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001193182980 846027821 /nfs/dbraw/zinc/02/78/21/846027821.db2.gz VERYMJCTGQLQHH-SECBINFHSA-N 1 2 281.328 0.549 20 30 CCEDLO COc1ccc(C#N)c(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC001193705372 846147801 /nfs/dbraw/zinc/14/78/01/846147801.db2.gz DRDWKVVWLCURET-UHFFFAOYSA-N 1 2 295.364 0.551 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)OCC)n1 ZINC001194008698 846195803 /nfs/dbraw/zinc/19/58/03/846195803.db2.gz LBPLBBLGDYUVGF-UHFFFAOYSA-N 1 2 293.367 0.918 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)OCC)n1 ZINC001194008698 846195807 /nfs/dbraw/zinc/19/58/07/846195807.db2.gz LBPLBBLGDYUVGF-UHFFFAOYSA-N 1 2 293.367 0.918 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440329 846303236 /nfs/dbraw/zinc/30/32/36/846303236.db2.gz WUMOCOIODAFNME-CYBMUJFWSA-N 1 2 275.356 0.720 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)OC)CO2 ZINC001273688012 846428939 /nfs/dbraw/zinc/42/89/39/846428939.db2.gz VDJXGOLFDRWXDJ-STQMWFEESA-N 1 2 282.384 0.947 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CCOC)C1 ZINC001194996820 846438590 /nfs/dbraw/zinc/43/85/90/846438590.db2.gz IOKJDNHLISWTJP-UMVBOHGHSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CCOC)C1 ZINC001194996820 846438592 /nfs/dbraw/zinc/43/85/92/846438592.db2.gz IOKJDNHLISWTJP-UMVBOHGHSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001195587455 846580860 /nfs/dbraw/zinc/58/08/60/846580860.db2.gz KDKCOHHQRYYSJS-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001195587455 846580864 /nfs/dbraw/zinc/58/08/64/846580864.db2.gz KDKCOHHQRYYSJS-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774418 846804088 /nfs/dbraw/zinc/80/40/88/846804088.db2.gz FFWPXYSJPLQTIX-CHWSQXEVSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774418 846804095 /nfs/dbraw/zinc/80/40/95/846804095.db2.gz FFWPXYSJPLQTIX-CHWSQXEVSA-N 1 2 297.374 0.407 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198158042 847056363 /nfs/dbraw/zinc/05/63/63/847056363.db2.gz XQEBOMXROPYSMX-GHMZBOCLSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198158042 847056368 /nfs/dbraw/zinc/05/63/68/847056368.db2.gz XQEBOMXROPYSMX-GHMZBOCLSA-N 1 2 254.330 0.514 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001198684807 847153832 /nfs/dbraw/zinc/15/38/32/847153832.db2.gz FATOPJHALMRWOG-LBPRGKRZSA-N 1 2 268.263 0.337 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001198975668 847200066 /nfs/dbraw/zinc/20/00/66/847200066.db2.gz OYEPOSVFRKMISV-RBSFLKMASA-N 1 2 290.338 0.362 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001198975668 847200074 /nfs/dbraw/zinc/20/00/74/847200074.db2.gz OYEPOSVFRKMISV-RBSFLKMASA-N 1 2 290.338 0.362 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H](COC)C(=O)OC ZINC001273803243 847531195 /nfs/dbraw/zinc/53/11/95/847531195.db2.gz DCPHQLIRTKHIIP-UPJWGTAASA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@@H](COC)C(=O)OC ZINC001273803243 847531202 /nfs/dbraw/zinc/53/12/02/847531202.db2.gz DCPHQLIRTKHIIP-UPJWGTAASA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCNC(=S)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001200286493 847595284 /nfs/dbraw/zinc/59/52/84/847595284.db2.gz NIZIUUNFTDFAIE-UHFFFAOYSA-N 1 2 296.440 0.285 20 30 CCEDLO C=CCNC(=S)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001200286493 847595289 /nfs/dbraw/zinc/59/52/89/847595289.db2.gz NIZIUUNFTDFAIE-UHFFFAOYSA-N 1 2 296.440 0.285 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110579978 847889170 /nfs/dbraw/zinc/88/91/70/847889170.db2.gz RIYKLZJVABIKRP-UPJWGTAASA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110579978 847889181 /nfs/dbraw/zinc/88/91/81/847889181.db2.gz RIYKLZJVABIKRP-UPJWGTAASA-N 1 2 289.379 0.257 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273950960 847921524 /nfs/dbraw/zinc/92/15/24/847921524.db2.gz MPYQALRRWICGJX-HNNXBMFYSA-N 1 2 280.368 0.702 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273950960 847921530 /nfs/dbraw/zinc/92/15/30/847921530.db2.gz MPYQALRRWICGJX-HNNXBMFYSA-N 1 2 280.368 0.702 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001153097108 847925719 /nfs/dbraw/zinc/92/57/19/847925719.db2.gz BBONMESNTRQTJF-NSHDSACASA-N 1 2 296.371 0.990 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001153134604 847930723 /nfs/dbraw/zinc/93/07/23/847930723.db2.gz GOFZQIURZUUXBG-VIFPVBQESA-N 1 2 270.358 0.335 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001153161113 847939715 /nfs/dbraw/zinc/93/97/15/847939715.db2.gz XAGWWMFAMMHKLW-MNOVXSKESA-N 1 2 296.371 0.990 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](CCCC(=O)OCC)C2 ZINC001273970344 848036678 /nfs/dbraw/zinc/03/66/78/848036678.db2.gz LWUVBOIIJPFPPS-UHFFFAOYSA-N 1 2 296.367 0.429 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](COCCOC)C2)OCC1=O ZINC001273990795 848211627 /nfs/dbraw/zinc/21/16/27/848211627.db2.gz SAHKXKMRBXUWLQ-CQSZACIVSA-N 1 2 284.356 0.096 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](COCCOC)C2)OCC1=O ZINC001273990795 848211635 /nfs/dbraw/zinc/21/16/35/848211635.db2.gz SAHKXKMRBXUWLQ-CQSZACIVSA-N 1 2 284.356 0.096 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1O)C2 ZINC001095345565 848257710 /nfs/dbraw/zinc/25/77/10/848257710.db2.gz XJJBMXNZCXXKPB-WOPDTQHZSA-N 1 2 271.320 0.756 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1O)C2 ZINC001095345565 848257718 /nfs/dbraw/zinc/25/77/18/848257718.db2.gz XJJBMXNZCXXKPB-WOPDTQHZSA-N 1 2 271.320 0.756 20 30 CCEDLO COCCOCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031165 848312506 /nfs/dbraw/zinc/31/25/06/848312506.db2.gz JGFJZBNEQJWKEA-HNNXBMFYSA-N 1 2 295.383 0.978 20 30 CCEDLO COCCOCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031165 848312509 /nfs/dbraw/zinc/31/25/09/848312509.db2.gz JGFJZBNEQJWKEA-HNNXBMFYSA-N 1 2 295.383 0.978 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001275403726 848710164 /nfs/dbraw/zinc/71/01/64/848710164.db2.gz LDKNDTBNOOXFPJ-WDEREUQCSA-N 1 2 296.396 0.561 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)N(C)CC#N ZINC001275865135 848849415 /nfs/dbraw/zinc/84/94/15/848849415.db2.gz FTJDIGFXQZWNCN-VXGBXAGGSA-N 1 2 275.356 0.406 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C(C)(C)C2CC2)C1 ZINC001276076084 848917449 /nfs/dbraw/zinc/91/74/49/848917449.db2.gz RVUPFFVABIVCQB-UHFFFAOYSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2[nH]cnc2CC)C1 ZINC001276101184 848927064 /nfs/dbraw/zinc/92/70/64/848927064.db2.gz OTFYPNAQNDUPAQ-UHFFFAOYSA-N 1 2 290.367 0.162 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110898502 849017407 /nfs/dbraw/zinc/01/74/07/849017407.db2.gz IFTDGQBQCVQNDJ-LPWJVIDDSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110898502 849017423 /nfs/dbraw/zinc/01/74/23/849017423.db2.gz IFTDGQBQCVQNDJ-LPWJVIDDSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001110987664 849038027 /nfs/dbraw/zinc/03/80/27/849038027.db2.gz ZJBVKMVTRMSIFY-UPJWGTAASA-N 1 2 291.395 0.940 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001110987664 849038034 /nfs/dbraw/zinc/03/80/34/849038034.db2.gz ZJBVKMVTRMSIFY-UPJWGTAASA-N 1 2 291.395 0.940 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111040435 849052790 /nfs/dbraw/zinc/05/27/90/849052790.db2.gz LODXPQUFXDZHOM-UPJWGTAASA-N 1 2 275.356 0.645 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111040435 849052797 /nfs/dbraw/zinc/05/27/97/849052797.db2.gz LODXPQUFXDZHOM-UPJWGTAASA-N 1 2 275.356 0.645 20 30 CCEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cncc(C#N)c1 ZINC000687261580 849097456 /nfs/dbraw/zinc/09/74/56/849097456.db2.gz AKBBRSQCNIVKAG-TXEJJXNPSA-N 1 2 292.364 0.420 20 30 CCEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cncc(C#N)c1 ZINC000687261580 849097461 /nfs/dbraw/zinc/09/74/61/849097461.db2.gz AKBBRSQCNIVKAG-TXEJJXNPSA-N 1 2 292.364 0.420 20 30 CCEDLO CNC(=O)C[NH+](CCCC(C)(C)C#N)CC(=O)NC ZINC000720535516 849487357 /nfs/dbraw/zinc/48/73/57/849487357.db2.gz BPBOEXYFANTXBT-UHFFFAOYSA-N 1 2 268.361 0.110 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001037990130 849624604 /nfs/dbraw/zinc/62/46/04/849624604.db2.gz JZSPZFIQPODUHI-OLZOCXBDSA-N 1 2 275.356 0.623 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC001253679378 849792470 /nfs/dbraw/zinc/79/24/70/849792470.db2.gz DLHJTISWJVVXCZ-LBPRGKRZSA-N 1 2 283.372 0.220 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038262906 849832468 /nfs/dbraw/zinc/83/24/68/849832468.db2.gz PGVVCSVVIXHFGF-OLZOCXBDSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038262906 849832469 /nfs/dbraw/zinc/83/24/69/849832469.db2.gz PGVVCSVVIXHFGF-OLZOCXBDSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001038326645 849851215 /nfs/dbraw/zinc/85/12/15/849851215.db2.gz WJOCLNSZMSROGY-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001038326645 849851222 /nfs/dbraw/zinc/85/12/22/849851222.db2.gz WJOCLNSZMSROGY-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001038327653 849852204 /nfs/dbraw/zinc/85/22/04/849852204.db2.gz KHAPQCSCLOIQQR-KBPBESRZSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001038327653 849852212 /nfs/dbraw/zinc/85/22/12/849852212.db2.gz KHAPQCSCLOIQQR-KBPBESRZSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038394633 849881611 /nfs/dbraw/zinc/88/16/11/849881611.db2.gz WKZCIEHXBQYVRQ-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038394633 849881621 /nfs/dbraw/zinc/88/16/21/849881621.db2.gz WKZCIEHXBQYVRQ-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001038427104 849893365 /nfs/dbraw/zinc/89/33/65/849893365.db2.gz CUYKJXDGNNTMNX-LLVKDONJSA-N 1 2 299.334 0.175 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001038427104 849893370 /nfs/dbraw/zinc/89/33/70/849893370.db2.gz CUYKJXDGNNTMNX-LLVKDONJSA-N 1 2 299.334 0.175 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038434979 849896604 /nfs/dbraw/zinc/89/66/04/849896604.db2.gz LFKCNBMXGVHBBP-CQSZACIVSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038434979 849896612 /nfs/dbraw/zinc/89/66/12/849896612.db2.gz LFKCNBMXGVHBBP-CQSZACIVSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001038434333 849896896 /nfs/dbraw/zinc/89/68/96/849896896.db2.gz WSVZVBZQZRYQMG-QWHCGFSZSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001038434333 849896902 /nfs/dbraw/zinc/89/69/02/849896902.db2.gz WSVZVBZQZRYQMG-QWHCGFSZSA-N 1 2 272.352 0.584 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001038447994 849903307 /nfs/dbraw/zinc/90/33/07/849903307.db2.gz JLWBCUJCVHNMJR-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001038447994 849903314 /nfs/dbraw/zinc/90/33/14/849903314.db2.gz JLWBCUJCVHNMJR-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038512110 849927624 /nfs/dbraw/zinc/92/76/24/849927624.db2.gz VSILUWHDBVFHPG-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038512110 849927637 /nfs/dbraw/zinc/92/76/37/849927637.db2.gz VSILUWHDBVFHPG-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038516915 849928588 /nfs/dbraw/zinc/92/85/88/849928588.db2.gz PMNULPUEYWDQRO-NSHDSACASA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038516915 849928596 /nfs/dbraw/zinc/92/85/96/849928596.db2.gz PMNULPUEYWDQRO-NSHDSACASA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001038539091 849933999 /nfs/dbraw/zinc/93/39/99/849933999.db2.gz RXRWZXCAMWYPEH-YNEHKIRRSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001038539091 849934007 /nfs/dbraw/zinc/93/40/07/849934007.db2.gz RXRWZXCAMWYPEH-YNEHKIRRSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038558942 849942668 /nfs/dbraw/zinc/94/26/68/849942668.db2.gz BDLGPNZKCQVYLJ-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038558942 849942679 /nfs/dbraw/zinc/94/26/79/849942679.db2.gz BDLGPNZKCQVYLJ-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001038559220 849943357 /nfs/dbraw/zinc/94/33/57/849943357.db2.gz WPTMKJUCLXLQMY-NEPJUHHUSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001038559220 849943362 /nfs/dbraw/zinc/94/33/62/849943362.db2.gz WPTMKJUCLXLQMY-NEPJUHHUSA-N 1 2 288.351 0.351 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038682942 849980633 /nfs/dbraw/zinc/98/06/33/849980633.db2.gz GDWKCAZROZLFRM-GHMZBOCLSA-N 1 2 273.340 0.544 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001038773067 850011579 /nfs/dbraw/zinc/01/15/79/850011579.db2.gz GVUNVTNOECSGDK-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001038773067 850011584 /nfs/dbraw/zinc/01/15/84/850011584.db2.gz GVUNVTNOECSGDK-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038879035 850064676 /nfs/dbraw/zinc/06/46/76/850064676.db2.gz RNCCXVQSSOPHGB-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038879035 850064690 /nfs/dbraw/zinc/06/46/90/850064690.db2.gz RNCCXVQSSOPHGB-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001038964888 850102991 /nfs/dbraw/zinc/10/29/91/850102991.db2.gz VMEAYNAQUJWXEY-KGLIPLIRSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001038964888 850103000 /nfs/dbraw/zinc/10/30/00/850103000.db2.gz VMEAYNAQUJWXEY-KGLIPLIRSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038968039 850104255 /nfs/dbraw/zinc/10/42/55/850104255.db2.gz HJQGUCYGZSRPRS-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038968039 850104262 /nfs/dbraw/zinc/10/42/62/850104262.db2.gz HJQGUCYGZSRPRS-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042089935 850577993 /nfs/dbraw/zinc/57/79/93/850577993.db2.gz HEKFKVWHVFROON-JSGCOSHPSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042089935 850578001 /nfs/dbraw/zinc/57/80/01/850578001.db2.gz HEKFKVWHVFROON-JSGCOSHPSA-N 1 2 287.367 0.789 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001042443208 850646683 /nfs/dbraw/zinc/64/66/83/850646683.db2.gz DAWHCPIROQFDEZ-UHFFFAOYSA-N 1 2 259.309 0.100 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2COCCO2)C1 ZINC001042490241 850663017 /nfs/dbraw/zinc/66/30/17/850663017.db2.gz BFYLGBFAYPGKLM-GFCCVEGCSA-N 1 2 254.330 0.121 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2N)C1 ZINC001042642730 850721037 /nfs/dbraw/zinc/72/10/37/850721037.db2.gz SBXMSZNKLDMOHF-UHFFFAOYSA-N 1 2 263.345 0.335 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2OCCCO2)C1 ZINC001042653950 850724787 /nfs/dbraw/zinc/72/47/87/850724787.db2.gz KZXCFMIYZAKYPI-UHFFFAOYSA-N 1 2 268.357 0.858 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(CC#N)C1 ZINC001042974498 850790908 /nfs/dbraw/zinc/79/09/08/850790908.db2.gz WMQMDOOHFYBREF-GHMZBOCLSA-N 1 2 259.313 0.179 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(CC#N)C1 ZINC001042974498 850790919 /nfs/dbraw/zinc/79/09/19/850790919.db2.gz WMQMDOOHFYBREF-GHMZBOCLSA-N 1 2 259.313 0.179 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001043011472 850797304 /nfs/dbraw/zinc/79/73/04/850797304.db2.gz JOISOKFIKYCFMS-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001043065714 850806720 /nfs/dbraw/zinc/80/67/20/850806720.db2.gz QVACMQXBBWSJKU-OAHLLOKOSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001043113718 850816223 /nfs/dbraw/zinc/81/62/23/850816223.db2.gz RAHUMCLEAJVYCX-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043136334 850820082 /nfs/dbraw/zinc/82/00/82/850820082.db2.gz MORFRYOZVQEVSD-LBPRGKRZSA-N 1 2 272.352 0.221 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001043453202 850874735 /nfs/dbraw/zinc/87/47/35/850874735.db2.gz JWLUTAKOTRZIJC-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001043453202 850874736 /nfs/dbraw/zinc/87/47/36/850874736.db2.gz JWLUTAKOTRZIJC-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)cnn2C)C1 ZINC001043565389 850899591 /nfs/dbraw/zinc/89/95/91/850899591.db2.gz CAYFBPFCPMZYNG-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001043656150 850918552 /nfs/dbraw/zinc/91/85/52/850918552.db2.gz WFTBENWQBOBITE-NSHDSACASA-N 1 2 289.383 0.249 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001043751046 850931291 /nfs/dbraw/zinc/93/12/91/850931291.db2.gz VSFWTUFWOQKUAE-UHFFFAOYSA-N 1 2 250.302 0.068 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001043785420 850936509 /nfs/dbraw/zinc/93/65/09/850936509.db2.gz XQRXSDHNSVUBSV-AWEZNQCLSA-N 1 2 265.357 0.374 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001043814378 850940255 /nfs/dbraw/zinc/94/02/55/850940255.db2.gz OPSAIAABXXMIHN-LLVKDONJSA-N 1 2 252.358 0.866 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001043878742 850953672 /nfs/dbraw/zinc/95/36/72/850953672.db2.gz GDBGMGZEUZGZAN-UHFFFAOYSA-N 1 2 276.340 0.446 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001044082320 851005021 /nfs/dbraw/zinc/00/50/21/851005021.db2.gz CQNRIBHLORKRJC-UHFFFAOYSA-N 1 2 274.368 0.762 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CC)nn2)C1 ZINC001044107137 851012494 /nfs/dbraw/zinc/01/24/94/851012494.db2.gz DAUVFWXYYZRJNI-UHFFFAOYSA-N 1 2 263.345 0.630 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CCC)nn2)C1 ZINC001044105940 851013429 /nfs/dbraw/zinc/01/34/29/851013429.db2.gz VOTLUQVIWCAGPA-UHFFFAOYSA-N 1 2 275.356 0.468 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCCO)C2)cn1 ZINC001044204152 851041478 /nfs/dbraw/zinc/04/14/78/851041478.db2.gz TWFYHASEQFWPMV-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001044245142 851053839 /nfs/dbraw/zinc/05/38/39/851053839.db2.gz XOBFSGSUHAZJDQ-GFCCVEGCSA-N 1 2 265.357 0.326 20 30 CCEDLO CC[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046006471 851347451 /nfs/dbraw/zinc/34/74/51/851347451.db2.gz MERLJJSNFNKKNY-KGLIPLIRSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN(CC#N)C1 ZINC001046429266 851499365 /nfs/dbraw/zinc/49/93/65/851499365.db2.gz RCAAQZNGASGQAT-IUODEOHRSA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046460040 851515353 /nfs/dbraw/zinc/51/53/53/851515353.db2.gz BSXSZSOFIJJQEQ-OCCSQVGLSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046460040 851515360 /nfs/dbraw/zinc/51/53/60/851515360.db2.gz BSXSZSOFIJJQEQ-OCCSQVGLSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046568358 851552848 /nfs/dbraw/zinc/55/28/48/851552848.db2.gz QLIKTJOKLKBPLB-GOEBONIOSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046568358 851552853 /nfs/dbraw/zinc/55/28/53/851552853.db2.gz QLIKTJOKLKBPLB-GOEBONIOSA-N 1 2 293.411 0.309 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046579345 851556248 /nfs/dbraw/zinc/55/62/48/851556248.db2.gz LEZHRPNGBUZUMD-CYBMUJFWSA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046579345 851556254 /nfs/dbraw/zinc/55/62/54/851556254.db2.gz LEZHRPNGBUZUMD-CYBMUJFWSA-N 1 2 296.758 0.717 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN(CC#N)C1 ZINC001046612590 851565590 /nfs/dbraw/zinc/56/55/90/851565590.db2.gz RMVZYNXEIAPBFH-XHDPSFHLSA-N 1 2 287.367 0.934 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770498 851609768 /nfs/dbraw/zinc/60/97/68/851609768.db2.gz FKBLEHYROOCAMB-XHDPSFHLSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770498 851609774 /nfs/dbraw/zinc/60/97/74/851609774.db2.gz FKBLEHYROOCAMB-XHDPSFHLSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770498 851609780 /nfs/dbraw/zinc/60/97/80/851609780.db2.gz FKBLEHYROOCAMB-XHDPSFHLSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770498 851609786 /nfs/dbraw/zinc/60/97/86/851609786.db2.gz FKBLEHYROOCAMB-XHDPSFHLSA-N 1 2 289.383 0.676 20 30 CCEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046983427 851653171 /nfs/dbraw/zinc/65/31/71/851653171.db2.gz DGWGAZOEVVXSFO-JTQLQIEISA-N 1 2 297.309 0.515 20 30 CCEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046983427 851653178 /nfs/dbraw/zinc/65/31/78/851653178.db2.gz DGWGAZOEVVXSFO-JTQLQIEISA-N 1 2 297.309 0.515 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047269849 851686319 /nfs/dbraw/zinc/68/63/19/851686319.db2.gz KWLKHXOADFVNKK-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047269849 851686326 /nfs/dbraw/zinc/68/63/26/851686326.db2.gz KWLKHXOADFVNKK-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2F)C1 ZINC001047285890 851698475 /nfs/dbraw/zinc/69/84/75/851698475.db2.gz UGQNMTGTXLXMLI-KBPBESRZSA-N 1 2 276.311 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2F)C1 ZINC001047285890 851698480 /nfs/dbraw/zinc/69/84/80/851698480.db2.gz UGQNMTGTXLXMLI-KBPBESRZSA-N 1 2 276.311 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001047300447 851703844 /nfs/dbraw/zinc/70/38/44/851703844.db2.gz ZHLAOLYXYLOHGR-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001047300447 851703847 /nfs/dbraw/zinc/70/38/47/851703847.db2.gz ZHLAOLYXYLOHGR-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001047364141 851737549 /nfs/dbraw/zinc/73/75/49/851737549.db2.gz DASBAPSWJXZLQM-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001047364141 851737556 /nfs/dbraw/zinc/73/75/56/851737556.db2.gz DASBAPSWJXZLQM-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001047537444 851807615 /nfs/dbraw/zinc/80/76/15/851807615.db2.gz JUUPOFBKELAPRK-KBPBESRZSA-N 1 2 290.367 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001047537444 851807623 /nfs/dbraw/zinc/80/76/23/851807623.db2.gz JUUPOFBKELAPRK-KBPBESRZSA-N 1 2 290.367 0.283 20 30 CCEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544090 851808846 /nfs/dbraw/zinc/80/88/46/851808846.db2.gz MJXJMDZMMMSORG-RYUDHWBXSA-N 1 2 298.774 0.208 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001047613856 851835121 /nfs/dbraw/zinc/83/51/21/851835121.db2.gz ODSXGHONLNGTJO-HOTGVXAUSA-N 1 2 299.374 0.709 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001047613856 851835126 /nfs/dbraw/zinc/83/51/26/851835126.db2.gz ODSXGHONLNGTJO-HOTGVXAUSA-N 1 2 299.374 0.709 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001096261045 851872577 /nfs/dbraw/zinc/87/25/77/851872577.db2.gz WOMBMYDBKAMQCK-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096259949 851873335 /nfs/dbraw/zinc/87/33/35/851873335.db2.gz SFCQTEZCLVOEOY-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(N)=O)C1 ZINC001097805734 852621035 /nfs/dbraw/zinc/62/10/35/852621035.db2.gz VEBBMRQOEPMOCI-LOWDOPEQSA-N 1 2 291.395 0.938 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(N)=O)C1 ZINC001097805734 852621040 /nfs/dbraw/zinc/62/10/40/852621040.db2.gz VEBBMRQOEPMOCI-LOWDOPEQSA-N 1 2 291.395 0.938 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]nc1C)O2 ZINC001053633761 852772300 /nfs/dbraw/zinc/77/23/00/852772300.db2.gz ADCGKXPNTCKPHP-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]cnc1C)O2 ZINC001053702320 852778098 /nfs/dbraw/zinc/77/80/98/852778098.db2.gz USQSCRHYQVTMJL-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C)n1)O2 ZINC001053698423 852778421 /nfs/dbraw/zinc/77/84/21/852778421.db2.gz KZJVNTAMIDOWCR-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1)CO2 ZINC001053736539 852794270 /nfs/dbraw/zinc/79/42/70/852794270.db2.gz WFVQYMZUYOWSKO-CYBMUJFWSA-N 1 2 288.351 0.017 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cscn1)CO2 ZINC001053754069 852804386 /nfs/dbraw/zinc/80/43/86/852804386.db2.gz GWDQMJSKFXHPDM-LLVKDONJSA-N 1 2 291.376 0.740 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCOCC1)CO2 ZINC001053785346 852819998 /nfs/dbraw/zinc/81/99/98/852819998.db2.gz JIJPHFGICAIFKE-AWEZNQCLSA-N 1 2 290.363 0.316 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2C1 ZINC001054263987 852898992 /nfs/dbraw/zinc/89/89/92/852898992.db2.gz NURYCBSKDCCJJE-CQSZACIVSA-N 1 2 299.330 0.360 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2C1 ZINC001054263987 852899000 /nfs/dbraw/zinc/89/90/00/852899000.db2.gz NURYCBSKDCCJJE-CQSZACIVSA-N 1 2 299.330 0.360 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2C[C@H](NCC#N)[C@@H](C)C2)c[nH+]1 ZINC001054794954 853016895 /nfs/dbraw/zinc/01/68/95/853016895.db2.gz SEMBARZDYRGMPJ-AAEUAGOBSA-N 1 2 289.383 0.887 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001098006670 853122391 /nfs/dbraw/zinc/12/23/91/853122391.db2.gz KREKDAVUPRMSBI-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001098006825 853123778 /nfs/dbraw/zinc/12/37/78/853123778.db2.gz NOHPZCODBQLLGV-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056687945 853183843 /nfs/dbraw/zinc/18/38/43/853183843.db2.gz UPDOUSGRCJPULH-GFCCVEGCSA-N 1 2 296.334 0.354 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCOCC1 ZINC001050778473 853429907 /nfs/dbraw/zinc/42/99/07/853429907.db2.gz OMJREHCDRJTFGB-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCOCC1 ZINC001050778473 853429908 /nfs/dbraw/zinc/42/99/08/853429908.db2.gz OMJREHCDRJTFGB-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001050908634 853483522 /nfs/dbraw/zinc/48/35/22/853483522.db2.gz KUXHMPZQTSSLAR-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001050908634 853483527 /nfs/dbraw/zinc/48/35/27/853483527.db2.gz KUXHMPZQTSSLAR-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001050915523 853485240 /nfs/dbraw/zinc/48/52/40/853485240.db2.gz VXWWMGBTJXFLGP-LBPRGKRZSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001050915523 853485245 /nfs/dbraw/zinc/48/52/45/853485245.db2.gz VXWWMGBTJXFLGP-LBPRGKRZSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001051125202 853528390 /nfs/dbraw/zinc/52/83/90/853528390.db2.gz ZEDCOKCDVYNKRI-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001051125202 853528398 /nfs/dbraw/zinc/52/83/98/853528398.db2.gz ZEDCOKCDVYNKRI-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnn1 ZINC001051183551 853542715 /nfs/dbraw/zinc/54/27/15/853542715.db2.gz OEABQHBNWALILS-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnn1 ZINC001051183551 853542716 /nfs/dbraw/zinc/54/27/16/853542716.db2.gz OEABQHBNWALILS-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(F)F)C2)CC1 ZINC001051970085 853668499 /nfs/dbraw/zinc/66/84/99/853668499.db2.gz WJYVZFMYKSZVPZ-LBPRGKRZSA-N 1 2 285.338 0.493 20 30 CCEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052063587 853679232 /nfs/dbraw/zinc/67/92/32/853679232.db2.gz WRFZZLLPEPDSSX-CABCVRRESA-N 1 2 295.402 0.976 20 30 CCEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052063590 853680189 /nfs/dbraw/zinc/68/01/89/853680189.db2.gz WRFZZLLPEPDSSX-LSDHHAIUSA-N 1 2 295.402 0.976 20 30 CCEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001098066441 853895239 /nfs/dbraw/zinc/89/52/39/853895239.db2.gz KLUWSXYQVKXWPV-MXWKQRLJSA-N 1 2 261.329 0.716 20 30 CCEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001098066441 853895241 /nfs/dbraw/zinc/89/52/41/853895241.db2.gz KLUWSXYQVKXWPV-MXWKQRLJSA-N 1 2 261.329 0.716 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069906233 853995882 /nfs/dbraw/zinc/99/58/82/853995882.db2.gz KSRXOSAQZVJRQQ-BNOWGMLFSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069906233 853995886 /nfs/dbraw/zinc/99/58/86/853995886.db2.gz KSRXOSAQZVJRQQ-BNOWGMLFSA-N 1 2 287.367 0.299 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nccn2)CC[C@H]1C ZINC001071537154 854231564 /nfs/dbraw/zinc/23/15/64/854231564.db2.gz UNCCAWIHSNTPJR-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2nccn2)CC[C@H]1C ZINC001071537154 854231571 /nfs/dbraw/zinc/23/15/71/854231571.db2.gz UNCCAWIHSNTPJR-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO Cc1noc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072553371 854414045 /nfs/dbraw/zinc/41/40/45/854414045.db2.gz YKHFDLZHZAKEQH-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072553371 854414047 /nfs/dbraw/zinc/41/40/47/854414047.db2.gz YKHFDLZHZAKEQH-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864888 854482606 /nfs/dbraw/zinc/48/26/06/854482606.db2.gz VICDYMATQGZVHT-ZDUSSCGKSA-N 1 2 299.378 0.503 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncccc2O)C1 ZINC001073582612 854603630 /nfs/dbraw/zinc/60/36/30/854603630.db2.gz OZRQDBJIHCMIIF-LBPRGKRZSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncccc2O)C1 ZINC001073582612 854603635 /nfs/dbraw/zinc/60/36/35/854603635.db2.gz OZRQDBJIHCMIIF-LBPRGKRZSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235077 854703401 /nfs/dbraw/zinc/70/34/01/854703401.db2.gz DAWBFXZTRRTFJF-HZPDHXFCSA-N 1 2 286.375 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235077 854703405 /nfs/dbraw/zinc/70/34/05/854703405.db2.gz DAWBFXZTRRTFJF-HZPDHXFCSA-N 1 2 286.375 0.725 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)nc1 ZINC001074386025 854723040 /nfs/dbraw/zinc/72/30/40/854723040.db2.gz ZBBWLSAXXKGPIU-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)nc1 ZINC001074386025 854723044 /nfs/dbraw/zinc/72/30/44/854723044.db2.gz ZBBWLSAXXKGPIU-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 ZINC001099139168 854916122 /nfs/dbraw/zinc/91/61/22/854916122.db2.gz XMJGITREYZICCE-WFASDCNBSA-N 1 2 287.367 0.755 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001100354003 855154556 /nfs/dbraw/zinc/15/45/56/855154556.db2.gz CNRWNJJYCKZRGZ-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO C[C@H](CC(=O)NCC1CC(NCC#N)C1)n1cc[nH+]c1 ZINC001100715242 855212641 /nfs/dbraw/zinc/21/26/41/855212641.db2.gz FYJKXRYQPNRNSI-PNESKVBLSA-N 1 2 275.356 0.842 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)COC)c1nccn12 ZINC001101602322 855324462 /nfs/dbraw/zinc/32/44/62/855324462.db2.gz CQKIWPLSGWBAGO-LLVKDONJSA-N 1 2 276.340 0.287 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001101889052 855385442 /nfs/dbraw/zinc/38/54/42/855385442.db2.gz FRWYQKHAWOSKQY-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102614104 855449130 /nfs/dbraw/zinc/44/91/30/855449130.db2.gz NQRQYEMWHXEHRP-VXGBXAGGSA-N 1 2 261.329 0.091 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001103118124 855497428 /nfs/dbraw/zinc/49/74/28/855497428.db2.gz QUIPTOHIKOVPBY-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001103334541 855512962 /nfs/dbraw/zinc/51/29/62/855512962.db2.gz FVOJEFRGWPEHFX-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCCN1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001117105534 855913970 /nfs/dbraw/zinc/91/39/70/855913970.db2.gz QPCVYTRPMTZRFO-CQSZACIVSA-N 1 2 284.425 0.452 20 30 CCEDLO N#CCc1ccccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001118931584 856498575 /nfs/dbraw/zinc/49/85/75/856498575.db2.gz IQGRCXBVTAYROW-UHFFFAOYSA-N 1 2 291.376 0.903 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001119630716 856793242 /nfs/dbraw/zinc/79/32/42/856793242.db2.gz IIWVNKUEJXBIRD-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001119630716 856793252 /nfs/dbraw/zinc/79/32/52/856793252.db2.gz IIWVNKUEJXBIRD-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001119942462 856928436 /nfs/dbraw/zinc/92/84/36/856928436.db2.gz CEIGLURUVWMYNB-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001119942462 856928446 /nfs/dbraw/zinc/92/84/46/856928446.db2.gz CEIGLURUVWMYNB-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(C(F)F)no1 ZINC001398873586 914901354 /nfs/dbraw/zinc/90/13/54/914901354.db2.gz HARVSOXQYJPKMS-NKWVEPMBSA-N 1 2 287.270 0.761 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1c(C)c(C)sc1=O ZINC001323354424 912290765 /nfs/dbraw/zinc/29/07/65/912290765.db2.gz AMCQHVPSGFZOPJ-LBPRGKRZSA-N 1 2 293.392 0.350 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1c(C)c(C)sc1=O ZINC001323354424 912290782 /nfs/dbraw/zinc/29/07/82/912290782.db2.gz AMCQHVPSGFZOPJ-LBPRGKRZSA-N 1 2 293.392 0.350 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(CCOC)CC2)C1 ZINC001323934946 912590689 /nfs/dbraw/zinc/59/06/89/912590689.db2.gz XELHTHWWQWZLRL-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001323979639 912609956 /nfs/dbraw/zinc/60/99/56/912609956.db2.gz QALNEBSHMYAIRM-HNNXBMFYSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001325266084 913307641 /nfs/dbraw/zinc/30/76/41/913307641.db2.gz YFPDXAJDAASBHL-OLZOCXBDSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2(O)C[NH+](CCC[C@H](C)O)C2)C1 ZINC001325275313 913316132 /nfs/dbraw/zinc/31/61/32/913316132.db2.gz YDQJBPFRXDMIEX-ZDUSSCGKSA-N 1 2 296.411 0.667 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(C#N)CC1 ZINC001325676917 913519719 /nfs/dbraw/zinc/51/97/19/913519719.db2.gz IEDBEYANJIHSMK-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO Cc1cscc1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266280979 891417164 /nfs/dbraw/zinc/41/71/64/891417164.db2.gz AHHMJSVRWKRCQL-UHFFFAOYSA-N 1 2 292.408 0.928 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001283136198 891650918 /nfs/dbraw/zinc/65/09/18/891650918.db2.gz UHQUUGXMNAPURP-WDEREUQCSA-N 1 2 292.383 0.951 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001480909604 891748320 /nfs/dbraw/zinc/74/83/20/891748320.db2.gz REKQFVSQPVHPFQ-CHWSQXEVSA-N 1 2 279.384 0.220 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001480909604 891748327 /nfs/dbraw/zinc/74/83/27/891748327.db2.gz REKQFVSQPVHPFQ-CHWSQXEVSA-N 1 2 279.384 0.220 20 30 CCEDLO CN(CC[NH2+]Cc1csnn1)C(=O)c1cc(C#N)c[nH]1 ZINC001481218611 892374914 /nfs/dbraw/zinc/37/49/14/892374914.db2.gz VPHYJLDHPKUHHC-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001420646591 892439753 /nfs/dbraw/zinc/43/97/53/892439753.db2.gz ZGPSUBIOVVBCIQ-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001420646591 892439763 /nfs/dbraw/zinc/43/97/63/892439763.db2.gz ZGPSUBIOVVBCIQ-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481535092 892783646 /nfs/dbraw/zinc/78/36/46/892783646.db2.gz HJEFVWHVJIVJGV-NSHDSACASA-N 1 2 296.371 0.118 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001481535092 892783649 /nfs/dbraw/zinc/78/36/49/892783649.db2.gz HJEFVWHVJIVJGV-NSHDSACASA-N 1 2 296.371 0.118 20 30 CCEDLO CCCCNC(=O)C[NH+]1CC(CNC(=O)C#CC2CC2)C1 ZINC001481624099 892923670 /nfs/dbraw/zinc/92/36/70/892923670.db2.gz MJIWOCCMUOBYQF-UHFFFAOYSA-N 1 2 291.395 0.364 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481642693 892952208 /nfs/dbraw/zinc/95/22/08/892952208.db2.gz NQSGMPKRMYUNRG-HZMBPMFUSA-N 1 2 267.373 0.511 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCc1cn[nH]n1 ZINC001481675324 892991473 /nfs/dbraw/zinc/99/14/73/892991473.db2.gz KDNGEJASQPPMKG-KBPBESRZSA-N 1 2 289.383 0.989 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCc1cn[nH]n1 ZINC001481675324 892991487 /nfs/dbraw/zinc/99/14/87/892991487.db2.gz KDNGEJASQPPMKG-KBPBESRZSA-N 1 2 289.383 0.989 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCOCC ZINC001481682868 892996712 /nfs/dbraw/zinc/99/67/12/892996712.db2.gz ITWLCVYXTGLYHP-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCOCC ZINC001481682868 892996719 /nfs/dbraw/zinc/99/67/19/892996719.db2.gz ITWLCVYXTGLYHP-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481721298 893092850 /nfs/dbraw/zinc/09/28/50/893092850.db2.gz RBYLBYAHXHHILU-LBPRGKRZSA-N 1 2 278.356 0.125 20 30 CCEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481721298 893092872 /nfs/dbraw/zinc/09/28/72/893092872.db2.gz RBYLBYAHXHHILU-LBPRGKRZSA-N 1 2 278.356 0.125 20 30 CCEDLO C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001284088261 893185040 /nfs/dbraw/zinc/18/50/40/893185040.db2.gz IFUPAPGEPQPCOG-BETUJISGSA-N 1 2 288.351 0.450 20 30 CCEDLO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001481987783 893297904 /nfs/dbraw/zinc/29/79/04/893297904.db2.gz KXXDFQAAECLPML-LBPRGKRZSA-N 1 2 275.356 0.199 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001268688834 893485280 /nfs/dbraw/zinc/48/52/80/893485280.db2.gz MQWPFSOECJCCEU-UWVGGRQHSA-N 1 2 282.369 0.171 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCCC1 ZINC001482210729 893562335 /nfs/dbraw/zinc/56/23/35/893562335.db2.gz ZQGBWIGFXVHAAX-AWEZNQCLSA-N 1 2 296.411 0.932 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCCC1 ZINC001482210729 893562351 /nfs/dbraw/zinc/56/23/51/893562351.db2.gz ZQGBWIGFXVHAAX-AWEZNQCLSA-N 1 2 296.411 0.932 20 30 CCEDLO C#CC[NH2+][C@@H](CNC(=O)c1cncc2nc[nH]c21)C(C)C ZINC001482530529 894195928 /nfs/dbraw/zinc/19/59/28/894195928.db2.gz BROOTZBPECRLQS-LBPRGKRZSA-N 1 2 285.351 0.935 20 30 CCEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001482630656 894434169 /nfs/dbraw/zinc/43/41/69/894434169.db2.gz WPXYDYJUBJHHEZ-UHFFFAOYSA-N 1 2 260.341 0.924 20 30 CCEDLO C#CC[N@H+](C)CCN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001482630656 894434172 /nfs/dbraw/zinc/43/41/72/894434172.db2.gz WPXYDYJUBJHHEZ-UHFFFAOYSA-N 1 2 260.341 0.924 20 30 CCEDLO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001482732302 894533131 /nfs/dbraw/zinc/53/31/31/894533131.db2.gz MBVNWRQUJUDWNM-IUCAKERBSA-N 1 2 286.269 0.920 20 30 CCEDLO C=CCCC[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482732302 894533124 /nfs/dbraw/zinc/53/31/24/894533124.db2.gz MBVNWRQUJUDWNM-IUCAKERBSA-N 1 2 286.269 0.920 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001483123214 894960993 /nfs/dbraw/zinc/96/09/93/894960993.db2.gz UFXOZPJSNVYRBV-SNVBAGLBSA-N 1 2 266.370 0.936 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001483327215 895458878 /nfs/dbraw/zinc/45/88/78/895458878.db2.gz GHCPZGCCDDFGAW-LBPRGKRZSA-N 1 2 289.807 0.508 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001483327215 895458885 /nfs/dbraw/zinc/45/88/85/895458885.db2.gz GHCPZGCCDDFGAW-LBPRGKRZSA-N 1 2 289.807 0.508 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001483624408 895726709 /nfs/dbraw/zinc/72/67/09/895726709.db2.gz LQNNKQJNIJOMGU-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001483624408 895726715 /nfs/dbraw/zinc/72/67/15/895726715.db2.gz LQNNKQJNIJOMGU-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001483637722 895768216 /nfs/dbraw/zinc/76/82/16/895768216.db2.gz ATIFLYYFJIFXBE-OCCSQVGLSA-N 1 2 289.379 0.281 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001483637722 895768232 /nfs/dbraw/zinc/76/82/32/895768232.db2.gz ATIFLYYFJIFXBE-OCCSQVGLSA-N 1 2 289.379 0.281 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001483639506 895772892 /nfs/dbraw/zinc/77/28/92/895772892.db2.gz IROLZSMSOARBJH-CMPLNLGQSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001483639506 895772898 /nfs/dbraw/zinc/77/28/98/895772898.db2.gz IROLZSMSOARBJH-CMPLNLGQSA-N 1 2 261.329 0.270 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCCc1cn[nH]n1 ZINC001483668751 895825652 /nfs/dbraw/zinc/82/56/52/895825652.db2.gz ZJAVNXOPPRCLJK-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001483668751 895825626 /nfs/dbraw/zinc/82/56/26/895825626.db2.gz ZJAVNXOPPRCLJK-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001483668751 895825636 /nfs/dbraw/zinc/82/56/36/895825636.db2.gz ZJAVNXOPPRCLJK-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCCc1cn[nH]n1 ZINC001483668751 895825644 /nfs/dbraw/zinc/82/56/44/895825644.db2.gz ZJAVNXOPPRCLJK-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001483693178 895869342 /nfs/dbraw/zinc/86/93/42/895869342.db2.gz LABLGCIEQXZMIK-ZIAGYGMSSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001483693178 895869352 /nfs/dbraw/zinc/86/93/52/895869352.db2.gz LABLGCIEQXZMIK-ZIAGYGMSSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001483700144 895879203 /nfs/dbraw/zinc/87/92/03/895879203.db2.gz ANHRGQPCPAAJOV-LBPRGKRZSA-N 1 2 288.351 0.165 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001483700144 895879206 /nfs/dbraw/zinc/87/92/06/895879206.db2.gz ANHRGQPCPAAJOV-LBPRGKRZSA-N 1 2 288.351 0.165 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cn(CC)nn2)C1 ZINC001483884321 896093691 /nfs/dbraw/zinc/09/36/91/896093691.db2.gz JOCDULMRFOSJDY-UHFFFAOYSA-N 1 2 293.371 0.257 20 30 CCEDLO C=C(C)CCC(=O)NCC1(O)C[NH+](CCOCC)C1 ZINC001484275474 896304844 /nfs/dbraw/zinc/30/48/44/896304844.db2.gz AGVKVQXUYQGHSY-UHFFFAOYSA-N 1 2 270.373 0.542 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1COCC[N@H+]1CC ZINC001326630079 914063591 /nfs/dbraw/zinc/06/35/91/914063591.db2.gz YEDNZGKNEXDTSH-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001326630079 914063610 /nfs/dbraw/zinc/06/36/10/914063610.db2.gz YEDNZGKNEXDTSH-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001484588019 896483329 /nfs/dbraw/zinc/48/33/29/896483329.db2.gz BBPUSQNCODNOQY-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001484588019 896483335 /nfs/dbraw/zinc/48/33/35/896483335.db2.gz BBPUSQNCODNOQY-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCc1ccon1 ZINC001484597431 896486091 /nfs/dbraw/zinc/48/60/91/896486091.db2.gz OSKHIIYQMYLRMT-AWEZNQCLSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1ccon1 ZINC001484597431 896486100 /nfs/dbraw/zinc/48/61/00/896486100.db2.gz OSKHIIYQMYLRMT-AWEZNQCLSA-N 1 2 291.351 0.448 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001484709430 896560428 /nfs/dbraw/zinc/56/04/28/896560428.db2.gz HVSVZBPZWQXFPO-GFCCVEGCSA-N 1 2 292.387 0.647 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001484709430 896560441 /nfs/dbraw/zinc/56/04/41/896560441.db2.gz HVSVZBPZWQXFPO-GFCCVEGCSA-N 1 2 292.387 0.647 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](CC)OC)O2 ZINC001484783903 896601885 /nfs/dbraw/zinc/60/18/85/896601885.db2.gz XGLWSCXTAPUZBH-CHWSQXEVSA-N 1 2 282.384 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CO[C@H](C)CC)CO2 ZINC001484796256 896607289 /nfs/dbraw/zinc/60/72/89/896607289.db2.gz TVJMXBIVIRYDSZ-ZIAGYGMSSA-N 1 2 294.395 0.784 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H]1C ZINC001397245317 914114806 /nfs/dbraw/zinc/11/48/06/914114806.db2.gz ZXJZLLZMWCTLKY-ZJUUUORDSA-N 1 2 288.779 0.247 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H]1C ZINC001397245317 914114814 /nfs/dbraw/zinc/11/48/14/914114814.db2.gz ZXJZLLZMWCTLKY-ZJUUUORDSA-N 1 2 288.779 0.247 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001485403372 897033398 /nfs/dbraw/zinc/03/33/98/897033398.db2.gz FUSDLTMNDDOWMV-UHFFFAOYSA-N 1 2 288.351 0.629 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485414108 897045186 /nfs/dbraw/zinc/04/51/86/897045186.db2.gz CWBKRKNKXUZGNX-LBPRGKRZSA-N 1 2 270.373 0.134 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC001492859145 914127343 /nfs/dbraw/zinc/12/73/43/914127343.db2.gz BMGDZEHIZSFNHI-ZDUSSCGKSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC001492859145 914127354 /nfs/dbraw/zinc/12/73/54/914127354.db2.gz BMGDZEHIZSFNHI-ZDUSSCGKSA-N 1 2 297.399 0.153 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1cncc(C#N)n1 ZINC001107868909 897396885 /nfs/dbraw/zinc/39/68/85/897396885.db2.gz CEYLWIGQWPDKJY-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001107870121 897401211 /nfs/dbraw/zinc/40/12/11/897401211.db2.gz OOWTVTZGYATTMC-DOMZBBRYSA-N 1 2 296.367 0.333 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001107870121 897401218 /nfs/dbraw/zinc/40/12/18/897401218.db2.gz OOWTVTZGYATTMC-DOMZBBRYSA-N 1 2 296.367 0.333 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc(C)o1 ZINC001032388150 897404064 /nfs/dbraw/zinc/40/40/64/897404064.db2.gz FFJCHLKYLHKFNO-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc(C)o1 ZINC001032388150 897404070 /nfs/dbraw/zinc/40/40/70/897404070.db2.gz FFJCHLKYLHKFNO-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001107880057 897423382 /nfs/dbraw/zinc/42/33/82/897423382.db2.gz GLVWLIQOTOLBLR-CVEARBPZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001107880057 897423393 /nfs/dbraw/zinc/42/33/93/897423393.db2.gz GLVWLIQOTOLBLR-CVEARBPZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cncnc2)C1 ZINC001107904621 897479107 /nfs/dbraw/zinc/47/91/07/897479107.db2.gz CZKVLFUWJDAKEX-OAHLLOKOSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cncnc2)C1 ZINC001107904621 897479118 /nfs/dbraw/zinc/47/91/18/897479118.db2.gz CZKVLFUWJDAKEX-OAHLLOKOSA-N 1 2 290.367 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907387 897485796 /nfs/dbraw/zinc/48/57/96/897485796.db2.gz RJGYKUPKAGYXMZ-HNNXBMFYSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907387 897485805 /nfs/dbraw/zinc/48/58/05/897485805.db2.gz RJGYKUPKAGYXMZ-HNNXBMFYSA-N 1 2 282.384 0.378 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107914489 897494945 /nfs/dbraw/zinc/49/49/45/897494945.db2.gz PLWLNVVWARLWRW-TZMCWYRMSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107914489 897494953 /nfs/dbraw/zinc/49/49/53/897494953.db2.gz PLWLNVVWARLWRW-TZMCWYRMSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107929861 897511909 /nfs/dbraw/zinc/51/19/09/897511909.db2.gz AKCMLDRYWAHPOO-HNNXBMFYSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107929861 897511918 /nfs/dbraw/zinc/51/19/18/897511918.db2.gz AKCMLDRYWAHPOO-HNNXBMFYSA-N 1 2 262.353 0.793 20 30 CCEDLO C#CCOCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939989 897528686 /nfs/dbraw/zinc/52/86/86/897528686.db2.gz NFIXSQDQSANQRP-HNNXBMFYSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCOCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939989 897528695 /nfs/dbraw/zinc/52/86/95/897528695.db2.gz NFIXSQDQSANQRP-HNNXBMFYSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001032436872 897564902 /nfs/dbraw/zinc/56/49/02/897564902.db2.gz OGLVDUNSECUQDP-RYUDHWBXSA-N 1 2 268.332 0.976 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001032436872 897564911 /nfs/dbraw/zinc/56/49/11/897564911.db2.gz OGLVDUNSECUQDP-RYUDHWBXSA-N 1 2 268.332 0.976 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001032451655 897588957 /nfs/dbraw/zinc/58/89/57/897588957.db2.gz NKMJHGGNKDJYTJ-QWRGUYRKSA-N 1 2 296.330 0.800 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001032451655 897588962 /nfs/dbraw/zinc/58/89/62/897588962.db2.gz NKMJHGGNKDJYTJ-QWRGUYRKSA-N 1 2 296.330 0.800 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001032506572 897665640 /nfs/dbraw/zinc/66/56/40/897665640.db2.gz HQFDPBXBCNGQDD-KKUMJFAQSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001032506572 897665647 /nfs/dbraw/zinc/66/56/47/897665647.db2.gz HQFDPBXBCNGQDD-KKUMJFAQSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2c(c1)ncn2C ZINC001032560259 897744846 /nfs/dbraw/zinc/74/48/46/897744846.db2.gz TZVAKKGDOWVBTA-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2c(c1)ncn2C ZINC001032560259 897744853 /nfs/dbraw/zinc/74/48/53/897744853.db2.gz TZVAKKGDOWVBTA-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032584813 897777576 /nfs/dbraw/zinc/77/75/76/897777576.db2.gz LGCGGIVGIWFHIG-QWRGUYRKSA-N 1 2 261.350 0.983 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032584813 897777582 /nfs/dbraw/zinc/77/75/82/897777582.db2.gz LGCGGIVGIWFHIG-QWRGUYRKSA-N 1 2 261.350 0.983 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C(C)C ZINC001032603634 897811307 /nfs/dbraw/zinc/81/13/07/897811307.db2.gz GBDVWWLOZYMINZ-MELADBBJSA-N 1 2 264.369 0.966 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C(C)C ZINC001032603634 897811313 /nfs/dbraw/zinc/81/13/13/897811313.db2.gz GBDVWWLOZYMINZ-MELADBBJSA-N 1 2 264.369 0.966 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n[nH]1 ZINC001032621344 897837041 /nfs/dbraw/zinc/83/70/41/897837041.db2.gz XBPHEPSCZHNSDZ-IUCAKERBSA-N 1 2 280.278 0.879 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n[nH]1 ZINC001032621344 897837048 /nfs/dbraw/zinc/83/70/48/897837048.db2.gz XBPHEPSCZHNSDZ-IUCAKERBSA-N 1 2 280.278 0.879 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(Cl)cn1 ZINC001032655148 897901493 /nfs/dbraw/zinc/90/14/93/897901493.db2.gz PRLHJXJMKPZUTG-STQMWFEESA-N 1 2 292.770 0.845 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(Cl)cn1 ZINC001032655148 897901503 /nfs/dbraw/zinc/90/15/03/897901503.db2.gz PRLHJXJMKPZUTG-STQMWFEESA-N 1 2 292.770 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032692310 897938199 /nfs/dbraw/zinc/93/81/99/897938199.db2.gz BAVSOZBGYZMWAQ-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032692310 897938205 /nfs/dbraw/zinc/93/82/05/897938205.db2.gz BAVSOZBGYZMWAQ-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001077904120 898028163 /nfs/dbraw/zinc/02/81/63/898028163.db2.gz KCOUKYFKRARLFM-HUUCEWRRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001077904120 898028173 /nfs/dbraw/zinc/02/81/73/898028173.db2.gz KCOUKYFKRARLFM-HUUCEWRRSA-N 1 2 298.346 0.279 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C ZINC001038078780 898042676 /nfs/dbraw/zinc/04/26/76/898042676.db2.gz UWRBQZFMYRTSBW-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C ZINC001038078780 898042687 /nfs/dbraw/zinc/04/26/87/898042687.db2.gz UWRBQZFMYRTSBW-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001077951048 898101353 /nfs/dbraw/zinc/10/13/53/898101353.db2.gz XQLZCDRZSKSZCR-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001077951048 898101357 /nfs/dbraw/zinc/10/13/57/898101357.db2.gz XQLZCDRZSKSZCR-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](O)C1 ZINC001083796474 898134727 /nfs/dbraw/zinc/13/47/27/898134727.db2.gz FXTCUTPHTRISTI-KGLIPLIRSA-N 1 2 290.367 0.331 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](O)C1 ZINC001083796474 898134733 /nfs/dbraw/zinc/13/47/33/898134733.db2.gz FXTCUTPHTRISTI-KGLIPLIRSA-N 1 2 290.367 0.331 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001078134918 898259816 /nfs/dbraw/zinc/25/98/16/898259816.db2.gz MGBGXRPEADQTCV-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001487921088 900153243 /nfs/dbraw/zinc/15/32/43/900153243.db2.gz OGQQKECWKVEUIE-GFCCVEGCSA-N 1 2 290.367 0.719 20 30 CCEDLO CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001489243756 900452648 /nfs/dbraw/zinc/45/26/48/900452648.db2.gz YOSXZGCDWOUNJZ-MNOVXSKESA-N 1 2 266.345 0.005 20 30 CCEDLO CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001489243756 900452653 /nfs/dbraw/zinc/45/26/53/900452653.db2.gz YOSXZGCDWOUNJZ-MNOVXSKESA-N 1 2 266.345 0.005 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001489723249 900509297 /nfs/dbraw/zinc/50/92/97/900509297.db2.gz DRPOMLRSXSYBOC-CYBMUJFWSA-N 1 2 290.367 0.909 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001490424559 900623236 /nfs/dbraw/zinc/62/32/36/900623236.db2.gz DXHFRSHQMFEYHC-SNVBAGLBSA-N 1 2 260.284 0.482 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001490424559 900623229 /nfs/dbraw/zinc/62/32/29/900623229.db2.gz DXHFRSHQMFEYHC-SNVBAGLBSA-N 1 2 260.284 0.482 20 30 CCEDLO C/C(=C\C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CC1 ZINC001490484565 900637644 /nfs/dbraw/zinc/63/76/44/900637644.db2.gz JZIPXTGAFQRIDM-OUKQBFOZSA-N 1 2 276.384 0.600 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@@H](C)SC)CC1 ZINC001490487961 900641027 /nfs/dbraw/zinc/64/10/27/900641027.db2.gz RRSBLVPXUIFLJL-CYBMUJFWSA-N 1 2 283.441 0.495 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001490500208 900643372 /nfs/dbraw/zinc/64/33/72/900643372.db2.gz NEDLKKMXQYVUME-ZSHCYNCHSA-N 1 2 289.423 0.790 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001490552761 900661162 /nfs/dbraw/zinc/66/11/62/900661162.db2.gz FYUAFDYJPXQGNU-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001490552761 900661168 /nfs/dbraw/zinc/66/11/68/900661168.db2.gz FYUAFDYJPXQGNU-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001327315315 914476062 /nfs/dbraw/zinc/47/60/62/914476062.db2.gz PJBHCUPHZONLEY-UHFFFAOYSA-N 1 2 268.357 0.512 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001327387617 914516469 /nfs/dbraw/zinc/51/64/69/914516469.db2.gz PCZOGVDNTQGKPC-KBPBESRZSA-N 1 2 294.395 0.520 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327537598 914602387 /nfs/dbraw/zinc/60/23/87/914602387.db2.gz FQHXSFZLXBEGED-STQMWFEESA-N 1 2 253.346 0.322 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001398297417 914612597 /nfs/dbraw/zinc/61/25/97/914612597.db2.gz VYTIGCZBQATBJX-WCQYABFASA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001398297417 914612603 /nfs/dbraw/zinc/61/26/03/914612603.db2.gz VYTIGCZBQATBJX-WCQYABFASA-N 1 2 294.399 0.641 20 30 CCEDLO CCc1[nH]c(CNS(=O)(=O)CC(C)(C)C#N)c[nH+]1 ZINC001413460787 902963560 /nfs/dbraw/zinc/96/35/60/902963560.db2.gz OKMVXWPUGLDHRF-UHFFFAOYSA-N 1 2 270.358 0.941 20 30 CCEDLO CCc1[nH]cc(CNS(=O)(=O)CC(C)(C)C#N)[nH+]1 ZINC001413460787 902963567 /nfs/dbraw/zinc/96/35/67/902963567.db2.gz OKMVXWPUGLDHRF-UHFFFAOYSA-N 1 2 270.358 0.941 20 30 CCEDLO CC(C)C#CC(=O)NCCNC(=O)CCc1[nH+]ccn1C ZINC001491274975 903479744 /nfs/dbraw/zinc/47/97/44/903479744.db2.gz PHYFDMQSZIKIIA-UHFFFAOYSA-N 1 2 290.367 0.245 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCOCC)CCO2 ZINC001280891254 903998927 /nfs/dbraw/zinc/99/89/27/903998927.db2.gz LULPHPDMRLOXBE-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCOCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001280932790 904177652 /nfs/dbraw/zinc/17/76/52/904177652.db2.gz AJWIUPBNZFWOQR-CHWSQXEVSA-N 1 2 298.383 0.183 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)C[NH+](CC)C1 ZINC001282538062 904503906 /nfs/dbraw/zinc/50/39/06/904503906.db2.gz YSRRWUTVYVQKRO-NEPJUHHUSA-N 1 2 268.357 0.150 20 30 CCEDLO N#CCN1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681469 904519869 /nfs/dbraw/zinc/51/98/69/904519869.db2.gz IMEMRXVEWVVOJM-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001282713843 904528096 /nfs/dbraw/zinc/52/80/96/904528096.db2.gz AVDZHMXYGRUUMT-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO CC(C)[C@H](F)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282733920 904530542 /nfs/dbraw/zinc/53/05/42/904530542.db2.gz JXLWMGBIKIVTGG-GWCFXTLKSA-N 1 2 298.362 0.057 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001398796792 914842480 /nfs/dbraw/zinc/84/24/80/914842480.db2.gz LTPMPXNFEQQNAC-KKJSVHSVSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001398796792 914842496 /nfs/dbraw/zinc/84/24/96/914842496.db2.gz LTPMPXNFEQQNAC-KKJSVHSVSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNC(=O)[C@@H](C)C#N ZINC001283266440 904787485 /nfs/dbraw/zinc/78/74/85/904787485.db2.gz ZIFFYSBSEIXVJP-MNOVXSKESA-N 1 2 291.355 0.370 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNC(=O)[C@@H](C)C#N ZINC001283266440 904787505 /nfs/dbraw/zinc/78/75/05/904787505.db2.gz ZIFFYSBSEIXVJP-MNOVXSKESA-N 1 2 291.355 0.370 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283291464 904792849 /nfs/dbraw/zinc/79/28/49/904792849.db2.gz MRZLIZNNYWZSPG-OLZOCXBDSA-N 1 2 292.383 0.964 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C)CC(F)(F)C1 ZINC001337006124 921152258 /nfs/dbraw/zinc/15/22/58/921152258.db2.gz CSSCARPRNNPTMY-VIFPVBQESA-N 1 2 290.310 0.985 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)CS(=O)(=O)C(C)C)CC1 ZINC001284985108 905519352 /nfs/dbraw/zinc/51/93/52/905519352.db2.gz BWQXCHWREROSQY-UHFFFAOYSA-N 1 2 298.408 0.191 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)CS(=O)(=O)C(C)C)CC1 ZINC001284985108 905519362 /nfs/dbraw/zinc/51/93/62/905519362.db2.gz BWQXCHWREROSQY-UHFFFAOYSA-N 1 2 298.408 0.191 20 30 CCEDLO CC(C)C#CC(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001285366464 905608877 /nfs/dbraw/zinc/60/88/77/905608877.db2.gz SDCSAEHHHHGDPF-UHFFFAOYSA-N 1 2 290.367 0.528 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001295437632 906730162 /nfs/dbraw/zinc/73/01/62/906730162.db2.gz SOMACCOYWVDPEI-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001295548260 906755693 /nfs/dbraw/zinc/75/56/93/906755693.db2.gz IZKAYIHUEAZQRU-NWDGAFQWSA-N 1 2 294.355 0.095 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1nncn1C ZINC001380949916 907009152 /nfs/dbraw/zinc/00/91/52/907009152.db2.gz RODMEKGUQDNLPF-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1nncn1C ZINC001380949916 907009170 /nfs/dbraw/zinc/00/91/70/907009170.db2.gz RODMEKGUQDNLPF-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001381084359 907067846 /nfs/dbraw/zinc/06/78/46/907067846.db2.gz SPDBLGRMLFMBCT-NWDGAFQWSA-N 1 2 288.355 0.069 20 30 CCEDLO N#C[C@H](CO)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001297880164 907123780 /nfs/dbraw/zinc/12/37/80/907123780.db2.gz JSHDVZBLQIDYTD-CQSZACIVSA-N 1 2 299.334 0.609 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001298581853 907280854 /nfs/dbraw/zinc/28/08/54/907280854.db2.gz NQCGSYOTOONAQO-ZDUSSCGKSA-N 1 2 269.304 0.525 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001298895151 907351550 /nfs/dbraw/zinc/35/15/50/907351550.db2.gz IFGGPGRAWKPNDQ-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nc1OC ZINC001492366103 907874019 /nfs/dbraw/zinc/87/40/19/907874019.db2.gz QLGWBDNBJUGXRF-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nc1OC ZINC001492366103 907874034 /nfs/dbraw/zinc/87/40/34/907874034.db2.gz QLGWBDNBJUGXRF-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO C[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001492394596 907898568 /nfs/dbraw/zinc/89/85/68/907898568.db2.gz QJSUCQYMKIJZEK-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001492394596 907898578 /nfs/dbraw/zinc/89/85/78/907898578.db2.gz QJSUCQYMKIJZEK-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO CN(CC#N)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001316838440 908166214 /nfs/dbraw/zinc/16/62/14/908166214.db2.gz LDQUBXPYCNCKRH-UHFFFAOYSA-N 1 2 271.324 0.910 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001316975394 908710862 /nfs/dbraw/zinc/71/08/62/908710862.db2.gz YLSWJBGXKWYBHH-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001316975394 908710878 /nfs/dbraw/zinc/71/08/78/908710878.db2.gz YLSWJBGXKWYBHH-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO CC(F)(F)CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316965438 908872306 /nfs/dbraw/zinc/87/23/06/908872306.db2.gz ZVKWABZIYIIVFA-UHFFFAOYSA-N 1 2 288.342 0.679 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001338418450 921461389 /nfs/dbraw/zinc/46/13/89/921461389.db2.gz BFLFDTOHPHMLRZ-NEPJUHHUSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001338418450 921461396 /nfs/dbraw/zinc/46/13/96/921461396.db2.gz BFLFDTOHPHMLRZ-NEPJUHHUSA-N 1 2 295.387 0.191 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCCN(CC#N)C1 ZINC001317203908 909039542 /nfs/dbraw/zinc/03/95/42/909039542.db2.gz KIQSNHJNAQVQEI-CHWSQXEVSA-N 1 2 289.383 0.703 20 30 CCEDLO CCN(C(=O)C[N@H+](C)CCNC(=O)C#CC1CC1)C1CC1 ZINC001317448522 909222476 /nfs/dbraw/zinc/22/24/76/909222476.db2.gz VRYSJTSMVJCORS-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO CCN(C(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1)C1CC1 ZINC001317448522 909222488 /nfs/dbraw/zinc/22/24/88/909222488.db2.gz VRYSJTSMVJCORS-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001317457894 909234194 /nfs/dbraw/zinc/23/41/94/909234194.db2.gz GHQPEGAJJADRFQ-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001317457894 909234207 /nfs/dbraw/zinc/23/42/07/909234207.db2.gz GHQPEGAJJADRFQ-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C2=COCCC2)CC1 ZINC001317816416 909509539 /nfs/dbraw/zinc/50/95/39/909509539.db2.gz DZEVYXWMCAUWHE-UHFFFAOYSA-N 1 2 293.411 0.943 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001317998589 909567834 /nfs/dbraw/zinc/56/78/34/909567834.db2.gz MFHPQQSGTCATNP-NEPJUHHUSA-N 1 2 297.380 0.646 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001318108288 909622787 /nfs/dbraw/zinc/62/27/87/909622787.db2.gz SCXWJLHIDRHDIV-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001318198427 909664721 /nfs/dbraw/zinc/66/47/21/909664721.db2.gz SXWIRJKPIMVPLR-HOTGVXAUSA-N 1 2 299.374 0.907 20 30 CCEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001318198427 909664735 /nfs/dbraw/zinc/66/47/35/909664735.db2.gz SXWIRJKPIMVPLR-HOTGVXAUSA-N 1 2 299.374 0.907 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001318275630 909686796 /nfs/dbraw/zinc/68/67/96/909686796.db2.gz CBWLMCVVQJVAEJ-JSGCOSHPSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001318275630 909686804 /nfs/dbraw/zinc/68/68/04/909686804.db2.gz CBWLMCVVQJVAEJ-JSGCOSHPSA-N 1 2 297.399 0.150 20 30 CCEDLO COCC1(O)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC001319530093 910190818 /nfs/dbraw/zinc/19/08/18/910190818.db2.gz UQBLBMDYTZYYTG-GFCCVEGCSA-N 1 2 251.330 0.903 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1conc1C ZINC001320042667 910434572 /nfs/dbraw/zinc/43/45/72/910434572.db2.gz NUYYXJJDSDQHFZ-UHFFFAOYSA-N 1 2 294.355 0.289 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1conc1C ZINC001320042667 910434588 /nfs/dbraw/zinc/43/45/88/910434588.db2.gz NUYYXJJDSDQHFZ-UHFFFAOYSA-N 1 2 294.355 0.289 20 30 CCEDLO Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001320998227 910998528 /nfs/dbraw/zinc/99/85/28/910998528.db2.gz NHLPNRNFOLGSHF-FSIBCCDJSA-N 1 2 262.313 0.905 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001321512463 911339205 /nfs/dbraw/zinc/33/92/05/911339205.db2.gz YOVRCHRUFQDZIB-SNVBAGLBSA-N 1 2 264.329 0.632 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001321513722 911340184 /nfs/dbraw/zinc/34/01/84/911340184.db2.gz GJMHZWCHYQDQEA-MNOVXSKESA-N 1 2 294.355 0.573 20 30 CCEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCOCC1 ZINC001339209764 921682378 /nfs/dbraw/zinc/68/23/78/921682378.db2.gz DRCQOUQTLQELKR-UHFFFAOYSA-N 1 2 288.355 0.625 20 30 CCEDLO N#CCC1(O)C[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC001322248787 911726395 /nfs/dbraw/zinc/72/63/95/911726395.db2.gz UEUISXYCLBKBSC-UHFFFAOYSA-N 1 2 266.341 0.880 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)COC ZINC001323198950 912177323 /nfs/dbraw/zinc/17/73/23/912177323.db2.gz MCSQXYATZVDGNH-QWHCGFSZSA-N 1 2 268.357 0.109 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)COC ZINC001323198950 912177330 /nfs/dbraw/zinc/17/73/30/912177330.db2.gz MCSQXYATZVDGNH-QWHCGFSZSA-N 1 2 268.357 0.109 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(C(F)F)no1 ZINC001398873081 914902318 /nfs/dbraw/zinc/90/23/18/914902318.db2.gz HARVSOXQYJPKMS-BQBZGAKWSA-N 1 2 287.270 0.761 20 30 CCEDLO C=CCO[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC001329158912 915715609 /nfs/dbraw/zinc/71/56/09/915715609.db2.gz WSUZDUKUTXGCBL-VIFPVBQESA-N 1 2 250.302 0.849 20 30 CCEDLO C=CCO[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC001329158912 915715618 /nfs/dbraw/zinc/71/56/18/915715618.db2.gz WSUZDUKUTXGCBL-VIFPVBQESA-N 1 2 250.302 0.849 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001400479743 915769092 /nfs/dbraw/zinc/76/90/92/915769092.db2.gz ITIRNIRVDWHJKP-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CCOCC(=O)NC1(CCO)C[NH+](CC=C(C)C)C1 ZINC001329642524 916093410 /nfs/dbraw/zinc/09/34/10/916093410.db2.gz VAZWEEOBHPCFKH-UHFFFAOYSA-N 1 2 282.384 0.708 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001329683254 916122776 /nfs/dbraw/zinc/12/27/76/916122776.db2.gz ZGKQQIOTDOFVLV-GFCCVEGCSA-N 1 2 284.400 0.523 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2ncccc2F)C1 ZINC001329706147 916138711 /nfs/dbraw/zinc/13/87/11/916138711.db2.gz VUEKANWSPXAEPL-UHFFFAOYSA-N 1 2 293.342 0.963 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001329705001 916139282 /nfs/dbraw/zinc/13/92/82/916139282.db2.gz ICDOPCKHNZNXMJ-UONOGXRCSA-N 1 2 278.396 0.999 20 30 CCEDLO C=CCC(C)(C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001329705834 916139554 /nfs/dbraw/zinc/13/95/54/916139554.db2.gz RJLACQHUSLYMTC-LBPRGKRZSA-N 1 2 284.400 0.523 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)c1C ZINC001401363594 916200177 /nfs/dbraw/zinc/20/01/77/916200177.db2.gz QRUKPKHDSBUMDM-UHFFFAOYSA-N 1 2 285.779 0.880 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nnn(C)c1C ZINC001401363594 916200197 /nfs/dbraw/zinc/20/01/97/916200197.db2.gz QRUKPKHDSBUMDM-UHFFFAOYSA-N 1 2 285.779 0.880 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC001330582234 916716097 /nfs/dbraw/zinc/71/60/97/916716097.db2.gz PIYDJVAYVQGJCK-MFKMUULPSA-N 1 2 260.297 0.244 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC001330867191 916932367 /nfs/dbraw/zinc/93/23/67/916932367.db2.gz JYJYOQSBQWKSNP-GFCCVEGCSA-N 1 2 269.341 0.679 20 30 CCEDLO C#CCOCC[N@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC001330867191 916932382 /nfs/dbraw/zinc/93/23/82/916932382.db2.gz JYJYOQSBQWKSNP-GFCCVEGCSA-N 1 2 269.341 0.679 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001330935369 916978123 /nfs/dbraw/zinc/97/81/23/916978123.db2.gz YUZYRNWBWWGWKB-CYBMUJFWSA-N 1 2 264.300 0.847 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001402643571 917148251 /nfs/dbraw/zinc/14/82/51/917148251.db2.gz ZLASAAOJOGAWKP-SNVBAGLBSA-N 1 2 278.360 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001402643571 917148258 /nfs/dbraw/zinc/14/82/58/917148258.db2.gz ZLASAAOJOGAWKP-SNVBAGLBSA-N 1 2 278.360 0.553 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001402660984 917159839 /nfs/dbraw/zinc/15/98/39/917159839.db2.gz FWFIMRXYBGFDQE-JQWIXIFHSA-N 1 2 290.371 0.601 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001402660984 917159847 /nfs/dbraw/zinc/15/98/47/917159847.db2.gz FWFIMRXYBGFDQE-JQWIXIFHSA-N 1 2 290.371 0.601 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC001402791397 917225728 /nfs/dbraw/zinc/22/57/28/917225728.db2.gz CYYINMPFSSZBNJ-JQWIXIFHSA-N 1 2 291.355 0.946 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC001402791397 917225746 /nfs/dbraw/zinc/22/57/46/917225746.db2.gz CYYINMPFSSZBNJ-JQWIXIFHSA-N 1 2 291.355 0.946 20 30 CCEDLO C=C[C@H](COC)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001331695120 917519365 /nfs/dbraw/zinc/51/93/65/917519365.db2.gz IOAWNRGFRCOUAN-CYBMUJFWSA-N 1 2 291.351 0.632 20 30 CCEDLO C=C(Cl)CN1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403235308 917607766 /nfs/dbraw/zinc/60/77/66/917607766.db2.gz CXKABZQXKZQHAA-UHFFFAOYSA-N 1 2 298.774 0.258 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001404264000 918265210 /nfs/dbraw/zinc/26/52/10/918265210.db2.gz YEDLDEKUNOTJAX-NEPJUHHUSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001404264000 918265227 /nfs/dbraw/zinc/26/52/27/918265227.db2.gz YEDLDEKUNOTJAX-NEPJUHHUSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C[C@H](COC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001332557935 918275983 /nfs/dbraw/zinc/27/59/83/918275983.db2.gz ITACCXRKVCXERJ-KIWPFMIBSA-N 1 2 268.357 0.582 20 30 CCEDLO CC#CC[N@H+](C)CCN(C(=O)CCc1nc[nH]n1)C(C)C ZINC001332692931 918387214 /nfs/dbraw/zinc/38/72/14/918387214.db2.gz GPZNJXYWBZKVOM-UHFFFAOYSA-N 1 2 291.399 0.929 20 30 CCEDLO CC#CC[N@@H+](C)CCN(C(=O)CCc1nc[nH]n1)C(C)C ZINC001332692931 918387236 /nfs/dbraw/zinc/38/72/36/918387236.db2.gz GPZNJXYWBZKVOM-UHFFFAOYSA-N 1 2 291.399 0.929 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001404989061 918550883 /nfs/dbraw/zinc/55/08/83/918550883.db2.gz QOYWEXGGXVQEQB-AAEUAGOBSA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001404989061 918550899 /nfs/dbraw/zinc/55/08/99/918550899.db2.gz QOYWEXGGXVQEQB-AAEUAGOBSA-N 1 2 288.351 0.940 20 30 CCEDLO COCC#CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001334372647 919530624 /nfs/dbraw/zinc/53/06/24/919530624.db2.gz LJCKWBQOMQLHBZ-UHFFFAOYSA-N 1 2 274.324 0.083 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001335076812 919938071 /nfs/dbraw/zinc/93/80/71/919938071.db2.gz ILBUILNSIBWALQ-NEPJUHHUSA-N 1 2 294.355 0.041 20 30 CCEDLO COc1nccc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)n1 ZINC001418449050 922129199 /nfs/dbraw/zinc/12/91/99/922129199.db2.gz QDTQOJVWCHCCCY-SNVBAGLBSA-N 1 2 277.328 0.193 20 30 CCEDLO COc1nccc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)n1 ZINC001418449050 922129209 /nfs/dbraw/zinc/12/92/09/922129209.db2.gz QDTQOJVWCHCCCY-SNVBAGLBSA-N 1 2 277.328 0.193 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH+]1CCN(C/C=C/Cl)CC1 ZINC001419123863 922645219 /nfs/dbraw/zinc/64/52/19/922645219.db2.gz BETHPUZGOIGSGX-JDGPPOGSSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](C/C=C/Cl)CC1 ZINC001419123863 922645224 /nfs/dbraw/zinc/64/52/24/922645224.db2.gz BETHPUZGOIGSGX-JDGPPOGSSA-N 1 2 284.791 0.632 20 30 CCEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001341780276 922673600 /nfs/dbraw/zinc/67/36/00/922673600.db2.gz NZCDWTAKNWSALJ-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001419460788 922852354 /nfs/dbraw/zinc/85/23/54/922852354.db2.gz KDCITOKDXJSUBS-IEBDPFPHSA-N 1 2 289.339 0.843 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)C[C@@H](C)N1CC#N ZINC001350330492 925172601 /nfs/dbraw/zinc/17/26/01/925172601.db2.gz WKDYNNIIJMGUML-CHWSQXEVSA-N 1 2 290.415 0.904 20 30 CCEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC001354101726 926016858 /nfs/dbraw/zinc/01/68/58/926016858.db2.gz FCEAWOZOANYLLP-UHFFFAOYSA-N 1 2 297.358 0.913 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356786749 926438940 /nfs/dbraw/zinc/43/89/40/926438940.db2.gz DAVUTDIEGJWJNG-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC001356882762 926458199 /nfs/dbraw/zinc/45/81/99/926458199.db2.gz ZBIIYFWNOOZEGL-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001421315663 926667376 /nfs/dbraw/zinc/66/73/76/926667376.db2.gz XOVSBFUPILIZOS-VXGBXAGGSA-N 1 2 290.791 0.933 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001421315663 926667382 /nfs/dbraw/zinc/66/73/82/926667382.db2.gz XOVSBFUPILIZOS-VXGBXAGGSA-N 1 2 290.791 0.933 20 30 CCEDLO C#CCCCC(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001358727735 926805422 /nfs/dbraw/zinc/80/54/22/926805422.db2.gz VAWYHPPSECNTJQ-UHFFFAOYSA-N 1 2 288.351 0.425 20 30 CCEDLO C=C(Br)C[NH+]1CCC(CO)(NC(C)=O)CC1 ZINC001422185694 927134546 /nfs/dbraw/zinc/13/45/46/927134546.db2.gz UFPADQVQCKGJGK-UHFFFAOYSA-N 1 2 291.189 0.858 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](CC2CC(F)(F)C2)C1 ZINC001423830744 927997524 /nfs/dbraw/zinc/99/75/24/927997524.db2.gz SVKFTNUHIABSQE-SECBINFHSA-N 1 2 287.310 0.354 20 30 CCEDLO CC(C)N(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H](C)C#N ZINC001426106759 928763689 /nfs/dbraw/zinc/76/36/89/928763689.db2.gz UTBGSIQFFTVRQJ-LBPRGKRZSA-N 1 2 292.387 0.644 20 30 CCEDLO CC(C)N(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H](C)C#N ZINC001426106759 928763697 /nfs/dbraw/zinc/76/36/97/928763697.db2.gz UTBGSIQFFTVRQJ-LBPRGKRZSA-N 1 2 292.387 0.644 20 30 CCEDLO N#CC1(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CCOCC1 ZINC001363040781 928793967 /nfs/dbraw/zinc/79/39/67/928793967.db2.gz UBDIKCXEWDYZDE-RYUDHWBXSA-N 1 2 281.331 0.561 20 30 CCEDLO N#CC1(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CCOCC1 ZINC001363040781 928793980 /nfs/dbraw/zinc/79/39/80/928793980.db2.gz UBDIKCXEWDYZDE-RYUDHWBXSA-N 1 2 281.331 0.561 20 30 CCEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H]2C[C@@H]2C#N)cn1 ZINC001363180126 928951978 /nfs/dbraw/zinc/95/19/78/928951978.db2.gz NDPCJERMZSGVRN-ZIAGYGMSSA-N 1 2 298.350 0.805 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001363283871 929073043 /nfs/dbraw/zinc/07/30/43/929073043.db2.gz UBHXASJUINPANK-AWEZNQCLSA-N 1 2 299.334 0.413 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001363283871 929073047 /nfs/dbraw/zinc/07/30/47/929073047.db2.gz UBHXASJUINPANK-AWEZNQCLSA-N 1 2 299.334 0.413 20 30 CCEDLO C[N@H+](CCn1cnnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001363819089 929608606 /nfs/dbraw/zinc/60/86/06/929608606.db2.gz XDZSCIGHHPDMFL-ZDUSSCGKSA-N 1 2 284.323 0.308 20 30 CCEDLO C[N@@H+](CCn1cnnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001363819089 929608616 /nfs/dbraw/zinc/60/86/16/929608616.db2.gz XDZSCIGHHPDMFL-ZDUSSCGKSA-N 1 2 284.323 0.308 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001443679482 929672722 /nfs/dbraw/zinc/67/27/22/929672722.db2.gz ZCSWWXMMYNRVGI-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001372273204 929788155 /nfs/dbraw/zinc/78/81/55/929788155.db2.gz QCEGNTJKGJLAGU-UHFFFAOYSA-N 1 2 284.747 0.986 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001372273204 929788162 /nfs/dbraw/zinc/78/81/62/929788162.db2.gz QCEGNTJKGJLAGU-UHFFFAOYSA-N 1 2 284.747 0.986 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001373307558 930135521 /nfs/dbraw/zinc/13/55/21/930135521.db2.gz IBBPXJNURFOFLF-GHMZBOCLSA-N 1 2 291.355 0.133 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001446152684 930352212 /nfs/dbraw/zinc/35/22/12/930352212.db2.gz FJFXICMDSSJMJE-UMNHJUIQSA-N 1 2 289.339 0.217 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001446157700 930354929 /nfs/dbraw/zinc/35/49/29/930354929.db2.gz GYJKCUSNAZVXQR-DTWKUNHWSA-N 1 2 277.328 0.837 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001446833246 930496689 /nfs/dbraw/zinc/49/66/89/930496689.db2.gz STEXGKUWXVXXEK-VXGBXAGGSA-N 1 2 295.383 0.124 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001376574762 931184250 /nfs/dbraw/zinc/18/42/50/931184250.db2.gz NBWPWKWLTCCHHQ-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001376574762 931184254 /nfs/dbraw/zinc/18/42/54/931184254.db2.gz NBWPWKWLTCCHHQ-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588727306 983975756 /nfs/dbraw/zinc/97/57/56/983975756.db2.gz BKRQMEKLQQHYDY-OLZOCXBDSA-N 1 2 295.383 0.430 20 30 CCEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588727306 983975764 /nfs/dbraw/zinc/97/57/64/983975764.db2.gz BKRQMEKLQQHYDY-OLZOCXBDSA-N 1 2 295.383 0.430 20 30 CCEDLO C[C@H]1OCC[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000092369091 349491632 /nfs/dbraw/zinc/49/16/32/349491632.db2.gz URYYPFKDSSOQGA-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO CC#CCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599591882 361754966 /nfs/dbraw/zinc/75/49/66/361754966.db2.gz SJCISFXHJXYHLD-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599591882 361754967 /nfs/dbraw/zinc/75/49/67/361754967.db2.gz SJCISFXHJXYHLD-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599589451 361754973 /nfs/dbraw/zinc/75/49/73/361754973.db2.gz ZFKNNYMGKJAKBC-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599589451 361754975 /nfs/dbraw/zinc/75/49/75/361754975.db2.gz ZFKNNYMGKJAKBC-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599643911 361768915 /nfs/dbraw/zinc/76/89/15/361768915.db2.gz WPPHBHXGEMAUIK-VXGBXAGGSA-N 1 2 271.336 0.807 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CCF)C1 ZINC000599643911 361768920 /nfs/dbraw/zinc/76/89/20/361768920.db2.gz WPPHBHXGEMAUIK-VXGBXAGGSA-N 1 2 271.336 0.807 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599695394 361790978 /nfs/dbraw/zinc/79/09/78/361790978.db2.gz YANHYMGBNMJDBL-CQSZACIVSA-N 1 2 283.372 0.486 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599695394 361790983 /nfs/dbraw/zinc/79/09/83/361790983.db2.gz YANHYMGBNMJDBL-CQSZACIVSA-N 1 2 283.372 0.486 20 30 CCEDLO Cc1nsc(NC(=O)NC[C@@H]2COCC[N@H+]2C)c1C#N ZINC000599786441 361814593 /nfs/dbraw/zinc/81/45/93/361814593.db2.gz LJYOLXGXVBIRJL-SECBINFHSA-N 1 2 295.368 0.775 20 30 CCEDLO Cc1nsc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)c1C#N ZINC000599786441 361814598 /nfs/dbraw/zinc/81/45/98/361814598.db2.gz LJYOLXGXVBIRJL-SECBINFHSA-N 1 2 295.368 0.775 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000599796978 361815964 /nfs/dbraw/zinc/81/59/64/361815964.db2.gz CXPYKLNWCPBXNP-NSHDSACASA-N 1 2 275.312 0.405 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000599796978 361815968 /nfs/dbraw/zinc/81/59/68/361815968.db2.gz CXPYKLNWCPBXNP-NSHDSACASA-N 1 2 275.312 0.405 20 30 CCEDLO N#Cc1ccncc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000094132247 349561313 /nfs/dbraw/zinc/56/13/13/349561313.db2.gz KKSWFAHXOBKPHX-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000600417794 361954940 /nfs/dbraw/zinc/95/49/40/361954940.db2.gz BJKNCVWVBXEINF-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000600417794 361954943 /nfs/dbraw/zinc/95/49/43/361954943.db2.gz BJKNCVWVBXEINF-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682904 362032970 /nfs/dbraw/zinc/03/29/70/362032970.db2.gz OQDJKYVBCMELRO-GXTWGEPZSA-N 1 2 288.351 0.558 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682904 362032973 /nfs/dbraw/zinc/03/29/73/362032973.db2.gz OQDJKYVBCMELRO-GXTWGEPZSA-N 1 2 288.351 0.558 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](CC(=O)OCC)C(C)=O)nn1 ZINC000600976418 362111078 /nfs/dbraw/zinc/11/10/78/362111078.db2.gz SIWYTTTYSZRMND-ZDUSSCGKSA-N 1 2 292.339 0.474 20 30 CCEDLO Cc1cc(NCCCc2c[nH][nH]c2=O)c(C#N)c[nH+]1 ZINC000601195358 362173350 /nfs/dbraw/zinc/17/33/50/362173350.db2.gz LJTSPGMQSWIWGI-JTQLQIEISA-N 1 2 257.297 0.608 20 30 CCEDLO COc1c(N)[nH+]cnc1N1CCN(CCC#N)CC1 ZINC000601261863 362193963 /nfs/dbraw/zinc/19/39/63/362193963.db2.gz PHIUGWNBBQMHLR-UHFFFAOYSA-N 1 2 262.317 0.103 20 30 CCEDLO NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948553 581328088 /nfs/dbraw/zinc/32/80/88/581328088.db2.gz KYQMCICNBZVSBY-UHFFFAOYSA-N 1 2 272.102 0.571 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(F)(C#N)CC2)C1 ZINC000344780084 529789263 /nfs/dbraw/zinc/78/92/63/529789263.db2.gz VDSRPFNTHKVGFN-LLVKDONJSA-N 1 2 284.335 0.354 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(F)(C#N)CC2)C1 ZINC000344780084 529789264 /nfs/dbraw/zinc/78/92/64/529789264.db2.gz VDSRPFNTHKVGFN-LLVKDONJSA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000115371626 349853684 /nfs/dbraw/zinc/85/36/84/349853684.db2.gz UFAFEIITZUCNPA-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000601782025 362390996 /nfs/dbraw/zinc/39/09/96/362390996.db2.gz MZTXCGXRDMFKRT-JTQLQIEISA-N 1 2 251.286 0.507 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601806960 362397819 /nfs/dbraw/zinc/39/78/19/362397819.db2.gz GYSIBWKGAMCZRG-OLZOCXBDSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601806960 362397827 /nfs/dbraw/zinc/39/78/27/362397827.db2.gz GYSIBWKGAMCZRG-OLZOCXBDSA-N 1 2 294.399 0.593 20 30 CCEDLO CN(CCC#N)C[C@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000601961820 362439218 /nfs/dbraw/zinc/43/92/18/362439218.db2.gz AGHMXPLNGQUIHX-LBPRGKRZSA-N 1 2 253.346 0.058 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC2(C1)CCCO2 ZINC000601961820 362439220 /nfs/dbraw/zinc/43/92/20/362439220.db2.gz AGHMXPLNGQUIHX-LBPRGKRZSA-N 1 2 253.346 0.058 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC2(C1)CCCO2 ZINC000601961820 362439222 /nfs/dbraw/zinc/43/92/22/362439222.db2.gz AGHMXPLNGQUIHX-LBPRGKRZSA-N 1 2 253.346 0.058 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000329012158 530046633 /nfs/dbraw/zinc/04/66/33/530046633.db2.gz INCYGPWKMRIMAV-TUAOUCFPSA-N 1 2 296.371 0.424 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000329012158 530046634 /nfs/dbraw/zinc/04/66/34/530046634.db2.gz INCYGPWKMRIMAV-TUAOUCFPSA-N 1 2 296.371 0.424 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CCSC[C@H]2C#N)[nH+]1 ZINC000602133054 362512839 /nfs/dbraw/zinc/51/28/39/362512839.db2.gz OHNVYJQCXCJJPK-SNVBAGLBSA-N 1 2 264.354 0.982 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C#N)CO)cc1 ZINC000602158206 362533037 /nfs/dbraw/zinc/53/30/37/362533037.db2.gz KZVUXNQYCUHBMU-GXTWGEPZSA-N 1 2 289.335 0.270 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C#N)CO)cc1 ZINC000602158206 362533044 /nfs/dbraw/zinc/53/30/44/362533044.db2.gz KZVUXNQYCUHBMU-GXTWGEPZSA-N 1 2 289.335 0.270 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)C(=O)N=c1[nH][nH]cc1C#N ZINC000602162539 362536278 /nfs/dbraw/zinc/53/62/78/362536278.db2.gz CNUVZZZSBMSZGK-UHFFFAOYSA-N 1 2 277.328 0.000 20 30 CCEDLO N#C[C@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCO1 ZINC000602463613 362630970 /nfs/dbraw/zinc/63/09/70/362630970.db2.gz ILIHCBQLSIUBQB-NSHDSACASA-N 1 2 261.281 0.577 20 30 CCEDLO N#Cc1cccc(CS(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000119618962 349944421 /nfs/dbraw/zinc/94/44/21/349944421.db2.gz AGGUAMXRWMFJFK-UHFFFAOYSA-N 1 2 290.348 0.874 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000602694408 362752802 /nfs/dbraw/zinc/75/28/02/362752802.db2.gz REYJCCQMHSTQSP-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000602694408 362752805 /nfs/dbraw/zinc/75/28/05/362752805.db2.gz REYJCCQMHSTQSP-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000602696936 362757303 /nfs/dbraw/zinc/75/73/03/362757303.db2.gz MSTHTTPPJMIWJR-CQSZACIVSA-N 1 2 275.308 0.703 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000602696936 362757307 /nfs/dbraw/zinc/75/73/07/362757307.db2.gz MSTHTTPPJMIWJR-CQSZACIVSA-N 1 2 275.308 0.703 20 30 CCEDLO C[N@@H+]1CCN(Cc2nc(C#N)cs2)[C@H](CO)C1 ZINC000602717447 362769037 /nfs/dbraw/zinc/76/90/37/362769037.db2.gz ZFHQMMHKDJCHOI-JTQLQIEISA-N 1 2 252.343 0.123 20 30 CCEDLO C[N@H+]1CCN(Cc2nc(C#N)cs2)[C@H](CO)C1 ZINC000602717447 362769045 /nfs/dbraw/zinc/76/90/45/362769045.db2.gz ZFHQMMHKDJCHOI-JTQLQIEISA-N 1 2 252.343 0.123 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)n1C ZINC000602748908 362782221 /nfs/dbraw/zinc/78/22/21/362782221.db2.gz WEXSMLUWFNBNOA-UHFFFAOYSA-N 1 2 290.367 0.843 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000602764329 362788720 /nfs/dbraw/zinc/78/87/20/362788720.db2.gz QGKLKHUEWQJMCF-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO COCC[N@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602798475 362806866 /nfs/dbraw/zinc/80/68/66/362806866.db2.gz ZLXGOGFKCGEDBO-LBPRGKRZSA-N 1 2 286.397 0.816 20 30 CCEDLO COCC[N@@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602798475 362806870 /nfs/dbraw/zinc/80/68/70/362806870.db2.gz ZLXGOGFKCGEDBO-LBPRGKRZSA-N 1 2 286.397 0.816 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602850535 362837735 /nfs/dbraw/zinc/83/77/35/362837735.db2.gz XAEGVOPHEYYLEE-JHJVBQTASA-N 1 2 294.399 0.688 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602850535 362837743 /nfs/dbraw/zinc/83/77/43/362837743.db2.gz XAEGVOPHEYYLEE-JHJVBQTASA-N 1 2 294.399 0.688 20 30 CCEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)n(C)n1 ZINC000340623131 137085842 /nfs/dbraw/zinc/08/58/42/137085842.db2.gz RYRDGQHXTYOITI-AWEZNQCLSA-N 1 2 283.335 0.916 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602868229 362850697 /nfs/dbraw/zinc/85/06/97/362850697.db2.gz IIHHRYUQQUKIDY-ZIAGYGMSSA-N 1 2 291.399 0.571 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000023266466 348084167 /nfs/dbraw/zinc/08/41/67/348084167.db2.gz VVNSIOMVVQTESC-UHFFFAOYSA-N 1 2 298.390 0.978 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000344659405 137206126 /nfs/dbraw/zinc/20/61/26/137206126.db2.gz BDRRMONUMRMFFU-UHFFFAOYSA-N 1 2 266.282 0.363 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423061 348090020 /nfs/dbraw/zinc/09/00/20/348090020.db2.gz NDVQUYHAPLZLIV-AWEZNQCLSA-N 1 2 271.364 0.947 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000026448818 348094925 /nfs/dbraw/zinc/09/49/25/348094925.db2.gz ZADRCGLPVSNNAI-UHFFFAOYSA-N 1 2 295.339 0.740 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000026448818 348094928 /nfs/dbraw/zinc/09/49/28/348094928.db2.gz ZADRCGLPVSNNAI-UHFFFAOYSA-N 1 2 295.339 0.740 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)CC#N)C(C)C ZINC000602870142 362853114 /nfs/dbraw/zinc/85/31/14/362853114.db2.gz LNZLSOMHZCNYOS-KOLCDFICSA-N 1 2 255.318 0.192 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000042246296 348271665 /nfs/dbraw/zinc/27/16/65/348271665.db2.gz ZZHGWUSIPNMANT-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000042267074 348272047 /nfs/dbraw/zinc/27/20/47/348272047.db2.gz JKQNRLFDEJJUHM-CYBMUJFWSA-N 1 2 259.309 0.953 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000042267074 348272050 /nfs/dbraw/zinc/27/20/50/348272050.db2.gz JKQNRLFDEJJUHM-CYBMUJFWSA-N 1 2 259.309 0.953 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042294763 348272802 /nfs/dbraw/zinc/27/28/02/348272802.db2.gz SHKFHGJGZIAAJY-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042294763 348272808 /nfs/dbraw/zinc/27/28/08/348272808.db2.gz SHKFHGJGZIAAJY-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO COCCN(C)c1ccc(CNc2n[nH]cc2C#N)c[nH+]1 ZINC000346670228 137298179 /nfs/dbraw/zinc/29/81/79/137298179.db2.gz XJIKTJLAIJQUKY-UHFFFAOYSA-N 1 2 286.339 0.793 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000602935901 362897322 /nfs/dbraw/zinc/89/73/22/362897322.db2.gz BJSZADGGSUBWSW-UHFFFAOYSA-N 1 2 288.355 0.806 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000602935901 362897327 /nfs/dbraw/zinc/89/73/27/362897327.db2.gz BJSZADGGSUBWSW-UHFFFAOYSA-N 1 2 288.355 0.806 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047795940 348388485 /nfs/dbraw/zinc/38/84/85/348388485.db2.gz LPDOEENAERKRTO-LLVKDONJSA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047795940 348388488 /nfs/dbraw/zinc/38/84/88/348388488.db2.gz LPDOEENAERKRTO-LLVKDONJSA-N 1 2 269.345 0.499 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000349309049 137391638 /nfs/dbraw/zinc/39/16/38/137391638.db2.gz CFRLHVBTRQXHIT-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000349309049 137391639 /nfs/dbraw/zinc/39/16/39/137391639.db2.gz CFRLHVBTRQXHIT-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051886731 348498437 /nfs/dbraw/zinc/49/84/37/348498437.db2.gz JIKSSDYDIWSPKH-SECBINFHSA-N 1 2 265.338 0.872 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000051886731 348498440 /nfs/dbraw/zinc/49/84/40/348498440.db2.gz JIKSSDYDIWSPKH-SECBINFHSA-N 1 2 265.338 0.872 20 30 CCEDLO C=CC[NH+](CC=C)CC(=O)N(C)CC(=O)NCCC ZINC000052868727 348516320 /nfs/dbraw/zinc/51/63/20/348516320.db2.gz FFUGHCFHRYYFGN-UHFFFAOYSA-N 1 2 267.373 0.645 20 30 CCEDLO Cc1cc(NC(=O)CN2CC[NH+](CCCC#N)CC2)no1 ZINC000053898524 348536670 /nfs/dbraw/zinc/53/66/70/348536670.db2.gz HPMGRQSFQYYRES-UHFFFAOYSA-N 1 2 291.355 0.843 20 30 CCEDLO C=CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057440185 348609894 /nfs/dbraw/zinc/60/98/94/348609894.db2.gz KDAWIXAVJXALKG-UHFFFAOYSA-N 1 2 290.371 0.084 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)NC1(C#N)CCCCC1 ZINC000056508888 348592629 /nfs/dbraw/zinc/59/26/29/348592629.db2.gz WBWUCOOCROMCBA-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)NC1(C#N)CCCCC1 ZINC000056508888 348592632 /nfs/dbraw/zinc/59/26/32/348592632.db2.gz WBWUCOOCROMCBA-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C[C@@H](C)C#N ZINC000064249069 348697547 /nfs/dbraw/zinc/69/75/47/348697547.db2.gz FVFWJEACISGCDR-GXTWGEPZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C[C@@H](C)C#N ZINC000064249069 348697552 /nfs/dbraw/zinc/69/75/52/348697552.db2.gz FVFWJEACISGCDR-GXTWGEPZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cccnc2C#N)CC1 ZINC000273982594 192388878 /nfs/dbraw/zinc/38/88/78/192388878.db2.gz HWOVNSHTDOFITR-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000081750160 349282085 /nfs/dbraw/zinc/28/20/85/349282085.db2.gz SHBWXFXSGKXQMG-ACAGNQJTSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000081750160 349282088 /nfs/dbraw/zinc/28/20/88/349282088.db2.gz SHBWXFXSGKXQMG-ACAGNQJTSA-N 1 2 277.368 0.236 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603088598 362956326 /nfs/dbraw/zinc/95/63/26/362956326.db2.gz NSCZCYLOJMDTHL-BXUZGUMPSA-N 1 2 257.293 0.563 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603088598 362956333 /nfs/dbraw/zinc/95/63/33/362956333.db2.gz NSCZCYLOJMDTHL-BXUZGUMPSA-N 1 2 257.293 0.563 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000109759950 186270364 /nfs/dbraw/zinc/27/03/64/186270364.db2.gz JMUNNIOKORXDSM-OCCSQVGLSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000109759950 186270366 /nfs/dbraw/zinc/27/03/66/186270366.db2.gz JMUNNIOKORXDSM-OCCSQVGLSA-N 1 2 290.319 0.545 20 30 CCEDLO N#Cc1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000603161295 362978449 /nfs/dbraw/zinc/97/84/49/362978449.db2.gz LZEGCVLLZRQRNR-CQSZACIVSA-N 1 2 269.308 0.859 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CO)C2)cc1 ZINC000168988604 350834474 /nfs/dbraw/zinc/83/44/74/350834474.db2.gz LBANYZOMVHYNCH-ZDUSSCGKSA-N 1 2 294.376 0.646 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000168988604 350834477 /nfs/dbraw/zinc/83/44/77/350834477.db2.gz LBANYZOMVHYNCH-ZDUSSCGKSA-N 1 2 294.376 0.646 20 30 CCEDLO COc1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)cc1C#N ZINC000603229366 363011217 /nfs/dbraw/zinc/01/12/17/363011217.db2.gz LQRTWCFWGCLDRR-CQSZACIVSA-N 1 2 299.334 0.868 20 30 CCEDLO C=CC[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000189623175 351692828 /nfs/dbraw/zinc/69/28/28/351692828.db2.gz VWXMEBCORWLECL-UHFFFAOYSA-N 1 2 252.318 0.520 20 30 CCEDLO CCNC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191194687 351750428 /nfs/dbraw/zinc/75/04/28/351750428.db2.gz SEBOAKXUVAEYPY-UHFFFAOYSA-N 1 2 275.356 0.744 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cc1C#N ZINC000191397862 351757141 /nfs/dbraw/zinc/75/71/41/351757141.db2.gz CXUZJPRZIFGUOW-UHFFFAOYSA-N 1 2 260.341 0.949 20 30 CCEDLO Cn1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)cc1C#N ZINC000191397862 351757142 /nfs/dbraw/zinc/75/71/42/351757142.db2.gz CXUZJPRZIFGUOW-UHFFFAOYSA-N 1 2 260.341 0.949 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000228764145 352083938 /nfs/dbraw/zinc/08/39/38/352083938.db2.gz HFGIUBDEMCNEIU-NSHDSACASA-N 1 2 286.278 0.515 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000270680681 352967023 /nfs/dbraw/zinc/96/70/23/352967023.db2.gz UQAIAZLWMTUTDG-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000270680681 352967027 /nfs/dbraw/zinc/96/70/27/352967027.db2.gz UQAIAZLWMTUTDG-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000270841980 352994128 /nfs/dbraw/zinc/99/41/28/352994128.db2.gz GCJVEIWSSMOMQM-LBPRGKRZSA-N 1 2 273.336 0.583 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274369949 353123761 /nfs/dbraw/zinc/12/37/61/353123761.db2.gz VJHZNGZJTKJZKS-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560339 363205376 /nfs/dbraw/zinc/20/53/76/363205376.db2.gz XSEFBNGOMIVJEG-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280727858 353378749 /nfs/dbraw/zinc/37/87/49/353378749.db2.gz VNGYLKKWPQBIOT-UHFFFAOYSA-N 1 2 277.324 0.864 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1C#N ZINC000158626349 188386430 /nfs/dbraw/zinc/38/64/30/188386430.db2.gz LPGCFLAOZHAFCK-STQMWFEESA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccccc1C#N ZINC000158626349 188386431 /nfs/dbraw/zinc/38/64/31/188386431.db2.gz LPGCFLAOZHAFCK-STQMWFEESA-N 1 2 290.319 0.545 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccnc(C#N)c1 ZINC000283422958 353507474 /nfs/dbraw/zinc/50/74/74/353507474.db2.gz AXDXDAMGIPPXDC-CQSZACIVSA-N 1 2 276.340 0.083 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000305313833 354143944 /nfs/dbraw/zinc/14/39/44/354143944.db2.gz MIXPDFBFGQTTEX-GFCCVEGCSA-N 1 2 280.299 0.769 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000608122834 363407612 /nfs/dbraw/zinc/40/76/12/363407612.db2.gz KMVSZZSDIZVKLE-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000608122834 363407616 /nfs/dbraw/zinc/40/76/16/363407616.db2.gz KMVSZZSDIZVKLE-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343341503 355769249 /nfs/dbraw/zinc/76/92/49/355769249.db2.gz VQJXGCYAUZJCSO-LBPRGKRZSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343341503 355769250 /nfs/dbraw/zinc/76/92/50/355769250.db2.gz VQJXGCYAUZJCSO-LBPRGKRZSA-N 1 2 254.330 0.168 20 30 CCEDLO CCS(=O)(=O)NCC[NH+]1CCC(F)(C#N)CC1 ZINC000352459122 356013509 /nfs/dbraw/zinc/01/35/09/356013509.db2.gz UGDOZZARAFWHLB-UHFFFAOYSA-N 1 2 263.338 0.253 20 30 CCEDLO C[C@@H](Nc1cc(C#N)ncn1)[C@H](C)[NH+]1CCOCC1 ZINC000559513346 291084491 /nfs/dbraw/zinc/08/44/91/291084491.db2.gz HMLIJNWWYBAIQO-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)s1 ZINC000353491790 356237580 /nfs/dbraw/zinc/23/75/80/356237580.db2.gz LGOQBFWGOPXRPJ-VIFPVBQESA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)s1 ZINC000353491790 356237584 /nfs/dbraw/zinc/23/75/84/356237584.db2.gz LGOQBFWGOPXRPJ-VIFPVBQESA-N 1 2 285.394 0.873 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000619621062 366302719 /nfs/dbraw/zinc/30/27/19/366302719.db2.gz SMWQCEWAYDVOSS-HUUCEWRRSA-N 1 2 290.411 0.939 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000610342039 363551735 /nfs/dbraw/zinc/55/17/35/363551735.db2.gz KGTMMEARGCHITL-CMPLNLGQSA-N 1 2 261.329 0.807 20 30 CCEDLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)CC#N)C2=O)n(C)n1 ZINC000610342888 363552400 /nfs/dbraw/zinc/55/24/00/363552400.db2.gz FMQZTMDMQOQMDB-MWLCHTKSSA-N 1 2 261.329 0.726 20 30 CCEDLO C=C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)C(=O)OC ZINC000619703238 366327887 /nfs/dbraw/zinc/32/78/87/366327887.db2.gz YGDKMAHJRWGZCG-RYUDHWBXSA-N 1 2 257.330 0.747 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NCCCC)CC1 ZINC000619715732 366332381 /nfs/dbraw/zinc/33/23/81/366332381.db2.gz FCYVXKOLSLZUEA-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)NC)CC1 ZINC000619718356 366337346 /nfs/dbraw/zinc/33/73/46/366337346.db2.gz LERKSVXCTCZCHT-NSHDSACASA-N 1 2 254.330 0.562 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356126002 356708440 /nfs/dbraw/zinc/70/84/40/356708440.db2.gz MEMPEYLPSZSKFI-UHFFFAOYSA-N 1 2 293.396 0.396 20 30 CCEDLO CC#CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000361412003 357047535 /nfs/dbraw/zinc/04/75/35/357047535.db2.gz DOZYIRRLRPFLED-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC3(CCC3)C2)CCC1 ZINC000364812907 357131837 /nfs/dbraw/zinc/13/18/37/357131837.db2.gz XRKZEHVCLWYFIA-UHFFFAOYSA-N 1 2 263.341 0.804 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC3(CCC3)C2)CCC1 ZINC000364812907 357131839 /nfs/dbraw/zinc/13/18/39/357131839.db2.gz XRKZEHVCLWYFIA-UHFFFAOYSA-N 1 2 263.341 0.804 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000610582791 363582218 /nfs/dbraw/zinc/58/22/18/363582218.db2.gz IOFUVSKNHJGREZ-LLVKDONJSA-N 1 2 294.355 0.057 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000610582791 363582219 /nfs/dbraw/zinc/58/22/19/363582219.db2.gz IOFUVSKNHJGREZ-LLVKDONJSA-N 1 2 294.355 0.057 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000449778206 236050285 /nfs/dbraw/zinc/05/02/85/236050285.db2.gz WCDIZPSFLBJBFN-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000449778206 236050287 /nfs/dbraw/zinc/05/02/87/236050287.db2.gz WCDIZPSFLBJBFN-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491253376 358293568 /nfs/dbraw/zinc/29/35/68/358293568.db2.gz NHNGYRVXNYLQBD-CYBMUJFWSA-N 1 2 295.383 0.141 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000543805272 358548484 /nfs/dbraw/zinc/54/84/84/358548484.db2.gz JXTLNGKKVKWAKX-MNOVXSKESA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000543805272 358548486 /nfs/dbraw/zinc/54/84/86/358548486.db2.gz JXTLNGKKVKWAKX-MNOVXSKESA-N 1 2 254.334 0.166 20 30 CCEDLO C=CCOCc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000545086978 358549773 /nfs/dbraw/zinc/54/97/73/358549773.db2.gz QOUZMFPIHQOLKK-JTQLQIEISA-N 1 2 252.318 0.691 20 30 CCEDLO C=CCOCc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000545086978 358549778 /nfs/dbraw/zinc/54/97/78/358549778.db2.gz QOUZMFPIHQOLKK-JTQLQIEISA-N 1 2 252.318 0.691 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204373 358833726 /nfs/dbraw/zinc/83/37/26/358833726.db2.gz QZDXDEGLFVTMGA-FZMZJTMJSA-N 1 2 263.341 0.868 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204373 358833728 /nfs/dbraw/zinc/83/37/28/358833728.db2.gz QZDXDEGLFVTMGA-FZMZJTMJSA-N 1 2 263.341 0.868 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000573210794 358948929 /nfs/dbraw/zinc/94/89/29/358948929.db2.gz XFDRDKQGHYQFRN-LLVKDONJSA-N 1 2 289.295 0.709 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000573210794 358948932 /nfs/dbraw/zinc/94/89/32/358948932.db2.gz XFDRDKQGHYQFRN-LLVKDONJSA-N 1 2 289.295 0.709 20 30 CCEDLO COCCn1nnc2c1CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000590186561 359429141 /nfs/dbraw/zinc/42/91/41/359429141.db2.gz DXYMNPALDYXMPZ-UHFFFAOYSA-N 1 2 298.350 0.749 20 30 CCEDLO COCCn1nnc2c1CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000590186561 359429143 /nfs/dbraw/zinc/42/91/43/359429143.db2.gz DXYMNPALDYXMPZ-UHFFFAOYSA-N 1 2 298.350 0.749 20 30 CCEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CC(C#N)C2)CC1 ZINC000590483106 359473497 /nfs/dbraw/zinc/47/34/97/359473497.db2.gz QJDMDVPPUKOFNO-UHFFFAOYSA-N 1 2 287.367 0.614 20 30 CCEDLO CC[C@@H](C(=O)N1CC(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000590485331 359474407 /nfs/dbraw/zinc/47/44/07/359474407.db2.gz ZAGJHONDFMHROY-OLZOCXBDSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@@H](C(=O)N1CC(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000590485331 359474411 /nfs/dbraw/zinc/47/44/11/359474411.db2.gz ZAGJHONDFMHROY-OLZOCXBDSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCCCC[N@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000590714128 359510476 /nfs/dbraw/zinc/51/04/76/359510476.db2.gz WSESQEWYRUYCFK-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C=CCCCC[N@@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000590714128 359510481 /nfs/dbraw/zinc/51/04/81/359510481.db2.gz WSESQEWYRUYCFK-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@@H](C)CCC#N)CC2)n[nH]1 ZINC000591020967 359546494 /nfs/dbraw/zinc/54/64/94/359546494.db2.gz LCLMJAVPSQZGKK-NSHDSACASA-N 1 2 262.361 0.923 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591056212 359550822 /nfs/dbraw/zinc/55/08/22/359550822.db2.gz DBPBOCONNLCXPO-GWCFXTLKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591056212 359550826 /nfs/dbraw/zinc/55/08/26/359550826.db2.gz DBPBOCONNLCXPO-GWCFXTLKSA-N 1 2 255.314 0.989 20 30 CCEDLO Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591817810 359661445 /nfs/dbraw/zinc/66/14/45/359661445.db2.gz JHBQBWZZYWOPPM-LBPRGKRZSA-N 1 2 294.380 0.780 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ncc3c(c2C#N)CCC3)CCO1 ZINC000591818520 359662926 /nfs/dbraw/zinc/66/29/26/359662926.db2.gz MUQHEXLYPBXJSW-GFCCVEGCSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ncc3c(c2C#N)CCC3)CCO1 ZINC000591818520 359662934 /nfs/dbraw/zinc/66/29/34/359662934.db2.gz MUQHEXLYPBXJSW-GFCCVEGCSA-N 1 2 286.379 0.996 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000592069810 359746305 /nfs/dbraw/zinc/74/63/05/359746305.db2.gz SZUCCHQBMDQXGE-CQSZACIVSA-N 1 2 261.325 0.927 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000592069810 359746308 /nfs/dbraw/zinc/74/63/08/359746308.db2.gz SZUCCHQBMDQXGE-CQSZACIVSA-N 1 2 261.325 0.927 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592191160 359780712 /nfs/dbraw/zinc/78/07/12/359780712.db2.gz AQTVSULHOOJDRA-YPMHNXCESA-N 1 2 275.308 0.309 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592191160 359780713 /nfs/dbraw/zinc/78/07/13/359780713.db2.gz AQTVSULHOOJDRA-YPMHNXCESA-N 1 2 275.308 0.309 20 30 CCEDLO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592150724 359768549 /nfs/dbraw/zinc/76/85/49/359768549.db2.gz HZYJABVATAELJI-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO Cc1cccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592150724 359768552 /nfs/dbraw/zinc/76/85/52/359768552.db2.gz HZYJABVATAELJI-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000592149413 359768750 /nfs/dbraw/zinc/76/87/50/359768750.db2.gz OQKPXPLAPKNACE-OAHLLOKOSA-N 1 2 291.326 0.792 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000592149413 359768753 /nfs/dbraw/zinc/76/87/53/359768753.db2.gz OQKPXPLAPKNACE-OAHLLOKOSA-N 1 2 291.326 0.792 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150916 359768986 /nfs/dbraw/zinc/76/89/86/359768986.db2.gz JRSVKUBYJBSWKY-JSGCOSHPSA-N 1 2 278.356 0.345 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150916 359768990 /nfs/dbraw/zinc/76/89/90/359768990.db2.gz JRSVKUBYJBSWKY-JSGCOSHPSA-N 1 2 278.356 0.345 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CCCCC1 ZINC000593095758 360034582 /nfs/dbraw/zinc/03/45/82/360034582.db2.gz SSHQXYOKAHXCQI-PVUDRZGPSA-N 1 2 295.408 0.534 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CCCCC1 ZINC000593095758 360034589 /nfs/dbraw/zinc/03/45/89/360034589.db2.gz SSHQXYOKAHXCQI-PVUDRZGPSA-N 1 2 295.408 0.534 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000593743806 360145435 /nfs/dbraw/zinc/14/54/35/360145435.db2.gz LFRBEWJKELWISD-GFCCVEGCSA-N 1 2 283.372 0.342 20 30 CCEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CC#N)cn1 ZINC000593690287 360136269 /nfs/dbraw/zinc/13/62/69/360136269.db2.gz WSRAIOVSPPHNDF-UHFFFAOYSA-N 1 2 272.312 0.559 20 30 CCEDLO Cn1cc(C[N@@H+]2Cc3cccc(C#N)c3C2)c(=O)n(C)c1=O ZINC000593698040 360136971 /nfs/dbraw/zinc/13/69/71/360136971.db2.gz OKGOYGHHKZFZNT-UHFFFAOYSA-N 1 2 296.330 0.471 20 30 CCEDLO Cn1cc(C[N@H+]2Cc3cccc(C#N)c3C2)c(=O)n(C)c1=O ZINC000593698040 360136978 /nfs/dbraw/zinc/13/69/78/360136978.db2.gz OKGOYGHHKZFZNT-UHFFFAOYSA-N 1 2 296.330 0.471 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611429039 363717113 /nfs/dbraw/zinc/71/71/13/363717113.db2.gz KVDNOUURCHXTIV-GFCCVEGCSA-N 1 2 276.384 0.575 20 30 CCEDLO Cc1nnc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)[nH]1 ZINC000611431393 363718135 /nfs/dbraw/zinc/71/81/35/363718135.db2.gz YENSCDBNGAJRKM-UHFFFAOYSA-N 1 2 297.366 0.698 20 30 CCEDLO C[C@H](CO)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901890 360411967 /nfs/dbraw/zinc/41/19/67/360411967.db2.gz PIAZSTLGJVRNCW-LBPRGKRZSA-N 1 2 291.351 0.181 20 30 CCEDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000611532636 363735056 /nfs/dbraw/zinc/73/50/56/363735056.db2.gz NOHSSLZLDUTXQU-GFCCVEGCSA-N 1 2 290.371 0.518 20 30 CCEDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000611532636 363735059 /nfs/dbraw/zinc/73/50/59/363735059.db2.gz NOHSSLZLDUTXQU-GFCCVEGCSA-N 1 2 290.371 0.518 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](OC)[C@H]1CCOC1 ZINC000595348584 360504927 /nfs/dbraw/zinc/50/49/27/360504927.db2.gz TXIBBXOORCWJIZ-STQMWFEESA-N 1 2 256.346 0.900 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](OC)[C@H]1CCOC1 ZINC000595348584 360504934 /nfs/dbraw/zinc/50/49/34/360504934.db2.gz TXIBBXOORCWJIZ-STQMWFEESA-N 1 2 256.346 0.900 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595398484 360519298 /nfs/dbraw/zinc/51/92/98/360519298.db2.gz QJIDKQQRHUADGK-ZDUSSCGKSA-N 1 2 262.361 0.513 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595398484 360519300 /nfs/dbraw/zinc/51/93/00/360519300.db2.gz QJIDKQQRHUADGK-ZDUSSCGKSA-N 1 2 262.361 0.513 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494655 360549372 /nfs/dbraw/zinc/54/93/72/360549372.db2.gz LHHCIBKZDQULEL-JTQLQIEISA-N 1 2 277.328 0.099 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595418 360592800 /nfs/dbraw/zinc/59/28/00/360592800.db2.gz HJAYCXCFWGOQLK-NSHDSACASA-N 1 2 263.345 0.850 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595418 360592803 /nfs/dbraw/zinc/59/28/03/360592803.db2.gz HJAYCXCFWGOQLK-NSHDSACASA-N 1 2 263.345 0.850 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595805592 360660396 /nfs/dbraw/zinc/66/03/96/360660396.db2.gz IDKYUALATZOSLZ-UHFFFAOYSA-N 1 2 264.300 0.874 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595805592 360660399 /nfs/dbraw/zinc/66/03/99/360660399.db2.gz IDKYUALATZOSLZ-UHFFFAOYSA-N 1 2 264.300 0.874 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@]2(COC)C(=O)OC)C1=O ZINC000595804839 360660849 /nfs/dbraw/zinc/66/08/49/360660849.db2.gz HVMBIFUSCOCGSH-DOMZBBRYSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@]2(COC)C(=O)OC)C1=O ZINC000595804839 360660852 /nfs/dbraw/zinc/66/08/52/360660852.db2.gz HVMBIFUSCOCGSH-DOMZBBRYSA-N 1 2 296.367 0.427 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178816781 189148668 /nfs/dbraw/zinc/14/86/68/189148668.db2.gz HKHHANSNVXEDQP-AWEZNQCLSA-N 1 2 284.363 0.596 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000596454828 360899425 /nfs/dbraw/zinc/89/94/25/360899425.db2.gz VIPCCXASRAIJRA-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000596454828 360899429 /nfs/dbraw/zinc/89/94/29/360899429.db2.gz VIPCCXASRAIJRA-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596692763 360942489 /nfs/dbraw/zinc/94/24/89/360942489.db2.gz AGKUCBOOMUHVSF-NWDGAFQWSA-N 1 2 292.383 0.347 20 30 CCEDLO N#Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c[nH]1 ZINC000597706689 361203463 /nfs/dbraw/zinc/20/34/63/361203463.db2.gz IGZIKFSXRGJAPX-AWEZNQCLSA-N 1 2 288.351 0.823 20 30 CCEDLO CCC(CC)[C@@H](C(=O)N[C@H](C#N)CO)[NH+]1CCOCC1 ZINC000597739892 361221490 /nfs/dbraw/zinc/22/14/90/361221490.db2.gz CLRWDFMKJYFXBY-OLZOCXBDSA-N 1 2 283.372 0.124 20 30 CCEDLO C[C@@H](C(=O)N[C@@H](C#N)CO)[N@@H+]1CCc2ccccc2C1 ZINC000597747706 361231937 /nfs/dbraw/zinc/23/19/37/361231937.db2.gz RODDYXKPOOFVTP-FZMZJTMJSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@@H](C(=O)N[C@@H](C#N)CO)[N@H+]1CCc2ccccc2C1 ZINC000597747706 361231940 /nfs/dbraw/zinc/23/19/40/361231940.db2.gz RODDYXKPOOFVTP-FZMZJTMJSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCN(C)CC1 ZINC000597914594 361282605 /nfs/dbraw/zinc/28/26/05/361282605.db2.gz WOLQDRSBDWCKRG-ZIAGYGMSSA-N 1 2 278.400 0.775 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC3OCCO3)CC2)nc1 ZINC000182073815 189313379 /nfs/dbraw/zinc/31/33/79/189313379.db2.gz OJJABKNSNUHVJP-UHFFFAOYSA-N 1 2 274.324 0.448 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617446 361459678 /nfs/dbraw/zinc/45/96/78/361459678.db2.gz RNLRWUQVCVJEGU-MNOVXSKESA-N 1 2 293.371 0.990 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617446 361459682 /nfs/dbraw/zinc/45/96/82/361459682.db2.gz RNLRWUQVCVJEGU-MNOVXSKESA-N 1 2 293.371 0.990 20 30 CCEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598619541 361461706 /nfs/dbraw/zinc/46/17/06/361461706.db2.gz SEZHVTAKJABBBH-UTUOFQBUSA-N 1 2 293.371 0.867 20 30 CCEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598619541 361461711 /nfs/dbraw/zinc/46/17/11/361461711.db2.gz SEZHVTAKJABBBH-UTUOFQBUSA-N 1 2 293.371 0.867 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598603918 361456314 /nfs/dbraw/zinc/45/63/14/361456314.db2.gz LNIVTWWKNXPMEM-LBPRGKRZSA-N 1 2 267.373 0.840 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598603918 361456320 /nfs/dbraw/zinc/45/63/20/361456320.db2.gz LNIVTWWKNXPMEM-LBPRGKRZSA-N 1 2 267.373 0.840 20 30 CCEDLO N#Cc1ccc(CC(=O)NCCCn2cc[nH+]c2)cn1 ZINC000598956738 361541504 /nfs/dbraw/zinc/54/15/04/361541504.db2.gz NNHHUFLUCMXYEP-UHFFFAOYSA-N 1 2 269.308 0.899 20 30 CCEDLO N#Cc1nccc(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000564453921 291280731 /nfs/dbraw/zinc/28/07/31/291280731.db2.gz DYSOVKSNDBXHBN-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599307992 361644652 /nfs/dbraw/zinc/64/46/52/361644652.db2.gz PVBDKNYPKAISST-CQSZACIVSA-N 1 2 295.383 0.920 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599307992 361644656 /nfs/dbraw/zinc/64/46/56/361644656.db2.gz PVBDKNYPKAISST-CQSZACIVSA-N 1 2 295.383 0.920 20 30 CCEDLO COC(=O)C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599307334 361645073 /nfs/dbraw/zinc/64/50/73/361645073.db2.gz SACMZGNFENPGEE-CYBMUJFWSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599307334 361645075 /nfs/dbraw/zinc/64/50/75/361645075.db2.gz SACMZGNFENPGEE-CYBMUJFWSA-N 1 2 296.367 0.695 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000623402755 367555792 /nfs/dbraw/zinc/55/57/92/367555792.db2.gz YMGSDDDKKTURCQ-OAHLLOKOSA-N 1 2 287.363 0.668 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000623402755 367555798 /nfs/dbraw/zinc/55/57/98/367555798.db2.gz YMGSDDDKKTURCQ-OAHLLOKOSA-N 1 2 287.363 0.668 20 30 CCEDLO C=CCCC[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632183619 370910225 /nfs/dbraw/zinc/91/02/25/370910225.db2.gz ALFVCCCOSFWUSG-QWHCGFSZSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCC[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632183619 370910231 /nfs/dbraw/zinc/91/02/31/370910231.db2.gz ALFVCCCOSFWUSG-QWHCGFSZSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCN(Cc1[nH]cc(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000628152251 369194834 /nfs/dbraw/zinc/19/48/34/369194834.db2.gz SNHKQOOWVKMZCL-LLVKDONJSA-N 1 2 269.370 0.893 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1F ZINC000330833159 203290612 /nfs/dbraw/zinc/29/06/12/203290612.db2.gz KOKKGIRUSVFZKM-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1F ZINC000330833159 203290616 /nfs/dbraw/zinc/29/06/16/203290616.db2.gz KOKKGIRUSVFZKM-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897814 371771013 /nfs/dbraw/zinc/77/10/13/371771013.db2.gz LVDINBUJOHKFRP-AWEZNQCLSA-N 1 2 276.336 0.583 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637870337 374436102 /nfs/dbraw/zinc/43/61/02/374436102.db2.gz RQUURTHFRGGREB-NSHDSACASA-N 1 2 251.330 0.007 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCn2cncn2)c1 ZINC000264003578 190088256 /nfs/dbraw/zinc/08/82/56/190088256.db2.gz HUKWIOZCEITXFO-UHFFFAOYSA-N 1 2 283.335 0.830 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCn2cncn2)c1 ZINC000264003578 190088257 /nfs/dbraw/zinc/08/82/57/190088257.db2.gz HUKWIOZCEITXFO-UHFFFAOYSA-N 1 2 283.335 0.830 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)C[C@](C)(O)C2CC2)nn1 ZINC000641232723 376932866 /nfs/dbraw/zinc/93/28/66/376932866.db2.gz RXGCEPVGOBQEPK-CABCVRRESA-N 1 2 292.383 0.303 20 30 CCEDLO Cc1cc(C#N)nc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286347258 291676796 /nfs/dbraw/zinc/67/67/96/291676796.db2.gz MHUZINUXCVHCOY-TZMCWYRMSA-N 1 2 287.367 0.956 20 30 CCEDLO N#Cc1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)nc1 ZINC000518758633 249258067 /nfs/dbraw/zinc/25/80/67/249258067.db2.gz GVLGMFYBRZJOJJ-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO Cc1ccc(C#N)c(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000278874431 194192342 /nfs/dbraw/zinc/19/23/42/194192342.db2.gz ZQHCNAZLMOYHQN-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO Cc1ccc(C#N)c(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000278874431 194192343 /nfs/dbraw/zinc/19/23/43/194192343.db2.gz ZQHCNAZLMOYHQN-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO C#C[C@H](C)N(C)c1nc(NC)nc(N(C)[C@@H](C)C#C)[nH+]1 ZINC000491780863 262039831 /nfs/dbraw/zinc/03/98/31/262039831.db2.gz LHXXXIRCHGSLIR-QWRGUYRKSA-N 1 2 272.356 0.251 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000280853921 195003154 /nfs/dbraw/zinc/00/31/54/195003154.db2.gz YGNDIXPZJDIBNY-YPMHNXCESA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000280853921 195003155 /nfs/dbraw/zinc/00/31/55/195003155.db2.gz YGNDIXPZJDIBNY-YPMHNXCESA-N 1 2 292.335 0.791 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(C(C)C)C2=O)nn1 ZINC000657362481 412973177 /nfs/dbraw/zinc/97/31/77/412973177.db2.gz WIMAXERUYTYPNO-ZDUSSCGKSA-N 1 2 277.372 0.953 20 30 CCEDLO C[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288784346 197165800 /nfs/dbraw/zinc/16/58/00/197165800.db2.gz BZIKABKZCMCDFW-JTQLQIEISA-N 1 2 283.353 0.040 20 30 CCEDLO C[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288784346 197165801 /nfs/dbraw/zinc/16/58/01/197165801.db2.gz BZIKABKZCMCDFW-JTQLQIEISA-N 1 2 283.353 0.040 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000290307250 388903418 /nfs/dbraw/zinc/90/34/18/388903418.db2.gz ALWDYYSYNINLCW-SWLSCSKDSA-N 1 2 292.383 0.562 20 30 CCEDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000049001508 388912925 /nfs/dbraw/zinc/91/29/25/388912925.db2.gz LJIBLNOBZVVELQ-UHFFFAOYSA-N 1 2 297.384 0.974 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nccn1C ZINC000062251980 388938511 /nfs/dbraw/zinc/93/85/11/388938511.db2.gz FLMHFESPMYODBY-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nccn1C ZINC000062251980 388938513 /nfs/dbraw/zinc/93/85/13/388938513.db2.gz FLMHFESPMYODBY-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000188707378 388938599 /nfs/dbraw/zinc/93/85/99/388938599.db2.gz UPZMBFVVLIXQNI-GXTWGEPZSA-N 1 2 251.374 0.705 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000293201080 388981264 /nfs/dbraw/zinc/98/12/64/388981264.db2.gz UQANHGFKTBQJRX-QWRGUYRKSA-N 1 2 264.329 0.397 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000293201080 388981265 /nfs/dbraw/zinc/98/12/65/388981265.db2.gz UQANHGFKTBQJRX-QWRGUYRKSA-N 1 2 264.329 0.397 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000293870857 388989690 /nfs/dbraw/zinc/98/96/90/388989690.db2.gz SPKZRYPBYXZUCO-OAHLLOKOSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000293870857 388989691 /nfs/dbraw/zinc/98/96/91/388989691.db2.gz SPKZRYPBYXZUCO-OAHLLOKOSA-N 1 2 288.347 0.972 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(F)c1 ZINC000294811770 388993176 /nfs/dbraw/zinc/99/31/76/388993176.db2.gz NWSFOBBVKMGFDA-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(F)c1 ZINC000294811770 388993179 /nfs/dbraw/zinc/99/31/79/388993179.db2.gz NWSFOBBVKMGFDA-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190693638 388997538 /nfs/dbraw/zinc/99/75/38/388997538.db2.gz YJXVUTWCLHZIHL-UHFFFAOYSA-N 1 2 277.372 0.849 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190693638 388997543 /nfs/dbraw/zinc/99/75/43/388997543.db2.gz YJXVUTWCLHZIHL-UHFFFAOYSA-N 1 2 277.372 0.849 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190693638 388997544 /nfs/dbraw/zinc/99/75/44/388997544.db2.gz YJXVUTWCLHZIHL-UHFFFAOYSA-N 1 2 277.372 0.849 20 30 CCEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735248 389030287 /nfs/dbraw/zinc/03/02/87/389030287.db2.gz XETVSXUQAFXUEZ-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735248 389030289 /nfs/dbraw/zinc/03/02/89/389030289.db2.gz XETVSXUQAFXUEZ-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C1 ZINC000290059400 285331535 /nfs/dbraw/zinc/33/15/35/285331535.db2.gz FAZUIINOKLWGIT-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C1 ZINC000290059400 285331537 /nfs/dbraw/zinc/33/15/37/285331537.db2.gz FAZUIINOKLWGIT-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192029848 389024393 /nfs/dbraw/zinc/02/43/93/389024393.db2.gz KXKXTZQCUZKPLZ-CQSZACIVSA-N 1 2 278.377 0.662 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192029848 389024398 /nfs/dbraw/zinc/02/43/98/389024398.db2.gz KXKXTZQCUZKPLZ-CQSZACIVSA-N 1 2 278.377 0.662 20 30 CCEDLO CCN(CCC#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000354466131 389026407 /nfs/dbraw/zinc/02/64/07/389026407.db2.gz LVEZUZXBYNRKQD-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000337967710 389071855 /nfs/dbraw/zinc/07/18/55/389071855.db2.gz HXKREGPJYIJHSO-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000337967710 389071857 /nfs/dbraw/zinc/07/18/57/389071857.db2.gz HXKREGPJYIJHSO-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO CC[N@H+](CCNS(=O)(=O)CCCOC)C[C@H](C)C#N ZINC000355559255 389093773 /nfs/dbraw/zinc/09/37/73/389093773.db2.gz VVGPLEIHQRTGFS-GFCCVEGCSA-N 1 2 291.417 0.424 20 30 CCEDLO CC[N@@H+](CCNS(=O)(=O)CCCOC)C[C@H](C)C#N ZINC000355559255 389093776 /nfs/dbraw/zinc/09/37/76/389093776.db2.gz VVGPLEIHQRTGFS-GFCCVEGCSA-N 1 2 291.417 0.424 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NC ZINC000298617820 389035603 /nfs/dbraw/zinc/03/56/03/389035603.db2.gz UMCLPOJNVHXPNA-LBPRGKRZSA-N 1 2 273.336 0.966 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NC ZINC000298617820 389035611 /nfs/dbraw/zinc/03/56/11/389035611.db2.gz UMCLPOJNVHXPNA-LBPRGKRZSA-N 1 2 273.336 0.966 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1CC1 ZINC000328903888 389144657 /nfs/dbraw/zinc/14/46/57/389144657.db2.gz INIQBAGHQCYFOY-SECBINFHSA-N 1 2 266.301 0.429 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1CC1 ZINC000328903888 389144659 /nfs/dbraw/zinc/14/46/59/389144659.db2.gz INIQBAGHQCYFOY-SECBINFHSA-N 1 2 266.301 0.429 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121133119 389146456 /nfs/dbraw/zinc/14/64/56/389146456.db2.gz DTVDHVPQTBVSTM-TZMCWYRMSA-N 1 2 272.352 0.743 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000107595570 389096920 /nfs/dbraw/zinc/09/69/20/389096920.db2.gz LTOCTIGJWAIKFP-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO CCC[N@H+](CC#N)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338304192 389107736 /nfs/dbraw/zinc/10/77/36/389107736.db2.gz JKWQFAUVZJHNJT-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338304192 389107738 /nfs/dbraw/zinc/10/77/38/389107738.db2.gz JKWQFAUVZJHNJT-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cnn(C)c1C#N)[NH+]1CCOCC1 ZINC000355665280 389108973 /nfs/dbraw/zinc/10/89/73/389108973.db2.gz UXVKUHAWZQPIAN-WDEREUQCSA-N 1 2 291.355 0.131 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338588673 389113353 /nfs/dbraw/zinc/11/33/53/389113353.db2.gz ZEDQKQDLNWXUOL-WCQYABFASA-N 1 2 271.336 0.401 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338588673 389113355 /nfs/dbraw/zinc/11/33/55/389113355.db2.gz ZEDQKQDLNWXUOL-WCQYABFASA-N 1 2 271.336 0.401 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(F)cc1F ZINC000121370586 389148359 /nfs/dbraw/zinc/14/83/59/389148359.db2.gz JUHIZNSHYVCEOK-ZETCQYMHSA-N 1 2 287.266 0.963 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOCCC#N ZINC000338995793 389120707 /nfs/dbraw/zinc/12/07/07/389120707.db2.gz HMPITESNLLIIDA-NSHDSACASA-N 1 2 262.375 0.672 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOCCC#N ZINC000338995793 389120708 /nfs/dbraw/zinc/12/07/08/389120708.db2.gz HMPITESNLLIIDA-NSHDSACASA-N 1 2 262.375 0.672 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N(CC)CCC#N ZINC000338997723 389120775 /nfs/dbraw/zinc/12/07/75/389120775.db2.gz LLTRQCKOQTWQIZ-UHFFFAOYSA-N 1 2 282.388 0.549 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000338997723 389120779 /nfs/dbraw/zinc/12/07/79/389120779.db2.gz LLTRQCKOQTWQIZ-UHFFFAOYSA-N 1 2 282.388 0.549 20 30 CCEDLO C=CCOCC[N@@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000339052920 389123435 /nfs/dbraw/zinc/12/34/35/389123435.db2.gz CALAMPLGISLYNQ-LBPRGKRZSA-N 1 2 277.386 0.325 20 30 CCEDLO C=CCOCC[N@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000339052920 389123438 /nfs/dbraw/zinc/12/34/38/389123438.db2.gz CALAMPLGISLYNQ-LBPRGKRZSA-N 1 2 277.386 0.325 20 30 CCEDLO CC(C)(C(=O)NC[C@@H]1COCCO1)[NH+]1CCOCC1 ZINC000328761239 389136354 /nfs/dbraw/zinc/13/63/54/389136354.db2.gz XXAVBJJKJCZLHA-LLVKDONJSA-N 1 2 272.345 0.469 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000339755376 389138624 /nfs/dbraw/zinc/13/86/24/389138624.db2.gz GVMMTMLBNGVABG-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000339755376 389138626 /nfs/dbraw/zinc/13/86/26/389138626.db2.gz GVMMTMLBNGVABG-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773971 389139541 /nfs/dbraw/zinc/13/95/41/389139541.db2.gz VKPXLGAMHVLRNN-CYBMUJFWSA-N 1 2 295.383 0.889 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773971 389139544 /nfs/dbraw/zinc/13/95/44/389139544.db2.gz VKPXLGAMHVLRNN-CYBMUJFWSA-N 1 2 295.383 0.889 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CN1CCOCC1=O ZINC000329845010 389205859 /nfs/dbraw/zinc/20/58/59/389205859.db2.gz LQPAIRVQUZAJKR-UHFFFAOYSA-N 1 2 294.355 0.854 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000129560815 389189717 /nfs/dbraw/zinc/18/97/17/389189717.db2.gz WJWZQPILANXQLQ-LLVKDONJSA-N 1 2 297.380 0.947 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000129560815 389189722 /nfs/dbraw/zinc/18/97/22/389189722.db2.gz WJWZQPILANXQLQ-LLVKDONJSA-N 1 2 297.380 0.947 20 30 CCEDLO [O-]C(=[NH+]CC1=CCCOC1)N1CCn2c[nH+]cc2C1 ZINC000329722740 389192027 /nfs/dbraw/zinc/19/20/27/389192027.db2.gz FGVWOXZWMXRZSS-UHFFFAOYSA-N 1 2 262.313 0.959 20 30 CCEDLO O=C(NCC1=CCCOC1)N1CCn2c[nH+]cc2C1 ZINC000329722740 389192033 /nfs/dbraw/zinc/19/20/33/389192033.db2.gz FGVWOXZWMXRZSS-UHFFFAOYSA-N 1 2 262.313 0.959 20 30 CCEDLO O=C(NCC[NH+]1CCC1)NC[C@H]1CCCCS1(=O)=O ZINC000329731500 389193537 /nfs/dbraw/zinc/19/35/37/389193537.db2.gz GSHQGRAYFKAYJQ-LLVKDONJSA-N 1 2 289.401 0.163 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCOC1 ZINC000329292205 389154314 /nfs/dbraw/zinc/15/43/14/389154314.db2.gz IVUKHDNTYSGHAN-QJPTWQEYSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCOC1 ZINC000329292205 389154318 /nfs/dbraw/zinc/15/43/18/389154318.db2.gz IVUKHDNTYSGHAN-QJPTWQEYSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000329375404 389160588 /nfs/dbraw/zinc/16/05/88/389160588.db2.gz LIAZOQYHYYJSTA-NEPJUHHUSA-N 1 2 296.371 0.960 20 30 CCEDLO C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000329514230 389167900 /nfs/dbraw/zinc/16/79/00/389167900.db2.gz YCUBLUBWWZPVEX-LBPRGKRZSA-N 1 2 283.372 0.486 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@]3(C)CCOC3)C[C@@H]21 ZINC000329606434 389175735 /nfs/dbraw/zinc/17/57/35/389175735.db2.gz MNJGVYSIUSPVSU-OUCADQQQSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@]3(C)CCOC3)C[C@@H]21 ZINC000329606434 389175738 /nfs/dbraw/zinc/17/57/38/389175738.db2.gz MNJGVYSIUSPVSU-OUCADQQQSA-N 1 2 283.372 0.342 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247598855 389241301 /nfs/dbraw/zinc/24/13/01/389241301.db2.gz OWIDYCSIUYYDTG-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247598855 389241302 /nfs/dbraw/zinc/24/13/02/389241302.db2.gz OWIDYCSIUYYDTG-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO CN(CCO)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330567278 389241416 /nfs/dbraw/zinc/24/14/16/389241416.db2.gz COZGSOJCCLYRJE-UHFFFAOYSA-N 1 2 294.355 0.256 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000330589308 389244336 /nfs/dbraw/zinc/24/43/36/389244336.db2.gz WOHYPGYKJRWXFF-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1CC ZINC000330589308 389244337 /nfs/dbraw/zinc/24/43/37/389244337.db2.gz WOHYPGYKJRWXFF-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330584769 389244412 /nfs/dbraw/zinc/24/44/12/389244412.db2.gz VSLZOHXAAHCTPR-UWVGGRQHSA-N 1 2 275.324 0.077 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330584769 389244414 /nfs/dbraw/zinc/24/44/14/389244414.db2.gz VSLZOHXAAHCTPR-UWVGGRQHSA-N 1 2 275.324 0.077 20 30 CCEDLO Cc1noc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330620408 389247263 /nfs/dbraw/zinc/24/72/63/389247263.db2.gz KEKNBXYHKQOOSX-LLVKDONJSA-N 1 2 283.328 0.289 20 30 CCEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@H]2C)cnn1C ZINC000330620357 389247383 /nfs/dbraw/zinc/24/73/83/389247383.db2.gz JWFXVTKONPJURN-SNVBAGLBSA-N 1 2 266.345 0.754 20 30 CCEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cnn1C ZINC000330620357 389247385 /nfs/dbraw/zinc/24/73/85/389247385.db2.gz JWFXVTKONPJURN-SNVBAGLBSA-N 1 2 266.345 0.754 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000248625650 389247586 /nfs/dbraw/zinc/24/75/86/389247586.db2.gz UWZTULRIZLHDMJ-HUUCEWRRSA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000248625650 389247589 /nfs/dbraw/zinc/24/75/89/389247589.db2.gz UWZTULRIZLHDMJ-HUUCEWRRSA-N 1 2 292.383 0.525 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330683392 389252241 /nfs/dbraw/zinc/25/22/41/389252241.db2.gz RIUNPSRUXUCWMN-VXNVDRBHSA-N 1 2 297.277 0.424 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330683392 389252243 /nfs/dbraw/zinc/25/22/43/389252243.db2.gz RIUNPSRUXUCWMN-VXNVDRBHSA-N 1 2 297.277 0.424 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363774263 389253808 /nfs/dbraw/zinc/25/38/08/389253808.db2.gz NMLNOJNNFPEVHB-AWEZNQCLSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363774263 389253809 /nfs/dbraw/zinc/25/38/09/389253809.db2.gz NMLNOJNNFPEVHB-AWEZNQCLSA-N 1 2 290.367 0.753 20 30 CCEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)CCO ZINC000136072671 389264372 /nfs/dbraw/zinc/26/43/72/389264372.db2.gz QXTFPQCIAMKVCV-UHFFFAOYSA-N 1 2 271.342 0.344 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329855775 389206956 /nfs/dbraw/zinc/20/69/56/389206956.db2.gz XQBUBXHXQARWDH-SNVBAGLBSA-N 1 2 274.328 0.704 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329882691 389208495 /nfs/dbraw/zinc/20/84/95/389208495.db2.gz QFWAGDSKYPBRPU-SNVBAGLBSA-N 1 2 280.328 0.301 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329882691 389208498 /nfs/dbraw/zinc/20/84/98/389208498.db2.gz QFWAGDSKYPBRPU-SNVBAGLBSA-N 1 2 280.328 0.301 20 30 CCEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NC(=O)NC1CC1 ZINC000329890647 389208799 /nfs/dbraw/zinc/20/87/99/389208799.db2.gz GOTZXBGJHDHKIL-ZDUSSCGKSA-N 1 2 283.328 0.511 20 30 CCEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NC(=O)NC1CC1 ZINC000329890647 389208801 /nfs/dbraw/zinc/20/88/01/389208801.db2.gz GOTZXBGJHDHKIL-ZDUSSCGKSA-N 1 2 283.328 0.511 20 30 CCEDLO CO[C@H](C(=O)NCC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000329937398 389212111 /nfs/dbraw/zinc/21/21/11/389212111.db2.gz LNGMVBCJSBESHW-ZDUSSCGKSA-N 1 2 283.372 0.532 20 30 CCEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]CCn1cncn1 ZINC000329963427 389214361 /nfs/dbraw/zinc/21/43/61/389214361.db2.gz SPPTZDMYRMWZLU-NSHDSACASA-N 1 2 289.343 0.241 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329963427 389214365 /nfs/dbraw/zinc/21/43/65/389214365.db2.gz SPPTZDMYRMWZLU-NSHDSACASA-N 1 2 289.343 0.241 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@]2(CCOC2)O1 ZINC000330161900 389217971 /nfs/dbraw/zinc/21/79/71/389217971.db2.gz UENZNQBPVAXLNU-QMTHXVAHSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@]2(CCOC2)O1 ZINC000330161900 389217972 /nfs/dbraw/zinc/21/79/72/389217972.db2.gz UENZNQBPVAXLNU-QMTHXVAHSA-N 1 2 297.355 0.899 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000361517392 389218052 /nfs/dbraw/zinc/21/80/52/389218052.db2.gz CLLSDJNOAJZLQO-UHFFFAOYSA-N 1 2 295.339 0.394 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000361517392 389218055 /nfs/dbraw/zinc/21/80/55/389218055.db2.gz CLLSDJNOAJZLQO-UHFFFAOYSA-N 1 2 295.339 0.394 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000330412225 389226405 /nfs/dbraw/zinc/22/64/05/389226405.db2.gz AYUOQNQWHJDRQN-NSHDSACASA-N 1 2 298.387 0.416 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000330412225 389226407 /nfs/dbraw/zinc/22/64/07/389226407.db2.gz AYUOQNQWHJDRQN-NSHDSACASA-N 1 2 298.387 0.416 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330415430 389226779 /nfs/dbraw/zinc/22/67/79/389226779.db2.gz UKTWRDSKDNFMDN-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330415430 389226782 /nfs/dbraw/zinc/22/67/82/389226782.db2.gz UKTWRDSKDNFMDN-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000330434228 389228672 /nfs/dbraw/zinc/22/86/72/389228672.db2.gz LMDWTVYCOLYPCQ-UHFFFAOYSA-N 1 2 272.349 0.526 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)NCCC(N)=O)CCO1 ZINC000330434228 389228673 /nfs/dbraw/zinc/22/86/73/389228673.db2.gz LMDWTVYCOLYPCQ-UHFFFAOYSA-N 1 2 272.349 0.526 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246631478 389230883 /nfs/dbraw/zinc/23/08/83/389230883.db2.gz WCZSOPYSEOHHBR-JHJVBQTASA-N 1 2 297.399 0.374 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246631478 389230886 /nfs/dbraw/zinc/23/08/86/389230886.db2.gz WCZSOPYSEOHHBR-JHJVBQTASA-N 1 2 297.399 0.374 20 30 CCEDLO COCCN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330453826 389230946 /nfs/dbraw/zinc/23/09/46/389230946.db2.gz CAJGVDLEYYSNES-NSHDSACASA-N 1 2 259.350 0.199 20 30 CCEDLO CNC(=O)NCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330540165 389239299 /nfs/dbraw/zinc/23/92/99/389239299.db2.gz ROSRCKOSSSFCKO-UHFFFAOYSA-N 1 2 265.317 0.249 20 30 CCEDLO CNC(=O)NCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330540165 389239303 /nfs/dbraw/zinc/23/93/03/389239303.db2.gz ROSRCKOSSSFCKO-UHFFFAOYSA-N 1 2 265.317 0.249 20 30 CCEDLO C[C@@H](C#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000345750263 389314180 /nfs/dbraw/zinc/31/41/80/389314180.db2.gz LQJWSNAGSIUJEG-NSHDSACASA-N 1 2 277.328 0.313 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345942313 389318196 /nfs/dbraw/zinc/31/81/96/389318196.db2.gz XOAFJPZGBFFCKJ-GFCCVEGCSA-N 1 2 294.399 0.738 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345942313 389318198 /nfs/dbraw/zinc/31/81/98/389318198.db2.gz XOAFJPZGBFFCKJ-GFCCVEGCSA-N 1 2 294.399 0.738 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000156557616 389326016 /nfs/dbraw/zinc/32/60/16/389326016.db2.gz GGDKZXBKEHKARE-UHFFFAOYSA-N 1 2 289.354 0.806 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346497302 389330063 /nfs/dbraw/zinc/33/00/63/389330063.db2.gz VYAZAMACRBWVKD-CYBMUJFWSA-N 1 2 277.368 0.494 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346497302 389330064 /nfs/dbraw/zinc/33/00/64/389330064.db2.gz VYAZAMACRBWVKD-CYBMUJFWSA-N 1 2 277.368 0.494 20 30 CCEDLO CC[N@@H+](CC(=O)NCCCN1CCCC1=O)C[C@H](C)C#N ZINC000157629118 389332253 /nfs/dbraw/zinc/33/22/53/389332253.db2.gz ALJWLQANJUBXHL-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO CC[N@H+](CC(=O)NCCCN1CCCC1=O)C[C@H](C)C#N ZINC000157629118 389332257 /nfs/dbraw/zinc/33/22/57/389332257.db2.gz ALJWLQANJUBXHL-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C#N)C(C)C ZINC000343669394 389269316 /nfs/dbraw/zinc/26/93/16/389269316.db2.gz OYZDZCIEIJPQBP-NSHDSACASA-N 1 2 268.361 0.107 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C#N)C(C)C ZINC000343669394 389269320 /nfs/dbraw/zinc/26/93/20/389269320.db2.gz OYZDZCIEIJPQBP-NSHDSACASA-N 1 2 268.361 0.107 20 30 CCEDLO C[C@H](NC(=O)NCCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000343764146 389272289 /nfs/dbraw/zinc/27/22/89/389272289.db2.gz UXLBLKCMZVBJKU-RYUDHWBXSA-N 1 2 268.361 0.699 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330991157 389274896 /nfs/dbraw/zinc/27/48/96/389274896.db2.gz YLPPPKPBUVAFSR-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO CC(C)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346958663 389342169 /nfs/dbraw/zinc/34/21/69/389342169.db2.gz JJVQBYJKQGAJHQ-GFCCVEGCSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(C)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346958663 389342172 /nfs/dbraw/zinc/34/21/72/389342172.db2.gz JJVQBYJKQGAJHQ-GFCCVEGCSA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000331286563 389301919 /nfs/dbraw/zinc/30/19/19/389301919.db2.gz HHYWXHQDSGLJIH-SDDRHHMPSA-N 1 2 261.281 0.172 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000368134453 389370067 /nfs/dbraw/zinc/37/00/67/389370067.db2.gz MFHDBGOFCDAQDJ-LLVKDONJSA-N 1 2 283.335 0.916 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000368134453 389370070 /nfs/dbraw/zinc/37/00/70/389370070.db2.gz MFHDBGOFCDAQDJ-LLVKDONJSA-N 1 2 283.335 0.916 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CCCCC#N ZINC000348274457 389372147 /nfs/dbraw/zinc/37/21/47/389372147.db2.gz BPWHEBQANMNANB-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCCC#N ZINC000348274457 389372151 /nfs/dbraw/zinc/37/21/51/389372151.db2.gz BPWHEBQANMNANB-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000348502525 389379784 /nfs/dbraw/zinc/37/97/84/389379784.db2.gz TUGZMONYYICULE-NSHDSACASA-N 1 2 278.312 0.396 20 30 CCEDLO COC[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660293 389386785 /nfs/dbraw/zinc/38/67/85/389386785.db2.gz IFRZQTRMOWCWQM-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660293 389386788 /nfs/dbraw/zinc/38/67/88/389386788.db2.gz IFRZQTRMOWCWQM-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660295 389386804 /nfs/dbraw/zinc/38/68/04/389386804.db2.gz IFRZQTRMOWCWQM-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660295 389386808 /nfs/dbraw/zinc/38/68/08/389386808.db2.gz IFRZQTRMOWCWQM-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000348927388 389397155 /nfs/dbraw/zinc/39/71/55/389397155.db2.gz LGPFVHVJRWEYRZ-LLVKDONJSA-N 1 2 251.334 0.633 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000348927388 389397159 /nfs/dbraw/zinc/39/71/59/389397159.db2.gz LGPFVHVJRWEYRZ-LLVKDONJSA-N 1 2 251.334 0.633 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)CCC#N ZINC000265489374 389358317 /nfs/dbraw/zinc/35/83/17/389358317.db2.gz MVRSWVFTKFATNG-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)CCC#N ZINC000265489374 389358324 /nfs/dbraw/zinc/35/83/24/389358324.db2.gz MVRSWVFTKFATNG-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO N#CC1(C(=O)NCCNc2cccc[nH+]2)CCOCC1 ZINC000265621991 389359788 /nfs/dbraw/zinc/35/97/88/389359788.db2.gz QCECJWSPCUKXCY-UHFFFAOYSA-N 1 2 274.324 0.930 20 30 CCEDLO N#Cc1ncccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000274103451 389485045 /nfs/dbraw/zinc/48/50/45/389485045.db2.gz SUPIKGINOVIMLL-LLVKDONJSA-N 1 2 262.313 0.058 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373516616 389489693 /nfs/dbraw/zinc/48/96/93/389489693.db2.gz ACHAADQRBLNITP-DGCLKSJQSA-N 1 2 250.342 0.768 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373516616 389489698 /nfs/dbraw/zinc/48/96/98/389489698.db2.gz ACHAADQRBLNITP-DGCLKSJQSA-N 1 2 250.342 0.768 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120609 389444485 /nfs/dbraw/zinc/44/44/85/389444485.db2.gz OXBZBLOQUWZRCQ-QWHCGFSZSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120609 389444489 /nfs/dbraw/zinc/44/44/89/389444489.db2.gz OXBZBLOQUWZRCQ-QWHCGFSZSA-N 1 2 270.373 0.803 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)CCn1cc[nH+]c1 ZINC000271733459 389444559 /nfs/dbraw/zinc/44/45/59/389444559.db2.gz NSCDYRHPPGDQSS-JTQLQIEISA-N 1 2 250.327 0.741 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@]3(CCSC3)C2)C1=O ZINC000335408114 389553853 /nfs/dbraw/zinc/55/38/53/389553853.db2.gz MVZZWSSYVBCDAC-TZMCWYRMSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@]3(CCSC3)C2)C1=O ZINC000335408114 389553857 /nfs/dbraw/zinc/55/38/57/389553857.db2.gz MVZZWSSYVBCDAC-TZMCWYRMSA-N 1 2 282.409 0.981 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)C1CC1 ZINC000274182227 389495727 /nfs/dbraw/zinc/49/57/27/389495727.db2.gz PAGCHEKWTADSCH-INIZCTEOSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)C1CC1 ZINC000274182227 389495732 /nfs/dbraw/zinc/49/57/32/389495732.db2.gz PAGCHEKWTADSCH-INIZCTEOSA-N 1 2 299.374 0.688 20 30 CCEDLO CC1(C)CNC(=O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000281939575 389637807 /nfs/dbraw/zinc/63/78/07/389637807.db2.gz BKFBGCZZNGRALW-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO CC1(C)CNC(=O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000281939575 389637812 /nfs/dbraw/zinc/63/78/12/389637812.db2.gz BKFBGCZZNGRALW-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)C1=O ZINC000281955911 389638837 /nfs/dbraw/zinc/63/88/37/389638837.db2.gz JYBOWUQMKJQDQU-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)C1=O ZINC000281955911 389638841 /nfs/dbraw/zinc/63/88/41/389638841.db2.gz JYBOWUQMKJQDQU-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425297212 389644430 /nfs/dbraw/zinc/64/44/30/389644430.db2.gz UQJOKGXGGDQAQF-CYBMUJFWSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000178047009 389595808 /nfs/dbraw/zinc/59/58/08/389595808.db2.gz XTJXSEZUCCJBCR-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO CCCC[C@@H]1NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414133565 389601803 /nfs/dbraw/zinc/60/18/03/389601803.db2.gz NGJQOGYQAZTKKP-NEPJUHHUSA-N 1 2 296.371 0.303 20 30 CCEDLO CCCC[C@@H]1NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414133565 389601806 /nfs/dbraw/zinc/60/18/06/389601806.db2.gz NGJQOGYQAZTKKP-NEPJUHHUSA-N 1 2 296.371 0.303 20 30 CCEDLO CCCC[C@@H]1NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414133570 389602110 /nfs/dbraw/zinc/60/21/10/389602110.db2.gz NGJQOGYQAZTKKP-RYUDHWBXSA-N 1 2 296.371 0.303 20 30 CCEDLO CCCC[C@@H]1NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414133570 389602114 /nfs/dbraw/zinc/60/21/14/389602114.db2.gz NGJQOGYQAZTKKP-RYUDHWBXSA-N 1 2 296.371 0.303 20 30 CCEDLO C[C@H](C#N)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000182868340 389719972 /nfs/dbraw/zinc/71/99/72/389719972.db2.gz PAMNQEPSOSRALE-LLVKDONJSA-N 1 2 254.334 0.120 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179363630 389653697 /nfs/dbraw/zinc/65/36/97/389653697.db2.gz URQHBWJXHBRRMY-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179363630 389653702 /nfs/dbraw/zinc/65/37/02/389653702.db2.gz URQHBWJXHBRRMY-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)OC)C1=O ZINC000282094870 389656864 /nfs/dbraw/zinc/65/68/64/389656864.db2.gz VNDVWTNQMPGLGC-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)OC)C1=O ZINC000282094870 389656868 /nfs/dbraw/zinc/65/68/68/389656868.db2.gz VNDVWTNQMPGLGC-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282285348 389660750 /nfs/dbraw/zinc/66/07/50/389660750.db2.gz RWPKKDTVKXCLCJ-LBPRGKRZSA-N 1 2 286.397 0.306 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282285348 389660754 /nfs/dbraw/zinc/66/07/54/389660754.db2.gz RWPKKDTVKXCLCJ-LBPRGKRZSA-N 1 2 286.397 0.306 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000180680100 389673248 /nfs/dbraw/zinc/67/32/48/389673248.db2.gz DKITWJKQDNYKRY-UHFFFAOYSA-N 1 2 291.355 0.485 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCC(c3nc[nH]n3)CC2)C1=O ZINC000375608160 389690987 /nfs/dbraw/zinc/69/09/87/389690987.db2.gz QGZMHRPZVJJFKO-GFCCVEGCSA-N 1 2 275.356 0.771 20 30 CCEDLO C=CCN(C)C(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000429436348 389755922 /nfs/dbraw/zinc/75/59/22/389755922.db2.gz WSFMOCJUURSRDI-UHFFFAOYSA-N 1 2 293.371 0.287 20 30 CCEDLO Cc1cc(N2CCC(O)(C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000399088942 389788147 /nfs/dbraw/zinc/78/81/47/389788147.db2.gz VVDBDDJYFOSHGY-UHFFFAOYSA-N 1 2 260.297 0.078 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430259851 389790630 /nfs/dbraw/zinc/79/06/30/389790630.db2.gz FWBYDHCBMZTSET-WDEREUQCSA-N 1 2 261.329 0.999 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666725 389833920 /nfs/dbraw/zinc/83/39/20/389833920.db2.gz IENWNISFCAUGBC-CHWSQXEVSA-N 1 2 281.400 0.962 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666725 389833922 /nfs/dbraw/zinc/83/39/22/389833922.db2.gz IENWNISFCAUGBC-CHWSQXEVSA-N 1 2 281.400 0.962 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000408213468 389835522 /nfs/dbraw/zinc/83/55/22/389835522.db2.gz HHOFWFHYOSUTDW-YPMHNXCESA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000408213468 389835527 /nfs/dbraw/zinc/83/55/27/389835527.db2.gz HHOFWFHYOSUTDW-YPMHNXCESA-N 1 2 263.341 0.660 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454064 389892082 /nfs/dbraw/zinc/89/20/82/389892082.db2.gz LJXZAZIWQQDFIT-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454064 389892086 /nfs/dbraw/zinc/89/20/86/389892086.db2.gz LJXZAZIWQQDFIT-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO N#CCCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433611636 389917262 /nfs/dbraw/zinc/91/72/62/389917262.db2.gz AGMYYIGOYXRTQW-UHFFFAOYSA-N 1 2 280.372 0.844 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445846047 389926200 /nfs/dbraw/zinc/92/62/00/389926200.db2.gz CUWZRACNCLGKRG-VIFPVBQESA-N 1 2 294.380 0.902 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445846047 389926203 /nfs/dbraw/zinc/92/62/03/389926203.db2.gz CUWZRACNCLGKRG-VIFPVBQESA-N 1 2 294.380 0.902 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420955092 390040262 /nfs/dbraw/zinc/04/02/62/390040262.db2.gz VPPANFMYSNOSHO-RYUDHWBXSA-N 1 2 283.372 0.888 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449974820 389995727 /nfs/dbraw/zinc/99/57/27/389995727.db2.gz WBPDYOOWZUFCHM-ZNMIVQPWSA-N 1 2 294.395 0.901 20 30 CCEDLO C[C@@H](Nc1cncc(C#N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000420578318 390013791 /nfs/dbraw/zinc/01/37/91/390013791.db2.gz AWNRPYZYDXQQPZ-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440278852 390034529 /nfs/dbraw/zinc/03/45/29/390034529.db2.gz BVNXEXIJPSRMOL-LLVKDONJSA-N 1 2 286.335 0.659 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440278852 390034530 /nfs/dbraw/zinc/03/45/30/390034530.db2.gz BVNXEXIJPSRMOL-LLVKDONJSA-N 1 2 286.335 0.659 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491371217 390112553 /nfs/dbraw/zinc/11/25/53/390112553.db2.gz DDRQZQWWURLZTN-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491371217 390112554 /nfs/dbraw/zinc/11/25/54/390112554.db2.gz DDRQZQWWURLZTN-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000493953867 390136907 /nfs/dbraw/zinc/13/69/07/390136907.db2.gz XLDHWMXDGCZAIY-ZYHUDNBSSA-N 1 2 253.346 0.723 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000493953867 390136910 /nfs/dbraw/zinc/13/69/10/390136910.db2.gz XLDHWMXDGCZAIY-ZYHUDNBSSA-N 1 2 253.346 0.723 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216203 390158824 /nfs/dbraw/zinc/15/88/24/390158824.db2.gz MZONXUQNLXMSIS-TZMCWYRMSA-N 1 2 297.399 0.333 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494216203 390158828 /nfs/dbraw/zinc/15/88/28/390158828.db2.gz MZONXUQNLXMSIS-TZMCWYRMSA-N 1 2 297.399 0.333 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000644194047 390160123 /nfs/dbraw/zinc/16/01/23/390160123.db2.gz FWNKMQAZQQGFHL-ZDUSSCGKSA-N 1 2 288.413 0.689 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580385863 390242511 /nfs/dbraw/zinc/24/25/11/390242511.db2.gz IFKNCNNAMSMKNA-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580385863 390242514 /nfs/dbraw/zinc/24/25/14/390242514.db2.gz IFKNCNNAMSMKNA-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO COCCCn1nccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522010 390363463 /nfs/dbraw/zinc/36/34/63/390363463.db2.gz GPFJFUSYCZJULT-AWEZNQCLSA-N 1 2 278.356 0.770 20 30 CCEDLO COCCCn1nccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522010 390363465 /nfs/dbraw/zinc/36/34/65/390363465.db2.gz GPFJFUSYCZJULT-AWEZNQCLSA-N 1 2 278.356 0.770 20 30 CCEDLO C=CCOCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000645100579 390370835 /nfs/dbraw/zinc/37/08/35/390370835.db2.gz YYCPFQCLHDEPEV-UHFFFAOYSA-N 1 2 265.361 0.433 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(C)(C)COC)CC1 ZINC000644946773 390353012 /nfs/dbraw/zinc/35/30/12/390353012.db2.gz SPYMWFVVOWEDGS-CYBMUJFWSA-N 1 2 256.390 0.966 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCn4ncnc4C3)n2c1 ZINC000546735967 390360029 /nfs/dbraw/zinc/36/00/29/390360029.db2.gz RGYXBTYXVVIMOA-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000589491148 390360397 /nfs/dbraw/zinc/36/03/97/390360397.db2.gz ZWYXDYDHGQFCRN-SNVBAGLBSA-N 1 2 267.292 0.895 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000645403512 390420591 /nfs/dbraw/zinc/42/05/91/390420591.db2.gz CEDLPVWJDGOHHZ-QWRGUYRKSA-N 1 2 264.329 0.456 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000645403512 390420593 /nfs/dbraw/zinc/42/05/93/390420593.db2.gz CEDLPVWJDGOHHZ-QWRGUYRKSA-N 1 2 264.329 0.456 20 30 CCEDLO Cc1cc(N2CCN(C(=O)CC#N)CC2)c(C#N)c[nH+]1 ZINC000517247291 390488924 /nfs/dbraw/zinc/48/89/24/390488924.db2.gz JMPRJVPHSVLURZ-UHFFFAOYSA-N 1 2 269.308 0.824 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649124039 390494146 /nfs/dbraw/zinc/49/41/46/390494146.db2.gz RGARHWMVUUYAED-MJBXVCDLSA-N 1 2 280.368 0.511 20 30 CCEDLO C[C@@H]1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482919 390455658 /nfs/dbraw/zinc/45/56/58/390455658.db2.gz MYQMRUPKTBKRGL-NTZNESFSSA-N 1 2 253.346 0.762 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1ncc2ccccc21 ZINC000555480556 390455768 /nfs/dbraw/zinc/45/57/68/390455768.db2.gz OUKXHFVTSJEIGG-HNNXBMFYSA-N 1 2 285.351 0.996 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000516573607 390483817 /nfs/dbraw/zinc/48/38/17/390483817.db2.gz AFCPZGGITIZWFY-LALPHHSUSA-N 1 2 295.383 0.926 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccnc(C#N)n1 ZINC000519642479 390522400 /nfs/dbraw/zinc/52/24/00/390522400.db2.gz CSVWRNSHLKSTMY-RYUDHWBXSA-N 1 2 273.340 0.648 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C#N ZINC000566061573 390570564 /nfs/dbraw/zinc/57/05/64/390570564.db2.gz IZNUIRRVOGACIX-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C#N ZINC000566061573 390570569 /nfs/dbraw/zinc/57/05/69/390570569.db2.gz IZNUIRRVOGACIX-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)ncn1 ZINC000566716148 390640764 /nfs/dbraw/zinc/64/07/64/390640764.db2.gz YBMPIEGJHKYQJC-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000566915724 390659086 /nfs/dbraw/zinc/65/90/86/390659086.db2.gz PJNVANAPTQFLTD-UHFFFAOYSA-N 1 2 272.312 0.297 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000566915724 390659087 /nfs/dbraw/zinc/65/90/87/390659087.db2.gz PJNVANAPTQFLTD-UHFFFAOYSA-N 1 2 272.312 0.297 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nc1 ZINC000566416671 390601042 /nfs/dbraw/zinc/60/10/42/390601042.db2.gz RSEVRPIHAXESGH-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)nc1 ZINC000566416671 390601045 /nfs/dbraw/zinc/60/10/45/390601045.db2.gz RSEVRPIHAXESGH-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO CCNS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000567688317 390710591 /nfs/dbraw/zinc/71/05/91/390710591.db2.gz NNIGFACQGLOBNF-UHFFFAOYSA-N 1 2 267.354 0.988 20 30 CCEDLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570899363 390723530 /nfs/dbraw/zinc/72/35/30/390723530.db2.gz XIRKGDFZNUGQBF-SCRDCRAPSA-N 1 2 283.372 0.531 20 30 CCEDLO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567392109 390697198 /nfs/dbraw/zinc/69/71/98/390697198.db2.gz FDQHORIZDHGITF-BZPMIXESSA-N 1 2 283.372 0.388 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCN(C(=O)C3CC3)C2)CC1 ZINC000528524481 390754263 /nfs/dbraw/zinc/75/42/63/390754263.db2.gz COUGBELYVRNPOA-LBPRGKRZSA-N 1 2 263.341 0.553 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCN(C(=O)C3CC3)C2)CC1 ZINC000528524481 390754265 /nfs/dbraw/zinc/75/42/65/390754265.db2.gz COUGBELYVRNPOA-LBPRGKRZSA-N 1 2 263.341 0.553 20 30 CCEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528623103 390763558 /nfs/dbraw/zinc/76/35/58/390763558.db2.gz SZUGHBWHELSRLE-UHFFFAOYSA-N 1 2 274.386 0.299 20 30 CCEDLO C=C[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000646917953 390740652 /nfs/dbraw/zinc/74/06/52/390740652.db2.gz KGLFGEXHVKGQAO-GFCCVEGCSA-N 1 2 277.324 0.712 20 30 CCEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528465708 390746724 /nfs/dbraw/zinc/74/67/24/390746724.db2.gz QQXICUNDHHQLHO-ZDUSSCGKSA-N 1 2 279.384 0.841 20 30 CCEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528465708 390746726 /nfs/dbraw/zinc/74/67/26/390746726.db2.gz QQXICUNDHHQLHO-ZDUSSCGKSA-N 1 2 279.384 0.841 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc2nccn12 ZINC000578016608 390859815 /nfs/dbraw/zinc/85/98/15/390859815.db2.gz DNSNPANSLXYMFC-CYBMUJFWSA-N 1 2 291.380 0.898 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000532638549 390882802 /nfs/dbraw/zinc/88/28/02/390882802.db2.gz XIKHFERTGBIEFA-OAHLLOKOSA-N 1 2 284.363 0.217 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000289422145 397443714 /nfs/dbraw/zinc/44/37/14/397443714.db2.gz PXSFAJCBNRFNMG-UHFFFAOYSA-N 1 2 294.355 0.087 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccnc(C#N)c1 ZINC000356524652 144010917 /nfs/dbraw/zinc/01/09/17/144010917.db2.gz ARSPDQLVTRLXEX-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccnc(C#N)c1 ZINC000356524652 144010918 /nfs/dbraw/zinc/01/09/18/144010918.db2.gz ARSPDQLVTRLXEX-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000548152912 286011437 /nfs/dbraw/zinc/01/14/37/286011437.db2.gz KFUIGAQONSYTRK-VXGBXAGGSA-N 1 2 260.341 0.896 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408144378 287131336 /nfs/dbraw/zinc/13/13/36/287131336.db2.gz JSQJZTOJEYURTF-GXFFZTMASA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408144378 287131339 /nfs/dbraw/zinc/13/13/39/287131339.db2.gz JSQJZTOJEYURTF-GXFFZTMASA-N 1 2 284.319 0.855 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352459007 411765577 /nfs/dbraw/zinc/76/55/77/411765577.db2.gz RVFCXQQWWFSJOP-UHFFFAOYSA-N 1 2 285.319 0.336 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)nn1 ZINC000653582946 412320493 /nfs/dbraw/zinc/32/04/93/412320493.db2.gz FMTMONHXLUOYFE-LLVKDONJSA-N 1 2 265.361 0.844 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000653616824 412323752 /nfs/dbraw/zinc/32/37/52/412323752.db2.gz GYMCRHKFMUTECH-AWEZNQCLSA-N 1 2 277.372 0.371 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)nn1 ZINC000653616824 412323756 /nfs/dbraw/zinc/32/37/56/412323756.db2.gz GYMCRHKFMUTECH-AWEZNQCLSA-N 1 2 277.372 0.371 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)nn1 ZINC000653637565 412327311 /nfs/dbraw/zinc/32/73/11/412327311.db2.gz OFERJSKRMBEVRC-YPMHNXCESA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)nn1 ZINC000653637565 412327314 /nfs/dbraw/zinc/32/73/14/412327314.db2.gz OFERJSKRMBEVRC-YPMHNXCESA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)C[C@@H](C)O)nn1 ZINC000653679115 412334501 /nfs/dbraw/zinc/33/45/01/412334501.db2.gz MQVZPJOGPHQWNT-LLVKDONJSA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)C[C@@H](C)O)nn1 ZINC000653679115 412334503 /nfs/dbraw/zinc/33/45/03/412334503.db2.gz MQVZPJOGPHQWNT-LLVKDONJSA-N 1 2 254.334 0.029 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000329109671 227302318 /nfs/dbraw/zinc/30/23/18/227302318.db2.gz QAFROWSMEBZPAA-JHJVBQTASA-N 1 2 285.388 0.778 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N(CCO)C1CC1 ZINC000330281278 228091480 /nfs/dbraw/zinc/09/14/80/228091480.db2.gz UJQASDNAZWYWHZ-SNVBAGLBSA-N 1 2 264.329 0.569 20 30 CCEDLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330330050 228148595 /nfs/dbraw/zinc/14/85/95/228148595.db2.gz WTKWFKUQAWQEHT-QMMMGPOBSA-N 1 2 251.290 0.594 20 30 CCEDLO O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330330050 228148596 /nfs/dbraw/zinc/14/85/96/228148596.db2.gz WTKWFKUQAWQEHT-QMMMGPOBSA-N 1 2 251.290 0.594 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCC1=O)N1CC[NH+](C)CC1 ZINC000330332072 228154248 /nfs/dbraw/zinc/15/42/48/228154248.db2.gz OOIOTQMIBDGWLG-NEPJUHHUSA-N 1 2 267.373 0.948 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333431051 228200431 /nfs/dbraw/zinc/20/04/31/228200431.db2.gz ULDLBFWGTXFITQ-RFQIPJPRSA-N 1 2 292.383 0.841 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333431051 228200432 /nfs/dbraw/zinc/20/04/32/228200432.db2.gz ULDLBFWGTXFITQ-RFQIPJPRSA-N 1 2 292.383 0.841 20 30 CCEDLO CS(=O)(=O)NCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000352252260 228206902 /nfs/dbraw/zinc/20/69/02/228206902.db2.gz YBOQOVQNRHVASR-UHFFFAOYSA-N 1 2 271.386 0.551 20 30 CCEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCNC(=O)CC3)o2)cc1 ZINC000075713940 544463510 /nfs/dbraw/zinc/46/35/10/544463510.db2.gz DZEYOAQPAMFBGD-UHFFFAOYSA-N 1 2 297.318 0.930 20 30 CCEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCNC(=O)CC3)o2)cc1 ZINC000075713940 544463514 /nfs/dbraw/zinc/46/35/14/544463514.db2.gz DZEYOAQPAMFBGD-UHFFFAOYSA-N 1 2 297.318 0.930 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295125 419414465 /nfs/dbraw/zinc/41/44/65/419414465.db2.gz ZCOCFGSFKVAOEJ-SECBINFHSA-N 1 2 261.329 0.108 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295125 419414475 /nfs/dbraw/zinc/41/44/75/419414475.db2.gz ZCOCFGSFKVAOEJ-SECBINFHSA-N 1 2 261.329 0.108 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328748048 545019219 /nfs/dbraw/zinc/01/92/19/545019219.db2.gz LXHBECXARWTJMQ-GFCCVEGCSA-N 1 2 294.355 0.919 20 30 CCEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1cnn(C)c1 ZINC000329797856 545026349 /nfs/dbraw/zinc/02/63/49/545026349.db2.gz FYOXWJVTRKJJGZ-AAEUAGOBSA-N 1 2 294.403 0.231 20 30 CCEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1cnn(C)c1 ZINC000329797856 545026351 /nfs/dbraw/zinc/02/63/51/545026351.db2.gz FYOXWJVTRKJJGZ-AAEUAGOBSA-N 1 2 294.403 0.231 20 30 CCEDLO COC(=O)CN(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000179394311 260046104 /nfs/dbraw/zinc/04/61/04/260046104.db2.gz LBFVQTVQAHYHRO-UHFFFAOYSA-N 1 2 258.281 0.811 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000088475190 260232576 /nfs/dbraw/zinc/23/25/76/260232576.db2.gz RKLBHDQHBOXWHK-LLVKDONJSA-N 1 2 280.353 0.445 20 30 CCEDLO Cc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000517911184 260316619 /nfs/dbraw/zinc/31/66/19/260316619.db2.gz OTKPUSCDQXEJMK-LBPRGKRZSA-N 1 2 250.302 0.865 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000249715238 261259636 /nfs/dbraw/zinc/25/96/36/261259636.db2.gz HWZQCLPZYREGSE-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000249715238 261259637 /nfs/dbraw/zinc/25/96/37/261259637.db2.gz HWZQCLPZYREGSE-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO C#C[C@H](C)N(C)c1nc(NC)[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000491780863 262039827 /nfs/dbraw/zinc/03/98/27/262039827.db2.gz LHXXXIRCHGSLIR-QWRGUYRKSA-N 1 2 272.356 0.251 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491821787 262104115 /nfs/dbraw/zinc/10/41/15/262104115.db2.gz YSWZJQBSMCVSQC-QWHCGFSZSA-N 1 2 267.373 0.664 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000336724314 262384182 /nfs/dbraw/zinc/38/41/82/262384182.db2.gz ZRFHIPFIKGOTGO-SECBINFHSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000336724314 262384184 /nfs/dbraw/zinc/38/41/84/262384184.db2.gz ZRFHIPFIKGOTGO-SECBINFHSA-N 1 2 250.302 0.162 20 30 CCEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)N(C)CCC#N ZINC000411182278 262683380 /nfs/dbraw/zinc/68/33/80/262683380.db2.gz QMCKFOKVEGEAPI-CYBMUJFWSA-N 1 2 296.415 0.985 20 30 CCEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)N(C)CCC#N ZINC000411182278 262683381 /nfs/dbraw/zinc/68/33/81/262683381.db2.gz QMCKFOKVEGEAPI-CYBMUJFWSA-N 1 2 296.415 0.985 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(CC#N)CC1 ZINC000430158978 262773702 /nfs/dbraw/zinc/77/37/02/262773702.db2.gz ZKWYKZGBDKEKFY-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CC(C)c1nc(N2CCN(CC#N)CC2)nc(N(C)C)[nH+]1 ZINC000271207159 262994749 /nfs/dbraw/zinc/99/47/49/262994749.db2.gz RGSSQWNZAXEKAO-UHFFFAOYSA-N 1 2 289.387 0.707 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000281146570 263066808 /nfs/dbraw/zinc/06/68/08/263066808.db2.gz BANNBJCPRSPHKI-AWEZNQCLSA-N 1 2 275.352 0.473 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000281146570 263066809 /nfs/dbraw/zinc/06/68/09/263066809.db2.gz BANNBJCPRSPHKI-AWEZNQCLSA-N 1 2 275.352 0.473 20 30 CCEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(F)c(F)c1 ZINC000282264182 263075597 /nfs/dbraw/zinc/07/55/97/263075597.db2.gz NYZZCKXPJJNSBK-SSDOTTSWSA-N 1 2 271.223 0.710 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282841933 263078975 /nfs/dbraw/zinc/07/89/75/263078975.db2.gz BBEDAPSVQZFCJW-XNTDXEJSSA-N 1 2 262.313 0.358 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000283089619 263080989 /nfs/dbraw/zinc/08/09/89/263080989.db2.gz WKEBHFRXEJSHPU-GHMZBOCLSA-N 1 2 285.373 0.340 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000283761901 263084166 /nfs/dbraw/zinc/08/41/66/263084166.db2.gz BAVACXQEGQEQTF-QMMMGPOBSA-N 1 2 268.273 0.389 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000293151164 263138381 /nfs/dbraw/zinc/13/83/81/263138381.db2.gz OCFVIETUJAWHPI-AAEUAGOBSA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000293151164 263138382 /nfs/dbraw/zinc/13/83/82/263138382.db2.gz OCFVIETUJAWHPI-AAEUAGOBSA-N 1 2 268.357 0.645 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ncc(C)cn2)CC1 ZINC000340670266 263281863 /nfs/dbraw/zinc/28/18/63/263281863.db2.gz HMGXJRBREZOIEM-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C=CC[C@H](CO)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000340879564 263311008 /nfs/dbraw/zinc/31/10/08/263311008.db2.gz KUDHONDDWNMEOR-JTQLQIEISA-N 1 2 251.334 0.264 20 30 CCEDLO C=CC[C@H](CO)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000340879564 263311009 /nfs/dbraw/zinc/31/10/09/263311009.db2.gz KUDHONDDWNMEOR-JTQLQIEISA-N 1 2 251.334 0.264 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000341860541 263356630 /nfs/dbraw/zinc/35/66/30/263356630.db2.gz RKCWHPUDPMUPSG-STQMWFEESA-N 1 2 285.388 0.191 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000330796227 264039976 /nfs/dbraw/zinc/03/99/76/264039976.db2.gz XJHQXNJTSHLDHS-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000330796227 264039978 /nfs/dbraw/zinc/03/99/78/264039978.db2.gz XJHQXNJTSHLDHS-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](O)[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330803059 264042073 /nfs/dbraw/zinc/04/20/73/264042073.db2.gz JSUIFBFVHMHSRW-WDEREUQCSA-N 1 2 252.318 0.500 20 30 CCEDLO C[C@H](O)[C@@H]1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330803059 264042075 /nfs/dbraw/zinc/04/20/75/264042075.db2.gz JSUIFBFVHMHSRW-WDEREUQCSA-N 1 2 252.318 0.500 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330831005 264050018 /nfs/dbraw/zinc/05/00/18/264050018.db2.gz UNTQLMGXMCZSAI-UHFFFAOYSA-N 1 2 263.345 0.389 20 30 CCEDLO CC(C)[C@@H](O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330887920 264063725 /nfs/dbraw/zinc/06/37/25/264063725.db2.gz AEYHXLMWLHLLAP-LBPRGKRZSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@@H](O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330887920 264063726 /nfs/dbraw/zinc/06/37/26/264063726.db2.gz AEYHXLMWLHLLAP-LBPRGKRZSA-N 1 2 287.404 0.618 20 30 CCEDLO CCc1nc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)co1 ZINC000330853088 264068576 /nfs/dbraw/zinc/06/85/76/264068576.db2.gz QWRQDQNRRIBEOM-UHFFFAOYSA-N 1 2 294.355 0.706 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000331136053 264134825 /nfs/dbraw/zinc/13/48/25/264134825.db2.gz IKRBSXOPIUSWPA-ZANVPECISA-N 1 2 285.344 0.453 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000331136053 264134826 /nfs/dbraw/zinc/13/48/26/264134826.db2.gz IKRBSXOPIUSWPA-ZANVPECISA-N 1 2 285.344 0.453 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000071080739 264243103 /nfs/dbraw/zinc/24/31/03/264243103.db2.gz LKCNXTKUGXEOHX-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000071080739 264243106 /nfs/dbraw/zinc/24/31/06/264243106.db2.gz LKCNXTKUGXEOHX-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768851 264243597 /nfs/dbraw/zinc/24/35/97/264243597.db2.gz WZJJRRDITXADSI-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC[N@@H+]1CCO ZINC000188821656 264251556 /nfs/dbraw/zinc/25/15/56/264251556.db2.gz CDUUKHUYQNFRQL-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC[N@H+]1CCO ZINC000188821656 264251557 /nfs/dbraw/zinc/25/15/57/264251557.db2.gz CDUUKHUYQNFRQL-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000072906881 264281227 /nfs/dbraw/zinc/28/12/27/264281227.db2.gz GQTVJAHRSLWELH-UHFFFAOYSA-N 1 2 299.330 0.912 20 30 CCEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000520589721 265861125 /nfs/dbraw/zinc/86/11/25/265861125.db2.gz FHOVPOIEXLYYJV-QMTHXVAHSA-N 1 2 283.372 0.924 20 30 CCEDLO Cc1ccnc2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn21 ZINC000514605573 266015562 /nfs/dbraw/zinc/01/55/62/266015562.db2.gz MCLQKYICYYRQRP-CYBMUJFWSA-N 1 2 287.327 0.006 20 30 CCEDLO C[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000356544117 266134040 /nfs/dbraw/zinc/13/40/40/266134040.db2.gz ZZFDMFMEFVXJGL-UPJWGTAASA-N 1 2 282.388 0.897 20 30 CCEDLO C=C[C@@H](CO)Nc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000357586911 266330765 /nfs/dbraw/zinc/33/07/65/266330765.db2.gz ZZABQJFSMNRENT-QMMMGPOBSA-N 1 2 290.323 0.440 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000357586052 266330854 /nfs/dbraw/zinc/33/08/54/266330854.db2.gz CCTASXAOZFDWKU-ZDUSSCGKSA-N 1 2 280.416 0.982 20 30 CCEDLO N#CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359042562 266526784 /nfs/dbraw/zinc/52/67/84/266526784.db2.gz MQIJHKVRUVPPLR-GFCCVEGCSA-N 1 2 266.345 0.406 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595512 267016287 /nfs/dbraw/zinc/01/62/87/267016287.db2.gz DKLDLMYDBBVDQV-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595512 267016290 /nfs/dbraw/zinc/01/62/90/267016290.db2.gz DKLDLMYDBBVDQV-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H](C)NC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000362680917 267034703 /nfs/dbraw/zinc/03/47/03/267034703.db2.gz YBHQUYOUVHNSHZ-GFCCVEGCSA-N 1 2 293.371 0.333 20 30 CCEDLO C=CCNC(=O)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367766958 267116351 /nfs/dbraw/zinc/11/63/51/267116351.db2.gz HIEQMDSZEXAQDL-NSHDSACASA-N 1 2 291.355 0.221 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccccc3[C@H]2C(N)=O)C1=O ZINC000369053521 267218837 /nfs/dbraw/zinc/21/88/37/267218837.db2.gz HFEXYPUEGSRXNK-GJZGRUSLSA-N 1 2 299.374 0.858 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@H]2C(N)=O)C1=O ZINC000369053521 267218840 /nfs/dbraw/zinc/21/88/40/267218840.db2.gz HFEXYPUEGSRXNK-GJZGRUSLSA-N 1 2 299.374 0.858 20 30 CCEDLO C=CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376419248 267975101 /nfs/dbraw/zinc/97/51/01/267975101.db2.gz FEOFIZLQCSAJMH-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000277661159 277669695 /nfs/dbraw/zinc/66/96/95/277669695.db2.gz LRJMJSQDIQHOQU-MRXNPFEDSA-N 1 2 288.391 0.972 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000345711544 278120591 /nfs/dbraw/zinc/12/05/91/278120591.db2.gz MYKVKBLMMBNQQR-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000345711544 278120592 /nfs/dbraw/zinc/12/05/92/278120592.db2.gz MYKVKBLMMBNQQR-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329388855 288710894 /nfs/dbraw/zinc/71/08/94/288710894.db2.gz RNTANRCNPQAHPE-BJJPWKGXSA-N 1 2 295.383 0.340 20 30 CCEDLO N#CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185930006 327851172 /nfs/dbraw/zinc/85/11/72/327851172.db2.gz AWFNXXUPFGVMQT-OAHLLOKOSA-N 1 2 287.363 0.960 20 30 CCEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000274184424 328209124 /nfs/dbraw/zinc/20/91/24/328209124.db2.gz KQKCEVLHBDZLIW-UHFFFAOYSA-N 1 2 262.313 0.849 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283816160 328516038 /nfs/dbraw/zinc/51/60/38/328516038.db2.gz JNCBSHWBGYSCGB-LLVKDONJSA-N 1 2 264.329 0.470 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000584214539 327064796 /nfs/dbraw/zinc/06/47/96/327064796.db2.gz FEOVWVQMJMMCOW-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000076649959 327130481 /nfs/dbraw/zinc/13/04/81/327130481.db2.gz KINVZLSGNHREMR-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000076649959 327130482 /nfs/dbraw/zinc/13/04/82/327130482.db2.gz KINVZLSGNHREMR-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569379953 327170064 /nfs/dbraw/zinc/17/00/64/327170064.db2.gz XFLDSHTVMQHBLB-SECBINFHSA-N 1 2 271.346 0.320 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569379953 327170065 /nfs/dbraw/zinc/17/00/65/327170065.db2.gz XFLDSHTVMQHBLB-SECBINFHSA-N 1 2 271.346 0.320 20 30 CCEDLO N#CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000360275274 328905846 /nfs/dbraw/zinc/90/58/46/328905846.db2.gz AKWUIEDRIBQSNT-UHFFFAOYSA-N 1 2 278.356 0.755 20 30 CCEDLO C[C@@H]1CC(NC(=O)C2([NH+]3CCOCC3)CCC2)=NO1 ZINC000360713654 328910445 /nfs/dbraw/zinc/91/04/45/328910445.db2.gz PANCXUKFDHIPTE-SNVBAGLBSA-N 1 2 267.329 0.480 20 30 CCEDLO C#CCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000377398822 329014185 /nfs/dbraw/zinc/01/41/85/329014185.db2.gz MTLLGDFXEZPZSW-UHFFFAOYSA-N 1 2 281.381 0.705 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000394733105 329130411 /nfs/dbraw/zinc/13/04/11/329130411.db2.gz CAMVHANUNOFKBR-LXVYMNJGSA-N 1 2 262.357 0.042 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000185915566 329332508 /nfs/dbraw/zinc/33/25/08/329332508.db2.gz LLAIDYFFHVOTPR-QWHCGFSZSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000188709332 329370823 /nfs/dbraw/zinc/37/08/23/329370823.db2.gz BPZLEMXRZOKEDF-CQSZACIVSA-N 1 2 298.431 0.466 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1CC1 ZINC000274180666 330103883 /nfs/dbraw/zinc/10/38/83/330103883.db2.gz OUVODYRSUKKLDE-BXUZGUMPSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1CC1 ZINC000274180666 330103884 /nfs/dbraw/zinc/10/38/84/330103884.db2.gz OUVODYRSUKKLDE-BXUZGUMPSA-N 1 2 280.368 0.788 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422591038 330149657 /nfs/dbraw/zinc/14/96/57/330149657.db2.gz QHZYTWQXSOSNCW-UHFFFAOYSA-N 1 2 261.325 0.959 20 30 CCEDLO C=C(C)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000454275375 331143402 /nfs/dbraw/zinc/14/34/02/331143402.db2.gz WSENFHBWBXVAMU-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458657945 331255979 /nfs/dbraw/zinc/25/59/79/331255979.db2.gz NTEHEBAXDDCPJI-BETUJISGSA-N 1 2 265.357 0.562 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458657945 331255980 /nfs/dbraw/zinc/25/59/80/331255980.db2.gz NTEHEBAXDDCPJI-BETUJISGSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000490913190 332128298 /nfs/dbraw/zinc/12/82/98/332128298.db2.gz CHLRHCISQKHHNB-OAHLLOKOSA-N 1 2 293.411 0.121 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000490913190 332128299 /nfs/dbraw/zinc/12/82/99/332128299.db2.gz CHLRHCISQKHHNB-OAHLLOKOSA-N 1 2 293.411 0.121 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000491119917 332151971 /nfs/dbraw/zinc/15/19/71/332151971.db2.gz KTRXXHMZZYWNRT-CYBMUJFWSA-N 1 2 252.314 0.057 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ncnn2CC)CC1 ZINC000491203159 332165264 /nfs/dbraw/zinc/16/52/64/332165264.db2.gz SUZOZEWKTCRQBM-UHFFFAOYSA-N 1 2 275.356 0.259 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000491316234 332189022 /nfs/dbraw/zinc/18/90/22/332189022.db2.gz SZMNJNKYHQLWCQ-UHFFFAOYSA-N 1 2 288.286 0.305 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000491316234 332189024 /nfs/dbraw/zinc/18/90/24/332189024.db2.gz SZMNJNKYHQLWCQ-UHFFFAOYSA-N 1 2 288.286 0.305 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000491408294 332206804 /nfs/dbraw/zinc/20/68/04/332206804.db2.gz VIBPLJKPHMDYOV-CHWSQXEVSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000491408294 332206806 /nfs/dbraw/zinc/20/68/06/332206806.db2.gz VIBPLJKPHMDYOV-CHWSQXEVSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(Cl)ccc2=O)CC1 ZINC000491484796 332219846 /nfs/dbraw/zinc/21/98/46/332219846.db2.gz KXXITQQJXMBCAJ-UHFFFAOYSA-N 1 2 293.754 0.279 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491546096 332235298 /nfs/dbraw/zinc/23/52/98/332235298.db2.gz ULOMOGVTWFGSGB-GFCCVEGCSA-N 1 2 267.373 0.313 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491546096 332235300 /nfs/dbraw/zinc/23/53/00/332235300.db2.gz ULOMOGVTWFGSGB-GFCCVEGCSA-N 1 2 267.373 0.313 20 30 CCEDLO C#CCNC(=O)C1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000491566532 332238954 /nfs/dbraw/zinc/23/89/54/332238954.db2.gz HELFHKTZLYVKNL-UHFFFAOYSA-N 1 2 289.339 0.033 20 30 CCEDLO C#CCNC(=O)C1CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000491566532 332238955 /nfs/dbraw/zinc/23/89/55/332238955.db2.gz HELFHKTZLYVKNL-UHFFFAOYSA-N 1 2 289.339 0.033 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cc(OC)ccc3C2)C1=O ZINC000491664835 332273156 /nfs/dbraw/zinc/27/31/56/332273156.db2.gz OOBLIQXSEIOBIE-HNNXBMFYSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cc(OC)ccc3C2)C1=O ZINC000491664835 332273158 /nfs/dbraw/zinc/27/31/58/332273158.db2.gz OOBLIQXSEIOBIE-HNNXBMFYSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CC[N@@H+](C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491708469 332300778 /nfs/dbraw/zinc/30/07/78/332300778.db2.gz NDLHVXQVWGXYNT-NEPJUHHUSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@H+](C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491708469 332300780 /nfs/dbraw/zinc/30/07/80/332300780.db2.gz NDLHVXQVWGXYNT-NEPJUHHUSA-N 1 2 259.371 0.534 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000491760669 332331592 /nfs/dbraw/zinc/33/15/92/332331592.db2.gz SBMCDOMQZNZJQX-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000491760669 332331593 /nfs/dbraw/zinc/33/15/93/332331593.db2.gz SBMCDOMQZNZJQX-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000491763397 332332180 /nfs/dbraw/zinc/33/21/80/332332180.db2.gz AISBOWRBLRTQKY-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000491763397 332332181 /nfs/dbraw/zinc/33/21/81/332332181.db2.gz AISBOWRBLRTQKY-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491780323 332344858 /nfs/dbraw/zinc/34/48/58/332344858.db2.gz KGULGDNJIFOULW-CHWSQXEVSA-N 1 2 266.389 0.285 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)C ZINC000491784559 332347760 /nfs/dbraw/zinc/34/77/60/332347760.db2.gz QYCLGCIQKCIIMT-CYBMUJFWSA-N 1 2 289.383 0.895 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000491795942 332354931 /nfs/dbraw/zinc/35/49/31/332354931.db2.gz YEJFEYSVYOAYLP-GFCCVEGCSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000491795942 332354932 /nfs/dbraw/zinc/35/49/32/332354932.db2.gz YEJFEYSVYOAYLP-GFCCVEGCSA-N 1 2 274.320 0.508 20 30 CCEDLO C=CCNC(=O)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492369101 332394399 /nfs/dbraw/zinc/39/43/99/332394399.db2.gz OFKGSAKMWAYCQT-AATRIKPKSA-N 1 2 262.313 0.335 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)COC ZINC000492408283 332396002 /nfs/dbraw/zinc/39/60/02/332396002.db2.gz MVGJADCANPGZSW-URWSZGRFSA-N 1 2 262.313 0.961 20 30 CCEDLO CN(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000496109673 332539074 /nfs/dbraw/zinc/53/90/74/332539074.db2.gz XXMUFBFALNVHRL-CQSZACIVSA-N 1 2 298.387 0.813 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3nc(C)ncc3C2)C1=O ZINC000520950182 333107996 /nfs/dbraw/zinc/10/79/96/333107996.db2.gz JQFWRPBMWISNHR-AWEZNQCLSA-N 1 2 272.352 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3nc(C)ncc3C2)C1=O ZINC000520950182 333107998 /nfs/dbraw/zinc/10/79/98/333107998.db2.gz JQFWRPBMWISNHR-AWEZNQCLSA-N 1 2 272.352 0.930 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000184441822 333128717 /nfs/dbraw/zinc/12/87/17/333128717.db2.gz QHILCSNIKYCUCW-KGLIPLIRSA-N 1 2 284.400 0.740 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185429578 333140568 /nfs/dbraw/zinc/14/05/68/333140568.db2.gz OGWXRGGPYLPGDB-VOJFVSQTSA-N 1 2 273.402 0.447 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185429578 333140569 /nfs/dbraw/zinc/14/05/69/333140569.db2.gz OGWXRGGPYLPGDB-VOJFVSQTSA-N 1 2 273.402 0.447 20 30 CCEDLO C=CC[NH+]1CCN(S(=O)(=O)CCCOC)CC1 ZINC000132112132 333972507 /nfs/dbraw/zinc/97/25/07/333972507.db2.gz NVXMRZNGBGPIGN-UHFFFAOYSA-N 1 2 262.375 0.156 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000076185252 334076098 /nfs/dbraw/zinc/07/60/98/334076098.db2.gz RKDHCMONSWXCGL-UHFFFAOYSA-N 1 2 290.363 0.357 20 30 CCEDLO CC(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000547359094 334083122 /nfs/dbraw/zinc/08/31/22/334083122.db2.gz YQBPUXPMWGFFLW-NSHDSACASA-N 1 2 270.296 0.940 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C(N)=O)C1 ZINC000249531552 334335945 /nfs/dbraw/zinc/33/59/45/334335945.db2.gz BBUWMRJFGADVMB-HCKVZZMMSA-N 1 2 292.383 0.381 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C(N)=O)C1 ZINC000249531552 334335946 /nfs/dbraw/zinc/33/59/46/334335946.db2.gz BBUWMRJFGADVMB-HCKVZZMMSA-N 1 2 292.383 0.381 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251941323 334372150 /nfs/dbraw/zinc/37/21/50/334372150.db2.gz UQPWIMGNZZHGFP-KBPBESRZSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251941323 334372151 /nfs/dbraw/zinc/37/21/51/334372151.db2.gz UQPWIMGNZZHGFP-KBPBESRZSA-N 1 2 282.384 0.923 20 30 CCEDLO COCC1(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000577114077 335302652 /nfs/dbraw/zinc/30/26/52/335302652.db2.gz DFDZHZHTGNKVRA-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000577728314 335393194 /nfs/dbraw/zinc/39/31/94/335393194.db2.gz AYJPTVUBMQBEQB-UHFFFAOYSA-N 1 2 289.335 0.843 20 30 CCEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NCC#N)o1 ZINC000184803817 335934289 /nfs/dbraw/zinc/93/42/89/335934289.db2.gz MAJCFZPQWGTFAL-LLVKDONJSA-N 1 2 265.313 0.759 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)[NH+]1C ZINC000157017171 524659362 /nfs/dbraw/zinc/65/93/62/524659362.db2.gz CVBQOKANQHXZKF-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CC[N@@H+](CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000332028690 526273779 /nfs/dbraw/zinc/27/37/79/526273779.db2.gz UUODFPGAGVGACV-LBPRGKRZSA-N 1 2 273.398 0.967 20 30 CCEDLO C=CC[N@H+](CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000332028690 526273782 /nfs/dbraw/zinc/27/37/82/526273782.db2.gz UUODFPGAGVGACV-LBPRGKRZSA-N 1 2 273.398 0.967 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2nc[nH+]c3c2OCCN3)C1=O ZINC000665716493 545105253 /nfs/dbraw/zinc/10/52/53/545105253.db2.gz GLJPYAJVSSQMLF-JTQLQIEISA-N 1 2 289.339 0.504 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2[nH+]cnc3c2OCCN3)C1=O ZINC000665716493 545105254 /nfs/dbraw/zinc/10/52/54/545105254.db2.gz GLJPYAJVSSQMLF-JTQLQIEISA-N 1 2 289.339 0.504 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354372173 526478399 /nfs/dbraw/zinc/47/83/99/526478399.db2.gz LVVXYISHTGTZIG-UHFFFAOYSA-N 1 2 286.335 0.985 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCC(F)(F)F)CC1 ZINC000355877139 526537233 /nfs/dbraw/zinc/53/72/33/526537233.db2.gz CXZCRNWVENZSLM-UHFFFAOYSA-N 1 2 279.306 0.859 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CCC(F)(F)F)CC1 ZINC000355877139 526537239 /nfs/dbraw/zinc/53/72/39/526537239.db2.gz CXZCRNWVENZSLM-UHFFFAOYSA-N 1 2 279.306 0.859 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347343875 526609039 /nfs/dbraw/zinc/60/90/39/526609039.db2.gz FHISVCPRRGMDOM-JOYOIKCWSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347343875 526609041 /nfs/dbraw/zinc/60/90/41/526609041.db2.gz FHISVCPRRGMDOM-JOYOIKCWSA-N 1 2 257.309 0.821 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)o1 ZINC000372740800 526612047 /nfs/dbraw/zinc/61/20/47/526612047.db2.gz NCOUTGCPVAVXTK-LLVKDONJSA-N 1 2 269.326 0.404 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)o1 ZINC000372740800 526612052 /nfs/dbraw/zinc/61/20/52/526612052.db2.gz NCOUTGCPVAVXTK-LLVKDONJSA-N 1 2 269.326 0.404 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000330043109 526624309 /nfs/dbraw/zinc/62/43/09/526624309.db2.gz DZMDFDALIFWIFU-TZMCWYRMSA-N 1 2 297.399 0.922 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCOCC2)CC1 ZINC000330269322 526624581 /nfs/dbraw/zinc/62/45/81/526624581.db2.gz RWBQJSBOZQUXAM-CQSZACIVSA-N 1 2 297.399 0.924 20 30 CCEDLO C=CCOCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347301267 526738389 /nfs/dbraw/zinc/73/83/89/526738389.db2.gz LGTHZMFWNNODOX-UHFFFAOYSA-N 1 2 282.384 0.950 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000356053584 527632270 /nfs/dbraw/zinc/63/22/70/527632270.db2.gz KVYDCZBKOIXEGQ-OCCSQVGLSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000356053584 527632277 /nfs/dbraw/zinc/63/22/77/527632277.db2.gz KVYDCZBKOIXEGQ-OCCSQVGLSA-N 1 2 270.373 0.541 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000330319439 527720673 /nfs/dbraw/zinc/72/06/73/527720673.db2.gz RHRHOWDLHDFIEO-LBPRGKRZSA-N 1 2 281.356 0.284 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000330319439 527720678 /nfs/dbraw/zinc/72/06/78/527720678.db2.gz RHRHOWDLHDFIEO-LBPRGKRZSA-N 1 2 281.356 0.284 20 30 CCEDLO C=C(C)CN(C)C(=S)NCC[NH+]1CCOCC1 ZINC000777918233 581138759 /nfs/dbraw/zinc/13/87/59/581138759.db2.gz KWXJERDIRUOLLG-UHFFFAOYSA-N 1 2 257.403 0.701 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274810 581103241 /nfs/dbraw/zinc/10/32/41/581103241.db2.gz DLADSOYJYNEVHM-NEPJUHHUSA-N 1 2 298.346 0.875 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274810 581103242 /nfs/dbraw/zinc/10/32/42/581103242.db2.gz DLADSOYJYNEVHM-NEPJUHHUSA-N 1 2 298.346 0.875 20 30 CCEDLO C=CCNC(=S)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788334168 581107440 /nfs/dbraw/zinc/10/74/40/581107440.db2.gz QPZNFYZEOFCUNE-LLVKDONJSA-N 1 2 257.403 0.699 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000788647802 581119593 /nfs/dbraw/zinc/11/95/93/581119593.db2.gz NCSUBMDDSDVUFA-UHFFFAOYSA-N 1 2 288.351 0.529 20 30 CCEDLO C#CCCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000789045300 581132266 /nfs/dbraw/zinc/13/22/66/581132266.db2.gz NREYULNLRVEQMQ-CYBMUJFWSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCOC2=O)n1 ZINC000789330135 581142283 /nfs/dbraw/zinc/14/22/83/581142283.db2.gz XAZGWTPAMYIKNL-UHFFFAOYSA-N 1 2 276.340 0.790 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCOC2=O)n1 ZINC000789330135 581142286 /nfs/dbraw/zinc/14/22/86/581142286.db2.gz XAZGWTPAMYIKNL-UHFFFAOYSA-N 1 2 276.340 0.790 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000789749375 581155400 /nfs/dbraw/zinc/15/54/00/581155400.db2.gz DUBGYAMLNBMXHX-LBPRGKRZSA-N 1 2 278.356 0.811 20 30 CCEDLO COc1cc(C=NNC2=[NH+]C[C@@H](C)N2)cc([N+](=O)[O-])c1O ZINC000779798365 581206115 /nfs/dbraw/zinc/20/61/15/581206115.db2.gz OICDWBRSXIUKLE-SSDOTTSWSA-N 1 2 293.283 0.580 20 30 CCEDLO C=C(CO)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000791308904 581213838 /nfs/dbraw/zinc/21/38/38/581213838.db2.gz CBGXJGIILOCSKK-UHFFFAOYSA-N 1 2 261.325 0.847 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792707 581252070 /nfs/dbraw/zinc/25/20/70/581252070.db2.gz YHAWOGPJKGQNAC-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792707 581252071 /nfs/dbraw/zinc/25/20/71/581252071.db2.gz YHAWOGPJKGQNAC-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OCC)n[nH]1 ZINC000781430538 581268362 /nfs/dbraw/zinc/26/83/62/581268362.db2.gz KRHLINFPIIOESK-NSHDSACASA-N 1 2 290.323 0.623 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OCC)n[nH]1 ZINC000781430538 581268363 /nfs/dbraw/zinc/26/83/63/581268363.db2.gz KRHLINFPIIOESK-NSHDSACASA-N 1 2 290.323 0.623 20 30 CCEDLO C#Cc1ccc(C(=O)O[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000782265862 581294009 /nfs/dbraw/zinc/29/40/09/581294009.db2.gz ZKAVWIMGGRJFLL-GFCCVEGCSA-N 1 2 274.320 0.940 20 30 CCEDLO C[C@@H]1CN(C)C(=O)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000793591043 581304255 /nfs/dbraw/zinc/30/42/55/581304255.db2.gz PEZKLQQQSAYJEV-LLVKDONJSA-N 1 2 283.335 0.868 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000782874552 581323910 /nfs/dbraw/zinc/32/39/10/581323910.db2.gz BEXBOMCTBXAQOV-GJZGRUSLSA-N 1 2 297.358 0.616 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000782874552 581323912 /nfs/dbraw/zinc/32/39/12/581323912.db2.gz BEXBOMCTBXAQOV-GJZGRUSLSA-N 1 2 297.358 0.616 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000783618313 581353278 /nfs/dbraw/zinc/35/32/78/581353278.db2.gz MDHIXWOTDHOGQL-TXEJJXNPSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783618313 581353279 /nfs/dbraw/zinc/35/32/79/581353279.db2.gz MDHIXWOTDHOGQL-TXEJJXNPSA-N 1 2 288.413 0.576 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000783934929 581368054 /nfs/dbraw/zinc/36/80/54/581368054.db2.gz GKBDSTSMMFUXPF-JTQLQIEISA-N 1 2 289.339 0.813 20 30 CCEDLO CC[N@H+](CCC(=O)OC)Cn1nc(CC#N)n(C)c1=S ZINC000794630405 581380604 /nfs/dbraw/zinc/38/06/04/581380604.db2.gz FNXFMTYRSROLOQ-UHFFFAOYSA-N 1 2 297.384 0.860 20 30 CCEDLO CC[N@@H+](CCC(=O)OC)Cn1nc(CC#N)n(C)c1=S ZINC000794630405 581380606 /nfs/dbraw/zinc/38/06/06/581380606.db2.gz FNXFMTYRSROLOQ-UHFFFAOYSA-N 1 2 297.384 0.860 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794986772 581393990 /nfs/dbraw/zinc/39/39/90/581393990.db2.gz MFMUKMLLTUTHPG-DGAVXFQQSA-N 1 2 299.330 0.435 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794986772 581393992 /nfs/dbraw/zinc/39/39/92/581393992.db2.gz MFMUKMLLTUTHPG-DGAVXFQQSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCOC)Cc1scnc1C ZINC000785995751 581426312 /nfs/dbraw/zinc/42/63/12/581426312.db2.gz AUZJYDZMPKETDS-UHFFFAOYSA-N 1 2 281.381 0.649 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCOC)Cc1scnc1C ZINC000785995751 581426314 /nfs/dbraw/zinc/42/63/14/581426314.db2.gz AUZJYDZMPKETDS-UHFFFAOYSA-N 1 2 281.381 0.649 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000796559810 581443681 /nfs/dbraw/zinc/44/36/81/581443681.db2.gz BKUOVBHNOQAKPU-AWEZNQCLSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000796559810 581443682 /nfs/dbraw/zinc/44/36/82/581443682.db2.gz BKUOVBHNOQAKPU-AWEZNQCLSA-N 1 2 266.341 0.006 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C1CC1 ZINC000786959321 581454617 /nfs/dbraw/zinc/45/46/17/581454617.db2.gz KIYMJLSRWNVLAN-GXTWGEPZSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000786982764 581455270 /nfs/dbraw/zinc/45/52/70/581455270.db2.gz WQUDAWXWJMJMRR-STQMWFEESA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000786982764 581455271 /nfs/dbraw/zinc/45/52/71/581455271.db2.gz WQUDAWXWJMJMRR-STQMWFEESA-N 1 2 288.413 0.117 20 30 CCEDLO CCOCCOCC[N@H+](C)Cn1cccc(C#N)c1=O ZINC000787237570 581462210 /nfs/dbraw/zinc/46/22/10/581462210.db2.gz TWTJGKXNEGCUKB-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO CCOCCOCC[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000787237570 581462211 /nfs/dbraw/zinc/46/22/11/581462211.db2.gz TWTJGKXNEGCUKB-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000787247899 581462498 /nfs/dbraw/zinc/46/24/98/581462498.db2.gz VCJKKWACCNZAEO-JQWIXIFHSA-N 1 2 275.308 0.561 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000787247899 581462500 /nfs/dbraw/zinc/46/25/00/581462500.db2.gz VCJKKWACCNZAEO-JQWIXIFHSA-N 1 2 275.308 0.561 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC000787352279 581468713 /nfs/dbraw/zinc/46/87/13/581468713.db2.gz XYGUKHMZLXPDMK-ZDUSSCGKSA-N 1 2 250.342 0.581 20 30 CCEDLO C[C@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)=NO1 ZINC000765384275 581510444 /nfs/dbraw/zinc/51/04/44/581510444.db2.gz OAGCJFFIAGVMLU-QMMMGPOBSA-N 1 2 272.268 0.514 20 30 CCEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NCCC#N ZINC000733796232 581525919 /nfs/dbraw/zinc/52/59/19/581525919.db2.gz AJBXRUURYSQDAM-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NCCC#N ZINC000733796232 581525917 /nfs/dbraw/zinc/52/59/17/581525917.db2.gz AJBXRUURYSQDAM-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754042719 581572128 /nfs/dbraw/zinc/57/21/28/581572128.db2.gz YNMODGBDHGOKHO-UHFFFAOYSA-N 1 2 251.355 0.645 20 30 CCEDLO COC[C@H](C)NC(=S)NN=Cc1c[nH+]cn1C ZINC000755526751 581644169 /nfs/dbraw/zinc/64/41/69/581644169.db2.gz PNRWTKWZJLRSDM-QMMMGPOBSA-N 1 2 255.347 0.253 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000757627851 581704682 /nfs/dbraw/zinc/70/46/82/581704682.db2.gz HLULOXDRRCVODZ-LLVKDONJSA-N 1 2 261.325 0.660 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000757627851 581704685 /nfs/dbraw/zinc/70/46/85/581704685.db2.gz HLULOXDRRCVODZ-LLVKDONJSA-N 1 2 261.325 0.660 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000769899597 581712933 /nfs/dbraw/zinc/71/29/33/581712933.db2.gz IYGVEDXLSFAWBZ-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741290464 581744141 /nfs/dbraw/zinc/74/41/41/581744141.db2.gz GEXFUMCRUUXDNI-LJQANCHMSA-N 1 2 288.413 0.102 20 30 CCEDLO COc1ccc(C[N@H+](C)CC(=O)NCC#N)cc1F ZINC000731210647 581757623 /nfs/dbraw/zinc/75/76/23/581757623.db2.gz YDTDLBLEFIIFFE-UHFFFAOYSA-N 1 2 265.288 0.906 20 30 CCEDLO COc1ccc(C[N@@H+](C)CC(=O)NCC#N)cc1F ZINC000731210647 581757626 /nfs/dbraw/zinc/75/76/26/581757626.db2.gz YDTDLBLEFIIFFE-UHFFFAOYSA-N 1 2 265.288 0.906 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000731847293 581783074 /nfs/dbraw/zinc/78/30/74/581783074.db2.gz GMLGNUPIVAZHBR-HNNXBMFYSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000731847293 581783078 /nfs/dbraw/zinc/78/30/78/581783078.db2.gz GMLGNUPIVAZHBR-HNNXBMFYSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000732056959 581800276 /nfs/dbraw/zinc/80/02/76/581800276.db2.gz YUFUGSJMYKPNET-ZDUSSCGKSA-N 1 2 296.334 0.698 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000732056959 581800280 /nfs/dbraw/zinc/80/02/80/581800280.db2.gz YUFUGSJMYKPNET-ZDUSSCGKSA-N 1 2 296.334 0.698 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000760366316 581856752 /nfs/dbraw/zinc/85/67/52/581856752.db2.gz DEMFZIJRBJKGNM-GOSISDBHSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nncn1C ZINC000733132342 581867116 /nfs/dbraw/zinc/86/71/16/581867116.db2.gz UNRQWAICAYIPSJ-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nncn1C ZINC000733132342 581867118 /nfs/dbraw/zinc/86/71/18/581867118.db2.gz UNRQWAICAYIPSJ-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000772482814 581869300 /nfs/dbraw/zinc/86/93/00/581869300.db2.gz GGVTWWRHEZTQBX-LBPRGKRZSA-N 1 2 298.350 0.846 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000772482814 581869303 /nfs/dbraw/zinc/86/93/03/581869303.db2.gz GGVTWWRHEZTQBX-LBPRGKRZSA-N 1 2 298.350 0.846 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000761112902 581889118 /nfs/dbraw/zinc/88/91/18/581889118.db2.gz DDTXOCPJBMRTCD-UHFFFAOYSA-N 1 2 297.349 0.495 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000761691802 581917750 /nfs/dbraw/zinc/91/77/50/581917750.db2.gz QVRCMYTWJKNHBB-LLVKDONJSA-N 1 2 297.355 0.226 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000761691802 581917751 /nfs/dbraw/zinc/91/77/51/581917751.db2.gz QVRCMYTWJKNHBB-LLVKDONJSA-N 1 2 297.355 0.226 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000773602145 581936067 /nfs/dbraw/zinc/93/60/67/581936067.db2.gz KWLHVSSXNJUPOI-UHFFFAOYSA-N 1 2 274.315 0.289 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000773602145 581936070 /nfs/dbraw/zinc/93/60/70/581936070.db2.gz KWLHVSSXNJUPOI-UHFFFAOYSA-N 1 2 274.315 0.289 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747693254 581949646 /nfs/dbraw/zinc/94/96/46/581949646.db2.gz MDHMAEFOBLMGLR-LBPRGKRZSA-N 1 2 257.330 0.843 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[S@@](C)=O ZINC000748373381 581972284 /nfs/dbraw/zinc/97/22/84/581972284.db2.gz YGGIRVUOBLHOBH-FTLABTOESA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[S@@](C)=O ZINC000748373381 581972286 /nfs/dbraw/zinc/97/22/86/581972286.db2.gz YGGIRVUOBLHOBH-FTLABTOESA-N 1 2 270.398 0.357 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCCOCCO)ccc1F ZINC000763427940 581998608 /nfs/dbraw/zinc/99/86/08/581998608.db2.gz WPPUGXHWGVGTCW-UHFFFAOYSA-N 1 2 256.277 0.780 20 30 CCEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@H](C)CO ZINC000749820180 582023763 /nfs/dbraw/zinc/02/37/63/582023763.db2.gz BNKQZVYNTRBSHC-SECBINFHSA-N 1 2 299.334 0.789 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn2cccnc2n1)[C@@H]1CCCO1 ZINC000775784545 582037452 /nfs/dbraw/zinc/03/74/52/582037452.db2.gz JWXJEOJIGOJLBE-STQMWFEESA-N 1 2 256.309 1.000 20 30 CCEDLO COc1ccc(C[N@H+](C)CC(=O)NCCC#N)cn1 ZINC000764372823 582043872 /nfs/dbraw/zinc/04/38/72/582043872.db2.gz PKDZNBFPMWZACX-UHFFFAOYSA-N 1 2 262.313 0.552 20 30 CCEDLO COc1ccc(C[N@@H+](C)CC(=O)NCCC#N)cn1 ZINC000764372823 582043873 /nfs/dbraw/zinc/04/38/73/582043873.db2.gz PKDZNBFPMWZACX-UHFFFAOYSA-N 1 2 262.313 0.552 20 30 CCEDLO Cc1nnc(S)n(N=Cc2c[nH+]ccc2N(C)C)c1=O ZINC000776179795 582056586 /nfs/dbraw/zinc/05/65/86/582056586.db2.gz YQHSHLHQEMOOFZ-UHFFFAOYSA-N 1 2 290.352 0.579 20 30 CCEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1CCCO1 ZINC000776235931 582064092 /nfs/dbraw/zinc/06/40/92/582064092.db2.gz UUEGVURGZKDMKP-VXGBXAGGSA-N 1 2 276.340 0.742 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(C(=O)OCC)CCC2)CC1 ZINC000751964473 582097928 /nfs/dbraw/zinc/09/79/28/582097928.db2.gz YIKDOIUYLYCROK-UHFFFAOYSA-N 1 2 278.352 0.497 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086309 582100195 /nfs/dbraw/zinc/10/01/95/582100195.db2.gz DLHZBOOHXYNKSA-GXFFZTMASA-N 1 2 285.319 0.334 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086309 582100197 /nfs/dbraw/zinc/10/01/97/582100197.db2.gz DLHZBOOHXYNKSA-GXFFZTMASA-N 1 2 285.319 0.334 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)NCCC#N)[C@@H](CC)CN1C(C)=O ZINC000752095118 582101245 /nfs/dbraw/zinc/10/12/45/582101245.db2.gz UBYMMRRQZRWYKO-KBPBESRZSA-N 1 2 294.399 0.738 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)NCCC#N)[C@@H](CC)CN1C(C)=O ZINC000752095118 582101246 /nfs/dbraw/zinc/10/12/46/582101246.db2.gz UBYMMRRQZRWYKO-KBPBESRZSA-N 1 2 294.399 0.738 20 30 CCEDLO C#CCC[NH+]1CCN(Cc2snnc2C)CC1 ZINC000844309324 613012044 /nfs/dbraw/zinc/01/20/44/613012044.db2.gz KZJQOBJGUYOXKN-UHFFFAOYSA-N 1 2 250.371 0.987 20 30 CCEDLO C#CCSCC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892584241 613012464 /nfs/dbraw/zinc/01/24/64/613012464.db2.gz YZASROAVQQRSNT-RWMBFGLXSA-N 1 2 284.425 0.967 20 30 CCEDLO C#CCSCC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892584241 613012466 /nfs/dbraw/zinc/01/24/66/613012466.db2.gz YZASROAVQQRSNT-RWMBFGLXSA-N 1 2 284.425 0.967 20 30 CCEDLO C#CCSCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000154392528 613017462 /nfs/dbraw/zinc/01/74/62/613017462.db2.gz AQTWLLMTTDEWBJ-OLZOCXBDSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923487950 613036356 /nfs/dbraw/zinc/03/63/56/613036356.db2.gz JHPJOIDWZASBMM-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000848220769 613040524 /nfs/dbraw/zinc/04/05/24/613040524.db2.gz MOOWUSRMQZCMRE-GXSJLCMTSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000798349065 613060902 /nfs/dbraw/zinc/06/09/02/613060902.db2.gz UJAQIUBUXMBLAF-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000928628740 613068888 /nfs/dbraw/zinc/06/88/88/613068888.db2.gz DRQCKNKYJCTZKC-ZDUSSCGKSA-N 1 2 251.374 0.493 20 30 CCEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C#N ZINC000801946715 614224475 /nfs/dbraw/zinc/22/44/75/614224475.db2.gz MSANUTWGAZYPCX-RYUDHWBXSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801946715 614224476 /nfs/dbraw/zinc/22/44/76/614224476.db2.gz MSANUTWGAZYPCX-RYUDHWBXSA-N 1 2 253.346 0.762 20 30 CCEDLO COc1ccc(Cn2cc(C=NNC3=[NH+]CCN3)nn2)cc1 ZINC000872386017 617263585 /nfs/dbraw/zinc/26/35/85/617263585.db2.gz XPZJROQITDOBQY-UHFFFAOYSA-N 1 2 299.338 0.218 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000801914470 617297456 /nfs/dbraw/zinc/29/74/56/617297456.db2.gz IDYOKTAGOHKROE-ZDUSSCGKSA-N 1 2 290.367 0.712 20 30 CCEDLO C#CCC1(O)CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000883143065 612972176 /nfs/dbraw/zinc/97/21/76/612972176.db2.gz AHTLWQIQDMRFLY-CYBMUJFWSA-N 1 2 290.367 0.831 20 30 CCEDLO C#CCC1(O)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000882770851 612973960 /nfs/dbraw/zinc/97/39/60/612973960.db2.gz DCQFLFCITZWVQG-UHFFFAOYSA-N 1 2 297.380 0.063 20 30 CCEDLO C#CCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852201589 612977372 /nfs/dbraw/zinc/97/73/72/612977372.db2.gz IFFRPQGLHRUGIZ-AWEZNQCLSA-N 1 2 279.384 0.906 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC000950728144 612992911 /nfs/dbraw/zinc/99/29/11/612992911.db2.gz WMIVSKLWLWVSTB-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3n2CCC3)C1 ZINC000950536417 612993023 /nfs/dbraw/zinc/99/30/23/612993023.db2.gz CXDAZXYYYURNHW-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946897 613007873 /nfs/dbraw/zinc/00/78/73/613007873.db2.gz WWVSAERZPQMAGK-OLZOCXBDSA-N 1 2 274.320 0.119 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946897 613007874 /nfs/dbraw/zinc/00/78/74/613007874.db2.gz WWVSAERZPQMAGK-OLZOCXBDSA-N 1 2 274.320 0.119 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C3CC3)nn2)CC1 ZINC000859003898 613011250 /nfs/dbraw/zinc/01/12/50/613011250.db2.gz WPHTVEPQUZINJY-UHFFFAOYSA-N 1 2 273.340 0.394 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC000883959576 613011267 /nfs/dbraw/zinc/01/12/67/613011267.db2.gz MTVYFVFMYLMYSE-UHFFFAOYSA-N 1 2 276.340 0.210 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000848220769 613040523 /nfs/dbraw/zinc/04/05/23/613040523.db2.gz MOOWUSRMQZCMRE-GXSJLCMTSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CCCOC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000867327877 613048769 /nfs/dbraw/zinc/04/87/69/613048769.db2.gz AMDNGHNHEFTLSO-CYBMUJFWSA-N 1 2 266.341 0.943 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000798460549 613057427 /nfs/dbraw/zinc/05/74/27/613057427.db2.gz HRHLXEMFMCNXFS-VXGBXAGGSA-N 1 2 276.340 0.271 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000799074494 613063092 /nfs/dbraw/zinc/06/30/92/613063092.db2.gz JUJVBBPNHKECIO-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971539051 613092113 /nfs/dbraw/zinc/09/21/13/613092113.db2.gz JDLOQPXIHLMRDP-QWHCGFSZSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971539051 613092114 /nfs/dbraw/zinc/09/21/14/613092114.db2.gz JDLOQPXIHLMRDP-QWHCGFSZSA-N 1 2 286.379 0.996 20 30 CCEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)C1CCOCC1 ZINC000852377480 613096058 /nfs/dbraw/zinc/09/60/58/613096058.db2.gz KLBCNBRHGBTEDK-CQSZACIVSA-N 1 2 290.367 0.690 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000851949683 613099902 /nfs/dbraw/zinc/09/99/02/613099902.db2.gz HOYOUCDSICMMRF-MNOVXSKESA-N 1 2 284.337 0.197 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000821771617 613109845 /nfs/dbraw/zinc/10/98/45/613109845.db2.gz HTIQJVXARBNHCT-DCAQKATOSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000821771617 613109846 /nfs/dbraw/zinc/10/98/46/613109846.db2.gz HTIQJVXARBNHCT-DCAQKATOSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H](C)C3)CC2)C1 ZINC000941593540 613115692 /nfs/dbraw/zinc/11/56/92/613115692.db2.gz QYLKAIQDKWBBKU-CABCVRRESA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC000941495305 613115723 /nfs/dbraw/zinc/11/57/23/613115723.db2.gz DGYUQHFOMWYTKV-RHSMWYFYSA-N 1 2 287.407 0.638 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923215826 613118148 /nfs/dbraw/zinc/11/81/48/613118148.db2.gz QWMJGEPIZZLFQQ-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2ncccc2O)C1 ZINC000969546700 613122142 /nfs/dbraw/zinc/12/21/42/613122142.db2.gz PTBYJLPWXPDFJU-SNVBAGLBSA-N 1 2 259.309 0.471 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812021209 613123627 /nfs/dbraw/zinc/12/36/27/613123627.db2.gz UMPMTKCETXLIFB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812021209 613123628 /nfs/dbraw/zinc/12/36/28/613123628.db2.gz UMPMTKCETXLIFB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCOCC1 ZINC000869288698 613131368 /nfs/dbraw/zinc/13/13/68/613131368.db2.gz UFAINTCDJDUAPL-JZIMQPMSSA-N 1 2 292.379 0.419 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000928654111 613135843 /nfs/dbraw/zinc/13/58/43/613135843.db2.gz NRQIKUUKDZWVIF-ZDUSSCGKSA-N 1 2 298.408 0.168 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892599613 613154840 /nfs/dbraw/zinc/15/48/40/613154840.db2.gz MCCZZDLNWGTNJE-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892599613 613154841 /nfs/dbraw/zinc/15/48/41/613154841.db2.gz MCCZZDLNWGTNJE-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000847309975 613157429 /nfs/dbraw/zinc/15/74/29/613157429.db2.gz GZYOYIIRGLRBQO-GJZGRUSLSA-N 1 2 292.427 0.677 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000884322804 613168281 /nfs/dbraw/zinc/16/82/81/613168281.db2.gz VYJNAVVVJGGUJU-MPBGBICISA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000884322804 613168283 /nfs/dbraw/zinc/16/82/83/613168283.db2.gz VYJNAVVVJGGUJU-MPBGBICISA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CC2CC2)C1 ZINC000885511374 613175868 /nfs/dbraw/zinc/17/58/68/613175868.db2.gz GWQTULZTBOVAHM-CYBMUJFWSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)CC2CC2)C1 ZINC000885511374 613175869 /nfs/dbraw/zinc/17/58/69/613175869.db2.gz GWQTULZTBOVAHM-CYBMUJFWSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(F)CC2)C1 ZINC000919874780 613176045 /nfs/dbraw/zinc/17/60/45/613176045.db2.gz FEBNDRHEKOKBSJ-LLVKDONJSA-N 1 2 274.361 0.506 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(F)CC2)C1 ZINC000919874780 613176046 /nfs/dbraw/zinc/17/60/46/613176046.db2.gz FEBNDRHEKOKBSJ-LLVKDONJSA-N 1 2 274.361 0.506 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000884263206 613187621 /nfs/dbraw/zinc/18/76/21/613187621.db2.gz FXTRZDAGDALVPE-UFYHVXEKSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000884263206 613187622 /nfs/dbraw/zinc/18/76/22/613187622.db2.gz FXTRZDAGDALVPE-UFYHVXEKSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(F)CCC2)C1 ZINC000919875023 613192838 /nfs/dbraw/zinc/19/28/38/613192838.db2.gz MJGJVSYLIBFLPT-LBPRGKRZSA-N 1 2 288.388 0.896 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(F)CCC2)C1 ZINC000919875023 613192839 /nfs/dbraw/zinc/19/28/39/613192839.db2.gz MJGJVSYLIBFLPT-LBPRGKRZSA-N 1 2 288.388 0.896 20 30 CCEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC)CC2)c1 ZINC000817843433 613198935 /nfs/dbraw/zinc/19/89/35/613198935.db2.gz XELIRBNMXQVIBD-UHFFFAOYSA-N 1 2 299.374 0.448 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000819000440 613199209 /nfs/dbraw/zinc/19/92/09/613199209.db2.gz SYFOOVVNAINNPT-IPYPFGDCSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000819000440 613199211 /nfs/dbraw/zinc/19/92/11/613199211.db2.gz SYFOOVVNAINNPT-IPYPFGDCSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000819000442 613199879 /nfs/dbraw/zinc/19/98/79/613199879.db2.gz SYFOOVVNAINNPT-VNHYZAJKSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000819000442 613199880 /nfs/dbraw/zinc/19/98/80/613199880.db2.gz SYFOOVVNAINNPT-VNHYZAJKSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc(OCCO)c1 ZINC000856285886 613203437 /nfs/dbraw/zinc/20/34/37/613203437.db2.gz VVAGVJJYZVWYJK-ZDUSSCGKSA-N 1 2 289.335 0.489 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(OCCO)c1 ZINC000856285886 613203438 /nfs/dbraw/zinc/20/34/38/613203438.db2.gz VVAGVJJYZVWYJK-ZDUSSCGKSA-N 1 2 289.335 0.489 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)OC[C@H]2C)CC1 ZINC000844389455 613205161 /nfs/dbraw/zinc/20/51/61/613205161.db2.gz JKQVGJIVDWZIOV-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)OC[C@H]2C)CC1 ZINC000844389455 613205164 /nfs/dbraw/zinc/20/51/64/613205164.db2.gz JKQVGJIVDWZIOV-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865427804 613209560 /nfs/dbraw/zinc/20/95/60/613209560.db2.gz YGXWOGJSWDEUGM-UHFFFAOYSA-N 1 2 293.298 0.981 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnn3)n2C)CC1 ZINC000908561712 613209588 /nfs/dbraw/zinc/20/95/88/613209588.db2.gz YGASCFJTPTWYBN-UHFFFAOYSA-N 1 2 283.339 0.027 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cocn3)CC2)C1 ZINC000949314643 613210219 /nfs/dbraw/zinc/21/02/19/613210219.db2.gz ZBCPZLQRVMXJBC-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cocn3)CC2)C1 ZINC000949314643 613210221 /nfs/dbraw/zinc/21/02/21/613210221.db2.gz ZBCPZLQRVMXJBC-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC000949362544 613210385 /nfs/dbraw/zinc/21/03/85/613210385.db2.gz QWYQMVHIURPPHI-GFCCVEGCSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC000949362544 613210387 /nfs/dbraw/zinc/21/03/87/613210387.db2.gz QWYQMVHIURPPHI-GFCCVEGCSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949320916 613210442 /nfs/dbraw/zinc/21/04/42/613210442.db2.gz WNFUAQDIQOAJIH-ZDUSSCGKSA-N 1 2 275.352 0.473 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949320916 613210443 /nfs/dbraw/zinc/21/04/43/613210443.db2.gz WNFUAQDIQOAJIH-ZDUSSCGKSA-N 1 2 275.352 0.473 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269707 613212394 /nfs/dbraw/zinc/21/23/94/613212394.db2.gz QQDCTKHKQVHVQK-DZGCQCFKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269707 613212395 /nfs/dbraw/zinc/21/23/95/613212395.db2.gz QQDCTKHKQVHVQK-DZGCQCFKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972295409 613212412 /nfs/dbraw/zinc/21/24/12/613212412.db2.gz TVXDVFZLTLBQEW-UKRRQHHQSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972295409 613212413 /nfs/dbraw/zinc/21/24/13/613212413.db2.gz TVXDVFZLTLBQEW-UKRRQHHQSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972614281 613213046 /nfs/dbraw/zinc/21/30/46/613213046.db2.gz KDVFKFAJHOWMTQ-JKSUJKDBSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972614281 613213047 /nfs/dbraw/zinc/21/30/47/613213047.db2.gz KDVFKFAJHOWMTQ-JKSUJKDBSA-N 1 2 292.379 0.350 20 30 CCEDLO C/C(=C\C(=O)N1CC(C)(C#N)C1)C[NH+]1CCOCC1 ZINC000907923224 613248601 /nfs/dbraw/zinc/24/86/01/613248601.db2.gz AJZYSMFOFMCCKD-KPKJPENVSA-N 1 2 263.341 0.637 20 30 CCEDLO C/C(=C\C(=O)N1CCO[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000900604106 613251116 /nfs/dbraw/zinc/25/11/16/613251116.db2.gz AKRPDMXFQVLLMZ-RPHSKFLZSA-N 1 2 279.340 0.016 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC000949787548 613294855 /nfs/dbraw/zinc/29/48/55/613294855.db2.gz MOGBSTXTOMMTME-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000951129897 613295400 /nfs/dbraw/zinc/29/54/00/613295400.db2.gz DLPQEDJUYBXWJU-GFCCVEGCSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543827 613362467 /nfs/dbraw/zinc/36/24/67/613362467.db2.gz KBAGZEWZVCULSO-STQMWFEESA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543827 613362468 /nfs/dbraw/zinc/36/24/68/613362468.db2.gz KBAGZEWZVCULSO-STQMWFEESA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000908035608 613363853 /nfs/dbraw/zinc/36/38/53/613363853.db2.gz MBTBYPCRSGDQKS-NSHDSACASA-N 1 2 293.371 0.724 20 30 CCEDLO C=C(CO)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870996166 613367288 /nfs/dbraw/zinc/36/72/88/613367288.db2.gz FALOWTUSHWTFIX-UHFFFAOYSA-N 1 2 293.392 0.800 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687368 613368457 /nfs/dbraw/zinc/36/84/57/613368457.db2.gz KTSPFSJJTUCGDL-SNVBAGLBSA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687368 613368458 /nfs/dbraw/zinc/36/84/58/613368458.db2.gz KTSPFSJJTUCGDL-SNVBAGLBSA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnon2)C1 ZINC000970620935 613372003 /nfs/dbraw/zinc/37/20/03/613372003.db2.gz YSJGCADRXQEWCX-MRVPVSSYSA-N 1 2 270.720 0.872 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)o2)C1 ZINC000969575131 613372340 /nfs/dbraw/zinc/37/23/40/613372340.db2.gz UFMREDLMFNDOOZ-VIFPVBQESA-N 1 2 299.758 0.781 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981745248 613373871 /nfs/dbraw/zinc/37/38/71/613373871.db2.gz SIVGKVZJCBMPTN-RYUDHWBXSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981745248 613373872 /nfs/dbraw/zinc/37/38/72/613373872.db2.gz SIVGKVZJCBMPTN-RYUDHWBXSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216684 613379393 /nfs/dbraw/zinc/37/93/93/613379393.db2.gz PUSIQLAQQXKOKS-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216684 613379394 /nfs/dbraw/zinc/37/93/94/613379394.db2.gz PUSIQLAQQXKOKS-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216684 613379395 /nfs/dbraw/zinc/37/93/95/613379395.db2.gz PUSIQLAQQXKOKS-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216684 613379396 /nfs/dbraw/zinc/37/93/96/613379396.db2.gz PUSIQLAQQXKOKS-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925300265 613388979 /nfs/dbraw/zinc/38/89/79/613388979.db2.gz RKPVYQSQPJYUNT-ZJUUUORDSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300265 613388980 /nfs/dbraw/zinc/38/89/80/613388980.db2.gz RKPVYQSQPJYUNT-ZJUUUORDSA-N 1 2 287.747 0.380 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931631737 613410527 /nfs/dbraw/zinc/41/05/27/613410527.db2.gz JKKYWKZCDUBHOD-MNOVXSKESA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931631737 613410529 /nfs/dbraw/zinc/41/05/29/613410529.db2.gz JKKYWKZCDUBHOD-MNOVXSKESA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000878991082 613412089 /nfs/dbraw/zinc/41/20/89/613412089.db2.gz UOVAIYSJWIWURN-VXGBXAGGSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000878991082 613412091 /nfs/dbraw/zinc/41/20/91/613412091.db2.gz UOVAIYSJWIWURN-VXGBXAGGSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)C(=O)OC ZINC000905781336 613419351 /nfs/dbraw/zinc/41/93/51/613419351.db2.gz VWYBMFJWTKSHRM-AAEUAGOBSA-N 1 2 257.330 0.625 20 30 CCEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)C(=O)OC ZINC000878506811 613420143 /nfs/dbraw/zinc/42/01/43/613420143.db2.gz AXXHLCBLZHUIRQ-DCAQKATOSA-N 1 2 254.330 0.608 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933053669 613441634 /nfs/dbraw/zinc/44/16/34/613441634.db2.gz CMKCSZMSPKNPMD-NEPJUHHUSA-N 1 2 269.341 0.720 20 30 CCEDLO C=CCCC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000928315732 613470422 /nfs/dbraw/zinc/47/04/22/613470422.db2.gz DEWFPEPQMWHSLM-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000800371052 613482107 /nfs/dbraw/zinc/48/21/07/613482107.db2.gz RBHORLGWIVAPEA-LLVKDONJSA-N 1 2 296.323 0.498 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000845636058 613484800 /nfs/dbraw/zinc/48/48/00/613484800.db2.gz SMNKXEMACBHVGG-QWHCGFSZSA-N 1 2 283.372 0.999 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000932526988 613489512 /nfs/dbraw/zinc/48/95/12/613489512.db2.gz NSUYCWSKAOQEBE-CHWSQXEVSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000932526988 613489514 /nfs/dbraw/zinc/48/95/14/613489514.db2.gz NSUYCWSKAOQEBE-CHWSQXEVSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000850410381 613492326 /nfs/dbraw/zinc/49/23/26/613492326.db2.gz LTIINFOIMGUTAV-MRVPVSSYSA-N 1 2 256.327 0.825 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838110737 613523549 /nfs/dbraw/zinc/52/35/49/613523549.db2.gz ATOOIMHIWNNUOF-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461017 613509130 /nfs/dbraw/zinc/50/91/30/613509130.db2.gz BICRJOIHCJWFAT-JSGCOSHPSA-N 1 2 278.356 0.220 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838110737 613523550 /nfs/dbraw/zinc/52/35/50/613523550.db2.gz ATOOIMHIWNNUOF-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000941380963 613529702 /nfs/dbraw/zinc/52/97/02/613529702.db2.gz UDEXXXKBCFNESV-OAHLLOKOSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC000941519975 613530171 /nfs/dbraw/zinc/53/01/71/613530171.db2.gz GYGRBSHVIUOOFO-AWEZNQCLSA-N 1 2 281.375 0.586 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972290205 613570369 /nfs/dbraw/zinc/57/03/69/613570369.db2.gz SQLIGFFFMSBLHO-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972290205 613570372 /nfs/dbraw/zinc/57/03/72/613570372.db2.gz SQLIGFFFMSBLHO-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263642 613570682 /nfs/dbraw/zinc/57/06/82/613570682.db2.gz BNHBEJTWZIZBGG-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263642 613570683 /nfs/dbraw/zinc/57/06/83/613570683.db2.gz BNHBEJTWZIZBGG-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972361580 613571195 /nfs/dbraw/zinc/57/11/95/613571195.db2.gz HLXZUIKSXIRGJC-MRXNPFEDSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972361580 613571196 /nfs/dbraw/zinc/57/11/96/613571196.db2.gz HLXZUIKSXIRGJC-MRXNPFEDSA-N 1 2 294.395 0.474 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298947 613592038 /nfs/dbraw/zinc/59/20/38/613592038.db2.gz LRSJMXJTGWYGOP-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298947 613592039 /nfs/dbraw/zinc/59/20/39/613592039.db2.gz LRSJMXJTGWYGOP-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935459 613619426 /nfs/dbraw/zinc/61/94/26/613619426.db2.gz MSZKWQGBEXIZML-STQMWFEESA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935459 613619429 /nfs/dbraw/zinc/61/94/29/613619429.db2.gz MSZKWQGBEXIZML-STQMWFEESA-N 1 2 290.367 0.072 20 30 CCEDLO CC(N=Nc1ccc(C(N)=O)nn1)c1ccc(N)[nH+]c1 ZINC000814870247 613657273 /nfs/dbraw/zinc/65/72/73/613657273.db2.gz UEWSTBHVRXBGDW-UHFFFAOYSA-N 1 2 271.284 0.389 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC000950894173 613709999 /nfs/dbraw/zinc/70/99/99/613709999.db2.gz NVRXUEZPUOTGJX-UHFFFAOYSA-N 1 2 268.748 0.867 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC000952433227 613714361 /nfs/dbraw/zinc/71/43/61/613714361.db2.gz JXCZPSWRAIFKKB-UHFFFAOYSA-N 1 2 262.313 0.057 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000957667802 613714512 /nfs/dbraw/zinc/71/45/12/613714512.db2.gz TZZOJSRAZIABNC-UHFFFAOYSA-N 1 2 262.313 0.057 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(=O)NC)n2)CC1 ZINC000957500753 613716886 /nfs/dbraw/zinc/71/68/86/613716886.db2.gz NAYHEEBFHKGQJS-UHFFFAOYSA-N 1 2 288.351 0.385 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932826058 613845064 /nfs/dbraw/zinc/84/50/64/613845064.db2.gz RVBCCAYBZQSBQZ-UHFFFAOYSA-N 1 2 280.290 0.925 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000884461584 613877368 /nfs/dbraw/zinc/87/73/68/613877368.db2.gz ISTWRAMRPWHZIU-GRYCIOLGSA-N 1 2 279.340 0.584 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000884143961 613877777 /nfs/dbraw/zinc/87/77/77/613877777.db2.gz WIWNJALKWKQFHX-AXFHLTTASA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000884316370 613877853 /nfs/dbraw/zinc/87/78/53/613877853.db2.gz QWCOKXWETRKIRN-GRYCIOLGSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000884107638 613878018 /nfs/dbraw/zinc/87/80/18/613878018.db2.gz BGYRJBUQTBSQEK-DCAQKATOSA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCSC1 ZINC000884449233 613878182 /nfs/dbraw/zinc/87/81/82/613878182.db2.gz ZIPCWSGSKIJIMF-MNOVXSKESA-N 1 2 286.397 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CCCO1 ZINC000884133945 613878328 /nfs/dbraw/zinc/87/83/28/613878328.db2.gz PUFGNRJHMUZACN-GXFFZTMASA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(CC)cn1 ZINC000902474742 613885922 /nfs/dbraw/zinc/88/59/22/613885922.db2.gz FDUZIFRVXWBVTR-UHFFFAOYSA-N 1 2 257.359 0.593 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014318 613928860 /nfs/dbraw/zinc/92/88/60/613928860.db2.gz FAUJUINTQHZHEO-KBPBESRZSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014318 613928862 /nfs/dbraw/zinc/92/88/62/613928862.db2.gz FAUJUINTQHZHEO-KBPBESRZSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000855406166 614327502 /nfs/dbraw/zinc/32/75/02/614327502.db2.gz CNEPZPHNMIQBJV-CHWSQXEVSA-N 1 2 252.358 0.871 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000855406166 614327505 /nfs/dbraw/zinc/32/75/05/614327505.db2.gz CNEPZPHNMIQBJV-CHWSQXEVSA-N 1 2 252.358 0.871 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900810631 614328365 /nfs/dbraw/zinc/32/83/65/614328365.db2.gz HIGQTNCLGBTGPV-CHWSQXEVSA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900810631 614328368 /nfs/dbraw/zinc/32/83/68/614328368.db2.gz HIGQTNCLGBTGPV-CHWSQXEVSA-N 1 2 251.374 0.396 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C)C1CC1 ZINC000931206972 614509649 /nfs/dbraw/zinc/50/96/49/614509649.db2.gz AZMHZCKVTVOHOR-OAHLLOKOSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCNC(=O)CC1(C)C)C1CC1 ZINC000931206972 614509652 /nfs/dbraw/zinc/50/96/52/614509652.db2.gz AZMHZCKVTVOHOR-OAHLLOKOSA-N 1 2 292.383 0.395 20 30 CCEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000950658223 614634885 /nfs/dbraw/zinc/63/48/85/614634885.db2.gz FZJCLGAMIITWGY-GFCCVEGCSA-N 1 2 287.367 0.502 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000615546775 614655861 /nfs/dbraw/zinc/65/58/61/614655861.db2.gz PRCNWSWHKIVKJE-CQSZACIVSA-N 1 2 298.362 0.744 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000615546775 614655863 /nfs/dbraw/zinc/65/58/63/614655863.db2.gz PRCNWSWHKIVKJE-CQSZACIVSA-N 1 2 298.362 0.744 20 30 CCEDLO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC000980849777 615207050 /nfs/dbraw/zinc/20/70/50/615207050.db2.gz NPZSJYBFENCGSG-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC000980849777 615207051 /nfs/dbraw/zinc/20/70/51/615207051.db2.gz NPZSJYBFENCGSG-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCOC(=O)C[C@@H](O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453597 615209093 /nfs/dbraw/zinc/20/90/93/615209093.db2.gz CKEWBYUMTRDVCS-LLVKDONJSA-N 1 2 284.287 0.777 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000878816236 615230160 /nfs/dbraw/zinc/23/01/60/615230160.db2.gz DOWTWVCWZKNGFU-RYUDHWBXSA-N 1 2 296.371 0.567 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879430236 615330397 /nfs/dbraw/zinc/33/03/97/615330397.db2.gz GYASSYIUPIPURY-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879430236 615330399 /nfs/dbraw/zinc/33/03/99/615330399.db2.gz GYASSYIUPIPURY-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO CCOc1cccc(N2CC[NH+](C[C@H](O)CC#N)CC2)n1 ZINC000929599037 615517051 /nfs/dbraw/zinc/51/70/51/615517051.db2.gz RSJFBOYFSFWKAP-CYBMUJFWSA-N 1 2 290.367 0.877 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059843 615599662 /nfs/dbraw/zinc/59/96/62/615599662.db2.gz ZYWFFVVOMUZQMM-CHWSQXEVSA-N 1 2 281.356 0.096 20 30 CCEDLO CCc1ccc(CNC(=O)CO[NH+]=C(N)CCO)s1 ZINC000121424092 615674056 /nfs/dbraw/zinc/67/40/56/615674056.db2.gz RMQWSBBHWSXYHZ-UHFFFAOYSA-N 1 2 285.369 0.598 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CC1 ZINC000928647090 615715162 /nfs/dbraw/zinc/71/51/62/615715162.db2.gz IIYKGVQIKYJGRY-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO Cn1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971513117 616084218 /nfs/dbraw/zinc/08/42/18/616084218.db2.gz KBCORKCPZJDRSK-HNNXBMFYSA-N 1 2 286.379 0.866 20 30 CCEDLO Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971513117 616084221 /nfs/dbraw/zinc/08/42/21/616084221.db2.gz KBCORKCPZJDRSK-HNNXBMFYSA-N 1 2 286.379 0.866 20 30 CCEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)NCCC#N ZINC000839133791 616093513 /nfs/dbraw/zinc/09/35/13/616093513.db2.gz AVPDVGVHIVUSBO-UHFFFAOYSA-N 1 2 284.360 0.473 20 30 CCEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)NCCC#N ZINC000839133791 616093514 /nfs/dbraw/zinc/09/35/14/616093514.db2.gz AVPDVGVHIVUSBO-UHFFFAOYSA-N 1 2 284.360 0.473 20 30 CCEDLO COC(CC[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000851797501 616309852 /nfs/dbraw/zinc/30/98/52/616309852.db2.gz KIGRCPPFBGIPFI-UHFFFAOYSA-N 1 2 285.388 0.543 20 30 CCEDLO COC(CC[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000851797501 616309857 /nfs/dbraw/zinc/30/98/57/616309857.db2.gz KIGRCPPFBGIPFI-UHFFFAOYSA-N 1 2 285.388 0.543 20 30 CCEDLO COC(CCN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000851797501 616309862 /nfs/dbraw/zinc/30/98/62/616309862.db2.gz KIGRCPPFBGIPFI-UHFFFAOYSA-N 1 2 285.388 0.543 20 30 CCEDLO CNC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810534641 616838574 /nfs/dbraw/zinc/83/85/74/616838574.db2.gz ZBGQQXUSOHQRJA-RNCFNFMXSA-N 1 2 269.320 0.654 20 30 CCEDLO CNC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810534641 616838576 /nfs/dbraw/zinc/83/85/76/616838576.db2.gz ZBGQQXUSOHQRJA-RNCFNFMXSA-N 1 2 269.320 0.654 20 30 CCEDLO CON=CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000809717730 617104536 /nfs/dbraw/zinc/10/45/36/617104536.db2.gz AJGLMGUXQISOCQ-WDEREUQCSA-N 1 2 250.302 0.925 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1=O ZINC000902346073 617149965 /nfs/dbraw/zinc/14/99/65/617149965.db2.gz JPYOXSRHYMGLDY-GWCFXTLKSA-N 1 2 291.351 1.000 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1=O ZINC000902346073 617149967 /nfs/dbraw/zinc/14/99/67/617149967.db2.gz JPYOXSRHYMGLDY-GWCFXTLKSA-N 1 2 291.351 1.000 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1=O ZINC000902346077 617150113 /nfs/dbraw/zinc/15/01/13/617150113.db2.gz JPYOXSRHYMGLDY-MFKMUULPSA-N 1 2 291.351 1.000 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1=O ZINC000902346077 617150115 /nfs/dbraw/zinc/15/01/15/617150115.db2.gz JPYOXSRHYMGLDY-MFKMUULPSA-N 1 2 291.351 1.000 20 30 CCEDLO O=C(NCC#CCO)NCc1ccccc1Cn1cc[nH+]c1 ZINC000923766748 625322103 /nfs/dbraw/zinc/32/21/03/625322103.db2.gz CXLRFDREACDDFQ-UHFFFAOYSA-N 1 2 298.346 0.726 20 30 CCEDLO COc1nc(N(C)C)sc1C=[NH+]N(C)C[C@H](C)O ZINC000841655743 625531298 /nfs/dbraw/zinc/53/12/98/625531298.db2.gz NZEMNTACDBODLI-QMMMGPOBSA-N 1 2 272.374 0.864 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000934781381 622860296 /nfs/dbraw/zinc/86/02/96/622860296.db2.gz RICJMHXKWGIPGK-UHFFFAOYSA-N 1 2 297.318 0.761 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1C ZINC001020538333 624505149 /nfs/dbraw/zinc/50/51/49/624505149.db2.gz DWYCZFAXDWSFLF-SCVCMEIPSA-N 1 2 289.339 0.217 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC#CCO)C1 ZINC000923770922 624536159 /nfs/dbraw/zinc/53/61/59/624536159.db2.gz DLNOKIHNYQQQLT-GFCCVEGCSA-N 1 2 276.340 0.305 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnns2)C1 ZINC001006815338 624679936 /nfs/dbraw/zinc/67/99/36/624679936.db2.gz QIVROJMQTVVEKF-VIFPVBQESA-N 1 2 252.343 0.918 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnns2)C1 ZINC001006815338 624679938 /nfs/dbraw/zinc/67/99/38/624679938.db2.gz QIVROJMQTVVEKF-VIFPVBQESA-N 1 2 252.343 0.918 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](NCC#N)C1 ZINC000970610064 624708418 /nfs/dbraw/zinc/70/84/18/624708418.db2.gz UPESCPNLQJYNMZ-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933560925 624892047 /nfs/dbraw/zinc/89/20/47/624892047.db2.gz ZJTJWTIPWXQZRR-JTQLQIEISA-N 1 2 256.265 0.927 20 30 CCEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]3CO)C2=O)cc1 ZINC000934022328 625004688 /nfs/dbraw/zinc/00/46/88/625004688.db2.gz LJVPCNYAXGPRCC-KBPBESRZSA-N 1 2 271.320 0.730 20 30 CCEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]3CO)C2=O)cc1 ZINC000934022328 625004693 /nfs/dbraw/zinc/00/46/93/625004693.db2.gz LJVPCNYAXGPRCC-KBPBESRZSA-N 1 2 271.320 0.730 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001027814386 630941595 /nfs/dbraw/zinc/94/15/95/630941595.db2.gz MJVJUSUDARLTFN-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001027814386 630941599 /nfs/dbraw/zinc/94/15/99/630941599.db2.gz MJVJUSUDARLTFN-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001027851963 630980161 /nfs/dbraw/zinc/98/01/61/630980161.db2.gz YXQGLWZFHPYYDN-SNVBAGLBSA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001027851963 630980163 /nfs/dbraw/zinc/98/01/63/630980163.db2.gz YXQGLWZFHPYYDN-SNVBAGLBSA-N 1 2 299.758 0.925 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](NCC#N)C1 ZINC000981458356 631280134 /nfs/dbraw/zinc/28/01/34/631280134.db2.gz WUFOQCBGYQFXEX-NEPJUHHUSA-N 1 2 275.356 0.503 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC#N)CC[C@@H]1C ZINC000968592732 650021644 /nfs/dbraw/zinc/02/16/44/650021644.db2.gz PKZBAPAFVMIITM-GXFFZTMASA-N 1 2 275.356 0.611 20 30 CCEDLO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C#N)cn1 ZINC000895249834 632033366 /nfs/dbraw/zinc/03/33/66/632033366.db2.gz WFGNFMMRKCOEPI-DOMZBBRYSA-N 1 2 273.384 0.730 20 30 CCEDLO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C#N)cn1 ZINC000895249834 632033375 /nfs/dbraw/zinc/03/33/75/632033375.db2.gz WFGNFMMRKCOEPI-DOMZBBRYSA-N 1 2 273.384 0.730 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325552 632058852 /nfs/dbraw/zinc/05/88/52/632058852.db2.gz SCPRNGIWZZXEIX-AAEUAGOBSA-N 1 2 281.743 0.924 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325552 632058857 /nfs/dbraw/zinc/05/88/57/632058857.db2.gz SCPRNGIWZZXEIX-AAEUAGOBSA-N 1 2 281.743 0.924 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000988825552 633119447 /nfs/dbraw/zinc/11/94/47/633119447.db2.gz MEKPCLJWDCNYPI-GWCFXTLKSA-N 1 2 288.351 0.870 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988828395 633120101 /nfs/dbraw/zinc/12/01/01/633120101.db2.gz WULDUDFDOYHGAA-GWCFXTLKSA-N 1 2 288.351 0.870 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001009204943 650139988 /nfs/dbraw/zinc/13/99/88/650139988.db2.gz RRYAJHPCYKKTER-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001009204943 650139990 /nfs/dbraw/zinc/13/99/90/650139990.db2.gz RRYAJHPCYKKTER-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001009204943 650139992 /nfs/dbraw/zinc/13/99/92/650139992.db2.gz RRYAJHPCYKKTER-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001009204943 650139994 /nfs/dbraw/zinc/13/99/94/650139994.db2.gz RRYAJHPCYKKTER-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(Cc3ccccc3)nn2)N1 ZINC000901216349 634209878 /nfs/dbraw/zinc/20/98/78/634209878.db2.gz QMDQPUAGFZRJTG-LLVKDONJSA-N 1 2 283.339 0.598 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901322350 634232418 /nfs/dbraw/zinc/23/24/18/634232418.db2.gz GQGCJOWQBKDOAF-SSUFTNFISA-N 1 2 282.384 0.566 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2snnc2C)C1 ZINC001010122498 650185673 /nfs/dbraw/zinc/18/56/73/650185673.db2.gz GAORDPQXFNRZHE-VIFPVBQESA-N 1 2 252.343 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C)C1 ZINC001010122498 650185676 /nfs/dbraw/zinc/18/56/76/650185676.db2.gz GAORDPQXFNRZHE-VIFPVBQESA-N 1 2 252.343 0.837 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)ccn1 ZINC000913452520 636810166 /nfs/dbraw/zinc/81/01/66/636810166.db2.gz HZEBHHVWLSXJAW-CYBMUJFWSA-N 1 2 282.307 0.463 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913459847 636813899 /nfs/dbraw/zinc/81/38/99/636813899.db2.gz JGILDTNYSDVREQ-CQSZACIVSA-N 1 2 298.350 0.715 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3cc(C#N)cn3C)CC[NH2+]2)cn1 ZINC000913466354 636820048 /nfs/dbraw/zinc/82/00/48/636820048.db2.gz FFUZYMCQJNCFDQ-ZDUSSCGKSA-N 1 2 298.350 0.417 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc(C)c1C#N ZINC000913556238 637169274 /nfs/dbraw/zinc/16/92/74/637169274.db2.gz UDRUCHZPUBFBRQ-AWEZNQCLSA-N 1 2 287.363 0.924 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc(C)c1C#N ZINC000913556238 637169278 /nfs/dbraw/zinc/16/92/78/637169278.db2.gz UDRUCHZPUBFBRQ-AWEZNQCLSA-N 1 2 287.363 0.924 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503641 637678008 /nfs/dbraw/zinc/67/80/08/637678008.db2.gz LAURFOPPNPREHP-ZJUUUORDSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503641 637678012 /nfs/dbraw/zinc/67/80/12/637678012.db2.gz LAURFOPPNPREHP-ZJUUUORDSA-N 1 2 271.748 0.066 20 30 CCEDLO C[C@@H]1CN(C(=O)CO[NH+]=C(N)Cc2cccnc2)CCO1 ZINC000179924969 638248339 /nfs/dbraw/zinc/24/83/39/638248339.db2.gz RRGDRYXZBYTBMP-LLVKDONJSA-N 1 2 292.339 0.160 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(COC)C1=O ZINC000182630217 638497118 /nfs/dbraw/zinc/49/71/18/638497118.db2.gz CANJHOMDUUINFI-GFCCVEGCSA-N 1 2 255.318 0.409 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(COC)C1=O ZINC000182630217 638497120 /nfs/dbraw/zinc/49/71/20/638497120.db2.gz CANJHOMDUUINFI-GFCCVEGCSA-N 1 2 255.318 0.409 20 30 CCEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnon1 ZINC001015876825 638656415 /nfs/dbraw/zinc/65/64/15/638656415.db2.gz QNYWYYVWPKZLDD-AWEZNQCLSA-N 1 2 296.330 0.925 20 30 CCEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnon1 ZINC001015876825 638656420 /nfs/dbraw/zinc/65/64/20/638656420.db2.gz QNYWYYVWPKZLDD-AWEZNQCLSA-N 1 2 296.330 0.925 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000185129055 638752405 /nfs/dbraw/zinc/75/24/05/638752405.db2.gz CKEAKHZUDZGWNN-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001014633591 650470177 /nfs/dbraw/zinc/47/01/77/650470177.db2.gz NWXAKCMCDVWMAG-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001014633591 650470178 /nfs/dbraw/zinc/47/01/78/650470178.db2.gz NWXAKCMCDVWMAG-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014708288 650481214 /nfs/dbraw/zinc/48/12/14/650481214.db2.gz VQSVSPABFWSTCS-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014708288 650481217 /nfs/dbraw/zinc/48/12/17/650481217.db2.gz VQSVSPABFWSTCS-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014870325 650497846 /nfs/dbraw/zinc/49/78/46/650497846.db2.gz TUYWDQVMGUFALK-VIFPVBQESA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014870325 650497848 /nfs/dbraw/zinc/49/78/48/650497848.db2.gz TUYWDQVMGUFALK-VIFPVBQESA-N 1 2 282.731 0.739 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014984367 650511536 /nfs/dbraw/zinc/51/15/36/650511536.db2.gz SLIWWHMERPHVHF-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015041318 650518189 /nfs/dbraw/zinc/51/81/89/650518189.db2.gz DZGNWNMZMXMCHP-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015041318 650518192 /nfs/dbraw/zinc/51/81/92/650518192.db2.gz DZGNWNMZMXMCHP-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001015265424 650545404 /nfs/dbraw/zinc/54/54/04/650545404.db2.gz VJWJPVWEGCUQBT-NSHDSACASA-N 1 2 269.308 0.662 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001015405828 650563273 /nfs/dbraw/zinc/56/32/73/650563273.db2.gz XZGUGEDQFQGVMR-NWDGAFQWSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001015405828 650563277 /nfs/dbraw/zinc/56/32/77/650563277.db2.gz XZGUGEDQFQGVMR-NWDGAFQWSA-N 1 2 286.397 0.330 20 30 CCEDLO CC#CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000801153368 640634359 /nfs/dbraw/zinc/63/43/59/640634359.db2.gz DZHGLWMJNCKHTL-UHFFFAOYSA-N 1 2 262.313 0.177 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000809571932 640900225 /nfs/dbraw/zinc/90/02/25/640900225.db2.gz GHNCASGKHJCSFQ-MRXNPFEDSA-N 1 2 284.363 0.950 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](n3cccn3)C2)c1=O ZINC000812291934 640997581 /nfs/dbraw/zinc/99/75/81/640997581.db2.gz DBMAUYRFAXXKOX-ZDUSSCGKSA-N 1 2 269.308 0.821 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H](n3cccn3)C2)c1=O ZINC000812291934 640997586 /nfs/dbraw/zinc/99/75/86/640997586.db2.gz DBMAUYRFAXXKOX-ZDUSSCGKSA-N 1 2 269.308 0.821 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001015810666 650633367 /nfs/dbraw/zinc/63/33/67/650633367.db2.gz PCQXKPUELANTTM-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001015810666 650633372 /nfs/dbraw/zinc/63/33/72/650633372.db2.gz PCQXKPUELANTTM-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO N#CCn1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000824749891 641844322 /nfs/dbraw/zinc/84/43/22/641844322.db2.gz YSGYSVUQZSEMMI-JTQLQIEISA-N 1 2 270.296 0.804 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827988462 642057717 /nfs/dbraw/zinc/05/77/17/642057717.db2.gz RGHMWYPWSXTRBZ-GFCCVEGCSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827988462 642057726 /nfs/dbraw/zinc/05/77/26/642057726.db2.gz RGHMWYPWSXTRBZ-GFCCVEGCSA-N 1 2 289.335 0.315 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000121407426 642665031 /nfs/dbraw/zinc/66/50/31/642665031.db2.gz OOFRWFKZIXSQIN-UHFFFAOYSA-N 1 2 290.323 0.294 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC(=O)NC1 ZINC001017610730 650813455 /nfs/dbraw/zinc/81/34/55/650813455.db2.gz GPGRYEHJRGOBLU-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC(=O)NC1 ZINC001017610730 650813457 /nfs/dbraw/zinc/81/34/57/650813457.db2.gz GPGRYEHJRGOBLU-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2ccnc2C1 ZINC001017680436 650817330 /nfs/dbraw/zinc/81/73/30/650817330.db2.gz GIJZMYZVWRXEPR-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2ccnc2C1 ZINC001017680436 650817332 /nfs/dbraw/zinc/81/73/32/650817332.db2.gz GIJZMYZVWRXEPR-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C1CC1 ZINC000844133806 643159920 /nfs/dbraw/zinc/15/99/20/643159920.db2.gz AMBLUTOINXMNOT-SWLSCSKDSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001017772118 650821423 /nfs/dbraw/zinc/82/14/23/650821423.db2.gz JYCCTWHMJCUGRM-APIJFGDWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001017772118 650821426 /nfs/dbraw/zinc/82/14/26/650821426.db2.gz JYCCTWHMJCUGRM-APIJFGDWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001017978467 650838454 /nfs/dbraw/zinc/83/84/54/650838454.db2.gz LUXDBUMCFINHHV-IGQOVBAYSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@@H]1C ZINC001017908428 650834404 /nfs/dbraw/zinc/83/44/04/650834404.db2.gz DHVJIDOJZXEEMO-BYNSBNAKSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@@H]1C ZINC001017908428 650834406 /nfs/dbraw/zinc/83/44/06/650834406.db2.gz DHVJIDOJZXEEMO-BYNSBNAKSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001017978467 650838456 /nfs/dbraw/zinc/83/84/56/650838456.db2.gz LUXDBUMCFINHHV-IGQOVBAYSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001017966866 650837548 /nfs/dbraw/zinc/83/75/48/650837548.db2.gz DKNDBIOIJJMZSO-LXTVHRRPSA-N 1 2 298.390 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001017966866 650837551 /nfs/dbraw/zinc/83/75/51/650837551.db2.gz DKNDBIOIJJMZSO-LXTVHRRPSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001018010058 650839679 /nfs/dbraw/zinc/83/96/79/650839679.db2.gz QCFCZLCTPKGIMX-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001018010058 650839682 /nfs/dbraw/zinc/83/96/82/650839682.db2.gz QCFCZLCTPKGIMX-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1cccc2[nH+]ccn21 ZINC000848135810 643604721 /nfs/dbraw/zinc/60/47/21/643604721.db2.gz HVRKEVZPALKKAT-SECBINFHSA-N 1 2 274.280 0.444 20 30 CCEDLO COc1nccc(C=NNCCCn2cc[nH+]c2)n1 ZINC000848416830 643634497 /nfs/dbraw/zinc/63/44/97/643634497.db2.gz ZYSBHNMOTHPDCW-UHFFFAOYSA-N 1 2 260.301 0.696 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ncccn2)cc1 ZINC000853112733 644076701 /nfs/dbraw/zinc/07/67/01/644076701.db2.gz KKECUYHQEUMZLG-CYBMUJFWSA-N 1 2 284.319 0.878 20 30 CCEDLO C[N@@H+](CC1=CCCOC1)Cn1cccc(C#N)c1=O ZINC000853562008 644121336 /nfs/dbraw/zinc/12/13/36/644121336.db2.gz BXCPYYDWQQTONV-UHFFFAOYSA-N 1 2 259.309 0.956 20 30 CCEDLO C[N@H+](CC1=CCCOC1)Cn1cccc(C#N)c1=O ZINC000853562008 644121340 /nfs/dbraw/zinc/12/13/40/644121340.db2.gz BXCPYYDWQQTONV-UHFFFAOYSA-N 1 2 259.309 0.956 20 30 CCEDLO N#CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854025576 644171655 /nfs/dbraw/zinc/17/16/55/644171655.db2.gz QHAXBVYVADPCPH-NSHDSACASA-N 1 2 252.318 0.016 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(C#N)nc1 ZINC000860249881 644783471 /nfs/dbraw/zinc/78/34/71/644783471.db2.gz AOBJGKVEJHEXKE-GFCCVEGCSA-N 1 2 289.335 0.760 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365545 650966278 /nfs/dbraw/zinc/96/62/78/650966278.db2.gz GOKHXYLBKHJAOB-QWRGUYRKSA-N 1 2 273.340 0.544 20 30 CCEDLO O=C1CN=C(N[NH+]=C2CCCNc3ccccc32)N1 ZINC000863175483 645065371 /nfs/dbraw/zinc/06/53/71/645065371.db2.gz HIJQILLUDMYJTD-UHFFFAOYSA-N 1 2 257.297 0.672 20 30 CCEDLO C[C@@H]([NH2+]CCc1nnnn1C)c1cccc(C#N)c1O ZINC000866288310 645513986 /nfs/dbraw/zinc/51/39/86/645513986.db2.gz GFYGXWYRMZKAFK-SECBINFHSA-N 1 2 272.312 0.681 20 30 CCEDLO Cc1cccc(C#N)c1S(=O)(=O)NCC[NH+]1CCC1 ZINC000872468006 646267539 /nfs/dbraw/zinc/26/75/39/646267539.db2.gz ZYOKDPKFHBWGLL-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO N#CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000877484144 646819464 /nfs/dbraw/zinc/81/94/64/646819464.db2.gz WCBLMRYPSHNACZ-UHFFFAOYSA-N 1 2 273.745 0.991 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CCO1 ZINC000878777001 646977277 /nfs/dbraw/zinc/97/72/77/646977277.db2.gz UWPBZQDGRHVSOQ-HZSPNIEDSA-N 1 2 294.399 0.152 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CCO1 ZINC000878777001 646977282 /nfs/dbraw/zinc/97/72/82/646977282.db2.gz UWPBZQDGRHVSOQ-HZSPNIEDSA-N 1 2 294.399 0.152 20 30 CCEDLO N#CCC1(C[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)CC1 ZINC000879723912 647102885 /nfs/dbraw/zinc/10/28/85/647102885.db2.gz CHECSEWAELPUSQ-VXGBXAGGSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCC1(C[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)CC1 ZINC000879723912 647102887 /nfs/dbraw/zinc/10/28/87/647102887.db2.gz CHECSEWAELPUSQ-VXGBXAGGSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879996539 647142380 /nfs/dbraw/zinc/14/23/80/647142380.db2.gz QDJJMYXRMWRDNZ-ZDUSSCGKSA-N 1 2 277.299 0.919 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879996539 647142383 /nfs/dbraw/zinc/14/23/83/647142383.db2.gz QDJJMYXRMWRDNZ-ZDUSSCGKSA-N 1 2 277.299 0.919 20 30 CCEDLO N#Cc1c(Cl)nsc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000882684020 647434422 /nfs/dbraw/zinc/43/44/22/647434422.db2.gz DYWQWIBVBIQXKA-UHFFFAOYSA-N 1 2 297.771 0.336 20 30 CCEDLO N#CC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)(F)F ZINC000928802895 648661955 /nfs/dbraw/zinc/66/19/55/648661955.db2.gz LNVREJOCHJCKEV-SYBPUXJVSA-N 1 2 291.273 0.836 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000930041839 648814562 /nfs/dbraw/zinc/81/45/62/648814562.db2.gz XIVOQFGQBHFKNO-UHFFFAOYSA-N 1 2 289.335 0.317 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOC2CCSCC2)CC1 ZINC000930630181 648884468 /nfs/dbraw/zinc/88/44/68/648884468.db2.gz IRQOJSAZJCQMCE-UHFFFAOYSA-N 1 2 297.424 0.956 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931450194 648991717 /nfs/dbraw/zinc/99/17/17/648991717.db2.gz RVSASAOUKNGXKS-UHFFFAOYSA-N 1 2 262.313 0.884 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000934511730 649177786 /nfs/dbraw/zinc/17/77/86/649177786.db2.gz XWYIGHZWICOXQC-VXGBXAGGSA-N 1 2 281.356 0.335 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000934511730 649177789 /nfs/dbraw/zinc/17/77/89/649177789.db2.gz XWYIGHZWICOXQC-VXGBXAGGSA-N 1 2 281.356 0.335 20 30 CCEDLO N#CC1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000935783771 649260666 /nfs/dbraw/zinc/26/06/66/649260666.db2.gz KIWCXGIASRKMQY-OLZOCXBDSA-N 1 2 293.367 0.286 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C ZINC001017358357 649749226 /nfs/dbraw/zinc/74/92/26/649749226.db2.gz UIEMVYVFAAFYJW-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C ZINC001017358357 649749227 /nfs/dbraw/zinc/74/92/27/649749227.db2.gz UIEMVYVFAAFYJW-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccn1 ZINC001017375502 649808388 /nfs/dbraw/zinc/80/83/88/649808388.db2.gz NVQLXABWMSILNB-MELADBBJSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccn1 ZINC001017375502 649808390 /nfs/dbraw/zinc/80/83/90/649808390.db2.gz NVQLXABWMSILNB-MELADBBJSA-N 1 2 272.352 0.753 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230532471 805612995 /nfs/dbraw/zinc/61/29/95/805612995.db2.gz MIDKASKGPGANTM-CYBMUJFWSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230532471 805612998 /nfs/dbraw/zinc/61/29/98/805612998.db2.gz MIDKASKGPGANTM-CYBMUJFWSA-N 1 2 280.372 0.301 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230563262 805624221 /nfs/dbraw/zinc/62/42/21/805624221.db2.gz ZFSBFNDITFQYTQ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230563262 805624225 /nfs/dbraw/zinc/62/42/25/805624225.db2.gz ZFSBFNDITFQYTQ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230599606 805631048 /nfs/dbraw/zinc/63/10/48/805631048.db2.gz SJYVBWPTIXOULA-GFCCVEGCSA-N 1 2 270.348 0.917 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230599606 805631050 /nfs/dbraw/zinc/63/10/50/805631050.db2.gz SJYVBWPTIXOULA-GFCCVEGCSA-N 1 2 270.348 0.917 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H](C)CC)CC1 ZINC001266279433 790387257 /nfs/dbraw/zinc/38/72/57/790387257.db2.gz PWZFQUQINDLNPG-AWEZNQCLSA-N 1 2 265.401 0.790 20 30 CCEDLO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)C2)cn1 ZINC001266319010 790498353 /nfs/dbraw/zinc/49/83/53/790498353.db2.gz FSSLQXMNNROTAH-HNNXBMFYSA-N 1 2 284.363 0.889 20 30 CCEDLO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)C2)cn1 ZINC001266319010 790498357 /nfs/dbraw/zinc/49/83/57/790498357.db2.gz FSSLQXMNNROTAH-HNNXBMFYSA-N 1 2 284.363 0.889 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266344445 790552052 /nfs/dbraw/zinc/55/20/52/790552052.db2.gz JQEDRXQGNCZXQG-LBPRGKRZSA-N 1 2 288.413 0.435 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266344445 790552057 /nfs/dbraw/zinc/55/20/57/790552057.db2.gz JQEDRXQGNCZXQG-LBPRGKRZSA-N 1 2 288.413 0.435 20 30 CCEDLO C[N@H+](CCNC(=O)C1CCC=CCC1)CC(=O)NCC#N ZINC001266359990 790585594 /nfs/dbraw/zinc/58/55/94/790585594.db2.gz NESLXQCFYYLRLT-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C[N@@H+](CCNC(=O)C1CCC=CCC1)CC(=O)NCC#N ZINC001266359990 790585602 /nfs/dbraw/zinc/58/56/02/790585602.db2.gz NESLXQCFYYLRLT-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001266477076 790772428 /nfs/dbraw/zinc/77/24/28/790772428.db2.gz IQWAOJMWPXLHHK-NEPJUHHUSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001266477076 790772438 /nfs/dbraw/zinc/77/24/38/790772438.db2.gz IQWAOJMWPXLHHK-NEPJUHHUSA-N 1 2 283.347 0.065 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419523 790952004 /nfs/dbraw/zinc/95/20/04/790952004.db2.gz IPFHQADSCXCWSK-UHFFFAOYSA-N 1 2 298.350 0.515 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCOC1 ZINC001231103248 805729598 /nfs/dbraw/zinc/72/95/98/805729598.db2.gz OGUSWUJZJZAVMK-LSDHHAIUSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCOC1 ZINC001231103248 805729603 /nfs/dbraw/zinc/72/96/03/805729603.db2.gz OGUSWUJZJZAVMK-LSDHHAIUSA-N 1 2 294.395 0.596 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249463 805760759 /nfs/dbraw/zinc/76/07/59/805760759.db2.gz ZYXNAUCONUNZKS-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249463 805760767 /nfs/dbraw/zinc/76/07/67/805760767.db2.gz ZYXNAUCONUNZKS-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)ncn1 ZINC001231292495 805769685 /nfs/dbraw/zinc/76/96/85/805769685.db2.gz CWNGYWMIPILFKZ-RISCZKNCSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)ncn1 ZINC001231292495 805769690 /nfs/dbraw/zinc/76/96/90/805769690.db2.gz CWNGYWMIPILFKZ-RISCZKNCSA-N 1 2 287.367 0.977 20 30 CCEDLO Cn1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1C#N ZINC001231357004 805780543 /nfs/dbraw/zinc/78/05/43/805780543.db2.gz WEPVAODTFIVVBG-NJFCNUMCSA-N 1 2 260.297 0.283 20 30 CCEDLO Cn1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1C#N ZINC001231357004 805780547 /nfs/dbraw/zinc/78/05/47/805780547.db2.gz WEPVAODTFIVVBG-NJFCNUMCSA-N 1 2 260.297 0.283 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC001231404780 805793673 /nfs/dbraw/zinc/79/36/73/805793673.db2.gz CKDUEYZXPKYWOJ-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC001231404780 805793677 /nfs/dbraw/zinc/79/36/77/805793677.db2.gz CKDUEYZXPKYWOJ-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001277570303 805857490 /nfs/dbraw/zinc/85/74/90/805857490.db2.gz DDXDHRLDXUDMDB-VXGBXAGGSA-N 1 2 270.373 0.491 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232673424 805967736 /nfs/dbraw/zinc/96/77/36/805967736.db2.gz FWYWVJNIGWXTMO-UHFFFAOYSA-N 1 2 289.335 0.554 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232673424 805967742 /nfs/dbraw/zinc/96/77/42/805967742.db2.gz FWYWVJNIGWXTMO-UHFFFAOYSA-N 1 2 289.335 0.554 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001232673459 805968248 /nfs/dbraw/zinc/96/82/48/805968248.db2.gz HAJWSJWYWDPTRN-FZMZJTMJSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001232673459 805968251 /nfs/dbraw/zinc/96/82/51/805968251.db2.gz HAJWSJWYWDPTRN-FZMZJTMJSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1 ZINC001232674681 805969496 /nfs/dbraw/zinc/96/94/96/805969496.db2.gz CMCKTFMFSPGJQV-OAHLLOKOSA-N 1 2 271.320 0.976 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c1 ZINC001232674681 805969501 /nfs/dbraw/zinc/96/95/01/805969501.db2.gz CMCKTFMFSPGJQV-OAHLLOKOSA-N 1 2 271.320 0.976 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001232674679 805969709 /nfs/dbraw/zinc/96/97/09/805969709.db2.gz CMCKTFMFSPGJQV-HNNXBMFYSA-N 1 2 271.320 0.976 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001232674679 805969714 /nfs/dbraw/zinc/96/97/14/805969714.db2.gz CMCKTFMFSPGJQV-HNNXBMFYSA-N 1 2 271.320 0.976 20 30 CCEDLO C[C@@]1(O)COCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674175 805970103 /nfs/dbraw/zinc/97/01/03/805970103.db2.gz SNCVOMOVNUPDDI-AWEZNQCLSA-N 1 2 262.309 0.847 20 30 CCEDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674175 805970106 /nfs/dbraw/zinc/97/01/06/805970106.db2.gz SNCVOMOVNUPDDI-AWEZNQCLSA-N 1 2 262.309 0.847 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041854904 791162032 /nfs/dbraw/zinc/16/20/32/791162032.db2.gz BGOLIINODUQMSN-CQSZACIVSA-N 1 2 273.340 0.331 20 30 CCEDLO CCOC(=O)CN(CCC#N)Cc1cccc(N)[nH+]1 ZINC001233372656 806050142 /nfs/dbraw/zinc/05/01/42/806050142.db2.gz ZHQLCYYCNJKPPA-UHFFFAOYSA-N 1 2 262.313 0.943 20 30 CCEDLO COC(=O)C1(C#N)CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233373287 806050215 /nfs/dbraw/zinc/05/02/15/806050215.db2.gz ASEMAILYCAALEH-UHFFFAOYSA-N 1 2 274.324 0.943 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001266941475 791376392 /nfs/dbraw/zinc/37/63/92/791376392.db2.gz FPKPKJHOKTVBNH-JTQLQIEISA-N 1 2 295.387 0.305 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001267197789 791659196 /nfs/dbraw/zinc/65/91/96/791659196.db2.gz SSCMILCKHOGQNY-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)NCC ZINC001267197789 791659202 /nfs/dbraw/zinc/65/92/02/791659202.db2.gz SSCMILCKHOGQNY-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)CC ZINC001267214097 791685076 /nfs/dbraw/zinc/68/50/76/791685076.db2.gz KREGTNIJDQSRBG-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)CC ZINC001267214097 791685080 /nfs/dbraw/zinc/68/50/80/791685080.db2.gz KREGTNIJDQSRBG-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)CCC1 ZINC001267216620 791686485 /nfs/dbraw/zinc/68/64/85/791686485.db2.gz ZKRJLLHGAXSZLS-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(=O)NCC#N)CCC1 ZINC001267216620 791686491 /nfs/dbraw/zinc/68/64/91/791686491.db2.gz ZKRJLLHGAXSZLS-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925567 806147520 /nfs/dbraw/zinc/14/75/20/806147520.db2.gz JZZBLYHFVTVBNP-KGLIPLIRSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925567 806147523 /nfs/dbraw/zinc/14/75/23/806147523.db2.gz JZZBLYHFVTVBNP-KGLIPLIRSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCCC ZINC001233948455 806155570 /nfs/dbraw/zinc/15/55/70/806155570.db2.gz WBXLLMGOAKJFTI-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCCC ZINC001233948455 806155573 /nfs/dbraw/zinc/15/55/73/806155573.db2.gz WBXLLMGOAKJFTI-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234079585 806180060 /nfs/dbraw/zinc/18/00/60/806180060.db2.gz YWFOGZVBXVTLLT-RYUDHWBXSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234079585 806180064 /nfs/dbraw/zinc/18/00/64/806180064.db2.gz YWFOGZVBXVTLLT-RYUDHWBXSA-N 1 2 286.322 0.824 20 30 CCEDLO Cc1nonc1C[N@H+](C)CCCNC(=O)CSCC#N ZINC001234146476 806190004 /nfs/dbraw/zinc/19/00/04/806190004.db2.gz KIZOUQJNWMBLAS-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO Cc1nonc1C[N@@H+](C)CCCNC(=O)CSCC#N ZINC001234146476 806190008 /nfs/dbraw/zinc/19/00/08/806190008.db2.gz KIZOUQJNWMBLAS-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234160490 806193027 /nfs/dbraw/zinc/19/30/27/806193027.db2.gz HLQVUIAPOUEMCM-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234160490 806193034 /nfs/dbraw/zinc/19/30/34/806193034.db2.gz HLQVUIAPOUEMCM-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001234170045 806193619 /nfs/dbraw/zinc/19/36/19/806193619.db2.gz HSODABNYKWYBQD-UONOGXRCSA-N 1 2 291.395 0.409 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001234170045 806193624 /nfs/dbraw/zinc/19/36/24/806193624.db2.gz HSODABNYKWYBQD-UONOGXRCSA-N 1 2 291.395 0.409 20 30 CCEDLO CCN(CC#N)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267245834 793237130 /nfs/dbraw/zinc/23/71/30/793237130.db2.gz NBGHBCKTCAPSTF-UHFFFAOYSA-N 1 2 277.372 0.888 20 30 CCEDLO N#CCNC[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277883565 806299266 /nfs/dbraw/zinc/29/92/66/806299266.db2.gz KJVBJBSIOIFFKT-OCCSQVGLSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]21 ZINC001277936550 806404390 /nfs/dbraw/zinc/40/43/90/806404390.db2.gz KMZNGDQJLBXNAW-CMPLNLGQSA-N 1 2 287.323 0.242 20 30 CCEDLO N#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]21 ZINC001277936550 806404393 /nfs/dbraw/zinc/40/43/93/806404393.db2.gz KMZNGDQJLBXNAW-CMPLNLGQSA-N 1 2 287.323 0.242 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001277962466 806492883 /nfs/dbraw/zinc/49/28/83/806492883.db2.gz ISMGDOKPMPKPBM-GHMZBOCLSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001277962466 806492887 /nfs/dbraw/zinc/49/28/87/806492887.db2.gz ISMGDOKPMPKPBM-GHMZBOCLSA-N 1 2 263.345 0.548 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1cnn(CC)n1 ZINC001235698893 806493713 /nfs/dbraw/zinc/49/37/13/806493713.db2.gz OQDKSLCSPHFBLN-UHFFFAOYSA-N 1 2 295.387 0.439 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1cnn(CC)n1 ZINC001235698893 806493717 /nfs/dbraw/zinc/49/37/17/806493717.db2.gz OQDKSLCSPHFBLN-UHFFFAOYSA-N 1 2 295.387 0.439 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121405905 799042491 /nfs/dbraw/zinc/04/24/91/799042491.db2.gz QPVJHSCJEHDYSZ-BXUZGUMPSA-N 1 2 294.355 0.001 20 30 CCEDLO C=CCCC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC001122252010 799180614 /nfs/dbraw/zinc/18/06/14/799180614.db2.gz HZPUYODFDSZOQE-IUCAKERBSA-N 1 2 278.299 0.983 20 30 CCEDLO C=C(CC(C)C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001123644873 799447038 /nfs/dbraw/zinc/44/70/38/799447038.db2.gz HFSPOVGIBWRSRH-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C(CC(C)C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001123644873 799447046 /nfs/dbraw/zinc/44/70/46/799447046.db2.gz HFSPOVGIBWRSRH-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nccnc2N)C1 ZINC001140016757 799870929 /nfs/dbraw/zinc/87/09/29/799870929.db2.gz WWWKDMIIRTZIQW-LLVKDONJSA-N 1 2 291.355 0.935 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nccnc2N)C1 ZINC001140016757 799870935 /nfs/dbraw/zinc/87/09/35/799870935.db2.gz WWWKDMIIRTZIQW-LLVKDONJSA-N 1 2 291.355 0.935 20 30 CCEDLO CC1(C)CN(Cc2ccc(C#N)nc2)CC[N@@H+]1CC(N)=O ZINC001140544604 799921603 /nfs/dbraw/zinc/92/16/03/799921603.db2.gz WACIWHRBVGFTCA-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2ccc(C#N)nc2)CC[N@H+]1CC(N)=O ZINC001140544604 799921608 /nfs/dbraw/zinc/92/16/08/799921608.db2.gz WACIWHRBVGFTCA-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)C[N@H+](Cc2ccc(C#N)nc2)CCN1CC(N)=O ZINC001140544604 799921613 /nfs/dbraw/zinc/92/16/13/799921613.db2.gz WACIWHRBVGFTCA-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)nc2)CCN1CC(N)=O ZINC001140544604 799921618 /nfs/dbraw/zinc/92/16/18/799921618.db2.gz WACIWHRBVGFTCA-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001278256590 806794352 /nfs/dbraw/zinc/79/43/52/806794352.db2.gz IQZLDUOWWZGZSP-VXGBXAGGSA-N 1 2 287.385 0.025 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001278256590 806794356 /nfs/dbraw/zinc/79/43/56/806794356.db2.gz IQZLDUOWWZGZSP-VXGBXAGGSA-N 1 2 287.385 0.025 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001151358373 800418403 /nfs/dbraw/zinc/41/84/03/800418403.db2.gz FMENTEDXCJGIPI-AVGNSLFASA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001151358373 800418407 /nfs/dbraw/zinc/41/84/07/800418407.db2.gz FMENTEDXCJGIPI-AVGNSLFASA-N 1 2 268.357 0.103 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nncs1 ZINC001153086221 800595178 /nfs/dbraw/zinc/59/51/78/800595178.db2.gz SFOMBGUZQKIRNQ-UHFFFAOYSA-N 1 2 270.358 0.337 20 30 CCEDLO CCCc1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155827721 801060460 /nfs/dbraw/zinc/06/04/60/801060460.db2.gz FTMAYBXLHOIFQE-JTQLQIEISA-N 1 2 279.344 0.778 20 30 CCEDLO N#CCc1cc[nH+]c(NCCNC(=O)N2CCOCC2)c1 ZINC001157109101 801303005 /nfs/dbraw/zinc/30/30/05/801303005.db2.gz MJEHULXMSFQOQP-UHFFFAOYSA-N 1 2 289.339 0.601 20 30 CCEDLO C#CCN(CC#C)c1cc[nH+]c(N2CCOCC2)n1 ZINC001157560942 801418210 /nfs/dbraw/zinc/41/82/10/801418210.db2.gz LJXXMOLCHDBSIK-UHFFFAOYSA-N 1 2 256.309 0.386 20 30 CCEDLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)c(/C=N/O)c1 ZINC001158707806 801688613 /nfs/dbraw/zinc/68/86/13/801688613.db2.gz UDIUHOAYGQOXCR-DYPRAHPUSA-N 1 2 264.329 0.941 20 30 CCEDLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)c(/C=N/O)c1 ZINC001158707806 801688619 /nfs/dbraw/zinc/68/86/19/801688619.db2.gz UDIUHOAYGQOXCR-DYPRAHPUSA-N 1 2 264.329 0.941 20 30 CCEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001158713816 801692089 /nfs/dbraw/zinc/69/20/89/801692089.db2.gz DLWOILIUGXWKRB-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001158713816 801692094 /nfs/dbraw/zinc/69/20/94/801692094.db2.gz DLWOILIUGXWKRB-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO C=CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CCCCC1 ZINC001161247723 802115688 /nfs/dbraw/zinc/11/56/88/802115688.db2.gz IDSYRBFYRBLRLE-NSHDSACASA-N 1 2 278.360 0.417 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc(C)c(C#N)n2)cn1 ZINC001163412519 802553330 /nfs/dbraw/zinc/55/33/30/802553330.db2.gz QHIJIQUTBDSWPX-LBPRGKRZSA-N 1 2 299.334 0.880 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ncc(C)cc2C#N)cn1 ZINC001163412059 802554035 /nfs/dbraw/zinc/55/40/35/802554035.db2.gz MMRNEASKXBUTTH-ZDUSSCGKSA-N 1 2 299.334 0.880 20 30 CCEDLO COc1nc(N2CC[NH2+]CC(F)(F)C2)ncc1C#N ZINC001164488844 802747977 /nfs/dbraw/zinc/74/79/77/802747977.db2.gz NEMMWMWSEFVJMD-UHFFFAOYSA-N 1 2 269.255 0.402 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCOC[C@@H](O)C3)c12 ZINC001164512363 802753549 /nfs/dbraw/zinc/75/35/49/802753549.db2.gz YJNVLXZDEMRWIN-JTQLQIEISA-N 1 2 258.281 0.632 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H](O)[C@H](CO)C3)c12 ZINC001164546303 802761939 /nfs/dbraw/zinc/76/19/39/802761939.db2.gz ZVHYMKINDVNPEA-GXSJLCMTSA-N 1 2 258.281 0.224 20 30 CCEDLO C=CCCCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001165535174 802851943 /nfs/dbraw/zinc/85/19/43/802851943.db2.gz CGYBLXDMACSJJW-UHFFFAOYSA-N 1 2 266.349 0.162 20 30 CCEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206640092 803275972 /nfs/dbraw/zinc/27/59/72/803275972.db2.gz DNCPEXXAFLEJAR-NQBHXWOUSA-N 1 2 290.371 0.394 20 30 CCEDLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206640092 803275977 /nfs/dbraw/zinc/27/59/77/803275977.db2.gz DNCPEXXAFLEJAR-NQBHXWOUSA-N 1 2 290.371 0.394 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206909133 803303907 /nfs/dbraw/zinc/30/39/07/803303907.db2.gz WSDQWQCTQLOSHC-JHJVBQTASA-N 1 2 294.399 0.499 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206909133 803303911 /nfs/dbraw/zinc/30/39/11/803303911.db2.gz WSDQWQCTQLOSHC-JHJVBQTASA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)(CN1CCC(=O)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001207304395 803380199 /nfs/dbraw/zinc/38/01/99/803380199.db2.gz SGOGBWYOJXJHER-GFCCVEGCSA-N 1 2 265.357 0.512 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208309795 803504173 /nfs/dbraw/zinc/50/41/73/803504173.db2.gz XMDVWPABRWJFON-VXGBXAGGSA-N 1 2 292.383 0.275 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208309795 803504176 /nfs/dbraw/zinc/50/41/76/803504176.db2.gz XMDVWPABRWJFON-VXGBXAGGSA-N 1 2 292.383 0.275 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001208301940 803504549 /nfs/dbraw/zinc/50/45/49/803504549.db2.gz RZFVJXQRTRPWNA-FXPVBKGRSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001208301940 803504552 /nfs/dbraw/zinc/50/45/52/803504552.db2.gz RZFVJXQRTRPWNA-FXPVBKGRSA-N 1 2 287.791 0.687 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208464574 803515164 /nfs/dbraw/zinc/51/51/64/803515164.db2.gz GBZWIQUTGUKGHD-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208464574 803515169 /nfs/dbraw/zinc/51/51/69/803515169.db2.gz GBZWIQUTGUKGHD-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)OC)[C@H](OC)C1 ZINC001213254734 803685946 /nfs/dbraw/zinc/68/59/46/803685946.db2.gz SMYCGYBPGHRSSN-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)OC)[C@H](OC)C1 ZINC001213254734 803685950 /nfs/dbraw/zinc/68/59/50/803685950.db2.gz SMYCGYBPGHRSSN-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@H](OC)C1 ZINC001213964191 803707247 /nfs/dbraw/zinc/70/72/47/803707247.db2.gz QPJCLUZZGDRNNT-YNEHKIRRSA-N 1 2 266.341 0.026 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@H](OC)C1 ZINC001213964191 803707252 /nfs/dbraw/zinc/70/72/52/803707252.db2.gz QPJCLUZZGDRNNT-YNEHKIRRSA-N 1 2 266.341 0.026 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213959690 803707694 /nfs/dbraw/zinc/70/76/94/803707694.db2.gz XCMKBSAUUVCYKM-VXGBXAGGSA-N 1 2 274.336 0.364 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213959690 803707697 /nfs/dbraw/zinc/70/76/97/803707697.db2.gz XCMKBSAUUVCYKM-VXGBXAGGSA-N 1 2 274.336 0.364 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC=C)C[C@H]1OC ZINC001211997329 814970543 /nfs/dbraw/zinc/97/05/43/814970543.db2.gz QNFWVHAAZKQLCQ-CHWSQXEVSA-N 1 2 295.383 0.070 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC=C)C[C@H]1OC ZINC001211997329 814970545 /nfs/dbraw/zinc/97/05/45/814970545.db2.gz QNFWVHAAZKQLCQ-CHWSQXEVSA-N 1 2 295.383 0.070 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSCC#N)[C@H]2C1 ZINC001217332096 803888168 /nfs/dbraw/zinc/88/81/68/803888168.db2.gz ZGJRXWPUMNVCEU-QWHCGFSZSA-N 1 2 293.392 0.178 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CSCC#N)[C@H]2C1 ZINC001217332096 803888174 /nfs/dbraw/zinc/88/81/74/803888174.db2.gz ZGJRXWPUMNVCEU-QWHCGFSZSA-N 1 2 293.392 0.178 20 30 CCEDLO C=CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CC)C[C@@H]21 ZINC001217537970 803894576 /nfs/dbraw/zinc/89/45/76/803894576.db2.gz MBLVWSPTPWDLPF-UONOGXRCSA-N 1 2 278.352 0.124 20 30 CCEDLO C=CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC#CC)C[C@@H]21 ZINC001217537970 803894584 /nfs/dbraw/zinc/89/45/84/803894584.db2.gz MBLVWSPTPWDLPF-UONOGXRCSA-N 1 2 278.352 0.124 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001276771979 803932854 /nfs/dbraw/zinc/93/28/54/803932854.db2.gz LONMJOVOWAURCF-DGCLKSJQSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001276771979 803932862 /nfs/dbraw/zinc/93/28/62/803932862.db2.gz LONMJOVOWAURCF-DGCLKSJQSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001276771980 803932952 /nfs/dbraw/zinc/93/29/52/803932952.db2.gz LONMJOVOWAURCF-WCQYABFASA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC1 ZINC001276771980 803932960 /nfs/dbraw/zinc/93/29/60/803932960.db2.gz LONMJOVOWAURCF-WCQYABFASA-N 1 2 277.368 0.115 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCF)[C@H]2C1 ZINC001218475046 803959209 /nfs/dbraw/zinc/95/92/09/803959209.db2.gz NNRKPGNSTDUPHZ-UONOGXRCSA-N 1 2 298.358 0.298 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCF)[C@H]2C1 ZINC001218475046 803959215 /nfs/dbraw/zinc/95/92/15/803959215.db2.gz NNRKPGNSTDUPHZ-UONOGXRCSA-N 1 2 298.358 0.298 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2ncccc2cc1C#N ZINC001218542912 803996800 /nfs/dbraw/zinc/99/68/00/803996800.db2.gz QNPYCVWPXVPRCL-JTQLQIEISA-N 1 2 299.290 0.330 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1sc(C)cc1C#N ZINC001218554082 804002557 /nfs/dbraw/zinc/00/25/57/804002557.db2.gz GRWPYEYVEAUMQN-QMMMGPOBSA-N 1 2 267.310 0.757 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041417 814984155 /nfs/dbraw/zinc/98/41/55/814984155.db2.gz OYCYFSFAFLLZIS-MVWJERBFSA-N 1 2 294.380 0.618 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041417 814984160 /nfs/dbraw/zinc/98/41/60/814984160.db2.gz OYCYFSFAFLLZIS-MVWJERBFSA-N 1 2 294.380 0.618 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@@H](O)C1 ZINC001219436756 804310355 /nfs/dbraw/zinc/31/03/55/804310355.db2.gz NIGHITJFJNKYAG-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@@H](O)C1 ZINC001219436756 804310365 /nfs/dbraw/zinc/31/03/65/804310365.db2.gz NIGHITJFJNKYAG-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001219718129 804412628 /nfs/dbraw/zinc/41/26/28/804412628.db2.gz HCEKGCDNAAFJDL-ZDUSSCGKSA-N 1 2 256.265 0.212 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@@H](O)C1 ZINC001220027994 804477958 /nfs/dbraw/zinc/47/79/58/804477958.db2.gz RXAJQYGGYRCUBJ-AEJSXWLSSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@@H](O)C1 ZINC001220027994 804477959 /nfs/dbraw/zinc/47/79/59/804477959.db2.gz RXAJQYGGYRCUBJ-AEJSXWLSSA-N 1 2 260.284 0.072 20 30 CCEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220575350 804628667 /nfs/dbraw/zinc/62/86/67/804628667.db2.gz SYCARMRSMDYSES-NEPJUHHUSA-N 1 2 295.387 0.550 20 30 CCEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220575350 804628672 /nfs/dbraw/zinc/62/86/72/804628672.db2.gz SYCARMRSMDYSES-NEPJUHHUSA-N 1 2 295.387 0.550 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220774859 804664428 /nfs/dbraw/zinc/66/44/28/804664428.db2.gz WYOHLDPFAMPLFS-MXWKQRLJSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220774859 804664430 /nfs/dbraw/zinc/66/44/30/804664430.db2.gz WYOHLDPFAMPLFS-MXWKQRLJSA-N 1 2 292.301 0.760 20 30 CCEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001221046582 804723207 /nfs/dbraw/zinc/72/32/07/804723207.db2.gz UXRRTEOITJYDOY-CABCVRRESA-N 1 2 290.338 0.559 20 30 CCEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001221046582 804723212 /nfs/dbraw/zinc/72/32/12/804723212.db2.gz UXRRTEOITJYDOY-CABCVRRESA-N 1 2 290.338 0.559 20 30 CCEDLO Cc1nc(O[C@H](CC#N)C[N+](C)(C)C)c(F)c(=O)[nH]1 ZINC001226424513 805229011 /nfs/dbraw/zinc/22/90/11/805229011.db2.gz QJSQKRXZALWYTR-SECBINFHSA-O 1 2 269.300 0.997 20 30 CCEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)[nH]1 ZINC001226641377 805259169 /nfs/dbraw/zinc/25/91/69/805259169.db2.gz ZKTIJUOZTWWMDB-UWVGGRQHSA-N 1 2 290.371 0.914 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576223 815064492 /nfs/dbraw/zinc/06/44/92/815064492.db2.gz TZSLZMFANDNPLB-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001227244366 805334575 /nfs/dbraw/zinc/33/45/75/805334575.db2.gz LXYPYVOKPLZNGY-UHFFFAOYSA-N 1 2 289.383 0.555 20 30 CCEDLO C[N@@H+]1CCO[C@H](COc2ccc(O)c(C#N)c2C#N)C1 ZINC001227623207 805374156 /nfs/dbraw/zinc/37/41/56/805374156.db2.gz PSCRPBUOXWRQKF-JTQLQIEISA-N 1 2 273.292 0.845 20 30 CCEDLO C[N@H+]1CCO[C@H](COc2ccc(O)c(C#N)c2C#N)C1 ZINC001227623207 805374165 /nfs/dbraw/zinc/37/41/65/805374165.db2.gz PSCRPBUOXWRQKF-JTQLQIEISA-N 1 2 273.292 0.845 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001228024015 805408374 /nfs/dbraw/zinc/40/83/74/805408374.db2.gz RRTYPYKHLOXDKF-LLVKDONJSA-N 1 2 286.397 0.023 20 30 CCEDLO CSc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc(=O)[nH]1 ZINC001228094577 805412317 /nfs/dbraw/zinc/41/23/17/805412317.db2.gz KOVFEACHWPTRMH-NTBMCGCHSA-N 1 2 295.364 0.895 20 30 CCEDLO CSc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc(=O)[nH]1 ZINC001228094577 805412324 /nfs/dbraw/zinc/41/23/24/805412324.db2.gz KOVFEACHWPTRMH-NTBMCGCHSA-N 1 2 295.364 0.895 20 30 CCEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)NC4CC4)C3)C2)cc1C#N ZINC001277361534 805509189 /nfs/dbraw/zinc/50/91/89/805509189.db2.gz GNNJLKRVGXCTOP-UHFFFAOYSA-N 1 2 299.378 0.886 20 30 CCEDLO Cc1nc2nc[nH]c2c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001229438676 805534879 /nfs/dbraw/zinc/53/48/79/805534879.db2.gz SGQCYRMVNBZCEG-ADAFDVPTSA-N 1 2 287.323 0.653 20 30 CCEDLO Cc1nc2nc[nH]c2c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001229438676 805534883 /nfs/dbraw/zinc/53/48/83/805534883.db2.gz SGQCYRMVNBZCEG-ADAFDVPTSA-N 1 2 287.323 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619529 815084417 /nfs/dbraw/zinc/08/44/17/815084417.db2.gz KYUYRMHFXJETJX-UHFFFAOYSA-N 1 2 283.763 0.565 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989619529 815084423 /nfs/dbraw/zinc/08/44/23/815084423.db2.gz KYUYRMHFXJETJX-UHFFFAOYSA-N 1 2 283.763 0.565 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278375624 807049913 /nfs/dbraw/zinc/04/99/13/807049913.db2.gz RXIJIEKMRXODNR-SWLSCSKDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278375624 807049920 /nfs/dbraw/zinc/04/99/20/807049920.db2.gz RXIJIEKMRXODNR-SWLSCSKDSA-N 1 2 294.399 0.643 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](NC2(C#N)CCCCC2)C[NH2+]1 ZINC001246232044 807192968 /nfs/dbraw/zinc/19/29/68/807192968.db2.gz YZBCWNDHRKOOIB-MNOVXSKESA-N 1 2 251.330 0.706 20 30 CCEDLO N#Cc1ccc(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)nc1 ZINC001247228334 807457930 /nfs/dbraw/zinc/45/79/30/807457930.db2.gz ATKGRZVIKBAMAI-JTQLQIEISA-N 1 2 281.279 0.900 20 30 CCEDLO N#Cc1ccc(-c2noc(CC[NH+]3CCOCC3)n2)nc1 ZINC001247456496 807463071 /nfs/dbraw/zinc/46/30/71/807463071.db2.gz YVZZZMKKLSUITN-UHFFFAOYSA-N 1 2 285.307 0.878 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H]1C ZINC001088747466 815125780 /nfs/dbraw/zinc/12/57/80/815125780.db2.gz DGBOKBXCRAIKKT-MNOVXSKESA-N 1 2 290.319 0.474 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H]1C ZINC001088747466 815125781 /nfs/dbraw/zinc/12/57/81/815125781.db2.gz DGBOKBXCRAIKKT-MNOVXSKESA-N 1 2 290.319 0.474 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](N2CCS2(=O)=O)C1 ZINC001250355425 807595230 /nfs/dbraw/zinc/59/52/30/807595230.db2.gz ZRQOIQVEGAYQQR-AWEZNQCLSA-N 1 2 291.376 0.778 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](N2CCS2(=O)=O)C1 ZINC001250355425 807595237 /nfs/dbraw/zinc/59/52/37/807595237.db2.gz ZRQOIQVEGAYQQR-AWEZNQCLSA-N 1 2 291.376 0.778 20 30 CCEDLO Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cnc1C#N ZINC001251005615 807637156 /nfs/dbraw/zinc/63/71/56/807637156.db2.gz CLYFPGDKJILHBH-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001251885390 807735181 /nfs/dbraw/zinc/73/51/81/807735181.db2.gz UQJWOKDUOPBHQR-NEPJUHHUSA-N 1 2 257.330 0.174 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001251893792 807738767 /nfs/dbraw/zinc/73/87/67/807738767.db2.gz JMWOVKHMMWXIPJ-RWMBFGLXSA-N 1 2 271.357 0.565 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252484042 807888284 /nfs/dbraw/zinc/88/82/84/807888284.db2.gz YJYBDLPXPDTYHW-SRVKXCTJSA-N 1 2 259.346 0.727 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252487510 807890148 /nfs/dbraw/zinc/89/01/48/807890148.db2.gz UXTUQIXTZZVJJU-RYUDHWBXSA-N 1 2 259.346 0.727 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252493168 807893471 /nfs/dbraw/zinc/89/34/71/807893471.db2.gz NGSOCZVIYXKFDD-STQMWFEESA-N 1 2 271.357 0.871 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253576052 808083736 /nfs/dbraw/zinc/08/37/36/808083736.db2.gz JJSQEVPLQRFNFE-GHMZBOCLSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253576052 808083744 /nfs/dbraw/zinc/08/37/44/808083744.db2.gz JJSQEVPLQRFNFE-GHMZBOCLSA-N 1 2 266.345 0.391 20 30 CCEDLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126880811 815180495 /nfs/dbraw/zinc/18/04/95/815180495.db2.gz AYCBUIHXKXVBQX-UHFFFAOYSA-N 1 2 280.759 0.693 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](O)C1 ZINC001083517449 815198908 /nfs/dbraw/zinc/19/89/08/815198908.db2.gz BDDCSFMUVPEQMB-ZJUUUORDSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](O)C1 ZINC001083517449 815198911 /nfs/dbraw/zinc/19/89/11/815198911.db2.gz BDDCSFMUVPEQMB-ZJUUUORDSA-N 1 2 296.758 0.034 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001278888561 808429314 /nfs/dbraw/zinc/42/93/14/808429314.db2.gz UCEWTTYJBNBNQW-VXGBXAGGSA-N 1 2 268.357 0.150 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001256605300 808539231 /nfs/dbraw/zinc/53/92/31/808539231.db2.gz YWFDHQUJDWGTIN-ZYHUDNBSSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001256605300 808539236 /nfs/dbraw/zinc/53/92/36/808539236.db2.gz YWFDHQUJDWGTIN-ZYHUDNBSSA-N 1 2 266.341 0.705 20 30 CCEDLO CCOC(=O)[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](C)O ZINC001256958118 808572404 /nfs/dbraw/zinc/57/24/04/808572404.db2.gz UVBJCFCTQSZZHX-HBIQZDMRSA-N 1 2 254.330 0.971 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001262905777 809422863 /nfs/dbraw/zinc/42/28/63/809422863.db2.gz ZIODELNWYLGBKQ-ZJUUUORDSA-N 1 2 251.334 0.175 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001262905777 809422866 /nfs/dbraw/zinc/42/28/66/809422866.db2.gz ZIODELNWYLGBKQ-ZJUUUORDSA-N 1 2 251.334 0.175 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076379544 815288351 /nfs/dbraw/zinc/28/83/51/815288351.db2.gz LUFZCOSUJHIOOF-GXSJLCMTSA-N 1 2 282.731 0.968 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076379544 815288353 /nfs/dbraw/zinc/28/83/53/815288353.db2.gz LUFZCOSUJHIOOF-GXSJLCMTSA-N 1 2 282.731 0.968 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CC2CCC2)CC1 ZINC000379709167 809516593 /nfs/dbraw/zinc/51/65/93/809516593.db2.gz XUHFEIMWDJOIEG-UHFFFAOYSA-N 1 2 271.386 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001263813066 809575470 /nfs/dbraw/zinc/57/54/70/809575470.db2.gz ZTTCGWMPRKOIJF-OLZOCXBDSA-N 1 2 291.395 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001263813066 809575473 /nfs/dbraw/zinc/57/54/73/809575473.db2.gz ZTTCGWMPRKOIJF-OLZOCXBDSA-N 1 2 291.395 0.621 20 30 CCEDLO CCCCO[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265255905 809732263 /nfs/dbraw/zinc/73/22/63/809732263.db2.gz FURVMFWSTQKMOL-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001279614156 809988659 /nfs/dbraw/zinc/98/86/59/809988659.db2.gz ISBUKOHPKZNQOZ-AAEUAGOBSA-N 1 2 290.367 0.030 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001279614156 809988663 /nfs/dbraw/zinc/98/86/63/809988663.db2.gz ISBUKOHPKZNQOZ-AAEUAGOBSA-N 1 2 290.367 0.030 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001076730285 815356526 /nfs/dbraw/zinc/35/65/26/815356526.db2.gz JBGBBQHZUCKXHQ-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001076730285 815356533 /nfs/dbraw/zinc/35/65/33/815356533.db2.gz JBGBBQHZUCKXHQ-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001076815568 815380966 /nfs/dbraw/zinc/38/09/66/815380966.db2.gz DSTUAGJGBKTLTQ-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001076815568 815380972 /nfs/dbraw/zinc/38/09/72/815380972.db2.gz DSTUAGJGBKTLTQ-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001267288483 811099245 /nfs/dbraw/zinc/09/92/45/811099245.db2.gz SHDIXOWBZIMNKH-LLVKDONJSA-N 1 2 264.329 0.974 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001267288483 811099254 /nfs/dbraw/zinc/09/92/54/811099254.db2.gz SHDIXOWBZIMNKH-LLVKDONJSA-N 1 2 264.329 0.974 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]cnc3CC)[C@H]2C1 ZINC001083260345 811119710 /nfs/dbraw/zinc/11/97/10/811119710.db2.gz WUZONJKBVOCHQQ-QWHCGFSZSA-N 1 2 288.351 0.131 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]cnc3CC)[C@H]2C1 ZINC001083260345 811119715 /nfs/dbraw/zinc/11/97/15/811119715.db2.gz WUZONJKBVOCHQQ-QWHCGFSZSA-N 1 2 288.351 0.131 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC#N ZINC000355672974 811240868 /nfs/dbraw/zinc/24/08/68/811240868.db2.gz SNYQVQKSRGUBQI-NEPJUHHUSA-N 1 2 266.345 0.405 20 30 CCEDLO N#Cc1c(F)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1F ZINC001140752137 811384938 /nfs/dbraw/zinc/38/49/38/811384938.db2.gz GOFIDDYAQXDUNM-NOZJJQNGSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1F ZINC001140752137 811384948 /nfs/dbraw/zinc/38/49/48/811384948.db2.gz GOFIDDYAQXDUNM-NOZJJQNGSA-N 1 2 268.263 0.621 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001077079200 815444139 /nfs/dbraw/zinc/44/41/39/815444139.db2.gz WXVPGOXTPYYRGE-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001077079200 815444140 /nfs/dbraw/zinc/44/41/40/815444140.db2.gz WXVPGOXTPYYRGE-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CC2(O)CCC2)CC1 ZINC001267607516 811554225 /nfs/dbraw/zinc/55/42/25/811554225.db2.gz LCXBAQFWPCSGOC-UHFFFAOYSA-N 1 2 293.411 0.001 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCCn2ccccc2=O)C1 ZINC001267655271 811621908 /nfs/dbraw/zinc/62/19/08/811621908.db2.gz OZFNDPBRQOPDKQ-UHFFFAOYSA-N 1 2 287.363 0.452 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CC(C)C)C1 ZINC001267673277 811636283 /nfs/dbraw/zinc/63/62/83/811636283.db2.gz CFLXLNXLCSWFSM-UHFFFAOYSA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCCCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001267689553 811654134 /nfs/dbraw/zinc/65/41/34/811654134.db2.gz MLSUKOXGBLMYBS-UHFFFAOYSA-N 1 2 281.400 0.915 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C ZINC001267707100 811669790 /nfs/dbraw/zinc/66/97/90/811669790.db2.gz LUDVOBDGGONQDF-KBPBESRZSA-N 1 2 287.363 0.872 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C ZINC001267707100 811669792 /nfs/dbraw/zinc/66/97/92/811669792.db2.gz LUDVOBDGGONQDF-KBPBESRZSA-N 1 2 287.363 0.872 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001267722977 811687549 /nfs/dbraw/zinc/68/75/49/811687549.db2.gz NQLOQVCIAOUCDN-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCOC)C1 ZINC001267722977 811687554 /nfs/dbraw/zinc/68/75/54/811687554.db2.gz NQLOQVCIAOUCDN-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(C)C)C1 ZINC001267728813 811697585 /nfs/dbraw/zinc/69/75/85/811697585.db2.gz MMEKHUVYXXOFCY-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(C)C)C1 ZINC001267728813 811697591 /nfs/dbraw/zinc/69/75/91/811697591.db2.gz MMEKHUVYXXOFCY-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2CC)C1 ZINC001077271162 815470482 /nfs/dbraw/zinc/47/04/82/815470482.db2.gz JAPTVJKBJDEPRE-CHWSQXEVSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2CC)C1 ZINC001077271162 815470486 /nfs/dbraw/zinc/47/04/86/815470486.db2.gz JAPTVJKBJDEPRE-CHWSQXEVSA-N 1 2 273.336 0.052 20 30 CCEDLO CCC(CC)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267756476 811751101 /nfs/dbraw/zinc/75/11/01/811751101.db2.gz GGEGNYDKVOBCRN-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267756476 811751105 /nfs/dbraw/zinc/75/11/05/811751105.db2.gz GGEGNYDKVOBCRN-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077310947 815479243 /nfs/dbraw/zinc/47/92/43/815479243.db2.gz JHTXVEAIQKYPTF-CHWSQXEVSA-N 1 2 299.330 0.626 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077310947 815479247 /nfs/dbraw/zinc/47/92/47/815479247.db2.gz JHTXVEAIQKYPTF-CHWSQXEVSA-N 1 2 299.330 0.626 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268006208 811942807 /nfs/dbraw/zinc/94/28/07/811942807.db2.gz XTQFUVNWORYFPV-NEPJUHHUSA-N 1 2 263.345 0.700 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001125967046 811949823 /nfs/dbraw/zinc/94/98/23/811949823.db2.gz JMGXPBSWMXAQLW-UHFFFAOYSA-N 1 2 260.341 0.876 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001268025998 811996748 /nfs/dbraw/zinc/99/67/48/811996748.db2.gz LARCPVHKYWQMHO-CQSZACIVSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001268025998 811996753 /nfs/dbraw/zinc/99/67/53/811996753.db2.gz LARCPVHKYWQMHO-CQSZACIVSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001077382291 815489364 /nfs/dbraw/zinc/48/93/64/815489364.db2.gz PRWRVIAOHQQBAH-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001077382291 815489367 /nfs/dbraw/zinc/48/93/67/815489367.db2.gz PRWRVIAOHQQBAH-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001038776783 812069189 /nfs/dbraw/zinc/06/91/89/812069189.db2.gz ACQKVXBEMBTCJJ-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001038776783 812069198 /nfs/dbraw/zinc/06/91/98/812069198.db2.gz ACQKVXBEMBTCJJ-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001083314712 812093487 /nfs/dbraw/zinc/09/34/87/812093487.db2.gz WVBMUQFZAFFODQ-KGLIPLIRSA-N 1 2 276.311 0.624 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001083314712 812093494 /nfs/dbraw/zinc/09/34/94/812093494.db2.gz WVBMUQFZAFFODQ-KGLIPLIRSA-N 1 2 276.311 0.624 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C#CC2CC2)n1 ZINC001268062595 812173166 /nfs/dbraw/zinc/17/31/66/812173166.db2.gz DUXRFAIEWTUEGB-NSHDSACASA-N 1 2 290.367 0.982 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001268152903 812311022 /nfs/dbraw/zinc/31/10/22/812311022.db2.gz DXHFRSHQMFEYHC-JTQLQIEISA-N 1 2 260.284 0.482 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001268152903 812311032 /nfs/dbraw/zinc/31/10/32/812311032.db2.gz DXHFRSHQMFEYHC-JTQLQIEISA-N 1 2 260.284 0.482 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001268280134 812443138 /nfs/dbraw/zinc/44/31/38/812443138.db2.gz HINAFRFXZQBFTM-AWEZNQCLSA-N 1 2 252.358 0.914 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001038964890 812483377 /nfs/dbraw/zinc/48/33/77/812483377.db2.gz VMEAYNAQUJWXEY-ZIAGYGMSSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001038964890 812483380 /nfs/dbraw/zinc/48/33/80/812483380.db2.gz VMEAYNAQUJWXEY-ZIAGYGMSSA-N 1 2 269.348 0.620 20 30 CCEDLO C=CCCC[NH+]1CC(NC(=O)c2cn(C)ccc2=O)C1 ZINC001268343700 812507498 /nfs/dbraw/zinc/50/74/98/812507498.db2.gz UDOOKRUNGWBAOI-UHFFFAOYSA-N 1 2 275.352 0.766 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001126343829 812530567 /nfs/dbraw/zinc/53/05/67/812530567.db2.gz JAMMTYCVPKBTMM-UHFFFAOYSA-N 1 2 252.343 0.547 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001268467133 812616654 /nfs/dbraw/zinc/61/66/54/812616654.db2.gz ACUWLKMPVMACHK-NSHDSACASA-N 1 2 282.388 0.446 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001126359915 812629447 /nfs/dbraw/zinc/62/94/47/812629447.db2.gz HDNFIBQSOMEXBJ-CQSZACIVSA-N 1 2 296.371 0.726 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccco2)C1 ZINC001268495573 812704677 /nfs/dbraw/zinc/70/46/77/812704677.db2.gz VMBNMMXZDAZFDY-LLVKDONJSA-N 1 2 289.335 0.079 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001126377504 812804190 /nfs/dbraw/zinc/80/41/90/812804190.db2.gz BKRILEOVCCDAPH-IINYFYTJSA-N 1 2 296.371 0.726 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001126379135 812821829 /nfs/dbraw/zinc/82/18/29/812821829.db2.gz XUGSQSPORMWQRL-BXKDBHETSA-N 1 2 284.385 0.632 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001083340881 812890468 /nfs/dbraw/zinc/89/04/68/812890468.db2.gz AMKLCTPNQJSQHC-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001083340881 812890472 /nfs/dbraw/zinc/89/04/72/812890472.db2.gz AMKLCTPNQJSQHC-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO C[C@@H](CN(C)CC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736629 813052318 /nfs/dbraw/zinc/05/23/18/813052318.db2.gz VDUOYCPYQBTYSB-RYUDHWBXSA-N 1 2 275.356 0.406 20 30 CCEDLO CCC#CC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001268951465 813155854 /nfs/dbraw/zinc/15/58/54/813155854.db2.gz RPRRXKACISTTBI-UHFFFAOYSA-N 1 2 280.368 0.555 20 30 CCEDLO CCC#CC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001268951465 813155859 /nfs/dbraw/zinc/15/58/59/813155859.db2.gz RPRRXKACISTTBI-UHFFFAOYSA-N 1 2 280.368 0.555 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001269046336 813191341 /nfs/dbraw/zinc/19/13/41/813191341.db2.gz GGARVDWNAVQWNS-LBPRGKRZSA-N 1 2 295.358 0.066 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001269046336 813191346 /nfs/dbraw/zinc/19/13/46/813191346.db2.gz GGARVDWNAVQWNS-LBPRGKRZSA-N 1 2 295.358 0.066 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001038401066 813285018 /nfs/dbraw/zinc/28/50/18/813285018.db2.gz NXFPOSWYFDWIEK-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001038401066 813285024 /nfs/dbraw/zinc/28/50/24/813285024.db2.gz NXFPOSWYFDWIEK-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCN(CC#N)C1 ZINC001269262905 813296175 /nfs/dbraw/zinc/29/61/75/813296175.db2.gz MDCXQMAWYBBHKJ-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001269310554 813321468 /nfs/dbraw/zinc/32/14/68/813321468.db2.gz MWVDIRBEMSQGLW-GFCCVEGCSA-N 1 2 298.346 0.566 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001269310554 813321473 /nfs/dbraw/zinc/32/14/73/813321473.db2.gz MWVDIRBEMSQGLW-GFCCVEGCSA-N 1 2 298.346 0.566 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001269764429 813496543 /nfs/dbraw/zinc/49/65/43/813496543.db2.gz WRJFAZAXCVVSNN-LLVKDONJSA-N 1 2 251.330 0.491 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270506659 813789541 /nfs/dbraw/zinc/78/95/41/813789541.db2.gz CAYGMYSFTYHPMY-GFCCVEGCSA-N 1 2 297.362 0.701 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@H](OC)C1 ZINC001211855257 813883444 /nfs/dbraw/zinc/88/34/44/813883444.db2.gz IEAPIVPVGUQREL-ZIAGYGMSSA-N 1 2 280.368 0.584 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@H](OC)C1 ZINC001211855257 813883455 /nfs/dbraw/zinc/88/34/55/813883455.db2.gz IEAPIVPVGUQREL-ZIAGYGMSSA-N 1 2 280.368 0.584 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001271343025 814387290 /nfs/dbraw/zinc/38/72/90/814387290.db2.gz GYJGVCKEFFMHFG-UHFFFAOYSA-N 1 2 297.358 0.968 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001271351402 814388567 /nfs/dbraw/zinc/38/85/67/814388567.db2.gz XGLYJOVYWAFGEI-OCCSQVGLSA-N 1 2 284.400 0.787 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151982 814428226 /nfs/dbraw/zinc/42/82/26/814428226.db2.gz GCDHVGQSZBYLSZ-NEPJUHHUSA-N 1 2 273.340 0.256 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCCCOC ZINC001280400043 814431096 /nfs/dbraw/zinc/43/10/96/814431096.db2.gz VDZAVHRSSJGSNB-CQSZACIVSA-N 1 2 282.384 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCCCOC ZINC001280400043 814431100 /nfs/dbraw/zinc/43/11/00/814431100.db2.gz VDZAVHRSSJGSNB-CQSZACIVSA-N 1 2 282.384 0.643 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271559891 814477448 /nfs/dbraw/zinc/47/74/48/814477448.db2.gz FUUQOGPKBBJFQG-NWDGAFQWSA-N 1 2 261.329 0.233 20 30 CCEDLO CN(CCN(C)c1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001105419415 814622395 /nfs/dbraw/zinc/62/23/95/814622395.db2.gz XMXQUQGCKORGKC-UHFFFAOYSA-N 1 2 299.338 0.140 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2csnc2C)C1 ZINC001271957343 814651033 /nfs/dbraw/zinc/65/10/33/814651033.db2.gz HOKBUHHVBXRYOE-AWEZNQCLSA-N 1 2 293.392 0.641 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2csnc2C)C1 ZINC001271957343 814651036 /nfs/dbraw/zinc/65/10/36/814651036.db2.gz HOKBUHHVBXRYOE-AWEZNQCLSA-N 1 2 293.392 0.641 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001127031915 815581173 /nfs/dbraw/zinc/58/11/73/815581173.db2.gz LMFQQOYAYZZLEN-UHFFFAOYSA-N 1 2 294.355 0.268 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001088541078 814861462 /nfs/dbraw/zinc/86/14/62/814861462.db2.gz KEKXRTSLDWVMIP-MFKMUULPSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001088541078 814861471 /nfs/dbraw/zinc/86/14/71/814861471.db2.gz KEKXRTSLDWVMIP-MFKMUULPSA-N 1 2 299.802 0.796 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](O)C1 ZINC001083675815 815657982 /nfs/dbraw/zinc/65/79/82/815657982.db2.gz VBZNVQJABLTMDL-OLZOCXBDSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](O)C1 ZINC001083675815 815657985 /nfs/dbraw/zinc/65/79/85/815657985.db2.gz VBZNVQJABLTMDL-OLZOCXBDSA-N 1 2 264.369 0.607 20 30 CCEDLO C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC001030225977 815909940 /nfs/dbraw/zinc/90/99/40/815909940.db2.gz LGVKNKUADITEST-MFKMUULPSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001030257782 815935531 /nfs/dbraw/zinc/93/55/31/815935531.db2.gz SVUWDRRPCOTOCU-WCQYABFASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Br)n[nH]2)C1 ZINC001030388828 816008070 /nfs/dbraw/zinc/00/80/70/816008070.db2.gz ZNFHPQJTLWTEED-UHFFFAOYSA-N 1 2 297.156 0.610 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001030395597 816011114 /nfs/dbraw/zinc/01/11/14/816011114.db2.gz FYAKRXSITIAABB-CYBMUJFWSA-N 1 2 293.411 0.867 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnccc2C)C1 ZINC001030463916 816050414 /nfs/dbraw/zinc/05/04/14/816050414.db2.gz AHQDEVIMKZXSLG-UHFFFAOYSA-N 1 2 257.337 0.756 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001030485403 816060210 /nfs/dbraw/zinc/06/02/10/816060210.db2.gz WKYMQRNGANNBQG-UHFFFAOYSA-N 1 2 250.302 0.414 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2CC)C1 ZINC001030488232 816060996 /nfs/dbraw/zinc/06/09/96/816060996.db2.gz MVUAQJOWMBMAIT-UHFFFAOYSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001030560871 816109713 /nfs/dbraw/zinc/10/97/13/816109713.db2.gz PGUPTSVCMKLRBL-QWHCGFSZSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001030763469 816275149 /nfs/dbraw/zinc/27/51/49/816275149.db2.gz CAQNPTRPXFFOGO-UHFFFAOYSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001030766501 816276112 /nfs/dbraw/zinc/27/61/12/816276112.db2.gz YWWRXDKJVXUBBI-AWEZNQCLSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001030768194 816277043 /nfs/dbraw/zinc/27/70/43/816277043.db2.gz ZBQPTXKHICWRSL-UHFFFAOYSA-N 1 2 297.362 0.714 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001030811751 816311414 /nfs/dbraw/zinc/31/14/14/816311414.db2.gz FDTJQLMQLQEAGH-UHFFFAOYSA-N 1 2 253.327 0.839 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001030859369 816355392 /nfs/dbraw/zinc/35/53/92/816355392.db2.gz GOZZGHNXDUUZMR-LLVKDONJSA-N 1 2 275.356 0.601 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)[C@@H](O)C1 ZINC001083706488 816519148 /nfs/dbraw/zinc/51/91/48/816519148.db2.gz BQNFRQSBARZNBJ-XQQFMLRXSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)[C@@H](O)C1 ZINC001083706488 816519154 /nfs/dbraw/zinc/51/91/54/816519154.db2.gz BQNFRQSBARZNBJ-XQQFMLRXSA-N 1 2 264.369 0.607 20 30 CCEDLO C=C(C)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001030977757 816525520 /nfs/dbraw/zinc/52/55/20/816525520.db2.gz PDZNDLYAZIFRCI-CHWSQXEVSA-N 1 2 274.368 0.900 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001030993168 816541808 /nfs/dbraw/zinc/54/18/08/816541808.db2.gz OLSCAHVRLZMZJG-UHFFFAOYSA-N 1 2 260.341 0.970 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001031041044 816598705 /nfs/dbraw/zinc/59/87/05/816598705.db2.gz YUPIABIYQIYLRN-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cccnn32)C1 ZINC001031064878 816619114 /nfs/dbraw/zinc/61/91/14/816619114.db2.gz KESLUYLUAXXKIR-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001031070068 816623269 /nfs/dbraw/zinc/62/32/69/816623269.db2.gz NBKNJAJOEMGCRO-JTQLQIEISA-N 1 2 281.335 0.626 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001031096702 816644089 /nfs/dbraw/zinc/64/40/89/816644089.db2.gz AXTIDAMRGKWLNS-UHFFFAOYSA-N 1 2 279.365 0.837 20 30 CCEDLO C=C(Br)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145873 816697449 /nfs/dbraw/zinc/69/74/49/816697449.db2.gz XQUHBGNWHJEHJO-UHFFFAOYSA-N 1 2 299.172 0.661 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001031163692 816723728 /nfs/dbraw/zinc/72/37/28/816723728.db2.gz XCHLRFDVGNHXOH-UHFFFAOYSA-N 1 2 275.356 0.605 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](CC)OC)C2)nc1 ZINC001031278505 816923546 /nfs/dbraw/zinc/92/35/46/816923546.db2.gz OUJMAELGAHECEX-AWEZNQCLSA-N 1 2 287.363 0.902 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC001213266913 816969458 /nfs/dbraw/zinc/96/94/58/816969458.db2.gz PNSFWYSXJABAPL-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC001213266913 816969463 /nfs/dbraw/zinc/96/94/63/816969463.db2.gz PNSFWYSXJABAPL-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001046950431 816980915 /nfs/dbraw/zinc/98/09/15/816980915.db2.gz HVBSRTZZOCIDQY-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001046950431 816980926 /nfs/dbraw/zinc/98/09/26/816980926.db2.gz HVBSRTZZOCIDQY-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001046950431 816980930 /nfs/dbraw/zinc/98/09/30/816980930.db2.gz HVBSRTZZOCIDQY-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001046950431 816980934 /nfs/dbraw/zinc/98/09/34/816980934.db2.gz HVBSRTZZOCIDQY-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001031390341 817025053 /nfs/dbraw/zinc/02/50/53/817025053.db2.gz KXNLGMQJTGGCGB-UHFFFAOYSA-N 1 2 283.335 0.704 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001031424795 817047064 /nfs/dbraw/zinc/04/70/64/817047064.db2.gz CTVYUUVZUYSGJZ-LBPRGKRZSA-N 1 2 289.383 0.525 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001077548914 817057139 /nfs/dbraw/zinc/05/71/39/817057139.db2.gz PXZAIKVPDLBZKR-CHWSQXEVSA-N 1 2 275.352 0.546 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001077548914 817057145 /nfs/dbraw/zinc/05/71/45/817057145.db2.gz PXZAIKVPDLBZKR-CHWSQXEVSA-N 1 2 275.352 0.546 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000180158084 817322589 /nfs/dbraw/zinc/32/25/89/817322589.db2.gz UJTKAAYIGDHUAW-CQSZACIVSA-N 1 2 265.401 0.932 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001127604224 817332489 /nfs/dbraw/zinc/33/24/89/817332489.db2.gz BGQUHXYVGCBBLA-NEPJUHHUSA-N 1 2 296.396 0.725 20 30 CCEDLO N#CCN1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031769092 817350608 /nfs/dbraw/zinc/35/06/08/817350608.db2.gz XJUIDWIEGGHXAW-UHFFFAOYSA-N 1 2 269.308 0.748 20 30 CCEDLO C#C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC001212295018 817354796 /nfs/dbraw/zinc/35/47/96/817354796.db2.gz VNYUMECMFHSASA-AWEZNQCLSA-N 1 2 293.392 0.443 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031931840 817474405 /nfs/dbraw/zinc/47/44/05/817474405.db2.gz WZDPBJNBDUWLHN-UHFFFAOYSA-N 1 2 282.731 0.184 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001031949933 817488347 /nfs/dbraw/zinc/48/83/47/817488347.db2.gz LJYCLCCXIVHGKV-NSHDSACASA-N 1 2 279.384 0.655 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)c2[nH]ncc2F)C1 ZINC001031954688 817492331 /nfs/dbraw/zinc/49/23/31/817492331.db2.gz GTIYLNAQNZOLLD-UHFFFAOYSA-N 1 2 250.277 0.234 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001124768189 817569999 /nfs/dbraw/zinc/56/99/99/817569999.db2.gz VZMYTWMYBDXLFC-JTQLQIEISA-N 1 2 298.343 0.185 20 30 CCEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124902081 817624733 /nfs/dbraw/zinc/62/47/33/817624733.db2.gz GPFNGJMYWRPJNG-IUCAKERBSA-N 1 2 265.317 0.558 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001124901538 817627853 /nfs/dbraw/zinc/62/78/53/817627853.db2.gz ALJQRNXIKUSTQJ-JTQLQIEISA-N 1 2 276.340 0.919 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888039 817668129 /nfs/dbraw/zinc/66/81/29/817668129.db2.gz CDMHVEGMKCLKJO-FQUUOJAGSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888039 817668134 /nfs/dbraw/zinc/66/81/34/817668134.db2.gz CDMHVEGMKCLKJO-FQUUOJAGSA-N 1 2 299.378 0.149 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 ZINC001032246640 817750131 /nfs/dbraw/zinc/75/01/31/817750131.db2.gz BZKSMWXHWGRUBL-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 ZINC001032246640 817750137 /nfs/dbraw/zinc/75/01/37/817750137.db2.gz BZKSMWXHWGRUBL-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000691284956 817838478 /nfs/dbraw/zinc/83/84/78/817838478.db2.gz PKAUDNCZOQDKPM-NWDGAFQWSA-N 1 2 271.386 0.503 20 30 CCEDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000691284956 817838488 /nfs/dbraw/zinc/83/84/88/817838488.db2.gz PKAUDNCZOQDKPM-NWDGAFQWSA-N 1 2 271.386 0.503 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOC1 ZINC001032312448 817841936 /nfs/dbraw/zinc/84/19/36/817841936.db2.gz LLFMVDQZKISEPF-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOC1 ZINC001032312448 817841940 /nfs/dbraw/zinc/84/19/40/817841940.db2.gz LLFMVDQZKISEPF-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683775 817942400 /nfs/dbraw/zinc/94/24/00/817942400.db2.gz UUGNXLWABHGFCA-CQSZACIVSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683775 817942405 /nfs/dbraw/zinc/94/24/05/817942405.db2.gz UUGNXLWABHGFCA-CQSZACIVSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSC)C1 ZINC001107718380 817960007 /nfs/dbraw/zinc/96/00/07/817960007.db2.gz HDZPQIPGZTYCMT-ZDUSSCGKSA-N 1 2 270.398 0.580 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CSC)C1 ZINC001107718380 817960010 /nfs/dbraw/zinc/96/00/10/817960010.db2.gz HDZPQIPGZTYCMT-ZDUSSCGKSA-N 1 2 270.398 0.580 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107794847 818014777 /nfs/dbraw/zinc/01/47/77/818014777.db2.gz GQGYBLMHXGUYNC-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107794847 818014785 /nfs/dbraw/zinc/01/47/85/818014785.db2.gz GQGYBLMHXGUYNC-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973381 818086609 /nfs/dbraw/zinc/08/66/09/818086609.db2.gz MYZDVWMQSIRDGC-CHWSQXEVSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973381 818086614 /nfs/dbraw/zinc/08/66/14/818086614.db2.gz MYZDVWMQSIRDGC-CHWSQXEVSA-N 1 2 295.770 0.999 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001089976953 818106144 /nfs/dbraw/zinc/10/61/44/818106144.db2.gz RSTVXHAEFZVGKQ-LSDHHAIUSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001089976953 818106150 /nfs/dbraw/zinc/10/61/50/818106150.db2.gz RSTVXHAEFZVGKQ-LSDHHAIUSA-N 1 2 291.326 0.769 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CCCF)CC2 ZINC001128264151 818134981 /nfs/dbraw/zinc/13/49/81/818134981.db2.gz JPMZIDOPVFVZPW-LLVKDONJSA-N 1 2 293.346 0.834 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CCCF)CC2 ZINC001128264151 818134988 /nfs/dbraw/zinc/13/49/88/818134988.db2.gz JPMZIDOPVFVZPW-LLVKDONJSA-N 1 2 293.346 0.834 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc[nH]1 ZINC001273024194 818462659 /nfs/dbraw/zinc/46/26/59/818462659.db2.gz ORIWPRUNVVXIGO-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc[nH]1 ZINC001273024194 818462666 /nfs/dbraw/zinc/46/26/66/818462666.db2.gz ORIWPRUNVVXIGO-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]cn1 ZINC001273024194 818462670 /nfs/dbraw/zinc/46/26/70/818462670.db2.gz ORIWPRUNVVXIGO-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]cn1 ZINC001273024194 818462674 /nfs/dbraw/zinc/46/26/74/818462674.db2.gz ORIWPRUNVVXIGO-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001033049923 818464127 /nfs/dbraw/zinc/46/41/27/818464127.db2.gz ZITFWBVFUMAAKG-NXEZZACHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001033049923 818464129 /nfs/dbraw/zinc/46/41/29/818464129.db2.gz ZITFWBVFUMAAKG-NXEZZACHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090100921 818516009 /nfs/dbraw/zinc/51/60/09/818516009.db2.gz AGCGVNMNQOYLQB-PWSUYJOCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090100921 818516016 /nfs/dbraw/zinc/51/60/16/818516016.db2.gz AGCGVNMNQOYLQB-PWSUYJOCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090123179 818667378 /nfs/dbraw/zinc/66/73/78/818667378.db2.gz MMAAJXSCTJELKC-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090123179 818667383 /nfs/dbraw/zinc/66/73/83/818667383.db2.gz MMAAJXSCTJELKC-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033322401 818709647 /nfs/dbraw/zinc/70/96/47/818709647.db2.gz UKNHKIPRTQIJGG-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033322401 818709655 /nfs/dbraw/zinc/70/96/55/818709655.db2.gz UKNHKIPRTQIJGG-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(CC#N)C1 ZINC001033434038 818768331 /nfs/dbraw/zinc/76/83/31/818768331.db2.gz ZNTSTOCRQKCXFH-JHJVBQTASA-N 1 2 287.367 0.580 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033595125 818844122 /nfs/dbraw/zinc/84/41/22/818844122.db2.gz ATIAPSHGUCSYPN-QWRGUYRKSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033595125 818844123 /nfs/dbraw/zinc/84/41/23/818844123.db2.gz ATIAPSHGUCSYPN-QWRGUYRKSA-N 1 2 285.775 0.550 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128694920 818852158 /nfs/dbraw/zinc/85/21/58/818852158.db2.gz WNESENRZLKYUKZ-MNOVXSKESA-N 1 2 281.385 0.169 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128694920 818852167 /nfs/dbraw/zinc/85/21/67/818852167.db2.gz WNESENRZLKYUKZ-MNOVXSKESA-N 1 2 281.385 0.169 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2C)C1 ZINC001035303207 819454950 /nfs/dbraw/zinc/45/49/50/819454950.db2.gz PBDPVUIPCAZBMF-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ncoc2C)C1 ZINC001035303207 819454955 /nfs/dbraw/zinc/45/49/55/819454955.db2.gz PBDPVUIPCAZBMF-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035315849 819467342 /nfs/dbraw/zinc/46/73/42/819467342.db2.gz GZNCLQCVEXRXMO-NSHDSACASA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035315849 819467345 /nfs/dbraw/zinc/46/73/45/819467345.db2.gz GZNCLQCVEXRXMO-NSHDSACASA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035320075 819468536 /nfs/dbraw/zinc/46/85/36/819468536.db2.gz WKEVWWNUPWGQEJ-VXGBXAGGSA-N 1 2 254.330 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035320075 819468539 /nfs/dbraw/zinc/46/85/39/819468539.db2.gz WKEVWWNUPWGQEJ-VXGBXAGGSA-N 1 2 254.330 0.026 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001035325562 819472819 /nfs/dbraw/zinc/47/28/19/819472819.db2.gz BRBJSEJANHCOMQ-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001035325562 819472823 /nfs/dbraw/zinc/47/28/23/819472823.db2.gz BRBJSEJANHCOMQ-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035336901 819479569 /nfs/dbraw/zinc/47/95/69/819479569.db2.gz MVMZIPZTQOTYFB-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035336901 819479573 /nfs/dbraw/zinc/47/95/73/819479573.db2.gz MVMZIPZTQOTYFB-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035355996 819497436 /nfs/dbraw/zinc/49/74/36/819497436.db2.gz KQWCESTUJLGCOX-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035355996 819497442 /nfs/dbraw/zinc/49/74/42/819497442.db2.gz KQWCESTUJLGCOX-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174988 819510326 /nfs/dbraw/zinc/51/03/26/819510326.db2.gz NJZNZWBRXKZVIC-UTUOFQBUSA-N 1 2 279.319 0.001 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174988 819510331 /nfs/dbraw/zinc/51/03/31/819510331.db2.gz NJZNZWBRXKZVIC-UTUOFQBUSA-N 1 2 279.319 0.001 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001035423169 819512247 /nfs/dbraw/zinc/51/22/47/819512247.db2.gz IPNAFWWUBFMTAE-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001035423169 819512251 /nfs/dbraw/zinc/51/22/51/819512251.db2.gz IPNAFWWUBFMTAE-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035485044 819533640 /nfs/dbraw/zinc/53/36/40/819533640.db2.gz MTDGYXFIWXBTHR-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035485044 819533643 /nfs/dbraw/zinc/53/36/43/819533643.db2.gz MTDGYXFIWXBTHR-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507824 819544444 /nfs/dbraw/zinc/54/44/44/819544444.db2.gz FBWNZWOEIOPRST-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507824 819544452 /nfs/dbraw/zinc/54/44/52/819544452.db2.gz FBWNZWOEIOPRST-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001035520903 819553765 /nfs/dbraw/zinc/55/37/65/819553765.db2.gz GQSOWGSIZCUABD-GFCCVEGCSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001035520903 819553769 /nfs/dbraw/zinc/55/37/69/819553769.db2.gz GQSOWGSIZCUABD-GFCCVEGCSA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nocc2C)C1 ZINC001035572745 819562472 /nfs/dbraw/zinc/56/24/72/819562472.db2.gz IYOCUMBHFACTLL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nocc2C)C1 ZINC001035572745 819562473 /nfs/dbraw/zinc/56/24/73/819562473.db2.gz IYOCUMBHFACTLL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001035548710 819562660 /nfs/dbraw/zinc/56/26/60/819562660.db2.gz YOFKHRLKLWFBGD-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001035548710 819562667 /nfs/dbraw/zinc/56/26/67/819562667.db2.gz YOFKHRLKLWFBGD-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035593452 819581068 /nfs/dbraw/zinc/58/10/68/819581068.db2.gz WLPWJTMOTJJBIP-CYBMUJFWSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035593452 819581075 /nfs/dbraw/zinc/58/10/75/819581075.db2.gz WLPWJTMOTJJBIP-CYBMUJFWSA-N 1 2 291.351 0.794 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NCC#N ZINC001036002716 819664465 /nfs/dbraw/zinc/66/44/65/819664465.db2.gz BYXMCXJOGSHGGJ-NWDGAFQWSA-N 1 2 275.356 0.692 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)[C@@H](C)C1 ZINC001036273432 819718467 /nfs/dbraw/zinc/71/84/67/819718467.db2.gz GSGLQLURJDYNLK-JQWIXIFHSA-N 1 2 275.356 0.611 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001036314927 819724127 /nfs/dbraw/zinc/72/41/27/819724127.db2.gz PCLYSGIKIMIKOI-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108185614 820099657 /nfs/dbraw/zinc/09/96/57/820099657.db2.gz AQGRLTLEQZTHCX-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108185614 820099667 /nfs/dbraw/zinc/09/96/67/820099667.db2.gz AQGRLTLEQZTHCX-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3sccc3[nH]2)[C@@H](O)C1 ZINC001083916704 820254197 /nfs/dbraw/zinc/25/41/97/820254197.db2.gz SSDJCSPSBQKNTQ-NEPJUHHUSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3sccc3[nH]2)[C@@H](O)C1 ZINC001083916704 820254203 /nfs/dbraw/zinc/25/42/03/820254203.db2.gz SSDJCSPSBQKNTQ-NEPJUHHUSA-N 1 2 289.360 0.638 20 30 CCEDLO C=CCCC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080032294 820507680 /nfs/dbraw/zinc/50/76/80/820507680.db2.gz VWUYQQCVNLNVSQ-UHFFFAOYSA-N 1 2 290.367 0.909 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001080419565 820572970 /nfs/dbraw/zinc/57/29/70/820572970.db2.gz BPJCYOMROAODJA-LLVKDONJSA-N 1 2 289.339 0.102 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001081524457 820784083 /nfs/dbraw/zinc/78/40/83/820784083.db2.gz AFAPNRHASNOKDB-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001081524457 820784086 /nfs/dbraw/zinc/78/40/86/820784086.db2.gz AFAPNRHASNOKDB-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081578449 820792374 /nfs/dbraw/zinc/79/23/74/820792374.db2.gz DUUCKFMTKLPCBW-ZYHUDNBSSA-N 1 2 277.324 0.402 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081578449 820792382 /nfs/dbraw/zinc/79/23/82/820792382.db2.gz DUUCKFMTKLPCBW-ZYHUDNBSSA-N 1 2 277.324 0.402 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@H](OC)C1 ZINC001081946941 820868672 /nfs/dbraw/zinc/86/86/72/820868672.db2.gz BBUVNRRGFSJLSP-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@H](OC)C1 ZINC001081946941 820868675 /nfs/dbraw/zinc/86/86/75/820868675.db2.gz BBUVNRRGFSJLSP-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@H](OC)C1 ZINC001082121679 820900633 /nfs/dbraw/zinc/90/06/33/820900633.db2.gz FRDWTIDOPJKQOL-GHMZBOCLSA-N 1 2 298.293 0.410 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@H](OC)C1 ZINC001082121679 820900635 /nfs/dbraw/zinc/90/06/35/820900635.db2.gz FRDWTIDOPJKQOL-GHMZBOCLSA-N 1 2 298.293 0.410 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@H](OC)C1 ZINC001082186283 820914975 /nfs/dbraw/zinc/91/49/75/820914975.db2.gz MITNBKCCTLIHOR-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@H](OC)C1 ZINC001082186283 820914977 /nfs/dbraw/zinc/91/49/77/820914977.db2.gz MITNBKCCTLIHOR-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C(CC)CC)[C@H]2C1 ZINC001083006704 821117433 /nfs/dbraw/zinc/11/74/33/821117433.db2.gz SNUHMAMWDXOFKY-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(CC)CC)[C@H]2C1 ZINC001083006704 821117441 /nfs/dbraw/zinc/11/74/41/821117441.db2.gz SNUHMAMWDXOFKY-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC3(F)F)[C@H]2C1 ZINC001083073650 821118470 /nfs/dbraw/zinc/11/84/70/821118470.db2.gz NOFRLRBJVYPUQH-GARJFASQSA-N 1 2 270.279 0.186 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC3(F)F)[C@H]2C1 ZINC001083073650 821118472 /nfs/dbraw/zinc/11/84/72/821118472.db2.gz NOFRLRBJVYPUQH-GARJFASQSA-N 1 2 270.279 0.186 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001083976652 821178746 /nfs/dbraw/zinc/17/87/46/821178746.db2.gz AGXAXXBYSHYRFO-OLZOCXBDSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001083976652 821178754 /nfs/dbraw/zinc/17/87/54/821178754.db2.gz AGXAXXBYSHYRFO-OLZOCXBDSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084075777 821186131 /nfs/dbraw/zinc/18/61/31/821186131.db2.gz UDWSQNLTNWJJFT-DFBGVHRSSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084075777 821186139 /nfs/dbraw/zinc/18/61/39/821186139.db2.gz UDWSQNLTNWJJFT-DFBGVHRSSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001084735955 821369989 /nfs/dbraw/zinc/36/99/89/821369989.db2.gz NKNDEDCCGZOLQM-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001084735955 821369999 /nfs/dbraw/zinc/36/99/99/821369999.db2.gz NKNDEDCCGZOLQM-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC001119626777 821400975 /nfs/dbraw/zinc/40/09/75/821400975.db2.gz FOADWIAJVDXLHC-UWVGGRQHSA-N 1 2 260.297 0.694 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084813501 821401369 /nfs/dbraw/zinc/40/13/69/821401369.db2.gz HYQCBCRLEHHOMS-VXGBXAGGSA-N 1 2 295.774 0.563 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084813501 821401373 /nfs/dbraw/zinc/40/13/73/821401373.db2.gz HYQCBCRLEHHOMS-VXGBXAGGSA-N 1 2 295.774 0.563 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(F)c1C#N ZINC000712276441 821443964 /nfs/dbraw/zinc/44/39/64/821443964.db2.gz HVVPLWJXQLLABW-SECBINFHSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(F)c1C#N ZINC000712276441 821443957 /nfs/dbraw/zinc/44/39/57/821443957.db2.gz HVVPLWJXQLLABW-SECBINFHSA-N 1 2 283.328 0.680 20 30 CCEDLO Cc1ncc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1C#N ZINC000712277855 821491976 /nfs/dbraw/zinc/49/19/76/821491976.db2.gz VAKQNGHNENFAEY-LLVKDONJSA-N 1 2 280.353 0.244 20 30 CCEDLO Cc1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1C#N ZINC000712277855 821491978 /nfs/dbraw/zinc/49/19/78/821491978.db2.gz VAKQNGHNENFAEY-LLVKDONJSA-N 1 2 280.353 0.244 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2nccnc2N)C1=O ZINC001273273850 821544382 /nfs/dbraw/zinc/54/43/82/821544382.db2.gz DKUNKQSAQLCPQC-HNNXBMFYSA-N 1 2 287.367 0.812 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2nccnc2N)C1=O ZINC001273273850 821544384 /nfs/dbraw/zinc/54/43/84/821544384.db2.gz DKUNKQSAQLCPQC-HNNXBMFYSA-N 1 2 287.367 0.812 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001085406323 821679816 /nfs/dbraw/zinc/67/98/16/821679816.db2.gz ZPNUYLOXCBQZBL-VXGBXAGGSA-N 1 2 275.356 0.801 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001085590180 821834065 /nfs/dbraw/zinc/83/40/65/821834065.db2.gz GJYCGRMVAUOURX-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001085590180 821834071 /nfs/dbraw/zinc/83/40/71/821834071.db2.gz GJYCGRMVAUOURX-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085596253 821836982 /nfs/dbraw/zinc/83/69/82/821836982.db2.gz YDWCWTOLKKQHEA-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085596253 821836991 /nfs/dbraw/zinc/83/69/91/821836991.db2.gz YDWCWTOLKKQHEA-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634370 821865521 /nfs/dbraw/zinc/86/55/21/821865521.db2.gz OVPJQGCLMXZOJU-LBPRGKRZSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634370 821865529 /nfs/dbraw/zinc/86/55/29/821865529.db2.gz OVPJQGCLMXZOJU-LBPRGKRZSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC(F)F)n1 ZINC001085658069 821876986 /nfs/dbraw/zinc/87/69/86/821876986.db2.gz IMVFDMCICRJTCQ-NSHDSACASA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC(F)F)n1 ZINC001085658069 821876990 /nfs/dbraw/zinc/87/69/90/821876990.db2.gz IMVFDMCICRJTCQ-NSHDSACASA-N 1 2 296.321 0.928 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085650064 821880658 /nfs/dbraw/zinc/88/06/58/821880658.db2.gz GVHGJKHGJIJRBC-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085650064 821880667 /nfs/dbraw/zinc/88/06/67/821880667.db2.gz GVHGJKHGJIJRBC-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2c1CC(=O)N2 ZINC001085696925 821905203 /nfs/dbraw/zinc/90/52/03/821905203.db2.gz XEPVBAQFLZSRQK-LLVKDONJSA-N 1 2 298.346 0.356 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2c1CC(=O)N2 ZINC001085696925 821905207 /nfs/dbraw/zinc/90/52/07/821905207.db2.gz XEPVBAQFLZSRQK-LLVKDONJSA-N 1 2 298.346 0.356 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085713150 821915340 /nfs/dbraw/zinc/91/53/40/821915340.db2.gz CKTYKBGNHWMUCQ-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085713150 821915346 /nfs/dbraw/zinc/91/53/46/821915346.db2.gz CKTYKBGNHWMUCQ-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001085714557 821915417 /nfs/dbraw/zinc/91/54/17/821915417.db2.gz NFJUCPYTYHYVFA-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001085714557 821915426 /nfs/dbraw/zinc/91/54/26/821915426.db2.gz NFJUCPYTYHYVFA-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(N)=O)cc1 ZINC001085756799 821937546 /nfs/dbraw/zinc/93/75/46/821937546.db2.gz QJXUQCIGXVCUTK-WFASDCNBSA-N 1 2 299.374 0.688 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(N)=O)cc1 ZINC001085756799 821937557 /nfs/dbraw/zinc/93/75/57/821937557.db2.gz QJXUQCIGXVCUTK-WFASDCNBSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccn2cc(C)nc12 ZINC001085914027 822012458 /nfs/dbraw/zinc/01/24/58/822012458.db2.gz QHRIBOGLJTYBLC-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccn2cc(C)nc12 ZINC001085914027 822012464 /nfs/dbraw/zinc/01/24/64/822012464.db2.gz QHRIBOGLJTYBLC-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001085922631 822018248 /nfs/dbraw/zinc/01/82/48/822018248.db2.gz HJIBWWJKEYBKHB-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001085922631 822018252 /nfs/dbraw/zinc/01/82/52/822018252.db2.gz HJIBWWJKEYBKHB-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001108225635 822031423 /nfs/dbraw/zinc/03/14/23/822031423.db2.gz WZWBIXWIBLFPME-YCPHGPKFSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001108225635 822031432 /nfs/dbraw/zinc/03/14/32/822031432.db2.gz WZWBIXWIBLFPME-YCPHGPKFSA-N 1 2 294.395 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086002315 822067325 /nfs/dbraw/zinc/06/73/25/822067325.db2.gz GIQKBGYYDIGDNH-ZDUSSCGKSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086002315 822067334 /nfs/dbraw/zinc/06/73/34/822067334.db2.gz GIQKBGYYDIGDNH-ZDUSSCGKSA-N 1 2 274.368 0.762 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001108233366 822068550 /nfs/dbraw/zinc/06/85/50/822068550.db2.gz SHXISMMOMQZGBO-UKRRQHHQSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001108233366 822068558 /nfs/dbraw/zinc/06/85/58/822068558.db2.gz SHXISMMOMQZGBO-UKRRQHHQSA-N 1 2 297.399 0.294 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCC#N)C1 ZINC001086202296 822152937 /nfs/dbraw/zinc/15/29/37/822152937.db2.gz RQAKWRLVRDVPFX-YVECIDJPSA-N 1 2 287.367 0.532 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1 ZINC001155724805 822239082 /nfs/dbraw/zinc/23/90/82/822239082.db2.gz GMZUPZYRHDFRCR-UHFFFAOYSA-N 1 2 296.371 0.992 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114050636 837417270 /nfs/dbraw/zinc/41/72/70/837417270.db2.gz GMOJBZWISFKZBA-JYAVWHMHSA-N 1 2 291.351 0.732 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114050636 837417273 /nfs/dbraw/zinc/41/72/73/837417273.db2.gz GMOJBZWISFKZBA-JYAVWHMHSA-N 1 2 291.351 0.732 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090474418 837417583 /nfs/dbraw/zinc/41/75/83/837417583.db2.gz CRHASHUNHOWLLH-NWDGAFQWSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090474418 837417591 /nfs/dbraw/zinc/41/75/91/837417591.db2.gz CRHASHUNHOWLLH-NWDGAFQWSA-N 1 2 298.774 0.636 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114067573 837422582 /nfs/dbraw/zinc/42/25/82/837422582.db2.gz UEHRSEOAGWQEBM-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114067573 837422586 /nfs/dbraw/zinc/42/25/86/837422586.db2.gz UEHRSEOAGWQEBM-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114263093 837491824 /nfs/dbraw/zinc/49/18/24/837491824.db2.gz OHCHMOLYBPZUPV-SCUASFONSA-N 1 2 289.335 0.259 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114263093 837491830 /nfs/dbraw/zinc/49/18/30/837491830.db2.gz OHCHMOLYBPZUPV-SCUASFONSA-N 1 2 289.335 0.259 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C)n2)C1 ZINC001108402356 836016934 /nfs/dbraw/zinc/01/69/34/836016934.db2.gz BTWJTZRBFUUHQW-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C)n2)C1 ZINC001108402356 836016946 /nfs/dbraw/zinc/01/69/46/836016946.db2.gz BTWJTZRBFUUHQW-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[NH2+]1 ZINC001169123922 836140027 /nfs/dbraw/zinc/14/00/27/836140027.db2.gz OMCYHUJSXRBRQH-SFYZADRCSA-N 1 2 291.267 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2OC)C[NH2+]1 ZINC001169129362 836143505 /nfs/dbraw/zinc/14/35/05/836143505.db2.gz MHLKNBVNZOFLDC-ZJUUUORDSA-N 1 2 276.296 0.277 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001108455822 836200040 /nfs/dbraw/zinc/20/00/40/836200040.db2.gz BWUHPAICRHOTDE-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO CCN(CC)C(=O)C[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001169462812 836296902 /nfs/dbraw/zinc/29/69/02/836296902.db2.gz HPQIQTSTFJPJNJ-NEPJUHHUSA-N 1 2 252.362 0.431 20 30 CCEDLO N#Cc1c[nH]c2ccnc(N3CC[NH2+]C[C@@H]3C#N)c12 ZINC001156328029 836319621 /nfs/dbraw/zinc/31/96/21/836319621.db2.gz YMDLGSTWQNKRFY-JTQLQIEISA-N 1 2 252.281 0.736 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001112624098 836829173 /nfs/dbraw/zinc/82/91/73/836829173.db2.gz ODFWBJPTSIDVQP-UHFFFAOYSA-N 1 2 292.383 0.933 20 30 CCEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1nccnc1C#N ZINC001113083412 837017493 /nfs/dbraw/zinc/01/74/93/837017493.db2.gz ZLJORNJNVRSYJE-QWRGUYRKSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113154381 837039402 /nfs/dbraw/zinc/03/94/02/837039402.db2.gz CVEJRJOIXRPLDS-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO COCC#CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172644 837045649 /nfs/dbraw/zinc/04/56/49/837045649.db2.gz NQSFYEXAPGNHJJ-UHFFFAOYSA-N 1 2 290.367 0.067 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2conc2C)CC1 ZINC001113286115 837074223 /nfs/dbraw/zinc/07/42/23/837074223.db2.gz VYXNNKWGWVFRHP-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001113314584 837087201 /nfs/dbraw/zinc/08/72/01/837087201.db2.gz MZQQNEHZOPMISW-UHFFFAOYSA-N 1 2 282.319 0.509 20 30 CCEDLO C=CCCC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001113518796 837145304 /nfs/dbraw/zinc/14/53/04/837145304.db2.gz YDURPZNBOGVFBD-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO Cc1nc(N(C)[C@H](C)CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001113536818 837150321 /nfs/dbraw/zinc/15/03/21/837150321.db2.gz BWBUXSCBUMZOJD-NXEZZACHSA-N 1 2 261.329 0.886 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090466339 837288823 /nfs/dbraw/zinc/28/88/23/837288823.db2.gz JVSNZKYXMWHXMH-ZJUUUORDSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090466339 837288832 /nfs/dbraw/zinc/28/88/32/837288832.db2.gz JVSNZKYXMWHXMH-ZJUUUORDSA-N 1 2 285.731 0.592 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCOCC)CC1 ZINC001131345384 838059065 /nfs/dbraw/zinc/05/90/65/838059065.db2.gz XEKQAPGUUSYGQB-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCOCC)CC1 ZINC001131345384 838059077 /nfs/dbraw/zinc/05/90/77/838059077.db2.gz XEKQAPGUUSYGQB-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131874696 838252228 /nfs/dbraw/zinc/25/22/28/838252228.db2.gz CGFUKTDMSCYYJE-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131874696 838252236 /nfs/dbraw/zinc/25/22/36/838252236.db2.gz CGFUKTDMSCYYJE-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131935283 838267653 /nfs/dbraw/zinc/26/76/53/838267653.db2.gz UHIBOPRDRKENIO-VHSXEESVSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131935283 838267665 /nfs/dbraw/zinc/26/76/65/838267665.db2.gz UHIBOPRDRKENIO-VHSXEESVSA-N 1 2 273.764 0.583 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1CNCC#N ZINC001184901189 844308850 /nfs/dbraw/zinc/30/88/50/844308850.db2.gz BDEPGFSDYSOHNT-KBPBESRZSA-N 1 2 289.383 0.871 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133564713 838668942 /nfs/dbraw/zinc/66/89/42/838668942.db2.gz VVRPHQOEZIMXOG-UHFFFAOYSA-N 1 2 250.302 0.632 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001273507436 844451210 /nfs/dbraw/zinc/45/12/10/844451210.db2.gz ACSIBISEGHJFPM-CQSZACIVSA-N 1 2 296.371 0.677 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001273507436 844451218 /nfs/dbraw/zinc/45/12/18/844451218.db2.gz ACSIBISEGHJFPM-CQSZACIVSA-N 1 2 296.371 0.677 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185833844 844463924 /nfs/dbraw/zinc/46/39/24/844463924.db2.gz NYWBDDVJTUYHLR-CYBMUJFWSA-N 1 2 275.356 0.574 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001136862846 839784579 /nfs/dbraw/zinc/78/45/79/839784579.db2.gz DIVXOYMMEFBRPD-UHFFFAOYSA-N 1 2 277.284 0.099 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001136862846 839784588 /nfs/dbraw/zinc/78/45/88/839784588.db2.gz DIVXOYMMEFBRPD-UHFFFAOYSA-N 1 2 277.284 0.099 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090810015 839826790 /nfs/dbraw/zinc/82/67/90/839826790.db2.gz WKPXURRUTARKNI-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090810015 839826796 /nfs/dbraw/zinc/82/67/96/839826796.db2.gz WKPXURRUTARKNI-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090850794 839853921 /nfs/dbraw/zinc/85/39/21/839853921.db2.gz WEDQLSFPGFUHHE-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090850794 839853926 /nfs/dbraw/zinc/85/39/26/839853926.db2.gz WEDQLSFPGFUHHE-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(C)C[NH2+]CCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001147369145 840571888 /nfs/dbraw/zinc/57/18/88/840571888.db2.gz LARLOQHXTQHIRW-UHFFFAOYSA-N 1 2 288.355 0.706 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC001148389802 840790759 /nfs/dbraw/zinc/79/07/59/840790759.db2.gz VHGPZOCNXYOGCC-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(CC)no2)nc1 ZINC001148376201 840795967 /nfs/dbraw/zinc/79/59/67/840795967.db2.gz DKQRQOJCGHTELC-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC001092129946 840992846 /nfs/dbraw/zinc/99/28/46/840992846.db2.gz DKHQAQYNROTEBX-QWHCGFSZSA-N 1 2 290.367 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cncc3nc[nH]c32)[C@H](C)C1 ZINC001092624294 841051652 /nfs/dbraw/zinc/05/16/52/841051652.db2.gz LHRJQNVZTNYBDV-VXGBXAGGSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CC[N@H+]1C[C@@H](CNC(=O)c2cncc3nc[nH]c32)[C@H](C)C1 ZINC001092624294 841051664 /nfs/dbraw/zinc/05/16/64/841051664.db2.gz LHRJQNVZTNYBDV-VXGBXAGGSA-N 1 2 297.362 0.889 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851447 841395803 /nfs/dbraw/zinc/39/58/03/841395803.db2.gz LVUZOVPWFRLJQL-NEPJUHHUSA-N 1 2 273.340 0.399 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccccc3)CC2=O)C1 ZINC001094698100 841709893 /nfs/dbraw/zinc/70/98/93/841709893.db2.gz VDTFFAKRZAOOOI-AWEZNQCLSA-N 1 2 299.374 0.888 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C)CC2=O)C1 ZINC001094806076 841728440 /nfs/dbraw/zinc/72/84/40/841728440.db2.gz HEJNXVJPKIAVKF-NSHDSACASA-N 1 2 279.384 0.620 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172150391 841862991 /nfs/dbraw/zinc/86/29/91/841862991.db2.gz NPZXCVJPOXTKAO-GUBZILKMSA-N 1 2 272.370 0.201 20 30 CCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1[C@H](C)CCCC#N ZINC001172507836 841936711 /nfs/dbraw/zinc/93/67/11/841936711.db2.gz ZFRCCSWDZGYCGR-NEPJUHHUSA-N 1 2 281.356 0.822 20 30 CCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1[C@H](C)CCCC#N ZINC001172507836 841936720 /nfs/dbraw/zinc/93/67/20/841936720.db2.gz ZFRCCSWDZGYCGR-NEPJUHHUSA-N 1 2 281.356 0.822 20 30 CCEDLO C=CCOC1CCC([NH2+][C@H](CO)C(=O)OC)CC1 ZINC001173311707 842041566 /nfs/dbraw/zinc/04/15/66/842041566.db2.gz OKNJNLAPQJZINW-HTAVTVPLSA-N 1 2 257.330 0.624 20 30 CCEDLO COC(=O)[C@@H](CC(N)=O)[NH2+]C1CCC(CC#N)CC1 ZINC001173333579 842044212 /nfs/dbraw/zinc/04/42/12/842044212.db2.gz KHYUDBPMQIBPQJ-VQXHTEKXSA-N 1 2 267.329 0.465 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCC1 ZINC001176335467 842352238 /nfs/dbraw/zinc/35/22/38/842352238.db2.gz VXRGNKJKFYIBND-LLVKDONJSA-N 1 2 275.312 0.019 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCC1 ZINC001176335467 842352252 /nfs/dbraw/zinc/35/22/52/842352252.db2.gz VXRGNKJKFYIBND-LLVKDONJSA-N 1 2 275.312 0.019 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001176833658 842418835 /nfs/dbraw/zinc/41/88/35/842418835.db2.gz PQNFZABCMRNISD-UHFFFAOYSA-N 1 2 250.302 0.151 20 30 CCEDLO C=C[C@H]1C[C@]1(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001176837001 842423154 /nfs/dbraw/zinc/42/31/54/842423154.db2.gz VTQWDMFPJCXBIP-TVQRCGJNSA-N 1 2 263.297 0.576 20 30 CCEDLO N#CC[C@@H](O)C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001176927232 842453450 /nfs/dbraw/zinc/45/34/50/842453450.db2.gz PNAPGIVHAPSFDA-BXKDBHETSA-N 1 2 256.252 0.862 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001176949656 842466775 /nfs/dbraw/zinc/46/67/75/842466775.db2.gz QRZZYWZAUDPYNP-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001176949656 842466780 /nfs/dbraw/zinc/46/67/80/842466780.db2.gz QRZZYWZAUDPYNP-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176968171 842473613 /nfs/dbraw/zinc/47/36/13/842473613.db2.gz COKUFSLMDZHYBV-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176968171 842473620 /nfs/dbraw/zinc/47/36/20/842473620.db2.gz COKUFSLMDZHYBV-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)Cc1ccnc(C#N)c1 ZINC001177672137 842647761 /nfs/dbraw/zinc/64/77/61/842647761.db2.gz BDBPCZBZZOWRGA-UHFFFAOYSA-N 1 2 299.334 0.655 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccnc(C#N)c1 ZINC001177675443 842649251 /nfs/dbraw/zinc/64/92/51/842649251.db2.gz YULNCTPETPSGLJ-UHFFFAOYSA-N 1 2 269.308 0.588 20 30 CCEDLO N#Cc1n[nH]cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101120 842756104 /nfs/dbraw/zinc/75/61/04/842756104.db2.gz PRGNLLXKHBJMKW-MRVPVSSYSA-N 1 2 256.269 0.679 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](C)C#N ZINC001179902718 843087225 /nfs/dbraw/zinc/08/72/25/843087225.db2.gz RQAGBTCAVWQNQS-KOLCDFICSA-N 1 2 278.312 0.170 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110246724 843579153 /nfs/dbraw/zinc/57/91/53/843579153.db2.gz MHLYPZIIDYJSRI-UPJWGTAASA-N 1 2 292.383 0.394 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110246724 843579156 /nfs/dbraw/zinc/57/91/56/843579156.db2.gz MHLYPZIIDYJSRI-UPJWGTAASA-N 1 2 292.383 0.394 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110395039 844736593 /nfs/dbraw/zinc/73/65/93/844736593.db2.gz UJMROAQYFPVSOU-LPWJVIDDSA-N 1 2 290.367 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110395039 844736597 /nfs/dbraw/zinc/73/65/97/844736597.db2.gz UJMROAQYFPVSOU-LPWJVIDDSA-N 1 2 290.367 0.170 20 30 CCEDLO C=CCN1CC2(CN(c3cc[nH+]c(OC)c3)C2)OCC1=O ZINC001273585256 845190587 /nfs/dbraw/zinc/19/05/87/845190587.db2.gz NRUKKRASOIYQSF-UHFFFAOYSA-N 1 2 289.335 0.694 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189909448 845262401 /nfs/dbraw/zinc/26/24/01/845262401.db2.gz CUUUUIXDKLGHES-ZDUSSCGKSA-N 1 2 289.383 0.651 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189909448 845262410 /nfs/dbraw/zinc/26/24/10/845262410.db2.gz CUUUUIXDKLGHES-ZDUSSCGKSA-N 1 2 289.383 0.651 20 30 CCEDLO C=CCC1(S(=O)(=O)NCCc2[nH+]ccn2C)CC1 ZINC001190847004 845518147 /nfs/dbraw/zinc/51/81/47/845518147.db2.gz RXKDVWBIILQOEQ-UHFFFAOYSA-N 1 2 269.370 0.991 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001191724320 845717856 /nfs/dbraw/zinc/71/78/56/845717856.db2.gz AXHIVGOBHNSNOE-MRVWCRGKSA-N 1 2 290.367 0.665 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001191724320 845717861 /nfs/dbraw/zinc/71/78/61/845717861.db2.gz AXHIVGOBHNSNOE-MRVWCRGKSA-N 1 2 290.367 0.665 20 30 CCEDLO Cc1ncc(C(=O)NCC[NH+]2CC3(COC3)C2)cc1C#N ZINC001192300687 845811258 /nfs/dbraw/zinc/81/12/58/845811258.db2.gz WKYNBGHLJKLXTC-UHFFFAOYSA-N 1 2 286.335 0.324 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001192503781 845857754 /nfs/dbraw/zinc/85/77/54/845857754.db2.gz LNTVRCUNSHZADW-HUUCEWRRSA-N 1 2 287.363 0.546 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001192503781 845857758 /nfs/dbraw/zinc/85/77/58/845857758.db2.gz LNTVRCUNSHZADW-HUUCEWRRSA-N 1 2 287.363 0.546 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001193184972 846028968 /nfs/dbraw/zinc/02/89/68/846028968.db2.gz CAWRYIABXVCDTP-VIFPVBQESA-N 1 2 268.342 0.625 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(CO)ccn2)CC1 ZINC001193927266 846171630 /nfs/dbraw/zinc/17/16/30/846171630.db2.gz RUUSRMNUOVEBAE-UHFFFAOYSA-N 1 2 261.325 0.518 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001195191190 846474053 /nfs/dbraw/zinc/47/40/53/846474053.db2.gz CUNGBOLFFAZMHM-UHFFFAOYSA-N 1 2 277.372 0.816 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001195191190 846474059 /nfs/dbraw/zinc/47/40/59/846474059.db2.gz CUNGBOLFFAZMHM-UHFFFAOYSA-N 1 2 277.372 0.816 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195314057 846504132 /nfs/dbraw/zinc/50/41/32/846504132.db2.gz GZQJSCTVMNTRTK-GFCCVEGCSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195314057 846504137 /nfs/dbraw/zinc/50/41/37/846504137.db2.gz GZQJSCTVMNTRTK-GFCCVEGCSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC(C)C2)CC1 ZINC001195460306 846536383 /nfs/dbraw/zinc/53/63/83/846536383.db2.gz WBBYOPPWWIBCTE-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC(C)C2)CC1 ZINC001195460306 846536387 /nfs/dbraw/zinc/53/63/87/846536387.db2.gz WBBYOPPWWIBCTE-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195467806 846546379 /nfs/dbraw/zinc/54/63/79/846546379.db2.gz VLTCUAZIPHWWKP-VXGBXAGGSA-N 1 2 256.321 0.311 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195467806 846546384 /nfs/dbraw/zinc/54/63/84/846546384.db2.gz VLTCUAZIPHWWKP-VXGBXAGGSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001196045149 846679437 /nfs/dbraw/zinc/67/94/37/846679437.db2.gz GWRNOIJDNFRWRY-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001196045149 846679446 /nfs/dbraw/zinc/67/94/46/846679446.db2.gz GWRNOIJDNFRWRY-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001197458711 846923748 /nfs/dbraw/zinc/92/37/48/846923748.db2.gz LPQQTWOMMKDUJG-NSHDSACASA-N 1 2 294.355 0.216 20 30 CCEDLO N#Cc1c(N)sc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC001198414574 847105950 /nfs/dbraw/zinc/10/59/50/847105950.db2.gz YEHPTXDCCJZZTJ-UHFFFAOYSA-N 1 2 252.299 0.837 20 30 CCEDLO N#Cc1c(N)sc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC001198414574 847105956 /nfs/dbraw/zinc/10/59/56/847105956.db2.gz YEHPTXDCCJZZTJ-UHFFFAOYSA-N 1 2 252.299 0.837 20 30 CCEDLO N#C[C@H]1CN(C(=S)NCC[NH+]2CCCCC2)CCC1=O ZINC001200424768 847634952 /nfs/dbraw/zinc/63/49/52/847634952.db2.gz CCCXZPCGGWGCCJ-LBPRGKRZSA-N 1 2 294.424 0.761 20 30 CCEDLO N#CC1CN(C(=S)NCC[NH+]2CCCCC2)CCC1=O ZINC001200424768 847634955 /nfs/dbraw/zinc/63/49/55/847634955.db2.gz CCCXZPCGGWGCCJ-LBPRGKRZSA-N 1 2 294.424 0.761 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CC(=C)C)C(=O)CO2 ZINC001273886598 847732199 /nfs/dbraw/zinc/73/21/99/847732199.db2.gz ZSGVUYIOYASBDN-LBPRGKRZSA-N 1 2 266.341 0.023 20 30 CCEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931270 847865869 /nfs/dbraw/zinc/86/58/69/847865869.db2.gz HLGFNIGAGDFZDP-LBPRGKRZSA-N 1 2 280.368 0.954 20 30 CCEDLO C=C[C@](C)(O)C[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001252575582 848014407 /nfs/dbraw/zinc/01/44/07/848014407.db2.gz CXNPGJGXZYDOQJ-HZMBPMFUSA-N 1 2 286.372 0.489 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1csnn1 ZINC001273991156 848213768 /nfs/dbraw/zinc/21/37/68/848213768.db2.gz OEUVTKDVDLVCQT-MUBLQREKSA-N 1 2 296.396 0.627 20 30 CCEDLO C[C@H](CNCC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001274819280 848573246 /nfs/dbraw/zinc/57/32/46/848573246.db2.gz XSGYMPNGXYTUAK-MNOVXSKESA-N 1 2 261.329 0.063 20 30 CCEDLO CC(C)(C)C#CC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001276051151 848910346 /nfs/dbraw/zinc/91/03/46/848910346.db2.gz ZPDGWGJIWUIVSI-UHFFFAOYSA-N 1 2 284.375 0.949 20 30 CCEDLO C#CCOCCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095644258 849003611 /nfs/dbraw/zinc/00/36/11/849003611.db2.gz OEHGRBAIUISOGD-UHFFFAOYSA-N 1 2 290.367 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290541 849839071 /nfs/dbraw/zinc/83/90/71/849839071.db2.gz PCQVXKDSYRSPLI-VIFPVBQESA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290541 849839076 /nfs/dbraw/zinc/83/90/76/849839076.db2.gz PCQVXKDSYRSPLI-VIFPVBQESA-N 1 2 268.267 0.716 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038404905 849883767 /nfs/dbraw/zinc/88/37/67/849883767.db2.gz DQGFXLYJGLRCBW-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038404905 849883773 /nfs/dbraw/zinc/88/37/73/849883773.db2.gz DQGFXLYJGLRCBW-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038760660 850007140 /nfs/dbraw/zinc/00/71/40/850007140.db2.gz JIVGKVXIQRDLNC-GFCCVEGCSA-N 1 2 290.367 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038760660 850007146 /nfs/dbraw/zinc/00/71/46/850007146.db2.gz JIVGKVXIQRDLNC-GFCCVEGCSA-N 1 2 290.367 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038826725 850030544 /nfs/dbraw/zinc/03/05/44/850030544.db2.gz NZYZHWBAVAXSHN-CYBMUJFWSA-N 1 2 274.368 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038826725 850030552 /nfs/dbraw/zinc/03/05/52/850030552.db2.gz NZYZHWBAVAXSHN-CYBMUJFWSA-N 1 2 274.368 0.957 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(N)=O)cc1 ZINC001038998390 850113949 /nfs/dbraw/zinc/11/39/49/850113949.db2.gz WPCYXAXRWPFNPP-CYBMUJFWSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(N)=O)cc1 ZINC001038998390 850113956 /nfs/dbraw/zinc/11/39/56/850113956.db2.gz WPCYXAXRWPFNPP-CYBMUJFWSA-N 1 2 286.335 0.615 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039017486 850121865 /nfs/dbraw/zinc/12/18/65/850121865.db2.gz OWOHBRVFKIIOOA-AWEZNQCLSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039017486 850121867 /nfs/dbraw/zinc/12/18/67/850121867.db2.gz OWOHBRVFKIIOOA-AWEZNQCLSA-N 1 2 285.347 0.613 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001039046439 850135923 /nfs/dbraw/zinc/13/59/23/850135923.db2.gz MUQHMCBEWZLMMN-AAEUAGOBSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001039046439 850135932 /nfs/dbraw/zinc/13/59/32/850135932.db2.gz MUQHMCBEWZLMMN-AAEUAGOBSA-N 1 2 272.352 0.338 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 ZINC001041953870 850540869 /nfs/dbraw/zinc/54/08/69/850540869.db2.gz PFAXQSMVRBOLGH-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 ZINC001041953870 850540872 /nfs/dbraw/zinc/54/08/72/850540872.db2.gz PFAXQSMVRBOLGH-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCC3)C1 ZINC001042859318 850771040 /nfs/dbraw/zinc/77/10/40/850771040.db2.gz FMTIKMIFGPKCOE-UHFFFAOYSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043134318 850819502 /nfs/dbraw/zinc/81/95/02/850819502.db2.gz XYVADTXVTPHFIB-GFCCVEGCSA-N 1 2 272.352 0.221 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001043186217 850825890 /nfs/dbraw/zinc/82/58/90/850825890.db2.gz HAMCNGYCFJXLSR-WDEREUQCSA-N 1 2 265.357 0.230 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001043391027 850866482 /nfs/dbraw/zinc/86/64/82/850866482.db2.gz AKCCJDRYJRNRTI-AAEUAGOBSA-N 1 2 250.342 0.577 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001043565433 850898810 /nfs/dbraw/zinc/89/88/10/850898810.db2.gz DIIMBSFFEDPYIW-ITGUQSILSA-N 1 2 250.342 0.598 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001043666089 850918930 /nfs/dbraw/zinc/91/89/30/850918930.db2.gz RBFSUVKXYDRYNS-UHFFFAOYSA-N 1 2 286.339 0.306 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001043941639 850969957 /nfs/dbraw/zinc/96/99/57/850969957.db2.gz JMROTLMJQOJXJL-UONOGXRCSA-N 1 2 274.368 0.852 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nn2CC)C1 ZINC001043962734 850971523 /nfs/dbraw/zinc/97/15/23/850971523.db2.gz WIYHOEGUGXBLJG-UHFFFAOYSA-N 1 2 274.368 0.991 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001043993892 850979694 /nfs/dbraw/zinc/97/96/94/850979694.db2.gz PWJWRMPALTYINN-OLZOCXBDSA-N 1 2 293.411 0.997 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001044147870 851022770 /nfs/dbraw/zinc/02/27/70/851022770.db2.gz DUZIJZBJXVGCSF-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001044170673 851030471 /nfs/dbraw/zinc/03/04/71/851030471.db2.gz STZPODHRIHFXQO-CYBMUJFWSA-N 1 2 292.383 0.086 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001044180950 851034656 /nfs/dbraw/zinc/03/46/56/851034656.db2.gz NKUYRUJAMLIQAX-LLVKDONJSA-N 1 2 289.383 0.628 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2c(C)csc2=O)C1 ZINC001044285827 851062354 /nfs/dbraw/zinc/06/23/54/851062354.db2.gz VWLMVJFHCUFQPF-UHFFFAOYSA-N 1 2 295.408 0.937 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(C)n2)C1 ZINC001044309971 851073306 /nfs/dbraw/zinc/07/33/06/851073306.db2.gz OHSMBPLIPXYDJM-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N ZINC001045882997 851329252 /nfs/dbraw/zinc/32/92/52/851329252.db2.gz FIZYDHSHZVBWAQ-OLZOCXBDSA-N 1 2 287.367 0.850 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001046003414 851346390 /nfs/dbraw/zinc/34/63/90/851346390.db2.gz FBETUTSRKHZSFS-AWEZNQCLSA-N 1 2 288.351 0.635 20 30 CCEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046983428 851652945 /nfs/dbraw/zinc/65/29/45/851652945.db2.gz DGWGAZOEVVXSFO-SNVBAGLBSA-N 1 2 297.309 0.515 20 30 CCEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046983428 851652947 /nfs/dbraw/zinc/65/29/47/851652947.db2.gz DGWGAZOEVVXSFO-SNVBAGLBSA-N 1 2 297.309 0.515 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001047304526 851704683 /nfs/dbraw/zinc/70/46/83/851704683.db2.gz HTFXCBAKKUMUMY-UWVGGRQHSA-N 1 2 282.727 0.683 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001047304526 851704686 /nfs/dbraw/zinc/70/46/86/851704686.db2.gz HTFXCBAKKUMUMY-UWVGGRQHSA-N 1 2 282.727 0.683 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001047596022 851829373 /nfs/dbraw/zinc/82/93/73/851829373.db2.gz NCPRGPNIQDDTFM-KBPBESRZSA-N 1 2 290.363 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001047596022 851829379 /nfs/dbraw/zinc/82/93/79/851829379.db2.gz NCPRGPNIQDDTFM-KBPBESRZSA-N 1 2 290.363 0.901 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096335869 851937996 /nfs/dbraw/zinc/93/79/96/851937996.db2.gz YWXNFOSNTKCQGV-GFCCVEGCSA-N 1 2 276.340 0.683 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691005 852350511 /nfs/dbraw/zinc/35/05/11/852350511.db2.gz JRWJHBHQQLLEMU-NXEZZACHSA-N 1 2 271.748 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691005 852350520 /nfs/dbraw/zinc/35/05/20/852350520.db2.gz JRWJHBHQQLLEMU-NXEZZACHSA-N 1 2 271.748 0.290 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751434 852366999 /nfs/dbraw/zinc/36/69/99/852366999.db2.gz VTFRQQTXHVXKMD-OLZOCXBDSA-N 1 2 273.340 0.541 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC001097738011 852596872 /nfs/dbraw/zinc/59/68/72/852596872.db2.gz XPGMJZSMRYYYPM-OXHZDVMGSA-N 1 2 299.378 0.579 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC001097738011 852596875 /nfs/dbraw/zinc/59/68/75/852596875.db2.gz XPGMJZSMRYYYPM-OXHZDVMGSA-N 1 2 299.378 0.579 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097860686 852633591 /nfs/dbraw/zinc/63/35/91/852633591.db2.gz PLCPWQLMMLSPLV-ZIQFBCGOSA-N 1 2 297.786 0.582 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097860686 852633594 /nfs/dbraw/zinc/63/35/94/852633594.db2.gz PLCPWQLMMLSPLV-ZIQFBCGOSA-N 1 2 297.786 0.582 20 30 CCEDLO CC[C@H](C[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2)OC ZINC001053190810 852706873 /nfs/dbraw/zinc/70/68/73/852706873.db2.gz GFFIZYZTRLLZEJ-QWHCGFSZSA-N 1 2 295.383 0.484 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CO[C@@H](C)C1)CCO2 ZINC001053316691 852728800 /nfs/dbraw/zinc/72/88/00/852728800.db2.gz UAEXICMRLFQFPW-KBPBESRZSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1csnn1)CCO2 ZINC001053359997 852732798 /nfs/dbraw/zinc/73/27/98/852732798.db2.gz AYZLITZFTZQDBC-UHFFFAOYSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCO1)O2 ZINC001053566283 852760431 /nfs/dbraw/zinc/76/04/31/852760431.db2.gz KFWXNJPPKFAFNK-QWHCGFSZSA-N 1 2 280.368 0.701 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn[nH]c1)O2 ZINC001053577980 852763916 /nfs/dbraw/zinc/76/39/16/852763916.db2.gz WYKUQHKRSCWAAN-GFCCVEGCSA-N 1 2 276.340 0.559 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1C)O2 ZINC001053580044 852765423 /nfs/dbraw/zinc/76/54/23/852765423.db2.gz AGBZGRCYGYMMJM-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCOCC1)CO2 ZINC001053717020 852785475 /nfs/dbraw/zinc/78/54/75/852785475.db2.gz DQQOFDHZJCKIKJ-CQSZACIVSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)[nH]1)CO2 ZINC001053759837 852808961 /nfs/dbraw/zinc/80/89/61/852808961.db2.gz OVMOTWMXYQSUJK-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCOCC1)CO2 ZINC001053785923 852819793 /nfs/dbraw/zinc/81/97/93/852819793.db2.gz VNZREGJHQZBYEP-AWEZNQCLSA-N 1 2 292.379 0.869 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001097921965 852862330 /nfs/dbraw/zinc/86/23/30/852862330.db2.gz NYDFGTZSMLQRDT-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO N#CCN1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249297 852896602 /nfs/dbraw/zinc/89/66/02/852896602.db2.gz RCJBJRNZVVMSJT-OAHLLOKOSA-N 1 2 287.367 0.721 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2C1 ZINC001054263986 852898832 /nfs/dbraw/zinc/89/88/32/852898832.db2.gz NURYCBSKDCCJJE-AWEZNQCLSA-N 1 2 299.330 0.360 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2C1 ZINC001054263986 852898834 /nfs/dbraw/zinc/89/88/34/852898834.db2.gz NURYCBSKDCCJJE-AWEZNQCLSA-N 1 2 299.330 0.360 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC001054795599 853016802 /nfs/dbraw/zinc/01/68/02/853016802.db2.gz ZHEKBGSSPBNJNX-DGCLKSJQSA-N 1 2 288.351 0.593 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001098006843 853123552 /nfs/dbraw/zinc/12/35/52/853123552.db2.gz NXKULYUEYBAKDU-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056657375 853181248 /nfs/dbraw/zinc/18/12/48/853181248.db2.gz SLWMWHUHJDEIBV-LLVKDONJSA-N 1 2 297.322 0.258 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnsn1 ZINC001050826279 853448818 /nfs/dbraw/zinc/44/88/18/853448818.db2.gz CKMGGCOUWULDJU-LLVKDONJSA-N 1 2 296.396 0.935 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnsn1 ZINC001050826279 853448823 /nfs/dbraw/zinc/44/88/23/853448823.db2.gz CKMGGCOUWULDJU-LLVKDONJSA-N 1 2 296.396 0.935 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001050865157 853466971 /nfs/dbraw/zinc/46/69/71/853466971.db2.gz ISAWWPOLYWJSKE-LBPRGKRZSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001050865157 853466976 /nfs/dbraw/zinc/46/69/76/853466976.db2.gz ISAWWPOLYWJSKE-LBPRGKRZSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050876443 853471241 /nfs/dbraw/zinc/47/12/41/853471241.db2.gz NARUNCUEWPVYJU-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050876443 853471244 /nfs/dbraw/zinc/47/12/44/853471244.db2.gz NARUNCUEWPVYJU-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001051990654 853672349 /nfs/dbraw/zinc/67/23/49/853672349.db2.gz UKLYNTSZWDTIDC-CYBMUJFWSA-N 1 2 289.383 0.428 20 30 CCEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001051990654 853672353 /nfs/dbraw/zinc/67/23/53/853672353.db2.gz UKLYNTSZWDTIDC-CYBMUJFWSA-N 1 2 289.383 0.428 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069906234 853996770 /nfs/dbraw/zinc/99/67/70/853996770.db2.gz KSRXOSAQZVJRQQ-YUTCNCBUSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069906234 853996772 /nfs/dbraw/zinc/99/67/72/853996772.db2.gz KSRXOSAQZVJRQQ-YUTCNCBUSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069925129 854004560 /nfs/dbraw/zinc/00/45/60/854004560.db2.gz WZSFAXAWPDSVGN-CABCVRRESA-N 1 2 299.378 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069925129 854004563 /nfs/dbraw/zinc/00/45/63/854004563.db2.gz WZSFAXAWPDSVGN-CABCVRRESA-N 1 2 299.378 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001069934412 854007564 /nfs/dbraw/zinc/00/75/64/854007564.db2.gz NXAHFRZLJHIJHN-NEPJUHHUSA-N 1 2 273.340 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001069934412 854007568 /nfs/dbraw/zinc/00/75/68/854007568.db2.gz NXAHFRZLJHIJHN-NEPJUHHUSA-N 1 2 273.340 0.053 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001070950030 854108108 /nfs/dbraw/zinc/10/81/08/854108108.db2.gz IHWHBYAACGDBQW-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001070950030 854108111 /nfs/dbraw/zinc/10/81/11/854108111.db2.gz IHWHBYAACGDBQW-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](F)CC)CC1 ZINC001070986753 854111529 /nfs/dbraw/zinc/11/15/29/854111529.db2.gz ASFAEYMSQIWCND-ZDUSSCGKSA-N 1 2 297.374 0.408 20 30 CCEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](F)CC)CC1 ZINC001070986753 854111533 /nfs/dbraw/zinc/11/15/33/854111533.db2.gz ASFAEYMSQIWCND-ZDUSSCGKSA-N 1 2 297.374 0.408 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1CC#N ZINC001071990382 854331635 /nfs/dbraw/zinc/33/16/35/854331635.db2.gz ZBQLIESCXJXWTI-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001072544638 854412226 /nfs/dbraw/zinc/41/22/26/854412226.db2.gz RYNJMBGLSLSJDU-NSHDSACASA-N 1 2 274.324 0.869 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001072544638 854412228 /nfs/dbraw/zinc/41/22/28/854412228.db2.gz RYNJMBGLSLSJDU-NSHDSACASA-N 1 2 274.324 0.869 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870256 854483838 /nfs/dbraw/zinc/48/38/38/854483838.db2.gz CJZHHXQJZOJFGB-CYBMUJFWSA-N 1 2 299.378 0.503 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001074159073 854681665 /nfs/dbraw/zinc/68/16/65/854681665.db2.gz YFMCDDCYVSJFIJ-CHWSQXEVSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001074159073 854681668 /nfs/dbraw/zinc/68/16/68/854681668.db2.gz YFMCDDCYVSJFIJ-CHWSQXEVSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174700 854686238 /nfs/dbraw/zinc/68/62/38/854686238.db2.gz QAANCWQFKHNDJD-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174700 854686242 /nfs/dbraw/zinc/68/62/42/854686242.db2.gz QAANCWQFKHNDJD-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174697 854686283 /nfs/dbraw/zinc/68/62/83/854686283.db2.gz QAANCWQFKHNDJD-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174697 854686285 /nfs/dbraw/zinc/68/62/85/854686285.db2.gz QAANCWQFKHNDJD-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074170263 854686361 /nfs/dbraw/zinc/68/63/61/854686361.db2.gz LFAAUACCQBVKOA-HUUCEWRRSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074170263 854686365 /nfs/dbraw/zinc/68/63/65/854686365.db2.gz LFAAUACCQBVKOA-HUUCEWRRSA-N 1 2 287.363 0.953 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001074362362 854714447 /nfs/dbraw/zinc/71/44/47/854714447.db2.gz CNDLTRNMJZQWOG-CHWSQXEVSA-N 1 2 292.339 0.561 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001074362362 854714451 /nfs/dbraw/zinc/71/44/51/854714451.db2.gz CNDLTRNMJZQWOG-CHWSQXEVSA-N 1 2 292.339 0.561 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098490968 854870193 /nfs/dbraw/zinc/87/01/93/854870193.db2.gz PKVABIIGWLNVLZ-UTUOFQBUSA-N 1 2 259.313 0.128 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccoc3)C2)nn1 ZINC001098611557 854872777 /nfs/dbraw/zinc/87/27/77/854872777.db2.gz LFDGWLQNVCLVGC-CQSZACIVSA-N 1 2 299.334 0.681 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001099262342 854923891 /nfs/dbraw/zinc/92/38/91/854923891.db2.gz SAYFGKSTEKVDGE-LBPRGKRZSA-N 1 2 298.350 0.579 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001099668580 854961684 /nfs/dbraw/zinc/96/16/84/854961684.db2.gz FCYLXXULNQFOEI-KGLIPLIRSA-N 1 2 280.368 0.320 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001099668580 854961687 /nfs/dbraw/zinc/96/16/87/854961687.db2.gz FCYLXXULNQFOEI-KGLIPLIRSA-N 1 2 280.368 0.320 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOCC)[C@H](O)C1 ZINC001099729181 854978765 /nfs/dbraw/zinc/97/87/65/854978765.db2.gz DERBGXXBVCAMOM-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOCC)[C@H](O)C1 ZINC001099729181 854978774 /nfs/dbraw/zinc/97/87/74/854978774.db2.gz DERBGXXBVCAMOM-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001100250904 855129294 /nfs/dbraw/zinc/12/92/94/855129294.db2.gz SZOBMZOEIPFCKV-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001100589743 855194606 /nfs/dbraw/zinc/19/46/06/855194606.db2.gz PNJPERYCULLPMY-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)Cc1c[nH+]cn1C ZINC001101695215 855345267 /nfs/dbraw/zinc/34/52/67/855345267.db2.gz UFZGQNNZHVSHAN-UHFFFAOYSA-N 1 2 299.338 0.195 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccncc1C#N ZINC001101718449 855351904 /nfs/dbraw/zinc/35/19/04/855351904.db2.gz YBCFZWSGCAAFML-UHFFFAOYSA-N 1 2 298.350 0.520 20 30 CCEDLO CN(CCNc1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728855 855356222 /nfs/dbraw/zinc/35/62/22/855356222.db2.gz ODSQHILGSPFRCP-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030752 855409778 /nfs/dbraw/zinc/40/97/78/855409778.db2.gz BMCBOAMRQTXRPV-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925286 855477381 /nfs/dbraw/zinc/47/73/81/855477381.db2.gz PGHJUASVUXRXNM-CHWSQXEVSA-N 1 2 289.383 0.940 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001117786171 856079113 /nfs/dbraw/zinc/07/91/13/856079113.db2.gz JMHXXPKLHGFHAL-QWRGUYRKSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001119322226 856630469 /nfs/dbraw/zinc/63/04/69/856630469.db2.gz JHGDELQVUVNCRO-FRRDWIJNSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CC[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC001119626776 856788242 /nfs/dbraw/zinc/78/82/42/856788242.db2.gz FOADWIAJVDXLHC-NXEZZACHSA-N 1 2 260.297 0.694 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC001119693974 856839617 /nfs/dbraw/zinc/83/96/17/856839617.db2.gz XFJDFEVXBCPBNR-LLVKDONJSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC001119693974 856839624 /nfs/dbraw/zinc/83/96/24/856839624.db2.gz XFJDFEVXBCPBNR-LLVKDONJSA-N 1 2 281.356 0.594 20 30 CCEDLO N#CCNC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248840 857016490 /nfs/dbraw/zinc/01/64/90/857016490.db2.gz YQPHWZXRLVXDMA-UHFFFAOYSA-N 1 2 275.356 0.815 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001323242852 912217162 /nfs/dbraw/zinc/21/71/62/912217162.db2.gz NYKBBWJUDMTBDI-CYBMUJFWSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001323242852 912217144 /nfs/dbraw/zinc/21/71/44/912217144.db2.gz NYKBBWJUDMTBDI-CYBMUJFWSA-N 1 2 260.341 0.269 20 30 CCEDLO C=C(C)CCC(=O)NCC1([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001323456646 912354609 /nfs/dbraw/zinc/35/46/09/912354609.db2.gz LUGYXZDHTJPBSM-NSHDSACASA-N 1 2 292.387 0.866 20 30 CCEDLO N#CCNC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323479912 912367870 /nfs/dbraw/zinc/36/78/70/912367870.db2.gz ODFVNRJOLCNGDX-LLVKDONJSA-N 1 2 273.340 0.207 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001323887868 912563071 /nfs/dbraw/zinc/56/30/71/912563071.db2.gz WFSCQPBZQRNJEH-AWEZNQCLSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(Cl)CN1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001393517781 912618736 /nfs/dbraw/zinc/61/87/36/912618736.db2.gz ATRHFPSMQDCHIB-LLVKDONJSA-N 1 2 298.774 0.522 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001394028846 912921131 /nfs/dbraw/zinc/92/11/31/912921131.db2.gz CYYYEZDTHKLXNN-UWVGGRQHSA-N 1 2 275.780 0.700 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001394028846 912921141 /nfs/dbraw/zinc/92/11/41/912921141.db2.gz CYYYEZDTHKLXNN-UWVGGRQHSA-N 1 2 275.780 0.700 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@](C)(CNCC#N)C1 ZINC001324764838 913022871 /nfs/dbraw/zinc/02/28/71/913022871.db2.gz XRBZMMJJEFLNKF-OAHLLOKOSA-N 1 2 289.383 0.704 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC001394289658 913117344 /nfs/dbraw/zinc/11/73/44/913117344.db2.gz NMHCVSDRYCBTNZ-PWSUYJOCSA-N 1 2 290.371 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC001394289658 913117352 /nfs/dbraw/zinc/11/73/52/913117352.db2.gz NMHCVSDRYCBTNZ-PWSUYJOCSA-N 1 2 290.371 0.301 20 30 CCEDLO O=C(C#CC1CC1)NCC1(O)C[NH+](C[C@H]2CCCCO2)C1 ZINC001325207731 913279596 /nfs/dbraw/zinc/27/95/96/913279596.db2.gz PAZNXERNDUTCFL-CQSZACIVSA-N 1 2 292.379 0.132 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC001325205753 913281196 /nfs/dbraw/zinc/28/11/96/913281196.db2.gz HEEWEZAARUMRCO-NSHDSACASA-N 1 2 295.339 0.422 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC001325205753 913281208 /nfs/dbraw/zinc/28/12/08/913281208.db2.gz HEEWEZAARUMRCO-NSHDSACASA-N 1 2 295.339 0.422 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001493402919 891435318 /nfs/dbraw/zinc/43/53/18/891435318.db2.gz JSBXUTBYBDAKTI-UHFFFAOYSA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001493402919 891435323 /nfs/dbraw/zinc/43/53/23/891435323.db2.gz JSBXUTBYBDAKTI-UHFFFAOYSA-N 1 2 296.758 0.717 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001481058848 892119690 /nfs/dbraw/zinc/11/96/90/892119690.db2.gz IPCMCOAQIDDTJQ-NEPJUHHUSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001481058848 892119705 /nfs/dbraw/zinc/11/97/05/892119705.db2.gz IPCMCOAQIDDTJQ-NEPJUHHUSA-N 1 2 290.367 0.007 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001283744250 892332051 /nfs/dbraw/zinc/33/20/51/892332051.db2.gz FARRPKRCPVVKTP-MWLCHTKSSA-N 1 2 281.360 0.207 20 30 CCEDLO N#CCN1CCC(NC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001325967120 913663281 /nfs/dbraw/zinc/66/32/81/913663281.db2.gz AYRFSYRWEIJJEP-UHFFFAOYSA-N 1 2 288.355 0.396 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC001481532314 892779812 /nfs/dbraw/zinc/77/98/12/892779812.db2.gz PFCMWCAXJABOPW-NSHDSACASA-N 1 2 292.339 0.171 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC001481532314 892779819 /nfs/dbraw/zinc/77/98/19/892779819.db2.gz PFCMWCAXJABOPW-NSHDSACASA-N 1 2 292.339 0.171 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001481551032 892811756 /nfs/dbraw/zinc/81/17/56/892811756.db2.gz SZMHTNNBYOEIEQ-AAEUAGOBSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001481617301 892909479 /nfs/dbraw/zinc/90/94/79/892909479.db2.gz DGGGZGPZFRZHIX-UHFFFAOYSA-N 1 2 281.381 0.894 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481642695 892953468 /nfs/dbraw/zinc/95/34/68/892953468.db2.gz NQSGMPKRMYUNRG-QMTHXVAHSA-N 1 2 267.373 0.511 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001481688539 892999965 /nfs/dbraw/zinc/99/99/65/892999965.db2.gz ZCSIFLONDQNHJQ-NEPJUHHUSA-N 1 2 293.392 0.872 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001481688539 892999975 /nfs/dbraw/zinc/99/99/75/892999975.db2.gz ZCSIFLONDQNHJQ-NEPJUHHUSA-N 1 2 293.392 0.872 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1nc(C)no1 ZINC001481809805 893175076 /nfs/dbraw/zinc/17/50/76/893175076.db2.gz BDOMTNDAZAMCPC-ZYHUDNBSSA-N 1 2 294.355 0.401 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001408940532 893425722 /nfs/dbraw/zinc/42/57/22/893425722.db2.gz WEXRBIKVQDLMSR-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191162 893482146 /nfs/dbraw/zinc/48/21/46/893482146.db2.gz AFTJEIGWVALJQU-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191162 893482155 /nfs/dbraw/zinc/48/21/55/893482155.db2.gz AFTJEIGWVALJQU-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362316749 893546361 /nfs/dbraw/zinc/54/63/61/893546361.db2.gz AAMGJABIHLZXQP-JQWIXIFHSA-N 1 2 279.340 0.432 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001269787454 893644656 /nfs/dbraw/zinc/64/46/56/893644656.db2.gz LXJNUCGPVRBMRN-LBPRGKRZSA-N 1 2 290.367 0.101 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001409071532 894101675 /nfs/dbraw/zinc/10/16/75/894101675.db2.gz VNOSZEOBJPPOTE-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1[nH]ncc1F ZINC001271293854 894111951 /nfs/dbraw/zinc/11/19/51/894111951.db2.gz MENXGUSGGNDSQZ-SNVBAGLBSA-N 1 2 266.320 0.916 20 30 CCEDLO N#Cc1cncc(CNS(=O)(=O)CCn2cc[nH+]c2)c1 ZINC001414340080 894394304 /nfs/dbraw/zinc/39/43/04/894394304.db2.gz ALGXAMKMYJIMEQ-UHFFFAOYSA-N 1 2 291.336 0.269 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001496757545 894421649 /nfs/dbraw/zinc/42/16/49/894421649.db2.gz GCGFZASWUCQVSP-QWRGUYRKSA-N 1 2 287.791 0.641 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001496757545 894421657 /nfs/dbraw/zinc/42/16/57/894421657.db2.gz GCGFZASWUCQVSP-QWRGUYRKSA-N 1 2 287.791 0.641 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC12CCC2 ZINC001482630854 894434007 /nfs/dbraw/zinc/43/40/07/894434007.db2.gz BVQPRNLSBJSYKB-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC12CCC2 ZINC001482630854 894434013 /nfs/dbraw/zinc/43/40/13/894434013.db2.gz BVQPRNLSBJSYKB-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482764452 894582182 /nfs/dbraw/zinc/58/21/82/894582182.db2.gz RBRSNCKDSKBQTI-BXUZGUMPSA-N 1 2 296.371 0.547 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](O)C1 ZINC001083535205 895002785 /nfs/dbraw/zinc/00/27/85/895002785.db2.gz GFKDNSLYKMMEQL-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](O)C1 ZINC001083535205 895002802 /nfs/dbraw/zinc/00/28/02/895002802.db2.gz GFKDNSLYKMMEQL-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001409606523 895275939 /nfs/dbraw/zinc/27/59/39/895275939.db2.gz YVTSKALBSJQZCP-WPRPVWTQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001409606523 895275951 /nfs/dbraw/zinc/27/59/51/895275951.db2.gz YVTSKALBSJQZCP-WPRPVWTQSA-N 1 2 275.780 0.687 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001409832287 895727480 /nfs/dbraw/zinc/72/74/80/895727480.db2.gz FZGNYHCPRGEXFJ-QWRGUYRKSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001409832152 895728275 /nfs/dbraw/zinc/72/82/75/895728275.db2.gz FZGNYHCPRGEXFJ-GHMZBOCLSA-N 1 2 292.383 0.109 20 30 CCEDLO CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001483632299 895753461 /nfs/dbraw/zinc/75/34/61/895753461.db2.gz MAKUGOPOOKGDDJ-STQMWFEESA-N 1 2 268.357 0.252 20 30 CCEDLO CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001483632299 895753471 /nfs/dbraw/zinc/75/34/71/895753471.db2.gz MAKUGOPOOKGDDJ-STQMWFEESA-N 1 2 268.357 0.252 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001483655654 895804045 /nfs/dbraw/zinc/80/40/45/895804045.db2.gz RDSHXIDLYDYYOS-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001483655654 895804056 /nfs/dbraw/zinc/80/40/56/895804056.db2.gz RDSHXIDLYDYYOS-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COCc1nnc(C)s1 ZINC001483664925 895819625 /nfs/dbraw/zinc/81/96/25/895819625.db2.gz IDBBYAXNIAXZEW-NSHDSACASA-N 1 2 294.380 0.187 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1nnc(C)s1 ZINC001483664925 895819643 /nfs/dbraw/zinc/81/96/43/895819643.db2.gz IDBBYAXNIAXZEW-NSHDSACASA-N 1 2 294.380 0.187 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncc2cc(C)cnc21 ZINC001483665271 895822127 /nfs/dbraw/zinc/82/21/27/895822127.db2.gz ZRZDXMULVCTXLJ-CQSZACIVSA-N 1 2 297.362 0.563 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncc2cc(C)cnc21 ZINC001483665271 895822147 /nfs/dbraw/zinc/82/21/47/895822147.db2.gz ZRZDXMULVCTXLJ-CQSZACIVSA-N 1 2 297.362 0.563 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC001365332151 895907769 /nfs/dbraw/zinc/90/77/69/895907769.db2.gz KMPYRJQAPDKWCR-NSHDSACASA-N 1 2 294.380 0.324 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC001365332151 895907787 /nfs/dbraw/zinc/90/77/87/895907787.db2.gz KMPYRJQAPDKWCR-NSHDSACASA-N 1 2 294.380 0.324 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001483883258 896092969 /nfs/dbraw/zinc/09/29/69/896092969.db2.gz WNIFKZNROUWBLT-UHFFFAOYSA-N 1 2 278.356 0.677 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001483923574 896118822 /nfs/dbraw/zinc/11/88/22/896118822.db2.gz AWSUANKNCJHHQK-LBPRGKRZSA-N 1 2 294.355 0.661 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001484045865 896168851 /nfs/dbraw/zinc/16/88/51/896168851.db2.gz XWJFRHCMDPACBH-LLVKDONJSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001484045865 896168863 /nfs/dbraw/zinc/16/88/63/896168863.db2.gz XWJFRHCMDPACBH-LLVKDONJSA-N 1 2 284.751 0.006 20 30 CCEDLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001484273353 896300666 /nfs/dbraw/zinc/30/06/66/896300666.db2.gz ZZVCPXOVCWDREF-GFCCVEGCSA-N 1 2 284.375 0.947 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](C[C@@H](CC)OC)C1 ZINC001484288200 896315510 /nfs/dbraw/zinc/31/55/10/896315510.db2.gz NRUSMTMVYMQVIY-GFCCVEGCSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC001326617747 914055280 /nfs/dbraw/zinc/05/52/80/914055280.db2.gz SXEREHNSJVKMQT-CQSZACIVSA-N 1 2 292.383 0.703 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001484294726 896324026 /nfs/dbraw/zinc/32/40/26/896324026.db2.gz ZAVZUAVAERJOCW-UHFFFAOYSA-N 1 2 262.353 0.529 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)OC ZINC001326629794 914064669 /nfs/dbraw/zinc/06/46/69/914064669.db2.gz VVWNGMBQTBSEDT-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)OC ZINC001326629794 914064686 /nfs/dbraw/zinc/06/46/86/914064686.db2.gz VVWNGMBQTBSEDT-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(CCCO)CC2)C1 ZINC001484702062 896546448 /nfs/dbraw/zinc/54/64/48/896546448.db2.gz RTWKAPFYYCNTTA-HNNXBMFYSA-N 1 2 295.427 0.554 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccccc2O)C1 ZINC001485398466 897022409 /nfs/dbraw/zinc/02/24/09/897022409.db2.gz WPYYKGVOTKMYTB-UHFFFAOYSA-N 1 2 288.347 0.582 20 30 CCEDLO C#CCN1CC(CCO)(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001485409747 897025070 /nfs/dbraw/zinc/02/50/70/897025070.db2.gz NJZOBNFRVFKVGV-UHFFFAOYSA-N 1 2 298.346 0.134 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001077718917 897329733 /nfs/dbraw/zinc/32/97/33/897329733.db2.gz JBSGHDOKCLLVJS-ZIAGYGMSSA-N 1 2 286.331 0.030 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001077718917 897329740 /nfs/dbraw/zinc/32/97/40/897329740.db2.gz JBSGHDOKCLLVJS-ZIAGYGMSSA-N 1 2 286.331 0.030 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)n1 ZINC001032390562 897418574 /nfs/dbraw/zinc/41/85/74/897418574.db2.gz QCTBDGAPYLHREZ-QWRGUYRKSA-N 1 2 261.329 0.383 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)n1 ZINC001032390562 897418579 /nfs/dbraw/zinc/41/85/79/897418579.db2.gz QCTBDGAPYLHREZ-QWRGUYRKSA-N 1 2 261.329 0.383 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC(=O)NC)C1 ZINC001107885238 897435006 /nfs/dbraw/zinc/43/50/06/897435006.db2.gz UAUUOQIKPHYOIF-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC(=O)NC)C1 ZINC001107885238 897435015 /nfs/dbraw/zinc/43/50/15/897435015.db2.gz UAUUOQIKPHYOIF-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(C)=O)CC2 ZINC001127910191 897456510 /nfs/dbraw/zinc/45/65/10/897456510.db2.gz LCFOMSQOBBWJSR-GFCCVEGCSA-N 1 2 275.356 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(F)F ZINC001032404837 897464004 /nfs/dbraw/zinc/46/40/04/897464004.db2.gz ZULGDDNCRPXMTN-QWRGUYRKSA-N 1 2 294.305 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(F)F ZINC001032404837 897464014 /nfs/dbraw/zinc/46/40/14/897464014.db2.gz ZULGDDNCRPXMTN-QWRGUYRKSA-N 1 2 294.305 0.680 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCC)CC2 ZINC001127926192 897515944 /nfs/dbraw/zinc/51/59/44/897515944.db2.gz ZRGKDPQAZXWKRD-GFCCVEGCSA-N 1 2 289.383 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001032474914 897620379 /nfs/dbraw/zinc/62/03/79/897620379.db2.gz ANSMZALMGLRWDT-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001032474914 897620385 /nfs/dbraw/zinc/62/03/85/897620385.db2.gz ANSMZALMGLRWDT-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C ZINC001032554463 897736134 /nfs/dbraw/zinc/73/61/34/897736134.db2.gz XDPHOAJNYWPMAI-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C ZINC001032554463 897736138 /nfs/dbraw/zinc/73/61/38/897736138.db2.gz XDPHOAJNYWPMAI-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ncn(C)c2n1 ZINC001032625140 897841527 /nfs/dbraw/zinc/84/15/27/897841527.db2.gz FSOCBWGLECTUHS-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ncn(C)c2n1 ZINC001032625140 897841543 /nfs/dbraw/zinc/84/15/43/897841543.db2.gz FSOCBWGLECTUHS-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cc1OC ZINC001032633441 897853830 /nfs/dbraw/zinc/85/38/30/897853830.db2.gz NOIXIIVFRPCDNJ-QWRGUYRKSA-N 1 2 287.319 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cc1OC ZINC001032633441 897853838 /nfs/dbraw/zinc/85/38/38/897853838.db2.gz NOIXIIVFRPCDNJ-QWRGUYRKSA-N 1 2 287.319 0.328 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc2cncn21 ZINC001032660900 897910705 /nfs/dbraw/zinc/91/07/05/897910705.db2.gz NWHUVYAUJGZJTF-QWRGUYRKSA-N 1 2 286.360 0.928 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc2cncn21 ZINC001032660900 897910716 /nfs/dbraw/zinc/91/07/16/897910716.db2.gz NWHUVYAUJGZJTF-QWRGUYRKSA-N 1 2 286.360 0.928 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001032668486 897920167 /nfs/dbraw/zinc/92/01/67/897920167.db2.gz CWIQYTNHCHWPDX-RYUDHWBXSA-N 1 2 298.346 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001032668486 897920172 /nfs/dbraw/zinc/92/01/72/897920172.db2.gz CWIQYTNHCHWPDX-RYUDHWBXSA-N 1 2 298.346 0.592 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001032695798 897931685 /nfs/dbraw/zinc/93/16/85/897931685.db2.gz GUDKSDKFRRAWRO-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001032695798 897931694 /nfs/dbraw/zinc/93/16/94/897931694.db2.gz GUDKSDKFRRAWRO-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032693532 897937092 /nfs/dbraw/zinc/93/70/92/897937092.db2.gz ITOGQNIKDDQKII-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032693532 897937104 /nfs/dbraw/zinc/93/71/04/897937104.db2.gz ITOGQNIKDDQKII-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccnc1C)C2 ZINC001272828652 898019530 /nfs/dbraw/zinc/01/95/30/898019530.db2.gz UBWQHVBUNSRFPZ-UHFFFAOYSA-N 1 2 287.363 0.989 20 30 CCEDLO C[C@H](C(=O)N1CCSC[C@@H]1C#N)n1cc[nH+]c1 ZINC001116484594 898063259 /nfs/dbraw/zinc/06/32/59/898063259.db2.gz ZPMHROSQXCFYGL-ZJUUUORDSA-N 1 2 250.327 0.912 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CC(OC)OC)C2 ZINC001272862495 898090273 /nfs/dbraw/zinc/09/02/73/898090273.db2.gz WEXSMXNNRXYOKX-UHFFFAOYSA-N 1 2 284.356 0.095 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001032757718 898107369 /nfs/dbraw/zinc/10/73/69/898107369.db2.gz MMPCLCCOSDCKEJ-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001032757718 898107372 /nfs/dbraw/zinc/10/73/72/898107372.db2.gz MMPCLCCOSDCKEJ-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078033831 898193672 /nfs/dbraw/zinc/19/36/72/898193672.db2.gz CABSUGWYWFJVRI-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001078086084 898220760 /nfs/dbraw/zinc/22/07/60/898220760.db2.gz QAUHPODXNDYCTO-GHMZBOCLSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001078086084 898220775 /nfs/dbraw/zinc/22/07/75/898220775.db2.gz QAUHPODXNDYCTO-GHMZBOCLSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001032794806 898311745 /nfs/dbraw/zinc/31/17/45/898311745.db2.gz SEALIVWSSIOZRJ-XBFCOCLRSA-N 1 2 284.363 0.433 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001032794806 898311758 /nfs/dbraw/zinc/31/17/58/898311758.db2.gz SEALIVWSSIOZRJ-XBFCOCLRSA-N 1 2 284.363 0.433 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001078265870 898325386 /nfs/dbraw/zinc/32/53/86/898325386.db2.gz IPJPGTORZKAIFV-RKDXNWHRSA-N 1 2 270.329 0.848 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001078265870 898325397 /nfs/dbraw/zinc/32/53/97/898325397.db2.gz IPJPGTORZKAIFV-RKDXNWHRSA-N 1 2 270.329 0.848 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C(N)=O ZINC001032796801 898343301 /nfs/dbraw/zinc/34/33/01/898343301.db2.gz SEFROOKMKVIPKV-RYUDHWBXSA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C(N)=O ZINC001032796801 898343314 /nfs/dbraw/zinc/34/33/14/898343314.db2.gz SEFROOKMKVIPKV-RYUDHWBXSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(N(C)C)ccn1 ZINC001032812673 898436783 /nfs/dbraw/zinc/43/67/83/898436783.db2.gz PHJZZGFDOHAYMD-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(N(C)C)ccn1 ZINC001032812673 898436793 /nfs/dbraw/zinc/43/67/93/898436793.db2.gz PHJZZGFDOHAYMD-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486821688 898999805 /nfs/dbraw/zinc/99/98/05/898999805.db2.gz RNHCDYATAGWJHJ-GFCCVEGCSA-N 1 2 292.383 0.892 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nocc2C)C1 ZINC001108327818 899773389 /nfs/dbraw/zinc/77/33/89/899773389.db2.gz TUFMHZMAFALCQD-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nocc2C)C1 ZINC001108327818 899773397 /nfs/dbraw/zinc/77/33/97/899773397.db2.gz TUFMHZMAFALCQD-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1ccnc(C#N)c1 ZINC001191559392 900019818 /nfs/dbraw/zinc/01/98/18/900019818.db2.gz JRWZFJNZQVNGCY-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001196775725 900054760 /nfs/dbraw/zinc/05/47/60/900054760.db2.gz WHFPBILLQZOVMT-IHRRRGAJSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001196775725 900054767 /nfs/dbraw/zinc/05/47/67/900054767.db2.gz WHFPBILLQZOVMT-IHRRRGAJSA-N 1 2 291.395 0.315 20 30 CCEDLO C[N@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ncccn1 ZINC001490176059 900558174 /nfs/dbraw/zinc/55/81/74/900558174.db2.gz OQTSQCSEBPSAEH-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ncccn1 ZINC001490176059 900558183 /nfs/dbraw/zinc/55/81/83/900558183.db2.gz OQTSQCSEBPSAEH-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001490443731 900620951 /nfs/dbraw/zinc/62/09/51/900620951.db2.gz YVPXHYHNDHMVOI-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001490443731 900620957 /nfs/dbraw/zinc/62/09/57/900620957.db2.gz YVPXHYHNDHMVOI-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO COCC#CC[NH+]1CCN(CCNC(=O)C(C)(C)C)CC1 ZINC001490513860 900657620 /nfs/dbraw/zinc/65/76/20/900657620.db2.gz PDUROIWMMUJEAS-UHFFFAOYSA-N 1 2 295.427 0.416 20 30 CCEDLO COCC#CCN1CC[NH+](CCNC(=O)C(C)(C)C)CC1 ZINC001490513860 900657634 /nfs/dbraw/zinc/65/76/34/900657634.db2.gz PDUROIWMMUJEAS-UHFFFAOYSA-N 1 2 295.427 0.416 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)OCC)O2 ZINC001327343847 914490535 /nfs/dbraw/zinc/49/05/35/914490535.db2.gz JHILIVLMEFCIKE-CHWSQXEVSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cnc(C#N)c(C#N)n2)[C@@H](C)CO1 ZINC001412903336 902345315 /nfs/dbraw/zinc/34/53/15/902345315.db2.gz XAPLKHMDMLFBPG-WDEREUQCSA-N 1 2 286.339 0.741 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cnc(C#N)c(C#N)n2)[C@@H](C)CO1 ZINC001412903336 902345320 /nfs/dbraw/zinc/34/53/20/902345320.db2.gz XAPLKHMDMLFBPG-WDEREUQCSA-N 1 2 286.339 0.741 20 30 CCEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)OC ZINC001462332181 903098627 /nfs/dbraw/zinc/09/86/27/903098627.db2.gz IFSXEPHNLHFTJW-CMPLNLGQSA-N 1 2 287.381 0.354 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CNC(C)=O ZINC001491197023 903437161 /nfs/dbraw/zinc/43/71/61/903437161.db2.gz UNCVWPBMNKQWJO-LBPRGKRZSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CNC(C)=O ZINC001491197023 903437166 /nfs/dbraw/zinc/43/71/66/903437166.db2.gz UNCVWPBMNKQWJO-LBPRGKRZSA-N 1 2 287.791 0.846 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001316602227 904115893 /nfs/dbraw/zinc/11/58/93/904115893.db2.gz TUTYFZLAXQBKLA-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001316602227 904115898 /nfs/dbraw/zinc/11/58/98/904115898.db2.gz TUTYFZLAXQBKLA-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001316604752 904125445 /nfs/dbraw/zinc/12/54/45/904125445.db2.gz FHRHKCSNJCIBTD-NSHDSACASA-N 1 2 263.345 0.456 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001316604752 904125457 /nfs/dbraw/zinc/12/54/57/904125457.db2.gz FHRHKCSNJCIBTD-NSHDSACASA-N 1 2 263.345 0.456 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001280751983 904147397 /nfs/dbraw/zinc/14/73/97/904147397.db2.gz XHGPCUUOQGAHFL-HAQNSBGRSA-N 1 2 290.367 0.929 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001282444659 904478008 /nfs/dbraw/zinc/47/80/08/904478008.db2.gz VCEXLIHHHGUEAR-ZJUUUORDSA-N 1 2 273.764 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001282444659 904478014 /nfs/dbraw/zinc/47/80/14/904478014.db2.gz VCEXLIHHHGUEAR-ZJUUUORDSA-N 1 2 273.764 0.312 20 30 CCEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](CC)C2)cc1 ZINC001282531171 904504863 /nfs/dbraw/zinc/50/48/63/904504863.db2.gz VKALDXGHSVWZNW-UHFFFAOYSA-N 1 2 272.348 0.854 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COCCOC)C1 ZINC001282699819 904523849 /nfs/dbraw/zinc/52/38/49/904523849.db2.gz AWLPEWXQDXWGQU-NSHDSACASA-N 1 2 290.791 0.838 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001282940137 904619270 /nfs/dbraw/zinc/61/92/70/904619270.db2.gz RCWKIHJQPRXRGW-UHFFFAOYSA-N 1 2 250.302 0.151 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283204328 904754496 /nfs/dbraw/zinc/75/44/96/904754496.db2.gz SNODTFUCTFOUQT-QWHCGFSZSA-N 1 2 289.383 0.844 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 ZINC001377553533 904990900 /nfs/dbraw/zinc/99/09/00/904990900.db2.gz VHCFDJAZWRDVNC-JTQLQIEISA-N 1 2 285.775 0.842 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001284230719 905211187 /nfs/dbraw/zinc/21/11/87/905211187.db2.gz JUXDSRBSAKQICQ-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001285583654 905677043 /nfs/dbraw/zinc/67/70/43/905677043.db2.gz BXSMLFRYJJQZHG-AATRIKPKSA-N 1 2 290.367 0.884 20 30 CCEDLO C=C(CO)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001292059706 906190178 /nfs/dbraw/zinc/19/01/78/906190178.db2.gz PSTBLYKXQZYLRN-LLVKDONJSA-N 1 2 251.330 0.963 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2[nH]ncc2F)CC1 ZINC001292880678 906363559 /nfs/dbraw/zinc/36/35/59/906363559.db2.gz LQZDEOSDAQLYRR-UHFFFAOYSA-N 1 2 251.265 0.267 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001293640478 906501958 /nfs/dbraw/zinc/50/19/58/906501958.db2.gz JPTWAKFPTDALJQ-CYBMUJFWSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CCCCC(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001298063324 907150444 /nfs/dbraw/zinc/15/04/44/907150444.db2.gz KXULAXXYJJKMNR-UHFFFAOYSA-N 1 2 290.367 0.673 20 30 CCEDLO COc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)on1 ZINC001381506120 907260232 /nfs/dbraw/zinc/26/02/32/907260232.db2.gz DEJWHTCPZCIDGL-NXEZZACHSA-N 1 2 280.328 0.779 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)on1 ZINC001381506120 907260245 /nfs/dbraw/zinc/26/02/45/907260245.db2.gz DEJWHTCPZCIDGL-NXEZZACHSA-N 1 2 280.328 0.779 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC001381856691 907429144 /nfs/dbraw/zinc/42/91/44/907429144.db2.gz OTCDMHCQVPJOAP-YPMHNXCESA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC001381856691 907429156 /nfs/dbraw/zinc/42/91/56/907429156.db2.gz OTCDMHCQVPJOAP-YPMHNXCESA-N 1 2 289.383 0.906 20 30 CCEDLO CC[N@@H+]1CC[C@H]1C(=O)NCc1nc(C#N)cs1 ZINC001304187645 908155994 /nfs/dbraw/zinc/15/59/94/908155994.db2.gz SUIDCWRUCPKLBP-VIFPVBQESA-N 1 2 250.327 0.725 20 30 CCEDLO CC[N@H+]1CC[C@H]1C(=O)NCc1nc(C#N)cs1 ZINC001304187645 908155998 /nfs/dbraw/zinc/15/59/98/908155998.db2.gz SUIDCWRUCPKLBP-VIFPVBQESA-N 1 2 250.327 0.725 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001386564676 908782258 /nfs/dbraw/zinc/78/22/58/908782258.db2.gz OJVVYVGFEXLPHF-NWDGAFQWSA-N 1 2 289.339 0.007 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001317446656 909216071 /nfs/dbraw/zinc/21/60/71/909216071.db2.gz JOJVNTWGLGPZMT-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001317446656 909216091 /nfs/dbraw/zinc/21/60/91/909216091.db2.gz JOJVNTWGLGPZMT-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001317456236 909230790 /nfs/dbraw/zinc/23/07/90/909230790.db2.gz GOBCOCUPZMAOPB-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001317456236 909230801 /nfs/dbraw/zinc/23/08/01/909230801.db2.gz GOBCOCUPZMAOPB-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493530 909260492 /nfs/dbraw/zinc/26/04/92/909260492.db2.gz AWTZSQGOHNGSLU-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493530 909260505 /nfs/dbraw/zinc/26/05/05/909260505.db2.gz AWTZSQGOHNGSLU-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCOCCC(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001317587087 909386918 /nfs/dbraw/zinc/38/69/18/909386918.db2.gz UNXUNDULRSTDSJ-UHFFFAOYSA-N 1 2 282.369 0.126 20 30 CCEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001317758211 909485836 /nfs/dbraw/zinc/48/58/36/909485836.db2.gz FXABDAATGSVBKJ-ZDUSSCGKSA-N 1 2 293.411 0.834 20 30 CCEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001317758211 909485842 /nfs/dbraw/zinc/48/58/42/909485842.db2.gz FXABDAATGSVBKJ-ZDUSSCGKSA-N 1 2 293.411 0.834 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001317933798 909543948 /nfs/dbraw/zinc/54/39/48/909543948.db2.gz IEARTUIWWIIUGS-CYBMUJFWSA-N 1 2 290.367 0.511 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001317933798 909543961 /nfs/dbraw/zinc/54/39/61/909543961.db2.gz IEARTUIWWIIUGS-CYBMUJFWSA-N 1 2 290.367 0.511 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001317940048 909545196 /nfs/dbraw/zinc/54/51/96/909545196.db2.gz BINNQLFFYXEMEB-JHJVBQTASA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001317940048 909545214 /nfs/dbraw/zinc/54/52/14/909545214.db2.gz BINNQLFFYXEMEB-JHJVBQTASA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001317963038 909555712 /nfs/dbraw/zinc/55/57/12/909555712.db2.gz XZBKONMLYCMTPA-ZDUSSCGKSA-N 1 2 279.384 0.812 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001317963038 909555722 /nfs/dbraw/zinc/55/57/22/909555722.db2.gz XZBKONMLYCMTPA-ZDUSSCGKSA-N 1 2 279.384 0.812 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCn2ccccc2=O)C1 ZINC001318029278 909593045 /nfs/dbraw/zinc/59/30/45/909593045.db2.gz RJXOSYSFQDWXFI-UHFFFAOYSA-N 1 2 273.336 0.062 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001318070744 909605999 /nfs/dbraw/zinc/60/59/99/909605999.db2.gz GDOXXGHCRKGIKF-CHWSQXEVSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001318312541 909701911 /nfs/dbraw/zinc/70/19/11/909701911.db2.gz ZSAKLFJNNSZWRL-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001318312541 909701916 /nfs/dbraw/zinc/70/19/16/909701916.db2.gz ZSAKLFJNNSZWRL-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO CC1CC(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001318396515 909739042 /nfs/dbraw/zinc/73/90/42/909739042.db2.gz XWYVFDLIFMPERU-BPCQOVAHSA-N 1 2 292.383 0.205 20 30 CCEDLO CC1CC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001318396515 909739053 /nfs/dbraw/zinc/73/90/53/909739053.db2.gz XWYVFDLIFMPERU-BPCQOVAHSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001389262477 909778858 /nfs/dbraw/zinc/77/88/58/909778858.db2.gz BDJBWJQJIGYUNS-GHMZBOCLSA-N 1 2 299.334 0.728 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N2CCc3[nH]nnc3C2)CC1 ZINC001318917666 909920894 /nfs/dbraw/zinc/92/08/94/909920894.db2.gz DWGRASSECRTVEQ-UHFFFAOYSA-N 1 2 273.340 0.035 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001319296618 910083440 /nfs/dbraw/zinc/08/34/40/910083440.db2.gz XKWIEQWCLNAWLZ-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001319296618 910083455 /nfs/dbraw/zinc/08/34/55/910083455.db2.gz XKWIEQWCLNAWLZ-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001319312055 910091068 /nfs/dbraw/zinc/09/10/68/910091068.db2.gz YKRRHQCTNVTGBR-AWEZNQCLSA-N 1 2 262.353 0.793 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001319312055 910091077 /nfs/dbraw/zinc/09/10/77/910091077.db2.gz YKRRHQCTNVTGBR-AWEZNQCLSA-N 1 2 262.353 0.793 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319320677 910096258 /nfs/dbraw/zinc/09/62/58/910096258.db2.gz XYYMYGRBRHAREQ-STQMWFEESA-N 1 2 270.373 0.398 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319320677 910096276 /nfs/dbraw/zinc/09/62/76/910096276.db2.gz XYYMYGRBRHAREQ-STQMWFEESA-N 1 2 270.373 0.398 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001319331624 910100251 /nfs/dbraw/zinc/10/02/51/910100251.db2.gz ZTYBKBWZNVINFP-UONOGXRCSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001319331624 910100263 /nfs/dbraw/zinc/10/02/63/910100263.db2.gz ZTYBKBWZNVINFP-UONOGXRCSA-N 1 2 292.383 0.837 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001319381895 910124816 /nfs/dbraw/zinc/12/48/16/910124816.db2.gz VTIUJLXGHIPZHK-CMPLNLGQSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001320090152 910458787 /nfs/dbraw/zinc/45/87/87/910458787.db2.gz ITGSXAUJVAMJAX-NSHDSACASA-N 1 2 276.402 0.243 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001320090152 910458800 /nfs/dbraw/zinc/45/88/00/910458800.db2.gz ITGSXAUJVAMJAX-NSHDSACASA-N 1 2 276.402 0.243 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC001320761121 910849732 /nfs/dbraw/zinc/84/97/32/910849732.db2.gz BCEUNXBTBPEMOJ-UTUOFQBUSA-N 1 2 281.356 0.592 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C)CC1 ZINC001338975250 921617237 /nfs/dbraw/zinc/61/72/37/921617237.db2.gz OHGUQEREMDAMQV-UHFFFAOYSA-N 1 2 283.339 0.027 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H]1C ZINC001417841064 921634594 /nfs/dbraw/zinc/63/45/94/921634594.db2.gz ZDCCDFHJFBUUEI-ZJUUUORDSA-N 1 2 289.763 0.674 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H]1C ZINC001417841064 921634596 /nfs/dbraw/zinc/63/45/96/921634596.db2.gz ZDCCDFHJFBUUEI-ZJUUUORDSA-N 1 2 289.763 0.674 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](COC)OC)C1 ZINC001391505391 911184609 /nfs/dbraw/zinc/18/46/09/911184609.db2.gz YZYPOWMHRXSNFP-LLVKDONJSA-N 1 2 276.764 0.448 20 30 CCEDLO N#CCCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001322342195 911769711 /nfs/dbraw/zinc/76/97/11/911769711.db2.gz APQIDJXUAYUBES-UHFFFAOYSA-N 1 2 277.328 0.199 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392706849 912104738 /nfs/dbraw/zinc/10/47/38/912104738.db2.gz BKIUVRDQUMIZHH-VIFPVBQESA-N 1 2 271.752 0.536 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392706849 912104743 /nfs/dbraw/zinc/10/47/43/912104743.db2.gz BKIUVRDQUMIZHH-VIFPVBQESA-N 1 2 271.752 0.536 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323228738 912200160 /nfs/dbraw/zinc/20/01/60/912200160.db2.gz YVWSCVLAXWOZCX-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323228738 912200169 /nfs/dbraw/zinc/20/01/69/912200169.db2.gz YVWSCVLAXWOZCX-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323228740 912202070 /nfs/dbraw/zinc/20/20/70/912202070.db2.gz YVWSCVLAXWOZCX-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323228740 912202084 /nfs/dbraw/zinc/20/20/84/912202084.db2.gz YVWSCVLAXWOZCX-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001399417824 915162145 /nfs/dbraw/zinc/16/21/45/915162145.db2.gz ITVJUADTVRMBRR-ZJUUUORDSA-N 1 2 291.355 0.289 20 30 CCEDLO C=CC[NH+]1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001339575440 921765835 /nfs/dbraw/zinc/76/58/35/921765835.db2.gz RRTNDTOTNGUQLP-UHFFFAOYSA-N 1 2 289.339 0.008 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001399903568 915426370 /nfs/dbraw/zinc/42/63/70/915426370.db2.gz QJRXAQIWFBVRBH-KOLCDFICSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001399903568 915426377 /nfs/dbraw/zinc/42/63/77/915426377.db2.gz QJRXAQIWFBVRBH-KOLCDFICSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001329040822 915615590 /nfs/dbraw/zinc/61/55/90/915615590.db2.gz YKNMXMWNIDKFJN-NXEZZACHSA-N 1 2 276.340 0.774 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cocn3)n2CC)CC1 ZINC001339666295 921790153 /nfs/dbraw/zinc/79/01/53/921790153.db2.gz YEBVBCDPGRKVKO-UHFFFAOYSA-N 1 2 286.339 0.708 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001400479754 915768761 /nfs/dbraw/zinc/76/87/61/915768761.db2.gz ITIRNIRVDWHJKP-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)C(C)(F)F)C1 ZINC001329636955 916087090 /nfs/dbraw/zinc/08/70/90/916087090.db2.gz CREKKTWYJVNVEH-UHFFFAOYSA-N 1 2 262.300 0.771 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1cnn[nH]1 ZINC001401244409 916142789 /nfs/dbraw/zinc/14/27/89/916142789.db2.gz RPWTXRZRKGBFEK-SNVBAGLBSA-N 1 2 285.779 0.926 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001329925501 916285169 /nfs/dbraw/zinc/28/51/69/916285169.db2.gz SKSMXYVQRPFHGE-MFKMUULPSA-N 1 2 262.313 0.465 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001329925501 916285182 /nfs/dbraw/zinc/28/51/82/916285182.db2.gz SKSMXYVQRPFHGE-MFKMUULPSA-N 1 2 262.313 0.465 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001329925500 916285622 /nfs/dbraw/zinc/28/56/22/916285622.db2.gz SKSMXYVQRPFHGE-GXFFZTMASA-N 1 2 262.313 0.465 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001329925500 916285641 /nfs/dbraw/zinc/28/56/41/916285641.db2.gz SKSMXYVQRPFHGE-GXFFZTMASA-N 1 2 262.313 0.465 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)[C@]2(C#N)CCCOC2)c1 ZINC001329961071 916313926 /nfs/dbraw/zinc/31/39/26/916313926.db2.gz VCXAZWDFRROXEU-ZDUSSCGKSA-N 1 2 262.313 0.399 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001401735710 916532557 /nfs/dbraw/zinc/53/25/57/916532557.db2.gz PCHPFNOEOMBQOD-MNOVXSKESA-N 1 2 292.387 0.703 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001401735710 916532571 /nfs/dbraw/zinc/53/25/71/916532571.db2.gz PCHPFNOEOMBQOD-MNOVXSKESA-N 1 2 292.387 0.703 20 30 CCEDLO C=CC[C@@H](OC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)OC ZINC001331093793 917080990 /nfs/dbraw/zinc/08/09/90/917080990.db2.gz KLSXDIAQZBLJHE-GHMZBOCLSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@@H](OC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)OC ZINC001331093793 917081001 /nfs/dbraw/zinc/08/10/01/917081001.db2.gz KLSXDIAQZBLJHE-GHMZBOCLSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)C1 ZINC001332125603 917883764 /nfs/dbraw/zinc/88/37/64/917883764.db2.gz JZRXAOKRDFFFEW-DCAQKATOSA-N 1 2 254.330 0.738 20 30 CCEDLO N#C[C@@H]1CCCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001332567149 918283220 /nfs/dbraw/zinc/28/32/20/918283220.db2.gz FVZDLTKVHXUEMP-LBPRGKRZSA-N 1 2 289.339 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001404425060 918338980 /nfs/dbraw/zinc/33/89/80/918338980.db2.gz DZHIAPIQIUWFEJ-GHMZBOCLSA-N 1 2 291.355 0.085 20 30 CCEDLO N#CCCCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001332708503 918395203 /nfs/dbraw/zinc/39/52/03/918395203.db2.gz VZZPYCGXRCKKFZ-LBPRGKRZSA-N 1 2 261.329 0.967 20 30 CCEDLO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ncn(C)n1 ZINC001334651027 919691216 /nfs/dbraw/zinc/69/12/16/919691216.db2.gz UKIVIDLEOXHGKL-ZJUUUORDSA-N 1 2 251.334 0.766 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001334733846 919735364 /nfs/dbraw/zinc/73/53/64/919735364.db2.gz SXLMPBKPVCRYIT-LBPRGKRZSA-N 1 2 273.336 0.432 20 30 CCEDLO N#Cc1cc(C(=O)NCC2(O)C[NH+](CCCF)C2)c[nH]1 ZINC001407402110 919742354 /nfs/dbraw/zinc/74/23/54/919742354.db2.gz LOZDULWCWPABTA-UHFFFAOYSA-N 1 2 280.303 0.022 20 30 CCEDLO COC1(OC)CCOC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC001336200398 920657439 /nfs/dbraw/zinc/65/74/39/920657439.db2.gz PPEUFGUMAWLJGP-VXGBXAGGSA-N 1 2 267.329 0.798 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001336321712 920718709 /nfs/dbraw/zinc/71/87/09/920718709.db2.gz YLNIZGCHCFHORW-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1=CC[N@H+](C)CC1 ZINC001336571476 920845983 /nfs/dbraw/zinc/84/59/83/920845983.db2.gz YYZAVYSSCRQGMT-VIFPVBQESA-N 1 2 289.339 0.008 20 30 CCEDLO C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1=CC[N@@H+](C)CC1 ZINC001336571476 920846001 /nfs/dbraw/zinc/84/60/01/920846001.db2.gz YYZAVYSSCRQGMT-VIFPVBQESA-N 1 2 289.339 0.008 20 30 CCEDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C#CC(C)(C)C ZINC001336722423 920954732 /nfs/dbraw/zinc/95/47/32/920954732.db2.gz SVUSCBFAOHYERL-LLVKDONJSA-N 1 2 266.341 0.399 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)C(F)(F)F ZINC001336810407 921026493 /nfs/dbraw/zinc/02/64/93/921026493.db2.gz HJAFXPWKBBGGPE-QMMMGPOBSA-N 1 2 283.275 0.954 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)on1 ZINC001418596454 922294069 /nfs/dbraw/zinc/29/40/69/922294069.db2.gz SFRYJKSHQNMKHD-WDEREUQCSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)on1 ZINC001418596454 922294080 /nfs/dbraw/zinc/29/40/80/922294080.db2.gz SFRYJKSHQNMKHD-WDEREUQCSA-N 1 2 292.339 0.923 20 30 CCEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2C)CC1 ZINC001341247041 922399582 /nfs/dbraw/zinc/39/95/82/922399582.db2.gz FAKBNRULSZUJNB-UHFFFAOYSA-N 1 2 284.367 0.989 20 30 CCEDLO C[C@H](C(=O)N1CCc2cc[nH+]c(N)c2C1)n1cnc(C#N)n1 ZINC001418843805 922451179 /nfs/dbraw/zinc/45/11/79/922451179.db2.gz USJPAIPSZLGWCC-SECBINFHSA-N 1 2 297.322 0.273 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001419534329 922901275 /nfs/dbraw/zinc/90/12/75/922901275.db2.gz DSPSBYBGQIPVJE-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001419534329 922901288 /nfs/dbraw/zinc/90/12/88/922901288.db2.gz DSPSBYBGQIPVJE-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001420024174 923245432 /nfs/dbraw/zinc/24/54/32/923245432.db2.gz LICPHGWOMXHYLK-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001420024174 923245444 /nfs/dbraw/zinc/24/54/44/923245444.db2.gz LICPHGWOMXHYLK-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CNC(=O)C1CC1 ZINC001420042700 923258504 /nfs/dbraw/zinc/25/85/04/923258504.db2.gz YEBNKVXGQBIVEV-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CNC(=O)C1CC1 ZINC001420042700 923258517 /nfs/dbraw/zinc/25/85/17/923258517.db2.gz YEBNKVXGQBIVEV-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2(C#N)CC2)C1 ZINC001343917277 923503019 /nfs/dbraw/zinc/50/30/19/923503019.db2.gz STPWEUOIVVKLQZ-LLVKDONJSA-N 1 2 250.346 0.042 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(C#N)CC2)C1 ZINC001343917277 923503031 /nfs/dbraw/zinc/50/30/31/923503031.db2.gz STPWEUOIVVKLQZ-LLVKDONJSA-N 1 2 250.346 0.042 20 30 CCEDLO C#CCCCC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001479766499 923573209 /nfs/dbraw/zinc/57/32/09/923573209.db2.gz AULGZTFQIYPSQI-UHFFFAOYSA-N 1 2 277.372 0.557 20 30 CCEDLO C#CCCCC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001479766499 923573219 /nfs/dbraw/zinc/57/32/19/923573219.db2.gz AULGZTFQIYPSQI-UHFFFAOYSA-N 1 2 277.372 0.557 20 30 CCEDLO CCCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001420402511 923628482 /nfs/dbraw/zinc/62/84/82/923628482.db2.gz FBWCWEHRPSSHGW-UWVGGRQHSA-N 1 2 279.344 0.776 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001420564532 923786486 /nfs/dbraw/zinc/78/64/86/923786486.db2.gz DDCHBPVRQUTWJT-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001420564532 923786505 /nfs/dbraw/zinc/78/65/05/923786505.db2.gz DDCHBPVRQUTWJT-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001420715787 923893745 /nfs/dbraw/zinc/89/37/45/923893745.db2.gz GZHRFTVTCWIEND-GZMMTYOYSA-N 1 2 277.328 0.522 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421196758 924206446 /nfs/dbraw/zinc/20/64/46/924206446.db2.gz OPFVRQYUYVSYIH-LLVKDONJSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421196758 924206461 /nfs/dbraw/zinc/20/64/61/924206461.db2.gz OPFVRQYUYVSYIH-LLVKDONJSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(CC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001346984516 924344976 /nfs/dbraw/zinc/34/49/76/924344976.db2.gz CJCOLTXYAAYUDK-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001347745903 924524838 /nfs/dbraw/zinc/52/48/38/924524838.db2.gz JTJURTIQNFHADM-UHFFFAOYSA-N 1 2 259.313 0.025 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001348360755 924666236 /nfs/dbraw/zinc/66/62/36/924666236.db2.gz PHNBSUQSQAAQHZ-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001348360755 924666246 /nfs/dbraw/zinc/66/62/46/924666246.db2.gz PHNBSUQSQAAQHZ-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001479949586 924905005 /nfs/dbraw/zinc/90/50/05/924905005.db2.gz VPFLOMVQIJJZIE-CXTNEJHOSA-N 1 2 291.395 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001479949586 924905012 /nfs/dbraw/zinc/90/50/12/924905012.db2.gz VPFLOMVQIJJZIE-CXTNEJHOSA-N 1 2 291.395 0.525 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001352677579 925618404 /nfs/dbraw/zinc/61/84/04/925618404.db2.gz MKEWBYWLXKFZOI-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001352677579 925618407 /nfs/dbraw/zinc/61/84/07/925618407.db2.gz MKEWBYWLXKFZOI-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001354281370 926067866 /nfs/dbraw/zinc/06/78/66/926067866.db2.gz DAEQSBRRXAUFLP-JTQLQIEISA-N 1 2 278.356 0.848 20 30 CCEDLO CC#CCCCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001355831105 926317157 /nfs/dbraw/zinc/31/71/57/926317157.db2.gz ICVCFBVCAUIFQB-UHFFFAOYSA-N 1 2 290.367 0.720 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001421311059 926669167 /nfs/dbraw/zinc/66/91/67/926669167.db2.gz SNUUYDZRNSIEDZ-SNVBAGLBSA-N 1 2 289.763 0.628 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001421311059 926669175 /nfs/dbraw/zinc/66/91/75/926669175.db2.gz SNUUYDZRNSIEDZ-SNVBAGLBSA-N 1 2 289.763 0.628 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]nnc1C ZINC001422544904 927359634 /nfs/dbraw/zinc/35/96/34/927359634.db2.gz DBTXSNZYXRIHSL-QMMMGPOBSA-N 1 2 271.752 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]nnc1C ZINC001422544904 927359648 /nfs/dbraw/zinc/35/96/48/927359648.db2.gz DBTXSNZYXRIHSL-QMMMGPOBSA-N 1 2 271.752 0.916 20 30 CCEDLO CN(C)[C@H](C(=O)Nc1cnn(CC#N)c1)c1c[nH+]cn1C ZINC001362085666 927598725 /nfs/dbraw/zinc/59/87/25/927598725.db2.gz PXPAVRSEJSCCGO-LBPRGKRZSA-N 1 2 287.327 0.382 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001362594316 928225258 /nfs/dbraw/zinc/22/52/58/928225258.db2.gz ABTMVLGYYRYINC-FZMZJTMJSA-N 1 2 274.324 0.323 20 30 CCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001362601589 928232427 /nfs/dbraw/zinc/23/24/27/928232427.db2.gz NNUKBUKWPJHQTE-UHFFFAOYSA-N 1 2 287.327 0.220 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1ccc(C#N)nc1 ZINC001363487592 929294387 /nfs/dbraw/zinc/29/43/87/929294387.db2.gz CWRVAQFTFOKRRZ-GFCCVEGCSA-N 1 2 285.307 0.079 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363798210 929587887 /nfs/dbraw/zinc/58/78/87/929587887.db2.gz LKSXDJAHEMEUPN-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363798210 929587889 /nfs/dbraw/zinc/58/78/89/929587889.db2.gz LKSXDJAHEMEUPN-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCC(=O)NC ZINC001371954289 929686267 /nfs/dbraw/zinc/68/62/67/929686267.db2.gz VPFNIXCOWZNYHB-UHFFFAOYSA-N 1 2 275.780 0.703 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCC(=O)NC ZINC001371954289 929686273 /nfs/dbraw/zinc/68/62/73/929686273.db2.gz VPFNIXCOWZNYHB-UHFFFAOYSA-N 1 2 275.780 0.703 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001443989357 929761691 /nfs/dbraw/zinc/76/16/91/929761691.db2.gz FZSZMWBDTKSTOV-MNOVXSKESA-N 1 2 277.328 0.006 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001372262007 929789600 /nfs/dbraw/zinc/78/96/00/929789600.db2.gz YNRYLYSQHHXUOM-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001372262007 929789609 /nfs/dbraw/zinc/78/96/09/929789609.db2.gz YNRYLYSQHHXUOM-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001372301520 929801107 /nfs/dbraw/zinc/80/11/07/929801107.db2.gz MIJGXMVCIBMMHH-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001373531937 930226580 /nfs/dbraw/zinc/22/65/80/930226580.db2.gz NFACQUHUSAQKMU-GFCCVEGCSA-N 1 2 276.739 0.916 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001446833239 930496181 /nfs/dbraw/zinc/49/61/81/930496181.db2.gz STEXGKUWXVXXEK-NWDGAFQWSA-N 1 2 295.383 0.124 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001448023642 930791244 /nfs/dbraw/zinc/79/12/44/930791244.db2.gz NMIUATOUHYFSEW-UTUOFQBUSA-N 1 2 261.325 0.905 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CC)[C@H]1C ZINC001375644454 930940373 /nfs/dbraw/zinc/94/03/73/930940373.db2.gz HDXDXYVOEMBJPN-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CC)[C@H]1C ZINC001375644454 930940381 /nfs/dbraw/zinc/94/03/81/930940381.db2.gz HDXDXYVOEMBJPN-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001376574768 931185498 /nfs/dbraw/zinc/18/54/98/931185498.db2.gz NBWPWKWLTCCHHQ-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001376574768 931185503 /nfs/dbraw/zinc/18/55/03/931185503.db2.gz NBWPWKWLTCCHHQ-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO Cc1nccnc1C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001377144425 931405642 /nfs/dbraw/zinc/40/56/42/931405642.db2.gz PPYATVPTSYFSGV-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO Cc1nccnc1C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001377144425 931405647 /nfs/dbraw/zinc/40/56/47/931405647.db2.gz PPYATVPTSYFSGV-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079497 349450067 /nfs/dbraw/zinc/45/00/67/349450067.db2.gz XGTUGPQECVDRBY-UHFFFAOYSA-N 1 2 261.329 0.530 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000091079497 349450071 /nfs/dbraw/zinc/45/00/71/349450071.db2.gz XGTUGPQECVDRBY-UHFFFAOYSA-N 1 2 261.329 0.530 20 30 CCEDLO CC[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093049991 349522337 /nfs/dbraw/zinc/52/23/37/349522337.db2.gz GMROSUXZLIMXBR-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000450487547 529394069 /nfs/dbraw/zinc/39/40/69/529394069.db2.gz VIWKPWDTWPJUMI-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000450487547 529394070 /nfs/dbraw/zinc/39/40/70/529394070.db2.gz VIWKPWDTWPJUMI-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107577781 349738991 /nfs/dbraw/zinc/73/89/91/349738991.db2.gz SSCZJETXPVVISR-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107577781 349738993 /nfs/dbraw/zinc/73/89/93/349738993.db2.gz SSCZJETXPVVISR-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)NC1=O)C2 ZINC000600887127 362088937 /nfs/dbraw/zinc/08/89/37/362088937.db2.gz PUAOXIQHZXTOKI-CYBMUJFWSA-N 1 2 269.304 0.526 20 30 CCEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CC(=O)NC1=O)C2 ZINC000600887127 362088939 /nfs/dbraw/zinc/08/89/39/362088939.db2.gz PUAOXIQHZXTOKI-CYBMUJFWSA-N 1 2 269.304 0.526 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000295045304 199318475 /nfs/dbraw/zinc/31/84/75/199318475.db2.gz SIEOASPSAZBTTR-NWDGAFQWSA-N 1 2 295.408 0.660 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(CC2(C#N)CC2)CCO1 ZINC000331371712 529824735 /nfs/dbraw/zinc/82/47/35/529824735.db2.gz GNSZADPVHHNDBP-NSHDSACASA-N 1 2 266.345 0.458 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(CC2(C#N)CC2)CCO1 ZINC000331371712 529824737 /nfs/dbraw/zinc/82/47/37/529824737.db2.gz GNSZADPVHHNDBP-NSHDSACASA-N 1 2 266.345 0.458 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000116890005 349876473 /nfs/dbraw/zinc/87/64/73/349876473.db2.gz XNWYQUZJUULTGA-ZDUSSCGKSA-N 1 2 279.365 0.682 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000116890005 349876475 /nfs/dbraw/zinc/87/64/75/349876475.db2.gz XNWYQUZJUULTGA-ZDUSSCGKSA-N 1 2 279.365 0.682 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)CCC1 ZINC000601978204 362447854 /nfs/dbraw/zinc/44/78/54/362447854.db2.gz VSUPPGWSQLRFGX-SNVBAGLBSA-N 1 2 287.310 0.905 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)CCC1 ZINC000601978204 362447858 /nfs/dbraw/zinc/44/78/58/362447858.db2.gz VSUPPGWSQLRFGX-SNVBAGLBSA-N 1 2 287.310 0.905 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)OC ZINC000602140021 362519304 /nfs/dbraw/zinc/51/93/04/362519304.db2.gz BOYYFLSCIZCLSL-FOGDFJRCSA-N 1 2 293.323 0.374 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)OC ZINC000602140021 362519310 /nfs/dbraw/zinc/51/93/10/362519310.db2.gz BOYYFLSCIZCLSL-FOGDFJRCSA-N 1 2 293.323 0.374 20 30 CCEDLO Cn1cc(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000602333730 362590232 /nfs/dbraw/zinc/59/02/32/362590232.db2.gz OVAYRUBITWSBTB-NSHDSACASA-N 1 2 269.736 0.647 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)[C@H](C)O1 ZINC000602336768 362590322 /nfs/dbraw/zinc/59/03/22/362590322.db2.gz ZYBJLNSXZHQZQI-BLFANLJRSA-N 1 2 253.346 0.760 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)CC3)n2c1 ZINC000119399432 349934030 /nfs/dbraw/zinc/93/40/30/349934030.db2.gz YKDCOCXEDDWPFS-UHFFFAOYSA-N 1 2 274.349 0.770 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)no2)C1=O ZINC000602647122 362730008 /nfs/dbraw/zinc/73/00/08/362730008.db2.gz GOOBWSXJDDGBJR-LBPRGKRZSA-N 1 2 293.323 0.680 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)no2)C1=O ZINC000602647122 362730012 /nfs/dbraw/zinc/73/00/12/362730012.db2.gz GOOBWSXJDDGBJR-LBPRGKRZSA-N 1 2 293.323 0.680 20 30 CCEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000339228361 215028166 /nfs/dbraw/zinc/02/81/66/215028166.db2.gz MVKZHGSEYMEDQP-AWEZNQCLSA-N 1 2 297.318 0.967 20 30 CCEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC000339228361 215028168 /nfs/dbraw/zinc/02/81/68/215028168.db2.gz MVKZHGSEYMEDQP-AWEZNQCLSA-N 1 2 297.318 0.967 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000617953653 365855864 /nfs/dbraw/zinc/85/58/64/365855864.db2.gz CBCYVEIECDSXDV-CYBMUJFWSA-N 1 2 296.346 0.498 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(c3nccnn3)CC2)n1 ZINC000602720703 362770635 /nfs/dbraw/zinc/77/06/35/362770635.db2.gz LWYCLCFNOZRCNF-UHFFFAOYSA-N 1 2 281.323 0.460 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000602796061 362805079 /nfs/dbraw/zinc/80/50/79/362805079.db2.gz QIFHFXUJVDIFKP-CQSZACIVSA-N 1 2 263.389 0.955 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602802130 362809437 /nfs/dbraw/zinc/80/94/37/362809437.db2.gz XGVYPDORZUXJBP-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602816285 362817425 /nfs/dbraw/zinc/81/74/25/362817425.db2.gz UMTUNTPKZVHWKC-WDEREUQCSA-N 1 2 252.314 0.679 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602816285 362817426 /nfs/dbraw/zinc/81/74/26/362817426.db2.gz UMTUNTPKZVHWKC-WDEREUQCSA-N 1 2 252.314 0.679 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602831387 362825119 /nfs/dbraw/zinc/82/51/19/362825119.db2.gz XFQBXFJPDRSFTC-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602831387 362825128 /nfs/dbraw/zinc/82/51/28/362825128.db2.gz XFQBXFJPDRSFTC-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602851012 362838206 /nfs/dbraw/zinc/83/82/06/362838206.db2.gz JUPWZNCACBTTRD-AWEZNQCLSA-N 1 2 291.355 0.582 20 30 CCEDLO CCCn1nccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000602851012 362838209 /nfs/dbraw/zinc/83/82/09/362838209.db2.gz JUPWZNCACBTTRD-AWEZNQCLSA-N 1 2 291.355 0.582 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602862246 362846593 /nfs/dbraw/zinc/84/65/93/362846593.db2.gz JJIXBLFEGBYUHB-JTQLQIEISA-N 1 2 267.329 0.290 20 30 CCEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)CC#N ZINC000602861635 362846676 /nfs/dbraw/zinc/84/66/76/362846676.db2.gz GTTQZORUTKRHMC-RYUDHWBXSA-N 1 2 281.356 0.822 20 30 CCEDLO CCOCCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861862 362846979 /nfs/dbraw/zinc/84/69/79/362846979.db2.gz MGDYDFCDJRXXDA-STQMWFEESA-N 1 2 282.388 0.057 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602863756 362848279 /nfs/dbraw/zinc/84/82/79/362848279.db2.gz GHJNXSXURPWSBR-LBPRGKRZSA-N 1 2 292.387 0.223 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602863756 362848287 /nfs/dbraw/zinc/84/82/87/362848287.db2.gz GHJNXSXURPWSBR-LBPRGKRZSA-N 1 2 292.387 0.223 20 30 CCEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000602864787 362849343 /nfs/dbraw/zinc/84/93/43/362849343.db2.gz JOKHUCBUXBHGRM-RYUDHWBXSA-N 1 2 260.345 0.615 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000007926364 348009419 /nfs/dbraw/zinc/00/94/19/348009419.db2.gz UDWPVNUVEPWGPP-ABAIWWIYSA-N 1 2 294.399 0.640 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000007926364 348009420 /nfs/dbraw/zinc/00/94/20/348009420.db2.gz UDWPVNUVEPWGPP-ABAIWWIYSA-N 1 2 294.399 0.640 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000029668676 348113975 /nfs/dbraw/zinc/11/39/75/348113975.db2.gz JGCFQEKNLSJSGV-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO Cc1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc1C#N ZINC000344952920 137223333 /nfs/dbraw/zinc/22/33/33/137223333.db2.gz SXHFKNPZYVEJHW-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC000602867966 362851412 /nfs/dbraw/zinc/85/14/12/362851412.db2.gz GENGYMCGUATLLV-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602869932 362852342 /nfs/dbraw/zinc/85/23/42/362852342.db2.gz QRUMGZGYVSLNPG-QWRGUYRKSA-N 1 2 281.356 0.678 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602869933 362852874 /nfs/dbraw/zinc/85/28/74/362852874.db2.gz QRUMGZGYVSLNPG-WDEREUQCSA-N 1 2 281.356 0.678 20 30 CCEDLO Cn1[nH]c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nc1=O ZINC000602905757 362878528 /nfs/dbraw/zinc/87/85/28/362878528.db2.gz AQUSLHOGIXDTCJ-UHFFFAOYSA-N 1 2 298.350 0.755 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000602908436 362879955 /nfs/dbraw/zinc/87/99/55/362879955.db2.gz PTGFPPBQEYBRCJ-GWCFXTLKSA-N 1 2 295.364 0.376 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000602908436 362879962 /nfs/dbraw/zinc/87/99/62/362879962.db2.gz PTGFPPBQEYBRCJ-GWCFXTLKSA-N 1 2 295.364 0.376 20 30 CCEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)NCC#N)c1C ZINC000602926510 362889432 /nfs/dbraw/zinc/88/94/32/362889432.db2.gz SCPDSQCKERSGIN-UHFFFAOYSA-N 1 2 263.345 0.591 20 30 CCEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)NCC#N)c1C ZINC000602926510 362889438 /nfs/dbraw/zinc/88/94/38/362889438.db2.gz SCPDSQCKERSGIN-UHFFFAOYSA-N 1 2 263.345 0.591 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](OC)C[C@]2(C)C(=O)OC)C1=O ZINC000602945887 362902876 /nfs/dbraw/zinc/90/28/76/362902876.db2.gz SLLQRRAJIGKZDA-SLEUVZQESA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](OC)C[C@]2(C)C(=O)OC)C1=O ZINC000602945887 362902880 /nfs/dbraw/zinc/90/28/80/362902880.db2.gz SLLQRRAJIGKZDA-SLEUVZQESA-N 1 2 296.367 0.426 20 30 CCEDLO CO[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@](C)(CO)C1 ZINC000602962776 362911110 /nfs/dbraw/zinc/91/11/10/362911110.db2.gz OXWBUWKYRMWCFI-ZYHUDNBSSA-N 1 2 267.354 0.986 20 30 CCEDLO CO[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@](C)(CO)C1 ZINC000602962776 362911117 /nfs/dbraw/zinc/91/11/17/362911117.db2.gz OXWBUWKYRMWCFI-ZYHUDNBSSA-N 1 2 267.354 0.986 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973503 362915521 /nfs/dbraw/zinc/91/55/21/362915521.db2.gz BAGJBCXLGGUGDA-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973503 362915525 /nfs/dbraw/zinc/91/55/25/362915525.db2.gz BAGJBCXLGGUGDA-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO CCOCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977577 362918558 /nfs/dbraw/zinc/91/85/58/362918558.db2.gz DCNGJDQMYYZFBZ-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977577 362918565 /nfs/dbraw/zinc/91/85/65/362918565.db2.gz DCNGJDQMYYZFBZ-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000347281759 137329022 /nfs/dbraw/zinc/32/90/22/137329022.db2.gz VRTMVJZYTIPGCU-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982764 362922390 /nfs/dbraw/zinc/92/23/90/362922390.db2.gz XVPXCVCDZXCZPR-MNOVXSKESA-N 1 2 259.375 0.502 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982764 362922395 /nfs/dbraw/zinc/92/23/95/362922395.db2.gz XVPXCVCDZXCZPR-MNOVXSKESA-N 1 2 259.375 0.502 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051102326 348483475 /nfs/dbraw/zinc/48/34/75/348483475.db2.gz AJVZJSDHNKFDFE-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051102326 348483477 /nfs/dbraw/zinc/48/34/77/348483477.db2.gz AJVZJSDHNKFDFE-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCNC(=O)CC1 ZINC000054257748 348546542 /nfs/dbraw/zinc/54/65/42/348546542.db2.gz UQVMZHOPHKULMO-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCNC(=O)CC1 ZINC000054257748 348546544 /nfs/dbraw/zinc/54/65/44/348546544.db2.gz UQVMZHOPHKULMO-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO N#CCCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000067130507 348767444 /nfs/dbraw/zinc/76/74/44/348767444.db2.gz DLSFEPJTSWVSNP-LBPRGKRZSA-N 1 2 251.330 0.613 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229598 348769068 /nfs/dbraw/zinc/76/90/68/348769068.db2.gz OHCULIAHOYJPOL-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229598 348769071 /nfs/dbraw/zinc/76/90/71/348769071.db2.gz OHCULIAHOYJPOL-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO N#Cc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)ccn1 ZINC000068766837 348820134 /nfs/dbraw/zinc/82/01/34/348820134.db2.gz RCJCAEKYSUUQBH-HNNXBMFYSA-N 1 2 272.352 0.860 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000074316538 348984967 /nfs/dbraw/zinc/98/49/67/348984967.db2.gz XTTHRWHETCHERG-ZDUSSCGKSA-N 1 2 279.365 0.811 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000074316538 348984968 /nfs/dbraw/zinc/98/49/68/348984968.db2.gz XTTHRWHETCHERG-ZDUSSCGKSA-N 1 2 279.365 0.811 20 30 CCEDLO C=C(Cl)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000077553969 349112897 /nfs/dbraw/zinc/11/28/97/349112897.db2.gz LJMIXCTXNKCZHQ-JTQLQIEISA-N 1 2 261.753 0.759 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970481 349416546 /nfs/dbraw/zinc/41/65/46/349416546.db2.gz IPVYHTVSXKVJIJ-SECBINFHSA-N 1 2 278.274 0.514 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)ncc1C#N ZINC000603117342 362968632 /nfs/dbraw/zinc/96/86/32/362968632.db2.gz HJKDEMQDNSFFQE-NSHDSACASA-N 1 2 282.307 0.627 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000163725784 350772334 /nfs/dbraw/zinc/77/23/34/350772334.db2.gz JVCNXAWTLRCTJS-OLZOCXBDSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000163725784 350772337 /nfs/dbraw/zinc/77/23/37/350772337.db2.gz JVCNXAWTLRCTJS-OLZOCXBDSA-N 1 2 260.293 0.666 20 30 CCEDLO N#Cc1ccc(OCCn2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000603177171 362986055 /nfs/dbraw/zinc/98/60/55/362986055.db2.gz MUQOTRBDCMROAJ-HNNXBMFYSA-N 1 2 299.334 0.890 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000175505323 351132300 /nfs/dbraw/zinc/13/23/00/351132300.db2.gz SFSRDRGBUHLBBI-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000175505323 351132302 /nfs/dbraw/zinc/13/23/02/351132302.db2.gz SFSRDRGBUHLBBI-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC#CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000179305979 351264122 /nfs/dbraw/zinc/26/41/22/351264122.db2.gz MQKFBQPJEZYZRE-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185119244 351432058 /nfs/dbraw/zinc/43/20/58/351432058.db2.gz OTUGPKDNGCBGNW-KPGGICDASA-N 1 2 285.413 0.494 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185119244 351432062 /nfs/dbraw/zinc/43/20/62/351432062.db2.gz OTUGPKDNGCBGNW-KPGGICDASA-N 1 2 285.413 0.494 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184584273 351416418 /nfs/dbraw/zinc/41/64/18/351416418.db2.gz GXZNWEPUKSCFDT-SNVBAGLBSA-N 1 2 281.312 0.569 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186026956 351472492 /nfs/dbraw/zinc/47/24/92/351472492.db2.gz PZAHJTBVISKCBZ-LBPRGKRZSA-N 1 2 258.325 0.935 20 30 CCEDLO C#C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000186037073 351472986 /nfs/dbraw/zinc/47/29/86/351472986.db2.gz TWXLWRLKPSQCKY-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO N#Cc1ccc2c(c1)N(C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC000339821574 215353069 /nfs/dbraw/zinc/35/30/69/215353069.db2.gz JBFAPYANUGCAMJ-OAHLLOKOSA-N 1 2 287.363 0.614 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1O ZINC000188841084 351633273 /nfs/dbraw/zinc/63/32/73/351633273.db2.gz VPTLBEXJOKKWRW-UHFFFAOYSA-N 1 2 289.335 0.716 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1O ZINC000188841084 351633278 /nfs/dbraw/zinc/63/32/78/351633278.db2.gz VPTLBEXJOKKWRW-UHFFFAOYSA-N 1 2 289.335 0.716 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192029998 351782086 /nfs/dbraw/zinc/78/20/86/351782086.db2.gz FEJOXFCAYOZUDJ-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192029998 351782089 /nfs/dbraw/zinc/78/20/89/351782089.db2.gz FEJOXFCAYOZUDJ-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000603934697 363173676 /nfs/dbraw/zinc/17/36/76/363173676.db2.gz CEEUMQCSVWTSHO-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000603934697 363173683 /nfs/dbraw/zinc/17/36/83/363173683.db2.gz CEEUMQCSVWTSHO-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249064383 352475054 /nfs/dbraw/zinc/47/50/54/352475054.db2.gz ZCZVNOOCOKNUDB-CABCVRRESA-N 1 2 295.383 0.532 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249064383 352475055 /nfs/dbraw/zinc/47/50/55/352475055.db2.gz ZCZVNOOCOKNUDB-CABCVRRESA-N 1 2 295.383 0.532 20 30 CCEDLO N#Cc1ccncc1C(=O)NCC[NH+]1CCOCC1 ZINC000259054374 352556506 /nfs/dbraw/zinc/55/65/06/352556506.db2.gz WCOOFGMEOKKIHV-UHFFFAOYSA-N 1 2 260.297 0.015 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000269647683 352858048 /nfs/dbraw/zinc/85/80/48/352858048.db2.gz SSZCRNGBWOXRPN-UHFFFAOYSA-N 1 2 273.336 0.617 20 30 CCEDLO N#Cc1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269527183 352838466 /nfs/dbraw/zinc/83/84/66/352838466.db2.gz XSIGHJRWFCUFDH-LBPRGKRZSA-N 1 2 287.323 0.878 20 30 CCEDLO CC#CCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000274348431 353121831 /nfs/dbraw/zinc/12/18/31/353121831.db2.gz FSWMQHQPUURFNL-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO CC#CCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000274348431 353121834 /nfs/dbraw/zinc/12/18/34/353121834.db2.gz FSWMQHQPUURFNL-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO C=CCOCC[N@@H+](C)Cc1nc(CCOC)no1 ZINC000292935891 353785981 /nfs/dbraw/zinc/78/59/81/353785981.db2.gz ZNCQBUOKDVPXRD-UHFFFAOYSA-N 1 2 255.318 0.893 20 30 CCEDLO C=CCOCC[N@H+](C)Cc1nc(CCOC)no1 ZINC000292935891 353785984 /nfs/dbraw/zinc/78/59/84/353785984.db2.gz ZNCQBUOKDVPXRD-UHFFFAOYSA-N 1 2 255.318 0.893 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298871049 353974513 /nfs/dbraw/zinc/97/45/13/353974513.db2.gz KDAGSGVLIYWVGA-NXEZZACHSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298871049 353974516 /nfs/dbraw/zinc/97/45/16/353974516.db2.gz KDAGSGVLIYWVGA-NXEZZACHSA-N 1 2 252.318 0.618 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330556198 354410488 /nfs/dbraw/zinc/41/04/88/354410488.db2.gz ZJKYDEUNBVTVOR-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330556198 354410490 /nfs/dbraw/zinc/41/04/90/354410490.db2.gz ZJKYDEUNBVTVOR-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)s2)C1 ZINC000331095099 354446664 /nfs/dbraw/zinc/44/66/64/354446664.db2.gz AXHDNUNXCYSYQC-VIFPVBQESA-N 1 2 265.338 0.680 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)s2)C1 ZINC000331095099 354446669 /nfs/dbraw/zinc/44/66/69/354446669.db2.gz AXHDNUNXCYSYQC-VIFPVBQESA-N 1 2 265.338 0.680 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(C#N)ccn1 ZINC000331317275 354532740 /nfs/dbraw/zinc/53/27/40/354532740.db2.gz DFFBHKUSWXOVDQ-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCCNC3=O)CC2)cc1 ZINC000336858488 355218659 /nfs/dbraw/zinc/21/86/59/355218659.db2.gz ZGDXLGUPUFEAMJ-MRXNPFEDSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCCNC3=O)CC2)cc1 ZINC000336858488 355218660 /nfs/dbraw/zinc/21/86/60/355218660.db2.gz ZGDXLGUPUFEAMJ-MRXNPFEDSA-N 1 2 298.390 0.954 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000338339727 355325393 /nfs/dbraw/zinc/32/53/93/355325393.db2.gz DIFLSKOLMACRJH-SRVKXCTJSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000338339727 355325395 /nfs/dbraw/zinc/32/53/95/355325395.db2.gz DIFLSKOLMACRJH-SRVKXCTJSA-N 1 2 282.340 0.036 20 30 CCEDLO Cc1cc(NC[C@H](O)COCC2CC2)c(C#N)c[nH+]1 ZINC000425219276 235274664 /nfs/dbraw/zinc/27/46/64/235274664.db2.gz GQQJBUYUUAHOIS-ZDUSSCGKSA-N 1 2 261.325 0.883 20 30 CCEDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(C#N)cn1 ZINC000425236970 235275367 /nfs/dbraw/zinc/27/53/67/235275367.db2.gz REQDBGNODBKEFH-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO N#Cc1ccc(NCC(=O)NCCCn2cc[nH+]c2)nc1 ZINC000345574819 355855709 /nfs/dbraw/zinc/85/57/09/355855709.db2.gz XFRKANWFSDQKMR-UHFFFAOYSA-N 1 2 284.323 0.190 20 30 CCEDLO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000352609958 356029209 /nfs/dbraw/zinc/02/92/09/356029209.db2.gz MLVVGSXAZYHEBM-SECBINFHSA-N 1 2 295.306 0.859 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273761701 192295696 /nfs/dbraw/zinc/29/56/96/192295696.db2.gz YHVNQYOKQRUTPY-HTQZYQBOSA-N 1 2 252.343 0.635 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000609283042 363486367 /nfs/dbraw/zinc/48/63/67/363486367.db2.gz OPTYGEGIBMRTTP-GFCCVEGCSA-N 1 2 277.328 0.597 20 30 CCEDLO N#CCN1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000609323206 363488590 /nfs/dbraw/zinc/48/85/90/363488590.db2.gz AREDLVIPWGLFJG-UHFFFAOYSA-N 1 2 290.371 0.560 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCCO)CC1 ZINC000619718804 366339316 /nfs/dbraw/zinc/33/93/16/366339316.db2.gz ZDJNIGQKFDNRBY-LBPRGKRZSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000619716225 366333615 /nfs/dbraw/zinc/33/36/15/366333615.db2.gz BFTDOQVSZKYECX-LBPRGKRZSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000619718600 366337885 /nfs/dbraw/zinc/33/78/85/366337885.db2.gz RITORZLWTNVTIA-UPJWGTAASA-N 1 2 283.368 0.966 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000619722536 366342662 /nfs/dbraw/zinc/34/26/62/366342662.db2.gz MFGPJRWNJVHTHA-LBPRGKRZSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000619722536 366342672 /nfs/dbraw/zinc/34/26/72/366342672.db2.gz MFGPJRWNJVHTHA-LBPRGKRZSA-N 1 2 268.357 0.952 20 30 CCEDLO CN(C)c1c[nH+]ccc1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000619807878 366358636 /nfs/dbraw/zinc/35/86/36/366358636.db2.gz KHGYJPQGUOGZEV-JTQLQIEISA-N 1 2 275.312 0.326 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1N ZINC000372721780 283244854 /nfs/dbraw/zinc/24/48/54/283244854.db2.gz WMJLGTKUIVETHO-MRVPVSSYSA-N 1 2 256.269 0.436 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000377225745 357555631 /nfs/dbraw/zinc/55/56/31/357555631.db2.gz QXIIWNRVAJTCLE-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000377225745 357555633 /nfs/dbraw/zinc/55/56/33/357555633.db2.gz QXIIWNRVAJTCLE-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2ccc(C#N)nn2)C1 ZINC000400898599 357795763 /nfs/dbraw/zinc/79/57/63/357795763.db2.gz LWRBOTPTAKHCMF-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2ccc(C#N)nn2)C1 ZINC000400898599 357795765 /nfs/dbraw/zinc/79/57/65/357795765.db2.gz LWRBOTPTAKHCMF-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000408081702 357909924 /nfs/dbraw/zinc/90/99/24/357909924.db2.gz NRNCWZQWLBQLAH-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000408081702 357909925 /nfs/dbraw/zinc/90/99/25/357909925.db2.gz NRNCWZQWLBQLAH-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn2c(n1)CCCC2 ZINC000563220429 358557079 /nfs/dbraw/zinc/55/70/79/358557079.db2.gz NVYWHKSENZOIJD-CQSZACIVSA-N 1 2 275.356 0.793 20 30 CCEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000569455760 358765239 /nfs/dbraw/zinc/76/52/39/358765239.db2.gz PLURZIBNJPSZEX-UHFFFAOYSA-N 1 2 275.312 0.095 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570093569 358822540 /nfs/dbraw/zinc/82/25/40/358822540.db2.gz WBPZQAHUATZBMZ-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570093569 358822543 /nfs/dbraw/zinc/82/25/43/358822543.db2.gz WBPZQAHUATZBMZ-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO Cc1cc(N2CCC(S(N)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000573361276 358959750 /nfs/dbraw/zinc/95/97/50/358959750.db2.gz QNGZTIGZEGZGLD-UHFFFAOYSA-N 1 2 280.353 0.519 20 30 CCEDLO Cn1[nH]c(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1=O ZINC000582351235 359137508 /nfs/dbraw/zinc/13/75/08/359137508.db2.gz SDNWCZWYNPJIRO-UHFFFAOYSA-N 1 2 269.308 0.759 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)ccn1 ZINC000610994422 363645571 /nfs/dbraw/zinc/64/55/71/363645571.db2.gz CHAZGRVFKMHIQP-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)ccn1 ZINC000610994422 363645576 /nfs/dbraw/zinc/64/55/76/363645576.db2.gz CHAZGRVFKMHIQP-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccnc(C#N)c1 ZINC000610993805 363644408 /nfs/dbraw/zinc/64/44/08/363644408.db2.gz JCLIMOIHLPOSJK-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccnc(C#N)c1 ZINC000610993805 363644411 /nfs/dbraw/zinc/64/44/11/363644411.db2.gz JCLIMOIHLPOSJK-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO Cc1nc(CN2CC[NH+](CCCCC#N)CC2)n[nH]1 ZINC000611072234 363654768 /nfs/dbraw/zinc/65/47/68/363654768.db2.gz XRIZIQKJYNAGKM-UHFFFAOYSA-N 1 2 262.361 0.925 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000588667881 359329709 /nfs/dbraw/zinc/32/97/09/359329709.db2.gz WCZVTKDNUZDCSU-CQSZACIVSA-N 1 2 289.383 0.655 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005814 359415580 /nfs/dbraw/zinc/41/55/80/359415580.db2.gz PTGPOPUKBADZGG-URLYPYJESA-N 1 2 277.349 0.728 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005814 359415584 /nfs/dbraw/zinc/41/55/84/359415584.db2.gz PTGPOPUKBADZGG-URLYPYJESA-N 1 2 277.349 0.728 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000590162453 359428538 /nfs/dbraw/zinc/42/85/38/359428538.db2.gz IFYLUOIKWQDJHE-LBPRGKRZSA-N 1 2 284.356 0.959 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000590162453 359428540 /nfs/dbraw/zinc/42/85/40/359428540.db2.gz IFYLUOIKWQDJHE-LBPRGKRZSA-N 1 2 284.356 0.959 20 30 CCEDLO CNC(=O)C[C@@]1(O)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591617972 359613422 /nfs/dbraw/zinc/61/34/22/359613422.db2.gz LOCRMVXKNYYURV-HNNXBMFYSA-N 1 2 288.351 0.729 20 30 CCEDLO CC(C)c1nc(N2CC[C@@](O)(CC#N)C2)nc(N(C)C)[nH+]1 ZINC000591974494 359716656 /nfs/dbraw/zinc/71/66/56/359716656.db2.gz JHWSPKFELGRNIB-AWEZNQCLSA-N 1 2 290.371 0.916 20 30 CCEDLO CC(C)c1nc(N(C)C)nc(N2CC[C@@](O)(CC#N)C2)[nH+]1 ZINC000591974494 359716659 /nfs/dbraw/zinc/71/66/59/359716659.db2.gz JHWSPKFELGRNIB-AWEZNQCLSA-N 1 2 290.371 0.916 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155268 359771446 /nfs/dbraw/zinc/77/14/46/359771446.db2.gz ZGTLGQUYVNPZKM-SMDDNHRTSA-N 1 2 276.340 0.288 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592155268 359771452 /nfs/dbraw/zinc/77/14/52/359771452.db2.gz ZGTLGQUYVNPZKM-SMDDNHRTSA-N 1 2 276.340 0.288 20 30 CCEDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592154906 359772003 /nfs/dbraw/zinc/77/20/03/359772003.db2.gz VTWBAWIATSWMID-GXFFZTMASA-N 1 2 262.313 0.902 20 30 CCEDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592154906 359772009 /nfs/dbraw/zinc/77/20/09/359772009.db2.gz VTWBAWIATSWMID-GXFFZTMASA-N 1 2 262.313 0.902 20 30 CCEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152574 359770482 /nfs/dbraw/zinc/77/04/82/359770482.db2.gz YAXMEBLASGAWTQ-SNVBAGLBSA-N 1 2 279.262 0.358 20 30 CCEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152574 359770487 /nfs/dbraw/zinc/77/04/87/359770487.db2.gz YAXMEBLASGAWTQ-SNVBAGLBSA-N 1 2 279.262 0.358 20 30 CCEDLO CC(C)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000611173806 363671442 /nfs/dbraw/zinc/67/14/42/363671442.db2.gz LRDOKWOIZFPEKM-ZDUSSCGKSA-N 1 2 264.373 0.527 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000592838522 359949434 /nfs/dbraw/zinc/94/94/34/359949434.db2.gz GSHHFKAILTXUCM-CQSZACIVSA-N 1 2 270.292 0.825 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000593153210 360048760 /nfs/dbraw/zinc/04/87/60/360048760.db2.gz DPPKYUHBKSFECA-LBPRGKRZSA-N 1 2 262.317 0.038 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094978 360034241 /nfs/dbraw/zinc/03/42/41/360034241.db2.gz MSGWEPDRXJYJJM-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094978 360034243 /nfs/dbraw/zinc/03/42/43/360034243.db2.gz MSGWEPDRXJYJJM-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C#N)n1 ZINC000593153102 360047689 /nfs/dbraw/zinc/04/76/89/360047689.db2.gz HZESMBZAFUWENQ-ZDUSSCGKSA-N 1 2 257.297 0.527 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000593456365 360092674 /nfs/dbraw/zinc/09/26/74/360092674.db2.gz RXFDLEHPBAIDMV-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2cncc(C(=O)OC)c2)nn1 ZINC000594651644 360350425 /nfs/dbraw/zinc/35/04/25/360350425.db2.gz FFSQTPRRBDAYPO-UHFFFAOYSA-N 1 2 285.307 0.562 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000595287330 360481368 /nfs/dbraw/zinc/48/13/68/360481368.db2.gz PWKQKCXBDVCIEQ-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000595287330 360481371 /nfs/dbraw/zinc/48/13/71/360481371.db2.gz PWKQKCXBDVCIEQ-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2ccnc(C#N)n2)CC1 ZINC000563421014 291227527 /nfs/dbraw/zinc/22/75/27/291227527.db2.gz POKIIDXBDVKXAQ-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595401575 360520802 /nfs/dbraw/zinc/52/08/02/360520802.db2.gz LJOZDGBNFBEPNI-SECBINFHSA-N 1 2 265.317 0.242 20 30 CCEDLO COC(=O)CN(CC#N)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000595343114 360501546 /nfs/dbraw/zinc/50/15/46/360501546.db2.gz XJANCVWZXFDFBC-RYUDHWBXSA-N 1 2 269.345 0.094 20 30 CCEDLO COC(=O)[C@](C)(CO)[NH2+]CCc1ccc(C#N)cc1 ZINC000595534218 360569972 /nfs/dbraw/zinc/56/99/72/360569972.db2.gz RATFKKUZFBPMEE-AWEZNQCLSA-N 1 2 262.309 0.614 20 30 CCEDLO N#Cc1cccc(CNC(=O)CN2CCn3c[nH+]cc3C2)c1 ZINC000595494566 360550023 /nfs/dbraw/zinc/55/00/23/360550023.db2.gz KRKKFYNNCUKPTC-UHFFFAOYSA-N 1 2 295.346 0.887 20 30 CCEDLO C[C@@H](CCC#N)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595751158 360640103 /nfs/dbraw/zinc/64/01/03/360640103.db2.gz CRXSQWOHGMYHCB-WDEREUQCSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@@H](CCC#N)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595751158 360640104 /nfs/dbraw/zinc/64/01/04/360640104.db2.gz CRXSQWOHGMYHCB-WDEREUQCSA-N 1 2 259.375 0.644 20 30 CCEDLO NC(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000178674358 189136503 /nfs/dbraw/zinc/13/65/03/189136503.db2.gz ARUMTHRSFCVCTF-UHFFFAOYSA-N 1 2 291.782 0.794 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cnn1C ZINC000596124194 360803589 /nfs/dbraw/zinc/80/35/89/360803589.db2.gz SAUQLAHKCHLWRK-NSHDSACASA-N 1 2 262.361 0.340 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)cnn1 ZINC000596231592 360846510 /nfs/dbraw/zinc/84/65/10/360846510.db2.gz LKGHICOHBJGPMC-AAEUAGOBSA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc(C#N)cnn1 ZINC000596434953 360895433 /nfs/dbraw/zinc/89/54/33/360895433.db2.gz ZOLOSXHVOPPZLA-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc(C#N)cnn1 ZINC000596434953 360895437 /nfs/dbraw/zinc/89/54/37/360895437.db2.gz ZOLOSXHVOPPZLA-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596550306 360919124 /nfs/dbraw/zinc/91/91/24/360919124.db2.gz LUMIPMQQSFSYFI-ZDUSSCGKSA-N 1 2 294.399 0.900 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596426549 360890830 /nfs/dbraw/zinc/89/08/30/360890830.db2.gz BQYSBZBHEHEVNQ-RYUDHWBXSA-N 1 2 275.356 0.600 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596426549 360890836 /nfs/dbraw/zinc/89/08/36/360890836.db2.gz BQYSBZBHEHEVNQ-RYUDHWBXSA-N 1 2 275.356 0.600 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C#N)[C@@H](C)CO1 ZINC000596550995 360920021 /nfs/dbraw/zinc/92/00/21/360920021.db2.gz YBBFJBKYZTYDBJ-NWDGAFQWSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C#N)[C@@H](C)CO1 ZINC000596550995 360920024 /nfs/dbraw/zinc/92/00/24/360920024.db2.gz YBBFJBKYZTYDBJ-NWDGAFQWSA-N 1 2 282.388 0.945 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3cc[nH]n3)CC2)nc1 ZINC000179988895 189230939 /nfs/dbraw/zinc/23/09/39/189230939.db2.gz NLTPAKPEAIARAP-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO N#CC1(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000597419494 361091487 /nfs/dbraw/zinc/09/14/87/361091487.db2.gz GWCXCNATCSSDHU-CQSZACIVSA-N 1 2 290.411 0.967 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597902654 361280153 /nfs/dbraw/zinc/28/01/53/361280153.db2.gz BMGJSMVTRYOXOD-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597902654 361280155 /nfs/dbraw/zinc/28/01/55/361280155.db2.gz BMGJSMVTRYOXOD-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000598628079 361467216 /nfs/dbraw/zinc/46/72/16/361467216.db2.gz LOANURFFZWBUKR-NSHDSACASA-N 1 2 251.334 0.548 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000598628079 361467223 /nfs/dbraw/zinc/46/72/23/361467223.db2.gz LOANURFFZWBUKR-NSHDSACASA-N 1 2 251.334 0.548 20 30 CCEDLO Cc1nnc(NC[C@H]2COCC[N@H+]2C)c(C#N)c1C ZINC000599160542 361592598 /nfs/dbraw/zinc/59/25/98/361592598.db2.gz MGQAUBAGYGDUHN-NSHDSACASA-N 1 2 261.329 0.708 20 30 CCEDLO Cc1nnc(NC[C@H]2COCC[N@@H+]2C)c(C#N)c1C ZINC000599160542 361592601 /nfs/dbraw/zinc/59/26/01/361592601.db2.gz MGQAUBAGYGDUHN-NSHDSACASA-N 1 2 261.329 0.708 20 30 CCEDLO C=CCCSCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599095225 361572705 /nfs/dbraw/zinc/57/27/05/361572705.db2.gz BIUFNOHLYQXYPA-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCCSCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599095225 361572710 /nfs/dbraw/zinc/57/27/10/361572710.db2.gz BIUFNOHLYQXYPA-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386543 361681672 /nfs/dbraw/zinc/68/16/72/361681672.db2.gz OATUVZQPXKHBIL-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386543 361681677 /nfs/dbraw/zinc/68/16/77/361681677.db2.gz OATUVZQPXKHBIL-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000612901541 364038234 /nfs/dbraw/zinc/03/82/34/364038234.db2.gz GPFKBWRHCDKGQS-BXUZGUMPSA-N 1 2 261.325 0.714 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000614178068 364521545 /nfs/dbraw/zinc/52/15/45/364521545.db2.gz JIFFITQVJUDEJK-WCQYABFASA-N 1 2 256.346 0.103 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615849031 365107347 /nfs/dbraw/zinc/10/73/47/365107347.db2.gz LPNATUSYNQCNAR-TUAOUCFPSA-N 1 2 261.325 0.905 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565158212 291348568 /nfs/dbraw/zinc/34/85/68/291348568.db2.gz RFCBQESLONQRKD-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565158212 291348571 /nfs/dbraw/zinc/34/85/71/291348571.db2.gz RFCBQESLONQRKD-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000625729841 368306685 /nfs/dbraw/zinc/30/66/85/368306685.db2.gz MGQKDSJFFOBXMZ-LBPRGKRZSA-N 1 2 274.386 0.033 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626379851 368530801 /nfs/dbraw/zinc/53/08/01/368530801.db2.gz PSTLVYBMXMQWKA-LLVKDONJSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCN(C(=O)C(=O)Nc1c[nH+]ccc1OC)C1CC1 ZINC000276036383 193194161 /nfs/dbraw/zinc/19/41/61/193194161.db2.gz LTVHTHUNCGGPFC-UHFFFAOYSA-N 1 2 273.292 0.653 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1F ZINC000330650979 203080342 /nfs/dbraw/zinc/08/03/42/203080342.db2.gz PUJFNBIDEATSEL-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1F ZINC000330650979 203080346 /nfs/dbraw/zinc/08/03/46/203080346.db2.gz PUJFNBIDEATSEL-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576157 369327336 /nfs/dbraw/zinc/32/73/36/369327336.db2.gz JJHCYJNISNNPBL-MRXNPFEDSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576157 369327338 /nfs/dbraw/zinc/32/73/38/369327338.db2.gz JJHCYJNISNNPBL-MRXNPFEDSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636931403 373829535 /nfs/dbraw/zinc/82/95/35/373829535.db2.gz QWWNPYAZHHTTJT-NSHDSACASA-N 1 2 264.329 0.700 20 30 CCEDLO C=CC[N@H+](CCc1cnccn1)[C@H]1CCS(=O)(=O)C1 ZINC000639531583 375825468 /nfs/dbraw/zinc/82/54/68/375825468.db2.gz KGTOYZRXRIRKDQ-ZDUSSCGKSA-N 1 2 281.381 0.694 20 30 CCEDLO C=CC[N@@H+](CCc1cnccn1)[C@H]1CCS(=O)(=O)C1 ZINC000639531583 375825471 /nfs/dbraw/zinc/82/54/71/375825471.db2.gz KGTOYZRXRIRKDQ-ZDUSSCGKSA-N 1 2 281.381 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639687155 375916968 /nfs/dbraw/zinc/91/69/68/375916968.db2.gz CPFWXZNTWTUHKR-GMTAPVOTSA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639687155 375916972 /nfs/dbraw/zinc/91/69/72/375916972.db2.gz CPFWXZNTWTUHKR-GMTAPVOTSA-N 1 2 253.346 0.228 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000263717102 190074438 /nfs/dbraw/zinc/07/44/38/190074438.db2.gz WGLBNNDOLSQMIV-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000264151378 190093481 /nfs/dbraw/zinc/09/34/81/190093481.db2.gz IRRNXKDIYPAUNE-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000264151378 190093482 /nfs/dbraw/zinc/09/34/82/190093482.db2.gz IRRNXKDIYPAUNE-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)CC)nn1 ZINC000640791157 376539636 /nfs/dbraw/zinc/53/96/36/376539636.db2.gz VBSYJDXMLQGMQM-LLVKDONJSA-N 1 2 263.345 0.306 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(CO)cc2)nn1 ZINC000641036008 376695616 /nfs/dbraw/zinc/69/56/16/376695616.db2.gz APSWCHGDNMSYRL-UHFFFAOYSA-N 1 2 270.336 0.932 20 30 CCEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278665072 194091906 /nfs/dbraw/zinc/09/19/06/194091906.db2.gz HXNOYESMVSCTNF-TXEJJXNPSA-N 1 2 297.152 0.858 20 30 CCEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278665072 194091908 /nfs/dbraw/zinc/09/19/08/194091908.db2.gz HXNOYESMVSCTNF-TXEJJXNPSA-N 1 2 297.152 0.858 20 30 CCEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](CO)O1 ZINC000248860271 285085651 /nfs/dbraw/zinc/08/56/51/285085651.db2.gz AAZJHVIWQDGCLF-FZMZJTMJSA-N 1 2 286.335 0.788 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)nn1 ZINC000657433211 412990196 /nfs/dbraw/zinc/99/01/96/412990196.db2.gz YGRKQXIXFWOXJZ-CYBMUJFWSA-N 1 2 298.412 0.911 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000024950292 388811601 /nfs/dbraw/zinc/81/16/01/388811601.db2.gz VCTSXWTVVOYKQC-MXWKQRLJSA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000284190052 388774265 /nfs/dbraw/zinc/77/42/65/388774265.db2.gz YFODTUMEEBKBIY-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000184573903 388775607 /nfs/dbraw/zinc/77/56/07/388775607.db2.gz JWPRMGPRJUYJCM-SGTLLEGYSA-N 1 2 272.414 0.886 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000184573903 388775608 /nfs/dbraw/zinc/77/56/08/388775608.db2.gz JWPRMGPRJUYJCM-SGTLLEGYSA-N 1 2 272.414 0.886 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185969417 388819562 /nfs/dbraw/zinc/81/95/62/388819562.db2.gz QBBVTASLBITANX-WFASDCNBSA-N 1 2 294.399 0.724 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185969417 388819565 /nfs/dbraw/zinc/81/95/65/388819565.db2.gz QBBVTASLBITANX-WFASDCNBSA-N 1 2 294.399 0.724 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CO)CC1 ZINC000186354622 388833634 /nfs/dbraw/zinc/83/36/34/388833634.db2.gz WKCCLOIVEYIYGC-GFCCVEGCSA-N 1 2 273.336 0.756 20 30 CCEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000186518168 388838434 /nfs/dbraw/zinc/83/84/34/388838434.db2.gz VMYSKMWYIINIMX-UHFFFAOYSA-N 1 2 292.770 0.815 20 30 CCEDLO C=CCNC(=O)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000288395645 388861583 /nfs/dbraw/zinc/86/15/83/388861583.db2.gz FZGSZIVLCLTJJX-UHFFFAOYSA-N 1 2 289.326 0.382 20 30 CCEDLO CC(C)(CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000041766260 388863333 /nfs/dbraw/zinc/86/33/33/388863333.db2.gz PISDZXCKRRNENM-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000042389918 388865816 /nfs/dbraw/zinc/86/58/16/388865816.db2.gz WDZNPSDKUXIIOL-UHFFFAOYSA-N 1 2 290.392 0.983 20 30 CCEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000289479606 388870831 /nfs/dbraw/zinc/87/08/31/388870831.db2.gz IFDZZNJGFCTTRR-UHFFFAOYSA-N 1 2 282.369 0.129 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000048048016 388885903 /nfs/dbraw/zinc/88/59/03/388885903.db2.gz MSUYHFVGCXLOLI-AWEZNQCLSA-N 1 2 282.388 0.628 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000048048016 388885904 /nfs/dbraw/zinc/88/59/04/388885904.db2.gz MSUYHFVGCXLOLI-AWEZNQCLSA-N 1 2 282.388 0.628 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@H](C=C)CO)[nH+]cn1 ZINC000291183031 388918441 /nfs/dbraw/zinc/91/84/41/388918441.db2.gz SBPKOMUIEKNRQZ-NXEZZACHSA-N 1 2 250.302 0.394 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000291279168 388920127 /nfs/dbraw/zinc/92/01/27/388920127.db2.gz QFGNELHDEVABDP-CQSZACIVSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000291279168 388920130 /nfs/dbraw/zinc/92/01/30/388920130.db2.gz QFGNELHDEVABDP-CQSZACIVSA-N 1 2 282.384 0.924 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCNC1=O)Cc1ccc(F)cc1 ZINC000065958453 388944440 /nfs/dbraw/zinc/94/44/40/388944440.db2.gz XRSTWDIYRDCIMM-UHFFFAOYSA-N 1 2 289.310 0.813 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCNC1=O)Cc1ccc(F)cc1 ZINC000065958453 388944441 /nfs/dbraw/zinc/94/44/41/388944441.db2.gz XRSTWDIYRDCIMM-UHFFFAOYSA-N 1 2 289.310 0.813 20 30 CCEDLO C#CC[N@@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000066539173 388945616 /nfs/dbraw/zinc/94/56/16/388945616.db2.gz CURJBINVLSYECP-LBPRGKRZSA-N 1 2 267.354 0.005 20 30 CCEDLO C#CC[N@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000066539173 388945617 /nfs/dbraw/zinc/94/56/17/388945617.db2.gz CURJBINVLSYECP-LBPRGKRZSA-N 1 2 267.354 0.005 20 30 CCEDLO C#CC[N@@H+](CCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066539063 388945626 /nfs/dbraw/zinc/94/56/26/388945626.db2.gz ZSSKNZLTXSECIU-LBPRGKRZSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@H+](CCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066539063 388945631 /nfs/dbraw/zinc/94/56/31/388945631.db2.gz ZSSKNZLTXSECIU-LBPRGKRZSA-N 1 2 259.371 0.534 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000293258751 388981104 /nfs/dbraw/zinc/98/11/04/388981104.db2.gz UHYYBRVOZMLUAQ-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000293258751 388981106 /nfs/dbraw/zinc/98/11/06/388981106.db2.gz UHYYBRVOZMLUAQ-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000074755800 388982208 /nfs/dbraw/zinc/98/22/08/388982208.db2.gz FRIITCICIIOQMO-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000074755800 388982212 /nfs/dbraw/zinc/98/22/12/388982212.db2.gz FRIITCICIIOQMO-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000076185998 388986266 /nfs/dbraw/zinc/98/62/66/388986266.db2.gz KQRSHEZBHUJIBB-CABCVRRESA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000192222611 389028204 /nfs/dbraw/zinc/02/82/04/389028204.db2.gz ZIKSBCULTTZXOY-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000192222611 389028207 /nfs/dbraw/zinc/02/82/07/389028207.db2.gz ZIKSBCULTTZXOY-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000192228834 389029871 /nfs/dbraw/zinc/02/98/71/389029871.db2.gz FYXZUBXWYYIBHA-LLVKDONJSA-N 1 2 273.336 0.938 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000192228834 389029874 /nfs/dbraw/zinc/02/98/74/389029874.db2.gz FYXZUBXWYYIBHA-LLVKDONJSA-N 1 2 273.336 0.938 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000192225471 389030010 /nfs/dbraw/zinc/03/00/10/389030010.db2.gz PDXUIUQDDNJFSB-UHFFFAOYSA-N 1 2 278.312 0.100 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000192225471 389030012 /nfs/dbraw/zinc/03/00/12/389030012.db2.gz PDXUIUQDDNJFSB-UHFFFAOYSA-N 1 2 278.312 0.100 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000298440135 389019603 /nfs/dbraw/zinc/01/96/03/389019603.db2.gz CATHFZHKQFYRIP-LBPRGKRZSA-N 1 2 273.336 0.895 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000298440135 389019608 /nfs/dbraw/zinc/01/96/08/389019608.db2.gz CATHFZHKQFYRIP-LBPRGKRZSA-N 1 2 273.336 0.895 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000354357063 389021540 /nfs/dbraw/zinc/02/15/40/389021540.db2.gz BCJQBNGASGEXNC-CQSZACIVSA-N 1 2 283.372 0.079 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301277905 389049437 /nfs/dbraw/zinc/04/94/37/389049437.db2.gz MTZQKWKIBRVMNR-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO N#CC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC000098113339 389069975 /nfs/dbraw/zinc/06/99/75/389069975.db2.gz JEJJAGFODKTGKQ-ZDUSSCGKSA-N 1 2 295.383 0.270 20 30 CCEDLO N#CCN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000092936489 389033470 /nfs/dbraw/zinc/03/34/70/389033470.db2.gz DGBFOJXMHOUXCU-UHFFFAOYSA-N 1 2 264.354 0.488 20 30 CCEDLO NC(CCO)=[NH+]O[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000121349843 389147137 /nfs/dbraw/zinc/14/71/37/389147137.db2.gz BIXOAXSWQWHIBY-LBPRGKRZSA-N 1 2 295.314 0.992 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC000356870768 389129649 /nfs/dbraw/zinc/12/96/49/389129649.db2.gz HPBDFMWXHOHDAU-NWDGAFQWSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC000356870768 389129652 /nfs/dbraw/zinc/12/96/52/389129652.db2.gz HPBDFMWXHOHDAU-NWDGAFQWSA-N 1 2 256.346 0.150 20 30 CCEDLO Cc1nnc(CCNC(=O)C(C)(C)[NH+]2CCOCC2)[nH]1 ZINC000328695857 389132490 /nfs/dbraw/zinc/13/24/90/389132490.db2.gz TYNVNOZYFNGPIA-UHFFFAOYSA-N 1 2 281.360 0.723 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328771776 389137433 /nfs/dbraw/zinc/13/74/33/389137433.db2.gz GYIMMVPNOZNYAK-MNOVXSKESA-N 1 2 251.330 0.824 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328771776 389137435 /nfs/dbraw/zinc/13/74/35/389137435.db2.gz GYIMMVPNOZNYAK-MNOVXSKESA-N 1 2 251.330 0.824 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000339751875 389138886 /nfs/dbraw/zinc/13/88/86/389138886.db2.gz UZUDLMXAPXTJEO-UHFFFAOYSA-N 1 2 271.320 0.927 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000339751875 389138890 /nfs/dbraw/zinc/13/88/90/389138890.db2.gz UZUDLMXAPXTJEO-UHFFFAOYSA-N 1 2 271.320 0.927 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000359674209 389181268 /nfs/dbraw/zinc/18/12/68/389181268.db2.gz AHPNBSWRSVUQHR-STQMWFEESA-N 1 2 268.405 0.886 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000359674209 389181270 /nfs/dbraw/zinc/18/12/70/389181270.db2.gz AHPNBSWRSVUQHR-STQMWFEESA-N 1 2 268.405 0.886 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cncnc3)C[C@H]21 ZINC000329853216 389205832 /nfs/dbraw/zinc/20/58/32/389205832.db2.gz VHKKDZAGMWFKQS-MNOVXSKESA-N 1 2 263.301 0.037 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cncnc3)C[C@H]21 ZINC000329853216 389205835 /nfs/dbraw/zinc/20/58/35/389205835.db2.gz VHKKDZAGMWFKQS-MNOVXSKESA-N 1 2 263.301 0.037 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360116225 389191192 /nfs/dbraw/zinc/19/11/92/389191192.db2.gz QUFYRFWDSTUOIL-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360116225 389191195 /nfs/dbraw/zinc/19/11/95/389191195.db2.gz QUFYRFWDSTUOIL-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000329726402 389192785 /nfs/dbraw/zinc/19/27/85/389192785.db2.gz CDSMSOSYUFJYHE-CYBMUJFWSA-N 1 2 297.399 0.924 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000329726402 389192787 /nfs/dbraw/zinc/19/27/87/389192787.db2.gz CDSMSOSYUFJYHE-CYBMUJFWSA-N 1 2 297.399 0.924 20 30 CCEDLO N#CCCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360186673 389193266 /nfs/dbraw/zinc/19/32/66/389193266.db2.gz BRLVLFKYRIEMFJ-UHFFFAOYSA-N 1 2 261.329 0.748 20 30 CCEDLO C[C@H](C(=O)Nc1cn(C)nn1)[NH+]1CCSCC1 ZINC000329733364 389194027 /nfs/dbraw/zinc/19/40/27/389194027.db2.gz JOGRFRZTHKTVAL-MRVPVSSYSA-N 1 2 255.347 0.840 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnn(CC)c2)CC1 ZINC000122215949 389151569 /nfs/dbraw/zinc/15/15/69/389151569.db2.gz QDQLJMPLGHOCOT-UHFFFAOYSA-N 1 2 291.399 0.323 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000122215949 389151572 /nfs/dbraw/zinc/15/15/72/389151572.db2.gz QDQLJMPLGHOCOT-UHFFFAOYSA-N 1 2 291.399 0.323 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCCc1ccccc1 ZINC000123255160 389155011 /nfs/dbraw/zinc/15/50/11/389155011.db2.gz MSBKKTWASRLQNP-UHFFFAOYSA-N 1 2 263.341 0.850 20 30 CCEDLO COc1ccc(CCO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000123255513 389155608 /nfs/dbraw/zinc/15/56/08/389155608.db2.gz JEFLFQXXPIBWEX-UHFFFAOYSA-N 1 2 293.367 0.859 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000358612200 389155786 /nfs/dbraw/zinc/15/57/86/389155786.db2.gz YQJQYOAHOFXHAC-LLVKDONJSA-N 1 2 264.329 0.494 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000358795202 389160365 /nfs/dbraw/zinc/16/03/65/389160365.db2.gz XQMMFSJFIQXEJW-QMMMGPOBSA-N 1 2 292.261 0.792 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(O)CCCCC2)C1 ZINC000329386247 389161496 /nfs/dbraw/zinc/16/14/96/389161496.db2.gz SJLGZGRLDSFSSM-ZDUSSCGKSA-N 1 2 298.431 0.431 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(O)CCCCC2)C1 ZINC000329386247 389161498 /nfs/dbraw/zinc/16/14/98/389161498.db2.gz SJLGZGRLDSFSSM-ZDUSSCGKSA-N 1 2 298.431 0.431 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCCO2)C1 ZINC000329441830 389164242 /nfs/dbraw/zinc/16/42/42/389164242.db2.gz LBSKUJOPVQCWSM-OLZOCXBDSA-N 1 2 284.404 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCCO2)C1 ZINC000329441830 389164243 /nfs/dbraw/zinc/16/42/43/389164243.db2.gz LBSKUJOPVQCWSM-OLZOCXBDSA-N 1 2 284.404 0.305 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000329475140 389165625 /nfs/dbraw/zinc/16/56/25/389165625.db2.gz BBXNIGIGBJBHFF-BFHYXJOUSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@@H]1CCCOC1 ZINC000329475140 389165627 /nfs/dbraw/zinc/16/56/27/389165627.db2.gz BBXNIGIGBJBHFF-BFHYXJOUSA-N 1 2 298.431 0.551 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)nn1 ZINC000657640524 413040834 /nfs/dbraw/zinc/04/08/34/413040834.db2.gz XVBHHKQXWTXHQR-VXGBXAGGSA-N 1 2 298.412 0.910 20 30 CCEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCCOC1 ZINC000329542333 389169747 /nfs/dbraw/zinc/16/97/47/389169747.db2.gz DVSURJJTECCNJF-NXEZZACHSA-N 1 2 264.329 0.950 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127994177 389175270 /nfs/dbraw/zinc/17/52/70/389175270.db2.gz YHZOVHVIHGHZBA-QWRGUYRKSA-N 1 2 291.317 0.693 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127994177 389175273 /nfs/dbraw/zinc/17/52/73/389175273.db2.gz YHZOVHVIHGHZBA-QWRGUYRKSA-N 1 2 291.317 0.693 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000128348516 389176346 /nfs/dbraw/zinc/17/63/46/389176346.db2.gz BORJZCSBBARNMN-UHFFFAOYSA-N 1 2 276.311 0.982 20 30 CCEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(C)n1 ZINC000330578511 389243599 /nfs/dbraw/zinc/24/35/99/389243599.db2.gz HSLZMWUXQSUHKI-CYBMUJFWSA-N 1 2 293.367 0.696 20 30 CCEDLO C=CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000342783365 389252757 /nfs/dbraw/zinc/25/27/57/389252757.db2.gz PKICALTXKCJCTN-GFCCVEGCSA-N 1 2 283.397 0.904 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000249735705 389258643 /nfs/dbraw/zinc/25/86/43/389258643.db2.gz FJTCHMRNBHRTER-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000249735705 389258645 /nfs/dbraw/zinc/25/86/45/389258645.db2.gz FJTCHMRNBHRTER-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135620641 389260061 /nfs/dbraw/zinc/26/00/61/389260061.db2.gz XNUVNNTUHKUKJF-CYBMUJFWSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135620641 389260063 /nfs/dbraw/zinc/26/00/63/389260063.db2.gz XNUVNNTUHKUKJF-CYBMUJFWSA-N 1 2 295.383 0.628 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342288325 389207709 /nfs/dbraw/zinc/20/77/09/389207709.db2.gz OWELLDDDFCFRKJ-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000131521737 389214038 /nfs/dbraw/zinc/21/40/38/389214038.db2.gz OLBPIXXKRMPRPV-HNNXBMFYSA-N 1 2 281.400 0.861 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000131521737 389214041 /nfs/dbraw/zinc/21/40/41/389214041.db2.gz OLBPIXXKRMPRPV-HNNXBMFYSA-N 1 2 281.400 0.861 20 30 CCEDLO C=CCC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000131521737 389214044 /nfs/dbraw/zinc/21/40/44/389214044.db2.gz OLBPIXXKRMPRPV-HNNXBMFYSA-N 1 2 281.400 0.861 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330461177 389231644 /nfs/dbraw/zinc/23/16/44/389231644.db2.gz LHFJUWRIHBIQBZ-QWHCGFSZSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330461177 389231645 /nfs/dbraw/zinc/23/16/45/389231645.db2.gz LHFJUWRIHBIQBZ-QWHCGFSZSA-N 1 2 277.299 0.573 20 30 CCEDLO CCc1ocnc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330483363 389234492 /nfs/dbraw/zinc/23/44/92/389234492.db2.gz VLUMBYJUUHLBPQ-JTQLQIEISA-N 1 2 283.328 0.235 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000362371095 389234663 /nfs/dbraw/zinc/23/46/63/389234663.db2.gz PIYASRCQDSFNII-QJPTWQEYSA-N 1 2 255.362 0.969 20 30 CCEDLO COC(=O)CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157250586 389330514 /nfs/dbraw/zinc/33/05/14/389330514.db2.gz GQTHNIIDXSPQDJ-UHFFFAOYSA-N 1 2 269.345 0.537 20 30 CCEDLO COC(=O)CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157250586 389330517 /nfs/dbraw/zinc/33/05/17/389330517.db2.gz GQTHNIIDXSPQDJ-UHFFFAOYSA-N 1 2 269.345 0.537 20 30 CCEDLO Cn1ccnc1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000332086669 389334140 /nfs/dbraw/zinc/33/41/40/389334140.db2.gz HOZAVBAURJTSFS-UHFFFAOYSA-N 1 2 298.394 0.948 20 30 CCEDLO COCC[N@H+](CCO)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000158057871 389335363 /nfs/dbraw/zinc/33/53/63/389335363.db2.gz RYVJNJJMOZLSSO-UHFFFAOYSA-N 1 2 295.339 0.647 20 30 CCEDLO COCC[N@@H+](CCO)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000158057871 389335366 /nfs/dbraw/zinc/33/53/66/389335366.db2.gz RYVJNJJMOZLSSO-UHFFFAOYSA-N 1 2 295.339 0.647 20 30 CCEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)NC1(C#N)CCC1 ZINC000346834459 389338477 /nfs/dbraw/zinc/33/84/77/389338477.db2.gz AAOUGZBZUNZNHZ-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)NC1(C#N)CCC1 ZINC000346834459 389338480 /nfs/dbraw/zinc/33/84/80/389338480.db2.gz AAOUGZBZUNZNHZ-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330991158 389274989 /nfs/dbraw/zinc/27/49/89/389274989.db2.gz YLPPPKPBUVAFSR-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO COc1cc(C#N)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000153340243 389299059 /nfs/dbraw/zinc/29/90/59/389299059.db2.gz CSJWPAOTDSCRET-CYBMUJFWSA-N 1 2 292.335 0.639 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348364332 389374567 /nfs/dbraw/zinc/37/45/67/389374567.db2.gz MGDAEPBAMQBXFP-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348364332 389374570 /nfs/dbraw/zinc/37/45/70/389374570.db2.gz MGDAEPBAMQBXFP-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000348430091 389376647 /nfs/dbraw/zinc/37/66/47/389376647.db2.gz OHKFWNIQUAETLB-SNVBAGLBSA-N 1 2 264.285 0.006 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000269443018 389417631 /nfs/dbraw/zinc/41/76/31/389417631.db2.gz ASARHZOQFJPUOH-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000408400991 389346231 /nfs/dbraw/zinc/34/62/31/389346231.db2.gz ZLHPLKPBDXKOBR-VXGBXAGGSA-N 1 2 265.357 0.858 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000408400991 389346234 /nfs/dbraw/zinc/34/62/34/389346234.db2.gz ZLHPLKPBDXKOBR-VXGBXAGGSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000408465009 389355702 /nfs/dbraw/zinc/35/57/02/389355702.db2.gz HOHVHFQNJHXZHV-GMXVVIOVSA-N 1 2 265.382 0.985 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000408465009 389355704 /nfs/dbraw/zinc/35/57/04/389355704.db2.gz HOHVHFQNJHXZHV-GMXVVIOVSA-N 1 2 265.382 0.985 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C#N)C1 ZINC000408467814 389357267 /nfs/dbraw/zinc/35/72/67/389357267.db2.gz MFBLCGZLLYNUSH-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C#N)C1 ZINC000408467814 389357268 /nfs/dbraw/zinc/35/72/68/389357268.db2.gz MFBLCGZLLYNUSH-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n1 ZINC000348095413 389365248 /nfs/dbraw/zinc/36/52/48/389365248.db2.gz LOFXASGJORSVDS-RKDXNWHRSA-N 1 2 265.317 0.789 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373401791 389479305 /nfs/dbraw/zinc/47/93/05/389479305.db2.gz BUUZCELORVKQJU-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373401791 389479308 /nfs/dbraw/zinc/47/93/08/389479308.db2.gz BUUZCELORVKQJU-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nncn1C ZINC000274145152 389489748 /nfs/dbraw/zinc/48/97/48/389489748.db2.gz ZVPTXDFGSVETOU-JTQLQIEISA-N 1 2 284.323 0.976 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000349782061 389434385 /nfs/dbraw/zinc/43/43/85/389434385.db2.gz IATMMGITWPMBAH-UHFFFAOYSA-N 1 2 282.350 0.832 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccccc1C#N ZINC000349805887 389438323 /nfs/dbraw/zinc/43/83/23/389438323.db2.gz XWXZLBKRMZAVBR-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000271164675 389438725 /nfs/dbraw/zinc/43/87/25/389438725.db2.gz AVCXQRAXCKQVKK-UHFFFAOYSA-N 1 2 276.340 0.533 20 30 CCEDLO C#CCC[NH+]1CCN(c2ncnc(N)c2Cl)CC1 ZINC000277657944 389557641 /nfs/dbraw/zinc/55/76/41/389557641.db2.gz YXQSATHVANDYSN-UHFFFAOYSA-N 1 2 265.748 0.858 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@]2(C)CCC)C1=O ZINC000281464915 389617632 /nfs/dbraw/zinc/61/76/32/389617632.db2.gz VPBMURXJQBNFJO-WFASDCNBSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@]2(C)CCC)C1=O ZINC000281464915 389617635 /nfs/dbraw/zinc/61/76/35/389617635.db2.gz VPBMURXJQBNFJO-WFASDCNBSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cc(C#N)n(C)c2)nn1 ZINC000424167931 389620574 /nfs/dbraw/zinc/62/05/74/389620574.db2.gz DUKDHJWIJAYGOW-UHFFFAOYSA-N 1 2 256.313 0.964 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)C1=O ZINC000281955936 389638706 /nfs/dbraw/zinc/63/87/06/389638706.db2.gz JYBOWUQMKJQDQU-XQQFMLRXSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)C1=O ZINC000281955936 389638708 /nfs/dbraw/zinc/63/87/08/389638708.db2.gz JYBOWUQMKJQDQU-XQQFMLRXSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)C1=O ZINC000281955922 389638745 /nfs/dbraw/zinc/63/87/45/389638745.db2.gz JYBOWUQMKJQDQU-UPJWGTAASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)C1=O ZINC000281955922 389638747 /nfs/dbraw/zinc/63/87/47/389638747.db2.gz JYBOWUQMKJQDQU-UPJWGTAASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCOCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969753 389586948 /nfs/dbraw/zinc/58/69/48/389586948.db2.gz WBPIWMZIJDNRFS-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000281144769 389608762 /nfs/dbraw/zinc/60/87/62/389608762.db2.gz ZMBPYHGJJWLVMS-NSHDSACASA-N 1 2 290.367 0.312 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000281144769 389608766 /nfs/dbraw/zinc/60/87/66/389608766.db2.gz ZMBPYHGJJWLVMS-NSHDSACASA-N 1 2 290.367 0.312 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000282231749 389659234 /nfs/dbraw/zinc/65/92/34/389659234.db2.gz FNEDZTSOMDLZOF-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000282231749 389659237 /nfs/dbraw/zinc/65/92/37/389659237.db2.gz FNEDZTSOMDLZOF-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429577679 389761077 /nfs/dbraw/zinc/76/10/77/389761077.db2.gz QHFCNDOKZLSNEZ-PSVSLLHZSA-N 1 2 258.387 0.520 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429577679 389761079 /nfs/dbraw/zinc/76/10/79/389761079.db2.gz QHFCNDOKZLSNEZ-PSVSLLHZSA-N 1 2 258.387 0.520 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416655818 389763761 /nfs/dbraw/zinc/76/37/61/389763761.db2.gz DOTYMIFAXJOXPH-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416655818 389763762 /nfs/dbraw/zinc/76/37/62/389763762.db2.gz DOTYMIFAXJOXPH-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399921018 389794723 /nfs/dbraw/zinc/79/47/23/389794723.db2.gz LIBHIVCRAOBGLV-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399921018 389794726 /nfs/dbraw/zinc/79/47/26/389794726.db2.gz LIBHIVCRAOBGLV-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000416415423 389740512 /nfs/dbraw/zinc/74/05/12/389740512.db2.gz UBPSAALKFAVMAP-IJLUTSLNSA-N 1 2 289.401 0.005 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000416415423 389740513 /nfs/dbraw/zinc/74/05/13/389740513.db2.gz UBPSAALKFAVMAP-IJLUTSLNSA-N 1 2 289.401 0.005 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)C1=O ZINC000352362108 389797757 /nfs/dbraw/zinc/79/77/57/389797757.db2.gz NMWPCGSEAUHMPD-HIFRSBDPSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)C1=O ZINC000352362108 389797758 /nfs/dbraw/zinc/79/77/58/389797758.db2.gz NMWPCGSEAUHMPD-HIFRSBDPSA-N 1 2 280.368 0.655 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000352096533 389751632 /nfs/dbraw/zinc/75/16/32/389751632.db2.gz HIYFHEOJZOVFSC-LBPRGKRZSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000352096533 389751636 /nfs/dbraw/zinc/75/16/36/389751636.db2.gz HIYFHEOJZOVFSC-LBPRGKRZSA-N 1 2 291.326 0.687 20 30 CCEDLO COC(=O)[C@](C)(O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405089446 389813485 /nfs/dbraw/zinc/81/34/85/389813485.db2.gz LTUSZXWHTMDMII-CQSZACIVSA-N 1 2 260.293 0.798 20 30 CCEDLO COC(=O)[C@](C)(O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405089446 389813488 /nfs/dbraw/zinc/81/34/88/389813488.db2.gz LTUSZXWHTMDMII-CQSZACIVSA-N 1 2 260.293 0.798 20 30 CCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584049 389988008 /nfs/dbraw/zinc/98/80/08/389988008.db2.gz BEHBJBJRGLNCSM-BXUZGUMPSA-N 1 2 265.357 0.763 20 30 CCEDLO CCC[C@@H](OC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448837285 389991425 /nfs/dbraw/zinc/99/14/25/389991425.db2.gz SGTWVBBWRAOQEO-CQSZACIVSA-N 1 2 297.399 0.876 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cn1C ZINC000471661232 390078789 /nfs/dbraw/zinc/07/87/89/390078789.db2.gz BGAINEMJDYIEMF-SNVBAGLBSA-N 1 2 257.297 0.912 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C)CC1 ZINC000491305357 390111826 /nfs/dbraw/zinc/11/18/26/390111826.db2.gz IQHZBJSKBLYDIY-GFCCVEGCSA-N 1 2 275.356 0.074 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491381895 390112724 /nfs/dbraw/zinc/11/27/24/390112724.db2.gz GVELVXBNQWQUQR-LBPRGKRZSA-N 1 2 287.319 0.498 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491429989 390113380 /nfs/dbraw/zinc/11/33/80/390113380.db2.gz WSTXMOIVNZEXSO-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491429989 390113381 /nfs/dbraw/zinc/11/33/81/390113381.db2.gz WSTXMOIVNZEXSO-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000491556018 390114799 /nfs/dbraw/zinc/11/47/99/390114799.db2.gz VGQGCHXGIHBLER-UHFFFAOYSA-N 1 2 271.320 0.580 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000491556018 390114800 /nfs/dbraw/zinc/11/48/00/390114800.db2.gz VGQGCHXGIHBLER-UHFFFAOYSA-N 1 2 271.320 0.580 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc[nH]c2)c1C#N ZINC000535502943 390144654 /nfs/dbraw/zinc/14/46/54/390144654.db2.gz AVIWPZOMYHRZOG-UHFFFAOYSA-N 1 2 272.312 0.436 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nncn1C ZINC000494780504 390200789 /nfs/dbraw/zinc/20/07/89/390200789.db2.gz BUNZYDFVINPVNL-NSHDSACASA-N 1 2 298.350 0.654 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000579794433 390208558 /nfs/dbraw/zinc/20/85/58/390208558.db2.gz WXDKZCOWZNWUHK-LLVKDONJSA-N 1 2 250.346 0.851 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000579794433 390208560 /nfs/dbraw/zinc/20/85/60/390208560.db2.gz WXDKZCOWZNWUHK-LLVKDONJSA-N 1 2 250.346 0.851 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000583298337 390281351 /nfs/dbraw/zinc/28/13/51/390281351.db2.gz XGBKBMQWNHFLMQ-HNNXBMFYSA-N 1 2 289.335 0.918 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523102 390364166 /nfs/dbraw/zinc/36/41/66/390364166.db2.gz VSFPOZMQGAAJDU-CQSZACIVSA-N 1 2 292.339 0.447 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523102 390364167 /nfs/dbraw/zinc/36/41/67/390364167.db2.gz VSFPOZMQGAAJDU-CQSZACIVSA-N 1 2 292.339 0.447 20 30 CCEDLO Cc1cc(NCCCN2CCOC2=O)c(C#N)c[nH+]1 ZINC000496210187 390319432 /nfs/dbraw/zinc/31/94/32/390319432.db2.gz YAQZWKDGZZVHON-UHFFFAOYSA-N 1 2 260.297 0.938 20 30 CCEDLO Cc1ccc(NC(=O)CC[NH+]2CC(O)(CC#N)C2)nc1 ZINC000584405015 390340908 /nfs/dbraw/zinc/34/09/08/390340908.db2.gz JRNLHOCDFVOORA-UHFFFAOYSA-N 1 2 274.324 0.679 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000645370120 390416557 /nfs/dbraw/zinc/41/65/57/390416557.db2.gz KBHSPCAIEZHSGY-ZDUSSCGKSA-N 1 2 286.335 0.908 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000649183734 390513776 /nfs/dbraw/zinc/51/37/76/390513776.db2.gz ZCVHCXLXUQTPIL-DZGCQCFKSA-N 1 2 294.395 0.520 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000649183734 390513779 /nfs/dbraw/zinc/51/37/79/390513779.db2.gz ZCVHCXLXUQTPIL-DZGCQCFKSA-N 1 2 294.395 0.520 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000514693268 390468764 /nfs/dbraw/zinc/46/87/64/390468764.db2.gz NJIYCTAJIOJBGG-CYBMUJFWSA-N 1 2 289.379 0.925 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000514693268 390468767 /nfs/dbraw/zinc/46/87/67/390468767.db2.gz NJIYCTAJIOJBGG-CYBMUJFWSA-N 1 2 289.379 0.925 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CCC1 ZINC000561844118 390487680 /nfs/dbraw/zinc/48/76/80/390487680.db2.gz CNOCZSPBMQSYGF-NEPJUHHUSA-N 1 2 263.341 0.802 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CCC1 ZINC000561844118 390487686 /nfs/dbraw/zinc/48/76/86/390487686.db2.gz CNOCZSPBMQSYGF-NEPJUHHUSA-N 1 2 263.341 0.802 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000649228600 390531354 /nfs/dbraw/zinc/53/13/54/390531354.db2.gz GCXSMUKBCHHGIX-CYBMUJFWSA-N 1 2 267.373 0.757 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C#N)CC1 ZINC000519859675 390554196 /nfs/dbraw/zinc/55/41/96/390554196.db2.gz ZFVBEJVMYVCSQV-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000566833040 390651392 /nfs/dbraw/zinc/65/13/92/390651392.db2.gz LHXNJARGZNEPNP-GFCCVEGCSA-N 1 2 287.367 0.552 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1C(N)=O ZINC000566318529 390596608 /nfs/dbraw/zinc/59/66/08/390596608.db2.gz KWMVQCFKZPKQHG-NSHDSACASA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C(N)=O ZINC000566318529 390596611 /nfs/dbraw/zinc/59/66/11/390596611.db2.gz KWMVQCFKZPKQHG-NSHDSACASA-N 1 2 277.324 0.371 20 30 CCEDLO N#Cc1cc(F)ccc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000571294853 390730002 /nfs/dbraw/zinc/73/00/02/390730002.db2.gz HIMQEWWQYCLTBF-ZDUSSCGKSA-N 1 2 263.272 0.431 20 30 CCEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000526057952 390674228 /nfs/dbraw/zinc/67/42/28/390674228.db2.gz FWXRNRNFYFLPEC-BDAKNGLRSA-N 1 2 277.328 0.980 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528613732 390761827 /nfs/dbraw/zinc/76/18/27/390761827.db2.gz WLKCOIUSYOBKPR-GFCCVEGCSA-N 1 2 288.413 0.423 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000528628785 390764371 /nfs/dbraw/zinc/76/43/71/390764371.db2.gz MCKSEXMWXGXOKN-WDEREUQCSA-N 1 2 254.334 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000528628785 390764373 /nfs/dbraw/zinc/76/43/73/390764373.db2.gz MCKSEXMWXGXOKN-WDEREUQCSA-N 1 2 254.334 0.308 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528447208 390745492 /nfs/dbraw/zinc/74/54/92/390745492.db2.gz XTXSBCXNMCISOL-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528447208 390745493 /nfs/dbraw/zinc/74/54/93/390745493.db2.gz XTXSBCXNMCISOL-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000528456527 390745896 /nfs/dbraw/zinc/74/58/96/390745896.db2.gz NDHVCTHZBBPUPU-QWHCGFSZSA-N 1 2 278.352 0.721 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000528456527 390745898 /nfs/dbraw/zinc/74/58/98/390745898.db2.gz NDHVCTHZBBPUPU-QWHCGFSZSA-N 1 2 278.352 0.721 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000578509369 390888260 /nfs/dbraw/zinc/88/82/60/390888260.db2.gz DQLRJTVLPIBSIX-LLVKDONJSA-N 1 2 296.334 0.184 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000578509369 390888263 /nfs/dbraw/zinc/88/82/63/390888263.db2.gz DQLRJTVLPIBSIX-LLVKDONJSA-N 1 2 296.334 0.184 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246425106 533502239 /nfs/dbraw/zinc/50/22/39/533502239.db2.gz CFPPOKNVFVBZQZ-STQMWFEESA-N 1 2 294.399 0.509 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246425106 533502242 /nfs/dbraw/zinc/50/22/42/533502242.db2.gz CFPPOKNVFVBZQZ-STQMWFEESA-N 1 2 294.399 0.509 20 30 CCEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1C#N ZINC000449770057 533564153 /nfs/dbraw/zinc/56/41/53/533564153.db2.gz IJJZZXQANBOEBE-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cc1C#N ZINC000449770057 533564156 /nfs/dbraw/zinc/56/41/56/533564156.db2.gz IJJZZXQANBOEBE-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c[nH+]1 ZINC000330461816 397451958 /nfs/dbraw/zinc/45/19/58/397451958.db2.gz SOKQRHFNNLOIOH-QMMMGPOBSA-N 1 2 266.301 0.270 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651723893 411922641 /nfs/dbraw/zinc/92/26/41/411922641.db2.gz DMTDQSIRYSSXEK-NSHDSACASA-N 1 2 263.341 0.815 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)[C@]2(CO)CCOC2)nn1 ZINC000653611666 412324895 /nfs/dbraw/zinc/32/48/95/412324895.db2.gz HXHCXGKDEQUYRZ-ZDUSSCGKSA-N 1 2 266.345 0.437 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)[C@]2(CO)CCOC2)nn1 ZINC000653611666 412324896 /nfs/dbraw/zinc/32/48/96/412324896.db2.gz HXHCXGKDEQUYRZ-ZDUSSCGKSA-N 1 2 266.345 0.437 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)nn1 ZINC000653699689 412337272 /nfs/dbraw/zinc/33/72/72/412337272.db2.gz DDBFLBUAVRWHLK-CYBMUJFWSA-N 1 2 277.372 0.907 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)nn1 ZINC000653699689 412337274 /nfs/dbraw/zinc/33/72/74/412337274.db2.gz DDBFLBUAVRWHLK-CYBMUJFWSA-N 1 2 277.372 0.907 20 30 CCEDLO CCCC[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000284966922 196166822 /nfs/dbraw/zinc/16/68/22/196166822.db2.gz CTYHCLDYRNZMNA-SNVBAGLBSA-N 1 2 265.317 0.471 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)no2)C1=O ZINC000660467198 414344356 /nfs/dbraw/zinc/34/43/56/414344356.db2.gz LGFYLTJGOMRCBE-LLVKDONJSA-N 1 2 265.313 0.902 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)no2)C1=O ZINC000660467198 414344365 /nfs/dbraw/zinc/34/43/65/414344365.db2.gz LGFYLTJGOMRCBE-LLVKDONJSA-N 1 2 265.313 0.902 20 30 CCEDLO C=CC[N@@H+](Cc1nc(CC(=O)NC)no1)[C@H](C)COC ZINC000661243773 414584067 /nfs/dbraw/zinc/58/40/67/414584067.db2.gz NAJDJDXROQEBSO-SNVBAGLBSA-N 1 2 282.344 0.381 20 30 CCEDLO C=CC[N@H+](Cc1nc(CC(=O)NC)no1)[C@H](C)COC ZINC000661243773 414584071 /nfs/dbraw/zinc/58/40/71/414584071.db2.gz NAJDJDXROQEBSO-SNVBAGLBSA-N 1 2 282.344 0.381 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC000662166723 414695384 /nfs/dbraw/zinc/69/53/84/414695384.db2.gz FIQYRQFXFQHGPT-ZCFIWIBFSA-N 1 2 251.208 0.811 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664606278 415432618 /nfs/dbraw/zinc/43/26/18/415432618.db2.gz UVLPZEACXKWQMR-IJLUTSLNSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000664606278 415432621 /nfs/dbraw/zinc/43/26/21/415432621.db2.gz UVLPZEACXKWQMR-IJLUTSLNSA-N 1 2 278.356 0.643 20 30 CCEDLO C[C@H](CNC(=O)N[C@@]1(C)CCCOC1)[NH+]1CCOCC1 ZINC000329150571 227326733 /nfs/dbraw/zinc/32/67/33/227326733.db2.gz RSGAMRBYDWLQLJ-OCCSQVGLSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000329968577 228001237 /nfs/dbraw/zinc/00/12/37/228001237.db2.gz WSQCNAQZUGLLPG-DRZSPHRISA-N 1 2 293.371 0.410 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cnn(C)c1 ZINC000329968577 228001239 /nfs/dbraw/zinc/00/12/39/228001239.db2.gz WSQCNAQZUGLLPG-DRZSPHRISA-N 1 2 293.371 0.410 20 30 CCEDLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CC[S@@](=O)C1 ZINC000330031545 228022124 /nfs/dbraw/zinc/02/21/24/228022124.db2.gz UDZHOUNSSTVXMH-OVWNDWIMSA-N 1 2 282.369 0.518 20 30 CCEDLO O=C(CN1CSCC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308816 228122168 /nfs/dbraw/zinc/12/21/68/228122168.db2.gz MLMPFUIWQRSNSR-SECBINFHSA-N 1 2 280.353 0.687 20 30 CCEDLO O=C(NCC#CCO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000352171966 228191616 /nfs/dbraw/zinc/19/16/16/228191616.db2.gz PAQFGNJMZIMOTF-UHFFFAOYSA-N 1 2 269.304 0.657 20 30 CCEDLO C[C@H](CNC(=O)N1CCOCC2(CC2)C1)[NH+]1CCOCC1 ZINC000329358441 545022207 /nfs/dbraw/zinc/02/22/07/545022207.db2.gz BKROZFWPMPYEPI-CYBMUJFWSA-N 1 2 297.399 0.734 20 30 CCEDLO CCc1nc(C#N)cc(N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176059 420492936 /nfs/dbraw/zinc/49/29/36/420492936.db2.gz FFYTXQZCHARVKG-LBPRGKRZSA-N 1 2 291.355 0.016 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363469423 260277754 /nfs/dbraw/zinc/27/77/54/260277754.db2.gz BTDDOAZCRYDOSB-UONOGXRCSA-N 1 2 290.367 0.896 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363469423 260277757 /nfs/dbraw/zinc/27/77/57/260277757.db2.gz BTDDOAZCRYDOSB-UONOGXRCSA-N 1 2 290.367 0.896 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CC#N)CC2)S1 ZINC000153895206 261084622 /nfs/dbraw/zinc/08/46/22/261084622.db2.gz YDDNOGLBLYVRRP-VIFPVBQESA-N 1 2 252.343 0.536 20 30 CCEDLO COCC[N@H+](CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000161620145 261099920 /nfs/dbraw/zinc/09/99/20/261099920.db2.gz MBVPVVXSWMCANJ-NSHDSACASA-N 1 2 260.359 0.426 20 30 CCEDLO COCC[N@@H+](CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000161620145 261099921 /nfs/dbraw/zinc/09/99/21/261099921.db2.gz MBVPVVXSWMCANJ-NSHDSACASA-N 1 2 260.359 0.426 20 30 CCEDLO CCN(CC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000155348208 261101115 /nfs/dbraw/zinc/10/11/15/261101115.db2.gz FEYKGHDFFWBLIX-UHFFFAOYSA-N 1 2 287.367 0.576 20 30 CCEDLO CN1CC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000158157566 261159925 /nfs/dbraw/zinc/15/99/25/261159925.db2.gz BQZCHZVTKFUYMS-GFCCVEGCSA-N 1 2 275.308 0.489 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000490761914 261202791 /nfs/dbraw/zinc/20/27/91/261202791.db2.gz YBBARYJLXKDLST-UHFFFAOYSA-N 1 2 276.311 0.982 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000249894274 261261120 /nfs/dbraw/zinc/26/11/20/261261120.db2.gz REGXOZTZORDHNW-NWDGAFQWSA-N 1 2 294.399 0.580 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000249894274 261261122 /nfs/dbraw/zinc/26/11/22/261261122.db2.gz REGXOZTZORDHNW-NWDGAFQWSA-N 1 2 294.399 0.580 20 30 CCEDLO C#CC[N@@H+](CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000490986237 261280487 /nfs/dbraw/zinc/28/04/87/261280487.db2.gz QQMDKQYIISVEGF-NSHDSACASA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@H+](CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000490986237 261280489 /nfs/dbraw/zinc/28/04/89/261280489.db2.gz QQMDKQYIISVEGF-NSHDSACASA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(C)cc(C(=O)OC)n2)CC1 ZINC000491095063 261324096 /nfs/dbraw/zinc/32/40/96/261324096.db2.gz JHJTVJZGSXHNAI-UHFFFAOYSA-N 1 2 274.324 0.327 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000491119907 261336647 /nfs/dbraw/zinc/33/66/47/261336647.db2.gz KQCDBRZOYIAJKR-GFCCVEGCSA-N 1 2 290.342 0.481 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000491461357 261609179 /nfs/dbraw/zinc/60/91/79/261609179.db2.gz DBRYWGKROJGOIE-CQSZACIVSA-N 1 2 286.379 0.684 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000491494495 261640209 /nfs/dbraw/zinc/64/02/09/261640209.db2.gz CYCULSPWEDQACZ-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC000497241279 262121129 /nfs/dbraw/zinc/12/11/29/262121129.db2.gz BPNAFGADHROPCS-QWRGUYRKSA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCC#N ZINC000497241279 262121132 /nfs/dbraw/zinc/12/11/32/262121132.db2.gz BPNAFGADHROPCS-QWRGUYRKSA-N 1 2 296.371 0.614 20 30 CCEDLO COCc1ccc(CNC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000275469980 263033318 /nfs/dbraw/zinc/03/33/18/263033318.db2.gz LLTZJICSYRTHJR-UHFFFAOYSA-N 1 2 295.339 0.120 20 30 CCEDLO COc1ccc(CN(C)C(=O)CO[NH+]=C(N)CCO)cc1 ZINC000275552459 263033643 /nfs/dbraw/zinc/03/36/43/263033643.db2.gz VFGDQBNBHQOVQJ-UHFFFAOYSA-N 1 2 295.339 0.325 20 30 CCEDLO CC[C@H](CC#N)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280891471 263064870 /nfs/dbraw/zinc/06/48/70/263064870.db2.gz DCLCUMSVXBFKRB-ZYHUDNBSSA-N 1 2 263.345 0.831 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OC[C@H]2CNC(=O)O2)cs1 ZINC000282274474 263075610 /nfs/dbraw/zinc/07/56/10/263075610.db2.gz OZHQPQFDXREMOH-MRVPVSSYSA-N 1 2 270.314 0.391 20 30 CCEDLO CCCc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000284399332 263086587 /nfs/dbraw/zinc/08/65/87/263086587.db2.gz MYZSBFYYCPJEET-QMMMGPOBSA-N 1 2 254.290 0.990 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000121534986 263293843 /nfs/dbraw/zinc/29/38/43/263293843.db2.gz CFBDDFNMWWAILA-UHFFFAOYSA-N 1 2 294.355 0.075 20 30 CCEDLO C=CC[N@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000121534986 263293845 /nfs/dbraw/zinc/29/38/45/263293845.db2.gz CFBDDFNMWWAILA-UHFFFAOYSA-N 1 2 294.355 0.075 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425294534 263302177 /nfs/dbraw/zinc/30/21/77/263302177.db2.gz NLEQNRVKXHMPAL-CHWSQXEVSA-N 1 2 270.373 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC000960506262 649855056 /nfs/dbraw/zinc/85/50/56/649855056.db2.gz YOWFTCHUXKCTTA-AAEUAGOBSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC000960506262 649855057 /nfs/dbraw/zinc/85/50/57/649855057.db2.gz YOWFTCHUXKCTTA-AAEUAGOBSA-N 1 2 290.371 0.398 20 30 CCEDLO C=C(C)CS(=O)(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416618912 263740740 /nfs/dbraw/zinc/74/07/40/263740740.db2.gz WVKJADQHCLIELU-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO CC(C)(C)[C@@H](O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000330702957 264018044 /nfs/dbraw/zinc/01/80/44/264018044.db2.gz IRXLOJAHGJDFBV-NSHDSACASA-N 1 2 273.377 0.229 20 30 CCEDLO CCc1noc(C)c1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330768631 264032953 /nfs/dbraw/zinc/03/29/53/264032953.db2.gz SQODSWPFBQVLSY-NSHDSACASA-N 1 2 297.355 0.543 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773769 264034689 /nfs/dbraw/zinc/03/46/89/264034689.db2.gz FXURFKUUKWSLSM-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773769 264034691 /nfs/dbraw/zinc/03/46/91/264034691.db2.gz FXURFKUUKWSLSM-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330739530 264038138 /nfs/dbraw/zinc/03/81/38/264038138.db2.gz OKRZASJASNAPGQ-LLVKDONJSA-N 1 2 269.345 0.559 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330739530 264038140 /nfs/dbraw/zinc/03/81/40/264038140.db2.gz OKRZASJASNAPGQ-LLVKDONJSA-N 1 2 269.345 0.559 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330868158 264058018 /nfs/dbraw/zinc/05/80/18/264058018.db2.gz PDRDFYCKLYSRMN-HNNXBMFYSA-N 1 2 292.383 0.391 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000330937631 264081891 /nfs/dbraw/zinc/08/18/91/264081891.db2.gz ATQPMCVFNKTJPU-LLVKDONJSA-N 1 2 294.355 0.446 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000330937631 264081892 /nfs/dbraw/zinc/08/18/92/264081892.db2.gz ATQPMCVFNKTJPU-LLVKDONJSA-N 1 2 294.355 0.446 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000343275833 264311682 /nfs/dbraw/zinc/31/16/82/264311682.db2.gz AZUKKHIZHKPJLB-GFCCVEGCSA-N 1 2 251.374 0.705 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000076802420 264344075 /nfs/dbraw/zinc/34/40/75/264344075.db2.gz BYBOXHDTXSWZPL-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000076802420 264344076 /nfs/dbraw/zinc/34/40/76/264344076.db2.gz BYBOXHDTXSWZPL-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000367241940 266162932 /nfs/dbraw/zinc/16/29/32/266162932.db2.gz UTBGWPRYGUPDQT-AWEZNQCLSA-N 1 2 260.337 0.192 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000356834231 266183691 /nfs/dbraw/zinc/18/36/91/266183691.db2.gz KSCUXAMORIOMFP-AAEUAGOBSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000356834231 266183693 /nfs/dbraw/zinc/18/36/93/266183693.db2.gz KSCUXAMORIOMFP-AAEUAGOBSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000356850309 266188726 /nfs/dbraw/zinc/18/87/26/266188726.db2.gz QRODHXIETWJGDQ-SNVBAGLBSA-N 1 2 258.281 0.544 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357807357 266369492 /nfs/dbraw/zinc/36/94/92/266369492.db2.gz LPEMOLZRZOISPY-VXGBXAGGSA-N 1 2 273.340 0.669 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357807357 266369495 /nfs/dbraw/zinc/36/94/95/266369495.db2.gz LPEMOLZRZOISPY-VXGBXAGGSA-N 1 2 273.340 0.669 20 30 CCEDLO C=C(Br)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000368519221 267179455 /nfs/dbraw/zinc/17/94/55/267179455.db2.gz PVWUZOGAGMUIKX-UHFFFAOYSA-N 1 2 297.218 0.909 20 30 CCEDLO Cc1cc(NCCCc2nncn2C)c(C#N)c[nH+]1 ZINC000399391039 267299773 /nfs/dbraw/zinc/29/97/73/267299773.db2.gz NPSYWKVTCCWINQ-UHFFFAOYSA-N 1 2 256.313 0.857 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CO[C@H](C)C2)c1C#N ZINC000527135245 267348150 /nfs/dbraw/zinc/34/81/50/267348150.db2.gz UDMVRLSJLROIBE-ZJUUUORDSA-N 1 2 291.355 0.219 20 30 CCEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)NCC#N ZINC000120123241 267385538 /nfs/dbraw/zinc/38/55/38/267385538.db2.gz VPDQFINXILBKHX-UHFFFAOYSA-N 1 2 254.721 0.750 20 30 CCEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)NCC#N ZINC000120123241 267385542 /nfs/dbraw/zinc/38/55/42/267385542.db2.gz VPDQFINXILBKHX-UHFFFAOYSA-N 1 2 254.721 0.750 20 30 CCEDLO CNC(=O)CCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356111891 290379879 /nfs/dbraw/zinc/37/98/79/290379879.db2.gz OETKAVXGCRLCBD-UHFFFAOYSA-N 1 2 252.343 0.973 20 30 CCEDLO CNC(=O)CCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356111891 290379881 /nfs/dbraw/zinc/37/98/81/290379881.db2.gz OETKAVXGCRLCBD-UHFFFAOYSA-N 1 2 252.343 0.973 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491255023 327734551 /nfs/dbraw/zinc/73/45/51/327734551.db2.gz UZXKWWROUOZFHK-JTQLQIEISA-N 1 2 255.281 0.756 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451182063 328113196 /nfs/dbraw/zinc/11/31/96/328113196.db2.gz GOINQFOWWHHHNE-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451182063 328113197 /nfs/dbraw/zinc/11/31/97/328113197.db2.gz GOINQFOWWHHHNE-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)CC#N)ccc2[nH+]1 ZINC000275819002 328216595 /nfs/dbraw/zinc/21/65/95/328216595.db2.gz FMJMHOOZBTUHGD-VIFPVBQESA-N 1 2 285.307 1.000 20 30 CCEDLO COc1ccccc1N1CC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000275534031 328215107 /nfs/dbraw/zinc/21/51/07/328215107.db2.gz QYPKFQPGTGVBLG-GFCCVEGCSA-N 1 2 293.323 0.472 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](C(C)C)CC2=O)CC1 ZINC000113239358 328456645 /nfs/dbraw/zinc/45/66/45/328456645.db2.gz IUNVITVRLCOBIP-AWEZNQCLSA-N 1 2 263.385 0.699 20 30 CCEDLO CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1CCCC1=O ZINC000577378414 327259469 /nfs/dbraw/zinc/25/94/69/327259469.db2.gz UNJFNYKUVHJRHI-SMDDNHRTSA-N 1 2 280.372 0.347 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCN(C)C2=O)cc1 ZINC000116267474 327306180 /nfs/dbraw/zinc/30/61/80/327306180.db2.gz YHCXKXKLKXZKHR-NSHDSACASA-N 1 2 263.297 0.563 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(C2CC2)no1 ZINC000123535389 327375785 /nfs/dbraw/zinc/37/57/85/327375785.db2.gz YEPIANAUFJYJNP-UHFFFAOYSA-N 1 2 281.316 0.068 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000171402094 329075377 /nfs/dbraw/zinc/07/53/77/329075377.db2.gz MZUGVJCCBBABBF-IUODEOHRSA-N 1 2 294.399 0.641 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000171402094 329075378 /nfs/dbraw/zinc/07/53/78/329075378.db2.gz MZUGVJCCBBABBF-IUODEOHRSA-N 1 2 294.399 0.641 20 30 CCEDLO COCCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000177029338 329178440 /nfs/dbraw/zinc/17/84/40/329178440.db2.gz XKVWDSIUAGVQDJ-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO COCCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000177029338 329178441 /nfs/dbraw/zinc/17/84/41/329178441.db2.gz XKVWDSIUAGVQDJ-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185209999 329268804 /nfs/dbraw/zinc/26/88/04/329268804.db2.gz ZCZVNOOCOKNUDB-HUUCEWRRSA-N 1 2 295.383 0.532 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185209999 329268805 /nfs/dbraw/zinc/26/88/05/329268805.db2.gz ZCZVNOOCOKNUDB-HUUCEWRRSA-N 1 2 295.383 0.532 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000185915623 329332625 /nfs/dbraw/zinc/33/26/25/329332625.db2.gz LLAIDYFFHVOTPR-OLZOCXBDSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000420001171 329751835 /nfs/dbraw/zinc/75/18/35/329751835.db2.gz PLVHRVJBDVIEFL-AGIUHOORSA-N 1 2 295.383 0.982 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000079955486 330072398 /nfs/dbraw/zinc/07/23/98/330072398.db2.gz HWZQCLPZYREGSE-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000079955486 330072400 /nfs/dbraw/zinc/07/24/00/330072400.db2.gz HWZQCLPZYREGSE-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO C#CC[N@@H+](CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000117339318 330364617 /nfs/dbraw/zinc/36/46/17/330364617.db2.gz MNUOWVHYJRDOBM-LLVKDONJSA-N 1 2 273.354 0.062 20 30 CCEDLO C#CC[N@H+](CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000117339318 330364618 /nfs/dbraw/zinc/36/46/18/330364618.db2.gz MNUOWVHYJRDOBM-LLVKDONJSA-N 1 2 273.354 0.062 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007296 330389850 /nfs/dbraw/zinc/38/98/50/330389850.db2.gz PGQWCFZWRLVRKZ-AWEZNQCLSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007296 330389851 /nfs/dbraw/zinc/38/98/51/330389851.db2.gz PGQWCFZWRLVRKZ-AWEZNQCLSA-N 1 2 290.367 0.753 20 30 CCEDLO C=CCOCC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433102926 330617422 /nfs/dbraw/zinc/61/74/22/330617422.db2.gz JZAIIXNDNZPDBK-GFCCVEGCSA-N 1 2 278.356 0.818 20 30 CCEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CC1)[NH+]1CCSCC1 ZINC000152390919 330632507 /nfs/dbraw/zinc/63/25/07/330632507.db2.gz BCWVKGKJOUDRMD-ONGXEEELSA-N 1 2 253.371 0.842 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163809214 331116321 /nfs/dbraw/zinc/11/63/21/331116321.db2.gz NEUIUMWFSRTLNT-ZDUSSCGKSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163809214 331116322 /nfs/dbraw/zinc/11/63/22/331116322.db2.gz NEUIUMWFSRTLNT-ZDUSSCGKSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000458314073 331248183 /nfs/dbraw/zinc/24/81/83/331248183.db2.gz OPPHSZCGTIXYJG-MELADBBJSA-N 1 2 299.415 0.722 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458314074 331248239 /nfs/dbraw/zinc/24/82/39/331248239.db2.gz OPPHSZCGTIXYJG-MGPQQGTHSA-N 1 2 299.415 0.722 20 30 CCEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000458984842 331263940 /nfs/dbraw/zinc/26/39/40/331263940.db2.gz HAPBGYKRWCVUNY-CYBMUJFWSA-N 1 2 299.415 0.533 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000489656991 332063336 /nfs/dbraw/zinc/06/33/36/332063336.db2.gz PHWKJTYIUJQBDN-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000489656991 332063338 /nfs/dbraw/zinc/06/33/38/332063338.db2.gz PHWKJTYIUJQBDN-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)C(=O)OC)CC1 ZINC000491047244 332143113 /nfs/dbraw/zinc/14/31/13/332143113.db2.gz UDNCNLLTEYARDZ-NSHDSACASA-N 1 2 284.381 0.059 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000491284973 332180772 /nfs/dbraw/zinc/18/07/72/332180772.db2.gz AUAMBJDPMUKDOP-LBPRGKRZSA-N 1 2 299.330 0.888 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000491284973 332180773 /nfs/dbraw/zinc/18/07/73/332180773.db2.gz AUAMBJDPMUKDOP-LBPRGKRZSA-N 1 2 299.330 0.888 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)OC)CC2)C1=O ZINC000491301595 332185296 /nfs/dbraw/zinc/18/52/96/332185296.db2.gz GHZSKFYRPBHKCU-NSHDSACASA-N 1 2 267.329 0.157 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCCCC1 ZINC000491462026 332215962 /nfs/dbraw/zinc/21/59/62/332215962.db2.gz GJSOQRGUVQIPQX-CYBMUJFWSA-N 1 2 250.342 0.723 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000491462026 332215963 /nfs/dbraw/zinc/21/59/63/332215963.db2.gz GJSOQRGUVQIPQX-CYBMUJFWSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000491619120 332245388 /nfs/dbraw/zinc/24/53/88/332245388.db2.gz DPMKUPBMMWVIOP-UHFFFAOYSA-N 1 2 291.351 0.757 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000491667644 332275888 /nfs/dbraw/zinc/27/58/88/332275888.db2.gz VICHSDHKCQNJIB-UHFFFAOYSA-N 1 2 278.381 0.808 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000491696043 332291550 /nfs/dbraw/zinc/29/15/50/332291550.db2.gz ILJMOPDJAFUTMA-DGCLKSJQSA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000491696043 332291552 /nfs/dbraw/zinc/29/15/52/332291552.db2.gz ILJMOPDJAFUTMA-DGCLKSJQSA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCn1ccc(C[NH+](CCOC)CCOC)n1 ZINC000491699843 332294640 /nfs/dbraw/zinc/29/46/40/332294640.db2.gz VBDNQWJNGZAHCV-UHFFFAOYSA-N 1 2 251.330 0.611 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701308 332295776 /nfs/dbraw/zinc/29/57/76/332295776.db2.gz FWZNAEASYRIJTK-NWDGAFQWSA-N 1 2 265.309 0.556 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701308 332295777 /nfs/dbraw/zinc/29/57/77/332295777.db2.gz FWZNAEASYRIJTK-NWDGAFQWSA-N 1 2 265.309 0.556 20 30 CCEDLO C#CCNC(=O)CC[NH2+]Cc1nn(C)cc1Br ZINC000491731844 332313381 /nfs/dbraw/zinc/31/33/81/332313381.db2.gz BEHIEUCJMRCPQT-UHFFFAOYSA-N 1 2 299.172 0.412 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCCCF)CC1 ZINC000491772776 332338985 /nfs/dbraw/zinc/33/89/85/332338985.db2.gz UWMKJQKSMQSZAD-UHFFFAOYSA-N 1 2 299.346 0.240 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCCCF)CC1 ZINC000491772776 332338987 /nfs/dbraw/zinc/33/89/87/332338987.db2.gz UWMKJQKSMQSZAD-UHFFFAOYSA-N 1 2 299.346 0.240 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000491776582 332342049 /nfs/dbraw/zinc/34/20/49/332342049.db2.gz YJXYSZCQBYBBEQ-SNVBAGLBSA-N 1 2 265.313 0.344 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000491776582 332342051 /nfs/dbraw/zinc/34/20/51/332342051.db2.gz YJXYSZCQBYBBEQ-SNVBAGLBSA-N 1 2 265.313 0.344 20 30 CCEDLO C#C[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)C ZINC000491784562 332347798 /nfs/dbraw/zinc/34/77/98/332347798.db2.gz QYCLGCIQKCIIMT-ZDUSSCGKSA-N 1 2 289.383 0.895 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000491821347 332370731 /nfs/dbraw/zinc/37/07/31/332370731.db2.gz VQIXKNDVUCPTMP-LSDHHAIUSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000491821347 332370732 /nfs/dbraw/zinc/37/07/32/332370732.db2.gz VQIXKNDVUCPTMP-LSDHHAIUSA-N 1 2 291.395 0.017 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@@H](C#N)C1 ZINC000492298756 332391227 /nfs/dbraw/zinc/39/12/27/332391227.db2.gz LDUQMIALMKAOBP-BYCRGOAPSA-N 1 2 260.297 0.667 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000516980037 333088794 /nfs/dbraw/zinc/08/87/94/333088794.db2.gz VCEBCSCLHNVLMT-HUUCEWRRSA-N 1 2 290.367 0.149 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000516980037 333088796 /nfs/dbraw/zinc/08/87/96/333088796.db2.gz VCEBCSCLHNVLMT-HUUCEWRRSA-N 1 2 290.367 0.149 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007923607 333103497 /nfs/dbraw/zinc/10/34/97/333103497.db2.gz PGVSTIXDLYFCHK-AWEZNQCLSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007923607 333103498 /nfs/dbraw/zinc/10/34/98/333103498.db2.gz PGVSTIXDLYFCHK-AWEZNQCLSA-N 1 2 282.388 0.497 20 30 CCEDLO Cc1c([C@H]2[C@H]([NH2+]CC3(C#N)CC3)CC(=O)N2C)cnn1C ZINC000548336681 334151326 /nfs/dbraw/zinc/15/13/26/334151326.db2.gz GAOBWUXBWLXTSG-OCCSQVGLSA-N 1 2 287.367 0.894 20 30 CCEDLO CC(C)(CNC(=O)c1cnccc1C#N)[NH+]1CCOCC1 ZINC000340744772 519266099 /nfs/dbraw/zinc/26/60/99/519266099.db2.gz OXOMIKDZLUPZAC-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC#CCO ZINC000352183087 534677821 /nfs/dbraw/zinc/67/78/21/534677821.db2.gz ZFIJANIHYGVFIW-UHFFFAOYSA-N 1 2 271.320 0.847 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330245020 534690485 /nfs/dbraw/zinc/69/04/85/534690485.db2.gz KMXYMBOYHRZUGS-KBPBESRZSA-N 1 2 290.367 0.819 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330245020 534690488 /nfs/dbraw/zinc/69/04/88/534690488.db2.gz KMXYMBOYHRZUGS-KBPBESRZSA-N 1 2 290.367 0.819 20 30 CCEDLO COCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000160621808 523617488 /nfs/dbraw/zinc/61/74/88/523617488.db2.gz FZXWDXTZGXTXHN-UHFFFAOYSA-N 1 2 282.365 0.910 20 30 CCEDLO COCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000160621808 523617483 /nfs/dbraw/zinc/61/74/83/523617483.db2.gz FZXWDXTZGXTXHN-UHFFFAOYSA-N 1 2 282.365 0.910 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCSC1 ZINC000329968054 534751865 /nfs/dbraw/zinc/75/18/65/534751865.db2.gz WMGMZQKXLHNWOX-NSHDSACASA-N 1 2 285.413 0.860 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330145960 534872520 /nfs/dbraw/zinc/87/25/20/534872520.db2.gz HPXYPBOURUXNOP-NEPJUHHUSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330145960 534872525 /nfs/dbraw/zinc/87/25/25/534872525.db2.gz HPXYPBOURUXNOP-NEPJUHHUSA-N 1 2 277.328 0.345 20 30 CCEDLO C=CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353308041 526584913 /nfs/dbraw/zinc/58/49/13/526584913.db2.gz ADVQYWDJSCQOHQ-LLVKDONJSA-N 1 2 263.345 0.984 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCOCC2)CC1 ZINC000330269321 526624566 /nfs/dbraw/zinc/62/45/66/526624566.db2.gz RWBQJSBOZQUXAM-AWEZNQCLSA-N 1 2 297.399 0.924 20 30 CCEDLO C=CCOCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000354770906 526710121 /nfs/dbraw/zinc/71/01/21/526710121.db2.gz NPNPNBWTXOVQCP-UHFFFAOYSA-N 1 2 291.351 0.737 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354887347 527073301 /nfs/dbraw/zinc/07/33/01/527073301.db2.gz BSAQOXCMKSEXCF-LBPRGKRZSA-N 1 2 268.357 0.954 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354887347 527073304 /nfs/dbraw/zinc/07/33/04/527073304.db2.gz BSAQOXCMKSEXCF-LBPRGKRZSA-N 1 2 268.357 0.954 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCO)CC1 ZINC000353448928 527617447 /nfs/dbraw/zinc/61/74/47/527617447.db2.gz OYLSQZVKSOZNCN-CQSZACIVSA-N 1 2 270.373 0.352 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCNC1=O ZINC000333317312 527903620 /nfs/dbraw/zinc/90/36/20/527903620.db2.gz PAQSZAOXGOAHIK-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCNC1=O ZINC000333317312 527903622 /nfs/dbraw/zinc/90/36/22/527903622.db2.gz PAQSZAOXGOAHIK-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO CCN1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330187944 529107189 /nfs/dbraw/zinc/10/71/89/529107189.db2.gz KTIKHSAYBHMPNK-LLVKDONJSA-N 1 2 291.355 0.276 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676649017 545348096 /nfs/dbraw/zinc/34/80/96/545348096.db2.gz FDLWODQGSHQBLT-SNVBAGLBSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000677048164 545357216 /nfs/dbraw/zinc/35/72/16/545357216.db2.gz OHSKMUKULGAXGF-CHWSQXEVSA-N 1 2 268.357 0.247 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cnn(C)c2C#N)CCO1 ZINC000357162069 536147110 /nfs/dbraw/zinc/14/71/10/536147110.db2.gz UWLDYNKKHUHNOP-NSHDSACASA-N 1 2 291.355 0.132 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cnn(C)c2C#N)CCO1 ZINC000357162069 536147112 /nfs/dbraw/zinc/14/71/12/536147112.db2.gz UWLDYNKKHUHNOP-NSHDSACASA-N 1 2 291.355 0.132 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000372156541 536306251 /nfs/dbraw/zinc/30/62/51/536306251.db2.gz KRUKFRDJFQNMCS-CYBMUJFWSA-N 1 2 279.365 0.682 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000372156541 536306253 /nfs/dbraw/zinc/30/62/53/536306253.db2.gz KRUKFRDJFQNMCS-CYBMUJFWSA-N 1 2 279.365 0.682 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(C#N)CCOCC1 ZINC000782295913 581144592 /nfs/dbraw/zinc/14/45/92/581144592.db2.gz OMDKZVGYSIMMBQ-LBPRGKRZSA-N 1 2 282.340 0.571 20 30 CCEDLO C=CCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000790603507 581191071 /nfs/dbraw/zinc/19/10/71/581191071.db2.gz LYDKEYYQEQPZSX-UHFFFAOYSA-N 1 2 257.403 0.749 20 30 CCEDLO C=CCNC(=S)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788334169 581107295 /nfs/dbraw/zinc/10/72/95/581107295.db2.gz QPZNFYZEOFCUNE-NSHDSACASA-N 1 2 257.403 0.699 20 30 CCEDLO C=CCNC(=O)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000777606200 581123175 /nfs/dbraw/zinc/12/31/75/581123175.db2.gz FBOSMIPMNHYJSM-UHFFFAOYSA-N 1 2 291.355 0.880 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000784325322 581167368 /nfs/dbraw/zinc/16/73/68/581167368.db2.gz GHRPAUPWORDDFD-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790363075 581185455 /nfs/dbraw/zinc/18/54/55/581185455.db2.gz QWUUVPAWBURVPI-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790363075 581185456 /nfs/dbraw/zinc/18/54/56/581185456.db2.gz QWUUVPAWBURVPI-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCCCC(=O)NC)CC1 ZINC000779779671 581204288 /nfs/dbraw/zinc/20/42/88/581204288.db2.gz GWNKPADHFXHGGR-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000791298892 581213425 /nfs/dbraw/zinc/21/34/25/581213425.db2.gz HQXZQQIGPQNNSD-UHFFFAOYSA-N 1 2 290.363 0.758 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000779941853 581214359 /nfs/dbraw/zinc/21/43/59/581214359.db2.gz COSWGWDTGWUERP-AWEZNQCLSA-N 1 2 263.385 0.686 20 30 CCEDLO C#CCCCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000780373205 581226431 /nfs/dbraw/zinc/22/64/31/581226431.db2.gz MJBADXWVMIESGM-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000782278083 581295245 /nfs/dbraw/zinc/29/52/45/581295245.db2.gz SXJMXVVTJZJGFQ-LLVKDONJSA-N 1 2 279.340 0.591 20 30 CCEDLO CCC(Cn1cncn1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000794524830 581374355 /nfs/dbraw/zinc/37/43/55/581374355.db2.gz VUQIBBUCBHDZCW-VXGBXAGGSA-N 1 2 275.360 0.904 20 30 CCEDLO C#CCOCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000784168229 581375141 /nfs/dbraw/zinc/37/51/41/581375141.db2.gz PHFLVTYDCKMRQR-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(C#N)CCC1 ZINC000784919852 581399033 /nfs/dbraw/zinc/39/90/33/581399033.db2.gz AYEPQAGDDAHFGZ-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCC(=O)NC1=O ZINC000796383797 581439030 /nfs/dbraw/zinc/43/90/30/581439030.db2.gz IPWRAJSPRADMNN-ZDUSSCGKSA-N 1 2 292.335 0.955 20 30 CCEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCC(=O)NC1=O ZINC000796383797 581439032 /nfs/dbraw/zinc/43/90/32/581439032.db2.gz IPWRAJSPRADMNN-ZDUSSCGKSA-N 1 2 292.335 0.955 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000796558077 581443817 /nfs/dbraw/zinc/44/38/17/581443817.db2.gz BZRYHGCLCYHDEI-UHFFFAOYSA-N 1 2 250.298 0.132 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000796558077 581443819 /nfs/dbraw/zinc/44/38/19/581443819.db2.gz BZRYHGCLCYHDEI-UHFFFAOYSA-N 1 2 250.298 0.132 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787064594 581457076 /nfs/dbraw/zinc/45/70/76/581457076.db2.gz BTBDCADOIPZKNH-CYBMUJFWSA-N 1 2 255.321 0.931 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000787352277 581468840 /nfs/dbraw/zinc/46/88/40/581468840.db2.gz XYGUKHMZLXPDMK-CYBMUJFWSA-N 1 2 250.342 0.581 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C(=O)OC)o1 ZINC000734130378 581548272 /nfs/dbraw/zinc/54/82/72/581548272.db2.gz FWBIVIGAAUGIFK-LBPRGKRZSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(=O)OC)o1 ZINC000734130378 581548273 /nfs/dbraw/zinc/54/82/73/581548273.db2.gz FWBIVIGAAUGIFK-LBPRGKRZSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000734136069 581548472 /nfs/dbraw/zinc/54/84/72/581548472.db2.gz DUNCAMILILMARN-OLZOCXBDSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000734136069 581548473 /nfs/dbraw/zinc/54/84/73/581548473.db2.gz DUNCAMILILMARN-OLZOCXBDSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000754027024 581571398 /nfs/dbraw/zinc/57/13/98/581571398.db2.gz COVXXFFBPDAMFP-OAHLLOKOSA-N 1 2 272.348 0.679 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767858033 581634189 /nfs/dbraw/zinc/63/41/89/581634189.db2.gz MOXFTASQVLANKD-ZDUSSCGKSA-N 1 2 290.367 0.959 20 30 CCEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(CC#N)CC2)C1(F)F ZINC000787771963 581641975 /nfs/dbraw/zinc/64/19/75/581641975.db2.gz ADEVMJBBOFSJMU-VHSXEESVSA-N 1 2 273.283 0.182 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000768173475 581647126 /nfs/dbraw/zinc/64/71/26/581647126.db2.gz JURMCUGYMQDOIT-LJQANCHMSA-N 1 2 284.425 0.559 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000768898809 581661667 /nfs/dbraw/zinc/66/16/67/581661667.db2.gz GGYNDOZSKWBMJF-HNNXBMFYSA-N 1 2 289.335 0.477 20 30 CCEDLO Cc1ccn(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000768898809 581661669 /nfs/dbraw/zinc/66/16/69/581661669.db2.gz GGYNDOZSKWBMJF-HNNXBMFYSA-N 1 2 289.335 0.477 20 30 CCEDLO COCC#CC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000757652171 581705377 /nfs/dbraw/zinc/70/53/77/581705377.db2.gz PYADZXILFBFSAC-UHFFFAOYSA-N 1 2 261.387 0.781 20 30 CCEDLO COCC#CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000757652171 581705381 /nfs/dbraw/zinc/70/53/81/581705381.db2.gz PYADZXILFBFSAC-UHFFFAOYSA-N 1 2 261.387 0.781 20 30 CCEDLO C=C(C)CNC(=S)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769794664 581706819 /nfs/dbraw/zinc/70/68/19/581706819.db2.gz PYILELQKQUMTMX-QWRGUYRKSA-N 1 2 257.403 0.746 20 30 CCEDLO C=C(C)CNC(=S)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769794664 581706823 /nfs/dbraw/zinc/70/68/23/581706823.db2.gz PYILELQKQUMTMX-QWRGUYRKSA-N 1 2 257.403 0.746 20 30 CCEDLO CC(=O)NCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758197365 581726289 /nfs/dbraw/zinc/72/62/89/581726289.db2.gz IVMLHCZFDVBEOF-UHFFFAOYSA-N 1 2 288.351 0.526 20 30 CCEDLO Cc1ccn(C[N@H+]2CCOC[C@@H](C)C2)c(=O)c1C#N ZINC000758240752 581731342 /nfs/dbraw/zinc/73/13/42/581731342.db2.gz ILTHLCOOKQEVFW-NSHDSACASA-N 1 2 261.325 0.954 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCOC[C@@H](C)C2)c(=O)c1C#N ZINC000758240752 581731345 /nfs/dbraw/zinc/73/13/45/581731345.db2.gz ILTHLCOOKQEVFW-NSHDSACASA-N 1 2 261.325 0.954 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCOCC3(CC3)C2)c1=O ZINC000758249056 581731894 /nfs/dbraw/zinc/73/18/94/581731894.db2.gz OBYHXXJRDMVJOF-UHFFFAOYSA-N 1 2 259.309 0.790 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCOCC3(CC3)C2)c1=O ZINC000758249056 581731898 /nfs/dbraw/zinc/73/18/98/581731898.db2.gz OBYHXXJRDMVJOF-UHFFFAOYSA-N 1 2 259.309 0.790 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000758298505 581735016 /nfs/dbraw/zinc/73/50/16/581735016.db2.gz IKERFCCIMNVKLX-UHFFFAOYSA-N 1 2 279.365 0.411 20 30 CCEDLO C=CC[NH+]1CCC(NC(=O)C[C@@H]2SC(=N)NC2=O)CC1 ZINC000742641689 581789178 /nfs/dbraw/zinc/78/91/78/581789178.db2.gz DFPPWSFDHFMXDK-JTQLQIEISA-N 1 2 296.396 0.309 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000732065595 581799572 /nfs/dbraw/zinc/79/95/72/581799572.db2.gz QRGROHBHUSJONE-ZDUSSCGKSA-N 1 2 296.334 0.903 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000732065595 581799577 /nfs/dbraw/zinc/79/95/77/581799577.db2.gz QRGROHBHUSJONE-ZDUSSCGKSA-N 1 2 296.334 0.903 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(O)CCSCC2)CC1 ZINC000765043883 581801095 /nfs/dbraw/zinc/80/10/95/581801095.db2.gz RUOWCWJLFURQTF-UHFFFAOYSA-N 1 2 268.382 0.022 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cccc(C(=O)OC)n2)CC1 ZINC000733160444 581868728 /nfs/dbraw/zinc/86/87/28/581868728.db2.gz BQDCWASWEGYJOM-UHFFFAOYSA-N 1 2 287.319 0.259 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H]1CCCO1 ZINC000773372642 581924630 /nfs/dbraw/zinc/92/46/30/581924630.db2.gz AVZDOKIBAZXKNB-IHRRRGAJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H]1CCCO1 ZINC000773372642 581924633 /nfs/dbraw/zinc/92/46/33/581924633.db2.gz AVZDOKIBAZXKNB-IHRRRGAJSA-N 1 2 295.383 0.187 20 30 CCEDLO CC(C)C1(O)C[NH+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000773891469 581945771 /nfs/dbraw/zinc/94/57/71/581945771.db2.gz YXALVBQPLMMNNB-LLVKDONJSA-N 1 2 253.346 0.450 20 30 CCEDLO C[NH+]1CCN(N=Cc2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000748132729 581963571 /nfs/dbraw/zinc/96/35/71/581963571.db2.gz ZIFYVYCVANXSQU-UHFFFAOYSA-N 1 2 264.285 0.882 20 30 CCEDLO Cc1[nH]c[nH+]c1C=NNCC(C)(C)S(C)(=O)=O ZINC000774487507 581975631 /nfs/dbraw/zinc/97/56/31/581975631.db2.gz HOFGTSPHFKVPQE-UHFFFAOYSA-N 1 2 258.347 0.465 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000775720650 582034968 /nfs/dbraw/zinc/03/49/68/582034968.db2.gz ALAMBSWLHKRPOI-LBPRGKRZSA-N 1 2 294.399 0.250 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)[C@@H]1CCCO1 ZINC000775799520 582039687 /nfs/dbraw/zinc/03/96/87/582039687.db2.gz KQHRZWBSEFGREM-MELADBBJSA-N 1 2 258.321 0.983 20 30 CCEDLO C#C[C@H]([NH2+]CC(=O)Nc1cc(C)no1)[C@@H]1CCCO1 ZINC000775799556 582040364 /nfs/dbraw/zinc/04/03/64/582040364.db2.gz NRMCXVRCQBPQLG-QWRGUYRKSA-N 1 2 263.297 0.692 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)[C@@H]1CCCO1 ZINC000776000729 582048770 /nfs/dbraw/zinc/04/87/70/582048770.db2.gz MLYXEEPJBVLGHZ-STQMWFEESA-N 1 2 291.351 0.867 20 30 CCEDLO C#C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000776235273 582063567 /nfs/dbraw/zinc/06/35/67/582063567.db2.gz QOHZQVLDQFVCGH-UONOGXRCSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCOCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907338645 612985138 /nfs/dbraw/zinc/98/51/38/612985138.db2.gz BUBKHJMADFDQPO-QBFSEMIESA-N 1 2 266.341 0.031 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300893 612947813 /nfs/dbraw/zinc/94/78/13/612947813.db2.gz JFTYWPSOTBGUPZ-MWLCHTKSSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300893 612947814 /nfs/dbraw/zinc/94/78/14/612947814.db2.gz JFTYWPSOTBGUPZ-MWLCHTKSSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000931142971 612952991 /nfs/dbraw/zinc/95/29/91/612952991.db2.gz CHWAJRBQNBCBKV-SNVBAGLBSA-N 1 2 290.285 0.610 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC000931150751 612953013 /nfs/dbraw/zinc/95/30/13/612953013.db2.gz IAKHABXTVDEZNM-SNVBAGLBSA-N 1 2 265.313 0.737 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000858952787 613050769 /nfs/dbraw/zinc/05/07/69/613050769.db2.gz NCDKWWYIMAEZPO-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)OC ZINC000894985682 613071172 /nfs/dbraw/zinc/07/11/72/613071172.db2.gz MPJWUBOMMUXBND-STQMWFEESA-N 1 2 281.352 0.869 20 30 CCEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000852305250 613094027 /nfs/dbraw/zinc/09/40/27/613094027.db2.gz VZNNANMJVBGYDX-UONOGXRCSA-N 1 2 279.384 0.760 20 30 CCEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823846014 613100342 /nfs/dbraw/zinc/10/03/42/613100342.db2.gz XKLAZUHJLPZGQC-UHFFFAOYSA-N 1 2 255.281 0.918 20 30 CCEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823846014 613100344 /nfs/dbraw/zinc/10/03/44/613100344.db2.gz XKLAZUHJLPZGQC-UHFFFAOYSA-N 1 2 255.281 0.918 20 30 CCEDLO CC(C)(C)[C@@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866385666 614021099 /nfs/dbraw/zinc/02/10/99/614021099.db2.gz OWRUVAFQXMDYEU-QMAVJUDZSA-N 1 2 265.357 0.929 20 30 CCEDLO C#CCCCCC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000877939920 612977025 /nfs/dbraw/zinc/97/70/25/612977025.db2.gz CEPQHBITKSLYRF-OAHLLOKOSA-N 1 2 298.452 0.985 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967943439 617291722 /nfs/dbraw/zinc/29/17/22/617291722.db2.gz KPDWGJYMZSIQNG-DTWKUNHWSA-N 1 2 265.342 0.388 20 30 CCEDLO C#CCCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643729 612975199 /nfs/dbraw/zinc/97/51/99/612975199.db2.gz XLIXEDICAJEEOG-INIZCTEOSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643729 612975201 /nfs/dbraw/zinc/97/52/01/612975201.db2.gz XLIXEDICAJEEOG-INIZCTEOSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCCCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000845014593 612981579 /nfs/dbraw/zinc/98/15/79/612981579.db2.gz UYOFPIRHBQIKLH-UHFFFAOYSA-N 1 2 297.399 0.390 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000852151073 612983367 /nfs/dbraw/zinc/98/33/67/612983367.db2.gz CMEUPMWIPNXPFX-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO C#CCOCC[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000852151073 612983368 /nfs/dbraw/zinc/98/33/68/612983368.db2.gz CMEUPMWIPNXPFX-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO C#CCC[N@@H+](CCOC)CCS(=O)(=O)CCC ZINC000852751780 612988822 /nfs/dbraw/zinc/98/88/22/612988822.db2.gz MYXBTZAUCCCFKF-UHFFFAOYSA-N 1 2 261.387 0.783 20 30 CCEDLO C#CCC[N@H+](CCOC)CCS(=O)(=O)CCC ZINC000852751780 612988824 /nfs/dbraw/zinc/98/88/24/612988824.db2.gz MYXBTZAUCCCFKF-UHFFFAOYSA-N 1 2 261.387 0.783 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccn2)C1 ZINC000956992882 612993237 /nfs/dbraw/zinc/99/32/37/612993237.db2.gz IKSGONQYYKXFOT-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840523859 613000999 /nfs/dbraw/zinc/00/09/99/613000999.db2.gz RWOMBZVHKUPXTN-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCSCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000897388851 613010244 /nfs/dbraw/zinc/01/02/44/613010244.db2.gz CVEJQQQNZSOEBM-UHFFFAOYSA-N 1 2 290.392 0.800 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](CC)OC)CC1 ZINC000817128538 613011983 /nfs/dbraw/zinc/01/19/83/613011983.db2.gz FRLGATIAYYMJFN-ZDUSSCGKSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869499151 613018929 /nfs/dbraw/zinc/01/89/29/613018929.db2.gz WRKBGHWHNJDOQJ-YVZNUBBCSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000875929593 613033118 /nfs/dbraw/zinc/03/31/18/613033118.db2.gz SJCUBXSOHXBLNT-KBPBESRZSA-N 1 2 297.399 0.387 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000858861186 613038671 /nfs/dbraw/zinc/03/86/71/613038671.db2.gz ZCIWNQXGZMKWBU-LBPRGKRZSA-N 1 2 276.340 0.763 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000858861186 613038672 /nfs/dbraw/zinc/03/86/72/613038672.db2.gz ZCIWNQXGZMKWBU-LBPRGKRZSA-N 1 2 276.340 0.763 20 30 CCEDLO C#CC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)OC ZINC000837938427 613040231 /nfs/dbraw/zinc/04/02/31/613040231.db2.gz GFBOXJDQEUWYNW-CYBMUJFWSA-N 1 2 299.330 0.866 20 30 CCEDLO C#CCCOC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000859139445 613048321 /nfs/dbraw/zinc/04/83/21/613048321.db2.gz PMINKUZYAPFQQB-GFCCVEGCSA-N 1 2 254.330 0.799 20 30 CCEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921630366 613055513 /nfs/dbraw/zinc/05/55/13/613055513.db2.gz SKZNPYUJZHGIEL-CHWSQXEVSA-N 1 2 288.351 0.344 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000859031220 613062322 /nfs/dbraw/zinc/06/23/22/613062322.db2.gz GEUGSVQTPNWIHR-CHWSQXEVSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000875927362 613063256 /nfs/dbraw/zinc/06/32/56/613063256.db2.gz JTAQRKDWKJUKKK-BFHYXJOUSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000875927362 613063257 /nfs/dbraw/zinc/06/32/57/613063257.db2.gz JTAQRKDWKJUKKK-BFHYXJOUSA-N 1 2 297.399 0.433 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000854770603 613088577 /nfs/dbraw/zinc/08/85/77/613088577.db2.gz KKCBQAUZOPSIDP-KBPBESRZSA-N 1 2 282.384 0.234 20 30 CCEDLO C#C[C@@H](NC(=O)CNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000907488711 613092393 /nfs/dbraw/zinc/09/23/93/613092393.db2.gz SKMYZDFGRWLAFT-NEPJUHHUSA-N 1 2 259.309 0.791 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000847309977 613104885 /nfs/dbraw/zinc/10/48/85/613104885.db2.gz GZYOYIIRGLRBQO-HUUCEWRRSA-N 1 2 292.427 0.677 20 30 CCEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000852103997 613113149 /nfs/dbraw/zinc/11/31/49/613113149.db2.gz YCAHBSJTVKKAFT-AWEZNQCLSA-N 1 2 277.372 0.991 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC3(F)F)CC2)C1 ZINC000941452471 613114994 /nfs/dbraw/zinc/11/49/94/613114994.db2.gz XRWRENDSTORJAH-ZDUSSCGKSA-N 1 2 297.349 0.493 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CCC4)CC2)C1 ZINC000941587830 613115105 /nfs/dbraw/zinc/11/51/05/613115105.db2.gz WBVWYZPSQJAHKC-HNNXBMFYSA-N 1 2 287.407 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000941320376 613115743 /nfs/dbraw/zinc/11/57/43/613115743.db2.gz ZSUNLEDPSWKATK-UHFFFAOYSA-N 1 2 299.374 0.467 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854080623 613121167 /nfs/dbraw/zinc/12/11/67/613121167.db2.gz VPXFOSUADLFSHW-FRRDWIJNSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854080623 613121165 /nfs/dbraw/zinc/12/11/65/613121165.db2.gz VPXFOSUADLFSHW-FRRDWIJNSA-N 1 2 267.373 0.807 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000928653548 613132288 /nfs/dbraw/zinc/13/22/88/613132288.db2.gz PWLUXGJXARSTQI-UHFFFAOYSA-N 1 2 286.331 0.789 20 30 CCEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCOCC1 ZINC000856102451 613133101 /nfs/dbraw/zinc/13/31/01/613133101.db2.gz CLVCNDSNFYRUGC-AWEZNQCLSA-N 1 2 275.352 0.897 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)no1)[C@@H]1CCCO1 ZINC000877413983 613151195 /nfs/dbraw/zinc/15/11/95/613151195.db2.gz UJOACCUEYQMGJR-JQWIXIFHSA-N 1 2 264.281 0.732 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(=C)C)C1 ZINC000885511099 613192821 /nfs/dbraw/zinc/19/28/21/613192821.db2.gz BXYCCTGUQLEACV-LBPRGKRZSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(=C)C)C1 ZINC000885511099 613192822 /nfs/dbraw/zinc/19/28/22/613192822.db2.gz BXYCCTGUQLEACV-LBPRGKRZSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000923556742 613173678 /nfs/dbraw/zinc/17/36/78/613173678.db2.gz IDBSUNVRIACNSY-QWHCGFSZSA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000923556742 613173680 /nfs/dbraw/zinc/17/36/80/613173680.db2.gz IDBSUNVRIACNSY-QWHCGFSZSA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000885511707 613175935 /nfs/dbraw/zinc/17/59/35/613175935.db2.gz LSTKPSDGKLJEJP-GXTWGEPZSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000885511707 613175936 /nfs/dbraw/zinc/17/59/36/613175936.db2.gz LSTKPSDGKLJEJP-GXTWGEPZSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000885512164 613175985 /nfs/dbraw/zinc/17/59/85/613175985.db2.gz SMXVSYIJGIHTCW-CHWSQXEVSA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000885512164 613175986 /nfs/dbraw/zinc/17/59/86/613175986.db2.gz SMXVSYIJGIHTCW-CHWSQXEVSA-N 1 2 286.397 0.040 20 30 CCEDLO C#Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)nc1 ZINC000840524759 613177268 /nfs/dbraw/zinc/17/72/68/613177268.db2.gz FWPHLIYRZORCRL-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC000923567145 613191236 /nfs/dbraw/zinc/19/12/36/613191236.db2.gz QJFFIMLJQWUABO-JTQLQIEISA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC000923567145 613191238 /nfs/dbraw/zinc/19/12/38/613191238.db2.gz QJFFIMLJQWUABO-JTQLQIEISA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000885512689 613193375 /nfs/dbraw/zinc/19/33/75/613193375.db2.gz XXHXIIJRMNLRLP-STQMWFEESA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000885512689 613193377 /nfs/dbraw/zinc/19/33/77/613193377.db2.gz XXHXIIJRMNLRLP-STQMWFEESA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000884613495 613193673 /nfs/dbraw/zinc/19/36/73/613193673.db2.gz NWWJHEHVFXRAKR-JTQLQIEISA-N 1 2 256.313 0.862 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000884613495 613193675 /nfs/dbraw/zinc/19/36/75/613193675.db2.gz NWWJHEHVFXRAKR-JTQLQIEISA-N 1 2 256.313 0.862 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000870606847 613194085 /nfs/dbraw/zinc/19/40/85/613194085.db2.gz IDZPCNAYSAGTQK-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000870606847 613194087 /nfs/dbraw/zinc/19/40/87/613194087.db2.gz IDZPCNAYSAGTQK-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000930639488 613194726 /nfs/dbraw/zinc/19/47/26/613194726.db2.gz IQMKDGULADKWPG-LBPRGKRZSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000930639488 613194727 /nfs/dbraw/zinc/19/47/27/613194727.db2.gz IQMKDGULADKWPG-LBPRGKRZSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nccc(OC)c1F ZINC000855807176 613200490 /nfs/dbraw/zinc/20/04/90/613200490.db2.gz LCQONGGRFMUTEJ-LBPRGKRZSA-N 1 2 291.326 0.943 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nccc(OC)c1F ZINC000855807176 613200491 /nfs/dbraw/zinc/20/04/91/613200491.db2.gz LCQONGGRFMUTEJ-LBPRGKRZSA-N 1 2 291.326 0.943 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CNC2=O ZINC000805238895 613203348 /nfs/dbraw/zinc/20/33/48/613203348.db2.gz JSBNRIYUCUPMOU-AWEZNQCLSA-N 1 2 283.331 0.966 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CNC2=O ZINC000805238895 613203350 /nfs/dbraw/zinc/20/33/50/613203350.db2.gz JSBNRIYUCUPMOU-AWEZNQCLSA-N 1 2 283.331 0.966 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)[C@H](C)O)c1 ZINC000929290316 613203718 /nfs/dbraw/zinc/20/37/18/613203718.db2.gz QKDMMZRMOLCYKD-SMDDNHRTSA-N 1 2 276.336 0.280 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)[C@H](C)O)c1 ZINC000929290316 613203720 /nfs/dbraw/zinc/20/37/20/613203720.db2.gz QKDMMZRMOLCYKD-SMDDNHRTSA-N 1 2 276.336 0.280 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCC3(CCCC3)C2=O)CC1 ZINC000872556509 613209406 /nfs/dbraw/zinc/20/94/06/613209406.db2.gz FNQFPBZMWFGXHW-UHFFFAOYSA-N 1 2 275.396 0.987 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000949307718 613210082 /nfs/dbraw/zinc/21/00/82/613210082.db2.gz PKMBBRWOVLLHTF-CQSZACIVSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000949307718 613210084 /nfs/dbraw/zinc/21/00/84/613210084.db2.gz PKMBBRWOVLLHTF-CQSZACIVSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972211326 613211007 /nfs/dbraw/zinc/21/10/07/613211007.db2.gz OUYQWAYLRDZQKD-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972211326 613211008 /nfs/dbraw/zinc/21/10/08/613211008.db2.gz OUYQWAYLRDZQKD-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972355695 613211110 /nfs/dbraw/zinc/21/11/10/613211110.db2.gz OFYIFTQJCDUVTC-INIZCTEOSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972355695 613211112 /nfs/dbraw/zinc/21/11/12/613211112.db2.gz OFYIFTQJCDUVTC-INIZCTEOSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C/c3ccc[nH]3)C2)C1 ZINC000972356584 613211839 /nfs/dbraw/zinc/21/18/39/613211839.db2.gz DGIZBLZFLWGATH-FUTAKVPZSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C/c3ccc[nH]3)C2)C1 ZINC000972356584 613211841 /nfs/dbraw/zinc/21/18/41/613211841.db2.gz DGIZBLZFLWGATH-FUTAKVPZSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243469 613212591 /nfs/dbraw/zinc/21/25/91/613212591.db2.gz QSJZLYNHTYNTHH-CYBMUJFWSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243469 613212594 /nfs/dbraw/zinc/21/25/94/613212594.db2.gz QSJZLYNHTYNTHH-CYBMUJFWSA-N 1 2 268.382 0.286 20 30 CCEDLO C/C(=C/C(=O)N(CC#N)CC#N)C[NH+]1CCOCC1 ZINC000900463945 613228119 /nfs/dbraw/zinc/22/81/19/613228119.db2.gz IVUIIQLHQQUMLJ-BENRWUELSA-N 1 2 262.313 0.141 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656160 613252469 /nfs/dbraw/zinc/25/24/69/613252469.db2.gz XSAJONOENQWMAP-GXTWGEPZSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656160 613252471 /nfs/dbraw/zinc/25/24/71/613252471.db2.gz XSAJONOENQWMAP-GXTWGEPZSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000957395184 613295934 /nfs/dbraw/zinc/29/59/34/613295934.db2.gz UURBASTZJFABKL-UHFFFAOYSA-N 1 2 290.367 0.836 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000951364969 613315678 /nfs/dbraw/zinc/31/56/78/613315678.db2.gz ZOJWGLFYLWGHQJ-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC000948839924 613319436 /nfs/dbraw/zinc/31/94/36/613319436.db2.gz NYPVZYIHPYIKFV-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC000851739686 613323424 /nfs/dbraw/zinc/32/34/24/613323424.db2.gz DWZAXMHHMUNIMB-UHFFFAOYSA-N 1 2 275.356 0.259 20 30 CCEDLO C=C(C)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925596916 613346573 /nfs/dbraw/zinc/34/65/73/613346573.db2.gz VDUYPWPSCRJXDT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CNC(=S)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914705557 613346769 /nfs/dbraw/zinc/34/67/69/613346769.db2.gz XWPCCIASNUNKMA-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000854217468 613353267 /nfs/dbraw/zinc/35/32/67/613353267.db2.gz NYJZOFBZMUVQQI-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000854217468 613353268 /nfs/dbraw/zinc/35/32/68/613353268.db2.gz NYJZOFBZMUVQQI-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925294593 613359891 /nfs/dbraw/zinc/35/98/91/613359891.db2.gz LDIZMIXRWPNTRR-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925294593 613359892 /nfs/dbraw/zinc/35/98/92/613359892.db2.gz LDIZMIXRWPNTRR-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000908035607 613363767 /nfs/dbraw/zinc/36/37/67/613363767.db2.gz MBTBYPCRSGDQKS-LLVKDONJSA-N 1 2 293.371 0.724 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687367 613370127 /nfs/dbraw/zinc/37/01/27/613370127.db2.gz KTSPFSJJTUCGDL-JTQLQIEISA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687367 613370128 /nfs/dbraw/zinc/37/01/28/613370128.db2.gz KTSPFSJJTUCGDL-JTQLQIEISA-N 1 2 283.763 0.632 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)n2C)C1 ZINC000970274159 613371891 /nfs/dbraw/zinc/37/18/91/613371891.db2.gz LAJNRWVMKGYIGZ-SECBINFHSA-N 1 2 298.774 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944047992 613378839 /nfs/dbraw/zinc/37/88/39/613378839.db2.gz WOUQXCWUUFTFNU-ONGXEEELSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944047992 613378840 /nfs/dbraw/zinc/37/88/40/613378840.db2.gz WOUQXCWUUFTFNU-ONGXEEELSA-N 1 2 297.790 0.926 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795792 613399201 /nfs/dbraw/zinc/39/92/01/613399201.db2.gz VKYQOUXDEWQEIW-KOLCDFICSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795792 613399205 /nfs/dbraw/zinc/39/92/05/613399205.db2.gz VKYQOUXDEWQEIW-KOLCDFICSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000879034860 613412536 /nfs/dbraw/zinc/41/25/36/613412536.db2.gz LXNXCXWEQIVAAX-MFKMUULPSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000879034860 613412540 /nfs/dbraw/zinc/41/25/40/613412540.db2.gz LXNXCXWEQIVAAX-MFKMUULPSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](CCF)C2)nn1 ZINC000970544058 613430602 /nfs/dbraw/zinc/43/06/02/613430602.db2.gz FSODFAJKTOQWAF-SNVBAGLBSA-N 1 2 281.335 0.484 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H]2CCC2(OC)OC)nn1 ZINC000926614620 613435822 /nfs/dbraw/zinc/43/58/22/613435822.db2.gz LUYJBXBBHSFILK-LLVKDONJSA-N 1 2 252.318 0.705 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000845635492 613445961 /nfs/dbraw/zinc/44/59/61/613445961.db2.gz HBAOASDXFNACBC-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000845635492 613445964 /nfs/dbraw/zinc/44/59/64/613445964.db2.gz HBAOASDXFNACBC-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000924808052 613472346 /nfs/dbraw/zinc/47/23/46/613472346.db2.gz YWWQEPWTYWZPNE-AGIUHOORSA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000924808052 613472347 /nfs/dbraw/zinc/47/23/47/613472347.db2.gz YWWQEPWTYWZPNE-AGIUHOORSA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000950055551 613478217 /nfs/dbraw/zinc/47/82/17/613478217.db2.gz CELQELMYUIXANU-VXGBXAGGSA-N 1 2 267.329 0.760 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585679 613482463 /nfs/dbraw/zinc/48/24/63/613482463.db2.gz SNPKADZUWXQFJG-VXGBXAGGSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585679 613482464 /nfs/dbraw/zinc/48/24/64/613482464.db2.gz SNPKADZUWXQFJG-VXGBXAGGSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991843 613482553 /nfs/dbraw/zinc/48/25/53/613482553.db2.gz RVCQLYZTZPRFJU-GFCCVEGCSA-N 1 2 280.328 0.135 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000941311517 613530028 /nfs/dbraw/zinc/53/00/28/613530028.db2.gz MFSBUVQBUFAVIJ-UHFFFAOYSA-N 1 2 287.363 0.745 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000970039598 613535042 /nfs/dbraw/zinc/53/50/42/613535042.db2.gz YIVQTRGFZPTDHU-LLVKDONJSA-N 1 2 286.379 0.972 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000950728980 613567748 /nfs/dbraw/zinc/56/77/48/613567748.db2.gz NEDFKQFHCJRMNA-UHFFFAOYSA-N 1 2 273.336 0.877 20 30 CCEDLO CC#CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819766349 613569550 /nfs/dbraw/zinc/56/95/50/613569550.db2.gz XFTRMDGVFSUCEI-NSHDSACASA-N 1 2 298.354 0.191 20 30 CCEDLO CC#CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819766349 613569551 /nfs/dbraw/zinc/56/95/51/613569551.db2.gz XFTRMDGVFSUCEI-NSHDSACASA-N 1 2 298.354 0.191 20 30 CCEDLO C=CCCOCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870070456 613571441 /nfs/dbraw/zinc/57/14/41/613571441.db2.gz VBCYUCMUZDDQFX-AWEZNQCLSA-N 1 2 298.383 0.139 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884033 613578581 /nfs/dbraw/zinc/57/85/81/613578581.db2.gz OFXGUVGZVTYLMA-QWRGUYRKSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880391796 613646422 /nfs/dbraw/zinc/64/64/22/613646422.db2.gz XUEKSLDAXYOABI-UHFFFAOYSA-N 1 2 295.383 0.153 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880391796 613646426 /nfs/dbraw/zinc/64/64/26/613646426.db2.gz XUEKSLDAXYOABI-UHFFFAOYSA-N 1 2 295.383 0.153 20 30 CCEDLO C=CC[N@H+](CN1CC2(COC2)CC1=O)[C@@H](C)COC ZINC000872623770 613651434 /nfs/dbraw/zinc/65/14/34/613651434.db2.gz FGPGMFLENLYZEZ-LBPRGKRZSA-N 1 2 268.357 0.716 20 30 CCEDLO C=CC[N@@H+](CN1CC2(COC2)CC1=O)[C@@H](C)COC ZINC000872623770 613651436 /nfs/dbraw/zinc/65/14/36/613651436.db2.gz FGPGMFLENLYZEZ-LBPRGKRZSA-N 1 2 268.357 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000957120343 613654795 /nfs/dbraw/zinc/65/47/95/613654795.db2.gz ALSHRQONYNAUTM-CYBMUJFWSA-N 1 2 294.399 0.638 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC000951753966 613656018 /nfs/dbraw/zinc/65/60/18/613656018.db2.gz GASKVSJMSLHSMX-OLZOCXBDSA-N 1 2 279.384 0.429 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccn(C)c2=O)C1 ZINC000957286232 613658245 /nfs/dbraw/zinc/65/82/45/613658245.db2.gz UDOWQMMKJXXOGI-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2nc(C)no2)CC1 ZINC000949567841 613707943 /nfs/dbraw/zinc/70/79/43/613707943.db2.gz BNCQKNHEHIUWEG-UHFFFAOYSA-N 1 2 264.329 0.641 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000949205414 613709015 /nfs/dbraw/zinc/70/90/15/613709015.db2.gz MCRRAXOQCROFKU-GFCCVEGCSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000957846291 613709446 /nfs/dbraw/zinc/70/94/46/613709446.db2.gz VFGCLJVCOBIHQS-UHFFFAOYSA-N 1 2 287.363 0.658 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000949498620 613712607 /nfs/dbraw/zinc/71/26/07/613712607.db2.gz OMSBTNCWIYAXRZ-CHWSQXEVSA-N 1 2 268.357 0.368 20 30 CCEDLO C=CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819751123 613721470 /nfs/dbraw/zinc/72/14/70/613721470.db2.gz QORMPNSBYITAIZ-JTQLQIEISA-N 1 2 286.343 0.353 20 30 CCEDLO C=CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819751123 613721471 /nfs/dbraw/zinc/72/14/71/613721471.db2.gz QORMPNSBYITAIZ-JTQLQIEISA-N 1 2 286.343 0.353 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972294556 613723496 /nfs/dbraw/zinc/72/34/96/613723496.db2.gz MELGORZOUWEONO-ZFWWWQNUSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972294556 613723499 /nfs/dbraw/zinc/72/34/99/613723499.db2.gz MELGORZOUWEONO-ZFWWWQNUSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 ZINC000972489640 613726772 /nfs/dbraw/zinc/72/67/72/613726772.db2.gz PLFJQTFQFOXGRF-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 ZINC000972489640 613726774 /nfs/dbraw/zinc/72/67/74/613726774.db2.gz PLFJQTFQFOXGRF-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000972570678 613727179 /nfs/dbraw/zinc/72/71/79/613727179.db2.gz DDMVDJAPFNURSU-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000972570678 613727181 /nfs/dbraw/zinc/72/71/81/613727181.db2.gz DDMVDJAPFNURSU-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC000798624094 613803724 /nfs/dbraw/zinc/80/37/24/613803724.db2.gz ZLBBHSMZXKILGU-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC000798624094 613803725 /nfs/dbraw/zinc/80/37/25/613803725.db2.gz ZLBBHSMZXKILGU-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932272358 613849668 /nfs/dbraw/zinc/84/96/68/613849668.db2.gz DJSQCAJRKSZESI-GFCCVEGCSA-N 1 2 291.355 0.569 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932272358 613849669 /nfs/dbraw/zinc/84/96/69/613849669.db2.gz DJSQCAJRKSZESI-GFCCVEGCSA-N 1 2 291.355 0.569 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CC1(C)C ZINC000884421171 613877362 /nfs/dbraw/zinc/87/73/62/613877362.db2.gz NLISGZSHUZGYMC-QWRGUYRKSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(F)CC1 ZINC000884464459 613877372 /nfs/dbraw/zinc/87/73/72/613877372.db2.gz PWTXPVKONNSMNY-JTQLQIEISA-N 1 2 272.320 0.784 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CCC2)C1 ZINC000884141022 613877566 /nfs/dbraw/zinc/87/75/66/613877566.db2.gz MMVATXKWODAPLX-NSHDSACASA-N 1 2 266.341 0.836 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(SC)CC1 ZINC000884449473 613877702 /nfs/dbraw/zinc/87/77/02/613877702.db2.gz GONQCJYLXPAKNR-NSHDSACASA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000884172777 613877961 /nfs/dbraw/zinc/87/79/61/613877961.db2.gz DLUYJSJBNOZCMY-AXFHLTTASA-N 1 2 254.330 0.832 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(CC)CCOCC1 ZINC000884403819 613878057 /nfs/dbraw/zinc/87/80/57/613878057.db2.gz SJVDIHKREUKHBX-NSHDSACASA-N 1 2 284.356 0.508 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)C1CCCC1 ZINC000884414775 613878297 /nfs/dbraw/zinc/87/82/97/613878297.db2.gz AZALMDQAZQGPMI-QWHCGFSZSA-N 1 2 298.383 0.754 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000884321111 613878634 /nfs/dbraw/zinc/87/86/34/613878634.db2.gz GOTVCAZUNJTLEW-FRRDWIJNSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000884346817 613878679 /nfs/dbraw/zinc/87/86/79/613878679.db2.gz BXPWHTRSKPOZEX-SRVKXCTJSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000884168273 613878730 /nfs/dbraw/zinc/87/87/30/613878730.db2.gz BTYQFXWCQWTHIW-GARJFASQSA-N 1 2 284.356 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]12C[C@H]1CCCC2 ZINC000884461119 613878773 /nfs/dbraw/zinc/87/87/73/613878773.db2.gz VDWLIFDCVQQQRZ-UHIISALHSA-N 1 2 266.341 0.882 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703487 613879295 /nfs/dbraw/zinc/87/92/95/613879295.db2.gz VNHIWQFVQBOOFK-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703487 613879296 /nfs/dbraw/zinc/87/92/96/613879296.db2.gz VNHIWQFVQBOOFK-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923277657 613880173 /nfs/dbraw/zinc/88/01/73/613880173.db2.gz IXHUKCJVZOKVHO-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000957779576 613929510 /nfs/dbraw/zinc/92/95/10/613929510.db2.gz CUOYHPPRYRIYQD-DZGCQCFKSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000957779576 613929513 /nfs/dbraw/zinc/92/95/13/613929513.db2.gz CUOYHPPRYRIYQD-DZGCQCFKSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(C)(CNC(=O)[C@@]1(C#N)CCCOC1)[NH+]1CCOCC1 ZINC000864517373 614106334 /nfs/dbraw/zinc/10/63/34/614106334.db2.gz ZZBZUPKOPOOGRM-OAHLLOKOSA-N 1 2 295.383 0.534 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899055546 614284902 /nfs/dbraw/zinc/28/49/02/614284902.db2.gz OCKDDTZNPYKEFE-UHFFFAOYSA-N 1 2 267.329 0.101 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899055546 614284904 /nfs/dbraw/zinc/28/49/04/614284904.db2.gz OCKDDTZNPYKEFE-UHFFFAOYSA-N 1 2 267.329 0.101 20 30 CCEDLO CC(C)[C@]12C[C@H]1C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O ZINC000899894931 614295436 /nfs/dbraw/zinc/29/54/36/614295436.db2.gz JNMVQKNUWZSIEI-TYNCELHUSA-N 1 2 293.367 0.224 20 30 CCEDLO CC(C)[C@]12C[C@H]1C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000899894931 614295437 /nfs/dbraw/zinc/29/54/37/614295437.db2.gz JNMVQKNUWZSIEI-TYNCELHUSA-N 1 2 293.367 0.224 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000830154677 614326362 /nfs/dbraw/zinc/32/63/62/614326362.db2.gz DLQJAQVBGAYMHE-OAHLLOKOSA-N 1 2 294.395 0.596 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000825927212 614327547 /nfs/dbraw/zinc/32/75/47/614327547.db2.gz AEACKYFFXHUINF-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000825927212 614327548 /nfs/dbraw/zinc/32/75/48/614327548.db2.gz AEACKYFFXHUINF-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO CCC(=[NH+]NC(=S)NCC(=O)NC)c1cccc(N)c1 ZINC000814845458 614444336 /nfs/dbraw/zinc/44/43/36/614444336.db2.gz XWRPQTBJPFOHTM-UHFFFAOYSA-N 1 2 293.396 0.593 20 30 CCEDLO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](C#N)C2)C1=O ZINC000932159047 614803662 /nfs/dbraw/zinc/80/36/62/614803662.db2.gz STCYQNUUETWHFJ-NSHDSACASA-N 1 2 278.356 0.942 20 30 CCEDLO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](C#N)C2)C1=O ZINC000932159047 614803664 /nfs/dbraw/zinc/80/36/64/614803664.db2.gz STCYQNUUETWHFJ-NSHDSACASA-N 1 2 278.356 0.942 20 30 CCEDLO CCNS(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000873047726 615105325 /nfs/dbraw/zinc/10/53/25/615105325.db2.gz AQRATHKXIJTUHM-UHFFFAOYSA-N 1 2 285.344 0.726 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885973481 615188110 /nfs/dbraw/zinc/18/81/10/615188110.db2.gz UFCBTBZUWSVXPO-LLVKDONJSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885973481 615188112 /nfs/dbraw/zinc/18/81/12/615188112.db2.gz UFCBTBZUWSVXPO-LLVKDONJSA-N 1 2 254.330 0.926 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)CC#N ZINC000928646569 615478921 /nfs/dbraw/zinc/47/89/21/615478921.db2.gz CDYNQXDDESSYJC-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C#N ZINC000921881990 615478079 /nfs/dbraw/zinc/47/80/79/615478079.db2.gz YHUFCOLIWJKRHL-NEPJUHHUSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000928643952 615479739 /nfs/dbraw/zinc/47/97/39/615479739.db2.gz VYXVUBKPFRSYAE-NSHDSACASA-N 1 2 276.340 0.727 20 30 CCEDLO C[NH+](C)[C@H](C(=O)N1CC[C@@H](NCC#N)C1)c1cccnc1 ZINC000970815452 615987824 /nfs/dbraw/zinc/98/78/24/615987824.db2.gz HOZFSPRGAVSUJZ-KGLIPLIRSA-N 1 2 287.367 0.398 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801560702 616067398 /nfs/dbraw/zinc/06/73/98/616067398.db2.gz MBVQHRGQPOTHIF-JTQLQIEISA-N 1 2 275.299 0.714 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801560702 616067399 /nfs/dbraw/zinc/06/73/99/616067399.db2.gz MBVQHRGQPOTHIF-JTQLQIEISA-N 1 2 275.299 0.714 20 30 CCEDLO CN1C(=O)[C@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@H]2C1=O ZINC000877719787 616159048 /nfs/dbraw/zinc/15/90/48/616159048.db2.gz IHARVETUKKPOQQ-DTORHVGOSA-N 1 2 276.321 0.061 20 30 CCEDLO CN1C(=O)[C@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@H]2C1=O ZINC000877719787 616159049 /nfs/dbraw/zinc/15/90/49/616159049.db2.gz IHARVETUKKPOQQ-DTORHVGOSA-N 1 2 276.321 0.061 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(C=O)c[nH]2)CC1 ZINC000815485549 616166139 /nfs/dbraw/zinc/16/61/39/616166139.db2.gz CIMJPECPXPLPEY-UHFFFAOYSA-N 1 2 260.297 0.545 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1CO ZINC000913544740 616229918 /nfs/dbraw/zinc/22/99/18/616229918.db2.gz LCTXLWOQZAJZSD-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1CO ZINC000913544740 616229919 /nfs/dbraw/zinc/22/99/19/616229919.db2.gz LCTXLWOQZAJZSD-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1CO ZINC000913544346 616230253 /nfs/dbraw/zinc/23/02/53/616230253.db2.gz CGSVZKLQWGBEEC-GFCCVEGCSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1CO ZINC000913544346 616230254 /nfs/dbraw/zinc/23/02/54/616230254.db2.gz CGSVZKLQWGBEEC-GFCCVEGCSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H](CO)C1 ZINC000912740774 616230367 /nfs/dbraw/zinc/23/03/67/616230367.db2.gz COGVTXKSOIICRG-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H](CO)C1 ZINC000912740774 616230368 /nfs/dbraw/zinc/23/03/68/616230368.db2.gz COGVTXKSOIICRG-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1CO ZINC000913552379 616230972 /nfs/dbraw/zinc/23/09/72/616230972.db2.gz MNPRBHYNVLFJGP-LBPRGKRZSA-N 1 2 289.335 0.337 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1CO ZINC000913552379 616230973 /nfs/dbraw/zinc/23/09/73/616230973.db2.gz MNPRBHYNVLFJGP-LBPRGKRZSA-N 1 2 289.335 0.337 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000912741697 616232055 /nfs/dbraw/zinc/23/20/55/616232055.db2.gz ZYOSDWGVZSVBHE-SNVBAGLBSA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000912741697 616232056 /nfs/dbraw/zinc/23/20/56/616232056.db2.gz ZYOSDWGVZSVBHE-SNVBAGLBSA-N 1 2 294.742 0.355 20 30 CCEDLO C[NH+]1CCN(N=Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821629012 616246204 /nfs/dbraw/zinc/24/62/04/616246204.db2.gz WRTSDKSIQABIAG-UHFFFAOYSA-N 1 2 261.289 0.041 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000921412095 616305578 /nfs/dbraw/zinc/30/55/78/616305578.db2.gz FRKYKZUXRUKTCL-MRVPVSSYSA-N 1 2 271.367 0.602 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000921412095 616305581 /nfs/dbraw/zinc/30/55/81/616305581.db2.gz FRKYKZUXRUKTCL-MRVPVSSYSA-N 1 2 271.367 0.602 20 30 CCEDLO COC/C(C)=C\C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000930630225 616387095 /nfs/dbraw/zinc/38/70/95/616387095.db2.gz JDVFEDHOCCYRLX-QCDXTXTGSA-N 1 2 251.330 0.637 20 30 CCEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCC#N)C1 ZINC000882136529 616458882 /nfs/dbraw/zinc/45/88/82/616458882.db2.gz NTCYWFJVSKYNNC-UHFFFAOYSA-N 1 2 279.365 0.866 20 30 CCEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCC#N)C1 ZINC000882136529 616458883 /nfs/dbraw/zinc/45/88/83/616458883.db2.gz NTCYWFJVSKYNNC-UHFFFAOYSA-N 1 2 279.365 0.866 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000825374003 616545567 /nfs/dbraw/zinc/54/55/67/616545567.db2.gz ARVBCYIMLJBCRG-NXEZZACHSA-N 1 2 276.296 0.428 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000825374003 616545572 /nfs/dbraw/zinc/54/55/72/616545572.db2.gz ARVBCYIMLJBCRG-NXEZZACHSA-N 1 2 276.296 0.428 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033539 616664832 /nfs/dbraw/zinc/66/48/32/616664832.db2.gz WPHOITPZGJXSRP-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033539 616664838 /nfs/dbraw/zinc/66/48/38/616664838.db2.gz WPHOITPZGJXSRP-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO COC[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866352996 616744339 /nfs/dbraw/zinc/74/43/39/616744339.db2.gz DCZGUPYGRPYHIB-MWLCHTKSSA-N 1 2 250.298 0.922 20 30 CCEDLO COCC[N@@H+](CC(=O)OC)C[C@H](O)CC1(C#N)CCC1 ZINC000886011092 616986357 /nfs/dbraw/zinc/98/63/57/616986357.db2.gz VNSNFPPDTOOLEC-GFCCVEGCSA-N 1 2 284.356 0.553 20 30 CCEDLO COCC[N@H+](CC(=O)OC)C[C@H](O)CC1(C#N)CCC1 ZINC000886011092 616986359 /nfs/dbraw/zinc/98/63/59/616986359.db2.gz VNSNFPPDTOOLEC-GFCCVEGCSA-N 1 2 284.356 0.553 20 30 CCEDLO COCCN(CCC#N)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900560275 616991335 /nfs/dbraw/zinc/99/13/35/616991335.db2.gz JTXRNMZJMQBLRF-OWBHPGMISA-N 1 2 295.383 0.654 20 30 CCEDLO N#CCNC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001026613507 625481950 /nfs/dbraw/zinc/48/19/50/625481950.db2.gz PZVJXNVSKFETOZ-UHFFFAOYSA-N 1 2 261.329 0.424 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC000934514933 622731711 /nfs/dbraw/zinc/73/17/11/622731711.db2.gz YMWISMJTJKBNIS-LBPRGKRZSA-N 1 2 279.384 0.505 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC000934514933 622731719 /nfs/dbraw/zinc/73/17/19/622731719.db2.gz YMWISMJTJKBNIS-LBPRGKRZSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807278 623450391 /nfs/dbraw/zinc/45/03/91/623450391.db2.gz AZYWDEPSAYSXIC-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024807278 623450421 /nfs/dbraw/zinc/45/04/21/623450421.db2.gz AZYWDEPSAYSXIC-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024807278 623450429 /nfs/dbraw/zinc/45/04/29/623450429.db2.gz AZYWDEPSAYSXIC-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO O=C(NCC#CCO)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000923765980 623529509 /nfs/dbraw/zinc/52/95/09/623529509.db2.gz YAVZOOCFSLRCTA-GFCCVEGCSA-N 1 2 262.313 0.053 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCO[C@@](C)(C#N)C2)CCO1 ZINC000892596932 623573475 /nfs/dbraw/zinc/57/34/75/623573475.db2.gz RLLYXTPVGJYQGP-OCCSQVGLSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCO[C@@](C)(C#N)C2)CCO1 ZINC000892596932 623573487 /nfs/dbraw/zinc/57/34/87/623573487.db2.gz RLLYXTPVGJYQGP-OCCSQVGLSA-N 1 2 296.371 0.031 20 30 CCEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc3[nH+]ccn32)c1=O ZINC000180315710 623585679 /nfs/dbraw/zinc/58/56/79/623585679.db2.gz DYKUAJISJLNMMG-AATRIKPKSA-N 1 2 296.286 0.617 20 30 CCEDLO C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000932350399 624498049 /nfs/dbraw/zinc/49/80/49/624498049.db2.gz RXCQCWAEQANTRY-FZMZJTMJSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000932350399 624498050 /nfs/dbraw/zinc/49/80/50/624498050.db2.gz RXCQCWAEQANTRY-FZMZJTMJSA-N 1 2 265.357 0.906 20 30 CCEDLO O=C1OCCN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600497 634410079 /nfs/dbraw/zinc/41/00/79/634410079.db2.gz VBPQXSRVIWEYCQ-UHFFFAOYSA-N 1 2 266.297 0.734 20 30 CCEDLO C[C@@H]1CN(C(=O)CO[NH+]=C(N)c2ccccc2)CCO1 ZINC000078346470 624871925 /nfs/dbraw/zinc/87/19/25/624871925.db2.gz LIOPVHNMFKNEMZ-LLVKDONJSA-N 1 2 277.324 0.571 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]1CO ZINC000934022409 625005529 /nfs/dbraw/zinc/00/55/29/625005529.db2.gz LZLDJWMCDPYKCW-ZWNOBZJWSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]1CO ZINC000934022409 625005536 /nfs/dbraw/zinc/00/55/36/625005536.db2.gz LZLDJWMCDPYKCW-ZWNOBZJWSA-N 1 2 259.309 0.952 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978716104 630839390 /nfs/dbraw/zinc/83/93/90/630839390.db2.gz WLOXNLGEGKBELU-ZDEQEGDKSA-N 1 2 299.378 0.647 20 30 CCEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)ncn1 ZINC000980850420 631068050 /nfs/dbraw/zinc/06/80/50/631068050.db2.gz TZDUCFSMXZVGGJ-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)ncn1 ZINC000980850420 631068053 /nfs/dbraw/zinc/06/80/53/631068053.db2.gz TZDUCFSMXZVGGJ-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000967945933 650005942 /nfs/dbraw/zinc/00/59/42/650005942.db2.gz ZDAYVTVUQCKZDE-MWLCHTKSSA-N 1 2 289.339 0.797 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CCO[C@@](C)(C#N)C2)c1 ZINC000895292015 632046830 /nfs/dbraw/zinc/04/68/30/632046830.db2.gz QWLVRIPSRKFJNZ-ZDUSSCGKSA-N 1 2 277.328 0.287 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC000896210909 632215348 /nfs/dbraw/zinc/21/53/48/632215348.db2.gz PAHVTPWOCYQIET-NSHDSACASA-N 1 2 262.313 0.678 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007337082 650074649 /nfs/dbraw/zinc/07/46/49/650074649.db2.gz IFMMSFZNOAUIGF-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007337082 650074652 /nfs/dbraw/zinc/07/46/52/650074652.db2.gz IFMMSFZNOAUIGF-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H](NCC#N)[C@@H]1C ZINC000986421275 632754363 /nfs/dbraw/zinc/75/43/63/632754363.db2.gz YNOJTIQWMKMCRL-WCQYABFASA-N 1 2 288.351 0.735 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1[nH+]ccn1C ZINC000989222091 633169775 /nfs/dbraw/zinc/16/97/75/633169775.db2.gz NGDOMJVGQGFLAQ-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H](C)N1CC#N ZINC000898132513 633278882 /nfs/dbraw/zinc/27/88/82/633278882.db2.gz JXKUQTCPYVFCRT-FDYHWXHSSA-N 1 2 287.367 0.958 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H](C)N1CC#N ZINC000898132513 633278885 /nfs/dbraw/zinc/27/88/85/633278885.db2.gz JXKUQTCPYVFCRT-FDYHWXHSSA-N 1 2 287.367 0.958 20 30 CCEDLO N#CC1(NC(=O)CNc2cccc[nH+]2)CCOCC1 ZINC000900728219 634073589 /nfs/dbraw/zinc/07/35/89/634073589.db2.gz ZLWQNJQWZLKFKK-UHFFFAOYSA-N 1 2 260.297 0.682 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913459942 636812996 /nfs/dbraw/zinc/81/29/96/636812996.db2.gz DHCWPPFAJIKPPC-CQSZACIVSA-N 1 2 299.334 0.980 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)/N=C\c1ccc(O)c(O)c1O ZINC000915979768 637882066 /nfs/dbraw/zinc/88/20/66/637882066.db2.gz SIWNCWLOTJVWLA-SOOGHKCXSA-N 1 2 280.324 0.943 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374340 650444461 /nfs/dbraw/zinc/44/44/61/650444461.db2.gz HLNQLYRGZZNWLB-SNVBAGLBSA-N 1 2 283.763 0.599 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374340 650444464 /nfs/dbraw/zinc/44/44/64/650444464.db2.gz HLNQLYRGZZNWLB-SNVBAGLBSA-N 1 2 283.763 0.599 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097313 638761603 /nfs/dbraw/zinc/76/16/03/638761603.db2.gz GQFXFQZBPRLBQV-YPMHNXCESA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996399225 638817630 /nfs/dbraw/zinc/81/76/30/638817630.db2.gz QXDFJJBUKOWMHW-DGCLKSJQSA-N 1 2 289.383 0.938 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996399225 638817632 /nfs/dbraw/zinc/81/76/32/638817632.db2.gz QXDFJJBUKOWMHW-DGCLKSJQSA-N 1 2 289.383 0.938 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996561191 638822323 /nfs/dbraw/zinc/82/23/23/638822323.db2.gz IDCIAXJMTLVJPQ-GFCCVEGCSA-N 1 2 275.356 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014406394 650448966 /nfs/dbraw/zinc/44/89/66/650448966.db2.gz KEHCITMEEVNPSB-GFCCVEGCSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014406394 650448967 /nfs/dbraw/zinc/44/89/67/650448967.db2.gz KEHCITMEEVNPSB-GFCCVEGCSA-N 1 2 282.775 0.906 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016234444 639205872 /nfs/dbraw/zinc/20/58/72/639205872.db2.gz UZTOSVWLFKYGQH-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016234444 639205881 /nfs/dbraw/zinc/20/58/81/639205881.db2.gz UZTOSVWLFKYGQH-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CCN(CC#N)CC2 ZINC001016931774 640221727 /nfs/dbraw/zinc/22/17/27/640221727.db2.gz WBELNPBZGRIJNG-ZDUSSCGKSA-N 1 2 287.367 0.457 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1ncnc2c1cnn2C ZINC000755645219 640331298 /nfs/dbraw/zinc/33/12/98/640331298.db2.gz RHSVLMQOUBWLTD-UHFFFAOYSA-N 1 2 256.273 0.543 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000809881127 640908541 /nfs/dbraw/zinc/90/85/41/640908541.db2.gz XTGZRDQKKMACPL-UHFFFAOYSA-N 1 2 259.273 0.347 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133335 640927556 /nfs/dbraw/zinc/92/75/56/640927556.db2.gz IIDHHPZVWSJCBF-LLVKDONJSA-N 1 2 281.747 0.813 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133335 640927560 /nfs/dbraw/zinc/92/75/60/640927560.db2.gz IIDHHPZVWSJCBF-LLVKDONJSA-N 1 2 281.747 0.813 20 30 CCEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2cnc(N(C)C)n2C)n1 ZINC000811628674 640983353 /nfs/dbraw/zinc/98/33/53/640983353.db2.gz IBWVCEMKZDVJJK-UHFFFAOYSA-N 1 2 275.316 0.736 20 30 CCEDLO Cn1cc[nH+]c1NN=Cc1ccc(S(N)(=O)=O)cc1 ZINC000811649824 640984431 /nfs/dbraw/zinc/98/44/31/640984431.db2.gz YQTAYVSYWIADHI-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001015787702 650629313 /nfs/dbraw/zinc/62/93/13/650629313.db2.gz ZYBUSEYTAKSIFQ-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001015787702 650629314 /nfs/dbraw/zinc/62/93/14/650629314.db2.gz ZYBUSEYTAKSIFQ-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(O)C2=O)c[nH+]1 ZINC000820127337 641462073 /nfs/dbraw/zinc/46/20/73/641462073.db2.gz LNEBAERMSRSNPQ-SECBINFHSA-N 1 2 266.301 0.033 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826702050 641952834 /nfs/dbraw/zinc/95/28/34/641952834.db2.gz BSUHDDTZLFKGNV-LBPRGKRZSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826702050 641952837 /nfs/dbraw/zinc/95/28/37/641952837.db2.gz BSUHDDTZLFKGNV-LBPRGKRZSA-N 1 2 289.335 0.315 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C=O)CC3)n2c1 ZINC000827872512 642047014 /nfs/dbraw/zinc/04/70/14/642047014.db2.gz WKFOLXBDCBZNJF-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C=O)CC3)n2c1 ZINC000827872512 642047017 /nfs/dbraw/zinc/04/70/17/642047017.db2.gz WKFOLXBDCBZNJF-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO Cc1ccc(F)c2c1NC(=O)C2=NNC1=[NH+]CCN1 ZINC000841658515 642829148 /nfs/dbraw/zinc/82/91/48/642829148.db2.gz DXGSVLBNBUQQAT-UHFFFAOYSA-N 1 2 261.260 0.339 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)o1 ZINC001017527214 650809420 /nfs/dbraw/zinc/80/94/20/650809420.db2.gz AAQTYFCRFFYMQX-TXEJJXNPSA-N 1 2 274.324 0.229 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)o1 ZINC001017527214 650809423 /nfs/dbraw/zinc/80/94/23/650809423.db2.gz AAQTYFCRFFYMQX-TXEJJXNPSA-N 1 2 274.324 0.229 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542824 650809888 /nfs/dbraw/zinc/80/98/88/650809888.db2.gz LKMHIQIIWFQQQU-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542824 650809890 /nfs/dbraw/zinc/80/98/90/650809890.db2.gz LKMHIQIIWFQQQU-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC(=O)CC1 ZINC001017765661 650820573 /nfs/dbraw/zinc/82/05/73/650820573.db2.gz KZHZMPJRAQQDLX-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC(=O)CC1 ZINC001017765661 650820578 /nfs/dbraw/zinc/82/05/78/650820578.db2.gz KZHZMPJRAQQDLX-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C(N)=O)c1 ZINC001017762171 650820888 /nfs/dbraw/zinc/82/08/88/650820888.db2.gz XBJSGPJLZFHAIT-TXEJJXNPSA-N 1 2 289.335 0.853 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C(N)=O)c1 ZINC001017762171 650820890 /nfs/dbraw/zinc/82/08/90/650820890.db2.gz XBJSGPJLZFHAIT-TXEJJXNPSA-N 1 2 289.335 0.853 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000846955058 643475143 /nfs/dbraw/zinc/47/51/43/643475143.db2.gz LBGSSGCHXIEDKU-LBPRGKRZSA-N 1 2 291.351 0.530 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018631954 650887160 /nfs/dbraw/zinc/88/71/60/650887160.db2.gz KPDWGJYMZSIQNG-BDAKNGLRSA-N 1 2 265.342 0.388 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730406 644254469 /nfs/dbraw/zinc/25/44/69/644254469.db2.gz KKAUXTJELPGRQG-AWEZNQCLSA-N 1 2 262.353 0.723 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860165326 644778218 /nfs/dbraw/zinc/77/82/18/644778218.db2.gz PCQYBAWFHGZVMA-UPJWGTAASA-N 1 2 285.303 0.189 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860165326 644778223 /nfs/dbraw/zinc/77/82/23/644778223.db2.gz PCQYBAWFHGZVMA-UPJWGTAASA-N 1 2 285.303 0.189 20 30 CCEDLO N#C[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CCSC1 ZINC000865078451 645320772 /nfs/dbraw/zinc/32/07/72/645320772.db2.gz WQHWVTWASHOWBB-UIIMQBOASA-N 1 2 281.381 0.390 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001020179343 651047392 /nfs/dbraw/zinc/04/73/92/651047392.db2.gz XYEXUMAYGAHSQU-HAQNSBGRSA-N 1 2 287.367 0.522 20 30 CCEDLO N#CC1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000870066932 645956664 /nfs/dbraw/zinc/95/66/64/645956664.db2.gz IIMFAQUPLDOSBB-ZDUSSCGKSA-N 1 2 293.367 0.240 20 30 CCEDLO N#CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000875540620 646537648 /nfs/dbraw/zinc/53/76/48/646537648.db2.gz DIKRSNRUPHEMEE-UHFFFAOYSA-N 1 2 288.355 0.260 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884250256 647681380 /nfs/dbraw/zinc/68/13/80/647681380.db2.gz AKNBZKOXUFIRMT-OTMMVIPVSA-N 1 2 273.340 0.303 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886146835 647907542 /nfs/dbraw/zinc/90/75/42/647907542.db2.gz DAGZKGKTQMAZTR-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886146835 647907550 /nfs/dbraw/zinc/90/75/50/647907550.db2.gz DAGZKGKTQMAZTR-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232188 647927826 /nfs/dbraw/zinc/92/78/26/647927826.db2.gz RRBPEXSVJSDWSI-QWRGUYRKSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232188 647927827 /nfs/dbraw/zinc/92/78/27/647927827.db2.gz RRBPEXSVJSDWSI-QWRGUYRKSA-N 1 2 251.330 0.252 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680823 647997226 /nfs/dbraw/zinc/99/72/26/647997226.db2.gz MYCKPHPKRPOIHP-LLVKDONJSA-N 1 2 259.313 0.296 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680823 647997234 /nfs/dbraw/zinc/99/72/34/647997234.db2.gz MYCKPHPKRPOIHP-LLVKDONJSA-N 1 2 259.313 0.296 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000932109979 649049879 /nfs/dbraw/zinc/04/98/79/649049879.db2.gz KSSOYNYNIHFFLN-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000932109979 649049880 /nfs/dbraw/zinc/04/98/80/649049880.db2.gz KSSOYNYNIHFFLN-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000192106873 649498669 /nfs/dbraw/zinc/49/86/69/649498669.db2.gz RQAQLDWCQUFSHA-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007261024 649726826 /nfs/dbraw/zinc/72/68/26/649726826.db2.gz PEOWJSGMVUGSDS-UWVGGRQHSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007261024 649726828 /nfs/dbraw/zinc/72/68/28/649726828.db2.gz PEOWJSGMVUGSDS-UWVGGRQHSA-N 1 2 287.747 0.428 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC001230639741 805639862 /nfs/dbraw/zinc/63/98/62/805639862.db2.gz YQTXMLFCZFPWJV-ZDUSSCGKSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC001230639741 805639865 /nfs/dbraw/zinc/63/98/65/805639865.db2.gz YQTXMLFCZFPWJV-ZDUSSCGKSA-N 1 2 288.351 0.273 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cncn1C ZINC001266275145 790379760 /nfs/dbraw/zinc/37/97/60/790379760.db2.gz OVAVSUFLQNWDSW-LBPRGKRZSA-N 1 2 278.356 0.006 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001266275145 790379769 /nfs/dbraw/zinc/37/97/69/790379769.db2.gz OVAVSUFLQNWDSW-LBPRGKRZSA-N 1 2 278.356 0.006 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)CSC)CC1 ZINC001266281276 790390316 /nfs/dbraw/zinc/39/03/16/790390316.db2.gz KQNLHAQAUDERLX-CQSZACIVSA-N 1 2 297.468 0.743 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CCCCOC)CC1 ZINC001266281450 790391133 /nfs/dbraw/zinc/39/11/33/790391133.db2.gz OTQZABCUDVZZSG-UHFFFAOYSA-N 1 2 281.400 0.170 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC001039025119 790400574 /nfs/dbraw/zinc/40/05/74/790400574.db2.gz HZXLGRSBBUNXFC-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC001039025119 790400581 /nfs/dbraw/zinc/40/05/81/790400581.db2.gz HZXLGRSBBUNXFC-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(C)CC(=C)C1 ZINC001266323559 790506599 /nfs/dbraw/zinc/50/65/99/790506599.db2.gz GUJUJYHRVKLTGF-UHFFFAOYSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C)CC(=C)C1 ZINC001266323559 790506602 /nfs/dbraw/zinc/50/66/02/790506602.db2.gz GUJUJYHRVKLTGF-UHFFFAOYSA-N 1 2 277.368 0.140 20 30 CCEDLO O=C(NCC#CCO)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000923771677 790613167 /nfs/dbraw/zinc/61/31/67/790613167.db2.gz VWEFCMFQUYRANQ-CYBMUJFWSA-N 1 2 275.308 0.240 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001266449833 790732037 /nfs/dbraw/zinc/73/20/37/790732037.db2.gz DHUXEWULQCRXSU-CYBMUJFWSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001266449833 790732038 /nfs/dbraw/zinc/73/20/38/790732038.db2.gz DHUXEWULQCRXSU-CYBMUJFWSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001266454012 790746723 /nfs/dbraw/zinc/74/67/23/790746723.db2.gz OMGHMSRAUZOIEL-ZDUSSCGKSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001266454012 790746730 /nfs/dbraw/zinc/74/67/30/790746730.db2.gz OMGHMSRAUZOIEL-ZDUSSCGKSA-N 1 2 279.340 0.958 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001266477989 790773299 /nfs/dbraw/zinc/77/32/99/790773299.db2.gz YGFIIGXBFWZONL-JSGCOSHPSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001266477989 790773303 /nfs/dbraw/zinc/77/33/03/790773303.db2.gz YGFIIGXBFWZONL-JSGCOSHPSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230802616 805669890 /nfs/dbraw/zinc/66/98/90/805669890.db2.gz KELGBGPCJJVOQJ-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230802616 805669893 /nfs/dbraw/zinc/66/98/93/805669893.db2.gz KELGBGPCJJVOQJ-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024671 805710961 /nfs/dbraw/zinc/71/09/61/805710961.db2.gz GGSDSKJEPVIAMU-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024671 805710965 /nfs/dbraw/zinc/71/09/65/805710965.db2.gz GGSDSKJEPVIAMU-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C ZINC001231071000 805723017 /nfs/dbraw/zinc/72/30/17/805723017.db2.gz SNCDQICTBFUVIB-CYBMUJFWSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C ZINC001231071000 805723021 /nfs/dbraw/zinc/72/30/21/805723021.db2.gz SNCDQICTBFUVIB-CYBMUJFWSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCOC1 ZINC001231103247 805728869 /nfs/dbraw/zinc/72/88/69/805728869.db2.gz OGUSWUJZJZAVMK-HUUCEWRRSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCOC1 ZINC001231103247 805728876 /nfs/dbraw/zinc/72/88/76/805728876.db2.gz OGUSWUJZJZAVMK-HUUCEWRRSA-N 1 2 294.395 0.596 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231233611 805756987 /nfs/dbraw/zinc/75/69/87/805756987.db2.gz LRCOSOJLTORPHV-AWEZNQCLSA-N 1 2 280.368 0.372 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231233611 805756992 /nfs/dbraw/zinc/75/69/92/805756992.db2.gz LRCOSOJLTORPHV-AWEZNQCLSA-N 1 2 280.368 0.372 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001231240440 805757194 /nfs/dbraw/zinc/75/71/94/805757194.db2.gz KGTUVGSNDALASL-OLZOCXBDSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001231240440 805757201 /nfs/dbraw/zinc/75/72/01/805757201.db2.gz KGTUVGSNDALASL-OLZOCXBDSA-N 1 2 297.399 0.198 20 30 CCEDLO COCCOCC[NH+]1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001277594164 805877108 /nfs/dbraw/zinc/87/71/08/805877108.db2.gz UGAWXWKBNZEVLG-UHFFFAOYSA-N 1 2 282.384 0.451 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232481611 805946023 /nfs/dbraw/zinc/94/60/23/805946023.db2.gz GYGZXTLOAKJBHM-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001232679075 805969561 /nfs/dbraw/zinc/96/95/61/805969561.db2.gz ZNJOBHCUTSQVKN-AAEUAGOBSA-N 1 2 271.320 0.832 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001232679075 805969566 /nfs/dbraw/zinc/96/95/66/805969566.db2.gz ZNJOBHCUTSQVKN-AAEUAGOBSA-N 1 2 271.320 0.832 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266853904 791291847 /nfs/dbraw/zinc/29/18/47/791291847.db2.gz WBFAINFZWFCFFI-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266853904 791291854 /nfs/dbraw/zinc/29/18/54/791291854.db2.gz WBFAINFZWFCFFI-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO C[N@H+](CCNC(=O)CCC1CCCC1)CC(=O)NCC#N ZINC001267183721 791633353 /nfs/dbraw/zinc/63/33/53/791633353.db2.gz ZVJMJOQKJFQLBK-UHFFFAOYSA-N 1 2 294.399 0.645 20 30 CCEDLO C[N@@H+](CCNC(=O)CCC1CCCC1)CC(=O)NCC#N ZINC001267183721 791633356 /nfs/dbraw/zinc/63/33/56/791633356.db2.gz ZVJMJOQKJFQLBK-UHFFFAOYSA-N 1 2 294.399 0.645 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001233731540 806110853 /nfs/dbraw/zinc/11/08/53/806110853.db2.gz NNIMGXGMDZGBRY-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001233731540 806110856 /nfs/dbraw/zinc/11/08/56/806110856.db2.gz NNIMGXGMDZGBRY-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001233819641 806127114 /nfs/dbraw/zinc/12/71/14/806127114.db2.gz NRVIZBDGUXPBIH-RNZFLTOJSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001233819641 806127118 /nfs/dbraw/zinc/12/71/18/806127118.db2.gz NRVIZBDGUXPBIH-RNZFLTOJSA-N 1 2 297.786 0.411 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233977778 806160368 /nfs/dbraw/zinc/16/03/68/806160368.db2.gz PDDUFLWUBUSVLF-AAEUAGOBSA-N 1 2 258.337 0.816 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233977778 806160371 /nfs/dbraw/zinc/16/03/71/806160371.db2.gz PDDUFLWUBUSVLF-AAEUAGOBSA-N 1 2 258.337 0.816 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214845 806204564 /nfs/dbraw/zinc/20/45/64/806204564.db2.gz FKLKUVVXPVKCNV-QWHCGFSZSA-N 1 2 293.411 0.833 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214845 806204573 /nfs/dbraw/zinc/20/45/73/806204573.db2.gz FKLKUVVXPVKCNV-QWHCGFSZSA-N 1 2 293.411 0.833 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216633 806204982 /nfs/dbraw/zinc/20/49/82/806204982.db2.gz ZKJSQGJHJQGZEF-STQMWFEESA-N 1 2 293.411 0.703 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216633 806204989 /nfs/dbraw/zinc/20/49/89/806204989.db2.gz ZKJSQGJHJQGZEF-STQMWFEESA-N 1 2 293.411 0.703 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100620663 793240983 /nfs/dbraw/zinc/24/09/83/793240983.db2.gz SWPGREGTPGWXME-LBPRGKRZSA-N 1 2 290.367 0.766 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001234595361 806282781 /nfs/dbraw/zinc/28/27/81/806282781.db2.gz QZGPMCAADLMNBO-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001234595361 806282788 /nfs/dbraw/zinc/28/27/88/806282788.db2.gz QZGPMCAADLMNBO-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC001235451483 806424294 /nfs/dbraw/zinc/42/42/94/806424294.db2.gz KJPDWJZBVXKTOZ-NSHDSACASA-N 1 2 280.376 0.675 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC001235451483 806424303 /nfs/dbraw/zinc/42/43/03/806424303.db2.gz KJPDWJZBVXKTOZ-NSHDSACASA-N 1 2 280.376 0.675 20 30 CCEDLO CC(C)(C)n1ncc(C#N)c1NS(=O)(=O)CC[NH3+] ZINC001237481200 806673783 /nfs/dbraw/zinc/67/37/83/806673783.db2.gz SUXMUYBSWBBCRO-UHFFFAOYSA-N 1 2 271.346 0.210 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121405906 799042087 /nfs/dbraw/zinc/04/20/87/799042087.db2.gz QPVJHSCJEHDYSZ-FZMZJTMJSA-N 1 2 294.355 0.001 20 30 CCEDLO CC[NH+]1CC2(C1)CC[C@H](C(=O)N1CC(CC#N)C1)O2 ZINC001278169626 806735622 /nfs/dbraw/zinc/73/56/22/806735622.db2.gz WFTUQDPYTCCKJO-GFCCVEGCSA-N 1 2 263.341 0.612 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202903923 799790261 /nfs/dbraw/zinc/79/02/61/799790261.db2.gz RRHGIJPTOYCPIV-LLVKDONJSA-N 1 2 267.329 0.205 20 30 CCEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@H](C(N)=O)C3)c[nH]c21 ZINC001139706515 799832797 /nfs/dbraw/zinc/83/27/97/799832797.db2.gz XGZFVXOXFSQEAZ-ZDUSSCGKSA-N 1 2 284.319 0.726 20 30 CCEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@H](C(N)=O)C3)c[nH]c21 ZINC001139706515 799832800 /nfs/dbraw/zinc/83/28/00/799832800.db2.gz XGZFVXOXFSQEAZ-ZDUSSCGKSA-N 1 2 284.319 0.726 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001278246509 806789316 /nfs/dbraw/zinc/78/93/16/806789316.db2.gz FSNUCLAMZNBZCA-WBMJQRKESA-N 1 2 299.378 0.947 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc3c[nH]nc3cn2)CC1 ZINC001153259386 800615682 /nfs/dbraw/zinc/61/56/82/800615682.db2.gz OWBXDHLKYOMGON-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(Cl)c2C#N)C[NH2+]1 ZINC001156243504 801138761 /nfs/dbraw/zinc/13/87/61/801138761.db2.gz XMUCVLWIHSFIFR-XVKPBYJWSA-N 1 2 280.715 0.922 20 30 CCEDLO CON(C)C(=O)c1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156333025 801151850 /nfs/dbraw/zinc/15/18/50/801151850.db2.gz SUSVTLMQXXJTFS-NSHDSACASA-N 1 2 275.312 0.017 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(Cl)c1C#N ZINC001157770074 801476569 /nfs/dbraw/zinc/47/65/69/801476569.db2.gz FGGMVOZDRHTGHH-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(Cl)c1C#N ZINC001157770074 801476572 /nfs/dbraw/zinc/47/65/72/801476572.db2.gz FGGMVOZDRHTGHH-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C#N)c2F)C[NH2+]1 ZINC001158254381 801605855 /nfs/dbraw/zinc/60/58/55/801605855.db2.gz BHINDELALVPIBM-BDAKNGLRSA-N 1 2 264.260 0.408 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NCCCNCC#N)c[nH+]1 ZINC001160820802 802022575 /nfs/dbraw/zinc/02/25/75/802022575.db2.gz VVMPVIXNPRSERC-UHFFFAOYSA-N 1 2 263.345 0.546 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)nc(C)c1C#N ZINC001161950376 802256564 /nfs/dbraw/zinc/25/65/64/802256564.db2.gz NTYOTVUEKCREAJ-MRVPVSSYSA-N 1 2 283.719 0.034 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)cc(C#N)n2)C1 ZINC001162680800 802389646 /nfs/dbraw/zinc/38/96/46/802389646.db2.gz PVSIDGPLPZLWLK-SECBINFHSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)cc(C#N)n2)C1 ZINC001162680800 802389651 /nfs/dbraw/zinc/38/96/51/802389651.db2.gz PVSIDGPLPZLWLK-SECBINFHSA-N 1 2 267.720 0.744 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163855542 802625870 /nfs/dbraw/zinc/62/58/70/802625870.db2.gz HDNGQZAIXXRJOC-UHFFFAOYSA-N 1 2 280.376 0.408 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cnc3ccc(C#N)cc3n2)C[NH2+]1 ZINC001164306902 802715425 /nfs/dbraw/zinc/71/54/25/802715425.db2.gz PTDCZFZOXIHNFF-GWCFXTLKSA-N 1 2 297.318 0.817 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)c(C)cn2)C[NH2+]1 ZINC001164307423 802717425 /nfs/dbraw/zinc/71/74/25/802717425.db2.gz ZDTNCYZJFCNBDE-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO Cn1c(=O)ccc2ccc(N3CC[NH2+]C[C@H]3C#N)nc21 ZINC001164652951 802776830 /nfs/dbraw/zinc/77/68/30/802776830.db2.gz VYXUCXKOMWQUFT-LLVKDONJSA-N 1 2 269.308 0.235 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(NC(N)=S)cn1 ZINC001164662197 802777382 /nfs/dbraw/zinc/77/73/82/802777382.db2.gz SLSJJPOUKSNRSX-SECBINFHSA-N 1 2 262.342 0.039 20 30 CCEDLO N#Cc1cnc2cc[nH]c(N3CC[NH+](CC(N)=O)CC3)c1-2 ZINC001165155813 802793006 /nfs/dbraw/zinc/79/30/06/802793006.db2.gz XPVRSRFJUNTBNV-UHFFFAOYSA-N 1 2 284.323 0.042 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083296036 811804018 /nfs/dbraw/zinc/80/40/18/811804018.db2.gz ZEEGXBAFIUOPIV-KGLIPLIRSA-N 1 2 259.309 0.239 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083296036 811804024 /nfs/dbraw/zinc/80/40/24/811804024.db2.gz ZEEGXBAFIUOPIV-KGLIPLIRSA-N 1 2 259.309 0.239 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001276439954 803064127 /nfs/dbraw/zinc/06/41/27/803064127.db2.gz NHMLTXLLLFVANB-JTQLQIEISA-N 1 2 288.413 0.432 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COC[C@@H]1CCCO1 ZINC001269355891 813336164 /nfs/dbraw/zinc/33/61/64/813336164.db2.gz KJINCGGXOSIBDD-KBPBESRZSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COC[C@@H]1CCCO1 ZINC001269355891 813336171 /nfs/dbraw/zinc/33/61/71/813336171.db2.gz KJINCGGXOSIBDD-KBPBESRZSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213230206 803687184 /nfs/dbraw/zinc/68/71/84/803687184.db2.gz JKMPQNOLCPLYMY-MCIONIFRSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213230206 803687186 /nfs/dbraw/zinc/68/71/86/803687186.db2.gz JKMPQNOLCPLYMY-MCIONIFRSA-N 1 2 280.368 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@H](OC)C1 ZINC001213303037 803689873 /nfs/dbraw/zinc/68/98/73/803689873.db2.gz DDXUWGMLYYMNBC-JHJVBQTASA-N 1 2 270.348 0.819 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@H](OC)C1 ZINC001213303037 803689875 /nfs/dbraw/zinc/68/98/75/803689875.db2.gz DDXUWGMLYYMNBC-JHJVBQTASA-N 1 2 270.348 0.819 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCF)[C@H]2C1 ZINC001218482083 803961254 /nfs/dbraw/zinc/96/12/54/803961254.db2.gz WSXAIUPWKUGKPD-NWDGAFQWSA-N 1 2 254.305 0.281 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCF)[C@H]2C1 ZINC001218482083 803961260 /nfs/dbraw/zinc/96/12/60/803961260.db2.gz WSXAIUPWKUGKPD-NWDGAFQWSA-N 1 2 254.305 0.281 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1nc(Br)ccc1O ZINC001218512796 803978553 /nfs/dbraw/zinc/97/85/53/803978553.db2.gz ADCHRRWABSWHSZ-JTQLQIEISA-N 1 2 284.113 0.839 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)[C@H](OC)C1 ZINC001212060260 814986686 /nfs/dbraw/zinc/98/66/86/814986686.db2.gz SPSNROCRRAMRLY-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC2CC2)[C@H](OC)C1 ZINC001212060260 814986692 /nfs/dbraw/zinc/98/66/92/814986692.db2.gz SPSNROCRRAMRLY-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1 ZINC001218871856 804143665 /nfs/dbraw/zinc/14/36/65/804143665.db2.gz VHJZRUFSWCNRIR-KWQFWETISA-N 1 2 285.311 0.335 20 30 CCEDLO COc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1C#N ZINC001218978125 804171093 /nfs/dbraw/zinc/17/10/93/804171093.db2.gz LUQRHGMGMNRLMB-NSHDSACASA-N 1 2 261.281 0.494 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(CC#N)c1 ZINC001219518268 804333262 /nfs/dbraw/zinc/33/32/62/804333262.db2.gz DJZYHCSMYMMSDJ-NSHDSACASA-N 1 2 279.271 0.721 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001219715552 804412670 /nfs/dbraw/zinc/41/26/70/804412670.db2.gz DIUWVMLOGKEOTP-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001219715552 804412678 /nfs/dbraw/zinc/41/26/78/804412678.db2.gz DIUWVMLOGKEOTP-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001219715552 804412681 /nfs/dbraw/zinc/41/26/81/804412681.db2.gz DIUWVMLOGKEOTP-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H](O)C1 ZINC001220123840 804499308 /nfs/dbraw/zinc/49/93/08/804499308.db2.gz NLGZCDKTTCQBSW-NEPJUHHUSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H](O)C1 ZINC001220123840 804499314 /nfs/dbraw/zinc/49/93/14/804499314.db2.gz NLGZCDKTTCQBSW-NEPJUHHUSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@@H](O)C1 ZINC001220214673 804539769 /nfs/dbraw/zinc/53/97/69/804539769.db2.gz KDKCOHHQRYYSJS-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@@H](O)C1 ZINC001220214673 804539773 /nfs/dbraw/zinc/53/97/73/804539773.db2.gz KDKCOHHQRYYSJS-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001221276803 804763919 /nfs/dbraw/zinc/76/39/19/804763919.db2.gz MIXZZIKVQNTKAR-MGPQQGTHSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001221276803 804763922 /nfs/dbraw/zinc/76/39/22/804763922.db2.gz MIXZZIKVQNTKAR-MGPQQGTHSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276833861 804929568 /nfs/dbraw/zinc/92/95/68/804929568.db2.gz HBFKOSAFJHBOAG-KGLIPLIRSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276833861 804929573 /nfs/dbraw/zinc/92/95/73/804929573.db2.gz HBFKOSAFJHBOAG-KGLIPLIRSA-N 1 2 291.395 0.649 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001276893069 804974533 /nfs/dbraw/zinc/97/45/33/804974533.db2.gz WRJIRDZCCOHMOF-KBPBESRZSA-N 1 2 290.367 0.321 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001276893069 804974536 /nfs/dbraw/zinc/97/45/36/804974536.db2.gz WRJIRDZCCOHMOF-KBPBESRZSA-N 1 2 290.367 0.321 20 30 CCEDLO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)CC ZINC001276981027 805055016 /nfs/dbraw/zinc/05/50/16/805055016.db2.gz YSAFTUDHVKBBBT-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)CC ZINC001276981027 805055022 /nfs/dbraw/zinc/05/50/22/805055022.db2.gz YSAFTUDHVKBBBT-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001225275675 805119120 /nfs/dbraw/zinc/11/91/20/805119120.db2.gz POHPSGLOWKHTMU-VXGBXAGGSA-N 1 2 292.387 0.693 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nn1 ZINC001226572406 805250001 /nfs/dbraw/zinc/25/00/01/805250001.db2.gz AZLNUFDCAOIHRG-PINQPDRWSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nn1 ZINC001226572406 805250004 /nfs/dbraw/zinc/25/00/04/805250004.db2.gz AZLNUFDCAOIHRG-PINQPDRWSA-N 1 2 291.307 0.254 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4ncnn43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226602527 805253777 /nfs/dbraw/zinc/25/37/77/805253777.db2.gz WSQQQYGNXLTKGZ-ADAFDVPTSA-N 1 2 273.296 0.116 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4ncnn43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226602527 805253784 /nfs/dbraw/zinc/25/37/84/805253784.db2.gz WSQQQYGNXLTKGZ-ADAFDVPTSA-N 1 2 273.296 0.116 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227342296 805342535 /nfs/dbraw/zinc/34/25/35/805342535.db2.gz MDPKVBJPYMMHNM-GFCCVEGCSA-N 1 2 291.351 0.794 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc[nH]cc-4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227870812 805397655 /nfs/dbraw/zinc/39/76/55/805397655.db2.gz ZNYHIBJGXHXNHP-ROHLRWBXSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc[nH]cc-4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227870812 805397663 /nfs/dbraw/zinc/39/76/63/805397663.db2.gz ZNYHIBJGXHXNHP-ROHLRWBXSA-N 1 2 272.308 0.949 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ncn1 ZINC001228756248 805475849 /nfs/dbraw/zinc/47/58/49/805475849.db2.gz HDFIWOAUIYJVAJ-PINQPDRWSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ncn1 ZINC001228756248 805475854 /nfs/dbraw/zinc/47/58/54/805475854.db2.gz HDFIWOAUIYJVAJ-PINQPDRWSA-N 1 2 291.307 0.254 20 30 CCEDLO CCCCN(CC#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251021457 807643541 /nfs/dbraw/zinc/64/35/41/807643541.db2.gz MFFAJQRDOPMVKP-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001251885074 807733732 /nfs/dbraw/zinc/73/37/32/807733732.db2.gz NGBZOBKBYBMLDH-IHRRRGAJSA-N 1 2 283.368 0.731 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001251894175 807738700 /nfs/dbraw/zinc/73/87/00/807738700.db2.gz PVUFDIFIFAIXRO-OLZOCXBDSA-N 1 2 269.341 0.319 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252599637 807917796 /nfs/dbraw/zinc/91/77/96/807917796.db2.gz DDHNHKRPCSGLPV-UPJWGTAASA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252599637 807917800 /nfs/dbraw/zinc/91/78/00/807917800.db2.gz DDHNHKRPCSGLPV-UPJWGTAASA-N 1 2 299.367 0.740 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](O)C1 ZINC001083493226 815160396 /nfs/dbraw/zinc/16/03/96/815160396.db2.gz OJWHZSNDRCYNSA-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](O)C1 ZINC001083493226 815160399 /nfs/dbraw/zinc/16/03/99/815160399.db2.gz OJWHZSNDRCYNSA-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C=CC[C@@](C)([NH2+]CC1(O)CCOCC1)C(=O)OC ZINC001252980518 807999501 /nfs/dbraw/zinc/99/95/01/807999501.db2.gz RDBRDOFDVHAEPT-GFCCVEGCSA-N 1 2 257.330 0.625 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001253580541 808087813 /nfs/dbraw/zinc/08/78/13/808087813.db2.gz CRXIXQHJQOWQPR-SNVBAGLBSA-N 1 2 279.340 0.718 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001253580541 808087821 /nfs/dbraw/zinc/08/78/21/808087821.db2.gz CRXIXQHJQOWQPR-SNVBAGLBSA-N 1 2 279.340 0.718 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)C(C)C ZINC001253758964 808133433 /nfs/dbraw/zinc/13/34/33/808133433.db2.gz DDAFBVDZURLKAP-UONOGXRCSA-N 1 2 294.399 0.934 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)C(C)C ZINC001253758964 808133434 /nfs/dbraw/zinc/13/34/34/808133434.db2.gz DDAFBVDZURLKAP-UONOGXRCSA-N 1 2 294.399 0.934 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnsn1 ZINC001278751219 808164113 /nfs/dbraw/zinc/16/41/13/808164113.db2.gz XOQRWMRNDAEYLZ-GFCCVEGCSA-N 1 2 296.396 0.251 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H](O)C1 ZINC001083514825 815195531 /nfs/dbraw/zinc/19/55/31/815195531.db2.gz YUZJOGMSRPBCIA-OLZOCXBDSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H](O)C1 ZINC001083514825 815195535 /nfs/dbraw/zinc/19/55/35/815195535.db2.gz YUZJOGMSRPBCIA-OLZOCXBDSA-N 1 2 273.336 0.300 20 30 CCEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001255202649 808329978 /nfs/dbraw/zinc/32/99/78/808329978.db2.gz GPXWDPGEEGTPLH-CRWXNKLISA-N 1 2 292.383 0.936 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001256605298 808539627 /nfs/dbraw/zinc/53/96/27/808539627.db2.gz YWFDHQUJDWGTIN-JQWIXIFHSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001256605298 808539631 /nfs/dbraw/zinc/53/96/31/808539631.db2.gz YWFDHQUJDWGTIN-JQWIXIFHSA-N 1 2 266.341 0.705 20 30 CCEDLO COC(=O)CC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001256983696 808575463 /nfs/dbraw/zinc/57/54/63/808575463.db2.gz LGYAWADVFPTYCM-WXRRBKDZSA-N 1 2 265.357 0.906 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn(CC2(CC#N)CC2)nn1 ZINC001261566851 809021897 /nfs/dbraw/zinc/02/18/97/809021897.db2.gz FVTIEOMLHTYFCG-SNVBAGLBSA-N 1 2 263.301 0.015 20 30 CCEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CC[C@@H]2C1=O)[C@@H](C)COC ZINC001262051055 809173731 /nfs/dbraw/zinc/17/37/31/809173731.db2.gz CBKPAMSFEIPCRX-SDDRHHMPSA-N 1 2 266.341 0.862 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CC[C@@H]2C1=O)[C@@H](C)COC ZINC001262051055 809173736 /nfs/dbraw/zinc/17/37/36/809173736.db2.gz CBKPAMSFEIPCRX-SDDRHHMPSA-N 1 2 266.341 0.862 20 30 CCEDLO C[C@H](CC(=O)NC[C@H]1C[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001264433511 809657732 /nfs/dbraw/zinc/65/77/32/809657732.db2.gz FYJKXRYQPNRNSI-JHJVBQTASA-N 1 2 275.356 0.842 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001265206566 809723123 /nfs/dbraw/zinc/72/31/23/809723123.db2.gz XCQIEFKTFOVLLT-WTWVRAIASA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001265206566 809723126 /nfs/dbraw/zinc/72/31/26/809723126.db2.gz XCQIEFKTFOVLLT-WTWVRAIASA-N 1 2 291.395 0.673 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001265211315 809725254 /nfs/dbraw/zinc/72/52/54/809725254.db2.gz ULQLINRTDUUJLM-ZDUSSCGKSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001265211315 809725259 /nfs/dbraw/zinc/72/52/59/809725259.db2.gz ULQLINRTDUUJLM-ZDUSSCGKSA-N 1 2 291.351 0.827 20 30 CCEDLO CC#CCCCC(=O)NCC[NH+]1CCN(CC#CC)CC1 ZINC001265262968 809735152 /nfs/dbraw/zinc/73/51/52/809735152.db2.gz OIZZNSMGCZFOSV-UHFFFAOYSA-N 1 2 289.423 0.937 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397407 809771395 /nfs/dbraw/zinc/77/13/95/809771395.db2.gz YLASQKOXMSRBAC-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NCCC ZINC001265415215 809773774 /nfs/dbraw/zinc/77/37/74/809773774.db2.gz XFSAIIYYEQZSCJ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NCCC ZINC001265415215 809773777 /nfs/dbraw/zinc/77/37/77/809773777.db2.gz XFSAIIYYEQZSCJ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266216586 809965614 /nfs/dbraw/zinc/96/56/14/809965614.db2.gz TWQDBQKGFNYNKK-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266216586 809965617 /nfs/dbraw/zinc/96/56/17/809965617.db2.gz TWQDBQKGFNYNKK-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266240472 809970059 /nfs/dbraw/zinc/97/00/59/809970059.db2.gz WBGNLRVJHDSNEF-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266240472 809970062 /nfs/dbraw/zinc/97/00/62/809970062.db2.gz WBGNLRVJHDSNEF-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001266240472 809970067 /nfs/dbraw/zinc/97/00/67/809970067.db2.gz WBGNLRVJHDSNEF-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001266240472 809970069 /nfs/dbraw/zinc/97/00/69/809970069.db2.gz WBGNLRVJHDSNEF-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](COC)OC ZINC001280414666 810018116 /nfs/dbraw/zinc/01/81/16/810018116.db2.gz CNTSRRCWLJWTDV-OLZOCXBDSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](COC)OC ZINC001280414666 810018109 /nfs/dbraw/zinc/01/81/09/810018109.db2.gz CNTSRRCWLJWTDV-OLZOCXBDSA-N 1 2 286.372 0.041 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001076758067 815361662 /nfs/dbraw/zinc/36/16/62/815361662.db2.gz KYAHMXQAEAFNPY-TZMCWYRMSA-N 1 2 274.320 0.190 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001076758067 815361668 /nfs/dbraw/zinc/36/16/68/815361668.db2.gz KYAHMXQAEAFNPY-TZMCWYRMSA-N 1 2 274.320 0.190 20 30 CCEDLO CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(CC#N)C1 ZINC001267549763 811433123 /nfs/dbraw/zinc/43/31/23/811433123.db2.gz INHXLRIJPWPGLP-ZDUSSCGKSA-N 1 2 275.356 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001077237159 815465021 /nfs/dbraw/zinc/46/50/21/815465021.db2.gz AMPAKHDVDCHIIY-DNCHLWJUSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001077237159 815465025 /nfs/dbraw/zinc/46/50/25/815465025.db2.gz AMPAKHDVDCHIIY-DNCHLWJUSA-N 1 2 262.353 0.361 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001267679864 811644972 /nfs/dbraw/zinc/64/49/72/811644972.db2.gz WBDNMLKOXBDZMF-UHFFFAOYSA-N 1 2 258.749 0.990 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001077243982 815467943 /nfs/dbraw/zinc/46/79/43/815467943.db2.gz PFOPRXSULWZXGS-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001077243982 815467944 /nfs/dbraw/zinc/46/79/44/815467944.db2.gz PFOPRXSULWZXGS-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)C1 ZINC001267716431 811677421 /nfs/dbraw/zinc/67/74/21/811677421.db2.gz KLURBQNYMSWWPF-JTQLQIEISA-N 1 2 260.284 0.482 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)C(C)(F)F)C1 ZINC001267716431 811677428 /nfs/dbraw/zinc/67/74/28/811677428.db2.gz KLURBQNYMSWWPF-JTQLQIEISA-N 1 2 260.284 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001267731531 811699377 /nfs/dbraw/zinc/69/93/77/811699377.db2.gz GUSZWJIIDGDLDH-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001267731531 811699382 /nfs/dbraw/zinc/69/93/82/811699382.db2.gz GUSZWJIIDGDLDH-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCCCC1 ZINC001267735478 811704843 /nfs/dbraw/zinc/70/48/43/811704843.db2.gz WGPIQZYPUUQTQC-ZDUSSCGKSA-N 1 2 291.395 0.636 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCCCC1 ZINC001267735478 811704867 /nfs/dbraw/zinc/70/48/67/811704867.db2.gz WGPIQZYPUUQTQC-ZDUSSCGKSA-N 1 2 291.395 0.636 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083294701 811777403 /nfs/dbraw/zinc/77/74/03/811777403.db2.gz OSICXASJJLTZNP-CABCVRRESA-N 1 2 290.338 0.749 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083294701 811777409 /nfs/dbraw/zinc/77/74/09/811777409.db2.gz OSICXASJJLTZNP-CABCVRRESA-N 1 2 290.338 0.749 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3)C2)nn1 ZINC001105136913 811854470 /nfs/dbraw/zinc/85/44/70/811854470.db2.gz MEJPUNLYJGRHFU-UHFFFAOYSA-N 1 2 296.334 0.093 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC001267910006 811863327 /nfs/dbraw/zinc/86/33/27/811863327.db2.gz PFCMWCAXJABOPW-LLVKDONJSA-N 1 2 292.339 0.171 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC001267910006 811863335 /nfs/dbraw/zinc/86/33/35/811863335.db2.gz PFCMWCAXJABOPW-LLVKDONJSA-N 1 2 292.339 0.171 20 30 CCEDLO C[C@H](CC(=O)NC[C@H]1CN(CC#N)CCO1)n1cc[nH+]c1 ZINC001268027372 812008447 /nfs/dbraw/zinc/00/84/47/812008447.db2.gz VFXLXUIVZGCCFO-OLZOCXBDSA-N 1 2 291.355 0.175 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038759430 812053616 /nfs/dbraw/zinc/05/36/16/812053616.db2.gz COSAEGIARGGMGS-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038759430 812053625 /nfs/dbraw/zinc/05/36/25/812053625.db2.gz COSAEGIARGGMGS-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027858634 812100550 /nfs/dbraw/zinc/10/05/50/812100550.db2.gz FPAZDXIRWVEYBF-VHSXEESVSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027858634 812100551 /nfs/dbraw/zinc/10/05/51/812100551.db2.gz FPAZDXIRWVEYBF-VHSXEESVSA-N 1 2 287.747 0.428 20 30 CCEDLO COCCOCCOCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000125810237 812112753 /nfs/dbraw/zinc/11/27/53/812112753.db2.gz WOKORZFXAPZMPF-ZDUSSCGKSA-N 1 2 256.346 0.902 20 30 CCEDLO COCCOCCOCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000125810237 812112761 /nfs/dbraw/zinc/11/27/61/812112761.db2.gz WOKORZFXAPZMPF-ZDUSSCGKSA-N 1 2 256.346 0.902 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001268303577 812467441 /nfs/dbraw/zinc/46/74/41/812467441.db2.gz GCZBGBPQSGWDBW-PWSUYJOCSA-N 1 2 294.355 0.309 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038987664 812530164 /nfs/dbraw/zinc/53/01/64/812530164.db2.gz CVYZLMHDXUHERU-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038987664 812530168 /nfs/dbraw/zinc/53/01/68/812530168.db2.gz CVYZLMHDXUHERU-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@H](OC)C1 ZINC001212133794 815559109 /nfs/dbraw/zinc/55/91/09/815559109.db2.gz DUBSCKMSDKJXDI-JHJVBQTASA-N 1 2 284.425 0.967 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@H](OC)C1 ZINC001212133794 815559112 /nfs/dbraw/zinc/55/91/12/815559112.db2.gz DUBSCKMSDKJXDI-JHJVBQTASA-N 1 2 284.425 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H](C)OC ZINC001268939901 813150690 /nfs/dbraw/zinc/15/06/90/813150690.db2.gz VQUGAPRIKXNMOQ-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H](C)OC ZINC001268939901 813150694 /nfs/dbraw/zinc/15/06/94/813150694.db2.gz VQUGAPRIKXNMOQ-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO CN(C)CC[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCS)C2 ZINC001268960810 813162633 /nfs/dbraw/zinc/16/26/33/813162633.db2.gz DBEHWYJKLDZOJA-NEPJUHHUSA-N 1 2 271.430 0.401 20 30 CCEDLO CN(C)CC[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCS)C2 ZINC001268960810 813162636 /nfs/dbraw/zinc/16/26/36/813162636.db2.gz DBEHWYJKLDZOJA-NEPJUHHUSA-N 1 2 271.430 0.401 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269199877 813260371 /nfs/dbraw/zinc/26/03/71/813260371.db2.gz HDZGABUQKYIQRA-OLZOCXBDSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269199877 813260374 /nfs/dbraw/zinc/26/03/74/813260374.db2.gz HDZGABUQKYIQRA-OLZOCXBDSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269199879 813260859 /nfs/dbraw/zinc/26/08/59/813260859.db2.gz HDZGABUQKYIQRA-QWHCGFSZSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269199879 813260867 /nfs/dbraw/zinc/26/08/67/813260867.db2.gz HDZGABUQKYIQRA-QWHCGFSZSA-N 1 2 252.358 0.873 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)/C(C)=C/C)C1=O ZINC001269213549 813273229 /nfs/dbraw/zinc/27/32/29/813273229.db2.gz AZAINEIUMJJEPG-KYYFYTAESA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)/C(C)=C/C)C1=O ZINC001269213549 813273235 /nfs/dbraw/zinc/27/32/35/813273235.db2.gz AZAINEIUMJJEPG-KYYFYTAESA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001269229164 813278496 /nfs/dbraw/zinc/27/84/96/813278496.db2.gz DWVMFLXXJRUYSF-VXGBXAGGSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001269229164 813278503 /nfs/dbraw/zinc/27/85/03/813278503.db2.gz DWVMFLXXJRUYSF-VXGBXAGGSA-N 1 2 297.399 0.029 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001269331449 813328814 /nfs/dbraw/zinc/32/88/14/813328814.db2.gz KIPUHAWMWMMDML-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001269331449 813328822 /nfs/dbraw/zinc/32/88/22/813328822.db2.gz KIPUHAWMWMMDML-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001269755812 813493163 /nfs/dbraw/zinc/49/31/63/813493163.db2.gz YEMMARZODYRQHK-ZIAGYGMSSA-N 1 2 282.384 0.757 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038418023 813708088 /nfs/dbraw/zinc/70/80/88/813708088.db2.gz OUKWFPFHCFIEER-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859201 813979230 /nfs/dbraw/zinc/97/92/30/813979230.db2.gz ABTIXTKYWZKVJK-JHJVBQTASA-N 1 2 297.399 0.149 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859201 813979235 /nfs/dbraw/zinc/97/92/35/813979235.db2.gz ABTIXTKYWZKVJK-JHJVBQTASA-N 1 2 297.399 0.149 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001029244979 814014832 /nfs/dbraw/zinc/01/48/32/814014832.db2.gz NOGXDRUTUVFXHF-XQHKEYJVSA-N 1 2 292.383 0.298 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001029244979 814014837 /nfs/dbraw/zinc/01/48/37/814014837.db2.gz NOGXDRUTUVFXHF-XQHKEYJVSA-N 1 2 292.383 0.298 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413447 814029356 /nfs/dbraw/zinc/02/93/56/814029356.db2.gz OLFQJYYHAKCWKP-BIMULSAOSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413447 814029361 /nfs/dbraw/zinc/02/93/61/814029361.db2.gz OLFQJYYHAKCWKP-BIMULSAOSA-N 1 2 294.330 0.409 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CSCCC)C1 ZINC001271256279 814352819 /nfs/dbraw/zinc/35/28/19/814352819.db2.gz XGLDDBZTWPFVHY-UHFFFAOYSA-N 1 2 270.398 0.316 20 30 CCEDLO CN(C)CC[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC#N)C2 ZINC001271254694 814353659 /nfs/dbraw/zinc/35/36/59/814353659.db2.gz CGIZCINAWSXHAD-KGLIPLIRSA-N 1 2 278.400 0.775 20 30 CCEDLO CN(C)CC[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC#N)C2 ZINC001271254694 814353667 /nfs/dbraw/zinc/35/36/67/814353667.db2.gz CGIZCINAWSXHAD-KGLIPLIRSA-N 1 2 278.400 0.775 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccn2CC)C1 ZINC001271387749 814400382 /nfs/dbraw/zinc/40/03/82/814400382.db2.gz BOWMKJZNXMIITL-UHFFFAOYSA-N 1 2 275.352 0.308 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001038458118 814430644 /nfs/dbraw/zinc/43/06/44/814430644.db2.gz QRXAYUIVGXYBLE-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001038458118 814430654 /nfs/dbraw/zinc/43/06/54/814430654.db2.gz QRXAYUIVGXYBLE-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059697516 814730453 /nfs/dbraw/zinc/73/04/53/814730453.db2.gz NYJQBOQCXJPUKM-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001083666173 815636682 /nfs/dbraw/zinc/63/66/82/815636682.db2.gz JBJZOIPLSDDSOK-GEJOOGBSSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001083666173 815636685 /nfs/dbraw/zinc/63/66/85/815636685.db2.gz JBJZOIPLSDDSOK-GEJOOGBSSA-N 1 2 262.353 0.217 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001030147027 815834741 /nfs/dbraw/zinc/83/47/41/815834741.db2.gz AIFWMYXJYACELK-GHMZBOCLSA-N 1 2 252.314 0.172 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105806277 815857302 /nfs/dbraw/zinc/85/73/02/815857302.db2.gz TXONLYBCFUPEOW-SMDDNHRTSA-N 1 2 294.355 0.001 20 30 CCEDLO Cc1nc(NC[C@@H](O)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001105825396 815891164 /nfs/dbraw/zinc/89/11/64/815891164.db2.gz DRMZFBWUXUDHFA-GFCCVEGCSA-N 1 2 274.324 0.087 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1CC#N ZINC000947757608 815946369 /nfs/dbraw/zinc/94/63/69/815946369.db2.gz CIUUCOIYSMQMNM-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001030421475 816028849 /nfs/dbraw/zinc/02/88/49/816028849.db2.gz FMUCHGKWKWJXKU-ZIAGYGMSSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001030423489 816031103 /nfs/dbraw/zinc/03/11/03/816031103.db2.gz UDSOYZGRYXSMTG-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OC)C1 ZINC001030425820 816032107 /nfs/dbraw/zinc/03/21/07/816032107.db2.gz QTEKALWNAHYGKK-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001030465104 816050129 /nfs/dbraw/zinc/05/01/29/816050129.db2.gz UVLVUEJBFFLJPS-JQWIXIFHSA-N 1 2 254.330 0.167 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001077470346 816056611 /nfs/dbraw/zinc/05/66/11/816056611.db2.gz MLHCXTUHWPBSLJ-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001077470346 816056619 /nfs/dbraw/zinc/05/66/19/816056619.db2.gz MLHCXTUHWPBSLJ-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001030543189 816098594 /nfs/dbraw/zinc/09/85/94/816098594.db2.gz WKYBUCNVCPKTEY-UHFFFAOYSA-N 1 2 261.300 0.587 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001030554977 816103874 /nfs/dbraw/zinc/10/38/74/816103874.db2.gz QTHBPVFQFWFBBV-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(OC)ccn2)C1 ZINC001030778279 816285017 /nfs/dbraw/zinc/28/50/17/816285017.db2.gz DABONYAACURSDK-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001030821796 816319046 /nfs/dbraw/zinc/31/90/46/816319046.db2.gz MNPZGEMNSOFZFO-UHFFFAOYSA-N 1 2 262.313 0.481 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@@H](O)C1 ZINC001083693444 816437759 /nfs/dbraw/zinc/43/77/59/816437759.db2.gz IKROCHUXNCWOFW-NEPJUHHUSA-N 1 2 294.376 0.555 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@@H](O)C1 ZINC001083693444 816437766 /nfs/dbraw/zinc/43/77/66/816437766.db2.gz IKROCHUXNCWOFW-NEPJUHHUSA-N 1 2 294.376 0.555 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272482591 816475295 /nfs/dbraw/zinc/47/52/95/816475295.db2.gz SCLGNBIHUGCZOJ-QWHCGFSZSA-N 1 2 254.280 0.604 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272482591 816475297 /nfs/dbraw/zinc/47/52/97/816475297.db2.gz SCLGNBIHUGCZOJ-QWHCGFSZSA-N 1 2 254.280 0.604 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001030963009 816509627 /nfs/dbraw/zinc/50/96/27/816509627.db2.gz GRTHEKRPAVLTFC-CYBMUJFWSA-N 1 2 269.348 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001031028721 816579566 /nfs/dbraw/zinc/57/95/66/816579566.db2.gz TXARUTKUHAGBOB-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568330 816587847 /nfs/dbraw/zinc/58/78/47/816587847.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568330 816587850 /nfs/dbraw/zinc/58/78/50/816587850.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568330 816587857 /nfs/dbraw/zinc/58/78/57/816587857.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568330 816587863 /nfs/dbraw/zinc/58/78/63/816587863.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568330 816587869 /nfs/dbraw/zinc/58/78/69/816587869.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568330 816587875 /nfs/dbraw/zinc/58/78/75/816587875.db2.gz DBOWLUJQCFTTKX-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001031038847 816595754 /nfs/dbraw/zinc/59/57/54/816595754.db2.gz SYNTWOJDWMGNMN-NWDGAFQWSA-N 1 2 279.384 0.655 20 30 CCEDLO N#Cc1ccccc1CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145340 816699383 /nfs/dbraw/zinc/69/93/83/816699383.db2.gz UVVPBVZOIALPFE-UHFFFAOYSA-N 1 2 295.346 0.824 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699455492 816727695 /nfs/dbraw/zinc/72/76/95/816727695.db2.gz IOMYOOLMVXBCPK-CABCVRRESA-N 1 2 275.352 0.200 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699455492 816727699 /nfs/dbraw/zinc/72/76/99/816727699.db2.gz IOMYOOLMVXBCPK-CABCVRRESA-N 1 2 275.352 0.200 20 30 CCEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1cc[nH]c1)C2 ZINC001272644821 816922461 /nfs/dbraw/zinc/92/24/61/816922461.db2.gz TUVNBPUJOBKOBU-UHFFFAOYSA-N 1 2 288.351 0.732 20 30 CCEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C(C)C)C1 ZINC001031277773 816923344 /nfs/dbraw/zinc/92/33/44/816923344.db2.gz VZZIMGZNISUGCO-UHFFFAOYSA-N 1 2 273.336 0.916 20 30 CCEDLO CCN(CCNc1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829117 816940446 /nfs/dbraw/zinc/94/04/46/816940446.db2.gz CXAPIHLRTBLRPK-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001031319609 816975296 /nfs/dbraw/zinc/97/52/96/816975296.db2.gz YUFFEYUSNROJJC-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)n(C)nc2Cl)C1 ZINC001031320391 816977264 /nfs/dbraw/zinc/97/72/64/816977264.db2.gz KGGWHAUTIFWFLK-UHFFFAOYSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(F)CC2)[C@@H](O)C1 ZINC001083753252 816998730 /nfs/dbraw/zinc/99/87/30/816998730.db2.gz JCRAJPAFMRNIKC-TUUUFIMRSA-N 1 2 268.332 0.309 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(F)CC2)[C@@H](O)C1 ZINC001083753252 816998734 /nfs/dbraw/zinc/99/87/34/816998734.db2.gz JCRAJPAFMRNIKC-TUUUFIMRSA-N 1 2 268.332 0.309 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001123662354 817003150 /nfs/dbraw/zinc/00/31/50/817003150.db2.gz LXTNYNBAKCMODW-CQSZACIVSA-N 1 2 298.431 0.514 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)nc2)C1 ZINC001031392380 817027908 /nfs/dbraw/zinc/02/79/08/817027908.db2.gz JBFKCVWWXKKQPE-UHFFFAOYSA-N 1 2 257.337 0.756 20 30 CCEDLO N#CCSCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001123792423 817071069 /nfs/dbraw/zinc/07/10/69/817071069.db2.gz WYDRREMWCLLINU-UHFFFAOYSA-N 1 2 271.371 0.001 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001031486635 817079259 /nfs/dbraw/zinc/07/92/59/817079259.db2.gz UFROWQJIMAEGBQ-UHFFFAOYSA-N 1 2 291.395 0.505 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001031530728 817112127 /nfs/dbraw/zinc/11/21/27/817112127.db2.gz ARFOXBBMSCGNCU-UHFFFAOYSA-N 1 2 282.731 0.596 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212245986 817201979 /nfs/dbraw/zinc/20/19/79/817201979.db2.gz IVJYBHXPKYVHHV-BFHYXJOUSA-N 1 2 282.359 0.963 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212245986 817201987 /nfs/dbraw/zinc/20/19/87/817201987.db2.gz IVJYBHXPKYVHHV-BFHYXJOUSA-N 1 2 282.359 0.963 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124196706 817332137 /nfs/dbraw/zinc/33/21/37/817332137.db2.gz OTSWEFXSYUECJU-LBPRGKRZSA-N 1 2 294.355 0.219 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001031751328 817336374 /nfs/dbraw/zinc/33/63/74/817336374.db2.gz CCGNGVZPMPXKAG-UHFFFAOYSA-N 1 2 287.363 0.379 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccs2)[C@@H](O)C1 ZINC001083772400 817518455 /nfs/dbraw/zinc/51/84/55/817518455.db2.gz HAUCWMJIWKQOBO-TUAOUCFPSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccs2)[C@@H](O)C1 ZINC001083772400 817518461 /nfs/dbraw/zinc/51/84/61/817518461.db2.gz HAUCWMJIWKQOBO-TUAOUCFPSA-N 1 2 278.377 0.646 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001124888430 817616330 /nfs/dbraw/zinc/61/63/30/817616330.db2.gz JZAYNALMHZXSTL-QMMMGPOBSA-N 1 2 263.301 0.312 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001124908412 817632794 /nfs/dbraw/zinc/63/27/94/817632794.db2.gz KAFQIYJCFFIELP-IUCAKERBSA-N 1 2 277.328 0.873 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccn1 ZINC001032288214 817785532 /nfs/dbraw/zinc/78/55/32/817785532.db2.gz IVKLBAALXSYNFY-RDBSUJKOSA-N 1 2 272.352 0.753 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccn1 ZINC001032288214 817785536 /nfs/dbraw/zinc/78/55/36/817785536.db2.gz IVKLBAALXSYNFY-RDBSUJKOSA-N 1 2 272.352 0.753 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COC(C)C)nn2)C1 ZINC001107141239 817791309 /nfs/dbraw/zinc/79/13/09/817791309.db2.gz WJKQFBPGJAFNCY-UHFFFAOYSA-N 1 2 293.371 0.362 20 30 CCEDLO N#Cc1cncc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001107539865 817877495 /nfs/dbraw/zinc/87/74/95/817877495.db2.gz VFZSSEKSPKGHGK-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685721 817941907 /nfs/dbraw/zinc/94/19/07/817941907.db2.gz MZZZDZUKLDQGTH-LBPRGKRZSA-N 1 2 274.311 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685721 817941913 /nfs/dbraw/zinc/94/19/13/817941913.db2.gz MZZZDZUKLDQGTH-LBPRGKRZSA-N 1 2 274.311 0.872 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccn2C)C1 ZINC001107743556 817976411 /nfs/dbraw/zinc/97/64/11/817976411.db2.gz RXHYMEFAOUACDA-INIZCTEOSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccn2C)C1 ZINC001107743556 817976414 /nfs/dbraw/zinc/97/64/14/817976414.db2.gz RXHYMEFAOUACDA-INIZCTEOSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCO1 ZINC001032357588 817979934 /nfs/dbraw/zinc/97/99/34/817979934.db2.gz XASUPCCBFOCJHJ-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCO1 ZINC001032357588 817979936 /nfs/dbraw/zinc/97/99/36/817979936.db2.gz XASUPCCBFOCJHJ-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ncn1 ZINC001032359821 817989396 /nfs/dbraw/zinc/98/93/96/817989396.db2.gz YJBMKJSIRCLUJF-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ncn1 ZINC001032359821 817989402 /nfs/dbraw/zinc/98/94/02/817989402.db2.gz YJBMKJSIRCLUJF-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766391 817992866 /nfs/dbraw/zinc/99/28/66/817992866.db2.gz RSIUDVAYUMKWMM-GOEBONIOSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766391 817992872 /nfs/dbraw/zinc/99/28/72/817992872.db2.gz RSIUDVAYUMKWMM-GOEBONIOSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107791978 818008854 /nfs/dbraw/zinc/00/88/54/818008854.db2.gz FEDBIYJXYGCDRE-OCCSQVGLSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107791978 818008862 /nfs/dbraw/zinc/00/88/62/818008862.db2.gz FEDBIYJXYGCDRE-OCCSQVGLSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107812985 818028449 /nfs/dbraw/zinc/02/84/49/818028449.db2.gz KRTHUGODZNEPLC-HNNXBMFYSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107812985 818028457 /nfs/dbraw/zinc/02/84/57/818028457.db2.gz KRTHUGODZNEPLC-HNNXBMFYSA-N 1 2 280.368 0.419 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089976694 818106580 /nfs/dbraw/zinc/10/65/80/818106580.db2.gz PPLWZGZDPXJJIS-GJZGRUSLSA-N 1 2 273.336 0.630 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089976694 818106589 /nfs/dbraw/zinc/10/65/89/818106589.db2.gz PPLWZGZDPXJJIS-GJZGRUSLSA-N 1 2 273.336 0.630 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099652198 818428350 /nfs/dbraw/zinc/42/83/50/818428350.db2.gz YHASQXORDWGRQL-UWVGGRQHSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099652198 818428355 /nfs/dbraw/zinc/42/83/55/818428355.db2.gz YHASQXORDWGRQL-UWVGGRQHSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090097719 818510571 /nfs/dbraw/zinc/51/05/71/818510571.db2.gz ZOGIYCRHUNBNQT-ONGXEEELSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090097719 818510578 /nfs/dbraw/zinc/51/05/78/818510578.db2.gz ZOGIYCRHUNBNQT-ONGXEEELSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nnc(C)o1)OCC ZINC001128527634 818606600 /nfs/dbraw/zinc/60/66/00/818606600.db2.gz AZCJBJODFQRADS-GFCCVEGCSA-N 1 2 296.371 0.955 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC(F)F)C1 ZINC001108096719 818662895 /nfs/dbraw/zinc/66/28/95/818662895.db2.gz VRRQIYCGPTVZDM-ZDUSSCGKSA-N 1 2 292.326 0.661 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC(F)F)C1 ZINC001108096719 818662903 /nfs/dbraw/zinc/66/29/03/818662903.db2.gz VRRQIYCGPTVZDM-ZDUSSCGKSA-N 1 2 292.326 0.661 20 30 CCEDLO C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358012 818739294 /nfs/dbraw/zinc/73/92/94/818739294.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358012 818739302 /nfs/dbraw/zinc/73/93/02/818739302.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 1 2 293.411 0.262 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033379763 818740298 /nfs/dbraw/zinc/74/02/98/818740298.db2.gz ZDHPFZZTYQEUHW-AWEZNQCLSA-N 1 2 285.347 0.056 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033379763 818740308 /nfs/dbraw/zinc/74/03/08/818740308.db2.gz ZDHPFZZTYQEUHW-AWEZNQCLSA-N 1 2 285.347 0.056 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001033372318 818742349 /nfs/dbraw/zinc/74/23/49/818742349.db2.gz DZDZFLIYADPZLE-SNVBAGLBSA-N 1 2 296.758 0.669 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001033372318 818742356 /nfs/dbraw/zinc/74/23/56/818742356.db2.gz DZDZFLIYADPZLE-SNVBAGLBSA-N 1 2 296.758 0.669 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128716690 818872475 /nfs/dbraw/zinc/87/24/75/818872475.db2.gz XWJKSJDJSAZYSM-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128716690 818872481 /nfs/dbraw/zinc/87/24/81/818872481.db2.gz XWJKSJDJSAZYSM-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@@H](n2ccnn2)C1 ZINC001128877998 819118912 /nfs/dbraw/zinc/11/89/12/819118912.db2.gz LOOVBIAGXWIWNA-NRBOULDASA-N 1 2 273.340 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@@H](n2ccnn2)C1 ZINC001128877998 819118917 /nfs/dbraw/zinc/11/89/17/819118917.db2.gz LOOVBIAGXWIWNA-NRBOULDASA-N 1 2 273.340 0.219 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108141864 819289077 /nfs/dbraw/zinc/28/90/77/819289077.db2.gz GBIPELFLUBKGIW-UKTARXLSSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108141864 819289083 /nfs/dbraw/zinc/28/90/83/819289083.db2.gz GBIPELFLUBKGIW-UKTARXLSSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035294248 819440931 /nfs/dbraw/zinc/44/09/31/819440931.db2.gz JBIOBJLUSMKCQA-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035294248 819440935 /nfs/dbraw/zinc/44/09/35/819440935.db2.gz JBIOBJLUSMKCQA-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001035276188 819444435 /nfs/dbraw/zinc/44/44/35/819444435.db2.gz MWPBQBQVJXWNQH-CQSZACIVSA-N 1 2 291.351 0.327 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001035276188 819444440 /nfs/dbraw/zinc/44/44/40/819444440.db2.gz MWPBQBQVJXWNQH-CQSZACIVSA-N 1 2 291.351 0.327 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035278165 819445778 /nfs/dbraw/zinc/44/57/78/819445778.db2.gz XJNCDABHHAYQNV-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035278165 819445782 /nfs/dbraw/zinc/44/57/82/819445782.db2.gz XJNCDABHHAYQNV-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035338395 819479089 /nfs/dbraw/zinc/47/90/89/819479089.db2.gz HKCTYBRZAVPQJP-CQSZACIVSA-N 1 2 286.335 0.340 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035338395 819479093 /nfs/dbraw/zinc/47/90/93/819479093.db2.gz HKCTYBRZAVPQJP-CQSZACIVSA-N 1 2 286.335 0.340 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035365828 819488986 /nfs/dbraw/zinc/48/89/86/819488986.db2.gz YAECCWKZZQLXQA-JTQLQIEISA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035365828 819488989 /nfs/dbraw/zinc/48/89/89/819488989.db2.gz YAECCWKZZQLXQA-JTQLQIEISA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035366845 819489582 /nfs/dbraw/zinc/48/95/82/819489582.db2.gz HRVOQVBBFIWXKR-VHSXEESVSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035366845 819489587 /nfs/dbraw/zinc/48/95/87/819489587.db2.gz HRVOQVBBFIWXKR-VHSXEESVSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035425839 819512264 /nfs/dbraw/zinc/51/22/64/819512264.db2.gz CNIBWTOXUGVLTH-LLVKDONJSA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035425839 819512271 /nfs/dbraw/zinc/51/22/71/819512271.db2.gz CNIBWTOXUGVLTH-LLVKDONJSA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001035428578 819513335 /nfs/dbraw/zinc/51/33/35/819513335.db2.gz CLVKUIBBMMTFOB-LLVKDONJSA-N 1 2 290.367 0.515 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001035428578 819513341 /nfs/dbraw/zinc/51/33/41/819513341.db2.gz CLVKUIBBMMTFOB-LLVKDONJSA-N 1 2 290.367 0.515 20 30 CCEDLO N#CCN1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001035448032 819526966 /nfs/dbraw/zinc/52/69/66/819526966.db2.gz MBUKSNDJZHBOPJ-GFCCVEGCSA-N 1 2 299.334 0.288 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035485618 819534347 /nfs/dbraw/zinc/53/43/47/819534347.db2.gz CXMWNRGBETXOOL-SECBINFHSA-N 1 2 283.353 0.465 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035485618 819534353 /nfs/dbraw/zinc/53/43/53/819534353.db2.gz CXMWNRGBETXOOL-SECBINFHSA-N 1 2 283.353 0.465 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2conc2CC)C1 ZINC001035499102 819539995 /nfs/dbraw/zinc/53/99/95/819539995.db2.gz CDQWFBZRVBPTED-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2conc2CC)C1 ZINC001035499102 819540000 /nfs/dbraw/zinc/54/00/00/819540000.db2.gz CDQWFBZRVBPTED-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035517694 819546815 /nfs/dbraw/zinc/54/68/15/819546815.db2.gz ZNRHGLZPMDZCJO-BARDWOONSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035517694 819546819 /nfs/dbraw/zinc/54/68/19/819546819.db2.gz ZNRHGLZPMDZCJO-BARDWOONSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035492256 819547886 /nfs/dbraw/zinc/54/78/86/819547886.db2.gz WBPWMHZRXSMXIC-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035492256 819547890 /nfs/dbraw/zinc/54/78/90/819547890.db2.gz WBPWMHZRXSMXIC-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001035492103 819548734 /nfs/dbraw/zinc/54/87/34/819548734.db2.gz JDCPVDJMXOBCHR-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001035492103 819548739 /nfs/dbraw/zinc/54/87/39/819548739.db2.gz JDCPVDJMXOBCHR-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001035492102 819548764 /nfs/dbraw/zinc/54/87/64/819548764.db2.gz JDCPVDJMXOBCHR-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001035492102 819548770 /nfs/dbraw/zinc/54/87/70/819548770.db2.gz JDCPVDJMXOBCHR-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC001035569156 819560838 /nfs/dbraw/zinc/56/08/38/819560838.db2.gz IQLVICMSWWKLGH-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC001035569156 819560841 /nfs/dbraw/zinc/56/08/41/819560841.db2.gz IQLVICMSWWKLGH-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035612178 819588705 /nfs/dbraw/zinc/58/87/05/819588705.db2.gz ABAIHUMHCKGOAU-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035612178 819588708 /nfs/dbraw/zinc/58/87/08/819588708.db2.gz ABAIHUMHCKGOAU-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cc(COC)on2)CC1 ZINC000708152269 819760656 /nfs/dbraw/zinc/76/06/56/819760656.db2.gz NNDQCTZCSZCMFF-UHFFFAOYSA-N 1 2 250.298 0.781 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H](O)C1 ZINC001083925747 820285777 /nfs/dbraw/zinc/28/57/77/820285777.db2.gz OJRPTHBFXPEMDP-MNOVXSKESA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H](O)C1 ZINC001083925747 820285781 /nfs/dbraw/zinc/28/57/81/820285781.db2.gz OJRPTHBFXPEMDP-MNOVXSKESA-N 1 2 277.324 0.206 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC001079408897 820389278 /nfs/dbraw/zinc/38/92/78/820389278.db2.gz LKPZIPWYGOLBFE-MWLCHTKSSA-N 1 2 278.381 0.920 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC001079408897 820389289 /nfs/dbraw/zinc/38/92/89/820389289.db2.gz LKPZIPWYGOLBFE-MWLCHTKSSA-N 1 2 278.381 0.920 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774235 820466181 /nfs/dbraw/zinc/46/61/81/820466181.db2.gz WSGINVWOJYTTPV-MWLCHTKSSA-N 1 2 283.763 0.467 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774235 820466188 /nfs/dbraw/zinc/46/61/88/820466188.db2.gz WSGINVWOJYTTPV-MWLCHTKSSA-N 1 2 283.763 0.467 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001080806870 820639717 /nfs/dbraw/zinc/63/97/17/820639717.db2.gz KLPTYUBASZKPTG-DVVUODLYSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001080806870 820639720 /nfs/dbraw/zinc/63/97/20/820639720.db2.gz KLPTYUBASZKPTG-DVVUODLYSA-N 1 2 285.775 0.454 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001081263697 820711285 /nfs/dbraw/zinc/71/12/85/820711285.db2.gz YTWPUAXBRMWEBI-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001081263697 820711292 /nfs/dbraw/zinc/71/12/92/820711292.db2.gz YTWPUAXBRMWEBI-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001081350515 820744984 /nfs/dbraw/zinc/74/49/84/820744984.db2.gz JVAJPGUDEVLKIN-TZMCWYRMSA-N 1 2 275.352 0.396 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001081350515 820744992 /nfs/dbraw/zinc/74/49/92/820744992.db2.gz JVAJPGUDEVLKIN-TZMCWYRMSA-N 1 2 275.352 0.396 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@H](OC)C1 ZINC001081775820 820829004 /nfs/dbraw/zinc/82/90/04/820829004.db2.gz UYBHXHZBVREHEB-CHWSQXEVSA-N 1 2 298.358 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@H](OC)C1 ZINC001081775820 820829012 /nfs/dbraw/zinc/82/90/12/820829012.db2.gz UYBHXHZBVREHEB-CHWSQXEVSA-N 1 2 298.358 0.344 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H](OC)C1 ZINC001081838636 820853575 /nfs/dbraw/zinc/85/35/75/820853575.db2.gz VKWHXYSFQAUROE-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H](OC)C1 ZINC001081838636 820853585 /nfs/dbraw/zinc/85/35/85/820853585.db2.gz VKWHXYSFQAUROE-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H](OC)C1 ZINC001082321531 820936294 /nfs/dbraw/zinc/93/62/94/820936294.db2.gz YLWXCXHGFOUAEG-HUUCEWRRSA-N 1 2 287.363 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H](OC)C1 ZINC001082321531 820936296 /nfs/dbraw/zinc/93/62/96/820936296.db2.gz YLWXCXHGFOUAEG-HUUCEWRRSA-N 1 2 287.363 0.566 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1 ZINC001082451376 820971822 /nfs/dbraw/zinc/97/18/22/820971822.db2.gz YAQBNNSSKPUQBK-IQJOONFLSA-N 1 2 277.328 0.474 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1NCC#N ZINC001082572446 820999291 /nfs/dbraw/zinc/99/92/91/820999291.db2.gz CRCXIKYNXXLVRT-PRULPYPASA-N 1 2 273.340 0.473 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC001082572446 820999296 /nfs/dbraw/zinc/99/92/96/820999296.db2.gz CRCXIKYNXXLVRT-PRULPYPASA-N 1 2 273.340 0.473 20 30 CCEDLO N#CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC001118927661 821000790 /nfs/dbraw/zinc/00/07/90/821000790.db2.gz AWYDDFQCKGANTO-OWOJBTEDSA-N 1 2 279.340 0.064 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001082989609 821091361 /nfs/dbraw/zinc/09/13/61/821091361.db2.gz SQXWHLOMMWKTOH-QWHCGFSZSA-N 1 2 276.361 0.907 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001082989609 821091371 /nfs/dbraw/zinc/09/13/71/821091371.db2.gz SQXWHLOMMWKTOH-QWHCGFSZSA-N 1 2 276.361 0.907 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CSC)[C@H]2C1 ZINC001082993191 821097190 /nfs/dbraw/zinc/09/71/90/821097190.db2.gz KNEZCMWOKYQJMY-NWDGAFQWSA-N 1 2 268.382 0.284 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSC)[C@H]2C1 ZINC001082993191 821097197 /nfs/dbraw/zinc/09/71/97/821097197.db2.gz KNEZCMWOKYQJMY-NWDGAFQWSA-N 1 2 268.382 0.284 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCCO3)[C@H]2C1 ZINC001083008107 821103875 /nfs/dbraw/zinc/10/38/75/821103875.db2.gz WAKGLTRASAQITE-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCCO3)[C@H]2C1 ZINC001083008107 821103879 /nfs/dbraw/zinc/10/38/79/821103879.db2.gz WAKGLTRASAQITE-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083007725 821105339 /nfs/dbraw/zinc/10/53/39/821105339.db2.gz JLIOZSGKJDADJB-GRYCIOLGSA-N 1 2 268.382 0.283 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083007725 821105347 /nfs/dbraw/zinc/10/53/47/821105347.db2.gz JLIOZSGKJDADJB-GRYCIOLGSA-N 1 2 268.382 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)cn3)[C@H]2C1 ZINC001083150324 821146587 /nfs/dbraw/zinc/14/65/87/821146587.db2.gz QUICHIQNSULZKN-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)cn3)[C@H]2C1 ZINC001083150324 821146594 /nfs/dbraw/zinc/14/65/94/821146594.db2.gz QUICHIQNSULZKN-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C(C)C)[C@H]2C1 ZINC001083169168 821152658 /nfs/dbraw/zinc/15/26/58/821152658.db2.gz GRVSUHYYUPXLOE-MJBXVCDLSA-N 1 2 282.359 0.915 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C(C)C)[C@H]2C1 ZINC001083169168 821152662 /nfs/dbraw/zinc/15/26/62/821152662.db2.gz GRVSUHYYUPXLOE-MJBXVCDLSA-N 1 2 282.359 0.915 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001083980218 821165979 /nfs/dbraw/zinc/16/59/79/821165979.db2.gz CTHQVWQDNYLASN-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001083980218 821165985 /nfs/dbraw/zinc/16/59/85/821165985.db2.gz CTHQVWQDNYLASN-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001083991002 821171602 /nfs/dbraw/zinc/17/16/02/821171602.db2.gz WDSMKQJUBGEHBB-NEPJUHHUSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001083991002 821171608 /nfs/dbraw/zinc/17/16/08/821171608.db2.gz WDSMKQJUBGEHBB-NEPJUHHUSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966040 821174182 /nfs/dbraw/zinc/17/41/82/821174182.db2.gz HLFAEDBOAVQBSV-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966040 821174183 /nfs/dbraw/zinc/17/41/83/821174183.db2.gz HLFAEDBOAVQBSV-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091885 821196672 /nfs/dbraw/zinc/19/66/72/821196672.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091885 821196675 /nfs/dbraw/zinc/19/66/75/821196675.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 1 2 293.411 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@@H](O)C1 ZINC001084088498 821197541 /nfs/dbraw/zinc/19/75/41/821197541.db2.gz AIMQPQUOSXKUQN-ZNMIVQPWSA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@@H](O)C1 ZINC001084088498 821197545 /nfs/dbraw/zinc/19/75/45/821197545.db2.gz AIMQPQUOSXKUQN-ZNMIVQPWSA-N 1 2 289.379 0.460 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084372780 821280863 /nfs/dbraw/zinc/28/08/63/821280863.db2.gz GBDMMUOPNXNFNL-GHMZBOCLSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084372780 821280871 /nfs/dbraw/zinc/28/08/71/821280871.db2.gz GBDMMUOPNXNFNL-GHMZBOCLSA-N 1 2 299.802 0.783 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001084568729 821313383 /nfs/dbraw/zinc/31/33/83/821313383.db2.gz XVCGBDIRKXJIPQ-VXGBXAGGSA-N 1 2 273.340 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001084568729 821313390 /nfs/dbraw/zinc/31/33/90/821313390.db2.gz XVCGBDIRKXJIPQ-VXGBXAGGSA-N 1 2 273.340 0.283 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084799552 821393767 /nfs/dbraw/zinc/39/37/67/821393767.db2.gz PCHSZDOUSMWYLV-DGCLKSJQSA-N 1 2 273.340 0.317 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000820344459 821439963 /nfs/dbraw/zinc/43/99/63/821439963.db2.gz LLBONALWBMYLQX-KWCYVHTRSA-N 1 2 273.336 0.743 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000826672485 821667770 /nfs/dbraw/zinc/66/77/70/821667770.db2.gz QKTMUKSZVJVFQT-UHFFFAOYSA-N 1 2 268.342 0.619 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC001085501272 821747018 /nfs/dbraw/zinc/74/70/18/821747018.db2.gz WVEXNRSZXKETJB-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC001085501272 821747023 /nfs/dbraw/zinc/74/70/23/821747023.db2.gz WVEXNRSZXKETJB-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1O ZINC001085561450 821788525 /nfs/dbraw/zinc/78/85/25/821788525.db2.gz LYHDDFOSLLMCLF-GFCCVEGCSA-N 1 2 273.336 0.957 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1O ZINC001085561450 821788531 /nfs/dbraw/zinc/78/85/31/821788531.db2.gz LYHDDFOSLLMCLF-GFCCVEGCSA-N 1 2 273.336 0.957 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085565838 821797655 /nfs/dbraw/zinc/79/76/55/821797655.db2.gz UCTDYOKHFFELNN-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085565838 821797656 /nfs/dbraw/zinc/79/76/56/821797656.db2.gz UCTDYOKHFFELNN-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630638 821862449 /nfs/dbraw/zinc/86/24/49/821862449.db2.gz AAKVBTCAOBZTFP-NSHDSACASA-N 1 2 298.350 0.523 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085659102 821879725 /nfs/dbraw/zinc/87/97/25/821879725.db2.gz KAIUURWCMNGFOY-GFCCVEGCSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085659102 821879736 /nfs/dbraw/zinc/87/97/36/821879736.db2.gz KAIUURWCMNGFOY-GFCCVEGCSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1C ZINC001085699684 821911151 /nfs/dbraw/zinc/91/11/51/821911151.db2.gz UFXXQXKPLCCAPK-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1C ZINC001085699684 821911157 /nfs/dbraw/zinc/91/11/57/821911157.db2.gz UFXXQXKPLCCAPK-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2nnnc2c1 ZINC001085761673 821935091 /nfs/dbraw/zinc/93/50/91/821935091.db2.gz PSVNYSLRWOXMNK-ZDUSSCGKSA-N 1 2 298.350 0.294 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2nnnc2c1 ZINC001085761673 821935093 /nfs/dbraw/zinc/93/50/93/821935093.db2.gz PSVNYSLRWOXMNK-ZDUSSCGKSA-N 1 2 298.350 0.294 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899722 822004708 /nfs/dbraw/zinc/00/47/08/822004708.db2.gz LVGXBVCEKHUZGA-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899722 822004715 /nfs/dbraw/zinc/00/47/15/822004715.db2.gz LVGXBVCEKHUZGA-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001085976041 822046763 /nfs/dbraw/zinc/04/67/63/822046763.db2.gz MGOUCBBIBJEYMB-LBPRGKRZSA-N 1 2 272.352 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001085976041 822046777 /nfs/dbraw/zinc/04/67/77/822046777.db2.gz MGOUCBBIBJEYMB-LBPRGKRZSA-N 1 2 272.352 0.819 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992015 822059192 /nfs/dbraw/zinc/05/91/92/822059192.db2.gz ARECHOZPTYVKST-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992015 822059201 /nfs/dbraw/zinc/05/92/01/822059201.db2.gz ARECHOZPTYVKST-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)cnc2C#N)C1 ZINC001155193779 822085863 /nfs/dbraw/zinc/08/58/63/822085863.db2.gz LDCSBBCPUIBIGK-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)cnc2C#N)C1 ZINC001155193779 822085871 /nfs/dbraw/zinc/08/58/71/822085871.db2.gz LDCSBBCPUIBIGK-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(C#N)cc2C#N)C1 ZINC001155195647 822086478 /nfs/dbraw/zinc/08/64/78/822086478.db2.gz BMIOWPOCDPWARB-LBPRGKRZSA-N 1 2 257.297 0.567 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc(C#N)cc2C#N)C1 ZINC001155195647 822086485 /nfs/dbraw/zinc/08/64/85/822086485.db2.gz BMIOWPOCDPWARB-LBPRGKRZSA-N 1 2 257.297 0.567 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(CC)n2)C1 ZINC001108259058 822180055 /nfs/dbraw/zinc/18/00/55/822180055.db2.gz XUTFPHLUZWKMKM-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(CC)n2)C1 ZINC001108259058 822180061 /nfs/dbraw/zinc/18/00/61/822180061.db2.gz XUTFPHLUZWKMKM-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2nnc[nH]2)C1 ZINC001108286878 822301902 /nfs/dbraw/zinc/30/19/02/822301902.db2.gz FRHYJWSNEWYFLB-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2nnc[nH]2)C1 ZINC001108286878 822301913 /nfs/dbraw/zinc/30/19/13/822301913.db2.gz FRHYJWSNEWYFLB-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114051267 837417449 /nfs/dbraw/zinc/41/74/49/837417449.db2.gz RUCCLRIFEOWFSL-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114051267 837417452 /nfs/dbraw/zinc/41/74/52/837417452.db2.gz RUCCLRIFEOWFSL-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114067435 837422712 /nfs/dbraw/zinc/42/27/12/837422712.db2.gz RUWVRNAEPOPMMB-MEWQQHAOSA-N 1 2 271.324 0.183 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114067435 837422721 /nfs/dbraw/zinc/42/27/21/837422721.db2.gz RUWVRNAEPOPMMB-MEWQQHAOSA-N 1 2 271.324 0.183 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001129513384 837525682 /nfs/dbraw/zinc/52/56/82/837525682.db2.gz DSHKLNXFAVTQJC-UHFFFAOYSA-N 1 2 285.351 0.984 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C=CN=C3N=CC=C32)CC1 ZINC001183587456 844048715 /nfs/dbraw/zinc/04/87/15/844048715.db2.gz GIYLNCCBYNHAHU-CYBMUJFWSA-N 1 2 270.336 0.869 20 30 CCEDLO C#CCN1CCO[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367777 835990811 /nfs/dbraw/zinc/99/08/11/835990811.db2.gz PYVQQINJJGATNF-HNNXBMFYSA-N 1 2 290.367 0.101 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975190 836091194 /nfs/dbraw/zinc/09/11/94/836091194.db2.gz UMPRXYHRPIGDBI-YIZRAAEISA-N 1 2 262.331 0.493 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CSC)CC2=O)C1 ZINC001108502941 836326139 /nfs/dbraw/zinc/32/61/39/836326139.db2.gz UUXVHFRPXRMYSZ-NSHDSACASA-N 1 2 297.424 0.327 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](F)CC)CC2=O)C1 ZINC001108563939 836453163 /nfs/dbraw/zinc/45/31/63/836453163.db2.gz XEMJOUHHMWRKGK-PWSUYJOCSA-N 1 2 283.347 0.322 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108848806 836540519 /nfs/dbraw/zinc/54/05/19/836540519.db2.gz SUWVKJGBCNPMNA-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108848806 836540524 /nfs/dbraw/zinc/54/05/24/836540524.db2.gz SUWVKJGBCNPMNA-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)CSC)CC1 ZINC001112601370 836813604 /nfs/dbraw/zinc/81/36/04/836813604.db2.gz PWLKLEDBECRTNG-UHFFFAOYSA-N 1 2 258.387 0.696 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnn2C)CC1 ZINC001112670339 836854969 /nfs/dbraw/zinc/85/49/69/836854969.db2.gz WJBBRSRBOPJBJZ-UHFFFAOYSA-N 1 2 278.356 0.381 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC001112710479 836880746 /nfs/dbraw/zinc/88/07/46/836880746.db2.gz BWUVGHWMOZTUGL-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112813941 836924994 /nfs/dbraw/zinc/92/49/94/836924994.db2.gz FOPAHZDQUBQFML-INIZCTEOSA-N 1 2 296.411 0.884 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccoc2)CC1 ZINC001112875920 836948164 /nfs/dbraw/zinc/94/81/64/836948164.db2.gz PBRZXJKXALQPGB-UHFFFAOYSA-N 1 2 277.324 0.340 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2ccnn2C)CC1 ZINC001113007592 836995620 /nfs/dbraw/zinc/99/56/20/836995620.db2.gz WVTBUOLKPRAABK-UHFFFAOYSA-N 1 2 278.356 0.267 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1nccnc1C#N ZINC001113083410 837018693 /nfs/dbraw/zinc/01/86/93/837018693.db2.gz ZLJORNJNVRSYJE-GHMZBOCLSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1nccnc1C#N ZINC001113155370 837040718 /nfs/dbraw/zinc/04/07/18/837040718.db2.gz OGXKXAVGXFJZCL-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(COC)CCOC2)CC1 ZINC001113161989 837043827 /nfs/dbraw/zinc/04/38/27/837043827.db2.gz QSFAYMFUPVJGOY-HNNXBMFYSA-N 1 2 282.384 0.760 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113243072 837068484 /nfs/dbraw/zinc/06/84/84/837068484.db2.gz DADHNDFJEZVHJV-AWEZNQCLSA-N 1 2 284.400 0.742 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113303326 837081099 /nfs/dbraw/zinc/08/10/99/837081099.db2.gz YLLNVZXHAQKQEK-OAHLLOKOSA-N 1 2 284.400 0.742 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ncccc1C#N ZINC001113645163 837187275 /nfs/dbraw/zinc/18/72/75/837187275.db2.gz UFQWNVXHRKLMSX-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO CC#CCN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113724340 837206121 /nfs/dbraw/zinc/20/61/21/837206121.db2.gz XMAHVBMMTVQVOH-UHFFFAOYSA-N 1 2 274.368 0.831 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001113890939 837356784 /nfs/dbraw/zinc/35/67/84/837356784.db2.gz JRZYCLPBQFTUEZ-PJXYFTJBSA-N 1 2 292.364 0.478 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001113890939 837356797 /nfs/dbraw/zinc/35/67/97/837356797.db2.gz JRZYCLPBQFTUEZ-PJXYFTJBSA-N 1 2 292.364 0.478 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132016313 838301079 /nfs/dbraw/zinc/30/10/79/838301079.db2.gz GGUXFBQJOXKWSY-CHWSQXEVSA-N 1 2 279.384 0.361 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132016313 838301086 /nfs/dbraw/zinc/30/10/86/838301086.db2.gz GGUXFBQJOXKWSY-CHWSQXEVSA-N 1 2 279.384 0.361 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CN1CC#N ZINC001132196043 838337355 /nfs/dbraw/zinc/33/73/55/838337355.db2.gz XYOZHMNZTDYQSV-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132530319 838424486 /nfs/dbraw/zinc/42/44/86/838424486.db2.gz WPBGYPYEEGJJFV-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132530319 838424489 /nfs/dbraw/zinc/42/44/89/838424489.db2.gz WPBGYPYEEGJJFV-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001132660120 838464727 /nfs/dbraw/zinc/46/47/27/838464727.db2.gz JEUSDJVQQAFVJS-SNVBAGLBSA-N 1 2 252.318 0.878 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132667600 838466102 /nfs/dbraw/zinc/46/61/02/838466102.db2.gz OOCQVFLOGJCJSR-LLVKDONJSA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1CNCC#N ZINC001185206425 844362200 /nfs/dbraw/zinc/36/22/00/844362200.db2.gz SYTKJIJTHCXTNZ-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001093513500 841300229 /nfs/dbraw/zinc/30/02/29/841300229.db2.gz PTJANRWGWWGKSA-GFCCVEGCSA-N 1 2 282.384 0.899 20 30 CCEDLO C[C@H](C#N)C(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093529427 841312810 /nfs/dbraw/zinc/31/28/10/841312810.db2.gz YGOYQQOJUYCBGN-MRVPVSSYSA-N 1 2 273.300 0.051 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001093582675 841350903 /nfs/dbraw/zinc/35/09/03/841350903.db2.gz YOLBSOHJAKNPGJ-UHFFFAOYSA-N 1 2 284.323 0.259 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)CCCn1cc[nH+]c1 ZINC001093714904 841444329 /nfs/dbraw/zinc/44/43/29/841444329.db2.gz UPGIOZMFTMOYJN-UHFFFAOYSA-N 1 2 298.350 0.580 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001094327612 841604615 /nfs/dbraw/zinc/60/46/15/841604615.db2.gz HURPLXFSRFZGTK-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094595064 841683192 /nfs/dbraw/zinc/68/31/92/841683192.db2.gz QWORPEQAOUGBDJ-LLVKDONJSA-N 1 2 276.340 0.742 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001172614037 841945750 /nfs/dbraw/zinc/94/57/50/841945750.db2.gz YYLWQGBVVKSFJV-IJLUTSLNSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)N1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001172735489 841959139 /nfs/dbraw/zinc/95/91/39/841959139.db2.gz CHPMEDSLXZLGCA-NSHDSACASA-N 1 2 252.318 0.015 20 30 CCEDLO COC(=O)N1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001172735483 841960308 /nfs/dbraw/zinc/96/03/08/841960308.db2.gz CHPMEDSLXZLGCA-LLVKDONJSA-N 1 2 252.318 0.015 20 30 CCEDLO CCOC(=O)C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001173643460 842126958 /nfs/dbraw/zinc/12/69/58/842126958.db2.gz WSTSXFHRVAEZRD-JHJVBQTASA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1ccnnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174489859 842187791 /nfs/dbraw/zinc/18/77/91/842187791.db2.gz HGBCHWCPSOKPBO-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001176874829 842435267 /nfs/dbraw/zinc/43/52/67/842435267.db2.gz ATYDUHNQJWKCTO-KGLIPLIRSA-N 1 2 298.383 0.137 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001176874829 842435270 /nfs/dbraw/zinc/43/52/70/842435270.db2.gz ATYDUHNQJWKCTO-KGLIPLIRSA-N 1 2 298.383 0.137 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 ZINC001176894653 842456625 /nfs/dbraw/zinc/45/66/25/842456625.db2.gz ROQQQXUQAJNZJH-KBPBESRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 ZINC001176894653 842456629 /nfs/dbraw/zinc/45/66/29/842456629.db2.gz ROQQQXUQAJNZJH-KBPBESRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900660 842459441 /nfs/dbraw/zinc/45/94/41/842459441.db2.gz OONUJXYXOHQJLJ-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900660 842459445 /nfs/dbraw/zinc/45/94/45/842459445.db2.gz OONUJXYXOHQJLJ-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962244 842469703 /nfs/dbraw/zinc/46/97/03/842469703.db2.gz GXYDEUFSIBHDBP-LSDHHAIUSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962244 842469707 /nfs/dbraw/zinc/46/97/07/842469707.db2.gz GXYDEUFSIBHDBP-LSDHHAIUSA-N 1 2 294.395 0.736 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019229 842485826 /nfs/dbraw/zinc/48/58/26/842485826.db2.gz JOLBLTSWBYITGS-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019229 842485832 /nfs/dbraw/zinc/48/58/32/842485832.db2.gz JOLBLTSWBYITGS-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926581 842697751 /nfs/dbraw/zinc/69/77/51/842697751.db2.gz GPCAHHSTHKOOLE-BDAKNGLRSA-N 1 2 250.258 0.016 20 30 CCEDLO CC#CC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001179749989 843046718 /nfs/dbraw/zinc/04/67/18/843046718.db2.gz CGOKGDLSTNYHGZ-UHFFFAOYSA-N 1 2 270.292 0.827 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)Cc3ccccc3C2)C1 ZINC001180762952 843295630 /nfs/dbraw/zinc/29/56/30/843295630.db2.gz RGIZPJRQSRGADN-CQSZACIVSA-N 1 2 285.347 0.494 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(C#N)Cc3ccccc3C2)C1 ZINC001180762952 843295637 /nfs/dbraw/zinc/29/56/37/843295637.db2.gz RGIZPJRQSRGADN-CQSZACIVSA-N 1 2 285.347 0.494 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001181618676 843556032 /nfs/dbraw/zinc/55/60/32/843556032.db2.gz XICAKYRACFDFSD-ZYHUDNBSSA-N 1 2 294.355 0.832 20 30 CCEDLO C#CC(C)(C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001182642010 843886678 /nfs/dbraw/zinc/88/66/78/843886678.db2.gz WVHQMQZDZQWLGW-LLVKDONJSA-N 1 2 277.324 0.280 20 30 CCEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959195 845006447 /nfs/dbraw/zinc/00/64/47/845006447.db2.gz OVYYQRAZAZFJNH-GFCCVEGCSA-N 1 2 294.380 0.964 20 30 CCEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959195 845006452 /nfs/dbraw/zinc/00/64/52/845006452.db2.gz OVYYQRAZAZFJNH-GFCCVEGCSA-N 1 2 294.380 0.964 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110432015 845537102 /nfs/dbraw/zinc/53/71/02/845537102.db2.gz NALUZLRAERJMLY-RAMXWLAGSA-N 1 2 290.367 0.314 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110432015 845537109 /nfs/dbraw/zinc/53/71/09/845537109.db2.gz NALUZLRAERJMLY-RAMXWLAGSA-N 1 2 290.367 0.314 20 30 CCEDLO CC(C)C#CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001273619099 845676362 /nfs/dbraw/zinc/67/63/62/845676362.db2.gz XNZOCLVIPWKNTR-UHFFFAOYSA-N 1 2 276.380 0.969 20 30 CCEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191854165 845741061 /nfs/dbraw/zinc/74/10/61/845741061.db2.gz JOXIBBGLOGZTFI-ZEGGKSINSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191854165 845741068 /nfs/dbraw/zinc/74/10/68/845741068.db2.gz JOXIBBGLOGZTFI-ZEGGKSINSA-N 1 2 292.339 0.112 20 30 CCEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001193280567 846040466 /nfs/dbraw/zinc/04/04/66/846040466.db2.gz XYMVHHDUISBTPB-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001193280567 846040470 /nfs/dbraw/zinc/04/04/70/846040470.db2.gz XYMVHHDUISBTPB-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)COC)CO2 ZINC001273676688 846286279 /nfs/dbraw/zinc/28/62/79/846286279.db2.gz YPNXWSWKQVFZNQ-LLVKDONJSA-N 1 2 254.330 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(=C)C)C1 ZINC001195525126 846566258 /nfs/dbraw/zinc/56/62/58/846566258.db2.gz LYEGFENCBKTZQN-YNEHKIRRSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(=C)C)C1 ZINC001195525126 846566268 /nfs/dbraw/zinc/56/62/68/846566268.db2.gz LYEGFENCBKTZQN-YNEHKIRRSA-N 1 2 250.342 0.383 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195732744 846604444 /nfs/dbraw/zinc/60/44/44/846604444.db2.gz GZPLCPRTGZOLOI-ZIAGYGMSSA-N 1 2 280.368 0.154 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195732744 846604451 /nfs/dbraw/zinc/60/44/51/846604451.db2.gz GZPLCPRTGZOLOI-ZIAGYGMSSA-N 1 2 280.368 0.154 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001195932149 846651873 /nfs/dbraw/zinc/65/18/73/846651873.db2.gz HWZYWSLVKPLNKF-BZPMIXESSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001195932149 846651876 /nfs/dbraw/zinc/65/18/76/846651876.db2.gz HWZYWSLVKPLNKF-BZPMIXESSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196011122 846665072 /nfs/dbraw/zinc/66/50/72/846665072.db2.gz YZSSARGBNLEIIY-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196011122 846665076 /nfs/dbraw/zinc/66/50/76/846665076.db2.gz YZSSARGBNLEIIY-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CCC1 ZINC001196139149 846688611 /nfs/dbraw/zinc/68/86/11/846688611.db2.gz SKKAUTJCNAIDST-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)CCC1 ZINC001196139149 846688616 /nfs/dbraw/zinc/68/86/16/846688616.db2.gz SKKAUTJCNAIDST-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001197404052 846901144 /nfs/dbraw/zinc/90/11/44/846901144.db2.gz NNZWFRHWDJMOMH-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001197404052 846901139 /nfs/dbraw/zinc/90/11/39/846901139.db2.gz NNZWFRHWDJMOMH-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ncccn2)CC1 ZINC001197519566 846926658 /nfs/dbraw/zinc/92/66/58/846926658.db2.gz OSIZLLZJMOSQHB-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ncccn2)CC1 ZINC001197519566 846926666 /nfs/dbraw/zinc/92/66/66/846926666.db2.gz OSIZLLZJMOSQHB-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001198233192 847070975 /nfs/dbraw/zinc/07/09/75/847070975.db2.gz FQWXYNKEJVUENP-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001198233192 847070982 /nfs/dbraw/zinc/07/09/82/847070982.db2.gz FQWXYNKEJVUENP-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001273881222 847724397 /nfs/dbraw/zinc/72/43/97/847724397.db2.gz LGMJKVIUIIUICY-VIFPVBQESA-N 1 2 294.273 0.009 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001273884778 847734948 /nfs/dbraw/zinc/73/49/48/847734948.db2.gz KPKGBBXTCQWBTG-GFCCVEGCSA-N 1 2 268.357 0.103 20 30 CCEDLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001273938671 847879762 /nfs/dbraw/zinc/87/97/62/847879762.db2.gz JKSUEVSBISVRQH-NSCUHMNNSA-N 1 2 299.338 0.091 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OC(C)C)CC2 ZINC001274061006 848334786 /nfs/dbraw/zinc/33/47/86/848334786.db2.gz DPRBPJVZZOJFQJ-CYBMUJFWSA-N 1 2 292.379 0.790 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](CC1OC=CC1=S)C2 ZINC001274177483 848366260 /nfs/dbraw/zinc/36/62/60/848366260.db2.gz ZVCGXRFTBSBYDX-UHFFFAOYSA-N 1 2 292.360 0.615 20 30 CCEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000717824605 848398831 /nfs/dbraw/zinc/39/88/31/848398831.db2.gz YUSMNMMUPWCNTD-NSHDSACASA-N 1 2 281.381 0.990 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCCC#CC)CC2)C1 ZINC001274474095 848486559 /nfs/dbraw/zinc/48/65/59/848486559.db2.gz BJKTURQOTDQPBL-UHFFFAOYSA-N 1 2 287.407 0.642 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@](C)(O)C=C)C2)OCC1=O ZINC001274614621 848524000 /nfs/dbraw/zinc/52/40/00/848524000.db2.gz JTHXARLIVYPAHY-CYBMUJFWSA-N 1 2 266.341 0.023 20 30 CCEDLO C#CCN1C(=O)COCC12CN(c1cccc[nH+]1)C2 ZINC001274739753 848557208 /nfs/dbraw/zinc/55/72/08/848557208.db2.gz MPDDEKMNCDSLQO-UHFFFAOYSA-N 1 2 257.293 0.132 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001275149811 848650212 /nfs/dbraw/zinc/65/02/12/848650212.db2.gz NCCUXGNGXLSOON-JTQLQIEISA-N 1 2 276.340 0.640 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001275174420 848658006 /nfs/dbraw/zinc/65/80/06/848658006.db2.gz LXJUYYYCWWMORZ-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO CC(C)=CC[NH+]1CC(CCO)(NC(=O)[C@H](C)C#N)C1 ZINC001276036785 848900571 /nfs/dbraw/zinc/90/05/71/848900571.db2.gz CCCVBPQYDDFFGG-GFCCVEGCSA-N 1 2 265.357 0.665 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)C#CC(C)C)C1 ZINC001276044154 848908592 /nfs/dbraw/zinc/90/85/92/848908592.db2.gz NXKLCICVSTXMHY-CYBMUJFWSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CCCOC2)C1 ZINC001276101035 848927215 /nfs/dbraw/zinc/92/72/15/848927215.db2.gz MZDFOYHKVRVRLX-CQSZACIVSA-N 1 2 294.395 0.379 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038620945 849676353 /nfs/dbraw/zinc/67/63/53/849676353.db2.gz GGHKBDWDNVAISJ-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038620945 849676361 /nfs/dbraw/zinc/67/63/61/849676361.db2.gz GGHKBDWDNVAISJ-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001038167339 849806964 /nfs/dbraw/zinc/80/69/64/849806964.db2.gz FVXWREWXEBSPMN-ZDUSSCGKSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001038167339 849806969 /nfs/dbraw/zinc/80/69/69/849806969.db2.gz FVXWREWXEBSPMN-ZDUSSCGKSA-N 1 2 298.350 0.624 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCN3CC#N)ccn12 ZINC001038247083 849828008 /nfs/dbraw/zinc/82/80/08/849828008.db2.gz SFAFHAGVVFFADP-ZDUSSCGKSA-N 1 2 283.335 0.970 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001038315942 849848855 /nfs/dbraw/zinc/84/88/55/849848855.db2.gz UVWUZEWGUYNBPD-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001038315942 849848861 /nfs/dbraw/zinc/84/88/61/849848861.db2.gz UVWUZEWGUYNBPD-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038343379 849858600 /nfs/dbraw/zinc/85/86/00/849858600.db2.gz BEGAGGVFAVXCBB-ZDUSSCGKSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038343379 849858608 /nfs/dbraw/zinc/85/86/08/849858608.db2.gz BEGAGGVFAVXCBB-ZDUSSCGKSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038362950 849864604 /nfs/dbraw/zinc/86/46/04/849864604.db2.gz KHFOVCRXSUKPJJ-GFCCVEGCSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038362950 849864608 /nfs/dbraw/zinc/86/46/08/849864608.db2.gz KHFOVCRXSUKPJJ-GFCCVEGCSA-N 1 2 297.362 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038416963 849885935 /nfs/dbraw/zinc/88/59/35/849885935.db2.gz GUVUABXKFSVOBY-CYBMUJFWSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038416963 849885939 /nfs/dbraw/zinc/88/59/39/849885939.db2.gz GUVUABXKFSVOBY-CYBMUJFWSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038432554 849896968 /nfs/dbraw/zinc/89/69/68/849896968.db2.gz RTGXUSNBMYTUGZ-GFCCVEGCSA-N 1 2 264.304 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038432554 849896974 /nfs/dbraw/zinc/89/69/74/849896974.db2.gz RTGXUSNBMYTUGZ-GFCCVEGCSA-N 1 2 264.304 0.290 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001038567516 849945257 /nfs/dbraw/zinc/94/52/57/849945257.db2.gz NVRIGAFMRVZPIY-TZMCWYRMSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001038567516 849945266 /nfs/dbraw/zinc/94/52/66/849945266.db2.gz NVRIGAFMRVZPIY-TZMCWYRMSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc2cncn21 ZINC001038770422 850011906 /nfs/dbraw/zinc/01/19/06/850011906.db2.gz SLDSTJZHBHYHNH-SNVBAGLBSA-N 1 2 274.349 0.833 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc2cncn21 ZINC001038770422 850011913 /nfs/dbraw/zinc/01/19/13/850011913.db2.gz SLDSTJZHBHYHNH-SNVBAGLBSA-N 1 2 274.349 0.833 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001038780324 850013886 /nfs/dbraw/zinc/01/38/86/850013886.db2.gz YCLHSLACGIVYHF-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001038780324 850013894 /nfs/dbraw/zinc/01/38/94/850013894.db2.gz YCLHSLACGIVYHF-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001038857092 850052842 /nfs/dbraw/zinc/05/28/42/850052842.db2.gz MPDKPAAFZQGVEJ-LBPRGKRZSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001038857092 850052848 /nfs/dbraw/zinc/05/28/48/850052848.db2.gz MPDKPAAFZQGVEJ-LBPRGKRZSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001038906471 850076718 /nfs/dbraw/zinc/07/67/18/850076718.db2.gz YEILLOLZUZEMRF-GFCCVEGCSA-N 1 2 298.350 0.248 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001038906471 850076728 /nfs/dbraw/zinc/07/67/28/850076728.db2.gz YEILLOLZUZEMRF-GFCCVEGCSA-N 1 2 298.350 0.248 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038909545 850077205 /nfs/dbraw/zinc/07/72/05/850077205.db2.gz QGKYPZDNOCKUCT-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038909545 850077215 /nfs/dbraw/zinc/07/72/15/850077215.db2.gz QGKYPZDNOCKUCT-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001039045992 850137298 /nfs/dbraw/zinc/13/72/98/850137298.db2.gz VDHIFECUQRUHGH-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001039045992 850137308 /nfs/dbraw/zinc/13/73/08/850137308.db2.gz VDHIFECUQRUHGH-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039052425 850140690 /nfs/dbraw/zinc/14/06/90/850140690.db2.gz AJDUEHPPAYBSIO-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039052425 850140697 /nfs/dbraw/zinc/14/06/97/850140697.db2.gz AJDUEHPPAYBSIO-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039063540 850142042 /nfs/dbraw/zinc/14/20/42/850142042.db2.gz RXPUPKJYGOEVAB-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039063540 850142047 /nfs/dbraw/zinc/14/20/47/850142047.db2.gz RXPUPKJYGOEVAB-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001041778888 850501160 /nfs/dbraw/zinc/50/11/60/850501160.db2.gz HSEJFBHAWDULJR-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001041778888 850501168 /nfs/dbraw/zinc/50/11/68/850501168.db2.gz HSEJFBHAWDULJR-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CCN(CC#N)C2)C1 ZINC001041786150 850502039 /nfs/dbraw/zinc/50/20/39/850502039.db2.gz FCJRZUDYYVYRIJ-HNNXBMFYSA-N 1 2 287.367 0.411 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042089937 850578285 /nfs/dbraw/zinc/57/82/85/850578285.db2.gz HEKFKVWHVFROON-OCCSQVGLSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042089937 850578295 /nfs/dbraw/zinc/57/82/95/850578295.db2.gz HEKFKVWHVFROON-OCCSQVGLSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042174395 850587837 /nfs/dbraw/zinc/58/78/37/850587837.db2.gz WWSOHFOREWRTHT-UONOGXRCSA-N 1 2 287.367 0.720 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001042814605 850762881 /nfs/dbraw/zinc/76/28/81/850762881.db2.gz RHVQFLVPEZIPSQ-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001042837003 850766755 /nfs/dbraw/zinc/76/67/55/850766755.db2.gz HESKYEFMQMKION-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043124788 850818048 /nfs/dbraw/zinc/81/80/48/850818048.db2.gz VADNQIUHECDSOQ-LBPRGKRZSA-N 1 2 274.368 0.774 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(OC)n2)C1 ZINC001043305278 850851765 /nfs/dbraw/zinc/85/17/65/850851765.db2.gz APDBDJVQDWWEDM-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001043673325 850921089 /nfs/dbraw/zinc/92/10/89/850921089.db2.gz FGAGNQAOENBNQO-LLVKDONJSA-N 1 2 275.356 0.553 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2OC)C1 ZINC001043728566 850929038 /nfs/dbraw/zinc/92/90/38/850929038.db2.gz FCBHUQBYQQKKLR-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CC=C)nn2)C1 ZINC001044023042 850987864 /nfs/dbraw/zinc/98/78/64/850987864.db2.gz YIEPAQXWFNMTJY-UHFFFAOYSA-N 1 2 273.340 0.244 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001095968265 850993033 /nfs/dbraw/zinc/99/30/33/850993033.db2.gz PSGWGGVGWNGSGU-SCVCMEIPSA-N 1 2 276.340 0.647 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001095968265 850993038 /nfs/dbraw/zinc/99/30/38/850993038.db2.gz PSGWGGVGWNGSGU-SCVCMEIPSA-N 1 2 276.340 0.647 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044794638 851160754 /nfs/dbraw/zinc/16/07/54/851160754.db2.gz XLBHQLHBZFQOFD-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO CS[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046009167 851348675 /nfs/dbraw/zinc/34/86/75/851348675.db2.gz NUPPMLQWGHWZRP-STQMWFEESA-N 1 2 296.440 0.480 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001046019499 851355962 /nfs/dbraw/zinc/35/59/62/851355962.db2.gz DXTATLUCDFNGTI-OAHLLOKOSA-N 1 2 288.395 0.839 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC001046029826 851357569 /nfs/dbraw/zinc/35/75/69/851357569.db2.gz CFLZVCNQPRJJBZ-CQSZACIVSA-N 1 2 287.367 0.370 20 30 CCEDLO CC1(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046043714 851357946 /nfs/dbraw/zinc/35/79/46/851357946.db2.gz KSWZEGKLEHTZGC-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO CC(C)[C@H](F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046053265 851360439 /nfs/dbraw/zinc/36/04/39/851360439.db2.gz WWILNVVTURUNCK-KGLIPLIRSA-N 1 2 296.390 0.723 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001046133339 851390347 /nfs/dbraw/zinc/39/03/47/851390347.db2.gz RETXUICOSGCGEM-GFCCVEGCSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001046133339 851390350 /nfs/dbraw/zinc/39/03/50/851390350.db2.gz RETXUICOSGCGEM-GFCCVEGCSA-N 1 2 264.354 0.674 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046465171 851518890 /nfs/dbraw/zinc/51/88/90/851518890.db2.gz WWVGWHZNTIGHAH-DGCLKSJQSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046465171 851518899 /nfs/dbraw/zinc/51/88/99/851518899.db2.gz WWVGWHZNTIGHAH-DGCLKSJQSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#N)C2 ZINC001047191140 851680361 /nfs/dbraw/zinc/68/03/61/851680361.db2.gz PAHXGYZNEHZKRO-AVGNSLFASA-N 1 2 287.367 0.753 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047270017 851685126 /nfs/dbraw/zinc/68/51/26/851685126.db2.gz QGAOOOGHDCYOMB-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047270017 851685131 /nfs/dbraw/zinc/68/51/31/851685131.db2.gz QGAOOOGHDCYOMB-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001047292106 851700928 /nfs/dbraw/zinc/70/09/28/851700928.db2.gz AULFRHYVMLSTNK-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001047292106 851700933 /nfs/dbraw/zinc/70/09/33/851700933.db2.gz AULFRHYVMLSTNK-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001047544267 851808216 /nfs/dbraw/zinc/80/82/16/851808216.db2.gz RBNCMFIKZNVRMP-GJZGRUSLSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001047544267 851808225 /nfs/dbraw/zinc/80/82/25/851808225.db2.gz RBNCMFIKZNVRMP-GJZGRUSLSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nccn3c2)C1 ZINC001047592289 851828785 /nfs/dbraw/zinc/82/87/85/851828785.db2.gz IYMOKBWNMGGIMQ-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nccn3c2)C1 ZINC001047592289 851828791 /nfs/dbraw/zinc/82/87/91/851828791.db2.gz IYMOKBWNMGGIMQ-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001096260414 851872487 /nfs/dbraw/zinc/87/24/87/851872487.db2.gz ALWYDUWOIWZHGK-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO C#C[C@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001308883403 908441252 /nfs/dbraw/zinc/44/12/52/908441252.db2.gz RXIBFBCXVLWGPV-MRVPVSSYSA-N 1 2 259.352 0.235 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnns1 ZINC001049353789 852239770 /nfs/dbraw/zinc/23/97/70/852239770.db2.gz NFVODPYXGSNENX-QWRGUYRKSA-N 1 2 276.365 0.850 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnns1 ZINC001049353789 852239778 /nfs/dbraw/zinc/23/97/78/852239778.db2.gz NFVODPYXGSNENX-QWRGUYRKSA-N 1 2 276.365 0.850 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626182 852321382 /nfs/dbraw/zinc/32/13/82/852321382.db2.gz OWOIBDLZHYADET-KGLIPLIRSA-N 1 2 287.367 0.862 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001097470513 852539364 /nfs/dbraw/zinc/53/93/64/852539364.db2.gz BZWPKGXLNKQIMD-LOWDOPEQSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001097470513 852539368 /nfs/dbraw/zinc/53/93/68/852539368.db2.gz BZWPKGXLNKQIMD-LOWDOPEQSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cocn1)CCO2 ZINC001053189762 852704935 /nfs/dbraw/zinc/70/49/35/852704935.db2.gz YHMPUNYIEIBLQC-UHFFFAOYSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnco1)O2 ZINC001053634306 852772398 /nfs/dbraw/zinc/77/23/98/852772398.db2.gz PVQWLTFTNJKQLW-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccncn1)O2 ZINC001053677617 852776495 /nfs/dbraw/zinc/77/64/95/852776495.db2.gz DOXJJJLOSBZKMM-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncccn1)O2 ZINC001053677787 852776601 /nfs/dbraw/zinc/77/66/01/852776601.db2.gz JOEIMVSFRMCPCO-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC1)CO2 ZINC001053713461 852786278 /nfs/dbraw/zinc/78/62/78/852786278.db2.gz LSTZCUVJSXURQA-GFCCVEGCSA-N 1 2 250.342 0.932 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1)CO2 ZINC001053737800 852796326 /nfs/dbraw/zinc/79/63/26/852796326.db2.gz WYEADXNBRYNEOI-CYBMUJFWSA-N 1 2 274.320 0.876 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCO1)CO2 ZINC001053748505 852801682 /nfs/dbraw/zinc/80/16/82/852801682.db2.gz YJGKABJPSKOYIS-KGLIPLIRSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncs1)CO2 ZINC001053749989 852802213 /nfs/dbraw/zinc/80/22/13/852802213.db2.gz CQCYVAITOKBKIS-LLVKDONJSA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C)[nH]1)CO2 ZINC001053756847 852805780 /nfs/dbraw/zinc/80/57/80/852805780.db2.gz GUFLOFLOGDLVEC-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CO2 ZINC001053755937 852806734 /nfs/dbraw/zinc/80/67/34/852806734.db2.gz LZBFSAUVYVZLEF-ZIAGYGMSSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCOC1)CO2 ZINC001053761667 852809782 /nfs/dbraw/zinc/80/97/82/852809782.db2.gz GWIHBXMDASVUQM-KGLIPLIRSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053766708 852813070 /nfs/dbraw/zinc/81/30/70/852813070.db2.gz SYOXAEMGXKQPIY-ZDUSSCGKSA-N 1 2 298.346 0.483 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnccc1C)CO2 ZINC001053768523 852813345 /nfs/dbraw/zinc/81/33/45/852813345.db2.gz CBEHSEOKTZALTJ-AWEZNQCLSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CC3)CO2 ZINC001053937788 852850984 /nfs/dbraw/zinc/85/09/84/852850984.db2.gz JZAZMRZYDXZISX-CHWSQXEVSA-N 1 2 274.364 0.769 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)nc1 ZINC001053985702 852864893 /nfs/dbraw/zinc/86/48/93/852864893.db2.gz XESKXQZHJUWFGQ-CYBMUJFWSA-N 1 2 285.347 0.656 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]cc1C)CO2 ZINC001054007169 852867336 /nfs/dbraw/zinc/86/73/36/852867336.db2.gz ZEBUQGMEBBDVCX-CYBMUJFWSA-N 1 2 287.363 0.920 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)c1 ZINC001050864600 853467478 /nfs/dbraw/zinc/46/74/78/853467478.db2.gz DUZDFVFYMASVKZ-CYBMUJFWSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)c1 ZINC001050864600 853467480 /nfs/dbraw/zinc/46/74/80/853467480.db2.gz DUZDFVFYMASVKZ-CYBMUJFWSA-N 1 2 288.351 0.727 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)c1 ZINC001051105403 853525738 /nfs/dbraw/zinc/52/57/38/853525738.db2.gz FMMWQVPEOWBWIM-INIZCTEOSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)c1 ZINC001051105403 853525742 /nfs/dbraw/zinc/52/57/42/853525742.db2.gz FMMWQVPEOWBWIM-INIZCTEOSA-N 1 2 299.374 0.904 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051971274 853667566 /nfs/dbraw/zinc/66/75/66/853667566.db2.gz GIMVZXMPIBULKU-AWEZNQCLSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051971274 853667571 /nfs/dbraw/zinc/66/75/71/853667571.db2.gz GIMVZXMPIBULKU-AWEZNQCLSA-N 1 2 287.363 0.745 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051997379 853672199 /nfs/dbraw/zinc/67/21/99/853672199.db2.gz AXRJNRINQRLJIG-LSDHHAIUSA-N 1 2 288.395 0.388 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[nH]c3)C2)CC1 ZINC001052029793 853677417 /nfs/dbraw/zinc/67/74/17/853677417.db2.gz BEUNHFOKFFUBSS-OAHLLOKOSA-N 1 2 286.379 0.480 20 30 CCEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CCC1 ZINC001052065851 853682059 /nfs/dbraw/zinc/68/20/59/853682059.db2.gz OXZKZHKWSVWBSG-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052065931 853682398 /nfs/dbraw/zinc/68/23/98/853682398.db2.gz PXQQCANKWKHHKB-BZUAXINKSA-N 1 2 289.423 0.884 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 ZINC001072027396 854336722 /nfs/dbraw/zinc/33/67/22/854336722.db2.gz YJSDSZSVJBBVBP-JQWIXIFHSA-N 1 2 275.356 0.753 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128107 854676553 /nfs/dbraw/zinc/67/65/53/854676553.db2.gz MNVHECVDHFJISH-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128107 854676556 /nfs/dbraw/zinc/67/65/56/854676556.db2.gz MNVHECVDHFJISH-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074245503 854704347 /nfs/dbraw/zinc/70/43/47/854704347.db2.gz POKAYXYSURCTGS-CABCVRRESA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074245503 854704351 /nfs/dbraw/zinc/70/43/51/854704351.db2.gz POKAYXYSURCTGS-CABCVRRESA-N 1 2 287.363 0.953 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)/C(C)=C/C)C2)nn1 ZINC001098649412 854873133 /nfs/dbraw/zinc/87/31/33/854873133.db2.gz QPUVJTCXPZTIKV-CLUXPMKYSA-N 1 2 287.367 0.741 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099811938 855000916 /nfs/dbraw/zinc/00/09/16/855000916.db2.gz AGOCYMPNNXOVKN-CHWSQXEVSA-N 1 2 282.771 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099811938 855000919 /nfs/dbraw/zinc/00/09/19/855000919.db2.gz AGOCYMPNNXOVKN-CHWSQXEVSA-N 1 2 282.771 0.704 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccncc1C#N ZINC001100589847 855194048 /nfs/dbraw/zinc/19/40/48/855194048.db2.gz WAHDOKMWIYNXGJ-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC(NCC#N)C1 ZINC001100918089 855237710 /nfs/dbraw/zinc/23/77/10/855237710.db2.gz DJQBYEIFESXFPD-UHFFFAOYSA-N 1 2 261.329 0.269 20 30 CCEDLO Cc1nc(N2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001100950074 855246748 /nfs/dbraw/zinc/24/67/48/855246748.db2.gz NEBDOVPUWFHJFR-PWSUYJOCSA-N 1 2 273.340 0.887 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101781063 855363325 /nfs/dbraw/zinc/36/33/25/855363325.db2.gz AWRGVIFOFVZBET-NSHDSACASA-N 1 2 276.340 0.694 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021521 855408093 /nfs/dbraw/zinc/40/80/93/855408093.db2.gz NJMMKTIFGBSJTA-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021521 855408095 /nfs/dbraw/zinc/40/80/95/855408095.db2.gz NJMMKTIFGBSJTA-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643962 855525094 /nfs/dbraw/zinc/52/50/94/855525094.db2.gz ZEWVUDUBPXXBFQ-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001115766959 855694681 /nfs/dbraw/zinc/69/46/81/855694681.db2.gz VDGGFAXTIQQQPQ-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)COCC)C1 ZINC001149074564 855740562 /nfs/dbraw/zinc/74/05/62/855740562.db2.gz PEZNGPKNXYMTHP-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)COCC)C1 ZINC001149074564 855740566 /nfs/dbraw/zinc/74/05/66/855740566.db2.gz PEZNGPKNXYMTHP-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO COCC#CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001119116883 856565521 /nfs/dbraw/zinc/56/55/21/856565521.db2.gz WIKQRQFQWMCWIE-CQSZACIVSA-N 1 2 276.311 0.948 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC001119608802 856775841 /nfs/dbraw/zinc/77/58/41/856775841.db2.gz HNDOTEHLJHLTHR-UHFFFAOYSA-N 1 2 268.342 0.578 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001323293366 912248456 /nfs/dbraw/zinc/24/84/56/912248456.db2.gz LWDBTRJBAFEPIK-MNOVXSKESA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001323293366 912248475 /nfs/dbraw/zinc/24/84/75/912248475.db2.gz LWDBTRJBAFEPIK-MNOVXSKESA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001323293368 912249599 /nfs/dbraw/zinc/24/95/99/912249599.db2.gz LWDBTRJBAFEPIK-QWRGUYRKSA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001323293368 912249618 /nfs/dbraw/zinc/24/96/18/912249618.db2.gz LWDBTRJBAFEPIK-QWRGUYRKSA-N 1 2 296.371 0.117 20 30 CCEDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)co1 ZINC001323406410 912329340 /nfs/dbraw/zinc/32/93/40/912329340.db2.gz PKEIQLXTXCPCSZ-SECBINFHSA-N 1 2 262.313 0.881 20 30 CCEDLO CC(C)[C@@H]([NH2+]CC(=O)NCCC#N)c1nncn1C ZINC001323546766 912404349 /nfs/dbraw/zinc/40/43/49/912404349.db2.gz XQRDYCRDHDDYTC-LLVKDONJSA-N 1 2 264.333 0.132 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CO[C@H]2CCOC2)C1 ZINC001323921917 912582106 /nfs/dbraw/zinc/58/21/06/912582106.db2.gz VRGYPRKNJTWPRC-ZDUSSCGKSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001324017754 912632015 /nfs/dbraw/zinc/63/20/15/912632015.db2.gz MUEGZXMICJUEKT-UHFFFAOYSA-N 1 2 292.383 0.931 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222427 913287130 /nfs/dbraw/zinc/28/71/30/913287130.db2.gz HIRWNLSNCMTITN-GHMZBOCLSA-N 1 2 292.387 0.858 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222427 913287138 /nfs/dbraw/zinc/28/71/38/913287138.db2.gz HIRWNLSNCMTITN-GHMZBOCLSA-N 1 2 292.387 0.858 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001325284128 913321174 /nfs/dbraw/zinc/32/11/74/913321174.db2.gz HIVKGQKKZNPXSM-NSHDSACASA-N 1 2 297.380 0.163 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC001325309284 913334158 /nfs/dbraw/zinc/33/41/58/913334158.db2.gz WZCPKOGEHUJKDO-UONOGXRCSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC001325309285 913334459 /nfs/dbraw/zinc/33/44/59/913334459.db2.gz WZCPKOGEHUJKDO-ZIAGYGMSSA-N 1 2 294.395 0.520 20 30 CCEDLO Cc1oncc1C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862658 891405971 /nfs/dbraw/zinc/40/59/71/891405971.db2.gz YTCDYZCWVNWHKW-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO Cc1oncc1C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862658 891405979 /nfs/dbraw/zinc/40/59/79/891405979.db2.gz YTCDYZCWVNWHKW-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ocnc1CC ZINC001480911422 891754289 /nfs/dbraw/zinc/75/42/89/891754289.db2.gz ZOJCKQMUTRXLNQ-UHFFFAOYSA-N 1 2 294.355 0.201 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ocnc1CC ZINC001480911422 891754295 /nfs/dbraw/zinc/75/42/95/891754295.db2.gz ZOJCKQMUTRXLNQ-UHFFFAOYSA-N 1 2 294.355 0.201 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001480921809 891812788 /nfs/dbraw/zinc/81/27/88/891812788.db2.gz VNOXMFNIIGQANZ-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001480921809 891812796 /nfs/dbraw/zinc/81/27/96/891812796.db2.gz VNOXMFNIIGQANZ-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](CCC[C@H](C)O)C2)nn1 ZINC001481587726 892872065 /nfs/dbraw/zinc/87/20/65/892872065.db2.gz YGPTXIHQWXEKFG-NSHDSACASA-N 1 2 293.371 0.039 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COc2cccnc2)C1 ZINC001481589620 892876184 /nfs/dbraw/zinc/87/61/84/892876184.db2.gz AYISWXAPXWEWNW-UHFFFAOYSA-N 1 2 259.309 0.284 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CCC2CC2)C1 ZINC001481618697 892913442 /nfs/dbraw/zinc/91/34/42/892913442.db2.gz LMSOAECUBQDKMD-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001481622946 892921783 /nfs/dbraw/zinc/92/17/83/892921783.db2.gz SHZMSGKIKAFEGQ-HNNXBMFYSA-N 1 2 292.383 0.295 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001481667521 892987941 /nfs/dbraw/zinc/98/79/41/892987941.db2.gz GNFCFLSRVBPGRO-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001481667521 892987953 /nfs/dbraw/zinc/98/79/53/892987953.db2.gz GNFCFLSRVBPGRO-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001481687606 893006895 /nfs/dbraw/zinc/00/68/95/893006895.db2.gz HRQQCESGPSYAGJ-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001481687606 893006916 /nfs/dbraw/zinc/00/69/16/893006916.db2.gz HRQQCESGPSYAGJ-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001481704437 893050036 /nfs/dbraw/zinc/05/00/36/893050036.db2.gz DAGJTIOFQDZJGX-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001481704437 893050054 /nfs/dbraw/zinc/05/00/54/893050054.db2.gz DAGJTIOFQDZJGX-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001481706445 893056461 /nfs/dbraw/zinc/05/64/61/893056461.db2.gz GPSUOHUOJNJBBA-CYBMUJFWSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001481706445 893056483 /nfs/dbraw/zinc/05/64/83/893056483.db2.gz GPSUOHUOJNJBBA-CYBMUJFWSA-N 1 2 291.395 0.835 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001481719139 893082335 /nfs/dbraw/zinc/08/23/35/893082335.db2.gz GDAJNJKINVTATE-CHWSQXEVSA-N 1 2 294.399 0.451 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001481719139 893082354 /nfs/dbraw/zinc/08/23/54/893082354.db2.gz GDAJNJKINVTATE-CHWSQXEVSA-N 1 2 294.399 0.451 20 30 CCEDLO CCN(C(=O)CCCF)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772352 893134300 /nfs/dbraw/zinc/13/43/00/893134300.db2.gz GCVYUKHGEWHQRP-GFCCVEGCSA-N 1 2 298.362 0.299 20 30 CCEDLO CCN(C(=O)CCCF)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772352 893134308 /nfs/dbraw/zinc/13/43/08/893134308.db2.gz GCVYUKHGEWHQRP-GFCCVEGCSA-N 1 2 298.362 0.299 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCCN1CC#N ZINC001284132793 893317893 /nfs/dbraw/zinc/31/78/93/893317893.db2.gz XKLDKANSVMNMDF-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)CC2(CC#N)CC2)c1 ZINC001414283503 893901074 /nfs/dbraw/zinc/90/10/74/893901074.db2.gz XVJPFAYBLSCBFC-UHFFFAOYSA-N 1 2 282.369 0.576 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1cncc(C#N)n1 ZINC001396160724 913822220 /nfs/dbraw/zinc/82/22/20/913822220.db2.gz ZCPBQGUAHMQPEM-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO N#CCNC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001482698602 894494595 /nfs/dbraw/zinc/49/45/95/894494595.db2.gz LYYFHQLHLHXCHD-RYUDHWBXSA-N 1 2 261.329 0.281 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409350623 895148451 /nfs/dbraw/zinc/14/84/51/895148451.db2.gz BNKKSDSBJXUTDE-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409350623 895148457 /nfs/dbraw/zinc/14/84/57/895148457.db2.gz BNKKSDSBJXUTDE-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CSCC#N ZINC001483311215 895421323 /nfs/dbraw/zinc/42/13/23/895421323.db2.gz JFALTGOGEFPOTI-LLVKDONJSA-N 1 2 295.412 0.613 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CSCC#N ZINC001483311215 895421334 /nfs/dbraw/zinc/42/13/34/895421334.db2.gz JFALTGOGEFPOTI-LLVKDONJSA-N 1 2 295.412 0.613 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001483367719 895505812 /nfs/dbraw/zinc/50/58/12/895505812.db2.gz LELXYQFOSPHYBU-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001483367719 895505825 /nfs/dbraw/zinc/50/58/25/895505825.db2.gz LELXYQFOSPHYBU-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001483413174 895549468 /nfs/dbraw/zinc/54/94/68/895549468.db2.gz JXZSJKDTVXNQLY-SNVBAGLBSA-N 1 2 271.752 0.467 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001483413174 895549475 /nfs/dbraw/zinc/54/94/75/895549475.db2.gz JXZSJKDTVXNQLY-SNVBAGLBSA-N 1 2 271.752 0.467 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001483639507 895773325 /nfs/dbraw/zinc/77/33/25/895773325.db2.gz IROLZSMSOARBJH-JQWIXIFHSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001483639507 895773346 /nfs/dbraw/zinc/77/33/46/895773346.db2.gz IROLZSMSOARBJH-JQWIXIFHSA-N 1 2 261.329 0.270 20 30 CCEDLO C=CCCC(=O)N(C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001483855543 896075695 /nfs/dbraw/zinc/07/56/95/896075695.db2.gz IBSIJXDNHWYRPQ-UHFFFAOYSA-N 1 2 289.379 0.994 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001483869730 896094010 /nfs/dbraw/zinc/09/40/10/896094010.db2.gz GAWFUSSUVRZTAO-CHWSQXEVSA-N 1 2 282.384 0.757 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001483886441 896106586 /nfs/dbraw/zinc/10/65/86/896106586.db2.gz WUHTYWCPLKBABE-LBPRGKRZSA-N 1 2 294.399 0.235 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001484261943 896290093 /nfs/dbraw/zinc/29/00/93/896290093.db2.gz GDFGQHHWFPALPZ-CYBMUJFWSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001484269703 896307462 /nfs/dbraw/zinc/30/74/62/896307462.db2.gz DRDBLRQTHIGNJK-DGCLKSJQSA-N 1 2 288.363 0.225 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2coc(C)n2)C1 ZINC001484433943 896405951 /nfs/dbraw/zinc/40/59/51/896405951.db2.gz JWQQBXDEVMTRJI-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2coc(C)n2)C1 ZINC001484433943 896405956 /nfs/dbraw/zinc/40/59/56/896405956.db2.gz JWQQBXDEVMTRJI-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001484610872 896497064 /nfs/dbraw/zinc/49/70/64/896497064.db2.gz VOJRFPXVAJVJBL-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001484610872 896497066 /nfs/dbraw/zinc/49/70/66/896497066.db2.gz VOJRFPXVAJVJBL-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001326648896 914075480 /nfs/dbraw/zinc/07/54/80/914075480.db2.gz ZWMAETMXFBDXJE-GJZGRUSLSA-N 1 2 296.411 0.768 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001326648896 914075498 /nfs/dbraw/zinc/07/54/98/914075498.db2.gz ZWMAETMXFBDXJE-GJZGRUSLSA-N 1 2 296.411 0.768 20 30 CCEDLO N#CCNC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001485038921 896728150 /nfs/dbraw/zinc/72/81/50/896728150.db2.gz PZOHHRPFLFFBTC-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO CCOCCC[NH+]1CC(CCO)(NC(=O)[C@H](C)C#N)C1 ZINC001485400023 897030206 /nfs/dbraw/zinc/03/02/06/897030206.db2.gz BVZWLPXRDALFHZ-GFCCVEGCSA-N 1 2 283.372 0.126 20 30 CCEDLO CCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001485679336 897176294 /nfs/dbraw/zinc/17/62/94/897176294.db2.gz MVQNIMAPXHDKBS-DCAQKATOSA-N 1 2 291.355 0.776 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(N(C)C)cn1 ZINC001032403695 897460152 /nfs/dbraw/zinc/46/01/52/897460152.db2.gz HNWMJDBDBCZGHO-STQMWFEESA-N 1 2 299.378 0.465 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(N(C)C)cn1 ZINC001032403695 897460157 /nfs/dbraw/zinc/46/01/57/897460157.db2.gz HNWMJDBDBCZGHO-STQMWFEESA-N 1 2 299.378 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001032410061 897491145 /nfs/dbraw/zinc/49/11/45/897491145.db2.gz OWUHQLYZIJXQPL-XQLPTFJDSA-N 1 2 274.364 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001032410061 897491155 /nfs/dbraw/zinc/49/11/55/897491155.db2.gz OWUHQLYZIJXQPL-XQLPTFJDSA-N 1 2 274.364 0.886 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(C)C ZINC001032422432 897542332 /nfs/dbraw/zinc/54/23/32/897542332.db2.gz BHDQUUTUKGHASQ-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(C)C ZINC001032422432 897542346 /nfs/dbraw/zinc/54/23/46/897542346.db2.gz BHDQUUTUKGHASQ-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001032475823 897620675 /nfs/dbraw/zinc/62/06/75/897620675.db2.gz LGZMUEDJVLOHNN-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001032475823 897620681 /nfs/dbraw/zinc/62/06/81/897620681.db2.gz LGZMUEDJVLOHNN-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001032507408 897669867 /nfs/dbraw/zinc/66/98/67/897669867.db2.gz ZXETZWXBQXYALD-AVGNSLFASA-N 1 2 298.408 0.282 20 30 CCEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001032507408 897669874 /nfs/dbraw/zinc/66/98/74/897669874.db2.gz ZXETZWXBQXYALD-AVGNSLFASA-N 1 2 298.408 0.282 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncco1 ZINC001272801469 897690275 /nfs/dbraw/zinc/69/02/75/897690275.db2.gz GNMPFAHEFUBEJR-VXGBXAGGSA-N 1 2 259.309 0.873 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncco1 ZINC001272801469 897690277 /nfs/dbraw/zinc/69/02/77/897690277.db2.gz GNMPFAHEFUBEJR-VXGBXAGGSA-N 1 2 259.309 0.873 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccn2c1 ZINC001032520071 897693886 /nfs/dbraw/zinc/69/38/86/897693886.db2.gz BPDJDIXKOIFDLF-KBPBESRZSA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccn2c1 ZINC001032520071 897693894 /nfs/dbraw/zinc/69/38/94/897693894.db2.gz BPDJDIXKOIFDLF-KBPBESRZSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cc(C)no2)CC1 ZINC001032585968 897777692 /nfs/dbraw/zinc/77/76/92/897777692.db2.gz FPQCIECEIQOUMT-STQMWFEESA-N 1 2 285.347 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cc(C)no2)CC1 ZINC001032585968 897777703 /nfs/dbraw/zinc/77/77/03/897777703.db2.gz FPQCIECEIQOUMT-STQMWFEESA-N 1 2 285.347 0.933 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)n1 ZINC001032633090 897855984 /nfs/dbraw/zinc/85/59/84/897855984.db2.gz PVYMOQSHZFZPIR-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)n1 ZINC001032633090 897855996 /nfs/dbraw/zinc/85/59/96/897855996.db2.gz PVYMOQSHZFZPIR-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077821784 897859446 /nfs/dbraw/zinc/85/94/46/897859446.db2.gz GKVNPCHQWBKZQU-LOWDOPEQSA-N 1 2 286.347 0.098 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077821784 897859454 /nfs/dbraw/zinc/85/94/54/897859454.db2.gz GKVNPCHQWBKZQU-LOWDOPEQSA-N 1 2 286.347 0.098 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCOCC1 ZINC001032660447 897911034 /nfs/dbraw/zinc/91/10/34/897911034.db2.gz IRZVJGGJPXRFHS-KBPBESRZSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCOCC1 ZINC001032660447 897911049 /nfs/dbraw/zinc/91/10/49/897911049.db2.gz IRZVJGGJPXRFHS-KBPBESRZSA-N 1 2 292.379 0.490 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001032667846 897917689 /nfs/dbraw/zinc/91/76/89/897917689.db2.gz MCEMZOOCZLTJNV-RDBSUJKOSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001032667846 897917700 /nfs/dbraw/zinc/91/77/00/897917700.db2.gz MCEMZOOCZLTJNV-RDBSUJKOSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001077845034 897975879 /nfs/dbraw/zinc/97/58/79/897975879.db2.gz HMKQTGNCGIVWMI-NILFDRSVSA-N 1 2 290.363 0.794 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001077845034 897975882 /nfs/dbraw/zinc/97/58/82/897975882.db2.gz HMKQTGNCGIVWMI-NILFDRSVSA-N 1 2 290.363 0.794 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCN(C)C1=O ZINC001032728488 898021782 /nfs/dbraw/zinc/02/17/82/898021782.db2.gz DXVMGXTVTUMMDM-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCN(C)C1=O ZINC001032728488 898021793 /nfs/dbraw/zinc/02/17/93/898021793.db2.gz DXVMGXTVTUMMDM-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1-c1ccon1 ZINC001032736090 898037217 /nfs/dbraw/zinc/03/72/17/898037217.db2.gz VJNAVHDGYQVGFJ-QWRGUYRKSA-N 1 2 298.302 0.862 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1-c1ccon1 ZINC001032736090 898037228 /nfs/dbraw/zinc/03/72/28/898037228.db2.gz VJNAVHDGYQVGFJ-QWRGUYRKSA-N 1 2 298.302 0.862 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001272841899 898071158 /nfs/dbraw/zinc/07/11/58/898071158.db2.gz AIDYNYYYEOYJFM-CHWSQXEVSA-N 1 2 283.372 0.390 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001272841899 898071168 /nfs/dbraw/zinc/07/11/68/898071168.db2.gz AIDYNYYYEOYJFM-CHWSQXEVSA-N 1 2 283.372 0.390 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001077978368 898136366 /nfs/dbraw/zinc/13/63/66/898136366.db2.gz DLUHMRZKPZZMJP-IACUBPJLSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001077978368 898136378 /nfs/dbraw/zinc/13/63/78/898136378.db2.gz DLUHMRZKPZZMJP-IACUBPJLSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001078012085 898179464 /nfs/dbraw/zinc/17/94/64/898179464.db2.gz URNSJRUYMMLSTE-CHWSQXEVSA-N 1 2 290.363 0.813 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001078012085 898179476 /nfs/dbraw/zinc/17/94/76/898179476.db2.gz URNSJRUYMMLSTE-CHWSQXEVSA-N 1 2 290.363 0.813 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001032794457 898304241 /nfs/dbraw/zinc/30/42/41/898304241.db2.gz NDGPYLHHKOCRRK-SNPRPXQTSA-N 1 2 298.390 0.823 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001032794457 898304253 /nfs/dbraw/zinc/30/42/53/898304253.db2.gz NDGPYLHHKOCRRK-SNPRPXQTSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001078256969 898317685 /nfs/dbraw/zinc/31/76/85/898317685.db2.gz MJWHXIXKQZAZHA-NWINJMCUSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001078256969 898317698 /nfs/dbraw/zinc/31/76/98/898317698.db2.gz MJWHXIXKQZAZHA-NWINJMCUSA-N 1 2 278.396 0.853 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(NCC#N)CCC1 ZINC001326899386 914257202 /nfs/dbraw/zinc/25/72/02/914257202.db2.gz OAXBJGPGRHRTAK-NSHDSACASA-N 1 2 275.356 0.740 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(NCC#N)CCC1 ZINC001326899386 914257218 /nfs/dbraw/zinc/25/72/18/914257218.db2.gz OAXBJGPGRHRTAK-NSHDSACASA-N 1 2 275.356 0.740 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)NCC#N ZINC001485895791 898492409 /nfs/dbraw/zinc/49/24/09/898492409.db2.gz VQEIHBQMOXKABN-NWDGAFQWSA-N 1 2 275.356 0.406 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)n2cc[nH+]c2)C1=O ZINC001327013678 914313748 /nfs/dbraw/zinc/31/37/48/914313748.db2.gz URZVCNBZOULWNM-NEPJUHHUSA-N 1 2 276.340 0.689 20 30 CCEDLO CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001490304032 900595733 /nfs/dbraw/zinc/59/57/33/900595733.db2.gz SVZGCEHLTUGQEF-QWHCGFSZSA-N 1 2 289.383 0.730 20 30 CCEDLO COC[C@H](C)[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490492300 900640308 /nfs/dbraw/zinc/64/03/08/900640308.db2.gz FSWMTPBHMDUBTK-UONOGXRCSA-N 1 2 296.415 0.162 20 30 CCEDLO CC1(CC(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001490499849 900643495 /nfs/dbraw/zinc/64/34/95/900643495.db2.gz NPBNWAZZLOYVER-UHFFFAOYSA-N 1 2 264.373 0.434 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001490530472 900646160 /nfs/dbraw/zinc/64/61/60/900646160.db2.gz MHHUHKWNONGKRL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001490530472 900646165 /nfs/dbraw/zinc/64/61/65/900646165.db2.gz MHHUHKWNONGKRL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C/C(=C\C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001490524482 900661283 /nfs/dbraw/zinc/66/12/83/900661283.db2.gz IATTYVYMBITLSM-YKWSONSWSA-N 1 2 290.367 0.173 20 30 CCEDLO C/C(=C\C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001490524482 900661287 /nfs/dbraw/zinc/66/12/87/900661287.db2.gz IATTYVYMBITLSM-YKWSONSWSA-N 1 2 290.367 0.173 20 30 CCEDLO C[C@]1(C#N)CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001327297240 914468033 /nfs/dbraw/zinc/46/80/33/914468033.db2.gz KBTHAHMALUQSLW-CQSZACIVSA-N 1 2 289.339 0.152 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001411662043 901184501 /nfs/dbraw/zinc/18/45/01/901184501.db2.gz WLGBXKWLHXSUSZ-UWVGGRQHSA-N 1 2 277.328 0.075 20 30 CCEDLO CC(C)=CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001491195336 903441624 /nfs/dbraw/zinc/44/16/24/903441624.db2.gz CKWILMXSWWGHKP-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)=CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001491195336 903441630 /nfs/dbraw/zinc/44/16/30/903441630.db2.gz CKWILMXSWWGHKP-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001491207425 903445680 /nfs/dbraw/zinc/44/56/80/903445680.db2.gz ZIXNIWVHOUFTTA-LBPRGKRZSA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001491207425 903445682 /nfs/dbraw/zinc/44/56/82/903445682.db2.gz ZIXNIWVHOUFTTA-LBPRGKRZSA-N 1 2 265.357 0.102 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)[NH2+]Cc1cnsn1 ZINC001491396509 903541733 /nfs/dbraw/zinc/54/17/33/903541733.db2.gz BRQPTNRCJYVERH-MRVPVSSYSA-N 1 2 285.398 0.389 20 30 CCEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)COC ZINC001281768818 904345344 /nfs/dbraw/zinc/34/53/44/904345344.db2.gz UTYQYUXENZLYLS-OAHLLOKOSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)COC ZINC001281768818 904345358 /nfs/dbraw/zinc/34/53/58/904345358.db2.gz UTYQYUXENZLYLS-OAHLLOKOSA-N 1 2 272.348 0.982 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C)CC#N ZINC001282403544 904470648 /nfs/dbraw/zinc/47/06/48/904470648.db2.gz VZRMQVUAHXEFQL-GMTAPVOTSA-N 1 2 261.329 0.473 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C)CC#N ZINC001282403544 904470649 /nfs/dbraw/zinc/47/06/49/904470649.db2.gz VZRMQVUAHXEFQL-GMTAPVOTSA-N 1 2 261.329 0.473 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2cnccn2)C1 ZINC001282506380 904495004 /nfs/dbraw/zinc/49/50/04/904495004.db2.gz YASUEHCYXBUTIC-UHFFFAOYSA-N 1 2 276.340 0.219 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1(CCO)C[NH+](CCOC)C1 ZINC001282530903 904501242 /nfs/dbraw/zinc/50/12/42/904501242.db2.gz XVNIZUASYQWXLY-AWEZNQCLSA-N 1 2 284.400 0.788 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001282706200 904525535 /nfs/dbraw/zinc/52/55/35/904525535.db2.gz KKQAGZRILJYDAV-GFCCVEGCSA-N 1 2 289.379 0.139 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(C(N)=O)CC2)C1 ZINC001282734111 904529970 /nfs/dbraw/zinc/52/99/70/904529970.db2.gz AZENERGDKVGAIY-VIFPVBQESA-N 1 2 285.775 0.441 20 30 CCEDLO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001398796808 914843283 /nfs/dbraw/zinc/84/32/83/914843283.db2.gz LTPMPXNFEQQNAC-RNWYCLNJSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001398796808 914843302 /nfs/dbraw/zinc/84/33/02/914843302.db2.gz LTPMPXNFEQQNAC-RNWYCLNJSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCNC(=O)C2CC2)CC1 ZINC001283813848 905034132 /nfs/dbraw/zinc/03/41/32/905034132.db2.gz QQMLOWHOEAERTD-GFCCVEGCSA-N 1 2 292.383 0.207 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C[C@H]1C ZINC001283967658 905098000 /nfs/dbraw/zinc/09/80/00/905098000.db2.gz ZCUVSVYHXPIWBC-MNOVXSKESA-N 1 2 296.396 0.820 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001284008084 905116234 /nfs/dbraw/zinc/11/62/34/905116234.db2.gz BIBVUVKZQZAFIQ-ZDUSSCGKSA-N 1 2 288.351 0.404 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284091213 905143944 /nfs/dbraw/zinc/14/39/44/905143944.db2.gz BQWYDAFOJMULLE-TXEJJXNPSA-N 1 2 286.335 0.129 20 30 CCEDLO CC(C)C#CC(=O)NCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001284518916 905352418 /nfs/dbraw/zinc/35/24/18/905352418.db2.gz QEBWMWMBMAGVOJ-UHFFFAOYSA-N 1 2 290.367 0.197 20 30 CCEDLO C=C(CO)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001292059712 906188520 /nfs/dbraw/zinc/18/85/20/906188520.db2.gz PSTBLYKXQZYLRN-NSHDSACASA-N 1 2 251.330 0.963 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001297146746 907028697 /nfs/dbraw/zinc/02/86/97/907028697.db2.gz BRPDPPVZGOTWCA-WDEREUQCSA-N 1 2 290.367 0.737 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2cnon2)cn1 ZINC001491643997 907481012 /nfs/dbraw/zinc/48/10/12/907481012.db2.gz WFDSIXTXBJSLHC-JTQLQIEISA-N 1 2 285.307 0.354 20 30 CCEDLO C[C@@H](Nc1cnccc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC001338084703 921365155 /nfs/dbraw/zinc/36/51/55/921365155.db2.gz QUSUYGLKMSISRQ-BXUZGUMPSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1cnccc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC001338084703 921365166 /nfs/dbraw/zinc/36/51/66/921365166.db2.gz QUSUYGLKMSISRQ-BXUZGUMPSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001386320071 908703093 /nfs/dbraw/zinc/70/30/93/908703093.db2.gz BIVBVYKKVSLODN-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@@H](C)C#N ZINC001386320071 908703101 /nfs/dbraw/zinc/70/31/01/908703101.db2.gz BIVBVYKKVSLODN-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO CC[N@H+](CCCNC(=O)C#CC1CC1)Cc1nnc(C)[nH]1 ZINC001316889541 908819192 /nfs/dbraw/zinc/81/91/92/908819192.db2.gz FLJDJCQWBNEOTP-UHFFFAOYSA-N 1 2 289.383 0.855 20 30 CCEDLO CC[N@@H+](CCCNC(=O)C#CC1CC1)Cc1nnc(C)[nH]1 ZINC001316889541 908819195 /nfs/dbraw/zinc/81/91/95/908819195.db2.gz FLJDJCQWBNEOTP-UHFFFAOYSA-N 1 2 289.383 0.855 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001316976129 908895475 /nfs/dbraw/zinc/89/54/75/908895475.db2.gz KGBQSUNTHRIQFH-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001316976129 908895497 /nfs/dbraw/zinc/89/54/97/908895497.db2.gz KGBQSUNTHRIQFH-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001386975533 908983175 /nfs/dbraw/zinc/98/31/75/908983175.db2.gz OVXLZPYLJPCOLZ-WDEREUQCSA-N 1 2 277.328 0.054 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001317442220 909210882 /nfs/dbraw/zinc/21/08/82/909210882.db2.gz YTMOJPZBTZZAJF-UHFFFAOYSA-N 1 2 256.737 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001317442220 909210897 /nfs/dbraw/zinc/21/08/97/909210897.db2.gz YTMOJPZBTZZAJF-UHFFFAOYSA-N 1 2 256.737 0.753 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](CCC)OC)CC1 ZINC001317820693 909509903 /nfs/dbraw/zinc/50/99/03/909509903.db2.gz WIRLHMRLAKBSTK-OAHLLOKOSA-N 1 2 295.427 0.511 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001317957144 909551810 /nfs/dbraw/zinc/55/18/10/909551810.db2.gz TZBHRQNZDNIXMO-ZDUSSCGKSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001317957144 909551817 /nfs/dbraw/zinc/55/18/17/909551817.db2.gz TZBHRQNZDNIXMO-ZDUSSCGKSA-N 1 2 277.368 0.117 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn(C)c2)C1 ZINC001317999740 909566948 /nfs/dbraw/zinc/56/69/48/909566948.db2.gz UNIITGNXUDNCAN-UHFFFAOYSA-N 1 2 264.329 0.037 20 30 CCEDLO CC(C)OCCC[NH+]1CC(NC(=O)[C@H](C)C#N)C1 ZINC001318009816 909574146 /nfs/dbraw/zinc/57/41/46/909574146.db2.gz LFUWFQMGMGSUOB-LLVKDONJSA-N 1 2 253.346 0.762 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001318162116 909650604 /nfs/dbraw/zinc/65/06/04/909650604.db2.gz XYCCZPAKNNXTPZ-LLVKDONJSA-N 1 2 260.341 0.270 20 30 CCEDLO CC[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318400597 909744720 /nfs/dbraw/zinc/74/47/20/909744720.db2.gz SDGIMRLXVGAMPY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318400597 909744729 /nfs/dbraw/zinc/74/47/29/909744729.db2.gz SDGIMRLXVGAMPY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389923449 910145055 /nfs/dbraw/zinc/14/50/55/910145055.db2.gz MUGJDBVGZFFNPD-SNVBAGLBSA-N 1 2 289.339 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001389923449 910145063 /nfs/dbraw/zinc/14/50/63/910145063.db2.gz MUGJDBVGZFFNPD-SNVBAGLBSA-N 1 2 289.339 0.077 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320012005 910413649 /nfs/dbraw/zinc/41/36/49/910413649.db2.gz NDQLEBGKNNMQNS-LLVKDONJSA-N 1 2 250.302 0.833 20 30 CCEDLO C=CCC1(C(=O)N(C)CC[N@H+](C)CC(N)=O)CCCC1 ZINC001320097410 910463174 /nfs/dbraw/zinc/46/31/74/910463174.db2.gz RAWXZHCGIQUWII-UHFFFAOYSA-N 1 2 281.400 0.998 20 30 CCEDLO C=CCC1(C(=O)N(C)CC[N@@H+](C)CC(N)=O)CCCC1 ZINC001320097410 910463186 /nfs/dbraw/zinc/46/31/86/910463186.db2.gz RAWXZHCGIQUWII-UHFFFAOYSA-N 1 2 281.400 0.998 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001321065262 911058480 /nfs/dbraw/zinc/05/84/80/911058480.db2.gz SANIVUNBLVCSAE-AAOUONPWSA-N 1 2 272.352 0.725 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001321065263 911058910 /nfs/dbraw/zinc/05/89/10/911058910.db2.gz SANIVUNBLVCSAE-MVZIDQBPSA-N 1 2 272.352 0.725 20 30 CCEDLO N#CCC1(CS(=O)(=O)NCCCn2cc[nH+]c2)CC1 ZINC001474774438 911743271 /nfs/dbraw/zinc/74/32/71/911743271.db2.gz VQYPNMSXWGUEQR-UHFFFAOYSA-N 1 2 282.369 0.886 20 30 CCEDLO C[C@@H](C(=O)NC[C@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC001322300861 911753197 /nfs/dbraw/zinc/75/31/97/911753197.db2.gz PSTBFVUHNXGBJF-QWHCGFSZSA-N 1 2 275.356 0.796 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001323232918 912205141 /nfs/dbraw/zinc/20/51/41/912205141.db2.gz SNFLPHYIFDAWJK-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001323232918 912205161 /nfs/dbraw/zinc/20/51/61/912205161.db2.gz SNFLPHYIFDAWJK-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001328288409 915081871 /nfs/dbraw/zinc/08/18/71/915081871.db2.gz HCZUCHOUGCHHSI-ZDUSSCGKSA-N 1 2 283.335 0.592 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001399619271 915270838 /nfs/dbraw/zinc/27/08/38/915270838.db2.gz XYTKRRYFVWBNDY-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001399619271 915270826 /nfs/dbraw/zinc/27/08/26/915270826.db2.gz XYTKRRYFVWBNDY-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H](C)CNC(=O)C#CC(C)C ZINC001329431128 915908253 /nfs/dbraw/zinc/90/82/53/915908253.db2.gz JAJDQJWEYGZIGY-ZDUSSCGKSA-N 1 2 291.399 0.894 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H](C)CNC(=O)C#CC(C)C ZINC001329431128 915908271 /nfs/dbraw/zinc/90/82/71/915908271.db2.gz JAJDQJWEYGZIGY-ZDUSSCGKSA-N 1 2 291.399 0.894 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C(C)(F)F)C1 ZINC001329954949 916311257 /nfs/dbraw/zinc/31/12/57/916311257.db2.gz ZIGPHAAVSIRTRK-SECBINFHSA-N 1 2 289.326 0.380 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)OCC)C1 ZINC001329968927 916323335 /nfs/dbraw/zinc/32/33/35/916323335.db2.gz KVTSMSFNMJYPOR-NEPJUHHUSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CCCCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001329986493 916337921 /nfs/dbraw/zinc/33/79/21/916337921.db2.gz YFFMRCSBXHQBRX-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401743110 916547159 /nfs/dbraw/zinc/54/71/59/916547159.db2.gz ZJBVKOSAYGRHAC-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401743110 916547163 /nfs/dbraw/zinc/54/71/63/916547163.db2.gz ZJBVKOSAYGRHAC-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C#CCC1(O)CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001331306583 917254809 /nfs/dbraw/zinc/25/48/09/917254809.db2.gz WGUZVLCVDAZFLL-UHFFFAOYSA-N 1 2 290.367 0.522 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@@H]1CCCOC1 ZINC001331426372 917325960 /nfs/dbraw/zinc/32/59/60/917325960.db2.gz MXVZUUPLOHRMPX-FRRDWIJNSA-N 1 2 298.383 0.754 20 30 CCEDLO COc1cc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)on1 ZINC001403297153 917637711 /nfs/dbraw/zinc/63/77/11/917637711.db2.gz MLHXAHMAGBNSLU-VHSXEESVSA-N 1 2 292.339 0.779 20 30 CCEDLO C=CCNC(=O)Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001332344451 918070242 /nfs/dbraw/zinc/07/02/42/918070242.db2.gz PMEQYWHSDZAZRY-RKDXNWHRSA-N 1 2 273.296 0.909 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001332469557 918181718 /nfs/dbraw/zinc/18/17/18/918181718.db2.gz LJEHLEWFLTUDKQ-GHMZBOCLSA-N 1 2 272.312 0.607 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001332469557 918181729 /nfs/dbraw/zinc/18/17/29/918181729.db2.gz LJEHLEWFLTUDKQ-GHMZBOCLSA-N 1 2 272.312 0.607 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001332764309 918423872 /nfs/dbraw/zinc/42/38/72/918423872.db2.gz PUFVVAJFVOPVAG-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001332764309 918423880 /nfs/dbraw/zinc/42/38/80/918423880.db2.gz PUFVVAJFVOPVAG-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)nn1 ZINC001404984557 918547261 /nfs/dbraw/zinc/54/72/61/918547261.db2.gz BFZWUQKPOUSUDF-MNOVXSKESA-N 1 2 289.339 0.335 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)nn1 ZINC001404984557 918547277 /nfs/dbraw/zinc/54/72/77/918547277.db2.gz BFZWUQKPOUSUDF-MNOVXSKESA-N 1 2 289.339 0.335 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C=CCC1 ZINC001333670153 919085337 /nfs/dbraw/zinc/08/53/37/919085337.db2.gz MTOLWXOBYGQSDD-MNOVXSKESA-N 1 2 252.314 0.515 20 30 CCEDLO N#Cc1cc(C(=O)NCC2([NH2+]Cc3ccon3)CC2)c[nH]1 ZINC001406905145 919531637 /nfs/dbraw/zinc/53/16/37/919531637.db2.gz DRJJGBUMKMMGPL-UHFFFAOYSA-N 1 2 285.307 0.927 20 30 CCEDLO CC[N@@H+](CC#CCOC)CCNC(=O)C(F)C(F)(F)F ZINC001492957689 919573840 /nfs/dbraw/zinc/57/38/40/919573840.db2.gz ZCKPEQWYXFCTAK-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@H+](CC#CCOC)CCNC(=O)C(F)C(F)(F)F ZINC001492957689 919573851 /nfs/dbraw/zinc/57/38/51/919573851.db2.gz ZCKPEQWYXFCTAK-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001492957689 919573857 /nfs/dbraw/zinc/57/38/57/919573857.db2.gz ZCKPEQWYXFCTAK-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@H+](CC#CCOC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001492957689 919573868 /nfs/dbraw/zinc/57/38/68/919573868.db2.gz ZCKPEQWYXFCTAK-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cnon1 ZINC001419712689 923022164 /nfs/dbraw/zinc/02/21/64/923022164.db2.gz MUCKSICWTNZRMS-MRVPVSSYSA-N 1 2 274.284 0.177 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(CC(=O)OC)CC1)C(=O)OCC ZINC001343721697 923445004 /nfs/dbraw/zinc/44/50/04/923445004.db2.gz AMJGAEFIHQTQAT-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO C=CC[C@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OCC ZINC001343721697 923445014 /nfs/dbraw/zinc/44/50/14/923445014.db2.gz AMJGAEFIHQTQAT-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001343731596 923447659 /nfs/dbraw/zinc/44/76/59/923447659.db2.gz IWIAHNDBJSQZLL-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001343731596 923447665 /nfs/dbraw/zinc/44/76/65/923447665.db2.gz IWIAHNDBJSQZLL-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1O ZINC001420300234 923517147 /nfs/dbraw/zinc/51/71/47/923517147.db2.gz SFRMGDHWAIFIDM-UHFFFAOYSA-N 1 2 273.292 0.077 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CCOC)CC1 ZINC001345662614 923944737 /nfs/dbraw/zinc/94/47/37/923944737.db2.gz HMBJTTLYFZWZJM-UHFFFAOYSA-N 1 2 299.325 0.617 20 30 CCEDLO C#CCN(CC)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001345765524 923972119 /nfs/dbraw/zinc/97/21/19/923972119.db2.gz WZSSANGHCCTDBG-UHFFFAOYSA-N 1 2 291.399 0.980 20 30 CCEDLO C=CCCC(=O)NCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001351311519 925401577 /nfs/dbraw/zinc/40/15/77/925401577.db2.gz JMFTYWVQRYWHHA-UHFFFAOYSA-N 1 2 278.356 0.883 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CF)C1 ZINC001353109509 925731864 /nfs/dbraw/zinc/73/18/64/925731864.db2.gz LVJGZELVPHZSFR-ZJUUUORDSA-N 1 2 258.293 0.251 20 30 CCEDLO C[C@@H](Nc1nnccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC001354103020 926016625 /nfs/dbraw/zinc/01/66/25/926016625.db2.gz WNIGOMJDKWSDBU-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H](CCNC(=O)C#CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001355145845 926218532 /nfs/dbraw/zinc/21/85/32/926218532.db2.gz FYPDHOXIWJOIHD-LLVKDONJSA-N 1 2 288.351 0.377 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001355325967 926240333 /nfs/dbraw/zinc/24/03/33/926240333.db2.gz OPEPGKIJBSZNTB-SNVBAGLBSA-N 1 2 258.329 0.597 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001356271092 926363113 /nfs/dbraw/zinc/36/31/13/926363113.db2.gz VEKPIHWACWIRKA-DOMZBBRYSA-N 1 2 291.399 0.669 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001356271092 926363120 /nfs/dbraw/zinc/36/31/20/926363120.db2.gz VEKPIHWACWIRKA-DOMZBBRYSA-N 1 2 291.399 0.669 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001421817386 926926192 /nfs/dbraw/zinc/92/61/92/926926192.db2.gz FTUASYNVAJSZKB-GHMZBOCLSA-N 1 2 277.328 0.700 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001421817386 926926203 /nfs/dbraw/zinc/92/62/03/926926203.db2.gz FTUASYNVAJSZKB-GHMZBOCLSA-N 1 2 277.328 0.700 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422479565 927306243 /nfs/dbraw/zinc/30/62/43/927306243.db2.gz JRWLKTZMBYBMBN-VHSXEESVSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422479565 927306254 /nfs/dbraw/zinc/30/62/54/927306254.db2.gz JRWLKTZMBYBMBN-VHSXEESVSA-N 1 2 273.764 0.454 20 30 CCEDLO CC(C)c1[nH]cc(CNS(=O)(=O)N(C)CCC#N)[nH+]1 ZINC001424733481 928268347 /nfs/dbraw/zinc/26/83/47/928268347.db2.gz DGAWQCOAOHNOIM-UHFFFAOYSA-N 1 2 285.373 0.713 20 30 CCEDLO CC(C)c1[nH]c(CNS(=O)(=O)N(C)CCC#N)c[nH+]1 ZINC001424733481 928268359 /nfs/dbraw/zinc/26/83/59/928268359.db2.gz DGAWQCOAOHNOIM-UHFFFAOYSA-N 1 2 285.373 0.713 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001362721403 928409689 /nfs/dbraw/zinc/40/96/89/928409689.db2.gz VZQPCOAERPZCIJ-NSHDSACASA-N 1 2 274.280 0.657 20 30 CCEDLO C[C@H](O)[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252915 929029633 /nfs/dbraw/zinc/02/96/33/929029633.db2.gz KONVLDFPAYODTA-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252915 929029643 /nfs/dbraw/zinc/02/96/43/929029643.db2.gz KONVLDFPAYODTA-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO CN(C)[C@@H](C(=O)Nc1n[nH]cc1C#N)c1c[nH+]cn1C ZINC001363433850 929223512 /nfs/dbraw/zinc/22/35/12/929223512.db2.gz HATZKMOFIZRUOB-SNVBAGLBSA-N 1 2 273.300 0.256 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001429992442 929547643 /nfs/dbraw/zinc/54/76/43/929547643.db2.gz JFMMXTMNVXHJQA-CMPLNLGQSA-N 1 2 289.339 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001372019242 929705098 /nfs/dbraw/zinc/70/50/98/929705098.db2.gz GQPHGEIGSLPZDI-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001372019242 929705103 /nfs/dbraw/zinc/70/51/03/929705103.db2.gz GQPHGEIGSLPZDI-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO Cc1cnc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)cn1 ZINC001373502652 930222990 /nfs/dbraw/zinc/22/29/90/930222990.db2.gz JVAGNMVYJYAYCV-SNVBAGLBSA-N 1 2 273.340 0.493 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374749639 930645759 /nfs/dbraw/zinc/64/57/59/930645759.db2.gz IREIYVAOAXRCMR-VIFPVBQESA-N 1 2 289.339 0.174 20 30 CCEDLO CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001375119260 930799458 /nfs/dbraw/zinc/79/94/58/930799458.db2.gz FBBZLGKSRHODFH-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@@H](C)C#N ZINC001375119260 930799464 /nfs/dbraw/zinc/79/94/64/930799464.db2.gz FBBZLGKSRHODFH-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccns1 ZINC001449329129 931127440 /nfs/dbraw/zinc/12/74/40/931127440.db2.gz RXYRIIAZLXGBNW-NSHDSACASA-N 1 2 296.396 0.867 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccns1 ZINC001449329129 931127442 /nfs/dbraw/zinc/12/74/42/931127442.db2.gz RXYRIIAZLXGBNW-NSHDSACASA-N 1 2 296.396 0.867 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599566904 361746602 /nfs/dbraw/zinc/74/66/02/361746602.db2.gz JRIPLALNLHALRB-AAEUAGOBSA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000599566904 361746609 /nfs/dbraw/zinc/74/66/09/361746609.db2.gz JRIPLALNLHALRB-AAEUAGOBSA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599566906 361746682 /nfs/dbraw/zinc/74/66/82/361746682.db2.gz JRIPLALNLHALRB-WCQYABFASA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000599566906 361746688 /nfs/dbraw/zinc/74/66/88/361746688.db2.gz JRIPLALNLHALRB-WCQYABFASA-N 1 2 265.313 0.694 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666082 361779535 /nfs/dbraw/zinc/77/95/35/361779535.db2.gz XEAGMNKJNIDIMB-CYBMUJFWSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666082 361779538 /nfs/dbraw/zinc/77/95/38/361779538.db2.gz XEAGMNKJNIDIMB-CYBMUJFWSA-N 1 2 289.335 0.513 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599665139 361779726 /nfs/dbraw/zinc/77/97/26/361779726.db2.gz QQGQHXJQOHWZEY-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599665139 361779732 /nfs/dbraw/zinc/77/97/32/361779732.db2.gz QQGQHXJQOHWZEY-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599693378 361789666 /nfs/dbraw/zinc/78/96/66/361789666.db2.gz OUTBJBLTLWMDLA-SMDDNHRTSA-N 1 2 299.371 0.124 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599693378 361789668 /nfs/dbraw/zinc/78/96/68/361789668.db2.gz OUTBJBLTLWMDLA-SMDDNHRTSA-N 1 2 299.371 0.124 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)o1)[C@H](C)C(N)=O ZINC000093137984 349527386 /nfs/dbraw/zinc/52/73/86/349527386.db2.gz OUNQDOUUELJUJR-SECBINFHSA-N 1 2 251.286 0.473 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)C(N)=O ZINC000093137984 349527390 /nfs/dbraw/zinc/52/73/90/349527390.db2.gz OUNQDOUUELJUJR-SECBINFHSA-N 1 2 251.286 0.473 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)NCCn1cnc(C#N)n1 ZINC000492839794 529553899 /nfs/dbraw/zinc/55/38/99/529553899.db2.gz NNOLQAKQJXPGEF-ONEGZZNKSA-N 1 2 285.311 0.196 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000110657021 349761328 /nfs/dbraw/zinc/76/13/28/349761328.db2.gz SLPNSWKMFQKSBN-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000110657021 349761331 /nfs/dbraw/zinc/76/13/31/349761331.db2.gz SLPNSWKMFQKSBN-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000601280154 362201361 /nfs/dbraw/zinc/20/13/61/362201361.db2.gz CZMOXJFSEHDQQY-UHFFFAOYSA-N 1 2 297.355 0.942 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734332 365746170 /nfs/dbraw/zinc/74/61/70/365746170.db2.gz AYVDNDCNKXMUIE-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734332 365746177 /nfs/dbraw/zinc/74/61/77/365746177.db2.gz AYVDNDCNKXMUIE-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000156172447 290701595 /nfs/dbraw/zinc/70/15/95/290701595.db2.gz AWPSZNCMCCPFJB-UHFFFAOYSA-N 1 2 294.311 0.872 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)nc1)[C@@H](C)[NH+]1CCOCC1 ZINC000115371624 349853484 /nfs/dbraw/zinc/85/34/84/349853484.db2.gz UFAFEIITZUCNPA-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115378945 349854177 /nfs/dbraw/zinc/85/41/77/349854177.db2.gz CAKDFFKXVMQCID-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(C#N)cc1F ZINC000413184871 529942340 /nfs/dbraw/zinc/94/23/40/529942340.db2.gz YWYKKMFJEBTOFA-GFCCVEGCSA-N 1 2 294.330 0.222 20 30 CCEDLO C=CCN(CCC#N)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601419661 362265121 /nfs/dbraw/zinc/26/51/21/362265121.db2.gz MIDHQPSLGLFWRD-LBPRGKRZSA-N 1 2 287.385 0.048 20 30 CCEDLO C=CCN(CCC#N)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601419661 362265124 /nfs/dbraw/zinc/26/51/24/362265124.db2.gz MIDHQPSLGLFWRD-LBPRGKRZSA-N 1 2 287.385 0.048 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000601789002 362394240 /nfs/dbraw/zinc/39/42/40/362394240.db2.gz ZQXNJZVHVSTKDE-NSHDSACASA-N 1 2 265.313 0.587 20 30 CCEDLO N#Cc1cccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000601943483 362432293 /nfs/dbraw/zinc/43/22/93/362432293.db2.gz FGDFLBMQBZEODC-GFCCVEGCSA-N 1 2 254.293 0.866 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602107549 362492593 /nfs/dbraw/zinc/49/25/93/362492593.db2.gz GUFUCYKAOSZBIK-LBPRGKRZSA-N 1 2 298.302 0.942 20 30 CCEDLO Cc1cn2ccc(C(=O)N3CCN(CC#N)CC3)cc2[nH+]1 ZINC000602101683 362488469 /nfs/dbraw/zinc/48/84/69/362488469.db2.gz AZALLOXXNWTADV-UHFFFAOYSA-N 1 2 283.335 0.924 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000361484736 232139082 /nfs/dbraw/zinc/13/90/82/232139082.db2.gz MDBMAGHCRHCABP-UHFFFAOYSA-N 1 2 283.291 0.328 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602482014 362638883 /nfs/dbraw/zinc/63/88/83/362638883.db2.gz DZVWBTQXBCOYRU-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602482014 362638886 /nfs/dbraw/zinc/63/88/86/362638886.db2.gz DZVWBTQXBCOYRU-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO Cc1ccc(NCC2([NH+]3CCOCC3)CC2)nc1C#N ZINC000573782631 334965376 /nfs/dbraw/zinc/96/53/76/334965376.db2.gz FPKMNFSHTAWQRG-UHFFFAOYSA-N 1 2 272.352 0.960 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000602850537 362838118 /nfs/dbraw/zinc/83/81/18/362838118.db2.gz XAEGVOPHEYYLEE-YNEHKIRRSA-N 1 2 294.399 0.688 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000602850537 362838121 /nfs/dbraw/zinc/83/81/21/362838121.db2.gz XAEGVOPHEYYLEE-YNEHKIRRSA-N 1 2 294.399 0.688 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602861994 362846962 /nfs/dbraw/zinc/84/69/62/362846962.db2.gz KEMHROSBNWCUNJ-JQWIXIFHSA-N 1 2 266.345 0.005 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O ZINC000343717130 137151893 /nfs/dbraw/zinc/15/18/93/137151893.db2.gz RHEIWTICJFZBIB-JQWIXIFHSA-N 1 2 295.364 0.040 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O ZINC000343717130 137151894 /nfs/dbraw/zinc/15/18/94/137151894.db2.gz RHEIWTICJFZBIB-JQWIXIFHSA-N 1 2 295.364 0.040 20 30 CCEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)C1 ZINC000019846915 348071554 /nfs/dbraw/zinc/07/15/54/348071554.db2.gz DPRNKURSOAZTDH-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)C1 ZINC000019846915 348071556 /nfs/dbraw/zinc/07/15/56/348071556.db2.gz DPRNKURSOAZTDH-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720894 137209594 /nfs/dbraw/zinc/20/95/94/137209594.db2.gz HJDZNIZEUCMIKA-NXEZZACHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720894 137209595 /nfs/dbraw/zinc/20/95/95/137209595.db2.gz HJDZNIZEUCMIKA-NXEZZACHSA-N 1 2 283.353 0.864 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444561 348112501 /nfs/dbraw/zinc/11/25/01/348112501.db2.gz ZRGKQDYGKPQWCR-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000035107143 348156375 /nfs/dbraw/zinc/15/63/75/348156375.db2.gz IOVOGNMFYMJEKA-UHFFFAOYSA-N 1 2 289.335 0.074 20 30 CCEDLO N#CCCOCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602868025 362851159 /nfs/dbraw/zinc/85/11/59/362851159.db2.gz GZYFKTFZWIAZPV-UHFFFAOYSA-N 1 2 277.315 0.162 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc2c(c1)OCO2 ZINC000602869826 362852449 /nfs/dbraw/zinc/85/24/49/362852449.db2.gz PJGBQUULMNNPHX-JTQLQIEISA-N 1 2 275.308 0.923 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2)CC1 ZINC000037822812 348211438 /nfs/dbraw/zinc/21/14/38/348211438.db2.gz UFZXVFGIIJOTSC-UHFFFAOYSA-N 1 2 257.337 0.876 20 30 CCEDLO N#CC1(C(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000041953878 348262360 /nfs/dbraw/zinc/26/23/60/348262360.db2.gz WLDHZEBDGMGLJJ-UHFFFAOYSA-N 1 2 251.330 0.519 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000042246269 348271527 /nfs/dbraw/zinc/27/15/27/348271527.db2.gz CWANALHMEGGDQQ-ZDUSSCGKSA-N 1 2 279.384 0.740 20 30 CCEDLO N#CCC1(C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)CC1 ZINC000602907939 362880796 /nfs/dbraw/zinc/88/07/96/362880796.db2.gz NVIBVXFHZBJIPJ-LBPRGKRZSA-N 1 2 261.329 0.673 20 30 CCEDLO N#CCC1(C[N@H+]2CCO[C@H](Cn3ccnn3)C2)CC1 ZINC000602907939 362880799 /nfs/dbraw/zinc/88/07/99/362880799.db2.gz NVIBVXFHZBJIPJ-LBPRGKRZSA-N 1 2 261.329 0.673 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)C(C)C ZINC000602982883 362921630 /nfs/dbraw/zinc/92/16/30/362921630.db2.gz ZLKTVZXPQHOKRZ-OBJOEFQTSA-N 1 2 295.383 0.924 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C(C)C ZINC000602982883 362921634 /nfs/dbraw/zinc/92/16/34/362921634.db2.gz ZLKTVZXPQHOKRZ-OBJOEFQTSA-N 1 2 295.383 0.924 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973754 362916913 /nfs/dbraw/zinc/91/69/13/362916913.db2.gz FCRCSRXHTJIZAC-GHMZBOCLSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973754 362916915 /nfs/dbraw/zinc/91/69/15/362916915.db2.gz FCRCSRXHTJIZAC-GHMZBOCLSA-N 1 2 264.329 0.622 20 30 CCEDLO Cn1c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc(=O)n(C)c1=O ZINC000602976437 362918685 /nfs/dbraw/zinc/91/86/85/362918685.db2.gz POZIXJUEJMIQQB-JQWIXIFHSA-N 1 2 276.340 0.208 20 30 CCEDLO Cn1c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc(=O)n(C)c1=O ZINC000602976437 362918688 /nfs/dbraw/zinc/91/86/88/362918688.db2.gz POZIXJUEJMIQQB-JQWIXIFHSA-N 1 2 276.340 0.208 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000053434667 348529830 /nfs/dbraw/zinc/52/98/30/348529830.db2.gz JCFOEGPRTCXZJG-UHFFFAOYSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000053641393 348532745 /nfs/dbraw/zinc/53/27/45/348532745.db2.gz NEYWOTHXNPPWBY-UHFFFAOYSA-N 1 2 264.329 0.860 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000058563165 348629043 /nfs/dbraw/zinc/62/90/43/348629043.db2.gz DYWIESGIFDSEGZ-UHFFFAOYSA-N 1 2 285.351 0.308 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000066497689 348745578 /nfs/dbraw/zinc/74/55/78/348745578.db2.gz BFANNNOMNBIOQM-LLVKDONJSA-N 1 2 266.345 0.007 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000066497689 348745583 /nfs/dbraw/zinc/74/55/83/348745583.db2.gz BFANNNOMNBIOQM-LLVKDONJSA-N 1 2 266.345 0.007 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000066563167 348748223 /nfs/dbraw/zinc/74/82/23/348748223.db2.gz DBPMJCGATQPANH-LBPRGKRZSA-N 1 2 265.357 0.527 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000066563167 348748226 /nfs/dbraw/zinc/74/82/26/348748226.db2.gz DBPMJCGATQPANH-LBPRGKRZSA-N 1 2 265.357 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893461 348758860 /nfs/dbraw/zinc/75/88/60/348758860.db2.gz ZTWSDKLFTFCYLM-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893461 348758862 /nfs/dbraw/zinc/75/88/62/348758862.db2.gz ZTWSDKLFTFCYLM-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#N)CC1 ZINC000071309061 348908208 /nfs/dbraw/zinc/90/82/08/348908208.db2.gz IFTSDNDGKKQRJO-LBPRGKRZSA-N 1 2 264.373 0.575 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072689154 348928884 /nfs/dbraw/zinc/92/88/84/348928884.db2.gz FPBKOUQGTSBSPX-GFCCVEGCSA-N 1 2 297.315 0.014 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072689154 348928889 /nfs/dbraw/zinc/92/88/89/348928889.db2.gz FPBKOUQGTSBSPX-GFCCVEGCSA-N 1 2 297.315 0.014 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000074316535 348984984 /nfs/dbraw/zinc/98/49/84/348984984.db2.gz XTTHRWHETCHERG-CYBMUJFWSA-N 1 2 279.365 0.811 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000074316535 348984986 /nfs/dbraw/zinc/98/49/86/348984986.db2.gz XTTHRWHETCHERG-CYBMUJFWSA-N 1 2 279.365 0.811 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201385 349170819 /nfs/dbraw/zinc/17/08/19/349170819.db2.gz BMDRSNOAPOKAHV-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079312133 349174008 /nfs/dbraw/zinc/17/40/08/349174008.db2.gz GTEXBVWWVAHHIQ-NEPJUHHUSA-N 1 2 268.361 0.508 20 30 CCEDLO C#CC[N@@H+](CCOCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000088506921 349368788 /nfs/dbraw/zinc/36/87/88/349368788.db2.gz QAVHHINKNXGPFV-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C#CC[N@H+](CCOCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000088506921 349368790 /nfs/dbraw/zinc/36/87/90/349368790.db2.gz QAVHHINKNXGPFV-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000120745931 350003049 /nfs/dbraw/zinc/00/30/49/350003049.db2.gz SFJZGUBYKFMRTN-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000120745931 350003054 /nfs/dbraw/zinc/00/30/54/350003054.db2.gz SFJZGUBYKFMRTN-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000123464872 350075459 /nfs/dbraw/zinc/07/54/59/350075459.db2.gz HYIFYGSWEIBKGF-UHFFFAOYSA-N 1 2 283.353 0.665 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000121436124 350038827 /nfs/dbraw/zinc/03/88/27/350038827.db2.gz VORVSWAELWSHEG-UHFFFAOYSA-N 1 2 265.313 0.736 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000121436124 350038828 /nfs/dbraw/zinc/03/88/28/350038828.db2.gz VORVSWAELWSHEG-UHFFFAOYSA-N 1 2 265.313 0.736 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000090698794 180027000 /nfs/dbraw/zinc/02/70/00/180027000.db2.gz OIMACBFORUEOTF-AWEZNQCLSA-N 1 2 270.336 0.288 20 30 CCEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000125556955 350124134 /nfs/dbraw/zinc/12/41/34/350124134.db2.gz YCHKXZVWJOVABW-UHFFFAOYSA-N 1 2 286.335 0.579 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000104691116 186015924 /nfs/dbraw/zinc/01/59/24/186015924.db2.gz DHTVEINFEPEBNP-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000104691116 186015927 /nfs/dbraw/zinc/01/59/27/186015927.db2.gz DHTVEINFEPEBNP-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c(F)c1 ZINC000091752996 180246286 /nfs/dbraw/zinc/24/62/86/180246286.db2.gz JYIKMWQTMILRAP-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c(F)c1 ZINC000091752996 180246290 /nfs/dbraw/zinc/24/62/90/180246290.db2.gz JYIKMWQTMILRAP-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1C#N ZINC000168015169 350818405 /nfs/dbraw/zinc/81/84/05/350818405.db2.gz AYKGZCIDOJHRHV-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1C#N ZINC000168015169 350818406 /nfs/dbraw/zinc/81/84/06/350818406.db2.gz AYKGZCIDOJHRHV-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000170911191 350872946 /nfs/dbraw/zinc/87/29/46/350872946.db2.gz OPZSIRHHJBQLDG-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000170911191 350872947 /nfs/dbraw/zinc/87/29/47/350872947.db2.gz OPZSIRHHJBQLDG-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)C(=O)OC)nn1 ZINC000603194602 362993533 /nfs/dbraw/zinc/99/35/33/362993533.db2.gz UFANYPABCFVBGX-NSHDSACASA-N 1 2 250.302 0.515 20 30 CCEDLO N#Cc1cccnc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000531379969 358460183 /nfs/dbraw/zinc/46/01/83/358460183.db2.gz OEPZSTGZTWIDPT-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603237423 363017224 /nfs/dbraw/zinc/01/72/24/363017224.db2.gz SEOIKRXIVSSUGC-LLVKDONJSA-N 1 2 282.369 0.727 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000182436695 351362828 /nfs/dbraw/zinc/36/28/28/351362828.db2.gz OFNWZTRRMSNPKN-ZDUSSCGKSA-N 1 2 259.309 0.505 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000182436695 351362832 /nfs/dbraw/zinc/36/28/32/351362832.db2.gz OFNWZTRRMSNPKN-ZDUSSCGKSA-N 1 2 259.309 0.505 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1OCCO1 ZINC000182453891 351363852 /nfs/dbraw/zinc/36/38/52/351363852.db2.gz MLCYFPMZMSCPKR-LLVKDONJSA-N 1 2 289.339 0.232 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1OCCO1 ZINC000182453891 351363854 /nfs/dbraw/zinc/36/38/54/351363854.db2.gz MLCYFPMZMSCPKR-LLVKDONJSA-N 1 2 289.339 0.232 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100946 351432665 /nfs/dbraw/zinc/43/26/65/351432665.db2.gz HHWGUZSBJVUNBM-YUNKPMOVSA-N 1 2 298.412 0.341 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100946 351432669 /nfs/dbraw/zinc/43/26/69/351432669.db2.gz HHWGUZSBJVUNBM-YUNKPMOVSA-N 1 2 298.412 0.341 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271433095 191135539 /nfs/dbraw/zinc/13/55/39/191135539.db2.gz AKBNFRSTFBKPSG-ZDUSSCGKSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271433095 191135542 /nfs/dbraw/zinc/13/55/42/191135542.db2.gz AKBNFRSTFBKPSG-ZDUSSCGKSA-N 1 2 291.376 0.840 20 30 CCEDLO Cn1cc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1C#N ZINC000195019227 351893587 /nfs/dbraw/zinc/89/35/87/351893587.db2.gz VPIJNTREGZRUAW-AWEZNQCLSA-N 1 2 261.325 0.888 20 30 CCEDLO Cn1cc(C[N@H+]2CCOC[C@@]23CCOC3)cc1C#N ZINC000195019227 351893589 /nfs/dbraw/zinc/89/35/89/351893589.db2.gz VPIJNTREGZRUAW-AWEZNQCLSA-N 1 2 261.325 0.888 20 30 CCEDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1OC ZINC000234798543 352171412 /nfs/dbraw/zinc/17/14/12/352171412.db2.gz SSGWNSLEGLCCTR-ZIAGYGMSSA-N 1 2 289.335 0.842 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000274456967 353131454 /nfs/dbraw/zinc/13/14/54/353131454.db2.gz ZQMRHLDLRFIYGH-GFCCVEGCSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000274456967 353131455 /nfs/dbraw/zinc/13/14/55/353131455.db2.gz ZQMRHLDLRFIYGH-GFCCVEGCSA-N 1 2 267.373 0.527 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155087236 188181553 /nfs/dbraw/zinc/18/15/53/188181553.db2.gz KNDXKXHYJUNEKV-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155087236 188181554 /nfs/dbraw/zinc/18/15/54/188181554.db2.gz KNDXKXHYJUNEKV-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO CC[N@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290265855 353717719 /nfs/dbraw/zinc/71/77/19/353717719.db2.gz LAZIVEAQMAFLPX-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO CC[N@@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290265855 353717722 /nfs/dbraw/zinc/71/77/22/353717722.db2.gz LAZIVEAQMAFLPX-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CNC(C)=O)CC1 ZINC000305961666 354169583 /nfs/dbraw/zinc/16/95/83/354169583.db2.gz FMMDYONIZYDIHP-GFCCVEGCSA-N 1 2 254.330 0.562 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312326752 354207422 /nfs/dbraw/zinc/20/74/22/354207422.db2.gz SUMLRSQEYDIUBN-CQSZACIVSA-N 1 2 277.299 0.510 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312326752 354207425 /nfs/dbraw/zinc/20/74/25/354207425.db2.gz SUMLRSQEYDIUBN-CQSZACIVSA-N 1 2 277.299 0.510 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329762909 354259687 /nfs/dbraw/zinc/25/96/87/354259687.db2.gz TVNFDNUJLGXGMX-LOWVWBTDSA-N 1 2 271.361 0.388 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329762909 354259691 /nfs/dbraw/zinc/25/96/91/354259691.db2.gz TVNFDNUJLGXGMX-LOWVWBTDSA-N 1 2 271.361 0.388 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330556196 354410438 /nfs/dbraw/zinc/41/04/38/354410438.db2.gz ZJKYDEUNBVTVOR-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330556196 354410439 /nfs/dbraw/zinc/41/04/39/354410439.db2.gz ZJKYDEUNBVTVOR-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000557419020 291031947 /nfs/dbraw/zinc/03/19/47/291031947.db2.gz XBPXXAIAZMVZMG-ZDUSSCGKSA-N 1 2 297.318 0.830 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1F ZINC000331177612 354479454 /nfs/dbraw/zinc/47/94/54/354479454.db2.gz QEIJJWKTHZWPDQ-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1F ZINC000331177612 354479455 /nfs/dbraw/zinc/47/94/55/354479455.db2.gz QEIJJWKTHZWPDQ-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCC)C1=O ZINC000337202433 355283766 /nfs/dbraw/zinc/28/37/66/355283766.db2.gz FBJJZEJDBXSVCU-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCC)C1=O ZINC000337202433 355283768 /nfs/dbraw/zinc/28/37/68/355283768.db2.gz FBJJZEJDBXSVCU-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000337213721 355285192 /nfs/dbraw/zinc/28/51/92/355285192.db2.gz WORWUWHYRDMIQO-OCCSQVGLSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000337213721 355285194 /nfs/dbraw/zinc/28/51/94/355285194.db2.gz WORWUWHYRDMIQO-OCCSQVGLSA-N 1 2 266.341 0.265 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cn1cc[nH+]c1 ZINC000342749399 355736604 /nfs/dbraw/zinc/73/66/04/355736604.db2.gz LRLVTSGYNOWUSU-GHMZBOCLSA-N 1 2 287.327 0.360 20 30 CCEDLO N#CCCCCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000343549056 355774195 /nfs/dbraw/zinc/77/41/95/355774195.db2.gz RDJBXDKATUQCBY-UHFFFAOYSA-N 1 2 298.387 0.016 20 30 CCEDLO C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)n1cnc(C#N)n1 ZINC000619592412 366290736 /nfs/dbraw/zinc/29/07/36/366290736.db2.gz VXAUSRVLYGRGQU-VIFPVBQESA-N 1 2 281.279 0.997 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC)C2CCOCC2)C1=O ZINC000619620609 366302658 /nfs/dbraw/zinc/30/26/58/366302658.db2.gz ZZEJZDOEDULJPV-CYBMUJFWSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC)C2CCOCC2)C1=O ZINC000619620609 366302660 /nfs/dbraw/zinc/30/26/60/366302660.db2.gz ZZEJZDOEDULJPV-CYBMUJFWSA-N 1 2 296.367 0.427 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC000609449268 363496833 /nfs/dbraw/zinc/49/68/33/363496833.db2.gz RSPRDRKLLOTXDY-LBPRGKRZSA-N 1 2 288.355 0.017 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000609705089 363514493 /nfs/dbraw/zinc/51/44/93/363514493.db2.gz PGCKUHPEBHBFHS-STQMWFEESA-N 1 2 264.373 0.383 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000619717063 366333997 /nfs/dbraw/zinc/33/39/97/366333997.db2.gz PQCBCNLKDHSLDV-RYUDHWBXSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000619717063 366334006 /nfs/dbraw/zinc/33/40/06/366334006.db2.gz PQCBCNLKDHSLDV-RYUDHWBXSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)OC ZINC000619722060 366342993 /nfs/dbraw/zinc/34/29/93/366342993.db2.gz WUPKGNQPAGLKBZ-MJBXVCDLSA-N 1 2 282.384 0.947 20 30 CCEDLO CCN1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000619856067 366362940 /nfs/dbraw/zinc/36/29/40/366362940.db2.gz KRXAALULQVGOLU-QWHCGFSZSA-N 1 2 286.335 0.295 20 30 CCEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)N2CCCC2)C(N)=O)cc1 ZINC000360060827 356941024 /nfs/dbraw/zinc/94/10/24/356941024.db2.gz PBYHEUJLQCEDIS-AWEZNQCLSA-N 1 2 286.335 0.297 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000360964203 357043380 /nfs/dbraw/zinc/04/33/80/357043380.db2.gz ODSZVRPFUQNCOY-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C)nc2)CC1 ZINC000360964203 357043384 /nfs/dbraw/zinc/04/33/84/357043384.db2.gz ODSZVRPFUQNCOY-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)CCCC#N)CCO1 ZINC000360453703 357015300 /nfs/dbraw/zinc/01/53/00/357015300.db2.gz FUEJWBHGQPDQAD-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)CCCC#N)CCO1 ZINC000360453703 357015302 /nfs/dbraw/zinc/01/53/02/357015302.db2.gz FUEJWBHGQPDQAD-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000401717522 357803746 /nfs/dbraw/zinc/80/37/46/357803746.db2.gz BUQJYEAAHWSJAT-UHFFFAOYSA-N 1 2 291.336 0.208 20 30 CCEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cccc(C#N)c1 ZINC000401762862 357806096 /nfs/dbraw/zinc/80/60/96/357806096.db2.gz WLCOWDGIWGUTQO-UHFFFAOYSA-N 1 2 290.348 0.813 20 30 CCEDLO COC(=O)Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000294556111 199083739 /nfs/dbraw/zinc/08/37/39/199083739.db2.gz LMRSTVCPPQZZAX-UHFFFAOYSA-N 1 2 299.334 0.955 20 30 CCEDLO COC(=O)Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000294556111 199083740 /nfs/dbraw/zinc/08/37/40/199083740.db2.gz LMRSTVCPPQZZAX-UHFFFAOYSA-N 1 2 299.334 0.955 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000450556609 358255744 /nfs/dbraw/zinc/25/57/44/358255744.db2.gz MPRFVNVEYTXTMX-NWDGAFQWSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000450556609 358255747 /nfs/dbraw/zinc/25/57/47/358255747.db2.gz MPRFVNVEYTXTMX-NWDGAFQWSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000450556617 358256405 /nfs/dbraw/zinc/25/64/05/358256405.db2.gz MPRFVNVEYTXTMX-VXGBXAGGSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000450556617 358256410 /nfs/dbraw/zinc/25/64/10/358256410.db2.gz MPRFVNVEYTXTMX-VXGBXAGGSA-N 1 2 261.387 0.823 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491812944 358297679 /nfs/dbraw/zinc/29/76/79/358297679.db2.gz JNWGNDTVQGIISS-LBPRGKRZSA-N 1 2 282.303 0.742 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494031251 358312601 /nfs/dbraw/zinc/31/26/01/358312601.db2.gz CKRXGCBPFRNUHL-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494031251 358312603 /nfs/dbraw/zinc/31/26/03/358312603.db2.gz CKRXGCBPFRNUHL-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000610729561 363604318 /nfs/dbraw/zinc/60/43/18/363604318.db2.gz MRTODHMDHVRGKY-LBPRGKRZSA-N 1 2 261.329 0.505 20 30 CCEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000610729561 363604321 /nfs/dbraw/zinc/60/43/21/363604321.db2.gz MRTODHMDHVRGKY-LBPRGKRZSA-N 1 2 261.329 0.505 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)C(N)=O ZINC000568527126 358683344 /nfs/dbraw/zinc/68/33/44/358683344.db2.gz LBJBKDXQXIVWPY-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)C(N)=O ZINC000568527126 358683346 /nfs/dbraw/zinc/68/33/46/358683346.db2.gz LBJBKDXQXIVWPY-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000572613523 358929638 /nfs/dbraw/zinc/92/96/38/358929638.db2.gz FJGMWONRXMUTEW-SECBINFHSA-N 1 2 279.262 0.358 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC000587062456 359299697 /nfs/dbraw/zinc/29/96/97/359299697.db2.gz VYMGTJAHKDKLKG-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992215 363644425 /nfs/dbraw/zinc/64/44/25/363644425.db2.gz LIOAOUSSUCCQNJ-GFCCVEGCSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992215 363644427 /nfs/dbraw/zinc/64/44/27/363644427.db2.gz LIOAOUSSUCCQNJ-GFCCVEGCSA-N 1 2 294.380 0.467 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000589344078 359379284 /nfs/dbraw/zinc/37/92/84/359379284.db2.gz UHPGOKBWMPWDGR-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000588843167 359340650 /nfs/dbraw/zinc/34/06/50/359340650.db2.gz NTNCIYPZTSADSC-NSHDSACASA-N 1 2 291.355 0.948 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000588843167 359340654 /nfs/dbraw/zinc/34/06/54/359340654.db2.gz NTNCIYPZTSADSC-NSHDSACASA-N 1 2 291.355 0.948 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000591850804 359665062 /nfs/dbraw/zinc/66/50/62/359665062.db2.gz INNLCLLLQGMRQJ-MNOVXSKESA-N 1 2 250.302 0.643 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000591850804 359665064 /nfs/dbraw/zinc/66/50/64/359665064.db2.gz INNLCLLLQGMRQJ-MNOVXSKESA-N 1 2 250.302 0.643 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000592151889 359770789 /nfs/dbraw/zinc/77/07/89/359770789.db2.gz RYYKSJBOAKUOJA-CYBMUJFWSA-N 1 2 251.330 0.253 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000592151889 359770790 /nfs/dbraw/zinc/77/07/90/359770790.db2.gz RYYKSJBOAKUOJA-CYBMUJFWSA-N 1 2 251.330 0.253 20 30 CCEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152132 359770036 /nfs/dbraw/zinc/77/00/36/359770036.db2.gz UKUXAILWQIETCO-GFCCVEGCSA-N 1 2 274.386 0.550 20 30 CCEDLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152132 359770046 /nfs/dbraw/zinc/77/00/46/359770046.db2.gz UKUXAILWQIETCO-GFCCVEGCSA-N 1 2 274.386 0.550 20 30 CCEDLO COCC[N@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171202 363670297 /nfs/dbraw/zinc/67/02/97/363670297.db2.gz JTYDQJZUSJNWOS-LBPRGKRZSA-N 1 2 274.386 0.673 20 30 CCEDLO COCC[N@@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171202 363670301 /nfs/dbraw/zinc/67/03/01/363670301.db2.gz JTYDQJZUSJNWOS-LBPRGKRZSA-N 1 2 274.386 0.673 20 30 CCEDLO CCCCOCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174335 363670924 /nfs/dbraw/zinc/67/09/24/363670924.db2.gz ZRWHOVDNRQERKE-UHFFFAOYSA-N 1 2 296.415 0.451 20 30 CCEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000593000270 360011662 /nfs/dbraw/zinc/01/16/62/360011662.db2.gz KKEDWOWHMRMDAA-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000593058275 360022101 /nfs/dbraw/zinc/02/21/01/360022101.db2.gz KTVGLPPXHXSALU-NWDGAFQWSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000593058275 360022106 /nfs/dbraw/zinc/02/21/06/360022106.db2.gz KTVGLPPXHXSALU-NWDGAFQWSA-N 1 2 283.372 0.888 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCCC#N ZINC000594316818 360273148 /nfs/dbraw/zinc/27/31/48/360273148.db2.gz UFBDXAIUIJJABD-CYBMUJFWSA-N 1 2 283.372 0.222 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000595301556 360488645 /nfs/dbraw/zinc/48/86/45/360488645.db2.gz LEFFWSQNGSVNQO-WDEREUQCSA-N 1 2 267.329 0.242 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000595301556 360488646 /nfs/dbraw/zinc/48/86/46/360488646.db2.gz LEFFWSQNGSVNQO-WDEREUQCSA-N 1 2 267.329 0.242 20 30 CCEDLO CN1CC(=O)N(CC[N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595425674 360528194 /nfs/dbraw/zinc/52/81/94/360528194.db2.gz KYEFNGRBSLXLIJ-ZDUSSCGKSA-N 1 2 264.329 0.506 20 30 CCEDLO CN1CC(=O)N(CC[N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595425674 360528199 /nfs/dbraw/zinc/52/81/99/360528199.db2.gz KYEFNGRBSLXLIJ-ZDUSSCGKSA-N 1 2 264.329 0.506 20 30 CCEDLO C[C@H](NS(=O)(=O)N(C)CCC#N)c1[nH+]ccn1C ZINC000595382875 360513654 /nfs/dbraw/zinc/51/36/54/360513654.db2.gz JZQIJZSHQZEMKG-VIFPVBQESA-N 1 2 271.346 0.161 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595487858 360548717 /nfs/dbraw/zinc/54/87/17/360548717.db2.gz CSNNMGKALMABKK-SECBINFHSA-N 1 2 265.317 0.124 20 30 CCEDLO C[C@@H]1C[NH+](CCN2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 ZINC000595558041 360579893 /nfs/dbraw/zinc/57/98/93/360579893.db2.gz NJBYTPVNYQZJFZ-MCIONIFRSA-N 1 2 267.373 0.446 20 30 CCEDLO CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1c[nH+]c[nH]1 ZINC000595596796 360592729 /nfs/dbraw/zinc/59/27/29/360592729.db2.gz NNXUFWQERRWMKD-CYBMUJFWSA-N 1 2 261.329 0.650 20 30 CCEDLO CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1c[nH]c[nH+]1 ZINC000595596796 360592732 /nfs/dbraw/zinc/59/27/32/360592732.db2.gz NNXUFWQERRWMKD-CYBMUJFWSA-N 1 2 261.329 0.650 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nccnc2C1 ZINC000595862532 360682126 /nfs/dbraw/zinc/68/21/26/360682126.db2.gz FIZWTXJICKFKDW-NSHDSACASA-N 1 2 273.340 0.595 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nccnc2C1 ZINC000595862532 360682135 /nfs/dbraw/zinc/68/21/35/360682135.db2.gz FIZWTXJICKFKDW-NSHDSACASA-N 1 2 273.340 0.595 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836900 360675092 /nfs/dbraw/zinc/67/50/92/360675092.db2.gz AVNWWMBHMFGIPG-ZFWWWQNUSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836900 360675096 /nfs/dbraw/zinc/67/50/96/360675096.db2.gz AVNWWMBHMFGIPG-ZFWWWQNUSA-N 1 2 292.383 0.349 20 30 CCEDLO Cn1ncc(C#N)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596167033 360819000 /nfs/dbraw/zinc/81/90/00/360819000.db2.gz CAWMAIVKSPFOAZ-LBPRGKRZSA-N 1 2 261.329 0.203 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1C ZINC000596232664 360846446 /nfs/dbraw/zinc/84/64/46/360846446.db2.gz RHCLIBHOTJWGFN-YPMHNXCESA-N 1 2 275.356 0.591 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@@H](C)CO1 ZINC000596454831 360899227 /nfs/dbraw/zinc/89/92/27/360899227.db2.gz VIPCCXASRAIJRA-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@@H](C)CO1 ZINC000596454831 360899230 /nfs/dbraw/zinc/89/92/30/360899230.db2.gz VIPCCXASRAIJRA-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596426547 360891301 /nfs/dbraw/zinc/89/13/01/360891301.db2.gz BQYSBZBHEHEVNQ-NWDGAFQWSA-N 1 2 275.356 0.600 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596426547 360891305 /nfs/dbraw/zinc/89/13/05/360891305.db2.gz BQYSBZBHEHEVNQ-NWDGAFQWSA-N 1 2 275.356 0.600 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596553468 360920071 /nfs/dbraw/zinc/92/00/71/360920071.db2.gz YNBDZBWWCZQMHM-IJLUTSLNSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596553468 360920073 /nfs/dbraw/zinc/92/00/73/360920073.db2.gz YNBDZBWWCZQMHM-IJLUTSLNSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@@H](NC(=O)N=c1ccn(CCC#N)[nH]1)c1[nH+]ccn1C ZINC000596749411 360950962 /nfs/dbraw/zinc/95/09/62/360950962.db2.gz IUVKAKWYDPFWCY-SNVBAGLBSA-N 1 2 287.327 0.835 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000597160692 361018916 /nfs/dbraw/zinc/01/89/16/361018916.db2.gz DSWXKAQPYPFAKI-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597273238 361047598 /nfs/dbraw/zinc/04/75/98/361047598.db2.gz MFLQDGZVPILION-SECBINFHSA-N 1 2 276.296 0.040 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597273238 361047599 /nfs/dbraw/zinc/04/75/99/361047599.db2.gz MFLQDGZVPILION-SECBINFHSA-N 1 2 276.296 0.040 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000597782548 361243976 /nfs/dbraw/zinc/24/39/76/361243976.db2.gz YCKJOMCXFXOIJZ-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)[C@@H](C)CO1 ZINC000597999942 361305824 /nfs/dbraw/zinc/30/58/24/361305824.db2.gz TVMBAVMBFAIQDO-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)[C@@H](C)CO1 ZINC000597999942 361305831 /nfs/dbraw/zinc/30/58/31/361305831.db2.gz TVMBAVMBFAIQDO-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000597998672 361306111 /nfs/dbraw/zinc/30/61/11/361306111.db2.gz PYUXSSIRONEHTH-QWHCGFSZSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000597998672 361306115 /nfs/dbraw/zinc/30/61/15/361306115.db2.gz PYUXSSIRONEHTH-QWHCGFSZSA-N 1 2 295.383 0.532 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000182464698 189324584 /nfs/dbraw/zinc/32/45/84/189324584.db2.gz AURXIZRGWIHOSR-CYBMUJFWSA-N 1 2 259.309 0.505 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000182464698 189324585 /nfs/dbraw/zinc/32/45/85/189324585.db2.gz AURXIZRGWIHOSR-CYBMUJFWSA-N 1 2 259.309 0.505 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000598612302 361459235 /nfs/dbraw/zinc/45/92/35/361459235.db2.gz UWRPSYYSMHWCLM-NSHDSACASA-N 1 2 293.371 0.990 20 30 CCEDLO CCCn1nccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598837635 361523458 /nfs/dbraw/zinc/52/34/58/361523458.db2.gz XNGRSYFVKWCJMH-CYBMUJFWSA-N 1 2 263.345 0.867 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C(C)(C)n1cccn1 ZINC000598836400 361523500 /nfs/dbraw/zinc/52/35/00/361523500.db2.gz IETKHASXVCTXLI-CYBMUJFWSA-N 1 2 263.345 0.578 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)ccn1 ZINC000598948561 361537487 /nfs/dbraw/zinc/53/74/87/361537487.db2.gz RJNIXLDASQZSKI-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599159515 361592062 /nfs/dbraw/zinc/59/20/62/361592062.db2.gz CKESIQAVRUSWOE-SNVBAGLBSA-N 1 2 277.284 0.026 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599159515 361592068 /nfs/dbraw/zinc/59/20/68/361592068.db2.gz CKESIQAVRUSWOE-SNVBAGLBSA-N 1 2 277.284 0.026 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000599191638 361606573 /nfs/dbraw/zinc/60/65/73/361606573.db2.gz BIOFBWSNEYQZTK-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000599191638 361606577 /nfs/dbraw/zinc/60/65/77/361606577.db2.gz BIOFBWSNEYQZTK-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1C#N ZINC000599338027 361658930 /nfs/dbraw/zinc/65/89/30/361658930.db2.gz PDMIVZMZBKYARM-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1C#N ZINC000599338027 361658935 /nfs/dbraw/zinc/65/89/35/361658935.db2.gz PDMIVZMZBKYARM-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000599363204 361668902 /nfs/dbraw/zinc/66/89/02/361668902.db2.gz VGVLHSBIJPRTMU-YPMHNXCESA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000599363204 361668906 /nfs/dbraw/zinc/66/89/06/361668906.db2.gz VGVLHSBIJPRTMU-YPMHNXCESA-N 1 2 254.330 0.926 20 30 CCEDLO C=C1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631925649 370761698 /nfs/dbraw/zinc/76/16/98/370761698.db2.gz XXDAXBHOHBWANR-GFCCVEGCSA-N 1 2 274.386 0.299 20 30 CCEDLO C=C1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631925649 370761704 /nfs/dbraw/zinc/76/17/04/370761704.db2.gz XXDAXBHOHBWANR-GFCCVEGCSA-N 1 2 274.386 0.299 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH+]c(C)nc1N ZINC000614739279 364716291 /nfs/dbraw/zinc/71/62/91/364716291.db2.gz IGDDNAVTBNVCTD-LBPRGKRZSA-N 1 2 291.355 0.285 20 30 CCEDLO N#C[C@]1(F)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000615646016 365035640 /nfs/dbraw/zinc/03/56/40/365035640.db2.gz PPRHYFWBRVRSDR-FRRDWIJNSA-N 1 2 253.321 0.787 20 30 CCEDLO N#C[C@]1(F)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000615646016 365035646 /nfs/dbraw/zinc/03/56/46/365035646.db2.gz PPRHYFWBRVRSDR-FRRDWIJNSA-N 1 2 253.321 0.787 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2cnc(C#N)cn2)C1 ZINC000275685346 193105654 /nfs/dbraw/zinc/10/56/54/193105654.db2.gz MHIGTZJHFMXWLD-CQSZACIVSA-N 1 2 287.367 0.895 20 30 CCEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2cnc(C#N)cn2)C1 ZINC000275685346 193105655 /nfs/dbraw/zinc/10/56/55/193105655.db2.gz MHIGTZJHFMXWLD-CQSZACIVSA-N 1 2 287.367 0.895 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623986239 367716992 /nfs/dbraw/zinc/71/69/92/367716992.db2.gz QOWJRQMRFJQNDH-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623986239 367716994 /nfs/dbraw/zinc/71/69/94/367716994.db2.gz QOWJRQMRFJQNDH-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000624655864 367945928 /nfs/dbraw/zinc/94/59/28/367945928.db2.gz GJLPTVGBXDSOKF-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000624655864 367945934 /nfs/dbraw/zinc/94/59/34/367945934.db2.gz GJLPTVGBXDSOKF-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624728816 367969326 /nfs/dbraw/zinc/96/93/26/367969326.db2.gz BFDYWNGVTYTTIP-CHWSQXEVSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624728816 367969331 /nfs/dbraw/zinc/96/93/31/367969331.db2.gz BFDYWNGVTYTTIP-CHWSQXEVSA-N 1 2 267.373 0.925 20 30 CCEDLO C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C(N)=O)C1 ZINC000574205650 335000886 /nfs/dbraw/zinc/00/08/86/335000886.db2.gz GEXIJZMQEOHXKQ-MFKMUULPSA-N 1 2 298.350 0.687 20 30 CCEDLO C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C(N)=O)C1 ZINC000574205650 335000887 /nfs/dbraw/zinc/00/08/87/335000887.db2.gz GEXIJZMQEOHXKQ-MFKMUULPSA-N 1 2 298.350 0.687 20 30 CCEDLO CC(C)(NC(=O)CNc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000566861043 291443125 /nfs/dbraw/zinc/44/31/25/291443125.db2.gz XTTCTXSVHGDTLP-UHFFFAOYSA-N 1 2 284.323 0.562 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1F ZINC000330650996 203078616 /nfs/dbraw/zinc/07/86/16/203078616.db2.gz PUJFNBIDEATSEL-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1F ZINC000330650996 203078619 /nfs/dbraw/zinc/07/86/19/203078619.db2.gz PUJFNBIDEATSEL-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631639115 370621088 /nfs/dbraw/zinc/62/10/88/370621088.db2.gz WBDYWAKVRWBHIZ-LBPRGKRZSA-N 1 2 274.386 0.321 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631639115 370621090 /nfs/dbraw/zinc/62/10/90/370621090.db2.gz WBDYWAKVRWBHIZ-LBPRGKRZSA-N 1 2 274.386 0.321 20 30 CCEDLO C=C(CC)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632425911 371056485 /nfs/dbraw/zinc/05/64/85/371056485.db2.gz KGHRSABZKULMQT-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(CC)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632425911 371056490 /nfs/dbraw/zinc/05/64/90/371056490.db2.gz KGHRSABZKULMQT-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC000490964042 261268595 /nfs/dbraw/zinc/26/85/95/261268595.db2.gz YMYYECGDICXJPR-QWHCGFSZSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000491041391 261306347 /nfs/dbraw/zinc/30/63/47/261306347.db2.gz YWGRHQCYUZAOFE-NSHDSACASA-N 1 2 261.329 0.431 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)c(O)co2)nn1 ZINC000640828427 376567322 /nfs/dbraw/zinc/56/73/22/376567322.db2.gz FIFSDTBKDDNWRE-UHFFFAOYSA-N 1 2 274.280 0.098 20 30 CCEDLO C=CCN(CC=C)C(=O)Cn1cc(C[NH2+]CC#CC)nn1 ZINC000640791424 376540511 /nfs/dbraw/zinc/54/05/11/376540511.db2.gz GGJDAXXPNLMKGH-UHFFFAOYSA-N 1 2 287.367 0.592 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[NH2+]CC#CC)nn1 ZINC000640791792 376541745 /nfs/dbraw/zinc/54/17/45/376541745.db2.gz GCXHMJRPJZSQII-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000640883116 376596086 /nfs/dbraw/zinc/59/60/86/376596086.db2.gz ATKPALIJEDQALW-LLVKDONJSA-N 1 2 261.329 0.254 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC(C)(C)C)nn1 ZINC000640882755 376596579 /nfs/dbraw/zinc/59/65/79/376596579.db2.gz VADMCUYOYMKDLV-LLVKDONJSA-N 1 2 277.372 0.867 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)CC)nn1 ZINC000640921401 376616331 /nfs/dbraw/zinc/61/63/31/376616331.db2.gz QHHSBCPHVYGHHN-LBPRGKRZSA-N 1 2 277.372 0.820 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)CC)nn1 ZINC000640921400 376616396 /nfs/dbraw/zinc/61/63/96/376616396.db2.gz QHHSBCPHVYGHHN-GFCCVEGCSA-N 1 2 277.372 0.820 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn(CC3CC3)nn2)nn1 ZINC000641111092 376791241 /nfs/dbraw/zinc/79/12/41/376791241.db2.gz QWMUSUFAQBQNBT-UHFFFAOYSA-N 1 2 285.355 0.441 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cnc(C)nc2)nn1 ZINC000641154561 376816984 /nfs/dbraw/zinc/81/69/84/376816984.db2.gz JKRMLZSZNBJMOG-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C3CC3)nn2C)nn1 ZINC000641173519 376843085 /nfs/dbraw/zinc/84/30/85/376843085.db2.gz JNRONIVJOUVNKM-UHFFFAOYSA-N 1 2 285.355 0.445 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncncc2C)CC1 ZINC000641269668 376956139 /nfs/dbraw/zinc/95/61/39/376956139.db2.gz UFFYIWPXMZMUAH-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO CC#CC[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000641766861 377451981 /nfs/dbraw/zinc/45/19/81/377451981.db2.gz COVBUFIFFRCCFB-JTQLQIEISA-N 1 2 251.334 0.292 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459631167 249048769 /nfs/dbraw/zinc/04/87/69/249048769.db2.gz JLHIYNFDYCKQHZ-CQSZACIVSA-N 1 2 291.307 0.786 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459631167 249048774 /nfs/dbraw/zinc/04/87/74/249048774.db2.gz JLHIYNFDYCKQHZ-CQSZACIVSA-N 1 2 291.307 0.786 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459669134 249050970 /nfs/dbraw/zinc/05/09/70/249050970.db2.gz CJRAMRIGDBYSMR-WCQYABFASA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459669134 249050971 /nfs/dbraw/zinc/05/09/71/249050971.db2.gz CJRAMRIGDBYSMR-WCQYABFASA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ncn1 ZINC000517442743 249219614 /nfs/dbraw/zinc/21/96/14/249219614.db2.gz AURJHLLUUFKRPH-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267649735 190344590 /nfs/dbraw/zinc/34/45/90/190344590.db2.gz KXSNOLLETGEYSH-SKDRFNHKSA-N 1 2 258.293 0.264 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267649735 190344591 /nfs/dbraw/zinc/34/45/91/190344591.db2.gz KXSNOLLETGEYSH-SKDRFNHKSA-N 1 2 258.293 0.264 20 30 CCEDLO C=C(C)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000268564608 190411289 /nfs/dbraw/zinc/41/12/89/190411289.db2.gz ABEUUHUQFLGSKX-UHFFFAOYSA-N 1 2 295.339 0.076 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)CS(C)(=O)=O)nn1 ZINC000657360347 412967864 /nfs/dbraw/zinc/96/78/64/412967864.db2.gz CXTXTRWYURPWLS-SNVBAGLBSA-N 1 2 272.374 0.377 20 30 CCEDLO C=CC[C@@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657426960 412990023 /nfs/dbraw/zinc/99/00/23/412990023.db2.gz MXDDJWMJARNQNV-SNVBAGLBSA-N 1 2 253.350 0.702 20 30 CCEDLO Cc1cc(NC(=O)NCCn2cnc(C#N)n2)cc[nH+]1 ZINC000287291465 196824777 /nfs/dbraw/zinc/82/47/77/196824777.db2.gz ZPITUEDYWWOQTJ-UHFFFAOYSA-N 1 2 271.284 0.675 20 30 CCEDLO C#CC[N@@H+](CCNS(C)(=O)=O)Cc1ccccc1 ZINC000285451674 388793235 /nfs/dbraw/zinc/79/32/35/388793235.db2.gz ACHZOOFCXBIXKA-UHFFFAOYSA-N 1 2 266.366 0.671 20 30 CCEDLO C#CC[N@H+](CCNS(C)(=O)=O)Cc1ccccc1 ZINC000285451674 388793241 /nfs/dbraw/zinc/79/32/41/388793241.db2.gz ACHZOOFCXBIXKA-UHFFFAOYSA-N 1 2 266.366 0.671 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000285539788 388794809 /nfs/dbraw/zinc/79/48/09/388794809.db2.gz FWFHEWDGQGLGMV-UHFFFAOYSA-N 1 2 285.347 0.080 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000285539788 388794814 /nfs/dbraw/zinc/79/48/14/388794814.db2.gz FWFHEWDGQGLGMV-UHFFFAOYSA-N 1 2 285.347 0.080 20 30 CCEDLO C=CCSCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000286627991 388843634 /nfs/dbraw/zinc/84/36/34/388843634.db2.gz ZJOGZZDFPOUTRQ-UHFFFAOYSA-N 1 2 296.396 0.414 20 30 CCEDLO COC(=O)c1ccc(CO[NH+]=C(N)CCO)cc1F ZINC000186790002 388851638 /nfs/dbraw/zinc/85/16/38/388851638.db2.gz YCPIXRXLFVOKLS-UHFFFAOYSA-N 1 2 270.260 0.784 20 30 CCEDLO C#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000289529267 388871207 /nfs/dbraw/zinc/87/12/07/388871207.db2.gz FCVCQYXMZVSPQX-ZIAGYGMSSA-N 1 2 259.305 0.776 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000289529267 388871210 /nfs/dbraw/zinc/87/12/10/388871210.db2.gz FCVCQYXMZVSPQX-ZIAGYGMSSA-N 1 2 259.305 0.776 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286956831 388847244 /nfs/dbraw/zinc/84/72/44/388847244.db2.gz OSBSAJTWWWCGEJ-MFKMUULPSA-N 1 2 287.335 0.183 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286956831 388847250 /nfs/dbraw/zinc/84/72/50/388847250.db2.gz OSBSAJTWWWCGEJ-MFKMUULPSA-N 1 2 287.335 0.183 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000287230032 388849601 /nfs/dbraw/zinc/84/96/01/388849601.db2.gz IIGBQFVHZIOVKU-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290937949 388915333 /nfs/dbraw/zinc/91/53/33/388915333.db2.gz OCBBXLYLMKFDFO-GDBMZVCRSA-N 1 2 288.391 0.971 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C(C)(C)C ZINC000291556867 388927215 /nfs/dbraw/zinc/92/72/15/388927215.db2.gz MSZCPEQRAHTHPB-NSHDSACASA-N 1 2 298.412 0.675 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C(C)(C)C ZINC000291556865 388927502 /nfs/dbraw/zinc/92/75/02/388927502.db2.gz MSZCPEQRAHTHPB-LLVKDONJSA-N 1 2 298.412 0.675 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000188707330 388938491 /nfs/dbraw/zinc/93/84/91/388938491.db2.gz UPZMBFVVLIXQNI-TZMCWYRMSA-N 1 2 251.374 0.705 20 30 CCEDLO N#CCNC(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000066497773 388945216 /nfs/dbraw/zinc/94/52/16/388945216.db2.gz IIKUQOCZWUYCRN-UHFFFAOYSA-N 1 2 280.372 0.384 20 30 CCEDLO N#CCNC(=O)C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000066497773 388945217 /nfs/dbraw/zinc/94/52/17/388945217.db2.gz IIKUQOCZWUYCRN-UHFFFAOYSA-N 1 2 280.372 0.384 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000292215161 388946671 /nfs/dbraw/zinc/94/66/71/388946671.db2.gz CZKUALQMIUOPDS-LLVKDONJSA-N 1 2 264.329 0.494 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292568122 388951403 /nfs/dbraw/zinc/95/14/03/388951403.db2.gz UTDZYKNXXLHTLM-NSHDSACASA-N 1 2 274.324 0.723 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1[nH+]ccn1C ZINC000336897879 389028812 /nfs/dbraw/zinc/02/88/12/389028812.db2.gz OUQMHMVGZNEBOB-SNVBAGLBSA-N 1 2 285.373 0.236 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735496 389032177 /nfs/dbraw/zinc/03/21/77/389032177.db2.gz XIWOPONUEMTDNI-AWEZNQCLSA-N 1 2 274.320 0.385 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735496 389032180 /nfs/dbraw/zinc/03/21/80/389032180.db2.gz XIWOPONUEMTDNI-AWEZNQCLSA-N 1 2 274.320 0.385 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000298453197 389021429 /nfs/dbraw/zinc/02/14/29/389021429.db2.gz YFEKZQUOMYBNRX-NSHDSACASA-N 1 2 292.339 0.652 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000298453197 389021431 /nfs/dbraw/zinc/02/14/31/389021431.db2.gz YFEKZQUOMYBNRX-NSHDSACASA-N 1 2 292.339 0.652 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735421 389032595 /nfs/dbraw/zinc/03/25/95/389032595.db2.gz OCBPPAPOQGSLHB-AWEZNQCLSA-N 1 2 274.320 0.385 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735421 389032599 /nfs/dbraw/zinc/03/25/99/389032599.db2.gz OCBPPAPOQGSLHB-AWEZNQCLSA-N 1 2 274.320 0.385 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301069112 389046277 /nfs/dbraw/zinc/04/62/77/389046277.db2.gz DXDPOKMZWNAIGG-UHFFFAOYSA-N 1 2 272.352 0.816 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000337203307 389055174 /nfs/dbraw/zinc/05/51/74/389055174.db2.gz HPESFBMWLMPOPX-STQMWFEESA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000337203307 389055177 /nfs/dbraw/zinc/05/51/77/389055177.db2.gz HPESFBMWLMPOPX-STQMWFEESA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2ccnn2CC)C1=O ZINC000337250911 389057906 /nfs/dbraw/zinc/05/79/06/389057906.db2.gz QVMWXXAYXSSJHB-AWEZNQCLSA-N 1 2 292.383 0.484 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2ccnn2CC)C1=O ZINC000337250911 389057908 /nfs/dbraw/zinc/05/79/08/389057908.db2.gz QVMWXXAYXSSJHB-AWEZNQCLSA-N 1 2 292.383 0.484 20 30 CCEDLO CC[N@H+](CCNS(=O)(=O)CCCOC)C[C@@H](C)C#N ZINC000355559257 389093678 /nfs/dbraw/zinc/09/36/78/389093678.db2.gz VVGPLEIHQRTGFS-LBPRGKRZSA-N 1 2 291.417 0.424 20 30 CCEDLO CC[N@@H+](CCNS(=O)(=O)CCCOC)C[C@@H](C)C#N ZINC000355559257 389093682 /nfs/dbraw/zinc/09/36/82/389093682.db2.gz VVGPLEIHQRTGFS-LBPRGKRZSA-N 1 2 291.417 0.424 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000194010398 389085845 /nfs/dbraw/zinc/08/58/45/389085845.db2.gz UEBRRGHTEBXGKX-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000194010398 389085847 /nfs/dbraw/zinc/08/58/47/389085847.db2.gz UEBRRGHTEBXGKX-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000328894648 389144298 /nfs/dbraw/zinc/14/42/98/389144298.db2.gz AYGXIUIGXAMDIF-DGCLKSJQSA-N 1 2 278.356 0.733 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000328894648 389144299 /nfs/dbraw/zinc/14/42/99/389144299.db2.gz AYGXIUIGXAMDIF-DGCLKSJQSA-N 1 2 278.356 0.733 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274676 389103618 /nfs/dbraw/zinc/10/36/18/389103618.db2.gz OWIDYCSIUYYDTG-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274676 389103621 /nfs/dbraw/zinc/10/36/21/389103621.db2.gz OWIDYCSIUYYDTG-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593222 389113920 /nfs/dbraw/zinc/11/39/20/389113920.db2.gz PRQIDYBFGKGSJX-KWCYVHTRSA-N 1 2 285.363 0.836 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593222 389113922 /nfs/dbraw/zinc/11/39/22/389113922.db2.gz PRQIDYBFGKGSJX-KWCYVHTRSA-N 1 2 285.363 0.836 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N(C)Cc1cccc(F)c1 ZINC000121375228 389148374 /nfs/dbraw/zinc/14/83/74/389148374.db2.gz SKMFFCJMKBKLPW-JTQLQIEISA-N 1 2 297.330 0.844 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000328985628 389148396 /nfs/dbraw/zinc/14/83/96/389148396.db2.gz GTAVNGPWLXKUOV-SNVBAGLBSA-N 1 2 283.353 0.715 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccc1F ZINC000122003277 389150406 /nfs/dbraw/zinc/15/04/06/389150406.db2.gz PRAYKKZQWVRTTQ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ccc1F ZINC000122003277 389150407 /nfs/dbraw/zinc/15/04/07/389150407.db2.gz PRAYKKZQWVRTTQ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339000066 389120734 /nfs/dbraw/zinc/12/07/34/389120734.db2.gz TUTXCFHRMQKUPR-ZDUSSCGKSA-N 1 2 296.415 0.795 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339000066 389120735 /nfs/dbraw/zinc/12/07/35/389120735.db2.gz TUTXCFHRMQKUPR-ZDUSSCGKSA-N 1 2 296.415 0.795 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCCO1 ZINC000328709030 389133642 /nfs/dbraw/zinc/13/36/42/389133642.db2.gz QPTDCNMCTXGEOA-NSHDSACASA-N 1 2 257.334 0.649 20 30 CCEDLO Cc1ccnc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000339664808 389136197 /nfs/dbraw/zinc/13/61/97/389136197.db2.gz GFKQUZBAAXLFKS-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO C[C@]1(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC000328852944 389141538 /nfs/dbraw/zinc/14/15/38/389141538.db2.gz IYWSUKIXLGNLAF-AWEZNQCLSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@]1(NC(=O)NCC[N@H+]2CCOCC2(C)C)CCOC1 ZINC000328852944 389141540 /nfs/dbraw/zinc/14/15/40/389141540.db2.gz IYWSUKIXLGNLAF-AWEZNQCLSA-N 1 2 285.388 0.780 20 30 CCEDLO O=C(C[N@H+]1CCSC[C@@H]1CO)NC1CCOCC1 ZINC000329665457 389185055 /nfs/dbraw/zinc/18/50/55/389185055.db2.gz QTIJZXNIPTUDDW-NSHDSACASA-N 1 2 274.386 0.532 20 30 CCEDLO O=C(C[N@@H+]1CCSC[C@@H]1CO)NC1CCOCC1 ZINC000329665457 389185058 /nfs/dbraw/zinc/18/50/58/389185058.db2.gz QTIJZXNIPTUDDW-NSHDSACASA-N 1 2 274.386 0.532 20 30 CCEDLO C#CCNC(=O)c1ccc(N2CCn3cc(C)[nH+]c3C2)nc1 ZINC000359995630 389187653 /nfs/dbraw/zinc/18/76/53/389187653.db2.gz OZHGJDGUECFGAB-UHFFFAOYSA-N 1 2 295.346 0.970 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000360956949 389206012 /nfs/dbraw/zinc/20/60/12/389206012.db2.gz JHWRDWBFANGVLQ-QWHCGFSZSA-N 1 2 253.342 0.993 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000360956949 389206014 /nfs/dbraw/zinc/20/60/14/389206014.db2.gz JHWRDWBFANGVLQ-QWHCGFSZSA-N 1 2 253.342 0.993 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCOC1 ZINC000329735598 389194155 /nfs/dbraw/zinc/19/41/55/389194155.db2.gz LCDWYNFHTHICKH-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCOC1 ZINC000329735598 389194158 /nfs/dbraw/zinc/19/41/58/389194158.db2.gz LCDWYNFHTHICKH-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000329331844 389157659 /nfs/dbraw/zinc/15/76/59/389157659.db2.gz ZTOBMZUTHUPTBY-XQQFMLRXSA-N 1 2 283.372 0.137 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000329331844 389157663 /nfs/dbraw/zinc/15/76/63/389157663.db2.gz ZTOBMZUTHUPTBY-XQQFMLRXSA-N 1 2 283.372 0.137 20 30 CCEDLO CCN(CCC#N)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000123867430 389158163 /nfs/dbraw/zinc/15/81/63/389158163.db2.gz BUIQBXSUCRKHQD-UHFFFAOYSA-N 1 2 276.296 0.791 20 30 CCEDLO Nc1noc(CCNC(=O)C2([NH+]3CCOCC3)CCC2)n1 ZINC000329346467 389158430 /nfs/dbraw/zinc/15/84/30/389158430.db2.gz VDNHQYQBYINRSX-UHFFFAOYSA-N 1 2 295.343 0.236 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329815104 389204136 /nfs/dbraw/zinc/20/41/36/389204136.db2.gz DKIGBSSXNVFTBN-UHFFFAOYSA-N 1 2 260.301 0.844 20 30 CCEDLO N#Cc1ccc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)[nH]1 ZINC000231028732 389160559 /nfs/dbraw/zinc/16/05/59/389160559.db2.gz PKZWJVAMSFZUGD-NSHDSACASA-N 1 2 270.296 0.609 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CCCC1=O ZINC000329394064 389161393 /nfs/dbraw/zinc/16/13/93/389161393.db2.gz STLQAXBBRPRAKS-LLVKDONJSA-N 1 2 297.355 0.203 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1C(=O)CCCC1=O ZINC000329394064 389161395 /nfs/dbraw/zinc/16/13/95/389161395.db2.gz STLQAXBBRPRAKS-LLVKDONJSA-N 1 2 297.355 0.203 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCn2cccn2)C1 ZINC000329401870 389161885 /nfs/dbraw/zinc/16/18/85/389161885.db2.gz ZDLQTBUQGVZBMY-LBPRGKRZSA-N 1 2 265.361 0.476 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCn2cccn2)C1 ZINC000329401870 389161887 /nfs/dbraw/zinc/16/18/87/389161887.db2.gz ZDLQTBUQGVZBMY-LBPRGKRZSA-N 1 2 265.361 0.476 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2nccs2)C1 ZINC000329396640 389161978 /nfs/dbraw/zinc/16/19/78/389161978.db2.gz XOXDRIGRUSTZFN-SNVBAGLBSA-N 1 2 283.401 0.393 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2nccs2)C1 ZINC000329396640 389161980 /nfs/dbraw/zinc/16/19/80/389161980.db2.gz XOXDRIGRUSTZFN-SNVBAGLBSA-N 1 2 283.401 0.393 20 30 CCEDLO CCc1cc(C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc(=O)[nH]1 ZINC000329485851 389166624 /nfs/dbraw/zinc/16/66/24/389166624.db2.gz STHAUZWTNLVDRN-CYBMUJFWSA-N 1 2 292.383 0.900 20 30 CCEDLO CCc1cc(C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc(=O)[nH]1 ZINC000329485851 389166626 /nfs/dbraw/zinc/16/66/26/389166626.db2.gz STHAUZWTNLVDRN-CYBMUJFWSA-N 1 2 292.383 0.900 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329549861 389170320 /nfs/dbraw/zinc/17/03/20/389170320.db2.gz JBJSVXRFHRQUQL-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329549861 389170324 /nfs/dbraw/zinc/17/03/24/389170324.db2.gz JBJSVXRFHRQUQL-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO CC#CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248387027 389245716 /nfs/dbraw/zinc/24/57/16/389245716.db2.gz AAVCMTWWEBHQBJ-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248387027 389245719 /nfs/dbraw/zinc/24/57/19/389245719.db2.gz AAVCMTWWEBHQBJ-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248642744 389247447 /nfs/dbraw/zinc/24/74/47/389247447.db2.gz ZVIJXDYSQSDZJJ-HUUCEWRRSA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248642744 389247448 /nfs/dbraw/zinc/24/74/48/389247448.db2.gz ZVIJXDYSQSDZJJ-HUUCEWRRSA-N 1 2 294.399 0.771 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000363545612 389250810 /nfs/dbraw/zinc/25/08/10/389250810.db2.gz LYDGFYIBVSQYRV-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000363545612 389250812 /nfs/dbraw/zinc/25/08/12/389250812.db2.gz LYDGFYIBVSQYRV-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO C=CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000342735259 389252364 /nfs/dbraw/zinc/25/23/64/389252364.db2.gz LYIFIJCSZNEUNP-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@H+](C)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000342735259 389252366 /nfs/dbraw/zinc/25/23/66/389252366.db2.gz LYIFIJCSZNEUNP-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000343169023 389260292 /nfs/dbraw/zinc/26/02/92/389260292.db2.gz FHFGUTMTBMKQOX-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000343169023 389260293 /nfs/dbraw/zinc/26/02/93/389260293.db2.gz FHFGUTMTBMKQOX-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO CN(CCC#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361089828 389207992 /nfs/dbraw/zinc/20/79/92/389207992.db2.gz VSTAWYRVIXWOGV-UHFFFAOYSA-N 1 2 251.330 0.613 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC000361112306 389208661 /nfs/dbraw/zinc/20/86/61/389208661.db2.gz XZZHUTFBLURNST-UTUOFQBUSA-N 1 2 257.330 0.888 20 30 CCEDLO CCN1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC1=O ZINC000329894765 389209760 /nfs/dbraw/zinc/20/97/60/389209760.db2.gz BPXRPWVFJNHPFK-LBPRGKRZSA-N 1 2 295.383 0.676 20 30 CCEDLO CC1(CNC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)COC1 ZINC000329895273 389209858 /nfs/dbraw/zinc/20/98/58/389209858.db2.gz KJYRJSRJSAJBRF-NSHDSACASA-N 1 2 278.356 0.986 20 30 CCEDLO CC1(C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)COC1 ZINC000329895273 389209859 /nfs/dbraw/zinc/20/98/59/389209859.db2.gz KJYRJSRJSAJBRF-NSHDSACASA-N 1 2 278.356 0.986 20 30 CCEDLO CC#CCCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000361642640 389221800 /nfs/dbraw/zinc/22/18/00/389221800.db2.gz JUWLDLWZWMDALH-OAHLLOKOSA-N 1 2 292.427 0.821 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000330376604 389222425 /nfs/dbraw/zinc/22/24/25/389222425.db2.gz DPUSDBXZHFKJCB-ZJUUUORDSA-N 1 2 253.302 0.009 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000330376604 389222426 /nfs/dbraw/zinc/22/24/26/389222426.db2.gz DPUSDBXZHFKJCB-ZJUUUORDSA-N 1 2 253.302 0.009 20 30 CCEDLO C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)n1cnc(C#N)n1 ZINC000342573057 389223813 /nfs/dbraw/zinc/22/38/13/389223813.db2.gz RZEGSYWJCAPPNH-JTQLQIEISA-N 1 2 299.338 0.488 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(C)(C)C(N)=O)CC2)C1=O ZINC000330411865 389225813 /nfs/dbraw/zinc/22/58/13/389225813.db2.gz ZFRNQXZOEHGTRM-GFCCVEGCSA-N 1 2 294.399 0.705 20 30 CCEDLO C=CCN1CC[C@@H](N2CC[NH+](C(C)(C)C(N)=O)CC2)C1=O ZINC000330411865 389225815 /nfs/dbraw/zinc/22/58/15/389225815.db2.gz ZFRNQXZOEHGTRM-GFCCVEGCSA-N 1 2 294.399 0.705 20 30 CCEDLO C=CC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246454402 389228356 /nfs/dbraw/zinc/22/83/56/389228356.db2.gz OURVFVHYXXXHLX-NWDGAFQWSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246454402 389228360 /nfs/dbraw/zinc/22/83/60/389228360.db2.gz OURVFVHYXXXHLX-NWDGAFQWSA-N 1 2 259.371 0.841 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCOCC1 ZINC000330453953 389231163 /nfs/dbraw/zinc/23/11/63/389231163.db2.gz LUJTUKGOGKMFKU-SNVBAGLBSA-N 1 2 252.318 0.954 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC1CCOCC1 ZINC000330453953 389231164 /nfs/dbraw/zinc/23/11/64/389231164.db2.gz LUJTUKGOGKMFKU-SNVBAGLBSA-N 1 2 252.318 0.954 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C1CCOCC1 ZINC000330453953 389231167 /nfs/dbraw/zinc/23/11/67/389231167.db2.gz LUJTUKGOGKMFKU-SNVBAGLBSA-N 1 2 252.318 0.954 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000330517471 389237919 /nfs/dbraw/zinc/23/79/19/389237919.db2.gz MRRORPWPUMJQJR-ZDUSSCGKSA-N 1 2 269.345 0.704 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000330517471 389237922 /nfs/dbraw/zinc/23/79/22/389237922.db2.gz MRRORPWPUMJQJR-ZDUSSCGKSA-N 1 2 269.345 0.704 20 30 CCEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)NCC#N ZINC000330543242 389240313 /nfs/dbraw/zinc/24/03/13/389240313.db2.gz AWNCTWDROYBAGG-YNEHKIRRSA-N 1 2 281.356 0.142 20 30 CCEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)NCC#N ZINC000330543242 389240317 /nfs/dbraw/zinc/24/03/17/389240317.db2.gz AWNCTWDROYBAGG-YNEHKIRRSA-N 1 2 281.356 0.142 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784361 389314704 /nfs/dbraw/zinc/31/47/04/389314704.db2.gz ABWHMTIBPULTNC-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784361 389314708 /nfs/dbraw/zinc/31/47/08/389314708.db2.gz ABWHMTIBPULTNC-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000331895749 389315269 /nfs/dbraw/zinc/31/52/69/389315269.db2.gz RSSPQGOACPZEHT-AAEUAGOBSA-N 1 2 283.397 0.205 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000331895749 389315271 /nfs/dbraw/zinc/31/52/71/389315271.db2.gz RSSPQGOACPZEHT-AAEUAGOBSA-N 1 2 283.397 0.205 20 30 CCEDLO N#CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345851826 389316567 /nfs/dbraw/zinc/31/65/67/389316567.db2.gz SXLMEEWQWQZZPN-CYBMUJFWSA-N 1 2 280.372 0.796 20 30 CCEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000156532088 389325886 /nfs/dbraw/zinc/32/58/86/389325886.db2.gz GXQWKMNXHRWKPH-UHFFFAOYSA-N 1 2 293.392 0.801 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cn1 ZINC000332088329 389334662 /nfs/dbraw/zinc/33/46/62/389334662.db2.gz JNHHGEWHCUISOG-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO C[N@H+](CC(=O)NC(C)(C)C)CC(=O)NC1(C#N)CCC1 ZINC000346885467 389340119 /nfs/dbraw/zinc/34/01/19/389340119.db2.gz TWWDGUKAPAEPPJ-UHFFFAOYSA-N 1 2 280.372 0.395 20 30 CCEDLO C[N@@H+](CC(=O)NC(C)(C)C)CC(=O)NC1(C#N)CCC1 ZINC000346885467 389340124 /nfs/dbraw/zinc/34/01/24/389340124.db2.gz TWWDGUKAPAEPPJ-UHFFFAOYSA-N 1 2 280.372 0.395 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331050387 389296827 /nfs/dbraw/zinc/29/68/27/389296827.db2.gz KYIRRDVNXZKKSW-JTQLQIEISA-N 1 2 269.345 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331050387 389296829 /nfs/dbraw/zinc/29/68/29/389296829.db2.gz KYIRRDVNXZKKSW-JTQLQIEISA-N 1 2 269.345 0.702 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366569896 389305586 /nfs/dbraw/zinc/30/55/86/389305586.db2.gz IIFNCASOCVQBRA-UMVBOHGHSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366569896 389305587 /nfs/dbraw/zinc/30/55/87/389305587.db2.gz IIFNCASOCVQBRA-UMVBOHGHSA-N 1 2 295.383 0.627 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348367443 389375117 /nfs/dbraw/zinc/37/51/17/389375117.db2.gz RICSAPJCEQTOTK-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348367443 389375120 /nfs/dbraw/zinc/37/51/20/389375120.db2.gz RICSAPJCEQTOTK-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349106554 389404427 /nfs/dbraw/zinc/40/44/27/389404427.db2.gz YOPQGYNEHNKPIN-CHWSQXEVSA-N 1 2 295.362 0.818 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349106554 389404433 /nfs/dbraw/zinc/40/44/33/389404433.db2.gz YOPQGYNEHNKPIN-CHWSQXEVSA-N 1 2 295.362 0.818 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)n1 ZINC000348095178 389365202 /nfs/dbraw/zinc/36/52/02/389365202.db2.gz JLTGSLFYKYAPFQ-SNVBAGLBSA-N 1 2 290.327 0.685 20 30 CCEDLO N#CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000372020439 389441689 /nfs/dbraw/zinc/44/16/89/389441689.db2.gz LHMGKJBFOKNJMO-LBPRGKRZSA-N 1 2 251.330 0.613 20 30 CCEDLO Cn1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000276704632 389531442 /nfs/dbraw/zinc/53/14/42/389531442.db2.gz BRAHZWILUXLOHY-ZDUSSCGKSA-N 1 2 281.381 0.906 20 30 CCEDLO Cn1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000276704632 389531446 /nfs/dbraw/zinc/53/14/46/389531446.db2.gz BRAHZWILUXLOHY-ZDUSSCGKSA-N 1 2 281.381 0.906 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)s1 ZINC000373971182 389532134 /nfs/dbraw/zinc/53/21/34/389532134.db2.gz XEWMVUQXCFAOKH-VXGBXAGGSA-N 1 2 277.349 0.709 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)s1 ZINC000373971182 389532136 /nfs/dbraw/zinc/53/21/36/389532136.db2.gz XEWMVUQXCFAOKH-VXGBXAGGSA-N 1 2 277.349 0.709 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@]3(CCSC3)C2)C1=O ZINC000335408113 389554302 /nfs/dbraw/zinc/55/43/02/389554302.db2.gz MVZZWSSYVBCDAC-OCCSQVGLSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@]3(CCSC3)C2)C1=O ZINC000335408113 389554307 /nfs/dbraw/zinc/55/43/07/389554307.db2.gz MVZZWSSYVBCDAC-OCCSQVGLSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281245530 389612017 /nfs/dbraw/zinc/61/20/17/389612017.db2.gz GKGJJZXFCLOWFG-BETUJISGSA-N 1 2 277.368 0.492 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281245530 389612019 /nfs/dbraw/zinc/61/20/19/389612019.db2.gz GKGJJZXFCLOWFG-BETUJISGSA-N 1 2 277.368 0.492 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)C1=O ZINC000281330593 389614513 /nfs/dbraw/zinc/61/45/13/389614513.db2.gz LWTBSEKRBLQTFW-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)C1=O ZINC000281330593 389614515 /nfs/dbraw/zinc/61/45/15/389614515.db2.gz LWTBSEKRBLQTFW-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC2CC2)C1=O ZINC000281384172 389615138 /nfs/dbraw/zinc/61/51/38/389615138.db2.gz PIXBDQOXLORNME-ZYHUDNBSSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC2CC2)C1=O ZINC000281384172 389615141 /nfs/dbraw/zinc/61/51/41/389615141.db2.gz PIXBDQOXLORNME-ZYHUDNBSSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@@H]2CC(C)C)C1=O ZINC000281453810 389616428 /nfs/dbraw/zinc/61/64/28/389616428.db2.gz UWSONKCGRVZFAG-OLZOCXBDSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@@H]2CC(C)C)C1=O ZINC000281453810 389616435 /nfs/dbraw/zinc/61/64/35/389616435.db2.gz UWSONKCGRVZFAG-OLZOCXBDSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC(C)C)C1=O ZINC000281473858 389617344 /nfs/dbraw/zinc/61/73/44/389617344.db2.gz WBACJOVBDLOBFA-LBPRGKRZSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC(C)C)C1=O ZINC000281473858 389617349 /nfs/dbraw/zinc/61/73/49/389617349.db2.gz WBACJOVBDLOBFA-LBPRGKRZSA-N 1 2 267.373 0.477 20 30 CCEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178307460 389601493 /nfs/dbraw/zinc/60/14/93/389601493.db2.gz QUDUKNDJDZCBIV-CABCVRRESA-N 1 2 284.363 0.757 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000182627721 389712521 /nfs/dbraw/zinc/71/25/21/389712521.db2.gz UFBQAPWYTBXEHB-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000182627721 389712526 /nfs/dbraw/zinc/71/25/26/389712526.db2.gz UFBQAPWYTBXEHB-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179357807 389653680 /nfs/dbraw/zinc/65/36/80/389653680.db2.gz MWQJVAAHKVPARM-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179357807 389653684 /nfs/dbraw/zinc/65/36/84/389653684.db2.gz MWQJVAAHKVPARM-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000395992255 389777263 /nfs/dbraw/zinc/77/72/63/389777263.db2.gz GCHNOCDRDBLQCZ-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000395992255 389777265 /nfs/dbraw/zinc/77/72/65/389777265.db2.gz GCHNOCDRDBLQCZ-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352898433 389840589 /nfs/dbraw/zinc/84/05/89/389840589.db2.gz FTTMJJCRLONOFQ-GFCCVEGCSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352898433 389840590 /nfs/dbraw/zinc/84/05/90/389840590.db2.gz FTTMJJCRLONOFQ-GFCCVEGCSA-N 1 2 285.388 0.333 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)Cn1cc[nH+]c1 ZINC000353009308 389844580 /nfs/dbraw/zinc/84/45/80/389844580.db2.gz IBYNLRPBKLEARE-SNVBAGLBSA-N 1 2 252.343 0.892 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000354123947 389860317 /nfs/dbraw/zinc/86/03/17/389860317.db2.gz DYIJJCODOMIEQV-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433318491 389908796 /nfs/dbraw/zinc/90/87/96/389908796.db2.gz GUIRTDFYNJADHI-LBPRGKRZSA-N 1 2 294.399 0.547 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433318491 389908797 /nfs/dbraw/zinc/90/87/97/389908797.db2.gz GUIRTDFYNJADHI-LBPRGKRZSA-N 1 2 294.399 0.547 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000446669790 389939319 /nfs/dbraw/zinc/93/93/19/389939319.db2.gz GGPRLWSBPGBVTQ-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO Cn1ncc2c1nc(N1CCC(C#N)CC1)[nH+]c2N ZINC000436308258 389974073 /nfs/dbraw/zinc/97/40/73/389974073.db2.gz BPIWYDRLSPICII-UHFFFAOYSA-N 1 2 257.301 0.685 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943523 390039365 /nfs/dbraw/zinc/03/93/65/390039365.db2.gz RDQIJBRCZJOJLQ-CHWSQXEVSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943523 390039366 /nfs/dbraw/zinc/03/93/66/390039366.db2.gz RDQIJBRCZJOJLQ-CHWSQXEVSA-N 1 2 297.399 0.466 20 30 CCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584052 389988015 /nfs/dbraw/zinc/98/80/15/389988015.db2.gz BEHBJBJRGLNCSM-SMDDNHRTSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@H](O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448836501 389991179 /nfs/dbraw/zinc/99/11/79/389991179.db2.gz PCGZPIPISZKMAW-ZDUSSCGKSA-N 1 2 283.372 0.222 20 30 CCEDLO N#Cc1ccc(NCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000438171498 390002366 /nfs/dbraw/zinc/00/23/66/390002366.db2.gz XBDHGNAMEJNVMF-OAHLLOKOSA-N 1 2 299.378 0.086 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000491014439 390109400 /nfs/dbraw/zinc/10/94/00/390109400.db2.gz QFNXLNNYDZIVBA-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000491710068 390116230 /nfs/dbraw/zinc/11/62/30/390116230.db2.gz RUCAONDDIOPQTN-QWHCGFSZSA-N 1 2 269.366 0.801 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000491710068 390116231 /nfs/dbraw/zinc/11/62/31/390116231.db2.gz RUCAONDDIOPQTN-QWHCGFSZSA-N 1 2 269.366 0.801 20 30 CCEDLO COC(=O)C[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579361356 390165687 /nfs/dbraw/zinc/16/56/87/390165687.db2.gz SUWIJHGQMOXBAX-GWCFXTLKSA-N 1 2 269.345 0.536 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000580154187 390224086 /nfs/dbraw/zinc/22/40/86/390224086.db2.gz QUCQHCFEPZIERQ-LLVKDONJSA-N 1 2 293.371 0.561 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000580154187 390224088 /nfs/dbraw/zinc/22/40/88/390224088.db2.gz QUCQHCFEPZIERQ-LLVKDONJSA-N 1 2 293.371 0.561 20 30 CCEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CC1 ZINC000541707957 390244643 /nfs/dbraw/zinc/24/46/43/390244643.db2.gz BWPZCVZXCJRSNB-LBPRGKRZSA-N 1 2 251.374 0.799 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000582129940 390263634 /nfs/dbraw/zinc/26/36/34/390263634.db2.gz JRTXJACKIDECLQ-UHFFFAOYSA-N 1 2 279.262 0.623 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000592522291 390363369 /nfs/dbraw/zinc/36/33/69/390363369.db2.gz KTFPMLIVNYPJCE-CYBMUJFWSA-N 1 2 257.297 0.580 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000592522291 390363372 /nfs/dbraw/zinc/36/33/72/390363372.db2.gz KTFPMLIVNYPJCE-CYBMUJFWSA-N 1 2 257.297 0.580 20 30 CCEDLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522952 390364155 /nfs/dbraw/zinc/36/41/55/390364155.db2.gz UISWVYUCRNFAPU-LLVKDONJSA-N 1 2 254.721 0.924 20 30 CCEDLO Cn1ncc(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522952 390364156 /nfs/dbraw/zinc/36/41/56/390364156.db2.gz UISWVYUCRNFAPU-LLVKDONJSA-N 1 2 254.721 0.924 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000583679087 390304173 /nfs/dbraw/zinc/30/41/73/390304173.db2.gz NVPMUAWTNFQJRS-MCIONIFRSA-N 1 2 297.399 0.692 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)nc1 ZINC000496232851 390323442 /nfs/dbraw/zinc/32/34/42/390323442.db2.gz JEEUFBBAMKHRHF-GFCCVEGCSA-N 1 2 258.281 0.590 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)nc1 ZINC000496232851 390323443 /nfs/dbraw/zinc/32/34/43/390323443.db2.gz JEEUFBBAMKHRHF-GFCCVEGCSA-N 1 2 258.281 0.590 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)C1=O ZINC000497029649 390405668 /nfs/dbraw/zinc/40/56/68/390405668.db2.gz RUTVRDFCPQAPGJ-GFCCVEGCSA-N 1 2 296.371 0.640 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)C1=O ZINC000497029649 390405670 /nfs/dbraw/zinc/40/56/70/390405670.db2.gz RUTVRDFCPQAPGJ-GFCCVEGCSA-N 1 2 296.371 0.640 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[NH+](CCOCC)CC2)nn1 ZINC000648778102 390407134 /nfs/dbraw/zinc/40/71/34/390407134.db2.gz LOROGKBXPKULTR-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nn1 ZINC000648822124 390416441 /nfs/dbraw/zinc/41/64/41/390416441.db2.gz LFKJGHWXPOMAQS-GFCCVEGCSA-N 1 2 291.355 0.011 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000645407423 390422646 /nfs/dbraw/zinc/42/26/46/390422646.db2.gz VUSMBUCRYFPMMK-LLVKDONJSA-N 1 2 277.372 0.709 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000645407423 390422648 /nfs/dbraw/zinc/42/26/48/390422648.db2.gz VUSMBUCRYFPMMK-LLVKDONJSA-N 1 2 277.372 0.709 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000554545072 390432792 /nfs/dbraw/zinc/43/27/92/390432792.db2.gz SASSHZSVUDCEFA-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000554545072 390432794 /nfs/dbraw/zinc/43/27/94/390432794.db2.gz SASSHZSVUDCEFA-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO CC(=O)Nc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000565052091 390499410 /nfs/dbraw/zinc/49/94/10/390499410.db2.gz UYWCHBNZVXOPDY-GFCCVEGCSA-N 1 2 295.368 0.675 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)nc1 ZINC000565339780 390504160 /nfs/dbraw/zinc/50/41/60/390504160.db2.gz BDUQEDJEJMSUAU-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)nc1 ZINC000565339780 390504165 /nfs/dbraw/zinc/50/41/65/390504165.db2.gz BDUQEDJEJMSUAU-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000649180671 390509831 /nfs/dbraw/zinc/50/98/31/390509831.db2.gz KJWBTDWEYWUVCI-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000555758869 390463892 /nfs/dbraw/zinc/46/38/92/390463892.db2.gz BRNSNOFHEWGFDQ-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO C[NH+]1CCN(CCCCNc2ccnc(C#N)n2)CC1 ZINC000566478432 390619504 /nfs/dbraw/zinc/61/95/04/390619504.db2.gz GJAXJUHFIOYTRD-UHFFFAOYSA-N 1 2 274.372 0.210 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCn4nncc4C3)n2c1 ZINC000567627565 390707858 /nfs/dbraw/zinc/70/78/58/390707858.db2.gz WCJNZZUQUNRXDU-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCn4nncc4C3)n2c1 ZINC000567627565 390707859 /nfs/dbraw/zinc/70/78/59/390707859.db2.gz WCJNZZUQUNRXDU-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO CNC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000568008709 390711996 /nfs/dbraw/zinc/71/19/96/390711996.db2.gz IARCTZXHLOCVEW-ZDUSSCGKSA-N 1 2 291.351 0.631 20 30 CCEDLO CNC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568008709 390711998 /nfs/dbraw/zinc/71/19/98/390711998.db2.gz IARCTZXHLOCVEW-ZDUSSCGKSA-N 1 2 291.351 0.631 20 30 CCEDLO Cn1nnc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc21 ZINC000569990235 390717209 /nfs/dbraw/zinc/71/72/09/390717209.db2.gz ISSDPDQVCHUIIC-CQSZACIVSA-N 1 2 286.339 0.542 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528777403 390776788 /nfs/dbraw/zinc/77/67/88/390776788.db2.gz UUGCGTBGVKEKKN-TUAOUCFPSA-N 1 2 286.397 0.329 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528777403 390776790 /nfs/dbraw/zinc/77/67/90/390776790.db2.gz UUGCGTBGVKEKKN-TUAOUCFPSA-N 1 2 286.397 0.329 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCC1 ZINC000528784984 390778200 /nfs/dbraw/zinc/77/82/00/390778200.db2.gz QECRJIRUXFLUCO-JGRMJRGVSA-N 1 2 295.408 0.534 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCC1 ZINC000528784984 390778204 /nfs/dbraw/zinc/77/82/04/390778204.db2.gz QECRJIRUXFLUCO-JGRMJRGVSA-N 1 2 295.408 0.534 20 30 CCEDLO CCN1CCN(c2cnc(C#N)cn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480676 390876811 /nfs/dbraw/zinc/87/68/11/390876811.db2.gz GAVUJOCRVYIQHA-GFCCVEGCSA-N 1 2 283.339 0.955 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC000578834796 390903645 /nfs/dbraw/zinc/90/36/45/390903645.db2.gz VVSWLRSASKTYHR-UHFFFAOYSA-N 1 2 299.378 0.349 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1OC ZINC000331708990 533472465 /nfs/dbraw/zinc/47/24/65/533472465.db2.gz ZGLYNSGZYMCPTL-SCRDCRAPSA-N 1 2 281.356 0.140 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1OC ZINC000331708990 533472467 /nfs/dbraw/zinc/47/24/67/533472467.db2.gz ZGLYNSGZYMCPTL-SCRDCRAPSA-N 1 2 281.356 0.140 20 30 CCEDLO C[C@H](NC(=O)NCC(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000352826567 533629465 /nfs/dbraw/zinc/62/94/65/533629465.db2.gz KEQWSCAMEQYUME-RYUDHWBXSA-N 1 2 282.388 0.945 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368785988 144243945 /nfs/dbraw/zinc/24/39/45/144243945.db2.gz GZCDTXQCGAOOQI-CYBMUJFWSA-N 1 2 271.320 0.953 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368785988 144243947 /nfs/dbraw/zinc/24/39/47/144243947.db2.gz GZCDTXQCGAOOQI-CYBMUJFWSA-N 1 2 271.320 0.953 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000371377658 144330007 /nfs/dbraw/zinc/33/00/07/144330007.db2.gz DWXJFAGCRLUTCH-UHFFFAOYSA-N 1 2 292.408 0.873 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000371377658 144330009 /nfs/dbraw/zinc/33/00/09/144330009.db2.gz DWXJFAGCRLUTCH-UHFFFAOYSA-N 1 2 292.408 0.873 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567276690 397579019 /nfs/dbraw/zinc/57/90/19/397579019.db2.gz SBJPMPZXNGNJEY-MDZLAQPJSA-N 1 2 251.330 0.538 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000284479315 196065414 /nfs/dbraw/zinc/06/54/14/196065414.db2.gz FJBBTQFRYIXSMU-AAEUAGOBSA-N 1 2 277.299 0.772 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000284479315 196065415 /nfs/dbraw/zinc/06/54/15/196065415.db2.gz FJBBTQFRYIXSMU-AAEUAGOBSA-N 1 2 277.299 0.772 20 30 CCEDLO Cn1cc(CN2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000284506578 196071586 /nfs/dbraw/zinc/07/15/86/196071586.db2.gz YALIIRGJICHFMC-CABCVRRESA-N 1 2 274.368 0.802 20 30 CCEDLO Cn1cc(CN2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000284506578 196071587 /nfs/dbraw/zinc/07/15/87/196071587.db2.gz YALIIRGJICHFMC-CABCVRRESA-N 1 2 274.368 0.802 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000028102985 171547631 /nfs/dbraw/zinc/54/76/31/171547631.db2.gz MZLFVIUYQFANDO-NSHDSACASA-N 1 2 278.381 0.403 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCc3nn[nH]c3C2)nn1 ZINC000653636939 412327548 /nfs/dbraw/zinc/32/75/48/412327548.db2.gz XBUVYHJHFVZRBB-UHFFFAOYSA-N 1 2 259.317 0.531 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCc3nn[nH]c3C2)nn1 ZINC000653636939 412327550 /nfs/dbraw/zinc/32/75/50/412327550.db2.gz XBUVYHJHFVZRBB-UHFFFAOYSA-N 1 2 259.317 0.531 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000285664124 196358723 /nfs/dbraw/zinc/35/87/23/196358723.db2.gz MIVOOYHMSOLKEQ-YPMHNXCESA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000660641095 414421869 /nfs/dbraw/zinc/42/18/69/414421869.db2.gz WNKNMSUPPZMITH-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000660641095 414421872 /nfs/dbraw/zinc/42/18/72/414421872.db2.gz WNKNMSUPPZMITH-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000665338304 415612681 /nfs/dbraw/zinc/61/26/81/415612681.db2.gz CYDKPSADDRIWNF-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347336239 226117162 /nfs/dbraw/zinc/11/71/62/226117162.db2.gz ABZBNVQVEMRLNT-YPMHNXCESA-N 1 2 283.347 0.734 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347336239 226117166 /nfs/dbraw/zinc/11/71/66/226117166.db2.gz ABZBNVQVEMRLNT-YPMHNXCESA-N 1 2 283.347 0.734 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329017835 227259533 /nfs/dbraw/zinc/25/95/33/227259533.db2.gz GWDALQQUCINGDW-AGIUHOORSA-N 1 2 295.383 0.817 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329017835 227259536 /nfs/dbraw/zinc/25/95/36/227259536.db2.gz GWDALQQUCINGDW-AGIUHOORSA-N 1 2 295.383 0.817 20 30 CCEDLO [O-]C(=[NH+]C[C@H]1COCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329165790 227334165 /nfs/dbraw/zinc/33/41/65/227334165.db2.gz HKXIZVZONWHLNX-ZDUSSCGKSA-N 1 2 294.355 0.849 20 30 CCEDLO O=C(NC[C@H]1COCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329165790 227334170 /nfs/dbraw/zinc/33/41/70/227334170.db2.gz HKXIZVZONWHLNX-ZDUSSCGKSA-N 1 2 294.355 0.849 20 30 CCEDLO C[C@@]1(CNC(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000329395644 227490190 /nfs/dbraw/zinc/49/01/90/227490190.db2.gz VQUXUZVMIBQDMD-ZDUSSCGKSA-N 1 2 271.361 0.249 20 30 CCEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329999427 228011959 /nfs/dbraw/zinc/01/19/59/228011959.db2.gz UTGYXDCJZUBDFJ-DCQANWLSSA-N 1 2 276.340 0.594 20 30 CCEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329999427 228011961 /nfs/dbraw/zinc/01/19/61/228011961.db2.gz UTGYXDCJZUBDFJ-DCQANWLSSA-N 1 2 276.340 0.594 20 30 CCEDLO [O-]C(N[C@H]1[C@@H]2COC[C@@H]21)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329999427 228011963 /nfs/dbraw/zinc/01/19/63/228011963.db2.gz UTGYXDCJZUBDFJ-DCQANWLSSA-N 1 2 276.340 0.594 20 30 CCEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000331611295 228114096 /nfs/dbraw/zinc/11/40/96/228114096.db2.gz FDPYECZMOVJGTN-NEPJUHHUSA-N 1 2 278.356 0.007 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000331840395 228131633 /nfs/dbraw/zinc/13/16/33/228131633.db2.gz KPFPLUOMHOBOPT-GXTWGEPZSA-N 1 2 297.424 0.595 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000331840395 228131635 /nfs/dbraw/zinc/13/16/35/228131635.db2.gz KPFPLUOMHOBOPT-GXTWGEPZSA-N 1 2 297.424 0.595 20 30 CCEDLO N#C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC12CCCC2 ZINC000333063203 228189177 /nfs/dbraw/zinc/18/91/77/228189177.db2.gz BIDMBCOIPHSRCJ-OAHLLOKOSA-N 1 2 277.368 0.909 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCOCC1 ZINC000328772862 545019066 /nfs/dbraw/zinc/01/90/66/545019066.db2.gz BJJDHEYOLLBWRR-LLVKDONJSA-N 1 2 271.361 0.390 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCOC1 ZINC000329407300 545022920 /nfs/dbraw/zinc/02/29/20/545022920.db2.gz CFIFLTXBOKYRCJ-ZFWWWQNUSA-N 1 2 298.431 0.695 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCOC1 ZINC000329407300 545022921 /nfs/dbraw/zinc/02/29/21/545022921.db2.gz CFIFLTXBOKYRCJ-ZFWWWQNUSA-N 1 2 298.431 0.695 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000329622526 545024672 /nfs/dbraw/zinc/02/46/72/545024672.db2.gz RTMIEOLKYPEJPM-JTQLQIEISA-N 1 2 279.344 0.832 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000332484774 260012396 /nfs/dbraw/zinc/01/23/96/260012396.db2.gz PFHHOXPOSFIHRH-MNOVXSKESA-N 1 2 268.361 0.948 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000332484774 260012397 /nfs/dbraw/zinc/01/23/97/260012397.db2.gz PFHHOXPOSFIHRH-MNOVXSKESA-N 1 2 268.361 0.948 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000407978343 260141749 /nfs/dbraw/zinc/14/17/49/260141749.db2.gz YWFHVVVVNPQDNQ-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO Cc1n[nH]cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000070983618 260159346 /nfs/dbraw/zinc/15/93/46/260159346.db2.gz BOPCWVCAXXOGQB-UHFFFAOYSA-N 1 2 291.355 0.406 20 30 CCEDLO C[C@@H](C(=O)N1CCOC[C@H]1C#N)[NH+]1CCSCC1 ZINC000408032600 260186368 /nfs/dbraw/zinc/18/63/68/260186368.db2.gz ZILHWZKZHCWZNW-WDEREUQCSA-N 1 2 269.370 0.175 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc[nH]c1 ZINC000068324962 260255878 /nfs/dbraw/zinc/25/58/78/260255878.db2.gz NIYFHSGNUXQLMW-UHFFFAOYSA-N 1 2 276.340 0.703 20 30 CCEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N2CCOCC2)cc1F ZINC000077383607 260296454 /nfs/dbraw/zinc/29/64/54/260296454.db2.gz GWWHKLNCTVEDPT-UHFFFAOYSA-N 1 2 295.314 0.630 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=COCCC1 ZINC000107580151 260636958 /nfs/dbraw/zinc/63/69/58/260636958.db2.gz DDSJKCLIJPBSJU-UHFFFAOYSA-N 1 2 293.367 0.755 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](CCO)Cc1cccnc1 ZINC000156779200 261132367 /nfs/dbraw/zinc/13/23/67/261132367.db2.gz TYRFNRZYXJHDIK-CYBMUJFWSA-N 1 2 290.367 0.636 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](CCO)Cc1cccnc1 ZINC000156779200 261132369 /nfs/dbraw/zinc/13/23/69/261132369.db2.gz TYRFNRZYXJHDIK-CYBMUJFWSA-N 1 2 290.367 0.636 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000249056698 261239344 /nfs/dbraw/zinc/23/93/44/261239344.db2.gz MZJHRYQRHVQYLF-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249056698 261239345 /nfs/dbraw/zinc/23/93/45/261239345.db2.gz MZJHRYQRHVQYLF-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249240669 261248190 /nfs/dbraw/zinc/24/81/90/261248190.db2.gz QDJKZQHUBOSCMK-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249240669 261248192 /nfs/dbraw/zinc/24/81/92/261248192.db2.gz QDJKZQHUBOSCMK-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC000490964042 261268594 /nfs/dbraw/zinc/26/85/94/261268594.db2.gz YMYYECGDICXJPR-QWHCGFSZSA-N 1 2 267.373 0.664 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177182784 261337515 /nfs/dbraw/zinc/33/75/15/261337515.db2.gz RBRMNNZBPWAEHA-LLVKDONJSA-N 1 2 287.319 0.489 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177182784 261337516 /nfs/dbraw/zinc/33/75/16/261337516.db2.gz RBRMNNZBPWAEHA-LLVKDONJSA-N 1 2 287.319 0.489 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(C#N)CCOCC1 ZINC000109143212 261391113 /nfs/dbraw/zinc/39/11/13/261391113.db2.gz NKNUAPPDWDYTRX-UHFFFAOYSA-N 1 2 281.356 0.097 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000188938588 262164666 /nfs/dbraw/zinc/16/46/66/262164666.db2.gz GPTMQLMDMPCDAJ-ZIAGYGMSSA-N 1 2 293.367 0.381 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000188938588 262164667 /nfs/dbraw/zinc/16/46/67/262164667.db2.gz GPTMQLMDMPCDAJ-ZIAGYGMSSA-N 1 2 293.367 0.381 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057906100 262350729 /nfs/dbraw/zinc/35/07/29/262350729.db2.gz YEEOUUVJUAXQOS-SNVBAGLBSA-N 1 2 266.345 0.845 20 30 CCEDLO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000274343370 263023426 /nfs/dbraw/zinc/02/34/26/263023426.db2.gz ITYJMESRKMJKFW-JTQLQIEISA-N 1 2 295.339 0.544 20 30 CCEDLO COc1ccc(NC(=O)CO[NH+]=C(N)CCO)c(OC)c1 ZINC000275429712 263033284 /nfs/dbraw/zinc/03/32/84/263033284.db2.gz FYCBEGQKVKHBNT-UHFFFAOYSA-N 1 2 297.311 0.314 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249589 263067645 /nfs/dbraw/zinc/06/76/45/263067645.db2.gz GSAKDHDGEILGLY-STQMWFEESA-N 1 2 281.400 0.960 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249589 263067646 /nfs/dbraw/zinc/06/76/46/263067646.db2.gz GSAKDHDGEILGLY-STQMWFEESA-N 1 2 281.400 0.960 20 30 CCEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)ccc1F ZINC000282202366 263075007 /nfs/dbraw/zinc/07/50/07/263075007.db2.gz IFXXTTTYNRNJTF-VIFPVBQESA-N 1 2 267.260 0.879 20 30 CCEDLO Cc1ccc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)cc1F ZINC000282204307 263075075 /nfs/dbraw/zinc/07/50/75/263075075.db2.gz IOGNYWPSFPFQNW-VIFPVBQESA-N 1 2 267.260 0.879 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340292273 263105619 /nfs/dbraw/zinc/10/56/19/263105619.db2.gz SVARSGNJVXEWDW-PMPSAXMXSA-N 1 2 287.363 0.629 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366663754 263111071 /nfs/dbraw/zinc/11/10/71/263111071.db2.gz NCHQQGNSNBAALG-GFCCVEGCSA-N 1 2 274.386 0.299 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000341427561 263337229 /nfs/dbraw/zinc/33/72/29/263337229.db2.gz BNPOIEJDVBLCCU-LBPRGKRZSA-N 1 2 291.351 0.938 20 30 CCEDLO CCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000342015534 263378780 /nfs/dbraw/zinc/37/87/80/263378780.db2.gz KXGMVUJETJUADS-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341987394 263381180 /nfs/dbraw/zinc/38/11/80/263381180.db2.gz GSOBRDLBXZQCPR-LLVKDONJSA-N 1 2 296.371 0.473 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330769717 264033709 /nfs/dbraw/zinc/03/37/09/264033709.db2.gz AJSFKRITZKGPSD-SNVBAGLBSA-N 1 2 277.328 0.303 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330769716 264033915 /nfs/dbraw/zinc/03/39/15/264033915.db2.gz AJSFKRITZKGPSD-JTQLQIEISA-N 1 2 277.328 0.303 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000330940706 264083490 /nfs/dbraw/zinc/08/34/90/264083490.db2.gz DZTAIJQJNRWFPS-GHMZBOCLSA-N 1 2 270.377 0.355 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000330940706 264083491 /nfs/dbraw/zinc/08/34/91/264083491.db2.gz DZTAIJQJNRWFPS-GHMZBOCLSA-N 1 2 270.377 0.355 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331185001 264156082 /nfs/dbraw/zinc/15/60/82/264156082.db2.gz OFIMJBUUKRZTSK-RDBSUJKOSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331185001 264156084 /nfs/dbraw/zinc/15/60/84/264156084.db2.gz OFIMJBUUKRZTSK-RDBSUJKOSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331185001 264156085 /nfs/dbraw/zinc/15/60/85/264156085.db2.gz OFIMJBUUKRZTSK-RDBSUJKOSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331185001 264156087 /nfs/dbraw/zinc/15/60/87/264156087.db2.gz OFIMJBUUKRZTSK-RDBSUJKOSA-N 1 2 294.399 0.009 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131792848 264382000 /nfs/dbraw/zinc/38/20/00/264382000.db2.gz CHXXXTFZXOBSGF-NWDGAFQWSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131792848 264382002 /nfs/dbraw/zinc/38/20/02/264382002.db2.gz CHXXXTFZXOBSGF-NWDGAFQWSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000281138570 264467110 /nfs/dbraw/zinc/46/71/10/264467110.db2.gz AIPWATWASYZOPR-BDAKNGLRSA-N 1 2 266.263 0.628 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000281138570 264467111 /nfs/dbraw/zinc/46/71/11/264467111.db2.gz AIPWATWASYZOPR-BDAKNGLRSA-N 1 2 266.263 0.628 20 30 CCEDLO Cc1ccnc2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn21 ZINC000514605575 266016875 /nfs/dbraw/zinc/01/68/75/266016875.db2.gz MCLQKYICYYRQRP-ZDUSSCGKSA-N 1 2 287.327 0.006 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000357491489 266308461 /nfs/dbraw/zinc/30/84/61/266308461.db2.gz JDMPZPZUACKTTR-UHFFFAOYSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000357491489 266308463 /nfs/dbraw/zinc/30/84/63/266308463.db2.gz JDMPZPZUACKTTR-UHFFFAOYSA-N 1 2 267.373 0.620 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357807356 266369605 /nfs/dbraw/zinc/36/96/05/266369605.db2.gz LPEMOLZRZOISPY-RYUDHWBXSA-N 1 2 273.340 0.669 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357807356 266369610 /nfs/dbraw/zinc/36/96/10/266369610.db2.gz LPEMOLZRZOISPY-RYUDHWBXSA-N 1 2 273.340 0.669 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000357816191 266371132 /nfs/dbraw/zinc/37/11/32/266371132.db2.gz AMSDBPCARBWQJW-AAEUAGOBSA-N 1 2 283.397 0.470 20 30 CCEDLO C=C(CC)C[N@@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000358626822 266482908 /nfs/dbraw/zinc/48/29/08/266482908.db2.gz SJBMXWBEJVLXNF-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(CC)C[N@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000358626822 266482911 /nfs/dbraw/zinc/48/29/11/266482911.db2.gz SJBMXWBEJVLXNF-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3C#N)C1 ZINC000408467812 277126689 /nfs/dbraw/zinc/12/66/89/277126689.db2.gz MFBLCGZLLYNUSH-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3C#N)C1 ZINC000408467812 277126690 /nfs/dbraw/zinc/12/66/90/277126690.db2.gz MFBLCGZLLYNUSH-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000225803438 288070904 /nfs/dbraw/zinc/07/09/04/288070904.db2.gz APSBADCXXVTGTR-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000225803438 288070906 /nfs/dbraw/zinc/07/09/06/288070906.db2.gz APSBADCXXVTGTR-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO Cc1nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000291842224 293289784 /nfs/dbraw/zinc/28/97/84/293289784.db2.gz GVTHMASFZAQFKF-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO Cc1nc(N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000291842218 293290403 /nfs/dbraw/zinc/29/04/03/293290403.db2.gz GVTHMASFZAQFKF-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCOCC1 ZINC000330285327 295387913 /nfs/dbraw/zinc/38/79/13/295387913.db2.gz YSOZZEUBJANVJG-NSHDSACASA-N 1 2 264.329 0.834 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338180116 327969569 /nfs/dbraw/zinc/96/95/69/327969569.db2.gz UICKPLXACULJJF-LBPRGKRZSA-N 1 2 270.373 0.398 20 30 CCEDLO Cc1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c[nH]1 ZINC000267177513 328174284 /nfs/dbraw/zinc/17/42/84/328174284.db2.gz NEJFHYQKBSVYNK-UHFFFAOYSA-N 1 2 291.355 0.406 20 30 CCEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000571646478 328190789 /nfs/dbraw/zinc/19/07/89/328190789.db2.gz QMLRQKKQCGADAL-CQSZACIVSA-N 1 2 260.341 0.893 20 30 CCEDLO N#CCCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000273080478 328203439 /nfs/dbraw/zinc/20/34/39/328203439.db2.gz CWWCHUZENMUPMY-UHFFFAOYSA-N 1 2 287.367 0.624 20 30 CCEDLO CN(CCO)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330596408 328465132 /nfs/dbraw/zinc/46/51/32/328465132.db2.gz VKNHADBOXTUXDI-UHFFFAOYSA-N 1 2 266.345 0.600 20 30 CCEDLO CC(C)[C@H](NC(=O)NCc1[nH+]ccn1C)C(N)=O ZINC000331015191 328473897 /nfs/dbraw/zinc/47/38/97/328473897.db2.gz XLQIYGSEXHOLSG-VIFPVBQESA-N 1 2 253.306 0.984 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000111181563 327277349 /nfs/dbraw/zinc/27/73/49/327277349.db2.gz CDDSXCNUUKOGSE-UHFFFAOYSA-N 1 2 294.311 0.716 20 30 CCEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000160051317 327589477 /nfs/dbraw/zinc/58/94/77/327589477.db2.gz OXURQJPZFFFDMN-GFCCVEGCSA-N 1 2 285.413 0.812 20 30 CCEDLO N#CCNC(=O)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000358316925 328881721 /nfs/dbraw/zinc/88/17/21/328881721.db2.gz SVMCVGIBRLZZIR-SNVBAGLBSA-N 1 2 290.327 0.286 20 30 CCEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)CC1(C#N)CC1 ZINC000180405284 329216225 /nfs/dbraw/zinc/21/62/25/329216225.db2.gz IDBZPZLVXBRMKG-UHFFFAOYSA-N 1 2 294.380 0.871 20 30 CCEDLO C[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187353137 329355508 /nfs/dbraw/zinc/35/55/08/329355508.db2.gz JRQHXSHHPHNDEC-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187353137 329355509 /nfs/dbraw/zinc/35/55/09/329355509.db2.gz JRQHXSHHPHNDEC-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189306542 329379844 /nfs/dbraw/zinc/37/98/44/329379844.db2.gz FWHQJAHJXIVMFA-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189306542 329379845 /nfs/dbraw/zinc/37/98/45/329379845.db2.gz FWHQJAHJXIVMFA-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(F)(F)F ZINC000572012323 329937046 /nfs/dbraw/zinc/93/70/46/329937046.db2.gz OEPSPXHAAYEALQ-JTQLQIEISA-N 1 2 279.262 0.358 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000424067707 330219585 /nfs/dbraw/zinc/21/95/85/330219585.db2.gz WYUBZFZKSHKUQY-NSHDSACASA-N 1 2 289.343 0.549 20 30 CCEDLO CCOC(=O)C1CCC(O)(C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000424130978 330262287 /nfs/dbraw/zinc/26/22/87/330262287.db2.gz FYORCRBCHONTSC-UHFFFAOYSA-N 1 2 296.367 0.431 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000424138307 330276433 /nfs/dbraw/zinc/27/64/33/330276433.db2.gz PYOCJGXYHPKLAD-AWEZNQCLSA-N 1 2 276.336 0.524 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000424207647 330327851 /nfs/dbraw/zinc/32/78/51/330327851.db2.gz JETWMMHVLWGABV-GUBZILKMSA-N 1 2 260.284 0.691 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000458310378 331248120 /nfs/dbraw/zinc/24/81/20/331248120.db2.gz UUKIGKAKQKLVQV-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000458310378 331248121 /nfs/dbraw/zinc/24/81/21/331248121.db2.gz UUKIGKAKQKLVQV-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458796886 331260031 /nfs/dbraw/zinc/26/00/31/331260031.db2.gz OLBTWSOIFIPBEG-GXTWGEPZSA-N 1 2 297.399 0.476 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458796886 331260032 /nfs/dbraw/zinc/26/00/32/331260032.db2.gz OLBTWSOIFIPBEG-GXTWGEPZSA-N 1 2 297.399 0.476 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000459371090 331278712 /nfs/dbraw/zinc/27/87/12/331278712.db2.gz IDULZSOVCNGUFE-NXEZZACHSA-N 1 2 264.329 0.551 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000459371090 331278713 /nfs/dbraw/zinc/27/87/13/331278713.db2.gz IDULZSOVCNGUFE-NXEZZACHSA-N 1 2 264.329 0.551 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000489479700 332055196 /nfs/dbraw/zinc/05/51/96/332055196.db2.gz RHOCLRJQDXYRHJ-ZDUSSCGKSA-N 1 2 290.429 0.840 20 30 CCEDLO C#CC[N@@H+](C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000490715374 332103519 /nfs/dbraw/zinc/10/35/19/332103519.db2.gz WOHHXQYXIQSTMP-VXGBXAGGSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[N@H+](C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000490715374 332103520 /nfs/dbraw/zinc/10/35/20/332103520.db2.gz WOHHXQYXIQSTMP-VXGBXAGGSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)[C@H](C)O)CC1 ZINC000490800000 332116327 /nfs/dbraw/zinc/11/63/27/332116327.db2.gz KRHXMWMHJDOWHP-RYUDHWBXSA-N 1 2 270.398 0.266 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000490715225 332107999 /nfs/dbraw/zinc/10/79/99/332107999.db2.gz VIYGCMRXFZKUPH-UHFFFAOYSA-N 1 2 299.318 0.070 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)C(=O)OC)CC1 ZINC000491047228 332143178 /nfs/dbraw/zinc/14/31/78/332143178.db2.gz UDNCNLLTEYARDZ-LLVKDONJSA-N 1 2 284.381 0.059 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2C)CC1 ZINC000491145744 332156123 /nfs/dbraw/zinc/15/61/23/332156123.db2.gz LXHZTHVFCNSFFA-UHFFFAOYSA-N 1 2 271.324 0.830 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000491146919 332156380 /nfs/dbraw/zinc/15/63/80/332156380.db2.gz PNUFDKDVKFSQRI-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000491146919 332156381 /nfs/dbraw/zinc/15/63/81/332156381.db2.gz PNUFDKDVKFSQRI-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]2C(F)F)CC1 ZINC000491209540 332166198 /nfs/dbraw/zinc/16/61/98/332166198.db2.gz IOLVRTHLLWXBGW-GFCCVEGCSA-N 1 2 285.338 0.493 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491275366 332178777 /nfs/dbraw/zinc/17/87/77/332178777.db2.gz DGTSGJBTGPBHSF-YNEHKIRRSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000491326057 332190154 /nfs/dbraw/zinc/19/01/54/332190154.db2.gz JLWJNYNTFLLJGM-LBPRGKRZSA-N 1 2 258.321 0.939 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000491326057 332190156 /nfs/dbraw/zinc/19/01/56/332190156.db2.gz JLWJNYNTFLLJGM-LBPRGKRZSA-N 1 2 258.321 0.939 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000491619663 332245806 /nfs/dbraw/zinc/24/58/06/332245806.db2.gz BJDVCQRONHKZIT-HZPDHXFCSA-N 1 2 287.407 0.842 20 30 CCEDLO C#C[C@@H]1COCCN1CCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491643223 332262270 /nfs/dbraw/zinc/26/22/70/332262270.db2.gz ZWHXNZAKCTYZLW-GASCZTMLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H]1COCCN1CCC[N@H+]1CCOC[C@@H]1C#C ZINC000491643223 332262271 /nfs/dbraw/zinc/26/22/71/332262271.db2.gz ZWHXNZAKCTYZLW-GASCZTMLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCN1CCOC[C@@H]1C#C ZINC000491643223 332262272 /nfs/dbraw/zinc/26/22/72/332262272.db2.gz ZWHXNZAKCTYZLW-GASCZTMLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCN1CCOC[C@@H]1C#C ZINC000491643223 332262273 /nfs/dbraw/zinc/26/22/73/332262273.db2.gz ZWHXNZAKCTYZLW-GASCZTMLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000491658659 332269597 /nfs/dbraw/zinc/26/95/97/332269597.db2.gz AXYCHBIIYDLVMG-DGCLKSJQSA-N 1 2 288.351 0.249 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000491658659 332269598 /nfs/dbraw/zinc/26/95/98/332269598.db2.gz AXYCHBIIYDLVMG-DGCLKSJQSA-N 1 2 288.351 0.249 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000491678663 332283102 /nfs/dbraw/zinc/28/31/02/332283102.db2.gz BWQNGFHXLIQTMX-LSDHHAIUSA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000491678663 332283103 /nfs/dbraw/zinc/28/31/03/332283103.db2.gz BWQNGFHXLIQTMX-LSDHHAIUSA-N 1 2 286.331 0.632 20 30 CCEDLO C#CC[N@@H+](C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491708475 332300726 /nfs/dbraw/zinc/30/07/26/332300726.db2.gz NDLHVXQVWGXYNT-VXGBXAGGSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@H+](C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491708475 332300727 /nfs/dbraw/zinc/30/07/27/332300727.db2.gz NDLHVXQVWGXYNT-VXGBXAGGSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000491729086 332311553 /nfs/dbraw/zinc/31/15/53/332311553.db2.gz MSLRUHIDFWXUPS-PGLGOXFNSA-N 1 2 293.348 0.072 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000491737227 332317358 /nfs/dbraw/zinc/31/73/58/332317358.db2.gz BIJUHLXJZXFVPT-GFCCVEGCSA-N 1 2 290.342 0.481 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000575759198 335112723 /nfs/dbraw/zinc/11/27/23/335112723.db2.gz LYLWIAGMDULECX-CYBMUJFWSA-N 1 2 279.727 0.946 20 30 CCEDLO NC(=O)[C@@]1([NH2+]CC#Cc2ccccc2Cl)CCOC1 ZINC000575759960 335112983 /nfs/dbraw/zinc/11/29/83/335112983.db2.gz YFMBBAHZYQPLAY-CQSZACIVSA-N 1 2 278.739 0.926 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000580538692 335128182 /nfs/dbraw/zinc/12/81/82/335128182.db2.gz MKUKLNKISKZVQX-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000192233249 333233167 /nfs/dbraw/zinc/23/31/67/333233167.db2.gz REPKTMBBBGOPHJ-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000192233249 333233169 /nfs/dbraw/zinc/23/31/69/333233169.db2.gz REPKTMBBBGOPHJ-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000539432008 333671037 /nfs/dbraw/zinc/67/10/37/333671037.db2.gz JXMNQEBMIRDYJY-ZJUUUORDSA-N 1 2 260.297 0.581 20 30 CCEDLO C=C(C)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000548294973 334149027 /nfs/dbraw/zinc/14/90/27/334149027.db2.gz XYDKHOZAPORCAO-UHFFFAOYSA-N 1 2 262.375 0.204 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249550469 334336395 /nfs/dbraw/zinc/33/63/95/334336395.db2.gz HURHRFOSBQMSLR-TYNCELHUSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249550469 334336396 /nfs/dbraw/zinc/33/63/96/334336396.db2.gz HURHRFOSBQMSLR-TYNCELHUSA-N 1 2 294.399 0.627 20 30 CCEDLO COCc1ncsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565662423 334585685 /nfs/dbraw/zinc/58/56/85/334585685.db2.gz WZYYNSOBEZFNNY-GFCCVEGCSA-N 1 2 282.369 0.863 20 30 CCEDLO NC(=O)[C@@]1([NH2+]CC#Cc2ccc(Cl)cc2)CCOC1 ZINC000566745565 334662919 /nfs/dbraw/zinc/66/29/19/334662919.db2.gz CANWJZUTOXZVBW-CQSZACIVSA-N 1 2 278.739 0.926 20 30 CCEDLO CC[C@@H]1CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000567052783 334676968 /nfs/dbraw/zinc/67/69/68/334676968.db2.gz JKSKVGWKZQBJPZ-NTZNESFSSA-N 1 2 253.346 0.904 20 30 CCEDLO CN(C)c1nc(N)nc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000567791637 334761508 /nfs/dbraw/zinc/76/15/08/334761508.db2.gz YIYOERRCRACPPP-UHFFFAOYSA-N 1 2 289.387 0.866 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H]2CCO[C@H]2C)CC1 ZINC000163789850 334872706 /nfs/dbraw/zinc/87/27/06/334872706.db2.gz CDHDHOMXEZVCJY-STQMWFEESA-N 1 2 282.409 0.674 20 30 CCEDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577283260 335335165 /nfs/dbraw/zinc/33/51/65/335335165.db2.gz QRQGNMDFUUVYND-LBPRGKRZSA-N 1 2 279.300 0.507 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(CC2CC2)nn1 ZINC000578017281 335461350 /nfs/dbraw/zinc/46/13/50/335461350.db2.gz XEZUVPZSZFRXTA-CYBMUJFWSA-N 1 2 276.344 0.262 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182790329 335842980 /nfs/dbraw/zinc/84/29/80/335842980.db2.gz QVHJURABJLFSAS-GFCCVEGCSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(CC)CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000459069622 545098104 /nfs/dbraw/zinc/09/81/04/545098104.db2.gz FBEVIYOTDGGJJE-UHFFFAOYSA-N 1 2 285.388 0.289 20 30 CCEDLO N#CCC1(O)CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331529159 534593427 /nfs/dbraw/zinc/59/34/27/534593427.db2.gz MXUHVNXHVDAWBL-UHFFFAOYSA-N 1 2 274.246 0.906 20 30 CCEDLO C=C(C)CC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000352023782 526440706 /nfs/dbraw/zinc/44/07/06/526440706.db2.gz ALWUWJWYXJGMOS-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=C(C)CC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000352023782 526440713 /nfs/dbraw/zinc/44/07/13/526440713.db2.gz ALWUWJWYXJGMOS-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=C(C)CCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000352023782 526440717 /nfs/dbraw/zinc/44/07/17/526440717.db2.gz ALWUWJWYXJGMOS-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000665941971 545110194 /nfs/dbraw/zinc/11/01/94/545110194.db2.gz AMSXCVZRDJKESA-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000346990983 526513333 /nfs/dbraw/zinc/51/33/33/526513333.db2.gz WTCHBEWUJGTKEG-GFCCVEGCSA-N 1 2 290.367 0.739 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352639039 526565018 /nfs/dbraw/zinc/56/50/18/526565018.db2.gz XEVYBIASILNZDO-UHFFFAOYSA-N 1 2 285.307 0.299 20 30 CCEDLO C=CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000350830763 526639337 /nfs/dbraw/zinc/63/93/37/526639337.db2.gz LNLASQXCXSMGDX-UHFFFAOYSA-N 1 2 261.325 0.830 20 30 CCEDLO COC(C[NH+]1CCN(c2ncccc2C#N)CC1)OC ZINC000136721531 536506629 /nfs/dbraw/zinc/50/66/29/536506629.db2.gz DFPXZSGFZIHXNE-UHFFFAOYSA-N 1 2 276.340 0.694 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)Nc1nccc(C#N)n1 ZINC000308665166 527089930 /nfs/dbraw/zinc/08/99/30/527089930.db2.gz TVIWXFGXNYGZGI-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C=C[C@](C)(O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000668187488 545166450 /nfs/dbraw/zinc/16/64/50/545166450.db2.gz HQKURFOYZZSKCU-AWEZNQCLSA-N 1 2 294.355 0.091 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333213375 527505298 /nfs/dbraw/zinc/50/52/98/527505298.db2.gz UKLAXKOVJFJYEZ-VOAKCMCISA-N 1 2 281.356 0.054 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333213375 527505308 /nfs/dbraw/zinc/50/53/08/527505308.db2.gz UKLAXKOVJFJYEZ-VOAKCMCISA-N 1 2 281.356 0.054 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668812797 545191478 /nfs/dbraw/zinc/19/14/78/545191478.db2.gz VHSYGVVSTJMIMR-GFCCVEGCSA-N 1 2 290.367 0.851 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000668995158 545197112 /nfs/dbraw/zinc/19/71/12/545197112.db2.gz IQBDMEUKADJVMW-LLVKDONJSA-N 1 2 250.302 0.497 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000668995158 545197113 /nfs/dbraw/zinc/19/71/13/545197113.db2.gz IQBDMEUKADJVMW-LLVKDONJSA-N 1 2 250.302 0.497 20 30 CCEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330053083 528218640 /nfs/dbraw/zinc/21/86/40/528218640.db2.gz PZCKYZIBJPZALP-MRVPVSSYSA-N 1 2 253.306 0.841 20 30 CCEDLO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330053083 528218642 /nfs/dbraw/zinc/21/86/42/528218642.db2.gz PZCKYZIBJPZALP-MRVPVSSYSA-N 1 2 253.306 0.841 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796529 528647636 /nfs/dbraw/zinc/64/76/36/528647636.db2.gz WECPQPZFGRYGQG-UWVGGRQHSA-N 1 2 266.345 0.845 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796529 528647631 /nfs/dbraw/zinc/64/76/31/528647631.db2.gz WECPQPZFGRYGQG-UWVGGRQHSA-N 1 2 266.345 0.845 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000332708412 528693706 /nfs/dbraw/zinc/69/37/06/528693706.db2.gz OCZRYRQWDRFNNZ-KGLIPLIRSA-N 1 2 294.399 0.011 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000332708412 528693707 /nfs/dbraw/zinc/69/37/07/528693707.db2.gz OCZRYRQWDRFNNZ-KGLIPLIRSA-N 1 2 294.399 0.011 20 30 CCEDLO COCC#CC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477815 545366232 /nfs/dbraw/zinc/36/62/32/545366232.db2.gz ZJTXZLZOKSBRBN-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO COCC#CC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477815 545366233 /nfs/dbraw/zinc/36/62/33/545366233.db2.gz ZJTXZLZOKSBRBN-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO COCC#CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000677819353 545373363 /nfs/dbraw/zinc/37/33/63/545373363.db2.gz ZAQDSNVWLAJJQP-GFCCVEGCSA-N 1 2 257.355 0.288 20 30 CCEDLO COCC#CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000677819353 545373364 /nfs/dbraw/zinc/37/33/64/545373364.db2.gz ZAQDSNVWLAJJQP-GFCCVEGCSA-N 1 2 257.355 0.288 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000682220494 545475798 /nfs/dbraw/zinc/47/57/98/545475798.db2.gz QHSWEJKPEDAQIV-STQMWFEESA-N 1 2 251.326 0.706 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000682220494 545475799 /nfs/dbraw/zinc/47/57/99/545475799.db2.gz QHSWEJKPEDAQIV-STQMWFEESA-N 1 2 251.326 0.706 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000683003703 545494583 /nfs/dbraw/zinc/49/45/83/545494583.db2.gz RZLGIPUBRNYWAT-UHFFFAOYSA-N 1 2 285.391 0.744 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000683839864 545570584 /nfs/dbraw/zinc/57/05/84/545570584.db2.gz PFHSFWHMQVQRCI-BFHYXJOUSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000683839864 545570585 /nfs/dbraw/zinc/57/05/85/545570585.db2.gz PFHSFWHMQVQRCI-BFHYXJOUSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(-n3cc[nH+]c3)ncn2)C1=O ZINC000684895028 545759354 /nfs/dbraw/zinc/75/93/54/545759354.db2.gz WQGWWSIHBGELKP-GFCCVEGCSA-N 1 2 298.350 0.885 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)OC(C)=O)CC1 ZINC000779779959 581204372 /nfs/dbraw/zinc/20/43/72/581204372.db2.gz NWXYQLLEPPHNMB-UHFFFAOYSA-N 1 2 252.314 0.106 20 30 CCEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc([N+](=O)[O-])ccc1O ZINC000779794194 581205649 /nfs/dbraw/zinc/20/56/49/581205649.db2.gz DLWCPLFDWHLFDC-ZETCQYMHSA-N 1 2 277.284 0.962 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000779915414 581213202 /nfs/dbraw/zinc/21/32/02/581213202.db2.gz ROQHQSHSDPCSRW-GFCCVEGCSA-N 1 2 288.351 0.305 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCOC(C)(C)C1 ZINC000780251241 581223851 /nfs/dbraw/zinc/22/38/51/581223851.db2.gz ARYNMPSYPPPJQE-VIFPVBQESA-N 1 2 279.344 0.949 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781559144 581272062 /nfs/dbraw/zinc/27/20/62/581272062.db2.gz FAZPQZUGJXEXBX-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781559144 581272063 /nfs/dbraw/zinc/27/20/63/581272063.db2.gz FAZPQZUGJXEXBX-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCn1nnn(CN2CCn3cc(C)[nH+]c3C2)c1=S ZINC000782280271 581295757 /nfs/dbraw/zinc/29/57/57/581295757.db2.gz OCEUJFAYBKNEOF-UHFFFAOYSA-N 1 2 291.384 0.973 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(C=C)CCOC)CC1 ZINC000783625047 581353780 /nfs/dbraw/zinc/35/37/80/581353780.db2.gz KCFLYUBGEVLILD-HNNXBMFYSA-N 1 2 264.369 0.993 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000794831089 581389284 /nfs/dbraw/zinc/38/92/84/581389284.db2.gz CAKNWQOGOMPSQW-CYBMUJFWSA-N 1 2 299.334 0.436 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000794831089 581389286 /nfs/dbraw/zinc/38/92/86/581389286.db2.gz CAKNWQOGOMPSQW-CYBMUJFWSA-N 1 2 299.334 0.436 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)NCCCC#N)c(N(C)C)[nH+]1 ZINC000784865221 581396764 /nfs/dbraw/zinc/39/67/64/581396764.db2.gz XURMYYUUCUMGEP-UHFFFAOYSA-N 1 2 289.339 0.815 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1=O ZINC000795631687 581416404 /nfs/dbraw/zinc/41/64/04/581416404.db2.gz MINUWTOGAQAMPC-HNNXBMFYSA-N 1 2 289.335 0.559 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1=O ZINC000795631687 581416406 /nfs/dbraw/zinc/41/64/06/581416406.db2.gz MINUWTOGAQAMPC-HNNXBMFYSA-N 1 2 289.335 0.559 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000796636929 581446720 /nfs/dbraw/zinc/44/67/20/581446720.db2.gz DBKJEUIGSSWFTA-QMMMGPOBSA-N 1 2 253.252 0.760 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000786972317 581454768 /nfs/dbraw/zinc/45/47/68/581454768.db2.gz KGVUEFGCCGQFRQ-CYBMUJFWSA-N 1 2 272.352 0.223 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C#C)nc2)CC1 ZINC000728982911 581526652 /nfs/dbraw/zinc/52/66/52/581526652.db2.gz XQPNLJPDXKKYOA-UHFFFAOYSA-N 1 2 253.305 0.454 20 30 CCEDLO COCCCNC(=S)NN=Cc1[nH+]c[nH]c1C ZINC000755523553 581542738 /nfs/dbraw/zinc/54/27/38/581542738.db2.gz HKGYPTQICAOGKG-UHFFFAOYSA-N 1 2 255.347 0.553 20 30 CCEDLO C[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000729140486 581553942 /nfs/dbraw/zinc/55/39/42/581553942.db2.gz ITUPUNVMRKKYAL-NSHDSACASA-N 1 2 284.429 0.959 20 30 CCEDLO CC(C)[N@H+]1CC(=NNCCS(C)(=O)=O)[C@H](C)C1 ZINC000754260964 581583719 /nfs/dbraw/zinc/58/37/19/581583719.db2.gz SZKJRNNVFDIQQS-SNVBAGLBSA-N 1 2 261.391 0.337 20 30 CCEDLO CC(C)[N@@H+]1CC(=NNCCS(C)(=O)=O)[C@H](C)C1 ZINC000754260964 581583722 /nfs/dbraw/zinc/58/37/22/581583722.db2.gz SZKJRNNVFDIQQS-SNVBAGLBSA-N 1 2 261.391 0.337 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000754511133 581594317 /nfs/dbraw/zinc/59/43/17/581594317.db2.gz RVCNDCPXFLIPLP-AWEZNQCLSA-N 1 2 296.367 0.072 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCCn2ccccc2=O)CC1 ZINC000735053754 581614485 /nfs/dbraw/zinc/61/44/85/581614485.db2.gz KWEKGLKPXADAQS-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000755055096 581623462 /nfs/dbraw/zinc/62/34/62/581623462.db2.gz WHEALAPGMBULTP-YNEHKIRRSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000755055096 581623464 /nfs/dbraw/zinc/62/34/64/581623464.db2.gz WHEALAPGMBULTP-YNEHKIRRSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000755057395 581623627 /nfs/dbraw/zinc/62/36/27/581623627.db2.gz XYHAEMWCCJTEPA-SECBINFHSA-N 1 2 264.329 0.767 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1=O ZINC000768906252 581662200 /nfs/dbraw/zinc/66/22/00/581662200.db2.gz RKQYXIMHLYNGBW-AWEZNQCLSA-N 1 2 275.308 0.169 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1=O ZINC000768906252 581662203 /nfs/dbraw/zinc/66/22/03/581662203.db2.gz RKQYXIMHLYNGBW-AWEZNQCLSA-N 1 2 275.308 0.169 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](CO)SC ZINC000769338463 581684862 /nfs/dbraw/zinc/68/48/62/581684862.db2.gz AYLWQGAZEZRENR-WOPDTQHZSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](CO)SC ZINC000769338463 581684864 /nfs/dbraw/zinc/68/48/64/581684864.db2.gz AYLWQGAZEZRENR-WOPDTQHZSA-N 1 2 270.398 0.313 20 30 CCEDLO NC(=[NH+]OCCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000769375938 581686480 /nfs/dbraw/zinc/68/64/80/581686480.db2.gz BDXFVRGSGIGNPO-UHFFFAOYSA-N 1 2 294.286 0.405 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000769517071 581693836 /nfs/dbraw/zinc/69/38/36/581693836.db2.gz OROKLASSQPXNJS-UHFFFAOYSA-N 1 2 298.346 0.798 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCn2c(CO)nnc2C1 ZINC000769517071 581693841 /nfs/dbraw/zinc/69/38/41/581693841.db2.gz OROKLASSQPXNJS-UHFFFAOYSA-N 1 2 298.346 0.798 20 30 CCEDLO NC(=[NH+]O[C@@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000769878673 581712704 /nfs/dbraw/zinc/71/27/04/581712704.db2.gz PFSLQZKTABIRGI-SECBINFHSA-N 1 2 253.689 0.865 20 30 CCEDLO C#CCNC(=S)NCCc1cn2ccccc2[nH+]1 ZINC000758187070 581725046 /nfs/dbraw/zinc/72/50/46/581725046.db2.gz VCYFCVWUYAYNBD-UHFFFAOYSA-N 1 2 258.350 0.974 20 30 CCEDLO COCCC[N@H+](CCOC)Cn1cccc(C#N)c1=O ZINC000758194568 581726171 /nfs/dbraw/zinc/72/61/71/581726171.db2.gz SKRXICIPKNHKII-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO COCCC[N@@H+](CCOC)Cn1cccc(C#N)c1=O ZINC000758194568 581726173 /nfs/dbraw/zinc/72/61/73/581726173.db2.gz SKRXICIPKNHKII-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000758238528 581731522 /nfs/dbraw/zinc/73/15/22/581731522.db2.gz VIZKIXROWAUFBV-DGCLKSJQSA-N 1 2 289.335 0.727 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000758238528 581731524 /nfs/dbraw/zinc/73/15/24/581731524.db2.gz VIZKIXROWAUFBV-DGCLKSJQSA-N 1 2 289.335 0.727 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCSCC(=O)OC)CC1 ZINC000730841536 581740270 /nfs/dbraw/zinc/74/02/70/581740270.db2.gz FBRUZRHEGVTOBQ-UHFFFAOYSA-N 1 2 284.381 0.060 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000731846261 581783390 /nfs/dbraw/zinc/78/33/90/581783390.db2.gz DHWFMRODNZOSHU-ZIAGYGMSSA-N 1 2 276.384 0.290 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccn(C(C)C)n2)CC1 ZINC000742670671 581790929 /nfs/dbraw/zinc/79/09/29/581790929.db2.gz NYSVPZODQAWAOI-UHFFFAOYSA-N 1 2 274.368 0.784 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000732060133 581800052 /nfs/dbraw/zinc/80/00/52/581800052.db2.gz MVABHXPGTRXYRX-ZDUSSCGKSA-N 1 2 296.334 0.698 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000732060133 581800053 /nfs/dbraw/zinc/80/00/53/581800053.db2.gz MVABHXPGTRXYRX-ZDUSSCGKSA-N 1 2 296.334 0.698 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000771447320 581804221 /nfs/dbraw/zinc/80/42/21/581804221.db2.gz RHCORHWPKSVOFW-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000771447320 581804223 /nfs/dbraw/zinc/80/42/23/581804223.db2.gz RHCORHWPKSVOFW-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO C#CCOCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000788040788 581804552 /nfs/dbraw/zinc/80/45/52/581804552.db2.gz BZOWAUWHGSNOOJ-UHFFFAOYSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000732351130 581820446 /nfs/dbraw/zinc/82/04/46/581820446.db2.gz QTRHXJKSXFWYEK-JTQLQIEISA-N 1 2 271.276 0.629 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772064861 581841595 /nfs/dbraw/zinc/84/15/95/581841595.db2.gz ZDLBZSLOLUXPID-GHMZBOCLSA-N 1 2 286.397 0.658 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772064861 581841596 /nfs/dbraw/zinc/84/15/96/581841596.db2.gz ZDLBZSLOLUXPID-GHMZBOCLSA-N 1 2 286.397 0.658 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000760084198 581841733 /nfs/dbraw/zinc/84/17/33/581841733.db2.gz DWNQYZDHAGDKNI-CYBMUJFWSA-N 1 2 291.395 0.601 20 30 CCEDLO C=CCOCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000744606333 581845804 /nfs/dbraw/zinc/84/58/04/581845804.db2.gz IMZCZJBQDYBSBL-NSHDSACASA-N 1 2 283.397 0.825 20 30 CCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000761030307 581883602 /nfs/dbraw/zinc/88/36/02/581883602.db2.gz FZRBHHYHOPBXCH-UHFFFAOYSA-N 1 2 293.392 0.272 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1CCCO1 ZINC000773316557 581921656 /nfs/dbraw/zinc/92/16/56/581921656.db2.gz WJVPFHSGJKALEN-GHMZBOCLSA-N 1 2 262.313 0.400 20 30 CCEDLO CON=CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000773959471 581948138 /nfs/dbraw/zinc/94/81/38/581948138.db2.gz WUOHMCYAYHUANA-LBPRGKRZSA-N 1 2 269.345 0.332 20 30 CCEDLO CON=CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000773933413 581948330 /nfs/dbraw/zinc/94/83/30/581948330.db2.gz WWHPBRQEGJUELA-UHFFFAOYSA-N 1 2 259.269 0.516 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000762538458 581949954 /nfs/dbraw/zinc/94/99/54/581949954.db2.gz OGVWFYYESXWPKN-NQCMUKECSA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000762538458 581949957 /nfs/dbraw/zinc/94/99/57/581949957.db2.gz OGVWFYYESXWPKN-NQCMUKECSA-N 1 2 282.409 0.311 20 30 CCEDLO C[NH+]1CCN(CC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000748411238 581974146 /nfs/dbraw/zinc/97/41/46/581974146.db2.gz XWLISEXBZGLPJW-UHFFFAOYSA-N 1 2 274.324 0.450 20 30 CCEDLO C=CC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000763725327 582012196 /nfs/dbraw/zinc/01/21/96/582012196.db2.gz BGVCALKFSNYSRB-VXGBXAGGSA-N 1 2 299.392 0.757 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000763725327 582012198 /nfs/dbraw/zinc/01/21/98/582012198.db2.gz BGVCALKFSNYSRB-VXGBXAGGSA-N 1 2 299.392 0.757 20 30 CCEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCCO1 ZINC000775340919 582019433 /nfs/dbraw/zinc/01/94/33/582019433.db2.gz NEMXFELTKSVGPO-YPMHNXCESA-N 1 2 297.318 0.573 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000775426792 582023902 /nfs/dbraw/zinc/02/39/02/582023902.db2.gz LNJRYLKZDOUGDW-QWHCGFSZSA-N 1 2 285.388 0.191 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000775426792 582023905 /nfs/dbraw/zinc/02/39/05/582023905.db2.gz LNJRYLKZDOUGDW-QWHCGFSZSA-N 1 2 285.388 0.191 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1CCCC)[C@@H]1CCCO1 ZINC000775797922 582039608 /nfs/dbraw/zinc/03/96/08/582039608.db2.gz GOXQVSPOBBJZNH-NEPJUHHUSA-N 1 2 263.345 0.744 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000764871186 582073199 /nfs/dbraw/zinc/07/31/99/582073199.db2.gz ZQYWGBARIAEIIU-UHFFFAOYSA-N 1 2 266.341 0.496 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000776466264 582073892 /nfs/dbraw/zinc/07/38/92/582073892.db2.gz BPQREDYBSBKQCQ-QWHCGFSZSA-N 1 2 250.342 0.579 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000752000605 582098480 /nfs/dbraw/zinc/09/84/80/582098480.db2.gz MATZMPBEEPCQBF-FQEVSTJZSA-N 1 2 294.380 0.023 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000805068505 612985096 /nfs/dbraw/zinc/98/50/96/612985096.db2.gz NRNVWKMPBPWROW-LLVKDONJSA-N 1 2 267.354 0.531 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000853607803 612987438 /nfs/dbraw/zinc/98/74/38/612987438.db2.gz WCOTYAICWKMTBE-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000853607803 612987440 /nfs/dbraw/zinc/98/74/40/612987440.db2.gz WCOTYAICWKMTBE-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000853355688 612988055 /nfs/dbraw/zinc/98/80/55/612988055.db2.gz HUXBRJALGHIOSX-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CC(C)(C)[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000851987868 612945721 /nfs/dbraw/zinc/94/57/21/612945721.db2.gz XYSQEELQVQDZEU-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CC(C)(C)[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000851987868 612945722 /nfs/dbraw/zinc/94/57/22/612945722.db2.gz XYSQEELQVQDZEU-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+](CCOCC)CC1 ZINC000896290183 613010097 /nfs/dbraw/zinc/01/00/97/613010097.db2.gz WZBDHYFUBKUXCK-UHFFFAOYSA-N 1 2 270.398 0.534 20 30 CCEDLO C#CCSCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000153367798 613016771 /nfs/dbraw/zinc/01/67/71/613016771.db2.gz QPMNILXZWWNUIB-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268576 612950044 /nfs/dbraw/zinc/95/00/44/612950044.db2.gz LJBRWIKGWXLIRT-VHSXEESVSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268576 612950045 /nfs/dbraw/zinc/95/00/45/612950045.db2.gz LJBRWIKGWXLIRT-VHSXEESVSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000858282741 613034986 /nfs/dbraw/zinc/03/49/86/613034986.db2.gz QBWYDGIARIWCMS-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000858282741 613034989 /nfs/dbraw/zinc/03/49/89/613034989.db2.gz QBWYDGIARIWCMS-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000927382468 613047481 /nfs/dbraw/zinc/04/74/81/613047481.db2.gz WURPPDAFHNOMNG-NSHDSACASA-N 1 2 260.297 0.607 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000858283285 613050869 /nfs/dbraw/zinc/05/08/69/613050869.db2.gz FSSVLOAUUJPKRG-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000858283285 613050870 /nfs/dbraw/zinc/05/08/70/613050870.db2.gz FSSVLOAUUJPKRG-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000896595751 612955893 /nfs/dbraw/zinc/95/58/93/612955893.db2.gz ZHJXSFAKICFYSS-UHFFFAOYSA-N 1 2 294.380 0.094 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000858861038 613066766 /nfs/dbraw/zinc/06/67/66/613066766.db2.gz YANJKWHOJZSQJS-WDEREUQCSA-N 1 2 264.329 0.720 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000858861038 613066767 /nfs/dbraw/zinc/06/67/67/613066767.db2.gz YANJKWHOJZSQJS-WDEREUQCSA-N 1 2 264.329 0.720 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812020422 613079186 /nfs/dbraw/zinc/07/91/86/613079186.db2.gz AZUIOAYZFYMUKF-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812020422 613079188 /nfs/dbraw/zinc/07/91/88/613079188.db2.gz AZUIOAYZFYMUKF-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC000848492963 613105965 /nfs/dbraw/zinc/10/59/65/613105965.db2.gz ICWINDRGRWHXKX-LLVKDONJSA-N 1 2 277.324 0.490 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC000848492963 613105966 /nfs/dbraw/zinc/10/59/66/613105966.db2.gz ICWINDRGRWHXKX-LLVKDONJSA-N 1 2 277.324 0.490 20 30 CCEDLO C#CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CSC1 ZINC000878909389 613107481 /nfs/dbraw/zinc/10/74/81/613107481.db2.gz BJXARZXCFHDSOQ-OKILXGFUSA-N 1 2 266.410 0.900 20 30 CCEDLO C#CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CSC1 ZINC000878909389 613107482 /nfs/dbraw/zinc/10/74/82/613107482.db2.gz BJXARZXCFHDSOQ-OKILXGFUSA-N 1 2 266.410 0.900 20 30 CCEDLO C#CC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000830333988 612964817 /nfs/dbraw/zinc/96/48/17/612964817.db2.gz SGAJUTQDNYZRJV-UHFFFAOYSA-N 1 2 260.345 0.365 20 30 CCEDLO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000819317533 614067960 /nfs/dbraw/zinc/06/79/60/614067960.db2.gz QUJJOYAIQOOKNC-LLVKDONJSA-N 1 2 257.359 0.843 20 30 CCEDLO C#CC1(O)C[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000898145406 612960945 /nfs/dbraw/zinc/96/09/45/612960945.db2.gz ZUDWUIYNYZKJHN-TXEJJXNPSA-N 1 2 280.368 0.970 20 30 CCEDLO C#CC1(O)C[NH+](C[C@@H](O)P(=O)(OCC)OCC)C1 ZINC000934450750 612960969 /nfs/dbraw/zinc/96/09/69/612960969.db2.gz QJWPSJWVQTVRHV-JTQLQIEISA-N 1 2 277.257 0.251 20 30 CCEDLO C#CC1CC[NH+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000830343532 612964745 /nfs/dbraw/zinc/96/47/45/612964745.db2.gz ZCEMADOODQEWGW-UHFFFAOYSA-N 1 2 271.324 0.914 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061645 612967234 /nfs/dbraw/zinc/96/72/34/612967234.db2.gz IGDBROPZRJPQBD-UHFFFAOYSA-N 1 2 290.363 0.214 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061645 612967236 /nfs/dbraw/zinc/96/72/36/612967236.db2.gz IGDBROPZRJPQBD-UHFFFAOYSA-N 1 2 290.363 0.214 20 30 CCEDLO C#CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886351884 612983594 /nfs/dbraw/zinc/98/35/94/612983594.db2.gz PZKOKRAWCTZEKH-CYBMUJFWSA-N 1 2 298.383 0.550 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886351884 612983596 /nfs/dbraw/zinc/98/35/96/612983596.db2.gz PZKOKRAWCTZEKH-CYBMUJFWSA-N 1 2 298.383 0.550 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875484925 612987003 /nfs/dbraw/zinc/98/70/03/612987003.db2.gz NREJORWPVOPNRP-CYBMUJFWSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875484925 612987004 /nfs/dbraw/zinc/98/70/04/612987004.db2.gz NREJORWPVOPNRP-CYBMUJFWSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC000949624770 612992162 /nfs/dbraw/zinc/99/21/62/612992162.db2.gz ODTPWQHEVYJXHZ-UHFFFAOYSA-N 1 2 273.336 0.490 20 30 CCEDLO C#CCCN1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000949019057 613010698 /nfs/dbraw/zinc/01/06/98/613010698.db2.gz FOKQSURYUINPRR-UHFFFAOYSA-N 1 2 290.367 0.517 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000858283282 613020655 /nfs/dbraw/zinc/02/06/55/613020655.db2.gz FSSVLOAUUJPKRG-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000858283282 613020657 /nfs/dbraw/zinc/02/06/57/613020657.db2.gz FSSVLOAUUJPKRG-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000875926452 613034933 /nfs/dbraw/zinc/03/49/33/613034933.db2.gz FYOMVVQVGMKNEH-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000875926452 613034935 /nfs/dbraw/zinc/03/49/35/613034935.db2.gz FYOMVVQVGMKNEH-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875195015 613050948 /nfs/dbraw/zinc/05/09/48/613050948.db2.gz ODYNPUMJODDMGL-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875195015 613050949 /nfs/dbraw/zinc/05/09/49/613050949.db2.gz ODYNPUMJODDMGL-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000863781446 613052157 /nfs/dbraw/zinc/05/21/57/613052157.db2.gz LWTKBSXCEDLWSY-CHWSQXEVSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000875929597 613061333 /nfs/dbraw/zinc/06/13/33/613061333.db2.gz SJCUBXSOHXBLNT-UONOGXRCSA-N 1 2 297.399 0.387 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000798405203 613061868 /nfs/dbraw/zinc/06/18/68/613061868.db2.gz CRRNISJLVHDSFI-IHRRRGAJSA-N 1 2 297.399 0.169 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875928396 613063177 /nfs/dbraw/zinc/06/31/77/613063177.db2.gz RCIJFIFCSMAYKJ-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875928396 613063178 /nfs/dbraw/zinc/06/31/78/613063178.db2.gz RCIJFIFCSMAYKJ-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875594343 613083964 /nfs/dbraw/zinc/08/39/64/613083964.db2.gz OSKVTBBODVYULH-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875594343 613083965 /nfs/dbraw/zinc/08/39/65/613083965.db2.gz OSKVTBBODVYULH-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820667380 613085535 /nfs/dbraw/zinc/08/55/35/613085535.db2.gz VIMPHTFJOBPPHQ-MELADBBJSA-N 1 2 279.384 0.951 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820667380 613085537 /nfs/dbraw/zinc/08/55/37/613085537.db2.gz VIMPHTFJOBPPHQ-MELADBBJSA-N 1 2 279.384 0.951 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000856106766 613098083 /nfs/dbraw/zinc/09/80/83/613098083.db2.gz ZEZDQMCGWOGGBV-UKRRQHHQSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000892871711 613102020 /nfs/dbraw/zinc/10/20/20/613102020.db2.gz OKRMQBQUYSWDNO-HUUCEWRRSA-N 1 2 292.427 0.820 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C[NH+]1CCOCC1 ZINC000852428252 613105368 /nfs/dbraw/zinc/10/53/68/613105368.db2.gz HCQRKWBYDMMGQO-CQSZACIVSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(CC)CC)CC2)C1 ZINC000941315598 613114771 /nfs/dbraw/zinc/11/47/71/613114771.db2.gz JGRSNZTYUWNVHH-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC000928648073 613133271 /nfs/dbraw/zinc/13/32/71/613133271.db2.gz FHXNWFFQPTYVMI-CYBMUJFWSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000928655508 613137975 /nfs/dbraw/zinc/13/79/75/613137975.db2.gz RUQAYWHZVKSNKQ-UHFFFAOYSA-N 1 2 260.341 0.854 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCOCC1 ZINC000875748644 613143728 /nfs/dbraw/zinc/14/37/28/613143728.db2.gz RKJSAIFYAOJLCH-OCCSQVGLSA-N 1 2 288.351 0.535 20 30 CCEDLO C#C[C@](C)(CC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882227320 613164342 /nfs/dbraw/zinc/16/43/42/613164342.db2.gz CSRRGUOXANVAJX-LLVKDONJSA-N 1 2 255.343 0.604 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@@H](C)O)C2)nc1 ZINC000957289657 613166971 /nfs/dbraw/zinc/16/69/71/613166971.db2.gz CDPZATUNTWMWMD-GFCCVEGCSA-N 1 2 287.363 0.590 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000923559951 613172611 /nfs/dbraw/zinc/17/26/11/613172611.db2.gz WDEHAVVOWFEQCF-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000923559951 613172612 /nfs/dbraw/zinc/17/26/12/613172612.db2.gz WDEHAVVOWFEQCF-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncccc2S(N)(=O)=O)C1 ZINC000884612313 613176615 /nfs/dbraw/zinc/17/66/15/613176615.db2.gz JFGBKLBMAVJIIL-LLVKDONJSA-N 1 2 294.380 0.239 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncccc2S(N)(=O)=O)C1 ZINC000884612313 613176617 /nfs/dbraw/zinc/17/66/17/613176617.db2.gz JFGBKLBMAVJIIL-LLVKDONJSA-N 1 2 294.380 0.239 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)cn1 ZINC000874702237 613178132 /nfs/dbraw/zinc/17/81/32/613178132.db2.gz JBSHOFHLBHYNDS-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)cn1 ZINC000874702237 613178133 /nfs/dbraw/zinc/17/81/33/613178133.db2.gz JBSHOFHLBHYNDS-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC)C2)cc1 ZINC000970253256 613182839 /nfs/dbraw/zinc/18/28/39/613182839.db2.gz JYJFQUTUTUYPPM-LBPRGKRZSA-N 1 2 299.374 0.464 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2(COC)CC2)C1 ZINC000885508240 613192767 /nfs/dbraw/zinc/19/27/67/613192767.db2.gz DFUYJCIBOULZDV-LBPRGKRZSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2(COC)CC2)C1 ZINC000885508240 613192769 /nfs/dbraw/zinc/19/27/69/613192769.db2.gz DFUYJCIBOULZDV-LBPRGKRZSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(OC)CCSC1 ZINC000928490507 613200133 /nfs/dbraw/zinc/20/01/33/613200133.db2.gz MMGIGNSRCFOYHR-GXTWGEPZSA-N 1 2 282.409 0.722 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(OC)CCSC1 ZINC000928490507 613200134 /nfs/dbraw/zinc/20/01/34/613200134.db2.gz MMGIGNSRCFOYHR-GXTWGEPZSA-N 1 2 282.409 0.722 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCC[C@@H](OC)C1 ZINC000928411757 613200704 /nfs/dbraw/zinc/20/07/04/613200704.db2.gz YJKBMFSYNIAREC-OLZOCXBDSA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCC[C@@H](OC)C1 ZINC000928411757 613200706 /nfs/dbraw/zinc/20/07/06/613200706.db2.gz YJKBMFSYNIAREC-OLZOCXBDSA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncnn1C ZINC000834307509 613201821 /nfs/dbraw/zinc/20/18/21/613201821.db2.gz YJWSFSLPHFDTRQ-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncnn1C ZINC000834307509 613201823 /nfs/dbraw/zinc/20/18/23/613201823.db2.gz YJWSFSLPHFDTRQ-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC1CC1)C(=O)OCC ZINC000832645900 613201956 /nfs/dbraw/zinc/20/19/56/613201956.db2.gz MZUPYNVNGGDCDK-KGLIPLIRSA-N 1 2 292.379 0.932 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC1CC1)C(=O)OCC ZINC000832645900 613201957 /nfs/dbraw/zinc/20/19/57/613201957.db2.gz MZUPYNVNGGDCDK-KGLIPLIRSA-N 1 2 292.379 0.932 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000837257936 613202718 /nfs/dbraw/zinc/20/27/18/613202718.db2.gz IVTUHWACFRBRKI-RDBSUJKOSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000837257936 613202720 /nfs/dbraw/zinc/20/27/20/613202720.db2.gz IVTUHWACFRBRKI-RDBSUJKOSA-N 1 2 289.379 0.354 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC(=O)N2)c1 ZINC000844276084 613203728 /nfs/dbraw/zinc/20/37/28/613203728.db2.gz AKXTYDVYAHNSAR-AWEZNQCLSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC(=O)N2)c1 ZINC000844276084 613203729 /nfs/dbraw/zinc/20/37/29/613203729.db2.gz AKXTYDVYAHNSAR-AWEZNQCLSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)c2cnccn2)CC1 ZINC000825891407 613204412 /nfs/dbraw/zinc/20/44/12/613204412.db2.gz JVTSVJOTIWDNKR-QBFSEMIESA-N 1 2 270.336 0.657 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2CC=C)CC1 ZINC000858898570 613209660 /nfs/dbraw/zinc/20/96/60/613209660.db2.gz GGMBSRZLGWQRMU-UHFFFAOYSA-N 1 2 297.366 0.609 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@H]3C)n2C)CC1 ZINC000842930353 613209674 /nfs/dbraw/zinc/20/96/74/613209674.db2.gz UQAGERQGPJUWAT-STQMWFEESA-N 1 2 289.383 0.463 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2CC)CC1 ZINC000828601009 613209893 /nfs/dbraw/zinc/20/98/93/613209893.db2.gz NNYLVLHAYDPKHM-UHFFFAOYSA-N 1 2 285.355 0.443 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](CC)OC)CC2)C1 ZINC000949320115 613210555 /nfs/dbraw/zinc/21/05/55/613210555.db2.gz FWFIFIKTBOTKIZ-AWEZNQCLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)OC)CC2)C1 ZINC000949320115 613210556 /nfs/dbraw/zinc/21/05/56/613210556.db2.gz FWFIFIKTBOTKIZ-AWEZNQCLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000949376108 613210581 /nfs/dbraw/zinc/21/05/81/613210581.db2.gz SIWSGJSDIFHOIW-UHFFFAOYSA-N 1 2 287.363 0.955 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000949376108 613210582 /nfs/dbraw/zinc/21/05/82/613210582.db2.gz SIWSGJSDIFHOIW-UHFFFAOYSA-N 1 2 287.363 0.955 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426130 613211176 /nfs/dbraw/zinc/21/11/76/613211176.db2.gz UGOIMSSMAFEGQO-XUJLQICISA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426130 613211178 /nfs/dbraw/zinc/21/11/78/613211178.db2.gz UGOIMSSMAFEGQO-XUJLQICISA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972291099 613211388 /nfs/dbraw/zinc/21/13/88/613211388.db2.gz MMYKKWODDVJTEB-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972291099 613211389 /nfs/dbraw/zinc/21/13/89/613211389.db2.gz MMYKKWODDVJTEB-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H](CC)C[NH+]2CCOCC2)c1 ZINC000928652435 613221327 /nfs/dbraw/zinc/22/13/27/613221327.db2.gz ZGUVZQXRGXSHJK-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC000951126375 613294495 /nfs/dbraw/zinc/29/44/95/613294495.db2.gz QJLPGAMZLHIWDH-QWHCGFSZSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC000952433476 613319989 /nfs/dbraw/zinc/31/99/89/613319989.db2.gz PKGCIKDHGHLONM-UHFFFAOYSA-N 1 2 276.340 0.448 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324627 613323830 /nfs/dbraw/zinc/32/38/30/613323830.db2.gz YZZAFOROPNVHLG-AWEZNQCLSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324627 613323832 /nfs/dbraw/zinc/32/38/32/613323832.db2.gz YZZAFOROPNVHLG-AWEZNQCLSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000815055764 613325748 /nfs/dbraw/zinc/32/57/48/613325748.db2.gz NCJJBJLPLYQMSU-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000815055764 613325749 /nfs/dbraw/zinc/32/57/49/613325749.db2.gz NCJJBJLPLYQMSU-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839134928 613327720 /nfs/dbraw/zinc/32/77/20/613327720.db2.gz WLRPJOBCYGVGKG-UHFFFAOYSA-N 1 2 269.345 0.192 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839134928 613327718 /nfs/dbraw/zinc/32/77/18/613327718.db2.gz WLRPJOBCYGVGKG-UHFFFAOYSA-N 1 2 269.345 0.192 20 30 CCEDLO C=C(C)C[C@@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000883399501 613355465 /nfs/dbraw/zinc/35/54/65/613355465.db2.gz OVOVRNZGXYJBJC-JTQLQIEISA-N 1 2 253.350 0.845 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000883701579 613357587 /nfs/dbraw/zinc/35/75/87/613357587.db2.gz QMSKOOVQUBONDX-SNVBAGLBSA-N 1 2 252.318 0.546 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000913506043 613362922 /nfs/dbraw/zinc/36/29/22/613362922.db2.gz AUIJFLUSARNVAX-BFHYXJOUSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000913506043 613362923 /nfs/dbraw/zinc/36/29/23/613362923.db2.gz AUIJFLUSARNVAX-BFHYXJOUSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970759547 613372093 /nfs/dbraw/zinc/37/20/93/613372093.db2.gz IDQLREPIDBMZPT-ONGXEEELSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926548 613380081 /nfs/dbraw/zinc/38/00/81/613380081.db2.gz NIUKVGBMUCMFCJ-GXSJLCMTSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926548 613380082 /nfs/dbraw/zinc/38/00/82/613380082.db2.gz NIUKVGBMUCMFCJ-GXSJLCMTSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000957820595 613380465 /nfs/dbraw/zinc/38/04/65/613380465.db2.gz IDMUMPNBXHLFII-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000957820595 613380466 /nfs/dbraw/zinc/38/04/66/613380466.db2.gz IDMUMPNBXHLFII-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 ZINC000958512308 613381097 /nfs/dbraw/zinc/38/10/97/613381097.db2.gz OGSWOMKZFARCCY-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 ZINC000958512308 613381098 /nfs/dbraw/zinc/38/10/98/613381098.db2.gz OGSWOMKZFARCCY-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C(C)(C)C1 ZINC000975051216 613381328 /nfs/dbraw/zinc/38/13/28/613381328.db2.gz WDTPYWMROHJSNS-VWYCJHECSA-N 1 2 299.802 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C(C)(C)C1 ZINC000975051216 613381329 /nfs/dbraw/zinc/38/13/29/613381329.db2.gz WDTPYWMROHJSNS-VWYCJHECSA-N 1 2 299.802 0.687 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)=O ZINC000960298407 613386455 /nfs/dbraw/zinc/38/64/55/613386455.db2.gz BYFGLKLKRXBXLK-VXGBXAGGSA-N 1 2 293.754 0.596 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000865308777 613388899 /nfs/dbraw/zinc/38/88/99/613388899.db2.gz CLHRHMIDOKZKCE-VIFPVBQESA-N 1 2 268.704 0.983 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000870056094 613393608 /nfs/dbraw/zinc/39/36/08/613393608.db2.gz LWPQAVRRZLBJSV-CQSZACIVSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCNC(=O)C(C)C ZINC000878333678 613396738 /nfs/dbraw/zinc/39/67/38/613396738.db2.gz AZBXYHYOTGARKK-NSHDSACASA-N 1 2 256.346 0.808 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCNC(=O)C(C)C ZINC000878333678 613396740 /nfs/dbraw/zinc/39/67/40/613396740.db2.gz AZBXYHYOTGARKK-NSHDSACASA-N 1 2 256.346 0.808 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC2(C)C)C1 ZINC000975028802 613398722 /nfs/dbraw/zinc/39/87/22/613398722.db2.gz PCJMDCBJVWJCCV-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC2(C)C)C1 ZINC000975028802 613398725 /nfs/dbraw/zinc/39/87/25/613398725.db2.gz PCJMDCBJVWJCCV-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975024594 613398953 /nfs/dbraw/zinc/39/89/53/613398953.db2.gz GTDGLWFRHPZAPB-LLVKDONJSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975024594 613398956 /nfs/dbraw/zinc/39/89/56/613398956.db2.gz GTDGLWFRHPZAPB-LLVKDONJSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000878313622 613410398 /nfs/dbraw/zinc/41/03/98/613410398.db2.gz BMEYRHAPDRSQIS-LLVKDONJSA-N 1 2 290.385 0.105 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931631735 613410505 /nfs/dbraw/zinc/41/05/05/613410505.db2.gz JKKYWKZCDUBHOD-GHMZBOCLSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931631735 613410508 /nfs/dbraw/zinc/41/05/08/613410508.db2.gz JKKYWKZCDUBHOD-GHMZBOCLSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897649032 613418030 /nfs/dbraw/zinc/41/80/30/613418030.db2.gz MUIPFHHUZUKCGU-MFKMUULPSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897649032 613418031 /nfs/dbraw/zinc/41/80/31/613418031.db2.gz MUIPFHHUZUKCGU-MFKMUULPSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)OC ZINC000878423222 613419583 /nfs/dbraw/zinc/41/95/83/613419583.db2.gz PZIXOCYFPVNZOJ-MXWKQRLJSA-N 1 2 254.330 0.738 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854220550 613444898 /nfs/dbraw/zinc/44/48/98/613444898.db2.gz VTNPCGWOUJNTHS-NEPJUHHUSA-N 1 2 269.345 0.609 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000934321970 613447595 /nfs/dbraw/zinc/44/75/95/613447595.db2.gz WEACNAOEVHBFSX-KBPBESRZSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922719930 613471162 /nfs/dbraw/zinc/47/11/62/613471162.db2.gz MZUPRZDBLFNXBA-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000904127938 613471837 /nfs/dbraw/zinc/47/18/37/613471837.db2.gz CCNQBZYAWFEOSS-ZDUSSCGKSA-N 1 2 295.383 0.985 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC000924608372 613475295 /nfs/dbraw/zinc/47/52/95/613475295.db2.gz NPIJNKNXUSSTLF-QWHCGFSZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC000924608372 613475296 /nfs/dbraw/zinc/47/52/96/613475296.db2.gz NPIJNKNXUSSTLF-QWHCGFSZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454219 613509140 /nfs/dbraw/zinc/50/91/40/613509140.db2.gz ZNKUZVOVBPYTEO-AAEUAGOBSA-N 1 2 264.329 0.210 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981626628 613549419 /nfs/dbraw/zinc/54/94/19/613549419.db2.gz UDJAKIQNOATLTG-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981626628 613549420 /nfs/dbraw/zinc/54/94/20/613549420.db2.gz UDJAKIQNOATLTG-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC000981626628 613549421 /nfs/dbraw/zinc/54/94/21/613549421.db2.gz UDJAKIQNOATLTG-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC000981626628 613549422 /nfs/dbraw/zinc/54/94/22/613549422.db2.gz UDJAKIQNOATLTG-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CCN1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981626628 613549423 /nfs/dbraw/zinc/54/94/23/613549423.db2.gz UDJAKIQNOATLTG-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC000948722847 613563237 /nfs/dbraw/zinc/56/32/37/613563237.db2.gz AXCPZCOXJNCGAO-CYBMUJFWSA-N 1 2 277.368 0.070 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913444964 613571605 /nfs/dbraw/zinc/57/16/05/613571605.db2.gz IIMGRAYOTPYLEX-GFCCVEGCSA-N 1 2 264.329 0.475 20 30 CCEDLO C=CCCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866995252 613573707 /nfs/dbraw/zinc/57/37/07/613573707.db2.gz BGUNNSCNGUYJPU-SNAWJCMRSA-N 1 2 268.357 0.584 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC000947342995 613577938 /nfs/dbraw/zinc/57/79/38/613577938.db2.gz MRXNKIXDGZDIJY-DGCLKSJQSA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC000947342995 613577939 /nfs/dbraw/zinc/57/79/39/613577939.db2.gz MRXNKIXDGZDIJY-DGCLKSJQSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909375875 613583262 /nfs/dbraw/zinc/58/32/62/613583262.db2.gz NDBMQVDURDITFQ-ZVHGMHCTSA-N 1 2 282.384 0.708 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868787161 613583291 /nfs/dbraw/zinc/58/32/91/613583291.db2.gz QWVVQAFBYNKTTL-AGLBCWCQSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000927501359 613592318 /nfs/dbraw/zinc/59/23/18/613592318.db2.gz BMHYEKFQVGIYGB-VXGBXAGGSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000927501359 613592320 /nfs/dbraw/zinc/59/23/20/613592320.db2.gz BMHYEKFQVGIYGB-VXGBXAGGSA-N 1 2 280.372 0.119 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccnc2[N+](=O)[O-])nn1 ZINC000887462988 613645129 /nfs/dbraw/zinc/64/51/29/613645129.db2.gz LOILHEHUYMJUBY-UHFFFAOYSA-N 1 2 286.295 0.743 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)nnc2C)nn1 ZINC000905838744 613645144 /nfs/dbraw/zinc/64/51/44/613645144.db2.gz TVSJEXJBWQFIPH-UHFFFAOYSA-N 1 2 270.340 0.846 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000950701672 613653677 /nfs/dbraw/zinc/65/36/77/613653677.db2.gz QUMBBTXZHMVWKM-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC000957326923 613654157 /nfs/dbraw/zinc/65/41/57/613654157.db2.gz WKMPIDAUNJZKDB-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000951189440 613654420 /nfs/dbraw/zinc/65/44/20/613654420.db2.gz AAALPXUGPWZUGL-GFCCVEGCSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC000950807794 613655462 /nfs/dbraw/zinc/65/54/62/613655462.db2.gz FLADXXMRAUQZIN-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000949025347 613712996 /nfs/dbraw/zinc/71/29/96/613712996.db2.gz FHFKHGBFLGTNRU-NWDGAFQWSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000957363702 613716387 /nfs/dbraw/zinc/71/63/87/613716387.db2.gz GPXSVPOTVDLZGL-UHFFFAOYSA-N 1 2 275.356 0.486 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(=O)NC)c2)CC1 ZINC000957707006 613717077 /nfs/dbraw/zinc/71/70/77/613717077.db2.gz KUHLISBZECKBJW-UHFFFAOYSA-N 1 2 287.363 0.990 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC000957685661 613717929 /nfs/dbraw/zinc/71/79/29/613717929.db2.gz OPEZODMOXMUNGA-UHFFFAOYSA-N 1 2 274.324 0.124 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cc(C)cnc23)CC1 ZINC000951002327 613718633 /nfs/dbraw/zinc/71/86/33/613718633.db2.gz BLSLVJFOGJXZFM-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2CC)CC1 ZINC000949076698 613718775 /nfs/dbraw/zinc/71/87/75/613718775.db2.gz UETFIWHZLPVENR-UHFFFAOYSA-N 1 2 262.357 0.926 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853556396 613719741 /nfs/dbraw/zinc/71/97/41/613719741.db2.gz CPGOVOSQNQWHGC-GFCCVEGCSA-N 1 2 269.345 0.215 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)C[C@@H]2COCCO2)C1=O ZINC000853556396 613719743 /nfs/dbraw/zinc/71/97/43/613719743.db2.gz CPGOVOSQNQWHGC-GFCCVEGCSA-N 1 2 269.345 0.215 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1=O ZINC000819898013 613720126 /nfs/dbraw/zinc/72/01/26/613720126.db2.gz WZLHFYCLIMXNSD-ZDUSSCGKSA-N 1 2 290.371 0.796 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](n3ccnn3)C2)C1=O ZINC000819898013 613720127 /nfs/dbraw/zinc/72/01/27/613720127.db2.gz WZLHFYCLIMXNSD-ZDUSSCGKSA-N 1 2 290.371 0.796 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972299042 613723744 /nfs/dbraw/zinc/72/37/44/613723744.db2.gz XJVSWRSNGFNHJC-OCCSQVGLSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972299042 613723745 /nfs/dbraw/zinc/72/37/45/613723745.db2.gz XJVSWRSNGFNHJC-OCCSQVGLSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972369732 613726759 /nfs/dbraw/zinc/72/67/59/613726759.db2.gz HTHDRTRCPIVVLI-UKRRQHHQSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972369732 613726761 /nfs/dbraw/zinc/72/67/61/613726761.db2.gz HTHDRTRCPIVVLI-UKRRQHHQSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC3(C2)OCCO3)C1=O ZINC000799143239 613738930 /nfs/dbraw/zinc/73/89/30/613738930.db2.gz HHKMXHGKVPXEPJ-GFCCVEGCSA-N 1 2 266.341 0.612 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC3(C2)OCCO3)C1=O ZINC000799143239 613738932 /nfs/dbraw/zinc/73/89/32/613738932.db2.gz HHKMXHGKVPXEPJ-GFCCVEGCSA-N 1 2 266.341 0.612 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931951075 613845916 /nfs/dbraw/zinc/84/59/16/613845916.db2.gz PCMFGKMXVUKRDJ-SNVBAGLBSA-N 1 2 250.302 0.470 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931951075 613845918 /nfs/dbraw/zinc/84/59/18/613845918.db2.gz PCMFGKMXVUKRDJ-SNVBAGLBSA-N 1 2 250.302 0.470 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000884400091 613877606 /nfs/dbraw/zinc/87/76/06/613877606.db2.gz WLAKFBGVQWIKQN-SRVKXCTJSA-N 1 2 282.340 0.213 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(C1)CCOCC2 ZINC000884168548 613877698 /nfs/dbraw/zinc/87/76/98/613877698.db2.gz HWFAGOZQOSMILG-LBPRGKRZSA-N 1 2 296.367 0.462 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1CC(C)C ZINC000884133911 613877779 /nfs/dbraw/zinc/87/77/79/613877779.db2.gz OVJFPBZLHANHRZ-STQMWFEESA-N 1 2 298.383 0.707 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000884389081 613877791 /nfs/dbraw/zinc/87/77/91/613877791.db2.gz OFSQZDMCTXCKTE-CABZTGNLSA-N 1 2 288.294 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSCC1 ZINC000884067309 613877833 /nfs/dbraw/zinc/87/78/33/613877833.db2.gz CTRBNLJQJYOQEW-VIFPVBQESA-N 1 2 258.343 0.008 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000884087522 613878075 /nfs/dbraw/zinc/87/80/75/613878075.db2.gz GGKKCZQEXUEGLP-DCAQKATOSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1ccccc1 ZINC000884054481 613878170 /nfs/dbraw/zinc/87/81/70/613878170.db2.gz GVMYIZGXVWMDQQ-ZDUSSCGKSA-N 1 2 292.335 0.628 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC1(C)C ZINC000884137689 613878310 /nfs/dbraw/zinc/87/83/10/613878310.db2.gz SYANIUASVXLACY-ZJUUUORDSA-N 1 2 254.330 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000884196598 613878392 /nfs/dbraw/zinc/87/83/92/613878392.db2.gz VUTRNXIGEHOHBR-RYUDHWBXSA-N 1 2 294.355 0.082 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H](C)CC ZINC000884099474 613878580 /nfs/dbraw/zinc/87/85/80/613878580.db2.gz PGEMXDBVZZSHMO-DCAQKATOSA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000884379948 613878716 /nfs/dbraw/zinc/87/87/16/613878716.db2.gz OSWGDVAKIGVUKS-TUAOUCFPSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H](C)CC ZINC000884099475 613878801 /nfs/dbraw/zinc/87/88/01/613878801.db2.gz PGEMXDBVZZSHMO-MXWKQRLJSA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOCC[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880340555 613881270 /nfs/dbraw/zinc/88/12/70/613881270.db2.gz GGBWMBLAXJELGN-GFCCVEGCSA-N 1 2 257.330 0.747 20 30 CCEDLO C=CCOc1ccccc1C[N@H+](C)CCS(N)(=O)=O ZINC000877826352 613884816 /nfs/dbraw/zinc/88/48/16/613884816.db2.gz BMOREMATZPBOAR-UHFFFAOYSA-N 1 2 284.381 0.972 20 30 CCEDLO C=CCOc1ccccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826352 613884817 /nfs/dbraw/zinc/88/48/17/613884817.db2.gz BMOREMATZPBOAR-UHFFFAOYSA-N 1 2 284.381 0.972 20 30 CCEDLO CC(C)OCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC000837446469 614013761 /nfs/dbraw/zinc/01/37/61/614013761.db2.gz KZAQVDUYFQDERT-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000880588682 614183688 /nfs/dbraw/zinc/18/36/88/614183688.db2.gz WVSATADCDCPJCU-WFASDCNBSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000880588682 614183690 /nfs/dbraw/zinc/18/36/90/614183690.db2.gz WVSATADCDCPJCU-WFASDCNBSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000826571580 614327740 /nfs/dbraw/zinc/32/77/40/614327740.db2.gz IIAHANIYUKDBTR-QWHCGFSZSA-N 1 2 252.358 0.871 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCO[C@@H](C)C#N)C1 ZINC000805471895 615185914 /nfs/dbraw/zinc/18/59/14/615185914.db2.gz XAMBEGIPWRGJBH-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCCO[C@@H](C)C#N)C1 ZINC000805471895 615185916 /nfs/dbraw/zinc/18/59/16/615185916.db2.gz XAMBEGIPWRGJBH-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000859325129 615206603 /nfs/dbraw/zinc/20/66/03/615206603.db2.gz RTNWQYKFDITKHS-LLVKDONJSA-N 1 2 298.339 0.079 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867420351 615470282 /nfs/dbraw/zinc/47/02/82/615470282.db2.gz UMOIBFIJLMQAIM-MVZIDQBPSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801946971 615548978 /nfs/dbraw/zinc/54/89/78/615548978.db2.gz RYTPVTXQOSTQJW-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801946971 615548979 /nfs/dbraw/zinc/54/89/79/615548979.db2.gz RYTPVTXQOSTQJW-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931300354 615588045 /nfs/dbraw/zinc/58/80/45/615588045.db2.gz UQBWOSZFEBEMDK-IPYPFGDCSA-N 1 2 295.383 0.675 20 30 CCEDLO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CCC[C@H]1C#N ZINC000877197969 615937192 /nfs/dbraw/zinc/93/71/92/615937192.db2.gz ZSMRNMJRVISJLJ-JOYOIKCWSA-N 1 2 273.340 0.820 20 30 CCEDLO CN(C)c1[nH+]cc(CN=Nc2nccn(C)c2=O)n1C ZINC000811643604 616035481 /nfs/dbraw/zinc/03/54/81/616035481.db2.gz GJHQEVHHAFZKHZ-UHFFFAOYSA-N 1 2 275.316 0.026 20 30 CCEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCCNC1=O ZINC000843392809 616093062 /nfs/dbraw/zinc/09/30/62/616093062.db2.gz NONJBXGPCNAZNC-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCCNC1=O ZINC000843392809 616093065 /nfs/dbraw/zinc/09/30/65/616093065.db2.gz NONJBXGPCNAZNC-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccccc2CC#N)C[C@H]1CO ZINC000913557397 616230745 /nfs/dbraw/zinc/23/07/45/616230745.db2.gz AMILBXUTPJJLNK-ZDUSSCGKSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccccc2CC#N)C[C@H]1CO ZINC000913557397 616230746 /nfs/dbraw/zinc/23/07/46/616230746.db2.gz AMILBXUTPJJLNK-ZDUSSCGKSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1ccc(C#N)cn1 ZINC000895611836 616249457 /nfs/dbraw/zinc/24/94/57/616249457.db2.gz JYOZHFBTDRCHPL-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1ccc(C#N)cn1 ZINC000895611836 616249458 /nfs/dbraw/zinc/24/94/58/616249458.db2.gz JYOZHFBTDRCHPL-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C#N)C2)C1 ZINC000916882202 616261774 /nfs/dbraw/zinc/26/17/74/616261774.db2.gz FZKRYEXALBUMMV-VXGBXAGGSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C#N)C2)C1 ZINC000916882202 616261775 /nfs/dbraw/zinc/26/17/75/616261775.db2.gz FZKRYEXALBUMMV-VXGBXAGGSA-N 1 2 266.345 0.262 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801938510 616480280 /nfs/dbraw/zinc/48/02/80/616480280.db2.gz FSGOLBVVOJZYRZ-UTUOFQBUSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCO[C@H](C)C#N ZINC000801938510 616480282 /nfs/dbraw/zinc/48/02/82/616480282.db2.gz FSGOLBVVOJZYRZ-UTUOFQBUSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCCC#N ZINC000917104757 616488489 /nfs/dbraw/zinc/48/84/89/616488489.db2.gz WDIHZCQJEWNKBQ-UPJWGTAASA-N 1 2 293.367 0.822 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCC#N ZINC000917104757 616488498 /nfs/dbraw/zinc/48/84/98/616488498.db2.gz WDIHZCQJEWNKBQ-UPJWGTAASA-N 1 2 293.367 0.822 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158290 616507348 /nfs/dbraw/zinc/50/73/48/616507348.db2.gz WESISCLOCBKFRC-AGIUHOORSA-N 1 2 296.367 0.430 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158290 616507350 /nfs/dbraw/zinc/50/73/50/616507350.db2.gz WESISCLOCBKFRC-AGIUHOORSA-N 1 2 296.367 0.430 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000871344407 616546073 /nfs/dbraw/zinc/54/60/73/616546073.db2.gz BDTIHKLRAWBROA-SNVBAGLBSA-N 1 2 278.312 0.504 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000871344407 616546075 /nfs/dbraw/zinc/54/60/75/616546075.db2.gz BDTIHKLRAWBROA-SNVBAGLBSA-N 1 2 278.312 0.504 20 30 CCEDLO COC(=O)c1ccc(C=NNc2[nH+]ccn2C)n1C ZINC000814918417 616891321 /nfs/dbraw/zinc/89/13/21/616891321.db2.gz PDBBJVHZIDOPPJ-UHFFFAOYSA-N 1 2 261.285 0.991 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCOCCC#N)C1CCOCC1 ZINC000880340991 617020117 /nfs/dbraw/zinc/02/01/17/617020117.db2.gz NPPHLBUPWWMIOI-LBPRGKRZSA-N 1 2 270.329 0.474 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586905 617022714 /nfs/dbraw/zinc/02/27/14/617022714.db2.gz YRKYPYSGMUKERD-UHFFFAOYSA-N 1 2 288.351 0.700 20 30 CCEDLO CON=CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000809596852 617104862 /nfs/dbraw/zinc/10/48/62/617104862.db2.gz DQDWPQKKTIEMNN-UHFFFAOYSA-N 1 2 250.302 0.510 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(NCC#N)CC1 ZINC001026598692 625479086 /nfs/dbraw/zinc/47/90/86/625479086.db2.gz UNGXLZBUAGEUPA-UHFFFAOYSA-N 1 2 275.356 0.801 20 30 CCEDLO O=C(NCC#CCO)NCCCNc1cccc[nH+]1 ZINC000923786076 623507342 /nfs/dbraw/zinc/50/73/42/623507342.db2.gz BFCMRLPQVFFRJW-UHFFFAOYSA-N 1 2 262.313 0.179 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)[nH]1 ZINC001010644824 624675427 /nfs/dbraw/zinc/67/54/27/624675427.db2.gz QMDVSFVMFFCQNX-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)[nH]1 ZINC001010644824 624675430 /nfs/dbraw/zinc/67/54/30/624675430.db2.gz QMDVSFVMFFCQNX-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)[nH]1 ZINC001010644821 624675609 /nfs/dbraw/zinc/67/56/09/624675609.db2.gz QMDVSFVMFFCQNX-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)[nH]1 ZINC001010644821 624675610 /nfs/dbraw/zinc/67/56/10/624675610.db2.gz QMDVSFVMFFCQNX-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO C[C@H]1/C(=C\c2c[nH+]c(N(C)C)n2C)C(=O)c2ncnn21 ZINC000905084997 634790629 /nfs/dbraw/zinc/79/06/29/634790629.db2.gz LAEZWLGWNXDUOB-SMSHQHMSSA-N 1 2 272.312 0.919 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978373326 630804338 /nfs/dbraw/zinc/80/43/38/630804338.db2.gz WKBDTPGYNXPJOZ-XYYAHUGASA-N 1 2 295.346 0.994 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978488243 630811900 /nfs/dbraw/zinc/81/19/00/630811900.db2.gz STHIMEXWDUZQEJ-XYYAHUGASA-N 1 2 295.346 0.765 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000108188018 631536772 /nfs/dbraw/zinc/53/67/72/631536772.db2.gz FPIMMMXYJYZNRD-AVGNSLFASA-N 1 2 278.352 0.542 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000108188018 631536776 /nfs/dbraw/zinc/53/67/76/631536776.db2.gz FPIMMMXYJYZNRD-AVGNSLFASA-N 1 2 278.352 0.542 20 30 CCEDLO N#CCCNC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000048391304 631708831 /nfs/dbraw/zinc/70/88/31/631708831.db2.gz ONMLNOXLAHAKKG-UHFFFAOYSA-N 1 2 276.340 0.427 20 30 CCEDLO N#Cc1cnc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)s1 ZINC000896494941 632257850 /nfs/dbraw/zinc/25/78/50/632257850.db2.gz OXVWQKVINCBKKP-SECBINFHSA-N 1 2 278.337 0.674 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928808622 632612949 /nfs/dbraw/zinc/61/29/49/632612949.db2.gz WPZABYVUOBVOOJ-QMMMGPOBSA-N 1 2 260.219 0.923 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008184596 650104446 /nfs/dbraw/zinc/10/44/46/650104446.db2.gz UJDAYSKQXARWGP-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008184596 650104449 /nfs/dbraw/zinc/10/44/49/650104449.db2.gz UJDAYSKQXARWGP-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000989495606 633319448 /nfs/dbraw/zinc/31/94/48/633319448.db2.gz UCKCIRXYBZKVPX-MXWKQRLJSA-N 1 2 289.339 0.217 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)Cc1c[nH+]cn1C ZINC000989674862 633342433 /nfs/dbraw/zinc/34/24/33/633342433.db2.gz CQPVLFQITXWXRD-QWRGUYRKSA-N 1 2 261.329 0.065 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1sccc1C#N ZINC000898884718 633680942 /nfs/dbraw/zinc/68/09/42/633680942.db2.gz SVHVJERTNCTOMN-SECBINFHSA-N 1 2 276.321 0.817 20 30 CCEDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)cc(C)c1C#N ZINC000906043855 634951941 /nfs/dbraw/zinc/95/19/41/634951941.db2.gz FZVZASVSZJQHOX-UHFFFAOYSA-N 1 2 287.363 0.925 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089243 635074366 /nfs/dbraw/zinc/07/43/66/635074366.db2.gz KSSDYLAMJYUBRW-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089243 635074370 /nfs/dbraw/zinc/07/43/70/635074370.db2.gz KSSDYLAMJYUBRW-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc(C#CCO)c1 ZINC000911573203 636295424 /nfs/dbraw/zinc/29/54/24/636295424.db2.gz ZAEKBZYZTXYDJO-HNNXBMFYSA-N 1 2 295.342 0.972 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668340 650251534 /nfs/dbraw/zinc/25/15/34/650251534.db2.gz KRKYVJNOOMMINB-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668340 650251538 /nfs/dbraw/zinc/25/15/38/650251538.db2.gz KRKYVJNOOMMINB-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1c[nH+]cn1C ZINC000993634038 637828566 /nfs/dbraw/zinc/82/85/66/637828566.db2.gz XDECZRVNQFDGBE-MVWJERBFSA-N 1 2 289.339 0.010 20 30 CCEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1CC#N ZINC000993886001 637851866 /nfs/dbraw/zinc/85/18/66/637851866.db2.gz KYJVZPAVDNPWKH-CMPLNLGQSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1CC#N ZINC000994504029 637953273 /nfs/dbraw/zinc/95/32/73/637953273.db2.gz GEBQQEAIIOHTQF-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC000939622502 638384760 /nfs/dbraw/zinc/38/47/60/638384760.db2.gz LSSKRVJZFXYSHK-BXKDBHETSA-N 1 2 261.329 0.221 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809333 638795301 /nfs/dbraw/zinc/79/53/01/638795301.db2.gz SRIXXXZURMRHMD-RYUDHWBXSA-N 1 2 261.329 0.233 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001015076635 650526392 /nfs/dbraw/zinc/52/63/92/650526392.db2.gz HQBKZWGMDOPOGA-LBPRGKRZSA-N 1 2 295.342 0.965 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001015076635 650526394 /nfs/dbraw/zinc/52/63/94/650526394.db2.gz HQBKZWGMDOPOGA-LBPRGKRZSA-N 1 2 295.342 0.965 20 30 CCEDLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)OCc2cncc(C#N)c2)O1 ZINC000922883171 639818547 /nfs/dbraw/zinc/81/85/47/639818547.db2.gz QILIBTMTRGUBAM-ZWNOBZJWSA-N 1 2 275.308 0.716 20 30 CCEDLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)OCc2cncc(C#N)c2)O1 ZINC000922883171 639818551 /nfs/dbraw/zinc/81/85/51/639818551.db2.gz QILIBTMTRGUBAM-ZWNOBZJWSA-N 1 2 275.308 0.716 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001015372413 650559255 /nfs/dbraw/zinc/55/92/55/650559255.db2.gz VJEJWZMCCMPCIA-LLVKDONJSA-N 1 2 297.790 0.784 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001015372413 650559258 /nfs/dbraw/zinc/55/92/58/650559258.db2.gz VJEJWZMCCMPCIA-LLVKDONJSA-N 1 2 297.790 0.784 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000809576014 640900083 /nfs/dbraw/zinc/90/00/83/640900083.db2.gz ORDVFJIXUFEZDW-KGLIPLIRSA-N 1 2 273.336 0.998 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000809576014 640900088 /nfs/dbraw/zinc/90/00/88/640900088.db2.gz ORDVFJIXUFEZDW-KGLIPLIRSA-N 1 2 273.336 0.998 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)COc1cccc(C#N)c1 ZINC000810753971 640948854 /nfs/dbraw/zinc/94/88/54/640948854.db2.gz LEWZNGMADRNUDV-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO C[C@@H](O)CNN=Cc1ccc(C=[NH+]NC[C@H](C)O)cc1 ZINC000814962725 641085575 /nfs/dbraw/zinc/08/55/75/641085575.db2.gz SGFGCGFOJNHIIG-TXEJJXNPSA-N 1 2 278.356 0.295 20 30 CCEDLO C[C@@H](O)CN[NH+]=Cc1ccc(C=NNC[C@H](C)O)cc1 ZINC000814962725 641085580 /nfs/dbraw/zinc/08/55/80/641085580.db2.gz SGFGCGFOJNHIIG-TXEJJXNPSA-N 1 2 278.356 0.295 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835020 650636533 /nfs/dbraw/zinc/63/65/33/650636533.db2.gz PKNQURVGXNNKNT-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835020 650636534 /nfs/dbraw/zinc/63/65/34/650636534.db2.gz PKNQURVGXNNKNT-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016021747 650675482 /nfs/dbraw/zinc/67/54/82/650675482.db2.gz AIYRFNYKINTYGR-ZJUUUORDSA-N 1 2 271.748 0.208 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016021747 650675488 /nfs/dbraw/zinc/67/54/88/650675488.db2.gz AIYRFNYKINTYGR-ZJUUUORDSA-N 1 2 271.748 0.208 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1N ZINC000824816520 641846762 /nfs/dbraw/zinc/84/67/62/641846762.db2.gz BAAAEDARIRFMRE-LLVKDONJSA-N 1 2 259.313 0.994 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CC[N@H+]2C2CCCC2)c1N ZINC000824816520 641846763 /nfs/dbraw/zinc/84/67/63/641846763.db2.gz BAAAEDARIRFMRE-LLVKDONJSA-N 1 2 259.313 0.994 20 30 CCEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000827377996 642002808 /nfs/dbraw/zinc/00/28/08/642002808.db2.gz JTUYUZNINJRYIV-WCQYABFASA-N 1 2 278.377 0.935 20 30 CCEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000827377996 642002813 /nfs/dbraw/zinc/00/28/13/642002813.db2.gz JTUYUZNINJRYIV-WCQYABFASA-N 1 2 278.377 0.935 20 30 CCEDLO Cc1ccc(Cl)c2c1NC(=O)C2=NNC1=[NH+]CCN1 ZINC000841658597 642828267 /nfs/dbraw/zinc/82/82/67/642828267.db2.gz GKYUFNJIJLGHEH-UHFFFAOYSA-N 1 2 277.715 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001017494454 650806380 /nfs/dbraw/zinc/80/63/80/650806380.db2.gz POFJEGHOAAOYDY-OKILXGFUSA-N 1 2 260.337 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001017494454 650806382 /nfs/dbraw/zinc/80/63/82/650806382.db2.gz POFJEGHOAAOYDY-OKILXGFUSA-N 1 2 260.337 0.642 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCCC4(C3)OCCO4)cnc12 ZINC000843405893 643048615 /nfs/dbraw/zinc/04/86/15/643048615.db2.gz SNKBRDGJHWTLOD-UHFFFAOYSA-N 1 2 299.334 0.940 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCCC4(C3)OCCO4)cnc12 ZINC000843405893 643048630 /nfs/dbraw/zinc/04/86/30/643048630.db2.gz SNKBRDGJHWTLOD-UHFFFAOYSA-N 1 2 299.334 0.940 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCNC1=O ZINC001017637620 650814722 /nfs/dbraw/zinc/81/47/22/650814722.db2.gz FQXKASGVZCIXMP-MJBXVCDLSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCNC1=O ZINC001017637620 650814725 /nfs/dbraw/zinc/81/47/25/650814725.db2.gz FQXKASGVZCIXMP-MJBXVCDLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001017679189 650817218 /nfs/dbraw/zinc/81/72/18/650817218.db2.gz BIECABZBSUDXOL-BMFZPTHFSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001017679189 650817221 /nfs/dbraw/zinc/81/72/21/650817221.db2.gz BIECABZBSUDXOL-BMFZPTHFSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001017679189 650817223 /nfs/dbraw/zinc/81/72/23/650817223.db2.gz BIECABZBSUDXOL-BMFZPTHFSA-N 1 2 298.390 0.754 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)n1 ZINC001017727311 650819213 /nfs/dbraw/zinc/81/92/13/650819213.db2.gz UNSUDFCPSYBHPK-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)n1 ZINC001017727311 650819215 /nfs/dbraw/zinc/81/92/15/650819215.db2.gz UNSUDFCPSYBHPK-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001017758890 650820610 /nfs/dbraw/zinc/82/06/10/650820610.db2.gz JDYFRTUIALKVBR-LXTVHRRPSA-N 1 2 298.390 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001017758890 650820613 /nfs/dbraw/zinc/82/06/13/650820613.db2.gz JDYFRTUIALKVBR-LXTVHRRPSA-N 1 2 298.390 0.832 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1CC1 ZINC000844452772 643218642 /nfs/dbraw/zinc/21/86/42/643218642.db2.gz NMRFXMPFRQWCNH-JFGNBEQYSA-N 1 2 269.295 0.992 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1CC1 ZINC000844452772 643218648 /nfs/dbraw/zinc/21/86/48/643218648.db2.gz NMRFXMPFRQWCNH-JFGNBEQYSA-N 1 2 269.295 0.992 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017787344 650822519 /nfs/dbraw/zinc/82/25/19/650822519.db2.gz RIPHOLCXFLNNDJ-TXEJJXNPSA-N 1 2 273.340 0.425 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017787344 650822521 /nfs/dbraw/zinc/82/25/21/650822521.db2.gz RIPHOLCXFLNNDJ-TXEJJXNPSA-N 1 2 273.340 0.425 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)cn1 ZINC001018178690 650846957 /nfs/dbraw/zinc/84/69/57/650846957.db2.gz SEJRQROWMYWEEG-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)cn1 ZINC001018178690 650846958 /nfs/dbraw/zinc/84/69/58/650846958.db2.gz SEJRQROWMYWEEG-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018335787 650853494 /nfs/dbraw/zinc/85/34/94/650853494.db2.gz ZEKFAAPIRCASOG-BETUJISGSA-N 1 2 258.325 0.192 20 30 CCEDLO Cc1nnc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)n1C ZINC000853432205 644105079 /nfs/dbraw/zinc/10/50/79/644105079.db2.gz PWRUGNXYQKFBME-JTQLQIEISA-N 1 2 262.317 0.676 20 30 CCEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)NCCC#N)C2 ZINC000854056750 644173062 /nfs/dbraw/zinc/17/30/62/644173062.db2.gz RUMQMRTYDKOHFW-UHFFFAOYSA-N 1 2 289.383 0.834 20 30 CCEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)NCCC#N)C2 ZINC000854056750 644173067 /nfs/dbraw/zinc/17/30/67/644173067.db2.gz RUMQMRTYDKOHFW-UHFFFAOYSA-N 1 2 289.383 0.834 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018826325 650913016 /nfs/dbraw/zinc/91/30/16/650913016.db2.gz CKHAEJZRSGUJNA-NSHDSACASA-N 1 2 276.365 0.642 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056037 650934075 /nfs/dbraw/zinc/93/40/75/650934075.db2.gz HVXSXXXJBUCSDT-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO O=S1(=O)CCC[C@H](NN=Cc2cccc3[nH+]ccn32)C1 ZINC000863132818 645061933 /nfs/dbraw/zinc/06/19/33/645061933.db2.gz GAXBWDDXSBRERS-NSHDSACASA-N 1 2 292.364 0.835 20 30 CCEDLO N#C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCOC1 ZINC000864413385 645223167 /nfs/dbraw/zinc/22/31/67/645223167.db2.gz JYUSXNOAVOKQKG-CYBMUJFWSA-N 1 2 262.313 0.710 20 30 CCEDLO N#CCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499069 647067286 /nfs/dbraw/zinc/06/72/86/647067286.db2.gz IMSMMRWJRSVBKR-CYBMUJFWSA-N 1 2 285.351 0.506 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499069 647067292 /nfs/dbraw/zinc/06/72/92/647067292.db2.gz IMSMMRWJRSVBKR-CYBMUJFWSA-N 1 2 285.351 0.506 20 30 CCEDLO Cc1nc(C#N)cc(N(C)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000882278720 647391912 /nfs/dbraw/zinc/39/19/12/647391912.db2.gz TWVNAVMWQZUUOH-LLVKDONJSA-N 1 2 275.356 0.814 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000930866617 648918816 /nfs/dbraw/zinc/91/88/16/648918816.db2.gz DSRLAISLADJQDE-GHMZBOCLSA-N 1 2 253.346 0.904 20 30 CCEDLO N#Cc1ccsc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000931842672 649031005 /nfs/dbraw/zinc/03/10/05/649031005.db2.gz KUOGDOXXETVIJJ-UHFFFAOYSA-N 1 2 280.353 0.762 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000932109978 649049566 /nfs/dbraw/zinc/04/95/66/649049566.db2.gz KSSOYNYNIHFFLN-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000932109978 649049567 /nfs/dbraw/zinc/04/95/67/649049567.db2.gz KSSOYNYNIHFFLN-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154539 649054211 /nfs/dbraw/zinc/05/42/11/649054211.db2.gz KGFGNJPYRLBMPI-WFASDCNBSA-N 1 2 273.336 0.595 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154539 649054213 /nfs/dbraw/zinc/05/42/13/649054213.db2.gz KGFGNJPYRLBMPI-WFASDCNBSA-N 1 2 273.336 0.595 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932825880 649093686 /nfs/dbraw/zinc/09/36/86/649093686.db2.gz RKNPYWKTSVDYPK-UHFFFAOYSA-N 1 2 279.262 0.263 20 30 CCEDLO N#CCN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000933237488 649114384 /nfs/dbraw/zinc/11/43/84/649114384.db2.gz WJRJYXLLMCXGNN-UHFFFAOYSA-N 1 2 269.308 0.844 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NC2CC2)cc1 ZINC000048838309 649326832 /nfs/dbraw/zinc/32/68/32/649326832.db2.gz SCQHEKJYKAORPN-UHFFFAOYSA-N 1 2 277.324 0.805 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000253077024 649839376 /nfs/dbraw/zinc/83/93/76/649839376.db2.gz RTHDVBDPEYHQMI-KGLIPLIRSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000253077024 649839377 /nfs/dbraw/zinc/83/93/77/649839377.db2.gz RTHDVBDPEYHQMI-KGLIPLIRSA-N 1 2 262.309 0.285 20 30 CCEDLO CNC(=O)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230552432 805622332 /nfs/dbraw/zinc/62/23/32/805622332.db2.gz PAMNBELIKPTAGN-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CNC(=O)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230552432 805622336 /nfs/dbraw/zinc/62/23/36/805622336.db2.gz PAMNBELIKPTAGN-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266254925 790336587 /nfs/dbraw/zinc/33/65/87/790336587.db2.gz AAXLWCHQRGJTOC-CYBMUJFWSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266254925 790336601 /nfs/dbraw/zinc/33/66/01/790336601.db2.gz AAXLWCHQRGJTOC-CYBMUJFWSA-N 1 2 279.384 0.693 20 30 CCEDLO C#CCCCCCC(=O)NCC[NH+]1CCN(CC#C)CC1 ZINC001266289866 790428202 /nfs/dbraw/zinc/42/82/02/790428202.db2.gz FTTLZNOXEZITPO-UHFFFAOYSA-N 1 2 289.423 0.937 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccco3)[C@H]2C1 ZINC001083191042 790459530 /nfs/dbraw/zinc/45/95/30/790459530.db2.gz IYBFTYHJNBHRFE-VNHYZAJKSA-N 1 2 288.347 0.928 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccco3)[C@H]2C1 ZINC001083191042 790459534 /nfs/dbraw/zinc/45/95/34/790459534.db2.gz IYBFTYHJNBHRFE-VNHYZAJKSA-N 1 2 288.347 0.928 20 30 CCEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001266315701 790492351 /nfs/dbraw/zinc/49/23/51/790492351.db2.gz BIKBSFWQGRKELG-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001266315701 790492355 /nfs/dbraw/zinc/49/23/55/790492355.db2.gz BIKBSFWQGRKELG-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001266314847 790490275 /nfs/dbraw/zinc/49/02/75/790490275.db2.gz LFVNOYJNVOCRRW-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001266314847 790490280 /nfs/dbraw/zinc/49/02/80/790490280.db2.gz LFVNOYJNVOCRRW-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001266319713 790500029 /nfs/dbraw/zinc/50/00/29/790500029.db2.gz QQOIDJBQHFZHIN-KIWPFMIBSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001266319713 790500035 /nfs/dbraw/zinc/50/00/35/790500035.db2.gz QQOIDJBQHFZHIN-KIWPFMIBSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209266369 790591791 /nfs/dbraw/zinc/59/17/91/790591791.db2.gz VGVZSOXFWUYOTA-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209266369 790591796 /nfs/dbraw/zinc/59/17/96/790591796.db2.gz VGVZSOXFWUYOTA-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CC4)[C@H]2C1 ZINC001083203220 790888686 /nfs/dbraw/zinc/88/86/86/790888686.db2.gz HNQCFPYWGHAHQL-RWMBFGLXSA-N 1 2 260.337 0.331 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CC4)[C@H]2C1 ZINC001083203220 790888692 /nfs/dbraw/zinc/88/86/92/790888692.db2.gz HNQCFPYWGHAHQL-RWMBFGLXSA-N 1 2 260.337 0.331 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)COCC ZINC001230694356 805649941 /nfs/dbraw/zinc/64/99/41/805649941.db2.gz BJDCDWIJQRKMGB-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)COCC ZINC001230694356 805649945 /nfs/dbraw/zinc/64/99/45/805649945.db2.gz BJDCDWIJQRKMGB-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230788532 805666001 /nfs/dbraw/zinc/66/60/01/805666001.db2.gz QMRHBQRBTIXLLH-LBPRGKRZSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230788532 805666004 /nfs/dbraw/zinc/66/60/04/805666004.db2.gz QMRHBQRBTIXLLH-LBPRGKRZSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803124 805669502 /nfs/dbraw/zinc/66/95/02/805669502.db2.gz VDXRXPSXAYWKHW-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803124 805669507 /nfs/dbraw/zinc/66/95/07/805669507.db2.gz VDXRXPSXAYWKHW-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001231062406 805720253 /nfs/dbraw/zinc/72/02/53/805720253.db2.gz PNJNXKUYPATPRD-ZIAGYGMSSA-N 1 2 280.368 0.205 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001231062406 805720260 /nfs/dbraw/zinc/72/02/60/805720260.db2.gz PNJNXKUYPATPRD-ZIAGYGMSSA-N 1 2 280.368 0.205 20 30 CCEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231104346 805730533 /nfs/dbraw/zinc/73/05/33/805730533.db2.gz XLYLQGWSGIDSIC-KGLIPLIRSA-N 1 2 282.384 0.594 20 30 CCEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231104346 805730539 /nfs/dbraw/zinc/73/05/39/805730539.db2.gz XLYLQGWSGIDSIC-KGLIPLIRSA-N 1 2 282.384 0.594 20 30 CCEDLO CC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231104350 805731328 /nfs/dbraw/zinc/73/13/28/805731328.db2.gz XLYLQGWSGIDSIC-ZIAGYGMSSA-N 1 2 282.384 0.594 20 30 CCEDLO CC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231104350 805731333 /nfs/dbraw/zinc/73/13/33/805731333.db2.gz XLYLQGWSGIDSIC-ZIAGYGMSSA-N 1 2 282.384 0.594 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231215404 805752734 /nfs/dbraw/zinc/75/27/34/805752734.db2.gz GEQKQGUCUCVRQQ-UONOGXRCSA-N 1 2 282.384 0.451 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231215404 805752739 /nfs/dbraw/zinc/75/27/39/805752739.db2.gz GEQKQGUCUCVRQQ-UONOGXRCSA-N 1 2 282.384 0.451 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249462 805762212 /nfs/dbraw/zinc/76/22/12/805762212.db2.gz ZYXNAUCONUNZKS-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249462 805762221 /nfs/dbraw/zinc/76/22/21/805762221.db2.gz ZYXNAUCONUNZKS-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231378635 805784106 /nfs/dbraw/zinc/78/41/06/805784106.db2.gz SWWIUDUZQPAPSU-CQSZACIVSA-N 1 2 290.367 0.135 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231378635 805784109 /nfs/dbraw/zinc/78/41/09/805784109.db2.gz SWWIUDUZQPAPSU-CQSZACIVSA-N 1 2 290.367 0.135 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001277570542 805858799 /nfs/dbraw/zinc/85/87/99/805858799.db2.gz LLJRRMBYBWRLLJ-JSGCOSHPSA-N 1 2 282.384 0.899 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2cc(C#N)ccn2)C1 ZINC001232479796 805945789 /nfs/dbraw/zinc/94/57/89/805945789.db2.gz YQVIPMHKHWOOKF-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(C#N)ccn2)C1 ZINC001232479796 805945793 /nfs/dbraw/zinc/94/57/93/805945793.db2.gz YQVIPMHKHWOOKF-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC001232673458 805967702 /nfs/dbraw/zinc/96/77/02/805967702.db2.gz HAJWSJWYWDPTRN-BXUZGUMPSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC001232673458 805967706 /nfs/dbraw/zinc/96/77/06/805967706.db2.gz HAJWSJWYWDPTRN-BXUZGUMPSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ncncn3)CC2)c1 ZINC001232682056 805968735 /nfs/dbraw/zinc/96/87/35/805968735.db2.gz ZFJZWZOFFZSGHU-UHFFFAOYSA-N 1 2 296.334 0.771 20 30 CCEDLO CN1CC[N@H+](Cc2cc(C#N)ccc2O)CCC1=O ZINC001232679765 805969383 /nfs/dbraw/zinc/96/93/83/805969383.db2.gz RRBXRTFQAVGGQG-UHFFFAOYSA-N 1 2 259.309 0.928 20 30 CCEDLO CN1CC[N@@H+](Cc2cc(C#N)ccc2O)CCC1=O ZINC001232679765 805969389 /nfs/dbraw/zinc/96/93/89/805969389.db2.gz RRBXRTFQAVGGQG-UHFFFAOYSA-N 1 2 259.309 0.928 20 30 CCEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(N)=O)CC2)c1 ZINC001232674326 805970081 /nfs/dbraw/zinc/97/00/81/805970081.db2.gz WQJUVACIADWKKK-UHFFFAOYSA-N 1 2 274.324 0.897 20 30 CCEDLO N#Cc1ccc(O)c(C[NH+]2CC(N3CCOCC3)C2)c1 ZINC001232680001 805970224 /nfs/dbraw/zinc/97/02/24/805970224.db2.gz WOTTWKCTNKWQIS-UHFFFAOYSA-N 1 2 273.336 0.780 20 30 CCEDLO CC1(C)CN(Cc2cccc(C#N)n2)CC[N@@H+]1CC(N)=O ZINC001232925709 805996851 /nfs/dbraw/zinc/99/68/51/805996851.db2.gz LXHLFUVOFDUIKL-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2cccc(C#N)n2)CC[N@H+]1CC(N)=O ZINC001232925709 805996858 /nfs/dbraw/zinc/99/68/58/805996858.db2.gz LXHLFUVOFDUIKL-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO N#Cc1cnc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)nc1 ZINC001277736811 805998214 /nfs/dbraw/zinc/99/82/14/805998214.db2.gz SPKVGYQPIDCMLA-UHFFFAOYSA-N 1 2 281.323 0.394 20 30 CCEDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(F)c1C#N ZINC001233098758 806018727 /nfs/dbraw/zinc/01/87/27/806018727.db2.gz NDIBBHKKTKYVSQ-LBPRGKRZSA-N 1 2 293.342 0.956 20 30 CCEDLO CN(C)c1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(F)c1C#N ZINC001233098758 806018734 /nfs/dbraw/zinc/01/87/34/806018734.db2.gz NDIBBHKKTKYVSQ-LBPRGKRZSA-N 1 2 293.342 0.956 20 30 CCEDLO Cc1nc(C#N)cc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000308322808 791232402 /nfs/dbraw/zinc/23/24/02/791232402.db2.gz CPCJZHVCWRDMAN-SNVBAGLBSA-N 1 2 261.329 0.789 20 30 CCEDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1O ZINC001233386669 806052046 /nfs/dbraw/zinc/05/20/46/806052046.db2.gz CQCACWQFTIIRSX-UHFFFAOYSA-N 1 2 288.395 0.943 20 30 CCEDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1[O-] ZINC001233386669 806052052 /nfs/dbraw/zinc/05/20/52/806052052.db2.gz CQCACWQFTIIRSX-UHFFFAOYSA-N 1 2 288.395 0.943 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001233388395 806056372 /nfs/dbraw/zinc/05/63/72/806056372.db2.gz YBJYPNZVJAREFI-UHFFFAOYSA-N 1 2 296.334 0.771 20 30 CCEDLO C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)NCC#N ZINC001266941291 791376309 /nfs/dbraw/zinc/37/63/09/791376309.db2.gz QIPZPZUFNRGFDT-MFKMUULPSA-N 1 2 290.371 0.408 20 30 CCEDLO C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)NCC#N ZINC001266941291 791376312 /nfs/dbraw/zinc/37/63/12/791376312.db2.gz QIPZPZUFNRGFDT-MFKMUULPSA-N 1 2 290.371 0.408 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(C)coc1C ZINC001267194717 791655768 /nfs/dbraw/zinc/65/57/68/791655768.db2.gz DWFWFNUAPYZLRM-UHFFFAOYSA-N 1 2 293.367 0.860 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(C)coc1C ZINC001267194717 791655772 /nfs/dbraw/zinc/65/57/72/791655772.db2.gz DWFWFNUAPYZLRM-UHFFFAOYSA-N 1 2 293.367 0.860 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](CC)O1 ZINC001267197361 791658132 /nfs/dbraw/zinc/65/81/32/791658132.db2.gz LFZOXWNZTNJCQD-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H](CC)O1 ZINC001267197361 791658137 /nfs/dbraw/zinc/65/81/37/791658137.db2.gz LFZOXWNZTNJCQD-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571129 806084404 /nfs/dbraw/zinc/08/44/04/806084404.db2.gz SICBEUKXYSBXKO-LPEQCFEDSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571129 806084411 /nfs/dbraw/zinc/08/44/11/806084411.db2.gz SICBEUKXYSBXKO-LPEQCFEDSA-N 1 2 291.395 0.623 20 30 CCEDLO C[N@H+](CCNC(=O)C1(C)CC=CC1)CC(=O)NCC#N ZINC001267215347 791684980 /nfs/dbraw/zinc/68/49/80/791684980.db2.gz KIQUYKUQCDUHGH-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO C[N@@H+](CCNC(=O)C1(C)CC=CC1)CC(=O)NCC#N ZINC001267215347 791684986 /nfs/dbraw/zinc/68/49/86/791684986.db2.gz KIQUYKUQCDUHGH-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233663021 806103863 /nfs/dbraw/zinc/10/38/63/806103863.db2.gz IXPBQIRHOIIOOC-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233663021 806103868 /nfs/dbraw/zinc/10/38/68/806103868.db2.gz IXPBQIRHOIIOOC-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1 ZINC001277810667 806128481 /nfs/dbraw/zinc/12/84/81/806128481.db2.gz OOKFICSIJSWDDY-ZWNOBZJWSA-N 1 2 298.412 0.802 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233948266 806155435 /nfs/dbraw/zinc/15/54/35/806155435.db2.gz UEZFAPIOJDCRPM-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233948266 806155443 /nfs/dbraw/zinc/15/54/43/806155443.db2.gz UEZFAPIOJDCRPM-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196853 806201966 /nfs/dbraw/zinc/20/19/66/806201966.db2.gz WBHOYGSPCBHUNN-ZIAGYGMSSA-N 1 2 289.379 0.163 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196853 806201974 /nfs/dbraw/zinc/20/19/74/806201974.db2.gz WBHOYGSPCBHUNN-ZIAGYGMSSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001234266710 806212221 /nfs/dbraw/zinc/21/22/21/806212221.db2.gz SQLWYKUYZSSANN-CABCVRRESA-N 1 2 292.379 0.207 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001234266710 806212227 /nfs/dbraw/zinc/21/22/27/806212227.db2.gz SQLWYKUYZSSANN-CABCVRRESA-N 1 2 292.379 0.207 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCO ZINC001235454545 806426623 /nfs/dbraw/zinc/42/66/23/806426623.db2.gz QQHKTAZIUUIMSH-LBPRGKRZSA-N 1 2 266.345 0.299 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCO ZINC001235454545 806426627 /nfs/dbraw/zinc/42/66/27/806426627.db2.gz QQHKTAZIUUIMSH-LBPRGKRZSA-N 1 2 266.345 0.299 20 30 CCEDLO C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278085179 806654144 /nfs/dbraw/zinc/65/41/44/806654144.db2.gz LGZKYFYVMFTZLL-SFYZADRCSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001278085179 806654148 /nfs/dbraw/zinc/65/41/48/806654148.db2.gz LGZKYFYVMFTZLL-SFYZADRCSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001278127554 806707238 /nfs/dbraw/zinc/70/72/38/806707238.db2.gz AKRGIWVNYWDCIN-LLVKDONJSA-N 1 2 295.387 0.282 20 30 CCEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001121357455 799035205 /nfs/dbraw/zinc/03/52/05/799035205.db2.gz NDJQYVOKLUVUPB-UHFFFAOYSA-N 1 2 258.329 0.599 20 30 CCEDLO C#CCN1CCN(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC001121361518 799036812 /nfs/dbraw/zinc/03/68/12/799036812.db2.gz QSEHDWSVFXRTQS-UHFFFAOYSA-N 1 2 288.399 0.166 20 30 CCEDLO C=CCN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001121392039 799041314 /nfs/dbraw/zinc/04/13/14/799041314.db2.gz RQPNXXNCPQIZBJ-UHFFFAOYSA-N 1 2 279.388 0.642 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123787839 799475121 /nfs/dbraw/zinc/47/51/21/799475121.db2.gz WNNZSBRFBYQBRA-UHFFFAOYSA-N 1 2 282.369 0.700 20 30 CCEDLO C#Cc1ccc(C(=O)NCCc2[nH+]ccn2C)nc1 ZINC001123922197 799505893 /nfs/dbraw/zinc/50/58/93/799505893.db2.gz WAQXQQPQYOZVMB-UHFFFAOYSA-N 1 2 254.293 0.769 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001123976728 799522240 /nfs/dbraw/zinc/52/22/40/799522240.db2.gz IHLCRALHVPIZKN-LBPRGKRZSA-N 1 2 278.356 0.785 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001123976728 799522243 /nfs/dbraw/zinc/52/22/43/799522243.db2.gz IHLCRALHVPIZKN-LBPRGKRZSA-N 1 2 278.356 0.785 20 30 CCEDLO Cc1nc(NC[C@H](O)CN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001124304585 799591943 /nfs/dbraw/zinc/59/19/43/799591943.db2.gz KQVRMIWVMYHZMG-ZDUSSCGKSA-N 1 2 290.367 0.676 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001124764951 799633878 /nfs/dbraw/zinc/63/38/78/799633878.db2.gz GGDNKZXCHVNWIO-SNVBAGLBSA-N 1 2 298.343 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001141974265 800053024 /nfs/dbraw/zinc/05/30/24/800053024.db2.gz LMNUPBXGOIDWFZ-UHFFFAOYSA-N 1 2 250.302 0.251 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001149681154 800290165 /nfs/dbraw/zinc/29/01/65/800290165.db2.gz IESKLXZBLVCACC-CYBMUJFWSA-N 1 2 270.348 0.822 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001149681154 800290171 /nfs/dbraw/zinc/29/01/71/800290171.db2.gz IESKLXZBLVCACC-CYBMUJFWSA-N 1 2 270.348 0.822 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001153097514 800595735 /nfs/dbraw/zinc/59/57/35/800595735.db2.gz NLMGPAAMNVDZBD-SECBINFHSA-N 1 2 268.317 0.175 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154000455 800702132 /nfs/dbraw/zinc/70/21/32/800702132.db2.gz BYLBWNIVBBNPLQ-GFCCVEGCSA-N 1 2 290.367 0.983 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001155860455 801067459 /nfs/dbraw/zinc/06/74/59/801067459.db2.gz LBOHTZKGNQBNGD-SECBINFHSA-N 1 2 277.328 0.703 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)cc2C#N)C[NH2+]1 ZINC001156242179 801137376 /nfs/dbraw/zinc/13/73/76/801137376.db2.gz CKGWDWUGYJGXNS-QWRGUYRKSA-N 1 2 271.280 0.140 20 30 CCEDLO COc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1C#N ZINC001157580801 801426705 /nfs/dbraw/zinc/42/67/05/801426705.db2.gz KGYXWMLPJQMYHE-LLVKDONJSA-N 1 2 289.339 0.632 20 30 CCEDLO COc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1C#N ZINC001157580801 801426711 /nfs/dbraw/zinc/42/67/11/801426711.db2.gz KGYXWMLPJQMYHE-LLVKDONJSA-N 1 2 289.339 0.632 20 30 CCEDLO N#CCc1cncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157586388 801427605 /nfs/dbraw/zinc/42/76/05/801427605.db2.gz YYHBQOKWTDKYRO-GFCCVEGCSA-N 1 2 273.340 0.818 20 30 CCEDLO N#CCc1cncc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157586388 801427608 /nfs/dbraw/zinc/42/76/08/801427608.db2.gz YYHBQOKWTDKYRO-GFCCVEGCSA-N 1 2 273.340 0.818 20 30 CCEDLO CN(C)S(=O)(=O)CCNc1cc(CC#N)cc[nH+]1 ZINC001158029304 801555965 /nfs/dbraw/zinc/55/59/65/801555965.db2.gz CHVJXDVNWMIDRU-UHFFFAOYSA-N 1 2 268.342 0.451 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654202 801679133 /nfs/dbraw/zinc/67/91/33/801679133.db2.gz RUERJIDJDPOMPU-GFCCVEGCSA-N 1 2 275.356 0.789 20 30 CCEDLO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(C)ncc1C#N ZINC001159452109 801809514 /nfs/dbraw/zinc/80/95/14/801809514.db2.gz AHJHMAGRYGSCLQ-UHFFFAOYSA-N 1 2 287.323 0.301 20 30 CCEDLO Cc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)c2c([nH+]1)CCC2 ZINC001160176425 801916590 /nfs/dbraw/zinc/91/65/90/801916590.db2.gz QVNZVXXRHDMXDD-CPCISQLKSA-N 1 2 262.313 0.922 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162683272 802391634 /nfs/dbraw/zinc/39/16/34/802391634.db2.gz CMYZUVSSKUCHIO-SNVBAGLBSA-N 1 2 272.312 0.271 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162683272 802391646 /nfs/dbraw/zinc/39/16/46/802391646.db2.gz CMYZUVSSKUCHIO-SNVBAGLBSA-N 1 2 272.312 0.271 20 30 CCEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001255169326 808326163 /nfs/dbraw/zinc/32/61/63/808326163.db2.gz DIYAZDFTBVUTQJ-AVGNSLFASA-N 1 2 292.383 0.442 20 30 CCEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001255169326 808326169 /nfs/dbraw/zinc/32/61/69/808326169.db2.gz DIYAZDFTBVUTQJ-AVGNSLFASA-N 1 2 292.383 0.442 20 30 CCEDLO C=CCS(=O)(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001259922542 808804546 /nfs/dbraw/zinc/80/45/46/808804546.db2.gz NEJXVAMMEBBADR-UHFFFAOYSA-N 1 2 297.384 0.156 20 30 CCEDLO C#CC[NH2+]CCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001163781948 802611112 /nfs/dbraw/zinc/61/11/12/802611112.db2.gz WYNZWXVUHXILJK-UHFFFAOYSA-N 1 2 283.335 0.814 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265280783 809745351 /nfs/dbraw/zinc/74/53/51/809745351.db2.gz FYKLOQJYYPZENE-CYBMUJFWSA-N 1 2 274.368 0.770 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265280783 809745355 /nfs/dbraw/zinc/74/53/55/809745355.db2.gz FYKLOQJYYPZENE-CYBMUJFWSA-N 1 2 274.368 0.770 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164223945 802691662 /nfs/dbraw/zinc/69/16/62/802691662.db2.gz YJMRKGBANHBSNV-QWRGUYRKSA-N 1 2 280.376 0.264 20 30 CCEDLO CCOC(=O)c1ccc(C)c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164625042 802773027 /nfs/dbraw/zinc/77/30/27/802773027.db2.gz GOBYNFQONFIMSV-LLVKDONJSA-N 1 2 274.324 0.869 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(Cl)c(C(N)=O)n1 ZINC001164641660 802773913 /nfs/dbraw/zinc/77/39/13/802773913.db2.gz NRCVYMBVTHCIRV-SSDOTTSWSA-N 1 2 265.704 0.136 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038363360 811761608 /nfs/dbraw/zinc/76/16/08/811761608.db2.gz MDHPDRHVQOFEAJ-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038363360 811761611 /nfs/dbraw/zinc/76/16/11/811761611.db2.gz MDHPDRHVQOFEAJ-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO COc1ccc(C[N@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)cc1C#N ZINC001083295806 811801814 /nfs/dbraw/zinc/80/18/14/811801814.db2.gz OQMAVHOSWKBHLA-KGLIPLIRSA-N 1 2 289.335 0.248 20 30 CCEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(C)=O)[C@@H](O)C2)cc1C#N ZINC001083295806 811801821 /nfs/dbraw/zinc/80/18/21/811801821.db2.gz OQMAVHOSWKBHLA-KGLIPLIRSA-N 1 2 289.335 0.248 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206365237 803235890 /nfs/dbraw/zinc/23/58/90/803235890.db2.gz TURRWWXYOGEUCU-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001206365237 803235893 /nfs/dbraw/zinc/23/58/93/803235893.db2.gz TURRWWXYOGEUCU-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C#CC[C@H](CO)[NH2+]Cc1snc(OC)c1C(=O)OC ZINC001207382134 803390224 /nfs/dbraw/zinc/39/02/24/803390224.db2.gz QILJSDIASZQZSC-MRVPVSSYSA-N 1 2 284.337 0.412 20 30 CCEDLO N#Cc1c(N)nn(-c2ccccc2C[NH+]2CCOCC2)c1N ZINC001209926307 803634978 /nfs/dbraw/zinc/63/49/78/803634978.db2.gz UVPRKIJHVKMPTD-UHFFFAOYSA-N 1 2 298.350 0.741 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213271278 803688265 /nfs/dbraw/zinc/68/82/65/803688265.db2.gz QPYMZYHDEYXESA-IJLUTSLNSA-N 1 2 297.399 0.149 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213271278 803688269 /nfs/dbraw/zinc/68/82/69/803688269.db2.gz QPYMZYHDEYXESA-IJLUTSLNSA-N 1 2 297.399 0.149 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213309438 803690664 /nfs/dbraw/zinc/69/06/64/803690664.db2.gz WEKVHWSUTGUGEX-CHWSQXEVSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213309438 803690665 /nfs/dbraw/zinc/69/06/65/803690665.db2.gz WEKVHWSUTGUGEX-CHWSQXEVSA-N 1 2 270.348 0.965 20 30 CCEDLO CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217185818 803877844 /nfs/dbraw/zinc/87/78/44/803877844.db2.gz WTKYHBPAFDFGQJ-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217185818 803877853 /nfs/dbraw/zinc/87/78/53/803877853.db2.gz WTKYHBPAFDFGQJ-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCCCC)[C@H]2C1 ZINC001217469134 803893163 /nfs/dbraw/zinc/89/31/63/803893163.db2.gz KQQHHEAJQDKWMI-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCCCC)[C@H]2C1 ZINC001217469134 803893172 /nfs/dbraw/zinc/89/31/72/803893172.db2.gz KQQHHEAJQDKWMI-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H](C)OC)[C@H]2C1 ZINC001217680868 803900945 /nfs/dbraw/zinc/90/09/45/803900945.db2.gz RIECZOYSUZGXGI-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H](C)OC)[C@H]2C1 ZINC001217680868 803900949 /nfs/dbraw/zinc/90/09/49/803900949.db2.gz RIECZOYSUZGXGI-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C(C)C)C1=O ZINC001276793079 804083599 /nfs/dbraw/zinc/08/35/99/804083599.db2.gz OORDYFQVABKFFI-STQMWFEESA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C(C)C)C1=O ZINC001276793079 804083610 /nfs/dbraw/zinc/08/36/10/804083610.db2.gz OORDYFQVABKFFI-STQMWFEESA-N 1 2 279.384 0.620 20 30 CCEDLO N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)ccc12 ZINC001219044767 804185725 /nfs/dbraw/zinc/18/57/25/804185725.db2.gz KFWUTNBLSRYPQK-JTQLQIEISA-N 1 2 296.294 0.061 20 30 CCEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)s1 ZINC001219378710 804289484 /nfs/dbraw/zinc/28/94/84/804289484.db2.gz CQRIDONNRBQHFD-AXTRIDKLSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)s1 ZINC001219378710 804289492 /nfs/dbraw/zinc/28/94/92/804289492.db2.gz CQRIDONNRBQHFD-AXTRIDKLSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)s1 ZINC001219378711 804289798 /nfs/dbraw/zinc/28/97/98/804289798.db2.gz CQRIDONNRBQHFD-FXAINCCUSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)s1 ZINC001219378711 804289804 /nfs/dbraw/zinc/28/98/04/804289804.db2.gz CQRIDONNRBQHFD-FXAINCCUSA-N 1 2 294.380 0.273 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219531921 804338453 /nfs/dbraw/zinc/33/84/53/804338453.db2.gz AJHRMIMHXHVONA-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219531921 804338462 /nfs/dbraw/zinc/33/84/62/804338462.db2.gz AJHRMIMHXHVONA-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219536151 804341229 /nfs/dbraw/zinc/34/12/29/804341229.db2.gz LVSZHUMTCYHUMU-XFMFVWPQSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219536151 804341237 /nfs/dbraw/zinc/34/12/37/804341237.db2.gz LVSZHUMTCYHUMU-XFMFVWPQSA-N 1 2 288.775 0.227 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220250745 804550386 /nfs/dbraw/zinc/55/03/86/804550386.db2.gz BRNPVNSOXMZZFJ-OLZOCXBDSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220250745 804550390 /nfs/dbraw/zinc/55/03/90/804550390.db2.gz BRNPVNSOXMZZFJ-OLZOCXBDSA-N 1 2 282.384 0.234 20 30 CCEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CSCN2)cc1 ZINC001220577031 804629635 /nfs/dbraw/zinc/62/96/35/804629635.db2.gz AVHFTOFFEDAWTB-JTQLQIEISA-N 1 2 293.348 0.368 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCC)[C@@H](O)C1 ZINC001220631640 804639011 /nfs/dbraw/zinc/63/90/11/804639011.db2.gz PYTCFQAWKNTFPC-UPJWGTAASA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCC)[C@@H](O)C1 ZINC001220631640 804639016 /nfs/dbraw/zinc/63/90/16/804639016.db2.gz PYTCFQAWKNTFPC-UPJWGTAASA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H](O)C1 ZINC001220864481 804683566 /nfs/dbraw/zinc/68/35/66/804683566.db2.gz NBNSPYCQTQPCBV-ZJUUUORDSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@@H](O)C1 ZINC001220864481 804683572 /nfs/dbraw/zinc/68/35/72/804683572.db2.gz NBNSPYCQTQPCBV-ZJUUUORDSA-N 1 2 274.311 0.462 20 30 CCEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221276515 804761803 /nfs/dbraw/zinc/76/18/03/804761803.db2.gz ASQLGPPUNCBCLO-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221276515 804761809 /nfs/dbraw/zinc/76/18/09/804761809.db2.gz ASQLGPPUNCBCLO-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221779541 804844867 /nfs/dbraw/zinc/84/48/67/804844867.db2.gz AAZQEQLPEKJBCZ-VXGBXAGGSA-N 1 2 265.357 0.361 20 30 CCEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221779541 804844874 /nfs/dbraw/zinc/84/48/74/804844874.db2.gz AAZQEQLPEKJBCZ-VXGBXAGGSA-N 1 2 265.357 0.361 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001222659557 804923536 /nfs/dbraw/zinc/92/35/36/804923536.db2.gz ZUECYFKIWDLJKS-JTQLQIEISA-N 1 2 277.328 0.557 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCN2CC#N)c[nH+]1 ZINC001276874420 804961096 /nfs/dbraw/zinc/96/10/96/804961096.db2.gz DRLVSHWUDWJRJM-LBPRGKRZSA-N 1 2 275.356 0.641 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCC(C)C)NC(C)=O ZINC001276985289 805062021 /nfs/dbraw/zinc/06/20/21/805062021.db2.gz AVNLKZPRGAHVHW-GJZGRUSLSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCC(C)C)NC(C)=O ZINC001276985289 805062031 /nfs/dbraw/zinc/06/20/31/805062031.db2.gz AVNLKZPRGAHVHW-GJZGRUSLSA-N 1 2 293.411 0.751 20 30 CCEDLO COc1ccnc(OC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001225567275 805141581 /nfs/dbraw/zinc/14/15/81/805141581.db2.gz UUNDXOWPTPQNNS-JTQLQIEISA-N 1 2 263.297 0.671 20 30 CCEDLO COc1ccnc(OC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001225567275 805141591 /nfs/dbraw/zinc/14/15/91/805141591.db2.gz UUNDXOWPTPQNNS-JTQLQIEISA-N 1 2 263.297 0.671 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1CC#N ZINC001088679852 815057114 /nfs/dbraw/zinc/05/71/14/815057114.db2.gz ZHPREPRZFHZDLG-UPJWGTAASA-N 1 2 287.367 0.548 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4[nH]cnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227534865 805362351 /nfs/dbraw/zinc/36/23/51/805362351.db2.gz PHZYSEVJUVQGSR-ZTEPNEHBSA-N 1 2 273.296 0.344 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4[nH]cnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227534865 805362359 /nfs/dbraw/zinc/36/23/59/805362359.db2.gz PHZYSEVJUVQGSR-ZTEPNEHBSA-N 1 2 273.296 0.344 20 30 CCEDLO C[N@@H+]1CCO[C@@H](COc2ccc(O)c(C#N)c2C#N)C1 ZINC001227623211 805374265 /nfs/dbraw/zinc/37/42/65/805374265.db2.gz PSCRPBUOXWRQKF-SNVBAGLBSA-N 1 2 273.292 0.845 20 30 CCEDLO C[N@H+]1CCO[C@@H](COc2ccc(O)c(C#N)c2C#N)C1 ZINC001227623211 805374274 /nfs/dbraw/zinc/37/42/74/805374274.db2.gz PSCRPBUOXWRQKF-SNVBAGLBSA-N 1 2 273.292 0.845 20 30 CCEDLO N#CC1(NC(=O)C23CC([NH2+]Cc4ccn[nH]4)(C2)C3)CCC1 ZINC001277341394 805489452 /nfs/dbraw/zinc/48/94/52/805489452.db2.gz AZOLADCPAQOWPO-UHFFFAOYSA-N 1 2 285.351 0.984 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCN(CC#N)CC1 ZINC001229558977 805542913 /nfs/dbraw/zinc/54/29/13/805542913.db2.gz MYCNAXQCELSJDO-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCN(CC#N)CC1 ZINC001229558977 805542920 /nfs/dbraw/zinc/54/29/20/805542920.db2.gz MYCNAXQCELSJDO-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO C=CC(N[C@@H]1COCCC12OCCO2)=[NH+]COC ZINC001168348824 815104099 /nfs/dbraw/zinc/10/40/99/815104099.db2.gz WSQHZXPYLJFMBR-SNVBAGLBSA-N 1 2 256.302 0.296 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001247615585 807469830 /nfs/dbraw/zinc/46/98/30/807469830.db2.gz XDHOYQJJNLHYOB-MNOVXSKESA-N 1 2 255.387 0.452 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001247615585 807469833 /nfs/dbraw/zinc/46/98/33/807469833.db2.gz XDHOYQJJNLHYOB-MNOVXSKESA-N 1 2 255.387 0.452 20 30 CCEDLO N#Cc1ccn2ncc(C[NH+]3CCN(C4COC4)CC3)c2c1 ZINC001249082103 807539585 /nfs/dbraw/zinc/53/95/85/807539585.db2.gz HHSHDUVMRYJZLT-UHFFFAOYSA-N 1 2 297.362 0.722 20 30 CCEDLO C[C@]1(CNCC#N)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001278588780 807606552 /nfs/dbraw/zinc/60/65/52/807606552.db2.gz ITIPEMQTDJHYJF-CYBMUJFWSA-N 1 2 261.329 0.235 20 30 CCEDLO N#C[C@@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001251002747 807635144 /nfs/dbraw/zinc/63/51/44/807635144.db2.gz VBPHFZUKLCVAAV-LSDHHAIUSA-N 1 2 275.352 0.534 20 30 CCEDLO N#Cc1ccc(F)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251026402 807646526 /nfs/dbraw/zinc/64/65/26/807646526.db2.gz QWLKYCNKEPPXAA-GFCCVEGCSA-N 1 2 279.315 0.802 20 30 CCEDLO CCC[C@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251042300 807653091 /nfs/dbraw/zinc/65/30/91/807653091.db2.gz VYRBWCYKAYNQRG-QWHCGFSZSA-N 1 2 255.362 0.351 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001126827944 815141199 /nfs/dbraw/zinc/14/11/99/815141199.db2.gz GWFHTYBMSNCGHB-UHFFFAOYSA-N 1 2 279.344 0.001 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001083480987 815149496 /nfs/dbraw/zinc/14/94/96/815149496.db2.gz LPNWLZYULIUXOB-KGLIPLIRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001083480987 815149498 /nfs/dbraw/zinc/14/94/98/815149498.db2.gz LPNWLZYULIUXOB-KGLIPLIRSA-N 1 2 290.338 0.932 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252470842 807881966 /nfs/dbraw/zinc/88/19/66/807881966.db2.gz REDUAIWDYBHTIU-RCWTZXSCSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252470842 807881973 /nfs/dbraw/zinc/88/19/73/807881973.db2.gz REDUAIWDYBHTIU-RCWTZXSCSA-N 1 2 281.274 0.954 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252551928 807907961 /nfs/dbraw/zinc/90/79/61/807907961.db2.gz DZFSAIHZSDXNQK-WCQYABFASA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252551928 807907965 /nfs/dbraw/zinc/90/79/65/807907965.db2.gz DZFSAIHZSDXNQK-WCQYABFASA-N 1 2 266.345 0.298 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001088793744 815164000 /nfs/dbraw/zinc/16/40/00/815164000.db2.gz QKQITHDMOAVOLO-VWYCJHECSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001088793744 815164003 /nfs/dbraw/zinc/16/40/03/815164003.db2.gz QKQITHDMOAVOLO-VWYCJHECSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001083499939 815169397 /nfs/dbraw/zinc/16/93/97/815169397.db2.gz WXVPGOXTPYYRGE-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001083499939 815169401 /nfs/dbraw/zinc/16/94/01/815169401.db2.gz WXVPGOXTPYYRGE-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278761891 808181258 /nfs/dbraw/zinc/18/12/58/808181258.db2.gz KFPMBPGIOVMDFQ-BDAKNGLRSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278761891 808181261 /nfs/dbraw/zinc/18/12/61/808181261.db2.gz KFPMBPGIOVMDFQ-BDAKNGLRSA-N 1 2 284.253 0.319 20 30 CCEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255597917 808412428 /nfs/dbraw/zinc/41/24/28/808412428.db2.gz LBVGNJVKUSODBV-VXGBXAGGSA-N 1 2 280.372 0.793 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H](O)C1 ZINC001083533731 815229029 /nfs/dbraw/zinc/22/90/29/815229029.db2.gz HFURJVWUIYVABC-HIFRSBDPSA-N 1 2 287.363 0.233 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H](O)C1 ZINC001083533731 815229033 /nfs/dbraw/zinc/22/90/33/815229033.db2.gz HFURJVWUIYVABC-HIFRSBDPSA-N 1 2 287.363 0.233 20 30 CCEDLO N#CC1(CC(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001261759392 809079493 /nfs/dbraw/zinc/07/94/93/809079493.db2.gz GFINQQHHKQNNMO-UHFFFAOYSA-N 1 2 262.313 0.710 20 30 CCEDLO C[C@H]1C[NH+](Cc2cnc(N(C)C)nc2)C[C@H](C)N1CC#N ZINC001262112327 809194017 /nfs/dbraw/zinc/19/40/17/809194017.db2.gz FWQVRXBOVVMLNO-STQMWFEESA-N 1 2 288.399 0.961 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C#CCO)c1 ZINC000380063821 809519216 /nfs/dbraw/zinc/51/92/16/809519216.db2.gz YRKJJPDYNVFAAN-UHFFFAOYSA-N 1 2 269.304 0.992 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1coc(C)n1 ZINC001264984999 809687557 /nfs/dbraw/zinc/68/75/57/809687557.db2.gz JSDBGZKNDPKLLV-LBPRGKRZSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1coc(C)n1 ZINC001264984999 809687562 /nfs/dbraw/zinc/68/75/62/809687562.db2.gz JSDBGZKNDPKLLV-LBPRGKRZSA-N 1 2 293.367 0.959 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001265226729 809728480 /nfs/dbraw/zinc/72/84/80/809728480.db2.gz JDTIZDHZZFIMTC-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001265226729 809728483 /nfs/dbraw/zinc/72/84/83/809728483.db2.gz JDTIZDHZZFIMTC-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCNC(=O)C#CC(C)C)o1 ZINC001265843041 809872451 /nfs/dbraw/zinc/87/24/51/809872451.db2.gz VBWWDQDKHODERJ-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCNC(=O)C#CC(C)C)o1 ZINC001265843041 809872456 /nfs/dbraw/zinc/87/24/56/809872456.db2.gz VBWWDQDKHODERJ-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001266209223 809963432 /nfs/dbraw/zinc/96/34/32/809963432.db2.gz LEEVWJXVNATCMC-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001266209223 809963437 /nfs/dbraw/zinc/96/34/37/809963437.db2.gz LEEVWJXVNATCMC-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001280413158 810016577 /nfs/dbraw/zinc/01/65/77/810016577.db2.gz XFWMTYPUAJKJFT-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001280413158 810016581 /nfs/dbraw/zinc/01/65/81/810016581.db2.gz XFWMTYPUAJKJFT-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCCF ZINC001280411867 810016899 /nfs/dbraw/zinc/01/68/99/810016899.db2.gz DPLFCTRODBUTDJ-LBPRGKRZSA-N 1 2 256.321 0.576 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCF ZINC001280411867 810016902 /nfs/dbraw/zinc/01/69/02/810016902.db2.gz DPLFCTRODBUTDJ-LBPRGKRZSA-N 1 2 256.321 0.576 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076755736 815365126 /nfs/dbraw/zinc/36/51/26/815365126.db2.gz NXFWERFOVZYTJD-CHWSQXEVSA-N 1 2 293.392 0.937 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076755736 815365132 /nfs/dbraw/zinc/36/51/32/815365132.db2.gz NXFWERFOVZYTJD-CHWSQXEVSA-N 1 2 293.392 0.937 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001076858102 815393091 /nfs/dbraw/zinc/39/30/91/815393091.db2.gz HQHJIMGIAUHUKO-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001076858102 815393096 /nfs/dbraw/zinc/39/30/96/815393096.db2.gz HQHJIMGIAUHUKO-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 ZINC001076917064 815411478 /nfs/dbraw/zinc/41/14/78/815411478.db2.gz ORISIMQSDWCAHL-ZYHUDNBSSA-N 1 2 277.324 0.138 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001076926278 815416445 /nfs/dbraw/zinc/41/64/45/815416445.db2.gz VBRBLSIBMPMBPX-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001076926278 815416447 /nfs/dbraw/zinc/41/64/47/815416447.db2.gz VBRBLSIBMPMBPX-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO CC(C)N(CC#N)CCCNC(=O)Cc1c[nH+]cn1C ZINC001267334741 811171363 /nfs/dbraw/zinc/17/13/63/811171363.db2.gz SHMABXXJZUPSLA-UHFFFAOYSA-N 1 2 277.372 0.703 20 30 CCEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001267400879 811280844 /nfs/dbraw/zinc/28/08/44/811280844.db2.gz GQIVQPRAKLNRDZ-OKILXGFUSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001267400879 811280850 /nfs/dbraw/zinc/28/08/50/811280850.db2.gz GQIVQPRAKLNRDZ-OKILXGFUSA-N 1 2 291.395 0.553 20 30 CCEDLO N#Cc1cncc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058557219 811311969 /nfs/dbraw/zinc/31/19/69/811311969.db2.gz XFEITFBKFVUIIR-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001077051642 815438745 /nfs/dbraw/zinc/43/87/45/815438745.db2.gz CINDHRPLYMZYJH-UMVBOHGHSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001077051642 815438749 /nfs/dbraw/zinc/43/87/49/815438749.db2.gz CINDHRPLYMZYJH-UMVBOHGHSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)ccn23)C1 ZINC001077045165 815439330 /nfs/dbraw/zinc/43/93/30/815439330.db2.gz ZCIBZXFAFTYRSM-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)ccn23)C1 ZINC001077045165 815439331 /nfs/dbraw/zinc/43/93/31/815439331.db2.gz ZCIBZXFAFTYRSM-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098591689 811419703 /nfs/dbraw/zinc/41/97/03/811419703.db2.gz MKRUJUKQFYVEBP-CYBMUJFWSA-N 1 2 261.329 0.184 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1nccnc1C#N ZINC001098168198 811508180 /nfs/dbraw/zinc/50/81/80/811508180.db2.gz WPYXFDNQARCZKG-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602048 811527491 /nfs/dbraw/zinc/52/74/91/811527491.db2.gz BEDSWAHZAVLCAI-GFCCVEGCSA-N 1 2 298.350 0.531 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104603953 811529506 /nfs/dbraw/zinc/52/95/06/811529506.db2.gz LAQYCISAQIDZPE-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001267645096 811611175 /nfs/dbraw/zinc/61/11/75/811611175.db2.gz LKNPJWHNXDXHRS-CQSZACIVSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604541 811632154 /nfs/dbraw/zinc/63/21/54/811632154.db2.gz RNPCWRIBXGXQAR-CQSZACIVSA-N 1 2 287.367 0.741 20 30 CCEDLO C#CCOCCC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001267681025 811647026 /nfs/dbraw/zinc/64/70/26/811647026.db2.gz GHJBFZLGSLETRT-UHFFFAOYSA-N 1 2 291.351 0.571 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001038340639 811652580 /nfs/dbraw/zinc/65/25/80/811652580.db2.gz RLYJOEDGUBHIKV-OCCSQVGLSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001038340639 811652586 /nfs/dbraw/zinc/65/25/86/811652586.db2.gz RLYJOEDGUBHIKV-OCCSQVGLSA-N 1 2 284.363 0.405 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001077235884 815466757 /nfs/dbraw/zinc/46/67/57/815466757.db2.gz AIWCXEUTKOFZPN-MGPQQGTHSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001077235884 815466760 /nfs/dbraw/zinc/46/67/60/815466760.db2.gz AIWCXEUTKOFZPN-MGPQQGTHSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077235884 815466764 /nfs/dbraw/zinc/46/67/64/815466764.db2.gz AIWCXEUTKOFZPN-MGPQQGTHSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077235884 815466767 /nfs/dbraw/zinc/46/67/67/815466767.db2.gz AIWCXEUTKOFZPN-MGPQQGTHSA-N 1 2 281.400 0.208 20 30 CCEDLO CN(CC#N)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267708045 811670232 /nfs/dbraw/zinc/67/02/32/811670232.db2.gz IUNIDDBBCPXEIJ-CQSZACIVSA-N 1 2 289.383 0.967 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267711163 811673318 /nfs/dbraw/zinc/67/33/18/811673318.db2.gz MMASAVUDZADXJL-PEBLQZBPSA-N 1 2 291.395 0.618 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267711163 811673321 /nfs/dbraw/zinc/67/33/21/811673321.db2.gz MMASAVUDZADXJL-PEBLQZBPSA-N 1 2 291.395 0.618 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001267718119 811680972 /nfs/dbraw/zinc/68/09/72/811680972.db2.gz ZAWSBHFQBNKHAB-RYUDHWBXSA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001267718119 811680977 /nfs/dbraw/zinc/68/09/77/811680977.db2.gz ZAWSBHFQBNKHAB-RYUDHWBXSA-N 1 2 291.351 0.774 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001267720070 811685371 /nfs/dbraw/zinc/68/53/71/811685371.db2.gz YBQUBMVUOMZVFY-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001267720070 811685377 /nfs/dbraw/zinc/68/53/77/811685377.db2.gz YBQUBMVUOMZVFY-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C/C(=C/C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267737345 811710097 /nfs/dbraw/zinc/71/00/97/811710097.db2.gz IATTYVYMBITLSM-BIRHUZIMSA-N 1 2 290.367 0.173 20 30 CCEDLO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267737345 811710103 /nfs/dbraw/zinc/71/01/03/811710103.db2.gz IATTYVYMBITLSM-BIRHUZIMSA-N 1 2 290.367 0.173 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001077277342 815470509 /nfs/dbraw/zinc/47/05/09/815470509.db2.gz UGUARGDNGAWTBS-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001077277342 815470512 /nfs/dbraw/zinc/47/05/12/815470512.db2.gz UGUARGDNGAWTBS-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC001083570626 815471293 /nfs/dbraw/zinc/47/12/93/815471293.db2.gz GYLCUIKBDFWDNO-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC001083570626 815471297 /nfs/dbraw/zinc/47/12/97/815471297.db2.gz GYLCUIKBDFWDNO-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001083295539 811799670 /nfs/dbraw/zinc/79/96/70/811799670.db2.gz AVEIVFSBSUKKRO-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001083295539 811799673 /nfs/dbraw/zinc/79/96/73/811799673.db2.gz AVEIVFSBSUKKRO-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]ccc3C)C2)nn1 ZINC001105223672 811865450 /nfs/dbraw/zinc/86/54/50/811865450.db2.gz CYWUHBFDSWZRHO-UHFFFAOYSA-N 1 2 298.350 0.335 20 30 CCEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001083300278 811875196 /nfs/dbraw/zinc/87/51/96/811875196.db2.gz HTAACQXBAHYUQR-SJORKVTESA-N 1 2 298.386 1.000 20 30 CCEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001083300278 811875201 /nfs/dbraw/zinc/87/52/01/811875201.db2.gz HTAACQXBAHYUQR-SJORKVTESA-N 1 2 298.386 1.000 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)s1 ZINC001083300368 811875832 /nfs/dbraw/zinc/87/58/32/811875832.db2.gz LYCYVSXTOHDUNO-OLZOCXBDSA-N 1 2 291.376 0.691 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)s1 ZINC001083300368 811875839 /nfs/dbraw/zinc/87/58/39/811875839.db2.gz LYCYVSXTOHDUNO-OLZOCXBDSA-N 1 2 291.376 0.691 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)CC)C2)nn1 ZINC001105299257 811898387 /nfs/dbraw/zinc/89/83/87/811898387.db2.gz NXJDLKIXLDHWMF-LBPRGKRZSA-N 1 2 279.319 0.132 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001038684614 811961885 /nfs/dbraw/zinc/96/18/85/811961885.db2.gz OVZMBAQDEDWMJB-NEPJUHHUSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001038684614 811961889 /nfs/dbraw/zinc/96/18/89/811961889.db2.gz OVZMBAQDEDWMJB-NEPJUHHUSA-N 1 2 272.352 0.653 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2nncs2)c[nH]1 ZINC001125994883 811972608 /nfs/dbraw/zinc/97/26/08/811972608.db2.gz OCKPOJIZCOHFDI-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001038511810 815498567 /nfs/dbraw/zinc/49/85/67/815498567.db2.gz RSVJLEUGNBCUKR-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001038511810 815498571 /nfs/dbraw/zinc/49/85/71/815498571.db2.gz RSVJLEUGNBCUKR-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1 ZINC001083318456 812166766 /nfs/dbraw/zinc/16/67/66/812166766.db2.gz SRJUFPNFYDXZPB-KGLIPLIRSA-N 1 2 276.311 0.624 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1 ZINC001083318456 812166772 /nfs/dbraw/zinc/16/67/72/812166772.db2.gz SRJUFPNFYDXZPB-KGLIPLIRSA-N 1 2 276.311 0.624 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027978666 812189550 /nfs/dbraw/zinc/18/95/50/812189550.db2.gz CAQORPGRYFKJDY-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109523 812284670 /nfs/dbraw/zinc/28/46/70/812284670.db2.gz JRFQCXKQSQGAMZ-VHSXEESVSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109523 812284677 /nfs/dbraw/zinc/28/46/77/812284677.db2.gz JRFQCXKQSQGAMZ-VHSXEESVSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CSC(C)C ZINC001268234359 812397883 /nfs/dbraw/zinc/39/78/83/812397883.db2.gz XDRMVYRLKKJXSI-UHFFFAOYSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CSC(C)C ZINC001268234359 812397891 /nfs/dbraw/zinc/39/78/91/812397891.db2.gz XDRMVYRLKKJXSI-UHFFFAOYSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](O)C1 ZINC001083595832 815523044 /nfs/dbraw/zinc/52/30/44/815523044.db2.gz UKRCVNAOLZYAAL-NEPJUHHUSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](O)C1 ZINC001083595832 815523047 /nfs/dbraw/zinc/52/30/47/815523047.db2.gz UKRCVNAOLZYAAL-NEPJUHHUSA-N 1 2 290.367 0.115 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CC[C@@H]2CCCO2)C1 ZINC001268245065 812410001 /nfs/dbraw/zinc/41/00/01/812410001.db2.gz CTGVDSPEVAJJOO-AWEZNQCLSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126365817 812684222 /nfs/dbraw/zinc/68/42/22/812684222.db2.gz NSIFLWOPPUQGFP-AWEZNQCLSA-N 1 2 294.355 0.480 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001083619324 815555479 /nfs/dbraw/zinc/55/54/79/815555479.db2.gz LISHATFHBAUOHF-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001083619324 815555483 /nfs/dbraw/zinc/55/54/83/815555483.db2.gz LISHATFHBAUOHF-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](O)C1 ZINC001083332019 812881244 /nfs/dbraw/zinc/88/12/44/812881244.db2.gz JBGBBQHZUCKXHQ-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](O)C1 ZINC001083332019 812881258 /nfs/dbraw/zinc/88/12/58/812881258.db2.gz JBGBBQHZUCKXHQ-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001127027269 815563842 /nfs/dbraw/zinc/56/38/42/815563842.db2.gz NOKYXAWNBSTQMV-UHFFFAOYSA-N 1 2 294.355 0.439 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001077431715 815568433 /nfs/dbraw/zinc/56/84/33/815568433.db2.gz SKGMERODYMETQG-VQJWOFKYSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001077431715 815568436 /nfs/dbraw/zinc/56/84/36/815568436.db2.gz SKGMERODYMETQG-VQJWOFKYSA-N 1 2 276.380 0.607 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641973 813103448 /nfs/dbraw/zinc/10/34/48/813103448.db2.gz NRKFSFALCCRFTR-QWHCGFSZSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001077435131 815580127 /nfs/dbraw/zinc/58/01/27/815580127.db2.gz ADDWGJIXZLOSTQ-ZIAGYGMSSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001077435131 815580134 /nfs/dbraw/zinc/58/01/34/815580134.db2.gz ADDWGJIXZLOSTQ-ZIAGYGMSSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCC1 ZINC001268955800 813157726 /nfs/dbraw/zinc/15/77/26/813157726.db2.gz OCGVXVDLFMQFBC-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCC1 ZINC001268955800 813157731 /nfs/dbraw/zinc/15/77/31/813157731.db2.gz OCGVXVDLFMQFBC-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCC ZINC001269221617 813273764 /nfs/dbraw/zinc/27/37/64/813273764.db2.gz ACPNXSGEGCTKKW-ZIAGYGMSSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC ZINC001269221617 813273771 /nfs/dbraw/zinc/27/37/71/813273771.db2.gz ACPNXSGEGCTKKW-ZIAGYGMSSA-N 1 2 293.411 0.895 20 30 CCEDLO CC[C@@H](C)OCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269223421 813277422 /nfs/dbraw/zinc/27/74/22/813277422.db2.gz NYCZUBGHSLVSPC-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO CC[C@@H](C)OCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269223421 813277426 /nfs/dbraw/zinc/27/74/26/813277426.db2.gz NYCZUBGHSLVSPC-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO CN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001269241900 813286733 /nfs/dbraw/zinc/28/67/33/813286733.db2.gz ZTBDBWDWZKAVLZ-CYBMUJFWSA-N 1 2 287.367 0.261 20 30 CCEDLO CN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001269241900 813286738 /nfs/dbraw/zinc/28/67/38/813286738.db2.gz ZTBDBWDWZKAVLZ-CYBMUJFWSA-N 1 2 287.367 0.261 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001269261475 813294877 /nfs/dbraw/zinc/29/48/77/813294877.db2.gz SHBCGRYNZPONIP-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001269261475 813294882 /nfs/dbraw/zinc/29/48/82/813294882.db2.gz SHBCGRYNZPONIP-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCN1CC[C@]2(CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001269289529 813309593 /nfs/dbraw/zinc/30/95/93/813309593.db2.gz FZQAURBMEBODKX-OAHLLOKOSA-N 1 2 286.335 0.110 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797540 813522060 /nfs/dbraw/zinc/52/20/60/813522060.db2.gz OWNYSEGPWJNDBC-NWDGAFQWSA-N 1 2 287.367 0.791 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001270509067 813790865 /nfs/dbraw/zinc/79/08/65/813790865.db2.gz YQNKFFNPRNBOPO-FRRDWIJNSA-N 1 2 281.356 0.299 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001270509067 813790869 /nfs/dbraw/zinc/79/08/69/813790869.db2.gz YQNKFFNPRNBOPO-FRRDWIJNSA-N 1 2 281.356 0.299 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(C)(C)F)C1 ZINC001270528645 813798015 /nfs/dbraw/zinc/79/80/15/813798015.db2.gz GFVVKYKPILACNA-AWEZNQCLSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(C)(C)F)C1 ZINC001270528645 813798022 /nfs/dbraw/zinc/79/80/22/813798022.db2.gz GFVVKYKPILACNA-AWEZNQCLSA-N 1 2 285.363 0.617 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001270599737 813831618 /nfs/dbraw/zinc/83/16/18/813831618.db2.gz MLFBMFIGVBNHEY-DGCLKSJQSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001270599737 813831627 /nfs/dbraw/zinc/83/16/27/813831627.db2.gz MLFBMFIGVBNHEY-DGCLKSJQSA-N 1 2 288.413 0.576 20 30 CCEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059283843 814064794 /nfs/dbraw/zinc/06/47/94/814064794.db2.gz NYJQBOQCXJPUKM-MGCOHNPYSA-N 1 2 297.322 0.373 20 30 CCEDLO N#CCCCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001271256180 814351314 /nfs/dbraw/zinc/35/13/14/814351314.db2.gz RPWCJJCALPWALD-UHFFFAOYSA-N 1 2 287.367 0.864 20 30 CCEDLO N#CCCCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001271256180 814351322 /nfs/dbraw/zinc/35/13/22/814351322.db2.gz RPWCJJCALPWALD-UHFFFAOYSA-N 1 2 287.367 0.864 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(CC=C)CCC2)C1 ZINC001271349465 814388451 /nfs/dbraw/zinc/38/84/51/814388451.db2.gz GKDKHMGTSAGYEY-UHFFFAOYSA-N 1 2 276.380 0.919 20 30 CCEDLO O=C(C#CC1CC1)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001271960179 814652214 /nfs/dbraw/zinc/65/22/14/814652214.db2.gz YUPPRLSPPNHOAG-CQSZACIVSA-N 1 2 268.332 0.312 20 30 CCEDLO O=C(C#CC1CC1)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271960179 814652216 /nfs/dbraw/zinc/65/22/16/814652216.db2.gz YUPPRLSPPNHOAG-CQSZACIVSA-N 1 2 268.332 0.312 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCCC2)C1 ZINC001271997465 814672544 /nfs/dbraw/zinc/67/25/44/814672544.db2.gz ZRFQURVOSKPFIZ-OAHLLOKOSA-N 1 2 281.400 0.211 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CN2CCCC2)C1 ZINC001271997465 814672547 /nfs/dbraw/zinc/67/25/47/814672547.db2.gz ZRFQURVOSKPFIZ-OAHLLOKOSA-N 1 2 281.400 0.211 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)[C@@H](O)C1 ZINC001083639669 815583921 /nfs/dbraw/zinc/58/39/21/815583921.db2.gz BIMKIPKSLUJXMF-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)[C@@H](O)C1 ZINC001083639669 815583925 /nfs/dbraw/zinc/58/39/25/815583925.db2.gz BIMKIPKSLUJXMF-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001075888050 814879629 /nfs/dbraw/zinc/87/96/29/814879629.db2.gz RAAJSFUWHNHMNC-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001127040127 815589786 /nfs/dbraw/zinc/58/97/86/815589786.db2.gz YWAPQFZFOLMRCU-NSHDSACASA-N 1 2 279.340 0.481 20 30 CCEDLO Cc1nc(NC[C@H](O)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001105825397 815891195 /nfs/dbraw/zinc/89/11/95/815891195.db2.gz DRMZFBWUXUDHFA-LBPRGKRZSA-N 1 2 274.324 0.087 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001030363048 815994953 /nfs/dbraw/zinc/99/49/53/815994953.db2.gz NSZIPXQZKQYULE-UHFFFAOYSA-N 1 2 292.387 0.347 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OC)C1 ZINC001030425752 816032124 /nfs/dbraw/zinc/03/21/24/816032124.db2.gz OPHQMXXOAFEAHL-TZMCWYRMSA-N 1 2 280.368 0.252 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001030552098 816103255 /nfs/dbraw/zinc/10/32/55/816103255.db2.gz FBIQXNHNESVONZ-GFCCVEGCSA-N 1 2 286.379 0.647 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001030552098 816103260 /nfs/dbraw/zinc/10/32/60/816103260.db2.gz FBIQXNHNESVONZ-GFCCVEGCSA-N 1 2 286.379 0.647 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030553849 816105729 /nfs/dbraw/zinc/10/57/29/816105729.db2.gz CKNBIYGEKOAHQA-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2CCC)C1 ZINC001030604906 816142372 /nfs/dbraw/zinc/14/23/72/816142372.db2.gz YKGGDHYZSFVPNB-UHFFFAOYSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001030623933 816159217 /nfs/dbraw/zinc/15/92/17/816159217.db2.gz DLJRGWCPUWXIEY-UHFFFAOYSA-N 1 2 299.374 0.760 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978229 816199831 /nfs/dbraw/zinc/19/98/31/816199831.db2.gz GPICNOWYTUKATA-WOPDTQHZSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978229 816199836 /nfs/dbraw/zinc/19/98/36/816199836.db2.gz GPICNOWYTUKATA-WOPDTQHZSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978229 816199842 /nfs/dbraw/zinc/19/98/42/816199842.db2.gz GPICNOWYTUKATA-WOPDTQHZSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978229 816199845 /nfs/dbraw/zinc/19/98/45/816199845.db2.gz GPICNOWYTUKATA-WOPDTQHZSA-N 1 2 289.383 0.675 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001030722045 816250614 /nfs/dbraw/zinc/25/06/14/816250614.db2.gz OWGYRXBKPRIMLD-UHFFFAOYSA-N 1 2 297.362 0.958 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H](O)C1 ZINC001083690057 816413912 /nfs/dbraw/zinc/41/39/12/816413912.db2.gz ZKZOQGATQDQKGA-CVEARBPZSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H](O)C1 ZINC001083690057 816413918 /nfs/dbraw/zinc/41/39/18/816413918.db2.gz ZKZOQGATQDQKGA-CVEARBPZSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001031012677 816562790 /nfs/dbraw/zinc/56/27/90/816562790.db2.gz CTVMIKSOUKSJRQ-UHFFFAOYSA-N 1 2 259.309 0.533 20 30 CCEDLO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426076 816768267 /nfs/dbraw/zinc/76/82/67/816768267.db2.gz BHDPNMCLOUDLJW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2Cl)C1 ZINC001031241122 816876353 /nfs/dbraw/zinc/87/63/53/816876353.db2.gz NRKNPULMFUAKNJ-UHFFFAOYSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001031316570 816970089 /nfs/dbraw/zinc/97/00/89/816970089.db2.gz KTPSKOQOTJGYGK-ZDUSSCGKSA-N 1 2 269.348 0.620 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001031345136 816993834 /nfs/dbraw/zinc/99/38/34/816993834.db2.gz IYXVKKBWGQGGRN-UHFFFAOYSA-N 1 2 286.339 0.423 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC001031399815 817031361 /nfs/dbraw/zinc/03/13/61/817031361.db2.gz CBGNZZSICUEGFW-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001031410400 817038886 /nfs/dbraw/zinc/03/88/86/817038886.db2.gz DWGNIMYPOWBZOJ-UHFFFAOYSA-N 1 2 285.347 0.484 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001031470289 817068467 /nfs/dbraw/zinc/06/84/67/817068467.db2.gz QKIBCQSMJQYRBQ-CYBMUJFWSA-N 1 2 274.368 0.885 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001047421842 817480869 /nfs/dbraw/zinc/48/08/69/817480869.db2.gz UXMQSCCXVOAYPP-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001047421842 817480873 /nfs/dbraw/zinc/48/08/73/817480873.db2.gz UXMQSCCXVOAYPP-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccn(C)n2)C1=O ZINC001272733846 817620031 /nfs/dbraw/zinc/62/00/31/817620031.db2.gz QBJRPMVKVFXHBS-HNNXBMFYSA-N 1 2 272.352 0.620 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccn(C)n2)C1=O ZINC001272733846 817620034 /nfs/dbraw/zinc/62/00/34/817620034.db2.gz QBJRPMVKVFXHBS-HNNXBMFYSA-N 1 2 272.352 0.620 20 30 CCEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124902077 817624630 /nfs/dbraw/zinc/62/46/30/817624630.db2.gz GPFNGJMYWRPJNG-BDAKNGLRSA-N 1 2 265.317 0.558 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001124908471 817632288 /nfs/dbraw/zinc/63/22/88/817632288.db2.gz LKVKFOOOXWXZIQ-VIFPVBQESA-N 1 2 279.344 0.733 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169324 817798735 /nfs/dbraw/zinc/79/87/35/817798735.db2.gz CAFFTYQZTXESKL-UHFFFAOYSA-N 1 2 299.378 0.741 20 30 CCEDLO N#Cc1cccnc1NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001107239935 817817370 /nfs/dbraw/zinc/81/73/70/817817370.db2.gz BHWVLAOZXLKUCA-UPHRSURJSA-N 1 2 296.334 0.934 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107679489 817937100 /nfs/dbraw/zinc/93/71/00/817937100.db2.gz BHMNGTFIEWLGFE-INIZCTEOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107679489 817937106 /nfs/dbraw/zinc/93/71/06/817937106.db2.gz BHMNGTFIEWLGFE-INIZCTEOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107679490 817937757 /nfs/dbraw/zinc/93/77/57/817937757.db2.gz BHMNGTFIEWLGFE-MRXNPFEDSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107679490 817937760 /nfs/dbraw/zinc/93/77/60/817937760.db2.gz BHMNGTFIEWLGFE-MRXNPFEDSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2snnc2C)C1 ZINC001107729573 817970849 /nfs/dbraw/zinc/97/08/49/817970849.db2.gz NNWDDCZLRVHMFV-ZDUSSCGKSA-N 1 2 296.396 0.853 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2snnc2C)C1 ZINC001107729573 817970854 /nfs/dbraw/zinc/97/08/54/817970854.db2.gz NNWDDCZLRVHMFV-ZDUSSCGKSA-N 1 2 296.396 0.853 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOC)C1 ZINC001107768361 817995134 /nfs/dbraw/zinc/99/51/34/817995134.db2.gz SFORMHFZGGDJGM-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOC)C1 ZINC001107768361 817995137 /nfs/dbraw/zinc/99/51/37/817995137.db2.gz SFORMHFZGGDJGM-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107808096 818020746 /nfs/dbraw/zinc/02/07/46/818020746.db2.gz AVYGESWGEGBEIX-DZGCQCFKSA-N 1 2 282.384 0.499 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107808096 818020754 /nfs/dbraw/zinc/02/07/54/818020754.db2.gz AVYGESWGEGBEIX-DZGCQCFKSA-N 1 2 282.384 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078752036 818042462 /nfs/dbraw/zinc/04/24/62/818042462.db2.gz HILMZIYOCGRZAA-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761299 818051224 /nfs/dbraw/zinc/05/12/24/818051224.db2.gz KBSFMEUDROYJSY-GHMZBOCLSA-N 1 2 273.340 0.493 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001083803001 818059882 /nfs/dbraw/zinc/05/98/82/818059882.db2.gz ZSRFEEBCALTWHO-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001083803001 818059891 /nfs/dbraw/zinc/05/98/91/818059891.db2.gz ZSRFEEBCALTWHO-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001108043447 818100653 /nfs/dbraw/zinc/10/06/53/818100653.db2.gz KXTTVMYKPDTZBY-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001108043447 818100658 /nfs/dbraw/zinc/10/06/58/818100658.db2.gz KXTTVMYKPDTZBY-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090053369 818368322 /nfs/dbraw/zinc/36/83/22/818368322.db2.gz AGOOVPHYYURYPL-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090053369 818368329 /nfs/dbraw/zinc/36/83/29/818368329.db2.gz AGOOVPHYYURYPL-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024522 818434863 /nfs/dbraw/zinc/43/48/63/818434863.db2.gz XWYIQZYUBQQUCQ-JTQLQIEISA-N 1 2 299.762 0.269 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024522 818434868 /nfs/dbraw/zinc/43/48/68/818434868.db2.gz XWYIQZYUBQQUCQ-JTQLQIEISA-N 1 2 299.762 0.269 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033059243 818474270 /nfs/dbraw/zinc/47/42/70/818474270.db2.gz XGSLMOFGOBTELH-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033059243 818474275 /nfs/dbraw/zinc/47/42/75/818474275.db2.gz XGSLMOFGOBTELH-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070682 818530519 /nfs/dbraw/zinc/53/05/19/818530519.db2.gz DZEYUSXTRUWZHC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070682 818530527 /nfs/dbraw/zinc/53/05/27/818530527.db2.gz DZEYUSXTRUWZHC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001083845978 818586289 /nfs/dbraw/zinc/58/62/89/818586289.db2.gz AUSLZYKUQODYMQ-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001083845978 818586298 /nfs/dbraw/zinc/58/62/98/818586298.db2.gz AUSLZYKUQODYMQ-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001033211619 818653104 /nfs/dbraw/zinc/65/31/04/818653104.db2.gz LMTZELKQZCAPEB-GFCCVEGCSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001033211619 818653107 /nfs/dbraw/zinc/65/31/07/818653107.db2.gz LMTZELKQZCAPEB-GFCCVEGCSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001033342143 818726967 /nfs/dbraw/zinc/72/69/67/818726967.db2.gz SECQPBLKVRYBAI-NWDGAFQWSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001033342143 818726969 /nfs/dbraw/zinc/72/69/69/818726969.db2.gz SECQPBLKVRYBAI-NWDGAFQWSA-N 1 2 299.802 0.750 20 30 CCEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCN(CC#N)C1 ZINC001033416834 818763218 /nfs/dbraw/zinc/76/32/18/818763218.db2.gz QITIMZKDDJULDV-NEPJUHHUSA-N 1 2 287.367 0.886 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128764002 818973678 /nfs/dbraw/zinc/97/36/78/818973678.db2.gz SOSMKBLJUNTSNF-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128764002 818973679 /nfs/dbraw/zinc/97/36/79/818973679.db2.gz SOSMKBLJUNTSNF-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO COc1ccc(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162694387 819394111 /nfs/dbraw/zinc/39/41/11/819394111.db2.gz OHKAWOPMADKELI-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1ccc(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162694387 819394117 /nfs/dbraw/zinc/39/41/17/819394117.db2.gz OHKAWOPMADKELI-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCOCC1 ZINC001129116857 819421401 /nfs/dbraw/zinc/42/14/01/819421401.db2.gz LCDFTHBNHRQCIS-UHFFFAOYSA-N 1 2 292.339 0.096 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001035285391 819450311 /nfs/dbraw/zinc/45/03/11/819450311.db2.gz ATITYUOJLYXQFI-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001035285391 819450315 /nfs/dbraw/zinc/45/03/15/819450315.db2.gz ATITYUOJLYXQFI-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2C)C1 ZINC001035304271 819455088 /nfs/dbraw/zinc/45/50/88/819455088.db2.gz WLAHPHXOWNWAJQ-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2C)C1 ZINC001035304271 819455094 /nfs/dbraw/zinc/45/50/94/819455094.db2.gz WLAHPHXOWNWAJQ-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2C)C1 ZINC001035304269 819455701 /nfs/dbraw/zinc/45/57/01/819455701.db2.gz WLAHPHXOWNWAJQ-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncoc2C)C1 ZINC001035304269 819455711 /nfs/dbraw/zinc/45/57/11/819455711.db2.gz WLAHPHXOWNWAJQ-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnns2)C1 ZINC001035310882 819461558 /nfs/dbraw/zinc/46/15/58/819461558.db2.gz OHOHEDRQOQWWMU-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnns2)C1 ZINC001035310882 819461562 /nfs/dbraw/zinc/46/15/62/819461562.db2.gz OHOHEDRQOQWWMU-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnccc2C)C1 ZINC001035325565 819472566 /nfs/dbraw/zinc/47/25/66/819472566.db2.gz BRBJSEJANHCOMQ-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnccc2C)C1 ZINC001035325565 819472572 /nfs/dbraw/zinc/47/25/72/819472572.db2.gz BRBJSEJANHCOMQ-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035342405 819482845 /nfs/dbraw/zinc/48/28/45/819482845.db2.gz NRQOGKKXSVMGOX-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035342405 819482851 /nfs/dbraw/zinc/48/28/51/819482851.db2.gz NRQOGKKXSVMGOX-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035367928 819491191 /nfs/dbraw/zinc/49/11/91/819491191.db2.gz ZAJMYIWISIYGPI-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035367928 819491194 /nfs/dbraw/zinc/49/11/94/819491194.db2.gz ZAJMYIWISIYGPI-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001035375344 819493119 /nfs/dbraw/zinc/49/31/19/819493119.db2.gz QVPNIXRNLIDUNZ-JTQLQIEISA-N 1 2 298.774 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001035375344 819493124 /nfs/dbraw/zinc/49/31/24/819493124.db2.gz QVPNIXRNLIDUNZ-JTQLQIEISA-N 1 2 298.774 0.690 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035355995 819497599 /nfs/dbraw/zinc/49/75/99/819497599.db2.gz KQWCESTUJLGCOX-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035355995 819497606 /nfs/dbraw/zinc/49/76/06/819497606.db2.gz KQWCESTUJLGCOX-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404590 819512810 /nfs/dbraw/zinc/51/28/10/819512810.db2.gz MWSWULSYICQJPF-JTQLQIEISA-N 1 2 280.328 0.040 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404590 819512812 /nfs/dbraw/zinc/51/28/12/819512812.db2.gz MWSWULSYICQJPF-JTQLQIEISA-N 1 2 280.328 0.040 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001035428579 819513830 /nfs/dbraw/zinc/51/38/30/819513830.db2.gz CLVKUIBBMMTFOB-NSHDSACASA-N 1 2 290.367 0.515 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001035428579 819513835 /nfs/dbraw/zinc/51/38/35/819513835.db2.gz CLVKUIBBMMTFOB-NSHDSACASA-N 1 2 290.367 0.515 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035492260 819548313 /nfs/dbraw/zinc/54/83/13/819548313.db2.gz WBPWMHZRXSMXIC-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035492260 819548318 /nfs/dbraw/zinc/54/83/18/819548318.db2.gz WBPWMHZRXSMXIC-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nonc2C)C1 ZINC001035625127 819582470 /nfs/dbraw/zinc/58/24/70/819582470.db2.gz SBHOKVYUABBUBJ-LLVKDONJSA-N 1 2 280.328 0.385 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nonc2C)C1 ZINC001035625127 819582480 /nfs/dbraw/zinc/58/24/80/819582480.db2.gz SBHOKVYUABBUBJ-LLVKDONJSA-N 1 2 280.328 0.385 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001035631996 819585472 /nfs/dbraw/zinc/58/54/72/819585472.db2.gz XFJOGTYLZLIXBT-KBPBESRZSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001035631996 819585481 /nfs/dbraw/zinc/58/54/81/819585481.db2.gz XFJOGTYLZLIXBT-KBPBESRZSA-N 1 2 294.395 0.806 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035761755 819619383 /nfs/dbraw/zinc/61/93/83/819619383.db2.gz AWGADUGWZHZVGG-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO N#CC1(c2ccnc(-n3[nH]c(=O)nc3C[NH3+])c2)CC1 ZINC001168760496 819712431 /nfs/dbraw/zinc/71/24/31/819712431.db2.gz OOCMRPVWVFRQKR-UHFFFAOYSA-N 1 2 256.269 0.382 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001036253510 819715487 /nfs/dbraw/zinc/71/54/87/819715487.db2.gz KYIVVZSIOKKIGQ-YPMHNXCESA-N 1 2 275.356 0.313 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000712272276 820300433 /nfs/dbraw/zinc/30/04/33/820300433.db2.gz QQQRWSZSSLHXFU-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000712272276 820300441 /nfs/dbraw/zinc/30/04/41/820300441.db2.gz QQQRWSZSSLHXFU-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001081317307 820726316 /nfs/dbraw/zinc/72/63/16/820726316.db2.gz BVNMMPVYPMSESG-VXGBXAGGSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001081317307 820726323 /nfs/dbraw/zinc/72/63/23/820726323.db2.gz BVNMMPVYPMSESG-VXGBXAGGSA-N 1 2 263.297 0.045 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001081358639 820746839 /nfs/dbraw/zinc/74/68/39/820746839.db2.gz AEXKVDFOAADFAQ-CHWSQXEVSA-N 1 2 262.309 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001081358639 820746847 /nfs/dbraw/zinc/74/68/47/820746847.db2.gz AEXKVDFOAADFAQ-CHWSQXEVSA-N 1 2 262.309 0.732 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncs2)[C@H](OC)C1 ZINC001081409885 820759464 /nfs/dbraw/zinc/75/94/64/820759464.db2.gz XSGRXMNMAJTIMU-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cncs2)[C@H](OC)C1 ZINC001081409885 820759471 /nfs/dbraw/zinc/75/94/71/820759471.db2.gz XSGRXMNMAJTIMU-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@H](OC)C1 ZINC001081426422 820762217 /nfs/dbraw/zinc/76/22/17/820762217.db2.gz QTZFZTRIYANQTE-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@H](OC)C1 ZINC001081426422 820762222 /nfs/dbraw/zinc/76/22/22/820762222.db2.gz QTZFZTRIYANQTE-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1O ZINC001099727834 820827262 /nfs/dbraw/zinc/82/72/62/820827262.db2.gz SNKFOCKIZZGULH-UONOGXRCSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1O ZINC001099727834 820827271 /nfs/dbraw/zinc/82/72/71/820827271.db2.gz SNKFOCKIZZGULH-UONOGXRCSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001082105222 820903233 /nfs/dbraw/zinc/90/32/33/820903233.db2.gz OTQUMKGLAUGHJS-CHWSQXEVSA-N 1 2 276.336 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001082105222 820903241 /nfs/dbraw/zinc/90/32/41/820903241.db2.gz OTQUMKGLAUGHJS-CHWSQXEVSA-N 1 2 276.336 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@H](OC)C1 ZINC001082194142 820913249 /nfs/dbraw/zinc/91/32/49/820913249.db2.gz JKAWCRHJHBGDBV-ZIAGYGMSSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@H](OC)C1 ZINC001082194142 820913259 /nfs/dbraw/zinc/91/32/59/820913259.db2.gz JKAWCRHJHBGDBV-ZIAGYGMSSA-N 1 2 290.367 0.526 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001082450649 820973069 /nfs/dbraw/zinc/97/30/69/820973069.db2.gz CWMAMNSDHXZJNA-IQJOONFLSA-N 1 2 279.369 0.634 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCCC3)[C@H]2C1 ZINC001082974769 821084722 /nfs/dbraw/zinc/08/47/22/821084722.db2.gz IRMVCFGVKJTUPA-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCCC3)[C@H]2C1 ZINC001082974769 821084731 /nfs/dbraw/zinc/08/47/31/821084731.db2.gz IRMVCFGVKJTUPA-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001083145954 821144446 /nfs/dbraw/zinc/14/44/46/821144446.db2.gz KOYJQKPBZBWYLU-QWHCGFSZSA-N 1 2 277.299 0.312 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001083145954 821144454 /nfs/dbraw/zinc/14/44/54/821144454.db2.gz KOYJQKPBZBWYLU-QWHCGFSZSA-N 1 2 277.299 0.312 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C(C)C)[C@H]2C1 ZINC001083167918 821153744 /nfs/dbraw/zinc/15/37/44/821153744.db2.gz FJOSJBBXBJVVGE-YNEHKIRRSA-N 1 2 268.332 0.525 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C(C)C)[C@H]2C1 ZINC001083167918 821153747 /nfs/dbraw/zinc/15/37/47/821153747.db2.gz FJOSJBBXBJVVGE-YNEHKIRRSA-N 1 2 268.332 0.525 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](O)C1 ZINC001083977209 821179184 /nfs/dbraw/zinc/17/91/84/821179184.db2.gz ZNVMBXFLHWXMKZ-ZJUUUORDSA-N 1 2 282.365 0.718 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](O)C1 ZINC001083977209 821179186 /nfs/dbraw/zinc/17/91/86/821179186.db2.gz ZNVMBXFLHWXMKZ-ZJUUUORDSA-N 1 2 282.365 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084080660 821185607 /nfs/dbraw/zinc/18/56/07/821185607.db2.gz XDNOOLHVGJFJFO-YCPHGPKFSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084080660 821185610 /nfs/dbraw/zinc/18/56/10/821185610.db2.gz XDNOOLHVGJFJFO-YCPHGPKFSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001084064445 821189202 /nfs/dbraw/zinc/18/92/02/821189202.db2.gz UCFCQXRCKAOYLZ-YPMHNXCESA-N 1 2 295.770 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001084064445 821189205 /nfs/dbraw/zinc/18/92/05/821189205.db2.gz UCFCQXRCKAOYLZ-YPMHNXCESA-N 1 2 295.770 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](O)C1 ZINC001084113320 821193106 /nfs/dbraw/zinc/19/31/06/821193106.db2.gz BIHVYIFNKCBTMI-HIFRSBDPSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](O)C1 ZINC001084113320 821193108 /nfs/dbraw/zinc/19/31/08/821193108.db2.gz BIHVYIFNKCBTMI-HIFRSBDPSA-N 1 2 287.363 0.161 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001084497082 821304888 /nfs/dbraw/zinc/30/48/88/821304888.db2.gz ATVZMYSOWIJUAR-FRRDWIJNSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001084497082 821304895 /nfs/dbraw/zinc/30/48/95/821304895.db2.gz ATVZMYSOWIJUAR-FRRDWIJNSA-N 1 2 298.408 0.140 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809317 821329935 /nfs/dbraw/zinc/32/99/35/821329935.db2.gz GGEZLHGOTKSKHQ-WDEREUQCSA-N 1 2 290.791 0.451 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809317 821329946 /nfs/dbraw/zinc/32/99/46/821329946.db2.gz GGEZLHGOTKSKHQ-WDEREUQCSA-N 1 2 290.791 0.451 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001099856306 821446710 /nfs/dbraw/zinc/44/67/10/821446710.db2.gz VGXCYLFNAXKVQD-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C[C@H]1O ZINC001099856306 821446718 /nfs/dbraw/zinc/44/67/18/821446718.db2.gz VGXCYLFNAXKVQD-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000712277222 821466400 /nfs/dbraw/zinc/46/64/00/821466400.db2.gz QSFNTZHZYLHISC-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000712277222 821466402 /nfs/dbraw/zinc/46/64/02/821466402.db2.gz QSFNTZHZYLHISC-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450771 821703748 /nfs/dbraw/zinc/70/37/48/821703748.db2.gz BNASAVCEDMSHIC-KBPBESRZSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450771 821703754 /nfs/dbraw/zinc/70/37/54/821703754.db2.gz BNASAVCEDMSHIC-KBPBESRZSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001085492729 821740743 /nfs/dbraw/zinc/74/07/43/821740743.db2.gz DCDNRVLLPVFIMU-GFCCVEGCSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001085492729 821740752 /nfs/dbraw/zinc/74/07/52/821740752.db2.gz DCDNRVLLPVFIMU-GFCCVEGCSA-N 1 2 260.341 0.752 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001085499779 821747283 /nfs/dbraw/zinc/74/72/83/821747283.db2.gz LAZVXDUUWKKYEE-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001085499779 821747284 /nfs/dbraw/zinc/74/72/84/821747284.db2.gz LAZVXDUUWKKYEE-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCC2 ZINC001085647478 821876796 /nfs/dbraw/zinc/87/67/96/821876796.db2.gz LZWQQVBCWIVFSJ-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCC2 ZINC001085647478 821876799 /nfs/dbraw/zinc/87/67/99/821876799.db2.gz LZWQQVBCWIVFSJ-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001085661899 821878115 /nfs/dbraw/zinc/87/81/15/821878115.db2.gz LAVRCXQJISXLEC-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001085661899 821878124 /nfs/dbraw/zinc/87/81/24/821878124.db2.gz LAVRCXQJISXLEC-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085665512 821886027 /nfs/dbraw/zinc/88/60/27/821886027.db2.gz JMFXZWPKMFNTKQ-GFCCVEGCSA-N 1 2 290.367 0.978 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085665512 821886040 /nfs/dbraw/zinc/88/60/40/821886040.db2.gz JMFXZWPKMFNTKQ-GFCCVEGCSA-N 1 2 290.367 0.978 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676849 821887867 /nfs/dbraw/zinc/88/78/67/821887867.db2.gz ZMIOFPLUONCPFI-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673558 821890742 /nfs/dbraw/zinc/89/07/42/821890742.db2.gz ZVFJGPUPWIIZFJ-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673558 821890749 /nfs/dbraw/zinc/89/07/49/821890749.db2.gz ZVFJGPUPWIIZFJ-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698277 821911652 /nfs/dbraw/zinc/91/16/52/821911652.db2.gz IMFYXRWXPYRWAC-LLVKDONJSA-N 1 2 283.335 0.689 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698277 821911660 /nfs/dbraw/zinc/91/16/60/821911660.db2.gz IMFYXRWXPYRWAC-LLVKDONJSA-N 1 2 283.335 0.689 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085744185 821930409 /nfs/dbraw/zinc/93/04/09/821930409.db2.gz FASKOQKKRDLEGM-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085744185 821930418 /nfs/dbraw/zinc/93/04/18/821930418.db2.gz FASKOQKKRDLEGM-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cc(C)cnc12 ZINC001085850455 821981572 /nfs/dbraw/zinc/98/15/72/821981572.db2.gz XHASWTVNXDHQQC-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cc(C)cnc12 ZINC001085850455 821981577 /nfs/dbraw/zinc/98/15/77/821981577.db2.gz XHASWTVNXDHQQC-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919434 822014301 /nfs/dbraw/zinc/01/43/01/822014301.db2.gz BHIQKZMESQSTMI-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919434 822014308 /nfs/dbraw/zinc/01/43/08/822014308.db2.gz BHIQKZMESQSTMI-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC001085947816 822031260 /nfs/dbraw/zinc/03/12/60/822031260.db2.gz SROWGIQAKCYTOY-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC001085947816 822031270 /nfs/dbraw/zinc/03/12/70/822031270.db2.gz SROWGIQAKCYTOY-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982594 822054186 /nfs/dbraw/zinc/05/41/86/822054186.db2.gz ODFAOZUSJPCUQV-ZIAGYGMSSA-N 1 2 281.400 0.426 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982594 822054194 /nfs/dbraw/zinc/05/41/94/822054194.db2.gz ODFAOZUSJPCUQV-ZIAGYGMSSA-N 1 2 281.400 0.426 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nonc1C ZINC001086000772 822063828 /nfs/dbraw/zinc/06/38/28/822063828.db2.gz QHOJPJNOIPUJRV-LLVKDONJSA-N 1 2 262.313 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nonc1C ZINC001086000772 822063835 /nfs/dbraw/zinc/06/38/35/822063835.db2.gz QHOJPJNOIPUJRV-LLVKDONJSA-N 1 2 262.313 0.548 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086124237 822121385 /nfs/dbraw/zinc/12/13/85/822121385.db2.gz LJJNEWFJUGICKY-UPJWGTAASA-N 1 2 287.367 0.453 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001155724939 822239735 /nfs/dbraw/zinc/23/97/35/822239735.db2.gz JDQNZAVJWRINJT-UHFFFAOYSA-N 1 2 282.344 0.431 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oncc2C)C1 ZINC001108318832 822350379 /nfs/dbraw/zinc/35/03/79/822350379.db2.gz MZWXIVXZLVLCJK-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oncc2C)C1 ZINC001108318832 822350387 /nfs/dbraw/zinc/35/03/87/822350387.db2.gz MZWXIVXZLVLCJK-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114237358 837482058 /nfs/dbraw/zinc/48/20/58/837482058.db2.gz KXSAVNMBLLJCLU-NHAGDIPZSA-N 1 2 273.336 0.880 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114237358 837482060 /nfs/dbraw/zinc/48/20/60/837482060.db2.gz KXSAVNMBLLJCLU-NHAGDIPZSA-N 1 2 273.336 0.880 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183936434 844114480 /nfs/dbraw/zinc/11/44/80/844114480.db2.gz PPYZLBUFGCVHOQ-LLVKDONJSA-N 1 2 260.297 0.347 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964482 836088780 /nfs/dbraw/zinc/08/87/80/836088780.db2.gz TZFRQGNHEFLQTL-BBBLOLIVSA-N 1 2 276.358 0.883 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444381 836118326 /nfs/dbraw/zinc/11/83/26/836118326.db2.gz GLRZLPKDCCYNIQ-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444381 836118331 /nfs/dbraw/zinc/11/83/31/836118331.db2.gz GLRZLPKDCCYNIQ-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)c(C#N)c(C)n2)C[NH2+]1 ZINC001169129424 836145546 /nfs/dbraw/zinc/14/55/46/836145546.db2.gz HKVREDFRDLWWRV-PWSUYJOCSA-N 1 2 274.324 0.886 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cncc(CC#N)c2)C[NH2+]1 ZINC001169132373 836148735 /nfs/dbraw/zinc/14/87/35/836148735.db2.gz LKVJZKIZYHXALW-NEPJUHHUSA-N 1 2 260.297 0.463 20 30 CCEDLO C=CCOCC[NH+]1CC(N2C[C@H](NC(=O)CC)CC2=O)C1 ZINC001108490808 836289714 /nfs/dbraw/zinc/28/97/14/836289714.db2.gz AOGQZPJQYKESIL-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO COc1nc(NC[C@H]2COCC[N@@H+]2C)ccc1C#N ZINC001169652368 836407375 /nfs/dbraw/zinc/40/73/75/836407375.db2.gz ZFLLKTOKUBDYFQ-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1nc(NC[C@H]2COCC[N@H+]2C)ccc1C#N ZINC001169652368 836407380 /nfs/dbraw/zinc/40/73/80/836407380.db2.gz ZFLLKTOKUBDYFQ-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108854668 836551554 /nfs/dbraw/zinc/55/15/54/836551554.db2.gz YPUVVDRINRKKHL-WOPDTQHZSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108854668 836551557 /nfs/dbraw/zinc/55/15/57/836551557.db2.gz YPUVVDRINRKKHL-WOPDTQHZSA-N 1 2 297.374 0.758 20 30 CCEDLO C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109057723 836610180 /nfs/dbraw/zinc/61/01/80/836610180.db2.gz OLCLKPXKWOTWRC-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109080084 836612066 /nfs/dbraw/zinc/61/20/66/836612066.db2.gz LBLOSXSMOBVTOO-XEZLXBQYSA-N 1 2 290.367 0.146 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109080084 836612077 /nfs/dbraw/zinc/61/20/77/836612077.db2.gz LBLOSXSMOBVTOO-XEZLXBQYSA-N 1 2 290.367 0.146 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261339 836650660 /nfs/dbraw/zinc/65/06/60/836650660.db2.gz ZFJUCUVZHREKMH-RNJOBUHISA-N 1 2 291.395 0.631 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261339 836650663 /nfs/dbraw/zinc/65/06/63/836650663.db2.gz ZFJUCUVZHREKMH-RNJOBUHISA-N 1 2 291.395 0.631 20 30 CCEDLO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001109861598 836740259 /nfs/dbraw/zinc/74/02/59/836740259.db2.gz TZWVCACWQDDFOI-WOPDTQHZSA-N 1 2 291.355 0.342 20 30 CCEDLO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001109861598 836740268 /nfs/dbraw/zinc/74/02/68/836740268.db2.gz TZWVCACWQDDFOI-WOPDTQHZSA-N 1 2 291.355 0.342 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1CNCC#N ZINC001184274969 844201678 /nfs/dbraw/zinc/20/16/78/844201678.db2.gz UURHVPCOODAARZ-OLZOCXBDSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)no2)CC1 ZINC001112609512 836823068 /nfs/dbraw/zinc/82/30/68/836823068.db2.gz KTBBTXBHDSMDED-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001112634687 836833838 /nfs/dbraw/zinc/83/38/38/836833838.db2.gz WRWUWBFXJKQKIN-UHFFFAOYSA-N 1 2 264.329 0.370 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112837114 836936415 /nfs/dbraw/zinc/93/64/15/836936415.db2.gz SOYZCKHNNWJTEW-UHFFFAOYSA-N 1 2 282.384 0.189 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC=C)CC1 ZINC001112846639 836937541 /nfs/dbraw/zinc/93/75/41/836937541.db2.gz UVGPBYNMWRQUBA-AWEZNQCLSA-N 1 2 280.368 0.372 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112846504 836938190 /nfs/dbraw/zinc/93/81/90/836938190.db2.gz QRWQGANSVDKMBT-AWEZNQCLSA-N 1 2 294.395 0.738 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1cncc(C#N)n1 ZINC001113313758 837084667 /nfs/dbraw/zinc/08/46/67/837084667.db2.gz MVELXXJYQFOCFA-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113313511 837085473 /nfs/dbraw/zinc/08/54/73/837085473.db2.gz IYJBHVVBKIOFSG-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)C2CCC2)CC1 ZINC001113428050 837114142 /nfs/dbraw/zinc/11/41/42/837114142.db2.gz BGQXDCKCTJZJGU-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1cncc(C#N)n1 ZINC001113695346 837198368 /nfs/dbraw/zinc/19/83/68/837198368.db2.gz AEWWAPSYLKOUAO-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CCOC(=O)[C@H](C#N)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001170368853 837313490 /nfs/dbraw/zinc/31/34/90/837313490.db2.gz QJUDVLHORPVQNW-NSHDSACASA-N 1 2 275.312 0.332 20 30 CCEDLO CCOC(=O)[C@H](C#N)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001170368853 837313503 /nfs/dbraw/zinc/31/35/03/837313503.db2.gz QJUDVLHORPVQNW-NSHDSACASA-N 1 2 275.312 0.332 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131855776 838249096 /nfs/dbraw/zinc/24/90/96/838249096.db2.gz BRSJOMUBBVZSRF-OLZOCXBDSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131855776 838249104 /nfs/dbraw/zinc/24/91/04/838249104.db2.gz BRSJOMUBBVZSRF-OLZOCXBDSA-N 1 2 294.399 0.785 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132101311 838318095 /nfs/dbraw/zinc/31/80/95/838318095.db2.gz JOTVJEURCWFHOM-CHWSQXEVSA-N 1 2 291.395 0.634 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132101311 838318102 /nfs/dbraw/zinc/31/81/02/838318102.db2.gz JOTVJEURCWFHOM-CHWSQXEVSA-N 1 2 291.395 0.634 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217763 838340112 /nfs/dbraw/zinc/34/01/12/838340112.db2.gz GNVXOCVCWCYXEV-QWRGUYRKSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132217763 838340117 /nfs/dbraw/zinc/34/01/17/838340117.db2.gz GNVXOCVCWCYXEV-QWRGUYRKSA-N 1 2 267.373 0.653 20 30 CCEDLO C[C@H](C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1)NCC#N ZINC001134234480 838914117 /nfs/dbraw/zinc/91/41/17/838914117.db2.gz HMRCAXNLNSEYDX-GHMZBOCLSA-N 1 2 263.345 0.739 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C#N)cc(C)n1 ZINC001159302778 839109148 /nfs/dbraw/zinc/10/91/48/839109148.db2.gz RBORXMIGNWOQBH-UHFFFAOYSA-N 1 2 257.297 0.963 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553277 839638414 /nfs/dbraw/zinc/63/84/14/839638414.db2.gz LNJYKXAYZDWPBM-WDEREUQCSA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553277 839638423 /nfs/dbraw/zinc/63/84/23/839638423.db2.gz LNJYKXAYZDWPBM-WDEREUQCSA-N 1 2 282.319 0.290 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c1 ZINC001090558761 839642560 /nfs/dbraw/zinc/64/25/60/839642560.db2.gz GKGWZKIQDRASOC-UONOGXRCSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c1 ZINC001090558761 839642562 /nfs/dbraw/zinc/64/25/62/839642562.db2.gz GKGWZKIQDRASOC-UONOGXRCSA-N 1 2 291.326 0.197 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(C)C)C2)nn1 ZINC001185871497 844467732 /nfs/dbraw/zinc/46/77/32/844467732.db2.gz BVIQGYAXPQWLEE-AWEZNQCLSA-N 1 2 289.383 0.820 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001144019357 839915719 /nfs/dbraw/zinc/91/57/19/839915719.db2.gz CACGFCLXHCTYOV-GHMZBOCLSA-N 1 2 254.330 0.514 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001144019357 839915726 /nfs/dbraw/zinc/91/57/26/839915726.db2.gz CACGFCLXHCTYOV-GHMZBOCLSA-N 1 2 254.330 0.514 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144166383 839971123 /nfs/dbraw/zinc/97/11/23/839971123.db2.gz CCLSVKYLHTTZFQ-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144166383 839971130 /nfs/dbraw/zinc/97/11/30/839971130.db2.gz CCLSVKYLHTTZFQ-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001144409106 840036303 /nfs/dbraw/zinc/03/63/03/840036303.db2.gz GZQMWFGQWNMOMK-QWRGUYRKSA-N 1 2 296.396 0.550 20 30 CCEDLO N#CCNC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204061563 840191453 /nfs/dbraw/zinc/19/14/53/840191453.db2.gz FHPBGPDYBWQROB-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO C#CCCCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093580829 841348472 /nfs/dbraw/zinc/34/84/72/841348472.db2.gz SPJTYRONALHJQN-UHFFFAOYSA-N 1 2 286.339 0.695 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1cnc(C#N)cn1 ZINC001093785296 841457650 /nfs/dbraw/zinc/45/76/50/841457650.db2.gz OVZSVTITUHHGOO-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cncc(C#N)n1 ZINC001094188567 841561995 /nfs/dbraw/zinc/56/19/95/841561995.db2.gz CLLJMENWPZKHSG-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cncc(C#N)n1 ZINC001094188567 841562002 /nfs/dbraw/zinc/56/20/02/841562002.db2.gz CLLJMENWPZKHSG-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1ccc(C#N)nn1 ZINC001094302402 841593237 /nfs/dbraw/zinc/59/32/37/841593237.db2.gz ZYVALSCXYJQZQX-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H](CCN2CC#N)C1 ZINC001036879294 841641871 /nfs/dbraw/zinc/64/18/71/841641871.db2.gz KUQRHFOAPWBGOR-TZMCWYRMSA-N 1 2 287.367 0.707 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1cncc(C#N)n1 ZINC001094504345 841643032 /nfs/dbraw/zinc/64/30/32/841643032.db2.gz RQSUGBWNDUSIFK-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1cnc(C#N)cn1 ZINC001094524402 841656975 /nfs/dbraw/zinc/65/69/75/841656975.db2.gz LHAUDIURUNITRM-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)C3CC3)CC2=O)C1 ZINC001094723257 841713066 /nfs/dbraw/zinc/71/30/66/841713066.db2.gz GKPQFCOMXSTZOE-DGCLKSJQSA-N 1 2 291.395 0.620 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172145856 841861079 /nfs/dbraw/zinc/86/10/79/841861079.db2.gz IDZWCRPXUJWLFG-MXWKQRLJSA-N 1 2 286.397 0.591 20 30 CCEDLO COC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)O ZINC001173589122 842113786 /nfs/dbraw/zinc/11/37/86/842113786.db2.gz WYGIFUMVGQZURV-YLXHPXFOSA-N 1 2 254.330 0.971 20 30 CCEDLO C#Cc1nccnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490887 842187031 /nfs/dbraw/zinc/18/70/31/842187031.db2.gz XNWBNZGBUXKVFH-UHFFFAOYSA-N 1 2 298.350 0.730 20 30 CCEDLO C[C@@H](CCCCNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001176829821 842416975 /nfs/dbraw/zinc/41/69/75/842416975.db2.gz QXFOFZKMITVYBB-LBPRGKRZSA-N 1 2 263.345 0.671 20 30 CCEDLO CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929853 842453224 /nfs/dbraw/zinc/45/32/24/842453224.db2.gz NLAOSSKIIKDIST-CHWSQXEVSA-N 1 2 297.424 0.955 20 30 CCEDLO CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929853 842453226 /nfs/dbraw/zinc/45/32/26/842453226.db2.gz NLAOSSKIIKDIST-CHWSQXEVSA-N 1 2 297.424 0.955 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949289 842466687 /nfs/dbraw/zinc/46/66/87/842466687.db2.gz LQOLEPDOORLPHQ-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949289 842466697 /nfs/dbraw/zinc/46/66/97/842466697.db2.gz LQOLEPDOORLPHQ-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176954727 842468633 /nfs/dbraw/zinc/46/86/33/842468633.db2.gz ILCPAALLGFJULB-CHWSQXEVSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176954727 842468637 /nfs/dbraw/zinc/46/86/37/842468637.db2.gz ILCPAALLGFJULB-CHWSQXEVSA-N 1 2 268.357 0.247 20 30 CCEDLO CCN(C(=O)/C(=N\OC)c1ccco1)C1C[NH+](C)C1 ZINC001177350027 842561333 /nfs/dbraw/zinc/56/13/33/842561333.db2.gz GZKIMXPJCNWIKO-OWBHPGMISA-N 1 2 265.313 0.793 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)CN(C)c1cccc[nH+]1 ZINC001177413931 842586356 /nfs/dbraw/zinc/58/63/56/842586356.db2.gz LNFYFDZAYFWZGX-UHFFFAOYSA-N 1 2 290.367 0.716 20 30 CCEDLO CC(C)C[C@H](NC(=O)CN(C)c1cccc[nH+]1)C(=O)NO ZINC001177417032 842587870 /nfs/dbraw/zinc/58/78/70/842587870.db2.gz HTZBSQPZNMTTAB-NSHDSACASA-N 1 2 294.355 0.554 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CC3(COC3)C2)CC1 ZINC001181614031 843554457 /nfs/dbraw/zinc/55/44/57/843554457.db2.gz YDAOSJOMNAIMDO-UHFFFAOYSA-N 1 2 250.342 0.743 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182432314 843816886 /nfs/dbraw/zinc/81/68/86/843816886.db2.gz VVYMIZHAHWZRJL-GFCCVEGCSA-N 1 2 290.367 0.982 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001110394765 844734400 /nfs/dbraw/zinc/73/44/00/844734400.db2.gz LBLOSXSMOBVTOO-JHEVNIALSA-N 1 2 290.367 0.146 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001110394765 844734408 /nfs/dbraw/zinc/73/44/08/844734408.db2.gz LBLOSXSMOBVTOO-JHEVNIALSA-N 1 2 290.367 0.146 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110395112 844737990 /nfs/dbraw/zinc/73/79/90/844737990.db2.gz WHXCHVCQPHRXMR-QCNOEVLYSA-N 1 2 278.356 0.004 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110395112 844737995 /nfs/dbraw/zinc/73/79/95/844737995.db2.gz WHXCHVCQPHRXMR-QCNOEVLYSA-N 1 2 278.356 0.004 20 30 CCEDLO N#Cc1ccc(F)c(S(=O)(=O)N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001190642499 845453965 /nfs/dbraw/zinc/45/39/65/845453965.db2.gz IMBWKDRHOBZJCO-LLVKDONJSA-N 1 2 295.339 0.776 20 30 CCEDLO N#Cc1ccc(F)c(S(=O)(=O)N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001190642499 845453968 /nfs/dbraw/zinc/45/39/68/845453968.db2.gz IMBWKDRHOBZJCO-LLVKDONJSA-N 1 2 295.339 0.776 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC)C1 ZINC001191033848 845568435 /nfs/dbraw/zinc/56/84/35/845568435.db2.gz OYMUZMABDCECPN-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC)C1 ZINC001191033848 845568443 /nfs/dbraw/zinc/56/84/43/845568443.db2.gz OYMUZMABDCECPN-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC)C1 ZINC001191077743 845575710 /nfs/dbraw/zinc/57/57/10/845575710.db2.gz YWOTZWHMCMWOCO-YNEHKIRRSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC)C1 ZINC001191077743 845575716 /nfs/dbraw/zinc/57/57/16/845575716.db2.gz YWOTZWHMCMWOCO-YNEHKIRRSA-N 1 2 297.399 0.029 20 30 CCEDLO CCN(CCNCC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001273628407 845757103 /nfs/dbraw/zinc/75/71/03/845757103.db2.gz GDHDWDZWSJMZIH-LBPRGKRZSA-N 1 2 263.345 0.796 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001192770932 845906284 /nfs/dbraw/zinc/90/62/84/845906284.db2.gz UQSGKKSYQVBJAX-HZPDHXFCSA-N 1 2 299.374 0.465 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001192770932 845906289 /nfs/dbraw/zinc/90/62/89/845906289.db2.gz UQSGKKSYQVBJAX-HZPDHXFCSA-N 1 2 299.374 0.465 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821767 845916394 /nfs/dbraw/zinc/91/63/94/845916394.db2.gz PZBGHAJCAINECN-YNEHKIRRSA-N 1 2 268.332 0.309 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821767 845916398 /nfs/dbraw/zinc/91/63/98/845916398.db2.gz PZBGHAJCAINECN-YNEHKIRRSA-N 1 2 268.332 0.309 20 30 CCEDLO N#CCS(=O)(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001192952085 845934223 /nfs/dbraw/zinc/93/42/23/845934223.db2.gz WVAPTOQEOUWLKE-UHFFFAOYSA-N 1 2 281.337 0.778 20 30 CCEDLO C[NH+]1CCN(c2ncccc2NS(=O)(=O)CC#N)CC1 ZINC001192935527 845942000 /nfs/dbraw/zinc/94/20/00/845942000.db2.gz WDWSMLZDAKBJSK-UHFFFAOYSA-N 1 2 295.368 0.099 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(CO)cn2)CC1 ZINC001193313590 846061772 /nfs/dbraw/zinc/06/17/72/846061772.db2.gz SBGRZCVCVAMCHS-UHFFFAOYSA-N 1 2 261.325 0.518 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)F)C1 ZINC001193702375 846147821 /nfs/dbraw/zinc/14/78/21/846147821.db2.gz TVWHUZAMBQWHKF-NXEZZACHSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)F)C1 ZINC001193702375 846147825 /nfs/dbraw/zinc/14/78/25/846147825.db2.gz TVWHUZAMBQWHKF-NXEZZACHSA-N 1 2 274.311 0.462 20 30 CCEDLO C=CCOC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001194347134 846283020 /nfs/dbraw/zinc/28/30/20/846283020.db2.gz RXRJBZVLKGEPDB-NSHDSACASA-N 1 2 281.312 0.807 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195314776 846504070 /nfs/dbraw/zinc/50/40/70/846504070.db2.gz UBHKIVKRWQGXNB-CYBMUJFWSA-N 1 2 294.399 0.547 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195314776 846504075 /nfs/dbraw/zinc/50/40/75/846504075.db2.gz UBHKIVKRWQGXNB-CYBMUJFWSA-N 1 2 294.399 0.547 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001195313689 846504586 /nfs/dbraw/zinc/50/45/86/846504586.db2.gz AMYIPNSIWMPKED-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001195313689 846504594 /nfs/dbraw/zinc/50/45/94/846504594.db2.gz AMYIPNSIWMPKED-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195683290 846598450 /nfs/dbraw/zinc/59/84/50/846598450.db2.gz YNJAFZWTSATKHK-ZDUSSCGKSA-N 1 2 258.337 0.817 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195683290 846598456 /nfs/dbraw/zinc/59/84/56/846598456.db2.gz YNJAFZWTSATKHK-ZDUSSCGKSA-N 1 2 258.337 0.817 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195747099 846619393 /nfs/dbraw/zinc/61/93/93/846619393.db2.gz KKKJZKJYEGZNEH-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195747099 846619399 /nfs/dbraw/zinc/61/93/99/846619399.db2.gz KKKJZKJYEGZNEH-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=S)[nH]c2=O)CC1 ZINC001196014343 846668050 /nfs/dbraw/zinc/66/80/50/846668050.db2.gz UBHNQJFDLXJMAQ-UHFFFAOYSA-N 1 2 280.353 0.415 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)c(C)n2)CC1 ZINC001196517028 846758885 /nfs/dbraw/zinc/75/88/85/846758885.db2.gz SNCNCJSMZGHLQZ-UHFFFAOYSA-N 1 2 262.313 0.022 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196783463 846798703 /nfs/dbraw/zinc/79/87/03/846798703.db2.gz ZLHOEVNNQBGMLO-OLZOCXBDSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196783463 846798717 /nfs/dbraw/zinc/79/87/17/846798717.db2.gz ZLHOEVNNQBGMLO-OLZOCXBDSA-N 1 2 299.390 0.960 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)o1 ZINC001273822879 847597087 /nfs/dbraw/zinc/59/70/87/847597087.db2.gz XBUCRDFVPRHYQL-UHFFFAOYSA-N 1 2 297.318 0.832 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000847579715 847909956 /nfs/dbraw/zinc/90/99/56/847909956.db2.gz PFRZAACGJQINTQ-UHFFFAOYSA-N 1 2 297.318 0.532 20 30 CCEDLO C=CCNC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001202579328 848185472 /nfs/dbraw/zinc/18/54/72/848185472.db2.gz VRAMTVVRLNUDLA-NSHDSACASA-N 1 2 280.328 0.380 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000717462286 848267081 /nfs/dbraw/zinc/26/70/81/848267081.db2.gz URPJLNYNWLQHTC-NWDGAFQWSA-N 1 2 289.397 0.201 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000717596077 848277330 /nfs/dbraw/zinc/27/73/30/848277330.db2.gz RZDYENKLFUODHW-UHFFFAOYSA-N 1 2 260.341 0.583 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C\C[NH2+]Cc1ccon1 ZINC001274018108 848305795 /nfs/dbraw/zinc/30/57/95/848305795.db2.gz XNJRGSXWZQEKFK-UPHRSURJSA-N 1 2 259.309 0.850 20 30 CCEDLO COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031081 848309392 /nfs/dbraw/zinc/30/93/92/848309392.db2.gz GZSZNBPQDFTKKK-YNEHKIRRSA-N 1 2 293.367 0.774 20 30 CCEDLO COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031081 848309399 /nfs/dbraw/zinc/30/93/99/848309399.db2.gz GZSZNBPQDFTKKK-YNEHKIRRSA-N 1 2 293.367 0.774 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OC(C)C ZINC001274062228 848333732 /nfs/dbraw/zinc/33/37/32/848333732.db2.gz TYKWWVLKVGYDCN-CHWSQXEVSA-N 1 2 278.352 0.637 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OC(C)C ZINC001274062228 848333742 /nfs/dbraw/zinc/33/37/42/848333742.db2.gz TYKWWVLKVGYDCN-CHWSQXEVSA-N 1 2 278.352 0.637 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1cccc(N)[nH+]1)C2 ZINC001274159529 848361044 /nfs/dbraw/zinc/36/10/44/848361044.db2.gz REVHZCBTQZKQDW-UHFFFAOYSA-N 1 2 288.351 0.263 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001095396147 848402627 /nfs/dbraw/zinc/40/26/27/848402627.db2.gz KPEWFEAFUQSXOG-WOPDTQHZSA-N 1 2 273.340 0.010 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001095396147 848402629 /nfs/dbraw/zinc/40/26/29/848402629.db2.gz KPEWFEAFUQSXOG-WOPDTQHZSA-N 1 2 273.340 0.010 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354628 848456833 /nfs/dbraw/zinc/45/68/33/848456833.db2.gz PGRDQBNMVLHEID-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354628 848456835 /nfs/dbraw/zinc/45/68/35/848456835.db2.gz PGRDQBNMVLHEID-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@H](O)CCC)C2)OCC1=O ZINC001274635498 848528760 /nfs/dbraw/zinc/52/87/60/848528760.db2.gz MGWMMNHGNRDOBD-CYBMUJFWSA-N 1 2 282.384 0.637 20 30 CCEDLO C#CCN1C[C@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739171 848557010 /nfs/dbraw/zinc/55/70/10/848557010.db2.gz BEFZCKFZJGWCOX-OAHLLOKOSA-N 1 2 271.320 0.523 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111072206 849065043 /nfs/dbraw/zinc/06/50/43/849065043.db2.gz GLXMKAMXCJYRRW-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111072206 849065035 /nfs/dbraw/zinc/06/50/35/849065035.db2.gz GLXMKAMXCJYRRW-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO CNC(=O)C[NH+](CCCCC(C)(C)C#N)CC(=O)NC ZINC000720535544 849487291 /nfs/dbraw/zinc/48/72/91/849487291.db2.gz DOZOTXLVELDBAV-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001038214461 849818175 /nfs/dbraw/zinc/81/81/75/849818175.db2.gz BCWXBWWRRLTYOP-OTTFEQOBSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001038214461 849818187 /nfs/dbraw/zinc/81/81/87/849818187.db2.gz BCWXBWWRRLTYOP-OTTFEQOBSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038316434 849848968 /nfs/dbraw/zinc/84/89/68/849848968.db2.gz SOPNGCPKMHVWEK-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038316434 849848972 /nfs/dbraw/zinc/84/89/72/849848972.db2.gz SOPNGCPKMHVWEK-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337664 849857849 /nfs/dbraw/zinc/85/78/49/849857849.db2.gz YLVYWWPWESNCIP-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337664 849857858 /nfs/dbraw/zinc/85/78/58/849857858.db2.gz YLVYWWPWESNCIP-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ncccc12 ZINC001038344422 849858108 /nfs/dbraw/zinc/85/81/08/849858108.db2.gz HTSYQMVWJOYOIN-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ncccc12 ZINC001038344422 849858112 /nfs/dbraw/zinc/85/81/12/849858112.db2.gz HTSYQMVWJOYOIN-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001038338906 849858624 /nfs/dbraw/zinc/85/86/24/849858624.db2.gz DTRZLXPJJXQCRY-JTQLQIEISA-N 1 2 299.334 0.111 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001038338906 849858632 /nfs/dbraw/zinc/85/86/32/849858632.db2.gz DTRZLXPJJXQCRY-JTQLQIEISA-N 1 2 299.334 0.111 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038422861 849890844 /nfs/dbraw/zinc/89/08/44/849890844.db2.gz ATDQCMWVBHJIAQ-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038422861 849890849 /nfs/dbraw/zinc/89/08/49/849890849.db2.gz ATDQCMWVBHJIAQ-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001038459570 849909210 /nfs/dbraw/zinc/90/92/10/849909210.db2.gz BBFBPRHQRNVQIW-LBPRGKRZSA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001038459570 849909213 /nfs/dbraw/zinc/90/92/13/849909213.db2.gz BBFBPRHQRNVQIW-LBPRGKRZSA-N 1 2 289.335 0.536 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001038499934 849924410 /nfs/dbraw/zinc/92/44/10/849924410.db2.gz GXBZRTVWODNFLX-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001038499934 849924418 /nfs/dbraw/zinc/92/44/18/849924418.db2.gz GXBZRTVWODNFLX-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001038567514 849944828 /nfs/dbraw/zinc/94/48/28/849944828.db2.gz NVRIGAFMRVZPIY-OCCSQVGLSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001038567514 849944830 /nfs/dbraw/zinc/94/48/30/849944830.db2.gz NVRIGAFMRVZPIY-OCCSQVGLSA-N 1 2 297.358 0.936 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001038827258 850031429 /nfs/dbraw/zinc/03/14/29/850031429.db2.gz QQSLFQKJFKCVOL-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001038827258 850031435 /nfs/dbraw/zinc/03/14/35/850031435.db2.gz QQSLFQKJFKCVOL-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038854541 850051135 /nfs/dbraw/zinc/05/11/35/850051135.db2.gz WXVHVWHLMHGSDU-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038854541 850051143 /nfs/dbraw/zinc/05/11/43/850051143.db2.gz WXVHVWHLMHGSDU-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001038943891 850096827 /nfs/dbraw/zinc/09/68/27/850096827.db2.gz YOZKFFXZXNZZPU-ZDUSSCGKSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001038943891 850096842 /nfs/dbraw/zinc/09/68/42/850096842.db2.gz YOZKFFXZXNZZPU-ZDUSSCGKSA-N 1 2 299.374 0.826 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712282 850489027 /nfs/dbraw/zinc/48/90/27/850489027.db2.gz MNKZYNMXLGKDCF-AWEZNQCLSA-N 1 2 273.340 0.400 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001042496924 850667911 /nfs/dbraw/zinc/66/79/11/850667911.db2.gz IVBPHLZQHGDQTA-LBPRGKRZSA-N 1 2 260.341 0.610 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001042767931 850756572 /nfs/dbraw/zinc/75/65/72/850756572.db2.gz NMMRPAUFKZYXQW-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001042891678 850774603 /nfs/dbraw/zinc/77/46/03/850774603.db2.gz FOUDPCUHYLJNLF-JSGCOSHPSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001042931145 850782092 /nfs/dbraw/zinc/78/20/92/850782092.db2.gz UVFJVZRXXVARMB-GFCCVEGCSA-N 1 2 277.368 0.811 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csnn2)C1 ZINC001043487316 850879679 /nfs/dbraw/zinc/87/96/79/850879679.db2.gz FPZIBPVIYYQKQO-UHFFFAOYSA-N 1 2 250.327 0.318 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001043568702 850899608 /nfs/dbraw/zinc/89/96/08/850899608.db2.gz CMRRYEMLYUPXFB-GFCCVEGCSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2csc(=O)[nH]2)C1 ZINC001043585578 850903773 /nfs/dbraw/zinc/90/37/73/850903773.db2.gz QDILVFFBTGNKDS-UHFFFAOYSA-N 1 2 253.327 0.791 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001043679046 850921322 /nfs/dbraw/zinc/92/13/22/850921322.db2.gz MNXHLZGVNYTGOV-LBPRGKRZSA-N 1 2 289.383 0.943 20 30 CCEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](CCO)C2)cc1 ZINC001044019664 850988064 /nfs/dbraw/zinc/98/80/64/850988064.db2.gz DGMCWILOGJLBIL-UHFFFAOYSA-N 1 2 288.347 0.447 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001044208212 851041626 /nfs/dbraw/zinc/04/16/26/851041626.db2.gz GTJWAENAKPBTLG-AWEZNQCLSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001044352436 851084788 /nfs/dbraw/zinc/08/47/88/851084788.db2.gz IELFTNQITVRLEP-UHFFFAOYSA-N 1 2 287.363 0.657 20 30 CCEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046015210 851353091 /nfs/dbraw/zinc/35/30/91/851353091.db2.gz MBRYSOIGDYDRJL-HIFRSBDPSA-N 1 2 290.411 0.775 20 30 CCEDLO CC1(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046031613 851356999 /nfs/dbraw/zinc/35/69/99/851356999.db2.gz RUVPAUGOSNLZSM-CYBMUJFWSA-N 1 2 276.384 0.529 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046151114 851399159 /nfs/dbraw/zinc/39/91/59/851399159.db2.gz CUYIJDDHJBAIDU-WCQYABFASA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046151114 851399149 /nfs/dbraw/zinc/39/91/49/851399149.db2.gz CUYIJDDHJBAIDU-WCQYABFASA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046151113 851399608 /nfs/dbraw/zinc/39/96/08/851399608.db2.gz CUYIJDDHJBAIDU-DGCLKSJQSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046151113 851399615 /nfs/dbraw/zinc/39/96/15/851399615.db2.gz CUYIJDDHJBAIDU-DGCLKSJQSA-N 1 2 288.775 0.735 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN(CC#N)C1 ZINC001046434700 851502475 /nfs/dbraw/zinc/50/24/75/851502475.db2.gz QJPZZOLGFLFZNC-WFASDCNBSA-N 1 2 287.367 0.550 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046465174 851517868 /nfs/dbraw/zinc/51/78/68/851517868.db2.gz WWVGWHZNTIGHAH-WCQYABFASA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046465174 851517875 /nfs/dbraw/zinc/51/78/75/851517875.db2.gz WWVGWHZNTIGHAH-WCQYABFASA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770187 851609023 /nfs/dbraw/zinc/60/90/23/851609023.db2.gz FKBLEHYROOCAMB-ABAIWWIYSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770187 851609027 /nfs/dbraw/zinc/60/90/27/851609027.db2.gz FKBLEHYROOCAMB-ABAIWWIYSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770187 851609033 /nfs/dbraw/zinc/60/90/33/851609033.db2.gz FKBLEHYROOCAMB-ABAIWWIYSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770187 851609039 /nfs/dbraw/zinc/60/90/39/851609039.db2.gz FKBLEHYROOCAMB-ABAIWWIYSA-N 1 2 289.383 0.676 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2CC)C1 ZINC001047520738 851801069 /nfs/dbraw/zinc/80/10/69/851801069.db2.gz ANYPMNIWPUQHJD-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2CC)C1 ZINC001047520738 851801075 /nfs/dbraw/zinc/80/10/75/851801075.db2.gz ANYPMNIWPUQHJD-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001047619054 851837601 /nfs/dbraw/zinc/83/76/01/851837601.db2.gz IVWVZDWRTZJFPC-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001047619054 851837607 /nfs/dbraw/zinc/83/76/07/851837607.db2.gz IVWVZDWRTZJFPC-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096339701 851940937 /nfs/dbraw/zinc/94/09/37/851940937.db2.gz VFRKVSLALAWEIR-ZJUUUORDSA-N 1 2 299.338 0.218 20 30 CCEDLO C[C@H](CC(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1)n1cc[nH+]c1 ZINC001049087746 852161210 /nfs/dbraw/zinc/16/12/10/852161210.db2.gz YQPJCBAKNBYEKX-MCIONIFRSA-N 1 2 287.367 0.748 20 30 CCEDLO CC(C)(C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1)c1c[nH+]c[nH]1 ZINC001049174494 852186118 /nfs/dbraw/zinc/18/61/18/852186118.db2.gz SFPRXMPSXKWOTL-TXEJJXNPSA-N 1 2 287.367 0.601 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049516571 852298797 /nfs/dbraw/zinc/29/87/97/852298797.db2.gz DFIOFYZAUATLQC-KBPBESRZSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049516571 852298808 /nfs/dbraw/zinc/29/88/08/852298808.db2.gz DFIOFYZAUATLQC-KBPBESRZSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626183 852320523 /nfs/dbraw/zinc/32/05/23/852320523.db2.gz OWOIBDLZHYADET-UONOGXRCSA-N 1 2 287.367 0.862 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001053187441 852705556 /nfs/dbraw/zinc/70/55/56/852705556.db2.gz LLQCQZXUIXQSCB-NSHDSACASA-N 1 2 251.330 0.468 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)CCO2 ZINC001053249138 852718944 /nfs/dbraw/zinc/71/89/44/852718944.db2.gz HUISUNBBNQXZNX-UHFFFAOYSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)cn1)O2 ZINC001053593038 852768884 /nfs/dbraw/zinc/76/88/84/852768884.db2.gz ZKYOJJVZPYNHBV-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]c1)CO2 ZINC001053749444 852803321 /nfs/dbraw/zinc/80/33/21/852803321.db2.gz PYECETNTAHGHBC-GFCCVEGCSA-N 1 2 274.324 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccon1)CO2 ZINC001053761301 852810896 /nfs/dbraw/zinc/81/08/96/852810896.db2.gz YHVFLQCLGFTHEF-ZDUSSCGKSA-N 1 2 289.335 0.200 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(C)c1)CO2 ZINC001053771017 852814949 /nfs/dbraw/zinc/81/49/49/852814949.db2.gz BQNLAMRBSOFUHJ-HNNXBMFYSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC1)CO2 ZINC001053810327 852827061 /nfs/dbraw/zinc/82/70/61/852827061.db2.gz QFYPCZDDDKVBQE-LBPRGKRZSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csnn1)CO2 ZINC001053882880 852837748 /nfs/dbraw/zinc/83/77/48/852837748.db2.gz KPFBSGTVPMXJTQ-SNVBAGLBSA-N 1 2 292.364 0.135 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cnoc1)CO2 ZINC001053901327 852841411 /nfs/dbraw/zinc/84/14/11/852841411.db2.gz FUFDVUKTNMUJRK-ZDUSSCGKSA-N 1 2 291.351 0.753 20 30 CCEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001054640542 852986333 /nfs/dbraw/zinc/98/63/33/852986333.db2.gz ZGBSMXHTRIXDFZ-GXFFZTMASA-N 1 2 290.392 0.888 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)nn1 ZINC001097955177 852997340 /nfs/dbraw/zinc/99/73/40/852997340.db2.gz FPGGYUOWPJWMAB-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001056587647 853175587 /nfs/dbraw/zinc/17/55/87/853175587.db2.gz MSEVFPYQCHFPII-VHSXEESVSA-N 1 2 299.338 0.536 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC001050888531 853476288 /nfs/dbraw/zinc/47/62/88/853476288.db2.gz XHGOXOISITWOAC-CQSZACIVSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC001050888531 853476291 /nfs/dbraw/zinc/47/62/91/853476291.db2.gz XHGOXOISITWOAC-CQSZACIVSA-N 1 2 290.367 0.873 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001050894637 853478475 /nfs/dbraw/zinc/47/84/75/853478475.db2.gz RLQMWXLPMFRPOP-SHARSMKWSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001050894637 853478477 /nfs/dbraw/zinc/47/84/77/853478477.db2.gz RLQMWXLPMFRPOP-SHARSMKWSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001051156158 853535071 /nfs/dbraw/zinc/53/50/71/853535071.db2.gz UJMCGVNLWPNXLM-IHRRRGAJSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001051156158 853535079 /nfs/dbraw/zinc/53/50/79/853535079.db2.gz UJMCGVNLWPNXLM-IHRRRGAJSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052063854 853681004 /nfs/dbraw/zinc/68/10/04/853681004.db2.gz YWWDGORASWBNAP-UONOGXRCSA-N 1 2 281.375 0.586 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067826 853681542 /nfs/dbraw/zinc/68/15/42/853681542.db2.gz OYDWMNVTSDMSFY-ZIAGYGMSSA-N 1 2 296.390 0.723 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001058323359 853826284 /nfs/dbraw/zinc/82/62/84/853826284.db2.gz VKTHRAOFCDSFAO-LBPRGKRZSA-N 1 2 296.334 0.994 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001070950031 854108493 /nfs/dbraw/zinc/10/84/93/854108493.db2.gz IHWHBYAACGDBQW-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001070950031 854108498 /nfs/dbraw/zinc/10/84/98/854108498.db2.gz IHWHBYAACGDBQW-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC#Cc1ccccc1 ZINC001071783465 854289009 /nfs/dbraw/zinc/28/90/09/854289009.db2.gz PEKDASYACXQZFM-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC#Cc1ccccc1 ZINC001071783465 854289013 /nfs/dbraw/zinc/28/90/13/854289013.db2.gz PEKDASYACXQZFM-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552742 854413897 /nfs/dbraw/zinc/41/38/97/854413897.db2.gz SDHGVEQDWZVHCZ-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552742 854413899 /nfs/dbraw/zinc/41/38/99/854413899.db2.gz SDHGVEQDWZVHCZ-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001072552998 854414974 /nfs/dbraw/zinc/41/49/74/854414974.db2.gz URBCZYZHAVSOAV-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001072552998 854414977 /nfs/dbraw/zinc/41/49/77/854414977.db2.gz URBCZYZHAVSOAV-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725127 854452054 /nfs/dbraw/zinc/45/20/54/854452054.db2.gz IFHFSSIJXIXCAA-GHMZBOCLSA-N 1 2 299.758 0.938 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725127 854452058 /nfs/dbraw/zinc/45/20/58/854452058.db2.gz IFHFSSIJXIXCAA-GHMZBOCLSA-N 1 2 299.758 0.938 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128106 854676963 /nfs/dbraw/zinc/67/69/63/854676963.db2.gz MNVHECVDHFJISH-KGLIPLIRSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128106 854676973 /nfs/dbraw/zinc/67/69/73/854676973.db2.gz MNVHECVDHFJISH-KGLIPLIRSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC001074360632 854715023 /nfs/dbraw/zinc/71/50/23/854715023.db2.gz OSIBPXCZSFABNO-VXGBXAGGSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC001074360632 854715026 /nfs/dbraw/zinc/71/50/26/854715026.db2.gz OSIBPXCZSFABNO-VXGBXAGGSA-N 1 2 291.355 0.296 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001074718421 854770092 /nfs/dbraw/zinc/77/00/92/854770092.db2.gz PMIBMQAUPNJCIR-SCRDCRAPSA-N 1 2 287.367 0.548 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001103117439 855498075 /nfs/dbraw/zinc/49/80/75/855498075.db2.gz HOCOPEAZRVKBOY-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001103334987 855512902 /nfs/dbraw/zinc/51/29/02/855512902.db2.gz RIXJIJHJLIDVJD-GFCCVEGCSA-N 1 2 298.350 0.648 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089847 855567325 /nfs/dbraw/zinc/56/73/25/855567325.db2.gz QSGZWLDJUCZKSF-RYUDHWBXSA-N 1 2 290.367 0.988 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000697287599 855616847 /nfs/dbraw/zinc/61/68/47/855616847.db2.gz WXIXXRKDXRHIQG-KBPBESRZSA-N 1 2 279.361 0.440 20 30 CCEDLO C=C[C@H](COC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001116841776 855844958 /nfs/dbraw/zinc/84/49/58/855844958.db2.gz OTYLZMGSZIEKHS-QWHCGFSZSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001119353040 856647293 /nfs/dbraw/zinc/64/72/93/856647293.db2.gz RPYGSTQMJPMURB-LLVKDONJSA-N 1 2 268.357 0.952 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccsc2)C1 ZINC001119472504 856697828 /nfs/dbraw/zinc/69/78/28/856697828.db2.gz SVTVULURXAQMPR-LLVKDONJSA-N 1 2 291.376 0.900 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccsc2)C1 ZINC001119472504 856697830 /nfs/dbraw/zinc/69/78/30/856697830.db2.gz SVTVULURXAQMPR-LLVKDONJSA-N 1 2 291.376 0.900 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2csc(C#N)c2)C[C@H]1CO ZINC001119596809 856768602 /nfs/dbraw/zinc/76/86/02/856768602.db2.gz WQFARUKMJJLCQP-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2csc(C#N)c2)C[C@H]1CO ZINC001119596809 856768605 /nfs/dbraw/zinc/76/86/05/856768605.db2.gz WQFARUKMJJLCQP-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(C=O)CC1)C(=O)OCC ZINC001119959024 856935226 /nfs/dbraw/zinc/93/52/26/856935226.db2.gz MAOKBKPNVGAYPR-GFCCVEGCSA-N 1 2 254.330 0.705 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001119979710 856945499 /nfs/dbraw/zinc/94/54/99/856945499.db2.gz QKLGFOXXMNXZMR-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001119980021 856945930 /nfs/dbraw/zinc/94/59/30/856945930.db2.gz SQUZTINSRQMKMC-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CCn1ncc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001392888847 912238586 /nfs/dbraw/zinc/23/85/86/912238586.db2.gz HHUJLFCDXPVPHG-SNVBAGLBSA-N 1 2 276.344 0.196 20 30 CCEDLO N#Cc1cc(C(=O)NCC2([NH2+]Cc3cnon3)CC2)c[nH]1 ZINC001392903788 912253481 /nfs/dbraw/zinc/25/34/81/912253481.db2.gz XRZBZOXTXOJKLI-UHFFFAOYSA-N 1 2 286.295 0.322 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CN1CCc2ccccc21 ZINC001323358672 912295636 /nfs/dbraw/zinc/29/56/36/912295636.db2.gz VZLKTDAHQRTIET-OAHLLOKOSA-N 1 2 283.375 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CCc2ccccc21 ZINC001323358672 912295654 /nfs/dbraw/zinc/29/56/54/912295654.db2.gz VZLKTDAHQRTIET-OAHLLOKOSA-N 1 2 283.375 0.873 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001323548489 912408891 /nfs/dbraw/zinc/40/88/91/912408891.db2.gz PHELFOFRIFCNHD-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1 ZINC001323579523 912428299 /nfs/dbraw/zinc/42/82/99/912428299.db2.gz HTDQXJQJTSIBJJ-UHFFFAOYSA-N 1 2 255.709 0.409 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1 ZINC001323579523 912428307 /nfs/dbraw/zinc/42/83/07/912428307.db2.gz HTDQXJQJTSIBJJ-UHFFFAOYSA-N 1 2 255.709 0.409 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)cc1F ZINC001324072254 912654751 /nfs/dbraw/zinc/65/47/51/912654751.db2.gz LMQBFYWWBVYJTQ-UHFFFAOYSA-N 1 2 295.339 0.847 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001325627344 913499989 /nfs/dbraw/zinc/49/99/89/913499989.db2.gz GIBBRVGWRNGWQJ-UHFFFAOYSA-N 1 2 288.351 0.529 20 30 CCEDLO Cn1nncc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480859507 891401131 /nfs/dbraw/zinc/40/11/31/891401131.db2.gz LMAGDRIESUDRSU-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO Cn1nncc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480859507 891401135 /nfs/dbraw/zinc/40/11/35/891401135.db2.gz LMAGDRIESUDRSU-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO CN(CC#N)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001480884622 891553471 /nfs/dbraw/zinc/55/34/71/891553471.db2.gz QCBQQBCMBQHGLC-LLVKDONJSA-N 1 2 261.329 0.017 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CO[C@@H]1CCOC1 ZINC001480973900 892001509 /nfs/dbraw/zinc/00/15/09/892001509.db2.gz BJNUSOBYTHESKO-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CO[C@@H]1CCOC1 ZINC001480973900 892001526 /nfs/dbraw/zinc/00/15/26/892001526.db2.gz BJNUSOBYTHESKO-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001481058851 892121127 /nfs/dbraw/zinc/12/11/27/892121127.db2.gz IPCMCOAQIDDTJQ-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001481058851 892121137 /nfs/dbraw/zinc/12/11/37/892121137.db2.gz IPCMCOAQIDDTJQ-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481525490 892774995 /nfs/dbraw/zinc/77/49/95/892774995.db2.gz IPSSLGSTCNFQAJ-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481525490 892775004 /nfs/dbraw/zinc/77/50/04/892775004.db2.gz IPSSLGSTCNFQAJ-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001481529229 892776698 /nfs/dbraw/zinc/77/66/98/892776698.db2.gz CATSUHJZMQCEHA-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001481529229 892776706 /nfs/dbraw/zinc/77/67/06/892776706.db2.gz CATSUHJZMQCEHA-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481642697 892953077 /nfs/dbraw/zinc/95/30/77/892953077.db2.gz NQSGMPKRMYUNRG-YGRLFVJLSA-N 1 2 267.373 0.511 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCCN1CC#N ZINC001284132805 893316714 /nfs/dbraw/zinc/31/67/14/893316714.db2.gz XKLDKANSVMNMDF-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCOC1 ZINC001496672713 893370348 /nfs/dbraw/zinc/37/03/48/893370348.db2.gz SWBJRWFYMNFPKC-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCOC1 ZINC001496672713 893370364 /nfs/dbraw/zinc/37/03/64/893370364.db2.gz SWBJRWFYMNFPKC-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)o1 ZINC001482266219 893709255 /nfs/dbraw/zinc/70/92/55/893709255.db2.gz LZHNQEMNONVSDI-BDAKNGLRSA-N 1 2 265.317 0.474 20 30 CCEDLO Cc1ccc(C#N)c(N(C)CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001396101815 913809306 /nfs/dbraw/zinc/80/93/06/913809306.db2.gz AJWCYVGLYMGICL-UHFFFAOYSA-N 1 2 298.350 0.711 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OC ZINC001299178719 894113465 /nfs/dbraw/zinc/11/34/65/894113465.db2.gz MUXLNTKFVPTURM-WDEREUQCSA-N 1 2 275.308 0.127 20 30 CCEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423180812 894146594 /nfs/dbraw/zinc/14/65/94/894146594.db2.gz TYVPGVPXRGTICX-LLVKDONJSA-N 1 2 282.775 0.906 20 30 CCEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1nc[nH]n1 ZINC001482636525 894433289 /nfs/dbraw/zinc/43/32/89/894433289.db2.gz YYUZNANEMRRGHN-UHFFFAOYSA-N 1 2 298.350 0.880 20 30 CCEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1nc[nH]n1 ZINC001482636525 894433296 /nfs/dbraw/zinc/43/32/96/894433296.db2.gz YYUZNANEMRRGHN-UHFFFAOYSA-N 1 2 298.350 0.880 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482764453 894583207 /nfs/dbraw/zinc/58/32/07/894583207.db2.gz RBRSNCKDSKBQTI-FZMZJTMJSA-N 1 2 296.371 0.547 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cncn1 ZINC001409493127 895204209 /nfs/dbraw/zinc/20/42/09/895204209.db2.gz LVLKAMYOFFWTII-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCn1cncn1 ZINC001409493127 895204225 /nfs/dbraw/zinc/20/42/25/895204225.db2.gz LVLKAMYOFFWTII-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001483632296 895752641 /nfs/dbraw/zinc/75/26/41/895752641.db2.gz MAKUGOPOOKGDDJ-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001483632296 895752655 /nfs/dbraw/zinc/75/26/55/895752655.db2.gz MAKUGOPOOKGDDJ-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC001483667047 895821176 /nfs/dbraw/zinc/82/11/76/895821176.db2.gz XDVKHQRIJOJQCZ-CYBMUJFWSA-N 1 2 260.341 0.324 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC001483667047 895821187 /nfs/dbraw/zinc/82/11/87/895821187.db2.gz XDVKHQRIJOJQCZ-CYBMUJFWSA-N 1 2 260.341 0.324 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001483673677 895831191 /nfs/dbraw/zinc/83/11/91/895831191.db2.gz SDMWWLLCRYOWRM-STQMWFEESA-N 1 2 270.348 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001483673677 895831199 /nfs/dbraw/zinc/83/11/99/895831199.db2.gz SDMWWLLCRYOWRM-STQMWFEESA-N 1 2 270.348 0.821 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001483882899 896090113 /nfs/dbraw/zinc/09/01/13/896090113.db2.gz KSBYZLYEZBGJSP-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)NC(C)=O)C1 ZINC001483888910 896107019 /nfs/dbraw/zinc/10/70/19/896107019.db2.gz IGPCKHDRYUTPAX-AWEZNQCLSA-N 1 2 281.400 0.866 20 30 CCEDLO N#CCSCC(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001326613358 914047628 /nfs/dbraw/zinc/04/76/28/914047628.db2.gz TZJYIIWZQZRYET-ZDUSSCGKSA-N 1 2 297.424 0.860 20 30 CCEDLO N#CCSCC(=O)NC[C@H]1COCC[N@H+]1CC1CCC1 ZINC001326613358 914047647 /nfs/dbraw/zinc/04/76/47/914047647.db2.gz TZJYIIWZQZRYET-ZDUSSCGKSA-N 1 2 297.424 0.860 20 30 CCEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)co1 ZINC001484208632 896243726 /nfs/dbraw/zinc/24/37/26/896243726.db2.gz OTIVTARSIQOYJF-QMTHXVAHSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)co1 ZINC001484208632 896243736 /nfs/dbraw/zinc/24/37/36/896243736.db2.gz OTIVTARSIQOYJF-QMTHXVAHSA-N 1 2 292.339 0.196 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001484274645 896304142 /nfs/dbraw/zinc/30/41/42/896304142.db2.gz KUTRMKHLDCJQFO-UHFFFAOYSA-N 1 2 266.385 0.855 20 30 CCEDLO CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001484482066 896432717 /nfs/dbraw/zinc/43/27/17/896432717.db2.gz FLYNHEYXCFONBC-UHFFFAOYSA-N 1 2 294.355 0.030 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001484588342 896484952 /nfs/dbraw/zinc/48/49/52/896484952.db2.gz XEXIOWDOOGSLQQ-KGLIPLIRSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001484588342 896484965 /nfs/dbraw/zinc/48/49/65/896484965.db2.gz XEXIOWDOOGSLQQ-KGLIPLIRSA-N 1 2 292.383 0.837 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccc[nH]1 ZINC001484607290 896493938 /nfs/dbraw/zinc/49/39/38/896493938.db2.gz MFFPOIFECCLHJK-CQSZACIVSA-N 1 2 275.352 0.398 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccc[nH]1 ZINC001484607290 896493945 /nfs/dbraw/zinc/49/39/45/896493945.db2.gz MFFPOIFECCLHJK-CQSZACIVSA-N 1 2 275.352 0.398 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)O2 ZINC001484784644 896601004 /nfs/dbraw/zinc/60/10/04/896601004.db2.gz ONWLZUIIEPFEKN-RYUDHWBXSA-N 1 2 295.383 0.034 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N)nn1C ZINC001485288561 896917943 /nfs/dbraw/zinc/91/79/43/896917943.db2.gz WRLYPFXVSVCRHX-PWSUYJOCSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N)nn1C ZINC001485288561 896917953 /nfs/dbraw/zinc/91/79/53/896917953.db2.gz WRLYPFXVSVCRHX-PWSUYJOCSA-N 1 2 277.372 0.825 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001485288910 896920937 /nfs/dbraw/zinc/92/09/37/896920937.db2.gz XETJJRHMPYBKHP-MNOVXSKESA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001485288910 896920947 /nfs/dbraw/zinc/92/09/47/896920947.db2.gz XETJJRHMPYBKHP-MNOVXSKESA-N 1 2 278.360 0.394 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CSCCC)C1 ZINC001485398918 897028028 /nfs/dbraw/zinc/02/80/28/897028028.db2.gz JXIINIPPYDIFGS-UHFFFAOYSA-N 1 2 284.425 0.706 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)C2CCC2)C1 ZINC001485410741 897031258 /nfs/dbraw/zinc/03/12/58/897031258.db2.gz WSPPSSOLJAHENQ-CYBMUJFWSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(C#C)cc2)C1 ZINC001485412739 897041261 /nfs/dbraw/zinc/04/12/61/897041261.db2.gz DVMNDOYYIADTLJ-UHFFFAOYSA-N 1 2 296.370 0.858 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC001485594192 897137828 /nfs/dbraw/zinc/13/78/28/897137828.db2.gz IQYMLRPFQJLVAI-XYYAHUGASA-N 1 2 289.383 0.575 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC001485594192 897137836 /nfs/dbraw/zinc/13/78/36/897137836.db2.gz IQYMLRPFQJLVAI-XYYAHUGASA-N 1 2 289.383 0.575 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)[nH]n2)C1 ZINC001107860836 897379641 /nfs/dbraw/zinc/37/96/41/897379641.db2.gz YUGGDMYHRBPZKO-OAHLLOKOSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)[nH]n2)C1 ZINC001107860836 897379649 /nfs/dbraw/zinc/37/96/49/897379649.db2.gz YUGGDMYHRBPZKO-OAHLLOKOSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)n[nH]2)C1 ZINC001107860836 897379661 /nfs/dbraw/zinc/37/96/61/897379661.db2.gz YUGGDMYHRBPZKO-OAHLLOKOSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)n[nH]2)C1 ZINC001107860836 897379674 /nfs/dbraw/zinc/37/96/74/897379674.db2.gz YUGGDMYHRBPZKO-OAHLLOKOSA-N 1 2 292.383 0.654 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001326769728 914154520 /nfs/dbraw/zinc/15/45/20/914154520.db2.gz UINGZSBTUPFYRT-RWMBFGLXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001326769728 914154531 /nfs/dbraw/zinc/15/45/31/914154531.db2.gz UINGZSBTUPFYRT-RWMBFGLXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)cn2)C1 ZINC001107873072 897410180 /nfs/dbraw/zinc/41/01/80/897410180.db2.gz YKEPTKJNLLHPCK-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)cn2)C1 ZINC001107873072 897410186 /nfs/dbraw/zinc/41/01/86/897410186.db2.gz YKEPTKJNLLHPCK-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C[C@H](CNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107888751 897440756 /nfs/dbraw/zinc/44/07/56/897440756.db2.gz GHLNKUSQKQLWQT-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107900476 897466064 /nfs/dbraw/zinc/46/60/64/897466064.db2.gz OVEWEOQKWQCLTQ-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C#CCN1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909442 897484060 /nfs/dbraw/zinc/48/40/60/897484060.db2.gz WRXIJSWTDKMPMK-OAHLLOKOSA-N 1 2 290.367 0.183 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC)n2)C1 ZINC001107919850 897498726 /nfs/dbraw/zinc/49/87/26/897498726.db2.gz GTAMZOKDWNMIRJ-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC)n2)C1 ZINC001107919850 897498737 /nfs/dbraw/zinc/49/87/37/897498737.db2.gz GTAMZOKDWNMIRJ-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107923113 897501008 /nfs/dbraw/zinc/50/10/08/897501008.db2.gz BTFDZKUFWXFTLV-AAEUAGOBSA-N 1 2 286.322 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107923113 897501027 /nfs/dbraw/zinc/50/10/27/897501027.db2.gz BTFDZKUFWXFTLV-AAEUAGOBSA-N 1 2 286.322 0.872 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1NC(C)=O ZINC001032438308 897566810 /nfs/dbraw/zinc/56/68/10/897566810.db2.gz RIAAQDZQKBWQCJ-STQMWFEESA-N 1 2 298.346 0.572 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1NC(C)=O ZINC001032438308 897566819 /nfs/dbraw/zinc/56/68/19/897566819.db2.gz RIAAQDZQKBWQCJ-STQMWFEESA-N 1 2 298.346 0.572 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ncn1C ZINC001032459045 897590438 /nfs/dbraw/zinc/59/04/38/897590438.db2.gz TXLURHCZSGXYJQ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ncn1C ZINC001032459045 897590454 /nfs/dbraw/zinc/59/04/54/897590454.db2.gz TXLURHCZSGXYJQ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)nn(C)c1C ZINC001032548507 897731631 /nfs/dbraw/zinc/73/16/31/897731631.db2.gz RJHQGNGSQQXGEO-KBPBESRZSA-N 1 2 286.379 0.498 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)nn(C)c1C ZINC001032548507 897731635 /nfs/dbraw/zinc/73/16/35/897731635.db2.gz RJHQGNGSQQXGEO-KBPBESRZSA-N 1 2 286.379 0.498 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001032563068 897750390 /nfs/dbraw/zinc/75/03/90/897750390.db2.gz MJQZOUARCSBCKK-AVGNSLFASA-N 1 2 293.411 0.960 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001032563068 897750394 /nfs/dbraw/zinc/75/03/94/897750394.db2.gz MJQZOUARCSBCKK-AVGNSLFASA-N 1 2 293.411 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(OC)c1 ZINC001032591120 897787051 /nfs/dbraw/zinc/78/70/51/897787051.db2.gz PGHUTZXVRIDIDD-KBPBESRZSA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(OC)c1 ZINC001032591120 897787061 /nfs/dbraw/zinc/78/70/61/897787061.db2.gz PGHUTZXVRIDIDD-KBPBESRZSA-N 1 2 285.347 0.931 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650274 897896236 /nfs/dbraw/zinc/89/62/36/897896236.db2.gz GMEPUVFKABMCLG-RYUDHWBXSA-N 1 2 280.759 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)n1 ZINC001032658382 897905423 /nfs/dbraw/zinc/90/54/23/897905423.db2.gz IBAUNBJNEQLQHE-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)n1 ZINC001032658382 897905428 /nfs/dbraw/zinc/90/54/28/897905428.db2.gz IBAUNBJNEQLQHE-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(COC)n1 ZINC001032706790 897949409 /nfs/dbraw/zinc/94/94/09/897949409.db2.gz IHTPUYKDQDWEFO-RYUDHWBXSA-N 1 2 289.335 0.743 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(COC)n1 ZINC001032706790 897949424 /nfs/dbraw/zinc/94/94/24/897949424.db2.gz IHTPUYKDQDWEFO-RYUDHWBXSA-N 1 2 289.335 0.743 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001108010075 898107960 /nfs/dbraw/zinc/10/79/60/898107960.db2.gz MLQZBKMGTRSZHK-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001108010075 898107968 /nfs/dbraw/zinc/10/79/68/898107968.db2.gz MLQZBKMGTRSZHK-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001077955006 898108881 /nfs/dbraw/zinc/10/88/81/898108881.db2.gz PRNFXLOBSXUTAQ-PSASIEDQSA-N 1 2 299.783 0.595 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001077955006 898108890 /nfs/dbraw/zinc/10/88/90/898108890.db2.gz PRNFXLOBSXUTAQ-PSASIEDQSA-N 1 2 299.783 0.595 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC001116555414 898110484 /nfs/dbraw/zinc/11/04/84/898110484.db2.gz FXKQVLMCOPRLIC-SNVBAGLBSA-N 1 2 278.360 0.297 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC001116555414 898110503 /nfs/dbraw/zinc/11/05/03/898110503.db2.gz FXKQVLMCOPRLIC-SNVBAGLBSA-N 1 2 278.360 0.297 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099632263 898298911 /nfs/dbraw/zinc/29/89/11/898298911.db2.gz AIEWAURHCYMWRZ-QWRGUYRKSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099632263 898298927 /nfs/dbraw/zinc/29/89/27/898298927.db2.gz AIEWAURHCYMWRZ-QWRGUYRKSA-N 1 2 276.764 0.327 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cc[nH+]c1 ZINC001108036025 898428183 /nfs/dbraw/zinc/42/81/83/898428183.db2.gz UVOKPDGYFCORDZ-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2cccs2)C1 ZINC001325167702 899925116 /nfs/dbraw/zinc/92/51/16/899925116.db2.gz ARVKKGUDWDXZRG-UHFFFAOYSA-N 1 2 278.377 0.477 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001488675710 900340170 /nfs/dbraw/zinc/34/01/70/900340170.db2.gz HGWQPYZNVSOITN-HOCLYGCPSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001488675710 900340177 /nfs/dbraw/zinc/34/01/77/900340177.db2.gz HGWQPYZNVSOITN-HOCLYGCPSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490449431 900624264 /nfs/dbraw/zinc/62/42/64/900624264.db2.gz RFFCPGZHPBIETP-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490449431 900624266 /nfs/dbraw/zinc/62/42/66/900624266.db2.gz RFFCPGZHPBIETP-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001490435166 900629612 /nfs/dbraw/zinc/62/96/12/900629612.db2.gz JOSPNMHSDHXFSL-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001490435166 900629623 /nfs/dbraw/zinc/62/96/23/900629623.db2.gz JOSPNMHSDHXFSL-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001490435168 900630598 /nfs/dbraw/zinc/63/05/98/900630598.db2.gz JOSPNMHSDHXFSL-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001490435168 900630601 /nfs/dbraw/zinc/63/06/01/900630601.db2.gz JOSPNMHSDHXFSL-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCCCC(=O)NCC[NH+]1CCN(CC#CC)CC1 ZINC001490490283 900639105 /nfs/dbraw/zinc/63/91/05/900639105.db2.gz AVTAVMFCTAPCSO-UHFFFAOYSA-N 1 2 275.396 0.547 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001323286960 901045236 /nfs/dbraw/zinc/04/52/36/901045236.db2.gz JQRYTBHTTYMWQW-QWHCGFSZSA-N 1 2 279.384 0.505 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001323286960 901045247 /nfs/dbraw/zinc/04/52/47/901045247.db2.gz JQRYTBHTTYMWQW-QWHCGFSZSA-N 1 2 279.384 0.505 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)[nH]1 ZINC001412418761 901705666 /nfs/dbraw/zinc/70/56/66/901705666.db2.gz OBIQSQBIEKYGCA-LBPRGKRZSA-N 1 2 270.296 0.396 20 30 CCEDLO Cc1cc(NC[C@@]2(CO)COCC[N@H+]2C)ncc1C#N ZINC001412915557 902355422 /nfs/dbraw/zinc/35/54/22/902355422.db2.gz CHYFMGJSVALGGD-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1cc(NC[C@@]2(CO)COCC[N@@H+]2C)ncc1C#N ZINC001412915557 902355432 /nfs/dbraw/zinc/35/54/32/902355432.db2.gz CHYFMGJSVALGGD-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)n1cnc(C#N)n1 ZINC001413326339 902875436 /nfs/dbraw/zinc/87/54/36/902875436.db2.gz KGGMNTVHAGIFQY-JTQLQIEISA-N 1 2 287.327 0.459 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001413711146 903204867 /nfs/dbraw/zinc/20/48/67/903204867.db2.gz FAFZKEXHLSVPCU-JTNHKYCSSA-N 1 2 274.324 0.665 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001280862919 904161708 /nfs/dbraw/zinc/16/17/08/904161708.db2.gz BHFNUNHONVMWIU-RYUDHWBXSA-N 1 2 291.355 0.444 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001398699749 914792577 /nfs/dbraw/zinc/79/25/77/914792577.db2.gz WQDIVKRGHSPIKS-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@H](C)[NH2+]Cc1csnn1 ZINC001282099126 904412046 /nfs/dbraw/zinc/41/20/46/904412046.db2.gz ZJJISYYSICXXQJ-DTWKUNHWSA-N 1 2 299.425 0.778 20 30 CCEDLO CC[NH+]1CC(CCO)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001282514223 904498245 /nfs/dbraw/zinc/49/82/45/904498245.db2.gz LYDHAESAHZNJQN-UHFFFAOYSA-N 1 2 262.313 0.073 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC1(CCO)C[NH+](CC(=C)C)C1 ZINC001282511513 904499044 /nfs/dbraw/zinc/49/90/44/904499044.db2.gz UVGSCSBSJGMNCK-ZDUSSCGKSA-N 1 2 280.368 0.154 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283247789 904777709 /nfs/dbraw/zinc/77/77/09/904777709.db2.gz IAQAJSCWAWFDGT-RYUDHWBXSA-N 1 2 277.372 0.986 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)CCc1[nH+]ccn1C ZINC001283311168 904800780 /nfs/dbraw/zinc/80/07/80/904800780.db2.gz FUBGPQZJBNOIBW-LLVKDONJSA-N 1 2 291.355 0.135 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNC(=O)[C@@H](C)C#N ZINC001283641201 904941523 /nfs/dbraw/zinc/94/15/23/904941523.db2.gz MUUDWYOOGLODLE-JTQLQIEISA-N 1 2 291.355 0.385 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001284318063 905247303 /nfs/dbraw/zinc/24/73/03/905247303.db2.gz VQNKONXSJRRCOR-MNOVXSKESA-N 1 2 294.355 0.164 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001284318066 905249954 /nfs/dbraw/zinc/24/99/54/905249954.db2.gz VQNKONXSJRRCOR-WDEREUQCSA-N 1 2 294.355 0.164 20 30 CCEDLO CCn1nncc1C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001377959117 905277702 /nfs/dbraw/zinc/27/77/02/905277702.db2.gz FYHRBUULRCNVFR-SNVBAGLBSA-N 1 2 276.344 0.006 20 30 CCEDLO CC(C)=CC(=O)N(CC[N@H+](C)CC(=O)NCC#N)C(C)C ZINC001284527842 905359811 /nfs/dbraw/zinc/35/98/11/905359811.db2.gz QZVXNMPNUPMKTF-UHFFFAOYSA-N 1 2 294.399 0.761 20 30 CCEDLO CC(C)=CC(=O)N(CC[N@@H+](C)CC(=O)NCC#N)C(C)C ZINC001284527842 905359828 /nfs/dbraw/zinc/35/98/28/905359828.db2.gz QZVXNMPNUPMKTF-UHFFFAOYSA-N 1 2 294.399 0.761 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001378103504 905423030 /nfs/dbraw/zinc/42/30/30/905423030.db2.gz QOYWEXGGXVQEQB-DGCLKSJQSA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001378103504 905423042 /nfs/dbraw/zinc/42/30/42/905423042.db2.gz QOYWEXGGXVQEQB-DGCLKSJQSA-N 1 2 288.351 0.940 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001284932882 905495625 /nfs/dbraw/zinc/49/56/25/905495625.db2.gz XVYVPTLVYFINLV-UHFFFAOYSA-N 1 2 290.367 0.646 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2C[C@H]2C)CC1 ZINC001286473584 905881063 /nfs/dbraw/zinc/88/10/63/905881063.db2.gz UFJHJHKXFHXRTP-YPMHNXCESA-N 1 2 259.357 0.923 20 30 CCEDLO CC#CCCCC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001292998331 906381578 /nfs/dbraw/zinc/38/15/78/906381578.db2.gz FQBWGVYUYZRVDT-UHFFFAOYSA-N 1 2 290.367 0.389 20 30 CCEDLO C=C[C@@H](COC)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001335498060 906826791 /nfs/dbraw/zinc/82/67/91/906826791.db2.gz QMWIXLVNRZGNEJ-RYUDHWBXSA-N 1 2 266.345 0.605 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491707241 907530391 /nfs/dbraw/zinc/53/03/91/907530391.db2.gz COWSVOBRMNKRAU-RYUDHWBXSA-N 1 2 291.355 0.616 20 30 CCEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)NC(C)(C)C ZINC001492248460 907802833 /nfs/dbraw/zinc/80/28/33/907802833.db2.gz WAIMLIJHPSRYLE-UHFFFAOYSA-N 1 2 295.427 0.999 20 30 CCEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)NC(C)(C)C ZINC001492248460 907802841 /nfs/dbraw/zinc/80/28/41/907802841.db2.gz WAIMLIJHPSRYLE-UHFFFAOYSA-N 1 2 295.427 0.999 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001492369484 907876836 /nfs/dbraw/zinc/87/68/36/907876836.db2.gz HQTIPBLVQROYQG-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001492369484 907876847 /nfs/dbraw/zinc/87/68/47/907876847.db2.gz HQTIPBLVQROYQG-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C)CC1 ZINC001338074687 921359829 /nfs/dbraw/zinc/35/98/29/921359829.db2.gz ABJAXKYPMMTNLX-UHFFFAOYSA-N 1 2 296.378 0.556 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)n2ncc(C#N)c2N)c[nH+]1 ZINC001301626110 907981869 /nfs/dbraw/zinc/98/18/69/907981869.db2.gz YFTWANQRGIYHFJ-UHFFFAOYSA-N 1 2 258.285 0.917 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001317241232 907994912 /nfs/dbraw/zinc/99/49/12/907994912.db2.gz LAXLLHPIDWQRMZ-QWRGUYRKSA-N 1 2 294.355 0.573 20 30 CCEDLO C[N@H+](CCNC(=O)CCC1(C)CC1)CC(=O)NCC#N ZINC001317467946 908276324 /nfs/dbraw/zinc/27/63/24/908276324.db2.gz MOXIZHAXLMEXGN-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)CCC1(C)CC1)CC(=O)NCC#N ZINC001317467946 908276337 /nfs/dbraw/zinc/27/63/37/908276337.db2.gz MOXIZHAXLMEXGN-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO N#CCN1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001308560353 908422982 /nfs/dbraw/zinc/42/29/82/908422982.db2.gz MCURSFMPDBDMKK-UHFFFAOYSA-N 1 2 257.297 0.864 20 30 CCEDLO C#C[C@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001310254248 908493420 /nfs/dbraw/zinc/49/34/20/908493420.db2.gz BHOCPUFEOYPSRE-SNVBAGLBSA-N 1 2 258.281 0.758 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCc1ccc[nH+]c1N ZINC001313097071 908652513 /nfs/dbraw/zinc/65/25/13/908652513.db2.gz JGTAEIKGUIPCBY-NSHDSACASA-N 1 2 262.313 0.501 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnnn1C ZINC001316888728 908820603 /nfs/dbraw/zinc/82/06/03/908820603.db2.gz OASIWCONHIIHBQ-WDEREUQCSA-N 1 2 293.375 0.259 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnnn1C ZINC001316888728 908820620 /nfs/dbraw/zinc/82/06/20/908820620.db2.gz OASIWCONHIIHBQ-WDEREUQCSA-N 1 2 293.375 0.259 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001316976125 908894347 /nfs/dbraw/zinc/89/43/47/908894347.db2.gz KGBQSUNTHRIQFH-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001316976125 908894370 /nfs/dbraw/zinc/89/43/70/908894370.db2.gz KGBQSUNTHRIQFH-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001317168237 909029566 /nfs/dbraw/zinc/02/95/66/909029566.db2.gz BSRYQZHZIGLLDG-LBPRGKRZSA-N 1 2 275.356 0.341 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001317168237 909029586 /nfs/dbraw/zinc/02/95/86/909029586.db2.gz BSRYQZHZIGLLDG-LBPRGKRZSA-N 1 2 275.356 0.341 20 30 CCEDLO C[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NCC(C)(C)C ZINC001317448781 909218654 /nfs/dbraw/zinc/21/86/54/909218654.db2.gz ZOPCMEBBQUBCOV-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NCC(C)(C)C ZINC001317448781 909218665 /nfs/dbraw/zinc/21/86/65/909218665.db2.gz ZOPCMEBBQUBCOV-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC1(F)F ZINC001317448606 909222601 /nfs/dbraw/zinc/22/26/01/909222601.db2.gz ABIPREHFCRREMZ-JTQLQIEISA-N 1 2 289.326 0.382 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC1(F)F ZINC001317448606 909222616 /nfs/dbraw/zinc/22/26/16/909222616.db2.gz ABIPREHFCRREMZ-JTQLQIEISA-N 1 2 289.326 0.382 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1[nH]c(C)cc1C ZINC001317452040 909227099 /nfs/dbraw/zinc/22/70/99/909227099.db2.gz UGXAVBNGCFYHDT-UHFFFAOYSA-N 1 2 292.383 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1[nH]c(C)cc1C ZINC001317452040 909227115 /nfs/dbraw/zinc/22/71/15/909227115.db2.gz UGXAVBNGCFYHDT-UHFFFAOYSA-N 1 2 292.383 0.595 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001317956715 909551678 /nfs/dbraw/zinc/55/16/78/909551678.db2.gz LXERFVJGWDPXGI-RYUDHWBXSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001317956715 909551685 /nfs/dbraw/zinc/55/16/85/909551685.db2.gz LXERFVJGWDPXGI-RYUDHWBXSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#C)C1 ZINC001317968600 909554479 /nfs/dbraw/zinc/55/44/79/909554479.db2.gz CDCHLYUOWCLGHO-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#C)C1 ZINC001317968600 909554491 /nfs/dbraw/zinc/55/44/91/909554491.db2.gz CDCHLYUOWCLGHO-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO Cn1cncc1C[NH+]1CC(CNC(=O)CSCC#N)C1 ZINC001318101615 909618140 /nfs/dbraw/zinc/61/81/40/909618140.db2.gz VUGVKCCAOATSRG-UHFFFAOYSA-N 1 2 293.396 0.225 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(OC)CCC1 ZINC001318195247 909662854 /nfs/dbraw/zinc/66/28/54/909662854.db2.gz CAXRGVLDNVKGHV-STQMWFEESA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(OC)CCC1 ZINC001318195247 909662860 /nfs/dbraw/zinc/66/28/60/909662860.db2.gz CAXRGVLDNVKGHV-STQMWFEESA-N 1 2 262.353 0.864 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001318269224 909682948 /nfs/dbraw/zinc/68/29/48/909682948.db2.gz OQHBSGRDANJODU-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001318269224 909682954 /nfs/dbraw/zinc/68/29/54/909682954.db2.gz OQHBSGRDANJODU-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001318311924 909700571 /nfs/dbraw/zinc/70/05/71/909700571.db2.gz GXYXGWOCINTPOC-ZIAGYGMSSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001318311924 909700577 /nfs/dbraw/zinc/70/05/77/909700577.db2.gz GXYXGWOCINTPOC-ZIAGYGMSSA-N 1 2 291.395 0.835 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001389448797 909899665 /nfs/dbraw/zinc/89/96/65/909899665.db2.gz JESLCOIATFKUIU-CMPLNLGQSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001389448797 909899675 /nfs/dbraw/zinc/89/96/75/909899675.db2.gz JESLCOIATFKUIU-CMPLNLGQSA-N 1 2 273.340 0.635 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)c2)C1 ZINC001319330288 910100786 /nfs/dbraw/zinc/10/07/86/910100786.db2.gz AHQOTCZGUFLUQC-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)c2)C1 ZINC001319330288 910100793 /nfs/dbraw/zinc/10/07/93/910100793.db2.gz AHQOTCZGUFLUQC-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2cnccn2)C1 ZINC001319329857 910101849 /nfs/dbraw/zinc/10/18/49/910101849.db2.gz JCPBQNZVGOGZHS-CQSZACIVSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2cnccn2)C1 ZINC001319329857 910101864 /nfs/dbraw/zinc/10/18/64/910101864.db2.gz JCPBQNZVGOGZHS-CQSZACIVSA-N 1 2 290.367 0.412 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001319922261 910355375 /nfs/dbraw/zinc/35/53/75/910355375.db2.gz MAMQHAGFHBHWQH-GXTWGEPZSA-N 1 2 289.383 0.699 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)/C(C)=C/C ZINC001319990503 910402832 /nfs/dbraw/zinc/40/28/32/910402832.db2.gz QSCLDCNKXGXDPW-KPKJPENVSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)/C(C)=C/C ZINC001319990503 910402844 /nfs/dbraw/zinc/40/28/44/910402844.db2.gz QSCLDCNKXGXDPW-KPKJPENVSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320232234 910525188 /nfs/dbraw/zinc/52/51/88/910525188.db2.gz NRDBTYNRGYWNRU-RQJHMYQMSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001320232234 910525203 /nfs/dbraw/zinc/52/52/03/910525203.db2.gz NRDBTYNRGYWNRU-RQJHMYQMSA-N 1 2 258.215 0.140 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001391373563 911081820 /nfs/dbraw/zinc/08/18/20/911081820.db2.gz NMTVOASXDPTSBE-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001391373563 911081838 /nfs/dbraw/zinc/08/18/38/911081838.db2.gz NMTVOASXDPTSBE-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC001391663912 911307622 /nfs/dbraw/zinc/30/76/22/911307622.db2.gz BNGZAQKETGOECU-VHSXEESVSA-N 1 2 294.359 0.280 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001392264648 911678417 /nfs/dbraw/zinc/67/84/17/911678417.db2.gz FZKGCJNYTUEYBL-CHWSQXEVSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001392264648 911678425 /nfs/dbraw/zinc/67/84/25/911678425.db2.gz FZKGCJNYTUEYBL-CHWSQXEVSA-N 1 2 296.415 0.841 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001392272692 911690912 /nfs/dbraw/zinc/69/09/12/911690912.db2.gz NDYREVODVPLQKL-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001392272692 911690916 /nfs/dbraw/zinc/69/09/16/911690916.db2.gz NDYREVODVPLQKL-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001392281265 911692527 /nfs/dbraw/zinc/69/25/27/911692527.db2.gz KJRTYDFUSYZENF-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001392281265 911692545 /nfs/dbraw/zinc/69/25/45/911692545.db2.gz KJRTYDFUSYZENF-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001323232914 912206509 /nfs/dbraw/zinc/20/65/09/912206509.db2.gz SNFLPHYIFDAWJK-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001323232914 912206522 /nfs/dbraw/zinc/20/65/22/912206522.db2.gz SNFLPHYIFDAWJK-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)OCC)CC2)C1 ZINC001328115334 914978879 /nfs/dbraw/zinc/97/88/79/914978879.db2.gz XEYVWYNENBUBEJ-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001417970264 921740358 /nfs/dbraw/zinc/74/03/58/921740358.db2.gz PQDFPBIYAZVHKB-KWQFWETISA-N 1 2 279.369 0.682 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001328408372 915175022 /nfs/dbraw/zinc/17/50/22/915175022.db2.gz YKNPHHLYHFDJOA-ZIAGYGMSSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001328408372 915175035 /nfs/dbraw/zinc/17/50/35/915175035.db2.gz YKNPHHLYHFDJOA-ZIAGYGMSSA-N 1 2 288.351 0.437 20 30 CCEDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001418025958 921768442 /nfs/dbraw/zinc/76/84/42/921768442.db2.gz ASRWQKTVTJKGLY-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCNC(=O)NC)C1 ZINC001400476338 915767978 /nfs/dbraw/zinc/76/79/78/915767978.db2.gz UAUCTILMZXAPCS-UHFFFAOYSA-N 1 2 288.779 0.106 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H](C)CNC(=O)C#CC(C)C ZINC001329431127 915910400 /nfs/dbraw/zinc/91/04/00/915910400.db2.gz JAJDQJWEYGZIGY-CYBMUJFWSA-N 1 2 291.399 0.894 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H](C)CNC(=O)C#CC(C)C ZINC001329431127 915910418 /nfs/dbraw/zinc/91/04/18/915910418.db2.gz JAJDQJWEYGZIGY-CYBMUJFWSA-N 1 2 291.399 0.894 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001329925502 916284049 /nfs/dbraw/zinc/28/40/49/916284049.db2.gz SKSMXYVQRPFHGE-ZWNOBZJWSA-N 1 2 262.313 0.465 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001329925502 916284071 /nfs/dbraw/zinc/28/40/71/916284071.db2.gz SKSMXYVQRPFHGE-ZWNOBZJWSA-N 1 2 262.313 0.465 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)C(C)(C)C1 ZINC001330220235 916486358 /nfs/dbraw/zinc/48/63/58/916486358.db2.gz GMHMUAKBACSTCP-VXGBXAGGSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)C(C)(C)C1 ZINC001330220235 916486367 /nfs/dbraw/zinc/48/63/67/916486367.db2.gz GMHMUAKBACSTCP-VXGBXAGGSA-N 1 2 299.390 0.863 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001402156544 916841380 /nfs/dbraw/zinc/84/13/80/916841380.db2.gz OYGMQQTWLCEKSU-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001402156544 916841386 /nfs/dbraw/zinc/84/13/86/916841386.db2.gz OYGMQQTWLCEKSU-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001330945839 916985318 /nfs/dbraw/zinc/98/53/18/916985318.db2.gz GCSKWNDWKDNPHX-ZDUSSCGKSA-N 1 2 290.367 0.814 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001402500333 917059996 /nfs/dbraw/zinc/05/99/96/917059996.db2.gz SEARZCABZUSKNL-OPRDCNLKSA-N 1 2 277.328 0.528 20 30 CCEDLO CN(C(=O)CCc1c[nH+]cn1C)[C@H](CNCC#N)C1CC1 ZINC001331355291 917282311 /nfs/dbraw/zinc/28/23/11/917282311.db2.gz NQAYJTFJGOSSKE-CQSZACIVSA-N 1 2 289.383 0.703 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001403533224 917783267 /nfs/dbraw/zinc/78/32/67/917783267.db2.gz HFGQHJMERGTBAV-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001403533224 917783279 /nfs/dbraw/zinc/78/32/79/917783279.db2.gz HFGQHJMERGTBAV-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C#CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC001332638359 918336211 /nfs/dbraw/zinc/33/62/11/918336211.db2.gz IJLMKJFCPMINCT-UHFFFAOYSA-N 1 2 290.367 0.650 20 30 CCEDLO C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001405095061 918595941 /nfs/dbraw/zinc/59/59/41/918595941.db2.gz CJKLDKJWZMWYDZ-NWDGAFQWSA-N 1 2 291.355 0.396 20 30 CCEDLO C=CCn1nnnc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001333672712 919088088 /nfs/dbraw/zinc/08/80/88/919088088.db2.gz GYKWKJWNRFPAIW-NEPJUHHUSA-N 1 2 278.360 0.159 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001333742469 919131193 /nfs/dbraw/zinc/13/11/93/919131193.db2.gz WWPIGWNLFIWYFX-JHJVBQTASA-N 1 2 285.388 0.596 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001333742469 919131204 /nfs/dbraw/zinc/13/12/04/919131204.db2.gz WWPIGWNLFIWYFX-JHJVBQTASA-N 1 2 285.388 0.596 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1csnn1)C1CC1 ZINC001406744347 919451327 /nfs/dbraw/zinc/45/13/27/919451327.db2.gz BBPGCRURLXIUNA-LDYMZIIASA-N 1 2 279.369 0.682 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ncoc2C)C1 ZINC001407361803 919719403 /nfs/dbraw/zinc/71/94/03/919719403.db2.gz VZMPTFRBVIDGDO-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncoc2C)C1 ZINC001407361803 919719414 /nfs/dbraw/zinc/71/94/14/919719414.db2.gz VZMPTFRBVIDGDO-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO Cc1[nH]c(CNC(=O)C2(C#N)CCOCC2)[nH+]c1C ZINC001334763927 919750600 /nfs/dbraw/zinc/75/06/00/919750600.db2.gz OKUXRLXTPPZKKQ-UHFFFAOYSA-N 1 2 262.313 0.963 20 30 CCEDLO C[C@H](CCCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001336321713 920718309 /nfs/dbraw/zinc/71/83/09/920718309.db2.gz YLNIZGCHCFHORW-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001336776370 921000080 /nfs/dbraw/zinc/00/00/80/921000080.db2.gz SEZJVPPFKNMQQS-UHFFFAOYSA-N 1 2 252.274 0.410 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001336776370 921000082 /nfs/dbraw/zinc/00/00/82/921000082.db2.gz SEZJVPPFKNMQQS-UHFFFAOYSA-N 1 2 252.274 0.410 20 30 CCEDLO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1ccccc1C#N ZINC001418294838 922003317 /nfs/dbraw/zinc/00/33/17/922003317.db2.gz OLCFCBJQJVZTLR-JTQLQIEISA-N 1 2 284.323 0.584 20 30 CCEDLO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1ccccc1C#N ZINC001418294838 922003333 /nfs/dbraw/zinc/00/33/33/922003333.db2.gz OLCFCBJQJVZTLR-JTQLQIEISA-N 1 2 284.323 0.584 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001340702432 922174683 /nfs/dbraw/zinc/17/46/83/922174683.db2.gz RGKKOYDXTZMBED-SWLSCSKDSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001340702432 922174692 /nfs/dbraw/zinc/17/46/92/922174692.db2.gz RGKKOYDXTZMBED-SWLSCSKDSA-N 1 2 289.383 0.445 20 30 CCEDLO COc1nccc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001419952507 923184215 /nfs/dbraw/zinc/18/42/15/923184215.db2.gz HXNWIYHOTUDQSV-LLVKDONJSA-N 1 2 291.355 0.535 20 30 CCEDLO COc1nccc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001419952507 923184228 /nfs/dbraw/zinc/18/42/28/923184228.db2.gz HXNWIYHOTUDQSV-LLVKDONJSA-N 1 2 291.355 0.535 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C3CC3)n2CC)CC1 ZINC001343622953 923393454 /nfs/dbraw/zinc/39/34/54/923393454.db2.gz KVZHNHSMHCGDSI-ZDUSSCGKSA-N 1 2 289.383 0.497 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC001344464244 923610021 /nfs/dbraw/zinc/61/00/21/923610021.db2.gz IMITZKJGHGFXFT-WDEREUQCSA-N 1 2 281.312 0.305 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421086037 924143059 /nfs/dbraw/zinc/14/30/59/924143059.db2.gz YZYQMGGSYCORDT-JTQLQIEISA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421086037 924143074 /nfs/dbraw/zinc/14/30/74/924143074.db2.gz YZYQMGGSYCORDT-JTQLQIEISA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC001421285716 924253518 /nfs/dbraw/zinc/25/35/18/924253518.db2.gz YAYSIECAICUSJJ-BXUZGUMPSA-N 1 2 291.355 0.948 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC001421285716 924253525 /nfs/dbraw/zinc/25/35/25/924253525.db2.gz YAYSIECAICUSJJ-BXUZGUMPSA-N 1 2 291.355 0.948 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346604780 924276636 /nfs/dbraw/zinc/27/66/36/924276636.db2.gz BSYNMTDPAMGWIJ-STQMWFEESA-N 1 2 268.405 0.838 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346604780 924276643 /nfs/dbraw/zinc/27/66/43/924276643.db2.gz BSYNMTDPAMGWIJ-STQMWFEESA-N 1 2 268.405 0.838 20 30 CCEDLO C[C@H](CNC(=O)NC[C@H](C)C#N)[NH+]1CCN(C)CC1 ZINC001347553226 924478174 /nfs/dbraw/zinc/47/81/74/924478174.db2.gz FFFKQWASEDTTJI-VXGBXAGGSA-N 1 2 267.377 0.081 20 30 CCEDLO C[C@H](C#N)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001347553221 924478322 /nfs/dbraw/zinc/47/83/22/924478322.db2.gz FFFKQWASEDTTJI-NEPJUHHUSA-N 1 2 267.377 0.081 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001347968487 924567985 /nfs/dbraw/zinc/56/79/85/924567985.db2.gz WXSAMAANDMJTER-UHFFFAOYSA-N 1 2 278.356 0.766 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cc[nH+]c(NC)c1 ZINC001348265229 924632025 /nfs/dbraw/zinc/63/20/25/924632025.db2.gz UXMLYTGSHVUBFP-SNVBAGLBSA-N 1 2 250.302 0.469 20 30 CCEDLO C#CC[NH+]1CCC(OC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001349770128 925051477 /nfs/dbraw/zinc/05/14/77/925051477.db2.gz DMYYRUWFXOBSAK-ZDUSSCGKSA-N 1 2 299.392 0.595 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001351289605 925396235 /nfs/dbraw/zinc/39/62/35/925396235.db2.gz XNUNCRAWHQXSLT-SECBINFHSA-N 1 2 250.327 0.571 20 30 CCEDLO CCCC(=O)NCCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001352641035 925611608 /nfs/dbraw/zinc/61/16/08/925611608.db2.gz MSFDMJDCZKIJDR-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO CN(C)C(=O)OCC[NH+]1CCN(CCC#N)CC1 ZINC001352898024 925667167 /nfs/dbraw/zinc/66/71/67/925667167.db2.gz GOSNYYLRNIJAQB-UHFFFAOYSA-N 1 2 254.334 0.216 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001480435543 925705214 /nfs/dbraw/zinc/70/52/14/925705214.db2.gz HGWQHCUBGVZYMR-VIFPVBQESA-N 1 2 270.358 0.335 20 30 CCEDLO N#CCNC1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100281426 925791645 /nfs/dbraw/zinc/79/16/45/925791645.db2.gz XTBVIILOILIRGD-UHFFFAOYSA-N 1 2 261.329 0.350 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001356271093 926363133 /nfs/dbraw/zinc/36/31/33/926363133.db2.gz VEKPIHWACWIRKA-IUODEOHRSA-N 1 2 291.399 0.669 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001356271093 926363146 /nfs/dbraw/zinc/36/31/46/926363146.db2.gz VEKPIHWACWIRKA-IUODEOHRSA-N 1 2 291.399 0.669 20 30 CCEDLO N#CCC[C@H](C#N)CNC1CC([NH+]2CCOCC2)C1 ZINC001356619801 926411042 /nfs/dbraw/zinc/41/10/42/926411042.db2.gz UPDBXOYXGTVYKK-IYXRBSQSSA-N 1 2 262.357 0.883 20 30 CCEDLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001422476404 927303612 /nfs/dbraw/zinc/30/36/12/927303612.db2.gz DEWKJRBRAXOKOV-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001422551512 927364740 /nfs/dbraw/zinc/36/47/40/927364740.db2.gz LXJYIPNFZACPFB-MNOVXSKESA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001422551512 927364754 /nfs/dbraw/zinc/36/47/54/927364754.db2.gz LXJYIPNFZACPFB-MNOVXSKESA-N 1 2 287.791 0.796 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001422989239 927617461 /nfs/dbraw/zinc/61/74/61/927617461.db2.gz QEAHRXFMWCIXDU-GZMMTYOYSA-N 1 2 277.328 0.522 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC001362119261 927633358 /nfs/dbraw/zinc/63/33/58/927633358.db2.gz OEJPSJZPDFYIPV-UHFFFAOYSA-N 1 2 276.340 0.301 20 30 CCEDLO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1)c1ncccn1 ZINC001423201500 927736819 /nfs/dbraw/zinc/73/68/19/927736819.db2.gz SMSCBWBMEOMGDS-WDEREUQCSA-N 1 2 273.340 0.936 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)N(C)C(=O)[C@@H](C)C#N ZINC001424176409 928118567 /nfs/dbraw/zinc/11/85/67/928118567.db2.gz SJTJVJOAGOYKSW-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)N(C)C(=O)[C@@H](C)C#N ZINC001424176409 928118573 /nfs/dbraw/zinc/11/85/73/928118573.db2.gz SJTJVJOAGOYKSW-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362547053 928162023 /nfs/dbraw/zinc/16/20/23/928162023.db2.gz ZRYZCSVYCLNWLP-CMPLNLGQSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001428944784 929347390 /nfs/dbraw/zinc/34/73/90/929347390.db2.gz RPJHNRJCZHKKGR-GMTAPVOTSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001429248589 929423245 /nfs/dbraw/zinc/42/32/45/929423245.db2.gz ZMVSUVYXJUABRC-AXFHLTTASA-N 1 2 289.339 0.217 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001445370026 930118895 /nfs/dbraw/zinc/11/88/95/930118895.db2.gz DRYZVTVVWJTSLP-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO C[C@@H](O)CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001447372448 930618784 /nfs/dbraw/zinc/61/87/84/930618784.db2.gz BLVYQISRZSREBV-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO CCc1nc(C[NH2+]CC2CC(NC(=O)[C@@H](C)C#N)C2)no1 ZINC001447787723 930713882 /nfs/dbraw/zinc/71/38/82/930713882.db2.gz MVQNIMAPXHDKBS-WHXUTIOJSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cnco2)C1 ZINC001376053201 931036394 /nfs/dbraw/zinc/03/63/94/931036394.db2.gz PWRIWHGOYKGIHR-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnco2)C1 ZINC001376053201 931036400 /nfs/dbraw/zinc/03/64/00/931036400.db2.gz PWRIWHGOYKGIHR-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376376012 931137323 /nfs/dbraw/zinc/13/73/23/931137323.db2.gz PPVBJBNDRQGMKD-JTQLQIEISA-N 1 2 277.328 0.029 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cnon1 ZINC001376710667 931238032 /nfs/dbraw/zinc/23/80/32/931238032.db2.gz JPKOABSRAPDIML-QMMMGPOBSA-N 1 2 274.284 0.177 20 30 CCEDLO COC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694841 361791125 /nfs/dbraw/zinc/79/11/25/361791125.db2.gz WMNGYTHWLNIBJP-TZMCWYRMSA-N 1 2 283.372 0.484 20 30 CCEDLO COC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694841 361791128 /nfs/dbraw/zinc/79/11/28/361791128.db2.gz WMNGYTHWLNIBJP-TZMCWYRMSA-N 1 2 283.372 0.484 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000294965967 199274359 /nfs/dbraw/zinc/27/43/59/199274359.db2.gz NMOLKJUSZMXBRK-NSHDSACASA-N 1 2 257.293 0.989 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000094267784 349563739 /nfs/dbraw/zinc/56/37/39/349563739.db2.gz BPODRUAPMABTFN-NSHDSACASA-N 1 2 295.364 0.641 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](CO)C1 ZINC000094267784 349563743 /nfs/dbraw/zinc/56/37/43/349563743.db2.gz BPODRUAPMABTFN-NSHDSACASA-N 1 2 295.364 0.641 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000600420190 361955597 /nfs/dbraw/zinc/95/55/97/361955597.db2.gz JWNXZDWMMGXNKP-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000600420190 361955601 /nfs/dbraw/zinc/95/56/01/361955601.db2.gz JWNXZDWMMGXNKP-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000354809070 529487992 /nfs/dbraw/zinc/48/79/92/529487992.db2.gz AYKARLISYOKUHD-AAEUAGOBSA-N 1 2 253.346 0.451 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000354809070 529487993 /nfs/dbraw/zinc/48/79/93/529487993.db2.gz AYKARLISYOKUHD-AAEUAGOBSA-N 1 2 253.346 0.451 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617719511 365725173 /nfs/dbraw/zinc/72/51/73/365725173.db2.gz OASCRRHEIVMAMK-LOWVWBTDSA-N 1 2 256.346 0.149 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617719511 365725180 /nfs/dbraw/zinc/72/51/80/365725180.db2.gz OASCRRHEIVMAMK-LOWVWBTDSA-N 1 2 256.346 0.149 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601107877 362150585 /nfs/dbraw/zinc/15/05/85/362150585.db2.gz CGUSTDMUPWRAEO-GFCCVEGCSA-N 1 2 273.340 0.390 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601107877 362150591 /nfs/dbraw/zinc/15/05/91/362150591.db2.gz CGUSTDMUPWRAEO-GFCCVEGCSA-N 1 2 273.340 0.390 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001017411311 649848071 /nfs/dbraw/zinc/84/80/71/649848071.db2.gz JFEZLBNWQXZPGR-QNWHQSFQSA-N 1 2 276.336 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001017411311 649848072 /nfs/dbraw/zinc/84/80/72/649848072.db2.gz JFEZLBNWQXZPGR-QNWHQSFQSA-N 1 2 276.336 0.104 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333057496 529789889 /nfs/dbraw/zinc/78/98/89/529789889.db2.gz AQFKGVIQIVEPTA-IUODEOHRSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333057496 529789890 /nfs/dbraw/zinc/78/98/90/529789890.db2.gz AQFKGVIQIVEPTA-IUODEOHRSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3nncs3)C[C@H]21 ZINC000330361679 529790774 /nfs/dbraw/zinc/79/07/74/529790774.db2.gz YQWBSFOEVSDPLI-BDAKNGLRSA-N 1 2 283.357 0.141 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3nncs3)C[C@H]21 ZINC000330361679 529790776 /nfs/dbraw/zinc/79/07/76/529790776.db2.gz YQWBSFOEVSDPLI-BDAKNGLRSA-N 1 2 283.357 0.141 20 30 CCEDLO N#CCc1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000601376041 362248783 /nfs/dbraw/zinc/24/87/83/362248783.db2.gz XRZCONAFZJZOKE-UHFFFAOYSA-N 1 2 279.365 0.737 20 30 CCEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000601429795 362269268 /nfs/dbraw/zinc/26/92/68/362269268.db2.gz RHKNNAHCQDGVNR-JTQLQIEISA-N 1 2 285.373 0.644 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[N@@H+]1CCO ZINC000601472098 362284605 /nfs/dbraw/zinc/28/46/05/362284605.db2.gz OFVTUBDSCSVEJS-GFCCVEGCSA-N 1 2 277.368 0.595 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[N@H+]1CCO ZINC000601472098 362284609 /nfs/dbraw/zinc/28/46/09/362284609.db2.gz OFVTUBDSCSVEJS-GFCCVEGCSA-N 1 2 277.368 0.595 20 30 CCEDLO COCCOC1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601957853 362437879 /nfs/dbraw/zinc/43/78/79/362437879.db2.gz KHAMVPDUMMRSAZ-NSHDSACASA-N 1 2 254.330 0.388 20 30 CCEDLO COCCOC1C[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000601960961 362439230 /nfs/dbraw/zinc/43/92/30/362439230.db2.gz YGLFPHYFCZEROO-ZDUSSCGKSA-N 1 2 298.383 0.405 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)n1 ZINC000602434733 362614854 /nfs/dbraw/zinc/61/48/54/362614854.db2.gz OYLXZKZQVZUPDD-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)n1 ZINC000602434733 362614857 /nfs/dbraw/zinc/61/48/57/362614857.db2.gz OYLXZKZQVZUPDD-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)n1C ZINC000602456452 362626108 /nfs/dbraw/zinc/62/61/08/362626108.db2.gz XMONYSXUKJEANB-UHFFFAOYSA-N 1 2 276.340 0.453 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)no2)C1=O ZINC000602647121 362730033 /nfs/dbraw/zinc/73/00/33/362730033.db2.gz GOOBWSXJDDGBJR-GFCCVEGCSA-N 1 2 293.323 0.680 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)no2)C1=O ZINC000602647121 362730037 /nfs/dbraw/zinc/73/00/37/362730037.db2.gz GOOBWSXJDDGBJR-GFCCVEGCSA-N 1 2 293.323 0.680 20 30 CCEDLO CCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848200 362836250 /nfs/dbraw/zinc/83/62/50/362836250.db2.gz FLALTDNMCPDSEA-TXEJJXNPSA-N 1 2 252.362 0.431 20 30 CCEDLO CCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848200 362836252 /nfs/dbraw/zinc/83/62/52/362836252.db2.gz FLALTDNMCPDSEA-TXEJJXNPSA-N 1 2 252.362 0.431 20 30 CCEDLO C[C@@H]1C[NH+](Cc2cnns2)C[C@@H](C)N1CC#N ZINC000602849527 362837309 /nfs/dbraw/zinc/83/73/09/362837309.db2.gz LYNRTPLGRVXTIO-NXEZZACHSA-N 1 2 251.359 0.956 20 30 CCEDLO C[C@H](c1nccc(N)n1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602847716 362834502 /nfs/dbraw/zinc/83/45/02/362834502.db2.gz CHTMICHESPFOJU-IJLUTSLNSA-N 1 2 274.372 0.868 20 30 CCEDLO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602863241 362847165 /nfs/dbraw/zinc/84/71/65/362847165.db2.gz MBGUMRWFIXWGOB-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602861999 362847842 /nfs/dbraw/zinc/84/78/42/362847842.db2.gz KEMHROSBNWCUNJ-ZYHUDNBSSA-N 1 2 266.345 0.005 20 30 CCEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000602864786 362849606 /nfs/dbraw/zinc/84/96/06/362849606.db2.gz JOKHUCBUXBHGRM-NWDGAFQWSA-N 1 2 260.345 0.615 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000312119635 137076470 /nfs/dbraw/zinc/07/64/70/137076470.db2.gz UEEQOHODJQBPAB-UHFFFAOYSA-N 1 2 277.309 0.128 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@H](C)[NH+]1CCOCC1 ZINC000339983613 137083665 /nfs/dbraw/zinc/08/36/65/137083665.db2.gz DJFXKHJZZAYNHA-QWRGUYRKSA-N 1 2 277.324 0.990 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)o1 ZINC000343930995 137167862 /nfs/dbraw/zinc/16/78/62/137167862.db2.gz KESYLXACVCRQCO-SNVBAGLBSA-N 1 2 288.263 0.388 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)o1 ZINC000343930995 137167863 /nfs/dbraw/zinc/16/78/63/137167863.db2.gz KESYLXACVCRQCO-SNVBAGLBSA-N 1 2 288.263 0.388 20 30 CCEDLO C=CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1cccs1 ZINC000011467841 348017438 /nfs/dbraw/zinc/01/74/38/348017438.db2.gz QEJVEAKZUHHPDI-UHFFFAOYSA-N 1 2 293.392 0.695 20 30 CCEDLO C=CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1cccs1 ZINC000011467841 348017441 /nfs/dbraw/zinc/01/74/41/348017441.db2.gz QEJVEAKZUHHPDI-UHFFFAOYSA-N 1 2 293.392 0.695 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)o1 ZINC000344720961 137209385 /nfs/dbraw/zinc/20/93/85/137209385.db2.gz HXHPMHYWEYPGEY-UHFFFAOYSA-N 1 2 255.299 0.135 20 30 CCEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000411271338 232861400 /nfs/dbraw/zinc/86/14/00/232861400.db2.gz GVNSUOXDEONXDE-JKSUJKDBSA-N 1 2 299.374 0.798 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000344942983 137223140 /nfs/dbraw/zinc/22/31/40/137223140.db2.gz WTPAMAWBKJYQES-LBPRGKRZSA-N 1 2 298.350 0.709 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000344942983 137223141 /nfs/dbraw/zinc/22/31/41/137223141.db2.gz WTPAMAWBKJYQES-LBPRGKRZSA-N 1 2 298.350 0.709 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000344981420 137225759 /nfs/dbraw/zinc/22/57/59/137225759.db2.gz JSOXQOHARUURGF-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000344985225 137226232 /nfs/dbraw/zinc/22/62/32/137226232.db2.gz YPAAUFOMQKEMMG-LLVKDONJSA-N 1 2 287.279 0.124 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000344985225 137226233 /nfs/dbraw/zinc/22/62/33/137226233.db2.gz YPAAUFOMQKEMMG-LLVKDONJSA-N 1 2 287.279 0.124 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975113 362918721 /nfs/dbraw/zinc/91/87/21/362918721.db2.gz YMQUAXJIAXMOIJ-TUAOUCFPSA-N 1 2 296.371 0.471 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975113 362918726 /nfs/dbraw/zinc/91/87/26/362918726.db2.gz YMQUAXJIAXMOIJ-TUAOUCFPSA-N 1 2 296.371 0.471 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347306648 137330479 /nfs/dbraw/zinc/33/04/79/137330479.db2.gz MPSFQPUPIIXDON-QWRGUYRKSA-N 1 2 295.364 0.376 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000347432248 137336243 /nfs/dbraw/zinc/33/62/43/137336243.db2.gz TUXAZBSLUPTCOD-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@@H+]1CCO ZINC000347531753 137341723 /nfs/dbraw/zinc/34/17/23/137341723.db2.gz VZZXGKLDUPOXRP-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@H+]1CCO ZINC000347531753 137341724 /nfs/dbraw/zinc/34/17/24/137341724.db2.gz VZZXGKLDUPOXRP-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000347624722 137346616 /nfs/dbraw/zinc/34/66/16/137346616.db2.gz HOQTYJYLLCTGCK-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000347624722 137346617 /nfs/dbraw/zinc/34/66/17/137346617.db2.gz HOQTYJYLLCTGCK-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000051791363 348494517 /nfs/dbraw/zinc/49/45/17/348494517.db2.gz JMXDGHOOAAQYNF-AWEZNQCLSA-N 1 2 282.388 0.451 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000051791363 348494520 /nfs/dbraw/zinc/49/45/20/348494520.db2.gz JMXDGHOOAAQYNF-AWEZNQCLSA-N 1 2 282.388 0.451 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346632 348553753 /nfs/dbraw/zinc/55/37/53/348553753.db2.gz PWGOGHBBPQZKSP-QWRGUYRKSA-N 1 2 267.329 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346632 348553755 /nfs/dbraw/zinc/55/37/55/348553755.db2.gz PWGOGHBBPQZKSP-QWRGUYRKSA-N 1 2 267.329 0.252 20 30 CCEDLO COc1ccc(C[N@H+](C)CC(=O)NCC#N)c(OC)c1 ZINC000066472516 348743960 /nfs/dbraw/zinc/74/39/60/348743960.db2.gz SHTWNQBYOOJXHG-UHFFFAOYSA-N 1 2 277.324 0.775 20 30 CCEDLO COc1ccc(C[N@@H+](C)CC(=O)NCC#N)c(OC)c1 ZINC000066472516 348743961 /nfs/dbraw/zinc/74/39/61/348743961.db2.gz SHTWNQBYOOJXHG-UHFFFAOYSA-N 1 2 277.324 0.775 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000070253593 348881634 /nfs/dbraw/zinc/88/16/34/348881634.db2.gz XBSJWBLEEGAENK-UHFFFAOYSA-N 1 2 279.365 0.635 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000078601108 349145709 /nfs/dbraw/zinc/14/57/09/349145709.db2.gz VGZBMJGJWDNVEF-UHFFFAOYSA-N 1 2 272.352 0.816 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000081344035 349259761 /nfs/dbraw/zinc/25/97/61/349259761.db2.gz RVZHLPVJZMNGEY-GFCCVEGCSA-N 1 2 263.272 0.966 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000081344035 349259763 /nfs/dbraw/zinc/25/97/63/349259763.db2.gz RVZHLPVJZMNGEY-GFCCVEGCSA-N 1 2 263.272 0.966 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC2CCOCC2)CC1 ZINC000131204601 350267060 /nfs/dbraw/zinc/26/70/60/350267060.db2.gz XZTKWCJWABMPBP-UHFFFAOYSA-N 1 2 282.409 0.676 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000133888539 350347171 /nfs/dbraw/zinc/34/71/71/350347171.db2.gz METSKIIWTUQFBB-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000133888539 350347174 /nfs/dbraw/zinc/34/71/74/350347174.db2.gz METSKIIWTUQFBB-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(C#N)c1C ZINC000603085720 362955329 /nfs/dbraw/zinc/95/53/29/362955329.db2.gz BHSQKSJPROFTTN-HZMBPMFUSA-N 1 2 275.308 0.773 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(C#N)c1C ZINC000603085720 362955333 /nfs/dbraw/zinc/95/53/33/362955333.db2.gz BHSQKSJPROFTTN-HZMBPMFUSA-N 1 2 275.308 0.773 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)c(F)c1 ZINC000151020410 350489291 /nfs/dbraw/zinc/48/92/91/350489291.db2.gz XSFWSAOGASIOJL-UHFFFAOYSA-N 1 2 294.311 0.872 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H](C)N1CC#N ZINC000603097870 362961996 /nfs/dbraw/zinc/96/19/96/362961996.db2.gz MJCAEDZLPUJSDK-VXGBXAGGSA-N 1 2 275.356 0.787 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000160477951 350702400 /nfs/dbraw/zinc/70/24/00/350702400.db2.gz ROJDRXLDYVXCIF-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603160105 362977972 /nfs/dbraw/zinc/97/79/72/362977972.db2.gz GIAGHPOCCMARHC-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603160105 362977976 /nfs/dbraw/zinc/97/79/76/362977976.db2.gz GIAGHPOCCMARHC-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)CCC#N)nn1 ZINC000603188052 362989715 /nfs/dbraw/zinc/98/97/15/362989715.db2.gz GGVZBUFXRFIRMO-LBPRGKRZSA-N 1 2 288.355 0.324 20 30 CCEDLO COc1ccc(C#N)cc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603235405 363015658 /nfs/dbraw/zinc/01/56/58/363015658.db2.gz QJWZIYVGTDDGFB-AWEZNQCLSA-N 1 2 299.334 0.868 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000180246822 351282202 /nfs/dbraw/zinc/28/22/02/351282202.db2.gz RUNKLOUKKYYQOW-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000180246822 351282207 /nfs/dbraw/zinc/28/22/07/351282207.db2.gz RUNKLOUKKYYQOW-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000180246841 351282459 /nfs/dbraw/zinc/28/24/59/351282459.db2.gz RUNKLOUKKYYQOW-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000180246841 351282462 /nfs/dbraw/zinc/28/24/62/351282462.db2.gz RUNKLOUKKYYQOW-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336069 352112678 /nfs/dbraw/zinc/11/26/78/352112678.db2.gz NBJHPMOBNFOZGT-VIFPVBQESA-N 1 2 285.394 0.992 20 30 CCEDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336069 352112679 /nfs/dbraw/zinc/11/26/79/352112679.db2.gz NBJHPMOBNFOZGT-VIFPVBQESA-N 1 2 285.394 0.992 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603625314 363151212 /nfs/dbraw/zinc/15/12/12/363151212.db2.gz KZRIMRYHCNJPED-LBPRGKRZSA-N 1 2 283.397 0.566 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C#N)c1C ZINC000245655800 352332829 /nfs/dbraw/zinc/33/28/29/352332829.db2.gz DLCHTAZXGLJTCR-WDEREUQCSA-N 1 2 293.323 0.134 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C#N)c1C ZINC000245655800 352332831 /nfs/dbraw/zinc/33/28/31/352332831.db2.gz DLCHTAZXGLJTCR-WDEREUQCSA-N 1 2 293.323 0.134 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C ZINC000252705812 352523541 /nfs/dbraw/zinc/52/35/41/352523541.db2.gz RLHNNBYJIURIFB-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C ZINC000252705812 352523544 /nfs/dbraw/zinc/52/35/44/352523544.db2.gz RLHNNBYJIURIFB-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269641151 352858194 /nfs/dbraw/zinc/85/81/94/352858194.db2.gz WGFWFYYLSJXTAZ-CQSZACIVSA-N 1 2 285.347 0.994 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269641151 352858197 /nfs/dbraw/zinc/85/81/97/352858197.db2.gz WGFWFYYLSJXTAZ-CQSZACIVSA-N 1 2 285.347 0.994 20 30 CCEDLO Cn1ncc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292290939 198232799 /nfs/dbraw/zinc/23/27/99/198232799.db2.gz UFTOAROJVLVQRF-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1ncc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292290939 198232801 /nfs/dbraw/zinc/23/28/01/198232801.db2.gz UFTOAROJVLVQRF-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC000274619985 353146704 /nfs/dbraw/zinc/14/67/04/353146704.db2.gz UAJBHNYSZDBXFX-UHFFFAOYSA-N 1 2 276.340 0.210 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+](CCO)CCO ZINC000153704722 188098915 /nfs/dbraw/zinc/09/89/15/188098915.db2.gz LRRIIPTZUBQDLZ-UHFFFAOYSA-N 1 2 297.742 0.437 20 30 CCEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292325955 198245046 /nfs/dbraw/zinc/24/50/46/198245046.db2.gz WBGNVSJSYMPRQM-CMPLNLGQSA-N 1 2 299.338 0.691 20 30 CCEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292325955 198245047 /nfs/dbraw/zinc/24/50/47/198245047.db2.gz WBGNVSJSYMPRQM-CMPLNLGQSA-N 1 2 299.338 0.691 20 30 CCEDLO N#Cc1cnc(NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000277532488 353248998 /nfs/dbraw/zinc/24/89/98/353248998.db2.gz VZPZQDMBFWZNOY-UHFFFAOYSA-N 1 2 259.313 0.625 20 30 CCEDLO C=CCCOCCNC(=O)NCCn1cc[nH+]c1 ZINC000155447591 188206564 /nfs/dbraw/zinc/20/65/64/188206564.db2.gz VZGHVJRDBPGYHW-UHFFFAOYSA-N 1 2 252.318 0.775 20 30 CCEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCNC1=O ZINC000282439051 353424370 /nfs/dbraw/zinc/42/43/70/353424370.db2.gz RTVZAWFVTLXILW-SNVBAGLBSA-N 1 2 292.364 0.769 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCNC1=O ZINC000282439051 353424373 /nfs/dbraw/zinc/42/43/73/353424373.db2.gz RTVZAWFVTLXILW-SNVBAGLBSA-N 1 2 292.364 0.769 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282246704 353407354 /nfs/dbraw/zinc/40/73/54/353407354.db2.gz JHSXDEQTYJQCLL-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282246704 353407361 /nfs/dbraw/zinc/40/73/61/353407361.db2.gz JHSXDEQTYJQCLL-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@H]21 ZINC000332223661 283011016 /nfs/dbraw/zinc/01/10/16/283011016.db2.gz KBLSQEMIKDGINP-ZIAGYGMSSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@H]21 ZINC000332223661 283011023 /nfs/dbraw/zinc/01/10/23/283011023.db2.gz KBLSQEMIKDGINP-ZIAGYGMSSA-N 1 2 289.310 0.852 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334460383 354870418 /nfs/dbraw/zinc/87/04/18/354870418.db2.gz NBGOULNHOTWJRJ-VIFPVBQESA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334460383 354870422 /nfs/dbraw/zinc/87/04/22/354870422.db2.gz NBGOULNHOTWJRJ-VIFPVBQESA-N 1 2 255.281 0.897 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](COC)C2)C1=O ZINC000337176573 355278466 /nfs/dbraw/zinc/27/84/66/355278466.db2.gz JLLFQLZIZGDQOP-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](COC)C2)C1=O ZINC000337176573 355278470 /nfs/dbraw/zinc/27/84/70/355278470.db2.gz JLLFQLZIZGDQOP-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000337213719 355284609 /nfs/dbraw/zinc/28/46/09/355284609.db2.gz WORWUWHYRDMIQO-GXTWGEPZSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000337213719 355284614 /nfs/dbraw/zinc/28/46/14/355284614.db2.gz WORWUWHYRDMIQO-GXTWGEPZSA-N 1 2 266.341 0.265 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]4C(=O)NC[C@@H]43)n2c1 ZINC000342848250 355758677 /nfs/dbraw/zinc/75/86/77/355758677.db2.gz AGXGZGNWWMIHFI-KGLIPLIRSA-N 1 2 295.346 0.916 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]4C(=O)NC[C@@H]43)n2c1 ZINC000342848250 355758680 /nfs/dbraw/zinc/75/86/80/355758680.db2.gz AGXGZGNWWMIHFI-KGLIPLIRSA-N 1 2 295.346 0.916 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000343366969 355768809 /nfs/dbraw/zinc/76/88/09/355768809.db2.gz TXDHOWOCGAAMAW-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000378317192 283130257 /nfs/dbraw/zinc/13/02/57/283130257.db2.gz YWUOGIZOOOQVFG-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000378317192 283130262 /nfs/dbraw/zinc/13/02/62/283130262.db2.gz YWUOGIZOOOQVFG-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000354016060 356330977 /nfs/dbraw/zinc/33/09/77/356330977.db2.gz WIADKEKMGONARI-UHFFFAOYSA-N 1 2 297.318 0.636 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCN4C(=O)N=NC4C3)n2c1 ZINC000362087988 138045951 /nfs/dbraw/zinc/04/59/51/138045951.db2.gz DGULMAKQWAWAFN-UHFFFAOYSA-N 1 2 295.306 0.519 20 30 CCEDLO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC000362914276 138080436 /nfs/dbraw/zinc/08/04/36/138080436.db2.gz WKPIHBRWFWGTEP-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC000362914276 138080437 /nfs/dbraw/zinc/08/04/37/138080437.db2.gz WKPIHBRWFWGTEP-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnccc1C#N ZINC000362958457 138082403 /nfs/dbraw/zinc/08/24/03/138082403.db2.gz POOWYHGTISWELJ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnccc1C#N ZINC000362958457 138082404 /nfs/dbraw/zinc/08/24/04/138082404.db2.gz POOWYHGTISWELJ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)n1cnc(C#N)n1 ZINC000619612263 366298935 /nfs/dbraw/zinc/29/89/35/366298935.db2.gz UXBQZPQLOPRREO-NEPJUHHUSA-N 1 2 299.338 0.771 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000609283043 363486717 /nfs/dbraw/zinc/48/67/17/363486717.db2.gz OPTYGEGIBMRTTP-LBPRGKRZSA-N 1 2 277.328 0.597 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486419 363498772 /nfs/dbraw/zinc/49/87/72/363498772.db2.gz KEGCGDXYSYJTCG-KGLIPLIRSA-N 1 2 278.400 0.843 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485418 363498884 /nfs/dbraw/zinc/49/88/84/363498884.db2.gz PURGTHCIZKVIMJ-NEPJUHHUSA-N 1 2 252.362 0.416 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485420 363498964 /nfs/dbraw/zinc/49/89/64/363498964.db2.gz PURGTHCIZKVIMJ-RYUDHWBXSA-N 1 2 252.362 0.416 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000609579099 363506874 /nfs/dbraw/zinc/50/68/74/363506874.db2.gz JHIMADGMTHRROG-UHFFFAOYSA-N 1 2 268.361 0.159 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000609579099 363506882 /nfs/dbraw/zinc/50/68/82/363506882.db2.gz JHIMADGMTHRROG-UHFFFAOYSA-N 1 2 268.361 0.159 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)C(=O)OC ZINC000619703153 366327859 /nfs/dbraw/zinc/32/78/59/366327859.db2.gz GNKICJHOEVEZPQ-MDZLAQPJSA-N 1 2 255.314 0.642 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000619715721 366332807 /nfs/dbraw/zinc/33/28/07/366332807.db2.gz CRGKHXNTXHSKQL-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000619715721 366332812 /nfs/dbraw/zinc/33/28/12/366332812.db2.gz CRGKHXNTXHSKQL-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO Cn1ncc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000356380015 356756909 /nfs/dbraw/zinc/75/69/09/356756909.db2.gz BNFFJEYZQRXTFL-LBPRGKRZSA-N 1 2 297.318 0.980 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000359219656 356788087 /nfs/dbraw/zinc/78/80/87/356788087.db2.gz FZIDHGPEJDFYNX-RYUDHWBXSA-N 1 2 276.340 0.506 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000361373354 357046565 /nfs/dbraw/zinc/04/65/65/357046565.db2.gz RYJCLDYVAQIKOQ-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000361373354 357046567 /nfs/dbraw/zinc/04/65/67/357046567.db2.gz RYJCLDYVAQIKOQ-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000362021283 357051778 /nfs/dbraw/zinc/05/17/78/357051778.db2.gz JVFUXXPQCFEPEP-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000362021283 357051781 /nfs/dbraw/zinc/05/17/81/357051781.db2.gz JVFUXXPQCFEPEP-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610528028 363572683 /nfs/dbraw/zinc/57/26/83/363572683.db2.gz HSFAFLQPPSNYLB-VIFPVBQESA-N 1 2 273.300 0.120 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000363920309 357070349 /nfs/dbraw/zinc/07/03/49/357070349.db2.gz LQGOLILWYDUFFV-LBPRGKRZSA-N 1 2 274.324 0.433 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCN4C(=O)OC[C@@H]4C3)n2c1 ZINC000378347239 357674448 /nfs/dbraw/zinc/67/44/48/357674448.db2.gz UMPKFAOIKXDUIY-ZDUSSCGKSA-N 1 2 297.318 0.842 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)OCC)CC1 ZINC000490778951 358290970 /nfs/dbraw/zinc/29/09/70/358290970.db2.gz PFUYALKEELWNHD-UHFFFAOYSA-N 1 2 284.381 0.060 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000491661242 358296039 /nfs/dbraw/zinc/29/60/39/358296039.db2.gz FNPZHWSDPFYFRW-ZDUSSCGKSA-N 1 2 258.321 0.671 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000491661242 358296042 /nfs/dbraw/zinc/29/60/42/358296042.db2.gz FNPZHWSDPFYFRW-ZDUSSCGKSA-N 1 2 258.321 0.671 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn2ccccc2n1 ZINC000563220140 358557194 /nfs/dbraw/zinc/55/71/94/358557194.db2.gz GFTGZHBZSZCQCB-CQSZACIVSA-N 1 2 271.324 0.908 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573515567 358974334 /nfs/dbraw/zinc/97/43/34/358974334.db2.gz KUXCSLYAHPCVDY-UHFFFAOYSA-N 1 2 289.320 0.395 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000572163815 358927986 /nfs/dbraw/zinc/92/79/86/358927986.db2.gz BLTAEJLHRHCXNR-QWHCGFSZSA-N 1 2 278.400 0.963 20 30 CCEDLO CN(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000573253875 358952894 /nfs/dbraw/zinc/95/28/94/358952894.db2.gz HWQNCULTZUTEEB-AWEZNQCLSA-N 1 2 275.356 0.721 20 30 CCEDLO CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@H](CC)CC#N)C(=O)OC ZINC000573815109 359002661 /nfs/dbraw/zinc/00/26/61/359002661.db2.gz ZCOIKRQWLPSXFD-NQBHXWOUSA-N 1 2 283.372 0.972 20 30 CCEDLO Cc1ncc(S(=O)(=O)NCC[NH+]2CCC2)cc1C#N ZINC000489691592 236818366 /nfs/dbraw/zinc/81/83/66/236818366.db2.gz OEXFAHQOSYAWSA-UHFFFAOYSA-N 1 2 280.353 0.246 20 30 CCEDLO Cc1cc(C)n(CC[NH+]2CCN(C(=O)CC#N)CC2)n1 ZINC000583329886 359152985 /nfs/dbraw/zinc/15/29/85/359152985.db2.gz FQMWSSKPBJSGQZ-UHFFFAOYSA-N 1 2 275.356 0.558 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036217 359298573 /nfs/dbraw/zinc/29/85/73/359298573.db2.gz PPLYGSDZPZFDPR-VIFPVBQESA-N 1 2 250.327 0.571 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991596 363643552 /nfs/dbraw/zinc/64/35/52/363643552.db2.gz SPRLMMZACDSIJW-UHFFFAOYSA-N 1 2 287.367 0.207 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000610999501 363646941 /nfs/dbraw/zinc/64/69/41/363646941.db2.gz KXNRAYMKSYETQB-GFCCVEGCSA-N 1 2 276.340 0.834 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000611029948 363651867 /nfs/dbraw/zinc/65/18/67/363651867.db2.gz MDVCMEIMQPPRPA-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000611029948 363651872 /nfs/dbraw/zinc/65/18/72/363651872.db2.gz MDVCMEIMQPPRPA-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO CCN(CCC#N)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590602323 359497290 /nfs/dbraw/zinc/49/72/90/359497290.db2.gz VUXVVLZNKXMSCY-UHFFFAOYSA-N 1 2 261.329 0.530 20 30 CCEDLO COc1cccc2c1C[N@H+](CC(=O)NCC#N)CC2 ZINC000590759627 359518207 /nfs/dbraw/zinc/51/82/07/359518207.db2.gz AVZXFMIUBOLOSI-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO COc1cccc2c1C[N@@H+](CC(=O)NCC#N)CC2 ZINC000590759627 359518211 /nfs/dbraw/zinc/51/82/11/359518211.db2.gz AVZXFMIUBOLOSI-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO Cc1ccc(C#N)nc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000590586133 359491067 /nfs/dbraw/zinc/49/10/67/359491067.db2.gz KSPLLFJJNMFDJM-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO N#Cc1cncnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000591924442 359702170 /nfs/dbraw/zinc/70/21/70/359702170.db2.gz NMKIHGKKDZMBEP-GFCCVEGCSA-N 1 2 266.308 0.856 20 30 CCEDLO Cc1nc(N2CC[C@@](O)(CC#N)C2)nc(N(C)C)[nH+]1 ZINC000591974827 359716570 /nfs/dbraw/zinc/71/65/70/359716570.db2.gz LDZZEIWJHLSXOH-LBPRGKRZSA-N 1 2 262.317 0.101 20 30 CCEDLO Cc1nc(N(C)C)nc(N2CC[C@@](O)(CC#N)C2)[nH+]1 ZINC000591974827 359716573 /nfs/dbraw/zinc/71/65/73/359716573.db2.gz LDZZEIWJHLSXOH-LBPRGKRZSA-N 1 2 262.317 0.101 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148644 359766845 /nfs/dbraw/zinc/76/68/45/359766845.db2.gz YKNRQVSNBWBCNL-SNPRPXQTSA-N 1 2 292.383 0.780 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148644 359766851 /nfs/dbraw/zinc/76/68/51/359766851.db2.gz YKNRQVSNBWBCNL-SNPRPXQTSA-N 1 2 292.383 0.780 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000592148376 359767774 /nfs/dbraw/zinc/76/77/74/359767774.db2.gz UOAXTWWGRBSTLG-ZDUSSCGKSA-N 1 2 257.297 0.580 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000592148376 359767779 /nfs/dbraw/zinc/76/77/79/359767779.db2.gz UOAXTWWGRBSTLG-ZDUSSCGKSA-N 1 2 257.297 0.580 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148080 359767952 /nfs/dbraw/zinc/76/79/52/359767952.db2.gz QTBKXVPWAWRUQI-SMDDNHRTSA-N 1 2 296.371 0.207 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148080 359767956 /nfs/dbraw/zinc/76/79/56/359767956.db2.gz QTBKXVPWAWRUQI-SMDDNHRTSA-N 1 2 296.371 0.207 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592152569 359770388 /nfs/dbraw/zinc/77/03/88/359770388.db2.gz XZAYBFQSNGGTRA-INIZCTEOSA-N 1 2 298.346 0.525 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592152569 359770390 /nfs/dbraw/zinc/77/03/90/359770390.db2.gz XZAYBFQSNGGTRA-INIZCTEOSA-N 1 2 298.346 0.525 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CCC#N)CC1 ZINC000611173964 363671304 /nfs/dbraw/zinc/67/13/04/363671304.db2.gz ARODAQOOLYRWIY-CYBMUJFWSA-N 1 2 277.372 0.278 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(CCC#N)CC1 ZINC000611175680 363672127 /nfs/dbraw/zinc/67/21/27/363672127.db2.gz GENGEXVYPJZMEI-ZIAGYGMSSA-N 1 2 294.399 0.201 20 30 CCEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(CCC#N)CC1 ZINC000611175677 363672695 /nfs/dbraw/zinc/67/26/95/363672695.db2.gz GENGEXVYPJZMEI-KBPBESRZSA-N 1 2 294.399 0.201 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)CCC#N ZINC000611204611 363680141 /nfs/dbraw/zinc/68/01/41/363680141.db2.gz GXZLSQKQBKPMHC-LLVKDONJSA-N 1 2 268.361 0.157 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)CCC#N ZINC000611204611 363680151 /nfs/dbraw/zinc/68/01/51/363680151.db2.gz GXZLSQKQBKPMHC-LLVKDONJSA-N 1 2 268.361 0.157 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)C(=O)OC ZINC000592510175 359866591 /nfs/dbraw/zinc/86/65/91/359866591.db2.gz AKJFVVNMVFTHNL-NWDGAFQWSA-N 1 2 294.355 0.259 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn[nH]c1 ZINC000611285797 363702433 /nfs/dbraw/zinc/70/24/33/363702433.db2.gz PYJXQHKJPUILOZ-LLVKDONJSA-N 1 2 283.339 0.782 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn[nH]c1 ZINC000611285797 363702438 /nfs/dbraw/zinc/70/24/38/363702438.db2.gz PYJXQHKJPUILOZ-LLVKDONJSA-N 1 2 283.339 0.782 20 30 CCEDLO C=CCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000593153209 360048524 /nfs/dbraw/zinc/04/85/24/360048524.db2.gz DPPKYUHBKSFECA-GFCCVEGCSA-N 1 2 262.317 0.038 20 30 CCEDLO CC[C@H](C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000593700548 360137656 /nfs/dbraw/zinc/13/76/56/360137656.db2.gz VILKNPSAVWWJAD-JHJVBQTASA-N 1 2 265.357 0.858 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000593992776 360230451 /nfs/dbraw/zinc/23/04/51/360230451.db2.gz DRCOAWUQOXIJTD-VXGBXAGGSA-N 1 2 280.368 0.951 20 30 CCEDLO Cn1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(=O)n(C)c1=O ZINC000594612063 360340059 /nfs/dbraw/zinc/34/00/59/360340059.db2.gz KKTZJHZKHQOIHW-UHFFFAOYSA-N 1 2 296.330 0.471 20 30 CCEDLO Cn1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(=O)n(C)c1=O ZINC000594612063 360340062 /nfs/dbraw/zinc/34/00/62/360340062.db2.gz KKTZJHZKHQOIHW-UHFFFAOYSA-N 1 2 296.330 0.471 20 30 CCEDLO N#CC1(CNC(=O)CN2CC[NH2+]CC2=O)CCCCC1 ZINC000595258521 360462802 /nfs/dbraw/zinc/46/28/02/360462802.db2.gz PHFAERDGIBPOCE-UHFFFAOYSA-N 1 2 278.356 0.008 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623656 360602201 /nfs/dbraw/zinc/60/22/01/360602201.db2.gz WIEPTYQUBQRPPG-GRYCIOLGSA-N 1 2 272.370 0.424 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623656 360602202 /nfs/dbraw/zinc/60/22/02/360602202.db2.gz WIEPTYQUBQRPPG-GRYCIOLGSA-N 1 2 272.370 0.424 20 30 CCEDLO C[C@@H](C#N)N(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000595715782 360627586 /nfs/dbraw/zinc/62/75/86/360627586.db2.gz DLWMSVHIAMFMPM-AAEUAGOBSA-N 1 2 253.346 0.056 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1COCCO1 ZINC000595735211 360634698 /nfs/dbraw/zinc/63/46/98/360634698.db2.gz DYRPMEDBAOBKHU-JTQLQIEISA-N 1 2 253.327 0.862 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H]1COCCO1 ZINC000595735211 360634702 /nfs/dbraw/zinc/63/47/02/360634702.db2.gz DYRPMEDBAOBKHU-JTQLQIEISA-N 1 2 253.327 0.862 20 30 CCEDLO CC[N@H+](CCC(=O)N(C)CC(=O)OC)[C@H](C)C#N ZINC000595814248 360665264 /nfs/dbraw/zinc/66/52/64/360665264.db2.gz RPFFMXPTKSTSBH-SNVBAGLBSA-N 1 2 255.318 0.242 20 30 CCEDLO CC[N@@H+](CCC(=O)N(C)CC(=O)OC)[C@H](C)C#N ZINC000595814248 360665271 /nfs/dbraw/zinc/66/52/71/360665271.db2.gz RPFFMXPTKSTSBH-SNVBAGLBSA-N 1 2 255.318 0.242 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@H](C)CO1 ZINC000596454255 360899250 /nfs/dbraw/zinc/89/92/50/360899250.db2.gz RKEOQWARJDNMIG-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@H](C)CO1 ZINC000596454255 360899253 /nfs/dbraw/zinc/89/92/53/360899253.db2.gz RKEOQWARJDNMIG-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596550600 360918957 /nfs/dbraw/zinc/91/89/57/360918957.db2.gz VHWCIIZOHXLPRZ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO N#CC1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000596633016 360934654 /nfs/dbraw/zinc/93/46/54/360934654.db2.gz UEHUUEJSSAWGSC-ZDUSSCGKSA-N 1 2 292.383 0.796 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000596701646 360943028 /nfs/dbraw/zinc/94/30/28/360943028.db2.gz WNVWQTPJOQVHJA-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](F)(C#N)C1 ZINC000597544938 361134190 /nfs/dbraw/zinc/13/41/90/361134190.db2.gz FKZBVDSVZGQCRH-BREBYQMCSA-N 1 2 262.288 0.988 20 30 CCEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)CO ZINC000597741771 361223678 /nfs/dbraw/zinc/22/36/78/361223678.db2.gz JPLSBLNWCDZHRM-JTQLQIEISA-N 1 2 272.308 0.599 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)[C@@H](C)CO1 ZINC000597996894 361304910 /nfs/dbraw/zinc/30/49/10/361304910.db2.gz RACYMDMIPDALHE-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)[C@@H](C)CO1 ZINC000597996894 361304916 /nfs/dbraw/zinc/30/49/16/361304916.db2.gz RACYMDMIPDALHE-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)n2)[C@H](C)CO1 ZINC000597997623 361305122 /nfs/dbraw/zinc/30/51/22/361305122.db2.gz SYKVFIODUDNINN-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)n2)[C@H](C)CO1 ZINC000597997623 361305126 /nfs/dbraw/zinc/30/51/26/361305126.db2.gz SYKVFIODUDNINN-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1nc2ccccn2c1C#N ZINC000599160559 361592569 /nfs/dbraw/zinc/59/25/69/361592569.db2.gz MWGKASNGLXEYCG-LLVKDONJSA-N 1 2 271.324 0.948 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1nc2ccccn2c1C#N ZINC000599160559 361592571 /nfs/dbraw/zinc/59/25/71/361592571.db2.gz MWGKASNGLXEYCG-LLVKDONJSA-N 1 2 271.324 0.948 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000599434102 361700007 /nfs/dbraw/zinc/70/00/07/361700007.db2.gz RCSUXDHYJWJPCR-UHFFFAOYSA-N 1 2 281.356 0.240 20 30 CCEDLO C[C@]1(C#N)CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000612164952 363859255 /nfs/dbraw/zinc/85/92/55/363859255.db2.gz HFWMAFDNFLHUOV-GFCCVEGCSA-N 1 2 271.386 0.648 20 30 CCEDLO C[C@]1(C#N)CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000612164952 363859258 /nfs/dbraw/zinc/85/92/58/363859258.db2.gz HFWMAFDNFLHUOV-GFCCVEGCSA-N 1 2 271.386 0.648 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613252451 364181070 /nfs/dbraw/zinc/18/10/70/364181070.db2.gz GKJJZVBMKYEEJU-MNOVXSKESA-N 1 2 263.341 0.815 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613252451 364181074 /nfs/dbraw/zinc/18/10/74/364181074.db2.gz GKJJZVBMKYEEJU-MNOVXSKESA-N 1 2 263.341 0.815 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613676074 364337706 /nfs/dbraw/zinc/33/77/06/364337706.db2.gz WMWFEUCKIQPDKU-QWHCGFSZSA-N 1 2 290.367 0.785 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000614179090 364522126 /nfs/dbraw/zinc/52/21/26/364522126.db2.gz PSPPJGSBIOPSET-CQSZACIVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000614179090 364522132 /nfs/dbraw/zinc/52/21/32/364522132.db2.gz PSPPJGSBIOPSET-CQSZACIVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614668094 364696587 /nfs/dbraw/zinc/69/65/87/364696587.db2.gz LEWREVIVLWMVLK-BXUZGUMPSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614668094 364696589 /nfs/dbraw/zinc/69/65/89/364696589.db2.gz LEWREVIVLWMVLK-BXUZGUMPSA-N 1 2 294.355 0.335 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615546090 365000687 /nfs/dbraw/zinc/00/06/87/365000687.db2.gz FQAPJKREFGUALT-GXTWGEPZSA-N 1 2 297.378 0.269 20 30 CCEDLO CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2F)CC1 ZINC000565063719 291341804 /nfs/dbraw/zinc/34/18/04/291341804.db2.gz YWAWPPQXVPIGBO-ZDUSSCGKSA-N 1 2 293.342 0.684 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615629921 365026599 /nfs/dbraw/zinc/02/65/99/365026599.db2.gz XKTIEZILWUAASF-CYBMUJFWSA-N 1 2 292.270 0.493 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615755771 365078921 /nfs/dbraw/zinc/07/89/21/365078921.db2.gz XRBSKEWXXKLKFN-LBPRGKRZSA-N 1 2 276.340 0.834 20 30 CCEDLO C=CC[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631981917 370810120 /nfs/dbraw/zinc/81/01/20/370810120.db2.gz JNUMTFZAIRATRM-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CC[C@@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631981917 370810124 /nfs/dbraw/zinc/81/01/24/370810124.db2.gz JNUMTFZAIRATRM-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623337289 367539426 /nfs/dbraw/zinc/53/94/26/367539426.db2.gz BZFGPYIDLMIXPR-AWEZNQCLSA-N 1 2 290.367 0.768 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623337289 367539432 /nfs/dbraw/zinc/53/94/32/367539432.db2.gz BZFGPYIDLMIXPR-AWEZNQCLSA-N 1 2 290.367 0.768 20 30 CCEDLO C=C(C)CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632186982 370912831 /nfs/dbraw/zinc/91/28/31/370912831.db2.gz RZFUGJPVSSNLGU-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO C=C(C)CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632186982 370912836 /nfs/dbraw/zinc/91/28/36/370912836.db2.gz RZFUGJPVSSNLGU-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO C=CC[N@H+](Cc1nnc2n1CCOC2)[C@@H](C)COC ZINC000656403576 412789548 /nfs/dbraw/zinc/78/95/48/412789548.db2.gz TVAATNXOMTYKME-NSHDSACASA-N 1 2 266.345 0.831 20 30 CCEDLO C=CC[N@@H+](Cc1nnc2n1CCOC2)[C@@H](C)COC ZINC000656403576 412789551 /nfs/dbraw/zinc/78/95/51/412789551.db2.gz TVAATNXOMTYKME-NSHDSACASA-N 1 2 266.345 0.831 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000331793693 204169574 /nfs/dbraw/zinc/16/95/74/204169574.db2.gz VQYOMBOFWDBODV-VXGBXAGGSA-N 1 2 299.338 0.456 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000574404746 335015331 /nfs/dbraw/zinc/01/53/31/335015331.db2.gz SEBCKBDXBFGTGN-WCFLWFBJSA-N 1 2 251.330 0.373 20 30 CCEDLO C=CCN(Cc1c[nH+]c(N)nc1N)CC(F)(F)F ZINC000637969837 374518898 /nfs/dbraw/zinc/51/88/98/374518898.db2.gz JQGQEPNMUQJHAL-UHFFFAOYSA-N 1 2 261.251 0.852 20 30 CCEDLO C=CCCC(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000638874074 375418862 /nfs/dbraw/zinc/41/88/62/375418862.db2.gz DMFLVSXRAKFWRT-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CC[N@H+](C[C@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000639532115 375825279 /nfs/dbraw/zinc/82/52/79/375825279.db2.gz RYSAYOSXOYCUBC-NEPJUHHUSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000639532115 375825282 /nfs/dbraw/zinc/82/52/82/375825282.db2.gz RYSAYOSXOYCUBC-NEPJUHHUSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CCCCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640939395 376629215 /nfs/dbraw/zinc/62/92/15/376629215.db2.gz OQYPTLXKGJSBJZ-LBPRGKRZSA-N 1 2 298.412 0.911 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267670242 190346050 /nfs/dbraw/zinc/34/60/50/190346050.db2.gz OFFXGKFBDSHNNJ-UHFFFAOYSA-N 1 2 265.316 0.743 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000331622153 533112486 /nfs/dbraw/zinc/11/24/86/533112486.db2.gz YADQLBGKLZFPNC-JTQLQIEISA-N 1 2 299.338 0.172 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1C#N ZINC000185543454 388808090 /nfs/dbraw/zinc/80/80/90/388808090.db2.gz LPGCFLAOZHAFCK-CHWSQXEVSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccccc1C#N ZINC000185543454 388808092 /nfs/dbraw/zinc/80/80/92/388808092.db2.gz LPGCFLAOZHAFCK-CHWSQXEVSA-N 1 2 290.319 0.545 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000025673266 388816852 /nfs/dbraw/zinc/81/68/52/388816852.db2.gz RBYZGZFRICMOQN-UHFFFAOYSA-N 1 2 276.321 0.733 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000186315954 388832524 /nfs/dbraw/zinc/83/25/24/388832524.db2.gz OPBVFVSZRZGUSJ-ZDUSSCGKSA-N 1 2 287.363 0.892 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000288659348 388864284 /nfs/dbraw/zinc/86/42/84/388864284.db2.gz VCHHIURRMJHBDS-UHFFFAOYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000288659348 388864288 /nfs/dbraw/zinc/86/42/88/388864288.db2.gz VCHHIURRMJHBDS-UHFFFAOYSA-N 1 2 297.399 0.296 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCN1CCO ZINC000187738794 388894298 /nfs/dbraw/zinc/89/42/98/388894298.db2.gz PIXVNBJTCFCVBG-CQSZACIVSA-N 1 2 289.379 0.935 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCN1CCO ZINC000187738794 388894302 /nfs/dbraw/zinc/89/43/02/388894302.db2.gz PIXVNBJTCFCVBG-CQSZACIVSA-N 1 2 289.379 0.935 20 30 CCEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289824568 388896129 /nfs/dbraw/zinc/89/61/29/388896129.db2.gz JMKUUZTZNBMYLF-UHFFFAOYSA-N 1 2 265.338 0.845 20 30 CCEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289824568 388896133 /nfs/dbraw/zinc/89/61/33/388896133.db2.gz JMKUUZTZNBMYLF-UHFFFAOYSA-N 1 2 265.338 0.845 20 30 CCEDLO C=C(C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000187866714 388899837 /nfs/dbraw/zinc/89/98/37/388899837.db2.gz AAPDSADVTVYDHO-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000187866714 388899842 /nfs/dbraw/zinc/89/98/42/388899842.db2.gz AAPDSADVTVYDHO-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495582823 262280278 /nfs/dbraw/zinc/28/02/78/262280278.db2.gz DCXPZOCCHMPZAS-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000187340547 388878077 /nfs/dbraw/zinc/87/80/77/388878077.db2.gz BPGUPLQZBRLRJJ-HNNXBMFYSA-N 1 2 294.399 0.739 20 30 CCEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000187340547 388878081 /nfs/dbraw/zinc/87/80/81/388878081.db2.gz BPGUPLQZBRLRJJ-HNNXBMFYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@H](C)C#N ZINC000049000622 388912960 /nfs/dbraw/zinc/91/29/60/388912960.db2.gz ZQHFWASSFMBFJJ-SECBINFHSA-N 1 2 252.318 0.456 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NC1CC1)C[C@H](C)C#N ZINC000049000622 388912963 /nfs/dbraw/zinc/91/29/63/388912963.db2.gz ZQHFWASSFMBFJJ-SECBINFHSA-N 1 2 252.318 0.456 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834317 388927690 /nfs/dbraw/zinc/92/76/90/388927690.db2.gz JTCPGALSYVHHRF-CQSZACIVSA-N 1 2 287.363 0.852 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834317 388927691 /nfs/dbraw/zinc/92/76/91/388927691.db2.gz JTCPGALSYVHHRF-CQSZACIVSA-N 1 2 287.363 0.852 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(F)F)CC1 ZINC000057915585 388934510 /nfs/dbraw/zinc/93/45/10/388934510.db2.gz BRQUUSZKUCEBAD-NSHDSACASA-N 1 2 288.342 0.630 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(F)F)CC1 ZINC000057915590 388934524 /nfs/dbraw/zinc/93/45/24/388934524.db2.gz BRQUUSZKUCEBAD-LLVKDONJSA-N 1 2 288.342 0.630 20 30 CCEDLO CCS(=O)(=O)N(C)C1CC[NH+](CCC#N)CC1 ZINC000066879772 388946757 /nfs/dbraw/zinc/94/67/57/388946757.db2.gz YOAJCANYKCILSC-UHFFFAOYSA-N 1 2 259.375 0.646 20 30 CCEDLO C=CCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000292383389 388948225 /nfs/dbraw/zinc/94/82/25/388948225.db2.gz RQXLMYASPMEKTL-UHFFFAOYSA-N 1 2 255.343 0.995 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000076185818 388986041 /nfs/dbraw/zinc/98/60/41/388986041.db2.gz IOIPAFNTQPPVGF-OCCSQVGLSA-N 1 2 278.352 0.259 20 30 CCEDLO CCc1nnc(C2CC[NH+](CC(=O)NCC#N)CC2)[nH]1 ZINC000190654738 388996677 /nfs/dbraw/zinc/99/66/77/388996677.db2.gz FJYFYHIGBJOLJP-UHFFFAOYSA-N 1 2 276.344 0.186 20 30 CCEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)NCC#N)CC2)n1 ZINC000190654738 388996682 /nfs/dbraw/zinc/99/66/82/388996682.db2.gz FJYFYHIGBJOLJP-UHFFFAOYSA-N 1 2 276.344 0.186 20 30 CCEDLO CCc1nc(C2CC[NH+](CC(=O)NCC#N)CC2)n[nH]1 ZINC000190654738 388996686 /nfs/dbraw/zinc/99/66/86/388996686.db2.gz FJYFYHIGBJOLJP-UHFFFAOYSA-N 1 2 276.344 0.186 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)nn1C ZINC000191144322 389007679 /nfs/dbraw/zinc/00/76/79/389007679.db2.gz SWHZBMZKHADTBZ-UHFFFAOYSA-N 1 2 266.345 0.801 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)nn1C ZINC000191144322 389007683 /nfs/dbraw/zinc/00/76/83/389007683.db2.gz SWHZBMZKHADTBZ-UHFFFAOYSA-N 1 2 266.345 0.801 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000191217067 389008714 /nfs/dbraw/zinc/00/87/14/389008714.db2.gz FZZVRXNRARBNGX-MDZLAQPJSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000191217067 389008715 /nfs/dbraw/zinc/00/87/15/389008715.db2.gz FZZVRXNRARBNGX-MDZLAQPJSA-N 1 2 266.341 0.562 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298461022 389021693 /nfs/dbraw/zinc/02/16/93/389021693.db2.gz LTTZRDSOPGDBQI-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354400274 389023515 /nfs/dbraw/zinc/02/35/15/389023515.db2.gz OROCLWLEJWSEHM-AWEZNQCLSA-N 1 2 278.356 0.381 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2C[C@H](C)O)C1=O ZINC000337206841 389055302 /nfs/dbraw/zinc/05/53/02/389055302.db2.gz NIKITCDUKRTZSC-XQQFMLRXSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@H](C)O)C1=O ZINC000337206841 389055304 /nfs/dbraw/zinc/05/53/04/389055304.db2.gz NIKITCDUKRTZSC-XQQFMLRXSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226353 389056668 /nfs/dbraw/zinc/05/66/68/389056668.db2.gz PDXGNPISHTVVOY-OLZOCXBDSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226353 389056669 /nfs/dbraw/zinc/05/66/69/389056669.db2.gz PDXGNPISHTVVOY-OLZOCXBDSA-N 1 2 279.384 0.714 20 30 CCEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)C[C@@H](C)O1 ZINC000102823117 389075225 /nfs/dbraw/zinc/07/52/25/389075225.db2.gz WRBMBFMDMBJJNV-MCIONIFRSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)NCC#N)C[C@@H](C)O1 ZINC000102823117 389075228 /nfs/dbraw/zinc/07/52/28/389075228.db2.gz WRBMBFMDMBJJNV-MCIONIFRSA-N 1 2 294.399 0.200 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000305225886 389085334 /nfs/dbraw/zinc/08/53/34/389085334.db2.gz YPHWQMVBJZSTFL-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000305772363 389088820 /nfs/dbraw/zinc/08/88/20/389088820.db2.gz KYSRMXKNTNJMOS-ONGXEEELSA-N 1 2 293.289 0.650 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000305772363 389088822 /nfs/dbraw/zinc/08/88/22/389088822.db2.gz KYSRMXKNTNJMOS-ONGXEEELSA-N 1 2 293.289 0.650 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105931008 389089337 /nfs/dbraw/zinc/08/93/37/389089337.db2.gz QCIGZSANCCEEPX-CYBMUJFWSA-N 1 2 291.399 0.228 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355635992 389106654 /nfs/dbraw/zinc/10/66/54/389106654.db2.gz FWFGBZBTLLOOQW-DZGCQCFKSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355635992 389106657 /nfs/dbraw/zinc/10/66/57/389106657.db2.gz FWFGBZBTLLOOQW-DZGCQCFKSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000312077083 389107548 /nfs/dbraw/zinc/10/75/48/389107548.db2.gz QUDNPSKLDFFCEP-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000312077083 389107552 /nfs/dbraw/zinc/10/75/52/389107552.db2.gz QUDNPSKLDFFCEP-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000121437189 389148016 /nfs/dbraw/zinc/14/80/16/389148016.db2.gz KQBJHKBLGXZQJJ-UHFFFAOYSA-N 1 2 290.302 0.858 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000121437189 389148020 /nfs/dbraw/zinc/14/80/20/389148020.db2.gz KQBJHKBLGXZQJJ-UHFFFAOYSA-N 1 2 290.302 0.858 20 30 CCEDLO C=CCOCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000339036205 389122589 /nfs/dbraw/zinc/12/25/89/389122589.db2.gz RJMWQZMGBBBPTG-GFCCVEGCSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CCOCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000339036205 389122591 /nfs/dbraw/zinc/12/25/91/389122591.db2.gz RJMWQZMGBBBPTG-GFCCVEGCSA-N 1 2 259.371 0.841 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OC)CC1 ZINC000112920629 389128889 /nfs/dbraw/zinc/12/88/89/389128889.db2.gz ZXHKHMXBBPFIRU-UHFFFAOYSA-N 1 2 287.363 0.885 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000339921967 389140813 /nfs/dbraw/zinc/14/08/13/389140813.db2.gz SAQFSLQNMQQTHH-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000339921967 389140817 /nfs/dbraw/zinc/14/08/17/389140817.db2.gz SAQFSLQNMQQTHH-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCC2(O)CCC2)C1 ZINC000328846875 389141132 /nfs/dbraw/zinc/14/11/32/389141132.db2.gz ANOIESHLLUYLLM-GFCCVEGCSA-N 1 2 284.404 0.041 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC2(O)CCC2)C1 ZINC000328846875 389141135 /nfs/dbraw/zinc/14/11/35/389141135.db2.gz ANOIESHLLUYLLM-GFCCVEGCSA-N 1 2 284.404 0.041 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000339921970 389141288 /nfs/dbraw/zinc/14/12/88/389141288.db2.gz SAQFSLQNMQQTHH-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000339921970 389141290 /nfs/dbraw/zinc/14/12/90/389141290.db2.gz SAQFSLQNMQQTHH-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO Cn1cc([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1=O ZINC000329722543 389192100 /nfs/dbraw/zinc/19/21/00/389192100.db2.gz BANCLHRLAPQAAT-SECBINFHSA-N 1 2 287.323 0.992 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H](F)C2)C1 ZINC000329286360 389154446 /nfs/dbraw/zinc/15/44/46/389154446.db2.gz PFJJASHVXJOWLE-GMTAPVOTSA-N 1 2 259.325 0.711 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H](F)C2)C1 ZINC000329286360 389154450 /nfs/dbraw/zinc/15/44/50/389154450.db2.gz PFJJASHVXJOWLE-GMTAPVOTSA-N 1 2 259.325 0.711 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCOC1 ZINC000329292211 389154496 /nfs/dbraw/zinc/15/44/96/389154496.db2.gz IVUKHDNTYSGHAN-SDDRHHMPSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCOC1 ZINC000329292211 389154498 /nfs/dbraw/zinc/15/44/98/389154498.db2.gz IVUKHDNTYSGHAN-SDDRHHMPSA-N 1 2 271.361 0.246 20 30 CCEDLO CC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC000329283126 389154698 /nfs/dbraw/zinc/15/46/98/389154698.db2.gz FOELTNVQCXCUDL-OLZOCXBDSA-N 1 2 285.388 0.732 20 30 CCEDLO CC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000329283126 389154702 /nfs/dbraw/zinc/15/47/02/389154702.db2.gz FOELTNVQCXCUDL-OLZOCXBDSA-N 1 2 285.388 0.732 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329296378 389155329 /nfs/dbraw/zinc/15/53/29/389155329.db2.gz ORSQZOAXYCLPQL-RQJABVFESA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329296378 389155331 /nfs/dbraw/zinc/15/53/31/389155331.db2.gz ORSQZOAXYCLPQL-RQJABVFESA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000329375405 389160710 /nfs/dbraw/zinc/16/07/10/389160710.db2.gz LIAZOQYHYYJSTA-VXGBXAGGSA-N 1 2 296.371 0.960 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000329414165 389162434 /nfs/dbraw/zinc/16/24/34/389162434.db2.gz YQQXDMCQTZOOJM-QJPTWQEYSA-N 1 2 254.330 0.601 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000329414165 389162437 /nfs/dbraw/zinc/16/24/37/389162437.db2.gz YQQXDMCQTZOOJM-QJPTWQEYSA-N 1 2 254.330 0.601 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329612332 389176359 /nfs/dbraw/zinc/17/63/59/389176359.db2.gz OJMWJPKSYLEFSE-CQSZACIVSA-N 1 2 294.355 0.716 20 30 CCEDLO Cc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000330555256 389241183 /nfs/dbraw/zinc/24/11/83/389241183.db2.gz ZGDUVBAZLJGITH-CQSZACIVSA-N 1 2 297.355 0.679 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247623763 389241355 /nfs/dbraw/zinc/24/13/55/389241355.db2.gz UCRFRPMOESXSGH-NWDGAFQWSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247623763 389241356 /nfs/dbraw/zinc/24/13/56/389241356.db2.gz UCRFRPMOESXSGH-NWDGAFQWSA-N 1 2 266.345 0.814 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000330605624 389245844 /nfs/dbraw/zinc/24/58/44/389245844.db2.gz MLTIYXIURLTIAG-JTQLQIEISA-N 1 2 295.343 0.005 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000330605624 389245846 /nfs/dbraw/zinc/24/58/46/389245846.db2.gz MLTIYXIURLTIAG-JTQLQIEISA-N 1 2 295.343 0.005 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248567728 389246772 /nfs/dbraw/zinc/24/67/72/389246772.db2.gz LFIODDGQBLMBQJ-RWMBFGLXSA-N 1 2 285.388 0.332 20 30 CCEDLO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000330621520 389247298 /nfs/dbraw/zinc/24/72/98/389247298.db2.gz MGYQESUMGFMWCJ-SNVBAGLBSA-N 1 2 279.344 0.178 20 30 CCEDLO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000330621520 389247299 /nfs/dbraw/zinc/24/72/99/389247299.db2.gz MGYQESUMGFMWCJ-SNVBAGLBSA-N 1 2 279.344 0.178 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NC1CCCC1 ZINC000330620328 389247319 /nfs/dbraw/zinc/24/73/19/389247319.db2.gz JSGMVYLTZVDKGV-UHFFFAOYSA-N 1 2 270.377 0.453 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC000330620328 389247320 /nfs/dbraw/zinc/24/73/20/389247320.db2.gz JSGMVYLTZVDKGV-UHFFFAOYSA-N 1 2 270.377 0.453 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000343315336 389264242 /nfs/dbraw/zinc/26/42/42/389264242.db2.gz PJWQYMOZRNDEAH-JTQLQIEISA-N 1 2 257.359 0.291 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000343315336 389264244 /nfs/dbraw/zinc/26/42/44/389264244.db2.gz PJWQYMOZRNDEAH-JTQLQIEISA-N 1 2 257.359 0.291 20 30 CCEDLO CNC(=O)C1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329858183 389207119 /nfs/dbraw/zinc/20/71/19/389207119.db2.gz ZWRWTSJVDGBZMY-VIFPVBQESA-N 1 2 262.313 0.490 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329882690 389208667 /nfs/dbraw/zinc/20/86/67/389208667.db2.gz QFWAGDSKYPBRPU-JTQLQIEISA-N 1 2 280.328 0.301 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329882690 389208669 /nfs/dbraw/zinc/20/86/69/389208669.db2.gz QFWAGDSKYPBRPU-JTQLQIEISA-N 1 2 280.328 0.301 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)OC ZINC000361111295 389208794 /nfs/dbraw/zinc/20/87/94/389208794.db2.gz SEFVZVXFIBEHQU-SRVKXCTJSA-N 1 2 257.330 0.745 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000361512364 389218290 /nfs/dbraw/zinc/21/82/90/389218290.db2.gz YKWJWKIRXQUQIP-UHFFFAOYSA-N 1 2 252.314 0.685 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000361512364 389218293 /nfs/dbraw/zinc/21/82/93/389218293.db2.gz YKWJWKIRXQUQIP-UHFFFAOYSA-N 1 2 252.314 0.685 20 30 CCEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC000330437652 389229502 /nfs/dbraw/zinc/22/95/02/389229502.db2.gz BXPZVUFBIDPOJS-NSHDSACASA-N 1 2 295.339 0.093 20 30 CCEDLO Cc1ccccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330437416 389229547 /nfs/dbraw/zinc/22/95/47/389229547.db2.gz BSIMYRXCFQGNKZ-ZDUSSCGKSA-N 1 2 278.352 0.993 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CCC(CO)CC1 ZINC000330453924 389230911 /nfs/dbraw/zinc/23/09/11/389230911.db2.gz LTFHQKLFXUSWPQ-UHFFFAOYSA-N 1 2 252.318 0.501 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC(CO)CC1 ZINC000330453924 389230915 /nfs/dbraw/zinc/23/09/15/389230915.db2.gz LTFHQKLFXUSWPQ-UHFFFAOYSA-N 1 2 252.318 0.501 20 30 CCEDLO COC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000246943600 389233469 /nfs/dbraw/zinc/23/34/69/389233469.db2.gz QWLQGYMGZNYQMQ-VXGBXAGGSA-N 1 2 269.345 0.094 20 30 CCEDLO COC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000246943600 389233471 /nfs/dbraw/zinc/23/34/71/389233471.db2.gz QWLQGYMGZNYQMQ-VXGBXAGGSA-N 1 2 269.345 0.094 20 30 CCEDLO CC(C)[C@@H](CO)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362339286 389233876 /nfs/dbraw/zinc/23/38/76/389233876.db2.gz JQDGWWDTTOEPOU-CQSZACIVSA-N 1 2 297.399 0.325 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133484137 389236108 /nfs/dbraw/zinc/23/61/08/389236108.db2.gz OUAHEKREJHIZGT-MNOVXSKESA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133484137 389236109 /nfs/dbraw/zinc/23/61/09/389236109.db2.gz OUAHEKREJHIZGT-MNOVXSKESA-N 1 2 251.330 0.032 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCC(N)=O ZINC000330505603 389236421 /nfs/dbraw/zinc/23/64/21/389236421.db2.gz BCLLCUGCFTZAGT-UHFFFAOYSA-N 1 2 272.349 0.526 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCC(N)=O ZINC000330505603 389236424 /nfs/dbraw/zinc/23/64/24/389236424.db2.gz BCLLCUGCFTZAGT-UHFFFAOYSA-N 1 2 272.349 0.526 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330517470 389237912 /nfs/dbraw/zinc/23/79/12/389237912.db2.gz MRRORPWPUMJQJR-CYBMUJFWSA-N 1 2 269.345 0.704 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330517470 389237914 /nfs/dbraw/zinc/23/79/14/389237914.db2.gz MRRORPWPUMJQJR-CYBMUJFWSA-N 1 2 269.345 0.704 20 30 CCEDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345893503 389317632 /nfs/dbraw/zinc/31/76/32/389317632.db2.gz TYGURUISKYIGCN-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345893503 389317635 /nfs/dbraw/zinc/31/76/35/389317635.db2.gz TYGURUISKYIGCN-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156324731 389325734 /nfs/dbraw/zinc/32/57/34/389325734.db2.gz BXUZHYUYBREJLC-GFCCVEGCSA-N 1 2 260.297 0.174 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156324731 389325737 /nfs/dbraw/zinc/32/57/37/389325737.db2.gz BXUZHYUYBREJLC-GFCCVEGCSA-N 1 2 260.297 0.174 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000346337063 389326733 /nfs/dbraw/zinc/32/67/33/389326733.db2.gz MSBCMSPQAWQAPY-RDBSUJKOSA-N 1 2 279.384 0.084 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268485599 389380662 /nfs/dbraw/zinc/38/06/62/389380662.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268485599 389380663 /nfs/dbraw/zinc/38/06/63/389380663.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268485599 389380664 /nfs/dbraw/zinc/38/06/64/389380664.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268485599 389380665 /nfs/dbraw/zinc/38/06/65/389380665.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268485599 389380666 /nfs/dbraw/zinc/38/06/66/389380666.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268485599 389380667 /nfs/dbraw/zinc/38/06/67/389380667.db2.gz OXNUVAJFIVXWSU-NSHDSACASA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347343876 389351853 /nfs/dbraw/zinc/35/18/53/389351853.db2.gz FHISVCPRRGMDOM-SKDRFNHKSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347343876 389351860 /nfs/dbraw/zinc/35/18/60/389351860.db2.gz FHISVCPRRGMDOM-SKDRFNHKSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)N(C)C)CC2)C1=O ZINC000334324152 389466545 /nfs/dbraw/zinc/46/65/45/389466545.db2.gz AAJHITPSUOUPTI-LBPRGKRZSA-N 1 2 280.372 0.073 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412365462 389478939 /nfs/dbraw/zinc/47/89/39/389478939.db2.gz KXEBGAIAJBDSHA-GFCCVEGCSA-N 1 2 284.356 0.190 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412365462 389478940 /nfs/dbraw/zinc/47/89/40/389478940.db2.gz KXEBGAIAJBDSHA-GFCCVEGCSA-N 1 2 284.356 0.190 20 30 CCEDLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)nn1CCC#N ZINC000271101603 389439248 /nfs/dbraw/zinc/43/92/48/389439248.db2.gz YEHKJDJIQRMJIS-LLVKDONJSA-N 1 2 277.328 0.374 20 30 CCEDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1CCC#N ZINC000271101603 389439250 /nfs/dbraw/zinc/43/92/50/389439250.db2.gz YEHKJDJIQRMJIS-LLVKDONJSA-N 1 2 277.328 0.374 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120607 389444390 /nfs/dbraw/zinc/44/43/90/389444390.db2.gz OXBZBLOQUWZRCQ-CHWSQXEVSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120607 389444395 /nfs/dbraw/zinc/44/43/95/389444395.db2.gz OXBZBLOQUWZRCQ-CHWSQXEVSA-N 1 2 270.373 0.803 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC)c(CC)n2)CC1 ZINC000277885625 389557509 /nfs/dbraw/zinc/55/75/09/389557509.db2.gz PYXXYDUBXHKIDL-UHFFFAOYSA-N 1 2 259.357 0.752 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC2CC2)C1=O ZINC000281384162 389615312 /nfs/dbraw/zinc/61/53/12/389615312.db2.gz PIXBDQOXLORNME-CMPLNLGQSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC2CC2)C1=O ZINC000281384162 389615314 /nfs/dbraw/zinc/61/53/14/389615314.db2.gz PIXBDQOXLORNME-CMPLNLGQSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCCCC2)C1=O ZINC000281486889 389617751 /nfs/dbraw/zinc/61/77/51/389617751.db2.gz XBUOUERLTYFPHF-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCCCC2)C1=O ZINC000281486889 389617753 /nfs/dbraw/zinc/61/77/53/389617753.db2.gz XBUOUERLTYFPHF-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000424732588 389630816 /nfs/dbraw/zinc/63/08/16/389630816.db2.gz HMMXHHQUTPMPEN-GFCCVEGCSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nncn2C)C1=O ZINC000281964122 389640925 /nfs/dbraw/zinc/64/09/25/389640925.db2.gz KQTURGXPJMRZPD-RYUDHWBXSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nncn2C)C1=O ZINC000281964122 389640927 /nfs/dbraw/zinc/64/09/27/389640927.db2.gz KQTURGXPJMRZPD-RYUDHWBXSA-N 1 2 275.356 0.739 20 30 CCEDLO N#C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000177144925 389573904 /nfs/dbraw/zinc/57/39/04/389573904.db2.gz NVJOEPYGHFMWCQ-CYBMUJFWSA-N 1 2 269.308 0.992 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374458204 389581750 /nfs/dbraw/zinc/58/17/50/389581750.db2.gz YPQRXPFUKPGOBQ-QWRGUYRKSA-N 1 2 297.384 0.883 20 30 CCEDLO C[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000351515050 389601178 /nfs/dbraw/zinc/60/11/78/389601178.db2.gz RMLCJZAZQSMTFY-UHFFFAOYSA-N 1 2 264.716 0.994 20 30 CCEDLO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414158936 389603527 /nfs/dbraw/zinc/60/35/27/389603527.db2.gz XYMVUHZVHNDRPV-SWLSCSKDSA-N 1 2 295.383 0.614 20 30 CCEDLO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414158936 389603529 /nfs/dbraw/zinc/60/35/29/389603529.db2.gz XYMVUHZVHNDRPV-SWLSCSKDSA-N 1 2 295.383 0.614 20 30 CCEDLO CSCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000178406336 389605284 /nfs/dbraw/zinc/60/52/84/389605284.db2.gz VEQKVHYYIQUXMA-UHFFFAOYSA-N 1 2 257.403 0.897 20 30 CCEDLO CSCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000178406336 389605286 /nfs/dbraw/zinc/60/52/86/389605286.db2.gz VEQKVHYYIQUXMA-UHFFFAOYSA-N 1 2 257.403 0.897 20 30 CCEDLO CC#CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336629260 389661214 /nfs/dbraw/zinc/66/12/14/389661214.db2.gz MFQUPFJMRFRSNW-OLZOCXBDSA-N 1 2 265.357 0.514 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](COC(C)C)C2)C1=O ZINC000375607224 389691070 /nfs/dbraw/zinc/69/10/70/389691070.db2.gz LJGAVLSXXKHRGS-UONOGXRCSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](COC(C)C)C2)C1=O ZINC000375607224 389691073 /nfs/dbraw/zinc/69/10/73/389691073.db2.gz LJGAVLSXXKHRGS-UONOGXRCSA-N 1 2 282.384 0.899 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000375666601 389698918 /nfs/dbraw/zinc/69/89/18/389698918.db2.gz WSEQEQBSAKMVSZ-STQMWFEESA-N 1 2 298.412 0.786 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000375666601 389698919 /nfs/dbraw/zinc/69/89/19/389698919.db2.gz WSEQEQBSAKMVSZ-STQMWFEESA-N 1 2 298.412 0.786 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375929047 389726943 /nfs/dbraw/zinc/72/69/43/389726943.db2.gz CQRYZRYXOSJBOR-UFYHVXEKSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375929047 389726946 /nfs/dbraw/zinc/72/69/46/389726946.db2.gz CQRYZRYXOSJBOR-UFYHVXEKSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSCC#N ZINC000376188913 389730936 /nfs/dbraw/zinc/73/09/36/389730936.db2.gz ROMWGSCSCCYJMY-NEPJUHHUSA-N 1 2 283.397 0.565 20 30 CCEDLO C#CCCCS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000376371067 389734454 /nfs/dbraw/zinc/73/44/54/389734454.db2.gz YXZXBSKNCLLHNG-UHFFFAOYSA-N 1 2 267.354 0.750 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352469102 389815739 /nfs/dbraw/zinc/81/57/39/389815739.db2.gz WDCMUPBUGQFYES-UHFFFAOYSA-N 1 2 299.346 0.774 20 30 CCEDLO N#CC1(F)CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000352479112 389817439 /nfs/dbraw/zinc/81/74/39/389817439.db2.gz ARELCVHTZYQKKZ-UHFFFAOYSA-N 1 2 275.349 0.350 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661017 389833421 /nfs/dbraw/zinc/83/34/21/389833421.db2.gz QHHPMSGNDIMDPD-LALPHHSUSA-N 1 2 294.399 0.592 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661017 389833423 /nfs/dbraw/zinc/83/34/23/389833423.db2.gz QHHPMSGNDIMDPD-LALPHHSUSA-N 1 2 294.399 0.592 20 30 CCEDLO N#Cc1cscc1C(=O)N1CC[NH+](CCO)CC1 ZINC000432404362 389880156 /nfs/dbraw/zinc/88/01/56/389880156.db2.gz UHNWECBKGRCHPY-UHFFFAOYSA-N 1 2 265.338 0.370 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454066 389892258 /nfs/dbraw/zinc/89/22/58/389892258.db2.gz LJXZAZIWQQDFIT-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454066 389892261 /nfs/dbraw/zinc/89/22/61/389892261.db2.gz LJXZAZIWQQDFIT-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433294193 389907610 /nfs/dbraw/zinc/90/76/10/389907610.db2.gz KGNVSUIGVIEBIJ-HZSPNIEDSA-N 1 2 283.416 0.938 20 30 CCEDLO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433294193 389907611 /nfs/dbraw/zinc/90/76/11/389907611.db2.gz KGNVSUIGVIEBIJ-HZSPNIEDSA-N 1 2 283.416 0.938 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000448566275 389987999 /nfs/dbraw/zinc/98/79/99/389987999.db2.gz OOCCRCPHJFYGMQ-UHFFFAOYSA-N 1 2 257.297 0.913 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000487451233 390086791 /nfs/dbraw/zinc/08/67/91/390086791.db2.gz XVYBCAMCIJVYOY-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000493132923 390119176 /nfs/dbraw/zinc/11/91/76/390119176.db2.gz RQABWMNAWJEWIG-PCAWENJQSA-N 1 2 295.364 0.625 20 30 CCEDLO C#CCN(CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000490877712 390108468 /nfs/dbraw/zinc/10/84/68/390108468.db2.gz YTVRDMQFCSWXGE-LBPRGKRZSA-N 1 2 267.354 0.005 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000491515690 390114291 /nfs/dbraw/zinc/11/42/91/390114291.db2.gz PCXLSPKYGSETQC-STQMWFEESA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000491515690 390114292 /nfs/dbraw/zinc/11/42/92/390114292.db2.gz PCXLSPKYGSETQC-STQMWFEESA-N 1 2 271.382 0.535 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)s1 ZINC000538045703 390188018 /nfs/dbraw/zinc/18/80/18/390188018.db2.gz SHCQDTYRIMVKKD-UHFFFAOYSA-N 1 2 291.384 0.918 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)s1 ZINC000538045703 390188020 /nfs/dbraw/zinc/18/80/20/390188020.db2.gz SHCQDTYRIMVKKD-UHFFFAOYSA-N 1 2 291.384 0.918 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2nc(C)[nH+]c(N(C)C)n2)C1=O ZINC000543771254 390294042 /nfs/dbraw/zinc/29/40/42/390294042.db2.gz HEJUBXDTIDKKJM-LLVKDONJSA-N 1 2 290.371 0.469 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2nc(N(C)C)nc(C)[nH+]2)C1=O ZINC000543771254 390294047 /nfs/dbraw/zinc/29/40/47/390294047.db2.gz HEJUBXDTIDKKJM-LLVKDONJSA-N 1 2 290.371 0.469 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000592522776 390363314 /nfs/dbraw/zinc/36/33/14/390363314.db2.gz RSRVTMOHFLVRNI-GFCCVEGCSA-N 1 2 265.338 0.697 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000592522776 390363318 /nfs/dbraw/zinc/36/33/18/390363318.db2.gz RSRVTMOHFLVRNI-GFCCVEGCSA-N 1 2 265.338 0.697 20 30 CCEDLO CC(C)c1nnc(CNC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000562989800 390492304 /nfs/dbraw/zinc/49/23/04/390492304.db2.gz SHPSTWIRCUBMMK-NSHDSACASA-N 1 2 297.428 0.957 20 30 CCEDLO CC(C)c1nnc(CNC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000562989800 390492306 /nfs/dbraw/zinc/49/23/06/390492306.db2.gz SHPSTWIRCUBMMK-NSHDSACASA-N 1 2 297.428 0.957 20 30 CCEDLO C=CCn1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)nn1 ZINC000516072092 390479382 /nfs/dbraw/zinc/47/93/82/390479382.db2.gz VVPWQVKMTIBCJO-LLVKDONJSA-N 1 2 274.328 0.928 20 30 CCEDLO Cc1cc(NCc2nnc3n2CCC3)c(C#N)c[nH+]1 ZINC000519639090 390521717 /nfs/dbraw/zinc/52/17/17/390521717.db2.gz IREVOKKMFFVZNU-UHFFFAOYSA-N 1 2 254.297 0.833 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000526057773 390674274 /nfs/dbraw/zinc/67/42/74/390674274.db2.gz CMBYIQGCDUBBQT-NEPJUHHUSA-N 1 2 290.367 0.244 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000526057773 390674279 /nfs/dbraw/zinc/67/42/79/390674279.db2.gz CMBYIQGCDUBBQT-NEPJUHHUSA-N 1 2 290.367 0.244 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)CCC1 ZINC000526135865 390680207 /nfs/dbraw/zinc/68/02/07/390680207.db2.gz LVSVZEGYGHIJGV-GFCCVEGCSA-N 1 2 290.367 0.246 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)CCC1 ZINC000526135865 390680209 /nfs/dbraw/zinc/68/02/09/390680209.db2.gz LVSVZEGYGHIJGV-GFCCVEGCSA-N 1 2 290.367 0.246 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000646626502 390701398 /nfs/dbraw/zinc/70/13/98/390701398.db2.gz GVHSMHDSXMBDDT-HUUCEWRRSA-N 1 2 290.363 0.723 20 30 CCEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000528615047 390762027 /nfs/dbraw/zinc/76/20/27/390762027.db2.gz ROKUINWAZBFKHB-NWDGAFQWSA-N 1 2 283.397 0.788 20 30 CCEDLO CCN1CCN(c2cnc(C#N)cn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480681 390876933 /nfs/dbraw/zinc/87/69/33/390876933.db2.gz GAVUJOCRVYIQHA-LBPRGKRZSA-N 1 2 283.339 0.955 20 30 CCEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ncc1C(N)=O ZINC000578365071 390880432 /nfs/dbraw/zinc/88/04/32/390880432.db2.gz VLOIZEFTHRXVEW-AWEZNQCLSA-N 1 2 289.339 0.063 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000078967039 397399350 /nfs/dbraw/zinc/39/93/50/397399350.db2.gz ULBTWGNKKBANGB-UHFFFAOYSA-N 1 2 276.315 0.565 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2[C@H](C)C2(F)F)c1C#N ZINC000545188849 285853253 /nfs/dbraw/zinc/85/32/53/285853253.db2.gz NCCSMAWRGOEIAU-OIBJUYFYSA-N 1 2 297.309 0.695 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000545239830 285856680 /nfs/dbraw/zinc/85/66/80/285856680.db2.gz NFRYCFFCRDFIAN-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1C#N ZINC000548174650 286014590 /nfs/dbraw/zinc/01/45/90/286014590.db2.gz CZPOFDXGKFSKRG-RYUDHWBXSA-N 1 2 290.319 0.272 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1C#N ZINC000548174650 286014591 /nfs/dbraw/zinc/01/45/91/286014591.db2.gz CZPOFDXGKFSKRG-RYUDHWBXSA-N 1 2 290.319 0.272 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246281317 287131513 /nfs/dbraw/zinc/13/15/13/287131513.db2.gz CJHXEGIHXFLAMW-GXFFZTMASA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246281317 287131514 /nfs/dbraw/zinc/13/15/14/287131514.db2.gz CJHXEGIHXFLAMW-GXFFZTMASA-N 1 2 259.309 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000652594594 412072050 /nfs/dbraw/zinc/07/20/50/412072050.db2.gz WAWFYLNIEABDFX-OLZOCXBDSA-N 1 2 295.383 0.494 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)nn1 ZINC000653637564 412327388 /nfs/dbraw/zinc/32/73/88/412327388.db2.gz OFERJSKRMBEVRC-WCQYABFASA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)nn1 ZINC000653637564 412327391 /nfs/dbraw/zinc/32/73/91/412327391.db2.gz OFERJSKRMBEVRC-WCQYABFASA-N 1 2 266.345 0.029 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000285664119 196359104 /nfs/dbraw/zinc/35/91/04/196359104.db2.gz MIVOOYHMSOLKEQ-DGCLKSJQSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1coc(S(N)(=O)=O)c1 ZINC000660403113 414296171 /nfs/dbraw/zinc/29/61/71/414296171.db2.gz OJVGTNLNRHELIE-UHFFFAOYSA-N 1 2 274.342 0.561 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1coc(S(N)(=O)=O)c1 ZINC000660403113 414296176 /nfs/dbraw/zinc/29/61/76/414296176.db2.gz OJVGTNLNRHELIE-UHFFFAOYSA-N 1 2 274.342 0.561 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660716259 414458555 /nfs/dbraw/zinc/45/85/55/414458555.db2.gz STZREGWRYDTNRI-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660716259 414458560 /nfs/dbraw/zinc/45/85/60/414458560.db2.gz STZREGWRYDTNRI-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCOCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000661068781 414549928 /nfs/dbraw/zinc/54/99/28/414549928.db2.gz DPPNADOZGSRQCS-UHFFFAOYSA-N 1 2 297.399 0.743 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](C)COC ZINC000663990460 415197914 /nfs/dbraw/zinc/19/79/14/415197914.db2.gz ICTRACFQVYMALR-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](C)COC ZINC000663990460 415197917 /nfs/dbraw/zinc/19/79/17/415197917.db2.gz ICTRACFQVYMALR-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664536066 415412221 /nfs/dbraw/zinc/41/22/21/415412221.db2.gz ULUNKUTYIYFDGS-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664536066 415412224 /nfs/dbraw/zinc/41/22/24/415412224.db2.gz ULUNKUTYIYFDGS-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664606274 415431833 /nfs/dbraw/zinc/43/18/33/415431833.db2.gz UVLPZEACXKWQMR-GRYCIOLGSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000664606274 415431838 /nfs/dbraw/zinc/43/18/38/415431838.db2.gz UVLPZEACXKWQMR-GRYCIOLGSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664621590 415437718 /nfs/dbraw/zinc/43/77/18/415437718.db2.gz QQKQFGCNDQEVIC-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664621590 415437728 /nfs/dbraw/zinc/43/77/28/415437728.db2.gz QQKQFGCNDQEVIC-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000071276195 176106675 /nfs/dbraw/zinc/10/66/75/176106675.db2.gz ZEEWHOJYYVPBJT-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000665633185 416469332 /nfs/dbraw/zinc/46/93/32/416469332.db2.gz VNAOITCNOLBAIJ-GFCCVEGCSA-N 1 2 250.298 0.471 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000665473721 416439408 /nfs/dbraw/zinc/43/94/08/416439408.db2.gz KKNWECJOLMTBGZ-LBPRGKRZSA-N 1 2 278.356 0.849 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COCCO1 ZINC000329121650 227311965 /nfs/dbraw/zinc/31/19/65/227311965.db2.gz WGCGMSSGJMATLA-GHMZBOCLSA-N 1 2 258.318 0.079 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1COCCO1 ZINC000329121650 227311970 /nfs/dbraw/zinc/31/19/70/227311970.db2.gz WGCGMSSGJMATLA-GHMZBOCLSA-N 1 2 258.318 0.079 20 30 CCEDLO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000330102974 228040170 /nfs/dbraw/zinc/04/01/70/228040170.db2.gz FZJQGZKZCZDDIL-SNVBAGLBSA-N 1 2 279.344 0.832 20 30 CCEDLO O=C(CCc1nc[nH]n1)NCC[NH+]1CCSCC1 ZINC000330240393 228077370 /nfs/dbraw/zinc/07/73/70/228077370.db2.gz IRLJMIVEVAKQMF-UHFFFAOYSA-N 1 2 269.374 0.743 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000053150244 544440874 /nfs/dbraw/zinc/44/08/74/544440874.db2.gz GMVRHHFWCFPAOY-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000053150244 544440876 /nfs/dbraw/zinc/44/08/76/544440876.db2.gz GMVRHHFWCFPAOY-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C[C@H](CNC(=O)c1csc(=O)[nH]1)[NH+]1CCOCC1 ZINC000329899042 545027131 /nfs/dbraw/zinc/02/71/31/545027131.db2.gz FFOOKWFOYJZMBL-MRVPVSSYSA-N 1 2 271.342 0.874 20 30 CCEDLO C=CCCCCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000353355807 545070901 /nfs/dbraw/zinc/07/09/01/545070901.db2.gz RLJPTNYYQGAFTQ-UHFFFAOYSA-N 1 2 299.415 0.679 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988106 260151624 /nfs/dbraw/zinc/15/16/24/260151624.db2.gz ABQBWYPDXPCJCL-TUAOUCFPSA-N 1 2 251.330 0.204 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000081283871 260332682 /nfs/dbraw/zinc/33/26/82/260332682.db2.gz RDUXJRQSSAGETO-RXMQYKEDSA-N 1 2 279.222 0.742 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000081283871 260332684 /nfs/dbraw/zinc/33/26/84/260332684.db2.gz RDUXJRQSSAGETO-RXMQYKEDSA-N 1 2 279.222 0.742 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000136068352 260923426 /nfs/dbraw/zinc/92/34/26/260923426.db2.gz BQKVZUBITJWGCH-UHFFFAOYSA-N 1 2 273.239 0.575 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000156791217 261132488 /nfs/dbraw/zinc/13/24/88/261132488.db2.gz VQIYERZDQBRNKQ-UHFFFAOYSA-N 1 2 290.367 0.638 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000156791217 261132491 /nfs/dbraw/zinc/13/24/91/261132491.db2.gz VQIYERZDQBRNKQ-UHFFFAOYSA-N 1 2 290.367 0.638 20 30 CCEDLO C=CCSCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105202824 261308578 /nfs/dbraw/zinc/30/85/78/261308578.db2.gz ZVXMWLSJLHEBRR-UHFFFAOYSA-N 1 2 287.429 0.879 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491780332 262039190 /nfs/dbraw/zinc/03/91/90/262039190.db2.gz KGULGDNJIFOULW-QWHCGFSZSA-N 1 2 266.389 0.285 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371824620 262181031 /nfs/dbraw/zinc/18/10/31/262181031.db2.gz XGHJWYDNMANVJS-ZFWWWQNUSA-N 1 2 294.399 0.057 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371824620 262181032 /nfs/dbraw/zinc/18/10/32/262181032.db2.gz XGHJWYDNMANVJS-ZFWWWQNUSA-N 1 2 294.399 0.057 20 30 CCEDLO CC#CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495582823 262280276 /nfs/dbraw/zinc/28/02/76/262280276.db2.gz DCXPZOCCHMPZAS-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO C=CC[N@@H+](CCOC)CC1(CS(C)(=O)=O)CC1 ZINC000336693010 262380268 /nfs/dbraw/zinc/38/02/68/262380268.db2.gz KLNKZLCRTACBNU-UHFFFAOYSA-N 1 2 261.387 0.946 20 30 CCEDLO C=CC[N@H+](CCOC)CC1(CS(C)(=O)=O)CC1 ZINC000336693010 262380269 /nfs/dbraw/zinc/38/02/69/262380269.db2.gz KLNKZLCRTACBNU-UHFFFAOYSA-N 1 2 261.387 0.946 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2C[C@@H](C)O)C1=O ZINC000337206838 262438267 /nfs/dbraw/zinc/43/82/67/262438267.db2.gz NIKITCDUKRTZSC-AGIUHOORSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2C[C@@H](C)O)C1=O ZINC000337206838 262438269 /nfs/dbraw/zinc/43/82/69/262438269.db2.gz NIKITCDUKRTZSC-AGIUHOORSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[S@@](=O)CC2)C1=O ZINC000337250980 262441136 /nfs/dbraw/zinc/44/11/36/262441136.db2.gz QYGJUVPXFWHTKH-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[S@@](=O)CC2)C1=O ZINC000337250980 262441138 /nfs/dbraw/zinc/44/11/38/262441138.db2.gz QYGJUVPXFWHTKH-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO COc1cc(NC(=O)CO[NH+]=C(N)CCO)cc(OC)c1 ZINC000274379282 263023754 /nfs/dbraw/zinc/02/37/54/263023754.db2.gz SDMYRSADVVTXCG-UHFFFAOYSA-N 1 2 297.311 0.314 20 30 CCEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cncc(F)c1 ZINC000281009457 263065691 /nfs/dbraw/zinc/06/56/91/263065691.db2.gz ODEFZCSTPKDJNF-UHFFFAOYSA-N 1 2 268.292 0.924 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000281942968 263073132 /nfs/dbraw/zinc/07/31/32/263073132.db2.gz WREVYIYPFZZVKN-UHFFFAOYSA-N 1 2 293.371 0.099 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000281942968 263073133 /nfs/dbraw/zinc/07/31/33/263073133.db2.gz WREVYIYPFZZVKN-UHFFFAOYSA-N 1 2 293.371 0.099 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000121278842 263291778 /nfs/dbraw/zinc/29/17/78/263291778.db2.gz XFONVCCVIJKNTI-UHFFFAOYSA-N 1 2 280.328 0.653 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000121278842 263291780 /nfs/dbraw/zinc/29/17/80/263291780.db2.gz XFONVCCVIJKNTI-UHFFFAOYSA-N 1 2 280.328 0.653 20 30 CCEDLO CCOCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341998598 263373650 /nfs/dbraw/zinc/37/36/50/263373650.db2.gz UNVCBWLFWDOJKW-UHFFFAOYSA-N 1 2 283.372 0.391 20 30 CCEDLO C=CCCOCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000342954997 263553887 /nfs/dbraw/zinc/55/38/87/263553887.db2.gz ZUFAYOHNZHHLMX-HNNXBMFYSA-N 1 2 295.427 0.865 20 30 CCEDLO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000330689531 264003996 /nfs/dbraw/zinc/00/39/96/264003996.db2.gz YAPIAJUQMYKQNQ-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000330689531 264003994 /nfs/dbraw/zinc/00/39/94/264003994.db2.gz YAPIAJUQMYKQNQ-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330695047 264004717 /nfs/dbraw/zinc/00/47/17/264004717.db2.gz IUBCTEQCYCUEHV-UHFFFAOYSA-N 1 2 282.388 0.366 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330695047 264004719 /nfs/dbraw/zinc/00/47/19/264004719.db2.gz IUBCTEQCYCUEHV-UHFFFAOYSA-N 1 2 282.388 0.366 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000330708937 264020049 /nfs/dbraw/zinc/02/00/49/264020049.db2.gz VXAXEPHYTFPVRP-SNVBAGLBSA-N 1 2 287.360 0.162 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000330708937 264020051 /nfs/dbraw/zinc/02/00/51/264020051.db2.gz VXAXEPHYTFPVRP-SNVBAGLBSA-N 1 2 287.360 0.162 20 30 CCEDLO CC(C)C[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330724159 264025927 /nfs/dbraw/zinc/02/59/27/264025927.db2.gz IYGFZJMSXHAMCZ-OLZOCXBDSA-N 1 2 286.420 0.143 20 30 CCEDLO CC(C)C[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330724159 264025929 /nfs/dbraw/zinc/02/59/29/264025929.db2.gz IYGFZJMSXHAMCZ-OLZOCXBDSA-N 1 2 286.420 0.143 20 30 CCEDLO CCC(O)(CC)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330757592 264030635 /nfs/dbraw/zinc/03/06/35/264030635.db2.gz ZSPKLRZLPWOGGZ-LBPRGKRZSA-N 1 2 286.420 0.287 20 30 CCEDLO CCC(O)(CC)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330757592 264030638 /nfs/dbraw/zinc/03/06/38/264030638.db2.gz ZSPKLRZLPWOGGZ-LBPRGKRZSA-N 1 2 286.420 0.287 20 30 CCEDLO COc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)on1 ZINC000330800878 264041594 /nfs/dbraw/zinc/04/15/94/264041594.db2.gz AFFLRFKEBVZDGL-CYBMUJFWSA-N 1 2 299.327 0.071 20 30 CCEDLO CC[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330804428 264043123 /nfs/dbraw/zinc/04/31/23/264043123.db2.gz GWAWYDLAYRQLOW-LBPRGKRZSA-N 1 2 295.387 0.762 20 30 CCEDLO C[C@]1(CCCO)CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000330874220 264060232 /nfs/dbraw/zinc/06/02/32/264060232.db2.gz IGCPUHZXGCXQCF-OAHLLOKOSA-N 1 2 299.415 0.860 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330854844 264069242 /nfs/dbraw/zinc/06/92/42/264069242.db2.gz HOAMJLCLLTXMEO-HIFRSBDPSA-N 1 2 282.384 0.637 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NCC[NH+]1CCOCC1 ZINC000331063849 264111363 /nfs/dbraw/zinc/11/13/63/264111363.db2.gz WBJAXZQBMUDJMN-UHFFFAOYSA-N 1 2 281.312 0.433 20 30 CCEDLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000331167434 264144771 /nfs/dbraw/zinc/14/47/71/264144771.db2.gz UDVCGLSVFRYCHF-ZDUSSCGKSA-N 1 2 264.325 0.814 20 30 CCEDLO CNC(=O)c1cccc(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000331167434 264144774 /nfs/dbraw/zinc/14/47/74/264144774.db2.gz UDVCGLSVFRYCHF-ZDUSSCGKSA-N 1 2 264.325 0.814 20 30 CCEDLO CC(C)n1cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000331241368 264176967 /nfs/dbraw/zinc/17/69/67/264176967.db2.gz NBQATCQOZMMVBK-CYBMUJFWSA-N 1 2 296.371 0.462 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C1CC1 ZINC000073787335 264298609 /nfs/dbraw/zinc/29/86/09/264298609.db2.gz UVAVYNCTEXVDPY-UHFFFAOYSA-N 1 2 251.330 0.055 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000132019906 264378797 /nfs/dbraw/zinc/37/87/97/264378797.db2.gz UCRFRPMOESXSGH-NEPJUHHUSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000132019906 264378800 /nfs/dbraw/zinc/37/88/00/264378800.db2.gz UCRFRPMOESXSGH-NEPJUHHUSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101553720 264620799 /nfs/dbraw/zinc/62/07/99/264620799.db2.gz VKZZPSBOQGHGRI-LBPRGKRZSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101553720 264620800 /nfs/dbraw/zinc/62/08/00/264620800.db2.gz VKZZPSBOQGHGRI-LBPRGKRZSA-N 1 2 267.373 0.525 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000185161549 265003637 /nfs/dbraw/zinc/00/36/37/265003637.db2.gz PWGHNMNJOHHNDQ-HUUCEWRRSA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000185161549 265003639 /nfs/dbraw/zinc/00/36/39/265003639.db2.gz PWGHNMNJOHHNDQ-HUUCEWRRSA-N 1 2 293.367 0.286 20 30 CCEDLO C=CC[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361564873 266848930 /nfs/dbraw/zinc/84/89/30/266848930.db2.gz NEXNDCIXQBAUAZ-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C[C@@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000362664326 267031687 /nfs/dbraw/zinc/03/16/87/267031687.db2.gz ILDJEOLFQOFFRK-GFCCVEGCSA-N 1 2 293.371 0.911 20 30 CCEDLO Cc1cc(N[C@H]2CCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000400240617 267301649 /nfs/dbraw/zinc/30/16/49/267301649.db2.gz GDWMBSPOIPBTSH-NSHDSACASA-N 1 2 280.353 0.129 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370557754 267328244 /nfs/dbraw/zinc/32/82/44/267328244.db2.gz LUXLKTAKTVSEFS-OLZOCXBDSA-N 1 2 293.367 0.712 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370557754 267328246 /nfs/dbraw/zinc/32/82/46/267328246.db2.gz LUXLKTAKTVSEFS-OLZOCXBDSA-N 1 2 293.367 0.712 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1=O ZINC000377110970 268048954 /nfs/dbraw/zinc/04/89/54/268048954.db2.gz FNSSGUPOIGSGBP-MELADBBJSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1=O ZINC000377110970 268048957 /nfs/dbraw/zinc/04/89/57/268048957.db2.gz FNSSGUPOIGSGBP-MELADBBJSA-N 1 2 280.368 0.653 20 30 CCEDLO COCC[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296630108 277527327 /nfs/dbraw/zinc/52/73/27/277527327.db2.gz VOUFMNVVZKLGNZ-UHFFFAOYSA-N 1 2 291.311 0.630 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000329612331 294481250 /nfs/dbraw/zinc/48/12/50/294481250.db2.gz OJMWJPKSYLEFSE-AWEZNQCLSA-N 1 2 294.355 0.716 20 30 CCEDLO N#C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000332683490 327644135 /nfs/dbraw/zinc/64/41/35/327644135.db2.gz LGELVMIWKIUOKW-NEPJUHHUSA-N 1 2 289.339 0.694 20 30 CCEDLO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)cn1 ZINC000571560910 328134086 /nfs/dbraw/zinc/13/40/86/328134086.db2.gz IIECYADOFFXPSR-DGCLKSJQSA-N 1 2 286.339 0.559 20 30 CCEDLO C=C(C)COCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413213214 328142680 /nfs/dbraw/zinc/14/26/80/328142680.db2.gz YFLQOYQICACSAY-NSHDSACASA-N 1 2 266.345 0.696 20 30 CCEDLO C=C(C)COCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413213214 328142681 /nfs/dbraw/zinc/14/26/81/328142681.db2.gz YFLQOYQICACSAY-NSHDSACASA-N 1 2 266.345 0.696 20 30 CCEDLO Cc1cn2cc(NC(=O)C(=O)N[C@H](C)CC#N)ccc2[nH+]1 ZINC000275819001 328216500 /nfs/dbraw/zinc/21/65/00/328216500.db2.gz FMJMHOOZBTUHGD-SECBINFHSA-N 1 2 285.307 1.000 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000076185774 328485761 /nfs/dbraw/zinc/48/57/61/328485761.db2.gz ZUAIBUYGGGWRSR-UHFFFAOYSA-N 1 2 290.363 0.357 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000130156699 328486895 /nfs/dbraw/zinc/48/68/95/328486895.db2.gz IJRQQHWPZRIHKU-ZDUSSCGKSA-N 1 2 290.429 0.839 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(C)=O ZINC000569337789 327034152 /nfs/dbraw/zinc/03/41/52/327034152.db2.gz ULMAIGJFEILTCA-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000569337789 327034154 /nfs/dbraw/zinc/03/41/54/327034154.db2.gz ULMAIGJFEILTCA-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO N#CC1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000558630030 327111127 /nfs/dbraw/zinc/11/11/27/327111127.db2.gz ANYHHGWUIYIBTN-SECBINFHSA-N 1 2 259.313 0.870 20 30 CCEDLO N#CC1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000558630030 327111128 /nfs/dbraw/zinc/11/11/28/327111128.db2.gz ANYHHGWUIYIBTN-SECBINFHSA-N 1 2 259.313 0.870 20 30 CCEDLO Cc1cccc(CC[NH+]2CCN(C(=O)CC#N)CC2)n1 ZINC000573264320 327130177 /nfs/dbraw/zinc/13/01/77/327130177.db2.gz ZZPNXCRALWRHFH-UHFFFAOYSA-N 1 2 272.352 0.990 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000569549338 327197086 /nfs/dbraw/zinc/19/70/86/327197086.db2.gz IDBSVWTYPBPHII-KBPBESRZSA-N 1 2 297.399 0.599 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000562244260 327459504 /nfs/dbraw/zinc/45/95/04/327459504.db2.gz TZSJAYYLRCTJOY-CQSZACIVSA-N 1 2 288.355 0.734 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172100841 329081178 /nfs/dbraw/zinc/08/11/78/329081178.db2.gz FOOWRWLBYKCXBS-STQMWFEESA-N 1 2 251.330 0.903 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100841 329081180 /nfs/dbraw/zinc/08/11/80/329081180.db2.gz FOOWRWLBYKCXBS-STQMWFEESA-N 1 2 251.330 0.903 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178730271 329200334 /nfs/dbraw/zinc/20/03/34/329200334.db2.gz BMMHJJPGPSJDKK-STQMWFEESA-N 1 2 267.373 0.084 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000185420825 329273379 /nfs/dbraw/zinc/27/33/79/329273379.db2.gz ACGKSGRQTBJNHL-AWEZNQCLSA-N 1 2 265.401 0.932 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186639419 329347083 /nfs/dbraw/zinc/34/70/83/329347083.db2.gz ZPUOIFGNYZDCON-CQSZACIVSA-N 1 2 279.340 0.530 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186639419 329347084 /nfs/dbraw/zinc/34/70/84/329347084.db2.gz ZPUOIFGNYZDCON-CQSZACIVSA-N 1 2 279.340 0.530 20 30 CCEDLO C[C@@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187353169 329355572 /nfs/dbraw/zinc/35/55/72/329355572.db2.gz JRQHXSHHPHNDEC-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187353169 329355573 /nfs/dbraw/zinc/35/55/73/329355573.db2.gz JRQHXSHHPHNDEC-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000188657851 329371782 /nfs/dbraw/zinc/37/17/82/329371782.db2.gz UWIOGFWRXAGUKY-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CCC1 ZINC000419421633 329727327 /nfs/dbraw/zinc/72/73/27/329727327.db2.gz LSDOZZSEWIRIJO-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(C#N)CCC1 ZINC000419632206 329744227 /nfs/dbraw/zinc/74/42/27/329744227.db2.gz WWBXVRLIUHBRAS-UHFFFAOYSA-N 1 2 280.372 0.654 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2cccnc2)nn1 ZINC000572165251 329950968 /nfs/dbraw/zinc/95/09/68/329950968.db2.gz OWCZLDXDKLEVDL-CQSZACIVSA-N 1 2 299.338 0.236 20 30 CCEDLO C=CCCn1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000424529131 330366926 /nfs/dbraw/zinc/36/69/26/330366926.db2.gz RJIUKZLNFOISSY-UHFFFAOYSA-N 1 2 274.328 0.871 20 30 CCEDLO C#CC[N@@H+](CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000119076312 330369993 /nfs/dbraw/zinc/36/99/93/330369993.db2.gz QIHOVNONAWZOPP-ZDUSSCGKSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000119076312 330369994 /nfs/dbraw/zinc/36/99/94/330369994.db2.gz QIHOVNONAWZOPP-ZDUSSCGKSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120457871 330388081 /nfs/dbraw/zinc/38/80/81/330388081.db2.gz CFYHWRHOHWVWDV-NWDGAFQWSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120457871 330388082 /nfs/dbraw/zinc/38/80/82/330388082.db2.gz CFYHWRHOHWVWDV-NWDGAFQWSA-N 1 2 285.365 0.062 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434462922 330639351 /nfs/dbraw/zinc/63/93/51/330639351.db2.gz KDOLPQOHIVJNFQ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C(C)(C)C(N)=O ZINC000451144015 331017320 /nfs/dbraw/zinc/01/73/20/331017320.db2.gz ZMQUTVJLXALIBF-UHFFFAOYSA-N 1 2 280.372 0.525 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C(C)(C)C(N)=O ZINC000451144015 331017321 /nfs/dbraw/zinc/01/73/21/331017321.db2.gz ZMQUTVJLXALIBF-UHFFFAOYSA-N 1 2 280.372 0.525 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458273557 331247077 /nfs/dbraw/zinc/24/70/77/331247077.db2.gz ISVPLRKPZDKLHB-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458273557 331247078 /nfs/dbraw/zinc/24/70/78/331247078.db2.gz ISVPLRKPZDKLHB-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO N#CCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458650652 331255708 /nfs/dbraw/zinc/25/57/08/331255708.db2.gz MOCUAOHPZDFIPB-TXEJJXNPSA-N 1 2 266.345 0.453 20 30 CCEDLO N#CCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458650652 331255709 /nfs/dbraw/zinc/25/57/09/331255709.db2.gz MOCUAOHPZDFIPB-TXEJJXNPSA-N 1 2 266.345 0.453 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000489435642 332052157 /nfs/dbraw/zinc/05/21/57/332052157.db2.gz JNTXEPMDSFMIDD-ZDUSSCGKSA-N 1 2 288.413 0.735 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000489435642 332052158 /nfs/dbraw/zinc/05/21/58/332052158.db2.gz JNTXEPMDSFMIDD-ZDUSSCGKSA-N 1 2 288.413 0.735 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@](C)(COC)CC2=O)CC1 ZINC000490742139 332111763 /nfs/dbraw/zinc/11/17/63/332111763.db2.gz VLSGFDRASSPMKJ-HNNXBMFYSA-N 1 2 279.384 0.080 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1cnn(C)c1 ZINC000490851850 332120526 /nfs/dbraw/zinc/12/05/26/332120526.db2.gz IKHXXTGANHSCMO-UHFFFAOYSA-N 1 2 272.352 0.337 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1cnn(C)c1 ZINC000490851850 332120528 /nfs/dbraw/zinc/12/05/28/332120528.db2.gz IKHXXTGANHSCMO-UHFFFAOYSA-N 1 2 272.352 0.337 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)OC2CCOCC2)CC1 ZINC000491072407 332147031 /nfs/dbraw/zinc/14/70/31/332147031.db2.gz SAARGGCPCMSCNT-UHFFFAOYSA-N 1 2 252.314 0.553 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)Cc2c[nH+]cn2C)n1 ZINC000491264424 332176574 /nfs/dbraw/zinc/17/65/74/332176574.db2.gz GOIWMTOOEJLIHV-UHFFFAOYSA-N 1 2 285.351 0.841 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@](C)(O)C(C)=O)n1 ZINC000491546100 332235268 /nfs/dbraw/zinc/23/52/68/332235268.db2.gz UMZFSJSRVXJBDV-OAHLLOKOSA-N 1 2 293.367 0.305 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@](C)(O)C(C)=O)n1 ZINC000491546100 332235269 /nfs/dbraw/zinc/23/52/69/332235269.db2.gz UMZFSJSRVXJBDV-OAHLLOKOSA-N 1 2 293.367 0.305 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2c(CC)csc2=O)CC1 ZINC000491659951 332270408 /nfs/dbraw/zinc/27/04/08/332270408.db2.gz XNQTXDSGSYNESH-UHFFFAOYSA-N 1 2 293.392 0.250 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000491702119 332296499 /nfs/dbraw/zinc/29/64/99/332296499.db2.gz QNHWPHRKDNOWOG-UHFFFAOYSA-N 1 2 280.368 0.647 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000491739898 332319165 /nfs/dbraw/zinc/31/91/65/332319165.db2.gz UKJFSMXLRBAOBO-JKSUJKDBSA-N 1 2 275.348 0.898 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000491739898 332319166 /nfs/dbraw/zinc/31/91/66/332319166.db2.gz UKJFSMXLRBAOBO-JKSUJKDBSA-N 1 2 275.348 0.898 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491741417 332320194 /nfs/dbraw/zinc/32/01/94/332320194.db2.gz FRTKWVDKUBNPPB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000491752119 332328161 /nfs/dbraw/zinc/32/81/61/332328161.db2.gz ZASHFGQFEUTYIK-SECBINFHSA-N 1 2 251.286 0.098 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000491752119 332328163 /nfs/dbraw/zinc/32/81/63/332328163.db2.gz ZASHFGQFEUTYIK-SECBINFHSA-N 1 2 251.286 0.098 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491754437 332329506 /nfs/dbraw/zinc/32/95/06/332329506.db2.gz STGCORCFIAVZPI-OAHLLOKOSA-N 1 2 290.411 0.290 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000491763396 332332194 /nfs/dbraw/zinc/33/21/94/332332194.db2.gz AISBOWRBLRTQKY-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000491763396 332332196 /nfs/dbraw/zinc/33/21/96/332332196.db2.gz AISBOWRBLRTQKY-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000491767097 332335129 /nfs/dbraw/zinc/33/51/29/332335129.db2.gz GENBRIAFCOTCCA-STQMWFEESA-N 1 2 281.377 0.960 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000491767097 332335130 /nfs/dbraw/zinc/33/51/30/332335130.db2.gz GENBRIAFCOTCCA-STQMWFEESA-N 1 2 281.377 0.960 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cnccn1 ZINC000493809285 332454942 /nfs/dbraw/zinc/45/49/42/332454942.db2.gz HFXGNXPCGJATNW-DSYXLKISSA-N 1 2 259.313 0.450 20 30 CCEDLO CC(C)OC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000177028372 333052477 /nfs/dbraw/zinc/05/24/77/333052477.db2.gz PHKSCQOPNNVEAP-HNNXBMFYSA-N 1 2 299.415 0.320 20 30 CCEDLO CC(C)OC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000177028372 333052478 /nfs/dbraw/zinc/05/24/78/333052478.db2.gz PHKSCQOPNNVEAP-HNNXBMFYSA-N 1 2 299.415 0.320 20 30 CCEDLO CC(C)OC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000177028372 333052480 /nfs/dbraw/zinc/05/24/80/333052480.db2.gz PHKSCQOPNNVEAP-HNNXBMFYSA-N 1 2 299.415 0.320 20 30 CCEDLO COC[C@H](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000517153418 333093309 /nfs/dbraw/zinc/09/33/09/333093309.db2.gz DADSVHKIHIKYDF-LOWVWBTDSA-N 1 2 255.362 0.865 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1cn(-c2ccccc2)nn1 ZINC000185464468 333141207 /nfs/dbraw/zinc/14/12/07/333141207.db2.gz AHMNGGCFERQMHH-NSHDSACASA-N 1 2 284.323 0.558 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000192228470 333233078 /nfs/dbraw/zinc/23/30/78/333233078.db2.gz DBXWZXKPZUZFRG-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000192228470 333233079 /nfs/dbraw/zinc/23/30/79/333233079.db2.gz DBXWZXKPZUZFRG-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO N#CCC[N@@H+](CC(=O)NC(=O)NC1CC1)CC1CC1 ZINC000081044184 334177088 /nfs/dbraw/zinc/17/70/88/334177088.db2.gz WOURPPDCUASOOG-UHFFFAOYSA-N 1 2 264.329 0.600 20 30 CCEDLO N#CCC[N@H+](CC(=O)NC(=O)NC1CC1)CC1CC1 ZINC000081044184 334177089 /nfs/dbraw/zinc/17/70/89/334177089.db2.gz WOURPPDCUASOOG-UHFFFAOYSA-N 1 2 264.329 0.600 20 30 CCEDLO N#CCCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247972888 334292598 /nfs/dbraw/zinc/29/25/98/334292598.db2.gz JURXQKVKROJBHO-STQMWFEESA-N 1 2 286.397 0.958 20 30 CCEDLO N#CCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247972888 334292599 /nfs/dbraw/zinc/29/25/99/334292599.db2.gz JURXQKVKROJBHO-STQMWFEESA-N 1 2 286.397 0.958 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncn(C(C)(C)C)n1 ZINC000567995252 334782569 /nfs/dbraw/zinc/78/25/69/334782569.db2.gz FXRMKLCGAWJRPG-CYBMUJFWSA-N 1 2 278.360 0.607 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H]2CCO[C@@H]2C)CC1 ZINC000163789543 334872653 /nfs/dbraw/zinc/87/26/53/334872653.db2.gz CDHDHOMXEZVCJY-CHWSQXEVSA-N 1 2 282.409 0.674 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000580554194 335279252 /nfs/dbraw/zinc/27/92/52/335279252.db2.gz QOWMFHCHSBAQNZ-UBHSHLNASA-N 1 2 292.383 0.730 20 30 CCEDLO Cc1cc(NCc2nnnn2CC2CC2)c(C#N)c[nH+]1 ZINC000581187202 336021050 /nfs/dbraw/zinc/02/10/50/336021050.db2.gz LHLBJXBTIXAHHD-UHFFFAOYSA-N 1 2 269.312 0.692 20 30 CCEDLO Cc1cc(NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)c[nH+]1 ZINC000425246909 534033987 /nfs/dbraw/zinc/03/39/87/534033987.db2.gz MSCPNYRDSZRANT-GXTWGEPZSA-N 1 2 288.351 0.731 20 30 CCEDLO N#Cc1c2c(cnc1NCCC[N@@H+]1CCNC(=O)C1)CCC2 ZINC000425250570 534767584 /nfs/dbraw/zinc/76/75/84/534767584.db2.gz WHCHIKNEJHRVDR-UHFFFAOYSA-N 1 2 299.378 0.098 20 30 CCEDLO N#Cc1c2c(cnc1NCCC[N@H+]1CCNC(=O)C1)CCC2 ZINC000425250570 534767589 /nfs/dbraw/zinc/76/75/89/534767589.db2.gz WHCHIKNEJHRVDR-UHFFFAOYSA-N 1 2 299.378 0.098 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353270508 526630638 /nfs/dbraw/zinc/63/06/38/526630638.db2.gz FKVNTIXIKUYVKI-NSHDSACASA-N 1 2 295.408 0.987 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353270508 526630646 /nfs/dbraw/zinc/63/06/46/526630646.db2.gz FKVNTIXIKUYVKI-NSHDSACASA-N 1 2 295.408 0.987 20 30 CCEDLO N#Cc1ncn(-c2ccccc2NC(=O)Cn2cc[nH+]c2)n1 ZINC000366542406 526796737 /nfs/dbraw/zinc/79/67/37/526796737.db2.gz COLVMRHLDQPQHZ-UHFFFAOYSA-N 1 2 293.290 0.974 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000329047313 527870802 /nfs/dbraw/zinc/87/08/02/527870802.db2.gz GDMUTTRBRGSYLK-LLVKDONJSA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000329047313 527870808 /nfs/dbraw/zinc/87/08/08/527870808.db2.gz GDMUTTRBRGSYLK-LLVKDONJSA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796532 528718371 /nfs/dbraw/zinc/71/83/71/528718371.db2.gz WECPQPZFGRYGQG-ZJUUUORDSA-N 1 2 266.345 0.845 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796532 528718377 /nfs/dbraw/zinc/71/83/77/528718377.db2.gz WECPQPZFGRYGQG-ZJUUUORDSA-N 1 2 266.345 0.845 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673283426 545282182 /nfs/dbraw/zinc/28/21/82/545282182.db2.gz IFYUPWFYYBBBKV-AWEZNQCLSA-N 1 2 287.363 0.934 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673283426 545282183 /nfs/dbraw/zinc/28/21/83/545282183.db2.gz IFYUPWFYYBBBKV-AWEZNQCLSA-N 1 2 287.363 0.934 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC(C)(C)C#N ZINC000353164710 529126779 /nfs/dbraw/zinc/12/67/79/529126779.db2.gz QYROHQPVZGTLLI-UHFFFAOYSA-N 1 2 282.388 0.451 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC(C)(C)C#N ZINC000353164710 529126782 /nfs/dbraw/zinc/12/67/82/529126782.db2.gz QYROHQPVZGTLLI-UHFFFAOYSA-N 1 2 282.388 0.451 20 30 CCEDLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000347990149 529219161 /nfs/dbraw/zinc/21/91/61/529219161.db2.gz ANYKEQWFOGNKLH-WCQYABFASA-N 1 2 283.372 0.926 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000677818966 545373443 /nfs/dbraw/zinc/37/34/43/545373443.db2.gz MKAYECNIPUZYPR-OLZOCXBDSA-N 1 2 273.398 0.924 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000677818966 545373444 /nfs/dbraw/zinc/37/34/44/545373444.db2.gz MKAYECNIPUZYPR-OLZOCXBDSA-N 1 2 273.398 0.924 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961736147 649880961 /nfs/dbraw/zinc/88/09/61/649880961.db2.gz INMXPGFJFSTSHI-MEWQQHAOSA-N 1 2 285.351 0.400 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000791304168 581213295 /nfs/dbraw/zinc/21/32/95/581213295.db2.gz CLYVKGDYSVWKSR-UHFFFAOYSA-N 1 2 261.325 0.274 20 30 CCEDLO CN(C)c1noc(CNCc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000789554869 581151257 /nfs/dbraw/zinc/15/12/57/581151257.db2.gz NMJXOHGQYSSDKL-UHFFFAOYSA-N 1 2 297.322 0.945 20 30 CCEDLO CN(C)c1noc(C[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000789554869 581151258 /nfs/dbraw/zinc/15/12/58/581151258.db2.gz NMJXOHGQYSSDKL-UHFFFAOYSA-N 1 2 297.322 0.945 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000779340727 581181532 /nfs/dbraw/zinc/18/15/32/581181532.db2.gz KXUOCVAHUINAKM-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000779340727 581181533 /nfs/dbraw/zinc/18/15/33/581181533.db2.gz KXUOCVAHUINAKM-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000779382126 581183292 /nfs/dbraw/zinc/18/32/92/581183292.db2.gz YLXDYVDQBLDKFB-UHFFFAOYSA-N 1 2 268.320 0.954 20 30 CCEDLO COc1cc(C=NNC2=[NH+]C[C@H](C)N2)c([N+](=O)[O-])cc1O ZINC000779791924 581205280 /nfs/dbraw/zinc/20/52/80/581205280.db2.gz NOLIXJBZEHBJLQ-ZETCQYMHSA-N 1 2 293.283 0.580 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000779941854 581214620 /nfs/dbraw/zinc/21/46/20/581214620.db2.gz COSWGWDTGWUERP-CQSZACIVSA-N 1 2 263.385 0.686 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000780831240 581245953 /nfs/dbraw/zinc/24/59/53/581245953.db2.gz YNIQTJVODLNNHQ-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000780831240 581245954 /nfs/dbraw/zinc/24/59/54/581245954.db2.gz YNIQTJVODLNNHQ-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000780848582 581246265 /nfs/dbraw/zinc/24/62/65/581246265.db2.gz PPKXRPAYBDFSAU-CQSZACIVSA-N 1 2 289.335 0.040 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000780848581 581246319 /nfs/dbraw/zinc/24/63/19/581246319.db2.gz PPKXRPAYBDFSAU-AWEZNQCLSA-N 1 2 289.335 0.040 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C=O)CC2)cc1 ZINC000781554408 581271363 /nfs/dbraw/zinc/27/13/63/581271363.db2.gz OQYULOIQHGSPTF-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000781554408 581271364 /nfs/dbraw/zinc/27/13/64/581271364.db2.gz OQYULOIQHGSPTF-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781560858 581272016 /nfs/dbraw/zinc/27/20/16/581272016.db2.gz IIADWZLIYNGJAY-HIFRSBDPSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781560858 581272018 /nfs/dbraw/zinc/27/20/18/581272018.db2.gz IIADWZLIYNGJAY-HIFRSBDPSA-N 1 2 294.399 0.593 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000793008341 581280154 /nfs/dbraw/zinc/28/01/54/581280154.db2.gz LZPXJFYAGWCEAW-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000793008341 581280156 /nfs/dbraw/zinc/28/01/56/581280156.db2.gz LZPXJFYAGWCEAW-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000782278085 581295247 /nfs/dbraw/zinc/29/52/47/581295247.db2.gz SXJMXVVTJZJGFQ-NSHDSACASA-N 1 2 279.340 0.591 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC000793493371 581300621 /nfs/dbraw/zinc/30/06/21/581300621.db2.gz NOUNFNFNVQPJJU-NSHDSACASA-N 1 2 291.317 0.646 20 30 CCEDLO NC(=[NH+]OCc1nc(N)nc(N)n1)c1ccc(F)cc1 ZINC000727488435 581320892 /nfs/dbraw/zinc/32/08/92/581320892.db2.gz RFUMRWMEJRQMMY-UHFFFAOYSA-N 1 2 277.263 0.012 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3CCOCC3)n2C)CC1 ZINC000794676513 581383314 /nfs/dbraw/zinc/38/33/14/581383314.db2.gz LFDQFVHAFCDCTF-UHFFFAOYSA-N 1 2 289.383 0.464 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1oncc1C(=O)OC)[C@@H]1CCCO1 ZINC000796013507 581429929 /nfs/dbraw/zinc/42/99/29/581429929.db2.gz ZTGRPCPTVAAPIP-MNOVXSKESA-N 1 2 264.281 0.732 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@](F)(C#N)C2)C1 ZINC000786108398 581431272 /nfs/dbraw/zinc/43/12/72/581431272.db2.gz QJLKDMBVYYWXCK-FZMZJTMJSA-N 1 2 291.330 0.631 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000786973600 581455017 /nfs/dbraw/zinc/45/50/17/581455017.db2.gz RCOZHQYASJWAQU-STQMWFEESA-N 1 2 277.368 0.056 20 30 CCEDLO C#CCn1cc(CNc2nc(N(C)C)nc(C)[nH+]2)cn1 ZINC000787888132 581480425 /nfs/dbraw/zinc/48/04/25/581480425.db2.gz UFCIIKZABMEKSQ-UHFFFAOYSA-N 1 2 271.328 0.688 20 30 CCEDLO C#CCn1cc(CNc2nc(C)[nH+]c(N(C)C)n2)cn1 ZINC000787888132 581480426 /nfs/dbraw/zinc/48/04/26/581480426.db2.gz UFCIIKZABMEKSQ-UHFFFAOYSA-N 1 2 271.328 0.688 20 30 CCEDLO Cn1c[nH+]cc1C=NNCCOCC(F)(F)F ZINC000765605930 581530101 /nfs/dbraw/zinc/53/01/01/581530101.db2.gz YSOKGROBMUTORT-UHFFFAOYSA-N 1 2 250.224 0.923 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000766268510 581560607 /nfs/dbraw/zinc/56/06/07/581560607.db2.gz KJDAVDXUIMVJJF-NSHDSACASA-N 1 2 273.327 0.397 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000766268510 581560609 /nfs/dbraw/zinc/56/06/09/581560609.db2.gz KJDAVDXUIMVJJF-NSHDSACASA-N 1 2 273.327 0.397 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000735185343 581629650 /nfs/dbraw/zinc/62/96/50/581629650.db2.gz KQBDBLHZLBMXPU-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000735185343 581629651 /nfs/dbraw/zinc/62/96/51/581629651.db2.gz KQBDBLHZLBMXPU-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000735185342 581629692 /nfs/dbraw/zinc/62/96/92/581629692.db2.gz KQBDBLHZLBMXPU-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000735185342 581629693 /nfs/dbraw/zinc/62/96/93/581629693.db2.gz KQBDBLHZLBMXPU-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756609511 581672615 /nfs/dbraw/zinc/67/26/15/581672615.db2.gz MGXGNQDFYLRIAE-UHFFFAOYSA-N 1 2 295.383 0.677 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756609511 581672616 /nfs/dbraw/zinc/67/26/16/581672616.db2.gz MGXGNQDFYLRIAE-UHFFFAOYSA-N 1 2 295.383 0.677 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1COC1 ZINC000769693183 581701631 /nfs/dbraw/zinc/70/16/31/581701631.db2.gz YWRCCNKOWXTJSV-UHFFFAOYSA-N 1 2 281.356 0.097 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000761044514 581708029 /nfs/dbraw/zinc/70/80/29/581708029.db2.gz FCUDXVFDEKRTIN-UHFFFAOYSA-N 1 2 276.315 0.092 20 30 CCEDLO CNc1[nH+]c(C)ccc1C(=O)OCC(=O)NCC#N ZINC000731241021 581759276 /nfs/dbraw/zinc/75/92/76/581759276.db2.gz CFGCPJZSZISTAI-UHFFFAOYSA-N 1 2 262.269 0.228 20 30 CCEDLO CC(=[NH+]NCC(N)=O)c1c(F)cccc1N1CCOCC1 ZINC000758903542 581775523 /nfs/dbraw/zinc/77/55/23/581775523.db2.gz HKVLSBAUNJUPMF-UHFFFAOYSA-N 1 2 294.330 0.461 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@H]1CCCO1 ZINC000759439306 581799090 /nfs/dbraw/zinc/79/90/90/581799090.db2.gz ZWWMQQBSJJLOIL-DTWKUNHWSA-N 1 2 289.261 0.506 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)(CC)CC ZINC000743712950 581823832 /nfs/dbraw/zinc/82/38/32/581823832.db2.gz DZAISQWTTXJRLL-LBPRGKRZSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)(CC)CC ZINC000743712950 581823834 /nfs/dbraw/zinc/82/38/34/581823834.db2.gz DZAISQWTTXJRLL-LBPRGKRZSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/CCC)CC1 ZINC000733150479 581868317 /nfs/dbraw/zinc/86/83/17/581868317.db2.gz KSOGDPPULPEFDJ-SOFGYWHQSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/CCC)CC1 ZINC000733150479 581868321 /nfs/dbraw/zinc/86/83/21/581868321.db2.gz KSOGDPPULPEFDJ-SOFGYWHQSA-N 1 2 291.395 0.626 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000773187682 581913619 /nfs/dbraw/zinc/91/36/19/581913619.db2.gz USKMNQVLFJPLPS-IHRRRGAJSA-N 1 2 295.383 0.187 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000749246996 582000850 /nfs/dbraw/zinc/00/08/50/582000850.db2.gz LSZOYFGFVLXSDG-GXTWGEPZSA-N 1 2 299.378 0.644 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000749247006 582001211 /nfs/dbraw/zinc/00/12/11/582001211.db2.gz LSZOYFGFVLXSDG-TZMCWYRMSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)c(C)nn2)CC1 ZINC000749874772 582025863 /nfs/dbraw/zinc/02/58/63/582025863.db2.gz YBIVFHDGWKBAKH-UHFFFAOYSA-N 1 2 288.351 0.250 20 30 CCEDLO COc1ccc(C[N@H+](C)CC(=O)NCCC#N)cc1O ZINC000750046359 582031398 /nfs/dbraw/zinc/03/13/98/582031398.db2.gz ZEWJFMIDDFFANE-UHFFFAOYSA-N 1 2 277.324 0.862 20 30 CCEDLO COc1ccc(C[N@@H+](C)CC(=O)NCCC#N)cc1O ZINC000750046359 582031401 /nfs/dbraw/zinc/03/14/01/582031401.db2.gz ZEWJFMIDDFFANE-UHFFFAOYSA-N 1 2 277.324 0.862 20 30 CCEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(N)(=O)=O)cn1 ZINC000764683552 582062539 /nfs/dbraw/zinc/06/25/39/582062539.db2.gz KZCZUXFXRWAYOI-UHFFFAOYSA-N 1 2 292.324 0.152 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000765108937 582089988 /nfs/dbraw/zinc/08/99/88/582089988.db2.gz GIDDFBHMGJXASF-RYUDHWBXSA-N 1 2 288.355 0.003 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000765108937 582089991 /nfs/dbraw/zinc/08/99/91/582089991.db2.gz GIDDFBHMGJXASF-RYUDHWBXSA-N 1 2 288.355 0.003 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000752000606 582098488 /nfs/dbraw/zinc/09/84/88/582098488.db2.gz MATZMPBEEPCQBF-HXUWFJFHSA-N 1 2 294.380 0.023 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncccc1F ZINC000752175172 582102044 /nfs/dbraw/zinc/10/20/44/582102044.db2.gz HQCHNOOUUJSGPD-ZDUSSCGKSA-N 1 2 261.300 0.935 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncccc1F ZINC000752175172 582102045 /nfs/dbraw/zinc/10/20/45/582102045.db2.gz HQCHNOOUUJSGPD-ZDUSSCGKSA-N 1 2 261.300 0.935 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000853800221 612981838 /nfs/dbraw/zinc/98/18/38/612981838.db2.gz UDTZBWSEAWUPAL-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000853800221 612981840 /nfs/dbraw/zinc/98/18/40/612981840.db2.gz UDTZBWSEAWUPAL-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCOCCN1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000851725702 612982708 /nfs/dbraw/zinc/98/27/08/612982708.db2.gz DOCKETSJDXHSGK-UHFFFAOYSA-N 1 2 295.427 0.512 20 30 CCEDLO C#CCOCCN1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000851725702 612982709 /nfs/dbraw/zinc/98/27/09/612982709.db2.gz DOCKETSJDXHSGK-UHFFFAOYSA-N 1 2 295.427 0.512 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826602991 612945654 /nfs/dbraw/zinc/94/56/54/612945654.db2.gz AULYPCOSZSTSCL-HNNXBMFYSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826602991 612945655 /nfs/dbraw/zinc/94/56/55/612945655.db2.gz AULYPCOSZSTSCL-HNNXBMFYSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279589 612948522 /nfs/dbraw/zinc/94/85/22/612948522.db2.gz CSYHAQVVBHEOGA-WDEREUQCSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CCSCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900794830 613015577 /nfs/dbraw/zinc/01/55/77/613015577.db2.gz JLRILYXHDZIBNC-ACCUITESSA-N 1 2 282.409 0.748 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931322335 612949713 /nfs/dbraw/zinc/94/97/13/612949713.db2.gz PZTAXIVVGYEMET-NSHDSACASA-N 1 2 291.351 0.262 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931322335 612949714 /nfs/dbraw/zinc/94/97/14/612949714.db2.gz PZTAXIVVGYEMET-NSHDSACASA-N 1 2 291.351 0.262 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852277848 613083415 /nfs/dbraw/zinc/08/34/15/613083415.db2.gz QTPMOJMNQFOYOT-QWHCGFSZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812021210 613085386 /nfs/dbraw/zinc/08/53/86/613085386.db2.gz UMPMTKCETXLIFB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812021210 613085388 /nfs/dbraw/zinc/08/53/88/613085388.db2.gz UMPMTKCETXLIFB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853659497 613090669 /nfs/dbraw/zinc/09/06/69/613090669.db2.gz IWPNHPFUJFFSMQ-VIFPVBQESA-N 1 2 259.313 0.987 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H]1CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000876624587 613107507 /nfs/dbraw/zinc/10/75/07/613107507.db2.gz GSMMPLGSBQGOJF-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCC[C@@H]1CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000876624587 613107509 /nfs/dbraw/zinc/10/75/09/613107509.db2.gz GSMMPLGSBQGOJF-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000884151571 613877721 /nfs/dbraw/zinc/87/77/21/613877721.db2.gz PQOBYCHDJUKZKL-DCAQKATOSA-N 1 2 254.330 0.690 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000892517414 612956003 /nfs/dbraw/zinc/95/60/03/612956003.db2.gz JSWHDIJHYGNJQE-UHFFFAOYSA-N 1 2 289.335 0.597 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000890526773 612957708 /nfs/dbraw/zinc/95/77/08/612957708.db2.gz AKFYENVYLSRQFG-GFCCVEGCSA-N 1 2 261.325 0.677 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896545790 612967656 /nfs/dbraw/zinc/96/76/56/612967656.db2.gz QEPNZHILQVKDNB-DZGCQCFKSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896545790 612967657 /nfs/dbraw/zinc/96/76/57/612967657.db2.gz QEPNZHILQVKDNB-DZGCQCFKSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000853800224 612981656 /nfs/dbraw/zinc/98/16/56/612981656.db2.gz UDTZBWSEAWUPAL-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000853800224 612981657 /nfs/dbraw/zinc/98/16/57/612981657.db2.gz UDTZBWSEAWUPAL-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921935907 612987806 /nfs/dbraw/zinc/98/78/06/612987806.db2.gz ZRERRNYIMCXTOI-ZDUSSCGKSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921935905 612987885 /nfs/dbraw/zinc/98/78/85/612987885.db2.gz ZRERRNYIMCXTOI-CYBMUJFWSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840285293 612990052 /nfs/dbraw/zinc/99/00/52/612990052.db2.gz DKXPXWJARSFCJE-OLZOCXBDSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840285293 612990053 /nfs/dbraw/zinc/99/00/53/612990053.db2.gz DKXPXWJARSFCJE-OLZOCXBDSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC000956990172 612992020 /nfs/dbraw/zinc/99/20/20/612992020.db2.gz CKTIYOFSGYUOST-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn(C)n2)C1 ZINC000957388052 612992455 /nfs/dbraw/zinc/99/24/55/612992455.db2.gz JNXCUUQEJITXGQ-UHFFFAOYSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2)C1 ZINC000949641449 612993075 /nfs/dbraw/zinc/99/30/75/612993075.db2.gz CKCQAYRLAVFSGW-UHFFFAOYSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccn3nccc3n2)CC1 ZINC000900474605 613010682 /nfs/dbraw/zinc/01/06/82/613010682.db2.gz SAEQNUSBBHAVGB-UHFFFAOYSA-N 1 2 283.335 0.510 20 30 CCEDLO C#CCSCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866014195 613015643 /nfs/dbraw/zinc/01/56/43/613015643.db2.gz XSGTXJZAQGTSLV-ONEGZZNKSA-N 1 2 268.382 0.357 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000914153392 613025021 /nfs/dbraw/zinc/02/50/21/613025021.db2.gz ACUAYRFWNWVBKB-LBPRGKRZSA-N 1 2 276.340 0.567 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875194852 613034841 /nfs/dbraw/zinc/03/48/41/613034841.db2.gz MZOOFTIIDGRIFY-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875194852 613034843 /nfs/dbraw/zinc/03/48/43/613034843.db2.gz MZOOFTIIDGRIFY-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000858140864 613064537 /nfs/dbraw/zinc/06/45/37/613064537.db2.gz IUQJKYXFSUUQPV-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)OC ZINC000854910547 613069115 /nfs/dbraw/zinc/06/91/15/613069115.db2.gz XIOQSWPAQXPAMJ-MXWKQRLJSA-N 1 2 275.308 0.205 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000877480253 613079681 /nfs/dbraw/zinc/07/96/81/613079681.db2.gz PBNUFBVGKXUDPR-MRVPVSSYSA-N 1 2 258.368 0.849 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000877480253 613079682 /nfs/dbraw/zinc/07/96/82/613079682.db2.gz PBNUFBVGKXUDPR-MRVPVSSYSA-N 1 2 258.368 0.849 20 30 CCEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CCCO1 ZINC000838556161 613095875 /nfs/dbraw/zinc/09/58/75/613095875.db2.gz KWIVBWKZFLDTOJ-OLZOCXBDSA-N 1 2 276.340 0.443 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000891896918 613102157 /nfs/dbraw/zinc/10/21/57/613102157.db2.gz UBWHJNXLZGADAV-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869247302 613104707 /nfs/dbraw/zinc/10/47/07/613104707.db2.gz GVCKTTZNDNBXHN-GFCCVEGCSA-N 1 2 293.323 0.247 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCO[C@](C)(C3CC3)C2)C1=O ZINC000849180403 613109570 /nfs/dbraw/zinc/10/95/70/613109570.db2.gz IUZRFMRRIHIPHG-WFASDCNBSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCO[C@](C)(C3CC3)C2)C1=O ZINC000849180403 613109571 /nfs/dbraw/zinc/10/95/71/613109571.db2.gz IUZRFMRRIHIPHG-WFASDCNBSA-N 1 2 276.336 0.248 20 30 CCEDLO C#C[C@@](C)(CC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882227321 613113166 /nfs/dbraw/zinc/11/31/66/613113166.db2.gz CSRRGUOXANVAJX-NSHDSACASA-N 1 2 255.343 0.604 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)P(=O)(OCC)OCC ZINC000852162423 613111748 /nfs/dbraw/zinc/11/17/48/613111748.db2.gz JSOGDPVLXYRJAK-NEPJUHHUSA-N 1 2 291.284 0.905 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)P(=O)(OCC)OCC ZINC000852162423 613111751 /nfs/dbraw/zinc/11/17/51/613111751.db2.gz JSOGDPVLXYRJAK-NEPJUHHUSA-N 1 2 291.284 0.905 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C)CC=CC3)CC2)C1 ZINC000941546871 613114492 /nfs/dbraw/zinc/11/44/92/613114492.db2.gz COYAHANGVDYUHL-UHFFFAOYSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C3CC3)CC2)C1 ZINC000941521154 613114506 /nfs/dbraw/zinc/11/45/06/613114506.db2.gz YDBWBUQGWZVABQ-UHFFFAOYSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CCC2)CC1 ZINC000928653175 613132466 /nfs/dbraw/zinc/13/24/66/613132466.db2.gz BVEFKCQQJGZCSB-UHFFFAOYSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000921439993 613138507 /nfs/dbraw/zinc/13/85/07/613138507.db2.gz OWOYJIJUFAFSDX-UHFFFAOYSA-N 1 2 297.380 0.667 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000934512530 613155817 /nfs/dbraw/zinc/15/58/17/613155817.db2.gz POPZSWHSJMKCNB-LBPRGKRZSA-N 1 2 296.396 0.186 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000934512530 613155819 /nfs/dbraw/zinc/15/58/19/613155819.db2.gz POPZSWHSJMKCNB-LBPRGKRZSA-N 1 2 296.396 0.186 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC000923566019 613165720 /nfs/dbraw/zinc/16/57/20/613165720.db2.gz MSYRUMANGTZEPO-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC000923566019 613165722 /nfs/dbraw/zinc/16/57/22/613165722.db2.gz MSYRUMANGTZEPO-CQSZACIVSA-N 1 2 289.383 0.731 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCOC)C2)nc1 ZINC000957290335 613167156 /nfs/dbraw/zinc/16/71/56/613167156.db2.gz UDFLLLKEDNTIGX-UHFFFAOYSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnc(C)s2)C1 ZINC000902731520 613175119 /nfs/dbraw/zinc/17/51/19/613175119.db2.gz ZRVAIUWZYWIWCP-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnc(C)s2)C1 ZINC000902731520 613175120 /nfs/dbraw/zinc/17/51/20/613175120.db2.gz ZRVAIUWZYWIWCP-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc(C)cc2O)C1 ZINC000923565281 613175138 /nfs/dbraw/zinc/17/51/38/613175138.db2.gz FLJTUCFMEYHFPH-GFCCVEGCSA-N 1 2 273.336 0.923 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(C)cc2O)C1 ZINC000923565281 613175139 /nfs/dbraw/zinc/17/51/39/613175139.db2.gz FLJTUCFMEYHFPH-GFCCVEGCSA-N 1 2 273.336 0.923 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000885512217 613175892 /nfs/dbraw/zinc/17/58/92/613175892.db2.gz UHSYOFATVZUXRC-QWHCGFSZSA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000885512217 613175893 /nfs/dbraw/zinc/17/58/93/613175893.db2.gz UHSYOFATVZUXRC-QWHCGFSZSA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000891608080 613181087 /nfs/dbraw/zinc/18/10/87/613181087.db2.gz WZUZISZDJLMAJJ-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000891608080 613181089 /nfs/dbraw/zinc/18/10/89/613181089.db2.gz WZUZISZDJLMAJJ-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000891606293 613181211 /nfs/dbraw/zinc/18/12/11/613181211.db2.gz FDHTUFCGEKNUTB-ZDUSSCGKSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000891606293 613181212 /nfs/dbraw/zinc/18/12/12/613181212.db2.gz FDHTUFCGEKNUTB-ZDUSSCGKSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)OC)C1 ZINC000885512680 613193178 /nfs/dbraw/zinc/19/31/78/613193178.db2.gz XWYXAVXFTNHHHN-NEPJUHHUSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)OC)C1 ZINC000885512680 613193180 /nfs/dbraw/zinc/19/31/80/613193180.db2.gz XWYXAVXFTNHHHN-NEPJUHHUSA-N 1 2 274.386 0.038 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000929489075 613195147 /nfs/dbraw/zinc/19/51/47/613195147.db2.gz XXAGXPRPSFWODU-GFCCVEGCSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000929489075 613195149 /nfs/dbraw/zinc/19/51/49/613195149.db2.gz XXAGXPRPSFWODU-GFCCVEGCSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nccc(C)n1 ZINC000910995889 613200881 /nfs/dbraw/zinc/20/08/81/613200881.db2.gz AYXAEXXZTUUGSC-LBPRGKRZSA-N 1 2 258.325 0.499 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nccc(C)n1 ZINC000910995889 613200883 /nfs/dbraw/zinc/20/08/83/613200883.db2.gz AYXAEXXZTUUGSC-LBPRGKRZSA-N 1 2 258.325 0.499 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000863839504 613202799 /nfs/dbraw/zinc/20/27/99/613202799.db2.gz OECWKDYBTXDMMN-KBPBESRZSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000863839504 613202800 /nfs/dbraw/zinc/20/28/00/613202800.db2.gz OECWKDYBTXDMMN-KBPBESRZSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263776 613211225 /nfs/dbraw/zinc/21/12/25/613211225.db2.gz CHHPAWKHCAYFSG-AWEZNQCLSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263776 613211226 /nfs/dbraw/zinc/21/12/26/613211226.db2.gz CHHPAWKHCAYFSG-AWEZNQCLSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(F)F)C2)C1 ZINC000972430688 613211527 /nfs/dbraw/zinc/21/15/27/613211527.db2.gz JGBWRGFAALYXOK-JSGCOSHPSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(F)F)C2)C1 ZINC000972430688 613211528 /nfs/dbraw/zinc/21/15/28/613211528.db2.gz JGBWRGFAALYXOK-JSGCOSHPSA-N 1 2 298.333 0.968 20 30 CCEDLO C/C(=C\C(=O)NCC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000907295685 613255660 /nfs/dbraw/zinc/25/56/60/613255660.db2.gz NUPDOXGGRHCMNP-XYOKQWHBSA-N 1 2 265.357 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ncn[nH]3)C[C@@]2(C)C1 ZINC000982725611 613292638 /nfs/dbraw/zinc/29/26/38/613292638.db2.gz MTFNFKYLUCYBKX-GASCZTMLSA-N 1 2 287.367 0.151 20 30 CCEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ncn[nH]3)C[C@@]2(C)C1 ZINC000982725611 613292639 /nfs/dbraw/zinc/29/26/39/613292639.db2.gz MTFNFKYLUCYBKX-GASCZTMLSA-N 1 2 287.367 0.151 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000957314849 613318413 /nfs/dbraw/zinc/31/84/13/613318413.db2.gz QXRSWAWHHUXPPK-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000949483530 613318843 /nfs/dbraw/zinc/31/88/43/613318843.db2.gz GGYCFKJNRNSNRX-ZIAGYGMSSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC000949619849 613321281 /nfs/dbraw/zinc/32/12/81/613321281.db2.gz BKGWWVCOKWJWAR-UHFFFAOYSA-N 1 2 286.339 0.458 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000878903374 613328433 /nfs/dbraw/zinc/32/84/33/613328433.db2.gz NKCRQRXDDJPLDO-UHFFFAOYSA-N 1 2 258.325 0.259 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000878903374 613328434 /nfs/dbraw/zinc/32/84/34/613328434.db2.gz NKCRQRXDDJPLDO-UHFFFAOYSA-N 1 2 258.325 0.259 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000007354702 613329617 /nfs/dbraw/zinc/32/96/17/613329617.db2.gz BXMRAGZURMJHPA-UHFFFAOYSA-N 1 2 287.363 0.567 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882896974 613355310 /nfs/dbraw/zinc/35/53/10/613355310.db2.gz XBOLETLGJCUWJA-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000883739319 613357477 /nfs/dbraw/zinc/35/74/77/613357477.db2.gz WDWKYKSJXHBIBP-GFCCVEGCSA-N 1 2 266.345 0.589 20 30 CCEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913541724 613362660 /nfs/dbraw/zinc/36/26/60/613362660.db2.gz UEKLAPITQLCANN-MGPQQGTHSA-N 1 2 282.384 0.493 20 30 CCEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913541724 613362661 /nfs/dbraw/zinc/36/26/61/613362661.db2.gz UEKLAPITQLCANN-MGPQQGTHSA-N 1 2 282.384 0.493 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409468 613371485 /nfs/dbraw/zinc/37/14/85/613371485.db2.gz IDQLREPIDBMZPT-MWLCHTKSSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516763 613375694 /nfs/dbraw/zinc/37/56/94/613375694.db2.gz FITDZYPMVCJOPP-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516763 613375695 /nfs/dbraw/zinc/37/56/95/613375695.db2.gz FITDZYPMVCJOPP-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000878653597 613397095 /nfs/dbraw/zinc/39/70/95/613397095.db2.gz JAXLLDOIJFZMAJ-OLZOCXBDSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000878653597 613397098 /nfs/dbraw/zinc/39/70/98/613397098.db2.gz JAXLLDOIJFZMAJ-OLZOCXBDSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@@H](C)[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000877940819 613400139 /nfs/dbraw/zinc/40/01/39/613400139.db2.gz JOSPEIWDXUWFRQ-OLZOCXBDSA-N 1 2 272.414 0.756 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC ZINC000905760971 613405568 /nfs/dbraw/zinc/40/55/68/613405568.db2.gz WDPMQCYUJDYKNA-GFCCVEGCSA-N 1 2 251.330 0.682 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000878538757 613410294 /nfs/dbraw/zinc/41/02/94/613410294.db2.gz GYMGFXOYSYJLNT-SNVBAGLBSA-N 1 2 280.328 0.807 20 30 CCEDLO C=CCn1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000842781371 613433438 /nfs/dbraw/zinc/43/34/38/613433438.db2.gz UKLVYXANPYUGSA-SNVBAGLBSA-N 1 2 268.292 0.665 20 30 CCEDLO C=CCn1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC000842781371 613433442 /nfs/dbraw/zinc/43/34/42/613433442.db2.gz UKLVYXANPYUGSA-SNVBAGLBSA-N 1 2 268.292 0.665 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000845640339 613445808 /nfs/dbraw/zinc/44/58/08/613445808.db2.gz FUTWTTOUUSSPNY-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000845640339 613445810 /nfs/dbraw/zinc/44/58/10/613445810.db2.gz FUTWTTOUUSSPNY-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875700942 613446017 /nfs/dbraw/zinc/44/60/17/613446017.db2.gz SSYQEHMUOORYQE-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875700942 613446018 /nfs/dbraw/zinc/44/60/18/613446018.db2.gz SSYQEHMUOORYQE-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCC1 ZINC000913544417 613456124 /nfs/dbraw/zinc/45/61/24/613456124.db2.gz FDBRQQLNWBYWCC-LBPRGKRZSA-N 1 2 252.358 0.868 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCC1 ZINC000913544417 613456126 /nfs/dbraw/zinc/45/61/26/613456126.db2.gz FDBRQQLNWBYWCC-LBPRGKRZSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894625399 613493118 /nfs/dbraw/zinc/49/31/18/613493118.db2.gz UWLFSCURSBOHTG-ZJUUUORDSA-N 1 2 252.318 0.618 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894625399 613493120 /nfs/dbraw/zinc/49/31/20/613493120.db2.gz UWLFSCURSBOHTG-ZJUUUORDSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000950584128 613502962 /nfs/dbraw/zinc/50/29/62/613502962.db2.gz NGLSCKNTIOQWKQ-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925604302 613523506 /nfs/dbraw/zinc/52/35/06/613523506.db2.gz JAPVNUNIZIHNAO-ZDUSSCGKSA-N 1 2 267.373 0.762 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941110796 613589382 /nfs/dbraw/zinc/58/93/82/613589382.db2.gz LCSXGHKHTXHCPB-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941110796 613589386 /nfs/dbraw/zinc/58/93/86/613589386.db2.gz LCSXGHKHTXHCPB-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C=CC[N@@H+](CCOC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929976018 613650409 /nfs/dbraw/zinc/65/04/09/613650409.db2.gz LDEUMWBUFXDDKM-NSHDSACASA-N 1 2 259.371 0.841 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CN(CC)C(=O)O2)nn1 ZINC000881358473 613645044 /nfs/dbraw/zinc/64/50/44/613645044.db2.gz ABEODPSXIYKHDE-GFCCVEGCSA-N 1 2 277.328 0.232 20 30 CCEDLO CC#CC[C@@H](CO)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000895102966 613650084 /nfs/dbraw/zinc/65/00/84/613650084.db2.gz IZNCZTVRXKQOAV-VIFPVBQESA-N 1 2 268.338 0.794 20 30 CCEDLO C=CC[N@H+](CCOC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929976018 613650407 /nfs/dbraw/zinc/65/04/07/613650407.db2.gz LDEUMWBUFXDDKM-NSHDSACASA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000970905843 613668738 /nfs/dbraw/zinc/66/87/38/613668738.db2.gz WOHWLFCNSJMSAU-JQWIXIFHSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)nc[nH]c2=O)CC1 ZINC000949072576 613707774 /nfs/dbraw/zinc/70/77/74/613707774.db2.gz HMRKFNLTANVLEK-UHFFFAOYSA-N 1 2 290.367 0.753 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COc2cccnc2)CC1 ZINC000951762931 613708341 /nfs/dbraw/zinc/70/83/41/613708341.db2.gz QFCPIVLCUNSWSB-UHFFFAOYSA-N 1 2 261.325 0.791 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC000949874873 613713487 /nfs/dbraw/zinc/71/34/87/613713487.db2.gz HCUHNCNRVIKMDN-LBPRGKRZSA-N 1 2 289.383 0.250 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000949013058 613716991 /nfs/dbraw/zinc/71/69/91/613716991.db2.gz ZTJDYDXVAYZCGD-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2OC)CC1 ZINC000950559556 613717907 /nfs/dbraw/zinc/71/79/07/613717907.db2.gz RIWPOHSNDQOHRX-UHFFFAOYSA-N 1 2 277.324 0.740 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncc3ncn(C)c32)CC1 ZINC000948851006 613718095 /nfs/dbraw/zinc/71/80/95/613718095.db2.gz ZFAQUZLJMVVULH-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243685 613723682 /nfs/dbraw/zinc/72/36/82/613723682.db2.gz SDFYXACOLFPQPF-ZDUSSCGKSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243685 613723683 /nfs/dbraw/zinc/72/36/83/613723683.db2.gz SDFYXACOLFPQPF-ZDUSSCGKSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnns3)C2)C1 ZINC000972280947 613724748 /nfs/dbraw/zinc/72/47/48/613724748.db2.gz CQCCXASCQNSPDH-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnns3)C2)C1 ZINC000972280947 613724750 /nfs/dbraw/zinc/72/47/50/613724750.db2.gz CQCCXASCQNSPDH-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COC)C2)C1 ZINC000972199459 613724981 /nfs/dbraw/zinc/72/49/81/613724981.db2.gz BHBZNBRGAKMDMW-CYBMUJFWSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COC)C2)C1 ZINC000972199459 613724983 /nfs/dbraw/zinc/72/49/83/613724983.db2.gz BHBZNBRGAKMDMW-CYBMUJFWSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972365332 613725501 /nfs/dbraw/zinc/72/55/01/613725501.db2.gz RYUDXVPCOBHNFU-OAHLLOKOSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972365332 613725505 /nfs/dbraw/zinc/72/55/05/613725505.db2.gz RYUDXVPCOBHNFU-OAHLLOKOSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972290793 613726587 /nfs/dbraw/zinc/72/65/87/613726587.db2.gz HKNDDQMABOHLPT-DZGCQCFKSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972290793 613726591 /nfs/dbraw/zinc/72/65/91/613726591.db2.gz HKNDDQMABOHLPT-DZGCQCFKSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1=O ZINC000830075098 613739836 /nfs/dbraw/zinc/73/98/36/613739836.db2.gz VGLRBRNXVBAPAW-QLFBSQMISA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1=O ZINC000830075098 613739837 /nfs/dbraw/zinc/73/98/37/613739837.db2.gz VGLRBRNXVBAPAW-QLFBSQMISA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC000798624097 613764970 /nfs/dbraw/zinc/76/49/70/613764970.db2.gz ZLBBHSMZXKILGU-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC000798624097 613764971 /nfs/dbraw/zinc/76/49/71/613764971.db2.gz ZLBBHSMZXKILGU-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000957779577 613797399 /nfs/dbraw/zinc/79/73/99/613797399.db2.gz CUOYHPPRYRIYQD-HIFRSBDPSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000957779577 613797395 /nfs/dbraw/zinc/79/73/95/613797395.db2.gz CUOYHPPRYRIYQD-HIFRSBDPSA-N 1 2 291.326 0.626 20 30 CCEDLO C=CCNC(=O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897320811 613845943 /nfs/dbraw/zinc/84/59/43/613845943.db2.gz GOOIVNAPELCUMH-UHFFFAOYSA-N 1 2 264.329 0.345 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809632184 613847344 /nfs/dbraw/zinc/84/73/44/613847344.db2.gz LSVMDMYYYUIROZ-UHFFFAOYSA-N 1 2 283.353 0.580 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455439 613852075 /nfs/dbraw/zinc/85/20/75/613852075.db2.gz JWVVKYVTECBLGX-UWVGGRQHSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455439 613852076 /nfs/dbraw/zinc/85/20/76/613852076.db2.gz JWVVKYVTECBLGX-UWVGGRQHSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933263724 613853386 /nfs/dbraw/zinc/85/33/86/613853386.db2.gz PWOWMYBIGDXXPZ-LLVKDONJSA-N 1 2 262.357 0.952 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC(C)C ZINC000884076968 613877307 /nfs/dbraw/zinc/87/73/07/613877307.db2.gz URHBAMXNKSGTFB-NSHDSACASA-N 1 2 256.346 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000884100185 613877490 /nfs/dbraw/zinc/87/74/90/613877490.db2.gz LWBJLZWIBLJAHT-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H]1C ZINC000884170201 613877733 /nfs/dbraw/zinc/87/77/33/613877733.db2.gz SCUWEPFKHRCHHC-AXFHLTTASA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OCC12CCC2 ZINC000884387511 613877981 /nfs/dbraw/zinc/87/79/81/613877981.db2.gz VYROUFYGJMWVQY-RYUDHWBXSA-N 1 2 296.367 0.603 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccnc(F)c1 ZINC000884463360 613878572 /nfs/dbraw/zinc/87/85/72/613878572.db2.gz DVVYWFZHDYSNRK-JTQLQIEISA-N 1 2 281.287 0.284 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000884145661 613878818 /nfs/dbraw/zinc/87/88/18/613878818.db2.gz PJNQOYRBJAWFKZ-LYIQGSDWSA-N 1 2 296.367 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CCF)c1 ZINC000884432487 613878903 /nfs/dbraw/zinc/87/89/03/613878903.db2.gz FZEPGYIJQYHVIO-JTQLQIEISA-N 1 2 284.291 0.238 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c2c(nn1C)CCC2 ZINC000884175632 613878924 /nfs/dbraw/zinc/87/89/24/613878924.db2.gz ZWFSVKMHJSDBHE-JTQLQIEISA-N 1 2 292.339 0.294 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000804146612 613882055 /nfs/dbraw/zinc/88/20/55/613882055.db2.gz BMFIZYASGCOGRL-LBPRGKRZSA-N 1 2 292.339 0.786 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000821838826 613885022 /nfs/dbraw/zinc/88/50/22/613885022.db2.gz VMAVUJNEWYCCST-UHFFFAOYSA-N 1 2 290.429 0.681 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000821838826 613885023 /nfs/dbraw/zinc/88/50/23/613885023.db2.gz VMAVUJNEWYCCST-UHFFFAOYSA-N 1 2 290.429 0.681 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865524774 613885916 /nfs/dbraw/zinc/88/59/16/613885916.db2.gz PLACVHDIYHIQBO-UHFFFAOYSA-N 1 2 269.370 0.908 20 30 CCEDLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000878761890 614017213 /nfs/dbraw/zinc/01/72/13/614017213.db2.gz QSUFAFCEMWTUEJ-ZDUSSCGKSA-N 1 2 288.413 0.940 20 30 CCEDLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000878761890 614017214 /nfs/dbraw/zinc/01/72/14/614017214.db2.gz QSUFAFCEMWTUEJ-ZDUSSCGKSA-N 1 2 288.413 0.940 20 30 CCEDLO CC(C)(C)[C@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866385667 614032226 /nfs/dbraw/zinc/03/22/26/614032226.db2.gz OWRUVAFQXMDYEU-RXNFCKPNSA-N 1 2 265.357 0.929 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933905978 614285945 /nfs/dbraw/zinc/28/59/45/614285945.db2.gz HQBZGJDOVBVRCW-WFASDCNBSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933905978 614285946 /nfs/dbraw/zinc/28/59/46/614285946.db2.gz HQBZGJDOVBVRCW-WFASDCNBSA-N 1 2 295.383 0.878 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000878529689 614557857 /nfs/dbraw/zinc/55/78/57/614557857.db2.gz KQOADCMZOLMZRL-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252757 614603543 /nfs/dbraw/zinc/60/35/43/614603543.db2.gz JGKDXCBWHLICOR-LBPRGKRZSA-N 1 2 275.356 0.623 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589821 615064385 /nfs/dbraw/zinc/06/43/85/615064385.db2.gz FJOJGFHWDCJWLZ-OLZOCXBDSA-N 1 2 296.415 0.826 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589821 615064386 /nfs/dbraw/zinc/06/43/86/615064386.db2.gz FJOJGFHWDCJWLZ-OLZOCXBDSA-N 1 2 296.415 0.826 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000837548167 615185150 /nfs/dbraw/zinc/18/51/50/615185150.db2.gz XRBDRZHDIIOJCJ-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000837548167 615185151 /nfs/dbraw/zinc/18/51/51/615185151.db2.gz XRBDRZHDIIOJCJ-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)cn1C ZINC000902940205 615479503 /nfs/dbraw/zinc/47/95/03/615479503.db2.gz MWXJLXUWEMKHHD-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000913521951 615857796 /nfs/dbraw/zinc/85/77/96/615857796.db2.gz URVJAEKQHBEYRE-UHFFFAOYSA-N 1 2 293.289 0.125 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(C#N)cnn1 ZINC000872773101 615929819 /nfs/dbraw/zinc/92/98/19/615929819.db2.gz FOXFWNUYYVGBTC-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(C#N)cnn1 ZINC000872773101 615929820 /nfs/dbraw/zinc/92/98/20/615929820.db2.gz FOXFWNUYYVGBTC-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820095 616040548 /nfs/dbraw/zinc/04/05/48/616040548.db2.gz BITZYWOSXOAQOA-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971720855 616041362 /nfs/dbraw/zinc/04/13/62/616041362.db2.gz VWHANVSOFRSHID-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971720855 616041363 /nfs/dbraw/zinc/04/13/63/616041363.db2.gz VWHANVSOFRSHID-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(CCC#N)c1ccc(C=[NH+]NC2=NCC(=O)N2)cc1 ZINC000863174384 616068131 /nfs/dbraw/zinc/06/81/31/616068131.db2.gz JPBOSOHRYQUBMF-UHFFFAOYSA-N 1 2 284.323 0.446 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000930001286 616149314 /nfs/dbraw/zinc/14/93/14/616149314.db2.gz TVDVCBRBGSVIIM-UTUOFQBUSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000930001286 616149315 /nfs/dbraw/zinc/14/93/15/616149315.db2.gz TVDVCBRBGSVIIM-UTUOFQBUSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1CO ZINC000913544683 616220951 /nfs/dbraw/zinc/22/09/51/616220951.db2.gz KCGGMVMGCUJZLC-OAHLLOKOSA-N 1 2 299.374 0.725 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1CO ZINC000913544683 616220952 /nfs/dbraw/zinc/22/09/52/616220952.db2.gz KCGGMVMGCUJZLC-OAHLLOKOSA-N 1 2 299.374 0.725 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1CO ZINC000913541700 616227702 /nfs/dbraw/zinc/22/77/02/616227702.db2.gz STQPACTZGYRSPW-OWCLPIDISA-N 1 2 299.374 0.797 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1CO ZINC000913541700 616227703 /nfs/dbraw/zinc/22/77/03/616227703.db2.gz STQPACTZGYRSPW-OWCLPIDISA-N 1 2 299.374 0.797 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H](CO)C1 ZINC000912738699 616230243 /nfs/dbraw/zinc/23/02/43/616230243.db2.gz INVHEAXNOPJFSI-GFCCVEGCSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H](CO)C1 ZINC000912738699 616230244 /nfs/dbraw/zinc/23/02/44/616230244.db2.gz INVHEAXNOPJFSI-GFCCVEGCSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H](CO)C1 ZINC000912751490 616230370 /nfs/dbraw/zinc/23/03/70/616230370.db2.gz ISFOAKIISVFATO-ZDUSSCGKSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H](CO)C1 ZINC000912751490 616230371 /nfs/dbraw/zinc/23/03/71/616230371.db2.gz ISFOAKIISVFATO-ZDUSSCGKSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C#N)C2)C1 ZINC000916882201 616254821 /nfs/dbraw/zinc/25/48/21/616254821.db2.gz FZKRYEXALBUMMV-RYUDHWBXSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C#N)C2)C1 ZINC000916882201 616254822 /nfs/dbraw/zinc/25/48/22/616254822.db2.gz FZKRYEXALBUMMV-RYUDHWBXSA-N 1 2 266.345 0.262 20 30 CCEDLO COCC#CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775121 616528762 /nfs/dbraw/zinc/52/87/62/616528762.db2.gz JIDJGDUDMXLASV-KGLIPLIRSA-N 1 2 297.351 0.059 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000871343287 616544517 /nfs/dbraw/zinc/54/45/17/616544517.db2.gz GQVBYYXMAZYFGK-UHFFFAOYSA-N 1 2 264.285 0.258 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880559597 616562455 /nfs/dbraw/zinc/56/24/55/616562455.db2.gz HHBITOTWGYTVFR-MRXNPFEDSA-N 1 2 299.330 0.921 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880559597 616562456 /nfs/dbraw/zinc/56/24/56/616562456.db2.gz HHBITOTWGYTVFR-MRXNPFEDSA-N 1 2 299.330 0.921 20 30 CCEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1NC ZINC000872349564 616654404 /nfs/dbraw/zinc/65/44/04/616654404.db2.gz AHSPNRGBBKHZBR-UHFFFAOYSA-N 1 2 279.369 0.272 20 30 CCEDLO COC[C@H](CO[NH+]=C(N)c1ccc(OC)cc1)OC ZINC000853654745 616679082 /nfs/dbraw/zinc/67/90/82/616679082.db2.gz XMRMQJKDVCEWAY-GFCCVEGCSA-N 1 2 268.313 0.994 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000895848121 616932446 /nfs/dbraw/zinc/93/24/46/616932446.db2.gz KYJKYLAJQZWAJS-LBPRGKRZSA-N 1 2 260.297 0.884 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000895848121 616932450 /nfs/dbraw/zinc/93/24/50/616932450.db2.gz KYJKYLAJQZWAJS-LBPRGKRZSA-N 1 2 260.297 0.884 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001007953406 625392689 /nfs/dbraw/zinc/39/26/89/625392689.db2.gz NSKZMMULXNWJBH-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001007953406 625392695 /nfs/dbraw/zinc/39/26/95/625392695.db2.gz NSKZMMULXNWJBH-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925605243 625439769 /nfs/dbraw/zinc/43/97/69/625439769.db2.gz DNQKLUDQFBTPOP-KBPBESRZSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000934511685 622729851 /nfs/dbraw/zinc/72/98/51/622729851.db2.gz SERHTONHPNFTOK-VXGBXAGGSA-N 1 2 265.357 0.067 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000934511685 622729855 /nfs/dbraw/zinc/72/98/55/622729855.db2.gz SERHTONHPNFTOK-VXGBXAGGSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)n[nH]c1C ZINC001018262486 623650208 /nfs/dbraw/zinc/65/02/08/623650208.db2.gz USEMQLOHCGICMZ-OKILXGFUSA-N 1 2 286.379 0.877 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)n[nH]c1C ZINC001018262486 623650212 /nfs/dbraw/zinc/65/02/12/623650212.db2.gz USEMQLOHCGICMZ-OKILXGFUSA-N 1 2 286.379 0.877 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027758183 630897306 /nfs/dbraw/zinc/89/73/06/630897306.db2.gz SHYMSZONNUCZIF-NEPJUHHUSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027758183 630897310 /nfs/dbraw/zinc/89/73/10/630897310.db2.gz SHYMSZONNUCZIF-NEPJUHHUSA-N 1 2 288.775 0.735 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982083526 631373532 /nfs/dbraw/zinc/37/35/32/631373532.db2.gz ONMXGTHOVYGSKM-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(CC#N)CC1 ZINC000982143224 631379523 /nfs/dbraw/zinc/37/95/23/631379523.db2.gz QAOOUPJGYJAKRB-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(CC#N)CC1 ZINC000982143224 631379525 /nfs/dbraw/zinc/37/95/25/631379525.db2.gz QAOOUPJGYJAKRB-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO N#Cc1csc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000897268393 632445169 /nfs/dbraw/zinc/44/51/69/632445169.db2.gz YPSOOPYGSIEVRZ-MRVPVSSYSA-N 1 2 288.336 0.635 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC000987321405 632857724 /nfs/dbraw/zinc/85/77/24/632857724.db2.gz NSHPPGDHRHHXLF-VHSXEESVSA-N 1 2 283.763 0.679 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987340109 632859194 /nfs/dbraw/zinc/85/91/94/632859194.db2.gz DCKZAPQAHJIZTH-PWSUYJOCSA-N 1 2 261.329 0.065 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC000987413954 632866526 /nfs/dbraw/zinc/86/65/26/632866526.db2.gz HJGUQZIIMXPIJN-QWRGUYRKSA-N 1 2 261.329 0.363 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934727 633127917 /nfs/dbraw/zinc/12/79/17/633127917.db2.gz UTACYMQHZGJBCZ-JQWIXIFHSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934727 633127921 /nfs/dbraw/zinc/12/79/21/633127921.db2.gz UTACYMQHZGJBCZ-JQWIXIFHSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934729 633128346 /nfs/dbraw/zinc/12/83/46/633128346.db2.gz UTACYMQHZGJBCZ-ZYHUDNBSSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934729 633128351 /nfs/dbraw/zinc/12/83/51/633128351.db2.gz UTACYMQHZGJBCZ-ZYHUDNBSSA-N 1 2 261.329 0.445 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938192771 633837496 /nfs/dbraw/zinc/83/74/96/633837496.db2.gz FNBAQKXLKPAFEL-ZDUSSCGKSA-N 1 2 286.335 0.014 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009973595 650175556 /nfs/dbraw/zinc/17/55/56/650175556.db2.gz SGYDNENJJLVBHK-VIFPVBQESA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009973595 650175558 /nfs/dbraw/zinc/17/55/58/650175558.db2.gz SGYDNENJJLVBHK-VIFPVBQESA-N 1 2 282.731 0.739 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000911698734 636343894 /nfs/dbraw/zinc/34/38/94/636343894.db2.gz RPIWLUMGQJOPJN-QWRGUYRKSA-N 1 2 261.329 0.397 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010840141 650271143 /nfs/dbraw/zinc/27/11/43/650271143.db2.gz KLLZFPPEJSTIKP-IUCAKERBSA-N 1 2 273.720 0.038 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010840141 650271179 /nfs/dbraw/zinc/27/11/79/650271179.db2.gz KLLZFPPEJSTIKP-IUCAKERBSA-N 1 2 273.720 0.038 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC000913448038 636817601 /nfs/dbraw/zinc/81/76/01/636817601.db2.gz XDIOMNBRSHPZCM-KHJSKFAYSA-N 1 2 273.340 0.822 20 30 CCEDLO C[C@H](CNC(=O)N1CCC[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000914067011 637500215 /nfs/dbraw/zinc/50/02/15/637500215.db2.gz JLHXIRIMVFBGEF-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001015290320 637543008 /nfs/dbraw/zinc/54/30/08/637543008.db2.gz MWFGWNOHJHZVJF-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001015290320 637543016 /nfs/dbraw/zinc/54/30/16/637543016.db2.gz MWFGWNOHJHZVJF-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC000993020552 637665415 /nfs/dbraw/zinc/66/54/15/637665415.db2.gz XUDWNVBIDWGBJC-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC000993020552 637665420 /nfs/dbraw/zinc/66/54/20/637665420.db2.gz XUDWNVBIDWGBJC-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993724554 637835242 /nfs/dbraw/zinc/83/52/42/637835242.db2.gz AOAHEISFQMTGDT-RYUDHWBXSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993724554 637835248 /nfs/dbraw/zinc/83/52/48/637835248.db2.gz AOAHEISFQMTGDT-RYUDHWBXSA-N 1 2 290.367 0.732 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000930122361 638128240 /nfs/dbraw/zinc/12/82/40/638128240.db2.gz ZZLIIGYGPKZCTC-CYBMUJFWSA-N 1 2 264.304 0.617 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2OC)CC1 ZINC000068444740 638257187 /nfs/dbraw/zinc/25/71/87/638257187.db2.gz SZSJDYAMDRPSBN-UHFFFAOYSA-N 1 2 273.336 0.871 20 30 CCEDLO COCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181845035 638426817 /nfs/dbraw/zinc/42/68/17/638426817.db2.gz NPRDAGBAQHMWFR-CQSZACIVSA-N 1 2 293.367 0.823 20 30 CCEDLO COCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181845035 638426824 /nfs/dbraw/zinc/42/68/24/638426824.db2.gz NPRDAGBAQHMWFR-CQSZACIVSA-N 1 2 293.367 0.823 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016222900 639165896 /nfs/dbraw/zinc/16/58/96/639165896.db2.gz SATYSGZQYYUQRA-LBPRGKRZSA-N 1 2 295.770 0.791 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016222900 639165899 /nfs/dbraw/zinc/16/58/99/639165899.db2.gz SATYSGZQYYUQRA-LBPRGKRZSA-N 1 2 295.770 0.791 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014726890 650482583 /nfs/dbraw/zinc/48/25/83/650482583.db2.gz ZWJAEZFWUOWKMY-LBPRGKRZSA-N 1 2 290.367 0.224 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014726890 650482588 /nfs/dbraw/zinc/48/25/88/650482588.db2.gz ZWJAEZFWUOWKMY-LBPRGKRZSA-N 1 2 290.367 0.224 20 30 CCEDLO CC#CC[NH+]1CCC(N(C)C(=O)Cc2ncn[nH]2)CC1 ZINC001006276013 640216385 /nfs/dbraw/zinc/21/63/85/640216385.db2.gz ZAISYIPBTGLNQD-UHFFFAOYSA-N 1 2 275.356 0.293 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001015405829 650563650 /nfs/dbraw/zinc/56/36/50/650563650.db2.gz XZGUGEDQFQGVMR-RYUDHWBXSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001015405829 650563653 /nfs/dbraw/zinc/56/36/53/650563653.db2.gz XZGUGEDQFQGVMR-RYUDHWBXSA-N 1 2 286.397 0.330 20 30 CCEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)C1CC1 ZINC000838865650 640275967 /nfs/dbraw/zinc/27/59/67/640275967.db2.gz QXTPHSFNZLLAQD-AWEZNQCLSA-N 1 2 267.373 0.305 20 30 CCEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)C1CC1 ZINC000838865650 640275973 /nfs/dbraw/zinc/27/59/73/640275973.db2.gz QXTPHSFNZLLAQD-AWEZNQCLSA-N 1 2 267.373 0.305 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015621027 650593873 /nfs/dbraw/zinc/59/38/73/650593873.db2.gz QMWSMQBWNBABFC-QWRGUYRKSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015621027 650593876 /nfs/dbraw/zinc/59/38/76/650593876.db2.gz QMWSMQBWNBABFC-QWRGUYRKSA-N 1 2 273.340 0.048 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000801932608 640675522 /nfs/dbraw/zinc/67/55/22/640675522.db2.gz RLAJOCDKOSTMHS-BXUZGUMPSA-N 1 2 273.336 1.000 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000801932608 640675527 /nfs/dbraw/zinc/67/55/27/640675527.db2.gz RLAJOCDKOSTMHS-BXUZGUMPSA-N 1 2 273.336 1.000 20 30 CCEDLO C[C@H](C#N)OCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000801931839 640676351 /nfs/dbraw/zinc/67/63/51/640676351.db2.gz BKDOVVHOENDBRF-PWSUYJOCSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000801931839 640676355 /nfs/dbraw/zinc/67/63/55/640676355.db2.gz BKDOVVHOENDBRF-PWSUYJOCSA-N 1 2 272.370 0.567 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015659488 650603601 /nfs/dbraw/zinc/60/36/01/650603601.db2.gz BUSJGVGUMQFPRO-GFCCVEGCSA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015659488 650603603 /nfs/dbraw/zinc/60/36/03/650603603.db2.gz BUSJGVGUMQFPRO-GFCCVEGCSA-N 1 2 265.357 0.409 20 30 CCEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC[C@H](C)O ZINC000814963023 641085848 /nfs/dbraw/zinc/08/58/48/641085848.db2.gz AKFORULSARSRIR-VIFPVBQESA-N 1 2 299.334 0.789 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001015936155 650659747 /nfs/dbraw/zinc/65/97/47/650659747.db2.gz GOQYYIMTCGGJBG-JTQLQIEISA-N 1 2 292.360 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001015936155 650659749 /nfs/dbraw/zinc/65/97/49/650659749.db2.gz GOQYYIMTCGGJBG-JTQLQIEISA-N 1 2 292.360 0.957 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000828457811 642096287 /nfs/dbraw/zinc/09/62/87/642096287.db2.gz XKOQBJBUCPIRNK-OLZOCXBDSA-N 1 2 272.308 0.884 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000828457811 642096291 /nfs/dbraw/zinc/09/62/91/642096291.db2.gz XKOQBJBUCPIRNK-OLZOCXBDSA-N 1 2 272.308 0.884 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347411 650720766 /nfs/dbraw/zinc/72/07/66/650720766.db2.gz ISRUIARMSGGRIQ-NSHDSACASA-N 1 2 291.376 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347411 650720767 /nfs/dbraw/zinc/72/07/67/650720767.db2.gz ISRUIARMSGGRIQ-NSHDSACASA-N 1 2 291.376 0.674 20 30 CCEDLO C[C@H]1CC(NC(=O)C=CC[NH+]2CCOCC2)=NO1 ZINC000867063242 642175482 /nfs/dbraw/zinc/17/54/82/642175482.db2.gz RRRASKADYPPFSG-ZMWSMAPVSA-N 1 2 253.302 0.113 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCC1CCCCC1 ZINC000121385792 642180428 /nfs/dbraw/zinc/18/04/28/642180428.db2.gz HSIZBTVAPNQJGY-UHFFFAOYSA-N 1 2 257.334 0.354 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000842176113 642879805 /nfs/dbraw/zinc/87/98/05/642879805.db2.gz GAHZNTOULWUCTH-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000842176113 642879807 /nfs/dbraw/zinc/87/98/07/642879807.db2.gz GAHZNTOULWUCTH-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)c1C ZINC001017439887 650802010 /nfs/dbraw/zinc/80/20/10/650802010.db2.gz WSIWEKFPOFCYNT-TXEJJXNPSA-N 1 2 275.356 0.598 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)c1C ZINC001017439887 650802014 /nfs/dbraw/zinc/80/20/14/650802014.db2.gz WSIWEKFPOFCYNT-TXEJJXNPSA-N 1 2 275.356 0.598 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc[nH]1 ZINC001017512429 650808124 /nfs/dbraw/zinc/80/81/24/650808124.db2.gz UOBJGFNRWOCHRE-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc[nH]1 ZINC001017512429 650808128 /nfs/dbraw/zinc/80/81/28/650808128.db2.gz UOBJGFNRWOCHRE-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCC1=O ZINC001017695800 650817895 /nfs/dbraw/zinc/81/78/95/650817895.db2.gz FLUQJGFMJARVGD-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCC1=O ZINC001017695800 650817897 /nfs/dbraw/zinc/81/78/97/650817897.db2.gz FLUQJGFMJARVGD-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001017792250 650822965 /nfs/dbraw/zinc/82/29/65/650822965.db2.gz LNTCJOUWCQNLLO-RQJABVFESA-N 1 2 289.379 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001017792250 650822969 /nfs/dbraw/zinc/82/29/69/650822969.db2.gz LNTCJOUWCQNLLO-RQJABVFESA-N 1 2 289.379 0.196 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)n1C ZINC001017931109 650835006 /nfs/dbraw/zinc/83/50/06/650835006.db2.gz CHGWXMJRXCQCBK-BETUJISGSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)n1C ZINC001017931109 650835008 /nfs/dbraw/zinc/83/50/08/650835008.db2.gz CHGWXMJRXCQCBK-BETUJISGSA-N 1 2 285.347 0.307 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccn1 ZINC001018090067 650843074 /nfs/dbraw/zinc/84/30/74/650843074.db2.gz PZPXIQZFBKRVGB-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccn1 ZINC001018090067 650843077 /nfs/dbraw/zinc/84/30/77/650843077.db2.gz PZPXIQZFBKRVGB-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018268693 650851290 /nfs/dbraw/zinc/85/12/90/650851290.db2.gz AAXQWOLCFZVLKQ-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018268693 650851292 /nfs/dbraw/zinc/85/12/92/650851292.db2.gz AAXQWOLCFZVLKQ-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO Cc1[nH+]cc(C=NNC(=S)NC[C@@H]2CCCO2)n1C ZINC000853266914 644095328 /nfs/dbraw/zinc/09/53/28/644095328.db2.gz BVQGGPMSODJPID-NSHDSACASA-N 1 2 281.385 0.706 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@@](C)(C#N)C2)C1 ZINC000853596556 644126829 /nfs/dbraw/zinc/12/68/29/644126829.db2.gz IZTLBJUGKPTIAZ-DOMZBBRYSA-N 1 2 287.367 0.929 20 30 CCEDLO NC(=[NH+]OC[C@H]1COCCO1)c1ccc(F)cc1 ZINC000853645960 644132783 /nfs/dbraw/zinc/13/27/83/644132783.db2.gz JNGCKBLFIGXONM-LLVKDONJSA-N 1 2 254.261 0.878 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018826918 650913384 /nfs/dbraw/zinc/91/33/84/650913384.db2.gz OFIYDZQEJLQPTC-NSHDSACASA-N 1 2 260.297 0.174 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001019060997 650934944 /nfs/dbraw/zinc/93/49/44/650934944.db2.gz NSDQVOJVWCUMLJ-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO N#C[C@@]1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000868720676 645808672 /nfs/dbraw/zinc/80/86/72/645808672.db2.gz NVSSKNKBCRHAIN-GUTXKFCHSA-N 1 2 293.367 0.286 20 30 CCEDLO N#C[C@@]1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000868720676 645808674 /nfs/dbraw/zinc/80/86/74/645808674.db2.gz NVSSKNKBCRHAIN-GUTXKFCHSA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C#N)CCCOC2)[C@@H](C)CO1 ZINC000869241192 645861394 /nfs/dbraw/zinc/86/13/94/645861394.db2.gz AQAFSFICYIHWPQ-GUTXKFCHSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)CCCOC2)[C@@H](C)CO1 ZINC000869241192 645861396 /nfs/dbraw/zinc/86/13/96/645861396.db2.gz AQAFSFICYIHWPQ-GUTXKFCHSA-N 1 2 295.383 0.532 20 30 CCEDLO C=CCOCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869265010 645866146 /nfs/dbraw/zinc/86/61/46/645866146.db2.gz CZEDSPNQDQFIIO-HYXAFXHYSA-N 1 2 268.357 0.584 20 30 CCEDLO CS(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000873028827 646343894 /nfs/dbraw/zinc/34/38/94/646343894.db2.gz QYFMTKIUUZZILA-UHFFFAOYSA-N 1 2 256.302 0.832 20 30 CCEDLO N#CCC1(C[N@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)CC1 ZINC000879723909 647101382 /nfs/dbraw/zinc/10/13/82/647101382.db2.gz CHECSEWAELPUSQ-NEPJUHHUSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCC1(C[N@@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)CC1 ZINC000879723909 647101384 /nfs/dbraw/zinc/10/13/84/647101384.db2.gz CHECSEWAELPUSQ-NEPJUHHUSA-N 1 2 263.341 0.660 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CN(CC)C(=O)O2)nn1 ZINC000881358474 647305544 /nfs/dbraw/zinc/30/55/44/647305544.db2.gz ABEODPSXIYKHDE-LBPRGKRZSA-N 1 2 277.328 0.232 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C#N)n1 ZINC000882009156 647363439 /nfs/dbraw/zinc/36/34/39/647363439.db2.gz QLABOUOLSMUEAJ-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000931548292 649003771 /nfs/dbraw/zinc/00/37/71/649003771.db2.gz YFXIVBHNSPUHOW-UHFFFAOYSA-N 1 2 260.297 0.957 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000934516212 649177649 /nfs/dbraw/zinc/17/76/49/649177649.db2.gz DMCRBFXBLDKXFF-JSGCOSHPSA-N 1 2 280.368 0.788 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000934516212 649177652 /nfs/dbraw/zinc/17/76/52/649177652.db2.gz DMCRBFXBLDKXFF-JSGCOSHPSA-N 1 2 280.368 0.788 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948926981 649402920 /nfs/dbraw/zinc/40/29/20/649402920.db2.gz PYIMGHLDGKCXFN-LBPRGKRZSA-N 1 2 273.340 0.113 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526764 805610230 /nfs/dbraw/zinc/61/02/30/805610230.db2.gz HAJGJMXOBDDYFE-ZYHUDNBSSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526764 805610235 /nfs/dbraw/zinc/61/02/35/805610235.db2.gz HAJGJMXOBDDYFE-ZYHUDNBSSA-N 1 2 253.346 0.230 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230532174 805612929 /nfs/dbraw/zinc/61/29/29/805612929.db2.gz FTZFDVRMKGJSPM-ZDUSSCGKSA-N 1 2 250.342 0.579 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230532174 805612932 /nfs/dbraw/zinc/61/29/32/805612932.db2.gz FTZFDVRMKGJSPM-ZDUSSCGKSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230596447 805631627 /nfs/dbraw/zinc/63/16/27/805631627.db2.gz WREVTVDHHFYIEG-OCCSQVGLSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230596447 805631631 /nfs/dbraw/zinc/63/16/31/805631631.db2.gz WREVTVDHHFYIEG-OCCSQVGLSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cccs1 ZINC001266250164 790326339 /nfs/dbraw/zinc/32/63/39/790326339.db2.gz GRUNTCPQSSZRHD-UHFFFAOYSA-N 1 2 293.392 0.088 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cccs1 ZINC001266250164 790326352 /nfs/dbraw/zinc/32/63/52/790326352.db2.gz GRUNTCPQSSZRHD-UHFFFAOYSA-N 1 2 293.392 0.088 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)CCOCC)CC1 ZINC001266281553 790391202 /nfs/dbraw/zinc/39/12/02/790391202.db2.gz RZIRJPJGNIEIJX-UHFFFAOYSA-N 1 2 281.400 0.170 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001039055014 790509409 /nfs/dbraw/zinc/50/94/09/790509409.db2.gz QMNMKJYXAPJICS-LBPRGKRZSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001039055014 790509415 /nfs/dbraw/zinc/50/94/15/790509415.db2.gz QMNMKJYXAPJICS-LBPRGKRZSA-N 1 2 298.346 0.716 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(CNCC#N)CC1 ZINC001167422608 791056286 /nfs/dbraw/zinc/05/62/86/791056286.db2.gz UDAONVUGXGMBTO-LBPRGKRZSA-N 1 2 289.383 0.988 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654230 805643381 /nfs/dbraw/zinc/64/33/81/805643381.db2.gz MPXRDVRGJCIVML-CYBMUJFWSA-N 1 2 294.351 0.057 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654230 805643383 /nfs/dbraw/zinc/64/33/83/805643383.db2.gz MPXRDVRGJCIVML-CYBMUJFWSA-N 1 2 294.351 0.057 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230676444 805645688 /nfs/dbraw/zinc/64/56/88/805645688.db2.gz PYBKJNRQLQPARI-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230676444 805645692 /nfs/dbraw/zinc/64/56/92/805645692.db2.gz PYBKJNRQLQPARI-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682947 805647885 /nfs/dbraw/zinc/64/78/85/805647885.db2.gz YOQTXJPXKLUSBU-KBPBESRZSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682947 805647892 /nfs/dbraw/zinc/64/78/92/805647892.db2.gz YOQTXJPXKLUSBU-KBPBESRZSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230705313 805653471 /nfs/dbraw/zinc/65/34/71/805653471.db2.gz KKCLKYMXQOZVPF-NWDGAFQWSA-N 1 2 299.440 0.573 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230705313 805653474 /nfs/dbraw/zinc/65/34/74/805653474.db2.gz KKCLKYMXQOZVPF-NWDGAFQWSA-N 1 2 299.440 0.573 20 30 CCEDLO COC(=O)Cc1ccc(OC2C[NH+](C)C2)cc1C#N ZINC001231044445 805715407 /nfs/dbraw/zinc/71/54/07/805715407.db2.gz RJTVMQJISBXIPO-UHFFFAOYSA-N 1 2 260.293 0.967 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001231122855 805734990 /nfs/dbraw/zinc/73/49/90/805734990.db2.gz OREGUJDSHDMZOR-QWRGUYRKSA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001231122855 805734991 /nfs/dbraw/zinc/73/49/91/805734991.db2.gz OREGUJDSHDMZOR-QWRGUYRKSA-N 1 2 296.371 0.069 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231245870 805759824 /nfs/dbraw/zinc/75/98/24/805759824.db2.gz BPHUNOKOVGDLDO-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231245870 805759828 /nfs/dbraw/zinc/75/98/28/805759828.db2.gz BPHUNOKOVGDLDO-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001277570543 805857982 /nfs/dbraw/zinc/85/79/82/805857982.db2.gz LLJRRMBYBWRLLJ-OCCSQVGLSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2c(C)nc[nH]c2=O)C1 ZINC001277625746 805905545 /nfs/dbraw/zinc/90/55/45/805905545.db2.gz KUNSIYUBXVHLET-UHFFFAOYSA-N 1 2 290.367 0.752 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCN1C ZINC001232677703 805969260 /nfs/dbraw/zinc/96/92/60/805969260.db2.gz ICUKNOFITABQIG-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCN1C ZINC001232677703 805969265 /nfs/dbraw/zinc/96/92/65/805969265.db2.gz ICUKNOFITABQIG-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C=C(CC)CC ZINC001267190277 791646891 /nfs/dbraw/zinc/64/68/91/791646891.db2.gz AKUUQLXPPQUWAD-UHFFFAOYSA-N 1 2 279.384 0.530 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C=C(CC)CC ZINC001267190277 791646897 /nfs/dbraw/zinc/64/68/97/791646897.db2.gz AKUUQLXPPQUWAD-UHFFFAOYSA-N 1 2 279.384 0.530 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038245473 791678511 /nfs/dbraw/zinc/67/85/11/791678511.db2.gz AAUJEKHZMIZWGO-JTQLQIEISA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038245473 791678515 /nfs/dbraw/zinc/67/85/15/791678515.db2.gz AAUJEKHZMIZWGO-JTQLQIEISA-N 1 2 282.294 0.586 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC=C ZINC001233957722 806155666 /nfs/dbraw/zinc/15/56/66/806155666.db2.gz NCPJDFMZSIORIJ-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC=C ZINC001233957722 806155672 /nfs/dbraw/zinc/15/56/72/806155672.db2.gz NCPJDFMZSIORIJ-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1cn[nH]n1 ZINC001267246042 793235635 /nfs/dbraw/zinc/23/56/35/793235635.db2.gz ZYAFMFWDGYJZCT-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@H+](CC#Cc1ccccc1)CCNC(=O)c1cn[nH]n1 ZINC001267246042 793235645 /nfs/dbraw/zinc/23/56/45/793235645.db2.gz ZYAFMFWDGYJZCT-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1cnn[nH]1 ZINC001267246042 793235654 /nfs/dbraw/zinc/23/56/54/793235654.db2.gz ZYAFMFWDGYJZCT-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@H+](CC#Cc1ccccc1)CCNC(=O)c1cnn[nH]1 ZINC001267246042 793235662 /nfs/dbraw/zinc/23/56/62/793235662.db2.gz ZYAFMFWDGYJZCT-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1OC ZINC001234827392 806305599 /nfs/dbraw/zinc/30/55/99/806305599.db2.gz GUTPWGKGFODOTC-ADAFDVPTSA-N 1 2 293.323 0.485 20 30 CCEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1OC ZINC001234827392 806305609 /nfs/dbraw/zinc/30/56/09/806305609.db2.gz GUTPWGKGFODOTC-ADAFDVPTSA-N 1 2 293.323 0.485 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124650 806372677 /nfs/dbraw/zinc/37/26/77/806372677.db2.gz SGMIYHASGZWGAV-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124650 806372687 /nfs/dbraw/zinc/37/26/87/806372687.db2.gz SGMIYHASGZWGAV-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO C=CC[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278084660 806653343 /nfs/dbraw/zinc/65/33/43/806653343.db2.gz FFGXDMZTHAQDNC-RQJHMYQMSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001278084660 806653350 /nfs/dbraw/zinc/65/33/50/806653350.db2.gz FFGXDMZTHAQDNC-RQJHMYQMSA-N 1 2 258.215 0.140 20 30 CCEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)cn2c1 ZINC001237608185 806699989 /nfs/dbraw/zinc/69/99/89/806699989.db2.gz FDHGTVVPARUYAD-OCCSQVGLSA-N 1 2 286.335 0.381 20 30 CCEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)cn2c1 ZINC001237608185 806699996 /nfs/dbraw/zinc/69/99/96/806699996.db2.gz FDHGTVVPARUYAD-OCCSQVGLSA-N 1 2 286.335 0.381 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3(O)CC3)n2CC=C)CC1 ZINC001121533504 799055986 /nfs/dbraw/zinc/05/59/86/799055986.db2.gz FMVLQZSQWAQLSD-UHFFFAOYSA-N 1 2 287.367 0.201 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CC)n2C)CC1 ZINC001121558149 799057424 /nfs/dbraw/zinc/05/74/24/799057424.db2.gz UBWPIGNOKYNIRB-NSHDSACASA-N 1 2 263.345 0.014 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001124767770 799633379 /nfs/dbraw/zinc/63/33/79/799633379.db2.gz KVYZINDLKUUBON-UHFFFAOYSA-N 1 2 294.355 0.746 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001124772385 799633846 /nfs/dbraw/zinc/63/38/46/799633846.db2.gz CFYNFWWGODYLCO-SNVBAGLBSA-N 1 2 282.344 0.601 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001124773417 799634756 /nfs/dbraw/zinc/63/47/56/799634756.db2.gz REUVWPSHIRHLBX-JTQLQIEISA-N 1 2 282.344 0.601 20 30 CCEDLO Cc1nc(C[NH2+]CCNC(=O)[C@@H](C)C#N)oc1C ZINC001124888841 799639197 /nfs/dbraw/zinc/63/91/97/799639197.db2.gz MMBFCZJBVPLIAN-QMMMGPOBSA-N 1 2 250.302 0.657 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124907869 799645557 /nfs/dbraw/zinc/64/55/57/799645557.db2.gz BDTXWNQMHKHWCQ-HTQZYQBOSA-N 1 2 251.290 0.305 20 30 CCEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nnn(C)c21 ZINC001140541304 799921686 /nfs/dbraw/zinc/92/16/86/799921686.db2.gz CUKJJIOIVVNVCA-LBPRGKRZSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nnn(C)c21 ZINC001140541304 799921690 /nfs/dbraw/zinc/92/16/90/799921690.db2.gz CUKJJIOIVVNVCA-LBPRGKRZSA-N 1 2 298.350 0.828 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1 ZINC001151856620 800465731 /nfs/dbraw/zinc/46/57/31/800465731.db2.gz VKPGCVAAZRCMQU-UHFFFAOYSA-N 1 2 298.346 0.867 20 30 CCEDLO CC[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N ZINC001153006724 800580054 /nfs/dbraw/zinc/58/00/54/800580054.db2.gz IEIQADTWRXJGRN-CHWSQXEVSA-N 1 2 296.415 0.889 20 30 CCEDLO CC[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N ZINC001153006724 800580056 /nfs/dbraw/zinc/58/00/56/800580056.db2.gz IEIQADTWRXJGRN-CHWSQXEVSA-N 1 2 296.415 0.889 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001154520673 800793137 /nfs/dbraw/zinc/79/31/37/800793137.db2.gz ZQJGNCJGORORQS-SNVBAGLBSA-N 1 2 255.281 0.272 20 30 CCEDLO COc1ccnc(C(N)=NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001154526048 800794404 /nfs/dbraw/zinc/79/44/04/800794404.db2.gz HXZUOXHALAIZDG-UHFFFAOYSA-N 1 2 296.290 0.679 20 30 CCEDLO COc1nc(NC[C@H]2C[N@H+](C)CCO2)c(F)cc1C#N ZINC001155197764 800928895 /nfs/dbraw/zinc/92/88/95/800928895.db2.gz RXNUPMSNZILCDX-JTQLQIEISA-N 1 2 280.303 0.843 20 30 CCEDLO COc1nc(NC[C@H]2C[N@@H+](C)CCO2)c(F)cc1C#N ZINC001155197764 800928901 /nfs/dbraw/zinc/92/89/01/800928901.db2.gz RXNUPMSNZILCDX-JTQLQIEISA-N 1 2 280.303 0.843 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321257 800950158 /nfs/dbraw/zinc/95/01/58/800950158.db2.gz IVPJEPBMOSFTOA-JHJVBQTASA-N 1 2 289.383 0.874 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(CC#N)ccn2)C[NH2+]1 ZINC001156248870 801139424 /nfs/dbraw/zinc/13/94/24/801139424.db2.gz MQUWWCQJWQZEBM-QWRGUYRKSA-N 1 2 260.297 0.463 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(Cl)nn1 ZINC001156321209 801149681 /nfs/dbraw/zinc/14/96/81/801149681.db2.gz UQPRMRVKXAGFKJ-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO Cc1nc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc2n1C ZINC001156320027 801150127 /nfs/dbraw/zinc/15/01/27/801150127.db2.gz MUIYETZXZSOFPV-JTQLQIEISA-N 1 2 256.313 0.579 20 30 CCEDLO COc1ccc2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156321013 801150282 /nfs/dbraw/zinc/15/02/82/801150282.db2.gz MAGMZONCBLNABM-JTQLQIEISA-N 1 2 269.308 0.940 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1ccc(Cl)nn1 ZINC001156332313 801152256 /nfs/dbraw/zinc/15/22/56/801152256.db2.gz IYEXNPJWNRFOIH-OIBJUYFYSA-N 1 2 271.683 0.559 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970989 801275146 /nfs/dbraw/zinc/27/51/46/801275146.db2.gz XOXSBTBHLJEIEQ-SECBINFHSA-N 1 2 271.280 0.510 20 30 CCEDLO N#Cc1cc2c(nc1-n1[nH]c(=O)nc1C[NH3+])CCCC2 ZINC001157941254 801535718 /nfs/dbraw/zinc/53/57/18/801535718.db2.gz YRTWSZUKWMKGCI-UHFFFAOYSA-N 1 2 270.296 0.577 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(Cl)ncc2C#N)C[NH2+]1 ZINC001158253921 801604142 /nfs/dbraw/zinc/60/41/42/801604142.db2.gz IZILPZMINHOYRF-SCZZXKLOSA-N 1 2 280.715 0.922 20 30 CCEDLO N#CCN1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161553553 802179332 /nfs/dbraw/zinc/17/93/32/802179332.db2.gz FNUMCDCORSFBCW-UHFFFAOYSA-N 1 2 273.340 0.614 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)ccc1CC#N ZINC001161949820 802255702 /nfs/dbraw/zinc/25/57/02/802255702.db2.gz JYFDECLHNKWDEN-LLVKDONJSA-N 1 2 262.313 0.758 20 30 CCEDLO COc1cc(C#N)cnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162680349 802386151 /nfs/dbraw/zinc/38/61/51/802386151.db2.gz JLOQGNWLJDMFHH-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)cnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162680349 802386161 /nfs/dbraw/zinc/38/61/61/802386161.db2.gz JLOQGNWLJDMFHH-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCCC(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001163767313 802609237 /nfs/dbraw/zinc/60/92/37/802609237.db2.gz OUHJDSWAOCVPHZ-UHFFFAOYSA-N 1 2 292.387 0.552 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164223946 802691452 /nfs/dbraw/zinc/69/14/52/802691452.db2.gz YJMRKGBANHBSNV-WDEREUQCSA-N 1 2 280.376 0.264 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1N1CC[NH2+]CC(F)(F)C1 ZINC001164502249 802750883 /nfs/dbraw/zinc/75/08/83/802750883.db2.gz LGNMZHISWQZGQD-UHFFFAOYSA-N 1 2 292.293 0.827 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)ncn1 ZINC001164623708 802773653 /nfs/dbraw/zinc/77/36/53/802773653.db2.gz AILWDMOEEWHDBF-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001267748280 811738189 /nfs/dbraw/zinc/73/81/89/811738189.db2.gz TWFVZHVUFQTTOM-UONOGXRCSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001267748280 811738192 /nfs/dbraw/zinc/73/81/92/811738192.db2.gz TWFVZHVUFQTTOM-UONOGXRCSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC3)C2)nn1 ZINC001105244481 811871501 /nfs/dbraw/zinc/87/15/01/811871501.db2.gz ZRAYFQRDFPKUOK-UHFFFAOYSA-N 1 2 273.340 0.184 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001270599739 813832754 /nfs/dbraw/zinc/83/27/54/813832754.db2.gz MLFBMFIGVBNHEY-YPMHNXCESA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001270599739 813832761 /nfs/dbraw/zinc/83/27/61/813832761.db2.gz MLFBMFIGVBNHEY-YPMHNXCESA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948384 803316644 /nfs/dbraw/zinc/31/66/44/803316644.db2.gz IJQLDSUHJLKBBN-IUODEOHRSA-N 1 2 286.379 0.770 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948384 803316650 /nfs/dbraw/zinc/31/66/50/803316650.db2.gz IJQLDSUHJLKBBN-IUODEOHRSA-N 1 2 286.379 0.770 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001271375849 814395082 /nfs/dbraw/zinc/39/50/82/814395082.db2.gz VNUGFWOBXUGQGB-CYBMUJFWSA-N 1 2 276.380 0.753 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062061 803484747 /nfs/dbraw/zinc/48/47/47/803484747.db2.gz XXVBXTWZOGFVCA-VXGBXAGGSA-N 1 2 275.356 0.313 20 30 CCEDLO Cc1cocc1C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001272087074 814956850 /nfs/dbraw/zinc/95/68/50/814956850.db2.gz LKMPIZQVNFSIBB-UHFFFAOYSA-N 1 2 292.339 0.232 20 30 CCEDLO Cc1cocc1C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001272087074 814956855 /nfs/dbraw/zinc/95/68/55/814956855.db2.gz LKMPIZQVNFSIBB-UHFFFAOYSA-N 1 2 292.339 0.232 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@H](OC)C1 ZINC001213964190 803707962 /nfs/dbraw/zinc/70/79/62/803707962.db2.gz QPJCLUZZGDRNNT-JHJVBQTASA-N 1 2 266.341 0.026 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@H](OC)C1 ZINC001213964190 803707966 /nfs/dbraw/zinc/70/79/66/803707966.db2.gz QPJCLUZZGDRNNT-JHJVBQTASA-N 1 2 266.341 0.026 20 30 CCEDLO CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213970448 803709180 /nfs/dbraw/zinc/70/91/80/803709180.db2.gz IISCFSMVKRBVHM-CHWSQXEVSA-N 1 2 291.355 0.002 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COC(C)C)[C@H]2C1 ZINC001217456785 803890719 /nfs/dbraw/zinc/89/07/19/803890719.db2.gz JZAXZNREOIDCMM-UONOGXRCSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COC(C)C)[C@H]2C1 ZINC001217456785 803890727 /nfs/dbraw/zinc/89/07/27/803890727.db2.gz JZAXZNREOIDCMM-UONOGXRCSA-N 1 2 280.368 0.346 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]21 ZINC001217510863 803892212 /nfs/dbraw/zinc/89/22/12/803892212.db2.gz TWUJPSMCIGRBIH-FRRDWIJNSA-N 1 2 295.383 0.128 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]21 ZINC001217510863 803892220 /nfs/dbraw/zinc/89/22/20/803892220.db2.gz TWUJPSMCIGRBIH-FRRDWIJNSA-N 1 2 295.383 0.128 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCCC=C)[C@H]2C1 ZINC001217468860 803892364 /nfs/dbraw/zinc/89/23/64/803892364.db2.gz DHVQCVPCADWAQI-QLFBSQMISA-N 1 2 292.379 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCCC=C)[C@H]2C1 ZINC001217468860 803892373 /nfs/dbraw/zinc/89/23/73/803892373.db2.gz DHVQCVPCADWAQI-QLFBSQMISA-N 1 2 292.379 0.512 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OC)[C@H]2C1 ZINC001218441174 803957583 /nfs/dbraw/zinc/95/75/83/803957583.db2.gz ZCCBGIKBVKTVQB-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OC)[C@H]2C1 ZINC001218441174 803957592 /nfs/dbraw/zinc/95/75/92/803957592.db2.gz ZCCBGIKBVKTVQB-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C(C)C)C1=O ZINC001276793076 804082858 /nfs/dbraw/zinc/08/28/58/804082858.db2.gz OORDYFQVABKFFI-OLZOCXBDSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C(C)C)C1=O ZINC001276793076 804082869 /nfs/dbraw/zinc/08/28/69/804082869.db2.gz OORDYFQVABKFFI-OLZOCXBDSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001276801653 804189581 /nfs/dbraw/zinc/18/95/81/804189581.db2.gz RVWWCYFLNSHDSK-QWHCGFSZSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001276801653 804189585 /nfs/dbraw/zinc/18/95/85/804189585.db2.gz RVWWCYFLNSHDSK-QWHCGFSZSA-N 1 2 252.358 0.871 20 30 CCEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1COC[NH2+]1 ZINC001219315243 804267717 /nfs/dbraw/zinc/26/77/17/804267717.db2.gz UMBPZROTIIRCLO-QMMMGPOBSA-N 1 2 253.208 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCCC)[C@@H](O)C1 ZINC001219322216 804271298 /nfs/dbraw/zinc/27/12/98/804271298.db2.gz PBSNYIOWSHCDDQ-MJBXVCDLSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCCC)[C@@H](O)C1 ZINC001219322216 804271304 /nfs/dbraw/zinc/27/13/04/804271304.db2.gz PBSNYIOWSHCDDQ-MJBXVCDLSA-N 1 2 282.384 0.376 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587402 804361133 /nfs/dbraw/zinc/36/11/33/804361133.db2.gz DKKNSWVHJWLQDF-XQQFMLRXSA-N 1 2 270.348 0.555 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587402 804361141 /nfs/dbraw/zinc/36/11/41/804361141.db2.gz DKKNSWVHJWLQDF-XQQFMLRXSA-N 1 2 270.348 0.555 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220434491 804604038 /nfs/dbraw/zinc/60/40/38/804604038.db2.gz MCWYLSJZHINXNA-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220434491 804604042 /nfs/dbraw/zinc/60/40/42/804604042.db2.gz MCWYLSJZHINXNA-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446680 804817990 /nfs/dbraw/zinc/81/79/90/804817990.db2.gz QWTWTHXOOIBGOP-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446680 804817996 /nfs/dbraw/zinc/81/79/96/804817996.db2.gz QWTWTHXOOIBGOP-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221473815 804821642 /nfs/dbraw/zinc/82/16/42/804821642.db2.gz MVSBGGCDYHIGIJ-XKFUZFNKSA-N 1 2 290.367 0.125 20 30 CCEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221473815 804821651 /nfs/dbraw/zinc/82/16/51/804821651.db2.gz MVSBGGCDYHIGIJ-XKFUZFNKSA-N 1 2 290.367 0.125 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(C)o1 ZINC001276836635 804933935 /nfs/dbraw/zinc/93/39/35/804933935.db2.gz ZBOBDFRGIXIVSD-CQSZACIVSA-N 1 2 290.363 0.971 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(C)o1 ZINC001276836635 804933941 /nfs/dbraw/zinc/93/39/41/804933941.db2.gz ZBOBDFRGIXIVSD-CQSZACIVSA-N 1 2 290.363 0.971 20 30 CCEDLO Cc1cc(=O)c(C#N)c(OC[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001225470579 805132114 /nfs/dbraw/zinc/13/21/14/805132114.db2.gz XDYAEFFONXVQPP-SNVBAGLBSA-N 1 2 263.297 0.677 20 30 CCEDLO Cc1cc(=O)c(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001225470579 805132120 /nfs/dbraw/zinc/13/21/20/805132120.db2.gz XDYAEFFONXVQPP-SNVBAGLBSA-N 1 2 263.297 0.677 20 30 CCEDLO O=C(C#CC1CC1)NCC1([NH2+]Cc2ccon2)CC1 ZINC001277055700 805141642 /nfs/dbraw/zinc/14/16/42/805141642.db2.gz TUZROSMETTUANP-UHFFFAOYSA-N 1 2 259.309 0.826 20 30 CCEDLO CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001278342244 806992716 /nfs/dbraw/zinc/99/27/16/806992716.db2.gz TVQYABKMDLLRAA-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CCO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001278342246 806992874 /nfs/dbraw/zinc/99/28/74/806992874.db2.gz TVQYABKMDLLRAA-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H]1C ZINC001088691242 815085838 /nfs/dbraw/zinc/08/58/38/815085838.db2.gz GCNRXFOCZOSYII-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H]1C ZINC001088691242 815085845 /nfs/dbraw/zinc/08/58/45/815085845.db2.gz GCNRXFOCZOSYII-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CCCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001247594951 807468029 /nfs/dbraw/zinc/46/80/29/807468029.db2.gz KAHRLLYLEQHXOT-GFCCVEGCSA-N 1 2 269.414 0.844 20 30 CCEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c(O)cc1F ZINC001251028861 807647690 /nfs/dbraw/zinc/64/76/90/807647690.db2.gz QUIWHBDIXIYELT-LLVKDONJSA-N 1 2 295.314 0.508 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001251897278 807741692 /nfs/dbraw/zinc/74/16/92/807741692.db2.gz WQJUIHHVWCHXEW-ZDUSSCGKSA-N 1 2 283.368 0.853 20 30 CCEDLO C=CCC[C@@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252623283 807921795 /nfs/dbraw/zinc/92/17/95/807921795.db2.gz IHKMBAFTNPQPFG-KGLIPLIRSA-N 1 2 295.383 0.811 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1snnc1CC ZINC001038491634 815161815 /nfs/dbraw/zinc/16/18/15/815161815.db2.gz KAGNADYIWVJWID-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1CC ZINC001038491634 815161819 /nfs/dbraw/zinc/16/18/19/815161819.db2.gz KAGNADYIWVJWID-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001253576217 808083068 /nfs/dbraw/zinc/08/30/68/808083068.db2.gz KWEWSELNSMQVLO-TZMCWYRMSA-N 1 2 292.383 0.781 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001253576217 808083078 /nfs/dbraw/zinc/08/30/78/808083078.db2.gz KWEWSELNSMQVLO-TZMCWYRMSA-N 1 2 292.383 0.781 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nccn2C)C1 ZINC001278765627 808194308 /nfs/dbraw/zinc/19/43/08/808194308.db2.gz BJPFMITWJGFDNY-HNNXBMFYSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nccn2C)C1 ZINC001278765627 808194313 /nfs/dbraw/zinc/19/43/13/808194313.db2.gz BJPFMITWJGFDNY-HNNXBMFYSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781571 808231639 /nfs/dbraw/zinc/23/16/39/808231639.db2.gz KNGBVFZHUTYGSH-WCBMZHEXSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781571 808231644 /nfs/dbraw/zinc/23/16/44/808231644.db2.gz KNGBVFZHUTYGSH-WCBMZHEXSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278781571 808231650 /nfs/dbraw/zinc/23/16/50/808231650.db2.gz KNGBVFZHUTYGSH-WCBMZHEXSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278781571 808231654 /nfs/dbraw/zinc/23/16/54/808231654.db2.gz KNGBVFZHUTYGSH-WCBMZHEXSA-N 1 2 284.253 0.626 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCC(C)C)C1 ZINC001278832954 808306383 /nfs/dbraw/zinc/30/63/83/808306383.db2.gz FXPZXHZTYSWEPI-UHFFFAOYSA-N 1 2 252.358 0.609 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC(F)(F)C(F)F)C1 ZINC001278907879 808465946 /nfs/dbraw/zinc/46/59/46/808465946.db2.gz SRADNMDMLWHUTH-UHFFFAOYSA-N 1 2 296.264 0.463 20 30 CCEDLO C=CC[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC001256345547 808508734 /nfs/dbraw/zinc/50/87/34/808508734.db2.gz BEERUTWITFSNMO-GFCCVEGCSA-N 1 2 279.340 0.977 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007463 815222864 /nfs/dbraw/zinc/22/28/64/815222864.db2.gz AMKCEGQXXBZHJL-RWMBFGLXSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007463 815222870 /nfs/dbraw/zinc/22/28/70/815222870.db2.gz AMKCEGQXXBZHJL-RWMBFGLXSA-N 1 2 298.408 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](O)C1 ZINC001083531003 815226616 /nfs/dbraw/zinc/22/66/16/815226616.db2.gz QBYSLZMPPCBUES-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](O)C1 ZINC001083531003 815226618 /nfs/dbraw/zinc/22/66/18/815226618.db2.gz QBYSLZMPPCBUES-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC001261279129 808943645 /nfs/dbraw/zinc/94/36/45/808943645.db2.gz ODONGQMVNQBLHB-UHFFFAOYSA-N 1 2 261.329 0.393 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC1 ZINC001262191221 809233260 /nfs/dbraw/zinc/23/32/60/809233260.db2.gz NMYITUGCQOVTRQ-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC1 ZINC001262191221 809233266 /nfs/dbraw/zinc/23/32/66/809233266.db2.gz NMYITUGCQOVTRQ-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C(COC)COC)n1 ZINC001262277327 809264230 /nfs/dbraw/zinc/26/42/30/809264230.db2.gz FIWPETCLDPWZFQ-UHFFFAOYSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C(COC)COC)n1 ZINC001262277327 809264235 /nfs/dbraw/zinc/26/42/35/809264235.db2.gz FIWPETCLDPWZFQ-UHFFFAOYSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCN(CC#C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001262851916 809415815 /nfs/dbraw/zinc/41/58/15/809415815.db2.gz YNBLGOVIHVVRNI-UHFFFAOYSA-N 1 2 268.324 0.212 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1CC(N)=O ZINC001264699754 809672920 /nfs/dbraw/zinc/67/29/20/809672920.db2.gz DQMUTCGIWFIENG-MNOVXSKESA-N 1 2 265.357 0.100 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1CC(N)=O ZINC001264699754 809672925 /nfs/dbraw/zinc/67/29/25/809672925.db2.gz DQMUTCGIWFIENG-MNOVXSKESA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001265212744 809725063 /nfs/dbraw/zinc/72/50/63/809725063.db2.gz FHCIFPOPYLDWOR-OLZOCXBDSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001265212744 809725064 /nfs/dbraw/zinc/72/50/64/809725064.db2.gz FHCIFPOPYLDWOR-OLZOCXBDSA-N 1 2 277.368 0.115 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001265220365 809726596 /nfs/dbraw/zinc/72/65/96/809726596.db2.gz KVLZXAUVEUWALG-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001265220365 809726601 /nfs/dbraw/zinc/72/66/01/809726601.db2.gz KVLZXAUVEUWALG-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO CC[C@@H](C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265258918 809733277 /nfs/dbraw/zinc/73/32/77/809733277.db2.gz SSCXSEADGBIQCU-CYBMUJFWSA-N 1 2 266.389 0.680 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCC)C1 ZINC001265270217 809738258 /nfs/dbraw/zinc/73/82/58/809738258.db2.gz BCQJJXCNBOFRQC-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C1 ZINC001265270217 809738264 /nfs/dbraw/zinc/73/82/64/809738264.db2.gz BCQJJXCNBOFRQC-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](NC(C)=O)C(C)C ZINC001265414392 809773978 /nfs/dbraw/zinc/77/39/78/809773978.db2.gz IGXZZKANFNFPLG-QLFBSQMISA-N 1 2 291.395 0.456 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](NC(C)=O)C(C)C ZINC001265414392 809773979 /nfs/dbraw/zinc/77/39/79/809773979.db2.gz IGXZZKANFNFPLG-QLFBSQMISA-N 1 2 291.395 0.456 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001266221439 809967489 /nfs/dbraw/zinc/96/74/89/809967489.db2.gz AUUHCZUARLXIPS-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001266221439 809967501 /nfs/dbraw/zinc/96/75/01/809967501.db2.gz AUUHCZUARLXIPS-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1 ZINC001076658723 815334771 /nfs/dbraw/zinc/33/47/71/815334771.db2.gz LLSQCNFYYLVPNC-VXGBXAGGSA-N 1 2 295.289 0.485 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1 ZINC001076658723 815334777 /nfs/dbraw/zinc/33/47/77/815334777.db2.gz LLSQCNFYYLVPNC-VXGBXAGGSA-N 1 2 295.289 0.485 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001076843277 815394268 /nfs/dbraw/zinc/39/42/68/815394268.db2.gz CWESXCUBROMMJT-GHMZBOCLSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001076843277 815394274 /nfs/dbraw/zinc/39/42/74/815394274.db2.gz CWESXCUBROMMJT-GHMZBOCLSA-N 1 2 264.369 0.463 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267275151 811079419 /nfs/dbraw/zinc/07/94/19/811079419.db2.gz UPYFPSPBLUWKDD-JTQLQIEISA-N 1 2 285.775 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267275151 811079428 /nfs/dbraw/zinc/07/94/28/811079428.db2.gz UPYFPSPBLUWKDD-JTQLQIEISA-N 1 2 285.775 0.585 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038270874 811122267 /nfs/dbraw/zinc/12/22/67/811122267.db2.gz YTJKVBZOAZAVEM-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038270874 811122276 /nfs/dbraw/zinc/12/22/76/811122276.db2.gz YTJKVBZOAZAVEM-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO CN(CC[NH2+]Cc1nncs1)C(=O)c1ccc(C#N)[nH]1 ZINC001267364642 811216104 /nfs/dbraw/zinc/21/61/04/811216104.db2.gz QKBOODFXTGRMRU-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C=C(Cl)C[NH2+]CCN(C)C(=O)CCc1cnn[nH]1 ZINC001267430861 811303224 /nfs/dbraw/zinc/30/32/24/811303224.db2.gz XOGXIFAFMJBXKV-UHFFFAOYSA-N 1 2 271.752 0.538 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001077047779 815438586 /nfs/dbraw/zinc/43/85/86/815438586.db2.gz SUEBAENFOUYLEF-RRFJBIMHSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001077047779 815438589 /nfs/dbraw/zinc/43/85/89/815438589.db2.gz SUEBAENFOUYLEF-RRFJBIMHSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCOC3)[C@H]2C1 ZINC001083277908 811487197 /nfs/dbraw/zinc/48/71/97/811487197.db2.gz YAFXDGZCTDKJBD-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCOC3)[C@H]2C1 ZINC001083277908 811487202 /nfs/dbraw/zinc/48/72/02/811487202.db2.gz YAFXDGZCTDKJBD-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO CC[C@H](C[NH+]1CC(NC(=O)CSCC#N)C1)OC ZINC001267637751 811598819 /nfs/dbraw/zinc/59/88/19/811598819.db2.gz ZMFTXTCWPMNHDF-LLVKDONJSA-N 1 2 271.386 0.469 20 30 CCEDLO C=CCCOCC(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001267671330 811634585 /nfs/dbraw/zinc/63/45/85/811634585.db2.gz BICSTKVEDSXYOV-NSHDSACASA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C=C2CCC2)C1 ZINC001267679336 811643531 /nfs/dbraw/zinc/64/35/31/811643531.db2.gz ZQJSBQGOKWKMQK-UHFFFAOYSA-N 1 2 277.368 0.447 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001267681590 811646385 /nfs/dbraw/zinc/64/63/85/811646385.db2.gz OBHLJGWNCYTDGL-LLVKDONJSA-N 1 2 270.760 0.825 20 30 CCEDLO C=C(C)CCC(=O)NCC1C[NH+](CC(=O)NCCC)C1 ZINC001267683139 811648585 /nfs/dbraw/zinc/64/85/85/811648585.db2.gz IDQIVNKYBPUWTH-UHFFFAOYSA-N 1 2 281.400 0.917 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001267718118 811680767 /nfs/dbraw/zinc/68/07/67/811680767.db2.gz ZAWSBHFQBNKHAB-NEPJUHHUSA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001267718118 811680770 /nfs/dbraw/zinc/68/07/70/811680770.db2.gz ZAWSBHFQBNKHAB-NEPJUHHUSA-N 1 2 291.351 0.774 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001077212254 815462790 /nfs/dbraw/zinc/46/27/90/815462790.db2.gz VPZUHOMOYALGOY-RAIGVLPGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001077212254 815462793 /nfs/dbraw/zinc/46/27/93/815462793.db2.gz VPZUHOMOYALGOY-RAIGVLPGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001267734435 811703964 /nfs/dbraw/zinc/70/39/64/811703964.db2.gz IYHOKSJAQHBYCA-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001267734435 811703969 /nfs/dbraw/zinc/70/39/69/811703969.db2.gz IYHOKSJAQHBYCA-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001267740477 811722536 /nfs/dbraw/zinc/72/25/36/811722536.db2.gz HWHKLNLVMUAMRA-IUODEOHRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001267740477 811722545 /nfs/dbraw/zinc/72/25/45/811722545.db2.gz HWHKLNLVMUAMRA-IUODEOHRSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001125935363 811890801 /nfs/dbraw/zinc/89/08/01/811890801.db2.gz YBLVIEYSJFJVDO-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001125967360 811949856 /nfs/dbraw/zinc/94/98/56/811949856.db2.gz SPUUBYINWCPWHT-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001077390369 815492303 /nfs/dbraw/zinc/49/23/03/815492303.db2.gz QDXXYWLEXQWSEF-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001077390369 815492307 /nfs/dbraw/zinc/49/23/07/815492307.db2.gz QDXXYWLEXQWSEF-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001077392523 815492330 /nfs/dbraw/zinc/49/23/30/815492330.db2.gz FIYOKMBEHABQFX-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001077392523 815492331 /nfs/dbraw/zinc/49/23/31/815492331.db2.gz FIYOKMBEHABQFX-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001268022965 811975508 /nfs/dbraw/zinc/97/55/08/811975508.db2.gz AWTNFJQGIDXVSQ-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001268022965 811975509 /nfs/dbraw/zinc/97/55/09/811975509.db2.gz AWTNFJQGIDXVSQ-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001268025545 811993664 /nfs/dbraw/zinc/99/36/64/811993664.db2.gz QRIDCTRWAMFKTO-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001268025545 811993666 /nfs/dbraw/zinc/99/36/66/811993666.db2.gz QRIDCTRWAMFKTO-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@H](OC)C1 ZINC001212129251 815506658 /nfs/dbraw/zinc/50/66/58/815506658.db2.gz NCRPVJOIMNCVGT-UTUOFQBUSA-N 1 2 270.398 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@H](OC)C1 ZINC001212129251 815506659 /nfs/dbraw/zinc/50/66/59/815506659.db2.gz NCRPVJOIMNCVGT-UTUOFQBUSA-N 1 2 270.398 0.577 20 30 CCEDLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CNCC#N ZINC001268196823 812357474 /nfs/dbraw/zinc/35/74/74/812357474.db2.gz FPANQYBVQLZMAA-STQMWFEESA-N 1 2 275.356 0.623 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001042879050 815528148 /nfs/dbraw/zinc/52/81/48/815528148.db2.gz TXGFLXMYXHCAOM-UHFFFAOYSA-N 1 2 276.384 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C(C)(C)C ZINC001268983662 813169383 /nfs/dbraw/zinc/16/93/83/813169383.db2.gz DLAUZFIVALUQLX-RYUDHWBXSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C(C)(C)C ZINC001268983662 813169387 /nfs/dbraw/zinc/16/93/87/813169387.db2.gz DLAUZFIVALUQLX-RYUDHWBXSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C1 ZINC001269134716 813233609 /nfs/dbraw/zinc/23/36/09/813233609.db2.gz ROUJABDPKGRGMJ-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C1 ZINC001269134716 813233612 /nfs/dbraw/zinc/23/36/12/813233612.db2.gz ROUJABDPKGRGMJ-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001269227532 813277917 /nfs/dbraw/zinc/27/79/17/813277917.db2.gz NGZJYUDFNCOMCN-LLVKDONJSA-N 1 2 250.342 0.768 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001269227532 813277920 /nfs/dbraw/zinc/27/79/20/813277920.db2.gz NGZJYUDFNCOMCN-LLVKDONJSA-N 1 2 250.342 0.768 20 30 CCEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001269469183 813381073 /nfs/dbraw/zinc/38/10/73/813381073.db2.gz STWOWHVIBHJOOT-UHFFFAOYSA-N 1 2 290.371 0.142 20 30 CCEDLO C=CCN1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001269568654 813424611 /nfs/dbraw/zinc/42/46/11/813424611.db2.gz AMAXXBUPXNJWSC-OAHLLOKOSA-N 1 2 288.351 0.589 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001270682192 813893270 /nfs/dbraw/zinc/89/32/70/813893270.db2.gz JPYHLBPGDOIEEA-WFASDCNBSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001270682192 813893283 /nfs/dbraw/zinc/89/32/83/813893283.db2.gz JPYHLBPGDOIEEA-WFASDCNBSA-N 1 2 295.383 0.048 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnn1C ZINC001029245639 814014180 /nfs/dbraw/zinc/01/41/80/814014180.db2.gz YPUCYJHTQPGYDB-FPMFFAJLSA-N 1 2 287.367 0.755 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnn1C ZINC001029245639 814014187 /nfs/dbraw/zinc/01/41/87/814014187.db2.gz YPUCYJHTQPGYDB-FPMFFAJLSA-N 1 2 287.367 0.755 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001038451508 814290308 /nfs/dbraw/zinc/29/03/08/814290308.db2.gz RWALWGUCBUIXJJ-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001038451508 814290311 /nfs/dbraw/zinc/29/03/11/814290311.db2.gz RWALWGUCBUIXJJ-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001271282470 814366680 /nfs/dbraw/zinc/36/66/80/814366680.db2.gz XNANWVSGWFDDST-CYBMUJFWSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001271349923 814388126 /nfs/dbraw/zinc/38/81/26/814388126.db2.gz LATKXYFOMKDZEW-UHFFFAOYSA-N 1 2 264.369 0.916 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001042555794 814437055 /nfs/dbraw/zinc/43/70/55/814437055.db2.gz ILJMRARROQTIGD-UHFFFAOYSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CCC=C ZINC001280405667 814474997 /nfs/dbraw/zinc/47/49/97/814474997.db2.gz DBAZOVAERIJTLG-ZIAGYGMSSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CCC=C ZINC001280405667 814475000 /nfs/dbraw/zinc/47/50/00/814475000.db2.gz DBAZOVAERIJTLG-ZIAGYGMSSA-N 1 2 280.368 0.418 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271559892 814477566 /nfs/dbraw/zinc/47/75/66/814477566.db2.gz FUUQOGPKBBJFQG-RYUDHWBXSA-N 1 2 261.329 0.233 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 ZINC001211909470 814733412 /nfs/dbraw/zinc/73/34/12/814733412.db2.gz WVSHUAPEEABSEI-GMTAPVOTSA-N 1 2 256.371 0.187 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 ZINC001211909470 814733417 /nfs/dbraw/zinc/73/34/17/814733417.db2.gz WVSHUAPEEABSEI-GMTAPVOTSA-N 1 2 256.371 0.187 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001030147040 815835072 /nfs/dbraw/zinc/83/50/72/815835072.db2.gz AIFWMYXJYACELK-WDEREUQCSA-N 1 2 252.314 0.172 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105806274 815857258 /nfs/dbraw/zinc/85/72/58/815857258.db2.gz TXONLYBCFUPEOW-BXUZGUMPSA-N 1 2 294.355 0.001 20 30 CCEDLO Cn1nccc1CC[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030235505 815917063 /nfs/dbraw/zinc/91/70/63/815917063.db2.gz ZKHBZZYEMAGUNL-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001077459071 815945657 /nfs/dbraw/zinc/94/56/57/815945657.db2.gz QZSGLQDVZMCNCB-CHWSQXEVSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001077459071 815945662 /nfs/dbraw/zinc/94/56/62/815945662.db2.gz QZSGLQDVZMCNCB-CHWSQXEVSA-N 1 2 262.353 0.361 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1CC#N ZINC000947757607 815946381 /nfs/dbraw/zinc/94/63/81/815946381.db2.gz CIUUCOIYSMQMNM-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2CC(F)F)C1 ZINC001030310681 815971604 /nfs/dbraw/zinc/97/16/04/815971604.db2.gz PFVQSBHDSOBEIB-UHFFFAOYSA-N 1 2 282.294 0.586 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030331524 815978726 /nfs/dbraw/zinc/97/87/26/815978726.db2.gz HZSGXEBYKLQZAM-BNOWGMLFSA-N 1 2 282.384 0.803 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001030378869 816003430 /nfs/dbraw/zinc/00/34/30/816003430.db2.gz KLLXYHBLUZGKCU-UHFFFAOYSA-N 1 2 298.346 0.913 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2CCC3)C1 ZINC001030407271 816019512 /nfs/dbraw/zinc/01/95/12/816019512.db2.gz DWOGJYNTAGXDAJ-UHFFFAOYSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3cccnc3n2)C1 ZINC001030606271 816143994 /nfs/dbraw/zinc/14/39/94/816143994.db2.gz DXCMDTKHLIWKEH-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cn(C)ccc2=O)C1 ZINC001030657456 816188377 /nfs/dbraw/zinc/18/83/77/816188377.db2.gz DJNVRNWTBWFLEK-UHFFFAOYSA-N 1 2 261.325 0.375 20 30 CCEDLO CC(C)(F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001045996351 816263234 /nfs/dbraw/zinc/26/32/34/816263234.db2.gz FNAULUHZLFZVTJ-LBPRGKRZSA-N 1 2 282.363 0.477 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001030764119 816274493 /nfs/dbraw/zinc/27/44/93/816274493.db2.gz DSWDGLRMJBORKP-UHFFFAOYSA-N 1 2 297.362 0.783 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001030771969 816280095 /nfs/dbraw/zinc/28/00/95/816280095.db2.gz HBJFERUQMDZTMT-UHFFFAOYSA-N 1 2 290.367 0.387 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001030969313 816515368 /nfs/dbraw/zinc/51/53/68/816515368.db2.gz ABCUTTOBONHQCX-UHFFFAOYSA-N 1 2 289.383 0.533 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001031115765 816659747 /nfs/dbraw/zinc/65/97/47/816659747.db2.gz OOJRTOPWFVDJIR-SNVBAGLBSA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@@H](O)C1 ZINC001083737604 816888575 /nfs/dbraw/zinc/88/85/75/816888575.db2.gz MLIXCUFAXXNYPG-OLZOCXBDSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@@H](O)C1 ZINC001083737604 816888579 /nfs/dbraw/zinc/88/85/79/816888579.db2.gz MLIXCUFAXXNYPG-OLZOCXBDSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2cc3ccccc3n2)C1 ZINC001031271852 816918386 /nfs/dbraw/zinc/91/83/86/816918386.db2.gz ZUFRSTGZLJBDKA-UHFFFAOYSA-N 1 2 282.347 0.860 20 30 CCEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNCC#N ZINC001106874602 816971346 /nfs/dbraw/zinc/97/13/46/816971346.db2.gz MDAVAZAVFIHRKQ-VXGBXAGGSA-N 1 2 289.383 0.895 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001031358480 816998666 /nfs/dbraw/zinc/99/86/66/816998666.db2.gz NATHPRVLVKTGGZ-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001127605154 817334358 /nfs/dbraw/zinc/33/43/58/817334358.db2.gz SSGROGOMYDFAKV-NEPJUHHUSA-N 1 2 294.355 0.565 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001031802486 817379049 /nfs/dbraw/zinc/37/90/49/817379049.db2.gz OMARWEACFXOYFX-PWSUYJOCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001124483229 817486584 /nfs/dbraw/zinc/48/65/84/817486584.db2.gz LEAOOKKPSHTXAC-SNVBAGLBSA-N 1 2 282.344 0.565 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)NC)C2)CC1 ZINC001031950684 817488109 /nfs/dbraw/zinc/48/81/09/817488109.db2.gz SGVRBMOSBQGFBX-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001124773081 817571356 /nfs/dbraw/zinc/57/13/56/817571356.db2.gz MSJAVNAADSMXOQ-UHFFFAOYSA-N 1 2 296.371 0.776 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001124889728 817617038 /nfs/dbraw/zinc/61/70/38/817617038.db2.gz UDCRIVDMJUSGBO-SECBINFHSA-N 1 2 289.295 0.695 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124889499 817617461 /nfs/dbraw/zinc/61/74/61/817617461.db2.gz QXUUIXIQQRKJIG-QMMMGPOBSA-N 1 2 263.301 0.312 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124909030 817632355 /nfs/dbraw/zinc/63/23/55/817632355.db2.gz XZZVNBQARRZWGS-IUCAKERBSA-N 1 2 265.317 0.558 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC)nn2)C1 ZINC001107129630 817781843 /nfs/dbraw/zinc/78/18/43/817781843.db2.gz ICHUKFSZRDYSJF-UHFFFAOYSA-N 1 2 289.383 0.965 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCC=C)nn2)C1 ZINC001107143009 817792880 /nfs/dbraw/zinc/79/28/80/817792880.db2.gz ZIKXOVJVDJJPFL-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO N#Cc1cncc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)n1 ZINC001107240168 817817051 /nfs/dbraw/zinc/81/70/51/817817051.db2.gz IINMNJAXGGSXIM-OWOJBTEDSA-N 1 2 297.322 0.329 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001077637148 817900560 /nfs/dbraw/zinc/90/05/60/817900560.db2.gz BLJGQTRNOJTYDB-NXEZZACHSA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001077637148 817900566 /nfs/dbraw/zinc/90/05/66/817900566.db2.gz BLJGQTRNOJTYDB-NXEZZACHSA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001077662960 817960123 /nfs/dbraw/zinc/96/01/23/817960123.db2.gz BIVJEHBEKLPUND-IJLUTSLNSA-N 1 2 262.309 0.178 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001077662960 817960131 /nfs/dbraw/zinc/96/01/31/817960131.db2.gz BIVJEHBEKLPUND-IJLUTSLNSA-N 1 2 262.309 0.178 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)on2)C1 ZINC001107719817 817964220 /nfs/dbraw/zinc/96/42/20/817964220.db2.gz IDDKLAXMMYHZKW-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)on2)C1 ZINC001107719817 817964226 /nfs/dbraw/zinc/96/42/26/817964226.db2.gz IDDKLAXMMYHZKW-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCC)C1 ZINC001107762807 817991625 /nfs/dbraw/zinc/99/16/25/817991625.db2.gz WUMATWFMCNOHHX-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCC)C1 ZINC001107762807 817991627 /nfs/dbraw/zinc/99/16/27/817991627.db2.gz WUMATWFMCNOHHX-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777796 817998029 /nfs/dbraw/zinc/99/80/29/817998029.db2.gz WOWBXLFGUDBHEF-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777796 817998033 /nfs/dbraw/zinc/99/80/33/817998033.db2.gz WOWBXLFGUDBHEF-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107777194 817999064 /nfs/dbraw/zinc/99/90/64/817999064.db2.gz IVPRSONPLMRAPD-DGCLKSJQSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107777194 817999070 /nfs/dbraw/zinc/99/90/70/817999070.db2.gz IVPRSONPLMRAPD-DGCLKSJQSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107818707 818032352 /nfs/dbraw/zinc/03/23/52/818032352.db2.gz DRXGEIYMJRTWLA-YPMHNXCESA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107818707 818032344 /nfs/dbraw/zinc/03/23/44/818032344.db2.gz DRXGEIYMJRTWLA-YPMHNXCESA-N 1 2 251.330 0.539 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001032817684 818061524 /nfs/dbraw/zinc/06/15/24/818061524.db2.gz BCWHJQFRJJZYQJ-KBPBESRZSA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001032817684 818061529 /nfs/dbraw/zinc/06/15/29/818061529.db2.gz BCWHJQFRJJZYQJ-KBPBESRZSA-N 1 2 286.379 0.905 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983850 818170119 /nfs/dbraw/zinc/17/01/19/818170119.db2.gz OYMMVLSNQYNPKO-HTQZYQBOSA-N 1 2 268.691 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983850 818170122 /nfs/dbraw/zinc/17/01/22/818170122.db2.gz OYMMVLSNQYNPKO-HTQZYQBOSA-N 1 2 268.691 0.555 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001044022182 818220743 /nfs/dbraw/zinc/22/07/43/818220743.db2.gz GKZHUAKHQHFECF-NSHDSACASA-N 1 2 293.371 0.255 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032934373 818377509 /nfs/dbraw/zinc/37/75/09/818377509.db2.gz MALUJSYBMZSNFH-VIFPVBQESA-N 1 2 252.343 0.870 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032934373 818377513 /nfs/dbraw/zinc/37/75/13/818377513.db2.gz MALUJSYBMZSNFH-VIFPVBQESA-N 1 2 252.343 0.870 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090089927 818492153 /nfs/dbraw/zinc/49/21/53/818492153.db2.gz BRGCBAKVMIVBDT-GHMZBOCLSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090089927 818492159 /nfs/dbraw/zinc/49/21/59/818492159.db2.gz BRGCBAKVMIVBDT-GHMZBOCLSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090100920 818517140 /nfs/dbraw/zinc/51/71/40/818517140.db2.gz AGCGVNMNQOYLQB-JQWIXIFHSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H](O)C1 ZINC001090100920 818517147 /nfs/dbraw/zinc/51/71/47/818517147.db2.gz AGCGVNMNQOYLQB-JQWIXIFHSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001033219443 818659366 /nfs/dbraw/zinc/65/93/66/818659366.db2.gz BHDHDZOKHSVACF-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001033219443 818659368 /nfs/dbraw/zinc/65/93/68/818659368.db2.gz BHDHDZOKHSVACF-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnco2)C1 ZINC001108104625 818709008 /nfs/dbraw/zinc/70/90/08/818709008.db2.gz IOLBUECPTPGEBD-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnco2)C1 ZINC001108104625 818709011 /nfs/dbraw/zinc/70/90/11/818709011.db2.gz IOLBUECPTPGEBD-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504560 818798307 /nfs/dbraw/zinc/79/83/07/818798307.db2.gz IGAFJQRVSZQWBD-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504560 818798314 /nfs/dbraw/zinc/79/83/14/818798314.db2.gz IGAFJQRVSZQWBD-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516407 818811530 /nfs/dbraw/zinc/81/15/30/818811530.db2.gz UZDSXFWWRQHXHN-SECBINFHSA-N 1 2 269.736 0.704 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516407 818811536 /nfs/dbraw/zinc/81/15/36/818811536.db2.gz UZDSXFWWRQHXHN-SECBINFHSA-N 1 2 269.736 0.704 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108128512 819219747 /nfs/dbraw/zinc/21/97/47/819219747.db2.gz CGMLLRZQOAHYQW-JSGCOSHPSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108128512 819219754 /nfs/dbraw/zinc/21/97/54/819219754.db2.gz CGMLLRZQOAHYQW-JSGCOSHPSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108160720 819333863 /nfs/dbraw/zinc/33/38/63/819333863.db2.gz RWFYSFSKOPLPAS-GJZGRUSLSA-N 1 2 298.358 0.345 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108160720 819333873 /nfs/dbraw/zinc/33/38/73/819333873.db2.gz RWFYSFSKOPLPAS-GJZGRUSLSA-N 1 2 298.358 0.345 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108160719 819334158 /nfs/dbraw/zinc/33/41/58/819334158.db2.gz RWFYSFSKOPLPAS-CABCVRRESA-N 1 2 298.358 0.345 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108160719 819334162 /nfs/dbraw/zinc/33/41/62/819334162.db2.gz RWFYSFSKOPLPAS-CABCVRRESA-N 1 2 298.358 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001035269316 819433497 /nfs/dbraw/zinc/43/34/97/819433497.db2.gz FIDPDRYUMSFQQS-ZDUSSCGKSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001035269316 819433503 /nfs/dbraw/zinc/43/35/03/819433503.db2.gz FIDPDRYUMSFQQS-ZDUSSCGKSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297593 819440702 /nfs/dbraw/zinc/44/07/02/819440702.db2.gz CFXMTQCGQUAFEX-GFCCVEGCSA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297593 819440704 /nfs/dbraw/zinc/44/07/04/819440704.db2.gz CFXMTQCGQUAFEX-GFCCVEGCSA-N 1 2 278.356 0.589 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001035285624 819449772 /nfs/dbraw/zinc/44/97/72/819449772.db2.gz CNFPQQHTNDKIID-LLVKDONJSA-N 1 2 294.380 0.300 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001035285624 819449776 /nfs/dbraw/zinc/44/97/76/819449776.db2.gz CNFPQQHTNDKIID-LLVKDONJSA-N 1 2 294.380 0.300 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035312430 819462999 /nfs/dbraw/zinc/46/29/99/819462999.db2.gz JEPMTLHDJOLMIR-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035312430 819463004 /nfs/dbraw/zinc/46/30/04/819463004.db2.gz JEPMTLHDJOLMIR-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035324567 819472898 /nfs/dbraw/zinc/47/28/98/819472898.db2.gz SRPZUJNDLVPIDX-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035324567 819472902 /nfs/dbraw/zinc/47/29/02/819472902.db2.gz SRPZUJNDLVPIDX-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129170619 819493634 /nfs/dbraw/zinc/49/36/34/819493634.db2.gz XXAKBMLWBBLSFC-XQQFMLRXSA-N 1 2 293.346 0.391 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129170619 819493637 /nfs/dbraw/zinc/49/36/37/819493637.db2.gz XXAKBMLWBBLSFC-XQQFMLRXSA-N 1 2 293.346 0.391 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035451177 819526771 /nfs/dbraw/zinc/52/67/71/819526771.db2.gz YIGLAPXMIYMHNV-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035451177 819526777 /nfs/dbraw/zinc/52/67/77/819526777.db2.gz YIGLAPXMIYMHNV-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001035463615 819536929 /nfs/dbraw/zinc/53/69/29/819536929.db2.gz KIKLZCMNXBGSFM-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001035463615 819536932 /nfs/dbraw/zinc/53/69/32/819536932.db2.gz KIKLZCMNXBGSFM-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035533940 819558575 /nfs/dbraw/zinc/55/85/75/819558575.db2.gz RHFYWYDMMARBPU-RYUDHWBXSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035533940 819558581 /nfs/dbraw/zinc/55/85/81/819558581.db2.gz RHFYWYDMMARBPU-RYUDHWBXSA-N 1 2 250.342 0.790 20 30 CCEDLO N#Cc1nccc2cc(-n3[nH]c(=O)nc3C[NH3+])ccc21 ZINC001168762070 819982989 /nfs/dbraw/zinc/98/29/89/819982989.db2.gz AQPYYYTVBRUUAV-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@@H](O)C1 ZINC001083923461 820275188 /nfs/dbraw/zinc/27/51/88/820275188.db2.gz CGRCVWODYHMYQA-APPZFPTMSA-N 1 2 285.756 0.205 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@@H](O)C1 ZINC001083923461 820275195 /nfs/dbraw/zinc/27/51/95/820275195.db2.gz CGRCVWODYHMYQA-APPZFPTMSA-N 1 2 285.756 0.205 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001080027548 820503513 /nfs/dbraw/zinc/50/35/13/820503513.db2.gz OBKYCSLLBSAEJC-BXUZGUMPSA-N 1 2 286.379 0.972 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001080027548 820503519 /nfs/dbraw/zinc/50/35/19/820503519.db2.gz OBKYCSLLBSAEJC-BXUZGUMPSA-N 1 2 286.379 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080647084 820613037 /nfs/dbraw/zinc/61/30/37/820613037.db2.gz DPSRDSSSEQDXDJ-GMSGAONNSA-N 1 2 270.720 0.872 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080647084 820613042 /nfs/dbraw/zinc/61/30/42/820613042.db2.gz DPSRDSSSEQDXDJ-GMSGAONNSA-N 1 2 270.720 0.872 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@H](OC)C1 ZINC001081438111 820773774 /nfs/dbraw/zinc/77/37/74/820773774.db2.gz UTUFUWTXWAZRQZ-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@H](OC)C1 ZINC001081438111 820773781 /nfs/dbraw/zinc/77/37/81/820773781.db2.gz UTUFUWTXWAZRQZ-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@H](OC)C1 ZINC001081922089 820864047 /nfs/dbraw/zinc/86/40/47/820864047.db2.gz NZFLXDBDKXRQPA-DGCLKSJQSA-N 1 2 295.770 0.741 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@H](OC)C1 ZINC001081922089 820864058 /nfs/dbraw/zinc/86/40/58/820864058.db2.gz NZFLXDBDKXRQPA-DGCLKSJQSA-N 1 2 295.770 0.741 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@H](OC)C1 ZINC001082236134 820919934 /nfs/dbraw/zinc/91/99/34/820919934.db2.gz BTISTTOAWPYAKF-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@H](OC)C1 ZINC001082236134 820919939 /nfs/dbraw/zinc/91/99/39/820919939.db2.gz BTISTTOAWPYAKF-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001082772557 821031850 /nfs/dbraw/zinc/03/18/50/821031850.db2.gz UPSOWDOGVRIGEC-FRRDWIJNSA-N 1 2 275.356 0.794 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3)[C@H]2C1 ZINC001083049441 821125972 /nfs/dbraw/zinc/12/59/72/821125972.db2.gz SFIRQOHMYPVFNL-UONOGXRCSA-N 1 2 273.336 0.184 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3)[C@H]2C1 ZINC001083049441 821125979 /nfs/dbraw/zinc/12/59/79/821125979.db2.gz SFIRQOHMYPVFNL-UONOGXRCSA-N 1 2 273.336 0.184 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)o3)[C@H]2C1 ZINC001083055215 821128691 /nfs/dbraw/zinc/12/86/91/821128691.db2.gz HWXNYWNVAAXDBG-LSDHHAIUSA-N 1 2 288.347 0.675 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)o3)[C@H]2C1 ZINC001083055215 821128698 /nfs/dbraw/zinc/12/86/98/821128698.db2.gz HWXNYWNVAAXDBG-LSDHHAIUSA-N 1 2 288.347 0.675 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncnc3)[C@H]2C1 ZINC001083059057 821131990 /nfs/dbraw/zinc/13/19/90/821131990.db2.gz LOKOICYHUCWKOD-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncnc3)[C@H]2C1 ZINC001083059057 821131994 /nfs/dbraw/zinc/13/19/94/821131994.db2.gz LOKOICYHUCWKOD-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO C[C@@H]1C(=O)NCCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166562064 821148874 /nfs/dbraw/zinc/14/88/74/821148874.db2.gz YQUASEXFAQLESS-MRVPVSSYSA-N 1 2 255.281 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(=O)[nH]3)[C@H]2C1 ZINC001083170740 821152200 /nfs/dbraw/zinc/15/22/00/821152200.db2.gz SEFDMZXZOGMACB-WDEREUQCSA-N 1 2 293.348 0.007 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(=O)[nH]3)[C@H]2C1 ZINC001083170740 821152209 /nfs/dbraw/zinc/15/22/09/821152209.db2.gz SEFDMZXZOGMACB-WDEREUQCSA-N 1 2 293.348 0.007 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(C)n3)[C@H]2C1 ZINC001083174110 821156669 /nfs/dbraw/zinc/15/66/69/821156669.db2.gz RKZJFTFHVLIPMB-QWHCGFSZSA-N 1 2 291.376 0.610 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(C)n3)[C@H]2C1 ZINC001083174110 821156676 /nfs/dbraw/zinc/15/66/76/821156676.db2.gz RKZJFTFHVLIPMB-QWHCGFSZSA-N 1 2 291.376 0.610 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001083960608 821173950 /nfs/dbraw/zinc/17/39/50/821173950.db2.gz MMNQZIUIISCBDY-CABCVRRESA-N 1 2 289.379 0.621 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001083960608 821173952 /nfs/dbraw/zinc/17/39/52/821173952.db2.gz MMNQZIUIISCBDY-CABCVRRESA-N 1 2 289.379 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](O)C1 ZINC001083972733 821175994 /nfs/dbraw/zinc/17/59/94/821175994.db2.gz HKEFCPZFXIXRRI-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](O)C1 ZINC001083972733 821175997 /nfs/dbraw/zinc/17/59/97/821175997.db2.gz HKEFCPZFXIXRRI-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001084237622 821250519 /nfs/dbraw/zinc/25/05/19/821250519.db2.gz WVBCOCVEEFGUGD-VXGBXAGGSA-N 1 2 262.353 0.768 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001084237622 821250529 /nfs/dbraw/zinc/25/05/29/821250529.db2.gz WVBCOCVEEFGUGD-VXGBXAGGSA-N 1 2 262.353 0.768 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461798 821293722 /nfs/dbraw/zinc/29/37/22/821293722.db2.gz RHXQPQNNTMPTGU-GZBFAFLISA-N 1 2 299.378 0.502 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001084574243 821314085 /nfs/dbraw/zinc/31/40/85/821314085.db2.gz WPINXBMHLZGFDN-YNEHKIRRSA-N 1 2 293.411 0.995 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001084574243 821314095 /nfs/dbraw/zinc/31/40/95/821314095.db2.gz WPINXBMHLZGFDN-YNEHKIRRSA-N 1 2 293.411 0.995 20 30 CCEDLO Cc1nc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)cc[nH+]1 ZINC001065973381 821601425 /nfs/dbraw/zinc/60/14/25/821601425.db2.gz FNYWHAZEGQLWHT-RTXFEEFZSA-N 1 2 285.351 0.839 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085521440 821766643 /nfs/dbraw/zinc/76/66/43/821766643.db2.gz OEOILGPYDMFJEE-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085521440 821766647 /nfs/dbraw/zinc/76/66/47/821766647.db2.gz OEOILGPYDMFJEE-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2nccnc2c1 ZINC001085645348 821870364 /nfs/dbraw/zinc/87/03/64/821870364.db2.gz RCIYBJGRQHWMOO-ZDUSSCGKSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2nccnc2c1 ZINC001085645348 821870370 /nfs/dbraw/zinc/87/03/70/821870370.db2.gz RCIYBJGRQHWMOO-ZDUSSCGKSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085665699 821886235 /nfs/dbraw/zinc/88/62/35/821886235.db2.gz ODJKAZUQGLAYJK-ZDUSSCGKSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085665699 821886244 /nfs/dbraw/zinc/88/62/44/821886244.db2.gz ODJKAZUQGLAYJK-ZDUSSCGKSA-N 1 2 283.335 0.737 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205607 821916131 /nfs/dbraw/zinc/91/61/31/821916131.db2.gz SFUUWQGAMIGSJM-CQSZACIVSA-N 1 2 282.359 0.967 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205607 821916140 /nfs/dbraw/zinc/91/61/40/821916140.db2.gz SFUUWQGAMIGSJM-CQSZACIVSA-N 1 2 282.359 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826248 821969469 /nfs/dbraw/zinc/96/94/69/821969469.db2.gz JTWNQEKFFBAOKS-FRRDWIJNSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826248 821969473 /nfs/dbraw/zinc/96/94/73/821969473.db2.gz JTWNQEKFFBAOKS-FRRDWIJNSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C ZINC001085876943 821992030 /nfs/dbraw/zinc/99/20/30/821992030.db2.gz OTGSHFMZDRYEMK-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C ZINC001085876943 821992040 /nfs/dbraw/zinc/99/20/40/821992040.db2.gz OTGSHFMZDRYEMK-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912230 822012727 /nfs/dbraw/zinc/01/27/27/822012727.db2.gz ZXNBBFLNLYALKT-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912230 822012737 /nfs/dbraw/zinc/01/27/37/822012737.db2.gz ZXNBBFLNLYALKT-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1COC ZINC001085921413 822014485 /nfs/dbraw/zinc/01/44/85/822014485.db2.gz BTDYLGJBOYMTIV-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1COC ZINC001085921413 822014496 /nfs/dbraw/zinc/01/44/96/822014496.db2.gz BTDYLGJBOYMTIV-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001085922630 822018723 /nfs/dbraw/zinc/01/87/23/822018723.db2.gz HJIBWWJKEYBKHB-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001085922630 822018733 /nfs/dbraw/zinc/01/87/33/822018733.db2.gz HJIBWWJKEYBKHB-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001085971449 822043976 /nfs/dbraw/zinc/04/39/76/822043976.db2.gz BYJPNVCXKXATMX-LBPRGKRZSA-N 1 2 260.341 0.590 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001085971449 822043985 /nfs/dbraw/zinc/04/39/85/822043985.db2.gz BYJPNVCXKXATMX-LBPRGKRZSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc2n1CCCC2 ZINC001085981118 822050638 /nfs/dbraw/zinc/05/06/38/822050638.db2.gz FNBDLDYYUDJWJQ-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc2n1CCCC2 ZINC001085981118 822050646 /nfs/dbraw/zinc/05/06/46/822050646.db2.gz FNBDLDYYUDJWJQ-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001108276681 822256529 /nfs/dbraw/zinc/25/65/29/822256529.db2.gz RMJVLJRADYUPHL-WFASDCNBSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001108276681 822256534 /nfs/dbraw/zinc/25/65/34/822256534.db2.gz RMJVLJRADYUPHL-WFASDCNBSA-N 1 2 295.383 0.048 20 30 CCEDLO Cc1nc(N(C)C)nc(NC[C@H](C)NC(=O)[C@@H](C)C#N)[nH+]1 ZINC001108292310 822326874 /nfs/dbraw/zinc/32/68/74/822326874.db2.gz ODIAWAJRIRJZQT-IUCAKERBSA-N 1 2 291.359 0.322 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001108303363 822348584 /nfs/dbraw/zinc/34/85/84/822348584.db2.gz VOPQDFAKKKMLJD-CQSZACIVSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001108303363 822348594 /nfs/dbraw/zinc/34/85/94/822348594.db2.gz VOPQDFAKKKMLJD-CQSZACIVSA-N 1 2 278.356 0.345 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108315677 822355642 /nfs/dbraw/zinc/35/56/42/822355642.db2.gz YGAPTZFJBCZYKM-GDBMZVCRSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108315677 822355649 /nfs/dbraw/zinc/35/56/49/822355649.db2.gz YGAPTZFJBCZYKM-GDBMZVCRSA-N 1 2 296.411 0.889 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(Cl)nc1C#N ZINC001157770989 837418998 /nfs/dbraw/zinc/41/89/98/837418998.db2.gz XNEHCIHQMSBXFY-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(Cl)nc1C#N ZINC001157770989 837419006 /nfs/dbraw/zinc/41/90/06/837419006.db2.gz XNEHCIHQMSBXFY-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)co1 ZINC001114256185 837490699 /nfs/dbraw/zinc/49/06/99/837490699.db2.gz VYEPRAANKRQBMB-FOLVSLTJSA-N 1 2 285.347 0.943 20 30 CCEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)co1 ZINC001114256185 837490701 /nfs/dbraw/zinc/49/07/01/837490701.db2.gz VYEPRAANKRQBMB-FOLVSLTJSA-N 1 2 285.347 0.943 20 30 CCEDLO N#Cc1c(N)nn(C(=O)CCc2ccc(N)[nH+]c2)c1N ZINC001183928834 844122210 /nfs/dbraw/zinc/12/22/10/844122210.db2.gz HYJPCVDNBVZBMR-UHFFFAOYSA-N 1 2 271.284 0.169 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC001169132757 836148494 /nfs/dbraw/zinc/14/84/94/836148494.db2.gz WTGXZOJNMXFROA-SKDRFNHKSA-N 1 2 290.279 0.782 20 30 CCEDLO C=CC[NH+]1CCN([C@H]2CCCN(C(C)=O)C2)CC1 ZINC001169615241 836400006 /nfs/dbraw/zinc/40/00/06/836400006.db2.gz OMCZDQJXIWGHIB-AWEZNQCLSA-N 1 2 251.374 0.801 20 30 CCEDLO CS(=O)(=O)C1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC001169889833 836468035 /nfs/dbraw/zinc/46/80/35/836468035.db2.gz CLUHNUAMBITAJP-UHFFFAOYSA-N 1 2 299.440 0.873 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108865119 836555494 /nfs/dbraw/zinc/55/54/94/836555494.db2.gz ZFLUJHHCCVXAKP-WOPDTQHZSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108865119 836555500 /nfs/dbraw/zinc/55/55/00/836555500.db2.gz ZFLUJHHCCVXAKP-WOPDTQHZSA-N 1 2 285.775 0.597 20 30 CCEDLO C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109015047 836598377 /nfs/dbraw/zinc/59/83/77/836598377.db2.gz TYXKQOZGPXYXGI-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058493 836610953 /nfs/dbraw/zinc/61/09/53/836610953.db2.gz YOBJSOSRYYPNIY-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109079999 836613188 /nfs/dbraw/zinc/61/31/88/836613188.db2.gz IIASYYBOSPYJGY-RNJOBUHISA-N 1 2 292.383 0.394 20 30 CCEDLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109079999 836613192 /nfs/dbraw/zinc/61/31/92/836613192.db2.gz IIASYYBOSPYJGY-RNJOBUHISA-N 1 2 292.383 0.394 20 30 CCEDLO C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255609 836647703 /nfs/dbraw/zinc/64/77/03/836647703.db2.gz UVZXTRDRRZSTSM-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001109824764 836735630 /nfs/dbraw/zinc/73/56/30/836735630.db2.gz KLLXTMVANOVTKR-GHYVTOPFSA-N 1 2 287.367 0.833 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001109824764 836735638 /nfs/dbraw/zinc/73/56/38/836735638.db2.gz KLLXTMVANOVTKR-GHYVTOPFSA-N 1 2 287.367 0.833 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001112610094 836822129 /nfs/dbraw/zinc/82/21/29/836822129.db2.gz MMRVWXHEDWBQMY-UHFFFAOYSA-N 1 2 263.341 0.975 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCC)CC1 ZINC001112639152 836837647 /nfs/dbraw/zinc/83/76/47/836837647.db2.gz RYERVGNYFYAKTJ-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001112687633 836864127 /nfs/dbraw/zinc/86/41/27/836864127.db2.gz KRBNJWGKLQFYHV-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154894 837040205 /nfs/dbraw/zinc/04/02/05/837040205.db2.gz JMCANJOFAGMIDY-ZJUUUORDSA-N 1 2 299.338 0.041 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)[C@@H]2CCOC2)CC1 ZINC001113161765 837041182 /nfs/dbraw/zinc/04/11/82/837041182.db2.gz JJPYKVAHEDIILP-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113155405 837041490 /nfs/dbraw/zinc/04/14/90/837041490.db2.gz ORHDTDYCBFKMFP-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1nccnc1C#N ZINC001113313966 837085087 /nfs/dbraw/zinc/08/50/87/837085087.db2.gz OUIBLOGDEIWSSQ-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCCC[NH+]1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001113357480 837099311 /nfs/dbraw/zinc/09/93/11/837099311.db2.gz KBVWAVGBYXKXAG-UHFFFAOYSA-N 1 2 277.372 0.848 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001113416757 837111607 /nfs/dbraw/zinc/11/16/07/837111607.db2.gz SVXYIKZUVNBMND-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)C2CCC2)CC1 ZINC001113428383 837114767 /nfs/dbraw/zinc/11/47/67/837114767.db2.gz VLZCIXRIZZBADX-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)nc1 ZINC001113898016 837358613 /nfs/dbraw/zinc/35/86/13/837358613.db2.gz JBDFYSUBOQCWPC-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793575 838220289 /nfs/dbraw/zinc/22/02/89/838220289.db2.gz VIGUJNUTOLAVKT-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793575 838220299 /nfs/dbraw/zinc/22/02/99/838220299.db2.gz VIGUJNUTOLAVKT-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132047003 838309155 /nfs/dbraw/zinc/30/91/55/838309155.db2.gz SMLAYXWKYVYPEA-WCQYABFASA-N 1 2 277.368 0.115 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132047003 838309163 /nfs/dbraw/zinc/30/91/63/838309163.db2.gz SMLAYXWKYVYPEA-WCQYABFASA-N 1 2 277.368 0.115 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132303973 838359350 /nfs/dbraw/zinc/35/93/50/838359350.db2.gz DKPQQNQDBFMOGW-AAEUAGOBSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132303973 838359357 /nfs/dbraw/zinc/35/93/57/838359357.db2.gz DKPQQNQDBFMOGW-AAEUAGOBSA-N 1 2 275.356 0.340 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001132591444 838446092 /nfs/dbraw/zinc/44/60/92/838446092.db2.gz OIOVBKWNIDDWNW-UHFFFAOYSA-N 1 2 260.341 0.876 20 30 CCEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001135944521 839475076 /nfs/dbraw/zinc/47/50/76/839475076.db2.gz KZVZPCUPTGZBFY-WDEREUQCSA-N 1 2 263.345 0.359 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001273507435 844451910 /nfs/dbraw/zinc/45/19/10/844451910.db2.gz ACSIBISEGHJFPM-AWEZNQCLSA-N 1 2 296.371 0.677 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001273507435 844451911 /nfs/dbraw/zinc/45/19/11/844451911.db2.gz ACSIBISEGHJFPM-AWEZNQCLSA-N 1 2 296.371 0.677 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090669935 839717617 /nfs/dbraw/zinc/71/76/17/839717617.db2.gz JGDBMFUUCNFPMD-DGCLKSJQSA-N 1 2 290.367 0.929 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090688499 839737479 /nfs/dbraw/zinc/73/74/79/839737479.db2.gz DHKUFUQDRVXSHE-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090688499 839737481 /nfs/dbraw/zinc/73/74/81/839737481.db2.gz DHKUFUQDRVXSHE-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cncc(C#N)c2)CCCO1 ZINC001144085178 839935659 /nfs/dbraw/zinc/93/56/59/839935659.db2.gz VYPICVRAKJMDGF-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCCO1 ZINC001144085178 839935680 /nfs/dbraw/zinc/93/56/80/839935680.db2.gz VYPICVRAKJMDGF-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001144409098 840036128 /nfs/dbraw/zinc/03/61/28/840036128.db2.gz GRGGHAPMSKVDFN-LBPRGKRZSA-N 1 2 296.396 0.481 20 30 CCEDLO CC1(C)CC(=O)C=C(NC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186055263 844500341 /nfs/dbraw/zinc/50/03/41/844500341.db2.gz NQKCRSKUNUESHD-LLVKDONJSA-N 1 2 266.341 0.442 20 30 CCEDLO CC1(C)CC(=O)C=C(NC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186055263 844500344 /nfs/dbraw/zinc/50/03/44/844500344.db2.gz NQKCRSKUNUESHD-LLVKDONJSA-N 1 2 266.341 0.442 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC001147291423 840550900 /nfs/dbraw/zinc/55/09/00/840550900.db2.gz VFKYKMSCMUXVCT-UHFFFAOYSA-N 1 2 278.381 0.966 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC001147291423 840550905 /nfs/dbraw/zinc/55/09/05/840550905.db2.gz VFKYKMSCMUXVCT-UHFFFAOYSA-N 1 2 278.381 0.966 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734110 841151629 /nfs/dbraw/zinc/15/16/29/841151629.db2.gz MVBAVWFGJUPYJL-TZMCWYRMSA-N 1 2 287.367 0.789 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1nccnc1C#N ZINC001093784871 841454966 /nfs/dbraw/zinc/45/49/66/841454966.db2.gz CNFLBANMRTZFGJ-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1nccnc1C#N ZINC001094188572 841560597 /nfs/dbraw/zinc/56/05/97/841560597.db2.gz CNKBLHGYIGYHBZ-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1nccnc1C#N ZINC001094188572 841560600 /nfs/dbraw/zinc/56/06/00/841560600.db2.gz CNKBLHGYIGYHBZ-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1ccc(C#N)nc1 ZINC001094301936 841603498 /nfs/dbraw/zinc/60/34/98/841603498.db2.gz MFUJRIDRAFCNSC-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccccc3)CC2=O)C1 ZINC001094698101 841709688 /nfs/dbraw/zinc/70/96/88/841709688.db2.gz VDTFFAKRZAOOOI-CQSZACIVSA-N 1 2 299.374 0.888 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)OC ZINC001172166869 841879278 /nfs/dbraw/zinc/87/92/78/841879278.db2.gz UUNZSZJKORNDGX-TUAOUCFPSA-N 1 2 264.325 0.294 20 30 CCEDLO N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094973011 841981582 /nfs/dbraw/zinc/98/15/82/841981582.db2.gz HMEHSPNMSCNVOU-MJBXVCDLSA-N 1 2 287.367 0.766 20 30 CCEDLO C#Cc1cc(Nc2ccc(S(N)(=O)=O)cc2)cc[nH+]1 ZINC001174234032 842172877 /nfs/dbraw/zinc/17/28/77/842172877.db2.gz MFSNJTSVBDDVNT-UHFFFAOYSA-N 1 2 273.317 0.876 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177024799 842484833 /nfs/dbraw/zinc/48/48/33/842484833.db2.gz KTWIFUGFADGYCQ-KBPBESRZSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177024799 842484838 /nfs/dbraw/zinc/48/48/38/842484838.db2.gz KTWIFUGFADGYCQ-KBPBESRZSA-N 1 2 296.411 0.883 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019802 842485344 /nfs/dbraw/zinc/48/53/44/842485344.db2.gz SAGRARQKJCEGPR-HZPDHXFCSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019802 842485350 /nfs/dbraw/zinc/48/53/50/842485350.db2.gz SAGRARQKJCEGPR-HZPDHXFCSA-N 1 2 288.391 0.971 20 30 CCEDLO CON=C(C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ccco1 ZINC001177354016 842564981 /nfs/dbraw/zinc/56/49/81/842564981.db2.gz YUBKBNGVQPJXAE-IQHDWMNZSA-N 1 2 292.295 0.073 20 30 CCEDLO CO/N=C(\C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ccco1 ZINC001177354016 842564989 /nfs/dbraw/zinc/56/49/89/842564989.db2.gz YUBKBNGVQPJXAE-IQHDWMNZSA-N 1 2 292.295 0.073 20 30 CCEDLO C#Cc1cc(NC(=O)CN(C)c2cccc[nH+]2)ccn1 ZINC001177409535 842582562 /nfs/dbraw/zinc/58/25/62/842582562.db2.gz WEPXVYJBCTXXMW-UHFFFAOYSA-N 1 2 266.304 0.955 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926583 842697932 /nfs/dbraw/zinc/69/79/32/842697932.db2.gz GPCAHHSTHKOOLE-RKDXNWHRSA-N 1 2 250.258 0.016 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC001178122617 842777498 /nfs/dbraw/zinc/77/74/98/842777498.db2.gz YMACRGOKHVCBJK-LLVKDONJSA-N 1 2 274.324 0.634 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178692352 842900315 /nfs/dbraw/zinc/90/03/15/842900315.db2.gz ZLMZHCXVIVEGQO-JTQLQIEISA-N 1 2 285.311 0.225 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178692352 842900322 /nfs/dbraw/zinc/90/03/22/842900322.db2.gz ZLMZHCXVIVEGQO-JTQLQIEISA-N 1 2 285.311 0.225 20 30 CCEDLO C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2O)CC1 ZINC001178953040 842948119 /nfs/dbraw/zinc/94/81/19/842948119.db2.gz ZVCUNQXYWYOTMJ-UHFFFAOYSA-N 1 2 274.324 0.450 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2NC(=O)c3ccccc32)CC1 ZINC001182418621 843819791 /nfs/dbraw/zinc/81/97/91/843819791.db2.gz JUWIJPFDMDYUCE-CQSZACIVSA-N 1 2 285.347 0.801 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182505510 843846828 /nfs/dbraw/zinc/84/68/28/843846828.db2.gz ZYXIXFWFCSQXJR-CMPLNLGQSA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc(N(C)C)nc2)CC1 ZINC001189844411 845253017 /nfs/dbraw/zinc/25/30/17/845253017.db2.gz PDMZZYVSBFQWIS-UHFFFAOYSA-N 1 2 275.356 0.486 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)C(C)(C)O)c1 ZINC001190400167 845396317 /nfs/dbraw/zinc/39/63/17/845396317.db2.gz WWBZTAQWOBUQJQ-CQSZACIVSA-N 1 2 290.363 0.670 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)C(C)(C)O)c1 ZINC001190400167 845396331 /nfs/dbraw/zinc/39/63/31/845396331.db2.gz WWBZTAQWOBUQJQ-CQSZACIVSA-N 1 2 290.363 0.670 20 30 CCEDLO C=CCC1(S(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC001190766181 845491134 /nfs/dbraw/zinc/49/11/34/845491134.db2.gz GWSYVIDJEKVRBA-UHFFFAOYSA-N 1 2 255.343 0.911 20 30 CCEDLO C=CCC1(S(=O)(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC001190783246 845497992 /nfs/dbraw/zinc/49/79/92/845497992.db2.gz DNDASGZTNIEDMH-UHFFFAOYSA-N 1 2 288.413 0.425 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001192510619 845859047 /nfs/dbraw/zinc/85/90/47/845859047.db2.gz NXMUTFBDRPXGOO-CHWSQXEVSA-N 1 2 293.392 0.608 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001192510619 845859050 /nfs/dbraw/zinc/85/90/50/845859050.db2.gz NXMUTFBDRPXGOO-CHWSQXEVSA-N 1 2 293.392 0.608 20 30 CCEDLO C=CCC1(NS(=O)(=O)N2CC[NH+](C)CC2)CCCC1 ZINC001192571183 845867241 /nfs/dbraw/zinc/86/72/41/845867241.db2.gz FEVFAFUWIMQSSW-UHFFFAOYSA-N 1 2 287.429 0.957 20 30 CCEDLO N#CCS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001192963989 845955821 /nfs/dbraw/zinc/95/58/21/845955821.db2.gz YRNGDEFQFWWVDJ-NSHDSACASA-N 1 2 267.310 0.388 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@](C)(O)C=C)O2 ZINC001273656062 846038278 /nfs/dbraw/zinc/03/82/78/846038278.db2.gz UGCNJMAMFNJPPR-ZFWWWQNUSA-N 1 2 294.395 0.849 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193337689 846055976 /nfs/dbraw/zinc/05/59/76/846055976.db2.gz YJQXPMUMLOZPPU-GHMZBOCLSA-N 1 2 258.337 0.720 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193337689 846055983 /nfs/dbraw/zinc/05/59/83/846055983.db2.gz YJQXPMUMLOZPPU-GHMZBOCLSA-N 1 2 258.337 0.720 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC001195233536 846477026 /nfs/dbraw/zinc/47/70/26/846477026.db2.gz WHPRBCNHLHGAIC-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC001195233536 846477029 /nfs/dbraw/zinc/47/70/29/846477029.db2.gz WHPRBCNHLHGAIC-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](OC)C1CC1)CO2 ZINC001273695715 846495739 /nfs/dbraw/zinc/49/57/39/846495739.db2.gz HLVMOQOSGAJFJQ-ZIAGYGMSSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001195645214 846591642 /nfs/dbraw/zinc/59/16/42/846591642.db2.gz KPHLGMAXALRFRV-UHFFFAOYSA-N 1 2 289.383 0.653 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001195645214 846591650 /nfs/dbraw/zinc/59/16/50/846591650.db2.gz KPHLGMAXALRFRV-UHFFFAOYSA-N 1 2 289.383 0.653 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001251832151 847177156 /nfs/dbraw/zinc/17/71/56/847177156.db2.gz DLRXZFLGFYVADR-UWVGGRQHSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001251832151 847177159 /nfs/dbraw/zinc/17/71/59/847177159.db2.gz DLRXZFLGFYVADR-UWVGGRQHSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCS(C)(=O)=O ZINC001273811399 847545121 /nfs/dbraw/zinc/54/51/21/847545121.db2.gz GPCMSHNZBYYTSD-CQSZACIVSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCS(C)(=O)=O ZINC001273811399 847545129 /nfs/dbraw/zinc/54/51/29/847545129.db2.gz GPCMSHNZBYYTSD-CQSZACIVSA-N 1 2 298.408 0.121 20 30 CCEDLO N#CCNC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200367578 847615832 /nfs/dbraw/zinc/61/58/32/847615832.db2.gz QIKNHOAEKSYNFL-GFCCVEGCSA-N 1 2 291.355 0.073 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273907343 847815731 /nfs/dbraw/zinc/81/57/31/847815731.db2.gz MKESNLKUNGEOML-IUODEOHRSA-N 1 2 278.352 0.638 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273907343 847815740 /nfs/dbraw/zinc/81/57/40/847815740.db2.gz MKESNLKUNGEOML-IUODEOHRSA-N 1 2 278.352 0.638 20 30 CCEDLO Cc1nc(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)cc[nH+]1 ZINC001066603231 847996111 /nfs/dbraw/zinc/99/61/11/847996111.db2.gz XFCOYQJOTCORQZ-PWSUYJOCSA-N 1 2 289.339 0.584 20 30 CCEDLO N#CCCCC[NH+]1CC2(C1)COCC(=O)N2CC(F)F ZINC001274044855 848317299 /nfs/dbraw/zinc/31/72/99/848317299.db2.gz CGIYRNUVOMBGSV-UHFFFAOYSA-N 1 2 287.310 0.859 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)CO)C[C@@]2(F)C1=O ZINC001274055769 848331225 /nfs/dbraw/zinc/33/12/25/848331225.db2.gz SPLPRYCRTMJHDL-UONOGXRCSA-N 1 2 286.322 0.213 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CC(C)(C)CO)C[C@@]2(F)C1=O ZINC001274055769 848331232 /nfs/dbraw/zinc/33/12/32/848331232.db2.gz SPLPRYCRTMJHDL-UONOGXRCSA-N 1 2 286.322 0.213 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@H](C)CO)C[C@@]2(F)C1=O ZINC001274068421 848337033 /nfs/dbraw/zinc/33/70/33/848337033.db2.gz GEDXREJUFWZDFR-FPMFFAJLSA-N 1 2 288.338 0.765 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@H](C)CO)C[C@@]2(F)C1=O ZINC001274068421 848337044 /nfs/dbraw/zinc/33/70/44/848337044.db2.gz GEDXREJUFWZDFR-FPMFFAJLSA-N 1 2 288.338 0.765 20 30 CCEDLO C=CCN1CC2(CN(Cc3cccc(N)[nH+]3)C2)OCC1=O ZINC001274159756 848361625 /nfs/dbraw/zinc/36/16/25/848361625.db2.gz WOUASKZRWGVGBA-UHFFFAOYSA-N 1 2 288.351 0.263 20 30 CCEDLO CCC[C@H](O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274635465 848528901 /nfs/dbraw/zinc/52/89/01/848528901.db2.gz LRGTZTJJJALJRL-ZDUSSCGKSA-N 1 2 295.383 0.364 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)ccc3C#N)C[C@@H](C1)O2 ZINC001275753556 848809598 /nfs/dbraw/zinc/80/95/98/848809598.db2.gz VXEDWOBQMRHMLO-BETUJISGSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)ccc3C#N)C[C@@H](C1)O2 ZINC001275753556 848809602 /nfs/dbraw/zinc/80/96/02/848809602.db2.gz VXEDWOBQMRHMLO-BETUJISGSA-N 1 2 289.310 0.852 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001276043778 848907866 /nfs/dbraw/zinc/90/78/66/848907866.db2.gz IOQOGZQKJHZTBE-ZDUSSCGKSA-N 1 2 296.411 0.788 20 30 CCEDLO C#CCOCCC(=O)NC1(CCO)C[NH+](CC=C(C)C)C1 ZINC001276050832 848910282 /nfs/dbraw/zinc/91/02/82/848910282.db2.gz PKAXXTMXWHCWLO-UHFFFAOYSA-N 1 2 294.395 0.546 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001258316348 849225186 /nfs/dbraw/zinc/22/51/86/849225186.db2.gz QLQOLXFYORGZJI-UHFFFAOYSA-N 1 2 276.340 0.357 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC2CCC2)C1 ZINC001276360614 849449727 /nfs/dbraw/zinc/44/97/27/849449727.db2.gz MMVVKVOQUWXARO-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001037937456 849609242 /nfs/dbraw/zinc/60/92/42/849609242.db2.gz ZXBIRLBCHGRRHG-DGCLKSJQSA-N 1 2 275.356 0.692 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001038247838 849828445 /nfs/dbraw/zinc/82/84/45/849828445.db2.gz GLMXPNALEQQDMT-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001038247838 849828467 /nfs/dbraw/zinc/82/84/67/849828467.db2.gz GLMXPNALEQQDMT-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001038345181 849861049 /nfs/dbraw/zinc/86/10/49/849861049.db2.gz JYBKBKRSUSLCTH-NSHDSACASA-N 1 2 299.330 0.569 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001038345181 849861055 /nfs/dbraw/zinc/86/10/55/849861055.db2.gz JYBKBKRSUSLCTH-NSHDSACASA-N 1 2 299.330 0.569 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376336 849869847 /nfs/dbraw/zinc/86/98/47/849869847.db2.gz SVAQTFRGSRPRAR-NSHDSACASA-N 1 2 286.335 0.497 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376336 849869853 /nfs/dbraw/zinc/86/98/53/849869853.db2.gz SVAQTFRGSRPRAR-NSHDSACASA-N 1 2 286.335 0.497 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038417109 849886351 /nfs/dbraw/zinc/88/63/51/849886351.db2.gz KDXCGZPZTRKVMT-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038417109 849886359 /nfs/dbraw/zinc/88/63/59/849886359.db2.gz KDXCGZPZTRKVMT-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038425609 849892481 /nfs/dbraw/zinc/89/24/81/849892481.db2.gz BIXKWXPKNNTENS-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001038441779 849898242 /nfs/dbraw/zinc/89/82/42/849898242.db2.gz FEHUWYKKPUZDNY-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001038441779 849898251 /nfs/dbraw/zinc/89/82/51/849898251.db2.gz FEHUWYKKPUZDNY-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038505590 849925826 /nfs/dbraw/zinc/92/58/26/849925826.db2.gz LOQPZARFHFTZKD-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038505590 849925834 /nfs/dbraw/zinc/92/58/34/849925834.db2.gz LOQPZARFHFTZKD-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038512111 849926232 /nfs/dbraw/zinc/92/62/32/849926232.db2.gz VSILUWHDBVFHPG-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038512111 849926239 /nfs/dbraw/zinc/92/62/39/849926239.db2.gz VSILUWHDBVFHPG-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001038539090 849935455 /nfs/dbraw/zinc/93/54/55/849935455.db2.gz RXRWZXCAMWYPEH-JHJVBQTASA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001038539090 849935461 /nfs/dbraw/zinc/93/54/61/849935461.db2.gz RXRWZXCAMWYPEH-JHJVBQTASA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001038567507 849944393 /nfs/dbraw/zinc/94/43/93/849944393.db2.gz NVRIGAFMRVZPIY-GXTWGEPZSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001038567507 849944401 /nfs/dbraw/zinc/94/44/01/849944401.db2.gz NVRIGAFMRVZPIY-GXTWGEPZSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038632911 849964261 /nfs/dbraw/zinc/96/42/61/849964261.db2.gz CGAKHSPBLKFUIQ-ZDUSSCGKSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038632911 849964271 /nfs/dbraw/zinc/96/42/71/849964271.db2.gz CGAKHSPBLKFUIQ-ZDUSSCGKSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001038807954 850020882 /nfs/dbraw/zinc/02/08/82/850020882.db2.gz NQZKPFNQIUQMRM-RDBSUJKOSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001038807954 850020887 /nfs/dbraw/zinc/02/08/87/850020887.db2.gz NQZKPFNQIUQMRM-RDBSUJKOSA-N 1 2 262.353 0.791 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038808104 850021112 /nfs/dbraw/zinc/02/11/12/850021112.db2.gz AXPVXMOZNGJAQO-ZDUSSCGKSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038808104 850021117 /nfs/dbraw/zinc/02/11/17/850021117.db2.gz AXPVXMOZNGJAQO-ZDUSSCGKSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001038829957 850035276 /nfs/dbraw/zinc/03/52/76/850035276.db2.gz PJUWGTYMRHXYPE-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001038829957 850035287 /nfs/dbraw/zinc/03/52/87/850035287.db2.gz PJUWGTYMRHXYPE-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001038964887 850103084 /nfs/dbraw/zinc/10/30/84/850103084.db2.gz VMEAYNAQUJWXEY-KBPBESRZSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001038964887 850103088 /nfs/dbraw/zinc/10/30/88/850103088.db2.gz VMEAYNAQUJWXEY-KBPBESRZSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001038995128 850113673 /nfs/dbraw/zinc/11/36/73/850113673.db2.gz GSLVUVXPQRHKLV-AWEZNQCLSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001038995128 850113678 /nfs/dbraw/zinc/11/36/78/850113678.db2.gz GSLVUVXPQRHKLV-AWEZNQCLSA-N 1 2 296.334 0.100 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001039027978 850127062 /nfs/dbraw/zinc/12/70/62/850127062.db2.gz GTTYFOASYHAPMA-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001039027978 850127057 /nfs/dbraw/zinc/12/70/57/850127057.db2.gz GTTYFOASYHAPMA-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039072967 850145782 /nfs/dbraw/zinc/14/57/82/850145782.db2.gz HNAVAEKWKMNSJZ-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039072967 850145787 /nfs/dbraw/zinc/14/57/87/850145787.db2.gz HNAVAEKWKMNSJZ-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO N#CCN1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464052 850293906 /nfs/dbraw/zinc/29/39/06/850293906.db2.gz KFVFDZOZQKGEGW-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042031914 850562422 /nfs/dbraw/zinc/56/24/22/850562422.db2.gz CYGMLECYRXEORR-STQMWFEESA-N 1 2 287.367 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001042701378 850738664 /nfs/dbraw/zinc/73/86/64/850738664.db2.gz JRWFAWYFXKZZQF-UHFFFAOYSA-N 1 2 263.345 0.374 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042928439 850782289 /nfs/dbraw/zinc/78/22/89/850782289.db2.gz JGIOQYMOUPRKAM-UHFFFAOYSA-N 1 2 263.341 0.423 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)C1CN(CC#N)C1 ZINC001043064363 850807043 /nfs/dbraw/zinc/80/70/43/850807043.db2.gz DZOXXCNLVBSUPT-UHFFFAOYSA-N 1 2 274.324 0.299 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCO[C@H]2C)C1 ZINC001043457051 850875284 /nfs/dbraw/zinc/87/52/84/850875284.db2.gz TUISEOYQTDUVBE-SWLSCSKDSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2C)C1 ZINC001043498286 850884004 /nfs/dbraw/zinc/88/40/04/850884004.db2.gz UCRANJJJSFJDRA-UHFFFAOYSA-N 1 2 274.368 0.816 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(OC)n2)C1 ZINC001044008874 850983924 /nfs/dbraw/zinc/98/39/24/850983924.db2.gz WJNSSHYAAWYDHJ-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2nonc2C)C1 ZINC001044123998 851016475 /nfs/dbraw/zinc/01/64/75/851016475.db2.gz MYXKTIPKNPJEGA-UHFFFAOYSA-N 1 2 264.329 0.639 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001044155016 851024683 /nfs/dbraw/zinc/02/46/83/851024683.db2.gz AOZNLEHJUKBVIB-TZMCWYRMSA-N 1 2 250.342 0.742 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001044328474 851077976 /nfs/dbraw/zinc/07/79/76/851077976.db2.gz GMBATSGRNHDCBI-GFCCVEGCSA-N 1 2 289.383 0.478 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001044343115 851082383 /nfs/dbraw/zinc/08/23/83/851082383.db2.gz NXDSMQBRSKKAOZ-UHFFFAOYSA-N 1 2 278.356 0.056 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC001046018997 851354446 /nfs/dbraw/zinc/35/44/46/851354446.db2.gz GDWINTXEBRKXCW-OAHLLOKOSA-N 1 2 288.395 0.839 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286864 851453177 /nfs/dbraw/zinc/45/31/77/851453177.db2.gz GWDNNNPRKVPUDJ-SKDRFNHKSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286864 851453188 /nfs/dbraw/zinc/45/31/88/851453188.db2.gz GWDNNNPRKVPUDJ-SKDRFNHKSA-N 1 2 287.747 0.428 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN(CC#N)C1 ZINC001046423125 851496594 /nfs/dbraw/zinc/49/65/94/851496594.db2.gz IMMDWKGJXGYBCY-WFASDCNBSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001047348016 851730214 /nfs/dbraw/zinc/73/02/14/851730214.db2.gz PUMWXTCKIIFXNW-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001047348016 851730220 /nfs/dbraw/zinc/73/02/20/851730220.db2.gz PUMWXTCKIIFXNW-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc3ccccn32)C1 ZINC001047456344 851771966 /nfs/dbraw/zinc/77/19/66/851771966.db2.gz APPYAJUSKHZJJO-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc3ccccn32)C1 ZINC001047456344 851771971 /nfs/dbraw/zinc/77/19/71/851771971.db2.gz APPYAJUSKHZJJO-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001047515479 851796017 /nfs/dbraw/zinc/79/60/17/851796017.db2.gz FBDQTPIUZWNZCY-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001047515479 851796022 /nfs/dbraw/zinc/79/60/22/851796022.db2.gz FBDQTPIUZWNZCY-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001048906937 852104793 /nfs/dbraw/zinc/10/47/93/852104793.db2.gz KMXDXBKNMICILT-MELADBBJSA-N 1 2 299.378 0.359 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COC)CCO2 ZINC001053111214 852683484 /nfs/dbraw/zinc/68/34/84/852683484.db2.gz YQVBFRQPGPCVBG-UHFFFAOYSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccon1)CCO2 ZINC001053169853 852701126 /nfs/dbraw/zinc/70/11/26/852701126.db2.gz QQZJUVRUYWXASL-UHFFFAOYSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnco1)CCO2 ZINC001053363313 852732922 /nfs/dbraw/zinc/73/29/22/852732922.db2.gz AWAGOACZKDCNFX-UHFFFAOYSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccnn1)CCO2 ZINC001053481878 852748984 /nfs/dbraw/zinc/74/89/84/852748984.db2.gz SAYKELYASGNQRO-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC1)O2 ZINC001053555901 852757182 /nfs/dbraw/zinc/75/71/82/852757182.db2.gz DYZBWNMMISQACK-GFCCVEGCSA-N 1 2 250.342 0.932 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC(OC)C1)O2 ZINC001053614915 852770648 /nfs/dbraw/zinc/77/06/48/852770648.db2.gz VFGODWFPTKXRFM-MOKVOYLWSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1)CO2 ZINC001053737801 852796509 /nfs/dbraw/zinc/79/65/09/852796509.db2.gz WYEADXNBRYNEOI-ZDUSSCGKSA-N 1 2 274.320 0.876 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780055 852818380 /nfs/dbraw/zinc/81/83/80/852818380.db2.gz ZTPTYSJINKEXDI-GFCCVEGCSA-N 1 2 274.324 0.479 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]cc1C)CO2 ZINC001053797785 852824036 /nfs/dbraw/zinc/82/40/36/852824036.db2.gz IOUWKAWQRSPGLM-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(F)CCOC1)CO2 ZINC001053905466 852843213 /nfs/dbraw/zinc/84/32/13/852843213.db2.gz HREVKVGVIUZTCE-IUODEOHRSA-N 1 2 296.342 0.098 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]cc1F)CO2 ZINC001053919293 852847434 /nfs/dbraw/zinc/84/74/34/852847434.db2.gz INQIXWYHBLGKGB-SNVBAGLBSA-N 1 2 292.314 0.145 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)nn1 ZINC001097955178 852996853 /nfs/dbraw/zinc/99/68/53/852996853.db2.gz FPGGYUOWPJWMAB-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050680990 853413429 /nfs/dbraw/zinc/41/34/29/853413429.db2.gz UXUBUFHVQRESNC-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001050827819 853449253 /nfs/dbraw/zinc/44/92/53/853449253.db2.gz JRKQKUOBUMXTCD-GFCCVEGCSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001050827819 853449256 /nfs/dbraw/zinc/44/92/56/853449256.db2.gz JRKQKUOBUMXTCD-GFCCVEGCSA-N 1 2 278.356 0.807 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnsn1 ZINC001050833294 853452626 /nfs/dbraw/zinc/45/26/26/853452626.db2.gz QXIMGGCNXYWPSO-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnsn1 ZINC001050833294 853452630 /nfs/dbraw/zinc/45/26/30/853452630.db2.gz QXIMGGCNXYWPSO-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001050851435 853463550 /nfs/dbraw/zinc/46/35/50/853463550.db2.gz GCNYVDZEIAMQFV-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001050851435 853463558 /nfs/dbraw/zinc/46/35/58/853463558.db2.gz GCNYVDZEIAMQFV-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001050866993 853467273 /nfs/dbraw/zinc/46/72/73/853467273.db2.gz BWLCWCCRKNWVSC-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001050866993 853467278 /nfs/dbraw/zinc/46/72/78/853467278.db2.gz BWLCWCCRKNWVSC-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCN1CCOC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001051027843 853507525 /nfs/dbraw/zinc/50/75/25/853507525.db2.gz ZHSXYGLMTPHJPV-ZDUSSCGKSA-N 1 2 298.346 0.398 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051996312 853671803 /nfs/dbraw/zinc/67/18/03/853671803.db2.gz MEZYDEFBJIYIMS-ZDUSSCGKSA-N 1 2 290.367 0.693 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052026993 853677509 /nfs/dbraw/zinc/67/75/09/853677509.db2.gz VVYZULUQUIEGSC-OAHLLOKOSA-N 1 2 293.386 0.588 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1NCC#N ZINC001070634425 854084236 /nfs/dbraw/zinc/08/42/36/854084236.db2.gz RZOWVSQRMLPMHK-KOABKASLSA-N 1 2 299.378 0.794 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)C)CC1 ZINC001070939398 854105935 /nfs/dbraw/zinc/10/59/35/854105935.db2.gz JDLLSLYWLBVEOT-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)C)CC1 ZINC001070939398 854105941 /nfs/dbraw/zinc/10/59/41/854105941.db2.gz JDLLSLYWLBVEOT-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099725821 854976395 /nfs/dbraw/zinc/97/63/95/854976395.db2.gz ZJESGFIKAVRLRS-NEPJUHHUSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099725821 854976382 /nfs/dbraw/zinc/97/63/82/854976382.db2.gz ZJESGFIKAVRLRS-NEPJUHHUSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001099729180 854978585 /nfs/dbraw/zinc/97/85/85/854978585.db2.gz DERBGXXBVCAMOM-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001099729180 854978593 /nfs/dbraw/zinc/97/85/93/854978593.db2.gz DERBGXXBVCAMOM-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099811939 855000970 /nfs/dbraw/zinc/00/09/70/855000970.db2.gz AGOCYMPNNXOVKN-OLZOCXBDSA-N 1 2 282.771 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099811939 855000971 /nfs/dbraw/zinc/00/09/71/855000971.db2.gz AGOCYMPNNXOVKN-OLZOCXBDSA-N 1 2 282.771 0.704 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975470 855402366 /nfs/dbraw/zinc/40/23/66/855402366.db2.gz CUGFTJDTAVRBHG-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001103117679 855498561 /nfs/dbraw/zinc/49/85/61/855498561.db2.gz KUGFDFHPQVBCPQ-CYBMUJFWSA-N 1 2 298.350 0.579 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001118186196 856192071 /nfs/dbraw/zinc/19/20/71/856192071.db2.gz NELBKUMFGPQKHS-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001118186196 856192076 /nfs/dbraw/zinc/19/20/76/856192076.db2.gz NELBKUMFGPQKHS-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001119979999 856945979 /nfs/dbraw/zinc/94/59/79/856945979.db2.gz SJFUUIRAKQJBSR-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(CC)CCNC1=O ZINC001323245950 912217098 /nfs/dbraw/zinc/21/70/98/912217098.db2.gz JDNYZEGUDLJATJ-WFASDCNBSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(CC)CCNC1=O ZINC001323245950 912217106 /nfs/dbraw/zinc/21/71/06/912217106.db2.gz JDNYZEGUDLJATJ-WFASDCNBSA-N 1 2 277.368 0.117 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001323436195 912345485 /nfs/dbraw/zinc/34/54/85/912345485.db2.gz UVEJEZCRZDVODG-GFCCVEGCSA-N 1 2 296.396 0.604 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001393274069 912482946 /nfs/dbraw/zinc/48/29/46/912482946.db2.gz DQVABIDOXFIRME-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001393274069 912482957 /nfs/dbraw/zinc/48/29/57/912482957.db2.gz DQVABIDOXFIRME-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001323897096 912567082 /nfs/dbraw/zinc/56/70/82/912567082.db2.gz XTSJWPBNXXGVPZ-GFCCVEGCSA-N 1 2 270.373 0.493 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C)cc1 ZINC001492826692 912978462 /nfs/dbraw/zinc/97/84/62/912978462.db2.gz JAFVYDVMHRKRKN-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C)cc1 ZINC001492826692 912978474 /nfs/dbraw/zinc/97/84/74/912978474.db2.gz JAFVYDVMHRKRKN-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001325311565 913334286 /nfs/dbraw/zinc/33/42/86/913334286.db2.gz IYOCFPLAPSMMRD-CQSZACIVSA-N 1 2 294.395 0.378 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H](C)C#N ZINC001394802162 913441797 /nfs/dbraw/zinc/44/17/97/913441797.db2.gz RNWROFVJRGZWFX-GFCCVEGCSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H](C)C#N ZINC001394802162 913441803 /nfs/dbraw/zinc/44/18/03/913441803.db2.gz RNWROFVJRGZWFX-GFCCVEGCSA-N 1 2 294.399 0.593 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1sccc1F ZINC001480860145 891400827 /nfs/dbraw/zinc/40/08/27/891400827.db2.gz GFLXHSMANSQPRN-UHFFFAOYSA-N 1 2 297.355 0.298 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1sccc1F ZINC001480860145 891400829 /nfs/dbraw/zinc/40/08/29/891400829.db2.gz GFLXHSMANSQPRN-UHFFFAOYSA-N 1 2 297.355 0.298 20 30 CCEDLO COc1ccc(C[N@H+](C)CCNC(=O)C#CC(C)C)nn1 ZINC001480861478 891403808 /nfs/dbraw/zinc/40/38/08/891403808.db2.gz HAWCYDBJFKVZRE-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO COc1ccc(C[N@@H+](C)CCNC(=O)C#CC(C)C)nn1 ZINC001480861478 891403818 /nfs/dbraw/zinc/40/38/18/891403818.db2.gz HAWCYDBJFKVZRE-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001480899480 891715051 /nfs/dbraw/zinc/71/50/51/891715051.db2.gz OWSBPKPTIYQRPF-UHFFFAOYSA-N 1 2 269.389 0.771 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001480899480 891715054 /nfs/dbraw/zinc/71/50/54/891715054.db2.gz OWSBPKPTIYQRPF-UHFFFAOYSA-N 1 2 269.389 0.771 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COCCOC ZINC001481032076 892093066 /nfs/dbraw/zinc/09/30/66/892093066.db2.gz ISKRLXJNUXEPRI-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COCCOC ZINC001481032076 892093084 /nfs/dbraw/zinc/09/30/84/892093084.db2.gz ISKRLXJNUXEPRI-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CN(C)CC#N)C1 ZINC001481503361 892752339 /nfs/dbraw/zinc/75/23/39/892752339.db2.gz QJORZVYQYQKNBI-GFCCVEGCSA-N 1 2 275.356 0.565 20 30 CCEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481702072 893045843 /nfs/dbraw/zinc/04/58/43/893045843.db2.gz ZGPIWNBGAQVFSR-GFCCVEGCSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481702072 893045860 /nfs/dbraw/zinc/04/58/60/893045860.db2.gz ZGPIWNBGAQVFSR-GFCCVEGCSA-N 1 2 294.399 0.499 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001481843542 893207081 /nfs/dbraw/zinc/20/70/81/893207081.db2.gz OINQUJLRVUIPBW-GFCCVEGCSA-N 1 2 292.387 0.388 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)OCC)C1 ZINC001482182794 893468828 /nfs/dbraw/zinc/46/88/28/893468828.db2.gz OGSJWUAMQJDMAZ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)OCC)C1 ZINC001482182794 893468852 /nfs/dbraw/zinc/46/88/52/893468852.db2.gz OGSJWUAMQJDMAZ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc(C)on2)C1 ZINC001482184197 893471822 /nfs/dbraw/zinc/47/18/22/893471822.db2.gz KXFMGWABAMJRON-ZDUSSCGKSA-N 1 2 279.340 0.529 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cc(C)on2)C1 ZINC001482184197 893471829 /nfs/dbraw/zinc/47/18/29/893471829.db2.gz KXFMGWABAMJRON-ZDUSSCGKSA-N 1 2 279.340 0.529 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OC ZINC001299178717 894114260 /nfs/dbraw/zinc/11/42/60/894114260.db2.gz MUXLNTKFVPTURM-MNOVXSKESA-N 1 2 275.308 0.127 20 30 CCEDLO CCC(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001482580777 894277266 /nfs/dbraw/zinc/27/72/66/894277266.db2.gz IETPSQXVXPXITQ-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO CCC(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001482580777 894277282 /nfs/dbraw/zinc/27/72/82/894277282.db2.gz IETPSQXVXPXITQ-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001482592396 894339719 /nfs/dbraw/zinc/33/97/19/894339719.db2.gz ZJOHIOCNQYOURD-NSHDSACASA-N 1 2 285.779 0.982 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001482592396 894339737 /nfs/dbraw/zinc/33/97/37/894339737.db2.gz ZJOHIOCNQYOURD-NSHDSACASA-N 1 2 285.779 0.982 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H](C)CO1 ZINC001482614914 894412421 /nfs/dbraw/zinc/41/24/21/894412421.db2.gz TXVXBOWSTUZAKX-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H](C)CO1 ZINC001482614914 894412430 /nfs/dbraw/zinc/41/24/30/894412430.db2.gz TXVXBOWSTUZAKX-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482756936 894572335 /nfs/dbraw/zinc/57/23/35/894572335.db2.gz WJAZARVMYCLCSK-LLVKDONJSA-N 1 2 296.371 0.547 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]Cc1nn(C)cc1Cl ZINC001482991033 894782676 /nfs/dbraw/zinc/78/26/76/894782676.db2.gz LNLQKMATZQPHRH-UMBAGQNISA-N 1 2 295.774 0.995 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)on1 ZINC001484038407 896163850 /nfs/dbraw/zinc/16/38/50/896163850.db2.gz VIOUEBLXARZTBS-IINYFYTJSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)on1 ZINC001484038407 896163866 /nfs/dbraw/zinc/16/38/66/896163866.db2.gz VIOUEBLXARZTBS-IINYFYTJSA-N 1 2 292.339 0.923 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)OCC)CO2 ZINC001484793254 896607213 /nfs/dbraw/zinc/60/72/13/896607213.db2.gz XAELIFNBSJODJG-QWHCGFSZSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001397203630 914096653 /nfs/dbraw/zinc/09/66/53/914096653.db2.gz GBJAFWFRUWREQD-YUSALJHKSA-N 1 2 289.339 0.265 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001397203630 914096668 /nfs/dbraw/zinc/09/66/68/914096668.db2.gz GBJAFWFRUWREQD-YUSALJHKSA-N 1 2 289.339 0.265 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2coc(CC)n2)C1 ZINC001485403866 897037125 /nfs/dbraw/zinc/03/71/25/897037125.db2.gz KXEQFZBVSHGJQK-UHFFFAOYSA-N 1 2 293.367 0.980 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CSC)C2)C1 ZINC001485553798 897116693 /nfs/dbraw/zinc/11/66/93/897116693.db2.gz LXCWQYDQZNMYDE-HIFRSBDPSA-N 1 2 296.436 0.922 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CSC)C2)C1 ZINC001485553798 897116699 /nfs/dbraw/zinc/11/66/99/897116699.db2.gz LXCWQYDQZNMYDE-HIFRSBDPSA-N 1 2 296.436 0.922 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107833261 897332390 /nfs/dbraw/zinc/33/23/90/897332390.db2.gz FUFUVPNINIARGB-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107833261 897332403 /nfs/dbraw/zinc/33/24/03/897332403.db2.gz FUFUVPNINIARGB-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836319 897342208 /nfs/dbraw/zinc/34/22/08/897342208.db2.gz SMVIRQUOXGBSKS-CQSZACIVSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836319 897342217 /nfs/dbraw/zinc/34/22/17/897342217.db2.gz SMVIRQUOXGBSKS-CQSZACIVSA-N 1 2 278.356 0.345 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001077734181 897374260 /nfs/dbraw/zinc/37/42/60/897374260.db2.gz KLWAIBBVOZAJLG-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001077734181 897374274 /nfs/dbraw/zinc/37/42/74/897374274.db2.gz KLWAIBBVOZAJLG-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107900523 897466872 /nfs/dbraw/zinc/46/68/72/897466872.db2.gz RHOUPTXLJSGJLK-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939474 897525820 /nfs/dbraw/zinc/52/58/20/897525820.db2.gz CNIVEVCNXJZEDB-ZFWWWQNUSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939474 897525825 /nfs/dbraw/zinc/52/58/25/897525825.db2.gz CNIVEVCNXJZEDB-ZFWWWQNUSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083788936 897538391 /nfs/dbraw/zinc/53/83/91/897538391.db2.gz YUNWTCKQIGHQKH-CVEARBPZSA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083788936 897538399 /nfs/dbraw/zinc/53/83/99/897538399.db2.gz YUNWTCKQIGHQKH-CVEARBPZSA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(F)F ZINC001032449245 897579029 /nfs/dbraw/zinc/57/90/29/897579029.db2.gz CVXWSIDELDLTII-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(F)F ZINC001032449245 897579038 /nfs/dbraw/zinc/57/90/38/897579038.db2.gz CVXWSIDELDLTII-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(COC)c1 ZINC001032453023 897584627 /nfs/dbraw/zinc/58/46/27/897584627.db2.gz MIRXTSVMDRJCHB-GJZGRUSLSA-N 1 2 285.347 0.760 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(COC)c1 ZINC001032453023 897584633 /nfs/dbraw/zinc/58/46/33/897584633.db2.gz MIRXTSVMDRJCHB-GJZGRUSLSA-N 1 2 285.347 0.760 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001032483810 897637320 /nfs/dbraw/zinc/63/73/20/897637320.db2.gz JXGMMDYPOQBUCH-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001032483810 897637327 /nfs/dbraw/zinc/63/73/27/897637327.db2.gz JXGMMDYPOQBUCH-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCF)c1 ZINC001032488968 897644001 /nfs/dbraw/zinc/64/40/01/897644001.db2.gz KTLYEQSOGRNEKO-STQMWFEESA-N 1 2 276.315 0.385 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCF)c1 ZINC001032488968 897644008 /nfs/dbraw/zinc/64/40/08/897644008.db2.gz KTLYEQSOGRNEKO-STQMWFEESA-N 1 2 276.315 0.385 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]c(C)nc21 ZINC001032533141 897712582 /nfs/dbraw/zinc/71/25/82/897712582.db2.gz UMMFMPKCKOBNMK-RYUDHWBXSA-N 1 2 295.346 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]c(C)nc21 ZINC001032533141 897712594 /nfs/dbraw/zinc/71/25/94/897712594.db2.gz UMMFMPKCKOBNMK-RYUDHWBXSA-N 1 2 295.346 0.798 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC(=O)N1 ZINC001032621871 897836871 /nfs/dbraw/zinc/83/68/71/897836871.db2.gz MMBDIHDPJMEAFS-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC(=O)N1 ZINC001032621871 897836875 /nfs/dbraw/zinc/83/68/75/897836875.db2.gz MMBDIHDPJMEAFS-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cccnn12 ZINC001032670989 897916147 /nfs/dbraw/zinc/91/61/47/897916147.db2.gz WAICAMFGFFQUTA-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cccnn12 ZINC001032670989 897916153 /nfs/dbraw/zinc/91/61/53/897916153.db2.gz WAICAMFGFFQUTA-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)s1 ZINC001032679682 897923109 /nfs/dbraw/zinc/92/31/09/897923109.db2.gz BMIGOLBBKFTPIB-UWVGGRQHSA-N 1 2 291.376 0.932 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)s1 ZINC001032679682 897923114 /nfs/dbraw/zinc/92/31/14/897923114.db2.gz BMIGOLBBKFTPIB-UWVGGRQHSA-N 1 2 291.376 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccnc1 ZINC001032685512 897931940 /nfs/dbraw/zinc/93/19/40/897931940.db2.gz HQRIESBNESMZFK-STQMWFEESA-N 1 2 271.320 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccnc1 ZINC001032685512 897931951 /nfs/dbraw/zinc/93/19/51/897931951.db2.gz HQRIESBNESMZFK-STQMWFEESA-N 1 2 271.320 0.379 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC2CC2)nn1 ZINC001032706139 897946347 /nfs/dbraw/zinc/94/63/47/897946347.db2.gz ZXARTAHKCPRFES-STQMWFEESA-N 1 2 285.351 0.220 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC2CC2)nn1 ZINC001032706139 897946354 /nfs/dbraw/zinc/94/63/54/897946354.db2.gz ZXARTAHKCPRFES-STQMWFEESA-N 1 2 285.351 0.220 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077932793 898069284 /nfs/dbraw/zinc/06/92/84/898069284.db2.gz GXFNFKAPDCLOFS-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077932793 898069294 /nfs/dbraw/zinc/06/92/94/898069294.db2.gz GXFNFKAPDCLOFS-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032759315 898120875 /nfs/dbraw/zinc/12/08/75/898120875.db2.gz HOFAMCWGDUGLHW-STQMWFEESA-N 1 2 273.340 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001032761949 898130034 /nfs/dbraw/zinc/13/00/34/898130034.db2.gz PHBWFGQSWMWOQY-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001032761949 898130044 /nfs/dbraw/zinc/13/00/44/898130044.db2.gz PHBWFGQSWMWOQY-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)n[nH]c1C ZINC001032777388 898164535 /nfs/dbraw/zinc/16/45/35/898164535.db2.gz ZBINWAFSXVTIQK-KBPBESRZSA-N 1 2 286.379 0.877 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)n[nH]c1C ZINC001032777388 898164547 /nfs/dbraw/zinc/16/45/47/898164547.db2.gz ZBINWAFSXVTIQK-KBPBESRZSA-N 1 2 286.379 0.877 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001078003040 898176570 /nfs/dbraw/zinc/17/65/70/898176570.db2.gz WEZOIDJLLSOIQU-VXGBXAGGSA-N 1 2 293.367 0.896 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001078003040 898176577 /nfs/dbraw/zinc/17/65/77/898176577.db2.gz WEZOIDJLLSOIQU-VXGBXAGGSA-N 1 2 293.367 0.896 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCOC1 ZINC001032786926 898205300 /nfs/dbraw/zinc/20/53/00/898205300.db2.gz YYPYPOOQAYPVQY-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCOC1 ZINC001032786926 898205316 /nfs/dbraw/zinc/20/53/16/898205316.db2.gz YYPYPOOQAYPVQY-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001078059948 898207975 /nfs/dbraw/zinc/20/79/75/898207975.db2.gz KWLKGZKJZPCSCK-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001078059948 898207994 /nfs/dbraw/zinc/20/79/94/898207994.db2.gz KWLKGZKJZPCSCK-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078079764 898221586 /nfs/dbraw/zinc/22/15/86/898221586.db2.gz IOFJLALMPTWVBI-VXGBXAGGSA-N 1 2 298.774 0.174 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001078244962 898310187 /nfs/dbraw/zinc/31/01/87/898310187.db2.gz XOYQXPGXDCCBML-MGPQQGTHSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001078244962 898310191 /nfs/dbraw/zinc/31/01/91/898310191.db2.gz XOYQXPGXDCCBML-MGPQQGTHSA-N 1 2 278.396 0.997 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1C(C)=O ZINC001032807519 898392994 /nfs/dbraw/zinc/39/29/94/898392994.db2.gz KYAXUYSJFKQVQW-SOUVJXGZSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1C(C)=O ZINC001032807519 898393004 /nfs/dbraw/zinc/39/30/04/898393004.db2.gz KYAXUYSJFKQVQW-SOUVJXGZSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cn1 ZINC001032813932 898444019 /nfs/dbraw/zinc/44/40/19/898444019.db2.gz QCRITSUQXDOVNQ-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cn1 ZINC001032813932 898444029 /nfs/dbraw/zinc/44/40/29/898444029.db2.gz QCRITSUQXDOVNQ-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NCC#N)CCC1 ZINC001326913528 914266596 /nfs/dbraw/zinc/26/65/96/914266596.db2.gz PCLKYKNWCQINRL-UHFFFAOYSA-N 1 2 261.329 0.413 20 30 CCEDLO CN(CC#N)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001494172066 898929962 /nfs/dbraw/zinc/92/99/62/898929962.db2.gz MVPBXIPOAFGQJL-LBPRGKRZSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001327259878 914447926 /nfs/dbraw/zinc/44/79/26/914447926.db2.gz NXRNWSHEFJWGMG-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490449432 900623659 /nfs/dbraw/zinc/62/36/59/900623659.db2.gz RFFCPGZHPBIETP-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490449432 900623666 /nfs/dbraw/zinc/62/36/66/900623666.db2.gz RFFCPGZHPBIETP-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC001412945235 902383266 /nfs/dbraw/zinc/38/32/66/902383266.db2.gz CHBLHURIESMKCU-ORAYPTAESA-N 1 2 282.413 0.426 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC001412945230 902384539 /nfs/dbraw/zinc/38/45/39/902384539.db2.gz CHBLHURIESMKCU-BFUOFWGJSA-N 1 2 282.413 0.426 20 30 CCEDLO CCOC(=O)c1cc(C[NH2+][C@@H]2CCCN(O)C2=O)on1 ZINC001462406590 903106258 /nfs/dbraw/zinc/10/62/58/903106258.db2.gz SEUMKAXHVDXVHG-SECBINFHSA-N 1 2 283.284 0.321 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001280862917 904162493 /nfs/dbraw/zinc/16/24/93/904162493.db2.gz BHFNUNHONVMWIU-NEPJUHHUSA-N 1 2 291.355 0.444 20 30 CCEDLO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)C#CC2CC2)C1)OC ZINC001282511019 904499326 /nfs/dbraw/zinc/49/93/26/904499326.db2.gz KXEPDBWKJLSRFI-AWEZNQCLSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CCN1CC(CCO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001282523641 904502106 /nfs/dbraw/zinc/50/21/06/904502106.db2.gz QRVILKQQSSIWNC-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCCC=C)C1 ZINC001282735063 904535115 /nfs/dbraw/zinc/53/51/15/904535115.db2.gz JZMFCRUWZXMDOF-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc1nnn(C)n1 ZINC001283215336 904762472 /nfs/dbraw/zinc/76/24/72/904762472.db2.gz VBUAKAMQQFXHKX-LLVKDONJSA-N 1 2 294.403 0.797 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C)c1N ZINC001377295560 904765225 /nfs/dbraw/zinc/76/52/25/904765225.db2.gz GACWRTCYQUZYMY-UHFFFAOYSA-N 1 2 285.779 0.807 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C)c1N ZINC001377295560 904765237 /nfs/dbraw/zinc/76/52/37/904765237.db2.gz GACWRTCYQUZYMY-UHFFFAOYSA-N 1 2 285.779 0.807 20 30 CCEDLO C#CCCCC(=O)NCCCNC(=O)Cc1c[nH+]cn1C ZINC001283235277 904771916 /nfs/dbraw/zinc/77/19/16/904771916.db2.gz UMMGIXUUBJSPAI-UHFFFAOYSA-N 1 2 290.367 0.389 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001283605728 904926918 /nfs/dbraw/zinc/92/69/18/904926918.db2.gz JHJQONJUUHXMJP-IINYFYTJSA-N 1 2 296.371 0.642 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001284290216 905238465 /nfs/dbraw/zinc/23/84/65/905238465.db2.gz YSNPIMUGYUTGJJ-LBPRGKRZSA-N 1 2 288.351 0.308 20 30 CCEDLO CC#CCn1nnnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001337440172 921250298 /nfs/dbraw/zinc/25/02/98/921250298.db2.gz REOSSSPGARWQTB-UHFFFAOYSA-N 1 2 298.354 0.121 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001297146743 907030586 /nfs/dbraw/zinc/03/05/86/907030586.db2.gz BRPDPPVZGOTWCA-GHMZBOCLSA-N 1 2 290.367 0.737 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001317169558 907162460 /nfs/dbraw/zinc/16/24/60/907162460.db2.gz ZVMFNVIWTPAUBL-GFCCVEGCSA-N 1 2 297.374 0.455 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001317169558 907162473 /nfs/dbraw/zinc/16/24/73/907162473.db2.gz ZVMFNVIWTPAUBL-GFCCVEGCSA-N 1 2 297.374 0.455 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001298664884 907295295 /nfs/dbraw/zinc/29/52/95/907295295.db2.gz DAEQSBRRXAUFLP-SNVBAGLBSA-N 1 2 278.356 0.848 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001298763863 907322889 /nfs/dbraw/zinc/32/28/89/907322889.db2.gz WZQYJZLHRQOTQY-LBPRGKRZSA-N 1 2 276.340 0.308 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(C)CCC#N ZINC001337953876 921322061 /nfs/dbraw/zinc/32/20/61/921322061.db2.gz RLGZYSNXAZEIRD-VHSXEESVSA-N 1 2 264.333 0.226 20 30 CCEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(C)CCC#N ZINC001337953875 921322214 /nfs/dbraw/zinc/32/22/14/921322214.db2.gz RLGZYSNXAZEIRD-UWVGGRQHSA-N 1 2 264.333 0.226 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)Cc1cncc(OC)n1 ZINC001492236331 907790831 /nfs/dbraw/zinc/79/08/31/907790831.db2.gz LSQORBAPMKLZPX-UHFFFAOYSA-N 1 2 290.367 0.837 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)Cc1cncc(OC)n1 ZINC001492236331 907790838 /nfs/dbraw/zinc/79/08/38/907790838.db2.gz LSQORBAPMKLZPX-UHFFFAOYSA-N 1 2 290.367 0.837 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001317299942 908049427 /nfs/dbraw/zinc/04/94/27/908049427.db2.gz PTBFXXWOCHLYPA-MNOVXSKESA-N 1 2 294.380 0.267 20 30 CCEDLO CC[C@H]1CC[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)O1 ZINC001316965240 908701308 /nfs/dbraw/zinc/70/13/08/908701308.db2.gz VNLHVPQJSOXNPR-UONOGXRCSA-N 1 2 294.399 0.201 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001316824684 908791571 /nfs/dbraw/zinc/79/15/71/908791571.db2.gz LDOACRTVXWPWCQ-LLVKDONJSA-N 1 2 293.371 0.090 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001316824684 908791582 /nfs/dbraw/zinc/79/15/82/908791582.db2.gz LDOACRTVXWPWCQ-LLVKDONJSA-N 1 2 293.371 0.090 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001316965013 908872131 /nfs/dbraw/zinc/87/21/31/908872131.db2.gz NHUGQEYKQKMQID-CYBMUJFWSA-N 1 2 299.365 0.789 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C2(CCF)CC2)CC1 ZINC001316966148 908875120 /nfs/dbraw/zinc/87/51/20/908875120.db2.gz YKQZBCXOBYIMIC-UHFFFAOYSA-N 1 2 282.363 0.384 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001316967513 908879212 /nfs/dbraw/zinc/87/92/12/908879212.db2.gz CJGBHCUNUDCTRS-AWEZNQCLSA-N 1 2 265.401 0.646 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001386975531 908981837 /nfs/dbraw/zinc/98/18/37/908981837.db2.gz OVXLZPYLJPCOLZ-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001317447780 909221744 /nfs/dbraw/zinc/22/17/44/909221744.db2.gz HIQCHPFZCKSMHQ-CYBMUJFWSA-N 1 2 290.367 0.371 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001317447780 909221757 /nfs/dbraw/zinc/22/17/57/909221757.db2.gz HIQCHPFZCKSMHQ-CYBMUJFWSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001317524447 909294796 /nfs/dbraw/zinc/29/47/96/909294796.db2.gz XHJVSKULSMTKSJ-LBPRGKRZSA-N 1 2 294.355 0.519 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001317524447 909294804 /nfs/dbraw/zinc/29/48/04/909294804.db2.gz XHJVSKULSMTKSJ-LBPRGKRZSA-N 1 2 294.355 0.519 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001317537399 909306760 /nfs/dbraw/zinc/30/67/60/909306760.db2.gz PLJGFUQUXGWXKS-GFCCVEGCSA-N 1 2 292.387 0.505 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001317537399 909306779 /nfs/dbraw/zinc/30/67/79/909306779.db2.gz PLJGFUQUXGWXKS-GFCCVEGCSA-N 1 2 292.387 0.505 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001317572605 909357262 /nfs/dbraw/zinc/35/72/62/909357262.db2.gz HLCWQXIMUDFYFK-BDAKNGLRSA-N 1 2 265.317 0.647 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cnon2)cc1 ZINC001317615340 909406953 /nfs/dbraw/zinc/40/69/53/909406953.db2.gz HUUFKRONGFFYFD-UHFFFAOYSA-N 1 2 284.319 0.913 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001317969237 909555142 /nfs/dbraw/zinc/55/51/42/909555142.db2.gz QVUWNIOEPOQNQX-WFASDCNBSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001317969237 909555153 /nfs/dbraw/zinc/55/51/53/909555153.db2.gz QVUWNIOEPOQNQX-WFASDCNBSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001318007866 909570998 /nfs/dbraw/zinc/57/09/98/909570998.db2.gz ODIFKCDHHNTHDO-UHFFFAOYSA-N 1 2 262.357 0.729 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001318355869 909721737 /nfs/dbraw/zinc/72/17/37/909721737.db2.gz LXDZCUWNZNXRFY-GFCCVEGCSA-N 1 2 290.367 0.173 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001318355869 909721746 /nfs/dbraw/zinc/72/17/46/909721746.db2.gz LXDZCUWNZNXRFY-GFCCVEGCSA-N 1 2 290.367 0.173 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001318379394 909729124 /nfs/dbraw/zinc/72/91/24/909729124.db2.gz HLOVOQYEXXGWSC-NSHDSACASA-N 1 2 285.363 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001318379394 909729138 /nfs/dbraw/zinc/72/91/38/909729138.db2.gz HLOVOQYEXXGWSC-NSHDSACASA-N 1 2 285.363 0.569 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001318992210 909947303 /nfs/dbraw/zinc/94/73/03/909947303.db2.gz PMSSCHRUEWYXGK-NSHDSACASA-N 1 2 252.362 0.288 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(CC)CCCC1 ZINC001492484499 910000736 /nfs/dbraw/zinc/00/07/36/910000736.db2.gz LCUYTXMEDSQKLW-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(CC)CCCC1 ZINC001492484499 910000759 /nfs/dbraw/zinc/00/07/59/910000759.db2.gz LCUYTXMEDSQKLW-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001319295000 910075918 /nfs/dbraw/zinc/07/59/18/910075918.db2.gz IHVJMJDLIKWFGE-OLZOCXBDSA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001319295000 910075930 /nfs/dbraw/zinc/07/59/30/910075930.db2.gz IHVJMJDLIKWFGE-OLZOCXBDSA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2cn(C)nc2C)C1 ZINC001319307506 910087940 /nfs/dbraw/zinc/08/79/40/910087940.db2.gz HRSSZIPCSAWGOQ-CQSZACIVSA-N 1 2 292.383 0.274 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2cn(C)nc2C)C1 ZINC001319307506 910087953 /nfs/dbraw/zinc/08/79/53/910087953.db2.gz HRSSZIPCSAWGOQ-CQSZACIVSA-N 1 2 292.383 0.274 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001319922262 910353484 /nfs/dbraw/zinc/35/34/84/910353484.db2.gz MAMQHAGFHBHWQH-JSGCOSHPSA-N 1 2 289.383 0.699 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)/C=C\C(C)(C)C ZINC001319981084 910389555 /nfs/dbraw/zinc/38/95/55/910389555.db2.gz KIXXIUXELNSVQM-SREVYHEPSA-N 1 2 294.399 0.619 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)/C=C\C(C)(C)C ZINC001319981084 910389570 /nfs/dbraw/zinc/38/95/70/910389570.db2.gz KIXXIUXELNSVQM-SREVYHEPSA-N 1 2 294.399 0.619 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)/C(C)=C\C ZINC001319990502 910400205 /nfs/dbraw/zinc/40/02/05/910400205.db2.gz QSCLDCNKXGXDPW-GHXNOFRVSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)/C(C)=C\C ZINC001319990502 910400215 /nfs/dbraw/zinc/40/02/15/910400215.db2.gz QSCLDCNKXGXDPW-GHXNOFRVSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001320199999 910511869 /nfs/dbraw/zinc/51/18/69/910511869.db2.gz DNDRTYKLXOMWTI-KOLCDFICSA-N 1 2 282.344 0.472 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC001320215095 910530041 /nfs/dbraw/zinc/53/00/41/910530041.db2.gz BUMWSRKSDPAAFB-QWRGUYRKSA-N 1 2 296.396 0.325 20 30 CCEDLO CC(=O)CSCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001320913050 910930481 /nfs/dbraw/zinc/93/04/81/910930481.db2.gz JEGYCCLZXHLZAV-UHFFFAOYSA-N 1 2 269.370 0.413 20 30 CCEDLO Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N ZINC001320998230 910996609 /nfs/dbraw/zinc/99/66/09/910996609.db2.gz NHLPNRNFOLGSHF-XOULXFPDSA-N 1 2 262.313 0.905 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001417970263 921740249 /nfs/dbraw/zinc/74/02/49/921740249.db2.gz PQDFPBIYAZVHKB-KCJUWKMLSA-N 1 2 279.369 0.682 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001400935743 915992708 /nfs/dbraw/zinc/99/27/08/915992708.db2.gz MIIRDIBQDLTEAH-YGRLFVJLSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@@H](C)COC)C1 ZINC001329668066 916112807 /nfs/dbraw/zinc/11/28/07/916112807.db2.gz OVFQTXHLKHJXFU-UONOGXRCSA-N 1 2 296.411 0.481 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001401361399 916198758 /nfs/dbraw/zinc/19/87/58/916198758.db2.gz HMLNNESHISKDKP-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001401361399 916198771 /nfs/dbraw/zinc/19/87/71/916198771.db2.gz HMLNNESHISKDKP-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001401375830 916224809 /nfs/dbraw/zinc/22/48/09/916224809.db2.gz NYLPZCCTKVFKLG-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001401375830 916224831 /nfs/dbraw/zinc/22/48/31/916224831.db2.gz NYLPZCCTKVFKLG-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C#CCCCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001329982323 916332465 /nfs/dbraw/zinc/33/24/65/916332465.db2.gz CSXOPRFSIILBGO-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)/C(C)=C\C)C1 ZINC001329983305 916334290 /nfs/dbraw/zinc/33/42/90/916334290.db2.gz HSXBBHMFNCMLOU-HUMZTAOYSA-N 1 2 277.368 0.139 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001330851351 916917573 /nfs/dbraw/zinc/91/75/73/916917573.db2.gz MMMNPAZFPYPXNL-CHWSQXEVSA-N 1 2 289.383 0.844 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001330851352 916917865 /nfs/dbraw/zinc/91/78/65/916917865.db2.gz MMMNPAZFPYPXNL-OLZOCXBDSA-N 1 2 289.383 0.844 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001331203927 917179088 /nfs/dbraw/zinc/17/90/88/917179088.db2.gz MSDFWVQIMMPJNN-KBPBESRZSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001331203927 917179099 /nfs/dbraw/zinc/17/90/99/917179099.db2.gz MSDFWVQIMMPJNN-KBPBESRZSA-N 1 2 288.351 0.437 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001332664952 918365345 /nfs/dbraw/zinc/36/53/45/918365345.db2.gz ORTMSEOZHHEMTP-LBPRGKRZSA-N 1 2 290.367 0.285 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001332664952 918365357 /nfs/dbraw/zinc/36/53/57/918365357.db2.gz ORTMSEOZHHEMTP-LBPRGKRZSA-N 1 2 290.367 0.285 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001406645978 919411957 /nfs/dbraw/zinc/41/19/57/919411957.db2.gz BYLBZORRZRGNJI-MRVPVSSYSA-N 1 2 272.740 0.013 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001406645978 919411965 /nfs/dbraw/zinc/41/19/65/919411965.db2.gz BYLBZORRZRGNJI-MRVPVSSYSA-N 1 2 272.740 0.013 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1csnn1)C1CC1 ZINC001406744330 919451467 /nfs/dbraw/zinc/45/14/67/919451467.db2.gz BBPGCRURLXIUNA-KCJUWKMLSA-N 1 2 279.369 0.682 20 30 CCEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)NCCC#N)C2)no1 ZINC001334462791 919606314 /nfs/dbraw/zinc/60/63/14/919606314.db2.gz DITLJOPZWMBEQX-SNVBAGLBSA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)NCCC#N)C2)no1 ZINC001334462791 919606324 /nfs/dbraw/zinc/60/63/24/919606324.db2.gz DITLJOPZWMBEQX-SNVBAGLBSA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001407876653 919933015 /nfs/dbraw/zinc/93/30/15/919933015.db2.gz MFTUWDDMRAQPHM-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001407876653 919933033 /nfs/dbraw/zinc/93/30/33/919933033.db2.gz MFTUWDDMRAQPHM-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO CC(C)C[N@H+](C)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336678752 920921601 /nfs/dbraw/zinc/92/16/01/920921601.db2.gz JCEVQQNNNRTROH-UHFFFAOYSA-N 1 2 293.371 0.335 20 30 CCEDLO CC(C)C[N@@H+](C)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336678752 920921617 /nfs/dbraw/zinc/92/16/17/920921617.db2.gz JCEVQQNNNRTROH-UHFFFAOYSA-N 1 2 293.371 0.335 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC001418448118 922124752 /nfs/dbraw/zinc/12/47/52/922124752.db2.gz KGAMJIDHASZXJU-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC001418448118 922124758 /nfs/dbraw/zinc/12/47/58/922124758.db2.gz KGAMJIDHASZXJU-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419089358 922633346 /nfs/dbraw/zinc/63/33/46/922633346.db2.gz LXHPKEAZGRABEU-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419089358 922633354 /nfs/dbraw/zinc/63/33/54/922633354.db2.gz LXHPKEAZGRABEU-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001419545341 922906982 /nfs/dbraw/zinc/90/69/82/922906982.db2.gz QCBZRENBJUUVPH-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001419545341 922906990 /nfs/dbraw/zinc/90/69/90/922906990.db2.gz QCBZRENBJUUVPH-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO COc1cncc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)n1 ZINC001420192687 923394414 /nfs/dbraw/zinc/39/44/14/923394414.db2.gz PZRMPPLQKFZSMM-JTQLQIEISA-N 1 2 277.328 0.193 20 30 CCEDLO COc1cncc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)n1 ZINC001420192687 923394427 /nfs/dbraw/zinc/39/44/27/923394427.db2.gz PZRMPPLQKFZSMM-JTQLQIEISA-N 1 2 277.328 0.193 20 30 CCEDLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001420471777 923693885 /nfs/dbraw/zinc/69/38/85/923693885.db2.gz HLFJUWGORTYRRB-NWDGAFQWSA-N 1 2 290.371 0.538 20 30 CCEDLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001420471777 923693892 /nfs/dbraw/zinc/69/38/92/923693892.db2.gz HLFJUWGORTYRRB-NWDGAFQWSA-N 1 2 290.371 0.538 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCCC#N ZINC001346463012 924227419 /nfs/dbraw/zinc/22/74/19/924227419.db2.gz LAUUYNGXWFCILY-NSHDSACASA-N 1 2 278.312 0.694 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCCC#N ZINC001346463012 924227427 /nfs/dbraw/zinc/22/74/27/924227427.db2.gz LAUUYNGXWFCILY-NSHDSACASA-N 1 2 278.312 0.694 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC001421285726 924255491 /nfs/dbraw/zinc/25/54/91/924255491.db2.gz YAYSIECAICUSJJ-SMDDNHRTSA-N 1 2 291.355 0.948 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC001421285726 924255506 /nfs/dbraw/zinc/25/55/06/924255506.db2.gz YAYSIECAICUSJJ-SMDDNHRTSA-N 1 2 291.355 0.948 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC001347114741 924374014 /nfs/dbraw/zinc/37/40/14/924374014.db2.gz XIGBLGNRHHLVIQ-SDDRHHMPSA-N 1 2 275.370 0.075 20 30 CCEDLO C=CCO[C@H]1CC[N@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC001347114741 924374023 /nfs/dbraw/zinc/37/40/23/924374023.db2.gz XIGBLGNRHHLVIQ-SDDRHHMPSA-N 1 2 275.370 0.075 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347187357 924393595 /nfs/dbraw/zinc/39/35/95/924393595.db2.gz QTILFIFMXUKHAQ-CABCVRRESA-N 1 2 290.411 0.289 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001347187357 924393601 /nfs/dbraw/zinc/39/36/01/924393601.db2.gz QTILFIFMXUKHAQ-CABCVRRESA-N 1 2 290.411 0.289 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001347234000 924404005 /nfs/dbraw/zinc/40/40/05/924404005.db2.gz LRQQVXDHWSFVPC-LBPRGKRZSA-N 1 2 294.355 0.166 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001347234000 924404009 /nfs/dbraw/zinc/40/40/09/924404009.db2.gz LRQQVXDHWSFVPC-LBPRGKRZSA-N 1 2 294.355 0.166 20 30 CCEDLO C[C@@H](CNC(=O)NCCCCC#N)[NH+]1CCN(C)CC1 ZINC001347345140 924427062 /nfs/dbraw/zinc/42/70/62/924427062.db2.gz SSJRWGDZUICRLB-ZDUSSCGKSA-N 1 2 281.404 0.615 20 30 CCEDLO C=C(C)CCC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001348239099 924626824 /nfs/dbraw/zinc/62/68/24/924626824.db2.gz IIGGJOJXIWIUFU-UHFFFAOYSA-N 1 2 290.367 0.979 20 30 CCEDLO CON=CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348317664 924649684 /nfs/dbraw/zinc/64/96/84/924649684.db2.gz MNMLEVVZERJNKZ-UHFFFAOYSA-N 1 2 250.302 0.758 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001348725949 924786096 /nfs/dbraw/zinc/78/60/96/924786096.db2.gz MFEXTYMXSLLIRD-CQSZACIVSA-N 1 2 298.431 0.514 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001350562283 925225168 /nfs/dbraw/zinc/22/51/68/925225168.db2.gz IHYKVDQGCCISGU-VXGBXAGGSA-N 1 2 273.336 0.510 20 30 CCEDLO C#CC1(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CCCC1 ZINC001352221645 925546261 /nfs/dbraw/zinc/54/62/61/925546261.db2.gz YEIVLGNTVTXPDG-AWEZNQCLSA-N 1 2 292.427 0.868 20 30 CCEDLO C#CCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001354129162 926021984 /nfs/dbraw/zinc/02/19/84/926021984.db2.gz VOFBSIRVCQRQHW-UHFFFAOYSA-N 1 2 261.325 0.719 20 30 CCEDLO C#CCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001354129162 926021993 /nfs/dbraw/zinc/02/19/93/926021993.db2.gz VOFBSIRVCQRQHW-UHFFFAOYSA-N 1 2 261.325 0.719 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001356254765 926360339 /nfs/dbraw/zinc/36/03/39/926360339.db2.gz WNJKQJLSIQIFEX-NEPJUHHUSA-N 1 2 281.356 0.331 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001356254765 926360347 /nfs/dbraw/zinc/36/03/47/926360347.db2.gz WNJKQJLSIQIFEX-NEPJUHHUSA-N 1 2 281.356 0.331 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001356899418 926461906 /nfs/dbraw/zinc/46/19/06/926461906.db2.gz BKPPFQLRUUOYSO-ZDUSSCGKSA-N 1 2 288.351 0.308 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCOCC)CC1 ZINC001359029898 926883625 /nfs/dbraw/zinc/88/36/25/926883625.db2.gz KBXLNTVGKOALAY-UHFFFAOYSA-N 1 2 277.372 0.378 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2ccon2)CC1 ZINC001424639210 928235578 /nfs/dbraw/zinc/23/55/78/928235578.db2.gz KNWUHDQFTVUZAU-UHFFFAOYSA-N 1 2 299.758 0.984 20 30 CCEDLO CCc1[nH]c(CNS(=O)(=O)N(C)C[C@H](C)C#N)c[nH+]1 ZINC001424794839 928299421 /nfs/dbraw/zinc/29/94/21/928299421.db2.gz NRLFGNSEGYOHED-SECBINFHSA-N 1 2 285.373 0.398 20 30 CCEDLO CCc1[nH]cc(CNS(=O)(=O)N(C)C[C@H](C)C#N)[nH+]1 ZINC001424794839 928299434 /nfs/dbraw/zinc/29/94/34/928299434.db2.gz NRLFGNSEGYOHED-SECBINFHSA-N 1 2 285.373 0.398 20 30 CCEDLO COc1cncc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001444959128 929983605 /nfs/dbraw/zinc/98/36/05/929983605.db2.gz WDFTXOLHWXUGBO-NSHDSACASA-N 1 2 291.355 0.535 20 30 CCEDLO COc1cncc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001444959128 929983618 /nfs/dbraw/zinc/98/36/18/929983618.db2.gz WDFTXOLHWXUGBO-NSHDSACASA-N 1 2 291.355 0.535 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cnn(C)n1 ZINC001445027151 930010491 /nfs/dbraw/zinc/01/04/91/930010491.db2.gz AJJARDRVRUWAQV-UHFFFAOYSA-N 1 2 299.806 0.890 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cnn(C)n1 ZINC001445027151 930010506 /nfs/dbraw/zinc/01/05/06/930010506.db2.gz AJJARDRVRUWAQV-UHFFFAOYSA-N 1 2 299.806 0.890 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446666595 930455596 /nfs/dbraw/zinc/45/55/96/930455596.db2.gz HVPXOVUSIMVCIW-GHMZBOCLSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC001447307599 930605257 /nfs/dbraw/zinc/60/52/57/930605257.db2.gz SFLBWQOSCRZFNF-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC001447307599 930605263 /nfs/dbraw/zinc/60/52/63/930605263.db2.gz SFLBWQOSCRZFNF-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)CN[C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001448946252 931032780 /nfs/dbraw/zinc/03/27/80/931032780.db2.gz AMRAEZNFEWKXPR-LLVKDONJSA-N 1 2 286.763 0.011 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001448978961 931041778 /nfs/dbraw/zinc/04/17/78/931041778.db2.gz UXBCICSCRAHGSP-GMTAPVOTSA-N 1 2 289.339 0.247 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001448978961 931041787 /nfs/dbraw/zinc/04/17/87/931041787.db2.gz UXBCICSCRAHGSP-GMTAPVOTSA-N 1 2 289.339 0.247 20 30 CCEDLO CC(C)c1noc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001376709688 931235793 /nfs/dbraw/zinc/23/57/93/931235793.db2.gz XVJMEVMNFNFNQQ-ZJUUUORDSA-N 1 2 279.344 0.947 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)C(N)=O ZINC000093139423 349528806 /nfs/dbraw/zinc/52/88/06/349528806.db2.gz WIXZAFCQSWAUPF-VIFPVBQESA-N 1 2 267.354 0.942 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)C(N)=O ZINC000093139423 349528807 /nfs/dbraw/zinc/52/88/07/349528807.db2.gz WIXZAFCQSWAUPF-VIFPVBQESA-N 1 2 267.354 0.942 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@H](C)COC ZINC000617575701 365684476 /nfs/dbraw/zinc/68/44/76/365684476.db2.gz CCOYJMVKCXAUNT-CYBMUJFWSA-N 1 2 299.415 0.492 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@H](C)COC ZINC000617575701 365684477 /nfs/dbraw/zinc/68/44/77/365684477.db2.gz CCOYJMVKCXAUNT-CYBMUJFWSA-N 1 2 299.415 0.492 20 30 CCEDLO C=CCOC[C@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC000600152512 361878293 /nfs/dbraw/zinc/87/82/93/361878293.db2.gz BOXVZNOPQOWJPW-NSHDSACASA-N 1 2 267.329 0.860 20 30 CCEDLO N#CCCN1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000601261513 362193926 /nfs/dbraw/zinc/19/39/26/362193926.db2.gz HMYFALJXJASAJJ-UHFFFAOYSA-N 1 2 274.328 0.317 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601316071 362215355 /nfs/dbraw/zinc/21/53/55/362215355.db2.gz SIOIYHUHKFWTER-NWDGAFQWSA-N 1 2 289.401 0.128 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601316071 362215358 /nfs/dbraw/zinc/21/53/58/362215358.db2.gz SIOIYHUHKFWTER-NWDGAFQWSA-N 1 2 289.401 0.128 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681950 362353518 /nfs/dbraw/zinc/35/35/18/362353518.db2.gz BLGOJBBGNDSFAQ-NSHDSACASA-N 1 2 263.341 0.517 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681950 362353524 /nfs/dbraw/zinc/35/35/24/362353524.db2.gz BLGOJBBGNDSFAQ-NSHDSACASA-N 1 2 263.341 0.517 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)CO)n1cc[nH+]c1 ZINC000602159811 362534433 /nfs/dbraw/zinc/53/44/33/362534433.db2.gz VQMKMQMOKCGTFP-MNOVXSKESA-N 1 2 250.302 0.471 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(CC2CC2)c1 ZINC000602331368 362589049 /nfs/dbraw/zinc/58/90/49/362589049.db2.gz CHTPTKRRBCCGFZ-AWEZNQCLSA-N 1 2 275.356 0.867 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602482013 362638481 /nfs/dbraw/zinc/63/84/81/362638481.db2.gz DZVWBTQXBCOYRU-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602482013 362638483 /nfs/dbraw/zinc/63/84/83/362638483.db2.gz DZVWBTQXBCOYRU-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270628364 190749349 /nfs/dbraw/zinc/74/93/49/190749349.db2.gz CARYUSZBVDBFOO-UHFFFAOYSA-N 1 2 277.284 0.099 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000602643293 362728519 /nfs/dbraw/zinc/72/85/19/362728519.db2.gz DBRFNIUVLAKDCL-AGIUHOORSA-N 1 2 298.383 0.768 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]Cc2ccc(C#N)cc2)nn1 ZINC000120061225 349967558 /nfs/dbraw/zinc/96/75/58/349967558.db2.gz LYBWGYVEKKSGFA-UHFFFAOYSA-N 1 2 285.307 0.613 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602747878 362780125 /nfs/dbraw/zinc/78/01/25/362780125.db2.gz HPXJYBZPZILYPI-UHFFFAOYSA-N 1 2 255.325 0.985 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602816282 362817312 /nfs/dbraw/zinc/81/73/12/362817312.db2.gz UMTUNTPKZVHWKC-GHMZBOCLSA-N 1 2 252.314 0.679 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602816282 362817317 /nfs/dbraw/zinc/81/73/17/362817317.db2.gz UMTUNTPKZVHWKC-GHMZBOCLSA-N 1 2 252.314 0.679 20 30 CCEDLO Cc1[nH]c(CN2CCN(C(=O)CC#N)CC2)[nH+]c1C ZINC000602840803 362829880 /nfs/dbraw/zinc/82/98/80/362829880.db2.gz LRJYNVKVMPBHDU-UHFFFAOYSA-N 1 2 261.329 0.584 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@@H](C)N1CC#N ZINC000602853521 362841220 /nfs/dbraw/zinc/84/12/20/362841220.db2.gz JMNAUPAAIBSOBQ-VXGBXAGGSA-N 1 2 264.373 0.431 20 30 CCEDLO C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@@H](C)N1CC#N ZINC000602855099 362842484 /nfs/dbraw/zinc/84/24/84/362842484.db2.gz RSXHRUSWMJWGJE-CHWSQXEVSA-N 1 2 299.440 0.729 20 30 CCEDLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)n(C)n1 ZINC000340623138 137085812 /nfs/dbraw/zinc/08/58/12/137085812.db2.gz RYRDGQHXTYOITI-CQSZACIVSA-N 1 2 283.335 0.916 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741902 137154263 /nfs/dbraw/zinc/15/42/63/137154263.db2.gz GZNAWFSJKKPQIL-ZYHUDNBSSA-N 1 2 295.364 0.182 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741902 137154264 /nfs/dbraw/zinc/15/42/64/137154264.db2.gz GZNAWFSJKKPQIL-ZYHUDNBSSA-N 1 2 295.364 0.182 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CC1 ZINC000343976146 137170730 /nfs/dbraw/zinc/17/07/30/137170730.db2.gz TUSGOVOVAPFSGK-UHFFFAOYSA-N 1 2 295.364 0.184 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CC1 ZINC000343976146 137170731 /nfs/dbraw/zinc/17/07/31/137170731.db2.gz TUSGOVOVAPFSGK-UHFFFAOYSA-N 1 2 295.364 0.184 20 30 CCEDLO COCCOCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344120849 137178529 /nfs/dbraw/zinc/17/85/29/137178529.db2.gz ROSWOXIODGIVMM-AWEZNQCLSA-N 1 2 291.351 0.679 20 30 CCEDLO COCCOCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344120849 137178530 /nfs/dbraw/zinc/17/85/30/137178530.db2.gz ROSWOXIODGIVMM-AWEZNQCLSA-N 1 2 291.351 0.679 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446168 348112486 /nfs/dbraw/zinc/11/24/86/348112486.db2.gz IQKLIPCYLLPXLO-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444704 348112515 /nfs/dbraw/zinc/11/25/15/348112515.db2.gz VCQIBCAGWFQLKL-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000024201991 348086750 /nfs/dbraw/zinc/08/67/50/348086750.db2.gz JEDNOFHANPNRDT-UHFFFAOYSA-N 1 2 256.313 0.188 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000602871683 362852665 /nfs/dbraw/zinc/85/26/65/362852665.db2.gz UIKXXMPNBXGVHR-MNOVXSKESA-N 1 2 281.356 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973756 362916182 /nfs/dbraw/zinc/91/61/82/362916182.db2.gz FCRCSRXHTJIZAC-QWRGUYRKSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973756 362916189 /nfs/dbraw/zinc/91/61/89/362916189.db2.gz FCRCSRXHTJIZAC-QWRGUYRKSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046512461 348359061 /nfs/dbraw/zinc/35/90/61/348359061.db2.gz ZCKZZHVOBUQMBM-UHFFFAOYSA-N 1 2 267.373 0.630 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046512461 348359062 /nfs/dbraw/zinc/35/90/62/348359062.db2.gz ZCKZZHVOBUQMBM-UHFFFAOYSA-N 1 2 267.373 0.630 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977771 362917548 /nfs/dbraw/zinc/91/75/48/362917548.db2.gz HCDBZCMTSMPTPX-QWRGUYRKSA-N 1 2 259.375 0.550 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977771 362917557 /nfs/dbraw/zinc/91/75/57/362917557.db2.gz HCDBZCMTSMPTPX-QWRGUYRKSA-N 1 2 259.375 0.550 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)NCC ZINC000052188297 348506486 /nfs/dbraw/zinc/50/64/86/348506486.db2.gz FHJKYALMEXHRIR-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)NCC ZINC000052188297 348506487 /nfs/dbraw/zinc/50/64/87/348506487.db2.gz FHJKYALMEXHRIR-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000056510906 348592358 /nfs/dbraw/zinc/59/23/58/348592358.db2.gz DJYREDFTLNAEOP-OAHLLOKOSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000056510906 348592362 /nfs/dbraw/zinc/59/23/62/348592362.db2.gz DJYREDFTLNAEOP-OAHLLOKOSA-N 1 2 296.415 0.841 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000059730617 348638559 /nfs/dbraw/zinc/63/85/59/348638559.db2.gz BLMRNFQMJNQZDW-UHFFFAOYSA-N 1 2 271.367 0.556 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000071276199 348907405 /nfs/dbraw/zinc/90/74/05/348907405.db2.gz FQIYFQLCVDNVSE-UHFFFAOYSA-N 1 2 290.348 0.911 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000076802108 349091445 /nfs/dbraw/zinc/09/14/45/349091445.db2.gz XPVVCDVQXKMSLB-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000076802108 349091449 /nfs/dbraw/zinc/09/14/49/349091449.db2.gz XPVVCDVQXKMSLB-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO COCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512712 349270556 /nfs/dbraw/zinc/27/05/56/349270556.db2.gz LIQILQWEGIMPSW-UHFFFAOYSA-N 1 2 282.365 0.910 20 30 CCEDLO COCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512712 349270558 /nfs/dbraw/zinc/27/05/58/349270558.db2.gz LIQILQWEGIMPSW-UHFFFAOYSA-N 1 2 282.365 0.910 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603087745 362956367 /nfs/dbraw/zinc/95/63/67/362956367.db2.gz ONQPXEDDUJBOPD-TZMCWYRMSA-N 1 2 292.360 0.399 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603087745 362956374 /nfs/dbraw/zinc/95/63/74/362956374.db2.gz ONQPXEDDUJBOPD-TZMCWYRMSA-N 1 2 292.360 0.399 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](O)C2)c1 ZINC000147431146 350469015 /nfs/dbraw/zinc/46/90/15/350469015.db2.gz ZIFYQNFVVKDTBO-LBPRGKRZSA-N 1 2 280.349 0.399 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000147431146 350469019 /nfs/dbraw/zinc/46/90/19/350469019.db2.gz ZIFYQNFVVKDTBO-LBPRGKRZSA-N 1 2 280.349 0.399 20 30 CCEDLO N#Cc1ccc(CS(=O)(=O)NCC(F)(F)C[NH3+])cc1 ZINC000162634073 350748313 /nfs/dbraw/zinc/74/83/13/350748313.db2.gz OMCKADVIGHABQF-UHFFFAOYSA-N 1 2 289.307 0.572 20 30 CCEDLO Cc1cccn2cc(Cn3cc(CNCC#N)nn3)[nH+]c12 ZINC000603202790 362997992 /nfs/dbraw/zinc/99/79/92/362997992.db2.gz CQDDGEKFNXHFEF-UHFFFAOYSA-N 1 2 281.323 0.896 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCN1CCc2ccccc21 ZINC000174524375 351089341 /nfs/dbraw/zinc/08/93/41/351089341.db2.gz DYRYJDGNSOAIDP-UHFFFAOYSA-N 1 2 295.386 0.734 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186026971 351472751 /nfs/dbraw/zinc/47/27/51/351472751.db2.gz PZAHJTBVISKCBZ-GFCCVEGCSA-N 1 2 258.325 0.935 20 30 CCEDLO C=CCOCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000618525489 366039053 /nfs/dbraw/zinc/03/90/53/366039053.db2.gz CHTLMUSYKFWVQP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000618525489 366039058 /nfs/dbraw/zinc/03/90/58/366039058.db2.gz CHTLMUSYKFWVQP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271510859 191183794 /nfs/dbraw/zinc/18/37/94/191183794.db2.gz VRZAKVIFHVGHMK-UHFFFAOYSA-N 1 2 298.383 0.411 20 30 CCEDLO N#Cc1ccnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000264702270 352596725 /nfs/dbraw/zinc/59/67/25/352596725.db2.gz KHYRAVJTZOAHKZ-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267410747 352765961 /nfs/dbraw/zinc/76/59/61/352765961.db2.gz RSWQATMVJSURNZ-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO N#Cc1c(F)cccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000269938989 352887112 /nfs/dbraw/zinc/88/71/12/352887112.db2.gz FUONTQLLBPZVKP-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO N#Cc1c(F)cccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000269938989 352887114 /nfs/dbraw/zinc/88/71/14/352887114.db2.gz FUONTQLLBPZVKP-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO C#CCC(CC#C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000277629528 353255350 /nfs/dbraw/zinc/25/53/50/353255350.db2.gz JFNKENFKIUMYRH-AWEZNQCLSA-N 1 2 275.396 0.401 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156717763 188277981 /nfs/dbraw/zinc/27/79/81/188277981.db2.gz YMRRZXDCEJZVCN-IHRRRGAJSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156717763 188277982 /nfs/dbraw/zinc/27/79/82/188277982.db2.gz YMRRZXDCEJZVCN-IHRRRGAJSA-N 1 2 290.319 0.200 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282643768 353441858 /nfs/dbraw/zinc/44/18/58/353441858.db2.gz FGELNFUPZPTGNM-CYBMUJFWSA-N 1 2 272.352 0.931 20 30 CCEDLO NC(=[NH+]OCc1nc(C2CC2)no1)[C@H]1CCCO1 ZINC000284033815 353544829 /nfs/dbraw/zinc/54/48/29/353544829.db2.gz IQHJCCXMEFOFPD-MRVPVSSYSA-N 1 2 252.274 0.915 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000287376309 353641946 /nfs/dbraw/zinc/64/19/46/353641946.db2.gz OGDNZOICQJKFBZ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000287376309 353641947 /nfs/dbraw/zinc/64/19/47/353641947.db2.gz OGDNZOICQJKFBZ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C#CC[NH+](CC#C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304337536 354113749 /nfs/dbraw/zinc/11/37/49/354113749.db2.gz XKUREBSFYVQMCS-ZNMIVQPWSA-N 1 2 264.369 0.025 20 30 CCEDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)cnn1C ZINC000619184223 366215430 /nfs/dbraw/zinc/21/54/30/366215430.db2.gz FMZOFNXZFWVREH-GFCCVEGCSA-N 1 2 277.372 0.921 20 30 CCEDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)cnn1C ZINC000619184223 366215435 /nfs/dbraw/zinc/21/54/35/366215435.db2.gz FMZOFNXZFWVREH-GFCCVEGCSA-N 1 2 277.372 0.921 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)cc1C#N ZINC000331367746 354555098 /nfs/dbraw/zinc/55/50/98/354555098.db2.gz BNIRCTRWXUGIHW-CQSZACIVSA-N 1 2 286.339 0.389 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)cc1C#N ZINC000331367746 354555101 /nfs/dbraw/zinc/55/51/01/354555101.db2.gz BNIRCTRWXUGIHW-CQSZACIVSA-N 1 2 286.339 0.389 20 30 CCEDLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)n1cnc(C#N)n1 ZINC000336961850 355234381 /nfs/dbraw/zinc/23/43/81/355234381.db2.gz CKPQDLKQMXGYJI-SECBINFHSA-N 1 2 281.279 0.997 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000338302461 355315507 /nfs/dbraw/zinc/31/55/07/355315507.db2.gz JPPRFIYKKNAUDL-GFCCVEGCSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000338302461 355315510 /nfs/dbraw/zinc/31/55/10/355315510.db2.gz JPPRFIYKKNAUDL-GFCCVEGCSA-N 1 2 294.399 0.593 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](COCC3CC3)C2)C1=O ZINC000337182581 355279728 /nfs/dbraw/zinc/27/97/28/355279728.db2.gz BJLZBOQGGKGTJQ-GJZGRUSLSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](COCC3CC3)C2)C1=O ZINC000337182581 355279730 /nfs/dbraw/zinc/27/97/30/355279730.db2.gz BJLZBOQGGKGTJQ-GJZGRUSLSA-N 1 2 294.395 0.901 20 30 CCEDLO Cc1cc(NCCCc2[nH]nc(N)c2C#N)c(C#N)c[nH+]1 ZINC000425205417 235272835 /nfs/dbraw/zinc/27/28/35/235272835.db2.gz WBJIBZIYWSHMJY-UHFFFAOYSA-N 1 2 281.323 0.736 20 30 CCEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(=O)NCC#N)c1 ZINC000343516538 355772650 /nfs/dbraw/zinc/77/26/50/355772650.db2.gz IQAYKTJWRZEWKM-UHFFFAOYSA-N 1 2 297.318 0.550 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000348337529 355915038 /nfs/dbraw/zinc/91/50/38/355915038.db2.gz GLTAEHBPFSXYHM-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000348337529 355915043 /nfs/dbraw/zinc/91/50/43/355915043.db2.gz GLTAEHBPFSXYHM-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000273010022 192016664 /nfs/dbraw/zinc/01/66/64/192016664.db2.gz BAFHUBRCTCCTKD-JTQLQIEISA-N 1 2 262.375 0.044 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000354059779 356338285 /nfs/dbraw/zinc/33/82/85/356338285.db2.gz WMPVDZLMLLGCAK-SNVBAGLBSA-N 1 2 283.353 0.665 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000354059779 356338292 /nfs/dbraw/zinc/33/82/92/356338292.db2.gz WMPVDZLMLLGCAK-SNVBAGLBSA-N 1 2 283.353 0.665 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCOC)CC1 ZINC000619717955 366336211 /nfs/dbraw/zinc/33/62/11/366336211.db2.gz CFABXIKKMQRWNO-GFCCVEGCSA-N 1 2 257.330 0.841 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372734192 357379683 /nfs/dbraw/zinc/37/96/83/357379683.db2.gz CCAIQUKLKMUOOV-GHMZBOCLSA-N 1 2 276.365 0.913 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294344165 199005634 /nfs/dbraw/zinc/00/56/34/199005634.db2.gz ITSBUXSECWTLFV-CQSZACIVSA-N 1 2 287.363 0.764 20 30 CCEDLO C#CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491639294 358295806 /nfs/dbraw/zinc/29/58/06/358295806.db2.gz YLMFHWYIOMXSJV-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cn1 ZINC000562383675 291149014 /nfs/dbraw/zinc/14/90/14/291149014.db2.gz LUMXQDAGXXJGKQ-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cn1 ZINC000562383675 291149015 /nfs/dbraw/zinc/14/90/15/291149015.db2.gz LUMXQDAGXXJGKQ-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000570716151 358888205 /nfs/dbraw/zinc/88/82/05/358888205.db2.gz AODJIJMYHZGBOT-JGVFFNPUSA-N 1 2 258.285 0.480 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)nc1 ZINC000582274240 359128359 /nfs/dbraw/zinc/12/83/59/359128359.db2.gz KDZHTTIBXYFWSK-UHFFFAOYSA-N 1 2 253.265 0.806 20 30 CCEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@H]1C[N@H+](C)CCO1 ZINC000610897273 363628550 /nfs/dbraw/zinc/62/85/50/363628550.db2.gz ALFIQFPKXWDQFA-RWMBFGLXSA-N 1 2 250.346 0.739 20 30 CCEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@H]1C[N@@H+](C)CCO1 ZINC000610897273 363628552 /nfs/dbraw/zinc/62/85/52/363628552.db2.gz ALFIQFPKXWDQFA-RWMBFGLXSA-N 1 2 250.346 0.739 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000610900046 363630208 /nfs/dbraw/zinc/63/02/08/363630208.db2.gz FQZGOXOHHMYTNA-NEPJUHHUSA-N 1 2 250.346 0.041 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000586786067 359290253 /nfs/dbraw/zinc/29/02/53/359290253.db2.gz DRMWQBTXJASVEF-LLVKDONJSA-N 1 2 269.308 0.838 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCc3c[nH+]cn3C2)nc1 ZINC000587051775 359298729 /nfs/dbraw/zinc/29/87/29/359298729.db2.gz UKNDWWDRAFHGCI-LBPRGKRZSA-N 1 2 296.334 0.115 20 30 CCEDLO N#CCCCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000588658528 359328583 /nfs/dbraw/zinc/32/85/83/359328583.db2.gz MEKCDIMIMMKAME-UHFFFAOYSA-N 1 2 280.372 0.399 20 30 CCEDLO N#CCCCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000588658528 359328585 /nfs/dbraw/zinc/32/85/85/359328585.db2.gz MEKCDIMIMMKAME-UHFFFAOYSA-N 1 2 280.372 0.399 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)[nH]1 ZINC000611127448 363661834 /nfs/dbraw/zinc/66/18/34/363661834.db2.gz JLVMPSYWBIYENV-JTQLQIEISA-N 1 2 299.338 0.469 20 30 CCEDLO Cc1cc(NC2CC(NS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591824908 359662591 /nfs/dbraw/zinc/66/25/91/359662591.db2.gz JDYQZXORTBPFLR-UHFFFAOYSA-N 1 2 280.353 0.176 20 30 CCEDLO COCC(=O)NC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000297364351 200163488 /nfs/dbraw/zinc/16/34/88/200163488.db2.gz HTVXGVJDNLZYOW-UHFFFAOYSA-N 1 2 259.309 0.505 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000329291130 202270012 /nfs/dbraw/zinc/27/00/12/202270012.db2.gz QUDIQGKAHDSEAB-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000329291130 202270016 /nfs/dbraw/zinc/27/00/16/202270016.db2.gz QUDIQGKAHDSEAB-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000592105013 359756055 /nfs/dbraw/zinc/75/60/55/359756055.db2.gz ZMQKLHGNJHEIIB-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000592105013 359756061 /nfs/dbraw/zinc/75/60/61/359756061.db2.gz ZMQKLHGNJHEIIB-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000592061288 359744979 /nfs/dbraw/zinc/74/49/79/359744979.db2.gz CVUFIPKDXMMPNV-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592147442 359765545 /nfs/dbraw/zinc/76/55/45/359765545.db2.gz LYOVNYVGQFITFO-GUTXKFCHSA-N 1 2 279.384 0.841 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592147442 359765548 /nfs/dbraw/zinc/76/55/48/359765548.db2.gz LYOVNYVGQFITFO-GUTXKFCHSA-N 1 2 279.384 0.841 20 30 CCEDLO COC(=O)c1occc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147635 359765815 /nfs/dbraw/zinc/76/58/15/359765815.db2.gz QTRDGQLOTNILKH-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1occc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147635 359765821 /nfs/dbraw/zinc/76/58/21/359765821.db2.gz QTRDGQLOTNILKH-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148304 359767937 /nfs/dbraw/zinc/76/79/37/359767937.db2.gz UBCOYGFCQBRGIX-AAEUAGOBSA-N 1 2 253.346 0.498 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148304 359767942 /nfs/dbraw/zinc/76/79/42/359767942.db2.gz UBCOYGFCQBRGIX-AAEUAGOBSA-N 1 2 253.346 0.498 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149227 359768736 /nfs/dbraw/zinc/76/87/36/359768736.db2.gz LFBZGBMFBDAONR-IINYFYTJSA-N 1 2 296.371 0.350 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149227 359768739 /nfs/dbraw/zinc/76/87/39/359768739.db2.gz LFBZGBMFBDAONR-IINYFYTJSA-N 1 2 296.371 0.350 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000611174692 363670978 /nfs/dbraw/zinc/67/09/78/363670978.db2.gz KXAFRFUCDWYPHN-UHFFFAOYSA-N 1 2 264.373 0.434 20 30 CCEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)nn1 ZINC000611239260 363693236 /nfs/dbraw/zinc/69/32/36/363693236.db2.gz DIXIWSAWHNWELE-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO COC(=O)CC(C)(C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154889 360048228 /nfs/dbraw/zinc/04/82/28/360048228.db2.gz POCXVVXJFSNCTP-AWEZNQCLSA-N 1 2 283.372 0.926 20 30 CCEDLO CCn1cc(C[N@H+](CC(=O)NCC#N)C(C)C)cn1 ZINC000593079673 360029080 /nfs/dbraw/zinc/02/90/80/360029080.db2.gz GYRHWGWMGSHLGQ-UHFFFAOYSA-N 1 2 263.345 0.753 20 30 CCEDLO CCn1cc(C[N@@H+](CC(=O)NCC#N)C(C)C)cn1 ZINC000593079673 360029085 /nfs/dbraw/zinc/02/90/85/360029085.db2.gz GYRHWGWMGSHLGQ-UHFFFAOYSA-N 1 2 263.345 0.753 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)OCC)nn1 ZINC000594649660 360348941 /nfs/dbraw/zinc/34/89/41/360348941.db2.gz DIGPTWRPUDOPBN-SNVBAGLBSA-N 1 2 250.302 0.515 20 30 CCEDLO COc1c(N)[nH+]cnc1NC1CCN(CC#N)CC1 ZINC000594550158 360329036 /nfs/dbraw/zinc/32/90/36/360329036.db2.gz LCWJKOMTZQPWEP-UHFFFAOYSA-N 1 2 262.317 0.467 20 30 CCEDLO COc1c(N)nc[nH+]c1NC1CCN(CC#N)CC1 ZINC000594550158 360329040 /nfs/dbraw/zinc/32/90/40/360329040.db2.gz LCWJKOMTZQPWEP-UHFFFAOYSA-N 1 2 262.317 0.467 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546334 360573901 /nfs/dbraw/zinc/57/39/01/360573901.db2.gz FFLLMZLNTKROKQ-QMMMGPOBSA-N 1 2 279.300 0.158 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546334 360573904 /nfs/dbraw/zinc/57/39/04/360573904.db2.gz FFLLMZLNTKROKQ-QMMMGPOBSA-N 1 2 279.300 0.158 20 30 CCEDLO C=CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000595583963 360589550 /nfs/dbraw/zinc/58/95/50/360589550.db2.gz BNHRYWYWFBSOBF-ZDUSSCGKSA-N 1 2 296.392 0.560 20 30 CCEDLO C=CC[N@H+](Cc1ccn(C)c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000595583963 360589552 /nfs/dbraw/zinc/58/95/52/360589552.db2.gz BNHRYWYWFBSOBF-ZDUSSCGKSA-N 1 2 296.392 0.560 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H]1COCCO1 ZINC000595735212 360634153 /nfs/dbraw/zinc/63/41/53/360634153.db2.gz DYRPMEDBAOBKHU-SNVBAGLBSA-N 1 2 253.327 0.862 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H]1COCCO1 ZINC000595735212 360634157 /nfs/dbraw/zinc/63/41/57/360634157.db2.gz DYRPMEDBAOBKHU-SNVBAGLBSA-N 1 2 253.327 0.862 20 30 CCEDLO C[C@H]([C@H](C)Nc1cc(C#N)cnn1)[NH+]1CCOCC1 ZINC000596113962 360798077 /nfs/dbraw/zinc/79/80/77/360798077.db2.gz FSWKGGOQFSFCOW-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO N#Cc1cccc(NC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000179043427 189164663 /nfs/dbraw/zinc/16/46/63/189164663.db2.gz PSGZPLIZQPTSIX-AWEZNQCLSA-N 1 2 285.351 0.680 20 30 CCEDLO Cc1cc(NC[C@H]2CCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000596232714 360846499 /nfs/dbraw/zinc/84/64/99/360846499.db2.gz SOPXSOOVCXDCTG-SNVBAGLBSA-N 1 2 259.313 0.496 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnn2C)[C@H](C)CO1 ZINC000596433348 360894083 /nfs/dbraw/zinc/89/40/83/360894083.db2.gz UQWFUYISRUWLQV-GHMZBOCLSA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnn2C)[C@H](C)CO1 ZINC000596433348 360894087 /nfs/dbraw/zinc/89/40/87/360894087.db2.gz UQWFUYISRUWLQV-GHMZBOCLSA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@@H](C)CO1 ZINC000596454832 360899014 /nfs/dbraw/zinc/89/90/14/360899014.db2.gz VIPCCXASRAIJRA-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@@H](C)CO1 ZINC000596454832 360899017 /nfs/dbraw/zinc/89/90/17/360899017.db2.gz VIPCCXASRAIJRA-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CCOCC1 ZINC000596805074 360960109 /nfs/dbraw/zinc/96/01/09/360960109.db2.gz IPGCFGBRKZWADD-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000597306341 361056954 /nfs/dbraw/zinc/05/69/54/361056954.db2.gz HXCDMQBSEIUGHE-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H](CC#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000597579334 361143830 /nfs/dbraw/zinc/14/38/30/361143830.db2.gz ZCRBTSFPGUQZFG-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO C[C@H](C(=O)N[C@H](C#N)CO)[N@@H+]1CCc2ccccc2C1 ZINC000597747705 361231455 /nfs/dbraw/zinc/23/14/55/361231455.db2.gz RODDYXKPOOFVTP-BXUZGUMPSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@H](C(=O)N[C@H](C#N)CO)[N@H+]1CCc2ccccc2C1 ZINC000597747705 361231458 /nfs/dbraw/zinc/23/14/58/361231458.db2.gz RODDYXKPOOFVTP-BXUZGUMPSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)[C@@H](C)CO1 ZINC000597994083 361302269 /nfs/dbraw/zinc/30/22/69/361302269.db2.gz IINDSANWBDVOGD-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)[C@@H](C)CO1 ZINC000597994083 361302278 /nfs/dbraw/zinc/30/22/78/361302278.db2.gz IINDSANWBDVOGD-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)[C@H](C)CO1 ZINC000597996896 361305198 /nfs/dbraw/zinc/30/51/98/361305198.db2.gz RACYMDMIPDALHE-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)[C@H](C)CO1 ZINC000597996896 361305201 /nfs/dbraw/zinc/30/52/01/361305201.db2.gz RACYMDMIPDALHE-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)[C@@H](C)CO1 ZINC000597998747 361305946 /nfs/dbraw/zinc/30/59/46/361305946.db2.gz QKCISAKKLFVQCV-RYUDHWBXSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)[C@@H](C)CO1 ZINC000597998747 361305952 /nfs/dbraw/zinc/30/59/52/361305952.db2.gz QKCISAKKLFVQCV-RYUDHWBXSA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1c[nH]c(=O)n(Cc2[nH+]ccn2CC(F)(F)F)c1=O ZINC000564083297 291264941 /nfs/dbraw/zinc/26/49/41/291264941.db2.gz FEUCSZZWZJCPGP-UHFFFAOYSA-N 1 2 299.212 0.215 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000598600656 361456124 /nfs/dbraw/zinc/45/61/24/361456124.db2.gz PHFXQCPHMRYHOF-UWVGGRQHSA-N 1 2 271.386 0.190 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000598600656 361456130 /nfs/dbraw/zinc/45/61/30/361456130.db2.gz PHFXQCPHMRYHOF-UWVGGRQHSA-N 1 2 271.386 0.190 20 30 CCEDLO CO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000598836384 361523548 /nfs/dbraw/zinc/52/35/48/361523548.db2.gz IBUNWPRACQGRHD-DGCLKSJQSA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC000598947602 361538283 /nfs/dbraw/zinc/53/82/83/361538283.db2.gz LUROHSKDSROHNG-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000599193539 361607452 /nfs/dbraw/zinc/60/74/52/361607452.db2.gz LEXXBOHEKBJQOV-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000599193539 361607454 /nfs/dbraw/zinc/60/74/54/361607454.db2.gz LEXXBOHEKBJQOV-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C#N ZINC000599338028 361659322 /nfs/dbraw/zinc/65/93/22/361659322.db2.gz PDMIVZMZBKYARM-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C#N ZINC000599338028 361659326 /nfs/dbraw/zinc/65/93/26/361659326.db2.gz PDMIVZMZBKYARM-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439384 361703140 /nfs/dbraw/zinc/70/31/40/361703140.db2.gz QIEVTPGYAPLJKX-GFCCVEGCSA-N 1 2 264.329 0.255 20 30 CCEDLO N#Cc1cc(C[NH+]2CCN(c3nccnn3)CC2)ccn1 ZINC000599511180 361723217 /nfs/dbraw/zinc/72/32/17/361723217.db2.gz FIESZRWYAMADTJ-UHFFFAOYSA-N 1 2 281.323 0.460 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166882 363858803 /nfs/dbraw/zinc/85/88/03/363858803.db2.gz XXARLPKMLSBQDO-HZMBPMFUSA-N 1 2 278.356 0.989 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166882 363858804 /nfs/dbraw/zinc/85/88/04/363858804.db2.gz XXARLPKMLSBQDO-HZMBPMFUSA-N 1 2 278.356 0.989 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000614292893 364564313 /nfs/dbraw/zinc/56/43/13/364564313.db2.gz GMMJQZMEERPJRP-UHFFFAOYSA-N 1 2 289.335 0.716 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000614403320 364596079 /nfs/dbraw/zinc/59/60/79/364596079.db2.gz RHHSYCHSLWFNCK-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000614403320 364596080 /nfs/dbraw/zinc/59/60/80/364596080.db2.gz RHHSYCHSLWFNCK-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419318 364600084 /nfs/dbraw/zinc/60/00/84/364600084.db2.gz OOKRRBMQHVMFKB-UONOGXRCSA-N 1 2 296.334 0.623 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419318 364600085 /nfs/dbraw/zinc/60/00/85/364600085.db2.gz OOKRRBMQHVMFKB-UONOGXRCSA-N 1 2 296.334 0.623 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000615825592 365097470 /nfs/dbraw/zinc/09/74/70/365097470.db2.gz RPQOYSSZDTXWPK-ZWNOBZJWSA-N 1 2 262.288 0.910 20 30 CCEDLO C=CCCN(C)C(=S)NCC[NH+]1CCOCC1 ZINC000786082610 581430220 /nfs/dbraw/zinc/43/02/20/581430220.db2.gz JUOBRWYOZWPPIL-UHFFFAOYSA-N 1 2 257.403 0.701 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC000623297484 367522327 /nfs/dbraw/zinc/52/23/27/367522327.db2.gz FXDFZPBIURWEQL-SNVBAGLBSA-N 1 2 272.312 0.405 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cn[nH]c3)CC2)C1=O ZINC000625474573 368215304 /nfs/dbraw/zinc/21/53/04/368215304.db2.gz OOPJDDUKRMZKMO-AWEZNQCLSA-N 1 2 289.383 0.314 20 30 CCEDLO C=CCCn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)nn1 ZINC000627373656 368972243 /nfs/dbraw/zinc/97/22/43/368972243.db2.gz XPQQCWWQLZKMKB-UHFFFAOYSA-N 1 2 272.312 0.776 20 30 CCEDLO C=CCCn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)nn1 ZINC000627373656 368972248 /nfs/dbraw/zinc/97/22/48/368972248.db2.gz XPQQCWWQLZKMKB-UHFFFAOYSA-N 1 2 272.312 0.776 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000330855783 203318126 /nfs/dbraw/zinc/31/81/26/203318126.db2.gz SOTGPCAJWKIUNO-ZDUSSCGKSA-N 1 2 291.376 0.906 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000330855783 203318128 /nfs/dbraw/zinc/31/81/28/203318128.db2.gz SOTGPCAJWKIUNO-ZDUSSCGKSA-N 1 2 291.376 0.906 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000631678933 370633924 /nfs/dbraw/zinc/63/39/24/370633924.db2.gz PEXIXGRORZGLQS-CYBMUJFWSA-N 1 2 282.384 0.494 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000632854028 371300044 /nfs/dbraw/zinc/30/00/44/371300044.db2.gz AFVUBNOHZLXKRW-GFCCVEGCSA-N 1 2 268.357 0.152 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000574404744 335017113 /nfs/dbraw/zinc/01/71/13/335017113.db2.gz SEBCKBDXBFGTGN-DRZSPHRISA-N 1 2 251.330 0.373 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635767546 372879694 /nfs/dbraw/zinc/87/96/94/372879694.db2.gz VANXIOGREYGBKB-SNVBAGLBSA-N 1 2 251.330 0.815 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccon1 ZINC000574445129 335019426 /nfs/dbraw/zinc/01/94/26/335019426.db2.gz QSTSLNCHCJCDBQ-QWRGUYRKSA-N 1 2 252.318 0.532 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccon1 ZINC000574445129 335019427 /nfs/dbraw/zinc/01/94/27/335019427.db2.gz QSTSLNCHCJCDBQ-QWRGUYRKSA-N 1 2 252.318 0.532 20 30 CCEDLO C[C@](O)(C(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000329224442 227362680 /nfs/dbraw/zinc/36/26/80/227362680.db2.gz ZQTMZBMSTLCYCH-CYBMUJFWSA-N 1 2 268.357 0.969 20 30 CCEDLO COCC#CC[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579744 412830095 /nfs/dbraw/zinc/83/00/95/412830095.db2.gz YJYYJKXWJWCTBM-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579744 412830101 /nfs/dbraw/zinc/83/01/01/412830101.db2.gz YJYYJKXWJWCTBM-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000656632032 412836305 /nfs/dbraw/zinc/83/63/05/412836305.db2.gz JOOUWRAWRHUZKJ-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000656632032 412836307 /nfs/dbraw/zinc/83/63/07/412836307.db2.gz JOOUWRAWRHUZKJ-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@@H](C)C2)nn1 ZINC000640774608 376530193 /nfs/dbraw/zinc/53/01/93/376530193.db2.gz OTPFAHWGXIWBGK-CYBMUJFWSA-N 1 2 289.383 0.650 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc(C3CC3)n2)nn1 ZINC000640898517 376604515 /nfs/dbraw/zinc/60/45/15/376604515.db2.gz HIVLOCRHOFUNSC-UHFFFAOYSA-N 1 2 272.312 0.700 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccn2)nn1 ZINC000641136379 376801853 /nfs/dbraw/zinc/80/18/53/376801853.db2.gz KTODOKVQOYWACX-UHFFFAOYSA-N 1 2 284.323 0.425 20 30 CCEDLO C[C@@H](Nc1ncncc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000514724436 249100942 /nfs/dbraw/zinc/10/09/42/249100942.db2.gz KZHHLXHLSXBUBY-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265640475 190196289 /nfs/dbraw/zinc/19/62/89/190196289.db2.gz JOGUXDLJOYFGPH-QWHCGFSZSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265640475 190196290 /nfs/dbraw/zinc/19/62/90/190196290.db2.gz JOGUXDLJOYFGPH-QWHCGFSZSA-N 1 2 279.384 0.738 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000266892849 190288198 /nfs/dbraw/zinc/28/81/98/190288198.db2.gz DJNSGZBBDNGJHS-UHFFFAOYSA-N 1 2 299.330 0.806 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000266892849 190288199 /nfs/dbraw/zinc/28/81/99/190288199.db2.gz DJNSGZBBDNGJHS-UHFFFAOYSA-N 1 2 299.330 0.806 20 30 CCEDLO N#Cc1c2c(cnc1NC[C@H]1C[NH+]3CCN1CC3)CCC2 ZINC000574751548 335044219 /nfs/dbraw/zinc/04/42/19/335044219.db2.gz WPTNYOHQAYWSQX-ZDUSSCGKSA-N 1 2 283.379 0.854 20 30 CCEDLO C[C@@H](NC(=O)NCC(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000352826565 533149747 /nfs/dbraw/zinc/14/97/47/533149747.db2.gz KEQWSCAMEQYUME-NEPJUHHUSA-N 1 2 282.388 0.945 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1c(Br)cnn1C ZINC000289871321 388897050 /nfs/dbraw/zinc/89/70/50/388897050.db2.gz PBVUEYCUWPUOKW-SSDOTTSWSA-N 1 2 260.135 0.819 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000291196084 388919197 /nfs/dbraw/zinc/91/91/97/388919197.db2.gz TXNJIKRLTQIRGD-RYUDHWBXSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000291196084 388919201 /nfs/dbraw/zinc/91/92/01/388919201.db2.gz TXNJIKRLTQIRGD-RYUDHWBXSA-N 1 2 278.356 0.787 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000076185916 388985882 /nfs/dbraw/zinc/98/58/82/388985882.db2.gz LECGUCSJJHHCLU-KGLIPLIRSA-N 1 2 289.379 0.959 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000076185999 388986360 /nfs/dbraw/zinc/98/63/60/388986360.db2.gz KQRSHEZBHUJIBB-HUUCEWRRSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000192227881 389029974 /nfs/dbraw/zinc/02/99/74/389029974.db2.gz ULBUZQRECLENBB-UHFFFAOYSA-N 1 2 299.374 0.995 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000192227881 389029979 /nfs/dbraw/zinc/02/99/79/389029979.db2.gz ULBUZQRECLENBB-UHFFFAOYSA-N 1 2 299.374 0.995 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000191138687 389007103 /nfs/dbraw/zinc/00/71/03/389007103.db2.gz DAEFJKJTCKRNRE-UHFFFAOYSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000191138687 389007106 /nfs/dbraw/zinc/00/71/06/389007106.db2.gz DAEFJKJTCKRNRE-UHFFFAOYSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1cccnc1 ZINC000191248659 389008811 /nfs/dbraw/zinc/00/88/11/389008811.db2.gz KJPMUUHXRJAXEH-UHFFFAOYSA-N 1 2 263.341 0.832 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1cccnc1 ZINC000191248659 389008813 /nfs/dbraw/zinc/00/88/13/389008813.db2.gz KJPMUUHXRJAXEH-UHFFFAOYSA-N 1 2 263.341 0.832 20 30 CCEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735419 389032728 /nfs/dbraw/zinc/03/27/28/389032728.db2.gz VRWYYKQLHIODIJ-HNNXBMFYSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735419 389032731 /nfs/dbraw/zinc/03/27/31/389032731.db2.gz VRWYYKQLHIODIJ-HNNXBMFYSA-N 1 2 288.347 0.775 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[S@@](=O)CC2)C1=O ZINC000337250984 389057937 /nfs/dbraw/zinc/05/79/37/389057937.db2.gz QYGJUVPXFWHTKH-SOZUMNATSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[S@@](=O)CC2)C1=O ZINC000337250984 389057941 /nfs/dbraw/zinc/05/79/41/389057941.db2.gz QYGJUVPXFWHTKH-SOZUMNATSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[S@](=O)CC2)C1=O ZINC000337250976 389058413 /nfs/dbraw/zinc/05/84/13/389058413.db2.gz QYGJUVPXFWHTKH-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[S@](=O)CC2)C1=O ZINC000337250976 389058415 /nfs/dbraw/zinc/05/84/15/389058415.db2.gz QYGJUVPXFWHTKH-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000338127653 389077331 /nfs/dbraw/zinc/07/73/31/389077331.db2.gz SHAWIBFHLQBACA-UHFFFAOYSA-N 1 2 273.336 0.617 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000302739409 389077367 /nfs/dbraw/zinc/07/73/67/389077367.db2.gz IQTNKQZCCNQXPX-NSHDSACASA-N 1 2 251.330 0.137 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000302739409 389077368 /nfs/dbraw/zinc/07/73/68/389077368.db2.gz IQTNKQZCCNQXPX-NSHDSACASA-N 1 2 251.330 0.137 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000104668698 389083845 /nfs/dbraw/zinc/08/38/45/389083845.db2.gz JJDAEHWREGQAHY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000104668698 389083847 /nfs/dbraw/zinc/08/38/47/389083847.db2.gz JJDAEHWREGQAHY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000305080569 389084011 /nfs/dbraw/zinc/08/40/11/389084011.db2.gz MFXJMGQPHPVXDF-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCCNC1=O ZINC000105610432 389086413 /nfs/dbraw/zinc/08/64/13/389086413.db2.gz GQWOHICKRCFXFN-IUODEOHRSA-N 1 2 292.383 0.395 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCCNC1=O ZINC000105610432 389086416 /nfs/dbraw/zinc/08/64/16/389086416.db2.gz GQWOHICKRCFXFN-IUODEOHRSA-N 1 2 292.383 0.395 20 30 CCEDLO CN1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000328927921 389145501 /nfs/dbraw/zinc/14/55/01/389145501.db2.gz GEDRPEIVFSSRIT-RKDXNWHRSA-N 1 2 262.313 0.702 20 30 CCEDLO CN1C[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000328927921 389145504 /nfs/dbraw/zinc/14/55/04/389145504.db2.gz GEDRPEIVFSSRIT-RKDXNWHRSA-N 1 2 262.313 0.702 20 30 CCEDLO C[C@@H](O)C[N@H+](Cc1nc(C#N)cs1)[C@@H](C)CO ZINC000356394046 389124065 /nfs/dbraw/zinc/12/40/65/389124065.db2.gz LXWWCCJLWOKOAH-DTWKUNHWSA-N 1 2 255.343 0.578 20 30 CCEDLO C[C@@H](O)C[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)CO ZINC000356394046 389124068 /nfs/dbraw/zinc/12/40/68/389124068.db2.gz LXWWCCJLWOKOAH-DTWKUNHWSA-N 1 2 255.343 0.578 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCOCCC#N ZINC000339198950 389128394 /nfs/dbraw/zinc/12/83/94/389128394.db2.gz LDJPDEJJFMELKY-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1CCOCCC#N ZINC000339198950 389128396 /nfs/dbraw/zinc/12/83/96/389128396.db2.gz LDJPDEJJFMELKY-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000328607476 389128970 /nfs/dbraw/zinc/12/89/70/389128970.db2.gz LGELVMIWKIUOKW-VXGBXAGGSA-N 1 2 289.339 0.899 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328681730 389131973 /nfs/dbraw/zinc/13/19/73/389131973.db2.gz OIRYKTFOSLKTHF-IEBDPFPHSA-N 1 2 283.328 0.507 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328681730 389131976 /nfs/dbraw/zinc/13/19/76/389131976.db2.gz OIRYKTFOSLKTHF-IEBDPFPHSA-N 1 2 283.328 0.507 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(C)C1=O ZINC000328811389 389139257 /nfs/dbraw/zinc/13/92/57/389139257.db2.gz FIIXIDNFHHJHJW-LLVKDONJSA-N 1 2 264.329 0.930 20 30 CCEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CC1(C#N)CC1 ZINC000358039404 389141615 /nfs/dbraw/zinc/14/16/15/389141615.db2.gz XDBCSMBEZKYCQC-GFCCVEGCSA-N 1 2 294.399 0.772 20 30 CCEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CC1(C#N)CC1 ZINC000358039404 389141617 /nfs/dbraw/zinc/14/16/17/389141617.db2.gz XDBCSMBEZKYCQC-GFCCVEGCSA-N 1 2 294.399 0.772 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](O)C1CCOCC1 ZINC000329650374 389182193 /nfs/dbraw/zinc/18/21/93/389182193.db2.gz CHCWXSYLTWTMJG-YPMHNXCESA-N 1 2 296.371 0.563 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC[C@H](O)C1CCOCC1 ZINC000329650374 389182195 /nfs/dbraw/zinc/18/21/95/389182195.db2.gz CHCWXSYLTWTMJG-YPMHNXCESA-N 1 2 296.371 0.563 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C[C@H](O)C1CCOCC1 ZINC000329650374 389182196 /nfs/dbraw/zinc/18/21/96/389182196.db2.gz CHCWXSYLTWTMJG-YPMHNXCESA-N 1 2 296.371 0.563 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOC3)C[C@H]21 ZINC000329655999 389182782 /nfs/dbraw/zinc/18/27/82/389182782.db2.gz MLZNLIIXBZTILO-IJLUTSLNSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOC3)C[C@H]21 ZINC000329655999 389182786 /nfs/dbraw/zinc/18/27/86/389182786.db2.gz MLZNLIIXBZTILO-IJLUTSLNSA-N 1 2 269.345 0.094 20 30 CCEDLO C[S@](=O)C1(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329673813 389186064 /nfs/dbraw/zinc/18/60/64/389186064.db2.gz SYLQXLMYPGRFPK-IBGZPJMESA-N 1 2 282.369 0.524 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CO)C2CCCC2)C1 ZINC000329746730 389196050 /nfs/dbraw/zinc/19/60/50/389196050.db2.gz YXQSQDMAMDLXBM-CHWSQXEVSA-N 1 2 285.388 0.372 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CO)C2CCCC2)C1 ZINC000329746730 389196053 /nfs/dbraw/zinc/19/60/53/389196053.db2.gz YXQSQDMAMDLXBM-CHWSQXEVSA-N 1 2 285.388 0.372 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000329795793 389202436 /nfs/dbraw/zinc/20/24/36/389202436.db2.gz DGEGWSQPPOTSOW-RDBSUJKOSA-N 1 2 299.415 0.978 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342236849 389202484 /nfs/dbraw/zinc/20/24/84/389202484.db2.gz BITQIBBQOGFKOL-UTUOFQBUSA-N 1 2 251.330 0.468 20 30 CCEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)CCCOC)CC1 ZINC000358507067 389152506 /nfs/dbraw/zinc/15/25/06/389152506.db2.gz KUGLMJKGRXVDSY-UHFFFAOYSA-N 1 2 290.429 0.937 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(C)CCOC1 ZINC000329381906 389160599 /nfs/dbraw/zinc/16/05/99/389160599.db2.gz OFKWHKLSZDEMMW-TZMCWYRMSA-N 1 2 285.388 0.637 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccn(C)n1 ZINC000329493582 389166520 /nfs/dbraw/zinc/16/65/20/389166520.db2.gz DYMDQUPATZNEAP-LBPRGKRZSA-N 1 2 266.345 0.640 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccn(C)n1 ZINC000329493582 389166521 /nfs/dbraw/zinc/16/65/21/389166521.db2.gz DYMDQUPATZNEAP-LBPRGKRZSA-N 1 2 266.345 0.640 20 30 CCEDLO CN(C)[C@@H](C(=O)N1CCC(F)(C#N)CC1)c1c[nH+]cn1C ZINC000359348584 389171675 /nfs/dbraw/zinc/17/16/75/389171675.db2.gz JZTUNZBLYXRWBH-GFCCVEGCSA-N 1 2 293.346 0.877 20 30 CCEDLO COCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCOCC1 ZINC000329600792 389174265 /nfs/dbraw/zinc/17/42/65/389174265.db2.gz XHBVPFMQTYPCGG-ZDUSSCGKSA-N 1 2 297.399 0.386 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1COCCO1 ZINC000330563806 389241703 /nfs/dbraw/zinc/24/17/03/389241703.db2.gz AXZDFNKZWZJKGL-SNVBAGLBSA-N 1 2 251.286 0.553 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248639442 389248002 /nfs/dbraw/zinc/24/80/02/389248002.db2.gz WUCVHBKDLHIWGS-STQMWFEESA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248639442 389248007 /nfs/dbraw/zinc/24/80/07/389248007.db2.gz WUCVHBKDLHIWGS-STQMWFEESA-N 1 2 283.372 0.220 20 30 CCEDLO C=CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000342735258 389252033 /nfs/dbraw/zinc/25/20/33/389252033.db2.gz LYIFIJCSZNEUNP-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000342735258 389252036 /nfs/dbraw/zinc/25/20/36/389252036.db2.gz LYIFIJCSZNEUNP-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)CCO ZINC000136063072 389264152 /nfs/dbraw/zinc/26/41/52/389264152.db2.gz XGZQTJCDCYKFRJ-UHFFFAOYSA-N 1 2 279.340 0.325 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CC3(C#N)CC3)CC2)cn1 ZINC000343317429 389264458 /nfs/dbraw/zinc/26/44/58/389264458.db2.gz VHJIIRKADQSWSP-UHFFFAOYSA-N 1 2 259.357 0.841 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136211162 389265060 /nfs/dbraw/zinc/26/50/60/389265060.db2.gz BVUHBYODMJSXRY-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO CC(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329902934 389209274 /nfs/dbraw/zinc/20/92/74/389209274.db2.gz PTGHGOIAOKDOIR-ZDUSSCGKSA-N 1 2 295.383 0.819 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000342483381 389219377 /nfs/dbraw/zinc/21/93/77/389219377.db2.gz DTRJGODZBWRXEF-NWDGAFQWSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000342483381 389219379 /nfs/dbraw/zinc/21/93/79/389219379.db2.gz DTRJGODZBWRXEF-NWDGAFQWSA-N 1 2 254.378 0.496 20 30 CCEDLO CC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H](C)C#N ZINC000330365804 389221626 /nfs/dbraw/zinc/22/16/26/389221626.db2.gz SOWDKOFMANXJJK-SNVBAGLBSA-N 1 2 264.329 0.066 20 30 CCEDLO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H](C)C#N ZINC000330365804 389221628 /nfs/dbraw/zinc/22/16/28/389221628.db2.gz SOWDKOFMANXJJK-SNVBAGLBSA-N 1 2 264.329 0.066 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330374107 389222435 /nfs/dbraw/zinc/22/24/35/389222435.db2.gz MLWZWZAXADRQGG-NSHDSACASA-N 1 2 299.400 0.578 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1=O ZINC000330391715 389223483 /nfs/dbraw/zinc/22/34/83/389223483.db2.gz PIIZTSKJGHOXFB-SRVKXCTJSA-N 1 2 288.413 0.527 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1=O ZINC000330391715 389223487 /nfs/dbraw/zinc/22/34/87/389223487.db2.gz PIIZTSKJGHOXFB-SRVKXCTJSA-N 1 2 288.413 0.527 20 30 CCEDLO N#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132390970 389223689 /nfs/dbraw/zinc/22/36/89/389223689.db2.gz ZHFRYQNUTKTVJQ-ZDUSSCGKSA-N 1 2 259.309 0.527 20 30 CCEDLO N#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132390970 389223692 /nfs/dbraw/zinc/22/36/92/389223692.db2.gz ZHFRYQNUTKTVJQ-ZDUSSCGKSA-N 1 2 259.309 0.527 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000133087026 389230808 /nfs/dbraw/zinc/23/08/08/389230808.db2.gz ZPEXOKPUCJKGSB-NEPJUHHUSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000133087026 389230811 /nfs/dbraw/zinc/23/08/11/389230811.db2.gz ZPEXOKPUCJKGSB-NEPJUHHUSA-N 1 2 257.330 0.577 20 30 CCEDLO COC(=O)CN(CC[NH+]1CCOCC1)CCC(C)(C)C#N ZINC000345719629 389312979 /nfs/dbraw/zinc/31/29/79/389312979.db2.gz XNLBLRVPGBGKNC-UHFFFAOYSA-N 1 2 297.399 0.733 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156871229 389327982 /nfs/dbraw/zinc/32/79/82/389327982.db2.gz HZDQWVYWLIBBPG-KGLIPLIRSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156871229 389327987 /nfs/dbraw/zinc/32/79/87/389327987.db2.gz HZDQWVYWLIBBPG-KGLIPLIRSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000156812809 389328008 /nfs/dbraw/zinc/32/80/08/389328008.db2.gz SACGBXXHIOJBST-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346458810 389329409 /nfs/dbraw/zinc/32/94/09/389329409.db2.gz PWWAEHIFHJXOQF-NEPJUHHUSA-N 1 2 278.356 0.054 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346458810 389329412 /nfs/dbraw/zinc/32/94/12/389329412.db2.gz PWWAEHIFHJXOQF-NEPJUHHUSA-N 1 2 278.356 0.054 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346831878 389338408 /nfs/dbraw/zinc/33/84/08/389338408.db2.gz VCZUGGWPVOHVKL-UHFFFAOYSA-N 1 2 266.345 0.005 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346831878 389338411 /nfs/dbraw/zinc/33/84/11/389338411.db2.gz VCZUGGWPVOHVKL-UHFFFAOYSA-N 1 2 266.345 0.005 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCC#N ZINC000343863205 389273969 /nfs/dbraw/zinc/27/39/69/389273969.db2.gz OUCGZSIMYUOYJY-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCCC#N ZINC000343863205 389273971 /nfs/dbraw/zinc/27/39/71/389273971.db2.gz OUCGZSIMYUOYJY-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000345517847 389307423 /nfs/dbraw/zinc/30/74/23/389307423.db2.gz JOIPFVBOGSECAO-UHFFFAOYSA-N 1 2 299.378 0.987 20 30 CCEDLO NC(=O)[C@]1(O)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000348199023 389370032 /nfs/dbraw/zinc/37/00/32/389370032.db2.gz BUEKGPDVMKNKNH-AWEZNQCLSA-N 1 2 278.739 0.614 20 30 CCEDLO NC(=O)[C@]1(O)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000348199023 389370033 /nfs/dbraw/zinc/37/00/33/389370033.db2.gz BUEKGPDVMKNKNH-AWEZNQCLSA-N 1 2 278.739 0.614 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccnn1C ZINC000348367843 389374559 /nfs/dbraw/zinc/37/45/59/389374559.db2.gz JMEAMOAKQRQVLH-LLVKDONJSA-N 1 2 263.345 0.612 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccnn1C ZINC000348367843 389374561 /nfs/dbraw/zinc/37/45/61/389374561.db2.gz JMEAMOAKQRQVLH-LLVKDONJSA-N 1 2 263.345 0.612 20 30 CCEDLO CC#CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000265991490 389362268 /nfs/dbraw/zinc/36/22/68/389362268.db2.gz ISJOLYZMOKAKTQ-UHFFFAOYSA-N 1 2 258.325 0.326 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)n1 ZINC000348099855 389364960 /nfs/dbraw/zinc/36/49/60/389364960.db2.gz WUOLBYXKRGYSAI-VIFPVBQESA-N 1 2 265.317 0.791 20 30 CCEDLO CC(C)n1ccc(CO[NH+]=C(N)CN2CCOCC2)n1 ZINC000172331265 389486951 /nfs/dbraw/zinc/48/69/51/389486951.db2.gz TYCOCYCLXMDFIJ-UHFFFAOYSA-N 1 2 281.360 0.585 20 30 CCEDLO Cc1nccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000350123079 389489530 /nfs/dbraw/zinc/48/95/30/389489530.db2.gz NCNHASPLHDCTGX-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000269731388 389426690 /nfs/dbraw/zinc/42/66/90/389426690.db2.gz GFOLPVCDVXXRRP-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000269731388 389426693 /nfs/dbraw/zinc/42/66/93/389426693.db2.gz GFOLPVCDVXXRRP-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374067077 389542496 /nfs/dbraw/zinc/54/24/96/389542496.db2.gz KGJWWCIPKGPDLZ-UTUOFQBUSA-N 1 2 251.330 0.610 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374067077 389542498 /nfs/dbraw/zinc/54/24/98/389542498.db2.gz KGJWWCIPKGPDLZ-UTUOFQBUSA-N 1 2 251.330 0.610 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000274188687 389496434 /nfs/dbraw/zinc/49/64/34/389496434.db2.gz PUXAXKWETSHPBD-UHFFFAOYSA-N 1 2 271.320 0.822 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000274188687 389496439 /nfs/dbraw/zinc/49/64/39/389496439.db2.gz PUXAXKWETSHPBD-UHFFFAOYSA-N 1 2 271.320 0.822 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)C(=O)C2(C)C)C1=O ZINC000281195543 389610120 /nfs/dbraw/zinc/61/01/20/389610120.db2.gz CDABWESTMMLFLT-GFCCVEGCSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)C(=O)C2(C)C)C1=O ZINC000281195543 389610123 /nfs/dbraw/zinc/61/01/23/389610123.db2.gz CDABWESTMMLFLT-GFCCVEGCSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@@H]2CC(C)C)C1=O ZINC000281453816 389616500 /nfs/dbraw/zinc/61/65/00/389616500.db2.gz UWSONKCGRVZFAG-STQMWFEESA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@@H]2CC(C)C)C1=O ZINC000281453816 389616504 /nfs/dbraw/zinc/61/65/04/389616504.db2.gz UWSONKCGRVZFAG-STQMWFEESA-N 1 2 279.384 0.620 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2ncnn2C)cc1 ZINC000178307542 389601834 /nfs/dbraw/zinc/60/18/34/389601834.db2.gz QVVAWHPTHKUUAO-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C)CC1 ZINC000282119155 389657324 /nfs/dbraw/zinc/65/73/24/389657324.db2.gz DNZICXYTXVXZTB-UHFFFAOYSA-N 1 2 261.373 0.868 20 30 CCEDLO COCCOCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000179507563 389658364 /nfs/dbraw/zinc/65/83/64/389658364.db2.gz QBXSGEDQPMZBER-UHFFFAOYSA-N 1 2 273.358 0.946 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282285345 389660783 /nfs/dbraw/zinc/66/07/83/389660783.db2.gz RWPKKDTVKXCLCJ-GFCCVEGCSA-N 1 2 286.397 0.306 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282285345 389660785 /nfs/dbraw/zinc/66/07/85/389660785.db2.gz RWPKKDTVKXCLCJ-GFCCVEGCSA-N 1 2 286.397 0.306 20 30 CCEDLO C=CCN(CCC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000428866766 389724163 /nfs/dbraw/zinc/72/41/63/389724163.db2.gz ZDIKGBIRIDZRTR-ZDUSSCGKSA-N 1 2 253.346 0.081 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182337817 389706060 /nfs/dbraw/zinc/70/60/60/389706060.db2.gz WMEJYYZPVKAAIX-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430259848 389790545 /nfs/dbraw/zinc/79/05/45/389790545.db2.gz FWBYDHCBMZTSET-GHMZBOCLSA-N 1 2 261.329 0.999 20 30 CCEDLO C=CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376419246 389735287 /nfs/dbraw/zinc/73/52/87/389735287.db2.gz FEOFIZLQCSAJMH-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO CC#CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000354107467 389859757 /nfs/dbraw/zinc/85/97/57/389859757.db2.gz LIUJJIHKLDONGE-UHFFFAOYSA-N 1 2 286.379 0.733 20 30 CCEDLO C[C@H](C#N)CN(C)CC(O)C[N@H+](C)C[C@H](C)C#N ZINC000447347541 389952337 /nfs/dbraw/zinc/95/23/37/389952337.db2.gz LRWFKYMYBKPFEA-VXGBXAGGSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@H](C#N)CN(C)CC(O)C[N@@H+](C)C[C@H](C)C#N ZINC000447347541 389952338 /nfs/dbraw/zinc/95/23/38/389952338.db2.gz LRWFKYMYBKPFEA-VXGBXAGGSA-N 1 2 252.362 0.530 20 30 CCEDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000457471112 390044387 /nfs/dbraw/zinc/04/43/87/390044387.db2.gz YWMHPDUNTLRJFJ-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC1(F)F ZINC000448838366 389991580 /nfs/dbraw/zinc/99/15/80/389991580.db2.gz XXDUHEMPNKKQMA-LLVKDONJSA-N 1 2 287.310 0.716 20 30 CCEDLO CCC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000450462650 389996469 /nfs/dbraw/zinc/99/64/69/389996469.db2.gz IEPBLLHUWJXTGJ-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO CCC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450462650 389996472 /nfs/dbraw/zinc/99/64/72/389996472.db2.gz IEPBLLHUWJXTGJ-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO CCC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462650 389996474 /nfs/dbraw/zinc/99/64/74/389996474.db2.gz IEPBLLHUWJXTGJ-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@H]([C@H](C)Nc1cncc(C#N)n1)[NH+]1CCOCC1 ZINC000420578325 390013683 /nfs/dbraw/zinc/01/36/83/390013683.db2.gz AWNRPYZYDXQQPZ-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C=CCOC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000492862014 390118604 /nfs/dbraw/zinc/11/86/04/390118604.db2.gz KLGXMGJTUGUXKV-ZWNMCFTASA-N 1 2 279.296 0.283 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccncn1 ZINC000492943310 390118667 /nfs/dbraw/zinc/11/86/67/390118667.db2.gz BISJWTULSDJSQH-MUBLQREKSA-N 1 2 259.313 0.450 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2C)CC1 ZINC000490949225 390108993 /nfs/dbraw/zinc/10/89/93/390108993.db2.gz IQXUDDZVWMBLBW-UHFFFAOYSA-N 1 2 273.336 0.546 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)CC(C)(C)C)CC1 ZINC000491393543 390112878 /nfs/dbraw/zinc/11/28/78/390112878.db2.gz IEYJJZRZVHKUBH-UHFFFAOYSA-N 1 2 295.383 0.248 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(F)(F)F)n2C)CC1 ZINC000491417524 390113142 /nfs/dbraw/zinc/11/31/42/390113142.db2.gz NPSFYVCLNPDBPH-UHFFFAOYSA-N 1 2 287.289 0.675 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491453946 390113672 /nfs/dbraw/zinc/11/36/72/390113672.db2.gz UROZTWWDAAJEMD-KGLIPLIRSA-N 1 2 287.425 0.906 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491453946 390113673 /nfs/dbraw/zinc/11/36/73/390113673.db2.gz UROZTWWDAAJEMD-KGLIPLIRSA-N 1 2 287.425 0.906 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(C)CC#N ZINC000457990072 390051963 /nfs/dbraw/zinc/05/19/63/390051963.db2.gz PCWOAMMGTPULPI-UHFFFAOYSA-N 1 2 282.388 0.499 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)CC#N ZINC000457990072 390051964 /nfs/dbraw/zinc/05/19/64/390051964.db2.gz PCWOAMMGTPULPI-UHFFFAOYSA-N 1 2 282.388 0.499 20 30 CCEDLO CCn1nccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493708454 390127543 /nfs/dbraw/zinc/12/75/43/390127543.db2.gz ADWSLKNHRWJBLB-LMVHVUTASA-N 1 2 275.356 0.876 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494085584 390147752 /nfs/dbraw/zinc/14/77/52/390147752.db2.gz KLIHKOIDSQRPEE-CYBMUJFWSA-N 1 2 295.383 0.938 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494085584 390147755 /nfs/dbraw/zinc/14/77/55/390147755.db2.gz KLIHKOIDSQRPEE-CYBMUJFWSA-N 1 2 295.383 0.938 20 30 CCEDLO N#CCNC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494260559 390161337 /nfs/dbraw/zinc/16/13/37/390161337.db2.gz XAUMVQYTHNTENK-UHFFFAOYSA-N 1 2 265.288 0.260 20 30 CCEDLO N#CCNC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494260559 390161338 /nfs/dbraw/zinc/16/13/38/390161338.db2.gz XAUMVQYTHNTENK-UHFFFAOYSA-N 1 2 265.288 0.260 20 30 CCEDLO CCc1nncn1CCNc1cc(C)[nH+]cc1C#N ZINC000583318379 390282234 /nfs/dbraw/zinc/28/22/34/390282234.db2.gz UCWPJWFGHMWGCM-UHFFFAOYSA-N 1 2 256.313 0.950 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000648374986 390363878 /nfs/dbraw/zinc/36/38/78/390363878.db2.gz NRKNROGHROOOHQ-LBPRGKRZSA-N 1 2 293.371 0.257 20 30 CCEDLO COCC#CC[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000644783461 390312726 /nfs/dbraw/zinc/31/27/26/390312726.db2.gz DUVWOSJEZGHTFO-UHFFFAOYSA-N 1 2 259.371 0.393 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583934999 390325893 /nfs/dbraw/zinc/32/58/93/390325893.db2.gz IHXVSWGQUQVBHY-GFCCVEGCSA-N 1 2 299.338 0.104 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583934999 390325895 /nfs/dbraw/zinc/32/58/95/390325895.db2.gz IHXVSWGQUQVBHY-GFCCVEGCSA-N 1 2 299.338 0.104 20 30 CCEDLO Cc1cc(N2CCN3C(=O)OC[C@H]3C2)c(C#N)c[nH+]1 ZINC000496553617 390354981 /nfs/dbraw/zinc/35/49/81/390354981.db2.gz WWXPFWKGIGLAPK-LLVKDONJSA-N 1 2 258.281 0.903 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000645178937 390383572 /nfs/dbraw/zinc/38/35/72/390383572.db2.gz ZJXDHQQGKODZTH-RYUDHWBXSA-N 1 2 264.329 0.345 20 30 CCEDLO CC(C)(CCC#N)CNC(=O)NCC[NH+]1CCOCC1 ZINC000562178616 390488202 /nfs/dbraw/zinc/48/82/02/390488202.db2.gz FODGIJKKTZJPRN-UHFFFAOYSA-N 1 2 282.388 0.948 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1nnc(C2CC2)s1 ZINC000563706213 390493449 /nfs/dbraw/zinc/49/34/49/390493449.db2.gz GQWSWPLLKOWXQF-NSHDSACASA-N 1 2 295.412 0.711 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1nnc(C2CC2)s1 ZINC000563706213 390493453 /nfs/dbraw/zinc/49/34/53/390493453.db2.gz GQWSWPLLKOWXQF-NSHDSACASA-N 1 2 295.412 0.711 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000564916762 390498190 /nfs/dbraw/zinc/49/81/90/390498190.db2.gz RKLVDBJTCQGLBP-YGRLFVJLSA-N 1 2 280.372 0.237 20 30 CCEDLO N#CCC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000555708304 390462862 /nfs/dbraw/zinc/46/28/62/390462862.db2.gz DWDNYNWYMVERRT-UHFFFAOYSA-N 1 2 292.383 0.844 20 30 CCEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(N)=O ZINC000505519265 390463320 /nfs/dbraw/zinc/46/33/20/390463320.db2.gz JJPZPEXPLYINOV-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(N)=O ZINC000505519265 390463324 /nfs/dbraw/zinc/46/33/24/390463324.db2.gz JJPZPEXPLYINOV-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000515302521 390474301 /nfs/dbraw/zinc/47/43/01/390474301.db2.gz WYMOMKBCPXKBRZ-JQWIXIFHSA-N 1 2 260.297 0.196 20 30 CCEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)no1 ZINC000566597850 390632184 /nfs/dbraw/zinc/63/21/84/390632184.db2.gz TUAMFXGOICGYBF-UHFFFAOYSA-N 1 2 298.350 0.963 20 30 CCEDLO C=C[C@H](O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000646753621 390716677 /nfs/dbraw/zinc/71/66/77/390716677.db2.gz BOICTDIWFGLGPV-HNNXBMFYSA-N 1 2 289.379 0.919 20 30 CCEDLO C=C[C@@H](O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000646753622 390716822 /nfs/dbraw/zinc/71/68/22/390716822.db2.gz BOICTDIWFGLGPV-OAHLLOKOSA-N 1 2 289.379 0.919 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491037 390749999 /nfs/dbraw/zinc/74/99/99/390749999.db2.gz PJUBECGWCGQYNC-QWRGUYRKSA-N 1 2 251.330 0.204 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491037 390750001 /nfs/dbraw/zinc/75/00/01/390750001.db2.gz PJUBECGWCGQYNC-QWRGUYRKSA-N 1 2 251.330 0.204 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000578196718 390869809 /nfs/dbraw/zinc/86/98/09/390869809.db2.gz QYWQCHQTJIZWFA-LLVKDONJSA-N 1 2 274.280 0.787 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000578196718 390869812 /nfs/dbraw/zinc/86/98/12/390869812.db2.gz QYWQCHQTJIZWFA-LLVKDONJSA-N 1 2 274.280 0.787 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000531868242 390878320 /nfs/dbraw/zinc/87/83/20/390878320.db2.gz VCAPCRPEVYZLDN-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000531868242 390878324 /nfs/dbraw/zinc/87/83/24/390878324.db2.gz VCAPCRPEVYZLDN-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1C#N ZINC000357250307 144074137 /nfs/dbraw/zinc/07/41/37/144074137.db2.gz YOVNILSQLFUXPR-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO CO[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352880 286061568 /nfs/dbraw/zinc/06/15/68/286061568.db2.gz RNJSKXSPWIZMAE-STQMWFEESA-N 1 2 259.309 0.805 20 30 CCEDLO CO[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352880 286061569 /nfs/dbraw/zinc/06/15/69/286061569.db2.gz RNJSKXSPWIZMAE-STQMWFEESA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330276304 287190287 /nfs/dbraw/zinc/19/02/87/287190287.db2.gz MRVWEBSJTGVTBX-NXEZZACHSA-N 1 2 277.328 0.773 20 30 CCEDLO N#Cc1ccccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000019440608 170802556 /nfs/dbraw/zinc/80/25/56/170802556.db2.gz OHSRVSMTUGKIHJ-UHFFFAOYSA-N 1 2 289.335 0.385 20 30 CCEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC#CCO)C2 ZINC000655057254 412470046 /nfs/dbraw/zinc/47/00/46/412470046.db2.gz ABONYQVOQLDUEK-LLVKDONJSA-N 1 2 275.352 0.750 20 30 CCEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC#CCO)CC2 ZINC000655057254 412470048 /nfs/dbraw/zinc/47/00/48/412470048.db2.gz ABONYQVOQLDUEK-LLVKDONJSA-N 1 2 275.352 0.750 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300730 414708081 /nfs/dbraw/zinc/70/80/81/414708081.db2.gz HZPFGCPNDMTBQB-UHFFFAOYSA-N 1 2 273.336 0.446 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300730 414708082 /nfs/dbraw/zinc/70/80/82/414708082.db2.gz HZPFGCPNDMTBQB-UHFFFAOYSA-N 1 2 273.336 0.446 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662094673 414690797 /nfs/dbraw/zinc/69/07/97/414690797.db2.gz NKHSJYSWJPJRGP-NXEZZACHSA-N 1 2 252.318 0.717 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662120269 414691742 /nfs/dbraw/zinc/69/17/42/414691742.db2.gz BGDVRWMBYUIBMS-ZDUSSCGKSA-N 1 2 258.325 0.622 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662120269 414691743 /nfs/dbraw/zinc/69/17/43/414691743.db2.gz BGDVRWMBYUIBMS-ZDUSSCGKSA-N 1 2 258.325 0.622 20 30 CCEDLO N#CCc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000042200467 174657250 /nfs/dbraw/zinc/65/72/50/174657250.db2.gz PHUISFKNRAQGLD-UHFFFAOYSA-N 1 2 273.336 0.815 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc2n[nH]nc2c1 ZINC000329149491 227327843 /nfs/dbraw/zinc/32/78/43/227327843.db2.gz QRKFZONNEBLPEW-SECBINFHSA-N 1 2 290.327 0.378 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC000329156885 227331213 /nfs/dbraw/zinc/33/12/13/227331213.db2.gz VYHJFEIVZFVWQI-VHSXEESVSA-N 1 2 255.318 0.783 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC000329156885 227331219 /nfs/dbraw/zinc/33/12/19/227331219.db2.gz VYHJFEIVZFVWQI-VHSXEESVSA-N 1 2 255.318 0.783 20 30 CCEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000329302524 545021848 /nfs/dbraw/zinc/02/18/48/545021848.db2.gz WLSMBFKIPATAAS-AVGNSLFASA-N 1 2 285.388 0.636 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)N1C)[NH+]1CCOCC1 ZINC000329293225 545022056 /nfs/dbraw/zinc/02/20/56/545022056.db2.gz ROCIEIQWYOXTOU-TUAOUCFPSA-N 1 2 283.372 0.673 20 30 CCEDLO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993103 260155844 /nfs/dbraw/zinc/15/58/44/260155844.db2.gz LDDFHGVALIAXMI-SDDRHHMPSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993103 260155845 /nfs/dbraw/zinc/15/58/45/260155845.db2.gz LDDFHGVALIAXMI-SDDRHHMPSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)N(C)CCC#N)CC[N@H+]1C ZINC000408080508 260218654 /nfs/dbraw/zinc/21/86/54/260218654.db2.gz CBYQAYZSBNNREQ-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1C ZINC000408080508 260218655 /nfs/dbraw/zinc/21/86/55/260218655.db2.gz CBYQAYZSBNNREQ-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000408110854 260236257 /nfs/dbraw/zinc/23/62/57/260236257.db2.gz WAJRPVMZBFYXQF-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129802196 260390080 /nfs/dbraw/zinc/39/00/80/260390080.db2.gz MGDJFEVADLWPQH-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129802196 260390082 /nfs/dbraw/zinc/39/00/82/260390082.db2.gz MGDJFEVADLWPQH-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CO)cc2)CC1 ZINC000490821155 261215224 /nfs/dbraw/zinc/21/52/24/261215224.db2.gz RGFWLEWGUNTRKF-UHFFFAOYSA-N 1 2 288.347 0.335 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000490876578 261234486 /nfs/dbraw/zinc/23/44/86/261234486.db2.gz UWEVPGXAGZKTSY-STQMWFEESA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000490876578 261234489 /nfs/dbraw/zinc/23/44/89/261234489.db2.gz UWEVPGXAGZKTSY-STQMWFEESA-N 1 2 299.392 0.452 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000490996986 261290543 /nfs/dbraw/zinc/29/05/43/261290543.db2.gz QWDYQOJVWVPACN-STQMWFEESA-N 1 2 266.389 0.189 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000490996986 261290546 /nfs/dbraw/zinc/29/05/46/261290546.db2.gz QWDYQOJVWVPACN-STQMWFEESA-N 1 2 266.389 0.189 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007926246 261308329 /nfs/dbraw/zinc/30/83/29/261308329.db2.gz AIWUXGIZPADALC-CQSZACIVSA-N 1 2 278.356 0.005 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007926246 261308330 /nfs/dbraw/zinc/30/83/30/261308330.db2.gz AIWUXGIZPADALC-CQSZACIVSA-N 1 2 278.356 0.005 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000528478318 269837751 /nfs/dbraw/zinc/83/77/51/269837751.db2.gz YRKRGUZCNFRULR-GFCCVEGCSA-N 1 2 299.334 0.474 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000528478318 269837752 /nfs/dbraw/zinc/83/77/52/269837752.db2.gz YRKRGUZCNFRULR-GFCCVEGCSA-N 1 2 299.334 0.474 20 30 CCEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000497229197 262117451 /nfs/dbraw/zinc/11/74/51/262117451.db2.gz PPCODCSFSGYWLO-GFCCVEGCSA-N 1 2 296.371 0.617 20 30 CCEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000497229197 262117452 /nfs/dbraw/zinc/11/74/52/262117452.db2.gz PPCODCSFSGYWLO-GFCCVEGCSA-N 1 2 296.371 0.617 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000331453723 262422754 /nfs/dbraw/zinc/42/27/54/262422754.db2.gz UHKKWSZPLDSIAJ-UHFFFAOYSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000331453723 262422755 /nfs/dbraw/zinc/42/27/55/262422755.db2.gz UHKKWSZPLDSIAJ-UHFFFAOYSA-N 1 2 279.384 0.621 20 30 CCEDLO N#CCCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000268483781 262952853 /nfs/dbraw/zinc/95/28/53/262952853.db2.gz ZUNXZAIOOCWBPM-UHFFFAOYSA-N 1 2 268.342 0.717 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000283480536 263083001 /nfs/dbraw/zinc/08/30/01/263083001.db2.gz KGHRMUNGRGUKCM-NSHDSACASA-N 1 2 285.373 0.199 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000284543930 263087393 /nfs/dbraw/zinc/08/73/93/263087393.db2.gz VPYGZTKOSDOAKZ-GFCCVEGCSA-N 1 2 277.324 0.771 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCC(=O)OC ZINC000292055754 263127824 /nfs/dbraw/zinc/12/78/24/263127824.db2.gz BRACRYMDMKCEEE-UHFFFAOYSA-N 1 2 253.302 0.067 20 30 CCEDLO C=CC[N@H+](CCC#N)CCC(=O)NCC(=O)OC ZINC000292055754 263127825 /nfs/dbraw/zinc/12/78/25/263127825.db2.gz BRACRYMDMKCEEE-UHFFFAOYSA-N 1 2 253.302 0.067 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163804827 263259442 /nfs/dbraw/zinc/25/94/42/263259442.db2.gz GBTPVPJDGMJDSL-WDEREUQCSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163804827 263259443 /nfs/dbraw/zinc/25/94/43/263259443.db2.gz GBTPVPJDGMJDSL-WDEREUQCSA-N 1 2 256.346 0.149 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981983 263369877 /nfs/dbraw/zinc/36/98/77/263369877.db2.gz COCGGHRZNXRIPB-JTQLQIEISA-N 1 2 282.344 0.083 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342288324 263413824 /nfs/dbraw/zinc/41/38/24/263413824.db2.gz OWELLDDDFCFRKJ-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000342856512 263531608 /nfs/dbraw/zinc/53/16/08/263531608.db2.gz ZDUURZJPKVOPNW-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330702549 264017754 /nfs/dbraw/zinc/01/77/54/264017754.db2.gz ZTBXJXFXNMXBNY-NSHDSACASA-N 1 2 281.360 0.950 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC(C)(C)C(N)=O)C1 ZINC000330717622 264023419 /nfs/dbraw/zinc/02/34/19/264023419.db2.gz DCQCTUJSTSPTHY-SNVBAGLBSA-N 1 2 285.392 0.297 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC(C)(C)C(N)=O)C1 ZINC000330717622 264023421 /nfs/dbraw/zinc/02/34/21/264023421.db2.gz DCQCTUJSTSPTHY-SNVBAGLBSA-N 1 2 285.392 0.297 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)[nH]2)nn1 ZINC000425349605 264024335 /nfs/dbraw/zinc/02/43/35/264024335.db2.gz GLCSEZVXPNFYBH-UHFFFAOYSA-N 1 2 275.312 0.869 20 30 CCEDLO C[C@H](CNC(=O)NC[C@H](O)C(C)(C)C)[NH+]1CCOCC1 ZINC000330816958 264046284 /nfs/dbraw/zinc/04/62/84/264046284.db2.gz NXVHUCYYEDEROH-NEPJUHHUSA-N 1 2 287.404 0.618 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000330785986 264053271 /nfs/dbraw/zinc/05/32/71/264053271.db2.gz MMWLIEGIEVBODZ-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000330785986 264053273 /nfs/dbraw/zinc/05/32/73/264053273.db2.gz MMWLIEGIEVBODZ-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@H](CCO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330880246 264061380 /nfs/dbraw/zinc/06/13/80/264061380.db2.gz ICENZMFBAPQOPG-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@H](CCO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330880246 264061383 /nfs/dbraw/zinc/06/13/83/264061383.db2.gz ICENZMFBAPQOPG-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330948481 264085628 /nfs/dbraw/zinc/08/56/28/264085628.db2.gz MWICUGUISPTYGK-BXUZGUMPSA-N 1 2 295.387 0.249 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330948481 264085631 /nfs/dbraw/zinc/08/56/31/264085631.db2.gz MWICUGUISPTYGK-BXUZGUMPSA-N 1 2 295.387 0.249 20 30 CCEDLO NC(=O)C[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000330971865 264092555 /nfs/dbraw/zinc/09/25/55/264092555.db2.gz BNSJYWSXSNITJF-GFCCVEGCSA-N 1 2 298.387 0.870 20 30 CCEDLO N#CCN1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000330923675 264094461 /nfs/dbraw/zinc/09/44/61/264094461.db2.gz DNTGPXXFGPWHFK-UHFFFAOYSA-N 1 2 275.356 0.625 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000331066322 264112255 /nfs/dbraw/zinc/11/22/55/264112255.db2.gz YGTJGCVGBHHTTC-SNVBAGLBSA-N 1 2 295.339 0.821 20 30 CCEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC000331150725 264139478 /nfs/dbraw/zinc/13/94/78/264139478.db2.gz OKIWFOLBKZDHRS-SNVBAGLBSA-N 1 2 264.329 0.899 20 30 CCEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC000331150725 264139479 /nfs/dbraw/zinc/13/94/79/264139479.db2.gz OKIWFOLBKZDHRS-SNVBAGLBSA-N 1 2 264.329 0.899 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425461391 264333988 /nfs/dbraw/zinc/33/39/88/264333988.db2.gz BNBAGBONJNJADB-FRRDWIJNSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425461391 264333990 /nfs/dbraw/zinc/33/39/90/264333990.db2.gz BNBAGBONJNJADB-FRRDWIJNSA-N 1 2 280.372 0.699 20 30 CCEDLO Cn1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1CCCC2 ZINC000518986162 265280931 /nfs/dbraw/zinc/28/09/31/265280931.db2.gz DUCGWPIQHUGMOT-HNNXBMFYSA-N 1 2 289.383 0.873 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC000519420710 265430305 /nfs/dbraw/zinc/43/03/05/265430305.db2.gz NNVURLJIDIXSLY-SNVBAGLBSA-N 1 2 268.361 0.299 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367732034 267113734 /nfs/dbraw/zinc/11/37/34/267113734.db2.gz UWDLNVYAJQYVEB-GFCCVEGCSA-N 1 2 290.342 0.481 20 30 CCEDLO N#CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369251522 267229328 /nfs/dbraw/zinc/22/93/28/267229328.db2.gz NYBAQTKTTYMDMA-CYBMUJFWSA-N 1 2 284.323 0.770 20 30 CCEDLO N#CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369251522 267229330 /nfs/dbraw/zinc/22/93/30/267229330.db2.gz NYBAQTKTTYMDMA-CYBMUJFWSA-N 1 2 284.323 0.770 20 30 CCEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC(=O)N1 ZINC000296231538 267232643 /nfs/dbraw/zinc/23/26/43/267232643.db2.gz OJMHGXSNPFTIMO-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC(=O)N1 ZINC000296231538 267232646 /nfs/dbraw/zinc/23/26/46/267232646.db2.gz OJMHGXSNPFTIMO-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530674805 267894359 /nfs/dbraw/zinc/89/43/59/267894359.db2.gz LRPFGTSZCDCSHK-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530674805 267894361 /nfs/dbraw/zinc/89/43/61/267894361.db2.gz LRPFGTSZCDCSHK-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000287203111 278016213 /nfs/dbraw/zinc/01/62/13/278016213.db2.gz IDKHLOTUTMGSFP-YPMHNXCESA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC000279380214 278262852 /nfs/dbraw/zinc/26/28/52/278262852.db2.gz UETGMTOLKLGPIJ-NSHDSACASA-N 1 2 276.340 0.679 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C)C1 ZINC000285296638 279364739 /nfs/dbraw/zinc/36/47/39/279364739.db2.gz KVAUHMKYIUYQPU-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C)C1 ZINC000285296638 279364743 /nfs/dbraw/zinc/36/47/43/279364743.db2.gz KVAUHMKYIUYQPU-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000335318565 279513025 /nfs/dbraw/zinc/51/30/25/279513025.db2.gz AWHKLUFYJXLTRG-SECBINFHSA-N 1 2 255.281 0.828 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000329748925 290199321 /nfs/dbraw/zinc/19/93/21/290199321.db2.gz FUVHOTHLSYMBFW-RFQIPJPRSA-N 1 2 297.399 0.873 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000225434630 294202322 /nfs/dbraw/zinc/20/23/22/294202322.db2.gz BSGKVNDMVXKDLY-KBPBESRZSA-N 1 2 288.351 0.442 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000225434630 294202328 /nfs/dbraw/zinc/20/23/28/294202328.db2.gz BSGKVNDMVXKDLY-KBPBESRZSA-N 1 2 288.351 0.442 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340290752 294862512 /nfs/dbraw/zinc/86/25/12/294862512.db2.gz OFEHOKKAUQZPOA-GJZGRUSLSA-N 1 2 291.326 0.579 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC12CCCC2 ZINC000333182834 303172378 /nfs/dbraw/zinc/17/23/78/303172378.db2.gz NDCZYDQLSPBGEG-HNNXBMFYSA-N 1 2 277.368 0.597 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O)CC2)cc1 ZINC000304165725 303200113 /nfs/dbraw/zinc/20/01/13/303200113.db2.gz PJOUVNKNMYGZSM-CYBMUJFWSA-N 1 2 259.309 0.541 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779329 328068317 /nfs/dbraw/zinc/06/83/17/328068317.db2.gz ZGVCUTJNLWCONP-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779329 328068318 /nfs/dbraw/zinc/06/83/18/328068318.db2.gz ZGVCUTJNLWCONP-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000563505931 328070576 /nfs/dbraw/zinc/07/05/76/328070576.db2.gz ITVSHFUGGCIBLZ-SYQHCUMBSA-N 1 2 282.384 0.803 20 30 CCEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)CCCC#N ZINC000170888087 329069493 /nfs/dbraw/zinc/06/94/93/329069493.db2.gz UFTGQWZKDJBKIG-UHFFFAOYSA-N 1 2 282.369 0.871 20 30 CCEDLO N#CC1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000558630031 327111101 /nfs/dbraw/zinc/11/11/01/327111101.db2.gz ANYHHGWUIYIBTN-VIFPVBQESA-N 1 2 259.313 0.870 20 30 CCEDLO N#CC1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000558630031 327111103 /nfs/dbraw/zinc/11/11/03/327111103.db2.gz ANYHHGWUIYIBTN-VIFPVBQESA-N 1 2 259.313 0.870 20 30 CCEDLO C=CCC[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378407298 329049422 /nfs/dbraw/zinc/04/94/22/329049422.db2.gz UXWMOAIHCCUALM-ZIAGYGMSSA-N 1 2 254.374 0.720 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000172891520 329140193 /nfs/dbraw/zinc/14/01/93/329140193.db2.gz QWLQGYMGZNYQMQ-RYUDHWBXSA-N 1 2 269.345 0.094 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000172891520 329140194 /nfs/dbraw/zinc/14/01/94/329140194.db2.gz QWLQGYMGZNYQMQ-RYUDHWBXSA-N 1 2 269.345 0.094 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000582960294 329289926 /nfs/dbraw/zinc/28/99/26/329289926.db2.gz KNQNGPYAPBMKJK-LLVKDONJSA-N 1 2 292.364 0.867 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185919987 329332646 /nfs/dbraw/zinc/33/26/46/329332646.db2.gz HGEOWTDMNCOWDV-HNNXBMFYSA-N 1 2 279.384 0.917 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185919987 329332647 /nfs/dbraw/zinc/33/26/47/329332647.db2.gz HGEOWTDMNCOWDV-HNNXBMFYSA-N 1 2 279.384 0.917 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2ccnn2CCCOC)nn1 ZINC000424170289 330310862 /nfs/dbraw/zinc/31/08/62/330310862.db2.gz JWFMIJZECUENED-UHFFFAOYSA-N 1 2 290.371 0.987 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)nn1 ZINC000424293823 330335465 /nfs/dbraw/zinc/33/54/65/330335465.db2.gz JMSHSFWCEDIJRR-SNVBAGLBSA-N 1 2 272.374 0.377 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424459961 330352288 /nfs/dbraw/zinc/35/22/88/330352288.db2.gz ALIRCWXIAIBZDC-BDAKNGLRSA-N 1 2 263.288 0.077 20 30 CCEDLO C=CCn1c(=[NH2+])[n-]nc1SCc1c[nH+]cn1C ZINC000439538240 330740237 /nfs/dbraw/zinc/74/02/37/330740237.db2.gz YSPJDCBRCXGZHW-UHFFFAOYSA-N 1 2 250.331 0.902 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000450014513 330958644 /nfs/dbraw/zinc/95/86/44/330958644.db2.gz BTUWDFXXYHNQNL-HUBLWGQQSA-N 1 2 293.367 0.632 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451443355 331029812 /nfs/dbraw/zinc/02/98/12/331029812.db2.gz YUWIBEFLYQRTNN-CHWSQXEVSA-N 1 2 289.326 0.743 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451443355 331029813 /nfs/dbraw/zinc/02/98/13/331029813.db2.gz YUWIBEFLYQRTNN-CHWSQXEVSA-N 1 2 289.326 0.743 20 30 CCEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000451930278 331047596 /nfs/dbraw/zinc/04/75/96/331047596.db2.gz PLQOFDMEMRTWNV-QWRGUYRKSA-N 1 2 299.400 0.890 20 30 CCEDLO Cc1cc(C)c(CNS(=O)(=O)N(C)CCC#N)c[nH+]1 ZINC000452049615 331052105 /nfs/dbraw/zinc/05/21/05/331052105.db2.gz UBUPRTBMWSHWMC-UHFFFAOYSA-N 1 2 282.369 0.878 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000454639535 331150235 /nfs/dbraw/zinc/15/02/35/331150235.db2.gz CKDKODIFKUPNRS-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000454639535 331150234 /nfs/dbraw/zinc/15/02/34/331150234.db2.gz CKDKODIFKUPNRS-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000458312597 331248165 /nfs/dbraw/zinc/24/81/65/331248165.db2.gz NHWOAPMHOOWPCV-OLZOCXBDSA-N 1 2 267.373 0.760 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458674275 331256723 /nfs/dbraw/zinc/25/67/23/331256723.db2.gz ZCNOGICTUSKPAM-TXEJJXNPSA-N 1 2 280.372 0.699 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458674275 331256724 /nfs/dbraw/zinc/25/67/24/331256724.db2.gz ZCNOGICTUSKPAM-TXEJJXNPSA-N 1 2 280.372 0.699 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000489802765 332068468 /nfs/dbraw/zinc/06/84/68/332068468.db2.gz LJWVXJLZVXGDCR-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000489802765 332068470 /nfs/dbraw/zinc/06/84/70/332068470.db2.gz LJWVXJLZVXGDCR-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO C#CC[N@H+](C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000490715367 332107991 /nfs/dbraw/zinc/10/79/91/332107991.db2.gz WOHHXQYXIQSTMP-NEPJUHHUSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[N@@H+](C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000490715367 332107990 /nfs/dbraw/zinc/10/79/90/332107990.db2.gz WOHHXQYXIQSTMP-NEPJUHHUSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000490840357 332119422 /nfs/dbraw/zinc/11/94/22/332119422.db2.gz NWKWRZURJQPUGS-UHFFFAOYSA-N 1 2 283.375 0.827 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000491048670 332143375 /nfs/dbraw/zinc/14/33/75/332143375.db2.gz YKORXZXNUFHRAP-OCCSQVGLSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000491048670 332143376 /nfs/dbraw/zinc/14/33/76/332143376.db2.gz YKORXZXNUFHRAP-OCCSQVGLSA-N 1 2 280.368 0.252 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000491376264 332200657 /nfs/dbraw/zinc/20/06/57/332200657.db2.gz ZFRSMLLISSLTNE-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000491376264 332200659 /nfs/dbraw/zinc/20/06/59/332200659.db2.gz ZFRSMLLISSLTNE-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000491405326 332205817 /nfs/dbraw/zinc/20/58/17/332205817.db2.gz IEZNCVHHKLTKAH-SNVBAGLBSA-N 1 2 276.340 0.900 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491546097 332235375 /nfs/dbraw/zinc/23/53/75/332235375.db2.gz ULOMOGVTWFGSGB-LBPRGKRZSA-N 1 2 267.373 0.313 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491546097 332235376 /nfs/dbraw/zinc/23/53/76/332235376.db2.gz ULOMOGVTWFGSGB-LBPRGKRZSA-N 1 2 267.373 0.313 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000491619664 332245704 /nfs/dbraw/zinc/24/57/04/332245704.db2.gz BJDVCQRONHKZIT-JKSUJKDBSA-N 1 2 287.407 0.842 20 30 CCEDLO C#C[C@H](CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491654213 332266674 /nfs/dbraw/zinc/26/66/74/332266674.db2.gz FPVLXHMQSNUJBN-GFCCVEGCSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000491702311 332296502 /nfs/dbraw/zinc/29/65/02/332296502.db2.gz VQIXKNDVUCPTMP-CABCVRRESA-N 1 2 291.395 0.017 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000491702311 332296504 /nfs/dbraw/zinc/29/65/04/332296504.db2.gz VQIXKNDVUCPTMP-CABCVRRESA-N 1 2 291.395 0.017 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000491705899 332298972 /nfs/dbraw/zinc/29/89/72/332298972.db2.gz MJQSJASLCNUGAX-WDEREUQCSA-N 1 2 259.309 0.690 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCCCN1CCCC1=O)C1CC1 ZINC000491781069 332345309 /nfs/dbraw/zinc/34/53/09/332345309.db2.gz JRWKGUQDVUKRNW-UHFFFAOYSA-N 1 2 277.368 0.213 20 30 CCEDLO C#CC[N@H+](CC(=O)NCCCN1CCCC1=O)C1CC1 ZINC000491781069 332345311 /nfs/dbraw/zinc/34/53/11/332345311.db2.gz JRWKGUQDVUKRNW-UHFFFAOYSA-N 1 2 277.368 0.213 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000491786095 332348976 /nfs/dbraw/zinc/34/89/76/332348976.db2.gz OGIKJEVGJRETDA-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000491786095 332348977 /nfs/dbraw/zinc/34/89/77/332348977.db2.gz OGIKJEVGJRETDA-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCNC(=O)CC[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000491801999 332356347 /nfs/dbraw/zinc/35/63/47/332356347.db2.gz FGHWTNGKUYRXJV-UHFFFAOYSA-N 1 2 297.305 0.911 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491803444 332357431 /nfs/dbraw/zinc/35/74/31/332357431.db2.gz JILAPGWFKLAVNZ-GFCCVEGCSA-N 1 2 270.336 0.935 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491803444 332357432 /nfs/dbraw/zinc/35/74/32/332357432.db2.gz JILAPGWFKLAVNZ-GFCCVEGCSA-N 1 2 270.336 0.935 20 30 CCEDLO CC(=O)c1c[nH]c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000517581765 333103055 /nfs/dbraw/zinc/10/30/55/333103055.db2.gz WYFZGFHVDCCEDT-UHFFFAOYSA-N 1 2 274.324 0.935 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3nc(C)ncc3C2)C1=O ZINC000520950189 333108130 /nfs/dbraw/zinc/10/81/30/333108130.db2.gz JQFWRPBMWISNHR-CQSZACIVSA-N 1 2 272.352 0.930 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3nc(C)ncc3C2)C1=O ZINC000520950189 333108131 /nfs/dbraw/zinc/10/81/31/333108131.db2.gz JQFWRPBMWISNHR-CQSZACIVSA-N 1 2 272.352 0.930 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCC(=O)OC)Cc1ccc(F)cc1 ZINC000195355531 333250947 /nfs/dbraw/zinc/25/09/47/333250947.db2.gz FGCGFNYGUDFFIJ-UHFFFAOYSA-N 1 2 292.310 0.550 20 30 CCEDLO C#CC[N@H+](CC(=O)NCC(=O)OC)Cc1ccc(F)cc1 ZINC000195355531 333250949 /nfs/dbraw/zinc/25/09/49/333250949.db2.gz FGCGFNYGUDFFIJ-UHFFFAOYSA-N 1 2 292.310 0.550 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000575998869 335140088 /nfs/dbraw/zinc/14/00/88/335140088.db2.gz NLNOMUGUDGBMLK-ZDUSSCGKSA-N 1 2 284.319 0.095 20 30 CCEDLO C[C@@](C#N)(NC(=O)CSCC[NH+]1CCOCC1)C1CC1 ZINC000127398508 333627881 /nfs/dbraw/zinc/62/78/81/333627881.db2.gz PMDMPKKTKRMRNK-AWEZNQCLSA-N 1 2 297.424 0.860 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@]2(C)CCOC2)c1C#N ZINC000543617522 333884892 /nfs/dbraw/zinc/88/48/92/333884892.db2.gz YZIDUOKPOIIFOZ-CQSZACIVSA-N 1 2 291.355 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000076570577 334084781 /nfs/dbraw/zinc/08/47/81/334084781.db2.gz PVWYPQRBCODKAY-LLVKDONJSA-N 1 2 266.345 0.088 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000076570577 334084782 /nfs/dbraw/zinc/08/47/82/334084782.db2.gz PVWYPQRBCODKAY-LLVKDONJSA-N 1 2 266.345 0.088 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1=O ZINC000547400428 334085928 /nfs/dbraw/zinc/08/59/28/334085928.db2.gz XDKPYXPYQOTNLM-GFCCVEGCSA-N 1 2 276.340 0.208 20 30 CCEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCOC1)[NH+]1CCSCC1 ZINC000547811376 334120841 /nfs/dbraw/zinc/12/08/41/334120841.db2.gz JZDYJKNHBPCGNL-CMPLNLGQSA-N 1 2 269.370 0.223 20 30 CCEDLO Cc1nn(CCc2c[nH+]cn2C)c(=O)c(C#N)c1C ZINC000554520258 334434659 /nfs/dbraw/zinc/43/46/59/334434659.db2.gz FPXURISIIFAHRI-UHFFFAOYSA-N 1 2 257.297 0.708 20 30 CCEDLO CC(C)N1CC[C@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000565429806 334563080 /nfs/dbraw/zinc/56/30/80/334563080.db2.gz KYXNBORKDMRNGN-LBPRGKRZSA-N 1 2 278.356 0.054 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343539540 335208653 /nfs/dbraw/zinc/20/86/53/335208653.db2.gz UUBBCBGPCREIOJ-UONOGXRCSA-N 1 2 274.320 0.861 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343539540 335208654 /nfs/dbraw/zinc/20/86/54/335208654.db2.gz UUBBCBGPCREIOJ-UONOGXRCSA-N 1 2 274.320 0.861 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000576826239 335252694 /nfs/dbraw/zinc/25/26/94/335252694.db2.gz MSCWLBXMNLYWMO-SNVBAGLBSA-N 1 2 296.334 0.978 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)c(N)n1 ZINC000576957463 335270052 /nfs/dbraw/zinc/27/00/52/335270052.db2.gz NRWACIZLOYJVDX-JTQLQIEISA-N 1 2 261.329 0.090 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(CC#N)CC1 ZINC000578453542 335637213 /nfs/dbraw/zinc/63/72/13/335637213.db2.gz WFOJCKXMVTWDCQ-UHFFFAOYSA-N 1 2 271.328 0.906 20 30 CCEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000581166239 336017524 /nfs/dbraw/zinc/01/75/24/336017524.db2.gz YQBPUXPMWGFFLW-LLVKDONJSA-N 1 2 270.296 0.940 20 30 CCEDLO Cc1cc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000581425648 336075271 /nfs/dbraw/zinc/07/52/71/336075271.db2.gz RWDNNEXFQJUTGZ-IAQYHMDHSA-N 1 2 299.334 0.474 20 30 CCEDLO N#Cc1ccnc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000581581725 336105789 /nfs/dbraw/zinc/10/57/89/336105789.db2.gz CEGMAHWHQDEADW-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO C[C@](O)(C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330301253 534155063 /nfs/dbraw/zinc/15/50/63/534155063.db2.gz NQJJTRTWOPZCLX-FZMZJTMJSA-N 1 2 278.356 0.863 20 30 CCEDLO C[C@](O)(CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330301253 534155067 /nfs/dbraw/zinc/15/50/67/534155067.db2.gz NQJJTRTWOPZCLX-FZMZJTMJSA-N 1 2 278.356 0.863 20 30 CCEDLO CN(CC#N)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492788443 517922048 /nfs/dbraw/zinc/92/20/48/517922048.db2.gz GDSNYOJSQVCFCP-UHFFFAOYSA-N 1 2 282.388 0.994 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000156300833 523766068 /nfs/dbraw/zinc/76/60/68/523766068.db2.gz YMRRZXDCEJZVCN-HZSPNIEDSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000156300833 523766070 /nfs/dbraw/zinc/76/60/70/523766070.db2.gz YMRRZXDCEJZVCN-HZSPNIEDSA-N 1 2 290.319 0.200 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339954375 524721104 /nfs/dbraw/zinc/72/11/04/524721104.db2.gz DPBUIEFXIOMSCF-JTQLQIEISA-N 1 2 263.297 0.602 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339954375 524721097 /nfs/dbraw/zinc/72/10/97/524721097.db2.gz DPBUIEFXIOMSCF-JTQLQIEISA-N 1 2 263.297 0.602 20 30 CCEDLO C=CCN(CCOC)c1nc[nH+]c2c1OCCN2 ZINC000665714397 545105332 /nfs/dbraw/zinc/10/53/32/545105332.db2.gz AKPUFJWXAGYKLU-UHFFFAOYSA-N 1 2 250.302 0.920 20 30 CCEDLO C=CCN(CCOC)c1[nH+]cnc2c1OCCN2 ZINC000665714397 545105333 /nfs/dbraw/zinc/10/53/33/545105333.db2.gz AKPUFJWXAGYKLU-UHFFFAOYSA-N 1 2 250.302 0.920 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352666730 526541062 /nfs/dbraw/zinc/54/10/62/526541062.db2.gz IENWNISFCAUGBC-STQMWFEESA-N 1 2 281.400 0.962 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352666730 526541066 /nfs/dbraw/zinc/54/10/66/526541066.db2.gz IENWNISFCAUGBC-STQMWFEESA-N 1 2 281.400 0.962 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)nc1 ZINC000339965737 526647831 /nfs/dbraw/zinc/64/78/31/526647831.db2.gz NBIDMZDOBPXCKT-UHFFFAOYSA-N 1 2 299.334 0.198 20 30 CCEDLO CC(=O)N1CC[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000330186803 526654660 /nfs/dbraw/zinc/65/46/60/526654660.db2.gz SJGMUTRZOTZWBM-YPMHNXCESA-N 1 2 283.372 0.532 20 30 CCEDLO CC(=O)N1CC[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000330186803 526654664 /nfs/dbraw/zinc/65/46/64/526654664.db2.gz SJGMUTRZOTZWBM-YPMHNXCESA-N 1 2 283.372 0.532 20 30 CCEDLO C=CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000354220599 526696276 /nfs/dbraw/zinc/69/62/76/526696276.db2.gz RVVGMFNTSPBFEI-UHFFFAOYSA-N 1 2 261.325 0.933 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344785301 527391346 /nfs/dbraw/zinc/39/13/46/527391346.db2.gz JUBMZSXTJVQOKM-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367013131 527408811 /nfs/dbraw/zinc/40/88/11/527408811.db2.gz JJOWCVQLRWMFDB-GFCCVEGCSA-N 1 2 274.386 0.299 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670410040 545233525 /nfs/dbraw/zinc/23/35/25/545233525.db2.gz AGRXIVWKNNZEGA-AWEZNQCLSA-N 1 2 281.400 0.475 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670410040 545233526 /nfs/dbraw/zinc/23/35/26/545233526.db2.gz AGRXIVWKNNZEGA-AWEZNQCLSA-N 1 2 281.400 0.475 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682522098 545482185 /nfs/dbraw/zinc/48/21/85/545482185.db2.gz JEWRDTGOECJFNV-RYUDHWBXSA-N 1 2 263.341 0.746 20 30 CCEDLO CNC(=S)N[NH+]=Cc1ccc(N(C)CCOC)nc1 ZINC000790141231 581178004 /nfs/dbraw/zinc/17/80/04/581178004.db2.gz APKXLAHNFCFWMY-UHFFFAOYSA-N 1 2 281.385 0.592 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CC2(C(=O)OCC)CCC2)CC1 ZINC000788766922 581124073 /nfs/dbraw/zinc/12/40/73/581124073.db2.gz ZZEPJZORHROKAL-UHFFFAOYSA-N 1 2 292.379 0.887 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 ZINC000779662667 581198300 /nfs/dbraw/zinc/19/83/00/581198300.db2.gz ZUPHSFQEQUKDTH-UHFFFAOYSA-N 1 2 287.367 0.324 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091092 581219606 /nfs/dbraw/zinc/21/96/06/581219606.db2.gz FRQSGFIZTITHFO-TZMCWYRMSA-N 1 2 288.347 0.970 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000791420332 581221195 /nfs/dbraw/zinc/22/11/95/581221195.db2.gz LRKDYLSZIJDXAG-CYBMUJFWSA-N 1 2 288.413 0.286 20 30 CCEDLO COCCO[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000780490389 581230666 /nfs/dbraw/zinc/23/06/66/581230666.db2.gz VWGLCRDNTLTDHA-ZDUSSCGKSA-N 1 2 291.351 0.723 20 30 CCEDLO COCCO[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000780490389 581230667 /nfs/dbraw/zinc/23/06/67/581230667.db2.gz VWGLCRDNTLTDHA-ZDUSSCGKSA-N 1 2 291.351 0.723 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000791918843 581239723 /nfs/dbraw/zinc/23/97/23/581239723.db2.gz XOSUUXDPKLVCKK-JQWIXIFHSA-N 1 2 288.355 0.283 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000791918843 581239725 /nfs/dbraw/zinc/23/97/25/581239725.db2.gz XOSUUXDPKLVCKK-JQWIXIFHSA-N 1 2 288.355 0.283 20 30 CCEDLO CCOCC(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000726417343 581239916 /nfs/dbraw/zinc/23/99/16/581239916.db2.gz FMUWBWHTLXOIIM-UHFFFAOYSA-N 1 2 288.417 0.195 20 30 CCEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NCCC#N ZINC000781347082 581265634 /nfs/dbraw/zinc/26/56/34/581265634.db2.gz OHVPUIMQVMJUSP-NSHDSACASA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NCCC#N ZINC000781347082 581265635 /nfs/dbraw/zinc/26/56/35/581265635.db2.gz OHVPUIMQVMJUSP-NSHDSACASA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)c1cn(C[NH+]2CCC(CC#N)CC2)nn1 ZINC000781572808 581272056 /nfs/dbraw/zinc/27/20/56/581272056.db2.gz UPQKWSRHVUSXNX-UHFFFAOYSA-N 1 2 263.301 0.648 20 30 CCEDLO Nc1ncc(C=[NH+]NCCOCC(F)(F)F)cn1 ZINC000781597119 581272732 /nfs/dbraw/zinc/27/27/32/581272732.db2.gz QZCPUKJQLZERMO-UHFFFAOYSA-N 1 2 263.223 0.561 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccc(C#N)cn1 ZINC000793008262 581280136 /nfs/dbraw/zinc/28/01/36/581280136.db2.gz LNOHVFUKDDSECW-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000728855327 581378240 /nfs/dbraw/zinc/37/82/40/581378240.db2.gz NKZYNEUBLVUPFE-UHFFFAOYSA-N 1 2 259.309 0.125 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794711833 581385035 /nfs/dbraw/zinc/38/50/35/581385035.db2.gz UIIZIJDHYUWTGN-NSHDSACASA-N 1 2 282.373 0.150 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794711833 581385036 /nfs/dbraw/zinc/38/50/36/581385036.db2.gz UIIZIJDHYUWTGN-NSHDSACASA-N 1 2 282.373 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794803960 581388863 /nfs/dbraw/zinc/38/88/63/581388863.db2.gz RULXNTMJAHOQDS-SECBINFHSA-N 1 2 252.767 0.705 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794803960 581388864 /nfs/dbraw/zinc/38/88/64/581388864.db2.gz RULXNTMJAHOQDS-SECBINFHSA-N 1 2 252.767 0.705 20 30 CCEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000784848104 581395676 /nfs/dbraw/zinc/39/56/76/581395676.db2.gz GSBLGWJMIKCIAW-VIFPVBQESA-N 1 2 256.265 0.411 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000796011814 581429936 /nfs/dbraw/zinc/42/99/36/581429936.db2.gz UYPXMVKYMZOCJU-HNNXBMFYSA-N 1 2 289.335 0.199 20 30 CCEDLO C=CCC[N@@H+](C)Cn1nc(CCC(N)=O)n(C)c1=S ZINC000786102857 581430813 /nfs/dbraw/zinc/43/08/13/581430813.db2.gz XNZVZCUBXWKDDM-UHFFFAOYSA-N 1 2 283.401 0.834 20 30 CCEDLO C=CCC[N@H+](C)Cn1nc(CCC(N)=O)n(C)c1=S ZINC000786102857 581430815 /nfs/dbraw/zinc/43/08/15/581430815.db2.gz XNZVZCUBXWKDDM-UHFFFAOYSA-N 1 2 283.401 0.834 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000786442371 581441060 /nfs/dbraw/zinc/44/10/60/581441060.db2.gz FXCPTXIUTIPOJG-LOWVWBTDSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000786442371 581441062 /nfs/dbraw/zinc/44/10/62/581441062.db2.gz FXCPTXIUTIPOJG-LOWVWBTDSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000796559811 581443832 /nfs/dbraw/zinc/44/38/32/581443832.db2.gz BKUOVBHNOQAKPU-CQSZACIVSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000796559811 581443834 /nfs/dbraw/zinc/44/38/34/581443834.db2.gz BKUOVBHNOQAKPU-CQSZACIVSA-N 1 2 266.341 0.006 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000796603432 581445965 /nfs/dbraw/zinc/44/59/65/581445965.db2.gz JAUBTJNMOYZKEZ-YJYMSZOUSA-N 1 2 285.413 0.449 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)nc1C#N ZINC000786784634 581448901 /nfs/dbraw/zinc/44/89/01/581448901.db2.gz DIMZHODASKQYDM-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000787247900 581462606 /nfs/dbraw/zinc/46/26/06/581462606.db2.gz VCJKKWACCNZAEO-PWSUYJOCSA-N 1 2 275.308 0.561 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000787247900 581462607 /nfs/dbraw/zinc/46/26/07/581462607.db2.gz VCJKKWACCNZAEO-PWSUYJOCSA-N 1 2 275.308 0.561 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC2CCC2)NC(C)=O)CC1 ZINC000787351844 581468859 /nfs/dbraw/zinc/46/88/59/581468859.db2.gz SUZPWULWFGOTFZ-OAHLLOKOSA-N 1 2 291.395 0.459 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)nc1 ZINC000728859858 581512658 /nfs/dbraw/zinc/51/26/58/581512658.db2.gz DICBONGIKRNKCN-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000728864561 581514597 /nfs/dbraw/zinc/51/45/97/581514597.db2.gz LURAJDGLEWBGCZ-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000728864561 581514598 /nfs/dbraw/zinc/51/45/98/581514598.db2.gz LURAJDGLEWBGCZ-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2csc3nccn23)CC1 ZINC000765528815 581524525 /nfs/dbraw/zinc/52/45/25/581524525.db2.gz VXBARRCXQTVVAC-UHFFFAOYSA-N 1 2 288.376 0.716 20 30 CCEDLO CCC(=[NH+]NC1=NC(=O)C(=O)N1)c1ccc(N(C)C)cc1 ZINC000765594154 581528035 /nfs/dbraw/zinc/52/80/35/581528035.db2.gz SBCBHRALUCKIIF-UHFFFAOYSA-N 1 2 287.323 0.469 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765963871 581542410 /nfs/dbraw/zinc/54/24/10/581542410.db2.gz MLKUVWZXUFVHOZ-AWEZNQCLSA-N 1 2 298.346 0.485 20 30 CCEDLO C#CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000754063738 581573060 /nfs/dbraw/zinc/57/30/60/581573060.db2.gz KQOAZEFPYORHJC-NSHDSACASA-N 1 2 281.356 0.287 20 30 CCEDLO C#CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000754063738 581573062 /nfs/dbraw/zinc/57/30/62/581573062.db2.gz KQOAZEFPYORHJC-NSHDSACASA-N 1 2 281.356 0.287 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000754349244 581587137 /nfs/dbraw/zinc/58/71/37/581587137.db2.gz WQIQCBVFAMPUOW-LBPRGKRZSA-N 1 2 264.325 0.869 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767113894 581597447 /nfs/dbraw/zinc/59/74/47/581597447.db2.gz YMMXNAZSBJCDQJ-MNOVXSKESA-N 1 2 284.381 0.105 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767113894 581597449 /nfs/dbraw/zinc/59/74/49/581597449.db2.gz YMMXNAZSBJCDQJ-MNOVXSKESA-N 1 2 284.381 0.105 20 30 CCEDLO N#Cc1c(NCCn2cc[nH+]c2)cccc1S(N)(=O)=O ZINC000754961954 581617137 /nfs/dbraw/zinc/61/71/37/581617137.db2.gz QAFMLIOZKLEPSZ-UHFFFAOYSA-N 1 2 291.336 0.514 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000768177857 581646747 /nfs/dbraw/zinc/64/67/47/581646747.db2.gz SVJUWWAVHMFPQW-IBGZPJMESA-N 1 2 284.425 0.703 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000730283103 581690895 /nfs/dbraw/zinc/69/08/95/581690895.db2.gz OXBLNHJADRJASW-AVGNSLFASA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000730283103 581690896 /nfs/dbraw/zinc/69/08/96/581690896.db2.gz OXBLNHJADRJASW-AVGNSLFASA-N 1 2 279.384 0.503 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000769961022 581718245 /nfs/dbraw/zinc/71/82/45/581718245.db2.gz LQCNOUOGMDBVEG-SNVBAGLBSA-N 1 2 270.354 0.983 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000769961022 581718247 /nfs/dbraw/zinc/71/82/47/581718247.db2.gz LQCNOUOGMDBVEG-SNVBAGLBSA-N 1 2 270.354 0.983 20 30 CCEDLO CC(C)[N@H+]1CC(=NN[C@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000754254901 581734861 /nfs/dbraw/zinc/73/48/61/581734861.db2.gz QYJPURLEMGLJSJ-QWRGUYRKSA-N 1 2 273.402 0.479 20 30 CCEDLO CC(C)[N@@H+]1CC(=NN[C@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000754254901 581734862 /nfs/dbraw/zinc/73/48/62/581734862.db2.gz QYJPURLEMGLJSJ-QWRGUYRKSA-N 1 2 273.402 0.479 20 30 CCEDLO C#CC[N@@H+](CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 ZINC000744399063 581841131 /nfs/dbraw/zinc/84/11/31/581841131.db2.gz VTTDZOSWVIZLKH-NSHDSACASA-N 1 2 257.355 0.145 20 30 CCEDLO C#CC[N@H+](CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 ZINC000744399063 581841134 /nfs/dbraw/zinc/84/11/34/581841134.db2.gz VTTDZOSWVIZLKH-NSHDSACASA-N 1 2 257.355 0.145 20 30 CCEDLO C=CCOCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000744606332 581845784 /nfs/dbraw/zinc/84/57/84/581845784.db2.gz IMZCZJBQDYBSBL-LLVKDONJSA-N 1 2 283.397 0.825 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nncn1C(C)C ZINC000732762909 581846977 /nfs/dbraw/zinc/84/69/77/581846977.db2.gz CZXUZEFGUAVDGY-LBPRGKRZSA-N 1 2 275.356 0.573 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nncn1C(C)C ZINC000732762909 581846978 /nfs/dbraw/zinc/84/69/78/581846978.db2.gz CZXUZEFGUAVDGY-LBPRGKRZSA-N 1 2 275.356 0.573 20 30 CCEDLO C[C@@H]1CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000760550579 581864860 /nfs/dbraw/zinc/86/48/60/581864860.db2.gz HOXSPFDVXYZQQQ-CYBMUJFWSA-N 1 2 299.378 0.901 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000745794279 581885691 /nfs/dbraw/zinc/88/56/91/581885691.db2.gz YHGWZYGYDUBGMK-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794279 581885694 /nfs/dbraw/zinc/88/56/94/581885694.db2.gz YHGWZYGYDUBGMK-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761072841 581886079 /nfs/dbraw/zinc/88/60/79/581886079.db2.gz FINWNCKBYQGBMQ-VXGBXAGGSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761072841 581886080 /nfs/dbraw/zinc/88/60/80/581886080.db2.gz FINWNCKBYQGBMQ-VXGBXAGGSA-N 1 2 252.362 0.383 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000761107842 581888422 /nfs/dbraw/zinc/88/84/22/581888422.db2.gz ITDKUDBCLOHOOY-JTQLQIEISA-N 1 2 253.302 0.859 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000761107842 581888425 /nfs/dbraw/zinc/88/84/25/581888425.db2.gz ITDKUDBCLOHOOY-JTQLQIEISA-N 1 2 253.302 0.859 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000761247001 581899180 /nfs/dbraw/zinc/89/91/80/581899180.db2.gz OBNBKJLCGWSNPN-NEPJUHHUSA-N 1 2 281.356 0.546 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+](CC3(CO)COC3)CCO2)c1 ZINC000761763545 581919861 /nfs/dbraw/zinc/91/98/61/581919861.db2.gz SJJUZXJNMLPHCY-HNNXBMFYSA-N 1 2 288.347 0.940 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+](CC3(CO)COC3)CCO2)c1 ZINC000761763545 581919863 /nfs/dbraw/zinc/91/98/63/581919863.db2.gz SJJUZXJNMLPHCY-HNNXBMFYSA-N 1 2 288.347 0.940 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000775324909 582018085 /nfs/dbraw/zinc/01/80/85/582018085.db2.gz ASSWHNGVWOUQJK-UBHSHLNASA-N 1 2 273.336 0.743 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000775331943 582018929 /nfs/dbraw/zinc/01/89/29/582018929.db2.gz WZTNAURTOFEVHQ-FRRDWIJNSA-N 1 2 273.336 0.743 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000775331941 582019076 /nfs/dbraw/zinc/01/90/76/582019076.db2.gz WZTNAURTOFEVHQ-AVGNSLFASA-N 1 2 273.336 0.743 20 30 CCEDLO Cn1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000749859617 582025086 /nfs/dbraw/zinc/02/50/86/582025086.db2.gz WXKQPVVKZQIEJO-UHFFFAOYSA-N 1 2 295.412 0.155 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCCO1 ZINC000775790237 582038284 /nfs/dbraw/zinc/03/82/84/582038284.db2.gz HILAGYDGWHYLBR-NEPJUHHUSA-N 1 2 272.308 0.293 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000764966815 582079004 /nfs/dbraw/zinc/07/90/04/582079004.db2.gz VXVPTWPKMRMZKA-UONOGXRCSA-N 1 2 264.369 0.825 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000768375241 582106028 /nfs/dbraw/zinc/10/60/28/582106028.db2.gz GGWRARGUTZTEDV-RISCZKNCSA-N 1 2 274.368 0.863 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000768375241 582106029 /nfs/dbraw/zinc/10/60/29/582106029.db2.gz GGWRARGUTZTEDV-RISCZKNCSA-N 1 2 274.368 0.863 20 30 CCEDLO C#CCOCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800189079 612981263 /nfs/dbraw/zinc/98/12/63/612981263.db2.gz DQLUKRQFXNOYQH-LBPRGKRZSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800189079 612981264 /nfs/dbraw/zinc/98/12/64/612981264.db2.gz DQLUKRQFXNOYQH-LBPRGKRZSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCO[C@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837841773 613004283 /nfs/dbraw/zinc/00/42/83/613004283.db2.gz IIFKYQOWBBBVPS-UPJWGTAASA-N 1 2 267.325 0.431 20 30 CCEDLO C#CCO[C@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837841773 613004285 /nfs/dbraw/zinc/00/42/85/613004285.db2.gz IIFKYQOWBBBVPS-UPJWGTAASA-N 1 2 267.325 0.431 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317139 612948047 /nfs/dbraw/zinc/94/80/47/612948047.db2.gz IEPLCTWNEKQWLJ-GFCCVEGCSA-N 1 2 272.352 0.471 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317139 612948049 /nfs/dbraw/zinc/94/80/49/612948049.db2.gz IEPLCTWNEKQWLJ-GFCCVEGCSA-N 1 2 272.352 0.471 20 30 CCEDLO CS(=O)(=O)[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848419146 617183472 /nfs/dbraw/zinc/18/34/72/617183472.db2.gz ZSTXLEPTINGXMA-LBPRGKRZSA-N 1 2 284.385 0.816 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280847 612953389 /nfs/dbraw/zinc/95/33/89/612953389.db2.gz IISZRZMSQRHVRT-GHMZBOCLSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280847 612953390 /nfs/dbraw/zinc/95/33/90/612953390.db2.gz IISZRZMSQRHVRT-GHMZBOCLSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CC1(O)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000890526059 612953773 /nfs/dbraw/zinc/95/37/73/612953773.db2.gz GNUPNLSNABTYDO-SECBINFHSA-N 1 2 287.241 0.583 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000798345295 613056243 /nfs/dbraw/zinc/05/62/43/613056243.db2.gz ZOFNUEVECQKWJD-GFCCVEGCSA-N 1 2 264.329 0.347 20 30 CCEDLO C#CC[C@H](COC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869498311 613059717 /nfs/dbraw/zinc/05/97/17/613059717.db2.gz LFTMXGPBXPAHII-RYWCDNDXSA-N 1 2 266.341 0.029 20 30 CCEDLO C#C[C@@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823313541 613086750 /nfs/dbraw/zinc/08/67/50/613086750.db2.gz ACEUUAAKXTXVBI-DTWKUNHWSA-N 1 2 275.230 0.487 20 30 CCEDLO CC(C)CCc1noc(CO[NH+]=C(N)CCO)n1 ZINC000136065980 614062082 /nfs/dbraw/zinc/06/20/82/614062082.db2.gz DLVUBPRDQHGFLO-UHFFFAOYSA-N 1 2 256.306 0.829 20 30 CCEDLO CC(C)[C@@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865633779 614072341 /nfs/dbraw/zinc/07/23/41/614072341.db2.gz NLDLKMXBTXZMSG-AAOUONPWSA-N 1 2 251.330 0.539 20 30 CCEDLO C#CCOCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000755853068 612977633 /nfs/dbraw/zinc/97/76/33/612977633.db2.gz UWVBWKIMCOMNGQ-UHFFFAOYSA-N 1 2 260.293 0.711 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951867890 617289953 /nfs/dbraw/zinc/28/99/53/617289953.db2.gz MOFJBGHTXBJBKG-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000899121394 612950733 /nfs/dbraw/zinc/95/07/33/612950733.db2.gz BNOADHCNIMFCNN-LBPRGKRZSA-N 1 2 261.325 0.821 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000895384397 612952521 /nfs/dbraw/zinc/95/25/21/612952521.db2.gz MPZXFRHENPRGMD-UHFFFAOYSA-N 1 2 297.362 0.682 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462208 612965311 /nfs/dbraw/zinc/96/53/11/612965311.db2.gz FLFIXFKMAXECGN-CYBMUJFWSA-N 1 2 274.368 0.943 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000857275734 612966292 /nfs/dbraw/zinc/96/62/92/612966292.db2.gz WORTXDVVZJFWEU-MRXNPFEDSA-N 1 2 288.391 0.972 20 30 CCEDLO C#CCCN(CCOC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000912728884 612986447 /nfs/dbraw/zinc/98/64/47/612986447.db2.gz PHVYLXNIDBRJKX-FYWRMAATSA-N 1 2 294.395 0.763 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(COC)on2)C1 ZINC000952418493 612991783 /nfs/dbraw/zinc/99/17/83/612991783.db2.gz QZJHHIYVEMLNPL-UHFFFAOYSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3n(n2)CCO3)C1 ZINC000950517588 612992070 /nfs/dbraw/zinc/99/20/70/612992070.db2.gz BBZCQYLDYPDCAE-UHFFFAOYSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC000815186482 613011180 /nfs/dbraw/zinc/01/11/80/613011180.db2.gz UPIUUHREYJCCDP-UHFFFAOYSA-N 1 2 288.351 0.447 20 30 CCEDLO C#CCC[NH+]1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000119803282 613011601 /nfs/dbraw/zinc/01/16/01/613011601.db2.gz YLUOSBZVDGNNLQ-UHFFFAOYSA-N 1 2 286.441 0.841 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859039065 613033879 /nfs/dbraw/zinc/03/38/79/613033879.db2.gz XVQKJLCGYKJGLU-KBPBESRZSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000810402383 613047915 /nfs/dbraw/zinc/04/79/15/613047915.db2.gz IHFVBKDVJUZSGQ-ZDUSSCGKSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000810402383 613047917 /nfs/dbraw/zinc/04/79/17/613047917.db2.gz IHFVBKDVJUZSGQ-ZDUSSCGKSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)CCc1c[nH+]cn1C ZINC000863782965 613049559 /nfs/dbraw/zinc/04/95/59/613049559.db2.gz FINAICJUZMOAPO-GFCCVEGCSA-N 1 2 263.341 0.897 20 30 CCEDLO C#CCCOC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000859281418 613050464 /nfs/dbraw/zinc/05/04/64/613050464.db2.gz NYMIDPKVOCMPPO-HNNXBMFYSA-N 1 2 296.367 0.352 20 30 CCEDLO C#CCCOC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000859281418 613050465 /nfs/dbraw/zinc/05/04/65/613050465.db2.gz NYMIDPKVOCMPPO-HNNXBMFYSA-N 1 2 296.367 0.352 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000854909565 613069100 /nfs/dbraw/zinc/06/91/00/613069100.db2.gz CUKLBJUDGWWMAH-MNOVXSKESA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000886361409 613074396 /nfs/dbraw/zinc/07/43/96/613074396.db2.gz GWUNYTMBYUVIJF-VIFPVBQESA-N 1 2 250.327 0.822 20 30 CCEDLO C#CC[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000886361409 613074397 /nfs/dbraw/zinc/07/43/97/613074397.db2.gz GWUNYTMBYUVIJF-VIFPVBQESA-N 1 2 250.327 0.822 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000834606605 613077454 /nfs/dbraw/zinc/07/74/54/613077454.db2.gz OHPYRNBPANZPPJ-ZDUSSCGKSA-N 1 2 283.335 0.592 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000822074453 613098368 /nfs/dbraw/zinc/09/83/68/613098368.db2.gz XHPMCEMKOMKMQP-PRULPYPASA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000822074453 613098369 /nfs/dbraw/zinc/09/83/69/613098369.db2.gz XHPMCEMKOMKMQP-PRULPYPASA-N 1 2 259.309 0.810 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000950658911 613111115 /nfs/dbraw/zinc/11/11/15/613111115.db2.gz YWKRJKUWWPEDKI-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC000941515851 613114715 /nfs/dbraw/zinc/11/47/15/613114715.db2.gz FVZLYLVHHRTGHS-UHFFFAOYSA-N 1 2 275.396 0.660 20 30 CCEDLO C#C[C@H](NC(=O)NCc1c[nH+]cn1C)C1CCOCC1 ZINC000852343663 613141696 /nfs/dbraw/zinc/14/16/96/613141696.db2.gz FRCUNTGCHQVRAH-ZDUSSCGKSA-N 1 2 276.340 0.648 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000982096306 613150084 /nfs/dbraw/zinc/15/00/84/613150084.db2.gz ZYXVQHHFJVJODD-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000982096306 613150086 /nfs/dbraw/zinc/15/00/86/613150086.db2.gz ZYXVQHHFJVJODD-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO C#C[C@H]1CCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000908279993 613155894 /nfs/dbraw/zinc/15/58/94/613155894.db2.gz GLSZDADRAWDUQM-LBPRGKRZSA-N 1 2 267.354 0.701 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000847021738 613159366 /nfs/dbraw/zinc/15/93/66/613159366.db2.gz OHWYVDCTQHMOBI-NSHDSACASA-N 1 2 256.309 0.868 20 30 CCEDLO C#C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000847021738 613159369 /nfs/dbraw/zinc/15/93/69/613159369.db2.gz OHWYVDCTQHMOBI-NSHDSACASA-N 1 2 256.309 0.868 20 30 CCEDLO C#C[C@](C)(CC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868629585 613163213 /nfs/dbraw/zinc/16/32/13/613163213.db2.gz KSYYBYBDVXYUEK-PSKZRQQASA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncccc2O)C1 ZINC000923567016 613174966 /nfs/dbraw/zinc/17/49/66/613174966.db2.gz WAQOWBROWXJJGS-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2O)C1 ZINC000923567016 613174968 /nfs/dbraw/zinc/17/49/68/613174968.db2.gz WAQOWBROWXJJGS-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C3CC3)no2)C1 ZINC000902730387 613192220 /nfs/dbraw/zinc/19/22/20/613192220.db2.gz QKAQNKFNOMKMOX-NSHDSACASA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C3CC3)no2)C1 ZINC000902730387 613192222 /nfs/dbraw/zinc/19/22/22/613192222.db2.gz QKAQNKFNOMKMOX-NSHDSACASA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509630 613193370 /nfs/dbraw/zinc/19/33/70/613193370.db2.gz VEPKZXGKIIKCII-FQUUOJAGSA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509630 613193371 /nfs/dbraw/zinc/19/33/71/613193371.db2.gz VEPKZXGKIIKCII-FQUUOJAGSA-N 1 2 298.408 0.323 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000929489078 613195046 /nfs/dbraw/zinc/19/50/46/613195046.db2.gz XXAGXPRPSFWODU-LBPRGKRZSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000929489078 613195048 /nfs/dbraw/zinc/19/50/48/613195048.db2.gz XXAGXPRPSFWODU-LBPRGKRZSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1cccnc1 ZINC000910960640 613201814 /nfs/dbraw/zinc/20/18/14/613201814.db2.gz OFSYTBIWSGFVCT-KGLIPLIRSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1cccnc1 ZINC000910960640 613201816 /nfs/dbraw/zinc/20/18/16/613201816.db2.gz OFSYTBIWSGFVCT-KGLIPLIRSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CCN1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845502013 613206117 /nfs/dbraw/zinc/20/61/17/613206117.db2.gz YBKLDQVGUWGWAH-UHFFFAOYSA-N 1 2 286.379 0.539 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC)n2CC(=C)C)CC1 ZINC000802564509 613209848 /nfs/dbraw/zinc/20/98/48/613209848.db2.gz FVKCADKTCSTXIO-UHFFFAOYSA-N 1 2 289.383 0.756 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnco3)CC2)C1 ZINC000949429897 613210077 /nfs/dbraw/zinc/21/00/77/613210077.db2.gz HTJZVSIJFRWGML-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnco3)CC2)C1 ZINC000949429897 613210079 /nfs/dbraw/zinc/21/00/79/613210079.db2.gz HTJZVSIJFRWGML-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC000949314430 613210363 /nfs/dbraw/zinc/21/03/63/613210363.db2.gz SWWRTZQAYBUTGP-CYBMUJFWSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC000949314430 613210365 /nfs/dbraw/zinc/21/03/65/613210365.db2.gz SWWRTZQAYBUTGP-CYBMUJFWSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC000949288935 613210590 /nfs/dbraw/zinc/21/05/90/613210590.db2.gz CLWYPCFPYAIDGC-ZIAGYGMSSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC000949288935 613210591 /nfs/dbraw/zinc/21/05/91/613210591.db2.gz CLWYPCFPYAIDGC-ZIAGYGMSSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3=CCOCC3)C2)C1 ZINC000972354725 613211027 /nfs/dbraw/zinc/21/10/27/613211027.db2.gz FADQAOPGLSRDDJ-INIZCTEOSA-N 1 2 290.363 0.270 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3=CCOCC3)C2)C1 ZINC000972354725 613211029 /nfs/dbraw/zinc/21/10/29/613211029.db2.gz FADQAOPGLSRDDJ-INIZCTEOSA-N 1 2 290.363 0.270 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395777 613211936 /nfs/dbraw/zinc/21/19/36/613211936.db2.gz HVOAKGWTVNXQHC-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395777 613211938 /nfs/dbraw/zinc/21/19/38/613211938.db2.gz HVOAKGWTVNXQHC-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972684956 613212139 /nfs/dbraw/zinc/21/21/39/613212139.db2.gz ZHYITEBUYGFDGR-MRXNPFEDSA-N 1 2 287.363 0.494 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972684956 613212141 /nfs/dbraw/zinc/21/21/41/613212141.db2.gz ZHYITEBUYGFDGR-MRXNPFEDSA-N 1 2 287.363 0.494 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972229922 613212369 /nfs/dbraw/zinc/21/23/69/613212369.db2.gz DJUJXYZEGCOAEU-OAHLLOKOSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972229922 613212370 /nfs/dbraw/zinc/21/23/70/613212370.db2.gz DJUJXYZEGCOAEU-OAHLLOKOSA-N 1 2 262.353 0.889 20 30 CCEDLO C/C(=C/C(=O)NCC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000907295684 613235621 /nfs/dbraw/zinc/23/56/21/613235621.db2.gz NUPDOXGGRHCMNP-WQLSENKSSA-N 1 2 265.357 0.931 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941098637 613244146 /nfs/dbraw/zinc/24/41/46/613244146.db2.gz DODAIAJPDWXQRU-SNVBAGLBSA-N 1 2 261.329 0.268 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941098637 613244148 /nfs/dbraw/zinc/24/41/48/613244148.db2.gz DODAIAJPDWXQRU-SNVBAGLBSA-N 1 2 261.329 0.268 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC000967397257 613252146 /nfs/dbraw/zinc/25/21/46/613252146.db2.gz MQIHIBFAJHIGTK-GXTWGEPZSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC000967397257 613252149 /nfs/dbraw/zinc/25/21/49/613252149.db2.gz MQIHIBFAJHIGTK-GXTWGEPZSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2COCCN2C)C1 ZINC000949927409 613294520 /nfs/dbraw/zinc/29/45/20/613294520.db2.gz ZOXFYSXMAXMJKG-AWEZNQCLSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(=O)[nH]n2)C1 ZINC000949619225 613296380 /nfs/dbraw/zinc/29/63/80/613296380.db2.gz YMLRGPRHSZJURH-UHFFFAOYSA-N 1 2 276.340 0.905 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC000957741177 613321306 /nfs/dbraw/zinc/32/13/06/613321306.db2.gz ASMNAXIXQOBBBK-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C=C(C)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775249 613351871 /nfs/dbraw/zinc/35/18/71/613351871.db2.gz DLVHPPFATRWTFV-OLZOCXBDSA-N 1 2 269.341 0.986 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118189 613354961 /nfs/dbraw/zinc/35/49/61/613354961.db2.gz QBAKHXWKQOEQOG-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000865307468 613357002 /nfs/dbraw/zinc/35/70/02/613357002.db2.gz QFIVWNNCKDDNKN-SRVKXCTJSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000865307468 613357003 /nfs/dbraw/zinc/35/70/03/613357003.db2.gz QFIVWNNCKDDNKN-SRVKXCTJSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843879298 613366000 /nfs/dbraw/zinc/36/60/00/613366000.db2.gz WZEREJDSVTXRSD-JTQLQIEISA-N 1 2 279.344 0.334 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969596921 613372051 /nfs/dbraw/zinc/37/20/51/613372051.db2.gz WLQIIOXVUGBDRA-SECBINFHSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981780497 613373795 /nfs/dbraw/zinc/37/37/95/613373795.db2.gz XTZBDNQANYNWDV-LBPRGKRZSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000981780497 613373796 /nfs/dbraw/zinc/37/37/96/613373796.db2.gz XTZBDNQANYNWDV-LBPRGKRZSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)C(C)(C)C1 ZINC000977549685 613379947 /nfs/dbraw/zinc/37/99/47/613379947.db2.gz APVMJVATGNUKSA-LLVKDONJSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)C(C)(C)C1 ZINC000977549685 613379948 /nfs/dbraw/zinc/37/99/48/613379948.db2.gz APVMJVATGNUKSA-LLVKDONJSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(C)(C)C1 ZINC000977513170 613380796 /nfs/dbraw/zinc/38/07/96/613380796.db2.gz MJQKKIUZZZANJB-QWRGUYRKSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(C)(C)C1 ZINC000977513170 613380797 /nfs/dbraw/zinc/38/07/97/613380797.db2.gz MJQKKIUZZZANJB-QWRGUYRKSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 ZINC000957926549 613381331 /nfs/dbraw/zinc/38/13/31/613381331.db2.gz NIUKVGBMUCMFCJ-KOLCDFICSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 ZINC000957926549 613381332 /nfs/dbraw/zinc/38/13/32/613381332.db2.gz NIUKVGBMUCMFCJ-KOLCDFICSA-N 1 2 285.731 0.450 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878265727 613397837 /nfs/dbraw/zinc/39/78/37/613397837.db2.gz QNKZMJWHZIMAHA-QWRGUYRKSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878265727 613397839 /nfs/dbraw/zinc/39/78/39/613397839.db2.gz QNKZMJWHZIMAHA-QWRGUYRKSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000879034858 613398756 /nfs/dbraw/zinc/39/87/56/613398756.db2.gz LXNXCXWEQIVAAX-GWCFXTLKSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000879034858 613398757 /nfs/dbraw/zinc/39/87/57/613398757.db2.gz LXNXCXWEQIVAAX-GWCFXTLKSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)C(=O)OC ZINC000905748302 613419027 /nfs/dbraw/zinc/41/90/27/613419027.db2.gz VORUEULTOFGSIM-LBPRGKRZSA-N 1 2 254.330 0.705 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000934321972 613447593 /nfs/dbraw/zinc/44/75/93/613447593.db2.gz WEACNAOEVHBFSX-UONOGXRCSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453000 613463464 /nfs/dbraw/zinc/46/34/64/613463464.db2.gz HWECWGULZSYSFZ-AGIUHOORSA-N 1 2 276.340 0.474 20 30 CCEDLO C=C[C@H](C)ONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911903908 613483679 /nfs/dbraw/zinc/48/36/79/613483679.db2.gz ZPCAEHQLNKHFHC-ZKQHCESOSA-N 1 2 254.330 0.887 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935015388 613489950 /nfs/dbraw/zinc/48/99/50/613489950.db2.gz JASICBZUDPBSQF-OLZOCXBDSA-N 1 2 251.374 0.705 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000941298491 613529796 /nfs/dbraw/zinc/52/97/96/613529796.db2.gz WFMCGDCRNKNWRP-HNNXBMFYSA-N 1 2 291.395 0.017 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC000949269255 613563113 /nfs/dbraw/zinc/56/31/13/613563113.db2.gz HWXLBFKINDAWCN-UHFFFAOYSA-N 1 2 274.368 0.439 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC000957346532 613567106 /nfs/dbraw/zinc/56/71/06/613567106.db2.gz RVQNOLJFWPAFMU-UHFFFAOYSA-N 1 2 289.335 0.577 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972248856 613570133 /nfs/dbraw/zinc/57/01/33/613570133.db2.gz SHEKYTRFHYQKAT-AWEZNQCLSA-N 1 2 282.409 0.676 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972248856 613570134 /nfs/dbraw/zinc/57/01/34/613570134.db2.gz SHEKYTRFHYQKAT-AWEZNQCLSA-N 1 2 282.409 0.676 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972368231 613570252 /nfs/dbraw/zinc/57/02/52/613570252.db2.gz RKZCZDFKLQPFJU-JSGCOSHPSA-N 1 2 298.333 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972368231 613570254 /nfs/dbraw/zinc/57/02/54/613570254.db2.gz RKZCZDFKLQPFJU-JSGCOSHPSA-N 1 2 298.333 0.968 20 30 CCEDLO C=CCCc1noc(C[C@H]([NH3+])C(=O)OCC=C)n1 ZINC000904122661 613592645 /nfs/dbraw/zinc/59/26/45/613592645.db2.gz BIFCZPSWSQSEJU-VIFPVBQESA-N 1 2 251.286 0.787 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043354 613594029 /nfs/dbraw/zinc/59/40/29/613594029.db2.gz CKZAPQWOYHQHLJ-WCQYABFASA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043354 613594030 /nfs/dbraw/zinc/59/40/30/613594030.db2.gz CKZAPQWOYHQHLJ-WCQYABFASA-N 1 2 289.383 0.506 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000949498895 613710739 /nfs/dbraw/zinc/71/07/39/613710739.db2.gz OMSBTNCWIYAXRZ-STQMWFEESA-N 1 2 268.357 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC000957983508 613712140 /nfs/dbraw/zinc/71/21/40/613712140.db2.gz NTSNXMNBOSKDCB-GFCCVEGCSA-N 1 2 262.357 0.854 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC000957503302 613712863 /nfs/dbraw/zinc/71/28/63/613712863.db2.gz FYMXJKSEKPPCSU-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nnn(C)c32)CC1 ZINC000957963960 613716952 /nfs/dbraw/zinc/71/69/52/613716952.db2.gz UOIFRACCYNTNIP-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3nccc3nc2C)CC1 ZINC000956960778 613718033 /nfs/dbraw/zinc/71/80/33/613718033.db2.gz GIHKWLIYIRUZDU-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC000957459907 613718493 /nfs/dbraw/zinc/71/84/93/613718493.db2.gz XWRVUXDPXJHYJB-UHFFFAOYSA-N 1 2 259.313 0.606 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972287858 613724175 /nfs/dbraw/zinc/72/41/75/613724175.db2.gz AVLGVJQHGPZYOT-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972287858 613724176 /nfs/dbraw/zinc/72/41/76/613724176.db2.gz AVLGVJQHGPZYOT-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972242268 613724645 /nfs/dbraw/zinc/72/46/45/613724645.db2.gz LREKDNIGQGILAC-HIFRSBDPSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972242268 613724648 /nfs/dbraw/zinc/72/46/48/613724648.db2.gz LREKDNIGQGILAC-HIFRSBDPSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000972302917 613727130 /nfs/dbraw/zinc/72/71/30/613727130.db2.gz ZJBLAWXQAJGDHF-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000972302917 613727132 /nfs/dbraw/zinc/72/71/32/613727132.db2.gz ZJBLAWXQAJGDHF-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321453 613728075 /nfs/dbraw/zinc/72/80/75/613728075.db2.gz CCOLSASDGMMTPO-PWSUYJOCSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321453 613728078 /nfs/dbraw/zinc/72/80/78/613728078.db2.gz CCOLSASDGMMTPO-PWSUYJOCSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230563 613774809 /nfs/dbraw/zinc/77/48/09/613774809.db2.gz FTRFZWBFUCJQER-WDEREUQCSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230563 613774810 /nfs/dbraw/zinc/77/48/10/613774810.db2.gz FTRFZWBFUCJQER-WDEREUQCSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cc(OC)cnc1F ZINC000877141085 613847074 /nfs/dbraw/zinc/84/70/74/613847074.db2.gz CVEXTZJGTXXFLV-UHFFFAOYSA-N 1 2 253.277 0.621 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845442639 613852707 /nfs/dbraw/zinc/85/27/07/613852707.db2.gz OBDFGRQLDDGBIW-MNOVXSKESA-N 1 2 260.297 0.845 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)CC(F)F ZINC000884116115 613877384 /nfs/dbraw/zinc/87/73/84/613877384.db2.gz MEYZKXGRPFRATA-VIFPVBQESA-N 1 2 278.299 0.937 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccon1 ZINC000884147474 613877470 /nfs/dbraw/zinc/87/74/70/613877470.db2.gz KRYITNZLCYWHIJ-JTQLQIEISA-N 1 2 267.285 0.080 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1COC ZINC000884435726 613877577 /nfs/dbraw/zinc/87/75/77/613877577.db2.gz IAQOBCGLISXRCU-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000884314078 613877814 /nfs/dbraw/zinc/87/78/14/613877814.db2.gz YNRBEKRGMZEFFY-WOPDTQHZSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCSCC1 ZINC000884108829 613878184 /nfs/dbraw/zinc/87/81/84/613878184.db2.gz NBGYEMMNHDOECC-NSHDSACASA-N 1 2 286.397 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@]1(C)CC1(F)F ZINC000884407664 613878263 /nfs/dbraw/zinc/87/82/63/613878263.db2.gz JCPAXIFKGGFJFV-CABZTGNLSA-N 1 2 290.310 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1nccs1 ZINC000884324133 613878409 /nfs/dbraw/zinc/87/84/09/613878409.db2.gz IIGBRJDIFCELRM-UWVGGRQHSA-N 1 2 297.380 0.809 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000884331875 613878425 /nfs/dbraw/zinc/87/84/25/613878425.db2.gz ZJEBFGWRMLOAGA-SRVKXCTJSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)cn1 ZINC000884313187 613878431 /nfs/dbraw/zinc/87/84/31/613878431.db2.gz YSIKYHWTBUVVQH-NSHDSACASA-N 1 2 297.742 0.798 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc21 ZINC000884095237 613878433 /nfs/dbraw/zinc/87/84/33/613878433.db2.gz JIORKLGAYXXYOD-OCCSQVGLSA-N 1 2 288.347 0.889 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccn1 ZINC000884177374 613878549 /nfs/dbraw/zinc/87/85/49/613878549.db2.gz IACQKHDQWVTSOE-QWRGUYRKSA-N 1 2 277.324 0.705 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000884319748 613878621 /nfs/dbraw/zinc/87/86/21/613878621.db2.gz CJSOBIOMDMVFBL-FRRDWIJNSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000884313446 613878643 /nfs/dbraw/zinc/87/86/43/613878643.db2.gz FCTGQMYHIKVGRO-AXFHLTTASA-N 1 2 270.329 0.117 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000810151788 613885841 /nfs/dbraw/zinc/88/58/41/613885841.db2.gz OXYUXCYHWQGFJD-UHFFFAOYSA-N 1 2 271.367 0.705 20 30 CCEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000123662431 613930390 /nfs/dbraw/zinc/93/03/90/613930390.db2.gz VUAKDORRGBXCAS-MNOVXSKESA-N 1 2 283.397 0.657 20 30 CCEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000123662431 613930394 /nfs/dbraw/zinc/93/03/94/613930394.db2.gz VUAKDORRGBXCAS-MNOVXSKESA-N 1 2 283.397 0.657 20 30 CCEDLO CC(C)[C@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865633780 614187352 /nfs/dbraw/zinc/18/73/52/614187352.db2.gz NLDLKMXBTXZMSG-MVZIDQBPSA-N 1 2 251.330 0.539 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643584 614327203 /nfs/dbraw/zinc/32/72/03/614327203.db2.gz WILAJBFIIDNXBV-MRXNPFEDSA-N 1 2 294.395 0.378 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643584 614327204 /nfs/dbraw/zinc/32/72/04/614327204.db2.gz WILAJBFIIDNXBV-MRXNPFEDSA-N 1 2 294.395 0.378 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531904 615021411 /nfs/dbraw/zinc/02/14/11/615021411.db2.gz YEBMFFZMIMSSBV-OCCSQVGLSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531904 615021414 /nfs/dbraw/zinc/02/14/14/615021414.db2.gz YEBMFFZMIMSSBV-OCCSQVGLSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H](C)C#N ZINC000853580932 615061292 /nfs/dbraw/zinc/06/12/92/615061292.db2.gz SOFBAUXBQQUWPG-VXGBXAGGSA-N 1 2 275.356 0.927 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902040 615064531 /nfs/dbraw/zinc/06/45/31/615064531.db2.gz GPDNMZSFJHEIQL-CHWSQXEVSA-N 1 2 295.383 0.832 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902040 615064532 /nfs/dbraw/zinc/06/45/32/615064532.db2.gz GPDNMZSFJHEIQL-CHWSQXEVSA-N 1 2 295.383 0.832 20 30 CCEDLO CCOCCN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801918602 615255243 /nfs/dbraw/zinc/25/52/43/615255243.db2.gz SHCHYLLOHTWLCP-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]C[C@](O)(C(N)=O)c1ccccc1 ZINC000852156114 615470609 /nfs/dbraw/zinc/47/06/09/615470609.db2.gz IVUNYJGGSTZBOG-GXTWGEPZSA-N 1 2 261.325 0.641 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000874711840 615568301 /nfs/dbraw/zinc/56/83/01/615568301.db2.gz NJMHFOCPRWIBTG-UKRRQHHQSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000874711840 615568302 /nfs/dbraw/zinc/56/83/02/615568302.db2.gz NJMHFOCPRWIBTG-UKRRQHHQSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@]1(C)NC(=O)N(N=Cc2c[nH+]c(C)n2C)C1=O ZINC000853273115 615991633 /nfs/dbraw/zinc/99/16/33/615991633.db2.gz AISJGNMKDRGYDE-LBPRGKRZSA-N 1 2 263.301 0.783 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1CO ZINC000913543473 616229652 /nfs/dbraw/zinc/22/96/52/616229652.db2.gz JBYBNIYDBDNQTP-NSHDSACASA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1CO ZINC000913543473 616229653 /nfs/dbraw/zinc/22/96/53/616229653.db2.gz JBYBNIYDBDNQTP-NSHDSACASA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@@H](CO)C1 ZINC000912739992 616230009 /nfs/dbraw/zinc/23/00/09/616230009.db2.gz MFBNAXNJYUFDOA-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@@H](CO)C1 ZINC000912739992 616230010 /nfs/dbraw/zinc/23/00/10/616230010.db2.gz MFBNAXNJYUFDOA-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1CO ZINC000913546644 616230216 /nfs/dbraw/zinc/23/02/16/616230216.db2.gz UVSDMNQXFLITCD-OAHLLOKOSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1CO ZINC000913546644 616230217 /nfs/dbraw/zinc/23/02/17/616230217.db2.gz UVSDMNQXFLITCD-OAHLLOKOSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(CC#N)c2)C[C@H]1CO ZINC000913552530 616230464 /nfs/dbraw/zinc/23/04/64/616230464.db2.gz PVQRHJWKXJVWGY-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(CC#N)c2)C[C@H]1CO ZINC000913552530 616230465 /nfs/dbraw/zinc/23/04/65/616230465.db2.gz PVQRHJWKXJVWGY-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)OCC(F)(F)F)C1 ZINC000866378065 616255642 /nfs/dbraw/zinc/25/56/42/616255642.db2.gz RKDVVSUKQROJBO-SSDOTTSWSA-N 1 2 277.264 0.226 20 30 CCEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)OCC(F)(F)F)C1 ZINC000866378065 616255643 /nfs/dbraw/zinc/25/56/43/616255643.db2.gz RKDVVSUKQROJBO-SSDOTTSWSA-N 1 2 277.264 0.226 20 30 CCEDLO COC(=O)C1(C#N)CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000848717683 616345260 /nfs/dbraw/zinc/34/52/60/616345260.db2.gz TXYUGXCFEGYGLI-UHFFFAOYSA-N 1 2 291.311 0.351 20 30 CCEDLO COC(=O)C1(C#N)CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000848717683 616345265 /nfs/dbraw/zinc/34/52/65/616345265.db2.gz TXYUGXCFEGYGLI-UHFFFAOYSA-N 1 2 291.311 0.351 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000921414678 616432417 /nfs/dbraw/zinc/43/24/17/616432417.db2.gz UNHRBKIKLTYTMW-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000921414678 616432419 /nfs/dbraw/zinc/43/24/19/616432419.db2.gz UNHRBKIKLTYTMW-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO COC1(C(F)(F)F)CN(C[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000899910835 616438566 /nfs/dbraw/zinc/43/85/66/616438566.db2.gz NXPSVBPKICVCTD-SNVBAGLBSA-N 1 2 295.305 0.456 20 30 CCEDLO COC1(C(F)(F)F)CN(C[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000899910835 616438569 /nfs/dbraw/zinc/43/85/69/616438569.db2.gz NXPSVBPKICVCTD-SNVBAGLBSA-N 1 2 295.305 0.456 20 30 CCEDLO COCCOCC(C)=NNCCCn1cc[nH+]c1 ZINC000848418456 616530670 /nfs/dbraw/zinc/53/06/70/616530670.db2.gz NKFRMTRNQPURHS-UHFFFAOYSA-N 1 2 254.334 0.902 20 30 CCEDLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCC(C#N)CC1 ZINC000930692593 616533278 /nfs/dbraw/zinc/53/32/78/616533278.db2.gz MJYLQJLKFKHCDN-GCZXYKMCSA-N 1 2 254.330 0.830 20 30 CCEDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840184012 616541119 /nfs/dbraw/zinc/54/11/19/616541119.db2.gz JAPKRFSBCFQDBF-HNNXBMFYSA-N 1 2 289.335 0.953 20 30 CCEDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840184012 616541122 /nfs/dbraw/zinc/54/11/22/616541122.db2.gz JAPKRFSBCFQDBF-HNNXBMFYSA-N 1 2 289.335 0.953 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000846618391 616542960 /nfs/dbraw/zinc/54/29/60/616542960.db2.gz YPXYWRGDAYBAFU-UHFFFAOYSA-N 1 2 296.411 0.843 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCO[C@@H](C)C#N)O1 ZINC000933203335 616958897 /nfs/dbraw/zinc/95/88/97/616958897.db2.gz YCTHLBDOWAPSCL-BYNSBNAKSA-N 1 2 298.383 0.810 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCO[C@@H](C)C#N)O1 ZINC000933203335 616958901 /nfs/dbraw/zinc/95/89/01/616958901.db2.gz YCTHLBDOWAPSCL-BYNSBNAKSA-N 1 2 298.383 0.810 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000807281457 616977785 /nfs/dbraw/zinc/97/77/85/616977785.db2.gz VTBHSYFSSSATGP-LLVKDONJSA-N 1 2 287.279 0.054 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000901051092 617011346 /nfs/dbraw/zinc/01/13/46/617011346.db2.gz ICQQELIAHNTDKS-TZMCWYRMSA-N 1 2 291.355 0.835 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000901051092 617011350 /nfs/dbraw/zinc/01/13/50/617011350.db2.gz ICQQELIAHNTDKS-TZMCWYRMSA-N 1 2 291.355 0.835 20 30 CCEDLO CO[C@H]1CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902609404 617093870 /nfs/dbraw/zinc/09/38/70/617093870.db2.gz QMULKXXRLGZEOF-ZDUSSCGKSA-N 1 2 294.351 0.529 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001018631734 623699633 /nfs/dbraw/zinc/69/96/33/623699633.db2.gz JSBBEOVGGMVZTK-ZJUUUORDSA-N 1 2 295.774 0.924 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(=O)[C@@H](C)C2)C1 ZINC000924038375 624505301 /nfs/dbraw/zinc/50/53/01/624505301.db2.gz RSMMRQUNYNPTCJ-QWHCGFSZSA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(=O)[C@@H](C)C2)C1 ZINC000924038375 624505302 /nfs/dbraw/zinc/50/53/02/624505302.db2.gz RSMMRQUNYNPTCJ-QWHCGFSZSA-N 1 2 277.368 0.705 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701276 624812753 /nfs/dbraw/zinc/81/27/53/624812753.db2.gz WYSIDBLUCCCJIL-QWHCGFSZSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302493 624917861 /nfs/dbraw/zinc/91/78/61/624917861.db2.gz JUTXJVXVGZMDSC-UTUOFQBUSA-N 1 2 273.340 0.206 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027666286 630842355 /nfs/dbraw/zinc/84/23/55/630842355.db2.gz CMLVXEUVGUUMCF-AWEZNQCLSA-N 1 2 289.383 0.799 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027666287 630842675 /nfs/dbraw/zinc/84/26/75/630842675.db2.gz CMLVXEUVGUUMCF-CQSZACIVSA-N 1 2 289.383 0.799 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409742 631275547 /nfs/dbraw/zinc/27/55/47/631275547.db2.gz IAKYBWLVFRAIBU-MNOVXSKESA-N 1 2 261.329 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010344119 631301528 /nfs/dbraw/zinc/30/15/28/631301528.db2.gz KOBRDOFPDBAZTO-WDEREUQCSA-N 1 2 258.749 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010344119 631301532 /nfs/dbraw/zinc/30/15/32/631301532.db2.gz KOBRDOFPDBAZTO-WDEREUQCSA-N 1 2 258.749 0.966 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000967975021 650005952 /nfs/dbraw/zinc/00/59/52/650005952.db2.gz JSBBEOVGGMVZTK-NXEZZACHSA-N 1 2 295.774 0.924 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000968627121 650023951 /nfs/dbraw/zinc/02/39/51/650023951.db2.gz OGWDZDZJNOMGOB-LLVKDONJSA-N 1 2 276.365 0.642 20 30 CCEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247995 632031951 /nfs/dbraw/zinc/03/19/51/632031951.db2.gz XXWFLKZKIBWQBV-WCQYABFASA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000895247995 632031956 /nfs/dbraw/zinc/03/19/56/632031956.db2.gz XXWFLKZKIBWQBV-WCQYABFASA-N 1 2 259.357 0.999 20 30 CCEDLO N#Cc1cnccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000895960765 632181326 /nfs/dbraw/zinc/18/13/26/632181326.db2.gz WLLRNKZZALSMDD-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986278237 632735633 /nfs/dbraw/zinc/73/56/33/632735633.db2.gz KXJNNKSARSAFNK-MFKMUULPSA-N 1 2 288.351 0.870 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)C2)cc1 ZINC001008148152 650103223 /nfs/dbraw/zinc/10/32/23/650103223.db2.gz LKMIMLSXISVYGN-OAHLLOKOSA-N 1 2 299.374 0.608 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001008148152 650103224 /nfs/dbraw/zinc/10/32/24/650103224.db2.gz LKMIMLSXISVYGN-OAHLLOKOSA-N 1 2 299.374 0.608 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008249862 650107366 /nfs/dbraw/zinc/10/73/66/650107366.db2.gz RPMZEGMKPIMMOJ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008249862 650107369 /nfs/dbraw/zinc/10/73/69/650107369.db2.gz RPMZEGMKPIMMOJ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008367350 650111114 /nfs/dbraw/zinc/11/11/14/650111114.db2.gz VJIVOSWENSGXQF-VHSXEESVSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008367350 650111115 /nfs/dbraw/zinc/11/11/15/650111115.db2.gz VJIVOSWENSGXQF-VHSXEESVSA-N 1 2 286.763 0.001 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008421400 650113490 /nfs/dbraw/zinc/11/34/90/650113490.db2.gz ISSXUKDPXCWBBD-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008421400 650113492 /nfs/dbraw/zinc/11/34/92/650113492.db2.gz ISSXUKDPXCWBBD-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[nH]1 ZINC000899060401 633728245 /nfs/dbraw/zinc/72/82/45/633728245.db2.gz JUMGJIDBZMCEKF-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[nH]1 ZINC000899060401 633728250 /nfs/dbraw/zinc/72/82/50/633728250.db2.gz JUMGJIDBZMCEKF-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]2C(=O)OCC)nn1 ZINC000900633839 634059958 /nfs/dbraw/zinc/05/99/58/634059958.db2.gz UQFZYKXHMMVKBR-WCQYABFASA-N 1 2 276.340 0.590 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)C1=O ZINC001009818264 650162599 /nfs/dbraw/zinc/16/25/99/650162599.db2.gz XZGZWRMKHDBDQL-ZJUUUORDSA-N 1 2 287.310 0.229 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(F)F)C2)C1=O ZINC001009818264 650162601 /nfs/dbraw/zinc/16/26/01/650162601.db2.gz XZGZWRMKHDBDQL-ZJUUUORDSA-N 1 2 287.310 0.229 20 30 CCEDLO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000225311564 636942887 /nfs/dbraw/zinc/94/28/87/636942887.db2.gz DGSVLLRQKVDNAG-QWHCGFSZSA-N 1 2 285.413 0.894 20 30 CCEDLO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000225311564 636942895 /nfs/dbraw/zinc/94/28/95/636942895.db2.gz DGSVLLRQKVDNAG-QWHCGFSZSA-N 1 2 285.413 0.894 20 30 CCEDLO S=C(NC[C@H]1CCCO1)NN=C1C[NH+]2CCC1CC2 ZINC000915047793 637723746 /nfs/dbraw/zinc/72/37/46/637723746.db2.gz BFFIVNGRTLTONW-LLVKDONJSA-N 1 2 282.413 0.711 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939407146 638360915 /nfs/dbraw/zinc/36/09/15/638360915.db2.gz ZIKUPLHUWFUBGX-JQWIXIFHSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809331 638795689 /nfs/dbraw/zinc/79/56/89/638795689.db2.gz SRIXXXZURMRHMD-NWDGAFQWSA-N 1 2 261.329 0.233 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014468986 650454844 /nfs/dbraw/zinc/45/48/44/650454844.db2.gz KTTISAGDAKFLPT-VIFPVBQESA-N 1 2 265.338 0.589 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014468986 650454846 /nfs/dbraw/zinc/45/48/46/650454846.db2.gz KTTISAGDAKFLPT-VIFPVBQESA-N 1 2 265.338 0.589 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000159705 639046801 /nfs/dbraw/zinc/04/68/01/639046801.db2.gz NKMFUJULNFDCKM-NEPJUHHUSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014618705 650468677 /nfs/dbraw/zinc/46/86/77/650468677.db2.gz SBZCQKARQMMNPX-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014618705 650468682 /nfs/dbraw/zinc/46/86/82/650468682.db2.gz SBZCQKARQMMNPX-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001003577200 639572313 /nfs/dbraw/zinc/57/23/13/639572313.db2.gz JIIVEWFOHILTSN-UHFFFAOYSA-N 1 2 264.304 0.766 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001015076651 650526342 /nfs/dbraw/zinc/52/63/42/650526342.db2.gz IAFOABOPIXPRJK-JTQLQIEISA-N 1 2 260.341 0.889 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001015076651 650526344 /nfs/dbraw/zinc/52/63/44/650526344.db2.gz IAFOABOPIXPRJK-JTQLQIEISA-N 1 2 260.341 0.889 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)cn1 ZINC000839591253 640343816 /nfs/dbraw/zinc/34/38/16/640343816.db2.gz WCOYRUZDWYZXQD-AWEZNQCLSA-N 1 2 285.351 0.354 20 30 CCEDLO CCCC[N@H+](C[C@H](O)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000809576422 640899571 /nfs/dbraw/zinc/89/95/71/640899571.db2.gz VJSODYYFBQLRPE-NWDGAFQWSA-N 1 2 274.386 0.550 20 30 CCEDLO CCCC[N@@H+](C[C@H](O)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000809576422 640899573 /nfs/dbraw/zinc/89/95/73/640899573.db2.gz VJSODYYFBQLRPE-NWDGAFQWSA-N 1 2 274.386 0.550 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001015820367 650634516 /nfs/dbraw/zinc/63/45/16/650634516.db2.gz GFLJJIGHVAGINM-LLVKDONJSA-N 1 2 281.335 0.628 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001015820367 650634517 /nfs/dbraw/zinc/63/45/17/650634517.db2.gz GFLJJIGHVAGINM-LLVKDONJSA-N 1 2 281.335 0.628 20 30 CCEDLO N#CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCSCC1 ZINC000821385969 641592940 /nfs/dbraw/zinc/59/29/40/641592940.db2.gz QLBLREGXBKMOIE-JTQLQIEISA-N 1 2 276.365 0.961 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000824278200 641814936 /nfs/dbraw/zinc/81/49/36/641814936.db2.gz BKQVZQLMKJWUPF-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000824278200 641814938 /nfs/dbraw/zinc/81/49/38/641814938.db2.gz BKQVZQLMKJWUPF-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016230898 650700969 /nfs/dbraw/zinc/70/09/69/650700969.db2.gz VVCBDNHTYZIGGT-LLVKDONJSA-N 1 2 271.324 0.948 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016230898 650700970 /nfs/dbraw/zinc/70/09/70/650700970.db2.gz VVCBDNHTYZIGGT-LLVKDONJSA-N 1 2 271.324 0.948 20 30 CCEDLO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)CCO ZINC000121402970 642658181 /nfs/dbraw/zinc/65/81/81/642658181.db2.gz FVDUEKPRXVZEQA-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)C(C)C ZINC001017524654 650808820 /nfs/dbraw/zinc/80/88/20/650808820.db2.gz QJANVVYARFYDFO-HZSPNIEDSA-N 1 2 264.369 0.702 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)C(C)C ZINC001017524654 650808824 /nfs/dbraw/zinc/80/88/24/650808824.db2.gz QJANVVYARFYDFO-HZSPNIEDSA-N 1 2 264.369 0.702 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017547732 650809934 /nfs/dbraw/zinc/80/99/34/650809934.db2.gz JOQOMYDXPPFOPZ-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017547732 650809937 /nfs/dbraw/zinc/80/99/37/650809937.db2.gz JOQOMYDXPPFOPZ-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001017836738 650826074 /nfs/dbraw/zinc/82/60/74/650826074.db2.gz DVNSINQBJFJVOD-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001017836738 650826077 /nfs/dbraw/zinc/82/60/77/650826077.db2.gz DVNSINQBJFJVOD-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCOC1 ZINC001017847886 650826146 /nfs/dbraw/zinc/82/61/46/650826146.db2.gz UZNZBLPEJZAADA-SCRDCRAPSA-N 1 2 268.332 0.976 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCOC1 ZINC001017847886 650826147 /nfs/dbraw/zinc/82/61/47/650826147.db2.gz UZNZBLPEJZAADA-SCRDCRAPSA-N 1 2 268.332 0.976 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001018169883 650847019 /nfs/dbraw/zinc/84/70/19/650847019.db2.gz OJWACYDYZZCWKT-UPJWGTAASA-N 1 2 299.378 0.218 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001018169883 650847020 /nfs/dbraw/zinc/84/70/20/650847020.db2.gz OJWACYDYZZCWKT-UPJWGTAASA-N 1 2 299.378 0.218 20 30 CCEDLO COc1ncnc(N)c1C=NNCCCn1cc[nH+]c1 ZINC000848418025 643634074 /nfs/dbraw/zinc/63/40/74/643634074.db2.gz IRLRUWHESOWTHS-UHFFFAOYSA-N 1 2 275.316 0.278 20 30 CCEDLO N#Cc1cc(F)ccc1C[NH2+]C1(C(N)=O)CCOCC1 ZINC000852493978 643972060 /nfs/dbraw/zinc/97/20/60/643972060.db2.gz WETYETRISBZMSS-UHFFFAOYSA-N 1 2 277.299 0.821 20 30 CCEDLO NC(=O)c1ccc(N=NCc2c[nH+]c3n2CCC3)nn1 ZINC000853316766 644097844 /nfs/dbraw/zinc/09/78/44/644097844.db2.gz CDSBBNREZZXKHI-UHFFFAOYSA-N 1 2 271.284 0.164 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1=O ZINC000853523365 644115804 /nfs/dbraw/zinc/11/58/04/644115804.db2.gz UTHXHYMTGGTBNG-GFCCVEGCSA-N 1 2 284.323 0.291 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1=O ZINC000853523365 644115805 /nfs/dbraw/zinc/11/58/05/644115805.db2.gz UTHXHYMTGGTBNG-GFCCVEGCSA-N 1 2 284.323 0.291 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C#CC(C)C)C2 ZINC000854414419 644201316 /nfs/dbraw/zinc/20/13/16/644201316.db2.gz ZORHCZVWULQEDX-ZDUSSCGKSA-N 1 2 289.379 0.817 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](NCC#N)C3)ccn12 ZINC001018846158 650915465 /nfs/dbraw/zinc/91/54/65/650915465.db2.gz AMNYUAWYYGZFKL-ZDUSSCGKSA-N 1 2 283.335 0.970 20 30 CCEDLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000860250356 644783563 /nfs/dbraw/zinc/78/35/63/644783563.db2.gz XHGOXTSEBQNUJE-LBPRGKRZSA-N 1 2 289.335 0.760 20 30 CCEDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000860250356 644783571 /nfs/dbraw/zinc/78/35/71/644783571.db2.gz XHGOXTSEBQNUJE-LBPRGKRZSA-N 1 2 289.335 0.760 20 30 CCEDLO N#CCCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870058416 645955375 /nfs/dbraw/zinc/95/53/75/645955375.db2.gz LWUZVVXFVJXQCP-AWEZNQCLSA-N 1 2 295.383 0.630 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N)cn3)CC2)cn1 ZINC000873227034 646362995 /nfs/dbraw/zinc/36/29/95/646362995.db2.gz GBDWOXQELVBMQM-UHFFFAOYSA-N 1 2 295.350 0.648 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCN2CCOC2=O)nn1 ZINC000881273591 647293264 /nfs/dbraw/zinc/29/32/64/647293264.db2.gz MYSVATJHNANLTF-UHFFFAOYSA-N 1 2 277.328 0.233 20 30 CCEDLO C#C[C@@H](CCC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882133112 647374681 /nfs/dbraw/zinc/37/46/81/647374681.db2.gz DWRHPXAVEFDCHW-NSHDSACASA-N 1 2 255.343 0.604 20 30 CCEDLO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)CCO ZINC000136068434 647867485 /nfs/dbraw/zinc/86/74/85/647867485.db2.gz LHXIZFSGSVHOLA-UWVGGRQHSA-N 1 2 257.334 0.447 20 30 CCEDLO C[C@H](C#N)CN(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000929473873 648742195 /nfs/dbraw/zinc/74/21/95/648742195.db2.gz GYVINFKCIFVKCC-MCIONIFRSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@H](C#N)CN(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000929473873 648742200 /nfs/dbraw/zinc/74/22/00/648742200.db2.gz GYVINFKCIFVKCC-MCIONIFRSA-N 1 2 293.415 0.674 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CN=C(c2cnn(C)c2)O1)C1CSC1 ZINC000930960090 648929524 /nfs/dbraw/zinc/92/95/24/648929524.db2.gz HUPQCMNQOXTYEW-CYBMUJFWSA-N 1 2 290.392 0.616 20 30 CCEDLO C#CC[N@H+](C[C@H]1CN=C(c2cnn(C)c2)O1)C1CSC1 ZINC000930960090 648929527 /nfs/dbraw/zinc/92/95/27/648929527.db2.gz HUPQCMNQOXTYEW-CYBMUJFWSA-N 1 2 290.392 0.616 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1)C1CC1 ZINC000933905028 649147562 /nfs/dbraw/zinc/14/75/62/649147562.db2.gz AUIOQGNRWKSNEI-DOMZBBRYSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1)C1CC1 ZINC000933905028 649147565 /nfs/dbraw/zinc/14/75/65/649147565.db2.gz AUIOQGNRWKSNEI-DOMZBBRYSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948093279 649362975 /nfs/dbraw/zinc/36/29/75/649362975.db2.gz KXVVADTUBSBLSJ-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC[NH+]1CCN(c2ncnc3onc(C)c32)CC1 ZINC000195507506 649602154 /nfs/dbraw/zinc/60/21/54/649602154.db2.gz XTADXVVSWFOVGB-UHFFFAOYSA-N 1 2 257.297 0.681 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(C)cc3c2C(=O)NC3=O)CC1 ZINC001165032288 721869939 /nfs/dbraw/zinc/86/99/39/721869939.db2.gz MZSLTCDNHYCPRL-UHFFFAOYSA-N 1 2 286.335 0.582 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266255131 790336357 /nfs/dbraw/zinc/33/63/57/790336357.db2.gz HREBQXJHBQXTDE-CYBMUJFWSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266255131 790336374 /nfs/dbraw/zinc/33/63/74/790336374.db2.gz HREBQXJHBQXTDE-CYBMUJFWSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)c2[nH]c(C)cc2C)CC1 ZINC001266288096 790417984 /nfs/dbraw/zinc/41/79/84/790417984.db2.gz RUCWONIRGNTKSW-UHFFFAOYSA-N 1 2 288.395 0.612 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)C1 ZINC001266336884 790535054 /nfs/dbraw/zinc/53/50/54/790535054.db2.gz XYWMQQSRTAYYEG-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C1 ZINC001266336884 790535062 /nfs/dbraw/zinc/53/50/62/790535062.db2.gz XYWMQQSRTAYYEG-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001266345890 790555245 /nfs/dbraw/zinc/55/52/45/790555245.db2.gz ZRTCPJQFOMWOJH-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001266345890 790555253 /nfs/dbraw/zinc/55/52/53/790555253.db2.gz ZRTCPJQFOMWOJH-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001039081122 790580609 /nfs/dbraw/zinc/58/06/09/790580609.db2.gz FVXJRESPWVUZBA-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001039081122 790580613 /nfs/dbraw/zinc/58/06/13/790580613.db2.gz FVXJRESPWVUZBA-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001230824379 805673712 /nfs/dbraw/zinc/67/37/12/805673712.db2.gz ZDPZEOGHTUJPHR-CHWSQXEVSA-N 1 2 260.341 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001230824379 805673714 /nfs/dbraw/zinc/67/37/14/805673714.db2.gz ZDPZEOGHTUJPHR-CHWSQXEVSA-N 1 2 260.341 0.610 20 30 CCEDLO CCO[C@@H](CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231025100 805712095 /nfs/dbraw/zinc/71/20/95/805712095.db2.gz HWFCKVKBSIGXNB-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO CCO[C@@H](CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231025100 805712097 /nfs/dbraw/zinc/71/20/97/805712097.db2.gz HWFCKVKBSIGXNB-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cocn1 ZINC001231171233 805743366 /nfs/dbraw/zinc/74/33/66/805743366.db2.gz ZVCXCBHNLNUACM-LBPRGKRZSA-N 1 2 277.324 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cocn1 ZINC001231171233 805743369 /nfs/dbraw/zinc/74/33/69/805743369.db2.gz ZVCXCBHNLNUACM-LBPRGKRZSA-N 1 2 277.324 0.471 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001231410567 805797396 /nfs/dbraw/zinc/79/73/96/805797396.db2.gz JZKFRLMNJGZYAG-OCCSQVGLSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001231410567 805797404 /nfs/dbraw/zinc/79/74/04/805797404.db2.gz JZKFRLMNJGZYAG-OCCSQVGLSA-N 1 2 293.411 0.867 20 30 CCEDLO CN(C(=O)CC#Cc1ccccc1)C1C[NH+](CCO)C1 ZINC001277700024 805968979 /nfs/dbraw/zinc/96/89/79/805968979.db2.gz ZIEZMKQKDYSZBK-UHFFFAOYSA-N 1 2 272.348 0.563 20 30 CCEDLO CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266832140 791277250 /nfs/dbraw/zinc/27/72/50/791277250.db2.gz IFJCQDPCCNUASV-CYBMUJFWSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266832140 791277261 /nfs/dbraw/zinc/27/72/61/791277261.db2.gz IFJCQDPCCNUASV-CYBMUJFWSA-N 1 2 294.399 0.787 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001266934387 791369311 /nfs/dbraw/zinc/36/93/11/791369311.db2.gz VUJGHZWSNWFFAV-SNVBAGLBSA-N 1 2 264.329 0.776 20 30 CCEDLO COC(=O)[C@H](CS)Nc1ccn2cc(N)[nH+]c2c1 ZINC001167621849 791642993 /nfs/dbraw/zinc/64/29/93/791642993.db2.gz SFGWYOGQTNKDAT-QMMMGPOBSA-N 1 2 266.326 0.800 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](O)C(C)C ZINC001234066811 806175764 /nfs/dbraw/zinc/17/57/64/806175764.db2.gz CFERSZWOGVRNQX-UONOGXRCSA-N 1 2 282.384 0.186 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](O)C(C)C ZINC001234066811 806175771 /nfs/dbraw/zinc/17/57/71/806175771.db2.gz CFERSZWOGVRNQX-UONOGXRCSA-N 1 2 282.384 0.186 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234119401 806184977 /nfs/dbraw/zinc/18/49/77/806184977.db2.gz OZPHAQZXMVYOOP-CYBMUJFWSA-N 1 2 279.384 0.267 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234119401 806184982 /nfs/dbraw/zinc/18/49/82/806184982.db2.gz OZPHAQZXMVYOOP-CYBMUJFWSA-N 1 2 279.384 0.267 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196848 806202092 /nfs/dbraw/zinc/20/20/92/806202092.db2.gz WBHOYGSPCBHUNN-KBPBESRZSA-N 1 2 289.379 0.163 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196848 806202101 /nfs/dbraw/zinc/20/21/01/806202101.db2.gz WBHOYGSPCBHUNN-KBPBESRZSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(N)=O)CCC1 ZINC001235210755 806387485 /nfs/dbraw/zinc/38/74/85/806387485.db2.gz WHKWWZHJNMRONH-STQMWFEESA-N 1 2 291.395 0.587 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CCC1 ZINC001235210755 806387497 /nfs/dbraw/zinc/38/74/97/806387497.db2.gz WHKWWZHJNMRONH-STQMWFEESA-N 1 2 291.395 0.587 20 30 CCEDLO Cn1ncnc1C(=O)N1CC2(C1)CCC[N@H+](CCC#N)C2 ZINC001277936387 806402837 /nfs/dbraw/zinc/40/28/37/806402837.db2.gz GPIQUGTXZRGUHC-UHFFFAOYSA-N 1 2 288.355 0.267 20 30 CCEDLO Cn1ncnc1C(=O)N1CC2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277936387 806402840 /nfs/dbraw/zinc/40/28/40/806402840.db2.gz GPIQUGTXZRGUHC-UHFFFAOYSA-N 1 2 288.355 0.267 20 30 CCEDLO COCCOCN1CC2(C1)CCC[N@H+](CCC#N)C2 ZINC001277939505 806411904 /nfs/dbraw/zinc/41/19/04/806411904.db2.gz VINOCOYFQXIHRM-UHFFFAOYSA-N 1 2 267.373 0.918 20 30 CCEDLO COCCOCN1CC2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277939505 806411909 /nfs/dbraw/zinc/41/19/09/806411909.db2.gz VINOCOYFQXIHRM-UHFFFAOYSA-N 1 2 267.373 0.918 20 30 CCEDLO N#CCCN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001277939377 806412128 /nfs/dbraw/zinc/41/21/28/806412128.db2.gz QDBJPQMWEMRBBA-UHFFFAOYSA-N 1 2 258.325 0.818 20 30 CCEDLO CN(C)S(=O)(=O)N1CC2(C1)CC[NH+](CCC#N)CC2 ZINC001277941551 806414751 /nfs/dbraw/zinc/41/47/51/806414751.db2.gz QEQMVVUDKCEBTE-UHFFFAOYSA-N 1 2 286.401 0.104 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(OC)C1 ZINC001235636928 806478622 /nfs/dbraw/zinc/47/86/22/806478622.db2.gz ZEUPYZKJCHXCPQ-SHARSMKWSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(OC)C1 ZINC001235636928 806478625 /nfs/dbraw/zinc/47/86/25/806478625.db2.gz ZEUPYZKJCHXCPQ-SHARSMKWSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2nonc2C)CC1 ZINC001278107446 806677245 /nfs/dbraw/zinc/67/72/45/806677245.db2.gz PQLRXYUYBHJRMF-UHFFFAOYSA-N 1 2 276.340 0.824 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)O)n2CC)CC1 ZINC001121846653 799076597 /nfs/dbraw/zinc/07/65/97/799076597.db2.gz XYPQVNFPUZJMFU-NSHDSACASA-N 1 2 263.345 0.107 20 30 CCEDLO CC[NH+]1CC2(C1)CC[C@H](C(=O)NC1(C#N)CCC1)O2 ZINC001278160975 806733832 /nfs/dbraw/zinc/73/38/32/806733832.db2.gz RTSBYHXXEZVFSV-LLVKDONJSA-N 1 2 263.341 0.802 20 30 CCEDLO CC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)N1CC(CC#N)C1 ZINC001278168184 806737938 /nfs/dbraw/zinc/73/79/38/806737938.db2.gz OJFCPLWYONBOPV-AWEZNQCLSA-N 1 2 287.367 0.849 20 30 CCEDLO CC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)N1CC(CC#N)C1 ZINC001278168184 806737943 /nfs/dbraw/zinc/73/79/43/806737943.db2.gz OJFCPLWYONBOPV-AWEZNQCLSA-N 1 2 287.367 0.849 20 30 CCEDLO C=CCOCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001123544737 799430364 /nfs/dbraw/zinc/43/03/64/799430364.db2.gz PFXLHEAVUAOLLK-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CC[C@@H](NC(=O)CCc1[nH+]ccn1C)C(=O)OCC ZINC001123687751 799454444 /nfs/dbraw/zinc/45/44/44/799454444.db2.gz RTXKTKLOSQPEQT-LLVKDONJSA-N 1 2 279.340 0.977 20 30 CCEDLO C[C@H]([NH2+]CCNC(=O)CSCC#N)c1csnn1 ZINC001123792023 799475041 /nfs/dbraw/zinc/47/50/41/799475041.db2.gz DZUBBUFFANQWEJ-QMMMGPOBSA-N 1 2 285.398 0.562 20 30 CCEDLO C#CCOCCN(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001124133428 799565184 /nfs/dbraw/zinc/56/51/84/799565184.db2.gz RZOCLZWXWHANOP-OWBHPGMISA-N 1 2 280.368 0.373 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001124488765 799608252 /nfs/dbraw/zinc/60/82/52/799608252.db2.gz UFYHPKXMZSTXBA-LLVKDONJSA-N 1 2 296.371 0.819 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001124890079 799644905 /nfs/dbraw/zinc/64/49/05/799644905.db2.gz WMMXQDHCFBBQQH-SECBINFHSA-N 1 2 279.344 0.733 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc3c(c2)OCCO3)CC1 ZINC001139736504 799836382 /nfs/dbraw/zinc/83/63/82/799836382.db2.gz JKKIUHUEMVKUFR-UHFFFAOYSA-N 1 2 273.336 0.604 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001140627376 799926468 /nfs/dbraw/zinc/92/64/68/799926468.db2.gz UMBHZJICXOWGMT-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001151358370 800419027 /nfs/dbraw/zinc/41/90/27/800419027.db2.gz FMENTEDXCJGIPI-AGIUHOORSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001151358370 800419031 /nfs/dbraw/zinc/41/90/31/800419031.db2.gz FMENTEDXCJGIPI-AGIUHOORSA-N 1 2 268.357 0.103 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001153081218 800593384 /nfs/dbraw/zinc/59/33/84/800593384.db2.gz OGSRZMONAGQMFZ-UHFFFAOYSA-N 1 2 264.329 0.275 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154079182 800717467 /nfs/dbraw/zinc/71/74/67/800717467.db2.gz VFZGKNQEHWDDOW-CHWSQXEVSA-N 1 2 289.383 0.796 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCCc1c[nH+]cn1C ZINC001154131036 800725848 /nfs/dbraw/zinc/72/58/48/800725848.db2.gz IJSMXYSWILXZEQ-UHFFFAOYSA-N 1 2 265.313 0.588 20 30 CCEDLO COc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001155196086 800927573 /nfs/dbraw/zinc/92/75/73/800927573.db2.gz KNNBLNAFZNAPHP-SNVBAGLBSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155196086 800927577 /nfs/dbraw/zinc/92/75/77/800927577.db2.gz KNNBLNAFZNAPHP-SNVBAGLBSA-N 1 2 262.313 0.704 20 30 CCEDLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c(/C=N/O)c1 ZINC001155198075 800930009 /nfs/dbraw/zinc/93/00/09/800930009.db2.gz WGTMXKMZSKTQIC-DYPRAHPUSA-N 1 2 264.329 0.941 20 30 CCEDLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c(/C=N/O)c1 ZINC001155198075 800930012 /nfs/dbraw/zinc/93/00/12/800930012.db2.gz WGTMXKMZSKTQIC-DYPRAHPUSA-N 1 2 264.329 0.941 20 30 CCEDLO C#CCOCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897776 801257782 /nfs/dbraw/zinc/25/77/82/801257782.db2.gz TXOCOBBBHUHYOG-UHFFFAOYSA-N 1 2 261.325 0.945 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979432 801278315 /nfs/dbraw/zinc/27/83/15/801278315.db2.gz OOFZIEIJKUYIEM-JTQLQIEISA-N 1 2 287.279 0.330 20 30 CCEDLO CCc1nc(C[NH2+]CCCNC(=O)C#CC(C)C)no1 ZINC001157632602 801442093 /nfs/dbraw/zinc/44/20/93/801442093.db2.gz GXEPOSDXWBRSSY-UHFFFAOYSA-N 1 2 278.356 0.887 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc(Cl)ncc1C#N ZINC001157770395 801477505 /nfs/dbraw/zinc/47/75/05/801477505.db2.gz IZGODHDWYWSSJF-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc(Cl)ncc1C#N ZINC001157770395 801477508 /nfs/dbraw/zinc/47/75/08/801477508.db2.gz IZGODHDWYWSSJF-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3[nH]c(C#N)cc3n2)C[NH2+]1 ZINC001158256796 801607556 /nfs/dbraw/zinc/60/75/56/801607556.db2.gz STLSWHCCQCDVQU-SKDRFNHKSA-N 1 2 285.307 0.750 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001158915141 801721729 /nfs/dbraw/zinc/72/17/29/801721729.db2.gz OCXOWJBXTDXNOL-SNVBAGLBSA-N 1 2 277.328 0.940 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(C#N)c1F ZINC001161949903 802255278 /nfs/dbraw/zinc/25/52/78/802255278.db2.gz FIBKTASLSRLJAU-MRVPVSSYSA-N 1 2 252.249 0.395 20 30 CCEDLO COc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ncc1C#N ZINC001162848705 802427454 /nfs/dbraw/zinc/42/74/54/802427454.db2.gz AGROPTYQIFOSKF-VIFPVBQESA-N 1 2 293.327 0.438 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001264971661 809683038 /nfs/dbraw/zinc/68/30/38/809683038.db2.gz ZMMLMNMHOFMYOC-SECBINFHSA-N 1 2 265.317 0.476 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001264971661 809683041 /nfs/dbraw/zinc/68/30/41/809683041.db2.gz ZMMLMNMHOFMYOC-SECBINFHSA-N 1 2 265.317 0.476 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001265275684 809740957 /nfs/dbraw/zinc/74/09/57/809740957.db2.gz SCTBHLBUNLEUTF-NSHDSACASA-N 1 2 295.339 0.576 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001265275684 809740963 /nfs/dbraw/zinc/74/09/63/809740963.db2.gz SCTBHLBUNLEUTF-NSHDSACASA-N 1 2 295.339 0.576 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265280788 809745596 /nfs/dbraw/zinc/74/55/96/809745596.db2.gz FYVPTCPFLWSGAN-OBIHZWKSSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265280788 809745599 /nfs/dbraw/zinc/74/55/99/809745599.db2.gz FYVPTCPFLWSGAN-OBIHZWKSSA-N 1 2 278.356 0.173 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCCNC(=O)C3)c12 ZINC001164279714 802704132 /nfs/dbraw/zinc/70/41/32/802704132.db2.gz QCFVEHQVLIOIKJ-UHFFFAOYSA-N 1 2 255.281 0.761 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164323864 802723195 /nfs/dbraw/zinc/72/31/95/802723195.db2.gz MGLJZODRBMZJEJ-LLVKDONJSA-N 1 2 280.376 0.408 20 30 CCEDLO N#Cc1nc(Cl)c(N2CC[NH2+]CC(F)(F)C2)nc1C#N ZINC001164492698 802748661 /nfs/dbraw/zinc/74/86/61/802748661.db2.gz FTHHJTHXDHFPIV-UHFFFAOYSA-N 1 2 298.684 0.918 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1c[nH]c2ncnc(Cl)c12 ZINC001164641520 802774377 /nfs/dbraw/zinc/77/43/77/802774377.db2.gz MOYHAYPDRLCMPC-SSDOTTSWSA-N 1 2 262.704 0.865 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(Cl)c(F)cc1N ZINC001164653026 802776131 /nfs/dbraw/zinc/77/61/31/802776131.db2.gz ZEMZODJUMVDMEM-ZCFIWIBFSA-N 1 2 255.684 0.758 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001267748281 811737949 /nfs/dbraw/zinc/73/79/49/811737949.db2.gz TWFVZHVUFQTTOM-ZIAGYGMSSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001267748281 811737952 /nfs/dbraw/zinc/73/79/52/811737952.db2.gz TWFVZHVUFQTTOM-ZIAGYGMSSA-N 1 2 291.395 0.529 20 30 CCEDLO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)nc1 ZINC001206513375 803256484 /nfs/dbraw/zinc/25/64/84/803256484.db2.gz FWXPBLBTKWCKTL-LLVKDONJSA-N 1 2 279.296 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206898921 803302076 /nfs/dbraw/zinc/30/20/76/803302076.db2.gz MBPIPTBBLAQOMZ-FKTZTGRPSA-N 1 2 288.779 0.232 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206898921 803302083 /nfs/dbraw/zinc/30/20/83/803302083.db2.gz MBPIPTBBLAQOMZ-FKTZTGRPSA-N 1 2 288.779 0.232 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206909134 803304756 /nfs/dbraw/zinc/30/47/56/803304756.db2.gz WSDQWQCTQLOSHC-YNEHKIRRSA-N 1 2 294.399 0.499 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206909134 803304763 /nfs/dbraw/zinc/30/47/63/803304763.db2.gz WSDQWQCTQLOSHC-YNEHKIRRSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[C@@H](CO)[NH2+]Cc1snc(OC)c1C(=O)OC ZINC001207382135 803390696 /nfs/dbraw/zinc/39/06/96/803390696.db2.gz QILJSDIASZQZSC-QMMMGPOBSA-N 1 2 284.337 0.412 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCOC ZINC001209051070 803570533 /nfs/dbraw/zinc/57/05/33/803570533.db2.gz YTCOMRAEEUQVEY-CYBMUJFWSA-N 1 2 280.372 0.953 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCOC ZINC001209051070 803570535 /nfs/dbraw/zinc/57/05/35/803570535.db2.gz YTCOMRAEEUQVEY-CYBMUJFWSA-N 1 2 280.372 0.953 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCOC ZINC001209051071 803571413 /nfs/dbraw/zinc/57/14/13/803571413.db2.gz YTCOMRAEEUQVEY-ZDUSSCGKSA-N 1 2 280.372 0.953 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCOC ZINC001209051071 803571417 /nfs/dbraw/zinc/57/14/17/803571417.db2.gz YTCOMRAEEUQVEY-ZDUSSCGKSA-N 1 2 280.372 0.953 20 30 CCEDLO COc1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001168265493 814951254 /nfs/dbraw/zinc/95/12/54/814951254.db2.gz ZNQHEPHMFWXNEV-KGLIPLIRSA-N 1 2 257.337 0.960 20 30 CCEDLO O=C1C=C2C[N@@H+](CCN3CCOCC3)CCC2S1 ZINC001209289323 803587089 /nfs/dbraw/zinc/58/70/89/803587089.db2.gz ARAWBLRKOGMFID-LBPRGKRZSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@H+](CCN3CCOCC3)CCC2S1 ZINC001209289323 803587094 /nfs/dbraw/zinc/58/70/94/803587094.db2.gz ARAWBLRKOGMFID-LBPRGKRZSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@@H+](CCN3CCOCC3)CC[C@@H]2S1 ZINC001209289323 803587096 /nfs/dbraw/zinc/58/70/96/803587096.db2.gz ARAWBLRKOGMFID-LBPRGKRZSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@H+](CCN3CCOCC3)CC[C@@H]2S1 ZINC001209289323 803587101 /nfs/dbraw/zinc/58/71/01/803587101.db2.gz ARAWBLRKOGMFID-LBPRGKRZSA-N 1 2 268.382 0.593 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001209327902 803595841 /nfs/dbraw/zinc/59/58/41/803595841.db2.gz SJMSNHZBCDSNJS-DMDPSCGWSA-N 1 2 275.356 0.548 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001209327902 803595846 /nfs/dbraw/zinc/59/58/46/803595846.db2.gz SJMSNHZBCDSNJS-DMDPSCGWSA-N 1 2 275.356 0.548 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001083441002 814955054 /nfs/dbraw/zinc/95/50/54/814955054.db2.gz RXXWZPJCNKCNSR-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001083441002 814955059 /nfs/dbraw/zinc/95/50/59/814955059.db2.gz RXXWZPJCNKCNSR-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216754 804240871 /nfs/dbraw/zinc/24/08/71/804240871.db2.gz WDAMHTSRTSCFFJ-MXWKQRLJSA-N 1 2 289.376 0.153 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216754 804240879 /nfs/dbraw/zinc/24/08/79/804240879.db2.gz WDAMHTSRTSCFFJ-MXWKQRLJSA-N 1 2 289.376 0.153 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219332577 804273672 /nfs/dbraw/zinc/27/36/72/804273672.db2.gz AHPPJZGHJVKDQR-KGLIPLIRSA-N 1 2 275.352 0.709 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219332577 804273677 /nfs/dbraw/zinc/27/36/77/804273677.db2.gz AHPPJZGHJVKDQR-KGLIPLIRSA-N 1 2 275.352 0.709 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219342736 804276393 /nfs/dbraw/zinc/27/63/93/804276393.db2.gz FWHJSGGNAQGBOV-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219342736 804276399 /nfs/dbraw/zinc/27/63/99/804276399.db2.gz FWHJSGGNAQGBOV-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219381329 804291444 /nfs/dbraw/zinc/29/14/44/804291444.db2.gz PCCCZJPBDFYXJV-HLTSFMKQSA-N 1 2 279.262 0.260 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219381329 804291449 /nfs/dbraw/zinc/29/14/49/804291449.db2.gz PCCCZJPBDFYXJV-HLTSFMKQSA-N 1 2 279.262 0.260 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)C2)[C@H](OC)C1 ZINC001212095123 815008360 /nfs/dbraw/zinc/00/83/60/815008360.db2.gz SLDGIXVNPOEOMW-NEXFUWMNSA-N 1 2 294.395 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC(C)C2)[C@H](OC)C1 ZINC001212095123 815008367 /nfs/dbraw/zinc/00/83/67/815008367.db2.gz SLDGIXVNPOEOMW-NEXFUWMNSA-N 1 2 294.395 0.498 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CCC)[C@@H](O)C1 ZINC001083455809 815012739 /nfs/dbraw/zinc/01/27/39/815012739.db2.gz UJSRBCMEBGQDNV-NEPJUHHUSA-N 1 2 293.367 0.896 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CCC)[C@@H](O)C1 ZINC001083455809 815012747 /nfs/dbraw/zinc/01/27/47/815012747.db2.gz UJSRBCMEBGQDNV-NEPJUHHUSA-N 1 2 293.367 0.896 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276810726 804502798 /nfs/dbraw/zinc/50/27/98/804502798.db2.gz RBQJTXWOJYLRNN-CQSZACIVSA-N 1 2 275.352 0.975 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001276810726 804502804 /nfs/dbraw/zinc/50/28/04/804502804.db2.gz RBQJTXWOJYLRNN-CQSZACIVSA-N 1 2 275.352 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H](O)C1 ZINC001220149275 804515156 /nfs/dbraw/zinc/51/51/56/804515156.db2.gz GAKTZBRODABAER-NEPJUHHUSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H](O)C1 ZINC001220149275 804515163 /nfs/dbraw/zinc/51/51/63/804515163.db2.gz GAKTZBRODABAER-NEPJUHHUSA-N 1 2 266.385 0.853 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 ZINC001220326636 804574333 /nfs/dbraw/zinc/57/43/33/804574333.db2.gz AHTUASNXCCMTOS-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 ZINC001220326636 804574337 /nfs/dbraw/zinc/57/43/37/804574337.db2.gz AHTUASNXCCMTOS-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221027899 804723523 /nfs/dbraw/zinc/72/35/23/804723523.db2.gz XDCNETABBVKBNC-IMJJTQAJSA-N 1 2 286.375 0.660 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221027899 804723528 /nfs/dbraw/zinc/72/35/28/804723528.db2.gz XDCNETABBVKBNC-IMJJTQAJSA-N 1 2 286.375 0.660 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001221141206 804735937 /nfs/dbraw/zinc/73/59/37/804735937.db2.gz MHUNGEVKIZKJMJ-JYYSYOFASA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001221141206 804735945 /nfs/dbraw/zinc/73/59/45/804735945.db2.gz MHUNGEVKIZKJMJ-JYYSYOFASA-N 1 2 288.775 0.493 20 30 CCEDLO CC(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221231136 804751968 /nfs/dbraw/zinc/75/19/68/804751968.db2.gz YBYZOOJVGVRFAT-CHWSQXEVSA-N 1 2 292.383 0.205 20 30 CCEDLO CC(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221231136 804751973 /nfs/dbraw/zinc/75/19/73/804751973.db2.gz YBYZOOJVGVRFAT-CHWSQXEVSA-N 1 2 292.383 0.205 20 30 CCEDLO COC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278339886 806987757 /nfs/dbraw/zinc/98/77/57/806987757.db2.gz NJZUPPHADKJTCK-UHFFFAOYSA-N 1 2 274.324 0.781 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)NC1(C#N)Cc2ccccc2C1 ZINC001221368744 804789559 /nfs/dbraw/zinc/78/95/59/804789559.db2.gz YKZMFMCEDSBXOL-LBPRGKRZSA-N 1 2 287.319 0.054 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276842833 804936364 /nfs/dbraw/zinc/93/63/64/804936364.db2.gz ROONNCSVTKXKGU-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276842833 804936366 /nfs/dbraw/zinc/93/63/66/804936366.db2.gz ROONNCSVTKXKGU-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO N#CCN1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419179 804969591 /nfs/dbraw/zinc/96/95/91/804969591.db2.gz GFUIQGYBBZOBRM-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO N#CCN1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419179 804969595 /nfs/dbraw/zinc/96/95/95/804969595.db2.gz GFUIQGYBBZOBRM-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001276963583 805026168 /nfs/dbraw/zinc/02/61/68/805026168.db2.gz KHKCNFWSHGKEQT-HNNXBMFYSA-N 1 2 299.374 0.169 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001276963583 805026172 /nfs/dbraw/zinc/02/61/72/805026172.db2.gz KHKCNFWSHGKEQT-HNNXBMFYSA-N 1 2 299.374 0.169 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCN(CC#N)CC1 ZINC001224795085 805077858 /nfs/dbraw/zinc/07/78/58/805077858.db2.gz DETZZWLHSFWPGO-GFCCVEGCSA-N 1 2 289.383 0.940 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCN(CC#N)CC1 ZINC001224795085 805077866 /nfs/dbraw/zinc/07/78/66/805077866.db2.gz DETZZWLHSFWPGO-GFCCVEGCSA-N 1 2 289.383 0.940 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NCC1(NCC#N)CC1 ZINC001277094306 805189181 /nfs/dbraw/zinc/18/91/81/805189181.db2.gz QXMSWBPMWQKPFI-UHFFFAOYSA-N 1 2 274.324 0.395 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228613648 805460129 /nfs/dbraw/zinc/46/01/29/805460129.db2.gz QVEZOEUXJVWTOG-KLLCGCCRSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228613648 805460133 /nfs/dbraw/zinc/46/01/33/805460133.db2.gz QVEZOEUXJVWTOG-KLLCGCCRSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4nccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228648924 805462852 /nfs/dbraw/zinc/46/28/52/805462852.db2.gz RHAUVWXXBWXWJG-ADAFDVPTSA-N 1 2 285.307 0.411 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4nccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228648924 805462858 /nfs/dbraw/zinc/46/28/58/805462858.db2.gz RHAUVWXXBWXWJG-ADAFDVPTSA-N 1 2 285.307 0.411 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001277401835 805544149 /nfs/dbraw/zinc/54/41/49/805544149.db2.gz CTRKNYFPCBAUHE-TXEJJXNPSA-N 1 2 269.414 0.842 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001277401835 805544152 /nfs/dbraw/zinc/54/41/52/805544152.db2.gz CTRKNYFPCBAUHE-TXEJJXNPSA-N 1 2 269.414 0.842 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001278388915 807058894 /nfs/dbraw/zinc/05/88/94/807058894.db2.gz OGALNUXGGPKMGG-AWEZNQCLSA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001278388915 807058901 /nfs/dbraw/zinc/05/89/01/807058901.db2.gz OGALNUXGGPKMGG-AWEZNQCLSA-N 1 2 265.357 0.102 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH+]cn1C ZINC000989735418 815091587 /nfs/dbraw/zinc/09/15/87/815091587.db2.gz AFNQXYPVVRARJN-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H](O)C1 ZINC001083468179 815113783 /nfs/dbraw/zinc/11/37/83/815113783.db2.gz LMGJYTDXPVRCKY-OCCSQVGLSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H](O)C1 ZINC001083468179 815113785 /nfs/dbraw/zinc/11/37/85/815113785.db2.gz LMGJYTDXPVRCKY-OCCSQVGLSA-N 1 2 288.351 0.016 20 30 CCEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278499340 807507022 /nfs/dbraw/zinc/50/70/22/807507022.db2.gz DQLUUSCMYNGECZ-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278499340 807507025 /nfs/dbraw/zinc/50/70/25/807507025.db2.gz DQLUUSCMYNGECZ-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278500560 807507179 /nfs/dbraw/zinc/50/71/79/807507179.db2.gz MSVTUHXEHGZPIA-OLZOCXBDSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278500560 807507182 /nfs/dbraw/zinc/50/71/82/807507182.db2.gz MSVTUHXEHGZPIA-OLZOCXBDSA-N 1 2 294.399 0.785 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126815970 815132148 /nfs/dbraw/zinc/13/21/48/815132148.db2.gz QQFCFXOFJDVLAS-SNVBAGLBSA-N 1 2 264.329 0.804 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(Br)cn2)CC1 ZINC001249493365 807559990 /nfs/dbraw/zinc/55/99/90/807559990.db2.gz LQEKSTCPFGSMMN-UHFFFAOYSA-N 1 2 295.184 0.990 20 30 CCEDLO N#CC1(NC[C@@H](O)C[NH+]2CCOCC2)CCCC1 ZINC001251036485 807651268 /nfs/dbraw/zinc/65/12/68/807651268.db2.gz HTFOYXHVYXEZMX-GFCCVEGCSA-N 1 2 253.346 0.105 20 30 CCEDLO C#CCOC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001251832557 807714192 /nfs/dbraw/zinc/71/41/92/807714192.db2.gz MOIZPYKMMBWYMF-PWSUYJOCSA-N 1 2 250.298 0.558 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001252454575 807870348 /nfs/dbraw/zinc/87/03/48/807870348.db2.gz RRGIJYXHXUVTGD-GFCCVEGCSA-N 1 2 286.372 0.759 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001252472179 807882840 /nfs/dbraw/zinc/88/28/40/807882840.db2.gz PHSLYFXUKBPRQY-STQMWFEESA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001252472179 807882849 /nfs/dbraw/zinc/88/28/49/807882849.db2.gz PHSLYFXUKBPRQY-STQMWFEESA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252487509 807889619 /nfs/dbraw/zinc/88/96/19/807889619.db2.gz UXTUQIXTZZVJJU-NEPJUHHUSA-N 1 2 259.346 0.727 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001278849141 808328097 /nfs/dbraw/zinc/32/80/97/808328097.db2.gz YIEYYNCRXKBLDJ-BQYQJAHWSA-N 1 2 264.369 0.775 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)C1 ZINC001259418136 808757899 /nfs/dbraw/zinc/75/78/99/808757899.db2.gz MRGHFXZUCLNOKM-UHFFFAOYSA-N 1 2 295.339 0.633 20 30 CCEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1COCCO1 ZINC001261552248 809019081 /nfs/dbraw/zinc/01/90/81/809019081.db2.gz LTAZNDGWAFRSNW-LBPRGKRZSA-N 1 2 252.318 0.654 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001076207986 815260598 /nfs/dbraw/zinc/26/05/98/815260598.db2.gz ZVETXHHSJDSWAE-WCQYABFASA-N 1 2 290.367 0.848 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001076207986 815260601 /nfs/dbraw/zinc/26/06/01/815260601.db2.gz ZVETXHHSJDSWAE-WCQYABFASA-N 1 2 290.367 0.848 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001262616264 809374412 /nfs/dbraw/zinc/37/44/12/809374412.db2.gz KBSXXODBTKLUDZ-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001262616264 809374418 /nfs/dbraw/zinc/37/44/18/809374418.db2.gz KBSXXODBTKLUDZ-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCc1[nH+]ccn1C ZINC001263770443 809566233 /nfs/dbraw/zinc/56/62/33/809566233.db2.gz FXTUMJLVFMINJK-UHFFFAOYSA-N 1 2 279.340 0.930 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001263805211 809573551 /nfs/dbraw/zinc/57/35/51/809573551.db2.gz MQWKGKJDWLVISW-GFCCVEGCSA-N 1 2 293.371 0.462 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001263805211 809573554 /nfs/dbraw/zinc/57/35/54/809573554.db2.gz MQWKGKJDWLVISW-GFCCVEGCSA-N 1 2 293.371 0.462 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CNC(C)=O ZINC001263815102 809576281 /nfs/dbraw/zinc/57/62/81/809576281.db2.gz RJJJPSJZQSHDQD-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CNC(C)=O ZINC001263815102 809576284 /nfs/dbraw/zinc/57/62/84/809576284.db2.gz RJJJPSJZQSHDQD-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896380 809601478 /nfs/dbraw/zinc/60/14/78/809601478.db2.gz XEGRFVWIRDKXSF-PWSUYJOCSA-N 1 2 278.356 0.785 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896380 809601482 /nfs/dbraw/zinc/60/14/82/809601482.db2.gz XEGRFVWIRDKXSF-PWSUYJOCSA-N 1 2 278.356 0.785 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CCN1CC#N ZINC001264375183 809647360 /nfs/dbraw/zinc/64/73/60/809647360.db2.gz VYFOIMBZTRFOPQ-DGCLKSJQSA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H]1CCN1CC#N ZINC001264375183 809647363 /nfs/dbraw/zinc/64/73/63/809647363.db2.gz VYFOIMBZTRFOPQ-DGCLKSJQSA-N 1 2 275.356 0.645 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001264985419 809687980 /nfs/dbraw/zinc/68/79/80/809687980.db2.gz YAQDAMOVLOZOMI-NSHDSACASA-N 1 2 294.355 0.354 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001264985419 809687981 /nfs/dbraw/zinc/68/79/81/809687981.db2.gz YAQDAMOVLOZOMI-NSHDSACASA-N 1 2 294.355 0.354 20 30 CCEDLO CC(=O)CCCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265238808 809729212 /nfs/dbraw/zinc/72/92/12/809729212.db2.gz QNWASUQEROZMRN-UHFFFAOYSA-N 1 2 294.399 0.393 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CC23CCCC3)CC1 ZINC001265265319 809735035 /nfs/dbraw/zinc/73/50/35/809735035.db2.gz VSWDKRVTIZYEBS-CQSZACIVSA-N 1 2 290.411 0.824 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001265278319 809744358 /nfs/dbraw/zinc/74/43/58/809744358.db2.gz DINAIIAQFKXMAN-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001265278319 809744364 /nfs/dbraw/zinc/74/43/64/809744364.db2.gz DINAIIAQFKXMAN-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nnc(C2CC2)o1 ZINC001265773240 809848794 /nfs/dbraw/zinc/84/87/94/809848794.db2.gz RGPODFRFBKAGBN-SNVBAGLBSA-N 1 2 288.351 0.955 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001265842568 809872549 /nfs/dbraw/zinc/87/25/49/809872549.db2.gz AJCQFEIKZAPDIE-UHFFFAOYSA-N 1 2 285.779 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001265842568 809872553 /nfs/dbraw/zinc/87/25/53/809872553.db2.gz AJCQFEIKZAPDIE-UHFFFAOYSA-N 1 2 285.779 0.846 20 30 CCEDLO C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266154505 809949826 /nfs/dbraw/zinc/94/98/26/809949826.db2.gz BDGGFUUZGJQFDO-NEPJUHHUSA-N 1 2 275.356 0.453 20 30 CCEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncn1 ZINC001168367760 815418606 /nfs/dbraw/zinc/41/86/06/815418606.db2.gz SOOZLBLCAINXGA-SNVBAGLBSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncn1 ZINC001168367760 815418609 /nfs/dbraw/zinc/41/86/09/815418609.db2.gz SOOZLBLCAINXGA-SNVBAGLBSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cncc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000721571233 811215982 /nfs/dbraw/zinc/21/59/82/811215982.db2.gz DBXJMARRCNCYCL-OAHLLOKOSA-N 1 2 272.352 0.860 20 30 CCEDLO C[N@H+](Cc1cncc(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000721583477 811234488 /nfs/dbraw/zinc/23/44/88/811234488.db2.gz UDLNRPWRSCNQLH-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000721583477 811234495 /nfs/dbraw/zinc/23/44/95/811234495.db2.gz UDLNRPWRSCNQLH-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001077017487 815433069 /nfs/dbraw/zinc/43/30/69/815433069.db2.gz CINFEDUYHHBUPO-RKDXNWHRSA-N 1 2 283.353 0.113 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001077017487 815433072 /nfs/dbraw/zinc/43/30/72/815433072.db2.gz CINFEDUYHHBUPO-RKDXNWHRSA-N 1 2 283.353 0.113 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038298412 811328967 /nfs/dbraw/zinc/32/89/67/811328967.db2.gz XILZHXGHUFZYDE-VIFPVBQESA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038298412 811328979 /nfs/dbraw/zinc/32/89/79/811328979.db2.gz XILZHXGHUFZYDE-VIFPVBQESA-N 1 2 268.267 0.716 20 30 CCEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267476332 811358473 /nfs/dbraw/zinc/35/84/73/811358473.db2.gz ZIVLNTIJNKIJMS-AWEZNQCLSA-N 1 2 293.411 0.978 20 30 CCEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267476332 811358477 /nfs/dbraw/zinc/35/84/77/811358477.db2.gz ZIVLNTIJNKIJMS-AWEZNQCLSA-N 1 2 293.411 0.978 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001077169289 815454104 /nfs/dbraw/zinc/45/41/04/815454104.db2.gz ZDZSQDPTKISBTA-HBJVGIJOSA-N 1 2 290.367 0.251 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001077169289 815454107 /nfs/dbraw/zinc/45/41/07/815454107.db2.gz ZDZSQDPTKISBTA-HBJVGIJOSA-N 1 2 290.367 0.251 20 30 CCEDLO CC#CC[N@H+](C)CC1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001267604578 811534820 /nfs/dbraw/zinc/53/48/20/811534820.db2.gz WSGPSEDQTZDDDE-UHFFFAOYSA-N 1 2 289.383 0.541 20 30 CCEDLO CC#CC[N@@H+](C)CC1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001267604578 811534824 /nfs/dbraw/zinc/53/48/24/811534824.db2.gz WSGPSEDQTZDDDE-UHFFFAOYSA-N 1 2 289.383 0.541 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001267625896 811584602 /nfs/dbraw/zinc/58/46/02/811584602.db2.gz GKUQDWCVXYZWLF-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267625896 811584608 /nfs/dbraw/zinc/58/46/08/811584608.db2.gz GKUQDWCVXYZWLF-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001267645073 811611588 /nfs/dbraw/zinc/61/15/88/811611588.db2.gz KRMVUCYEQAVSLR-LBPRGKRZSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C3CC3)[C@H]2C1 ZINC001083285806 811618456 /nfs/dbraw/zinc/61/84/56/811618456.db2.gz GQWUWCOSXKQMHF-AEGPPILISA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C3CC3)[C@H]2C1 ZINC001083285806 811618459 /nfs/dbraw/zinc/61/84/59/811618459.db2.gz GQWUWCOSXKQMHF-AEGPPILISA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(=O)NCC ZINC001267716290 811677494 /nfs/dbraw/zinc/67/74/94/811677494.db2.gz NKNVPEUBQMPCLX-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(=O)NCC ZINC001267716290 811677500 /nfs/dbraw/zinc/67/75/00/811677500.db2.gz NKNVPEUBQMPCLX-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001267731023 811700266 /nfs/dbraw/zinc/70/02/66/811700266.db2.gz KVILXEKQSWPEAM-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001267731023 811700272 /nfs/dbraw/zinc/70/02/72/811700272.db2.gz KVILXEKQSWPEAM-RYUDHWBXSA-N 1 2 290.367 0.007 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(F)F)C2)nn1 ZINC001105130452 811853296 /nfs/dbraw/zinc/85/32/96/811853296.db2.gz MZHYYTZCRNSROP-UHFFFAOYSA-N 1 2 297.309 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)F)C2)nn1 ZINC001105130576 811853465 /nfs/dbraw/zinc/85/34/65/811853465.db2.gz QLHSQHJCVSRYGV-UHFFFAOYSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccoc3)C2)nn1 ZINC001105218087 811863110 /nfs/dbraw/zinc/86/31/10/811863110.db2.gz WRANYELUDDLUJE-UHFFFAOYSA-N 1 2 299.334 0.220 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(F)F)C2)nn1 ZINC001105230518 811869263 /nfs/dbraw/zinc/86/92/63/811869263.db2.gz KHHXXDOEBYGMLQ-LLVKDONJSA-N 1 2 295.293 0.039 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105238375 811870443 /nfs/dbraw/zinc/87/04/43/811870443.db2.gz XNPXFKQDXKBJSQ-UHFFFAOYSA-N 1 2 297.362 0.188 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncnc2)C1 ZINC001267925900 811873070 /nfs/dbraw/zinc/87/30/70/811873070.db2.gz SVVBQWWELRQSRT-CQSZACIVSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cncnc2)C1 ZINC001267925900 811873078 /nfs/dbraw/zinc/87/30/78/811873078.db2.gz SVVBQWWELRQSRT-CQSZACIVSA-N 1 2 288.351 0.321 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)co3)C2)nn1 ZINC001105306105 811903201 /nfs/dbraw/zinc/90/32/01/811903201.db2.gz ZQIAHDJGPLJQSJ-UHFFFAOYSA-N 1 2 299.334 0.599 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017914 811960542 /nfs/dbraw/zinc/96/05/42/811960542.db2.gz GWOBERUBVKULNN-AWEZNQCLSA-N 1 2 292.383 0.703 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)C#CC2CC2)n1 ZINC001268062593 812173777 /nfs/dbraw/zinc/17/37/77/812173777.db2.gz DUXRFAIEWTUEGB-LLVKDONJSA-N 1 2 290.367 0.982 20 30 CCEDLO C#CCCS(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722409188 812279218 /nfs/dbraw/zinc/27/92/18/812279218.db2.gz UHFLIZRGLMKBCP-UHFFFAOYSA-N 1 2 287.410 0.647 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn(C)c2C)C1 ZINC001268244876 812409788 /nfs/dbraw/zinc/40/97/88/812409788.db2.gz AAHHKIAWFQTHMT-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC1C[NH+](C[C@@H](C)O)C1)OCC ZINC001268309962 812472805 /nfs/dbraw/zinc/47/28/05/812472805.db2.gz BFXZFKSYMSMOCK-YPMHNXCESA-N 1 2 270.373 0.539 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038966175 812484085 /nfs/dbraw/zinc/48/40/85/812484085.db2.gz AUKKJTPRHZNQHV-ZDUSSCGKSA-N 1 2 285.347 0.844 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038966175 812484088 /nfs/dbraw/zinc/48/40/88/812484088.db2.gz AUKKJTPRHZNQHV-ZDUSSCGKSA-N 1 2 285.347 0.844 20 30 CCEDLO C=CCCCC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001268444927 812574428 /nfs/dbraw/zinc/57/44/28/812574428.db2.gz FAOVLYXLDHAVHZ-ZDUSSCGKSA-N 1 2 289.383 0.922 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](CC(C)C)NC(C)=O)C1 ZINC001268474935 812632241 /nfs/dbraw/zinc/63/22/41/812632241.db2.gz RNDJQVOEQIOJHG-AWEZNQCLSA-N 1 2 279.384 0.361 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001126366372 812687748 /nfs/dbraw/zinc/68/77/48/812687748.db2.gz UPILCIKWWFOPEN-AWEZNQCLSA-N 1 2 296.371 0.726 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCCCC)C1 ZINC001268512515 812751772 /nfs/dbraw/zinc/75/17/72/812751772.db2.gz ZNOJKFBPIPYHGO-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001126378871 812821293 /nfs/dbraw/zinc/82/12/93/812821293.db2.gz UIATXHROHBEGGU-CYBMUJFWSA-N 1 2 282.344 0.165 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268729582 813044591 /nfs/dbraw/zinc/04/45/91/813044591.db2.gz HGCASWJBILMYSL-STQMWFEESA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268729582 813044597 /nfs/dbraw/zinc/04/45/97/813044597.db2.gz HGCASWJBILMYSL-STQMWFEESA-N 1 2 292.383 0.395 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638292 813086916 /nfs/dbraw/zinc/08/69/16/813086916.db2.gz GAXZGHFPRQRIRG-CHWSQXEVSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001268828744 813106230 /nfs/dbraw/zinc/10/62/30/813106230.db2.gz KZBSFQSGWDTYDI-GFCCVEGCSA-N 1 2 291.351 0.569 20 30 CCEDLO C#CC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268851479 813113524 /nfs/dbraw/zinc/11/35/24/813113524.db2.gz NCZLYLOTRJXRNI-BDJLRTHQSA-N 1 2 294.314 0.755 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001269061252 813198890 /nfs/dbraw/zinc/19/88/90/813198890.db2.gz HWEBHUUVTFMSFG-FZMZJTMJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001269061252 813198892 /nfs/dbraw/zinc/19/88/92/813198892.db2.gz HWEBHUUVTFMSFG-FZMZJTMJSA-N 1 2 267.373 0.525 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001269062160 813199920 /nfs/dbraw/zinc/19/99/20/813199920.db2.gz ZXUJPRLHZNENQT-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001269062160 813199923 /nfs/dbraw/zinc/19/99/23/813199923.db2.gz ZXUJPRLHZNENQT-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001269103665 813217108 /nfs/dbraw/zinc/21/71/08/813217108.db2.gz AAAZFKCIYDAOQT-UONOGXRCSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001269103665 813217115 /nfs/dbraw/zinc/21/71/15/813217115.db2.gz AAAZFKCIYDAOQT-UONOGXRCSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001127046624 815603042 /nfs/dbraw/zinc/60/30/42/815603042.db2.gz TWAHYBBVXIEPCO-SNVBAGLBSA-N 1 2 292.339 0.191 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001269278139 813304653 /nfs/dbraw/zinc/30/46/53/813304653.db2.gz CLWKLJXQMCKKDA-RYUDHWBXSA-N 1 2 265.357 0.244 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001269278139 813304662 /nfs/dbraw/zinc/30/46/62/813304662.db2.gz CLWKLJXQMCKKDA-RYUDHWBXSA-N 1 2 265.357 0.244 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001269310555 813322284 /nfs/dbraw/zinc/32/22/84/813322284.db2.gz MWVDIRBEMSQGLW-LBPRGKRZSA-N 1 2 298.346 0.566 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001269310555 813322290 /nfs/dbraw/zinc/32/22/90/813322290.db2.gz MWVDIRBEMSQGLW-LBPRGKRZSA-N 1 2 298.346 0.566 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269616303 813446858 /nfs/dbraw/zinc/44/68/58/813446858.db2.gz KQJWQODGIGXQTM-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269616303 813446867 /nfs/dbraw/zinc/44/68/67/813446867.db2.gz KQJWQODGIGXQTM-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270506623 813789749 /nfs/dbraw/zinc/78/97/49/813789749.db2.gz BOQHQUKMYNJALQ-LLVKDONJSA-N 1 2 258.325 0.819 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001270701049 813899195 /nfs/dbraw/zinc/89/91/95/813899195.db2.gz NXZKFZYRCVRVBV-CYBMUJFWSA-N 1 2 292.383 0.572 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001270701049 813899201 /nfs/dbraw/zinc/89/92/01/813899201.db2.gz NXZKFZYRCVRVBV-CYBMUJFWSA-N 1 2 292.383 0.572 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001029244980 814014719 /nfs/dbraw/zinc/01/47/19/814014719.db2.gz NOGXDRUTUVFXHF-ZDEQEGDKSA-N 1 2 292.383 0.298 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001029244980 814014723 /nfs/dbraw/zinc/01/47/23/814014723.db2.gz NOGXDRUTUVFXHF-ZDEQEGDKSA-N 1 2 292.383 0.298 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)[nH]1 ZINC001083413672 814030237 /nfs/dbraw/zinc/03/02/37/814030237.db2.gz ZNDXKHFBXHEFNZ-XSYPRPMDSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)[nH]1 ZINC001083413672 814030247 /nfs/dbraw/zinc/03/02/47/814030247.db2.gz ZNDXKHFBXHEFNZ-XSYPRPMDSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001059284051 814065484 /nfs/dbraw/zinc/06/54/84/814065484.db2.gz UILKDULRXFNPHE-MGCOHNPYSA-N 1 2 297.322 0.373 20 30 CCEDLO C=C(C)CN1CC[C@]2(CCCN2C(=O)C[NH+]2CCC2)C1=O ZINC001271011864 814116444 /nfs/dbraw/zinc/11/64/44/814116444.db2.gz NLAYIGJDFUZCEJ-MRXNPFEDSA-N 1 2 291.395 0.862 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC#N)[C@@H]2C1 ZINC001271253144 814352871 /nfs/dbraw/zinc/35/28/71/814352871.db2.gz VVOZIJHICYUYPS-UONOGXRCSA-N 1 2 295.383 0.833 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)CCCC#N)[C@@H]2C1 ZINC001271253144 814352879 /nfs/dbraw/zinc/35/28/79/814352879.db2.gz VVOZIJHICYUYPS-UONOGXRCSA-N 1 2 295.383 0.833 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219811 814447139 /nfs/dbraw/zinc/44/71/39/814447139.db2.gz XAOQVOPOHMUGMO-OLZOCXBDSA-N 1 2 273.340 0.187 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001127051676 815605164 /nfs/dbraw/zinc/60/51/64/815605164.db2.gz LBDXVUUGBFQACN-UWVGGRQHSA-N 1 2 280.328 0.183 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001127052505 815606578 /nfs/dbraw/zinc/60/65/78/815606578.db2.gz ZAWMFAGEDXFFES-GHMZBOCLSA-N 1 2 294.355 0.437 20 30 CCEDLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)CSCC#N ZINC001271962457 814653898 /nfs/dbraw/zinc/65/38/98/814653898.db2.gz LEUBDTJPPBUBSK-UHFFFAOYSA-N 1 2 295.412 0.567 20 30 CCEDLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)CSCC#N ZINC001271962457 814653906 /nfs/dbraw/zinc/65/39/06/814653906.db2.gz LEUBDTJPPBUBSK-UHFFFAOYSA-N 1 2 295.412 0.567 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001127040125 815589979 /nfs/dbraw/zinc/58/99/79/815589979.db2.gz YWAPQFZFOLMRCU-LLVKDONJSA-N 1 2 279.340 0.481 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001030147031 815835060 /nfs/dbraw/zinc/83/50/60/815835060.db2.gz AIFWMYXJYACELK-MNOVXSKESA-N 1 2 252.314 0.172 20 30 CCEDLO N#Cc1ccc(C(=O)NC2C[NH+](CCOC3CCC3)C2)[nH]1 ZINC001030224314 815909083 /nfs/dbraw/zinc/90/90/83/815909083.db2.gz LTMGEXHKMRETBJ-UHFFFAOYSA-N 1 2 288.351 0.869 20 30 CCEDLO C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC001030225976 815909949 /nfs/dbraw/zinc/90/99/49/815909949.db2.gz LGVKNKUADITEST-GXFFZTMASA-N 1 2 288.351 0.868 20 30 CCEDLO COC[C@H](C)[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030236847 815919358 /nfs/dbraw/zinc/91/93/58/815919358.db2.gz RRSATJOIYASLPX-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001030349324 815987966 /nfs/dbraw/zinc/98/79/66/815987966.db2.gz JEUJHFPSKRKFLT-UHFFFAOYSA-N 1 2 278.360 0.418 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001030393603 816011461 /nfs/dbraw/zinc/01/14/61/816011461.db2.gz QRSPMESUQKTHNR-GFCCVEGCSA-N 1 2 277.368 0.067 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN1CC#N ZINC001088849507 816068227 /nfs/dbraw/zinc/06/82/27/816068227.db2.gz ULLHPPVWOLJDCI-UTUOFQBUSA-N 1 2 287.367 0.932 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212187450 816114167 /nfs/dbraw/zinc/11/41/67/816114167.db2.gz SZGFSYIGGNKUFX-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212187450 816114173 /nfs/dbraw/zinc/11/41/73/816114173.db2.gz SZGFSYIGGNKUFX-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001030670330 816199974 /nfs/dbraw/zinc/19/99/74/816199974.db2.gz MBGDIZWPQVDNIP-UHFFFAOYSA-N 1 2 298.268 0.933 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001030696430 816230847 /nfs/dbraw/zinc/23/08/47/816230847.db2.gz UIXJJTGJGVXUAS-GFCCVEGCSA-N 1 2 289.383 0.607 20 30 CCEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cc1 ZINC001031067127 816620440 /nfs/dbraw/zinc/62/04/40/816620440.db2.gz SLJQDYGSCKBFFR-LBPRGKRZSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001031112972 816656607 /nfs/dbraw/zinc/65/66/07/816656607.db2.gz QBJBEHRIACSCDB-UHFFFAOYSA-N 1 2 274.368 0.957 20 30 CCEDLO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001106363151 816748003 /nfs/dbraw/zinc/74/80/03/816748003.db2.gz ZLGCIMJHNFHPPN-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)COC)C2)nc1 ZINC001031279321 816923758 /nfs/dbraw/zinc/92/37/58/816923758.db2.gz XNSFGDMIWBGZLF-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)COC)C2)cn1 ZINC001031279647 816925594 /nfs/dbraw/zinc/92/55/94/816925594.db2.gz LQBAGMSLFUTTIT-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](O)C1 ZINC001083750424 816982184 /nfs/dbraw/zinc/98/21/84/816982184.db2.gz WIOJUHLEACLRFN-KGLIPLIRSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](O)C1 ZINC001083750424 816982191 /nfs/dbraw/zinc/98/21/91/816982191.db2.gz WIOJUHLEACLRFN-KGLIPLIRSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001031408075 817038376 /nfs/dbraw/zinc/03/83/76/817038376.db2.gz PAJHYPLABARBCV-UHFFFAOYSA-N 1 2 297.362 0.783 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031680780 817240440 /nfs/dbraw/zinc/24/04/40/817240440.db2.gz QNFABIZYOIKDPH-OLZOCXBDSA-N 1 2 270.348 0.985 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783566 817364842 /nfs/dbraw/zinc/36/48/42/817364842.db2.gz YYWBBNMCKHZHSY-GFCCVEGCSA-N 1 2 273.340 0.017 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031804467 817378809 /nfs/dbraw/zinc/37/88/09/817378809.db2.gz YTRINUYRACLGQI-NSHDSACASA-N 1 2 285.775 0.313 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001031805291 817379553 /nfs/dbraw/zinc/37/95/53/817379553.db2.gz LSGSGCIXDNBIBE-UHFFFAOYSA-N 1 2 295.770 0.799 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001031849417 817416470 /nfs/dbraw/zinc/41/64/70/817416470.db2.gz KYRQQUXPXVGARX-UHFFFAOYSA-N 1 2 289.335 0.068 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968671 817506414 /nfs/dbraw/zinc/50/64/14/817506414.db2.gz DMCACUMUWWBEMC-NSHDSACASA-N 1 2 273.340 0.401 20 30 CCEDLO CCN(CCNc1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001106960947 817513181 /nfs/dbraw/zinc/51/31/81/817513181.db2.gz BMIDWHKPJIEBCW-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CCCc1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124889123 817617515 /nfs/dbraw/zinc/61/75/15/817617515.db2.gz PMTMSLUMPDKCHE-VIFPVBQESA-N 1 2 265.317 0.388 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CCF)C2)nc1 ZINC001032135183 817660257 /nfs/dbraw/zinc/66/02/57/817660257.db2.gz LTUDAMMQZBKNFX-UHFFFAOYSA-N 1 2 261.300 0.694 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccn1 ZINC001032291414 817787741 /nfs/dbraw/zinc/78/77/41/817787741.db2.gz JEAIYUHSJDMWAP-AVGNSLFASA-N 1 2 258.325 0.362 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccn1 ZINC001032291414 817787748 /nfs/dbraw/zinc/78/77/48/817787748.db2.gz JEAIYUHSJDMWAP-AVGNSLFASA-N 1 2 258.325 0.362 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C3CC3)nn2)C1 ZINC001107153571 817795838 /nfs/dbraw/zinc/79/58/38/817795838.db2.gz ITSJVMCAKNMVTE-NSHDSACASA-N 1 2 289.383 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805064 817892879 /nfs/dbraw/zinc/89/28/79/817892879.db2.gz ITWJVAPJUWFLDD-JGVFFNPUSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127805064 817892884 /nfs/dbraw/zinc/89/28/84/817892884.db2.gz ITWJVAPJUWFLDD-JGVFFNPUSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnccn2)C1 ZINC001107704982 817953982 /nfs/dbraw/zinc/95/39/82/817953982.db2.gz VTYAAAPEWRCRHA-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnccn2)C1 ZINC001107704982 817953986 /nfs/dbraw/zinc/95/39/86/817953986.db2.gz VTYAAAPEWRCRHA-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)on2)C1 ZINC001107719813 817964003 /nfs/dbraw/zinc/96/40/03/817964003.db2.gz IDDKLAXMMYHZKW-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)on2)C1 ZINC001107719813 817964010 /nfs/dbraw/zinc/96/40/10/817964010.db2.gz IDDKLAXMMYHZKW-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107736461 817975545 /nfs/dbraw/zinc/97/55/45/817975545.db2.gz WDDIRKOEHSBAJF-INIZCTEOSA-N 1 2 294.395 0.976 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107736461 817975550 /nfs/dbraw/zinc/97/55/50/817975550.db2.gz WDDIRKOEHSBAJF-INIZCTEOSA-N 1 2 294.395 0.976 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 ZINC001078796135 818051152 /nfs/dbraw/zinc/05/11/52/818051152.db2.gz WWDRALQNLQVAAB-QWHCGFSZSA-N 1 2 287.367 0.801 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001043442884 818082333 /nfs/dbraw/zinc/08/23/33/818082333.db2.gz ZFVMNJZITPEABT-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001038550575 818144117 /nfs/dbraw/zinc/14/41/17/818144117.db2.gz OCBIAINUSRELLA-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001038550575 818144129 /nfs/dbraw/zinc/14/41/29/818144129.db2.gz OCBIAINUSRELLA-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819426 818287340 /nfs/dbraw/zinc/28/73/40/818287340.db2.gz BFXNIDBOBPGZHU-ILXRZTDVSA-N 1 2 290.338 0.882 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819426 818287343 /nfs/dbraw/zinc/28/73/43/818287343.db2.gz BFXNIDBOBPGZHU-ILXRZTDVSA-N 1 2 290.338 0.882 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033026342 818440039 /nfs/dbraw/zinc/44/00/39/818440039.db2.gz VYUPMOVKJGIMBI-SNVBAGLBSA-N 1 2 297.790 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033026342 818440044 /nfs/dbraw/zinc/44/00/44/818440044.db2.gz VYUPMOVKJGIMBI-SNVBAGLBSA-N 1 2 297.790 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101413 818523314 /nfs/dbraw/zinc/52/33/14/818523314.db2.gz YGGAVLYBXAVVQS-ONGXEEELSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101413 818523323 /nfs/dbraw/zinc/52/33/23/818523323.db2.gz YGGAVLYBXAVVQS-ONGXEEELSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033389697 818754538 /nfs/dbraw/zinc/75/45/38/818754538.db2.gz SZMRZORDWTVNGH-FZMZJTMJSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033389697 818754542 /nfs/dbraw/zinc/75/45/42/818754542.db2.gz SZMRZORDWTVNGH-FZMZJTMJSA-N 1 2 299.802 0.940 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2C)C1 ZINC001108107755 818886251 /nfs/dbraw/zinc/88/62/51/818886251.db2.gz GYOLVXFRBVMBLQ-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2C)C1 ZINC001108107755 818886259 /nfs/dbraw/zinc/88/62/59/818886259.db2.gz GYOLVXFRBVMBLQ-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]nnc2C)C1 ZINC001108112955 819059716 /nfs/dbraw/zinc/05/97/16/819059716.db2.gz CCDQUYUEFBJBKX-CYBMUJFWSA-N 1 2 279.344 0.120 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]nnc2C)C1 ZINC001108112955 819059722 /nfs/dbraw/zinc/05/97/22/819059722.db2.gz CCDQUYUEFBJBKX-CYBMUJFWSA-N 1 2 279.344 0.120 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189628 819069925 /nfs/dbraw/zinc/06/99/25/819069925.db2.gz PFQGHSVEZRZVOF-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189628 819069933 /nfs/dbraw/zinc/06/99/33/819069933.db2.gz PFQGHSVEZRZVOF-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034374836 819183201 /nfs/dbraw/zinc/18/32/01/819183201.db2.gz FNLAGSNRAJPPBH-SECBINFHSA-N 1 2 259.737 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034374836 819183203 /nfs/dbraw/zinc/18/32/03/819183203.db2.gz FNLAGSNRAJPPBH-SECBINFHSA-N 1 2 259.737 0.195 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108134805 819275794 /nfs/dbraw/zinc/27/57/94/819275794.db2.gz VKRKRFJOURVKCC-YDHLFZDLSA-N 1 2 264.369 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108134805 819275798 /nfs/dbraw/zinc/27/57/98/819275798.db2.gz VKRKRFJOURVKCC-YDHLFZDLSA-N 1 2 264.369 0.873 20 30 CCEDLO C[C@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108135910 819280265 /nfs/dbraw/zinc/28/02/65/819280265.db2.gz IFAJWNVQYIKUTC-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035264658 819430841 /nfs/dbraw/zinc/43/08/41/819430841.db2.gz KVEVPUKQBCFNMM-AWEZNQCLSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035264658 819430843 /nfs/dbraw/zinc/43/08/43/819430843.db2.gz KVEVPUKQBCFNMM-AWEZNQCLSA-N 1 2 273.336 0.536 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001035269612 819432507 /nfs/dbraw/zinc/43/25/07/819432507.db2.gz DHZPJKJSPKWATQ-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001035269612 819432512 /nfs/dbraw/zinc/43/25/12/819432512.db2.gz DHZPJKJSPKWATQ-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035302174 819455314 /nfs/dbraw/zinc/45/53/14/819455314.db2.gz GJEVDMBFKKUWNJ-NSHDSACASA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035302174 819455316 /nfs/dbraw/zinc/45/53/16/819455316.db2.gz GJEVDMBFKKUWNJ-NSHDSACASA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001035320299 819469217 /nfs/dbraw/zinc/46/92/17/819469217.db2.gz PKEVBEUBZDRDGA-ZDUSSCGKSA-N 1 2 250.342 0.956 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001035320299 819469226 /nfs/dbraw/zinc/46/92/26/819469226.db2.gz PKEVBEUBZDRDGA-ZDUSSCGKSA-N 1 2 250.342 0.956 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035328274 819473594 /nfs/dbraw/zinc/47/35/94/819473594.db2.gz VPGRKDBATOEOED-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035328274 819473600 /nfs/dbraw/zinc/47/36/00/819473600.db2.gz VPGRKDBATOEOED-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035337699 819479582 /nfs/dbraw/zinc/47/95/82/819479582.db2.gz LAERFFZCQMMGRH-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035337699 819479587 /nfs/dbraw/zinc/47/95/87/819479587.db2.gz LAERFFZCQMMGRH-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339760 819480228 /nfs/dbraw/zinc/48/02/28/819480228.db2.gz AXVSHVQCPOVVIH-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339760 819480234 /nfs/dbraw/zinc/48/02/34/819480234.db2.gz AXVSHVQCPOVVIH-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035339079 819480815 /nfs/dbraw/zinc/48/08/15/819480815.db2.gz ZVFIFDFAHJCEOG-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035339079 819480818 /nfs/dbraw/zinc/48/08/18/819480818.db2.gz ZVFIFDFAHJCEOG-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035339365 819481103 /nfs/dbraw/zinc/48/11/03/819481103.db2.gz KXFDKZAXNXPDJG-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035339365 819481108 /nfs/dbraw/zinc/48/11/08/819481108.db2.gz KXFDKZAXNXPDJG-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035401312 819507483 /nfs/dbraw/zinc/50/74/83/819507483.db2.gz YVMUFKQNTNAVAV-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035401312 819507490 /nfs/dbraw/zinc/50/74/90/819507490.db2.gz YVMUFKQNTNAVAV-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035405705 819514120 /nfs/dbraw/zinc/51/41/20/819514120.db2.gz DBDJGYUHGXEEFA-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035405705 819514122 /nfs/dbraw/zinc/51/41/22/819514122.db2.gz DBDJGYUHGXEEFA-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nonc2C)C1 ZINC001035625128 819582735 /nfs/dbraw/zinc/58/27/35/819582735.db2.gz SBHOKVYUABBUBJ-NSHDSACASA-N 1 2 280.328 0.385 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nonc2C)C1 ZINC001035625128 819582739 /nfs/dbraw/zinc/58/27/39/819582739.db2.gz SBHOKVYUABBUBJ-NSHDSACASA-N 1 2 280.328 0.385 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035611136 819590063 /nfs/dbraw/zinc/59/00/63/819590063.db2.gz WUASMTYJXKMDFK-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035611136 819590068 /nfs/dbraw/zinc/59/00/68/819590068.db2.gz WUASMTYJXKMDFK-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035614646 819592330 /nfs/dbraw/zinc/59/23/30/819592330.db2.gz RVBQCHBXVQAKLS-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035614646 819592334 /nfs/dbraw/zinc/59/23/34/819592334.db2.gz RVBQCHBXVQAKLS-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C(C)(C)C)[C@@H](O)C1 ZINC001083930648 820297147 /nfs/dbraw/zinc/29/71/47/820297147.db2.gz PWXUESQTNDZGED-MNOVXSKESA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C(C)(C)C)[C@@H](O)C1 ZINC001083930648 820297157 /nfs/dbraw/zinc/29/71/57/820297157.db2.gz PWXUESQTNDZGED-MNOVXSKESA-N 1 2 291.351 0.380 20 30 CCEDLO C=CCCC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001079474201 820405867 /nfs/dbraw/zinc/40/58/67/820405867.db2.gz RNTMNOLGXQGHBR-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079967620 820497284 /nfs/dbraw/zinc/49/72/84/820497284.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079967620 820497287 /nfs/dbraw/zinc/49/72/87/820497287.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001079967620 820497289 /nfs/dbraw/zinc/49/72/89/820497289.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001079967620 820497292 /nfs/dbraw/zinc/49/72/92/820497292.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 1 2 263.385 0.540 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080404654 820567184 /nfs/dbraw/zinc/56/71/84/820567184.db2.gz RZMCQOPVDFVJIX-GHMZBOCLSA-N 1 2 265.357 0.265 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080404654 820567192 /nfs/dbraw/zinc/56/71/92/820567192.db2.gz RZMCQOPVDFVJIX-GHMZBOCLSA-N 1 2 265.357 0.265 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001081567810 820790751 /nfs/dbraw/zinc/79/07/51/820790751.db2.gz DAXSHSCNLVUDCK-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001081567810 820790757 /nfs/dbraw/zinc/79/07/57/820790757.db2.gz DAXSHSCNLVUDCK-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001081605638 820806834 /nfs/dbraw/zinc/80/68/34/820806834.db2.gz XSDIFZKTRAEOFL-CHWSQXEVSA-N 1 2 290.367 0.355 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001081605638 820806846 /nfs/dbraw/zinc/80/68/46/820806846.db2.gz XSDIFZKTRAEOFL-CHWSQXEVSA-N 1 2 290.367 0.355 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C)nc2C#N)C[NH2+]1 ZINC001164305250 820811267 /nfs/dbraw/zinc/81/12/67/820811267.db2.gz RPPXKBOZHDUAKF-ONGXEEELSA-N 1 2 260.297 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H](OC)C1 ZINC001081926419 820866983 /nfs/dbraw/zinc/86/69/83/820866983.db2.gz YTHMVDNVDDDTDP-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H](OC)C1 ZINC001081926419 820866991 /nfs/dbraw/zinc/86/69/91/820866991.db2.gz YTHMVDNVDDDTDP-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@H](OC)C1 ZINC001081971614 820870862 /nfs/dbraw/zinc/87/08/62/820870862.db2.gz MQOLMMBVRAGAFT-TZMCWYRMSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@H](OC)C1 ZINC001081971614 820870873 /nfs/dbraw/zinc/87/08/73/820870873.db2.gz MQOLMMBVRAGAFT-TZMCWYRMSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@H](OC)C1 ZINC001081986330 820872073 /nfs/dbraw/zinc/87/20/73/820872073.db2.gz AQBJLYVHRGOZGJ-ZIAGYGMSSA-N 1 2 288.347 0.831 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@H](OC)C1 ZINC001081986330 820872079 /nfs/dbraw/zinc/87/20/79/820872079.db2.gz AQBJLYVHRGOZGJ-ZIAGYGMSSA-N 1 2 288.347 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC001082030339 820887446 /nfs/dbraw/zinc/88/74/46/820887446.db2.gz GIZHHHPFAADBTN-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC001082030339 820887456 /nfs/dbraw/zinc/88/74/56/820887456.db2.gz GIZHHHPFAADBTN-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001082060752 820890852 /nfs/dbraw/zinc/89/08/52/820890852.db2.gz IQXIHBIBMUQZMQ-ZYHUDNBSSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001082060752 820890858 /nfs/dbraw/zinc/89/08/58/820890858.db2.gz IQXIHBIBMUQZMQ-ZYHUDNBSSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@H](OC)C1 ZINC001082189709 820912108 /nfs/dbraw/zinc/91/21/08/820912108.db2.gz JZSOYKCFBKPVIC-ZIAGYGMSSA-N 1 2 290.367 0.355 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@H](OC)C1 ZINC001082189709 820912115 /nfs/dbraw/zinc/91/21/15/820912115.db2.gz JZSOYKCFBKPVIC-ZIAGYGMSSA-N 1 2 290.367 0.355 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@H](OC)C1 ZINC001082343163 820938527 /nfs/dbraw/zinc/93/85/27/820938527.db2.gz ZQNPRFVALVYMSX-DGCLKSJQSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@H](OC)C1 ZINC001082343163 820938535 /nfs/dbraw/zinc/93/85/35/820938535.db2.gz ZQNPRFVALVYMSX-DGCLKSJQSA-N 1 2 289.335 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001082450648 820972340 /nfs/dbraw/zinc/97/23/40/820972340.db2.gz CWMAMNSDHXZJNA-FXPVBKGRSA-N 1 2 279.369 0.634 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cc3)[C@H]2C1 ZINC001082980254 821086860 /nfs/dbraw/zinc/08/68/60/821086860.db2.gz ROXIYLQKSBTGRF-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cc3)[C@H]2C1 ZINC001082980254 821086868 /nfs/dbraw/zinc/08/68/68/821086868.db2.gz ROXIYLQKSBTGRF-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn3CC)[C@H]2C1 ZINC001083065309 821133718 /nfs/dbraw/zinc/13/37/18/821133718.db2.gz YDGNTSHKRWBSKA-QWHCGFSZSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn3CC)[C@H]2C1 ZINC001083065309 821133721 /nfs/dbraw/zinc/13/37/21/821133721.db2.gz YDGNTSHKRWBSKA-QWHCGFSZSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC(F)(F)C3)[C@H]2C1 ZINC001083124339 821142571 /nfs/dbraw/zinc/14/25/71/821142571.db2.gz UZCHLKOFZXBHDB-QWHCGFSZSA-N 1 2 298.333 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC(F)(F)C3)[C@H]2C1 ZINC001083124339 821142577 /nfs/dbraw/zinc/14/25/77/821142577.db2.gz UZCHLKOFZXBHDB-QWHCGFSZSA-N 1 2 298.333 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](O)C1 ZINC001083949629 821163410 /nfs/dbraw/zinc/16/34/10/821163410.db2.gz JQMNJQSQQZFEMW-PWSUYJOCSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](O)C1 ZINC001083949629 821163412 /nfs/dbraw/zinc/16/34/12/821163412.db2.gz JQMNJQSQQZFEMW-PWSUYJOCSA-N 1 2 277.324 0.035 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084231722 821245928 /nfs/dbraw/zinc/24/59/28/821245928.db2.gz JPULKIIZGFNPCF-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084231722 821245934 /nfs/dbraw/zinc/24/59/34/821245934.db2.gz JPULKIIZGFNPCF-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465246 821293068 /nfs/dbraw/zinc/29/30/68/821293068.db2.gz FLWSGVYAGIOCAT-UMVBOHGHSA-N 1 2 299.378 0.502 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC001085560726 821789108 /nfs/dbraw/zinc/78/91/08/821789108.db2.gz UJRXYBGAQGQKTM-CYBMUJFWSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC001085560726 821789111 /nfs/dbraw/zinc/78/91/11/821789111.db2.gz UJRXYBGAQGQKTM-CYBMUJFWSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001085606574 821845989 /nfs/dbraw/zinc/84/59/89/821845989.db2.gz QUVWEFTWSGXGEZ-LLVKDONJSA-N 1 2 290.371 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001085606574 821845996 /nfs/dbraw/zinc/84/59/96/821845996.db2.gz QUVWEFTWSGXGEZ-LLVKDONJSA-N 1 2 290.371 0.208 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085630662 821861577 /nfs/dbraw/zinc/86/15/77/821861577.db2.gz AOQHJINBIUOYPX-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085630662 821861588 /nfs/dbraw/zinc/86/15/88/821861588.db2.gz AOQHJINBIUOYPX-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085638521 821870911 /nfs/dbraw/zinc/87/09/11/821870911.db2.gz SSCFTIGLZDBGJS-CYBMUJFWSA-N 1 2 289.383 0.776 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085638521 821870914 /nfs/dbraw/zinc/87/09/14/821870914.db2.gz SSCFTIGLZDBGJS-CYBMUJFWSA-N 1 2 289.383 0.776 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC(F)F)n1 ZINC001085658068 821877309 /nfs/dbraw/zinc/87/73/09/821877309.db2.gz IMVFDMCICRJTCQ-LLVKDONJSA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC(F)F)n1 ZINC001085658068 821877316 /nfs/dbraw/zinc/87/73/16/821877316.db2.gz IMVFDMCICRJTCQ-LLVKDONJSA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nnc2ccccc2n1 ZINC001085724804 821919075 /nfs/dbraw/zinc/91/90/75/821919075.db2.gz FUXTYBXCQNWXFZ-LBPRGKRZSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnc2ccccc2n1 ZINC001085724804 821919078 /nfs/dbraw/zinc/91/90/78/821919078.db2.gz FUXTYBXCQNWXFZ-LBPRGKRZSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nncn2c1 ZINC001085873399 821990971 /nfs/dbraw/zinc/99/09/71/821990971.db2.gz ZBXWYCSNHXSIQU-ZDUSSCGKSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nncn2c1 ZINC001085873399 821990977 /nfs/dbraw/zinc/99/09/77/821990977.db2.gz ZBXWYCSNHXSIQU-ZDUSSCGKSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982592 822053967 /nfs/dbraw/zinc/05/39/67/822053967.db2.gz ODFAOZUSJPCUQV-KGLIPLIRSA-N 1 2 281.400 0.426 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982592 822053971 /nfs/dbraw/zinc/05/39/71/822053971.db2.gz ODFAOZUSJPCUQV-KGLIPLIRSA-N 1 2 281.400 0.426 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OCC)cn1 ZINC001086004675 822066304 /nfs/dbraw/zinc/06/63/04/822066304.db2.gz MAUAZTHNRNAYSP-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OCC)cn1 ZINC001086004675 822066314 /nfs/dbraw/zinc/06/63/14/822066314.db2.gz MAUAZTHNRNAYSP-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086403989 822239428 /nfs/dbraw/zinc/23/94/28/822239428.db2.gz LJJNEWFJUGICKY-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO CCn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114067304 837421157 /nfs/dbraw/zinc/42/11/57/837421157.db2.gz QBTYROZETOPPLP-ZZVYKPCYSA-N 1 2 287.367 0.609 20 30 CCEDLO CCn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114067304 837421162 /nfs/dbraw/zinc/42/11/62/837421162.db2.gz QBTYROZETOPPLP-ZZVYKPCYSA-N 1 2 287.367 0.609 20 30 CCEDLO CCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)nn1 ZINC001114257759 837490669 /nfs/dbraw/zinc/49/06/69/837490669.db2.gz FXZGIDABRZPDRZ-FOLVSLTJSA-N 1 2 299.378 0.258 20 30 CCEDLO CCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)nn1 ZINC001114257759 837490674 /nfs/dbraw/zinc/49/06/74/837490674.db2.gz FXZGIDABRZPDRZ-FOLVSLTJSA-N 1 2 299.378 0.258 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2CC[C@@H](CC)C2=O)CC1 ZINC001183668972 844061650 /nfs/dbraw/zinc/06/16/50/844061650.db2.gz FDPZNQSPZSCPQN-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO CN(C)S(=O)(=O)CCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168863147 836024454 /nfs/dbraw/zinc/02/44/54/836024454.db2.gz XELUEDBSEYAMAC-UHFFFAOYSA-N 1 2 294.380 0.940 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108408476 836039460 /nfs/dbraw/zinc/03/94/60/836039460.db2.gz HGMUCXFQYNTDKN-OAHLLOKOSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108408476 836039469 /nfs/dbraw/zinc/03/94/69/836039469.db2.gz HGMUCXFQYNTDKN-OAHLLOKOSA-N 1 2 277.368 0.950 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108408899 836041842 /nfs/dbraw/zinc/04/18/42/836041842.db2.gz PFYQJTJSIJEWOI-GDBMZVCRSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108408899 836041855 /nfs/dbraw/zinc/04/18/55/836041855.db2.gz PFYQJTJSIJEWOI-GDBMZVCRSA-N 1 2 296.411 0.889 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001108430901 836078772 /nfs/dbraw/zinc/07/87/72/836078772.db2.gz PPKSPRTUMUFSCW-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3[nH]c(C#N)cc3n2)C[NH2+]1 ZINC001156248990 836118591 /nfs/dbraw/zinc/11/85/91/836118591.db2.gz STLSWHCCQCDVQU-CABZTGNLSA-N 1 2 285.307 0.750 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C3(C#N)CC3)ccn2)C[NH2+]1 ZINC001169130652 836147293 /nfs/dbraw/zinc/14/72/93/836147293.db2.gz OYXTWKYPYDSQDX-NEPJUHHUSA-N 1 2 286.335 0.952 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1c[nH]c2ncnc(Cl)c12 ZINC001156321025 836284786 /nfs/dbraw/zinc/28/47/86/836284786.db2.gz MOYHAYPDRLCMPC-ZETCQYMHSA-N 1 2 262.704 0.865 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCC)CC2=O)C1 ZINC001108498672 836322860 /nfs/dbraw/zinc/32/28/60/836322860.db2.gz OBHYNMHARGCQRF-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC001169779641 836443115 /nfs/dbraw/zinc/44/31/15/836443115.db2.gz QFLYRBUQOKLONG-NSHDSACASA-N 1 2 291.355 0.137 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001169779641 836443119 /nfs/dbraw/zinc/44/31/19/836443119.db2.gz QFLYRBUQOKLONG-NSHDSACASA-N 1 2 291.355 0.137 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](F)CC)CC2=O)C1 ZINC001108563940 836452251 /nfs/dbraw/zinc/45/22/51/836452251.db2.gz XEMJOUHHMWRKGK-ZYHUDNBSSA-N 1 2 283.347 0.322 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001108718633 836515533 /nfs/dbraw/zinc/51/55/33/836515533.db2.gz MLWRAWPQQJLBCW-JTQLQIEISA-N 1 2 299.338 0.539 20 30 CCEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001108868876 836559762 /nfs/dbraw/zinc/55/97/62/836559762.db2.gz GYWQHFDVZARBEO-SNVBAGLBSA-N 1 2 293.396 0.983 20 30 CCEDLO C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014548 836598766 /nfs/dbraw/zinc/59/87/66/836598766.db2.gz KLWNVLZPOKXYPF-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109601663 836703222 /nfs/dbraw/zinc/70/32/22/836703222.db2.gz KBUVUGNNAQKRSQ-VWYCJHECSA-N 1 2 265.357 0.405 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109601663 836703223 /nfs/dbraw/zinc/70/32/23/836703223.db2.gz KBUVUGNNAQKRSQ-VWYCJHECSA-N 1 2 265.357 0.405 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109608574 836704410 /nfs/dbraw/zinc/70/44/10/836704410.db2.gz VESLXBPXGMWSBO-NDBYEHHHSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109608574 836704416 /nfs/dbraw/zinc/70/44/16/836704416.db2.gz VESLXBPXGMWSBO-NDBYEHHHSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109604347 836704590 /nfs/dbraw/zinc/70/45/90/836704590.db2.gz FAWZXIMYPQQQGM-RDBSUJKOSA-N 1 2 291.395 0.777 20 30 CCEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109604347 836704592 /nfs/dbraw/zinc/70/45/92/836704592.db2.gz FAWZXIMYPQQQGM-RDBSUJKOSA-N 1 2 291.395 0.777 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)OC)CC1 ZINC001112671438 836856295 /nfs/dbraw/zinc/85/62/95/836856295.db2.gz IUHQCSVPAYDFNE-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC001112710481 836881140 /nfs/dbraw/zinc/88/11/40/836881140.db2.gz BWUVGHWMOZTUGL-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001112738923 836890634 /nfs/dbraw/zinc/89/06/34/836890634.db2.gz QNTIYQDFOYJFQK-UHFFFAOYSA-N 1 2 278.356 0.299 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001112768402 836903572 /nfs/dbraw/zinc/90/35/72/836903572.db2.gz ZSYSMAJMQJWPCN-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001112772733 836907655 /nfs/dbraw/zinc/90/76/55/836907655.db2.gz HYTJFWOFXATKGF-UHFFFAOYSA-N 1 2 288.351 0.847 20 30 CCEDLO C=C(C)C(=O)OCCNc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001157308322 836928220 /nfs/dbraw/zinc/92/82/20/836928220.db2.gz MGTLCZFHMOKBIO-UHFFFAOYSA-N 1 2 288.311 0.897 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112837904 836935648 /nfs/dbraw/zinc/93/56/48/836935648.db2.gz ZTFPERLXEGSMCD-ZDUSSCGKSA-N 1 2 290.367 0.103 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001112910758 836960659 /nfs/dbraw/zinc/96/06/59/836960659.db2.gz KIWZJTAUOVVKGA-UONOGXRCSA-N 1 2 291.395 0.316 20 30 CCEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113155406 837041671 /nfs/dbraw/zinc/04/16/71/837041671.db2.gz ORHDTDYCBFKMFP-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccncc1C#N ZINC001113315168 837087291 /nfs/dbraw/zinc/08/72/91/837087291.db2.gz YGLLKMCWOVPWJB-QWRGUYRKSA-N 1 2 298.350 0.646 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC001113437952 837117057 /nfs/dbraw/zinc/11/70/57/837117057.db2.gz WJRWNDPKQBHCCO-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCC(=O)NCC)CC1 ZINC001113556209 837156942 /nfs/dbraw/zinc/15/69/42/837156942.db2.gz KZOFPVZVQHCWAG-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCC=C)CC1 ZINC001113713749 837203671 /nfs/dbraw/zinc/20/36/71/837203671.db2.gz XLSIXMKUYDZCMG-CQSZACIVSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)OCC)CC1 ZINC001131330789 838050583 /nfs/dbraw/zinc/05/05/83/838050583.db2.gz YSDJAKWABCQBHZ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)OCC)CC1 ZINC001131330789 838050593 /nfs/dbraw/zinc/05/05/93/838050593.db2.gz YSDJAKWABCQBHZ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131742118 838201056 /nfs/dbraw/zinc/20/10/56/838201056.db2.gz APQHIPRQMZQDLQ-JQWIXIFHSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131742118 838201063 /nfs/dbraw/zinc/20/10/63/838201063.db2.gz APQHIPRQMZQDLQ-JQWIXIFHSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1csnn1 ZINC001131867748 838254868 /nfs/dbraw/zinc/25/48/68/838254868.db2.gz VJASKHUOFSVALZ-CYBMUJFWSA-N 1 2 298.412 0.973 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001133154579 838562397 /nfs/dbraw/zinc/56/23/97/838562397.db2.gz KQHXRFGUGZTFSB-UHFFFAOYSA-N 1 2 281.360 0.698 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001134062224 838846613 /nfs/dbraw/zinc/84/66/13/838846613.db2.gz SRCVLMCHWBAAHF-MNOVXSKESA-N 1 2 282.369 0.335 20 30 CCEDLO COCC#CC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001187134138 844657956 /nfs/dbraw/zinc/65/79/56/844657956.db2.gz VIAVOAAPYSZJFG-UHFFFAOYSA-N 1 2 267.354 0.717 20 30 CCEDLO CC(C)(C#N)c1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)cn1 ZINC001186033967 844484557 /nfs/dbraw/zinc/48/45/57/844484557.db2.gz MYMDCSXVQUHSBE-LBPRGKRZSA-N 1 2 288.351 0.888 20 30 CCEDLO CC(C)(C#N)c1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)cn1 ZINC001186033967 844484561 /nfs/dbraw/zinc/48/45/61/844484561.db2.gz MYMDCSXVQUHSBE-LBPRGKRZSA-N 1 2 288.351 0.888 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc[nH]c2C(=O)OCC)CC1 ZINC001144340144 840011133 /nfs/dbraw/zinc/01/11/33/840011133.db2.gz AOLNCMFNZJDVRT-UHFFFAOYSA-N 1 2 275.352 0.942 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nonc1C ZINC001149118107 840256770 /nfs/dbraw/zinc/25/67/70/840256770.db2.gz ZXQIUTNNNIQCJA-UHFFFAOYSA-N 1 2 298.346 0.808 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)COCC(=O)N2[C@@H](C)C(C)=O ZINC001273538240 844703140 /nfs/dbraw/zinc/70/31/40/844703140.db2.gz SBMLWNWNAARROG-LBPRGKRZSA-N 1 2 278.352 0.291 20 30 CCEDLO COc1c[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc1NC1CC1 ZINC001171360314 840947849 /nfs/dbraw/zinc/94/78/49/840947849.db2.gz LNQWCJFFBMGPBT-XVKPBYJWSA-N 1 2 293.327 0.708 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cocn1)c1nccn12 ZINC001092354927 841008655 /nfs/dbraw/zinc/00/86/55/841008655.db2.gz PEEZLPKOPQUOMO-NSHDSACASA-N 1 2 299.334 0.943 20 30 CCEDLO CC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001186867109 844614708 /nfs/dbraw/zinc/61/47/08/844614708.db2.gz SVTKDPSZCOMWHI-RWMBFGLXSA-N 1 2 292.383 0.205 20 30 CCEDLO CC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001186867109 844614713 /nfs/dbraw/zinc/61/47/13/844614713.db2.gz SVTKDPSZCOMWHI-RWMBFGLXSA-N 1 2 292.383 0.205 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001093702571 841443101 /nfs/dbraw/zinc/44/31/01/841443101.db2.gz ZOFJCKNMWLGYLW-UHFFFAOYSA-N 1 2 270.296 0.378 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094224873 841570356 /nfs/dbraw/zinc/57/03/56/841570356.db2.gz FTBZVGVHNTXLCI-UHFFFAOYSA-N 1 2 284.323 0.259 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094224873 841570367 /nfs/dbraw/zinc/57/03/67/841570367.db2.gz FTBZVGVHNTXLCI-UHFFFAOYSA-N 1 2 284.323 0.259 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3(C)C)nn2)C1 ZINC001094284967 841597988 /nfs/dbraw/zinc/59/79/88/841597988.db2.gz XPRMBPNPCJPICV-ZDUSSCGKSA-N 1 2 289.383 0.983 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ccc(C#N)nn1 ZINC001094504231 841644080 /nfs/dbraw/zinc/64/40/80/841644080.db2.gz LKZPPIKPPKMMDK-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 ZINC001094691080 841704690 /nfs/dbraw/zinc/70/46/90/841704690.db2.gz ATJQDXKZDFYOAH-GFCCVEGCSA-N 1 2 277.368 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 ZINC001094773158 841720401 /nfs/dbraw/zinc/72/04/01/841720401.db2.gz QJAKUPPUFFEEKH-YRGRVCCFSA-N 1 2 291.395 0.620 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173730153 842160682 /nfs/dbraw/zinc/16/06/82/842160682.db2.gz KPMJJMLOKCLVHK-MXWKQRLJSA-N 1 2 299.400 0.608 20 30 CCEDLO CC(=O)C=C(C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176381442 842359191 /nfs/dbraw/zinc/35/91/91/842359191.db2.gz ZGCSFSODTFIAQK-HXUAIIEXSA-N 1 2 278.312 0.066 20 30 CCEDLO CC(=O)C=C(C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176381442 842359201 /nfs/dbraw/zinc/35/92/01/842359201.db2.gz ZGCSFSODTFIAQK-HXUAIIEXSA-N 1 2 278.312 0.066 20 30 CCEDLO C=C[C@H]1C[C@@]1(NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001176883856 842440216 /nfs/dbraw/zinc/44/02/16/842440216.db2.gz MUKYRULNOCAWCB-FZMZJTMJSA-N 1 2 277.324 0.897 20 30 CCEDLO CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929855 842453538 /nfs/dbraw/zinc/45/35/38/842453538.db2.gz NLAOSSKIIKDIST-QWHCGFSZSA-N 1 2 297.424 0.955 20 30 CCEDLO CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929855 842453546 /nfs/dbraw/zinc/45/35/46/842453546.db2.gz NLAOSSKIIKDIST-QWHCGFSZSA-N 1 2 297.424 0.955 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900661 842459998 /nfs/dbraw/zinc/45/99/98/842459998.db2.gz OONUJXYXOHQJLJ-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900661 842460006 /nfs/dbraw/zinc/46/00/06/842460006.db2.gz OONUJXYXOHQJLJ-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001176949654 842467210 /nfs/dbraw/zinc/46/72/10/842467210.db2.gz QRZZYWZAUDPYNP-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001176949654 842467214 /nfs/dbraw/zinc/46/72/14/842467214.db2.gz QRZZYWZAUDPYNP-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177020042 842485896 /nfs/dbraw/zinc/48/58/96/842485896.db2.gz VIVKLCXOAAJCLO-LSDHHAIUSA-N 1 2 294.395 0.330 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177020042 842485901 /nfs/dbraw/zinc/48/59/01/842485901.db2.gz VIVKLCXOAAJCLO-LSDHHAIUSA-N 1 2 294.395 0.330 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019231 842486045 /nfs/dbraw/zinc/48/60/45/842486045.db2.gz JOLBLTSWBYITGS-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019231 842486052 /nfs/dbraw/zinc/48/60/52/842486052.db2.gz JOLBLTSWBYITGS-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182504489 843847837 /nfs/dbraw/zinc/84/78/37/843847837.db2.gz DNMADHQFSZXSNT-ZYHUDNBSSA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)OC2(C)C)CC1 ZINC001182752027 843901297 /nfs/dbraw/zinc/90/12/97/843901297.db2.gz ZERWQRSYYVYPHC-NSHDSACASA-N 1 2 266.341 0.658 20 30 CCEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959196 845006510 /nfs/dbraw/zinc/00/65/10/845006510.db2.gz OVYYQRAZAZFJNH-LBPRGKRZSA-N 1 2 294.380 0.964 20 30 CCEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959196 845006515 /nfs/dbraw/zinc/00/65/15/845006515.db2.gz OVYYQRAZAZFJNH-LBPRGKRZSA-N 1 2 294.380 0.964 20 30 CCEDLO Cc1ncc(C(=O)NCCc2cn(C)c[nH+]2)cc1C#N ZINC001192296471 845817945 /nfs/dbraw/zinc/81/79/45/845817945.db2.gz JLNVIQAMNROXPT-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001192762264 845903608 /nfs/dbraw/zinc/90/36/08/845903608.db2.gz TYHQQYUKZAHROD-GHMZBOCLSA-N 1 2 292.301 0.760 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001192762264 845903617 /nfs/dbraw/zinc/90/36/17/845903617.db2.gz TYHQQYUKZAHROD-GHMZBOCLSA-N 1 2 292.301 0.760 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193005300 845954233 /nfs/dbraw/zinc/95/42/33/845954233.db2.gz RLXHBPGNYNXYBL-UHFFFAOYSA-N 1 2 284.341 0.178 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273669407 846200059 /nfs/dbraw/zinc/20/00/59/846200059.db2.gz SWRIPFLQPKXGDG-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1cncc(C#N)c1 ZINC001194113283 846215835 /nfs/dbraw/zinc/21/58/35/846215835.db2.gz LSMGTBFWBBGADD-UHFFFAOYSA-N 1 2 285.307 0.726 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629857 846332954 /nfs/dbraw/zinc/33/29/54/846332954.db2.gz SZJVZUYKCMFSGL-LBPRGKRZSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629857 846332960 /nfs/dbraw/zinc/33/29/60/846332960.db2.gz SZJVZUYKCMFSGL-LBPRGKRZSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)OC)CC1 ZINC001195045131 846446428 /nfs/dbraw/zinc/44/64/28/846446428.db2.gz VMPWAQYGDHBPLM-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)OC)CC1 ZINC001195045131 846446438 /nfs/dbraw/zinc/44/64/38/846446438.db2.gz VMPWAQYGDHBPLM-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)COCC=C)CC1 ZINC001195314691 846504437 /nfs/dbraw/zinc/50/44/37/846504437.db2.gz SEQVDKSPNVEMTE-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)COCC=C)CC1 ZINC001195314691 846504443 /nfs/dbraw/zinc/50/44/43/846504443.db2.gz SEQVDKSPNVEMTE-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195754220 846610576 /nfs/dbraw/zinc/61/05/76/846610576.db2.gz JQOBHZFHWUMVQL-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195754220 846610572 /nfs/dbraw/zinc/61/05/72/846610572.db2.gz JQOBHZFHWUMVQL-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195791513 846624818 /nfs/dbraw/zinc/62/48/18/846624818.db2.gz DGJCPXUJFZOUBB-LBPRGKRZSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195791513 846624821 /nfs/dbraw/zinc/62/48/21/846624821.db2.gz DGJCPXUJFZOUBB-LBPRGKRZSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001195888111 846637669 /nfs/dbraw/zinc/63/76/69/846637669.db2.gz FFPIZUGNADBXFI-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001195888111 846637678 /nfs/dbraw/zinc/63/76/78/846637678.db2.gz FFPIZUGNADBXFI-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273714275 846695395 /nfs/dbraw/zinc/69/53/95/846695395.db2.gz XQAMPBVMRBLSRU-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311040 846789693 /nfs/dbraw/zinc/78/96/93/846789693.db2.gz HGPOJIQIHCLGJE-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311040 846789706 /nfs/dbraw/zinc/78/97/06/846789706.db2.gz HGPOJIQIHCLGJE-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114311040 846789715 /nfs/dbraw/zinc/78/97/15/846789715.db2.gz HGPOJIQIHCLGJE-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114311040 846789728 /nfs/dbraw/zinc/78/97/28/846789728.db2.gz HGPOJIQIHCLGJE-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001196752316 846798882 /nfs/dbraw/zinc/79/88/82/846798882.db2.gz FONLEFWFNKKOPN-SNVBAGLBSA-N 1 2 287.791 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001196752316 846798886 /nfs/dbraw/zinc/79/88/86/846798886.db2.gz FONLEFWFNKKOPN-SNVBAGLBSA-N 1 2 287.791 0.785 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752313 846799916 /nfs/dbraw/zinc/79/99/16/846799916.db2.gz FONLEFWFNKKOPN-JTQLQIEISA-N 1 2 287.791 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001196752313 846799922 /nfs/dbraw/zinc/79/99/22/846799922.db2.gz FONLEFWFNKKOPN-JTQLQIEISA-N 1 2 287.791 0.785 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196889315 846810414 /nfs/dbraw/zinc/81/04/14/846810414.db2.gz BHSFLKWFEVYNGN-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196889315 846810421 /nfs/dbraw/zinc/81/04/21/846810421.db2.gz BHSFLKWFEVYNGN-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197149771 846856876 /nfs/dbraw/zinc/85/68/76/846856876.db2.gz QHGYBLZIIPEOTH-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197149771 846856884 /nfs/dbraw/zinc/85/68/84/846856884.db2.gz QHGYBLZIIPEOTH-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCC(C)CC2)C1 ZINC001199405385 847325027 /nfs/dbraw/zinc/32/50/27/847325027.db2.gz BSSGMWMMUARMPL-NEXFUWMNSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCC(C)CC2)C1 ZINC001199405385 847325039 /nfs/dbraw/zinc/32/50/39/847325039.db2.gz BSSGMWMMUARMPL-NEXFUWMNSA-N 1 2 294.395 0.376 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NC[C@@H]2CCCO2)CC1 ZINC001200016925 847506508 /nfs/dbraw/zinc/50/65/08/847506508.db2.gz NTOTYZDCOORMKB-LBPRGKRZSA-N 1 2 269.414 0.844 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NCCC(=O)OCC)CC1 ZINC001200167025 847552720 /nfs/dbraw/zinc/55/27/20/847552720.db2.gz HEXNHAWHMQKLIU-UHFFFAOYSA-N 1 2 285.413 0.618 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N)s1 ZINC001273909543 847819603 /nfs/dbraw/zinc/81/96/03/847819603.db2.gz HVQKPIZQJAFCQD-NWALNABHSA-N 1 2 279.369 0.768 20 30 CCEDLO C#CCN1c2ccccc2[C@]2(CC[N@@H+](CC(=O)OC)C2)C1=O ZINC001273931490 847861966 /nfs/dbraw/zinc/86/19/66/847861966.db2.gz LKUHXHULVJTBCF-QGZVFWFLSA-N 1 2 298.342 0.783 20 30 CCEDLO C#CCN1c2ccccc2[C@]2(CC[N@H+](CC(=O)OC)C2)C1=O ZINC001273931490 847861972 /nfs/dbraw/zinc/86/19/72/847861972.db2.gz LKUHXHULVJTBCF-QGZVFWFLSA-N 1 2 298.342 0.783 20 30 CCEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931269 847865173 /nfs/dbraw/zinc/86/51/73/847865173.db2.gz HLGFNIGAGDFZDP-GFCCVEGCSA-N 1 2 280.368 0.954 20 30 CCEDLO Cc1nc(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cc[nH+]1 ZINC001066603230 847995917 /nfs/dbraw/zinc/99/59/17/847995917.db2.gz XFCOYQJOTCORQZ-JQWIXIFHSA-N 1 2 289.339 0.584 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cccnc3C#N)C[C@@H](C1)O2 ZINC001274015933 848301577 /nfs/dbraw/zinc/30/15/77/848301577.db2.gz JMLHMQVIEKKCLU-PHIMTYICSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3C#N)C[C@@H](C1)O2 ZINC001274015933 848301583 /nfs/dbraw/zinc/30/15/83/848301583.db2.gz JMLHMQVIEKKCLU-PHIMTYICSA-N 1 2 272.308 0.108 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ncc(C)o1 ZINC001274017708 848305523 /nfs/dbraw/zinc/30/55/23/848305523.db2.gz VJLBZQDCLZYTAP-URWSZGRFSA-N 1 2 291.351 0.783 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001274615324 848524853 /nfs/dbraw/zinc/52/48/53/848524853.db2.gz RYXNTKMXZNZOND-AWEZNQCLSA-N 1 2 282.384 0.637 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275028899 848617424 /nfs/dbraw/zinc/61/74/24/848617424.db2.gz NGCAXDIPJBEFFV-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275028899 848617427 /nfs/dbraw/zinc/61/74/27/848617427.db2.gz NGCAXDIPJBEFFV-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275028899 848617430 /nfs/dbraw/zinc/61/74/30/848617430.db2.gz NGCAXDIPJBEFFV-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275028899 848617433 /nfs/dbraw/zinc/61/74/33/848617433.db2.gz NGCAXDIPJBEFFV-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001275403723 848710455 /nfs/dbraw/zinc/71/04/55/848710455.db2.gz LDKNDTBNOOXFPJ-GHMZBOCLSA-N 1 2 296.396 0.561 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001275818412 848835405 /nfs/dbraw/zinc/83/54/05/848835405.db2.gz JICJHCOZRGAQIR-SWLSCSKDSA-N 1 2 294.399 0.684 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001275818412 848835407 /nfs/dbraw/zinc/83/54/07/848835407.db2.gz JICJHCOZRGAQIR-SWLSCSKDSA-N 1 2 294.399 0.684 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001276168981 848946553 /nfs/dbraw/zinc/94/65/53/848946553.db2.gz UWLWJNRCCOZUIC-UHFFFAOYSA-N 1 2 294.403 0.751 20 30 CCEDLO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001276290404 848986368 /nfs/dbraw/zinc/98/63/68/848986368.db2.gz QQIUWJRQAMRADO-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001276290404 848986371 /nfs/dbraw/zinc/98/63/71/848986371.db2.gz QQIUWJRQAMRADO-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095638746 849002879 /nfs/dbraw/zinc/00/28/79/849002879.db2.gz DIGTYNOHBCJBHW-GFCCVEGCSA-N 1 2 290.367 0.766 20 30 CCEDLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001037990132 849624398 /nfs/dbraw/zinc/62/43/98/849624398.db2.gz JZSPZFIQPODUHI-STQMWFEESA-N 1 2 275.356 0.623 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001038027752 849648837 /nfs/dbraw/zinc/64/88/37/849648837.db2.gz NXOOVIFIANEFCY-CYBMUJFWSA-N 1 2 259.309 0.147 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001038027752 849648843 /nfs/dbraw/zinc/64/88/43/849648843.db2.gz NXOOVIFIANEFCY-CYBMUJFWSA-N 1 2 259.309 0.147 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001038631569 849740677 /nfs/dbraw/zinc/74/06/77/849740677.db2.gz LIVCWWLNAPSQBP-CYBMUJFWSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001038631569 849740680 /nfs/dbraw/zinc/74/06/80/849740680.db2.gz LIVCWWLNAPSQBP-CYBMUJFWSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001038421664 849890038 /nfs/dbraw/zinc/89/00/38/849890038.db2.gz JBFKJCVKHCOZTD-NSHDSACASA-N 1 2 276.340 0.004 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001038421664 849890040 /nfs/dbraw/zinc/89/00/40/849890040.db2.gz JBFKJCVKHCOZTD-NSHDSACASA-N 1 2 276.340 0.004 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421884 849890187 /nfs/dbraw/zinc/89/01/87/849890187.db2.gz LLTVBPLBDKTSLV-LBPRGKRZSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421884 849890194 /nfs/dbraw/zinc/89/01/94/849890194.db2.gz LLTVBPLBDKTSLV-LBPRGKRZSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038656649 849970168 /nfs/dbraw/zinc/97/01/68/849970168.db2.gz HGGAJCUTKMMZDD-LLVKDONJSA-N 1 2 270.292 0.660 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038656649 849970172 /nfs/dbraw/zinc/97/01/72/849970172.db2.gz HGGAJCUTKMMZDD-LLVKDONJSA-N 1 2 270.292 0.660 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038690910 849984116 /nfs/dbraw/zinc/98/41/16/849984116.db2.gz DAMPOOGCODCKAC-LBPRGKRZSA-N 1 2 289.383 0.688 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038690910 849984121 /nfs/dbraw/zinc/98/41/21/849984121.db2.gz DAMPOOGCODCKAC-LBPRGKRZSA-N 1 2 289.383 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778467 850013702 /nfs/dbraw/zinc/01/37/02/850013702.db2.gz AQTAYHIKGHAWNX-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778467 850013705 /nfs/dbraw/zinc/01/37/05/850013705.db2.gz AQTAYHIKGHAWNX-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038874661 850063379 /nfs/dbraw/zinc/06/33/79/850063379.db2.gz ROSUTHQMFJOBHD-NSHDSACASA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038874661 850063388 /nfs/dbraw/zinc/06/33/88/850063388.db2.gz ROSUTHQMFJOBHD-NSHDSACASA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038903951 850077088 /nfs/dbraw/zinc/07/70/88/850077088.db2.gz DYKZDHYVHZUTPQ-LBPRGKRZSA-N 1 2 257.337 0.941 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038903951 850077098 /nfs/dbraw/zinc/07/70/98/850077098.db2.gz DYKZDHYVHZUTPQ-LBPRGKRZSA-N 1 2 257.337 0.941 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001038910217 850078991 /nfs/dbraw/zinc/07/89/91/850078991.db2.gz YSULAQSAOICAGG-DGCLKSJQSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001038910217 850078999 /nfs/dbraw/zinc/07/89/99/850078999.db2.gz YSULAQSAOICAGG-DGCLKSJQSA-N 1 2 272.352 0.338 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038964465 850101820 /nfs/dbraw/zinc/10/18/20/850101820.db2.gz RFHMZPKUMPHUAA-NSHDSACASA-N 1 2 271.324 0.490 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038964465 850101831 /nfs/dbraw/zinc/10/18/31/850101831.db2.gz RFHMZPKUMPHUAA-NSHDSACASA-N 1 2 271.324 0.490 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001038967910 850106245 /nfs/dbraw/zinc/10/62/45/850106245.db2.gz ICSGUDKWIVLFMN-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001038967910 850106248 /nfs/dbraw/zinc/10/62/48/850106248.db2.gz ICSGUDKWIVLFMN-NSHDSACASA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC ZINC001039101271 850155835 /nfs/dbraw/zinc/15/58/35/850155835.db2.gz DDCMYBFCYWJVNI-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC ZINC001039101271 850155839 /nfs/dbraw/zinc/15/58/39/850155839.db2.gz DDCMYBFCYWJVNI-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039384384 850182733 /nfs/dbraw/zinc/18/27/33/850182733.db2.gz SBBFBNMNBOXOHA-KGLIPLIRSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039384384 850182738 /nfs/dbraw/zinc/18/27/38/850182738.db2.gz SBBFBNMNBOXOHA-KGLIPLIRSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039412326 850186283 /nfs/dbraw/zinc/18/62/83/850186283.db2.gz LZJHWYGNKVMEBO-KGLIPLIRSA-N 1 2 287.367 0.862 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041523444 850458706 /nfs/dbraw/zinc/45/87/06/850458706.db2.gz OSGSLXXTQWXTMV-OAHLLOKOSA-N 1 2 287.367 0.721 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001041953873 850540323 /nfs/dbraw/zinc/54/03/23/850540323.db2.gz PFAXQSMVRBOLGH-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001041953873 850540328 /nfs/dbraw/zinc/54/03/28/850540328.db2.gz PFAXQSMVRBOLGH-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnns3)C[C@H]21 ZINC001041959487 850543046 /nfs/dbraw/zinc/54/30/46/850543046.db2.gz ZYARKFIZHVVRMT-GHMZBOCLSA-N 1 2 276.365 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnns3)C[C@H]21 ZINC001041959487 850543048 /nfs/dbraw/zinc/54/30/48/850543048.db2.gz ZYARKFIZHVVRMT-GHMZBOCLSA-N 1 2 276.365 0.708 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216161 850598190 /nfs/dbraw/zinc/59/81/90/850598190.db2.gz MMKPDIUXSGBQFA-AAEUAGOBSA-N 1 2 290.367 0.848 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216161 850598192 /nfs/dbraw/zinc/59/81/92/850598192.db2.gz MMKPDIUXSGBQFA-AAEUAGOBSA-N 1 2 290.367 0.848 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001042496923 850667795 /nfs/dbraw/zinc/66/77/95/850667795.db2.gz IVBPHLZQHGDQTA-GFCCVEGCSA-N 1 2 260.341 0.610 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)ncn2C)C1 ZINC001042993691 850791958 /nfs/dbraw/zinc/79/19/58/850791958.db2.gz JWLDZBSXPWDBMH-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCCNC2=O)C1 ZINC001043215067 850837213 /nfs/dbraw/zinc/83/72/13/850837213.db2.gz QEBCBPQNAXQFJA-UHFFFAOYSA-N 1 2 280.372 0.120 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)nc2)C1 ZINC001043274154 850843687 /nfs/dbraw/zinc/84/36/87/850843687.db2.gz DKVZYTZSYFJJAD-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001043267636 850844626 /nfs/dbraw/zinc/84/46/26/850844626.db2.gz FBFQBJNCLSKXEY-LBPRGKRZSA-N 1 2 294.399 0.496 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001043351028 850857314 /nfs/dbraw/zinc/85/73/14/850857314.db2.gz AEEWYEKOVIEFOV-UHFFFAOYSA-N 1 2 292.335 0.981 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(OC)n2)C1 ZINC001043482472 850880357 /nfs/dbraw/zinc/88/03/57/850880357.db2.gz IAVUYTHTGCTQPJ-UHFFFAOYSA-N 1 2 263.297 0.463 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001043513050 850888294 /nfs/dbraw/zinc/88/82/94/850888294.db2.gz KMVSXKAHQUWPGB-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(COC)on2)C1 ZINC001044018921 850985963 /nfs/dbraw/zinc/98/59/63/850985963.db2.gz QCTNGYJGMXNMHE-UHFFFAOYSA-N 1 2 277.324 0.601 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001044209360 851044994 /nfs/dbraw/zinc/04/49/94/851044994.db2.gz RSBMNMIJXWGDSX-UHFFFAOYSA-N 1 2 290.367 0.270 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001044244060 851049904 /nfs/dbraw/zinc/04/99/04/851049904.db2.gz FEJVLHJIJQDTSO-ZDUSSCGKSA-N 1 2 277.368 0.163 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001044278767 851060603 /nfs/dbraw/zinc/06/06/03/851060603.db2.gz ZJTHOBLIGOUFLT-UHFFFAOYSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)n(C)n2)C1 ZINC001044374689 851088393 /nfs/dbraw/zinc/08/83/93/851088393.db2.gz VMZISIMEIYKYPX-UHFFFAOYSA-N 1 2 274.368 0.762 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044836325 851166865 /nfs/dbraw/zinc/16/68/65/851166865.db2.gz JWYRGRKNYCAACC-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)C[C@@H]1C ZINC001044840644 851166901 /nfs/dbraw/zinc/16/69/01/851166901.db2.gz KQOIJCZHLOJDFD-JQWIXIFHSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046051940 851359354 /nfs/dbraw/zinc/35/93/54/851359354.db2.gz RVTRAPZANGAPOI-MGPQQGTHSA-N 1 2 276.384 0.384 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286189 851453517 /nfs/dbraw/zinc/45/35/17/851453517.db2.gz SKEUCINTWOORQN-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286189 851453528 /nfs/dbraw/zinc/45/35/28/851453528.db2.gz SKEUCINTWOORQN-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(F)cc2F)C1 ZINC001047429194 851762898 /nfs/dbraw/zinc/76/28/98/851762898.db2.gz PFLZHCRVVDJDPX-RYUDHWBXSA-N 1 2 295.289 0.110 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(F)cc2F)C1 ZINC001047429194 851762906 /nfs/dbraw/zinc/76/29/06/851762906.db2.gz PFLZHCRVVDJDPX-RYUDHWBXSA-N 1 2 295.289 0.110 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001047587919 851826310 /nfs/dbraw/zinc/82/63/10/851826310.db2.gz DQNVGROSOLZQRJ-RYUDHWBXSA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001047587919 851826314 /nfs/dbraw/zinc/82/63/14/851826314.db2.gz DQNVGROSOLZQRJ-RYUDHWBXSA-N 1 2 291.351 0.548 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001097362124 852532008 /nfs/dbraw/zinc/53/20/08/852532008.db2.gz QSQFDRHETKEEOO-MXYBEHONSA-N 1 2 299.378 0.691 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(F)F)CCO2 ZINC001053115484 852687319 /nfs/dbraw/zinc/68/73/19/852687319.db2.gz KVDSFMZPLJVHQA-UHFFFAOYSA-N 1 2 260.284 0.741 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc(C)c[nH]1)CCO2 ZINC001053464710 852747748 /nfs/dbraw/zinc/74/77/48/852747748.db2.gz ZAQXRRGJVVYDGX-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccon1)O2 ZINC001053574499 852762358 /nfs/dbraw/zinc/76/23/58/852762358.db2.gz CPMASFXLFMRRML-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn[nH]1)O2 ZINC001053578417 852764090 /nfs/dbraw/zinc/76/40/90/852764090.db2.gz GBFJCTAFMBPPRF-LLVKDONJSA-N 1 2 276.340 0.559 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCOC1)O2 ZINC001053580797 852766407 /nfs/dbraw/zinc/76/64/07/852766407.db2.gz JTNPEGFCUYJNEF-ZIAGYGMSSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCO1)CO2 ZINC001053729926 852793156 /nfs/dbraw/zinc/79/31/56/852793156.db2.gz VVKDAZRDGZDJHI-QWHCGFSZSA-N 1 2 280.368 0.701 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn[nH]1)CO2 ZINC001053744135 852798810 /nfs/dbraw/zinc/79/88/10/852798810.db2.gz HFAPGOUJAFBQJE-LLVKDONJSA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncnc1)CO2 ZINC001053785752 852819525 /nfs/dbraw/zinc/81/95/25/852819525.db2.gz PUVHNUWHRVXXLM-ZDUSSCGKSA-N 1 2 286.335 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]cc1F)CO2 ZINC001053917203 852844905 /nfs/dbraw/zinc/84/49/05/852844905.db2.gz DPSQQWBHXFVXBL-SNVBAGLBSA-N 1 2 294.330 0.698 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2C1 ZINC001054259413 852900144 /nfs/dbraw/zinc/90/01/44/852900144.db2.gz YWDVHUIJXPPPPK-OAHLLOKOSA-N 1 2 297.358 0.530 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2C1 ZINC001054259413 852900147 /nfs/dbraw/zinc/90/01/47/852900147.db2.gz YWDVHUIJXPPPPK-OAHLLOKOSA-N 1 2 297.358 0.530 20 30 CCEDLO N#Cc1cnccc1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001055842271 853123416 /nfs/dbraw/zinc/12/34/16/853123416.db2.gz MZYIHAUFJJGQTP-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001051056439 853513937 /nfs/dbraw/zinc/51/39/37/853513937.db2.gz OIHGBSILNZIQGD-LBPRGKRZSA-N 1 2 293.371 0.510 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001051056439 853513944 /nfs/dbraw/zinc/51/39/44/853513944.db2.gz OIHGBSILNZIQGD-LBPRGKRZSA-N 1 2 293.371 0.510 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001051225085 853548854 /nfs/dbraw/zinc/54/88/54/853548854.db2.gz CWUJNUPAZPFVEC-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001051225085 853548861 /nfs/dbraw/zinc/54/88/61/853548861.db2.gz CWUJNUPAZPFVEC-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccccn3)C2)CC1 ZINC001051968305 853666256 /nfs/dbraw/zinc/66/62/56/853666256.db2.gz BMWYMMCGUOAWRU-CQSZACIVSA-N 1 2 299.378 0.437 20 30 CCEDLO CS[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051988864 853669524 /nfs/dbraw/zinc/66/95/24/853669524.db2.gz AGABBRIHOSAZCX-CHWSQXEVSA-N 1 2 296.440 0.480 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051995952 853672117 /nfs/dbraw/zinc/67/21/17/853672117.db2.gz HJPJSATZPXCCLJ-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051995952 853672118 /nfs/dbraw/zinc/67/21/18/853672118.db2.gz HJPJSATZPXCCLJ-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001068028096 853871492 /nfs/dbraw/zinc/87/14/92/853871492.db2.gz LWMFQCBKUMZMAH-LLVKDONJSA-N 1 2 291.355 0.419 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](n2ccnn2)C1 ZINC001069894787 853994609 /nfs/dbraw/zinc/99/46/09/853994609.db2.gz LNQJSCCBNYBEHW-ZNMIVQPWSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](n2ccnn2)C1 ZINC001069894787 853994611 /nfs/dbraw/zinc/99/46/11/853994611.db2.gz LNQJSCCBNYBEHW-ZNMIVQPWSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(C)=O)C2)C(=O)C1 ZINC001071248947 854142138 /nfs/dbraw/zinc/14/21/38/854142138.db2.gz WHGWIWOGYQUFDI-CQSZACIVSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(C)=O)C2)C(=O)C1 ZINC001071248947 854142141 /nfs/dbraw/zinc/14/21/41/854142141.db2.gz WHGWIWOGYQUFDI-CQSZACIVSA-N 1 2 277.368 0.165 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071731423 854274056 /nfs/dbraw/zinc/27/40/56/854274056.db2.gz DGQSYDCUYGGFIH-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071731423 854274064 /nfs/dbraw/zinc/27/40/64/854274064.db2.gz DGQSYDCUYGGFIH-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074170264 854686209 /nfs/dbraw/zinc/68/62/09/854686209.db2.gz LFAAUACCQBVKOA-LSDHHAIUSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074170264 854686213 /nfs/dbraw/zinc/68/62/13/854686213.db2.gz LFAAUACCQBVKOA-LSDHHAIUSA-N 1 2 287.363 0.953 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099680826 854964249 /nfs/dbraw/zinc/96/42/49/854964249.db2.gz GXCMWANDJKIVIP-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099680826 854964256 /nfs/dbraw/zinc/96/42/56/854964256.db2.gz GXCMWANDJKIVIP-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO CN(CCNC(=O)C#CC1CC1)c1[nH+]cnc2c1cnn2C ZINC001100061006 855087815 /nfs/dbraw/zinc/08/78/15/855087815.db2.gz GLKRBEBGHHMCMO-UHFFFAOYSA-N 1 2 298.350 0.329 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC001102505732 855441954 /nfs/dbraw/zinc/44/19/54/855441954.db2.gz ARRRQEOMIHJITF-MWLCHTKSSA-N 1 2 297.790 0.784 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC001102505732 855441956 /nfs/dbraw/zinc/44/19/56/855441956.db2.gz ARRRQEOMIHJITF-MWLCHTKSSA-N 1 2 297.790 0.784 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(CCCSCC#N)CC1 ZINC001116346696 855750864 /nfs/dbraw/zinc/75/08/64/855750864.db2.gz YBXOHEBNMYJLHW-SFHVURJKSA-N 1 2 289.470 0.629 20 30 CCEDLO C[S@](=O)CCN1CC[NH+](CCCSCC#N)CC1 ZINC001116346696 855750866 /nfs/dbraw/zinc/75/08/66/855750866.db2.gz YBXOHEBNMYJLHW-SFHVURJKSA-N 1 2 289.470 0.629 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCc1c[nH+]cn1C ZINC001116957447 855877885 /nfs/dbraw/zinc/87/78/85/855877885.db2.gz ZSSPJRIVPBSZFV-UHFFFAOYSA-N 1 2 285.369 0.070 20 30 CCEDLO C=CCn1cc(CNCc2c[nH+]c3n2CCC3)nn1 ZINC001118484402 856309343 /nfs/dbraw/zinc/30/93/43/856309343.db2.gz HIAMDQASESUHFC-UHFFFAOYSA-N 1 2 258.329 0.897 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc(CCOC)n2)nn1 ZINC001119280323 856609352 /nfs/dbraw/zinc/60/93/52/856609352.db2.gz RHFBTDWQEMVDOE-UHFFFAOYSA-N 1 2 290.327 0.011 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC001119312570 856626864 /nfs/dbraw/zinc/62/68/64/856626864.db2.gz JURSMHYHGHDRKD-CYBMUJFWSA-N 1 2 262.357 0.281 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001119675945 856830218 /nfs/dbraw/zinc/83/02/18/856830218.db2.gz AWOOVPPAVCIYRY-OLZOCXBDSA-N 1 2 288.351 0.402 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323354868 912292928 /nfs/dbraw/zinc/29/29/28/912292928.db2.gz CKOVUQGKHFWHFR-GFCCVEGCSA-N 1 2 294.786 0.977 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323354868 912292948 /nfs/dbraw/zinc/29/29/48/912292948.db2.gz CKOVUQGKHFWHFR-GFCCVEGCSA-N 1 2 294.786 0.977 20 30 CCEDLO C=CCCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001323405906 912328683 /nfs/dbraw/zinc/32/86/83/912328683.db2.gz MDKBWQGHRFEHTH-UHFFFAOYSA-N 1 2 263.345 0.520 20 30 CCEDLO C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC001323800883 912525105 /nfs/dbraw/zinc/52/51/05/912525105.db2.gz KCYGQWRXDWXDPW-SECBINFHSA-N 1 2 271.342 0.026 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001323930864 912587936 /nfs/dbraw/zinc/58/79/36/912587936.db2.gz KDFKOPDPCITHPC-WFASDCNBSA-N 1 2 280.368 0.368 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001323979709 912609300 /nfs/dbraw/zinc/60/93/00/912609300.db2.gz RDTDXRXEMIRONH-DZGCQCFKSA-N 1 2 284.400 0.739 20 30 CCEDLO CCn1ncc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001393614561 912682623 /nfs/dbraw/zinc/68/26/23/912682623.db2.gz XDGUSHUTSHPKIB-GFCCVEGCSA-N 1 2 292.387 0.738 20 30 CCEDLO CCn1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001393614561 912682627 /nfs/dbraw/zinc/68/26/27/912682627.db2.gz XDGUSHUTSHPKIB-GFCCVEGCSA-N 1 2 292.387 0.738 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001324472046 912862670 /nfs/dbraw/zinc/86/26/70/912862670.db2.gz SXXFEEVMDLHPCW-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001324590626 912921543 /nfs/dbraw/zinc/92/15/43/912921543.db2.gz WETDIQIYYZNXDM-CQSZACIVSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001324590626 912921551 /nfs/dbraw/zinc/92/15/51/912921551.db2.gz WETDIQIYYZNXDM-CQSZACIVSA-N 1 2 293.371 0.155 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001325224378 913287320 /nfs/dbraw/zinc/28/73/20/913287320.db2.gz DXCIOLSWJCFNFB-UHFFFAOYSA-N 1 2 292.383 0.010 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001325262478 913305357 /nfs/dbraw/zinc/30/53/57/913305357.db2.gz CGWPQHYMHVIIHZ-VIFPVBQESA-N 1 2 278.274 0.371 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001325266082 913309525 /nfs/dbraw/zinc/30/95/25/913309525.db2.gz YFPDXAJDAASBHL-CHWSQXEVSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001325273543 913314145 /nfs/dbraw/zinc/31/41/45/913314145.db2.gz KQEULQHFAURTQQ-TZMCWYRMSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCN1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325281632 913320863 /nfs/dbraw/zinc/32/08/63/913320863.db2.gz TWNGXNUEODHUOY-LBPRGKRZSA-N 1 2 278.356 0.183 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001325308674 913335204 /nfs/dbraw/zinc/33/52/04/913335204.db2.gz PJFBORKXMYXHFJ-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncccn1 ZINC001481132262 892214903 /nfs/dbraw/zinc/21/49/03/892214903.db2.gz INHMZAZVNQDOIF-GFCCVEGCSA-N 1 2 275.356 0.964 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncccn1 ZINC001481132262 892214891 /nfs/dbraw/zinc/21/48/91/892214891.db2.gz INHMZAZVNQDOIF-GFCCVEGCSA-N 1 2 275.356 0.964 20 30 CCEDLO C#CCCCC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001481553169 892812475 /nfs/dbraw/zinc/81/24/75/892812475.db2.gz KNEOESGYYXBHDT-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001481551175 892815328 /nfs/dbraw/zinc/81/53/28/892815328.db2.gz YWZPEEYRZVCLOH-GFCCVEGCSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCC(=O)NC2CCCC2)C1 ZINC001481591716 892878092 /nfs/dbraw/zinc/87/80/92/892878092.db2.gz WBOICIPETIQPAG-UHFFFAOYSA-N 1 2 279.384 0.812 20 30 CCEDLO Cc1ncc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)o1 ZINC001481617320 892909396 /nfs/dbraw/zinc/90/93/96/892909396.db2.gz DRUMBASWGPHRPB-SECBINFHSA-N 1 2 262.313 0.691 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001481640010 892949186 /nfs/dbraw/zinc/94/91/86/892949186.db2.gz MYTNFRZKINYFSX-NSHDSACASA-N 1 2 267.373 0.383 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001481638317 892950092 /nfs/dbraw/zinc/95/00/92/892950092.db2.gz KKUUJYXPECJCAD-UHFFFAOYSA-N 1 2 281.400 0.771 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(=O)NCCC ZINC001481680876 892990309 /nfs/dbraw/zinc/99/03/09/892990309.db2.gz AVJQQCQTFAHTHR-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(=O)NCCC ZINC001481680876 892990318 /nfs/dbraw/zinc/99/03/18/892990318.db2.gz AVJQQCQTFAHTHR-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)F ZINC001481674813 892991712 /nfs/dbraw/zinc/99/17/12/892991712.db2.gz QLLFXIOCNSVPBR-RYUDHWBXSA-N 1 2 286.322 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)F ZINC001481674813 892991725 /nfs/dbraw/zinc/99/17/25/892991725.db2.gz QLLFXIOCNSVPBR-RYUDHWBXSA-N 1 2 286.322 0.967 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481693076 893019294 /nfs/dbraw/zinc/01/92/94/893019294.db2.gz ZRQSWMCCWSVWGF-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481693076 893019316 /nfs/dbraw/zinc/01/93/16/893019316.db2.gz ZRQSWMCCWSVWGF-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001496679546 893467182 /nfs/dbraw/zinc/46/71/82/893467182.db2.gz LRTFYXNTQNOFFS-RYUDHWBXSA-N 1 2 294.399 0.451 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)N[C@@H](C)C1CC1 ZINC001496679546 893467193 /nfs/dbraw/zinc/46/71/93/893467193.db2.gz LRTFYXNTQNOFFS-RYUDHWBXSA-N 1 2 294.399 0.451 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001482186428 893477420 /nfs/dbraw/zinc/47/74/20/893477420.db2.gz HOHFKQFUXDZGTA-AWEZNQCLSA-N 1 2 282.384 0.643 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001482186428 893477435 /nfs/dbraw/zinc/47/74/35/893477435.db2.gz HOHFKQFUXDZGTA-AWEZNQCLSA-N 1 2 282.384 0.643 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccns1 ZINC001482599785 894383531 /nfs/dbraw/zinc/38/35/31/894383531.db2.gz DGNXJQSJWCAXJZ-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccns1 ZINC001482599785 894383548 /nfs/dbraw/zinc/38/35/48/894383548.db2.gz DGNXJQSJWCAXJZ-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)C ZINC001482644015 894449165 /nfs/dbraw/zinc/44/91/65/894449165.db2.gz JMVLQMHCZDYZOE-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)C ZINC001482644015 894449168 /nfs/dbraw/zinc/44/91/68/894449168.db2.gz JMVLQMHCZDYZOE-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@H](C)C#N ZINC001482914486 894694613 /nfs/dbraw/zinc/69/46/13/894694613.db2.gz OPEIEMLKRFRPPB-LLVKDONJSA-N 1 2 261.329 0.574 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001483005914 894796245 /nfs/dbraw/zinc/79/62/45/894796245.db2.gz IMWQARXRFMSBFQ-ONEGZZNKSA-N 1 2 272.352 0.898 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409350673 895149142 /nfs/dbraw/zinc/14/91/42/895149142.db2.gz BNKKSDSBJXUTDE-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409350673 895149153 /nfs/dbraw/zinc/14/91/53/895149153.db2.gz BNKKSDSBJXUTDE-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001396808624 913962658 /nfs/dbraw/zinc/96/26/58/913962658.db2.gz ZCVBNWIMHVIFOZ-JQWIXIFHSA-N 1 2 289.339 0.171 20 30 CCEDLO CN(CCCNCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483476910 895598913 /nfs/dbraw/zinc/59/89/13/895598913.db2.gz LEJQXJICCAONRM-GFCCVEGCSA-N 1 2 275.356 0.407 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCCCN1CCOCC1 ZINC001483687315 895855933 /nfs/dbraw/zinc/85/59/33/895855933.db2.gz GBAKWSBBSTXWNK-OAHLLOKOSA-N 1 2 295.427 0.865 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)CCCCN1CCOCC1 ZINC001483687315 895855946 /nfs/dbraw/zinc/85/59/46/895855946.db2.gz GBAKWSBBSTXWNK-OAHLLOKOSA-N 1 2 295.427 0.865 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cn2nccc2C)C1 ZINC001483881781 896104014 /nfs/dbraw/zinc/10/40/14/896104014.db2.gz KNBIVKZOJPVVTD-UHFFFAOYSA-N 1 2 292.383 0.537 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](O)C(C)C)O2 ZINC001484781474 896597997 /nfs/dbraw/zinc/59/79/97/896597997.db2.gz GVWNBQPAVIWWDW-UONOGXRCSA-N 1 2 296.411 0.929 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2CC3(CC3)C2)C1 ZINC001485416469 897044514 /nfs/dbraw/zinc/04/45/14/897044514.db2.gz IBERAMXMPLEORT-UHFFFAOYSA-N 1 2 276.380 0.753 20 30 CCEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001485499845 897087467 /nfs/dbraw/zinc/08/74/67/897087467.db2.gz UKJZFVBCLXMLAD-LLVKDONJSA-N 1 2 277.372 0.718 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869971 897399598 /nfs/dbraw/zinc/39/95/98/897399598.db2.gz LJPWRUKCSLJFCC-DZGCQCFKSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869971 897399614 /nfs/dbraw/zinc/39/96/14/897399614.db2.gz LJPWRUKCSLJFCC-DZGCQCFKSA-N 1 2 282.384 0.949 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1ccc(C#N)nn1 ZINC001107869037 897400904 /nfs/dbraw/zinc/40/09/04/897400904.db2.gz HVMMZFDGBHQJOT-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001107880060 897420696 /nfs/dbraw/zinc/42/06/96/897420696.db2.gz GLVWLIQOTOLBLR-HOTGVXAUSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001107880060 897420705 /nfs/dbraw/zinc/42/07/05/897420705.db2.gz GLVWLIQOTOLBLR-HOTGVXAUSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001107882708 897431013 /nfs/dbraw/zinc/43/10/13/897431013.db2.gz AGAOQRPXFXPTPI-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001107882708 897431017 /nfs/dbraw/zinc/43/10/17/897431017.db2.gz AGAOQRPXFXPTPI-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@](C)(O)C=C)C1 ZINC001107903677 897472812 /nfs/dbraw/zinc/47/28/12/897472812.db2.gz WRRIBBFJZVQQFS-HUUCEWRRSA-N 1 2 282.384 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@](C)(O)C=C)C1 ZINC001107903677 897472816 /nfs/dbraw/zinc/47/28/16/897472816.db2.gz WRRIBBFJZVQQFS-HUUCEWRRSA-N 1 2 282.384 0.707 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001032443461 897575068 /nfs/dbraw/zinc/57/50/68/897575068.db2.gz WPXMSFDFRDOMGK-KBPBESRZSA-N 1 2 299.378 0.464 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001032443461 897575077 /nfs/dbraw/zinc/57/50/77/897575077.db2.gz WPXMSFDFRDOMGK-KBPBESRZSA-N 1 2 299.378 0.464 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001077805925 897608681 /nfs/dbraw/zinc/60/86/81/897608681.db2.gz SYTMYOHGQBRJIC-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001077805925 897608689 /nfs/dbraw/zinc/60/86/89/897608689.db2.gz SYTMYOHGQBRJIC-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272772382 897643229 /nfs/dbraw/zinc/64/32/29/897643229.db2.gz JJMBRTMSZPLDGC-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@]2(CC[N@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272772382 897643238 /nfs/dbraw/zinc/64/32/38/897643238.db2.gz JJMBRTMSZPLDGC-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001032488730 897643914 /nfs/dbraw/zinc/64/39/14/897643914.db2.gz PBARBAXRMUGHMH-QWRGUYRKSA-N 1 2 297.318 0.195 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001032488730 897643918 /nfs/dbraw/zinc/64/39/18/897643918.db2.gz PBARBAXRMUGHMH-QWRGUYRKSA-N 1 2 297.318 0.195 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)oc1C ZINC001032509591 897668236 /nfs/dbraw/zinc/66/82/36/897668236.db2.gz NWAGQBZQDGACGV-STQMWFEESA-N 1 2 286.331 0.789 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)oc1C ZINC001032509591 897668245 /nfs/dbraw/zinc/66/82/45/897668245.db2.gz NWAGQBZQDGACGV-STQMWFEESA-N 1 2 286.331 0.789 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2ccccn21 ZINC001032518062 897689640 /nfs/dbraw/zinc/68/96/40/897689640.db2.gz ACOWTRBEJWBSIZ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2ccccn21 ZINC001032518062 897689648 /nfs/dbraw/zinc/68/96/48/897689648.db2.gz ACOWTRBEJWBSIZ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCO3)C1 ZINC001042934210 897729791 /nfs/dbraw/zinc/72/97/91/897729791.db2.gz AIZFFTXHTXYDQS-UHFFFAOYSA-N 1 2 274.324 0.055 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C(C)C ZINC001032604931 897812201 /nfs/dbraw/zinc/81/22/01/897812201.db2.gz OCHVLJCWNCUXCA-AVGNSLFASA-N 1 2 250.342 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C(C)C ZINC001032604931 897812211 /nfs/dbraw/zinc/81/22/11/897812211.db2.gz OCHVLJCWNCUXCA-AVGNSLFASA-N 1 2 250.342 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001077819700 897844909 /nfs/dbraw/zinc/84/49/09/897844909.db2.gz KFRHVMOTXQCAON-YLFCFFPRSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001077819700 897844917 /nfs/dbraw/zinc/84/49/17/897844917.db2.gz KFRHVMOTXQCAON-YLFCFFPRSA-N 1 2 298.386 0.893 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032668214 897920577 /nfs/dbraw/zinc/92/05/77/897920577.db2.gz XZFQUNOFTZOICV-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032668214 897920585 /nfs/dbraw/zinc/92/05/85/897920585.db2.gz XZFQUNOFTZOICV-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001077845033 897974146 /nfs/dbraw/zinc/97/41/46/897974146.db2.gz HMKQTGNCGIVWMI-KCPJHIHWSA-N 1 2 290.363 0.794 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001077845033 897974157 /nfs/dbraw/zinc/97/41/57/897974157.db2.gz HMKQTGNCGIVWMI-KCPJHIHWSA-N 1 2 290.363 0.794 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CCCC ZINC001272859466 898085820 /nfs/dbraw/zinc/08/58/20/898085820.db2.gz RBPDWPWTHGNTQH-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CCCC ZINC001272859466 898085831 /nfs/dbraw/zinc/08/58/31/898085831.db2.gz RBPDWPWTHGNTQH-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001077966690 898119583 /nfs/dbraw/zinc/11/95/83/898119583.db2.gz CMQUDJJGYJOMAI-VXGBXAGGSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001077966690 898119588 /nfs/dbraw/zinc/11/95/88/898119588.db2.gz CMQUDJJGYJOMAI-VXGBXAGGSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001077966690 898119592 /nfs/dbraw/zinc/11/95/92/898119592.db2.gz CMQUDJJGYJOMAI-VXGBXAGGSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001077966690 898119595 /nfs/dbraw/zinc/11/95/95/898119595.db2.gz CMQUDJJGYJOMAI-VXGBXAGGSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001078070156 898216226 /nfs/dbraw/zinc/21/62/26/898216226.db2.gz WDSMKQJUBGEHBB-VXGBXAGGSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001078070156 898216241 /nfs/dbraw/zinc/21/62/41/898216241.db2.gz WDSMKQJUBGEHBB-VXGBXAGGSA-N 1 2 280.274 0.373 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001078188816 898287385 /nfs/dbraw/zinc/28/73/85/898287385.db2.gz SFORTMLEWOTMOB-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001078188816 898287400 /nfs/dbraw/zinc/28/74/00/898287400.db2.gz SFORTMLEWOTMOB-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1cccnc1)N(C)C ZINC001032804482 898384497 /nfs/dbraw/zinc/38/44/97/898384497.db2.gz IXUHUUTZIGKBBZ-JYJNAYRXSA-N 1 2 298.390 0.603 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1cccnc1)N(C)C ZINC001032804482 898384505 /nfs/dbraw/zinc/38/45/05/898384505.db2.gz IXUHUUTZIGKBBZ-JYJNAYRXSA-N 1 2 298.390 0.603 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001485999755 898586826 /nfs/dbraw/zinc/58/68/26/898586826.db2.gz DVBRBOSYAJCLNX-LLVKDONJSA-N 1 2 295.387 0.282 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)OCC)C2)CC1 ZINC001327081399 914358843 /nfs/dbraw/zinc/35/88/43/914358843.db2.gz IAIUDOAGINWYQQ-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@@H]1CC ZINC001489105337 900432567 /nfs/dbraw/zinc/43/25/67/900432567.db2.gz DTOVSPHPQXJCSH-QWHCGFSZSA-N 1 2 294.355 0.741 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@@H]1CC ZINC001489105337 900432573 /nfs/dbraw/zinc/43/25/73/900432573.db2.gz DTOVSPHPQXJCSH-QWHCGFSZSA-N 1 2 294.355 0.741 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001490163858 900548712 /nfs/dbraw/zinc/54/87/12/900548712.db2.gz DGSHYMLLOSRGBI-QWRGUYRKSA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001490163858 900548716 /nfs/dbraw/zinc/54/87/16/900548716.db2.gz DGSHYMLLOSRGBI-QWRGUYRKSA-N 1 2 278.360 0.474 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccncn2)C1 ZINC001490453234 900621579 /nfs/dbraw/zinc/62/15/79/900621579.db2.gz XWBKFMYRIJHFGG-CYBMUJFWSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccncn2)C1 ZINC001490453234 900621584 /nfs/dbraw/zinc/62/15/84/900621584.db2.gz XWBKFMYRIJHFGG-CYBMUJFWSA-N 1 2 288.351 0.321 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CCOCC2CC2)CC1 ZINC001490492699 900640956 /nfs/dbraw/zinc/64/09/56/900640956.db2.gz QJVANRRFNXKJBH-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)COC)CCO2 ZINC001327315490 914477224 /nfs/dbraw/zinc/47/72/24/914477224.db2.gz UUPXTZKXYHXKIM-ZDUSSCGKSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(C)=O)O2 ZINC001327345823 914491118 /nfs/dbraw/zinc/49/11/18/914491118.db2.gz VTXXWYOVCUWHQD-ZDUSSCGKSA-N 1 2 268.357 0.559 20 30 CCEDLO C#CCCCC(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001299374994 900956207 /nfs/dbraw/zinc/95/62/07/900956207.db2.gz LUXQSLFBMZETHQ-UHFFFAOYSA-N 1 2 288.351 0.356 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001398245726 914585787 /nfs/dbraw/zinc/58/57/87/914585787.db2.gz WZCCCJAAKSNRQO-SNVBAGLBSA-N 1 2 288.779 0.378 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001398245726 914585802 /nfs/dbraw/zinc/58/58/02/914585802.db2.gz WZCCCJAAKSNRQO-SNVBAGLBSA-N 1 2 288.779 0.378 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327534255 914598449 /nfs/dbraw/zinc/59/84/49/914598449.db2.gz DIPAVPXPLYFEKT-OLZOCXBDSA-N 1 2 283.372 0.304 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001490934598 903264595 /nfs/dbraw/zinc/26/45/95/903264595.db2.gz OKVQOKKOJRFGNJ-GMTAPVOTSA-N 1 2 261.329 0.349 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001490934598 903264607 /nfs/dbraw/zinc/26/46/07/903264607.db2.gz OKVQOKKOJRFGNJ-GMTAPVOTSA-N 1 2 261.329 0.349 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001281020107 904199755 /nfs/dbraw/zinc/19/97/55/904199755.db2.gz OZFWSFLBYLOAIW-GFCCVEGCSA-N 1 2 294.355 0.049 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)CC)C1 ZINC001282690175 904518843 /nfs/dbraw/zinc/51/88/43/904518843.db2.gz QMTBOYLBRYISEE-NWDGAFQWSA-N 1 2 281.400 0.771 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001377374873 904815973 /nfs/dbraw/zinc/81/59/73/904815973.db2.gz DMQWKQSYNSCSHZ-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001377374873 904815990 /nfs/dbraw/zinc/81/59/90/904815990.db2.gz DMQWKQSYNSCSHZ-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001377382672 904821243 /nfs/dbraw/zinc/82/12/43/904821243.db2.gz LDQKGEHTUCPXMX-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001377382672 904821263 /nfs/dbraw/zinc/82/12/63/904821263.db2.gz LDQKGEHTUCPXMX-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001284287184 905238266 /nfs/dbraw/zinc/23/82/66/905238266.db2.gz SLCUNGOHDWYEKJ-GFCCVEGCSA-N 1 2 290.367 0.387 20 30 CCEDLO CNC(=O)C[N@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001284530577 905360721 /nfs/dbraw/zinc/36/07/21/905360721.db2.gz VHYBNDXCBYRFTP-LLVKDONJSA-N 1 2 268.361 0.061 20 30 CCEDLO CNC(=O)C[N@@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001284530577 905360738 /nfs/dbraw/zinc/36/07/38/905360738.db2.gz VHYBNDXCBYRFTP-LLVKDONJSA-N 1 2 268.361 0.061 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001285761254 905755735 /nfs/dbraw/zinc/75/57/35/905755735.db2.gz DYXVFWWJLHVPQV-NSHDSACASA-N 1 2 292.383 0.796 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(F)(F)C2(O)CCC2)CC1 ZINC001293716329 906509312 /nfs/dbraw/zinc/50/93/12/906509312.db2.gz XGLJADPZMQBVEK-UHFFFAOYSA-N 1 2 286.322 0.704 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(F)(F)C2(O)CCC2)CC1 ZINC001293716329 906509321 /nfs/dbraw/zinc/50/93/21/906509321.db2.gz XGLJADPZMQBVEK-UHFFFAOYSA-N 1 2 286.322 0.704 20 30 CCEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001296825026 906965363 /nfs/dbraw/zinc/96/53/63/906965363.db2.gz OINBVVOZZLDBKC-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001299069495 907380394 /nfs/dbraw/zinc/38/03/94/907380394.db2.gz ZQKXWQGEKZZAEH-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001382203454 907618384 /nfs/dbraw/zinc/61/83/84/907618384.db2.gz CHSRDLJGBITGTF-BQBZGAKWSA-N 1 2 292.660 0.706 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCOC[C@H]1C ZINC001492407718 907911351 /nfs/dbraw/zinc/91/13/51/907911351.db2.gz ZKDWTPOOUIVENU-OLZOCXBDSA-N 1 2 297.399 0.009 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCOC[C@H]1C ZINC001492407718 907911357 /nfs/dbraw/zinc/91/13/57/907911357.db2.gz ZKDWTPOOUIVENU-OLZOCXBDSA-N 1 2 297.399 0.009 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC001338207647 921399936 /nfs/dbraw/zinc/39/99/36/921399936.db2.gz MVWJMBDIHGNIBJ-UHFFFAOYSA-N 1 2 277.368 0.163 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001313445131 908670226 /nfs/dbraw/zinc/67/02/26/908670226.db2.gz RUZXETJJRGQORO-UHFFFAOYSA-N 1 2 292.387 0.301 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001316975053 908711634 /nfs/dbraw/zinc/71/16/34/908711634.db2.gz XGRWXURECAPTKY-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001316975053 908711646 /nfs/dbraw/zinc/71/16/46/908711646.db2.gz XGRWXURECAPTKY-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@H](C)C#N)[C@H](C)c1nnnn1C ZINC001316888695 908819880 /nfs/dbraw/zinc/81/98/80/908819880.db2.gz OASIWCONHIIHBQ-GHMZBOCLSA-N 1 2 293.375 0.259 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@H](C)C#N)[C@H](C)c1nnnn1C ZINC001316888695 908819889 /nfs/dbraw/zinc/81/98/89/908819889.db2.gz OASIWCONHIIHBQ-GHMZBOCLSA-N 1 2 293.375 0.259 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001317239000 909080642 /nfs/dbraw/zinc/08/06/42/909080642.db2.gz POTGIZGTWWFPJO-SNVBAGLBSA-N 1 2 266.370 0.792 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001387525157 909148830 /nfs/dbraw/zinc/14/88/30/909148830.db2.gz BEEVOEPVCHQUOM-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001317448112 909219648 /nfs/dbraw/zinc/21/96/48/909219648.db2.gz NUAAZOSZZORIBY-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001317448112 909219664 /nfs/dbraw/zinc/21/96/64/909219664.db2.gz NUAAZOSZZORIBY-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001317498357 909266407 /nfs/dbraw/zinc/26/64/07/909266407.db2.gz RGHWJIPYBMDVMG-NWDGAFQWSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001317498357 909266423 /nfs/dbraw/zinc/26/64/23/909266423.db2.gz RGHWJIPYBMDVMG-NWDGAFQWSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001317503850 909270611 /nfs/dbraw/zinc/27/06/11/909270611.db2.gz TVVLJGMEAXNJBT-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001317503850 909270629 /nfs/dbraw/zinc/27/06/29/909270629.db2.gz TVVLJGMEAXNJBT-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520495 909287199 /nfs/dbraw/zinc/28/71/99/909287199.db2.gz NDEAKTORILWPDT-DTWKUNHWSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520495 909287214 /nfs/dbraw/zinc/28/72/14/909287214.db2.gz NDEAKTORILWPDT-DTWKUNHWSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001317520495 909287229 /nfs/dbraw/zinc/28/72/29/909287229.db2.gz NDEAKTORILWPDT-DTWKUNHWSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001317520495 909287247 /nfs/dbraw/zinc/28/72/47/909287247.db2.gz NDEAKTORILWPDT-DTWKUNHWSA-N 1 2 266.238 0.958 20 30 CCEDLO C/C=C(\C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317816772 909511620 /nfs/dbraw/zinc/51/16/20/909511620.db2.gz NCVJRUAENHCIJU-YIXHJXPBSA-N 1 2 264.373 0.552 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@H](C)OC)CC1 ZINC001317817048 909512144 /nfs/dbraw/zinc/51/21/44/909512144.db2.gz UOCLJMUTKUWATJ-AWEZNQCLSA-N 1 2 283.416 0.673 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)on3)n2C)CC1 ZINC001338566966 921510326 /nfs/dbraw/zinc/51/03/26/921510326.db2.gz RZXZRHDVFKDZRV-UHFFFAOYSA-N 1 2 286.339 0.534 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CCCC(C)C)C1 ZINC001318155814 909644628 /nfs/dbraw/zinc/64/46/28/909644628.db2.gz UTGOPFBVVOCFHQ-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCN(CC#N)C1 ZINC001318474519 909775663 /nfs/dbraw/zinc/77/56/63/909775663.db2.gz UTVILMZXCNBHMQ-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001318474519 909775685 /nfs/dbraw/zinc/77/56/85/909775685.db2.gz UTVILMZXCNBHMQ-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)[C@H](O)CC)n2C)CC1 ZINC001338696488 921546513 /nfs/dbraw/zinc/54/65/13/921546513.db2.gz KLDODZDZTKMUIN-QWHCGFSZSA-N 1 2 291.399 0.445 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001320012008 910414220 /nfs/dbraw/zinc/41/42/20/910414220.db2.gz NDQLEBGKNNMQNS-NSHDSACASA-N 1 2 250.302 0.833 20 30 CCEDLO CCc1noc(C[NH2+]CCN(CC)C(=O)[C@H](C)C#N)n1 ZINC001320694729 910808795 /nfs/dbraw/zinc/80/87/95/910808795.db2.gz WFXVSAOZGHKPOG-SNVBAGLBSA-N 1 2 279.344 0.730 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001391080385 910858063 /nfs/dbraw/zinc/85/80/63/910858063.db2.gz WGJXMRDKFVBIEZ-ONGXEEELSA-N 1 2 276.344 0.211 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001391080385 910858073 /nfs/dbraw/zinc/85/80/73/910858073.db2.gz WGJXMRDKFVBIEZ-ONGXEEELSA-N 1 2 276.344 0.211 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001391207407 910967183 /nfs/dbraw/zinc/96/71/83/910967183.db2.gz FGANKMFLROVHJA-VHSXEESVSA-N 1 2 279.344 0.901 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001321122657 911101789 /nfs/dbraw/zinc/10/17/89/911101789.db2.gz RJNSKRLOPPOBOQ-LLVKDONJSA-N 1 2 264.329 0.585 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001321122657 911101797 /nfs/dbraw/zinc/10/17/97/911101797.db2.gz RJNSKRLOPPOBOQ-LLVKDONJSA-N 1 2 264.329 0.585 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](COC)OC)C1 ZINC001391505393 911185498 /nfs/dbraw/zinc/18/54/98/911185498.db2.gz YZYPOWMHRXSNFP-NSHDSACASA-N 1 2 276.764 0.448 20 30 CCEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001321461052 911312260 /nfs/dbraw/zinc/31/22/60/911312260.db2.gz HJEHVRXXNHWQCJ-LLVKDONJSA-N 1 2 297.380 0.462 20 30 CCEDLO C[C@H](C[NH2+][C@H](C)c1csnn1)NC(=O)CSCC#N ZINC001321464737 911317397 /nfs/dbraw/zinc/31/73/97/911317397.db2.gz UWHAJGBAKYJKGF-RKDXNWHRSA-N 1 2 299.425 0.950 20 30 CCEDLO C[C@@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC001322300862 911751276 /nfs/dbraw/zinc/75/12/76/911751276.db2.gz PSTBFVUHNXGBJF-STQMWFEESA-N 1 2 275.356 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392640801 912022302 /nfs/dbraw/zinc/02/23/02/912022302.db2.gz OHUAEEOSMAJRKC-NXEZZACHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392640801 912022316 /nfs/dbraw/zinc/02/23/16/912022316.db2.gz OHUAEEOSMAJRKC-NXEZZACHSA-N 1 2 273.764 0.454 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)Nc1ccn(CCC#N)n1 ZINC001322979433 912052600 /nfs/dbraw/zinc/05/26/00/912052600.db2.gz SQNRRACASHOYFM-UHFFFAOYSA-N 1 2 258.285 0.711 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC(C)C ZINC001323181067 912158912 /nfs/dbraw/zinc/15/89/12/912158912.db2.gz INDIUWZYBDBYDT-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC(C)C ZINC001323181067 912158923 /nfs/dbraw/zinc/15/89/23/912158923.db2.gz INDIUWZYBDBYDT-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO CCCOCC(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323194529 912171012 /nfs/dbraw/zinc/17/10/12/912171012.db2.gz PTDSTPBCHSUUHQ-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO CCCOCC(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323194529 912171020 /nfs/dbraw/zinc/17/10/20/912171020.db2.gz PTDSTPBCHSUUHQ-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#CCOC)cn1 ZINC001323198626 912175021 /nfs/dbraw/zinc/17/50/21/912175021.db2.gz JIHQIODNYYUGBV-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1cc(C(=O)NC[C@H]2CC[N@H+]2CC#CCOC)cn1 ZINC001323198626 912175026 /nfs/dbraw/zinc/17/50/26/912175026.db2.gz JIHQIODNYYUGBV-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001323200534 912175532 /nfs/dbraw/zinc/17/55/32/912175532.db2.gz WAIWEEYRMGVYMT-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001323200534 912175558 /nfs/dbraw/zinc/17/55/58/912175558.db2.gz WAIWEEYRMGVYMT-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCC=C ZINC001323231929 912205201 /nfs/dbraw/zinc/20/52/01/912205201.db2.gz MIQCSXSMYLONQE-ZIAGYGMSSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCC=C ZINC001323231929 912205219 /nfs/dbraw/zinc/20/52/19/912205219.db2.gz MIQCSXSMYLONQE-ZIAGYGMSSA-N 1 2 291.395 0.671 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)CC#N ZINC001328337701 915121183 /nfs/dbraw/zinc/12/11/83/915121183.db2.gz JQKXMJULXUGKTA-WPRPVWTQSA-N 1 2 264.285 0.160 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)CC#N ZINC001328337701 915121188 /nfs/dbraw/zinc/12/11/88/915121188.db2.gz JQKXMJULXUGKTA-WPRPVWTQSA-N 1 2 264.285 0.160 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001399417817 915161685 /nfs/dbraw/zinc/16/16/85/915161685.db2.gz ITVJUADTVRMBRR-NXEZZACHSA-N 1 2 291.355 0.289 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001328408370 915175222 /nfs/dbraw/zinc/17/52/22/915175222.db2.gz YKNPHHLYHFDJOA-UONOGXRCSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001328408370 915175230 /nfs/dbraw/zinc/17/52/30/915175230.db2.gz YKNPHHLYHFDJOA-UONOGXRCSA-N 1 2 288.351 0.437 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001399478344 915191430 /nfs/dbraw/zinc/19/14/30/915191430.db2.gz CQFKKIXDZJFAIT-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001399478344 915191432 /nfs/dbraw/zinc/19/14/32/915191432.db2.gz CQFKKIXDZJFAIT-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C#CC[NH+]1CCC(CO)(NC(=O)CCCC(C)=O)CC1 ZINC001328516000 915242807 /nfs/dbraw/zinc/24/28/07/915242807.db2.gz DHSPBQGQEKEUCI-UHFFFAOYSA-N 1 2 280.368 0.322 20 30 CCEDLO N#Cc1c[nH]nc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001328645736 915330047 /nfs/dbraw/zinc/33/00/47/915330047.db2.gz VYRDLUDHNFEEGC-MRVPVSSYSA-N 1 2 256.269 0.679 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)/C(C)=C/C)C1 ZINC001329983308 916334417 /nfs/dbraw/zinc/33/44/17/916334417.db2.gz HSXBBHMFNCMLOU-IGEMTJHASA-N 1 2 277.368 0.139 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001329986495 916337420 /nfs/dbraw/zinc/33/74/20/916337420.db2.gz YFFMRCSBXHQBRX-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)COC)C2)C1 ZINC001330159605 916443528 /nfs/dbraw/zinc/44/35/28/916443528.db2.gz GESOZXANLGCEGX-HOCLYGCPSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)COC)C2)C1 ZINC001330159605 916443539 /nfs/dbraw/zinc/44/35/39/916443539.db2.gz GESOZXANLGCEGX-HOCLYGCPSA-N 1 2 294.395 0.596 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330280179 916527197 /nfs/dbraw/zinc/52/71/97/916527197.db2.gz CSYSOVZTMPCRRR-LBPRGKRZSA-N 1 2 264.373 0.384 20 30 CCEDLO Cc1nnc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)[nH]1 ZINC001401941073 916717039 /nfs/dbraw/zinc/71/70/39/916717039.db2.gz IWKPCXHYRCKZNJ-UHFFFAOYSA-N 1 2 299.338 0.365 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC001402663628 917163748 /nfs/dbraw/zinc/16/37/48/917163748.db2.gz IUCBAGVZPLTUNT-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC001402663628 917163758 /nfs/dbraw/zinc/16/37/58/917163758.db2.gz IUCBAGVZPLTUNT-RYUDHWBXSA-N 1 2 290.371 0.303 20 30 CCEDLO CCCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001402852002 917287304 /nfs/dbraw/zinc/28/73/04/917287304.db2.gz KODKFSUBOCMQHU-NXEZZACHSA-N 1 2 279.344 0.776 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403174318 917562651 /nfs/dbraw/zinc/56/26/51/917562651.db2.gz SHWPNKMCOGJDCC-VIFPVBQESA-N 1 2 284.747 0.573 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403174318 917562667 /nfs/dbraw/zinc/56/26/67/917562667.db2.gz SHWPNKMCOGJDCC-VIFPVBQESA-N 1 2 284.747 0.573 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001331934246 917733075 /nfs/dbraw/zinc/73/30/75/917733075.db2.gz MJCZOKVIAORCMY-UONOGXRCSA-N 1 2 298.383 0.485 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C1(C)CC1 ZINC001403562026 917815661 /nfs/dbraw/zinc/81/56/61/917815661.db2.gz GCSHMNPBJMPWRA-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C1(C)CC1 ZINC001403562026 917815679 /nfs/dbraw/zinc/81/56/79/917815679.db2.gz GCSHMNPBJMPWRA-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001403597632 917834518 /nfs/dbraw/zinc/83/45/18/917834518.db2.gz NFFPMNBCNBTWIS-UHFFFAOYSA-N 1 2 272.736 0.838 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001403597632 917834530 /nfs/dbraw/zinc/83/45/30/917834530.db2.gz NFFPMNBCNBTWIS-UHFFFAOYSA-N 1 2 272.736 0.838 20 30 CCEDLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001332180158 917939132 /nfs/dbraw/zinc/93/91/32/917939132.db2.gz WLYCXCOCWBAATM-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001332180158 917939145 /nfs/dbraw/zinc/93/91/45/917939145.db2.gz WLYCXCOCWBAATM-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO C=C[C@@H](COC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001332557937 918274438 /nfs/dbraw/zinc/27/44/38/918274438.db2.gz ITACCXRKVCXERJ-SUIFULHWSA-N 1 2 268.357 0.582 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001404407681 918340819 /nfs/dbraw/zinc/34/08/19/918340819.db2.gz FZQZWLDPLRUVBI-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001404407681 918340836 /nfs/dbraw/zinc/34/08/36/918340836.db2.gz FZQZWLDPLRUVBI-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001404436776 918343063 /nfs/dbraw/zinc/34/30/63/918343063.db2.gz VMLUBCYJAKLZJA-RYUDHWBXSA-N 1 2 291.355 0.396 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccnn1C ZINC001333183786 918715186 /nfs/dbraw/zinc/71/51/86/918715186.db2.gz LRXCKHKGMRTOLJ-ZJUUUORDSA-N 1 2 280.328 0.044 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001407040120 919585976 /nfs/dbraw/zinc/58/59/76/919585976.db2.gz QHSQYQMPYKATLL-NSHDSACASA-N 1 2 288.351 0.188 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415332713 920676158 /nfs/dbraw/zinc/67/61/58/920676158.db2.gz OBQRAZJEGDJDPZ-MNOVXSKESA-N 1 2 289.339 0.077 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)NCc1ccco1 ZINC001336712878 920946661 /nfs/dbraw/zinc/94/66/61/920946661.db2.gz KKPKUJSBALRDTD-NSHDSACASA-N 1 2 260.297 0.929 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)O)n2CC=C)CC1 ZINC001342119237 922811003 /nfs/dbraw/zinc/81/10/03/922811003.db2.gz LHIAQSKXWKISPW-GFCCVEGCSA-N 1 2 275.356 0.273 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCn1cncn1 ZINC001419945232 923177771 /nfs/dbraw/zinc/17/77/71/923177771.db2.gz DBFHLUSYTOGIEU-UHFFFAOYSA-N 1 2 285.779 0.811 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCn1cncn1 ZINC001419945232 923177773 /nfs/dbraw/zinc/17/77/73/923177773.db2.gz DBFHLUSYTOGIEU-UHFFFAOYSA-N 1 2 285.779 0.811 20 30 CCEDLO CCc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C#N)no1 ZINC001420066339 923280879 /nfs/dbraw/zinc/28/08/79/923280879.db2.gz IXQWYFVYVLDFRX-NXEZZACHSA-N 1 2 279.344 0.776 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)O)n2CC(=C)C)CC1 ZINC001343631667 923396208 /nfs/dbraw/zinc/39/62/08/923396208.db2.gz XBSUVSOUCJCVAL-ZDUSSCGKSA-N 1 2 289.383 0.663 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001420640359 923841095 /nfs/dbraw/zinc/84/10/95/923841095.db2.gz MOGPJSRPOBNASG-JTQLQIEISA-N 1 2 286.767 0.252 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001420640359 923841105 /nfs/dbraw/zinc/84/11/05/923841105.db2.gz MOGPJSRPOBNASG-JTQLQIEISA-N 1 2 286.767 0.252 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001346767800 924306857 /nfs/dbraw/zinc/30/68/57/924306857.db2.gz UJZOMDCSSKRYQA-RRFJBIMHSA-N 1 2 292.427 0.676 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001346767800 924306865 /nfs/dbraw/zinc/30/68/65/924306865.db2.gz UJZOMDCSSKRYQA-RRFJBIMHSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CCCCC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001348217708 924620618 /nfs/dbraw/zinc/62/06/18/924620618.db2.gz OJKAVLWUEYBPMK-UHFFFAOYSA-N 1 2 288.351 0.427 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001348360754 924666615 /nfs/dbraw/zinc/66/66/15/924666615.db2.gz PHNBSUQSQAAQHZ-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001348360754 924666623 /nfs/dbraw/zinc/66/66/23/924666623.db2.gz PHNBSUQSQAAQHZ-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001349050994 924877175 /nfs/dbraw/zinc/87/71/75/924877175.db2.gz AXRZQTLIHYPPCL-UHFFFAOYSA-N 1 2 295.383 0.797 20 30 CCEDLO C=C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001349050994 924877185 /nfs/dbraw/zinc/87/71/85/924877185.db2.gz AXRZQTLIHYPPCL-UHFFFAOYSA-N 1 2 295.383 0.797 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC001349636590 925009651 /nfs/dbraw/zinc/00/96/51/925009651.db2.gz MBXQOCMAANLSOU-PWSUYJOCSA-N 1 2 251.330 0.658 20 30 CCEDLO C=CCn1nnnc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001354290726 926072056 /nfs/dbraw/zinc/07/20/56/926072056.db2.gz BLKIGXDFGBCODS-LBPRGKRZSA-N 1 2 278.360 0.160 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](CC)OC)CC1 ZINC001300685106 926149197 /nfs/dbraw/zinc/14/91/97/926149197.db2.gz GJZVJIANOCBNNR-AWEZNQCLSA-N 1 2 291.399 0.767 20 30 CCEDLO Cc1cnc(C[NH2+]C[C@H](O)CN(C)CCC#N)o1 ZINC001356594215 926405790 /nfs/dbraw/zinc/40/57/90/926405790.db2.gz BKFIQPRWGYADNK-NSHDSACASA-N 1 2 252.318 0.279 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(NC(=O)C#CC(C)C)C1 ZINC001356757921 926432314 /nfs/dbraw/zinc/43/23/14/926432314.db2.gz WEPXPNSCTOZEAR-UHFFFAOYSA-N 1 2 288.351 0.247 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001356772901 926435540 /nfs/dbraw/zinc/43/55/40/926435540.db2.gz AVCMOMDLPWUINP-UHFFFAOYSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCn2ccnn2)C1 ZINC001421319974 926672663 /nfs/dbraw/zinc/67/26/63/926672663.db2.gz QSOWHXXEECPGDW-LBPRGKRZSA-N 1 2 297.790 0.953 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2ccnn2)C1 ZINC001421319974 926672666 /nfs/dbraw/zinc/67/26/66/926672666.db2.gz QSOWHXXEECPGDW-LBPRGKRZSA-N 1 2 297.790 0.953 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cn1 ZINC001361646386 927218111 /nfs/dbraw/zinc/21/81/11/927218111.db2.gz AYGKZKNWMNIFJU-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001422979080 927615871 /nfs/dbraw/zinc/61/58/71/927615871.db2.gz AHQQKANHNKZXBQ-JOYOIKCWSA-N 1 2 291.355 0.864 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001422989250 927618450 /nfs/dbraw/zinc/61/84/50/927618450.db2.gz QEAHRXFMWCIXDU-KWQFWETISA-N 1 2 277.328 0.522 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CNc1ccc(C#N)cc1 ZINC001363144681 928917735 /nfs/dbraw/zinc/91/77/35/928917735.db2.gz PXELPHTZJRJQAM-CYBMUJFWSA-N 1 2 299.334 0.553 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 ZINC001363395832 929182372 /nfs/dbraw/zinc/18/23/72/929182372.db2.gz WELLPYHRKMCIIC-AWEZNQCLSA-N 1 2 284.319 0.684 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446666596 930457452 /nfs/dbraw/zinc/45/74/52/930457452.db2.gz HVPXOVUSIMVCIW-MNOVXSKESA-N 1 2 289.339 0.171 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374483440 930529005 /nfs/dbraw/zinc/52/90/05/930529005.db2.gz DKDZVAHSDBMRHI-VIFPVBQESA-N 1 2 275.736 0.238 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374483440 930529016 /nfs/dbraw/zinc/52/90/16/930529016.db2.gz DKDZVAHSDBMRHI-VIFPVBQESA-N 1 2 275.736 0.238 20 30 CCEDLO Cn1cnc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001377173989 931418414 /nfs/dbraw/zinc/41/84/14/931418414.db2.gz GMGMKOKIKTTWGA-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001377173989 931418421 /nfs/dbraw/zinc/41/84/21/931418421.db2.gz GMGMKOKIKTTWGA-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573339987 334929585 /nfs/dbraw/zinc/92/95/85/334929585.db2.gz BHBDJKUPHSZGPJ-NSHDSACASA-N 1 2 297.384 0.466 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](C(N)=O)O1 ZINC000092006482 349480026 /nfs/dbraw/zinc/48/00/26/349480026.db2.gz RDPSUUVEOHGBCK-MFKMUULPSA-N 1 2 299.334 0.281 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641018 361768226 /nfs/dbraw/zinc/76/82/26/361768226.db2.gz GNEUPOVWQBINGK-WDEREUQCSA-N 1 2 287.335 0.447 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CCF)C1 ZINC000599641018 361768231 /nfs/dbraw/zinc/76/82/31/361768231.db2.gz GNEUPOVWQBINGK-WDEREUQCSA-N 1 2 287.335 0.447 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599692184 361789377 /nfs/dbraw/zinc/78/93/77/361789377.db2.gz HZUTYYGTVUNWJR-UKRRQHHQSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599692184 361789380 /nfs/dbraw/zinc/78/93/80/361789380.db2.gz HZUTYYGTVUNWJR-UKRRQHHQSA-N 1 2 297.399 0.732 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000094267785 349564089 /nfs/dbraw/zinc/56/40/89/349564089.db2.gz BPODRUAPMABTFN-LLVKDONJSA-N 1 2 295.364 0.641 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](CO)C1 ZINC000094267785 349564093 /nfs/dbraw/zinc/56/40/93/349564093.db2.gz BPODRUAPMABTFN-LLVKDONJSA-N 1 2 295.364 0.641 20 30 CCEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)NCC#N ZINC000350477816 529384871 /nfs/dbraw/zinc/38/48/71/529384871.db2.gz MHGYCGFWHMTIHB-OLZOCXBDSA-N 1 2 280.372 0.347 20 30 CCEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)NCC#N ZINC000350477816 529384873 /nfs/dbraw/zinc/38/48/73/529384873.db2.gz MHGYCGFWHMTIHB-OLZOCXBDSA-N 1 2 280.372 0.347 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000600421367 361956630 /nfs/dbraw/zinc/95/66/30/361956630.db2.gz NHGJNEONVHOILF-SNVBAGLBSA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000600421367 361956632 /nfs/dbraw/zinc/95/66/32/361956632.db2.gz NHGJNEONVHOILF-SNVBAGLBSA-N 1 2 277.299 0.758 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721183 365726401 /nfs/dbraw/zinc/72/64/01/365726401.db2.gz MGKPEDQALQIOPS-FQUUOJAGSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721183 365726405 /nfs/dbraw/zinc/72/64/05/365726405.db2.gz MGKPEDQALQIOPS-FQUUOJAGSA-N 1 2 282.384 0.803 20 30 CCEDLO N#Cc1cccc(N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176046 362166937 /nfs/dbraw/zinc/16/69/37/362166937.db2.gz DXTRDGHPGUQDLI-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO N#CC1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000601378785 362250312 /nfs/dbraw/zinc/25/03/12/362250312.db2.gz YAKPZZGKJSGENF-UHFFFAOYSA-N 1 2 254.315 0.523 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049000952 260202965 /nfs/dbraw/zinc/20/29/65/260202965.db2.gz WDRVSKUTSTTXRH-BDAKNGLRSA-N 1 2 252.318 0.455 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049000952 260202967 /nfs/dbraw/zinc/20/29/67/260202967.db2.gz WDRVSKUTSTTXRH-BDAKNGLRSA-N 1 2 252.318 0.455 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000601715416 362363559 /nfs/dbraw/zinc/36/35/59/362363559.db2.gz MEYKMHBQGSSLEO-LBPRGKRZSA-N 1 2 263.272 0.966 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000601715416 362363564 /nfs/dbraw/zinc/36/35/64/362363564.db2.gz MEYKMHBQGSSLEO-LBPRGKRZSA-N 1 2 263.272 0.966 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000601995613 362452907 /nfs/dbraw/zinc/45/29/07/362452907.db2.gz HGSNEYUAVMGHML-JTQLQIEISA-N 1 2 268.313 0.974 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC(C)(C)C#N)C1 ZINC000353091432 530070360 /nfs/dbraw/zinc/07/03/60/530070360.db2.gz WMSULWJJVMXZJX-NSHDSACASA-N 1 2 267.377 0.081 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC(C)(C)C#N)C1 ZINC000353091432 530070361 /nfs/dbraw/zinc/07/03/61/530070361.db2.gz WMSULWJJVMXZJX-NSHDSACASA-N 1 2 267.377 0.081 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602132722 362511779 /nfs/dbraw/zinc/51/17/79/362511779.db2.gz LBQHTUPXQRKUPZ-OPRDCNLKSA-N 1 2 262.338 0.981 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602132722 362511785 /nfs/dbraw/zinc/51/17/85/362511785.db2.gz LBQHTUPXQRKUPZ-OPRDCNLKSA-N 1 2 262.338 0.981 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CCSC[C@@H]2C#N)[nH+]1 ZINC000602133053 362512914 /nfs/dbraw/zinc/51/29/14/362512914.db2.gz OHNVYJQCXCJJPK-JTQLQIEISA-N 1 2 264.354 0.982 20 30 CCEDLO N#CCCN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000602205368 362558111 /nfs/dbraw/zinc/55/81/11/362558111.db2.gz CHLFIKPHWAROMS-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602430827 362612494 /nfs/dbraw/zinc/61/24/94/362612494.db2.gz FHNIDEPOZRTVPW-UHFFFAOYSA-N 1 2 287.367 0.159 20 30 CCEDLO CS(=O)(=O)N1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602435273 362616072 /nfs/dbraw/zinc/61/60/72/362616072.db2.gz KIJVEEJARVWTCS-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602435273 362616079 /nfs/dbraw/zinc/61/60/79/362616079.db2.gz KIJVEEJARVWTCS-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO COCC[N@H+](CCC#N)CC(C)(C)N1CCOCC1 ZINC000602465665 362631547 /nfs/dbraw/zinc/63/15/47/362631547.db2.gz RLTCSCTVSSPBAD-UHFFFAOYSA-N 1 2 269.389 0.959 20 30 CCEDLO COCC[N@@H+](CCC#N)CC(C)(C)N1CCOCC1 ZINC000602465665 362631549 /nfs/dbraw/zinc/63/15/49/362631549.db2.gz RLTCSCTVSSPBAD-UHFFFAOYSA-N 1 2 269.389 0.959 20 30 CCEDLO C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1CC[NH2+]CC1=O ZINC000602523201 362657286 /nfs/dbraw/zinc/65/72/86/362657286.db2.gz ZJFSNYZAGWITCB-NSHDSACASA-N 1 2 298.346 0.221 20 30 CCEDLO CCn1nncc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851352 362838705 /nfs/dbraw/zinc/83/87/05/362838705.db2.gz VPILOPMIYCMSDW-RYUDHWBXSA-N 1 2 262.361 0.716 20 30 CCEDLO N#CCC(=O)N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602840060 362829439 /nfs/dbraw/zinc/82/94/39/362829439.db2.gz ICWYTIZSFPOXGX-CYBMUJFWSA-N 1 2 290.367 0.198 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H](C)N1CC#N ZINC000602853996 362840534 /nfs/dbraw/zinc/84/05/34/362840534.db2.gz NGBCDVMWSIGVPB-STQMWFEESA-N 1 2 278.400 0.773 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H](C)N1CC#N ZINC000602854585 362841840 /nfs/dbraw/zinc/84/18/40/362841840.db2.gz CBISGORYQAEGSC-ZIAGYGMSSA-N 1 2 278.400 0.917 20 30 CCEDLO C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)N1CC#N ZINC000602855397 362841948 /nfs/dbraw/zinc/84/19/48/362841948.db2.gz TXXBSZZXDYJOIK-YHUYYLMFSA-N 1 2 292.427 0.768 20 30 CCEDLO C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)N1CC#N ZINC000602855397 362841956 /nfs/dbraw/zinc/84/19/56/362841956.db2.gz TXXBSZZXDYJOIK-YHUYYLMFSA-N 1 2 292.427 0.768 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H](C)N1CC#N ZINC000602856912 362843181 /nfs/dbraw/zinc/84/31/81/362843181.db2.gz MTLLTGOBSABPNH-BETUJISGSA-N 1 2 290.367 0.814 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H](C)N1CC#N ZINC000602856912 362843186 /nfs/dbraw/zinc/84/31/86/362843186.db2.gz MTLLTGOBSABPNH-BETUJISGSA-N 1 2 290.367 0.814 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](C)N1CC#N ZINC000602857927 362843386 /nfs/dbraw/zinc/84/33/86/362843386.db2.gz XAMUBYCTYBZBTF-TXEJJXNPSA-N 1 2 266.389 0.819 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H](C)N1CC#N ZINC000602857927 362843389 /nfs/dbraw/zinc/84/33/89/362843389.db2.gz XAMUBYCTYBZBTF-TXEJJXNPSA-N 1 2 266.389 0.819 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H](C)N1CC#N ZINC000602857101 362843996 /nfs/dbraw/zinc/84/39/96/362843996.db2.gz OSEPFEHISRKQRI-BETUJISGSA-N 1 2 278.400 0.963 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H](C)N1CC#N ZINC000602857101 362844000 /nfs/dbraw/zinc/84/40/00/362844000.db2.gz OSEPFEHISRKQRI-BETUJISGSA-N 1 2 278.400 0.963 20 30 CCEDLO C[C@H](C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)CS(C)(=O)=O ZINC000602864859 362848676 /nfs/dbraw/zinc/84/86/76/362848676.db2.gz QWEFTNCPVMSNJC-UPJWGTAASA-N 1 2 287.429 0.585 20 30 CCEDLO C[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)CS(C)(=O)=O ZINC000602864859 362848680 /nfs/dbraw/zinc/84/86/80/362848680.db2.gz QWEFTNCPVMSNJC-UPJWGTAASA-N 1 2 287.429 0.585 20 30 CCEDLO N#Cc1ccnc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000343370373 137131148 /nfs/dbraw/zinc/13/11/48/137131148.db2.gz RPYGVWHHHNHZQU-ZDUSSCGKSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccnc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000343370373 137131149 /nfs/dbraw/zinc/13/11/49/137131149.db2.gz RPYGVWHHHNHZQU-ZDUSSCGKSA-N 1 2 286.335 0.546 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000602868022 362850477 /nfs/dbraw/zinc/85/04/77/362850477.db2.gz GXLKQJYQAOZOOZ-RQJHMYQMSA-N 1 2 280.250 0.655 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)CCOc1ccccc1C#N ZINC000339368616 215127565 /nfs/dbraw/zinc/12/75/65/215127565.db2.gz WYNMGSOUHHFGPF-GFCCVEGCSA-N 1 2 277.324 0.369 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)CCOc1ccccc1C#N ZINC000339368616 215127566 /nfs/dbraw/zinc/12/75/66/215127566.db2.gz WYNMGSOUHHFGPF-GFCCVEGCSA-N 1 2 277.324 0.369 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000007923890 348009286 /nfs/dbraw/zinc/00/92/86/348009286.db2.gz ZLVQBPPREZXVTH-IUODEOHRSA-N 1 2 296.415 0.886 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000007923890 348009288 /nfs/dbraw/zinc/00/92/88/348009288.db2.gz ZLVQBPPREZXVTH-IUODEOHRSA-N 1 2 296.415 0.886 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000344998301 137226973 /nfs/dbraw/zinc/22/69/73/137226973.db2.gz CYSIZFZAMOHATD-NSHDSACASA-N 1 2 287.279 0.124 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000344998301 137226974 /nfs/dbraw/zinc/22/69/74/137226974.db2.gz CYSIZFZAMOHATD-NSHDSACASA-N 1 2 287.279 0.124 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000035107217 348156272 /nfs/dbraw/zinc/15/62/72/348156272.db2.gz XVAUGOXOOXHJCY-UHFFFAOYSA-N 1 2 259.309 0.308 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccnc2C)c1C#N ZINC000536306283 290849678 /nfs/dbraw/zinc/84/96/78/290849678.db2.gz JZZJHOYAJZZQHY-UHFFFAOYSA-N 1 2 298.350 0.811 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000042267077 348272423 /nfs/dbraw/zinc/27/24/23/348272423.db2.gz DFKASFODGONIGA-ZDUSSCGKSA-N 1 2 259.309 0.953 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000042267077 348272425 /nfs/dbraw/zinc/27/24/25/348272425.db2.gz DFKASFODGONIGA-ZDUSSCGKSA-N 1 2 259.309 0.953 20 30 CCEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000602906625 362880768 /nfs/dbraw/zinc/88/07/68/362880768.db2.gz YEEKAFYYNCNHQR-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000602906625 362880773 /nfs/dbraw/zinc/88/07/73/362880773.db2.gz YEEKAFYYNCNHQR-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000046061423 348349013 /nfs/dbraw/zinc/34/90/13/348349013.db2.gz BDOBBDKOEQORDR-AWEZNQCLSA-N 1 2 282.388 0.484 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000046061423 348349015 /nfs/dbraw/zinc/34/90/15/348349015.db2.gz BDOBBDKOEQORDR-AWEZNQCLSA-N 1 2 282.388 0.484 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000602937656 362898726 /nfs/dbraw/zinc/89/87/26/362898726.db2.gz KOMFIOVIFXZVIE-UHFFFAOYSA-N 1 2 265.317 0.162 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000602937656 362898730 /nfs/dbraw/zinc/89/87/30/362898730.db2.gz KOMFIOVIFXZVIE-UHFFFAOYSA-N 1 2 265.317 0.162 20 30 CCEDLO C[N@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976121 362917957 /nfs/dbraw/zinc/91/79/57/362917957.db2.gz LBTJRKXAILGUAP-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976121 362917961 /nfs/dbraw/zinc/91/79/61/362917961.db2.gz LBTJRKXAILGUAP-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442421 348509444 /nfs/dbraw/zinc/50/94/44/348509444.db2.gz DJDLMKQVEDWQKN-GFCCVEGCSA-N 1 2 287.367 0.552 20 30 CCEDLO N#CCN1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000054614432 348561089 /nfs/dbraw/zinc/56/10/89/348561089.db2.gz CXRFJEXHQGGFJS-UHFFFAOYSA-N 1 2 255.325 0.975 20 30 CCEDLO NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000060100256 348640756 /nfs/dbraw/zinc/64/07/56/348640756.db2.gz ZLONUXLFBAHZAA-UHFFFAOYSA-N 1 2 277.328 0.194 20 30 CCEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC000066495585 348745866 /nfs/dbraw/zinc/74/58/66/348745866.db2.gz GQSQTWYCCCMKNE-SNVBAGLBSA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC000066495585 348745867 /nfs/dbraw/zinc/74/58/67/348745867.db2.gz GQSQTWYCCCMKNE-SNVBAGLBSA-N 1 2 263.301 0.197 20 30 CCEDLO C#CC[N@@H+](CCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000068828718 348823424 /nfs/dbraw/zinc/82/34/24/348823424.db2.gz OAZRTFBFYFGIFV-CQSZACIVSA-N 1 2 295.408 0.622 20 30 CCEDLO C#CC[N@H+](CCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000068828718 348823428 /nfs/dbraw/zinc/82/34/28/348823428.db2.gz OAZRTFBFYFGIFV-CQSZACIVSA-N 1 2 295.408 0.622 20 30 CCEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCCC#N)CC1 ZINC000068848277 348823665 /nfs/dbraw/zinc/82/36/65/348823665.db2.gz TURAKFNAVAQMBM-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCCC#N)CC1 ZINC000068848277 348823667 /nfs/dbraw/zinc/82/36/67/348823667.db2.gz TURAKFNAVAQMBM-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](O)C1 ZINC000074323789 348985103 /nfs/dbraw/zinc/98/51/03/348985103.db2.gz PZQKLGCUOHFJBO-ZYHUDNBSSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](O)C1 ZINC000074323789 348985106 /nfs/dbraw/zinc/98/51/06/348985106.db2.gz PZQKLGCUOHFJBO-ZYHUDNBSSA-N 1 2 259.309 0.952 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]cn1 ZINC000076587647 349086625 /nfs/dbraw/zinc/08/66/25/349086625.db2.gz WBMRCJFJUMKFFA-UHFFFAOYSA-N 1 2 277.328 0.098 20 30 CCEDLO N#Cc1cccc(CS(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080624341 349222295 /nfs/dbraw/zinc/22/22/95/349222295.db2.gz PCZQCAVMTWYMDU-UHFFFAOYSA-N 1 2 276.321 0.901 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443178 349305792 /nfs/dbraw/zinc/30/57/92/349305792.db2.gz AXGBDFKCGSVZKT-UHFFFAOYSA-N 1 2 290.371 0.746 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000121218177 350028181 /nfs/dbraw/zinc/02/81/81/350028181.db2.gz RHWCXIKTKDODII-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000121218177 350028186 /nfs/dbraw/zinc/02/81/86/350028186.db2.gz RHWCXIKTKDODII-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000129778449 350223394 /nfs/dbraw/zinc/22/33/94/350223394.db2.gz NPSVFUOBYPAKFX-UHFFFAOYSA-N 1 2 277.309 0.165 20 30 CCEDLO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(N)=O ZINC000135058079 350383131 /nfs/dbraw/zinc/38/31/31/350383131.db2.gz VWXOBTUFWYCLDT-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(N)=O ZINC000135058079 350383133 /nfs/dbraw/zinc/38/31/33/350383133.db2.gz VWXOBTUFWYCLDT-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO C[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135506272 350399267 /nfs/dbraw/zinc/39/92/67/350399267.db2.gz KMLMMYRGXMWJHP-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135506272 350399268 /nfs/dbraw/zinc/39/92/68/350399268.db2.gz KMLMMYRGXMWJHP-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000152083997 350518379 /nfs/dbraw/zinc/51/83/79/350518379.db2.gz OBHQQTJNXUTJCA-UHFFFAOYSA-N 1 2 256.346 0.952 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000152083997 350518383 /nfs/dbraw/zinc/51/83/83/350518383.db2.gz OBHQQTJNXUTJCA-UHFFFAOYSA-N 1 2 256.346 0.952 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](CCC)CC2=O)CC1 ZINC000173300040 351034628 /nfs/dbraw/zinc/03/46/28/351034628.db2.gz CVKJDQONTZOUGT-CQSZACIVSA-N 1 2 263.385 0.843 20 30 CCEDLO C[N@H+](CCO)Cc1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603220733 363006104 /nfs/dbraw/zinc/00/61/04/363006104.db2.gz HHLLLAWWEYIAST-AWEZNQCLSA-N 1 2 271.324 0.815 20 30 CCEDLO C[N@@H+](CCO)Cc1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603220733 363006109 /nfs/dbraw/zinc/00/61/09/363006109.db2.gz HHLLLAWWEYIAST-AWEZNQCLSA-N 1 2 271.324 0.815 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncccc2C(=O)OC)nn1 ZINC000603223623 363008600 /nfs/dbraw/zinc/00/86/00/363008600.db2.gz UKCHYUVPYHNGFL-UHFFFAOYSA-N 1 2 299.334 0.621 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)cn1C ZINC000175666106 351138712 /nfs/dbraw/zinc/13/87/12/351138712.db2.gz BCNKXZSERXYPFA-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000188596492 351610409 /nfs/dbraw/zinc/61/04/09/351610409.db2.gz BEHQMMFKBTVERM-GXTWGEPZSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000188596492 351610413 /nfs/dbraw/zinc/61/04/13/351610413.db2.gz BEHQMMFKBTVERM-GXTWGEPZSA-N 1 2 290.319 0.545 20 30 CCEDLO C=CCN(CCC#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603346846 363081244 /nfs/dbraw/zinc/08/12/44/363081244.db2.gz XOTKIQCWUIPMEU-UHFFFAOYSA-N 1 2 268.342 0.615 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191371422 351756135 /nfs/dbraw/zinc/75/61/35/351756135.db2.gz DEIWOEIQUMVMPQ-CQSZACIVSA-N 1 2 276.340 0.234 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191371422 351756140 /nfs/dbraw/zinc/75/61/40/351756140.db2.gz DEIWOEIQUMVMPQ-CQSZACIVSA-N 1 2 276.340 0.234 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193011100 351808255 /nfs/dbraw/zinc/80/82/55/351808255.db2.gz VNLUPLVXONTNPS-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193011100 351808257 /nfs/dbraw/zinc/80/82/57/351808257.db2.gz VNLUPLVXONTNPS-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336855 352112572 /nfs/dbraw/zinc/11/25/72/352112572.db2.gz FKAZLRVJMNJANN-QMMMGPOBSA-N 1 2 271.367 0.602 20 30 CCEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336855 352112573 /nfs/dbraw/zinc/11/25/73/352112573.db2.gz FKAZLRVJMNJANN-QMMMGPOBSA-N 1 2 271.367 0.602 20 30 CCEDLO COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1C#N ZINC000234984340 352179720 /nfs/dbraw/zinc/17/97/20/352179720.db2.gz LWFTZZKYWNOAJT-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1C#N ZINC000234984340 352179724 /nfs/dbraw/zinc/17/97/24/352179724.db2.gz LWFTZZKYWNOAJT-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccnc1C#N ZINC000235152105 352181236 /nfs/dbraw/zinc/18/12/36/352181236.db2.gz LARAAEFDKWBFCI-JTQLQIEISA-N 1 2 291.336 0.517 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603934357 363172680 /nfs/dbraw/zinc/17/26/80/363172680.db2.gz APMDZXLKEFVAKL-GFCCVEGCSA-N 1 2 294.399 0.785 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603934357 363172684 /nfs/dbraw/zinc/17/26/84/363172684.db2.gz APMDZXLKEFVAKL-GFCCVEGCSA-N 1 2 294.399 0.785 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000271168247 353029370 /nfs/dbraw/zinc/02/93/70/353029370.db2.gz IFDPVVCFCQBSIP-HNNXBMFYSA-N 1 2 261.321 0.892 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000271168247 353029372 /nfs/dbraw/zinc/02/93/72/353029372.db2.gz IFDPVVCFCQBSIP-HNNXBMFYSA-N 1 2 261.321 0.892 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000272658624 353083055 /nfs/dbraw/zinc/08/30/55/353083055.db2.gz OGMCMSRBQGWWET-UHFFFAOYSA-N 1 2 274.368 0.501 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274357446 353122431 /nfs/dbraw/zinc/12/24/31/353122431.db2.gz QZRXUNFSXNWPCL-UHFFFAOYSA-N 1 2 279.384 0.588 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295163325 199380995 /nfs/dbraw/zinc/38/09/95/199380995.db2.gz DKIFNPVDJCDPMF-CHWSQXEVSA-N 1 2 273.336 0.815 20 30 CCEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292325967 198245672 /nfs/dbraw/zinc/24/56/72/198245672.db2.gz WBGNVSJSYMPRQM-ZYHUDNBSSA-N 1 2 299.338 0.691 20 30 CCEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292325967 198245675 /nfs/dbraw/zinc/24/56/75/198245675.db2.gz WBGNVSJSYMPRQM-ZYHUDNBSSA-N 1 2 299.338 0.691 20 30 CCEDLO Cc1cc(C#N)nc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000287554239 353653219 /nfs/dbraw/zinc/65/32/19/353653219.db2.gz CEUXHNMTRNPAHE-UHFFFAOYSA-N 1 2 273.340 0.933 20 30 CCEDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290220928 353716049 /nfs/dbraw/zinc/71/60/49/353716049.db2.gz IAMJYTVWUDOJNT-LBPRGKRZSA-N 1 2 295.364 0.448 20 30 CCEDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290220928 353716050 /nfs/dbraw/zinc/71/60/50/353716050.db2.gz IAMJYTVWUDOJNT-LBPRGKRZSA-N 1 2 295.364 0.448 20 30 CCEDLO C#CCNC(=O)CCn1c2ccccc2[nH+]c1NCCO ZINC000295838685 353921335 /nfs/dbraw/zinc/92/13/35/353921335.db2.gz CYLWEWCHOUTFFN-UHFFFAOYSA-N 1 2 286.335 0.580 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CNC(C)=O)CC1 ZINC000305961667 354169377 /nfs/dbraw/zinc/16/93/77/354169377.db2.gz FMMDYONIZYDIHP-LBPRGKRZSA-N 1 2 254.330 0.562 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(c3cnc(C#N)cn3)C2)CC1 ZINC000330007797 354284004 /nfs/dbraw/zinc/28/40/04/354284004.db2.gz DWOCQUVXSMHNAT-AWEZNQCLSA-N 1 2 286.383 0.564 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@H]21 ZINC000330027450 283011834 /nfs/dbraw/zinc/01/18/34/283011834.db2.gz NDBIIYVHDJFKNR-CHWSQXEVSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@H]21 ZINC000330027450 283011835 /nfs/dbraw/zinc/01/18/35/283011835.db2.gz NDBIIYVHDJFKNR-CHWSQXEVSA-N 1 2 272.308 0.108 20 30 CCEDLO C[C@H](CNC(=O)c1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000330465929 354369791 /nfs/dbraw/zinc/36/97/91/354369791.db2.gz WJFLPRNEXOPOSX-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331358974 354551389 /nfs/dbraw/zinc/55/13/89/354551389.db2.gz VWMIBERYJFVTDS-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1C#N ZINC000332229503 354632139 /nfs/dbraw/zinc/63/21/39/354632139.db2.gz LSMHPCWOGUMALX-SNVBAGLBSA-N 1 2 284.323 0.718 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@H]1CCNC1=O ZINC000340225363 355530426 /nfs/dbraw/zinc/53/04/26/355530426.db2.gz HNWOVDXNMDIGRL-GWCFXTLKSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@H]1CCNC1=O ZINC000340225363 355530429 /nfs/dbraw/zinc/53/04/29/355530429.db2.gz HNWOVDXNMDIGRL-GWCFXTLKSA-N 1 2 286.335 0.706 20 30 CCEDLO Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425225504 235274419 /nfs/dbraw/zinc/27/44/19/235274419.db2.gz GLKVYUGKWZCJLN-LBPRGKRZSA-N 1 2 272.308 0.631 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000341566317 355693954 /nfs/dbraw/zinc/69/39/54/355693954.db2.gz NIOSFMDLTGPDMB-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000341566317 355693960 /nfs/dbraw/zinc/69/39/60/355693960.db2.gz NIOSFMDLTGPDMB-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000378317190 283131584 /nfs/dbraw/zinc/13/15/84/283131584.db2.gz YWUOGIZOOOQVFG-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000378317190 283131586 /nfs/dbraw/zinc/13/15/86/283131586.db2.gz YWUOGIZOOOQVFG-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000348587692 355952999 /nfs/dbraw/zinc/95/29/99/355952999.db2.gz KPOIVGMDGMDXAK-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO C[C@H](C[NH+]1CCC(F)(C#N)CC1)CS(C)(=O)=O ZINC000352463283 356013461 /nfs/dbraw/zinc/01/34/61/356013461.db2.gz IVUBHZMKLNABRN-SNVBAGLBSA-N 1 2 262.350 0.995 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352831090 356092133 /nfs/dbraw/zinc/09/21/33/356092133.db2.gz BVNCBKRSNCPIJI-MRVPVSSYSA-N 1 2 273.383 0.928 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000353486080 356235789 /nfs/dbraw/zinc/23/57/89/356235789.db2.gz WUZDIAANJUBSPO-UHFFFAOYSA-N 1 2 294.376 0.787 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000353486080 356235791 /nfs/dbraw/zinc/23/57/91/356235791.db2.gz WUZDIAANJUBSPO-UHFFFAOYSA-N 1 2 294.376 0.787 20 30 CCEDLO COCCN(CCC#N)C(=O)CCc1c[nH+]cn1C ZINC000619434612 366251304 /nfs/dbraw/zinc/25/13/04/366251304.db2.gz FFZHJOHFUJAFEU-UHFFFAOYSA-N 1 2 264.329 0.741 20 30 CCEDLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)CC#N)C2=O)n(C)n1 ZINC000610342886 363552388 /nfs/dbraw/zinc/55/23/88/363552388.db2.gz FMQZTMDMQOQMDB-GXSJLCMTSA-N 1 2 261.329 0.726 20 30 CCEDLO C=C[C@H](N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)OC ZINC000619722059 366342178 /nfs/dbraw/zinc/34/21/78/366342178.db2.gz WUPKGNQPAGLKBZ-MELADBBJSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000619721413 366341624 /nfs/dbraw/zinc/34/16/24/366341624.db2.gz DDMIUUPKJFFSBR-LBPRGKRZSA-N 1 2 269.341 0.986 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000619721413 366341627 /nfs/dbraw/zinc/34/16/27/366341627.db2.gz DDMIUUPKJFFSBR-LBPRGKRZSA-N 1 2 269.341 0.986 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000619720033 366341631 /nfs/dbraw/zinc/34/16/31/366341631.db2.gz VDLGJHCQVSCNOO-GFCCVEGCSA-N 1 2 281.356 0.594 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000619717888 366336803 /nfs/dbraw/zinc/33/68/03/366336803.db2.gz WBOCDYQXJHIKES-GFCCVEGCSA-N 1 2 278.356 0.265 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883266 366367261 /nfs/dbraw/zinc/36/72/61/366367261.db2.gz BJUXEKFYYAGSOQ-MRXNPFEDSA-N 1 2 296.411 0.884 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@@H]1OC ZINC000356401033 356760742 /nfs/dbraw/zinc/76/07/42/356760742.db2.gz GVSZNGHFIZSLCE-AOOOYVTPSA-N 1 2 253.327 0.860 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1OC ZINC000356401033 356760744 /nfs/dbraw/zinc/76/07/44/356760744.db2.gz GVSZNGHFIZSLCE-AOOOYVTPSA-N 1 2 253.327 0.860 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@@]2(CCCOC2)O1 ZINC000361608620 357050153 /nfs/dbraw/zinc/05/01/53/357050153.db2.gz GNJMNBVAGJJCBE-CQSZACIVSA-N 1 2 281.356 0.286 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@@]2(CCCOC2)O1 ZINC000361608620 357050155 /nfs/dbraw/zinc/05/01/55/357050155.db2.gz GNJMNBVAGJJCBE-CQSZACIVSA-N 1 2 281.356 0.286 20 30 CCEDLO Cc1nsc(N2CCC[N@H+](CC(N)=O)CC2)c1C#N ZINC000376118659 357434454 /nfs/dbraw/zinc/43/44/54/357434454.db2.gz ULWLROQVTXDVKA-UHFFFAOYSA-N 1 2 279.369 0.321 20 30 CCEDLO Cc1nsc(N2CCC[N@@H+](CC(N)=O)CC2)c1C#N ZINC000376118659 357434458 /nfs/dbraw/zinc/43/44/58/357434458.db2.gz ULWLROQVTXDVKA-UHFFFAOYSA-N 1 2 279.369 0.321 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)nn1 ZINC000424118450 358209391 /nfs/dbraw/zinc/20/93/91/358209391.db2.gz BQJJUBHRVRFRGJ-CQSZACIVSA-N 1 2 285.351 0.650 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000569490118 358769672 /nfs/dbraw/zinc/76/96/72/358769672.db2.gz ZLJGOBIWHFWJLW-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)c(N)n2)CCO1 ZINC000569137045 358738479 /nfs/dbraw/zinc/73/84/79/358738479.db2.gz AIRMUJWQBZPOPM-JTQLQIEISA-N 1 2 261.329 0.090 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)c(N)n2)CCO1 ZINC000569137045 358738483 /nfs/dbraw/zinc/73/84/83/358738483.db2.gz AIRMUJWQBZPOPM-JTQLQIEISA-N 1 2 261.329 0.090 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000570509361 358863644 /nfs/dbraw/zinc/86/36/44/358863644.db2.gz ZXSWDFYMKFQHTG-ZDUSSCGKSA-N 1 2 272.308 0.811 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1O ZINC000570526059 358867325 /nfs/dbraw/zinc/86/73/25/358867325.db2.gz AAPCMXYIYOOGQB-UHFFFAOYSA-N 1 2 297.318 0.949 20 30 CCEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](O)C(F)(F)F ZINC000573091732 358937314 /nfs/dbraw/zinc/93/73/14/358937314.db2.gz RYUJHBKWLTVWNH-SNVBAGLBSA-N 1 2 299.256 0.956 20 30 CCEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](O)C(F)(F)F ZINC000573091732 358937318 /nfs/dbraw/zinc/93/73/18/358937318.db2.gz RYUJHBKWLTVWNH-SNVBAGLBSA-N 1 2 299.256 0.956 20 30 CCEDLO Cc1nc(C)n(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000574044990 359022769 /nfs/dbraw/zinc/02/27/69/359022769.db2.gz LNYPUNCZHSXAQU-AWEZNQCLSA-N 1 2 292.387 0.635 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000573624561 358986397 /nfs/dbraw/zinc/98/63/97/358986397.db2.gz YXIYNWAIRFPNHP-SNVBAGLBSA-N 1 2 272.312 0.759 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000573624561 358986402 /nfs/dbraw/zinc/98/64/02/358986402.db2.gz YXIYNWAIRFPNHP-SNVBAGLBSA-N 1 2 272.312 0.759 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CC(=O)N2 ZINC000573913768 359011235 /nfs/dbraw/zinc/01/12/35/359011235.db2.gz LYVKOKLCUGIPEH-ZDUSSCGKSA-N 1 2 288.351 0.799 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CC(=O)N2 ZINC000573913768 359011237 /nfs/dbraw/zinc/01/12/37/359011237.db2.gz LYVKOKLCUGIPEH-ZDUSSCGKSA-N 1 2 288.351 0.799 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccnc(C#N)c1 ZINC000610991737 363643921 /nfs/dbraw/zinc/64/39/21/363643921.db2.gz GUVMBFXTWPQPRI-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccnc(C#N)c1 ZINC000610991737 363643927 /nfs/dbraw/zinc/64/39/27/363643927.db2.gz GUVMBFXTWPQPRI-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000588215897 359319079 /nfs/dbraw/zinc/31/90/79/359319079.db2.gz GTSRIZQPHOWCTB-CHWSQXEVSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000588215897 359319080 /nfs/dbraw/zinc/31/90/80/359319080.db2.gz GTSRIZQPHOWCTB-CHWSQXEVSA-N 1 2 268.357 0.952 20 30 CCEDLO CN1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000589315312 359377744 /nfs/dbraw/zinc/37/77/44/359377744.db2.gz JAXAAIAFQNDHTD-VIFPVBQESA-N 1 2 250.327 0.725 20 30 CCEDLO CNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000589990868 359415183 /nfs/dbraw/zinc/41/51/83/359415183.db2.gz PTAOLCFPQANLIT-CQSZACIVSA-N 1 2 290.342 0.754 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(C#N)n1 ZINC000589485718 359386965 /nfs/dbraw/zinc/38/69/65/359386965.db2.gz UGSAILBDXKAMRU-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@H](C)[N@H+]1C ZINC000590819218 359525454 /nfs/dbraw/zinc/52/54/54/359525454.db2.gz AFAZNDTUOGIGAG-AOOOYVTPSA-N 1 2 276.344 0.270 20 30 CCEDLO C[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000590819218 359525463 /nfs/dbraw/zinc/52/54/63/359525463.db2.gz AFAZNDTUOGIGAG-AOOOYVTPSA-N 1 2 276.344 0.270 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000590737010 359512978 /nfs/dbraw/zinc/51/29/78/359512978.db2.gz IEFGWMLYTQTOTP-RKDXNWHRSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000590737010 359512983 /nfs/dbraw/zinc/51/29/83/359512983.db2.gz IEFGWMLYTQTOTP-RKDXNWHRSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000591048167 359549792 /nfs/dbraw/zinc/54/97/92/359549792.db2.gz FAPHAZKNOGMUKW-BBRMVZONSA-N 1 2 288.347 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000591048167 359549796 /nfs/dbraw/zinc/54/97/96/359549796.db2.gz FAPHAZKNOGMUKW-BBRMVZONSA-N 1 2 288.347 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591056213 359550582 /nfs/dbraw/zinc/55/05/82/359550582.db2.gz DBPBOCONNLCXPO-GXFFZTMASA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591056213 359550588 /nfs/dbraw/zinc/55/05/88/359550588.db2.gz DBPBOCONNLCXPO-GXFFZTMASA-N 1 2 255.314 0.989 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC12CC2 ZINC000591529034 359598737 /nfs/dbraw/zinc/59/87/37/359598737.db2.gz LWUYUNBHCZIOII-ZDUSSCGKSA-N 1 2 277.368 0.861 20 30 CCEDLO COC(=O)C[C@]1([NH2+]Cc2ccncc2C#N)CCOC1 ZINC000592102206 359756001 /nfs/dbraw/zinc/75/60/01/359756001.db2.gz FNYUQYVDYRHKCZ-CQSZACIVSA-N 1 2 275.308 0.765 20 30 CCEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148514 359767260 /nfs/dbraw/zinc/76/72/60/359767260.db2.gz ZHXNPCZFVBSMEP-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148514 359767264 /nfs/dbraw/zinc/76/72/64/359767264.db2.gz ZHXNPCZFVBSMEP-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592151629 359770307 /nfs/dbraw/zinc/77/03/07/359770307.db2.gz OUQKJWUDLKPBLL-CYBMUJFWSA-N 1 2 262.313 0.595 20 30 CCEDLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592151629 359770310 /nfs/dbraw/zinc/77/03/10/359770310.db2.gz OUQKJWUDLKPBLL-CYBMUJFWSA-N 1 2 262.313 0.595 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000620609594 366545346 /nfs/dbraw/zinc/54/53/46/366545346.db2.gz CAQXYBPZUVUZBC-SECBINFHSA-N 1 2 260.301 0.689 20 30 CCEDLO N#CCCN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000611174150 363670511 /nfs/dbraw/zinc/67/05/11/363670511.db2.gz XHKMEAPBNMVOPO-UHFFFAOYSA-N 1 2 278.316 0.323 20 30 CCEDLO CC(C)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000611173805 363670766 /nfs/dbraw/zinc/67/07/66/363670766.db2.gz LRDOKWOIZFPEKM-CYBMUJFWSA-N 1 2 264.373 0.527 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCCC[N@H+]2C)[nH]n1CCC#N ZINC000611247645 363696995 /nfs/dbraw/zinc/69/69/95/363696995.db2.gz BOHFMATXQXMUNR-GFCCVEGCSA-N 1 2 275.356 0.950 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCCC[N@@H+]2C)[nH]n1CCC#N ZINC000611247645 363696996 /nfs/dbraw/zinc/69/69/96/363696996.db2.gz BOHFMATXQXMUNR-GFCCVEGCSA-N 1 2 275.356 0.950 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C#N)nc1 ZINC000593154443 360048481 /nfs/dbraw/zinc/04/84/81/360048481.db2.gz KCIAOQODDMZTCE-ZDUSSCGKSA-N 1 2 257.297 0.527 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CCN2C1=O ZINC000593961017 360222252 /nfs/dbraw/zinc/22/22/52/360222252.db2.gz NEMPPTWJPCIOME-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CCN2C1=O ZINC000593961017 360222256 /nfs/dbraw/zinc/22/22/56/360222256.db2.gz NEMPPTWJPCIOME-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000594009412 360232627 /nfs/dbraw/zinc/23/26/27/360232627.db2.gz KWCKIZYWDGEZGL-QWRGUYRKSA-N 1 2 280.372 0.394 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000594011624 360234911 /nfs/dbraw/zinc/23/49/11/360234911.db2.gz DKWDQCIEQSLNEG-SSDOTTSWSA-N 1 2 280.250 0.656 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000611431965 363718288 /nfs/dbraw/zinc/71/82/88/363718288.db2.gz IMQGNNFMKGKPEA-JKSUJKDBSA-N 1 2 294.443 0.873 20 30 CCEDLO C=C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)C(=O)OC ZINC000594709758 360363546 /nfs/dbraw/zinc/36/35/46/360363546.db2.gz HNIRRKMJXODBSM-SNVBAGLBSA-N 1 2 275.370 0.519 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000594715129 360365030 /nfs/dbraw/zinc/36/50/30/360365030.db2.gz OPSDENTXXPTKTJ-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO CSCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901840 360412141 /nfs/dbraw/zinc/41/21/41/360412141.db2.gz LLZIZNYNOHAIIX-UHFFFAOYSA-N 1 2 293.392 0.915 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000595301554 360488516 /nfs/dbraw/zinc/48/85/16/360488516.db2.gz LEFFWSQNGSVNQO-QWRGUYRKSA-N 1 2 267.329 0.242 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000595301554 360488517 /nfs/dbraw/zinc/48/85/17/360488517.db2.gz LEFFWSQNGSVNQO-QWRGUYRKSA-N 1 2 267.329 0.242 20 30 CCEDLO COCCN1CC[N@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595408139 360523409 /nfs/dbraw/zinc/52/34/09/360523409.db2.gz NLYPOJCILOZLDO-UHFFFAOYSA-N 1 2 287.363 0.891 20 30 CCEDLO COCCN1CC[N@@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595408139 360523410 /nfs/dbraw/zinc/52/34/10/360523410.db2.gz NLYPOJCILOZLDO-UHFFFAOYSA-N 1 2 287.363 0.891 20 30 CCEDLO C[C@@]1(C#N)CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000595435147 360532544 /nfs/dbraw/zinc/53/25/44/360532544.db2.gz KTIYKVPNNONGID-ZDUSSCGKSA-N 1 2 266.345 0.264 20 30 CCEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC000595344722 360503282 /nfs/dbraw/zinc/50/32/82/360503282.db2.gz ONFPUGJICOUQHP-UHFFFAOYSA-N 1 2 267.354 0.940 20 30 CCEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000595344722 360503286 /nfs/dbraw/zinc/50/32/86/360503286.db2.gz ONFPUGJICOUQHP-UHFFFAOYSA-N 1 2 267.354 0.940 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCn2c[nH+]cc2C1 ZINC000595492516 360549288 /nfs/dbraw/zinc/54/92/88/360549288.db2.gz WQFPHSJAQKJBOD-LLVKDONJSA-N 1 2 273.340 0.650 20 30 CCEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000595632371 360602291 /nfs/dbraw/zinc/60/22/91/360602291.db2.gz WGAOOZUNYYXREY-NSHDSACASA-N 1 2 276.365 0.630 20 30 CCEDLO CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)C#N ZINC000595815178 360665394 /nfs/dbraw/zinc/66/53/94/360665394.db2.gz MGUXRKXJJVZLGD-CYBMUJFWSA-N 1 2 296.415 0.447 20 30 CCEDLO N#Cc1cnnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000596120750 360802962 /nfs/dbraw/zinc/80/29/62/360802962.db2.gz LSFGYHAKWYTXRM-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3cc(C#N)cnn3)CC2)cn1 ZINC000596116748 360800301 /nfs/dbraw/zinc/80/03/01/360800301.db2.gz WKBUKAHIUHNYHT-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000596170895 360821316 /nfs/dbraw/zinc/82/13/16/360821316.db2.gz YWRJUQQJUJWUSV-CQSZACIVSA-N 1 2 294.362 0.913 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)cnn1 ZINC000596231594 360846472 /nfs/dbraw/zinc/84/64/72/360846472.db2.gz LKGHICOHBJGPMC-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc(C#N)ncn1 ZINC000596432705 360893176 /nfs/dbraw/zinc/89/31/76/360893176.db2.gz RXIZQAVRTCBEPX-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc(C#N)ncn1 ZINC000596432705 360893178 /nfs/dbraw/zinc/89/31/78/360893178.db2.gz RXIZQAVRTCBEPX-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596548659 360919272 /nfs/dbraw/zinc/91/92/72/360919272.db2.gz AKIVVDVHFHOJNC-NWDGAFQWSA-N 1 2 266.345 0.262 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000597132158 361011837 /nfs/dbraw/zinc/01/18/37/361011837.db2.gz GYUGQDWVVBEBJC-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000597132158 361011841 /nfs/dbraw/zinc/01/18/41/361011841.db2.gz GYUGQDWVVBEBJC-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(C#N)o3)C[C@H]21 ZINC000597215960 361033346 /nfs/dbraw/zinc/03/33/46/361033346.db2.gz QWBZXMBCKLTLNU-XQQFMLRXSA-N 1 2 296.348 0.395 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(C#N)o3)C[C@H]21 ZINC000597215960 361033351 /nfs/dbraw/zinc/03/33/51/361033351.db2.gz QWBZXMBCKLTLNU-XQQFMLRXSA-N 1 2 296.348 0.395 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@H](C)CC#N)CC2)cc[nH+]1 ZINC000597504357 361118947 /nfs/dbraw/zinc/11/89/47/361118947.db2.gz LHBYEVLHKCLXHN-LLVKDONJSA-N 1 2 273.340 0.983 20 30 CCEDLO N#CC1(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000597626375 361167396 /nfs/dbraw/zinc/16/73/96/361167396.db2.gz SRKHGUWPLKBIAT-GFCCVEGCSA-N 1 2 262.357 0.186 20 30 CCEDLO N#CC1(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000597626375 361167402 /nfs/dbraw/zinc/16/74/02/361167402.db2.gz SRKHGUWPLKBIAT-GFCCVEGCSA-N 1 2 262.357 0.186 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000563919853 291258347 /nfs/dbraw/zinc/25/83/47/291258347.db2.gz JZJZFWMBNSAQMB-UHFFFAOYSA-N 1 2 289.320 0.354 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)[C@@H](C)CO1 ZINC000597994078 361301747 /nfs/dbraw/zinc/30/17/47/361301747.db2.gz IINDSANWBDVOGD-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)[C@@H](C)CO1 ZINC000597994078 361301754 /nfs/dbraw/zinc/30/17/54/361301754.db2.gz IINDSANWBDVOGD-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO COc1cc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)on1 ZINC000598836907 361523294 /nfs/dbraw/zinc/52/32/94/361523294.db2.gz RVHPIYBDQPYUOG-CYBMUJFWSA-N 1 2 280.328 0.576 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598944279 361536610 /nfs/dbraw/zinc/53/66/10/361536610.db2.gz LTFUUHANNZVQAK-ZDUSSCGKSA-N 1 2 281.319 0.908 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC000598949050 361537606 /nfs/dbraw/zinc/53/76/06/361537606.db2.gz SRYDATKKSFUGIE-GFCCVEGCSA-N 1 2 296.334 0.115 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946836 361537780 /nfs/dbraw/zinc/53/77/80/361537780.db2.gz JIFIRSOOWSZFAH-NSHDSACASA-N 1 2 269.308 0.838 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598946740 361538324 /nfs/dbraw/zinc/53/83/24/361538324.db2.gz INOICPLYVQHWOH-SNVBAGLBSA-N 1 2 288.355 0.008 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cnc(N)nc2C1 ZINC000598946740 361538330 /nfs/dbraw/zinc/53/83/30/361538330.db2.gz INOICPLYVQHWOH-SNVBAGLBSA-N 1 2 288.355 0.008 20 30 CCEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000599054718 361561866 /nfs/dbraw/zinc/56/18/66/361561866.db2.gz MPOUDHLFCHCWRH-RYUDHWBXSA-N 1 2 295.350 0.973 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCC#N ZINC000598983347 361546047 /nfs/dbraw/zinc/54/60/47/361546047.db2.gz GUSQJZYFWCELNT-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCC#N ZINC000598983347 361546050 /nfs/dbraw/zinc/54/60/50/361546050.db2.gz GUSQJZYFWCELNT-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000599161127 361592890 /nfs/dbraw/zinc/59/28/90/361592890.db2.gz SZZVNRWYUDFFHP-SECBINFHSA-N 1 2 266.732 0.771 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000599161127 361592892 /nfs/dbraw/zinc/59/28/92/361592892.db2.gz SZZVNRWYUDFFHP-SECBINFHSA-N 1 2 266.732 0.771 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000599193546 361607641 /nfs/dbraw/zinc/60/76/41/361607641.db2.gz LJASFYZJDBSYQP-AAEUAGOBSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000599193546 361607645 /nfs/dbraw/zinc/60/76/45/361607645.db2.gz LJASFYZJDBSYQP-AAEUAGOBSA-N 1 2 266.345 0.262 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599444509 361705915 /nfs/dbraw/zinc/70/59/15/361705915.db2.gz YQAZSLQWSAFWAX-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599444509 361705917 /nfs/dbraw/zinc/70/59/17/361705917.db2.gz YQAZSLQWSAFWAX-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)nn1 ZINC000612166769 363858480 /nfs/dbraw/zinc/85/84/80/363858480.db2.gz RRHWCRMXTPEDHI-AWEZNQCLSA-N 1 2 291.355 0.619 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@](C)(C#N)C2)nn1 ZINC000612166769 363858483 /nfs/dbraw/zinc/85/84/83/363858483.db2.gz RRHWCRMXTPEDHI-AWEZNQCLSA-N 1 2 291.355 0.619 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612697509 363994176 /nfs/dbraw/zinc/99/41/76/363994176.db2.gz WJNDFCMVDZAGPT-RISCZKNCSA-N 1 2 290.367 0.854 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612697509 363994182 /nfs/dbraw/zinc/99/41/82/363994182.db2.gz WJNDFCMVDZAGPT-RISCZKNCSA-N 1 2 290.367 0.854 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000613394805 364237195 /nfs/dbraw/zinc/23/71/95/364237195.db2.gz OJMCKVPZIWFFLY-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613394805 364237202 /nfs/dbraw/zinc/23/72/02/364237202.db2.gz OJMCKVPZIWFFLY-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615551721 365004987 /nfs/dbraw/zinc/00/49/87/365004987.db2.gz ZFGNKZIKPJAESA-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000625729579 368306572 /nfs/dbraw/zinc/30/65/72/368306572.db2.gz COMLBRCZFOVABB-GFCCVEGCSA-N 1 2 270.398 0.898 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006451 368394057 /nfs/dbraw/zinc/39/40/57/368394057.db2.gz YITUQOMYAKZCIT-NEPJUHHUSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006451 368394059 /nfs/dbraw/zinc/39/40/59/368394059.db2.gz YITUQOMYAKZCIT-NEPJUHHUSA-N 1 2 256.321 0.834 20 30 CCEDLO C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C(N)=O)C1 ZINC000574205644 335000874 /nfs/dbraw/zinc/00/08/74/335000874.db2.gz GEXIJZMQEOHXKQ-GWCFXTLKSA-N 1 2 298.350 0.687 20 30 CCEDLO C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C(N)=O)C1 ZINC000574205644 335000876 /nfs/dbraw/zinc/00/08/76/335000876.db2.gz GEXIJZMQEOHXKQ-GWCFXTLKSA-N 1 2 298.350 0.687 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574253608 335004164 /nfs/dbraw/zinc/00/41/64/335004164.db2.gz FJAJXTSPDZXJLT-YPMHNXCESA-N 1 2 253.346 0.928 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685024 261117703 /nfs/dbraw/zinc/11/77/03/261117703.db2.gz BRIQRONCKJAOCR-UHFFFAOYSA-N 1 2 278.400 0.920 20 30 CCEDLO Cc1onc(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000330751228 203190184 /nfs/dbraw/zinc/19/01/84/203190184.db2.gz ZCEFUINDSGHMOC-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916494 369455930 /nfs/dbraw/zinc/45/59/30/369455930.db2.gz IDXHIMLSQZPJGM-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916494 369455935 /nfs/dbraw/zinc/45/59/35/369455935.db2.gz IDXHIMLSQZPJGM-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633143972 371414467 /nfs/dbraw/zinc/41/44/67/371414467.db2.gz WHWDIJBRDZEDOI-UHFFFAOYSA-N 1 2 287.367 0.370 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636005614 373232509 /nfs/dbraw/zinc/23/25/09/373232509.db2.gz LCNNWBWCOVHLRZ-LLVKDONJSA-N 1 2 251.330 0.958 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637193800 373992820 /nfs/dbraw/zinc/99/28/20/373992820.db2.gz CUWNBMRDYFWCGS-UHTWSYAYSA-N 1 2 276.340 0.841 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H](C)COC ZINC000637440418 374153561 /nfs/dbraw/zinc/15/35/61/374153561.db2.gz KILDRGZLEIUOKW-QWHCGFSZSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H](C)COC ZINC000637440418 374153568 /nfs/dbraw/zinc/15/35/68/374153568.db2.gz KILDRGZLEIUOKW-QWHCGFSZSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000639532119 375825218 /nfs/dbraw/zinc/82/52/18/375825218.db2.gz RYSAYOSXOYCUBC-RYUDHWBXSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000639532119 375825221 /nfs/dbraw/zinc/82/52/21/375825221.db2.gz RYSAYOSXOYCUBC-RYUDHWBXSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CCOCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639721555 375949206 /nfs/dbraw/zinc/94/92/06/375949206.db2.gz PZRGRRQQBVDBGV-UHFFFAOYSA-N 1 2 251.334 0.125 20 30 CCEDLO C=CCOCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639721555 375949213 /nfs/dbraw/zinc/94/92/13/375949213.db2.gz PZRGRRQQBVDBGV-UHFFFAOYSA-N 1 2 251.334 0.125 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000264151363 190093445 /nfs/dbraw/zinc/09/34/45/190093445.db2.gz IRRNXKDIYPAUNE-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000264151363 190093446 /nfs/dbraw/zinc/09/34/46/190093446.db2.gz IRRNXKDIYPAUNE-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)CC)nn1 ZINC000640903831 376608731 /nfs/dbraw/zinc/60/87/31/376608731.db2.gz PLDZUMGICBTPPI-RYUDHWBXSA-N 1 2 277.372 0.867 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](C)CC)nn1 ZINC000640903826 376609145 /nfs/dbraw/zinc/60/91/45/376609145.db2.gz PLDZUMGICBTPPI-NWDGAFQWSA-N 1 2 277.372 0.867 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nccc(N)n2)nn1 ZINC000641160455 376826496 /nfs/dbraw/zinc/82/64/96/376826496.db2.gz QTMHESQJQSPVHE-SNVBAGLBSA-N 1 2 271.328 0.203 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000642338809 377561916 /nfs/dbraw/zinc/56/19/16/377561916.db2.gz JHVGVGOIGGITIO-UHFFFAOYSA-N 1 2 289.379 0.812 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(Br)c1 ZINC000278541856 194034584 /nfs/dbraw/zinc/03/45/84/194034584.db2.gz AIAXFLALFKUCII-VXGBXAGGSA-N 1 2 297.152 0.858 20 30 CCEDLO C=CCCOCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000684068900 545607519 /nfs/dbraw/zinc/60/75/19/545607519.db2.gz CXONZVDABWYJCL-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO N#Cc1c2c(cnc1NC[C@@H]1C[NH+]3CCN1CC3)CCC2 ZINC000574751547 335044304 /nfs/dbraw/zinc/04/43/04/335044304.db2.gz WPTNYOHQAYWSQX-CYBMUJFWSA-N 1 2 283.379 0.854 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000185496821 388805709 /nfs/dbraw/zinc/80/57/09/388805709.db2.gz YMRRZXDCEJZVCN-MCIONIFRSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000185496821 388805712 /nfs/dbraw/zinc/80/57/12/388805712.db2.gz YMRRZXDCEJZVCN-MCIONIFRSA-N 1 2 290.319 0.200 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000285966182 388819653 /nfs/dbraw/zinc/81/96/53/388819653.db2.gz NVRYHFDGLSYHLX-CYBMUJFWSA-N 1 2 274.324 0.869 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000285966182 388819655 /nfs/dbraw/zinc/81/96/55/388819655.db2.gz NVRYHFDGLSYHLX-CYBMUJFWSA-N 1 2 274.324 0.869 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(N)=O)CC1 ZINC000186288782 388831501 /nfs/dbraw/zinc/83/15/01/388831501.db2.gz FMCCWBOKYWANSU-GFCCVEGCSA-N 1 2 272.352 0.722 20 30 CCEDLO N#Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ccn1 ZINC000286082256 388833393 /nfs/dbraw/zinc/83/33/93/388833393.db2.gz CYGFWLCOMMKCPW-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ccn1 ZINC000286082256 388833398 /nfs/dbraw/zinc/83/33/98/388833398.db2.gz CYGFWLCOMMKCPW-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834319 388927299 /nfs/dbraw/zinc/92/72/99/388927299.db2.gz JTCPGALSYVHHRF-AWEZNQCLSA-N 1 2 287.363 0.852 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834319 388927300 /nfs/dbraw/zinc/92/73/00/388927300.db2.gz JTCPGALSYVHHRF-AWEZNQCLSA-N 1 2 287.363 0.852 20 30 CCEDLO C#CCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000292935333 388970449 /nfs/dbraw/zinc/97/04/49/388970449.db2.gz KPOYWKGVESBNOX-LBPRGKRZSA-N 1 2 258.325 0.935 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000073353759 388975858 /nfs/dbraw/zinc/97/58/58/388975858.db2.gz PNHUCNOZYICITP-UHFFFAOYSA-N 1 2 279.365 0.803 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)[N@H+]1C ZINC000293847974 388988411 /nfs/dbraw/zinc/98/84/11/388988411.db2.gz RCRFDHZZLKECPB-AOOOYVTPSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)[N@@H+]1C ZINC000293847974 388988417 /nfs/dbraw/zinc/98/84/17/388988417.db2.gz RCRFDHZZLKECPB-AOOOYVTPSA-N 1 2 283.353 0.864 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)CC)CC1 ZINC000191283786 389009387 /nfs/dbraw/zinc/00/93/87/389009387.db2.gz KNQKGCFMGIXHDM-CQSZACIVSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)CC)CC1 ZINC000191283786 389009389 /nfs/dbraw/zinc/00/93/89/389009389.db2.gz KNQKGCFMGIXHDM-CQSZACIVSA-N 1 2 293.411 0.706 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncccn1 ZINC000192054526 389024637 /nfs/dbraw/zinc/02/46/37/389024637.db2.gz JKJBOWWPMSNJCN-UHFFFAOYSA-N 1 2 275.356 0.524 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@@](=O)CC[C@@H]2C)C1=O ZINC000337220313 389055730 /nfs/dbraw/zinc/05/57/30/389055730.db2.gz BYCDKMQRFUVDLV-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@@](=O)CC[C@@H]2C)C1=O ZINC000337220313 389055731 /nfs/dbraw/zinc/05/57/31/389055731.db2.gz BYCDKMQRFUVDLV-PZROIBLQSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)OC)C2CC2)C1=O ZINC000337236804 389058120 /nfs/dbraw/zinc/05/81/20/389058120.db2.gz YHZNRWCWMVSURI-NWDGAFQWSA-N 1 2 266.341 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)OC)C2CC2)C1=O ZINC000337236804 389058124 /nfs/dbraw/zinc/05/81/24/389058124.db2.gz YHZNRWCWMVSURI-NWDGAFQWSA-N 1 2 266.341 0.657 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000101548921 389072937 /nfs/dbraw/zinc/07/29/37/389072937.db2.gz AOUKLBGTEPUSBU-CQSZACIVSA-N 1 2 261.325 0.279 20 30 CCEDLO COc1cc(OC[C@@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000193766161 389079572 /nfs/dbraw/zinc/07/95/72/389079572.db2.gz DKQRGNJAMAABQY-ZDUSSCGKSA-N 1 2 292.335 0.639 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000305772360 389089048 /nfs/dbraw/zinc/08/90/48/389089048.db2.gz KYSRMXKNTNJMOS-GXSJLCMTSA-N 1 2 293.289 0.650 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000305772360 389089051 /nfs/dbraw/zinc/08/90/51/389089051.db2.gz KYSRMXKNTNJMOS-GXSJLCMTSA-N 1 2 293.289 0.650 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000328937855 389146577 /nfs/dbraw/zinc/14/65/77/389146577.db2.gz DCOUAEWWJVKLPH-QWRGUYRKSA-N 1 2 280.328 0.933 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000328937855 389146580 /nfs/dbraw/zinc/14/65/80/389146580.db2.gz DCOUAEWWJVKLPH-QWRGUYRKSA-N 1 2 280.328 0.933 20 30 CCEDLO Cc1ncc(C[NH+]2CCN(CC(=O)NCC#N)CC2)s1 ZINC000108867271 389099109 /nfs/dbraw/zinc/09/91/09/389099109.db2.gz JLDNCXFZKBWBPH-UHFFFAOYSA-N 1 2 293.396 0.209 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000111334157 389104853 /nfs/dbraw/zinc/10/48/53/389104853.db2.gz ZJMZFMPKMABOIE-UHFFFAOYSA-N 1 2 257.359 0.400 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCOCCC#N)CC1 ZINC000338884647 389118341 /nfs/dbraw/zinc/11/83/41/389118341.db2.gz YCWLJZMSPWFTEA-CYBMUJFWSA-N 1 2 294.399 0.201 20 30 CCEDLO C#CC[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000195343782 389124267 /nfs/dbraw/zinc/12/42/67/389124267.db2.gz ONGRRAHADBCIHR-UHFFFAOYSA-N 1 2 277.328 0.875 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC000356870772 389129630 /nfs/dbraw/zinc/12/96/30/389129630.db2.gz HPBDFMWXHOHDAU-RYUDHWBXSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC000356870772 389129632 /nfs/dbraw/zinc/12/96/32/389129632.db2.gz HPBDFMWXHOHDAU-RYUDHWBXSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CC[C@@H](CC)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000357705217 389137594 /nfs/dbraw/zinc/13/75/94/389137594.db2.gz NKIMHAWCPXBWQV-LLVKDONJSA-N 1 2 294.403 0.128 20 30 CCEDLO C=CC[C@@H](CC)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000357705217 389137597 /nfs/dbraw/zinc/13/75/97/389137597.db2.gz NKIMHAWCPXBWQV-LLVKDONJSA-N 1 2 294.403 0.128 20 30 CCEDLO C=CC[C@@H](CC)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000357705217 389137599 /nfs/dbraw/zinc/13/75/99/389137599.db2.gz NKIMHAWCPXBWQV-LLVKDONJSA-N 1 2 294.403 0.128 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000328803799 389139089 /nfs/dbraw/zinc/13/90/89/389139089.db2.gz HEIJICGPNKQJSA-QWRGUYRKSA-N 1 2 291.355 0.354 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329687988 389188244 /nfs/dbraw/zinc/18/82/44/389188244.db2.gz FYJVWIRYNINQIZ-QWRGUYRKSA-N 1 2 294.355 0.528 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329687988 389188246 /nfs/dbraw/zinc/18/82/46/389188246.db2.gz FYJVWIRYNINQIZ-QWRGUYRKSA-N 1 2 294.355 0.528 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000129571196 389190173 /nfs/dbraw/zinc/19/01/73/389190173.db2.gz OMPCJSLSVFNVJR-VIFPVBQESA-N 1 2 252.318 0.551 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000129571196 389190174 /nfs/dbraw/zinc/19/01/74/389190174.db2.gz OMPCJSLSVFNVJR-VIFPVBQESA-N 1 2 252.318 0.551 20 30 CCEDLO CC(=O)NC1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329844395 389206119 /nfs/dbraw/zinc/20/61/19/389206119.db2.gz PWJHNLUWQSRWTD-SNVBAGLBSA-N 1 2 277.328 0.773 20 30 CCEDLO C[C@@H](C(=O)Nc1cn(C)nn1)[NH+]1CCSCC1 ZINC000329733365 389193987 /nfs/dbraw/zinc/19/39/87/389193987.db2.gz JOGRFRZTHKTVAL-QMMMGPOBSA-N 1 2 255.347 0.840 20 30 CCEDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000329739562 389195246 /nfs/dbraw/zinc/19/52/46/389195246.db2.gz UXXRZFVGTAWNPJ-ADEWGFFLSA-N 1 2 279.344 0.400 20 30 CCEDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000329739562 389195249 /nfs/dbraw/zinc/19/52/49/389195249.db2.gz UXXRZFVGTAWNPJ-ADEWGFFLSA-N 1 2 279.344 0.400 20 30 CCEDLO C[C@@H](C(=O)NCC(=O)C1CC1)N1CC[NH+](C)CC1 ZINC000329346524 389158289 /nfs/dbraw/zinc/15/82/89/389158289.db2.gz VFHLAKHDYSBRQE-JTQLQIEISA-N 1 2 253.346 0.558 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCn2cccn2)C1 ZINC000329401869 389161897 /nfs/dbraw/zinc/16/18/97/389161897.db2.gz ZDLQTBUQGVZBMY-GFCCVEGCSA-N 1 2 265.361 0.476 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCn2cccn2)C1 ZINC000329401869 389161900 /nfs/dbraw/zinc/16/19/00/389161900.db2.gz ZDLQTBUQGVZBMY-GFCCVEGCSA-N 1 2 265.361 0.476 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329501513 389167452 /nfs/dbraw/zinc/16/74/52/389167452.db2.gz HPXYPBOURUXNOP-NWDGAFQWSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329501513 389167456 /nfs/dbraw/zinc/16/74/56/389167456.db2.gz HPXYPBOURUXNOP-NWDGAFQWSA-N 1 2 277.328 0.345 20 30 CCEDLO CN1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000329540041 389169383 /nfs/dbraw/zinc/16/93/83/389169383.db2.gz CSCBDGRNSZLRFC-RKDXNWHRSA-N 1 2 277.328 0.001 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CCOCC(F)(F)C1 ZINC000329551646 389170356 /nfs/dbraw/zinc/17/03/56/389170356.db2.gz JNWFKKNTXSDBLE-UHFFFAOYSA-N 1 2 293.314 0.200 20 30 CCEDLO COCCC1(C)CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329556117 389170994 /nfs/dbraw/zinc/17/09/94/389170994.db2.gz BQNBXVFHXRPNII-LBPRGKRZSA-N 1 2 285.388 0.589 20 30 CCEDLO COCCC1(C)CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329556117 389170996 /nfs/dbraw/zinc/17/09/96/389170996.db2.gz BQNBXVFHXRPNII-LBPRGKRZSA-N 1 2 285.388 0.589 20 30 CCEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329562837 389171264 /nfs/dbraw/zinc/17/12/64/389171264.db2.gz NFYFWTGMDUARHJ-AVGNSLFASA-N 1 2 278.356 0.808 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000329600527 389174314 /nfs/dbraw/zinc/17/43/14/389174314.db2.gz KDWBVVYMTOBECD-KOLCDFICSA-N 1 2 252.318 0.849 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@@H]1CCOC1 ZINC000329617541 389177344 /nfs/dbraw/zinc/17/73/44/389177344.db2.gz QDSRYRAFNKNXNR-QNWHQSFQSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H]1CCOC1 ZINC000329617541 389177345 /nfs/dbraw/zinc/17/73/45/389177345.db2.gz QDSRYRAFNKNXNR-QNWHQSFQSA-N 1 2 283.372 0.340 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000128360818 389177602 /nfs/dbraw/zinc/17/76/02/389177602.db2.gz MQLZYHBFKIOBRN-UHFFFAOYSA-N 1 2 258.321 0.843 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329627435 389178637 /nfs/dbraw/zinc/17/86/37/389178637.db2.gz PIFQKXHRNSYKFK-RKDXNWHRSA-N 1 2 277.328 0.842 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329627435 389178640 /nfs/dbraw/zinc/17/86/40/389178640.db2.gz PIFQKXHRNSYKFK-RKDXNWHRSA-N 1 2 277.328 0.842 20 30 CCEDLO Cc1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(C#N)c1C ZINC000362758939 389241264 /nfs/dbraw/zinc/24/12/64/389241264.db2.gz MOKVZZJPBVHXDD-ZDUSSCGKSA-N 1 2 287.367 0.876 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330607279 389245866 /nfs/dbraw/zinc/24/58/66/389245866.db2.gz LJVMZZJEKHABOD-MRVPVSSYSA-N 1 2 283.288 0.343 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330607279 389245868 /nfs/dbraw/zinc/24/58/68/389245868.db2.gz LJVMZZJEKHABOD-MRVPVSSYSA-N 1 2 283.288 0.343 20 30 CCEDLO CC[C@](C)(O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330640940 389248407 /nfs/dbraw/zinc/24/84/07/389248407.db2.gz QLKSGQQDOBCLEG-AWEZNQCLSA-N 1 2 287.404 0.762 20 30 CCEDLO CC[C@](C)(O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330640940 389248410 /nfs/dbraw/zinc/24/84/10/389248410.db2.gz QLKSGQQDOBCLEG-AWEZNQCLSA-N 1 2 287.404 0.762 20 30 CCEDLO Cn1ncc2c1nc(N1CCC(F)(C#N)CC1)[nH+]c2N ZINC000343240640 389261179 /nfs/dbraw/zinc/26/11/79/389261179.db2.gz VYAASFRVKXVZEC-UHFFFAOYSA-N 1 2 275.291 0.778 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329026 389265118 /nfs/dbraw/zinc/26/51/18/389265118.db2.gz CWFUETBJVYTZLD-ZNMIVQPWSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343329026 389265121 /nfs/dbraw/zinc/26/51/21/389265121.db2.gz CWFUETBJVYTZLD-ZNMIVQPWSA-N 1 2 294.395 0.947 20 30 CCEDLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@]2(CCOC2)O1 ZINC000329957279 389214518 /nfs/dbraw/zinc/21/45/18/389214518.db2.gz LVEBJDUSDNFLAD-RISCZKNCSA-N 1 2 294.355 0.714 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000342483385 389218970 /nfs/dbraw/zinc/21/89/70/389218970.db2.gz DTRJGODZBWRXEF-VXGBXAGGSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000342483385 389218973 /nfs/dbraw/zinc/21/89/73/389218973.db2.gz DTRJGODZBWRXEF-VXGBXAGGSA-N 1 2 254.378 0.496 20 30 CCEDLO CC#CCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000361634754 389220697 /nfs/dbraw/zinc/22/06/97/389220697.db2.gz CEAABPCQLHECCQ-UHFFFAOYSA-N 1 2 275.356 0.650 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000361807580 389225034 /nfs/dbraw/zinc/22/50/34/389225034.db2.gz BIFOJBUKLKQHEY-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000361807580 389225035 /nfs/dbraw/zinc/22/50/35/389225035.db2.gz BIFOJBUKLKQHEY-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330401606 389225210 /nfs/dbraw/zinc/22/52/10/389225210.db2.gz KMBOVMYHIVXQGT-GHMZBOCLSA-N 1 2 296.371 0.027 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330401606 389225213 /nfs/dbraw/zinc/22/52/13/389225213.db2.gz KMBOVMYHIVXQGT-GHMZBOCLSA-N 1 2 296.371 0.027 20 30 CCEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246882604 389232788 /nfs/dbraw/zinc/23/27/88/389232788.db2.gz BALABDCAFHDRIA-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246882604 389232791 /nfs/dbraw/zinc/23/27/91/389232791.db2.gz BALABDCAFHDRIA-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000330504154 389236185 /nfs/dbraw/zinc/23/61/85/389236185.db2.gz DNCCCFYYSYOLQA-UHFFFAOYSA-N 1 2 278.400 0.967 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247467244 389240437 /nfs/dbraw/zinc/24/04/37/389240437.db2.gz UXZGHKLLHWLZEL-RWMBFGLXSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247467244 389240438 /nfs/dbraw/zinc/24/04/38/389240438.db2.gz UXZGHKLLHWLZEL-RWMBFGLXSA-N 1 2 268.357 0.557 20 30 CCEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000345718933 389312871 /nfs/dbraw/zinc/31/28/71/389312871.db2.gz FFUVOUUPKKCATJ-GFCCVEGCSA-N 1 2 290.371 0.678 20 30 CCEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000345718933 389312872 /nfs/dbraw/zinc/31/28/72/389312872.db2.gz FFUVOUUPKKCATJ-GFCCVEGCSA-N 1 2 290.371 0.678 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000264386074 389324845 /nfs/dbraw/zinc/32/48/45/389324845.db2.gz MDADQFUWMMKECP-LBPRGKRZSA-N 1 2 285.388 0.233 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000264386074 389324847 /nfs/dbraw/zinc/32/48/47/389324847.db2.gz MDADQFUWMMKECP-LBPRGKRZSA-N 1 2 285.388 0.233 20 30 CCEDLO CCCCC[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000346982621 389342830 /nfs/dbraw/zinc/34/28/30/389342830.db2.gz ZDGRYNSZDMBHFJ-UHFFFAOYSA-N 1 2 280.372 0.526 20 30 CCEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000346982621 389342836 /nfs/dbraw/zinc/34/28/36/389342836.db2.gz ZDGRYNSZDMBHFJ-UHFFFAOYSA-N 1 2 280.372 0.526 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(C)[nH+]1 ZINC000268091135 389375555 /nfs/dbraw/zinc/37/55/55/389375555.db2.gz YISHWEHIHFTSSZ-LLVKDONJSA-N 1 2 288.307 0.388 20 30 CCEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000411912539 389460931 /nfs/dbraw/zinc/46/09/31/389460931.db2.gz PNZYTTRUNSBCSD-KBPBESRZSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000411912539 389460933 /nfs/dbraw/zinc/46/09/33/389460933.db2.gz PNZYTTRUNSBCSD-KBPBESRZSA-N 1 2 289.335 0.578 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C#N)CC1 ZINC000171587189 389477038 /nfs/dbraw/zinc/47/70/38/389477038.db2.gz SHVNMTIBPQCHGS-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000171764356 389480731 /nfs/dbraw/zinc/48/07/31/389480731.db2.gz IGLOZNAZXAGAAC-UHFFFAOYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000171764356 389480736 /nfs/dbraw/zinc/48/07/36/389480736.db2.gz IGLOZNAZXAGAAC-UHFFFAOYSA-N 1 2 295.383 0.534 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cccnc1C#N ZINC000349808821 389439666 /nfs/dbraw/zinc/43/96/66/389439666.db2.gz HNYVGWZTYCQABA-UHFFFAOYSA-N 1 2 277.309 0.165 20 30 CCEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(CCC#N)C[C@H]1O ZINC000411680111 389443384 /nfs/dbraw/zinc/44/33/84/389443384.db2.gz XBBPQGHRZPAXHU-VXGBXAGGSA-N 1 2 283.372 0.219 20 30 CCEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(CCC#N)C[C@H]1O ZINC000411680111 389443391 /nfs/dbraw/zinc/44/33/91/389443391.db2.gz XBBPQGHRZPAXHU-VXGBXAGGSA-N 1 2 283.372 0.219 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000176993496 389568770 /nfs/dbraw/zinc/56/87/70/389568770.db2.gz GANAEUVULCUKCC-UHFFFAOYSA-N 1 2 297.330 0.924 20 30 CCEDLO C#CCNC(=O)[C@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373775115 389514393 /nfs/dbraw/zinc/51/43/93/389514393.db2.gz LPFNGRPYNBCXDX-LBPRGKRZSA-N 1 2 274.368 0.789 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374042241 389539916 /nfs/dbraw/zinc/53/99/16/389539916.db2.gz ARTUPPGFVIIOBN-RKDXNWHRSA-N 1 2 275.146 0.484 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374042241 389539919 /nfs/dbraw/zinc/53/99/19/389539919.db2.gz ARTUPPGFVIIOBN-RKDXNWHRSA-N 1 2 275.146 0.484 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(N)=O)c2ccccc2)C1=O ZINC000281254333 389611971 /nfs/dbraw/zinc/61/19/71/389611971.db2.gz HCDXCFITGODWFY-KBPBESRZSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(N)=O)c2ccccc2)C1=O ZINC000281254333 389611973 /nfs/dbraw/zinc/61/19/73/389611973.db2.gz HCDXCFITGODWFY-KBPBESRZSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C)c2C)C1=O ZINC000281381102 389615244 /nfs/dbraw/zinc/61/52/44/389615244.db2.gz WFBIJFVNTHTACG-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C)c2C)C1=O ZINC000281381102 389615248 /nfs/dbraw/zinc/61/52/48/389615248.db2.gz WFBIJFVNTHTACG-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178145202 389598463 /nfs/dbraw/zinc/59/84/63/389598463.db2.gz UYJITWOQQAPIGH-MRVPVSSYSA-N 1 2 280.353 0.421 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000282055335 389652314 /nfs/dbraw/zinc/65/23/14/389652314.db2.gz RVSXZJQFSXUXHW-MWLCHTKSSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000282055335 389652317 /nfs/dbraw/zinc/65/23/17/389652317.db2.gz RVSXZJQFSXUXHW-MWLCHTKSSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)OCC)CC2)C1=O ZINC000282088676 389656780 /nfs/dbraw/zinc/65/67/80/389656780.db2.gz VDCIQDDAZXYKKS-GFCCVEGCSA-N 1 2 281.356 0.547 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cncnc1 ZINC000180585101 389672828 /nfs/dbraw/zinc/67/28/28/389672828.db2.gz RQTJCCGGOQFWIA-GFCCVEGCSA-N 1 2 295.350 0.849 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cncnc1 ZINC000180585101 389672831 /nfs/dbraw/zinc/67/28/31/389672831.db2.gz RQTJCCGGOQFWIA-GFCCVEGCSA-N 1 2 295.350 0.849 20 30 CCEDLO C=CC[N@H+](CCC#N)CCC(=O)N1CCOCC1 ZINC000428839230 389723591 /nfs/dbraw/zinc/72/35/91/389723591.db2.gz JCKZMMYBAGNWHV-UHFFFAOYSA-N 1 2 251.330 0.637 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCC(=O)N1CCOCC1 ZINC000428839230 389723594 /nfs/dbraw/zinc/72/35/94/389723594.db2.gz JCKZMMYBAGNWHV-UHFFFAOYSA-N 1 2 251.330 0.637 20 30 CCEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)NCC#N)c1ccccn1 ZINC000351813309 389688665 /nfs/dbraw/zinc/68/86/65/389688665.db2.gz HBGGZKZANPXFFC-CQSZACIVSA-N 1 2 290.323 0.089 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000428487921 389701153 /nfs/dbraw/zinc/70/11/53/389701153.db2.gz GFBKFYBSCSUWDM-CYBMUJFWSA-N 1 2 263.272 0.119 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000428487921 389701158 /nfs/dbraw/zinc/70/11/58/389701158.db2.gz GFBKFYBSCSUWDM-CYBMUJFWSA-N 1 2 263.272 0.119 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429577678 389761297 /nfs/dbraw/zinc/76/12/97/389761297.db2.gz QHFCNDOKZLSNEZ-DINDLPBHSA-N 1 2 258.387 0.520 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429577678 389761300 /nfs/dbraw/zinc/76/13/00/389761300.db2.gz QHFCNDOKZLSNEZ-DINDLPBHSA-N 1 2 258.387 0.520 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@@H](C)C[N@@H+]1CCO ZINC000416672167 389765737 /nfs/dbraw/zinc/76/57/37/389765737.db2.gz YCVXYTKTFAUJJU-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@@H](C)C[N@H+]1CCO ZINC000416672167 389765738 /nfs/dbraw/zinc/76/57/38/389765738.db2.gz YCVXYTKTFAUJJU-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO COC(=O)[C@H]1CN(c2cc(C)[nH+]cc2C#N)CCO1 ZINC000399385599 389790312 /nfs/dbraw/zinc/79/03/12/389790312.db2.gz LEBBQHDOIUXDBA-GFCCVEGCSA-N 1 2 261.281 0.640 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376351009 389733957 /nfs/dbraw/zinc/73/39/57/389733957.db2.gz SESAYLDILCMOOX-LBPRGKRZSA-N 1 2 281.381 0.953 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000416429174 389742060 /nfs/dbraw/zinc/74/20/60/389742060.db2.gz UYRQGACGWGIIRI-ZYHUDNBSSA-N 1 2 281.337 0.777 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429171162 389742906 /nfs/dbraw/zinc/74/29/06/389742906.db2.gz GNSRVAROYLXABS-UHFFFAOYSA-N 1 2 294.399 0.869 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429171162 389742907 /nfs/dbraw/zinc/74/29/07/389742907.db2.gz GNSRVAROYLXABS-UHFFFAOYSA-N 1 2 294.399 0.869 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000352412798 389807143 /nfs/dbraw/zinc/80/71/43/389807143.db2.gz IZVZNSYNJOUKOR-GFCCVEGCSA-N 1 2 293.392 0.876 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000352412798 389807145 /nfs/dbraw/zinc/80/71/45/389807145.db2.gz IZVZNSYNJOUKOR-GFCCVEGCSA-N 1 2 293.392 0.876 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352478740 389817163 /nfs/dbraw/zinc/81/71/63/389817163.db2.gz ZZYBOVHUOCYXKO-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000407976768 389817750 /nfs/dbraw/zinc/81/77/50/389817750.db2.gz PHKNMYDWVJEGBV-NSHDSACASA-N 1 2 286.401 0.245 20 30 CCEDLO Cn1cc(N2CC[C@@H]([NH+]3CCC(F)(C#N)CC3)C2=O)cn1 ZINC000352491606 389818799 /nfs/dbraw/zinc/81/87/99/389818799.db2.gz RQVUNGMAIXAHDO-GFCCVEGCSA-N 1 2 291.330 0.853 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)C[C@@H]2C)C1=O ZINC000352698123 389836056 /nfs/dbraw/zinc/83/60/56/389836056.db2.gz LWRSUZISHVSAJR-QWHCGFSZSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)C[C@@H]2C)C1=O ZINC000352698123 389836058 /nfs/dbraw/zinc/83/60/58/389836058.db2.gz LWRSUZISHVSAJR-QWHCGFSZSA-N 1 2 251.374 0.799 20 30 CCEDLO CC(C)[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000432830149 389890380 /nfs/dbraw/zinc/89/03/80/389890380.db2.gz SKARKAGUKGJFMV-AWEZNQCLSA-N 1 2 269.389 0.551 20 30 CCEDLO CC(C)[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000432830149 389890383 /nfs/dbraw/zinc/89/03/83/389890383.db2.gz SKARKAGUKGJFMV-AWEZNQCLSA-N 1 2 269.389 0.551 20 30 CCEDLO CC(C)[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000432830149 389890384 /nfs/dbraw/zinc/89/03/84/389890384.db2.gz SKARKAGUKGJFMV-AWEZNQCLSA-N 1 2 269.389 0.551 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434461277 389935035 /nfs/dbraw/zinc/93/50/35/389935035.db2.gz UGAAJYBLYIFQLU-CYBMUJFWSA-N 1 2 297.399 0.335 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448954501 389992201 /nfs/dbraw/zinc/99/22/01/389992201.db2.gz WWGYWCQBRAUIJY-UHFFFAOYSA-N 1 2 290.367 0.989 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000420446879 390006005 /nfs/dbraw/zinc/00/60/05/390006005.db2.gz UOHRCYCBSUCWAG-ZDUSSCGKSA-N 1 2 297.355 0.880 20 30 CCEDLO Cc1nc(NCC[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000488068324 390091457 /nfs/dbraw/zinc/09/14/57/390091457.db2.gz LWZUUCUFAKLKIR-NSHDSACASA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1nc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000488068324 390091458 /nfs/dbraw/zinc/09/14/58/390091458.db2.gz LWZUUCUFAKLKIR-NSHDSACASA-N 1 2 260.341 0.816 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](CCc2cscn2)CC1 ZINC000491483541 390113951 /nfs/dbraw/zinc/11/39/51/390113951.db2.gz CFPUDOMTCRKKMW-UHFFFAOYSA-N 1 2 292.408 0.053 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cnn(CC)c2)CC1 ZINC000491615082 390115227 /nfs/dbraw/zinc/11/52/27/390115227.db2.gz ASUSWGDYCYCUKX-UHFFFAOYSA-N 1 2 276.340 0.059 20 30 CCEDLO CCC1(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)CC1 ZINC000535507233 390144525 /nfs/dbraw/zinc/14/45/25/390144525.db2.gz KDKYJRASWUHDAV-UHFFFAOYSA-N 1 2 275.356 0.984 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000579264156 390159310 /nfs/dbraw/zinc/15/93/10/390159310.db2.gz YTLUEVFLWIUCEK-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000579264156 390159311 /nfs/dbraw/zinc/15/93/11/390159311.db2.gz YTLUEVFLWIUCEK-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494320376 390165670 /nfs/dbraw/zinc/16/56/70/390165670.db2.gz XRHKMEMCRMLKSR-ZDUSSCGKSA-N 1 2 293.367 0.714 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494320376 390165671 /nfs/dbraw/zinc/16/56/71/390165671.db2.gz XRHKMEMCRMLKSR-ZDUSSCGKSA-N 1 2 293.367 0.714 20 30 CCEDLO N#CCC1CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000540977802 390233358 /nfs/dbraw/zinc/23/33/58/390233358.db2.gz BCYRBLXMLBPCDJ-GFCCVEGCSA-N 1 2 299.334 0.734 20 30 CCEDLO C=CCn1cc(C(=O)NCCc2cn(C)c[nH+]2)nn1 ZINC000648415746 390370614 /nfs/dbraw/zinc/37/06/14/390370614.db2.gz LGJRIZQNKWIAMO-UHFFFAOYSA-N 1 2 260.301 0.170 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nn1 ZINC000648822125 390416719 /nfs/dbraw/zinc/41/67/19/390416719.db2.gz LFKJGHWXPOMAQS-LBPRGKRZSA-N 1 2 291.355 0.011 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000645539919 390443505 /nfs/dbraw/zinc/44/35/05/390443505.db2.gz OPBAWSYIROVKMJ-LBPRGKRZSA-N 1 2 264.329 0.036 20 30 CCEDLO N#CCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603280743 390379300 /nfs/dbraw/zinc/37/93/00/390379300.db2.gz PBUJYCNIPWJGCF-UHFFFAOYSA-N 1 2 256.331 0.496 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C#N)CCO1 ZINC000562366882 390488581 /nfs/dbraw/zinc/48/85/81/390488581.db2.gz PIZHQDMKSJZDKU-NEPJUHHUSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C#N)CCO1 ZINC000562366882 390488585 /nfs/dbraw/zinc/48/85/85/390488585.db2.gz PIZHQDMKSJZDKU-NEPJUHHUSA-N 1 2 268.361 0.556 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000649188794 390516464 /nfs/dbraw/zinc/51/64/64/390516464.db2.gz RUSPQARQLKDQMK-NSHDSACASA-N 1 2 285.307 0.166 20 30 CCEDLO CSc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000519816686 390546547 /nfs/dbraw/zinc/54/65/47/390546547.db2.gz ABSSDEWEQWGETK-LBPRGKRZSA-N 1 2 281.385 0.716 20 30 CCEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000567903376 390711594 /nfs/dbraw/zinc/71/15/94/390711594.db2.gz QQRXYIMWSVSJQG-RISCZKNCSA-N 1 2 277.372 0.874 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000570712105 390719322 /nfs/dbraw/zinc/71/93/22/390719322.db2.gz IMWGPKHDDQGDNC-MJBXVCDLSA-N 1 2 296.415 0.123 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000570712105 390719324 /nfs/dbraw/zinc/71/93/24/390719324.db2.gz IMWGPKHDDQGDNC-MJBXVCDLSA-N 1 2 296.415 0.123 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570825210 390720230 /nfs/dbraw/zinc/72/02/30/390720230.db2.gz SLHHNNDOEPEORC-VIFPVBQESA-N 1 2 250.302 0.007 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570825210 390720232 /nfs/dbraw/zinc/72/02/32/390720232.db2.gz SLHHNNDOEPEORC-VIFPVBQESA-N 1 2 250.302 0.007 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000646626500 390701421 /nfs/dbraw/zinc/70/14/21/390701421.db2.gz GVHSMHDSXMBDDT-CABCVRRESA-N 1 2 290.363 0.723 20 30 CCEDLO Cn1cc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000578237748 390872687 /nfs/dbraw/zinc/87/26/87/390872687.db2.gz FUYRZLQFNFVICG-UHFFFAOYSA-N 1 2 281.323 0.966 20 30 CCEDLO Cn1cc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000578237748 390872690 /nfs/dbraw/zinc/87/26/90/390872690.db2.gz FUYRZLQFNFVICG-UHFFFAOYSA-N 1 2 281.323 0.966 20 30 CCEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578285401 390874973 /nfs/dbraw/zinc/87/49/73/390874973.db2.gz XHKIUXGMWGJABX-VIFPVBQESA-N 1 2 271.280 0.691 20 30 CCEDLO C[N@H+]([C@@H]1CCNC1=O)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936019 390887535 /nfs/dbraw/zinc/88/75/35/390887535.db2.gz XKEACJUBDJAOSX-ZIAGYGMSSA-N 1 2 298.346 0.484 20 30 CCEDLO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936019 390887538 /nfs/dbraw/zinc/88/75/38/390887538.db2.gz XKEACJUBDJAOSX-ZIAGYGMSSA-N 1 2 298.346 0.484 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000578708116 390898770 /nfs/dbraw/zinc/89/87/70/390898770.db2.gz ADPNGIQVDJQTAR-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC2(S(=O)(=O)CC)CC2)nn1 ZINC000657758874 413059580 /nfs/dbraw/zinc/05/95/80/413059580.db2.gz NYMNYCOEFFBGGY-UHFFFAOYSA-N 1 2 298.412 0.911 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000658438574 413148778 /nfs/dbraw/zinc/14/87/78/413148778.db2.gz DNFSJYWGKBRDTR-UHFFFAOYSA-N 1 2 294.355 0.087 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)ccc1F ZINC000370321618 144297707 /nfs/dbraw/zinc/29/77/07/144297707.db2.gz AHEYPRAQNVTSCU-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)ccc1F ZINC000370321618 144297708 /nfs/dbraw/zinc/29/77/08/144297708.db2.gz AHEYPRAQNVTSCU-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329177554 286095360 /nfs/dbraw/zinc/09/53/60/286095360.db2.gz MANLITVAVQYLPF-SRVKXCTJSA-N 1 2 294.355 0.194 20 30 CCEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(C)c1C#N)C1CC1 ZINC000552943512 286176354 /nfs/dbraw/zinc/17/63/54/286176354.db2.gz HANBACKBZJFLPI-LBPRGKRZSA-N 1 2 284.323 0.906 20 30 CCEDLO CSCCNC(=S)NN=Cc1ccc[nH+]c1N ZINC000769594158 581697172 /nfs/dbraw/zinc/69/71/72/581697172.db2.gz YRMUPPLZOWULEE-UHFFFAOYSA-N 1 2 269.399 0.825 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)nn1 ZINC000653637562 412327473 /nfs/dbraw/zinc/32/74/73/412327473.db2.gz OFERJSKRMBEVRC-AAEUAGOBSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)nn1 ZINC000653637562 412327476 /nfs/dbraw/zinc/32/74/76/412327476.db2.gz OFERJSKRMBEVRC-AAEUAGOBSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)nn1 ZINC000653636963 412328002 /nfs/dbraw/zinc/32/80/02/412328002.db2.gz YFUCUYMGFCQNLZ-IACUBPJLSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)nn1 ZINC000653636963 412328006 /nfs/dbraw/zinc/32/80/06/412328006.db2.gz YFUCUYMGFCQNLZ-IACUBPJLSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CCOCCO)nn1 ZINC000653662790 412332276 /nfs/dbraw/zinc/33/22/76/412332276.db2.gz TXNNTRZFTMKEDJ-UHFFFAOYSA-N 1 2 254.334 0.295 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CCOCCO)nn1 ZINC000653662790 412332279 /nfs/dbraw/zinc/33/22/79/412332279.db2.gz TXNNTRZFTMKEDJ-UHFFFAOYSA-N 1 2 254.334 0.295 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C(C)=O)C(C)C ZINC000653756602 412342261 /nfs/dbraw/zinc/34/22/61/412342261.db2.gz DSCFDOLJEVYNHW-YPMHNXCESA-N 1 2 253.346 0.998 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(CC)C2=O)C1=O ZINC000660463729 414336449 /nfs/dbraw/zinc/33/64/49/414336449.db2.gz GPJVJYOGKFYFDB-NEPJUHHUSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(CC)C2=O)C1=O ZINC000660463729 414336453 /nfs/dbraw/zinc/33/64/53/414336453.db2.gz GPJVJYOGKFYFDB-NEPJUHHUSA-N 1 2 265.357 0.326 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000665338303 415612393 /nfs/dbraw/zinc/61/23/93/415612393.db2.gz CYDKPSADDRIWNF-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329028786 227263605 /nfs/dbraw/zinc/26/36/05/227263605.db2.gz KRHUPGSBCFHSHH-LLVKDONJSA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329028786 227263609 /nfs/dbraw/zinc/26/36/09/227263609.db2.gz KRHUPGSBCFHSHH-LLVKDONJSA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329028786 227263614 /nfs/dbraw/zinc/26/36/14/227263614.db2.gz KRHUPGSBCFHSHH-LLVKDONJSA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329028786 227263619 /nfs/dbraw/zinc/26/36/19/227263619.db2.gz KRHUPGSBCFHSHH-LLVKDONJSA-N 1 2 293.371 0.588 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329065506 227279771 /nfs/dbraw/zinc/27/97/71/227279771.db2.gz WFHPALTXGNDIIC-MWLCHTKSSA-N 1 2 251.330 0.800 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329065506 227279775 /nfs/dbraw/zinc/27/97/75/227279775.db2.gz WFHPALTXGNDIIC-MWLCHTKSSA-N 1 2 251.330 0.800 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330156057 228051591 /nfs/dbraw/zinc/05/15/91/228051591.db2.gz OLGUPPWQDBOHRF-LLVKDONJSA-N 1 2 278.360 0.357 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330156057 228051594 /nfs/dbraw/zinc/05/15/94/228051594.db2.gz OLGUPPWQDBOHRF-LLVKDONJSA-N 1 2 278.360 0.357 20 30 CCEDLO C[C@H]1C[C@@H](O)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000330204125 228065212 /nfs/dbraw/zinc/06/52/12/228065212.db2.gz CNIGIILTVOXOOS-STQMWFEESA-N 1 2 297.399 0.610 20 30 CCEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCCOCC1 ZINC000328811666 545019018 /nfs/dbraw/zinc/01/90/18/545019018.db2.gz MWGCCOBWXIYLEA-UHFFFAOYSA-N 1 2 252.318 0.828 20 30 CCEDLO C[N@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)[C@@H]1CCSC1 ZINC000328933554 545019978 /nfs/dbraw/zinc/01/99/78/545019978.db2.gz IQWFHPPODVVTLC-SSDOTTSWSA-N 1 2 271.346 0.404 20 30 CCEDLO C[N@@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)[C@@H]1CCSC1 ZINC000328933554 545019980 /nfs/dbraw/zinc/01/99/80/545019980.db2.gz IQWFHPPODVVTLC-SSDOTTSWSA-N 1 2 271.346 0.404 20 30 CCEDLO Cc1nc(CNC(=O)N(C)CC[NH+]2CCOCC2)no1 ZINC000329793346 545026858 /nfs/dbraw/zinc/02/68/58/545026858.db2.gz AZCTZMQFWLGKPP-UHFFFAOYSA-N 1 2 283.332 0.056 20 30 CCEDLO C=C(C)CS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000188164102 260074864 /nfs/dbraw/zinc/07/48/64/260074864.db2.gz FOCUHBHUTHGSLK-UHFFFAOYSA-N 1 2 262.375 0.204 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000298810999 260162403 /nfs/dbraw/zinc/16/24/03/260162403.db2.gz AGNSDRATCYZQOS-LLVKDONJSA-N 1 2 263.341 0.568 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(CC#N)cc3)C[C@H]21 ZINC000408008762 260170744 /nfs/dbraw/zinc/17/07/44/260170744.db2.gz FYSFBSDIEWDYGF-CABCVRRESA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(CC#N)cc3)C[C@H]21 ZINC000408008762 260170746 /nfs/dbraw/zinc/17/07/46/260170746.db2.gz FYSFBSDIEWDYGF-CABCVRRESA-N 1 2 285.347 0.908 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2CC2)cc1 ZINC000047538476 260196411 /nfs/dbraw/zinc/19/64/11/260196411.db2.gz NLCJXMUWYGZMFG-UHFFFAOYSA-N 1 2 263.297 0.611 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccco3)n2)C1 ZINC000081342697 260332254 /nfs/dbraw/zinc/33/22/54/260332254.db2.gz JJLVIEQCYKYYSV-SECBINFHSA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccco3)n2)C1 ZINC000081342697 260332256 /nfs/dbraw/zinc/33/22/56/260332256.db2.gz JJLVIEQCYKYYSV-SECBINFHSA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000081342697 260332257 /nfs/dbraw/zinc/33/22/57/260332257.db2.gz JJLVIEQCYKYYSV-SECBINFHSA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000081342697 260332259 /nfs/dbraw/zinc/33/22/59/260332259.db2.gz JJLVIEQCYKYYSV-SECBINFHSA-N 1 2 277.284 0.983 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000153953061 261085531 /nfs/dbraw/zinc/08/55/31/261085531.db2.gz DEHKKVFJVJFHAO-UHFFFAOYSA-N 1 2 259.309 0.950 20 30 CCEDLO Cc1cc(CO[NH+]=C(N)CN2CCOCC2)on1 ZINC000171891620 261484939 /nfs/dbraw/zinc/48/49/39/261484939.db2.gz VMAMURPVTDYRKM-UHFFFAOYSA-N 1 2 254.290 0.104 20 30 CCEDLO O=C(C#Cc1ccccc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372111810 262253917 /nfs/dbraw/zinc/25/39/17/262253917.db2.gz YHUYJLIJRSTIQH-INIZCTEOSA-N 1 2 284.359 0.971 20 30 CCEDLO C#CCOCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000162709579 262377078 /nfs/dbraw/zinc/37/70/78/262377078.db2.gz GSZBQUSIGXPABK-UHFFFAOYSA-N 1 2 284.319 0.923 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(N(C)C)nc2)C1=O ZINC000337209790 262438922 /nfs/dbraw/zinc/43/89/22/262438922.db2.gz SPJARKLVSOPGST-ZDUSSCGKSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(N(C)C)nc2)C1=O ZINC000337209790 262438923 /nfs/dbraw/zinc/43/89/23/262438923.db2.gz SPJARKLVSOPGST-ZDUSSCGKSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(=O)OC)C2CC2)C1=O ZINC000337236802 262441547 /nfs/dbraw/zinc/44/15/47/262441547.db2.gz YHZNRWCWMVSURI-NEPJUHHUSA-N 1 2 266.341 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(=O)OC)C2CC2)C1=O ZINC000337236802 262441548 /nfs/dbraw/zinc/44/15/48/262441548.db2.gz YHZNRWCWMVSURI-NEPJUHHUSA-N 1 2 266.341 0.657 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340191138 263086607 /nfs/dbraw/zinc/08/66/07/263086607.db2.gz IBOBQRHPSWARKS-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340191138 263086608 /nfs/dbraw/zinc/08/66/08/263086608.db2.gz IBOBQRHPSWARKS-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccccc1F)[C@H]1CCCO1 ZINC000284557761 263087444 /nfs/dbraw/zinc/08/74/44/263087444.db2.gz WDUNGMDINMCOCL-GFCCVEGCSA-N 1 2 295.314 0.910 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccccc1 ZINC000285713784 263095310 /nfs/dbraw/zinc/09/53/10/263095310.db2.gz PBIRCYRUBXNGIK-UHFFFAOYSA-N 1 2 259.309 0.577 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NC)Cc1ccccc1 ZINC000285713784 263095311 /nfs/dbraw/zinc/09/53/11/263095311.db2.gz PBIRCYRUBXNGIK-UHFFFAOYSA-N 1 2 259.309 0.577 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@H](C)C#N ZINC000299175072 263233769 /nfs/dbraw/zinc/23/37/69/263233769.db2.gz WDRVSKUTSTTXRH-RKDXNWHRSA-N 1 2 252.318 0.455 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@H](C)C#N ZINC000299175072 263233770 /nfs/dbraw/zinc/23/37/70/263233770.db2.gz WDRVSKUTSTTXRH-RKDXNWHRSA-N 1 2 252.318 0.455 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c[nH+]1 ZINC000330461256 263942693 /nfs/dbraw/zinc/94/26/93/263942693.db2.gz RROJBLRHYQKLAN-GFCCVEGCSA-N 1 2 294.355 0.906 20 30 CCEDLO CNC(=O)NCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330502323 263962795 /nfs/dbraw/zinc/96/27/95/263962795.db2.gz BKJXAFUKUXORBS-UHFFFAOYSA-N 1 2 265.317 0.249 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960661570 649857381 /nfs/dbraw/zinc/85/73/81/649857381.db2.gz PWOZKTDONKPFAU-ZZVYKPCYSA-N 1 2 285.351 0.015 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000330672146 264013984 /nfs/dbraw/zinc/01/39/84/264013984.db2.gz XFVZNABQIPAXHI-SNVBAGLBSA-N 1 2 289.401 0.490 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000330722250 264024743 /nfs/dbraw/zinc/02/47/43/264024743.db2.gz YDFURTQSTUITDZ-JTQLQIEISA-N 1 2 262.313 0.912 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000330722250 264024744 /nfs/dbraw/zinc/02/47/44/264024744.db2.gz YDFURTQSTUITDZ-JTQLQIEISA-N 1 2 262.313 0.912 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330773158 264034700 /nfs/dbraw/zinc/03/47/00/264034700.db2.gz WYXGXDBBEIMPTA-WDEREUQCSA-N 1 2 298.387 0.416 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330773158 264034703 /nfs/dbraw/zinc/03/47/03/264034703.db2.gz WYXGXDBBEIMPTA-WDEREUQCSA-N 1 2 298.387 0.416 20 30 CCEDLO C[C@H](O)CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330794033 264040107 /nfs/dbraw/zinc/04/01/07/264040107.db2.gz VVZHKIVUTIOCJM-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@H](O)CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330794033 264040109 /nfs/dbraw/zinc/04/01/09/264040109.db2.gz VVZHKIVUTIOCJM-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO CC(C)N1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1=O ZINC000330799813 264041564 /nfs/dbraw/zinc/04/15/64/264041564.db2.gz YVGFCDGCKNUSHX-JTQLQIEISA-N 1 2 279.344 0.433 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000330868699 264058415 /nfs/dbraw/zinc/05/84/15/264058415.db2.gz POTPCJHYFLGPNX-HBNTYKKESA-N 1 2 287.360 0.161 20 30 CCEDLO C[C@H](CCO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330886433 264063569 /nfs/dbraw/zinc/06/35/69/264063569.db2.gz MJYTZHBWTVVITP-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@H](CCO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330886433 264063571 /nfs/dbraw/zinc/06/35/71/264063571.db2.gz MJYTZHBWTVVITP-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@@H](CNC(=O)CCCC#N)[NH+]1CCN(C)CC1 ZINC000330908318 264074765 /nfs/dbraw/zinc/07/47/65/264074765.db2.gz WQYUWDDTFHXKIX-LBPRGKRZSA-N 1 2 252.362 0.432 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000330937246 264081906 /nfs/dbraw/zinc/08/19/06/264081906.db2.gz AMSJWBPORVPQDL-GFCCVEGCSA-N 1 2 290.367 0.857 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000330937246 264081908 /nfs/dbraw/zinc/08/19/08/264081908.db2.gz AMSJWBPORVPQDL-GFCCVEGCSA-N 1 2 290.367 0.857 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cnn1 ZINC000330950464 264085430 /nfs/dbraw/zinc/08/54/30/264085430.db2.gz OTLCXUQKQVGBII-LLVKDONJSA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cnn1 ZINC000330950464 264085433 /nfs/dbraw/zinc/08/54/33/264085433.db2.gz OTLCXUQKQVGBII-LLVKDONJSA-N 1 2 264.329 0.810 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000330961226 264089068 /nfs/dbraw/zinc/08/90/68/264089068.db2.gz BQSKWEFPYCUJIY-KOLCDFICSA-N 1 2 293.289 0.746 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000330961226 264089069 /nfs/dbraw/zinc/08/90/69/264089069.db2.gz BQSKWEFPYCUJIY-KOLCDFICSA-N 1 2 293.289 0.746 20 30 CCEDLO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(C)o1 ZINC000331178003 264153806 /nfs/dbraw/zinc/15/38/06/264153806.db2.gz GAOBCJFXIHKQPM-LLVKDONJSA-N 1 2 283.328 0.289 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000331284627 264172556 /nfs/dbraw/zinc/17/25/56/264172556.db2.gz HIZBXDIXTVGQKM-JTQLQIEISA-N 1 2 299.371 0.843 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000331284627 264172558 /nfs/dbraw/zinc/17/25/58/264172558.db2.gz HIZBXDIXTVGQKM-JTQLQIEISA-N 1 2 299.371 0.843 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331248287 264180404 /nfs/dbraw/zinc/18/04/04/264180404.db2.gz WUFXZAXZIBRBGH-LLVKDONJSA-N 1 2 295.339 0.093 20 30 CCEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000331298953 264198431 /nfs/dbraw/zinc/19/84/31/264198431.db2.gz DIXDKMHEAVREGY-UHFFFAOYSA-N 1 2 291.417 0.049 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000334022297 264233491 /nfs/dbraw/zinc/23/34/91/264233491.db2.gz NYOFQJLJNPOSCJ-NEPJUHHUSA-N 1 2 283.372 0.744 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000334022297 264233492 /nfs/dbraw/zinc/23/34/92/264233492.db2.gz NYOFQJLJNPOSCJ-NEPJUHHUSA-N 1 2 283.372 0.744 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000160228577 264236882 /nfs/dbraw/zinc/23/68/82/264236882.db2.gz YOMVHYYYNMHVBH-CYBMUJFWSA-N 1 2 280.368 0.743 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000160228577 264236884 /nfs/dbraw/zinc/23/68/84/264236884.db2.gz YOMVHYYYNMHVBH-CYBMUJFWSA-N 1 2 280.368 0.743 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@](C)(C(N)=O)c2ccccc2)C1=O ZINC000282017657 264492607 /nfs/dbraw/zinc/49/26/07/264492607.db2.gz OXDPFWAVHAZRJW-CJNGLKHVSA-N 1 2 287.363 0.764 20 30 CCEDLO C#CCN(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000282639192 264506372 /nfs/dbraw/zinc/50/63/72/264506372.db2.gz KWKRABUANFUPEA-UHFFFAOYSA-N 1 2 291.355 0.312 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000357602547 266333414 /nfs/dbraw/zinc/33/34/14/266333414.db2.gz MTIJMFNXVWOYMI-SNVBAGLBSA-N 1 2 266.370 0.989 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000357602547 266333418 /nfs/dbraw/zinc/33/34/18/266333418.db2.gz MTIJMFNXVWOYMI-SNVBAGLBSA-N 1 2 266.370 0.989 20 30 CCEDLO C=CCOCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000357760105 266356957 /nfs/dbraw/zinc/35/69/57/266356957.db2.gz IRPBJAVLEOEAFC-UHFFFAOYSA-N 1 2 278.356 0.267 20 30 CCEDLO CCOC(=O)C1([N@H+](C)CC(=O)NCC#N)CCCCC1 ZINC000357958925 266389405 /nfs/dbraw/zinc/38/94/05/266389405.db2.gz KHEBFYHLUWNZPV-UHFFFAOYSA-N 1 2 281.356 0.824 20 30 CCEDLO CCOC(=O)C1([N@@H+](C)CC(=O)NCC#N)CCCCC1 ZINC000357958925 266389406 /nfs/dbraw/zinc/38/94/06/266389406.db2.gz KHEBFYHLUWNZPV-UHFFFAOYSA-N 1 2 281.356 0.824 20 30 CCEDLO C=C(CC)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000358498854 266470645 /nfs/dbraw/zinc/47/06/45/266470645.db2.gz ZMHNOPUTFZDJRV-UHFFFAOYSA-N 1 2 279.384 0.719 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC(=O)N1 ZINC000296231536 267050901 /nfs/dbraw/zinc/05/09/01/267050901.db2.gz OJMHGXSNPFTIMO-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC(=O)N1 ZINC000296231536 267050905 /nfs/dbraw/zinc/05/09/05/267050905.db2.gz OJMHGXSNPFTIMO-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000363029508 267074143 /nfs/dbraw/zinc/07/41/43/267074143.db2.gz LVTNOECEQXVOQR-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000363029508 267074146 /nfs/dbraw/zinc/07/41/46/267074146.db2.gz LVTNOECEQXVOQR-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367732035 267113658 /nfs/dbraw/zinc/11/36/58/267113658.db2.gz UWDLNVYAJQYVEB-LBPRGKRZSA-N 1 2 290.342 0.481 20 30 CCEDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c(C#N)cn1 ZINC000399507948 267300450 /nfs/dbraw/zinc/30/04/50/267300450.db2.gz LYDOJTFCDDLRJS-ZDUSSCGKSA-N 1 2 257.341 0.095 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000370400106 267316596 /nfs/dbraw/zinc/31/65/96/267316596.db2.gz WYRZQQXDBRIBHQ-LBPRGKRZSA-N 1 2 268.357 0.295 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000152103024 277130916 /nfs/dbraw/zinc/13/09/16/277130916.db2.gz LJUWVTGFHGVFFT-KBPBESRZSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000152103024 277130917 /nfs/dbraw/zinc/13/09/17/277130917.db2.gz LJUWVTGFHGVFFT-KBPBESRZSA-N 1 2 271.320 0.713 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000336087586 279336117 /nfs/dbraw/zinc/33/61/17/279336117.db2.gz LNLDEJZAWONNPF-GFCCVEGCSA-N 1 2 258.325 0.703 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000336087586 279336120 /nfs/dbraw/zinc/33/61/20/279336120.db2.gz LNLDEJZAWONNPF-GFCCVEGCSA-N 1 2 258.325 0.703 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)C1(C#N)CCOCC1 ZINC000062255350 327948913 /nfs/dbraw/zinc/94/89/13/327948913.db2.gz DQGIBNPNHMHBPY-UHFFFAOYSA-N 1 2 262.313 0.699 20 30 CCEDLO COCc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000571258482 328095566 /nfs/dbraw/zinc/09/55/66/328095566.db2.gz AOEACOZTTAPLTQ-LBPRGKRZSA-N 1 2 282.369 0.863 20 30 CCEDLO COCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000571258481 328095600 /nfs/dbraw/zinc/09/56/00/328095600.db2.gz AOEACOZTTAPLTQ-GFCCVEGCSA-N 1 2 282.369 0.863 20 30 CCEDLO C=CCCOCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413403857 328145581 /nfs/dbraw/zinc/14/55/81/328145581.db2.gz NXOQZUCLAOZIMG-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425293974 328398438 /nfs/dbraw/zinc/39/84/38/328398438.db2.gz LXCYYMSVIOBWEQ-GFCCVEGCSA-N 1 2 270.373 0.398 20 30 CCEDLO CC#CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000134933735 328518019 /nfs/dbraw/zinc/51/80/19/328518019.db2.gz WWWOKERLHPNKJX-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1COC1 ZINC000564631960 327088966 /nfs/dbraw/zinc/08/89/66/327088966.db2.gz KOICYSCJROHJJI-AWEZNQCLSA-N 1 2 265.357 0.904 20 30 CCEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1COC1 ZINC000564631960 327088967 /nfs/dbraw/zinc/08/89/67/327088967.db2.gz KOICYSCJROHJJI-AWEZNQCLSA-N 1 2 265.357 0.904 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000566176184 327156506 /nfs/dbraw/zinc/15/65/06/327156506.db2.gz HBDAYYZNLUBCNW-CQSZACIVSA-N 1 2 297.424 0.956 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000566176184 327156508 /nfs/dbraw/zinc/15/65/08/327156508.db2.gz HBDAYYZNLUBCNW-CQSZACIVSA-N 1 2 297.424 0.956 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000408205249 327242619 /nfs/dbraw/zinc/24/26/19/327242619.db2.gz PVWBIWFPKJNQOC-ZDUSSCGKSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000408205249 327242621 /nfs/dbraw/zinc/24/26/21/327242621.db2.gz PVWBIWFPKJNQOC-ZDUSSCGKSA-N 1 2 265.357 0.907 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000375640649 329004785 /nfs/dbraw/zinc/00/47/85/329004785.db2.gz KKCUSSHXRSRYTQ-HNNXBMFYSA-N 1 2 294.399 0.597 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000375640649 329004787 /nfs/dbraw/zinc/00/47/87/329004787.db2.gz KKCUSSHXRSRYTQ-HNNXBMFYSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000583697181 329068679 /nfs/dbraw/zinc/06/86/79/329068679.db2.gz VORDODYQFIEXIJ-ZWNOBZJWSA-N 1 2 263.345 0.484 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000582670267 329122790 /nfs/dbraw/zinc/12/27/90/329122790.db2.gz SWYVEDIWRFCLRA-GXFFZTMASA-N 1 2 253.346 0.904 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000181425728 329236617 /nfs/dbraw/zinc/23/66/17/329236617.db2.gz ZGQCHGCNRDRFDW-CYBMUJFWSA-N 1 2 268.405 0.840 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210014 329268912 /nfs/dbraw/zinc/26/89/12/329268912.db2.gz ZCZVNOOCOKNUDB-LSDHHAIUSA-N 1 2 295.383 0.532 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210014 329268914 /nfs/dbraw/zinc/26/89/14/329268914.db2.gz ZCZVNOOCOKNUDB-LSDHHAIUSA-N 1 2 295.383 0.532 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000187570977 329359280 /nfs/dbraw/zinc/35/92/80/329359280.db2.gz AWBCABKCSIDCPA-UKRRQHHQSA-N 1 2 289.331 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000187570977 329359281 /nfs/dbraw/zinc/35/92/81/329359281.db2.gz AWBCABKCSIDCPA-UKRRQHHQSA-N 1 2 289.331 0.807 20 30 CCEDLO C#C[C@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000187723228 329362665 /nfs/dbraw/zinc/36/26/65/329362665.db2.gz LBBLTQFELOUJRC-GXTWGEPZSA-N 1 2 297.424 0.515 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189845003 329388999 /nfs/dbraw/zinc/38/89/99/329388999.db2.gz FEYCLEDRTHDXGL-NSHDSACASA-N 1 2 253.346 0.135 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189845003 329389001 /nfs/dbraw/zinc/38/90/01/329389001.db2.gz FEYCLEDRTHDXGL-NSHDSACASA-N 1 2 253.346 0.135 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000584413993 329462148 /nfs/dbraw/zinc/46/21/48/329462148.db2.gz FKPXZSXFLORWIM-CQSZACIVSA-N 1 2 299.338 0.236 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262070017 329999315 /nfs/dbraw/zinc/99/93/15/329999315.db2.gz RYQFEIXLGIVUSX-LLVKDONJSA-N 1 2 284.385 0.272 20 30 CCEDLO C#CCNC(=O)[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000279105623 330121682 /nfs/dbraw/zinc/12/16/82/330121682.db2.gz QIGNMEYGIKCRDG-QMMMGPOBSA-N 1 2 264.354 0.851 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154695 330380977 /nfs/dbraw/zinc/38/09/77/330380977.db2.gz JMKPKZKQPRNBHY-AVGNSLFASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154695 330380978 /nfs/dbraw/zinc/38/09/78/330380978.db2.gz JMKPKZKQPRNBHY-AVGNSLFASA-N 1 2 266.341 0.004 20 30 CCEDLO C=CCC1(C(=O)N2CC[NH+](CCO)CC2)CCOCC1 ZINC000424575835 330385261 /nfs/dbraw/zinc/38/52/61/330385261.db2.gz LWXFWDYERHTZOR-UHFFFAOYSA-N 1 2 282.384 0.496 20 30 CCEDLO CCCN1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000514792394 330465465 /nfs/dbraw/zinc/46/54/65/330465465.db2.gz JUHNKCQHSYHFEY-FZMZJTMJSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451202642 331020492 /nfs/dbraw/zinc/02/04/92/331020492.db2.gz XRQPMVONHOCQNL-ZIAGYGMSSA-N 1 2 296.390 0.723 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451202642 331020493 /nfs/dbraw/zinc/02/04/93/331020493.db2.gz XRQPMVONHOCQNL-ZIAGYGMSSA-N 1 2 296.390 0.723 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000451634912 331037563 /nfs/dbraw/zinc/03/75/63/331037563.db2.gz SHCVDXAUPVEUFF-MGPQQGTHSA-N 1 2 284.400 0.929 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000451634912 331037564 /nfs/dbraw/zinc/03/75/64/331037564.db2.gz SHCVDXAUPVEUFF-MGPQQGTHSA-N 1 2 284.400 0.929 20 30 CCEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)NCC#N)C2 ZINC000459532449 331286318 /nfs/dbraw/zinc/28/63/18/331286318.db2.gz FCGBJXSEZIJDQK-UHFFFAOYSA-N 1 2 287.319 0.471 20 30 CCEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)NCC#N)C2 ZINC000459532449 331286319 /nfs/dbraw/zinc/28/63/19/331286319.db2.gz FCGBJXSEZIJDQK-UHFFFAOYSA-N 1 2 287.319 0.471 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000459911560 331303309 /nfs/dbraw/zinc/30/33/09/331303309.db2.gz VCYYPOBYJGGHTE-UHFFFAOYSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000459911560 331303310 /nfs/dbraw/zinc/30/33/10/331303310.db2.gz VCYYPOBYJGGHTE-UHFFFAOYSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000489206646 332043122 /nfs/dbraw/zinc/04/31/22/332043122.db2.gz NSHSTUDVWUGTQN-STQMWFEESA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000489800792 332068478 /nfs/dbraw/zinc/06/84/78/332068478.db2.gz XWTYABVAXUDJHV-ZDUSSCGKSA-N 1 2 290.429 0.935 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490713579 332106633 /nfs/dbraw/zinc/10/66/33/332106633.db2.gz KWRVDEPECWVQAQ-ZJUUUORDSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490713579 332106635 /nfs/dbraw/zinc/10/66/35/332106635.db2.gz KWRVDEPECWVQAQ-ZJUUUORDSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[N@@H+](CCC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490717533 332108190 /nfs/dbraw/zinc/10/81/90/332108190.db2.gz DHAFYXYEOSPGEG-LLVKDONJSA-N 1 2 257.355 0.024 20 30 CCEDLO C#CC[N@H+](CCC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490717533 332108191 /nfs/dbraw/zinc/10/81/91/332108191.db2.gz DHAFYXYEOSPGEG-LLVKDONJSA-N 1 2 257.355 0.024 20 30 CCEDLO C#CC[N@@H+](CCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000490838791 332119061 /nfs/dbraw/zinc/11/90/61/332119061.db2.gz DMKAHTAOHCYMEK-NSHDSACASA-N 1 2 273.354 0.062 20 30 CCEDLO C#CC[N@H+](CCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000490838791 332119062 /nfs/dbraw/zinc/11/90/62/332119062.db2.gz DMKAHTAOHCYMEK-NSHDSACASA-N 1 2 273.354 0.062 20 30 CCEDLO C#CC[N@@H+](CCC1OCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490853844 332120837 /nfs/dbraw/zinc/12/08/37/332120837.db2.gz VDSUOZCEYHSYFS-GFCCVEGCSA-N 1 2 287.381 0.262 20 30 CCEDLO C#CC[N@H+](CCC1OCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490853844 332120839 /nfs/dbraw/zinc/12/08/39/332120839.db2.gz VDSUOZCEYHSYFS-GFCCVEGCSA-N 1 2 287.381 0.262 20 30 CCEDLO C#C[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)C(C)C ZINC000490995375 332137040 /nfs/dbraw/zinc/13/70/40/332137040.db2.gz JGEKRWJHLVVPJC-GFCCVEGCSA-N 1 2 267.373 0.217 20 30 CCEDLO C#C[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)C(C)C ZINC000490995375 332137041 /nfs/dbraw/zinc/13/70/41/332137041.db2.gz JGEKRWJHLVVPJC-GFCCVEGCSA-N 1 2 267.373 0.217 20 30 CCEDLO C#CC[N@@H+](CCc1ccnn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000491043362 332142204 /nfs/dbraw/zinc/14/22/04/332142204.db2.gz AQKLGRNOHJNGKO-CQSZACIVSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@H+](CCc1ccnn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000491043362 332142206 /nfs/dbraw/zinc/14/22/06/332142206.db2.gz AQKLGRNOHJNGKO-CQSZACIVSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000491070730 332146128 /nfs/dbraw/zinc/14/61/28/332146128.db2.gz DWCPKTDWVKOSSU-UHFFFAOYSA-N 1 2 256.309 0.744 20 30 CCEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000491070730 332146129 /nfs/dbraw/zinc/14/61/29/332146129.db2.gz DWCPKTDWVKOSSU-UHFFFAOYSA-N 1 2 256.309 0.744 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(C)(C)C ZINC000491339131 332192955 /nfs/dbraw/zinc/19/29/55/332192955.db2.gz NUYGKHXBCJDWOD-QWHCGFSZSA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(C)(C)C ZINC000491339131 332192956 /nfs/dbraw/zinc/19/29/56/332192956.db2.gz NUYGKHXBCJDWOD-QWHCGFSZSA-N 1 2 280.416 0.579 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@](C)(O)C(C)=O)n1 ZINC000491546099 332235311 /nfs/dbraw/zinc/23/53/11/332235311.db2.gz UMZFSJSRVXJBDV-HNNXBMFYSA-N 1 2 293.367 0.305 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@](C)(O)C(C)=O)n1 ZINC000491546099 332235313 /nfs/dbraw/zinc/23/53/13/332235313.db2.gz UMZFSJSRVXJBDV-HNNXBMFYSA-N 1 2 293.367 0.305 20 30 CCEDLO C#C[C@@H](C)N(C)C(=S)NCC[NH+]1CCOCC1 ZINC000491569010 332240124 /nfs/dbraw/zinc/24/01/24/332240124.db2.gz TXNVOECIAMHRNB-LLVKDONJSA-N 1 2 255.387 0.147 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000491644169 332262593 /nfs/dbraw/zinc/26/25/93/332262593.db2.gz IYIQOGARHSZVJY-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000491644169 332262594 /nfs/dbraw/zinc/26/25/94/332262594.db2.gz IYIQOGARHSZVJY-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000491695883 332291235 /nfs/dbraw/zinc/29/12/35/332291235.db2.gz OSMQQLGDMPRDGZ-GFCCVEGCSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000491695883 332291237 /nfs/dbraw/zinc/29/12/37/332291237.db2.gz OSMQQLGDMPRDGZ-GFCCVEGCSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491715311 332305536 /nfs/dbraw/zinc/30/55/36/332305536.db2.gz PHBCYYMRNGRJCJ-QJPTWQEYSA-N 1 2 274.324 0.933 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000491727953 332310786 /nfs/dbraw/zinc/31/07/86/332310786.db2.gz CPVNVPCSPKNXBH-CYBMUJFWSA-N 1 2 296.334 0.761 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000491727953 332310788 /nfs/dbraw/zinc/31/07/88/332310788.db2.gz CPVNVPCSPKNXBH-CYBMUJFWSA-N 1 2 296.334 0.761 20 30 CCEDLO C#CC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491801736 332356029 /nfs/dbraw/zinc/35/60/29/332356029.db2.gz DOZUYJLXFQVVQH-VXGBXAGGSA-N 1 2 270.354 0.037 20 30 CCEDLO C#CC[N@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491801736 332356032 /nfs/dbraw/zinc/35/60/32/332356032.db2.gz DOZUYJLXFQVVQH-VXGBXAGGSA-N 1 2 270.354 0.037 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491807812 332360783 /nfs/dbraw/zinc/36/07/83/332360783.db2.gz TTXSTTJUVMNWCN-QWHCGFSZSA-N 1 2 288.351 0.915 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491820522 332370166 /nfs/dbraw/zinc/37/01/66/332370166.db2.gz RVWVPSHQVDEBRR-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOC[C@@H]1C#N ZINC000492489858 332399866 /nfs/dbraw/zinc/39/98/66/332399866.db2.gz HBLDKAWEIYBHHK-BYCRGOAPSA-N 1 2 260.297 0.667 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/[C@H]1CCOC1 ZINC000493725200 332451428 /nfs/dbraw/zinc/45/14/28/332451428.db2.gz POJTVHNSKKBMPR-JQBPPHQNSA-N 1 2 251.330 0.539 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000494817109 332486542 /nfs/dbraw/zinc/48/65/42/332486542.db2.gz YAUVPPBKDDUJIV-COPLHBTASA-N 1 2 292.387 0.909 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000516930367 333086588 /nfs/dbraw/zinc/08/65/88/333086588.db2.gz MLNOSURAFWOOSB-ZOWXZIJZSA-N 1 2 295.383 0.926 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517067464 333091891 /nfs/dbraw/zinc/09/18/91/333091891.db2.gz OBXDSFZLIVFLNV-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517067464 333091893 /nfs/dbraw/zinc/09/18/93/333091893.db2.gz OBXDSFZLIVFLNV-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000184441839 333128626 /nfs/dbraw/zinc/12/86/26/333128626.db2.gz QHILCSNIKYCUCW-UONOGXRCSA-N 1 2 284.400 0.740 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000066566736 333625622 /nfs/dbraw/zinc/62/56/22/333625622.db2.gz JCPDWOUCPCUQMW-GJZGRUSLSA-N 1 2 277.412 0.932 20 30 CCEDLO C[C@@H](NC(=O)C1(C#N)CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000134853891 334105723 /nfs/dbraw/zinc/10/57/23/334105723.db2.gz YKLPMGGZHBAQSF-VXGBXAGGSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)N[C@@]1(C#N)CCOC1)[NH+]1CCSCC1 ZINC000547811379 334120847 /nfs/dbraw/zinc/12/08/47/334120847.db2.gz JZDYJKNHBPCGNL-ZYHUDNBSSA-N 1 2 269.370 0.223 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249538711 334336122 /nfs/dbraw/zinc/33/61/22/334336122.db2.gz DFQKXKVYCXIEPH-LSDHHAIUSA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249538711 334336124 /nfs/dbraw/zinc/33/61/24/334336124.db2.gz DFQKXKVYCXIEPH-LSDHHAIUSA-N 1 2 295.427 0.574 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000577219096 335324765 /nfs/dbraw/zinc/32/47/65/335324765.db2.gz SWVQGWSFWCNPLC-UHFFFAOYSA-N 1 2 280.372 0.397 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000577219096 335324766 /nfs/dbraw/zinc/32/47/66/335324766.db2.gz SWVQGWSFWCNPLC-UHFFFAOYSA-N 1 2 280.372 0.397 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000181702471 335779209 /nfs/dbraw/zinc/77/92/09/335779209.db2.gz XINNZJNQMQIIIZ-UHFFFAOYSA-N 1 2 284.319 0.904 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)nn1 ZINC000581603221 336110308 /nfs/dbraw/zinc/11/03/08/336110308.db2.gz OVFGGXLHVJEPDY-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)nn1 ZINC000581603221 336110310 /nfs/dbraw/zinc/11/03/10/336110310.db2.gz OVFGGXLHVJEPDY-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000569815366 517906992 /nfs/dbraw/zinc/90/69/92/517906992.db2.gz TUNHCNRZAZXTFG-OUCADQQQSA-N 1 2 275.356 0.484 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000155828410 522241677 /nfs/dbraw/zinc/24/16/77/522241677.db2.gz VMCHYWVJXZNVRQ-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000155828410 522241685 /nfs/dbraw/zinc/24/16/85/522241685.db2.gz VMCHYWVJXZNVRQ-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C=CCOCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000665710751 545104470 /nfs/dbraw/zinc/10/44/70/545104470.db2.gz KGARPJLQVFAGBN-JTQLQIEISA-N 1 2 252.318 0.884 20 30 CCEDLO C=CCOCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000665710751 545104471 /nfs/dbraw/zinc/10/44/71/545104471.db2.gz KGARPJLQVFAGBN-JTQLQIEISA-N 1 2 252.318 0.884 20 30 CCEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329005446 526404131 /nfs/dbraw/zinc/40/41/31/526404131.db2.gz YREWHGRKJNFUPR-UTUOFQBUSA-N 1 2 298.387 0.576 20 30 CCEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329005446 526404140 /nfs/dbraw/zinc/40/41/40/526404140.db2.gz YREWHGRKJNFUPR-UTUOFQBUSA-N 1 2 298.387 0.576 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C)cnn2C)CC1 ZINC000347662334 526539432 /nfs/dbraw/zinc/53/94/32/526539432.db2.gz AEGCWYTWRDRZDU-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)cnn2C)CC1 ZINC000347662334 526539439 /nfs/dbraw/zinc/53/94/39/526539439.db2.gz AEGCWYTWRDRZDU-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331522784 526611032 /nfs/dbraw/zinc/61/10/32/526611032.db2.gz SQPKZPKNCJPCKY-MDZLAQPJSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331522784 526611038 /nfs/dbraw/zinc/61/10/38/526611038.db2.gz SQPKZPKNCJPCKY-MDZLAQPJSA-N 1 2 295.383 0.886 20 30 CCEDLO C=C[C@@H](O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000666420650 545121955 /nfs/dbraw/zinc/12/19/55/545121955.db2.gz IICNUJOHXPSBTC-GFCCVEGCSA-N 1 2 261.325 0.714 20 30 CCEDLO CC(C)(CNC(=O)CN(CC#N)C1CC1)[NH+]1CCOCC1 ZINC000355961944 527106513 /nfs/dbraw/zinc/10/65/13/527106513.db2.gz HWJGHRLLUQAEDZ-UHFFFAOYSA-N 1 2 294.399 0.201 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667247938 545141801 /nfs/dbraw/zinc/14/18/01/545141801.db2.gz NEPIUGXMZZGILC-QWRGUYRKSA-N 1 2 264.329 0.555 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191772516 527613948 /nfs/dbraw/zinc/61/39/48/527613948.db2.gz FVPJHUZEFMCQEE-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191772516 527613954 /nfs/dbraw/zinc/61/39/54/527613954.db2.gz FVPJHUZEFMCQEE-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191772531 527614158 /nfs/dbraw/zinc/61/41/58/527614158.db2.gz FVPJHUZEFMCQEE-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191772531 527614166 /nfs/dbraw/zinc/61/41/66/527614166.db2.gz FVPJHUZEFMCQEE-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355071856 528689419 /nfs/dbraw/zinc/68/94/19/528689419.db2.gz REKKQUBFBPVAFK-GFCCVEGCSA-N 1 2 297.403 0.198 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355071856 528689422 /nfs/dbraw/zinc/68/94/22/528689422.db2.gz REKKQUBFBPVAFK-GFCCVEGCSA-N 1 2 297.403 0.198 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000678890435 545399707 /nfs/dbraw/zinc/39/97/07/545399707.db2.gz GGFORTPOOODZDV-ZDUSSCGKSA-N 1 2 279.388 0.558 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000681453375 545452940 /nfs/dbraw/zinc/45/29/40/545452940.db2.gz QZWBSGVHZJBUOQ-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000125735243 581122112 /nfs/dbraw/zinc/12/21/12/581122112.db2.gz CVXPBKYLCPBKMF-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000125735243 581122113 /nfs/dbraw/zinc/12/21/13/581122113.db2.gz CVXPBKYLCPBKMF-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO C#CCSCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000789038039 581132247 /nfs/dbraw/zinc/13/22/47/581132247.db2.gz MZSLTNRJHHXVIQ-ZDUSSCGKSA-N 1 2 299.440 0.715 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000777976143 581140092 /nfs/dbraw/zinc/14/00/92/581140092.db2.gz OAXFLQLWUQFFTE-UHFFFAOYSA-N 1 2 287.429 0.460 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)nc1 ZINC000790136836 581178074 /nfs/dbraw/zinc/17/80/74/581178074.db2.gz RZXFBOWONTWOJQ-CYBMUJFWSA-N 1 2 287.363 0.856 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1=O ZINC000790453109 581187812 /nfs/dbraw/zinc/18/78/12/581187812.db2.gz ISZGIFZVDNKYRF-ZDUSSCGKSA-N 1 2 286.335 0.374 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1=O ZINC000790453109 581187814 /nfs/dbraw/zinc/18/78/14/581187814.db2.gz ISZGIFZVDNKYRF-ZDUSSCGKSA-N 1 2 286.335 0.374 20 30 CCEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1cc[nH+]cc1 ZINC000779809739 581207580 /nfs/dbraw/zinc/20/75/80/581207580.db2.gz TYCGGQVSANUHFM-UHFFFAOYSA-N 1 2 259.269 0.849 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 ZINC000780691417 581239948 /nfs/dbraw/zinc/23/99/48/581239948.db2.gz ZFYBWGADNNBCGY-UHFFFAOYSA-N 1 2 298.350 0.201 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnnn1C1CC1 ZINC000792471615 581262656 /nfs/dbraw/zinc/26/26/56/581262656.db2.gz ZLRPKCFELUYHNM-SECBINFHSA-N 1 2 289.343 0.221 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000728083661 581347566 /nfs/dbraw/zinc/34/75/66/581347566.db2.gz MTWQUUMDLOJNFW-UHFFFAOYSA-N 1 2 272.352 0.991 20 30 CCEDLO Cn1c[nH+]c(CN=Nc2ncnc3c2cnn3C)c1 ZINC000794494521 581372609 /nfs/dbraw/zinc/37/26/09/581372609.db2.gz UTBPFZNGBFCUPX-UHFFFAOYSA-N 1 2 256.273 0.543 20 30 CCEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCC#N)C1 ZINC000796296951 581436401 /nfs/dbraw/zinc/43/64/01/581436401.db2.gz VNMDNXOBJABUIM-JTQLQIEISA-N 1 2 293.245 0.054 20 30 CCEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCC#N)C1 ZINC000796296951 581436402 /nfs/dbraw/zinc/43/64/02/581436402.db2.gz VNMDNXOBJABUIM-JTQLQIEISA-N 1 2 293.245 0.054 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787257354 581463010 /nfs/dbraw/zinc/46/30/10/581463010.db2.gz PXKGUBKPAISMIG-NSHDSACASA-N 1 2 297.380 0.163 20 30 CCEDLO C=CCCC(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000788107746 581523993 /nfs/dbraw/zinc/52/39/93/581523993.db2.gz NRLYMOYMOKBNNH-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CC/N=C/c1ccc(O)c(O)c1O ZINC000729149999 581553698 /nfs/dbraw/zinc/55/36/98/581553698.db2.gz PMEGDHUUSQQMGD-XBLUXWHVSA-N 1 2 280.324 0.943 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CC/N=C/c1ccc(O)c(O)c1O ZINC000729149999 581553700 /nfs/dbraw/zinc/55/37/00/581553700.db2.gz PMEGDHUUSQQMGD-XBLUXWHVSA-N 1 2 280.324 0.943 20 30 CCEDLO CO[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766635632 581574181 /nfs/dbraw/zinc/57/41/81/581574181.db2.gz AKWUVSCMACZWOI-GFCCVEGCSA-N 1 2 273.336 0.887 20 30 CCEDLO CO[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766635632 581574184 /nfs/dbraw/zinc/57/41/84/581574184.db2.gz AKWUVSCMACZWOI-GFCCVEGCSA-N 1 2 273.336 0.887 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000592116246 581673576 /nfs/dbraw/zinc/67/35/76/581673576.db2.gz GNZCWEDPOQTEAB-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000592116246 581673578 /nfs/dbraw/zinc/67/35/78/581673578.db2.gz GNZCWEDPOQTEAB-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)NC(C)C ZINC000730273094 581688446 /nfs/dbraw/zinc/68/84/46/581688446.db2.gz VWMMQNUNJFPURZ-LBPRGKRZSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)NC(C)C ZINC000730273094 581688449 /nfs/dbraw/zinc/68/84/49/581688449.db2.gz VWMMQNUNJFPURZ-LBPRGKRZSA-N 1 2 265.357 0.067 20 30 CCEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000757286832 581699938 /nfs/dbraw/zinc/69/99/38/581699938.db2.gz PKBGCXVHEVOVIC-SNVBAGLBSA-N 1 2 285.307 0.897 20 30 CCEDLO C#C[C@@H](C)N(C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)C#C ZINC000769961600 581718020 /nfs/dbraw/zinc/71/80/20/581718020.db2.gz RUUMBDHATLCBTA-OKILXGFUSA-N 1 2 284.425 0.308 20 30 CCEDLO C#C[C@@H](C)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)C#C ZINC000769961600 581718023 /nfs/dbraw/zinc/71/80/23/581718023.db2.gz RUUMBDHATLCBTA-OKILXGFUSA-N 1 2 284.425 0.308 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CCS(=O)(=O)CCN(C)[C@@H](C)C#C ZINC000769961600 581718027 /nfs/dbraw/zinc/71/80/27/581718027.db2.gz RUUMBDHATLCBTA-OKILXGFUSA-N 1 2 284.425 0.308 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CCS(=O)(=O)CCN(C)[C@@H](C)C#C ZINC000769961600 581718030 /nfs/dbraw/zinc/71/80/30/581718030.db2.gz RUUMBDHATLCBTA-OKILXGFUSA-N 1 2 284.425 0.308 20 30 CCEDLO C#CCNC(=S)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000758228987 581729851 /nfs/dbraw/zinc/72/98/51/581729851.db2.gz IVJXMJYJKAQFNU-UHFFFAOYSA-N 1 2 277.397 0.045 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000770417932 581742486 /nfs/dbraw/zinc/74/24/86/581742486.db2.gz QEEIHFRRTQDPJO-JTQLQIEISA-N 1 2 256.265 0.699 20 30 CCEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@H]1CCCO1 ZINC000772258819 581849471 /nfs/dbraw/zinc/84/94/71/581849471.db2.gz SQMVRWHDKAQVBK-GHMZBOCLSA-N 1 2 261.329 0.839 20 30 CCEDLO C#C[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@H]1CCCO1 ZINC000772258819 581849475 /nfs/dbraw/zinc/84/94/75/581849475.db2.gz SQMVRWHDKAQVBK-GHMZBOCLSA-N 1 2 261.329 0.839 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732812256 581850204 /nfs/dbraw/zinc/85/02/04/581850204.db2.gz MNYJGKSVRDRWGM-LBPRGKRZSA-N 1 2 278.356 0.103 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732812256 581850207 /nfs/dbraw/zinc/85/02/07/581850207.db2.gz MNYJGKSVRDRWGM-LBPRGKRZSA-N 1 2 278.356 0.103 20 30 CCEDLO O=C(C#Cc1ccccc1)OCC[NH+]1CCOCC1 ZINC000773457308 581928961 /nfs/dbraw/zinc/92/89/61/581928961.db2.gz FMJQJYMAQRFNON-UHFFFAOYSA-N 1 2 259.305 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894284 581945736 /nfs/dbraw/zinc/94/57/36/581945736.db2.gz ILRIGCIWEKDWFF-SNVBAGLBSA-N 1 2 269.345 0.089 20 30 CCEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000774026639 581953650 /nfs/dbraw/zinc/95/36/50/581953650.db2.gz LHVCVMLCHCBZMB-STQMWFEESA-N 1 2 276.340 0.753 20 30 CCEDLO CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(C#N)cc1 ZINC000747862840 581955493 /nfs/dbraw/zinc/95/54/93/581955493.db2.gz GABYFHITRZGOIC-JTQLQIEISA-N 1 2 290.323 0.708 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000763242203 581992014 /nfs/dbraw/zinc/99/20/14/581992014.db2.gz STFXDQWSPPSKRD-OAHLLOKOSA-N 1 2 285.347 0.898 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000763242203 581992018 /nfs/dbraw/zinc/99/20/18/581992018.db2.gz STFXDQWSPPSKRD-OAHLLOKOSA-N 1 2 285.347 0.898 20 30 CCEDLO C=C(Cl)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000749345520 582003479 /nfs/dbraw/zinc/00/34/79/582003479.db2.gz AZFZVYMMODFFNI-OAHLLOKOSA-N 1 2 250.795 0.735 20 30 CCEDLO COCCCNC(=S)NN=Cc1ccc[nH+]c1N ZINC000764665268 582062117 /nfs/dbraw/zinc/06/21/17/582062117.db2.gz ABUADCNBKSQPJQ-UHFFFAOYSA-N 1 2 267.358 0.498 20 30 CCEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1CCCO1 ZINC000776235928 582063969 /nfs/dbraw/zinc/06/39/69/582063969.db2.gz UUEGVURGZKDMKP-NEPJUHHUSA-N 1 2 276.340 0.742 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751017619 582068487 /nfs/dbraw/zinc/06/84/87/582068487.db2.gz XCFVQKSCCORTCI-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751017619 582068490 /nfs/dbraw/zinc/06/84/90/582068490.db2.gz XCFVQKSCCORTCI-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000776466260 582074023 /nfs/dbraw/zinc/07/40/23/582074023.db2.gz BPQREDYBSBKQCQ-CHWSQXEVSA-N 1 2 250.342 0.579 20 30 CCEDLO C=CCCC[N@@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776763117 582089371 /nfs/dbraw/zinc/08/93/71/582089371.db2.gz XAOLSZJTCROZRH-UHFFFAOYSA-N 1 2 261.329 0.986 20 30 CCEDLO C=CCCC[N@H+](C)Cn1ncc2cn(C)nc2c1=O ZINC000776763117 582089372 /nfs/dbraw/zinc/08/93/72/582089372.db2.gz XAOLSZJTCROZRH-UHFFFAOYSA-N 1 2 261.329 0.986 20 30 CCEDLO C#CCOCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000851773093 612981743 /nfs/dbraw/zinc/98/17/43/612981743.db2.gz IOBCHISYYWBZEH-NSHDSACASA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCOCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000851773093 612981745 /nfs/dbraw/zinc/98/17/45/612981745.db2.gz IOBCHISYYWBZEH-NSHDSACASA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000805072663 612983419 /nfs/dbraw/zinc/98/34/19/612983419.db2.gz SUXLWDSEUGNBGI-UHFFFAOYSA-N 1 2 288.413 0.118 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000805072663 612983422 /nfs/dbraw/zinc/98/34/22/612983422.db2.gz SUXLWDSEUGNBGI-UHFFFAOYSA-N 1 2 288.413 0.118 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932364122 612948401 /nfs/dbraw/zinc/94/84/01/612948401.db2.gz NCWUKKBUGYNJSR-ZYHUDNBSSA-N 1 2 258.325 0.655 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000931144236 612952570 /nfs/dbraw/zinc/95/25/70/612952570.db2.gz SUMSIFHEWBJMEW-UHFFFAOYSA-N 1 2 260.341 0.882 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000877583983 613071239 /nfs/dbraw/zinc/07/12/39/613071239.db2.gz WFUMCSWVHDDFKS-SRVKXCTJSA-N 1 2 266.341 0.588 20 30 CCEDLO C#CC[N@@H+](CCC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000828062489 613107791 /nfs/dbraw/zinc/10/77/91/613107791.db2.gz JUBSYAQIWCXRKF-UONOGXRCSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000828062489 613107794 /nfs/dbraw/zinc/10/77/94/613107794.db2.gz JUBSYAQIWCXRKF-UONOGXRCSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CCC(CC#C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000803697912 612968146 /nfs/dbraw/zinc/96/81/46/612968146.db2.gz XEIAWJJONRDNOB-CYBMUJFWSA-N 1 2 263.337 0.913 20 30 CCEDLO C#CCC(CC#C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000803697912 612968148 /nfs/dbraw/zinc/96/81/48/612968148.db2.gz XEIAWJJONRDNOB-CYBMUJFWSA-N 1 2 263.337 0.913 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cn(C)cn1 ZINC000926127700 613885936 /nfs/dbraw/zinc/88/59/36/613885936.db2.gz YYAWGPAISSYQBT-SNVBAGLBSA-N 1 2 257.359 0.672 20 30 CCEDLO CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121395880 614185381 /nfs/dbraw/zinc/18/53/81/614185381.db2.gz KJCRXTKGGQXZTF-SNVBAGLBSA-N 1 2 259.350 0.551 20 30 CCEDLO C#CC1(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000883271203 612949590 /nfs/dbraw/zinc/94/95/90/612949590.db2.gz HYXXBBAPMIDCDO-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CC1(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000883271203 612949591 /nfs/dbraw/zinc/94/95/91/612949591.db2.gz HYXXBBAPMIDCDO-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC000925424460 612968339 /nfs/dbraw/zinc/96/83/39/612968339.db2.gz XRKIHFIPKMWYAR-ARJAWSKDSA-N 1 2 292.379 0.564 20 30 CCEDLO C#CCCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000806911289 612980724 /nfs/dbraw/zinc/98/07/24/612980724.db2.gz WQKXXIQMTZSUJL-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000806911289 612980725 /nfs/dbraw/zinc/98/07/25/612980725.db2.gz WQKXXIQMTZSUJL-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCN(CCOC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000912728885 612986401 /nfs/dbraw/zinc/98/64/01/612986401.db2.gz PHVYLXNIDBRJKX-SQFISAMPSA-N 1 2 294.395 0.763 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000853983609 612987069 /nfs/dbraw/zinc/98/70/69/612987069.db2.gz HSEUGYKVTHZRHT-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000853983609 612987071 /nfs/dbraw/zinc/98/70/71/612987071.db2.gz HSEUGYKVTHZRHT-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC000865085278 613009134 /nfs/dbraw/zinc/00/91/34/613009134.db2.gz MGFJVRXEIYNDEI-UHFFFAOYSA-N 1 2 268.332 0.673 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)CC1 ZINC000900473251 613010912 /nfs/dbraw/zinc/01/09/12/613010912.db2.gz DBYJVPRFDMPMQM-UHFFFAOYSA-N 1 2 299.334 0.445 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)nc2OC)CC1 ZINC000948653827 613011039 /nfs/dbraw/zinc/01/10/39/613011039.db2.gz ZKCLXKZHCURWKM-UHFFFAOYSA-N 1 2 288.351 0.575 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000895887122 613011216 /nfs/dbraw/zinc/01/12/16/613011216.db2.gz ZGPGNNODEBILKE-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncc3nc[nH]c32)CC1 ZINC000895887122 613011218 /nfs/dbraw/zinc/01/12/18/613011218.db2.gz ZGPGNNODEBILKE-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCCn1cc[nH+]c1 ZINC000858272927 613020881 /nfs/dbraw/zinc/02/08/81/613020881.db2.gz PIDXVITWDHARMM-LBPRGKRZSA-N 1 2 264.329 0.611 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816672977 613028929 /nfs/dbraw/zinc/02/89/29/613028929.db2.gz OJTQLXBTXRBPPV-ZDUSSCGKSA-N 1 2 269.304 0.986 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923487948 613035896 /nfs/dbraw/zinc/03/58/96/613035896.db2.gz JHPJOIDWZASBMM-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H]1C(=O)N(CCC[NH+]2CCOCC2)N=C1C ZINC000899353337 613043443 /nfs/dbraw/zinc/04/34/43/613043443.db2.gz WTUPIYBXKVVJEL-ZDUSSCGKSA-N 1 2 263.341 0.566 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000867695184 613049230 /nfs/dbraw/zinc/04/92/30/613049230.db2.gz MXIMDFVXFVTDMC-UHFFFAOYSA-N 1 2 288.351 0.797 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000859219750 613050151 /nfs/dbraw/zinc/05/01/51/613050151.db2.gz HAAVATROLXIEMO-VXGBXAGGSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000859219750 613050153 /nfs/dbraw/zinc/05/01/53/613050153.db2.gz HAAVATROLXIEMO-VXGBXAGGSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000858952788 613050458 /nfs/dbraw/zinc/05/04/58/613050458.db2.gz NCDKWWYIMAEZPO-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000799074492 613062838 /nfs/dbraw/zinc/06/28/38/613062838.db2.gz JUJVBBPNHKECIO-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000858861185 613066809 /nfs/dbraw/zinc/06/68/09/613066809.db2.gz ZCIWNQXGZMKWBU-GFCCVEGCSA-N 1 2 276.340 0.763 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000858861185 613066810 /nfs/dbraw/zinc/06/68/10/613066810.db2.gz ZCIWNQXGZMKWBU-GFCCVEGCSA-N 1 2 276.340 0.763 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894854379 613071268 /nfs/dbraw/zinc/07/12/68/613071268.db2.gz IIQOLBOTMUVDAA-SNIKSBKOSA-N 1 2 263.337 0.954 20 30 CCEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000834532859 613071650 /nfs/dbraw/zinc/07/16/50/613071650.db2.gz DMHMQOCZVRDBHD-ZDUSSCGKSA-N 1 2 288.351 0.261 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852262237 613080641 /nfs/dbraw/zinc/08/06/41/613080641.db2.gz HWKYFKURPZYAQW-VXGBXAGGSA-N 1 2 251.330 0.124 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935623221 613085821 /nfs/dbraw/zinc/08/58/21/613085821.db2.gz BIBNKPASOMAWMZ-ZNMIVQPWSA-N 1 2 294.395 0.784 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000847305208 613104483 /nfs/dbraw/zinc/10/44/83/613104483.db2.gz IFIJFEGBMOOULQ-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000847305208 613104484 /nfs/dbraw/zinc/10/44/84/613104484.db2.gz IFIJFEGBMOOULQ-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCN(CC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925583451 613106029 /nfs/dbraw/zinc/10/60/29/613106029.db2.gz LHOIWOIHRQWFMK-CYBMUJFWSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(F)=C(C)C)CC2)C1 ZINC000941372999 613114621 /nfs/dbraw/zinc/11/46/21/613114621.db2.gz QUEXOYYCUZNUGS-UHFFFAOYSA-N 1 2 279.359 0.711 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000941574774 613115818 /nfs/dbraw/zinc/11/58/18/613115818.db2.gz UDDGBSHUYXODBI-UKRRQHHQSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CCN1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326066 613123794 /nfs/dbraw/zinc/12/37/94/613123794.db2.gz MZVQIQXHACIFCU-DZGCQCFKSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CCN1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326066 613123796 /nfs/dbraw/zinc/12/37/96/613123796.db2.gz MZVQIQXHACIFCU-DZGCQCFKSA-N 1 2 293.411 0.165 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823314717 613127347 /nfs/dbraw/zinc/12/73/47/613127347.db2.gz KPGYLHDFZCLDCL-HIFRSBDPSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823314717 613127348 /nfs/dbraw/zinc/12/73/48/613127348.db2.gz KPGYLHDFZCLDCL-HIFRSBDPSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCOCC1 ZINC000856103625 613134066 /nfs/dbraw/zinc/13/40/66/613134066.db2.gz NGPJYCXXPZLVMG-LBPRGKRZSA-N 1 2 261.325 0.805 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000892871709 613154813 /nfs/dbraw/zinc/15/48/13/613154813.db2.gz OKRMQBQUYSWDNO-GJZGRUSLSA-N 1 2 292.427 0.820 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000981207775 613159875 /nfs/dbraw/zinc/15/98/75/613159875.db2.gz WOQPEDZYGBELNM-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000981207775 613159876 /nfs/dbraw/zinc/15/98/76/613159876.db2.gz WOQPEDZYGBELNM-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2(COC)CC2)C1 ZINC000885508237 613175563 /nfs/dbraw/zinc/17/55/63/613175563.db2.gz DFUYJCIBOULZDV-GFCCVEGCSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2(COC)CC2)C1 ZINC000885508237 613175564 /nfs/dbraw/zinc/17/55/64/613175564.db2.gz DFUYJCIBOULZDV-GFCCVEGCSA-N 1 2 286.397 0.182 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000803514395 613176377 /nfs/dbraw/zinc/17/63/77/613176377.db2.gz DKPVBRLMNYMAPS-UKRRQHHQSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC)C2)cc1 ZINC000970253255 613187862 /nfs/dbraw/zinc/18/78/62/613187862.db2.gz JYJFQUTUTUYPPM-GFCCVEGCSA-N 1 2 299.374 0.464 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2CCC2)C1 ZINC000885511278 613192878 /nfs/dbraw/zinc/19/28/78/613192878.db2.gz DWKGTLYRFBVPST-ZDUSSCGKSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CCC2)C1 ZINC000885511278 613192879 /nfs/dbraw/zinc/19/28/79/613192879.db2.gz DWKGTLYRFBVPST-ZDUSSCGKSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC(F)F)C[C@H](C)O ZINC000837010429 613194413 /nfs/dbraw/zinc/19/44/13/613194413.db2.gz AWJUHQDERGEBQS-QWRGUYRKSA-N 1 2 274.311 0.559 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC(F)F)C[C@H](C)O ZINC000837010429 613194415 /nfs/dbraw/zinc/19/44/15/613194415.db2.gz AWJUHQDERGEBQS-QWRGUYRKSA-N 1 2 274.311 0.559 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nn(CC)nc1C ZINC000819597332 613200755 /nfs/dbraw/zinc/20/07/55/613200755.db2.gz PFPPTDNFJYAJRZ-ZDUSSCGKSA-N 1 2 275.356 0.320 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nn(CC)nc1C ZINC000819597332 613200757 /nfs/dbraw/zinc/20/07/57/613200757.db2.gz PFPPTDNFJYAJRZ-ZDUSSCGKSA-N 1 2 275.356 0.320 20 30 CCEDLO C#CCN1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900689043 613204359 /nfs/dbraw/zinc/20/43/59/613204359.db2.gz GHKULVQVJDRARI-SQFISAMPSA-N 1 2 291.395 0.042 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)CC23CCCC3)CC1 ZINC000844681992 613209415 /nfs/dbraw/zinc/20/94/15/613209415.db2.gz CUODHMWSLAKIOX-UHFFFAOYSA-N 1 2 261.369 0.740 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCN(C3CCCC3)C2=O)CC1 ZINC000902041797 613209419 /nfs/dbraw/zinc/20/94/19/613209419.db2.gz QNSXHFOSBHCBKR-UHFFFAOYSA-N 1 2 290.411 0.875 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC[C@H](CCOC)C2=O)CC1 ZINC000902042273 613209421 /nfs/dbraw/zinc/20/94/21/613209421.db2.gz SYCPDCLFDFMITA-CQSZACIVSA-N 1 2 279.384 0.080 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000949307841 613210121 /nfs/dbraw/zinc/21/01/21/613210121.db2.gz RUXUNENIPRYUAL-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000949307841 613210122 /nfs/dbraw/zinc/21/01/22/613210122.db2.gz RUXUNENIPRYUAL-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC000949307841 613210124 /nfs/dbraw/zinc/21/01/24/613210124.db2.gz RUXUNENIPRYUAL-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC000949307841 613210126 /nfs/dbraw/zinc/21/01/26/613210126.db2.gz RUXUNENIPRYUAL-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972573359 613211372 /nfs/dbraw/zinc/21/13/72/613211372.db2.gz VMSNJJJCDWVMHP-BBRMVZONSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972573359 613211374 /nfs/dbraw/zinc/21/13/74/613211374.db2.gz VMSNJJJCDWVMHP-BBRMVZONSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972341643 613211533 /nfs/dbraw/zinc/21/15/33/613211533.db2.gz GIGYGWXIQYSLIG-BBRMVZONSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972341643 613211535 /nfs/dbraw/zinc/21/15/35/613211535.db2.gz GIGYGWXIQYSLIG-BBRMVZONSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972215623 613211675 /nfs/dbraw/zinc/21/16/75/613211675.db2.gz PLQYJRLPRGISRA-CYBMUJFWSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972215623 613211676 /nfs/dbraw/zinc/21/16/76/613211676.db2.gz PLQYJRLPRGISRA-CYBMUJFWSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972372844 613212838 /nfs/dbraw/zinc/21/28/38/613212838.db2.gz FGQUCXNYFPJRMS-DGCLKSJQSA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972372844 613212839 /nfs/dbraw/zinc/21/28/39/613212839.db2.gz FGQUCXNYFPJRMS-DGCLKSJQSA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972519664 613212896 /nfs/dbraw/zinc/21/28/96/613212896.db2.gz XLECUAAMIZYZAU-CABCVRRESA-N 1 2 296.342 0.052 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972519664 613212897 /nfs/dbraw/zinc/21/28/97/613212897.db2.gz XLECUAAMIZYZAU-CABCVRRESA-N 1 2 296.342 0.052 20 30 CCEDLO C#Cc1cncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000840521693 613215668 /nfs/dbraw/zinc/21/56/68/613215668.db2.gz CNJDBMZYHXFHLQ-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000806732286 613216425 /nfs/dbraw/zinc/21/64/25/613216425.db2.gz OGUFQPSVZPHPOI-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000806732286 613216427 /nfs/dbraw/zinc/21/64/27/613216427.db2.gz OGUFQPSVZPHPOI-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C/C(=C/C(=O)N1CCSC[C@@H]1C#N)C[NH+]1CCOCC1 ZINC000901323177 613231625 /nfs/dbraw/zinc/23/16/25/613231625.db2.gz UZDIAXIVIPLHSE-FSBNRTBOSA-N 1 2 295.408 0.732 20 30 CCEDLO C/C(=C\C(=O)N1CC[C@@](O)(CC#N)C1)C[NH+]1CCOCC1 ZINC000911526537 613253158 /nfs/dbraw/zinc/25/31/58/613253158.db2.gz JRCLXLGATVRSCX-VOMSXAGXSA-N 1 2 293.367 0.142 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000971781683 617327152 /nfs/dbraw/zinc/32/71/52/617327152.db2.gz LZWHCXBDJDXJBC-ZDUSSCGKSA-N 1 2 288.351 0.689 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000951129898 613294463 /nfs/dbraw/zinc/29/44/63/613294463.db2.gz DLPQEDJUYBXWJU-LBPRGKRZSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(=O)n(C)cn2)C1 ZINC000950537048 613295902 /nfs/dbraw/zinc/29/59/02/613295902.db2.gz PUOCDXISHJUGMI-UHFFFAOYSA-N 1 2 290.367 0.503 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974598043 613297588 /nfs/dbraw/zinc/29/75/88/613297588.db2.gz OUNHBUDWAPNPAE-NSHDSACASA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974598043 613297589 /nfs/dbraw/zinc/29/75/89/613297589.db2.gz OUNHBUDWAPNPAE-NSHDSACASA-N 1 2 275.356 0.115 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nccnc2N)C1 ZINC000949808393 613297939 /nfs/dbraw/zinc/29/79/39/613297939.db2.gz APUHWZKQDVQPGD-UHFFFAOYSA-N 1 2 275.356 0.781 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)NCCCC)CC1 ZINC000849376461 613328849 /nfs/dbraw/zinc/32/88/49/613328849.db2.gz CZPBDVDVRZBCNP-UHFFFAOYSA-N 1 2 294.399 0.253 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)NCCCC)CC1 ZINC000849376461 613328850 /nfs/dbraw/zinc/32/88/50/613328850.db2.gz CZPBDVDVRZBCNP-UHFFFAOYSA-N 1 2 294.399 0.253 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349364 613330334 /nfs/dbraw/zinc/33/03/34/613330334.db2.gz FVKVEHNPQYLPPM-UHFFFAOYSA-N 1 2 286.331 0.581 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349364 613330336 /nfs/dbraw/zinc/33/03/36/613330336.db2.gz FVKVEHNPQYLPPM-UHFFFAOYSA-N 1 2 286.331 0.581 20 30 CCEDLO C=C(C)C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OC ZINC000870544381 613358522 /nfs/dbraw/zinc/35/85/22/613358522.db2.gz FPHIUBMAXDSLIF-IHVVCDCBSA-N 1 2 296.367 0.499 20 30 CCEDLO C=C(C)C[C@H]([NH2+]C1CCS(=O)CC1)C(=O)OC ZINC000895752287 613359760 /nfs/dbraw/zinc/35/97/60/613359760.db2.gz AMHHBDUPDWUQCE-GCULGPDHSA-N 1 2 259.371 0.995 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543826 613362324 /nfs/dbraw/zinc/36/23/24/613362324.db2.gz KBAGZEWZVCULSO-QWHCGFSZSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543826 613362325 /nfs/dbraw/zinc/36/23/25/613362325.db2.gz KBAGZEWZVCULSO-QWHCGFSZSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC000966130332 613375777 /nfs/dbraw/zinc/37/57/77/613375777.db2.gz GMCYAPGDRFNZSZ-MWLCHTKSSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC000966130332 613375778 /nfs/dbraw/zinc/37/57/78/613375778.db2.gz GMCYAPGDRFNZSZ-MWLCHTKSSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC000939159237 613386201 /nfs/dbraw/zinc/38/62/01/613386201.db2.gz XLUPCJSHUYTUGR-BXKDBHETSA-N 1 2 297.790 0.926 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925595140 613404613 /nfs/dbraw/zinc/40/46/13/613404613.db2.gz NSEKQNIORZIHQN-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@H]1CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000890558019 613422200 /nfs/dbraw/zinc/42/22/00/613422200.db2.gz LAXZOSCKEZPHAM-OLZOCXBDSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938193656 613439687 /nfs/dbraw/zinc/43/96/87/613439687.db2.gz CLGWWJHHTTVJCZ-LBPRGKRZSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933053673 613441599 /nfs/dbraw/zinc/44/15/99/613441599.db2.gz CMKCSZMSPKNPMD-RYUDHWBXSA-N 1 2 269.341 0.720 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000845623059 613444064 /nfs/dbraw/zinc/44/40/64/613444064.db2.gz OWVMJINOKMDECD-VXGBXAGGSA-N 1 2 271.361 0.855 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000879307096 613444546 /nfs/dbraw/zinc/44/45/46/613444546.db2.gz PNRWITOHPRDATP-ZDUSSCGKSA-N 1 2 284.400 0.740 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@@H]2CON(CC)C2=O)CC1 ZINC000886776330 613460866 /nfs/dbraw/zinc/46/08/66/613460866.db2.gz CPIADIXIBDYLAB-LLVKDONJSA-N 1 2 254.330 0.552 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925297221 613475321 /nfs/dbraw/zinc/47/53/21/613475321.db2.gz FLCMRHASUYPRMT-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297221 613475322 /nfs/dbraw/zinc/47/53/22/613475322.db2.gz FLCMRHASUYPRMT-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO CC#CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000820818623 613524263 /nfs/dbraw/zinc/52/42/63/613524263.db2.gz CEJJKCNDWHPALU-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972368232 613570328 /nfs/dbraw/zinc/57/03/28/613570328.db2.gz RKZCZDFKLQPFJU-OCCSQVGLSA-N 1 2 298.333 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972368232 613570330 /nfs/dbraw/zinc/57/03/30/613570330.db2.gz RKZCZDFKLQPFJU-OCCSQVGLSA-N 1 2 298.333 0.968 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972269328 613571230 /nfs/dbraw/zinc/57/12/30/613571230.db2.gz MCHUZHWAIXBQHU-HNNXBMFYSA-N 1 2 288.351 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972269328 613571231 /nfs/dbraw/zinc/57/12/31/613571231.db2.gz MCHUZHWAIXBQHU-HNNXBMFYSA-N 1 2 288.351 0.350 20 30 CCEDLO C=CCCOCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807283412 613573259 /nfs/dbraw/zinc/57/32/59/613573259.db2.gz ZVLPZFNJWYHBLP-LLVKDONJSA-N 1 2 281.312 0.134 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913444950 613578284 /nfs/dbraw/zinc/57/82/84/613578284.db2.gz ICYVNTLUEIMTDZ-AAEUAGOBSA-N 1 2 278.356 0.864 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000927524808 613587727 /nfs/dbraw/zinc/58/77/27/613587727.db2.gz CTGIXRLHXJDSDX-NSHDSACASA-N 1 2 262.313 0.849 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925294587 613591705 /nfs/dbraw/zinc/59/17/05/613591705.db2.gz KWWILJLXHAOULR-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925294587 613591707 /nfs/dbraw/zinc/59/17/07/613591707.db2.gz KWWILJLXHAOULR-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(CC)C2=O)nn1 ZINC000922640044 613599166 /nfs/dbraw/zinc/59/91/66/613599166.db2.gz UVEUYMYYZRSWCG-CYBMUJFWSA-N 1 2 277.372 0.955 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894365893 613650415 /nfs/dbraw/zinc/65/04/15/613650415.db2.gz GXUGCFONGVRYFF-RYUDHWBXSA-N 1 2 278.356 0.846 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894365893 613650417 /nfs/dbraw/zinc/65/04/17/613650417.db2.gz GXUGCFONGVRYFF-RYUDHWBXSA-N 1 2 278.356 0.846 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000951120602 613710968 /nfs/dbraw/zinc/71/09/68/613710968.db2.gz WDGMAUWYVGYIMY-QWHCGFSZSA-N 1 2 279.384 0.608 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000957615563 613716750 /nfs/dbraw/zinc/71/67/50/613716750.db2.gz RDIFOERLASSQGM-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC000950023666 613717387 /nfs/dbraw/zinc/71/73/87/613717387.db2.gz VPWJTFOQPCBPIW-UHFFFAOYSA-N 1 2 250.302 0.070 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2COC)CC1 ZINC000948940118 613717667 /nfs/dbraw/zinc/71/76/67/613717667.db2.gz ZTWFDSPIDBEYBP-UHFFFAOYSA-N 1 2 278.356 0.510 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000840056135 613720726 /nfs/dbraw/zinc/72/07/26/613720726.db2.gz UFFYSNGLDMMYDH-CYBMUJFWSA-N 1 2 292.383 0.564 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000840056135 613720730 /nfs/dbraw/zinc/72/07/30/613720730.db2.gz UFFYSNGLDMMYDH-CYBMUJFWSA-N 1 2 292.383 0.564 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000853538909 613720742 /nfs/dbraw/zinc/72/07/42/613720742.db2.gz LVMMYLBKGSRHOB-LBPRGKRZSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000853538909 613720744 /nfs/dbraw/zinc/72/07/44/613720744.db2.gz LVMMYLBKGSRHOB-LBPRGKRZSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000972612617 613723831 /nfs/dbraw/zinc/72/38/31/613723831.db2.gz VZPGSVLZZPCTML-HNNXBMFYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000972612617 613723834 /nfs/dbraw/zinc/72/38/34/613723834.db2.gz VZPGSVLZZPCTML-HNNXBMFYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 ZINC000972233553 613724629 /nfs/dbraw/zinc/72/46/29/613724629.db2.gz IKTLJEVQDSGTFZ-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 ZINC000972233553 613724632 /nfs/dbraw/zinc/72/46/32/613724632.db2.gz IKTLJEVQDSGTFZ-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972361879 613724753 /nfs/dbraw/zinc/72/47/53/613724753.db2.gz LLXHGABLUHCQNY-ZBFHGGJFSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972361879 613724755 /nfs/dbraw/zinc/72/47/55/613724755.db2.gz LLXHGABLUHCQNY-ZBFHGGJFSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000972344968 613727742 /nfs/dbraw/zinc/72/77/42/613727742.db2.gz YWUKWOKPXFAGSW-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000972344968 613727743 /nfs/dbraw/zinc/72/77/43/613727743.db2.gz YWUKWOKPXFAGSW-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278449 613850498 /nfs/dbraw/zinc/85/04/98/613850498.db2.gz OTMCZVSOTNZTLR-JTQLQIEISA-N 1 2 294.311 0.389 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@H]1CCCO1 ZINC000884103242 613877336 /nfs/dbraw/zinc/87/73/36/613877336.db2.gz DMYXNGTZNKJJMR-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](OC)CC1 ZINC000884393589 613877538 /nfs/dbraw/zinc/87/75/38/613877538.db2.gz HBAXWMIUYMUYCT-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)C1 ZINC000884044940 613877589 /nfs/dbraw/zinc/87/75/89/613877589.db2.gz BAXHXPNODNUTEO-MNOVXSKESA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000884170789 613877632 /nfs/dbraw/zinc/87/76/32/613877632.db2.gz GBYPFNPDHIYDDZ-FRRDWIJNSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000884045590 613877839 /nfs/dbraw/zinc/87/78/39/613877839.db2.gz ZSUBAHSCFMTJLD-TUAOUCFPSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000884173102 613877877 /nfs/dbraw/zinc/87/78/77/613877877.db2.gz MPGRBTXPLYKMSD-STQMWFEESA-N 1 2 298.383 0.707 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447493 613879221 /nfs/dbraw/zinc/87/92/21/613879221.db2.gz MCGXZRPUWYGLCL-LLVKDONJSA-N 1 2 250.302 0.085 20 30 CCEDLO C=CCONC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000840386180 613883506 /nfs/dbraw/zinc/88/35/06/613883506.db2.gz NZWBWOCZCPEAQU-UHFFFAOYSA-N 1 2 287.360 0.093 20 30 CCEDLO C=CCONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000838711865 613883905 /nfs/dbraw/zinc/88/39/05/613883905.db2.gz VQYWURFURUIXNU-RYUDHWBXSA-N 1 2 269.345 0.609 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000914304589 614287832 /nfs/dbraw/zinc/28/78/32/614287832.db2.gz CFWHEAKVMDSTFH-SNVBAGLBSA-N 1 2 282.369 0.667 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855406168 614327439 /nfs/dbraw/zinc/32/74/39/614327439.db2.gz CNEPZPHNMIQBJV-QWHCGFSZSA-N 1 2 252.358 0.871 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855406168 614327442 /nfs/dbraw/zinc/32/74/42/614327442.db2.gz CNEPZPHNMIQBJV-QWHCGFSZSA-N 1 2 252.358 0.871 20 30 CCEDLO CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H](C)C#N ZINC000825635255 614633043 /nfs/dbraw/zinc/63/30/43/614633043.db2.gz MPYMLLGZOLIBHR-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000956606011 614644308 /nfs/dbraw/zinc/64/43/08/614644308.db2.gz PCTROHIWBBJQJQ-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837337770 615047059 /nfs/dbraw/zinc/04/70/59/615047059.db2.gz JXCGKXZWRVNEAB-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837337770 615047060 /nfs/dbraw/zinc/04/70/60/615047060.db2.gz JXCGKXZWRVNEAB-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CCN(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@@H](C)C#N ZINC000853580931 615061120 /nfs/dbraw/zinc/06/11/20/615061120.db2.gz SOFBAUXBQQUWPG-RYUDHWBXSA-N 1 2 275.356 0.927 20 30 CCEDLO CCOC(=O)c1cc(C=NNCCCn2cc[nH+]c2)[nH]n1 ZINC000848416702 615401626 /nfs/dbraw/zinc/40/16/26/615401626.db2.gz VDLNVYFIGVTVFU-UHFFFAOYSA-N 1 2 290.327 0.797 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncncc1C#N ZINC000895800811 615476845 /nfs/dbraw/zinc/47/68/45/615476845.db2.gz CQMYVTFTQUADMV-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H](C#N)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928646319 615479313 /nfs/dbraw/zinc/47/93/13/615479313.db2.gz JKAVFRKBBNXRCN-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC[C@H]1CO)C1(C#N)CCCCC1 ZINC000934030502 615815920 /nfs/dbraw/zinc/81/59/20/615815920.db2.gz ZEWYQAXCTPGDGZ-LBPRGKRZSA-N 1 2 265.357 0.738 20 30 CCEDLO CN(C(=O)C[N@H+]1CC[C@H]1CO)C1(C#N)CCCCC1 ZINC000934030502 615815921 /nfs/dbraw/zinc/81/59/21/615815921.db2.gz ZEWYQAXCTPGDGZ-LBPRGKRZSA-N 1 2 265.357 0.738 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000913515970 615861270 /nfs/dbraw/zinc/86/12/70/615861270.db2.gz VCXFYCWFBCYHNU-UHFFFAOYSA-N 1 2 257.297 0.253 20 30 CCEDLO CC[C@](C)(C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865078186 615942388 /nfs/dbraw/zinc/94/23/88/615942388.db2.gz NXFUTTBTRWCYBH-MUBLQREKSA-N 1 2 251.330 0.683 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)nn1 ZINC000886280940 616091194 /nfs/dbraw/zinc/09/11/94/616091194.db2.gz OLVRODGOSQZGED-GFCCVEGCSA-N 1 2 263.345 0.692 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)nn1 ZINC000886280940 616091195 /nfs/dbraw/zinc/09/11/95/616091195.db2.gz OLVRODGOSQZGED-GFCCVEGCSA-N 1 2 263.345 0.692 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC1 ZINC000906601064 616165880 /nfs/dbraw/zinc/16/58/80/616165880.db2.gz PHANFIZIAVIFCP-YUSALJHKSA-N 1 2 261.325 0.316 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H](CO)C1 ZINC000912740773 616230223 /nfs/dbraw/zinc/23/02/23/616230223.db2.gz COGVTXKSOIICRG-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H](CO)C1 ZINC000912740773 616230224 /nfs/dbraw/zinc/23/02/24/616230224.db2.gz COGVTXKSOIICRG-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1 ZINC000904175677 616250989 /nfs/dbraw/zinc/25/09/89/616250989.db2.gz WHFBGFJWLZPFNT-GFCCVEGCSA-N 1 2 268.288 0.874 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1 ZINC000904175677 616250990 /nfs/dbraw/zinc/25/09/90/616250990.db2.gz WHFBGFJWLZPFNT-GFCCVEGCSA-N 1 2 268.288 0.874 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(CCC#N)CC2)C1(F)F ZINC000895462190 616733431 /nfs/dbraw/zinc/73/34/31/616733431.db2.gz SYGHYUQKJGYLMJ-GHMZBOCLSA-N 1 2 287.310 0.572 20 30 CCEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(CCC#N)CC2)C1(F)F ZINC000895462193 616737577 /nfs/dbraw/zinc/73/75/77/616737577.db2.gz SYGHYUQKJGYLMJ-WDEREUQCSA-N 1 2 287.310 0.572 20 30 CCEDLO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000802310486 616744208 /nfs/dbraw/zinc/74/42/08/616744208.db2.gz WDTHKOFJTKPZJL-QJPTWQEYSA-N 1 2 299.371 0.342 20 30 CCEDLO COC[C@@H](C)NC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811632216 616826926 /nfs/dbraw/zinc/82/69/26/616826926.db2.gz FZGDJTDRCGKVGX-SECBINFHSA-N 1 2 298.416 0.319 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCOCC1 ZINC000880340808 617020424 /nfs/dbraw/zinc/02/04/24/617020424.db2.gz LMTSTDYWJHJOOR-JQWIXIFHSA-N 1 2 270.329 0.473 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922240491 617117028 /nfs/dbraw/zinc/11/70/28/617117028.db2.gz GXUNAHYNRANENO-QWRGUYRKSA-N 1 2 286.378 0.521 20 30 CCEDLO COc1c(C)c[nH+]c(CNC(=O)NCC#CCO)c1C ZINC000923782999 617145740 /nfs/dbraw/zinc/14/57/40/617145740.db2.gz ZOPWBCCKSVTGLT-UHFFFAOYSA-N 1 2 277.324 0.502 20 30 CCEDLO O=[S@]1CCCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000853342609 625305554 /nfs/dbraw/zinc/30/55/54/625305554.db2.gz JOWYDXQJPQHSOH-IBGZPJMESA-N 1 2 287.429 0.587 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCO[C@](C)(C#N)C2)CCO1 ZINC000892596930 623572681 /nfs/dbraw/zinc/57/26/81/623572681.db2.gz RLLYXTPVGJYQGP-GXTWGEPZSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCO[C@](C)(C#N)C2)CCO1 ZINC000892596930 623572689 /nfs/dbraw/zinc/57/26/89/623572689.db2.gz RLLYXTPVGJYQGP-GXTWGEPZSA-N 1 2 296.371 0.031 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532018 623662472 /nfs/dbraw/zinc/66/24/72/623662472.db2.gz OOYQVZVHEVOHPJ-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532018 623662474 /nfs/dbraw/zinc/66/24/74/623662474.db2.gz OOYQVZVHEVOHPJ-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](NCC#N)C1)C2 ZINC000969135944 624466952 /nfs/dbraw/zinc/46/69/52/624466952.db2.gz QDOPGXYTIUGRLS-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](NCC#N)C1)CC2 ZINC000969135944 624466955 /nfs/dbraw/zinc/46/69/55/624466955.db2.gz QDOPGXYTIUGRLS-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000932350398 624497910 /nfs/dbraw/zinc/49/79/10/624497910.db2.gz RXCQCWAEQANTRY-BXUZGUMPSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000932350398 624497912 /nfs/dbraw/zinc/49/79/12/624497912.db2.gz RXCQCWAEQANTRY-BXUZGUMPSA-N 1 2 265.357 0.906 20 30 CCEDLO N#CCCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923771734 624607770 /nfs/dbraw/zinc/60/77/70/624607770.db2.gz FEPNOWKHPBIUGG-OLZOCXBDSA-N 1 2 282.340 0.713 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccccc1Cl ZINC000121319028 624846747 /nfs/dbraw/zinc/84/67/47/624846747.db2.gz DHBQXRBWTBUPMP-UHFFFAOYSA-N 1 2 271.704 0.950 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000891427198 624862257 /nfs/dbraw/zinc/86/22/57/624862257.db2.gz RZIDGBWKYZPDMW-ZDUSSCGKSA-N 1 2 277.328 0.597 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NCCc1ccc(F)cc1 ZINC000121418839 624867775 /nfs/dbraw/zinc/86/77/75/624867775.db2.gz HZPNETNFDBYAQE-SNVBAGLBSA-N 1 2 297.330 0.544 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000891895831 624981675 /nfs/dbraw/zinc/98/16/75/624981675.db2.gz OKFOVCNBJYRHEQ-TZMCWYRMSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000891895829 624983928 /nfs/dbraw/zinc/98/39/28/624983928.db2.gz OKFOVCNBJYRHEQ-JSGCOSHPSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1CO ZINC000934032080 625007594 /nfs/dbraw/zinc/00/75/94/625007594.db2.gz UCNBSZRWJPKOGW-VXGBXAGGSA-N 1 2 265.357 0.784 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1CO ZINC000934032080 625007595 /nfs/dbraw/zinc/00/75/95/625007595.db2.gz UCNBSZRWJPKOGW-VXGBXAGGSA-N 1 2 265.357 0.784 20 30 CCEDLO Cc1nonc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027335763 625836826 /nfs/dbraw/zinc/83/68/26/625836826.db2.gz JTMOFWSZSRXSJI-PWSUYJOCSA-N 1 2 291.355 0.961 20 30 CCEDLO Cc1nonc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027335763 625836831 /nfs/dbraw/zinc/83/68/31/625836831.db2.gz JTMOFWSZSRXSJI-PWSUYJOCSA-N 1 2 291.355 0.961 20 30 CCEDLO NC(=O)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981856930 631328606 /nfs/dbraw/zinc/32/86/06/631328606.db2.gz MHXCAXMTKDGSCB-UHFFFAOYSA-N 1 2 285.347 0.058 20 30 CCEDLO NC(=O)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981856930 631328608 /nfs/dbraw/zinc/32/86/08/631328608.db2.gz MHXCAXMTKDGSCB-UHFFFAOYSA-N 1 2 285.347 0.058 20 30 CCEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000048376202 631708282 /nfs/dbraw/zinc/70/82/82/631708282.db2.gz AKLAJRGNFSHZMH-UHFFFAOYSA-N 1 2 281.287 0.321 20 30 CCEDLO Cc1cc(F)c(C#N)c(N2CC3(C2)CC(=O)NCC[NH2+]3)c1 ZINC000894947616 631884553 /nfs/dbraw/zinc/88/45/53/631884553.db2.gz FSJZMLVKWKLIJO-UHFFFAOYSA-N 1 2 288.326 0.674 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000192106868 631933648 /nfs/dbraw/zinc/93/36/48/631933648.db2.gz RQAQLDWCQUFSHA-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cn3cccnc3n2)CCCN1O ZINC000895157358 631989694 /nfs/dbraw/zinc/98/96/94/631989694.db2.gz BSLRKZSSTHVXIY-JTQLQIEISA-N 1 2 261.285 0.199 20 30 CCEDLO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C#N)cn1 ZINC000895249836 632035989 /nfs/dbraw/zinc/03/59/89/632035989.db2.gz WFGNFMMRKCOEPI-IUODEOHRSA-N 1 2 273.384 0.730 20 30 CCEDLO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C#N)cn1 ZINC000895249836 632035992 /nfs/dbraw/zinc/03/59/92/632035992.db2.gz WFGNFMMRKCOEPI-IUODEOHRSA-N 1 2 273.384 0.730 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC(C)C)cc1 ZINC000054229906 632273981 /nfs/dbraw/zinc/27/39/81/632273981.db2.gz PYURNKOSGTVZOI-UHFFFAOYSA-N 1 2 265.313 0.857 20 30 CCEDLO N#Cc1ccc(O)c(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000896821960 632328735 /nfs/dbraw/zinc/32/87/35/632328735.db2.gz XVENSVUTFWZEPP-GFCCVEGCSA-N 1 2 287.319 0.923 20 30 CCEDLO Cc1[nH]c(CNC(=O)[C@]2(C#N)CCCOC2)[nH+]c1C ZINC000896905163 632356907 /nfs/dbraw/zinc/35/69/07/632356907.db2.gz CEHZRGVKQZITTM-ZDUSSCGKSA-N 1 2 262.313 0.963 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986600900 632777990 /nfs/dbraw/zinc/77/79/90/632777990.db2.gz JHULAWRRJYJPEZ-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987340107 632859038 /nfs/dbraw/zinc/85/90/38/632859038.db2.gz DCKZAPQAHJIZTH-CMPLNLGQSA-N 1 2 261.329 0.065 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCn1cc[nH+]c1 ZINC000989259702 633179459 /nfs/dbraw/zinc/17/94/59/633179459.db2.gz NILLMJZSCMXBBJ-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO COc1nn(C)cc1C[NH2+]Cc1cccc(C#N)n1 ZINC000898025136 633270088 /nfs/dbraw/zinc/27/00/88/633270088.db2.gz GSBMOXXBPWPSLJ-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008490912 650116740 /nfs/dbraw/zinc/11/67/40/650116740.db2.gz WHBZNPRPELZNDL-NWDGAFQWSA-N 1 2 287.367 0.934 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)C2(O)CCCC2)nn1 ZINC000905821073 634912204 /nfs/dbraw/zinc/91/22/04/634912204.db2.gz YYHIMTAAGTXJPK-ZDUSSCGKSA-N 1 2 278.356 0.057 20 30 CCEDLO N#CCCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907321207 635108209 /nfs/dbraw/zinc/10/82/09/635108209.db2.gz QFNGJUJBFWJWSJ-UHFFFAOYSA-N 1 2 290.367 0.854 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ncc1C#N ZINC000912737306 636660795 /nfs/dbraw/zinc/66/07/95/636660795.db2.gz JGQKLHBHLWYSSZ-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ncc1C#N ZINC000912737306 636660800 /nfs/dbraw/zinc/66/08/00/636660800.db2.gz JGQKLHBHLWYSSZ-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CCCOC1 ZINC000913439480 636807794 /nfs/dbraw/zinc/80/77/94/636807794.db2.gz DXVHGKPQPNHJTQ-GXTWGEPZSA-N 1 2 289.339 0.203 20 30 CCEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccccc1 ZINC000171367857 637127876 /nfs/dbraw/zinc/12/78/76/637127876.db2.gz GXGLWZAFDRAFNW-UHFFFAOYSA-N 1 2 256.327 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001015068272 637341987 /nfs/dbraw/zinc/34/19/87/637341987.db2.gz AMNOBMPMEXMLEK-GFCCVEGCSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001015068272 637341993 /nfs/dbraw/zinc/34/19/93/637341993.db2.gz AMNOBMPMEXMLEK-GFCCVEGCSA-N 1 2 295.770 0.942 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993336847 637791734 /nfs/dbraw/zinc/79/17/34/637791734.db2.gz VMWJQAYZNLROTD-CMPLNLGQSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993336847 637791739 /nfs/dbraw/zinc/79/17/39/637791739.db2.gz VMWJQAYZNLROTD-CMPLNLGQSA-N 1 2 275.356 0.258 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915826908 637797541 /nfs/dbraw/zinc/79/75/41/637797541.db2.gz FFUFLVPFJQGZBQ-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915826908 637797545 /nfs/dbraw/zinc/79/75/45/637797545.db2.gz FFUFLVPFJQGZBQ-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000917223168 637959911 /nfs/dbraw/zinc/95/99/11/637959911.db2.gz BKEKATUQKFAIHH-ZIAGYGMSSA-N 1 2 293.415 0.567 20 30 CCEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994818285 638219373 /nfs/dbraw/zinc/21/93/73/638219373.db2.gz QOGIWDHABYBBER-CHWSQXEVSA-N 1 2 298.346 0.254 20 30 CCEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994818285 638219379 /nfs/dbraw/zinc/21/93/79/638219379.db2.gz QOGIWDHABYBBER-CHWSQXEVSA-N 1 2 298.346 0.254 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995559706 638777321 /nfs/dbraw/zinc/77/73/21/638777321.db2.gz KOTMRGUUIMJLCF-KOLCDFICSA-N 1 2 291.355 0.864 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998387672 638914733 /nfs/dbraw/zinc/91/47/33/638914733.db2.gz CWEHNDWNEFTAME-OAHLLOKOSA-N 1 2 290.367 0.882 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014500656 650456656 /nfs/dbraw/zinc/45/66/56/650456656.db2.gz GBALOMMJBIIGCS-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014500656 650456660 /nfs/dbraw/zinc/45/66/60/650456660.db2.gz GBALOMMJBIIGCS-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016140908 638971011 /nfs/dbraw/zinc/97/10/11/638971011.db2.gz IZQYVMAXEZYJAE-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016140908 638971014 /nfs/dbraw/zinc/97/10/14/638971014.db2.gz IZQYVMAXEZYJAE-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999410980 638980382 /nfs/dbraw/zinc/98/03/82/638980382.db2.gz IVYIMYKYRWSHNI-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999410980 638980383 /nfs/dbraw/zinc/98/03/83/638980383.db2.gz IVYIMYKYRWSHNI-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NCC#N)C1 ZINC000999687737 638992703 /nfs/dbraw/zinc/99/27/03/638992703.db2.gz IAQRWSQRWOYWFV-UHFFFAOYSA-N 1 2 261.329 0.065 20 30 CCEDLO C#CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCCC1 ZINC000922217025 639582044 /nfs/dbraw/zinc/58/20/44/639582044.db2.gz CMQSJMLRVSXOLN-AATRIKPKSA-N 1 2 262.353 0.937 20 30 CCEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001004582901 639826396 /nfs/dbraw/zinc/82/63/96/639826396.db2.gz MVZXNRVCVAHQII-GFCCVEGCSA-N 1 2 288.355 0.645 20 30 CCEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001004582901 639826399 /nfs/dbraw/zinc/82/63/99/639826399.db2.gz MVZXNRVCVAHQII-GFCCVEGCSA-N 1 2 288.355 0.645 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015195399 650537137 /nfs/dbraw/zinc/53/71/37/650537137.db2.gz QMFXXCOYOLQRLC-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015195399 650537141 /nfs/dbraw/zinc/53/71/41/650537141.db2.gz QMFXXCOYOLQRLC-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000799136049 640546343 /nfs/dbraw/zinc/54/63/43/640546343.db2.gz JFSFRWOUMQVMEI-NSHDSACASA-N 1 2 290.385 0.071 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000799136049 640546353 /nfs/dbraw/zinc/54/63/53/640546353.db2.gz JFSFRWOUMQVMEI-NSHDSACASA-N 1 2 290.385 0.071 20 30 CCEDLO C[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241261 640694286 /nfs/dbraw/zinc/69/42/86/640694286.db2.gz KVOWIPAZGIOVBG-ZJUUUORDSA-N 1 2 281.291 0.298 20 30 CCEDLO C[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241261 640694289 /nfs/dbraw/zinc/69/42/89/640694289.db2.gz KVOWIPAZGIOVBG-ZJUUUORDSA-N 1 2 281.291 0.298 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716078 650615787 /nfs/dbraw/zinc/61/57/87/650615787.db2.gz OFYNZINAJQBEPD-WOPDTQHZSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716078 650615788 /nfs/dbraw/zinc/61/57/88/650615788.db2.gz OFYNZINAJQBEPD-WOPDTQHZSA-N 1 2 299.802 0.831 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC[C@H]1CCSC1 ZINC000811660165 640984333 /nfs/dbraw/zinc/98/43/33/640984333.db2.gz ICIWKWJVUKOOHP-MRVPVSSYSA-N 1 2 267.358 0.744 20 30 CCEDLO CS(=O)(=O)CC[N@H+](CCOCCC#N)C1CC1 ZINC000815075881 641089887 /nfs/dbraw/zinc/08/98/87/641089887.db2.gz GWBOMAGBQGRYQZ-UHFFFAOYSA-N 1 2 260.359 0.426 20 30 CCEDLO CS(=O)(=O)CC[N@@H+](CCOCCC#N)C1CC1 ZINC000815075881 641089891 /nfs/dbraw/zinc/08/98/91/641089891.db2.gz GWBOMAGBQGRYQZ-UHFFFAOYSA-N 1 2 260.359 0.426 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000816563571 641173777 /nfs/dbraw/zinc/17/37/77/641173777.db2.gz BYAGDELUEQASLI-CYBMUJFWSA-N 1 2 289.379 0.961 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827983991 642057404 /nfs/dbraw/zinc/05/74/04/642057404.db2.gz ZQDCZPGTPQFKJD-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827983991 642057406 /nfs/dbraw/zinc/05/74/06/642057406.db2.gz ZQDCZPGTPQFKJD-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#CC1CC1 ZINC000837629913 642758176 /nfs/dbraw/zinc/75/81/76/642758176.db2.gz LMTBUQJSWTURCM-OCCSQVGLSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@](C)(O)C1CC1 ZINC001017488968 650805672 /nfs/dbraw/zinc/80/56/72/650805672.db2.gz OFHMAEMDBCPVMU-IJEWVQPXSA-N 1 2 276.380 0.846 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@](C)(O)C1CC1 ZINC001017488968 650805673 /nfs/dbraw/zinc/80/56/73/650805673.db2.gz OFHMAEMDBCPVMU-IJEWVQPXSA-N 1 2 276.380 0.846 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1N ZINC000844133214 643158971 /nfs/dbraw/zinc/15/89/71/643158971.db2.gz OMVYFSZBKLQEIK-MRVPVSSYSA-N 1 2 256.269 0.436 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001017672314 650817478 /nfs/dbraw/zinc/81/74/78/650817478.db2.gz ITSJPDPCIWLTPV-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001017672314 650817480 /nfs/dbraw/zinc/81/74/80/650817480.db2.gz ITSJPDPCIWLTPV-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncnc1 ZINC001017734440 650820026 /nfs/dbraw/zinc/82/00/26/650820026.db2.gz UNJNEBBZVGFEIK-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncnc1 ZINC001017734440 650820029 /nfs/dbraw/zinc/82/00/29/650820029.db2.gz UNJNEBBZVGFEIK-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC(=O)CC1 ZINC001017765662 650820419 /nfs/dbraw/zinc/82/04/19/650820419.db2.gz KZHZMPJRAQQDLX-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC(=O)CC1 ZINC001017765662 650820422 /nfs/dbraw/zinc/82/04/22/650820422.db2.gz KZHZMPJRAQQDLX-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CO1 ZINC001017755175 650820509 /nfs/dbraw/zinc/82/05/09/650820509.db2.gz XGTIAKCCNKAANF-YIYPIFLZSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CO1 ZINC001017755175 650820512 /nfs/dbraw/zinc/82/05/12/650820512.db2.gz XGTIAKCCNKAANF-YIYPIFLZSA-N 1 2 262.353 0.720 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844473675 643220231 /nfs/dbraw/zinc/22/02/31/643220231.db2.gz KPDGJFJZGJPQCE-IJLUTSLNSA-N 1 2 254.330 0.793 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844473675 643220239 /nfs/dbraw/zinc/22/02/39/643220239.db2.gz KPDGJFJZGJPQCE-IJLUTSLNSA-N 1 2 254.330 0.793 20 30 CCEDLO C[C@H](CC(=O)OCC(=O)NC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845285210 643300648 /nfs/dbraw/zinc/30/06/48/643300648.db2.gz QCISCGIXNIINQJ-LLVKDONJSA-N 1 2 290.323 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC001017958102 650836857 /nfs/dbraw/zinc/83/68/57/650836857.db2.gz CPVNLBLJALRHQD-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC001017958102 650836859 /nfs/dbraw/zinc/83/68/59/650836859.db2.gz CPVNLBLJALRHQD-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C ZINC001018102107 650843661 /nfs/dbraw/zinc/84/36/61/650843661.db2.gz JKVSTDJEHJQGCN-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C ZINC001018102107 650843663 /nfs/dbraw/zinc/84/36/63/650843663.db2.gz JKVSTDJEHJQGCN-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C(C)=O)C1 ZINC001018220615 650848618 /nfs/dbraw/zinc/84/86/18/650848618.db2.gz WWNMTDPLHULIJZ-SOUVJXGZSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C(C)=O)C1 ZINC001018220615 650848622 /nfs/dbraw/zinc/84/86/22/650848622.db2.gz WWNMTDPLHULIJZ-SOUVJXGZSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccccc1=O ZINC001018255461 650850234 /nfs/dbraw/zinc/85/02/34/650850234.db2.gz HCYDOAXRXPBIPM-OKILXGFUSA-N 1 2 285.347 0.157 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccccc1=O ZINC001018255461 650850236 /nfs/dbraw/zinc/85/02/36/650850236.db2.gz HCYDOAXRXPBIPM-OKILXGFUSA-N 1 2 285.347 0.157 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N(C)C1 ZINC001018312213 650852847 /nfs/dbraw/zinc/85/28/47/650852847.db2.gz CIVGHQUXCKWMOB-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N(C)C1 ZINC001018312213 650852851 /nfs/dbraw/zinc/85/28/51/650852851.db2.gz CIVGHQUXCKWMOB-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO Cc1[nH+]cc(C=NNC(=S)NC[C@H]2CCCO2)n1C ZINC000853266913 644095423 /nfs/dbraw/zinc/09/54/23/644095423.db2.gz BVQGGPMSODJPID-LLVKDONJSA-N 1 2 281.385 0.706 20 30 CCEDLO CC(C)C#CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000854940490 644274705 /nfs/dbraw/zinc/27/47/05/644274705.db2.gz DTKUAZKZCYCKKR-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000859330838 644688037 /nfs/dbraw/zinc/68/80/37/644688037.db2.gz LDSUSQZEFCMXTA-CYBMUJFWSA-N 1 2 272.356 0.971 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001019628508 650994162 /nfs/dbraw/zinc/99/41/62/650994162.db2.gz CPUBGRYJVNPPPN-VIFPVBQESA-N 1 2 269.736 0.290 20 30 CCEDLO C[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)Cn1cc[nH+]c1 ZINC000866002459 645457855 /nfs/dbraw/zinc/45/78/55/645457855.db2.gz YCRSKUTWTXYCMV-JSGCOSHPSA-N 1 2 276.340 0.956 20 30 CCEDLO N#CCc1ccnc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000866681563 645571214 /nfs/dbraw/zinc/57/12/14/645571214.db2.gz BOZMYSRFIGAAPD-OWOJBTEDSA-N 1 2 286.335 0.975 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)C(=O)NOc1cccc(C#N)c1 ZINC000870691511 646017544 /nfs/dbraw/zinc/01/75/44/646017544.db2.gz NPQKPNRAHNHSJF-LBPRGKRZSA-N 1 2 289.335 0.937 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+]CC(=O)N2CCOCC2)c1 ZINC000877138667 646740004 /nfs/dbraw/zinc/74/00/04/646740004.db2.gz AMAQQYKABRGWLY-UHFFFAOYSA-N 1 2 294.742 0.555 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000878777004 646977525 /nfs/dbraw/zinc/97/75/25/646977525.db2.gz UWPBZQDGRHVSOQ-MJBXVCDLSA-N 1 2 294.399 0.152 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000878777004 646977529 /nfs/dbraw/zinc/97/75/29/646977529.db2.gz UWPBZQDGRHVSOQ-MJBXVCDLSA-N 1 2 294.399 0.152 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886794799 648015255 /nfs/dbraw/zinc/01/52/55/648015255.db2.gz DTMBYJDHYBAHLF-JTQLQIEISA-N 1 2 279.262 0.263 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886794799 648015260 /nfs/dbraw/zinc/01/52/60/648015260.db2.gz DTMBYJDHYBAHLF-JTQLQIEISA-N 1 2 279.262 0.263 20 30 CCEDLO Cc1ccnc(N2CC[NH+](C[C@H](O)CC#N)CC2)c1 ZINC000929846987 648803299 /nfs/dbraw/zinc/80/32/99/648803299.db2.gz VBFDZXWRURAOML-CYBMUJFWSA-N 1 2 260.341 0.787 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000931621088 649007846 /nfs/dbraw/zinc/00/78/46/649007846.db2.gz UMVULQRAJUUOED-RKDXNWHRSA-N 1 2 252.236 0.914 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000931621088 649007848 /nfs/dbraw/zinc/00/78/48/649007848.db2.gz UMVULQRAJUUOED-RKDXNWHRSA-N 1 2 252.236 0.914 20 30 CCEDLO N#C[C@]12CN(CCCn3cc[nH+]c3)C[C@H]1CS(=O)(=O)C2 ZINC000932960030 649106629 /nfs/dbraw/zinc/10/66/29/649106629.db2.gz BDFNFNDFHQTFSG-QWHCGFSZSA-N 1 2 294.380 0.143 20 30 CCEDLO C[C@H]1C[N@H+](CCN2CCO[C@](C)(C#N)C2)CCO1 ZINC000933607180 649129051 /nfs/dbraw/zinc/12/90/51/649129051.db2.gz NAXVBNNOOQKPKP-QWHCGFSZSA-N 1 2 253.346 0.322 20 30 CCEDLO C[C@H]1C[N@@H+](CCN2CCO[C@](C)(C#N)C2)CCO1 ZINC000933607180 649129055 /nfs/dbraw/zinc/12/90/55/649129055.db2.gz NAXVBNNOOQKPKP-QWHCGFSZSA-N 1 2 253.346 0.322 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C2OCCO2)CCC1 ZINC000933899425 649147092 /nfs/dbraw/zinc/14/70/92/649147092.db2.gz MVOPUGBEEFHSJM-LLVKDONJSA-N 1 2 279.340 0.386 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C2OCCO2)CCC1 ZINC000933899425 649147094 /nfs/dbraw/zinc/14/70/94/649147094.db2.gz MVOPUGBEEFHSJM-LLVKDONJSA-N 1 2 279.340 0.386 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1)C1CC1 ZINC000933905030 649147962 /nfs/dbraw/zinc/14/79/62/649147962.db2.gz AUIOQGNRWKSNEI-IUODEOHRSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1)C1CC1 ZINC000933905030 649147966 /nfs/dbraw/zinc/14/79/66/649147966.db2.gz AUIOQGNRWKSNEI-IUODEOHRSA-N 1 2 293.367 0.632 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000934516214 649178014 /nfs/dbraw/zinc/17/80/14/649178014.db2.gz DMCRBFXBLDKXFF-OCCSQVGLSA-N 1 2 280.368 0.788 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000934516214 649178019 /nfs/dbraw/zinc/17/80/19/649178019.db2.gz DMCRBFXBLDKXFF-OCCSQVGLSA-N 1 2 280.368 0.788 20 30 CCEDLO N#CCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935337963 649226679 /nfs/dbraw/zinc/22/66/79/649226679.db2.gz AYPQGXCFRRWWEC-OLZOCXBDSA-N 1 2 281.356 0.286 20 30 CCEDLO C=C(Br)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189361473 649375000 /nfs/dbraw/zinc/37/50/00/649375000.db2.gz SWINEEFUSFWYEH-JTQLQIEISA-N 1 2 263.179 0.893 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948949247 649403916 /nfs/dbraw/zinc/40/39/16/649403916.db2.gz SBHUAGXXEJMMEC-GFCCVEGCSA-N 1 2 273.340 0.113 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951870253 649568670 /nfs/dbraw/zinc/56/86/70/649568670.db2.gz PMRORTMCZCENED-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[NH+]1CCN(c2ncc(Cl)nc2C(N)=O)CC1 ZINC001165031834 721868293 /nfs/dbraw/zinc/86/82/93/721868293.db2.gz XIGMNZCNYBCWSJ-UHFFFAOYSA-N 1 2 281.747 0.537 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230561957 805623415 /nfs/dbraw/zinc/62/34/15/805623415.db2.gz JXWWOPKWXIEUKF-NWDGAFQWSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230561957 805623416 /nfs/dbraw/zinc/62/34/16/805623416.db2.gz JXWWOPKWXIEUKF-NWDGAFQWSA-N 1 2 265.357 0.067 20 30 CCEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266285730 790407167 /nfs/dbraw/zinc/40/71/67/790407167.db2.gz KWEMSWHHRYPLSQ-KGLIPLIRSA-N 1 2 294.399 0.059 20 30 CCEDLO C[N@H+](CCNC(=O)C[C@H]1C=CCCC1)CC(=O)NCC#N ZINC001266286179 790409374 /nfs/dbraw/zinc/40/93/74/790409374.db2.gz BQAAEJLXUJSNGU-ZDUSSCGKSA-N 1 2 292.383 0.421 20 30 CCEDLO C[N@@H+](CCNC(=O)C[C@H]1C=CCCC1)CC(=O)NCC#N ZINC001266286179 790409376 /nfs/dbraw/zinc/40/93/76/790409376.db2.gz BQAAEJLXUJSNGU-ZDUSSCGKSA-N 1 2 292.383 0.421 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1COCC2 ZINC001039035971 790425622 /nfs/dbraw/zinc/42/56/22/790425622.db2.gz QBTNQNZCAUSCPY-NSHDSACASA-N 1 2 289.335 0.575 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1COCC2 ZINC001039035971 790425630 /nfs/dbraw/zinc/42/56/30/790425630.db2.gz QBTNQNZCAUSCPY-NSHDSACASA-N 1 2 289.335 0.575 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266319535 790498190 /nfs/dbraw/zinc/49/81/90/790498190.db2.gz NGOUTEQKCWKNLV-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266319535 790498198 /nfs/dbraw/zinc/49/81/98/790498198.db2.gz NGOUTEQKCWKNLV-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682955 805647484 /nfs/dbraw/zinc/64/74/84/805647484.db2.gz YOQTXJPXKLUSBU-KGLIPLIRSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682955 805647490 /nfs/dbraw/zinc/64/74/90/805647490.db2.gz YOQTXJPXKLUSBU-KGLIPLIRSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230775095 805663420 /nfs/dbraw/zinc/66/34/20/805663420.db2.gz CMIYFUIJPVLNIC-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230775095 805663423 /nfs/dbraw/zinc/66/34/23/805663423.db2.gz CMIYFUIJPVLNIC-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO Cc1cc(=O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)o1 ZINC001230898803 805686552 /nfs/dbraw/zinc/68/65/52/805686552.db2.gz VBJMCQFOYCUDKE-GQTXGERZSA-N 1 2 263.293 0.939 20 30 CCEDLO Cc1cc(=O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)o1 ZINC001230898803 805686560 /nfs/dbraw/zinc/68/65/60/805686560.db2.gz VBJMCQFOYCUDKE-GQTXGERZSA-N 1 2 263.293 0.939 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001231169905 805743314 /nfs/dbraw/zinc/74/33/14/805743314.db2.gz LAXUWOOGFZFGPI-VXGBXAGGSA-N 1 2 293.367 0.291 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001231169905 805743321 /nfs/dbraw/zinc/74/33/21/805743321.db2.gz LAXUWOOGFZFGPI-VXGBXAGGSA-N 1 2 293.367 0.291 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001231412973 805797272 /nfs/dbraw/zinc/79/72/72/805797272.db2.gz LAVFRSYFBLQDRY-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001231412973 805797279 /nfs/dbraw/zinc/79/72/79/805797279.db2.gz LAVFRSYFBLQDRY-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cn1 ZINC001277687787 805961255 /nfs/dbraw/zinc/96/12/55/805961255.db2.gz YBQPVLYFUGMRJV-OKILXGFUSA-N 1 2 299.378 0.694 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cn1 ZINC001277687787 805961257 /nfs/dbraw/zinc/96/12/57/805961257.db2.gz YBQPVLYFUGMRJV-OKILXGFUSA-N 1 2 299.378 0.694 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266853901 791291327 /nfs/dbraw/zinc/29/13/27/791291327.db2.gz WBFAINFZWFCFFI-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266853901 791291334 /nfs/dbraw/zinc/29/13/34/791291334.db2.gz WBFAINFZWFCFFI-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001266927680 791360336 /nfs/dbraw/zinc/36/03/36/791360336.db2.gz LCTLAHJYQBFEOH-SECBINFHSA-N 1 2 268.317 0.175 20 30 CCEDLO N#CC1(c2cc[nH+]c(N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC001167565457 791548530 /nfs/dbraw/zinc/54/85/30/791548530.db2.gz SHSAUMZYTXBDIA-SNVBAGLBSA-N 1 2 270.292 0.854 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](CC)O1 ZINC001267197362 791657950 /nfs/dbraw/zinc/65/79/50/791657950.db2.gz LFZOXWNZTNJCQD-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](CC)O1 ZINC001267197362 791657957 /nfs/dbraw/zinc/65/79/57/791657957.db2.gz LFZOXWNZTNJCQD-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001267210988 791680737 /nfs/dbraw/zinc/68/07/37/791680737.db2.gz OJGUAEFFCLKVGM-LBPRGKRZSA-N 1 2 279.384 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001267210988 791680742 /nfs/dbraw/zinc/68/07/42/791680742.db2.gz OJGUAEFFCLKVGM-LBPRGKRZSA-N 1 2 279.384 0.220 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233599988 806089787 /nfs/dbraw/zinc/08/97/87/806089787.db2.gz HKWFQQAFCJQUGH-HNNXBMFYSA-N 1 2 289.379 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233599988 806089795 /nfs/dbraw/zinc/08/97/95/806089795.db2.gz HKWFQQAFCJQUGH-HNNXBMFYSA-N 1 2 289.379 0.821 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233948451 806156508 /nfs/dbraw/zinc/15/65/08/806156508.db2.gz WBDWXUQXDKWSRQ-NEPJUHHUSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233948451 806156512 /nfs/dbraw/zinc/15/65/12/806156512.db2.gz WBDWXUQXDKWSRQ-NEPJUHHUSA-N 1 2 265.357 0.196 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234160493 806192079 /nfs/dbraw/zinc/19/20/79/806192079.db2.gz HLQVUIAPOUEMCM-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234160493 806192084 /nfs/dbraw/zinc/19/20/84/806192084.db2.gz HLQVUIAPOUEMCM-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1cnon1 ZINC001234154782 806192600 /nfs/dbraw/zinc/19/26/00/806192600.db2.gz PWIQLIBUVRCJJD-UHFFFAOYSA-N 1 2 283.357 0.264 20 30 CCEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1cnon1 ZINC001234154782 806192605 /nfs/dbraw/zinc/19/26/05/806192605.db2.gz PWIQLIBUVRCJJD-UHFFFAOYSA-N 1 2 283.357 0.264 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177919 806195286 /nfs/dbraw/zinc/19/52/86/806195286.db2.gz GJUNRDDELWAORA-UONOGXRCSA-N 1 2 289.379 0.211 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177919 806195292 /nfs/dbraw/zinc/19/52/92/806195292.db2.gz GJUNRDDELWAORA-UONOGXRCSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468431 806253187 /nfs/dbraw/zinc/25/31/87/806253187.db2.gz ZJIBANWPWJPACA-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468431 806253188 /nfs/dbraw/zinc/25/31/88/806253188.db2.gz ZJIBANWPWJPACA-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234604158 806285109 /nfs/dbraw/zinc/28/51/09/806285109.db2.gz MLBKEDUJYUWQJP-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234604158 806285110 /nfs/dbraw/zinc/28/51/10/806285110.db2.gz MLBKEDUJYUWQJP-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCC#N)n(C)n1 ZINC001277939438 806412321 /nfs/dbraw/zinc/41/23/21/806412321.db2.gz SCZBBHLHPRIIRP-GASCZTMLSA-N 1 2 289.383 0.527 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCC#N)n(C)n1 ZINC001277939438 806412324 /nfs/dbraw/zinc/41/23/24/806412324.db2.gz SCZBBHLHPRIIRP-GASCZTMLSA-N 1 2 289.383 0.527 20 30 CCEDLO CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277939537 806412893 /nfs/dbraw/zinc/41/28/93/806412893.db2.gz WHTRFFASGQGALD-HNNXBMFYSA-N 1 2 294.399 0.155 20 30 CCEDLO CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277939537 806412899 /nfs/dbraw/zinc/41/28/99/806412899.db2.gz WHTRFFASGQGALD-HNNXBMFYSA-N 1 2 294.399 0.155 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC001277943176 806418784 /nfs/dbraw/zinc/41/87/84/806418784.db2.gz OJHAFYLZYCMIII-BETUJISGSA-N 1 2 264.373 0.527 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC001277943176 806418787 /nfs/dbraw/zinc/41/87/87/806418787.db2.gz OJHAFYLZYCMIII-BETUJISGSA-N 1 2 264.373 0.527 20 30 CCEDLO N#CCc1ccccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC001235527012 806444356 /nfs/dbraw/zinc/44/43/56/806444356.db2.gz FTPJSLUZTNYTBF-CYBMUJFWSA-N 1 2 259.309 0.439 20 30 CCEDLO N#CCc1ccccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001235527012 806444362 /nfs/dbraw/zinc/44/43/62/806444362.db2.gz FTPJSLUZTNYTBF-CYBMUJFWSA-N 1 2 259.309 0.439 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)C[C@H]1CCN1CC#N ZINC001235742149 806497922 /nfs/dbraw/zinc/49/79/22/806497922.db2.gz LPSGEYMGAKNVPS-CYBMUJFWSA-N 1 2 288.351 0.689 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCSC[C@H]1C#N ZINC001123783524 799474151 /nfs/dbraw/zinc/47/41/51/799474151.db2.gz RCRHOMXUNOAPTG-SNVBAGLBSA-N 1 2 264.354 0.820 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202903927 799789754 /nfs/dbraw/zinc/78/97/54/799789754.db2.gz RRHGIJPTOYCPIV-NSHDSACASA-N 1 2 267.329 0.205 20 30 CCEDLO O=C(Cn1cc[nH+]c1)NCc1ccc(C(=O)NO)cc1 ZINC001139232342 799797848 /nfs/dbraw/zinc/79/78/48/799797848.db2.gz IUPGBWCOCILGSS-UHFFFAOYSA-N 1 2 274.280 0.319 20 30 CCEDLO C[N@@H+](Cc1cccc(Cl)c1C#N)C[C@@H](O)CO ZINC001139688371 799829810 /nfs/dbraw/zinc/82/98/10/799829810.db2.gz ISWLAHUUUZOTKK-SNVBAGLBSA-N 1 2 254.717 0.997 20 30 CCEDLO C[N@H+](Cc1cccc(Cl)c1C#N)C[C@@H](O)CO ZINC001139688371 799829817 /nfs/dbraw/zinc/82/98/17/799829817.db2.gz ISWLAHUUUZOTKK-SNVBAGLBSA-N 1 2 254.717 0.997 20 30 CCEDLO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153006855 800580466 /nfs/dbraw/zinc/58/04/66/800580466.db2.gz JEMYZSPXWMTYBZ-LLVKDONJSA-N 1 2 281.356 0.995 20 30 CCEDLO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153006855 800580471 /nfs/dbraw/zinc/58/04/71/800580471.db2.gz JEMYZSPXWMTYBZ-LLVKDONJSA-N 1 2 281.356 0.995 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001153135666 800599801 /nfs/dbraw/zinc/59/98/01/800599801.db2.gz XMCJYCNMTANIFL-JTQLQIEISA-N 1 2 268.317 0.175 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1cnc(Cl)cn1 ZINC001156332259 801152376 /nfs/dbraw/zinc/15/23/76/801152376.db2.gz FZRPZJZVKONQCV-ZETCQYMHSA-N 1 2 289.673 0.856 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2c1 ZINC001157276208 801340913 /nfs/dbraw/zinc/34/09/13/801340913.db2.gz LVHUAKMEEBUFLN-NGFQHRJXSA-N 1 2 299.330 0.621 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(C)cc1C#N ZINC001157770535 801477479 /nfs/dbraw/zinc/47/74/79/801477479.db2.gz LQDZRVCPQIIPJM-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(C)cc1C#N ZINC001157770535 801477483 /nfs/dbraw/zinc/47/74/83/801477483.db2.gz LQDZRVCPQIIPJM-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO NC(=O)[C@H]1CCCN1c1cc(NCCCS)[nH+]cn1 ZINC001159871361 801884609 /nfs/dbraw/zinc/88/46/09/801884609.db2.gz APGIXQUTAFNTCT-SECBINFHSA-N 1 2 281.385 0.663 20 30 CCEDLO NC(=O)[C@H]1CCCN1c1cc(NCCCS)nc[nH+]1 ZINC001159871361 801884618 /nfs/dbraw/zinc/88/46/18/801884618.db2.gz APGIXQUTAFNTCT-SECBINFHSA-N 1 2 281.385 0.663 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161308502 802123307 /nfs/dbraw/zinc/12/33/07/802123307.db2.gz BFHCSJABHFJYIQ-NSHDSACASA-N 1 2 261.329 0.065 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(OC)c1C#N ZINC001161950389 802257566 /nfs/dbraw/zinc/25/75/66/802257566.db2.gz OCRCJYWXQMFXNS-SECBINFHSA-N 1 2 264.285 0.264 20 30 CCEDLO Cc1nc(C#N)cnc1NC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001162854621 802429875 /nfs/dbraw/zinc/42/98/75/802429875.db2.gz TUWVVVPZCQAPON-JTQLQIEISA-N 1 2 277.328 0.738 20 30 CCEDLO COCc1noc(C[N@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001264971191 809682256 /nfs/dbraw/zinc/68/22/56/809682256.db2.gz LMVCWDHEDVYOMA-SNVBAGLBSA-N 1 2 295.343 0.314 20 30 CCEDLO COCc1noc(C[N@@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001264971191 809682260 /nfs/dbraw/zinc/68/22/60/809682260.db2.gz LMVCWDHEDVYOMA-SNVBAGLBSA-N 1 2 295.343 0.314 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1=CCOCC1 ZINC001268234126 812393172 /nfs/dbraw/zinc/39/31/72/812393172.db2.gz DBBSWJTUOBRWNG-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1=CCOCC1 ZINC001268234126 812393180 /nfs/dbraw/zinc/39/31/80/812393180.db2.gz DBBSWJTUOBRWNG-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208353867 803508183 /nfs/dbraw/zinc/50/81/83/803508183.db2.gz PEPJCNYIGRFYOW-NQBHXWOUSA-N 1 2 298.362 0.057 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208353867 803508185 /nfs/dbraw/zinc/50/81/85/803508185.db2.gz PEPJCNYIGRFYOW-NQBHXWOUSA-N 1 2 298.362 0.057 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 ZINC001213426173 803694243 /nfs/dbraw/zinc/69/42/43/803694243.db2.gz SOYBELUDVMMQFL-GHMZBOCLSA-N 1 2 254.305 0.185 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 ZINC001213426173 803694245 /nfs/dbraw/zinc/69/42/45/803694245.db2.gz SOYBELUDVMMQFL-GHMZBOCLSA-N 1 2 254.305 0.185 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)C=CCC1 ZINC001272087175 814957514 /nfs/dbraw/zinc/95/75/14/814957514.db2.gz MPGKVOAHVVKVLE-MRXNPFEDSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@]1(C)C=CCC1 ZINC001272087175 814957519 /nfs/dbraw/zinc/95/75/19/814957519.db2.gz MPGKVOAHVVKVLE-MRXNPFEDSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cocc1C ZINC001272087523 814958598 /nfs/dbraw/zinc/95/85/98/814958598.db2.gz TZUOSIYJXJISKE-UHFFFAOYSA-N 1 2 293.367 0.894 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cocc1C ZINC001272087523 814958602 /nfs/dbraw/zinc/95/86/02/814958602.db2.gz TZUOSIYJXJISKE-UHFFFAOYSA-N 1 2 293.367 0.894 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001215429505 803807624 /nfs/dbraw/zinc/80/76/24/803807624.db2.gz GBISDIXOTJUBQP-VXGBXAGGSA-N 1 2 292.387 0.503 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](OCC)C3CC3)[C@H]2C1 ZINC001217915130 803925393 /nfs/dbraw/zinc/92/53/93/803925393.db2.gz LPUPFMLRTGCJRT-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](OCC)C3CC3)[C@H]2C1 ZINC001217915130 803925402 /nfs/dbraw/zinc/92/54/02/803925402.db2.gz LPUPFMLRTGCJRT-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)COC)[C@H]2C1 ZINC001218881020 804146477 /nfs/dbraw/zinc/14/64/77/804146477.db2.gz ONHLCYSEFNPQHX-MELADBBJSA-N 1 2 280.368 0.204 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)COC)[C@H]2C1 ZINC001218881020 804146485 /nfs/dbraw/zinc/14/64/85/804146485.db2.gz ONHLCYSEFNPQHX-MELADBBJSA-N 1 2 280.368 0.204 20 30 CCEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001219110012 804204319 /nfs/dbraw/zinc/20/43/19/804204319.db2.gz KDYKSFRJRBINBL-NSHDSACASA-N 1 2 279.271 0.633 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001219333340 804274199 /nfs/dbraw/zinc/27/41/99/804274199.db2.gz XMGWVXNYSZDEIB-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001219333340 804274210 /nfs/dbraw/zinc/27/42/10/804274210.db2.gz XMGWVXNYSZDEIB-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@@H]1O ZINC001219344302 804279470 /nfs/dbraw/zinc/27/94/70/804279470.db2.gz FUSBTUWJXYHCIR-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@@H]1O ZINC001219344302 804279478 /nfs/dbraw/zinc/27/94/78/804279478.db2.gz FUSBTUWJXYHCIR-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC12CC2 ZINC001272117719 815017305 /nfs/dbraw/zinc/01/73/05/815017305.db2.gz OLPITCAJUOZPGK-LBPRGKRZSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC12CC2 ZINC001272117719 815017310 /nfs/dbraw/zinc/01/73/10/815017310.db2.gz OLPITCAJUOZPGK-LBPRGKRZSA-N 1 2 279.384 0.479 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863100 804433473 /nfs/dbraw/zinc/43/34/73/804433473.db2.gz YFQRZDRBVHHKAM-YUELXQCFSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863100 804433479 /nfs/dbraw/zinc/43/34/79/804433479.db2.gz YFQRZDRBVHHKAM-YUELXQCFSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCC)[C@@H](O)C1 ZINC001220615570 804637854 /nfs/dbraw/zinc/63/78/54/804637854.db2.gz IBBFOOYFCQXOON-VNHYZAJKSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCC)[C@@H](O)C1 ZINC001220615570 804637857 /nfs/dbraw/zinc/63/78/57/804637857.db2.gz IBBFOOYFCQXOON-VNHYZAJKSA-N 1 2 266.385 0.997 20 30 CCEDLO C=CCC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001272167905 815035872 /nfs/dbraw/zinc/03/58/72/815035872.db2.gz DACDZJADUGWWIV-SECBINFHSA-N 1 2 286.269 0.873 20 30 CCEDLO C=CCC[NH2+]CCN(CCO)C(=O)[C@@H](F)C(F)(F)F ZINC001272167905 815035879 /nfs/dbraw/zinc/03/58/79/815035879.db2.gz DACDZJADUGWWIV-SECBINFHSA-N 1 2 286.269 0.873 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278375625 807050548 /nfs/dbraw/zinc/05/05/48/807050548.db2.gz RXIJIEKMRXODNR-WFASDCNBSA-N 1 2 294.399 0.643 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCC1CCN(CC#N)CC1 ZINC001225305240 805120521 /nfs/dbraw/zinc/12/05/21/805120521.db2.gz VWKMUAYYPSSDSV-UHFFFAOYSA-N 1 2 289.383 0.704 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001226588794 805251435 /nfs/dbraw/zinc/25/14/35/805251435.db2.gz BOZKARWJEIOAIW-UHFFFAOYSA-N 1 2 292.383 0.703 20 30 CCEDLO CCn1cc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)nn1 ZINC001226639351 805259728 /nfs/dbraw/zinc/25/97/28/805259728.db2.gz BIWGDABCDGEZHS-LLVKDONJSA-N 1 2 290.371 0.538 20 30 CCEDLO C=CCNC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001277173147 805307242 /nfs/dbraw/zinc/30/72/42/805307242.db2.gz WTVWQCYPMZIUBF-STQMWFEESA-N 1 2 283.372 0.651 20 30 CCEDLO C=CCNC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001277173147 805307251 /nfs/dbraw/zinc/30/72/51/805307251.db2.gz WTVWQCYPMZIUBF-STQMWFEESA-N 1 2 283.372 0.651 20 30 CCEDLO CSc1ncc(C#N)c(OC[C@H]2C[N@H+](C)CCO2)n1 ZINC001228681833 805468578 /nfs/dbraw/zinc/46/85/78/805468578.db2.gz PMKYJBXRTJWPHL-SNVBAGLBSA-N 1 2 280.353 0.780 20 30 CCEDLO CSc1ncc(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001228681833 805468585 /nfs/dbraw/zinc/46/85/85/805468585.db2.gz PMKYJBXRTJWPHL-SNVBAGLBSA-N 1 2 280.353 0.780 20 30 CCEDLO Cc1cc(C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)[nH]n1 ZINC001277349835 805497395 /nfs/dbraw/zinc/49/73/95/805497395.db2.gz AOYVKSABKWOBLC-AWEZNQCLSA-N 1 2 299.378 0.912 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278375625 807050542 /nfs/dbraw/zinc/05/05/42/807050542.db2.gz RXIJIEKMRXODNR-WFASDCNBSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001278388916 807058963 /nfs/dbraw/zinc/05/89/63/807058963.db2.gz OGALNUXGGPKMGG-CQSZACIVSA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001278388916 807058966 /nfs/dbraw/zinc/05/89/66/807058966.db2.gz OGALNUXGGPKMGG-CQSZACIVSA-N 1 2 265.357 0.102 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N/C=C/C(=O)C(F)(F)F)C[NH2+]1 ZINC001246261569 807201349 /nfs/dbraw/zinc/20/13/49/807201349.db2.gz RAVBBSKHJYELPH-VHJVCUAWSA-N 1 2 266.219 0.125 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC001088716536 815113497 /nfs/dbraw/zinc/11/34/97/815113497.db2.gz VGHJRKOOWXJHIR-KOLCDFICSA-N 1 2 278.381 0.926 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC001088716536 815113501 /nfs/dbraw/zinc/11/35/01/815113501.db2.gz VGHJRKOOWXJHIR-KOLCDFICSA-N 1 2 278.381 0.926 20 30 CCEDLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001249268762 807550255 /nfs/dbraw/zinc/55/02/55/807550255.db2.gz SRALEAVGNALKQX-HQJQHLMTSA-N 1 2 287.279 0.955 20 30 CCEDLO N#CC1(NC[C@@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC001251035881 807651062 /nfs/dbraw/zinc/65/10/62/807651062.db2.gz QIXDHKROKCVBEU-CQSZACIVSA-N 1 2 281.400 0.886 20 30 CCEDLO CC1(CNC(=O)Cc2[nH]cc[nH+]2)CCN(CC#N)CC1 ZINC001278632875 807676774 /nfs/dbraw/zinc/67/67/74/807676774.db2.gz WZFLQZPLCZYLBO-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CCN(C(C)(C)C)CC1 ZINC001251848295 807717344 /nfs/dbraw/zinc/71/73/44/807717344.db2.gz YGUCRBAFKLGQLF-ZDUSSCGKSA-N 1 2 254.374 0.413 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253576053 808083796 /nfs/dbraw/zinc/08/37/96/808083796.db2.gz JJSQEVPLQRFNFE-MNOVXSKESA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253576053 808083801 /nfs/dbraw/zinc/08/38/01/808083801.db2.gz JJSQEVPLQRFNFE-MNOVXSKESA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001253578068 808084721 /nfs/dbraw/zinc/08/47/21/808084721.db2.gz UWTQSEDMRGOXNJ-VXGBXAGGSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001253578068 808084729 /nfs/dbraw/zinc/08/47/29/808084729.db2.gz UWTQSEDMRGOXNJ-VXGBXAGGSA-N 1 2 280.372 0.781 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001254990566 808305352 /nfs/dbraw/zinc/30/53/52/808305352.db2.gz KOKWZVMDKNGPSF-LLVKDONJSA-N 1 2 265.357 0.102 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001254990566 808305361 /nfs/dbraw/zinc/30/53/61/808305361.db2.gz KOKWZVMDKNGPSF-LLVKDONJSA-N 1 2 265.357 0.102 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001278849142 808328558 /nfs/dbraw/zinc/32/85/58/808328558.db2.gz YIEYYNCRXKBLDJ-FPLPWBNLSA-N 1 2 264.369 0.775 20 30 CCEDLO COCc1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126893750 815198120 /nfs/dbraw/zinc/19/81/20/815198120.db2.gz VYFZZRSPYRAZBZ-UHFFFAOYSA-N 1 2 294.355 0.471 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)/C(C)=C\C)C(C)C ZINC001278899290 808440976 /nfs/dbraw/zinc/44/09/76/808440976.db2.gz HCUYTRPEFQPSIZ-ZSOIEALJSA-N 1 2 293.411 0.871 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)/C(C)=C\C)C(C)C ZINC001278899290 808440979 /nfs/dbraw/zinc/44/09/79/808440979.db2.gz HCUYTRPEFQPSIZ-ZSOIEALJSA-N 1 2 293.411 0.871 20 30 CCEDLO C=CCC[NH+]1CC(O)(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001278919186 808480228 /nfs/dbraw/zinc/48/02/28/808480228.db2.gz MQZPLJVMGZEQTO-UHFFFAOYSA-N 1 2 291.351 0.036 20 30 CCEDLO C=CCN1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC001256388835 808520881 /nfs/dbraw/zinc/52/08/81/808520881.db2.gz GTCOXDOYCCSZFD-UHFFFAOYSA-N 1 2 258.387 0.367 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccccn2)CC1 ZINC001259293540 808752779 /nfs/dbraw/zinc/75/27/79/808752779.db2.gz SEUYWABKTLSSRY-UHFFFAOYSA-N 1 2 280.353 0.348 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN([C@]2(C(=O)OC)CCOC2)CC1 ZINC001261801062 809092321 /nfs/dbraw/zinc/09/23/21/809092321.db2.gz CSVSPEQAHNHCPM-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO N#Cc1csc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)n1 ZINC001261806006 809093220 /nfs/dbraw/zinc/09/32/20/809093220.db2.gz YZMXMJWDDADNST-IUCAKERBSA-N 1 2 253.327 0.047 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001262188806 809232001 /nfs/dbraw/zinc/23/20/01/809232001.db2.gz DQUSOQUMLHSFTH-VXGBXAGGSA-N 1 2 273.336 0.890 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001262188806 809232006 /nfs/dbraw/zinc/23/20/06/809232006.db2.gz DQUSOQUMLHSFTH-VXGBXAGGSA-N 1 2 273.336 0.890 20 30 CCEDLO C=C[C@H](COC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001262337260 809280343 /nfs/dbraw/zinc/28/03/43/809280343.db2.gz JBHLOHCAAQIQRC-MCIONIFRSA-N 1 2 298.383 0.183 20 30 CCEDLO C=C[C@@H](O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC ZINC001263022223 809427761 /nfs/dbraw/zinc/42/77/61/809427761.db2.gz SZPPYXFUUQCMQH-GFCCVEGCSA-N 1 2 295.387 0.286 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263729311 809559027 /nfs/dbraw/zinc/55/90/27/809559027.db2.gz SBPLKNXGCDJNKY-CYBMUJFWSA-N 1 2 268.405 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001076456562 815299172 /nfs/dbraw/zinc/29/91/72/815299172.db2.gz RBAYFTHLLLOCGT-TYNCELHUSA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001076456562 815299177 /nfs/dbraw/zinc/29/91/77/815299177.db2.gz RBAYFTHLLLOCGT-TYNCELHUSA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001076456562 815299181 /nfs/dbraw/zinc/29/91/81/815299181.db2.gz RBAYFTHLLLOCGT-TYNCELHUSA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001076456562 815299185 /nfs/dbraw/zinc/29/91/85/815299185.db2.gz RBAYFTHLLLOCGT-TYNCELHUSA-N 1 2 299.378 0.076 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001264366328 809643908 /nfs/dbraw/zinc/64/39/08/809643908.db2.gz AZICURGXZOMKCC-ZIAGYGMSSA-N 1 2 293.411 0.977 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001264366328 809643912 /nfs/dbraw/zinc/64/39/12/809643912.db2.gz AZICURGXZOMKCC-ZIAGYGMSSA-N 1 2 293.411 0.977 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265223086 809728472 /nfs/dbraw/zinc/72/84/72/809728472.db2.gz QCAKEENSAJXGFA-NWDGAFQWSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265223086 809728475 /nfs/dbraw/zinc/72/84/75/809728475.db2.gz QCAKEENSAJXGFA-NWDGAFQWSA-N 1 2 267.373 0.655 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001265274040 809739384 /nfs/dbraw/zinc/73/93/84/809739384.db2.gz ZZWGJVHPVJEECP-BRADTZPFSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001265274040 809739389 /nfs/dbraw/zinc/73/93/89/809739389.db2.gz ZZWGJVHPVJEECP-BRADTZPFSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001265278318 809744257 /nfs/dbraw/zinc/74/42/57/809744257.db2.gz DINAIIAQFKXMAN-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001265278318 809744259 /nfs/dbraw/zinc/74/42/59/809744259.db2.gz DINAIIAQFKXMAN-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NCC#N ZINC001265826445 809866182 /nfs/dbraw/zinc/86/61/82/809866182.db2.gz HIONGBRZSVDTGK-HBNTYKKESA-N 1 2 261.329 0.141 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076650034 815327395 /nfs/dbraw/zinc/32/73/95/815327395.db2.gz MEPOMWAQNSHTCW-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076650034 815327399 /nfs/dbraw/zinc/32/73/99/815327399.db2.gz MEPOMWAQNSHTCW-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280211951 810009322 /nfs/dbraw/zinc/00/93/22/810009322.db2.gz ATYVOTWGGRUZFI-NEPJUHHUSA-N 1 2 278.356 0.859 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907423 815409765 /nfs/dbraw/zinc/40/97/65/815409765.db2.gz ODHWFCUAGWETQD-RAIGVLPGSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907423 815409768 /nfs/dbraw/zinc/40/97/68/815409768.db2.gz ODHWFCUAGWETQD-RAIGVLPGSA-N 1 2 294.330 0.409 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279033 811151020 /nfs/dbraw/zinc/15/10/20/811151020.db2.gz ALTNWGBRZDLFML-LLVKDONJSA-N 1 2 290.371 0.256 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279033 811151023 /nfs/dbraw/zinc/15/10/23/811151023.db2.gz ALTNWGBRZDLFML-LLVKDONJSA-N 1 2 290.371 0.256 20 30 CCEDLO N#CCN(CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001267328123 811160180 /nfs/dbraw/zinc/16/01/80/811160180.db2.gz LKQIQJAIUFPVEX-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@H](OC)C1 ZINC001213176889 811170545 /nfs/dbraw/zinc/17/05/45/811170545.db2.gz ABVGBKVKDOFZAI-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@H](OC)C1 ZINC001213176889 811170550 /nfs/dbraw/zinc/17/05/50/811170550.db2.gz ABVGBKVKDOFZAI-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001149169110 811200993 /nfs/dbraw/zinc/20/09/93/811200993.db2.gz ZCZWQCVTWABZTR-OAHLLOKOSA-N 1 2 294.395 0.976 20 30 CCEDLO CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001149169110 811200999 /nfs/dbraw/zinc/20/09/99/811200999.db2.gz ZCZWQCVTWABZTR-OAHLLOKOSA-N 1 2 294.395 0.976 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001077014933 815431037 /nfs/dbraw/zinc/43/10/37/815431037.db2.gz URGVAZIGLWRBAQ-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001077014933 815431040 /nfs/dbraw/zinc/43/10/40/815431040.db2.gz URGVAZIGLWRBAQ-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001038288336 811225715 /nfs/dbraw/zinc/22/57/15/811225715.db2.gz PAKJZXCTBBZXIT-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001038288336 811225720 /nfs/dbraw/zinc/22/57/20/811225720.db2.gz PAKJZXCTBBZXIT-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(C#N)c1 ZINC001137699844 811255972 /nfs/dbraw/zinc/25/59/72/811255972.db2.gz XDYLNYCEINCRPL-IUODEOHRSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(C#N)c1 ZINC001137699844 811255979 /nfs/dbraw/zinc/25/59/79/811255979.db2.gz XDYLNYCEINCRPL-IUODEOHRSA-N 1 2 276.336 0.742 20 30 CCEDLO N#Cc1cnccc1N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562053 811318748 /nfs/dbraw/zinc/31/87/48/811318748.db2.gz AZAXMUHXJSGGMK-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001077044886 815439090 /nfs/dbraw/zinc/43/90/90/815439090.db2.gz MPDXCEFMJODYLO-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001077044886 815439095 /nfs/dbraw/zinc/43/90/95/815439095.db2.gz MPDXCEFMJODYLO-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001077061876 815440147 /nfs/dbraw/zinc/44/01/47/815440147.db2.gz OJWHZSNDRCYNSA-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001077061876 815440150 /nfs/dbraw/zinc/44/01/50/815440150.db2.gz OJWHZSNDRCYNSA-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001077178424 815455604 /nfs/dbraw/zinc/45/56/04/815455604.db2.gz JDNJEQCJVCRIGY-ZIAGYGMSSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001077178424 815455607 /nfs/dbraw/zinc/45/56/07/815455607.db2.gz JDNJEQCJVCRIGY-ZIAGYGMSSA-N 1 2 294.301 0.681 20 30 CCEDLO CCOCCC[NH+]1CC(NC(=O)CSCC#N)C1 ZINC001267636486 811596286 /nfs/dbraw/zinc/59/62/86/811596286.db2.gz GDZVTMBJQKSISP-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO CC1(CC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267615632 811567518 /nfs/dbraw/zinc/56/75/18/811567518.db2.gz GLBUICZSTNYEOL-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(CC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267615632 811567523 /nfs/dbraw/zinc/56/75/23/811567523.db2.gz GLBUICZSTNYEOL-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001267623082 811583118 /nfs/dbraw/zinc/58/31/18/811583118.db2.gz AMURSVQCDSXEJM-RYUDHWBXSA-N 1 2 278.356 0.029 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001267623082 811583126 /nfs/dbraw/zinc/58/31/26/811583126.db2.gz AMURSVQCDSXEJM-RYUDHWBXSA-N 1 2 278.356 0.029 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001267639221 811600579 /nfs/dbraw/zinc/60/05/79/811600579.db2.gz AFJPFLHUZXTLLS-WDEREUQCSA-N 1 2 256.346 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001077230501 815464039 /nfs/dbraw/zinc/46/40/39/815464039.db2.gz OVAJILINXOGUOK-BRWVUGGUSA-N 1 2 298.386 0.901 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001077230501 815464042 /nfs/dbraw/zinc/46/40/42/815464042.db2.gz OVAJILINXOGUOK-BRWVUGGUSA-N 1 2 298.386 0.901 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CC2CC2)C1 ZINC001267674164 811638264 /nfs/dbraw/zinc/63/82/64/811638264.db2.gz TXAKGMOTTBCJQR-UHFFFAOYSA-N 1 2 265.357 0.137 20 30 CCEDLO CC(C)C#CC(=O)NCC1C[NH+](CC(=O)NC(C)(C)C)C1 ZINC001267680602 811644709 /nfs/dbraw/zinc/64/47/09/811644709.db2.gz QRMCERIVDGJQNK-UHFFFAOYSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001267727423 811696130 /nfs/dbraw/zinc/69/61/30/811696130.db2.gz GLSUYFMWPIGNEI-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001267727423 811696136 /nfs/dbraw/zinc/69/61/36/811696136.db2.gz GLSUYFMWPIGNEI-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001267729692 811700228 /nfs/dbraw/zinc/70/02/28/811700228.db2.gz CJFSXNLBPNSPGX-ZDUSSCGKSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001267729692 811700231 /nfs/dbraw/zinc/70/02/31/811700231.db2.gz CJFSXNLBPNSPGX-ZDUSSCGKSA-N 1 2 291.395 0.835 20 30 CCEDLO C#CC[NH2+]C[C@](C)(NC(=O)c1[nH]ncc1F)C1CC1 ZINC001267858754 811839189 /nfs/dbraw/zinc/83/91/89/811839189.db2.gz VNGAMAKTBJBVDS-ZDUSSCGKSA-N 1 2 264.304 0.670 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001077358911 815485402 /nfs/dbraw/zinc/48/54/02/815485402.db2.gz MLYPGVVCMAVJKH-GHMZBOCLSA-N 1 2 295.289 0.427 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001077358911 815485407 /nfs/dbraw/zinc/48/54/07/815485407.db2.gz MLYPGVVCMAVJKH-GHMZBOCLSA-N 1 2 295.289 0.427 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001125967423 811950196 /nfs/dbraw/zinc/95/01/96/811950196.db2.gz WCKURANIPJWBRC-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001268020718 811968095 /nfs/dbraw/zinc/96/80/95/811968095.db2.gz JSHBQLUHRHLXAU-DZGCQCFKSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001268020718 811968102 /nfs/dbraw/zinc/96/81/02/811968102.db2.gz JSHBQLUHRHLXAU-DZGCQCFKSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001077400851 815494011 /nfs/dbraw/zinc/49/40/11/815494011.db2.gz VHNOXHKFRQZDQU-ZIAGYGMSSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001077400851 815494015 /nfs/dbraw/zinc/49/40/15/815494015.db2.gz VHNOXHKFRQZDQU-ZIAGYGMSSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001027888346 812121001 /nfs/dbraw/zinc/12/10/01/812121001.db2.gz MQMAZSPWWRMPSI-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001027888346 812121006 /nfs/dbraw/zinc/12/10/06/812121006.db2.gz MQMAZSPWWRMPSI-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)C#CC1CC1 ZINC001268063323 812174981 /nfs/dbraw/zinc/17/49/81/812174981.db2.gz MXHUTBFSMPGEKV-SNVBAGLBSA-N 1 2 278.381 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001038878951 812290230 /nfs/dbraw/zinc/29/02/30/812290230.db2.gz HINCCRGZSOBTJB-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001038878951 812290235 /nfs/dbraw/zinc/29/02/35/812290235.db2.gz HINCCRGZSOBTJB-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105696670 815524069 /nfs/dbraw/zinc/52/40/69/815524069.db2.gz BLMLDDRQHBOPNX-UHFFFAOYSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC1CC1 ZINC001268229075 812385578 /nfs/dbraw/zinc/38/55/78/812385578.db2.gz JBPOCFLIYCIITL-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC1CC1 ZINC001268229075 812385586 /nfs/dbraw/zinc/38/55/86/812385586.db2.gz JBPOCFLIYCIITL-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CC[C@H]2CCCO2)C1 ZINC001268245066 812410603 /nfs/dbraw/zinc/41/06/03/812410603.db2.gz CTGVDSPEVAJJOO-CQSZACIVSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)OCC2CC2)C1 ZINC001268256951 812424668 /nfs/dbraw/zinc/42/46/68/812424668.db2.gz IOIQCRAHOMHTJS-NSHDSACASA-N 1 2 250.342 0.625 20 30 CCEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000300263786 812526142 /nfs/dbraw/zinc/52/61/42/812526142.db2.gz XOOPKSGCBLFEEH-YNEHKIRRSA-N 1 2 256.346 0.634 20 30 CCEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000300263786 812526147 /nfs/dbraw/zinc/52/61/47/812526147.db2.gz XOOPKSGCBLFEEH-YNEHKIRRSA-N 1 2 256.346 0.634 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001028328451 812620991 /nfs/dbraw/zinc/62/09/91/812620991.db2.gz QQPXZDLHLIKMKK-CHWSQXEVSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001028328451 812620997 /nfs/dbraw/zinc/62/09/97/812620997.db2.gz QQPXZDLHLIKMKK-CHWSQXEVSA-N 1 2 298.408 0.168 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NCCC#N)[NH+]1CCOCC1 ZINC000426435660 812805913 /nfs/dbraw/zinc/80/59/13/812805913.db2.gz DDFKLJOHGATBEI-WDEREUQCSA-N 1 2 254.334 0.308 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001126378872 812821603 /nfs/dbraw/zinc/82/16/03/812821603.db2.gz UIATXHROHBEGGU-ZDUSSCGKSA-N 1 2 282.344 0.165 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC001083338587 812888286 /nfs/dbraw/zinc/88/82/86/812888286.db2.gz VRRWDPHWVOBKQO-MNOVXSKESA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC001083338587 812888291 /nfs/dbraw/zinc/88/82/91/812888291.db2.gz VRRWDPHWVOBKQO-MNOVXSKESA-N 1 2 267.716 0.076 20 30 CCEDLO CC(C)C#CC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105707053 815561871 /nfs/dbraw/zinc/56/18/71/815561871.db2.gz KUCGWHGTCNVBBN-UHFFFAOYSA-N 1 2 294.395 0.330 20 30 CCEDLO O=C(CCS)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001268959963 813161841 /nfs/dbraw/zinc/16/18/41/813161841.db2.gz RHAQEFWRRTUVOX-UHFFFAOYSA-N 1 2 293.392 0.751 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001269061517 813198930 /nfs/dbraw/zinc/19/89/30/813198930.db2.gz KCGRILRVASGZFT-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001269061517 813198931 /nfs/dbraw/zinc/19/89/31/813198931.db2.gz KCGRILRVASGZFT-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO O=C(C#CC1CC1)N[C@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001269067449 813202759 /nfs/dbraw/zinc/20/27/59/813202759.db2.gz YTEFZHCSPLDUKI-CYBMUJFWSA-N 1 2 290.392 0.936 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)O ZINC001269229159 813279119 /nfs/dbraw/zinc/27/91/19/813279119.db2.gz DWVMFLXXJRUYSF-RYUDHWBXSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)O ZINC001269229159 813279123 /nfs/dbraw/zinc/27/91/23/813279123.db2.gz DWVMFLXXJRUYSF-RYUDHWBXSA-N 1 2 297.399 0.029 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001269249921 813290572 /nfs/dbraw/zinc/29/05/72/813290572.db2.gz WVIPGWTUKTXFSE-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001269249921 813290575 /nfs/dbraw/zinc/29/05/75/813290575.db2.gz WVIPGWTUKTXFSE-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001269278072 813303635 /nfs/dbraw/zinc/30/36/35/813303635.db2.gz BROMZNOJMAEVFA-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001269278072 813303643 /nfs/dbraw/zinc/30/36/43/813303643.db2.gz BROMZNOJMAEVFA-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001269337678 813331896 /nfs/dbraw/zinc/33/18/96/813331896.db2.gz MUNGLTOWIPXBRJ-IUODEOHRSA-N 1 2 299.374 0.275 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001269337678 813331903 /nfs/dbraw/zinc/33/19/03/813331903.db2.gz MUNGLTOWIPXBRJ-IUODEOHRSA-N 1 2 299.374 0.275 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797544 813522305 /nfs/dbraw/zinc/52/23/05/813522305.db2.gz OWNYSEGPWJNDBC-VXGBXAGGSA-N 1 2 287.367 0.791 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001270507877 813790503 /nfs/dbraw/zinc/79/05/03/813790503.db2.gz OVZVZZXVKJREGC-RTXFEEFZSA-N 1 2 273.340 0.745 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001270507877 813790508 /nfs/dbraw/zinc/79/05/08/813790508.db2.gz OVZVZZXVKJREGC-RTXFEEFZSA-N 1 2 273.340 0.745 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001029243931 814013322 /nfs/dbraw/zinc/01/33/22/814013322.db2.gz RJUHOLVXUHIXHE-RWMBFGLXSA-N 1 2 290.367 0.054 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001029243931 814013327 /nfs/dbraw/zinc/01/33/27/814013327.db2.gz RJUHOLVXUHIXHE-RWMBFGLXSA-N 1 2 290.367 0.054 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1CC ZINC001087511768 814040662 /nfs/dbraw/zinc/04/06/62/814040662.db2.gz GQRSZVJXKFVWAI-VHSXEESVSA-N 1 2 264.354 0.754 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1CC ZINC001087511768 814040670 /nfs/dbraw/zinc/04/06/70/814040670.db2.gz GQRSZVJXKFVWAI-VHSXEESVSA-N 1 2 264.354 0.754 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001038103428 814243707 /nfs/dbraw/zinc/24/37/07/814243707.db2.gz LGPUTUIUYZVNRP-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001038103428 814243717 /nfs/dbraw/zinc/24/37/17/814243717.db2.gz LGPUTUIUYZVNRP-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888633 814320530 /nfs/dbraw/zinc/32/05/30/814320530.db2.gz GMFDKCGOXUBEDS-VXGBXAGGSA-N 1 2 281.381 0.082 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888633 814320537 /nfs/dbraw/zinc/32/05/37/814320537.db2.gz GMFDKCGOXUBEDS-VXGBXAGGSA-N 1 2 281.381 0.082 20 30 CCEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)CCCC#N)C2)C1 ZINC001271253251 814352639 /nfs/dbraw/zinc/35/26/39/814352639.db2.gz YACVDZVTESGXKG-UHFFFAOYSA-N 1 2 295.383 0.835 20 30 CCEDLO COCCOC[N@H+]1CCC2(CN(C(=O)CCCC#N)C2)C1 ZINC001271253251 814352646 /nfs/dbraw/zinc/35/26/46/814352646.db2.gz YACVDZVTESGXKG-UHFFFAOYSA-N 1 2 295.383 0.835 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2c(C)noc2C)C1 ZINC001271387783 814399612 /nfs/dbraw/zinc/39/96/12/814399612.db2.gz DKMTWLQLTZCZSU-UHFFFAOYSA-N 1 2 293.367 0.573 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2cccc(F)c2)C1 ZINC001271388243 814399988 /nfs/dbraw/zinc/39/99/88/814399988.db2.gz SQFKXPYYUXCMKQ-UHFFFAOYSA-N 1 2 290.338 0.554 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001127052077 815605230 /nfs/dbraw/zinc/60/52/30/815605230.db2.gz QRVZACZLSYYEKP-NXEZZACHSA-N 1 2 280.328 0.183 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029679343 814536099 /nfs/dbraw/zinc/53/60/99/814536099.db2.gz ZQFSYVDPKCIFOO-MNOVXSKESA-N 1 2 293.396 0.978 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029679343 814536105 /nfs/dbraw/zinc/53/61/05/814536105.db2.gz ZQFSYVDPKCIFOO-MNOVXSKESA-N 1 2 293.396 0.978 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C=C(C)C ZINC001271959494 814652519 /nfs/dbraw/zinc/65/25/19/814652519.db2.gz ZXQVDUQVHBVLSE-UHFFFAOYSA-N 1 2 265.357 0.092 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C=C(C)C ZINC001271959494 814652522 /nfs/dbraw/zinc/65/25/22/814652522.db2.gz ZXQVDUQVHBVLSE-UHFFFAOYSA-N 1 2 265.357 0.092 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC001272004248 814698158 /nfs/dbraw/zinc/69/81/58/814698158.db2.gz DCWCRPOVXFCYHR-HNNXBMFYSA-N 1 2 294.399 0.637 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC001272004248 814698163 /nfs/dbraw/zinc/69/81/63/814698163.db2.gz DCWCRPOVXFCYHR-HNNXBMFYSA-N 1 2 294.399 0.637 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H](O)C1 ZINC001083646822 815596248 /nfs/dbraw/zinc/59/62/48/815596248.db2.gz WVIRLBUFGMUYJY-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H](O)C1 ZINC001083646822 815596252 /nfs/dbraw/zinc/59/62/52/815596252.db2.gz WVIRLBUFGMUYJY-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@@H](O)C1 ZINC001083672997 815646044 /nfs/dbraw/zinc/64/60/44/815646044.db2.gz GLTMGFLUCYTIPM-OLZOCXBDSA-N 1 2 274.320 0.176 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@@H](O)C1 ZINC001083672997 815646049 /nfs/dbraw/zinc/64/60/49/815646049.db2.gz GLTMGFLUCYTIPM-OLZOCXBDSA-N 1 2 274.320 0.176 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001077450030 815681478 /nfs/dbraw/zinc/68/14/78/815681478.db2.gz HIIJWGWCXQGCNF-ZIAGYGMSSA-N 1 2 288.347 0.567 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001077450030 815681481 /nfs/dbraw/zinc/68/14/81/815681481.db2.gz HIIJWGWCXQGCNF-ZIAGYGMSSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001030326227 815977395 /nfs/dbraw/zinc/97/73/95/815977395.db2.gz FEZVDUVWDHTRAX-UKRRQHHQSA-N 1 2 298.390 0.588 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001030330050 815978876 /nfs/dbraw/zinc/97/88/76/815978876.db2.gz JRZGNZDWNJLITN-LLVKDONJSA-N 1 2 260.341 0.347 20 30 CCEDLO C#CCCN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030514436 816080852 /nfs/dbraw/zinc/08/08/52/816080852.db2.gz PLOYIEYECDCMCO-UHFFFAOYSA-N 1 2 274.368 0.750 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552836 816104107 /nfs/dbraw/zinc/10/41/07/816104107.db2.gz OBAJLOBZPJMTES-NSHDSACASA-N 1 2 260.341 0.432 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3ncnn32)C1 ZINC001030621068 816155124 /nfs/dbraw/zinc/15/51/24/816155124.db2.gz LDOJDIWMDDNTOC-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001030655440 816186925 /nfs/dbraw/zinc/18/69/25/816186925.db2.gz WPCHHHFGMVHUAX-UHFFFAOYSA-N 1 2 272.312 0.343 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001077485129 816232191 /nfs/dbraw/zinc/23/21/91/816232191.db2.gz CXQZUTKCBJTXCQ-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001077485129 816232194 /nfs/dbraw/zinc/23/21/94/816232194.db2.gz CXQZUTKCBJTXCQ-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cn(CC)nn2)C1 ZINC001030717817 816247038 /nfs/dbraw/zinc/24/70/38/816247038.db2.gz BCPFQALHUQJHOW-UHFFFAOYSA-N 1 2 263.345 0.217 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001030783330 816290474 /nfs/dbraw/zinc/29/04/74/816290474.db2.gz JYLTUZOWRYBNLE-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498116 816298984 /nfs/dbraw/zinc/29/89/84/816298984.db2.gz IBBPXJNURFOFLF-MNOVXSKESA-N 1 2 291.355 0.133 20 30 CCEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001030901006 816410184 /nfs/dbraw/zinc/41/01/84/816410184.db2.gz ZTYSLIMVHJKZBP-LLVKDONJSA-N 1 2 252.358 0.914 20 30 CCEDLO Cc1cnc(C#N)c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001168443520 816479282 /nfs/dbraw/zinc/47/92/82/816479282.db2.gz KJRAEDVWBITAJA-UHFFFAOYSA-N 1 2 273.340 0.933 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001030963011 816510047 /nfs/dbraw/zinc/51/00/47/816510047.db2.gz GRTHEKRPAVLTFC-ZDUSSCGKSA-N 1 2 269.348 0.620 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030979916 816528024 /nfs/dbraw/zinc/52/80/24/816528024.db2.gz XVFNTMGNGGKRKJ-UHTWSYAYSA-N 1 2 268.357 0.413 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 ZINC001077522782 816529837 /nfs/dbraw/zinc/52/98/37/816529837.db2.gz IYHVDPDWWHDQIE-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 ZINC001077522782 816529841 /nfs/dbraw/zinc/52/98/41/816529841.db2.gz IYHVDPDWWHDQIE-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc[nH]n1 ZINC001272539192 816562507 /nfs/dbraw/zinc/56/25/07/816562507.db2.gz VOANJPJNABFCPX-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc[nH]n1 ZINC001272539192 816562515 /nfs/dbraw/zinc/56/25/15/816562515.db2.gz VOANJPJNABFCPX-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC001031030513 816581877 /nfs/dbraw/zinc/58/18/77/816581877.db2.gz DSFVQZFFASXICT-UHFFFAOYSA-N 1 2 260.341 0.730 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](CCCF)C2)nn1 ZINC001031069946 816623452 /nfs/dbraw/zinc/62/34/52/816623452.db2.gz HVPQMODUWZGVPA-UHFFFAOYSA-N 1 2 267.308 0.238 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001031092202 816637894 /nfs/dbraw/zinc/63/78/94/816637894.db2.gz WPONRFMBXJEGGM-OAHLLOKOSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccn3ccnc23)C1 ZINC001031097898 816644334 /nfs/dbraw/zinc/64/43/34/816644334.db2.gz LTBOLDKUPQOSPP-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145466 816698857 /nfs/dbraw/zinc/69/88/57/816698857.db2.gz CJWVBNUNDRKZPG-UHFFFAOYSA-N 1 2 254.721 0.505 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001031219633 816835190 /nfs/dbraw/zinc/83/51/90/816835190.db2.gz KHZHYHMOCPIMDV-OAHLLOKOSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001106790402 816907525 /nfs/dbraw/zinc/90/75/25/816907525.db2.gz YGKSZLGURAJTJW-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001031316569 816970009 /nfs/dbraw/zinc/97/00/09/816970009.db2.gz KTPSKOQOTJGYGK-CYBMUJFWSA-N 1 2 269.348 0.620 20 30 CCEDLO CC#CCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001123637608 816996349 /nfs/dbraw/zinc/99/63/49/816996349.db2.gz IGRDHIHFXNJFTP-ZDUSSCGKSA-N 1 2 266.389 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001031375018 817009769 /nfs/dbraw/zinc/00/97/69/817009769.db2.gz MNBCOFUQRBVHTQ-UHFFFAOYSA-N 1 2 288.351 0.091 20 30 CCEDLO N#Cc1cccc(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001031474519 817071194 /nfs/dbraw/zinc/07/11/94/817071194.db2.gz DFTSXQUMPYKOEC-UHFFFAOYSA-N 1 2 295.346 0.755 20 30 CCEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123798901 817072253 /nfs/dbraw/zinc/07/22/53/817072253.db2.gz DPPINXZYJNYWHW-SECBINFHSA-N 1 2 297.384 0.656 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001031496515 817085966 /nfs/dbraw/zinc/08/59/66/817085966.db2.gz YUVWBFXFOALBDW-LBPRGKRZSA-N 1 2 264.369 0.873 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001031952120 817487524 /nfs/dbraw/zinc/48/75/24/817487524.db2.gz ZDGSFILQTMEULG-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001032179783 817678014 /nfs/dbraw/zinc/67/80/14/817678014.db2.gz CBYZUUZERPCQKN-UHFFFAOYSA-N 1 2 283.335 0.643 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001032196749 817694725 /nfs/dbraw/zinc/69/47/25/817694725.db2.gz BGZWFHGGFAOQOH-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001125247692 817743000 /nfs/dbraw/zinc/74/30/00/817743000.db2.gz FUCDBIORJGSWFM-UHFFFAOYSA-N 1 2 282.344 0.567 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOCC)nn2)C1 ZINC001107144145 817793292 /nfs/dbraw/zinc/79/32/92/817793292.db2.gz FXHQQJUXRZUOPY-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001107239929 817817013 /nfs/dbraw/zinc/81/70/13/817817013.db2.gz BGQQFYZOCPFILJ-UPHRSURJSA-N 1 2 296.334 0.934 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C ZINC001032304422 817821560 /nfs/dbraw/zinc/82/15/60/817821560.db2.gz GOBHIVQOBPMPJJ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C ZINC001032304422 817821567 /nfs/dbraw/zinc/82/15/67/817821567.db2.gz GOBHIVQOBPMPJJ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001077616725 817875866 /nfs/dbraw/zinc/87/58/66/817875866.db2.gz KPUJOMLJRGBVIR-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001077616725 817875872 /nfs/dbraw/zinc/87/58/72/817875872.db2.gz KPUJOMLJRGBVIR-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCO1 ZINC001032350845 817956821 /nfs/dbraw/zinc/95/68/21/817956821.db2.gz RSKHOQOVBZGVQN-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCO1 ZINC001032350845 817956825 /nfs/dbraw/zinc/95/68/25/817956825.db2.gz RSKHOQOVBZGVQN-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)no2)C1 ZINC001107731033 817975251 /nfs/dbraw/zinc/97/52/51/817975251.db2.gz JNPXYXQFVPTAQM-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)no2)C1 ZINC001107731033 817975257 /nfs/dbraw/zinc/97/52/57/817975257.db2.gz JNPXYXQFVPTAQM-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107750521 817985425 /nfs/dbraw/zinc/98/54/25/817985425.db2.gz TVJHYMKRMKHNNC-CQSZACIVSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107750521 817985431 /nfs/dbraw/zinc/98/54/31/817985431.db2.gz TVJHYMKRMKHNNC-CQSZACIVSA-N 1 2 252.358 0.873 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001077687892 817993990 /nfs/dbraw/zinc/99/39/90/817993990.db2.gz YEXRVZLIBXOHGV-HTQZYQBOSA-N 1 2 287.266 0.573 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001077687892 817993995 /nfs/dbraw/zinc/99/39/95/817993995.db2.gz YEXRVZLIBXOHGV-HTQZYQBOSA-N 1 2 287.266 0.573 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107781906 818001209 /nfs/dbraw/zinc/00/12/09/818001209.db2.gz LCTWHAJJBLBWMN-GXTWGEPZSA-N 1 2 268.357 0.252 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107781906 818001216 /nfs/dbraw/zinc/00/12/16/818001216.db2.gz LCTWHAJJBLBWMN-GXTWGEPZSA-N 1 2 268.357 0.252 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829345 818056869 /nfs/dbraw/zinc/05/68/69/818056869.db2.gz FOHHMHALUIDQHW-RYUDHWBXSA-N 1 2 273.340 0.424 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061552 818430254 /nfs/dbraw/zinc/43/02/54/818430254.db2.gz SDZIEXRQNYOELU-VXGBXAGGSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061552 818430260 /nfs/dbraw/zinc/43/02/60/818430260.db2.gz SDZIEXRQNYOELU-VXGBXAGGSA-N 1 2 298.774 0.338 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCn3cccn3)C2)OCC1=O ZINC001273096195 818598919 /nfs/dbraw/zinc/59/89/19/818598919.db2.gz XCMHHXZWPFPKJT-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001033211620 818653463 /nfs/dbraw/zinc/65/34/63/818653463.db2.gz LMTZELKQZCAPEB-LBPRGKRZSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 ZINC001033211620 818653467 /nfs/dbraw/zinc/65/34/67/818653467.db2.gz LMTZELKQZCAPEB-LBPRGKRZSA-N 1 2 286.397 0.140 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751453 818668114 /nfs/dbraw/zinc/66/81/14/818668114.db2.gz TXPKFEXAVRIPEN-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnco2)C1 ZINC001108104626 818710085 /nfs/dbraw/zinc/71/00/85/818710085.db2.gz IOLBUECPTPGEBD-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnco2)C1 ZINC001108104626 818710092 /nfs/dbraw/zinc/71/00/92/818710092.db2.gz IOLBUECPTPGEBD-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034377522 819187579 /nfs/dbraw/zinc/18/75/79/819187579.db2.gz VLRWUKKMNUUHAS-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034377522 819187583 /nfs/dbraw/zinc/18/75/83/819187583.db2.gz VLRWUKKMNUUHAS-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216917 819216031 /nfs/dbraw/zinc/21/60/31/819216031.db2.gz ORIDFEFEXXWEEF-VXGBXAGGSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216917 819216040 /nfs/dbraw/zinc/21/60/40/819216040.db2.gz ORIDFEFEXXWEEF-VXGBXAGGSA-N 1 2 296.758 0.394 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2)C1 ZINC001035260857 819427066 /nfs/dbraw/zinc/42/70/66/819427066.db2.gz QJOBSZMGYAJYDW-CYBMUJFWSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2)C1 ZINC001035260857 819427073 /nfs/dbraw/zinc/42/70/73/819427073.db2.gz QJOBSZMGYAJYDW-CYBMUJFWSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC001035269313 819433097 /nfs/dbraw/zinc/43/30/97/819433097.db2.gz FIDPDRYUMSFQQS-CYBMUJFWSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC001035269313 819433102 /nfs/dbraw/zinc/43/31/02/819433102.db2.gz FIDPDRYUMSFQQS-CYBMUJFWSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccn2C)C1 ZINC001035294156 819439831 /nfs/dbraw/zinc/43/98/31/819439831.db2.gz IUBZRRKBYPSYKT-LBPRGKRZSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccn2C)C1 ZINC001035294156 819439836 /nfs/dbraw/zinc/43/98/36/819439836.db2.gz IUBZRRKBYPSYKT-LBPRGKRZSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035309673 819461611 /nfs/dbraw/zinc/46/16/11/819461611.db2.gz DTDWBVVMGBXRQN-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035309673 819461613 /nfs/dbraw/zinc/46/16/13/819461613.db2.gz DTDWBVVMGBXRQN-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC001035320298 819468802 /nfs/dbraw/zinc/46/88/02/819468802.db2.gz PKEVBEUBZDRDGA-CYBMUJFWSA-N 1 2 250.342 0.956 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC001035320298 819468806 /nfs/dbraw/zinc/46/88/06/819468806.db2.gz PKEVBEUBZDRDGA-CYBMUJFWSA-N 1 2 250.342 0.956 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035349040 819487010 /nfs/dbraw/zinc/48/70/10/819487010.db2.gz CLSVAWRGAQHVRP-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035349040 819487012 /nfs/dbraw/zinc/48/70/12/819487012.db2.gz CLSVAWRGAQHVRP-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001035453406 819520775 /nfs/dbraw/zinc/52/07/75/819520775.db2.gz XAPYLSUXPLXGHD-LJISPDSOSA-N 1 2 294.395 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001035453406 819520776 /nfs/dbraw/zinc/52/07/76/819520776.db2.gz XAPYLSUXPLXGHD-LJISPDSOSA-N 1 2 294.395 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035485622 819535495 /nfs/dbraw/zinc/53/54/95/819535495.db2.gz CXMWNRGBETXOOL-VIFPVBQESA-N 1 2 283.353 0.465 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035485622 819535499 /nfs/dbraw/zinc/53/54/99/819535499.db2.gz CXMWNRGBETXOOL-VIFPVBQESA-N 1 2 283.353 0.465 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C(=O)OC)ncn2)CC1 ZINC000705820436 819561180 /nfs/dbraw/zinc/56/11/80/819561180.db2.gz QGFAPHHIUDOTFV-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001035596652 819572132 /nfs/dbraw/zinc/57/21/32/819572132.db2.gz SSAIYUUBHAYIAJ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001035596652 819572139 /nfs/dbraw/zinc/57/21/39/819572139.db2.gz SSAIYUUBHAYIAJ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO COc1nc(C)c(-n2[nH]c(=O)nc2C[NH3+])c(C)c1C#N ZINC001168761254 819802029 /nfs/dbraw/zinc/80/20/29/819802029.db2.gz NZNSPTZYQLPGRW-UHFFFAOYSA-N 1 2 274.284 0.324 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090361492 820300697 /nfs/dbraw/zinc/30/06/97/820300697.db2.gz PQTGXFWAXASZBX-GXTWGEPZSA-N 1 2 299.334 0.251 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001080772667 820634538 /nfs/dbraw/zinc/63/45/38/820634538.db2.gz CRYJCPXYTRJGDB-JTNHKYCSSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001080772667 820634542 /nfs/dbraw/zinc/63/45/42/820634542.db2.gz CRYJCPXYTRJGDB-JTNHKYCSSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001080772667 820634548 /nfs/dbraw/zinc/63/45/48/820634548.db2.gz CRYJCPXYTRJGDB-JTNHKYCSSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001080772667 820634551 /nfs/dbraw/zinc/63/45/51/820634551.db2.gz CRYJCPXYTRJGDB-JTNHKYCSSA-N 1 2 289.383 0.532 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)[C@H](OC)C1 ZINC001081363895 820747474 /nfs/dbraw/zinc/74/74/74/820747474.db2.gz HFPWMTGPYXDAEZ-VXGBXAGGSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occc2C)[C@H](OC)C1 ZINC001081363895 820747476 /nfs/dbraw/zinc/74/74/76/820747476.db2.gz HFPWMTGPYXDAEZ-VXGBXAGGSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](OC)C1 ZINC001081812519 820844847 /nfs/dbraw/zinc/84/48/47/820844847.db2.gz XVMZERKPFMNEFL-SYQHCUMBSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](OC)C1 ZINC001081812519 820844854 /nfs/dbraw/zinc/84/48/54/820844854.db2.gz XVMZERKPFMNEFL-SYQHCUMBSA-N 1 2 280.368 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001082268235 820923656 /nfs/dbraw/zinc/92/36/56/820923656.db2.gz VZPACHPTHYGOJK-DGCLKSJQSA-N 1 2 292.335 0.741 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001082268235 820923664 /nfs/dbraw/zinc/92/36/64/820923664.db2.gz VZPACHPTHYGOJK-DGCLKSJQSA-N 1 2 292.335 0.741 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@H](OC)C1 ZINC001082277265 820932818 /nfs/dbraw/zinc/93/28/18/820932818.db2.gz ZRBBPFUONVLHKX-UMVBOHGHSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@H](OC)C1 ZINC001082277265 820932822 /nfs/dbraw/zinc/93/28/22/820932822.db2.gz ZRBBPFUONVLHKX-UMVBOHGHSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@H](OC)C1 ZINC001082331380 820936561 /nfs/dbraw/zinc/93/65/61/820936561.db2.gz KWHYGQMGIWHCFH-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@H](OC)C1 ZINC001082331380 820936564 /nfs/dbraw/zinc/93/65/64/820936564.db2.gz KWHYGQMGIWHCFH-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccc3F)[C@H]2C1 ZINC001082982850 821090700 /nfs/dbraw/zinc/09/07/00/821090700.db2.gz KXIQKWHDVUPICJ-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccc3F)[C@H]2C1 ZINC001082982850 821090704 /nfs/dbraw/zinc/09/07/04/821090704.db2.gz KXIQKWHDVUPICJ-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(CC)n3)[C@H]2C1 ZINC001083056982 821128727 /nfs/dbraw/zinc/12/87/27/821128727.db2.gz MUCCTIUZCQHWDG-QWHCGFSZSA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(CC)n3)[C@H]2C1 ZINC001083056982 821128732 /nfs/dbraw/zinc/12/87/32/821128732.db2.gz MUCCTIUZCQHWDG-QWHCGFSZSA-N 1 2 291.351 0.948 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC3(C)C)[C@H]2C1 ZINC001083053794 821129507 /nfs/dbraw/zinc/12/95/07/821129507.db2.gz LYHYAWASZSRFAH-RWMBFGLXSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC3(C)C)[C@H]2C1 ZINC001083053794 821129512 /nfs/dbraw/zinc/12/95/12/821129512.db2.gz LYHYAWASZSRFAH-RWMBFGLXSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3C=CC=CC=C3)[C@H]2C1 ZINC001083095474 821140173 /nfs/dbraw/zinc/14/01/73/821140173.db2.gz IESWRDOUDUQKKY-JKSUJKDBSA-N 1 2 284.359 0.830 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3C=CC=CC=C3)[C@H]2C1 ZINC001083095474 821140176 /nfs/dbraw/zinc/14/01/76/821140176.db2.gz IESWRDOUDUQKKY-JKSUJKDBSA-N 1 2 284.359 0.830 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](O)C1 ZINC001083939361 821160643 /nfs/dbraw/zinc/16/06/43/821160643.db2.gz CXPFPOWSAZGWJO-NEPJUHHUSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](O)C1 ZINC001083939361 821160650 /nfs/dbraw/zinc/16/06/50/821160650.db2.gz CXPFPOWSAZGWJO-NEPJUHHUSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3[nH]ccc3s2)[C@@H](O)C1 ZINC001083999446 821171049 /nfs/dbraw/zinc/17/10/49/821171049.db2.gz QAUHPODXNDYCTO-MNOVXSKESA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3[nH]ccc3s2)[C@@H](O)C1 ZINC001083999446 821171054 /nfs/dbraw/zinc/17/10/54/821171054.db2.gz QAUHPODXNDYCTO-MNOVXSKESA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC)[C@@H](O)C1 ZINC001084014213 821183782 /nfs/dbraw/zinc/18/37/82/821183782.db2.gz GLUBEBJXKZHRJM-KGLIPLIRSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC)[C@@H](O)C1 ZINC001084014213 821183787 /nfs/dbraw/zinc/18/37/87/821183787.db2.gz GLUBEBJXKZHRJM-KGLIPLIRSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)[C@@H](O)C1 ZINC001084111473 821201069 /nfs/dbraw/zinc/20/10/69/821201069.db2.gz JCTNRNRVBWWDDB-PWSUYJOCSA-N 1 2 291.376 0.429 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)[C@@H](O)C1 ZINC001084111473 821201085 /nfs/dbraw/zinc/20/10/85/821201085.db2.gz JCTNRNRVBWWDDB-PWSUYJOCSA-N 1 2 291.376 0.429 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084375318 821279552 /nfs/dbraw/zinc/27/95/52/821279552.db2.gz DMJXXBDLMJTNJP-VXGBXAGGSA-N 1 2 295.774 0.563 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084375318 821279560 /nfs/dbraw/zinc/27/95/60/821279560.db2.gz DMJXXBDLMJTNJP-VXGBXAGGSA-N 1 2 295.774 0.563 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001084497083 821303565 /nfs/dbraw/zinc/30/35/65/821303565.db2.gz ATVZMYSOWIJUAR-JHJVBQTASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001084497083 821303573 /nfs/dbraw/zinc/30/35/73/821303573.db2.gz ATVZMYSOWIJUAR-JHJVBQTASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001084574587 821322378 /nfs/dbraw/zinc/32/23/78/821322378.db2.gz DSUGUFUUWLPZLZ-IJLUTSLNSA-N 1 2 279.384 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001084574587 821322385 /nfs/dbraw/zinc/32/23/85/821322385.db2.gz DSUGUFUUWLPZLZ-IJLUTSLNSA-N 1 2 279.384 0.605 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000712277876 821489005 /nfs/dbraw/zinc/48/90/05/821489005.db2.gz VNYVQYUDFHHNJI-LBPRGKRZSA-N 1 2 294.380 0.634 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000712277876 821489006 /nfs/dbraw/zinc/48/90/06/821489006.db2.gz VNYVQYUDFHHNJI-LBPRGKRZSA-N 1 2 294.380 0.634 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374925 821672975 /nfs/dbraw/zinc/67/29/75/821672975.db2.gz QNIGTXGDKGHQBL-GHMZBOCLSA-N 1 2 261.329 0.493 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001085529115 821768873 /nfs/dbraw/zinc/76/88/73/821768873.db2.gz PJKYXQFKJOYYHX-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001085529115 821768878 /nfs/dbraw/zinc/76/88/78/821768878.db2.gz PJKYXQFKJOYYHX-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001085552353 821787637 /nfs/dbraw/zinc/78/76/37/821787637.db2.gz AVAJGVSKJTUFJS-LBPRGKRZSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001085552353 821787641 /nfs/dbraw/zinc/78/76/41/821787641.db2.gz AVAJGVSKJTUFJS-LBPRGKRZSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085583576 821823814 /nfs/dbraw/zinc/82/38/14/821823814.db2.gz LZRQAOGZFLVAFC-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085583576 821823820 /nfs/dbraw/zinc/82/38/20/821823820.db2.gz LZRQAOGZFLVAFC-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085659842 821882501 /nfs/dbraw/zinc/88/25/01/821882501.db2.gz FXFIAIQTNPLWRJ-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085659842 821882511 /nfs/dbraw/zinc/88/25/11/821882511.db2.gz FXFIAIQTNPLWRJ-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCN1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684933 821899002 /nfs/dbraw/zinc/89/90/02/821899002.db2.gz FMNBUXUABZZLLT-GFCCVEGCSA-N 1 2 290.367 0.516 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CCOC)n1 ZINC001085715608 821916007 /nfs/dbraw/zinc/91/60/07/821916007.db2.gz OTQYPDNZVKANDO-ZDUSSCGKSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CCOC)n1 ZINC001085715608 821916013 /nfs/dbraw/zinc/91/60/13/821916013.db2.gz OTQYPDNZVKANDO-ZDUSSCGKSA-N 1 2 290.367 0.309 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]nc1C ZINC001085758990 821937321 /nfs/dbraw/zinc/93/73/21/821937321.db2.gz WBQMJSPFWNDVAU-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]nc1C ZINC001085758990 821937326 /nfs/dbraw/zinc/93/73/26/821937326.db2.gz WBQMJSPFWNDVAU-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085856829 821982017 /nfs/dbraw/zinc/98/20/17/821982017.db2.gz JTKIGHUXDPLGMV-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085856829 821982023 /nfs/dbraw/zinc/98/20/23/821982023.db2.gz JTKIGHUXDPLGMV-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855974 821983777 /nfs/dbraw/zinc/98/37/77/821983777.db2.gz NVTJLQIHPHFKDE-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855974 821983783 /nfs/dbraw/zinc/98/37/83/821983783.db2.gz NVTJLQIHPHFKDE-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001155708028 822236252 /nfs/dbraw/zinc/23/62/52/822236252.db2.gz YQCVYNWTALIXGL-SNVBAGLBSA-N 1 2 282.344 0.738 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCC#N)C1 ZINC001086482174 822273895 /nfs/dbraw/zinc/27/38/95/822273895.db2.gz RQAKWRLVRDVPFX-FDYHWXHSSA-N 1 2 287.367 0.532 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2nc(CO)cs2)CC1 ZINC001183498432 844025919 /nfs/dbraw/zinc/02/59/19/844025919.db2.gz FVSJSVQBGCNJHL-UHFFFAOYSA-N 1 2 266.366 0.986 20 30 CCEDLO C[NH+]1CC(NC(=O)[C@@H](C#N)Cc2ccc(O)cc2)C1 ZINC001183616023 844058559 /nfs/dbraw/zinc/05/85/59/844058559.db2.gz KIIHHSMTBFZHBS-LLVKDONJSA-N 1 2 259.309 0.505 20 30 CCEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001108430162 836077243 /nfs/dbraw/zinc/07/72/43/836077243.db2.gz XCIDQLHHOPCGKG-HNNXBMFYSA-N 1 2 282.384 0.972 20 30 CCEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108430162 836077251 /nfs/dbraw/zinc/07/72/51/836077251.db2.gz XCIDQLHHOPCGKG-HNNXBMFYSA-N 1 2 282.384 0.972 20 30 CCEDLO CSc1nc(=NOCC[NH3+])c(C=NO)c(Cl)[nH]1 ZINC001156291392 836193882 /nfs/dbraw/zinc/19/38/82/836193882.db2.gz BKIDREIJCBSQPT-NYYWCZLTSA-N 1 2 277.737 0.962 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC(=C)C)C2)C1 ZINC001108520270 836403698 /nfs/dbraw/zinc/40/36/98/836403698.db2.gz RJHQMZXZDFAGDB-CYBMUJFWSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C#CC(C)C)CC2=O)C1 ZINC001108542592 836434548 /nfs/dbraw/zinc/43/45/48/836434548.db2.gz IYLQMCHKYDSQOB-ZDUSSCGKSA-N 1 2 289.379 0.233 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109079745 836611814 /nfs/dbraw/zinc/61/18/14/836611814.db2.gz ADZDULYZZBXKMT-NDBYEHHHSA-N 1 2 292.383 0.392 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109079745 836611822 /nfs/dbraw/zinc/61/18/22/836611822.db2.gz ADZDULYZZBXKMT-NDBYEHHHSA-N 1 2 292.383 0.392 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078215 836613410 /nfs/dbraw/zinc/61/34/10/836613410.db2.gz HEBHTPDKGVXWON-RNJOBUHISA-N 1 2 292.383 0.346 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078215 836613415 /nfs/dbraw/zinc/61/34/15/836613415.db2.gz HEBHTPDKGVXWON-RNJOBUHISA-N 1 2 292.383 0.346 20 30 CCEDLO CCCC#CC(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001184270718 844182914 /nfs/dbraw/zinc/18/29/14/844182914.db2.gz ZXGIIFCEQCNAED-NSHDSACASA-N 1 2 252.314 0.106 20 30 CCEDLO CCCC#CC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001184270718 844182921 /nfs/dbraw/zinc/18/29/21/844182921.db2.gz ZXGIIFCEQCNAED-NSHDSACASA-N 1 2 252.314 0.106 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109614458 836704310 /nfs/dbraw/zinc/70/43/10/836704310.db2.gz BBASUSAOTVLGMZ-WOPDTQHZSA-N 1 2 296.346 0.097 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109614458 836704316 /nfs/dbraw/zinc/70/43/16/836704316.db2.gz BBASUSAOTVLGMZ-WOPDTQHZSA-N 1 2 296.346 0.097 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001112821128 836927855 /nfs/dbraw/zinc/92/78/55/836927855.db2.gz LXCGUKGHMRBIMI-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC001112833204 836931688 /nfs/dbraw/zinc/93/16/88/836931688.db2.gz MJJJHMOCBLWKHK-UHFFFAOYSA-N 1 2 264.369 0.993 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC001113063649 837014621 /nfs/dbraw/zinc/01/46/21/837014621.db2.gz LGVSLLYDLZQKPH-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113154721 837041051 /nfs/dbraw/zinc/04/10/51/837041051.db2.gz IMZQWUZWTNAIBY-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC001113315616 837087627 /nfs/dbraw/zinc/08/76/27/837087627.db2.gz LIWKETOOYQNAES-HNNXBMFYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001113436409 837116971 /nfs/dbraw/zinc/11/69/71/837116971.db2.gz HXJKDDUDVWYUPZ-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 ZINC001113641900 837184852 /nfs/dbraw/zinc/18/48/52/837184852.db2.gz SLCOAEMAWNPNKW-CYBMUJFWSA-N 1 2 279.384 0.316 20 30 CCEDLO CON1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001170264582 837278066 /nfs/dbraw/zinc/27/80/66/837278066.db2.gz RBDOFXSSNIDQMR-CQSZACIVSA-N 1 2 261.325 0.771 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090466338 837287851 /nfs/dbraw/zinc/28/78/51/837287851.db2.gz JVSNZKYXMWHXMH-VHSXEESVSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090466338 837287860 /nfs/dbraw/zinc/28/78/60/837287860.db2.gz JVSNZKYXMWHXMH-VHSXEESVSA-N 1 2 285.731 0.592 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1CNCC#N ZINC001184901190 844307213 /nfs/dbraw/zinc/30/72/13/844307213.db2.gz BDEPGFSDYSOHNT-KGLIPLIRSA-N 1 2 289.383 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)CC[C@H]1C ZINC001131955060 838277275 /nfs/dbraw/zinc/27/72/75/838277275.db2.gz HXPKKDRNRJLGSY-VXGBXAGGSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)CC[C@H]1C ZINC001131955060 838277282 /nfs/dbraw/zinc/27/72/82/838277282.db2.gz HXPKKDRNRJLGSY-VXGBXAGGSA-N 1 2 275.356 0.340 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033425 838302313 /nfs/dbraw/zinc/30/23/13/838302313.db2.gz GBNYEZKKFLXCNJ-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033425 838302316 /nfs/dbraw/zinc/30/23/16/838302316.db2.gz GBNYEZKKFLXCNJ-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132047005 838309329 /nfs/dbraw/zinc/30/93/29/838309329.db2.gz SMLAYXWKYVYPEA-YPMHNXCESA-N 1 2 277.368 0.115 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132047005 838309336 /nfs/dbraw/zinc/30/93/36/838309336.db2.gz SMLAYXWKYVYPEA-YPMHNXCESA-N 1 2 277.368 0.115 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C ZINC001132253458 838351120 /nfs/dbraw/zinc/35/11/20/838351120.db2.gz UOVWVZOPQBGQQK-QWRGUYRKSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C ZINC001132253458 838351128 /nfs/dbraw/zinc/35/11/28/838351128.db2.gz UOVWVZOPQBGQQK-QWRGUYRKSA-N 1 2 299.802 0.974 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001132369490 838374611 /nfs/dbraw/zinc/37/46/11/838374611.db2.gz XZIMTWNIBLAHMR-NEPJUHHUSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001132369490 838374617 /nfs/dbraw/zinc/37/46/17/838374617.db2.gz XZIMTWNIBLAHMR-NEPJUHHUSA-N 1 2 293.371 0.590 20 30 CCEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001133369189 838611980 /nfs/dbraw/zinc/61/19/80/838611980.db2.gz QTYVXSRXPHLDFJ-UHFFFAOYSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110366501 844444129 /nfs/dbraw/zinc/44/41/29/844444129.db2.gz UGCRTDWSUXUYMH-LOWDOPEQSA-N 1 2 295.383 0.174 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110366501 844444131 /nfs/dbraw/zinc/44/41/31/844444131.db2.gz UGCRTDWSUXUYMH-LOWDOPEQSA-N 1 2 295.383 0.174 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090631712 839688818 /nfs/dbraw/zinc/68/88/18/839688818.db2.gz WKYAKBIBQICJQC-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090631712 839688821 /nfs/dbraw/zinc/68/88/21/839688821.db2.gz WKYAKBIBQICJQC-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO C=CC[C@H](C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144025801 839917176 /nfs/dbraw/zinc/91/71/76/839917176.db2.gz BCHBAGJZSOADBY-JQWIXIFHSA-N 1 2 279.340 0.833 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cn1)C1CCS(=O)(=O)CC1 ZINC001144163372 839966620 /nfs/dbraw/zinc/96/66/20/839966620.db2.gz DUHCITWPONYBQG-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cn1)C1CCS(=O)(=O)CC1 ZINC001144163372 839966621 /nfs/dbraw/zinc/96/66/21/839966621.db2.gz DUHCITWPONYBQG-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186047251 844495763 /nfs/dbraw/zinc/49/57/63/844495763.db2.gz JABFBURAUNCDTH-LLVKDONJSA-N 1 2 274.324 0.605 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186047251 844495768 /nfs/dbraw/zinc/49/57/68/844495768.db2.gz JABFBURAUNCDTH-LLVKDONJSA-N 1 2 274.324 0.605 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(NCC#N)C1 ZINC001091239969 840153638 /nfs/dbraw/zinc/15/36/38/840153638.db2.gz RQAKWRLVRDVPFX-FIYWTHMPSA-N 1 2 287.367 0.532 20 30 CCEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1C[NH+](C)C1 ZINC001146229595 840277283 /nfs/dbraw/zinc/27/72/83/840277283.db2.gz DPECNWNGPLALFL-MEBBXXQBSA-N 1 2 295.383 0.886 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C2=C[S@@](=O)CCC2)CC1 ZINC001147291340 840550424 /nfs/dbraw/zinc/55/04/24/840550424.db2.gz RGKXOEMINSKQFP-IBGZPJMESA-N 1 2 280.393 0.580 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C2=C[S@@](=O)CCC2)CC1 ZINC001147291340 840550431 /nfs/dbraw/zinc/55/04/31/840550431.db2.gz RGKXOEMINSKQFP-IBGZPJMESA-N 1 2 280.393 0.580 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(CC)o2)cn1 ZINC001148383089 840798682 /nfs/dbraw/zinc/79/86/82/840798682.db2.gz ROQDEGTWKGCMAQ-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734108 841151013 /nfs/dbraw/zinc/15/10/13/841151013.db2.gz MVBAVWFGJUPYJL-JSGCOSHPSA-N 1 2 287.367 0.789 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093529428 841314158 /nfs/dbraw/zinc/31/41/58/841314158.db2.gz YGOYQQOJUYCBGN-QMMMGPOBSA-N 1 2 273.300 0.051 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830659 841336845 /nfs/dbraw/zinc/33/68/45/841336845.db2.gz YVPJFHNMAWNDQW-AAEUAGOBSA-N 1 2 273.340 0.399 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001093581997 841349576 /nfs/dbraw/zinc/34/95/76/841349576.db2.gz HFTQJUULWVTGEN-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001094167598 841552139 /nfs/dbraw/zinc/55/21/39/841552139.db2.gz ITZPDNMKHLVRMV-NSHDSACASA-N 1 2 299.338 0.724 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ccoc3)nn2)C1 ZINC001094275862 841581503 /nfs/dbraw/zinc/58/15/03/841581503.db2.gz UDMLBNMDOUDJBO-UHFFFAOYSA-N 1 2 299.334 0.681 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCCNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001094341759 841610650 /nfs/dbraw/zinc/61/06/50/841610650.db2.gz CWQLEHZJVAIHIV-VIFPVBQESA-N 1 2 291.359 0.324 20 30 CCEDLO CC1(C#N)CCC([NH2+]Cc2noc(C(N)=O)n2)CC1 ZINC001173588896 842114589 /nfs/dbraw/zinc/11/45/89/842114589.db2.gz MGRFLPODIOQCCQ-UHFFFAOYSA-N 1 2 263.301 0.731 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCC1 ZINC001176379759 842360265 /nfs/dbraw/zinc/36/02/65/842360265.db2.gz HXWAZGLOKCLRIY-GFCCVEGCSA-N 1 2 289.339 0.267 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCC1 ZINC001176379759 842360276 /nfs/dbraw/zinc/36/02/76/842360276.db2.gz HXWAZGLOKCLRIY-GFCCVEGCSA-N 1 2 289.339 0.267 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177020038 842485615 /nfs/dbraw/zinc/48/56/15/842485615.db2.gz VIVKLCXOAAJCLO-CABCVRRESA-N 1 2 294.395 0.330 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177020038 842485619 /nfs/dbraw/zinc/48/56/19/842485619.db2.gz VIVKLCXOAAJCLO-CABCVRRESA-N 1 2 294.395 0.330 20 30 CCEDLO C=CCCOCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001177264353 842539480 /nfs/dbraw/zinc/53/94/80/842539480.db2.gz DKZIXZHEDSJZIZ-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COc2ccccn2)CC1 ZINC001177636382 842643166 /nfs/dbraw/zinc/64/31/66/842643166.db2.gz SFJQSHCDSGIKNT-UHFFFAOYSA-N 1 2 261.325 0.791 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)C#Cc2cccnc2)[nH+]1 ZINC001177781035 842676249 /nfs/dbraw/zinc/67/62/49/842676249.db2.gz HIZAPSZMVYRRPE-UHFFFAOYSA-N 1 2 254.293 0.824 20 30 CCEDLO O=C(C#Cc1ccccn1)N1CCc2[nH+]ccn2CC1 ZINC001177801606 842680839 /nfs/dbraw/zinc/68/08/39/842680839.db2.gz BSPKWNHMPLKLTR-UHFFFAOYSA-N 1 2 266.304 0.715 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C#N)Cc2cccs2)C1 ZINC001177917964 842709228 /nfs/dbraw/zinc/70/92/28/842709228.db2.gz YJRYRXFRQSIHLZ-VXGBXAGGSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C#N)Cc2cccs2)C1 ZINC001177917964 842709236 /nfs/dbraw/zinc/70/92/36/842709236.db2.gz YJRYRXFRQSIHLZ-VXGBXAGGSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C#N)Cc2cccs2)C1 ZINC001177917962 842709583 /nfs/dbraw/zinc/70/95/83/842709583.db2.gz YJRYRXFRQSIHLZ-NWDGAFQWSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H](C#N)Cc2cccs2)C1 ZINC001177917962 842709593 /nfs/dbraw/zinc/70/95/93/842709593.db2.gz YJRYRXFRQSIHLZ-NWDGAFQWSA-N 1 2 293.392 0.877 20 30 CCEDLO N#CNC(=NC(=O)CCc1[nH]cc[nH+]1)c1ccncc1 ZINC001177998584 842720055 /nfs/dbraw/zinc/72/00/55/842720055.db2.gz VVTQVLFURCHRFG-UHFFFAOYSA-N 1 2 268.280 0.781 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110221129 842873972 /nfs/dbraw/zinc/87/39/72/842873972.db2.gz LAKBXDMHAPLESU-MXWKQRLJSA-N 1 2 272.295 0.623 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110221129 842873974 /nfs/dbraw/zinc/87/39/74/842873974.db2.gz LAKBXDMHAPLESU-MXWKQRLJSA-N 1 2 272.295 0.623 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001179896827 843072254 /nfs/dbraw/zinc/07/22/54/843072254.db2.gz VALOSLHBICVMSM-LLVKDONJSA-N 1 2 299.338 0.415 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3cccc(C#N)c32)C1 ZINC001180757007 843280926 /nfs/dbraw/zinc/28/09/26/843280926.db2.gz PMEGCSCIRCLZOS-LLVKDONJSA-N 1 2 285.307 0.704 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3cccc(C#N)c32)C1 ZINC001180757007 843280937 /nfs/dbraw/zinc/28/09/37/843280937.db2.gz PMEGCSCIRCLZOS-LLVKDONJSA-N 1 2 285.307 0.704 20 30 CCEDLO C#CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001180762487 843294503 /nfs/dbraw/zinc/29/45/03/843294503.db2.gz MSHKTJLWENZMPW-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001180762487 843294513 /nfs/dbraw/zinc/29/45/13/843294513.db2.gz MSHKTJLWENZMPW-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)N2CCCC2=O)CC1 ZINC001181293783 843444817 /nfs/dbraw/zinc/44/48/17/843444817.db2.gz MFQDQFVZXBKZAQ-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001181617935 843556834 /nfs/dbraw/zinc/55/68/34/843556834.db2.gz IFUUNAHHCNGXBC-WDEREUQCSA-N 1 2 296.396 0.992 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182215416 843756906 /nfs/dbraw/zinc/75/69/06/843756906.db2.gz TYZNYGGWEKSWCF-ZWNOBZJWSA-N 1 2 296.396 0.556 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2NC(=O)c3ccccc32)CC1 ZINC001182418620 843820156 /nfs/dbraw/zinc/82/01/56/843820156.db2.gz JUWIJPFDMDYUCE-AWEZNQCLSA-N 1 2 285.347 0.801 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001187295818 844700811 /nfs/dbraw/zinc/70/08/11/844700811.db2.gz GPRUJYBFYRPRHV-GXTWGEPZSA-N 1 2 291.351 0.910 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001187295818 844700815 /nfs/dbraw/zinc/70/08/15/844700815.db2.gz GPRUJYBFYRPRHV-GXTWGEPZSA-N 1 2 291.351 0.910 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189380941 845119499 /nfs/dbraw/zinc/11/94/99/845119499.db2.gz TUBPGPSMTZIYMH-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189380941 845119501 /nfs/dbraw/zinc/11/95/01/845119501.db2.gz TUBPGPSMTZIYMH-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001190880193 845534626 /nfs/dbraw/zinc/53/46/26/845534626.db2.gz FABHXRIOAMLPPE-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001190880193 845534638 /nfs/dbraw/zinc/53/46/38/845534638.db2.gz FABHXRIOAMLPPE-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191854009 845740513 /nfs/dbraw/zinc/74/05/13/845740513.db2.gz JOXIBBGLOGZTFI-BZHVJNSISA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191854009 845740516 /nfs/dbraw/zinc/74/05/16/845740516.db2.gz JOXIBBGLOGZTFI-BZHVJNSISA-N 1 2 292.339 0.112 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273656052 846038707 /nfs/dbraw/zinc/03/87/07/846038707.db2.gz UCAZYMWZRWRPGS-ZDUSSCGKSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001193337637 846055866 /nfs/dbraw/zinc/05/58/66/846055866.db2.gz WCMKKSAHUDLWJW-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001193337637 846055876 /nfs/dbraw/zinc/05/58/76/846055876.db2.gz WCMKKSAHUDLWJW-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CCOC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001194291067 846269005 /nfs/dbraw/zinc/26/90/05/846269005.db2.gz UBGSHXYRROKXNH-UHFFFAOYSA-N 1 2 280.328 0.950 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)NC(C)=O)CO2 ZINC001273676373 846287170 /nfs/dbraw/zinc/28/71/70/846287170.db2.gz UVTAKFRERZXILT-YPMHNXCESA-N 1 2 295.383 0.047 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001195246533 846485102 /nfs/dbraw/zinc/48/51/02/846485102.db2.gz NLGZCDKTTCQBSW-VXGBXAGGSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001195246533 846485109 /nfs/dbraw/zinc/48/51/09/846485109.db2.gz NLGZCDKTTCQBSW-VXGBXAGGSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001195337697 846508206 /nfs/dbraw/zinc/50/82/06/846508206.db2.gz GAKTZBRODABAER-VXGBXAGGSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001195337697 846508211 /nfs/dbraw/zinc/50/82/11/846508211.db2.gz GAKTZBRODABAER-VXGBXAGGSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001195833550 846635427 /nfs/dbraw/zinc/63/54/27/846635427.db2.gz GTUGPSPQANIMMM-IVZWLZJFSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001195833550 846635429 /nfs/dbraw/zinc/63/54/29/846635429.db2.gz GTUGPSPQANIMMM-IVZWLZJFSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196771131 846803146 /nfs/dbraw/zinc/80/31/46/846803146.db2.gz SOQQOANCIWGLDH-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196771131 846803149 /nfs/dbraw/zinc/80/31/49/846803149.db2.gz SOQQOANCIWGLDH-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO Cc1ccnc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC001198037260 847034534 /nfs/dbraw/zinc/03/45/34/847034534.db2.gz RWDZCAFRCCGWJB-UHFFFAOYSA-N 1 2 294.380 0.656 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001198324651 847086864 /nfs/dbraw/zinc/08/68/64/847086864.db2.gz VQMKYFOCTSATTH-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001198324651 847086875 /nfs/dbraw/zinc/08/68/75/847086875.db2.gz VQMKYFOCTSATTH-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001198945080 847202113 /nfs/dbraw/zinc/20/21/13/847202113.db2.gz UXRRTEOITJYDOY-HUUCEWRRSA-N 1 2 290.338 0.559 20 30 CCEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001198945080 847202126 /nfs/dbraw/zinc/20/21/26/847202126.db2.gz UXRRTEOITJYDOY-HUUCEWRRSA-N 1 2 290.338 0.559 20 30 CCEDLO CN(C)c1cc[nH+]cc1C(=O)Nc1nc[nH]c1C#N ZINC001199349214 847293978 /nfs/dbraw/zinc/29/39/78/847293978.db2.gz LVLONUPUMVXXFX-UHFFFAOYSA-N 1 2 256.269 0.995 20 30 CCEDLO C#CCN1CCC2(CC[NH+](Cc3nncn3C)CC2)C1=O ZINC001273822595 847606784 /nfs/dbraw/zinc/60/67/84/847606784.db2.gz SHTUMDAUIZFLIV-UHFFFAOYSA-N 1 2 287.367 0.263 20 30 CCEDLO CC(C)[C@H](O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273894332 847779675 /nfs/dbraw/zinc/77/96/75/847779675.db2.gz JWAYWDFOEQLARU-CYBMUJFWSA-N 1 2 295.383 0.220 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273949830 847912881 /nfs/dbraw/zinc/91/28/81/847912881.db2.gz AXGYJEKAGBDGFS-OAHLLOKOSA-N 1 2 278.352 0.150 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273949830 847912892 /nfs/dbraw/zinc/91/28/92/847912892.db2.gz AXGYJEKAGBDGFS-OAHLLOKOSA-N 1 2 278.352 0.150 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496906 848010741 /nfs/dbraw/zinc/01/07/41/848010741.db2.gz KOCNOVQSYMMWLS-MCIONIFRSA-N 1 2 287.367 0.908 20 30 CCEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274031998 848309772 /nfs/dbraw/zinc/30/97/72/848309772.db2.gz DHFQQEFMHURCSS-YNEHKIRRSA-N 1 2 290.367 0.244 20 30 CCEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274031998 848309776 /nfs/dbraw/zinc/30/97/76/848309776.db2.gz DHFQQEFMHURCSS-YNEHKIRRSA-N 1 2 290.367 0.244 20 30 CCEDLO N#CCC[N@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001274032592 848313700 /nfs/dbraw/zinc/31/37/00/848313700.db2.gz STEKRTQHZQYLEU-CYBMUJFWSA-N 1 2 287.310 0.716 20 30 CCEDLO N#CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001274032592 848313709 /nfs/dbraw/zinc/31/37/09/848313709.db2.gz STEKRTQHZQYLEU-CYBMUJFWSA-N 1 2 287.310 0.716 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355324 848458130 /nfs/dbraw/zinc/45/81/30/848458130.db2.gz DUUXBRKAHQTPSW-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355324 848458133 /nfs/dbraw/zinc/45/81/33/848458133.db2.gz DUUXBRKAHQTPSW-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C)cn1 ZINC001274441493 848477555 /nfs/dbraw/zinc/47/75/55/848477555.db2.gz CWKBIKFSOSYSIU-ZIAGYGMSSA-N 1 2 284.363 0.984 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C)cn1 ZINC001274441493 848477563 /nfs/dbraw/zinc/47/75/63/848477563.db2.gz CWKBIKFSOSYSIU-ZIAGYGMSSA-N 1 2 284.363 0.984 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)C#CC(C)C)C1 ZINC001276044155 848908619 /nfs/dbraw/zinc/90/86/19/848908619.db2.gz NXKLCICVSTXMHY-ZDUSSCGKSA-N 1 2 282.384 0.234 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001095617364 848999817 /nfs/dbraw/zinc/99/98/17/848999817.db2.gz DPAWOIVBAQTBQZ-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110899707 849018558 /nfs/dbraw/zinc/01/85/58/849018558.db2.gz NIDFUCUBEZUWIO-VJTDZRGJSA-N 1 2 291.395 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110899707 849018561 /nfs/dbraw/zinc/01/85/61/849018561.db2.gz NIDFUCUBEZUWIO-VJTDZRGJSA-N 1 2 291.395 0.666 20 30 CCEDLO N#CC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000932895953 849054832 /nfs/dbraw/zinc/05/48/32/849054832.db2.gz VMFVSTLLIYOWHT-CBAPKCEASA-N 1 2 287.245 0.952 20 30 CCEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111307792 849162193 /nfs/dbraw/zinc/16/21/93/849162193.db2.gz XQWRLSKEEZMEHC-UTUOFQBUSA-N 1 2 292.383 0.394 20 30 CCEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111307792 849162198 /nfs/dbraw/zinc/16/21/98/849162198.db2.gz XQWRLSKEEZMEHC-UTUOFQBUSA-N 1 2 292.383 0.394 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114673068 849356512 /nfs/dbraw/zinc/35/65/12/849356512.db2.gz ZYLWXLWNJFBJJY-ITGUQSILSA-N 1 2 289.383 0.574 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114673068 849356525 /nfs/dbraw/zinc/35/65/25/849356525.db2.gz ZYLWXLWNJFBJJY-ITGUQSILSA-N 1 2 289.383 0.574 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114686738 849362844 /nfs/dbraw/zinc/36/28/44/849362844.db2.gz QWLAFEQWCLUIFU-GDNZZTSVSA-N 1 2 276.340 0.828 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114686738 849362854 /nfs/dbraw/zinc/36/28/54/849362854.db2.gz QWLAFEQWCLUIFU-GDNZZTSVSA-N 1 2 276.340 0.828 20 30 CCEDLO CCCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276343896 849433740 /nfs/dbraw/zinc/43/37/40/849433740.db2.gz ZRSGPDLSXLBTRT-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038637782 849765319 /nfs/dbraw/zinc/76/53/19/849765319.db2.gz DSUNRIOACXFQFP-NEPJUHHUSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038637782 849765323 /nfs/dbraw/zinc/76/53/23/849765323.db2.gz DSUNRIOACXFQFP-NEPJUHHUSA-N 1 2 289.383 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001038217289 849820593 /nfs/dbraw/zinc/82/05/93/849820593.db2.gz NMWAFUBXLOMVGN-OLZOCXBDSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001038217289 849820599 /nfs/dbraw/zinc/82/05/99/849820599.db2.gz NMWAFUBXLOMVGN-OLZOCXBDSA-N 1 2 250.342 0.627 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279637 849836487 /nfs/dbraw/zinc/83/64/87/849836487.db2.gz HBNVHSIMUNZBDM-JTQLQIEISA-N 1 2 278.360 0.418 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279637 849836491 /nfs/dbraw/zinc/83/64/91/849836491.db2.gz HBNVHSIMUNZBDM-JTQLQIEISA-N 1 2 278.360 0.418 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001038303912 849843843 /nfs/dbraw/zinc/84/38/43/849843843.db2.gz DWEFZFFNZXFBFT-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001038303912 849843852 /nfs/dbraw/zinc/84/38/52/849843852.db2.gz DWEFZFFNZXFBFT-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038324672 849851972 /nfs/dbraw/zinc/85/19/72/849851972.db2.gz CVMZXUGBWXHGCG-GFCCVEGCSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038324672 849851976 /nfs/dbraw/zinc/85/19/76/849851976.db2.gz CVMZXUGBWXHGCG-GFCCVEGCSA-N 1 2 283.335 0.704 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nnn1CC ZINC001038337437 849855454 /nfs/dbraw/zinc/85/54/54/849855454.db2.gz FPDTUNSBBATNSM-LBPRGKRZSA-N 1 2 275.356 0.434 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nnn1CC ZINC001038337437 849855466 /nfs/dbraw/zinc/85/54/66/849855466.db2.gz FPDTUNSBBATNSM-LBPRGKRZSA-N 1 2 275.356 0.434 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001038350742 849861652 /nfs/dbraw/zinc/86/16/52/849861652.db2.gz NQQPABLPUNGOLQ-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001038350742 849861660 /nfs/dbraw/zinc/86/16/60/849861660.db2.gz NQQPABLPUNGOLQ-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001038364182 849864101 /nfs/dbraw/zinc/86/41/01/849864101.db2.gz ROBKTRQOOWJYSH-KGLIPLIRSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001038364182 849864088 /nfs/dbraw/zinc/86/40/88/849864088.db2.gz ROBKTRQOOWJYSH-KGLIPLIRSA-N 1 2 299.378 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038423773 849889900 /nfs/dbraw/zinc/88/99/00/849889900.db2.gz FORXEWWSPSEYEX-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038423773 849889908 /nfs/dbraw/zinc/88/99/08/849889908.db2.gz FORXEWWSPSEYEX-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038420174 849890077 /nfs/dbraw/zinc/89/00/77/849890077.db2.gz YMIQKVXDPSDZPU-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038420174 849890080 /nfs/dbraw/zinc/89/00/80/849890080.db2.gz YMIQKVXDPSDZPU-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)NC)cc1 ZINC001038580894 849949128 /nfs/dbraw/zinc/94/91/28/849949128.db2.gz FBCNXGOBDXTFSF-DOMZBBRYSA-N 1 2 299.374 0.607 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NC)cc1 ZINC001038580894 849949135 /nfs/dbraw/zinc/94/91/35/849949135.db2.gz FBCNXGOBDXTFSF-DOMZBBRYSA-N 1 2 299.374 0.607 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1OC ZINC001038655834 849971366 /nfs/dbraw/zinc/97/13/66/849971366.db2.gz CPSVDNFVFBZBJH-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1OC ZINC001038655834 849971375 /nfs/dbraw/zinc/97/13/75/849971375.db2.gz CPSVDNFVFBZBJH-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001038761037 850005973 /nfs/dbraw/zinc/00/59/73/850005973.db2.gz JQIYOUKFPGMTKT-DZGCQCFKSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001038761037 850005979 /nfs/dbraw/zinc/00/59/79/850005979.db2.gz JQIYOUKFPGMTKT-DZGCQCFKSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803712 850021777 /nfs/dbraw/zinc/02/17/77/850021777.db2.gz IMCAHVMFADSPDW-LLVKDONJSA-N 1 2 261.325 0.983 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803712 850021781 /nfs/dbraw/zinc/02/17/81/850021781.db2.gz IMCAHVMFADSPDW-LLVKDONJSA-N 1 2 261.325 0.983 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001038843062 850041051 /nfs/dbraw/zinc/04/10/51/850041051.db2.gz UKJNAQWUUKTVEV-ZDUSSCGKSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001038843062 850041058 /nfs/dbraw/zinc/04/10/58/850041058.db2.gz UKJNAQWUUKTVEV-ZDUSSCGKSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001039046441 850136366 /nfs/dbraw/zinc/13/63/66/850136366.db2.gz MUQHMCBEWZLMMN-WCQYABFASA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001039046441 850136367 /nfs/dbraw/zinc/13/63/67/850136367.db2.gz MUQHMCBEWZLMMN-WCQYABFASA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340538 850175412 /nfs/dbraw/zinc/17/54/12/850175412.db2.gz CZUKGJOCPMXAEM-MNOVXSKESA-N 1 2 276.365 0.850 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340538 850175417 /nfs/dbraw/zinc/17/54/17/850175417.db2.gz CZUKGJOCPMXAEM-MNOVXSKESA-N 1 2 276.365 0.850 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041137927 850381197 /nfs/dbraw/zinc/38/11/97/850381197.db2.gz ZKGVKVVEWUTKEK-BXUZGUMPSA-N 1 2 289.339 0.654 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041137927 850381210 /nfs/dbraw/zinc/38/12/10/850381210.db2.gz ZKGVKVVEWUTKEK-BXUZGUMPSA-N 1 2 289.339 0.654 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001042636238 850718718 /nfs/dbraw/zinc/71/87/18/850718718.db2.gz JMJAKTJXTLSBIC-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042638996 850720697 /nfs/dbraw/zinc/72/06/97/850720697.db2.gz YOIPSJVTEBHCNH-SECBINFHSA-N 1 2 262.313 0.023 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001042726529 850746515 /nfs/dbraw/zinc/74/65/15/850746515.db2.gz VSLYYSIDKUZYPV-UHFFFAOYSA-N 1 2 293.367 0.100 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043833732 850945972 /nfs/dbraw/zinc/94/59/72/850945972.db2.gz ICURSHOEUZUNMF-ZDUSSCGKSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001043862119 850952167 /nfs/dbraw/zinc/95/21/67/850952167.db2.gz IDGZQIGUCAVSKQ-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)nn1 ZINC001044022493 850987344 /nfs/dbraw/zinc/98/73/44/850987344.db2.gz NQQRSSRKONKHHZ-UHFFFAOYSA-N 1 2 275.356 0.796 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001044115345 851014976 /nfs/dbraw/zinc/01/49/76/851014976.db2.gz DSWMTPBJGTXONU-UHFFFAOYSA-N 1 2 288.395 0.864 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](C)OC)C2)nc1 ZINC001044203905 851041437 /nfs/dbraw/zinc/04/14/37/851041437.db2.gz XSSRUUNRHAVDJU-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOC)C2)cn1 ZINC001044203619 851042397 /nfs/dbraw/zinc/04/23/97/851042397.db2.gz KCVLQUXYRPBVIC-UHFFFAOYSA-N 1 2 273.336 0.466 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001044243972 851051191 /nfs/dbraw/zinc/05/11/91/851051191.db2.gz DBTSELLLUOZUQL-CYBMUJFWSA-N 1 2 279.384 0.716 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692295 851144022 /nfs/dbraw/zinc/14/40/22/851144022.db2.gz GOQCBCCDZMGUQX-CHWSQXEVSA-N 1 2 275.356 0.766 20 30 CCEDLO CC(C)=CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001045996308 851344314 /nfs/dbraw/zinc/34/43/14/851344314.db2.gz DIWQKIXJZPSOOX-AWEZNQCLSA-N 1 2 276.384 0.695 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046233057 851431596 /nfs/dbraw/zinc/43/15/96/851431596.db2.gz ANNHPZMUMKWFQZ-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046233057 851431599 /nfs/dbraw/zinc/43/15/99/851431599.db2.gz ANNHPZMUMKWFQZ-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046360260 851474068 /nfs/dbraw/zinc/47/40/68/851474068.db2.gz QFPCIQFRMICELZ-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046360260 851474070 /nfs/dbraw/zinc/47/40/70/851474070.db2.gz QFPCIQFRMICELZ-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN(CC#N)C1 ZINC001046612588 851564234 /nfs/dbraw/zinc/56/42/34/851564234.db2.gz RMVZYNXEIAPBFH-IAQYHMDHSA-N 1 2 287.367 0.934 20 30 CCEDLO c1cn(CCCNN=C2CCO[C@@]23CCOC3)c[nH+]1 ZINC000901261516 851661608 /nfs/dbraw/zinc/66/16/08/851661608.db2.gz KUGSSWFXXFZYOS-CYBMUJFWSA-N 1 2 264.329 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nccn32)C1 ZINC001047457650 851771409 /nfs/dbraw/zinc/77/14/09/851771409.db2.gz HXXFZBXZFMNDTF-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nccn32)C1 ZINC001047457650 851771418 /nfs/dbraw/zinc/77/14/18/851771418.db2.gz HXXFZBXZFMNDTF-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001047489863 851784660 /nfs/dbraw/zinc/78/46/60/851784660.db2.gz VPEGGQGNYSWYFL-KBPBESRZSA-N 1 2 276.336 0.728 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001047489863 851784665 /nfs/dbraw/zinc/78/46/65/851784665.db2.gz VPEGGQGNYSWYFL-KBPBESRZSA-N 1 2 276.336 0.728 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835042 852384386 /nfs/dbraw/zinc/38/43/86/852384386.db2.gz NQUKPOVUBONILP-NEPJUHHUSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835042 852384391 /nfs/dbraw/zinc/38/43/91/852384391.db2.gz NQUKPOVUBONILP-NEPJUHHUSA-N 1 2 273.340 0.046 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001097792775 852616030 /nfs/dbraw/zinc/61/60/30/852616030.db2.gz SUJIKCWYGNFZCY-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(N)=O)C1 ZINC001097805735 852621226 /nfs/dbraw/zinc/62/12/26/852621226.db2.gz VEBBMRQOEPMOCI-LPWJVIDDSA-N 1 2 291.395 0.938 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(N)=O)C1 ZINC001097805735 852621230 /nfs/dbraw/zinc/62/12/30/852621230.db2.gz VEBBMRQOEPMOCI-LPWJVIDDSA-N 1 2 291.395 0.938 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052971329 852678124 /nfs/dbraw/zinc/67/81/24/852678124.db2.gz KSXQKTUAMKZTLR-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnns1)CCO2 ZINC001053169716 852700383 /nfs/dbraw/zinc/70/03/83/852700383.db2.gz MPYPMBZJVBBUHT-UHFFFAOYSA-N 1 2 294.380 0.641 20 30 CCEDLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2)OC ZINC001053190809 852706831 /nfs/dbraw/zinc/70/68/31/852706831.db2.gz GFFIZYZTRLLZEJ-OLZOCXBDSA-N 1 2 295.383 0.484 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnccn1)O2 ZINC001053566104 852760055 /nfs/dbraw/zinc/76/00/55/852760055.db2.gz JADBWFALKCSWAF-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccon1)CO2 ZINC001053761300 852810291 /nfs/dbraw/zinc/81/02/91/852810291.db2.gz YHVFLQCLGFTHEF-CYBMUJFWSA-N 1 2 289.335 0.200 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ocnc1C)CO2 ZINC001053764928 852812146 /nfs/dbraw/zinc/81/21/46/852812146.db2.gz CDPIZZCRPWZNMT-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccnc1)CO2 ZINC001053776588 852816790 /nfs/dbraw/zinc/81/67/90/852816790.db2.gz AHBSMKNPSIIOMI-OAHLLOKOSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccoc1)CO2 ZINC001053784012 852819691 /nfs/dbraw/zinc/81/96/91/852819691.db2.gz DNYWFQAHRLGNOM-CQSZACIVSA-N 1 2 288.347 0.805 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)CO2 ZINC001053893177 852840449 /nfs/dbraw/zinc/84/04/49/852840449.db2.gz LYOFUXIGMCYXRG-FRRDWIJNSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C)CO2 ZINC001053910794 852843380 /nfs/dbraw/zinc/84/33/80/852843380.db2.gz RICVCXZBHASOJF-AWEZNQCLSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)O)C3)C2)C1 ZINC001053919618 852847534 /nfs/dbraw/zinc/84/75/34/852847534.db2.gz PNFGNLOSKHSRSR-STQMWFEESA-N 1 2 294.395 0.683 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054636207 852987357 /nfs/dbraw/zinc/98/73/57/852987357.db2.gz JOCMPPRJKCGOTH-GWCFXTLKSA-N 1 2 288.351 0.728 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccncc1C#N ZINC001097955488 852997219 /nfs/dbraw/zinc/99/72/19/852997219.db2.gz NBGITIBZINPSQE-NSHDSACASA-N 1 2 298.350 0.268 20 30 CCEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056657220 853181554 /nfs/dbraw/zinc/18/15/54/853181554.db2.gz JTCLAGWZYROJNK-CYBMUJFWSA-N 1 2 296.334 0.285 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001050033513 853298137 /nfs/dbraw/zinc/29/81/37/853298137.db2.gz GKCOFZNSWHBJIJ-QWHCGFSZSA-N 1 2 287.367 0.789 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001050798195 853437809 /nfs/dbraw/zinc/43/78/09/853437809.db2.gz ASESFAGFHIBJRT-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001050798195 853437816 /nfs/dbraw/zinc/43/78/16/853437816.db2.gz ASESFAGFHIBJRT-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnsn1 ZINC001050826280 853448980 /nfs/dbraw/zinc/44/89/80/853448980.db2.gz CKMGGCOUWULDJU-NSHDSACASA-N 1 2 296.396 0.935 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnsn1 ZINC001050826280 853448985 /nfs/dbraw/zinc/44/89/85/853448985.db2.gz CKMGGCOUWULDJU-NSHDSACASA-N 1 2 296.396 0.935 20 30 CCEDLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050873264 853471316 /nfs/dbraw/zinc/47/13/16/853471316.db2.gz WZKNPQDXRBODPA-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050873264 853471318 /nfs/dbraw/zinc/47/13/18/853471318.db2.gz WZKNPQDXRBODPA-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csnn1 ZINC001051047879 853511425 /nfs/dbraw/zinc/51/14/25/853511425.db2.gz SBYCZHLSQVGMKY-NSHDSACASA-N 1 2 296.396 0.935 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1csnn1 ZINC001051047879 853511426 /nfs/dbraw/zinc/51/14/26/853511426.db2.gz SBYCZHLSQVGMKY-NSHDSACASA-N 1 2 296.396 0.935 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051984785 853670363 /nfs/dbraw/zinc/67/03/63/853670363.db2.gz NFIPFPLZZYSYGX-OAHLLOKOSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001052013897 853675666 /nfs/dbraw/zinc/67/56/66/853675666.db2.gz AYTXGFOHSAXISR-GJZGRUSLSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052063588 853679638 /nfs/dbraw/zinc/67/96/38/853679638.db2.gz WRFZZLLPEPDSSX-GJZGRUSLSA-N 1 2 295.402 0.976 20 30 CCEDLO CC[C@H](F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052063550 853679966 /nfs/dbraw/zinc/67/99/66/853679966.db2.gz VTOXZYOMNUTSNX-STQMWFEESA-N 1 2 282.363 0.477 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052063857 853681084 /nfs/dbraw/zinc/68/10/84/853681084.db2.gz YWWDGORASWBNAP-ZIAGYGMSSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)CC1 ZINC001052088472 853681419 /nfs/dbraw/zinc/68/14/19/853681419.db2.gz JHVIIENDGLXYQX-CABCVRRESA-N 1 2 287.407 0.638 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cocn2)[C@@H](n2ccnn2)C1 ZINC001069902215 853996245 /nfs/dbraw/zinc/99/62/45/853996245.db2.gz MGJOKJLUJHSWLG-PWSUYJOCSA-N 1 2 288.311 0.107 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cocn2)[C@@H](n2ccnn2)C1 ZINC001069902215 853996248 /nfs/dbraw/zinc/99/62/48/853996248.db2.gz MGJOKJLUJHSWLG-PWSUYJOCSA-N 1 2 288.311 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001069952364 854008266 /nfs/dbraw/zinc/00/82/66/854008266.db2.gz GVMIYSWGMBOXEC-KGLIPLIRSA-N 1 2 299.378 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001069952364 854008276 /nfs/dbraw/zinc/00/82/76/854008276.db2.gz GVMIYSWGMBOXEC-KGLIPLIRSA-N 1 2 299.378 0.443 20 30 CCEDLO CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070617915 854083139 /nfs/dbraw/zinc/08/31/39/854083139.db2.gz FTZISXNABXUJPU-GHMZBOCLSA-N 1 2 293.396 0.191 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070679040 854086489 /nfs/dbraw/zinc/08/64/89/854086489.db2.gz AYOOIRDVJADZAR-WUHRBBMRSA-N 1 2 287.367 0.484 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(C)=O)C1 ZINC001070895384 854099307 /nfs/dbraw/zinc/09/93/07/854099307.db2.gz AIOXYNVFUCLKPX-UPJWGTAASA-N 1 2 279.340 0.298 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(C)=O)C1 ZINC001070895384 854099313 /nfs/dbraw/zinc/09/93/13/854099313.db2.gz AIOXYNVFUCLKPX-UPJWGTAASA-N 1 2 279.340 0.298 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2CC2)CC1 ZINC001070928962 854103078 /nfs/dbraw/zinc/10/30/78/854103078.db2.gz LGKIUSQGEPPFNB-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2CC2)CC1 ZINC001070928962 854103081 /nfs/dbraw/zinc/10/30/81/854103081.db2.gz LGKIUSQGEPPFNB-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001070934764 854104252 /nfs/dbraw/zinc/10/42/52/854104252.db2.gz OJEDODFKUQTRRT-UONOGXRCSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001070934764 854104256 /nfs/dbraw/zinc/10/42/56/854104256.db2.gz OJEDODFKUQTRRT-UONOGXRCSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CN1CC#N ZINC001071990381 854332532 /nfs/dbraw/zinc/33/25/32/854332532.db2.gz ZBQLIESCXJXWTI-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001072602712 854427485 /nfs/dbraw/zinc/42/74/85/854427485.db2.gz LQWBTOMFNPMJMT-RYUDHWBXSA-N 1 2 290.367 0.882 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001074570220 854749555 /nfs/dbraw/zinc/74/95/55/854749555.db2.gz WTVIRCFOEFEVSO-YWVKMMECSA-N 1 2 277.328 0.617 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001098405588 854865344 /nfs/dbraw/zinc/86/53/44/854865344.db2.gz GFJOMUYSLXVWRS-MCIONIFRSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001098405588 854865351 /nfs/dbraw/zinc/86/53/51/854865351.db2.gz GFJOMUYSLXVWRS-MCIONIFRSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#C)nn2)C1 ZINC001098667368 854874860 /nfs/dbraw/zinc/87/48/60/854874860.db2.gz YELMNVCDLVCHSP-OAHLLOKOSA-N 1 2 299.378 0.578 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098773705 854884619 /nfs/dbraw/zinc/88/46/19/854884619.db2.gz GXKINWLBZBNLIT-ZDUSSCGKSA-N 1 2 289.383 0.820 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001099094974 854913696 /nfs/dbraw/zinc/91/36/96/854913696.db2.gz FINZASZEAAKKQG-FZMZJTMJSA-N 1 2 273.340 0.446 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001099404937 854932627 /nfs/dbraw/zinc/93/26/27/854932627.db2.gz KKDPNMABMIQCSN-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1cnc(C#N)cn1 ZINC001101718202 855349399 /nfs/dbraw/zinc/34/93/99/855349399.db2.gz NATUFMABFSMNDU-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO CN(CCNc1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728553 855354646 /nfs/dbraw/zinc/35/46/46/855354646.db2.gz AVUSDJHTTTZJOO-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001103334703 855512918 /nfs/dbraw/zinc/51/29/18/855512918.db2.gz KJTLALIUPOJRLE-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccncc1C#N ZINC001104001756 855560625 /nfs/dbraw/zinc/56/06/25/855560625.db2.gz BQQJCBUFTDXNII-LBPRGKRZSA-N 1 2 298.350 0.436 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1cncc(C#N)n1 ZINC001104052916 855564763 /nfs/dbraw/zinc/56/47/63/855564763.db2.gz MRWDLWNJBFHZFP-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC)C1 ZINC001149074565 855740151 /nfs/dbraw/zinc/74/01/51/855740151.db2.gz PEZNGPKNXYMTHP-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)COCC)C1 ZINC001149074565 855740158 /nfs/dbraw/zinc/74/01/58/855740158.db2.gz PEZNGPKNXYMTHP-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC001116539533 855783461 /nfs/dbraw/zinc/78/34/61/855783461.db2.gz XZFHRUCUDZWHKN-FZMZJTMJSA-N 1 2 297.355 0.178 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC001116539533 855783466 /nfs/dbraw/zinc/78/34/66/855783466.db2.gz XZFHRUCUDZWHKN-FZMZJTMJSA-N 1 2 297.355 0.178 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC001118186195 856192052 /nfs/dbraw/zinc/19/20/52/856192052.db2.gz NELBKUMFGPQKHS-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001118186195 856192055 /nfs/dbraw/zinc/19/20/55/856192055.db2.gz NELBKUMFGPQKHS-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCn1cc(CNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001118699409 856401009 /nfs/dbraw/zinc/40/10/09/856401009.db2.gz HYFHLLDUZZUPTJ-UHFFFAOYSA-N 1 2 257.297 0.488 20 30 CCEDLO C#CCn1cc(CNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001118699409 856401015 /nfs/dbraw/zinc/40/10/15/856401015.db2.gz HYFHLLDUZZUPTJ-UHFFFAOYSA-N 1 2 257.297 0.488 20 30 CCEDLO C=C1CCC(CNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001119740796 856863234 /nfs/dbraw/zinc/86/32/34/856863234.db2.gz OJBJJTXUMTWSRH-UHFFFAOYSA-N 1 2 290.367 0.862 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](CCc2ccccc2)C1 ZINC001393307748 912506017 /nfs/dbraw/zinc/50/60/17/912506017.db2.gz YVSWBOISWRYVBY-ZDUSSCGKSA-N 1 2 287.363 0.552 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001394028851 912919944 /nfs/dbraw/zinc/91/99/44/912919944.db2.gz CYYYEZDTHKLXNN-ZJUUUORDSA-N 1 2 275.780 0.700 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001394028851 912919952 /nfs/dbraw/zinc/91/99/52/912919952.db2.gz CYYYEZDTHKLXNN-ZJUUUORDSA-N 1 2 275.780 0.700 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001394043265 912940216 /nfs/dbraw/zinc/94/02/16/912940216.db2.gz LPHHJBFWBOINCJ-IUCAKERBSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001394043265 912940232 /nfs/dbraw/zinc/94/02/32/912940232.db2.gz LPHHJBFWBOINCJ-IUCAKERBSA-N 1 2 281.385 0.943 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)CC)C1 ZINC001324671370 912974268 /nfs/dbraw/zinc/97/42/68/912974268.db2.gz CSMNNMWGHUXXJG-ZDUSSCGKSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)CC)C1 ZINC001324671370 912974283 /nfs/dbraw/zinc/97/42/83/912974283.db2.gz CSMNNMWGHUXXJG-ZDUSSCGKSA-N 1 2 288.413 0.578 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCOCC1 ZINC001325002118 913143863 /nfs/dbraw/zinc/14/38/63/913143863.db2.gz JFDHCSUOTVQXSZ-VIFPVBQESA-N 1 2 296.264 0.775 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCOCC1 ZINC001325002118 913143881 /nfs/dbraw/zinc/14/38/81/913143881.db2.gz JFDHCSUOTVQXSZ-VIFPVBQESA-N 1 2 296.264 0.775 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001283605730 891941124 /nfs/dbraw/zinc/94/11/24/891941124.db2.gz JHJQONJUUHXMJP-YGRLFVJLSA-N 1 2 296.371 0.642 20 30 CCEDLO C#CC[N@H+](CC)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001480985688 892013508 /nfs/dbraw/zinc/01/35/08/892013508.db2.gz QRLCRVYCODDLQA-UHFFFAOYSA-N 1 2 274.368 0.973 20 30 CCEDLO C#CC[N@@H+](CC)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001480985688 892013520 /nfs/dbraw/zinc/01/35/20/892013520.db2.gz QRLCRVYCODDLQA-UHFFFAOYSA-N 1 2 274.368 0.973 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001419954318 892162778 /nfs/dbraw/zinc/16/27/78/892162778.db2.gz RNFFMLBVOZHOAJ-LBPRGKRZSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001419954318 892162782 /nfs/dbraw/zinc/16/27/82/892162782.db2.gz RNFFMLBVOZHOAJ-LBPRGKRZSA-N 1 2 296.415 0.841 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCOC1 ZINC001267713251 892351409 /nfs/dbraw/zinc/35/14/09/892351409.db2.gz LNFBNPMRGCKTHO-OFQRWUPVSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCOC1 ZINC001267713251 892351426 /nfs/dbraw/zinc/35/14/26/892351426.db2.gz LNFBNPMRGCKTHO-OFQRWUPVSA-N 1 2 292.379 0.348 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001481226171 892392003 /nfs/dbraw/zinc/39/20/03/892392003.db2.gz XJSUWWYKNHIGNM-IINYFYTJSA-N 1 2 296.371 0.814 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001481586553 892872825 /nfs/dbraw/zinc/87/28/25/892872825.db2.gz FUCZTRDUTBNAIE-BXUZGUMPSA-N 1 2 297.399 0.293 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001481636900 892945205 /nfs/dbraw/zinc/94/52/05/892945205.db2.gz PQWXXXCXKVVQSL-HNNXBMFYSA-N 1 2 297.399 0.009 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481688035 893006577 /nfs/dbraw/zinc/00/65/77/893006577.db2.gz BUVXTBYPCVSKNW-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481688035 893006600 /nfs/dbraw/zinc/00/66/00/893006600.db2.gz BUVXTBYPCVSKNW-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001481808096 893173142 /nfs/dbraw/zinc/17/31/42/893173142.db2.gz LYSWTGZPVYDQDY-FZMZJTMJSA-N 1 2 296.371 0.690 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NCC#N ZINC001482554629 894232566 /nfs/dbraw/zinc/23/25/66/894232566.db2.gz YUXHYPZGTUSTNL-UPJWGTAASA-N 1 2 289.383 0.778 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cncn1 ZINC001483310862 895420934 /nfs/dbraw/zinc/42/09/34/895420934.db2.gz FMQSYFISWKODQB-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cncn1 ZINC001483310862 895420941 /nfs/dbraw/zinc/42/09/41/895420941.db2.gz FMQSYFISWKODQB-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO CCn1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001483319716 895451437 /nfs/dbraw/zinc/45/14/37/895451437.db2.gz MSGCGOJCBOJRFJ-VXGBXAGGSA-N 1 2 277.372 0.999 20 30 CCEDLO CCn1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001483319716 895451440 /nfs/dbraw/zinc/45/14/40/895451440.db2.gz MSGCGOJCBOJRFJ-VXGBXAGGSA-N 1 2 277.372 0.999 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001483367720 895507508 /nfs/dbraw/zinc/50/75/08/895507508.db2.gz LELXYQFOSPHYBU-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001483367720 895507514 /nfs/dbraw/zinc/50/75/14/895507514.db2.gz LELXYQFOSPHYBU-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cnn(CCOC)c2)nn1 ZINC001326485616 913986262 /nfs/dbraw/zinc/98/62/62/913986262.db2.gz DGJZCCMGWSBUHQ-UHFFFAOYSA-N 1 2 276.344 0.597 20 30 CCEDLO CCn1ccnc1C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001483644733 895788197 /nfs/dbraw/zinc/78/81/97/895788197.db2.gz BCXYJRNXCPBHKC-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1ccnc1C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001483644733 895788212 /nfs/dbraw/zinc/78/82/12/895788212.db2.gz BCXYJRNXCPBHKC-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1cc(C)on1 ZINC001483661035 895815920 /nfs/dbraw/zinc/81/59/20/895815920.db2.gz WHAMJFVIDZGOFS-AWEZNQCLSA-N 1 2 291.351 0.713 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCc1cc(C)on1 ZINC001483661035 895815939 /nfs/dbraw/zinc/81/59/39/895815939.db2.gz WHAMJFVIDZGOFS-AWEZNQCLSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001483691393 895862858 /nfs/dbraw/zinc/86/28/58/895862858.db2.gz GXBTVKIHRGWYHZ-ZFWWWQNUSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001483691393 895862862 /nfs/dbraw/zinc/86/28/62/895862862.db2.gz GXBTVKIHRGWYHZ-ZFWWWQNUSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001484031903 896157355 /nfs/dbraw/zinc/15/73/55/896157355.db2.gz FYULXLALBAPOLG-BXUZGUMPSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001484031903 896157361 /nfs/dbraw/zinc/15/73/61/896157361.db2.gz FYULXLALBAPOLG-BXUZGUMPSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001484299239 896328300 /nfs/dbraw/zinc/32/83/00/896328300.db2.gz HJMUQPJJMAWUHX-CYBMUJFWSA-N 1 2 290.363 0.878 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cccs2)C1 ZINC001484426582 896393220 /nfs/dbraw/zinc/39/32/20/896393220.db2.gz QNJQTZQUQGKISY-AWEZNQCLSA-N 1 2 278.377 0.938 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cccs2)C1 ZINC001484426582 896393235 /nfs/dbraw/zinc/39/32/35/896393235.db2.gz QNJQTZQUQGKISY-AWEZNQCLSA-N 1 2 278.377 0.938 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2coc(C)n2)C1 ZINC001484433949 896407133 /nfs/dbraw/zinc/40/71/33/896407133.db2.gz JWQQBXDEVMTRJI-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2coc(C)n2)C1 ZINC001484433949 896407141 /nfs/dbraw/zinc/40/71/41/896407141.db2.gz JWQQBXDEVMTRJI-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001484587764 896481348 /nfs/dbraw/zinc/48/13/48/896481348.db2.gz QIMAYGBAQCEWQV-GJZGRUSLSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001484587764 896481351 /nfs/dbraw/zinc/48/13/51/896481351.db2.gz QIMAYGBAQCEWQV-GJZGRUSLSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001484588341 896485781 /nfs/dbraw/zinc/48/57/81/896485781.db2.gz XEXIOWDOOGSLQQ-KBPBESRZSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001484588341 896485790 /nfs/dbraw/zinc/48/57/90/896485790.db2.gz XEXIOWDOOGSLQQ-KBPBESRZSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001484800552 896604155 /nfs/dbraw/zinc/60/41/55/896604155.db2.gz AUCTWDPBWUNQIU-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)nn1C ZINC001485288559 896920914 /nfs/dbraw/zinc/92/09/14/896920914.db2.gz WRLYPFXVSVCRHX-CMPLNLGQSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)nn1C ZINC001485288559 896920922 /nfs/dbraw/zinc/92/09/22/896920922.db2.gz WRLYPFXVSVCRHX-CMPLNLGQSA-N 1 2 277.372 0.825 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)/C(C)=C/C)C1 ZINC001485401630 897033347 /nfs/dbraw/zinc/03/33/47/897033347.db2.gz DRRMIGWGGPAXPL-WLRTZDKTSA-N 1 2 282.384 0.708 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)/C(C)=C\C)C1 ZINC001485401629 897036133 /nfs/dbraw/zinc/03/61/33/897036133.db2.gz DRRMIGWGGPAXPL-ACAGNQJTSA-N 1 2 282.384 0.708 20 30 CCEDLO C[C@@H](NC(=O)C1CCCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485485037 897086988 /nfs/dbraw/zinc/08/69/88/897086988.db2.gz CUQOGUFUIXIVEQ-LLVKDONJSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107834131 897329145 /nfs/dbraw/zinc/32/91/45/897329145.db2.gz VYIQDWIPAFDGLQ-DZGCQCFKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107834131 897329162 /nfs/dbraw/zinc/32/91/62/897329162.db2.gz VYIQDWIPAFDGLQ-DZGCQCFKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ocnc2C)C1 ZINC001107844232 897342491 /nfs/dbraw/zinc/34/24/91/897342491.db2.gz QBHIPUCRXFPESV-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ocnc2C)C1 ZINC001107844232 897342506 /nfs/dbraw/zinc/34/25/06/897342506.db2.gz QBHIPUCRXFPESV-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001107851242 897355384 /nfs/dbraw/zinc/35/53/84/897355384.db2.gz BWUHPAICRHOTDE-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107923116 897499252 /nfs/dbraw/zinc/49/92/52/897499252.db2.gz BTFDZKUFWXFTLV-YPMHNXCESA-N 1 2 286.322 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107923116 897499257 /nfs/dbraw/zinc/49/92/57/897499257.db2.gz BTFDZKUFWXFTLV-YPMHNXCESA-N 1 2 286.322 0.872 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#C)C[C@H]2O)cc1 ZINC001077795652 897523365 /nfs/dbraw/zinc/52/33/65/897523365.db2.gz QQCMLKPEZZWKQI-HZPDHXFCSA-N 1 2 298.342 0.107 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC#C)C[C@H]2O)cc1 ZINC001077795652 897523373 /nfs/dbraw/zinc/52/33/73/897523373.db2.gz QQCMLKPEZZWKQI-HZPDHXFCSA-N 1 2 298.342 0.107 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939473 897525162 /nfs/dbraw/zinc/52/51/62/897525162.db2.gz CNIVEVCNXJZEDB-UKRRQHHQSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939473 897525174 /nfs/dbraw/zinc/52/51/74/897525174.db2.gz CNIVEVCNXJZEDB-UKRRQHHQSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc(C)o1 ZINC001032443933 897582020 /nfs/dbraw/zinc/58/20/20/897582020.db2.gz XGBWXDKBJMTYQY-RYUDHWBXSA-N 1 2 259.309 0.444 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc(C)o1 ZINC001032443933 897582032 /nfs/dbraw/zinc/58/20/32/897582032.db2.gz XGBWXDKBJMTYQY-RYUDHWBXSA-N 1 2 259.309 0.444 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncc(C)cn2n1 ZINC001032466866 897603461 /nfs/dbraw/zinc/60/34/61/897603461.db2.gz FBDBUOUVEJOQIL-RYUDHWBXSA-N 1 2 298.350 0.517 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncc(C)cn2n1 ZINC001032466866 897603468 /nfs/dbraw/zinc/60/34/68/897603468.db2.gz FBDBUOUVEJOQIL-RYUDHWBXSA-N 1 2 298.350 0.517 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272772381 897642996 /nfs/dbraw/zinc/64/29/96/897642996.db2.gz JJMBRTMSZPLDGC-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272772381 897643006 /nfs/dbraw/zinc/64/30/06/897643006.db2.gz JJMBRTMSZPLDGC-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001032590963 897788579 /nfs/dbraw/zinc/78/85/79/897788579.db2.gz HONUKCKHSJFMQI-SDDRHHMPSA-N 1 2 285.351 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001032590963 897788587 /nfs/dbraw/zinc/78/85/87/897788587.db2.gz HONUKCKHSJFMQI-SDDRHHMPSA-N 1 2 285.351 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001032602273 897809849 /nfs/dbraw/zinc/80/98/49/897809849.db2.gz UOAYCDMTDIIEEW-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001032602273 897809865 /nfs/dbraw/zinc/80/98/65/897809865.db2.gz UOAYCDMTDIIEEW-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)cc1=O ZINC001032658812 897906219 /nfs/dbraw/zinc/90/62/19/897906219.db2.gz FSAWEHMHXCXLCG-KBPBESRZSA-N 1 2 285.347 0.075 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)cc1=O ZINC001032658812 897906232 /nfs/dbraw/zinc/90/62/32/897906232.db2.gz FSAWEHMHXCXLCG-KBPBESRZSA-N 1 2 285.347 0.075 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001032685497 897934426 /nfs/dbraw/zinc/93/44/26/897934426.db2.gz GUBJMVXQXZWNHF-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001032685497 897934431 /nfs/dbraw/zinc/93/44/31/897934431.db2.gz GUBJMVXQXZWNHF-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001032721817 897981435 /nfs/dbraw/zinc/98/14/35/897981435.db2.gz JHCFTPQVKJLFHO-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001032721817 897981452 /nfs/dbraw/zinc/98/14/52/897981452.db2.gz JHCFTPQVKJLFHO-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001077891206 898000545 /nfs/dbraw/zinc/00/05/45/898000545.db2.gz UCDDUYICUAELMD-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001077891206 898000558 /nfs/dbraw/zinc/00/05/58/898000558.db2.gz UCDDUYICUAELMD-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001032730144 898024968 /nfs/dbraw/zinc/02/49/68/898024968.db2.gz WWFCFOSCXRIEKU-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001032730144 898024983 /nfs/dbraw/zinc/02/49/83/898024983.db2.gz WWFCFOSCXRIEKU-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077935735 898074455 /nfs/dbraw/zinc/07/44/55/898074455.db2.gz IPCPYZKDICUJKG-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077935735 898074461 /nfs/dbraw/zinc/07/44/61/898074461.db2.gz IPCPYZKDICUJKG-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc[nH]c12 ZINC001032752960 898085702 /nfs/dbraw/zinc/08/57/02/898085702.db2.gz CQWCBNPPOSXLSA-RYUDHWBXSA-N 1 2 283.335 0.584 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc[nH]c12 ZINC001032752960 898085718 /nfs/dbraw/zinc/08/57/18/898085718.db2.gz CQWCBNPPOSXLSA-RYUDHWBXSA-N 1 2 283.335 0.584 20 30 CCEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272888763 898124752 /nfs/dbraw/zinc/12/47/52/898124752.db2.gz ACWQWSUKDOCWEZ-GFCCVEGCSA-N 1 2 280.368 0.954 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001272918141 898167474 /nfs/dbraw/zinc/16/74/74/898167474.db2.gz DVHUFUQPAIHIEQ-LBPRGKRZSA-N 1 2 272.352 0.761 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001078130736 898248710 /nfs/dbraw/zinc/24/87/10/898248710.db2.gz KZEMAEREKKPEIH-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1CCCCC1=O ZINC001032797929 898358216 /nfs/dbraw/zinc/35/82/16/898358216.db2.gz IELPZDQXEHICDS-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1CCCCC1=O ZINC001032797929 898358226 /nfs/dbraw/zinc/35/82/26/898358226.db2.gz IELPZDQXEHICDS-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H]1C ZINC001486181946 898699338 /nfs/dbraw/zinc/69/93/38/898699338.db2.gz WBARWGSXGNBGCW-WDEREUQCSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H]1C ZINC001486181946 898699355 /nfs/dbraw/zinc/69/93/55/898699355.db2.gz WBARWGSXGNBGCW-WDEREUQCSA-N 1 2 299.802 0.974 20 30 CCEDLO C=CCCC(=O)NC1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001486586764 898928614 /nfs/dbraw/zinc/92/86/14/898928614.db2.gz LKRTYJHYIDLJAY-UHFFFAOYSA-N 1 2 290.367 0.860 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)C#N ZINC001434772770 899500161 /nfs/dbraw/zinc/50/01/61/899500161.db2.gz LLHIMNYSUOPYLQ-ZDUSSCGKSA-N 1 2 295.431 0.813 20 30 CCEDLO N#Cc1cnc(C(=O)N2CCc3[nH+]ccn3CC2)cn1 ZINC001199666561 900070968 /nfs/dbraw/zinc/07/09/68/900070968.db2.gz YGFRYNYIFRHKCL-UHFFFAOYSA-N 1 2 268.280 0.243 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CCC1 ZINC001488645530 900328001 /nfs/dbraw/zinc/32/80/01/900328001.db2.gz RKOINCIQXDZQSP-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CCC1 ZINC001488645530 900328009 /nfs/dbraw/zinc/32/80/09/900328009.db2.gz RKOINCIQXDZQSP-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001489329674 900468926 /nfs/dbraw/zinc/46/89/26/900468926.db2.gz DLWOILIUGXWKRB-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001489329674 900468932 /nfs/dbraw/zinc/46/89/32/900468932.db2.gz DLWOILIUGXWKRB-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001489791169 900522742 /nfs/dbraw/zinc/52/27/42/900522742.db2.gz CPJFZYQYJFKEII-ZDUSSCGKSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C2CC3(CC3)C2)CC1 ZINC001490505208 900654833 /nfs/dbraw/zinc/65/48/33/900654833.db2.gz LDVDMASFDXRJKD-UHFFFAOYSA-N 1 2 275.396 0.544 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCOCC)O2 ZINC001327345832 914490721 /nfs/dbraw/zinc/49/07/21/914490721.db2.gz VWXVJLUZOVNWRL-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001327351025 914494002 /nfs/dbraw/zinc/49/40/02/914494002.db2.gz XERMMMXOYFSEEL-VXGBXAGGSA-N 1 2 263.341 0.682 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001327381338 902151618 /nfs/dbraw/zinc/15/16/18/902151618.db2.gz YRNQYVAVJBMNCR-RYUDHWBXSA-N 1 2 261.325 0.129 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001490878427 902223541 /nfs/dbraw/zinc/22/35/41/902223541.db2.gz KDCITOKDXJSUBS-FBIMIBRVSA-N 1 2 289.339 0.843 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001398297408 914612207 /nfs/dbraw/zinc/61/22/07/914612207.db2.gz VYTIGCZBQATBJX-AAEUAGOBSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001398297408 914612212 /nfs/dbraw/zinc/61/22/12/914612212.db2.gz VYTIGCZBQATBJX-AAEUAGOBSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@]1(C#N)CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001327581717 914632744 /nfs/dbraw/zinc/63/27/44/914632744.db2.gz BORDHFFERWGPIX-ZDUSSCGKSA-N 1 2 259.313 0.431 20 30 CCEDLO C#CCCN1CCC[C@H](Nc2cc(N)nc[nH+]2)C1=O ZINC001160899946 903768718 /nfs/dbraw/zinc/76/87/18/903768718.db2.gz QKPKCTWAFWMVMD-JTQLQIEISA-N 1 2 259.313 0.485 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001282444658 904477405 /nfs/dbraw/zinc/47/74/05/904477405.db2.gz VCEXLIHHHGUEAR-VHSXEESVSA-N 1 2 273.764 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001282444658 904477418 /nfs/dbraw/zinc/47/74/18/904477418.db2.gz VCEXLIHHHGUEAR-VHSXEESVSA-N 1 2 273.764 0.312 20 30 CCEDLO C=CC(C)(C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001282518174 904499442 /nfs/dbraw/zinc/49/94/42/904499442.db2.gz KBRGHFNWGXXBEQ-LBPRGKRZSA-N 1 2 284.400 0.523 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001398733971 914818084 /nfs/dbraw/zinc/81/80/84/914818084.db2.gz JKHUPTSEIWRRBY-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001398733971 914818101 /nfs/dbraw/zinc/81/81/01/914818101.db2.gz JKHUPTSEIWRRBY-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001377333106 904790795 /nfs/dbraw/zinc/79/07/95/904790795.db2.gz DLJJZKWDCWHHRS-GHMZBOCLSA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001377333106 904790803 /nfs/dbraw/zinc/79/08/03/904790803.db2.gz DLJJZKWDCWHHRS-GHMZBOCLSA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001377395224 904840106 /nfs/dbraw/zinc/84/01/06/904840106.db2.gz UECRNKSKTBFWDJ-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001377395224 904840120 /nfs/dbraw/zinc/84/01/20/904840120.db2.gz UECRNKSKTBFWDJ-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001283745549 904989412 /nfs/dbraw/zinc/98/94/12/904989412.db2.gz QZDHIDVFCNONST-STQMWFEESA-N 1 2 290.367 0.408 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001284341466 905252487 /nfs/dbraw/zinc/25/24/87/905252487.db2.gz COQJEGWAPGFZTB-NSHDSACASA-N 1 2 276.340 0.377 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNC(=O)C#CC1CC1 ZINC001285677945 905715099 /nfs/dbraw/zinc/71/50/99/905715099.db2.gz YDXJHCOPHBKGNP-SNVBAGLBSA-N 1 2 288.351 0.295 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C(F)F ZINC001337086813 921181924 /nfs/dbraw/zinc/18/19/24/921181924.db2.gz KEFPIKJINYOWBM-RQJHMYQMSA-N 1 2 250.245 0.203 20 30 CCEDLO C=CCCC(=O)N(C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001285998707 905829985 /nfs/dbraw/zinc/82/99/85/905829985.db2.gz HMKJSVSHDWUAJI-UHFFFAOYSA-N 1 2 290.367 0.896 20 30 CCEDLO C=CCCC(=O)N1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001286098287 905851222 /nfs/dbraw/zinc/85/12/22/905851222.db2.gz NHGRLRVRDFXATH-HNNXBMFYSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CC(C)(C)C(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292935875 906370234 /nfs/dbraw/zinc/37/02/34/906370234.db2.gz ITQLPCWDIQIVHD-UHFFFAOYSA-N 1 2 264.329 0.328 20 30 CCEDLO C#CCCCC(=O)NCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001294044472 906549035 /nfs/dbraw/zinc/54/90/35/906549035.db2.gz PITYCAFQVBNDRD-UHFFFAOYSA-N 1 2 290.367 0.651 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001295010407 906660458 /nfs/dbraw/zinc/66/04/58/906660458.db2.gz NFUQBPAODWBUEH-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO C#CC[NH+]1CCN(c2nccc(C(=O)OC)n2)CC1 ZINC001337776113 921292378 /nfs/dbraw/zinc/29/23/78/921292378.db2.gz NBGOXIREJLPVNX-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001297727395 907109721 /nfs/dbraw/zinc/10/97/21/907109721.db2.gz SAAUCUCUZZPYLS-LLVKDONJSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2cnco2)CC1 ZINC001381260413 907131918 /nfs/dbraw/zinc/13/19/18/907131918.db2.gz NSHHBXNEOUDEIO-UHFFFAOYSA-N 1 2 299.758 0.984 20 30 CCEDLO Cc1nc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C#N)co1 ZINC001382449299 907742419 /nfs/dbraw/zinc/74/24/19/907742419.db2.gz GXVPAOWOOWLUCH-MFKMUULPSA-N 1 2 294.355 0.394 20 30 CCEDLO Cc1nc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C#N)co1 ZINC001382449299 907742428 /nfs/dbraw/zinc/74/24/28/907742428.db2.gz GXVPAOWOOWLUCH-MFKMUULPSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)CC ZINC001492194073 907748769 /nfs/dbraw/zinc/74/87/69/907748769.db2.gz FIVRFEZEFGJDNZ-NSHDSACASA-N 1 2 255.362 0.383 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)CC ZINC001492194073 907748779 /nfs/dbraw/zinc/74/87/79/907748779.db2.gz FIVRFEZEFGJDNZ-NSHDSACASA-N 1 2 255.362 0.383 20 30 CCEDLO C=CCN(CCOC)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001338060639 921354901 /nfs/dbraw/zinc/35/49/01/921354901.db2.gz VVCLHNRJGNRQPP-UHFFFAOYSA-N 1 2 290.371 0.778 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1ccsc1 ZINC001492186489 907788428 /nfs/dbraw/zinc/78/84/28/907788428.db2.gz ABAZURDKFIKNKF-UHFFFAOYSA-N 1 2 295.408 0.641 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1ccsc1 ZINC001492186489 907788434 /nfs/dbraw/zinc/78/84/34/907788434.db2.gz ABAZURDKFIKNKF-UHFFFAOYSA-N 1 2 295.408 0.641 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1conc1CC ZINC001492249107 907801709 /nfs/dbraw/zinc/80/17/09/907801709.db2.gz ATYPSWNOROPZLI-LBPRGKRZSA-N 1 2 293.367 0.823 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1conc1CC ZINC001492249107 907801722 /nfs/dbraw/zinc/80/17/22/907801722.db2.gz ATYPSWNOROPZLI-LBPRGKRZSA-N 1 2 293.367 0.823 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001492305160 907831959 /nfs/dbraw/zinc/83/19/59/907831959.db2.gz JAQLMRYDMNSGKR-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001492305160 907831971 /nfs/dbraw/zinc/83/19/71/907831971.db2.gz JAQLMRYDMNSGKR-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001492428385 907915008 /nfs/dbraw/zinc/91/50/08/907915008.db2.gz MADVPVYQNPERKW-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001492428385 907915018 /nfs/dbraw/zinc/91/50/18/907915018.db2.gz MADVPVYQNPERKW-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](COCC)C(=O)OC ZINC001307592951 908324842 /nfs/dbraw/zinc/32/48/42/908324842.db2.gz RWQJUTZVTCOAIC-NWDGAFQWSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](COCC)C(=O)OC ZINC001307592951 908324852 /nfs/dbraw/zinc/32/48/52/908324852.db2.gz RWQJUTZVTCOAIC-NWDGAFQWSA-N 1 2 259.346 0.823 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nncn2C)CC1 ZINC001308094418 908378735 /nfs/dbraw/zinc/37/87/35/908378735.db2.gz ZRBBXRFOSODJAU-LBPRGKRZSA-N 1 2 278.356 0.797 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCNC(=O)C#CC(C)C)[nH]1 ZINC001316822556 908785850 /nfs/dbraw/zinc/78/58/50/908785850.db2.gz RJJXCGBGARLVSF-UHFFFAOYSA-N 1 2 277.372 0.711 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCNC(=O)C#CC(C)C)[nH]1 ZINC001316822556 908785861 /nfs/dbraw/zinc/78/58/61/908785861.db2.gz RJJXCGBGARLVSF-UHFFFAOYSA-N 1 2 277.372 0.711 20 30 CCEDLO Cc1cc[nH]c1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316964465 908872670 /nfs/dbraw/zinc/87/26/70/908872670.db2.gz ZUJJGVQLFHQQRO-UHFFFAOYSA-N 1 2 275.356 0.194 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(=O)NC ZINC001317050191 908938033 /nfs/dbraw/zinc/93/80/33/908938033.db2.gz RXTDEDHODRALHK-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(=O)NC ZINC001317050191 908938050 /nfs/dbraw/zinc/93/80/50/908938050.db2.gz RXTDEDHODRALHK-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)n1 ZINC001317239487 909080039 /nfs/dbraw/zinc/08/00/39/909080039.db2.gz RPUQPYBMRDDCPZ-SECBINFHSA-N 1 2 262.313 0.386 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001317498355 909269789 /nfs/dbraw/zinc/26/97/89/909269789.db2.gz RGHWJIPYBMDVMG-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001317498355 909269798 /nfs/dbraw/zinc/26/97/98/909269798.db2.gz RGHWJIPYBMDVMG-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317524450 909290659 /nfs/dbraw/zinc/29/06/59/909290659.db2.gz XIHHRQHKFPYGEY-VHSXEESVSA-N 1 2 263.301 0.167 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317524450 909290674 /nfs/dbraw/zinc/29/06/74/909290674.db2.gz XIHHRQHKFPYGEY-VHSXEESVSA-N 1 2 263.301 0.167 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001388045475 909359791 /nfs/dbraw/zinc/35/97/91/909359791.db2.gz INACBCLFDIDMJQ-LLVKDONJSA-N 1 2 277.328 0.007 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001317931222 909543784 /nfs/dbraw/zinc/54/37/84/909543784.db2.gz QVUWNIOEPOQNQX-DOMZBBRYSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001317931222 909543796 /nfs/dbraw/zinc/54/37/96/909543796.db2.gz QVUWNIOEPOQNQX-DOMZBBRYSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317962170 909553811 /nfs/dbraw/zinc/55/38/11/909553811.db2.gz ANPADDXTOPBJBX-LBPRGKRZSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317962170 909553822 /nfs/dbraw/zinc/55/38/22/909553822.db2.gz ANPADDXTOPBJBX-LBPRGKRZSA-N 1 2 278.356 0.173 20 30 CCEDLO CCOCC[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001318011482 909573273 /nfs/dbraw/zinc/57/32/73/909573273.db2.gz INNYBLNISFTCIM-UHFFFAOYSA-N 1 2 262.313 0.337 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2c(C)cnn2C)C1 ZINC001318053238 909598269 /nfs/dbraw/zinc/59/82/69/909598269.db2.gz WTIUKXIFWSSRBQ-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@H](C)CC)C1 ZINC001318108293 909622604 /nfs/dbraw/zinc/62/26/04/909622604.db2.gz SISTVXHRIXGGRJ-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCN(CC#N)C1 ZINC001318474505 909773383 /nfs/dbraw/zinc/77/33/83/909773383.db2.gz UTVILMZXCNBHMQ-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001318474505 909773401 /nfs/dbraw/zinc/77/34/01/909773401.db2.gz UTVILMZXCNBHMQ-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318529901 909802127 /nfs/dbraw/zinc/80/21/27/909802127.db2.gz XALMWKOBFVWZCH-NSHDSACASA-N 1 2 280.376 0.551 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318568593 909817556 /nfs/dbraw/zinc/81/75/56/909817556.db2.gz AXYHFXMAWRLTGX-FZMZJTMJSA-N 1 2 294.403 0.797 20 30 CCEDLO C[C@H](CC(=O)N1CCC[C@@H]1CNCC#N)n1cc[nH+]c1 ZINC001319113323 909991014 /nfs/dbraw/zinc/99/10/14/909991014.db2.gz IZJWXFLZLAMLTH-CHWSQXEVSA-N 1 2 275.356 0.938 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCCC ZINC001319978450 910387963 /nfs/dbraw/zinc/38/79/63/910387963.db2.gz WORAKKWCGPIZRL-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCCC ZINC001319978450 910387984 /nfs/dbraw/zinc/38/79/84/910387984.db2.gz WORAKKWCGPIZRL-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)o1 ZINC001320625234 910767685 /nfs/dbraw/zinc/76/76/85/910767685.db2.gz RMJRNCJAWYTUFK-UHFFFAOYSA-N 1 2 269.326 0.404 20 30 CCEDLO CCN(CC[NH2+]Cc1cnon1)C(=O)c1cc(C#N)c[nH]1 ZINC001320705192 910815650 /nfs/dbraw/zinc/81/56/50/910815650.db2.gz NHVASDYIJBFEOR-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO C=C(C)CCC(=O)N(CC)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001320745819 910837029 /nfs/dbraw/zinc/83/70/29/910837029.db2.gz IGOJAFRAMWFZBD-UHFFFAOYSA-N 1 2 295.387 0.403 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C#N)CCSC1 ZINC001321043754 911042916 /nfs/dbraw/zinc/04/29/16/911042916.db2.gz WUBFKVYAXYZQGJ-GFCCVEGCSA-N 1 2 264.354 0.868 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001391504630 911181410 /nfs/dbraw/zinc/18/14/10/911181410.db2.gz PJNMDTKPIQHCNS-CMPLNLGQSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001321842146 911522747 /nfs/dbraw/zinc/52/27/47/911522747.db2.gz MFMQIFFZLSFGOB-VHSXEESVSA-N 1 2 282.369 0.171 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001323199899 912175706 /nfs/dbraw/zinc/17/57/06/912175706.db2.gz UAUJMGWQKKVUKJ-AWEZNQCLSA-N 1 2 275.352 0.975 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001323199899 912175732 /nfs/dbraw/zinc/17/57/32/912175732.db2.gz UAUJMGWQKKVUKJ-AWEZNQCLSA-N 1 2 275.352 0.975 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001323215759 912188490 /nfs/dbraw/zinc/18/84/90/912188490.db2.gz ZUUHSGKBJDYYTD-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001323215759 912188497 /nfs/dbraw/zinc/18/84/97/912188497.db2.gz ZUUHSGKBJDYYTD-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001328408317 915175109 /nfs/dbraw/zinc/17/51/09/915175109.db2.gz YKNPHHLYHFDJOA-KBPBESRZSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001328408317 915175121 /nfs/dbraw/zinc/17/51/21/915175121.db2.gz YKNPHHLYHFDJOA-KBPBESRZSA-N 1 2 288.351 0.437 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001399828800 915399110 /nfs/dbraw/zinc/39/91/10/915399110.db2.gz OMTUPQUGAFSKTF-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001399828800 915399128 /nfs/dbraw/zinc/39/91/28/915399128.db2.gz OMTUPQUGAFSKTF-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001329287467 915792898 /nfs/dbraw/zinc/79/28/98/915792898.db2.gz LNNFTTNAUKIBAK-ZJUUUORDSA-N 1 2 292.343 0.237 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001329652407 916099202 /nfs/dbraw/zinc/09/92/02/916099202.db2.gz UDVXTDCGHZGLDJ-HNNXBMFYSA-N 1 2 294.395 0.114 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001401202609 916108206 /nfs/dbraw/zinc/10/82/06/916108206.db2.gz NJDKQPPABNKCOL-UWVGGRQHSA-N 1 2 279.344 0.728 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CC1(C)C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001329981995 916333444 /nfs/dbraw/zinc/33/34/44/916333444.db2.gz BPIXWKIIPPYURQ-CMPLNLGQSA-N 1 2 292.383 0.109 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COCCC)C2)C1 ZINC001330147692 916436381 /nfs/dbraw/zinc/43/63/81/916436381.db2.gz KQIYNUWNGRGXHD-INIZCTEOSA-N 1 2 294.395 0.740 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COCCC)C2)C1 ZINC001330147692 916436390 /nfs/dbraw/zinc/43/63/90/916436390.db2.gz KQIYNUWNGRGXHD-INIZCTEOSA-N 1 2 294.395 0.740 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CSCC#N)o1 ZINC001331390350 917298501 /nfs/dbraw/zinc/29/85/01/917298501.db2.gz USGQENXJAVWJLZ-VIFPVBQESA-N 1 2 297.384 0.571 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)CC)C1 ZINC001403291196 917633735 /nfs/dbraw/zinc/63/37/35/917633735.db2.gz DWHOITSGFJUINK-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO Cc1nnn([NH+]=CC2CCS(=O)(=O)CC2)c1C ZINC001331984211 917782449 /nfs/dbraw/zinc/78/24/49/917782449.db2.gz UAYBJHYNXMVXRA-UHFFFAOYSA-N 1 2 256.331 0.554 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)nn1 ZINC001332240189 917983125 /nfs/dbraw/zinc/98/31/25/917983125.db2.gz CZHRTJDOEGSYJQ-NSHDSACASA-N 1 2 290.327 0.051 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001404425074 918339375 /nfs/dbraw/zinc/33/93/75/918339375.db2.gz DZHIAPIQIUWFEJ-QWRGUYRKSA-N 1 2 291.355 0.085 20 30 CCEDLO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ncn(C)n1 ZINC001334651023 919692037 /nfs/dbraw/zinc/69/20/37/919692037.db2.gz UKIVIDLEOXHGKL-UWVGGRQHSA-N 1 2 251.334 0.766 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001335146412 919982778 /nfs/dbraw/zinc/98/27/78/919982778.db2.gz MMLXAPXOHFHOQL-NSHDSACASA-N 1 2 293.371 0.098 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001414204048 920256636 /nfs/dbraw/zinc/25/66/36/920256636.db2.gz BVSZADTUBQMPQI-SDDRHHMPSA-N 1 2 289.339 0.054 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccn(CCC#N)n2)c1 ZINC001414402953 920306572 /nfs/dbraw/zinc/30/65/72/920306572.db2.gz SSVSUAKKKFNONA-UHFFFAOYSA-N 1 2 287.327 0.894 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)C[C@H](O)CC#N)C[C@H](C)O1 ZINC001335965289 920531237 /nfs/dbraw/zinc/53/12/37/920531237.db2.gz CPJSLACGDNSDAR-FRRDWIJNSA-N 1 2 255.362 0.302 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)C[C@H](O)CC#N)C[C@H](C)O1 ZINC001335965289 920531247 /nfs/dbraw/zinc/53/12/47/920531247.db2.gz CPJSLACGDNSDAR-FRRDWIJNSA-N 1 2 255.362 0.302 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]n3)n2CC=C)CC1 ZINC001340380525 922070013 /nfs/dbraw/zinc/07/00/13/922070013.db2.gz SZAZNVZQENLXQQ-UHFFFAOYSA-N 1 2 298.354 0.004 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001418463431 922152171 /nfs/dbraw/zinc/15/21/71/922152171.db2.gz RPYFBVSXDMDMKJ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001418463431 922152173 /nfs/dbraw/zinc/15/21/73/922152173.db2.gz RPYFBVSXDMDMKJ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC=CCC1 ZINC001342061738 922785300 /nfs/dbraw/zinc/78/53/00/922785300.db2.gz KYYQPAYVZNZRLU-STQMWFEESA-N 1 2 289.383 0.968 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC=CCC1 ZINC001342061738 922785314 /nfs/dbraw/zinc/78/53/14/922785314.db2.gz KYYQPAYVZNZRLU-STQMWFEESA-N 1 2 289.383 0.968 20 30 CCEDLO N#CCCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001342417460 922954754 /nfs/dbraw/zinc/95/47/54/922954754.db2.gz QJBNTVYUKJGRDY-UHFFFAOYSA-N 1 2 285.307 0.370 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CS(C)(=O)=O)C2)C1=O ZINC001343797786 923472994 /nfs/dbraw/zinc/47/29/94/923472994.db2.gz XAIJKLDHCNYAAP-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](CS(C)(=O)=O)C2)C1=O ZINC001343797786 923472997 /nfs/dbraw/zinc/47/29/97/923472997.db2.gz XAIJKLDHCNYAAP-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001420269069 923477052 /nfs/dbraw/zinc/47/70/52/923477052.db2.gz XUHZAYHRNSHATH-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001420269069 923477056 /nfs/dbraw/zinc/47/70/56/923477056.db2.gz XUHZAYHRNSHATH-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001420580131 923801254 /nfs/dbraw/zinc/80/12/54/923801254.db2.gz ZUUQCDFWUQFXKV-JTQLQIEISA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001420580131 923801261 /nfs/dbraw/zinc/80/12/61/923801261.db2.gz ZUUQCDFWUQFXKV-JTQLQIEISA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001420679179 923870851 /nfs/dbraw/zinc/87/08/51/923870851.db2.gz DHMFLMUYKPTVKP-SNVBAGLBSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001420679179 923870867 /nfs/dbraw/zinc/87/08/67/923870867.db2.gz DHMFLMUYKPTVKP-SNVBAGLBSA-N 1 2 286.763 0.001 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001421125665 924165098 /nfs/dbraw/zinc/16/50/98/924165098.db2.gz AWTLXNYXIFIAQK-NWDGAFQWSA-N 1 2 294.399 0.355 20 30 CCEDLO C#CC1(F)CN(C(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001348263111 924630531 /nfs/dbraw/zinc/63/05/31/924630531.db2.gz FZJDBFCVDROFRV-UHFFFAOYSA-N 1 2 262.288 0.990 20 30 CCEDLO C=CC(C)(C)C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001349453884 924963606 /nfs/dbraw/zinc/96/36/06/924963606.db2.gz VZQXFWGZLIQGBM-UHFFFAOYSA-N 1 2 264.329 0.397 20 30 CCEDLO C#CC[NH+]1CCC(OC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001349770127 925050686 /nfs/dbraw/zinc/05/06/86/925050686.db2.gz DMYYRUWFXOBSAK-CYBMUJFWSA-N 1 2 299.392 0.595 20 30 CCEDLO C[C@H]1CN(Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)N1CC#N ZINC001350330493 925172903 /nfs/dbraw/zinc/17/29/03/925172903.db2.gz WKDYNNIIJMGUML-STQMWFEESA-N 1 2 290.415 0.904 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001350563050 925226024 /nfs/dbraw/zinc/22/60/24/925226024.db2.gz SZUJWXJXJCXCEF-CABZTGNLSA-N 1 2 250.302 0.510 20 30 CCEDLO C[NH+](C)Cc1nc(CNC(=O)C(C)(C)C#N)co1 ZINC001350750441 925268742 /nfs/dbraw/zinc/26/87/42/925268742.db2.gz MBDGINBOPQGKJD-UHFFFAOYSA-N 1 2 250.302 0.902 20 30 CCEDLO CCCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001352641038 925611262 /nfs/dbraw/zinc/61/12/62/925611262.db2.gz MSFDMJDCZKIJDR-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001353606585 925882331 /nfs/dbraw/zinc/88/23/31/925882331.db2.gz JGDTYGAZUVLHFR-JOCQHMNTSA-N 1 2 288.351 0.306 20 30 CCEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001354380184 926098987 /nfs/dbraw/zinc/09/89/87/926098987.db2.gz WFVLBWFFYSOPAC-NSHDSACASA-N 1 2 290.367 0.623 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC001354611555 926140059 /nfs/dbraw/zinc/14/00/59/926140059.db2.gz RZUWZBIICYMWRB-LLVKDONJSA-N 1 2 265.292 0.012 20 30 CCEDLO Cn1ncc(C[NH+]2CCN(CC#N)CC2)c1C1CC1 ZINC001355223006 926230472 /nfs/dbraw/zinc/23/04/72/926230472.db2.gz GXTRRNYNELDADK-UHFFFAOYSA-N 1 2 259.357 0.939 20 30 CCEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001355760451 926310333 /nfs/dbraw/zinc/31/03/33/926310333.db2.gz JAKONKCOVARZBL-UHFFFAOYSA-N 1 2 288.355 0.318 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001356789859 926439199 /nfs/dbraw/zinc/43/91/99/926439199.db2.gz HRGPRJMKURPFCB-OAHLLOKOSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)on2)C1 ZINC001421332237 926680024 /nfs/dbraw/zinc/68/00/24/926680024.db2.gz OZWDOGYUHNWYBZ-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C)on2)C1 ZINC001421332237 926680031 /nfs/dbraw/zinc/68/00/31/926680031.db2.gz OZWDOGYUHNWYBZ-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001358510129 926719840 /nfs/dbraw/zinc/71/98/40/926719840.db2.gz RZENSBVHBHSOQX-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001358510129 926719847 /nfs/dbraw/zinc/71/98/47/926719847.db2.gz RZENSBVHBHSOQX-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cnn(C)n1 ZINC001421838358 926933927 /nfs/dbraw/zinc/93/39/27/926933927.db2.gz JDXXILWQNYFWLX-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1cnn(C)n1 ZINC001421838358 926933938 /nfs/dbraw/zinc/93/39/38/926933938.db2.gz JDXXILWQNYFWLX-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001362594315 928224040 /nfs/dbraw/zinc/22/40/40/928224040.db2.gz ABTMVLGYYRYINC-BXUZGUMPSA-N 1 2 274.324 0.323 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001443772677 929697778 /nfs/dbraw/zinc/69/77/78/929697778.db2.gz IUZLJQBRDUHLOY-GFCCVEGCSA-N 1 2 297.790 0.691 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001443772677 929697780 /nfs/dbraw/zinc/69/77/80/929697780.db2.gz IUZLJQBRDUHLOY-GFCCVEGCSA-N 1 2 297.790 0.691 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)Cc1c[nH+]cn1C ZINC001443996638 929762449 /nfs/dbraw/zinc/76/24/49/929762449.db2.gz SNGDUNNPVIPAKU-WDEREUQCSA-N 1 2 291.355 0.085 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001372301526 929805492 /nfs/dbraw/zinc/80/54/92/929805492.db2.gz MIJGXMVCIBMMHH-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1ccnn1 ZINC001372321452 929813247 /nfs/dbraw/zinc/81/32/47/929813247.db2.gz YKGQXWOEHXKHMN-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1ccnn1 ZINC001372321452 929813255 /nfs/dbraw/zinc/81/32/55/929813255.db2.gz YKGQXWOEHXKHMN-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO COC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694840 361791378 /nfs/dbraw/zinc/79/13/78/361791378.db2.gz WMNGYTHWLNIBJP-OCCSQVGLSA-N 1 2 283.372 0.484 20 30 CCEDLO COC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694840 361791382 /nfs/dbraw/zinc/79/13/82/361791382.db2.gz WMNGYTHWLNIBJP-OCCSQVGLSA-N 1 2 283.372 0.484 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000600208548 361891677 /nfs/dbraw/zinc/89/16/77/361891677.db2.gz MISBTKSZBMVPMY-JTQLQIEISA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000600208548 361891682 /nfs/dbraw/zinc/89/16/82/361891682.db2.gz MISBTKSZBMVPMY-JTQLQIEISA-N 1 2 265.338 0.696 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)NCCn1cnc(C#N)n1 ZINC000492839793 529559576 /nfs/dbraw/zinc/55/95/76/529559576.db2.gz NNOLQAKQJXPGEF-ARJAWSKDSA-N 1 2 285.311 0.196 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682906 362032923 /nfs/dbraw/zinc/03/29/23/362032923.db2.gz OQDJKYVBCMELRO-JSGCOSHPSA-N 1 2 288.351 0.558 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682906 362032926 /nfs/dbraw/zinc/03/29/26/362032926.db2.gz OQDJKYVBCMELRO-JSGCOSHPSA-N 1 2 288.351 0.558 20 30 CCEDLO N#CCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680726 362033207 /nfs/dbraw/zinc/03/32/07/362033207.db2.gz GJDGGMKENBRGNJ-CYBMUJFWSA-N 1 2 274.324 0.312 20 30 CCEDLO N#CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680726 362033211 /nfs/dbraw/zinc/03/32/11/362033211.db2.gz GJDGGMKENBRGNJ-CYBMUJFWSA-N 1 2 274.324 0.312 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721185 365727447 /nfs/dbraw/zinc/72/74/47/365727447.db2.gz MGKPEDQALQIOPS-SYQHCUMBSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721185 365727449 /nfs/dbraw/zinc/72/74/49/365727449.db2.gz MGKPEDQALQIOPS-SYQHCUMBSA-N 1 2 282.384 0.803 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601104683 362150762 /nfs/dbraw/zinc/15/07/62/362150762.db2.gz CQPUQILJCNZTBD-NSHDSACASA-N 1 2 287.367 0.780 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC(F)(F)C2)C1 ZINC000330199879 529789078 /nfs/dbraw/zinc/78/90/78/529789078.db2.gz WAAYHCKZYAVVKB-SNVBAGLBSA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC2CC(F)(F)C2)C1 ZINC000330199879 529789080 /nfs/dbraw/zinc/78/90/80/529789080.db2.gz WAAYHCKZYAVVKB-SNVBAGLBSA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333057495 529789647 /nfs/dbraw/zinc/78/96/47/529789647.db2.gz AQFKGVIQIVEPTA-DOMZBBRYSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333057495 529789649 /nfs/dbraw/zinc/78/96/49/529789649.db2.gz AQFKGVIQIVEPTA-DOMZBBRYSA-N 1 2 277.368 0.907 20 30 CCEDLO CN1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1=O ZINC000330199116 529827653 /nfs/dbraw/zinc/82/76/53/529827653.db2.gz UXLPSWSDJPHGBE-WDEREUQCSA-N 1 2 291.355 0.322 20 30 CCEDLO CN1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCC1=O ZINC000330199116 529827654 /nfs/dbraw/zinc/82/76/54/529827654.db2.gz UXLPSWSDJPHGBE-WDEREUQCSA-N 1 2 291.355 0.322 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352288254 529869489 /nfs/dbraw/zinc/86/94/89/529869489.db2.gz YSZQEFRJYXCJOQ-LLVKDONJSA-N 1 2 297.384 0.551 20 30 CCEDLO CN(C[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1)S(C)(=O)=O ZINC000331383233 529948736 /nfs/dbraw/zinc/94/87/36/529948736.db2.gz KBVIBLZYNMHKAW-LBPRGKRZSA-N 1 2 285.413 0.894 20 30 CCEDLO CN(C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1)S(C)(=O)=O ZINC000331383233 529948738 /nfs/dbraw/zinc/94/87/38/529948738.db2.gz KBVIBLZYNMHKAW-LBPRGKRZSA-N 1 2 285.413 0.894 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601531656 362301516 /nfs/dbraw/zinc/30/15/16/362301516.db2.gz PUXLWNNKELFZMM-JTQLQIEISA-N 1 2 285.373 0.568 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681948 362353310 /nfs/dbraw/zinc/35/33/10/362353310.db2.gz BLGOJBBGNDSFAQ-LLVKDONJSA-N 1 2 263.341 0.517 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681948 362353318 /nfs/dbraw/zinc/35/33/18/362353318.db2.gz BLGOJBBGNDSFAQ-LLVKDONJSA-N 1 2 263.341 0.517 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)CC2 ZINC000601636724 362334441 /nfs/dbraw/zinc/33/44/41/362334441.db2.gz NTDMHNKXZYTZOQ-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO CCOCCOC1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601960346 362439283 /nfs/dbraw/zinc/43/92/83/362439283.db2.gz VAWRYHGNFDEFRC-LBPRGKRZSA-N 1 2 268.357 0.778 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]C1CN(c2ccncn2)C1 ZINC000601968270 362441550 /nfs/dbraw/zinc/44/15/50/362441550.db2.gz JMORZUWUIGUZBB-LLVKDONJSA-N 1 2 256.313 0.698 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602107548 362492233 /nfs/dbraw/zinc/49/22/33/362492233.db2.gz GUFUCYKAOSZBIK-GFCCVEGCSA-N 1 2 298.302 0.942 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000602327088 362586449 /nfs/dbraw/zinc/58/64/49/362586449.db2.gz PVCMDJMNPMMXKV-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000602327088 362586453 /nfs/dbraw/zinc/58/64/53/362586453.db2.gz PVCMDJMNPMMXKV-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000602433763 362613738 /nfs/dbraw/zinc/61/37/38/362613738.db2.gz CNDZAFCBLZMRPS-UHFFFAOYSA-N 1 2 299.378 0.349 20 30 CCEDLO N#CCN1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602456482 362625815 /nfs/dbraw/zinc/62/58/15/362625815.db2.gz YCZVNGWQVBMIEM-UHFFFAOYSA-N 1 2 274.324 0.494 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)[nH]c1C ZINC000602454904 362626100 /nfs/dbraw/zinc/62/61/00/362626100.db2.gz ONBIQKNTJSWBRP-UHFFFAOYSA-N 1 2 276.340 0.751 20 30 CCEDLO C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1CC[NH2+]CC1=O ZINC000602523200 362656860 /nfs/dbraw/zinc/65/68/60/362656860.db2.gz ZJFSNYZAGWITCB-LLVKDONJSA-N 1 2 298.346 0.221 20 30 CCEDLO C[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000602670962 362741382 /nfs/dbraw/zinc/74/13/82/362741382.db2.gz IGIWVGOCOQHYTR-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000602670962 362741384 /nfs/dbraw/zinc/74/13/84/362741384.db2.gz IGIWVGOCOQHYTR-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]Cc2cccc(C#N)c2)nn1 ZINC000120039836 349966683 /nfs/dbraw/zinc/96/66/83/349966683.db2.gz VKQHYOSLNRHFFP-UHFFFAOYSA-N 1 2 285.307 0.613 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602775894 362794615 /nfs/dbraw/zinc/79/46/15/362794615.db2.gz CUHLLVITIJXOKN-KBPBESRZSA-N 1 2 270.373 0.760 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602775894 362794623 /nfs/dbraw/zinc/79/46/23/362794623.db2.gz CUHLLVITIJXOKN-KBPBESRZSA-N 1 2 270.373 0.760 20 30 CCEDLO COCC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602763835 362788922 /nfs/dbraw/zinc/78/89/22/362788922.db2.gz DUQBSSJNNLYWKC-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[C@H](c1nccc(N)n1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847718 362834874 /nfs/dbraw/zinc/83/48/74/362834874.db2.gz CHTMICHESPFOJU-SDDRHHMPSA-N 1 2 274.372 0.868 20 30 CCEDLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852248 362838908 /nfs/dbraw/zinc/83/89/08/362838908.db2.gz AJBUVUTWBKXYQI-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852248 362838912 /nfs/dbraw/zinc/83/89/12/362838912.db2.gz AJBUVUTWBKXYQI-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000602859791 362844692 /nfs/dbraw/zinc/84/46/92/362844692.db2.gz AOILFCLGVPCMIH-ZJUUUORDSA-N 1 2 266.345 0.004 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900924 137085932 /nfs/dbraw/zinc/08/59/32/137085932.db2.gz GEERTXSEUAXQJT-DGCLKSJQSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900924 137085933 /nfs/dbraw/zinc/08/59/33/137085933.db2.gz GEERTXSEUAXQJT-DGCLKSJQSA-N 1 2 294.376 0.787 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000344308756 137188063 /nfs/dbraw/zinc/18/80/63/137188063.db2.gz PCSVZWIXHFUJMS-SECBINFHSA-N 1 2 281.337 0.666 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000344308756 137188064 /nfs/dbraw/zinc/18/80/64/137188064.db2.gz PCSVZWIXHFUJMS-SECBINFHSA-N 1 2 281.337 0.666 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000339355943 215117828 /nfs/dbraw/zinc/11/78/28/215117828.db2.gz GZZJXSIYCOYBNX-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000339355943 215117831 /nfs/dbraw/zinc/11/78/31/215117831.db2.gz GZZJXSIYCOYBNX-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000026126292 348092564 /nfs/dbraw/zinc/09/25/64/348092564.db2.gz OCUVISOPEPLBMJ-CQSZACIVSA-N 1 2 280.372 0.238 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000026126292 348092570 /nfs/dbraw/zinc/09/25/70/348092570.db2.gz OCUVISOPEPLBMJ-CQSZACIVSA-N 1 2 280.372 0.238 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000027115597 348096780 /nfs/dbraw/zinc/09/67/80/348096780.db2.gz RKXVCSRSNVLSHE-JTQLQIEISA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000027115597 348096783 /nfs/dbraw/zinc/09/67/83/348096783.db2.gz RKXVCSRSNVLSHE-JTQLQIEISA-N 1 2 255.318 0.109 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000344985248 137226324 /nfs/dbraw/zinc/22/63/24/137226324.db2.gz YPAAUFOMQKEMMG-NSHDSACASA-N 1 2 287.279 0.124 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000344985248 137226325 /nfs/dbraw/zinc/22/63/25/137226325.db2.gz YPAAUFOMQKEMMG-NSHDSACASA-N 1 2 287.279 0.124 20 30 CCEDLO CO/N=C/c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000048090289 348399082 /nfs/dbraw/zinc/39/90/82/348399082.db2.gz FAYRQKZEHBXUAV-SFQUDFHCSA-N 1 2 291.351 0.729 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000347418302 137335750 /nfs/dbraw/zinc/33/57/50/137335750.db2.gz ABJWUFBMLHZEJU-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCCC#N ZINC000602999081 362928983 /nfs/dbraw/zinc/92/89/83/362928983.db2.gz ZNRATWDPFFHBCB-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCCC#N ZINC000602999081 362928989 /nfs/dbraw/zinc/92/89/89/362928989.db2.gz ZNRATWDPFFHBCB-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CC)C[C@H](C)C#N ZINC000066423276 348742941 /nfs/dbraw/zinc/74/29/41/348742941.db2.gz QZBQHAJUTXOEFX-CYBMUJFWSA-N 1 2 296.415 0.795 20 30 CCEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CC)C[C@H](C)C#N ZINC000066423276 348742944 /nfs/dbraw/zinc/74/29/44/348742944.db2.gz QZBQHAJUTXOEFX-CYBMUJFWSA-N 1 2 296.415 0.795 20 30 CCEDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000066496847 348745805 /nfs/dbraw/zinc/74/58/05/348745805.db2.gz AVMIPLPHXGAZQR-UHFFFAOYSA-N 1 2 291.355 0.049 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006959 362935918 /nfs/dbraw/zinc/93/59/18/362935918.db2.gz SOFGBACUWCNBBR-UHFFFAOYSA-N 1 2 288.351 0.150 20 30 CCEDLO N#Cc1ccc(OCCNC(=O)Cn2cc[nH+]c2)cc1 ZINC000074029402 348969977 /nfs/dbraw/zinc/96/99/77/348969977.db2.gz MXUVKKLSHTXROR-UHFFFAOYSA-N 1 2 270.292 0.950 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000076876075 349093634 /nfs/dbraw/zinc/09/36/34/349093634.db2.gz HTFFJWBKVZDBHW-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000076876075 349093636 /nfs/dbraw/zinc/09/36/36/349093636.db2.gz HTFFJWBKVZDBHW-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO N#CCN1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077215000 349102928 /nfs/dbraw/zinc/10/29/28/349102928.db2.gz GGYMPLCNLBVSTM-UHFFFAOYSA-N 1 2 269.312 0.308 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(-n3cccc3)cn2)CC1 ZINC000081081203 349245128 /nfs/dbraw/zinc/24/51/28/349245128.db2.gz LNRDVYWCWFVRCA-UHFFFAOYSA-N 1 2 297.362 0.451 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000081513453 349270657 /nfs/dbraw/zinc/27/06/57/349270657.db2.gz XFTKDEXKVVWSTH-GFCCVEGCSA-N 1 2 280.349 0.399 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000081513453 349270660 /nfs/dbraw/zinc/27/06/60/349270660.db2.gz XFTKDEXKVVWSTH-GFCCVEGCSA-N 1 2 280.349 0.399 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443517 349305376 /nfs/dbraw/zinc/30/53/76/349305376.db2.gz JDWATHMOQWKVHK-JTQLQIEISA-N 1 2 263.345 0.675 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnn2CC)CC1 ZINC000122229891 350063581 /nfs/dbraw/zinc/06/35/81/350063581.db2.gz DOKCSIJUMULTJX-UHFFFAOYSA-N 1 2 291.399 0.323 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCO[C@H]2C)c1C#N ZINC000538925301 290890780 /nfs/dbraw/zinc/89/07/80/290890780.db2.gz SFGWLFFWQJNZAU-VHSXEESVSA-N 1 2 291.355 0.219 20 30 CCEDLO N#Cc1cc(NC(=O)NCC[NH+]2CCOCC2)ccn1 ZINC000603140706 362973510 /nfs/dbraw/zinc/97/35/10/362973510.db2.gz ZDAJBKGFVLAJKL-UHFFFAOYSA-N 1 2 275.312 0.407 20 30 CCEDLO Cn1ncnc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162709268 350750142 /nfs/dbraw/zinc/75/01/42/350750142.db2.gz MCLVBVSELYKBPH-UHFFFAOYSA-N 1 2 274.332 0.057 20 30 CCEDLO Cn1ncnc1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162709268 350750145 /nfs/dbraw/zinc/75/01/45/350750145.db2.gz MCLVBVSELYKBPH-UHFFFAOYSA-N 1 2 274.332 0.057 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(CCO)CC1 ZINC000165444774 350790061 /nfs/dbraw/zinc/79/00/61/350790061.db2.gz AJGFGSJVFZQDBB-UHFFFAOYSA-N 1 2 259.353 0.977 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C)c1 ZINC000176376337 351171017 /nfs/dbraw/zinc/17/10/17/351171017.db2.gz GYRXAYRQQRJTPW-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C)c1 ZINC000176376337 351171019 /nfs/dbraw/zinc/17/10/19/351171019.db2.gz GYRXAYRQQRJTPW-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000182480851 351363967 /nfs/dbraw/zinc/36/39/67/351363967.db2.gz CTVSHWYZBSNAHU-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000182480851 351363971 /nfs/dbraw/zinc/36/39/71/351363971.db2.gz CTVSHWYZBSNAHU-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO C#C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000185374608 351445254 /nfs/dbraw/zinc/44/52/54/351445254.db2.gz CWZQUXUAGWSXRO-CYBMUJFWSA-N 1 2 272.352 0.342 20 30 CCEDLO C[C@@]1(C#N)CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603309164 363058449 /nfs/dbraw/zinc/05/84/49/363058449.db2.gz PTFRETURVYYDOG-LBPRGKRZSA-N 1 2 282.369 0.839 20 30 CCEDLO Cc1c(C#N)c(=O)n(Cc2[nH+]ccn2C(F)F)c(=O)n1C ZINC000603358548 363086641 /nfs/dbraw/zinc/08/66/41/363086641.db2.gz KWSZPFZPYUADBN-UHFFFAOYSA-N 1 2 295.249 0.367 20 30 CCEDLO C[C@@H](C#N)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193226370 351817417 /nfs/dbraw/zinc/81/74/17/351817417.db2.gz QFWHIHZDTIPESD-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](C#N)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193226370 351817419 /nfs/dbraw/zinc/81/74/19/351817419.db2.gz QFWHIHZDTIPESD-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@]1(C#N)CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603384806 363102261 /nfs/dbraw/zinc/10/22/61/363102261.db2.gz AEZLLJZVOSVMLX-LLVKDONJSA-N 1 2 268.342 0.448 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OC ZINC000234798507 352171214 /nfs/dbraw/zinc/17/12/14/352171214.db2.gz SSGWNSLEGLCCTR-OKILXGFUSA-N 1 2 289.335 0.842 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OC ZINC000234798507 352171216 /nfs/dbraw/zinc/17/12/16/352171216.db2.gz SSGWNSLEGLCCTR-OKILXGFUSA-N 1 2 289.335 0.842 20 30 CCEDLO COc1cc(C[NH2+]Cc2nncn2C)ccc1C#N ZINC000234933679 352178265 /nfs/dbraw/zinc/17/82/65/352178265.db2.gz UFMXINCSHQPPEZ-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCSC[C@H]2C(N)=O)c1 ZINC000271582490 191225912 /nfs/dbraw/zinc/22/59/12/191225912.db2.gz QJLMKKDIWRGXIG-ZDUSSCGKSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCSC[C@H]2C(N)=O)c1 ZINC000271582490 191225914 /nfs/dbraw/zinc/22/59/14/191225914.db2.gz QJLMKKDIWRGXIG-ZDUSSCGKSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000269298628 352831388 /nfs/dbraw/zinc/83/13/88/352831388.db2.gz YCSFRMPUZWJNKL-AWEZNQCLSA-N 1 2 288.326 0.708 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(=O)[nH][nH]3)C2)nc1 ZINC000292364431 198259708 /nfs/dbraw/zinc/25/97/08/198259708.db2.gz YDFGJNMFSFVMNY-JTQLQIEISA-N 1 2 286.295 0.018 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(=O)[nH][nH]3)C2)nc1 ZINC000292364431 198259709 /nfs/dbraw/zinc/25/97/09/198259709.db2.gz YDFGJNMFSFVMNY-JTQLQIEISA-N 1 2 286.295 0.018 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000158040522 188354435 /nfs/dbraw/zinc/35/44/35/188354435.db2.gz ARYAAVHICNIRBH-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H](O)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000291293151 353777719 /nfs/dbraw/zinc/77/77/19/353777719.db2.gz RJWLCQIEPPJBIY-SNVBAGLBSA-N 1 2 283.353 0.040 20 30 CCEDLO C[C@@H](O)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000291293151 353777721 /nfs/dbraw/zinc/77/77/21/353777721.db2.gz RJWLCQIEPPJBIY-SNVBAGLBSA-N 1 2 283.353 0.040 20 30 CCEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC(=O)N1 ZINC000296065330 353929777 /nfs/dbraw/zinc/92/97/77/353929777.db2.gz DBIHDTCUWQALEA-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC(=O)N1 ZINC000296065330 353929782 /nfs/dbraw/zinc/92/97/82/353929782.db2.gz DBIHDTCUWQALEA-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(N)=O ZINC000298701051 353964648 /nfs/dbraw/zinc/96/46/48/353964648.db2.gz ZXSJDCZNSLMDCC-NSHDSACASA-N 1 2 259.309 0.705 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(N)=O ZINC000298701051 353964650 /nfs/dbraw/zinc/96/46/50/353964650.db2.gz ZXSJDCZNSLMDCC-NSHDSACASA-N 1 2 259.309 0.705 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000299381731 354012825 /nfs/dbraw/zinc/01/28/25/354012825.db2.gz SQZLPNNELJVROB-ZDUSSCGKSA-N 1 2 290.363 0.355 20 30 CCEDLO CC(=O)NCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000328649834 354246448 /nfs/dbraw/zinc/24/64/48/354246448.db2.gz VFMTUWAZVLKBQM-ZDUSSCGKSA-N 1 2 283.372 0.532 20 30 CCEDLO CC(=O)NCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000328649834 354246450 /nfs/dbraw/zinc/24/64/50/354246450.db2.gz VFMTUWAZVLKBQM-ZDUSSCGKSA-N 1 2 283.372 0.532 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000337213720 355284824 /nfs/dbraw/zinc/28/48/24/355284824.db2.gz WORWUWHYRDMIQO-JSGCOSHPSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@]3(CCOC3)C2)C1=O ZINC000337213720 355284827 /nfs/dbraw/zinc/28/48/27/355284827.db2.gz WORWUWHYRDMIQO-JSGCOSHPSA-N 1 2 266.341 0.265 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCNC1=O ZINC000340226930 355531316 /nfs/dbraw/zinc/53/13/16/355531316.db2.gz ULWHWCIZDMSIFN-GWCFXTLKSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226930 355531320 /nfs/dbraw/zinc/53/13/20/355531320.db2.gz ULWHWCIZDMSIFN-GWCFXTLKSA-N 1 2 286.335 0.706 20 30 CCEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCOCC1 ZINC000352841612 356093949 /nfs/dbraw/zinc/09/39/49/356093949.db2.gz UPTRIIDAQQLWPB-NSHDSACASA-N 1 2 294.380 0.742 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC1 ZINC000353025216 356140894 /nfs/dbraw/zinc/14/08/94/356140894.db2.gz QZCRRPPHZCUPDQ-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC1 ZINC000353025216 356140900 /nfs/dbraw/zinc/14/09/00/356140900.db2.gz QZCRRPPHZCUPDQ-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO CN1CC[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1=O ZINC000353737272 356283691 /nfs/dbraw/zinc/28/36/91/356283691.db2.gz HUKFOMGDPFUHQO-ZDUSSCGKSA-N 1 2 283.335 0.868 20 30 CCEDLO CN1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1=O ZINC000353737272 356283695 /nfs/dbraw/zinc/28/36/95/356283695.db2.gz HUKFOMGDPFUHQO-ZDUSSCGKSA-N 1 2 283.335 0.868 20 30 CCEDLO C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)n1cnc(C#N)n1 ZINC000619592411 366291093 /nfs/dbraw/zinc/29/10/93/366291093.db2.gz VXAUSRVLYGRGQU-SECBINFHSA-N 1 2 281.279 0.997 20 30 CCEDLO CN1CC[N@H+](CCCC2(C#N)CCOCC2)CC1=O ZINC000619620409 366302838 /nfs/dbraw/zinc/30/28/38/366302838.db2.gz NGUCSWUUBPXUFS-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO CN1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1=O ZINC000619620409 366302842 /nfs/dbraw/zinc/30/28/42/366302842.db2.gz NGUCSWUUBPXUFS-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000609485130 363499192 /nfs/dbraw/zinc/49/91/92/363499192.db2.gz JQIWSEUTFSNTMY-ZDUSSCGKSA-N 1 2 264.373 0.431 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000609705086 363514749 /nfs/dbraw/zinc/51/47/49/363514749.db2.gz PGCKUHPEBHBFHS-CHWSQXEVSA-N 1 2 264.373 0.383 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)CCCn1cc[nH+]c1 ZINC000609991419 363530826 /nfs/dbraw/zinc/53/08/26/363530826.db2.gz CZQDMHYTYATQEW-UHFFFAOYSA-N 1 2 264.285 0.188 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647496 366310448 /nfs/dbraw/zinc/31/04/48/366310448.db2.gz VVINLTSTFCIKKQ-RISCZKNCSA-N 1 2 290.342 0.882 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000610342823 363552275 /nfs/dbraw/zinc/55/22/75/363552275.db2.gz OPURPBAYMZCMEG-GHMZBOCLSA-N 1 2 261.329 0.807 20 30 CCEDLO C=C[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)C(=O)OC ZINC000619703095 366327601 /nfs/dbraw/zinc/32/76/01/366327601.db2.gz DRYJIHXVFDTGMC-GFCCVEGCSA-N 1 2 284.356 0.331 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000619715720 366332526 /nfs/dbraw/zinc/33/25/26/366332526.db2.gz CRGKHXNTXHSKQL-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000619715720 366332536 /nfs/dbraw/zinc/33/25/36/366332536.db2.gz CRGKHXNTXHSKQL-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000619715882 366332970 /nfs/dbraw/zinc/33/29/70/366332970.db2.gz YBBKHUSULPOFSF-NSHDSACASA-N 1 2 254.330 0.514 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H]1C ZINC000619750953 366348370 /nfs/dbraw/zinc/34/83/70/366348370.db2.gz CTYIGDSZJPPFJJ-RYUDHWBXSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H]1C ZINC000619750953 366348375 /nfs/dbraw/zinc/34/83/75/366348375.db2.gz CTYIGDSZJPPFJJ-RYUDHWBXSA-N 1 2 288.417 0.491 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000619722599 366343812 /nfs/dbraw/zinc/34/38/12/366343812.db2.gz XCZPJHCSCMUQKH-RWMBFGLXSA-N 1 2 287.356 0.060 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000619722599 366343820 /nfs/dbraw/zinc/34/38/20/366343820.db2.gz XCZPJHCSCMUQKH-RWMBFGLXSA-N 1 2 287.356 0.060 20 30 CCEDLO CCc1c[nH+]ccc1NC(=O)c1cnn(C)c1C#N ZINC000356158763 356712754 /nfs/dbraw/zinc/71/27/54/356712754.db2.gz ONAKZULDHAZHNY-UHFFFAOYSA-N 1 2 255.281 0.923 20 30 CCEDLO C=CCOCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619890377 366370435 /nfs/dbraw/zinc/37/04/35/366370435.db2.gz UVAYUZIPRVIWSG-UHFFFAOYSA-N 1 2 282.384 0.760 20 30 CCEDLO C[C@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(C#N)c1 ZINC000359903052 356916844 /nfs/dbraw/zinc/91/68/44/356916844.db2.gz RUBLKKKUKIAFSJ-ZDUSSCGKSA-N 1 2 287.363 0.798 20 30 CCEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000401765830 357805424 /nfs/dbraw/zinc/80/54/24/357805424.db2.gz YKNZVVSKYOHGAP-UHFFFAOYSA-N 1 2 290.348 0.813 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084359 357911246 /nfs/dbraw/zinc/91/12/46/357911246.db2.gz OUXZZYNXZIXQIV-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084359 357911248 /nfs/dbraw/zinc/91/12/48/357911248.db2.gz OUXZZYNXZIXQIV-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000491661377 358296085 /nfs/dbraw/zinc/29/60/85/358296085.db2.gz AXMQXVSHUULZNI-WFASDCNBSA-N 1 2 287.363 0.543 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000491661377 358296090 /nfs/dbraw/zinc/29/60/90/358296090.db2.gz AXMQXVSHUULZNI-WFASDCNBSA-N 1 2 287.363 0.543 20 30 CCEDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220501 358557073 /nfs/dbraw/zinc/55/70/73/358557073.db2.gz PPMPACRPSCOIRB-ZDUSSCGKSA-N 1 2 291.311 0.872 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)nc1 ZINC000569115805 358736179 /nfs/dbraw/zinc/73/61/79/358736179.db2.gz ZNWKHXPYKOSTBP-UHFFFAOYSA-N 1 2 294.380 0.454 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204370 358833748 /nfs/dbraw/zinc/83/37/48/358833748.db2.gz QZDXDEGLFVTMGA-BXUZGUMPSA-N 1 2 263.341 0.868 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204370 358833750 /nfs/dbraw/zinc/83/37/50/358833750.db2.gz QZDXDEGLFVTMGA-BXUZGUMPSA-N 1 2 263.341 0.868 20 30 CCEDLO N#CCN1CCC(Nc2[nH+]cnc(-n3cccn3)c2N)CC1 ZINC000610968998 363640052 /nfs/dbraw/zinc/64/00/52/363640052.db2.gz RMGFWDIOJPXTRV-UHFFFAOYSA-N 1 2 298.354 0.644 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000588120548 359314115 /nfs/dbraw/zinc/31/41/15/359314115.db2.gz YAUATZUFIWAWKM-KOLCDFICSA-N 1 2 299.352 0.149 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000588120548 359314116 /nfs/dbraw/zinc/31/41/16/359314116.db2.gz YAUATZUFIWAWKM-KOLCDFICSA-N 1 2 299.352 0.149 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000589419947 359380966 /nfs/dbraw/zinc/38/09/66/359380966.db2.gz HLDYRMAJJIHEMY-UHFFFAOYSA-N 1 2 253.265 0.847 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000589177970 359365217 /nfs/dbraw/zinc/36/52/17/359365217.db2.gz NTVVTPLJKDALJJ-UHFFFAOYSA-N 1 2 256.265 0.927 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589180227 359366067 /nfs/dbraw/zinc/36/60/67/359366067.db2.gz WTFJIBQFKCYSNC-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000611080278 363656515 /nfs/dbraw/zinc/65/65/15/363656515.db2.gz YLOOYWQCNGSJKI-UHFFFAOYSA-N 1 2 270.336 0.725 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000589840595 359404690 /nfs/dbraw/zinc/40/46/90/359404690.db2.gz HQECCUXMLJTFJD-CYBMUJFWSA-N 1 2 286.335 0.500 20 30 CCEDLO C=C[C@@H]([NH2+]C[C@@H]1CC(=O)N(CCC)C1)C(=O)OC ZINC000591495695 359597946 /nfs/dbraw/zinc/59/79/46/359597946.db2.gz LNCRDYOIVNGHCZ-WDEREUQCSA-N 1 2 254.330 0.562 20 30 CCEDLO CNC(=O)C[C@]1(O)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591617973 359613833 /nfs/dbraw/zinc/61/38/33/359613833.db2.gz LOCRMVXKNYYURV-OAHLLOKOSA-N 1 2 288.351 0.729 20 30 CCEDLO COC[C@@]1(C(N)=O)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000591628446 359617307 /nfs/dbraw/zinc/61/73/07/359617307.db2.gz NMRLBMZXSOJGKZ-CYBMUJFWSA-N 1 2 263.297 0.618 20 30 CCEDLO COC[C@@]1(C(N)=O)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000591628446 359617312 /nfs/dbraw/zinc/61/73/12/359617312.db2.gz NMRLBMZXSOJGKZ-CYBMUJFWSA-N 1 2 263.297 0.618 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000591850803 359665018 /nfs/dbraw/zinc/66/50/18/359665018.db2.gz INNLCLLLQGMRQJ-GHMZBOCLSA-N 1 2 250.302 0.643 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000591850803 359665019 /nfs/dbraw/zinc/66/50/19/359665019.db2.gz INNLCLLLQGMRQJ-GHMZBOCLSA-N 1 2 250.302 0.643 20 30 CCEDLO COc1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)n1 ZINC000592154942 359772233 /nfs/dbraw/zinc/77/22/33/359772233.db2.gz WSPWEWGQDIOGKO-ZDUSSCGKSA-N 1 2 262.313 0.644 20 30 CCEDLO COc1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)n1 ZINC000592154942 359772238 /nfs/dbraw/zinc/77/22/38/359772238.db2.gz WSPWEWGQDIOGKO-ZDUSSCGKSA-N 1 2 262.313 0.644 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000592209771 359797968 /nfs/dbraw/zinc/79/79/68/359797968.db2.gz TXAKMSNSTFBOJH-QJPTWQEYSA-N 1 2 265.313 0.286 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000592209771 359797972 /nfs/dbraw/zinc/79/79/72/359797972.db2.gz TXAKMSNSTFBOJH-QJPTWQEYSA-N 1 2 265.313 0.286 20 30 CCEDLO C[N@H+](Cc1ccncc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000592126461 359760931 /nfs/dbraw/zinc/76/09/31/359760931.db2.gz OVOKKGLWCBYPND-GJZGRUSLSA-N 1 2 272.352 0.858 20 30 CCEDLO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000592126461 359760935 /nfs/dbraw/zinc/76/09/35/359760935.db2.gz OVOKKGLWCBYPND-GJZGRUSLSA-N 1 2 272.352 0.858 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147371 359766162 /nfs/dbraw/zinc/76/61/62/359766162.db2.gz KPGQAPSLDQGZIK-YRGRVCCFSA-N 1 2 281.356 0.021 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147371 359766167 /nfs/dbraw/zinc/76/61/67/359766167.db2.gz KPGQAPSLDQGZIK-YRGRVCCFSA-N 1 2 281.356 0.021 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297624417 200245068 /nfs/dbraw/zinc/24/50/68/200245068.db2.gz CQRSLDQHVVSLLF-UHFFFAOYSA-N 1 2 276.340 0.650 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cnc12 ZINC000592500041 359862139 /nfs/dbraw/zinc/86/21/39/359862139.db2.gz NKJNJERBLHXQEX-BETUJISGSA-N 1 2 269.308 0.964 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cnc12 ZINC000592500041 359862143 /nfs/dbraw/zinc/86/21/43/359862143.db2.gz NKJNJERBLHXQEX-BETUJISGSA-N 1 2 269.308 0.964 20 30 CCEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000611227080 363687938 /nfs/dbraw/zinc/68/79/38/363687938.db2.gz BXNDDZUNOSLGHF-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000298060228 200325267 /nfs/dbraw/zinc/32/52/67/200325267.db2.gz KYSYOOVUNZKBNJ-QWHCGFSZSA-N 1 2 290.367 0.937 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000593493661 360098419 /nfs/dbraw/zinc/09/84/19/360098419.db2.gz IGPKVYPPAAYXKD-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000593493659 360098610 /nfs/dbraw/zinc/09/86/10/360098610.db2.gz IGPKVYPPAAYXKD-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1nsc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1C#N ZINC000593503954 360100595 /nfs/dbraw/zinc/10/05/95/360100595.db2.gz NLSRRWVKUMUDOE-SNVBAGLBSA-N 1 2 264.354 0.578 20 30 CCEDLO Cc1nsc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1C#N ZINC000593503954 360100598 /nfs/dbraw/zinc/10/05/98/360100598.db2.gz NLSRRWVKUMUDOE-SNVBAGLBSA-N 1 2 264.354 0.578 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000593444309 360090369 /nfs/dbraw/zinc/09/03/69/360090369.db2.gz VCFYDEMZTQWLBZ-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000593444309 360090376 /nfs/dbraw/zinc/09/03/76/360090376.db2.gz VCFYDEMZTQWLBZ-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000593962817 360223889 /nfs/dbraw/zinc/22/38/89/360223889.db2.gz BADFRSCQQHWULV-ZDUSSCGKSA-N 1 2 279.365 0.962 20 30 CCEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000593962817 360223891 /nfs/dbraw/zinc/22/38/91/360223891.db2.gz BADFRSCQQHWULV-ZDUSSCGKSA-N 1 2 279.365 0.962 20 30 CCEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000594024233 360237551 /nfs/dbraw/zinc/23/75/51/360237551.db2.gz HBQJIVNUSMKPEO-GFCCVEGCSA-N 1 2 251.286 0.862 20 30 CCEDLO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1cccc(C#N)c1 ZINC000611387272 363711683 /nfs/dbraw/zinc/71/16/83/363711683.db2.gz IZQZPLVGDMRUAM-MRVPVSSYSA-N 1 2 269.312 0.419 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501745 363727551 /nfs/dbraw/zinc/72/75/51/363727551.db2.gz HWNVWUIHZPIQGP-NXEZZACHSA-N 1 2 257.309 0.678 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501745 363727557 /nfs/dbraw/zinc/72/75/57/363727557.db2.gz HWNVWUIHZPIQGP-NXEZZACHSA-N 1 2 257.309 0.678 20 30 CCEDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CCCC#N)[C@@H](C)CO1 ZINC000594816954 360388993 /nfs/dbraw/zinc/38/89/93/360388993.db2.gz MVXCEOHXPWBBFE-NWDGAFQWSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CCCC#N)[C@@H](C)CO1 ZINC000594816954 360388996 /nfs/dbraw/zinc/38/89/96/360388996.db2.gz MVXCEOHXPWBBFE-NWDGAFQWSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCC#N)c1[nH+]ccn1C ZINC000595382959 360515204 /nfs/dbraw/zinc/51/52/04/360515204.db2.gz MFBDMFXETSDVCE-SECBINFHSA-N 1 2 256.331 0.704 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552256 360577234 /nfs/dbraw/zinc/57/72/34/360577234.db2.gz RKQOFMJMFPDCTN-UKRRQHHQSA-N 1 2 293.415 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595459202 360540766 /nfs/dbraw/zinc/54/07/66/360540766.db2.gz WQYLLFZBHJYRIQ-KBPBESRZSA-N 1 2 274.320 0.709 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595459202 360540767 /nfs/dbraw/zinc/54/07/67/360540767.db2.gz WQYLLFZBHJYRIQ-KBPBESRZSA-N 1 2 274.320 0.709 20 30 CCEDLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835936 360673647 /nfs/dbraw/zinc/67/36/47/360673647.db2.gz VTTHXQWJTZZTGX-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835936 360673650 /nfs/dbraw/zinc/67/36/50/360673650.db2.gz VTTHXQWJTZZTGX-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO Cn1ncc(C#N)c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596167032 360819029 /nfs/dbraw/zinc/81/90/29/360819029.db2.gz CAWMAIVKSPFOAZ-GFCCVEGCSA-N 1 2 261.329 0.203 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@H](C)CO1 ZINC000596454827 360899344 /nfs/dbraw/zinc/89/93/44/360899344.db2.gz VIPCCXASRAIJRA-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)[C@H](C)CO1 ZINC000596454827 360899350 /nfs/dbraw/zinc/89/93/50/360899350.db2.gz VIPCCXASRAIJRA-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncncc1C#N ZINC000596426474 360890994 /nfs/dbraw/zinc/89/09/94/360890994.db2.gz AKDFWAJERBGNIT-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncncc1C#N ZINC000596426474 360890998 /nfs/dbraw/zinc/89/09/98/360890998.db2.gz AKDFWAJERBGNIT-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1F ZINC000596621027 360930365 /nfs/dbraw/zinc/93/03/65/360930365.db2.gz KCDHGRLCHNRMRL-PWSUYJOCSA-N 1 2 263.272 0.118 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1F ZINC000596621027 360930368 /nfs/dbraw/zinc/93/03/68/360930368.db2.gz KCDHGRLCHNRMRL-PWSUYJOCSA-N 1 2 263.272 0.118 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CCOCC1 ZINC000597160829 361018890 /nfs/dbraw/zinc/01/88/90/361018890.db2.gz MQRQDHWIGWYJTL-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CCOCC1 ZINC000597160829 361018894 /nfs/dbraw/zinc/01/88/94/361018894.db2.gz MQRQDHWIGWYJTL-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000597381348 361078515 /nfs/dbraw/zinc/07/85/15/361078515.db2.gz CTSCPGUCUSPXHC-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597543555 361134301 /nfs/dbraw/zinc/13/43/01/361134301.db2.gz AFOAPIBBZNKLAF-ZANVPECISA-N 1 2 262.288 0.979 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597543555 361134303 /nfs/dbraw/zinc/13/43/03/361134303.db2.gz AFOAPIBBZNKLAF-ZANVPECISA-N 1 2 262.288 0.979 20 30 CCEDLO N#CCC1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000598034015 361318888 /nfs/dbraw/zinc/31/88/88/361318888.db2.gz HTLYYGXFGHULFP-UHFFFAOYSA-N 1 2 299.378 0.576 20 30 CCEDLO N#CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342089 361392342 /nfs/dbraw/zinc/39/23/42/361392342.db2.gz DXBOKWMMTIDEGD-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598619523 361461627 /nfs/dbraw/zinc/46/16/27/361461627.db2.gz SEZHVTAKJABBBH-TUAOUCFPSA-N 1 2 293.371 0.867 20 30 CCEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598619523 361461633 /nfs/dbraw/zinc/46/16/33/361461633.db2.gz SEZHVTAKJABBBH-TUAOUCFPSA-N 1 2 293.371 0.867 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000598679837 361479822 /nfs/dbraw/zinc/47/98/22/361479822.db2.gz NMXNXKKYZSDKDR-MRXNPFEDSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000598679837 361479825 /nfs/dbraw/zinc/47/98/25/361479825.db2.gz NMXNXKKYZSDKDR-MRXNPFEDSA-N 1 2 298.390 0.954 20 30 CCEDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)CC(C)(C)C#N)n1 ZINC000598707684 361492374 /nfs/dbraw/zinc/49/23/74/361492374.db2.gz YWHUJSVRRHKKDB-SNVBAGLBSA-N 1 2 280.376 0.818 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C#N)ccn1 ZINC000598836600 361522936 /nfs/dbraw/zinc/52/29/36/361522936.db2.gz NVPAFYQFYAAQQE-ZDUSSCGKSA-N 1 2 257.297 0.527 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnn1C(F)F ZINC000598836117 361523053 /nfs/dbraw/zinc/52/30/53/361523053.db2.gz AJYOQHLYRXYIMZ-LLVKDONJSA-N 1 2 271.271 0.852 20 30 CCEDLO CCC(CC)CN(CCC#N)c1nc(N)[nH+]c(N)n1 ZINC000599058575 361563570 /nfs/dbraw/zinc/56/35/70/361563570.db2.gz JKCAHILUCRTWEN-UHFFFAOYSA-N 1 2 263.349 0.853 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000599193547 361607447 /nfs/dbraw/zinc/60/74/47/361607447.db2.gz LJASFYZJDBSYQP-DGCLKSJQSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000599193547 361607448 /nfs/dbraw/zinc/60/74/48/361607448.db2.gz LJASFYZJDBSYQP-DGCLKSJQSA-N 1 2 266.345 0.262 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1C#N ZINC000599277157 361629561 /nfs/dbraw/zinc/62/95/61/361629561.db2.gz KBJGJWFCYLLDOC-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1C#N ZINC000599277157 361629569 /nfs/dbraw/zinc/62/95/69/361629569.db2.gz KBJGJWFCYLLDOC-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599278048 361630434 /nfs/dbraw/zinc/63/04/34/361630434.db2.gz VTFDCZIRRRUVJQ-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599278048 361630440 /nfs/dbraw/zinc/63/04/40/361630440.db2.gz VTFDCZIRRRUVJQ-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599357520 361666794 /nfs/dbraw/zinc/66/67/94/361666794.db2.gz RBGYRUSGNSMMDM-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599357520 361666800 /nfs/dbraw/zinc/66/68/00/361666800.db2.gz RBGYRUSGNSMMDM-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000614116040 364506626 /nfs/dbraw/zinc/50/66/26/364506626.db2.gz AUEUBWOYHRUWPE-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000614419001 364599582 /nfs/dbraw/zinc/59/95/82/364599582.db2.gz PKHDZBBWSCUNLL-TZMCWYRMSA-N 1 2 288.355 0.333 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000614419001 364599588 /nfs/dbraw/zinc/59/95/88/364599588.db2.gz PKHDZBBWSCUNLL-TZMCWYRMSA-N 1 2 288.355 0.333 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614701512 364702318 /nfs/dbraw/zinc/70/23/18/364702318.db2.gz WGUIUAZKEXNPFB-TZMCWYRMSA-N 1 2 290.367 0.785 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCc3nnc(N)cc3C2)nc1 ZINC000565160712 291349321 /nfs/dbraw/zinc/34/93/21/291349321.db2.gz CVVMVSRKCRUGPG-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCc3nnc(N)cc3C2)nc1 ZINC000565160712 291349323 /nfs/dbraw/zinc/34/93/23/291349323.db2.gz CVVMVSRKCRUGPG-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626379852 368531113 /nfs/dbraw/zinc/53/11/13/368531113.db2.gz PSTLVYBMXMQWKA-NSHDSACASA-N 1 2 276.340 0.172 20 30 CCEDLO C=CCCN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632261888 370947386 /nfs/dbraw/zinc/94/73/86/370947386.db2.gz CBUPFXKCXDGRER-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO C=CCCN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632261888 370947389 /nfs/dbraw/zinc/94/73/89/370947389.db2.gz CBUPFXKCXDGRER-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373903 368973291 /nfs/dbraw/zinc/97/32/91/368973291.db2.gz FJNBMHDNBLYDQR-LBPRGKRZSA-N 1 2 276.340 0.765 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373903 368973293 /nfs/dbraw/zinc/97/32/93/368973293.db2.gz FJNBMHDNBLYDQR-LBPRGKRZSA-N 1 2 276.340 0.765 20 30 CCEDLO CC#CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276098481 193213930 /nfs/dbraw/zinc/21/39/30/193213930.db2.gz XMWVVTMSUIWYBC-UHFFFAOYSA-N 1 2 291.355 0.360 20 30 CCEDLO C=CCCn1cc(CNc2nc(N(C)C)nc(C)[nH+]2)nn1 ZINC000631313544 370469257 /nfs/dbraw/zinc/46/92/57/370469257.db2.gz QGRLWPDWSXHISO-UHFFFAOYSA-N 1 2 288.359 0.448 20 30 CCEDLO C=CCCn1cc(CNc2nc(C)[nH+]c(N(C)C)n2)nn1 ZINC000631313544 370469261 /nfs/dbraw/zinc/46/92/61/370469261.db2.gz QGRLWPDWSXHISO-UHFFFAOYSA-N 1 2 288.359 0.448 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000631678936 370634463 /nfs/dbraw/zinc/63/44/63/370634463.db2.gz PEXIXGRORZGLQS-ZDUSSCGKSA-N 1 2 282.384 0.494 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000636102568 373361105 /nfs/dbraw/zinc/36/11/05/373361105.db2.gz QFZVYUVNDFBYQO-RTXFEEFZSA-N 1 2 261.325 0.905 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638408281 375005276 /nfs/dbraw/zinc/00/52/76/375005276.db2.gz GBJNWVQOOJURPI-QWHCGFSZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCOCCN1CC[NH+](CCc2cnccn2)CC1 ZINC000640104230 376237440 /nfs/dbraw/zinc/23/74/40/376237440.db2.gz XSIRLZBXCHIIMT-UHFFFAOYSA-N 1 2 276.384 0.839 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640791882 376541792 /nfs/dbraw/zinc/54/17/92/376541792.db2.gz HZWURLBZTQFYSF-CYBMUJFWSA-N 1 2 293.371 0.364 20 30 CCEDLO C=CCN(CC=C)C(=O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640792123 376544051 /nfs/dbraw/zinc/54/40/51/376544051.db2.gz PLQZHZKETLTXBU-ZDUSSCGKSA-N 1 2 291.355 0.140 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccn(C)c(=O)c2)nn1 ZINC000640959003 376641526 /nfs/dbraw/zinc/64/15/26/376641526.db2.gz UTAPURXYIXWTKI-UHFFFAOYSA-N 1 2 271.324 0.138 20 30 CCEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)NCCC)CC1 ZINC000264498578 190113988 /nfs/dbraw/zinc/11/39/88/190113988.db2.gz UXTLMLMFSHHLTF-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)c(Cl)c1 ZINC000514869652 249109909 /nfs/dbraw/zinc/10/99/09/249109909.db2.gz DDGSTXKTQOVHHN-ZDUSSCGKSA-N 1 2 279.727 0.946 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC000265265218 190170673 /nfs/dbraw/zinc/17/06/73/190170673.db2.gz VCILJRDPQVHQHY-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC000265265218 190170674 /nfs/dbraw/zinc/17/06/74/190170674.db2.gz VCILJRDPQVHQHY-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(C)on2)CC1 ZINC000265334556 190175103 /nfs/dbraw/zinc/17/51/03/190175103.db2.gz NOQWTQWFOQFQNT-UHFFFAOYSA-N 1 2 297.380 0.454 20 30 CCEDLO C#CCC(CC#C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000278899459 194203101 /nfs/dbraw/zinc/20/31/01/194203101.db2.gz PODLCCUSHHFOKJ-UHFFFAOYSA-N 1 2 262.353 0.440 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278900210 194203367 /nfs/dbraw/zinc/20/33/67/194203367.db2.gz VHABJKJZUWNDKX-RYUDHWBXSA-N 1 2 295.726 0.188 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000116940501 260008768 /nfs/dbraw/zinc/00/87/68/260008768.db2.gz BWRAECCLUZRHEP-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000283910622 388771127 /nfs/dbraw/zinc/77/11/27/388771127.db2.gz DMQOQGJLHVBCKF-UHFFFAOYSA-N 1 2 276.340 0.408 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CO)CC1 ZINC000186354608 388833756 /nfs/dbraw/zinc/83/37/56/388833756.db2.gz WKCCLOIVEYIYGC-LBPRGKRZSA-N 1 2 273.336 0.756 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505593 388866573 /nfs/dbraw/zinc/86/65/73/388866573.db2.gz ZFCZDXWVHIXBFC-CYBMUJFWSA-N 1 2 290.367 0.239 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286956823 388847419 /nfs/dbraw/zinc/84/74/19/388847419.db2.gz OSBSAJTWWWCGEJ-GWCFXTLKSA-N 1 2 287.335 0.183 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286956823 388847423 /nfs/dbraw/zinc/84/74/23/388847423.db2.gz OSBSAJTWWWCGEJ-GWCFXTLKSA-N 1 2 287.335 0.183 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000287033502 388848033 /nfs/dbraw/zinc/84/80/33/388848033.db2.gz WFKBWAIJGUTGGX-UHFFFAOYSA-N 1 2 262.313 0.237 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047593241 388881066 /nfs/dbraw/zinc/88/10/66/388881066.db2.gz KBBSBAIEOMXSGG-LBPRGKRZSA-N 1 2 273.336 0.695 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047593241 388881070 /nfs/dbraw/zinc/88/10/70/388881070.db2.gz KBBSBAIEOMXSGG-LBPRGKRZSA-N 1 2 273.336 0.695 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000051857116 388927513 /nfs/dbraw/zinc/92/75/13/388927513.db2.gz JTYKYPYJCQFPTN-NSHDSACASA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000051857116 388927515 /nfs/dbraw/zinc/92/75/15/388927515.db2.gz JTYKYPYJCQFPTN-NSHDSACASA-N 1 2 280.372 0.205 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000293247737 388980437 /nfs/dbraw/zinc/98/04/37/388980437.db2.gz SZXIGZVLDKNEOD-UHFFFAOYSA-N 1 2 280.368 0.934 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000293247737 388980442 /nfs/dbraw/zinc/98/04/42/388980442.db2.gz SZXIGZVLDKNEOD-UHFFFAOYSA-N 1 2 280.368 0.934 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080980501 388999888 /nfs/dbraw/zinc/99/98/88/388999888.db2.gz BMLBPHQUPCKCSB-SNVBAGLBSA-N 1 2 277.328 0.309 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080980501 388999889 /nfs/dbraw/zinc/99/98/89/388999889.db2.gz BMLBPHQUPCKCSB-SNVBAGLBSA-N 1 2 277.328 0.309 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000354279191 389019693 /nfs/dbraw/zinc/01/96/93/389019693.db2.gz MUIHUWGEGQKICA-HOCLYGCPSA-N 1 2 295.427 0.552 20 30 CCEDLO C#CC[NH+]1CCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000301545372 389053298 /nfs/dbraw/zinc/05/32/98/389053298.db2.gz LAEIYZFIKUOCBO-UHFFFAOYSA-N 1 2 270.340 0.496 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)CS(C)(=O)=O)C1=O ZINC000337232849 389056846 /nfs/dbraw/zinc/05/68/46/389056846.db2.gz VXPGAVXJWYZMKJ-NWDGAFQWSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@H](C)CS(C)(=O)=O)C1=O ZINC000337232849 389056850 /nfs/dbraw/zinc/05/68/50/389056850.db2.gz VXPGAVXJWYZMKJ-NWDGAFQWSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC2CCC2)C1=O ZINC000337238926 389058028 /nfs/dbraw/zinc/05/80/28/389058028.db2.gz ZNIRESMLCGRTCH-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC2CCC2)C1=O ZINC000337238926 389058030 /nfs/dbraw/zinc/05/80/30/389058030.db2.gz ZNIRESMLCGRTCH-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000102400092 389074875 /nfs/dbraw/zinc/07/48/75/389074875.db2.gz PRAZIBMBNLGNFK-UHFFFAOYSA-N 1 2 259.375 0.648 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338183167 389086175 /nfs/dbraw/zinc/08/61/75/389086175.db2.gz XDPIZIPGYQZBLR-NSHDSACASA-N 1 2 256.346 0.150 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)[NH+]1CCOCC1 ZINC000328908446 389144921 /nfs/dbraw/zinc/14/49/21/389144921.db2.gz MBVSAVKSEVPSRX-SDDRHHMPSA-N 1 2 254.330 0.601 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587653 389112736 /nfs/dbraw/zinc/11/27/36/389112736.db2.gz KTRCGOPXYADHGF-JQWIXIFHSA-N 1 2 269.320 0.344 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587653 389112741 /nfs/dbraw/zinc/11/27/41/389112741.db2.gz KTRCGOPXYADHGF-JQWIXIFHSA-N 1 2 269.320 0.344 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000328751267 389135334 /nfs/dbraw/zinc/13/53/34/389135334.db2.gz QXCBDMQHTWQALB-UHFFFAOYSA-N 1 2 284.360 0.283 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCNC(=O)C2)CCO1 ZINC000328751267 389135337 /nfs/dbraw/zinc/13/53/37/389135337.db2.gz QXCBDMQHTWQALB-UHFFFAOYSA-N 1 2 284.360 0.283 20 30 CCEDLO CC(C)(C(=O)NCCNc1cnccn1)[NH+]1CCOCC1 ZINC000328757504 389136121 /nfs/dbraw/zinc/13/61/21/389136121.db2.gz VCHLRJAUXYKCKK-UHFFFAOYSA-N 1 2 293.371 0.378 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000328795426 389138705 /nfs/dbraw/zinc/13/87/05/389138705.db2.gz TZUZQMALXBBQFD-TZMCWYRMSA-N 1 2 269.389 0.740 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000328795426 389138707 /nfs/dbraw/zinc/13/87/07/389138707.db2.gz TZUZQMALXBBQFD-TZMCWYRMSA-N 1 2 269.389 0.740 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328832096 389140295 /nfs/dbraw/zinc/14/02/95/389140295.db2.gz VORQEGQQFHKPPZ-VHSXEESVSA-N 1 2 255.318 0.783 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328832096 389140300 /nfs/dbraw/zinc/14/03/00/389140300.db2.gz VORQEGQQFHKPPZ-VHSXEESVSA-N 1 2 255.318 0.783 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328851237 389141858 /nfs/dbraw/zinc/14/18/58/389141858.db2.gz UZZCUVDJIDIWMJ-MGPQQGTHSA-N 1 2 296.415 0.303 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328851237 389141862 /nfs/dbraw/zinc/14/18/62/389141862.db2.gz UZZCUVDJIDIWMJ-MGPQQGTHSA-N 1 2 296.415 0.303 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000339931431 389142593 /nfs/dbraw/zinc/14/25/93/389142593.db2.gz SAIFTKNVDHZRBL-UHFFFAOYSA-N 1 2 286.335 0.637 20 30 CCEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1c[nH+]cn1C ZINC000329678452 389187255 /nfs/dbraw/zinc/18/72/55/389187255.db2.gz VPMQYEVNGMVBOV-JOYOIKCWSA-N 1 2 252.318 0.991 20 30 CCEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCCC#N ZINC000360261539 389194821 /nfs/dbraw/zinc/19/48/21/389194821.db2.gz MYELZBOGBYPNKF-UHFFFAOYSA-N 1 2 297.355 0.014 20 30 CCEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)NCC#N ZINC000342070907 389196346 /nfs/dbraw/zinc/19/63/46/389196346.db2.gz MQSBEUGABWSKPV-LLVKDONJSA-N 1 2 274.324 0.175 20 30 CCEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)NCC#N ZINC000342070907 389196350 /nfs/dbraw/zinc/19/63/50/389196350.db2.gz MQSBEUGABWSKPV-LLVKDONJSA-N 1 2 274.324 0.175 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000329792887 389201623 /nfs/dbraw/zinc/20/16/23/389201623.db2.gz VIGSWXXURJEOJF-UMSGYPCISA-N 1 2 284.356 0.325 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000329792887 389201624 /nfs/dbraw/zinc/20/16/24/389201624.db2.gz VIGSWXXURJEOJF-UMSGYPCISA-N 1 2 284.356 0.325 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329407443 389162739 /nfs/dbraw/zinc/16/27/39/389162739.db2.gz XMIFTIXKGSORJU-MGPQQGTHSA-N 1 2 299.415 0.773 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329407441 389162772 /nfs/dbraw/zinc/16/27/72/389162772.db2.gz XMIFTIXKGSORJU-HZSPNIEDSA-N 1 2 299.415 0.773 20 30 CCEDLO N#CCC1(CS(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC000329563237 389171386 /nfs/dbraw/zinc/17/13/86/389171386.db2.gz GSEXUSOGHQAJOD-UHFFFAOYSA-N 1 2 268.342 0.496 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330597387 389245143 /nfs/dbraw/zinc/24/51/43/389245143.db2.gz CURLSPMXRJZKRN-SNVBAGLBSA-N 1 2 295.339 0.821 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330597387 389245144 /nfs/dbraw/zinc/24/51/44/389245144.db2.gz CURLSPMXRJZKRN-SNVBAGLBSA-N 1 2 295.339 0.821 20 30 CCEDLO COCCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330647516 389248944 /nfs/dbraw/zinc/24/89/44/389248944.db2.gz VJNZDKXQQRAFRE-VXGBXAGGSA-N 1 2 273.377 0.588 20 30 CCEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)c(C)c1 ZINC000136069657 389264078 /nfs/dbraw/zinc/26/40/78/389264078.db2.gz GLVJJTNXCUCWKA-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@]2(CCOC2)O1 ZINC000330161901 389217595 /nfs/dbraw/zinc/21/75/95/389217595.db2.gz UENZNQBPVAXLNU-YGRLFVJLSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@]2(CCOC2)O1 ZINC000330161901 389217598 /nfs/dbraw/zinc/21/75/98/389217598.db2.gz UENZNQBPVAXLNU-YGRLFVJLSA-N 1 2 297.355 0.899 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000361522064 389218393 /nfs/dbraw/zinc/21/83/93/389218393.db2.gz MJIVXDMONAQZJX-KBPBESRZSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361522064 389218396 /nfs/dbraw/zinc/21/83/96/389218396.db2.gz MJIVXDMONAQZJX-KBPBESRZSA-N 1 2 297.399 0.732 20 30 CCEDLO CC#CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000361646154 389221998 /nfs/dbraw/zinc/22/19/98/389221998.db2.gz GPQHHKYPPKXJII-UHFFFAOYSA-N 1 2 289.383 0.661 20 30 CCEDLO C[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)n1cnc(C#N)n1 ZINC000342573058 389223498 /nfs/dbraw/zinc/22/34/98/389223498.db2.gz RZEGSYWJCAPPNH-SNVBAGLBSA-N 1 2 299.338 0.488 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)CO)CCC2 ZINC000330386745 389223655 /nfs/dbraw/zinc/22/36/55/389223655.db2.gz BGPFXLGROZAQTA-QWRGUYRKSA-N 1 2 266.345 0.953 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342638743 389233092 /nfs/dbraw/zinc/23/30/92/389233092.db2.gz NHZIISRIWSQXOJ-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342638743 389233095 /nfs/dbraw/zinc/23/30/95/389233095.db2.gz NHZIISRIWSQXOJ-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO CCN(C(=O)NCC[NH+]1CCN(C(C)=O)CC1)C(C)C ZINC000330473140 389233598 /nfs/dbraw/zinc/23/35/98/389233598.db2.gz ZKEBVBXBHAATFZ-UHFFFAOYSA-N 1 2 284.404 0.795 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330473176 389233783 /nfs/dbraw/zinc/23/37/83/389233783.db2.gz QAFBAFAVAAQFKB-UHFFFAOYSA-N 1 2 281.360 0.713 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330473176 389233786 /nfs/dbraw/zinc/23/37/86/389233786.db2.gz QAFBAFAVAAQFKB-UHFFFAOYSA-N 1 2 281.360 0.713 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247091438 389235860 /nfs/dbraw/zinc/23/58/60/389235860.db2.gz JMKPKZKQPRNBHY-YNEHKIRRSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247091438 389235861 /nfs/dbraw/zinc/23/58/61/389235861.db2.gz JMKPKZKQPRNBHY-YNEHKIRRSA-N 1 2 266.341 0.004 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330534905 389239017 /nfs/dbraw/zinc/23/90/17/389239017.db2.gz OXWSLLCJSGXIAD-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330534905 389239020 /nfs/dbraw/zinc/23/90/20/389239020.db2.gz OXWSLLCJSGXIAD-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330534906 389239216 /nfs/dbraw/zinc/23/92/16/389239216.db2.gz OXWSLLCJSGXIAD-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330534906 389239218 /nfs/dbraw/zinc/23/92/18/389239218.db2.gz OXWSLLCJSGXIAD-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000366924758 389312623 /nfs/dbraw/zinc/31/26/23/389312623.db2.gz YKTJPDHGEHPRMH-ZDUSSCGKSA-N 1 2 287.367 0.045 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000155242784 389318941 /nfs/dbraw/zinc/31/89/41/389318941.db2.gz LSIRGHXXIBFSSP-RYUDHWBXSA-N 1 2 294.399 0.593 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000155242784 389318943 /nfs/dbraw/zinc/31/89/43/389318943.db2.gz LSIRGHXXIBFSSP-RYUDHWBXSA-N 1 2 294.399 0.593 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157447647 389331719 /nfs/dbraw/zinc/33/17/19/389331719.db2.gz DBUAVZIBAJFFDF-CYBMUJFWSA-N 1 2 296.415 0.699 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157447647 389331720 /nfs/dbraw/zinc/33/17/20/389331720.db2.gz DBUAVZIBAJFFDF-CYBMUJFWSA-N 1 2 296.415 0.699 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000332087601 389334865 /nfs/dbraw/zinc/33/48/65/389334865.db2.gz IMRVRMHISTWBQU-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO CO[C@H](C)[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330977721 389270355 /nfs/dbraw/zinc/27/03/55/389270355.db2.gz LFLFUPGUVACIIB-QJPTWQEYSA-N 1 2 272.393 0.159 20 30 CCEDLO CO[C@H](C)[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330977721 389270357 /nfs/dbraw/zinc/27/03/57/389270357.db2.gz LFLFUPGUVACIIB-QJPTWQEYSA-N 1 2 272.393 0.159 20 30 CCEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C#N)CC1 ZINC000145649454 389272713 /nfs/dbraw/zinc/27/27/13/389272713.db2.gz YTWVGZJGJRUKOE-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000330993573 389276039 /nfs/dbraw/zinc/27/60/39/389276039.db2.gz NPRVSUQICICISA-CHWSQXEVSA-N 1 2 291.399 0.779 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000330993573 389276042 /nfs/dbraw/zinc/27/60/42/389276042.db2.gz NPRVSUQICICISA-CHWSQXEVSA-N 1 2 291.399 0.779 20 30 CCEDLO C[C@@H]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000151228111 389276360 /nfs/dbraw/zinc/27/63/60/389276360.db2.gz JGICUJFMCQLXEV-KGLIPLIRSA-N 1 2 295.383 0.628 20 30 CCEDLO C#CCNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159784060 389373805 /nfs/dbraw/zinc/37/38/05/389373805.db2.gz WCPXBAVHUFWQKC-LLVKDONJSA-N 1 2 256.371 0.190 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272532672 389468600 /nfs/dbraw/zinc/46/86/00/389468600.db2.gz IRYNXLGMCANOOC-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272532672 389468602 /nfs/dbraw/zinc/46/86/02/389468602.db2.gz IRYNXLGMCANOOC-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO Cn1c(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)n(C)c1=O ZINC000171939790 389482437 /nfs/dbraw/zinc/48/24/37/389482437.db2.gz ONFUYWXJYAYAEQ-UHFFFAOYSA-N 1 2 292.383 0.846 20 30 CCEDLO Cn1c(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)n(C)c1=O ZINC000171939790 389482440 /nfs/dbraw/zinc/48/24/40/389482440.db2.gz ONFUYWXJYAYAEQ-UHFFFAOYSA-N 1 2 292.383 0.846 20 30 CCEDLO N#C[C@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC12CCCC2 ZINC000333582380 389430094 /nfs/dbraw/zinc/43/00/94/389430094.db2.gz RPXUTVQUCJZUKP-BBRMVZONSA-N 1 2 288.395 0.576 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c[nH+]cn1C ZINC000349804839 389438362 /nfs/dbraw/zinc/43/83/62/389438362.db2.gz VWAAVYMTLPCWEZ-SNVBAGLBSA-N 1 2 285.373 0.236 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000174211210 389516915 /nfs/dbraw/zinc/51/69/15/389516915.db2.gz ACSYRLCIBHGCEW-UHFFFAOYSA-N 1 2 265.313 0.858 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000373810313 389518204 /nfs/dbraw/zinc/51/82/04/389518204.db2.gz BRWOGSGPGMNPDJ-LBPRGKRZSA-N 1 2 282.369 0.020 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000373810313 389518207 /nfs/dbraw/zinc/51/82/07/389518207.db2.gz BRWOGSGPGMNPDJ-LBPRGKRZSA-N 1 2 282.369 0.020 20 30 CCEDLO Cc1nc2n(n1)CC[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000276804435 389541504 /nfs/dbraw/zinc/54/15/04/389541504.db2.gz WJTRXBAPYCYGCI-UHFFFAOYSA-N 1 2 256.313 0.813 20 30 CCEDLO Cc1nc2n(n1)CC[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000276804435 389541508 /nfs/dbraw/zinc/54/15/08/389541508.db2.gz WJTRXBAPYCYGCI-UHFFFAOYSA-N 1 2 256.313 0.813 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175891668 389547867 /nfs/dbraw/zinc/54/78/67/389547867.db2.gz GIUOLTOYBFUUSN-NSHDSACASA-N 1 2 256.265 0.699 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3cnccn23)C1=O ZINC000281371093 389614604 /nfs/dbraw/zinc/61/46/04/389614604.db2.gz VOJBYMOCZREWIG-CYBMUJFWSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3cnccn23)C1=O ZINC000281371093 389614606 /nfs/dbraw/zinc/61/46/06/389614606.db2.gz VOJBYMOCZREWIG-CYBMUJFWSA-N 1 2 285.351 0.948 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000178147725 389598872 /nfs/dbraw/zinc/59/88/72/389598872.db2.gz PEJKQIVIXRTTGX-LLVKDONJSA-N 1 2 289.335 0.664 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2C(N)=O)C1=O ZINC000282039360 389649263 /nfs/dbraw/zinc/64/92/63/389649263.db2.gz QSGIJJPBKRBFBJ-MNOVXSKESA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2C(N)=O)C1=O ZINC000282039360 389649266 /nfs/dbraw/zinc/64/92/66/389649266.db2.gz QSGIJJPBKRBFBJ-MNOVXSKESA-N 1 2 251.330 0.113 20 30 CCEDLO CC[C@](C)([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000428303232 389690826 /nfs/dbraw/zinc/69/08/26/389690826.db2.gz OYAXZFKFHVHLTH-ZDUSSCGKSA-N 1 2 269.345 0.680 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccccn1 ZINC000429669955 389763659 /nfs/dbraw/zinc/76/36/59/389763659.db2.gz IKJSZWJTVNCFEW-OAHLLOKOSA-N 1 2 291.351 0.752 20 30 CCEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416496538 389748802 /nfs/dbraw/zinc/74/88/02/389748802.db2.gz PKRURZBLBCVFGH-GHMZBOCLSA-N 1 2 259.375 0.644 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416496538 389748804 /nfs/dbraw/zinc/74/88/04/389748804.db2.gz PKRURZBLBCVFGH-GHMZBOCLSA-N 1 2 259.375 0.644 20 30 CCEDLO CC(C)[C@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]1CCOCC1 ZINC000352415257 389807238 /nfs/dbraw/zinc/80/72/38/389807238.db2.gz XEAODNOVKWOIFW-NEPJUHHUSA-N 1 2 289.401 0.175 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443743885 389884190 /nfs/dbraw/zinc/88/41/90/389884190.db2.gz GBTBYEYBWKKSRM-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO N#Cc1csc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000443853294 389886302 /nfs/dbraw/zinc/88/63/02/389886302.db2.gz NEWSDYSIZHUPNH-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000443853294 389886303 /nfs/dbraw/zinc/88/63/03/389886303.db2.gz NEWSDYSIZHUPNH-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433301772 389908189 /nfs/dbraw/zinc/90/81/89/389908189.db2.gz WEAXMQJGCUTYHV-VIFPVBQESA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433301772 389908191 /nfs/dbraw/zinc/90/81/91/389908191.db2.gz WEAXMQJGCUTYHV-VIFPVBQESA-N 1 2 254.334 0.702 20 30 CCEDLO Cn1c(C[N@H+](C)CC(C)(C)C#N)cc(=O)n(C)c1=O ZINC000433303634 389908247 /nfs/dbraw/zinc/90/82/47/389908247.db2.gz LKHWTKTVJDWDKJ-UHFFFAOYSA-N 1 2 264.329 0.066 20 30 CCEDLO Cn1c(C[N@@H+](C)CC(C)(C)C#N)cc(=O)n(C)c1=O ZINC000433303634 389908248 /nfs/dbraw/zinc/90/82/48/389908248.db2.gz LKHWTKTVJDWDKJ-UHFFFAOYSA-N 1 2 264.329 0.066 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000438711810 390010050 /nfs/dbraw/zinc/01/00/50/390010050.db2.gz GUSKMMXFGBFZFA-QWHCGFSZSA-N 1 2 298.412 0.691 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000438711810 390010051 /nfs/dbraw/zinc/01/00/51/390010051.db2.gz GUSKMMXFGBFZFA-QWHCGFSZSA-N 1 2 298.412 0.691 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)ncc1C#N ZINC000457531265 390045901 /nfs/dbraw/zinc/04/59/01/390045901.db2.gz GOBKCSRWWBWSTO-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ncc1C#N ZINC000457531265 390045903 /nfs/dbraw/zinc/04/59/03/390045903.db2.gz GOBKCSRWWBWSTO-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440291240 390034781 /nfs/dbraw/zinc/03/47/81/390034781.db2.gz NRDFWBCRYGRXJW-NSHDSACASA-N 1 2 286.335 0.659 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440291240 390034782 /nfs/dbraw/zinc/03/47/82/390034782.db2.gz NRDFWBCRYGRXJW-NSHDSACASA-N 1 2 286.335 0.659 20 30 CCEDLO N#CCCn1ccc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000492858191 390118495 /nfs/dbraw/zinc/11/84/95/390118495.db2.gz FGXDQAIIJIMFJS-IHWYPQMZSA-N 1 2 256.269 0.594 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccncn1 ZINC000492943309 390118640 /nfs/dbraw/zinc/11/86/40/390118640.db2.gz BISJWTULSDJSQH-IHVVCDCBSA-N 1 2 259.313 0.450 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491382201 390112720 /nfs/dbraw/zinc/11/27/20/390112720.db2.gz HWDBTZHLJCJMNL-QWHCGFSZSA-N 1 2 271.382 0.534 20 30 CCEDLO C#CC[N@H+](C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491382201 390112721 /nfs/dbraw/zinc/11/27/21/390112721.db2.gz HWDBTZHLJCJMNL-QWHCGFSZSA-N 1 2 271.382 0.534 20 30 CCEDLO Cc1cc(NC(=O)N2CCO[C@@H](C#N)C2)c(C)c[nH+]1 ZINC000536619771 390168140 /nfs/dbraw/zinc/16/81/40/390168140.db2.gz AHALDVAKDNOREK-NSHDSACASA-N 1 2 260.297 0.877 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000538711983 390197482 /nfs/dbraw/zinc/19/74/82/390197482.db2.gz CUKYLFQXWRTSJB-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000538711983 390197483 /nfs/dbraw/zinc/19/74/83/390197483.db2.gz CUKYLFQXWRTSJB-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO COCCN1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000543717999 390289971 /nfs/dbraw/zinc/28/99/71/390289971.db2.gz PQGWNZBAIOYCJK-NSHDSACASA-N 1 2 279.340 0.386 20 30 CCEDLO CC(=O)N1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000583266003 390278615 /nfs/dbraw/zinc/27/86/15/390278615.db2.gz AZIJEBLGWRVCJW-GXTWGEPZSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000645076954 390367725 /nfs/dbraw/zinc/36/77/25/390367725.db2.gz YNZUTQBKELYUGI-UHFFFAOYSA-N 1 2 277.368 0.986 20 30 CCEDLO CCC[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000583879970 390320949 /nfs/dbraw/zinc/32/09/49/390320949.db2.gz IXPONMKXLOPUJZ-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000583879970 390320953 /nfs/dbraw/zinc/32/09/53/390320953.db2.gz IXPONMKXLOPUJZ-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccncc1C#N ZINC000596430249 390369642 /nfs/dbraw/zinc/36/96/42/390369642.db2.gz KSIWQEOWJSVCSX-NEPJUHHUSA-N 1 2 260.341 0.896 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccncc1C#N ZINC000596430249 390369645 /nfs/dbraw/zinc/36/96/45/390369645.db2.gz KSIWQEOWJSVCSX-NEPJUHHUSA-N 1 2 260.341 0.896 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000584478700 390348969 /nfs/dbraw/zinc/34/89/69/390348969.db2.gz ZJAOYWNEZYYMTO-UHFFFAOYSA-N 1 2 278.356 0.057 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000645529591 390441757 /nfs/dbraw/zinc/44/17/57/390441757.db2.gz KCVPMLXNULJGAS-TUAOUCFPSA-N 1 2 276.340 0.962 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C#N)CCO1 ZINC000562366884 390488413 /nfs/dbraw/zinc/48/84/13/390488413.db2.gz PIZHQDMKSJZDKU-RYUDHWBXSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C#N)CCO1 ZINC000562366884 390488418 /nfs/dbraw/zinc/48/84/18/390488418.db2.gz PIZHQDMKSJZDKU-RYUDHWBXSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000563900356 390494169 /nfs/dbraw/zinc/49/41/69/390494169.db2.gz SNPCJTXVQRRVDE-CYBMUJFWSA-N 1 2 268.361 0.251 20 30 CCEDLO CC[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000563900356 390494171 /nfs/dbraw/zinc/49/41/71/390494171.db2.gz SNPCJTXVQRRVDE-CYBMUJFWSA-N 1 2 268.361 0.251 20 30 CCEDLO COc1ncccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000515488358 390476690 /nfs/dbraw/zinc/47/66/90/390476690.db2.gz SMHWXHXWSFKJBP-ZDUSSCGKSA-N 1 2 262.313 0.664 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000566833041 390651793 /nfs/dbraw/zinc/65/17/93/390651793.db2.gz LHXNJARGZNEPNP-LBPRGKRZSA-N 1 2 287.367 0.552 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000646118397 390606991 /nfs/dbraw/zinc/60/69/91/390606991.db2.gz DXUQVTZNEWJZBI-CQSZACIVSA-N 1 2 263.385 0.686 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000646118397 390606996 /nfs/dbraw/zinc/60/69/96/390606996.db2.gz DXUQVTZNEWJZBI-CQSZACIVSA-N 1 2 263.385 0.686 20 30 CCEDLO C=CCCCCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000568295083 390713249 /nfs/dbraw/zinc/71/32/49/390713249.db2.gz PGHRXZJFBDDCMP-UHFFFAOYSA-N 1 2 278.356 0.899 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000646621394 390700864 /nfs/dbraw/zinc/70/08/64/390700864.db2.gz AEHZZWYCNGDRDM-GFCCVEGCSA-N 1 2 261.325 0.845 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000528399464 390741334 /nfs/dbraw/zinc/74/13/34/390741334.db2.gz XIQKHYKEVWGUCT-LBPRGKRZSA-N 1 2 263.341 0.348 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000528399464 390741336 /nfs/dbraw/zinc/74/13/36/390741336.db2.gz XIQKHYKEVWGUCT-LBPRGKRZSA-N 1 2 263.341 0.348 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC#N)CC1CC1 ZINC000532568707 390881014 /nfs/dbraw/zinc/88/10/14/390881014.db2.gz MJYGCUNJMZMABL-SNVBAGLBSA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC#N)CC1CC1 ZINC000532568707 390881017 /nfs/dbraw/zinc/88/10/17/390881017.db2.gz MJYGCUNJMZMABL-SNVBAGLBSA-N 1 2 266.345 0.846 20 30 CCEDLO C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH+]1CCOCC1 ZINC000329160445 533362007 /nfs/dbraw/zinc/36/20/07/533362007.db2.gz YGBKZHRPRCONLI-VIFPVBQESA-N 1 2 290.327 0.378 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000658411230 413141206 /nfs/dbraw/zinc/14/12/06/413141206.db2.gz GPCXEDOAUZEJFK-AWEZNQCLSA-N 1 2 293.411 0.965 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2[C@@H](C)C2(F)F)c1C#N ZINC000545188850 285853207 /nfs/dbraw/zinc/85/32/07/285853207.db2.gz NCCSMAWRGOEIAU-XCBNKYQSSA-N 1 2 297.309 0.695 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)nn1 ZINC000653594479 412322994 /nfs/dbraw/zinc/32/29/94/412322994.db2.gz VHWOGBLASGFMRU-SNVBAGLBSA-N 1 2 264.333 0.097 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)nn1 ZINC000653594479 412322998 /nfs/dbraw/zinc/32/29/98/412322998.db2.gz VHWOGBLASGFMRU-SNVBAGLBSA-N 1 2 264.333 0.097 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)nn1 ZINC000653637563 412327460 /nfs/dbraw/zinc/32/74/60/412327460.db2.gz OFERJSKRMBEVRC-DGCLKSJQSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)nn1 ZINC000653637563 412327462 /nfs/dbraw/zinc/32/74/62/412327462.db2.gz OFERJSKRMBEVRC-DGCLKSJQSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000660128582 414134235 /nfs/dbraw/zinc/13/42/35/414134235.db2.gz PVFONNCDACGAIS-UHFFFAOYSA-N 1 2 290.367 0.958 20 30 CCEDLO C=CCNC(=O)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660998132 414542201 /nfs/dbraw/zinc/54/22/01/414542201.db2.gz YOKXOLGNAFEOAX-VIFPVBQESA-N 1 2 265.317 0.083 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662094677 414691018 /nfs/dbraw/zinc/69/10/18/414691018.db2.gz NKHSJYSWJPJRGP-VHSXEESVSA-N 1 2 252.318 0.717 20 30 CCEDLO C=CCOCCCNc1[nH+]cnc2c1OCCN2 ZINC000664389102 415371012 /nfs/dbraw/zinc/37/10/12/415371012.db2.gz WAFXUAIPZXLKAF-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO C=CCOCCCNc1nc[nH+]c2c1OCCN2 ZINC000664389102 415371015 /nfs/dbraw/zinc/37/10/15/415371015.db2.gz WAFXUAIPZXLKAF-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664703738 415451971 /nfs/dbraw/zinc/45/19/71/415451971.db2.gz KNYMZERYEPIEIQ-CYBMUJFWSA-N 1 2 265.357 0.516 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000665633186 416469879 /nfs/dbraw/zinc/46/98/79/416469879.db2.gz VNAOITCNOLBAIJ-LBPRGKRZSA-N 1 2 250.298 0.471 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162617 226065299 /nfs/dbraw/zinc/06/52/99/226065299.db2.gz IDHKPVHHNFJQMH-MLCYQJTMSA-N 1 2 271.386 0.248 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162617 226065304 /nfs/dbraw/zinc/06/53/04/226065304.db2.gz IDHKPVHHNFJQMH-MLCYQJTMSA-N 1 2 271.386 0.248 20 30 CCEDLO Cc1noc(CNC(=O)N(C)CC[NH+]2CCOCC2)n1 ZINC000329124623 227312511 /nfs/dbraw/zinc/31/25/11/227312511.db2.gz SKUFSEWNDQUODD-UHFFFAOYSA-N 1 2 283.332 0.056 20 30 CCEDLO C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH+]1CCOCC1 ZINC000329160444 227333560 /nfs/dbraw/zinc/33/35/60/227333560.db2.gz YGBKZHRPRCONLI-SECBINFHSA-N 1 2 290.327 0.378 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCSC1 ZINC000329778753 227945317 /nfs/dbraw/zinc/94/53/17/227945317.db2.gz QLBNMJDSONQQQV-MNOVXSKESA-N 1 2 273.402 0.716 20 30 CCEDLO Cc1nnsc1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000330259387 228083379 /nfs/dbraw/zinc/08/33/79/228083379.db2.gz NJKDOZMVNYXMAT-UHFFFAOYSA-N 1 2 278.341 0.973 20 30 CCEDLO CC(C)(CNC(=O)N[C@H]1CCCNC1=O)[NH+]1CCOCC1 ZINC000328701901 545019294 /nfs/dbraw/zinc/01/92/94/545019294.db2.gz WXVGXFIMWLYTHF-NSHDSACASA-N 1 2 298.387 0.720 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCCO1 ZINC000329028515 545021007 /nfs/dbraw/zinc/02/10/07/545021007.db2.gz WJPNJNBRUQSFIO-RDBSUJKOSA-N 1 2 297.399 0.874 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCOCC1 ZINC000329294018 545021583 /nfs/dbraw/zinc/02/15/83/545021583.db2.gz RUBJRLUZVOZUNO-OCCSQVGLSA-N 1 2 297.399 0.874 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988385 260151402 /nfs/dbraw/zinc/15/14/02/260151402.db2.gz CGGXWCHLKXPJFZ-VXGBXAGGSA-N 1 2 271.386 0.646 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357298691 260176102 /nfs/dbraw/zinc/17/61/02/260176102.db2.gz FBRFZEOSVKQKHC-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357298691 260176104 /nfs/dbraw/zinc/17/61/04/260176104.db2.gz FBRFZEOSVKQKHC-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000068430888 260256256 /nfs/dbraw/zinc/25/62/56/260256256.db2.gz HQLUXQIAVOVCHT-LLVKDONJSA-N 1 2 256.265 0.699 20 30 CCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448897269 261142893 /nfs/dbraw/zinc/14/28/93/261142893.db2.gz QBGNHYJJSLOGPI-FZMZJTMJSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448897269 261142892 /nfs/dbraw/zinc/14/28/92/261142892.db2.gz QBGNHYJJSLOGPI-FZMZJTMJSA-N 1 2 265.357 0.763 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1nccs1 ZINC000161338774 261244458 /nfs/dbraw/zinc/24/44/58/261244458.db2.gz WQRUERVNPLGDGK-UHFFFAOYSA-N 1 2 256.331 0.264 20 30 CCEDLO CC(C)(CNC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000106328234 261369705 /nfs/dbraw/zinc/36/97/05/261369705.db2.gz WAKWWQKCFMWVSS-LBPRGKRZSA-N 1 2 296.371 0.031 20 30 CCEDLO CC(C)(CNC(=O)N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000106328232 261369940 /nfs/dbraw/zinc/36/99/40/261369940.db2.gz WAKWWQKCFMWVSS-GFCCVEGCSA-N 1 2 296.371 0.031 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000186888560 262115018 /nfs/dbraw/zinc/11/50/18/262115018.db2.gz PKMJDDRFOXSVIS-NVXWUHKLSA-N 1 2 299.374 0.884 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000186888560 262115020 /nfs/dbraw/zinc/11/50/20/262115020.db2.gz PKMJDDRFOXSVIS-NVXWUHKLSA-N 1 2 299.374 0.884 20 30 CCEDLO C=CC[N@H+](C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336710623 262382105 /nfs/dbraw/zinc/38/21/05/262382105.db2.gz MYNQZXOJQNUJTC-RYUDHWBXSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CC[N@@H+](C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336710623 262382106 /nfs/dbraw/zinc/38/21/06/262382106.db2.gz MYNQZXOJQNUJTC-RYUDHWBXSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[S@](=O)CC2)C1=O ZINC000337250972 262440821 /nfs/dbraw/zinc/44/08/21/262440821.db2.gz QYGJUVPXFWHTKH-FTLABTOESA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[S@](=O)CC2)C1=O ZINC000337250972 262440822 /nfs/dbraw/zinc/44/08/22/262440822.db2.gz QYGJUVPXFWHTKH-FTLABTOESA-N 1 2 270.398 0.616 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000339354927 262632979 /nfs/dbraw/zinc/63/29/79/262632979.db2.gz KFUPIVQWCLXRPC-ZDUSSCGKSA-N 1 2 264.300 0.609 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000339354927 262632982 /nfs/dbraw/zinc/63/29/82/262632982.db2.gz KFUPIVQWCLXRPC-ZDUSSCGKSA-N 1 2 264.300 0.609 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000088476641 263054161 /nfs/dbraw/zinc/05/41/61/263054161.db2.gz PZNUKTBBZLFJRK-SNVBAGLBSA-N 1 2 257.359 0.256 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340292270 263105439 /nfs/dbraw/zinc/10/54/39/263105439.db2.gz SVARSGNJVXEWDW-OAGGEKHMSA-N 1 2 287.363 0.629 20 30 CCEDLO C=CCN1CC[C@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000289324511 263108945 /nfs/dbraw/zinc/10/89/45/263108945.db2.gz CSYVCBFKUCZIIZ-ZJUUUORDSA-N 1 2 253.302 0.241 20 30 CCEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cnn(C)n1 ZINC000289401829 263109970 /nfs/dbraw/zinc/10/99/70/263109970.db2.gz OCWNYRKXILOKBO-SECBINFHSA-N 1 2 255.322 0.665 20 30 CCEDLO C[N@H+](CCOCCC#N)Cc1ccccc1S(N)(=O)=O ZINC000293656837 263146455 /nfs/dbraw/zinc/14/64/55/263146455.db2.gz SVLGXTPOJPFUPC-UHFFFAOYSA-N 1 2 297.380 0.696 20 30 CCEDLO C[N@@H+](CCOCCC#N)Cc1ccccc1S(N)(=O)=O ZINC000293656837 263146457 /nfs/dbraw/zinc/14/64/57/263146457.db2.gz SVLGXTPOJPFUPC-UHFFFAOYSA-N 1 2 297.380 0.696 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000340590281 263214527 /nfs/dbraw/zinc/21/45/27/263214527.db2.gz PHYUSSOQAWSSLO-ZYHUDNBSSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000340590281 263214528 /nfs/dbraw/zinc/21/45/28/263214528.db2.gz PHYUSSOQAWSSLO-ZYHUDNBSSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342151499 263399535 /nfs/dbraw/zinc/39/95/35/263399535.db2.gz RCBFFIPCYYCORT-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342151499 263399536 /nfs/dbraw/zinc/39/95/36/263399536.db2.gz RCBFFIPCYYCORT-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC000960506267 649855268 /nfs/dbraw/zinc/85/52/68/649855268.db2.gz YOWFTCHUXKCTTA-WCQYABFASA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC000960506267 649855269 /nfs/dbraw/zinc/85/52/69/649855269.db2.gz YOWFTCHUXKCTTA-WCQYABFASA-N 1 2 290.371 0.398 20 30 CCEDLO CN(CC(F)(F)F)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000330375838 263917794 /nfs/dbraw/zinc/91/77/94/263917794.db2.gz OFDVEUATRPDFQZ-UHFFFAOYSA-N 1 2 296.293 0.216 20 30 CCEDLO CN(CC(F)(F)F)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000330375838 263917796 /nfs/dbraw/zinc/91/77/96/263917796.db2.gz OFDVEUATRPDFQZ-UHFFFAOYSA-N 1 2 296.293 0.216 20 30 CCEDLO CCc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)co1 ZINC000330802155 264042378 /nfs/dbraw/zinc/04/23/78/264042378.db2.gz APJDOQROFYYHAG-CQSZACIVSA-N 1 2 297.355 0.625 20 30 CCEDLO CC(C)OCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330827396 264048784 /nfs/dbraw/zinc/04/87/84/264048784.db2.gz IWOJLOYZOCDZMY-LBPRGKRZSA-N 1 2 272.393 0.161 20 30 CCEDLO CC(C)OCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330827396 264048785 /nfs/dbraw/zinc/04/87/85/264048785.db2.gz IWOJLOYZOCDZMY-LBPRGKRZSA-N 1 2 272.393 0.161 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330829444 264049625 /nfs/dbraw/zinc/04/96/25/264049625.db2.gz TYBCGVUAFOYRTD-CQSZACIVSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330829444 264049626 /nfs/dbraw/zinc/04/96/26/264049626.db2.gz TYBCGVUAFOYRTD-CQSZACIVSA-N 1 2 270.373 0.541 20 30 CCEDLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330957795 264087972 /nfs/dbraw/zinc/08/79/72/264087972.db2.gz VVZXDGYVZPUTJN-UWVGGRQHSA-N 1 2 257.334 0.536 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330946088 264085278 /nfs/dbraw/zinc/08/52/78/264085278.db2.gz HFELDOKOFVUTAX-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO CN(C)C(=O)NCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330948492 264085873 /nfs/dbraw/zinc/08/58/73/264085873.db2.gz BWVXUGANCGYCHK-SECBINFHSA-N 1 2 279.344 0.421 20 30 CCEDLO CN(C)C(=O)NCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330948492 264085875 /nfs/dbraw/zinc/08/58/75/264085875.db2.gz BWVXUGANCGYCHK-SECBINFHSA-N 1 2 279.344 0.421 20 30 CCEDLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330957795 264087971 /nfs/dbraw/zinc/08/79/71/264087971.db2.gz VVZXDGYVZPUTJN-UWVGGRQHSA-N 1 2 257.334 0.536 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CO1 ZINC000330986716 264103731 /nfs/dbraw/zinc/10/37/31/264103731.db2.gz LNPWJDIBUAPSKB-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000331123059 264131858 /nfs/dbraw/zinc/13/18/58/264131858.db2.gz BUZIZVYGPMMMDP-NSHDSACASA-N 1 2 293.289 0.748 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000331123059 264131859 /nfs/dbraw/zinc/13/18/59/264131859.db2.gz BUZIZVYGPMMMDP-NSHDSACASA-N 1 2 293.289 0.748 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000331197970 264159366 /nfs/dbraw/zinc/15/93/66/264159366.db2.gz SYCMEECHEQYKIC-GHMZBOCLSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000331197970 264159367 /nfs/dbraw/zinc/15/93/67/264159367.db2.gz SYCMEECHEQYKIC-GHMZBOCLSA-N 1 2 251.330 0.658 20 30 CCEDLO C=CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000075918431 264334383 /nfs/dbraw/zinc/33/43/83/264334383.db2.gz VDWONZCKBRHKIL-UHFFFAOYSA-N 1 2 285.369 0.698 20 30 CCEDLO C#CCN(CC#C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000080432093 264395904 /nfs/dbraw/zinc/39/59/04/264395904.db2.gz BBZKUYUBGCMQHA-UHFFFAOYSA-N 1 2 296.374 0.299 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000356841793 266185693 /nfs/dbraw/zinc/18/56/93/266185693.db2.gz UYEUEUXYSXSIAH-YNEHKIRRSA-N 1 2 275.352 0.817 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359150803 266543480 /nfs/dbraw/zinc/54/34/80/266543480.db2.gz RDEKUQFXNAGXKA-NXEZZACHSA-N 1 2 250.302 0.044 20 30 CCEDLO C#CCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000368620459 267191016 /nfs/dbraw/zinc/19/10/16/267191016.db2.gz ZQMPPMOVKCQROH-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971836 288100991 /nfs/dbraw/zinc/10/09/91/288100991.db2.gz OLTNJNBAHZLVIU-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971836 288100992 /nfs/dbraw/zinc/10/09/92/288100992.db2.gz OLTNJNBAHZLVIU-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCOC1 ZINC000329225461 288710886 /nfs/dbraw/zinc/71/08/86/288710886.db2.gz GHNAPTMYUZAKMF-MCIONIFRSA-N 1 2 297.399 0.874 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329947877 298244077 /nfs/dbraw/zinc/24/40/77/298244077.db2.gz HHUYVLHETJHVCI-WOPDTQHZSA-N 1 2 291.355 0.468 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329947877 298244079 /nfs/dbraw/zinc/24/40/79/298244079.db2.gz HHUYVLHETJHVCI-WOPDTQHZSA-N 1 2 291.355 0.468 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000236423406 303217986 /nfs/dbraw/zinc/21/79/86/303217986.db2.gz RPOLFISSQFSNDQ-UHFFFAOYSA-N 1 2 292.364 0.422 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000531558941 328017846 /nfs/dbraw/zinc/01/78/46/328017846.db2.gz BLUDCWMZADATOM-UHFFFAOYSA-N 1 2 287.367 0.994 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000563505929 328070629 /nfs/dbraw/zinc/07/06/29/328070629.db2.gz ITVSHFUGGCIBLZ-FQUUOJAGSA-N 1 2 282.384 0.803 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412068125 328102778 /nfs/dbraw/zinc/10/27/78/328102778.db2.gz HVTSAHKEHIDJFP-IHRRRGAJSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412068125 328102779 /nfs/dbraw/zinc/10/27/79/328102779.db2.gz HVTSAHKEHIDJFP-IHRRRGAJSA-N 1 2 282.384 0.657 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122551509 328396488 /nfs/dbraw/zinc/39/64/88/328396488.db2.gz WCZSOPYSEOHHBR-UPJWGTAASA-N 1 2 297.399 0.374 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122551509 328396490 /nfs/dbraw/zinc/39/64/90/328396490.db2.gz WCZSOPYSEOHHBR-UPJWGTAASA-N 1 2 297.399 0.374 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 ZINC000293092003 328543165 /nfs/dbraw/zinc/54/31/65/328543165.db2.gz TUDCNBPTKQBDBM-UHFFFAOYSA-N 1 2 296.396 0.058 20 30 CCEDLO Cc1cc(N2CCN3C(=O)NC[C@H]3C2)c(C#N)c[nH+]1 ZINC000399598147 326808219 /nfs/dbraw/zinc/80/82/19/326808219.db2.gz SCTQMDKXMROATH-NSHDSACASA-N 1 2 257.297 0.476 20 30 CCEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ncc1C#N ZINC000584235114 327072298 /nfs/dbraw/zinc/07/22/98/327072298.db2.gz HMRYOCKSLYIQLV-AWEZNQCLSA-N 1 2 271.324 0.835 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000559167520 327144404 /nfs/dbraw/zinc/14/44/04/327144404.db2.gz JXXNRNADYKAORU-UHFFFAOYSA-N 1 2 258.325 0.682 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569379954 327170091 /nfs/dbraw/zinc/17/00/91/327170091.db2.gz XFLDSHTVMQHBLB-VIFPVBQESA-N 1 2 271.346 0.320 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569379954 327170092 /nfs/dbraw/zinc/17/00/92/327170092.db2.gz XFLDSHTVMQHBLB-VIFPVBQESA-N 1 2 271.346 0.320 20 30 CCEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000570518775 327597919 /nfs/dbraw/zinc/59/79/19/327597919.db2.gz LEFZNOFJAKNFTG-WFASDCNBSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000378354814 329047574 /nfs/dbraw/zinc/04/75/74/329047574.db2.gz IIUUEUXQIHOAPG-GFCCVEGCSA-N 1 2 291.355 0.186 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000378354814 329047575 /nfs/dbraw/zinc/04/75/75/329047575.db2.gz IIUUEUXQIHOAPG-GFCCVEGCSA-N 1 2 291.355 0.186 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000183543028 329248388 /nfs/dbraw/zinc/24/83/88/329248388.db2.gz LFIODDGQBLMBQJ-XQQFMLRXSA-N 1 2 285.388 0.332 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188545466 329369596 /nfs/dbraw/zinc/36/95/96/329369596.db2.gz ODOKAVRMFNMHCO-UHFFFAOYSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188545466 329369597 /nfs/dbraw/zinc/36/95/97/329369597.db2.gz ODOKAVRMFNMHCO-UHFFFAOYSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000057915331 329678498 /nfs/dbraw/zinc/67/84/98/329678498.db2.gz ZWJPNDIJOZPSAF-SNVBAGLBSA-N 1 2 261.316 0.560 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccnc1 ZINC000162494448 330060627 /nfs/dbraw/zinc/06/06/27/330060627.db2.gz ZYWZEDVNARNPSR-UHFFFAOYSA-N 1 2 288.351 0.770 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000079955485 330072248 /nfs/dbraw/zinc/07/22/48/330072248.db2.gz HWZQCLPZYREGSE-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000079955485 330072250 /nfs/dbraw/zinc/07/22/50/330072250.db2.gz HWZQCLPZYREGSE-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CCc1nnsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572431026 330076415 /nfs/dbraw/zinc/07/64/15/330076415.db2.gz DITHPMAJZALXQT-NSHDSACASA-N 1 2 267.358 0.674 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433300362 330216824 /nfs/dbraw/zinc/21/68/24/330216824.db2.gz DTPCVVRRKLSNLP-JTQLQIEISA-N 1 2 284.360 0.329 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433300362 330216825 /nfs/dbraw/zinc/21/68/25/330216825.db2.gz DTPCVVRRKLSNLP-JTQLQIEISA-N 1 2 284.360 0.329 20 30 CCEDLO N#CCn1ccc(=NC(=O)CCCn2cc[nH+]c2)[nH]1 ZINC000527536185 330263686 /nfs/dbraw/zinc/26/36/86/330263686.db2.gz PSTJYMRWEWLTDW-UHFFFAOYSA-N 1 2 258.285 0.444 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCc3c[nH+]cn3C2)[nH]n1CCC#N ZINC000515063397 330469761 /nfs/dbraw/zinc/46/97/61/330469761.db2.gz LRJQFAICYLFLLG-LBPRGKRZSA-N 1 2 298.350 0.925 20 30 CCEDLO C=CCCS(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000433365366 330627169 /nfs/dbraw/zinc/62/71/69/330627169.db2.gz WWIQOWMKQAAVKX-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451131698 331016885 /nfs/dbraw/zinc/01/68/85/331016885.db2.gz RZZIVTPKAGYPDC-UHFFFAOYSA-N 1 2 276.340 0.506 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451131698 331016886 /nfs/dbraw/zinc/01/68/86/331016886.db2.gz RZZIVTPKAGYPDC-UHFFFAOYSA-N 1 2 276.340 0.506 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751717 331041179 /nfs/dbraw/zinc/04/11/79/331041179.db2.gz VJKAFGQLICPXRQ-HKUMRIAESA-N 1 2 283.372 0.121 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751717 331041180 /nfs/dbraw/zinc/04/11/80/331041180.db2.gz VJKAFGQLICPXRQ-HKUMRIAESA-N 1 2 283.372 0.121 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000195314373 331168915 /nfs/dbraw/zinc/16/89/15/331168915.db2.gz PIUGDTCWWSPLFO-VXGBXAGGSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219705 331186618 /nfs/dbraw/zinc/18/66/18/331186618.db2.gz VFJCXKLJSXFQQZ-MCIONIFRSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219705 331186619 /nfs/dbraw/zinc/18/66/19/331186619.db2.gz VFJCXKLJSXFQQZ-MCIONIFRSA-N 1 2 282.384 0.947 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458168531 331244156 /nfs/dbraw/zinc/24/41/56/331244156.db2.gz GQKYERNIKVELCV-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458168531 331244157 /nfs/dbraw/zinc/24/41/57/331244157.db2.gz GQKYERNIKVELCV-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458796902 331260039 /nfs/dbraw/zinc/26/00/39/331260039.db2.gz OLBTWSOIFIPBEG-TZMCWYRMSA-N 1 2 297.399 0.476 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458796902 331260040 /nfs/dbraw/zinc/26/00/40/331260040.db2.gz OLBTWSOIFIPBEG-TZMCWYRMSA-N 1 2 297.399 0.476 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@](C)(CC)C2)CC1 ZINC000490719813 332108626 /nfs/dbraw/zinc/10/86/26/332108626.db2.gz OUZJIVNYANTYCD-MRXNPFEDSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@](C)(CC)C2)CC1 ZINC000490719813 332108627 /nfs/dbraw/zinc/10/86/27/332108627.db2.gz OUZJIVNYANTYCD-MRXNPFEDSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000491048671 332143341 /nfs/dbraw/zinc/14/33/41/332143341.db2.gz YKORXZXNUFHRAP-TZMCWYRMSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000491048671 332143342 /nfs/dbraw/zinc/14/33/42/332143342.db2.gz YKORXZXNUFHRAP-TZMCWYRMSA-N 1 2 280.368 0.252 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000491460712 332215471 /nfs/dbraw/zinc/21/54/71/332215471.db2.gz AUIDHSHVIDLZAZ-CYBMUJFWSA-N 1 2 288.351 0.927 20 30 CCEDLO C#CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491641925 332261305 /nfs/dbraw/zinc/26/13/05/332261305.db2.gz UOMJLHXMHFWWKD-SECBINFHSA-N 1 2 265.313 0.070 20 30 CCEDLO C#CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491641925 332261306 /nfs/dbraw/zinc/26/13/06/332261306.db2.gz UOMJLHXMHFWWKD-SECBINFHSA-N 1 2 265.313 0.070 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000491655369 332267339 /nfs/dbraw/zinc/26/73/39/332267339.db2.gz HJFDHBFHSSKMPD-CYBMUJFWSA-N 1 2 278.400 0.430 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC000491664972 332273676 /nfs/dbraw/zinc/27/36/76/332273676.db2.gz FXWMIRBAHNGLEB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC000491664972 332273678 /nfs/dbraw/zinc/27/36/78/332273678.db2.gz FXWMIRBAHNGLEB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000491664972 332273679 /nfs/dbraw/zinc/27/36/79/332273679.db2.gz FXWMIRBAHNGLEB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000491664972 332273681 /nfs/dbraw/zinc/27/36/81/332273681.db2.gz FXWMIRBAHNGLEB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491734276 332315007 /nfs/dbraw/zinc/31/50/07/332315007.db2.gz DWPIUMFRWKBCQK-SNVBAGLBSA-N 1 2 275.308 0.947 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000491739194 332318722 /nfs/dbraw/zinc/31/87/22/332318722.db2.gz GUZVVYINLCNDLU-UHFFFAOYSA-N 1 2 278.743 0.628 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000491739194 332318724 /nfs/dbraw/zinc/31/87/24/332318724.db2.gz GUZVVYINLCNDLU-UHFFFAOYSA-N 1 2 278.743 0.628 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000491748318 332325588 /nfs/dbraw/zinc/32/55/88/332325588.db2.gz RAORAFNYBNNSRR-MRXNPFEDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000491748318 332325589 /nfs/dbraw/zinc/32/55/89/332325589.db2.gz RAORAFNYBNNSRR-MRXNPFEDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491761337 332331841 /nfs/dbraw/zinc/33/18/41/332331841.db2.gz VNAUSPIGQKMOLV-AVGNSLFASA-N 1 2 267.373 0.759 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190134631 333203532 /nfs/dbraw/zinc/20/35/32/333203532.db2.gz XSTAZDRELMELIG-HZSPNIEDSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190134631 333203533 /nfs/dbraw/zinc/20/35/33/333203533.db2.gz XSTAZDRELMELIG-HZSPNIEDSA-N 1 2 282.384 0.657 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000580538691 335128262 /nfs/dbraw/zinc/12/82/62/335128262.db2.gz MKUKLNKISKZVQX-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO C=CCSCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000194628058 333273764 /nfs/dbraw/zinc/27/37/64/333273764.db2.gz PALJHUDWMNFBIK-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC(C)C1 ZINC000125742745 333571735 /nfs/dbraw/zinc/57/17/35/333571735.db2.gz OVBWFDGQECYZEA-MBHSVXNSSA-N 1 2 265.357 0.763 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245755598 334217587 /nfs/dbraw/zinc/21/75/87/334217587.db2.gz YHZOVHVIHGHZBA-WDEREUQCSA-N 1 2 291.317 0.693 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245755598 334217589 /nfs/dbraw/zinc/21/75/89/334217589.db2.gz YHZOVHVIHGHZBA-WDEREUQCSA-N 1 2 291.317 0.693 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246187961 334239119 /nfs/dbraw/zinc/23/91/19/334239119.db2.gz WVVKAUBXPDRUGR-JGVFFNPUSA-N 1 2 297.277 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246187961 334239120 /nfs/dbraw/zinc/23/91/20/334239120.db2.gz WVVKAUBXPDRUGR-JGVFFNPUSA-N 1 2 297.277 0.242 20 30 CCEDLO C[C@@H]1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482917 334479696 /nfs/dbraw/zinc/47/96/96/334479696.db2.gz MYQMRUPKTBKRGL-MDZLAQPJSA-N 1 2 253.346 0.762 20 30 CCEDLO N#CCC[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000577221727 335325392 /nfs/dbraw/zinc/32/53/92/335325392.db2.gz YCTCDDSCKSWTDD-UHFFFAOYSA-N 1 2 268.338 0.456 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000348590791 335429812 /nfs/dbraw/zinc/42/98/12/335429812.db2.gz HKESISURTVDIKW-QWRGUYRKSA-N 1 2 290.323 0.321 20 30 CCEDLO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)no1 ZINC000329233187 534052388 /nfs/dbraw/zinc/05/23/88/534052388.db2.gz LUWOUTADCNOTKQ-UHFFFAOYSA-N 1 2 296.327 0.002 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000575473495 545102302 /nfs/dbraw/zinc/10/23/02/545102302.db2.gz ADKSGSRUQLTGMX-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000575473495 545102303 /nfs/dbraw/zinc/10/23/03/545102303.db2.gz ADKSGSRUQLTGMX-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO CC#CCC[N@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000347324121 526307873 /nfs/dbraw/zinc/30/78/73/526307873.db2.gz YJQVIKHIRNSSKW-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO CC#CCC[N@@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000347324121 526307878 /nfs/dbraw/zinc/30/78/78/526307878.db2.gz YJQVIKHIRNSSKW-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000347328058 526479632 /nfs/dbraw/zinc/47/96/32/526479632.db2.gz GIBQPKTXEIESGS-DGCLKSJQSA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000347328058 526479637 /nfs/dbraw/zinc/47/96/37/526479637.db2.gz GIBQPKTXEIESGS-DGCLKSJQSA-N 1 2 256.321 0.570 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000666139863 545114144 /nfs/dbraw/zinc/11/41/44/545114144.db2.gz YAXBQNCOKDAVKI-CQSZACIVSA-N 1 2 263.341 0.815 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353270504 526621256 /nfs/dbraw/zinc/62/12/56/526621256.db2.gz FKVNTIXIKUYVKI-LLVKDONJSA-N 1 2 295.408 0.987 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353270504 526621259 /nfs/dbraw/zinc/62/12/59/526621259.db2.gz FKVNTIXIKUYVKI-LLVKDONJSA-N 1 2 295.408 0.987 20 30 CCEDLO C=C[C@@](C)(O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000668187489 545166400 /nfs/dbraw/zinc/16/64/00/545166400.db2.gz HQKURFOYZZSKCU-CQSZACIVSA-N 1 2 294.355 0.091 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CC#CCOC)CC1 ZINC000677132522 545358295 /nfs/dbraw/zinc/35/82/95/545358295.db2.gz CCNVPTYWUJFGBH-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CC#CCOC)CC1 ZINC000677132522 545358296 /nfs/dbraw/zinc/35/82/96/545358296.db2.gz CCNVPTYWUJFGBH-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO COCC#CC[N@@H+](CCOC)Cc1ccnn1C ZINC000683805717 545565148 /nfs/dbraw/zinc/56/51/48/545565148.db2.gz UNAPDFKFRKIYMP-UHFFFAOYSA-N 1 2 251.330 0.518 20 30 CCEDLO COCC#CC[N@H+](CCOC)Cc1ccnn1C ZINC000683805717 545565151 /nfs/dbraw/zinc/56/51/51/545565151.db2.gz UNAPDFKFRKIYMP-UHFFFAOYSA-N 1 2 251.330 0.518 20 30 CCEDLO NC(=[NH+]OC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000788503610 581114508 /nfs/dbraw/zinc/11/45/08/581114508.db2.gz ICSWUMJZCDJMJP-SECBINFHSA-N 1 2 286.328 0.897 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000780809109 581129509 /nfs/dbraw/zinc/12/95/09/581129509.db2.gz BTLJRYTVLHVCQO-ZDUSSCGKSA-N 1 2 277.368 0.163 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000780809109 581129510 /nfs/dbraw/zinc/12/95/10/581129510.db2.gz BTLJRYTVLHVCQO-ZDUSSCGKSA-N 1 2 277.368 0.163 20 30 CCEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc([N+](=O)[O-])ccc1O ZINC000779794193 581205595 /nfs/dbraw/zinc/20/55/95/581205595.db2.gz DLWCPLFDWHLFDC-SSDOTTSWSA-N 1 2 277.284 0.962 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000779793193 581205685 /nfs/dbraw/zinc/20/56/85/581205685.db2.gz XSSOWLRDJPSISP-SSDOTTSWSA-N 1 2 263.257 0.572 20 30 CCEDLO COCCO[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000780491722 581230671 /nfs/dbraw/zinc/23/06/71/581230671.db2.gz PSFIRFDWDQWXJO-CYBMUJFWSA-N 1 2 277.324 0.415 20 30 CCEDLO COCCO[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000780491722 581230673 /nfs/dbraw/zinc/23/06/73/581230673.db2.gz PSFIRFDWDQWXJO-CYBMUJFWSA-N 1 2 277.324 0.415 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000780887472 581248106 /nfs/dbraw/zinc/24/81/06/581248106.db2.gz QIFBXZIUDXKMEW-CYBMUJFWSA-N 1 2 270.292 0.605 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780940797 581251190 /nfs/dbraw/zinc/25/11/90/581251190.db2.gz QEMISSZDUCHLRL-HNNXBMFYSA-N 1 2 283.331 0.369 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncn(C)n1 ZINC000781390803 581266865 /nfs/dbraw/zinc/26/68/65/581266865.db2.gz JSKSQXAALDYQES-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncn(C)n1 ZINC000781390803 581266866 /nfs/dbraw/zinc/26/68/66/581266866.db2.gz JSKSQXAALDYQES-MNOVXSKESA-N 1 2 261.329 0.090 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617539 581314193 /nfs/dbraw/zinc/31/41/93/581314193.db2.gz PDSIGTIOGLLWDF-MFKMUULPSA-N 1 2 277.349 0.872 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617539 581314195 /nfs/dbraw/zinc/31/41/95/581314195.db2.gz PDSIGTIOGLLWDF-MFKMUULPSA-N 1 2 277.349 0.872 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782619118 581314588 /nfs/dbraw/zinc/31/45/88/581314588.db2.gz RHMQXBWBSXDRHU-SWLSCSKDSA-N 1 2 271.320 0.811 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782619118 581314589 /nfs/dbraw/zinc/31/45/89/581314589.db2.gz RHMQXBWBSXDRHU-SWLSCSKDSA-N 1 2 271.320 0.811 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+](C)CCC ZINC000783618851 581353001 /nfs/dbraw/zinc/35/30/01/581353001.db2.gz XGJLWJVKFXPLLM-UHFFFAOYSA-N 1 2 262.375 0.045 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+](C)CCC ZINC000783618851 581353004 /nfs/dbraw/zinc/35/30/04/581353004.db2.gz XGJLWJVKFXPLLM-UHFFFAOYSA-N 1 2 262.375 0.045 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796330420 581353229 /nfs/dbraw/zinc/35/32/29/581353229.db2.gz CUYVSUMIMYCRPL-ZJUUUORDSA-N 1 2 293.289 0.509 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796330420 581353231 /nfs/dbraw/zinc/35/32/31/581353231.db2.gz CUYVSUMIMYCRPL-ZJUUUORDSA-N 1 2 293.289 0.509 20 30 CCEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000785617588 581413416 /nfs/dbraw/zinc/41/34/16/581413416.db2.gz OGWFTNXTCNHTTP-UHFFFAOYSA-N 1 2 285.355 0.850 20 30 CCEDLO C=CCCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656178 581414421 /nfs/dbraw/zinc/41/44/21/581414421.db2.gz JOIFNMFWFURITK-CYBMUJFWSA-N 1 2 296.367 0.286 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)CC1 ZINC000796428050 581440122 /nfs/dbraw/zinc/44/01/22/581440122.db2.gz HBBVQKGAMLKIOS-AWEZNQCLSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000787636050 581474405 /nfs/dbraw/zinc/47/44/05/581474405.db2.gz SDFGVQIQLJKNEI-UHFFFAOYSA-N 1 2 288.351 0.293 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000728857485 581509905 /nfs/dbraw/zinc/50/99/05/581509905.db2.gz RTXZLISWRAWHMF-HNNXBMFYSA-N 1 2 299.374 1.000 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000753149014 581529559 /nfs/dbraw/zinc/52/95/59/581529559.db2.gz NRFGBBOFJNSFDV-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000753149014 581529561 /nfs/dbraw/zinc/52/95/61/581529561.db2.gz NRFGBBOFJNSFDV-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C#CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000753917620 581564745 /nfs/dbraw/zinc/56/47/45/581564745.db2.gz MEEYYGFBYYFBPS-AWEZNQCLSA-N 1 2 258.321 0.809 20 30 CCEDLO COCCOCC(C)N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753936532 581565911 /nfs/dbraw/zinc/56/59/11/581565911.db2.gz VSTYQJGIZWGDFF-TXEJJXNPSA-N 1 2 268.361 0.885 20 30 CCEDLO C#CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000753943576 581566309 /nfs/dbraw/zinc/56/63/09/581566309.db2.gz MINZKXSPAYQWGD-LLVKDONJSA-N 1 2 259.309 0.556 20 30 CCEDLO C#CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000753963940 581567415 /nfs/dbraw/zinc/56/74/15/581567415.db2.gz RJUDHFPQLGVIKQ-UHFFFAOYSA-N 1 2 288.347 0.647 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000767073001 581594742 /nfs/dbraw/zinc/59/47/42/581594742.db2.gz WPPYKQUOHRWTME-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000767073001 581594746 /nfs/dbraw/zinc/59/47/46/581594746.db2.gz WPPYKQUOHRWTME-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1=O ZINC000768906257 581662277 /nfs/dbraw/zinc/66/22/77/581662277.db2.gz RKQYXIMHLYNGBW-CQSZACIVSA-N 1 2 275.308 0.169 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCO[C@]3(CCOC3)C2)c1=O ZINC000768906257 581662281 /nfs/dbraw/zinc/66/22/81/581662281.db2.gz RKQYXIMHLYNGBW-CQSZACIVSA-N 1 2 275.308 0.169 20 30 CCEDLO N#CC1CC[NH+](CN2C[C@@]3(CCOC3)CC2=O)CC1 ZINC000756851319 581681608 /nfs/dbraw/zinc/68/16/08/581681608.db2.gz ARZDINUPUHWARG-CQSZACIVSA-N 1 2 263.341 0.818 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)CC ZINC000730283104 581691169 /nfs/dbraw/zinc/69/11/69/581691169.db2.gz OXBLNHJADRJASW-UPJWGTAASA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)CC ZINC000730283104 581691173 /nfs/dbraw/zinc/69/11/73/581691173.db2.gz OXBLNHJADRJASW-UPJWGTAASA-N 1 2 279.384 0.503 20 30 CCEDLO C=C(C)CNC(=S)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000769794661 581707026 /nfs/dbraw/zinc/70/70/26/581707026.db2.gz PYILELQKQUMTMX-MNOVXSKESA-N 1 2 257.403 0.746 20 30 CCEDLO C=C(C)CNC(=S)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769794661 581707029 /nfs/dbraw/zinc/70/70/29/581707029.db2.gz PYILELQKQUMTMX-MNOVXSKESA-N 1 2 257.403 0.746 20 30 CCEDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)CC(=O)NCCC#N ZINC000769941952 581715667 /nfs/dbraw/zinc/71/56/67/581715667.db2.gz QIIIXKZJAVMMAQ-UHFFFAOYSA-N 1 2 289.401 0.161 20 30 CCEDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)CC(=O)NCCC#N ZINC000769941952 581715670 /nfs/dbraw/zinc/71/56/70/581715670.db2.gz QIIIXKZJAVMMAQ-UHFFFAOYSA-N 1 2 289.401 0.161 20 30 CCEDLO C#CCNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000758181241 581725018 /nfs/dbraw/zinc/72/50/18/581725018.db2.gz PFCNOEPWCYCFJW-UHFFFAOYSA-N 1 2 255.387 0.195 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000731058464 581752325 /nfs/dbraw/zinc/75/23/25/581752325.db2.gz BGJDSXNQJRXCHY-UHFFFAOYSA-N 1 2 283.335 0.429 20 30 CCEDLO O=S1(=O)CCCC(=NNCC[NH+]2CCCCC2)C1 ZINC000731925526 581792350 /nfs/dbraw/zinc/79/23/50/581792350.db2.gz ISOXUYDEEWZFNP-UHFFFAOYSA-N 1 2 273.402 0.627 20 30 CCEDLO COc1cccc(/C=[NH+]\CCc2nnnn2C)c1O ZINC000771520223 581806532 /nfs/dbraw/zinc/80/65/32/581806532.db2.gz LLJDNTNQCKTXDH-JYRVWZFOSA-N 1 2 261.285 0.586 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000732200944 581808864 /nfs/dbraw/zinc/80/88/64/581808864.db2.gz WYACQFZCZTVMLQ-CQSZACIVSA-N 1 2 286.379 0.510 20 30 CCEDLO CC(=NOCC(N)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771574288 581809169 /nfs/dbraw/zinc/80/91/69/581809169.db2.gz DYMMISBZXNADLH-AWEZNQCLSA-N 1 2 291.351 0.765 20 30 CCEDLO CC(=NOCC(N)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771574288 581809171 /nfs/dbraw/zinc/80/91/71/581809171.db2.gz DYMMISBZXNADLH-AWEZNQCLSA-N 1 2 291.351 0.765 20 30 CCEDLO Cc1[nH]c(C(=O)NCCNc2ccc(C#N)cn2)c[nH+]1 ZINC000732269466 581812016 /nfs/dbraw/zinc/81/20/16/581812016.db2.gz SHWYRFAMSBCIRG-UHFFFAOYSA-N 1 2 270.296 0.827 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000744419004 581841992 /nfs/dbraw/zinc/84/19/92/581841992.db2.gz DSMMVRKFSIWGRM-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000732982724 581857305 /nfs/dbraw/zinc/85/73/05/581857305.db2.gz HVDXGTSOSLXSGZ-UHFFFAOYSA-N 1 2 279.365 0.046 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000732982724 581857310 /nfs/dbraw/zinc/85/73/10/581857310.db2.gz HVDXGTSOSLXSGZ-UHFFFAOYSA-N 1 2 279.365 0.046 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000760640485 581868157 /nfs/dbraw/zinc/86/81/57/581868157.db2.gz FXSGRMVLQNVDJW-WTOJCKNJSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000760640485 581868160 /nfs/dbraw/zinc/86/81/60/581868160.db2.gz FXSGRMVLQNVDJW-WTOJCKNJSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000760855635 581876033 /nfs/dbraw/zinc/87/60/33/581876033.db2.gz FXBSBINWQFUMOX-UHFFFAOYSA-N 1 2 299.421 0.781 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000198105831 581884816 /nfs/dbraw/zinc/88/48/16/581884816.db2.gz LDAWVWRBBOVZQQ-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO C#C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000772876228 581895181 /nfs/dbraw/zinc/89/51/81/581895181.db2.gz BBKFCNBYSOKACY-STQMWFEESA-N 1 2 261.325 0.960 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000746303769 581909084 /nfs/dbraw/zinc/90/90/84/581909084.db2.gz VJYJKPJNJCPDLF-ZJUUUORDSA-N 1 2 266.370 0.782 20 30 CCEDLO C#C[C@H](NC(=O)NCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000773564394 581934005 /nfs/dbraw/zinc/93/40/05/581934005.db2.gz ZBRILYIGXKXUMT-QWHCGFSZSA-N 1 2 288.351 0.974 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000748320023 581968801 /nfs/dbraw/zinc/96/88/01/581968801.db2.gz FWCQGASWXMWDAG-FQEVSTJZSA-N 1 2 294.380 0.023 20 30 CCEDLO CNC(=O)CNC(=S)NN=CCCc1ccc(C)[nH+]c1 ZINC000774386065 581971889 /nfs/dbraw/zinc/97/18/89/581971889.db2.gz XYWLZPRSYKYNPK-UHFFFAOYSA-N 1 2 293.396 0.519 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000763081456 581985177 /nfs/dbraw/zinc/98/51/77/581985177.db2.gz KCYINVZXKMUGTP-ARFHVFGLSA-N 1 2 284.359 0.859 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000763081456 581985178 /nfs/dbraw/zinc/98/51/78/581985178.db2.gz KCYINVZXKMUGTP-ARFHVFGLSA-N 1 2 284.359 0.859 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000749247003 582000565 /nfs/dbraw/zinc/00/05/65/582000565.db2.gz LSZOYFGFVLXSDG-OCCSQVGLSA-N 1 2 299.378 0.644 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000749577514 582013106 /nfs/dbraw/zinc/01/31/06/582013106.db2.gz XTZMMJJLACCIED-CQSZACIVSA-N 1 2 295.383 0.880 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000749577514 582013111 /nfs/dbraw/zinc/01/31/11/582013111.db2.gz XTZMMJJLACCIED-CQSZACIVSA-N 1 2 295.383 0.880 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC2(C1)OCCO2)C1CC1 ZINC000749571163 582013175 /nfs/dbraw/zinc/01/31/75/582013175.db2.gz GZFQVCNLPBDQSW-CQSZACIVSA-N 1 2 293.367 0.634 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC2(C1)OCCO2)C1CC1 ZINC000749571163 582013178 /nfs/dbraw/zinc/01/31/78/582013178.db2.gz GZFQVCNLPBDQSW-CQSZACIVSA-N 1 2 293.367 0.634 20 30 CCEDLO CCOc1cccc(/C=[NH+]/Cc2nnn(C)n2)c1O ZINC000775741292 582036052 /nfs/dbraw/zinc/03/60/52/582036052.db2.gz QJRKKKMLEBMRMP-NTUHNPAUSA-N 1 2 261.285 0.934 20 30 CCEDLO C[N@H+](CC(=O)NCCC#N)CC(=O)NCc1ccccc1 ZINC000738334087 582037507 /nfs/dbraw/zinc/03/75/07/582037507.db2.gz CNBOQWQMHIAFFY-UHFFFAOYSA-N 1 2 288.351 0.264 20 30 CCEDLO C[N@@H+](CC(=O)NCCC#N)CC(=O)NCc1ccccc1 ZINC000738334087 582037512 /nfs/dbraw/zinc/03/75/12/582037512.db2.gz CNBOQWQMHIAFFY-UHFFFAOYSA-N 1 2 288.351 0.264 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000775790864 582038373 /nfs/dbraw/zinc/03/83/73/582038373.db2.gz KQEVTXYHAMEYNB-KBPBESRZSA-N 1 2 298.342 0.844 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000775790864 582038375 /nfs/dbraw/zinc/03/83/75/582038375.db2.gz KQEVTXYHAMEYNB-KBPBESRZSA-N 1 2 298.342 0.844 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1CCCC)[C@H]1CCCO1 ZINC000775797925 582039375 /nfs/dbraw/zinc/03/93/75/582039375.db2.gz GOXQVSPOBBJZNH-NWDGAFQWSA-N 1 2 263.345 0.744 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)[C@@H]1CCCO1 ZINC000775795200 582039565 /nfs/dbraw/zinc/03/95/65/582039565.db2.gz VBSXKHJVVFEMOH-GJZGRUSLSA-N 1 2 297.362 0.992 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1CCCC)[C@H]1CCCO1 ZINC000775797930 582039757 /nfs/dbraw/zinc/03/97/57/582039757.db2.gz GOXQVSPOBBJZNH-VXGBXAGGSA-N 1 2 263.345 0.744 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnc2n1CCCC2)[C@H]1CCCO1 ZINC000775800374 582040424 /nfs/dbraw/zinc/04/04/24/582040424.db2.gz OODZYPDUGPZZGS-NWDGAFQWSA-N 1 2 260.341 0.885 20 30 CCEDLO C[C@H](C(=O)Nc1cnn(CC#N)c1)[NH+]1CCSCC1 ZINC000750854572 582061465 /nfs/dbraw/zinc/06/14/65/582061465.db2.gz QFMAPEDKZYQPBZ-SNVBAGLBSA-N 1 2 279.369 0.782 20 30 CCEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC000776594409 582084062 /nfs/dbraw/zinc/08/40/62/582084062.db2.gz FBHCBMGFUCEMOV-CQSZACIVSA-N 1 2 265.401 0.884 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086310 582100386 /nfs/dbraw/zinc/10/03/86/582100386.db2.gz DLHZBOOHXYNKSA-MFKMUULPSA-N 1 2 285.319 0.334 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086310 582100387 /nfs/dbraw/zinc/10/03/87/582100387.db2.gz DLHZBOOHXYNKSA-MFKMUULPSA-N 1 2 285.319 0.334 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(=O)N(CCC)C1=O ZINC000853619960 612988996 /nfs/dbraw/zinc/98/89/96/612988996.db2.gz OPTSZNHEZXUSCF-UHFFFAOYSA-N 1 2 295.339 0.116 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(=O)N(CCC)C1=O ZINC000853619960 612988998 /nfs/dbraw/zinc/98/89/98/612988998.db2.gz OPTSZNHEZXUSCF-UHFFFAOYSA-N 1 2 295.339 0.116 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000851873356 613011696 /nfs/dbraw/zinc/01/16/96/613011696.db2.gz VYNWPBZGADLTFA-CABCVRRESA-N 1 2 266.385 0.679 20 30 CCEDLO C#CCCOC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000859156011 613050064 /nfs/dbraw/zinc/05/00/64/613050064.db2.gz PLXRMNZSNGNZIA-CHWSQXEVSA-N 1 2 266.341 0.941 20 30 CCEDLO C#CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000914067717 613067306 /nfs/dbraw/zinc/06/73/06/613067306.db2.gz YUQLQPOXTFFHAF-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463987 612974715 /nfs/dbraw/zinc/97/47/15/612974715.db2.gz ZBHLYVHFAHXBLV-CYBMUJFWSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CC1(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCCC1 ZINC000883271202 612949545 /nfs/dbraw/zinc/94/95/45/612949545.db2.gz HYXXBBAPMIDCDO-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CC1(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CCCC1 ZINC000883271202 612949547 /nfs/dbraw/zinc/94/95/47/612949547.db2.gz HYXXBBAPMIDCDO-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000806917823 612979307 /nfs/dbraw/zinc/97/93/07/612979307.db2.gz PEEXDANGGUWXQV-ZDUSSCGKSA-N 1 2 288.351 0.576 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)nn2)C1 ZINC000950052664 612992267 /nfs/dbraw/zinc/99/22/67/612992267.db2.gz LMGYFWNUBZQOIS-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435366 612999232 /nfs/dbraw/zinc/99/92/32/612999232.db2.gz GIKMEBRARNEKIW-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC000957121917 613009053 /nfs/dbraw/zinc/00/90/53/613009053.db2.gz GRHUZTTXCVASPH-CYBMUJFWSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000949232427 613011073 /nfs/dbraw/zinc/01/10/73/613011073.db2.gz XCXFHZVGJYTDBS-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO C#CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805113083 613047335 /nfs/dbraw/zinc/04/73/35/613047335.db2.gz STLCQLGHDNMMNG-QWHCGFSZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CC[C@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823053247 613053708 /nfs/dbraw/zinc/05/37/08/613053708.db2.gz NGKJHFUUBOVOTJ-NXEZZACHSA-N 1 2 289.257 0.877 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000798364976 613056344 /nfs/dbraw/zinc/05/63/44/613056344.db2.gz ZHSOONCLVZKMNL-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000854541452 613056915 /nfs/dbraw/zinc/05/69/15/613056915.db2.gz IJPYUJYAFDGPKL-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000854541452 613056917 /nfs/dbraw/zinc/05/69/17/613056917.db2.gz IJPYUJYAFDGPKL-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)C1CSC1 ZINC000912362316 613064891 /nfs/dbraw/zinc/06/48/91/613064891.db2.gz SEBJJQKMPTYQKA-LCYFTJDESA-N 1 2 294.420 0.842 20 30 CCEDLO C#CCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000916882826 613067165 /nfs/dbraw/zinc/06/71/65/613067165.db2.gz LKBBXXYXJIYDST-LBPRGKRZSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000916882826 613067166 /nfs/dbraw/zinc/06/71/66/613067166.db2.gz LKBBXXYXJIYDST-LBPRGKRZSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC000972528717 613084546 /nfs/dbraw/zinc/08/45/46/613084546.db2.gz BCERWVVRYLODEB-OCCSQVGLSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC000972528717 613084548 /nfs/dbraw/zinc/08/45/48/613084548.db2.gz BCERWVVRYLODEB-OCCSQVGLSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820647958 613084882 /nfs/dbraw/zinc/08/48/82/613084882.db2.gz YFPLNLKFMKVVNL-UONOGXRCSA-N 1 2 297.399 0.123 20 30 CCEDLO C#CC[N@@H+](CC#CC)Cc1ccc(S(N)(=O)=O)cc1 ZINC000876750796 613100474 /nfs/dbraw/zinc/10/04/74/613100474.db2.gz WKLJTZINGQAVHO-UHFFFAOYSA-N 1 2 276.361 0.793 20 30 CCEDLO C#CC[N@H+](CC#CC)Cc1ccc(S(N)(=O)=O)cc1 ZINC000876750796 613100476 /nfs/dbraw/zinc/10/04/76/613100476.db2.gz WKLJTZINGQAVHO-UHFFFAOYSA-N 1 2 276.361 0.793 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000941551983 613114559 /nfs/dbraw/zinc/11/45/59/613114559.db2.gz FATIDOIQCCIGHZ-UHFFFAOYSA-N 1 2 285.338 0.493 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)SC)CC2)C1 ZINC000941322467 613115725 /nfs/dbraw/zinc/11/57/25/613115725.db2.gz DNOSDBKWDUKWRE-LBPRGKRZSA-N 1 2 281.425 0.200 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@]3(C)CC)CC2)C1 ZINC000941622829 613115784 /nfs/dbraw/zinc/11/57/84/613115784.db2.gz OBVTYDQAXCNUOR-WBVHZDCISA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3C)CC2)C1 ZINC000941304924 613116169 /nfs/dbraw/zinc/11/61/69/613116169.db2.gz RXAJOGZGVDCGBF-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820667379 613123648 /nfs/dbraw/zinc/12/36/48/613123648.db2.gz VIMPHTFJOBPPHQ-MCIONIFRSA-N 1 2 279.384 0.951 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820667379 613123649 /nfs/dbraw/zinc/12/36/49/613123649.db2.gz VIMPHTFJOBPPHQ-MCIONIFRSA-N 1 2 279.384 0.951 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980853781 613150263 /nfs/dbraw/zinc/15/02/63/613150263.db2.gz PGDNHXGORBOUJD-UHFFFAOYSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980853781 613150265 /nfs/dbraw/zinc/15/02/65/613150265.db2.gz PGDNHXGORBOUJD-UHFFFAOYSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCCO1 ZINC000877413006 613151015 /nfs/dbraw/zinc/15/10/15/613151015.db2.gz CGTZCINXGAHSDB-WDEREUQCSA-N 1 2 284.337 0.197 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000891896915 613154652 /nfs/dbraw/zinc/15/46/52/613154652.db2.gz UBWHJNXLZGADAV-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000885512215 613176104 /nfs/dbraw/zinc/17/61/04/613176104.db2.gz UHSYOFATVZUXRC-CHWSQXEVSA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000885512215 613176105 /nfs/dbraw/zinc/17/61/05/613176105.db2.gz UHSYOFATVZUXRC-CHWSQXEVSA-N 1 2 285.413 0.403 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000897145374 613181871 /nfs/dbraw/zinc/18/18/71/613181871.db2.gz FECVWLHLRVDRJY-HNNXBMFYSA-N 1 2 269.348 0.398 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549325 613183061 /nfs/dbraw/zinc/18/30/61/613183061.db2.gz HRBLTLNJYLYUHD-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000923549325 613183064 /nfs/dbraw/zinc/18/30/64/613183064.db2.gz HRBLTLNJYLYUHD-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000923549325 613183066 /nfs/dbraw/zinc/18/30/66/613183066.db2.gz HRBLTLNJYLYUHD-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)cn1 ZINC000807283748 613188696 /nfs/dbraw/zinc/18/86/96/613188696.db2.gz FOTXXSYMLRPSTF-CYBMUJFWSA-N 1 2 298.302 0.231 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnsn2)C1 ZINC000923587573 613192170 /nfs/dbraw/zinc/19/21/70/613192170.db2.gz ZRQILEKBIDHWMT-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnsn2)C1 ZINC000923587573 613192171 /nfs/dbraw/zinc/19/21/71/613192171.db2.gz ZRQILEKBIDHWMT-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2csnn2)C1 ZINC000923581112 613192525 /nfs/dbraw/zinc/19/25/25/613192525.db2.gz HPGHRSIMJUJSRO-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2csnn2)C1 ZINC000923581112 613192528 /nfs/dbraw/zinc/19/25/28/613192528.db2.gz HPGHRSIMJUJSRO-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](Nc2ncccc2S(N)(=O)=O)C1 ZINC000884612314 613193806 /nfs/dbraw/zinc/19/38/06/613193806.db2.gz JFGBKLBMAVJIIL-NSHDSACASA-N 1 2 294.380 0.239 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncccc2S(N)(=O)=O)C1 ZINC000884612314 613193808 /nfs/dbraw/zinc/19/38/08/613193808.db2.gz JFGBKLBMAVJIIL-NSHDSACASA-N 1 2 294.380 0.239 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000819721130 613197123 /nfs/dbraw/zinc/19/71/23/613197123.db2.gz XKMXSDAGVKJMPI-NEPJUHHUSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000819721130 613197125 /nfs/dbraw/zinc/19/71/25/613197125.db2.gz XKMXSDAGVKJMPI-NEPJUHHUSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819721130 613197127 /nfs/dbraw/zinc/19/71/27/613197127.db2.gz XKMXSDAGVKJMPI-NEPJUHHUSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819721130 613197129 /nfs/dbraw/zinc/19/71/29/613197129.db2.gz XKMXSDAGVKJMPI-NEPJUHHUSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891038369 613202497 /nfs/dbraw/zinc/20/24/97/613202497.db2.gz MKZWBXGYMLNJNP-IHRRRGAJSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891038369 613202499 /nfs/dbraw/zinc/20/24/99/613202499.db2.gz MKZWBXGYMLNJNP-IHRRRGAJSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CCN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000857050490 613204457 /nfs/dbraw/zinc/20/44/57/613204457.db2.gz NSMOVDVEPZOIGR-UHFFFAOYSA-N 1 2 260.341 0.465 20 30 CCEDLO C#Cc1cccnc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000853419485 613208559 /nfs/dbraw/zinc/20/85/59/613208559.db2.gz ZYYQTNGGYLMRLU-UHFFFAOYSA-N 1 2 272.352 0.449 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972347307 613211434 /nfs/dbraw/zinc/21/14/34/613211434.db2.gz TYJKBMAYKQYILI-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972347307 613211436 /nfs/dbraw/zinc/21/14/36/613211436.db2.gz TYJKBMAYKQYILI-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972355696 613212342 /nfs/dbraw/zinc/21/23/42/613212342.db2.gz OFYIFTQJCDUVTC-MRXNPFEDSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972355696 613212343 /nfs/dbraw/zinc/21/23/43/613212343.db2.gz OFYIFTQJCDUVTC-MRXNPFEDSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751398 613282449 /nfs/dbraw/zinc/28/24/49/613282449.db2.gz INZMTUYIHWEZKZ-MGPQQGTHSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751398 613282450 /nfs/dbraw/zinc/28/24/50/613282450.db2.gz INZMTUYIHWEZKZ-MGPQQGTHSA-N 1 2 293.411 0.165 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823873577 613287842 /nfs/dbraw/zinc/28/78/42/613287842.db2.gz NNWUGABCHARMJW-LBPRGKRZSA-N 1 2 286.339 0.901 20 30 CCEDLO C=C(C)C[N@H+](C)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823873577 613287844 /nfs/dbraw/zinc/28/78/44/613287844.db2.gz NNWUGABCHARMJW-LBPRGKRZSA-N 1 2 286.339 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCC2 ZINC000960721490 613322098 /nfs/dbraw/zinc/32/20/98/613322098.db2.gz DWECDRKYKGLOAU-PJXYFTJBSA-N 1 2 270.336 0.192 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCC2 ZINC000960721490 613322099 /nfs/dbraw/zinc/32/20/99/613322099.db2.gz DWECDRKYKGLOAU-PJXYFTJBSA-N 1 2 270.336 0.192 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000815093006 613324980 /nfs/dbraw/zinc/32/49/80/613324980.db2.gz ZDVVXQIQQWGSSQ-MRXNPFEDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000815093006 613324981 /nfs/dbraw/zinc/32/49/81/613324981.db2.gz ZDVVXQIQQWGSSQ-MRXNPFEDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000852741087 613325364 /nfs/dbraw/zinc/32/53/64/613325364.db2.gz WJTZSMPSHMQBQJ-SNVBAGLBSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000852741087 613325366 /nfs/dbraw/zinc/32/53/66/613325366.db2.gz WJTZSMPSHMQBQJ-SNVBAGLBSA-N 1 2 278.274 0.779 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840802217 613346729 /nfs/dbraw/zinc/34/67/29/613346729.db2.gz FVHPBOHUAVPZQD-TXEJJXNPSA-N 1 2 269.414 0.890 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840802217 613346730 /nfs/dbraw/zinc/34/67/30/613346730.db2.gz FVHPBOHUAVPZQD-TXEJJXNPSA-N 1 2 269.414 0.890 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118191 613354926 /nfs/dbraw/zinc/35/49/26/613354926.db2.gz QBAKHXWKQOEQOG-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970291233 613371471 /nfs/dbraw/zinc/37/14/71/613371471.db2.gz AFSRRMSLLINYJK-ZYHUDNBSSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970254217 613371833 /nfs/dbraw/zinc/37/18/33/613371833.db2.gz YMFMKKLWLKFFCE-MRVPVSSYSA-N 1 2 283.763 0.916 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000970021152 613372155 /nfs/dbraw/zinc/37/21/55/613372155.db2.gz RDIZSBQMAFTPPC-QWRGUYRKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970265042 613372247 /nfs/dbraw/zinc/37/22/47/613372247.db2.gz MMARGNSJBJEUEU-ONGXEEELSA-N 1 2 285.775 0.312 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000969247905 613372392 /nfs/dbraw/zinc/37/23/92/613372392.db2.gz ZFPJKEJKZWXUFI-VIFPVBQESA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970290237 613372507 /nfs/dbraw/zinc/37/25/07/613372507.db2.gz WLPBGOUNAOVCFW-QMMMGPOBSA-N 1 2 284.751 0.013 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC000958041729 613380397 /nfs/dbraw/zinc/38/03/97/613380397.db2.gz NYZGPRYBJUSIKV-GHMZBOCLSA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC000958041729 613380398 /nfs/dbraw/zinc/38/03/98/613380398.db2.gz NYZGPRYBJUSIKV-GHMZBOCLSA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925300225 613390999 /nfs/dbraw/zinc/39/09/99/613390999.db2.gz RKPVYQSQPJYUNT-NXEZZACHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300225 613391000 /nfs/dbraw/zinc/39/10/00/613391000.db2.gz RKPVYQSQPJYUNT-NXEZZACHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)nn1 ZINC000874711208 613428354 /nfs/dbraw/zinc/42/83/54/613428354.db2.gz NSYUOJQHMJGAJV-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)nn1 ZINC000874711208 613428356 /nfs/dbraw/zinc/42/83/56/613428356.db2.gz NSYUOJQHMJGAJV-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@H]2C)nn1 ZINC000968404117 613430647 /nfs/dbraw/zinc/43/06/47/613430647.db2.gz CFPQOPCYJYCBMH-VXGBXAGGSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@H]2C)nn1 ZINC000968404117 613430649 /nfs/dbraw/zinc/43/06/49/613430649.db2.gz CFPQOPCYJYCBMH-VXGBXAGGSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@H]2C)nn1 ZINC000968404114 613431880 /nfs/dbraw/zinc/43/18/80/613431880.db2.gz CFPQOPCYJYCBMH-NEPJUHHUSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@H]2C)nn1 ZINC000968404114 613431881 /nfs/dbraw/zinc/43/18/81/613431881.db2.gz CFPQOPCYJYCBMH-NEPJUHHUSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000904127937 613474957 /nfs/dbraw/zinc/47/49/57/613474957.db2.gz CCNQBZYAWFEOSS-CYBMUJFWSA-N 1 2 295.383 0.985 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnco3)CC2)C1 ZINC000941509267 613529754 /nfs/dbraw/zinc/52/97/54/613529754.db2.gz BOQOLXVQJFQVFU-UHFFFAOYSA-N 1 2 288.351 0.140 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC000949471081 613561632 /nfs/dbraw/zinc/56/16/32/613561632.db2.gz MJYJYPDQKMXHPB-UHFFFAOYSA-N 1 2 286.379 0.885 20 30 CCEDLO C=CCCOCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827462343 613570672 /nfs/dbraw/zinc/57/06/72/613570672.db2.gz NCXIVHIEIFOKMH-UHFFFAOYSA-N 1 2 295.427 0.818 20 30 CCEDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@@H]2C1 ZINC000880311808 613630940 /nfs/dbraw/zinc/63/09/40/613630940.db2.gz GXYHDGICSJEGLN-PHIMTYICSA-N 1 2 276.365 0.925 20 30 CCEDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@@H]2C1 ZINC000880311808 613630937 /nfs/dbraw/zinc/63/09/37/613630937.db2.gz GXYHDGICSJEGLN-PHIMTYICSA-N 1 2 276.365 0.925 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409691 613648520 /nfs/dbraw/zinc/64/85/20/613648520.db2.gz CTUVIIKSSNQYHT-UONOGXRCSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409691 613648522 /nfs/dbraw/zinc/64/85/22/613648522.db2.gz CTUVIIKSSNQYHT-UONOGXRCSA-N 1 2 281.400 0.184 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925612865 613649297 /nfs/dbraw/zinc/64/92/97/613649297.db2.gz VRNVVOOJAZARCN-KBPBESRZSA-N 1 2 297.399 0.171 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@H](C)COC ZINC000853533136 613650573 /nfs/dbraw/zinc/65/05/73/613650573.db2.gz VNMWTOGEPRMAGH-LLVKDONJSA-N 1 2 297.355 0.668 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@H](C)COC ZINC000853533136 613650574 /nfs/dbraw/zinc/65/05/74/613650574.db2.gz VNMWTOGEPRMAGH-LLVKDONJSA-N 1 2 297.355 0.668 20 30 CCEDLO C=CC[N@H+](Cc1cc[nH]c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891770274 613651791 /nfs/dbraw/zinc/65/17/91/613651791.db2.gz PEXIGSAIGQAOHF-GFCCVEGCSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891770274 613651794 /nfs/dbraw/zinc/65/17/94/613651794.db2.gz PEXIGSAIGQAOHF-GFCCVEGCSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@H+](Cc1cc[nH]c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000891770276 613651948 /nfs/dbraw/zinc/65/19/48/613651948.db2.gz PEXIGSAIGQAOHF-LBPRGKRZSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000891770276 613651949 /nfs/dbraw/zinc/65/19/49/613651949.db2.gz PEXIGSAIGQAOHF-LBPRGKRZSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000950565932 613655909 /nfs/dbraw/zinc/65/59/09/613655909.db2.gz JQXPUKSVHZMAQV-UHFFFAOYSA-N 1 2 264.329 0.756 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970085034 613662202 /nfs/dbraw/zinc/66/22/02/613662202.db2.gz ZNVCPZUPTKHUJR-GHMZBOCLSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000981989191 613688911 /nfs/dbraw/zinc/68/89/11/613688911.db2.gz RAYPENILQOTAPJ-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000981989191 613688912 /nfs/dbraw/zinc/68/89/12/613688912.db2.gz RAYPENILQOTAPJ-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000957751903 613713239 /nfs/dbraw/zinc/71/32/39/613713239.db2.gz ACTQMMFKCUBRFY-ZDUSSCGKSA-N 1 2 289.383 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@]2(CC)CCNC2=O)CC1 ZINC000948862268 613713999 /nfs/dbraw/zinc/71/39/99/613713999.db2.gz LBFXNDSCAYUGGO-CQSZACIVSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000933562050 613722016 /nfs/dbraw/zinc/72/20/16/613722016.db2.gz TXUBQNQDZXCJLN-UHFFFAOYSA-N 1 2 260.345 0.639 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972219480 613723294 /nfs/dbraw/zinc/72/32/94/613723294.db2.gz YDLRFLLZIKGHHC-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972219480 613723298 /nfs/dbraw/zinc/72/32/98/613723298.db2.gz YDLRFLLZIKGHHC-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972290796 613723738 /nfs/dbraw/zinc/72/37/38/613723738.db2.gz HKNDDQMABOHLPT-HIFRSBDPSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972290796 613723739 /nfs/dbraw/zinc/72/37/39/613723739.db2.gz HKNDDQMABOHLPT-HIFRSBDPSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972294553 613726110 /nfs/dbraw/zinc/72/61/10/613726110.db2.gz MELGORZOUWEONO-DZGCQCFKSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972294553 613726113 /nfs/dbraw/zinc/72/61/13/613726113.db2.gz MELGORZOUWEONO-DZGCQCFKSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000972539307 613727099 /nfs/dbraw/zinc/72/70/99/613727099.db2.gz DDVQWWITYBOVBV-CQSZACIVSA-N 1 2 294.330 0.652 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000972539307 613727100 /nfs/dbraw/zinc/72/71/00/613727100.db2.gz DDVQWWITYBOVBV-CQSZACIVSA-N 1 2 294.330 0.652 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC000972604530 613727421 /nfs/dbraw/zinc/72/74/21/613727421.db2.gz HJFSGXLTKVRBEE-CYBMUJFWSA-N 1 2 278.312 0.173 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC000972604530 613727422 /nfs/dbraw/zinc/72/74/22/613727422.db2.gz HJFSGXLTKVRBEE-CYBMUJFWSA-N 1 2 278.312 0.173 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014321 613795779 /nfs/dbraw/zinc/79/57/79/613795779.db2.gz FAUJUINTQHZHEO-ZIAGYGMSSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014321 613795781 /nfs/dbraw/zinc/79/57/81/613795781.db2.gz FAUJUINTQHZHEO-ZIAGYGMSSA-N 1 2 295.383 0.268 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C\Cl)CC1 ZINC000807279703 613845554 /nfs/dbraw/zinc/84/55/54/613845554.db2.gz QKKQXRNKAYCMSW-ARJAWSKDSA-N 1 2 257.765 0.659 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280171 613857292 /nfs/dbraw/zinc/85/72/92/613857292.db2.gz BWKFYFCOUCPAMY-GHMZBOCLSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280171 613857294 /nfs/dbraw/zinc/85/72/94/613857294.db2.gz BWKFYFCOUCPAMY-GHMZBOCLSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1CCOCC1 ZINC000884377776 613877105 /nfs/dbraw/zinc/87/71/05/613877105.db2.gz VOICPKUNYDMRJK-LBPRGKRZSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H]1CCCOC1 ZINC000884386294 613877432 /nfs/dbraw/zinc/87/74/32/613877432.db2.gz LAYHZZVHTQYMFG-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](OC)CC1 ZINC000884393590 613877564 /nfs/dbraw/zinc/87/75/64/613877564.db2.gz HBAXWMIUYMUYCT-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CC ZINC000884099350 613877617 /nfs/dbraw/zinc/87/76/17/613877617.db2.gz LLQUDRBIDUIRQW-MNOVXSKESA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCNc2ccccc21 ZINC000884291033 613877757 /nfs/dbraw/zinc/87/77/57/613877757.db2.gz OAZDRISSEBTBOF-NSHDSACASA-N 1 2 289.335 0.892 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000884314076 613877895 /nfs/dbraw/zinc/87/78/95/613877895.db2.gz YNRBEKRGMZEFFY-TUAOUCFPSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000884053401 613878063 /nfs/dbraw/zinc/87/80/63/613878063.db2.gz VPPKWTJJUXHTCB-SRVKXCTJSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C)CCC1 ZINC000884152963 613878178 /nfs/dbraw/zinc/87/81/78/613878178.db2.gz YVZUFIUUFAAXTJ-JTQLQIEISA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1OC ZINC000884047725 613878308 /nfs/dbraw/zinc/87/83/08/613878308.db2.gz ILMFBTXHSBCGIT-LBPRGKRZSA-N 1 2 292.335 0.758 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccn1 ZINC000884395987 613878370 /nfs/dbraw/zinc/87/83/70/613878370.db2.gz QKMWFNPVKDVJOE-NEPJUHHUSA-N 1 2 291.351 0.748 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ncc(C)s1 ZINC000884227000 613878613 /nfs/dbraw/zinc/87/86/13/613878613.db2.gz GAHAWQMSFQSKII-VIFPVBQESA-N 1 2 283.353 0.514 20 30 CCEDLO C=CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775478 613879007 /nfs/dbraw/zinc/87/90/07/613879007.db2.gz QQHYKMAEINYCLQ-NEPJUHHUSA-N 1 2 255.314 0.595 20 30 CCEDLO CC(C)(C)[C@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866385665 614032328 /nfs/dbraw/zinc/03/23/28/614032328.db2.gz OWRUVAFQXMDYEU-ITKZLYELSA-N 1 2 265.357 0.929 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941127843 614603464 /nfs/dbraw/zinc/60/34/64/614603464.db2.gz WNFAFJHVRUFNKP-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000950642105 614635688 /nfs/dbraw/zinc/63/56/88/614635688.db2.gz LEQPEQZTWYSAGB-GFCCVEGCSA-N 1 2 287.367 0.502 20 30 CCEDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(C#N)o2)CO1 ZINC000878516003 614812594 /nfs/dbraw/zinc/81/25/94/614812594.db2.gz AOKXOTUEBORUJN-UHFFFAOYSA-N 1 2 266.297 0.755 20 30 CCEDLO CC1(C)[C@@H]([NH2+]Cc2cccc(C#N)n2)CS1(=O)=O ZINC000895983111 614853937 /nfs/dbraw/zinc/85/39/37/614853937.db2.gz IVOCCRGTPLDJNR-NSHDSACASA-N 1 2 265.338 0.618 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931200247 615022083 /nfs/dbraw/zinc/02/20/83/615022083.db2.gz MYLRSQFEJFWBPH-UHFFFAOYSA-N 1 2 291.355 0.246 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931200247 615022084 /nfs/dbraw/zinc/02/20/84/615022084.db2.gz MYLRSQFEJFWBPH-UHFFFAOYSA-N 1 2 291.355 0.246 20 30 CCEDLO CCN(CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H](C)C#N ZINC000853580930 615061296 /nfs/dbraw/zinc/06/12/96/615061296.db2.gz SOFBAUXBQQUWPG-NWDGAFQWSA-N 1 2 275.356 0.927 20 30 CCEDLO CCNc1ccccc1C=[NH+]NC(=S)NCC(=O)NC ZINC000872349656 615139976 /nfs/dbraw/zinc/13/99/76/615139976.db2.gz CVHZHRYSAYLQTE-UHFFFAOYSA-N 1 2 293.396 0.662 20 30 CCEDLO CCS(=O)(=O)CC(C)=NNCCCn1cc[nH+]c1 ZINC000848417933 615530080 /nfs/dbraw/zinc/53/00/80/615530080.db2.gz GXOPXQHWJOOYNT-UHFFFAOYSA-N 1 2 272.374 0.673 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971221830 615752697 /nfs/dbraw/zinc/75/26/97/615752697.db2.gz RHTBEUHYHKPFJH-RYUDHWBXSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971221830 615752699 /nfs/dbraw/zinc/75/26/99/615752699.db2.gz RHTBEUHYHKPFJH-RYUDHWBXSA-N 1 2 290.371 0.490 20 30 CCEDLO CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941347905 615776085 /nfs/dbraw/zinc/77/60/85/615776085.db2.gz GITZCZUPOUVYHO-OLZOCXBDSA-N 1 2 296.390 0.723 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000874703509 615928503 /nfs/dbraw/zinc/92/85/03/615928503.db2.gz WEYJKXRYPCEFOQ-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000874703509 615928505 /nfs/dbraw/zinc/92/85/05/615928505.db2.gz WEYJKXRYPCEFOQ-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(C)C(=O)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877150313 615971246 /nfs/dbraw/zinc/97/12/46/615971246.db2.gz OLCRQPJIEWELIH-UHFFFAOYSA-N 1 2 252.705 0.784 20 30 CCEDLO Cn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514711 616097963 /nfs/dbraw/zinc/09/79/63/616097963.db2.gz VKDRQVVACUIVHH-ZDUSSCGKSA-N 1 2 287.367 0.261 20 30 CCEDLO Cn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514711 616097964 /nfs/dbraw/zinc/09/79/64/616097964.db2.gz VKDRQVVACUIVHH-ZDUSSCGKSA-N 1 2 287.367 0.261 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@@H]1CO ZINC000913554742 616223884 /nfs/dbraw/zinc/22/38/84/616223884.db2.gz LOINDHFWLVEANA-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@@H]1CO ZINC000913554742 616223885 /nfs/dbraw/zinc/22/38/85/616223885.db2.gz LOINDHFWLVEANA-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccccc2C#N)[C@@H](CO)C1 ZINC000912750066 616223971 /nfs/dbraw/zinc/22/39/71/616223971.db2.gz SBFFUFLSPJWHNE-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccccc2C#N)[C@@H](CO)C1 ZINC000912750066 616223972 /nfs/dbraw/zinc/22/39/72/616223972.db2.gz SBFFUFLSPJWHNE-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@H+](C)CC(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000907145875 616234663 /nfs/dbraw/zinc/23/46/63/616234663.db2.gz SQZPXWNFTMNYDN-UHFFFAOYSA-N 1 2 288.351 0.696 20 30 CCEDLO CN1CC[N@@H+](C)CC(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000907145875 616234664 /nfs/dbraw/zinc/23/46/64/616234664.db2.gz SQZPXWNFTMNYDN-UHFFFAOYSA-N 1 2 288.351 0.696 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)Cc1[nH]c[nH+]c1C ZINC000871344044 616544973 /nfs/dbraw/zinc/54/49/73/616544973.db2.gz UYXMCFWZKOCPBG-UHFFFAOYSA-N 1 2 264.285 0.176 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)[nH]1 ZINC000807285100 616613804 /nfs/dbraw/zinc/61/38/04/616613804.db2.gz SKVIJZBDVFQIIP-NSHDSACASA-N 1 2 287.279 0.054 20 30 CCEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965193 616853960 /nfs/dbraw/zinc/85/39/60/616853960.db2.gz DOQHWNPNQOQUHQ-CHWSQXEVSA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965193 616853963 /nfs/dbraw/zinc/85/39/63/616853963.db2.gz DOQHWNPNQOQUHQ-CHWSQXEVSA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000879029378 616858887 /nfs/dbraw/zinc/85/88/87/616858887.db2.gz NRHVIGVTEKIDPS-JSGCOSHPSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000879029378 616858888 /nfs/dbraw/zinc/85/88/88/616858888.db2.gz NRHVIGVTEKIDPS-JSGCOSHPSA-N 1 2 284.356 0.959 20 30 CCEDLO COCCCNC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000915047887 616904948 /nfs/dbraw/zinc/90/49/48/616904948.db2.gz GYOOWCBZNJDITH-UHFFFAOYSA-N 1 2 270.402 0.569 20 30 CCEDLO COCc1ncc2c(n1)CC[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000879108757 616954083 /nfs/dbraw/zinc/95/40/83/616954083.db2.gz RFZNTCDNHJDCMD-NSHDSACASA-N 1 2 276.340 0.910 20 30 CCEDLO COCc1ncc2c(n1)CC[N@H+](CCO[C@@H](C)C#N)C2 ZINC000879108757 616954085 /nfs/dbraw/zinc/95/40/85/616954085.db2.gz RFZNTCDNHJDCMD-NSHDSACASA-N 1 2 276.340 0.910 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)CCC1(O)CCC1 ZINC000929774578 616992722 /nfs/dbraw/zinc/99/27/22/616992722.db2.gz CFEHWHVMCCQISX-CYBMUJFWSA-N 1 2 270.373 0.905 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)CCC1(O)CCC1 ZINC000929774578 616992726 /nfs/dbraw/zinc/99/27/26/616992726.db2.gz CFEHWHVMCCQISX-CYBMUJFWSA-N 1 2 270.373 0.905 20 30 CCEDLO CON=CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871544025 617104633 /nfs/dbraw/zinc/10/46/33/617104633.db2.gz XKROMUKOTILNHQ-UHFFFAOYSA-N 1 2 299.371 0.541 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@@H]2C1 ZINC001026408746 625436530 /nfs/dbraw/zinc/43/65/30/625436530.db2.gz CGDUOMPAGAXTJK-YNEHKIRRSA-N 1 2 287.367 0.611 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001026430860 625446971 /nfs/dbraw/zinc/44/69/71/625446971.db2.gz BRMNAXKORSUEQI-YNEHKIRRSA-N 1 2 273.340 0.233 20 30 CCEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000221117142 622736765 /nfs/dbraw/zinc/73/67/65/622736765.db2.gz QPNPLERLLJMZMT-BYCMXARLSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000221117142 622736768 /nfs/dbraw/zinc/73/67/68/622736768.db2.gz QPNPLERLLJMZMT-BYCMXARLSA-N 1 2 276.336 0.673 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001022929842 622855806 /nfs/dbraw/zinc/85/58/06/622855806.db2.gz UYOXSOHYWWNQCE-TXEJJXNPSA-N 1 2 296.334 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596631 623385914 /nfs/dbraw/zinc/38/59/14/623385914.db2.gz RFFJSAKYEUDKQY-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596631 623385921 /nfs/dbraw/zinc/38/59/21/623385921.db2.gz RFFJSAKYEUDKQY-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000932350400 624497889 /nfs/dbraw/zinc/49/78/89/624497889.db2.gz RXCQCWAEQANTRY-RISCZKNCSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000932350400 624497890 /nfs/dbraw/zinc/49/78/90/624497890.db2.gz RXCQCWAEQANTRY-RISCZKNCSA-N 1 2 265.357 0.906 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCC#C[C@@H]1CCCCO1 ZINC000891121747 624731715 /nfs/dbraw/zinc/73/17/15/624731715.db2.gz NFEJXAFTRKSBHZ-ZDUSSCGKSA-N 1 2 261.325 0.651 20 30 CCEDLO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000093697271 624873301 /nfs/dbraw/zinc/87/33/01/624873301.db2.gz DGSVLLRQKVDNAG-CHWSQXEVSA-N 1 2 285.413 0.894 20 30 CCEDLO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000093697271 624873302 /nfs/dbraw/zinc/87/33/02/624873302.db2.gz DGSVLLRQKVDNAG-CHWSQXEVSA-N 1 2 285.413 0.894 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001022121094 624876533 /nfs/dbraw/zinc/87/65/33/624876533.db2.gz XYEXUMAYGAHSQU-TXEJJXNPSA-N 1 2 287.367 0.522 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311646 624921014 /nfs/dbraw/zinc/92/10/14/624921014.db2.gz UZKWDIMHVCDRKH-UTUOFQBUSA-N 1 2 273.340 0.206 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933831369 624945487 /nfs/dbraw/zinc/94/54/87/624945487.db2.gz YNDCQWLBPBEOBQ-GHMZBOCLSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933831369 624945491 /nfs/dbraw/zinc/94/54/91/624945491.db2.gz YNDCQWLBPBEOBQ-GHMZBOCLSA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]2CO)c1 ZINC000934023606 625005862 /nfs/dbraw/zinc/00/58/62/625005862.db2.gz JTQIBLFXSOZTIP-ZDUSSCGKSA-N 1 2 259.309 0.241 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]2CO)c1 ZINC000934023606 625005864 /nfs/dbraw/zinc/00/58/64/625005864.db2.gz JTQIBLFXSOZTIP-ZDUSSCGKSA-N 1 2 259.309 0.241 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449244 625888148 /nfs/dbraw/zinc/88/81/48/625888148.db2.gz VNFWNYJRKZSDDX-YNEHKIRRSA-N 1 2 287.367 0.960 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449244 625888149 /nfs/dbraw/zinc/88/81/49/625888149.db2.gz VNFWNYJRKZSDDX-YNEHKIRRSA-N 1 2 287.367 0.960 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)CC#N)C1 ZINC001027663812 630841032 /nfs/dbraw/zinc/84/10/32/630841032.db2.gz KKFFSXGOVYHVET-GFCCVEGCSA-N 1 2 275.356 0.707 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000980838317 631066321 /nfs/dbraw/zinc/06/63/21/631066321.db2.gz MOHVGKILDARQTQ-RYUDHWBXSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000980838317 631066323 /nfs/dbraw/zinc/06/63/23/631066323.db2.gz MOHVGKILDARQTQ-RYUDHWBXSA-N 1 2 292.383 0.347 20 30 CCEDLO N#CCN[C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409746 631275339 /nfs/dbraw/zinc/27/53/39/631275339.db2.gz IAKYBWLVFRAIBU-WDEREUQCSA-N 1 2 261.329 0.493 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933798 631339774 /nfs/dbraw/zinc/33/97/74/631339774.db2.gz VPBQGISUDVXMEL-LBPRGKRZSA-N 1 2 287.367 0.887 20 30 CCEDLO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000982599479 631560648 /nfs/dbraw/zinc/56/06/48/631560648.db2.gz NOCMBAYXUWJDLU-GASCZTMLSA-N 1 2 287.367 0.646 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)NCC#C[C@H]1CCCCO1 ZINC000894913391 631881519 /nfs/dbraw/zinc/88/15/19/631881519.db2.gz MVJGPGQCUACQHX-CYBMUJFWSA-N 1 2 276.340 0.792 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2nccn2C2CC2)CCCN1O ZINC000895191632 632019637 /nfs/dbraw/zinc/01/96/37/632019637.db2.gz BWEUUBSPRXCMSH-JTQLQIEISA-N 1 2 250.302 0.688 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)NCC#C[C@@H]2CCCCO2)c1 ZINC000895292043 632046961 /nfs/dbraw/zinc/04/69/61/632046961.db2.gz RPBMALVRICVHST-AWEZNQCLSA-N 1 2 290.367 0.834 20 30 CCEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000896956100 632368288 /nfs/dbraw/zinc/36/82/88/632368288.db2.gz OPMWUFBCXOUHNK-OAHLLOKOSA-N 1 2 298.390 0.905 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734986 650089665 /nfs/dbraw/zinc/08/96/65/650089665.db2.gz AKAXAUIBICUOPP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007734986 650089666 /nfs/dbraw/zinc/08/96/66/650089666.db2.gz AKAXAUIBICUOPP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H](NCC#N)[C@H]1C ZINC000986421273 632754132 /nfs/dbraw/zinc/75/41/32/632754132.db2.gz YNOJTIQWMKMCRL-DGCLKSJQSA-N 1 2 288.351 0.735 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987340110 632859253 /nfs/dbraw/zinc/85/92/53/632859253.db2.gz DCKZAPQAHJIZTH-ZYHUDNBSSA-N 1 2 261.329 0.065 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(CC#N)C1 ZINC001009347322 650142986 /nfs/dbraw/zinc/14/29/86/650142986.db2.gz RBBBRHPMZDBUMS-LLVKDONJSA-N 1 2 261.329 0.365 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@@H](C#N)C2)C1 ZINC000905721744 634902496 /nfs/dbraw/zinc/90/24/96/634902496.db2.gz BWTDBJYPRPZILS-STQMWFEESA-N 1 2 287.367 0.929 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646974 650250410 /nfs/dbraw/zinc/25/04/10/650250410.db2.gz XNAPPXFUSHKKJI-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646974 650250411 /nfs/dbraw/zinc/25/04/11/650250411.db2.gz XNAPPXFUSHKKJI-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010697625 650254751 /nfs/dbraw/zinc/25/47/51/650254751.db2.gz WKAZLRXIPIOREX-RYUDHWBXSA-N 1 2 287.791 0.260 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010697625 650254752 /nfs/dbraw/zinc/25/47/52/650254752.db2.gz WKAZLRXIPIOREX-RYUDHWBXSA-N 1 2 287.791 0.260 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc(C)c1C#N ZINC000912751194 636669978 /nfs/dbraw/zinc/66/99/78/636669978.db2.gz ZNMDLCHXTOKNGT-CQSZACIVSA-N 1 2 287.363 0.924 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc(C)c1C#N ZINC000912751194 636669988 /nfs/dbraw/zinc/66/99/88/636669988.db2.gz ZNMDLCHXTOKNGT-CQSZACIVSA-N 1 2 287.363 0.924 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015260776 637508862 /nfs/dbraw/zinc/50/88/62/637508862.db2.gz ZYNJEINAMMDUHJ-NSHDSACASA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015260776 637508865 /nfs/dbraw/zinc/50/88/65/637508865.db2.gz ZYNJEINAMMDUHJ-NSHDSACASA-N 1 2 273.336 0.991 20 30 CCEDLO C[C@H]1CN(C(=O)CO[NH+]=C(N)Cc2cccnc2)CCO1 ZINC000179924988 638249018 /nfs/dbraw/zinc/24/90/18/638249018.db2.gz RRGDRYXZBYTBMP-NSHDSACASA-N 1 2 292.339 0.160 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015989132 638863061 /nfs/dbraw/zinc/86/30/61/638863061.db2.gz MPIKLDNALWAPRJ-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015989132 638863062 /nfs/dbraw/zinc/86/30/62/638863062.db2.gz MPIKLDNALWAPRJ-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015989132 638863063 /nfs/dbraw/zinc/86/30/63/638863063.db2.gz MPIKLDNALWAPRJ-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015989132 638863065 /nfs/dbraw/zinc/86/30/65/638863065.db2.gz MPIKLDNALWAPRJ-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016355076 639489100 /nfs/dbraw/zinc/48/91/00/639489100.db2.gz TZYBEBMRTQRFIV-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016355076 639489103 /nfs/dbraw/zinc/48/91/03/639489103.db2.gz TZYBEBMRTQRFIV-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014984354 650510965 /nfs/dbraw/zinc/51/09/65/650510965.db2.gz SFRJEBKJPBRFFR-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001015274445 650548516 /nfs/dbraw/zinc/54/85/16/650548516.db2.gz PDGHAXQUZRDMLQ-NSHDSACASA-N 1 2 289.335 0.211 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001015274445 650548519 /nfs/dbraw/zinc/54/85/19/650548519.db2.gz PDGHAXQUZRDMLQ-NSHDSACASA-N 1 2 289.335 0.211 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(CC#N)[C@H](C)C1 ZINC000947975143 640084083 /nfs/dbraw/zinc/08/40/83/640084083.db2.gz KLSYQFGHHWDAIS-ZYHUDNBSSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921490 640673971 /nfs/dbraw/zinc/67/39/71/640673971.db2.gz FBHYXPBUQQPLSP-QWRGUYRKSA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921490 640673976 /nfs/dbraw/zinc/67/39/76/640673976.db2.gz FBHYXPBUQQPLSP-QWRGUYRKSA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000801934822 640678344 /nfs/dbraw/zinc/67/83/44/640678344.db2.gz RAYBPYIFIKRQLI-SECBINFHSA-N 1 2 282.373 0.171 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015692259 650610845 /nfs/dbraw/zinc/61/08/45/650610845.db2.gz ZLBCZRXIFZPQED-QWRGUYRKSA-N 1 2 273.340 0.544 20 30 CCEDLO CON=CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000809800085 640906836 /nfs/dbraw/zinc/90/68/36/640906836.db2.gz HUBNUICCKSWNBY-UHFFFAOYSA-N 1 2 290.323 0.101 20 30 CCEDLO CON=CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000809800085 640906837 /nfs/dbraw/zinc/90/68/37/640906837.db2.gz HUBNUICCKSWNBY-UHFFFAOYSA-N 1 2 290.323 0.101 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC[C@@H]1CCSC1 ZINC000811660166 640984568 /nfs/dbraw/zinc/98/45/68/640984568.db2.gz ICIWKWJVUKOOHP-QMMMGPOBSA-N 1 2 267.358 0.744 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000813256662 641026752 /nfs/dbraw/zinc/02/67/52/641026752.db2.gz IPYLYCUOVIOPNA-UHFFFAOYSA-N 1 2 283.287 0.817 20 30 CCEDLO Cc1nc(N2CC[NH+](CC[S@](C)=O)CC2)ccc1C#N ZINC000813595905 641040748 /nfs/dbraw/zinc/04/07/48/641040748.db2.gz LJXZGBOVLOFOLM-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001015936156 650659548 /nfs/dbraw/zinc/65/95/48/650659548.db2.gz GOQYYIMTCGGJBG-SNVBAGLBSA-N 1 2 292.360 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001015936156 650659549 /nfs/dbraw/zinc/65/95/49/650659549.db2.gz GOQYYIMTCGGJBG-SNVBAGLBSA-N 1 2 292.360 0.957 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016140906 650689649 /nfs/dbraw/zinc/68/96/49/650689649.db2.gz IZQYVMAXEZYJAE-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001016140906 650689650 /nfs/dbraw/zinc/68/96/50/650689650.db2.gz IZQYVMAXEZYJAE-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO CC(C)C#CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000826948443 641970140 /nfs/dbraw/zinc/97/01/40/641970140.db2.gz YUVCHUTXOSRGOT-UHFFFAOYSA-N 1 2 290.367 0.813 20 30 CCEDLO C[C@@H]1CC(NC(=O)C=CC[NH+]2CCOCC2)=NO1 ZINC000867063239 642175060 /nfs/dbraw/zinc/17/50/60/642175060.db2.gz RRRASKADYPPFSG-MXQLGCADSA-N 1 2 253.302 0.113 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841572753 642825053 /nfs/dbraw/zinc/82/50/53/642825053.db2.gz GRZASDWEDTVAFM-STQMWFEESA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841572753 642825059 /nfs/dbraw/zinc/82/50/59/642825059.db2.gz GRZASDWEDTVAFM-STQMWFEESA-N 1 2 288.413 0.117 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001017384902 650798566 /nfs/dbraw/zinc/79/85/66/650798566.db2.gz QGTUZIDNUBLAQJ-TXEJJXNPSA-N 1 2 259.309 0.987 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001017384902 650798568 /nfs/dbraw/zinc/79/85/68/650798568.db2.gz QGTUZIDNUBLAQJ-TXEJJXNPSA-N 1 2 259.309 0.987 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ncn1 ZINC001017557656 650810981 /nfs/dbraw/zinc/81/09/81/650810981.db2.gz HQSJIIJDXWRUCB-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ncn1 ZINC001017557656 650810982 /nfs/dbraw/zinc/81/09/82/650810982.db2.gz HQSJIIJDXWRUCB-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001017858570 650826697 /nfs/dbraw/zinc/82/66/97/650826697.db2.gz ITXPVDDPSLWPFF-XQQFMLRXSA-N 1 2 299.378 0.533 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001017858570 650826699 /nfs/dbraw/zinc/82/66/99/650826699.db2.gz ITXPVDDPSLWPFF-XQQFMLRXSA-N 1 2 299.378 0.533 20 30 CCEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c1 ZINC001017872623 650828560 /nfs/dbraw/zinc/82/85/60/650828560.db2.gz RMJARGAYLNHGQJ-OKILXGFUSA-N 1 2 298.346 0.219 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c1 ZINC001017872623 650828562 /nfs/dbraw/zinc/82/85/62/650828562.db2.gz RMJARGAYLNHGQJ-OKILXGFUSA-N 1 2 298.346 0.219 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(OC)n1 ZINC001018031307 650840262 /nfs/dbraw/zinc/84/02/62/650840262.db2.gz DWADCWVJQSUXON-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(OC)n1 ZINC001018031307 650840264 /nfs/dbraw/zinc/84/02/64/650840264.db2.gz DWADCWVJQSUXON-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1C ZINC001018069332 650841879 /nfs/dbraw/zinc/84/18/79/650841879.db2.gz PDLRQTWXVOCXBR-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1C ZINC001018069332 650841882 /nfs/dbraw/zinc/84/18/82/650841882.db2.gz PDLRQTWXVOCXBR-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)c2ncnn21 ZINC000848416231 643634740 /nfs/dbraw/zinc/63/47/40/643634740.db2.gz CZOIBQNHPLZNBA-SNVBAGLBSA-N 1 2 259.317 0.823 20 30 CCEDLO Cc1onc(CC(=O)NOCC[NH+](C)C)c1C#N ZINC000854945804 644275225 /nfs/dbraw/zinc/27/52/25/644275225.db2.gz QCWSCUREEDCHSX-UHFFFAOYSA-N 1 2 252.274 0.007 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976775 644587244 /nfs/dbraw/zinc/58/72/44/644587244.db2.gz LMAUZKFPRPGOSG-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982803 644588053 /nfs/dbraw/zinc/58/80/53/644588053.db2.gz LWVHVPOBEKCQAN-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO O=S1(=O)CCC[C@H](NN=C2CC[N@@H+]3CCC[C@H]23)C1 ZINC000863134363 645063309 /nfs/dbraw/zinc/06/33/09/645063309.db2.gz PYTMAONVPLFXGK-CMPLNLGQSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC[C@H](NN=C2CC[N@H+]3CCC[C@H]23)C1 ZINC000863134363 645063314 /nfs/dbraw/zinc/06/33/14/645063314.db2.gz PYTMAONVPLFXGK-CMPLNLGQSA-N 1 2 271.386 0.377 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000866546863 645543330 /nfs/dbraw/zinc/54/33/30/645543330.db2.gz YOFKCSNHSWHFAY-ZFWWWQNUSA-N 1 2 293.367 0.240 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)co1 ZINC000866546865 645544066 /nfs/dbraw/zinc/54/40/66/645544066.db2.gz YPCFFMWHSCZSLZ-GFCCVEGCSA-N 1 2 275.308 0.698 20 30 CCEDLO N#CCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058758 645955131 /nfs/dbraw/zinc/95/51/31/645955131.db2.gz ALSHXRZVOXZEPC-CYBMUJFWSA-N 1 2 281.356 0.240 20 30 CCEDLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCCN(O)C1=O ZINC000878774771 646977870 /nfs/dbraw/zinc/97/78/70/646977870.db2.gz UVMNETIUZYSKSK-SNVBAGLBSA-N 1 2 289.295 0.836 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000128692842 647270813 /nfs/dbraw/zinc/27/08/13/647270813.db2.gz ROYXKICYPLKXLE-LLVKDONJSA-N 1 2 258.325 0.554 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2COC(C)(C)O2)nn1 ZINC000881393874 647308561 /nfs/dbraw/zinc/30/85/61/647308561.db2.gz MEQFXMYRFDGBCH-CYBMUJFWSA-N 1 2 278.356 0.933 20 30 CCEDLO C#C[C@H]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000882516946 647413743 /nfs/dbraw/zinc/41/37/43/647413743.db2.gz IVLCXNGHNQNJBP-JOCQHMNTSA-N 1 2 281.381 0.995 20 30 CCEDLO C=C(Br)C[NH+]1CCC(O)(COCCO)CC1 ZINC000886740560 648004117 /nfs/dbraw/zinc/00/41/17/648004117.db2.gz AMEYYVHTLKOVQK-UHFFFAOYSA-N 1 2 294.189 0.731 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCc1nc(C#N)cs1 ZINC000887979226 648179469 /nfs/dbraw/zinc/17/94/69/648179469.db2.gz YGIWOTWUUSUHSY-UHFFFAOYSA-N 1 2 275.337 0.997 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930135062 648829511 /nfs/dbraw/zinc/82/95/11/648829511.db2.gz KUCYOVFAZAJVON-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930135062 648829513 /nfs/dbraw/zinc/82/95/13/648829513.db2.gz KUCYOVFAZAJVON-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC[S@](=O)C(F)(F)F)C1 ZINC000930818399 648910207 /nfs/dbraw/zinc/91/02/07/648910207.db2.gz HFABBRZJWNSWMF-QPFGOUBPSA-N 1 2 270.276 0.605 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC[S@](=O)C(F)(F)F)C1 ZINC000930818399 648910212 /nfs/dbraw/zinc/91/02/12/648910212.db2.gz HFABBRZJWNSWMF-QPFGOUBPSA-N 1 2 270.276 0.605 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000078472197 649480887 /nfs/dbraw/zinc/48/08/87/649480887.db2.gz CRXZYYCWLNSOPL-NSHDSACASA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000078472197 649480889 /nfs/dbraw/zinc/48/08/89/649480889.db2.gz CRXZYYCWLNSOPL-NSHDSACASA-N 1 2 254.330 0.516 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001266272651 790374254 /nfs/dbraw/zinc/37/42/54/790374254.db2.gz ZYOPOOSUGZAEGV-HNNXBMFYSA-N 1 2 292.383 0.660 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001266272651 790374269 /nfs/dbraw/zinc/37/42/69/790374269.db2.gz ZYOPOOSUGZAEGV-HNNXBMFYSA-N 1 2 292.383 0.660 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001266275174 790380902 /nfs/dbraw/zinc/38/09/02/790380902.db2.gz PMUASMLYRSEHJE-CYBMUJFWSA-N 1 2 290.367 0.371 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001266275174 790380913 /nfs/dbraw/zinc/38/09/13/790380913.db2.gz PMUASMLYRSEHJE-CYBMUJFWSA-N 1 2 290.367 0.371 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC(F)(F)F)CC1 ZINC001266281000 790390679 /nfs/dbraw/zinc/39/06/79/790390679.db2.gz BADJNZIMYALHNH-UHFFFAOYSA-N 1 2 277.290 0.306 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC001039025121 790401603 /nfs/dbraw/zinc/40/16/03/790401603.db2.gz HZXLGRSBBUNXFC-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC001039025121 790401610 /nfs/dbraw/zinc/40/16/10/790401610.db2.gz HZXLGRSBBUNXFC-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001039031866 790415403 /nfs/dbraw/zinc/41/54/03/790415403.db2.gz ITUQJYPOXKGAIF-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001039031866 790415409 /nfs/dbraw/zinc/41/54/09/790415409.db2.gz ITUQJYPOXKGAIF-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001266314170 790489662 /nfs/dbraw/zinc/48/96/62/790489662.db2.gz GUSDKFFVEFEABD-QJGQKNTRSA-N 1 2 265.357 0.445 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001266314170 790489666 /nfs/dbraw/zinc/48/96/66/790489666.db2.gz GUSDKFFVEFEABD-QJGQKNTRSA-N 1 2 265.357 0.445 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266363653 790593763 /nfs/dbraw/zinc/59/37/63/790593763.db2.gz LARUNBHYJOLVET-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266363653 790593776 /nfs/dbraw/zinc/59/37/76/790593776.db2.gz LARUNBHYJOLVET-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO C#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC001266428437 790686903 /nfs/dbraw/zinc/68/69/03/790686903.db2.gz PQUUYBDLZRPXIK-UHFFFAOYSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CC[N@@H+](CC)CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC001266428437 790686907 /nfs/dbraw/zinc/68/69/07/790686907.db2.gz PQUUYBDLZRPXIK-UHFFFAOYSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001266477991 790772958 /nfs/dbraw/zinc/77/29/58/790772958.db2.gz YGFIIGXBFWZONL-TZMCWYRMSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001266477991 790772964 /nfs/dbraw/zinc/77/29/64/790772964.db2.gz YGFIIGXBFWZONL-TZMCWYRMSA-N 1 2 297.374 0.311 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCCCOC ZINC001266498710 790794232 /nfs/dbraw/zinc/79/42/32/790794232.db2.gz AMYOMMOIFOJYQH-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCCCOC ZINC001266498710 790794242 /nfs/dbraw/zinc/79/42/42/790794242.db2.gz AMYOMMOIFOJYQH-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ncccn2)c1 ZINC001125391252 790873159 /nfs/dbraw/zinc/87/31/59/790873159.db2.gz VNTFBHPOEVFZKX-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730285 805657971 /nfs/dbraw/zinc/65/79/71/805657971.db2.gz AJQKDQPXHFTPAK-AWEZNQCLSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730285 805657979 /nfs/dbraw/zinc/65/79/79/805657979.db2.gz AJQKDQPXHFTPAK-AWEZNQCLSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230990045 805704768 /nfs/dbraw/zinc/70/47/68/805704768.db2.gz UHKLQRVJGFXFSL-LVOZBFFPSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230990045 805704774 /nfs/dbraw/zinc/70/47/74/805704774.db2.gz UHKLQRVJGFXFSL-LVOZBFFPSA-N 1 2 291.395 0.625 20 30 CCEDLO N#Cc1cccc(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c1 ZINC001277478248 805707168 /nfs/dbraw/zinc/70/71/68/805707168.db2.gz GJHZTSUACCGUBB-YJNKXOJESA-N 1 2 285.347 0.757 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c1 ZINC001277478248 805707170 /nfs/dbraw/zinc/70/71/70/805707170.db2.gz GJHZTSUACCGUBB-YJNKXOJESA-N 1 2 285.347 0.757 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)COC ZINC001231215403 805753668 /nfs/dbraw/zinc/75/36/68/805753668.db2.gz GEQKQGUCUCVRQQ-KGLIPLIRSA-N 1 2 282.384 0.451 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)COC ZINC001231215403 805753670 /nfs/dbraw/zinc/75/36/70/805753670.db2.gz GEQKQGUCUCVRQQ-KGLIPLIRSA-N 1 2 282.384 0.451 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247626 805759150 /nfs/dbraw/zinc/75/91/50/805759150.db2.gz PSXYJPYJBOJQSJ-OLZOCXBDSA-N 1 2 294.399 0.546 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247626 805759155 /nfs/dbraw/zinc/75/91/55/805759155.db2.gz PSXYJPYJBOJQSJ-OLZOCXBDSA-N 1 2 294.399 0.546 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(C#N)n(C)n1 ZINC001231352750 805780362 /nfs/dbraw/zinc/78/03/62/805780362.db2.gz PEGOKVLFUNHSTF-JTQLQIEISA-N 1 2 250.302 0.391 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001277555288 805843478 /nfs/dbraw/zinc/84/34/78/805843478.db2.gz NIKUZWOOZKVXEF-SNVBAGLBSA-N 1 2 271.386 0.421 20 30 CCEDLO CC1(C)CN(Cc2cc(C#N)ccn2)CC[N@@H+]1CC(N)=O ZINC001232478748 805945611 /nfs/dbraw/zinc/94/56/11/805945611.db2.gz KIESADDMVQFGIP-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2cc(C#N)ccn2)CC[N@H+]1CC(N)=O ZINC001232478748 805945615 /nfs/dbraw/zinc/94/56/15/805945615.db2.gz KIESADDMVQFGIP-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c[nH]c3ncncc23)CC1 ZINC001232658642 805967626 /nfs/dbraw/zinc/96/76/26/805967626.db2.gz HQIZUOLKXQHXID-UHFFFAOYSA-N 1 2 255.325 0.660 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c1 ZINC001232678907 805969980 /nfs/dbraw/zinc/96/99/80/805969980.db2.gz UNYNBNDJRZLWPI-CYBMUJFWSA-N 1 2 287.319 0.307 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c1 ZINC001232678907 805969985 /nfs/dbraw/zinc/96/99/85/805969985.db2.gz UNYNBNDJRZLWPI-CYBMUJFWSA-N 1 2 287.319 0.307 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213357012 791386533 /nfs/dbraw/zinc/38/65/33/791386533.db2.gz GSSGNXSMJPCRIJ-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213357012 791386539 /nfs/dbraw/zinc/38/65/39/791386539.db2.gz GSSGNXSMJPCRIJ-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724643686 791688507 /nfs/dbraw/zinc/68/85/07/791688507.db2.gz VNUOEDRGBNIUPE-AGIUHOORSA-N 1 2 254.330 0.652 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724643686 791688511 /nfs/dbraw/zinc/68/85/11/791688511.db2.gz VNUOEDRGBNIUPE-AGIUHOORSA-N 1 2 254.330 0.652 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233762664 806118555 /nfs/dbraw/zinc/11/85/55/806118555.db2.gz UMCYZRIDYNFDSM-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233762664 806118559 /nfs/dbraw/zinc/11/85/59/806118559.db2.gz UMCYZRIDYNFDSM-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001234162225 806194510 /nfs/dbraw/zinc/19/45/10/806194510.db2.gz QJRHUUVSJQUZNK-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001234162225 806194514 /nfs/dbraw/zinc/19/45/14/806194514.db2.gz QJRHUUVSJQUZNK-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO N#CCCN1CCC[C@@]2(C1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC001277938578 806410128 /nfs/dbraw/zinc/41/01/28/806410128.db2.gz AXLNUHUMGMNJCQ-OAHLLOKOSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCCN1CCC[C@@]2(C1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC001277938578 806410134 /nfs/dbraw/zinc/41/01/34/806410134.db2.gz AXLNUHUMGMNJCQ-OAHLLOKOSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCC[N@@H+]1CCC[C@]2(CN(Cc3cn[nH]c3)CCO2)C1 ZINC001277938578 806410138 /nfs/dbraw/zinc/41/01/38/806410138.db2.gz AXLNUHUMGMNJCQ-OAHLLOKOSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCC[N@H+]1CCC[C@]2(CN(Cc3cn[nH]c3)CCO2)C1 ZINC001277938578 806410141 /nfs/dbraw/zinc/41/01/41/806410141.db2.gz AXLNUHUMGMNJCQ-OAHLLOKOSA-N 1 2 289.383 0.990 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC001235684333 806492955 /nfs/dbraw/zinc/49/29/55/806492955.db2.gz XGZAZSXPLUWBEY-LLVKDONJSA-N 1 2 295.387 0.815 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC001235684333 806492959 /nfs/dbraw/zinc/49/29/59/806492959.db2.gz XGZAZSXPLUWBEY-LLVKDONJSA-N 1 2 295.387 0.815 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)s1 ZINC001278054076 806640803 /nfs/dbraw/zinc/64/08/03/806640803.db2.gz NHIMOHVDSLMIEF-ONGXEEELSA-N 1 2 298.412 0.940 20 30 CCEDLO COc1ccc(C#N)cc1NS(=O)(=O)CC[NH3+] ZINC001237700106 806711406 /nfs/dbraw/zinc/71/14/06/806711406.db2.gz ZBMDRICVJIVFGT-UHFFFAOYSA-N 1 2 255.299 0.267 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123795173 799476308 /nfs/dbraw/zinc/47/63/08/799476308.db2.gz PXDRNKOCEDWDEU-VXGBXAGGSA-N 1 2 254.378 0.448 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123795173 799476311 /nfs/dbraw/zinc/47/63/11/799476311.db2.gz PXDRNKOCEDWDEU-VXGBXAGGSA-N 1 2 254.378 0.448 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001124054227 799546312 /nfs/dbraw/zinc/54/63/12/799546312.db2.gz HAVHYZCQNPBIIC-OAHLLOKOSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001124054227 799546317 /nfs/dbraw/zinc/54/63/17/799546317.db2.gz HAVHYZCQNPBIIC-OAHLLOKOSA-N 1 2 294.395 0.738 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCSC[C@H]1C#N ZINC001137891964 799693558 /nfs/dbraw/zinc/69/35/58/799693558.db2.gz JSQMYFCMVPDBLH-SECBINFHSA-N 1 2 250.327 0.728 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001278255666 806794069 /nfs/dbraw/zinc/79/40/69/806794069.db2.gz DMPHBLUSARNWEY-STQMWFEESA-N 1 2 299.396 0.167 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001278255666 806794073 /nfs/dbraw/zinc/79/40/73/806794073.db2.gz DMPHBLUSARNWEY-STQMWFEESA-N 1 2 299.396 0.167 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ncc(Br)cn2)CC1 ZINC001141676300 800028968 /nfs/dbraw/zinc/02/89/68/800028968.db2.gz OSWFIOIPFKPZKZ-UHFFFAOYSA-N 1 2 295.184 0.990 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001149989894 800311360 /nfs/dbraw/zinc/31/13/60/800311360.db2.gz PROIWUINBOYQEW-NSHDSACASA-N 1 2 278.287 0.549 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001149989894 800311363 /nfs/dbraw/zinc/31/13/63/800311363.db2.gz PROIWUINBOYQEW-NSHDSACASA-N 1 2 278.287 0.549 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000401846576 800313948 /nfs/dbraw/zinc/31/39/48/800313948.db2.gz JXXVFLQXSWLEBG-LLVKDONJSA-N 1 2 254.334 0.214 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206641464 800428799 /nfs/dbraw/zinc/42/87/99/800428799.db2.gz UEVNDGGFVZYJSA-DMDPSCGWSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206641464 800428801 /nfs/dbraw/zinc/42/88/01/800428801.db2.gz UEVNDGGFVZYJSA-DMDPSCGWSA-N 1 2 292.383 0.109 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151969185 800474697 /nfs/dbraw/zinc/47/46/97/800474697.db2.gz XKNBEGDNBLOBEF-SNVBAGLBSA-N 1 2 255.281 0.500 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc3cncnc3[nH]2)CC1 ZINC001152991174 800578125 /nfs/dbraw/zinc/57/81/25/800578125.db2.gz GNSZFPOINGKRFV-UHFFFAOYSA-N 1 2 271.324 0.853 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001153081365 800593658 /nfs/dbraw/zinc/59/36/58/800593658.db2.gz QARFTXKLUKXTST-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001153080848 800593856 /nfs/dbraw/zinc/59/38/56/800593856.db2.gz GHQIENFSZAUZAE-UHFFFAOYSA-N 1 2 270.358 0.337 20 30 CCEDLO CN(CC#N)C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154219675 800742539 /nfs/dbraw/zinc/74/25/39/800742539.db2.gz YLPCDTSWTZKPTJ-UHFFFAOYSA-N 1 2 250.327 0.727 20 30 CCEDLO CN(CC#N)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154219675 800742544 /nfs/dbraw/zinc/74/25/44/800742544.db2.gz YLPCDTSWTZKPTJ-UHFFFAOYSA-N 1 2 250.327 0.727 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@H+](C)CCO2)ncc1C#N ZINC001155193688 800927662 /nfs/dbraw/zinc/92/76/62/800927662.db2.gz JZUURNDKEAAPKW-SNVBAGLBSA-N 1 2 263.301 0.099 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC001155193688 800927664 /nfs/dbraw/zinc/92/76/64/800927664.db2.gz JZUURNDKEAAPKW-SNVBAGLBSA-N 1 2 263.301 0.099 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1NC[C@H]1C[N@H+](C)CCO1 ZINC001155201811 800930969 /nfs/dbraw/zinc/93/09/69/800930969.db2.gz SAIXBMKVLHIOAI-JTQLQIEISA-N 1 2 286.339 0.525 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001155201811 800930971 /nfs/dbraw/zinc/93/09/71/800930971.db2.gz SAIXBMKVLHIOAI-JTQLQIEISA-N 1 2 286.339 0.525 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nncn32)CC1 ZINC001156064634 801106102 /nfs/dbraw/zinc/10/61/02/801106102.db2.gz VWFKLLIFELHKNK-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3c(C#N)c[nH]c3n2)C[NH2+]1 ZINC001156248580 801139231 /nfs/dbraw/zinc/13/92/31/801139231.db2.gz FDRWTWAWLZDYRJ-ONGXEEELSA-N 1 2 285.307 0.750 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1cncc(Cl)n1 ZINC001156332727 801152031 /nfs/dbraw/zinc/15/20/31/801152031.db2.gz NPSHKOMLCFAUGI-XVKPBYJWSA-N 1 2 271.683 0.559 20 30 CCEDLO N#C[C@H]1CNCCN1c1cc(-n2cc[nH+]c2)ccn1 ZINC001156332336 801152211 /nfs/dbraw/zinc/15/22/11/801152211.db2.gz JRYFKGJGGQWCTJ-LBPRGKRZSA-N 1 2 254.297 0.569 20 30 CCEDLO C[NH+]1CCN(C(=O)c2[nH]nc3cc(C#N)ccc32)CC1 ZINC001156876495 801252278 /nfs/dbraw/zinc/25/22/78/801252278.db2.gz CNAMUVSTRLRUNG-UHFFFAOYSA-N 1 2 269.308 0.822 20 30 CCEDLO C[NH+]1CCN(C(=O)c2n[nH]c3cc(C#N)ccc32)CC1 ZINC001156876495 801252282 /nfs/dbraw/zinc/25/22/82/801252282.db2.gz CNAMUVSTRLRUNG-UHFFFAOYSA-N 1 2 269.308 0.822 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001157870148 801508205 /nfs/dbraw/zinc/50/82/05/801508205.db2.gz XJQUXROAGHFTDU-NSHDSACASA-N 1 2 294.355 0.266 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)cc2C#N)C[NH2+]1 ZINC001158254862 801604977 /nfs/dbraw/zinc/60/49/77/801604977.db2.gz VZCKYSRQZKHYCF-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO C=CCOC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001204385601 801661426 /nfs/dbraw/zinc/66/14/26/801661426.db2.gz JJTYWDBQLXFUQZ-UHFFFAOYSA-N 1 2 264.329 0.860 20 30 CCEDLO COc1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)ncc1C#N ZINC001159293492 801787237 /nfs/dbraw/zinc/78/72/37/801787237.db2.gz URKRIWBCPVOOHA-UHFFFAOYSA-N 1 2 273.296 0.663 20 30 CCEDLO Cc1nc(-n2cncn2)cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]1 ZINC001160178896 801917334 /nfs/dbraw/zinc/91/73/34/801917334.db2.gz OXJGOAZLXDMVAB-CPCISQLKSA-N 1 2 289.299 0.014 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncccc1C#N ZINC001160690966 802000723 /nfs/dbraw/zinc/00/07/23/802000723.db2.gz KOBQPIXIMHTMJP-LBPRGKRZSA-N 1 2 285.307 0.883 20 30 CCEDLO Cc1cc(NC2CN(c3cccc[nH+]3)C2)nc(C#N)n1 ZINC001161321132 802125768 /nfs/dbraw/zinc/12/57/68/802125768.db2.gz ZGTHCWCXBUNPAC-UHFFFAOYSA-N 1 2 266.308 0.774 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001278843834 808319854 /nfs/dbraw/zinc/31/98/54/808319854.db2.gz PDYDOLRMCNJMIO-CYBMUJFWSA-N 1 2 284.400 0.931 20 30 CCEDLO CCc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001265303702 809753234 /nfs/dbraw/zinc/75/32/34/809753234.db2.gz NKGQYOXUWQRIEX-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO CCc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001265303702 809753239 /nfs/dbraw/zinc/75/32/39/809753239.db2.gz NKGQYOXUWQRIEX-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cnc3c(C#N)c[nH]c3c2)C[NH2+]1 ZINC001164308446 802716748 /nfs/dbraw/zinc/71/67/48/802716748.db2.gz KRQHPABPUUKWCM-JQWIXIFHSA-N 1 2 285.307 0.750 20 30 CCEDLO COC(=O)CSc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164651431 802775342 /nfs/dbraw/zinc/77/53/42/802775342.db2.gz GXSQYIIBTZJOTH-SNVBAGLBSA-N 1 2 292.364 0.648 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C=C(CC)CC ZINC001268232736 812393011 /nfs/dbraw/zinc/39/30/11/812393011.db2.gz QPJUNDPQBGEAAE-UHFFFAOYSA-N 1 2 293.411 0.872 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C=C(CC)CC ZINC001268232736 812393019 /nfs/dbraw/zinc/39/30/19/812393019.db2.gz QPJUNDPQBGEAAE-UHFFFAOYSA-N 1 2 293.411 0.872 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)C1CC1 ZINC001206765612 803284225 /nfs/dbraw/zinc/28/42/25/803284225.db2.gz BQVISZQNKXMBCC-NTZNESFSSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C1CC1 ZINC001206765612 803284226 /nfs/dbraw/zinc/28/42/26/803284226.db2.gz BQVISZQNKXMBCC-NTZNESFSSA-N 1 2 292.383 0.109 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208129614 803494209 /nfs/dbraw/zinc/49/42/09/803494209.db2.gz YQMNDZWGPCBLGE-LALPHHSUSA-N 1 2 297.399 0.137 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208129614 803494210 /nfs/dbraw/zinc/49/42/10/803494210.db2.gz YQMNDZWGPCBLGE-LALPHHSUSA-N 1 2 297.399 0.137 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001276782838 803951435 /nfs/dbraw/zinc/95/14/35/803951435.db2.gz LFVRYFWKBHKDJJ-LLVKDONJSA-N 1 2 296.396 0.853 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001276782838 803951441 /nfs/dbraw/zinc/95/14/41/803951441.db2.gz LFVRYFWKBHKDJJ-LLVKDONJSA-N 1 2 296.396 0.853 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039148 814982874 /nfs/dbraw/zinc/98/28/74/814982874.db2.gz FSXSLCUDIVBOKN-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039148 814982877 /nfs/dbraw/zinc/98/28/77/814982877.db2.gz FSXSLCUDIVBOKN-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212055337 814986093 /nfs/dbraw/zinc/98/60/93/814986093.db2.gz HPPOJNOSLRMYRS-RBSFLKMASA-N 1 2 296.411 0.888 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212055337 814986097 /nfs/dbraw/zinc/98/60/97/814986097.db2.gz HPPOJNOSLRMYRS-RBSFLKMASA-N 1 2 296.411 0.888 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1O ZINC001219312708 804266606 /nfs/dbraw/zinc/26/66/06/804266606.db2.gz NLAFMGXFFIDUIJ-MCIONIFRSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1O ZINC001219312708 804266614 /nfs/dbraw/zinc/26/66/14/804266614.db2.gz NLAFMGXFFIDUIJ-MCIONIFRSA-N 1 2 280.368 0.152 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001276843446 804937446 /nfs/dbraw/zinc/93/74/46/804937446.db2.gz XSYPGZPQWQVHJR-WOPDTQHZSA-N 1 2 286.322 0.728 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001276843446 804937449 /nfs/dbraw/zinc/93/74/49/804937449.db2.gz XSYPGZPQWQVHJR-WOPDTQHZSA-N 1 2 286.322 0.728 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC1CCN(CC#N)CC1 ZINC001228408143 805444179 /nfs/dbraw/zinc/44/41/79/805444179.db2.gz PIANFJTZCFGPFX-UHFFFAOYSA-N 1 2 275.356 0.457 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228654309 805463973 /nfs/dbraw/zinc/46/39/73/805463973.db2.gz JDBFQWVNEAQKAG-ZTEPNEHBSA-N 1 2 278.268 0.376 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228654309 805463975 /nfs/dbraw/zinc/46/39/75/805463975.db2.gz JDBFQWVNEAQKAG-ZTEPNEHBSA-N 1 2 278.268 0.376 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229891132 805564444 /nfs/dbraw/zinc/56/44/44/805564444.db2.gz GCSHYOZSKPQPOP-UBYSCORNSA-N 1 2 292.310 0.916 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229891132 805564451 /nfs/dbraw/zinc/56/44/51/805564451.db2.gz GCSHYOZSKPQPOP-UBYSCORNSA-N 1 2 292.310 0.916 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@@H](C#N)c2ccccc2)C[NH2+]1 ZINC001246075335 807142593 /nfs/dbraw/zinc/14/25/93/807142593.db2.gz SSRYHWNLLLHUIM-AGIUHOORSA-N 1 2 259.309 0.744 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(Cl)cnn2C)C1 ZINC001042730663 815099292 /nfs/dbraw/zinc/09/92/92/815099292.db2.gz NEOUHHVGLAYRRG-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](O)C1 ZINC001083468339 815114794 /nfs/dbraw/zinc/11/47/94/815114794.db2.gz SOVIBGMPZVAHRM-XGUBFFRZSA-N 1 2 294.395 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](O)C1 ZINC001083468339 815114797 /nfs/dbraw/zinc/11/47/97/815114797.db2.gz SOVIBGMPZVAHRM-XGUBFFRZSA-N 1 2 294.395 0.232 20 30 CCEDLO C=CCCNC(=S)N(C)CC[NH+]1CCOCC1 ZINC001247594584 807467922 /nfs/dbraw/zinc/46/79/22/807467922.db2.gz BAXPDHIZNFVOGB-UHFFFAOYSA-N 1 2 257.403 0.701 20 30 CCEDLO C=CCCNC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC001247679273 807477690 /nfs/dbraw/zinc/47/76/90/807477690.db2.gz GIJUCNBYJCIIEY-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCCNC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC001247679273 807477694 /nfs/dbraw/zinc/47/76/94/807477694.db2.gz GIJUCNBYJCIIEY-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC001278494639 807497945 /nfs/dbraw/zinc/49/79/45/807497945.db2.gz QFBAJSZMXILZNI-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC001278494639 807497946 /nfs/dbraw/zinc/49/79/46/807497946.db2.gz QFBAJSZMXILZNI-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(N)nc2C(F)(F)F)CC1 ZINC001249395153 807554951 /nfs/dbraw/zinc/55/49/51/807554951.db2.gz UWFLKCJPTIEVEI-UHFFFAOYSA-N 1 2 299.300 0.828 20 30 CCEDLO CCCN(CCC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC001251014392 807641105 /nfs/dbraw/zinc/64/11/05/807641105.db2.gz BXEVAWMDYRUZBT-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO COc1ccc(C#N)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251028466 807647630 /nfs/dbraw/zinc/64/76/30/807647630.db2.gz GDTDCJPHSQDRMB-ZDUSSCGKSA-N 1 2 291.351 0.672 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251046114 807656598 /nfs/dbraw/zinc/65/65/98/807656598.db2.gz LFNVPDHGWMMXHW-UONOGXRCSA-N 1 2 269.389 0.597 20 30 CCEDLO C=C1CN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001251640186 807692156 /nfs/dbraw/zinc/69/21/56/807692156.db2.gz NEOLOVXDPXUNSY-NWDGAFQWSA-N 1 2 252.362 0.202 20 30 CCEDLO C=C1CN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001251640186 807692160 /nfs/dbraw/zinc/69/21/60/807692160.db2.gz NEOLOVXDPXUNSY-NWDGAFQWSA-N 1 2 252.362 0.202 20 30 CCEDLO C#CCOC[C@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001251823981 807711369 /nfs/dbraw/zinc/71/13/69/807711369.db2.gz JQIXOLAUZLLCFG-CQSZACIVSA-N 1 2 291.351 0.341 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H]1C ZINC001088765558 815146071 /nfs/dbraw/zinc/14/60/71/815146071.db2.gz IFOOYAKMXOOOKH-SUNKGSAMSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H]1C ZINC001088765558 815146072 /nfs/dbraw/zinc/14/60/72/815146072.db2.gz IFOOYAKMXOOOKH-SUNKGSAMSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001038488714 815149263 /nfs/dbraw/zinc/14/92/63/815149263.db2.gz QTXRTKLOTLPXQG-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001038488714 815149267 /nfs/dbraw/zinc/14/92/67/815149267.db2.gz QTXRTKLOTLPXQG-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252470844 807881271 /nfs/dbraw/zinc/88/12/71/807881271.db2.gz REDUAIWDYBHTIU-XWLWVQCSSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252470844 807881279 /nfs/dbraw/zinc/88/12/79/807881279.db2.gz REDUAIWDYBHTIU-XWLWVQCSSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CC(=O)N(CC)C[C@H]1C ZINC001252473177 807884980 /nfs/dbraw/zinc/88/49/80/807884980.db2.gz IAVVIRDYJYUYLF-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CC(=O)N(CC)C[C@H]1C ZINC001252473177 807884971 /nfs/dbraw/zinc/88/49/71/807884971.db2.gz IAVVIRDYJYUYLF-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC001088786802 815156618 /nfs/dbraw/zinc/15/66/18/815156618.db2.gz AHYFOAWXXPYDFI-RISCZKNCSA-N 1 2 285.347 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC001088786802 815156623 /nfs/dbraw/zinc/15/66/23/815156623.db2.gz AHYFOAWXXPYDFI-RISCZKNCSA-N 1 2 285.347 0.346 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252551927 807907691 /nfs/dbraw/zinc/90/76/91/807907691.db2.gz DZFSAIHZSDXNQK-DGCLKSJQSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252551927 807907696 /nfs/dbraw/zinc/90/76/96/807907696.db2.gz DZFSAIHZSDXNQK-DGCLKSJQSA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)C=C ZINC001253576244 808082670 /nfs/dbraw/zinc/08/26/70/808082670.db2.gz LAVHTRCHEUMEAR-AAEUAGOBSA-N 1 2 278.356 0.464 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)C=C ZINC001253576244 808082675 /nfs/dbraw/zinc/08/26/75/808082675.db2.gz LAVHTRCHEUMEAR-AAEUAGOBSA-N 1 2 278.356 0.464 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001253578067 808085126 /nfs/dbraw/zinc/08/51/26/808085126.db2.gz UWTQSEDMRGOXNJ-RYUDHWBXSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001253578067 808085131 /nfs/dbraw/zinc/08/51/31/808085131.db2.gz UWTQSEDMRGOXNJ-RYUDHWBXSA-N 1 2 280.372 0.781 20 30 CCEDLO C=CCN1CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253680970 808112886 /nfs/dbraw/zinc/11/28/86/808112886.db2.gz HMPCMZXLKZSLON-LBPRGKRZSA-N 1 2 270.373 0.493 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(NC(=N)c2nccs2)CC1 ZINC001254392604 808230023 /nfs/dbraw/zinc/23/00/23/808230023.db2.gz CYDFZQXYZQHZOZ-UHFFFAOYSA-N 1 2 296.396 0.876 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N[C@H](C#N)C(=O)OCC)CC1 ZINC001254395949 808232369 /nfs/dbraw/zinc/23/23/69/808232369.db2.gz FWDUVDOIJXYXFB-GFCCVEGCSA-N 1 2 297.355 0.059 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[C@H](C#N)C2)cn1 ZINC001254655141 808270639 /nfs/dbraw/zinc/27/06/39/808270639.db2.gz YZUJYGZXLGFQMM-ZMLRMANQSA-N 1 2 262.313 0.791 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255613524 808413589 /nfs/dbraw/zinc/41/35/89/808413589.db2.gz AQVHBVGKPSWNMD-JTQLQIEISA-N 1 2 275.370 0.733 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCCC#N)C2 ZINC001261515014 809005141 /nfs/dbraw/zinc/00/51/41/809005141.db2.gz UOCSUVAVALNWMC-LBPRGKRZSA-N 1 2 290.367 0.851 20 30 CCEDLO N#CC1(NC(=O)Cc2[nH]cc[nH+]2)CCSCC1 ZINC001261735411 809068024 /nfs/dbraw/zinc/06/80/24/809068024.db2.gz FTZMMEICYVQHKY-UHFFFAOYSA-N 1 2 250.327 0.858 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001076207733 815260021 /nfs/dbraw/zinc/26/00/21/815260021.db2.gz MTRQHLKIOIRUOD-WCQYABFASA-N 1 2 288.351 0.295 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001076207733 815260023 /nfs/dbraw/zinc/26/00/23/815260023.db2.gz MTRQHLKIOIRUOD-WCQYABFASA-N 1 2 288.351 0.295 20 30 CCEDLO C[N@H+](CCCSCC#N)Cc1nnc2c(=O)[nH]ccn12 ZINC001262021584 809159920 /nfs/dbraw/zinc/15/99/20/809159920.db2.gz LLNNUYMJEPALEL-UHFFFAOYSA-N 1 2 292.368 0.496 20 30 CCEDLO C[N@@H+](CCCSCC#N)Cc1nnc2c(=O)[nH]ccn12 ZINC001262021584 809159923 /nfs/dbraw/zinc/15/99/23/809159923.db2.gz LLNNUYMJEPALEL-UHFFFAOYSA-N 1 2 292.368 0.496 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)[nH]n3)n2C)CC1 ZINC001262851184 809416429 /nfs/dbraw/zinc/41/64/29/809416429.db2.gz YNJQGDCFXGPSKN-UHFFFAOYSA-N 1 2 285.355 0.269 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](NCC#N)C1 ZINC001264472429 809658983 /nfs/dbraw/zinc/65/89/83/809658983.db2.gz RFGHDUUSLGHGAH-QWHCGFSZSA-N 1 2 289.383 0.751 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265212347 809724867 /nfs/dbraw/zinc/72/48/67/809724867.db2.gz AEPRZMVTYYKSJQ-LLVKDONJSA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265212347 809724871 /nfs/dbraw/zinc/72/48/71/809724871.db2.gz AEPRZMVTYYKSJQ-LLVKDONJSA-N 1 2 265.357 0.102 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CCCOC2)CC1 ZINC001265257332 809733049 /nfs/dbraw/zinc/73/30/49/809733049.db2.gz BFRUSRITGDIRNU-HNNXBMFYSA-N 1 2 293.411 0.170 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)C2CC2)CC1 ZINC001265257285 809733794 /nfs/dbraw/zinc/73/37/94/809733794.db2.gz AJWSKJLAPPHKKH-CQSZACIVSA-N 1 2 277.412 0.790 20 30 CCEDLO C[C@H](CC(=O)N[C@H]1CCN(CC#N)C1)n1cc[nH+]c1 ZINC001265305883 809753812 /nfs/dbraw/zinc/75/38/12/809753812.db2.gz GBJRPQLDLITFNB-NEPJUHHUSA-N 1 2 261.329 0.548 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1CNCC#N ZINC001265677040 809824083 /nfs/dbraw/zinc/82/40/83/809824083.db2.gz BZJIFRWOVNKHLK-ZDUSSCGKSA-N 1 2 289.383 0.847 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001265834681 809868167 /nfs/dbraw/zinc/86/81/67/809868167.db2.gz WZPWJKZFKQTBAL-CQSZACIVSA-N 1 2 296.371 0.643 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001265834681 809868175 /nfs/dbraw/zinc/86/81/75/809868175.db2.gz WZPWJKZFKQTBAL-CQSZACIVSA-N 1 2 296.371 0.643 20 30 CCEDLO CCN(CC#N)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266049069 809926243 /nfs/dbraw/zinc/92/62/43/809926243.db2.gz GVNGBVYUDXSUBQ-UHFFFAOYSA-N 1 2 263.345 0.694 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076652138 815329191 /nfs/dbraw/zinc/32/91/91/815329191.db2.gz FBFOOAZDJGYEPD-HUUCEWRRSA-N 1 2 272.348 0.609 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076652138 815329195 /nfs/dbraw/zinc/32/91/95/815329195.db2.gz FBFOOAZDJGYEPD-HUUCEWRRSA-N 1 2 272.348 0.609 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cnoc2CC)C1 ZINC001279519451 809985925 /nfs/dbraw/zinc/98/59/25/809985925.db2.gz RPPUEJMGBHTFLD-HNNXBMFYSA-N 1 2 291.351 0.427 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cnoc2CC)C1 ZINC001279519451 809985929 /nfs/dbraw/zinc/98/59/29/809985929.db2.gz RPPUEJMGBHTFLD-HNNXBMFYSA-N 1 2 291.351 0.427 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001267276263 811080667 /nfs/dbraw/zinc/08/06/67/811080667.db2.gz OISJXUBYRLSDPT-LLVKDONJSA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001267276263 811080676 /nfs/dbraw/zinc/08/06/76/811080676.db2.gz OISJXUBYRLSDPT-LLVKDONJSA-N 1 2 265.357 0.409 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001076992353 815427549 /nfs/dbraw/zinc/42/75/49/815427549.db2.gz QFMRVPVIBWYBMX-BFHYXJOUSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001076992353 815427551 /nfs/dbraw/zinc/42/75/51/815427551.db2.gz QFMRVPVIBWYBMX-BFHYXJOUSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001077049558 815439210 /nfs/dbraw/zinc/43/92/10/815439210.db2.gz DXCAFHJHKOOZEX-IAGOWNOFSA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001077049558 815439213 /nfs/dbraw/zinc/43/92/13/815439213.db2.gz DXCAFHJHKOOZEX-IAGOWNOFSA-N 1 2 298.386 0.974 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602049 811528074 /nfs/dbraw/zinc/52/80/74/811528074.db2.gz BEDSWAHZAVLCAI-LBPRGKRZSA-N 1 2 298.350 0.531 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CO1 ZINC001267609214 811559853 /nfs/dbraw/zinc/55/98/53/811559853.db2.gz SQFKZGKIURKRPP-KGLIPLIRSA-N 1 2 294.399 0.011 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267661229 811628272 /nfs/dbraw/zinc/62/82/72/811628272.db2.gz CCDTYUQKGVKTLH-CQSZACIVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC001267670901 811634852 /nfs/dbraw/zinc/63/48/52/811634852.db2.gz XDIVGUBHEAWQII-UHFFFAOYSA-N 1 2 293.367 0.837 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001267676187 811639685 /nfs/dbraw/zinc/63/96/85/811639685.db2.gz FSKNEDWSGBOKJX-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001077339503 815481431 /nfs/dbraw/zinc/48/14/31/815481431.db2.gz LISHATFHBAUOHF-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001077339503 815481435 /nfs/dbraw/zinc/48/14/35/815481435.db2.gz LISHATFHBAUOHF-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2CC)C1 ZINC001077327924 815479824 /nfs/dbraw/zinc/47/98/24/815479824.db2.gz DFKZSJRFTWDXIW-GHMZBOCLSA-N 1 2 296.396 0.452 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2CC)C1 ZINC001077327924 815479827 /nfs/dbraw/zinc/47/98/27/815479827.db2.gz DFKZSJRFTWDXIW-GHMZBOCLSA-N 1 2 296.396 0.452 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC001267913840 811868282 /nfs/dbraw/zinc/86/82/82/811868282.db2.gz CLRZIKCMZIPJAI-GFCCVEGCSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC001267913840 811868289 /nfs/dbraw/zinc/86/82/89/811868289.db2.gz CLRZIKCMZIPJAI-GFCCVEGCSA-N 1 2 293.392 0.987 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCC3)C2)nn1 ZINC001105299076 811898994 /nfs/dbraw/zinc/89/89/94/811898994.db2.gz ASTPTYRACWLCPO-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001077355591 815484977 /nfs/dbraw/zinc/48/49/77/815484977.db2.gz ILTAQEDIWVJAHK-CHWSQXEVSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001077355591 815484981 /nfs/dbraw/zinc/48/49/81/815484981.db2.gz ILTAQEDIWVJAHK-CHWSQXEVSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001077393980 815492391 /nfs/dbraw/zinc/49/23/91/815492391.db2.gz WKQAZYCCDYIATQ-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001077393980 815492393 /nfs/dbraw/zinc/49/23/93/815492393.db2.gz WKQAZYCCDYIATQ-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001038692417 811965469 /nfs/dbraw/zinc/96/54/69/811965469.db2.gz NVPLBYLQUSYXEU-CYBMUJFWSA-N 1 2 289.383 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001038692417 811965473 /nfs/dbraw/zinc/96/54/73/811965473.db2.gz NVPLBYLQUSYXEU-CYBMUJFWSA-N 1 2 289.383 0.762 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001038123161 815504578 /nfs/dbraw/zinc/50/45/78/815504578.db2.gz NYTKMPSSGAZLJV-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001038123161 815504581 /nfs/dbraw/zinc/50/45/81/815504581.db2.gz NYTKMPSSGAZLJV-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007834 812211329 /nfs/dbraw/zinc/21/13/29/812211329.db2.gz RBFFRGRDVLAFMP-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007834 812211337 /nfs/dbraw/zinc/21/13/37/812211337.db2.gz RBFFRGRDVLAFMP-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001083319307 812234009 /nfs/dbraw/zinc/23/40/09/812234009.db2.gz KISOFPVYZUJWQI-ZJUUUORDSA-N 1 2 252.339 0.709 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001083319307 812234017 /nfs/dbraw/zinc/23/40/17/812234017.db2.gz KISOFPVYZUJWQI-ZJUUUORDSA-N 1 2 252.339 0.709 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001268307826 812470758 /nfs/dbraw/zinc/47/07/58/812470758.db2.gz WEGICDLUNLADIC-LLVKDONJSA-N 1 2 284.385 0.461 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001083328724 812639017 /nfs/dbraw/zinc/63/90/17/812639017.db2.gz BXARWRTYEZEEOU-OLZOCXBDSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001083328724 812639023 /nfs/dbraw/zinc/63/90/23/812639023.db2.gz BXARWRTYEZEEOU-OLZOCXBDSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001083613578 815543572 /nfs/dbraw/zinc/54/35/72/815543572.db2.gz CMHFDTKVFZTXBK-OLZOCXBDSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001083613578 815543576 /nfs/dbraw/zinc/54/35/76/815543576.db2.gz CMHFDTKVFZTXBK-OLZOCXBDSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)[C@@H](O)C1 ZINC001083614909 815546036 /nfs/dbraw/zinc/54/60/36/815546036.db2.gz VEKDDOHZBCBOAJ-CABCVRRESA-N 1 2 289.379 0.533 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)[C@@H](O)C1 ZINC001083614909 815546038 /nfs/dbraw/zinc/54/60/38/815546038.db2.gz VEKDDOHZBCBOAJ-CABCVRRESA-N 1 2 289.379 0.533 20 30 CCEDLO N#CCc1ncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cn1 ZINC001168371292 815547039 /nfs/dbraw/zinc/54/70/39/815547039.db2.gz CFJGGBCGAZCYRV-LLVKDONJSA-N 1 2 273.340 0.818 20 30 CCEDLO N#CCc1ncc(N[C@@H]2CCC[N@H+](C3COC3)C2)cn1 ZINC001168371292 815547045 /nfs/dbraw/zinc/54/70/45/815547045.db2.gz CFJGGBCGAZCYRV-LLVKDONJSA-N 1 2 273.340 0.818 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@@H](O)C1 ZINC001083620613 815558417 /nfs/dbraw/zinc/55/84/17/815558417.db2.gz VIMTVTNXJDQTEN-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@@H](O)C1 ZINC001083620613 815558422 /nfs/dbraw/zinc/55/84/22/815558422.db2.gz VIMTVTNXJDQTEN-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001127024108 815560163 /nfs/dbraw/zinc/56/01/63/815560163.db2.gz XSVDQZHHMMKPRP-JTQLQIEISA-N 1 2 280.328 0.185 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001083390123 812930970 /nfs/dbraw/zinc/93/09/70/812930970.db2.gz CWESXCUBROMMJT-MNOVXSKESA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001083390123 812930975 /nfs/dbraw/zinc/93/09/75/812930975.db2.gz CWESXCUBROMMJT-MNOVXSKESA-N 1 2 264.369 0.463 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001127026963 815563715 /nfs/dbraw/zinc/56/37/15/815563715.db2.gz CELPXROVOYASDX-UHFFFAOYSA-N 1 2 291.351 0.798 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001127027786 815565851 /nfs/dbraw/zinc/56/58/51/815565851.db2.gz ZLQILMNSXZWKHM-JTQLQIEISA-N 1 2 280.328 0.185 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001268688395 813010455 /nfs/dbraw/zinc/01/04/55/813010455.db2.gz GDDUMXGDEFXRGG-UWVGGRQHSA-N 1 2 280.328 0.011 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001268704361 813022791 /nfs/dbraw/zinc/02/27/91/813022791.db2.gz ZMVRKPUZNWTSQW-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001269038814 813188330 /nfs/dbraw/zinc/18/83/30/813188330.db2.gz IZWGBDDHJFAWFZ-OCCSQVGLSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001269038814 813188336 /nfs/dbraw/zinc/18/83/36/813188336.db2.gz IZWGBDDHJFAWFZ-OCCSQVGLSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001269209396 813268200 /nfs/dbraw/zinc/26/82/00/813268200.db2.gz AFOCJPRPVKPQDS-GFCCVEGCSA-N 1 2 278.356 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001269227533 813277665 /nfs/dbraw/zinc/27/76/65/813277665.db2.gz NGZJYUDFNCOMCN-NSHDSACASA-N 1 2 250.342 0.768 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001269227533 813277667 /nfs/dbraw/zinc/27/76/67/813277667.db2.gz NGZJYUDFNCOMCN-NSHDSACASA-N 1 2 250.342 0.768 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001269230336 813279045 /nfs/dbraw/zinc/27/90/45/813279045.db2.gz ZVOFJMDDCBOIJB-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001269230336 813279050 /nfs/dbraw/zinc/27/90/50/813279050.db2.gz ZVOFJMDDCBOIJB-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001269241967 813286165 /nfs/dbraw/zinc/28/61/65/813286165.db2.gz ZDJBXJWIKJSGRA-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001269241967 813286170 /nfs/dbraw/zinc/28/61/70/813286170.db2.gz ZDJBXJWIKJSGRA-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001269261474 813294918 /nfs/dbraw/zinc/29/49/18/813294918.db2.gz SHBCGRYNZPONIP-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001269261474 813294924 /nfs/dbraw/zinc/29/49/24/813294924.db2.gz SHBCGRYNZPONIP-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001269290031 813310023 /nfs/dbraw/zinc/31/00/23/813310023.db2.gz YFOWSHPUWLTDRL-CHWSQXEVSA-N 1 2 286.335 0.108 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(C)no1 ZINC001269377381 813347529 /nfs/dbraw/zinc/34/75/29/813347529.db2.gz FCYJZQFPBXRAJW-WCBMZHEXSA-N 1 2 265.317 0.522 20 30 CCEDLO C#CCOCCC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001269411807 813362890 /nfs/dbraw/zinc/36/28/90/813362890.db2.gz UHHVPOPNVDPELN-UHFFFAOYSA-N 1 2 292.339 0.156 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(NCC#N)CC1 ZINC001269506611 813396353 /nfs/dbraw/zinc/39/63/53/813396353.db2.gz YNRIGVYHAAFWHH-SNVBAGLBSA-N 1 2 261.329 0.350 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(NCC#N)CC1 ZINC001269506611 813396362 /nfs/dbraw/zinc/39/63/62/813396362.db2.gz YNRIGVYHAAFWHH-SNVBAGLBSA-N 1 2 261.329 0.350 20 30 CCEDLO C=CCN1CC[C@]2(CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001269568996 813424564 /nfs/dbraw/zinc/42/45/64/813424564.db2.gz JBHOOJRREUTEFW-OAHLLOKOSA-N 1 2 288.351 0.732 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875354 813613213 /nfs/dbraw/zinc/61/32/13/813613213.db2.gz BFYIIKXQYCBIGT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875354 813613221 /nfs/dbraw/zinc/61/32/21/813613221.db2.gz BFYIIKXQYCBIGT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875354 813613230 /nfs/dbraw/zinc/61/32/30/813613230.db2.gz BFYIIKXQYCBIGT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875354 813613234 /nfs/dbraw/zinc/61/32/34/813613234.db2.gz BFYIIKXQYCBIGT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038417171 813697282 /nfs/dbraw/zinc/69/72/82/813697282.db2.gz HUKCJHWEEAUNRR-AWEZNQCLSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038417171 813697285 /nfs/dbraw/zinc/69/72/85/813697285.db2.gz HUKCJHWEEAUNRR-AWEZNQCLSA-N 1 2 285.347 0.613 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001270556932 813812310 /nfs/dbraw/zinc/81/23/10/813812310.db2.gz IHIWCVVZNPOLCV-CYBMUJFWSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001270556932 813812318 /nfs/dbraw/zinc/81/23/18/813812318.db2.gz IHIWCVVZNPOLCV-CYBMUJFWSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC001270620536 813842944 /nfs/dbraw/zinc/84/29/44/813842944.db2.gz NXIOIIHGRCPRMO-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC001270620536 813842953 /nfs/dbraw/zinc/84/29/53/813842953.db2.gz NXIOIIHGRCPRMO-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038431130 813939924 /nfs/dbraw/zinc/93/99/24/813939924.db2.gz GXXDDALRTVMVLW-CYBMUJFWSA-N 1 2 278.331 0.680 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038431130 813939928 /nfs/dbraw/zinc/93/99/28/813939928.db2.gz GXXDDALRTVMVLW-CYBMUJFWSA-N 1 2 278.331 0.680 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001038433076 813980206 /nfs/dbraw/zinc/98/02/06/813980206.db2.gz ACIQCLAVFDJING-SNVBAGLBSA-N 1 2 292.364 0.539 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001038433076 813980211 /nfs/dbraw/zinc/98/02/11/813980211.db2.gz ACIQCLAVFDJING-SNVBAGLBSA-N 1 2 292.364 0.539 20 30 CCEDLO C=CCOCC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001270912884 814083391 /nfs/dbraw/zinc/08/33/91/814083391.db2.gz DDVDLVPQXKCHFW-SNVBAGLBSA-N 1 2 282.344 0.517 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H]1C ZINC001088519372 814848660 /nfs/dbraw/zinc/84/86/60/814848660.db2.gz SGNLEEKMLBGQLV-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H]1C ZINC001088519372 814848665 /nfs/dbraw/zinc/84/86/65/814848665.db2.gz SGNLEEKMLBGQLV-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO CC#CCN1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030347572 815988304 /nfs/dbraw/zinc/98/83/04/815988304.db2.gz MRPNZYRVCOCBOJ-UHFFFAOYSA-N 1 2 286.379 0.586 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001030522649 816085375 /nfs/dbraw/zinc/08/53/75/816085375.db2.gz ZVJZURSNYQJCKW-UHFFFAOYSA-N 1 2 299.374 0.953 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2nc(C)cc2C)C1 ZINC001030642992 816178148 /nfs/dbraw/zinc/17/81/48/816178148.db2.gz SDWHAYMTGABEFQ-UHFFFAOYSA-N 1 2 260.341 0.324 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ncc3cccnc32)C1 ZINC001030699447 816232089 /nfs/dbraw/zinc/23/20/89/816232089.db2.gz PMOUCEBOVFLITB-UHFFFAOYSA-N 1 2 285.351 0.808 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OCC)C1 ZINC001030699139 816233269 /nfs/dbraw/zinc/23/32/69/816233269.db2.gz LBSGPFCGEJRKIH-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO CC(C)(F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001045996350 816262823 /nfs/dbraw/zinc/26/28/23/816262823.db2.gz FNAULUHZLFZVTJ-GFCCVEGCSA-N 1 2 282.363 0.477 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3cccnc23)C1 ZINC001030775652 816281056 /nfs/dbraw/zinc/28/10/56/816281056.db2.gz VKJFTEVGVMASSW-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839842 816333083 /nfs/dbraw/zinc/33/30/83/816333083.db2.gz SKOIFIDJMXWCLZ-OAHLLOKOSA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839842 816333090 /nfs/dbraw/zinc/33/30/90/816333090.db2.gz SKOIFIDJMXWCLZ-OAHLLOKOSA-N 1 2 295.427 0.862 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001030847262 816341913 /nfs/dbraw/zinc/34/19/13/816341913.db2.gz POCZJEKTLSNQQW-LBPRGKRZSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001272346545 816346901 /nfs/dbraw/zinc/34/69/01/816346901.db2.gz VDMDDMAMACEGCS-BETUJISGSA-N 1 2 291.395 0.409 20 30 CCEDLO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001272346545 816346908 /nfs/dbraw/zinc/34/69/08/816346908.db2.gz VDMDDMAMACEGCS-BETUJISGSA-N 1 2 291.395 0.409 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C)O2)C1 ZINC001030899119 816407069 /nfs/dbraw/zinc/40/70/69/816407069.db2.gz ZRBSBHHYHDZJPS-AAEUAGOBSA-N 1 2 250.342 0.768 20 30 CCEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992335670 816413020 /nfs/dbraw/zinc/41/30/20/816413020.db2.gz WXLRPCYCPGTMLO-BXUZGUMPSA-N 1 2 273.340 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992335670 816413025 /nfs/dbraw/zinc/41/30/25/816413025.db2.gz WXLRPCYCPGTMLO-BXUZGUMPSA-N 1 2 273.340 0.555 20 30 CCEDLO C#CCN1CC2(C[NH+](CCc3ccccc3)C2)OCC1=O ZINC001272446356 816437295 /nfs/dbraw/zinc/43/72/95/816437295.db2.gz PULXXSBKTCCGIW-UHFFFAOYSA-N 1 2 284.359 0.776 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001030985652 816535384 /nfs/dbraw/zinc/53/53/84/816535384.db2.gz JQGUUGRPIIZCKR-UPJWGTAASA-N 1 2 250.342 0.930 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001031000195 816545086 /nfs/dbraw/zinc/54/50/86/816545086.db2.gz UHKIYPITLXWACU-UHFFFAOYSA-N 1 2 258.325 0.724 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001234247034 816571221 /nfs/dbraw/zinc/57/12/21/816571221.db2.gz VIYVEYDWXZELHA-GFCCVEGCSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001234247034 816571227 /nfs/dbraw/zinc/57/12/27/816571227.db2.gz VIYVEYDWXZELHA-GFCCVEGCSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC)n2)C1 ZINC001031189522 816770315 /nfs/dbraw/zinc/77/03/15/816770315.db2.gz DWIPGFPDBWNQDG-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031231644 816861955 /nfs/dbraw/zinc/86/19/55/816861955.db2.gz GAOCPSSMNFNIJH-UHFFFAOYSA-N 1 2 291.351 0.443 20 30 CCEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(F)c1 ZINC001235650511 816896988 /nfs/dbraw/zinc/89/69/88/816896988.db2.gz FVFDGLSMANDEMJ-ZANVPECISA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(F)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(F)c1 ZINC001235650511 816896993 /nfs/dbraw/zinc/89/69/93/816896993.db2.gz FVFDGLSMANDEMJ-ZANVPECISA-N 1 2 268.263 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001031272322 816918076 /nfs/dbraw/zinc/91/80/76/816918076.db2.gz PVSCYHZGSYTINZ-UHFFFAOYSA-N 1 2 288.395 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@@H](O)C1 ZINC001083742816 816957438 /nfs/dbraw/zinc/95/74/38/816957438.db2.gz JMNANNSHZSNDMU-NEPJUHHUSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@@H](O)C1 ZINC001083742816 816957447 /nfs/dbraw/zinc/95/74/47/816957447.db2.gz JMNANNSHZSNDMU-NEPJUHHUSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ncccc3c2)[C@@H](O)C1 ZINC001083746666 816967644 /nfs/dbraw/zinc/96/76/44/816967644.db2.gz QHFVRUFARYRITF-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ncccc3c2)[C@@H](O)C1 ZINC001083746666 816967650 /nfs/dbraw/zinc/96/76/50/816967650.db2.gz QHFVRUFARYRITF-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn3cccnc23)C1 ZINC001031404764 817035254 /nfs/dbraw/zinc/03/52/54/817035254.db2.gz DIGFEAUIJDIUFC-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001031409487 817038555 /nfs/dbraw/zinc/03/85/55/817038555.db2.gz CTYJMCYHSCOKLY-UHFFFAOYSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001031438436 817054868 /nfs/dbraw/zinc/05/48/68/817054868.db2.gz CHIBPAYPHNGRTK-UHFFFAOYSA-N 1 2 293.392 0.350 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047269874 817295341 /nfs/dbraw/zinc/29/53/41/817295341.db2.gz LQSXBTWKLXVDCO-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047269874 817295348 /nfs/dbraw/zinc/29/53/48/817295348.db2.gz LQSXBTWKLXVDCO-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001031728771 817295810 /nfs/dbraw/zinc/29/58/10/817295810.db2.gz ZRICRHDEEATWPN-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124482884 817484939 /nfs/dbraw/zinc/48/49/39/817484939.db2.gz JGQYKSGQMMEUOV-GFCCVEGCSA-N 1 2 278.356 0.664 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC1 ZINC001031949932 817488470 /nfs/dbraw/zinc/48/84/70/817488470.db2.gz LJYCLCCXIVHGKV-LLVKDONJSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001032196751 817694172 /nfs/dbraw/zinc/69/41/72/817694172.db2.gz BGZWFHGGFAOQOH-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032261216 817762661 /nfs/dbraw/zinc/76/26/61/817762661.db2.gz DSWRXULXXALGDO-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032261216 817762667 /nfs/dbraw/zinc/76/26/67/817762667.db2.gz DSWRXULXXALGDO-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC001032264685 817765178 /nfs/dbraw/zinc/76/51/78/817765178.db2.gz PCWZCXKRYIEQQL-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC001032264685 817765185 /nfs/dbraw/zinc/76/51/85/817765185.db2.gz PCWZCXKRYIEQQL-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO N#Cc1cnc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001107239989 817817644 /nfs/dbraw/zinc/81/76/44/817817644.db2.gz CVWJQQKTDNBRQN-UPHRSURJSA-N 1 2 297.322 0.329 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107345696 817841368 /nfs/dbraw/zinc/84/13/68/817841368.db2.gz FJUSUQFXVRNUCE-FJOGCWAESA-N 1 2 288.351 0.908 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)nc1 ZINC001032314415 817845013 /nfs/dbraw/zinc/84/50/13/817845013.db2.gz XOLVFUQKFPYVPD-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)nc1 ZINC001032314415 817845021 /nfs/dbraw/zinc/84/50/21/817845021.db2.gz XOLVFUQKFPYVPD-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001077588471 817853480 /nfs/dbraw/zinc/85/34/80/817853480.db2.gz GNDXLRGECZLDOS-HUUCEWRRSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001077588471 817853487 /nfs/dbraw/zinc/85/34/87/817853487.db2.gz GNDXLRGECZLDOS-HUUCEWRRSA-N 1 2 295.342 0.643 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 ZINC001032322368 817862436 /nfs/dbraw/zinc/86/24/36/817862436.db2.gz OVAWLHAVEKBMGL-KBPBESRZSA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 ZINC001032322368 817862445 /nfs/dbraw/zinc/86/24/45/817862445.db2.gz OVAWLHAVEKBMGL-KBPBESRZSA-N 1 2 272.352 0.825 20 30 CCEDLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032324177 817870820 /nfs/dbraw/zinc/87/08/20/817870820.db2.gz ZEQJZNQDAGZMMB-GJZGRUSLSA-N 1 2 297.358 0.199 20 30 CCEDLO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032324177 817870827 /nfs/dbraw/zinc/87/08/27/817870827.db2.gz ZEQJZNQDAGZMMB-GJZGRUSLSA-N 1 2 297.358 0.199 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccon1 ZINC001032324873 817870997 /nfs/dbraw/zinc/87/09/97/817870997.db2.gz YCZPODURDBOTKY-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccon1 ZINC001032324873 817871010 /nfs/dbraw/zinc/87/10/10/817871010.db2.gz YCZPODURDBOTKY-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]c2)C1 ZINC001107766663 817993367 /nfs/dbraw/zinc/99/33/67/817993367.db2.gz XSXPAOPVMOQUMG-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]c2)C1 ZINC001107766663 817993371 /nfs/dbraw/zinc/99/33/71/817993371.db2.gz XSXPAOPVMOQUMG-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107791979 818010839 /nfs/dbraw/zinc/01/08/39/818010839.db2.gz FEDBIYJXYGCDRE-TZMCWYRMSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107791979 818010848 /nfs/dbraw/zinc/01/08/48/818010848.db2.gz FEDBIYJXYGCDRE-TZMCWYRMSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107807166 818021229 /nfs/dbraw/zinc/02/12/29/818021229.db2.gz UTZUSYIAWQHCDQ-UKRRQHHQSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107807166 818021239 /nfs/dbraw/zinc/02/12/39/818021239.db2.gz UTZUSYIAWQHCDQ-UKRRQHHQSA-N 1 2 282.384 0.806 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761301 818050796 /nfs/dbraw/zinc/05/07/96/818050796.db2.gz KBSFMEUDROYJSY-QWRGUYRKSA-N 1 2 273.340 0.493 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050840826 818173179 /nfs/dbraw/zinc/17/31/79/818173179.db2.gz RTBQCXHCPHRGKP-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050840826 818173186 /nfs/dbraw/zinc/17/31/86/818173186.db2.gz RTBQCXHCPHRGKP-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128327525 818188651 /nfs/dbraw/zinc/18/86/51/818188651.db2.gz QTOGTMSRXOTHJP-OAHLLOKOSA-N 1 2 292.383 0.662 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128327525 818188654 /nfs/dbraw/zinc/18/86/54/818188654.db2.gz QTOGTMSRXOTHJP-OAHLLOKOSA-N 1 2 292.383 0.662 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090014488 818272929 /nfs/dbraw/zinc/27/29/29/818272929.db2.gz RXWMTPDDJUUWNZ-QWHCGFSZSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090014488 818272938 /nfs/dbraw/zinc/27/29/38/818272938.db2.gz RXWMTPDDJUUWNZ-QWHCGFSZSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032893881 818343654 /nfs/dbraw/zinc/34/36/54/818343654.db2.gz RHAJQWZFDNXZIC-GFCCVEGCSA-N 1 2 299.802 0.894 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032893881 818343661 /nfs/dbraw/zinc/34/36/61/818343661.db2.gz RHAJQWZFDNXZIC-GFCCVEGCSA-N 1 2 299.802 0.894 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032927530 818361613 /nfs/dbraw/zinc/36/16/13/818361613.db2.gz GKIBEHSMNHWKJY-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032927530 818361615 /nfs/dbraw/zinc/36/16/15/818361615.db2.gz GKIBEHSMNHWKJY-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001032956993 818383712 /nfs/dbraw/zinc/38/37/12/818383712.db2.gz MGZKJQTVSSJXRS-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001032956993 818383715 /nfs/dbraw/zinc/38/37/15/818383715.db2.gz MGZKJQTVSSJXRS-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033026310 818439084 /nfs/dbraw/zinc/43/90/84/818439084.db2.gz VKUZAUTWNXWHFV-NSHDSACASA-N 1 2 259.309 0.567 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033026310 818439088 /nfs/dbraw/zinc/43/90/88/818439088.db2.gz VKUZAUTWNXWHFV-NSHDSACASA-N 1 2 259.309 0.567 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033144728 818569183 /nfs/dbraw/zinc/56/91/83/818569183.db2.gz AYVINCGPGMUOPT-LBPRGKRZSA-N 1 2 290.367 0.306 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033144728 818569189 /nfs/dbraw/zinc/56/91/89/818569189.db2.gz AYVINCGPGMUOPT-LBPRGKRZSA-N 1 2 290.367 0.306 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090121730 818662656 /nfs/dbraw/zinc/66/26/56/818662656.db2.gz AEVXHXVUVJIUCG-KOLCDFICSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090121730 818662664 /nfs/dbraw/zinc/66/26/64/818662664.db2.gz AEVXHXVUVJIUCG-KOLCDFICSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001033290864 818693381 /nfs/dbraw/zinc/69/33/81/818693381.db2.gz ZPIVLIDOFQXSSN-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001033290864 818693386 /nfs/dbraw/zinc/69/33/86/818693386.db2.gz ZPIVLIDOFQXSSN-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128774759 818981616 /nfs/dbraw/zinc/98/16/16/818981616.db2.gz DVRJMCMNMANIOM-PVBRJXJSSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128774759 818981621 /nfs/dbraw/zinc/98/16/21/818981621.db2.gz DVRJMCMNMANIOM-PVBRJXJSSA-N 1 2 299.378 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090250643 819312354 /nfs/dbraw/zinc/31/23/54/819312354.db2.gz DBNSLBUVQYFGRG-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090250643 819312362 /nfs/dbraw/zinc/31/23/62/819312362.db2.gz DBNSLBUVQYFGRG-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090250640 819312585 /nfs/dbraw/zinc/31/25/85/819312585.db2.gz DBNSLBUVQYFGRG-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 ZINC001090250640 819312589 /nfs/dbraw/zinc/31/25/89/819312589.db2.gz DBNSLBUVQYFGRG-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108158826 819330937 /nfs/dbraw/zinc/33/09/37/819330937.db2.gz LXXSLAQZOOVAOA-UONOGXRCSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108158826 819330944 /nfs/dbraw/zinc/33/09/44/819330944.db2.gz LXXSLAQZOOVAOA-UONOGXRCSA-N 1 2 286.347 0.508 20 30 CCEDLO N#CCN[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799813 819333021 /nfs/dbraw/zinc/33/30/21/819333021.db2.gz PZVJXNVSKFETOZ-HAQNSBGRSA-N 1 2 261.329 0.424 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035263905 819429706 /nfs/dbraw/zinc/42/97/06/819429706.db2.gz BBJJZKZDLDNOJE-ZDUSSCGKSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035263905 819429708 /nfs/dbraw/zinc/42/97/08/819429708.db2.gz BBJJZKZDLDNOJE-ZDUSSCGKSA-N 1 2 261.325 0.698 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnccn2)C1 ZINC001035272065 819434741 /nfs/dbraw/zinc/43/47/41/819434741.db2.gz INTYSEDXOXYXPG-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnccn2)C1 ZINC001035272065 819434747 /nfs/dbraw/zinc/43/47/47/819434747.db2.gz INTYSEDXOXYXPG-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340503 819480032 /nfs/dbraw/zinc/48/00/32/819480032.db2.gz KSFMBWQDMVJVNB-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340503 819480038 /nfs/dbraw/zinc/48/00/38/819480038.db2.gz KSFMBWQDMVJVNB-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001035342750 819481837 /nfs/dbraw/zinc/48/18/37/819481837.db2.gz QECNRJFRMDBAMW-CQSZACIVSA-N 1 2 280.368 0.726 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001035342750 819481843 /nfs/dbraw/zinc/48/18/43/819481843.db2.gz QECNRJFRMDBAMW-CQSZACIVSA-N 1 2 280.368 0.726 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2CC)C1 ZINC001035405578 819514480 /nfs/dbraw/zinc/51/44/80/819514480.db2.gz CRORROALZKFZBW-LBPRGKRZSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2CC)C1 ZINC001035405578 819514485 /nfs/dbraw/zinc/51/44/85/819514485.db2.gz CRORROALZKFZBW-LBPRGKRZSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2CC)C1 ZINC001035405576 819514586 /nfs/dbraw/zinc/51/45/86/819514586.db2.gz CRORROALZKFZBW-GFCCVEGCSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2CC)C1 ZINC001035405576 819514592 /nfs/dbraw/zinc/51/45/92/819514592.db2.gz CRORROALZKFZBW-GFCCVEGCSA-N 1 2 292.383 0.599 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539750 819551172 /nfs/dbraw/zinc/55/11/72/819551172.db2.gz NPTHYPWIJNRPPJ-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539750 819551181 /nfs/dbraw/zinc/55/11/81/819551181.db2.gz NPTHYPWIJNRPPJ-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001035531110 819557064 /nfs/dbraw/zinc/55/70/64/819557064.db2.gz ZGUDRUAZCQKXJB-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001035531110 819557072 /nfs/dbraw/zinc/55/70/72/819557072.db2.gz ZGUDRUAZCQKXJB-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001118060670 819690745 /nfs/dbraw/zinc/69/07/45/819690745.db2.gz AQAQKGZETNFDIH-LLVKDONJSA-N 1 2 264.329 0.470 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000710286456 819824799 /nfs/dbraw/zinc/82/47/99/819824799.db2.gz WNMGUNLNWRNRLJ-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000710286456 819824810 /nfs/dbraw/zinc/82/48/10/819824810.db2.gz WNMGUNLNWRNRLJ-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083910414 820218682 /nfs/dbraw/zinc/21/86/82/820218682.db2.gz DZYLRMUHNROFDN-NEPJUHHUSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083910414 820218685 /nfs/dbraw/zinc/21/86/85/820218685.db2.gz DZYLRMUHNROFDN-NEPJUHHUSA-N 1 2 277.324 0.206 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001079434240 820394807 /nfs/dbraw/zinc/39/48/07/820394807.db2.gz FQCGNCQFFRNHIE-YUSALJHKSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001079434240 820394817 /nfs/dbraw/zinc/39/48/17/820394817.db2.gz FQCGNCQFFRNHIE-YUSALJHKSA-N 1 2 288.775 0.591 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001079721227 820458272 /nfs/dbraw/zinc/45/82/72/820458272.db2.gz UCVZJPQSJRQWBC-NXEZZACHSA-N 1 2 279.365 0.835 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001079721227 820458275 /nfs/dbraw/zinc/45/82/75/820458275.db2.gz UCVZJPQSJRQWBC-NXEZZACHSA-N 1 2 279.365 0.835 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)c[nH+]1 ZINC001079947761 820491380 /nfs/dbraw/zinc/49/13/80/820491380.db2.gz MFHGMVGDDFAERJ-DGCLKSJQSA-N 1 2 289.383 0.887 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001080019972 820501211 /nfs/dbraw/zinc/50/12/11/820501211.db2.gz CLWIEUFQWHPCSS-YUSALJHKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001080019972 820501216 /nfs/dbraw/zinc/50/12/16/820501216.db2.gz CLWIEUFQWHPCSS-YUSALJHKSA-N 1 2 299.802 0.702 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001080389397 820558779 /nfs/dbraw/zinc/55/87/79/820558779.db2.gz JNOXPMOGYVKHJD-GHMZBOCLSA-N 1 2 276.340 0.199 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001080389397 820558784 /nfs/dbraw/zinc/55/87/84/820558784.db2.gz JNOXPMOGYVKHJD-GHMZBOCLSA-N 1 2 276.340 0.199 20 30 CCEDLO COC(=O)[C@](C)(CO)[NH2+]CCCC1(C#N)CCOCC1 ZINC001118565138 820641848 /nfs/dbraw/zinc/64/18/48/820641848.db2.gz VFBBVLSJWFNHGD-ZDUSSCGKSA-N 1 2 284.356 0.601 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001081331572 820730245 /nfs/dbraw/zinc/73/02/45/820730245.db2.gz KYHUAJXHCNXDGO-CHWSQXEVSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001081331572 820730250 /nfs/dbraw/zinc/73/02/50/820730250.db2.gz KYHUAJXHCNXDGO-CHWSQXEVSA-N 1 2 277.324 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](OC)C1 ZINC001081828122 820837208 /nfs/dbraw/zinc/83/72/08/820837208.db2.gz KPHZRFZYQBSWRN-CHWSQXEVSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](OC)C1 ZINC001081828122 820837221 /nfs/dbraw/zinc/83/72/21/820837221.db2.gz KPHZRFZYQBSWRN-CHWSQXEVSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H](OC)C1 ZINC001081947957 820870554 /nfs/dbraw/zinc/87/05/54/820870554.db2.gz AOGYBWOHCYBNTQ-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H](OC)C1 ZINC001081947957 820870563 /nfs/dbraw/zinc/87/05/63/820870563.db2.gz AOGYBWOHCYBNTQ-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001082267997 820923278 /nfs/dbraw/zinc/92/32/78/820923278.db2.gz JOTVJHKXXBJJNC-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001082267997 820923284 /nfs/dbraw/zinc/92/32/84/820923284.db2.gz JOTVJHKXXBJJNC-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001082772558 821031478 /nfs/dbraw/zinc/03/14/78/821031478.db2.gz UPSOWDOGVRIGEC-JHJVBQTASA-N 1 2 275.356 0.794 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CCCC3)[C@H]2C1 ZINC001083010422 821103990 /nfs/dbraw/zinc/10/39/90/821103990.db2.gz LDHHQAYQTKTITE-LSDHHAIUSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CCCC3)[C@H]2C1 ZINC001083010422 821103999 /nfs/dbraw/zinc/10/39/99/821103999.db2.gz LDHHQAYQTKTITE-LSDHHAIUSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccoc3)[C@H]2C1 ZINC001083044252 821124997 /nfs/dbraw/zinc/12/49/97/821124997.db2.gz CHPLQUKSFAFPMX-LSDHHAIUSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccoc3)[C@H]2C1 ZINC001083044252 821125003 /nfs/dbraw/zinc/12/50/03/821125003.db2.gz CHPLQUKSFAFPMX-LSDHHAIUSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCO3)[C@H]2C1 ZINC001083046728 821126698 /nfs/dbraw/zinc/12/66/98/821126698.db2.gz OQOOVXDISHYDTL-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCO3)[C@H]2C1 ZINC001083046728 821126705 /nfs/dbraw/zinc/12/67/05/821126705.db2.gz OQOOVXDISHYDTL-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO C[C@H]1C(=O)NCCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166562065 821147528 /nfs/dbraw/zinc/14/75/28/821147528.db2.gz YQUASEXFAQLESS-QMMMGPOBSA-N 1 2 255.281 0.759 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084571353 821313281 /nfs/dbraw/zinc/31/32/81/821313281.db2.gz RTFMJRVJXNUHLC-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084571353 821313288 /nfs/dbraw/zinc/31/32/88/821313288.db2.gz RTFMJRVJXNUHLC-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000712277152 821463434 /nfs/dbraw/zinc/46/34/34/821463434.db2.gz PDAZQZDYDXBCTL-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000712277152 821463436 /nfs/dbraw/zinc/46/34/36/821463436.db2.gz PDAZQZDYDXBCTL-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085551245 821785782 /nfs/dbraw/zinc/78/57/82/821785782.db2.gz SPIJRDGGQURTDT-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085551245 821785790 /nfs/dbraw/zinc/78/57/90/821785790.db2.gz SPIJRDGGQURTDT-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001085581100 821830915 /nfs/dbraw/zinc/83/09/15/821830915.db2.gz CDLZYLWOWILIIT-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001085581100 821830921 /nfs/dbraw/zinc/83/09/21/821830921.db2.gz CDLZYLWOWILIIT-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085632103 821863136 /nfs/dbraw/zinc/86/31/36/821863136.db2.gz LNYQWBTWKMKMLG-CYBMUJFWSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085632103 821863148 /nfs/dbraw/zinc/86/31/48/821863148.db2.gz LNYQWBTWKMKMLG-CYBMUJFWSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CC ZINC001085689606 821902720 /nfs/dbraw/zinc/90/27/20/821902720.db2.gz KGZAOOFUEPZZIW-NSHDSACASA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CC ZINC001085689606 821902724 /nfs/dbraw/zinc/90/27/24/821902724.db2.gz KGZAOOFUEPZZIW-NSHDSACASA-N 1 2 260.341 0.752 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085714403 821914189 /nfs/dbraw/zinc/91/41/89/821914189.db2.gz IWAYXBLUZYBKCE-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085714403 821914194 /nfs/dbraw/zinc/91/41/94/821914194.db2.gz IWAYXBLUZYBKCE-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713834 821915571 /nfs/dbraw/zinc/91/55/71/821915571.db2.gz URJOLJFNXSYGJM-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713834 821915581 /nfs/dbraw/zinc/91/55/81/821915581.db2.gz URJOLJFNXSYGJM-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)n1C ZINC001085784492 821953543 /nfs/dbraw/zinc/95/35/43/821953543.db2.gz VIRJCTDPBOQHPD-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)n1C ZINC001085784492 821953550 /nfs/dbraw/zinc/95/35/50/821953550.db2.gz VIRJCTDPBOQHPD-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890284 822001404 /nfs/dbraw/zinc/00/14/04/822001404.db2.gz UWLCRNREFNXROI-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890284 822001408 /nfs/dbraw/zinc/00/14/08/822001408.db2.gz UWLCRNREFNXROI-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC2CC2)nn1 ZINC001085896274 822005152 /nfs/dbraw/zinc/00/51/52/822005152.db2.gz ZFTDDLKBKDLVJM-CYBMUJFWSA-N 1 2 287.367 0.468 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC2CC2)nn1 ZINC001085896274 822005160 /nfs/dbraw/zinc/00/51/60/822005160.db2.gz ZFTDDLKBKDLVJM-CYBMUJFWSA-N 1 2 287.367 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2nc(C)nn21 ZINC001085922743 822018017 /nfs/dbraw/zinc/01/80/17/822018017.db2.gz JEBFWGBAVHVLMC-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2nc(C)nn21 ZINC001085922743 822018030 /nfs/dbraw/zinc/01/80/30/822018030.db2.gz JEBFWGBAVHVLMC-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992014 822060231 /nfs/dbraw/zinc/06/02/31/822060231.db2.gz ARECHOZPTYVKST-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992014 822060240 /nfs/dbraw/zinc/06/02/40/822060240.db2.gz ARECHOZPTYVKST-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)oc1C ZINC001114063922 837425504 /nfs/dbraw/zinc/42/55/04/837425504.db2.gz JUHINJHFLZVOIB-HDRXNWCYSA-N 1 2 288.351 0.998 20 30 CCEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)oc1C ZINC001114063922 837425507 /nfs/dbraw/zinc/42/55/07/837425507.db2.gz JUHINJHFLZVOIB-HDRXNWCYSA-N 1 2 288.351 0.998 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114199643 837473248 /nfs/dbraw/zinc/47/32/48/837473248.db2.gz YEUJIVBURWNQSQ-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114199643 837473251 /nfs/dbraw/zinc/47/32/51/837473251.db2.gz YEUJIVBURWNQSQ-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO Cc1cnc(NC(=[NH2+])N2CCN(C)CC2)c(C#N)n1 ZINC001157915466 837695732 /nfs/dbraw/zinc/69/57/32/837695732.db2.gz PSLUFXZLNVPGMB-UHFFFAOYSA-N 1 2 259.317 0.251 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934805 844114031 /nfs/dbraw/zinc/11/40/31/844114031.db2.gz DJTBLRWSJLUGJY-VIFPVBQESA-N 1 2 283.353 0.184 20 30 CCEDLO C#Cc1cnc(NC(=O)CCc2ccc(N)[nH+]c2)c(C#C)n1 ZINC001183929216 844121528 /nfs/dbraw/zinc/12/15/28/844121528.db2.gz LBAHXJMLVJFYAJ-UHFFFAOYSA-N 1 2 291.314 0.988 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485906 836287326 /nfs/dbraw/zinc/28/73/26/836287326.db2.gz SCZKUQNXSHDDGX-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(N2CCCC2)ccn1 ZINC001156327961 836319562 /nfs/dbraw/zinc/31/95/62/836319562.db2.gz VGHCWSYNBRTFRO-ZDUSSCGKSA-N 1 2 257.341 0.984 20 30 CCEDLO COC(=O)c1cc2c[nH]c(N3CC[NH2+]C[C@@H]3C#N)cc-2n1 ZINC001156328059 836319984 /nfs/dbraw/zinc/31/99/84/836319984.db2.gz ZZTVYHDYPSAHQW-JTQLQIEISA-N 1 2 285.307 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C\C)CC2=O)C1 ZINC001108529714 836426679 /nfs/dbraw/zinc/42/66/79/836426679.db2.gz MVWMTVXVYWKUFF-XLVZXTRVSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C=C\C3CC3)CC2=O)C1 ZINC001108530941 836428708 /nfs/dbraw/zinc/42/87/08/836428708.db2.gz WCBLVXQZBNINIW-CFHLNLSMSA-N 1 2 289.379 0.540 20 30 CCEDLO CC(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108874898 836562930 /nfs/dbraw/zinc/56/29/30/836562930.db2.gz MHLYPZIIDYJSRI-AGIUHOORSA-N 1 2 292.383 0.394 20 30 CCEDLO CC(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108874898 836562934 /nfs/dbraw/zinc/56/29/34/836562934.db2.gz MHLYPZIIDYJSRI-AGIUHOORSA-N 1 2 292.383 0.394 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108935475 836581864 /nfs/dbraw/zinc/58/18/64/836581864.db2.gz WPTIFGWZUXSWDI-AGIUHOORSA-N 1 2 279.384 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108935475 836581873 /nfs/dbraw/zinc/58/18/73/836581873.db2.gz WPTIFGWZUXSWDI-AGIUHOORSA-N 1 2 279.384 0.666 20 30 CCEDLO C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109014364 836598344 /nfs/dbraw/zinc/59/83/44/836598344.db2.gz JIPPDWYBPFJXIZ-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109265728 836649557 /nfs/dbraw/zinc/64/95/57/836649557.db2.gz VWFWUUPJHLHBGC-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001112599213 836808770 /nfs/dbraw/zinc/80/87/70/836808770.db2.gz DNNWRULTIIYQCK-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112688206 836863972 /nfs/dbraw/zinc/86/39/72/836863972.db2.gz HUKXLMXKBISDMO-UHFFFAOYSA-N 1 2 279.384 0.719 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112708532 836876292 /nfs/dbraw/zinc/87/62/92/836876292.db2.gz LZFAUWTZTFDDNX-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001112823628 836928012 /nfs/dbraw/zinc/92/80/12/836928012.db2.gz HDYATXNUKAOTHY-UHFFFAOYSA-N 1 2 264.329 0.370 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)C2CCCC2)CC1 ZINC001112873600 836951299 /nfs/dbraw/zinc/95/12/99/836951299.db2.gz SWIWAWJONUYFFI-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C2(COC)CC2)CC1 ZINC001113108778 837024693 /nfs/dbraw/zinc/02/46/93/837024693.db2.gz AIAKWMRUCAUKSQ-UHFFFAOYSA-N 1 2 282.384 0.760 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113155404 837040667 /nfs/dbraw/zinc/04/06/67/837040667.db2.gz ORHDTDYCBFKMFP-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001113282102 837074255 /nfs/dbraw/zinc/07/42/55/837074255.db2.gz KIEJARWWNPOJTO-UHFFFAOYSA-N 1 2 294.399 0.512 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113388769 837108525 /nfs/dbraw/zinc/10/85/25/837108525.db2.gz OYKQJICHTURLJH-UHFFFAOYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccnn2)CC1 ZINC001113450241 837118781 /nfs/dbraw/zinc/11/87/81/837118781.db2.gz DTAUQCCGCWETLX-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC001113565019 837159968 /nfs/dbraw/zinc/15/99/68/837159968.db2.gz QDNYDZGPPUDDJI-CYBMUJFWSA-N 1 2 267.373 0.477 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1nccnc1C#N ZINC001113644803 837187437 /nfs/dbraw/zinc/18/74/37/837187437.db2.gz JWFYCEBKGBLBHB-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001184794292 844289609 /nfs/dbraw/zinc/28/96/09/844289609.db2.gz ARYAVEQEUJGZBA-GFCCVEGCSA-N 1 2 291.351 0.977 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001133154298 838562576 /nfs/dbraw/zinc/56/25/76/838562576.db2.gz FPVTVZWCHXERMF-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNCC#N ZINC001133240868 838581626 /nfs/dbraw/zinc/58/16/26/838581626.db2.gz BIHMIHPIWKDPHK-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001134061699 838846313 /nfs/dbraw/zinc/84/63/13/838846313.db2.gz DXAMBCRGOSIJTL-NEPJUHHUSA-N 1 2 276.340 0.274 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001134062062 838847752 /nfs/dbraw/zinc/84/77/52/838847752.db2.gz PQEFLYCTGDUVLV-OLZOCXBDSA-N 1 2 290.367 0.582 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(C)ccc1C#N ZINC001159293467 839104437 /nfs/dbraw/zinc/10/44/37/839104437.db2.gz INHSTOPWCTXDJW-UHFFFAOYSA-N 1 2 257.297 0.963 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090538811 839627167 /nfs/dbraw/zinc/62/71/67/839627167.db2.gz ULPJYBUAZDMVMG-RYUDHWBXSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090538811 839627175 /nfs/dbraw/zinc/62/71/75/839627175.db2.gz ULPJYBUAZDMVMG-RYUDHWBXSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590233 839661071 /nfs/dbraw/zinc/66/10/71/839661071.db2.gz RQQZLZRYKRRUCA-NEPJUHHUSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590233 839661072 /nfs/dbraw/zinc/66/10/72/839661072.db2.gz RQQZLZRYKRRUCA-NEPJUHHUSA-N 1 2 296.758 0.394 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CCC)C2)nn1 ZINC001185842554 844467383 /nfs/dbraw/zinc/46/73/83/844467383.db2.gz JJRYYLALOMOGHL-CQSZACIVSA-N 1 2 289.383 0.965 20 30 CCEDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)ncc1C#N ZINC001185865442 844469205 /nfs/dbraw/zinc/46/92/05/844469205.db2.gz KMNCFUISCNADCK-ZDUSSCGKSA-N 1 2 257.341 0.673 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001143716046 839872154 /nfs/dbraw/zinc/87/21/54/839872154.db2.gz BILCHIOLRAYXMS-MFKMUULPSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001143716046 839872160 /nfs/dbraw/zinc/87/21/60/839872160.db2.gz BILCHIOLRAYXMS-MFKMUULPSA-N 1 2 266.728 0.997 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(CC)no2)cn1 ZINC001148389386 840790208 /nfs/dbraw/zinc/79/02/08/840790208.db2.gz JRRBPKXEQFZTSI-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nccc(C)n2)nc1 ZINC001148370382 840795408 /nfs/dbraw/zinc/79/54/08/840795408.db2.gz VIEGBXCBTHOIDS-UHFFFAOYSA-N 1 2 295.346 0.681 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nonc2C)cn1 ZINC001148383233 840799401 /nfs/dbraw/zinc/79/94/01/840799401.db2.gz ZFVSCIOTZALIIO-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001098344903 840964058 /nfs/dbraw/zinc/96/40/58/840964058.db2.gz YJIUZVRLIOTPSZ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1nccnc1C#N ZINC001098344903 840964064 /nfs/dbraw/zinc/96/40/64/840964064.db2.gz YJIUZVRLIOTPSZ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO COCCOc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc[nH+]1 ZINC001171368995 840968016 /nfs/dbraw/zinc/96/80/16/840968016.db2.gz OBSLSXNIDJKKGU-CABZTGNLSA-N 1 2 281.312 0.755 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn[nH]1)c1nccn12 ZINC001092352851 841006984 /nfs/dbraw/zinc/00/69/84/841006984.db2.gz RYNZGXANBFZRIQ-GFCCVEGCSA-N 1 2 298.350 0.678 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001093559440 841362364 /nfs/dbraw/zinc/36/23/64/841362364.db2.gz OALGCNGUNAFBJI-UHFFFAOYSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C)nn2)C1 ZINC001094270558 841578134 /nfs/dbraw/zinc/57/81/34/841578134.db2.gz BQUIHSADKIREKW-ZWNOBZJWSA-N 1 2 275.356 0.593 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ccncc1C#N ZINC001094504256 841643693 /nfs/dbraw/zinc/64/36/93/841643693.db2.gz NFKSNXUJZQLGLA-UHFFFAOYSA-N 1 2 298.350 0.270 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)CCn2cc[nH+]c2)nn1 ZINC001094689433 841703552 /nfs/dbraw/zinc/70/35/52/841703552.db2.gz MBDXRVNWGZLNSM-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO N#Cc1cccnc1NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001094806843 841729411 /nfs/dbraw/zinc/72/94/11/841729411.db2.gz BUKJGJZQKWKKNM-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173734366 842134724 /nfs/dbraw/zinc/13/47/24/842134724.db2.gz MZNZJVZEEORVRO-UTLUCORTSA-N 1 2 285.373 0.218 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173730152 842159753 /nfs/dbraw/zinc/15/97/53/842159753.db2.gz KPMJJMLOKCLVHK-DCAQKATOSA-N 1 2 299.400 0.608 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177079570 842502071 /nfs/dbraw/zinc/50/20/71/842502071.db2.gz DRKIGZBCNPTOOD-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177079570 842502078 /nfs/dbraw/zinc/50/20/78/842502078.db2.gz DRKIGZBCNPTOOD-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001110207185 842577116 /nfs/dbraw/zinc/57/71/16/842577116.db2.gz RSYSXCFLWDEUCH-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCc2cccc(C#N)c2)C1 ZINC001182341692 843775050 /nfs/dbraw/zinc/77/50/50/843775050.db2.gz VESDLARWYZMTFQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)CCc2cccc(C#N)c2)C1 ZINC001182341692 843775057 /nfs/dbraw/zinc/77/50/57/843775057.db2.gz VESDLARWYZMTFQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC001182423113 843810244 /nfs/dbraw/zinc/81/02/44/843810244.db2.gz QWAXZHKNHGTOEC-GFCCVEGCSA-N 1 2 290.367 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cn3cccnc3n2)CC1 ZINC001182729493 843907037 /nfs/dbraw/zinc/90/70/37/843907037.db2.gz DOWBTVLYBXCLRV-UHFFFAOYSA-N 1 2 285.351 0.602 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001188294133 844856318 /nfs/dbraw/zinc/85/63/18/844856318.db2.gz DGDCSWYTDPWVRQ-LLVKDONJSA-N 1 2 296.396 0.821 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001190968462 845554780 /nfs/dbraw/zinc/55/47/80/845554780.db2.gz FSPFTOZXDSPZIP-RRFJBIMHSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001190968462 845554784 /nfs/dbraw/zinc/55/47/84/845554784.db2.gz FSPFTOZXDSPZIP-RRFJBIMHSA-N 1 2 292.379 0.154 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001193559058 846118773 /nfs/dbraw/zinc/11/87/73/846118773.db2.gz VRLZJFYICUJEMK-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001193559058 846118777 /nfs/dbraw/zinc/11/87/77/846118777.db2.gz VRLZJFYICUJEMK-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001194144321 846223480 /nfs/dbraw/zinc/22/34/80/846223480.db2.gz GXCFXAYKTCHQEP-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001194144321 846223491 /nfs/dbraw/zinc/22/34/91/846223491.db2.gz GXCFXAYKTCHQEP-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001194308394 846258838 /nfs/dbraw/zinc/25/88/38/846258838.db2.gz KKUQBZQBAJBUEH-MRVWCRGKSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001194308394 846258849 /nfs/dbraw/zinc/25/88/49/846258849.db2.gz KKUQBZQBAJBUEH-MRVWCRGKSA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195226019 846483256 /nfs/dbraw/zinc/48/32/56/846483256.db2.gz LSFQZWBONNPXQJ-LLVKDONJSA-N 1 2 253.346 0.361 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195226019 846483261 /nfs/dbraw/zinc/48/32/61/846483261.db2.gz LSFQZWBONNPXQJ-LLVKDONJSA-N 1 2 253.346 0.361 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001195429488 846539605 /nfs/dbraw/zinc/53/96/05/846539605.db2.gz MTZRLHJPPRVGCE-CQSZACIVSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001195429488 846539607 /nfs/dbraw/zinc/53/96/07/846539607.db2.gz MTZRLHJPPRVGCE-CQSZACIVSA-N 1 2 273.336 0.927 20 30 CCEDLO N#Cc1cccnc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001196561043 846775532 /nfs/dbraw/zinc/77/55/32/846775532.db2.gz FAULVVODPNRMMQ-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1cccnc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001196561043 846775537 /nfs/dbraw/zinc/77/55/37/846775537.db2.gz FAULVVODPNRMMQ-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO CC[C@H](F)C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001196761646 846794725 /nfs/dbraw/zinc/79/47/25/846794725.db2.gz BZBJDMRLIMZEMM-ZDUSSCGKSA-N 1 2 270.348 0.919 20 30 CCEDLO CC[C@H](F)C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001196761646 846794731 /nfs/dbraw/zinc/79/47/31/846794731.db2.gz BZBJDMRLIMZEMM-ZDUSSCGKSA-N 1 2 270.348 0.919 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCCCCC)C1 ZINC001198134657 847046065 /nfs/dbraw/zinc/04/60/65/847046065.db2.gz XXMWGRZOZUTKSQ-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCCCCCC)C1 ZINC001198134657 847046071 /nfs/dbraw/zinc/04/60/71/847046071.db2.gz XXMWGRZOZUTKSQ-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001198343482 847091346 /nfs/dbraw/zinc/09/13/46/847091346.db2.gz KZZCFWXKXCWKPL-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001198343482 847091358 /nfs/dbraw/zinc/09/13/58/847091358.db2.gz KZZCFWXKXCWKPL-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO N#CCN1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368126 847096584 /nfs/dbraw/zinc/09/65/84/847096584.db2.gz OFAIPEAJQQGBOR-UHFFFAOYSA-N 1 2 275.356 0.721 20 30 CCEDLO CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450287 847118685 /nfs/dbraw/zinc/11/86/85/847118685.db2.gz VXCMXJDNPJZQKZ-NWDGAFQWSA-N 1 2 275.356 0.963 20 30 CCEDLO CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450287 847118689 /nfs/dbraw/zinc/11/86/89/847118689.db2.gz VXCMXJDNPJZQKZ-NWDGAFQWSA-N 1 2 275.356 0.963 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001199313834 847291676 /nfs/dbraw/zinc/29/16/76/847291676.db2.gz MHUNGEVKIZKJMJ-XLMCQVRKSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001199313834 847291685 /nfs/dbraw/zinc/29/16/85/847291685.db2.gz MHUNGEVKIZKJMJ-XLMCQVRKSA-N 1 2 288.775 0.493 20 30 CCEDLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539543 847371589 /nfs/dbraw/zinc/37/15/89/847371589.db2.gz XULLEXJVKQVEMZ-YUELXQCFSA-N 1 2 299.378 0.450 20 30 CCEDLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539543 847371598 /nfs/dbraw/zinc/37/15/98/847371598.db2.gz XULLEXJVKQVEMZ-YUELXQCFSA-N 1 2 299.378 0.450 20 30 CCEDLO C=CCNC(S)/[NH+]=C/COCCOCCOCCO ZINC001200299227 847601282 /nfs/dbraw/zinc/60/12/82/847601282.db2.gz HDWUCLFQUACVTA-UHFFFAOYSA-N 1 2 291.393 0.252 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)OC ZINC001273931468 847862026 /nfs/dbraw/zinc/86/20/26/847862026.db2.gz KNILSMAWOGHTKB-CQSZACIVSA-N 1 2 266.341 0.802 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC ZINC001273931468 847862034 /nfs/dbraw/zinc/86/20/34/847862034.db2.gz KNILSMAWOGHTKB-CQSZACIVSA-N 1 2 266.341 0.802 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001252483261 847983484 /nfs/dbraw/zinc/98/34/84/847983484.db2.gz RXORKIZEKONBQB-OLZOCXBDSA-N 1 2 287.356 0.108 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C/C[NH2+]Cc1ccon1 ZINC001274018107 848305992 /nfs/dbraw/zinc/30/59/92/848305992.db2.gz XNJRGSXWZQEKFK-OWOJBTEDSA-N 1 2 259.309 0.850 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ncc(C)o1 ZINC001274017704 848306050 /nfs/dbraw/zinc/30/60/50/848306050.db2.gz VJLBZQDCLZYTAP-GFUIURDCSA-N 1 2 291.351 0.783 20 30 CCEDLO COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N)OC ZINC001274030694 848309179 /nfs/dbraw/zinc/30/91/79/848309179.db2.gz UWLSHIICRHJRIN-VXGBXAGGSA-N 1 2 281.356 0.584 20 30 CCEDLO COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N)OC ZINC001274030694 848309186 /nfs/dbraw/zinc/30/91/86/848309186.db2.gz UWLSHIICRHJRIN-VXGBXAGGSA-N 1 2 281.356 0.584 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F ZINC001274048516 848324105 /nfs/dbraw/zinc/32/41/05/848324105.db2.gz LPQLEEBLUJJYOZ-TUUFMJSCSA-N 1 2 252.211 0.782 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001274048516 848324116 /nfs/dbraw/zinc/32/41/16/848324116.db2.gz LPQLEEBLUJJYOZ-TUUFMJSCSA-N 1 2 252.211 0.782 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274062192 848333431 /nfs/dbraw/zinc/33/34/31/848333431.db2.gz NAHGMDGHBQIJFJ-ZDUSSCGKSA-N 1 2 251.330 0.115 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274062192 848333436 /nfs/dbraw/zinc/33/34/36/848333436.db2.gz NAHGMDGHBQIJFJ-ZDUSSCGKSA-N 1 2 251.330 0.115 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001274069603 848338789 /nfs/dbraw/zinc/33/87/89/848338789.db2.gz UPWFYAJTJVEFPT-SNAWJCMRSA-N 1 2 278.360 0.328 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CNCC#N)ccn12 ZINC001275156984 848652410 /nfs/dbraw/zinc/65/24/10/848652410.db2.gz MPMBUBAJTPIWEB-JTQLQIEISA-N 1 2 271.324 0.874 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001275818411 848835439 /nfs/dbraw/zinc/83/54/39/848835439.db2.gz JICJHCOZRGAQIR-IUODEOHRSA-N 1 2 294.399 0.684 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001275818411 848835442 /nfs/dbraw/zinc/83/54/42/848835442.db2.gz JICJHCOZRGAQIR-IUODEOHRSA-N 1 2 294.399 0.684 20 30 CCEDLO CN(CCCNCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001276086002 848920905 /nfs/dbraw/zinc/92/09/05/848920905.db2.gz ZOWRSWMWSBFBSG-GFCCVEGCSA-N 1 2 275.356 0.407 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001095617677 848999288 /nfs/dbraw/zinc/99/92/88/848999288.db2.gz OTHVRVIXTJHAGK-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110899547 849018628 /nfs/dbraw/zinc/01/86/28/849018628.db2.gz HPMDFEVSMVVOJW-VJTDZRGJSA-N 1 2 289.379 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110899547 849018630 /nfs/dbraw/zinc/01/86/30/849018630.db2.gz HPMDFEVSMVVOJW-VJTDZRGJSA-N 1 2 289.379 0.113 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110989182 849037970 /nfs/dbraw/zinc/03/79/70/849037970.db2.gz HQWZYFQUAVGLEA-FJJYHAOUSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110989182 849037976 /nfs/dbraw/zinc/03/79/76/849037976.db2.gz HQWZYFQUAVGLEA-FJJYHAOUSA-N 1 2 279.384 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038649047 849244077 /nfs/dbraw/zinc/24/40/77/849244077.db2.gz XVXWMDNDSBVVQK-MNOVXSKESA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038649047 849244083 /nfs/dbraw/zinc/24/40/83/849244083.db2.gz XVXWMDNDSBVVQK-MNOVXSKESA-N 1 2 273.340 0.048 20 30 CCEDLO C=CCC[C@@H](C)[NH+]1CC(N2CCS(=O)(=O)CC2)C1 ZINC001258735559 849511040 /nfs/dbraw/zinc/51/10/40/849511040.db2.gz WGKZOTWCYJSOOT-GFCCVEGCSA-N 1 2 272.414 0.756 20 30 CCEDLO C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038623700 849691620 /nfs/dbraw/zinc/69/16/20/849691620.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623700 849691623 /nfs/dbraw/zinc/69/16/23/849691623.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 1 2 295.427 0.862 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001038323393 849850725 /nfs/dbraw/zinc/85/07/25/849850725.db2.gz WXSGNUAQPHLNCJ-GFCCVEGCSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001038323393 849850727 /nfs/dbraw/zinc/85/07/27/849850727.db2.gz WXSGNUAQPHLNCJ-GFCCVEGCSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001038323396 849852045 /nfs/dbraw/zinc/85/20/45/849852045.db2.gz WXSGNUAQPHLNCJ-LBPRGKRZSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001038323396 849852050 /nfs/dbraw/zinc/85/20/50/849852050.db2.gz WXSGNUAQPHLNCJ-LBPRGKRZSA-N 1 2 286.331 0.895 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCN1CC#N)C2 ZINC001038432399 849896787 /nfs/dbraw/zinc/89/67/87/849896787.db2.gz VDVBWSFLBMQMNG-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCN1CC#N)CC2 ZINC001038432399 849896790 /nfs/dbraw/zinc/89/67/90/849896790.db2.gz VDVBWSFLBMQMNG-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038431330 849896874 /nfs/dbraw/zinc/89/68/74/849896874.db2.gz BWHOIQDPOSSYRL-JTQLQIEISA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038431330 849896881 /nfs/dbraw/zinc/89/68/81/849896881.db2.gz BWHOIQDPOSSYRL-JTQLQIEISA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001038444438 849903359 /nfs/dbraw/zinc/90/33/59/849903359.db2.gz CFYXNICDAHXUBH-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001038444438 849903361 /nfs/dbraw/zinc/90/33/61/849903361.db2.gz CFYXNICDAHXUBH-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001038510103 849926490 /nfs/dbraw/zinc/92/64/90/849926490.db2.gz IOLJDXUNSKWXTL-NSHDSACASA-N 1 2 269.308 0.662 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038720085 849994874 /nfs/dbraw/zinc/99/48/74/849994874.db2.gz KNEDQXAOWIELSV-YNEHKIRRSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038720085 849994886 /nfs/dbraw/zinc/99/48/86/849994886.db2.gz KNEDQXAOWIELSV-YNEHKIRRSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038768257 850009534 /nfs/dbraw/zinc/00/95/34/850009534.db2.gz PERNYQRKCOKCBE-LBPRGKRZSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038768257 850009546 /nfs/dbraw/zinc/00/95/46/850009546.db2.gz PERNYQRKCOKCBE-LBPRGKRZSA-N 1 2 270.336 0.791 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001038782931 850014908 /nfs/dbraw/zinc/01/49/08/850014908.db2.gz YQAWFBFBBIPLCU-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001038782931 850014912 /nfs/dbraw/zinc/01/49/12/850014912.db2.gz YQAWFBFBBIPLCU-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038854165 850050776 /nfs/dbraw/zinc/05/07/76/850050776.db2.gz PPAHWGPDJPQEOZ-ZDUSSCGKSA-N 1 2 289.383 0.995 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038854165 850050784 /nfs/dbraw/zinc/05/07/84/850050784.db2.gz PPAHWGPDJPQEOZ-ZDUSSCGKSA-N 1 2 289.383 0.995 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001038900556 850074550 /nfs/dbraw/zinc/07/45/50/850074550.db2.gz WJIJPMRBQGZJMN-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001038900556 850074563 /nfs/dbraw/zinc/07/45/63/850074563.db2.gz WJIJPMRBQGZJMN-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001038970442 850105475 /nfs/dbraw/zinc/10/54/75/850105475.db2.gz JEWCFMXADPSNAX-JTQLQIEISA-N 1 2 297.318 0.168 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001038970442 850105480 /nfs/dbraw/zinc/10/54/80/850105480.db2.gz JEWCFMXADPSNAX-JTQLQIEISA-N 1 2 297.318 0.168 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)OCCO2 ZINC001039011080 850118575 /nfs/dbraw/zinc/11/85/75/850118575.db2.gz MYNDCPGJZURFPZ-CYBMUJFWSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)OCCO2 ZINC001039011080 850118578 /nfs/dbraw/zinc/11/85/78/850118578.db2.gz MYNDCPGJZURFPZ-CYBMUJFWSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC001039088358 850152409 /nfs/dbraw/zinc/15/24/09/850152409.db2.gz BCOUQQUTQDBSTG-STQMWFEESA-N 1 2 262.353 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC001039088358 850152411 /nfs/dbraw/zinc/15/24/11/850152411.db2.gz BCOUQQUTQDBSTG-STQMWFEESA-N 1 2 262.353 0.627 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C)cn2)C1 ZINC001042436708 850643507 /nfs/dbraw/zinc/64/35/07/850643507.db2.gz MIMOSRGATJUASH-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042625294 850715539 /nfs/dbraw/zinc/71/55/39/850715539.db2.gz DSOLISLPYALOBX-UHFFFAOYSA-N 1 2 298.350 0.576 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001043123318 850818360 /nfs/dbraw/zinc/81/83/60/850818360.db2.gz FEIQYOKJIKZKHQ-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc(OC)cn2)C1 ZINC001043296493 850851602 /nfs/dbraw/zinc/85/16/02/850851602.db2.gz FOMGXODUURERRD-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001043519454 850891551 /nfs/dbraw/zinc/89/15/51/850891551.db2.gz ZLXWHFOWTYRGGG-RYUDHWBXSA-N 1 2 265.357 0.217 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ccc(C)cc2=O)C1 ZINC001043991734 850979480 /nfs/dbraw/zinc/97/94/80/850979480.db2.gz OIGODVLWPXJTMD-UHFFFAOYSA-N 1 2 275.352 0.485 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)N2CCOCC2)C1 ZINC001044051382 850993657 /nfs/dbraw/zinc/99/36/57/850993657.db2.gz MWYLBNDBONOKLZ-UHFFFAOYSA-N 1 2 295.427 0.816 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001044108344 851012778 /nfs/dbraw/zinc/01/27/78/851012778.db2.gz KHYBDYRIXDFOFS-UHFFFAOYSA-N 1 2 289.383 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001044167776 851029260 /nfs/dbraw/zinc/02/92/60/851029260.db2.gz ZAXCNXSKQSWLJM-ZDUSSCGKSA-N 1 2 294.399 0.638 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001044265728 851055273 /nfs/dbraw/zinc/05/52/73/851055273.db2.gz JUUVEWRMMIMSHU-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001044961647 851194856 /nfs/dbraw/zinc/19/48/56/851194856.db2.gz QHZJGVYEDXWLLN-KOLCDFICSA-N 1 2 279.369 0.778 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2N)C1 ZINC001046261420 851443354 /nfs/dbraw/zinc/44/33/54/851443354.db2.gz CWNZYJKUBBCQKT-CYBMUJFWSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2N)C1 ZINC001046261420 851443367 /nfs/dbraw/zinc/44/33/67/851443367.db2.gz CWNZYJKUBBCQKT-CYBMUJFWSA-N 1 2 297.790 0.949 20 30 CCEDLO C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046849029 851630720 /nfs/dbraw/zinc/63/07/20/851630720.db2.gz LYQHFJYGQLMCCP-TZMCWYRMSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046849029 851630724 /nfs/dbraw/zinc/63/07/24/851630724.db2.gz LYQHFJYGQLMCCP-TZMCWYRMSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C)C1 ZINC001047295345 851700306 /nfs/dbraw/zinc/70/03/06/851700306.db2.gz FOMCMSQTOXMKRL-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C)C1 ZINC001047295345 851700314 /nfs/dbraw/zinc/70/03/14/851700314.db2.gz FOMCMSQTOXMKRL-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001047291078 851701528 /nfs/dbraw/zinc/70/15/28/851701528.db2.gz UAWQFOFDEBYFFT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001047291078 851701532 /nfs/dbraw/zinc/70/15/32/851701532.db2.gz UAWQFOFDEBYFFT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001047314075 851712187 /nfs/dbraw/zinc/71/21/87/851712187.db2.gz YFUGWIYKLYCGSG-RYUDHWBXSA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001047314075 851712191 /nfs/dbraw/zinc/71/21/91/851712191.db2.gz YFUGWIYKLYCGSG-RYUDHWBXSA-N 1 2 293.392 0.592 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001047479463 851778009 /nfs/dbraw/zinc/77/80/09/851778009.db2.gz NZEPOKSVZQPRQM-KBPBESRZSA-N 1 2 292.383 0.665 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001047479463 851778017 /nfs/dbraw/zinc/77/80/17/851778017.db2.gz NZEPOKSVZQPRQM-KBPBESRZSA-N 1 2 292.383 0.665 20 30 CCEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645920 851845768 /nfs/dbraw/zinc/84/57/68/851845768.db2.gz BTVNFCFHJVETJF-RYUDHWBXSA-N 1 2 298.774 0.139 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096442876 852111401 /nfs/dbraw/zinc/11/14/01/852111401.db2.gz VTWFECIPPIZSEH-WCQYABFASA-N 1 2 288.351 0.518 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691008 852351033 /nfs/dbraw/zinc/35/10/33/852351033.db2.gz JRWJHBHQQLLEMU-ZJUUUORDSA-N 1 2 271.748 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691008 852351040 /nfs/dbraw/zinc/35/10/40/852351040.db2.gz JRWJHBHQQLLEMU-ZJUUUORDSA-N 1 2 271.748 0.290 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751435 852365671 /nfs/dbraw/zinc/36/56/71/852365671.db2.gz VTFRQQTXHVXKMD-QWHCGFSZSA-N 1 2 273.340 0.541 20 30 CCEDLO N#CC1(NC(=O)Cc2c[nH]c[nH+]2)CCSCC1 ZINC001262155056 852497450 /nfs/dbraw/zinc/49/74/50/852497450.db2.gz AJIWWJJEMKCWOR-UHFFFAOYSA-N 1 2 250.327 0.858 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363846 852530942 /nfs/dbraw/zinc/53/09/42/852530942.db2.gz RUVUCOCHFGYYIX-DGAVXFQQSA-N 1 2 299.378 0.691 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncnc1)CCO2 ZINC001053229211 852714156 /nfs/dbraw/zinc/71/41/56/852714156.db2.gz CUZFOUQPJSRYPY-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCO1)O2 ZINC001053566284 852759851 /nfs/dbraw/zinc/75/98/51/852759851.db2.gz KFWXNJPPKFAFNK-STQMWFEESA-N 1 2 280.368 0.701 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncc[nH]1)O2 ZINC001053596404 852769113 /nfs/dbraw/zinc/76/91/13/852769113.db2.gz SXIODMZETUBTPJ-LBPRGKRZSA-N 1 2 290.367 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@]13C[C@H]1COC3)O2 ZINC001053600166 852769906 /nfs/dbraw/zinc/76/99/06/852769906.db2.gz AVXQDNHOWQGNIQ-ZENOOKHLSA-N 1 2 292.379 0.559 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnon1)O2 ZINC001053678351 852776036 /nfs/dbraw/zinc/77/60/36/852776036.db2.gz WSNIBVSVCLSQKJ-JTQLQIEISA-N 1 2 278.312 0.219 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccon1)CO2 ZINC001053749046 852802663 /nfs/dbraw/zinc/80/26/63/852802663.db2.gz JLEMKKAHFQTYFT-LLVKDONJSA-N 1 2 275.308 0.271 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncs1)CO2 ZINC001053749990 852802883 /nfs/dbraw/zinc/80/28/83/852802883.db2.gz CQCYVAITOKBKIS-NSHDSACASA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccon1)CO2 ZINC001053761233 852810241 /nfs/dbraw/zinc/81/02/41/852810241.db2.gz WEGXBKDPGVNZDA-ZDUSSCGKSA-N 1 2 291.351 0.753 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)O)C3)C2)C1 ZINC001053919616 852847197 /nfs/dbraw/zinc/84/71/97/852847197.db2.gz PNFGNLOSKHSRSR-OLZOCXBDSA-N 1 2 294.395 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccncn1)CO2 ZINC001053958026 852855843 /nfs/dbraw/zinc/85/58/43/852855843.db2.gz MYEKBKHDASXDIZ-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO CN1CCN(C2C[NH+]([C@H]3CC[C@H](C#N)C3)C2)CC1=O ZINC001254671687 852905011 /nfs/dbraw/zinc/90/50/11/852905011.db2.gz TYOCHXNLAGAJEB-RYUDHWBXSA-N 1 2 262.357 0.137 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)o1 ZINC001054638914 852987309 /nfs/dbraw/zinc/98/73/09/852987309.db2.gz REAOHGCRMVMKLW-GXFFZTMASA-N 1 2 288.351 0.728 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ncccc1C#N ZINC001097955141 852997025 /nfs/dbraw/zinc/99/70/25/852997025.db2.gz DSFWZAWNCJLXAJ-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)cn1 ZINC001097955837 852997346 /nfs/dbraw/zinc/99/73/46/852997346.db2.gz VVLHWFNLFPYSJO-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050709360 853417578 /nfs/dbraw/zinc/41/75/78/853417578.db2.gz SQXGFQGWIMAFIL-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001050805451 853441256 /nfs/dbraw/zinc/44/12/56/853441256.db2.gz LMMXWKOPBSJEHE-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001050805451 853441257 /nfs/dbraw/zinc/44/12/57/853441257.db2.gz LMMXWKOPBSJEHE-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1CC ZINC001050895331 853478461 /nfs/dbraw/zinc/47/84/61/853478461.db2.gz TYGSDIVDQBKWDD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1CC ZINC001050895331 853478466 /nfs/dbraw/zinc/47/84/66/853478466.db2.gz TYGSDIVDQBKWDD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001050899755 853479522 /nfs/dbraw/zinc/47/95/22/853479522.db2.gz BKYCUABOPXIRGN-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001050899755 853479532 /nfs/dbraw/zinc/47/95/32/853479532.db2.gz BKYCUABOPXIRGN-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001051251809 853555710 /nfs/dbraw/zinc/55/57/10/853555710.db2.gz RVCXCLVNDJVAOY-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001051251809 853555713 /nfs/dbraw/zinc/55/57/13/853555713.db2.gz RVCXCLVNDJVAOY-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO CC(C)(F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051967986 853666327 /nfs/dbraw/zinc/66/63/27/853666327.db2.gz ZEMZJXLKJDICTI-GFCCVEGCSA-N 1 2 282.363 0.477 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3)C2)CC1 ZINC001051971842 853667886 /nfs/dbraw/zinc/66/78/86/853667886.db2.gz ZWWHYYLQIYATOD-MRXNPFEDSA-N 1 2 298.390 0.547 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc[nH]3)C2)CC1 ZINC001051982336 853669619 /nfs/dbraw/zinc/66/96/19/853669619.db2.gz DKPVAFVIMVVRHX-CQSZACIVSA-N 1 2 286.379 0.480 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001051991929 853672166 /nfs/dbraw/zinc/67/21/66/853672166.db2.gz OQFDHJOSXFMVFZ-AWEZNQCLSA-N 1 2 289.383 0.428 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998518 853674261 /nfs/dbraw/zinc/67/42/61/853674261.db2.gz VFMPUDSSYXNZCN-KGLIPLIRSA-N 1 2 276.384 0.551 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001058329975 853825818 /nfs/dbraw/zinc/82/58/18/853825818.db2.gz HPWZCTBWMYEUJL-GFCCVEGCSA-N 1 2 296.334 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@@H](n2ccnn2)C1 ZINC001069999286 854015254 /nfs/dbraw/zinc/01/52/54/854015254.db2.gz YBRLWHAFZZTEBX-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)[C@@H](n2ccnn2)C1 ZINC001069999286 854015260 /nfs/dbraw/zinc/01/52/60/854015260.db2.gz YBRLWHAFZZTEBX-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070031875 854017289 /nfs/dbraw/zinc/01/72/89/854017289.db2.gz XORLCPBATXRUBX-SYQHCUMBSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070031875 854017293 /nfs/dbraw/zinc/01/72/93/854017293.db2.gz XORLCPBATXRUBX-SYQHCUMBSA-N 1 2 287.367 0.299 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001070937811 854104772 /nfs/dbraw/zinc/10/47/72/854104772.db2.gz YMGZSYPXPGIBDL-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001070937811 854104776 /nfs/dbraw/zinc/10/47/76/854104776.db2.gz YMGZSYPXPGIBDL-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001070934763 854105112 /nfs/dbraw/zinc/10/51/12/854105112.db2.gz OJEDODFKUQTRRT-KGLIPLIRSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001070934763 854105115 /nfs/dbraw/zinc/10/51/15/854105115.db2.gz OJEDODFKUQTRRT-KGLIPLIRSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001070942288 854106733 /nfs/dbraw/zinc/10/67/33/854106733.db2.gz XWPPIVWGIHYBJV-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001070942288 854106735 /nfs/dbraw/zinc/10/67/35/854106735.db2.gz XWPPIVWGIHYBJV-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C(C)=C/C)CC1 ZINC001070954239 854108627 /nfs/dbraw/zinc/10/86/27/854108627.db2.gz TUBNBXJYEUQLAP-WLRTZDKTSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C(C)=C/C)CC1 ZINC001070954239 854108632 /nfs/dbraw/zinc/10/86/32/854108632.db2.gz TUBNBXJYEUQLAP-WLRTZDKTSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001070955317 854110533 /nfs/dbraw/zinc/11/05/33/854110533.db2.gz QKXNDKKPEOCYTA-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001070955317 854110534 /nfs/dbraw/zinc/11/05/34/854110534.db2.gz QKXNDKKPEOCYTA-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001071415733 854180994 /nfs/dbraw/zinc/18/09/94/854180994.db2.gz KOTTTXWVTKAPAW-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nccn2)CC[C@@H]1C ZINC001071537152 854232613 /nfs/dbraw/zinc/23/26/13/854232613.db2.gz UNCCAWIHSNTPJR-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2nccn2)CC[C@@H]1C ZINC001071537152 854232618 /nfs/dbraw/zinc/23/26/18/854232618.db2.gz UNCCAWIHSNTPJR-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071806555 854296744 /nfs/dbraw/zinc/29/67/44/854296744.db2.gz FDKYQJRHJDJMBT-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071806555 854296750 /nfs/dbraw/zinc/29/67/50/854296750.db2.gz FDKYQJRHJDJMBT-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073662757 854626614 /nfs/dbraw/zinc/62/66/14/854626614.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073662757 854626622 /nfs/dbraw/zinc/62/66/22/854626622.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001074180742 854688123 /nfs/dbraw/zinc/68/81/23/854688123.db2.gz HRNWAOWWUVTVOV-KGLIPLIRSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001074180742 854688125 /nfs/dbraw/zinc/68/81/25/854688125.db2.gz HRNWAOWWUVTVOV-KGLIPLIRSA-N 1 2 288.351 0.348 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001074218740 854698472 /nfs/dbraw/zinc/69/84/72/854698472.db2.gz DMUJRDRONWINLG-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001074218740 854698478 /nfs/dbraw/zinc/69/84/78/854698478.db2.gz DMUJRDRONWINLG-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229942 854701551 /nfs/dbraw/zinc/70/15/51/854701551.db2.gz PYLYAXMOZCYNFC-ZIAGYGMSSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229942 854701556 /nfs/dbraw/zinc/70/15/56/854701556.db2.gz PYLYAXMOZCYNFC-ZIAGYGMSSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 ZINC001074236049 854703663 /nfs/dbraw/zinc/70/36/63/854703663.db2.gz LRZYTGIAANORPC-QWHCGFSZSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 ZINC001074236049 854703671 /nfs/dbraw/zinc/70/36/71/854703671.db2.gz LRZYTGIAANORPC-QWHCGFSZSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074245505 854704935 /nfs/dbraw/zinc/70/49/35/854704935.db2.gz POKAYXYSURCTGS-HUUCEWRRSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074245505 854704941 /nfs/dbraw/zinc/70/49/41/854704941.db2.gz POKAYXYSURCTGS-HUUCEWRRSA-N 1 2 287.363 0.953 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)c1 ZINC001074335599 854713660 /nfs/dbraw/zinc/71/36/60/854713660.db2.gz BEIMYPKGIVUNIP-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)c1 ZINC001074335599 854713662 /nfs/dbraw/zinc/71/36/62/854713662.db2.gz BEIMYPKGIVUNIP-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)n1 ZINC001074568276 854749946 /nfs/dbraw/zinc/74/99/46/854749946.db2.gz MBFDOQLRTHRJLX-YWVKMMECSA-N 1 2 277.328 0.617 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)n1 ZINC001074568779 854750143 /nfs/dbraw/zinc/75/01/43/854750143.db2.gz XPQYQYVLTMYPMW-DCAQKATOSA-N 1 2 291.355 0.871 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001098307339 854857707 /nfs/dbraw/zinc/85/77/07/854857707.db2.gz YLWABYVQIUUYTJ-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098614951 854873935 /nfs/dbraw/zinc/87/39/35/854873935.db2.gz FESANWMPOVWIIA-CQSZACIVSA-N 1 2 289.383 0.820 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)c1cc[nH+]c(C)n1 ZINC001100471464 855175105 /nfs/dbraw/zinc/17/51/05/855175105.db2.gz FFEDDURNFFMSGD-SNVBAGLBSA-N 1 2 261.329 0.887 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCC1CC(NCC#N)C1 ZINC001100933864 855241848 /nfs/dbraw/zinc/24/18/48/855241848.db2.gz AUXBTSQAMWGKSW-UHFFFAOYSA-N 1 2 275.356 0.361 20 30 CCEDLO Cc1cc(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)c(C#N)cn1 ZINC001101975702 855402880 /nfs/dbraw/zinc/40/28/80/855402880.db2.gz ODEBFOXOXBNUIV-UHFFFAOYSA-N 1 2 298.350 0.520 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001103117512 855498064 /nfs/dbraw/zinc/49/80/64/855498064.db2.gz JNOTVCTZPWNROB-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001103334726 855513335 /nfs/dbraw/zinc/51/33/35/855513335.db2.gz KYIDIOVZFTYBFQ-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1cncc(C#N)n1 ZINC001104002682 855559434 /nfs/dbraw/zinc/55/94/34/855559434.db2.gz XXJKPFFFBNMZLH-NSHDSACASA-N 1 2 299.338 0.409 20 30 CCEDLO C[C@@H](CNC(=O)CCCCC#N)[NH+]1CCN(C)CC1 ZINC001118374443 856278630 /nfs/dbraw/zinc/27/86/30/856278630.db2.gz RJLVGXZJTYKUBC-ZDUSSCGKSA-N 1 2 266.389 0.822 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001119677412 856831114 /nfs/dbraw/zinc/83/11/14/856831114.db2.gz GTMYXXFCQHITSZ-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(C=O)CC1)C(=O)OCC ZINC001119959025 856935615 /nfs/dbraw/zinc/93/56/15/856935615.db2.gz MAOKBKPNVGAYPR-LBPRGKRZSA-N 1 2 254.330 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1cccnc1 ZINC001323319902 912261539 /nfs/dbraw/zinc/26/15/39/912261539.db2.gz SYQRPMBPVMOIRW-GFCCVEGCSA-N 1 2 259.309 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1cccnc1 ZINC001323319902 912261557 /nfs/dbraw/zinc/26/15/57/912261557.db2.gz SYQRPMBPVMOIRW-GFCCVEGCSA-N 1 2 259.309 0.284 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1cccnc1 ZINC001323339459 912281723 /nfs/dbraw/zinc/28/17/23/912281723.db2.gz GXKXOTAIXIQCAY-CQSZACIVSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1cccnc1 ZINC001323339459 912281741 /nfs/dbraw/zinc/28/17/41/912281741.db2.gz GXKXOTAIXIQCAY-CQSZACIVSA-N 1 2 273.336 0.422 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001393277320 912482981 /nfs/dbraw/zinc/48/29/81/912482981.db2.gz JYJQKSSWRWFDON-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001393277320 912482994 /nfs/dbraw/zinc/48/29/94/912482994.db2.gz JYJQKSSWRWFDON-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001323979641 912609650 /nfs/dbraw/zinc/60/96/50/912609650.db2.gz QALNEBSHMYAIRM-OAHLLOKOSA-N 1 2 284.400 0.740 20 30 CCEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC001324747136 913012859 /nfs/dbraw/zinc/01/28/59/913012859.db2.gz YGPFDOXGVOJSDQ-RBSFLKMASA-N 1 2 295.383 0.776 20 30 CCEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC001324747136 913012881 /nfs/dbraw/zinc/01/28/81/913012881.db2.gz YGPFDOXGVOJSDQ-RBSFLKMASA-N 1 2 295.383 0.776 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@](C)(CNCC#N)C1 ZINC001324764837 913024431 /nfs/dbraw/zinc/02/44/31/913024431.db2.gz XRBZMMJJEFLNKF-HNNXBMFYSA-N 1 2 289.383 0.704 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCOCC(C)C)C1 ZINC001325186501 913265373 /nfs/dbraw/zinc/26/53/73/913265373.db2.gz ZLXZXSMOIBMJIV-UHFFFAOYSA-N 1 2 284.400 0.788 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](CCCOC(C)C)C1 ZINC001325206904 913279093 /nfs/dbraw/zinc/27/90/93/913279093.db2.gz AEWZLUGDIPIEPH-UHFFFAOYSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001325284746 913319428 /nfs/dbraw/zinc/31/94/28/913319428.db2.gz HFICDHMYJBMCAJ-CQSZACIVSA-N 1 2 294.395 0.522 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(OC)no1 ZINC001418540561 891818225 /nfs/dbraw/zinc/81/82/25/891818225.db2.gz MGWRIDJGTMQXLC-JTQLQIEISA-N 1 2 280.328 0.781 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(OC)no1 ZINC001418540561 891818233 /nfs/dbraw/zinc/81/82/33/891818233.db2.gz MGWRIDJGTMQXLC-JTQLQIEISA-N 1 2 280.328 0.781 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001408600115 891893379 /nfs/dbraw/zinc/89/33/79/891893379.db2.gz QJNAUHNCHWCORH-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001408600115 891893399 /nfs/dbraw/zinc/89/33/99/891893399.db2.gz QJNAUHNCHWCORH-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001481024245 892076044 /nfs/dbraw/zinc/07/60/44/892076044.db2.gz CUVGUEJGBVQHAA-CYBMUJFWSA-N 1 2 289.335 0.223 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001481024245 892076065 /nfs/dbraw/zinc/07/60/65/892076065.db2.gz CUVGUEJGBVQHAA-CYBMUJFWSA-N 1 2 289.335 0.223 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481093295 892157118 /nfs/dbraw/zinc/15/71/18/892157118.db2.gz WWHSNZUUQNVJBJ-VXGBXAGGSA-N 1 2 292.339 0.046 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481093295 892157129 /nfs/dbraw/zinc/15/71/29/892157129.db2.gz WWHSNZUUQNVJBJ-VXGBXAGGSA-N 1 2 292.339 0.046 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001353202058 892295076 /nfs/dbraw/zinc/29/50/76/892295076.db2.gz XMSUIJPQFHMVKQ-VXGBXAGGSA-N 1 2 268.357 0.952 20 30 CCEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(CC=C)CC1 ZINC001481466530 892711063 /nfs/dbraw/zinc/71/10/63/892711063.db2.gz FOGUODRQDOJFHM-UHFFFAOYSA-N 1 2 281.400 0.451 20 30 CCEDLO C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CSCC#N ZINC001268050764 892754754 /nfs/dbraw/zinc/75/47/54/892754754.db2.gz SXTCSXAMJNFRPE-SECBINFHSA-N 1 2 299.425 0.731 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481525837 892774868 /nfs/dbraw/zinc/77/48/68/892774868.db2.gz JRGIZXGBXODRSR-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481525837 892774877 /nfs/dbraw/zinc/77/48/77/892774877.db2.gz JRGIZXGBXODRSR-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001481586556 892873019 /nfs/dbraw/zinc/87/30/19/892873019.db2.gz FUCZTRDUTBNAIE-SMDDNHRTSA-N 1 2 297.399 0.293 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001481610529 892897329 /nfs/dbraw/zinc/89/73/29/892897329.db2.gz MYVIHAARPKFBHG-VIFPVBQESA-N 1 2 273.764 0.312 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC(C)(C)C)C1 ZINC001481611799 892901110 /nfs/dbraw/zinc/90/11/10/892901110.db2.gz HGKRCAOJJZKJHY-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC ZINC001481665342 892980791 /nfs/dbraw/zinc/98/07/91/892980791.db2.gz JDPTZAIMNXGVRB-SRVKXCTJSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC ZINC001481665342 892980792 /nfs/dbraw/zinc/98/07/92/892980792.db2.gz JDPTZAIMNXGVRB-SRVKXCTJSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001481668454 892986062 /nfs/dbraw/zinc/98/60/62/892986062.db2.gz JLKDHRUSDFHNNQ-HAAZFRHNSA-N 1 2 291.395 0.928 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001481668454 892986074 /nfs/dbraw/zinc/98/60/74/892986074.db2.gz JLKDHRUSDFHNNQ-HAAZFRHNSA-N 1 2 291.395 0.928 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)OCC ZINC001481702240 893045567 /nfs/dbraw/zinc/04/55/67/893045567.db2.gz LQANYCXFBNGIFF-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)OCC ZINC001481702240 893045585 /nfs/dbraw/zinc/04/55/85/893045585.db2.gz LQANYCXFBNGIFF-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO COCC#CC[N@H+](C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001482598923 894379779 /nfs/dbraw/zinc/37/97/79/894379779.db2.gz XDTVFDBFNXNILI-SNVBAGLBSA-N 1 2 298.280 0.927 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001482598923 894379792 /nfs/dbraw/zinc/37/97/92/894379792.db2.gz XDTVFDBFNXNILI-SNVBAGLBSA-N 1 2 298.280 0.927 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC12CCC2 ZINC001482631511 894432688 /nfs/dbraw/zinc/43/26/88/894432688.db2.gz YPXKUMDEGRCUET-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC12CCC2 ZINC001482631511 894432692 /nfs/dbraw/zinc/43/26/92/894432692.db2.gz YPXKUMDEGRCUET-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001396505746 913901766 /nfs/dbraw/zinc/90/17/66/913901766.db2.gz YVAMAWFCRYBHRY-VXGBXAGGSA-N 1 2 289.339 0.102 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001483125623 894966356 /nfs/dbraw/zinc/96/63/56/894966356.db2.gz AVPOTIAMXUKNOP-SECBINFHSA-N 1 2 262.313 0.386 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001483128207 894975010 /nfs/dbraw/zinc/97/50/10/894975010.db2.gz XDUBWNLGMDZTFZ-ZJUUUORDSA-N 1 2 280.328 0.011 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001396786365 913959916 /nfs/dbraw/zinc/95/99/16/913959916.db2.gz SJFSCYBNWXGKGE-NEPJUHHUSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483353900 895493558 /nfs/dbraw/zinc/49/35/58/895493558.db2.gz ZWWLIIMWWPCUDW-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483353900 895493563 /nfs/dbraw/zinc/49/35/63/895493563.db2.gz ZWWLIIMWWPCUDW-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001483381103 895522204 /nfs/dbraw/zinc/52/22/04/895522204.db2.gz SUTPQGDLGJQXPL-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001483381103 895522205 /nfs/dbraw/zinc/52/22/05/895522205.db2.gz SUTPQGDLGJQXPL-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)COC(C)C ZINC001483636738 895766134 /nfs/dbraw/zinc/76/61/34/895766134.db2.gz WDWUSXXPDNZMGX-ZDUSSCGKSA-N 1 2 268.357 0.252 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)COC(C)C ZINC001483636738 895766153 /nfs/dbraw/zinc/76/61/53/895766153.db2.gz WDWUSXXPDNZMGX-ZDUSSCGKSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001483652248 895802265 /nfs/dbraw/zinc/80/22/65/895802265.db2.gz GEWIAKUGMGSCET-DGCLKSJQSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001483652248 895802280 /nfs/dbraw/zinc/80/22/80/895802280.db2.gz GEWIAKUGMGSCET-DGCLKSJQSA-N 1 2 289.335 0.222 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)SC)C1 ZINC001484031908 896157694 /nfs/dbraw/zinc/15/76/94/896157694.db2.gz FYULXLALBAPOLG-SMDDNHRTSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)SC)C1 ZINC001484031908 896157697 /nfs/dbraw/zinc/15/76/97/896157697.db2.gz FYULXLALBAPOLG-SMDDNHRTSA-N 1 2 299.440 0.621 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001434374525 896279089 /nfs/dbraw/zinc/27/90/89/896279089.db2.gz BTDRCXRFWICOOR-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001434374525 896279102 /nfs/dbraw/zinc/27/91/02/896279102.db2.gz BTDRCXRFWICOOR-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001484276361 896305132 /nfs/dbraw/zinc/30/51/32/896305132.db2.gz ORRZAFNMXITFEP-NSHDSACASA-N 1 2 286.322 0.608 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001484587762 896481716 /nfs/dbraw/zinc/48/17/16/896481716.db2.gz QIMAYGBAQCEWQV-CABCVRRESA-N 1 2 294.395 0.786 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001484587762 896481721 /nfs/dbraw/zinc/48/17/21/896481721.db2.gz QIMAYGBAQCEWQV-CABCVRRESA-N 1 2 294.395 0.786 20 30 CCEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484802336 896603657 /nfs/dbraw/zinc/60/36/57/896603657.db2.gz WPHKDOSUQDIVOL-QWHCGFSZSA-N 1 2 282.384 0.683 20 30 CCEDLO N#CCNCC1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001485098917 896770214 /nfs/dbraw/zinc/77/02/14/896770214.db2.gz ZILJHZKHMVYHDE-UHFFFAOYSA-N 1 2 283.335 0.956 20 30 CCEDLO CN(CC(C)(C)CNCC#N)C(=O)CCc1[nH+]ccn1C ZINC001485255830 896899019 /nfs/dbraw/zinc/89/90/19/896899019.db2.gz BMKGTHRMMDKQNC-UHFFFAOYSA-N 1 2 291.399 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)on2)C1 ZINC001107825510 897327156 /nfs/dbraw/zinc/32/71/56/897327156.db2.gz XOBZVESVMLOLFA-OAHLLOKOSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)on2)C1 ZINC001107825510 897327164 /nfs/dbraw/zinc/32/71/64/897327164.db2.gz XOBZVESVMLOLFA-OAHLLOKOSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001077725118 897346328 /nfs/dbraw/zinc/34/63/28/897346328.db2.gz LRFYBEKGRUJBGC-HZPDHXFCSA-N 1 2 284.359 0.196 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001077725118 897346339 /nfs/dbraw/zinc/34/63/39/897346339.db2.gz LRFYBEKGRUJBGC-HZPDHXFCSA-N 1 2 284.359 0.196 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908370 897483538 /nfs/dbraw/zinc/48/35/38/897483538.db2.gz MUDCMWNEFGMZCT-GOEBONIOSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908370 897483544 /nfs/dbraw/zinc/48/35/44/897483544.db2.gz MUDCMWNEFGMZCT-GOEBONIOSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107948007 897551541 /nfs/dbraw/zinc/55/15/41/897551541.db2.gz JUYNCZPFXJMQHQ-GHMZBOCLSA-N 1 2 276.340 0.740 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccncn1 ZINC001032428956 897552344 /nfs/dbraw/zinc/55/23/44/897552344.db2.gz VUXBZXJCWYWKHV-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccncn1 ZINC001032428956 897552361 /nfs/dbraw/zinc/55/23/61/897552361.db2.gz VUXBZXJCWYWKHV-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCC2 ZINC001032465253 897604547 /nfs/dbraw/zinc/60/45/47/897604547.db2.gz BSPALTWPANNYFN-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCC2 ZINC001032465253 897604555 /nfs/dbraw/zinc/60/45/55/897604555.db2.gz BSPALTWPANNYFN-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001032483109 897633079 /nfs/dbraw/zinc/63/30/79/897633079.db2.gz QIJJMOUTWFKYQN-KBMXLJTQSA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001032483109 897633088 /nfs/dbraw/zinc/63/30/88/897633088.db2.gz QIJJMOUTWFKYQN-KBMXLJTQSA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OC)n1 ZINC001032543842 897726729 /nfs/dbraw/zinc/72/67/29/897726729.db2.gz RIEKWCZCPIAWLE-QWRGUYRKSA-N 1 2 275.308 0.605 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OC)n1 ZINC001032543842 897726735 /nfs/dbraw/zinc/72/67/35/897726735.db2.gz RIEKWCZCPIAWLE-QWRGUYRKSA-N 1 2 275.308 0.605 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001032594919 897793350 /nfs/dbraw/zinc/79/33/50/897793350.db2.gz XYMHURHAEQJARW-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001032594919 897793358 /nfs/dbraw/zinc/79/33/58/897793358.db2.gz XYMHURHAEQJARW-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C=CCOC(=O)c1c(N)nn(-c2ccc[nH+]c2N)c1N ZINC001212393989 897828678 /nfs/dbraw/zinc/82/86/78/897828678.db2.gz VMNSYAMPHCPIIM-UHFFFAOYSA-N 1 2 274.284 0.357 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC=C)nn1 ZINC001032675382 897920698 /nfs/dbraw/zinc/92/06/98/897920698.db2.gz UPKBMPRHCXYQLY-STQMWFEESA-N 1 2 285.351 0.386 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC=C)nn1 ZINC001032675382 897920707 /nfs/dbraw/zinc/92/07/07/897920707.db2.gz UPKBMPRHCXYQLY-STQMWFEESA-N 1 2 285.351 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#C)cn1 ZINC001032738342 898046989 /nfs/dbraw/zinc/04/69/89/898046989.db2.gz XOQUEYOAVDEHEX-KBPBESRZSA-N 1 2 265.316 0.595 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#C)cn1 ZINC001032738342 898047003 /nfs/dbraw/zinc/04/70/03/898047003.db2.gz XOQUEYOAVDEHEX-KBPBESRZSA-N 1 2 265.316 0.595 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C=C(C)C ZINC001272832905 898048341 /nfs/dbraw/zinc/04/83/41/898048341.db2.gz AOMBKEPZMGLARW-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C=C(C)C ZINC001272832905 898048347 /nfs/dbraw/zinc/04/83/47/898048347.db2.gz AOMBKEPZMGLARW-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OCC ZINC001272890129 898130970 /nfs/dbraw/zinc/13/09/70/898130970.db2.gz ZQDCSXMMMFPLDH-VXGBXAGGSA-N 1 2 264.325 0.248 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OCC ZINC001272890129 898130976 /nfs/dbraw/zinc/13/09/76/898130976.db2.gz ZQDCSXMMMFPLDH-VXGBXAGGSA-N 1 2 264.325 0.248 20 30 CCEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)COC)c2C1 ZINC001128143130 898176400 /nfs/dbraw/zinc/17/64/00/898176400.db2.gz YVBVSPJGGSEEPQ-UHFFFAOYSA-N 1 2 278.356 0.537 20 30 CCEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)COC)c2C1 ZINC001128143130 898176406 /nfs/dbraw/zinc/17/64/06/898176406.db2.gz YVBVSPJGGSEEPQ-UHFFFAOYSA-N 1 2 278.356 0.537 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001078287011 898331739 /nfs/dbraw/zinc/33/17/39/898331739.db2.gz PCYVNXQFYQTDQL-VXGBXAGGSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001078287011 898331763 /nfs/dbraw/zinc/33/17/63/898331763.db2.gz PCYVNXQFYQTDQL-VXGBXAGGSA-N 1 2 278.396 0.853 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486278953 898738500 /nfs/dbraw/zinc/73/85/00/898738500.db2.gz PKOVBCAIRCBWKC-JGVFFNPUSA-N 1 2 272.242 0.482 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486278953 898738512 /nfs/dbraw/zinc/73/85/12/898738512.db2.gz PKOVBCAIRCBWKC-JGVFFNPUSA-N 1 2 272.242 0.482 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001410012891 899095849 /nfs/dbraw/zinc/09/58/49/899095849.db2.gz NJAPHLBIMABTHJ-QWRGUYRKSA-N 1 2 280.372 0.109 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001410012891 899095836 /nfs/dbraw/zinc/09/58/36/899095836.db2.gz NJAPHLBIMABTHJ-QWRGUYRKSA-N 1 2 280.372 0.109 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)OCC)C2)CC1 ZINC001327081397 914359289 /nfs/dbraw/zinc/35/92/89/914359289.db2.gz IAIUDOAGINWYQQ-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCOCC)C2 ZINC001273958462 900741418 /nfs/dbraw/zinc/74/14/18/900741418.db2.gz CPWQLBPKNFVSQQ-UHFFFAOYSA-N 1 2 268.357 0.512 20 30 CCEDLO N#Cc1csc(C[NH2+]C2(C(N)=O)CCOCC2)n1 ZINC001327499285 914576654 /nfs/dbraw/zinc/57/66/54/914576654.db2.gz PAYNGLMWEAWWMK-UHFFFAOYSA-N 1 2 266.326 0.139 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001491415869 903566360 /nfs/dbraw/zinc/56/63/60/903566360.db2.gz UYIDDKYDZLBXQL-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CSCC#N)o1 ZINC001282095681 904411726 /nfs/dbraw/zinc/41/17/26/904411726.db2.gz MPVKUEDKRNAWJX-RKDXNWHRSA-N 1 2 297.384 0.618 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(F)cn2)C1 ZINC001282513999 904498935 /nfs/dbraw/zinc/49/89/35/904498935.db2.gz HWGGZRUUOVMTSS-UHFFFAOYSA-N 1 2 291.326 0.411 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)Cn2cncc2C)C1 ZINC001282724321 904530168 /nfs/dbraw/zinc/53/01/68/904530168.db2.gz GTUAUHBEOIUANW-ZDUSSCGKSA-N 1 2 274.368 0.651 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001282743883 904536707 /nfs/dbraw/zinc/53/67/07/904536707.db2.gz JIDMYCHVYRTJNI-OUCADQQQSA-N 1 2 293.411 0.771 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001398796753 914841150 /nfs/dbraw/zinc/84/11/50/914841150.db2.gz LTPMPXNFEQQNAC-JCIQBVFBSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001398796753 914841168 /nfs/dbraw/zinc/84/11/68/914841168.db2.gz LTPMPXNFEQQNAC-JCIQBVFBSA-N 1 2 288.355 0.082 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCOCCNC(=O)[C@H](C)C#N)o1 ZINC001283359763 904820019 /nfs/dbraw/zinc/82/00/19/904820019.db2.gz MPLWOITXGLKLJK-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCOCCNC(=O)[C@H](C)C#N)o1 ZINC001283359763 904820033 /nfs/dbraw/zinc/82/00/33/904820033.db2.gz MPLWOITXGLKLJK-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001283372590 904830537 /nfs/dbraw/zinc/83/05/37/904830537.db2.gz YFAKBWCYOAWAFQ-CYBMUJFWSA-N 1 2 290.367 0.909 20 30 CCEDLO C#CCC[N@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001283377162 904831795 /nfs/dbraw/zinc/83/17/95/904831795.db2.gz JCVJTNLLOCLMGF-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001283377162 904831807 /nfs/dbraw/zinc/83/18/07/904831807.db2.gz JCVJTNLLOCLMGF-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@H+](C)CCOCCNC(=O)[C@@H](F)C(F)(F)F ZINC001283377162 904831828 /nfs/dbraw/zinc/83/18/28/904831828.db2.gz JCVJTNLLOCLMGF-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H](F)C(F)(F)F ZINC001283377162 904831846 /nfs/dbraw/zinc/83/18/46/904831846.db2.gz JCVJTNLLOCLMGF-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2ccccc21 ZINC001283824542 905042572 /nfs/dbraw/zinc/04/25/72/905042572.db2.gz LTJAEKMGDNMFCF-LLVKDONJSA-N 1 2 286.335 0.267 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001283848663 905060779 /nfs/dbraw/zinc/06/07/79/905060779.db2.gz QSLXNTWVJALXRR-GFCCVEGCSA-N 1 2 276.340 0.566 20 30 CCEDLO C#CCCCC(=O)N(C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285812163 905767728 /nfs/dbraw/zinc/76/77/28/905767728.db2.gz HBFQKUTZJJRESI-GFCCVEGCSA-N 1 2 290.367 0.719 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001379031327 905934776 /nfs/dbraw/zinc/93/47/76/905934776.db2.gz CVJHLLAZLJSUDI-UHFFFAOYSA-N 1 2 287.791 0.607 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001379031327 905934785 /nfs/dbraw/zinc/93/47/85/905934785.db2.gz CVJHLLAZLJSUDI-UHFFFAOYSA-N 1 2 287.791 0.607 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001294737065 906628901 /nfs/dbraw/zinc/62/89/01/906628901.db2.gz BWVNWDHKGRTIEE-ZDUSSCGKSA-N 1 2 286.335 0.014 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001297727396 907109081 /nfs/dbraw/zinc/10/90/81/907109081.db2.gz SAAUCUCUZZPYLS-NSHDSACASA-N 1 2 278.356 0.787 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nnccc1C#N ZINC001337924663 921303133 /nfs/dbraw/zinc/30/31/33/921303133.db2.gz DIRXOEKZOOLQSS-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nnccc1C#N ZINC001337924663 921303135 /nfs/dbraw/zinc/30/31/35/921303135.db2.gz DIRXOEKZOOLQSS-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001298844566 907340344 /nfs/dbraw/zinc/34/03/44/907340344.db2.gz RXLZOZQNJXYAIT-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001298856696 907342565 /nfs/dbraw/zinc/34/25/65/907342565.db2.gz PCERWMXJRJPDQI-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001417196574 921352317 /nfs/dbraw/zinc/35/23/17/921352317.db2.gz JLOPWALSCLSRKT-LLVKDONJSA-N 1 2 289.339 0.198 20 30 CCEDLO C[C@H](Nc1cnccc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC001338084706 921362837 /nfs/dbraw/zinc/36/28/37/921362837.db2.gz QUSUYGLKMSISRQ-SMDDNHRTSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1cnccc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC001338084706 921362850 /nfs/dbraw/zinc/36/28/50/921362850.db2.gz QUSUYGLKMSISRQ-SMDDNHRTSA-N 1 2 259.357 0.999 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(C)c1C ZINC001492406908 907912914 /nfs/dbraw/zinc/91/29/14/907912914.db2.gz NKEDBWRVTNVVPV-UHFFFAOYSA-N 1 2 292.383 0.297 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn(C)c1C ZINC001492406908 907912928 /nfs/dbraw/zinc/91/29/28/907912928.db2.gz NKEDBWRVTNVVPV-UHFFFAOYSA-N 1 2 292.383 0.297 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001317465013 908255847 /nfs/dbraw/zinc/25/58/47/908255847.db2.gz GGMBNYOASMVQMR-UHFFFAOYSA-N 1 2 257.725 0.148 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001317465013 908255865 /nfs/dbraw/zinc/25/58/65/908255865.db2.gz GGMBNYOASMVQMR-UHFFFAOYSA-N 1 2 257.725 0.148 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001385085322 908344577 /nfs/dbraw/zinc/34/45/77/908344577.db2.gz ZYMXFDJYCHUCOV-TUAOUCFPSA-N 1 2 289.339 0.148 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001316975401 908708263 /nfs/dbraw/zinc/70/82/63/908708263.db2.gz YLSWJBGXKWYBHH-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001316975401 908708270 /nfs/dbraw/zinc/70/82/70/908708270.db2.gz YLSWJBGXKWYBHH-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)/C=C(\C)CC ZINC001317444020 909208909 /nfs/dbraw/zinc/20/89/09/909208909.db2.gz OEWBEWMEUODKFF-ZRDIBKRKSA-N 1 2 265.357 0.140 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)/C=C(\C)CC ZINC001317444020 909208922 /nfs/dbraw/zinc/20/89/22/909208922.db2.gz OEWBEWMEUODKFF-ZRDIBKRKSA-N 1 2 265.357 0.140 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC=CCC1 ZINC001317455780 909233297 /nfs/dbraw/zinc/23/32/97/909233297.db2.gz AKMIEEZKJQDJRN-AWEZNQCLSA-N 1 2 291.395 0.530 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC=CCC1 ZINC001317455780 909233309 /nfs/dbraw/zinc/23/33/09/909233309.db2.gz AKMIEEZKJQDJRN-AWEZNQCLSA-N 1 2 291.395 0.530 20 30 CCEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001317459169 909238794 /nfs/dbraw/zinc/23/87/94/909238794.db2.gz JOGYDZYLYMAMJQ-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001317459169 909238809 /nfs/dbraw/zinc/23/88/09/909238809.db2.gz JOGYDZYLYMAMJQ-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2nnc(C)o2)cn1 ZINC001317651622 909448092 /nfs/dbraw/zinc/44/80/92/909448092.db2.gz VZSZKDZYGMODTF-UHFFFAOYSA-N 1 2 299.334 0.616 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001317926728 909544602 /nfs/dbraw/zinc/54/46/02/909544602.db2.gz QHXQAADLTACVSF-GXTWGEPZSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001317926728 909544613 /nfs/dbraw/zinc/54/46/13/909544613.db2.gz QHXQAADLTACVSF-GXTWGEPZSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001317941281 909550700 /nfs/dbraw/zinc/55/07/00/909550700.db2.gz VPIFFQYUXYXVBC-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001317941281 909550715 /nfs/dbraw/zinc/55/07/15/909550715.db2.gz VPIFFQYUXYXVBC-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001318025731 909585724 /nfs/dbraw/zinc/58/57/24/909585724.db2.gz ZRXNCZVHDCOREQ-UHFFFAOYSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001318154875 909645293 /nfs/dbraw/zinc/64/52/93/909645293.db2.gz LXAYJENGSUXFFF-IACUBPJLSA-N 1 2 291.395 0.218 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1 ZINC001318184787 909657462 /nfs/dbraw/zinc/65/74/62/909657462.db2.gz OFEQKLKBDFDJRK-GJZGRUSLSA-N 1 2 285.347 0.630 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1 ZINC001318184787 909657475 /nfs/dbraw/zinc/65/74/75/909657475.db2.gz OFEQKLKBDFDJRK-GJZGRUSLSA-N 1 2 285.347 0.630 20 30 CCEDLO CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318273734 909686647 /nfs/dbraw/zinc/68/66/47/909686647.db2.gz WQEGWQCFGHVWIR-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318273734 909686658 /nfs/dbraw/zinc/68/66/58/909686658.db2.gz WQEGWQCFGHVWIR-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001389702944 910038904 /nfs/dbraw/zinc/03/89/04/910038904.db2.gz UFWRICUFIGBIHD-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001389702944 910038919 /nfs/dbraw/zinc/03/89/19/910038919.db2.gz UFWRICUFIGBIHD-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C#CC2CC2)o1 ZINC001319455386 910158303 /nfs/dbraw/zinc/15/83/03/910158303.db2.gz RRQMNOYTNMMPSO-NSHDSACASA-N 1 2 290.367 0.982 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC001319773726 910289597 /nfs/dbraw/zinc/28/95/97/910289597.db2.gz RTVVFAQGOYSXJQ-UHFFFAOYSA-N 1 2 289.335 0.306 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC001319773726 910289616 /nfs/dbraw/zinc/28/96/16/910289616.db2.gz RTVVFAQGOYSXJQ-UHFFFAOYSA-N 1 2 289.335 0.306 20 30 CCEDLO C=CCn1cnnc1SCC(=O)N1CC[NH+](C)CC1 ZINC001319997772 910408283 /nfs/dbraw/zinc/40/82/83/910408283.db2.gz YMIRYZVOWDBZRT-UHFFFAOYSA-N 1 2 281.385 0.330 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001391371866 911082274 /nfs/dbraw/zinc/08/22/74/911082274.db2.gz WLXDSNHZDFAULW-SNVBAGLBSA-N 1 2 289.763 0.676 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001391371866 911082295 /nfs/dbraw/zinc/08/22/95/911082295.db2.gz WLXDSNHZDFAULW-SNVBAGLBSA-N 1 2 289.763 0.676 20 30 CCEDLO N#CCC1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001321582522 911385145 /nfs/dbraw/zinc/38/51/45/911385145.db2.gz NCPIWERRDSRMFI-UHFFFAOYSA-N 1 2 289.339 0.152 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1csnn1 ZINC001321842113 911521137 /nfs/dbraw/zinc/52/11/37/911521137.db2.gz LRULMUYZJMCTLV-WDEREUQCSA-N 1 2 296.396 0.733 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001321855496 911534523 /nfs/dbraw/zinc/53/45/23/911534523.db2.gz LQDQWEAEYCWHDW-NSHDSACASA-N 1 2 275.356 0.380 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001392264655 911680941 /nfs/dbraw/zinc/68/09/41/911680941.db2.gz FZKGCJNYTUEYBL-STQMWFEESA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001392264655 911680954 /nfs/dbraw/zinc/68/09/54/911680954.db2.gz FZKGCJNYTUEYBL-STQMWFEESA-N 1 2 296.415 0.841 20 30 CCEDLO C[C@H](C[NH2+]Cc1nnc(C2CC2)o1)NC(=O)[C@@H](C)C#N ZINC001392463772 911831780 /nfs/dbraw/zinc/83/17/80/911831780.db2.gz COTFFBGQXRBLIS-DTWKUNHWSA-N 1 2 277.328 0.701 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001392688669 912088337 /nfs/dbraw/zinc/08/83/37/912088337.db2.gz YQWSTEYGPVUHMH-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001392688669 912088347 /nfs/dbraw/zinc/08/83/47/912088347.db2.gz YQWSTEYGPVUHMH-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)COC ZINC001323198952 912175912 /nfs/dbraw/zinc/17/59/12/912175912.db2.gz MCSQXYATZVDGNH-STQMWFEESA-N 1 2 268.357 0.109 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)COC ZINC001323198952 912175932 /nfs/dbraw/zinc/17/59/32/912175932.db2.gz MCSQXYATZVDGNH-STQMWFEESA-N 1 2 268.357 0.109 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C#N)n2C)CC1 ZINC001339426963 921725175 /nfs/dbraw/zinc/72/51/75/921725175.db2.gz MURGOTPVHZGXTH-UHFFFAOYSA-N 1 2 272.356 0.371 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001323209250 912184709 /nfs/dbraw/zinc/18/47/09/912184709.db2.gz FTQVMFRJVAOWIS-LBPRGKRZSA-N 1 2 289.335 0.241 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001323209250 912184724 /nfs/dbraw/zinc/18/47/24/912184724.db2.gz FTQVMFRJVAOWIS-LBPRGKRZSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCCN1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001339474541 921732012 /nfs/dbraw/zinc/73/20/12/921732012.db2.gz IVVYOMNCHNACSG-ZDUSSCGKSA-N 1 2 270.398 0.062 20 30 CCEDLO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001329531263 915990983 /nfs/dbraw/zinc/99/09/83/915990983.db2.gz JXUAAZMVPGSPOH-VIFPVBQESA-N 1 2 292.314 0.119 20 30 CCEDLO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001329531263 915991002 /nfs/dbraw/zinc/99/10/02/915991002.db2.gz JXUAAZMVPGSPOH-VIFPVBQESA-N 1 2 292.314 0.119 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401743108 916550328 /nfs/dbraw/zinc/55/03/28/916550328.db2.gz ZJBVKOSAYGRHAC-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401743108 916550338 /nfs/dbraw/zinc/55/03/38/916550338.db2.gz ZJBVKOSAYGRHAC-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001401752448 916568172 /nfs/dbraw/zinc/56/81/72/916568172.db2.gz OXWHFOZKSVUDGT-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001401752448 916568180 /nfs/dbraw/zinc/56/81/80/916568180.db2.gz OXWHFOZKSVUDGT-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@H]2CCS(=O)(=O)C2)nn1 ZINC001330782708 916860993 /nfs/dbraw/zinc/86/09/93/916860993.db2.gz BPWUSTBZUJFNGY-LBPRGKRZSA-N 1 2 296.396 0.216 20 30 CCEDLO Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C#CC2CC2)c(C)o1 ZINC001331712433 917539055 /nfs/dbraw/zinc/53/90/55/917539055.db2.gz OQDPVLJSDOLUCZ-CYBMUJFWSA-N 1 2 291.351 0.272 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CC2CC2)CCC[N@@H+]1CC(=O)NCC#N ZINC001332160171 917916991 /nfs/dbraw/zinc/91/69/91/917916991.db2.gz QMRWFULASLAMSZ-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CC2CC2)CCC[N@H+]1CC(=O)NCC#N ZINC001332160171 917917000 /nfs/dbraw/zinc/91/70/00/917917000.db2.gz QMRWFULASLAMSZ-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001404267115 918267474 /nfs/dbraw/zinc/26/74/74/918267474.db2.gz OROOYQHCURGQFE-LLVKDONJSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001404267115 918267481 /nfs/dbraw/zinc/26/74/81/918267481.db2.gz OROOYQHCURGQFE-LLVKDONJSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001404701410 918430258 /nfs/dbraw/zinc/43/02/58/918430258.db2.gz PBFOAPBBMNUTDP-NEPJUHHUSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001404701410 918430263 /nfs/dbraw/zinc/43/02/63/918430263.db2.gz PBFOAPBBMNUTDP-NEPJUHHUSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001404877362 918503359 /nfs/dbraw/zinc/50/33/59/918503359.db2.gz RANPQTDKCPENDZ-SNVBAGLBSA-N 1 2 276.315 0.928 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC001334186362 919407029 /nfs/dbraw/zinc/40/70/29/919407029.db2.gz HFTXPAXNRJCYRO-UHFFFAOYSA-N 1 2 293.289 0.031 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC001334186362 919407041 /nfs/dbraw/zinc/40/70/41/919407041.db2.gz HFTXPAXNRJCYRO-UHFFFAOYSA-N 1 2 293.289 0.031 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001335063605 919926834 /nfs/dbraw/zinc/92/68/34/919926834.db2.gz DOPSNQJSSRNTKG-NSHDSACASA-N 1 2 261.325 0.575 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001335063605 919926843 /nfs/dbraw/zinc/92/68/43/919926843.db2.gz DOPSNQJSSRNTKG-NSHDSACASA-N 1 2 261.325 0.575 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)OC)o2)C1 ZINC001335181124 919999130 /nfs/dbraw/zinc/99/91/30/919999130.db2.gz NKWIDAKCKXLXAR-LLVKDONJSA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)OC)o2)C1 ZINC001335181124 919999143 /nfs/dbraw/zinc/99/91/43/919999143.db2.gz NKWIDAKCKXLXAR-LLVKDONJSA-N 1 2 290.319 0.894 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001408226335 920101578 /nfs/dbraw/zinc/10/15/78/920101578.db2.gz BDJBWJQJIGYUNS-QWRGUYRKSA-N 1 2 299.334 0.728 20 30 CCEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)CC1(C#N)CC1 ZINC001413952417 920223417 /nfs/dbraw/zinc/22/34/17/920223417.db2.gz IWQZZLHHGITJRF-LLVKDONJSA-N 1 2 275.356 0.711 20 30 CCEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)CC1(C#N)CC1 ZINC001413952417 920223428 /nfs/dbraw/zinc/22/34/28/920223428.db2.gz IWQZZLHHGITJRF-LLVKDONJSA-N 1 2 275.356 0.711 20 30 CCEDLO C=C(Cl)C[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001336269203 920696116 /nfs/dbraw/zinc/69/61/16/920696116.db2.gz AWSYEBKCKFEEQD-IUCAKERBSA-N 1 2 261.705 0.633 20 30 CCEDLO CCCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H](C)C#N ZINC001415823413 920837229 /nfs/dbraw/zinc/83/72/29/920837229.db2.gz AXPYGYHCEGGHMD-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nnccc1C#N ZINC001339823168 921841172 /nfs/dbraw/zinc/84/11/72/921841172.db2.gz JABSKIWFQRBBSP-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC#N ZINC001340035838 921926513 /nfs/dbraw/zinc/92/65/13/921926513.db2.gz UZHFYBURCQHCTH-CYBMUJFWSA-N 1 2 298.387 0.015 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001419648444 922968611 /nfs/dbraw/zinc/96/86/11/922968611.db2.gz LFKCLDVLPLLXIW-NXEZZACHSA-N 1 2 294.359 0.232 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421086040 924141632 /nfs/dbraw/zinc/14/16/32/924141632.db2.gz YZYQMGGSYCORDT-SNVBAGLBSA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421086040 924141638 /nfs/dbraw/zinc/14/16/38/924141638.db2.gz YZYQMGGSYCORDT-SNVBAGLBSA-N 1 2 272.312 0.353 20 30 CCEDLO C=C(CC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001346423563 924203906 /nfs/dbraw/zinc/20/39/06/924203906.db2.gz CSOKJTULTZWPTH-UHFFFAOYSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350648251 925247110 /nfs/dbraw/zinc/24/71/10/925247110.db2.gz CBLRJDMBDJMIMT-GFCCVEGCSA-N 1 2 290.367 0.978 20 30 CCEDLO C=CCCC(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001350762775 925272103 /nfs/dbraw/zinc/27/21/03/925272103.db2.gz FUJFNTLZNGFYHI-ZDUSSCGKSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001351142557 925371130 /nfs/dbraw/zinc/37/11/30/925371130.db2.gz RGGSLTURCMUXHG-ZDUSSCGKSA-N 1 2 283.335 0.592 20 30 CCEDLO C=CCN(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001352772738 925638473 /nfs/dbraw/zinc/63/84/73/925638473.db2.gz BSWGATHRJUJDDY-GFCCVEGCSA-N 1 2 279.388 0.877 20 30 CCEDLO C=CCN(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001352772738 925638476 /nfs/dbraw/zinc/63/84/76/925638476.db2.gz BSWGATHRJUJDDY-GFCCVEGCSA-N 1 2 279.388 0.877 20 30 CCEDLO CC(C)(CNC(=O)[C@@H]1C[C@@H]1C#N)[NH+]1CCOCC1 ZINC001354274474 926067148 /nfs/dbraw/zinc/06/71/48/926067148.db2.gz JYEPRHSDAAMIEH-GHMZBOCLSA-N 1 2 251.330 0.373 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C#N ZINC001300612503 926109833 /nfs/dbraw/zinc/10/98/33/926109833.db2.gz AZYNJCDUKUFKRD-WRWGMCAJSA-N 1 2 251.330 0.371 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C#N ZINC001300612503 926109838 /nfs/dbraw/zinc/10/98/38/926109838.db2.gz AZYNJCDUKUFKRD-WRWGMCAJSA-N 1 2 251.330 0.371 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001356789858 926439907 /nfs/dbraw/zinc/43/99/07/926439907.db2.gz HRGPRJMKURPFCB-HNNXBMFYSA-N 1 2 290.367 0.812 20 30 CCEDLO C=CCCC(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001358721675 926804856 /nfs/dbraw/zinc/80/48/56/926804856.db2.gz BRPDLWCNDZRHHM-UHFFFAOYSA-N 1 2 276.340 0.519 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001421817446 926926147 /nfs/dbraw/zinc/92/61/47/926926147.db2.gz FTUASYNVAJSZKB-QWRGUYRKSA-N 1 2 277.328 0.700 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001421817446 926926157 /nfs/dbraw/zinc/92/61/57/926926157.db2.gz FTUASYNVAJSZKB-QWRGUYRKSA-N 1 2 277.328 0.700 20 30 CCEDLO CC(C)(C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362269925 927805608 /nfs/dbraw/zinc/80/56/08/927805608.db2.gz MVJHVHDJMPNUJQ-LLVKDONJSA-N 1 2 279.340 0.432 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)C#N)n1 ZINC001424062832 928080418 /nfs/dbraw/zinc/08/04/18/928080418.db2.gz GFNCILVIISBTMM-ZJUUUORDSA-N 1 2 295.343 0.009 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001424277145 928145815 /nfs/dbraw/zinc/14/58/15/928145815.db2.gz XHEHKYHXIPNATE-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001424277145 928145820 /nfs/dbraw/zinc/14/58/20/928145820.db2.gz XHEHKYHXIPNATE-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)CNc2ccc(C#N)cn2)c1 ZINC001362997633 928743039 /nfs/dbraw/zinc/74/30/39/928743039.db2.gz CONVYKGRDPROPK-UHFFFAOYSA-N 1 2 284.323 0.458 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001363206775 928975990 /nfs/dbraw/zinc/97/59/90/928975990.db2.gz OUCYFZJCDLZBGA-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001363206775 928975999 /nfs/dbraw/zinc/97/59/99/928975999.db2.gz OUCYFZJCDLZBGA-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001427980143 929154278 /nfs/dbraw/zinc/15/42/78/929154278.db2.gz DKCNNRADWZLRQR-MWLCHTKSSA-N 1 2 289.339 0.123 20 30 CCEDLO CCn1ccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC001363429827 929219091 /nfs/dbraw/zinc/21/90/91/929219091.db2.gz UKHQHIZSWHCPHB-UHFFFAOYSA-N 1 2 291.399 0.951 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444002123 929764042 /nfs/dbraw/zinc/76/40/42/929764042.db2.gz ZSLYTVJQWIQAQC-VHSXEESVSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001373393751 930172904 /nfs/dbraw/zinc/17/29/04/930172904.db2.gz TVMUKQMXKURJOG-NEPJUHHUSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001373393751 930172910 /nfs/dbraw/zinc/17/29/10/930172910.db2.gz TVMUKQMXKURJOG-NEPJUHHUSA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2nc[nH]n2)C1 ZINC001446544246 930429891 /nfs/dbraw/zinc/42/98/91/930429891.db2.gz AWPFRFGJPSBADA-LBPRGKRZSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nc[nH]n2)C1 ZINC001446544246 930429893 /nfs/dbraw/zinc/42/98/93/930429893.db2.gz AWPFRFGJPSBADA-LBPRGKRZSA-N 1 2 283.763 0.680 20 30 CCEDLO CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@H](C)C#N ZINC001375119252 930799528 /nfs/dbraw/zinc/79/95/28/930799528.db2.gz FBBZLGKSRHODFH-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@H](C)C#N ZINC001375119252 930799537 /nfs/dbraw/zinc/79/95/37/930799537.db2.gz FBBZLGKSRHODFH-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001375652694 930943870 /nfs/dbraw/zinc/94/38/70/930943870.db2.gz VLVKJVWDFFREDH-AEJSXWLSSA-N 1 2 288.779 0.375 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001375652694 930943873 /nfs/dbraw/zinc/94/38/73/930943873.db2.gz VLVKJVWDFFREDH-AEJSXWLSSA-N 1 2 288.779 0.375 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2coc(C)n2)C1 ZINC001376035899 931030133 /nfs/dbraw/zinc/03/01/33/931030133.db2.gz LQGLLSSPHVTDES-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2coc(C)n2)C1 ZINC001376035899 931030143 /nfs/dbraw/zinc/03/01/43/931030143.db2.gz LQGLLSSPHVTDES-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001588669757 983813990 /nfs/dbraw/zinc/81/39/90/983813990.db2.gz OSHPBJFICVCNLZ-GFCCVEGCSA-N 1 2 277.324 0.851 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600418628 361955726 /nfs/dbraw/zinc/95/57/26/361955726.db2.gz DNZINLJBPMZXBK-CYBMUJFWSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600418628 361955733 /nfs/dbraw/zinc/95/57/33/361955733.db2.gz DNZINLJBPMZXBK-CYBMUJFWSA-N 1 2 273.336 0.927 20 30 CCEDLO C[N@H+](CCOc1ccccc1C#N)CCS(C)(=O)=O ZINC000102771222 349684348 /nfs/dbraw/zinc/68/43/48/349684348.db2.gz FPRFMRZPILVQAG-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO C[N@@H+](CCOc1ccccc1C#N)CCS(C)(=O)=O ZINC000102771222 349684349 /nfs/dbraw/zinc/68/43/49/349684349.db2.gz FPRFMRZPILVQAG-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000110657024 349761530 /nfs/dbraw/zinc/76/15/30/349761530.db2.gz SLPNSWKMFQKSBN-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000110657024 349761532 /nfs/dbraw/zinc/76/15/32/349761532.db2.gz SLPNSWKMFQKSBN-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO CN1C(=O)C[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888568 362088964 /nfs/dbraw/zinc/08/89/64/362088964.db2.gz ZWAFHDTXEDRTFA-AWEZNQCLSA-N 1 2 283.331 0.868 20 30 CCEDLO CN1C(=O)C[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888568 362088967 /nfs/dbraw/zinc/08/89/67/362088967.db2.gz ZWAFHDTXEDRTFA-AWEZNQCLSA-N 1 2 283.331 0.868 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617719510 365724857 /nfs/dbraw/zinc/72/48/57/365724857.db2.gz OASCRRHEIVMAMK-GVXVVHGQSA-N 1 2 256.346 0.149 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617719510 365724859 /nfs/dbraw/zinc/72/48/59/365724859.db2.gz OASCRRHEIVMAMK-GVXVVHGQSA-N 1 2 256.346 0.149 20 30 CCEDLO N#CCC1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000601377659 362248680 /nfs/dbraw/zinc/24/86/80/362248680.db2.gz HOIZWTGBABUTTQ-UHFFFAOYSA-N 1 2 254.315 0.523 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(F)cn3)C[C@H]21 ZINC000330135523 529790906 /nfs/dbraw/zinc/79/09/06/529790906.db2.gz HFGBNZNWAUMECD-MNOVXSKESA-N 1 2 280.303 0.781 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(F)cn3)C[C@H]21 ZINC000330135523 529790907 /nfs/dbraw/zinc/79/09/07/529790907.db2.gz HFGBNZNWAUMECD-MNOVXSKESA-N 1 2 280.303 0.781 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330268425 529819423 /nfs/dbraw/zinc/81/94/23/529819423.db2.gz IPZJVGXACCNBJF-SNVBAGLBSA-N 1 2 275.374 0.071 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330268425 529819424 /nfs/dbraw/zinc/81/94/24/529819424.db2.gz IPZJVGXACCNBJF-SNVBAGLBSA-N 1 2 275.374 0.071 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000332031041 529824630 /nfs/dbraw/zinc/82/46/30/529824630.db2.gz VYQFWOQZJQOIIL-LLVKDONJSA-N 1 2 294.355 0.375 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000332031041 529824631 /nfs/dbraw/zinc/82/46/31/529824631.db2.gz VYQFWOQZJQOIIL-LLVKDONJSA-N 1 2 294.355 0.375 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)nc1 ZINC000115358263 349853462 /nfs/dbraw/zinc/85/34/62/349853462.db2.gz KQRONXVAUXNSQZ-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO CCC[N@@H+]1CCC[C@H]1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000601678931 362353101 /nfs/dbraw/zinc/35/31/01/362353101.db2.gz HYSVVUXQGKEYQD-NSHDSACASA-N 1 2 261.329 0.825 20 30 CCEDLO CCC[N@H+]1CCC[C@H]1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000601678931 362353105 /nfs/dbraw/zinc/35/31/05/362353105.db2.gz HYSVVUXQGKEYQD-NSHDSACASA-N 1 2 261.329 0.825 20 30 CCEDLO CN(C[C@H]1CCC[N@H+](CC2(C#N)CC2)C1)S(C)(=O)=O ZINC000331383229 529965910 /nfs/dbraw/zinc/96/59/10/529965910.db2.gz KBVIBLZYNMHKAW-GFCCVEGCSA-N 1 2 285.413 0.894 20 30 CCEDLO CN(C[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1)S(C)(=O)=O ZINC000331383229 529965911 /nfs/dbraw/zinc/96/59/11/529965911.db2.gz KBVIBLZYNMHKAW-GFCCVEGCSA-N 1 2 285.413 0.894 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601892959 362419150 /nfs/dbraw/zinc/41/91/50/362419150.db2.gz IPEOWZHPCCVPFJ-UHFFFAOYSA-N 1 2 287.367 0.713 20 30 CCEDLO Cc1ccc(C#N)cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000305355365 201753544 /nfs/dbraw/zinc/75/35/44/201753544.db2.gz XKLRSVUUPLNTPY-AWEZNQCLSA-N 1 2 276.336 0.939 20 30 CCEDLO C[N@@H+]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000330156727 530053086 /nfs/dbraw/zinc/05/30/86/530053086.db2.gz YXUMSVJFGXMCMG-LLVKDONJSA-N 1 2 289.401 0.115 20 30 CCEDLO C[N@H+]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000330156727 530053087 /nfs/dbraw/zinc/05/30/87/530053087.db2.gz YXUMSVJFGXMCMG-LLVKDONJSA-N 1 2 289.401 0.115 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000330145962 282367797 /nfs/dbraw/zinc/36/77/97/282367797.db2.gz HPXYPBOURUXNOP-VXGBXAGGSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000330145962 282367799 /nfs/dbraw/zinc/36/77/99/282367799.db2.gz HPXYPBOURUXNOP-VXGBXAGGSA-N 1 2 277.328 0.345 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000602285970 362575015 /nfs/dbraw/zinc/57/50/15/362575015.db2.gz DXORZFQKXHUVRW-SNVBAGLBSA-N 1 2 254.334 0.166 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000602285970 362575022 /nfs/dbraw/zinc/57/50/22/362575022.db2.gz DXORZFQKXHUVRW-SNVBAGLBSA-N 1 2 254.334 0.166 20 30 CCEDLO CCc1nocc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331269 362589610 /nfs/dbraw/zinc/58/96/10/362589610.db2.gz BNEASSGHEDYWBP-GFCCVEGCSA-N 1 2 250.302 0.811 20 30 CCEDLO N#CCC1C[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000602709333 362762818 /nfs/dbraw/zinc/76/28/18/362762818.db2.gz QRBWKOAFWGLTMB-UHFFFAOYSA-N 1 2 265.338 0.679 20 30 CCEDLO COc1nccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602849058 362835975 /nfs/dbraw/zinc/83/59/75/362835975.db2.gz JPNRZOGMAYIPPH-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO COc1nccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602849058 362835978 /nfs/dbraw/zinc/83/59/78/362835978.db2.gz JPNRZOGMAYIPPH-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO C[C@H]1C[NH+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602849750 362837916 /nfs/dbraw/zinc/83/79/16/362837916.db2.gz NJFGNZYCMIAGQW-QWRGUYRKSA-N 1 2 292.343 0.746 20 30 CCEDLO COc1cncc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602850124 362837963 /nfs/dbraw/zinc/83/79/63/362837963.db2.gz OVZQJOBQOAVFGP-RYUDHWBXSA-N 1 2 275.356 0.903 20 30 CCEDLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857227 362843742 /nfs/dbraw/zinc/84/37/42/362843742.db2.gz PYAFODOYZNRLTO-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857227 362843746 /nfs/dbraw/zinc/84/37/46/362843746.db2.gz PYAFODOYZNRLTO-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000602864789 362849204 /nfs/dbraw/zinc/84/92/04/362849204.db2.gz JOKHUCBUXBHGRM-VXGBXAGGSA-N 1 2 260.345 0.615 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H](C)[NH+]1C ZINC000312642268 137077389 /nfs/dbraw/zinc/07/73/89/137077389.db2.gz ILFOKJDOVXFFQC-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000027566785 348100651 /nfs/dbraw/zinc/10/06/51/348100651.db2.gz QCIWHGKSLZWGRZ-DOMZBBRYSA-N 1 2 292.383 0.347 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000027566785 348100652 /nfs/dbraw/zinc/10/06/52/348100652.db2.gz QCIWHGKSLZWGRZ-DOMZBBRYSA-N 1 2 292.383 0.347 20 30 CCEDLO CN(C)C(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000023289413 348084409 /nfs/dbraw/zinc/08/44/09/348084409.db2.gz LGEGHIOJXGXVPJ-UHFFFAOYSA-N 1 2 286.379 0.764 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000023289413 348084413 /nfs/dbraw/zinc/08/44/13/348084413.db2.gz LGEGHIOJXGXVPJ-UHFFFAOYSA-N 1 2 286.379 0.764 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[NH+]2CCOCC2)c1O ZINC000036301160 348166001 /nfs/dbraw/zinc/16/60/01/348166001.db2.gz YUMKJNBONXLSSI-OQLLNIDSSA-N 1 2 279.340 0.339 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000046059897 348349079 /nfs/dbraw/zinc/34/90/79/348349079.db2.gz HLPAHLHDNDTBKA-CYBMUJFWSA-N 1 2 296.415 0.757 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCC[C@H]1C#N ZINC000602980110 362920152 /nfs/dbraw/zinc/92/01/52/362920152.db2.gz LXMLBCOPTNFGDI-NWDGAFQWSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCC[C@H]1C#N ZINC000602980110 362920156 /nfs/dbraw/zinc/92/01/56/362920156.db2.gz LXMLBCOPTNFGDI-NWDGAFQWSA-N 1 2 271.386 0.646 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984184 362921931 /nfs/dbraw/zinc/92/19/31/362921931.db2.gz ARDCCMARMUJXQH-UHFFFAOYSA-N 1 2 252.314 0.459 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602984184 362921932 /nfs/dbraw/zinc/92/19/32/362921932.db2.gz ARDCCMARMUJXQH-UHFFFAOYSA-N 1 2 252.314 0.459 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000347585492 137343851 /nfs/dbraw/zinc/34/38/51/137343851.db2.gz MGTBHHUEQVWDRY-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000347585492 137343852 /nfs/dbraw/zinc/34/38/52/137343852.db2.gz MGTBHHUEQVWDRY-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000057028345 348600178 /nfs/dbraw/zinc/60/01/78/348600178.db2.gz RBEQDBJOBCPCOP-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000066496108 348745975 /nfs/dbraw/zinc/74/59/75/348745975.db2.gz FHGAYDXYRMQVRV-GFCCVEGCSA-N 1 2 292.335 0.839 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066560593 348747403 /nfs/dbraw/zinc/74/74/03/348747403.db2.gz OKOFLAGERHHTTF-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066560593 348747407 /nfs/dbraw/zinc/74/74/07/348747407.db2.gz OKOFLAGERHHTTF-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072982789 348940172 /nfs/dbraw/zinc/94/01/72/348940172.db2.gz BDPFINARKGTLLY-NSHDSACASA-N 1 2 293.371 0.735 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000072982789 348940173 /nfs/dbraw/zinc/94/01/73/348940173.db2.gz BDPFINARKGTLLY-NSHDSACASA-N 1 2 293.371 0.735 20 30 CCEDLO CCOCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000076876091 349094102 /nfs/dbraw/zinc/09/41/02/349094102.db2.gz ACJILZRIIRXCTG-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cn1 ZINC000081018452 349240827 /nfs/dbraw/zinc/24/08/27/349240827.db2.gz FSNFKXIFCKNSRB-CYBMUJFWSA-N 1 2 276.340 0.083 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1C[N@H+](C)CCO1 ZINC000125998612 350135858 /nfs/dbraw/zinc/13/58/58/350135858.db2.gz SHGDPCZOKNXANX-NEPJUHHUSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000125998612 350135860 /nfs/dbraw/zinc/13/58/60/350135860.db2.gz SHGDPCZOKNXANX-NEPJUHHUSA-N 1 2 289.401 0.319 20 30 CCEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000129590731 350218030 /nfs/dbraw/zinc/21/80/30/350218030.db2.gz NUQLNFUIFXGWLV-UHFFFAOYSA-N 1 2 298.346 0.803 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271351191 191090356 /nfs/dbraw/zinc/09/03/56/191090356.db2.gz DZAJPJJJRXTGSI-UHFFFAOYSA-N 1 2 291.311 0.109 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000132834222 350317562 /nfs/dbraw/zinc/31/75/62/350317562.db2.gz KFPVICIBYITFFP-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110678850 186312464 /nfs/dbraw/zinc/31/24/64/186312464.db2.gz OSLCOGBVVJBEKX-KGLIPLIRSA-N 1 2 273.336 0.802 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110678850 186312466 /nfs/dbraw/zinc/31/24/66/186312466.db2.gz OSLCOGBVVJBEKX-KGLIPLIRSA-N 1 2 273.336 0.802 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCSC)CC1 ZINC000170899060 350872119 /nfs/dbraw/zinc/87/21/19/350872119.db2.gz FCXGGTIJWIMIBF-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCSC)CC1 ZINC000170899060 350872121 /nfs/dbraw/zinc/87/21/21/350872121.db2.gz FCXGGTIJWIMIBF-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181285548 351310750 /nfs/dbraw/zinc/31/07/50/351310750.db2.gz NTTAHAVNKRNPGA-NSHDSACASA-N 1 2 275.356 0.252 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CSC)nn1 ZINC000603260624 363030176 /nfs/dbraw/zinc/03/01/76/363030176.db2.gz PAGMEZLWPXQDDF-NSHDSACASA-N 1 2 254.359 0.115 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186505601 351499885 /nfs/dbraw/zinc/49/98/85/351499885.db2.gz WUUGUWFKCFFOSD-STQMWFEESA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186505601 351499890 /nfs/dbraw/zinc/49/98/90/351499890.db2.gz WUUGUWFKCFFOSD-STQMWFEESA-N 1 2 250.273 0.625 20 30 CCEDLO N#C[C@H]1CSCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000603305049 363056038 /nfs/dbraw/zinc/05/60/38/363056038.db2.gz WQWRZJKRZMRESC-JTQLQIEISA-N 1 2 286.382 0.154 20 30 CCEDLO CC1(C#N)CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603325447 363065521 /nfs/dbraw/zinc/06/55/21/363065521.db2.gz KORURJUQNIGWSI-UHFFFAOYSA-N 1 2 254.315 0.058 20 30 CCEDLO CC(C)(CC#N)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603360619 363087433 /nfs/dbraw/zinc/08/74/33/363087433.db2.gz XEJZFWMGNCINJW-UHFFFAOYSA-N 1 2 270.358 0.742 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc1 ZINC000198358675 351921338 /nfs/dbraw/zinc/92/13/38/351921338.db2.gz TVPQHZOOWCKXNI-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1OC ZINC000234799688 352171372 /nfs/dbraw/zinc/17/13/72/352171372.db2.gz IGGCTHQIIFRTCH-OKILXGFUSA-N 1 2 289.335 0.842 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1OC ZINC000234799688 352171375 /nfs/dbraw/zinc/17/13/75/352171375.db2.gz IGGCTHQIIFRTCH-OKILXGFUSA-N 1 2 289.335 0.842 20 30 CCEDLO CNC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000267860643 352794167 /nfs/dbraw/zinc/79/41/67/352794167.db2.gz SIYXYEYPHOMINN-UHFFFAOYSA-N 1 2 288.351 0.894 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269641147 352858074 /nfs/dbraw/zinc/85/80/74/352858074.db2.gz WGFWFYYLSJXTAZ-AWEZNQCLSA-N 1 2 285.347 0.994 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269641147 352858076 /nfs/dbraw/zinc/85/80/76/352858076.db2.gz WGFWFYYLSJXTAZ-AWEZNQCLSA-N 1 2 285.347 0.994 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000271168251 353028897 /nfs/dbraw/zinc/02/88/97/353028897.db2.gz IFDPVVCFCQBSIP-OAHLLOKOSA-N 1 2 261.321 0.892 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000271168251 353028900 /nfs/dbraw/zinc/02/89/00/353028900.db2.gz IFDPVVCFCQBSIP-OAHLLOKOSA-N 1 2 261.321 0.892 20 30 CCEDLO C=CCC(CC=C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000270975035 353009935 /nfs/dbraw/zinc/00/99/35/353009935.db2.gz IOILLLUHLURNFD-UHFFFAOYSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCC(CC=C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000270975035 353009938 /nfs/dbraw/zinc/00/99/38/353009938.db2.gz IOILLLUHLURNFD-UHFFFAOYSA-N 1 2 279.384 0.693 20 30 CCEDLO C=C(C)CC[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000274757484 353159569 /nfs/dbraw/zinc/15/95/69/353159569.db2.gz CTWKMXXOOAGGJK-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(C)CC[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000274757484 353159571 /nfs/dbraw/zinc/15/95/71/353159571.db2.gz CTWKMXXOOAGGJK-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000157509263 188322064 /nfs/dbraw/zinc/32/20/64/188322064.db2.gz AOYFUTNSNJQVSB-UHFFFAOYSA-N 1 2 276.340 0.562 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC(=O)NC)n1 ZINC000279752416 353313599 /nfs/dbraw/zinc/31/35/99/353313599.db2.gz QGGRNEORLSSFIC-LLVKDONJSA-N 1 2 291.355 0.182 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC(=O)NC)n1 ZINC000279752416 353313601 /nfs/dbraw/zinc/31/36/01/353313601.db2.gz QGGRNEORLSSFIC-LLVKDONJSA-N 1 2 291.355 0.182 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCO3)n2CC)CC1 ZINC000295894054 353923251 /nfs/dbraw/zinc/92/32/51/353923251.db2.gz HZBCIWQVBNDFDH-ZDUSSCGKSA-N 1 2 289.383 0.905 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189179 353935812 /nfs/dbraw/zinc/93/58/12/353935812.db2.gz MDQPZQUMOSDSQD-MFKMUULPSA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189179 353935817 /nfs/dbraw/zinc/93/58/17/353935817.db2.gz MDQPZQUMOSDSQD-MFKMUULPSA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209315 353936890 /nfs/dbraw/zinc/93/68/90/353936890.db2.gz NGZPGARUXVGEKA-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209315 353936892 /nfs/dbraw/zinc/93/68/92/353936892.db2.gz NGZPGARUXVGEKA-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330556199 354410529 /nfs/dbraw/zinc/41/05/29/354410529.db2.gz ZJKYDEUNBVTVOR-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330556199 354410531 /nfs/dbraw/zinc/41/05/31/354410531.db2.gz ZJKYDEUNBVTVOR-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO N#C[C@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000332904369 354738410 /nfs/dbraw/zinc/73/84/10/354738410.db2.gz RLBBBSMLOSQSKJ-ZJUUUORDSA-N 1 2 275.312 0.201 20 30 CCEDLO N#C[C@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000332904369 354738411 /nfs/dbraw/zinc/73/84/11/354738411.db2.gz RLBBBSMLOSQSKJ-ZJUUUORDSA-N 1 2 275.312 0.201 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000608104345 363407116 /nfs/dbraw/zinc/40/71/16/363407116.db2.gz PLVNNJZRFTVBHH-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000558166575 291050178 /nfs/dbraw/zinc/05/01/78/291050178.db2.gz MQDLMCKUZHLUHF-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000558166575 291050182 /nfs/dbraw/zinc/05/01/82/291050182.db2.gz MQDLMCKUZHLUHF-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338624563 355381802 /nfs/dbraw/zinc/38/18/02/355381802.db2.gz KSTYDBVDHQSQIX-GFCCVEGCSA-N 1 2 257.309 0.155 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338624563 355381806 /nfs/dbraw/zinc/38/18/06/355381806.db2.gz KSTYDBVDHQSQIX-GFCCVEGCSA-N 1 2 257.309 0.155 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000425367270 235289028 /nfs/dbraw/zinc/28/90/28/235289028.db2.gz SDATYVJNTDTVLE-LLVKDONJSA-N 1 2 298.350 0.828 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000425367270 235289029 /nfs/dbraw/zinc/28/90/29/235289029.db2.gz SDATYVJNTDTVLE-LLVKDONJSA-N 1 2 298.350 0.828 20 30 CCEDLO Cc1cc(NCCCN2C(=O)CNC2=O)c(C#N)c[nH+]1 ZINC000425233569 235275335 /nfs/dbraw/zinc/27/53/35/235275335.db2.gz WCUACXRGLRKRTP-UHFFFAOYSA-N 1 2 273.296 0.037 20 30 CCEDLO Cc1cc(NC[C@]2(CCO)CCOC2)c(C#N)c[nH+]1 ZINC000425236285 235275371 /nfs/dbraw/zinc/27/53/71/235275371.db2.gz JMLOTBOBJGTSDA-AWEZNQCLSA-N 1 2 261.325 0.885 20 30 CCEDLO Cc1cc(NC[C@H](O)C2CCOCC2)c(C#N)c[nH+]1 ZINC000425238120 235276704 /nfs/dbraw/zinc/27/67/04/235276704.db2.gz UNCNSTBGJWUZOO-AWEZNQCLSA-N 1 2 261.325 0.883 20 30 CCEDLO N#Cc1ncn(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000427142368 235353316 /nfs/dbraw/zinc/35/33/16/235353316.db2.gz DEMMMPBZKRXMSE-LBPRGKRZSA-N 1 2 298.306 0.225 20 30 CCEDLO N#Cc1ncccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000360701139 138007317 /nfs/dbraw/zinc/00/73/17/138007317.db2.gz FFSGXDDHSWLQIY-LLVKDONJSA-N 1 2 263.297 0.025 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nccnc2C#N)C1 ZINC000353877166 356308817 /nfs/dbraw/zinc/30/88/17/356308817.db2.gz UVHQOUAIIBJACT-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nccnc2C#N)C1 ZINC000353877166 356308822 /nfs/dbraw/zinc/30/88/22/356308822.db2.gz UVHQOUAIIBJACT-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362222642 138051147 /nfs/dbraw/zinc/05/11/47/138051147.db2.gz ZQPLCAVZIWUBBJ-LLVKDONJSA-N 1 2 259.313 0.259 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000609485969 363499124 /nfs/dbraw/zinc/49/91/24/363499124.db2.gz AWLSVKZAJJUIHN-JSGCOSHPSA-N 1 2 278.400 0.819 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000609345643 363492788 /nfs/dbraw/zinc/49/27/88/363492788.db2.gz HWCVQZYAHUURBI-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000609345643 363492790 /nfs/dbraw/zinc/49/27/90/363492790.db2.gz HWCVQZYAHUURBI-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000610213478 363541868 /nfs/dbraw/zinc/54/18/68/363541868.db2.gz RCHTVKRLMJQKKG-LBPRGKRZSA-N 1 2 282.388 0.405 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000610213478 363541872 /nfs/dbraw/zinc/54/18/72/363541872.db2.gz RCHTVKRLMJQKKG-LBPRGKRZSA-N 1 2 282.388 0.405 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000619721303 366340604 /nfs/dbraw/zinc/34/06/04/366340604.db2.gz TYHTYQOXUOXWIF-LBPRGKRZSA-N 1 2 276.340 0.635 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cn2cncn2)CC1 ZINC000619721822 366340827 /nfs/dbraw/zinc/34/08/27/366340827.db2.gz GNJYQICMOWSLQO-LBPRGKRZSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000619715969 366332910 /nfs/dbraw/zinc/33/29/10/366332910.db2.gz DYRDOSZNAKQLKU-QWHCGFSZSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000619715969 366332914 /nfs/dbraw/zinc/33/29/14/366332914.db2.gz DYRDOSZNAKQLKU-QWHCGFSZSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000619718598 366337393 /nfs/dbraw/zinc/33/73/93/366337393.db2.gz RITORZLWTNVTIA-JHJVBQTASA-N 1 2 283.368 0.966 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000619718312 366337527 /nfs/dbraw/zinc/33/75/27/366337527.db2.gz IANRDGLHWDFNMY-QWHCGFSZSA-N 1 2 269.341 0.984 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000619718103 366338315 /nfs/dbraw/zinc/33/83/15/366338315.db2.gz YFFACGVLUNYMBZ-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000619718103 366338317 /nfs/dbraw/zinc/33/83/17/366338317.db2.gz YFFACGVLUNYMBZ-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO COCC[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356090652 356701320 /nfs/dbraw/zinc/70/13/20/356701320.db2.gz SDLYRDQJDVMDMS-UHFFFAOYSA-N 1 2 266.370 0.779 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)CC(C)(CO)CO ZINC000356129057 356707847 /nfs/dbraw/zinc/70/78/47/356707847.db2.gz QIGMRVQZXMPOKW-UHFFFAOYSA-N 1 2 255.343 0.437 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)CC(C)(CO)CO ZINC000356129057 356707851 /nfs/dbraw/zinc/70/78/51/356707851.db2.gz QIGMRVQZXMPOKW-UHFFFAOYSA-N 1 2 255.343 0.437 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000619722597 366343569 /nfs/dbraw/zinc/34/35/69/366343569.db2.gz XCZPJHCSCMUQKH-FRRDWIJNSA-N 1 2 287.356 0.060 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000619722597 366343576 /nfs/dbraw/zinc/34/35/76/366343576.db2.gz XCZPJHCSCMUQKH-FRRDWIJNSA-N 1 2 287.356 0.060 20 30 CCEDLO Cc1ccc(C#N)c(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000365258400 357138640 /nfs/dbraw/zinc/13/86/40/357138640.db2.gz WBJVUCOOZUTEQU-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO Cc1ccc(C#N)c(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000365258400 357138643 /nfs/dbraw/zinc/13/86/43/357138643.db2.gz WBJVUCOOZUTEQU-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO CN1CCN(C(=O)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000610540359 363574237 /nfs/dbraw/zinc/57/42/37/363574237.db2.gz DZJCLWAFKFIQDP-UHFFFAOYSA-N 1 2 262.313 0.015 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604539 363584501 /nfs/dbraw/zinc/58/45/01/363584501.db2.gz WTSZMAZMEIFXFB-RWMBFGLXSA-N 1 2 295.383 0.145 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604539 363584507 /nfs/dbraw/zinc/58/45/07/363584507.db2.gz WTSZMAZMEIFXFB-RWMBFGLXSA-N 1 2 295.383 0.145 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614787 363585434 /nfs/dbraw/zinc/58/54/34/363585434.db2.gz QDEHAHGKPBQHKX-LEWSCRJBSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614787 363585437 /nfs/dbraw/zinc/58/54/37/363585437.db2.gz QDEHAHGKPBQHKX-LEWSCRJBSA-N 1 2 289.335 0.313 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21 ZINC000408289296 358012734 /nfs/dbraw/zinc/01/27/34/358012734.db2.gz DZMRRBVPBGNLBS-KGLIPLIRSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21 ZINC000408289296 358012736 /nfs/dbraw/zinc/01/27/36/358012736.db2.gz DZMRRBVPBGNLBS-KGLIPLIRSA-N 1 2 271.320 0.713 20 30 CCEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000562071784 291137809 /nfs/dbraw/zinc/13/78/09/291137809.db2.gz RLIHRSFVJGOMLL-QMMMGPOBSA-N 1 2 262.338 0.868 20 30 CCEDLO C#C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC000491192516 358292621 /nfs/dbraw/zinc/29/26/21/358292621.db2.gz PHZKSQCDLIQMHK-GFCCVEGCSA-N 1 2 252.358 0.871 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2ncncc2C#N)CCO1 ZINC000568860440 358710122 /nfs/dbraw/zinc/71/01/22/358710122.db2.gz QLSCYLDSXHAHKW-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2ncncc2C#N)CCO1 ZINC000568860440 358710124 /nfs/dbraw/zinc/71/01/24/358710124.db2.gz QLSCYLDSXHAHKW-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000570141848 358826998 /nfs/dbraw/zinc/82/69/98/358826998.db2.gz VXFUGVUXRLZGAZ-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000570141848 358827005 /nfs/dbraw/zinc/82/70/05/358827005.db2.gz VXFUGVUXRLZGAZ-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO CCC[C@@H]([NH2+]C[C@H]1CNc2c(C#N)cnn2C1)C(=O)OC ZINC000570964440 358899620 /nfs/dbraw/zinc/89/96/20/358899620.db2.gz RYFVZYCQMJMWJV-CMPLNLGQSA-N 1 2 291.355 0.728 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000573402116 358964129 /nfs/dbraw/zinc/96/41/29/358964129.db2.gz CCYHYHXFJOPIJK-GXTWGEPZSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000573402116 358964130 /nfs/dbraw/zinc/96/41/30/358964130.db2.gz CCYHYHXFJOPIJK-GXTWGEPZSA-N 1 2 289.335 0.172 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000586779354 359288708 /nfs/dbraw/zinc/28/87/08/359288708.db2.gz KIXMXWNDCOLACT-FRRDWIJNSA-N 1 2 268.357 0.509 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000586779354 359288710 /nfs/dbraw/zinc/28/87/10/359288710.db2.gz KIXMXWNDCOLACT-FRRDWIJNSA-N 1 2 268.357 0.509 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)ccn1 ZINC000587044932 359298874 /nfs/dbraw/zinc/29/88/74/359298874.db2.gz CSRAAQNIYKMKJQ-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000587740148 359301541 /nfs/dbraw/zinc/30/15/41/359301541.db2.gz GUSYRKWJHLICGS-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000587740148 359301546 /nfs/dbraw/zinc/30/15/46/359301546.db2.gz GUSYRKWJHLICGS-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589190842 359367618 /nfs/dbraw/zinc/36/76/18/359367618.db2.gz DIKDDPHYWACBEW-QMTHXVAHSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589190842 359367625 /nfs/dbraw/zinc/36/76/25/359367625.db2.gz DIKDDPHYWACBEW-QMTHXVAHSA-N 1 2 289.335 0.713 20 30 CCEDLO CCC[C@H](O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000611005636 363648153 /nfs/dbraw/zinc/64/81/53/363648153.db2.gz JSONTFVFPDSTCX-AWEZNQCLSA-N 1 2 297.399 0.612 20 30 CCEDLO C[C@H](NC(=O)c1cccc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000589392606 359380124 /nfs/dbraw/zinc/38/01/24/359380124.db2.gz WOMFGGNSKJQZAF-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000590153322 359426745 /nfs/dbraw/zinc/42/67/45/359426745.db2.gz XOCRJHPQHUOAHH-CQSZACIVSA-N 1 2 267.373 0.713 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000590592730 359491766 /nfs/dbraw/zinc/49/17/66/359491766.db2.gz BEIUDURUFLUWIK-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000590592730 359491772 /nfs/dbraw/zinc/49/17/72/359491772.db2.gz BEIUDURUFLUWIK-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCC1(F)F ZINC000591767382 359656292 /nfs/dbraw/zinc/65/62/92/359656292.db2.gz OYJCMCXMOQDJNM-WDEREUQCSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H]1CCCC1(F)F ZINC000591767382 359656296 /nfs/dbraw/zinc/65/62/96/359656296.db2.gz OYJCMCXMOQDJNM-WDEREUQCSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H]1CCCC1(F)F ZINC000591767382 359656303 /nfs/dbraw/zinc/65/63/03/359656303.db2.gz OYJCMCXMOQDJNM-WDEREUQCSA-N 1 2 261.316 0.970 20 30 CCEDLO CNS(=O)(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591819893 359662455 /nfs/dbraw/zinc/66/24/55/359662455.db2.gz SSJAQVIUQBVNMS-UHFFFAOYSA-N 1 2 294.380 0.780 20 30 CCEDLO CN1C(=O)NCC12CC[NH+](Cc1ccncc1C#N)CC2 ZINC000592125279 359760261 /nfs/dbraw/zinc/76/02/61/359760261.db2.gz BZEPZMBMMUNGQB-UHFFFAOYSA-N 1 2 285.351 0.943 20 30 CCEDLO COC(=O)c1occc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147636 359765351 /nfs/dbraw/zinc/76/53/51/359765351.db2.gz QTRDGQLOTNILKH-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1occc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147636 359765353 /nfs/dbraw/zinc/76/53/53/359765353.db2.gz QTRDGQLOTNILKH-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000592148972 359766890 /nfs/dbraw/zinc/76/68/90/359766890.db2.gz GFNBGNQALKCQIJ-HNNXBMFYSA-N 1 2 284.319 0.847 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000592148972 359766897 /nfs/dbraw/zinc/76/68/97/359766897.db2.gz GFNBGNQALKCQIJ-HNNXBMFYSA-N 1 2 284.319 0.847 20 30 CCEDLO CCCCOCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150986 359769717 /nfs/dbraw/zinc/76/97/17/359769717.db2.gz LOBAMVHCVQTBJI-CQSZACIVSA-N 1 2 283.372 0.270 20 30 CCEDLO CCCCOCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150986 359769720 /nfs/dbraw/zinc/76/97/20/359769720.db2.gz LOBAMVHCVQTBJI-CQSZACIVSA-N 1 2 283.372 0.270 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191091 363677853 /nfs/dbraw/zinc/67/78/53/363677853.db2.gz IFAVRDBUZGJBPL-LLVKDONJSA-N 1 2 263.345 0.850 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592512622 359868469 /nfs/dbraw/zinc/86/84/69/359868469.db2.gz NWDBFUPFTGPMHI-SNVBAGLBSA-N 1 2 284.323 0.311 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592512622 359868471 /nfs/dbraw/zinc/86/84/71/359868471.db2.gz NWDBFUPFTGPMHI-SNVBAGLBSA-N 1 2 284.323 0.311 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOCC1CC1 ZINC000593154417 360048634 /nfs/dbraw/zinc/04/86/34/360048634.db2.gz NCUXCIGVQAYTGQ-ZDUSSCGKSA-N 1 2 253.346 0.763 20 30 CCEDLO CCn1nc(C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154462 360048858 /nfs/dbraw/zinc/04/88/58/360048858.db2.gz KOEQYCPHYVHXIW-CYBMUJFWSA-N 1 2 263.345 0.785 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000593063337 360026000 /nfs/dbraw/zinc/02/60/00/360026000.db2.gz LTBXCHGGZKWWMY-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000593063337 360026005 /nfs/dbraw/zinc/02/60/05/360026005.db2.gz LTBXCHGGZKWWMY-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1cccc(C#N)c1 ZINC000611387273 363711515 /nfs/dbraw/zinc/71/15/15/363711515.db2.gz IZQZPLVGDMRUAM-QMMMGPOBSA-N 1 2 269.312 0.419 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1cn(CC2(C#N)CCCC2)nn1 ZINC000594657681 360356157 /nfs/dbraw/zinc/35/61/57/360356157.db2.gz DNZHQECBTTVMKO-NSHDSACASA-N 1 2 277.328 0.405 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658068 360356204 /nfs/dbraw/zinc/35/62/04/360356204.db2.gz JTBLLRQNVWGFOP-LBPRGKRZSA-N 1 2 291.355 0.795 20 30 CCEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CNC(=O)C1 ZINC000595340300 360499903 /nfs/dbraw/zinc/49/99/03/360499903.db2.gz DYAPSEITUGRHTD-LBPRGKRZSA-N 1 2 258.325 0.933 20 30 CCEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CNC(=O)C1 ZINC000595340300 360499906 /nfs/dbraw/zinc/49/99/06/360499906.db2.gz DYAPSEITUGRHTD-LBPRGKRZSA-N 1 2 258.325 0.933 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000595435045 360532515 /nfs/dbraw/zinc/53/25/15/360532515.db2.gz KFZMWVXFOLLTRJ-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595445260 360533944 /nfs/dbraw/zinc/53/39/44/360533944.db2.gz WBVHQHDGTNMXEZ-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595348582 360504519 /nfs/dbraw/zinc/50/45/19/360504519.db2.gz TXIBBXOORCWJIZ-OLZOCXBDSA-N 1 2 256.346 0.900 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595348582 360504523 /nfs/dbraw/zinc/50/45/23/360504523.db2.gz TXIBBXOORCWJIZ-OLZOCXBDSA-N 1 2 256.346 0.900 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595511657 360555808 /nfs/dbraw/zinc/55/58/08/360555808.db2.gz IUPNOMBUPKZEIZ-JTQLQIEISA-N 1 2 273.283 0.468 20 30 CCEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)C(=O)N(C)C ZINC000595611151 360596993 /nfs/dbraw/zinc/59/69/93/360596993.db2.gz HLQLKMCXBCEWJY-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)C(=O)N(C)C ZINC000595611151 360596997 /nfs/dbraw/zinc/59/69/97/360596997.db2.gz HLQLKMCXBCEWJY-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)C(C)C ZINC000595623930 360602148 /nfs/dbraw/zinc/60/21/48/360602148.db2.gz ZAQWDGYRSPDSPX-JSGCOSHPSA-N 1 2 295.383 0.926 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)C(C)C ZINC000595623930 360602149 /nfs/dbraw/zinc/60/21/49/360602149.db2.gz ZAQWDGYRSPDSPX-JSGCOSHPSA-N 1 2 295.383 0.926 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595867685 360684843 /nfs/dbraw/zinc/68/48/43/360684843.db2.gz NZEBIKGWVFNWQO-LLVKDONJSA-N 1 2 269.251 0.228 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000596110420 360797857 /nfs/dbraw/zinc/79/78/57/360797857.db2.gz NPBHZJHOHRXRPW-UHFFFAOYSA-N 1 2 289.383 0.855 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000596110420 360797860 /nfs/dbraw/zinc/79/78/60/360797860.db2.gz NPBHZJHOHRXRPW-UHFFFAOYSA-N 1 2 289.383 0.855 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(c3cc(C#N)cnn3)C2)CC1 ZINC000596124901 360804023 /nfs/dbraw/zinc/80/40/23/360804023.db2.gz ZMOKAVOTQCOTCN-AWEZNQCLSA-N 1 2 286.383 0.564 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)ncn2)[C@@H](C)CO1 ZINC000596432707 360892847 /nfs/dbraw/zinc/89/28/47/360892847.db2.gz RXIZQAVRTCBEPX-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)ncn2)[C@@H](C)CO1 ZINC000596432707 360892849 /nfs/dbraw/zinc/89/28/49/360892849.db2.gz RXIZQAVRTCBEPX-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597158384 361018442 /nfs/dbraw/zinc/01/84/42/361018442.db2.gz XUVAEHFEVPNTHK-ZDUSSCGKSA-N 1 2 261.329 0.854 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597158384 361018446 /nfs/dbraw/zinc/01/84/46/361018446.db2.gz XUVAEHFEVPNTHK-ZDUSSCGKSA-N 1 2 261.329 0.854 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640238 361170124 /nfs/dbraw/zinc/17/01/24/361170124.db2.gz JEUWHGHLMGFBFZ-NWDGAFQWSA-N 1 2 291.355 0.948 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640238 361170129 /nfs/dbraw/zinc/17/01/29/361170129.db2.gz JEUWHGHLMGFBFZ-NWDGAFQWSA-N 1 2 291.355 0.948 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597676929 361188464 /nfs/dbraw/zinc/18/84/64/361188464.db2.gz CYTPTQGLVUMWTG-QWHCGFSZSA-N 1 2 297.424 0.812 20 30 CCEDLO CCC(CC)[C@@H](C(=O)N[C@@H](C#N)CO)[NH+]1CCOCC1 ZINC000597739894 361221337 /nfs/dbraw/zinc/22/13/37/361221337.db2.gz CLRWDFMKJYFXBY-STQMWFEESA-N 1 2 283.372 0.124 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598590329 361450099 /nfs/dbraw/zinc/45/00/99/361450099.db2.gz PSUGMEPXQUIDEA-WDEREUQCSA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598590329 361450102 /nfs/dbraw/zinc/45/01/02/361450102.db2.gz PSUGMEPXQUIDEA-WDEREUQCSA-N 1 2 270.329 0.161 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000598948014 361537788 /nfs/dbraw/zinc/53/77/88/361537788.db2.gz OEBWTWBEFBDLKH-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO CCC(C#N)(CC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000599070179 361564977 /nfs/dbraw/zinc/56/49/77/361564977.db2.gz WSMFJUQNXQVSGS-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C#N ZINC000599318570 361651252 /nfs/dbraw/zinc/65/12/52/361651252.db2.gz INPITBWTNRSNGC-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C#N ZINC000599318570 361651257 /nfs/dbraw/zinc/65/12/57/361651257.db2.gz INPITBWTNRSNGC-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO C=CC1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631940192 370774887 /nfs/dbraw/zinc/77/48/87/370774887.db2.gz QZMURJSCZGQKPR-ZDUSSCGKSA-N 1 2 288.413 0.545 20 30 CCEDLO C=CC1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631940192 370774889 /nfs/dbraw/zinc/77/48/89/370774889.db2.gz QZMURJSCZGQKPR-ZDUSSCGKSA-N 1 2 288.413 0.545 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000614182199 364523552 /nfs/dbraw/zinc/52/35/52/364523552.db2.gz HBHLAIUMBCNUDQ-OCCSQVGLSA-N 1 2 262.309 0.998 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614701511 364702578 /nfs/dbraw/zinc/70/25/78/364702578.db2.gz WGUIUAZKEXNPFB-OCCSQVGLSA-N 1 2 290.367 0.785 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000044385727 260645897 /nfs/dbraw/zinc/64/58/97/260645897.db2.gz VFKGQPWADLYDBY-UHFFFAOYSA-N 1 2 265.357 0.597 20 30 CCEDLO C[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000615539895 364997715 /nfs/dbraw/zinc/99/77/15/364997715.db2.gz LRXIDYIWTYJCQW-SGMGOOAPSA-N 1 2 298.362 0.743 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000615764489 365082704 /nfs/dbraw/zinc/08/27/04/365082704.db2.gz DTGUYXWJDZWXTK-NSHDSACASA-N 1 2 284.323 0.616 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616102159 365179225 /nfs/dbraw/zinc/17/92/25/365179225.db2.gz YAIHBZCZTGDCQG-QJPTWQEYSA-N 1 2 263.341 0.967 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616505226 365347182 /nfs/dbraw/zinc/34/71/82/365347182.db2.gz JOQMNLYSKKIYPO-QWRGUYRKSA-N 1 2 261.325 0.405 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616505226 365347192 /nfs/dbraw/zinc/34/71/92/365347192.db2.gz JOQMNLYSKKIYPO-QWRGUYRKSA-N 1 2 261.325 0.405 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006453 368393890 /nfs/dbraw/zinc/39/38/90/368393890.db2.gz YITUQOMYAKZCIT-RYUDHWBXSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006453 368393895 /nfs/dbraw/zinc/39/38/95/368393895.db2.gz YITUQOMYAKZCIT-RYUDHWBXSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCCCCC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096954 368438447 /nfs/dbraw/zinc/43/84/47/368438447.db2.gz HQIWIQHFTVTMKJ-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCCC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096954 368438452 /nfs/dbraw/zinc/43/84/52/368438452.db2.gz HQIWIQHFTVTMKJ-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@](C)(COC)C2)C1=O ZINC000626176646 368477569 /nfs/dbraw/zinc/47/75/69/368477569.db2.gz TZKJLLPUQLLNAO-OCCSQVGLSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@](C)(COC)C2)C1=O ZINC000626176646 368477571 /nfs/dbraw/zinc/47/75/71/368477571.db2.gz TZKJLLPUQLLNAO-OCCSQVGLSA-N 1 2 268.357 0.511 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)nc1 ZINC000574288556 335007379 /nfs/dbraw/zinc/00/73/79/335007379.db2.gz STOBMFFJHVXEDR-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)nc1 ZINC000574288556 335007380 /nfs/dbraw/zinc/00/73/80/335007380.db2.gz STOBMFFJHVXEDR-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO COC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c(C#N)n1 ZINC000574291142 335007851 /nfs/dbraw/zinc/00/78/51/335007851.db2.gz RYBSSBYFZOKAGJ-UHFFFAOYSA-N 1 2 283.291 0.957 20 30 CCEDLO C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H](C)COC ZINC000656540968 412819542 /nfs/dbraw/zinc/81/95/42/412819542.db2.gz BZSLWAQWZPLZJG-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638475179 375072845 /nfs/dbraw/zinc/07/28/45/375072845.db2.gz VPOPZUQJGROXGC-NWDGAFQWSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCOCCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000574640044 335036511 /nfs/dbraw/zinc/03/65/11/335036511.db2.gz GAJQAUKHORCTPQ-UHFFFAOYSA-N 1 2 252.318 0.179 20 30 CCEDLO C=CCOCCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000574640044 335036512 /nfs/dbraw/zinc/03/65/12/335036512.db2.gz GAJQAUKHORCTPQ-UHFFFAOYSA-N 1 2 252.318 0.179 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639736834 375962765 /nfs/dbraw/zinc/96/27/65/375962765.db2.gz ABIARGSJSYUSBS-NSHDSACASA-N 1 2 264.316 0.169 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)C1=O ZINC000639689684 375923594 /nfs/dbraw/zinc/92/35/94/375923594.db2.gz KGWZNTDEOPQLSM-LOWDOPEQSA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)C1=O ZINC000639689684 375923597 /nfs/dbraw/zinc/92/35/97/375923597.db2.gz KGWZNTDEOPQLSM-LOWDOPEQSA-N 1 2 279.384 0.713 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CCC)no2)nn1 ZINC000640929549 376620183 /nfs/dbraw/zinc/62/01/83/376620183.db2.gz PMLPQWVYZKPFNI-UHFFFAOYSA-N 1 2 274.328 0.775 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000516927490 249189498 /nfs/dbraw/zinc/18/94/98/249189498.db2.gz NUEZDWPCRWKJKI-SNVBAGLBSA-N 1 2 257.297 0.822 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000516927490 249189500 /nfs/dbraw/zinc/18/95/00/249189500.db2.gz NUEZDWPCRWKJKI-SNVBAGLBSA-N 1 2 257.297 0.822 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)nn1 ZINC000657360346 412969569 /nfs/dbraw/zinc/96/95/69/412969569.db2.gz CXTXTRWYURPWLS-JTQLQIEISA-N 1 2 272.374 0.377 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(C)C2=O)nn1 ZINC000657387245 412977410 /nfs/dbraw/zinc/97/74/10/412977410.db2.gz NKSYBMLBSIHDLO-LBPRGKRZSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CC[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000116941709 260008839 /nfs/dbraw/zinc/00/88/39/260008839.db2.gz FXJZWHQPDKARRG-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185218719 388794178 /nfs/dbraw/zinc/79/41/78/388794178.db2.gz JJCROUYXKCCNSA-OAHLLOKOSA-N 1 2 280.368 0.678 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185218719 388794182 /nfs/dbraw/zinc/79/41/82/388794182.db2.gz JJCROUYXKCCNSA-OAHLLOKOSA-N 1 2 280.368 0.678 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284109355 388772918 /nfs/dbraw/zinc/77/29/18/388772918.db2.gz VPGHNPHNABEOAG-UHFFFAOYSA-N 1 2 262.313 0.200 20 30 CCEDLO C=CCCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284141004 388773363 /nfs/dbraw/zinc/77/33/63/388773363.db2.gz XITHERJOKSWIMW-UHFFFAOYSA-N 1 2 264.329 0.472 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027634281 388825200 /nfs/dbraw/zinc/82/52/00/388825200.db2.gz MDYXRHAZTAVDGU-LBPRGKRZSA-N 1 2 275.356 0.289 20 30 CCEDLO C=CCCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000288559746 388863477 /nfs/dbraw/zinc/86/34/77/388863477.db2.gz JTRPRMFDKQONSX-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000287203099 388849695 /nfs/dbraw/zinc/84/96/95/388849695.db2.gz IDKHLOTUTMGSFP-DGCLKSJQSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177260 388917199 /nfs/dbraw/zinc/91/71/99/388917199.db2.gz WBSQXRWGWJIYPU-MNOVXSKESA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177260 388917200 /nfs/dbraw/zinc/91/72/00/388917200.db2.gz WBSQXRWGWJIYPU-MNOVXSKESA-N 1 2 283.372 0.886 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000049238726 388918298 /nfs/dbraw/zinc/91/82/98/388918298.db2.gz QVXXMDADBZITEC-RISCZKNCSA-N 1 2 278.356 0.005 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000049238726 388918302 /nfs/dbraw/zinc/91/83/02/388918302.db2.gz QVXXMDADBZITEC-RISCZKNCSA-N 1 2 278.356 0.005 20 30 CCEDLO N#Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1O ZINC000188211121 388918653 /nfs/dbraw/zinc/91/86/53/388918653.db2.gz VOWKBWPFHPBNEH-UHFFFAOYSA-N 1 2 289.335 0.716 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000291290314 388920277 /nfs/dbraw/zinc/92/02/77/388920277.db2.gz OFRLKHFOSQLPDG-NSHDSACASA-N 1 2 274.324 0.989 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000291290310 388920436 /nfs/dbraw/zinc/92/04/36/388920436.db2.gz OFRLKHFOSQLPDG-LLVKDONJSA-N 1 2 274.324 0.989 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000052710105 388927675 /nfs/dbraw/zinc/92/76/75/388927675.db2.gz BRMVINVZQFKSMF-GASCZTMLSA-N 1 2 277.412 0.742 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000052710105 388927676 /nfs/dbraw/zinc/92/76/76/388927676.db2.gz BRMVINVZQFKSMF-GASCZTMLSA-N 1 2 277.412 0.742 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)cn2)CC[N@@H+]1CCO ZINC000188817912 388942490 /nfs/dbraw/zinc/94/24/90/388942490.db2.gz DIVAGDCXUUBMRL-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)cn2)CC[N@H+]1CCO ZINC000188817912 388942495 /nfs/dbraw/zinc/94/24/95/388942495.db2.gz DIVAGDCXUUBMRL-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C=CCn1c(C)nnc1SC[C@H](O)C[NH+]1CCOCC1 ZINC000066237948 388944354 /nfs/dbraw/zinc/94/43/54/388944354.db2.gz FZVWDYRLAHFMDV-GFCCVEGCSA-N 1 2 298.412 0.558 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293658337 388986394 /nfs/dbraw/zinc/98/63/94/388986394.db2.gz SYQMFAGDGXOYJE-LBPRGKRZSA-N 1 2 280.372 0.610 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000293658337 388986396 /nfs/dbraw/zinc/98/63/96/388986396.db2.gz SYQMFAGDGXOYJE-LBPRGKRZSA-N 1 2 280.372 0.610 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000192219635 389028458 /nfs/dbraw/zinc/02/84/58/389028458.db2.gz TWHHYTIQHRDPOB-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000192219635 389028462 /nfs/dbraw/zinc/02/84/62/389028462.db2.gz TWHHYTIQHRDPOB-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000192229921 389029695 /nfs/dbraw/zinc/02/96/95/389029695.db2.gz NBAYXMSTPWPEAV-UHFFFAOYSA-N 1 2 295.364 0.146 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000192229921 389029700 /nfs/dbraw/zinc/02/97/00/389029700.db2.gz NBAYXMSTPWPEAV-UHFFFAOYSA-N 1 2 295.364 0.146 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000298267956 389012266 /nfs/dbraw/zinc/01/22/66/389012266.db2.gz BKSQIINOZKWEOV-UHFFFAOYSA-N 1 2 255.325 0.720 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090008900 389018693 /nfs/dbraw/zinc/01/86/93/389018693.db2.gz HOVZTPHRTMCORR-UKRRQHHQSA-N 1 2 277.368 0.906 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090008900 389018696 /nfs/dbraw/zinc/01/86/96/389018696.db2.gz HOVZTPHRTMCORR-UKRRQHHQSA-N 1 2 277.368 0.906 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301783153 389057938 /nfs/dbraw/zinc/05/79/38/389057938.db2.gz OHGRCPPGOWLUQQ-SNVBAGLBSA-N 1 2 276.315 0.693 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337536756 389063350 /nfs/dbraw/zinc/06/33/50/389063350.db2.gz YKIRYTUACAMGFF-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337536756 389063353 /nfs/dbraw/zinc/06/33/53/389063353.db2.gz YKIRYTUACAMGFF-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337577658 389064314 /nfs/dbraw/zinc/06/43/14/389064314.db2.gz HDMTXNJRQGPQAD-ZDUSSCGKSA-N 1 2 261.325 0.757 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000304807174 389082856 /nfs/dbraw/zinc/08/28/56/389082856.db2.gz FVBSCBJWWKBJEP-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000225802875 389146407 /nfs/dbraw/zinc/14/64/07/389146407.db2.gz MAKUDBXCZWKVBU-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000225802875 389146410 /nfs/dbraw/zinc/14/64/10/389146410.db2.gz MAKUDBXCZWKVBU-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121312858 389146971 /nfs/dbraw/zinc/14/69/71/389146971.db2.gz RKQAVSHHTNZQAK-JTQLQIEISA-N 1 2 257.334 0.471 20 30 CCEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000121419991 389147851 /nfs/dbraw/zinc/14/78/51/389147851.db2.gz UPWCKZGNYZBARL-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO C=C(Br)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000111688368 389112797 /nfs/dbraw/zinc/11/27/97/389112797.db2.gz RRCYYXSIVAPHKD-UHFFFAOYSA-N 1 2 262.151 0.981 20 30 CCEDLO C=C(Br)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688368 389112798 /nfs/dbraw/zinc/11/27/98/389112798.db2.gz RRCYYXSIVAPHKD-UHFFFAOYSA-N 1 2 262.151 0.981 20 30 CCEDLO O=C(NCC[NH+]1CCC1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000328690673 389132007 /nfs/dbraw/zinc/13/20/07/389132007.db2.gz DLVFVIHTECASLS-LLVKDONJSA-N 1 2 263.345 0.476 20 30 CCEDLO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(N)=O ZINC000115599762 389133054 /nfs/dbraw/zinc/13/30/54/389133054.db2.gz QDSQDOZXQACXCI-NEPJUHHUSA-N 1 2 274.324 0.184 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328771775 389136990 /nfs/dbraw/zinc/13/69/90/389136990.db2.gz GYIMMVPNOZNYAK-GHMZBOCLSA-N 1 2 251.330 0.824 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1=O ZINC000328771775 389136991 /nfs/dbraw/zinc/13/69/91/389136991.db2.gz GYIMMVPNOZNYAK-GHMZBOCLSA-N 1 2 251.330 0.824 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 ZINC000329637005 389180546 /nfs/dbraw/zinc/18/05/46/389180546.db2.gz VJUJPAMASNXRPX-NSHDSACASA-N 1 2 294.380 0.843 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC1CCOCC1 ZINC000329652771 389182862 /nfs/dbraw/zinc/18/28/62/389182862.db2.gz DLWCCYKZOJDBTD-ZDUSSCGKSA-N 1 2 283.372 0.138 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC1CCOCC1 ZINC000329652771 389182864 /nfs/dbraw/zinc/18/28/64/389182864.db2.gz DLWCCYKZOJDBTD-ZDUSSCGKSA-N 1 2 283.372 0.138 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC#N)CC1 ZINC000360021635 389187726 /nfs/dbraw/zinc/18/77/26/389187726.db2.gz DFMQISSPJFKOPI-UHFFFAOYSA-N 1 2 280.372 0.351 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC#N)CC1 ZINC000360021635 389187729 /nfs/dbraw/zinc/18/77/29/389187729.db2.gz DFMQISSPJFKOPI-UHFFFAOYSA-N 1 2 280.372 0.351 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129676047 389191715 /nfs/dbraw/zinc/19/17/15/389191715.db2.gz ZQXNJOSGROATQF-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000129676047 389191716 /nfs/dbraw/zinc/19/17/16/389191716.db2.gz ZQXNJOSGROATQF-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000329739564 389194973 /nfs/dbraw/zinc/19/49/73/389194973.db2.gz UXXRZFVGTAWNPJ-ZMLRMANQSA-N 1 2 279.344 0.400 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000329739564 389194974 /nfs/dbraw/zinc/19/49/74/389194974.db2.gz UXXRZFVGTAWNPJ-ZMLRMANQSA-N 1 2 279.344 0.400 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000342157989 389199040 /nfs/dbraw/zinc/19/90/40/389199040.db2.gz HUWANUCQRGCPNE-RYUDHWBXSA-N 1 2 263.341 0.746 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cncnc1 ZINC000329229489 389152840 /nfs/dbraw/zinc/15/28/40/389152840.db2.gz CRLUXJUEAVUYGM-WCQYABFASA-N 1 2 291.355 0.817 20 30 CCEDLO C=C(CC)C[N@@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000358626819 389156393 /nfs/dbraw/zinc/15/63/93/389156393.db2.gz SJBMXWBEJVLXNF-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(CC)C[N@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000358626819 389156396 /nfs/dbraw/zinc/15/63/96/389156396.db2.gz SJBMXWBEJVLXNF-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCCOC1 ZINC000329330211 389157456 /nfs/dbraw/zinc/15/74/56/389157456.db2.gz LOMLBGQCYBFQPM-GFCCVEGCSA-N 1 2 283.372 0.534 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000358782471 389160192 /nfs/dbraw/zinc/16/01/92/389160192.db2.gz AXRBKMALXKZESL-LBPRGKRZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000358782471 389160193 /nfs/dbraw/zinc/16/01/93/389160193.db2.gz AXRBKMALXKZESL-LBPRGKRZSA-N 1 2 285.388 0.333 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccccn3)C[C@H]21 ZINC000329583035 389171696 /nfs/dbraw/zinc/17/16/96/389171696.db2.gz VPACGYHLADXPEU-MNOVXSKESA-N 1 2 262.313 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccccn3)C[C@H]21 ZINC000329583035 389171698 /nfs/dbraw/zinc/17/16/98/389171698.db2.gz VPACGYHLADXPEU-MNOVXSKESA-N 1 2 262.313 0.642 20 30 CCEDLO Cc1nccc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000329607944 389175531 /nfs/dbraw/zinc/17/55/31/389175531.db2.gz MXSWZGIUAHRYME-UHFFFAOYSA-N 1 2 265.317 0.443 20 30 CCEDLO CCN(CC#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363700158 389252755 /nfs/dbraw/zinc/25/27/55/389252755.db2.gz MHZLRKLYDCLALC-UHFFFAOYSA-N 1 2 251.330 0.613 20 30 CCEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000342842076 389254277 /nfs/dbraw/zinc/25/42/77/389254277.db2.gz BYQJXUHMVQFSNE-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000136063611 389264366 /nfs/dbraw/zinc/26/43/66/389264366.db2.gz BCEBLTPPDZORGR-UHFFFAOYSA-N 1 2 262.269 0.168 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)OC ZINC000361112487 389208449 /nfs/dbraw/zinc/20/84/49/389208449.db2.gz YRISJEXIUXRWMW-SRVKXCTJSA-N 1 2 257.330 0.745 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000329893806 389209503 /nfs/dbraw/zinc/20/95/03/389209503.db2.gz AYYBLMWRNLRJJX-CHWSQXEVSA-N 1 2 268.357 0.104 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329925462 389211298 /nfs/dbraw/zinc/21/12/98/389211298.db2.gz JVHOXXWBMVTDBH-GHMZBOCLSA-N 1 2 280.328 0.852 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329925462 389211302 /nfs/dbraw/zinc/21/13/02/389211302.db2.gz JVHOXXWBMVTDBH-GHMZBOCLSA-N 1 2 280.328 0.852 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C1CCOCC1 ZINC000330000261 389215360 /nfs/dbraw/zinc/21/53/60/389215360.db2.gz WDFCBYDLEYGLIJ-YUTCNCBUSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C1CCOCC1 ZINC000330000261 389215363 /nfs/dbraw/zinc/21/53/63/389215363.db2.gz WDFCBYDLEYGLIJ-YUTCNCBUSA-N 1 2 297.399 0.730 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342402348 389217508 /nfs/dbraw/zinc/21/75/08/389217508.db2.gz QIUOYCWGERKHFF-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246159768 389224541 /nfs/dbraw/zinc/22/45/41/389224541.db2.gz UKBFXVWIHYGIBQ-HTQZYQBOSA-N 1 2 254.252 0.532 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246159768 389224543 /nfs/dbraw/zinc/22/45/43/389224543.db2.gz UKBFXVWIHYGIBQ-HTQZYQBOSA-N 1 2 254.252 0.532 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330415431 389226618 /nfs/dbraw/zinc/22/66/18/389226618.db2.gz UKTWRDSKDNFMDN-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330415431 389226621 /nfs/dbraw/zinc/22/66/21/389226621.db2.gz UKTWRDSKDNFMDN-YNEHKIRRSA-N 1 2 292.383 0.205 20 30 CCEDLO N#CCC1(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000362330183 389234083 /nfs/dbraw/zinc/23/40/83/389234083.db2.gz NNKOXNSBYCSZNC-UHFFFAOYSA-N 1 2 266.345 0.312 20 30 CCEDLO CCc1ocnc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330483364 389234756 /nfs/dbraw/zinc/23/47/56/389234756.db2.gz VLUMBYJUUHLBPQ-SNVBAGLBSA-N 1 2 283.328 0.235 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000330495281 389235587 /nfs/dbraw/zinc/23/55/87/389235587.db2.gz QRLHUJBAWKZSEF-OCCSQVGLSA-N 1 2 273.336 0.916 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000330495281 389235589 /nfs/dbraw/zinc/23/55/89/389235589.db2.gz QRLHUJBAWKZSEF-OCCSQVGLSA-N 1 2 273.336 0.916 20 30 CCEDLO CCN(CCC#N)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000330522962 389237549 /nfs/dbraw/zinc/23/75/49/389237549.db2.gz JCWQQIQOIUEAQW-LBPRGKRZSA-N 1 2 252.362 0.384 20 30 CCEDLO CCNC(=O)N1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000330519225 389237836 /nfs/dbraw/zinc/23/78/36/389237836.db2.gz GIRUWTIFXYDIOR-UHFFFAOYSA-N 1 2 265.361 0.743 20 30 CCEDLO N#CCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345851828 389316877 /nfs/dbraw/zinc/31/68/77/389316877.db2.gz SXLMEEWQWQZZPN-ZDUSSCGKSA-N 1 2 280.372 0.796 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)NCC#N)c(C(F)(F)F)n1 ZINC000155129182 389317580 /nfs/dbraw/zinc/31/75/80/389317580.db2.gz TVKSXJBKJWQFHO-UHFFFAOYSA-N 1 2 289.261 0.510 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)NCC#N)c(C(F)(F)F)n1 ZINC000155129182 389317584 /nfs/dbraw/zinc/31/75/84/389317584.db2.gz TVKSXJBKJWQFHO-UHFFFAOYSA-N 1 2 289.261 0.510 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155768173 389320827 /nfs/dbraw/zinc/32/08/27/389320827.db2.gz FWAIMGGQMYAGSY-CQSZACIVSA-N 1 2 296.367 0.801 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155768173 389320830 /nfs/dbraw/zinc/32/08/30/389320830.db2.gz FWAIMGGQMYAGSY-CQSZACIVSA-N 1 2 296.367 0.801 20 30 CCEDLO C=C1CC[NH+](CC(=O)NC(=O)N[C@H](C)COC)CC1 ZINC000264457881 389329658 /nfs/dbraw/zinc/32/96/58/389329658.db2.gz JPPBHAVGKLSGKH-LLVKDONJSA-N 1 2 269.345 0.499 20 30 CCEDLO CCO[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346504476 389330815 /nfs/dbraw/zinc/33/08/15/389330815.db2.gz HNHZKCWVXSPIFT-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO CC#CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000157980629 389334803 /nfs/dbraw/zinc/33/48/03/389334803.db2.gz AAVCMTWWEBHQBJ-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000157980629 389334806 /nfs/dbraw/zinc/33/48/06/389334806.db2.gz AAVCMTWWEBHQBJ-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330991159 389274879 /nfs/dbraw/zinc/27/48/79/389274879.db2.gz YLPPPKPBUVAFSR-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO CC(C)[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC000331015901 389283803 /nfs/dbraw/zinc/28/38/03/389283803.db2.gz XZOWLKYYSKRYLL-QWRGUYRKSA-N 1 2 285.392 0.296 20 30 CCEDLO CC(C)[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC000331015901 389283804 /nfs/dbraw/zinc/28/38/04/389283804.db2.gz XZOWLKYYSKRYLL-QWRGUYRKSA-N 1 2 285.392 0.296 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/CC)CC1 ZINC000264114438 389307251 /nfs/dbraw/zinc/30/72/51/389307251.db2.gz DNMREMAZSXBTOV-VGOFMYFVSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/CC)CC1 ZINC000264114438 389307254 /nfs/dbraw/zinc/30/72/54/389307254.db2.gz DNMREMAZSXBTOV-VGOFMYFVSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266884961 389367983 /nfs/dbraw/zinc/36/79/83/389367983.db2.gz ZHZNCBCNMWBKKV-PSASIEDQSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266884961 389367986 /nfs/dbraw/zinc/36/79/86/389367986.db2.gz ZHZNCBCNMWBKKV-PSASIEDQSA-N 1 2 264.247 0.123 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccnn1C ZINC000348367846 389374539 /nfs/dbraw/zinc/37/45/39/389374539.db2.gz JMEAMOAKQRQVLH-NSHDSACASA-N 1 2 263.345 0.612 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccnn1C ZINC000348367846 389374541 /nfs/dbraw/zinc/37/45/41/389374541.db2.gz JMEAMOAKQRQVLH-NSHDSACASA-N 1 2 263.345 0.612 20 30 CCEDLO C=CCSCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348430970 389376631 /nfs/dbraw/zinc/37/66/31/389376631.db2.gz UQJYXAOHTLDZIH-LBPRGKRZSA-N 1 2 286.445 0.451 20 30 CCEDLO C=CCSCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348430970 389376637 /nfs/dbraw/zinc/37/66/37/389376637.db2.gz UQJYXAOHTLDZIH-LBPRGKRZSA-N 1 2 286.445 0.451 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000268706607 389388669 /nfs/dbraw/zinc/38/86/69/389388669.db2.gz SKVPLDSXENWZDR-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000268706607 389388673 /nfs/dbraw/zinc/38/86/73/389388673.db2.gz SKVPLDSXENWZDR-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccon1 ZINC000349241384 389408424 /nfs/dbraw/zinc/40/84/24/389408424.db2.gz KRBUGZFAGSNHNH-LLVKDONJSA-N 1 2 275.312 0.981 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C#N)CC1 ZINC000057879770 262349910 /nfs/dbraw/zinc/34/99/10/262349910.db2.gz RQFSXTCZUYGWMI-VIFPVBQESA-N 1 2 264.329 0.599 20 30 CCEDLO CN(CC#N)C[C@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C ZINC000348090494 389363857 /nfs/dbraw/zinc/36/38/57/389363857.db2.gz UQHBYARFDZMWBF-WCQYABFASA-N 1 2 265.336 0.788 20 30 CCEDLO CN(CC#N)C[C@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C ZINC000348090494 389363860 /nfs/dbraw/zinc/36/38/60/389363860.db2.gz UQHBYARFDZMWBF-WCQYABFASA-N 1 2 265.336 0.788 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274161805 389491904 /nfs/dbraw/zinc/49/19/04/389491904.db2.gz MGNQUWCIHXIRAX-GHMZBOCLSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274161805 389491910 /nfs/dbraw/zinc/49/19/10/389491910.db2.gz MGNQUWCIHXIRAX-GHMZBOCLSA-N 1 2 274.386 0.186 20 30 CCEDLO CCCc1noc(CO[NH+]=C(N)CN2CCOCC2)n1 ZINC000174149989 389515685 /nfs/dbraw/zinc/51/56/85/389515685.db2.gz RLQIKUXMBRGUJC-UHFFFAOYSA-N 1 2 283.332 0.143 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)NCC)CC2)C1=O ZINC000281138634 389609118 /nfs/dbraw/zinc/60/91/18/389609118.db2.gz AJCDGSCZHHCYDS-GFCCVEGCSA-N 1 2 280.372 0.120 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)CC)C1=O ZINC000281185917 389610020 /nfs/dbraw/zinc/61/00/20/389610020.db2.gz BGIYCGGTCYNINV-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)CC)C1=O ZINC000281185917 389610022 /nfs/dbraw/zinc/61/00/22/389610022.db2.gz BGIYCGGTCYNINV-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCCC2)C1=O ZINC000281486893 389617679 /nfs/dbraw/zinc/61/76/79/389617679.db2.gz XBUOUERLTYFPHF-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCCC2)C1=O ZINC000281486893 389617682 /nfs/dbraw/zinc/61/76/82/389617682.db2.gz XBUOUERLTYFPHF-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1=O ZINC000281630174 389620596 /nfs/dbraw/zinc/62/05/96/389620596.db2.gz GOBSJNBQGRCTTA-ZDUSSCGKSA-N 1 2 290.367 0.598 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000281938768 389637930 /nfs/dbraw/zinc/63/79/30/389637930.db2.gz IRMSUKHSLALGAZ-CYBMUJFWSA-N 1 2 287.367 0.386 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177236778 389576209 /nfs/dbraw/zinc/57/62/09/389576209.db2.gz RAMDNUSYEHQZDK-GFCCVEGCSA-N 1 2 275.356 0.917 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177236778 389576213 /nfs/dbraw/zinc/57/62/13/389576213.db2.gz RAMDNUSYEHQZDK-GFCCVEGCSA-N 1 2 275.356 0.917 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280332705 389600453 /nfs/dbraw/zinc/60/04/53/389600453.db2.gz ZHPPQZXCMFSAHP-UHFFFAOYSA-N 1 2 274.320 0.879 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000282306917 389660006 /nfs/dbraw/zinc/66/00/06/389660006.db2.gz KEGHZEYVYSMRDT-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000282306917 389660010 /nfs/dbraw/zinc/66/00/10/389660010.db2.gz KEGHZEYVYSMRDT-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181271259 389683355 /nfs/dbraw/zinc/68/33/55/389683355.db2.gz ZLBCYSMPBLFCFP-UWVGGRQHSA-N 1 2 295.305 0.850 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181271259 389683358 /nfs/dbraw/zinc/68/33/58/389683358.db2.gz ZLBCYSMPBLFCFP-UWVGGRQHSA-N 1 2 295.305 0.850 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@@]23CCOC3)C1=O ZINC000375609493 389692017 /nfs/dbraw/zinc/69/20/17/389692017.db2.gz AUHCVKKLQHTKBS-OCCSQVGLSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@@]23CCOC3)C1=O ZINC000375609493 389692020 /nfs/dbraw/zinc/69/20/20/389692020.db2.gz AUHCVKKLQHTKBS-OCCSQVGLSA-N 1 2 266.341 0.265 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CCC1 ZINC000375636298 389695163 /nfs/dbraw/zinc/69/51/63/389695163.db2.gz LGHRNTWESTWCEK-HNNXBMFYSA-N 1 2 293.367 0.430 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)CCC1 ZINC000375636298 389695167 /nfs/dbraw/zinc/69/51/67/389695167.db2.gz LGHRNTWESTWCEK-HNNXBMFYSA-N 1 2 293.367 0.430 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2nnc(C)n2C)cc1 ZINC000181877913 389695536 /nfs/dbraw/zinc/69/55/36/389695536.db2.gz ZUSAGCFESHACRX-UHFFFAOYSA-N 1 2 275.312 0.969 20 30 CCEDLO Cc1ncc(S(=O)(=O)NCc2c[nH+]cn2C)cc1C#N ZINC000388443334 389770093 /nfs/dbraw/zinc/77/00/93/389770093.db2.gz HXMSQRHRJSVXBS-UHFFFAOYSA-N 1 2 291.336 0.474 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451609 389813118 /nfs/dbraw/zinc/81/31/18/389813118.db2.gz YGKXEPGIGQRBEE-NEPJUHHUSA-N 1 2 283.347 0.998 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000408213466 389835984 /nfs/dbraw/zinc/83/59/84/389835984.db2.gz HHOFWFHYOSUTDW-DGCLKSJQSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000408213466 389835987 /nfs/dbraw/zinc/83/59/87/389835987.db2.gz HHOFWFHYOSUTDW-DGCLKSJQSA-N 1 2 263.341 0.660 20 30 CCEDLO Cc1cc(=NC(=O)NCCn2cc[nH+]c2)[nH]n1CCC#N ZINC000352899461 389839960 /nfs/dbraw/zinc/83/99/60/389839960.db2.gz DDUDFPXCVWYBJN-UHFFFAOYSA-N 1 2 287.327 0.545 20 30 CCEDLO COC(=O)C[C@]1([NH2+]Cc2nc(C#N)cs2)CCOC1 ZINC000352931085 389842098 /nfs/dbraw/zinc/84/20/98/389842098.db2.gz DYLKXTFIXUXNNQ-GFCCVEGCSA-N 1 2 281.337 0.827 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443717199 389884171 /nfs/dbraw/zinc/88/41/71/389884171.db2.gz IQADBYUOHWQIGH-UHFFFAOYSA-N 1 2 265.338 0.542 20 30 CCEDLO N#Cc1cccc2c1CCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC000420971360 390041345 /nfs/dbraw/zinc/04/13/45/390041345.db2.gz HRTBFSPMMUUNIP-AWEZNQCLSA-N 1 2 287.363 0.614 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000457099300 390028667 /nfs/dbraw/zinc/02/86/67/390028667.db2.gz MOECYALSCHAPCT-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000457099300 390028670 /nfs/dbraw/zinc/02/86/70/390028670.db2.gz MOECYALSCHAPCT-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO Cc1c(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000493159493 390119868 /nfs/dbraw/zinc/11/98/68/390119868.db2.gz PVWKCCOCBQSOMG-PSKZRQQASA-N 1 2 275.356 0.702 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000491760065 390116715 /nfs/dbraw/zinc/11/67/15/390116715.db2.gz PDQOHPFNULZCBJ-GWCFXTLKSA-N 1 2 266.366 0.780 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000491760065 390116716 /nfs/dbraw/zinc/11/67/16/390116716.db2.gz PDQOHPFNULZCBJ-GWCFXTLKSA-N 1 2 266.366 0.780 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491800056 390116830 /nfs/dbraw/zinc/11/68/30/390116830.db2.gz YNOPSGHNMSCTGR-MWWKQMNYSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491800056 390116831 /nfs/dbraw/zinc/11/68/31/390116831.db2.gz YNOPSGHNMSCTGR-MWWKQMNYSA-N 1 2 298.390 0.933 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000579059546 390138239 /nfs/dbraw/zinc/13/82/39/390138239.db2.gz NXFONCGXMWFXEK-UHFFFAOYSA-N 1 2 280.353 0.722 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nncn1C ZINC000494792488 390201123 /nfs/dbraw/zinc/20/11/23/390201123.db2.gz HOIMRIXOYGUSBO-SNVBAGLBSA-N 1 2 284.323 0.976 20 30 CCEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)CCC#N ZINC000495452464 390241529 /nfs/dbraw/zinc/24/15/29/390241529.db2.gz CVXWUXAVXAQBFV-UHFFFAOYSA-N 1 2 257.334 0.719 20 30 CCEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)CCC#N ZINC000495452464 390241533 /nfs/dbraw/zinc/24/15/33/390241533.db2.gz CVXWUXAVXAQBFV-UHFFFAOYSA-N 1 2 257.334 0.719 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580385862 390242807 /nfs/dbraw/zinc/24/28/07/390242807.db2.gz IFKNCNNAMSMKNA-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580385862 390242809 /nfs/dbraw/zinc/24/28/09/390242809.db2.gz IFKNCNNAMSMKNA-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC000644718395 390292310 /nfs/dbraw/zinc/29/23/10/390292310.db2.gz XDCWMCOJAKGZJD-LLVKDONJSA-N 1 2 286.339 0.796 20 30 CCEDLO CCN1CCN(c2ncncc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000582118752 390261679 /nfs/dbraw/zinc/26/16/79/390261679.db2.gz KMODKFSTXFROHZ-LBPRGKRZSA-N 1 2 283.339 0.955 20 30 CCEDLO C=CCn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)nn1 ZINC000648785304 390409021 /nfs/dbraw/zinc/40/90/21/390409021.db2.gz CRYJUCOUKISZRL-UHFFFAOYSA-N 1 2 258.285 0.358 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CCC1 ZINC000554264900 390424398 /nfs/dbraw/zinc/42/43/98/390424398.db2.gz UHQWORBBUZTWEO-UHFFFAOYSA-N 1 2 286.335 0.708 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)CCC1 ZINC000554264900 390424399 /nfs/dbraw/zinc/42/43/99/390424399.db2.gz UHQWORBBUZTWEO-UHFFFAOYSA-N 1 2 286.335 0.708 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000554592445 390435800 /nfs/dbraw/zinc/43/58/00/390435800.db2.gz LPDMOHCOQLDTSI-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000554592445 390435806 /nfs/dbraw/zinc/43/58/06/390435806.db2.gz LPDMOHCOQLDTSI-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000645511585 390439076 /nfs/dbraw/zinc/43/90/76/390439076.db2.gz VNFIYZFOVKZXRF-MNOVXSKESA-N 1 2 276.340 0.341 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000645511585 390439079 /nfs/dbraw/zinc/43/90/79/390439079.db2.gz VNFIYZFOVKZXRF-MNOVXSKESA-N 1 2 276.340 0.341 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000645161691 390379595 /nfs/dbraw/zinc/37/95/95/390379595.db2.gz DXRPGXLILVJEIC-ZDUSSCGKSA-N 1 2 290.367 0.721 20 30 CCEDLO CCc1nnc(CNC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000564869675 390497043 /nfs/dbraw/zinc/49/70/43/390497043.db2.gz CYIQOTVSIFBNHR-SNVBAGLBSA-N 1 2 283.401 0.396 20 30 CCEDLO CCc1nnc(CNC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000564869675 390497046 /nfs/dbraw/zinc/49/70/46/390497046.db2.gz CYIQOTVSIFBNHR-SNVBAGLBSA-N 1 2 283.401 0.396 20 30 CCEDLO CCc1nnc(CNC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000564869674 390497313 /nfs/dbraw/zinc/49/73/13/390497313.db2.gz CYIQOTVSIFBNHR-JTQLQIEISA-N 1 2 283.401 0.396 20 30 CCEDLO CCc1nnc(CNC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000564869674 390497318 /nfs/dbraw/zinc/49/73/18/390497318.db2.gz CYIQOTVSIFBNHR-JTQLQIEISA-N 1 2 283.401 0.396 20 30 CCEDLO C=CCn1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)nn1 ZINC000516072093 390478954 /nfs/dbraw/zinc/47/89/54/390478954.db2.gz VVPWQVKMTIBCJO-NSHDSACASA-N 1 2 274.328 0.928 20 30 CCEDLO N#Cc1cccc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000565537374 390522429 /nfs/dbraw/zinc/52/24/29/390522429.db2.gz NQMOTLMQFBAXLU-UHFFFAOYSA-N 1 2 275.312 0.407 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566493490 390623909 /nfs/dbraw/zinc/62/39/09/390623909.db2.gz TWZZFOJYMJYOST-SNVBAGLBSA-N 1 2 285.373 0.568 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566493490 390623912 /nfs/dbraw/zinc/62/39/12/390623912.db2.gz TWZZFOJYMJYOST-SNVBAGLBSA-N 1 2 285.373 0.568 20 30 CCEDLO CCOC(=O)CCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566424564 390602373 /nfs/dbraw/zinc/60/23/73/390602373.db2.gz YGDMRSVLNPPTHG-UHFFFAOYSA-N 1 2 267.329 0.388 20 30 CCEDLO C[C@@H](OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1nccn1C ZINC000568518374 390714279 /nfs/dbraw/zinc/71/42/79/390714279.db2.gz BJBWPVSQAYHPGW-RISCZKNCSA-N 1 2 293.371 0.458 20 30 CCEDLO CN(CC[NH2+]CCC#N)S(=O)(=O)c1ccc(F)cc1 ZINC000568621417 390714731 /nfs/dbraw/zinc/71/47/31/390714731.db2.gz ZVUQSXREFDSAQG-UHFFFAOYSA-N 1 2 285.344 0.949 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569942694 390716901 /nfs/dbraw/zinc/71/69/01/390716901.db2.gz XARDSVXZFWLEDJ-SECBINFHSA-N 1 2 271.346 0.178 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569942694 390716902 /nfs/dbraw/zinc/71/69/02/390716902.db2.gz XARDSVXZFWLEDJ-SECBINFHSA-N 1 2 271.346 0.178 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@H]2CCO)CCC1 ZINC000526283516 390681523 /nfs/dbraw/zinc/68/15/23/390681523.db2.gz NDSBKGORYCGLQC-LLVKDONJSA-N 1 2 283.397 0.349 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)CCC1 ZINC000526283516 390681525 /nfs/dbraw/zinc/68/15/25/390681525.db2.gz NDSBKGORYCGLQC-LLVKDONJSA-N 1 2 283.397 0.349 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528625201 390764063 /nfs/dbraw/zinc/76/40/63/390764063.db2.gz WXVGLWYZVDITGZ-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528625201 390764065 /nfs/dbraw/zinc/76/40/65/390764065.db2.gz WXVGLWYZVDITGZ-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC000528830601 390780248 /nfs/dbraw/zinc/78/02/48/390780248.db2.gz CHVJQEVUSSPIGQ-MJBXVCDLSA-N 1 2 274.320 0.771 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC000528830601 390780250 /nfs/dbraw/zinc/78/02/50/390780250.db2.gz CHVJQEVUSSPIGQ-MJBXVCDLSA-N 1 2 274.320 0.771 20 30 CCEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C ZINC000578135346 390866420 /nfs/dbraw/zinc/86/64/20/390866420.db2.gz BRJMSNAATGSUDA-GFCCVEGCSA-N 1 2 265.317 0.002 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000531192540 390877843 /nfs/dbraw/zinc/87/78/43/390877843.db2.gz XSXQVULFBFFDIJ-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000531192540 390877846 /nfs/dbraw/zinc/87/78/46/390877846.db2.gz XSXQVULFBFFDIJ-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330202774 533370618 /nfs/dbraw/zinc/37/06/18/533370618.db2.gz ZTIFQVDCQFQCAH-RYUDHWBXSA-N 1 2 294.355 0.459 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)cc1 ZINC000263839397 131343260 /nfs/dbraw/zinc/34/32/60/131343260.db2.gz CJNUCFORGMYOTM-UHFFFAOYSA-N 1 2 273.336 0.962 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCNC3=O)CC2)cc1 ZINC000269276586 132148656 /nfs/dbraw/zinc/14/86/56/132148656.db2.gz MLUUUCZHGKSLAA-HNNXBMFYSA-N 1 2 284.363 0.564 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCNC3=O)CC2)cc1 ZINC000269276586 132148658 /nfs/dbraw/zinc/14/86/58/132148658.db2.gz MLUUUCZHGKSLAA-HNNXBMFYSA-N 1 2 284.363 0.564 20 30 CCEDLO Cn1ncc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1C#N ZINC000356521260 144011019 /nfs/dbraw/zinc/01/10/19/144011019.db2.gz SJLMQAMBYAWTMT-SNVBAGLBSA-N 1 2 284.323 0.796 20 30 CCEDLO N#Cc1cccc(CN2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000359020602 144190568 /nfs/dbraw/zinc/19/05/68/144190568.db2.gz XVEBDNUNDHIBMK-CYBMUJFWSA-N 1 2 295.302 0.944 20 30 CCEDLO N#Cc1cccc(CN2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)c1 ZINC000359020602 144190569 /nfs/dbraw/zinc/19/05/69/144190569.db2.gz XVEBDNUNDHIBMK-CYBMUJFWSA-N 1 2 295.302 0.944 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)nn1 ZINC000653611665 412324491 /nfs/dbraw/zinc/32/44/91/412324491.db2.gz HXHCXGKDEQUYRZ-CYBMUJFWSA-N 1 2 266.345 0.437 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)[C@@]2(CO)CCOC2)nn1 ZINC000653611665 412324496 /nfs/dbraw/zinc/32/44/96/412324496.db2.gz HXHCXGKDEQUYRZ-CYBMUJFWSA-N 1 2 266.345 0.437 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000653749856 412342106 /nfs/dbraw/zinc/34/21/06/412342106.db2.gz DEVMEQOOENRPFB-VXGBXAGGSA-N 1 2 252.318 0.046 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)nn1 ZINC000653749856 412342109 /nfs/dbraw/zinc/34/21/09/412342109.db2.gz DEVMEQOOENRPFB-VXGBXAGGSA-N 1 2 252.318 0.046 20 30 CCEDLO O=C(C#Cc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000035609672 172294843 /nfs/dbraw/zinc/29/48/43/172294843.db2.gz HJAWCNIXNOTHQU-UHFFFAOYSA-N 1 2 258.321 0.175 20 30 CCEDLO C=CC[N@H+](Cc1nc(N)nc(N)n1)[C@H](C)COC ZINC000661245537 414583574 /nfs/dbraw/zinc/58/35/74/414583574.db2.gz BNSINZQFWSELHD-MRVPVSSYSA-N 1 2 252.322 0.059 20 30 CCEDLO C=CC[N@@H+](Cc1nc(N)nc(N)n1)[C@H](C)COC ZINC000661245537 414583577 /nfs/dbraw/zinc/58/35/77/414583577.db2.gz BNSINZQFWSELHD-MRVPVSSYSA-N 1 2 252.322 0.059 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661580110 414645264 /nfs/dbraw/zinc/64/52/64/414645264.db2.gz RPLINVWOQOUZBZ-LBPRGKRZSA-N 1 2 273.402 0.212 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCCn1cc[nH+]c1 ZINC000665106371 415536133 /nfs/dbraw/zinc/53/61/33/415536133.db2.gz NTTZWNCQYROSFV-ZDUSSCGKSA-N 1 2 278.356 0.860 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665379583 415624332 /nfs/dbraw/zinc/62/43/32/415624332.db2.gz SXLWMFXNLLPJGK-JSGCOSHPSA-N 1 2 268.357 0.247 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000347037349 226021897 /nfs/dbraw/zinc/02/18/97/226021897.db2.gz TXIDLOFCCUMWRR-LLVKDONJSA-N 1 2 291.273 0.548 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000347037349 226021899 /nfs/dbraw/zinc/02/18/99/226021899.db2.gz TXIDLOFCCUMWRR-LLVKDONJSA-N 1 2 291.273 0.548 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCOCC2(CC2)C1 ZINC000329260014 227391322 /nfs/dbraw/zinc/39/13/22/227391322.db2.gz ATWZSOVUJQCWEI-UHFFFAOYSA-N 1 2 264.329 0.947 20 30 CCEDLO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000329019415 227260115 /nfs/dbraw/zinc/26/01/15/227260115.db2.gz LHQRHXFAJCWPBM-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000329019415 227260119 /nfs/dbraw/zinc/26/01/19/227260119.db2.gz LHQRHXFAJCWPBM-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000329019415 227260122 /nfs/dbraw/zinc/26/01/22/227260122.db2.gz LHQRHXFAJCWPBM-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000329019415 227260128 /nfs/dbraw/zinc/26/01/28/227260128.db2.gz LHQRHXFAJCWPBM-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO C[C@@H](CNC(=O)NC1CCOCC1)[NH+]1CCOCC1 ZINC000328880817 545019725 /nfs/dbraw/zinc/01/97/25/545019725.db2.gz WDZSUNDIZIOSSN-NSHDSACASA-N 1 2 271.361 0.390 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCO[C@H]1C ZINC000329185636 545021315 /nfs/dbraw/zinc/02/13/15/545021315.db2.gz ANFTXNNKZOQENO-RQJABVFESA-N 1 2 297.399 0.873 20 30 CCEDLO CN(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCN(C)C1=O ZINC000329699538 545024863 /nfs/dbraw/zinc/02/48/63/545024863.db2.gz DEQIGSPDGWDFLU-SKDRFNHKSA-N 1 2 291.355 0.344 20 30 CCEDLO CN(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCN(C)C1=O ZINC000329699538 545024864 /nfs/dbraw/zinc/02/48/64/545024864.db2.gz DEQIGSPDGWDFLU-SKDRFNHKSA-N 1 2 291.355 0.344 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000329787086 545026882 /nfs/dbraw/zinc/02/68/82/545026882.db2.gz YJPOWBOBKILPRK-CYBMUJFWSA-N 1 2 264.329 0.947 20 30 CCEDLO N#Cc1ccc(N[C@H](CO)C[NH+]2CCOCC2)nc1 ZINC000601177721 420492893 /nfs/dbraw/zinc/49/28/93/420492893.db2.gz ZOPAXUJCNMESDS-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2ncncc2C#N)C1 ZINC000400750368 260002149 /nfs/dbraw/zinc/00/21/49/260002149.db2.gz CKVHBTWNCIKOFK-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2ncncc2C#N)C1 ZINC000400750368 260002151 /nfs/dbraw/zinc/00/21/51/260002151.db2.gz CKVHBTWNCIKOFK-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnccn1 ZINC000080966627 260326605 /nfs/dbraw/zinc/32/66/05/260326605.db2.gz DEEDNPURDCPNFT-LLVKDONJSA-N 1 2 261.329 0.669 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnccn1 ZINC000080966627 260326606 /nfs/dbraw/zinc/32/66/06/260326606.db2.gz DEEDNPURDCPNFT-LLVKDONJSA-N 1 2 261.329 0.669 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000129802405 260390092 /nfs/dbraw/zinc/39/00/92/260390092.db2.gz MGDJFEVADLWPQH-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000129802405 260390094 /nfs/dbraw/zinc/39/00/94/260390094.db2.gz MGDJFEVADLWPQH-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@]1(C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000448913917 260673682 /nfs/dbraw/zinc/67/36/82/260673682.db2.gz ANJGOCLULWNTQW-FMSGJZPZSA-N 1 2 265.357 0.762 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000361109981 261161835 /nfs/dbraw/zinc/16/18/35/261161835.db2.gz OPXXEDROEBEYKL-NWDGAFQWSA-N 1 2 257.330 0.747 20 30 CCEDLO CC[C@H](O[NH+]=C(N)c1ccc(OC)cc1)C(N)=O ZINC000159396209 261185630 /nfs/dbraw/zinc/18/56/30/261185630.db2.gz LEDORGVVAVXLJV-JTQLQIEISA-N 1 2 251.286 0.596 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000328384439 261379121 /nfs/dbraw/zinc/37/91/21/261379121.db2.gz IEUZLJOKYWEAMZ-JTQLQIEISA-N 1 2 257.359 0.398 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)C1(C#N)CCOCC1)[NH+]1CCOCC1 ZINC000109143396 261391093 /nfs/dbraw/zinc/39/10/93/261391093.db2.gz MGGBNMRNEGMRHU-QWHCGFSZSA-N 1 2 295.383 0.532 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000364128397 262152517 /nfs/dbraw/zinc/15/25/17/262152517.db2.gz PPMLCJHKEIVQNI-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000364128397 262152519 /nfs/dbraw/zinc/15/25/19/262152519.db2.gz PPMLCJHKEIVQNI-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO COC1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000336826864 262398127 /nfs/dbraw/zinc/39/81/27/262398127.db2.gz XHHYPQMEKVSJHY-ZDUSSCGKSA-N 1 2 276.336 0.823 20 30 CCEDLO COC(=O)c1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000275410318 263033106 /nfs/dbraw/zinc/03/31/06/263033106.db2.gz CJOSFPIOIMERCQ-UHFFFAOYSA-N 1 2 295.295 0.083 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000283089622 263081110 /nfs/dbraw/zinc/08/11/10/263081110.db2.gz WKEBHFRXEJSHPU-MNOVXSKESA-N 1 2 285.373 0.340 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118848670 263086448 /nfs/dbraw/zinc/08/64/48/263086448.db2.gz NQAMSKXNRKPIHN-UHFFFAOYSA-N 1 2 282.369 0.980 20 30 CCEDLO COc1ccncc1CO[NH+]=C(N)CN1CCOCC1 ZINC000288451579 263104430 /nfs/dbraw/zinc/10/44/30/263104430.db2.gz FRXOHJQNKUWHBV-UHFFFAOYSA-N 1 2 280.328 0.211 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)CCOCCC#N)no1 ZINC000293377123 263139727 /nfs/dbraw/zinc/13/97/27/263139727.db2.gz GBCGKWPVOWUMBD-UHFFFAOYSA-N 1 2 266.301 0.784 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)CCOCCC#N)no1 ZINC000293377123 263139728 /nfs/dbraw/zinc/13/97/28/263139728.db2.gz GBCGKWPVOWUMBD-UHFFFAOYSA-N 1 2 266.301 0.784 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC(=O)N1 ZINC000296240569 263188133 /nfs/dbraw/zinc/18/81/33/263188133.db2.gz OXPYLZYPDSKWQF-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(=O)N1 ZINC000296240569 263188135 /nfs/dbraw/zinc/18/81/35/263188135.db2.gz OXPYLZYPDSKWQF-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C#CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045580105 263301055 /nfs/dbraw/zinc/30/10/55/263301055.db2.gz BDQBMKYQPJSTDP-OAHLLOKOSA-N 1 2 287.363 0.992 20 30 CCEDLO Cc1cnn(CCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000341880592 263362126 /nfs/dbraw/zinc/36/21/26/263362126.db2.gz FFLHSEFJQORNBX-UHFFFAOYSA-N 1 2 291.399 0.739 20 30 CCEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416496540 263731235 /nfs/dbraw/zinc/73/12/35/263731235.db2.gz PKRURZBLBCVFGH-QWRGUYRKSA-N 1 2 259.375 0.644 20 30 CCEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416496540 263731237 /nfs/dbraw/zinc/73/12/37/263731237.db2.gz PKRURZBLBCVFGH-QWRGUYRKSA-N 1 2 259.375 0.644 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000529403202 269960221 /nfs/dbraw/zinc/96/02/21/269960221.db2.gz MITOGMUXFNWJOK-UHFFFAOYSA-N 1 2 267.292 0.735 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960630519 649856505 /nfs/dbraw/zinc/85/65/05/649856505.db2.gz OWRXMWPLNRDZHB-SCUASFONSA-N 1 2 285.351 0.015 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960661569 649856971 /nfs/dbraw/zinc/85/69/71/649856971.db2.gz PWOZKTDONKPFAU-SCUASFONSA-N 1 2 285.351 0.015 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCCCC#N)C1 ZINC000330710583 264021018 /nfs/dbraw/zinc/02/10/18/264021018.db2.gz XIIUDUUQGFSQLF-LBPRGKRZSA-N 1 2 267.377 0.430 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCCCC#N)C1 ZINC000330710583 264021021 /nfs/dbraw/zinc/02/10/21/264021021.db2.gz XIIUDUUQGFSQLF-LBPRGKRZSA-N 1 2 267.377 0.430 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000330767894 264033459 /nfs/dbraw/zinc/03/34/59/264033459.db2.gz SBILNHPULJFJNC-VHSXEESVSA-N 1 2 284.360 0.026 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000330767894 264033460 /nfs/dbraw/zinc/03/34/60/264033460.db2.gz SBILNHPULJFJNC-VHSXEESVSA-N 1 2 284.360 0.026 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)C[C@@H](C)C#N ZINC000330786661 264053155 /nfs/dbraw/zinc/05/31/55/264053155.db2.gz WAWFSDHTDLYAGD-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)C[C@@H](C)C#N ZINC000330786661 264053156 /nfs/dbraw/zinc/05/31/56/264053156.db2.gz WAWFSDHTDLYAGD-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO C[C@@](O)(CNC(=O)c1ncccc1O)C[NH+]1CCOCC1 ZINC000330877354 264060824 /nfs/dbraw/zinc/06/08/24/264060824.db2.gz KRBLIPNCIYESHZ-CQSZACIVSA-N 1 2 295.339 0.175 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330905932 264074067 /nfs/dbraw/zinc/07/40/67/264074067.db2.gz NFAXCBWSVDSBBI-IUODEOHRSA-N 1 2 292.383 0.942 20 30 CCEDLO CCNC(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000330947198 264085286 /nfs/dbraw/zinc/08/52/86/264085286.db2.gz HIGJWLYJSNWGPF-UHFFFAOYSA-N 1 2 279.344 0.420 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](CCO)C1 ZINC000330932485 264096420 /nfs/dbraw/zinc/09/64/20/264096420.db2.gz ACLDMZLZGSFDGJ-CYBMUJFWSA-N 1 2 299.415 0.716 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](CCO)C1 ZINC000330932485 264096422 /nfs/dbraw/zinc/09/64/22/264096422.db2.gz ACLDMZLZGSFDGJ-CYBMUJFWSA-N 1 2 299.415 0.716 20 30 CCEDLO CCOC(=O)C1([N@H+](C)CC(=O)NC(=O)NC)CCCCC1 ZINC000331067276 264112262 /nfs/dbraw/zinc/11/22/62/264112262.db2.gz GMASQOCETOTEEF-UHFFFAOYSA-N 1 2 299.371 0.844 20 30 CCEDLO CCOC(=O)C1([N@@H+](C)CC(=O)NC(=O)NC)CCCCC1 ZINC000331067276 264112263 /nfs/dbraw/zinc/11/22/63/264112263.db2.gz GMASQOCETOTEEF-UHFFFAOYSA-N 1 2 299.371 0.844 20 30 CCEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC000331150724 264139594 /nfs/dbraw/zinc/13/95/94/264139594.db2.gz OKIWFOLBKZDHRS-JTQLQIEISA-N 1 2 264.329 0.899 20 30 CCEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC000331150724 264139595 /nfs/dbraw/zinc/13/95/95/264139595.db2.gz OKIWFOLBKZDHRS-JTQLQIEISA-N 1 2 264.329 0.899 20 30 CCEDLO Cc1cc(C)c(NC(=O)N(CCO)CCO)c(C)[nH+]1 ZINC000331226739 264150630 /nfs/dbraw/zinc/15/06/30/264150630.db2.gz CXRZBIMOJOESMC-UHFFFAOYSA-N 1 2 267.329 0.839 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000334033102 264234218 /nfs/dbraw/zinc/23/42/18/264234218.db2.gz RCORRNBDLMNASG-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000334033102 264234219 /nfs/dbraw/zinc/23/42/19/264234219.db2.gz RCORRNBDLMNASG-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO COc1cc[nH+]c(CN2CCO[C@H](C#N)C2)c1OC ZINC000188666976 264234997 /nfs/dbraw/zinc/23/49/97/264234997.db2.gz GFIJRQUNGNVZJF-SNVBAGLBSA-N 1 2 263.297 0.823 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907120 264420090 /nfs/dbraw/zinc/42/00/90/264420090.db2.gz ZPWGYUKGZKCUFF-JTQLQIEISA-N 1 2 282.344 0.083 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185189582 265001084 /nfs/dbraw/zinc/00/10/84/265001084.db2.gz IGGIMXAXSVIAMF-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185189582 265001088 /nfs/dbraw/zinc/00/10/88/265001088.db2.gz IGGIMXAXSVIAMF-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC000518998391 265289478 /nfs/dbraw/zinc/28/94/78/265289478.db2.gz IWPPCTMHWSPRFF-AAEUAGOBSA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC000518998391 265289482 /nfs/dbraw/zinc/28/94/82/265289482.db2.gz IWPPCTMHWSPRFF-AAEUAGOBSA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356761387 266170305 /nfs/dbraw/zinc/17/03/05/266170305.db2.gz DSTNYVRORFGENO-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356859305 266195296 /nfs/dbraw/zinc/19/52/96/266195296.db2.gz KGQULHKFPVYUMT-HNNXBMFYSA-N 1 2 290.363 0.796 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356874651 266201733 /nfs/dbraw/zinc/20/17/33/266201733.db2.gz PVGMPPBKXSXNCA-CYBMUJFWSA-N 1 2 291.351 0.191 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1=O ZINC000357678977 266346015 /nfs/dbraw/zinc/34/60/15/266346015.db2.gz STVULERKYSETQN-LLVKDONJSA-N 1 2 276.340 0.588 20 30 CCEDLO CC#CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336629259 276932012 /nfs/dbraw/zinc/93/20/12/276932012.db2.gz MFQUPFJMRFRSNW-CHWSQXEVSA-N 1 2 265.357 0.514 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCCO3)C[C@@H]21 ZINC000329632192 290088048 /nfs/dbraw/zinc/08/80/48/290088048.db2.gz WFOUOKXYWZJWIC-FRRDWIJNSA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCCO3)C[C@@H]21 ZINC000329632192 290088050 /nfs/dbraw/zinc/08/80/50/290088050.db2.gz WFOUOKXYWZJWIC-FRRDWIJNSA-N 1 2 283.372 0.484 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412068128 328102565 /nfs/dbraw/zinc/10/25/65/328102565.db2.gz HVTSAHKEHIDJFP-MELADBBJSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412068128 328102566 /nfs/dbraw/zinc/10/25/66/328102566.db2.gz HVTSAHKEHIDJFP-MELADBBJSA-N 1 2 282.384 0.657 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000267249604 328175845 /nfs/dbraw/zinc/17/58/45/328175845.db2.gz YYIPEDRXTRIQJL-GFCCVEGCSA-N 1 2 270.292 0.628 20 30 CCEDLO COCCCn1nccc1C[NH+]1CCN(CC#N)CC1 ZINC000282886574 328243809 /nfs/dbraw/zinc/24/38/09/328243809.db2.gz XHLSFVIRHVPPOD-UHFFFAOYSA-N 1 2 277.372 0.561 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340742271 328399170 /nfs/dbraw/zinc/39/91/70/328399170.db2.gz KPYVLCZANXVSHA-RYUDHWBXSA-N 1 2 266.345 0.755 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000112920608 328451596 /nfs/dbraw/zinc/45/15/96/328451596.db2.gz VQECYQBCGSBYKM-UHFFFAOYSA-N 1 2 271.364 0.900 20 30 CCEDLO N#CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000331140625 328477397 /nfs/dbraw/zinc/47/73/97/328477397.db2.gz KETQCXHFZOOZLS-ZDUSSCGKSA-N 1 2 298.412 0.612 20 30 CCEDLO CCC[N@H+](CC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747917 327127521 /nfs/dbraw/zinc/12/75/21/327127521.db2.gz USUBALAYINWTRN-LLVKDONJSA-N 1 2 267.289 0.388 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747917 327127522 /nfs/dbraw/zinc/12/75/22/327127522.db2.gz USUBALAYINWTRN-LLVKDONJSA-N 1 2 267.289 0.388 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000569549339 327197102 /nfs/dbraw/zinc/19/71/02/327197102.db2.gz IDBSVWTYPBPHII-KGLIPLIRSA-N 1 2 297.399 0.599 20 30 CCEDLO CCCc1nc(CO[NH+]=C(N)CN2CCOCC2)no1 ZINC000111181765 327277225 /nfs/dbraw/zinc/27/72/25/327277225.db2.gz ONSBLECRPIHQRZ-UHFFFAOYSA-N 1 2 283.332 0.143 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377763759 329028445 /nfs/dbraw/zinc/02/84/45/329028445.db2.gz WSCIEHMMZIVYRE-NSHDSACASA-N 1 2 297.384 0.425 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378569661 329055136 /nfs/dbraw/zinc/05/51/36/329055136.db2.gz LVYTWBLAFSATRC-LLVKDONJSA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378569661 329055138 /nfs/dbraw/zinc/05/51/38/329055138.db2.gz LVYTWBLAFSATRC-LLVKDONJSA-N 1 2 297.355 0.416 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000184437879 329257910 /nfs/dbraw/zinc/25/79/10/329257910.db2.gz XEJGPGRULPZCFK-ZDUSSCGKSA-N 1 2 288.413 0.546 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCSCC#N ZINC000189593145 329383804 /nfs/dbraw/zinc/38/38/04/329383804.db2.gz ROIHGDANEYBIFQ-WDEREUQCSA-N 1 2 272.370 0.632 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCSCC#N ZINC000189593145 329383802 /nfs/dbraw/zinc/38/38/02/329383802.db2.gz ROIHGDANEYBIFQ-WDEREUQCSA-N 1 2 272.370 0.632 20 30 CCEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC000425211586 329640541 /nfs/dbraw/zinc/64/05/41/329640541.db2.gz XWUPZYOGWFDYSN-LLVKDONJSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000079954618 330072173 /nfs/dbraw/zinc/07/21/73/330072173.db2.gz ASFRLZSPJCEQPM-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000079954618 330072175 /nfs/dbraw/zinc/07/21/75/330072175.db2.gz ASFRLZSPJCEQPM-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1CC1 ZINC000274180675 330103841 /nfs/dbraw/zinc/10/38/41/330103841.db2.gz OUVODYRSUKKLDE-SMDDNHRTSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1CC1 ZINC000274180675 330103840 /nfs/dbraw/zinc/10/38/40/330103840.db2.gz OUVODYRSUKKLDE-SMDDNHRTSA-N 1 2 280.368 0.788 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000081517925 330212444 /nfs/dbraw/zinc/21/24/44/330212444.db2.gz XYWYOXBYTOXZGA-UHFFFAOYSA-N 1 2 278.312 0.841 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517925 330212446 /nfs/dbraw/zinc/21/24/46/330212446.db2.gz XYWYOXBYTOXZGA-UHFFFAOYSA-N 1 2 278.312 0.841 20 30 CCEDLO C#CC[N@@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108865848 330358103 /nfs/dbraw/zinc/35/81/03/330358103.db2.gz KHCUBNSJCKCTIO-LBPRGKRZSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108865848 330358104 /nfs/dbraw/zinc/35/81/04/330358104.db2.gz KHCUBNSJCKCTIO-LBPRGKRZSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000119076213 330369955 /nfs/dbraw/zinc/36/99/55/330369955.db2.gz QIHOVNONAWZOPP-CYBMUJFWSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000119076213 330369956 /nfs/dbraw/zinc/36/99/56/330369956.db2.gz QIHOVNONAWZOPP-CYBMUJFWSA-N 1 2 273.398 0.924 20 30 CCEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516699375 330475232 /nfs/dbraw/zinc/47/52/32/330475232.db2.gz LNOZYOZFBRDZIC-YDHLFZDLSA-N 1 2 297.399 0.921 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219706 331186695 /nfs/dbraw/zinc/18/66/95/331186695.db2.gz VFJCXKLJSXFQQZ-MELADBBJSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219706 331186696 /nfs/dbraw/zinc/18/66/96/331186696.db2.gz VFJCXKLJSXFQQZ-MELADBBJSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000456770323 331202189 /nfs/dbraw/zinc/20/21/89/331202189.db2.gz RVPHHPZJHXHCEE-CABCVRRESA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000456770323 331202190 /nfs/dbraw/zinc/20/21/90/331202190.db2.gz RVPHHPZJHXHCEE-CABCVRRESA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000490627311 332096704 /nfs/dbraw/zinc/09/67/04/332096704.db2.gz BMXFQFKALISXDK-CYBMUJFWSA-N 1 2 264.373 0.041 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)CC1 ZINC000490829406 332118198 /nfs/dbraw/zinc/11/81/98/332118198.db2.gz BEABCGQLOAAQPQ-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)CC1 ZINC000490829406 332118200 /nfs/dbraw/zinc/11/82/00/332118200.db2.gz BEABCGQLOAAQPQ-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@H+](C)CCCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000491067543 332144712 /nfs/dbraw/zinc/14/47/12/332144712.db2.gz JCTBHFDBXLJADQ-SECBINFHSA-N 1 2 286.319 0.812 20 30 CCEDLO C#CC[N@@H+](C)CCCNS(=O)(=O)[C@H](C)C(F)(F)F ZINC000491067543 332144710 /nfs/dbraw/zinc/14/47/10/332144710.db2.gz JCTBHFDBXLJADQ-SECBINFHSA-N 1 2 286.319 0.812 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000491201363 332164610 /nfs/dbraw/zinc/16/46/10/332164610.db2.gz GXVVNKZDBHTVLK-UHFFFAOYSA-N 1 2 291.311 0.210 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C(CC)(CC)C(=O)OCC ZINC000491210201 332166748 /nfs/dbraw/zinc/16/67/48/332166748.db2.gz RBYBYZOTZZZZSK-UHFFFAOYSA-N 1 2 268.357 0.837 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000491376265 332200584 /nfs/dbraw/zinc/20/05/84/332200584.db2.gz ZFRSMLLISSLTNE-RBSFLKMASA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000491376265 332200585 /nfs/dbraw/zinc/20/05/85/332200585.db2.gz ZFRSMLLISSLTNE-RBSFLKMASA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000491689286 332286588 /nfs/dbraw/zinc/28/65/88/332286588.db2.gz HRJFJEOJMFEWGP-UONOGXRCSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000491689286 332286590 /nfs/dbraw/zinc/28/65/90/332286590.db2.gz HRJFJEOJMFEWGP-UONOGXRCSA-N 1 2 261.321 0.760 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491707809 332300360 /nfs/dbraw/zinc/30/03/60/332300360.db2.gz TUVZXQMGEWTYCJ-UHFFFAOYSA-N 1 2 261.281 0.372 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491707809 332300361 /nfs/dbraw/zinc/30/03/61/332300361.db2.gz TUVZXQMGEWTYCJ-UHFFFAOYSA-N 1 2 261.281 0.372 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000491786091 332348869 /nfs/dbraw/zinc/34/88/69/332348869.db2.gz OGIKJEVGJRETDA-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000491786091 332348871 /nfs/dbraw/zinc/34/88/71/332348871.db2.gz OGIKJEVGJRETDA-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C=CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000493071706 332425171 /nfs/dbraw/zinc/42/51/71/332425171.db2.gz PHRIIMXQBWXGRL-PGLGOXFNSA-N 1 2 295.364 0.625 20 30 CCEDLO CCn1nccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493708456 332450633 /nfs/dbraw/zinc/45/06/33/332450633.db2.gz ADWSLKNHRWJBLB-UZYOAWRESA-N 1 2 275.356 0.876 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\[C@H]1CCOC1 ZINC000493725202 332451492 /nfs/dbraw/zinc/45/14/92/332451492.db2.gz POJTVHNSKKBMPR-PYIQSQQJSA-N 1 2 251.330 0.539 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OC ZINC000496616524 332554813 /nfs/dbraw/zinc/55/48/13/332554813.db2.gz ISKLSLOUMHWSGU-LBPRGKRZSA-N 1 2 282.340 0.762 20 30 CCEDLO N#C[C@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCOC1 ZINC000547813321 334121381 /nfs/dbraw/zinc/12/13/81/334121381.db2.gz CLQOEVRWZYZXGB-CYBMUJFWSA-N 1 2 256.265 0.747 20 30 CCEDLO N#CCC1(O)CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000548330730 334151244 /nfs/dbraw/zinc/15/12/44/334151244.db2.gz LEXMUVHYEXHIKF-UHFFFAOYSA-N 1 2 270.292 0.364 20 30 CCEDLO Cc1cc(=NC(=O)Cn2cc[nH+]c2)[nH]n1CCC#N ZINC000551993618 334271372 /nfs/dbraw/zinc/27/13/72/334271372.db2.gz YWILMOUQOVEOCS-UHFFFAOYSA-N 1 2 258.285 0.362 20 30 CCEDLO N#CCCC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247972883 334292738 /nfs/dbraw/zinc/29/27/38/334292738.db2.gz JURXQKVKROJBHO-QWHCGFSZSA-N 1 2 286.397 0.958 20 30 CCEDLO N#CCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247972883 334292740 /nfs/dbraw/zinc/29/27/40/334292740.db2.gz JURXQKVKROJBHO-QWHCGFSZSA-N 1 2 286.397 0.958 20 30 CCEDLO COCCn1nnc2c1CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000577400443 335348842 /nfs/dbraw/zinc/34/88/42/335348842.db2.gz RBJNDNXVXZAUOD-NSHDSACASA-N 1 2 263.345 0.975 20 30 CCEDLO COCCn1nnc2c1CC[N@H+]([C@@H](C)CCC#N)C2 ZINC000577400443 335348843 /nfs/dbraw/zinc/34/88/43/335348843.db2.gz RBJNDNXVXZAUOD-NSHDSACASA-N 1 2 263.345 0.975 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000494817112 517470049 /nfs/dbraw/zinc/47/00/49/517470049.db2.gz YAUVPPBKDDUJIV-UHIISALHSA-N 1 2 292.387 0.909 20 30 CCEDLO Cn1nnc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000330207691 534324501 /nfs/dbraw/zinc/32/45/01/534324501.db2.gz ANCQRSUCBBSGEM-VIFPVBQESA-N 1 2 290.331 0.227 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355028990 526519384 /nfs/dbraw/zinc/51/93/84/526519384.db2.gz IGWPCRLTIBVKBD-UHFFFAOYSA-N 1 2 284.404 0.614 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355028990 526519388 /nfs/dbraw/zinc/51/93/88/526519388.db2.gz IGWPCRLTIBVKBD-UHFFFAOYSA-N 1 2 284.404 0.614 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000347716483 527717884 /nfs/dbraw/zinc/71/78/84/527717884.db2.gz KHZNWZQSACFPQT-OAHLLOKOSA-N 1 2 272.348 0.875 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000347716483 527717888 /nfs/dbraw/zinc/71/78/88/527717888.db2.gz KHZNWZQSACFPQT-OAHLLOKOSA-N 1 2 272.348 0.875 20 30 CCEDLO CCN(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000344404905 527731674 /nfs/dbraw/zinc/73/16/74/527731674.db2.gz FAHRXPVODIMBMR-UHFFFAOYSA-N 1 2 268.361 0.606 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669287901 545204297 /nfs/dbraw/zinc/20/42/97/545204297.db2.gz ADABBQVUSQKXIT-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425246930 528371225 /nfs/dbraw/zinc/37/12/25/528371225.db2.gz MXFFZPSNRLXWGG-GFCCVEGCSA-N 1 2 294.380 0.780 20 30 CCEDLO CC[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CCCO1 ZINC000329226983 529259234 /nfs/dbraw/zinc/25/92/34/529259234.db2.gz HTLLXQKBMXWJDI-ZDUSSCGKSA-N 1 2 285.388 0.734 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000353236788 529347425 /nfs/dbraw/zinc/34/74/25/529347425.db2.gz UNIGJNLUFIWWMV-CQSZACIVSA-N 1 2 290.371 0.362 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000677048167 545357232 /nfs/dbraw/zinc/35/72/32/545357232.db2.gz OHSKMUKULGAXGF-STQMWFEESA-N 1 2 268.357 0.247 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2[nH]c3ccccc3[nH+]2)c1=O ZINC000058268718 536017065 /nfs/dbraw/zinc/01/70/65/536017065.db2.gz GNOJQIDYDOYSGV-UHFFFAOYSA-N 1 2 295.302 0.826 20 30 CCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NCC#N ZINC000745087871 581170183 /nfs/dbraw/zinc/17/01/83/581170183.db2.gz SJIAXBQFXJGBRA-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NCC#N ZINC000745087871 581170187 /nfs/dbraw/zinc/17/01/87/581170187.db2.gz SJIAXBQFXJGBRA-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000779333803 581181176 /nfs/dbraw/zinc/18/11/76/581181176.db2.gz AXKJCATWHVMHPK-AVGNSLFASA-N 1 2 250.342 0.504 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000779333803 581181178 /nfs/dbraw/zinc/18/11/78/581181178.db2.gz AXKJCATWHVMHPK-AVGNSLFASA-N 1 2 250.342 0.504 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382460 581185700 /nfs/dbraw/zinc/18/57/00/581185700.db2.gz BJYMBQFMGWGOHA-DYEKYZERSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382460 581185702 /nfs/dbraw/zinc/18/57/02/581185702.db2.gz BJYMBQFMGWGOHA-DYEKYZERSA-N 1 2 281.356 0.285 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000791367888 581218252 /nfs/dbraw/zinc/21/82/52/581218252.db2.gz SZQGVXKTPUZQRW-ZDUSSCGKSA-N 1 2 275.352 0.835 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780855268 581246223 /nfs/dbraw/zinc/24/62/23/581246223.db2.gz IDZINWXJFZVEKK-AWEZNQCLSA-N 1 2 284.319 0.984 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCNC(=O)C1 ZINC000726791055 581251831 /nfs/dbraw/zinc/25/18/31/581251831.db2.gz HXNJHAIVNSNNOO-UHFFFAOYSA-N 1 2 251.330 0.009 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCNC(=O)C1 ZINC000726791055 581251832 /nfs/dbraw/zinc/25/18/32/581251832.db2.gz HXNJHAIVNSNNOO-UHFFFAOYSA-N 1 2 251.330 0.009 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000782590476 581310771 /nfs/dbraw/zinc/31/07/71/581310771.db2.gz DNDPVVMEISPBQE-FZMZJTMJSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000782590476 581310773 /nfs/dbraw/zinc/31/07/73/581310773.db2.gz DNDPVVMEISPBQE-FZMZJTMJSA-N 1 2 273.336 0.754 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000728566095 581364377 /nfs/dbraw/zinc/36/43/77/581364377.db2.gz BRSWMWFDZBLYLR-UHFFFAOYSA-N 1 2 276.315 0.092 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)CCn1cc[nH+]c1 ZINC000751367674 581365355 /nfs/dbraw/zinc/36/53/55/581365355.db2.gz KKYOOVRONDIWIJ-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667361 581382892 /nfs/dbraw/zinc/38/28/92/581382892.db2.gz ONIUQGJEHHEIAZ-SWLSCSKDSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667361 581382893 /nfs/dbraw/zinc/38/28/93/581382893.db2.gz ONIUQGJEHHEIAZ-SWLSCSKDSA-N 1 2 289.335 0.557 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccn(C)c1=O ZINC000733960566 581535732 /nfs/dbraw/zinc/53/57/32/581535732.db2.gz YQTAHKWOJVKYHX-LBPRGKRZSA-N 1 2 259.309 0.421 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccn(C)c1=O ZINC000733960566 581535735 /nfs/dbraw/zinc/53/57/35/581535735.db2.gz YQTAHKWOJVKYHX-LBPRGKRZSA-N 1 2 259.309 0.421 20 30 CCEDLO C#CCOCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000753378152 581537604 /nfs/dbraw/zinc/53/76/04/581537604.db2.gz LIFLGTBHPWVXAV-UHFFFAOYSA-N 1 2 262.313 0.367 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000729050006 581544183 /nfs/dbraw/zinc/54/41/83/581544183.db2.gz SMEIUGBPQBWWOD-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000729050006 581544186 /nfs/dbraw/zinc/54/41/86/581544186.db2.gz SMEIUGBPQBWWOD-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO Cc1cc[nH+]c(N2CCN(CC(=O)NCCC#N)CC2)c1 ZINC000766166607 581556055 /nfs/dbraw/zinc/55/60/55/581556055.db2.gz QGVQKNKBIIQAOW-UHFFFAOYSA-N 1 2 287.367 0.542 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767113896 581597335 /nfs/dbraw/zinc/59/73/35/581597335.db2.gz YMMXNAZSBJCDQJ-WDEREUQCSA-N 1 2 284.381 0.105 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767113896 581597336 /nfs/dbraw/zinc/59/73/36/581597336.db2.gz YMMXNAZSBJCDQJ-WDEREUQCSA-N 1 2 284.381 0.105 20 30 CCEDLO CNC(=O)CC[N@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739912864 581634272 /nfs/dbraw/zinc/63/42/72/581634272.db2.gz WMJGNWDEMFLQSF-AWEZNQCLSA-N 1 2 289.335 0.840 20 30 CCEDLO CNC(=O)CC[N@@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739912864 581634276 /nfs/dbraw/zinc/63/42/76/581634276.db2.gz WMJGNWDEMFLQSF-AWEZNQCLSA-N 1 2 289.335 0.840 20 30 CCEDLO C#CC[N@@H+](CCS(N)(=O)=O)[C@@H]1CCc2ccccc21 ZINC000735920674 581674193 /nfs/dbraw/zinc/67/41/93/581674193.db2.gz WXKJFIOZKHCNEG-CQSZACIVSA-N 1 2 278.377 0.898 20 30 CCEDLO C#CC[N@H+](CCS(N)(=O)=O)[C@@H]1CCc2ccccc21 ZINC000735920674 581674197 /nfs/dbraw/zinc/67/41/97/581674197.db2.gz WXKJFIOZKHCNEG-CQSZACIVSA-N 1 2 278.377 0.898 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000756937516 581685738 /nfs/dbraw/zinc/68/57/38/581685738.db2.gz XUXDEOMIOWBYCB-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OCCCC ZINC000730286274 581692637 /nfs/dbraw/zinc/69/26/37/581692637.db2.gz ICRWBENRRUMVAN-LBPRGKRZSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OCCCC ZINC000730286274 581692638 /nfs/dbraw/zinc/69/26/38/581692638.db2.gz ICRWBENRRUMVAN-LBPRGKRZSA-N 1 2 266.341 0.544 20 30 CCEDLO COCCC[N@H+](CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000758189540 581696232 /nfs/dbraw/zinc/69/62/32/581696232.db2.gz AYDCPVCKIBAFJT-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO COCCC[N@@H+](CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000758189540 581696235 /nfs/dbraw/zinc/69/62/35/581696235.db2.gz AYDCPVCKIBAFJT-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO C#CCCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000758434688 581746008 /nfs/dbraw/zinc/74/60/08/581746008.db2.gz XRUXVLYKFSQLIV-UHFFFAOYSA-N 1 2 269.414 0.586 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000731843743 581783354 /nfs/dbraw/zinc/78/33/54/581783354.db2.gz WTXZLHNYHWVGTL-WPRPVWTQSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000731843743 581783356 /nfs/dbraw/zinc/78/33/56/581783356.db2.gz WTXZLHNYHWVGTL-WPRPVWTQSA-N 1 2 264.247 0.123 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000742763526 581795376 /nfs/dbraw/zinc/79/53/76/581795376.db2.gz HSUQWXCSQCJDAA-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000759814093 581825445 /nfs/dbraw/zinc/82/54/45/581825445.db2.gz HCPLKQXHSQJKPT-SNVBAGLBSA-N 1 2 277.324 0.830 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H]2CCCOC2)CC1 ZINC000772115969 581843584 /nfs/dbraw/zinc/84/35/84/581843584.db2.gz KZJUBGCCYAWPCM-AWEZNQCLSA-N 1 2 293.363 0.871 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000761044475 581883654 /nfs/dbraw/zinc/88/36/54/581883654.db2.gz BZNODMQLFQKTLJ-UHFFFAOYSA-N 1 2 291.330 0.373 20 30 CCEDLO C#CCNS(=O)(=O)N1CC[NH+](CC=C(C)C)CC1 ZINC000761033489 581884033 /nfs/dbraw/zinc/88/40/33/581884033.db2.gz XSQHARBPEBGJFB-UHFFFAOYSA-N 1 2 271.386 0.038 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000755178241 581895716 /nfs/dbraw/zinc/89/57/16/581895716.db2.gz NKJFPTWDJHZLKB-LBPRGKRZSA-N 1 2 283.335 0.667 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773238701 581917121 /nfs/dbraw/zinc/91/71/21/581917121.db2.gz WOHSINNKMUTSKD-RWMBFGLXSA-N 1 2 276.340 0.752 20 30 CCEDLO Cn1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)nn1 ZINC000761839703 581921937 /nfs/dbraw/zinc/92/19/37/581921937.db2.gz UJRQVCXMXQCKCP-UHFFFAOYSA-N 1 2 269.272 0.237 20 30 CCEDLO C=CC[N@H+](CCC1OCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748049924 581960709 /nfs/dbraw/zinc/96/07/09/581960709.db2.gz XKMZONWWIYUBAI-LBPRGKRZSA-N 1 2 289.397 0.815 20 30 CCEDLO C=CC[N@@H+](CCC1OCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748049924 581960710 /nfs/dbraw/zinc/96/07/10/581960710.db2.gz XKMZONWWIYUBAI-LBPRGKRZSA-N 1 2 289.397 0.815 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000749522506 582011238 /nfs/dbraw/zinc/01/12/38/582011238.db2.gz AXAYOOIDMZVNDA-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC000749994683 582029729 /nfs/dbraw/zinc/02/97/29/582029729.db2.gz WNMZFWYPXUCLII-GFCCVEGCSA-N 1 2 260.341 0.301 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000775804474 582040269 /nfs/dbraw/zinc/04/02/69/582040269.db2.gz AAZRUEIZKMFUBN-KKUMJFAQSA-N 1 2 283.331 0.855 20 30 CCEDLO Nc1[nH+]cccc1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000764666925 582062256 /nfs/dbraw/zinc/06/22/56/582062256.db2.gz VKYPVXIRUSRGBK-JTQLQIEISA-N 1 2 279.369 0.641 20 30 CCEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NCCC#N ZINC000776603509 582084182 /nfs/dbraw/zinc/08/41/82/582084182.db2.gz RPQJJCRJUFCDMF-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NCCC#N ZINC000776603509 582084184 /nfs/dbraw/zinc/08/41/84/582084184.db2.gz RPQJJCRJUFCDMF-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826569765 612945706 /nfs/dbraw/zinc/94/57/06/612945706.db2.gz RYLJQTNZWMEUCE-OAHLLOKOSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826569765 612945707 /nfs/dbraw/zinc/94/57/07/612945707.db2.gz RYLJQTNZWMEUCE-OAHLLOKOSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000892871111 613010103 /nfs/dbraw/zinc/01/01/03/613010103.db2.gz PAZKCPOWGZALON-GFCCVEGCSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000931146344 612952737 /nfs/dbraw/zinc/95/27/37/612952737.db2.gz KVSVHMJJQJWJNL-CYBMUJFWSA-N 1 2 276.311 0.812 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCCNc1cccc[nH+]1 ZINC000859030521 613063222 /nfs/dbraw/zinc/06/32/22/613063222.db2.gz IHTBWAZRNKXPNS-GFCCVEGCSA-N 1 2 276.340 0.831 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H]1CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624585 613107759 /nfs/dbraw/zinc/10/77/59/613107759.db2.gz GSMMPLGSBQGOJF-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCC[C@@H]1CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624585 613107761 /nfs/dbraw/zinc/10/77/61/613107761.db2.gz GSMMPLGSBQGOJF-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898893490 612967486 /nfs/dbraw/zinc/96/74/86/612967486.db2.gz DCGPAXXJUFGWOM-LBPRGKRZSA-N 1 2 259.309 0.233 20 30 CCEDLO C#CCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866548486 612977109 /nfs/dbraw/zinc/97/71/09/612977109.db2.gz VHJZNTFDTSHKMK-VOTSOKGWSA-N 1 2 250.342 0.795 20 30 CCEDLO C#CCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870063159 612974809 /nfs/dbraw/zinc/97/48/09/612974809.db2.gz VTPKHIBUWIZECZ-CQSZACIVSA-N 1 2 280.368 0.350 20 30 CCEDLO C#CCCCCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000877838663 612976709 /nfs/dbraw/zinc/97/67/09/612976709.db2.gz LXXAELWALCEMAB-UHFFFAOYSA-N 1 2 267.373 0.364 20 30 CCEDLO C#CCCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000806914550 612978684 /nfs/dbraw/zinc/97/86/84/612978684.db2.gz FAJUZDPLJHUDFZ-UHFFFAOYSA-N 1 2 276.340 0.261 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1coc(S(N)(=O)=O)c1 ZINC000852749816 612989531 /nfs/dbraw/zinc/98/95/31/612989531.db2.gz GVLXRGCCIOHOHU-UHFFFAOYSA-N 1 2 286.353 0.399 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1coc(S(N)(=O)=O)c1 ZINC000852749816 612989532 /nfs/dbraw/zinc/98/95/32/612989532.db2.gz GVLXRGCCIOHOHU-UHFFFAOYSA-N 1 2 286.353 0.399 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC000957378454 612991975 /nfs/dbraw/zinc/99/19/75/612991975.db2.gz QYGRUROEFDFAEB-UHFFFAOYSA-N 1 2 299.374 0.955 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnsn2)C1 ZINC000949726953 612992829 /nfs/dbraw/zinc/99/28/29/612992829.db2.gz QKAUIPJCHDDBHE-UHFFFAOYSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000823238112 612999475 /nfs/dbraw/zinc/99/94/75/612999475.db2.gz JSEULDOGDOKQME-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000831852555 613000669 /nfs/dbraw/zinc/00/06/69/613000669.db2.gz DBBVIANJQLJKOH-MJBXVCDLSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000823128563 613002415 /nfs/dbraw/zinc/00/24/15/613002415.db2.gz DMSQRJCOHLTNRK-RWMBFGLXSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000865086385 613010627 /nfs/dbraw/zinc/01/06/27/613010627.db2.gz ZLPFQCCUTSYMOC-UHFFFAOYSA-N 1 2 283.335 0.510 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCCF)CC1 ZINC000804969969 613011940 /nfs/dbraw/zinc/01/19/40/613011940.db2.gz KYGYGVYDKQNXBL-UHFFFAOYSA-N 1 2 276.377 0.707 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000879002169 613027212 /nfs/dbraw/zinc/02/72/12/613027212.db2.gz QLDWUCSZFILRJF-NSHDSACASA-N 1 2 276.340 0.962 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000823052260 613027740 /nfs/dbraw/zinc/02/77/40/613027740.db2.gz CRMRVHKWBIEQMD-QWHCGFSZSA-N 1 2 263.341 0.971 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000854550172 613029334 /nfs/dbraw/zinc/02/93/34/613029334.db2.gz PWDLLJBIJBOWNQ-LBPRGKRZSA-N 1 2 257.293 0.757 20 30 CCEDLO C#CC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000846256627 613040084 /nfs/dbraw/zinc/04/00/84/613040084.db2.gz IJJWTYODYJWIQB-GHMZBOCLSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869499150 613048875 /nfs/dbraw/zinc/04/88/75/613048875.db2.gz WRKBGHWHNJDOQJ-YVARQFDVSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000823052258 613056591 /nfs/dbraw/zinc/05/65/91/613056591.db2.gz CRMRVHKWBIEQMD-CHWSQXEVSA-N 1 2 263.341 0.971 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000847160220 613058176 /nfs/dbraw/zinc/05/81/76/613058176.db2.gz LAYVMMXBQRKXLY-IJLUTSLNSA-N 1 2 261.325 0.414 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897656438 613058549 /nfs/dbraw/zinc/05/85/49/613058549.db2.gz DKALCEJHCCWLOF-BXUZGUMPSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897656438 613058551 /nfs/dbraw/zinc/05/85/51/613058551.db2.gz DKALCEJHCCWLOF-BXUZGUMPSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858235799 613064213 /nfs/dbraw/zinc/06/42/13/613064213.db2.gz RRWYQEFYGIHNAY-BFHYXJOUSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000858861034 613066822 /nfs/dbraw/zinc/06/68/22/613066822.db2.gz YANJKWHOJZSQJS-GHMZBOCLSA-N 1 2 264.329 0.720 20 30 CCEDLO C#CC[C@H](COC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000858861034 613066824 /nfs/dbraw/zinc/06/68/24/613066824.db2.gz YANJKWHOJZSQJS-GHMZBOCLSA-N 1 2 264.329 0.720 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000855495486 613104278 /nfs/dbraw/zinc/10/42/78/613104278.db2.gz ZBGRKWFCQCBVPG-UHFFFAOYSA-N 1 2 291.351 0.766 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000852216256 613106572 /nfs/dbraw/zinc/10/65/72/613106572.db2.gz XLUNFMLXHKIXDH-SNVBAGLBSA-N 1 2 268.338 0.772 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000852216256 613106575 /nfs/dbraw/zinc/10/65/75/613106575.db2.gz XLUNFMLXHKIXDH-SNVBAGLBSA-N 1 2 268.338 0.772 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000951781712 613110866 /nfs/dbraw/zinc/11/08/66/613110866.db2.gz FOFVEEQQNXTPEK-ZIAGYGMSSA-N 1 2 286.379 0.690 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902244771 613114505 /nfs/dbraw/zinc/11/45/05/613114505.db2.gz YVMBQHNBDOVRKR-AVGNSLFASA-N 1 2 250.342 0.925 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902244771 613114507 /nfs/dbraw/zinc/11/45/07/613114507.db2.gz YVMBQHNBDOVRKR-AVGNSLFASA-N 1 2 250.342 0.925 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C(\C)C3CC3)CC2)C1 ZINC000941323002 613114525 /nfs/dbraw/zinc/11/45/25/613114525.db2.gz LHXADMZPSOVFFN-SDNWHVSQSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3)CC2)C1 ZINC000941317053 613115630 /nfs/dbraw/zinc/11/56/30/613115630.db2.gz YAAUGVMLBPFFQK-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875723634 613117437 /nfs/dbraw/zinc/11/74/37/613117437.db2.gz OUMLWPPBEYGXEX-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875723634 613117439 /nfs/dbraw/zinc/11/74/39/613117439.db2.gz OUMLWPPBEYGXEX-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC000970162200 613118801 /nfs/dbraw/zinc/11/88/01/613118801.db2.gz OCSKKUYRRWVYPT-SNVBAGLBSA-N 1 2 289.335 0.067 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854080626 613121202 /nfs/dbraw/zinc/12/12/02/613121202.db2.gz VPXFOSUADLFSHW-YNEHKIRRSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854080626 613121203 /nfs/dbraw/zinc/12/12/03/613121203.db2.gz VPXFOSUADLFSHW-YNEHKIRRSA-N 1 2 267.373 0.807 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000882676495 613131579 /nfs/dbraw/zinc/13/15/79/613131579.db2.gz SYESZTAWTDRRGI-JOCQHMNTSA-N 1 2 298.408 0.023 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000847757892 613146741 /nfs/dbraw/zinc/14/67/41/613146741.db2.gz GARQSCOVXFRXIM-KGYLQXTDSA-N 1 2 261.325 0.885 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000847757892 613146743 /nfs/dbraw/zinc/14/67/43/613146743.db2.gz GARQSCOVXFRXIM-KGYLQXTDSA-N 1 2 261.325 0.885 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000856107705 613147473 /nfs/dbraw/zinc/14/74/73/613147473.db2.gz SOZFVSQXADHSON-KBPBESRZSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nccc(C)n2)CC1 ZINC000981081826 613160827 /nfs/dbraw/zinc/16/08/27/613160827.db2.gz UOAPWMPQMNIYIM-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nccc(C)n2)CC1 ZINC000981081826 613160829 /nfs/dbraw/zinc/16/08/29/613160829.db2.gz UOAPWMPQMNIYIM-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000838268632 613161747 /nfs/dbraw/zinc/16/17/47/613161747.db2.gz RVVJZUGEHUMXIJ-RYUDHWBXSA-N 1 2 259.309 0.306 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cn1 ZINC000804437209 613175321 /nfs/dbraw/zinc/17/53/21/613175321.db2.gz AGKDDXHPJNFWKH-BBRMVZONSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCOC(C)C)C1 ZINC000885512065 613176146 /nfs/dbraw/zinc/17/61/46/613176146.db2.gz RGIJSJYSBLKXHK-CYBMUJFWSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCOC(C)C)C1 ZINC000885512065 613176147 /nfs/dbraw/zinc/17/61/47/613176147.db2.gz RGIJSJYSBLKXHK-CYBMUJFWSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC000923566245 613180921 /nfs/dbraw/zinc/18/09/21/613180921.db2.gz OGBGCXPZFDTICR-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC000923566245 613180923 /nfs/dbraw/zinc/18/09/23/613180923.db2.gz OGBGCXPZFDTICR-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C=O)c[nH]2)C1 ZINC000923559397 613191078 /nfs/dbraw/zinc/19/10/78/613191078.db2.gz METPJYNDJWWGST-LBPRGKRZSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C=O)c[nH]2)C1 ZINC000923559397 613191079 /nfs/dbraw/zinc/19/10/79/613191079.db2.gz METPJYNDJWWGST-LBPRGKRZSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000885514198 613193052 /nfs/dbraw/zinc/19/30/52/613193052.db2.gz SGMIRKCXBYXLPM-LBPRGKRZSA-N 1 2 271.386 0.014 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000885514198 613193053 /nfs/dbraw/zinc/19/30/53/613193053.db2.gz SGMIRKCXBYXLPM-LBPRGKRZSA-N 1 2 271.386 0.014 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)COC)C1 ZINC000885512116 613193183 /nfs/dbraw/zinc/19/31/83/613193183.db2.gz RQCQIUAJSDIVRZ-RYUDHWBXSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)COC)C1 ZINC000885512116 613193185 /nfs/dbraw/zinc/19/31/85/613193185.db2.gz RQCQIUAJSDIVRZ-RYUDHWBXSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000861760626 613197454 /nfs/dbraw/zinc/19/74/54/613197454.db2.gz KNEMXVAAALEILZ-ZDUSSCGKSA-N 1 2 258.325 0.392 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000861760626 613197455 /nfs/dbraw/zinc/19/74/55/613197455.db2.gz KNEMXVAAALEILZ-ZDUSSCGKSA-N 1 2 258.325 0.392 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870475511 613201382 /nfs/dbraw/zinc/20/13/82/613201382.db2.gz SYDMLZAPPPRNKS-XQHKEYJVSA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870475511 613201383 /nfs/dbraw/zinc/20/13/83/613201383.db2.gz SYDMLZAPPPRNKS-XQHKEYJVSA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccsc1 ZINC000807261968 613201902 /nfs/dbraw/zinc/20/19/02/613201902.db2.gz IMJKUPLHUMFFRC-OLZOCXBDSA-N 1 2 278.377 0.995 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccsc1 ZINC000807261968 613201904 /nfs/dbraw/zinc/20/19/04/613201904.db2.gz IMJKUPLHUMFFRC-OLZOCXBDSA-N 1 2 278.377 0.995 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000870475510 613201981 /nfs/dbraw/zinc/20/19/81/613201981.db2.gz SYDMLZAPPPRNKS-RVMXOQNASA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000870475510 613201982 /nfs/dbraw/zinc/20/19/82/613201982.db2.gz SYDMLZAPPPRNKS-RVMXOQNASA-N 1 2 250.342 0.766 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCn2cnnn2)c1 ZINC000877977236 613203796 /nfs/dbraw/zinc/20/37/96/613203796.db2.gz WDCWZHBIKCKIPA-UHFFFAOYSA-N 1 2 284.323 0.225 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCn2cnnn2)c1 ZINC000877977236 613203798 /nfs/dbraw/zinc/20/37/98/613203798.db2.gz WDCWZHBIKCKIPA-UHFFFAOYSA-N 1 2 284.323 0.225 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(Cl)[nH]c(=O)n2)CC1 ZINC000858338573 613209717 /nfs/dbraw/zinc/20/97/17/613209717.db2.gz YMSUZNQFRFLGAV-UHFFFAOYSA-N 1 2 252.705 0.591 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972271120 613211286 /nfs/dbraw/zinc/21/12/86/613211286.db2.gz GBNLFPDWZATNBC-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972271120 613211289 /nfs/dbraw/zinc/21/12/89/613211289.db2.gz GBNLFPDWZATNBC-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203347 613211807 /nfs/dbraw/zinc/21/18/07/613211807.db2.gz DQDPPPSXFZAJOS-GFCCVEGCSA-N 1 2 258.268 0.188 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203347 613211809 /nfs/dbraw/zinc/21/18/09/613211809.db2.gz DQDPPPSXFZAJOS-GFCCVEGCSA-N 1 2 258.268 0.188 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 ZINC000972262694 613211990 /nfs/dbraw/zinc/21/19/90/613211990.db2.gz YDDHKEHOOVPTKS-INIZCTEOSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 ZINC000972262694 613211992 /nfs/dbraw/zinc/21/19/92/613211992.db2.gz YDDHKEHOOVPTKS-INIZCTEOSA-N 1 2 287.363 0.575 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000950406684 613213847 /nfs/dbraw/zinc/21/38/47/613213847.db2.gz DGRJHDSEPGDOBI-UHFFFAOYSA-N 1 2 273.336 0.467 20 30 CCEDLO C/C(=C/C(=O)N(C)C[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000900329165 613228095 /nfs/dbraw/zinc/22/80/95/613228095.db2.gz LPNKZBSFWIQRES-LLBKUYECSA-N 1 2 265.357 0.883 20 30 CCEDLO C/C(=C/C(=O)N1CCO[C@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC000887689929 613231565 /nfs/dbraw/zinc/23/15/65/613231565.db2.gz BISRFVDUWAYZIA-UZGISAJGSA-N 1 2 293.367 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965032159 613250628 /nfs/dbraw/zinc/25/06/28/613250628.db2.gz LDPDZVQCUCALQG-ONGXEEELSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965032159 613250629 /nfs/dbraw/zinc/25/06/29/613250629.db2.gz LDPDZVQCUCALQG-ONGXEEELSA-N 1 2 278.381 0.920 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000950645544 613294665 /nfs/dbraw/zinc/29/46/65/613294665.db2.gz QKMIETDZAMYXCO-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000951364908 613315412 /nfs/dbraw/zinc/31/54/12/613315412.db2.gz XDSJXZTZUIPVIJ-AWEZNQCLSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC000949493920 613317679 /nfs/dbraw/zinc/31/76/79/613317679.db2.gz CTBMEUVTOKKOHT-AWEZNQCLSA-N 1 2 292.383 0.828 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000949228710 613321193 /nfs/dbraw/zinc/32/11/93/613321193.db2.gz JPQGTWTZCQSYPX-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000815017222 613323966 /nfs/dbraw/zinc/32/39/66/613323966.db2.gz HHXWFZDRHSCDCM-UHFFFAOYSA-N 1 2 297.362 0.839 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000815017222 613323967 /nfs/dbraw/zinc/32/39/67/613323967.db2.gz HHXWFZDRHSCDCM-UHFFFAOYSA-N 1 2 297.362 0.839 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852711245 613330854 /nfs/dbraw/zinc/33/08/54/613330854.db2.gz DEEMRRPAAZZSPU-LBPRGKRZSA-N 1 2 268.263 0.337 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000883271214 613357526 /nfs/dbraw/zinc/35/75/26/613357526.db2.gz IEDDAAVPPQFJNJ-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000883271214 613357527 /nfs/dbraw/zinc/35/75/27/613357527.db2.gz IEDDAAVPPQFJNJ-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000906776808 613363068 /nfs/dbraw/zinc/36/30/68/613363068.db2.gz FGORMNLKYJZAKE-KBUPBQIOSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000906776808 613363069 /nfs/dbraw/zinc/36/30/69/613363069.db2.gz FGORMNLKYJZAKE-KBUPBQIOSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000970430754 613372095 /nfs/dbraw/zinc/37/20/95/613372095.db2.gz GLMMMIRIRHZXRR-GDPRMGEGSA-N 1 2 285.775 0.297 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970291230 613372129 /nfs/dbraw/zinc/37/21/29/613372129.db2.gz AFSRRMSLLINYJK-CMPLNLGQSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000957994421 613380259 /nfs/dbraw/zinc/38/02/59/613380259.db2.gz BNQGNQFETVCUAH-NWDGAFQWSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000957994421 613380260 /nfs/dbraw/zinc/38/02/60/613380260.db2.gz BNQGNQFETVCUAH-NWDGAFQWSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978373235 613382076 /nfs/dbraw/zinc/38/20/76/613382076.db2.gz KOIQFOQIZFYNKU-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978373235 613382077 /nfs/dbraw/zinc/38/20/77/613382077.db2.gz KOIQFOQIZFYNKU-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978373235 613382078 /nfs/dbraw/zinc/38/20/78/613382078.db2.gz KOIQFOQIZFYNKU-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978373235 613382079 /nfs/dbraw/zinc/38/20/79/613382079.db2.gz KOIQFOQIZFYNKU-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000970442915 613384895 /nfs/dbraw/zinc/38/48/95/613384895.db2.gz CPUBGRYJVNPPPN-SECBINFHSA-N 1 2 269.736 0.290 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC000939499959 613386233 /nfs/dbraw/zinc/38/62/33/613386233.db2.gz PUHBVXFXEOOULV-PSASIEDQSA-N 1 2 283.763 0.536 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000865296641 613388846 /nfs/dbraw/zinc/38/88/46/613388846.db2.gz BZSALBDFTDUGEF-VIFPVBQESA-N 1 2 268.704 0.946 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899065885 613395586 /nfs/dbraw/zinc/39/55/86/613395586.db2.gz VGGJARYGOJTEKS-UHFFFAOYSA-N 1 2 280.368 0.908 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899065885 613395589 /nfs/dbraw/zinc/39/55/89/613395589.db2.gz VGGJARYGOJTEKS-UHFFFAOYSA-N 1 2 280.368 0.908 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907360612 613403141 /nfs/dbraw/zinc/40/31/41/613403141.db2.gz DALZRUYZPSTKPM-SRXBQZRASA-N 1 2 268.357 0.318 20 30 CCEDLO C=C1CCC(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000897235913 613403469 /nfs/dbraw/zinc/40/34/69/613403469.db2.gz ZFSOOMUUFMFNBE-OAHLLOKOSA-N 1 2 296.411 0.884 20 30 CCEDLO CC(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941253121 613414184 /nfs/dbraw/zinc/41/41/84/613414184.db2.gz QTRCJRJPPPCXQW-UHFFFAOYSA-N 1 2 298.390 0.907 20 30 CCEDLO C=CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000905778489 613419304 /nfs/dbraw/zinc/41/93/04/613419304.db2.gz KGKQCAWVLMJNSN-GRYCIOLGSA-N 1 2 257.330 0.745 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000981754292 613431548 /nfs/dbraw/zinc/43/15/48/613431548.db2.gz BRDDYLZVNLOIEU-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000981754292 613431550 /nfs/dbraw/zinc/43/15/50/613431550.db2.gz BRDDYLZVNLOIEU-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000800371053 613441960 /nfs/dbraw/zinc/44/19/60/613441960.db2.gz RBHORLGWIVAPEA-NSHDSACASA-N 1 2 296.323 0.498 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](CCOCC)CC1 ZINC000845632559 613445067 /nfs/dbraw/zinc/44/50/67/613445067.db2.gz KWJWYIBMEOXICG-GFCCVEGCSA-N 1 2 271.361 0.856 20 30 CCEDLO C=C[C@@H](O)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542615 613451332 /nfs/dbraw/zinc/45/13/32/613451332.db2.gz BUCLLVSHRZUIEI-GFCCVEGCSA-N 1 2 298.383 0.456 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000845634980 613487818 /nfs/dbraw/zinc/48/78/18/613487818.db2.gz CZHWMJRZKFQICU-NEPJUHHUSA-N 1 2 270.377 0.428 20 30 CCEDLO C=C[C@H](CO)[NH2+]CC(=O)c1cc(C(=O)OC)[nH]c1C ZINC000878994973 613492701 /nfs/dbraw/zinc/49/27/01/613492701.db2.gz HDCOHXATMBMBKI-SECBINFHSA-N 1 2 266.297 0.429 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874712360 613507200 /nfs/dbraw/zinc/50/72/00/613507200.db2.gz XLUMKYNAEPMBHD-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874712360 613507203 /nfs/dbraw/zinc/50/72/03/613507203.db2.gz XLUMKYNAEPMBHD-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765306 613508225 /nfs/dbraw/zinc/50/82/25/613508225.db2.gz QSWOTGAVULSAHR-LBPRGKRZSA-N 1 2 269.370 0.758 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137647 613551161 /nfs/dbraw/zinc/55/11/61/613551161.db2.gz BSYALRIMGDRZET-VXGBXAGGSA-N 1 2 265.313 0.209 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137647 613551162 /nfs/dbraw/zinc/55/11/62/613551162.db2.gz BSYALRIMGDRZET-VXGBXAGGSA-N 1 2 265.313 0.209 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950434008 613566146 /nfs/dbraw/zinc/56/61/46/613566146.db2.gz UAKLPSIBYCLSDH-ZDUSSCGKSA-N 1 2 286.379 0.997 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868787163 613587828 /nfs/dbraw/zinc/58/78/28/613587828.db2.gz QWVVQAFBYNKTTL-DIECRNLCSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)Cc1[nH]cc[nH+]1 ZINC000816955277 613644414 /nfs/dbraw/zinc/64/44/14/613644414.db2.gz YLMJIQQAKGVKOJ-UHFFFAOYSA-N 1 2 251.286 0.530 20 30 CCEDLO C=CC[N@@H+](CCOCCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000929976023 613650426 /nfs/dbraw/zinc/65/04/26/613650426.db2.gz LMUIYCUKMIDTNL-ZDUSSCGKSA-N 1 2 291.413 0.715 20 30 CCEDLO C=CC[N@H+](CCOCCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000929976023 613650427 /nfs/dbraw/zinc/65/04/27/613650427.db2.gz LMUIYCUKMIDTNL-ZDUSSCGKSA-N 1 2 291.413 0.715 20 30 CCEDLO C=CC[N@H+](CCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975699 613650734 /nfs/dbraw/zinc/65/07/34/613650734.db2.gz IKWFVHKSJMKKSK-STQMWFEESA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[N@@H+](CCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975699 613650737 /nfs/dbraw/zinc/65/07/37/613650737.db2.gz IKWFVHKSJMKKSK-STQMWFEESA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000950810045 613653803 /nfs/dbraw/zinc/65/38/03/613653803.db2.gz AHNTVDFIUPVGBR-GFCCVEGCSA-N 1 2 294.399 0.496 20 30 CCEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(=O)[nH]n1 ZINC000848416987 613655089 /nfs/dbraw/zinc/65/50/89/613655089.db2.gz GPUUWWILLFATCL-UHFFFAOYSA-N 1 2 260.301 0.783 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(=O)[nH]n2)C1 ZINC000949618184 613657364 /nfs/dbraw/zinc/65/73/64/613657364.db2.gz FBSJKZVOOPEBGS-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO CC(N=Nc1nccn(C)c1=O)c1ccc(N)[nH+]c1 ZINC000814862483 613657798 /nfs/dbraw/zinc/65/77/98/613657798.db2.gz LXQNURZCLQRAPC-UHFFFAOYSA-N 1 2 258.285 0.594 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)cn2)C1 ZINC000950931949 613658335 /nfs/dbraw/zinc/65/83/35/613658335.db2.gz FQSJJUCHINIOKA-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)n2C)C1 ZINC000951137485 613658713 /nfs/dbraw/zinc/65/87/13/613658713.db2.gz IKQAOXGANFAVBQ-UHFFFAOYSA-N 1 2 264.329 0.458 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cnc[nH]c2=O)C1 ZINC000950585637 613658931 /nfs/dbraw/zinc/65/89/31/613658931.db2.gz IIUBWGKSZCYPET-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2ccnn2C)CC1 ZINC000948592712 613707377 /nfs/dbraw/zinc/70/73/77/613707377.db2.gz QLMYCSNMHNALMI-UHFFFAOYSA-N 1 2 262.357 0.683 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000949498396 613714468 /nfs/dbraw/zinc/71/44/68/613714468.db2.gz JTQCSIOGUPJRRN-LBPRGKRZSA-N 1 2 290.367 0.857 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000957373561 613717429 /nfs/dbraw/zinc/71/74/29/613717429.db2.gz SUXKAMBPQKHARX-UHFFFAOYSA-N 1 2 261.325 0.329 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294299 613723673 /nfs/dbraw/zinc/72/36/73/613723673.db2.gz JVJRLYMCJVJBLF-HNNXBMFYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294299 613723674 /nfs/dbraw/zinc/72/36/74/613723674.db2.gz JVJRLYMCJVJBLF-HNNXBMFYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972277993 613727417 /nfs/dbraw/zinc/72/74/17/613727417.db2.gz YTEXUNRMICUOFH-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972277993 613727418 /nfs/dbraw/zinc/72/74/18/613727418.db2.gz YTEXUNRMICUOFH-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925978938 613847276 /nfs/dbraw/zinc/84/72/76/613847276.db2.gz HTSFEFSPWAVURJ-JTQLQIEISA-N 1 2 251.334 0.812 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845442640 613852704 /nfs/dbraw/zinc/85/27/04/613852704.db2.gz OBDFGRQLDDGBIW-QWRGUYRKSA-N 1 2 260.297 0.845 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1(COC)CC1 ZINC000884399789 613877165 /nfs/dbraw/zinc/87/71/65/613877165.db2.gz ODGWGXCWFQBJMW-JTQLQIEISA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCc1ccccn1 ZINC000884307767 613877446 /nfs/dbraw/zinc/87/74/46/613877446.db2.gz UFHNZFCJMAEJLF-ZDUSSCGKSA-N 1 2 291.351 0.529 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OCC)CC1 ZINC000884087231 613877671 /nfs/dbraw/zinc/87/76/71/613877671.db2.gz WAIDQKKAAAYYQH-LBPRGKRZSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000884065549 613878006 /nfs/dbraw/zinc/87/80/06/613878006.db2.gz RSUMQWWZKDPCML-NSHDSACASA-N 1 2 266.341 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cccs1 ZINC000884056572 613878154 /nfs/dbraw/zinc/87/81/54/613878154.db2.gz CSZXIWGURDOEDG-NSHDSACASA-N 1 2 282.365 0.853 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(=C)Br ZINC000884107672 613878261 /nfs/dbraw/zinc/87/82/61/613878261.db2.gz BWSQIDSTVFHYOH-QMMMGPOBSA-N 1 2 291.145 0.458 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000884413676 613878388 /nfs/dbraw/zinc/87/83/88/613878388.db2.gz ZPILAAHAZRXMSD-DTWKUNHWSA-N 1 2 290.310 0.841 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000884159578 613878545 /nfs/dbraw/zinc/87/85/45/613878545.db2.gz HGAGLWGQDACKLN-VWYCJHECSA-N 1 2 286.397 0.833 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000884313448 613878605 /nfs/dbraw/zinc/87/86/05/613878605.db2.gz FCTGQMYHIKVGRO-MXWKQRLJSA-N 1 2 270.329 0.117 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CSC ZINC000884147779 613878651 /nfs/dbraw/zinc/87/86/51/613878651.db2.gz TUQTZSJMATXVMS-IUCAKERBSA-N 1 2 260.359 0.301 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446770 613879703 /nfs/dbraw/zinc/87/97/03/613879703.db2.gz IRHHCFZFEGDQNO-CYBMUJFWSA-N 1 2 278.356 0.865 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000863904135 613885031 /nfs/dbraw/zinc/88/50/31/613885031.db2.gz HCHMUJGCUFRBEM-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000863904135 613885032 /nfs/dbraw/zinc/88/50/32/613885032.db2.gz HCHMUJGCUFRBEM-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000828100114 614071847 /nfs/dbraw/zinc/07/18/47/614071847.db2.gz ZMMUNGRINNFQGG-SJKOYZFVSA-N 1 2 257.403 0.531 20 30 CCEDLO CC(C)(CC#N)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868843162 614075940 /nfs/dbraw/zinc/07/59/40/614075940.db2.gz RBNDJBADRYOCRG-ARJAWSKDSA-N 1 2 265.357 0.931 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931207379 614180257 /nfs/dbraw/zinc/18/02/57/614180257.db2.gz JANIBCGZLDOQPB-OAHLLOKOSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931207379 614180260 /nfs/dbraw/zinc/18/02/60/614180260.db2.gz JANIBCGZLDOQPB-OAHLLOKOSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)n1cc[nH+]c1 ZINC000820132311 614180271 /nfs/dbraw/zinc/18/02/71/614180271.db2.gz PDYVBPKVKZNACA-MNOVXSKESA-N 1 2 280.328 0.577 20 30 CCEDLO CC1(C)CC(=O)NCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000931205472 614509416 /nfs/dbraw/zinc/50/94/16/614509416.db2.gz WBCNIXAREGJWMY-UHFFFAOYSA-N 1 2 278.356 0.149 20 30 CCEDLO CC1(C)CC(=O)NCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000931205472 614509417 /nfs/dbraw/zinc/50/94/17/614509417.db2.gz WBCNIXAREGJWMY-UHFFFAOYSA-N 1 2 278.356 0.149 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907392530 615326738 /nfs/dbraw/zinc/32/67/38/615326738.db2.gz DOKNQADJMFXSGO-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907392530 615326740 /nfs/dbraw/zinc/32/67/40/615326740.db2.gz DOKNQADJMFXSGO-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCC1 ZINC000928638026 615477013 /nfs/dbraw/zinc/47/70/13/615477013.db2.gz AOHSHQNLOZSYLO-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928646317 615478935 /nfs/dbraw/zinc/47/89/35/615478935.db2.gz JKAVFRKBBNXRCN-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454056 615587982 /nfs/dbraw/zinc/58/79/82/615587982.db2.gz XOKDMMMFUAKUFS-AAEUAGOBSA-N 1 2 261.329 0.822 20 30 CCEDLO CC[C@H](C)[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000905767846 615684990 /nfs/dbraw/zinc/68/49/90/615684990.db2.gz OKSYFOKZWKHVIY-GXSJLCMTSA-N 1 2 265.317 0.327 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000933227023 615872965 /nfs/dbraw/zinc/87/29/65/615872965.db2.gz PPJKCIULBJLGOX-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000933227023 615872966 /nfs/dbraw/zinc/87/29/66/615872966.db2.gz PPJKCIULBJLGOX-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000898558889 615874233 /nfs/dbraw/zinc/87/42/33/615874233.db2.gz WCEYJHCLUWOJKL-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000898558889 615874234 /nfs/dbraw/zinc/87/42/34/615874234.db2.gz WCEYJHCLUWOJKL-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931300355 615942521 /nfs/dbraw/zinc/94/25/21/615942521.db2.gz UQBWOSZFEBEMDK-VNHYZAJKSA-N 1 2 295.383 0.675 20 30 CCEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)N1CCCC1)[C@@H]1CCSC1 ZINC000123221373 616050843 /nfs/dbraw/zinc/05/08/43/616050843.db2.gz MIZFPOUICQEWTC-NEPJUHHUSA-N 1 2 295.408 0.755 20 30 CCEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)N1CCCC1)[C@@H]1CCSC1 ZINC000123221373 616050844 /nfs/dbraw/zinc/05/08/44/616050844.db2.gz MIZFPOUICQEWTC-NEPJUHHUSA-N 1 2 295.408 0.755 20 30 CCEDLO Cn1ncc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844371680 616097374 /nfs/dbraw/zinc/09/73/74/616097374.db2.gz QCYDDSYEDQGKSE-AWEZNQCLSA-N 1 2 271.324 0.852 20 30 CCEDLO Cn1ncc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844371680 616097375 /nfs/dbraw/zinc/09/73/75/616097375.db2.gz QCYDDSYEDQGKSE-AWEZNQCLSA-N 1 2 271.324 0.852 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000930001284 616149249 /nfs/dbraw/zinc/14/92/49/616149249.db2.gz TVDVCBRBGSVIIM-IJLUTSLNSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000930001284 616149251 /nfs/dbraw/zinc/14/92/51/616149251.db2.gz TVDVCBRBGSVIIM-IJLUTSLNSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1CO ZINC000913544956 616229822 /nfs/dbraw/zinc/22/98/22/616229822.db2.gz QODFYPSTIKESCL-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1CO ZINC000913544956 616229823 /nfs/dbraw/zinc/22/98/23/616229823.db2.gz QODFYPSTIKESCL-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)CNc1cccc[nH+]1 ZINC000900770967 616586729 /nfs/dbraw/zinc/58/67/29/616586729.db2.gz MFNKOSBFFQWFHG-UHFFFAOYSA-N 1 2 262.269 0.019 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCO[C@@H](C)C#N ZINC000805817123 616669166 /nfs/dbraw/zinc/66/91/66/616669166.db2.gz ZVJZIJJDEOSJAP-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCO[C@@H](C)C#N ZINC000805817123 616669169 /nfs/dbraw/zinc/66/91/69/616669169.db2.gz ZVJZIJJDEOSJAP-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000802310485 616744217 /nfs/dbraw/zinc/74/42/17/616744217.db2.gz WDTHKOFJTKPZJL-IJLUTSLNSA-N 1 2 299.371 0.342 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901053636 617011101 /nfs/dbraw/zinc/01/11/01/617011101.db2.gz ZEGYFTGKFIMGJK-ICDLMJIXSA-N 1 2 281.356 0.310 20 30 CCEDLO CON(C)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365428 617020320 /nfs/dbraw/zinc/02/03/20/617020320.db2.gz FZBAKRPFMIXDIT-ZDUSSCGKSA-N 1 2 277.324 0.543 20 30 CCEDLO CON(C)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365428 617020325 /nfs/dbraw/zinc/02/03/25/617020325.db2.gz FZBAKRPFMIXDIT-ZDUSSCGKSA-N 1 2 277.324 0.543 20 30 CCEDLO CON=CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889741 617104180 /nfs/dbraw/zinc/10/41/80/617104180.db2.gz MLZBYXNMXNIFKP-LBPRGKRZSA-N 1 2 265.288 0.931 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001023757662 623132423 /nfs/dbraw/zinc/13/24/23/623132423.db2.gz LYQYQTFSPAARAX-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001023757662 623132428 /nfs/dbraw/zinc/13/24/28/623132428.db2.gz LYQYQTFSPAARAX-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024632572 623404642 /nfs/dbraw/zinc/40/46/42/623404642.db2.gz YVQPHHWOFSUBOO-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024632572 623404645 /nfs/dbraw/zinc/40/46/45/623404645.db2.gz YVQPHHWOFSUBOO-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024662478 623410907 /nfs/dbraw/zinc/41/09/07/623410907.db2.gz YLLIUIZOICJEAC-UPJWGTAASA-N 1 2 295.383 0.034 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024662478 623410909 /nfs/dbraw/zinc/41/09/09/623410909.db2.gz YLLIUIZOICJEAC-UPJWGTAASA-N 1 2 295.383 0.034 20 30 CCEDLO O=C(NCC#CCO)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000923782530 623468229 /nfs/dbraw/zinc/46/82/29/623468229.db2.gz SBZAKKCRJNCVLD-UHFFFAOYSA-N 1 2 262.313 0.294 20 30 CCEDLO O=C(NCC#CCO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000923787927 623557220 /nfs/dbraw/zinc/55/72/20/623557220.db2.gz FNXJOPITEMOCGA-UHFFFAOYSA-N 1 2 293.392 0.571 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000969991502 624570253 /nfs/dbraw/zinc/57/02/53/624570253.db2.gz FVGMJWUUZAERER-VXGBXAGGSA-N 1 2 287.367 0.406 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000049441903 624792278 /nfs/dbraw/zinc/79/22/78/624792278.db2.gz SOEJLSDPCKQNFQ-UHFFFAOYSA-N 1 2 281.312 0.281 20 30 CCEDLO N#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021755526 624820513 /nfs/dbraw/zinc/82/05/13/624820513.db2.gz XIJJRAGLPRNBIH-KGLIPLIRSA-N 1 2 287.367 0.720 20 30 CCEDLO C#CCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000288390753 631937298 /nfs/dbraw/zinc/93/72/98/631937298.db2.gz PPDFFPOXPRPYMH-UHFFFAOYSA-N 1 2 252.295 0.634 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325555 632058654 /nfs/dbraw/zinc/05/86/54/632058654.db2.gz SCPRNGIWZZXEIX-YPMHNXCESA-N 1 2 281.743 0.924 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325555 632058659 /nfs/dbraw/zinc/05/86/59/632058659.db2.gz SCPRNGIWZZXEIX-YPMHNXCESA-N 1 2 281.743 0.924 20 30 CCEDLO C=C(Br)C[N@@H+](C)CC(C)(CO)CO ZINC000305109523 632520765 /nfs/dbraw/zinc/52/07/65/632520765.db2.gz GOUDPUYZHGKMJY-UHFFFAOYSA-N 1 2 252.152 0.818 20 30 CCEDLO C=C(Br)C[N@H+](C)CC(C)(CO)CO ZINC000305109523 632520776 /nfs/dbraw/zinc/52/07/76/632520776.db2.gz GOUDPUYZHGKMJY-UHFFFAOYSA-N 1 2 252.152 0.818 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCN(CC#N)C1 ZINC001007621419 650086751 /nfs/dbraw/zinc/08/67/51/650086751.db2.gz WUMUHPDPENWPHB-CYBMUJFWSA-N 1 2 288.351 0.737 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)C2)s1 ZINC001008385293 650113179 /nfs/dbraw/zinc/11/31/79/650113179.db2.gz OZFJXXNSQUXOOT-VIFPVBQESA-N 1 2 292.364 0.186 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)C2)s1 ZINC001008385293 650113180 /nfs/dbraw/zinc/11/31/80/650113180.db2.gz OZFJXXNSQUXOOT-VIFPVBQESA-N 1 2 292.364 0.186 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cc1c[nH+]cn1C ZINC000989674861 633342120 /nfs/dbraw/zinc/34/21/20/633342120.db2.gz CQPVLFQITXWXRD-MNOVXSKESA-N 1 2 261.329 0.065 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC000990429748 633529740 /nfs/dbraw/zinc/52/97/40/633529740.db2.gz DWYCZFAXDWSFLF-FOGDFJRCSA-N 1 2 289.339 0.217 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898886190 633682633 /nfs/dbraw/zinc/68/26/33/633682633.db2.gz FFOQTONOALBPJL-CQSZACIVSA-N 1 2 299.330 0.896 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CCN(CCC#N)CC2)c[nH+]1 ZINC000899179336 633752616 /nfs/dbraw/zinc/75/26/16/633752616.db2.gz LXAURMLLXAJKOG-UHFFFAOYSA-N 1 2 289.383 0.985 20 30 CCEDLO C/C(=C\C(=O)N(C)CCC#N)C[NH+]1CCOCC1 ZINC000900356558 633992272 /nfs/dbraw/zinc/99/22/72/633992272.db2.gz KQQOIFVSBDEOTI-ZRDIBKRKSA-N 1 2 251.330 0.637 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010697627 650254678 /nfs/dbraw/zinc/25/46/78/650254678.db2.gz WKAZLRXIPIOREX-VXGBXAGGSA-N 1 2 287.791 0.260 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010697627 650254683 /nfs/dbraw/zinc/25/46/83/650254683.db2.gz WKAZLRXIPIOREX-VXGBXAGGSA-N 1 2 287.791 0.260 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cn1 ZINC000913437236 636807506 /nfs/dbraw/zinc/80/75/06/636807506.db2.gz KHCMNAKQSQPIBE-CQSZACIVSA-N 1 2 296.334 0.392 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000914083620 637503738 /nfs/dbraw/zinc/50/37/38/637503738.db2.gz VTFKNNXFGRRWNE-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000919874831 638113990 /nfs/dbraw/zinc/11/39/90/638113990.db2.gz GRYAWSONQPAVEO-ZDUSSCGKSA-N 1 2 299.440 0.763 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177464 638708100 /nfs/dbraw/zinc/70/81/00/638708100.db2.gz OPOHSXKFAQTVJH-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)o1 ZINC000995580425 638779325 /nfs/dbraw/zinc/77/93/25/638779325.db2.gz KTFPARMXDAZQGT-GXSJLCMTSA-N 1 2 291.355 0.864 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014488241 650456336 /nfs/dbraw/zinc/45/63/36/650456336.db2.gz BUDCCPDPHDFELE-LBPRGKRZSA-N 1 2 287.367 0.476 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC(NCC#N)C1 ZINC000999426683 638981060 /nfs/dbraw/zinc/98/10/60/638981060.db2.gz ZIQRHPHBTBISCI-FIYWTHMPSA-N 1 2 287.367 0.626 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001014725773 650482462 /nfs/dbraw/zinc/48/24/62/650482462.db2.gz SBCYUNFKQKQVTQ-RYUDHWBXSA-N 1 2 290.367 0.352 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001014725773 650482464 /nfs/dbraw/zinc/48/24/64/650482464.db2.gz SBCYUNFKQKQVTQ-RYUDHWBXSA-N 1 2 290.367 0.352 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001014857153 640070059 /nfs/dbraw/zinc/07/00/59/640070059.db2.gz SNYCINPBTGTLQW-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001014857153 640070064 /nfs/dbraw/zinc/07/00/64/640070064.db2.gz SNYCINPBTGTLQW-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001015265421 650545320 /nfs/dbraw/zinc/54/53/20/650545320.db2.gz VJWJPVWEGCUQBT-LLVKDONJSA-N 1 2 269.308 0.662 20 30 CCEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)c(S(N)(=O)=O)c1 ZINC000807984752 640843830 /nfs/dbraw/zinc/84/38/30/640843830.db2.gz FEHVGFOAWQFFEI-UHFFFAOYSA-N 1 2 297.315 0.653 20 30 CCEDLO N#Cc1nc(F)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000809212936 640893467 /nfs/dbraw/zinc/89/34/67/640893467.db2.gz MOSULXHLFFJZJT-JTQLQIEISA-N 1 2 281.287 0.164 20 30 CCEDLO CCCC[N@H+](C[C@H](O)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000809576423 640900291 /nfs/dbraw/zinc/90/02/91/640900291.db2.gz VJSODYYFBQLRPE-VXGBXAGGSA-N 1 2 274.386 0.550 20 30 CCEDLO CCCC[N@@H+](C[C@H](O)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000809576423 640900296 /nfs/dbraw/zinc/90/02/96/640900296.db2.gz VJSODYYFBQLRPE-VXGBXAGGSA-N 1 2 274.386 0.550 20 30 CCEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)CC2CC2)n1 ZINC000810148954 640927552 /nfs/dbraw/zinc/92/75/52/640927552.db2.gz SNKUOWPJPCKFOM-UHFFFAOYSA-N 1 2 285.394 0.929 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001015787703 650629758 /nfs/dbraw/zinc/62/97/58/650629758.db2.gz ZYBUSEYTAKSIFQ-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001015787703 650629759 /nfs/dbraw/zinc/62/97/59/650629759.db2.gz ZYBUSEYTAKSIFQ-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC[C@@H](C)O ZINC000814963022 641086111 /nfs/dbraw/zinc/08/61/11/641086111.db2.gz AKFORULSARSRIR-SECBINFHSA-N 1 2 299.334 0.789 20 30 CCEDLO Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)c(C#N)cn1 ZINC000819919539 641439600 /nfs/dbraw/zinc/43/96/00/641439600.db2.gz OUEQSRUCDLMCRX-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[S@@](C)=O ZINC000827990167 642057942 /nfs/dbraw/zinc/05/79/42/642057942.db2.gz GVXBYILDUNRJJI-BIBXISHDSA-N 1 2 293.396 0.237 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[S@@](C)=O ZINC000827990167 642057947 /nfs/dbraw/zinc/05/79/47/642057947.db2.gz GVXBYILDUNRJJI-BIBXISHDSA-N 1 2 293.396 0.237 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CCN(CC#N)CC2 ZINC001016948929 650773143 /nfs/dbraw/zinc/77/31/43/650773143.db2.gz YADVNDCQEXGLRI-CYBMUJFWSA-N 1 2 287.367 0.755 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C#CC2CC2)C[C@H](C)O1 ZINC000837585058 642755497 /nfs/dbraw/zinc/75/54/97/642755497.db2.gz ZCDRZMMUTCNAPG-BETUJISGSA-N 1 2 264.369 0.967 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C#CC2CC2)C[C@H](C)O1 ZINC000837585058 642755503 /nfs/dbraw/zinc/75/55/03/642755503.db2.gz ZCDRZMMUTCNAPG-BETUJISGSA-N 1 2 264.369 0.967 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000842176114 642879604 /nfs/dbraw/zinc/87/96/04/642879604.db2.gz GAHZNTOULWUCTH-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000842176114 642879607 /nfs/dbraw/zinc/87/96/07/642879607.db2.gz GAHZNTOULWUCTH-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]n1 ZINC001017324727 650793880 /nfs/dbraw/zinc/79/38/80/650793880.db2.gz QBMQMAZQZTUJMG-PHIMTYICSA-N 1 2 272.308 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]n1 ZINC001017324727 650793882 /nfs/dbraw/zinc/79/38/82/650793882.db2.gz QBMQMAZQZTUJMG-PHIMTYICSA-N 1 2 272.308 0.104 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001017377643 650797884 /nfs/dbraw/zinc/79/78/84/650797884.db2.gz SAKSONQXAKIXIX-BETUJISGSA-N 1 2 258.325 0.722 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001017377643 650797885 /nfs/dbraw/zinc/79/78/85/650797885.db2.gz SAKSONQXAKIXIX-BETUJISGSA-N 1 2 258.325 0.722 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ncn1 ZINC001017485513 650805574 /nfs/dbraw/zinc/80/55/74/650805574.db2.gz WBBZKNFUTKRNJT-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ncn1 ZINC001017485513 650805577 /nfs/dbraw/zinc/80/55/77/650805577.db2.gz WBBZKNFUTKRNJT-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccncc12 ZINC001017620834 650814256 /nfs/dbraw/zinc/81/42/56/650814256.db2.gz GKMBPQZXCZPZIC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccncc12 ZINC001017620834 650814261 /nfs/dbraw/zinc/81/42/61/650814261.db2.gz GKMBPQZXCZPZIC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780085 650821363 /nfs/dbraw/zinc/82/13/63/650821363.db2.gz IPCOUECGZIAMKR-BETUJISGSA-N 1 2 273.340 0.472 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCOC1 ZINC001017847473 650826111 /nfs/dbraw/zinc/82/61/11/650826111.db2.gz PCDFZLNRQJZZIS-VNHYZAJKSA-N 1 2 280.343 0.814 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCOC1 ZINC001017847473 650826115 /nfs/dbraw/zinc/82/61/15/650826115.db2.gz PCDFZLNRQJZZIS-VNHYZAJKSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001018007416 650839601 /nfs/dbraw/zinc/83/96/01/650839601.db2.gz MKSJLJKISDAWAE-BETUJISGSA-N 1 2 292.770 0.845 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001018007416 650839604 /nfs/dbraw/zinc/83/96/04/650839604.db2.gz MKSJLJKISDAWAE-BETUJISGSA-N 1 2 292.770 0.845 20 30 CCEDLO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018633141 650887288 /nfs/dbraw/zinc/88/72/88/650887288.db2.gz UPNOMKKMZSUFLW-ONGXEEELSA-N 1 2 262.313 0.833 20 30 CCEDLO N#CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854025575 644171815 /nfs/dbraw/zinc/17/18/15/644171815.db2.gz QHAXBVYVADPCPH-LLVKDONJSA-N 1 2 252.318 0.016 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C#CC2CC2)[C@H](C)CO1 ZINC000855407588 644311191 /nfs/dbraw/zinc/31/11/91/644311191.db2.gz NNDYLQYSWXGXMX-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#CC2CC2)[C@H](C)CO1 ZINC000855407588 644311192 /nfs/dbraw/zinc/31/11/92/644311192.db2.gz NNDYLQYSWXGXMX-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO N#Cc1cccc(OCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000857888360 644573179 /nfs/dbraw/zinc/57/31/79/644573179.db2.gz SGXGQNJIBPPFBK-GFCCVEGCSA-N 1 2 282.303 0.875 20 30 CCEDLO O=S1(=O)CCC[C@@H](NN=C2CC[N@@H+]3CCC[C@@H]23)C1 ZINC000863134365 645062902 /nfs/dbraw/zinc/06/29/02/645062902.db2.gz PYTMAONVPLFXGK-PWSUYJOCSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC[C@@H](NN=C2CC[N@H+]3CCC[C@@H]23)C1 ZINC000863134365 645062908 /nfs/dbraw/zinc/06/29/08/645062908.db2.gz PYTMAONVPLFXGK-PWSUYJOCSA-N 1 2 271.386 0.377 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868959756 645835131 /nfs/dbraw/zinc/83/51/31/645835131.db2.gz LZCUUMVQMMDWKX-RPNDHJKISA-N 1 2 263.341 0.683 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+](CN2CC3(COC3)CC2=O)C1 ZINC000872624387 646300327 /nfs/dbraw/zinc/30/03/27/646300327.db2.gz NDGMGIVFHHJJDF-GFCCVEGCSA-N 1 2 263.341 0.818 20 30 CCEDLO N#CC[C@H]1CCC[N@H+](CN2CC3(COC3)CC2=O)C1 ZINC000872624387 646300332 /nfs/dbraw/zinc/30/03/32/646300332.db2.gz NDGMGIVFHHJJDF-GFCCVEGCSA-N 1 2 263.341 0.818 20 30 CCEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCCN(O)C1=O ZINC000879448657 647059573 /nfs/dbraw/zinc/05/95/73/647059573.db2.gz AKRCDFFBGNABMT-JTQLQIEISA-N 1 2 289.295 0.836 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ncccc2C)nn1 ZINC000881388229 647308516 /nfs/dbraw/zinc/30/85/16/647308516.db2.gz JBBWZXHTMYXUMW-UHFFFAOYSA-N 1 2 298.350 0.733 20 30 CCEDLO C[C@@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(F)F ZINC000886229841 647924760 /nfs/dbraw/zinc/92/47/60/647924760.db2.gz WQSMSRCNEFZAIC-LLVKDONJSA-N 1 2 261.272 0.060 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@]23CCOC3)nn1 ZINC000887456239 648111291 /nfs/dbraw/zinc/11/12/91/648111291.db2.gz BFHYWOPCTKSEOK-JSGCOSHPSA-N 1 2 260.341 0.818 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000932158542 649054230 /nfs/dbraw/zinc/05/42/30/649054230.db2.gz KQMHLRHWOQULJB-JTQLQIEISA-N 1 2 250.302 0.164 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000932158542 649054232 /nfs/dbraw/zinc/05/42/32/649054232.db2.gz KQMHLRHWOQULJB-JTQLQIEISA-N 1 2 250.302 0.164 20 30 CCEDLO C[N@H+](Cc1cncc(C#N)c1)C1CCS(=O)(=O)CC1 ZINC000721535195 805578415 /nfs/dbraw/zinc/57/84/15/805578415.db2.gz GREKLVLADMXFBE-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C[N@@H+](Cc1cncc(C#N)c1)C1CCS(=O)(=O)CC1 ZINC000721535195 805578419 /nfs/dbraw/zinc/57/84/19/805578419.db2.gz GREKLVLADMXFBE-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561956 805622924 /nfs/dbraw/zinc/62/29/24/805622924.db2.gz JXWWOPKWXIEUKF-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561956 805622930 /nfs/dbraw/zinc/62/29/30/805622930.db2.gz JXWWOPKWXIEUKF-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230596445 805630738 /nfs/dbraw/zinc/63/07/38/805630738.db2.gz WREVTVDHHFYIEG-GXTWGEPZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230596445 805630743 /nfs/dbraw/zinc/63/07/43/805630743.db2.gz WREVTVDHHFYIEG-GXTWGEPZSA-N 1 2 291.395 0.457 20 30 CCEDLO Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)on1 ZINC001266264579 790355529 /nfs/dbraw/zinc/35/55/29/790355529.db2.gz ZNFGCKJPBISWST-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1cc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)on1 ZINC001266264579 790355539 /nfs/dbraw/zinc/35/55/39/790355539.db2.gz ZNFGCKJPBISWST-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO COc1cncc(C[N@H+](C)CCNC(=O)C#CC(C)C)n1 ZINC001266273736 790377935 /nfs/dbraw/zinc/37/79/35/790377935.db2.gz ZWDLXAAXXHVUKG-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO COc1cncc(C[N@@H+](C)CCNC(=O)C#CC(C)C)n1 ZINC001266273736 790377948 /nfs/dbraw/zinc/37/79/48/790377948.db2.gz ZWDLXAAXXHVUKG-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)/C(C)=C\C)CC1 ZINC001266281255 790392453 /nfs/dbraw/zinc/39/24/53/790392453.db2.gz JUFKEAPMYDLNSO-RZNTYIFUSA-N 1 2 263.385 0.710 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001266314169 790490334 /nfs/dbraw/zinc/49/03/34/790490334.db2.gz GUSDKFFVEFEABD-JXDHDYMSSA-N 1 2 265.357 0.445 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001266314169 790490341 /nfs/dbraw/zinc/49/03/41/790490341.db2.gz GUSDKFFVEFEABD-JXDHDYMSSA-N 1 2 265.357 0.445 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319152 790497829 /nfs/dbraw/zinc/49/78/29/790497829.db2.gz HWULGMMEHWLWDP-GXTWGEPZSA-N 1 2 291.395 0.505 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319152 790497837 /nfs/dbraw/zinc/49/78/37/790497837.db2.gz HWULGMMEHWLWDP-GXTWGEPZSA-N 1 2 291.395 0.505 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cn1 ZINC001038173552 790580053 /nfs/dbraw/zinc/58/00/53/790580053.db2.gz AIIKPGUKPJTQOD-AWEZNQCLSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cn1 ZINC001038173552 790580060 /nfs/dbraw/zinc/58/00/60/790580060.db2.gz AIIKPGUKPJTQOD-AWEZNQCLSA-N 1 2 298.350 0.624 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266450290 790734217 /nfs/dbraw/zinc/73/42/17/790734217.db2.gz LMDSWWIAQQSKRE-LBPRGKRZSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266450290 790734224 /nfs/dbraw/zinc/73/42/24/790734224.db2.gz LMDSWWIAQQSKRE-LBPRGKRZSA-N 1 2 278.356 0.173 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](Cc1cnnn1C)C1CC1 ZINC001266590428 790992806 /nfs/dbraw/zinc/99/28/06/790992806.db2.gz JDKHSAWOAWWRFX-UHFFFAOYSA-N 1 2 289.383 0.555 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](Cc1cnnn1C)C1CC1 ZINC001266590428 790992817 /nfs/dbraw/zinc/99/28/17/790992817.db2.gz JDKHSAWOAWWRFX-UHFFFAOYSA-N 1 2 289.383 0.555 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784982 805665862 /nfs/dbraw/zinc/66/58/62/805665862.db2.gz IQDNWJKFYYJSBN-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784982 805665868 /nfs/dbraw/zinc/66/58/68/805665868.db2.gz IQDNWJKFYYJSBN-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230855017 805677283 /nfs/dbraw/zinc/67/72/83/805677283.db2.gz GHWRHEUZCXCNMT-UONOGXRCSA-N 1 2 282.384 0.594 20 30 CCEDLO CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230855017 805677288 /nfs/dbraw/zinc/67/72/88/805677288.db2.gz GHWRHEUZCXCNMT-UONOGXRCSA-N 1 2 282.384 0.594 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)ncn1 ZINC001231292496 805769227 /nfs/dbraw/zinc/76/92/27/805769227.db2.gz CWNGYWMIPILFKZ-SMDDNHRTSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)ncn1 ZINC001231292496 805769239 /nfs/dbraw/zinc/76/92/39/805769239.db2.gz CWNGYWMIPILFKZ-SMDDNHRTSA-N 1 2 287.367 0.977 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(C#N)ccc1O ZINC001232681252 805970358 /nfs/dbraw/zinc/97/03/58/805970358.db2.gz OLLHYALNUWODLD-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(C#N)ccc1O ZINC001232681252 805970364 /nfs/dbraw/zinc/97/03/64/805970364.db2.gz OLLHYALNUWODLD-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001266936776 791373559 /nfs/dbraw/zinc/37/35/59/791373559.db2.gz WOWDGNOIIKERIG-JTQLQIEISA-N 1 2 266.370 0.792 20 30 CCEDLO C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)NCC#N ZINC001266941289 791376170 /nfs/dbraw/zinc/37/61/70/791376170.db2.gz QIPZPZUFNRGFDT-GXFFZTMASA-N 1 2 290.371 0.408 20 30 CCEDLO C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)NCC#N ZINC001266941289 791376175 /nfs/dbraw/zinc/37/61/75/791376175.db2.gz QIPZPZUFNRGFDT-GXFFZTMASA-N 1 2 290.371 0.408 20 30 CCEDLO C[N@H+](CCNC(=O)[C@]12C[C@H]1CCCC2)CC(=O)NCC#N ZINC001267216254 791686675 /nfs/dbraw/zinc/68/66/75/791686675.db2.gz UUWBSKXRPRLCFU-IUODEOHRSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@]12C[C@H]1CCCC2)CC(=O)NCC#N ZINC001267216254 791686682 /nfs/dbraw/zinc/68/66/82/791686682.db2.gz UUWBSKXRPRLCFU-IUODEOHRSA-N 1 2 292.383 0.254 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1Cc1cnn(C)c1)C(=O)C#CC1CC1 ZINC001234177956 806196100 /nfs/dbraw/zinc/19/61/00/806196100.db2.gz GOMJDIZRNOOIKN-OAHLLOKOSA-N 1 2 286.379 0.866 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1Cc1cnn(C)c1)C(=O)C#CC1CC1 ZINC001234177956 806196102 /nfs/dbraw/zinc/19/61/02/806196102.db2.gz GOMJDIZRNOOIKN-OAHLLOKOSA-N 1 2 286.379 0.866 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001234162223 806193671 /nfs/dbraw/zinc/19/36/71/806193671.db2.gz QJRHUUVSJQUZNK-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001234162223 806193675 /nfs/dbraw/zinc/19/36/75/806193675.db2.gz QJRHUUVSJQUZNK-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187048 806199742 /nfs/dbraw/zinc/19/97/42/806199742.db2.gz SLIMJCGPVOJNFK-JSGCOSHPSA-N 1 2 291.395 0.409 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187048 806199744 /nfs/dbraw/zinc/19/97/44/806199744.db2.gz SLIMJCGPVOJNFK-JSGCOSHPSA-N 1 2 291.395 0.409 20 30 CCEDLO N#CCCN1CCC[C@]2(C1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC001277938577 806409723 /nfs/dbraw/zinc/40/97/23/806409723.db2.gz AXLNUHUMGMNJCQ-HNNXBMFYSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCCN1CCC[C@]2(C1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC001277938577 806409730 /nfs/dbraw/zinc/40/97/30/806409730.db2.gz AXLNUHUMGMNJCQ-HNNXBMFYSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCC[N@@H+]1CCC[C@@]2(CN(Cc3cn[nH]c3)CCO2)C1 ZINC001277938577 806409735 /nfs/dbraw/zinc/40/97/35/806409735.db2.gz AXLNUHUMGMNJCQ-HNNXBMFYSA-N 1 2 289.383 0.990 20 30 CCEDLO N#CCC[N@H+]1CCC[C@@]2(CN(Cc3cn[nH]c3)CCO2)C1 ZINC001277938577 806409744 /nfs/dbraw/zinc/40/97/44/806409744.db2.gz AXLNUHUMGMNJCQ-HNNXBMFYSA-N 1 2 289.383 0.990 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)C[C@@H]1CCN1CC#N ZINC001235742153 806499233 /nfs/dbraw/zinc/49/92/33/806499233.db2.gz LPSGEYMGAKNVPS-ZDUSSCGKSA-N 1 2 288.351 0.689 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001121278995 799025869 /nfs/dbraw/zinc/02/58/69/799025869.db2.gz OPQILHVQBJPRKU-MJVIPROJSA-N 1 2 277.372 0.185 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001121278995 799025877 /nfs/dbraw/zinc/02/58/77/799025877.db2.gz OPQILHVQBJPRKU-MJVIPROJSA-N 1 2 277.372 0.185 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001121502271 799053651 /nfs/dbraw/zinc/05/36/51/799053651.db2.gz SDCUDICUPUDZPL-UPJWGTAASA-N 1 2 289.383 0.545 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001121502271 799053654 /nfs/dbraw/zinc/05/36/54/799053654.db2.gz SDCUDICUPUDZPL-UPJWGTAASA-N 1 2 289.383 0.545 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123786913 799474017 /nfs/dbraw/zinc/47/40/17/799474017.db2.gz GDRQQNYUIQIFDB-UHFFFAOYSA-N 1 2 279.369 0.248 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123799349 799477850 /nfs/dbraw/zinc/47/78/50/799477850.db2.gz QGKGCGWWTPDVLH-MRVPVSSYSA-N 1 2 283.357 0.402 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1=O ZINC001123871801 799491254 /nfs/dbraw/zinc/49/12/54/799491254.db2.gz PKXKJAZFNQOJAE-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCSC[C@@H]1C#N ZINC001137891965 799693674 /nfs/dbraw/zinc/69/36/74/799693674.db2.gz JSQMYFCMVPDBLH-VIFPVBQESA-N 1 2 250.327 0.728 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001138170946 799708932 /nfs/dbraw/zinc/70/89/32/799708932.db2.gz LAYVJGRBBIQSAU-GFCCVEGCSA-N 1 2 291.355 0.935 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001138170946 799708935 /nfs/dbraw/zinc/70/89/35/799708935.db2.gz LAYVJGRBBIQSAU-GFCCVEGCSA-N 1 2 291.355 0.935 20 30 CCEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC001138871778 799765014 /nfs/dbraw/zinc/76/50/14/799765014.db2.gz QGLWYVHTSHVZFX-LBPRGKRZSA-N 1 2 259.309 0.896 20 30 CCEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC001138871778 799765017 /nfs/dbraw/zinc/76/50/17/799765017.db2.gz QGLWYVHTSHVZFX-LBPRGKRZSA-N 1 2 259.309 0.896 20 30 CCEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001276397050 799777732 /nfs/dbraw/zinc/77/77/32/799777732.db2.gz MNGBMZXDGIAHAL-WDEREUQCSA-N 1 2 288.413 0.432 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001139686935 799830226 /nfs/dbraw/zinc/83/02/26/799830226.db2.gz IDTBBCKLLKGOAF-GWCFXTLKSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001139686935 799830229 /nfs/dbraw/zinc/83/02/29/799830229.db2.gz IDTBBCKLLKGOAF-GWCFXTLKSA-N 1 2 266.728 0.997 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001278235166 806784552 /nfs/dbraw/zinc/78/45/52/806784552.db2.gz VTGJGTSFZLKLIF-MNOVXSKESA-N 1 2 278.360 0.255 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150246662 800326312 /nfs/dbraw/zinc/32/63/12/800326312.db2.gz GUPXWTKVCPCRAG-SWLSCSKDSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150246662 800326316 /nfs/dbraw/zinc/32/63/16/800326316.db2.gz GUPXWTKVCPCRAG-SWLSCSKDSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nonc1C ZINC001153081543 800594001 /nfs/dbraw/zinc/59/40/01/800594001.db2.gz SOUFJBLSLGKTMM-UHFFFAOYSA-N 1 2 268.317 0.177 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001153160257 800604336 /nfs/dbraw/zinc/60/43/36/800604336.db2.gz PLBHZYOUJUTFFM-NXEZZACHSA-N 1 2 282.344 0.736 20 30 CCEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(CCOC)n1 ZINC001155587001 801017424 /nfs/dbraw/zinc/01/74/24/801017424.db2.gz TUWAVGLRNCCMFN-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155841107 801063663 /nfs/dbraw/zinc/06/36/63/801063663.db2.gz CKISGFJWFWCCRU-DTWKUNHWSA-N 1 2 265.317 0.695 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc3[nH]cc(C#N)c32)C[NH2+]1 ZINC001156240901 801137604 /nfs/dbraw/zinc/13/76/04/801137604.db2.gz YZCBCFDXDANUGZ-IUCAKERBSA-N 1 2 286.295 0.145 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C#CC(C)C ZINC001157036773 801289517 /nfs/dbraw/zinc/28/95/17/801289517.db2.gz ILLHPPGNQHQWQM-LLVKDONJSA-N 1 2 263.297 0.269 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C#CC(C)C ZINC001157036773 801289519 /nfs/dbraw/zinc/28/95/19/801289519.db2.gz ILLHPPGNQHQWQM-LLVKDONJSA-N 1 2 263.297 0.269 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(OC)c1C#N ZINC001157770437 801477106 /nfs/dbraw/zinc/47/71/06/801477106.db2.gz JTHGGPIVBVDMDV-NSHDSACASA-N 1 2 290.323 0.255 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(OC)c1C#N ZINC001157770437 801477113 /nfs/dbraw/zinc/47/71/13/801477113.db2.gz JTHGGPIVBVDMDV-NSHDSACASA-N 1 2 290.323 0.255 20 30 CCEDLO N#Cc1cc(-n2[nH]c(=O)nc2C[NH3+])nc2ccccc12 ZINC001157940904 801533523 /nfs/dbraw/zinc/53/35/23/801533523.db2.gz MFLZYEBAFVXRPB-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncnc(Cl)c1C#N ZINC001161946394 802250099 /nfs/dbraw/zinc/25/00/99/802250099.db2.gz XJAKJYMAOAJWMI-SSDOTTSWSA-N 1 2 269.692 0.304 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2c(C#N)c[nH]c2n1 ZINC001161949825 802255559 /nfs/dbraw/zinc/25/55/59/802255559.db2.gz BUOSALORGBGSDG-SNVBAGLBSA-N 1 2 273.296 0.737 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccc(F)c2C)C1 ZINC001278868117 808382625 /nfs/dbraw/zinc/38/26/25/808382625.db2.gz NTKWVRNGISKKFL-UHFFFAOYSA-N 1 2 290.338 0.934 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC001261210222 808926796 /nfs/dbraw/zinc/92/67/96/808926796.db2.gz GPUWYEAYYNMAFQ-SNVBAGLBSA-N 1 2 250.302 0.609 20 30 CCEDLO CCC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001264367432 809645183 /nfs/dbraw/zinc/64/51/83/809645183.db2.gz YGEGSLWOCJFOBN-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO CCC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001264367432 809645189 /nfs/dbraw/zinc/64/51/89/809645189.db2.gz YGEGSLWOCJFOBN-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)cc(C#N)n2)C[NH2+]1 ZINC001164302396 802715003 /nfs/dbraw/zinc/71/50/03/802715003.db2.gz SUMZGCMDOAMPJT-YUMQZZPRSA-N 1 2 281.703 0.317 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164323865 802723350 /nfs/dbraw/zinc/72/33/50/802723350.db2.gz MGLJZODRBMZJEJ-NSHDSACASA-N 1 2 280.376 0.408 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164652962 802776338 /nfs/dbraw/zinc/77/63/38/802776338.db2.gz WKEVINXWUCUUIT-MRVPVSSYSA-N 1 2 272.268 0.773 20 30 CCEDLO CC1CC(C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001268232975 812391658 /nfs/dbraw/zinc/39/16/58/812391658.db2.gz SATBBJRAZRDMFN-UHFFFAOYSA-N 1 2 280.372 0.062 20 30 CCEDLO CC1CC(C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001268232975 812391667 /nfs/dbraw/zinc/39/16/67/812391667.db2.gz SATBBJRAZRDMFN-UHFFFAOYSA-N 1 2 280.372 0.062 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)C1 ZINC001167007784 803010949 /nfs/dbraw/zinc/01/09/49/803010949.db2.gz PHBMLBMAGNXSTG-QWHCGFSZSA-N 1 2 299.378 0.780 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001167007784 803010956 /nfs/dbraw/zinc/01/09/56/803010956.db2.gz PHBMLBMAGNXSTG-QWHCGFSZSA-N 1 2 299.378 0.780 20 30 CCEDLO CCOC(=O)CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207103271 803354087 /nfs/dbraw/zinc/35/40/87/803354087.db2.gz SHSYNEMOSUHHEP-UHFFFAOYSA-N 1 2 290.367 0.577 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C ZINC001207108477 803354113 /nfs/dbraw/zinc/35/41/13/803354113.db2.gz CNIXSSUKVQWLQE-CYBMUJFWSA-N 1 2 276.340 0.186 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C ZINC001207108477 803354117 /nfs/dbraw/zinc/35/41/17/803354117.db2.gz CNIXSSUKVQWLQE-CYBMUJFWSA-N 1 2 276.340 0.186 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001208020027 803481148 /nfs/dbraw/zinc/48/11/48/803481148.db2.gz JTMLXEUUTPBTPP-UHFFFAOYSA-N 1 2 261.391 0.377 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211947266 814940563 /nfs/dbraw/zinc/94/05/63/814940563.db2.gz PDMLYYUPTIWALI-VXGBXAGGSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211947266 814940567 /nfs/dbraw/zinc/94/05/67/814940567.db2.gz PDMLYYUPTIWALI-VXGBXAGGSA-N 1 2 270.398 0.578 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208963205 803558076 /nfs/dbraw/zinc/55/80/76/803558076.db2.gz IQKPEWAKENCKFL-GHMZBOCLSA-N 1 2 267.373 0.511 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208963205 803558079 /nfs/dbraw/zinc/55/80/79/803558079.db2.gz IQKPEWAKENCKFL-GHMZBOCLSA-N 1 2 267.373 0.511 20 30 CCEDLO C=C[C@@H]1O[C@@H](OCC[NH+]2CCOCC2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001210224723 803642551 /nfs/dbraw/zinc/64/25/51/803642551.db2.gz FOYLUOWOZMUDBI-XDQVBPFNSA-N 1 2 299.367 0.766 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276686449 803653291 /nfs/dbraw/zinc/65/32/91/803653291.db2.gz CXGJINUZZNXJIN-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276686449 803653292 /nfs/dbraw/zinc/65/32/92/803653292.db2.gz CXGJINUZZNXJIN-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276686449 803653293 /nfs/dbraw/zinc/65/32/93/803653293.db2.gz CXGJINUZZNXJIN-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276686449 803653294 /nfs/dbraw/zinc/65/32/94/803653294.db2.gz CXGJINUZZNXJIN-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1OC ZINC001213350223 803691599 /nfs/dbraw/zinc/69/15/99/803691599.db2.gz NNNQKHHDTVATGD-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1OC ZINC001213350223 803691600 /nfs/dbraw/zinc/69/16/00/803691600.db2.gz NNNQKHHDTVATGD-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)[C@H](OC)C1 ZINC001213470227 803695530 /nfs/dbraw/zinc/69/55/30/803695530.db2.gz JIYGKCJIDDNBJA-VXGBXAGGSA-N 1 2 268.332 0.575 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CCC2)[C@H](OC)C1 ZINC001213470227 803695533 /nfs/dbraw/zinc/69/55/33/803695533.db2.gz JIYGKCJIDDNBJA-VXGBXAGGSA-N 1 2 268.332 0.575 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211990278 814964605 /nfs/dbraw/zinc/96/46/05/814964605.db2.gz GMLQASGVVNCNOF-IACUBPJLSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211990278 814964610 /nfs/dbraw/zinc/96/46/10/814964610.db2.gz GMLQASGVVNCNOF-IACUBPJLSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001276771978 803931922 /nfs/dbraw/zinc/93/19/22/803931922.db2.gz LONMJOVOWAURCF-AAEUAGOBSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001276771978 803931934 /nfs/dbraw/zinc/93/19/34/803931934.db2.gz LONMJOVOWAURCF-AAEUAGOBSA-N 1 2 277.368 0.115 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001276774657 803934191 /nfs/dbraw/zinc/93/41/91/803934191.db2.gz ZCQXZFBUEJHFFB-AWEZNQCLSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001276774657 803934197 /nfs/dbraw/zinc/93/41/97/803934197.db2.gz ZCQXZFBUEJHFFB-AWEZNQCLSA-N 1 2 291.395 0.788 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212055338 814986250 /nfs/dbraw/zinc/98/62/50/814986250.db2.gz HPPOJNOSLRMYRS-RRFJBIMHSA-N 1 2 296.411 0.888 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212055338 814986255 /nfs/dbraw/zinc/98/62/55/814986255.db2.gz HPPOJNOSLRMYRS-RRFJBIMHSA-N 1 2 296.411 0.888 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219103393 804200013 /nfs/dbraw/zinc/20/00/13/804200013.db2.gz ZUQOZFZMPVMIBK-CVEARBPZSA-N 1 2 286.375 1.000 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219103393 804200018 /nfs/dbraw/zinc/20/00/18/804200018.db2.gz ZUQOZFZMPVMIBK-CVEARBPZSA-N 1 2 286.375 1.000 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@@H](O)C1 ZINC001219234884 804243628 /nfs/dbraw/zinc/24/36/28/804243628.db2.gz DLLCTBNLTWQJRR-MJBXVCDLSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@@H](O)C1 ZINC001219234884 804243633 /nfs/dbraw/zinc/24/36/33/804243633.db2.gz DLLCTBNLTWQJRR-MJBXVCDLSA-N 1 2 266.385 0.997 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@@H](O)C1 ZINC001219290683 804260714 /nfs/dbraw/zinc/26/07/14/804260714.db2.gz BQRUAVHPRHEFSH-MJBXVCDLSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@@H](O)C1 ZINC001219290683 804260723 /nfs/dbraw/zinc/26/07/23/804260723.db2.gz BQRUAVHPRHEFSH-MJBXVCDLSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 ZINC001219459190 804320329 /nfs/dbraw/zinc/32/03/29/804320329.db2.gz QVEBFFIRIYFTFY-MNOVXSKESA-N 1 2 254.305 0.434 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 ZINC001219459190 804320338 /nfs/dbraw/zinc/32/03/38/804320338.db2.gz QVEBFFIRIYFTFY-MNOVXSKESA-N 1 2 254.305 0.434 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219541481 804341714 /nfs/dbraw/zinc/34/17/14/804341714.db2.gz JJGWPUBQVAGKBA-OXTPZFROSA-N 1 2 270.760 0.704 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219541481 804341720 /nfs/dbraw/zinc/34/17/20/804341720.db2.gz JJGWPUBQVAGKBA-OXTPZFROSA-N 1 2 270.760 0.704 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(Cc3ccccc3)CC2)[C@@H](O)C1 ZINC001219821225 804428053 /nfs/dbraw/zinc/42/80/53/804428053.db2.gz FQZMLQIBNFOBBU-CVEARBPZSA-N 1 2 298.386 0.804 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(Cc3ccccc3)CC2)[C@@H](O)C1 ZINC001219821225 804428060 /nfs/dbraw/zinc/42/80/60/804428060.db2.gz FQZMLQIBNFOBBU-CVEARBPZSA-N 1 2 298.386 0.804 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001220141393 804511772 /nfs/dbraw/zinc/51/17/72/804511772.db2.gz QVAGTVZOEYWMMS-KGLIPLIRSA-N 1 2 289.379 0.955 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001220141393 804511775 /nfs/dbraw/zinc/51/17/75/804511775.db2.gz QVAGTVZOEYWMMS-KGLIPLIRSA-N 1 2 289.379 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220190425 804532151 /nfs/dbraw/zinc/53/21/51/804532151.db2.gz LYEGFENCBKTZQN-UPJWGTAASA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220190425 804532153 /nfs/dbraw/zinc/53/21/53/804532153.db2.gz LYEGFENCBKTZQN-UPJWGTAASA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@@H](O)C1 ZINC001220369420 804584028 /nfs/dbraw/zinc/58/40/28/804584028.db2.gz IVDGKOOJTNJWHC-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@@H](O)C1 ZINC001220369420 804584033 /nfs/dbraw/zinc/58/40/33/804584033.db2.gz IVDGKOOJTNJWHC-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@@H](O)C1 ZINC001220629218 804639106 /nfs/dbraw/zinc/63/91/06/804639106.db2.gz XXDGTPMSGSBBDR-ZNMIVQPWSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@@H](O)C1 ZINC001220629218 804639110 /nfs/dbraw/zinc/63/91/10/804639110.db2.gz XXDGTPMSGSBBDR-ZNMIVQPWSA-N 1 2 296.411 0.480 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@@H](O)C1 ZINC001220871430 804685981 /nfs/dbraw/zinc/68/59/81/804685981.db2.gz FQWXYNKEJVUENP-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@@H](O)C1 ZINC001220871430 804685983 /nfs/dbraw/zinc/68/59/83/804685983.db2.gz FQWXYNKEJVUENP-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221148233 804734906 /nfs/dbraw/zinc/73/49/06/804734906.db2.gz VOKQHFLXSHYHQM-ZNMIVQPWSA-N 1 2 296.411 0.622 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221148233 804734911 /nfs/dbraw/zinc/73/49/11/804734911.db2.gz VOKQHFLXSHYHQM-ZNMIVQPWSA-N 1 2 296.411 0.622 20 30 CCEDLO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001221532226 804829813 /nfs/dbraw/zinc/82/98/13/804829813.db2.gz VRFPEAXXZRUAGJ-ZIAGYGMSSA-N 1 2 289.379 0.069 20 30 CCEDLO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001221532226 804829821 /nfs/dbraw/zinc/82/98/21/804829821.db2.gz VRFPEAXXZRUAGJ-ZIAGYGMSSA-N 1 2 289.379 0.069 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731335 804838313 /nfs/dbraw/zinc/83/83/13/804838313.db2.gz BPQSPOSUAWPIBZ-YUSALJHKSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731335 804838321 /nfs/dbraw/zinc/83/83/21/804838321.db2.gz BPQSPOSUAWPIBZ-YUSALJHKSA-N 1 2 299.802 0.783 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221965161 804855742 /nfs/dbraw/zinc/85/57/42/804855742.db2.gz FFPYEMXYIXKQLB-CHWSQXEVSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221965161 804855748 /nfs/dbraw/zinc/85/57/48/804855748.db2.gz FFPYEMXYIXKQLB-CHWSQXEVSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001276836324 804932579 /nfs/dbraw/zinc/93/25/79/804932579.db2.gz VPHXMAWVKOGZQD-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001276836324 804932586 /nfs/dbraw/zinc/93/25/86/804932586.db2.gz VPHXMAWVKOGZQD-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001276908312 804984777 /nfs/dbraw/zinc/98/47/77/804984777.db2.gz GCGIVGIJEWKYEH-DGCLKSJQSA-N 1 2 254.305 0.329 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001276908312 804984784 /nfs/dbraw/zinc/98/47/84/804984784.db2.gz GCGIVGIJEWKYEH-DGCLKSJQSA-N 1 2 254.305 0.329 20 30 CCEDLO Cc1cc(=O)c(C#N)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]1 ZINC001225469672 805131468 /nfs/dbraw/zinc/13/14/68/805131468.db2.gz MUXCOURHFKNPNP-SNVBAGLBSA-O 1 2 294.331 0.330 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(C#N)ccc2F)no1 ZINC001247630904 807473947 /nfs/dbraw/zinc/47/39/47/807473947.db2.gz ONTLWHYXNYVFQV-JTQLQIEISA-N 1 2 290.254 0.790 20 30 CCEDLO C[C@@]1(CNCC#N)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001278588781 807606501 /nfs/dbraw/zinc/60/65/01/807606501.db2.gz ITIPEMQTDJHYJF-ZDUSSCGKSA-N 1 2 261.329 0.235 20 30 CCEDLO N#Cc1nc(Cl)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251003629 807635603 /nfs/dbraw/zinc/63/56/03/807635603.db2.gz NOUSKZNZMZEAFZ-SNVBAGLBSA-N 1 2 296.758 0.712 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251046116 807647989 /nfs/dbraw/zinc/64/79/89/807647989.db2.gz LFNVPDHGWMMXHW-ZIAGYGMSSA-N 1 2 269.389 0.597 20 30 CCEDLO COc1cc(C#N)cc(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251031350 807649161 /nfs/dbraw/zinc/64/91/61/807649161.db2.gz KSJKHJMHHUTTIA-AWEZNQCLSA-N 1 2 291.351 0.672 20 30 CCEDLO Cc1nnc(C[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126828236 815142174 /nfs/dbraw/zinc/14/21/74/815142174.db2.gz PEDUJHPGTVDTQA-UHFFFAOYSA-N 1 2 250.302 0.243 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001251880482 807731357 /nfs/dbraw/zinc/73/13/57/807731357.db2.gz AIZLOFJIQXSJJU-SRVKXCTJSA-N 1 2 257.330 0.174 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001252465357 807877694 /nfs/dbraw/zinc/87/76/94/807877694.db2.gz FPUUUOAOUVIJKG-FQUUOJAGSA-N 1 2 299.367 0.202 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001252465357 807877698 /nfs/dbraw/zinc/87/76/98/807877698.db2.gz FPUUUOAOUVIJKG-FQUUOJAGSA-N 1 2 299.367 0.202 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001252467911 807879769 /nfs/dbraw/zinc/87/97/69/807879769.db2.gz IBCJGVNRQYQDSZ-GFCCVEGCSA-N 1 2 276.327 0.575 20 30 CCEDLO C=C[C@@](C)(O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252582882 807914171 /nfs/dbraw/zinc/91/41/71/807914171.db2.gz YKBWWOLXRBWTKV-DGCLKSJQSA-N 1 2 267.329 0.031 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](O)C1 ZINC001083493511 815161492 /nfs/dbraw/zinc/16/14/92/815161492.db2.gz DJTHMYIISDBQLO-MNOVXSKESA-N 1 2 283.278 0.321 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](O)C1 ZINC001083493511 815161494 /nfs/dbraw/zinc/16/14/94/815161494.db2.gz DJTHMYIISDBQLO-MNOVXSKESA-N 1 2 283.278 0.321 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3=CCCC3)C2)nn1 ZINC001098657643 815165872 /nfs/dbraw/zinc/16/58/72/815165872.db2.gz YSETZQMPVGZIRI-OAHLLOKOSA-N 1 2 299.378 0.885 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)C=C ZINC001253576245 808083365 /nfs/dbraw/zinc/08/33/65/808083365.db2.gz LAVHTRCHEUMEAR-DGCLKSJQSA-N 1 2 278.356 0.464 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)C=C ZINC001253576245 808083372 /nfs/dbraw/zinc/08/33/72/808083372.db2.gz LAVHTRCHEUMEAR-DGCLKSJQSA-N 1 2 278.356 0.464 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001253578065 808085261 /nfs/dbraw/zinc/08/52/61/808085261.db2.gz UWTQSEDMRGOXNJ-NEPJUHHUSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001253578065 808085264 /nfs/dbraw/zinc/08/52/64/808085264.db2.gz UWTQSEDMRGOXNJ-NEPJUHHUSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001253586112 808092286 /nfs/dbraw/zinc/09/22/86/808092286.db2.gz JEOQYDHUHMWGSD-VIFPVBQESA-N 1 2 265.313 0.491 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001253586112 808092291 /nfs/dbraw/zinc/09/22/91/808092291.db2.gz JEOQYDHUHMWGSD-VIFPVBQESA-N 1 2 265.313 0.491 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001126880818 815180623 /nfs/dbraw/zinc/18/06/23/815180623.db2.gz BPSKZVXICUHFKM-UHFFFAOYSA-N 1 2 288.351 0.956 20 30 CCEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001255202651 808331443 /nfs/dbraw/zinc/33/14/43/808331443.db2.gz GPXWDPGEEGTPLH-XJFOESAGSA-N 1 2 292.383 0.936 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001278872823 808407406 /nfs/dbraw/zinc/40/74/06/808407406.db2.gz UQGVSNSGWYSAJR-NSHDSACASA-N 1 2 270.373 0.132 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001038120770 815205511 /nfs/dbraw/zinc/20/55/11/815205511.db2.gz SPPZMWDNYVTKOK-CYBMUJFWSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001038120770 815205512 /nfs/dbraw/zinc/20/55/12/815205512.db2.gz SPPZMWDNYVTKOK-CYBMUJFWSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)/C(C)=C/C)C(C)C ZINC001278899289 808440732 /nfs/dbraw/zinc/44/07/32/808440732.db2.gz HCUYTRPEFQPSIZ-RIYZIHGNSA-N 1 2 293.411 0.871 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)/C(C)=C/C)C(C)C ZINC001278899289 808440739 /nfs/dbraw/zinc/44/07/39/808440739.db2.gz HCUYTRPEFQPSIZ-RIYZIHGNSA-N 1 2 293.411 0.871 20 30 CCEDLO COC(=O)NC1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001262167828 809216081 /nfs/dbraw/zinc/21/60/81/809216081.db2.gz BHBHOUSTMREYJS-NSHDSACASA-N 1 2 267.329 0.471 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CCC1 ZINC001262191220 809233333 /nfs/dbraw/zinc/23/33/33/809233333.db2.gz NMYITUGCQOVTRQ-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC1 ZINC001262191220 809233337 /nfs/dbraw/zinc/23/33/37/809233337.db2.gz NMYITUGCQOVTRQ-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001262228432 809252691 /nfs/dbraw/zinc/25/26/91/809252691.db2.gz DPIPXTROSWSESE-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265205689 809723161 /nfs/dbraw/zinc/72/31/61/809723161.db2.gz LZBNKCNBHURLEG-XLVZXTRVSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265205689 809723164 /nfs/dbraw/zinc/72/31/64/809723164.db2.gz LZBNKCNBHURLEG-XLVZXTRVSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265261513 809734181 /nfs/dbraw/zinc/73/41/81/809734181.db2.gz LQIAATSJQHGTFH-ZIAGYGMSSA-N 1 2 292.427 0.926 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001265263955 809734587 /nfs/dbraw/zinc/73/45/87/809734587.db2.gz CVINLMZAFWMUGV-HUUCEWRRSA-N 1 2 293.411 0.169 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC001265296981 809750434 /nfs/dbraw/zinc/75/04/34/809750434.db2.gz HVXBMQKUOLHNPB-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC001265296981 809750437 /nfs/dbraw/zinc/75/04/37/809750437.db2.gz HVXBMQKUOLHNPB-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076652498 815329424 /nfs/dbraw/zinc/32/94/24/815329424.db2.gz XVDCAFMUHSZPLH-ZIAGYGMSSA-N 1 2 291.326 0.769 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076652498 815329430 /nfs/dbraw/zinc/32/94/30/815329430.db2.gz XVDCAFMUHSZPLH-ZIAGYGMSSA-N 1 2 291.326 0.769 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280211953 810009338 /nfs/dbraw/zinc/00/93/38/810009338.db2.gz ATYVOTWGGRUZFI-RYUDHWBXSA-N 1 2 278.356 0.859 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCCCOC ZINC001280400042 810014510 /nfs/dbraw/zinc/01/45/10/810014510.db2.gz VDZAVHRSSJGSNB-AWEZNQCLSA-N 1 2 282.384 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCCOC ZINC001280400042 810014515 /nfs/dbraw/zinc/01/45/15/810014515.db2.gz VDZAVHRSSJGSNB-AWEZNQCLSA-N 1 2 282.384 0.643 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001280414664 810016950 /nfs/dbraw/zinc/01/69/50/810016950.db2.gz CNTSRRCWLJWTDV-CHWSQXEVSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001280414664 810016954 /nfs/dbraw/zinc/01/69/54/810016954.db2.gz CNTSRRCWLJWTDV-CHWSQXEVSA-N 1 2 286.372 0.041 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001280413159 810017260 /nfs/dbraw/zinc/01/72/60/810017260.db2.gz XFWMTYPUAJKJFT-UONOGXRCSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001280413159 810017264 /nfs/dbraw/zinc/01/72/64/810017264.db2.gz XFWMTYPUAJKJFT-UONOGXRCSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001076834390 815389306 /nfs/dbraw/zinc/38/93/06/815389306.db2.gz PSMNDWNKFDUSLW-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001076834390 815389312 /nfs/dbraw/zinc/38/93/12/815389312.db2.gz PSMNDWNKFDUSLW-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)CC ZINC001267283081 811092038 /nfs/dbraw/zinc/09/20/38/811092038.db2.gz UTLZYZRURWGQCC-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)CC ZINC001267283081 811092045 /nfs/dbraw/zinc/09/20/45/811092045.db2.gz UTLZYZRURWGQCC-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001267375616 811234860 /nfs/dbraw/zinc/23/48/60/811234860.db2.gz ONLBVRFZXQGEHT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[NH2+]CCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001267375616 811234864 /nfs/dbraw/zinc/23/48/64/811234864.db2.gz ONLBVRFZXQGEHT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H](OC)C1 ZINC001212126859 815435908 /nfs/dbraw/zinc/43/59/08/815435908.db2.gz AVTOXUVCASBYQC-MGPQQGTHSA-N 1 2 294.395 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H](OC)C1 ZINC001212126859 815435909 /nfs/dbraw/zinc/43/59/09/815435909.db2.gz AVTOXUVCASBYQC-MGPQQGTHSA-N 1 2 294.395 0.498 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001058562227 811320829 /nfs/dbraw/zinc/32/08/29/811320829.db2.gz GFXGBXGOJPQPNI-NSHDSACASA-N 1 2 297.322 0.009 20 30 CCEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1F ZINC001140752140 811385133 /nfs/dbraw/zinc/38/51/33/811385133.db2.gz GOFIDDYAQXDUNM-RNCFNFMXSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1c(F)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1F ZINC001140752140 811385141 /nfs/dbraw/zinc/38/51/41/811385141.db2.gz GOFIDDYAQXDUNM-RNCFNFMXSA-N 1 2 268.263 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001098168132 811505357 /nfs/dbraw/zinc/50/53/57/811505357.db2.gz UOMPTTPUGMMLQJ-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001267617795 811574833 /nfs/dbraw/zinc/57/48/33/811574833.db2.gz KMNLCXQZSAIULQ-GFCCVEGCSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001267617795 811574838 /nfs/dbraw/zinc/57/48/38/811574838.db2.gz KMNLCXQZSAIULQ-GFCCVEGCSA-N 1 2 267.373 0.669 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CNC(=O)C2CCCCC2)C1 ZINC001267668345 811633078 /nfs/dbraw/zinc/63/30/78/811633078.db2.gz GUWJICAHAHAENR-UHFFFAOYSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001267691962 811656203 /nfs/dbraw/zinc/65/62/03/811656203.db2.gz XONCXRJLYKLICP-INIZCTEOSA-N 1 2 291.395 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)C ZINC001267704270 811668447 /nfs/dbraw/zinc/66/84/47/811668447.db2.gz KYRJYZIHUKHBGD-STQMWFEESA-N 1 2 250.342 0.720 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)C ZINC001267704270 811668451 /nfs/dbraw/zinc/66/84/51/811668451.db2.gz KYRJYZIHUKHBGD-STQMWFEESA-N 1 2 250.342 0.720 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001267717952 811679063 /nfs/dbraw/zinc/67/90/63/811679063.db2.gz RSPZBZOAWJWLPE-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001267717952 811679070 /nfs/dbraw/zinc/67/90/70/811679070.db2.gz RSPZBZOAWJWLPE-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267723390 811689150 /nfs/dbraw/zinc/68/91/50/811689150.db2.gz ASDFOMQYFAORBA-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267723390 811689155 /nfs/dbraw/zinc/68/91/55/811689155.db2.gz ASDFOMQYFAORBA-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001267736727 811706534 /nfs/dbraw/zinc/70/65/34/811706534.db2.gz KZGOZCAKQGXKBR-CHWSQXEVSA-N 1 2 290.367 0.173 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001267736727 811706538 /nfs/dbraw/zinc/70/65/38/811706538.db2.gz KZGOZCAKQGXKBR-CHWSQXEVSA-N 1 2 290.367 0.173 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001077277408 815470882 /nfs/dbraw/zinc/47/08/82/815470882.db2.gz XGSOWOPJZMQWQK-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001077277408 815470887 /nfs/dbraw/zinc/47/08/87/815470887.db2.gz XGSOWOPJZMQWQK-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CC#C)nn2)C1 ZINC001105219751 811864390 /nfs/dbraw/zinc/86/43/90/811864390.db2.gz OTDCGUZEZASBAO-UHFFFAOYSA-N 1 2 299.378 0.578 20 30 CCEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105225280 811868365 /nfs/dbraw/zinc/86/83/65/811868365.db2.gz OYTKTWCIBNBKET-UHFFFAOYSA-N 1 2 293.346 0.524 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C4CC4)CC3)C2)nn1 ZINC001105265583 811878945 /nfs/dbraw/zinc/87/89/45/811878945.db2.gz CQRMQMGQYUWKEL-UHFFFAOYSA-N 1 2 299.378 0.574 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001125939130 811898209 /nfs/dbraw/zinc/89/82/09/811898209.db2.gz UWCMDDWMLSNDLH-UHFFFAOYSA-N 1 2 250.302 0.469 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001038751045 812037857 /nfs/dbraw/zinc/03/78/57/812037857.db2.gz HMWMVEBPMIAFGP-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001038751045 812037867 /nfs/dbraw/zinc/03/78/67/812037867.db2.gz HMWMVEBPMIAFGP-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865439 812105346 /nfs/dbraw/zinc/10/53/46/812105346.db2.gz NNRDUXYLYCBLER-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027865439 812105352 /nfs/dbraw/zinc/10/53/52/812105352.db2.gz NNRDUXYLYCBLER-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@@H](O)C1 ZINC001083319095 812219588 /nfs/dbraw/zinc/21/95/88/812219588.db2.gz ZDAWUQYUAKNGJE-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@@H](O)C1 ZINC001083319095 812219592 /nfs/dbraw/zinc/21/95/92/812219592.db2.gz ZDAWUQYUAKNGJE-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1conc1COC ZINC001038913537 812336527 /nfs/dbraw/zinc/33/65/27/812336527.db2.gz PGWFPCMOHHFWEO-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1COC ZINC001038913537 812336530 /nfs/dbraw/zinc/33/65/30/812336530.db2.gz PGWFPCMOHHFWEO-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](O)C1 ZINC001083596631 815524641 /nfs/dbraw/zinc/52/46/41/815524641.db2.gz ILPJJAVHTJRRLY-OLZOCXBDSA-N 1 2 290.367 0.331 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](O)C1 ZINC001083596631 815524644 /nfs/dbraw/zinc/52/46/44/815524644.db2.gz ILPJJAVHTJRRLY-OLZOCXBDSA-N 1 2 290.367 0.331 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001268256950 812424605 /nfs/dbraw/zinc/42/46/05/812424605.db2.gz IOIQCRAHOMHTJS-LLVKDONJSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001268259757 812429136 /nfs/dbraw/zinc/42/91/36/812429136.db2.gz PVXDOOZBQSJTSL-UHFFFAOYSA-N 1 2 290.363 0.682 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCC1(CNCC#N)CC1 ZINC001167895242 812434153 /nfs/dbraw/zinc/43/41/53/812434153.db2.gz ZITQYACPNJTBKG-UHFFFAOYSA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001268280135 812442512 /nfs/dbraw/zinc/44/25/12/812442512.db2.gz HINAFRFXZQBFTM-CQSZACIVSA-N 1 2 252.358 0.914 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126339179 812459067 /nfs/dbraw/zinc/45/90/67/812459067.db2.gz RYWDDLSTXHBCBK-UHFFFAOYSA-N 1 2 276.340 0.956 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001126344213 812531785 /nfs/dbraw/zinc/53/17/85/812531785.db2.gz PXZOKMXYFQTQHV-SNVBAGLBSA-N 1 2 264.329 0.948 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2cn(C)nc2C)C1 ZINC001268455379 812595651 /nfs/dbraw/zinc/59/56/51/812595651.db2.gz GBYYKFODFJSYPD-UHFFFAOYSA-N 1 2 274.368 0.485 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268485658 812662613 /nfs/dbraw/zinc/66/26/13/812662613.db2.gz VXZYXVZMIVJUEL-CQSZACIVSA-N 1 2 295.427 0.721 20 30 CCEDLO C#CCCCC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001268534083 812779143 /nfs/dbraw/zinc/77/91/43/812779143.db2.gz RRHPIMSDRGEOHN-SREVYHEPSA-N 1 2 275.356 0.381 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001126384545 812846108 /nfs/dbraw/zinc/84/61/08/812846108.db2.gz OUCDBTYHDKLQSC-QMTHXVAHSA-N 1 2 296.371 0.726 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](O)C1 ZINC001083623707 815560772 /nfs/dbraw/zinc/56/07/72/815560772.db2.gz UXJBBJZNQJJAAE-PWSUYJOCSA-N 1 2 281.743 0.087 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](O)C1 ZINC001083623707 815560775 /nfs/dbraw/zinc/56/07/75/815560775.db2.gz UXJBBJZNQJJAAE-PWSUYJOCSA-N 1 2 281.743 0.087 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083346042 812898370 /nfs/dbraw/zinc/89/83/70/812898370.db2.gz NXFWERFOVZYTJD-OLZOCXBDSA-N 1 2 293.392 0.937 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083346042 812898375 /nfs/dbraw/zinc/89/83/75/812898375.db2.gz NXFWERFOVZYTJD-OLZOCXBDSA-N 1 2 293.392 0.937 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001127026997 815564103 /nfs/dbraw/zinc/56/41/03/815564103.db2.gz CSSAZANDEAETGG-LLVKDONJSA-N 1 2 294.355 0.439 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028636584 813073950 /nfs/dbraw/zinc/07/39/50/813073950.db2.gz CUOBZLMRCKWGRJ-CHWSQXEVSA-N 1 2 287.367 0.407 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](O)C1 ZINC001083637588 815580000 /nfs/dbraw/zinc/58/00/00/815580000.db2.gz DGSZNTXNDLGCJR-OLZOCXBDSA-N 1 2 291.351 0.514 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](O)C1 ZINC001083637588 815580006 /nfs/dbraw/zinc/58/00/06/815580006.db2.gz DGSZNTXNDLGCJR-OLZOCXBDSA-N 1 2 291.351 0.514 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001269052239 813194481 /nfs/dbraw/zinc/19/44/81/813194481.db2.gz YZCXZPICMSVINT-BBRMVZONSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001269052239 813194485 /nfs/dbraw/zinc/19/44/85/813194485.db2.gz YZCXZPICMSVINT-BBRMVZONSA-N 1 2 291.395 0.835 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126619 813229419 /nfs/dbraw/zinc/22/94/19/813229419.db2.gz UTZZMPJQCVHGNA-WDEREUQCSA-N 1 2 265.357 0.100 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126619 813229425 /nfs/dbraw/zinc/22/94/25/813229425.db2.gz UTZZMPJQCVHGNA-WDEREUQCSA-N 1 2 265.357 0.100 20 30 CCEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001059079377 813240716 /nfs/dbraw/zinc/24/07/16/813240716.db2.gz HXLMEYGOBISPDR-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001269229924 813279348 /nfs/dbraw/zinc/27/93/48/813279348.db2.gz SHJRBQKHRVHOIC-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001269229924 813279353 /nfs/dbraw/zinc/27/93/53/813279353.db2.gz SHJRBQKHRVHOIC-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001269326199 813326076 /nfs/dbraw/zinc/32/60/76/813326076.db2.gz HFLFDBONRGXJSN-TZMCWYRMSA-N 1 2 274.368 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001269326199 813326085 /nfs/dbraw/zinc/32/60/85/813326085.db2.gz HFLFDBONRGXJSN-TZMCWYRMSA-N 1 2 274.368 0.422 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001269337680 813332094 /nfs/dbraw/zinc/33/20/94/813332094.db2.gz MUNGLTOWIPXBRJ-WFASDCNBSA-N 1 2 299.374 0.275 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001269337680 813332100 /nfs/dbraw/zinc/33/21/00/813332100.db2.gz MUNGLTOWIPXBRJ-WFASDCNBSA-N 1 2 299.374 0.275 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001269401442 813357390 /nfs/dbraw/zinc/35/73/90/813357390.db2.gz CVIJFGXMLFUOJK-CYBMUJFWSA-N 1 2 294.355 0.444 20 30 CCEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691946 813895631 /nfs/dbraw/zinc/89/56/31/813895631.db2.gz NKHRFYRFBAKCLT-RYUDHWBXSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691946 813895638 /nfs/dbraw/zinc/89/56/38/813895638.db2.gz NKHRFYRFBAKCLT-RYUDHWBXSA-N 1 2 293.371 0.590 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646737 814181548 /nfs/dbraw/zinc/18/15/48/814181548.db2.gz QKPBLNZROAUFBH-RWMBFGLXSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646737 814181552 /nfs/dbraw/zinc/18/15/52/814181552.db2.gz QKPBLNZROAUFBH-RWMBFGLXSA-N 1 2 298.408 0.023 20 30 CCEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1CC#N ZINC001087741984 814202035 /nfs/dbraw/zinc/20/20/35/814202035.db2.gz MAOKUROTOPCVNI-NWDGAFQWSA-N 1 2 261.329 0.445 20 30 CCEDLO CC[C@H](C[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1)OC ZINC001280406351 814476944 /nfs/dbraw/zinc/47/69/44/814476944.db2.gz NMYHSMARDXYACW-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@H](C[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1)OC ZINC001280406351 814476948 /nfs/dbraw/zinc/47/69/48/814476948.db2.gz NMYHSMARDXYACW-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C[N@@H+]1CCC12CN(C(=O)[C@@H](C#N)Cc1ccc(O)cc1)C2 ZINC001271976833 814659498 /nfs/dbraw/zinc/65/94/98/814659498.db2.gz ZYEAKDYBLOORMS-CYBMUJFWSA-N 1 2 285.347 0.991 20 30 CCEDLO C[N@H+]1CCC12CN(C(=O)[C@@H](C#N)Cc1ccc(O)cc1)C2 ZINC001271976833 814659500 /nfs/dbraw/zinc/65/95/00/814659500.db2.gz ZYEAKDYBLOORMS-CYBMUJFWSA-N 1 2 285.347 0.991 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001030313702 815972834 /nfs/dbraw/zinc/97/28/34/815972834.db2.gz DIHUQVYDGHJFMD-UHFFFAOYSA-N 1 2 293.367 0.148 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001030420256 816028149 /nfs/dbraw/zinc/02/81/49/816028149.db2.gz KVENYZBCASDVNM-UHFFFAOYSA-N 1 2 297.362 0.853 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060454721 816041189 /nfs/dbraw/zinc/04/11/89/816041189.db2.gz HZTRJLGMNTYFGP-UHFFFAOYSA-N 1 2 251.286 0.273 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001030494136 816066321 /nfs/dbraw/zinc/06/63/21/816066321.db2.gz NVNGKRYPKPUPAC-UHFFFAOYSA-N 1 2 272.352 0.657 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212185604 816071671 /nfs/dbraw/zinc/07/16/71/816071671.db2.gz ZBOBQWJPXXSAEI-RBSFLKMASA-N 1 2 296.411 0.888 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212185604 816071676 /nfs/dbraw/zinc/07/16/76/816071676.db2.gz ZBOBQWJPXXSAEI-RBSFLKMASA-N 1 2 296.411 0.888 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001030522723 816084666 /nfs/dbraw/zinc/08/46/66/816084666.db2.gz CRAWGJZZTOVTTA-GFCCVEGCSA-N 1 2 286.379 0.903 20 30 CCEDLO N#CCN1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001030672937 816203080 /nfs/dbraw/zinc/20/30/80/816203080.db2.gz WDAODHIVFJYPMZ-UHFFFAOYSA-N 1 2 255.281 0.272 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212194498 816216243 /nfs/dbraw/zinc/21/62/43/816216243.db2.gz TYCRBNAHLHAUHE-WZRBSPASSA-N 1 2 274.336 0.098 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212194498 816216251 /nfs/dbraw/zinc/21/62/51/816216251.db2.gz TYCRBNAHLHAUHE-WZRBSPASSA-N 1 2 274.336 0.098 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001030847529 816341722 /nfs/dbraw/zinc/34/17/22/816341722.db2.gz VZQIFIJYKQBCNH-LBPRGKRZSA-N 1 2 288.395 0.902 20 30 CCEDLO N#CCN1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030933933 816461033 /nfs/dbraw/zinc/46/10/33/816461033.db2.gz XMNWHRJXQSPWJI-SNVBAGLBSA-N 1 2 259.313 0.154 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001030979800 816528582 /nfs/dbraw/zinc/52/85/82/816528582.db2.gz UKPFNLVASXHEPK-CHWSQXEVSA-N 1 2 272.352 0.347 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001031070069 816623978 /nfs/dbraw/zinc/62/39/78/816623978.db2.gz NBKNJAJOEMGCRO-SNVBAGLBSA-N 1 2 281.335 0.626 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ncccn3n2)C1 ZINC001031129591 816677648 /nfs/dbraw/zinc/67/76/48/816677648.db2.gz SQDZBCVHSBBGKT-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001083730978 816789951 /nfs/dbraw/zinc/78/99/51/816789951.db2.gz AFUCSLXYIDKUHQ-CABCVRRESA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001083730978 816789955 /nfs/dbraw/zinc/78/99/55/816789955.db2.gz AFUCSLXYIDKUHQ-CABCVRRESA-N 1 2 290.407 0.997 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031232064 816862051 /nfs/dbraw/zinc/86/20/51/816862051.db2.gz WULIOFRMKDQKNI-LLVKDONJSA-N 1 2 291.351 0.441 20 30 CCEDLO N#CCNCC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500324 816895900 /nfs/dbraw/zinc/89/59/00/816895900.db2.gz WNSPIDKOIHJTCO-UHFFFAOYSA-N 1 2 261.329 0.283 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn(C)c2=O)C1 ZINC001031275286 816920571 /nfs/dbraw/zinc/92/05/71/816920571.db2.gz JRKZXLVUOGIDHP-UHFFFAOYSA-N 1 2 261.325 0.375 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001031323160 816978279 /nfs/dbraw/zinc/97/82/79/816978279.db2.gz VOWOSFYZTLARFV-GFCCVEGCSA-N 1 2 286.379 0.903 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001031442507 817058198 /nfs/dbraw/zinc/05/81/98/817058198.db2.gz KEGQRLZRLIUXPX-UHFFFAOYSA-N 1 2 279.365 0.837 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001031460653 817065017 /nfs/dbraw/zinc/06/50/17/817065017.db2.gz DTPOQSWQCLLZQD-UHFFFAOYSA-N 1 2 287.363 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001031507365 817088635 /nfs/dbraw/zinc/08/86/35/817088635.db2.gz SKCIMMKYHCRPNQ-LLVKDONJSA-N 1 2 260.341 0.347 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031613868 817186561 /nfs/dbraw/zinc/18/65/61/817186561.db2.gz SGRBRPCESNIPAO-LLVKDONJSA-N 1 2 285.775 0.313 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212344644 817407423 /nfs/dbraw/zinc/40/74/23/817407423.db2.gz GKYUDPHVWZQYBM-FRRDWIJNSA-N 1 2 297.399 0.422 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212344644 817407426 /nfs/dbraw/zinc/40/74/26/817407426.db2.gz GKYUDPHVWZQYBM-FRRDWIJNSA-N 1 2 297.399 0.422 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862768 817425871 /nfs/dbraw/zinc/42/58/71/817425871.db2.gz NSUGAKDDCNKDDB-UHFFFAOYSA-N 1 2 296.758 0.194 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)cc1 ZINC001031891907 817445702 /nfs/dbraw/zinc/44/57/02/817445702.db2.gz DOVHAMIIQJTVFT-UHFFFAOYSA-N 1 2 299.374 0.418 20 30 CCEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124896272 817621888 /nfs/dbraw/zinc/62/18/88/817621888.db2.gz NVEBJTQCJHOXQY-SCZZXKLOSA-N 1 2 250.302 0.910 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnsn1 ZINC001032289257 817785157 /nfs/dbraw/zinc/78/51/57/817785157.db2.gz TUAZTSUGRRAFOX-IUCAKERBSA-N 1 2 250.327 0.623 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnsn1 ZINC001032289257 817785163 /nfs/dbraw/zinc/78/51/63/817785163.db2.gz TUAZTSUGRRAFOX-IUCAKERBSA-N 1 2 250.327 0.623 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C=C/C3CC3)nn2)C1 ZINC001107154188 817795787 /nfs/dbraw/zinc/79/57/87/817795787.db2.gz XZNIYYPKUXUPGS-AATRIKPKSA-N 1 2 287.367 0.903 20 30 CCEDLO N#Cc1nccnc1NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001107240599 817816727 /nfs/dbraw/zinc/81/67/27/817816727.db2.gz PHEDPXACWLGMLZ-OWOJBTEDSA-N 1 2 297.322 0.329 20 30 CCEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001107239901 817816907 /nfs/dbraw/zinc/81/69/07/817816907.db2.gz AOIVZPYSDLGXGB-UPHRSURJSA-N 1 2 297.322 0.329 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](O)C1 ZINC001083784070 817845099 /nfs/dbraw/zinc/84/50/99/817845099.db2.gz ZOKKEAKTJMCFQH-BDAKNGLRSA-N 1 2 299.277 0.410 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](O)C1 ZINC001083784070 817845106 /nfs/dbraw/zinc/84/51/06/817845106.db2.gz ZOKKEAKTJMCFQH-BDAKNGLRSA-N 1 2 299.277 0.410 20 30 CCEDLO N#Cc1cnccc1NC/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539044 817875610 /nfs/dbraw/zinc/87/56/10/817875610.db2.gz DANDVFKCBYSYNX-UPHRSURJSA-N 1 2 296.334 0.425 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001077660345 817952836 /nfs/dbraw/zinc/95/28/36/817952836.db2.gz ZGYKGRAMBCIPTQ-QJPTWQEYSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001077660345 817952843 /nfs/dbraw/zinc/95/28/43/817952843.db2.gz ZGYKGRAMBCIPTQ-QJPTWQEYSA-N 1 2 286.322 0.606 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719743 817965102 /nfs/dbraw/zinc/96/51/02/817965102.db2.gz HGFDTMUUSSHNGO-HIFRSBDPSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719743 817965105 /nfs/dbraw/zinc/96/51/05/817965105.db2.gz HGFDTMUUSSHNGO-HIFRSBDPSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncoc2C)C1 ZINC001107787462 818007672 /nfs/dbraw/zinc/00/76/72/818007672.db2.gz DMXMTAZDSBZTQX-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncoc2C)C1 ZINC001107787462 818007675 /nfs/dbraw/zinc/00/76/75/818007675.db2.gz DMXMTAZDSBZTQX-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364979 818012429 /nfs/dbraw/zinc/01/24/29/818012429.db2.gz ZSOVWUXZVHBOIQ-KBPBESRZSA-N 1 2 268.320 0.808 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364979 818012436 /nfs/dbraw/zinc/01/24/36/818012436.db2.gz ZSOVWUXZVHBOIQ-KBPBESRZSA-N 1 2 268.320 0.808 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 ZINC001078775815 818049144 /nfs/dbraw/zinc/04/91/44/818049144.db2.gz AEFHTEOVNLYCQV-CHWSQXEVSA-N 1 2 287.367 0.503 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050808102 818173644 /nfs/dbraw/zinc/17/36/44/818173644.db2.gz ZGJUGPCNVFVREJ-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050808102 818173648 /nfs/dbraw/zinc/17/36/48/818173648.db2.gz ZGJUGPCNVFVREJ-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C#CCOCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128363129 818202306 /nfs/dbraw/zinc/20/23/06/818202306.db2.gz QZOAVTJGRXJJHH-UHFFFAOYSA-N 1 2 290.367 0.375 20 30 CCEDLO C#CCOCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128363129 818202312 /nfs/dbraw/zinc/20/23/12/818202312.db2.gz QZOAVTJGRXJJHH-UHFFFAOYSA-N 1 2 290.367 0.375 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090036516 818316264 /nfs/dbraw/zinc/31/62/64/818316264.db2.gz FYVRFLYLBOTIFU-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090036516 818316269 /nfs/dbraw/zinc/31/62/69/818316269.db2.gz FYVRFLYLBOTIFU-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061547 818430307 /nfs/dbraw/zinc/43/03/07/818430307.db2.gz SDZIEXRQNYOELU-NEPJUHHUSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061547 818430314 /nfs/dbraw/zinc/43/03/14/818430314.db2.gz SDZIEXRQNYOELU-NEPJUHHUSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CCN(C)C)C2 ZINC001273108379 818623685 /nfs/dbraw/zinc/62/36/85/818623685.db2.gz NKCJLQUEPUOPQC-MRXNPFEDSA-N 1 2 295.427 0.675 20 30 CCEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](CCN(C)C)C2 ZINC001273108379 818623689 /nfs/dbraw/zinc/62/36/89/818623689.db2.gz NKCJLQUEPUOPQC-MRXNPFEDSA-N 1 2 295.427 0.675 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001033422376 818769947 /nfs/dbraw/zinc/76/99/47/818769947.db2.gz RHAXXJFWIKEYJK-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001033422376 818769954 /nfs/dbraw/zinc/76/99/54/818769954.db2.gz RHAXXJFWIKEYJK-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033640608 818865063 /nfs/dbraw/zinc/86/50/63/818865063.db2.gz REZMHDPJCHZDEW-LLVKDONJSA-N 1 2 283.763 0.563 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033640608 818865070 /nfs/dbraw/zinc/86/50/70/818865070.db2.gz REZMHDPJCHZDEW-LLVKDONJSA-N 1 2 283.763 0.563 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001033690677 818890273 /nfs/dbraw/zinc/89/02/73/818890273.db2.gz FXAALSRTVKQPRS-LLVKDONJSA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001033690677 818890281 /nfs/dbraw/zinc/89/02/81/818890281.db2.gz FXAALSRTVKQPRS-LLVKDONJSA-N 1 2 291.376 0.627 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CS(=O)(=O)C2)C1 ZINC001033845564 818966343 /nfs/dbraw/zinc/96/63/43/818966343.db2.gz GSSIJOGMKRNQPT-GFCCVEGCSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CS(=O)(=O)C2)C1 ZINC001033845564 818966348 /nfs/dbraw/zinc/96/63/48/818966348.db2.gz GSSIJOGMKRNQPT-GFCCVEGCSA-N 1 2 286.397 0.140 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033921528 818996921 /nfs/dbraw/zinc/99/69/21/818996921.db2.gz BNAVDEPUSJGPQU-OAHLLOKOSA-N 1 2 299.374 0.690 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033921528 818996926 /nfs/dbraw/zinc/99/69/26/818996926.db2.gz BNAVDEPUSJGPQU-OAHLLOKOSA-N 1 2 299.374 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035306035 819457700 /nfs/dbraw/zinc/45/77/00/819457700.db2.gz OJOYKNAZXPZSQM-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035306035 819457704 /nfs/dbraw/zinc/45/77/04/819457704.db2.gz OJOYKNAZXPZSQM-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035325020 819471803 /nfs/dbraw/zinc/47/18/03/819471803.db2.gz WKAZPLNYIUHIED-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035325020 819471807 /nfs/dbraw/zinc/47/18/07/819471807.db2.gz WKAZPLNYIUHIED-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035330082 819475402 /nfs/dbraw/zinc/47/54/02/819475402.db2.gz LMMMZJZQIVVIJR-LBPRGKRZSA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035330082 819475405 /nfs/dbraw/zinc/47/54/05/819475405.db2.gz LMMMZJZQIVVIJR-LBPRGKRZSA-N 1 2 277.324 0.404 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035429234 819513545 /nfs/dbraw/zinc/51/35/45/819513545.db2.gz FNZHDXHKYUHUTF-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001035429234 819513561 /nfs/dbraw/zinc/51/35/61/819513561.db2.gz FNZHDXHKYUHUTF-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001035429234 819513566 /nfs/dbraw/zinc/51/35/66/819513566.db2.gz FNZHDXHKYUHUTF-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035446552 819527229 /nfs/dbraw/zinc/52/72/29/819527229.db2.gz LYHQLEZAHGOCJZ-JEWKUQAESA-N 1 2 292.379 0.413 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035446552 819527231 /nfs/dbraw/zinc/52/72/31/819527231.db2.gz LYHQLEZAHGOCJZ-JEWKUQAESA-N 1 2 292.379 0.413 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2C)C1 ZINC001035490161 819535577 /nfs/dbraw/zinc/53/55/77/819535577.db2.gz VYTUPHMLFACASL-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2C)C1 ZINC001035490161 819535581 /nfs/dbraw/zinc/53/55/81/819535581.db2.gz VYTUPHMLFACASL-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507822 819544360 /nfs/dbraw/zinc/54/43/60/819544360.db2.gz FBWNZWOEIOPRST-AGIUHOORSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507822 819544365 /nfs/dbraw/zinc/54/43/65/819544365.db2.gz FBWNZWOEIOPRST-AGIUHOORSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001035570735 819561083 /nfs/dbraw/zinc/56/10/83/819561083.db2.gz VZRMHZAFJYCPAX-LBPRGKRZSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001035570735 819561086 /nfs/dbraw/zinc/56/10/86/819561086.db2.gz VZRMHZAFJYCPAX-LBPRGKRZSA-N 1 2 290.367 0.904 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035593029 819581026 /nfs/dbraw/zinc/58/10/26/819581026.db2.gz TUOPTPSHQUGBSO-SNVBAGLBSA-N 1 2 297.742 0.782 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035593029 819581031 /nfs/dbraw/zinc/58/10/31/819581031.db2.gz TUOPTPSHQUGBSO-SNVBAGLBSA-N 1 2 297.742 0.782 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2conc2C)C1 ZINC001108177902 820058346 /nfs/dbraw/zinc/05/83/46/820058346.db2.gz BGTFGLSADDAINN-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2conc2C)C1 ZINC001108177902 820058355 /nfs/dbraw/zinc/05/83/55/820058355.db2.gz BGTFGLSADDAINN-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001081479271 820771170 /nfs/dbraw/zinc/77/11/70/820771170.db2.gz TZVLRUFKDGLGQO-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001081479271 820771177 /nfs/dbraw/zinc/77/11/77/820771177.db2.gz TZVLRUFKDGLGQO-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1O ZINC001099727839 820825144 /nfs/dbraw/zinc/82/51/44/820825144.db2.gz SNKFOCKIZZGULH-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1O ZINC001099727839 820825154 /nfs/dbraw/zinc/82/51/54/820825154.db2.gz SNKFOCKIZZGULH-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@H](OC)C1 ZINC001081955075 820868851 /nfs/dbraw/zinc/86/88/51/820868851.db2.gz VQBHXQBPUPLOLZ-IUODEOHRSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@H](OC)C1 ZINC001081955075 820868861 /nfs/dbraw/zinc/86/88/61/820868861.db2.gz VQBHXQBPUPLOLZ-IUODEOHRSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@H](OC)C1 ZINC001082248424 820920578 /nfs/dbraw/zinc/92/05/78/820920578.db2.gz LAIZCMMPZLHDCS-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@H](OC)C1 ZINC001082248424 820920584 /nfs/dbraw/zinc/92/05/84/820920584.db2.gz LAIZCMMPZLHDCS-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C=CCC3)[C@H]2C1 ZINC001082993956 821096323 /nfs/dbraw/zinc/09/63/23/821096323.db2.gz SLUJEKPCXBVHRJ-SOUVJXGZSA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C=CCC3)[C@H]2C1 ZINC001082993956 821096330 /nfs/dbraw/zinc/09/63/30/821096330.db2.gz SLUJEKPCXBVHRJ-SOUVJXGZSA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccc3O)[C@H]2C1 ZINC001083005402 821103125 /nfs/dbraw/zinc/10/31/25/821103125.db2.gz YEUFDUDOFJTGLN-DZGCQCFKSA-N 1 2 286.331 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccc3O)[C@H]2C1 ZINC001083005402 821103130 /nfs/dbraw/zinc/10/31/30/821103130.db2.gz YEUFDUDOFJTGLN-DZGCQCFKSA-N 1 2 286.331 0.551 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083008153 821104914 /nfs/dbraw/zinc/10/49/14/821104914.db2.gz XLLGIOXHSVIXDD-GRYCIOLGSA-N 1 2 270.398 0.836 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083008153 821104916 /nfs/dbraw/zinc/10/49/16/821104916.db2.gz XLLGIOXHSVIXDD-GRYCIOLGSA-N 1 2 270.398 0.836 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3=CCCC3)[C@H]2C1 ZINC001083048979 821126655 /nfs/dbraw/zinc/12/66/55/821126655.db2.gz UZLCIOGKFCEAOO-UONOGXRCSA-N 1 2 260.337 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3=CCCC3)[C@H]2C1 ZINC001083048979 821126658 /nfs/dbraw/zinc/12/66/58/821126658.db2.gz UZLCIOGKFCEAOO-UONOGXRCSA-N 1 2 260.337 0.642 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](O)C1 ZINC001084010848 821183672 /nfs/dbraw/zinc/18/36/72/821183672.db2.gz NHYIWAWUPUNTEG-CVEARBPZSA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](O)C1 ZINC001084010848 821183678 /nfs/dbraw/zinc/18/36/78/821183678.db2.gz NHYIWAWUPUNTEG-CVEARBPZSA-N 1 2 299.374 0.757 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234569 821249703 /nfs/dbraw/zinc/24/97/03/821249703.db2.gz XHUYOGCMTVJQLL-IJLUTSLNSA-N 1 2 297.786 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234569 821249712 /nfs/dbraw/zinc/24/97/12/821249712.db2.gz XHUYOGCMTVJQLL-IJLUTSLNSA-N 1 2 297.786 0.550 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084578370 821316072 /nfs/dbraw/zinc/31/60/72/821316072.db2.gz VXIJNJAPHJQLDF-GHMZBOCLSA-N 1 2 265.357 0.217 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084578370 821316080 /nfs/dbraw/zinc/31/60/80/821316080.db2.gz VXIJNJAPHJQLDF-GHMZBOCLSA-N 1 2 265.357 0.217 20 30 CCEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC001085322283 821660616 /nfs/dbraw/zinc/66/06/16/821660616.db2.gz HKDPAWLIYPLYQE-GHMZBOCLSA-N 1 2 264.304 0.813 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001098307059 821668390 /nfs/dbraw/zinc/66/83/90/821668390.db2.gz SLYGGOSMHKCANK-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001085394253 821677927 /nfs/dbraw/zinc/67/79/27/821677927.db2.gz BSKGMMLNXPXKPQ-CHWSQXEVSA-N 1 2 275.356 0.503 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C ZINC001085492155 821737733 /nfs/dbraw/zinc/73/77/33/821737733.db2.gz PLUKVGOSZWKSGT-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C ZINC001085492155 821737738 /nfs/dbraw/zinc/73/77/38/821737738.db2.gz PLUKVGOSZWKSGT-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001085502736 821752507 /nfs/dbraw/zinc/75/25/07/821752507.db2.gz FRZTVLIRHIPQRU-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001085502736 821752511 /nfs/dbraw/zinc/75/25/11/821752511.db2.gz FRZTVLIRHIPQRU-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC001085502736 821752514 /nfs/dbraw/zinc/75/25/14/821752514.db2.gz FRZTVLIRHIPQRU-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC001085502736 821752518 /nfs/dbraw/zinc/75/25/18/821752518.db2.gz FRZTVLIRHIPQRU-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001085613027 821850923 /nfs/dbraw/zinc/85/09/23/821850923.db2.gz HCQVIEFYFMLICG-CQSZACIVSA-N 1 2 297.358 0.961 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001085613027 821850934 /nfs/dbraw/zinc/85/09/34/821850934.db2.gz HCQVIEFYFMLICG-CQSZACIVSA-N 1 2 297.358 0.961 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630292 821861449 /nfs/dbraw/zinc/86/14/49/821861449.db2.gz QBJNPWILSWJGMA-SNVBAGLBSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630292 821861459 /nfs/dbraw/zinc/86/14/59/821861459.db2.gz QBJNPWILSWJGMA-SNVBAGLBSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001085685578 821900893 /nfs/dbraw/zinc/90/08/93/821900893.db2.gz VNJILXDTSKNIIN-NSHDSACASA-N 1 2 299.334 0.443 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001085685578 821900904 /nfs/dbraw/zinc/90/09/04/821900904.db2.gz VNJILXDTSKNIIN-NSHDSACASA-N 1 2 299.334 0.443 20 30 CCEDLO C#CCN1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684934 821901350 /nfs/dbraw/zinc/90/13/50/821901350.db2.gz FMNBUXUABZZLLT-LBPRGKRZSA-N 1 2 290.367 0.516 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2c1CC(=O)N2 ZINC001085696926 821905376 /nfs/dbraw/zinc/90/53/76/821905376.db2.gz XEPVBAQFLZSRQK-NSHDSACASA-N 1 2 298.346 0.356 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2c1CC(=O)N2 ZINC001085696926 821905381 /nfs/dbraw/zinc/90/53/81/821905381.db2.gz XEPVBAQFLZSRQK-NSHDSACASA-N 1 2 298.346 0.356 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085698442 821908785 /nfs/dbraw/zinc/90/87/85/821908785.db2.gz NDMRZJHRYRBRMI-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085698442 821908792 /nfs/dbraw/zinc/90/87/92/821908792.db2.gz NDMRZJHRYRBRMI-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085757171 821936798 /nfs/dbraw/zinc/93/67/98/821936798.db2.gz AHHZCMDAFSMQQX-NSHDSACASA-N 1 2 263.345 0.836 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085757171 821936803 /nfs/dbraw/zinc/93/68/03/821936803.db2.gz AHHZCMDAFSMQQX-NSHDSACASA-N 1 2 263.345 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001085848948 821977795 /nfs/dbraw/zinc/97/77/95/821977795.db2.gz KNFSYLFTMQTUBK-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001085848948 821977801 /nfs/dbraw/zinc/97/78/01/821977801.db2.gz KNFSYLFTMQTUBK-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858166 821983802 /nfs/dbraw/zinc/98/38/02/821983802.db2.gz RHLSMKWDQSNITM-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858166 821983804 /nfs/dbraw/zinc/98/38/04/821983804.db2.gz RHLSMKWDQSNITM-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086124236 822121613 /nfs/dbraw/zinc/12/16/13/822121613.db2.gz LJJNEWFJUGICKY-RWMBFGLXSA-N 1 2 287.367 0.453 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001098185444 822220484 /nfs/dbraw/zinc/22/04/84/822220484.db2.gz UDDZKXTYFUMVKD-UTUOFQBUSA-N 1 2 273.340 0.092 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001098185444 822220489 /nfs/dbraw/zinc/22/04/89/822220489.db2.gz UDDZKXTYFUMVKD-UTUOFQBUSA-N 1 2 273.340 0.092 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001108292419 822326962 /nfs/dbraw/zinc/32/69/62/822326962.db2.gz ROYLTFOKKCJSPM-BDAKNGLRSA-N 1 2 287.327 0.440 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oncc2C)C1 ZINC001108318835 822350144 /nfs/dbraw/zinc/35/01/44/822350144.db2.gz MZWXIVXZLVLCJK-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oncc2C)C1 ZINC001108318835 822350154 /nfs/dbraw/zinc/35/01/54/822350154.db2.gz MZWXIVXZLVLCJK-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114004632 837400997 /nfs/dbraw/zinc/40/09/97/837400997.db2.gz JVIILLODKLIHOU-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114004632 837401004 /nfs/dbraw/zinc/40/10/04/837401004.db2.gz JVIILLODKLIHOU-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108429517 836075388 /nfs/dbraw/zinc/07/53/88/836075388.db2.gz KKNIHLCKUAICPC-INIZCTEOSA-N 1 2 294.395 0.810 20 30 CCEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108429517 836075390 /nfs/dbraw/zinc/07/53/90/836075390.db2.gz KKNIHLCKUAICPC-INIZCTEOSA-N 1 2 294.395 0.810 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1c[nH+]cn1C ZINC001108456186 836202150 /nfs/dbraw/zinc/20/21/50/836202150.db2.gz RXPNUEQJNYRCID-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC(C)C)CC2=O)C1 ZINC001108500226 836325042 /nfs/dbraw/zinc/32/50/42/836325042.db2.gz NIBPYBHMOMFMGX-GFCCVEGCSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC3(C)CC3)CC2=O)C1 ZINC001108555346 836443671 /nfs/dbraw/zinc/44/36/71/836443671.db2.gz LYOZHDFDYRSHCJ-GFCCVEGCSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C(=O)OCC)CC1 ZINC001184186382 844168768 /nfs/dbraw/zinc/16/87/68/844168768.db2.gz IAZLYCIVTMXDTL-LLVKDONJSA-N 1 2 254.330 0.516 20 30 CCEDLO C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014549 836598300 /nfs/dbraw/zinc/59/83/00/836598300.db2.gz KLWNVLZPOKXYPF-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109046068 836603050 /nfs/dbraw/zinc/60/30/50/836603050.db2.gz IBAMYVWHSRJMID-AGIUHOORSA-N 1 2 290.367 0.314 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109046068 836603053 /nfs/dbraw/zinc/60/30/53/836603053.db2.gz IBAMYVWHSRJMID-AGIUHOORSA-N 1 2 290.367 0.314 20 30 CCEDLO CN(CCCNc1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506255 836691140 /nfs/dbraw/zinc/69/11/40/836691140.db2.gz BUPMUEFVBGOFSQ-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109607442 836707498 /nfs/dbraw/zinc/70/74/98/836707498.db2.gz YAODHBNNOBZXDY-PPCPHDFISA-N 1 2 290.367 0.004 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109607442 836707503 /nfs/dbraw/zinc/70/75/03/836707503.db2.gz YAODHBNNOBZXDY-PPCPHDFISA-N 1 2 290.367 0.004 20 30 CCEDLO CCCC#CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001184277224 844203215 /nfs/dbraw/zinc/20/32/15/844203215.db2.gz KVACGXZHBWYEDO-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO CCCC#CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001184277224 844203227 /nfs/dbraw/zinc/20/32/27/844203227.db2.gz KVACGXZHBWYEDO-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnsn2)CC1 ZINC001112645344 836839604 /nfs/dbraw/zinc/83/96/04/836839604.db2.gz RGWRZQNZPWFFQL-UHFFFAOYSA-N 1 2 282.369 0.499 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001112768403 836903463 /nfs/dbraw/zinc/90/34/63/836903463.db2.gz ZSYSMAJMQJWPCN-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112813942 836924527 /nfs/dbraw/zinc/92/45/27/836924527.db2.gz FOPAHZDQUBQFML-MRXNPFEDSA-N 1 2 296.411 0.884 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC001112841489 836939700 /nfs/dbraw/zinc/93/97/00/836939700.db2.gz AGTSTIFFVNTDGT-UHFFFAOYSA-N 1 2 280.372 0.122 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC001112877687 836949253 /nfs/dbraw/zinc/94/92/53/836949253.db2.gz UDGVXNSPAMENRO-GFCCVEGCSA-N 1 2 291.351 0.728 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC001113151711 837037435 /nfs/dbraw/zinc/03/74/35/837037435.db2.gz NKWXVWODGXEUMC-UHFFFAOYSA-N 1 2 277.372 0.848 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001113509113 837139331 /nfs/dbraw/zinc/13/93/31/837139331.db2.gz YBLRAWCVYVLQNY-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)nc1 ZINC001113645113 837186554 /nfs/dbraw/zinc/18/65/54/837186554.db2.gz SLBWSDGMZOXITM-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\[C@H]2COC(C)(C)O2)CC1 ZINC001170249578 837284661 /nfs/dbraw/zinc/28/46/61/837284661.db2.gz WUINZKNVPGESAB-SZZPACECSA-N 1 2 278.352 0.472 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)nc1 ZINC001113898017 837357790 /nfs/dbraw/zinc/35/77/90/837357790.db2.gz JBDFYSUBOQCWPC-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ncccc1C#N ZINC001113898486 837358938 /nfs/dbraw/zinc/35/89/38/837358938.db2.gz VQJUBMKDPXYLAT-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO N#C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C(N)=O ZINC001170533233 837978883 /nfs/dbraw/zinc/97/88/83/837978883.db2.gz YEMLZEYWOAGPOE-SNVBAGLBSA-N 1 2 256.269 0.116 20 30 CCEDLO N#Cc1cc(C[NH2+]Cc2cc(C(N)=O)no2)cs1 ZINC001205311379 844285307 /nfs/dbraw/zinc/28/53/07/844285307.db2.gz CTPKVQAGDNXVQK-UHFFFAOYSA-N 1 2 262.294 0.996 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131751825 838205198 /nfs/dbraw/zinc/20/51/98/838205198.db2.gz NIYFKZGLCPWZBR-QWHCGFSZSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131751825 838205207 /nfs/dbraw/zinc/20/52/07/838205207.db2.gz NIYFKZGLCPWZBR-QWHCGFSZSA-N 1 2 294.399 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@H]1C ZINC001131971595 838276734 /nfs/dbraw/zinc/27/67/34/838276734.db2.gz KHFUMDZVIFFQQH-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@H]1C ZINC001131971595 838276742 /nfs/dbraw/zinc/27/67/42/838276742.db2.gz KHFUMDZVIFFQQH-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CN1CC#N ZINC001132087058 838318396 /nfs/dbraw/zinc/31/83/96/838318396.db2.gz LXNRBZHCTYEDMM-AAEUAGOBSA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CN1CC#N ZINC001132087058 838318405 /nfs/dbraw/zinc/31/84/05/838318405.db2.gz LXNRBZHCTYEDMM-AAEUAGOBSA-N 1 2 275.356 0.835 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132101314 838318880 /nfs/dbraw/zinc/31/88/80/838318880.db2.gz JOTVJEURCWFHOM-STQMWFEESA-N 1 2 291.395 0.634 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132101314 838318888 /nfs/dbraw/zinc/31/88/88/838318888.db2.gz JOTVJEURCWFHOM-STQMWFEESA-N 1 2 291.395 0.634 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CN1CC#N ZINC001132196044 838337301 /nfs/dbraw/zinc/33/73/01/838337301.db2.gz XYOZHMNZTDYQSV-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132402896 838387542 /nfs/dbraw/zinc/38/75/42/838387542.db2.gz ZVZROTLEDQMKFH-UHFFFAOYSA-N 1 2 281.360 0.554 20 30 CCEDLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001132782127 838493485 /nfs/dbraw/zinc/49/34/85/838493485.db2.gz JTYYGPDOSUNLQT-QWHCGFSZSA-N 1 2 289.383 0.940 20 30 CCEDLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001132782126 838493984 /nfs/dbraw/zinc/49/39/84/838493984.db2.gz JTYYGPDOSUNLQT-OLZOCXBDSA-N 1 2 289.383 0.940 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 ZINC001133275106 838588583 /nfs/dbraw/zinc/58/85/83/838588583.db2.gz PGQLTSMKOJAWSF-WCQYABFASA-N 1 2 289.383 0.858 20 30 CCEDLO C#CC[NH2+]CCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001170802666 839177616 /nfs/dbraw/zinc/17/76/16/839177616.db2.gz SXMRPAKXIGTDLF-UHFFFAOYSA-N 1 2 286.339 0.153 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC001171250224 840191207 /nfs/dbraw/zinc/19/12/07/840191207.db2.gz UPVPYIOQPHLYOK-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC001171250224 840191212 /nfs/dbraw/zinc/19/12/12/840191212.db2.gz UPVPYIOQPHLYOK-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO N#CCNCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458443 840304547 /nfs/dbraw/zinc/30/45/47/840304547.db2.gz GRBTZOGJBLTQSX-UHFFFAOYSA-N 1 2 269.308 0.715 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(CC)o2)nc1 ZINC001148370392 840795084 /nfs/dbraw/zinc/79/50/84/840795084.db2.gz VRABVWOZLIZLAF-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001092051773 840985875 /nfs/dbraw/zinc/98/58/75/840985875.db2.gz OKCIPJQCZUVQOO-RISCZKNCSA-N 1 2 273.340 0.256 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093572661 841344373 /nfs/dbraw/zinc/34/43/73/841344373.db2.gz WIKQNSAHYMLRQH-CYBMUJFWSA-N 1 2 264.329 0.640 20 30 CCEDLO Cc1cc(NCCNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001093829436 841469698 /nfs/dbraw/zinc/46/96/98/841469698.db2.gz KELMVMYQZXWLAH-UHFFFAOYSA-N 1 2 284.323 0.178 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001094224766 841570453 /nfs/dbraw/zinc/57/04/53/841570453.db2.gz ANSSVPDFHVOHQI-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001094224766 841570462 /nfs/dbraw/zinc/57/04/62/841570462.db2.gz ANSSVPDFHVOHQI-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1ncccc1C#N ZINC001094301396 841604381 /nfs/dbraw/zinc/60/43/81/841604381.db2.gz AAYHMQXULLPXSK-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001094549155 841672424 /nfs/dbraw/zinc/67/24/24/841672424.db2.gz DCQQIJKPOUJQMD-UHFFFAOYSA-N 1 2 284.323 0.259 20 30 CCEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1noc(C(N)=O)n1 ZINC001172302196 841915518 /nfs/dbraw/zinc/91/55/18/841915518.db2.gz GCDFJJUCHGKURQ-VIFPVBQESA-N 1 2 285.307 0.761 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670011 841953478 /nfs/dbraw/zinc/95/34/78/841953478.db2.gz NWJZADYWIKIEOU-CVEARBPZSA-N 1 2 298.390 0.975 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150141237 842013758 /nfs/dbraw/zinc/01/37/58/842013758.db2.gz YRBKKIQDXFWDNI-QWHCGFSZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150141237 842013770 /nfs/dbraw/zinc/01/37/70/842013770.db2.gz YRBKKIQDXFWDNI-QWHCGFSZSA-N 1 2 297.399 0.281 20 30 CCEDLO COC(=O)CCCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001173451723 842089311 /nfs/dbraw/zinc/08/93/11/842089311.db2.gz RDSSCEHJCRLXJW-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001150210207 842092748 /nfs/dbraw/zinc/09/27/48/842092748.db2.gz BTMSPIZPAGLDKR-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001150210207 842092766 /nfs/dbraw/zinc/09/27/66/842092766.db2.gz BTMSPIZPAGLDKR-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586525 842114539 /nfs/dbraw/zinc/11/45/39/842114539.db2.gz NGOSHIVTILAJIS-OXIQGZBJSA-N 1 2 294.351 0.963 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586525 842114547 /nfs/dbraw/zinc/11/45/47/842114547.db2.gz NGOSHIVTILAJIS-OXIQGZBJSA-N 1 2 294.351 0.963 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110183538 842235763 /nfs/dbraw/zinc/23/57/63/842235763.db2.gz XSIHYNSKWWFIQH-RNJOBUHISA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110183538 842235771 /nfs/dbraw/zinc/23/57/71/842235771.db2.gz XSIHYNSKWWFIQH-RNJOBUHISA-N 1 2 295.383 0.045 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC001175670090 842270981 /nfs/dbraw/zinc/27/09/81/842270981.db2.gz XPTSUKQBTQYFDL-UHFFFAOYSA-N 1 2 273.336 0.292 20 30 CCEDLO C=CC[C@@](C)(NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC001176883184 842439369 /nfs/dbraw/zinc/43/93/69/842439369.db2.gz FYUVTAPZAIKAFH-CYBMUJFWSA-N 1 2 265.313 0.897 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938537 842455954 /nfs/dbraw/zinc/45/59/54/842455954.db2.gz VPKXNOKGBBONIB-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938537 842455963 /nfs/dbraw/zinc/45/59/63/842455963.db2.gz VPKXNOKGBBONIB-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177020039 842485872 /nfs/dbraw/zinc/48/58/72/842485872.db2.gz VIVKLCXOAAJCLO-GJZGRUSLSA-N 1 2 294.395 0.330 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177020039 842485878 /nfs/dbraw/zinc/48/58/78/842485878.db2.gz VIVKLCXOAAJCLO-GJZGRUSLSA-N 1 2 294.395 0.330 20 30 CCEDLO CN(CC(=O)N1CCO[C@@H](C#N)C1)c1cccc[nH+]1 ZINC001177412573 842585375 /nfs/dbraw/zinc/58/53/75/842585375.db2.gz RUHYACXCJOTFKG-NSHDSACASA-N 1 2 260.297 0.269 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177997622 842721436 /nfs/dbraw/zinc/72/14/36/842721436.db2.gz APXIOMCWSNBWRW-UHFFFAOYSA-N 1 2 251.286 0.578 20 30 CCEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178115591 842760555 /nfs/dbraw/zinc/76/05/55/842760555.db2.gz CLSGOLBRPRIKDQ-DCAQKATOSA-N 1 2 262.288 0.908 20 30 CCEDLO C=C[C@H]1C[C@@]1(NC(=O)Cc1cc[nH+]c(N)c1)C(=O)OCC ZINC001181279479 843442180 /nfs/dbraw/zinc/44/21/80/843442180.db2.gz JTTZBXHRODTWRC-NHYWBVRUSA-N 1 2 289.335 0.830 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110394593 844732709 /nfs/dbraw/zinc/73/27/09/844732709.db2.gz GLEAUEURSAMQQF-LPWJVIDDSA-N 1 2 290.367 0.100 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110394593 844732713 /nfs/dbraw/zinc/73/27/13/844732713.db2.gz GLEAUEURSAMQQF-LPWJVIDDSA-N 1 2 290.367 0.100 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001191646027 845707038 /nfs/dbraw/zinc/70/70/38/845707038.db2.gz UMMZHXXPGMWCDF-YNEHKIRRSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001191646027 845707047 /nfs/dbraw/zinc/70/70/47/845707047.db2.gz UMMZHXXPGMWCDF-YNEHKIRRSA-N 1 2 297.399 0.029 20 30 CCEDLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191855379 845740677 /nfs/dbraw/zinc/74/06/77/845740677.db2.gz ZPOQQPLHRHEXIO-FBIMIBRVSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191855379 845740682 /nfs/dbraw/zinc/74/06/82/845740682.db2.gz ZPOQQPLHRHEXIO-FBIMIBRVSA-N 1 2 294.380 0.273 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1ccc(C#N)o1 ZINC001192692231 845892916 /nfs/dbraw/zinc/89/29/16/845892916.db2.gz XQGCYQRDULGPEL-UHFFFAOYSA-N 1 2 274.280 0.924 20 30 CCEDLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192822123 845915720 /nfs/dbraw/zinc/91/57/20/845915720.db2.gz UUYBDTMEMCWRAW-ZIAGYGMSSA-N 1 2 289.335 0.058 20 30 CCEDLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192822123 845915725 /nfs/dbraw/zinc/91/57/25/845915725.db2.gz UUYBDTMEMCWRAW-ZIAGYGMSSA-N 1 2 289.335 0.058 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193000210 845951698 /nfs/dbraw/zinc/95/16/98/845951698.db2.gz ABWYZARYVIKDQU-LLVKDONJSA-N 1 2 280.353 0.493 20 30 CCEDLO N#Cc1cncc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001194107560 846215158 /nfs/dbraw/zinc/21/51/58/846215158.db2.gz DOEMAQALTRQAHM-UHFFFAOYSA-N 1 2 267.292 0.848 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2cncc(C#N)c2)c1 ZINC001194111428 846215443 /nfs/dbraw/zinc/21/54/43/846215443.db2.gz CKRJCCVNYVMMKL-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)SC)CO2 ZINC001273674894 846276863 /nfs/dbraw/zinc/27/68/63/846276863.db2.gz AOKVILYRYYHIOZ-RYUDHWBXSA-N 1 2 282.409 0.721 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2CCF)CC1 ZINC001194535782 846318964 /nfs/dbraw/zinc/31/89/64/846318964.db2.gz HSPDTQMZKFJCCC-UHFFFAOYSA-N 1 2 266.320 0.796 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)nn2C)CC1 ZINC001194742285 846367422 /nfs/dbraw/zinc/36/74/22/846367422.db2.gz UFJGUVFTMIPZKU-UHFFFAOYSA-N 1 2 264.329 0.373 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)OC)CO2 ZINC001273688009 846427932 /nfs/dbraw/zinc/42/79/32/846427932.db2.gz VDJXGOLFDRWXDJ-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001195025511 846441885 /nfs/dbraw/zinc/44/18/85/846441885.db2.gz OVJAUMFDDDJZOS-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001195025511 846441889 /nfs/dbraw/zinc/44/18/89/846441889.db2.gz OVJAUMFDDDJZOS-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001195025511 846441894 /nfs/dbraw/zinc/44/18/94/846441894.db2.gz OVJAUMFDDDJZOS-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001195025511 846441898 /nfs/dbraw/zinc/44/18/98/846441898.db2.gz OVJAUMFDDDJZOS-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)OC)CC1 ZINC001195137598 846467620 /nfs/dbraw/zinc/46/76/20/846467620.db2.gz JDIAYBUWQPSTRJ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)OC)CC1 ZINC001195137598 846467624 /nfs/dbraw/zinc/46/76/24/846467624.db2.gz JDIAYBUWQPSTRJ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195434664 846542349 /nfs/dbraw/zinc/54/23/49/846542349.db2.gz QZYQMYSMCWZCCI-PHIGAYBXSA-N 1 2 292.379 0.320 20 30 CCEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195434664 846542351 /nfs/dbraw/zinc/54/23/51/846542351.db2.gz QZYQMYSMCWZCCI-PHIGAYBXSA-N 1 2 292.379 0.320 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195532607 846569978 /nfs/dbraw/zinc/56/99/78/846569978.db2.gz QVWCDCFVMLDQOP-RBSFLKMASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195532607 846569990 /nfs/dbraw/zinc/56/99/90/846569990.db2.gz QVWCDCFVMLDQOP-RBSFLKMASA-N 1 2 294.395 0.400 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001195775277 846623120 /nfs/dbraw/zinc/62/31/20/846623120.db2.gz UDWAYMFGVROVBK-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001195775277 846623124 /nfs/dbraw/zinc/62/31/24/846623124.db2.gz UDWAYMFGVROVBK-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195907397 846647303 /nfs/dbraw/zinc/64/73/03/846647303.db2.gz NQIXGZGECHCSMC-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195907397 846647312 /nfs/dbraw/zinc/64/73/12/846647312.db2.gz NQIXGZGECHCSMC-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2C#N)C1 ZINC001196561338 846776503 /nfs/dbraw/zinc/77/65/03/846776503.db2.gz OWGQSYBJFXOBCZ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2C#N)C1 ZINC001196561338 846776512 /nfs/dbraw/zinc/77/65/12/846776512.db2.gz OWGQSYBJFXOBCZ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001197596383 846939730 /nfs/dbraw/zinc/93/97/30/846939730.db2.gz KQPBOEZXWQXQAG-CHWSQXEVSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001197596383 846939734 /nfs/dbraw/zinc/93/97/34/846939734.db2.gz KQPBOEZXWQXQAG-CHWSQXEVSA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCCF)C2)OCC1=O ZINC001273754275 846987680 /nfs/dbraw/zinc/98/76/80/846987680.db2.gz LNWIAVROMRSKDU-UHFFFAOYSA-N 1 2 256.321 0.835 20 30 CCEDLO C#CCOC[C@H](O)CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001251851479 847206575 /nfs/dbraw/zinc/20/65/75/847206575.db2.gz LPBBLRZIMDWXTP-CYBMUJFWSA-N 1 2 288.338 0.412 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+]2CCS(C)(=O)=O)C1=O ZINC001273811677 847546390 /nfs/dbraw/zinc/54/63/90/847546390.db2.gz OKVGKDFAICDYSN-ZDUSSCGKSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2CCS(C)(=O)=O)C1=O ZINC001273811677 847546396 /nfs/dbraw/zinc/54/63/96/847546396.db2.gz OKVGKDFAICDYSN-ZDUSSCGKSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CCNC(=S)NC1CC[NH+](C2COC2)CC1 ZINC001200296841 847601327 /nfs/dbraw/zinc/60/13/27/847601327.db2.gz RHJOCRLXPOKEAL-UHFFFAOYSA-N 1 2 255.387 0.500 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N ZINC001273910055 847819198 /nfs/dbraw/zinc/81/91/98/847819198.db2.gz MBBIEIPRDOHOMA-ZYOFXKKJSA-N 1 2 290.371 0.781 20 30 CCEDLO Cc1nc(N(C)CCOCCNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001115186933 847954343 /nfs/dbraw/zinc/95/43/43/847954343.db2.gz HZONGUQYLDZDII-NSHDSACASA-N 1 2 291.355 0.514 20 30 CCEDLO COC(CNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2)OC ZINC001274030154 848310117 /nfs/dbraw/zinc/31/01/17/848310117.db2.gz DVNUHLLRTSNGAU-LBPRGKRZSA-N 1 2 295.383 0.737 20 30 CCEDLO N#CCCN1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274031867 848311858 /nfs/dbraw/zinc/31/18/58/848311858.db2.gz BBRVJPKDLBVPAT-OAHLLOKOSA-N 1 2 287.367 0.864 20 30 CCEDLO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032553 848313918 /nfs/dbraw/zinc/31/39/18/848313918.db2.gz RSTPRRPNYUKNPB-VXGBXAGGSA-N 1 2 292.383 0.490 20 30 CCEDLO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032553 848313924 /nfs/dbraw/zinc/31/39/24/848313924.db2.gz RSTPRRPNYUKNPB-VXGBXAGGSA-N 1 2 292.383 0.490 20 30 CCEDLO N#CCNC[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805596 848829876 /nfs/dbraw/zinc/82/98/76/848829876.db2.gz LCZYEAPAWYNXLO-NWDGAFQWSA-N 1 2 275.356 0.740 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001276063068 848913657 /nfs/dbraw/zinc/91/36/57/848913657.db2.gz YPLHKXCEULBFRH-ILXRZTDVSA-N 1 2 290.407 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2cncn2C)C1 ZINC001276094794 848927337 /nfs/dbraw/zinc/92/73/37/848927337.db2.gz RLZZQDBPLICXAN-UHFFFAOYSA-N 1 2 292.383 0.092 20 30 CCEDLO C=C(C)CN1CC(CCO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276094794 848927345 /nfs/dbraw/zinc/92/73/45/848927345.db2.gz RLZZQDBPLICXAN-UHFFFAOYSA-N 1 2 292.383 0.092 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110933002 849030023 /nfs/dbraw/zinc/03/00/23/849030023.db2.gz DVRBEYPBCJBTSY-LPWJVIDDSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110933002 849030026 /nfs/dbraw/zinc/03/00/26/849030026.db2.gz DVRBEYPBCJBTSY-LPWJVIDDSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114757761 849386918 /nfs/dbraw/zinc/38/69/18/849386918.db2.gz QEQKFFRSZZUXHG-IMRBUKKESA-N 1 2 276.340 0.972 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114757761 849386921 /nfs/dbraw/zinc/38/69/21/849386921.db2.gz QEQKFFRSZZUXHG-IMRBUKKESA-N 1 2 276.340 0.972 20 30 CCEDLO C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038623650 849691582 /nfs/dbraw/zinc/69/15/82/849691582.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623650 849691586 /nfs/dbraw/zinc/69/15/86/849691586.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 1 2 295.427 0.862 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174003 849807868 /nfs/dbraw/zinc/80/78/68/849807868.db2.gz DMLUCMQXTAWHDE-CYBMUJFWSA-N 1 2 298.350 0.624 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC ZINC001038187400 849814059 /nfs/dbraw/zinc/81/40/59/849814059.db2.gz XWNREJBUFPRULB-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC ZINC001038187400 849814070 /nfs/dbraw/zinc/81/40/70/849814070.db2.gz XWNREJBUFPRULB-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279640 849840352 /nfs/dbraw/zinc/84/03/52/849840352.db2.gz HBNVHSIMUNZBDM-SNVBAGLBSA-N 1 2 278.360 0.418 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279640 849840358 /nfs/dbraw/zinc/84/03/58/849840358.db2.gz HBNVHSIMUNZBDM-SNVBAGLBSA-N 1 2 278.360 0.418 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001038364180 849862365 /nfs/dbraw/zinc/86/23/65/849862365.db2.gz ROBKTRQOOWJYSH-KBPBESRZSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001038364180 849862376 /nfs/dbraw/zinc/86/23/76/849862376.db2.gz ROBKTRQOOWJYSH-KBPBESRZSA-N 1 2 299.378 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038424976 849893759 /nfs/dbraw/zinc/89/37/59/849893759.db2.gz XJJXOWOZECBPLK-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038424976 849893762 /nfs/dbraw/zinc/89/37/62/849893762.db2.gz XJJXOWOZECBPLK-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778469 850014148 /nfs/dbraw/zinc/01/41/48/850014148.db2.gz AQTAYHIKGHAWNX-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778469 850014153 /nfs/dbraw/zinc/01/41/53/850014153.db2.gz AQTAYHIKGHAWNX-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001038823419 850029493 /nfs/dbraw/zinc/02/94/93/850029493.db2.gz PJASPGFCSXEBTE-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001038823419 850029504 /nfs/dbraw/zinc/02/95/04/850029504.db2.gz PJASPGFCSXEBTE-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(NC(C)=O)c1 ZINC001038839418 850039530 /nfs/dbraw/zinc/03/95/30/850039530.db2.gz YDOIPILCPNBTPV-ZDUSSCGKSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(NC(C)=O)c1 ZINC001038839418 850039536 /nfs/dbraw/zinc/03/95/36/850039536.db2.gz YDOIPILCPNBTPV-ZDUSSCGKSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039081791 850151126 /nfs/dbraw/zinc/15/11/26/850151126.db2.gz YSIDFSPPYFUCKJ-NSHDSACASA-N 1 2 261.329 0.044 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039081791 850151130 /nfs/dbraw/zinc/15/11/30/850151130.db2.gz YSIDFSPPYFUCKJ-NSHDSACASA-N 1 2 261.329 0.044 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216136 850598175 /nfs/dbraw/zinc/59/81/75/850598175.db2.gz MDVBXQLMBAUXNA-YPMHNXCESA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216136 850598176 /nfs/dbraw/zinc/59/81/76/850598176.db2.gz MDVBXQLMBAUXNA-YPMHNXCESA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216134 850599118 /nfs/dbraw/zinc/59/91/18/850599118.db2.gz MDVBXQLMBAUXNA-DGCLKSJQSA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216134 850599125 /nfs/dbraw/zinc/59/91/25/850599125.db2.gz MDVBXQLMBAUXNA-DGCLKSJQSA-N 1 2 288.351 0.295 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001042441869 850647243 /nfs/dbraw/zinc/64/72/43/850647243.db2.gz VDAXWJXJQRWJHW-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2CC)C1 ZINC001042652735 850725383 /nfs/dbraw/zinc/72/53/83/850725383.db2.gz SGJVCZWNLIAWEM-UHFFFAOYSA-N 1 2 260.341 0.683 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001042767932 850757409 /nfs/dbraw/zinc/75/74/09/850757409.db2.gz NMMRPAUFKZYXQW-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001042841986 850769517 /nfs/dbraw/zinc/76/95/17/850769517.db2.gz QTPNBQAVCIGJAR-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001042905668 850779269 /nfs/dbraw/zinc/77/92/69/850779269.db2.gz ZUBHLYSHIMBGEM-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001043034342 850800372 /nfs/dbraw/zinc/80/03/72/850800372.db2.gz JSKDNFLNEALHMQ-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043141212 850820133 /nfs/dbraw/zinc/82/01/33/850820133.db2.gz ZFURVZFEZBWTPJ-GFCCVEGCSA-N 1 2 274.368 0.774 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC001043139085 850820842 /nfs/dbraw/zinc/82/08/42/850820842.db2.gz DGFJHNGCKSVPKM-LLVKDONJSA-N 1 2 273.340 0.112 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001043370153 850861093 /nfs/dbraw/zinc/86/10/93/850861093.db2.gz XFHOLXYQBXYZAF-UHFFFAOYSA-N 1 2 298.350 0.143 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001043376239 850861694 /nfs/dbraw/zinc/86/16/94/850861694.db2.gz NLGZPWSEJIGSOA-UHFFFAOYSA-N 1 2 285.351 0.760 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cn(CC)nn2)C1 ZINC001043433325 850872671 /nfs/dbraw/zinc/87/26/71/850872671.db2.gz GQVCRWRDUVWDKY-UHFFFAOYSA-N 1 2 263.345 0.169 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001043940751 850968835 /nfs/dbraw/zinc/96/88/35/850968835.db2.gz YLGBZMNRECXJAI-AAEUAGOBSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CC)nc2C)C1 ZINC001043987075 850978342 /nfs/dbraw/zinc/97/83/42/850978342.db2.gz VDOMPYQBBWWOQN-UHFFFAOYSA-N 1 2 274.368 0.991 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001044014066 850984770 /nfs/dbraw/zinc/98/47/70/850984770.db2.gz GMQQBTNYSMOVMB-AWEZNQCLSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001044168271 851029362 /nfs/dbraw/zinc/02/93/62/851029362.db2.gz GSLCYNUWQGHMDM-LBPRGKRZSA-N 1 2 280.372 0.248 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2c(C)csc2=O)C1 ZINC001044284324 851059569 /nfs/dbraw/zinc/05/95/69/851059569.db2.gz FSZVUAXSSSTUML-UHFFFAOYSA-N 1 2 281.381 0.547 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001095982618 851121643 /nfs/dbraw/zinc/12/16/43/851121643.db2.gz GQJPBBHWILWKQL-WOPDTQHZSA-N 1 2 277.368 0.550 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001095982618 851121646 /nfs/dbraw/zinc/12/16/46/851121646.db2.gz GQJPBBHWILWKQL-WOPDTQHZSA-N 1 2 277.368 0.550 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnon1 ZINC001045735057 851304960 /nfs/dbraw/zinc/30/49/60/851304960.db2.gz KPFKITZWSFMYSV-RTXFEEFZSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnon1 ZINC001045735057 851304973 /nfs/dbraw/zinc/30/49/73/851304973.db2.gz KPFKITZWSFMYSV-RTXFEEFZSA-N 1 2 289.339 0.795 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001045993466 851344237 /nfs/dbraw/zinc/34/42/37/851344237.db2.gz WRFZUMYATCJIMM-CQSZACIVSA-N 1 2 276.384 0.529 20 30 CCEDLO CCCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001045996280 851344638 /nfs/dbraw/zinc/34/46/38/851344638.db2.gz CORJPNVAJWXJTM-CYBMUJFWSA-N 1 2 264.373 0.529 20 30 CCEDLO CC1(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CCC1 ZINC001046051458 851357075 /nfs/dbraw/zinc/35/70/75/851357075.db2.gz HWXUMSOLUOTRIQ-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC001046167146 851405203 /nfs/dbraw/zinc/40/52/03/851405203.db2.gz VIGAEPLWGLRSHF-LLVKDONJSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC001046167146 851405207 /nfs/dbraw/zinc/40/52/07/851405207.db2.gz VIGAEPLWGLRSHF-LLVKDONJSA-N 1 2 250.327 0.366 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286190 851453299 /nfs/dbraw/zinc/45/32/99/851453299.db2.gz SKEUCINTWOORQN-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286190 851453307 /nfs/dbraw/zinc/45/33/07/851453307.db2.gz SKEUCINTWOORQN-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001047306492 851707988 /nfs/dbraw/zinc/70/79/88/851707988.db2.gz VHLHHFHFUGDGQS-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001047306492 851707994 /nfs/dbraw/zinc/70/79/94/851707994.db2.gz VHLHHFHFUGDGQS-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001047409868 851752835 /nfs/dbraw/zinc/75/28/35/851752835.db2.gz ZTOBWOCNQYVIFY-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001047409868 851752837 /nfs/dbraw/zinc/75/28/37/851752837.db2.gz ZTOBWOCNQYVIFY-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001047474412 851775958 /nfs/dbraw/zinc/77/59/58/851775958.db2.gz YFIWBNXWGFVLPW-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001047474412 851775962 /nfs/dbraw/zinc/77/59/62/851775962.db2.gz YFIWBNXWGFVLPW-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001047503740 851793347 /nfs/dbraw/zinc/79/33/47/851793347.db2.gz LDKWGSHFAPSIBZ-QWRGUYRKSA-N 1 2 298.289 0.968 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001047503740 851793349 /nfs/dbraw/zinc/79/33/49/851793349.db2.gz LDKWGSHFAPSIBZ-QWRGUYRKSA-N 1 2 298.289 0.968 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047533560 851804569 /nfs/dbraw/zinc/80/45/69/851804569.db2.gz WGSHYESIDYHJGC-VOAKCMCISA-N 1 2 286.347 0.051 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047533560 851804573 /nfs/dbraw/zinc/80/45/73/851804573.db2.gz WGSHYESIDYHJGC-VOAKCMCISA-N 1 2 286.347 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001047552495 851812146 /nfs/dbraw/zinc/81/21/46/851812146.db2.gz HQXGKCBVGKQQTA-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001047552495 851812162 /nfs/dbraw/zinc/81/21/62/851812162.db2.gz HQXGKCBVGKQQTA-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001047548642 851813481 /nfs/dbraw/zinc/81/34/81/851813481.db2.gz FDJZVMPHGWLELH-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001047548642 851813485 /nfs/dbraw/zinc/81/34/85/851813485.db2.gz FDJZVMPHGWLELH-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001048900472 852102026 /nfs/dbraw/zinc/10/20/26/852102026.db2.gz FNYTXIVWRUPAFP-MELADBBJSA-N 1 2 299.378 0.359 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001049051484 852150636 /nfs/dbraw/zinc/15/06/36/852150636.db2.gz PVNCSIAFEVVEPZ-FRRDWIJNSA-N 1 2 299.378 0.743 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049195778 852189156 /nfs/dbraw/zinc/18/91/56/852189156.db2.gz NBLIBIRZACIUDN-BETUJISGSA-N 1 2 287.367 0.266 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001097045219 852493234 /nfs/dbraw/zinc/49/32/34/852493234.db2.gz KPEWFEAFUQSXOG-UTUOFQBUSA-N 1 2 273.340 0.010 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001097045219 852493238 /nfs/dbraw/zinc/49/32/38/852493238.db2.gz KPEWFEAFUQSXOG-UTUOFQBUSA-N 1 2 273.340 0.010 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097068399 852494818 /nfs/dbraw/zinc/49/48/18/852494818.db2.gz BHWYLWDHRKSJDF-RAIGVLPGSA-N 1 2 288.351 0.882 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C)CCO2 ZINC001053184173 852705026 /nfs/dbraw/zinc/70/50/26/852705026.db2.gz NSUQRIKALGPTOC-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC(OC)C1)O2 ZINC001053614916 852771217 /nfs/dbraw/zinc/77/12/17/852771217.db2.gz VFGODWFPTKXRFM-ROKHWSDSSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccncc1)CO2 ZINC001053720728 852788164 /nfs/dbraw/zinc/78/81/64/852788164.db2.gz DFDHNBMNDOYRBM-CQSZACIVSA-N 1 2 285.347 0.678 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)on1)CO2 ZINC001053732423 852792993 /nfs/dbraw/zinc/79/29/93/852792993.db2.gz UDXHCADPIHCUKH-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1)CO2 ZINC001053733619 852794991 /nfs/dbraw/zinc/79/49/91/852794991.db2.gz AARNTPANKNLEBR-CYBMUJFWSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]c1)CO2 ZINC001053747472 852800836 /nfs/dbraw/zinc/80/08/36/852800836.db2.gz YXLMJKVNNDOFGX-GFCCVEGCSA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cocn1)CO2 ZINC001053759872 852807970 /nfs/dbraw/zinc/80/79/70/852807970.db2.gz PTNQTANVWUMWNL-LLVKDONJSA-N 1 2 275.308 0.271 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001097922220 852862704 /nfs/dbraw/zinc/86/27/04/852862704.db2.gz UDSSSVLPUPLQLW-LLVKDONJSA-N 1 2 299.338 0.470 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001097922763 852864321 /nfs/dbraw/zinc/86/43/21/852864321.db2.gz ZAUVYNCXESSHHI-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NCC#N ZINC001054630339 852983126 /nfs/dbraw/zinc/98/31/26/852983126.db2.gz XNBYELXBZNCLSS-WDEREUQCSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001054636216 852986197 /nfs/dbraw/zinc/98/61/97/852986197.db2.gz JOCMPPRJKCGOTH-ZWNOBZJWSA-N 1 2 288.351 0.728 20 30 CCEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001056657424 853181656 /nfs/dbraw/zinc/18/16/56/853181656.db2.gz WWWFBAHIVYTXJS-LLVKDONJSA-N 1 2 297.322 0.258 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001050830217 853450745 /nfs/dbraw/zinc/45/07/45/853450745.db2.gz KDXJYXJGTDYOGI-CYBMUJFWSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001050830217 853450747 /nfs/dbraw/zinc/45/07/47/853450747.db2.gz KDXJYXJGTDYOGI-CYBMUJFWSA-N 1 2 278.356 0.807 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001050918663 853486364 /nfs/dbraw/zinc/48/63/64/853486364.db2.gz VYFFVYQBLOPOHE-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001050918663 853486367 /nfs/dbraw/zinc/48/63/67/853486367.db2.gz VYFFVYQBLOPOHE-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001051056158 853513367 /nfs/dbraw/zinc/51/33/67/853513367.db2.gz KIQUNJJKZCNWPE-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001051056158 853513377 /nfs/dbraw/zinc/51/33/77/853513377.db2.gz KIQUNJJKZCNWPE-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001051065301 853515016 /nfs/dbraw/zinc/51/50/16/853515016.db2.gz DSZNYJZWYQXGJP-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001051065301 853515021 /nfs/dbraw/zinc/51/50/21/853515021.db2.gz DSZNYJZWYQXGJP-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001051126379 853528892 /nfs/dbraw/zinc/52/88/92/853528892.db2.gz FLSLJLJDIYNRNQ-YJNKXOJESA-N 1 2 294.395 0.947 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001051126379 853528898 /nfs/dbraw/zinc/52/88/98/853528898.db2.gz FLSLJLJDIYNRNQ-YJNKXOJESA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC001051134641 853530961 /nfs/dbraw/zinc/53/09/61/853530961.db2.gz SWOCJCCKRGEBCP-AWEZNQCLSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC001051134641 853530963 /nfs/dbraw/zinc/53/09/63/853530963.db2.gz SWOCJCCKRGEBCP-AWEZNQCLSA-N 1 2 290.367 0.873 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051990247 853671229 /nfs/dbraw/zinc/67/12/29/853671229.db2.gz PANSCWDVPMFQEH-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051990247 853671235 /nfs/dbraw/zinc/67/12/35/853671235.db2.gz PANSCWDVPMFQEH-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051996310 853671256 /nfs/dbraw/zinc/67/12/56/853671256.db2.gz MEZYDEFBJIYIMS-CYBMUJFWSA-N 1 2 290.367 0.693 20 30 CCEDLO CC[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052063547 853678923 /nfs/dbraw/zinc/67/89/23/853678923.db2.gz VTOXZYOMNUTSNX-CHWSQXEVSA-N 1 2 282.363 0.477 20 30 CCEDLO N#Cc1nccc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058422396 853842309 /nfs/dbraw/zinc/84/23/09/853842309.db2.gz DAIPNXHSXRCMRQ-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](n2ccnn2)C1 ZINC001070060057 854022367 /nfs/dbraw/zinc/02/23/67/854022367.db2.gz BDFAAFHQCBRFIX-KGLIPLIRSA-N 1 2 299.334 0.089 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccco2)[C@@H](n2ccnn2)C1 ZINC001070060057 854022371 /nfs/dbraw/zinc/02/23/71/854022371.db2.gz BDFAAFHQCBRFIX-KGLIPLIRSA-N 1 2 299.334 0.089 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NCC#N ZINC001070610316 854081809 /nfs/dbraw/zinc/08/18/09/854081809.db2.gz HFRZMRBLFMJGRO-VXGBXAGGSA-N 1 2 273.340 0.238 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070934221 854104284 /nfs/dbraw/zinc/10/42/84/854104284.db2.gz WNQAXLYKSCHMNP-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001070934975 854104875 /nfs/dbraw/zinc/10/48/75/854104875.db2.gz UOHMRMIRESLJFK-QWHCGFSZSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001070934975 854104877 /nfs/dbraw/zinc/10/48/77/854104877.db2.gz UOHMRMIRESLJFK-QWHCGFSZSA-N 1 2 279.384 0.479 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073157485 854539313 /nfs/dbraw/zinc/53/93/13/854539313.db2.gz PHYLINZFOPBOOA-UHFFFAOYSA-N 1 2 287.367 0.411 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074237471 854702622 /nfs/dbraw/zinc/70/26/22/854702622.db2.gz ZPVXRRWXIZLVTR-CABCVRRESA-N 1 2 292.379 0.084 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074237471 854702628 /nfs/dbraw/zinc/70/26/28/854702628.db2.gz ZPVXRRWXIZLVTR-CABCVRRESA-N 1 2 292.379 0.084 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001099404750 854933017 /nfs/dbraw/zinc/93/30/17/854933017.db2.gz IRFXPDKOLDCYFG-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001100037669 855078280 /nfs/dbraw/zinc/07/82/80/855078280.db2.gz MQMIDZYZVKVCHY-UHFFFAOYSA-N 1 2 284.323 0.851 20 30 CCEDLO CCOC(=O)N1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001256028753 855125684 /nfs/dbraw/zinc/12/56/84/855125684.db2.gz JHTUNPOAQBQYEH-MNOVXSKESA-N 1 2 252.318 0.015 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)nn1 ZINC001100380098 855158246 /nfs/dbraw/zinc/15/82/46/855158246.db2.gz BLMUWWBHUCSAAQ-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)nn1 ZINC001100380098 855158252 /nfs/dbraw/zinc/15/82/52/855158252.db2.gz BLMUWWBHUCSAAQ-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1nccnc1C#N ZINC001100555408 855187638 /nfs/dbraw/zinc/18/76/38/855187638.db2.gz RENKWZNCGHMSBC-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116548326 855786445 /nfs/dbraw/zinc/78/64/45/855786445.db2.gz MEOSAZLMXBHFHT-JTQLQIEISA-N 1 2 271.342 0.161 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001116674518 855810881 /nfs/dbraw/zinc/81/08/81/855810881.db2.gz AKANKGVBOUSRRQ-VIFPVBQESA-N 1 2 250.327 0.571 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001118326213 856262821 /nfs/dbraw/zinc/26/28/21/856262821.db2.gz QHMKHXFJVKNIFB-ZDUSSCGKSA-N 1 2 289.379 0.165 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC001118972602 856514371 /nfs/dbraw/zinc/51/43/71/856514371.db2.gz FQFWZPPSCBERBO-RKDXNWHRSA-N 1 2 256.269 0.757 20 30 CCEDLO CC#CCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001119273888 856606945 /nfs/dbraw/zinc/60/69/45/856606945.db2.gz BSYXTNFAPPKMNT-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO CC#CCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001119273888 856606947 /nfs/dbraw/zinc/60/69/47/856606947.db2.gz BSYXTNFAPPKMNT-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001119322224 856630105 /nfs/dbraw/zinc/63/01/05/856630105.db2.gz JHGDELQVUVNCRO-AGIUHOORSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001119353041 856647377 /nfs/dbraw/zinc/64/73/77/856647377.db2.gz RPYGSTQMJPMURB-NSHDSACASA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001119663924 856825102 /nfs/dbraw/zinc/82/51/02/856825102.db2.gz ZTUABWYVLHFVKB-JSGCOSHPSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001119663924 856825106 /nfs/dbraw/zinc/82/51/06/856825106.db2.gz ZTUABWYVLHFVKB-JSGCOSHPSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001323245325 912217897 /nfs/dbraw/zinc/21/78/97/912217897.db2.gz ZHQHWGUNWDUWOC-QWHCGFSZSA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001323245325 912217917 /nfs/dbraw/zinc/21/79/17/912217917.db2.gz ZHQHWGUNWDUWOC-QWHCGFSZSA-N 1 2 279.384 0.812 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1c(C)c(C)sc1=O ZINC001323354422 912289826 /nfs/dbraw/zinc/28/98/26/912289826.db2.gz AMCQHVPSGFZOPJ-GFCCVEGCSA-N 1 2 293.392 0.350 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c(C)c(C)sc1=O ZINC001323354422 912289843 /nfs/dbraw/zinc/28/98/43/912289843.db2.gz AMCQHVPSGFZOPJ-GFCCVEGCSA-N 1 2 293.392 0.350 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](OC)C2CC2)C1 ZINC001323922246 912584854 /nfs/dbraw/zinc/58/48/54/912584854.db2.gz VDTDUILHYIREJX-AWEZNQCLSA-N 1 2 282.384 0.757 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC001393614951 912683193 /nfs/dbraw/zinc/68/31/93/912683193.db2.gz YOYXDJPVBMIHOC-MNOVXSKESA-N 1 2 293.375 0.211 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC001393614951 912683202 /nfs/dbraw/zinc/68/32/02/912683202.db2.gz YOYXDJPVBMIHOC-MNOVXSKESA-N 1 2 293.375 0.211 20 30 CCEDLO C=C[C@H](COC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001324913299 913095743 /nfs/dbraw/zinc/09/57/43/913095743.db2.gz WBDARQCIWRBJBW-TZMCWYRMSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@H](COC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001324913299 913095754 /nfs/dbraw/zinc/09/57/54/913095754.db2.gz WBDARQCIWRBJBW-TZMCWYRMSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](CCOCC)C1 ZINC001325281122 913316057 /nfs/dbraw/zinc/31/60/57/913316057.db2.gz LCWXLGFTMUBXOO-UHFFFAOYSA-N 1 2 284.400 0.788 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001480862846 891407470 /nfs/dbraw/zinc/40/74/70/891407470.db2.gz GDVBUASSFLZCCK-LBPRGKRZSA-N 1 2 278.356 0.006 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001480862846 891407474 /nfs/dbraw/zinc/40/74/74/891407474.db2.gz GDVBUASSFLZCCK-LBPRGKRZSA-N 1 2 278.356 0.006 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001481000839 892043345 /nfs/dbraw/zinc/04/33/45/892043345.db2.gz IAYNXRYBZREBMB-ZJUUUORDSA-N 1 2 273.764 0.298 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001481000839 892043362 /nfs/dbraw/zinc/04/33/62/892043362.db2.gz IAYNXRYBZREBMB-ZJUUUORDSA-N 1 2 273.764 0.298 20 30 CCEDLO C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001481154535 892237930 /nfs/dbraw/zinc/23/79/30/892237930.db2.gz KURUDGMSVCXQJB-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001481154535 892237947 /nfs/dbraw/zinc/23/79/47/892237947.db2.gz KURUDGMSVCXQJB-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(CC#N)C1 ZINC001481529672 892777329 /nfs/dbraw/zinc/77/73/29/892777329.db2.gz SJHQPKNAUAQLEU-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001481623004 892923031 /nfs/dbraw/zinc/92/30/31/892923031.db2.gz UDISSDUHJPYHFG-HNNXBMFYSA-N 1 2 293.367 0.858 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001481704585 893049863 /nfs/dbraw/zinc/04/98/63/893049863.db2.gz VDADWADEWODXPF-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001481704585 893049881 /nfs/dbraw/zinc/04/98/81/893049881.db2.gz VDADWADEWODXPF-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](CC=C)CCO1 ZINC001482185070 893474656 /nfs/dbraw/zinc/47/46/56/893474656.db2.gz PVDHKGRXBSXNER-GFCCVEGCSA-N 1 2 254.330 0.192 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](CC=C)CCO1 ZINC001482185070 893474662 /nfs/dbraw/zinc/47/46/62/893474662.db2.gz PVDHKGRXBSXNER-GFCCVEGCSA-N 1 2 254.330 0.192 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001396505736 913903446 /nfs/dbraw/zinc/90/34/46/913903446.db2.gz YVAMAWFCRYBHRY-NEPJUHHUSA-N 1 2 289.339 0.102 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(NC(C)=O)CCCC2)C1 ZINC001483883085 896090956 /nfs/dbraw/zinc/09/09/56/896090956.db2.gz PTPVTZPRZPSCLA-UHFFFAOYSA-N 1 2 291.395 0.601 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nnc(C)o2)C1 ZINC001484207491 896239168 /nfs/dbraw/zinc/23/91/68/896239168.db2.gz GBRZFIITXYRXBE-AWEZNQCLSA-N 1 2 294.355 0.397 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nnc(C)o2)C1 ZINC001484207491 896239177 /nfs/dbraw/zinc/23/91/77/896239177.db2.gz GBRZFIITXYRXBE-AWEZNQCLSA-N 1 2 294.355 0.397 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001326630171 914064059 /nfs/dbraw/zinc/06/40/59/914064059.db2.gz ZMBYULRIZSOYTF-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001326630171 914064077 /nfs/dbraw/zinc/06/40/77/914064077.db2.gz ZMBYULRIZSOYTF-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484795402 896609420 /nfs/dbraw/zinc/60/94/20/896609420.db2.gz GPXDVAWDUDJIHS-STQMWFEESA-N 1 2 282.384 0.683 20 30 CCEDLO COCC#CC[NH2+][C@@H](C)CCNC(=O)c1[nH]ncc1F ZINC001484998703 896703938 /nfs/dbraw/zinc/70/39/38/896703938.db2.gz XDOKPHSUGBMIJZ-JTQLQIEISA-N 1 2 282.319 0.297 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001409922219 897270298 /nfs/dbraw/zinc/27/02/98/897270298.db2.gz XPNKWRSMTVHVCH-VIFPVBQESA-N 1 2 297.790 0.845 20 30 CCEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@](O)(CC#N)C1 ZINC001326766137 914151566 /nfs/dbraw/zinc/15/15/66/914151566.db2.gz BBLBXIVLVMCWRP-GFCCVEGCSA-N 1 2 258.285 0.218 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(O)CC1 ZINC001032379765 897371827 /nfs/dbraw/zinc/37/18/27/897371827.db2.gz FNCRTOJJBFZRSM-QPPOZKHWSA-N 1 2 262.353 0.456 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(O)CC1 ZINC001032379765 897371838 /nfs/dbraw/zinc/37/18/38/897371838.db2.gz FNCRTOJJBFZRSM-QPPOZKHWSA-N 1 2 262.353 0.456 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CC1 ZINC001032380797 897376854 /nfs/dbraw/zinc/37/68/54/897376854.db2.gz AOWBCDPHRNCFSX-MELADBBJSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CC1 ZINC001032380797 897376868 /nfs/dbraw/zinc/37/68/68/897376868.db2.gz AOWBCDPHRNCFSX-MELADBBJSA-N 1 2 262.353 0.720 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnn2CC)C1 ZINC001107894128 897457452 /nfs/dbraw/zinc/45/74/52/897457452.db2.gz UKUBSGZPYSHRJC-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnn2CC)C1 ZINC001107894128 897457455 /nfs/dbraw/zinc/45/74/55/897457455.db2.gz UKUBSGZPYSHRJC-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907388 897485936 /nfs/dbraw/zinc/48/59/36/897485936.db2.gz RJGYKUPKAGYXMZ-OAHLLOKOSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907388 897485944 /nfs/dbraw/zinc/48/59/44/897485944.db2.gz RJGYKUPKAGYXMZ-OAHLLOKOSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)F)n1 ZINC001032439493 897566474 /nfs/dbraw/zinc/56/64/74/897566474.db2.gz GFZJAUNWGBUIGO-QWRGUYRKSA-N 1 2 294.305 0.739 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)F)n1 ZINC001032439493 897566490 /nfs/dbraw/zinc/56/64/90/897566490.db2.gz GFZJAUNWGBUIGO-QWRGUYRKSA-N 1 2 294.305 0.739 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCO2 ZINC001032448366 897580886 /nfs/dbraw/zinc/58/08/86/897580886.db2.gz JMGCXTUVJJAXCX-RYUDHWBXSA-N 1 2 286.335 0.198 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCO2 ZINC001032448366 897580895 /nfs/dbraw/zinc/58/08/95/897580895.db2.gz JMGCXTUVJJAXCX-RYUDHWBXSA-N 1 2 286.335 0.198 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107957920 897609550 /nfs/dbraw/zinc/60/95/50/897609550.db2.gz QGZAZWDWZZZSCL-IMJJTQAJSA-N 1 2 292.379 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107957920 897609555 /nfs/dbraw/zinc/60/95/55/897609555.db2.gz QGZAZWDWZZZSCL-IMJJTQAJSA-N 1 2 292.379 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1Cl ZINC001032478332 897624429 /nfs/dbraw/zinc/62/44/29/897624429.db2.gz BHQXJPDESMIASM-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1Cl ZINC001032478332 897624438 /nfs/dbraw/zinc/62/44/38/897624438.db2.gz BHQXJPDESMIASM-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(Cl)n1C ZINC001032519906 897695496 /nfs/dbraw/zinc/69/54/96/897695496.db2.gz UFQMFDLPLPHDMF-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(Cl)n1C ZINC001032519906 897695502 /nfs/dbraw/zinc/69/55/02/897695502.db2.gz UFQMFDLPLPHDMF-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001032644526 897893897 /nfs/dbraw/zinc/89/38/97/897893897.db2.gz ITGXOXPTZNXDMO-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001032644526 897893901 /nfs/dbraw/zinc/89/39/01/897893901.db2.gz ITGXOXPTZNXDMO-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N)n1cc[nH+]c1 ZINC001032656552 897902747 /nfs/dbraw/zinc/90/27/47/897902747.db2.gz FWCCZSMJQMWISK-AVGNSLFASA-N 1 2 273.340 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C ZINC001032687937 897932237 /nfs/dbraw/zinc/93/22/37/897932237.db2.gz BLKIISCTPUPHFN-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C ZINC001032687937 897932248 /nfs/dbraw/zinc/93/22/48/897932248.db2.gz BLKIISCTPUPHFN-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001032719303 897966061 /nfs/dbraw/zinc/96/60/61/897966061.db2.gz COXHQCZRUFOIMM-GJZGRUSLSA-N 1 2 284.363 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001032719303 897966076 /nfs/dbraw/zinc/96/60/76/897966076.db2.gz COXHQCZRUFOIMM-GJZGRUSLSA-N 1 2 284.363 0.825 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078034192 898193507 /nfs/dbraw/zinc/19/35/07/898193507.db2.gz RTKKFGSEAMRWFY-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001078135775 898256920 /nfs/dbraw/zinc/25/69/20/898256920.db2.gz QBCCVNWMNJUMDH-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001078135775 898256934 /nfs/dbraw/zinc/25/69/34/898256934.db2.gz QBCCVNWMNJUMDH-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078147000 898265839 /nfs/dbraw/zinc/26/58/39/898265839.db2.gz LMUMPHOJTNNIAP-VXGBXAGGSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078147000 898265858 /nfs/dbraw/zinc/26/58/58/898265858.db2.gz LMUMPHOJTNNIAP-VXGBXAGGSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001078153139 898269114 /nfs/dbraw/zinc/26/91/14/898269114.db2.gz NCSKCCRBVWCYLG-ZIAGYGMSSA-N 1 2 275.352 0.050 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001078153139 898269130 /nfs/dbraw/zinc/26/91/30/898269130.db2.gz NCSKCCRBVWCYLG-ZIAGYGMSSA-N 1 2 275.352 0.050 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001078151840 898270648 /nfs/dbraw/zinc/27/06/48/898270648.db2.gz OYOQBEOZDCWQJT-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001078151840 898270659 /nfs/dbraw/zinc/27/06/59/898270659.db2.gz OYOQBEOZDCWQJT-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001078251300 898314559 /nfs/dbraw/zinc/31/45/59/898314559.db2.gz GERUXNBBKRMLNI-MYMJJRTCSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001078251300 898314571 /nfs/dbraw/zinc/31/45/71/898314571.db2.gz GERUXNBBKRMLNI-MYMJJRTCSA-N 1 2 278.396 0.997 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001485857011 898465038 /nfs/dbraw/zinc/46/50/38/898465038.db2.gz WOTSUNZDQXFUBY-JTQLQIEISA-N 1 2 282.344 0.517 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001323979710 899561981 /nfs/dbraw/zinc/56/19/81/899561981.db2.gz RDTDXRXEMIRONH-ZFWWWQNUSA-N 1 2 284.400 0.739 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001410910816 899628356 /nfs/dbraw/zinc/62/83/56/899628356.db2.gz YQBOTONQKUAAAT-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001410910816 899628366 /nfs/dbraw/zinc/62/83/66/899628366.db2.gz YQBOTONQKUAAAT-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C=CCCC(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001299324551 899900827 /nfs/dbraw/zinc/90/08/27/899900827.db2.gz PDHJAFOUEUONNT-UHFFFAOYSA-N 1 2 276.340 0.588 20 30 CCEDLO Cn1cc(NC(=O)c2cc3n(n2)CCC[N@H+](C)C3)c(C#N)n1 ZINC001175048711 899954949 /nfs/dbraw/zinc/95/49/49/899954949.db2.gz VZEVARVGHFBTPI-UHFFFAOYSA-N 1 2 299.338 0.576 20 30 CCEDLO Cn1cc(NC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)c(C#N)n1 ZINC001175048711 899954953 /nfs/dbraw/zinc/95/49/53/899954953.db2.gz VZEVARVGHFBTPI-UHFFFAOYSA-N 1 2 299.338 0.576 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001490531352 900650153 /nfs/dbraw/zinc/65/01/53/900650153.db2.gz ULTHLTQPVGYLPX-NXEZZACHSA-N 1 2 278.312 0.533 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001490531352 900650155 /nfs/dbraw/zinc/65/01/55/900650155.db2.gz ULTHLTQPVGYLPX-NXEZZACHSA-N 1 2 278.312 0.533 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490566487 900668169 /nfs/dbraw/zinc/66/81/69/900668169.db2.gz UCFZQLRUIHPTET-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490566487 900668173 /nfs/dbraw/zinc/66/81/73/900668173.db2.gz UCFZQLRUIHPTET-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCOCC ZINC001490805775 900767153 /nfs/dbraw/zinc/76/71/53/900767153.db2.gz UCKBWBAJQQVJJV-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCOCC ZINC001490805775 900767159 /nfs/dbraw/zinc/76/71/59/900767159.db2.gz UCKBWBAJQQVJJV-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nonc1C)CC2 ZINC001273986891 900834589 /nfs/dbraw/zinc/83/45/89/900834589.db2.gz XFEOCQFOBQWCBT-LBPRGKRZSA-N 1 2 288.351 0.730 20 30 CCEDLO N#Cc1ccc(NCC(=O)NCCc2[nH]cc[nH+]2)nc1 ZINC001411804732 901263743 /nfs/dbraw/zinc/26/37/43/901263743.db2.gz VSBHWYYFCJTUMO-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(C#N)ccn1 ZINC001412378569 901673991 /nfs/dbraw/zinc/67/39/91/901673991.db2.gz YIZBCSOXXZQTAL-LLVKDONJSA-N 1 2 271.280 0.150 20 30 CCEDLO C[C@H](O)[C@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995217 902449670 /nfs/dbraw/zinc/44/96/70/902449670.db2.gz LDOUOCLPMWJDQF-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995217 902449679 /nfs/dbraw/zinc/44/96/79/902449679.db2.gz LDOUOCLPMWJDQF-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001490934592 903264264 /nfs/dbraw/zinc/26/42/64/903264264.db2.gz OKVQOKKOJRFGNJ-DCAQKATOSA-N 1 2 261.329 0.349 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001490934592 903264276 /nfs/dbraw/zinc/26/42/76/903264276.db2.gz OKVQOKKOJRFGNJ-DCAQKATOSA-N 1 2 261.329 0.349 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001491206796 903445650 /nfs/dbraw/zinc/44/56/50/903445650.db2.gz SKECKCNJTXXNOF-GFCCVEGCSA-N 1 2 275.356 0.260 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)N(C)CC#N ZINC001329575722 903811314 /nfs/dbraw/zinc/81/13/14/903811314.db2.gz VZOGUSHOGLRYTD-QWRGUYRKSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)N(C)CC#N ZINC001329575722 903811319 /nfs/dbraw/zinc/81/13/19/903811319.db2.gz VZOGUSHOGLRYTD-QWRGUYRKSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCN(C)CC#N ZINC001280863646 903910044 /nfs/dbraw/zinc/91/00/44/903910044.db2.gz DRMNBEMSZRUHIA-GFCCVEGCSA-N 1 2 277.372 0.892 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCN(C)CC#N ZINC001280863646 903910052 /nfs/dbraw/zinc/91/00/52/903910052.db2.gz DRMNBEMSZRUHIA-GFCCVEGCSA-N 1 2 277.372 0.892 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC001327816168 914782575 /nfs/dbraw/zinc/78/25/75/914782575.db2.gz JMFJUGRWJKWDCY-SNVBAGLBSA-N 1 2 298.306 0.293 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001327812284 914780348 /nfs/dbraw/zinc/78/03/48/914780348.db2.gz UFAZEDBIHQOOFA-LXIYXOSZSA-N 1 2 269.414 0.675 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001398693828 914788485 /nfs/dbraw/zinc/78/84/85/914788485.db2.gz XJRJTNRNSFLJNX-QWRGUYRKSA-N 1 2 277.328 0.557 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001398693828 914788490 /nfs/dbraw/zinc/78/84/90/914788490.db2.gz XJRJTNRNSFLJNX-QWRGUYRKSA-N 1 2 277.328 0.557 20 30 CCEDLO C=CCCCC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001283121756 904699485 /nfs/dbraw/zinc/69/94/85/904699485.db2.gz OJYMZRNQVAIKQJ-UHFFFAOYSA-N 1 2 278.356 0.551 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283204330 904754656 /nfs/dbraw/zinc/75/46/56/904754656.db2.gz SNODTFUCTFOUQT-STQMWFEESA-N 1 2 289.383 0.844 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001283605729 904927901 /nfs/dbraw/zinc/92/79/01/904927901.db2.gz JHJQONJUUHXMJP-QMTHXVAHSA-N 1 2 296.371 0.642 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001283759194 904999135 /nfs/dbraw/zinc/99/91/35/904999135.db2.gz FUGWTHJQCMQVEX-GFCCVEGCSA-N 1 2 267.329 0.598 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001337061596 921172390 /nfs/dbraw/zinc/17/23/90/921172390.db2.gz KTPYVJKVFFPKSX-GFCCVEGCSA-N 1 2 292.383 0.892 20 30 CCEDLO CC(C)OCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001378657690 905739425 /nfs/dbraw/zinc/73/94/25/905739425.db2.gz ZCHLZVQCRRHIQT-OLZOCXBDSA-N 1 2 283.372 0.388 20 30 CCEDLO CC(C)OCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001378657690 905739434 /nfs/dbraw/zinc/73/94/34/905739434.db2.gz ZCHLZVQCRRHIQT-OLZOCXBDSA-N 1 2 283.372 0.388 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001285787415 905766050 /nfs/dbraw/zinc/76/60/50/905766050.db2.gz URMMCFOBAUIGBA-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C#CC1(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCC1 ZINC001333595018 906063526 /nfs/dbraw/zinc/06/35/26/906063526.db2.gz FNYBIQQERXTXDI-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CC1(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCC1 ZINC001333595018 906063540 /nfs/dbraw/zinc/06/35/40/906063540.db2.gz FNYBIQQERXTXDI-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001337167296 921206753 /nfs/dbraw/zinc/20/67/53/921206753.db2.gz WXAYXORBURNKFI-LLVKDONJSA-N 1 2 288.351 0.329 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3cnon3)CC2)c1 ZINC001380070736 906623144 /nfs/dbraw/zinc/62/31/44/906623144.db2.gz JWSOWROWPBJTFU-UHFFFAOYSA-N 1 2 286.295 0.322 20 30 CCEDLO C#CCCCC(=O)N[C@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001297497200 907084895 /nfs/dbraw/zinc/08/48/95/907084895.db2.gz ZDNJDLZUCVKYPK-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C1CCC1 ZINC001492182523 907729324 /nfs/dbraw/zinc/72/93/24/907729324.db2.gz ZBYORHQROICQCN-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C1CCC1 ZINC001492182523 907729332 /nfs/dbraw/zinc/72/93/32/907729332.db2.gz ZBYORHQROICQCN-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492381342 907890641 /nfs/dbraw/zinc/89/06/41/907890641.db2.gz LPYGFEUDEOJVLR-GFCCVEGCSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492381342 907890658 /nfs/dbraw/zinc/89/06/58/907890658.db2.gz LPYGFEUDEOJVLR-GFCCVEGCSA-N 1 2 269.389 0.725 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC001492407719 907912256 /nfs/dbraw/zinc/91/22/56/907912256.db2.gz ZKDWTPOOUIVENU-QWHCGFSZSA-N 1 2 297.399 0.009 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC001492407719 907912267 /nfs/dbraw/zinc/91/22/67/907912267.db2.gz ZKDWTPOOUIVENU-QWHCGFSZSA-N 1 2 297.399 0.009 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccco3)n2C)CC1 ZINC001338121650 921373166 /nfs/dbraw/zinc/37/31/66/921373166.db2.gz YZEYLZMXLCYTOU-UHFFFAOYSA-N 1 2 271.324 0.830 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001383818224 908085144 /nfs/dbraw/zinc/08/51/44/908085144.db2.gz UWKRQYAECVOIQE-VXGBXAGGSA-N 1 2 291.355 0.396 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001316941859 908860170 /nfs/dbraw/zinc/86/01/70/908860170.db2.gz RZNNMTHDRXMYHB-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001316941859 908860184 /nfs/dbraw/zinc/86/01/84/908860184.db2.gz RZNNMTHDRXMYHB-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001316939236 908861699 /nfs/dbraw/zinc/86/16/99/908861699.db2.gz FAIKBCXMYGPKBM-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001316939236 908861718 /nfs/dbraw/zinc/86/17/18/908861718.db2.gz FAIKBCXMYGPKBM-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001316993398 908905500 /nfs/dbraw/zinc/90/55/00/908905500.db2.gz AXFXODSURPEYEI-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001316993398 908905511 /nfs/dbraw/zinc/90/55/11/908905511.db2.gz AXFXODSURPEYEI-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001316995392 908906999 /nfs/dbraw/zinc/90/69/99/908906999.db2.gz WIYCGEKAFFJPCO-QWRGUYRKSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001316995392 908907009 /nfs/dbraw/zinc/90/70/09/908907009.db2.gz WIYCGEKAFFJPCO-QWRGUYRKSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H](C)C1 ZINC001317465824 909241762 /nfs/dbraw/zinc/24/17/62/909241762.db2.gz GGVPHWQHVYUQTR-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@H](C)C1 ZINC001317465824 909241772 /nfs/dbraw/zinc/24/17/72/909241772.db2.gz GGVPHWQHVYUQTR-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO Cc1nnc(C[NH2+]CCN(C)C(=O)C#CC(C)C)o1 ZINC001317586588 909387168 /nfs/dbraw/zinc/38/71/68/909387168.db2.gz WMZBNNBZQRPOBP-UHFFFAOYSA-N 1 2 264.329 0.585 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001317926893 909543532 /nfs/dbraw/zinc/54/35/32/909543532.db2.gz WQQRKICIFAIIAQ-CQSZACIVSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001317926893 909543541 /nfs/dbraw/zinc/54/35/41/909543541.db2.gz WQQRKICIFAIIAQ-CQSZACIVSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001317941178 909543674 /nfs/dbraw/zinc/54/36/74/909543674.db2.gz RZDWRNBUVCDRDP-NEPJUHHUSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001317941178 909543682 /nfs/dbraw/zinc/54/36/82/909543682.db2.gz RZDWRNBUVCDRDP-NEPJUHHUSA-N 1 2 283.347 0.065 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001318070183 909607968 /nfs/dbraw/zinc/60/79/68/909607968.db2.gz VKLZIMFJOBHYIS-GJZGRUSLSA-N 1 2 294.395 0.971 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CCC(=C)C)C1 ZINC001318126792 909637508 /nfs/dbraw/zinc/63/75/08/909637508.db2.gz KKTGWMOLDSBRRQ-UHFFFAOYSA-N 1 2 277.368 0.140 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)Cc2ccco2)C1 ZINC001318161129 909648527 /nfs/dbraw/zinc/64/85/27/909648527.db2.gz GFRLPSSNMAXOGN-UHFFFAOYSA-N 1 2 291.351 0.172 20 30 CCEDLO CCN(C(=O)C=C(C)C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318458554 909764014 /nfs/dbraw/zinc/76/40/14/909764014.db2.gz MLEDMJKZBQSAEP-CYBMUJFWSA-N 1 2 292.383 0.515 20 30 CCEDLO CCN(C(=O)C=C(C)C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318458554 909764045 /nfs/dbraw/zinc/76/40/45/909764045.db2.gz MLEDMJKZBQSAEP-CYBMUJFWSA-N 1 2 292.383 0.515 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001389446712 909902071 /nfs/dbraw/zinc/90/20/71/909902071.db2.gz GPFBNDFITWPILT-NXEZZACHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001389446712 909902081 /nfs/dbraw/zinc/90/20/81/909902081.db2.gz GPFBNDFITWPILT-NXEZZACHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001319322255 910094604 /nfs/dbraw/zinc/09/46/04/910094604.db2.gz JFEGUKFDPREHFZ-OLZOCXBDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001319322255 910094625 /nfs/dbraw/zinc/09/46/25/910094625.db2.gz JFEGUKFDPREHFZ-OLZOCXBDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001319320738 910096839 /nfs/dbraw/zinc/09/68/39/910096839.db2.gz YIONGUXOTGBDAS-WCQYABFASA-N 1 2 272.320 0.118 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001319320738 910096847 /nfs/dbraw/zinc/09/68/47/910096847.db2.gz YIONGUXOTGBDAS-WCQYABFASA-N 1 2 272.320 0.118 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001319977290 910382067 /nfs/dbraw/zinc/38/20/67/910382067.db2.gz OTOOHJQPYBPQDA-CQSZACIVSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001319977290 910382086 /nfs/dbraw/zinc/38/20/86/910382086.db2.gz OTOOHJQPYBPQDA-CQSZACIVSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCCF ZINC001338894730 921598872 /nfs/dbraw/zinc/59/88/72/921598872.db2.gz LIIMHKFWSWVRII-NEPJUHHUSA-N 1 2 297.378 0.997 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCCF ZINC001338894730 921598880 /nfs/dbraw/zinc/59/88/80/921598880.db2.gz LIIMHKFWSWVRII-NEPJUHHUSA-N 1 2 297.378 0.997 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@H](C)CN(C)CC#N ZINC001322183007 911699299 /nfs/dbraw/zinc/69/92/99/911699299.db2.gz KYERIPINCNOFTF-LLVKDONJSA-N 1 2 276.340 0.593 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001323181526 912157926 /nfs/dbraw/zinc/15/79/26/912157926.db2.gz LQBSYACQFPBHTK-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001323181526 912157935 /nfs/dbraw/zinc/15/79/35/912157935.db2.gz LQBSYACQFPBHTK-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001323231905 912208554 /nfs/dbraw/zinc/20/85/54/912208554.db2.gz MELXNNWINOLPNN-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001323231905 912208571 /nfs/dbraw/zinc/20/85/71/912208571.db2.gz MELXNNWINOLPNN-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC001399441868 915178551 /nfs/dbraw/zinc/17/85/51/915178551.db2.gz XLLIUYPPYPHWAE-LBPRGKRZSA-N 1 2 296.415 0.746 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC001399441868 915178558 /nfs/dbraw/zinc/17/85/58/915178558.db2.gz XLLIUYPPYPHWAE-LBPRGKRZSA-N 1 2 296.415 0.746 20 30 CCEDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)nn1 ZINC001400464504 915760532 /nfs/dbraw/zinc/76/05/32/915760532.db2.gz HONJLFJRHVVMBF-JTQLQIEISA-N 1 2 289.339 0.193 20 30 CCEDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)cn1 ZINC001400476142 915768505 /nfs/dbraw/zinc/76/85/05/915768505.db2.gz RCEZPEIIDQMMKD-LLVKDONJSA-N 1 2 288.351 0.798 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001400604704 915828064 /nfs/dbraw/zinc/82/80/64/915828064.db2.gz ILCRSVWEVXWUNL-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001400604704 915828078 /nfs/dbraw/zinc/82/80/78/915828078.db2.gz ILCRSVWEVXWUNL-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCC1(O)CC[NH+](Cc2nc(CC(=O)NC)no2)CC1 ZINC001331706933 917531982 /nfs/dbraw/zinc/53/19/82/917531982.db2.gz NMGDISQVPCOGEV-UHFFFAOYSA-N 1 2 294.355 0.261 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001403634902 917870047 /nfs/dbraw/zinc/87/00/47/917870047.db2.gz GGODLIHSUOTWRW-NWDGAFQWSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001403634902 917870056 /nfs/dbraw/zinc/87/00/56/917870056.db2.gz GGODLIHSUOTWRW-NWDGAFQWSA-N 1 2 290.791 0.838 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CC2CC2)CCC[N@@H+]1CC(=O)NCC#N ZINC001332160168 917917189 /nfs/dbraw/zinc/91/71/89/917917189.db2.gz QMRWFULASLAMSZ-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CC2CC2)CCC[N@H+]1CC(=O)NCC#N ZINC001332160168 917917197 /nfs/dbraw/zinc/91/71/97/917917197.db2.gz QMRWFULASLAMSZ-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001332180163 917937800 /nfs/dbraw/zinc/93/78/00/917937800.db2.gz WLYCXCOCWBAATM-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001332180163 917937808 /nfs/dbraw/zinc/93/78/08/917937808.db2.gz WLYCXCOCWBAATM-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001404990100 918550714 /nfs/dbraw/zinc/55/07/14/918550714.db2.gz SVFAKLRQJDQUDI-STQMWFEESA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001404990100 918550723 /nfs/dbraw/zinc/55/07/23/918550723.db2.gz SVFAKLRQJDQUDI-STQMWFEESA-N 1 2 292.383 0.349 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001405098778 918601729 /nfs/dbraw/zinc/60/17/29/918601729.db2.gz KNBWMVSZGQVLFY-NWDGAFQWSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001405098778 918601742 /nfs/dbraw/zinc/60/17/42/918601742.db2.gz KNBWMVSZGQVLFY-NWDGAFQWSA-N 1 2 290.371 0.490 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001406583044 919362408 /nfs/dbraw/zinc/36/24/08/919362408.db2.gz NWZCENQGKGCUEM-VIFPVBQESA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001406583044 919362390 /nfs/dbraw/zinc/36/23/90/919362390.db2.gz NWZCENQGKGCUEM-VIFPVBQESA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406705193 919437306 /nfs/dbraw/zinc/43/73/06/919437306.db2.gz PBQGUYJZFATDQR-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406705193 919437316 /nfs/dbraw/zinc/43/73/16/919437316.db2.gz PBQGUYJZFATDQR-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001334385042 919542178 /nfs/dbraw/zinc/54/21/78/919542178.db2.gz BILARJJIZJPJDQ-NXEZZACHSA-N 1 2 270.358 0.474 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001334733845 919733221 /nfs/dbraw/zinc/73/32/21/919733221.db2.gz SXLMPBKPVCRYIT-GFCCVEGCSA-N 1 2 273.336 0.432 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@]2(CO)CCC[N@H+](CCF)C2)c1 ZINC001407635413 919837827 /nfs/dbraw/zinc/83/78/27/919837827.db2.gz SQBHQQTVMCZFFA-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@]2(CO)CCC[N@@H+](CCF)C2)c1 ZINC001407635413 919837833 /nfs/dbraw/zinc/83/78/33/919837833.db2.gz SQBHQQTVMCZFFA-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO COC1(OC)CCOC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC001336200397 920655367 /nfs/dbraw/zinc/65/53/67/920655367.db2.gz PPEUFGUMAWLJGP-RYUDHWBXSA-N 1 2 267.329 0.798 20 30 CCEDLO C#CC[NH+]1CCN(c2nccn3c(C)nnc23)CC1 ZINC001336383288 920750067 /nfs/dbraw/zinc/75/00/67/920750067.db2.gz LXBQCTLUPXFNTM-UHFFFAOYSA-N 1 2 256.313 0.188 20 30 CCEDLO COCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001418434111 922103974 /nfs/dbraw/zinc/10/39/74/922103974.db2.gz HALZFSUSMPLPIP-UHFFFAOYSA-N 1 2 279.315 0.892 20 30 CCEDLO COCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001418434111 922103982 /nfs/dbraw/zinc/10/39/82/922103982.db2.gz HALZFSUSMPLPIP-UHFFFAOYSA-N 1 2 279.315 0.892 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OCC ZINC001341595186 922574267 /nfs/dbraw/zinc/57/42/67/922574267.db2.gz SWWQORAEDFSOTC-DTWKUNHWSA-N 1 2 278.299 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CN1CCCC1=O ZINC001419941505 923173234 /nfs/dbraw/zinc/17/32/34/923173234.db2.gz PVVGTVFFLHBJQG-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CN1CCCC1=O ZINC001419941505 923173245 /nfs/dbraw/zinc/17/32/45/923173245.db2.gz PVVGTVFFLHBJQG-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO Cn1ncc(C[NH2+]C2(CNC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001420941356 924045879 /nfs/dbraw/zinc/04/58/79/924045879.db2.gz FRANKGBJEHTKLP-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001346766906 924307908 /nfs/dbraw/zinc/30/79/08/924307908.db2.gz MWXIMHJRSZNSON-DZGCQCFKSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001346766906 924307914 /nfs/dbraw/zinc/30/79/14/924307914.db2.gz MWXIMHJRSZNSON-DZGCQCFKSA-N 1 2 292.427 0.676 20 30 CCEDLO N#CC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001347608837 924491982 /nfs/dbraw/zinc/49/19/82/924491982.db2.gz KDXKOBXBJAHZBA-UHFFFAOYSA-N 1 2 262.313 0.779 20 30 CCEDLO C#C[C@H](CC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001348793795 924805945 /nfs/dbraw/zinc/80/59/45/924805945.db2.gz OCZNWAAJGOLUOW-QWHCGFSZSA-N 1 2 266.389 0.333 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349878242 925083740 /nfs/dbraw/zinc/08/37/40/925083740.db2.gz BPDWFGJTYHFUIE-KGLIPLIRSA-N 1 2 298.431 0.106 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001350584256 925231775 /nfs/dbraw/zinc/23/17/75/925231775.db2.gz RQJHKJDQNGVROD-NSHDSACASA-N 1 2 261.325 0.595 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001351197702 925383466 /nfs/dbraw/zinc/38/34/66/925383466.db2.gz HSBDEUBTZPLMPQ-GFCCVEGCSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001351197702 925383475 /nfs/dbraw/zinc/38/34/75/925383475.db2.gz HSBDEUBTZPLMPQ-GFCCVEGCSA-N 1 2 267.373 0.655 20 30 CCEDLO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001480437321 925708759 /nfs/dbraw/zinc/70/87/59/925708759.db2.gz HQTSFRVEVCPUBM-BDAKNGLRSA-N 1 2 250.302 0.737 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001480460777 925782031 /nfs/dbraw/zinc/78/20/31/925782031.db2.gz YTKDDCLHKYXQNH-SNVBAGLBSA-N 1 2 282.369 0.172 20 30 CCEDLO CC[NH+](CC)CCCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001354090499 926011034 /nfs/dbraw/zinc/01/10/34/926011034.db2.gz UNRQMLKNSOUMPJ-UHFFFAOYSA-N 1 2 293.371 0.479 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001355851278 926318938 /nfs/dbraw/zinc/31/89/38/926318938.db2.gz JMXMROAXTYTTBQ-NSHDSACASA-N 1 2 294.355 0.118 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001356271094 926363397 /nfs/dbraw/zinc/36/33/97/926363397.db2.gz VEKPIHWACWIRKA-SWLSCSKDSA-N 1 2 291.399 0.669 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001356271094 926363402 /nfs/dbraw/zinc/36/34/02/926363402.db2.gz VEKPIHWACWIRKA-SWLSCSKDSA-N 1 2 291.399 0.669 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358510033 926720653 /nfs/dbraw/zinc/72/06/53/926720653.db2.gz NECKUXCBIBNYKO-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO Cn1ncnc1C[NH2+]C1(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001423197287 927730433 /nfs/dbraw/zinc/73/04/33/927730433.db2.gz VHUZIAHYAFRWLC-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001362227128 927750789 /nfs/dbraw/zinc/75/07/89/927750789.db2.gz HQUNPFZVYWYZDX-GHMZBOCLSA-N 1 2 287.323 0.098 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001362227128 927750793 /nfs/dbraw/zinc/75/07/93/927750793.db2.gz HQUNPFZVYWYZDX-GHMZBOCLSA-N 1 2 287.323 0.098 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001425229915 928469738 /nfs/dbraw/zinc/46/97/38/928469738.db2.gz MWHLSGRRZFVNDE-QWRGUYRKSA-N 1 2 299.802 0.702 20 30 CCEDLO N#Cc1ccc(F)cc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001363153106 928923688 /nfs/dbraw/zinc/92/36/88/928923688.db2.gz JMTCSROVVKXOLO-UHFFFAOYSA-N 1 2 274.299 0.366 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001427980134 929153753 /nfs/dbraw/zinc/15/37/53/929153753.db2.gz DKCNNRADWZLRQR-GXSJLCMTSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cnc(C#N)c(C#N)n2)CCO1 ZINC001363726482 929522036 /nfs/dbraw/zinc/52/20/36/929522036.db2.gz GRMXFFHYFJODNA-SNVBAGLBSA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cnc(C#N)c(C#N)n2)CCO1 ZINC001363726482 929522043 /nfs/dbraw/zinc/52/20/43/929522043.db2.gz GRMXFFHYFJODNA-SNVBAGLBSA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001443520009 929634635 /nfs/dbraw/zinc/63/46/35/929634635.db2.gz OSTDRIGZLJUFTC-DCAQKATOSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001443989360 929761616 /nfs/dbraw/zinc/76/16/16/929761616.db2.gz FZSZMWBDTKSTOV-QWRGUYRKSA-N 1 2 277.328 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(C)=O ZINC001372495755 929856885 /nfs/dbraw/zinc/85/68/85/929856885.db2.gz XBBLMGVDKXHGMW-PWSUYJOCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(C)=O ZINC001372495755 929856896 /nfs/dbraw/zinc/85/68/96/929856896.db2.gz XBBLMGVDKXHGMW-PWSUYJOCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)CN1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001444482157 929878934 /nfs/dbraw/zinc/87/89/34/929878934.db2.gz PEBQAOOCHGBWMG-LBPRGKRZSA-N 1 2 298.774 0.453 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cn(CC)nn1 ZINC001372685486 929913136 /nfs/dbraw/zinc/91/31/36/929913136.db2.gz WCAZHWJNZDIOTB-LBPRGKRZSA-N 1 2 292.387 0.786 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cn(CC)nn1 ZINC001372685486 929913138 /nfs/dbraw/zinc/91/31/38/929913138.db2.gz WCAZHWJNZDIOTB-LBPRGKRZSA-N 1 2 292.387 0.786 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001372928840 930020827 /nfs/dbraw/zinc/02/08/27/930020827.db2.gz YZAVWONRONSUMJ-ZJUUUORDSA-N 1 2 295.343 0.485 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001373588150 930256706 /nfs/dbraw/zinc/25/67/06/930256706.db2.gz NHJSIVFOSLEXCC-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001373588150 930256717 /nfs/dbraw/zinc/25/67/17/930256717.db2.gz NHJSIVFOSLEXCC-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001375213159 930820509 /nfs/dbraw/zinc/82/05/09/930820509.db2.gz HJVWCWAXDAWMES-GZMMTYOYSA-N 1 2 279.369 0.682 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001448346194 930877290 /nfs/dbraw/zinc/87/72/90/930877290.db2.gz TVHVYHMVYOCUES-CMPLNLGQSA-N 1 2 299.802 0.844 20 30 CCEDLO C#CCC[NH+]1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000091480621 349463824 /nfs/dbraw/zinc/46/38/24/349463824.db2.gz QOWHFILTEWEUIG-UHFFFAOYSA-N 1 2 256.313 0.498 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCOCCC#N)C1 ZINC000599580938 361751769 /nfs/dbraw/zinc/75/17/69/361751769.db2.gz JXKZJTAAWROVOJ-NEPJUHHUSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOCCC#N)C1 ZINC000599580938 361751775 /nfs/dbraw/zinc/75/17/75/361751775.db2.gz JXKZJTAAWROVOJ-NEPJUHHUSA-N 1 2 298.339 0.343 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599693981 361789585 /nfs/dbraw/zinc/78/95/85/361789585.db2.gz QMBCPTODSZEUQD-OLZOCXBDSA-N 1 2 298.412 0.691 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599693981 361789587 /nfs/dbraw/zinc/78/95/87/361789587.db2.gz QMBCPTODSZEUQD-OLZOCXBDSA-N 1 2 298.412 0.691 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094134086 349561359 /nfs/dbraw/zinc/56/13/59/349561359.db2.gz KQEKBJQYVBLPQI-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)o1 ZINC000600185718 361884757 /nfs/dbraw/zinc/88/47/57/361884757.db2.gz VLTMTMVMZKWWNP-UHFFFAOYSA-N 1 2 270.296 0.658 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600235352 361899488 /nfs/dbraw/zinc/89/94/88/361899488.db2.gz YFSSBXKQNOVTPN-SWLSCSKDSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600235352 361899494 /nfs/dbraw/zinc/89/94/94/361899494.db2.gz YFSSBXKQNOVTPN-SWLSCSKDSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000451251570 529393138 /nfs/dbraw/zinc/39/31/38/529393138.db2.gz ZEULIOWEGXFRHP-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000451251570 529393140 /nfs/dbraw/zinc/39/31/40/529393140.db2.gz ZEULIOWEGXFRHP-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)ncc1C#N ZINC000600420038 361955511 /nfs/dbraw/zinc/95/55/11/361955511.db2.gz IAMNWYGVDUTRIS-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)ncc1C#N ZINC000600420038 361955515 /nfs/dbraw/zinc/95/55/15/361955515.db2.gz IAMNWYGVDUTRIS-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000600422138 361956600 /nfs/dbraw/zinc/95/66/00/361956600.db2.gz RRRAIFRKRMIMMQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000600422138 361956602 /nfs/dbraw/zinc/95/66/02/361956602.db2.gz RRRAIFRKRMIMMQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO CN(C)c1ccc(CNS(=O)(=O)CCCC#N)c[nH+]1 ZINC000348152749 529782111 /nfs/dbraw/zinc/78/21/11/529782111.db2.gz SSNYRERSUODHAF-UHFFFAOYSA-N 1 2 282.369 0.871 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330268423 529819611 /nfs/dbraw/zinc/81/96/11/529819611.db2.gz IPZJVGXACCNBJF-JTQLQIEISA-N 1 2 275.374 0.071 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330268423 529819613 /nfs/dbraw/zinc/81/96/13/529819613.db2.gz IPZJVGXACCNBJF-JTQLQIEISA-N 1 2 275.374 0.071 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000116275517 349866670 /nfs/dbraw/zinc/86/66/70/349866670.db2.gz QQFQXEGAZBRZBO-OAHLLOKOSA-N 1 2 284.363 0.911 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601525922 362300518 /nfs/dbraw/zinc/30/05/18/362300518.db2.gz HLDAQNJHYPTYNK-LLVKDONJSA-N 1 2 299.400 0.544 20 30 CCEDLO C=CCCSCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601530080 362301974 /nfs/dbraw/zinc/30/19/74/362301974.db2.gz SSJYUOFRZHHODE-UHFFFAOYSA-N 1 2 296.396 0.794 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888038 362417432 /nfs/dbraw/zinc/41/74/32/362417432.db2.gz OBKGMGPOWZCGMR-UHFFFAOYSA-N 1 2 259.313 0.077 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602091671 362482023 /nfs/dbraw/zinc/48/20/23/362482023.db2.gz MSWMJARYVCGTGN-GHMZBOCLSA-N 1 2 262.313 0.902 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602091671 362482026 /nfs/dbraw/zinc/48/20/26/362482026.db2.gz MSWMJARYVCGTGN-GHMZBOCLSA-N 1 2 262.313 0.902 20 30 CCEDLO N#C[C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CCO1 ZINC000408078102 260217355 /nfs/dbraw/zinc/21/73/55/260217355.db2.gz AEAACLAPOYZPHX-LLVKDONJSA-N 1 2 287.310 0.714 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000602167633 362538504 /nfs/dbraw/zinc/53/85/04/362538504.db2.gz PHPAGOQZGNEREN-JTQLQIEISA-N 1 2 269.308 0.838 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000602202994 362555682 /nfs/dbraw/zinc/55/56/82/362555682.db2.gz OKQHHBMSZTZKDG-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602466804 362632470 /nfs/dbraw/zinc/63/24/70/362632470.db2.gz DDDGASYEQTZJOE-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO C[C@@H](C(=O)N1CCSC[C@H]1C#N)[NH+]1CCSCC1 ZINC000335959754 295743367 /nfs/dbraw/zinc/74/33/67/295743367.db2.gz YTKCXVMDCMCCLS-WDEREUQCSA-N 1 2 285.438 0.891 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)[nH]1 ZINC000602747856 362780276 /nfs/dbraw/zinc/78/02/76/362780276.db2.gz GSKCGRQNERNRHV-UHFFFAOYSA-N 1 2 276.340 0.833 20 30 CCEDLO COc1cncc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602850125 362838054 /nfs/dbraw/zinc/83/80/54/362838054.db2.gz OVZQJOBQOAVFGP-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO COc1cncc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602850125 362838059 /nfs/dbraw/zinc/83/80/59/362838059.db2.gz OVZQJOBQOAVFGP-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO COc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)nn1 ZINC000602847364 362834559 /nfs/dbraw/zinc/83/45/59/362834559.db2.gz APZYVBKPMLISRK-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO COc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)nn1 ZINC000602847364 362834561 /nfs/dbraw/zinc/83/45/61/362834561.db2.gz APZYVBKPMLISRK-TXEJJXNPSA-N 1 2 275.356 0.903 20 30 CCEDLO Cc1cc(NCCN2CCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000405466153 232755548 /nfs/dbraw/zinc/75/55/48/232755548.db2.gz BRPHODVUASGSCC-UHFFFAOYSA-N 1 2 280.353 0.131 20 30 CCEDLO N#Cc1ccc(N2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000342916089 137103788 /nfs/dbraw/zinc/10/37/88/137103788.db2.gz AYELTHSVXQMBGW-GFCCVEGCSA-N 1 2 281.275 0.949 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000027566783 348100185 /nfs/dbraw/zinc/10/01/85/348100185.db2.gz QCIWHGKSLZWGRZ-WFASDCNBSA-N 1 2 292.383 0.347 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000027566783 348100189 /nfs/dbraw/zinc/10/01/89/348100189.db2.gz QCIWHGKSLZWGRZ-WFASDCNBSA-N 1 2 292.383 0.347 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000027642380 348101144 /nfs/dbraw/zinc/10/11/44/348101144.db2.gz RUQRVOBOVZYNFS-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000027642380 348101149 /nfs/dbraw/zinc/10/11/49/348101149.db2.gz RUQRVOBOVZYNFS-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](CCO)CC1 ZINC000035107167 348156359 /nfs/dbraw/zinc/15/63/59/348156359.db2.gz XSXOCCIJQWXDFR-UHFFFAOYSA-N 1 2 289.335 0.074 20 30 CCEDLO N#CCC1(C[NH+]2CCN(CC(F)(F)CO)CC2)CC1 ZINC000602869665 362852530 /nfs/dbraw/zinc/85/25/30/362852530.db2.gz NQPLTDMOXHTFMY-UHFFFAOYSA-N 1 2 273.327 0.925 20 30 CCEDLO N#Cc1ccc(OCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000042315374 348274293 /nfs/dbraw/zinc/27/42/93/348274293.db2.gz XGCAJIAMHXIKTI-UHFFFAOYSA-N 1 2 270.292 0.950 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898266 362873161 /nfs/dbraw/zinc/87/31/61/362873161.db2.gz QGZRXVJJFHVXPP-ZFWWWQNUSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898266 362873165 /nfs/dbraw/zinc/87/31/65/362873165.db2.gz QGZRXVJJFHVXPP-ZFWWWQNUSA-N 1 2 292.335 0.603 20 30 CCEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)[C@H](CO)C1 ZINC000602906569 362878930 /nfs/dbraw/zinc/87/89/30/362878930.db2.gz XDGVMPYGDCRWQZ-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H](CO)C1 ZINC000602906569 362878933 /nfs/dbraw/zinc/87/89/33/362878933.db2.gz XDGVMPYGDCRWQZ-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000602935883 362896648 /nfs/dbraw/zinc/89/66/48/362896648.db2.gz AXACVLNNWOMDSW-AWEZNQCLSA-N 1 2 275.356 0.958 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000602935883 362896653 /nfs/dbraw/zinc/89/66/53/362896653.db2.gz AXACVLNNWOMDSW-AWEZNQCLSA-N 1 2 275.356 0.958 20 30 CCEDLO CCOCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977574 362918101 /nfs/dbraw/zinc/91/81/01/362918101.db2.gz DCNGJDQMYYZFBZ-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977574 362918105 /nfs/dbraw/zinc/91/81/05/362918105.db2.gz DCNGJDQMYYZFBZ-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000052826353 348515175 /nfs/dbraw/zinc/51/51/75/348515175.db2.gz OTGBDKCSNBSBDQ-OAHLLOKOSA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000052826353 348515176 /nfs/dbraw/zinc/51/51/76/348515176.db2.gz OTGBDKCSNBSBDQ-OAHLLOKOSA-N 1 2 292.383 0.525 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000062255593 348666941 /nfs/dbraw/zinc/66/69/41/348666941.db2.gz FKAGITVRSPNITC-UHFFFAOYSA-N 1 2 288.332 0.959 20 30 CCEDLO N#CCc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000058242637 348623228 /nfs/dbraw/zinc/62/32/28/348623228.db2.gz QCHNCQIHERWWDR-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329021679 282976388 /nfs/dbraw/zinc/97/63/88/282976388.db2.gz IDCWVDYSFMMGEG-GHMZBOCLSA-N 1 2 264.329 0.485 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000070791964 348897468 /nfs/dbraw/zinc/89/74/68/348897468.db2.gz LGASVJSMMPNOHI-UHFFFAOYSA-N 1 2 272.352 0.768 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072679843 348927615 /nfs/dbraw/zinc/92/76/15/348927615.db2.gz CFQRXWZTLIOHDE-CHWSQXEVSA-N 1 2 265.357 0.717 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC000351489849 137428098 /nfs/dbraw/zinc/42/80/98/137428098.db2.gz ZXNRFMGSCRBFCH-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCOc1ccc(F)cc1 ZINC000076185632 349072775 /nfs/dbraw/zinc/07/27/75/349072775.db2.gz ITDNDVAUMYIPMJ-UHFFFAOYSA-N 1 2 288.322 0.889 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(COC)on2)CC1 ZINC000079869943 349191984 /nfs/dbraw/zinc/19/19/84/349191984.db2.gz KZYCXCLYVDRVKG-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079312130 349173123 /nfs/dbraw/zinc/17/31/23/349173123.db2.gz GTEXBVWWVAHHIQ-RYUDHWBXSA-N 1 2 268.361 0.508 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000080941431 349234846 /nfs/dbraw/zinc/23/48/46/349234846.db2.gz RPVKNASZPZDVNF-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000081344032 349259173 /nfs/dbraw/zinc/25/91/73/349259173.db2.gz RVZHLPVJZMNGEY-LBPRGKRZSA-N 1 2 263.272 0.966 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000081344032 349259175 /nfs/dbraw/zinc/25/91/75/349259175.db2.gz RVZHLPVJZMNGEY-LBPRGKRZSA-N 1 2 263.272 0.966 20 30 CCEDLO CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000129369676 350212150 /nfs/dbraw/zinc/21/21/50/350212150.db2.gz FYYKDBOCASXTTE-UHFFFAOYSA-N 1 2 290.367 0.747 20 30 CCEDLO CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000129369676 350212152 /nfs/dbraw/zinc/21/21/52/350212152.db2.gz FYYKDBOCASXTTE-UHFFFAOYSA-N 1 2 290.367 0.747 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091752905 180246223 /nfs/dbraw/zinc/24/62/23/180246223.db2.gz IHXRLOVRJVUAOE-CYBMUJFWSA-N 1 2 256.309 0.768 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091752905 180246225 /nfs/dbraw/zinc/24/62/25/180246225.db2.gz IHXRLOVRJVUAOE-CYBMUJFWSA-N 1 2 256.309 0.768 20 30 CCEDLO C[C@H](C(=O)N[C@]1(C#N)CCSC1)[NH+]1CCSCC1 ZINC000131637149 350281214 /nfs/dbraw/zinc/28/12/14/350281214.db2.gz WUZPUXUYAPMEQP-PWSUYJOCSA-N 1 2 285.438 0.939 20 30 CCEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)CC#N)CC1 ZINC000132234675 350301638 /nfs/dbraw/zinc/30/16/38/350301638.db2.gz SVPDCVSXMZZITM-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000161557021 350724980 /nfs/dbraw/zinc/72/49/80/350724980.db2.gz WQKPHMXDNMHHMG-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)o1 ZINC000339769265 215332594 /nfs/dbraw/zinc/33/25/94/215332594.db2.gz LSYFXUGKVFSSAV-UHFFFAOYSA-N 1 2 263.297 0.555 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC)CCC#N)nn1 ZINC000603207604 362999857 /nfs/dbraw/zinc/99/98/57/362999857.db2.gz AWFZVTPYTUKVLU-UHFFFAOYSA-N 1 2 288.355 0.153 20 30 CCEDLO N#CC1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC1 ZINC000603227352 363011445 /nfs/dbraw/zinc/01/14/45/363011445.db2.gz OLYXWPVQSUMMRH-UHFFFAOYSA-N 1 2 261.329 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000175803329 351144262 /nfs/dbraw/zinc/14/42/62/351144262.db2.gz KRXHVFUCKRIHTQ-VXGBXAGGSA-N 1 2 294.424 0.233 20 30 CCEDLO N#Cc1ccsc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178602930 351236554 /nfs/dbraw/zinc/23/65/54/351236554.db2.gz KAVKSHFBGMIZQA-LLVKDONJSA-N 1 2 276.365 0.349 20 30 CCEDLO C=CCSCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603276226 363040634 /nfs/dbraw/zinc/04/06/34/363040634.db2.gz KFMFFAJCLLARCV-UHFFFAOYSA-N 1 2 275.399 0.722 20 30 CCEDLO N#CCC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603312694 363061280 /nfs/dbraw/zinc/06/12/80/363061280.db2.gz SPJXQYCEKZLYMZ-UHFFFAOYSA-N 1 2 282.369 0.839 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCOCC1 ZINC000491454066 332214830 /nfs/dbraw/zinc/21/48/30/332214830.db2.gz VQPOMINAZVJYTJ-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO CS(=O)(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292081203 198155616 /nfs/dbraw/zinc/15/56/16/198155616.db2.gz DOIBVCTZGXOYFG-GFCCVEGCSA-N 1 2 295.364 0.451 20 30 CCEDLO CS(=O)(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292081203 198155618 /nfs/dbraw/zinc/15/56/18/198155618.db2.gz DOIBVCTZGXOYFG-GFCCVEGCSA-N 1 2 295.364 0.451 20 30 CCEDLO N#Cc1cnc(NC[C@@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000265135112 352621145 /nfs/dbraw/zinc/62/11/45/352621145.db2.gz OFJLMBIKGVYKEF-LLVKDONJSA-N 1 2 296.758 0.712 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000270244872 352914683 /nfs/dbraw/zinc/91/46/83/352914683.db2.gz OJMLCUANDBBEPE-UHFFFAOYSA-N 1 2 293.323 0.738 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(N)=O ZINC000282114596 353394499 /nfs/dbraw/zinc/39/44/99/353394499.db2.gz AJRNDZCOWXGBEW-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(N)=O ZINC000282114596 353394501 /nfs/dbraw/zinc/39/45/01/353394501.db2.gz AJRNDZCOWXGBEW-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000158601077 188384304 /nfs/dbraw/zinc/38/43/04/188384304.db2.gz BEHQMMFKBTVERM-JSGCOSHPSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000158601077 188384306 /nfs/dbraw/zinc/38/43/06/188384306.db2.gz BEHQMMFKBTVERM-JSGCOSHPSA-N 1 2 290.319 0.545 20 30 CCEDLO C[C@@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290264469 353718225 /nfs/dbraw/zinc/71/82/25/353718225.db2.gz KYRTYGMQYLIDAC-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO C[C@@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290264469 353718226 /nfs/dbraw/zinc/71/82/26/353718226.db2.gz KYRTYGMQYLIDAC-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000294207547 353878876 /nfs/dbraw/zinc/87/88/76/353878876.db2.gz CFTQMOLNJGVFLG-NSHDSACASA-N 1 2 261.325 0.802 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000294207545 353878965 /nfs/dbraw/zinc/87/89/65/353878965.db2.gz CFTQMOLNJGVFLG-LLVKDONJSA-N 1 2 261.325 0.802 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189177 353935933 /nfs/dbraw/zinc/93/59/33/353935933.db2.gz MDQPZQUMOSDSQD-GXFFZTMASA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189177 353935938 /nfs/dbraw/zinc/93/59/38/353935938.db2.gz MDQPZQUMOSDSQD-GXFFZTMASA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209319 353936839 /nfs/dbraw/zinc/93/68/39/353936839.db2.gz NGZPGARUXVGEKA-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209319 353936841 /nfs/dbraw/zinc/93/68/41/353936841.db2.gz NGZPGARUXVGEKA-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1=O ZINC000329138744 354252745 /nfs/dbraw/zinc/25/27/45/354252745.db2.gz ILEWSHQXOHAYAP-SNVBAGLBSA-N 1 2 272.308 0.971 20 30 CCEDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1=O ZINC000329138744 354252747 /nfs/dbraw/zinc/25/27/47/354252747.db2.gz ILEWSHQXOHAYAP-SNVBAGLBSA-N 1 2 272.308 0.971 20 30 CCEDLO CS(=O)(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330820636 354427545 /nfs/dbraw/zinc/42/75/45/354427545.db2.gz FPWAANKCZGGJRY-UHFFFAOYSA-N 1 2 293.392 0.830 20 30 CCEDLO CCn1nccc1C[N@@H+](CC#CCOC)CCO ZINC000684621550 545717599 /nfs/dbraw/zinc/71/75/99/545717599.db2.gz WTZPKQUNWXDARU-UHFFFAOYSA-N 1 2 251.330 0.347 20 30 CCEDLO CCn1nccc1C[N@H+](CC#CCOC)CCO ZINC000684621550 545717601 /nfs/dbraw/zinc/71/76/01/545717601.db2.gz WTZPKQUNWXDARU-UHFFFAOYSA-N 1 2 251.330 0.347 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000172019654 188776230 /nfs/dbraw/zinc/77/62/30/188776230.db2.gz WBCSMUYVZSSUBX-CYBMUJFWSA-N 1 2 285.351 0.306 20 30 CCEDLO CC(C)[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000338882777 355444463 /nfs/dbraw/zinc/44/44/63/355444463.db2.gz ITAPFIWTWHKUCU-GXSJLCMTSA-N 1 2 287.327 0.947 20 30 CCEDLO Cc1cc(NCCCCn2cc(C(N)=O)nn2)c(C#N)c[nH+]1 ZINC000425273188 235280084 /nfs/dbraw/zinc/28/00/84/235280084.db2.gz XYOZZUNKXCDECD-UHFFFAOYSA-N 1 2 299.338 0.266 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000558699375 291068566 /nfs/dbraw/zinc/06/85/66/291068566.db2.gz PZNDNMPEFKNURE-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000558699375 291068569 /nfs/dbraw/zinc/06/85/69/291068569.db2.gz PZNDNMPEFKNURE-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000348383376 355922559 /nfs/dbraw/zinc/92/25/59/355922559.db2.gz IJJYVSUVERRUKL-ZDUSSCGKSA-N 1 2 295.302 0.944 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000348383376 355922562 /nfs/dbraw/zinc/92/25/62/355922562.db2.gz IJJYVSUVERRUKL-ZDUSSCGKSA-N 1 2 295.302 0.944 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000352634653 356036630 /nfs/dbraw/zinc/03/66/30/356036630.db2.gz CHTKOUSWMAJAJZ-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000352634653 356036633 /nfs/dbraw/zinc/03/66/33/356036633.db2.gz CHTKOUSWMAJAJZ-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)NCCF ZINC000352910649 356109371 /nfs/dbraw/zinc/10/93/71/356109371.db2.gz YNJYICVORFPMQY-SSDOTTSWSA-N 1 2 256.306 0.579 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000273606798 192228411 /nfs/dbraw/zinc/22/84/11/192228411.db2.gz OLECBDRCIIPIMV-UHFFFAOYSA-N 1 2 293.392 0.598 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355108784 356579901 /nfs/dbraw/zinc/57/99/01/356579901.db2.gz SYIKBWZNLATTOB-LBPRGKRZSA-N 1 2 287.367 0.552 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647494 366311255 /nfs/dbraw/zinc/31/12/55/366311255.db2.gz VVINLTSTFCIKKQ-BXUZGUMPSA-N 1 2 290.342 0.882 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000619719905 366340115 /nfs/dbraw/zinc/34/01/15/366340115.db2.gz MDKASGPJUMJHMZ-NEPJUHHUSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000619719905 366340116 /nfs/dbraw/zinc/34/01/16/366340116.db2.gz MDKASGPJUMJHMZ-NEPJUHHUSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000619721412 366340574 /nfs/dbraw/zinc/34/05/74/366340574.db2.gz DDMIUUPKJFFSBR-GFCCVEGCSA-N 1 2 269.341 0.986 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000619721412 366340583 /nfs/dbraw/zinc/34/05/83/366340583.db2.gz DDMIUUPKJFFSBR-GFCCVEGCSA-N 1 2 269.341 0.986 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000619715967 366332823 /nfs/dbraw/zinc/33/28/23/366332823.db2.gz DYRDOSZNAKQLKU-CHWSQXEVSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000619715967 366332829 /nfs/dbraw/zinc/33/28/29/366332829.db2.gz DYRDOSZNAKQLKU-CHWSQXEVSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccccn2)CC1 ZINC000619715932 366333181 /nfs/dbraw/zinc/33/31/81/366333181.db2.gz BNQRHOIZCVVILC-AWEZNQCLSA-N 1 2 275.352 0.927 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCOC)CC1 ZINC000619717956 366336636 /nfs/dbraw/zinc/33/66/36/366336636.db2.gz CFABXIKKMQRWNO-LBPRGKRZSA-N 1 2 257.330 0.841 20 30 CCEDLO COC(=O)[C@H](O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356107814 356704353 /nfs/dbraw/zinc/70/43/53/356704353.db2.gz DUPQZIXTHWKSRM-GFCCVEGCSA-N 1 2 295.364 0.761 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000619722598 366344272 /nfs/dbraw/zinc/34/42/72/366344272.db2.gz XCZPJHCSCMUQKH-JHJVBQTASA-N 1 2 287.356 0.060 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000619722598 366344282 /nfs/dbraw/zinc/34/42/82/366344282.db2.gz XCZPJHCSCMUQKH-JHJVBQTASA-N 1 2 287.356 0.060 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1F ZINC000365279894 357139756 /nfs/dbraw/zinc/13/97/56/357139756.db2.gz ZOXHNZPLXATLLW-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1F ZINC000365279894 357139760 /nfs/dbraw/zinc/13/97/60/357139760.db2.gz ZOXHNZPLXATLLW-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000377034674 357529645 /nfs/dbraw/zinc/52/96/45/357529645.db2.gz ZVVCJPIPUYQNMQ-NSHDSACASA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000377034674 357529649 /nfs/dbraw/zinc/52/96/49/357529649.db2.gz ZVVCJPIPUYQNMQ-NSHDSACASA-N 1 2 285.394 0.873 20 30 CCEDLO Cn1nnnc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000377495581 357579776 /nfs/dbraw/zinc/57/97/76/357579776.db2.gz KSNQITYJMJMTKO-UHFFFAOYSA-N 1 2 297.366 0.794 20 30 CCEDLO Cn1nnnc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000377495581 357579782 /nfs/dbraw/zinc/57/97/82/357579782.db2.gz KSNQITYJMJMTKO-UHFFFAOYSA-N 1 2 297.366 0.794 20 30 CCEDLO Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000400199467 357790203 /nfs/dbraw/zinc/79/02/03/357790203.db2.gz NSGKEGLRRLTUCG-GFCCVEGCSA-N 1 2 294.380 0.520 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000294505448 199066070 /nfs/dbraw/zinc/06/60/70/199066070.db2.gz SYSOYVAWVAGSMT-UHFFFAOYSA-N 1 2 297.355 0.775 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454322635 236290743 /nfs/dbraw/zinc/29/07/43/236290743.db2.gz OHMCMYWGXQUNRJ-BETUJISGSA-N 1 2 288.351 0.490 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454322635 236290747 /nfs/dbraw/zinc/29/07/47/236290747.db2.gz OHMCMYWGXQUNRJ-BETUJISGSA-N 1 2 288.351 0.490 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3cncc(C#N)n3)CC2)on1 ZINC000567751847 358581911 /nfs/dbraw/zinc/58/19/11/358581911.db2.gz PMZQCZYGUMILEM-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO CCC[N@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000567887629 358606144 /nfs/dbraw/zinc/60/61/44/358606144.db2.gz OTBBPZFUYVZJNJ-UHFFFAOYSA-N 1 2 272.312 0.298 20 30 CCEDLO CCC[N@@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000567887629 358606149 /nfs/dbraw/zinc/60/61/49/358606149.db2.gz OTBBPZFUYVZJNJ-UHFFFAOYSA-N 1 2 272.312 0.298 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000573058450 358933911 /nfs/dbraw/zinc/93/39/11/358933911.db2.gz QQVNTEBBDAWMOA-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000573058450 358933916 /nfs/dbraw/zinc/93/39/16/358933916.db2.gz QQVNTEBBDAWMOA-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO CC(C)CN1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579844971 359054216 /nfs/dbraw/zinc/05/42/16/359054216.db2.gz SJESFDWCEVOBOD-SWLSCSKDSA-N 1 2 294.399 0.451 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000610900049 363630461 /nfs/dbraw/zinc/63/04/61/363630461.db2.gz FQZGOXOHHMYTNA-VXGBXAGGSA-N 1 2 250.346 0.041 20 30 CCEDLO N#Cc1cc(CN2CC[NH+](CC(=O)NC3CC3)CC2)ccn1 ZINC000610991427 363644230 /nfs/dbraw/zinc/64/42/30/363644230.db2.gz MGHBWCJFDOVNQW-UHFFFAOYSA-N 1 2 299.378 0.349 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991715 363644263 /nfs/dbraw/zinc/64/42/63/363644263.db2.gz NUVRRAWIBRGDAY-UHFFFAOYSA-N 1 2 287.367 0.159 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590153412 359426520 /nfs/dbraw/zinc/42/65/20/359426520.db2.gz ICGNHWMNCYSXDC-VXGBXAGGSA-N 1 2 286.401 0.103 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590215709 359430266 /nfs/dbraw/zinc/43/02/66/359430266.db2.gz HYUFRJUUEWSTQZ-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590215709 359430270 /nfs/dbraw/zinc/43/02/70/359430270.db2.gz HYUFRJUUEWSTQZ-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000589521017 359389479 /nfs/dbraw/zinc/38/94/79/359389479.db2.gz CKYGRPUEORAYJJ-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO N#Cc1cccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000589623857 359393362 /nfs/dbraw/zinc/39/33/62/359393362.db2.gz BBZRSYNSYJDPMG-UHFFFAOYSA-N 1 2 253.265 0.806 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590410433 359453961 /nfs/dbraw/zinc/45/39/61/359453961.db2.gz ONDAQGFALFCACN-HNNXBMFYSA-N 1 2 285.347 0.749 20 30 CCEDLO N#Cc1cscc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000590313780 359438341 /nfs/dbraw/zinc/43/83/41/359438341.db2.gz SNANDNHZZGBRLG-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO N#Cc1cscc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000590313780 359438347 /nfs/dbraw/zinc/43/83/47/359438347.db2.gz SNANDNHZZGBRLG-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3cncc(C#N)n3)CC2)cn1 ZINC000563038892 291183807 /nfs/dbraw/zinc/18/38/07/291183807.db2.gz OECKWAWQTKOUSF-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000592105014 359756204 /nfs/dbraw/zinc/75/62/04/359756204.db2.gz ZMQKLHGNJHEIIB-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000592105014 359756209 /nfs/dbraw/zinc/75/62/09/359756209.db2.gz ZMQKLHGNJHEIIB-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055695 359743916 /nfs/dbraw/zinc/74/39/16/359743916.db2.gz PRKQTLORHXGKDT-UHFFFAOYSA-N 1 2 287.367 0.207 20 30 CCEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H](O)CN1CCOCC1 ZINC000592071730 359745857 /nfs/dbraw/zinc/74/58/57/359745857.db2.gz OKEITVWLDYUDLR-HNNXBMFYSA-N 1 2 290.367 0.078 20 30 CCEDLO C[N@H+](Cc1ccncc1C#N)C[C@H](O)CN1CCOCC1 ZINC000592071730 359745861 /nfs/dbraw/zinc/74/58/61/359745861.db2.gz OKEITVWLDYUDLR-HNNXBMFYSA-N 1 2 290.367 0.078 20 30 CCEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H](O)CN1CCOCC1 ZINC000592071731 359745952 /nfs/dbraw/zinc/74/59/52/359745952.db2.gz OKEITVWLDYUDLR-OAHLLOKOSA-N 1 2 290.367 0.078 20 30 CCEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H](O)CN1CCOCC1 ZINC000592071731 359745957 /nfs/dbraw/zinc/74/59/57/359745957.db2.gz OKEITVWLDYUDLR-OAHLLOKOSA-N 1 2 290.367 0.078 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592070162 359746395 /nfs/dbraw/zinc/74/63/95/359746395.db2.gz HFHOZQRKVWXRAN-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO COC(=O)[C@@H]([N@@H+]1CC[C@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155068 359771516 /nfs/dbraw/zinc/77/15/16/359771516.db2.gz XFVJTNDZXUZDJO-DGCLKSJQSA-N 1 2 282.340 0.448 20 30 CCEDLO COC(=O)[C@@H]([N@H+]1CC[C@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155068 359771519 /nfs/dbraw/zinc/77/15/19/359771519.db2.gz XFVJTNDZXUZDJO-DGCLKSJQSA-N 1 2 282.340 0.448 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155265 359771558 /nfs/dbraw/zinc/77/15/58/359771558.db2.gz ZGTLGQUYVNPZKM-RISCZKNCSA-N 1 2 276.340 0.288 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155265 359771561 /nfs/dbraw/zinc/77/15/61/359771561.db2.gz ZGTLGQUYVNPZKM-RISCZKNCSA-N 1 2 276.340 0.288 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147203 359765558 /nfs/dbraw/zinc/76/55/58/359765558.db2.gz JINANVUQYZCLLP-ZIAGYGMSSA-N 1 2 278.356 0.391 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147203 359765562 /nfs/dbraw/zinc/76/55/62/359765562.db2.gz JINANVUQYZCLLP-ZIAGYGMSSA-N 1 2 278.356 0.391 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000592147244 359765635 /nfs/dbraw/zinc/76/56/35/359765635.db2.gz KGTCBYGYGNYBTO-HNNXBMFYSA-N 1 2 291.326 0.792 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000592147244 359765636 /nfs/dbraw/zinc/76/56/36/359765636.db2.gz KGTCBYGYGNYBTO-HNNXBMFYSA-N 1 2 291.326 0.792 20 30 CCEDLO Cn1c(C[N@@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc2c1=O ZINC000592149150 359767043 /nfs/dbraw/zinc/76/70/43/359767043.db2.gz JQLJNOVXQFLNDL-INIZCTEOSA-N 1 2 298.346 0.784 20 30 CCEDLO Cn1c(C[N@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc2c1=O ZINC000592149150 359767047 /nfs/dbraw/zinc/76/70/47/359767047.db2.gz JQLJNOVXQFLNDL-INIZCTEOSA-N 1 2 298.346 0.784 20 30 CCEDLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148134 359767723 /nfs/dbraw/zinc/76/77/23/359767723.db2.gz RFKARHJJNADGCQ-AWEZNQCLSA-N 1 2 277.324 0.588 20 30 CCEDLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148134 359767725 /nfs/dbraw/zinc/76/77/25/359767725.db2.gz RFKARHJJNADGCQ-AWEZNQCLSA-N 1 2 277.324 0.588 20 30 CCEDLO CN(CC1CC1)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173584 363670658 /nfs/dbraw/zinc/67/06/58/363670658.db2.gz BGBQDYYDTQZIDB-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000593058277 360023281 /nfs/dbraw/zinc/02/32/81/360023281.db2.gz KTVGLPPXHXSALU-VXGBXAGGSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000593058277 360023283 /nfs/dbraw/zinc/02/32/83/360023283.db2.gz KTVGLPPXHXSALU-VXGBXAGGSA-N 1 2 283.372 0.888 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000593453582 360092133 /nfs/dbraw/zinc/09/21/33/360092133.db2.gz ZDTIXVYLLIMDSO-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000593855419 360177670 /nfs/dbraw/zinc/17/76/70/360177670.db2.gz PQFPQNTUTNRFDF-SNVBAGLBSA-N 1 2 277.349 0.511 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)s1 ZINC000593855419 360177675 /nfs/dbraw/zinc/17/76/75/360177675.db2.gz PQFPQNTUTNRFDF-SNVBAGLBSA-N 1 2 277.349 0.511 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CCCCC#N)CCO1 ZINC000594259706 360265905 /nfs/dbraw/zinc/26/59/05/360265905.db2.gz DIGOBLURDMYANJ-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CCCCC#N)CCO1 ZINC000594259706 360265906 /nfs/dbraw/zinc/26/59/06/360265906.db2.gz DIGOBLURDMYANJ-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO Cc1cc(N2CCN(c3nncn3C)CC2)c(C#N)c[nH+]1 ZINC000594594649 360336875 /nfs/dbraw/zinc/33/68/75/360336875.db2.gz PCRWTQHJPKIYSD-UHFFFAOYSA-N 1 2 283.339 0.717 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c[nH]nn1 ZINC000595339409 360500388 /nfs/dbraw/zinc/50/03/88/360500388.db2.gz OIBWSTFCSUSEBQ-LLVKDONJSA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c[nH]nn1 ZINC000595339409 360500392 /nfs/dbraw/zinc/50/03/92/360500392.db2.gz OIBWSTFCSUSEBQ-LLVKDONJSA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595339409 360500396 /nfs/dbraw/zinc/50/03/96/360500396.db2.gz OIBWSTFCSUSEBQ-LLVKDONJSA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1cn[nH]n1 ZINC000595339409 360500399 /nfs/dbraw/zinc/50/03/99/360500399.db2.gz OIBWSTFCSUSEBQ-LLVKDONJSA-N 1 2 298.354 0.220 20 30 CCEDLO COC(=O)[C@@](C)(CO)[NH2+]CCCOc1cccc(C#N)c1 ZINC000595527911 360565127 /nfs/dbraw/zinc/56/51/27/360565127.db2.gz JVKLFDSSKIZQSK-OAHLLOKOSA-N 1 2 292.335 0.841 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595175 360593275 /nfs/dbraw/zinc/59/32/75/360593275.db2.gz DICQOKNPIWXKMK-CYBMUJFWSA-N 1 2 263.345 0.896 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595175 360593279 /nfs/dbraw/zinc/59/32/79/360593279.db2.gz DICQOKNPIWXKMK-CYBMUJFWSA-N 1 2 263.345 0.896 20 30 CCEDLO C[C@@]1(C#N)CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000595844382 360677711 /nfs/dbraw/zinc/67/77/11/360677711.db2.gz SHSGXAYZDPDHDM-NSHDSACASA-N 1 2 257.359 0.257 20 30 CCEDLO C[C@@]1(C#N)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000595844382 360677716 /nfs/dbraw/zinc/67/77/16/360677716.db2.gz SHSGXAYZDPDHDM-NSHDSACASA-N 1 2 257.359 0.257 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595851207 360679236 /nfs/dbraw/zinc/67/92/36/360679236.db2.gz PIZGXWYKRYQCJL-VXGBXAGGSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595851207 360679241 /nfs/dbraw/zinc/67/92/41/360679241.db2.gz PIZGXWYKRYQCJL-VXGBXAGGSA-N 1 2 268.357 0.951 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCC3CC3)CC2)nc1 ZINC000299036527 200588176 /nfs/dbraw/zinc/58/81/76/200588176.db2.gz IYADVKRLWQDTHA-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCC#N)C[C@H]21 ZINC000595789334 360656411 /nfs/dbraw/zinc/65/64/11/360656411.db2.gz LYMGRQVQTFBYKF-AXFHLTTASA-N 1 2 258.343 0.034 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCC#N)C[C@H]21 ZINC000595789334 360656416 /nfs/dbraw/zinc/65/64/16/360656416.db2.gz LYMGRQVQTFBYKF-AXFHLTTASA-N 1 2 258.343 0.034 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834359 360673171 /nfs/dbraw/zinc/67/31/71/360673171.db2.gz KUPHKWQFCISASF-TVQRCGJNSA-N 1 2 264.329 0.599 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834359 360673177 /nfs/dbraw/zinc/67/31/77/360673177.db2.gz KUPHKWQFCISASF-TVQRCGJNSA-N 1 2 264.329 0.599 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834984 360673625 /nfs/dbraw/zinc/67/36/25/360673625.db2.gz ODWXUFZXAZJLQK-ZWNOBZJWSA-N 1 2 266.345 0.845 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834984 360673627 /nfs/dbraw/zinc/67/36/27/360673627.db2.gz ODWXUFZXAZJLQK-ZWNOBZJWSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@H](Nc1c(C#N)cnn1C)[C@H](C)[NH+]1CCOCC1 ZINC000596114973 360800105 /nfs/dbraw/zinc/80/01/05/360800105.db2.gz PPCOWVBDAPUIPD-QWRGUYRKSA-N 1 2 263.345 0.813 20 30 CCEDLO N#Cc1cnnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000596173459 360822021 /nfs/dbraw/zinc/82/20/21/360822021.db2.gz WKCRKLKOCIEQPI-LBPRGKRZSA-N 1 2 266.308 0.856 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cnc(C#N)cn1 ZINC000596426880 360890759 /nfs/dbraw/zinc/89/07/59/360890759.db2.gz CNLNWOMGUHFVOC-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cnc(C#N)cn1 ZINC000596426880 360890763 /nfs/dbraw/zinc/89/07/63/360890763.db2.gz CNLNWOMGUHFVOC-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H](CC#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597021665 360995040 /nfs/dbraw/zinc/99/50/40/360995040.db2.gz NJMLBMLOQNTXMN-CYBMUJFWSA-N 1 2 278.356 0.611 20 30 CCEDLO N#Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ncn1 ZINC000563756927 291249986 /nfs/dbraw/zinc/24/99/86/291249986.db2.gz YVIAZGJTFHCALP-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](C(N)=O)O1 ZINC000180643944 189267700 /nfs/dbraw/zinc/26/77/00/189267700.db2.gz VQKWSJQWOUMRGP-KCJUWKMLSA-N 1 2 265.338 0.694 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](C(N)=O)O1 ZINC000180643944 189267701 /nfs/dbraw/zinc/26/77/01/189267701.db2.gz VQKWSJQWOUMRGP-KCJUWKMLSA-N 1 2 265.338 0.694 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000597741690 361223283 /nfs/dbraw/zinc/22/32/83/361223283.db2.gz PLCCVSOZQZLHEH-ZIAGYGMSSA-N 1 2 291.326 0.791 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000597741690 361223289 /nfs/dbraw/zinc/22/32/89/361223289.db2.gz PLCCVSOZQZLHEH-ZIAGYGMSSA-N 1 2 291.326 0.791 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996937 361305012 /nfs/dbraw/zinc/30/50/12/361305012.db2.gz RRNLAOBRBZQVAN-QJPTWQEYSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996937 361305016 /nfs/dbraw/zinc/30/50/16/361305016.db2.gz RRNLAOBRBZQVAN-QJPTWQEYSA-N 1 2 253.346 0.762 20 30 CCEDLO C=C[C@H](O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611794521 363784337 /nfs/dbraw/zinc/78/43/37/363784337.db2.gz IUDZMPSMWWWYFX-LBPRGKRZSA-N 1 2 259.309 0.848 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617447 361460609 /nfs/dbraw/zinc/46/06/09/361460609.db2.gz RNLRWUQVCVJEGU-QWRGUYRKSA-N 1 2 293.371 0.990 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617447 361460613 /nfs/dbraw/zinc/46/06/13/361460613.db2.gz RNLRWUQVCVJEGU-QWRGUYRKSA-N 1 2 293.371 0.990 20 30 CCEDLO CO[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000598837243 361523865 /nfs/dbraw/zinc/52/38/65/361523865.db2.gz UMMMUPHHZZIMOC-DMDPSCGWSA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000598945682 361536089 /nfs/dbraw/zinc/53/60/89/361536089.db2.gz AVWSLLYZOJOEHT-SNVBAGLBSA-N 1 2 267.292 0.895 20 30 CCEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000599054717 361561870 /nfs/dbraw/zinc/56/18/70/361561870.db2.gz MPOUDHLFCHCWRH-NWDGAFQWSA-N 1 2 295.350 0.973 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000599075013 361565120 /nfs/dbraw/zinc/56/51/20/361565120.db2.gz ZUEBXRADYCQMQJ-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000599075013 361565125 /nfs/dbraw/zinc/56/51/25/361565125.db2.gz ZUEBXRADYCQMQJ-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000612901543 364037825 /nfs/dbraw/zinc/03/78/25/364037825.db2.gz GPFKBWRHCDKGQS-RISCZKNCSA-N 1 2 261.325 0.714 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615546092 365000858 /nfs/dbraw/zinc/00/08/58/365000858.db2.gz FQAPJKREFGUALT-OCCSQVGLSA-N 1 2 297.378 0.269 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1=O ZINC000621991162 366971663 /nfs/dbraw/zinc/97/16/63/366971663.db2.gz IHWJWQWPJFXESH-LLVKDONJSA-N 1 2 290.367 0.933 20 30 CCEDLO C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C(N)=O)C1 ZINC000574205652 335000726 /nfs/dbraw/zinc/00/07/26/335000726.db2.gz GEXIJZMQEOHXKQ-ZWNOBZJWSA-N 1 2 298.350 0.687 20 30 CCEDLO C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C(N)=O)C1 ZINC000574205652 335000727 /nfs/dbraw/zinc/00/07/27/335000727.db2.gz GEXIJZMQEOHXKQ-ZWNOBZJWSA-N 1 2 298.350 0.687 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)nc1 ZINC000574288557 335007411 /nfs/dbraw/zinc/00/74/11/335007411.db2.gz STOBMFFJHVXEDR-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)nc1 ZINC000574288557 335007412 /nfs/dbraw/zinc/00/74/12/335007412.db2.gz STOBMFFJHVXEDR-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000628484635 369276917 /nfs/dbraw/zinc/27/69/17/369276917.db2.gz QZINXUUHDGRTCT-CYBMUJFWSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000628484635 369276923 /nfs/dbraw/zinc/27/69/23/369276923.db2.gz QZINXUUHDGRTCT-CYBMUJFWSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632285650 370961949 /nfs/dbraw/zinc/96/19/49/370961949.db2.gz YLFFWPCJOCWFJR-OLZOCXBDSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632285650 370961955 /nfs/dbraw/zinc/96/19/55/370961955.db2.gz YLFFWPCJOCWFJR-OLZOCXBDSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000632854029 371299791 /nfs/dbraw/zinc/29/97/91/371299791.db2.gz AFVUBNOHZLXKRW-LBPRGKRZSA-N 1 2 268.357 0.152 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn3cccnc3n2)nn1 ZINC000656441780 412795578 /nfs/dbraw/zinc/79/55/78/412795578.db2.gz QIRCUCWCTTUNMR-UHFFFAOYSA-N 1 2 281.323 0.482 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCCC2)nn1 ZINC000656446671 412798154 /nfs/dbraw/zinc/79/81/54/412798154.db2.gz XQONTLRGPFVERD-GFCCVEGCSA-N 1 2 275.356 0.574 20 30 CCEDLO Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000333417785 205304754 /nfs/dbraw/zinc/30/47/54/205304754.db2.gz ILUFZYNUGUDLGB-NSHDSACASA-N 1 2 279.365 0.920 20 30 CCEDLO CC#CCNCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459895 412805486 /nfs/dbraw/zinc/80/54/86/412805486.db2.gz ZWMPQBUGFIBUDJ-UHFFFAOYSA-N 1 2 257.297 0.268 20 30 CCEDLO C=CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637266198 374060546 /nfs/dbraw/zinc/06/05/46/374060546.db2.gz ILMIRIYPSZJUJV-HNNXBMFYSA-N 1 2 297.399 0.478 20 30 CCEDLO C=CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637266198 374060552 /nfs/dbraw/zinc/06/05/52/374060552.db2.gz ILMIRIYPSZJUJV-HNNXBMFYSA-N 1 2 297.399 0.478 20 30 CCEDLO COCC#CC[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640099263 376236246 /nfs/dbraw/zinc/23/62/46/376236246.db2.gz OGAOTFJDVUAGPE-UHFFFAOYSA-N 1 2 274.368 0.287 20 30 CCEDLO C=CCN(CC=C)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640791989 376542110 /nfs/dbraw/zinc/54/21/10/376542110.db2.gz KEEZTXWBOBZORU-UHFFFAOYSA-N 1 2 286.339 0.724 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnsc2Cl)nn1 ZINC000640880189 376594288 /nfs/dbraw/zinc/59/42/88/376594288.db2.gz ZYSDXEWSYJUCRT-UHFFFAOYSA-N 1 2 282.760 0.944 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640884126 376597532 /nfs/dbraw/zinc/59/75/32/376597532.db2.gz VJXFTRDCPXAYQT-LLVKDONJSA-N 1 2 295.412 0.690 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCCC)nn1 ZINC000640902993 376609211 /nfs/dbraw/zinc/60/92/11/376609211.db2.gz CALWQVYHWVIVDQ-GFCCVEGCSA-N 1 2 277.372 0.868 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CC)cc(=O)[nH]2)nn1 ZINC000641146846 376809710 /nfs/dbraw/zinc/80/97/10/376809710.db2.gz RVYJONIWNOMSEH-UHFFFAOYSA-N 1 2 286.339 0.497 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C3CCC3)n2C)nn1 ZINC000641160705 376826541 /nfs/dbraw/zinc/82/65/41/376826541.db2.gz PRTQCJVCTXUPGF-UHFFFAOYSA-N 1 2 299.382 0.835 20 30 CCEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)C[C@H](CO)O1 ZINC000576646899 335230679 /nfs/dbraw/zinc/23/06/79/335230679.db2.gz MRSGVFGMRRRSMJ-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](CO)O1 ZINC000576646899 335230681 /nfs/dbraw/zinc/23/06/81/335230681.db2.gz MRSGVFGMRRRSMJ-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000515189321 249123211 /nfs/dbraw/zinc/12/32/11/249123211.db2.gz JQRUWVTUPHMOLP-GFCCVEGCSA-N 1 2 288.351 0.400 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000515189321 249123213 /nfs/dbraw/zinc/12/32/13/249123213.db2.gz JQRUWVTUPHMOLP-GFCCVEGCSA-N 1 2 288.351 0.400 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000515479560 249136014 /nfs/dbraw/zinc/13/60/14/249136014.db2.gz VLWYMSXJUUCUAG-GMSGAONNSA-N 1 2 250.327 0.629 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000280860482 195005687 /nfs/dbraw/zinc/00/56/87/195005687.db2.gz VUVIMXULRSVGKA-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000280853913 195002891 /nfs/dbraw/zinc/00/28/91/195002891.db2.gz YGNDIXPZJDIBNY-AAEUAGOBSA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000280853913 195002894 /nfs/dbraw/zinc/00/28/94/195002894.db2.gz YGNDIXPZJDIBNY-AAEUAGOBSA-N 1 2 292.335 0.791 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cnn3c2CCC3)nn1 ZINC000657496705 413008568 /nfs/dbraw/zinc/00/85/68/413008568.db2.gz WHFHLPUSYRHPQN-UHFFFAOYSA-N 1 2 258.329 0.897 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cocn1 ZINC000191056056 262188919 /nfs/dbraw/zinc/18/89/19/262188919.db2.gz RRKZGIZPQPVMDI-UHFFFAOYSA-N 1 2 264.329 0.722 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000116940503 260008766 /nfs/dbraw/zinc/00/87/66/260008766.db2.gz BWRAECCLUZRHEP-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283555675 388766283 /nfs/dbraw/zinc/76/62/83/388766283.db2.gz LPNOROUGNOAAQC-UHFFFAOYSA-N 1 2 294.355 0.098 20 30 CCEDLO C(#CC[N@@H+]1CCc2n[nH]cc2C1)CN1CCc2n[nH]cc2C1 ZINC000283991290 388772584 /nfs/dbraw/zinc/77/25/84/388772584.db2.gz GGUZYXXOBLSMAP-UHFFFAOYSA-N 1 2 296.378 0.553 20 30 CCEDLO C(#CC[N@H+]1CCc2n[nH]cc2C1)CN1CCc2n[nH]cc2C1 ZINC000283991290 388772588 /nfs/dbraw/zinc/77/25/88/388772588.db2.gz GGUZYXXOBLSMAP-UHFFFAOYSA-N 1 2 296.378 0.553 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133785 388787456 /nfs/dbraw/zinc/78/74/56/388787456.db2.gz KHEZVSYFBDQTAL-DZGCQCFKSA-N 1 2 295.383 0.486 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133785 388787457 /nfs/dbraw/zinc/78/74/57/388787457.db2.gz KHEZVSYFBDQTAL-DZGCQCFKSA-N 1 2 295.383 0.486 20 30 CCEDLO Cc1sc(NC(=O)C[NH+](CCO)CCO)c(C#N)c1C ZINC000049753350 388923412 /nfs/dbraw/zinc/92/34/12/388923412.db2.gz NTYICHNLDGYTCN-UHFFFAOYSA-N 1 2 297.380 0.462 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000051857117 388927633 /nfs/dbraw/zinc/92/76/33/388927633.db2.gz JTYKYPYJCQFPTN-LLVKDONJSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000051857117 388927635 /nfs/dbraw/zinc/92/76/35/388927635.db2.gz JTYKYPYJCQFPTN-LLVKDONJSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000066539669 388945639 /nfs/dbraw/zinc/94/56/39/388945639.db2.gz JPXQXXCWXLJCNX-SNVBAGLBSA-N 1 2 282.344 0.225 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000066539669 388945642 /nfs/dbraw/zinc/94/56/42/388945642.db2.gz JPXQXXCWXLJCNX-SNVBAGLBSA-N 1 2 282.344 0.225 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000293170712 388979892 /nfs/dbraw/zinc/97/98/92/388979892.db2.gz RYXXLKCAOHQCAH-UHFFFAOYSA-N 1 2 266.341 0.591 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000293151166 388980088 /nfs/dbraw/zinc/98/00/88/388980088.db2.gz OCFVIETUJAWHPI-WCQYABFASA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000293151166 388980090 /nfs/dbraw/zinc/98/00/90/388980090.db2.gz OCFVIETUJAWHPI-WCQYABFASA-N 1 2 268.357 0.645 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000192223329 389027779 /nfs/dbraw/zinc/02/77/79/389027779.db2.gz HNTISWQSZCDKGV-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000192223329 389027782 /nfs/dbraw/zinc/02/77/82/389027782.db2.gz HNTISWQSZCDKGV-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191204323 389008226 /nfs/dbraw/zinc/00/82/26/389008226.db2.gz BCIJQIQQQWMWBO-LBPRGKRZSA-N 1 2 280.397 0.812 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191204323 389008231 /nfs/dbraw/zinc/00/82/31/389008231.db2.gz BCIJQIQQQWMWBO-LBPRGKRZSA-N 1 2 280.397 0.812 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000192087358 389025208 /nfs/dbraw/zinc/02/52/08/389025208.db2.gz GFILDVACJOGZEI-UHFFFAOYSA-N 1 2 291.395 0.557 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000337228217 389056936 /nfs/dbraw/zinc/05/69/36/389056936.db2.gz GUIGSIKPWFVINJ-JTQLQIEISA-N 1 2 285.344 0.272 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OC)[C@@H](C)CC ZINC000337228217 389056939 /nfs/dbraw/zinc/05/69/39/389056939.db2.gz GUIGSIKPWFVINJ-JTQLQIEISA-N 1 2 285.344 0.272 20 30 CCEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000103492190 389078200 /nfs/dbraw/zinc/07/82/00/389078200.db2.gz NRYKOGWKWJZWSG-ZDUSSCGKSA-N 1 2 278.400 0.965 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000104676390 389083801 /nfs/dbraw/zinc/08/38/01/389083801.db2.gz CMOAXMMOZJVYKO-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000104676390 389083806 /nfs/dbraw/zinc/08/38/06/389083806.db2.gz CMOAXMMOZJVYKO-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO N#C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CCO1 ZINC000106044402 389089706 /nfs/dbraw/zinc/08/97/06/389089706.db2.gz UPEBKSVRYPJKCP-LBPRGKRZSA-N 1 2 291.376 0.857 20 30 CCEDLO N#C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CCO1 ZINC000106044402 389089710 /nfs/dbraw/zinc/08/97/10/389089710.db2.gz UPEBKSVRYPJKCP-LBPRGKRZSA-N 1 2 291.376 0.857 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)C[C@@H]21 ZINC000328899764 389143854 /nfs/dbraw/zinc/14/38/54/389143854.db2.gz ZDOHDRNTMCVJBI-XJFOESAGSA-N 1 2 295.383 0.483 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)C[C@@H]21 ZINC000328899764 389143856 /nfs/dbraw/zinc/14/38/56/389143856.db2.gz ZDOHDRNTMCVJBI-XJFOESAGSA-N 1 2 295.383 0.483 20 30 CCEDLO CCOC1CC(CNC(=O)N2CCC2)([NH+]2CCOCC2)C1 ZINC000328899369 389143946 /nfs/dbraw/zinc/14/39/46/389143946.db2.gz XHHJPJJKSIIZSC-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358291895 389147069 /nfs/dbraw/zinc/14/70/69/389147069.db2.gz USXAYMYWUXXUIX-NXEZZACHSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358291895 389147072 /nfs/dbraw/zinc/14/70/72/389147072.db2.gz USXAYMYWUXXUIX-NXEZZACHSA-N 1 2 264.329 0.503 20 30 CCEDLO NC(CCO)=[NH+]O[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000121350004 389147234 /nfs/dbraw/zinc/14/72/34/389147234.db2.gz BIXOAXSWQWHIBY-GFCCVEGCSA-N 1 2 295.314 0.992 20 30 CCEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000121347235 389147273 /nfs/dbraw/zinc/14/72/73/389147273.db2.gz RUPKLXMXMVUZEG-UHFFFAOYSA-N 1 2 251.286 0.816 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815408 389100040 /nfs/dbraw/zinc/10/00/40/389100040.db2.gz CIFJOFSWTNJRNZ-CYBMUJFWSA-N 1 2 286.335 0.363 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815408 389100042 /nfs/dbraw/zinc/10/00/42/389100042.db2.gz CIFJOFSWTNJRNZ-CYBMUJFWSA-N 1 2 286.335 0.363 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338381159 389111238 /nfs/dbraw/zinc/11/12/38/389111238.db2.gz GLXHQENXONQBJT-RWMBFGLXSA-N 1 2 281.356 0.094 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338381159 389111242 /nfs/dbraw/zinc/11/12/42/389111242.db2.gz GLXHQENXONQBJT-RWMBFGLXSA-N 1 2 281.356 0.094 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000121370428 389148384 /nfs/dbraw/zinc/14/83/84/389148384.db2.gz SEHJBWMAATYHCG-UHFFFAOYSA-N 1 2 268.298 0.969 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338884668 389118432 /nfs/dbraw/zinc/11/84/32/389118432.db2.gz YNPFRMHMNJGJJZ-STQMWFEESA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339071928 389124347 /nfs/dbraw/zinc/12/43/47/389124347.db2.gz DQEWRBWBPCYLJR-IJLUTSLNSA-N 1 2 288.417 0.490 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339155695 389126560 /nfs/dbraw/zinc/12/65/60/389126560.db2.gz CYUWHJKOFHBEJL-NWDGAFQWSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339155695 389126564 /nfs/dbraw/zinc/12/65/64/389126564.db2.gz CYUWHJKOFHBEJL-NWDGAFQWSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)OCC ZINC000339493482 389134315 /nfs/dbraw/zinc/13/43/15/389134315.db2.gz HRYOEBKTZAYZEN-UONOGXRCSA-N 1 2 281.400 0.474 20 30 CCEDLO C[C@@H](CNC(=O)CN1CCCCC1=O)[NH+]1CCN(C)CC1 ZINC000328764861 389136924 /nfs/dbraw/zinc/13/69/24/389136924.db2.gz GOKCDZIVYJNOLR-ZDUSSCGKSA-N 1 2 296.415 0.591 20 30 CCEDLO C=CCCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000339699954 389137693 /nfs/dbraw/zinc/13/76/93/389137693.db2.gz FFKJJVCRRGGDFS-UHFFFAOYSA-N 1 2 251.334 0.673 20 30 CCEDLO C=CCCOCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000339699954 389137696 /nfs/dbraw/zinc/13/76/96/389137696.db2.gz FFKJJVCRRGGDFS-UHFFFAOYSA-N 1 2 251.334 0.673 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2COCCO2)C1 ZINC000328780907 389138317 /nfs/dbraw/zinc/13/83/17/389138317.db2.gz MRGNPBRRVSKVRT-NEPJUHHUSA-N 1 2 294.355 0.539 20 30 CCEDLO CC(C)(CNC(=O)CN1CCCO1)[NH+]1CCOCC1 ZINC000329682452 389187950 /nfs/dbraw/zinc/18/79/50/389187950.db2.gz SLFBKACRUHOTIB-UHFFFAOYSA-N 1 2 271.361 0.691 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000360956944 389206372 /nfs/dbraw/zinc/20/63/72/389206372.db2.gz JHWRDWBFANGVLQ-OLZOCXBDSA-N 1 2 253.342 0.993 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000360956944 389206374 /nfs/dbraw/zinc/20/63/74/389206374.db2.gz JHWRDWBFANGVLQ-OLZOCXBDSA-N 1 2 253.342 0.993 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360489649 389198435 /nfs/dbraw/zinc/19/84/35/389198435.db2.gz HKPXBLZVOCOWLU-DTWKUNHWSA-N 1 2 250.302 0.113 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360489649 389198436 /nfs/dbraw/zinc/19/84/36/389198436.db2.gz HKPXBLZVOCOWLU-DTWKUNHWSA-N 1 2 250.302 0.113 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCSC1 ZINC000329778752 389199449 /nfs/dbraw/zinc/19/94/49/389199449.db2.gz QLBNMJDSONQQQV-GHMZBOCLSA-N 1 2 273.402 0.716 20 30 CCEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[S@@](=O)C1 ZINC000329326794 389157748 /nfs/dbraw/zinc/15/77/48/389157748.db2.gz WVIKPRRBJCCKCD-FVINQWEUSA-N 1 2 292.364 0.859 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000359226977 389168755 /nfs/dbraw/zinc/16/87/55/389168755.db2.gz JOVWLPJDFFKJIU-NWDGAFQWSA-N 1 2 278.356 0.915 20 30 CCEDLO CO[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329580602 389171828 /nfs/dbraw/zinc/17/18/28/389171828.db2.gz WWQWHGXIAHCIFC-BETUJISGSA-N 1 2 297.399 0.874 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000329619796 389176941 /nfs/dbraw/zinc/17/69/41/389176941.db2.gz QZYPRNNXSXJJTC-NXEZZACHSA-N 1 2 252.318 0.991 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000128390698 389177157 /nfs/dbraw/zinc/17/71/57/389177157.db2.gz VSNFCFMOVUEMNA-UHFFFAOYSA-N 1 2 288.347 0.851 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NCC1CCOCC1 ZINC000330578340 389243126 /nfs/dbraw/zinc/24/31/26/389243126.db2.gz QCLAIFWXYRYUSY-UHFFFAOYSA-N 1 2 252.318 0.850 20 30 CCEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(C)n1 ZINC000330578512 389243564 /nfs/dbraw/zinc/24/35/64/389243564.db2.gz HSLZMWUXQSUHKI-ZDUSSCGKSA-N 1 2 293.367 0.696 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C#N)C1 ZINC000330611616 389246542 /nfs/dbraw/zinc/24/65/42/389246542.db2.gz VYGKVZNUMXDURD-LLVKDONJSA-N 1 2 281.356 0.537 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C#N)C1 ZINC000330611616 389246543 /nfs/dbraw/zinc/24/65/43/389246543.db2.gz VYGKVZNUMXDURD-LLVKDONJSA-N 1 2 281.356 0.537 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000342967414 389256063 /nfs/dbraw/zinc/25/60/63/389256063.db2.gz VPMKOWXGGIMTRT-UHFFFAOYSA-N 1 2 250.302 0.119 20 30 CCEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000343057248 389257553 /nfs/dbraw/zinc/25/75/53/389257553.db2.gz BQKDTCAXICVCFH-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000343057248 389257555 /nfs/dbraw/zinc/25/75/55/389257555.db2.gz BQKDTCAXICVCFH-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000249732680 389258695 /nfs/dbraw/zinc/25/86/95/389258695.db2.gz UTEKUMRNEOYXAX-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000249732680 389258697 /nfs/dbraw/zinc/25/86/97/389258697.db2.gz UTEKUMRNEOYXAX-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCCc2ccccc21 ZINC000136071319 389264461 /nfs/dbraw/zinc/26/44/61/389264461.db2.gz QUPSLGRJJGAHCA-UHFFFAOYSA-N 1 2 277.324 0.637 20 30 CCEDLO O=C(CN1CCOCC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329882833 389208609 /nfs/dbraw/zinc/20/86/09/389208609.db2.gz QLFCPVSDZBDUPQ-JTQLQIEISA-N 1 2 278.312 0.013 20 30 CCEDLO CC1(CNC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)COC1 ZINC000329895272 389209867 /nfs/dbraw/zinc/20/98/67/389209867.db2.gz KJYRJSRJSAJBRF-LLVKDONJSA-N 1 2 278.356 0.986 20 30 CCEDLO CC1(C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)COC1 ZINC000329895272 389209868 /nfs/dbraw/zinc/20/98/68/389209868.db2.gz KJYRJSRJSAJBRF-LLVKDONJSA-N 1 2 278.356 0.986 20 30 CCEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000245554564 389212166 /nfs/dbraw/zinc/21/21/66/389212166.db2.gz HGIJEYDHFWFENY-BXUZGUMPSA-N 1 2 289.335 0.664 20 30 CCEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000245554564 389212170 /nfs/dbraw/zinc/21/21/70/389212170.db2.gz HGIJEYDHFWFENY-BXUZGUMPSA-N 1 2 289.335 0.664 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@H]2CCOC)C1=O ZINC000361518148 389218718 /nfs/dbraw/zinc/21/87/18/389218718.db2.gz FXRIHQUWZHZMRL-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@H]2CCOC)C1=O ZINC000361518148 389218721 /nfs/dbraw/zinc/21/87/21/389218721.db2.gz FXRIHQUWZHZMRL-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C[C@H](CO)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000330402931 389225099 /nfs/dbraw/zinc/22/50/99/389225099.db2.gz BSVAEHFGHHDTLD-RYUDHWBXSA-N 1 2 278.356 0.792 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC[C@H](O)CC1 ZINC000330409147 389226046 /nfs/dbraw/zinc/22/60/46/389226046.db2.gz IIWNSULXSUWXCC-XYPYZODXSA-N 1 2 252.318 0.690 20 30 CCEDLO [O-]C(NCCn1cc[nH+]c1)=[NH+][C@H]1CC[C@H](O)CC1 ZINC000330409147 389226048 /nfs/dbraw/zinc/22/60/48/389226048.db2.gz IIWNSULXSUWXCC-XYPYZODXSA-N 1 2 252.318 0.690 20 30 CCEDLO CC#CC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247141738 389236721 /nfs/dbraw/zinc/23/67/21/389236721.db2.gz ZRZKIQAVOYMWSO-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO CC#CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247141738 389236725 /nfs/dbraw/zinc/23/67/25/389236725.db2.gz ZRZKIQAVOYMWSO-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247467248 389240502 /nfs/dbraw/zinc/24/05/02/389240502.db2.gz UXZGHKLLHWLZEL-XQQFMLRXSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247467248 389240505 /nfs/dbraw/zinc/24/05/05/389240505.db2.gz UXZGHKLLHWLZEL-XQQFMLRXSA-N 1 2 268.357 0.557 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000331840401 389314393 /nfs/dbraw/zinc/31/43/93/389314393.db2.gz KPFPLUOMHOBOPT-TZMCWYRMSA-N 1 2 297.424 0.595 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000331840401 389314394 /nfs/dbraw/zinc/31/43/94/389314394.db2.gz KPFPLUOMHOBOPT-TZMCWYRMSA-N 1 2 297.424 0.595 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)CC1=CCCOC1 ZINC000154757720 389315072 /nfs/dbraw/zinc/31/50/72/389315072.db2.gz KZWANZYSXMFNBH-UHFFFAOYSA-N 1 2 279.384 0.881 20 30 CCEDLO N#CCC[N@H+](CCN1CCOCC1)CC1=CCCOC1 ZINC000154757720 389315074 /nfs/dbraw/zinc/31/50/74/389315074.db2.gz KZWANZYSXMFNBH-UHFFFAOYSA-N 1 2 279.384 0.881 20 30 CCEDLO N#CCC[N@@H+](CCN1CCOCC1)CC1=CCCOC1 ZINC000154757720 389315077 /nfs/dbraw/zinc/31/50/77/389315077.db2.gz KZWANZYSXMFNBH-UHFFFAOYSA-N 1 2 279.384 0.881 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346497304 389329983 /nfs/dbraw/zinc/32/99/83/389329983.db2.gz VYAZAMACRBWVKD-ZDUSSCGKSA-N 1 2 277.368 0.494 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346497304 389329985 /nfs/dbraw/zinc/32/99/85/389329985.db2.gz VYAZAMACRBWVKD-ZDUSSCGKSA-N 1 2 277.368 0.494 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000346614255 389333646 /nfs/dbraw/zinc/33/36/46/389333646.db2.gz NGBWYVWFXBYGCH-IUCAKERBSA-N 1 2 293.289 0.792 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000346614255 389333647 /nfs/dbraw/zinc/33/36/47/389333647.db2.gz NGBWYVWFXBYGCH-IUCAKERBSA-N 1 2 293.289 0.792 20 30 CCEDLO N#Cc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000332086736 389334204 /nfs/dbraw/zinc/33/42/04/389334204.db2.gz HHJTWOPBMUTLIA-UHFFFAOYSA-N 1 2 284.323 0.567 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345088024 389289348 /nfs/dbraw/zinc/28/93/48/389289348.db2.gz AIIMQIXYKIVZIF-UHFFFAOYSA-N 1 2 251.286 0.723 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345088024 389289351 /nfs/dbraw/zinc/28/93/51/389289351.db2.gz AIIMQIXYKIVZIF-UHFFFAOYSA-N 1 2 251.286 0.723 20 30 CCEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)CC[NH+](C)C)CC2 ZINC000331054963 389297948 /nfs/dbraw/zinc/29/79/48/389297948.db2.gz KEYRUIKQKCZJBL-LLVKDONJSA-N 1 2 294.403 0.563 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CSCC#N ZINC000345437383 389306059 /nfs/dbraw/zinc/30/60/59/389306059.db2.gz WKUFSLGTOMATAA-NSHDSACASA-N 1 2 271.386 0.422 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C1CC1 ZINC000348204778 389371089 /nfs/dbraw/zinc/37/10/89/389371089.db2.gz UXZDMDMJBQTRDX-GFCCVEGCSA-N 1 2 267.329 0.290 20 30 CCEDLO C=CCNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159876234 389375987 /nfs/dbraw/zinc/37/59/87/389375987.db2.gz QHNLMNSQXVDRKQ-NSHDSACASA-N 1 2 258.387 0.743 20 30 CCEDLO C=C(C)COCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348590168 389384214 /nfs/dbraw/zinc/38/42/14/389384214.db2.gz GRPVVSDHNLNEHW-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO C=C(C)COCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348590168 389384217 /nfs/dbraw/zinc/38/42/17/389384217.db2.gz GRPVVSDHNLNEHW-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000348784618 389391797 /nfs/dbraw/zinc/39/17/97/389391797.db2.gz NUWFJWYXYCBSHQ-UHFFFAOYSA-N 1 2 286.291 0.402 20 30 CCEDLO C#CCCCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000159045520 389356622 /nfs/dbraw/zinc/35/66/22/389356622.db2.gz RJUQBJPYGKZCCF-UHFFFAOYSA-N 1 2 275.308 0.948 20 30 CCEDLO COC(=O)[C@]1([NH2+]CCCSCC#N)CCOC1 ZINC000348105920 389365244 /nfs/dbraw/zinc/36/52/44/389365244.db2.gz GKWDPQLDTSDOPP-NSHDSACASA-N 1 2 258.343 0.555 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000171764469 389481319 /nfs/dbraw/zinc/48/13/19/389481319.db2.gz LWYKLMIUPCFDLK-UHFFFAOYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000171764469 389481324 /nfs/dbraw/zinc/48/13/24/389481324.db2.gz LWYKLMIUPCFDLK-UHFFFAOYSA-N 1 2 295.383 0.534 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000164691901 389435994 /nfs/dbraw/zinc/43/59/94/389435994.db2.gz MIPRRWUCYZICFX-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000164691901 389435999 /nfs/dbraw/zinc/43/59/99/389435999.db2.gz MIPRRWUCYZICFX-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO C=CCN(C)CC[N@@H+](CC)C[C@H](C)S(C)(=O)=O ZINC000411643594 389440782 /nfs/dbraw/zinc/44/07/82/389440782.db2.gz IMDVOINBKQQUFT-LBPRGKRZSA-N 1 2 262.419 0.859 20 30 CCEDLO C=CCN(C)CC[N@H+](CC)C[C@H](C)S(C)(=O)=O ZINC000411643594 389440783 /nfs/dbraw/zinc/44/07/83/389440783.db2.gz IMDVOINBKQQUFT-LBPRGKRZSA-N 1 2 262.419 0.859 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)Cc2ccco2)C1 ZINC000172726706 389493304 /nfs/dbraw/zinc/49/33/04/389493304.db2.gz SICHYMTXYYZKIM-CYBMUJFWSA-N 1 2 277.324 0.852 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N(CCC#N)Cc2ccco2)C1 ZINC000172726706 389493305 /nfs/dbraw/zinc/49/33/05/389493305.db2.gz SICHYMTXYYZKIM-CYBMUJFWSA-N 1 2 277.324 0.852 20 30 CCEDLO C=CCNC(=O)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000272019633 389456937 /nfs/dbraw/zinc/45/69/37/389456937.db2.gz OXSZUJFBBHHWCY-UHFFFAOYSA-N 1 2 278.360 0.775 20 30 CCEDLO C=CCNC(=O)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000272019633 389456939 /nfs/dbraw/zinc/45/69/39/389456939.db2.gz OXSZUJFBBHHWCY-UHFFFAOYSA-N 1 2 278.360 0.775 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277970813 389558446 /nfs/dbraw/zinc/55/84/46/389558446.db2.gz YUYXXAMKVHMYBJ-LLVKDONJSA-N 1 2 264.329 0.662 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277970813 389558447 /nfs/dbraw/zinc/55/84/47/389558447.db2.gz YUYXXAMKVHMYBJ-LLVKDONJSA-N 1 2 264.329 0.662 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC(N)=O)Cc2ccccc2)C1=O ZINC000281914570 389634891 /nfs/dbraw/zinc/63/48/91/389634891.db2.gz GUAMERMSQWIKKE-AWEZNQCLSA-N 1 2 287.363 0.761 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC(N)=O)Cc2ccccc2)C1=O ZINC000281914570 389634894 /nfs/dbraw/zinc/63/48/94/389634894.db2.gz GUAMERMSQWIKKE-AWEZNQCLSA-N 1 2 287.363 0.761 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC(F)(F)F)C1=O ZINC000281985430 389643087 /nfs/dbraw/zinc/64/30/87/389643087.db2.gz MKUXOTFZLZUECQ-VIFPVBQESA-N 1 2 293.289 0.384 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC(F)(F)F)C1=O ZINC000281985430 389643093 /nfs/dbraw/zinc/64/30/93/389643093.db2.gz MKUXOTFZLZUECQ-VIFPVBQESA-N 1 2 293.289 0.384 20 30 CCEDLO C#CCSCCNC(=O)CCc1c[nH+]cn1C ZINC000280253457 389599236 /nfs/dbraw/zinc/59/92/36/389599236.db2.gz UNRGRFBCKMKVLI-UHFFFAOYSA-N 1 2 251.355 0.835 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000375842984 389719178 /nfs/dbraw/zinc/71/91/78/389719178.db2.gz ADKIIXGGDWZGDY-YGRLFVJLSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000375842984 389719180 /nfs/dbraw/zinc/71/91/80/389719180.db2.gz ADKIIXGGDWZGDY-YGRLFVJLSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000181242873 389683441 /nfs/dbraw/zinc/68/34/41/389683441.db2.gz DZFDDSDQWNFZMK-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000181242873 389683442 /nfs/dbraw/zinc/68/34/42/389683442.db2.gz DZFDDSDQWNFZMK-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119444 389724403 /nfs/dbraw/zinc/72/44/03/389724403.db2.gz LXPYQTFPZAZJPA-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119444 389724406 /nfs/dbraw/zinc/72/44/06/389724406.db2.gz LXPYQTFPZAZJPA-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416670788 389765632 /nfs/dbraw/zinc/76/56/32/389765632.db2.gz UPYYAEQUCPNNII-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416670788 389765634 /nfs/dbraw/zinc/76/56/34/389765634.db2.gz UPYYAEQUCPNNII-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672171 389765667 /nfs/dbraw/zinc/76/56/67/389765667.db2.gz YCVXYTKTFAUJJU-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672171 389765668 /nfs/dbraw/zinc/76/56/68/389765668.db2.gz YCVXYTKTFAUJJU-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000395344283 389777463 /nfs/dbraw/zinc/77/74/63/389777463.db2.gz IFSHFVMTSFQXJU-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000395344283 389777465 /nfs/dbraw/zinc/77/74/65/389777465.db2.gz IFSHFVMTSFQXJU-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375929044 389726669 /nfs/dbraw/zinc/72/66/69/389726669.db2.gz CQRYZRYXOSJBOR-CLUVUEOHSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375929044 389726673 /nfs/dbraw/zinc/72/66/73/389726673.db2.gz CQRYZRYXOSJBOR-CLUVUEOHSA-N 1 2 285.413 0.447 20 30 CCEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000431965669 389869975 /nfs/dbraw/zinc/86/99/75/389869975.db2.gz RFNFKHBAFQYIHG-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435421958 389956786 /nfs/dbraw/zinc/95/67/86/389956786.db2.gz MDPTZWCHUZIOIB-BETUJISGSA-N 1 2 290.429 0.933 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435421958 389956788 /nfs/dbraw/zinc/95/67/88/389956788.db2.gz MDPTZWCHUZIOIB-BETUJISGSA-N 1 2 290.429 0.933 20 30 CCEDLO C[C@@H](C#N)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447680837 389962420 /nfs/dbraw/zinc/96/24/20/389962420.db2.gz SKDCDFSOMANFHJ-JTQLQIEISA-N 1 2 286.335 0.628 20 30 CCEDLO C[C@@H](C#N)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447680837 389962421 /nfs/dbraw/zinc/96/24/21/389962421.db2.gz SKDCDFSOMANFHJ-JTQLQIEISA-N 1 2 286.335 0.628 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000446669788 389939351 /nfs/dbraw/zinc/93/93/51/389939351.db2.gz GGPRLWSBPGBVTQ-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000492771517 390118439 /nfs/dbraw/zinc/11/84/39/390118439.db2.gz SDVWHMSOONYJOX-QMAVJUDZSA-N 1 2 274.324 0.668 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC000493137348 390119239 /nfs/dbraw/zinc/11/92/39/390119239.db2.gz AUHCTCKHAXHGPD-NWDGAFQWSA-N 1 2 279.340 0.300 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC000493137348 390119240 /nfs/dbraw/zinc/11/92/40/390119240.db2.gz AUHCTCKHAXHGPD-NWDGAFQWSA-N 1 2 279.340 0.300 20 30 CCEDLO N#Cc1nccc(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000579296127 390160771 /nfs/dbraw/zinc/16/07/71/390160771.db2.gz JSDJVMLAXKXQEE-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO Cc1nc(N)c(CNC(=O)C2(C#N)CC(C)C2)c[nH+]1 ZINC000579716578 390201665 /nfs/dbraw/zinc/20/16/65/390201665.db2.gz OVGBWSCWIXWYFW-UHFFFAOYSA-N 1 2 259.313 0.754 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000543543757 390283784 /nfs/dbraw/zinc/28/37/84/390283784.db2.gz NUDPUFDMOQKKSE-SFYZADRCSA-N 1 2 281.316 0.429 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523101 390364032 /nfs/dbraw/zinc/36/40/32/390364032.db2.gz VSFPOZMQGAAJDU-AWEZNQCLSA-N 1 2 292.339 0.447 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523101 390364033 /nfs/dbraw/zinc/36/40/33/390364033.db2.gz VSFPOZMQGAAJDU-AWEZNQCLSA-N 1 2 292.339 0.447 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000648269034 390350273 /nfs/dbraw/zinc/35/02/73/390350273.db2.gz OJSSXBONQFIESS-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000648269034 390350276 /nfs/dbraw/zinc/35/02/76/390350276.db2.gz OJSSXBONQFIESS-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000645174916 390382187 /nfs/dbraw/zinc/38/21/87/390382187.db2.gz WNDUWSWCRMVBIK-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000645262267 390398537 /nfs/dbraw/zinc/39/85/37/390398537.db2.gz VNUFDKFZQDNEKO-CYBMUJFWSA-N 1 2 250.342 0.579 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000645262267 390398539 /nfs/dbraw/zinc/39/85/39/390398539.db2.gz VNUFDKFZQDNEKO-CYBMUJFWSA-N 1 2 250.342 0.579 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC[C@H](O)C1 ZINC000562543138 390489989 /nfs/dbraw/zinc/48/99/89/390489989.db2.gz LWCNUXUJGCYOSV-CHWSQXEVSA-N 1 2 295.383 0.411 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@H](O)C1 ZINC000562543138 390489991 /nfs/dbraw/zinc/48/99/91/390489991.db2.gz LWCNUXUJGCYOSV-CHWSQXEVSA-N 1 2 295.383 0.411 20 30 CCEDLO Cc1ccc(C(N)=O)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000564804310 390496393 /nfs/dbraw/zinc/49/63/93/390496393.db2.gz VJOKOISSANMNGR-GFCCVEGCSA-N 1 2 291.351 0.679 20 30 CCEDLO Cc1ccc(C(N)=O)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000564804310 390496398 /nfs/dbraw/zinc/49/63/98/390496398.db2.gz VJOKOISSANMNGR-GFCCVEGCSA-N 1 2 291.351 0.679 20 30 CCEDLO COC(=O)N1CC([NH2+]Cc2nc(C#N)cs2)C1 ZINC000497271650 390447619 /nfs/dbraw/zinc/44/76/19/390447619.db2.gz ZKGQOICCSWWQPP-UHFFFAOYSA-N 1 2 252.299 0.555 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000649247877 390536322 /nfs/dbraw/zinc/53/63/22/390536322.db2.gz FWWMALMUVNTYSQ-CQSZACIVSA-N 1 2 277.368 0.720 20 30 CCEDLO COCCN1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000521276736 390602776 /nfs/dbraw/zinc/60/27/76/390602776.db2.gz HOZSAQFSCMSAHG-UHFFFAOYSA-N 1 2 299.334 0.454 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C#N)ccn1 ZINC000567536250 390703172 /nfs/dbraw/zinc/70/31/72/390703172.db2.gz GPQBIQFTDPDBEY-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000646818466 390724544 /nfs/dbraw/zinc/72/45/44/390724544.db2.gz TVGKDIQOAOQJGI-TZMCWYRMSA-N 1 2 275.352 0.834 20 30 CCEDLO Cc1cc(NCCNc2cc(C#N)ncn2)nc(C(C)C)[nH+]1 ZINC000528156027 390734232 /nfs/dbraw/zinc/73/42/32/390734232.db2.gz KPXOJHRIZCTKJY-UHFFFAOYSA-N 1 2 297.366 0.938 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)CCC1 ZINC000526135866 390680303 /nfs/dbraw/zinc/68/03/03/390680303.db2.gz LVSVZEGYGHIJGV-LBPRGKRZSA-N 1 2 290.367 0.246 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)CCC1 ZINC000526135866 390680308 /nfs/dbraw/zinc/68/03/08/390680308.db2.gz LVSVZEGYGHIJGV-LBPRGKRZSA-N 1 2 290.367 0.246 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000646613618 390700008 /nfs/dbraw/zinc/70/00/08/390700008.db2.gz TVOJPDPWPNZPGG-CYBMUJFWSA-N 1 2 261.325 0.273 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@H](C)[S@@]1=O ZINC000528477741 390748614 /nfs/dbraw/zinc/74/86/14/390748614.db2.gz PFSCZZJFMQBQBN-QPSSLKIMSA-N 1 2 270.398 0.882 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@H](C)[S@@]1=O ZINC000528477741 390748616 /nfs/dbraw/zinc/74/86/16/390748616.db2.gz PFSCZZJFMQBQBN-QPSSLKIMSA-N 1 2 270.398 0.882 20 30 CCEDLO CCOC(=O)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578240420 390873255 /nfs/dbraw/zinc/87/32/55/390873255.db2.gz RIILLRUPTNVNIQ-GFCCVEGCSA-N 1 2 255.318 0.290 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CCC1 ZINC000530342880 390876378 /nfs/dbraw/zinc/87/63/78/390876378.db2.gz WUDGYCJKWQAIGU-GVXVVHGQSA-N 1 2 290.367 0.135 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CCC1 ZINC000530342880 390876381 /nfs/dbraw/zinc/87/63/81/390876381.db2.gz WUDGYCJKWQAIGU-GVXVVHGQSA-N 1 2 290.367 0.135 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000532326701 390879321 /nfs/dbraw/zinc/87/93/21/390879321.db2.gz LBZSXZPKBBFYAK-LXVYMNJGSA-N 1 2 265.357 0.763 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000532326701 390879323 /nfs/dbraw/zinc/87/93/23/390879323.db2.gz LBZSXZPKBBFYAK-LXVYMNJGSA-N 1 2 265.357 0.763 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192029992 130355133 /nfs/dbraw/zinc/35/51/33/130355133.db2.gz FEJOXFCAYOZUDJ-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192029992 130355135 /nfs/dbraw/zinc/35/51/35/130355135.db2.gz FEJOXFCAYOZUDJ-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO N#Cc1ccc(NC[C@@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000357439011 144091560 /nfs/dbraw/zinc/09/15/60/144091560.db2.gz JFWZMINTUNBFHI-CYBMUJFWSA-N 1 2 287.323 0.878 20 30 CCEDLO N#Cc1ccc(NC[C@@H]2CN3CC[NH+]2CC3)cc1[N+](=O)[O-] ZINC000357439011 144091561 /nfs/dbraw/zinc/09/15/61/144091561.db2.gz JFWZMINTUNBFHI-CYBMUJFWSA-N 1 2 287.323 0.878 20 30 CCEDLO N#C[C@@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCOC1 ZINC000358440808 397471238 /nfs/dbraw/zinc/47/12/38/397471238.db2.gz KRXMYHQCISKTHA-AWEZNQCLSA-N 1 2 270.292 0.676 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)cn1 ZINC000357610562 144104393 /nfs/dbraw/zinc/10/43/93/144104393.db2.gz COBNFUSHOWJKOA-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C ZINC000049024182 411669147 /nfs/dbraw/zinc/66/91/47/411669147.db2.gz UFKGZLMJZDEQFI-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C ZINC000049024182 411669149 /nfs/dbraw/zinc/66/91/49/411669149.db2.gz UFKGZLMJZDEQFI-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nn1 ZINC000653636964 412327263 /nfs/dbraw/zinc/32/72/63/412327263.db2.gz YFUCUYMGFCQNLZ-UBHSHLNASA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)nn1 ZINC000653636964 412327267 /nfs/dbraw/zinc/32/72/67/412327267.db2.gz YFUCUYMGFCQNLZ-UBHSHLNASA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@H]2COC)nn1 ZINC000653779058 412347010 /nfs/dbraw/zinc/34/70/10/412347010.db2.gz XKNPLFLOBBYMPI-QWHCGFSZSA-N 1 2 266.345 0.436 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@H]2COC)nn1 ZINC000653779058 412347013 /nfs/dbraw/zinc/34/70/13/412347013.db2.gz XKNPLFLOBBYMPI-QWHCGFSZSA-N 1 2 266.345 0.436 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000339048041 262587871 /nfs/dbraw/zinc/58/78/71/262587871.db2.gz TWKRQRXXNKAHPM-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000339048041 262587872 /nfs/dbraw/zinc/58/78/72/262587872.db2.gz TWKRQRXXNKAHPM-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000662165885 414694984 /nfs/dbraw/zinc/69/49/84/414694984.db2.gz UUOOWWZXISIKKU-GHMZBOCLSA-N 1 2 259.313 0.860 20 30 CCEDLO Cn1cnnc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329255344 227386781 /nfs/dbraw/zinc/38/67/81/227386781.db2.gz XDNSLMJIGGAQAA-GFCCVEGCSA-N 1 2 293.371 0.915 20 30 CCEDLO Cn1cnnc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329255344 227386784 /nfs/dbraw/zinc/38/67/84/227386784.db2.gz XDNSLMJIGGAQAA-GFCCVEGCSA-N 1 2 293.371 0.915 20 30 CCEDLO C[C@H]1C(=O)NCCCN1C(=O)NCc1[nH+]ccn1C ZINC000329965176 228000046 /nfs/dbraw/zinc/00/00/46/228000046.db2.gz UYPYYXXWRGAYAV-VIFPVBQESA-N 1 2 265.317 0.885 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329983016 228006103 /nfs/dbraw/zinc/00/61/03/228006103.db2.gz PHXULRSQNHVMER-LSJOCFKGSA-N 1 2 295.343 0.368 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329983016 228006104 /nfs/dbraw/zinc/00/61/04/228006104.db2.gz PHXULRSQNHVMER-LSJOCFKGSA-N 1 2 295.343 0.368 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329999976 228012541 /nfs/dbraw/zinc/01/25/41/228012541.db2.gz VRQLBHUKOLIQFS-SVDPJWKOSA-N 1 2 262.313 0.346 20 30 CCEDLO [O-]C(N[C@H]1[C@@H]2COC[C@@H]21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329999976 228012543 /nfs/dbraw/zinc/01/25/43/228012543.db2.gz VRQLBHUKOLIQFS-SVDPJWKOSA-N 1 2 262.313 0.346 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330104613 228040304 /nfs/dbraw/zinc/04/03/04/228040304.db2.gz HDIOYFSERAVPLY-JTQLQIEISA-N 1 2 265.317 0.442 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330104613 228040305 /nfs/dbraw/zinc/04/03/05/228040305.db2.gz HDIOYFSERAVPLY-JTQLQIEISA-N 1 2 265.317 0.442 20 30 CCEDLO CS(=O)(=O)NCC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000352242240 228205272 /nfs/dbraw/zinc/20/52/72/228205272.db2.gz PUDYBZTYFGIQQB-ZDUSSCGKSA-N 1 2 298.412 0.691 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1cnn(C)c1 ZINC000329797857 545026581 /nfs/dbraw/zinc/02/65/81/545026581.db2.gz FYOXWJVTRKJJGZ-WCQYABFASA-N 1 2 294.403 0.231 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1cnn(C)c1 ZINC000329797857 545026583 /nfs/dbraw/zinc/02/65/83/545026583.db2.gz FYOXWJVTRKJJGZ-WCQYABFASA-N 1 2 294.403 0.231 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)C2(C#N)CCCC2)CC1 ZINC000408061222 260206129 /nfs/dbraw/zinc/20/61/29/260206129.db2.gz FGDUACXTZWZWGU-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc[nH]1 ZINC000070920683 260270615 /nfs/dbraw/zinc/27/06/15/260270615.db2.gz YEYSTRFLKOCECV-UHFFFAOYSA-N 1 2 276.340 0.703 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000081159917 260331249 /nfs/dbraw/zinc/33/12/49/260331249.db2.gz OJPPAPIWRJHMTH-UHFFFAOYSA-N 1 2 289.339 0.643 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081159917 260331251 /nfs/dbraw/zinc/33/12/51/260331251.db2.gz OJPPAPIWRJHMTH-UHFFFAOYSA-N 1 2 289.339 0.643 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000106330102 260632381 /nfs/dbraw/zinc/63/23/81/260632381.db2.gz MFLMMMXIIRTZNL-ZDUSSCGKSA-N 1 2 299.334 0.811 20 30 CCEDLO Cc1cccc(OCCO[NH+]=C(N)CN2CCOCC2)c1 ZINC000124162219 260744482 /nfs/dbraw/zinc/74/44/82/260744482.db2.gz IEFROYGJHMJOLR-UHFFFAOYSA-N 1 2 293.367 0.995 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCCC1=CCCCC1 ZINC000136066819 260923337 /nfs/dbraw/zinc/92/33/37/260923337.db2.gz JILVRAJDYDIOOE-UHFFFAOYSA-N 1 2 269.345 0.664 20 30 CCEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NC1CC1 ZINC000158152097 261160221 /nfs/dbraw/zinc/16/02/21/261160221.db2.gz BSSDJEZRIDZFHS-VIFPVBQESA-N 1 2 289.335 0.926 20 30 CCEDLO C=CC[NH+]1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000103493810 261284140 /nfs/dbraw/zinc/28/41/40/261284140.db2.gz OPPXBFBNOHYLJZ-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO C=CCN1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000103493810 261284142 /nfs/dbraw/zinc/28/41/42/261284142.db2.gz OPPXBFBNOHYLJZ-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177182768 261337382 /nfs/dbraw/zinc/33/73/82/261337382.db2.gz RBRMNNZBPWAEHA-NSHDSACASA-N 1 2 287.319 0.489 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177182768 261337384 /nfs/dbraw/zinc/33/73/84/261337384.db2.gz RBRMNNZBPWAEHA-NSHDSACASA-N 1 2 287.319 0.489 20 30 CCEDLO CC(C)(CNC(=O)C1(C#N)CCOCC1)[NH+]1CCOCC1 ZINC000109138276 261390253 /nfs/dbraw/zinc/39/02/53/261390253.db2.gz IWSRYSXACPZTPA-UHFFFAOYSA-N 1 2 295.383 0.534 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000354485763 262267086 /nfs/dbraw/zinc/26/70/86/262267086.db2.gz XYDWCBPLLUNCPU-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000354485763 262267087 /nfs/dbraw/zinc/26/70/87/262267087.db2.gz XYDWCBPLLUNCPU-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO Cc1cc(N2CCC3(CC2)NC(=O)N(C)C3=O)c(C#N)c[nH+]1 ZINC000521428382 262331078 /nfs/dbraw/zinc/33/10/78/262331078.db2.gz PKKHFTAOHQJFNP-UHFFFAOYSA-N 1 2 299.334 0.782 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354080132 262371486 /nfs/dbraw/zinc/37/14/86/262371486.db2.gz PWXVYZYVEJXCOD-UHFFFAOYSA-N 1 2 290.429 0.937 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338884666 262569166 /nfs/dbraw/zinc/56/91/66/262569166.db2.gz YNPFRMHMNJGJJZ-OLZOCXBDSA-N 1 2 292.383 0.347 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCc2cnnn2C)cc1 ZINC000289372952 263109780 /nfs/dbraw/zinc/10/97/80/263109780.db2.gz KHPRTGAJXRVPIO-UHFFFAOYSA-N 1 2 275.312 0.855 20 30 CCEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC(=O)N1 ZINC000296243085 263187859 /nfs/dbraw/zinc/18/78/59/263187859.db2.gz OXPYLZYPDSKWQF-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(=O)N1 ZINC000296243085 263187861 /nfs/dbraw/zinc/18/78/61/263187861.db2.gz OXPYLZYPDSKWQF-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000299175071 263233370 /nfs/dbraw/zinc/23/33/70/263233370.db2.gz WDRVSKUTSTTXRH-DTWKUNHWSA-N 1 2 252.318 0.455 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000299175071 263233368 /nfs/dbraw/zinc/23/33/68/263233368.db2.gz WDRVSKUTSTTXRH-DTWKUNHWSA-N 1 2 252.318 0.455 20 30 CCEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC#N ZINC000121207968 263292708 /nfs/dbraw/zinc/29/27/08/263292708.db2.gz MCFNTXPQLHYHAO-LLVKDONJSA-N 1 2 259.375 0.694 20 30 CCEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCC#N ZINC000121207968 263292709 /nfs/dbraw/zinc/29/27/09/263292709.db2.gz MCFNTXPQLHYHAO-LLVKDONJSA-N 1 2 259.375 0.694 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425294537 263302195 /nfs/dbraw/zinc/30/21/95/263302195.db2.gz NLEQNRVKXHMPAL-STQMWFEESA-N 1 2 270.373 0.398 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000342180344 263394469 /nfs/dbraw/zinc/39/44/69/263394469.db2.gz ANIKGQIWYCNMNI-CYBMUJFWSA-N 1 2 268.405 0.840 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328856953 263881430 /nfs/dbraw/zinc/88/14/30/263881430.db2.gz DCFAZMVGEYKYQF-VXGBXAGGSA-N 1 2 294.355 0.919 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)C[C@H]21 ZINC000328899763 263891548 /nfs/dbraw/zinc/89/15/48/263891548.db2.gz ZDOHDRNTMCVJBI-AAVRWANBSA-N 1 2 295.383 0.483 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)C[C@H]21 ZINC000328899763 263891550 /nfs/dbraw/zinc/89/15/50/263891550.db2.gz ZDOHDRNTMCVJBI-AAVRWANBSA-N 1 2 295.383 0.483 20 30 CCEDLO CC(C)(CNC(=O)NCCC(N)=O)[NH+]1CCOCC1 ZINC000330373696 263917161 /nfs/dbraw/zinc/91/71/61/263917161.db2.gz BMRHCIQKZOGCFH-UHFFFAOYSA-N 1 2 272.349 0.526 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000330739617 264037939 /nfs/dbraw/zinc/03/79/39/264037939.db2.gz ADVHBXOTWVAFOM-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000330739617 264037941 /nfs/dbraw/zinc/03/79/41/264037941.db2.gz ADVHBXOTWVAFOM-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330837899 264051575 /nfs/dbraw/zinc/05/15/75/264051575.db2.gz LESDNXLHIGENFL-AAEUAGOBSA-N 1 2 285.413 0.451 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330837899 264051577 /nfs/dbraw/zinc/05/15/77/264051577.db2.gz LESDNXLHIGENFL-AAEUAGOBSA-N 1 2 285.413 0.451 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000330877883 264060593 /nfs/dbraw/zinc/06/05/93/264060593.db2.gz GSWPDDBGIXTUBG-VIFPVBQESA-N 1 2 265.317 0.045 20 30 CCEDLO CC[C@H](COC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330884165 264062977 /nfs/dbraw/zinc/06/29/77/264062977.db2.gz KMESEHAYMXEEHQ-VXGBXAGGSA-N 1 2 272.393 0.161 20 30 CCEDLO CC[C@H](COC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330884165 264062978 /nfs/dbraw/zinc/06/29/78/264062978.db2.gz KMESEHAYMXEEHQ-VXGBXAGGSA-N 1 2 272.393 0.161 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCCC#N)C2)CC1 ZINC000330900264 264072513 /nfs/dbraw/zinc/07/25/13/264072513.db2.gz QJTJQQWSMUFUKM-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO NC(=O)C[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000330971867 264092515 /nfs/dbraw/zinc/09/25/15/264092515.db2.gz BNSJYWSXSNITJF-LBPRGKRZSA-N 1 2 298.387 0.870 20 30 CCEDLO CC(C)(CNC(=O)N1CC[C@@H](CCO)C1)[NH+]1CCOCC1 ZINC000330933081 264096444 /nfs/dbraw/zinc/09/64/44/264096444.db2.gz BOSRSUQAMNLQKP-ZDUSSCGKSA-N 1 2 299.415 0.716 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC1(CO)CCCC1 ZINC000331025625 264099781 /nfs/dbraw/zinc/09/97/81/264099781.db2.gz OOEDOOMBRUDFSS-UHFFFAOYSA-N 1 2 252.318 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000330987534 264103502 /nfs/dbraw/zinc/10/35/02/264103502.db2.gz RFDCXWHKSLSWHN-JTQLQIEISA-N 1 2 287.385 0.002 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000330987534 264103505 /nfs/dbraw/zinc/10/35/05/264103505.db2.gz RFDCXWHKSLSWHN-JTQLQIEISA-N 1 2 287.385 0.002 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)NCCC#N)CCO1 ZINC000331126893 264133272 /nfs/dbraw/zinc/13/32/72/264133272.db2.gz DTYDWYYNNTTZPD-UHFFFAOYSA-N 1 2 254.334 0.514 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)NCCC#N)CCO1 ZINC000331126893 264133274 /nfs/dbraw/zinc/13/32/74/264133274.db2.gz DTYDWYYNNTTZPD-UHFFFAOYSA-N 1 2 254.334 0.514 20 30 CCEDLO CC(C)(CNC(=O)NCCC#N)[NH+]1CCOCC1 ZINC000331126879 264133284 /nfs/dbraw/zinc/13/32/84/264133284.db2.gz DSNKVMXTDOYALE-UHFFFAOYSA-N 1 2 254.334 0.514 20 30 CCEDLO N#CCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000331157235 264142110 /nfs/dbraw/zinc/14/21/10/264142110.db2.gz QCZWFPRVYBZTTM-UHFFFAOYSA-N 1 2 292.343 0.455 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000331190919 264157160 /nfs/dbraw/zinc/15/71/60/264157160.db2.gz WQQNBBCIQDYRDI-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000331190919 264157162 /nfs/dbraw/zinc/15/71/62/264157162.db2.gz WQQNBBCIQDYRDI-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO Cc1cncc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000331247265 264179676 /nfs/dbraw/zinc/17/96/76/264179676.db2.gz VGXQXVQTVWIWRF-ZDUSSCGKSA-N 1 2 279.340 0.388 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331256319 264183072 /nfs/dbraw/zinc/18/30/72/264183072.db2.gz ZMSXHJIOLURWGF-GFCCVEGCSA-N 1 2 298.412 0.994 20 30 CCEDLO CNC(=O)C(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000331332123 264192119 /nfs/dbraw/zinc/19/21/19/264192119.db2.gz SEORPRGNIHIORR-UHFFFAOYSA-N 1 2 267.333 0.196 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000160235273 264236975 /nfs/dbraw/zinc/23/69/75/264236975.db2.gz KEPGRILDGKUKQS-UHFFFAOYSA-N 1 2 280.368 0.743 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000160235273 264236977 /nfs/dbraw/zinc/23/69/77/264236977.db2.gz KEPGRILDGKUKQS-UHFFFAOYSA-N 1 2 280.368 0.743 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189834936 264331951 /nfs/dbraw/zinc/33/19/51/264331951.db2.gz YEYGKMHXPVIBGR-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189834936 264331953 /nfs/dbraw/zinc/33/19/53/264331953.db2.gz YEYGKMHXPVIBGR-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)NCC)C1=O ZINC000281962170 264491567 /nfs/dbraw/zinc/49/15/67/264491567.db2.gz KNGFWCJZXPFXPQ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)NCC)C1=O ZINC000281962170 264491568 /nfs/dbraw/zinc/49/15/68/264491568.db2.gz KNGFWCJZXPFXPQ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000106331514 264927680 /nfs/dbraw/zinc/92/76/80/264927680.db2.gz DMERHHOJZMGIMP-GFCCVEGCSA-N 1 2 289.339 0.582 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359379916 266573466 /nfs/dbraw/zinc/57/34/66/266573466.db2.gz FCRPNROIEMJIPZ-NSHDSACASA-N 1 2 269.320 0.561 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359379916 266573467 /nfs/dbraw/zinc/57/34/67/266573467.db2.gz FCRPNROIEMJIPZ-NSHDSACASA-N 1 2 269.320 0.561 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362693349 267036648 /nfs/dbraw/zinc/03/66/48/267036648.db2.gz YHJFGHORKYUIFP-LBPRGKRZSA-N 1 2 287.385 0.026 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000519544273 267362619 /nfs/dbraw/zinc/36/26/19/267362619.db2.gz FIUJZDHORJUXCP-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000519544273 267362625 /nfs/dbraw/zinc/36/26/25/267362625.db2.gz FIUJZDHORJUXCP-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374560537 267802657 /nfs/dbraw/zinc/80/26/57/267802657.db2.gz OXMMTCMUQNSBOS-LBPRGKRZSA-N 1 2 281.356 0.547 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374560537 267802659 /nfs/dbraw/zinc/80/26/59/267802659.db2.gz OXMMTCMUQNSBOS-LBPRGKRZSA-N 1 2 281.356 0.547 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ncn1 ZINC000329425229 277382654 /nfs/dbraw/zinc/38/26/54/277382654.db2.gz FVWMCCYCOGZPAP-NXEZZACHSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ncn1 ZINC000329425229 277382655 /nfs/dbraw/zinc/38/26/55/277382655.db2.gz FVWMCCYCOGZPAP-NXEZZACHSA-N 1 2 293.327 0.046 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000346118334 277792299 /nfs/dbraw/zinc/79/22/99/277792299.db2.gz BLZQFSNQFRBGHS-KKUMJFAQSA-N 1 2 294.395 0.901 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cnc(C#N)cn1 ZINC000286321159 288719040 /nfs/dbraw/zinc/71/90/40/288719040.db2.gz KXQRRCBOYCMHEP-YPMHNXCESA-N 1 2 273.340 0.648 20 30 CCEDLO COC(=O)N1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000496886796 327933290 /nfs/dbraw/zinc/93/32/90/327933290.db2.gz CEDXMJBDAURFAL-BXUZGUMPSA-N 1 2 296.371 0.425 20 30 CCEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220513 327979664 /nfs/dbraw/zinc/97/96/64/327979664.db2.gz PSPUYRFAMOIDNK-IAQYHMDHSA-N 1 2 289.383 0.800 20 30 CCEDLO CCC(=O)N1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000563220997 327979809 /nfs/dbraw/zinc/97/98/09/327979809.db2.gz YGVJDSUZZJQLEL-SMDDNHRTSA-N 1 2 280.372 0.205 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000377341821 329012103 /nfs/dbraw/zinc/01/21/03/329012103.db2.gz FUMZXIIWFJSHER-JTQLQIEISA-N 1 2 253.327 0.900 20 30 CCEDLO CC1(C(N)=O)C[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000572838769 328095771 /nfs/dbraw/zinc/09/57/71/328095771.db2.gz MBAVGXDUQAOSAS-UHFFFAOYSA-N 1 2 297.318 0.915 20 30 CCEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000571288871 328098458 /nfs/dbraw/zinc/09/84/58/328098458.db2.gz JFVIVCJPZWJETO-GFCCVEGCSA-N 1 2 263.301 0.059 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451182055 328113157 /nfs/dbraw/zinc/11/31/57/328113157.db2.gz GOINQFOWWHHHNE-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451182055 328113158 /nfs/dbraw/zinc/11/31/58/328113158.db2.gz GOINQFOWWHHHNE-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO NC(COc1ccccc1)=[NH+]OC[C@H]1CCS(=O)(=O)C1 ZINC000278551960 328227152 /nfs/dbraw/zinc/22/71/52/328227152.db2.gz BOHLSGHMLXTQQM-LLVKDONJSA-N 1 2 298.364 0.789 20 30 CCEDLO CN(Cc1[nH+]ccn1C)Cc1cnc2c(C#N)cnn2c1 ZINC000583500236 328585247 /nfs/dbraw/zinc/58/52/47/328585247.db2.gz QVDJYLPGMWZINC-UHFFFAOYSA-N 1 2 281.323 0.966 20 30 CCEDLO COc1c(C)[nH+]c(C2CC2)nc1NCCn1cnc(C#N)n1 ZINC000583451114 327373885 /nfs/dbraw/zinc/37/38/85/327373885.db2.gz LJTJJPOVQLIAJS-UHFFFAOYSA-N 1 2 299.338 0.668 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115605128 328664137 /nfs/dbraw/zinc/66/41/37/328664137.db2.gz WAUHETJMHMZLPP-NWDGAFQWSA-N 1 2 298.350 0.451 20 30 CCEDLO O[C@@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000336426988 328753301 /nfs/dbraw/zinc/75/33/01/328753301.db2.gz PJNFGYSGUIDFEF-CHWSQXEVSA-N 1 2 251.713 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000024632004 329000985 /nfs/dbraw/zinc/00/09/85/329000985.db2.gz MOKGPUKVONNTKA-JTQLQIEISA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000024632004 329000986 /nfs/dbraw/zinc/00/09/86/329000986.db2.gz MOKGPUKVONNTKA-JTQLQIEISA-N 1 2 279.344 0.252 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CC(=O)NC3=O)CC2)cc1 ZINC000583701525 329093138 /nfs/dbraw/zinc/09/31/38/329093138.db2.gz RMWZSBTUSFFAQI-AWEZNQCLSA-N 1 2 298.346 0.091 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178730279 329200248 /nfs/dbraw/zinc/20/02/48/329200248.db2.gz BMMHJJPGPSJDKK-OLZOCXBDSA-N 1 2 267.373 0.084 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](CCO)CC1 ZINC000582858223 329277725 /nfs/dbraw/zinc/27/77/25/329277725.db2.gz ICPHSAYICVQNCL-UHFFFAOYSA-N 1 2 274.324 0.012 20 30 CCEDLO CCc1nnsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572431025 330076404 /nfs/dbraw/zinc/07/64/04/330076404.db2.gz DITHPMAJZALXQT-LLVKDONJSA-N 1 2 267.358 0.674 20 30 CCEDLO CCOC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515449 330212502 /nfs/dbraw/zinc/21/25/02/330212502.db2.gz BTFFWPMNQNQQDJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO CCOC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081515449 330212504 /nfs/dbraw/zinc/21/25/04/330212504.db2.gz BTFFWPMNQNQQDJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO CCOC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081515449 330212505 /nfs/dbraw/zinc/21/25/05/330212505.db2.gz BTFFWPMNQNQQDJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009967 330389889 /nfs/dbraw/zinc/38/98/89/330389889.db2.gz SLVFYXKYIOLYQQ-LLVKDONJSA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009967 330389890 /nfs/dbraw/zinc/38/98/90/330389890.db2.gz SLVFYXKYIOLYQQ-LLVKDONJSA-N 1 2 267.329 0.109 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751715 331041123 /nfs/dbraw/zinc/04/11/23/331041123.db2.gz VJKAFGQLICPXRQ-BYNQJWBRSA-N 1 2 283.372 0.121 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751715 331041124 /nfs/dbraw/zinc/04/11/24/331041124.db2.gz VJKAFGQLICPXRQ-BYNQJWBRSA-N 1 2 283.372 0.121 20 30 CCEDLO NC(=O)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000452092995 331053777 /nfs/dbraw/zinc/05/37/77/331053777.db2.gz XKICGMKANLEFMF-AWEZNQCLSA-N 1 2 276.311 0.753 20 30 CCEDLO NC(=O)C[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000452092995 331053778 /nfs/dbraw/zinc/05/37/78/331053778.db2.gz XKICGMKANLEFMF-AWEZNQCLSA-N 1 2 276.311 0.753 20 30 CCEDLO C=C(CC)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000454276535 331143405 /nfs/dbraw/zinc/14/34/05/331143405.db2.gz SMHIYVOWYNMDLG-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO CC[C@H](C(=O)N(CC#N)CCOC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457206498 331215852 /nfs/dbraw/zinc/21/58/52/331215852.db2.gz SIGFIJAJYDXECR-UONOGXRCSA-N 1 2 297.399 0.874 20 30 CCEDLO CC[C@H](C(=O)N(CC#N)CCOC)[N@H+]1CCO[C@@H](CC)C1 ZINC000457206498 331215853 /nfs/dbraw/zinc/21/58/53/331215853.db2.gz SIGFIJAJYDXECR-UONOGXRCSA-N 1 2 297.399 0.874 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488755269 332024391 /nfs/dbraw/zinc/02/43/91/332024391.db2.gz SCOTUHKMVSXIBN-CYBMUJFWSA-N 1 2 294.399 0.366 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488755269 332024392 /nfs/dbraw/zinc/02/43/92/332024392.db2.gz SCOTUHKMVSXIBN-CYBMUJFWSA-N 1 2 294.399 0.366 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000490593966 332094032 /nfs/dbraw/zinc/09/40/32/332094032.db2.gz IDQRQMWDSFIBMF-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000490593966 332094033 /nfs/dbraw/zinc/09/40/33/332094033.db2.gz IDQRQMWDSFIBMF-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000490676402 332102385 /nfs/dbraw/zinc/10/23/85/332102385.db2.gz HPPDJLJOQTXWHS-XHSDSOJGSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000490676402 332102386 /nfs/dbraw/zinc/10/23/86/332102386.db2.gz HPPDJLJOQTXWHS-XHSDSOJGSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000490711981 332106912 /nfs/dbraw/zinc/10/69/12/332106912.db2.gz BXLULWIBDYHALY-STQMWFEESA-N 1 2 289.383 0.226 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000490711981 332106915 /nfs/dbraw/zinc/10/69/15/332106915.db2.gz BXLULWIBDYHALY-STQMWFEESA-N 1 2 289.383 0.226 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000490842078 332120007 /nfs/dbraw/zinc/12/00/07/332120007.db2.gz YISMGLGZVPIGFF-UHFFFAOYSA-N 1 2 295.383 0.631 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000490842078 332120008 /nfs/dbraw/zinc/12/00/08/332120008.db2.gz YISMGLGZVPIGFF-UHFFFAOYSA-N 1 2 295.383 0.631 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491304110 332185922 /nfs/dbraw/zinc/18/59/22/332185922.db2.gz DDCPFFNRIHTAHW-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](F)CC)CC1 ZINC000491453502 332214521 /nfs/dbraw/zinc/21/45/21/332214521.db2.gz RXUDPPMCMORVGS-GFCCVEGCSA-N 1 2 255.337 0.102 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)C1CC1 ZINC000491632964 332254843 /nfs/dbraw/zinc/25/48/43/332254843.db2.gz PLGAJWIOHIKAHE-UHFFFAOYSA-N 1 2 292.379 0.886 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)C1CC1 ZINC000491632964 332254844 /nfs/dbraw/zinc/25/48/44/332254844.db2.gz PLGAJWIOHIKAHE-UHFFFAOYSA-N 1 2 292.379 0.886 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2occc2C)CC1 ZINC000491736406 332316586 /nfs/dbraw/zinc/31/65/86/332316586.db2.gz RAVHDXCIMJEYJC-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2occc2C)CC1 ZINC000491736406 332316588 /nfs/dbraw/zinc/31/65/88/332316588.db2.gz RAVHDXCIMJEYJC-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@H](C#N)C1 ZINC000492298758 332391387 /nfs/dbraw/zinc/39/13/87/332391387.db2.gz LDUQMIALMKAOBP-PGLGOXFNSA-N 1 2 260.297 0.667 20 30 CCEDLO C=CC[N@@H+](CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000189663577 333197609 /nfs/dbraw/zinc/19/76/09/333197609.db2.gz JKRWCGXSRYUQLY-JTQLQIEISA-N 1 2 283.340 0.943 20 30 CCEDLO C=CC[N@H+](CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000189663577 333197610 /nfs/dbraw/zinc/19/76/10/333197610.db2.gz JKRWCGXSRYUQLY-JTQLQIEISA-N 1 2 283.340 0.943 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccnc(C#N)n2)CC1 ZINC000575881136 335128017 /nfs/dbraw/zinc/12/80/17/335128017.db2.gz HJMONPJTDMLYGC-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2ccnc(C#N)n2)CC1 ZINC000575881136 335128018 /nfs/dbraw/zinc/12/80/18/335128018.db2.gz HJMONPJTDMLYGC-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000128395832 333666825 /nfs/dbraw/zinc/66/68/25/333666825.db2.gz SEOIODYUQCAZEI-UHFFFAOYSA-N 1 2 299.330 0.372 20 30 CCEDLO C#CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000074276880 334000725 /nfs/dbraw/zinc/00/07/25/334000725.db2.gz OXFQXYOYDOBKIW-OAHLLOKOSA-N 1 2 287.363 0.992 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000566245577 334638203 /nfs/dbraw/zinc/63/82/03/334638203.db2.gz ODRICJUIQGGVKA-UHFFFAOYSA-N 1 2 281.323 0.242 20 30 CCEDLO C=C(C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000156813681 334750707 /nfs/dbraw/zinc/75/07/07/334750707.db2.gz XHLLANUTOOUHEY-LBPRGKRZSA-N 1 2 294.399 0.557 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576707306 335237949 /nfs/dbraw/zinc/23/79/49/335237949.db2.gz LTWFBFGYXPOKEP-ZDUSSCGKSA-N 1 2 259.313 0.470 20 30 CCEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](C)C#N ZINC000183834720 335909217 /nfs/dbraw/zinc/90/92/17/335909217.db2.gz PHMCVSGNGOKYMM-LLVKDONJSA-N 1 2 277.372 0.814 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000581229130 336027796 /nfs/dbraw/zinc/02/77/96/336027796.db2.gz HACVUNITGSMQMC-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000581229130 336027797 /nfs/dbraw/zinc/02/77/97/336027797.db2.gz HACVUNITGSMQMC-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO Cc1nn(C)c(C)c1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581919667 336165987 /nfs/dbraw/zinc/16/59/87/336165987.db2.gz KQCINZWHJSPGGX-HNNXBMFYSA-N 1 2 291.399 0.930 20 30 CCEDLO COC(=O)c1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581947048 336174787 /nfs/dbraw/zinc/17/47/87/336174787.db2.gz LBFJZBKEUHCNOV-AWEZNQCLSA-N 1 2 290.323 0.442 20 30 CCEDLO Cc1cc(NC[C@@H](O)COCC2CC2)c(C#N)c[nH+]1 ZINC000425219274 534034030 /nfs/dbraw/zinc/03/40/30/534034030.db2.gz GQQJBUYUUAHOIS-CYBMUJFWSA-N 1 2 261.325 0.883 20 30 CCEDLO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)on1 ZINC000329242535 534052409 /nfs/dbraw/zinc/05/24/09/534052409.db2.gz SIYAAYCWPGJOIW-UHFFFAOYSA-N 1 2 296.327 0.002 20 30 CCEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330267459 534184037 /nfs/dbraw/zinc/18/40/37/534184037.db2.gz ICNQRFKCCDRSOK-FZMZJTMJSA-N 1 2 278.356 0.959 20 30 CCEDLO C=CC[C@H](CO)CNc1[nH+]cnc2c1OCCN2 ZINC000665710367 545104863 /nfs/dbraw/zinc/10/48/63/545104863.db2.gz MDLXACYUOFULDU-VIFPVBQESA-N 1 2 250.302 0.877 20 30 CCEDLO C=CC[C@H](CO)CNc1nc[nH+]c2c1OCCN2 ZINC000665710367 545104864 /nfs/dbraw/zinc/10/48/64/545104864.db2.gz MDLXACYUOFULDU-VIFPVBQESA-N 1 2 250.302 0.877 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115574102 526592192 /nfs/dbraw/zinc/59/21/92/526592192.db2.gz NCFJGTWUHXVLAL-SNVBAGLBSA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115574102 526592198 /nfs/dbraw/zinc/59/21/98/526592198.db2.gz NCFJGTWUHXVLAL-SNVBAGLBSA-N 1 2 255.318 0.109 20 30 CCEDLO CC(C)(C#N)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000344906988 527486066 /nfs/dbraw/zinc/48/60/66/527486066.db2.gz BHVKKVWFPGSMHV-UHFFFAOYSA-N 1 2 289.401 0.178 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448233 545177820 /nfs/dbraw/zinc/17/78/20/545177820.db2.gz MISMWWGWUUIEPB-NSHDSACASA-N 1 2 264.329 0.839 20 30 CCEDLO CCNC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425246583 528132269 /nfs/dbraw/zinc/13/22/69/528132269.db2.gz YDDPHZQNNLBGBH-GFCCVEGCSA-N 1 2 273.340 0.899 20 30 CCEDLO CC[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CCCO1 ZINC000329226982 529345705 /nfs/dbraw/zinc/34/57/05/529345705.db2.gz HTLLXQKBMXWJDI-CYBMUJFWSA-N 1 2 285.388 0.734 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000367009864 529346771 /nfs/dbraw/zinc/34/67/71/529346771.db2.gz OLUTYWCVLGWPLA-OAHLLOKOSA-N 1 2 294.399 0.549 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000367009864 529346773 /nfs/dbraw/zinc/34/67/73/529346773.db2.gz OLUTYWCVLGWPLA-OAHLLOKOSA-N 1 2 294.399 0.549 20 30 CCEDLO CCC[N@H+](CC#CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677818463 545373618 /nfs/dbraw/zinc/37/36/18/545373618.db2.gz OOMLGLCNIIYWHW-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO CCC[N@@H+](CC#CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677818463 545373619 /nfs/dbraw/zinc/37/36/19/545373619.db2.gz OOMLGLCNIIYWHW-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000682220491 545475726 /nfs/dbraw/zinc/47/57/26/545475726.db2.gz QHSWEJKPEDAQIV-OLZOCXBDSA-N 1 2 251.326 0.706 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000682220491 545475727 /nfs/dbraw/zinc/47/57/27/545475727.db2.gz QHSWEJKPEDAQIV-OLZOCXBDSA-N 1 2 251.326 0.706 20 30 CCEDLO C=CCCOCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683400171 545517969 /nfs/dbraw/zinc/51/79/69/545517969.db2.gz AYVRCJBUUQFDEH-UHFFFAOYSA-N 1 2 268.357 0.560 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nncn2c1 ZINC000777416969 581115022 /nfs/dbraw/zinc/11/50/22/581115022.db2.gz SFVQRIGOUBNXBH-LBPRGKRZSA-N 1 2 269.308 0.765 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nncn2c1 ZINC000777416969 581115025 /nfs/dbraw/zinc/11/50/25/581115025.db2.gz SFVQRIGOUBNXBH-LBPRGKRZSA-N 1 2 269.308 0.765 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(C)=O)n1 ZINC000789322829 581142363 /nfs/dbraw/zinc/14/23/63/581142363.db2.gz CKNKFMMOSBGUES-UHFFFAOYSA-N 1 2 263.341 0.944 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(C)=O)n1 ZINC000789322829 581142365 /nfs/dbraw/zinc/14/23/65/581142365.db2.gz CKNKFMMOSBGUES-UHFFFAOYSA-N 1 2 263.341 0.944 20 30 CCEDLO O=S(=O)(CCC[NH+]1CCOCC1)OCC(F)(F)F ZINC000779423610 581185466 /nfs/dbraw/zinc/18/54/66/581185466.db2.gz LXRXHYIZWYOKOT-UHFFFAOYSA-N 1 2 291.291 0.617 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)c1 ZINC000779564046 581191658 /nfs/dbraw/zinc/19/16/58/581191658.db2.gz QFSNMURNHPCGLU-CYBMUJFWSA-N 1 2 298.302 0.726 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2CO)CC1 ZINC000779779595 581204369 /nfs/dbraw/zinc/20/43/69/581204369.db2.gz DLQOHLGQQOMOIJ-UHFFFAOYSA-N 1 2 272.348 0.499 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-n3cncn3)c(F)c2)N1 ZINC000779797262 581206104 /nfs/dbraw/zinc/20/61/04/581206104.db2.gz DLVLNZLGIYOTNF-SECBINFHSA-N 1 2 287.302 0.678 20 30 CCEDLO C=C(CO)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000791317373 581214450 /nfs/dbraw/zinc/21/44/50/581214450.db2.gz NLDJWYQOUBJEET-HNNXBMFYSA-N 1 2 290.363 0.725 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)no2)CC1 ZINC000781422279 581267822 /nfs/dbraw/zinc/26/78/22/581267822.db2.gz VRFWSHXRSDYFGJ-UHFFFAOYSA-N 1 2 291.307 0.242 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000782165793 581290618 /nfs/dbraw/zinc/29/06/18/581290618.db2.gz CUWSHEDJTKCJIG-UHFFFAOYSA-N 1 2 269.308 0.120 20 30 CCEDLO C#CCOCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000783735680 581357393 /nfs/dbraw/zinc/35/73/93/581357393.db2.gz JZDIJKLZKSGHBY-LLVKDONJSA-N 1 2 250.302 0.221 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000728567475 581364671 /nfs/dbraw/zinc/36/46/71/581364671.db2.gz RRESVSRRVYKONH-UHFFFAOYSA-N 1 2 282.347 0.430 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000786982762 581455342 /nfs/dbraw/zinc/45/53/42/581455342.db2.gz WQUDAWXWJMJMRR-QWHCGFSZSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000786982762 581455344 /nfs/dbraw/zinc/45/53/44/581455344.db2.gz WQUDAWXWJMJMRR-QWHCGFSZSA-N 1 2 288.413 0.117 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC2(C1)OCCO2 ZINC000787259876 581462842 /nfs/dbraw/zinc/46/28/42/581462842.db2.gz KNFCSJGYOWLIMK-NSHDSACASA-N 1 2 279.340 0.386 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)OCCO2 ZINC000787259876 581462843 /nfs/dbraw/zinc/46/28/43/581462843.db2.gz KNFCSJGYOWLIMK-NSHDSACASA-N 1 2 279.340 0.386 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787514361 581471673 /nfs/dbraw/zinc/47/16/73/581471673.db2.gz RHUYDOGAMSOHOE-GFCCVEGCSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787514361 581471675 /nfs/dbraw/zinc/47/16/75/581471675.db2.gz RHUYDOGAMSOHOE-GFCCVEGCSA-N 1 2 286.397 0.330 20 30 CCEDLO Cc1[nH]c(C(=O)NCc2ccc(C(=O)NO)cc2)c[nH+]1 ZINC000788253447 581485954 /nfs/dbraw/zinc/48/59/54/581485954.db2.gz GNTLRKIOOWWIRP-UHFFFAOYSA-N 1 2 274.280 0.767 20 30 CCEDLO C#CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000733648318 581516465 /nfs/dbraw/zinc/51/64/65/581516465.db2.gz NXWYQOIESKRNPB-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000753900290 581564255 /nfs/dbraw/zinc/56/42/55/581564255.db2.gz MOKHGVPEOSYRTQ-UHFFFAOYSA-N 1 2 286.331 0.735 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000734452972 581564283 /nfs/dbraw/zinc/56/42/83/581564283.db2.gz RJKLVXSRSRCGGI-NSHDSACASA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000734452972 581564286 /nfs/dbraw/zinc/56/42/86/581564286.db2.gz RJKLVXSRSRCGGI-NSHDSACASA-N 1 2 266.341 0.542 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766934885 581588061 /nfs/dbraw/zinc/58/80/61/581588061.db2.gz NGZMJLADGQECLM-UHFFFAOYSA-N 1 2 283.335 0.992 20 30 CCEDLO COc1nc(N(C)C)sc1C=[NH+]N1CCN(C)CC1 ZINC000767010574 581591561 /nfs/dbraw/zinc/59/15/61/581591561.db2.gz JOBIJOBRPQILIC-UHFFFAOYSA-N 1 2 283.401 0.799 20 30 CCEDLO N#CCC[N@H+](CCC1OCCCO1)CCN1CCOCC1 ZINC000754664539 581603894 /nfs/dbraw/zinc/60/38/94/581603894.db2.gz JSCJGLJEJKWDHH-UHFFFAOYSA-N 1 2 297.399 0.687 20 30 CCEDLO N#CCC[N@@H+](CCC1OCCCO1)CCN1CCOCC1 ZINC000754664539 581603898 /nfs/dbraw/zinc/60/38/98/581603898.db2.gz JSCJGLJEJKWDHH-UHFFFAOYSA-N 1 2 297.399 0.687 20 30 CCEDLO N#CCCN(CCC1OCCCO1)CC[NH+]1CCOCC1 ZINC000754664539 581603901 /nfs/dbraw/zinc/60/39/01/581603901.db2.gz JSCJGLJEJKWDHH-UHFFFAOYSA-N 1 2 297.399 0.687 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000767546666 581618091 /nfs/dbraw/zinc/61/80/91/581618091.db2.gz UKPHBSBPVLFJLV-OKILXGFUSA-N 1 2 287.319 0.973 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000767546666 581618092 /nfs/dbraw/zinc/61/80/92/581618092.db2.gz UKPHBSBPVLFJLV-OKILXGFUSA-N 1 2 287.319 0.973 20 30 CCEDLO Nc1nc(Cl)c(C=[NH+]NCCCO)c(N2CCCC2)n1 ZINC000729933354 581624610 /nfs/dbraw/zinc/62/46/10/581624610.db2.gz YGBKDCHYSXXWMM-UHFFFAOYSA-N 1 2 298.778 0.618 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)CC ZINC000730098484 581645756 /nfs/dbraw/zinc/64/57/56/581645756.db2.gz IACJMHFJHWFJQW-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)CC ZINC000730098484 581645758 /nfs/dbraw/zinc/64/57/58/581645758.db2.gz IACJMHFJHWFJQW-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO CCOC(=O)[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758181834 581725005 /nfs/dbraw/zinc/72/50/05/581725005.db2.gz PTNWGIXPSYUBFI-ZDUSSCGKSA-N 1 2 289.335 0.953 20 30 CCEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758181834 581725009 /nfs/dbraw/zinc/72/50/09/581725009.db2.gz PTNWGIXPSYUBFI-ZDUSSCGKSA-N 1 2 289.335 0.953 20 30 CCEDLO C#CCCCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000758636497 581760693 /nfs/dbraw/zinc/76/06/93/581760693.db2.gz HQUAECPVDLZWMT-UHFFFAOYSA-N 1 2 267.373 0.363 20 30 CCEDLO C#CCCCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000758636497 581760696 /nfs/dbraw/zinc/76/06/96/581760696.db2.gz HQUAECPVDLZWMT-UHFFFAOYSA-N 1 2 267.373 0.363 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000742197629 581772395 /nfs/dbraw/zinc/77/23/95/581772395.db2.gz XEIDRESGCGVYPJ-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731845082 581783372 /nfs/dbraw/zinc/78/33/72/581783372.db2.gz XFTGNGPTIPPQAP-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731845082 581783374 /nfs/dbraw/zinc/78/33/74/581783374.db2.gz XFTGNGPTIPPQAP-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO O=S1(=O)CC[C@@H](NN=Cc2cccc3[nH+]ccn32)C1 ZINC000771095371 581791885 /nfs/dbraw/zinc/79/18/85/581791885.db2.gz ACFUZVKKUKNWLG-SNVBAGLBSA-N 1 2 278.337 0.445 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)[C@@H](C)CC ZINC000743483137 581814519 /nfs/dbraw/zinc/81/45/19/581814519.db2.gz XQUFTFLSZCFQOI-YDHLFZDLSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)[C@@H](C)CC ZINC000743483137 581814522 /nfs/dbraw/zinc/81/45/22/581814522.db2.gz XQUFTFLSZCFQOI-YDHLFZDLSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H]2CCOC2)CC1 ZINC000772109284 581843478 /nfs/dbraw/zinc/84/34/78/581843478.db2.gz AEILRDGWVHQKMX-ZDUSSCGKSA-N 1 2 279.336 0.480 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000745947081 581891756 /nfs/dbraw/zinc/89/17/56/581891756.db2.gz RLQSSXMUTDNXDD-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000745947081 581891757 /nfs/dbraw/zinc/89/17/57/581891757.db2.gz RLQSSXMUTDNXDD-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C#Cc3ccccc3)C[C@H]21 ZINC000761299235 581903623 /nfs/dbraw/zinc/90/36/23/581903623.db2.gz GMMNCDJQLBKYMK-CABCVRRESA-N 1 2 270.332 0.580 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C#Cc3ccccc3)C[C@H]21 ZINC000761299235 581903626 /nfs/dbraw/zinc/90/36/26/581903626.db2.gz GMMNCDJQLBKYMK-CABCVRRESA-N 1 2 270.332 0.580 20 30 CCEDLO C=C(C)CNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746546103 581918254 /nfs/dbraw/zinc/91/82/54/581918254.db2.gz ZDYQQCDPPZFESJ-LLVKDONJSA-N 1 2 254.403 0.026 20 30 CCEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@H](C)OC ZINC000747867600 581955614 /nfs/dbraw/zinc/95/56/14/581955614.db2.gz LEBFWZNFZKOPJD-JTQLQIEISA-N 1 2 255.318 0.720 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764200876 582036125 /nfs/dbraw/zinc/03/61/25/582036125.db2.gz BLCOAMIVWGLYTG-LBPRGKRZSA-N 1 2 267.373 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764200876 582036126 /nfs/dbraw/zinc/03/61/26/582036126.db2.gz BLCOAMIVWGLYTG-LBPRGKRZSA-N 1 2 267.373 0.643 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1CCCC)[C@@H]1CCCO1 ZINC000775797927 582039602 /nfs/dbraw/zinc/03/96/02/582039602.db2.gz GOXQVSPOBBJZNH-RYUDHWBXSA-N 1 2 263.345 0.744 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)[C@H]1CCCO1 ZINC000775804804 582040687 /nfs/dbraw/zinc/04/06/87/582040687.db2.gz CJWHPBGFVPXIGO-GHMZBOCLSA-N 1 2 263.345 0.699 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)[C@H]1CCCO1 ZINC000776000726 582048877 /nfs/dbraw/zinc/04/88/77/582048877.db2.gz MLYXEEPJBVLGHZ-QWHCGFSZSA-N 1 2 291.351 0.867 20 30 CCEDLO CS(=O)(=O)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000764705324 582062978 /nfs/dbraw/zinc/06/29/78/582062978.db2.gz UMPOOEAQCYTAIS-UHFFFAOYSA-N 1 2 264.310 0.755 20 30 CCEDLO CS(=O)(=O)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000764704375 582063265 /nfs/dbraw/zinc/06/32/65/582063265.db2.gz MZUCMTBKGTUCKQ-UHFFFAOYSA-N 1 2 267.354 0.798 20 30 CCEDLO CS(=O)(=O)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000764704375 582063266 /nfs/dbraw/zinc/06/32/66/582063266.db2.gz MZUCMTBKGTUCKQ-UHFFFAOYSA-N 1 2 267.354 0.798 20 30 CCEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000852100918 613113290 /nfs/dbraw/zinc/11/32/90/613113290.db2.gz KUXMYKGBXSABQQ-RNCFNFMXSA-N 1 2 262.361 0.972 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2[nH]cnc2C)C1 ZINC000957471134 612991364 /nfs/dbraw/zinc/99/13/64/612991364.db2.gz BASAEEHJXKOJQM-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)C1 ZINC000925609522 612947891 /nfs/dbraw/zinc/94/78/91/612947891.db2.gz VIBVHKWMDHOINK-LBPRGKRZSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000025505302 612950244 /nfs/dbraw/zinc/95/02/44/612950244.db2.gz AEKSBYIHWSLTEN-ZDUSSCGKSA-N 1 2 287.363 0.652 20 30 CCEDLO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)on1 ZINC000971211962 617184824 /nfs/dbraw/zinc/18/48/24/617184824.db2.gz VTLMALYDBURCMU-MNOVXSKESA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)on1 ZINC000971211962 617184826 /nfs/dbraw/zinc/18/48/26/617184826.db2.gz VTLMALYDBURCMU-MNOVXSKESA-N 1 2 292.339 0.876 20 30 CCEDLO C#CC1(O)CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000890521439 612954303 /nfs/dbraw/zinc/95/43/03/612954303.db2.gz FHMZVLLPKNAWTJ-UHFFFAOYSA-N 1 2 269.304 0.392 20 30 CCEDLO C#CCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881894062 613048107 /nfs/dbraw/zinc/04/81/07/613048107.db2.gz YAMLGVQUCQOKMI-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO C#CCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881894062 613048108 /nfs/dbraw/zinc/04/81/08/613048108.db2.gz YAMLGVQUCQOKMI-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000859219749 613050243 /nfs/dbraw/zinc/05/02/43/613050243.db2.gz HAAVATROLXIEMO-RYUDHWBXSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000859219749 613050244 /nfs/dbraw/zinc/05/02/44/613050244.db2.gz HAAVATROLXIEMO-RYUDHWBXSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000858532598 613063434 /nfs/dbraw/zinc/06/34/34/613063434.db2.gz NAFVHQAWYDTHAU-GFCCVEGCSA-N 1 2 264.329 0.300 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893674373 613064544 /nfs/dbraw/zinc/06/45/44/613064544.db2.gz ZZTFSGLSZNUZJL-NEPJUHHUSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893674373 613064546 /nfs/dbraw/zinc/06/45/46/613064546.db2.gz ZZTFSGLSZNUZJL-NEPJUHHUSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CC[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000885470422 613074899 /nfs/dbraw/zinc/07/48/99/613074899.db2.gz FXAXTNYJWJQEFE-LBPRGKRZSA-N 1 2 267.354 0.558 20 30 CCEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CCOCC1 ZINC000856099663 613092356 /nfs/dbraw/zinc/09/23/56/613092356.db2.gz FOKPYVFEFMADTJ-CYBMUJFWSA-N 1 2 264.369 0.873 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000847309473 613104195 /nfs/dbraw/zinc/10/41/95/613104195.db2.gz NYSMEVKYVRPFPV-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000847309473 613104198 /nfs/dbraw/zinc/10/41/98/613104198.db2.gz NYSMEVKYVRPFPV-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCC#N ZINC000819269616 613969927 /nfs/dbraw/zinc/96/99/27/613969927.db2.gz LOTSZZLDNQHWPK-UHFFFAOYSA-N 1 2 276.358 0.246 20 30 CCEDLO C#CCCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900868903 612978720 /nfs/dbraw/zinc/97/87/20/612978720.db2.gz CBWUZARXMJONIM-QBFSEMIESA-N 1 2 250.342 0.795 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000834709627 614324418 /nfs/dbraw/zinc/32/44/18/614324418.db2.gz TZRJBGYGISMUIR-CYBMUJFWSA-N 1 2 252.358 0.825 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000801930500 617297446 /nfs/dbraw/zinc/29/74/46/617297446.db2.gz QPXIFKSGVCIPDY-ZDUSSCGKSA-N 1 2 288.351 0.768 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000931147279 612952610 /nfs/dbraw/zinc/95/26/10/612952610.db2.gz XBLSVVWZYSODEI-UHFFFAOYSA-N 1 2 297.358 0.894 20 30 CCEDLO C#CC1(O)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000890526600 612959773 /nfs/dbraw/zinc/95/97/73/612959773.db2.gz QFXFUNSQIDIGJY-UHFFFAOYSA-N 1 2 255.277 0.463 20 30 CCEDLO C#CC1(O)C[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000934449278 612960514 /nfs/dbraw/zinc/96/05/14/612960514.db2.gz VIIRBVKHRAYRNU-UHFFFAOYSA-N 1 2 251.326 0.600 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807281219 612967457 /nfs/dbraw/zinc/96/74/57/612967457.db2.gz QLDZZVJUTDMUOR-ZDUSSCGKSA-N 1 2 287.319 0.204 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807281216 612967902 /nfs/dbraw/zinc/96/79/02/612967902.db2.gz QLDZZVJUTDMUOR-CYBMUJFWSA-N 1 2 287.319 0.204 20 30 CCEDLO C#CCC1([NH2+]CC(=O)N=[S@](C)(=O)N(C)C)CCC1 ZINC000933294396 612970484 /nfs/dbraw/zinc/97/04/84/612970484.db2.gz JEFICQIXWSCWMB-SFHVURJKSA-N 1 2 271.386 0.623 20 30 CCEDLO C#CCOCCNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000753229546 612988475 /nfs/dbraw/zinc/98/84/75/612988475.db2.gz XQJPRGDWEKRWPB-OAHLLOKOSA-N 1 2 296.411 0.889 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000856389075 612988566 /nfs/dbraw/zinc/98/85/66/612988566.db2.gz BDCVFFHTMKRPRC-ZDUSSCGKSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000853619842 612989221 /nfs/dbraw/zinc/98/92/21/612989221.db2.gz LMYWYQXOMAAEOV-OAHLLOKOSA-N 1 2 293.367 0.636 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000853619842 612989222 /nfs/dbraw/zinc/98/92/22/612989222.db2.gz LMYWYQXOMAAEOV-OAHLLOKOSA-N 1 2 293.367 0.636 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(=O)n(C)o2)C1 ZINC000949975116 612991795 /nfs/dbraw/zinc/99/17/95/612991795.db2.gz ZFLYXCSIJMPNMS-UHFFFAOYSA-N 1 2 277.324 0.148 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(OC)n2)C1 ZINC000950997289 612992938 /nfs/dbraw/zinc/99/29/38/612992938.db2.gz LNFXVJXHAAQDMI-UHFFFAOYSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000822213635 612995725 /nfs/dbraw/zinc/99/57/25/612995725.db2.gz TXECIEKWEDESPO-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC1 ZINC000906483413 613010446 /nfs/dbraw/zinc/01/04/46/613010446.db2.gz HVXSIEPKYXJBCR-MRVWCRGKSA-N 1 2 260.337 0.379 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913348406 613018868 /nfs/dbraw/zinc/01/88/68/613018868.db2.gz MZMWIKZOJMJWKG-ZQHYZAEZSA-N 1 2 294.395 0.810 20 30 CCEDLO C#CC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927654447 613048719 /nfs/dbraw/zinc/04/87/19/613048719.db2.gz SJJLLRBMOSDWSW-UWVGGRQHSA-N 1 2 258.281 0.142 20 30 CCEDLO C#CC[C@H](COC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913348223 613059556 /nfs/dbraw/zinc/05/95/56/613059556.db2.gz JKDUEEGXDRCDNI-QLKUMGTLSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000863806339 613065452 /nfs/dbraw/zinc/06/54/52/613065452.db2.gz HMENDQYCMYMBOB-IJLUTSLNSA-N 1 2 261.325 0.678 20 30 CCEDLO C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C1CC1 ZINC000925596820 613067919 /nfs/dbraw/zinc/06/79/19/613067919.db2.gz TXOFLVYEVJTYPV-ZDUSSCGKSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000888038198 613073397 /nfs/dbraw/zinc/07/33/97/613073397.db2.gz PKPWBSLOHLMTJD-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000888038198 613073399 /nfs/dbraw/zinc/07/33/99/613073399.db2.gz PKPWBSLOHLMTJD-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000820394902 613081089 /nfs/dbraw/zinc/08/10/89/613081089.db2.gz PZSYJEQPLZYCJB-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875723638 613081344 /nfs/dbraw/zinc/08/13/44/613081344.db2.gz OUMLWPPBEYGXEX-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875723638 613081346 /nfs/dbraw/zinc/08/13/46/613081346.db2.gz OUMLWPPBEYGXEX-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCOCC1 ZINC000869288699 613090709 /nfs/dbraw/zinc/09/07/09/613090709.db2.gz UFAINTCDJDUAPL-NHZBNJEXSA-N 1 2 292.379 0.419 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000823163785 613094707 /nfs/dbraw/zinc/09/47/07/613094707.db2.gz NPMIFSAZRIDKJP-CQSZACIVSA-N 1 2 288.351 0.837 20 30 CCEDLO C#CC[N@H+](C1CSC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000878913938 613098257 /nfs/dbraw/zinc/09/82/57/613098257.db2.gz HHEXPTCVBQYUBY-AWEZNQCLSA-N 1 2 294.420 0.817 20 30 CCEDLO C#CC[N@@H+](C1CSC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000878913938 613098259 /nfs/dbraw/zinc/09/82/59/613098259.db2.gz HHEXPTCVBQYUBY-AWEZNQCLSA-N 1 2 294.420 0.817 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000847284439 613104928 /nfs/dbraw/zinc/10/49/28/613104928.db2.gz IJAWNKXGUZLIES-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000819702296 613106715 /nfs/dbraw/zinc/10/67/15/613106715.db2.gz XRPCQQQEZVCKOB-UHFFFAOYSA-N 1 2 284.323 0.760 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000819702296 613106716 /nfs/dbraw/zinc/10/67/16/613106716.db2.gz XRPCQQQEZVCKOB-UHFFFAOYSA-N 1 2 284.323 0.760 20 30 CCEDLO C#C[C@@](C)(CC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868629587 613112482 /nfs/dbraw/zinc/11/24/82/613112482.db2.gz KSYYBYBDVXYUEK-UZYOAWRESA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C\c3ccco3)CC2)C1 ZINC000941288310 613114528 /nfs/dbraw/zinc/11/45/28/613114528.db2.gz JJJNKGGISFMGJL-WAYWQWQTSA-N 1 2 299.374 0.754 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@]3(C)CC)CC2)C1 ZINC000941622828 613114961 /nfs/dbraw/zinc/11/49/61/613114961.db2.gz OBVTYDQAXCNUOR-RDJZCZTQSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)on3)CC2)C1 ZINC000941301250 613115794 /nfs/dbraw/zinc/11/57/94/613115794.db2.gz RDJLKRUJTGEOAE-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000820394441 613117457 /nfs/dbraw/zinc/11/74/57/613117457.db2.gz KTQZNXTWAWAPOU-SDDRHHMPSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000820394441 613117458 /nfs/dbraw/zinc/11/74/58/613117458.db2.gz KTQZNXTWAWAPOU-SDDRHHMPSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812020510 613121130 /nfs/dbraw/zinc/12/11/30/613121130.db2.gz CYUQGDQSWCCZPD-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812020510 613121131 /nfs/dbraw/zinc/12/11/31/613121131.db2.gz CYUQGDQSWCCZPD-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000928653752 613136723 /nfs/dbraw/zinc/13/67/23/613136723.db2.gz ZBVBCHBXUZZRRH-LBPRGKRZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000823163783 613137855 /nfs/dbraw/zinc/13/78/55/613137855.db2.gz NPMIFSAZRIDKJP-AWEZNQCLSA-N 1 2 288.351 0.837 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000981542756 613150154 /nfs/dbraw/zinc/15/01/54/613150154.db2.gz YLTRIAKUIXWLQH-UHFFFAOYSA-N 1 2 285.347 0.793 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000981542756 613150155 /nfs/dbraw/zinc/15/01/55/613150155.db2.gz YLTRIAKUIXWLQH-UHFFFAOYSA-N 1 2 285.347 0.793 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000848493681 613158744 /nfs/dbraw/zinc/15/87/44/613158744.db2.gz PHZJTBIBRDFCNR-FZMZJTMJSA-N 1 2 279.340 0.246 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000848493681 613158745 /nfs/dbraw/zinc/15/87/45/613158745.db2.gz PHZJTBIBRDFCNR-FZMZJTMJSA-N 1 2 279.340 0.246 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)cc1 ZINC000981731009 613168600 /nfs/dbraw/zinc/16/86/00/613168600.db2.gz WSIPFQONCZNXNJ-UHFFFAOYSA-N 1 2 299.374 0.562 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)cc1 ZINC000981731009 613168601 /nfs/dbraw/zinc/16/86/01/613168601.db2.gz WSIPFQONCZNXNJ-UHFFFAOYSA-N 1 2 299.374 0.562 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CSc2n[nH]c(C)n2)C1 ZINC000923575346 613182381 /nfs/dbraw/zinc/18/23/81/613182381.db2.gz YCUUHKKKUDPZNR-NSHDSACASA-N 1 2 293.396 0.419 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CSc2n[nH]c(C)n2)C1 ZINC000923575346 613182382 /nfs/dbraw/zinc/18/23/82/613182382.db2.gz YCUUHKKKUDPZNR-NSHDSACASA-N 1 2 293.396 0.419 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000923556741 613189600 /nfs/dbraw/zinc/18/96/00/613189600.db2.gz IDBSUNVRIACNSY-OLZOCXBDSA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000923556741 613189601 /nfs/dbraw/zinc/18/96/01/613189601.db2.gz IDBSUNVRIACNSY-OLZOCXBDSA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1coc(CC)n1 ZINC000836984335 613200145 /nfs/dbraw/zinc/20/01/45/613200145.db2.gz NMUDQCSNXCAEGM-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1coc(CC)n1 ZINC000836984335 613200147 /nfs/dbraw/zinc/20/01/47/613200147.db2.gz NMUDQCSNXCAEGM-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000855260994 613200840 /nfs/dbraw/zinc/20/08/40/613200840.db2.gz FCEDUTOPMLEUFK-STQMWFEESA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000855260994 613200842 /nfs/dbraw/zinc/20/08/42/613200842.db2.gz FCEDUTOPMLEUFK-STQMWFEESA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ncnn2c1 ZINC000839800349 613203382 /nfs/dbraw/zinc/20/33/82/613203382.db2.gz SAYWUAPFCBCZSX-LBPRGKRZSA-N 1 2 269.308 0.765 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ncnn2c1 ZINC000839800349 613203383 /nfs/dbraw/zinc/20/33/83/613203383.db2.gz SAYWUAPFCBCZSX-LBPRGKRZSA-N 1 2 269.308 0.765 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(C(N)=O)o2)CC1 ZINC000827519010 613204402 /nfs/dbraw/zinc/20/44/02/613204402.db2.gz HNQJAGMAVUQFQN-XQRVVYSFSA-N 1 2 287.319 0.169 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000872557898 613209258 /nfs/dbraw/zinc/20/92/58/613209258.db2.gz QSZVPIDKJLECIZ-AWEZNQCLSA-N 1 2 276.384 0.485 20 30 CCEDLO C#Cc1cccnc1NCC[NH+]1CCN(C(C)=O)CC1 ZINC000853161386 613209326 /nfs/dbraw/zinc/20/93/26/613209326.db2.gz QHFBJZSJIINTCQ-UHFFFAOYSA-N 1 2 272.352 0.639 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC000949362546 613210415 /nfs/dbraw/zinc/21/04/15/613210415.db2.gz QWYQMVHIURPPHI-LBPRGKRZSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC000949362546 613210419 /nfs/dbraw/zinc/21/04/19/613210419.db2.gz QWYQMVHIURPPHI-LBPRGKRZSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532436 613211160 /nfs/dbraw/zinc/21/11/60/613211160.db2.gz RJOZXMJZMQNLNN-AWEZNQCLSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532436 613211162 /nfs/dbraw/zinc/21/11/62/613211162.db2.gz RJOZXMJZMQNLNN-AWEZNQCLSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972205060 613212164 /nfs/dbraw/zinc/21/21/64/613212164.db2.gz XJNCMPADJGMGNV-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972205060 613212166 /nfs/dbraw/zinc/21/21/66/613212166.db2.gz XJNCMPADJGMGNV-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972362798 613212296 /nfs/dbraw/zinc/21/22/96/613212296.db2.gz UIXUZQKXOXMBHI-GOEBONIOSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972362798 613212298 /nfs/dbraw/zinc/21/22/98/613212298.db2.gz UIXUZQKXOXMBHI-GOEBONIOSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972307067 613212488 /nfs/dbraw/zinc/21/24/88/613212488.db2.gz CDSRJJPMMBPEJO-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972307067 613212489 /nfs/dbraw/zinc/21/24/89/613212489.db2.gz CDSRJJPMMBPEJO-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO CC(=CC(=O)NC1=NO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000901250409 613235442 /nfs/dbraw/zinc/23/54/42/613235442.db2.gz RHLHGFXEYKFKLI-BRNRAETOSA-N 1 2 267.329 0.503 20 30 CCEDLO C=C(C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000821411976 613281988 /nfs/dbraw/zinc/28/19/88/613281988.db2.gz IELKYECBRPXACQ-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)[C@H]2CCOC2)CC1 ZINC000949483529 613318845 /nfs/dbraw/zinc/31/88/45/613318845.db2.gz GGYCFKJNRNSNRX-UONOGXRCSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncc(OC)n2)CC1 ZINC000951206565 613321763 /nfs/dbraw/zinc/32/17/63/613321763.db2.gz ROBPBHCTHZOKOA-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000815116303 613325922 /nfs/dbraw/zinc/32/59/22/613325922.db2.gz IHOSSMZYSYCMRD-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000815116303 613325923 /nfs/dbraw/zinc/32/59/23/613325923.db2.gz IHOSSMZYSYCMRD-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440270 613326574 /nfs/dbraw/zinc/32/65/74/613326574.db2.gz UMDRZPKBXARHFS-GHMZBOCLSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440270 613326575 /nfs/dbraw/zinc/32/65/75/613326575.db2.gz UMDRZPKBXARHFS-GHMZBOCLSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)CONC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854217406 613352820 /nfs/dbraw/zinc/35/28/20/613352820.db2.gz MWRVHOBCVWDFBV-LBPRGKRZSA-N 1 2 269.345 0.610 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854217464 613353308 /nfs/dbraw/zinc/35/33/08/613353308.db2.gz NYJZOFBZMUVQQI-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854217464 613353309 /nfs/dbraw/zinc/35/33/09/613353309.db2.gz NYJZOFBZMUVQQI-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000883630765 613354936 /nfs/dbraw/zinc/35/49/36/613354936.db2.gz CORATDNBUDGMJJ-NEPJUHHUSA-N 1 2 278.356 0.824 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000883271212 613357550 /nfs/dbraw/zinc/35/75/50/613357550.db2.gz IEDDAAVPPQFJNJ-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000883271212 613357551 /nfs/dbraw/zinc/35/75/51/613357551.db2.gz IEDDAAVPPQFJNJ-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC000916716445 613358789 /nfs/dbraw/zinc/35/87/89/613358789.db2.gz NABFYQJGJZONHG-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000849964289 613359586 /nfs/dbraw/zinc/35/95/86/613359586.db2.gz JNROTXUKOZJZPM-JSGCOSHPSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000849964289 613359587 /nfs/dbraw/zinc/35/95/87/613359587.db2.gz JNROTXUKOZJZPM-JSGCOSHPSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867998124 613361992 /nfs/dbraw/zinc/36/19/92/613361992.db2.gz PRDIFUCRJJFTOW-BVWQNDCPSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2N)C1 ZINC000969540526 613372697 /nfs/dbraw/zinc/37/26/97/613372697.db2.gz SOXIMTVYSMKNED-VIFPVBQESA-N 1 2 297.790 0.805 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccnc2N)C1 ZINC000969419322 613372701 /nfs/dbraw/zinc/37/27/01/613372701.db2.gz CSUJRQYTXTWGJW-VIFPVBQESA-N 1 2 295.774 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC000981116129 613373357 /nfs/dbraw/zinc/37/33/57/613373357.db2.gz JKACLWKAZYURSF-UHFFFAOYSA-N 1 2 297.790 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC000981116129 613373358 /nfs/dbraw/zinc/37/33/58/613373358.db2.gz JKACLWKAZYURSF-UHFFFAOYSA-N 1 2 297.790 0.942 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897650754 613402873 /nfs/dbraw/zinc/40/28/73/613402873.db2.gz NTNGXNMXTZAPPC-NSHDSACASA-N 1 2 251.330 0.980 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)OC)CC1 ZINC000877937772 613410490 /nfs/dbraw/zinc/41/04/90/613410490.db2.gz RQFHRLRBMRLXDX-LLVKDONJSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000912446164 613417594 /nfs/dbraw/zinc/41/75/94/613417594.db2.gz QOVUBARAHGKMLX-UHFFFAOYSA-N 1 2 275.352 0.832 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870153893 613450590 /nfs/dbraw/zinc/45/05/90/613450590.db2.gz VVHMUKWGYSJZOE-ZIAGYGMSSA-N 1 2 276.336 0.715 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC000957628828 613563139 /nfs/dbraw/zinc/56/31/39/613563139.db2.gz BKCHPYSXJYJCDS-UHFFFAOYSA-N 1 2 274.368 0.737 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972204699 613570499 /nfs/dbraw/zinc/57/04/99/613570499.db2.gz VDSOSOPUFOVMQI-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972204699 613570500 /nfs/dbraw/zinc/57/05/00/613570500.db2.gz VDSOSOPUFOVMQI-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298948 613587712 /nfs/dbraw/zinc/58/77/12/613587712.db2.gz LRSJMXJTGWYGOP-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298948 613587714 /nfs/dbraw/zinc/58/77/14/613587714.db2.gz LRSJMXJTGWYGOP-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC000947342997 613597080 /nfs/dbraw/zinc/59/70/80/613597080.db2.gz MRXNKIXDGZDIJY-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC000947342997 613597082 /nfs/dbraw/zinc/59/70/82/613597082.db2.gz MRXNKIXDGZDIJY-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2(C)CN(C(=O)OC)C2)nn1 ZINC000894542231 613598926 /nfs/dbraw/zinc/59/89/26/613598926.db2.gz IFSVSKPUNLYACW-UHFFFAOYSA-N 1 2 279.344 0.785 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](C)COC ZINC000853604779 613605679 /nfs/dbraw/zinc/60/56/79/613605679.db2.gz ILWNPSWVQOBQPL-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](C)COC ZINC000853604779 613605680 /nfs/dbraw/zinc/60/56/80/613605680.db2.gz ILWNPSWVQOBQPL-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000950457349 613653731 /nfs/dbraw/zinc/65/37/31/613653731.db2.gz CPJXZCKWXJXVSC-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000957461495 613653795 /nfs/dbraw/zinc/65/37/95/613653795.db2.gz VXZDNWCWEDBJQA-LBPRGKRZSA-N 1 2 280.372 0.248 20 30 CCEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C(N)=O)n(C)c1 ZINC000848419503 613655080 /nfs/dbraw/zinc/65/50/80/613655080.db2.gz VQWLYPXXQLGXCG-UHFFFAOYSA-N 1 2 288.355 0.724 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000970734944 613663275 /nfs/dbraw/zinc/66/32/75/613663275.db2.gz JUVRHPCPLNQJRX-MNOVXSKESA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000970734944 613663277 /nfs/dbraw/zinc/66/32/77/613663277.db2.gz JUVRHPCPLNQJRX-MNOVXSKESA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2nccn2C)CC1 ZINC000949427901 613708063 /nfs/dbraw/zinc/70/80/63/613708063.db2.gz FGHVWASJHDDPAC-UHFFFAOYSA-N 1 2 262.357 0.683 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC000957639435 613709416 /nfs/dbraw/zinc/70/94/16/613709416.db2.gz HEJFGJTXQZMALK-UHFFFAOYSA-N 1 2 290.367 0.672 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC1 ZINC000948619590 613710728 /nfs/dbraw/zinc/71/07/28/613710728.db2.gz NJXDORHWEBMPLP-GFCCVEGCSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC000957104697 613712444 /nfs/dbraw/zinc/71/24/44/613712444.db2.gz FEQOPUOEFQBDEU-HNNXBMFYSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000949178649 613712756 /nfs/dbraw/zinc/71/27/56/613712756.db2.gz ZTDMUWBETWLGOO-LBPRGKRZSA-N 1 2 280.372 0.107 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@](O)(C(F)F)C2)C1=O ZINC000840119848 613720664 /nfs/dbraw/zinc/72/06/64/613720664.db2.gz USIFQYCICHBJDM-LBPRGKRZSA-N 1 2 275.299 0.569 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@](O)(C(F)F)C2)C1=O ZINC000840119848 613720669 /nfs/dbraw/zinc/72/06/69/613720669.db2.gz USIFQYCICHBJDM-LBPRGKRZSA-N 1 2 275.299 0.569 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972281757 613723453 /nfs/dbraw/zinc/72/34/53/613723453.db2.gz LTBWZJHKDPONLG-OCCSQVGLSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972281757 613723456 /nfs/dbraw/zinc/72/34/56/613723456.db2.gz LTBWZJHKDPONLG-OCCSQVGLSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426952 613725613 /nfs/dbraw/zinc/72/56/13/613725613.db2.gz XNDSUNFTMWDIFT-ZBCRRDGASA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426952 613725615 /nfs/dbraw/zinc/72/56/15/613725615.db2.gz XNDSUNFTMWDIFT-ZBCRRDGASA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972281755 613726206 /nfs/dbraw/zinc/72/62/06/613726206.db2.gz LTBWZJHKDPONLG-GXTWGEPZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972281755 613726207 /nfs/dbraw/zinc/72/62/07/613726207.db2.gz LTBWZJHKDPONLG-GXTWGEPZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931324013 613845080 /nfs/dbraw/zinc/84/50/80/613845080.db2.gz VMYPYVHDHKWJCR-UHFFFAOYSA-N 1 2 279.340 0.426 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931324013 613845082 /nfs/dbraw/zinc/84/50/82/613845082.db2.gz VMYPYVHDHKWJCR-UHFFFAOYSA-N 1 2 279.340 0.426 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933665759 613845811 /nfs/dbraw/zinc/84/58/11/613845811.db2.gz ICTSEMDTSIJGJB-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933665759 613845812 /nfs/dbraw/zinc/84/58/12/613845812.db2.gz ICTSEMDTSIJGJB-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC1CC1 ZINC000884328873 613877304 /nfs/dbraw/zinc/87/73/04/613877304.db2.gz ZSXJRRLQWDAYIY-NSHDSACASA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1=CCCOC1 ZINC000884406044 613877316 /nfs/dbraw/zinc/87/73/16/613877316.db2.gz KLISZIJNCABIFZ-LBPRGKRZSA-N 1 2 282.340 0.238 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC(C)(C)C1 ZINC000884143700 613877737 /nfs/dbraw/zinc/87/77/37/613877737.db2.gz OGCXKHIZUFKHAH-JTQLQIEISA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCS1 ZINC000884463974 613878105 /nfs/dbraw/zinc/87/81/05/613878105.db2.gz YNQYUFMLPGNQLD-MNOVXSKESA-N 1 2 286.397 0.835 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCSC ZINC000884068699 613878188 /nfs/dbraw/zinc/87/81/88/613878188.db2.gz BHSHILYVZXYVSZ-VIFPVBQESA-N 1 2 260.359 0.302 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nccs1 ZINC000884195243 613878527 /nfs/dbraw/zinc/87/85/27/613878527.db2.gz GXBIYZFXCPSPOJ-QMMMGPOBSA-N 1 2 269.326 0.206 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844139453 613885415 /nfs/dbraw/zinc/88/54/15/613885415.db2.gz OISSMMFYZRVMDT-LLVKDONJSA-N 1 2 297.380 0.163 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc(C(=O)OC)no1 ZINC000877194533 613885776 /nfs/dbraw/zinc/88/57/76/613885776.db2.gz QBDHQSFWICATKP-UHFFFAOYSA-N 1 2 288.325 0.152 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854830696 614327017 /nfs/dbraw/zinc/32/70/17/614327017.db2.gz YONDFVAGSUIASM-BETUJISGSA-N 1 2 250.342 0.625 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854830696 614327019 /nfs/dbraw/zinc/32/70/19/614327019.db2.gz YONDFVAGSUIASM-BETUJISGSA-N 1 2 250.342 0.625 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902042 615061603 /nfs/dbraw/zinc/06/16/03/615061603.db2.gz GPDNMZSFJHEIQL-QWHCGFSZSA-N 1 2 295.383 0.832 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902042 615061604 /nfs/dbraw/zinc/06/16/04/615061604.db2.gz GPDNMZSFJHEIQL-QWHCGFSZSA-N 1 2 295.383 0.832 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccn2)C1 ZINC000909031203 615185804 /nfs/dbraw/zinc/18/58/04/615185804.db2.gz DMIXALVVFJTFJY-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccn2)C1 ZINC000909031203 615185806 /nfs/dbraw/zinc/18/58/06/615185806.db2.gz DMIXALVVFJTFJY-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CCN1CC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000853680036 615237554 /nfs/dbraw/zinc/23/75/54/615237554.db2.gz USWBDAMOGVJGRV-CYBMUJFWSA-N 1 2 289.335 0.879 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804089 615327444 /nfs/dbraw/zinc/32/74/44/615327444.db2.gz JFWGTMYAHYXZKI-UONOGXRCSA-N 1 2 272.352 0.768 20 30 CCEDLO CC[N@H+]1CC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804089 615327448 /nfs/dbraw/zinc/32/74/48/615327448.db2.gz JFWGTMYAHYXZKI-UONOGXRCSA-N 1 2 272.352 0.768 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019444 615384119 /nfs/dbraw/zinc/38/41/19/615384119.db2.gz UQNXWYGQGMJDOV-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019444 615384120 /nfs/dbraw/zinc/38/41/20/615384120.db2.gz UQNXWYGQGMJDOV-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000925586037 615477803 /nfs/dbraw/zinc/47/78/03/615477803.db2.gz RPVIKOODPHYTRV-QWHCGFSZSA-N 1 2 296.371 0.031 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C#N ZINC000921881992 615478238 /nfs/dbraw/zinc/47/82/38/615478238.db2.gz YHUFCOLIWJKRHL-RYUDHWBXSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nccnc1C#N ZINC000872772228 615569571 /nfs/dbraw/zinc/56/95/71/615569571.db2.gz RBYGJLLRGOGHOW-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1nccnc1C#N ZINC000872772228 615569572 /nfs/dbraw/zinc/56/95/72/615569572.db2.gz RBYGJLLRGOGHOW-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CCn1c[nH+]c2c1CCN(CC(=O)NCCC#N)C2 ZINC000933264115 615629004 /nfs/dbraw/zinc/62/90/04/615629004.db2.gz UTPKPRWPDPRDDW-UHFFFAOYSA-N 1 2 261.329 0.291 20 30 CCEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935400919 615704557 /nfs/dbraw/zinc/70/45/57/615704557.db2.gz POSLNARPXDHESQ-MCIONIFRSA-N 1 2 295.383 0.675 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000874707414 615928800 /nfs/dbraw/zinc/92/88/00/615928800.db2.gz AOGZDVPSLVYSAD-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000874707414 615928802 /nfs/dbraw/zinc/92/88/02/615928802.db2.gz AOGZDVPSLVYSAD-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO C[N@@H+](CC(=O)NCc1ccco1)C[C@H](O)CC#N ZINC000929218774 616048126 /nfs/dbraw/zinc/04/81/26/616048126.db2.gz OELSTBLGTQLLKB-SNVBAGLBSA-N 1 2 251.286 0.102 20 30 CCEDLO C[N@H+](CC(=O)NCc1ccco1)C[C@H](O)CC#N ZINC000929218774 616048127 /nfs/dbraw/zinc/04/81/27/616048127.db2.gz OELSTBLGTQLLKB-SNVBAGLBSA-N 1 2 251.286 0.102 20 30 CCEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCCCNC1=O ZINC000843392810 616093093 /nfs/dbraw/zinc/09/30/93/616093093.db2.gz NONJBXGPCNAZNC-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCCCNC1=O ZINC000843392810 616093094 /nfs/dbraw/zinc/09/30/94/616093094.db2.gz NONJBXGPCNAZNC-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213792 616170517 /nfs/dbraw/zinc/17/05/17/616170517.db2.gz UDZYCIJFBWNHND-CYBMUJFWSA-N 1 2 286.335 0.076 20 30 CCEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213792 616170519 /nfs/dbraw/zinc/17/05/19/616170519.db2.gz UDZYCIJFBWNHND-CYBMUJFWSA-N 1 2 286.335 0.076 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1CO ZINC000913542366 616228076 /nfs/dbraw/zinc/22/80/76/616228076.db2.gz INAQPWAZPNSJEA-WFASDCNBSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1CO ZINC000913542366 616228077 /nfs/dbraw/zinc/22/80/77/616228077.db2.gz INAQPWAZPNSJEA-WFASDCNBSA-N 1 2 277.368 0.595 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886018655 616243632 /nfs/dbraw/zinc/24/36/32/616243632.db2.gz FULFZPQEHSSEBC-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886018655 616243633 /nfs/dbraw/zinc/24/36/33/616243633.db2.gz FULFZPQEHSSEBC-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO C[N@@H+]1CCN(Cc2nc(C#N)cs2)C[C@H]1CO ZINC000931400026 616245865 /nfs/dbraw/zinc/24/58/65/616245865.db2.gz JFZYYSSRSOWZSB-JTQLQIEISA-N 1 2 252.343 0.123 20 30 CCEDLO C[N@H+]1CCN(Cc2nc(C#N)cs2)C[C@H]1CO ZINC000931400026 616245866 /nfs/dbraw/zinc/24/58/66/616245866.db2.gz JFZYYSSRSOWZSB-JTQLQIEISA-N 1 2 252.343 0.123 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C#N)cc2)C1 ZINC000866377465 616255645 /nfs/dbraw/zinc/25/56/45/616255645.db2.gz VBNMWITYYGRBTB-CYBMUJFWSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C#N)cc2)C1 ZINC000866377465 616255646 /nfs/dbraw/zinc/25/56/46/616255646.db2.gz VBNMWITYYGRBTB-CYBMUJFWSA-N 1 2 296.348 0.597 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000825886771 616357776 /nfs/dbraw/zinc/35/77/76/616357776.db2.gz IXCFDTXOTPWPNS-UHFFFAOYSA-N 1 2 278.377 0.890 20 30 CCEDLO CN(CC#N)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886401017 616459214 /nfs/dbraw/zinc/45/92/14/616459214.db2.gz JKJPFCVLIVKSRT-UHFFFAOYSA-N 1 2 279.365 0.819 20 30 CCEDLO CN(CC#N)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886401017 616459220 /nfs/dbraw/zinc/45/92/20/616459220.db2.gz JKJPFCVLIVKSRT-UHFFFAOYSA-N 1 2 279.365 0.819 20 30 CCEDLO COC1(OC)CC[N@H+](Cc2ccncc2C#N)C[C@H]1O ZINC000931637211 616471336 /nfs/dbraw/zinc/47/13/36/616471336.db2.gz HKPYCMXFFCIXIJ-CYBMUJFWSA-N 1 2 277.324 0.509 20 30 CCEDLO COC1(OC)CC[N@@H+](Cc2ccncc2C#N)C[C@H]1O ZINC000931637211 616471338 /nfs/dbraw/zinc/47/13/38/616471338.db2.gz HKPYCMXFFCIXIJ-CYBMUJFWSA-N 1 2 277.324 0.509 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000871343319 616544330 /nfs/dbraw/zinc/54/43/30/616544330.db2.gz HVMKPKPZPBNCEJ-UHFFFAOYSA-N 1 2 264.285 0.258 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000871343319 616544333 /nfs/dbraw/zinc/54/43/33/616544333.db2.gz HVMKPKPZPBNCEJ-UHFFFAOYSA-N 1 2 264.285 0.258 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629656 616736491 /nfs/dbraw/zinc/73/64/91/616736491.db2.gz UITHOYQMLKOSSH-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629656 616736494 /nfs/dbraw/zinc/73/64/94/616736494.db2.gz UITHOYQMLKOSSH-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO COC(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000852764229 616858757 /nfs/dbraw/zinc/85/87/57/616858757.db2.gz CBYCBXMDJUCESM-UHFFFAOYSA-N 1 2 294.355 0.369 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302578 616969228 /nfs/dbraw/zinc/96/92/28/616969228.db2.gz BYLNOONLIBCULU-UHFFFAOYSA-N 1 2 275.312 0.869 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302578 616969229 /nfs/dbraw/zinc/96/92/29/616969229.db2.gz BYLNOONLIBCULU-UHFFFAOYSA-N 1 2 275.312 0.869 20 30 CCEDLO COCC[N@@H+](CC(=O)OC)C[C@@H](O)CC1(C#N)CCC1 ZINC000886011093 616986877 /nfs/dbraw/zinc/98/68/77/616986877.db2.gz VNSNFPPDTOOLEC-LBPRGKRZSA-N 1 2 284.356 0.553 20 30 CCEDLO COCC[N@H+](CC(=O)OC)C[C@@H](O)CC1(C#N)CCC1 ZINC000886011093 616986882 /nfs/dbraw/zinc/98/68/82/616986882.db2.gz VNSNFPPDTOOLEC-LBPRGKRZSA-N 1 2 284.356 0.553 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000901051089 617010976 /nfs/dbraw/zinc/01/09/76/617010976.db2.gz ICQQELIAHNTDKS-GXTWGEPZSA-N 1 2 291.355 0.835 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000901051089 617010981 /nfs/dbraw/zinc/01/09/81/617010981.db2.gz ICQQELIAHNTDKS-GXTWGEPZSA-N 1 2 291.355 0.835 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930017491 617026444 /nfs/dbraw/zinc/02/64/44/617026444.db2.gz JGCZSJCCLISIHT-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930017491 617026446 /nfs/dbraw/zinc/02/64/46/617026446.db2.gz JGCZSJCCLISIHT-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000858322572 617054993 /nfs/dbraw/zinc/05/49/93/617054993.db2.gz AVDCBADFTNEBHP-SSDOTTSWSA-N 1 2 254.315 0.513 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567365 622757499 /nfs/dbraw/zinc/75/74/99/622757499.db2.gz PZGLRTLSGBXCJE-HZSPNIEDSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567365 622757501 /nfs/dbraw/zinc/75/75/01/622757501.db2.gz PZGLRTLSGBXCJE-HZSPNIEDSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934577579 622764429 /nfs/dbraw/zinc/76/44/29/622764429.db2.gz QNJBWFKUSJJUKS-MELADBBJSA-N 1 2 264.300 0.996 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934577579 622764436 /nfs/dbraw/zinc/76/44/36/622764436.db2.gz QNJBWFKUSJJUKS-MELADBBJSA-N 1 2 264.300 0.996 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972347308 622774045 /nfs/dbraw/zinc/77/40/45/622774045.db2.gz TYJKBMAYKQYILI-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972347308 622774054 /nfs/dbraw/zinc/77/40/54/622774054.db2.gz TYJKBMAYKQYILI-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972349040 622774605 /nfs/dbraw/zinc/77/46/05/622774605.db2.gz UNJBMRMUEXZWEN-INIZCTEOSA-N 1 2 298.346 0.436 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972349040 622774616 /nfs/dbraw/zinc/77/46/16/622774616.db2.gz UNJBMRMUEXZWEN-INIZCTEOSA-N 1 2 298.346 0.436 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775253 623883365 /nfs/dbraw/zinc/88/33/65/623883365.db2.gz IHJCGPYCGVLWRP-NZFPMDFQSA-N 1 2 285.731 0.451 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775253 623883372 /nfs/dbraw/zinc/88/33/72/623883372.db2.gz IHJCGPYCGVLWRP-NZFPMDFQSA-N 1 2 285.731 0.451 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000969992451 624569472 /nfs/dbraw/zinc/56/94/72/624569472.db2.gz MLNOEELQVWHALY-RYUDHWBXSA-N 1 2 287.367 0.406 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668345 624689839 /nfs/dbraw/zinc/68/98/39/624689839.db2.gz KRKYVJNOOMMINB-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668345 624689841 /nfs/dbraw/zinc/68/98/41/624689841.db2.gz KRKYVJNOOMMINB-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO N#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677122 624808092 /nfs/dbraw/zinc/80/80/92/624808092.db2.gz GIXIWGMKIZUBDO-OCCSQVGLSA-N 1 2 287.367 0.789 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1CO ZINC000934032079 625007427 /nfs/dbraw/zinc/00/74/27/625007427.db2.gz UCNBSZRWJPKOGW-RYUDHWBXSA-N 1 2 265.357 0.784 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1CO ZINC000934032079 625007430 /nfs/dbraw/zinc/00/74/30/625007430.db2.gz UCNBSZRWJPKOGW-RYUDHWBXSA-N 1 2 265.357 0.784 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978407471 630807137 /nfs/dbraw/zinc/80/71/37/630807137.db2.gz KNHIGMSMOPGWJL-NGFQHRJXSA-N 1 2 299.378 0.263 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027791108 630920605 /nfs/dbraw/zinc/92/06/05/630920605.db2.gz YNXPNJAJSIKGCR-KGLIPLIRSA-N 1 2 263.385 0.685 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027791110 630921772 /nfs/dbraw/zinc/92/17/72/630921772.db2.gz YNXPNJAJSIKGCR-ZIAGYGMSSA-N 1 2 263.385 0.685 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000980269767 631007542 /nfs/dbraw/zinc/00/75/42/631007542.db2.gz MAUJEMGYBAPAME-LLVKDONJSA-N 1 2 261.329 0.317 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967943446 650005532 /nfs/dbraw/zinc/00/55/32/650005532.db2.gz KPDWGJYMZSIQNG-RKDXNWHRSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000967943426 650005616 /nfs/dbraw/zinc/00/56/16/650005616.db2.gz KHQAUMBHZHAQDC-MWLCHTKSSA-N 1 2 289.339 0.797 20 30 CCEDLO C(#Cc1ccccc1)C[NH2+]Cc1nnc2n1CCOC2 ZINC000894001064 631497631 /nfs/dbraw/zinc/49/76/31/631497631.db2.gz NSTVZHLBBJFDHC-UHFFFAOYSA-N 1 2 268.320 0.950 20 30 CCEDLO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000982851179 631616606 /nfs/dbraw/zinc/61/66/06/631616606.db2.gz LLKFDCQWPLXMPY-GASCZTMLSA-N 1 2 287.367 0.577 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](NCC#N)C3)ccn12 ZINC000968670002 650025502 /nfs/dbraw/zinc/02/55/02/650025502.db2.gz AMNYUAWYYGZFKL-CYBMUJFWSA-N 1 2 283.335 0.970 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)CCCN1O ZINC000895159820 631992131 /nfs/dbraw/zinc/99/21/31/631992131.db2.gz ISNUDKSXRANHRM-SECBINFHSA-N 1 2 299.352 0.658 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007308684 650073853 /nfs/dbraw/zinc/07/38/53/650073853.db2.gz PJHHBJXDGHKNIP-LLVKDONJSA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007308684 650073854 /nfs/dbraw/zinc/07/38/54/650073854.db2.gz PJHHBJXDGHKNIP-LLVKDONJSA-N 1 2 297.790 0.989 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001007882919 650096297 /nfs/dbraw/zinc/09/62/97/650096297.db2.gz PGFZKQOTFFVXLF-CYBMUJFWSA-N 1 2 287.363 0.603 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001007882919 650096299 /nfs/dbraw/zinc/09/62/99/650096299.db2.gz PGFZKQOTFFVXLF-CYBMUJFWSA-N 1 2 287.363 0.603 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001007834511 650094749 /nfs/dbraw/zinc/09/47/49/650094749.db2.gz WIOUNXHLABWLNW-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001007834511 650094752 /nfs/dbraw/zinc/09/47/52/650094752.db2.gz WIOUNXHLABWLNW-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC000989446784 633257457 /nfs/dbraw/zinc/25/74/57/633257457.db2.gz ZQRKCOFMXCYXAG-CYBMUJFWSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC000989446784 633257464 /nfs/dbraw/zinc/25/74/64/633257464.db2.gz ZQRKCOFMXCYXAG-CYBMUJFWSA-N 1 2 277.368 0.022 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@H]2CCOC2)nn1 ZINC000899736189 633878066 /nfs/dbraw/zinc/87/80/66/633878066.db2.gz WWYOXPFPDIQQAQ-ZDUSSCGKSA-N 1 2 264.329 0.197 20 30 CCEDLO C[C@@H](C#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905727304 634903797 /nfs/dbraw/zinc/90/37/97/634903797.db2.gz CIMGHMZYGZAZFO-XQQFMLRXSA-N 1 2 281.356 0.237 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082717 635074093 /nfs/dbraw/zinc/07/40/93/635074093.db2.gz MOXDTSNYSVJJJB-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082717 635074101 /nfs/dbraw/zinc/07/41/01/635074101.db2.gz MOXDTSNYSVJJJB-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010570816 650243613 /nfs/dbraw/zinc/24/36/13/650243613.db2.gz RVMBIGBMUHPVQX-QWRGUYRKSA-N 1 2 286.759 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010570816 650243616 /nfs/dbraw/zinc/24/36/16/650243616.db2.gz RVMBIGBMUHPVQX-QWRGUYRKSA-N 1 2 286.759 0.883 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010642141 650248788 /nfs/dbraw/zinc/24/87/88/650248788.db2.gz ICDMQBNEMIPMHC-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010642141 650248789 /nfs/dbraw/zinc/24/87/89/650248789.db2.gz ICDMQBNEMIPMHC-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC(C)(C)C#N ZINC000915711915 637784196 /nfs/dbraw/zinc/78/41/96/637784196.db2.gz METHKLZTDJPKFC-UHFFFAOYSA-N 1 2 256.331 0.389 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993747941 637841429 /nfs/dbraw/zinc/84/14/29/637841429.db2.gz OXASFCJONVOSPH-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993747941 637841431 /nfs/dbraw/zinc/84/14/31/637841431.db2.gz OXASFCJONVOSPH-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015708141 637886733 /nfs/dbraw/zinc/88/67/33/637886733.db2.gz YYJCQOGRDTWCFK-SDDRHHMPSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015708141 637886736 /nfs/dbraw/zinc/88/67/36/637886736.db2.gz YYJCQOGRDTWCFK-SDDRHHMPSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC000994342327 637920531 /nfs/dbraw/zinc/92/05/31/637920531.db2.gz AHDNQTDOZLOAMU-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC000994342327 637920533 /nfs/dbraw/zinc/92/05/33/637920533.db2.gz AHDNQTDOZLOAMU-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000917223167 637959441 /nfs/dbraw/zinc/95/94/41/637959441.db2.gz BKEKATUQKFAIHH-UONOGXRCSA-N 1 2 293.415 0.567 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1C ZINC000944445921 638769335 /nfs/dbraw/zinc/76/93/35/638769335.db2.gz QVFRJACUBDJIAJ-ZYHUDNBSSA-N 1 2 275.356 0.611 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014500652 650456856 /nfs/dbraw/zinc/45/68/56/650456856.db2.gz GBALOMMJBIIGCS-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014500652 650456860 /nfs/dbraw/zinc/45/68/60/650456860.db2.gz GBALOMMJBIIGCS-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999125636 638962736 /nfs/dbraw/zinc/96/27/36/638962736.db2.gz BGVWCEGTOOJRIN-ZDUSSCGKSA-N 1 2 288.351 0.872 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000879581 639183644 /nfs/dbraw/zinc/18/36/44/639183644.db2.gz RCTCTFZRXZQLHY-AWEZNQCLSA-N 1 2 299.378 0.717 20 30 CCEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001004481445 639820268 /nfs/dbraw/zinc/82/02/68/639820268.db2.gz MXOMZUBEEPFCNC-ZDUSSCGKSA-N 1 2 288.355 0.645 20 30 CCEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001004481445 639820272 /nfs/dbraw/zinc/82/02/72/639820272.db2.gz MXOMZUBEEPFCNC-ZDUSSCGKSA-N 1 2 288.355 0.645 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCN(CC#N)CC1 ZINC001005521051 639915271 /nfs/dbraw/zinc/91/52/71/639915271.db2.gz FWIVSORMPNXGNV-CHWSQXEVSA-N 1 2 287.367 0.960 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001005521051 639915276 /nfs/dbraw/zinc/91/52/76/639915276.db2.gz FWIVSORMPNXGNV-CHWSQXEVSA-N 1 2 287.367 0.960 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015324597 650555174 /nfs/dbraw/zinc/55/51/74/650555174.db2.gz OJPUFKIHBNEWEM-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015324597 650555176 /nfs/dbraw/zinc/55/51/76/650555176.db2.gz OJPUFKIHBNEWEM-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015694696 650610597 /nfs/dbraw/zinc/61/05/97/650610597.db2.gz BCPDMZXHUIFLPL-GXFFZTMASA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015694696 650610598 /nfs/dbraw/zinc/61/05/98/650610598.db2.gz BCPDMZXHUIFLPL-GXFFZTMASA-N 1 2 285.775 0.456 20 30 CCEDLO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000809578291 640900854 /nfs/dbraw/zinc/90/08/54/640900854.db2.gz KSKNSNSQFUFPCH-OLZOCXBDSA-N 1 2 282.365 0.636 20 30 CCEDLO C[C@@H]1C(N=NC2=NC(=O)C(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC000811646276 640982871 /nfs/dbraw/zinc/98/28/71/640982871.db2.gz SVAFXYVGNUCBMU-SNVBAGLBSA-N 1 2 299.334 0.239 20 30 CCEDLO C[C@@H]1C(N=NC2=NC(=O)C(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC000811646276 640982876 /nfs/dbraw/zinc/98/28/76/640982876.db2.gz SVAFXYVGNUCBMU-SNVBAGLBSA-N 1 2 299.334 0.239 20 30 CCEDLO Cc1ccn(CN2CCn3c[nH+]cc3C2)c(=O)c1C#N ZINC000811786917 640986400 /nfs/dbraw/zinc/98/64/00/640986400.db2.gz ACLMLYMZFCWXJY-UHFFFAOYSA-N 1 2 269.308 0.698 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015839032 650637705 /nfs/dbraw/zinc/63/77/05/650637705.db2.gz XXXJORICMYFIDU-SNVBAGLBSA-N 1 2 291.376 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015839032 650637709 /nfs/dbraw/zinc/63/77/09/650637709.db2.gz XXXJORICMYFIDU-SNVBAGLBSA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001015979453 650667635 /nfs/dbraw/zinc/66/76/35/650667635.db2.gz YQCLPVOOBQASSU-SNVBAGLBSA-N 1 2 263.297 0.258 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001015979453 650667636 /nfs/dbraw/zinc/66/76/36/650667636.db2.gz YQCLPVOOBQASSU-SNVBAGLBSA-N 1 2 263.297 0.258 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826707845 641954275 /nfs/dbraw/zinc/95/42/75/641954275.db2.gz ODHMJWKDXKQDPD-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826707845 641954280 /nfs/dbraw/zinc/95/42/80/641954280.db2.gz ODHMJWKDXKQDPD-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1 ZINC001017342186 650795247 /nfs/dbraw/zinc/79/52/47/650795247.db2.gz QFJQBRUVFHTUTB-BETUJISGSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1 ZINC001017342186 650795249 /nfs/dbraw/zinc/79/52/49/650795249.db2.gz QFJQBRUVFHTUTB-BETUJISGSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[C@@H]1CCC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000842629205 642920467 /nfs/dbraw/zinc/92/04/67/642920467.db2.gz LFRRQJQAEATVBP-LLVKDONJSA-N 1 2 284.319 0.765 20 30 CCEDLO C#CC[C@@H]1CCC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000842629205 642920477 /nfs/dbraw/zinc/92/04/77/642920477.db2.gz LFRRQJQAEATVBP-LLVKDONJSA-N 1 2 284.319 0.765 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001017385682 650798241 /nfs/dbraw/zinc/79/82/41/650798241.db2.gz JCFDSEJGNYLHCM-PHIMTYICSA-N 1 2 276.365 0.850 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001017385682 650798243 /nfs/dbraw/zinc/79/82/43/650798243.db2.gz JCFDSEJGNYLHCM-PHIMTYICSA-N 1 2 276.365 0.850 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001017393366 650799188 /nfs/dbraw/zinc/79/91/88/650799188.db2.gz QREUJVKMRMIYDE-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001017393366 650799191 /nfs/dbraw/zinc/79/91/91/650799191.db2.gz QREUJVKMRMIYDE-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncnc2[nH]ccc21 ZINC001017705162 650818711 /nfs/dbraw/zinc/81/87/11/650818711.db2.gz UYHFENWGAXAWEU-TXEJJXNPSA-N 1 2 295.346 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCCO[C@H]1C ZINC001017629249 650814666 /nfs/dbraw/zinc/81/46/66/650814666.db2.gz SVUCBNTZLWBLJL-XQLPTFJDSA-N 1 2 292.379 0.489 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCCO[C@H]1C ZINC001017629249 650814670 /nfs/dbraw/zinc/81/46/70/650814670.db2.gz SVUCBNTZLWBLJL-XQLPTFJDSA-N 1 2 292.379 0.489 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001017671685 650817496 /nfs/dbraw/zinc/81/74/96/650817496.db2.gz YHQVPAGCZPQSRH-MELADBBJSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncnc2[nH]ccc21 ZINC001017705162 650818716 /nfs/dbraw/zinc/81/87/16/650818716.db2.gz UYHFENWGAXAWEU-TXEJJXNPSA-N 1 2 295.346 0.832 20 30 CCEDLO C[C@H](C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372216 643212285 /nfs/dbraw/zinc/21/22/85/643212285.db2.gz XDQFIRXEHJZTRD-RISCZKNCSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372216 643212291 /nfs/dbraw/zinc/21/22/91/643212291.db2.gz XDQFIRXEHJZTRD-RISCZKNCSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)n1cc[nH+]c1 ZINC000845443684 643316499 /nfs/dbraw/zinc/31/64/99/643316499.db2.gz ZQWZEJOBCFZNRY-KOLCDFICSA-N 1 2 260.297 0.822 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(N)=O)co1 ZINC001017933057 650835068 /nfs/dbraw/zinc/83/50/68/650835068.db2.gz QHPWQRRYXNTFQM-TXEJJXNPSA-N 1 2 289.335 0.853 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(N)=O)co1 ZINC001017933057 650835070 /nfs/dbraw/zinc/83/50/70/650835070.db2.gz QHPWQRRYXNTFQM-TXEJJXNPSA-N 1 2 289.335 0.853 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000846955055 643474965 /nfs/dbraw/zinc/47/49/65/643474965.db2.gz LBGSSGCHXIEDKU-GFCCVEGCSA-N 1 2 291.351 0.530 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncc[nH]1 ZINC001018103340 650843467 /nfs/dbraw/zinc/84/34/67/650843467.db2.gz QWMYEBAKDHHAFT-TXEJJXNPSA-N 1 2 258.325 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncc[nH]1 ZINC001018103340 650843468 /nfs/dbraw/zinc/84/34/68/650843468.db2.gz QWMYEBAKDHHAFT-TXEJJXNPSA-N 1 2 258.325 0.261 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000848667062 643665201 /nfs/dbraw/zinc/66/52/01/643665201.db2.gz FXKVQUVIGLTSRK-FQEVSTJZSA-N 1 2 293.396 0.036 20 30 CCEDLO CC[N@H+](CCC#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851798629 643885275 /nfs/dbraw/zinc/88/52/75/643885275.db2.gz RVLLAICMDVEXIL-AWEZNQCLSA-N 1 2 261.325 0.595 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851798629 643885278 /nfs/dbraw/zinc/88/52/78/643885278.db2.gz RVLLAICMDVEXIL-AWEZNQCLSA-N 1 2 261.325 0.595 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851809450 643886777 /nfs/dbraw/zinc/88/67/77/643886777.db2.gz PSRSYKBPCUNREX-SMDDNHRTSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851809450 643886780 /nfs/dbraw/zinc/88/67/80/643886780.db2.gz PSRSYKBPCUNREX-SMDDNHRTSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCCC#N)[C@@H](C)CO1 ZINC000854025305 644171572 /nfs/dbraw/zinc/17/15/72/644171572.db2.gz LQCUFISVZNODNW-QWRGUYRKSA-N 1 2 254.334 0.308 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCC#N)[C@@H](C)CO1 ZINC000854025305 644171573 /nfs/dbraw/zinc/17/15/73/644171573.db2.gz LQCUFISVZNODNW-QWRGUYRKSA-N 1 2 254.334 0.308 20 30 CCEDLO N#CCCN(CC[C@H]1CCOC1=O)CC[NH+]1CCOCC1 ZINC000120729549 645416696 /nfs/dbraw/zinc/41/66/96/645416696.db2.gz ZHTJHYSKYGJVOD-AWEZNQCLSA-N 1 2 295.383 0.487 20 30 CCEDLO N#CCc1ccnc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000866681564 645570979 /nfs/dbraw/zinc/57/09/79/645570979.db2.gz BOZMYSRFIGAAPD-UPHRSURJSA-N 1 2 286.335 0.975 20 30 CCEDLO C[S@](=N)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000872101586 646210047 /nfs/dbraw/zinc/21/00/47/646210047.db2.gz VEWDOCRCFQJQGU-VGTOOOLASA-N 1 2 256.375 0.888 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cn3cnnc3)CC2)cc1 ZINC000872728487 646317008 /nfs/dbraw/zinc/31/70/08/646317008.db2.gz NODLYXNBVGHCTC-UHFFFAOYSA-N 1 2 268.324 0.929 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000874702465 646482920 /nfs/dbraw/zinc/48/29/20/646482920.db2.gz LNDONDIKXMIPIZ-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000874702465 646482927 /nfs/dbraw/zinc/48/29/27/646482927.db2.gz LNDONDIKXMIPIZ-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886146833 647908360 /nfs/dbraw/zinc/90/83/60/647908360.db2.gz DAGZKGKTQMAZTR-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886146833 647908369 /nfs/dbraw/zinc/90/83/69/647908369.db2.gz DAGZKGKTQMAZTR-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886160136 647910880 /nfs/dbraw/zinc/91/08/80/647910880.db2.gz LCUVVXHSNSREBS-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886160136 647910887 /nfs/dbraw/zinc/91/08/87/647910887.db2.gz LCUVVXHSNSREBS-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283644 647955585 /nfs/dbraw/zinc/95/55/85/647955585.db2.gz CRNPNEMAMRWZJV-NWDGAFQWSA-N 1 2 254.330 0.736 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283644 647955590 /nfs/dbraw/zinc/95/55/90/647955590.db2.gz CRNPNEMAMRWZJV-NWDGAFQWSA-N 1 2 254.330 0.736 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N1CCCCC1 ZINC000137633500 647962881 /nfs/dbraw/zinc/96/28/81/647962881.db2.gz FAIDKRHXCMIRAA-UHFFFAOYSA-N 1 2 276.340 0.925 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC[S@](=O)C(F)(F)F)C1 ZINC000930818400 648910698 /nfs/dbraw/zinc/91/06/98/648910698.db2.gz HFABBRZJWNSWMF-RBHXEPJQSA-N 1 2 270.276 0.605 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC[S@](=O)C(F)(F)F)C1 ZINC000930818400 648910703 /nfs/dbraw/zinc/91/07/03/648910703.db2.gz HFABBRZJWNSWMF-RBHXEPJQSA-N 1 2 270.276 0.605 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000932149294 649053563 /nfs/dbraw/zinc/05/35/63/649053563.db2.gz YKSVYQRUISKCLC-SNVBAGLBSA-N 1 2 256.265 0.927 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193713557 649555477 /nfs/dbraw/zinc/55/54/77/649555477.db2.gz QDENEHAMAPBXKA-QMMMGPOBSA-N 1 2 297.277 0.459 20 30 CCEDLO C=CC[NH+]1CCN(c2nccnc2C(=O)OCC)CC1 ZINC001165031548 721866766 /nfs/dbraw/zinc/86/67/66/721866766.db2.gz NJJWHFWCOKJGOP-UHFFFAOYSA-N 1 2 276.340 0.961 20 30 CCEDLO CNC(=O)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230552433 805620963 /nfs/dbraw/zinc/62/09/63/805620963.db2.gz PAMNBELIKPTAGN-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CNC(=O)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230552433 805620967 /nfs/dbraw/zinc/62/09/67/805620967.db2.gz PAMNBELIKPTAGN-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001266264415 790353007 /nfs/dbraw/zinc/35/30/07/790353007.db2.gz UIKKQCUVDQEYSR-LLVKDONJSA-N 1 2 297.399 0.340 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001266264415 790353022 /nfs/dbraw/zinc/35/30/22/790353022.db2.gz UIKKQCUVDQEYSR-LLVKDONJSA-N 1 2 297.399 0.340 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1cncn1C ZINC001266275144 790379296 /nfs/dbraw/zinc/37/92/96/790379296.db2.gz OVAVSUFLQNWDSW-GFCCVEGCSA-N 1 2 278.356 0.006 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001266275144 790379308 /nfs/dbraw/zinc/37/93/08/790379308.db2.gz OVAVSUFLQNWDSW-GFCCVEGCSA-N 1 2 278.356 0.006 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001266281314 790390504 /nfs/dbraw/zinc/39/05/04/790390504.db2.gz LPNKFRIRHIQQHA-LSDHHAIUSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC001039025117 790401426 /nfs/dbraw/zinc/40/14/26/790401426.db2.gz HZXLGRSBBUNXFC-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC001039025117 790401430 /nfs/dbraw/zinc/40/14/30/790401430.db2.gz HZXLGRSBBUNXFC-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO COCC(C)(C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266289909 790424865 /nfs/dbraw/zinc/42/48/65/790424865.db2.gz HBONWAZOOWIVOB-UHFFFAOYSA-N 1 2 296.415 0.306 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC)C2)cc1 ZINC001266332961 790527289 /nfs/dbraw/zinc/52/72/89/790527289.db2.gz DPAKUWGJUKLKPH-OAHLLOKOSA-N 1 2 299.374 0.608 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC)C2)cc1 ZINC001266332961 790527296 /nfs/dbraw/zinc/52/72/96/790527296.db2.gz DPAKUWGJUKLKPH-OAHLLOKOSA-N 1 2 299.374 0.608 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001266341960 790546557 /nfs/dbraw/zinc/54/65/57/790546557.db2.gz FTCQATOPCGPKHB-OAHLLOKOSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001266341960 790546568 /nfs/dbraw/zinc/54/65/68/790546568.db2.gz FTCQATOPCGPKHB-OAHLLOKOSA-N 1 2 297.399 0.153 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266399068 790636439 /nfs/dbraw/zinc/63/64/39/790636439.db2.gz JILKWCOEUUSHHF-GFCCVEGCSA-N 1 2 275.356 0.407 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001266410692 790653038 /nfs/dbraw/zinc/65/30/38/790653038.db2.gz GMPORRZQYSDFAW-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001266410692 790653044 /nfs/dbraw/zinc/65/30/44/790653044.db2.gz GMPORRZQYSDFAW-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn[nH]n1)CC2 ZINC001203200537 790671816 /nfs/dbraw/zinc/67/18/16/790671816.db2.gz DVWIKIOFDCMSMA-UHFFFAOYSA-N 1 2 288.355 0.799 20 30 CCEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn[nH]n1)CC2 ZINC001203200537 790671817 /nfs/dbraw/zinc/67/18/17/790671817.db2.gz DVWIKIOFDCMSMA-UHFFFAOYSA-N 1 2 288.355 0.799 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCN3C(=O)COC[C@H]3C2)c1 ZINC001167226338 790711789 /nfs/dbraw/zinc/71/17/89/790711789.db2.gz HWGYJOHCDCJTFL-GFCCVEGCSA-N 1 2 272.308 0.195 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 ZINC001083200766 790794870 /nfs/dbraw/zinc/79/48/70/790794870.db2.gz XYOLZQMULXUMQS-NIFZNCRKSA-N 1 2 290.363 0.099 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 ZINC001083200766 790794882 /nfs/dbraw/zinc/79/48/82/790794882.db2.gz XYOLZQMULXUMQS-NIFZNCRKSA-N 1 2 290.363 0.099 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125390827 790874310 /nfs/dbraw/zinc/87/43/10/790874310.db2.gz FCMHNGLWUHSANS-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001230897957 805687066 /nfs/dbraw/zinc/68/70/66/805687066.db2.gz AUVFQRWQMFRYQS-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001230897957 805687072 /nfs/dbraw/zinc/68/70/72/805687072.db2.gz AUVFQRWQMFRYQS-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OC ZINC001230939019 805694753 /nfs/dbraw/zinc/69/47/53/805694753.db2.gz RFHOWJIPYLHNDH-QWHCGFSZSA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OC ZINC001230939019 805694758 /nfs/dbraw/zinc/69/47/58/805694758.db2.gz RFHOWJIPYLHNDH-QWHCGFSZSA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C ZINC001231071006 805724186 /nfs/dbraw/zinc/72/41/86/805724186.db2.gz SNCDQICTBFUVIB-ZDUSSCGKSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C ZINC001231071006 805724188 /nfs/dbraw/zinc/72/41/88/805724188.db2.gz SNCDQICTBFUVIB-ZDUSSCGKSA-N 1 2 290.367 0.216 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001231113603 805732116 /nfs/dbraw/zinc/73/21/16/805732116.db2.gz ISBXBLKGWPUVBB-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001231113603 805732124 /nfs/dbraw/zinc/73/21/24/805732124.db2.gz ISBXBLKGWPUVBB-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(-c4nn[nH]n4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231117505 805733000 /nfs/dbraw/zinc/73/30/00/805733000.db2.gz CEFPLDQZQSJBBO-KLLCGCCRSA-N 1 2 299.334 0.858 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(-c4nn[nH]n4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231117505 805733004 /nfs/dbraw/zinc/73/30/04/805733004.db2.gz CEFPLDQZQSJBBO-KLLCGCCRSA-N 1 2 299.334 0.858 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231349239 805778934 /nfs/dbraw/zinc/77/89/34/805778934.db2.gz HCEMYNDPNCSGOF-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231349239 805778940 /nfs/dbraw/zinc/77/89/40/805778940.db2.gz HCEMYNDPNCSGOF-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001277570544 805858178 /nfs/dbraw/zinc/85/81/78/805858178.db2.gz LLJRRMBYBWRLLJ-TZMCWYRMSA-N 1 2 282.384 0.899 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001277714776 805980498 /nfs/dbraw/zinc/98/04/98/805980498.db2.gz OEGCVKAKLGZKFX-ZDUSSCGKSA-N 1 2 281.400 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001038216915 791263796 /nfs/dbraw/zinc/26/37/96/791263796.db2.gz MZMLSKWTLDOYLJ-CPCZMJQVSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001038216915 791263806 /nfs/dbraw/zinc/26/38/06/791263806.db2.gz MZMLSKWTLDOYLJ-CPCZMJQVSA-N 1 2 250.342 0.361 20 30 CCEDLO COCCN(CCC#N)CC[N@@H+]1CCOC[C@@H]1C ZINC001167558621 791539060 /nfs/dbraw/zinc/53/90/60/791539060.db2.gz QYGWQQULODCOJJ-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO COCCN(CCC#N)CC[N@H+]1CCOC[C@@H]1C ZINC001167558621 791539067 /nfs/dbraw/zinc/53/90/67/791539067.db2.gz QYGWQQULODCOJJ-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(=O)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233587735 806086912 /nfs/dbraw/zinc/08/69/12/806086912.db2.gz YQILKZSMAXXSPW-GNARGMICSA-N 1 2 283.715 0.827 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(=O)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233587735 806086922 /nfs/dbraw/zinc/08/69/22/806086922.db2.gz YQILKZSMAXXSPW-GNARGMICSA-N 1 2 283.715 0.827 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1 ZINC001277810666 806128321 /nfs/dbraw/zinc/12/83/21/806128321.db2.gz OOKFICSIJSWDDY-MFKMUULPSA-N 1 2 298.412 0.802 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001233957253 806155682 /nfs/dbraw/zinc/15/56/82/806155682.db2.gz KGJZKOHOEIYFHH-CQSZACIVSA-N 1 2 293.411 0.801 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001233957253 806155687 /nfs/dbraw/zinc/15/56/87/806155687.db2.gz KGJZKOHOEIYFHH-CQSZACIVSA-N 1 2 293.411 0.801 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177913 806196025 /nfs/dbraw/zinc/19/60/25/806196025.db2.gz GHVZRHCCNVRMFG-ZDUSSCGKSA-N 1 2 277.368 0.021 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177913 806196029 /nfs/dbraw/zinc/19/60/29/806196029.db2.gz GHVZRHCCNVRMFG-ZDUSSCGKSA-N 1 2 277.368 0.021 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cn(C)nn1 ZINC001235451814 806424906 /nfs/dbraw/zinc/42/49/06/806424906.db2.gz QGKGFNQJRVPSIW-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cn(C)nn1 ZINC001235451814 806424915 /nfs/dbraw/zinc/42/49/15/806424915.db2.gz QGKGFNQJRVPSIW-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nc(CC)no1 ZINC001235684151 806490264 /nfs/dbraw/zinc/49/02/64/806490264.db2.gz RICMYMTWPNCHPL-UHFFFAOYSA-N 1 2 296.371 0.773 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nc(CC)no1 ZINC001235684151 806490269 /nfs/dbraw/zinc/49/02/69/806490269.db2.gz RICMYMTWPNCHPL-UHFFFAOYSA-N 1 2 296.371 0.773 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1cncc(C#N)n1 ZINC001120712580 798919661 /nfs/dbraw/zinc/91/96/61/798919661.db2.gz ONZBFMRQPAEUTP-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO N#CC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001120747970 798927914 /nfs/dbraw/zinc/92/79/14/798927914.db2.gz KRNLIEYWVYBIIO-UHFFFAOYSA-N 1 2 262.313 0.779 20 30 CCEDLO N#CC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001120747970 798927917 /nfs/dbraw/zinc/92/79/17/798927917.db2.gz KRNLIEYWVYBIIO-UHFFFAOYSA-N 1 2 262.313 0.779 20 30 CCEDLO Cc1nc(N[C@H](CO)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001121439782 799046974 /nfs/dbraw/zinc/04/69/74/799046974.db2.gz TUGMNZMCIDJJIN-LBPRGKRZSA-N 1 2 290.367 0.724 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)O)n2CC)CC1 ZINC001121795225 799070646 /nfs/dbraw/zinc/07/06/46/799070646.db2.gz OJASKZYCAFPZRG-UHFFFAOYSA-N 1 2 277.372 0.281 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001278246503 806788884 /nfs/dbraw/zinc/78/88/84/806788884.db2.gz FSNUCLAMZNBZCA-BLLLJJGKSA-N 1 2 299.378 0.947 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154061935 800716127 /nfs/dbraw/zinc/71/61/27/800716127.db2.gz CFYYSJIUDMYRAT-OLZOCXBDSA-N 1 2 289.383 0.796 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155197019 800929512 /nfs/dbraw/zinc/92/95/12/800929512.db2.gz HTNHQVUZHYBIQP-GFCCVEGCSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155197019 800929517 /nfs/dbraw/zinc/92/95/17/800929517.db2.gz HTNHQVUZHYBIQP-GFCCVEGCSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCCC(=O)NCCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001155587052 801016955 /nfs/dbraw/zinc/01/69/55/801016955.db2.gz VOWXGGCZKPFEGT-UHFFFAOYSA-N 1 2 294.403 0.990 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C)cc2/C=N/O)C[NH2+]1 ZINC001156248744 801138506 /nfs/dbraw/zinc/13/85/06/801138506.db2.gz HXTQDTLINMEVMS-IQBDCRRYSA-N 1 2 278.312 0.514 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(C(N)=O)c(Cl)cn1 ZINC001156320943 801149836 /nfs/dbraw/zinc/14/98/36/801149836.db2.gz JLAYESOBLMLYQQ-ZETCQYMHSA-N 1 2 265.704 0.136 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001156327756 801151183 /nfs/dbraw/zinc/15/11/83/801151183.db2.gz KMYLWSOJTFVQSV-AWEZNQCLSA-N 1 2 297.362 0.955 20 30 CCEDLO N#CCCN1CCN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001156971184 801275637 /nfs/dbraw/zinc/27/56/37/801275637.db2.gz ZRLCWNRZLIRWGD-UHFFFAOYSA-N 1 2 298.350 0.817 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747276 801469619 /nfs/dbraw/zinc/46/96/19/801469619.db2.gz AIMYFLDOQGDEIP-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747276 801469626 /nfs/dbraw/zinc/46/96/26/801469626.db2.gz AIMYFLDOQGDEIP-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncccc1C#N ZINC001157770589 801476504 /nfs/dbraw/zinc/47/65/04/801476504.db2.gz NBQQUFCNZKOXJK-NSHDSACASA-N 1 2 260.297 0.247 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncccc1C#N ZINC001157770589 801476509 /nfs/dbraw/zinc/47/65/09/801476509.db2.gz NBQQUFCNZKOXJK-NSHDSACASA-N 1 2 260.297 0.247 20 30 CCEDLO CCOC(=O)[C@@H](C#N)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159323545 801791370 /nfs/dbraw/zinc/79/13/70/801791370.db2.gz KWXSSXLCRRBVFK-CYBMUJFWSA-N 1 2 299.334 0.856 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001265277607 809741786 /nfs/dbraw/zinc/74/17/86/809741786.db2.gz RQLHZEVXYQGCAY-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001265277607 809741789 /nfs/dbraw/zinc/74/17/89/809741789.db2.gz RQLHZEVXYQGCAY-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncccc2CC#N)C[NH2+]1 ZINC001164302369 802714454 /nfs/dbraw/zinc/71/44/54/802714454.db2.gz SGDJWMYSMXEBSB-QWRGUYRKSA-N 1 2 260.297 0.463 20 30 CCEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2nnn(C)n2)CCC1 ZINC001165998566 802879934 /nfs/dbraw/zinc/87/99/34/802879934.db2.gz YDLYQDDZWQZQEB-UHFFFAOYSA-N 1 2 292.387 0.552 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCC1(CNCC#N)CC1 ZINC001166322728 802900008 /nfs/dbraw/zinc/90/00/08/802900008.db2.gz QSCHEXRMWUNWJV-UHFFFAOYSA-N 1 2 289.383 0.752 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(CNCC#N)CC1 ZINC001206905688 803304223 /nfs/dbraw/zinc/30/42/23/803304223.db2.gz IYZKEPCATIBXHC-UHFFFAOYSA-N 1 2 289.383 0.704 20 30 CCEDLO C=CCN(CC[NH+]1CCN(C(N)=O)CC1)C(=O)OCC ZINC001209021494 803564875 /nfs/dbraw/zinc/56/48/75/803564875.db2.gz HCGQWTGJLIXMST-UHFFFAOYSA-N 1 2 284.360 0.327 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)O1 ZINC001209276195 803586468 /nfs/dbraw/zinc/58/64/68/803586468.db2.gz VUTIEERGUMHQIV-QNWHQSFQSA-N 1 2 284.356 0.095 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCC[C@@H](C#N)C2)O1 ZINC001209276195 803586472 /nfs/dbraw/zinc/58/64/72/803586472.db2.gz VUTIEERGUMHQIV-QNWHQSFQSA-N 1 2 284.356 0.095 20 30 CCEDLO Nc1ccccc1C(NO)=[NH+]c1cnc(NCCO)nc1 ZINC001210900853 803663799 /nfs/dbraw/zinc/66/37/99/803663799.db2.gz LDYXFBLELRYROO-UHFFFAOYSA-N 1 2 288.311 0.520 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214331806 803735032 /nfs/dbraw/zinc/73/50/32/803735032.db2.gz SSXJVAIIVWFEIG-ZYHUDNBSSA-N 1 2 296.396 0.677 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COCCC)[C@H]2C1 ZINC001217468914 803893761 /nfs/dbraw/zinc/89/37/61/803893761.db2.gz GIKTUKDTSIYXSR-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCCC)[C@H]2C1 ZINC001217468914 803893770 /nfs/dbraw/zinc/89/37/70/803893770.db2.gz GIKTUKDTSIYXSR-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CO[C@H](C)CC)[C@H]2C1 ZINC001217660726 803900317 /nfs/dbraw/zinc/90/03/17/803900317.db2.gz YSYPJRYDOHDRJW-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CO[C@H](C)CC)[C@H]2C1 ZINC001217660726 803900324 /nfs/dbraw/zinc/90/03/24/803900324.db2.gz YSYPJRYDOHDRJW-QLFBSQMISA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1cnc2[nH]c(C(=O)OC)cc2c1 ZINC001218671906 804074665 /nfs/dbraw/zinc/07/46/65/804074665.db2.gz XRTFORSJVKYHEI-AWEZNQCLSA-N 1 2 286.291 0.639 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1nc[nH]c(=O)c1Br ZINC001218679193 804077916 /nfs/dbraw/zinc/07/79/16/804077916.db2.gz PLFPNZNIHMLUAK-VIFPVBQESA-N 1 2 285.101 0.234 20 30 CCEDLO N#Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c([O-])cc1F ZINC001219068438 804190020 /nfs/dbraw/zinc/19/00/20/804190020.db2.gz SXLMHAZXBVRESR-QMMMGPOBSA-N 1 2 252.249 0.018 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219332651 804272574 /nfs/dbraw/zinc/27/25/74/804272574.db2.gz DBRYFMWUNMVGRZ-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219332651 804272582 /nfs/dbraw/zinc/27/25/82/804272582.db2.gz DBRYFMWUNMVGRZ-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219332976 804275308 /nfs/dbraw/zinc/27/53/08/804275308.db2.gz NIYILQMNDHDSSR-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219332976 804275315 /nfs/dbraw/zinc/27/53/15/804275315.db2.gz NIYILQMNDHDSSR-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)c1 ZINC001219379705 804291994 /nfs/dbraw/zinc/29/19/94/804291994.db2.gz XATZQNXBIIQRPF-BNOWGMLFSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)c1 ZINC001219379705 804292001 /nfs/dbraw/zinc/29/20/01/804292001.db2.gz XATZQNXBIIQRPF-BNOWGMLFSA-N 1 2 288.351 0.211 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219539282 804340821 /nfs/dbraw/zinc/34/08/21/804340821.db2.gz DJIAXIMQFWALKD-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219539282 804340828 /nfs/dbraw/zinc/34/08/28/804340828.db2.gz DJIAXIMQFWALKD-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219593127 804364770 /nfs/dbraw/zinc/36/47/70/804364770.db2.gz DGYROPBEYHWOIP-OLZOCXBDSA-N 1 2 289.335 0.058 20 30 CCEDLO Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219593127 804364776 /nfs/dbraw/zinc/36/47/76/804364776.db2.gz DGYROPBEYHWOIP-OLZOCXBDSA-N 1 2 289.335 0.058 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 ZINC001219696898 804407553 /nfs/dbraw/zinc/40/75/53/804407553.db2.gz IHJLTQKQTFUZEO-KGLIPLIRSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 ZINC001219696898 804407558 /nfs/dbraw/zinc/40/75/58/804407558.db2.gz IHJLTQKQTFUZEO-KGLIPLIRSA-N 1 2 296.411 0.480 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220146698 804514589 /nfs/dbraw/zinc/51/45/89/804514589.db2.gz NENNDHWFSLLLFP-OLZOCXBDSA-N 1 2 270.348 0.701 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220146698 804514591 /nfs/dbraw/zinc/51/45/91/804514591.db2.gz NENNDHWFSLLLFP-OLZOCXBDSA-N 1 2 270.348 0.701 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C#N)c(F)c1 ZINC001220449097 804607716 /nfs/dbraw/zinc/60/77/16/804607716.db2.gz JRDSOAXOBHKEON-NSHDSACASA-N 1 2 279.271 0.204 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221029555 804723022 /nfs/dbraw/zinc/72/30/22/804723022.db2.gz XDCNETABBVKBNC-BMFZPTHFSA-N 1 2 286.375 0.660 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221029555 804723024 /nfs/dbraw/zinc/72/30/24/804723024.db2.gz XDCNETABBVKBNC-BMFZPTHFSA-N 1 2 286.375 0.660 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCCC2)[C@@H](O)C1 ZINC001221191043 804742748 /nfs/dbraw/zinc/74/27/48/804742748.db2.gz FWYHKHNPHIAXOA-KGLIPLIRSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCCC2)[C@@H](O)C1 ZINC001221191043 804742751 /nfs/dbraw/zinc/74/27/51/804742751.db2.gz FWYHKHNPHIAXOA-KGLIPLIRSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC)[C@@H]2C1 ZINC001221226142 804751022 /nfs/dbraw/zinc/75/10/22/804751022.db2.gz YQZFPYAFCZYXOD-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC)[C@@H]2C1 ZINC001221226142 804751025 /nfs/dbraw/zinc/75/10/25/804751025.db2.gz YQZFPYAFCZYXOD-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001221238264 804754468 /nfs/dbraw/zinc/75/44/68/804754468.db2.gz UNEZQXIUZMOUFS-ZIAGYGMSSA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001221238264 804754472 /nfs/dbraw/zinc/75/44/72/804754472.db2.gz UNEZQXIUZMOUFS-ZIAGYGMSSA-N 1 2 289.379 0.235 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001221285989 804764519 /nfs/dbraw/zinc/76/45/19/804764519.db2.gz GGNKWEWFMAOJKT-TZMCWYRMSA-N 1 2 288.351 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001221285989 804764523 /nfs/dbraw/zinc/76/45/23/804764523.db2.gz GGNKWEWFMAOJKT-TZMCWYRMSA-N 1 2 288.351 0.206 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001221285989 804764524 /nfs/dbraw/zinc/76/45/24/804764524.db2.gz GGNKWEWFMAOJKT-TZMCWYRMSA-N 1 2 288.351 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001221285989 804764529 /nfs/dbraw/zinc/76/45/29/804764529.db2.gz GGNKWEWFMAOJKT-TZMCWYRMSA-N 1 2 288.351 0.206 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H](C)C#N)CC2)[nH]1 ZINC001222659432 804923440 /nfs/dbraw/zinc/92/34/40/804923440.db2.gz XPGNAXXCVSINDM-SNVBAGLBSA-N 1 2 290.371 0.601 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001276836325 804932994 /nfs/dbraw/zinc/93/29/94/804932994.db2.gz VPHXMAWVKOGZQD-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001276836325 804932999 /nfs/dbraw/zinc/93/29/99/804932999.db2.gz VPHXMAWVKOGZQD-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001276836389 804933158 /nfs/dbraw/zinc/93/31/58/804933158.db2.gz WPZVJKJYWVDJKC-HIFRSBDPSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001276836389 804933162 /nfs/dbraw/zinc/93/31/62/804933162.db2.gz WPZVJKJYWVDJKC-HIFRSBDPSA-N 1 2 292.383 0.438 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCC1CCN(CC#N)CC1 ZINC001223904635 804997179 /nfs/dbraw/zinc/99/71/79/804997179.db2.gz ZJFBEMVAZBQLCB-UHFFFAOYSA-N 1 2 289.383 0.704 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCN(CC#N)CC1 ZINC001224795086 805077347 /nfs/dbraw/zinc/07/73/47/805077347.db2.gz DETZZWLHSFWPGO-LBPRGKRZSA-N 1 2 289.383 0.940 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCN(CC#N)CC1 ZINC001224795086 805077358 /nfs/dbraw/zinc/07/73/58/805077358.db2.gz DETZZWLHSFWPGO-LBPRGKRZSA-N 1 2 289.383 0.940 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4n[nH]cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225565933 805142171 /nfs/dbraw/zinc/14/21/71/805142171.db2.gz WLCJVOHWVMZDQH-FRQULTQSSA-N 1 2 273.296 0.344 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4n[nH]cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225565933 805142174 /nfs/dbraw/zinc/14/21/74/805142174.db2.gz WLCJVOHWVMZDQH-FRQULTQSSA-N 1 2 273.296 0.344 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1C ZINC001088678247 815055801 /nfs/dbraw/zinc/05/58/01/815055801.db2.gz LZLOSSSVQVIMFV-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1C ZINC001088678247 815055805 /nfs/dbraw/zinc/05/58/05/815055805.db2.gz LZLOSSSVQVIMFV-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO Cc1nonc1C[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226617532 805256825 /nfs/dbraw/zinc/25/68/25/805256825.db2.gz IPICYSPZJLJWCJ-SECBINFHSA-N 1 2 277.328 0.618 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001226640287 805260634 /nfs/dbraw/zinc/26/06/34/805260634.db2.gz LPTYELJXWRUAIK-GHMZBOCLSA-N 1 2 290.371 0.616 20 30 CCEDLO Cc1nnc(OC[C@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC001229439358 805534223 /nfs/dbraw/zinc/53/42/23/805534223.db2.gz KEKNQEDTSZZOAP-LLVKDONJSA-N 1 2 262.313 0.675 20 30 CCEDLO Cc1nnc(OC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC001229439358 805534227 /nfs/dbraw/zinc/53/42/27/805534227.db2.gz KEKNQEDTSZZOAP-LLVKDONJSA-N 1 2 262.313 0.675 20 30 CCEDLO Cc1cc(-c2noc([C@@H]([NH3+])Cc3nn[nH]n3)n2)ccc1C#N ZINC001247302980 807460327 /nfs/dbraw/zinc/46/03/27/807460327.db2.gz YHWTVSFTVQTRFN-JTQLQIEISA-N 1 2 296.294 0.672 20 30 CCEDLO N#Cc1sccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006034 807637012 /nfs/dbraw/zinc/63/70/12/807637012.db2.gz CAGOLPQPQYWBON-SNVBAGLBSA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1ncc(NC[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC001251005648 807637675 /nfs/dbraw/zinc/63/76/75/807637675.db2.gz DEQJOZIZCMYLBK-NSHDSACASA-N 1 2 296.758 0.712 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251035691 807650867 /nfs/dbraw/zinc/65/08/67/807650867.db2.gz LIKRETSVRHEMEI-QWHCGFSZSA-N 1 2 255.362 0.207 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251035206 807651231 /nfs/dbraw/zinc/65/12/31/807651231.db2.gz XMVRZRJPLANEFB-CQSZACIVSA-N 1 2 286.335 0.535 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC001251851258 807720532 /nfs/dbraw/zinc/72/05/32/807720532.db2.gz HRIWQBJWKPIYAB-NSHDSACASA-N 1 2 280.290 0.177 20 30 CCEDLO COCc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126828492 815142448 /nfs/dbraw/zinc/14/24/48/815142448.db2.gz WLQSWXZJYSVHHU-UHFFFAOYSA-N 1 2 280.328 0.081 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](O)C1 ZINC001083472327 815142936 /nfs/dbraw/zinc/14/29/36/815142936.db2.gz RPWTYYRKSYOWHX-MNOVXSKESA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](O)C1 ZINC001083472327 815142939 /nfs/dbraw/zinc/14/29/39/815142939.db2.gz RPWTYYRKSYOWHX-MNOVXSKESA-N 1 2 290.367 0.115 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001251904141 807743355 /nfs/dbraw/zinc/74/33/55/807743355.db2.gz VQXNSDIIHVDFIJ-LLVKDONJSA-N 1 2 257.330 0.319 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)O ZINC001251957477 807750106 /nfs/dbraw/zinc/75/01/06/807750106.db2.gz GDZYPPRXOMMXNE-JQWIXIFHSA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](C)O ZINC001251957477 807750110 /nfs/dbraw/zinc/75/01/10/807750110.db2.gz GDZYPPRXOMMXNE-JQWIXIFHSA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001252462976 807874024 /nfs/dbraw/zinc/87/40/24/807874024.db2.gz KNLKRBRPXKPYDQ-NSHDSACASA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001252462976 807874032 /nfs/dbraw/zinc/87/40/32/807874032.db2.gz KNLKRBRPXKPYDQ-NSHDSACASA-N 1 2 259.346 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)[C@@H](O)C1 ZINC001083487584 815157889 /nfs/dbraw/zinc/15/78/89/815157889.db2.gz CINDHRPLYMZYJH-IPYPFGDCSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)[C@@H](O)C1 ZINC001083487584 815157890 /nfs/dbraw/zinc/15/78/90/815157890.db2.gz CINDHRPLYMZYJH-IPYPFGDCSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H](O)C1 ZINC001083487585 815158019 /nfs/dbraw/zinc/15/80/19/815158019.db2.gz CINDHRPLYMZYJH-VNHYZAJKSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@@H](O)C1 ZINC001083487585 815158020 /nfs/dbraw/zinc/15/80/20/815158020.db2.gz CINDHRPLYMZYJH-VNHYZAJKSA-N 1 2 262.353 0.527 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@@](C)(O)C=C ZINC001252550571 807907985 /nfs/dbraw/zinc/90/79/85/807907985.db2.gz OMSVYJLHLMZKDA-ZFWWWQNUSA-N 1 2 292.383 0.854 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@](C)(O)C=C ZINC001252550571 807907990 /nfs/dbraw/zinc/90/79/90/807907990.db2.gz OMSVYJLHLMZKDA-ZFWWWQNUSA-N 1 2 292.383 0.854 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1C(C)=O ZINC001254676429 808273697 /nfs/dbraw/zinc/27/36/97/808273697.db2.gz LNQCEBHIWWJLRP-XQQFMLRXSA-N 1 2 279.340 0.384 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1C(C)=O ZINC001254676429 808273702 /nfs/dbraw/zinc/27/37/02/808273702.db2.gz LNQCEBHIWWJLRP-XQQFMLRXSA-N 1 2 279.340 0.384 20 30 CCEDLO CC[C@H](CC#N)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001255158359 808324204 /nfs/dbraw/zinc/32/42/04/808324204.db2.gz JJYBEAJQVXPYOQ-PWSUYJOCSA-N 1 2 264.329 0.786 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)COC ZINC001255569618 808404842 /nfs/dbraw/zinc/40/48/42/808404842.db2.gz HOIXQKVFXHLZPK-AAEUAGOBSA-N 1 2 280.372 0.952 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)COC ZINC001255569618 808404846 /nfs/dbraw/zinc/40/48/46/808404846.db2.gz HOIXQKVFXHLZPK-AAEUAGOBSA-N 1 2 280.372 0.952 20 30 CCEDLO CCOC(=O)N1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001256028748 808455134 /nfs/dbraw/zinc/45/51/34/808455134.db2.gz JHTUNPOAQBQYEH-GHMZBOCLSA-N 1 2 252.318 0.015 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001278914526 808473108 /nfs/dbraw/zinc/47/31/08/808473108.db2.gz YUKQWQUCRPJPKZ-QWHCGFSZSA-N 1 2 262.353 0.219 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C(F)F)cc2C)[C@@H](O)C1 ZINC001083541752 815239710 /nfs/dbraw/zinc/23/97/10/815239710.db2.gz XPKMVCZNLAOBSU-ZJUUUORDSA-N 1 2 298.289 0.934 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C(F)F)cc2C)[C@@H](O)C1 ZINC001083541752 815239713 /nfs/dbraw/zinc/23/97/13/815239713.db2.gz XPKMVCZNLAOBSU-ZJUUUORDSA-N 1 2 298.289 0.934 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H](C)N1CC#N ZINC001262112325 809193841 /nfs/dbraw/zinc/19/38/41/809193841.db2.gz FWQVRXBOVVMLNO-BETUJISGSA-N 1 2 288.399 0.961 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H](C)N1CC#N ZINC001262112325 809193846 /nfs/dbraw/zinc/19/38/46/809193846.db2.gz FWQVRXBOVVMLNO-BETUJISGSA-N 1 2 288.399 0.961 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265205691 809723322 /nfs/dbraw/zinc/72/33/22/809723322.db2.gz LZBNKCNBHURLEG-YQJFHSMKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265205691 809723326 /nfs/dbraw/zinc/72/33/26/809723326.db2.gz LZBNKCNBHURLEG-YQJFHSMKSA-N 1 2 292.383 0.563 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC2CC2)C1 ZINC001265207250 809723428 /nfs/dbraw/zinc/72/34/28/809723428.db2.gz CYXDQVXDMMRNET-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC2CC2)C1 ZINC001265207250 809723432 /nfs/dbraw/zinc/72/34/32/809723432.db2.gz CYXDQVXDMMRNET-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001265226728 809728621 /nfs/dbraw/zinc/72/86/21/809728621.db2.gz JDTIZDHZZFIMTC-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001265226728 809728625 /nfs/dbraw/zinc/72/86/25/809728625.db2.gz JDTIZDHZZFIMTC-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001265268453 809738367 /nfs/dbraw/zinc/73/83/67/809738367.db2.gz OZEGTRJSSUHCBW-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001265268453 809738374 /nfs/dbraw/zinc/73/83/74/809738374.db2.gz OZEGTRJSSUHCBW-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001265775104 809850781 /nfs/dbraw/zinc/85/07/81/809850781.db2.gz NFJUYHHOWJKNHX-NSHDSACASA-N 1 2 279.340 0.617 20 30 CCEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001265814597 809861300 /nfs/dbraw/zinc/86/13/00/809861300.db2.gz BCXYLYWSLFXRQE-UWVGGRQHSA-N 1 2 278.360 0.772 20 30 CCEDLO Cc1nnc([C@H](C)[N@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001265814597 809861305 /nfs/dbraw/zinc/86/13/05/809861305.db2.gz BCXYLYWSLFXRQE-UWVGGRQHSA-N 1 2 278.360 0.772 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)s1 ZINC001076663516 815331269 /nfs/dbraw/zinc/33/12/69/815331269.db2.gz LYCYVSXTOHDUNO-CHWSQXEVSA-N 1 2 291.376 0.691 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)s1 ZINC001076663516 815331272 /nfs/dbraw/zinc/33/12/72/815331272.db2.gz LYCYVSXTOHDUNO-CHWSQXEVSA-N 1 2 291.376 0.691 20 30 CCEDLO CCc1nnc(C[NH2+]CCN(C)C(=O)CSCC#N)o1 ZINC001267348759 811192251 /nfs/dbraw/zinc/19/22/51/811192251.db2.gz KFGCFNBGJPEWKC-UHFFFAOYSA-N 1 2 297.384 0.437 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(C#N)c1 ZINC001137699846 811255895 /nfs/dbraw/zinc/25/58/95/811255895.db2.gz XDYLNYCEINCRPL-WFASDCNBSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(C#N)c1 ZINC001137699846 811255902 /nfs/dbraw/zinc/25/59/02/811255902.db2.gz XDYLNYCEINCRPL-WFASDCNBSA-N 1 2 276.336 0.742 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCC)CC2)C1 ZINC001105686221 815434718 /nfs/dbraw/zinc/43/47/18/815434718.db2.gz QUIAVFXHBURWDO-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001077032133 815436047 /nfs/dbraw/zinc/43/60/47/815436047.db2.gz QFLYPXADMKPTPP-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001077032133 815436051 /nfs/dbraw/zinc/43/60/51/815436051.db2.gz QFLYPXADMKPTPP-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098588201 811372749 /nfs/dbraw/zinc/37/27/49/811372749.db2.gz HUYBXTUTPNMJLJ-GFCCVEGCSA-N 1 2 261.329 0.184 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccncc1C#N ZINC001098167681 811455566 /nfs/dbraw/zinc/45/55/66/811455566.db2.gz IAYVJOAONWEMLM-GFCCVEGCSA-N 1 2 298.350 0.579 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001077156466 815452238 /nfs/dbraw/zinc/45/22/38/815452238.db2.gz GFKDNSLYKMMEQL-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001077156466 815452240 /nfs/dbraw/zinc/45/22/40/815452240.db2.gz GFKDNSLYKMMEQL-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1nccnc1C#N ZINC001098168197 811508369 /nfs/dbraw/zinc/50/83/69/811508369.db2.gz WPYXFDNQARCZKG-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267606330 811546229 /nfs/dbraw/zinc/54/62/29/811546229.db2.gz VQHYKCOPANXCKV-CQSZACIVSA-N 1 2 296.415 0.401 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccsn2)C1 ZINC001267686793 811649293 /nfs/dbraw/zinc/64/92/93/811649293.db2.gz VHMFAYPVESDICF-UHFFFAOYSA-N 1 2 294.380 0.107 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267735202 811704785 /nfs/dbraw/zinc/70/47/85/811704785.db2.gz OLSLXOQCNMMRFX-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267735202 811704791 /nfs/dbraw/zinc/70/47/91/811704791.db2.gz OLSLXOQCNMMRFX-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001267736467 811706987 /nfs/dbraw/zinc/70/69/87/811706987.db2.gz CQPIFIAIPGXTOL-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001267736467 811706989 /nfs/dbraw/zinc/70/69/89/811706989.db2.gz CQPIFIAIPGXTOL-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO CN(C(=O)C1CCCC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267755577 811748903 /nfs/dbraw/zinc/74/89/03/811748903.db2.gz MDLDGELSIHPKGE-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CN(C(=O)C1CCCC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267755577 811748907 /nfs/dbraw/zinc/74/89/07/811748907.db2.gz MDLDGELSIHPKGE-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]cnc3C)[C@H]2C1 ZINC001083293682 811771375 /nfs/dbraw/zinc/77/13/75/811771375.db2.gz SHVHSYVFYVWEEJ-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]cnc3C)[C@H]2C1 ZINC001083293682 811771378 /nfs/dbraw/zinc/77/13/78/811771378.db2.gz SHVHSYVFYVWEEJ-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCCC3)C2)nn1 ZINC001105130052 811851171 /nfs/dbraw/zinc/85/11/71/811851171.db2.gz DYJGTIQFKHVLCH-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001077339686 815482099 /nfs/dbraw/zinc/48/20/99/815482099.db2.gz VIMTVTNXJDQTEN-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001077339686 815482101 /nfs/dbraw/zinc/48/21/01/815482101.db2.gz VIMTVTNXJDQTEN-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267958609 811894252 /nfs/dbraw/zinc/89/42/52/811894252.db2.gz STHHRSDNWRTFKT-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267958608 811894730 /nfs/dbraw/zinc/89/47/30/811894730.db2.gz STHHRSDNWRTFKT-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001077370116 815487839 /nfs/dbraw/zinc/48/78/39/815487839.db2.gz CGUHQBYZRUQIJO-FDYHWXHSSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001077370116 815487843 /nfs/dbraw/zinc/48/78/43/815487843.db2.gz CGUHQBYZRUQIJO-FDYHWXHSSA-N 1 2 264.369 0.463 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C(F)F)C1 ZINC001268017478 811958569 /nfs/dbraw/zinc/95/85/69/811958569.db2.gz JPAFUHJHGYFUON-JTQLQIEISA-N 1 2 278.299 0.271 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C(F)F)C1 ZINC001268017478 811958570 /nfs/dbraw/zinc/95/85/70/811958570.db2.gz JPAFUHJHGYFUON-JTQLQIEISA-N 1 2 278.299 0.271 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001077401741 815494303 /nfs/dbraw/zinc/49/43/03/815494303.db2.gz JQVRZCVFUIVNMQ-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001077401741 815494306 /nfs/dbraw/zinc/49/43/06/815494306.db2.gz JQVRZCVFUIVNMQ-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001058853536 812205649 /nfs/dbraw/zinc/20/56/49/812205649.db2.gz MSEVFPYQCHFPII-UWVGGRQHSA-N 1 2 299.338 0.536 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1snnc1CC ZINC001028006058 812210526 /nfs/dbraw/zinc/21/05/26/812210526.db2.gz GYOONINYFFEUGN-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1snnc1CC ZINC001028006058 812210528 /nfs/dbraw/zinc/21/05/28/812210528.db2.gz GYOONINYFFEUGN-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC)C1 ZINC001268158551 812315476 /nfs/dbraw/zinc/31/54/76/812315476.db2.gz SOJBZWUYLJHJAV-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC)C1 ZINC001268158551 812315483 /nfs/dbraw/zinc/31/54/83/812315483.db2.gz SOJBZWUYLJHJAV-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001126333642 812364892 /nfs/dbraw/zinc/36/48/92/812364892.db2.gz LSAZZHOFSDGUMZ-UHFFFAOYSA-N 1 2 260.341 0.794 20 30 CCEDLO N#CCc1ccc(NCCNC(=O)N2CCOCC2)[nH+]c1 ZINC001167889886 812422441 /nfs/dbraw/zinc/42/24/41/812422441.db2.gz ZRDPUIUZNOBXDF-UHFFFAOYSA-N 1 2 289.339 0.601 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001028259311 812523763 /nfs/dbraw/zinc/52/37/63/812523763.db2.gz CBCUNFYBCVBZMY-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001028259311 812523771 /nfs/dbraw/zinc/52/37/71/812523771.db2.gz CBCUNFYBCVBZMY-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269422 812536490 /nfs/dbraw/zinc/53/64/90/812536490.db2.gz LYVZDBRZXJXBNH-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269422 812536494 /nfs/dbraw/zinc/53/64/94/812536494.db2.gz LYVZDBRZXJXBNH-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083346254 812898884 /nfs/dbraw/zinc/89/88/84/812898884.db2.gz ZSAHOFIKLJIPLY-CVEARBPZSA-N 1 2 286.375 0.855 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083346254 812898890 /nfs/dbraw/zinc/89/88/90/812898890.db2.gz ZSAHOFIKLJIPLY-CVEARBPZSA-N 1 2 286.375 0.855 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001127027059 815564364 /nfs/dbraw/zinc/56/43/64/815564364.db2.gz GNQXJALOISUZCW-UHFFFAOYSA-N 1 2 292.339 0.193 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643767 813107619 /nfs/dbraw/zinc/10/76/19/813107619.db2.gz RURFLONQGXLCCG-QWHCGFSZSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CC(=O)NC12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001268850756 813115510 /nfs/dbraw/zinc/11/55/10/813115510.db2.gz ABXFYALXIJHNNS-UHFFFAOYSA-N 1 2 294.314 0.945 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001269061731 813199299 /nfs/dbraw/zinc/19/92/99/813199299.db2.gz NSQJKXLJGVYOMB-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001269061731 813199303 /nfs/dbraw/zinc/19/93/03/813199303.db2.gz NSQJKXLJGVYOMB-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO N#CCNC[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001269096536 813214149 /nfs/dbraw/zinc/21/41/49/813214149.db2.gz ZWZXOJIYMSORDC-LBPRGKRZSA-N 1 2 283.335 0.956 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC001269100715 813215858 /nfs/dbraw/zinc/21/58/58/813215858.db2.gz DFJPSBVFFOIVST-CYBMUJFWSA-N 1 2 286.335 0.130 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC001269100715 813215860 /nfs/dbraw/zinc/21/58/60/813215860.db2.gz DFJPSBVFFOIVST-CYBMUJFWSA-N 1 2 286.335 0.130 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001269138607 813234878 /nfs/dbraw/zinc/23/48/78/813234878.db2.gz SWEFDCDHOCXESJ-SNVBAGLBSA-N 1 2 294.380 0.249 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001269138607 813234883 /nfs/dbraw/zinc/23/48/83/813234883.db2.gz SWEFDCDHOCXESJ-SNVBAGLBSA-N 1 2 294.380 0.249 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001269150925 813242766 /nfs/dbraw/zinc/24/27/66/813242766.db2.gz DVXLSCWYYMIOSH-DOMZBBRYSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001269150925 813242772 /nfs/dbraw/zinc/24/27/72/813242772.db2.gz DVXLSCWYYMIOSH-DOMZBBRYSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001269224542 813273872 /nfs/dbraw/zinc/27/38/72/813273872.db2.gz WREBHZVSXDIHPR-IUODEOHRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001269224542 813273879 /nfs/dbraw/zinc/27/38/79/813273879.db2.gz WREBHZVSXDIHPR-IUODEOHRSA-N 1 2 292.383 0.438 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001269223989 813274374 /nfs/dbraw/zinc/27/43/74/813274374.db2.gz SKBIHKDLPOZIIS-GJZGRUSLSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001269223989 813274379 /nfs/dbraw/zinc/27/43/79/813274379.db2.gz SKBIHKDLPOZIIS-GJZGRUSLSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CCN1CC[C@]2(CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001269298306 813315311 /nfs/dbraw/zinc/31/53/11/813315311.db2.gz GPCCXKMUUWMQAQ-OAHLLOKOSA-N 1 2 288.351 0.663 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC001269764002 813497459 /nfs/dbraw/zinc/49/74/59/813497459.db2.gz LGPJLULQKNNWCH-UHFFFAOYSA-N 1 2 292.383 0.687 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)CCc1c[nH+]cn1C ZINC001270577197 813819092 /nfs/dbraw/zinc/81/90/92/813819092.db2.gz CVJSNOOSZHMYKG-LLVKDONJSA-N 1 2 263.345 0.218 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059250333 814010472 /nfs/dbraw/zinc/01/04/72/814010472.db2.gz QAGDCBQNMJAQEV-JOCQHMNTSA-N 1 2 296.334 0.909 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCF)C2)nn1 ZINC001098700069 814041760 /nfs/dbraw/zinc/04/17/60/814041760.db2.gz CUDXTVGHWFEJOR-ZDUSSCGKSA-N 1 2 293.346 0.524 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCc2ccncn2)C1 ZINC001271297990 814368640 /nfs/dbraw/zinc/36/86/40/814368640.db2.gz RGQDOHIFSDNBIZ-UHFFFAOYSA-N 1 2 290.367 0.148 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001271361146 814391942 /nfs/dbraw/zinc/39/19/42/814391942.db2.gz KIDFHBYEHFJCQS-CYBMUJFWSA-N 1 2 298.427 0.913 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029567320 814434071 /nfs/dbraw/zinc/43/40/71/814434071.db2.gz RVOICOLSGWXWGT-TXEJJXNPSA-N 1 2 273.340 0.459 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)COCC(F)F ZINC001280412975 814505915 /nfs/dbraw/zinc/50/59/15/814505915.db2.gz VFVTZIYUASXSIJ-NSHDSACASA-N 1 2 292.326 0.661 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)COCC(F)F ZINC001280412975 814505919 /nfs/dbraw/zinc/50/59/19/814505919.db2.gz VFVTZIYUASXSIJ-NSHDSACASA-N 1 2 292.326 0.661 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029679342 814536160 /nfs/dbraw/zinc/53/61/60/814536160.db2.gz ZQFSYVDPKCIFOO-GHMZBOCLSA-N 1 2 293.396 0.978 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029679342 814536163 /nfs/dbraw/zinc/53/61/63/814536163.db2.gz ZQFSYVDPKCIFOO-GHMZBOCLSA-N 1 2 293.396 0.978 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cc(C)on2)C1 ZINC001271941237 814637705 /nfs/dbraw/zinc/63/77/05/814637705.db2.gz MSFRNPOQASDMDW-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(C)on2)C1 ZINC001271941237 814637709 /nfs/dbraw/zinc/63/77/09/814637709.db2.gz MSFRNPOQASDMDW-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C=CC[N@H+]1CCC[C@](CO)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001271949271 814641795 /nfs/dbraw/zinc/64/17/95/814641795.db2.gz HZFHKOWPAYAZBC-HNNXBMFYSA-N 1 2 282.384 0.731 20 30 CCEDLO C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001271949271 814641800 /nfs/dbraw/zinc/64/18/00/814641800.db2.gz HZFHKOWPAYAZBC-HNNXBMFYSA-N 1 2 282.384 0.731 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(C)C ZINC001271951669 814647089 /nfs/dbraw/zinc/64/70/89/814647089.db2.gz PSEZKDAXGGGNHD-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(C)C ZINC001271951669 814647094 /nfs/dbraw/zinc/64/70/94/814647094.db2.gz PSEZKDAXGGGNHD-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCO1 ZINC001271998679 814673276 /nfs/dbraw/zinc/67/32/76/814673276.db2.gz XEZWXYWMSHSZNP-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCO1 ZINC001271998679 814673280 /nfs/dbraw/zinc/67/32/80/814673280.db2.gz XEZWXYWMSHSZNP-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCCCC[C@@H](NCC#N)C1 ZINC001088414209 814678866 /nfs/dbraw/zinc/67/88/66/814678866.db2.gz ZPUZKZSOUMGXHM-CYBMUJFWSA-N 1 2 289.383 0.847 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC=C)C2)nn1 ZINC001098638597 814851320 /nfs/dbraw/zinc/85/13/20/814851320.db2.gz ZHTMKXKYPHTKFK-CQSZACIVSA-N 1 2 287.367 0.741 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 ZINC001211912643 814866704 /nfs/dbraw/zinc/86/67/04/814866704.db2.gz XXHNWNLEYKKZME-QJPTWQEYSA-N 1 2 270.398 0.577 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 ZINC001211912643 814866706 /nfs/dbraw/zinc/86/67/06/814866706.db2.gz XXHNWNLEYKKZME-QJPTWQEYSA-N 1 2 270.398 0.577 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CC(OCC)C2)C1 ZINC001030275237 815946520 /nfs/dbraw/zinc/94/65/20/815946520.db2.gz VZCASCHCDRBRHE-UHFFFAOYSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105891513 815955209 /nfs/dbraw/zinc/95/52/09/815955209.db2.gz FTMFAVOXMFASJY-JQWIXIFHSA-N 1 2 294.355 0.265 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NC3CN(CC#N)C3)ccn12 ZINC001030311414 815970479 /nfs/dbraw/zinc/97/04/79/815970479.db2.gz PMKTUDBTHBDWKT-UHFFFAOYSA-N 1 2 269.308 0.580 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C)CC3)C2)nn1 ZINC001098676668 815979951 /nfs/dbraw/zinc/97/99/51/815979951.db2.gz RYGHKBOIGVOHGT-ZDUSSCGKSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001030382639 816004525 /nfs/dbraw/zinc/00/45/25/816004525.db2.gz NICIYTMPMGMSFP-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001098981356 816045123 /nfs/dbraw/zinc/04/51/23/816045123.db2.gz BGMQDUKWVZEHAL-QWRGUYRKSA-N 1 2 280.372 0.238 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001098981356 816045130 /nfs/dbraw/zinc/04/51/30/816045130.db2.gz BGMQDUKWVZEHAL-QWRGUYRKSA-N 1 2 280.372 0.238 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001030701420 816234359 /nfs/dbraw/zinc/23/43/59/816234359.db2.gz PJEQGFDBIXOFLC-IAQYHMDHSA-N 1 2 286.379 0.899 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001030721605 816249696 /nfs/dbraw/zinc/24/96/96/816249696.db2.gz KTVGUTXPRQTDAT-LBPRGKRZSA-N 1 2 289.383 0.525 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001030726063 816252248 /nfs/dbraw/zinc/25/22/48/816252248.db2.gz YNWHXAZGJKULHM-RYUDHWBXSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001030849928 816344153 /nfs/dbraw/zinc/34/41/53/816344153.db2.gz NQUBGJHXOWFJGY-ZDUSSCGKSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001272348760 816349756 /nfs/dbraw/zinc/34/97/56/816349756.db2.gz UQPBUCIOYBKXFF-KBPBESRZSA-N 1 2 294.395 0.942 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001272348760 816349763 /nfs/dbraw/zinc/34/97/63/816349763.db2.gz UQPBUCIOYBKXFF-KBPBESRZSA-N 1 2 294.395 0.942 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001030861277 816361531 /nfs/dbraw/zinc/36/15/31/816361531.db2.gz PPHGCHBXBRUKIM-NSHDSACASA-N 1 2 275.356 0.601 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001272496149 816506874 /nfs/dbraw/zinc/50/68/74/816506874.db2.gz LZODZBVHFCECKB-GFCCVEGCSA-N 1 2 294.355 0.138 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001030987481 816535731 /nfs/dbraw/zinc/53/57/31/816535731.db2.gz QBTPEYVIXNDXIT-CMPLNLGQSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001031037638 816593844 /nfs/dbraw/zinc/59/38/44/816593844.db2.gz HPFHWNMGKVBXSX-HNNXBMFYSA-N 1 2 288.322 0.953 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031089047 816634886 /nfs/dbraw/zinc/63/48/86/816634886.db2.gz UCLHEQAQVVQHSO-STQMWFEESA-N 1 2 268.357 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001031095083 816639993 /nfs/dbraw/zinc/63/99/93/816639993.db2.gz ZABBGKSNYWALAO-JTQLQIEISA-N 1 2 251.330 0.032 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2ncc3ccccc32)C1 ZINC001031117123 816661345 /nfs/dbraw/zinc/66/13/45/816661345.db2.gz HMVQQEKGFMBKDX-UHFFFAOYSA-N 1 2 282.347 0.860 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001031153270 816710001 /nfs/dbraw/zinc/71/00/01/816710001.db2.gz JJXAMXFRCFWFCW-UHFFFAOYSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001031154587 816712834 /nfs/dbraw/zinc/71/28/34/816712834.db2.gz RJVZIXQJXCOPOM-NEPJUHHUSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccccc1)C2 ZINC001272594670 816765876 /nfs/dbraw/zinc/76/58/76/816765876.db2.gz ZAHIVSSRGRMJFP-UHFFFAOYSA-N 1 2 270.332 0.733 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001031313028 816961916 /nfs/dbraw/zinc/96/19/16/816961916.db2.gz YCCBGCMOGLMLMD-LBPRGKRZSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001031313027 816962045 /nfs/dbraw/zinc/96/20/45/816962045.db2.gz YCCBGCMOGLMLMD-GFCCVEGCSA-N 1 2 277.368 0.259 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCOC)C1 ZINC001031314465 816965382 /nfs/dbraw/zinc/96/53/82/816965382.db2.gz WCAUPKGGVMBYFQ-UHFFFAOYSA-N 1 2 272.348 0.657 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001031379369 817012188 /nfs/dbraw/zinc/01/21/88/817012188.db2.gz SDMHEYPPGFFTIM-UHFFFAOYSA-N 1 2 260.341 0.393 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001031377576 817012990 /nfs/dbraw/zinc/01/29/90/817012990.db2.gz UITXEGNKDKGYRN-UHFFFAOYSA-N 1 2 271.320 0.223 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031526283 817108960 /nfs/dbraw/zinc/10/89/60/817108960.db2.gz PRNQAEOAKXBAON-LLVKDONJSA-N 1 2 258.749 0.966 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001127605211 817333995 /nfs/dbraw/zinc/33/39/95/817333995.db2.gz UQADBVSPKOPEJE-YPMHNXCESA-N 1 2 294.355 0.565 20 30 CCEDLO C#C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC001212295019 817355275 /nfs/dbraw/zinc/35/52/75/817355275.db2.gz VNYUMECMFHSASA-CQSZACIVSA-N 1 2 293.392 0.443 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031776034 817356600 /nfs/dbraw/zinc/35/66/00/817356600.db2.gz OICPQTSTDGYILH-GFCCVEGCSA-N 1 2 273.340 0.017 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](O)C1 ZINC001083777432 817537981 /nfs/dbraw/zinc/53/79/81/817537981.db2.gz VNUBGVAPDVDNCQ-MNOVXSKESA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](O)C1 ZINC001083777432 817537982 /nfs/dbraw/zinc/53/79/82/817537982.db2.gz VNUBGVAPDVDNCQ-MNOVXSKESA-N 1 2 277.324 0.513 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001124765009 817567124 /nfs/dbraw/zinc/56/71/24/817567124.db2.gz HSFUNWDNIUXRAZ-UHFFFAOYSA-N 1 2 280.328 0.355 20 30 CCEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107146122 817792968 /nfs/dbraw/zinc/79/29/68/817792968.db2.gz WVXZDQLYCRBUMX-UHFFFAOYSA-N 1 2 291.355 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)n1 ZINC001032304159 817821430 /nfs/dbraw/zinc/82/14/30/817821430.db2.gz VCYZSPMCJZWQGZ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)n1 ZINC001032304159 817821439 /nfs/dbraw/zinc/82/14/39/817821439.db2.gz VCYZSPMCJZWQGZ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001077598054 817860193 /nfs/dbraw/zinc/86/01/93/817860193.db2.gz YFAZPCILTDSBOI-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001077598054 817860204 /nfs/dbraw/zinc/86/02/04/817860204.db2.gz YFAZPCILTDSBOI-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO Cc1nc(NC[C@@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001107627036 817907212 /nfs/dbraw/zinc/90/72/12/817907212.db2.gz MFGPLSMGOSUFIV-SECBINFHSA-N 1 2 279.369 0.958 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(F)F)C1 ZINC001107673512 817931045 /nfs/dbraw/zinc/93/10/45/817931045.db2.gz NRMWOYOVAAZNQQ-GFCCVEGCSA-N 1 2 260.284 0.482 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)F)C1 ZINC001107673512 817931041 /nfs/dbraw/zinc/93/10/41/817931041.db2.gz NRMWOYOVAAZNQQ-GFCCVEGCSA-N 1 2 260.284 0.482 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOC)C1 ZINC001107667256 817935237 /nfs/dbraw/zinc/93/52/37/817935237.db2.gz IFJGZSPXOBLNFI-ZDUSSCGKSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOC)C1 ZINC001107667256 817935243 /nfs/dbraw/zinc/93/52/43/817935243.db2.gz IFJGZSPXOBLNFI-ZDUSSCGKSA-N 1 2 256.346 0.416 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691273 817943803 /nfs/dbraw/zinc/94/38/03/817943803.db2.gz WPCZDXVLACOLHG-MRXNPFEDSA-N 1 2 287.363 0.926 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691273 817943808 /nfs/dbraw/zinc/94/38/08/817943808.db2.gz WPCZDXVLACOLHG-MRXNPFEDSA-N 1 2 287.363 0.926 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107713487 817957039 /nfs/dbraw/zinc/95/70/39/817957039.db2.gz QEJHWLVCFAEOIG-CQSZACIVSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107713487 817957041 /nfs/dbraw/zinc/95/70/41/817957041.db2.gz QEJHWLVCFAEOIG-CQSZACIVSA-N 1 2 282.340 0.268 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001032355587 817975613 /nfs/dbraw/zinc/97/56/13/817975613.db2.gz GIXAXOKCTMDQOI-RDBSUJKOSA-N 1 2 257.337 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001032355587 817975616 /nfs/dbraw/zinc/97/56/16/817975616.db2.gz GIXAXOKCTMDQOI-RDBSUJKOSA-N 1 2 257.337 0.967 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CSCC#N)C1 ZINC001107752250 817983673 /nfs/dbraw/zinc/98/36/73/817983673.db2.gz QWTKYNHDNIPNGI-CYBMUJFWSA-N 1 2 283.397 0.636 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CSCC#N)C1 ZINC001107752250 817983679 /nfs/dbraw/zinc/98/36/79/817983679.db2.gz QWTKYNHDNIPNGI-CYBMUJFWSA-N 1 2 283.397 0.636 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107806446 818019852 /nfs/dbraw/zinc/01/98/52/818019852.db2.gz FHQBRVYSHQKIJG-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107806446 818019861 /nfs/dbraw/zinc/01/98/61/818019861.db2.gz FHQBRVYSHQKIJG-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 ZINC001078775818 818049417 /nfs/dbraw/zinc/04/94/17/818049417.db2.gz AEFHTEOVNLYCQV-STQMWFEESA-N 1 2 287.367 0.503 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128362995 818202870 /nfs/dbraw/zinc/20/28/70/818202870.db2.gz OTPKAFMJMVVXKU-LBPRGKRZSA-N 1 2 290.367 0.373 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128362995 818202877 /nfs/dbraw/zinc/20/28/77/818202877.db2.gz OTPKAFMJMVVXKU-LBPRGKRZSA-N 1 2 290.367 0.373 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089998052 818241696 /nfs/dbraw/zinc/24/16/96/818241696.db2.gz TUBZNMUGMCQUED-BDAKNGLRSA-N 1 2 282.718 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089998052 818241700 /nfs/dbraw/zinc/24/17/00/818241700.db2.gz TUBZNMUGMCQUED-BDAKNGLRSA-N 1 2 282.718 0.946 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3nccs3)C2)OCC1=O ZINC001273014490 818409037 /nfs/dbraw/zinc/40/90/37/818409037.db2.gz PKUVIKWRKZMVJW-AWEZNQCLSA-N 1 2 291.376 0.580 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3nccs3)C2)OCC1=O ZINC001273014490 818409043 /nfs/dbraw/zinc/40/90/43/818409043.db2.gz PKUVIKWRKZMVJW-AWEZNQCLSA-N 1 2 291.376 0.580 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090087128 818485769 /nfs/dbraw/zinc/48/57/69/818485769.db2.gz IHIGUUPRURMBEZ-WCQYABFASA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090087128 818485773 /nfs/dbraw/zinc/48/57/73/818485773.db2.gz IHIGUUPRURMBEZ-WCQYABFASA-N 1 2 297.786 0.943 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033104741 818523447 /nfs/dbraw/zinc/52/34/47/818523447.db2.gz ZBCTVORRSZFADE-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033104741 818523455 /nfs/dbraw/zinc/52/34/55/818523455.db2.gz ZBCTVORRSZFADE-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033104741 818523461 /nfs/dbraw/zinc/52/34/61/818523461.db2.gz ZBCTVORRSZFADE-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033104741 818523469 /nfs/dbraw/zinc/52/34/69/818523469.db2.gz ZBCTVORRSZFADE-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120547 818545363 /nfs/dbraw/zinc/54/53/63/818545363.db2.gz XQCBZBSPQLKVRX-NSHDSACASA-N 1 2 283.763 0.563 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120547 818545374 /nfs/dbraw/zinc/54/53/74/818545374.db2.gz XQCBZBSPQLKVRX-NSHDSACASA-N 1 2 283.763 0.563 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](C[C@H]1COC(C)(C)O1)C2 ZINC001273079270 818577648 /nfs/dbraw/zinc/57/76/48/818577648.db2.gz KUENPTCMUAGURU-LBPRGKRZSA-N 1 2 296.367 0.237 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1cnon1)OCC ZINC001128540464 818614713 /nfs/dbraw/zinc/61/47/13/818614713.db2.gz WKIALLROARAZOY-GFCCVEGCSA-N 1 2 282.344 0.647 20 30 CCEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCN(CC#N)C1 ZINC001033207310 818651372 /nfs/dbraw/zinc/65/13/72/818651372.db2.gz KOWKHVULDKFJJX-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001033248864 818675620 /nfs/dbraw/zinc/67/56/20/818675620.db2.gz PATKSYRAZWHRLY-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001033248864 818675626 /nfs/dbraw/zinc/67/56/26/818675626.db2.gz PATKSYRAZWHRLY-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@@H](O)C1 ZINC001083851970 818684861 /nfs/dbraw/zinc/68/48/61/818684861.db2.gz YZIMSMYOKRRCOF-HZMVEIRTSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@@H](O)C1 ZINC001083851970 818684867 /nfs/dbraw/zinc/68/48/67/818684867.db2.gz YZIMSMYOKRRCOF-HZMVEIRTSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001033273175 818687836 /nfs/dbraw/zinc/68/78/36/818687836.db2.gz RPFDDNALNHHWHP-LLVKDONJSA-N 1 2 289.335 0.163 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001033273175 818687838 /nfs/dbraw/zinc/68/78/38/818687838.db2.gz RPFDDNALNHHWHP-LLVKDONJSA-N 1 2 289.335 0.163 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(CC#N)C1 ZINC001033434039 818768822 /nfs/dbraw/zinc/76/88/22/818768822.db2.gz ZNTSTOCRQKCXFH-YNEHKIRRSA-N 1 2 287.367 0.580 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001033422379 818771095 /nfs/dbraw/zinc/77/10/95/818771095.db2.gz RHAXXJFWIKEYJK-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001033422379 818771100 /nfs/dbraw/zinc/77/11/00/818771100.db2.gz RHAXXJFWIKEYJK-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189625 819071261 /nfs/dbraw/zinc/07/12/61/819071261.db2.gz PFQGHSVEZRZVOF-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090189625 819071264 /nfs/dbraw/zinc/07/12/64/819071264.db2.gz PFQGHSVEZRZVOF-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034375379 819183031 /nfs/dbraw/zinc/18/30/31/819183031.db2.gz ANDOQWPZHROURC-NSHDSACASA-N 1 2 276.340 0.343 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034375379 819183037 /nfs/dbraw/zinc/18/30/37/819183037.db2.gz ANDOQWPZHROURC-NSHDSACASA-N 1 2 276.340 0.343 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128980137 819260943 /nfs/dbraw/zinc/26/09/43/819260943.db2.gz OYJOXUNPEZOJAR-KGLIPLIRSA-N 1 2 299.378 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128980137 819260949 /nfs/dbraw/zinc/26/09/49/819260949.db2.gz OYJOXUNPEZOJAR-KGLIPLIRSA-N 1 2 299.378 0.302 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108158825 819331053 /nfs/dbraw/zinc/33/10/53/819331053.db2.gz LXXSLAQZOOVAOA-KGLIPLIRSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108158825 819331058 /nfs/dbraw/zinc/33/10/58/819331058.db2.gz LXXSLAQZOOVAOA-KGLIPLIRSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035291482 819438250 /nfs/dbraw/zinc/43/82/50/819438250.db2.gz XDJPWTFVYNUSII-RYUDHWBXSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035291482 819438256 /nfs/dbraw/zinc/43/82/56/819438256.db2.gz XDJPWTFVYNUSII-RYUDHWBXSA-N 1 2 254.330 0.168 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cscn2)C1 ZINC001035318411 819467592 /nfs/dbraw/zinc/46/75/92/819467592.db2.gz VBFVLOMNTXXGFN-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cscn2)C1 ZINC001035318411 819467595 /nfs/dbraw/zinc/46/75/95/819467595.db2.gz VBFVLOMNTXXGFN-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035318164 819467705 /nfs/dbraw/zinc/46/77/05/819467705.db2.gz AERICEKQASRVBK-HNNXBMFYSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035318164 819467708 /nfs/dbraw/zinc/46/77/08/819467708.db2.gz AERICEKQASRVBK-HNNXBMFYSA-N 1 2 287.363 0.844 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001035320787 819468635 /nfs/dbraw/zinc/46/86/35/819468635.db2.gz SODRJRTYENDHKV-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001035320787 819468638 /nfs/dbraw/zinc/46/86/38/819468638.db2.gz SODRJRTYENDHKV-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035350180 819495125 /nfs/dbraw/zinc/49/51/25/819495125.db2.gz OUZWUANWSDQYMO-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035350180 819495130 /nfs/dbraw/zinc/49/51/30/819495130.db2.gz OUZWUANWSDQYMO-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174523 819507505 /nfs/dbraw/zinc/50/75/05/819507505.db2.gz GIRRNRDHZNLLIS-UTUOFQBUSA-N 1 2 281.335 0.554 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174523 819507511 /nfs/dbraw/zinc/50/75/11/819507511.db2.gz GIRRNRDHZNLLIS-UTUOFQBUSA-N 1 2 281.335 0.554 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428228 819512918 /nfs/dbraw/zinc/51/29/18/819512918.db2.gz YBSKJQBLSJJXHK-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428228 819512924 /nfs/dbraw/zinc/51/29/24/819512924.db2.gz YBSKJQBLSJJXHK-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C#CCN1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035416387 819520955 /nfs/dbraw/zinc/52/09/55/819520955.db2.gz JOUMCALSRNBXQO-ZDUSSCGKSA-N 1 2 298.346 0.627 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncn2C)C1 ZINC001035436234 819524117 /nfs/dbraw/zinc/52/41/17/819524117.db2.gz WQRGXJNLDFRFQM-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncn2C)C1 ZINC001035436234 819524123 /nfs/dbraw/zinc/52/41/23/819524123.db2.gz WQRGXJNLDFRFQM-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001035447700 819527067 /nfs/dbraw/zinc/52/70/67/819527067.db2.gz YEYQRQATFPSRIB-FMKPAKJESA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001035447700 819527073 /nfs/dbraw/zinc/52/70/73/819527073.db2.gz YEYQRQATFPSRIB-FMKPAKJESA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2OC)C1 ZINC001035493377 819548606 /nfs/dbraw/zinc/54/86/06/819548606.db2.gz JAXBHSOCKHEPJH-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2OC)C1 ZINC001035493377 819548610 /nfs/dbraw/zinc/54/86/10/819548610.db2.gz JAXBHSOCKHEPJH-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001036314925 819724014 /nfs/dbraw/zinc/72/40/14/819724014.db2.gz PCLYSGIKIMIKOI-NWDGAFQWSA-N 1 2 261.329 0.233 20 30 CCEDLO CNC(=O)C1C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000459611725 819957751 /nfs/dbraw/zinc/95/77/51/819957751.db2.gz QFJDATBZGHBGER-UHFFFAOYSA-N 1 2 269.308 0.384 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001081674024 820815702 /nfs/dbraw/zinc/81/57/02/820815702.db2.gz VQEAYFMLRIVPNI-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001081674024 820815706 /nfs/dbraw/zinc/81/57/06/820815706.db2.gz VQEAYFMLRIVPNI-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](OC)C1 ZINC001081853672 820856571 /nfs/dbraw/zinc/85/65/71/820856571.db2.gz QEPOROGVYMXAOV-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](OC)C1 ZINC001081853672 820856580 /nfs/dbraw/zinc/85/65/80/820856580.db2.gz QEPOROGVYMXAOV-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081853672 820856597 /nfs/dbraw/zinc/85/65/97/820856597.db2.gz QEPOROGVYMXAOV-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@H](OC)C1 ZINC001082120680 820900780 /nfs/dbraw/zinc/90/07/80/820900780.db2.gz LYJAGJLGKHJMJE-CHWSQXEVSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@H](OC)C1 ZINC001082120680 820900784 /nfs/dbraw/zinc/90/07/84/820900784.db2.gz LYJAGJLGKHJMJE-CHWSQXEVSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@H](OC)C1 ZINC001082246260 820921469 /nfs/dbraw/zinc/92/14/69/820921469.db2.gz ZOMLWZQBRATALM-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@H](OC)C1 ZINC001082246260 820921472 /nfs/dbraw/zinc/92/14/72/820921472.db2.gz ZOMLWZQBRATALM-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 ZINC001082307017 820935196 /nfs/dbraw/zinc/93/51/96/820935196.db2.gz NZQZOUKPMZJYOB-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 ZINC001082307017 820935203 /nfs/dbraw/zinc/93/52/03/820935203.db2.gz NZQZOUKPMZJYOB-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@H](OC)C1 ZINC001082347806 820942365 /nfs/dbraw/zinc/94/23/65/820942365.db2.gz UYFGJMFESVLJQP-VXGBXAGGSA-N 1 2 276.340 0.034 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@H](OC)C1 ZINC001082347806 820942371 /nfs/dbraw/zinc/94/23/71/820942371.db2.gz UYFGJMFESVLJQP-VXGBXAGGSA-N 1 2 276.340 0.034 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2CC)[C@H](OC)C1 ZINC001082371042 820948439 /nfs/dbraw/zinc/94/84/39/820948439.db2.gz PRHKUAIOWXHHMY-TZMCWYRMSA-N 1 2 275.352 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC)[C@H](OC)C1 ZINC001082371042 820948443 /nfs/dbraw/zinc/94/84/43/820948443.db2.gz PRHKUAIOWXHHMY-TZMCWYRMSA-N 1 2 275.352 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC001083001288 821099595 /nfs/dbraw/zinc/09/95/95/821099595.db2.gz CJYNQYWEXQNLAK-QWHCGFSZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC001083001288 821099603 /nfs/dbraw/zinc/09/96/03/821099603.db2.gz CJYNQYWEXQNLAK-QWHCGFSZSA-N 1 2 264.369 0.967 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncccc3C)[C@H]2C1 ZINC001083042058 821122631 /nfs/dbraw/zinc/12/26/31/821122631.db2.gz PZRFDWVMURQVBD-LSDHHAIUSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncccc3C)[C@H]2C1 ZINC001083042058 821122640 /nfs/dbraw/zinc/12/26/40/821122640.db2.gz PZRFDWVMURQVBD-LSDHHAIUSA-N 1 2 299.374 0.939 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn3CC=C)[C@H]2C1 ZINC001083106130 821142509 /nfs/dbraw/zinc/14/25/09/821142509.db2.gz MJQARBHCPOJFFB-JKSUJKDBSA-N 1 2 299.374 0.833 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn3CC=C)[C@H]2C1 ZINC001083106130 821142515 /nfs/dbraw/zinc/14/25/15/821142515.db2.gz MJQARBHCPOJFFB-JKSUJKDBSA-N 1 2 299.374 0.833 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](O)C1 ZINC001083972679 821175153 /nfs/dbraw/zinc/17/51/53/821175153.db2.gz DDMVJVBLVMGWQE-SYQHCUMBSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](O)C1 ZINC001083972679 821175160 /nfs/dbraw/zinc/17/51/60/821175160.db2.gz DDMVJVBLVMGWQE-SYQHCUMBSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001084077145 821185329 /nfs/dbraw/zinc/18/53/29/821185329.db2.gz HVGZWKHMTKTPFD-IQXANGCESA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001084077145 821185335 /nfs/dbraw/zinc/18/53/35/821185335.db2.gz HVGZWKHMTKTPFD-IQXANGCESA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@@H](O)C1 ZINC001084088497 821197032 /nfs/dbraw/zinc/19/70/32/821197032.db2.gz AIMQPQUOSXKUQN-KFWWJZLASA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@@H](O)C1 ZINC001084088497 821197036 /nfs/dbraw/zinc/19/70/36/821197036.db2.gz AIMQPQUOSXKUQN-KFWWJZLASA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C)[C@@H]2C1 ZINC001084257929 821253853 /nfs/dbraw/zinc/25/38/53/821253853.db2.gz VQPFUWVBQUYZEM-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C)[C@@H]2C1 ZINC001084257929 821253862 /nfs/dbraw/zinc/25/38/62/821253862.db2.gz VQPFUWVBQUYZEM-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085589148 821839407 /nfs/dbraw/zinc/83/94/07/821839407.db2.gz FLNZGOWJBJXIBQ-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085589148 821839415 /nfs/dbraw/zinc/83/94/15/821839415.db2.gz FLNZGOWJBJXIBQ-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600520 821844067 /nfs/dbraw/zinc/84/40/67/821844067.db2.gz VQNMQFIJLNOLOR-CYBMUJFWSA-N 1 2 287.367 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600520 821844078 /nfs/dbraw/zinc/84/40/78/821844078.db2.gz VQNMQFIJLNOLOR-CYBMUJFWSA-N 1 2 287.367 0.783 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ccncc12 ZINC001085643474 821868478 /nfs/dbraw/zinc/86/84/78/821868478.db2.gz PHULJHBTKLVKIQ-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ccncc12 ZINC001085643474 821868485 /nfs/dbraw/zinc/86/84/85/821868485.db2.gz PHULJHBTKLVKIQ-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001085676276 821888117 /nfs/dbraw/zinc/88/81/17/821888117.db2.gz LYERKOASZFQMER-UONOGXRCSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001085676276 821888125 /nfs/dbraw/zinc/88/81/25/821888125.db2.gz LYERKOASZFQMER-UONOGXRCSA-N 1 2 286.379 0.611 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676848 821888266 /nfs/dbraw/zinc/88/82/66/821888266.db2.gz ZMIOFPLUONCPFI-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nnc(C)n2c1 ZINC001085685498 821901137 /nfs/dbraw/zinc/90/11/37/821901137.db2.gz SWQWFXQVKGNSLA-CQSZACIVSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nnc(C)n2c1 ZINC001085685498 821901145 /nfs/dbraw/zinc/90/11/45/821901145.db2.gz SWQWFXQVKGNSLA-CQSZACIVSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834357 821974425 /nfs/dbraw/zinc/97/44/25/821974425.db2.gz JDJOKYBUZGTOBR-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834357 821974431 /nfs/dbraw/zinc/97/44/31/821974431.db2.gz JDJOKYBUZGTOBR-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899925 822005105 /nfs/dbraw/zinc/00/51/05/822005105.db2.gz RAJGMKCVCHTRAP-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899925 822005109 /nfs/dbraw/zinc/00/51/09/822005109.db2.gz RAJGMKCVCHTRAP-LLVKDONJSA-N 1 2 277.324 0.601 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897906 822008442 /nfs/dbraw/zinc/00/84/42/822008442.db2.gz QRTLHNDLGPPXIE-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897906 822008446 /nfs/dbraw/zinc/00/84/46/822008446.db2.gz QRTLHNDLGPPXIE-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nn1 ZINC001085929819 822021182 /nfs/dbraw/zinc/02/11/82/822021182.db2.gz HKSRKDLCDJKYSH-LBPRGKRZSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nn1 ZINC001085929819 822021190 /nfs/dbraw/zinc/02/11/90/822021190.db2.gz HKSRKDLCDJKYSH-LBPRGKRZSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001085976040 822045958 /nfs/dbraw/zinc/04/59/58/822045958.db2.gz MGOUCBBIBJEYMB-GFCCVEGCSA-N 1 2 272.352 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001085976040 822045968 /nfs/dbraw/zinc/04/59/68/822045968.db2.gz MGOUCBBIBJEYMB-GFCCVEGCSA-N 1 2 272.352 0.819 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086404806 822242652 /nfs/dbraw/zinc/24/26/52/822242652.db2.gz PKSKFVMQZKMKFE-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114063316 837424429 /nfs/dbraw/zinc/42/44/29/837424429.db2.gz BCHHLDCLGBTKRU-MEWQQHAOSA-N 1 2 273.340 0.126 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114063316 837424436 /nfs/dbraw/zinc/42/44/36/837424436.db2.gz BCHHLDCLGBTKRU-MEWQQHAOSA-N 1 2 273.340 0.126 20 30 CCEDLO N#Cc1ccc2ncnc(-n3[nH]c(=O)nc3C[NH3+])c2c1 ZINC001157933331 837734489 /nfs/dbraw/zinc/73/44/89/837734489.db2.gz UBWHDRBFYVIZHB-UHFFFAOYSA-N 1 2 267.252 0.246 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(Cl)nc(CC#N)n2)C[NH2+]1 ZINC001169128514 836143412 /nfs/dbraw/zinc/14/34/12/836143412.db2.gz BVKLHTDLJMJAPB-SFYZADRCSA-N 1 2 295.730 0.511 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C)ccnc2C#N)C[NH2+]1 ZINC001169136306 836148358 /nfs/dbraw/zinc/14/83/58/836148358.db2.gz IXDDJDXSVZEJKC-ZJUUUORDSA-N 1 2 260.297 0.577 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl ZINC001156320122 836281013 /nfs/dbraw/zinc/28/10/13/836281013.db2.gz RKAQVYVIECICAK-ZETCQYMHSA-N 1 2 277.715 0.531 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC(=C)C)C2)C1 ZINC001108520272 836404319 /nfs/dbraw/zinc/40/43/19/836404319.db2.gz RJHQMZXZDFAGDB-ZDUSSCGKSA-N 1 2 291.395 0.930 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](F)CC)CC2=O)C1 ZINC001108563580 836453258 /nfs/dbraw/zinc/45/32/58/836453258.db2.gz PYFJFFFCOYXVBA-YPMHNXCESA-N 1 2 297.374 0.712 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843310 836545644 /nfs/dbraw/zinc/54/56/44/836545644.db2.gz LAKBXDMHAPLESU-VWYCJHECSA-N 1 2 272.295 0.623 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843310 836545650 /nfs/dbraw/zinc/54/56/50/836545650.db2.gz LAKBXDMHAPLESU-VWYCJHECSA-N 1 2 272.295 0.623 20 30 CCEDLO Cc1nc(N(C)C[C@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001108881077 836558199 /nfs/dbraw/zinc/55/81/99/836558199.db2.gz WUHVBPMPJUWRRQ-UWVGGRQHSA-N 1 2 261.329 0.886 20 30 CCEDLO C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001109014277 836598970 /nfs/dbraw/zinc/59/89/70/836598970.db2.gz HJXBJEQKWLFAFN-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109057889 836609917 /nfs/dbraw/zinc/60/99/17/836609917.db2.gz QMEJGQNKHQLSPB-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109080083 836612457 /nfs/dbraw/zinc/61/24/57/836612457.db2.gz LBLOSXSMOBVTOO-RYDUCSDGSA-N 1 2 290.367 0.146 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109080083 836612460 /nfs/dbraw/zinc/61/24/60/836612460.db2.gz LBLOSXSMOBVTOO-RYDUCSDGSA-N 1 2 290.367 0.146 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078214 836613425 /nfs/dbraw/zinc/61/34/25/836613425.db2.gz HEBHTPDKGVXWON-NDBYEHHHSA-N 1 2 292.383 0.346 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078214 836613430 /nfs/dbraw/zinc/61/34/30/836613430.db2.gz HEBHTPDKGVXWON-NDBYEHHHSA-N 1 2 292.383 0.346 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001109127839 836622978 /nfs/dbraw/zinc/62/29/78/836622978.db2.gz ZZUHBCUKWRUFHG-WOPDTQHZSA-N 1 2 273.340 0.092 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001109127839 836622983 /nfs/dbraw/zinc/62/29/83/836622983.db2.gz ZZUHBCUKWRUFHG-WOPDTQHZSA-N 1 2 273.340 0.092 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)NCC)C2 ZINC001109175546 836629596 /nfs/dbraw/zinc/62/95/96/836629596.db2.gz PYKHMMHKAVZDLI-WOPDTQHZSA-N 1 2 299.802 0.987 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)NCC)C2 ZINC001109175546 836629598 /nfs/dbraw/zinc/62/95/98/836629598.db2.gz PYKHMMHKAVZDLI-WOPDTQHZSA-N 1 2 299.802 0.987 20 30 CCEDLO CN(CCCNc1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633852 836707316 /nfs/dbraw/zinc/70/73/16/836707316.db2.gz SKYWMIVVDFHVHQ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC001112710480 836880879 /nfs/dbraw/zinc/88/08/79/836880879.db2.gz BWUVGHWMOZTUGL-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO CC(C)COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112718489 836880994 /nfs/dbraw/zinc/88/09/94/836880994.db2.gz LORNELSZHDMFJG-KGLIPLIRSA-N 1 2 297.399 0.324 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001112978093 836985256 /nfs/dbraw/zinc/98/52/56/836985256.db2.gz AULVKJZZUFCTLS-KBPBESRZSA-N 1 2 298.383 0.137 20 30 CCEDLO C[C@@H](Nc1nccnc1C#N)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113083413 837017988 /nfs/dbraw/zinc/01/79/88/837017988.db2.gz ZLJORNJNVRSYJE-WDEREUQCSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113082425 837018719 /nfs/dbraw/zinc/01/87/19/837018719.db2.gz RPDRKENNFWVOCD-QWRGUYRKSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccncc1C#N ZINC001113154502 837041654 /nfs/dbraw/zinc/04/16/54/837041654.db2.gz FGQYVPVDCCVRLS-WDEREUQCSA-N 1 2 298.350 0.646 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1nccnc1C#N ZINC001113313964 837085355 /nfs/dbraw/zinc/08/53/55/837085355.db2.gz OUIBLOGDEIWSSQ-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCCC1(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113310575 837085486 /nfs/dbraw/zinc/08/54/86/837085486.db2.gz KUKHYVKKOMSKLA-UHFFFAOYSA-N 1 2 296.411 0.886 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001113435408 837116107 /nfs/dbraw/zinc/11/61/07/837116107.db2.gz GDRHYPISSMPYFW-UHFFFAOYSA-N 1 2 292.383 0.987 20 30 CCEDLO Cc1nc(N(C)[C@H](C)CNC(=O)CSCC#N)cc[nH+]1 ZINC001113496968 837134141 /nfs/dbraw/zinc/13/41/41/837134141.db2.gz YKFNMLPTHSXJIM-SNVBAGLBSA-N 1 2 293.396 0.983 20 30 CCEDLO COc1ccnc(C(=N)Nc2cc(N(C)C)[nH+]c(C)n2)n1 ZINC001157629634 837185528 /nfs/dbraw/zinc/18/55/28/837185528.db2.gz WNLWQYLKVRQWTL-UHFFFAOYSA-N 1 2 287.327 0.687 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001113651066 837187194 /nfs/dbraw/zinc/18/71/94/837187194.db2.gz IUAXEEOQFQAGLD-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1nccnc1C#N ZINC001113898552 837358869 /nfs/dbraw/zinc/35/88/69/837358869.db2.gz WZEYDRMITPVTGN-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO Cc1[nH+]cn(-c2ccc(N[C@H](C#N)C(N)=O)nn2)c1C ZINC001170539556 837999470 /nfs/dbraw/zinc/99/94/70/837999470.db2.gz RSDWDNYWFABAHT-SECBINFHSA-N 1 2 271.284 0.069 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131742117 838200878 /nfs/dbraw/zinc/20/08/78/838200878.db2.gz APQHIPRQMZQDLQ-CMPLNLGQSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131742117 838200888 /nfs/dbraw/zinc/20/08/88/838200888.db2.gz APQHIPRQMZQDLQ-CMPLNLGQSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CC2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131747384 838201572 /nfs/dbraw/zinc/20/15/72/838201572.db2.gz KYMIQCVQOIRYCF-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CC2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131747384 838201578 /nfs/dbraw/zinc/20/15/78/838201578.db2.gz KYMIQCVQOIRYCF-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001131867332 838253406 /nfs/dbraw/zinc/25/34/06/838253406.db2.gz OKDGIBBXBJDNAQ-OAHLLOKOSA-N 1 2 292.383 0.911 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132054981 838308664 /nfs/dbraw/zinc/30/86/64/838308664.db2.gz VUZKEGFZXRWHCS-NEPJUHHUSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132054981 838308674 /nfs/dbraw/zinc/30/86/74/838308674.db2.gz VUZKEGFZXRWHCS-NEPJUHHUSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001133021501 838534917 /nfs/dbraw/zinc/53/49/17/838534917.db2.gz PCBXXNTYVQBJCG-KBPBESRZSA-N 1 2 289.383 0.871 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001134062297 838848421 /nfs/dbraw/zinc/84/84/21/838848421.db2.gz WBSBIHZBCMDFRQ-WCQGTBRESA-N 1 2 294.355 0.736 20 30 CCEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001136052948 839509728 /nfs/dbraw/zinc/50/97/28/839509728.db2.gz YTADKWKXQLDFJX-NWDGAFQWSA-N 1 2 277.372 0.749 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090703473 839745588 /nfs/dbraw/zinc/74/55/88/839745588.db2.gz GVMWQEFRXZAZPX-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090703473 839745595 /nfs/dbraw/zinc/74/55/95/839745595.db2.gz GVMWQEFRXZAZPX-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC)C(F)(F)F ZINC001144209743 839977296 /nfs/dbraw/zinc/97/72/96/839977296.db2.gz QREDDIVKKZTXGN-QMMMGPOBSA-N 1 2 280.246 0.421 20 30 CCEDLO C=C(C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC)C(F)(F)F ZINC001144209743 839977301 /nfs/dbraw/zinc/97/73/01/839977301.db2.gz QREDDIVKKZTXGN-QMMMGPOBSA-N 1 2 280.246 0.421 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186047255 844496645 /nfs/dbraw/zinc/49/66/45/844496645.db2.gz JBLMTIRBLRATIY-LLVKDONJSA-N 1 2 275.308 0.572 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186047255 844496649 /nfs/dbraw/zinc/49/66/49/844496649.db2.gz JBLMTIRBLRATIY-LLVKDONJSA-N 1 2 275.308 0.572 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001146272326 840280119 /nfs/dbraw/zinc/28/01/19/840280119.db2.gz YWSGQYOJMQIAQH-ZDUSSCGKSA-N 1 2 296.367 0.429 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(C)o2)cn1 ZINC001148382679 840796218 /nfs/dbraw/zinc/79/62/18/840796218.db2.gz AFQNWSSIQKPAEK-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO Cc1nc(NCCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001093538561 841327635 /nfs/dbraw/zinc/32/76/35/841327635.db2.gz FDMZFQSZMIUMDP-UHFFFAOYSA-N 1 2 270.296 0.827 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093692612 841428696 /nfs/dbraw/zinc/42/86/96/841428696.db2.gz DUIJONRRRNNJRT-JTQLQIEISA-N 1 2 264.329 0.904 20 30 CCEDLO CCc1nc(C#N)cc(NCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001093829378 841469654 /nfs/dbraw/zinc/46/96/54/841469654.db2.gz HMVIWKGAMNQHSC-UHFFFAOYSA-N 1 2 299.338 0.405 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC001094273441 841579319 /nfs/dbraw/zinc/57/93/19/841579319.db2.gz QMLAQNFHCULTHY-ZDUSSCGKSA-N 1 2 291.355 0.116 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1cnc(C#N)cn1 ZINC001094302271 841590360 /nfs/dbraw/zinc/59/03/60/841590360.db2.gz VNMNRJHHMPEAMD-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1ccc(C#N)cn1 ZINC001094301708 841603441 /nfs/dbraw/zinc/60/34/41/841603441.db2.gz IQQSFIYCVQBGKL-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)F)CC2=O)C1 ZINC001094695713 841707326 /nfs/dbraw/zinc/70/73/26/841707326.db2.gz WZLKAGQVWDCWRR-LLVKDONJSA-N 1 2 297.374 0.712 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccco3)CC2=O)C1 ZINC001094697763 841708943 /nfs/dbraw/zinc/70/89/43/841708943.db2.gz REEGXSZFXOWPJQ-NSHDSACASA-N 1 2 289.335 0.481 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccoc3)CC2=O)C1 ZINC001094705729 841711513 /nfs/dbraw/zinc/71/15/13/841711513.db2.gz POAXQYUCVAEYML-GFCCVEGCSA-N 1 2 289.335 0.481 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3(C)CCC3)CC2=O)C1 ZINC001094773357 841721050 /nfs/dbraw/zinc/72/10/50/841721050.db2.gz SMVMEVVWYBLYHN-LBPRGKRZSA-N 1 2 291.395 0.764 20 30 CCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172507837 841936114 /nfs/dbraw/zinc/93/61/14/841936114.db2.gz ZFRCCSWDZGYCGR-NWDGAFQWSA-N 1 2 281.356 0.822 20 30 CCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1[C@@H](C)CCCC#N ZINC001172507837 841936123 /nfs/dbraw/zinc/93/61/23/841936123.db2.gz ZFRCCSWDZGYCGR-NWDGAFQWSA-N 1 2 281.356 0.822 20 30 CCEDLO N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095004787 841995323 /nfs/dbraw/zinc/99/53/23/841995323.db2.gz HZLVSLIEZSGKSV-LOWVWBTDSA-N 1 2 273.340 0.445 20 30 CCEDLO COC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)O ZINC001173324969 842044991 /nfs/dbraw/zinc/04/49/91/842044991.db2.gz BGZZYWOEJJGCBM-YYJSSNLHSA-N 1 2 254.330 0.971 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095239910 842122181 /nfs/dbraw/zinc/12/21/81/842122181.db2.gz PZCIRLPOFGNWHZ-WYUUTHIRSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001095239910 842122186 /nfs/dbraw/zinc/12/21/86/842122186.db2.gz PZCIRLPOFGNWHZ-WYUUTHIRSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C[C@@H]1C[C@@]1(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001176837000 842424032 /nfs/dbraw/zinc/42/40/32/842424032.db2.gz VTQWDMFPJCXBIP-RNCFNFMXSA-N 1 2 263.297 0.576 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176968172 842472512 /nfs/dbraw/zinc/47/25/12/842472512.db2.gz COKUFSLMDZHYBV-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176968172 842472519 /nfs/dbraw/zinc/47/25/19/842472519.db2.gz COKUFSLMDZHYBV-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO CO/N=C(\C(=O)NCC[NH+]1CC2(COC2)C1)c1ccco1 ZINC001177355726 842564171 /nfs/dbraw/zinc/56/41/71/842564171.db2.gz PTNJDDWDKUMYAS-VBKFSLOCSA-N 1 2 293.323 0.079 20 30 CCEDLO O=C(C#Cc1cccnc1)N1CCc2[nH+]ccn2CC1 ZINC001177776799 842660888 /nfs/dbraw/zinc/66/08/88/842660888.db2.gz JMXPLSQFMCKIPZ-UHFFFAOYSA-N 1 2 266.304 0.715 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001177925669 842711703 /nfs/dbraw/zinc/71/17/03/842711703.db2.gz NZVJLVFSIXQAQB-LLVKDONJSA-N 1 2 290.323 0.749 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001178339069 842814293 /nfs/dbraw/zinc/81/42/93/842814293.db2.gz SFZXYAMVLTUEDS-JQWIXIFHSA-N 1 2 294.355 0.660 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(C#N)c(C#N)cc2N)C1 ZINC001180763210 843296715 /nfs/dbraw/zinc/29/67/15/843296715.db2.gz XYPUPRNZTNMVLS-ZDUSSCGKSA-N 1 2 285.307 0.281 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(C#N)c(C#N)cc2N)C1 ZINC001180763210 843296720 /nfs/dbraw/zinc/29/67/20/843296720.db2.gz XYPUPRNZTNMVLS-ZDUSSCGKSA-N 1 2 285.307 0.281 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(=O)OCC)CC1 ZINC001181053963 843384365 /nfs/dbraw/zinc/38/43/65/843384365.db2.gz HHKSBAIWMRQKQY-UHFFFAOYSA-N 1 2 268.357 0.906 20 30 CCEDLO N#CCCN1CCN(C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181248261 843427455 /nfs/dbraw/zinc/42/74/55/843427455.db2.gz GUKWTEBXOGQDHA-UHFFFAOYSA-N 1 2 273.340 0.264 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)CNCC#N ZINC001182760114 843904063 /nfs/dbraw/zinc/90/40/63/843904063.db2.gz SYOBGWNAHVMRDQ-BXUZGUMPSA-N 1 2 275.356 0.550 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182862012 843930158 /nfs/dbraw/zinc/93/01/58/843930158.db2.gz OWAUBSOCFMPDIM-IUCAKERBSA-N 1 2 260.359 0.057 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182862012 843930160 /nfs/dbraw/zinc/93/01/60/843930160.db2.gz OWAUBSOCFMPDIM-IUCAKERBSA-N 1 2 260.359 0.057 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001273542141 844734427 /nfs/dbraw/zinc/73/44/27/844734427.db2.gz PHWMJQBYQAIKEH-UHFFFAOYSA-N 1 2 289.335 0.501 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001188287737 844862970 /nfs/dbraw/zinc/86/29/70/844862970.db2.gz QNJXAZHXRHYJQV-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001190676076 845462457 /nfs/dbraw/zinc/46/24/57/845462457.db2.gz HFPOARKXUIYQDB-HUUCEWRRSA-N 1 2 288.347 0.111 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001190676076 845462462 /nfs/dbraw/zinc/46/24/62/845462462.db2.gz HFPOARKXUIYQDB-HUUCEWRRSA-N 1 2 288.347 0.111 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110432330 845529352 /nfs/dbraw/zinc/52/93/52/845529352.db2.gz WBDJJBLANBSEBZ-GEMYPJNZSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110432330 845529362 /nfs/dbraw/zinc/52/93/62/845529362.db2.gz WBDJJBLANBSEBZ-GEMYPJNZSA-N 1 2 289.379 0.424 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001191622505 845699544 /nfs/dbraw/zinc/69/95/44/845699544.db2.gz PDIAQOAQVKLXTP-VXGBXAGGSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001191622505 845699551 /nfs/dbraw/zinc/69/95/51/845699551.db2.gz PDIAQOAQVKLXTP-VXGBXAGGSA-N 1 2 297.399 0.029 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001192722057 845903425 /nfs/dbraw/zinc/90/34/25/845903425.db2.gz HIXJVQWQNFYNOM-HUUCEWRRSA-N 1 2 287.363 0.402 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001192722057 845903430 /nfs/dbraw/zinc/90/34/30/845903430.db2.gz HIXJVQWQNFYNOM-HUUCEWRRSA-N 1 2 287.363 0.402 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCCCCC)C1 ZINC001192907650 845927178 /nfs/dbraw/zinc/92/71/78/845927178.db2.gz OFNHKPGNYQVJBQ-RBSFLKMASA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCCCCC)C1 ZINC001192907650 845927182 /nfs/dbraw/zinc/92/71/82/845927182.db2.gz OFNHKPGNYQVJBQ-RBSFLKMASA-N 1 2 296.411 0.766 20 30 CCEDLO N#CCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001192963988 845955686 /nfs/dbraw/zinc/95/56/86/845955686.db2.gz YRNGDEFQFWWVDJ-LLVKDONJSA-N 1 2 267.310 0.388 20 30 CCEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)[C@H](C)C#N)n2c1 ZINC001193160494 846010498 /nfs/dbraw/zinc/01/04/98/846010498.db2.gz DKYJNAZBNIYAJN-SNVBAGLBSA-N 1 2 278.337 0.974 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@](C)(O)C=C)O2 ZINC001273656061 846038407 /nfs/dbraw/zinc/03/84/07/846038407.db2.gz UGCNJMAMFNJPPR-UKRRQHHQSA-N 1 2 294.395 0.849 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC001193967950 846190080 /nfs/dbraw/zinc/19/00/80/846190080.db2.gz UWARRRSBOUNSGI-UHFFFAOYSA-N 1 2 276.340 0.331 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)OC)CO2 ZINC001273685734 846395744 /nfs/dbraw/zinc/39/57/44/846395744.db2.gz LUSBIRXZTSPIRZ-VXGBXAGGSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001196789667 846801277 /nfs/dbraw/zinc/80/12/77/846801277.db2.gz DCJQWROYDWXCSQ-CQSZACIVSA-N 1 2 299.390 0.817 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001196789667 846801282 /nfs/dbraw/zinc/80/12/82/846801282.db2.gz DCJQWROYDWXCSQ-CQSZACIVSA-N 1 2 299.390 0.817 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001198345018 847093143 /nfs/dbraw/zinc/09/31/43/847093143.db2.gz YXZYHOQVECLRHZ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001198345018 847093152 /nfs/dbraw/zinc/09/31/52/847093152.db2.gz YXZYHOQVECLRHZ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001251851249 847203187 /nfs/dbraw/zinc/20/31/87/847203187.db2.gz HJOVFHNVAUIAJD-CYBMUJFWSA-N 1 2 279.311 0.899 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn(-c3ncccn3)cn2)CC1 ZINC001199552094 847354108 /nfs/dbraw/zinc/35/41/08/847354108.db2.gz AIDOUUXQSOYUCC-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+]([C@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907525 847815095 /nfs/dbraw/zinc/81/50/95/847815095.db2.gz NCQAXHAIOLOJGQ-DOMZBBRYSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+]([C@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907525 847815100 /nfs/dbraw/zinc/81/51/00/847815100.db2.gz NCQAXHAIOLOJGQ-DOMZBBRYSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931798 847862260 /nfs/dbraw/zinc/86/22/60/847862260.db2.gz UTVYUZAHDPTAKK-LLVKDONJSA-N 1 2 266.341 0.564 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095373562 848272614 /nfs/dbraw/zinc/27/26/14/848272614.db2.gz CLANWQSJSYEHHR-RCWTZXSCSA-N 1 2 299.758 0.569 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095373562 848272620 /nfs/dbraw/zinc/27/26/20/848272620.db2.gz CLANWQSJSYEHHR-RCWTZXSCSA-N 1 2 299.758 0.569 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(C)nc1Br ZINC000717530875 848275846 /nfs/dbraw/zinc/27/58/46/848275846.db2.gz GZRVIONLWSHOGD-MRVPVSSYSA-N 1 2 260.135 0.819 20 30 CCEDLO CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2)C(N)=O ZINC001274031529 848311765 /nfs/dbraw/zinc/31/17/65/848311765.db2.gz UADZCZZCIVMVGN-RYUDHWBXSA-N 1 2 292.383 0.382 20 30 CCEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130157 848357478 /nfs/dbraw/zinc/35/74/78/848357478.db2.gz OJQXBQGWKDQHLD-OAHLLOKOSA-N 1 2 289.383 0.958 20 30 CCEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130157 848357486 /nfs/dbraw/zinc/35/74/86/848357486.db2.gz OJQXBQGWKDQHLD-OAHLLOKOSA-N 1 2 289.383 0.958 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275031852 848616755 /nfs/dbraw/zinc/61/67/55/848616755.db2.gz CCGDPERQEBPTGZ-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275031852 848616760 /nfs/dbraw/zinc/61/67/60/848616760.db2.gz CCGDPERQEBPTGZ-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275031852 848616766 /nfs/dbraw/zinc/61/67/66/848616766.db2.gz CCGDPERQEBPTGZ-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275031852 848616770 /nfs/dbraw/zinc/61/67/70/848616770.db2.gz CCGDPERQEBPTGZ-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1CNCC#N ZINC001275806685 848830234 /nfs/dbraw/zinc/83/02/34/848830234.db2.gz PCRIANUQMVZXKO-TZMCWYRMSA-N 1 2 289.383 0.751 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001275827200 848837083 /nfs/dbraw/zinc/83/70/83/848837083.db2.gz GLSNLXVBGZGEBE-GFCCVEGCSA-N 1 2 289.383 0.648 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001275827200 848837088 /nfs/dbraw/zinc/83/70/88/848837088.db2.gz GLSNLXVBGZGEBE-GFCCVEGCSA-N 1 2 289.383 0.648 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](CCC)OC)C1 ZINC001276069433 848915060 /nfs/dbraw/zinc/91/50/60/848915060.db2.gz NREFXKUZJFLJNI-ZDUSSCGKSA-N 1 2 284.400 0.931 20 30 CCEDLO C[N@@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])C[C@H]1CO ZINC000687588637 849110474 /nfs/dbraw/zinc/11/04/74/849110474.db2.gz JJPRALQRHWLUPO-QMMMGPOBSA-N 1 2 282.325 0.641 20 30 CCEDLO C[N@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])C[C@H]1CO ZINC000687588637 849110480 /nfs/dbraw/zinc/11/04/80/849110480.db2.gz JJPRALQRHWLUPO-QMMMGPOBSA-N 1 2 282.325 0.641 20 30 CCEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1CO ZINC000687596618 849120279 /nfs/dbraw/zinc/12/02/79/849120279.db2.gz CMDGILHBZGQBJI-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1CO ZINC000687596618 849120285 /nfs/dbraw/zinc/12/02/85/849120285.db2.gz CMDGILHBZGQBJI-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO N#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000957303939 849371781 /nfs/dbraw/zinc/37/17/81/849371781.db2.gz FJQIQAVHLAAFRB-UHFFFAOYSA-N 1 2 296.334 0.549 20 30 CCEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CS(C)(=O)=O)C1 ZINC001276352288 849444739 /nfs/dbraw/zinc/44/47/39/849444739.db2.gz YATRCYALGNOIFE-SNVBAGLBSA-N 1 2 274.386 0.044 20 30 CCEDLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NCC#N ZINC001037937455 849609640 /nfs/dbraw/zinc/60/96/40/849609640.db2.gz ZXBIRLBCHGRRHG-AAEUAGOBSA-N 1 2 275.356 0.692 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001038629922 849729412 /nfs/dbraw/zinc/72/94/12/849729412.db2.gz KVYCFESDUHJYCW-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001038629922 849729415 /nfs/dbraw/zinc/72/94/15/849729415.db2.gz KVYCFESDUHJYCW-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001038636053 849760097 /nfs/dbraw/zinc/76/00/97/849760097.db2.gz IFHCBFBDBOVOEG-NSHDSACASA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001038636053 849760103 /nfs/dbraw/zinc/76/01/03/849760103.db2.gz IFHCBFBDBOVOEG-NSHDSACASA-N 1 2 298.350 0.191 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253677344 849787171 /nfs/dbraw/zinc/78/71/71/849787171.db2.gz NCRFMMLUIGCEKG-QWRGUYRKSA-N 1 2 299.392 0.963 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253677344 849787176 /nfs/dbraw/zinc/78/71/76/849787176.db2.gz NCRFMMLUIGCEKG-QWRGUYRKSA-N 1 2 299.392 0.963 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337662 849857549 /nfs/dbraw/zinc/85/75/49/849857549.db2.gz YLVYWWPWESNCIP-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337662 849857559 /nfs/dbraw/zinc/85/75/59/849857559.db2.gz YLVYWWPWESNCIP-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038340557 849858212 /nfs/dbraw/zinc/85/82/12/849858212.db2.gz HTXTYKOJSQPCEL-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038340557 849858219 /nfs/dbraw/zinc/85/82/19/849858219.db2.gz HTXTYKOJSQPCEL-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038476767 849917026 /nfs/dbraw/zinc/91/70/26/849917026.db2.gz QWTKGNHUXLVXIE-HIFRSBDPSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038476767 849917032 /nfs/dbraw/zinc/91/70/32/849917032.db2.gz QWTKGNHUXLVXIE-HIFRSBDPSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038511439 849926850 /nfs/dbraw/zinc/92/68/50/849926850.db2.gz NNSSYXHPRLNHON-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038511439 849926856 /nfs/dbraw/zinc/92/68/56/849926856.db2.gz NNSSYXHPRLNHON-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001038559222 849942629 /nfs/dbraw/zinc/94/26/29/849942629.db2.gz WPTMKJUCLXLQMY-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001038559222 849942640 /nfs/dbraw/zinc/94/26/40/849942640.db2.gz WPTMKJUCLXLQMY-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038587885 849952934 /nfs/dbraw/zinc/95/29/34/849952934.db2.gz YGUYXXQVBPTKLK-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038587885 849952938 /nfs/dbraw/zinc/95/29/38/849952938.db2.gz YGUYXXQVBPTKLK-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038694825 849984257 /nfs/dbraw/zinc/98/42/57/849984257.db2.gz WEDGLXMZDNNEJW-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038694825 849984268 /nfs/dbraw/zinc/98/42/68/849984268.db2.gz WEDGLXMZDNNEJW-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001038721342 849997207 /nfs/dbraw/zinc/99/72/07/849997207.db2.gz QNAAYDZKVQDRHC-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001038721342 849997211 /nfs/dbraw/zinc/99/72/11/849997211.db2.gz QNAAYDZKVQDRHC-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001038776069 850012461 /nfs/dbraw/zinc/01/24/61/850012461.db2.gz OYPVICQSUAIPJX-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001038776069 850012466 /nfs/dbraw/zinc/01/24/66/850012466.db2.gz OYPVICQSUAIPJX-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001038907360 850078517 /nfs/dbraw/zinc/07/85/17/850078517.db2.gz YXBNHOWZISKELG-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001038907360 850078526 /nfs/dbraw/zinc/07/85/26/850078526.db2.gz YXBNHOWZISKELG-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001038976404 850108550 /nfs/dbraw/zinc/10/85/50/850108550.db2.gz PSRSJAPJJNPBFC-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001038976404 850108556 /nfs/dbraw/zinc/10/85/56/850108556.db2.gz PSRSJAPJJNPBFC-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001039011598 850119271 /nfs/dbraw/zinc/11/92/71/850119271.db2.gz GOMUUPQTMMBAKC-ZDUSSCGKSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001039011598 850119279 /nfs/dbraw/zinc/11/92/79/850119279.db2.gz GOMUUPQTMMBAKC-ZDUSSCGKSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001039019350 850123517 /nfs/dbraw/zinc/12/35/17/850123517.db2.gz RDOXBPNETMRKGE-LBPRGKRZSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001039019350 850123525 /nfs/dbraw/zinc/12/35/25/850123525.db2.gz RDOXBPNETMRKGE-LBPRGKRZSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039039113 850134336 /nfs/dbraw/zinc/13/43/36/850134336.db2.gz LYBGSVBWRIYHLV-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039039113 850134341 /nfs/dbraw/zinc/13/43/41/850134341.db2.gz LYBGSVBWRIYHLV-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001039069875 850145159 /nfs/dbraw/zinc/14/51/59/850145159.db2.gz IQMYBZTVRHELME-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001039069875 850145170 /nfs/dbraw/zinc/14/51/70/850145170.db2.gz IQMYBZTVRHELME-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079681 850147910 /nfs/dbraw/zinc/14/79/10/850147910.db2.gz HDWJZMMMWYOWQA-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079681 850147914 /nfs/dbraw/zinc/14/79/14/850147914.db2.gz HDWJZMMMWYOWQA-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCn2cccn2)C1 ZINC001042589442 850704962 /nfs/dbraw/zinc/70/49/62/850704962.db2.gz FYVFOKWCAUSMDF-UHFFFAOYSA-N 1 2 298.350 0.539 20 30 CCEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042589607 850705000 /nfs/dbraw/zinc/70/50/00/850705000.db2.gz JQVSUJAISLOYKX-UHFFFAOYSA-N 1 2 298.350 0.576 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001042614818 850714184 /nfs/dbraw/zinc/71/41/84/850714184.db2.gz CGYBDIAAUUGJMC-NSHDSACASA-N 1 2 266.341 0.658 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccnn2C)C1 ZINC001042739141 850749903 /nfs/dbraw/zinc/74/99/03/850749903.db2.gz AIDNWZABQGNJRK-NSHDSACASA-N 1 2 262.357 0.852 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042931146 850782691 /nfs/dbraw/zinc/78/26/91/850782691.db2.gz UVFJVZRXXVARMB-LBPRGKRZSA-N 1 2 277.368 0.811 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2CCOC)C1 ZINC001043023351 850798464 /nfs/dbraw/zinc/79/84/64/850798464.db2.gz MNQPAVSSHHYAOZ-UHFFFAOYSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3c(n2)COCC3)C1 ZINC001043085272 850811156 /nfs/dbraw/zinc/81/11/56/850811156.db2.gz APJYHTKQQAPFBB-UHFFFAOYSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001043183505 850828447 /nfs/dbraw/zinc/82/84/47/850828447.db2.gz OTOGAFVRYIFGMP-UHFFFAOYSA-N 1 2 278.331 0.632 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001043290483 850848527 /nfs/dbraw/zinc/84/85/27/850848527.db2.gz XILINLULVLRESB-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001043391029 850866758 /nfs/dbraw/zinc/86/67/58/850866758.db2.gz AKCCJDRYJRNRTI-DGCLKSJQSA-N 1 2 250.342 0.577 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001043519453 850891539 /nfs/dbraw/zinc/89/15/39/850891539.db2.gz ZLXWHFOWTYRGGG-NWDGAFQWSA-N 1 2 265.357 0.217 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001043559954 850899047 /nfs/dbraw/zinc/89/90/47/850899047.db2.gz NDSCUGBHGCJURN-LBPRGKRZSA-N 1 2 265.357 0.326 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001043652701 850917473 /nfs/dbraw/zinc/91/74/73/850917473.db2.gz DVSGIWMVFUOBOU-UHFFFAOYSA-N 1 2 299.334 0.443 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001043656149 850918861 /nfs/dbraw/zinc/91/88/61/850918861.db2.gz WFTBENWQBOBITE-LLVKDONJSA-N 1 2 289.383 0.249 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)c1 ZINC001043822057 850941307 /nfs/dbraw/zinc/94/13/07/850941307.db2.gz RFIYCTGGPLJOPS-NSHDSACASA-N 1 2 273.336 0.200 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044029653 850987128 /nfs/dbraw/zinc/98/71/28/850987128.db2.gz UCUWMHGFRUXMOW-KBPBESRZSA-N 1 2 282.384 0.493 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001044160339 851027780 /nfs/dbraw/zinc/02/77/80/851027780.db2.gz VGSWTEPJTISJBK-GFCCVEGCSA-N 1 2 277.368 0.021 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001044208217 851040583 /nfs/dbraw/zinc/04/05/83/851040583.db2.gz HADHYLCSEFLLSN-ZDUSSCGKSA-N 1 2 265.357 0.326 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CC3)CC2)C1 ZINC001045990036 851338607 /nfs/dbraw/zinc/33/86/07/851338607.db2.gz FUWDKWITYXLAMG-ZDUSSCGKSA-N 1 2 262.357 0.138 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC001045996063 851343461 /nfs/dbraw/zinc/34/34/61/851343461.db2.gz BENHRVOZZUHBES-CQSZACIVSA-N 1 2 299.378 0.437 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001046013274 851351507 /nfs/dbraw/zinc/35/15/07/851351507.db2.gz VYNYYRXRBPFHSF-ABCZVMIZSA-N 1 2 288.395 0.695 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN(CC#N)C1 ZINC001046433516 851502331 /nfs/dbraw/zinc/50/23/31/851502331.db2.gz GTHYOINEKOKBMP-WFASDCNBSA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccco2)C1 ZINC001047282998 851696091 /nfs/dbraw/zinc/69/60/91/851696091.db2.gz JTJVOWMCDOQGEP-RYUDHWBXSA-N 1 2 262.309 0.420 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccco2)C1 ZINC001047282998 851696098 /nfs/dbraw/zinc/69/60/98/851696098.db2.gz JTJVOWMCDOQGEP-RYUDHWBXSA-N 1 2 262.309 0.420 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001047300219 851702725 /nfs/dbraw/zinc/70/27/25/851702725.db2.gz PPIUPMQQMXVMKJ-UWVGGRQHSA-N 1 2 282.369 0.150 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001047300219 851702728 /nfs/dbraw/zinc/70/27/28/851702728.db2.gz PPIUPMQQMXVMKJ-UWVGGRQHSA-N 1 2 282.369 0.150 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001047529949 851803211 /nfs/dbraw/zinc/80/32/11/851803211.db2.gz WPEOQINWRPRZMV-IUCAKERBSA-N 1 2 299.277 0.363 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001047529949 851803221 /nfs/dbraw/zinc/80/32/21/851803221.db2.gz WPEOQINWRPRZMV-IUCAKERBSA-N 1 2 299.277 0.363 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001097552236 852545302 /nfs/dbraw/zinc/54/53/02/852545302.db2.gz IPNWPFVTNLZVQI-MCIONIFRSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001097552236 852545310 /nfs/dbraw/zinc/54/53/10/852545310.db2.gz IPNWPFVTNLZVQI-MCIONIFRSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)C(=O)OC ZINC001254418837 852553566 /nfs/dbraw/zinc/55/35/66/852553566.db2.gz VMIRKXUDEVLTEL-LBPRGKRZSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097797702 852617928 /nfs/dbraw/zinc/61/79/28/852617928.db2.gz RBHVFAYYYDULNX-JLLWLGSASA-N 1 2 276.315 0.907 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097797702 852617934 /nfs/dbraw/zinc/61/79/34/852617934.db2.gz RBHVFAYYYDULNX-JLLWLGSASA-N 1 2 276.315 0.907 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 ZINC001053227041 852713401 /nfs/dbraw/zinc/71/34/01/852713401.db2.gz KDPAXMPYBTZUIF-UHFFFAOYSA-N 1 2 288.351 0.823 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053437449 852744588 /nfs/dbraw/zinc/74/45/88/852744588.db2.gz VUXSJKQRFOFJIN-KGLIPLIRSA-N 1 2 294.395 0.899 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnn1)O2 ZINC001053679602 852776535 /nfs/dbraw/zinc/77/65/35/852776535.db2.gz IPWIYRUQLSQPJN-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncoc1C)CO2 ZINC001053753572 852804424 /nfs/dbraw/zinc/80/44/24/852804424.db2.gz UGUUOUQRPXOQOL-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1=CCOCC1)CO2 ZINC001053785924 852821450 /nfs/dbraw/zinc/82/14/50/852821450.db2.gz VNZREGJHQZBYEP-CQSZACIVSA-N 1 2 292.379 0.869 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C)n1)CO2 ZINC001053786454 852821475 /nfs/dbraw/zinc/82/14/75/852821475.db2.gz HQCVCEBVSKTBJB-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1OCC[C@H]1C)CO2 ZINC001053928607 852849428 /nfs/dbraw/zinc/84/94/28/852849428.db2.gz GDENOGCSGMHRLJ-RDBSUJKOSA-N 1 2 292.379 0.394 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnnc1)CO2 ZINC001053936772 852851451 /nfs/dbraw/zinc/85/14/51/852851451.db2.gz SMEJPFIFIPPZHV-ZDUSSCGKSA-N 1 2 288.351 0.626 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncn1)CO2 ZINC001053958027 852854192 /nfs/dbraw/zinc/85/41/92/852854192.db2.gz MYEKBKHDASXDIZ-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnn1)CO2 ZINC001053964821 852858629 /nfs/dbraw/zinc/85/86/29/852858629.db2.gz OJNZSDFZQHTYSJ-LBPRGKRZSA-N 1 2 286.335 0.073 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001097922116 852862140 /nfs/dbraw/zinc/86/21/40/852862140.db2.gz QSKGXRKPGLAZDQ-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001097922059 852862742 /nfs/dbraw/zinc/86/27/42/852862742.db2.gz PFECQOSRDPOZJF-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncn(C)n3)cc2C1 ZINC001054263287 852898624 /nfs/dbraw/zinc/89/86/24/852898624.db2.gz KNHIWXNFLFATQP-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncn(C)n3)cc2C1 ZINC001054263287 852898629 /nfs/dbraw/zinc/89/86/29/852898629.db2.gz KNHIWXNFLFATQP-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnnn3C)cc2C1 ZINC001054262993 852898913 /nfs/dbraw/zinc/89/89/13/852898913.db2.gz ACMRQWXPDTWZNA-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnnn3C)cc2C1 ZINC001054262993 852898917 /nfs/dbraw/zinc/89/89/17/852898917.db2.gz ACMRQWXPDTWZNA-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cnc(C#N)cn1 ZINC001097955358 852997247 /nfs/dbraw/zinc/99/72/47/852997247.db2.gz KFJVPAXUGFHQNZ-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnsn1 ZINC001050833293 853452017 /nfs/dbraw/zinc/45/20/17/853452017.db2.gz QXIMGGCNXYWPSO-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnsn1 ZINC001050833293 853452021 /nfs/dbraw/zinc/45/20/21/853452021.db2.gz QXIMGGCNXYWPSO-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001050830999 853452471 /nfs/dbraw/zinc/45/24/71/853452471.db2.gz RCLDKRCUUSHXRG-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001050830999 853452474 /nfs/dbraw/zinc/45/24/74/853452474.db2.gz RCLDKRCUUSHXRG-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001050830997 853452699 /nfs/dbraw/zinc/45/26/99/853452699.db2.gz RCLDKRCUUSHXRG-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001050830997 853452703 /nfs/dbraw/zinc/45/27/03/853452703.db2.gz RCLDKRCUUSHXRG-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001050851434 853462844 /nfs/dbraw/zinc/46/28/44/853462844.db2.gz GCNYVDZEIAMQFV-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001050851434 853462846 /nfs/dbraw/zinc/46/28/46/853462846.db2.gz GCNYVDZEIAMQFV-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001051956785 853662689 /nfs/dbraw/zinc/66/26/89/853662689.db2.gz UEXUNKUOWQFFRL-CYBMUJFWSA-N 1 2 271.792 0.977 20 30 CCEDLO CC[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052063548 853680215 /nfs/dbraw/zinc/68/02/15/853680215.db2.gz VTOXZYOMNUTSNX-OLZOCXBDSA-N 1 2 282.363 0.477 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001058422720 853843668 /nfs/dbraw/zinc/84/36/68/853843668.db2.gz LWHOKSHRKUYNAK-LLVKDONJSA-N 1 2 297.322 0.009 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000393863803 854135878 /nfs/dbraw/zinc/13/58/78/854135878.db2.gz QDYXSEPRWMXBTO-UHFFFAOYSA-N 1 2 256.737 0.774 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001071340156 854162000 /nfs/dbraw/zinc/16/20/00/854162000.db2.gz KQJCJYJKHWLXME-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001071340156 854162004 /nfs/dbraw/zinc/16/20/04/854162004.db2.gz KQJCJYJKHWLXME-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001071784548 854288667 /nfs/dbraw/zinc/28/86/67/854288667.db2.gz GCOPTHYXECMGKZ-DGCLKSJQSA-N 1 2 290.367 0.882 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1CC#N ZINC001071847087 854307146 /nfs/dbraw/zinc/30/71/46/854307146.db2.gz HUWYRBWFHYNCDP-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073662756 854627370 /nfs/dbraw/zinc/62/73/70/854627370.db2.gz PPALHKZQMFCDEY-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073662756 854627373 /nfs/dbraw/zinc/62/73/73/854627373.db2.gz PPALHKZQMFCDEY-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174699 854686868 /nfs/dbraw/zinc/68/68/68/854686868.db2.gz QAANCWQFKHNDJD-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174699 854686870 /nfs/dbraw/zinc/68/68/70/854686870.db2.gz QAANCWQFKHNDJD-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001074205297 854695825 /nfs/dbraw/zinc/69/58/25/854695825.db2.gz PPPFOTFDWNJDLZ-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001074205297 854695827 /nfs/dbraw/zinc/69/58/27/854695827.db2.gz PPPFOTFDWNJDLZ-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001099713061 854974990 /nfs/dbraw/zinc/97/49/90/854974990.db2.gz KGBWBWBVXBWUMN-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 ZINC001099743337 854982507 /nfs/dbraw/zinc/98/25/07/854982507.db2.gz HZACVGQALYQOFD-VXGBXAGGSA-N 1 2 280.368 0.176 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 ZINC001099743337 854982517 /nfs/dbraw/zinc/98/25/17/854982517.db2.gz HZACVGQALYQOFD-VXGBXAGGSA-N 1 2 280.368 0.176 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC001101822562 855373069 /nfs/dbraw/zinc/37/30/69/855373069.db2.gz TVKFOBNRMKHHGJ-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001101822562 855373075 /nfs/dbraw/zinc/37/30/75/855373075.db2.gz TVKFOBNRMKHHGJ-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO CN(CCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975699 855402862 /nfs/dbraw/zinc/40/28/62/855402862.db2.gz NVFLTQBNMSCGMN-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115324755 855661619 /nfs/dbraw/zinc/66/16/19/855661619.db2.gz WWXBVACQAOJGKP-NHAGDIPZSA-N 1 2 291.351 0.814 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115324755 855661620 /nfs/dbraw/zinc/66/16/20/855661620.db2.gz WWXBVACQAOJGKP-NHAGDIPZSA-N 1 2 291.351 0.814 20 30 CCEDLO C=CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001115900366 855703444 /nfs/dbraw/zinc/70/34/44/855703444.db2.gz YNJBPQIMOXTHTE-NSHDSACASA-N 1 2 274.386 0.186 20 30 CCEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001115900366 855703445 /nfs/dbraw/zinc/70/34/45/855703445.db2.gz YNJBPQIMOXTHTE-NSHDSACASA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC001116539535 855783924 /nfs/dbraw/zinc/78/39/24/855783924.db2.gz XZFHRUCUDZWHKN-SMDDNHRTSA-N 1 2 297.355 0.178 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC001116539535 855783926 /nfs/dbraw/zinc/78/39/26/855783926.db2.gz XZFHRUCUDZWHKN-SMDDNHRTSA-N 1 2 297.355 0.178 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC001118401296 856290357 /nfs/dbraw/zinc/29/03/57/856290357.db2.gz SQWSXZPARWMBDD-OLZOCXBDSA-N 1 2 288.351 0.260 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC001118794535 856446503 /nfs/dbraw/zinc/44/65/03/856446503.db2.gz ZHFJCMINJCWHJN-GFCCVEGCSA-N 1 2 267.292 0.953 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001120021992 856964145 /nfs/dbraw/zinc/96/41/45/856964145.db2.gz VWXNNLASISEQMJ-UHFFFAOYSA-N 1 2 296.330 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001323263070 912233486 /nfs/dbraw/zinc/23/34/86/912233486.db2.gz QYOGFTTZDCFJCP-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001323263070 912233503 /nfs/dbraw/zinc/23/35/03/912233503.db2.gz QYOGFTTZDCFJCP-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1occc1C ZINC001323300664 912257372 /nfs/dbraw/zinc/25/73/72/912257372.db2.gz AYINYRCGPLEPFH-AWEZNQCLSA-N 1 2 290.363 0.971 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1occc1C ZINC001323300664 912257387 /nfs/dbraw/zinc/25/73/87/912257387.db2.gz AYINYRCGPLEPFH-AWEZNQCLSA-N 1 2 290.363 0.971 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(C)on1 ZINC001323353493 912291706 /nfs/dbraw/zinc/29/17/06/912291706.db2.gz SNJCJWQFCDLNDP-SNVBAGLBSA-N 1 2 278.312 0.298 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(C)on1 ZINC001323353493 912291714 /nfs/dbraw/zinc/29/17/14/912291714.db2.gz SNJCJWQFCDLNDP-SNVBAGLBSA-N 1 2 278.312 0.298 20 30 CCEDLO CC(C)OCC[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001323920375 912584827 /nfs/dbraw/zinc/58/48/27/912584827.db2.gz COHONTJSEBUKJP-UHFFFAOYSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001323946024 912594278 /nfs/dbraw/zinc/59/42/78/912594278.db2.gz ITEHSYBBNDRBCU-UHFFFAOYSA-N 1 2 291.351 0.632 20 30 CCEDLO C[NH+]1CCN(c2ccc(C=[NH+]NCC(=O)[O-])cc2F)CC1 ZINC001324207906 912721681 /nfs/dbraw/zinc/72/16/81/912721681.db2.gz SRFJFXQQALDNEU-UHFFFAOYSA-N 1 2 294.330 0.586 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H](C)OC)C1 ZINC001325190360 913267128 /nfs/dbraw/zinc/26/71/28/913267128.db2.gz QPMBDGTTXAYDRQ-NSHDSACASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COCCCC)C1 ZINC001325197888 913271228 /nfs/dbraw/zinc/27/12/28/913271228.db2.gz BPMBYRCWZPDTQR-UHFFFAOYSA-N 1 2 270.373 0.542 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001325273077 913312767 /nfs/dbraw/zinc/31/27/67/913312767.db2.gz IQMCTVIQYZHBMW-UHFFFAOYSA-N 1 2 262.353 0.363 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(C#N)CC1 ZINC001325676905 913519519 /nfs/dbraw/zinc/51/95/19/913519519.db2.gz IEDBEYANJIHSMK-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001395131256 913558502 /nfs/dbraw/zinc/55/85/02/913558502.db2.gz FUBFKSLTJASDIT-UWVGGRQHSA-N 1 2 291.355 0.383 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001480884137 891552516 /nfs/dbraw/zinc/55/25/16/891552516.db2.gz NTVLRYADBAYARH-MGPQQGTHSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001480884137 891552532 /nfs/dbraw/zinc/55/25/32/891552532.db2.gz NTVLRYADBAYARH-MGPQQGTHSA-N 1 2 291.395 0.220 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)CC(=O)NCC#N ZINC001480885682 891568663 /nfs/dbraw/zinc/56/86/63/891568663.db2.gz YIPIOGHKRAEVIF-YNEHKIRRSA-N 1 2 292.383 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)CC(=O)NCC#N ZINC001480885682 891568665 /nfs/dbraw/zinc/56/86/65/891568665.db2.gz YIPIOGHKRAEVIF-YNEHKIRRSA-N 1 2 292.383 0.110 20 30 CCEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001480903619 891727998 /nfs/dbraw/zinc/72/79/98/891727998.db2.gz UPMGSTRURJNYQX-UHFFFAOYSA-N 1 2 267.373 0.364 20 30 CCEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)NCC ZINC001480903619 891728004 /nfs/dbraw/zinc/72/80/04/891728004.db2.gz UPMGSTRURJNYQX-UHFFFAOYSA-N 1 2 267.373 0.364 20 30 CCEDLO C[C@@H](CNC(=O)NCCCC#N)[NH+]1CCN(C)CC1 ZINC001349652513 891763264 /nfs/dbraw/zinc/76/32/64/891763264.db2.gz KKBROWJYQVJYTP-LBPRGKRZSA-N 1 2 267.377 0.225 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCC#N ZINC001349826394 891785445 /nfs/dbraw/zinc/78/54/45/891785445.db2.gz PYXQTMRKDKEEIB-LLVKDONJSA-N 1 2 278.312 0.625 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(=O)NCC1CC1 ZINC001481008918 892050615 /nfs/dbraw/zinc/05/06/15/892050615.db2.gz YWXINHWFPXNKFC-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(=O)NCC1CC1 ZINC001481008918 892050635 /nfs/dbraw/zinc/05/06/35/892050635.db2.gz YWXINHWFPXNKFC-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481524095 892771867 /nfs/dbraw/zinc/77/18/67/892771867.db2.gz OMQHKWSPLDVUFN-SECBINFHSA-N 1 2 259.737 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481524095 892771875 /nfs/dbraw/zinc/77/18/75/892771875.db2.gz OMQHKWSPLDVUFN-SECBINFHSA-N 1 2 259.737 0.195 20 30 CCEDLO C=CCC1(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CCC1 ZINC001481644020 892956600 /nfs/dbraw/zinc/95/66/00/892956600.db2.gz VIVCZAZGLFIRMQ-NSHDSACASA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001481668122 892986895 /nfs/dbraw/zinc/98/68/95/892986895.db2.gz PXJJPYZYFWBSIH-SDDRHHMPSA-N 1 2 291.351 0.043 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001481668122 892986899 /nfs/dbraw/zinc/98/68/99/892986899.db2.gz PXJJPYZYFWBSIH-SDDRHHMPSA-N 1 2 291.351 0.043 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)C1 ZINC001481694811 893031273 /nfs/dbraw/zinc/03/12/73/893031273.db2.gz PGNTXLYAMDTDDI-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)C1 ZINC001481694811 893031289 /nfs/dbraw/zinc/03/12/89/893031289.db2.gz PGNTXLYAMDTDDI-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001481703364 893046640 /nfs/dbraw/zinc/04/66/40/893046640.db2.gz GOYWRPSKSPCYFR-TZMCWYRMSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001481703364 893046659 /nfs/dbraw/zinc/04/66/59/893046659.db2.gz GOYWRPSKSPCYFR-TZMCWYRMSA-N 1 2 293.411 0.915 20 30 CCEDLO C#CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001481987782 893297147 /nfs/dbraw/zinc/29/71/47/893297147.db2.gz KXXDFQAAECLPML-GFCCVEGCSA-N 1 2 275.356 0.199 20 30 CCEDLO COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191159 893483355 /nfs/dbraw/zinc/48/33/55/893483355.db2.gz AFTJEIGWVALJQU-KGLIPLIRSA-N 1 2 296.411 0.888 20 30 CCEDLO COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191159 893483360 /nfs/dbraw/zinc/48/33/60/893483360.db2.gz AFTJEIGWVALJQU-KGLIPLIRSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001284527828 893605621 /nfs/dbraw/zinc/60/56/21/893605621.db2.gz QFEGDRRADCFVQW-ZIAGYGMSSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1C[C@H]1C)C(C)C ZINC001284527826 893605397 /nfs/dbraw/zinc/60/53/97/893605397.db2.gz QFEGDRRADCFVQW-KGLIPLIRSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1C[C@H]1C)C(C)C ZINC001284527826 893605406 /nfs/dbraw/zinc/60/54/06/893605406.db2.gz QFEGDRRADCFVQW-KGLIPLIRSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001284527828 893605628 /nfs/dbraw/zinc/60/56/28/893605628.db2.gz QFEGDRRADCFVQW-ZIAGYGMSSA-N 1 2 293.411 0.561 20 30 CCEDLO C=CCC(CC=C)C(=O)NCC1(O)C[NH+](CC)C1 ZINC001271289868 894111394 /nfs/dbraw/zinc/11/13/94/894111394.db2.gz VWWWSSROFCNPLO-UHFFFAOYSA-N 1 2 252.358 0.938 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OC ZINC001299178718 894113782 /nfs/dbraw/zinc/11/37/82/894113782.db2.gz MUXLNTKFVPTURM-QWRGUYRKSA-N 1 2 275.308 0.127 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NCC#N ZINC001482554625 894233072 /nfs/dbraw/zinc/23/30/72/894233072.db2.gz YUXHYPZGTUSTNL-JHJVBQTASA-N 1 2 289.383 0.778 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001482592395 894340285 /nfs/dbraw/zinc/34/02/85/894340285.db2.gz ZJOHIOCNQYOURD-LLVKDONJSA-N 1 2 285.779 0.982 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001482592395 894340299 /nfs/dbraw/zinc/34/02/99/894340299.db2.gz ZJOHIOCNQYOURD-LLVKDONJSA-N 1 2 285.779 0.982 20 30 CCEDLO N#CCNC[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001482698600 894495370 /nfs/dbraw/zinc/49/53/70/894495370.db2.gz LYYFHQLHLHXCHD-NEPJUHHUSA-N 1 2 261.329 0.281 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001482735353 894536523 /nfs/dbraw/zinc/53/65/23/894536523.db2.gz WUUBENOZJVESSO-CMPLNLGQSA-N 1 2 296.371 0.862 20 30 CCEDLO CCn1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001483319714 895449381 /nfs/dbraw/zinc/44/93/81/895449381.db2.gz MSGCGOJCBOJRFJ-NWDGAFQWSA-N 1 2 277.372 0.999 20 30 CCEDLO CCn1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001483319714 895449386 /nfs/dbraw/zinc/44/93/86/895449386.db2.gz MSGCGOJCBOJRFJ-NWDGAFQWSA-N 1 2 277.372 0.999 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2ncc(C#N)cc2F)CC1 ZINC001365241036 895879077 /nfs/dbraw/zinc/87/90/77/895879077.db2.gz IILOEGOTXWFUTG-UHFFFAOYSA-N 1 2 291.330 0.350 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2ncc(C#N)cc2F)CC1 ZINC001365241036 895879086 /nfs/dbraw/zinc/87/90/86/895879086.db2.gz IILOEGOTXWFUTG-UHFFFAOYSA-N 1 2 291.330 0.350 20 30 CCEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001483747065 895978557 /nfs/dbraw/zinc/97/85/57/895978557.db2.gz ZHRWVNLLPVPNOF-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1 ZINC001483747065 895978565 /nfs/dbraw/zinc/97/85/65/895978565.db2.gz ZHRWVNLLPVPNOF-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO Cc1nc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)co1 ZINC001484208633 896241943 /nfs/dbraw/zinc/24/19/43/896241943.db2.gz OTIVTARSIQOYJF-YGRLFVJLSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)co1 ZINC001484208633 896241960 /nfs/dbraw/zinc/24/19/60/896241960.db2.gz OTIVTARSIQOYJF-YGRLFVJLSA-N 1 2 292.339 0.196 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCOC(C)C)C1 ZINC001484261208 896299533 /nfs/dbraw/zinc/29/95/33/896299533.db2.gz ZFQUXPUDVSYRAC-UHFFFAOYSA-N 1 2 270.373 0.541 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001484294596 896324562 /nfs/dbraw/zinc/32/45/62/896324562.db2.gz VKAZYSKSOGBGPN-UHFFFAOYSA-N 1 2 281.743 0.468 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COc2ccsc2)C1 ZINC001484305716 896335681 /nfs/dbraw/zinc/33/56/81/896335681.db2.gz KXZRQTQJPZESGW-UHFFFAOYSA-N 1 2 296.392 0.866 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)OC)O2 ZINC001484781612 896598325 /nfs/dbraw/zinc/59/83/25/896598325.db2.gz MNGRMKQFUIXJMQ-VXGBXAGGSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)CC(N)=O)O2 ZINC001484784640 896600510 /nfs/dbraw/zinc/60/05/10/896600510.db2.gz ONWLZUIIEPFEKN-NEPJUHHUSA-N 1 2 295.383 0.034 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484802335 896603341 /nfs/dbraw/zinc/60/33/41/896603341.db2.gz WPHKDOSUQDIVOL-OLZOCXBDSA-N 1 2 282.384 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001485411153 897030105 /nfs/dbraw/zinc/03/01/05/897030105.db2.gz OGYHGOUJMGBKBK-UONOGXRCSA-N 1 2 296.411 0.931 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001077750246 897408178 /nfs/dbraw/zinc/40/81/78/897408178.db2.gz BFXNIDBOBPGZHU-KFWWJZLASA-N 1 2 290.338 0.882 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001077750246 897408186 /nfs/dbraw/zinc/40/81/86/897408186.db2.gz BFXNIDBOBPGZHU-KFWWJZLASA-N 1 2 290.338 0.882 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001107881911 897421880 /nfs/dbraw/zinc/42/18/80/897421880.db2.gz NLQBTJBUKQNZIV-GXTWGEPZSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001107881911 897421885 /nfs/dbraw/zinc/42/18/85/897421885.db2.gz NLQBTJBUKQNZIV-GXTWGEPZSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897351 897460583 /nfs/dbraw/zinc/46/05/83/897460583.db2.gz GLCWBICUDNWIDJ-CQSZACIVSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897351 897460592 /nfs/dbraw/zinc/46/05/92/897460592.db2.gz GLCWBICUDNWIDJ-CQSZACIVSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nccn2CC)C1 ZINC001107904897 897476125 /nfs/dbraw/zinc/47/61/25/897476125.db2.gz JWAJRMARQMXNNM-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nccn2CC)C1 ZINC001107904897 897476136 /nfs/dbraw/zinc/47/61/36/897476136.db2.gz JWAJRMARQMXNNM-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907449 897486701 /nfs/dbraw/zinc/48/67/01/897486701.db2.gz STRXZOMBMZCAES-AWEZNQCLSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907449 897486718 /nfs/dbraw/zinc/48/67/18/897486718.db2.gz STRXZOMBMZCAES-AWEZNQCLSA-N 1 2 270.373 0.541 20 30 CCEDLO CC#CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001326791617 914175318 /nfs/dbraw/zinc/17/53/18/914175318.db2.gz ZASCTYRCQQYHPA-NSHDSACASA-N 1 2 261.325 0.181 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001032473485 897616892 /nfs/dbraw/zinc/61/68/92/897616892.db2.gz ADSZCJHMZPUDRO-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001032473485 897616900 /nfs/dbraw/zinc/61/69/00/897616900.db2.gz ADSZCJHMZPUDRO-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCC2 ZINC001032493879 897650201 /nfs/dbraw/zinc/65/02/01/897650201.db2.gz QQWPPASIHBQZNO-QWRGUYRKSA-N 1 2 270.336 0.430 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCC2 ZINC001032493879 897650208 /nfs/dbraw/zinc/65/02/08/897650208.db2.gz QQWPPASIHBQZNO-QWRGUYRKSA-N 1 2 270.336 0.430 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001032506348 897664961 /nfs/dbraw/zinc/66/49/61/897664961.db2.gz DAHLCZYITAIYNE-DZKIICNBSA-N 1 2 282.343 0.908 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001032506348 897664965 /nfs/dbraw/zinc/66/49/65/897664965.db2.gz DAHLCZYITAIYNE-DZKIICNBSA-N 1 2 282.343 0.908 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001032549990 897731469 /nfs/dbraw/zinc/73/14/69/897731469.db2.gz YTYPBSUUYJTQDE-STQMWFEESA-N 1 2 285.347 0.936 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001032549990 897731475 /nfs/dbraw/zinc/73/14/75/897731475.db2.gz YTYPBSUUYJTQDE-STQMWFEESA-N 1 2 285.347 0.936 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)n1C ZINC001032586886 897783377 /nfs/dbraw/zinc/78/33/77/897783377.db2.gz GAFSIGACOZQZAP-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)n1C ZINC001032586886 897783384 /nfs/dbraw/zinc/78/33/84/897783384.db2.gz GAFSIGACOZQZAP-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001032641106 897884975 /nfs/dbraw/zinc/88/49/75/897884975.db2.gz YMKGIRGSTJPEFK-ZOBORPQBSA-N 1 2 262.353 0.862 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001032641106 897884989 /nfs/dbraw/zinc/88/49/89/897884989.db2.gz YMKGIRGSTJPEFK-ZOBORPQBSA-N 1 2 262.353 0.862 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001032682980 897929793 /nfs/dbraw/zinc/92/97/93/897929793.db2.gz QSTIWFDURRHETB-IUCAKERBSA-N 1 2 298.268 0.960 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001032682980 897929799 /nfs/dbraw/zinc/92/97/99/897929799.db2.gz QSTIWFDURRHETB-IUCAKERBSA-N 1 2 298.268 0.960 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C(C)=O ZINC001032741398 898050930 /nfs/dbraw/zinc/05/09/30/898050930.db2.gz KYAXUYSJFKQVQW-KKUMJFAQSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C(C)=O ZINC001032741398 898050939 /nfs/dbraw/zinc/05/09/39/898050939.db2.gz KYAXUYSJFKQVQW-KKUMJFAQSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001077943716 898094240 /nfs/dbraw/zinc/09/42/40/898094240.db2.gz OJFXTDRGESICFG-YNEHKIRRSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001077943716 898094249 /nfs/dbraw/zinc/09/42/49/898094249.db2.gz OJFXTDRGESICFG-YNEHKIRRSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001077953738 898103229 /nfs/dbraw/zinc/10/32/29/898103229.db2.gz KPISOEXBTNOPNP-HUUCEWRRSA-N 1 2 287.363 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001077953738 898103236 /nfs/dbraw/zinc/10/32/36/898103236.db2.gz KPISOEXBTNOPNP-HUUCEWRRSA-N 1 2 287.363 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001078041578 898196433 /nfs/dbraw/zinc/19/64/33/898196433.db2.gz RIVFGSGHDZFGIE-KBUPBQIOSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001078041578 898196443 /nfs/dbraw/zinc/19/64/43/898196443.db2.gz RIVFGSGHDZFGIE-KBUPBQIOSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn2cccnc12 ZINC001032789502 898226570 /nfs/dbraw/zinc/22/65/70/898226570.db2.gz UQXWRCMSXNVVSH-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn2cccnc12 ZINC001032789502 898226584 /nfs/dbraw/zinc/22/65/84/898226584.db2.gz UQXWRCMSXNVVSH-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001078252460 898317212 /nfs/dbraw/zinc/31/72/12/898317212.db2.gz IOTNOCLCNJDMDL-CHWSQXEVSA-N 1 2 276.336 0.811 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001078252460 898317223 /nfs/dbraw/zinc/31/72/23/898317223.db2.gz IOTNOCLCNJDMDL-CHWSQXEVSA-N 1 2 276.336 0.811 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001486000230 898564268 /nfs/dbraw/zinc/56/42/68/898564268.db2.gz NODQRCPZRYBRCM-JQWIXIFHSA-N 1 2 295.387 0.597 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001410910811 899628610 /nfs/dbraw/zinc/62/86/10/899628610.db2.gz YQBOTONQKUAAAT-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001410910811 899628617 /nfs/dbraw/zinc/62/86/17/899628617.db2.gz YQBOTONQKUAAAT-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197000052 900060607 /nfs/dbraw/zinc/06/06/07/900060607.db2.gz IRFZNZVGQQKBEF-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197000052 900060617 /nfs/dbraw/zinc/06/06/17/900060617.db2.gz IRFZNZVGQQKBEF-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001197575176 900062933 /nfs/dbraw/zinc/06/29/33/900062933.db2.gz PMTBUHXHYKHIAS-BFHYXJOUSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001197575176 900062942 /nfs/dbraw/zinc/06/29/42/900062942.db2.gz PMTBUHXHYKHIAS-BFHYXJOUSA-N 1 2 266.385 0.853 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001488761426 900369206 /nfs/dbraw/zinc/36/92/06/900369206.db2.gz SIKJJGMPNCKYTO-TXEJJXNPSA-N 1 2 261.329 0.281 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001488949952 900417319 /nfs/dbraw/zinc/41/73/19/900417319.db2.gz DENIRPWIXPFHAN-NWDGAFQWSA-N 1 2 291.355 0.396 20 30 CCEDLO N#CCN[C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001488941495 900417750 /nfs/dbraw/zinc/41/77/50/900417750.db2.gz VURGOIVQPKGCFI-QWHCGFSZSA-N 1 2 275.356 0.671 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001489287405 900459514 /nfs/dbraw/zinc/45/95/14/900459514.db2.gz SQIAZFRQYZDWBQ-ZJUUUORDSA-N 1 2 285.775 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001489287405 900459519 /nfs/dbraw/zinc/45/95/19/900459519.db2.gz SQIAZFRQYZDWBQ-ZJUUUORDSA-N 1 2 285.775 0.583 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)Cc2ccc(C)o2)CC1 ZINC001490487959 900641326 /nfs/dbraw/zinc/64/13/26/900641326.db2.gz RQGUUVYMNPRNDL-UHFFFAOYSA-N 1 2 289.379 0.498 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001327386543 914512917 /nfs/dbraw/zinc/51/29/17/914512917.db2.gz IEKJDVKAQLNJPD-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001327387621 914515565 /nfs/dbraw/zinc/51/55/65/914515565.db2.gz PCZOGVDNTQGKPC-UONOGXRCSA-N 1 2 294.395 0.520 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001327388909 914516174 /nfs/dbraw/zinc/51/61/74/914516174.db2.gz XUCMATZJWYOWJF-LBPRGKRZSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(COC)CC1)CO2 ZINC001327395693 914519814 /nfs/dbraw/zinc/51/98/14/914519814.db2.gz ASQMJPXFRCBTQW-CYBMUJFWSA-N 1 2 292.379 0.396 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001412114880 901478935 /nfs/dbraw/zinc/47/89/35/901478935.db2.gz MXZCUCNIRYHOSV-UHFFFAOYSA-N 1 2 290.323 0.566 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001412496211 901771855 /nfs/dbraw/zinc/77/18/55/901771855.db2.gz XQPPPIFWDVSRNI-ZDUSSCGKSA-N 1 2 284.319 0.923 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412496211 901771874 /nfs/dbraw/zinc/77/18/74/901771874.db2.gz XQPPPIFWDVSRNI-ZDUSSCGKSA-N 1 2 284.319 0.923 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)OC ZINC001462332202 903099258 /nfs/dbraw/zinc/09/92/58/903099258.db2.gz IFSXEPHNLHFTJW-JQWIXIFHSA-N 1 2 287.381 0.354 20 30 CCEDLO C[C@H](NC(=O)CSCC#N)[C@H](C)[NH2+]Cc1csnn1 ZINC001282099127 904411847 /nfs/dbraw/zinc/41/18/47/904411847.db2.gz ZJJISYYSICXXQJ-IUCAKERBSA-N 1 2 299.425 0.778 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282733921 904530771 /nfs/dbraw/zinc/53/07/71/904530771.db2.gz JXLWMGBIKIVTGG-GXFFZTMASA-N 1 2 298.362 0.057 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001398740026 914820616 /nfs/dbraw/zinc/82/06/16/914820616.db2.gz XYVFCPPVUFOXMF-NSHDSACASA-N 1 2 298.778 0.396 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001398740026 914820632 /nfs/dbraw/zinc/82/06/32/914820632.db2.gz XYVFCPPVUFOXMF-NSHDSACASA-N 1 2 298.778 0.396 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283205485 904755217 /nfs/dbraw/zinc/75/52/17/904755217.db2.gz XPFDXXVSRFHJAU-QWHCGFSZSA-N 1 2 289.383 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001377382670 904819216 /nfs/dbraw/zinc/81/92/16/904819216.db2.gz LDQKGEHTUCPXMX-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001377382670 904819237 /nfs/dbraw/zinc/81/92/37/904819237.db2.gz LDQKGEHTUCPXMX-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001284001670 905113779 /nfs/dbraw/zinc/11/37/79/905113779.db2.gz RBPPJGZEAUDSLW-LBPRGKRZSA-N 1 2 290.367 0.646 20 30 CCEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC001336968548 921134577 /nfs/dbraw/zinc/13/45/77/921134577.db2.gz ARJHCKWDAQSITB-UHFFFAOYSA-N 1 2 271.320 0.380 20 30 CCEDLO CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)C#CC(C)(C)C ZINC001284549266 905369055 /nfs/dbraw/zinc/36/90/55/905369055.db2.gz DNVWCZJJAHKZKZ-UHFFFAOYSA-N 1 2 290.367 0.507 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@](C)(O)CC)n2C)CC1 ZINC001339788664 921827561 /nfs/dbraw/zinc/82/75/61/921827561.db2.gz PBVPJDJVFVVADG-AWEZNQCLSA-N 1 2 277.372 0.188 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001285839650 905781120 /nfs/dbraw/zinc/78/11/20/905781120.db2.gz WZTDNWLOISWPHY-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO Cc1nnc(C[NH2+]C2(CNC(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 ZINC001380068812 906621872 /nfs/dbraw/zinc/62/18/72/906621872.db2.gz FOBMSFHZJGFQIG-UHFFFAOYSA-N 1 2 299.338 0.365 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001295548259 906758657 /nfs/dbraw/zinc/75/86/57/906758657.db2.gz IZKAYIHUEAZQRU-NEPJUHHUSA-N 1 2 294.355 0.095 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1nnccc1C#N ZINC001337769072 921292041 /nfs/dbraw/zinc/29/20/41/921292041.db2.gz OMFXKQYWDPKXAE-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1nnccc1C#N ZINC001337769072 921292045 /nfs/dbraw/zinc/29/20/45/921292045.db2.gz OMFXKQYWDPKXAE-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001298485051 907248089 /nfs/dbraw/zinc/24/80/89/907248089.db2.gz HCHJDYYQABMTHL-JDGPPOGSSA-N 1 2 289.339 0.221 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)nn3C)n2C)CC1 ZINC001338044581 921350544 /nfs/dbraw/zinc/35/05/44/921350544.db2.gz DTMWHAYENFYFGF-UHFFFAOYSA-N 1 2 299.382 0.279 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](COCC)C(=O)OC ZINC001307592952 908326003 /nfs/dbraw/zinc/32/60/03/908326003.db2.gz RWQJUTZVTCOAIC-RYUDHWBXSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](COCC)C(=O)OC ZINC001307592952 908326018 /nfs/dbraw/zinc/32/60/18/908326018.db2.gz RWQJUTZVTCOAIC-RYUDHWBXSA-N 1 2 259.346 0.823 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001328587377 908692268 /nfs/dbraw/zinc/69/22/68/908692268.db2.gz YLBRKUAJVJGTFV-NWDGAFQWSA-N 1 2 263.341 0.748 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1cnns1 ZINC001316825905 908791447 /nfs/dbraw/zinc/79/14/47/908791447.db2.gz WMHSSBQVUYJJDN-NSHDSACASA-N 1 2 296.396 0.515 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1cnns1 ZINC001316825905 908791461 /nfs/dbraw/zinc/79/14/61/908791461.db2.gz WMHSSBQVUYJJDN-NSHDSACASA-N 1 2 296.396 0.515 20 30 CCEDLO CC[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)O1 ZINC001316965239 908875047 /nfs/dbraw/zinc/87/50/47/908875047.db2.gz VNLHVPQJSOXNPR-KGLIPLIRSA-N 1 2 294.399 0.201 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(=O)[nH]3)n2C)CC1 ZINC001338371049 921447755 /nfs/dbraw/zinc/44/77/55/921447755.db2.gz PDYXNYITOBTIFP-UHFFFAOYSA-N 1 2 298.350 0.338 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001316995393 908907523 /nfs/dbraw/zinc/90/75/23/908907523.db2.gz WIYCGEKAFFJPCO-WDEREUQCSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001316995393 908907534 /nfs/dbraw/zinc/90/75/34/908907534.db2.gz WIYCGEKAFFJPCO-WDEREUQCSA-N 1 2 274.386 0.044 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001338424392 921464289 /nfs/dbraw/zinc/46/42/89/921464289.db2.gz UCLBCGPLBMCBSA-DCAQKATOSA-N 1 2 263.345 0.011 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001338424392 921464296 /nfs/dbraw/zinc/46/42/96/921464296.db2.gz UCLBCGPLBMCBSA-DCAQKATOSA-N 1 2 263.345 0.011 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001387592933 909160109 /nfs/dbraw/zinc/16/01/09/909160109.db2.gz HILMZIYOCGRZAA-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cn2nccc2C)C1 ZINC001318067315 909606371 /nfs/dbraw/zinc/60/63/71/909606371.db2.gz PPNBSUGXWFMWHX-UHFFFAOYSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001318088044 909616060 /nfs/dbraw/zinc/61/60/60/909616060.db2.gz YAMMFOGCAHPJIQ-UHFFFAOYSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001318118847 909632600 /nfs/dbraw/zinc/63/26/00/909632600.db2.gz DRTJRMUNBPANIJ-LBPRGKRZSA-N 1 2 290.367 0.006 20 30 CCEDLO C=C(C)CCC(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001318127174 909634921 /nfs/dbraw/zinc/63/49/21/909634921.db2.gz OXPFNHGJQBODQE-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001318154877 909644309 /nfs/dbraw/zinc/64/43/09/909644309.db2.gz LXAYJENGSUXFFF-MRVWCRGKSA-N 1 2 291.395 0.218 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001318209856 909666068 /nfs/dbraw/zinc/66/60/68/909666068.db2.gz RDBZBRISOPJXTQ-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001318209856 909666073 /nfs/dbraw/zinc/66/60/73/909666073.db2.gz RDBZBRISOPJXTQ-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001318320713 909706246 /nfs/dbraw/zinc/70/62/46/909706246.db2.gz JJKJXXFNXGXKHT-CHWSQXEVSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001318320713 909706247 /nfs/dbraw/zinc/70/62/47/909706247.db2.gz JJKJXXFNXGXKHT-CHWSQXEVSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001318421260 909747132 /nfs/dbraw/zinc/74/71/32/909747132.db2.gz DNGFIFOIUSMTAU-NWDGAFQWSA-N 1 2 283.347 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001318421260 909747145 /nfs/dbraw/zinc/74/71/45/909747145.db2.gz DNGFIFOIUSMTAU-NWDGAFQWSA-N 1 2 283.347 0.017 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001318541929 909808136 /nfs/dbraw/zinc/80/81/36/909808136.db2.gz PAXIMKXRJAVPLO-VXGBXAGGSA-N 1 2 275.356 0.453 20 30 CCEDLO COc1nccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001389454902 909906968 /nfs/dbraw/zinc/90/69/68/909906968.db2.gz REVDOVXELBKPEM-CMPLNLGQSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1nccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001389454902 909906977 /nfs/dbraw/zinc/90/69/77/909906977.db2.gz REVDOVXELBKPEM-CMPLNLGQSA-N 1 2 289.339 0.335 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001319311129 910091237 /nfs/dbraw/zinc/09/12/37/910091237.db2.gz YBCSFVBPCGAGQM-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001319311129 910091248 /nfs/dbraw/zinc/09/12/48/910091248.db2.gz YBCSFVBPCGAGQM-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C=C1CCC1 ZINC001319989333 910400883 /nfs/dbraw/zinc/40/08/83/910400883.db2.gz DUEFFJOULKUFSD-UHFFFAOYSA-N 1 2 278.356 0.127 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C=C1CCC1 ZINC001319989333 910400898 /nfs/dbraw/zinc/40/08/98/910400898.db2.gz DUEFFJOULKUFSD-UHFFFAOYSA-N 1 2 278.356 0.127 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCO[C@H]1C ZINC001320067807 910448966 /nfs/dbraw/zinc/44/89/66/910448966.db2.gz VSXFXHMQYGYICO-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCO[C@H]1C ZINC001320067807 910448975 /nfs/dbraw/zinc/44/89/75/910448975.db2.gz VSXFXHMQYGYICO-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1CNCC#N ZINC001320170418 910491610 /nfs/dbraw/zinc/49/16/10/910491610.db2.gz IDGJPXGVHPFCIG-WCQYABFASA-N 1 2 275.356 0.361 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001390544797 910509296 /nfs/dbraw/zinc/50/92/96/910509296.db2.gz YCPUHFRPNNTYNV-WDEREUQCSA-N 1 2 277.328 0.054 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncn(C)n1 ZINC001390891832 910762729 /nfs/dbraw/zinc/76/27/29/910762729.db2.gz JFAFYMHCADJYLJ-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncn(C)n1 ZINC001390891832 910762758 /nfs/dbraw/zinc/76/27/58/910762758.db2.gz JFAFYMHCADJYLJ-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO N#CCSCC(=O)NC/C=C\C[NH2+]Cc1csnn1 ZINC001320969201 910966458 /nfs/dbraw/zinc/96/64/58/910966458.db2.gz FVBCSFZMVUXNDE-UPHRSURJSA-N 1 2 297.409 0.557 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CSCC#N ZINC001322116401 911661093 /nfs/dbraw/zinc/66/10/93/911661093.db2.gz HUVIBFPWBSOPMS-SNVBAGLBSA-N 1 2 296.400 0.008 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CSCC#N ZINC001322116401 911661104 /nfs/dbraw/zinc/66/11/04/911661104.db2.gz HUVIBFPWBSOPMS-SNVBAGLBSA-N 1 2 296.400 0.008 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001322263387 911736128 /nfs/dbraw/zinc/73/61/28/911736128.db2.gz ZFZFADXPVZAFLG-AAEUAGOBSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001322263387 911736145 /nfs/dbraw/zinc/73/61/45/911736145.db2.gz ZFZFADXPVZAFLG-AAEUAGOBSA-N 1 2 286.397 0.023 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001322837077 911982393 /nfs/dbraw/zinc/98/23/93/911982393.db2.gz MXAZEZMDDFXBSE-UHFFFAOYSA-N 1 2 290.367 0.814 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001392688662 912087259 /nfs/dbraw/zinc/08/72/59/912087259.db2.gz YQWSTEYGPVUHMH-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001392688662 912087273 /nfs/dbraw/zinc/08/72/73/912087273.db2.gz YQWSTEYGPVUHMH-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001323190942 912167510 /nfs/dbraw/zinc/16/75/10/912167510.db2.gz GLLNQMGIPMJZTA-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001323190942 912167519 /nfs/dbraw/zinc/16/75/19/912167519.db2.gz GLLNQMGIPMJZTA-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)COC ZINC001323198946 912175857 /nfs/dbraw/zinc/17/58/57/912175857.db2.gz MCSQXYATZVDGNH-CHWSQXEVSA-N 1 2 268.357 0.109 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)COC ZINC001323198946 912175875 /nfs/dbraw/zinc/17/58/75/912175875.db2.gz MCSQXYATZVDGNH-CHWSQXEVSA-N 1 2 268.357 0.109 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC1(O)CCC1 ZINC001323232166 912205520 /nfs/dbraw/zinc/20/55/20/912205520.db2.gz OCSSUSURBHCBDH-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC1(O)CCC1 ZINC001323232166 912205539 /nfs/dbraw/zinc/20/55/39/912205539.db2.gz OCSSUSURBHCBDH-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001328101205 914969369 /nfs/dbraw/zinc/96/93/69/914969369.db2.gz DJQGKZACJKRPBZ-CYBMUJFWSA-N 1 2 289.383 0.587 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001328101205 914969375 /nfs/dbraw/zinc/96/93/75/914969375.db2.gz DJQGKZACJKRPBZ-CYBMUJFWSA-N 1 2 289.383 0.587 20 30 CCEDLO C=CCOCC(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC001328117047 914977421 /nfs/dbraw/zinc/97/74/21/914977421.db2.gz SBTLPEYKDYQNFJ-UHFFFAOYSA-N 1 2 291.395 0.041 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001399490847 915197661 /nfs/dbraw/zinc/19/76/61/915197661.db2.gz PRBKZGXZINHLNV-UHFFFAOYSA-N 1 2 271.752 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001399490847 915197675 /nfs/dbraw/zinc/19/76/75/915197675.db2.gz PRBKZGXZINHLNV-UHFFFAOYSA-N 1 2 271.752 0.456 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC001329107747 915674996 /nfs/dbraw/zinc/67/49/96/915674996.db2.gz UHMVBUCYUJUIOT-GFCCVEGCSA-N 1 2 267.292 0.433 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CCOC)C1 ZINC001329628931 916079352 /nfs/dbraw/zinc/07/93/52/916079352.db2.gz VNEAESIRTPZACB-UHFFFAOYSA-N 1 2 256.346 0.152 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@H](C)COC)C1 ZINC001329668064 916112070 /nfs/dbraw/zinc/11/20/70/916112070.db2.gz OVFQTXHLKHJXFU-KGLIPLIRSA-N 1 2 296.411 0.481 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001401735716 916534096 /nfs/dbraw/zinc/53/40/96/916534096.db2.gz PCHPFNOEOMBQOD-QWRGUYRKSA-N 1 2 292.387 0.703 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001401735716 916534106 /nfs/dbraw/zinc/53/41/06/916534106.db2.gz PCHPFNOEOMBQOD-QWRGUYRKSA-N 1 2 292.387 0.703 20 30 CCEDLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001402323837 916956554 /nfs/dbraw/zinc/95/65/54/916956554.db2.gz DPOFKLYTIXKZIT-SNVBAGLBSA-N 1 2 294.330 0.411 20 30 CCEDLO C[N@H+](CCCCC#N)Cc1nnc2c(=O)[nH]ccn12 ZINC001331181430 917160792 /nfs/dbraw/zinc/16/07/92/917160792.db2.gz WYFLLUFGOVOUJI-UHFFFAOYSA-N 1 2 260.301 0.543 20 30 CCEDLO C[N@@H+](CCCCC#N)Cc1nnc2c(=O)[nH]ccn12 ZINC001331181430 917160801 /nfs/dbraw/zinc/16/08/01/917160801.db2.gz WYFLLUFGOVOUJI-UHFFFAOYSA-N 1 2 260.301 0.543 20 30 CCEDLO CCCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001402852007 917284314 /nfs/dbraw/zinc/28/43/14/917284314.db2.gz KODKFSUBOCMQHU-ZJUUUORDSA-N 1 2 279.344 0.776 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001403191328 917572381 /nfs/dbraw/zinc/57/23/81/917572381.db2.gz RBCVXXZSIJIJCY-JTQLQIEISA-N 1 2 298.774 0.583 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001403191328 917572390 /nfs/dbraw/zinc/57/23/90/917572390.db2.gz RBCVXXZSIJIJCY-JTQLQIEISA-N 1 2 298.774 0.583 20 30 CCEDLO C=C[C@H](COC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001331961599 917759287 /nfs/dbraw/zinc/75/92/87/917759287.db2.gz WLADAUKIXJQOKB-ZYOFXKKJSA-N 1 2 254.330 0.192 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001403922653 918103431 /nfs/dbraw/zinc/10/34/31/918103431.db2.gz DCXIVAXISYCHPN-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001403922653 918103444 /nfs/dbraw/zinc/10/34/44/918103444.db2.gz DCXIVAXISYCHPN-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001332416681 918137601 /nfs/dbraw/zinc/13/76/01/918137601.db2.gz OFXAMAVENWKHEP-NWDGAFQWSA-N 1 2 284.356 0.331 20 30 CCEDLO COCC[N@H+](CCF)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001403950692 918143963 /nfs/dbraw/zinc/14/39/63/918143963.db2.gz AKGYBRVMOVBHLL-UHFFFAOYSA-N 1 2 282.319 0.534 20 30 CCEDLO COCC[N@@H+](CCF)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001403950692 918143970 /nfs/dbraw/zinc/14/39/70/918143970.db2.gz AKGYBRVMOVBHLL-UHFFFAOYSA-N 1 2 282.319 0.534 20 30 CCEDLO C=C(C)Cn1nnnc1N(C)CCCn1cc[nH+]c1 ZINC001332486599 918203087 /nfs/dbraw/zinc/20/30/87/918203087.db2.gz GHSMAQXNHAIZBF-UHFFFAOYSA-N 1 2 261.333 0.972 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C#CC1CC1 ZINC001332707468 918395637 /nfs/dbraw/zinc/39/56/37/918395637.db2.gz LZRZOBMAJDCLGW-UHFFFAOYSA-N 1 2 265.357 0.054 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C#CC1CC1 ZINC001332707468 918395652 /nfs/dbraw/zinc/39/56/52/918395652.db2.gz LZRZOBMAJDCLGW-UHFFFAOYSA-N 1 2 265.357 0.054 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccnn1C ZINC001333183785 918716402 /nfs/dbraw/zinc/71/64/02/918716402.db2.gz LRXCKHKGMRTOLJ-UWVGGRQHSA-N 1 2 280.328 0.044 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC2(CC1)OCCO2 ZINC001333413188 918883397 /nfs/dbraw/zinc/88/33/97/918883397.db2.gz CYOQGABYWUTTNB-NSHDSACASA-N 1 2 267.329 0.244 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405860009 918946443 /nfs/dbraw/zinc/94/64/43/918946443.db2.gz PPTSYXUYGUYLEE-BMQDGWLCSA-N 1 2 289.339 0.217 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405860078 918948866 /nfs/dbraw/zinc/94/88/66/918948866.db2.gz PPTSYXUYGUYLEE-GRZMOONWSA-N 1 2 289.339 0.217 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC001333778329 919155356 /nfs/dbraw/zinc/15/53/56/919155356.db2.gz BCNHKOLERQSRTL-ZDUSSCGKSA-N 1 2 262.313 0.264 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC001333778329 919155358 /nfs/dbraw/zinc/15/53/58/919155358.db2.gz BCNHKOLERQSRTL-ZDUSSCGKSA-N 1 2 262.313 0.264 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001334385050 919540557 /nfs/dbraw/zinc/54/05/57/919540557.db2.gz BILARJJIZJPJDQ-VHSXEESVSA-N 1 2 270.358 0.474 20 30 CCEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)NCCC#N)C2)no1 ZINC001334462790 919606821 /nfs/dbraw/zinc/60/68/21/919606821.db2.gz DITLJOPZWMBEQX-JTQLQIEISA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)NCCC#N)C2)no1 ZINC001334462790 919606810 /nfs/dbraw/zinc/60/68/10/919606810.db2.gz DITLJOPZWMBEQX-JTQLQIEISA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCC2)o1 ZINC001407778595 919884773 /nfs/dbraw/zinc/88/47/73/919884773.db2.gz UQABLXGVBJABSJ-VIFPVBQESA-N 1 2 277.328 0.666 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H](C)OC)CC1 ZINC001408248136 920109930 /nfs/dbraw/zinc/10/99/30/920109930.db2.gz BVTKZGAENQBLCB-NSHDSACASA-N 1 2 290.791 0.717 20 30 CCEDLO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001336293947 920703706 /nfs/dbraw/zinc/70/37/06/920703706.db2.gz VOQYPLGVXZAMFB-LBPRGKRZSA-N 1 2 290.367 0.055 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCn1cc[nH+]c1 ZINC001415721272 920812668 /nfs/dbraw/zinc/81/26/68/920812668.db2.gz QNSXZDPPRSRVKH-LBPRGKRZSA-N 1 2 291.355 0.398 20 30 CCEDLO C#CC[NH2+]CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001340242674 922021950 /nfs/dbraw/zinc/02/19/50/922021950.db2.gz WAYWTTVVQLYTFQ-UHFFFAOYSA-N 1 2 274.299 0.584 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001341650218 922605324 /nfs/dbraw/zinc/60/53/24/922605324.db2.gz YMHNDQCDEMTFGT-GZMMTYOYSA-N 1 2 255.281 0.404 20 30 CCEDLO C=CCN(c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001341721244 922643725 /nfs/dbraw/zinc/64/37/25/922643725.db2.gz YNOFMRSOAKZESC-VXGBXAGGSA-N 1 2 277.372 0.707 20 30 CCEDLO C=CCN(c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001341721244 922643735 /nfs/dbraw/zinc/64/37/35/922643735.db2.gz YNOFMRSOAKZESC-VXGBXAGGSA-N 1 2 277.372 0.707 20 30 CCEDLO COc1cncc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)n1 ZINC001420192688 923395613 /nfs/dbraw/zinc/39/56/13/923395613.db2.gz PZRMPPLQKFZSMM-SNVBAGLBSA-N 1 2 277.328 0.193 20 30 CCEDLO COc1cncc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)n1 ZINC001420192688 923395628 /nfs/dbraw/zinc/39/56/28/923395628.db2.gz PZRMPPLQKFZSMM-SNVBAGLBSA-N 1 2 277.328 0.193 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1=O ZINC001343797788 923472916 /nfs/dbraw/zinc/47/29/16/923472916.db2.gz XAIJKLDHCNYAAP-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1=O ZINC001343797788 923472921 /nfs/dbraw/zinc/47/29/21/923472921.db2.gz XAIJKLDHCNYAAP-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC001344464240 923609964 /nfs/dbraw/zinc/60/99/64/923609964.db2.gz IMITZKJGHGFXFT-MNOVXSKESA-N 1 2 281.312 0.305 20 30 CCEDLO C#CC[NH+]1CCC(OC(=O)CS(=O)(=O)C2CC2)CC1 ZINC001344942809 923738711 /nfs/dbraw/zinc/73/87/11/923738711.db2.gz SVGXHTUVHBSIFY-UHFFFAOYSA-N 1 2 285.365 0.204 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001345397888 923870647 /nfs/dbraw/zinc/87/06/47/923870647.db2.gz PRQKXCTZACTTDC-UHFFFAOYSA-N 1 2 273.336 0.844 20 30 CCEDLO N#CC1(CNC(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC001346222431 924118467 /nfs/dbraw/zinc/11/84/67/924118467.db2.gz XEXXXZUTCSGFCZ-UHFFFAOYSA-N 1 2 291.355 0.893 20 30 CCEDLO C#CCCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346340942 924166824 /nfs/dbraw/zinc/16/68/24/924166824.db2.gz CNDOXRCLEMRCPB-ZDUSSCGKSA-N 1 2 266.389 0.335 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001479964827 924961299 /nfs/dbraw/zinc/96/12/99/924961299.db2.gz AEQZOXCKZRXFLP-LLVKDONJSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001479964827 924961304 /nfs/dbraw/zinc/96/13/04/924961304.db2.gz AEQZOXCKZRXFLP-LLVKDONJSA-N 1 2 288.413 0.576 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3nc[nH]n3)n2CC=C)CC1 ZINC001355968377 926332305 /nfs/dbraw/zinc/33/23/05/926332305.db2.gz ISOKNUNBEZLSQP-UHFFFAOYSA-N 1 2 298.354 0.004 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C ZINC001421304595 926664390 /nfs/dbraw/zinc/66/43/90/926664390.db2.gz HVCZYJGQIAVEJR-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C ZINC001421304595 926664395 /nfs/dbraw/zinc/66/43/95/926664395.db2.gz HVCZYJGQIAVEJR-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1conc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421333999 926680339 /nfs/dbraw/zinc/68/03/39/926680339.db2.gz ASWFMDRASRUPOY-IINYFYTJSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1conc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421333999 926680351 /nfs/dbraw/zinc/68/03/51/926680351.db2.gz ASWFMDRASRUPOY-IINYFYTJSA-N 1 2 292.339 0.196 20 30 CCEDLO CC(C)C#CC(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001358729250 926807706 /nfs/dbraw/zinc/80/77/06/926807706.db2.gz PAEJVNLDNUQGJL-UHFFFAOYSA-N 1 2 288.351 0.281 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2csnn2)CCC1 ZINC001421733145 926883383 /nfs/dbraw/zinc/88/33/83/926883383.db2.gz CBYVIJFNUAWVIU-VIFPVBQESA-N 1 2 279.369 0.826 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001424545754 928212769 /nfs/dbraw/zinc/21/27/69/928212769.db2.gz UWQBTRFUMUFCGB-VHSXEESVSA-N 1 2 289.339 0.075 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001362594317 928225457 /nfs/dbraw/zinc/22/54/57/928225457.db2.gz ABTMVLGYYRYINC-RISCZKNCSA-N 1 2 274.324 0.323 20 30 CCEDLO CCc1[nH]c(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c[nH+]1 ZINC001424794854 928296682 /nfs/dbraw/zinc/29/66/82/928296682.db2.gz NRLFGNSEGYOHED-VIFPVBQESA-N 1 2 285.373 0.398 20 30 CCEDLO CCc1[nH]cc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)[nH+]1 ZINC001424794854 928296698 /nfs/dbraw/zinc/29/66/98/928296698.db2.gz NRLFGNSEGYOHED-VIFPVBQESA-N 1 2 285.373 0.398 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001362721402 928407375 /nfs/dbraw/zinc/40/73/75/928407375.db2.gz VZQPCOAERPZCIJ-LLVKDONJSA-N 1 2 274.280 0.657 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285547 928493720 /nfs/dbraw/zinc/49/37/20/928493720.db2.gz SXBPBLJVNVPIAY-AAEUAGOBSA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285547 928493725 /nfs/dbraw/zinc/49/37/25/928493725.db2.gz SXBPBLJVNVPIAY-AAEUAGOBSA-N 1 2 289.383 0.906 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001363276981 929061748 /nfs/dbraw/zinc/06/17/48/929061748.db2.gz PCQYBAWFHGZVMA-AVGNSLFASA-N 1 2 285.303 0.189 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001363276981 929061755 /nfs/dbraw/zinc/06/17/55/929061755.db2.gz PCQYBAWFHGZVMA-AVGNSLFASA-N 1 2 285.303 0.189 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC2(CC2)C1 ZINC001363284534 929073554 /nfs/dbraw/zinc/07/35/54/929073554.db2.gz WBUMKJROMCXRGW-NSHDSACASA-N 1 2 274.324 0.513 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC2(CC2)C1 ZINC001363284534 929073566 /nfs/dbraw/zinc/07/35/66/929073566.db2.gz WBUMKJROMCXRGW-NSHDSACASA-N 1 2 274.324 0.513 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001428786829 929317544 /nfs/dbraw/zinc/31/75/44/929317544.db2.gz LKZNFRNMIMNKRC-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001428786829 929317550 /nfs/dbraw/zinc/31/75/50/929317550.db2.gz LKZNFRNMIMNKRC-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001429286151 929426929 /nfs/dbraw/zinc/42/69/29/929426929.db2.gz LRKIFRUFIMOIMU-GHMZBOCLSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001429286151 929426936 /nfs/dbraw/zinc/42/69/36/929426936.db2.gz LRKIFRUFIMOIMU-GHMZBOCLSA-N 1 2 291.355 0.323 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1F ZINC001363797080 929586924 /nfs/dbraw/zinc/58/69/24/929586924.db2.gz MRYDRZXECACJSF-CHWSQXEVSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1F ZINC001363797080 929586933 /nfs/dbraw/zinc/58/69/33/929586933.db2.gz MRYDRZXECACJSF-CHWSQXEVSA-N 1 2 289.310 0.787 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001443613509 929662809 /nfs/dbraw/zinc/66/28/09/929662809.db2.gz KCRRZZMWHOWDEU-GFCCVEGCSA-N 1 2 287.791 0.702 20 30 CCEDLO COc1cncc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001444958882 929981180 /nfs/dbraw/zinc/98/11/80/929981180.db2.gz WDFTXOLHWXUGBO-LLVKDONJSA-N 1 2 291.355 0.535 20 30 CCEDLO COc1cncc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001444958882 929981182 /nfs/dbraw/zinc/98/11/82/929981182.db2.gz WDFTXOLHWXUGBO-LLVKDONJSA-N 1 2 291.355 0.535 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001373025974 930050612 /nfs/dbraw/zinc/05/06/12/930050612.db2.gz TZUGRGWPYLPKOW-GHMZBOCLSA-N 1 2 291.355 0.133 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446609407 930447981 /nfs/dbraw/zinc/44/79/81/930447981.db2.gz KNOIMRDAILHPQQ-YUSALJHKSA-N 1 2 277.324 0.042 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC001447307600 930604569 /nfs/dbraw/zinc/60/45/69/930604569.db2.gz SFLBWQOSCRZFNF-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC001447307600 930604573 /nfs/dbraw/zinc/60/45/73/930604573.db2.gz SFLBWQOSCRZFNF-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375220655 930823466 /nfs/dbraw/zinc/82/34/66/930823466.db2.gz PTKOADMJKIVXSC-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001376318016 931120588 /nfs/dbraw/zinc/12/05/88/931120588.db2.gz NOXUCUQIDJKXRP-LLVKDONJSA-N 1 2 291.355 0.419 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001376318016 931120592 /nfs/dbraw/zinc/12/05/92/931120592.db2.gz NOXUCUQIDJKXRP-LLVKDONJSA-N 1 2 291.355 0.419 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)C ZINC000076651930 260114069 /nfs/dbraw/zinc/11/40/69/260114069.db2.gz PEQUVDSPXAMSPH-NSHDSACASA-N 1 2 268.361 0.015 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000076651930 260114071 /nfs/dbraw/zinc/11/40/71/260114071.db2.gz PEQUVDSPXAMSPH-NSHDSACASA-N 1 2 268.361 0.015 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cnccc1C#N ZINC000091735207 349474072 /nfs/dbraw/zinc/47/40/72/349474072.db2.gz FMGNMZDLJSLFAI-CYBMUJFWSA-N 1 2 276.340 0.083 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599566907 361747115 /nfs/dbraw/zinc/74/71/15/361747115.db2.gz JRIPLALNLHALRB-YPMHNXCESA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599566907 361747116 /nfs/dbraw/zinc/74/71/16/361747116.db2.gz JRIPLALNLHALRB-YPMHNXCESA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCCC#N ZINC000599581223 361753093 /nfs/dbraw/zinc/75/30/93/361753093.db2.gz DXNYAUIQSNDZAB-WDEREUQCSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCCC#N ZINC000599581223 361753098 /nfs/dbraw/zinc/75/30/98/361753098.db2.gz DXNYAUIQSNDZAB-WDEREUQCSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCCC#N)C1 ZINC000599581220 361753779 /nfs/dbraw/zinc/75/37/79/361753779.db2.gz DXNYAUIQSNDZAB-GHMZBOCLSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCCC#N)C1 ZINC000599581220 361753780 /nfs/dbraw/zinc/75/37/80/361753780.db2.gz DXNYAUIQSNDZAB-GHMZBOCLSA-N 1 2 268.313 0.717 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)CC3)n2c1 ZINC000093047657 349522709 /nfs/dbraw/zinc/52/27/09/349522709.db2.gz AGGPCIVYIFMXLS-UHFFFAOYSA-N 1 2 290.348 0.436 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@@H](C)COC ZINC000617575702 365684533 /nfs/dbraw/zinc/68/45/33/365684533.db2.gz CCOYJMVKCXAUNT-ZDUSSCGKSA-N 1 2 299.415 0.492 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@@H](C)COC ZINC000617575702 365684536 /nfs/dbraw/zinc/68/45/36/365684536.db2.gz CCOYJMVKCXAUNT-ZDUSSCGKSA-N 1 2 299.415 0.492 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000600423030 361958409 /nfs/dbraw/zinc/95/84/09/361958409.db2.gz ZQMUVJXJPUGMLI-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000600423030 361958412 /nfs/dbraw/zinc/95/84/12/361958412.db2.gz ZQMUVJXJPUGMLI-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO N#Cc1cccnc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000600975993 362111135 /nfs/dbraw/zinc/11/11/35/362111135.db2.gz GZEYYNDGODFUQE-NSHDSACASA-N 1 2 256.269 0.195 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253263 362190437 /nfs/dbraw/zinc/19/04/37/362190437.db2.gz ICLOUKMPLZCBDR-UHFFFAOYSA-N 1 2 295.350 0.503 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(O)CCSC2)C1 ZINC000329000199 529788094 /nfs/dbraw/zinc/78/80/94/529788094.db2.gz XGDKWMOISQCKOL-KOLCDFICSA-N 1 2 260.359 0.142 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@]2(O)CCSC2)C1 ZINC000329000199 529788095 /nfs/dbraw/zinc/78/80/95/529788095.db2.gz XGDKWMOISQCKOL-KOLCDFICSA-N 1 2 260.359 0.142 20 30 CCEDLO C[C@@H](Oc1ccccn1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573566487 334947880 /nfs/dbraw/zinc/94/78/80/334947880.db2.gz BXCDKQGXOHGRCL-BXUZGUMPSA-N 1 2 276.340 0.809 20 30 CCEDLO C[C@H](C#N)N(C1CC1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601463040 362280972 /nfs/dbraw/zinc/28/09/72/362280972.db2.gz GELMELITCGIBGJ-PWSUYJOCSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@H](C#N)N(C1CC1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601463040 362280979 /nfs/dbraw/zinc/28/09/79/362280979.db2.gz GELMELITCGIBGJ-PWSUYJOCSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601531194 362301398 /nfs/dbraw/zinc/30/13/98/362301398.db2.gz MDGQLMVQNSBNFO-VIFPVBQESA-N 1 2 271.346 0.320 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N=c1[nH][nH]cc1C#N)CC2 ZINC000601636722 362334359 /nfs/dbraw/zinc/33/43/59/362334359.db2.gz NTDMHNKXZYTZOQ-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000601980380 362449187 /nfs/dbraw/zinc/44/91/87/362449187.db2.gz UNUWKNIWHICUSF-SNVBAGLBSA-N 1 2 266.732 0.719 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000601980380 362449192 /nfs/dbraw/zinc/44/91/92/362449192.db2.gz UNUWKNIWHICUSF-SNVBAGLBSA-N 1 2 266.732 0.719 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602103382 362489628 /nfs/dbraw/zinc/48/96/28/362489628.db2.gz PPSSCETXYREXMP-GFCCVEGCSA-N 1 2 292.339 0.995 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)cn1 ZINC000355427242 136468936 /nfs/dbraw/zinc/46/89/36/136468936.db2.gz XCHQZJFUGCSXFZ-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO COCC[N@H+](Cc1cccc(C#N)n1)[C@H](C)C(N)=O ZINC000602460066 362628378 /nfs/dbraw/zinc/62/83/78/362628378.db2.gz AKODAWIIXDRHPT-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)C(N)=O ZINC000602460066 362628381 /nfs/dbraw/zinc/62/83/81/362628381.db2.gz AKODAWIIXDRHPT-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO N#Cc1cccc(CN2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000602451448 362623443 /nfs/dbraw/zinc/62/34/43/362623443.db2.gz GWLOCHXXCKHXRY-HNNXBMFYSA-N 1 2 272.352 0.860 20 30 CCEDLO C=CCCSCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602533125 362662665 /nfs/dbraw/zinc/66/26/65/362662665.db2.gz ZOYOORKEFONVIS-LLVKDONJSA-N 1 2 285.413 0.232 20 30 CCEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)on1 ZINC000602695218 362755496 /nfs/dbraw/zinc/75/54/96/362755496.db2.gz FUBDRELFRWHVMH-GFCCVEGCSA-N 1 2 265.269 0.312 20 30 CCEDLO COC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)on1 ZINC000602695218 362755503 /nfs/dbraw/zinc/75/55/03/362755503.db2.gz FUBDRELFRWHVMH-GFCCVEGCSA-N 1 2 265.269 0.312 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000602748087 362780692 /nfs/dbraw/zinc/78/06/92/362780692.db2.gz KFECTXBKTKZOEO-UHFFFAOYSA-N 1 2 270.340 0.761 20 30 CCEDLO N#CCC1(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000602756801 362785901 /nfs/dbraw/zinc/78/59/01/362785901.db2.gz QEQCOBAKKNMAMW-UHFFFAOYSA-N 1 2 290.411 0.920 20 30 CCEDLO N#CCC1(CN2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000602756801 362785904 /nfs/dbraw/zinc/78/59/04/362785904.db2.gz QEQCOBAKKNMAMW-UHFFFAOYSA-N 1 2 290.411 0.920 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602816284 362816661 /nfs/dbraw/zinc/81/66/61/362816661.db2.gz UMTUNTPKZVHWKC-QWRGUYRKSA-N 1 2 252.314 0.679 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602816284 362816667 /nfs/dbraw/zinc/81/66/67/362816667.db2.gz UMTUNTPKZVHWKC-QWRGUYRKSA-N 1 2 252.314 0.679 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000602851533 362839039 /nfs/dbraw/zinc/83/90/39/362839039.db2.gz LXGBXPWGXASGQS-CYBMUJFWSA-N 1 2 260.297 0.371 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000602851533 362839043 /nfs/dbraw/zinc/83/90/43/362839043.db2.gz LXGBXPWGXASGQS-CYBMUJFWSA-N 1 2 260.297 0.371 20 30 CCEDLO COCC(COC)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838289 362827668 /nfs/dbraw/zinc/82/76/68/362827668.db2.gz DNEUDHDVXNIYKQ-UHFFFAOYSA-N 1 2 281.400 0.959 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H](C)N1CC#N ZINC000602857304 362843609 /nfs/dbraw/zinc/84/36/09/362843609.db2.gz QNGZGAZLSXEUQZ-MJBXVCDLSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H](C)N1CC#N ZINC000602857304 362843613 /nfs/dbraw/zinc/84/36/13/362843613.db2.gz QNGZGAZLSXEUQZ-MJBXVCDLSA-N 1 2 294.399 0.200 20 30 CCEDLO Cc1cc(NCC[NH+]2CCN(C)CC2)cc(C#N)n1 ZINC000308280019 137071074 /nfs/dbraw/zinc/07/10/74/137071074.db2.gz QNHDEUIYBSYDQO-UHFFFAOYSA-N 1 2 259.357 0.921 20 30 CCEDLO Cc1nc2[nH]ccc2c(NCCn2cnc(C#N)n2)[nH+]1 ZINC000343507338 137139333 /nfs/dbraw/zinc/13/93/33/137139333.db2.gz CKEFTIARWSLSPN-UHFFFAOYSA-N 1 2 268.284 0.264 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000344308759 137187858 /nfs/dbraw/zinc/18/78/58/137187858.db2.gz PCSVZWIXHFUJMS-VIFPVBQESA-N 1 2 281.337 0.666 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000344308759 137187859 /nfs/dbraw/zinc/18/78/59/137187859.db2.gz PCSVZWIXHFUJMS-VIFPVBQESA-N 1 2 281.337 0.666 20 30 CCEDLO N#Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000034673849 348151125 /nfs/dbraw/zinc/15/11/25/348151125.db2.gz VZLAQZVWSMGMHN-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C(C)C ZINC000602982884 362921883 /nfs/dbraw/zinc/92/18/83/362921883.db2.gz ZLKTVZXPQHOKRZ-SCRDCRAPSA-N 1 2 295.383 0.924 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C(C)C ZINC000602982884 362921885 /nfs/dbraw/zinc/92/18/85/362921885.db2.gz ZLKTVZXPQHOKRZ-SCRDCRAPSA-N 1 2 295.383 0.924 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000347661768 137348699 /nfs/dbraw/zinc/34/86/99/137348699.db2.gz KDPBXFQGRXFWGD-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000347661768 137348700 /nfs/dbraw/zinc/34/87/00/137348700.db2.gz KDPBXFQGRXFWGD-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054867725 348565461 /nfs/dbraw/zinc/56/54/61/348565461.db2.gz NHWBYYSQUAJGLW-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054867725 348565462 /nfs/dbraw/zinc/56/54/62/348565462.db2.gz NHWBYYSQUAJGLW-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060063 348569680 /nfs/dbraw/zinc/56/96/80/348569680.db2.gz MZIIYJNKJBUCMX-UHFFFAOYSA-N 1 2 291.351 0.730 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060063 348569682 /nfs/dbraw/zinc/56/96/82/348569682.db2.gz MZIIYJNKJBUCMX-UHFFFAOYSA-N 1 2 291.351 0.730 20 30 CCEDLO CNC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397726 348626525 /nfs/dbraw/zinc/62/65/25/348626525.db2.gz BKFMZFMLERULHZ-UHFFFAOYSA-N 1 2 261.325 0.753 20 30 CCEDLO CNC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397726 348626529 /nfs/dbraw/zinc/62/65/29/348626529.db2.gz BKFMZFMLERULHZ-UHFFFAOYSA-N 1 2 261.325 0.753 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000063504381 348686651 /nfs/dbraw/zinc/68/66/51/348686651.db2.gz CNOJYPPDELATLJ-OAHLLOKOSA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000063504381 348686652 /nfs/dbraw/zinc/68/66/52/348686652.db2.gz CNOJYPPDELATLJ-OAHLLOKOSA-N 1 2 294.399 0.771 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000066656988 348753287 /nfs/dbraw/zinc/75/32/87/348753287.db2.gz NLBZTGFEKSQEEE-UHFFFAOYSA-N 1 2 267.354 0.836 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000066656988 348753291 /nfs/dbraw/zinc/75/32/91/348753291.db2.gz NLBZTGFEKSQEEE-UHFFFAOYSA-N 1 2 267.354 0.836 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072989265 348940070 /nfs/dbraw/zinc/94/00/70/348940070.db2.gz LBAMAYSAVPMAKJ-UHFFFAOYSA-N 1 2 279.344 0.347 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072989265 348940074 /nfs/dbraw/zinc/94/00/74/348940074.db2.gz LBAMAYSAVPMAKJ-UHFFFAOYSA-N 1 2 279.344 0.347 20 30 CCEDLO N#Cc1nccnc1Nc1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000072082195 348914584 /nfs/dbraw/zinc/91/45/84/348914584.db2.gz QFZVLANSCDQGSD-UHFFFAOYSA-N 1 2 295.306 0.423 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000075637189 349044147 /nfs/dbraw/zinc/04/41/47/349044147.db2.gz OERAYNHRSWXDEJ-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000075637189 349044149 /nfs/dbraw/zinc/04/41/49/349044149.db2.gz OERAYNHRSWXDEJ-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443520 349306020 /nfs/dbraw/zinc/30/60/20/349306020.db2.gz JDWATHMOQWKVHK-SNVBAGLBSA-N 1 2 263.345 0.675 20 30 CCEDLO CN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000084203665 349316833 /nfs/dbraw/zinc/31/68/33/349316833.db2.gz KERDPKSZNGUAGK-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000084203665 349316836 /nfs/dbraw/zinc/31/68/36/349316836.db2.gz KERDPKSZNGUAGK-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(N)=O ZINC000135058061 350383206 /nfs/dbraw/zinc/38/32/06/350383206.db2.gz VWXOBTUFWYCLDT-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(N)=O ZINC000135058061 350383207 /nfs/dbraw/zinc/38/32/07/350383207.db2.gz VWXOBTUFWYCLDT-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000110484017 186298904 /nfs/dbraw/zinc/29/89/04/186298904.db2.gz BZLIBBIGRMIKMA-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000110484017 186298906 /nfs/dbraw/zinc/29/89/06/186298906.db2.gz BZLIBBIGRMIKMA-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO CC(C)(CNC(=O)c1cc(C#N)c[nH]1)[NH+]1CCOCC1 ZINC000175071583 351117030 /nfs/dbraw/zinc/11/70/30/351117030.db2.gz YHCDPTWDQONRTP-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CC2OCCO2)CC1 ZINC000181946388 351342115 /nfs/dbraw/zinc/34/21/15/351342115.db2.gz JHSCAHQOMNWOOR-UHFFFAOYSA-N 1 2 274.324 0.448 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603271342 363038018 /nfs/dbraw/zinc/03/80/18/363038018.db2.gz HHZNMOQSIOAKHS-JTQLQIEISA-N 1 2 256.331 0.304 20 30 CCEDLO N#CCCN(CC1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603278098 363041711 /nfs/dbraw/zinc/04/17/11/363041711.db2.gz ALNDOHSPSYBOTJ-UHFFFAOYSA-N 1 2 282.369 0.839 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603283680 363044193 /nfs/dbraw/zinc/04/41/93/363044193.db2.gz MAJHDJAJAMPVII-NSHDSACASA-N 1 2 270.358 0.694 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1C#N ZINC000188598602 351610090 /nfs/dbraw/zinc/61/00/90/351610090.db2.gz LPGCFLAOZHAFCK-QWHCGFSZSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOc1ccccc1C#N ZINC000188598602 351610093 /nfs/dbraw/zinc/61/00/93/351610093.db2.gz LPGCFLAOZHAFCK-QWHCGFSZSA-N 1 2 290.319 0.545 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 ZINC000122135437 187017192 /nfs/dbraw/zinc/01/71/92/187017192.db2.gz SZXKIWCBHBGFNL-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 ZINC000122135437 187017193 /nfs/dbraw/zinc/01/71/93/187017193.db2.gz SZXKIWCBHBGFNL-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO CC(C)(CNC(=O)c1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000195023389 351893544 /nfs/dbraw/zinc/89/35/44/351893544.db2.gz WWKCLGKIDDNTNV-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234327484 352156990 /nfs/dbraw/zinc/15/69/90/352156990.db2.gz CEXNXWBHGNJQGU-SECBINFHSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234327484 352156992 /nfs/dbraw/zinc/15/69/92/352156992.db2.gz CEXNXWBHGNJQGU-SECBINFHSA-N 1 2 277.284 0.604 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000249412949 352490298 /nfs/dbraw/zinc/49/02/98/352490298.db2.gz YHVKGHDWBPZRQF-GXFFZTMASA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000249412949 352490302 /nfs/dbraw/zinc/49/03/02/352490302.db2.gz YHVKGHDWBPZRQF-GXFFZTMASA-N 1 2 259.309 0.805 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265647228 352653153 /nfs/dbraw/zinc/65/31/53/352653153.db2.gz MEMWVRUZCZKKAZ-LBPRGKRZSA-N 1 2 265.357 0.350 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265647228 352653157 /nfs/dbraw/zinc/65/31/57/352653157.db2.gz MEMWVRUZCZKKAZ-LBPRGKRZSA-N 1 2 265.357 0.350 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c(F)c1 ZINC000270662030 352964450 /nfs/dbraw/zinc/96/44/50/352964450.db2.gz QTCNVDUUSZYMDB-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(F)c1 ZINC000270662030 352964453 /nfs/dbraw/zinc/96/44/53/352964453.db2.gz QTCNVDUUSZYMDB-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO Cn1nncc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000271057479 353018606 /nfs/dbraw/zinc/01/86/06/353018606.db2.gz UNXUXXCRXLRNEM-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO CCOC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292272764 198226131 /nfs/dbraw/zinc/22/61/31/198226131.db2.gz SITCEMIDWGZFLF-LBPRGKRZSA-N 1 2 275.308 0.969 20 30 CCEDLO CCOC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292272764 198226133 /nfs/dbraw/zinc/22/61/33/198226133.db2.gz SITCEMIDWGZFLF-LBPRGKRZSA-N 1 2 275.308 0.969 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](CCO)CCCO)c(C#N)c1C ZINC000155731300 188224330 /nfs/dbraw/zinc/22/43/30/188224330.db2.gz CPSACZYIKHZAAZ-UHFFFAOYSA-N 1 2 295.339 0.383 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](CCO)CCCO)c(C#N)c1C ZINC000155731300 188224331 /nfs/dbraw/zinc/22/43/31/188224331.db2.gz CPSACZYIKHZAAZ-UHFFFAOYSA-N 1 2 295.339 0.383 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH+]1CCOCC1 ZINC000156988712 188292243 /nfs/dbraw/zinc/29/22/43/188292243.db2.gz JJZAEFORGPIFIA-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000280636365 353372915 /nfs/dbraw/zinc/37/29/15/353372915.db2.gz UMGQRTZJPPKGIO-SNVBAGLBSA-N 1 2 277.324 0.910 20 30 CCEDLO N#Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccn1 ZINC000283688423 353523348 /nfs/dbraw/zinc/52/33/48/353523348.db2.gz YLLDUKVRRQTFCF-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nccnc1C#N ZINC000286278353 353574107 /nfs/dbraw/zinc/57/41/07/353574107.db2.gz HWDFTTAPBPGECD-NEPJUHHUSA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290181306 353713244 /nfs/dbraw/zinc/71/32/44/353713244.db2.gz FIQGKBZZZYNHIA-CYBMUJFWSA-N 1 2 295.364 0.184 20 30 CCEDLO C[C@@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290181306 353713245 /nfs/dbraw/zinc/71/32/45/353713245.db2.gz FIQGKBZZZYNHIA-CYBMUJFWSA-N 1 2 295.364 0.184 20 30 CCEDLO C=CC[N@@H+](Cc1cn(CC(=O)OC)nn1)C1CC1 ZINC000295431663 353893807 /nfs/dbraw/zinc/89/38/07/353893807.db2.gz OTUDKZKBKIVBKG-UHFFFAOYSA-N 1 2 250.302 0.602 20 30 CCEDLO C=CC[N@H+](Cc1cn(CC(=O)OC)nn1)C1CC1 ZINC000295431663 353893811 /nfs/dbraw/zinc/89/38/11/353893811.db2.gz OTUDKZKBKIVBKG-UHFFFAOYSA-N 1 2 250.302 0.602 20 30 CCEDLO N#Cc1cccc(C#N)c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000302905508 354091908 /nfs/dbraw/zinc/09/19/08/354091908.db2.gz VWRMTGJDRGDXEU-AWEZNQCLSA-N 1 2 267.336 0.842 20 30 CCEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000309375235 354186294 /nfs/dbraw/zinc/18/62/94/354186294.db2.gz RDKVNWFKNKNNLC-ZETCQYMHSA-N 1 2 259.356 0.645 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000329609565 354258494 /nfs/dbraw/zinc/25/84/94/354258494.db2.gz JBKMZBNUWCMHFO-GZBFAFLISA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000329609565 354258496 /nfs/dbraw/zinc/25/84/96/354258496.db2.gz JBKMZBNUWCMHFO-GZBFAFLISA-N 1 2 297.399 0.730 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCOCC1 ZINC000329743004 354259908 /nfs/dbraw/zinc/25/99/08/354259908.db2.gz PULWEZQILMAKKA-SNVBAGLBSA-N 1 2 264.329 0.903 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCOCC1 ZINC000329743004 354259910 /nfs/dbraw/zinc/25/99/10/354259910.db2.gz PULWEZQILMAKKA-SNVBAGLBSA-N 1 2 264.329 0.903 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000331541355 354602019 /nfs/dbraw/zinc/60/20/19/354602019.db2.gz OJCZBNQOWPATNE-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000331541355 354602021 /nfs/dbraw/zinc/60/20/21/354602021.db2.gz OJCZBNQOWPATNE-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000558166583 291050720 /nfs/dbraw/zinc/05/07/20/291050720.db2.gz MQDLMCKUZHLUHF-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000558166583 291050721 /nfs/dbraw/zinc/05/07/21/291050721.db2.gz MQDLMCKUZHLUHF-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)n1cnc(C#N)n1 ZINC000337004990 355245856 /nfs/dbraw/zinc/24/58/56/355245856.db2.gz ZDKJTMGLIQSFCZ-SNVBAGLBSA-N 1 2 295.306 0.675 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@@H](C)C#N ZINC000338153658 355310824 /nfs/dbraw/zinc/31/08/24/355310824.db2.gz JDMJPDDAWRYWPC-NSHDSACASA-N 1 2 268.361 0.061 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@@H](C)C#N ZINC000338153658 355310826 /nfs/dbraw/zinc/31/08/26/355310826.db2.gz JDMJPDDAWRYWPC-NSHDSACASA-N 1 2 268.361 0.061 20 30 CCEDLO COC[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C(=O)OC ZINC000342797572 355748342 /nfs/dbraw/zinc/74/83/42/355748342.db2.gz PXQCPDXPWVBFQV-LBPRGKRZSA-N 1 2 288.307 0.484 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343358134 355768702 /nfs/dbraw/zinc/76/87/02/355768702.db2.gz KYBIVLDTLYFJHA-OCCSQVGLSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343358134 355768709 /nfs/dbraw/zinc/76/87/09/355768709.db2.gz KYBIVLDTLYFJHA-OCCSQVGLSA-N 1 2 268.357 0.293 20 30 CCEDLO C[C@@H]1C[NH+](CCN(C)C(=O)CSCC#N)C[C@@H](C)O1 ZINC000345375593 355809248 /nfs/dbraw/zinc/80/92/48/355809248.db2.gz DXQJPKMDSQIPEM-VXGBXAGGSA-N 1 2 285.413 0.811 20 30 CCEDLO CN1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1=O ZINC000353737271 356283792 /nfs/dbraw/zinc/28/37/92/356283792.db2.gz HUKFOMGDPFUHQO-CYBMUJFWSA-N 1 2 283.335 0.868 20 30 CCEDLO CN1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1=O ZINC000353737271 356283793 /nfs/dbraw/zinc/28/37/93/356283793.db2.gz HUKFOMGDPFUHQO-CYBMUJFWSA-N 1 2 283.335 0.868 20 30 CCEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000354663640 356468066 /nfs/dbraw/zinc/46/80/66/356468066.db2.gz WZWJMCSNOPJNAB-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nnnn1C ZINC000354993365 356545605 /nfs/dbraw/zinc/54/56/05/356545605.db2.gz OIZYCUDNZUBJDH-UHFFFAOYSA-N 1 2 282.311 0.361 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000609485114 363498868 /nfs/dbraw/zinc/49/88/68/363498868.db2.gz JIYOFIUWSUTSRI-CQSZACIVSA-N 1 2 278.400 0.775 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486421 363499064 /nfs/dbraw/zinc/49/90/64/363499064.db2.gz KEGCGDXYSYJTCG-ZIAGYGMSSA-N 1 2 278.400 0.843 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000609661865 363513975 /nfs/dbraw/zinc/51/39/75/363513975.db2.gz XQLNVUMLLGJZCP-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000609661865 363513980 /nfs/dbraw/zinc/51/39/80/363513980.db2.gz XQLNVUMLLGJZCP-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)OC ZINC000619702489 366326165 /nfs/dbraw/zinc/32/61/65/366326165.db2.gz NOXJYOUCRDQLJU-BHDSKKPTSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000619719970 366341656 /nfs/dbraw/zinc/34/16/56/366341656.db2.gz PVCVMPXXBNACLV-NSHDSACASA-N 1 2 277.328 0.286 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000619719970 366341658 /nfs/dbraw/zinc/34/16/58/366341658.db2.gz PVCVMPXXBNACLV-NSHDSACASA-N 1 2 277.328 0.286 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000610487741 363566064 /nfs/dbraw/zinc/56/60/64/363566064.db2.gz UBXAWWRYNDWBJI-CYBMUJFWSA-N 1 2 263.345 0.896 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000610487741 363566068 /nfs/dbraw/zinc/56/60/68/363566068.db2.gz UBXAWWRYNDWBJI-CYBMUJFWSA-N 1 2 263.345 0.896 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@]2(CCCOC2)O1 ZINC000361608612 357049990 /nfs/dbraw/zinc/04/99/90/357049990.db2.gz GNJMNBVAGJJCBE-AWEZNQCLSA-N 1 2 281.356 0.286 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@]2(CCCOC2)O1 ZINC000361608612 357049993 /nfs/dbraw/zinc/04/99/93/357049993.db2.gz GNJMNBVAGJJCBE-AWEZNQCLSA-N 1 2 281.356 0.286 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000378030462 357642020 /nfs/dbraw/zinc/64/20/20/357642020.db2.gz STFKZOWSWJOYBC-UHFFFAOYSA-N 1 2 295.302 0.736 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2nccc(C#N)n2)C1 ZINC000400790478 357795499 /nfs/dbraw/zinc/79/54/99/357795499.db2.gz UBEFPAWCRSGGSD-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2nccc(C#N)n2)C1 ZINC000400790478 357795502 /nfs/dbraw/zinc/79/55/02/357795502.db2.gz UBEFPAWCRSGGSD-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OCC)no2)CC1 ZINC000294531893 199074418 /nfs/dbraw/zinc/07/44/18/199074418.db2.gz LMHNWKBUXZXKGI-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000450556600 358255722 /nfs/dbraw/zinc/25/57/22/358255722.db2.gz MPRFVNVEYTXTMX-NEPJUHHUSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000450556600 358255723 /nfs/dbraw/zinc/25/57/23/358255723.db2.gz MPRFVNVEYTXTMX-NEPJUHHUSA-N 1 2 261.387 0.823 20 30 CCEDLO COC(=O)CN(CC[NH+]1CCOCC1)CC1(C#N)CCC1 ZINC000450419873 358255734 /nfs/dbraw/zinc/25/57/34/358255734.db2.gz PHFJXVSSJHDPNR-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO N#Cc1nc(NC(=O)CC[C@@H]2CC[NH2+]C2)[nH]c1C#N ZINC000568863926 358711070 /nfs/dbraw/zinc/71/10/70/358711070.db2.gz MCAPCWNJMYZKBG-MRVPVSSYSA-N 1 2 258.285 0.481 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000573402119 358964675 /nfs/dbraw/zinc/96/46/75/358964675.db2.gz CCYHYHXFJOPIJK-OCCSQVGLSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000573402119 358964680 /nfs/dbraw/zinc/96/46/80/358964680.db2.gz CCYHYHXFJOPIJK-OCCSQVGLSA-N 1 2 289.335 0.172 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000571839898 358925664 /nfs/dbraw/zinc/92/56/64/358925664.db2.gz QINQSZPZPZQLKG-UHFFFAOYSA-N 1 2 277.368 0.907 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000610843420 363621159 /nfs/dbraw/zinc/62/11/59/363621159.db2.gz NWPFLDFXBHNAOS-QWHCGFSZSA-N 1 2 264.373 0.431 20 30 CCEDLO CC(C)(C)c1nc(NCCn2cnc(C#N)n2)cc[nH+]1 ZINC000588075363 359311188 /nfs/dbraw/zinc/31/11/88/359311188.db2.gz QYQKJKIWTPQBOU-UHFFFAOYSA-N 1 2 271.328 0.771 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C#N)ccn1 ZINC000588281081 359320685 /nfs/dbraw/zinc/32/06/85/359320685.db2.gz TXGQNDQMUZCWFQ-UHFFFAOYSA-N 1 2 255.281 0.959 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC000588820283 359340003 /nfs/dbraw/zinc/34/00/03/359340003.db2.gz QEMLRESFEJMRNZ-UHFFFAOYSA-N 1 2 267.252 0.436 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000590187414 359429008 /nfs/dbraw/zinc/42/90/08/359429008.db2.gz RCPSSXJXUUAYEP-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000590187414 359429013 /nfs/dbraw/zinc/42/90/13/359429013.db2.gz RCPSSXJXUUAYEP-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO CC(C)(C(=O)N=c1ccn(CCC#N)[nH]1)c1c[nH+]c[nH]1 ZINC000590440383 359464592 /nfs/dbraw/zinc/46/45/92/359464592.db2.gz QUXMIGNAHOGHOY-UHFFFAOYSA-N 1 2 272.312 0.858 20 30 CCEDLO CC(C)(C(=O)N=c1ccn(CCC#N)[nH]1)c1c[nH]c[nH+]1 ZINC000590440383 359464597 /nfs/dbraw/zinc/46/45/97/359464597.db2.gz QUXMIGNAHOGHOY-UHFFFAOYSA-N 1 2 272.312 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000590600299 359496010 /nfs/dbraw/zinc/49/60/10/359496010.db2.gz UFESAMBSLQZGHG-UHFFFAOYSA-N 1 2 261.329 0.461 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)N1CCc2[nH+]c[nH]c2C1 ZINC000590602925 359498096 /nfs/dbraw/zinc/49/80/96/359498096.db2.gz YGXHJYMAGVCVKS-SNVBAGLBSA-N 1 2 261.329 0.528 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000590688523 359508382 /nfs/dbraw/zinc/50/83/82/359508382.db2.gz JXVSOTUSTMPGKL-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000590688523 359508384 /nfs/dbraw/zinc/50/83/84/359508384.db2.gz JXVSOTUSTMPGKL-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO Cc1cc(NCCCc2ncn(C)n2)c(C#N)c[nH+]1 ZINC000591966785 359714664 /nfs/dbraw/zinc/71/46/64/359714664.db2.gz FFZFZSVFXQQDDU-UHFFFAOYSA-N 1 2 256.313 0.857 20 30 CCEDLO N#Cc1cnc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000297375936 200168043 /nfs/dbraw/zinc/16/80/43/200168043.db2.gz DAFGOAJNQSFGRM-NSHDSACASA-N 1 2 288.311 0.273 20 30 CCEDLO COC(=O)[C@H]([N@@H+]1CC[C@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155069 359771704 /nfs/dbraw/zinc/77/17/04/359771704.db2.gz XFVJTNDZXUZDJO-WCQYABFASA-N 1 2 282.340 0.448 20 30 CCEDLO COC(=O)[C@H]([N@H+]1CC[C@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155069 359771709 /nfs/dbraw/zinc/77/17/09/359771709.db2.gz XFVJTNDZXUZDJO-WCQYABFASA-N 1 2 282.340 0.448 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592153195 359771741 /nfs/dbraw/zinc/77/17/41/359771741.db2.gz KLRIAEDGRPBGPT-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592153195 359771743 /nfs/dbraw/zinc/77/17/43/359771743.db2.gz KLRIAEDGRPBGPT-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000592148950 359767401 /nfs/dbraw/zinc/76/74/01/359767401.db2.gz FUIUHQNOTCPKRW-HNNXBMFYSA-N 1 2 277.368 0.642 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000592148950 359767405 /nfs/dbraw/zinc/76/74/05/359767405.db2.gz FUIUHQNOTCPKRW-HNNXBMFYSA-N 1 2 277.368 0.642 20 30 CCEDLO N#Cc1nc(NC(=O)[C@H]2CC23CC[NH2+]CC3)[nH]c1C#N ZINC000592259111 359806067 /nfs/dbraw/zinc/80/60/67/359806067.db2.gz DBGDLCWLFGUTMR-MRVPVSSYSA-N 1 2 270.296 0.481 20 30 CCEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176321 363672708 /nfs/dbraw/zinc/67/27/08/363672708.db2.gz ZKZYWDQSDXWNGG-STQMWFEESA-N 1 2 266.389 0.821 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000611175458 363672714 /nfs/dbraw/zinc/67/27/14/363672714.db2.gz CPXUPULIAISPAC-OKILXGFUSA-N 1 2 294.399 0.153 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175110 363672742 /nfs/dbraw/zinc/67/27/42/363672742.db2.gz TXQGUDFMMDJPCH-UHFFFAOYSA-N 1 2 277.372 0.280 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCSC1 ZINC000592947117 359992438 /nfs/dbraw/zinc/99/24/38/359992438.db2.gz QWAKEOFUTOIMOL-MFKMUULPSA-N 1 2 276.365 0.961 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C#N)nc1 ZINC000593154441 360048330 /nfs/dbraw/zinc/04/83/30/360048330.db2.gz KCIAOQODDMZTCE-CYBMUJFWSA-N 1 2 257.297 0.527 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000593060944 360024145 /nfs/dbraw/zinc/02/41/45/360024145.db2.gz KLQHZLFKMVMENE-WDEREUQCSA-N 1 2 295.364 0.640 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000593060944 360024150 /nfs/dbraw/zinc/02/41/50/360024150.db2.gz KLQHZLFKMVMENE-WDEREUQCSA-N 1 2 295.364 0.640 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000593063330 360024158 /nfs/dbraw/zinc/02/41/58/360024158.db2.gz LTBXCHGGZKWWMY-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000593063330 360024163 /nfs/dbraw/zinc/02/41/63/360024163.db2.gz LTBXCHGGZKWWMY-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000593060531 360024175 /nfs/dbraw/zinc/02/41/75/360024175.db2.gz ADHFWBYSSQNGCU-UONOGXRCSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000593060531 360024179 /nfs/dbraw/zinc/02/41/79/360024179.db2.gz ADHFWBYSSQNGCU-UONOGXRCSA-N 1 2 289.335 0.578 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CC(=O)N2 ZINC000593338731 360067459 /nfs/dbraw/zinc/06/74/59/360067459.db2.gz DKEIWHRLKQYIBA-LBPRGKRZSA-N 1 2 289.335 0.766 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CC(=O)N2 ZINC000593338731 360067464 /nfs/dbraw/zinc/06/74/64/360067464.db2.gz DKEIWHRLKQYIBA-LBPRGKRZSA-N 1 2 289.335 0.766 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501746 363727143 /nfs/dbraw/zinc/72/71/43/363727143.db2.gz HWNVWUIHZPIQGP-UWVGGRQHSA-N 1 2 257.309 0.678 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501746 363727149 /nfs/dbraw/zinc/72/71/49/363727149.db2.gz HWNVWUIHZPIQGP-UWVGGRQHSA-N 1 2 257.309 0.678 20 30 CCEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000595132089 360441696 /nfs/dbraw/zinc/44/16/96/360441696.db2.gz RPYFXWKTSLAZPK-HNNXBMFYSA-N 1 2 290.367 0.055 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177849023 189074133 /nfs/dbraw/zinc/07/41/33/189074133.db2.gz POALQLSDSPQTSY-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595391172 360516188 /nfs/dbraw/zinc/51/61/88/360516188.db2.gz FVLSITHRFSMHGM-RRFJBIMHSA-N 1 2 290.411 0.965 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COCCO1 ZINC000595743188 360635438 /nfs/dbraw/zinc/63/54/38/360635438.db2.gz QYUJYCLPOOWYTG-CQSZACIVSA-N 1 2 289.335 0.844 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COCCO1 ZINC000595743188 360635442 /nfs/dbraw/zinc/63/54/42/360635442.db2.gz QYUJYCLPOOWYTG-CQSZACIVSA-N 1 2 289.335 0.844 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@@H+]2CCOCCC#N ZINC000595862468 360681984 /nfs/dbraw/zinc/68/19/84/360681984.db2.gz CAJHRLXSSORLDA-UHFFFAOYSA-N 1 2 252.314 0.944 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@H+]2CCOCCC#N ZINC000595862468 360681990 /nfs/dbraw/zinc/68/19/90/360681990.db2.gz CAJHRLXSSORLDA-UHFFFAOYSA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840821 360676344 /nfs/dbraw/zinc/67/63/44/360676344.db2.gz GBPWZDNUEGDXIR-DOMZBBRYSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840821 360676350 /nfs/dbraw/zinc/67/63/50/360676350.db2.gz GBPWZDNUEGDXIR-DOMZBBRYSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840689 360676535 /nfs/dbraw/zinc/67/65/35/360676535.db2.gz CLNRQVPTUCZQSC-RISCZKNCSA-N 1 2 279.340 0.386 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840689 360676541 /nfs/dbraw/zinc/67/65/41/360676541.db2.gz CLNRQVPTUCZQSC-RISCZKNCSA-N 1 2 279.340 0.386 20 30 CCEDLO N#Cc1cnnc(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000596065304 360785006 /nfs/dbraw/zinc/78/50/06/360785006.db2.gz PZGSSHLFSABEAN-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000299381726 200703469 /nfs/dbraw/zinc/70/34/69/200703469.db2.gz SQZLPNNELJVROB-CYBMUJFWSA-N 1 2 290.363 0.355 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnn2C)[C@@H](C)CO1 ZINC000596433351 360894026 /nfs/dbraw/zinc/89/40/26/360894026.db2.gz UQWFUYISRUWLQV-WDEREUQCSA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnn2C)[C@@H](C)CO1 ZINC000596433351 360894031 /nfs/dbraw/zinc/89/40/31/360894031.db2.gz UQWFUYISRUWLQV-WDEREUQCSA-N 1 2 263.345 0.813 20 30 CCEDLO N#Cc1cnnc(N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000596515931 360913779 /nfs/dbraw/zinc/91/37/79/360913779.db2.gz ROFLNYTZRDVEEV-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596426552 360891414 /nfs/dbraw/zinc/89/14/14/360891414.db2.gz BQYSBZBHEHEVNQ-VXGBXAGGSA-N 1 2 275.356 0.600 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596426552 360891415 /nfs/dbraw/zinc/89/14/15/360891415.db2.gz BQYSBZBHEHEVNQ-VXGBXAGGSA-N 1 2 275.356 0.600 20 30 CCEDLO C[C@H](CC#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000597130502 361011759 /nfs/dbraw/zinc/01/17/59/361011759.db2.gz SYXAUCRBQCGYPM-GFCCVEGCSA-N 1 2 291.355 0.704 20 30 CCEDLO C=CCOc1cccc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000179833362 189222977 /nfs/dbraw/zinc/22/29/77/189222977.db2.gz QMFDXJWHJIKGPX-UHFFFAOYSA-N 1 2 289.379 0.854 20 30 CCEDLO Cc1cn2c([nH+]1)CN(C(=O)N=c1ccn(CCC#N)[nH]1)CC2 ZINC000611821146 363788893 /nfs/dbraw/zinc/78/88/93/363788893.db2.gz LSHWYEMDGYKBTO-UHFFFAOYSA-N 1 2 299.338 0.771 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000598585817 361448195 /nfs/dbraw/zinc/44/81/95/361448195.db2.gz BENLYVBBXIKEHP-UHFFFAOYSA-N 1 2 267.354 0.539 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000598585817 361448201 /nfs/dbraw/zinc/44/82/01/361448201.db2.gz BENLYVBBXIKEHP-UHFFFAOYSA-N 1 2 267.354 0.539 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598596121 361453599 /nfs/dbraw/zinc/45/35/99/361453599.db2.gz QWZYQEOAPBXDHG-NWDGAFQWSA-N 1 2 284.356 0.551 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598596121 361453602 /nfs/dbraw/zinc/45/36/02/361453602.db2.gz QWZYQEOAPBXDHG-NWDGAFQWSA-N 1 2 284.356 0.551 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599068069 361564248 /nfs/dbraw/zinc/56/42/48/361564248.db2.gz BPACNBNFCYDNKH-AVGNSLFASA-N 1 2 280.372 0.699 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599068069 361564254 /nfs/dbraw/zinc/56/42/54/361564254.db2.gz BPACNBNFCYDNKH-AVGNSLFASA-N 1 2 280.372 0.699 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCC#N ZINC000598983348 361545874 /nfs/dbraw/zinc/54/58/74/361545874.db2.gz GUSQJZYFWCELNT-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCC#N ZINC000598983348 361545876 /nfs/dbraw/zinc/54/58/76/361545876.db2.gz GUSQJZYFWCELNT-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)CC1(O)CCC1 ZINC000599308232 361646862 /nfs/dbraw/zinc/64/68/62/361646862.db2.gz RJRFWBBOIBEDSN-GFCCVEGCSA-N 1 2 256.346 0.514 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)CC1(O)CCC1 ZINC000599308232 361646867 /nfs/dbraw/zinc/64/68/67/361646867.db2.gz RJRFWBBOIBEDSN-GFCCVEGCSA-N 1 2 256.346 0.514 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167687 363858402 /nfs/dbraw/zinc/85/84/02/363858402.db2.gz UPEDBIBCCPFROV-JOYOIKCWSA-N 1 2 252.318 0.456 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167687 363858405 /nfs/dbraw/zinc/85/84/05/363858405.db2.gz UPEDBIBCCPFROV-JOYOIKCWSA-N 1 2 252.318 0.456 20 30 CCEDLO COC(=O)c1cn([C@H]2CC[N@H+](CC3(C#N)CC3)C2)nn1 ZINC000612827195 364018610 /nfs/dbraw/zinc/01/86/10/364018610.db2.gz ZLRYMUZDUQRYQX-JTQLQIEISA-N 1 2 275.312 0.615 20 30 CCEDLO COC(=O)c1cn([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)nn1 ZINC000612827195 364018617 /nfs/dbraw/zinc/01/86/17/364018617.db2.gz ZLRYMUZDUQRYQX-JTQLQIEISA-N 1 2 275.312 0.615 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)N1CCCC1 ZINC000613244345 364177863 /nfs/dbraw/zinc/17/78/63/364177863.db2.gz SYMIRYWMPRHHPJ-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)N1CCCC1 ZINC000613244345 364177865 /nfs/dbraw/zinc/17/78/65/364177865.db2.gz SYMIRYWMPRHHPJ-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000614178066 364522530 /nfs/dbraw/zinc/52/25/30/364522530.db2.gz JIFFITQVJUDEJK-AAEUAGOBSA-N 1 2 256.346 0.103 20 30 CCEDLO N#C[C@@]1(F)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000615646041 365035784 /nfs/dbraw/zinc/03/57/84/365035784.db2.gz PPRHYFWBRVRSDR-XQQFMLRXSA-N 1 2 253.321 0.787 20 30 CCEDLO N#C[C@@]1(F)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000615646041 365035786 /nfs/dbraw/zinc/03/57/86/365035786.db2.gz PPRHYFWBRVRSDR-XQQFMLRXSA-N 1 2 253.321 0.787 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn[nH]c1 ZINC000615791233 365091573 /nfs/dbraw/zinc/09/15/73/365091573.db2.gz SLWXNBQVIIWCHX-JTQLQIEISA-N 1 2 261.329 0.792 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000615791233 365091575 /nfs/dbraw/zinc/09/15/75/365091575.db2.gz SLWXNBQVIIWCHX-JTQLQIEISA-N 1 2 261.329 0.792 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616100422 365177690 /nfs/dbraw/zinc/17/76/90/365177690.db2.gz IVWYENOVDRSUKF-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000623394025 367554010 /nfs/dbraw/zinc/55/40/10/367554010.db2.gz WWJKCMSEKXCYKF-ZDUSSCGKSA-N 1 2 267.373 0.926 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC000623298728 367521906 /nfs/dbraw/zinc/52/19/06/367521906.db2.gz IRYZNEIYHVCCFI-NSHDSACASA-N 1 2 286.339 0.796 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623990682 367717084 /nfs/dbraw/zinc/71/70/84/367717084.db2.gz JPBLLFDLDBOANK-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623990682 367717089 /nfs/dbraw/zinc/71/70/89/367717089.db2.gz JPBLLFDLDBOANK-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623986242 367717621 /nfs/dbraw/zinc/71/76/21/367717621.db2.gz QOWJRQMRFJQNDH-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623986242 367717629 /nfs/dbraw/zinc/71/76/29/367717629.db2.gz QOWJRQMRFJQNDH-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081303 368432036 /nfs/dbraw/zinc/43/20/36/368432036.db2.gz BOPNNQGIVNRLIR-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081303 368432042 /nfs/dbraw/zinc/43/20/42/368432042.db2.gz BOPNNQGIVNRLIR-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081301 368433078 /nfs/dbraw/zinc/43/30/78/368433078.db2.gz BOPNNQGIVNRLIR-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081301 368433081 /nfs/dbraw/zinc/43/30/81/368433081.db2.gz BOPNNQGIVNRLIR-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626171478 368472036 /nfs/dbraw/zinc/47/20/36/368472036.db2.gz CFHCPPXQWINOJD-WCQYABFASA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626171478 368472041 /nfs/dbraw/zinc/47/20/41/368472041.db2.gz CFHCPPXQWINOJD-WCQYABFASA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000626844778 368659642 /nfs/dbraw/zinc/65/96/42/368659642.db2.gz RSHFTPDVIYJGGI-JTQLQIEISA-N 1 2 274.324 0.857 20 30 CCEDLO C=CCN(Cc1[nH]cc(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000628152252 369194700 /nfs/dbraw/zinc/19/47/00/369194700.db2.gz SNHKQOOWVKMZCL-NSHDSACASA-N 1 2 269.370 0.893 20 30 CCEDLO C=C[C@@H](O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628824775 369409362 /nfs/dbraw/zinc/40/93/62/369409362.db2.gz MQGLTHCMPBKFKB-LLVKDONJSA-N 1 2 278.356 0.405 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)ccc1F ZINC000330947619 203409321 /nfs/dbraw/zinc/40/93/21/203409321.db2.gz GGIFZAXVXXMGPY-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)ccc1F ZINC000330947619 203409323 /nfs/dbraw/zinc/40/93/23/203409323.db2.gz GGIFZAXVXXMGPY-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248978328 261228038 /nfs/dbraw/zinc/22/80/38/261228038.db2.gz IGGIMXAXSVIAMF-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000630962201 370341837 /nfs/dbraw/zinc/34/18/37/370341837.db2.gz AZUBXNIGAHQBPM-LBPRGKRZSA-N 1 2 281.356 0.595 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632409790 371045038 /nfs/dbraw/zinc/04/50/38/371045038.db2.gz JWJWQLRTONKBLK-NSHDSACASA-N 1 2 276.402 0.449 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632409790 371045041 /nfs/dbraw/zinc/04/50/41/371045041.db2.gz JWJWQLRTONKBLK-NSHDSACASA-N 1 2 276.402 0.449 20 30 CCEDLO C=CC(C)(C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632589715 371166262 /nfs/dbraw/zinc/16/62/62/371166262.db2.gz WDJFTGAOPUKKBX-GFCCVEGCSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CC(C)(C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632589715 371166270 /nfs/dbraw/zinc/16/62/70/371166270.db2.gz WDJFTGAOPUKKBX-GFCCVEGCSA-N 1 2 290.429 0.839 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)C(C)(C)C1 ZINC000289537603 197394905 /nfs/dbraw/zinc/39/49/05/197394905.db2.gz SQOLGOBDDTWRDI-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)C(C)(C)C1 ZINC000289537603 197394907 /nfs/dbraw/zinc/39/49/07/197394907.db2.gz SQOLGOBDDTWRDI-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000637444718 374169151 /nfs/dbraw/zinc/16/91/51/374169151.db2.gz UWSJKFDVXYXSLY-GFCCVEGCSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000637444718 374169162 /nfs/dbraw/zinc/16/91/62/374169162.db2.gz UWSJKFDVXYXSLY-GFCCVEGCSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638408279 375005366 /nfs/dbraw/zinc/00/53/66/375005366.db2.gz GBJNWVQOOJURPI-CHWSQXEVSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC(C)(C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638454242 375058730 /nfs/dbraw/zinc/05/87/30/375058730.db2.gz DZTJFBYIQMIPQX-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCC(C)C)nn1 ZINC000640885158 376598462 /nfs/dbraw/zinc/59/84/62/376598462.db2.gz HABQIIOGQFFGCG-GFCCVEGCSA-N 1 2 277.372 0.724 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000641106258 376786124 /nfs/dbraw/zinc/78/61/24/376786124.db2.gz DUMUYIZPVYQOCN-ZDUSSCGKSA-N 1 2 289.383 0.963 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)C(F)(F)F)nn1 ZINC000641211953 376889849 /nfs/dbraw/zinc/88/98/49/376889849.db2.gz UCJGVWDIIYRELP-VIFPVBQESA-N 1 2 262.235 0.314 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641542890 377245243 /nfs/dbraw/zinc/24/52/43/377245243.db2.gz MQRXOYLIGXPUIM-RYUDHWBXSA-N 1 2 285.369 0.394 20 30 CCEDLO N#Cc1nccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000569473121 291682260 /nfs/dbraw/zinc/68/22/60/291682260.db2.gz VDUCBWDVCDHVSL-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cnc(C#N)cn1 ZINC000278613258 194069221 /nfs/dbraw/zinc/06/92/21/194069221.db2.gz GBHZDWJVMORSQV-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO C#Cc1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC000278995900 194244952 /nfs/dbraw/zinc/24/49/52/194244952.db2.gz QQNHIXRXXGNQHJ-UHFFFAOYSA-N 1 2 278.377 0.745 20 30 CCEDLO Cc1nc(N2CCN(c3ccc(C#N)c(N)n3)CC2)cc[nH+]1 ZINC000570739063 291779143 /nfs/dbraw/zinc/77/91/43/291779143.db2.gz JOKFQBGUFXBBTO-UHFFFAOYSA-N 1 2 295.350 0.961 20 30 CCEDLO N#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)nc1N ZINC000571700852 291832556 /nfs/dbraw/zinc/83/25/56/291832556.db2.gz AJYHNYSUSCEXJQ-UHFFFAOYSA-N 1 2 273.340 0.234 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000269334437 533052979 /nfs/dbraw/zinc/05/29/79/533052979.db2.gz YSDPIPMQWFAGDH-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO C[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000330308578 533188017 /nfs/dbraw/zinc/18/80/17/533188017.db2.gz MHZFZDZBFUOQND-JTQLQIEISA-N 1 2 281.356 0.284 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000283838956 388770709 /nfs/dbraw/zinc/77/07/09/388770709.db2.gz HCVBQUCTZLXOPS-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000284580403 388780826 /nfs/dbraw/zinc/78/08/26/388780826.db2.gz WPILIQYTHSRURZ-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000025865901 388817598 /nfs/dbraw/zinc/81/75/98/388817598.db2.gz ITRKUDTVWKEYCZ-CQSZACIVSA-N 1 2 276.336 0.825 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000291053777 388916438 /nfs/dbraw/zinc/91/64/38/388916438.db2.gz DYNRORXOJRAZHE-RYUDHWBXSA-N 1 2 278.356 0.644 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000291053777 388916444 /nfs/dbraw/zinc/91/64/44/388916444.db2.gz DYNRORXOJRAZHE-RYUDHWBXSA-N 1 2 278.356 0.644 20 30 CCEDLO CC[N@@H+](CC(=O)NC1CCOCC1)C[C@H](C)C#N ZINC000062768921 388939885 /nfs/dbraw/zinc/93/98/85/388939885.db2.gz ALMHOEXDJZPJEZ-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC1CCOCC1)C[C@H](C)C#N ZINC000062768921 388939888 /nfs/dbraw/zinc/93/98/88/388939888.db2.gz ALMHOEXDJZPJEZ-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000293601628 388985426 /nfs/dbraw/zinc/98/54/26/388985426.db2.gz XVUXCYSXQYVDOX-VIFPVBQESA-N 1 2 287.266 0.821 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000293601628 388985427 /nfs/dbraw/zinc/98/54/27/388985427.db2.gz XVUXCYSXQYVDOX-VIFPVBQESA-N 1 2 287.266 0.821 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000076185919 388985874 /nfs/dbraw/zinc/98/58/74/388985874.db2.gz LECGUCSJJHHCLU-UONOGXRCSA-N 1 2 289.379 0.959 20 30 CCEDLO C#CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000297834474 389012747 /nfs/dbraw/zinc/01/27/47/389012747.db2.gz MNNRIXWWCAJZOY-OAHLLOKOSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000297834474 389012751 /nfs/dbraw/zinc/01/27/51/389012751.db2.gz MNNRIXWWCAJZOY-OAHLLOKOSA-N 1 2 299.374 0.593 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000337776511 389067621 /nfs/dbraw/zinc/06/76/21/389067621.db2.gz QJFODOWWQQJBRT-IJLUTSLNSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000337776511 389067623 /nfs/dbraw/zinc/06/76/23/389067623.db2.gz QJFODOWWQQJBRT-IJLUTSLNSA-N 1 2 288.417 0.490 20 30 CCEDLO CC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000304711135 389083169 /nfs/dbraw/zinc/08/31/69/389083169.db2.gz LZGZUPMYRSIQIY-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO CC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000304711135 389083172 /nfs/dbraw/zinc/08/31/72/389083172.db2.gz LZGZUPMYRSIQIY-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO CC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000304711135 389083173 /nfs/dbraw/zinc/08/31/73/389083173.db2.gz LZGZUPMYRSIQIY-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000106302805 389090630 /nfs/dbraw/zinc/09/06/30/389090630.db2.gz BHHYKLCPXKIKEA-CYBMUJFWSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000106302805 389090633 /nfs/dbraw/zinc/09/06/33/389090633.db2.gz BHHYKLCPXKIKEA-CYBMUJFWSA-N 1 2 250.342 0.723 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000108855351 389099229 /nfs/dbraw/zinc/09/92/29/389099229.db2.gz YTYBQMLGLPUIKM-ZDUSSCGKSA-N 1 2 286.335 0.189 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000108855351 389099232 /nfs/dbraw/zinc/09/92/32/389099232.db2.gz YTYBQMLGLPUIKM-ZDUSSCGKSA-N 1 2 286.335 0.189 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758806 389099756 /nfs/dbraw/zinc/09/97/56/389099756.db2.gz KOUHAOSDRNAFJI-APPZFPTMSA-N 1 2 265.235 0.014 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758806 389099759 /nfs/dbraw/zinc/09/97/59/389099759.db2.gz KOUHAOSDRNAFJI-APPZFPTMSA-N 1 2 265.235 0.014 20 30 CCEDLO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)CCO ZINC000121339488 389147616 /nfs/dbraw/zinc/14/76/16/389147616.db2.gz CHLDOTHECTWOMT-UHFFFAOYSA-N 1 2 297.330 0.845 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121401991 389147812 /nfs/dbraw/zinc/14/78/12/389147812.db2.gz NTSSNUQIDJAIJF-VXGBXAGGSA-N 1 2 293.367 0.966 20 30 CCEDLO CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)CCO ZINC000121387008 389148086 /nfs/dbraw/zinc/14/80/86/389148086.db2.gz JNPBUPLHKIENHZ-UHFFFAOYSA-N 1 2 283.303 0.455 20 30 CCEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121402423 389148259 /nfs/dbraw/zinc/14/82/59/389148259.db2.gz WKDMPGLLMOFUNX-SNVBAGLBSA-N 1 2 265.313 0.993 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@H+](CCOCCC#N)[C@H]1C(=O)OC ZINC000339048441 389123359 /nfs/dbraw/zinc/12/33/59/389123359.db2.gz WKJGSSXTBQOTBS-VXGBXAGGSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOCCC#N)[C@H]1C(=O)OC ZINC000339048441 389123361 /nfs/dbraw/zinc/12/33/61/389123361.db2.gz WKJGSSXTBQOTBS-VXGBXAGGSA-N 1 2 298.339 0.343 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339243668 389128905 /nfs/dbraw/zinc/12/89/05/389128905.db2.gz LPFHXZWCFMQXLC-CYBMUJFWSA-N 1 2 278.356 0.882 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339243668 389128909 /nfs/dbraw/zinc/12/89/09/389128909.db2.gz LPFHXZWCFMQXLC-CYBMUJFWSA-N 1 2 278.356 0.882 20 30 CCEDLO C[C@H](CC#N)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000339268681 389129281 /nfs/dbraw/zinc/12/92/81/389129281.db2.gz BQOXVRAMRRTTAQ-GFCCVEGCSA-N 1 2 288.351 0.946 20 30 CCEDLO CC(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000328725500 389134339 /nfs/dbraw/zinc/13/43/39/389134339.db2.gz BJZJQBJAWKFMLR-UHFFFAOYSA-N 1 2 250.302 0.540 20 30 CCEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000121638271 389149644 /nfs/dbraw/zinc/14/96/44/389149644.db2.gz ISPNOPXUGHZZGY-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000121638271 389149647 /nfs/dbraw/zinc/14/96/47/389149647.db2.gz ISPNOPXUGHZZGY-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000357832896 389138925 /nfs/dbraw/zinc/13/89/25/389138925.db2.gz RCCIRQQIMSISOS-LLVKDONJSA-N 1 2 274.324 0.694 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000329676026 389186402 /nfs/dbraw/zinc/18/64/02/389186402.db2.gz PIXMMPKSTMNVSU-SECBINFHSA-N 1 2 290.327 0.378 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000329676026 389186405 /nfs/dbraw/zinc/18/64/05/389186405.db2.gz PIXMMPKSTMNVSU-SECBINFHSA-N 1 2 290.327 0.378 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CO)CC1 ZINC000329725770 389192723 /nfs/dbraw/zinc/19/27/23/389192723.db2.gz GJBBRTZWUOENJU-NSHDSACASA-N 1 2 278.356 0.885 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CO)CC1 ZINC000329725770 389192727 /nfs/dbraw/zinc/19/27/27/389192727.db2.gz GJBBRTZWUOENJU-NSHDSACASA-N 1 2 278.356 0.885 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360576505 389200747 /nfs/dbraw/zinc/20/07/47/389200747.db2.gz ONEQZSIQTJQNCQ-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342236853 389202519 /nfs/dbraw/zinc/20/25/19/389202519.db2.gz BITQIBBQOGFKOL-WOPDTQHZSA-N 1 2 251.330 0.468 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329804384 389203142 /nfs/dbraw/zinc/20/31/42/389203142.db2.gz ZYUAQBIDCGPLFC-WDEREUQCSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329804384 389203144 /nfs/dbraw/zinc/20/31/44/389203144.db2.gz ZYUAQBIDCGPLFC-WDEREUQCSA-N 1 2 277.328 0.345 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228948858 389155023 /nfs/dbraw/zinc/15/50/23/389155023.db2.gz GBTPVPJDGMJDSL-MNOVXSKESA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228948858 389155026 /nfs/dbraw/zinc/15/50/26/389155026.db2.gz GBTPVPJDGMJDSL-MNOVXSKESA-N 1 2 256.346 0.149 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCOC1 ZINC000329334884 389157322 /nfs/dbraw/zinc/15/73/22/389157322.db2.gz OGNWWNFPRSTWJO-WDEREUQCSA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(N[C@@H]1CCCOC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329334884 389157324 /nfs/dbraw/zinc/15/73/24/389157324.db2.gz OGNWWNFPRSTWJO-WDEREUQCSA-N 1 2 264.329 0.881 20 30 CCEDLO CN(C(=O)NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCC[C@H]1O ZINC000329379861 389160427 /nfs/dbraw/zinc/16/04/27/389160427.db2.gz NFQICJVIHNYPFN-CHWSQXEVSA-N 1 2 297.399 0.610 20 30 CCEDLO C=CCCOCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000124542622 389161555 /nfs/dbraw/zinc/16/15/55/389161555.db2.gz IXBXRIONTMIMGJ-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCCCNC2=O)C1 ZINC000329406190 389162126 /nfs/dbraw/zinc/16/21/26/389162126.db2.gz AUYZNUACGRSLJG-NEPJUHHUSA-N 1 2 297.403 0.245 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCCCNC2=O)C1 ZINC000329406190 389162127 /nfs/dbraw/zinc/16/21/27/389162127.db2.gz AUYZNUACGRSLJG-NEPJUHHUSA-N 1 2 297.403 0.245 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCCNC3=O)C[C@@H]21 ZINC000329527688 389168975 /nfs/dbraw/zinc/16/89/75/389168975.db2.gz UJDQAYIONPWIRQ-GRYCIOLGSA-N 1 2 296.371 0.424 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCCNC3=O)C[C@@H]21 ZINC000329527688 389168978 /nfs/dbraw/zinc/16/89/78/389168978.db2.gz UJDQAYIONPWIRQ-GRYCIOLGSA-N 1 2 296.371 0.424 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000329539239 389169382 /nfs/dbraw/zinc/16/93/82/389169382.db2.gz CJDYUTWICAULJE-VIFPVBQESA-N 1 2 265.317 0.045 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329627967 389178847 /nfs/dbraw/zinc/17/88/47/389178847.db2.gz HDEYPVQLQDUZIC-VIFPVBQESA-N 1 2 276.340 0.646 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329627967 389178850 /nfs/dbraw/zinc/17/88/50/389178850.db2.gz HDEYPVQLQDUZIC-VIFPVBQESA-N 1 2 276.340 0.646 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330589185 389244301 /nfs/dbraw/zinc/24/43/01/389244301.db2.gz UMXJBIFRVOCZCJ-XQQFMLRXSA-N 1 2 268.357 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330589185 389244302 /nfs/dbraw/zinc/24/43/02/389244302.db2.gz UMXJBIFRVOCZCJ-XQQFMLRXSA-N 1 2 268.357 0.150 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248801382 389250181 /nfs/dbraw/zinc/25/01/81/389250181.db2.gz FZZVRXNRARBNGX-GMXVVIOVSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248801382 389250183 /nfs/dbraw/zinc/25/01/83/389250183.db2.gz FZZVRXNRARBNGX-GMXVVIOVSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363840891 389255006 /nfs/dbraw/zinc/25/50/06/389255006.db2.gz IETLICLPUVTXCF-GFCCVEGCSA-N 1 2 279.340 0.323 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363840891 389255010 /nfs/dbraw/zinc/25/50/10/389255010.db2.gz IETLICLPUVTXCF-GFCCVEGCSA-N 1 2 279.340 0.323 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329024 389264948 /nfs/dbraw/zinc/26/49/48/389264948.db2.gz CWFUETBJVYTZLD-KKUMJFAQSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343329024 389264949 /nfs/dbraw/zinc/26/49/49/389264949.db2.gz CWFUETBJVYTZLD-KKUMJFAQSA-N 1 2 294.395 0.947 20 30 CCEDLO C[C@H](CC#N)N(C)CC(O)C[N@H+](C)[C@H](C)CC#N ZINC000245937401 389220881 /nfs/dbraw/zinc/22/08/81/389220881.db2.gz JIQSDCWDCXIZNG-VXGBXAGGSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)N(C)CC(O)C[N@@H+](C)[C@H](C)CC#N ZINC000245937401 389220883 /nfs/dbraw/zinc/22/08/83/389220883.db2.gz JIQSDCWDCXIZNG-VXGBXAGGSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000330417074 389226850 /nfs/dbraw/zinc/22/68/50/389226850.db2.gz OJWSOXYIJPUNTM-GFCCVEGCSA-N 1 2 299.400 0.684 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000361996402 389227449 /nfs/dbraw/zinc/22/74/49/389227449.db2.gz ORARRVZJBKAMOZ-AWEZNQCLSA-N 1 2 270.373 0.851 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000361996402 389227451 /nfs/dbraw/zinc/22/74/51/389227451.db2.gz ORARRVZJBKAMOZ-AWEZNQCLSA-N 1 2 270.373 0.851 20 30 CCEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCC[C@@H](O)C1 ZINC000330458312 389231620 /nfs/dbraw/zinc/23/16/20/389231620.db2.gz YUZJBFPUDITTIK-GFCCVEGCSA-N 1 2 266.345 0.952 20 30 CCEDLO COCCN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330473141 389234055 /nfs/dbraw/zinc/23/40/55/389234055.db2.gz ZKGIBXGFROOXGQ-LLVKDONJSA-N 1 2 259.350 0.199 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(c3cnc(C#N)cn3)CC2)S1 ZINC000133435996 389235464 /nfs/dbraw/zinc/23/54/64/389235464.db2.gz DBEHKQJHXXRUQK-JTQLQIEISA-N 1 2 288.380 0.962 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000154249352 389311191 /nfs/dbraw/zinc/31/11/91/389311191.db2.gz ACBNJWFDXBNQGV-UHFFFAOYSA-N 1 2 291.395 0.019 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000154249352 389311195 /nfs/dbraw/zinc/31/11/95/389311195.db2.gz ACBNJWFDXBNQGV-UHFFFAOYSA-N 1 2 291.395 0.019 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000345960391 389318980 /nfs/dbraw/zinc/31/89/80/389318980.db2.gz RHAOQRQJSUJEGM-OLZOCXBDSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000345960391 389318983 /nfs/dbraw/zinc/31/89/83/389318983.db2.gz RHAOQRQJSUJEGM-OLZOCXBDSA-N 1 2 277.299 0.837 20 30 CCEDLO COC(=O)CN(CCCC#N)CC[NH+]1CCOCC1 ZINC000346026425 389320375 /nfs/dbraw/zinc/32/03/75/389320375.db2.gz MNIONVDLIXTKOU-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO C[C@H]1OCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C ZINC000156320405 389325426 /nfs/dbraw/zinc/32/54/26/389325426.db2.gz MUFVRYSADZKHMW-QWHCGFSZSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@H]1OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C ZINC000156320405 389325428 /nfs/dbraw/zinc/32/54/28/389325428.db2.gz MUFVRYSADZKHMW-QWHCGFSZSA-N 1 2 278.356 0.752 20 30 CCEDLO CC[N@@H+](CC(=O)NCCCN1CCCC1=O)C[C@@H](C)C#N ZINC000157628974 389332924 /nfs/dbraw/zinc/33/29/24/389332924.db2.gz ALJWLQANJUBXHL-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO CC[N@H+](CC(=O)NCCCN1CCCC1=O)C[C@@H](C)C#N ZINC000157628974 389332926 /nfs/dbraw/zinc/33/29/26/389332926.db2.gz ALJWLQANJUBXHL-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000346614256 389333597 /nfs/dbraw/zinc/33/35/97/389333597.db2.gz NGBWYVWFXBYGCH-RKDXNWHRSA-N 1 2 293.289 0.792 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000346614256 389333601 /nfs/dbraw/zinc/33/36/01/389333601.db2.gz NGBWYVWFXBYGCH-RKDXNWHRSA-N 1 2 293.289 0.792 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000264579634 389336800 /nfs/dbraw/zinc/33/68/00/389336800.db2.gz UYSYHOGHISNJHP-CYBMUJFWSA-N 1 2 275.308 0.275 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000264579634 389336803 /nfs/dbraw/zinc/33/68/03/389336803.db2.gz UYSYHOGHISNJHP-CYBMUJFWSA-N 1 2 275.308 0.275 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccnn1C ZINC000348378367 389374994 /nfs/dbraw/zinc/37/49/94/389374994.db2.gz SWNGRFDZCRTUTC-NSHDSACASA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccnn1C ZINC000348378367 389374998 /nfs/dbraw/zinc/37/49/98/389374998.db2.gz SWNGRFDZCRTUTC-NSHDSACASA-N 1 2 275.356 0.803 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000348553170 389382206 /nfs/dbraw/zinc/38/22/06/389382206.db2.gz NYRFEWQUXASYBF-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000348553170 389382208 /nfs/dbraw/zinc/38/22/08/389382208.db2.gz NYRFEWQUXASYBF-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369390599 389395449 /nfs/dbraw/zinc/39/54/49/389395449.db2.gz BXJCFZXMFPBRFM-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369390599 389395455 /nfs/dbraw/zinc/39/54/55/389395455.db2.gz BXJCFZXMFPBRFM-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349570058 389418384 /nfs/dbraw/zinc/41/83/84/389418384.db2.gz CIVQMUKGIKNXJD-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000408384117 389344697 /nfs/dbraw/zinc/34/46/97/389344697.db2.gz YIFYHHARAGLZAP-IJLUTSLNSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000408384117 389344700 /nfs/dbraw/zinc/34/47/00/389344700.db2.gz YIFYHHARAGLZAP-IJLUTSLNSA-N 1 2 252.314 0.943 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907397 262350547 /nfs/dbraw/zinc/35/05/47/262350547.db2.gz ROCPDIHYBRAJQZ-VIFPVBQESA-N 1 2 252.318 0.456 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412073386 389473904 /nfs/dbraw/zinc/47/39/04/389473904.db2.gz LUBLSBWNQIOMNN-IHRRRGAJSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412073386 389473908 /nfs/dbraw/zinc/47/39/08/389473908.db2.gz LUBLSBWNQIOMNN-IHRRRGAJSA-N 1 2 284.400 0.881 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1CC1 ZINC000274039355 389480348 /nfs/dbraw/zinc/48/03/48/389480348.db2.gz FCQJIRKMMGHPTI-CYBMUJFWSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1CC1 ZINC000274039355 389480351 /nfs/dbraw/zinc/48/03/51/389480351.db2.gz FCQJIRKMMGHPTI-CYBMUJFWSA-N 1 2 280.368 0.788 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCN1C1CC1 ZINC000370971157 389424316 /nfs/dbraw/zinc/42/43/16/389424316.db2.gz BNEFPUZQKMPUPE-ZDUSSCGKSA-N 1 2 273.340 0.472 20 30 CCEDLO CSc1[nH]c(=O)c(C(=O)NCC[NH+](C)C)cc1C#N ZINC000349804613 389438757 /nfs/dbraw/zinc/43/87/57/389438757.db2.gz VMRHGDOWMAFICC-UHFFFAOYSA-N 1 2 280.353 0.672 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120610 389444645 /nfs/dbraw/zinc/44/46/45/389444645.db2.gz OXBZBLOQUWZRCQ-STQMWFEESA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120610 389444649 /nfs/dbraw/zinc/44/46/49/389444649.db2.gz OXBZBLOQUWZRCQ-STQMWFEESA-N 1 2 270.373 0.803 20 30 CCEDLO N#Cc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000350393977 389507783 /nfs/dbraw/zinc/50/77/83/389507783.db2.gz QIHILBHMRXFXCB-UHFFFAOYSA-N 1 2 256.265 0.935 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000373797631 389515973 /nfs/dbraw/zinc/51/59/73/389515973.db2.gz OTBGQTGIAJHFAR-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000373797631 389515975 /nfs/dbraw/zinc/51/59/75/389515975.db2.gz OTBGQTGIAJHFAR-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971835 389559172 /nfs/dbraw/zinc/55/91/72/389559172.db2.gz OLTNJNBAHZLVIU-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971835 389559176 /nfs/dbraw/zinc/55/91/76/389559176.db2.gz OLTNJNBAHZLVIU-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCC(C)C)C1=O ZINC000281343387 389614634 /nfs/dbraw/zinc/61/46/34/389614634.db2.gz MPWFVQGHUUIPKU-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCC(C)C)C1=O ZINC000281343387 389614637 /nfs/dbraw/zinc/61/46/37/389614637.db2.gz MPWFVQGHUUIPKU-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000351623658 389638005 /nfs/dbraw/zinc/63/80/05/389638005.db2.gz VCIABRMWFLEPCM-UHFFFAOYSA-N 1 2 284.385 0.682 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)NCC)C1=O ZINC000281962167 389639616 /nfs/dbraw/zinc/63/96/16/389639616.db2.gz KNGFWCJZXPFXPQ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)NCC)C1=O ZINC000281962167 389639621 /nfs/dbraw/zinc/63/96/21/389639621.db2.gz KNGFWCJZXPFXPQ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nncn2C)C1=O ZINC000281964115 389640081 /nfs/dbraw/zinc/64/00/81/389640081.db2.gz KQTURGXPJMRZPD-NEPJUHHUSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nncn2C)C1=O ZINC000281964115 389640083 /nfs/dbraw/zinc/64/00/83/389640083.db2.gz KQTURGXPJMRZPD-NEPJUHHUSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CCCS(C)(=O)=O)C1=O ZINC000282017867 389645484 /nfs/dbraw/zinc/64/54/84/389645484.db2.gz OYMDULBQTQNNNS-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CCCS(C)(=O)=O)C1=O ZINC000282017867 389645486 /nfs/dbraw/zinc/64/54/86/389645486.db2.gz OYMDULBQTQNNNS-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO CCCC[C@H]1NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414133567 389601879 /nfs/dbraw/zinc/60/18/79/389601879.db2.gz NGJQOGYQAZTKKP-NWDGAFQWSA-N 1 2 296.371 0.303 20 30 CCEDLO CCCC[C@H]1NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414133567 389601882 /nfs/dbraw/zinc/60/18/82/389601882.db2.gz NGJQOGYQAZTKKP-NWDGAFQWSA-N 1 2 296.371 0.303 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(CO)o2)C1=O ZINC000281129799 389608694 /nfs/dbraw/zinc/60/86/94/389608694.db2.gz CUUZJNDGZWMAGV-ZDUSSCGKSA-N 1 2 264.325 0.991 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(CO)o2)C1=O ZINC000281129799 389608696 /nfs/dbraw/zinc/60/86/96/389608696.db2.gz CUUZJNDGZWMAGV-ZDUSSCGKSA-N 1 2 264.325 0.991 20 30 CCEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)NCC#N)CC1CC1 ZINC000425511328 389651075 /nfs/dbraw/zinc/65/10/75/389651075.db2.gz LKUNFHPZCHBTST-CQSZACIVSA-N 1 2 281.356 0.680 20 30 CCEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)NCC#N)CC1CC1 ZINC000425511328 389651083 /nfs/dbraw/zinc/65/10/83/389651083.db2.gz LKUNFHPZCHBTST-CQSZACIVSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000180333096 389669316 /nfs/dbraw/zinc/66/93/16/389669316.db2.gz HEBMSQIIMSTCTH-UHFFFAOYSA-N 1 2 291.355 0.249 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cncnc1 ZINC000180585117 389672819 /nfs/dbraw/zinc/67/28/19/389672819.db2.gz RQTJCCGGOQFWIA-LBPRGKRZSA-N 1 2 295.350 0.849 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cncnc1 ZINC000180585117 389672822 /nfs/dbraw/zinc/67/28/22/389672822.db2.gz RQTJCCGGOQFWIA-LBPRGKRZSA-N 1 2 295.350 0.849 20 30 CCEDLO C=CCN(CCC#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000428866765 389724176 /nfs/dbraw/zinc/72/41/76/389724176.db2.gz ZDIKGBIRIDZRTR-CYBMUJFWSA-N 1 2 253.346 0.081 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371295 389799771 /nfs/dbraw/zinc/79/97/71/389799771.db2.gz IDOIPLYWKSWAFG-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371295 389799774 /nfs/dbraw/zinc/79/97/74/389799774.db2.gz IDOIPLYWKSWAFG-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)N(CC)C[C@@H](C)C#N ZINC000429121632 389738207 /nfs/dbraw/zinc/73/82/07/389738207.db2.gz LZAFOMLKESGXOX-NSHDSACASA-N 1 2 268.361 0.192 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(CC)C[C@@H](C)C#N ZINC000429121632 389738209 /nfs/dbraw/zinc/73/82/09/389738209.db2.gz LZAFOMLKESGXOX-NSHDSACASA-N 1 2 268.361 0.192 20 30 CCEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@H]1C ZINC000416396781 389738663 /nfs/dbraw/zinc/73/86/63/389738663.db2.gz FIBQHUVIMAFJMI-NEPJUHHUSA-N 1 2 289.401 0.271 20 30 CCEDLO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@H]1C ZINC000416396781 389738664 /nfs/dbraw/zinc/73/86/64/389738664.db2.gz FIBQHUVIMAFJMI-NEPJUHHUSA-N 1 2 289.401 0.271 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)C1=O ZINC000352362107 389797771 /nfs/dbraw/zinc/79/77/71/389797771.db2.gz NMWPCGSEAUHMPD-DZGCQCFKSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@]3(CCCOC3)C2)C1=O ZINC000352362107 389797772 /nfs/dbraw/zinc/79/77/72/389797772.db2.gz NMWPCGSEAUHMPD-DZGCQCFKSA-N 1 2 280.368 0.655 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000408190737 389833043 /nfs/dbraw/zinc/83/30/43/389833043.db2.gz CXVYXGFPLRRRFV-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000408190737 389833047 /nfs/dbraw/zinc/83/30/47/389833047.db2.gz CXVYXGFPLRRRFV-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000352916472 389841282 /nfs/dbraw/zinc/84/12/82/389841282.db2.gz SSRYISYVEZUINT-UHFFFAOYSA-N 1 2 276.321 0.733 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)C(C)C ZINC000433314562 389908260 /nfs/dbraw/zinc/90/82/60/389908260.db2.gz VGOGUKVRQWTKIP-LBPRGKRZSA-N 1 2 283.372 0.782 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)C(C)C ZINC000433314562 389908261 /nfs/dbraw/zinc/90/82/61/389908261.db2.gz VGOGUKVRQWTKIP-LBPRGKRZSA-N 1 2 283.372 0.782 20 30 CCEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCC#N ZINC000444789482 389918226 /nfs/dbraw/zinc/91/82/26/389918226.db2.gz FBVYBCRSEOLRDU-CQSZACIVSA-N 1 2 281.356 0.824 20 30 CCEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCC#N ZINC000444789482 389918228 /nfs/dbraw/zinc/91/82/28/389918228.db2.gz FBVYBCRSEOLRDU-CQSZACIVSA-N 1 2 281.356 0.824 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000419912035 389931065 /nfs/dbraw/zinc/93/10/65/389931065.db2.gz GJTCELNOKNFEPM-LBPRGKRZSA-N 1 2 281.356 0.595 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955095 390039801 /nfs/dbraw/zinc/03/98/01/390039801.db2.gz VPPANFMYSNOSHO-TXEJJXNPSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955095 390039802 /nfs/dbraw/zinc/03/98/02/390039802.db2.gz VPPANFMYSNOSHO-TXEJJXNPSA-N 1 2 283.372 0.888 20 30 CCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862883 389991234 /nfs/dbraw/zinc/99/12/34/389991234.db2.gz ZSNUQQWCYXUGFV-RISCZKNCSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862883 389991238 /nfs/dbraw/zinc/99/12/38/389991238.db2.gz ZSNUQQWCYXUGFV-RISCZKNCSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H](O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448836499 389991310 /nfs/dbraw/zinc/99/13/10/389991310.db2.gz PCGZPIPISZKMAW-CYBMUJFWSA-N 1 2 283.372 0.222 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000469368226 390077085 /nfs/dbraw/zinc/07/70/85/390077085.db2.gz WMVJJZLTLYKFFU-RBSFLKMASA-N 1 2 295.427 0.720 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492943847 390118658 /nfs/dbraw/zinc/11/86/58/390118658.db2.gz CBOCOGFZCIZTCE-QDZRJHCZSA-N 1 2 261.325 0.807 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488307376 390092628 /nfs/dbraw/zinc/09/26/28/390092628.db2.gz LFRAKFAQUYOZJN-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488307376 390092629 /nfs/dbraw/zinc/09/26/29/390092629.db2.gz LFRAKFAQUYOZJN-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H]3CCC[C@H]3C2=O)CC1 ZINC000491707001 390116145 /nfs/dbraw/zinc/11/61/45/390116145.db2.gz KZMVHIVANVCXEL-ZIAGYGMSSA-N 1 2 261.369 0.453 20 30 CCEDLO C[C@H](C#N)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000537733663 390184346 /nfs/dbraw/zinc/18/43/46/390184346.db2.gz LZIPRMLEYPHJHD-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000493953865 390136874 /nfs/dbraw/zinc/13/68/74/390136874.db2.gz XLDHWMXDGCZAIY-JQWIXIFHSA-N 1 2 253.346 0.723 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000493953865 390136876 /nfs/dbraw/zinc/13/68/76/390136876.db2.gz XLDHWMXDGCZAIY-JQWIXIFHSA-N 1 2 253.346 0.723 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000579812344 390210238 /nfs/dbraw/zinc/21/02/38/390210238.db2.gz LTSJYTXJRUEMMD-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)s1 ZINC000540924313 390228720 /nfs/dbraw/zinc/22/87/20/390228720.db2.gz ZSHUZBAZLWNYCH-JTQLQIEISA-N 1 2 276.321 0.356 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)s1 ZINC000540924313 390228724 /nfs/dbraw/zinc/22/87/24/390228724.db2.gz ZSHUZBAZLWNYCH-JTQLQIEISA-N 1 2 276.321 0.356 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(C(=O)OCC)CC1 ZINC000495603021 390243516 /nfs/dbraw/zinc/24/35/16/390243516.db2.gz NUZCIALLEBRKOD-UHFFFAOYSA-N 1 2 281.356 0.242 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(C(=O)OCC)CC1 ZINC000495603021 390243520 /nfs/dbraw/zinc/24/35/20/390243520.db2.gz NUZCIALLEBRKOD-UHFFFAOYSA-N 1 2 281.356 0.242 20 30 CCEDLO C=CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000648215375 390344658 /nfs/dbraw/zinc/34/46/58/390344658.db2.gz IZEFHOSHYWDIKJ-UHFFFAOYSA-N 1 2 298.350 0.822 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000645453835 390429533 /nfs/dbraw/zinc/42/95/33/390429533.db2.gz SXJFRSBHWGDBOU-NWDGAFQWSA-N 1 2 276.340 0.271 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@H]1CCCO1 ZINC000565051605 390499441 /nfs/dbraw/zinc/49/94/41/390499441.db2.gz NZFUZZMPUSHTSM-DGCLKSJQSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCNC(=O)C[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000505715835 390463343 /nfs/dbraw/zinc/46/33/43/390463343.db2.gz ZOOMVWWOYSBFPA-IBGZPJMESA-N 1 2 277.349 0.885 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938515 390536845 /nfs/dbraw/zinc/53/68/45/390536845.db2.gz DMCLLTWWMJCLTG-MNOVXSKESA-N 1 2 273.327 0.702 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938515 390536848 /nfs/dbraw/zinc/53/68/48/390536848.db2.gz DMCLLTWWMJCLTG-MNOVXSKESA-N 1 2 273.327 0.702 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)C#N ZINC000566061574 390571387 /nfs/dbraw/zinc/57/13/87/390571387.db2.gz IZNUIRRVOGACIX-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)C#N ZINC000566061574 390571390 /nfs/dbraw/zinc/57/13/90/390571390.db2.gz IZNUIRRVOGACIX-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2cncs2)CC1 ZINC000566422606 390602437 /nfs/dbraw/zinc/60/24/37/390602437.db2.gz BAFZMYQXWHKGMU-UHFFFAOYSA-N 1 2 264.354 0.743 20 30 CCEDLO Cc1nc(N2CCN(c3ccnc(C#N)n3)CC2)cc[nH+]1 ZINC000566926208 390660341 /nfs/dbraw/zinc/66/03/41/390660341.db2.gz ISJPEHOVHPJSPA-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000646645888 390702745 /nfs/dbraw/zinc/70/27/45/390702745.db2.gz MHAJIAOUUJQLER-GFCCVEGCSA-N 1 2 277.324 0.081 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000568178880 390712171 /nfs/dbraw/zinc/71/21/71/390712171.db2.gz ZRFALNCXSCPVAY-CABCVRRESA-N 1 2 292.383 0.395 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000568178880 390712173 /nfs/dbraw/zinc/71/21/73/390712173.db2.gz ZRFALNCXSCPVAY-CABCVRRESA-N 1 2 292.383 0.395 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](F)C1 ZINC000528548121 390756725 /nfs/dbraw/zinc/75/67/25/390756725.db2.gz ACUCMRWUJDMPSH-MELADBBJSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H](F)C1 ZINC000528548121 390756726 /nfs/dbraw/zinc/75/67/26/390756726.db2.gz ACUCMRWUJDMPSH-MELADBBJSA-N 1 2 294.326 0.703 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(CC2CC2)nn1 ZINC000578017282 390859881 /nfs/dbraw/zinc/85/98/81/390859881.db2.gz XEZUVPZSZFRXTA-ZDUSSCGKSA-N 1 2 276.344 0.262 20 30 CCEDLO C[C@H](C#N)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000533600335 390885580 /nfs/dbraw/zinc/88/55/80/390885580.db2.gz VQXDRWBZTCUAKB-ZYHUDNBSSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@H](C#N)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000533600335 390885582 /nfs/dbraw/zinc/88/55/82/390885582.db2.gz VQXDRWBZTCUAKB-ZYHUDNBSSA-N 1 2 251.330 0.468 20 30 CCEDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000578522061 390889549 /nfs/dbraw/zinc/88/95/49/390889549.db2.gz ZQJWADRDWGVECS-UHFFFAOYSA-N 1 2 267.354 0.940 20 30 CCEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191420105 130234949 /nfs/dbraw/zinc/23/49/49/130234949.db2.gz OSGZOOYRZIDJLN-ZDUSSCGKSA-N 1 2 260.341 0.997 20 30 CCEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191420105 130234951 /nfs/dbraw/zinc/23/49/51/130234951.db2.gz OSGZOOYRZIDJLN-ZDUSSCGKSA-N 1 2 260.341 0.997 20 30 CCEDLO C=CC[C@H](C)NC(=S)NCC[NH+]1CCOCC1 ZINC000734985496 581600619 /nfs/dbraw/zinc/60/06/19/581600619.db2.gz FUEGQYJBTDJRBM-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C[N@H+](CC(N)=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263663231 131303758 /nfs/dbraw/zinc/30/37/58/131303758.db2.gz DWITWHBWNDGAGI-LBPRGKRZSA-N 1 2 272.308 0.081 20 30 CCEDLO C[N@@H+](CC(N)=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263663231 131303759 /nfs/dbraw/zinc/30/37/59/131303759.db2.gz DWITWHBWNDGAGI-LBPRGKRZSA-N 1 2 272.308 0.081 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)on1 ZINC000263756260 131323175 /nfs/dbraw/zinc/32/31/75/131323175.db2.gz FXQKASNKHHYASU-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000268686975 132049383 /nfs/dbraw/zinc/04/93/83/132049383.db2.gz NVJMSBGRLMLXSY-GFCCVEGCSA-N 1 2 263.341 0.567 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000268686975 132049386 /nfs/dbraw/zinc/04/93/86/132049386.db2.gz NVJMSBGRLMLXSY-GFCCVEGCSA-N 1 2 263.341 0.567 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cnccc2C#N)C1 ZINC000358626728 144167656 /nfs/dbraw/zinc/16/76/56/144167656.db2.gz MTVJKVVYKUPREK-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cnccc2C#N)C1 ZINC000358626728 144167657 /nfs/dbraw/zinc/16/76/57/144167657.db2.gz MTVJKVVYKUPREK-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000358872951 144184440 /nfs/dbraw/zinc/18/44/40/144184440.db2.gz NCODHSQRMNJITA-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000358872951 144184441 /nfs/dbraw/zinc/18/44/41/144184441.db2.gz NCODHSQRMNJITA-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000653616825 412325019 /nfs/dbraw/zinc/32/50/19/412325019.db2.gz GYMCRHKFMUTECH-CQSZACIVSA-N 1 2 277.372 0.371 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCN3CCOC[C@H]3C2)nn1 ZINC000653616825 412325021 /nfs/dbraw/zinc/32/50/21/412325021.db2.gz GYMCRHKFMUTECH-CQSZACIVSA-N 1 2 277.372 0.371 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)nn1 ZINC000653654326 412331437 /nfs/dbraw/zinc/33/14/37/412331437.db2.gz LBITYXLKLBNIFV-OCCSQVGLSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)nn1 ZINC000653654326 412331440 /nfs/dbraw/zinc/33/14/40/412331440.db2.gz LBITYXLKLBNIFV-OCCSQVGLSA-N 1 2 280.372 0.826 20 30 CCEDLO CCCC[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000284966920 196166978 /nfs/dbraw/zinc/16/69/78/196166978.db2.gz CTYHCLDYRNZMNA-JTQLQIEISA-N 1 2 265.317 0.471 20 30 CCEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660881139 414521147 /nfs/dbraw/zinc/52/11/47/414521147.db2.gz GVHLYSOAAHRUJW-RYUDHWBXSA-N 1 2 253.346 0.677 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)n1 ZINC000038034827 174033386 /nfs/dbraw/zinc/03/33/86/174033386.db2.gz CRJHJHLJFMSWPT-GFCCVEGCSA-N 1 2 288.307 0.779 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300311 414708214 /nfs/dbraw/zinc/70/82/14/414708214.db2.gz APQCLTRBWMNDOR-NSHDSACASA-N 1 2 287.363 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300311 414708215 /nfs/dbraw/zinc/70/82/15/414708215.db2.gz APQCLTRBWMNDOR-NSHDSACASA-N 1 2 287.363 0.834 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(CCOC)C(C)=O)n1 ZINC000662165319 414694695 /nfs/dbraw/zinc/69/46/95/414694695.db2.gz BMGVXQCYWUSOOD-LLVKDONJSA-N 1 2 299.396 0.779 20 30 CCEDLO CCOc1ccc(N2CC[NH+](CC#CCOC)CC2)nn1 ZINC000662252734 414699920 /nfs/dbraw/zinc/69/99/20/414699920.db2.gz NTPKEUIWJUKWAV-UHFFFAOYSA-N 1 2 290.367 0.647 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H](C)COC ZINC000663990458 415196122 /nfs/dbraw/zinc/19/61/22/415196122.db2.gz ICTRACFQVYMALR-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H](C)COC ZINC000663990458 415196128 /nfs/dbraw/zinc/19/61/28/415196128.db2.gz ICTRACFQVYMALR-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664443163 415386711 /nfs/dbraw/zinc/38/67/11/415386711.db2.gz BKEMTKVNBHABFG-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664443163 415386718 /nfs/dbraw/zinc/38/67/18/415386718.db2.gz BKEMTKVNBHABFG-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2[nH+]cc(Cl)n2C)c1=O ZINC000078407151 177338757 /nfs/dbraw/zinc/33/87/57/177338757.db2.gz ZSBDEAHNDGHTES-UHFFFAOYSA-N 1 2 293.714 0.337 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)[C@@H](C)CC ZINC000078604717 177359222 /nfs/dbraw/zinc/35/92/22/177359222.db2.gz BMMTXRZHPXJQQI-LBPRGKRZSA-N 1 2 267.373 0.691 20 30 CCEDLO Cn1cncc1CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330046433 228025765 /nfs/dbraw/zinc/02/57/65/228025765.db2.gz GYRQYHSVSLXJTJ-GFCCVEGCSA-N 1 2 266.345 0.640 20 30 CCEDLO Cn1cncc1CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330046433 228025768 /nfs/dbraw/zinc/02/57/68/228025768.db2.gz GYRQYHSVSLXJTJ-GFCCVEGCSA-N 1 2 266.345 0.640 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331429501 228099438 /nfs/dbraw/zinc/09/94/38/228099438.db2.gz GGMQQLQUDURTKP-DGCLKSJQSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331429501 228099440 /nfs/dbraw/zinc/09/94/40/228099440.db2.gz GGMQQLQUDURTKP-DGCLKSJQSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000332034381 228144368 /nfs/dbraw/zinc/14/43/68/228144368.db2.gz SNUTUJICAIDFGE-HNYWDRBLSA-N 1 2 285.413 0.590 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000332034381 228144370 /nfs/dbraw/zinc/14/43/70/228144370.db2.gz SNUTUJICAIDFGE-HNYWDRBLSA-N 1 2 285.413 0.590 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C#N)(COC)CC1 ZINC000357098666 260126624 /nfs/dbraw/zinc/12/66/24/260126624.db2.gz CWOIBJOLRXFSKI-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C#N)(COC)CC1 ZINC000357098666 260126625 /nfs/dbraw/zinc/12/66/25/260126625.db2.gz CWOIBJOLRXFSKI-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@@H](CNC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121402137 260709853 /nfs/dbraw/zinc/70/98/53/260709853.db2.gz NTSSNUQIDJAIJF-RYUDHWBXSA-N 1 2 293.367 0.966 20 30 CCEDLO CC[C@@H](O[NH+]=C(N)Cc1csc(C)n1)C(N)=O ZINC000159398171 261185421 /nfs/dbraw/zinc/18/54/21/261185421.db2.gz JHZZJSWYAPVSFF-MRVPVSSYSA-N 1 2 256.331 0.547 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)cn2)CC1 ZINC000490761626 261203010 /nfs/dbraw/zinc/20/30/10/261203010.db2.gz ARINFURNPPQJBM-UHFFFAOYSA-N 1 2 273.336 0.546 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248978328 261228035 /nfs/dbraw/zinc/22/80/35/261228035.db2.gz IGGIMXAXSVIAMF-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000490865373 261229374 /nfs/dbraw/zinc/22/93/74/261229374.db2.gz BQGQQIAOBROEAB-LLVKDONJSA-N 1 2 293.392 0.434 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000490865373 261229376 /nfs/dbraw/zinc/22/93/76/261229376.db2.gz BQGQQIAOBROEAB-LLVKDONJSA-N 1 2 293.392 0.434 20 30 CCEDLO C=CC[NH+]1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000103493811 261283910 /nfs/dbraw/zinc/28/39/10/261283910.db2.gz OPPXBFBNOHYLJZ-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO C=CCN1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000103493811 261283912 /nfs/dbraw/zinc/28/39/12/261283912.db2.gz OPPXBFBNOHYLJZ-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCn2cccn2)n1 ZINC000491768298 262022438 /nfs/dbraw/zinc/02/24/38/262022438.db2.gz KMCDPUXQLAABHK-UHFFFAOYSA-N 1 2 287.367 0.861 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCn2cccn2)n1 ZINC000491768298 262022441 /nfs/dbraw/zinc/02/24/41/262022441.db2.gz KMCDPUXQLAABHK-UHFFFAOYSA-N 1 2 287.367 0.861 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491821876 262108122 /nfs/dbraw/zinc/10/81/22/262108122.db2.gz YSWZJQBSMCVSQC-STQMWFEESA-N 1 2 267.373 0.664 20 30 CCEDLO C=CC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000111445683 262263390 /nfs/dbraw/zinc/26/33/90/262263390.db2.gz GDIRIBGKHPHEJK-UHFFFAOYSA-N 1 2 267.373 0.926 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000273418280 263016659 /nfs/dbraw/zinc/01/66/59/263016659.db2.gz GGYUAUQNWNKAJE-UHFFFAOYSA-N 1 2 265.313 0.810 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340191144 263086706 /nfs/dbraw/zinc/08/67/06/263086706.db2.gz IBOBQRHPSWARKS-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340191144 263086707 /nfs/dbraw/zinc/08/67/07/263086707.db2.gz IBOBQRHPSWARKS-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000288073283 263103348 /nfs/dbraw/zinc/10/33/48/263103348.db2.gz GZBBOGCZFPOUFZ-UHFFFAOYSA-N 1 2 297.318 0.532 20 30 CCEDLO CO/N=C/C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295822574 263182738 /nfs/dbraw/zinc/18/27/38/263182738.db2.gz HUWQZBYYNYCRAQ-FBWGLTFQSA-N 1 2 250.302 0.962 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187686950 263265142 /nfs/dbraw/zinc/26/51/42/263265142.db2.gz DFQKXKVYCXIEPH-CABCVRRESA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187686950 263265143 /nfs/dbraw/zinc/26/51/43/263265143.db2.gz DFQKXKVYCXIEPH-CABCVRRESA-N 1 2 295.427 0.574 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121301408 263291093 /nfs/dbraw/zinc/29/10/93/263291093.db2.gz DHACHBFODJZWPR-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121301408 263291094 /nfs/dbraw/zinc/29/10/94/263291094.db2.gz DHACHBFODJZWPR-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330378427 263918345 /nfs/dbraw/zinc/91/83/45/263918345.db2.gz RGOMLIKWSKLPAD-JTQLQIEISA-N 1 2 285.373 0.188 20 30 CCEDLO N#CCCC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000051955717 264026842 /nfs/dbraw/zinc/02/68/42/264026842.db2.gz VBUIAXAWKVZMLZ-UHFFFAOYSA-N 1 2 278.356 0.057 20 30 CCEDLO Cc1ccc(NC(=O)NC[C@H](C)S(N)(=O)=O)c(C)[nH+]1 ZINC000330776610 264035420 /nfs/dbraw/zinc/03/54/20/264035420.db2.gz ZTCRJODNFAEVHW-QMMMGPOBSA-N 1 2 286.357 0.701 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000330860054 264055525 /nfs/dbraw/zinc/05/55/25/264055525.db2.gz KOAQVADRTNZATG-OAHLLOKOSA-N 1 2 292.383 0.391 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000330877882 264060715 /nfs/dbraw/zinc/06/07/15/264060715.db2.gz GSWPDDBGIXTUBG-SECBINFHSA-N 1 2 265.317 0.045 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCCC#N ZINC000330895114 264077737 /nfs/dbraw/zinc/07/77/37/264077737.db2.gz MMEQKKXQFAGVSJ-UHFFFAOYSA-N 1 2 253.346 0.907 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)CCCC#N ZINC000330895114 264077739 /nfs/dbraw/zinc/07/77/39/264077739.db2.gz MMEQKKXQFAGVSJ-UHFFFAOYSA-N 1 2 253.346 0.907 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CCO1 ZINC000330894399 264077975 /nfs/dbraw/zinc/07/79/75/264077975.db2.gz ZOXARQXMKNJWOM-QWRGUYRKSA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CCO1 ZINC000330894399 264077977 /nfs/dbraw/zinc/07/79/77/264077977.db2.gz ZOXARQXMKNJWOM-QWRGUYRKSA-N 1 2 287.360 0.161 20 30 CCEDLO C=CC[N@@H+](CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000330896926 264078396 /nfs/dbraw/zinc/07/83/96/264078396.db2.gz NYAWQUZRQFZZKS-NSHDSACASA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000330896926 264078398 /nfs/dbraw/zinc/07/83/98/264078398.db2.gz NYAWQUZRQFZZKS-NSHDSACASA-N 1 2 261.387 0.823 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330946086 264084714 /nfs/dbraw/zinc/08/47/14/264084714.db2.gz HFELDOKOFVUTAX-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000330948841 264085618 /nfs/dbraw/zinc/08/56/18/264085618.db2.gz JAZWLCYAUSSONO-OCCSQVGLSA-N 1 2 269.389 0.066 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000330955539 264087286 /nfs/dbraw/zinc/08/72/86/264087286.db2.gz UDOHQPQWWTVMGM-CYBMUJFWSA-N 1 2 296.415 0.891 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000330955539 264087290 /nfs/dbraw/zinc/08/72/90/264087290.db2.gz UDOHQPQWWTVMGM-CYBMUJFWSA-N 1 2 296.415 0.891 20 30 CCEDLO COCCN(C)C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000330955396 264087378 /nfs/dbraw/zinc/08/73/78/264087378.db2.gz HDCWLCFUODHPFA-LLVKDONJSA-N 1 2 266.345 0.938 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)NC1(CO)CCCC1 ZINC000331028194 264100488 /nfs/dbraw/zinc/10/04/88/264100488.db2.gz WNWIEUARWPIUTD-UHFFFAOYSA-N 1 2 271.361 0.127 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCSC1 ZINC000331041429 264107888 /nfs/dbraw/zinc/10/78/88/264107888.db2.gz QUMKXLRXJJAUHA-CYBMUJFWSA-N 1 2 297.424 0.814 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331241076 264177202 /nfs/dbraw/zinc/17/72/02/264177202.db2.gz XHEQDKZRKOTQIM-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331241076 264177203 /nfs/dbraw/zinc/17/72/03/264177203.db2.gz XHEQDKZRKOTQIM-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000331326875 264190671 /nfs/dbraw/zinc/19/06/71/264190671.db2.gz GOAUCVCRXHGOBI-LLVKDONJSA-N 1 2 292.387 0.094 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000334047980 264228322 /nfs/dbraw/zinc/22/83/22/264228322.db2.gz MWICUGUISPTYGK-SMDDNHRTSA-N 1 2 295.387 0.044 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000334047980 264228323 /nfs/dbraw/zinc/22/83/23/264228323.db2.gz MWICUGUISPTYGK-SMDDNHRTSA-N 1 2 295.387 0.044 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1ccc(C#N)cc1 ZINC000066496992 264278538 /nfs/dbraw/zinc/27/85/38/264278538.db2.gz NEJMFDYHCNMLGA-UHFFFAOYSA-N 1 2 286.335 0.646 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1ccc(C#N)cc1 ZINC000066496992 264278540 /nfs/dbraw/zinc/27/85/40/264278540.db2.gz NEJMFDYHCNMLGA-UHFFFAOYSA-N 1 2 286.335 0.646 20 30 CCEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000293354488 264947376 /nfs/dbraw/zinc/94/73/76/264947376.db2.gz ZMVIYONTRGHJMC-NSHDSACASA-N 1 2 265.357 0.067 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000293354488 264947378 /nfs/dbraw/zinc/94/73/78/264947378.db2.gz ZMVIYONTRGHJMC-NSHDSACASA-N 1 2 265.357 0.067 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC000518998392 265289305 /nfs/dbraw/zinc/28/93/05/265289305.db2.gz IWPPCTMHWSPRFF-DGCLKSJQSA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC000518998392 265289308 /nfs/dbraw/zinc/28/93/08/265289308.db2.gz IWPPCTMHWSPRFF-DGCLKSJQSA-N 1 2 290.367 0.834 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(CCF)c1 ZINC000514605599 266016984 /nfs/dbraw/zinc/01/69/84/266016984.db2.gz MZZIHFPUNKEPHP-LBPRGKRZSA-N 1 2 267.308 0.426 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353057907 266026319 /nfs/dbraw/zinc/02/63/19/266026319.db2.gz YISBTRFYMSSSBV-JSGCOSHPSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353057907 266026321 /nfs/dbraw/zinc/02/63/21/266026321.db2.gz YISBTRFYMSSSBV-JSGCOSHPSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ccccc3[C@H]2C(N)=O)C1=O ZINC000369053520 267219044 /nfs/dbraw/zinc/21/90/44/267219044.db2.gz HFEXYPUEGSRXNK-CABCVRRESA-N 1 2 299.374 0.858 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@H]2C(N)=O)C1=O ZINC000369053520 267219046 /nfs/dbraw/zinc/21/90/46/267219046.db2.gz HFEXYPUEGSRXNK-CABCVRRESA-N 1 2 299.374 0.858 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2 ZINC000369207672 267226509 /nfs/dbraw/zinc/22/65/09/267226509.db2.gz ZVSBPXDANRTRPF-JTQLQIEISA-N 1 2 297.384 0.343 20 30 CCEDLO C[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137414431 277088011 /nfs/dbraw/zinc/08/80/11/277088011.db2.gz XDTSUGWAUUVMHW-UHFFFAOYSA-N 1 2 272.304 0.541 20 30 CCEDLO CC(C)(C(=O)N1CCC(C#N)CC1)[NH+]1CCOCC1 ZINC000346291340 278261101 /nfs/dbraw/zinc/26/11/01/278261101.db2.gz WHDSVLMHXLAOGW-UHFFFAOYSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)nc1 ZINC000176265983 279520933 /nfs/dbraw/zinc/52/09/33/279520933.db2.gz ZNLKTRKYKGSTJU-AWEZNQCLSA-N 1 2 299.378 0.744 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000565166356 328068763 /nfs/dbraw/zinc/06/87/63/328068763.db2.gz ZPNQMJBUVMWJEO-UHFFFAOYSA-N 1 2 259.313 0.052 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000558561307 327105748 /nfs/dbraw/zinc/10/57/48/327105748.db2.gz LBNBNLFNXKYSIT-GFCCVEGCSA-N 1 2 299.400 0.589 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000569549340 327197009 /nfs/dbraw/zinc/19/70/09/327197009.db2.gz IDBSVWTYPBPHII-UONOGXRCSA-N 1 2 297.399 0.599 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399945709 327314568 /nfs/dbraw/zinc/31/45/68/327314568.db2.gz WVTAKDOPEFZMON-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399945709 327314569 /nfs/dbraw/zinc/31/45/69/327314569.db2.gz WVTAKDOPEFZMON-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000569639056 327472467 /nfs/dbraw/zinc/47/24/67/327472467.db2.gz GKDKIZRAZIWSSE-UHFFFAOYSA-N 1 2 285.351 0.376 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)n1 ZINC000527384919 328693060 /nfs/dbraw/zinc/69/30/60/328693060.db2.gz ZLGNWOQAZBGMGZ-MRVPVSSYSA-N 1 2 263.301 0.591 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377364581 329012680 /nfs/dbraw/zinc/01/26/80/329012680.db2.gz VZVMULCVUGJMQY-NSHDSACASA-N 1 2 267.354 0.563 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000378326153 329046116 /nfs/dbraw/zinc/04/61/16/329046116.db2.gz KWFAJDQTOSRDIJ-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000378326153 329046117 /nfs/dbraw/zinc/04/61/17/329046117.db2.gz KWFAJDQTOSRDIJ-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO N#CCSCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174471284 329159284 /nfs/dbraw/zinc/15/92/84/329159284.db2.gz VTPLHWIFCXXCSB-GFCCVEGCSA-N 1 2 283.397 0.566 20 30 CCEDLO C=CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000582878629 329284437 /nfs/dbraw/zinc/28/44/37/329284437.db2.gz SBZCMALVLLQRMI-NSHDSACASA-N 1 2 283.353 0.085 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261637292 329973883 /nfs/dbraw/zinc/97/38/83/329973883.db2.gz FZXITYFUFSZCJS-CYBMUJFWSA-N 1 2 281.381 0.934 20 30 CCEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000422473472 330147486 /nfs/dbraw/zinc/14/74/86/330147486.db2.gz BWRZRUSLKLBITD-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451895735 331046549 /nfs/dbraw/zinc/04/65/49/331046549.db2.gz RGZGJNKJYYWJTL-TXEJJXNPSA-N 1 2 274.386 0.345 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451895735 331046550 /nfs/dbraw/zinc/04/65/50/331046550.db2.gz RGZGJNKJYYWJTL-TXEJJXNPSA-N 1 2 274.386 0.345 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456208783 331186510 /nfs/dbraw/zinc/18/65/10/331186510.db2.gz WDXKDZUSRNYCPU-MBNYWOFBSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456208783 331186511 /nfs/dbraw/zinc/18/65/11/331186511.db2.gz WDXKDZUSRNYCPU-MBNYWOFBSA-N 1 2 268.357 0.293 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCN1C(=O)N[C@@H](C)C1=O)C1CC1 ZINC000459371112 331278731 /nfs/dbraw/zinc/27/87/31/331278731.db2.gz IDULZSOVCNGUFE-UWVGGRQHSA-N 1 2 264.329 0.551 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C1CC1 ZINC000459371112 331278732 /nfs/dbraw/zinc/27/87/32/331278732.db2.gz IDULZSOVCNGUFE-UWVGGRQHSA-N 1 2 264.329 0.551 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCN1C(=O)N[C@@H](C)C1=O)C1CC1 ZINC000459371504 331278761 /nfs/dbraw/zinc/27/87/61/331278761.db2.gz IDULZSOVCNGUFE-ZJUUUORDSA-N 1 2 264.329 0.551 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C1CC1 ZINC000459371504 331278762 /nfs/dbraw/zinc/27/87/62/331278762.db2.gz IDULZSOVCNGUFE-ZJUUUORDSA-N 1 2 264.329 0.551 20 30 CCEDLO OC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000459698185 331294994 /nfs/dbraw/zinc/29/49/94/331294994.db2.gz MWGYIFIEIWOPQG-GXTWGEPZSA-N 1 2 265.740 0.977 20 30 CCEDLO OC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000459698185 331294995 /nfs/dbraw/zinc/29/49/95/331294995.db2.gz MWGYIFIEIWOPQG-GXTWGEPZSA-N 1 2 265.740 0.977 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000489802766 332068405 /nfs/dbraw/zinc/06/84/05/332068405.db2.gz LJWVXJLZVXGDCR-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000489802766 332068407 /nfs/dbraw/zinc/06/84/07/332068407.db2.gz LJWVXJLZVXGDCR-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)[C@@H](C)O)CC1 ZINC000490799998 332116467 /nfs/dbraw/zinc/11/64/67/332116467.db2.gz KRHXMWMHJDOWHP-NEPJUHHUSA-N 1 2 270.398 0.266 20 30 CCEDLO C#CCN(CC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490963360 332134007 /nfs/dbraw/zinc/13/40/07/332134007.db2.gz UVXLMICZEQZKLO-UHFFFAOYSA-N 1 2 265.276 0.866 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C)CC1 ZINC000491193206 332163532 /nfs/dbraw/zinc/16/35/32/332163532.db2.gz WTCJLUXTGMLTFY-UHFFFAOYSA-N 1 2 261.373 0.913 20 30 CCEDLO C#CC[N@@H+](CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491242688 332172290 /nfs/dbraw/zinc/17/22/90/332172290.db2.gz RRVXRCVEVSFIBO-AWEZNQCLSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491242688 332172291 /nfs/dbraw/zinc/17/22/91/332172291.db2.gz RRVXRCVEVSFIBO-AWEZNQCLSA-N 1 2 285.409 0.925 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000491370963 332198607 /nfs/dbraw/zinc/19/86/07/332198607.db2.gz BYTITKPZSYOKKW-ZDUSSCGKSA-N 1 2 259.309 0.744 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000491370963 332198608 /nfs/dbraw/zinc/19/86/08/332198608.db2.gz BYTITKPZSYOKKW-ZDUSSCGKSA-N 1 2 259.309 0.744 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000491441103 332212514 /nfs/dbraw/zinc/21/25/14/332212514.db2.gz UCNPNGHXBGYVPA-WCQYABFASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000491441103 332212515 /nfs/dbraw/zinc/21/25/15/332212515.db2.gz UCNPNGHXBGYVPA-WCQYABFASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)c2nn[nH]n2)CC1 ZINC000491505271 332224798 /nfs/dbraw/zinc/22/47/98/332224798.db2.gz LENSZNOSHRWXDB-NSHDSACASA-N 1 2 290.371 0.107 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccn3ccnc23)CC1 ZINC000491617290 332244116 /nfs/dbraw/zinc/24/41/16/332244116.db2.gz CHEISGUVFDSMAZ-UHFFFAOYSA-N 1 2 298.346 0.491 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CCCC)OC)CC1 ZINC000491714711 332305159 /nfs/dbraw/zinc/30/51/59/332305159.db2.gz NNSCFMXZBOJHLE-UHFFFAOYSA-N 1 2 267.373 0.427 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(O)(CC#N)C1 ZINC000491984943 332378173 /nfs/dbraw/zinc/37/81/73/332378173.db2.gz RVPDWSJNDLQLIE-ARJAWSKDSA-N 1 2 260.297 0.403 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176576186 333043404 /nfs/dbraw/zinc/04/34/04/333043404.db2.gz DBMZULRLCNYORG-CYBMUJFWSA-N 1 2 270.373 0.494 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189455062 333193321 /nfs/dbraw/zinc/19/33/21/333193321.db2.gz QLPSXZGHSVGGII-JTQLQIEISA-N 1 2 295.305 0.994 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189455062 333193322 /nfs/dbraw/zinc/19/33/22/333193322.db2.gz QLPSXZGHSVGGII-JTQLQIEISA-N 1 2 295.305 0.994 20 30 CCEDLO Cc1n[nH]c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1C ZINC000522389201 333285708 /nfs/dbraw/zinc/28/57/08/333285708.db2.gz XLFFWOGYDFUMQW-UHFFFAOYSA-N 1 2 261.329 0.744 20 30 CCEDLO C=CC[C@@H](CO)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000541904093 333798260 /nfs/dbraw/zinc/79/82/60/333798260.db2.gz TVGAUOODTONVTD-NSHDSACASA-N 1 2 288.351 0.227 20 30 CCEDLO COC(=O)[C@@H](O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000135338663 334126602 /nfs/dbraw/zinc/12/66/02/334126602.db2.gz HTAACTMHSLENQQ-AAEUAGOBSA-N 1 2 279.340 0.676 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548479593 334159305 /nfs/dbraw/zinc/15/93/05/334159305.db2.gz COKOJVISRSVKTI-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249550466 334336390 /nfs/dbraw/zinc/33/63/90/334336390.db2.gz HURHRFOSBQMSLR-LALPHHSUSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249550466 334336391 /nfs/dbraw/zinc/33/63/91/334336391.db2.gz HURHRFOSBQMSLR-LALPHHSUSA-N 1 2 294.399 0.627 20 30 CCEDLO Cc1nn(C)c(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564872333 334525248 /nfs/dbraw/zinc/52/52/48/334525248.db2.gz KCHZBCKVVCTXKE-CQSZACIVSA-N 1 2 277.372 0.540 20 30 CCEDLO C[C@@H](CC(=O)N1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000566800497 334664874 /nfs/dbraw/zinc/66/48/74/334664874.db2.gz GOGSNHONRPZCMF-LBPRGKRZSA-N 1 2 261.329 0.502 20 30 CCEDLO CC1(C#N)CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000576445863 335204116 /nfs/dbraw/zinc/20/41/16/335204116.db2.gz FHOVGOHHBDZHMH-UHFFFAOYSA-N 1 2 263.341 0.613 20 30 CCEDLO N#Cc1nccc(Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000579731862 335876438 /nfs/dbraw/zinc/87/64/38/335876438.db2.gz OWDXAEKIKVGQOC-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000581113636 336010202 /nfs/dbraw/zinc/01/02/02/336010202.db2.gz SRJHSYRVJJMHQA-OLZOCXBDSA-N 1 2 280.368 0.701 20 30 CCEDLO C[C@@H]1N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCOC1(C)C ZINC000330095084 534090047 /nfs/dbraw/zinc/09/00/47/534090047.db2.gz UVZWQGNMAFQXEG-NWDGAFQWSA-N 1 2 285.388 0.730 20 30 CCEDLO C[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCOC1(C)C ZINC000330095084 534090057 /nfs/dbraw/zinc/09/00/57/534090057.db2.gz UVZWQGNMAFQXEG-NWDGAFQWSA-N 1 2 285.388 0.730 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn2ccnc2s1 ZINC000570048436 517908217 /nfs/dbraw/zinc/90/82/17/517908217.db2.gz VEVGHZJZWPDRFD-LBPRGKRZSA-N 1 2 277.353 0.969 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862335 534676284 /nfs/dbraw/zinc/67/62/84/534676284.db2.gz XLHZADWZVAPGLA-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862335 534676289 /nfs/dbraw/zinc/67/62/89/534676289.db2.gz XLHZADWZVAPGLA-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000068808180 523887521 /nfs/dbraw/zinc/88/75/21/523887521.db2.gz ZUVYGVIZKQTCSR-OAHLLOKOSA-N 1 2 286.379 0.463 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000068808180 523887526 /nfs/dbraw/zinc/88/75/26/523887526.db2.gz ZUVYGVIZKQTCSR-OAHLLOKOSA-N 1 2 286.379 0.463 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](O)C1 ZINC000330267838 534763832 /nfs/dbraw/zinc/76/38/32/534763832.db2.gz IIEDTBYXHLLVSY-GHMZBOCLSA-N 1 2 264.329 0.569 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)C1=O ZINC000352672608 526510283 /nfs/dbraw/zinc/51/02/83/526510283.db2.gz VFEZJWFYSXGPLX-BFHYXJOUSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@H]2CCCO2)C1=O ZINC000352672608 526510287 /nfs/dbraw/zinc/51/02/87/526510287.db2.gz VFEZJWFYSXGPLX-BFHYXJOUSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CC[C@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000353786149 527127217 /nfs/dbraw/zinc/12/72/17/527127217.db2.gz LFUDHARZANUKCD-NSHDSACASA-N 1 2 255.362 0.524 20 30 CCEDLO C=CC[C@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000353786149 527127226 /nfs/dbraw/zinc/12/72/26/527127226.db2.gz LFUDHARZANUKCD-NSHDSACASA-N 1 2 255.362 0.524 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106429 545163748 /nfs/dbraw/zinc/16/37/48/545163748.db2.gz BCUVJUFUGTWNJL-SNVBAGLBSA-N 1 2 277.246 0.999 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413172247 527543580 /nfs/dbraw/zinc/54/35/80/527543580.db2.gz FGEXZELXQSTACK-UHFFFAOYSA-N 1 2 291.330 0.478 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC1CC(O)C1 ZINC000330334873 527720864 /nfs/dbraw/zinc/72/08/64/527720864.db2.gz RBPQSYQPOGBIIE-MCIGGMRASA-N 1 2 256.346 0.825 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC1CC(O)C1 ZINC000330334873 527720866 /nfs/dbraw/zinc/72/08/66/527720866.db2.gz RBPQSYQPOGBIIE-MCIGGMRASA-N 1 2 256.346 0.825 20 30 CCEDLO CC[C@H](CC#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000356076910 529297023 /nfs/dbraw/zinc/29/70/23/529297023.db2.gz LCPBHQWMTNDWRW-LLVKDONJSA-N 1 2 268.361 0.251 20 30 CCEDLO CC[C@H](CC#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000356076910 529297028 /nfs/dbraw/zinc/29/70/28/529297028.db2.gz LCPBHQWMTNDWRW-LLVKDONJSA-N 1 2 268.361 0.251 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000677987896 545380480 /nfs/dbraw/zinc/38/04/80/545380480.db2.gz FVNUCTNZTWZABN-UHFFFAOYSA-N 1 2 289.335 0.195 20 30 CCEDLO C=CCNC(=O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679132064 545402635 /nfs/dbraw/zinc/40/26/35/545402635.db2.gz OYZACUSEYNNJJZ-UHFFFAOYSA-N 1 2 273.296 0.758 20 30 CCEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)C(=O)N(C)C1=O ZINC000778585226 581160088 /nfs/dbraw/zinc/16/00/88/581160088.db2.gz NBVZLRVCRRVSPK-UHFFFAOYSA-N 1 2 291.307 0.688 20 30 CCEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)C(=O)N(C)C1=O ZINC000778585226 581160089 /nfs/dbraw/zinc/16/00/89/581160089.db2.gz NBVZLRVCRRVSPK-UHFFFAOYSA-N 1 2 291.307 0.688 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(C)C2=O)cc1 ZINC000778591616 581160234 /nfs/dbraw/zinc/16/02/34/581160234.db2.gz KZUPQSJOGUUIEL-GFCCVEGCSA-N 1 2 277.324 0.953 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000745079975 581169472 /nfs/dbraw/zinc/16/94/72/581169472.db2.gz OFAMNYOORODYRW-WFASDCNBSA-N 1 2 293.367 0.822 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000745079975 581169475 /nfs/dbraw/zinc/16/94/75/581169475.db2.gz OFAMNYOORODYRW-WFASDCNBSA-N 1 2 293.367 0.822 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000779244886 581177748 /nfs/dbraw/zinc/17/77/48/581177748.db2.gz QNOSICUUMFDLGD-LBPRGKRZSA-N 1 2 275.308 0.092 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000779244886 581177751 /nfs/dbraw/zinc/17/77/51/581177751.db2.gz QNOSICUUMFDLGD-LBPRGKRZSA-N 1 2 275.308 0.092 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000779340728 581181454 /nfs/dbraw/zinc/18/14/54/581181454.db2.gz KXUOCVAHUINAKM-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000779340728 581181456 /nfs/dbraw/zinc/18/14/56/581181456.db2.gz KXUOCVAHUINAKM-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCOCC2)O1 ZINC000790360123 581185324 /nfs/dbraw/zinc/18/53/24/581185324.db2.gz DAIPLDHIGZAJBB-GFCCVEGCSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCOCC2)O1 ZINC000790360123 581185327 /nfs/dbraw/zinc/18/53/27/581185327.db2.gz DAIPLDHIGZAJBB-GFCCVEGCSA-N 1 2 281.356 0.286 20 30 CCEDLO CC[C@@H](CO)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000779617664 581194663 /nfs/dbraw/zinc/19/46/63/581194663.db2.gz FJQPZNNSGVZTJV-ZDUSSCGKSA-N 1 2 283.372 0.079 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCCCC(=O)OC)CC1 ZINC000779780525 581204266 /nfs/dbraw/zinc/20/42/66/581204266.db2.gz XASZRMNZASOGNF-UHFFFAOYSA-N 1 2 266.341 0.497 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(-c3cccnc3)[nH]n2)N1 ZINC000779799260 581206470 /nfs/dbraw/zinc/20/64/70/581206470.db2.gz JOEJUPFEJPEOQC-VIFPVBQESA-N 1 2 269.312 0.743 20 30 CCEDLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)n1cnc(C#N)n1 ZINC000792288424 581257076 /nfs/dbraw/zinc/25/70/76/581257076.db2.gz ANNWWELNFFMCNZ-MRVPVSSYSA-N 1 2 272.268 0.431 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000793494040 581301202 /nfs/dbraw/zinc/30/12/02/581301202.db2.gz RXJXTRBRUXIFDH-UHFFFAOYSA-N 1 2 282.347 0.883 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](Cn2cnnc2)CC1 ZINC000793671739 581307625 /nfs/dbraw/zinc/30/76/25/581307625.db2.gz CLECRNUPZLQMQJ-UHFFFAOYSA-N 1 2 269.312 0.324 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cn(CCOC)nc2C)CC1 ZINC000782703177 581317783 /nfs/dbraw/zinc/31/77/83/581317783.db2.gz VVJWNDCJEMNNCN-UHFFFAOYSA-N 1 2 290.367 0.229 20 30 CCEDLO COCC[N@H+](Cn1cccc(C#N)c1=O)[C@H]1CCOC1 ZINC000782964411 581329248 /nfs/dbraw/zinc/32/92/48/581329248.db2.gz VDXNKPPIURROGB-ZDUSSCGKSA-N 1 2 277.324 0.415 20 30 CCEDLO COCC[N@@H+](Cn1cccc(C#N)c1=O)[C@H]1CCOC1 ZINC000782964411 581329249 /nfs/dbraw/zinc/32/92/49/581329249.db2.gz VDXNKPPIURROGB-ZDUSSCGKSA-N 1 2 277.324 0.415 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000783625643 581353421 /nfs/dbraw/zinc/35/34/21/581353421.db2.gz XIJDTQHAVFGOOZ-CQSZACIVSA-N 1 2 264.369 0.705 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN(CC#N)C2CC2)C1 ZINC000783975482 581369140 /nfs/dbraw/zinc/36/91/40/581369140.db2.gz LMUIDXYVQALKOG-LLVKDONJSA-N 1 2 273.340 0.681 20 30 CCEDLO C#CCNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795130089 581399400 /nfs/dbraw/zinc/39/94/00/581399400.db2.gz KGEHTGQEQNJSOI-VXGBXAGGSA-N 1 2 267.398 0.289 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@](F)(C#N)C2)C1 ZINC000786108401 581431308 /nfs/dbraw/zinc/43/13/08/581431308.db2.gz QJLKDMBVYYWXCK-SMDDNHRTSA-N 1 2 291.330 0.631 20 30 CCEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCCC#N ZINC000786442269 581441014 /nfs/dbraw/zinc/44/10/14/581441014.db2.gz RIHGURNNEZYSSE-LOWVWBTDSA-N 1 2 279.340 0.290 20 30 CCEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCCC#N ZINC000786442269 581441015 /nfs/dbraw/zinc/44/10/15/581441015.db2.gz RIHGURNNEZYSSE-LOWVWBTDSA-N 1 2 279.340 0.290 20 30 CCEDLO CC(=NNC1=NC(=O)C(=O)N1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765592660 581527305 /nfs/dbraw/zinc/52/73/05/581527305.db2.gz IPEHKTRDHFGVRU-UHFFFAOYSA-N 1 2 296.290 0.198 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000753272729 581534193 /nfs/dbraw/zinc/53/41/93/581534193.db2.gz FZPJMXBTVJTTKH-QGZVFWFLSA-N 1 2 284.359 0.910 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000753272729 581534197 /nfs/dbraw/zinc/53/41/97/581534197.db2.gz FZPJMXBTVJTTKH-QGZVFWFLSA-N 1 2 284.359 0.910 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000766028609 581547633 /nfs/dbraw/zinc/54/76/33/581547633.db2.gz DAWSBRZJZLEINY-ZETCQYMHSA-N 1 2 292.255 0.774 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@H+]2CCOC[C@@H]2C)c1O ZINC000729150147 581553736 /nfs/dbraw/zinc/55/37/36/581553736.db2.gz UBFYDMZLYUUFMP-FSKGUYTJSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@@H+]2CCOC[C@@H]2C)c1O ZINC000729150147 581553738 /nfs/dbraw/zinc/55/37/38/581553738.db2.gz UBFYDMZLYUUFMP-FSKGUYTJSA-N 1 2 293.367 0.728 20 30 CCEDLO C#CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000753917623 581564858 /nfs/dbraw/zinc/56/48/58/581564858.db2.gz MEEYYGFBYYFBPS-CQSZACIVSA-N 1 2 258.321 0.809 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000768177858 581646714 /nfs/dbraw/zinc/64/67/14/581646714.db2.gz SVJUWWAVHMFPQW-LJQANCHMSA-N 1 2 284.425 0.703 20 30 CCEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1ccccc1 ZINC000735920382 581674540 /nfs/dbraw/zinc/67/45/40/581674540.db2.gz RFMVAPVLPUOVFV-UHFFFAOYSA-N 1 2 254.355 0.963 20 30 CCEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1ccccc1 ZINC000735920382 581674541 /nfs/dbraw/zinc/67/45/41/581674541.db2.gz RFMVAPVLPUOVFV-UHFFFAOYSA-N 1 2 254.355 0.963 20 30 CCEDLO C#CCNC(=S)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000758230751 581729808 /nfs/dbraw/zinc/72/98/08/581729808.db2.gz UDXNGBIHHNJFRL-MNOVXSKESA-N 1 2 255.387 0.193 20 30 CCEDLO COCC1(O)CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758243370 581731667 /nfs/dbraw/zinc/73/16/67/581731667.db2.gz QQHRAIHCUZQFDB-UHFFFAOYSA-N 1 2 291.351 0.459 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000742184190 581770401 /nfs/dbraw/zinc/77/04/01/581770401.db2.gz TYOATOFAIGSHCK-HXUWFJFHSA-N 1 2 297.424 0.593 20 30 CCEDLO C=CCNC(=S)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000758925778 581776011 /nfs/dbraw/zinc/77/60/11/581776011.db2.gz YRLIJXTVVGNPHV-UHFFFAOYSA-N 1 2 277.397 0.968 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CCC ZINC000743771119 581825082 /nfs/dbraw/zinc/82/50/82/581825082.db2.gz AEYCBZBQFQHJEM-GXTWGEPZSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CCC ZINC000743771119 581825084 /nfs/dbraw/zinc/82/50/84/581825084.db2.gz AEYCBZBQFQHJEM-GXTWGEPZSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CCCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000743970641 581829203 /nfs/dbraw/zinc/82/92/03/581829203.db2.gz VEBKUSBTAGTURL-UHFFFAOYSA-N 1 2 297.318 0.735 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCN1C1CC1 ZINC000732649468 581839146 /nfs/dbraw/zinc/83/91/46/581839146.db2.gz WPNKIJWNZKEDRK-AWEZNQCLSA-N 1 2 287.367 0.862 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078903 581864317 /nfs/dbraw/zinc/86/43/17/581864317.db2.gz HZLADCRFGJJYGG-GHMZBOCLSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078903 581864318 /nfs/dbraw/zinc/86/43/18/581864318.db2.gz HZLADCRFGJJYGG-GHMZBOCLSA-N 1 2 252.314 0.152 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCCC#N ZINC000745083126 581864632 /nfs/dbraw/zinc/86/46/32/581864632.db2.gz SWAKDSRETDOYJZ-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCCC#N ZINC000745083126 581864635 /nfs/dbraw/zinc/86/46/35/581864635.db2.gz SWAKDSRETDOYJZ-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1CCCO1 ZINC000773316558 581921751 /nfs/dbraw/zinc/92/17/51/581921751.db2.gz WJVPFHSGJKALEN-MNOVXSKESA-N 1 2 262.313 0.400 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccc(-n3ccnc3)nn2)cn1 ZINC000761857744 581922379 /nfs/dbraw/zinc/92/23/79/581922379.db2.gz NCXPYMZYACHYTH-UHFFFAOYSA-N 1 2 281.283 0.481 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000774473983 581975522 /nfs/dbraw/zinc/97/55/22/581975522.db2.gz VLRJMFGRHLXJOZ-UHFFFAOYSA-N 1 2 278.356 0.812 20 30 CCEDLO C#CC[N@@H+](CCCS(=O)(=O)CCOC)C1CC1 ZINC000763950165 582022251 /nfs/dbraw/zinc/02/22/51/582022251.db2.gz SKTSSWKTZYNIER-UHFFFAOYSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+](CCCS(=O)(=O)CCOC)C1CC1 ZINC000763950165 582022253 /nfs/dbraw/zinc/02/22/53/582022253.db2.gz SKTSSWKTZYNIER-UHFFFAOYSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750242461 582039147 /nfs/dbraw/zinc/03/91/47/582039147.db2.gz OFOZXWVLHDKREH-UHFFFAOYSA-N 1 2 288.351 0.924 20 30 CCEDLO N#CCCNC(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751457576 582082049 /nfs/dbraw/zinc/08/20/49/582082049.db2.gz IDAYTVIQCNZWKP-UHFFFAOYSA-N 1 2 276.296 0.169 20 30 CCEDLO C#CCC[NH+]1CCN(CC2(CS(C)(=O)=O)CC2)CC1 ZINC000776593776 582083917 /nfs/dbraw/zinc/08/39/17/582083917.db2.gz ZOYYUVQTMFAKRD-UHFFFAOYSA-N 1 2 284.425 0.452 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067241 616656515 /nfs/dbraw/zinc/65/65/15/616656515.db2.gz BCWRGVDYDVPHFS-UHFFFAOYSA-N 1 2 255.705 0.917 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855408173 613001259 /nfs/dbraw/zinc/00/12/59/613001259.db2.gz QYZMAGYKUREHNA-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855408173 613001260 /nfs/dbraw/zinc/00/12/60/613001260.db2.gz QYZMAGYKUREHNA-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCSCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000154392381 613017469 /nfs/dbraw/zinc/01/74/69/613017469.db2.gz AQTWLLMTTDEWBJ-CHWSQXEVSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000931151450 612953027 /nfs/dbraw/zinc/95/30/27/612953027.db2.gz VGZOEJBBNQREBR-JTQLQIEISA-N 1 2 261.329 0.529 20 30 CCEDLO C#CC1(O)CN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000891974911 612954791 /nfs/dbraw/zinc/95/47/91/612954791.db2.gz SQYAQMWKCGNOFS-UHFFFAOYSA-N 1 2 274.324 0.273 20 30 CCEDLO CS(C)(=O)=NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000902694195 617195633 /nfs/dbraw/zinc/19/56/33/617195633.db2.gz ZYQWRUXGAPUPPB-UHFFFAOYSA-N 1 2 287.316 0.717 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000878454112 613100005 /nfs/dbraw/zinc/10/00/05/613100005.db2.gz SQZLSNKITRXLRJ-GHMZBOCLSA-N 1 2 264.285 0.599 20 30 CCEDLO C#C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C(C)C ZINC000882154769 613100104 /nfs/dbraw/zinc/10/01/04/613100104.db2.gz YSHDZXYQHXEHSR-LLVKDONJSA-N 1 2 255.343 0.460 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OC)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000851839170 613108219 /nfs/dbraw/zinc/10/82/19/613108219.db2.gz HJGPMRGZBXBNNJ-UONOGXRCSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@H](OC)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000851839170 613108220 /nfs/dbraw/zinc/10/82/20/613108220.db2.gz HJGPMRGZBXBNNJ-UONOGXRCSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846617020 612974592 /nfs/dbraw/zinc/97/45/92/612974592.db2.gz LHRPDDPFDVXDRO-UHFFFAOYSA-N 1 2 282.384 0.597 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000958382819 617293968 /nfs/dbraw/zinc/29/39/68/617293968.db2.gz ROBMJETUINCLST-QJPTWQEYSA-N 1 2 289.339 0.006 20 30 CCEDLO C[C@@H](C#N)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906638089 617296145 /nfs/dbraw/zinc/29/61/45/617296145.db2.gz YEAPYLRVIBAUSW-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C#CC1(O)CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000893381840 612955054 /nfs/dbraw/zinc/95/50/54/612955054.db2.gz KHQJNVVMPOEWKN-UHFFFAOYSA-N 1 2 298.346 0.575 20 30 CCEDLO C#CC1(O)CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000891989455 612955071 /nfs/dbraw/zinc/95/50/71/612955071.db2.gz CJPWKWQRRPRISM-UHFFFAOYSA-N 1 2 288.351 0.151 20 30 CCEDLO C#CCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000876531939 612976551 /nfs/dbraw/zinc/97/65/51/612976551.db2.gz UNCWNWFQZOXUBY-CYBMUJFWSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000876531939 612976552 /nfs/dbraw/zinc/97/65/52/612976552.db2.gz UNCWNWFQZOXUBY-CYBMUJFWSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000806916128 612979211 /nfs/dbraw/zinc/97/92/11/612979211.db2.gz SOLQTLHNFYMHSZ-LBPRGKRZSA-N 1 2 288.351 0.645 20 30 CCEDLO C#CCOCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839514239 612985383 /nfs/dbraw/zinc/98/53/83/612985383.db2.gz WOPFZBRIRALTJI-UHFFFAOYSA-N 1 2 289.335 0.711 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000853016021 612987808 /nfs/dbraw/zinc/98/78/08/612987808.db2.gz KAMASUXMBJORBO-ZDUSSCGKSA-N 1 2 278.356 0.953 20 30 CCEDLO C#CCOCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853476663 612989939 /nfs/dbraw/zinc/98/99/39/612989939.db2.gz HCYIJRVDABPADW-UHFFFAOYSA-N 1 2 290.367 0.890 20 30 CCEDLO C#CCOCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853476663 612989940 /nfs/dbraw/zinc/98/99/40/612989940.db2.gz HCYIJRVDABPADW-UHFFFAOYSA-N 1 2 290.367 0.890 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncn2C)C1 ZINC000950779360 612992839 /nfs/dbraw/zinc/99/28/39/612992839.db2.gz KQLVDDCVXPUKNM-UHFFFAOYSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000832170737 612994724 /nfs/dbraw/zinc/99/47/24/612994724.db2.gz SXXFEEVMDLHPCW-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000832170738 612999544 /nfs/dbraw/zinc/99/95/44/612999544.db2.gz SXXFEEVMDLHPCW-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC000843781217 613011293 /nfs/dbraw/zinc/01/12/93/613011293.db2.gz RSYAEVWKCGMEFW-UHFFFAOYSA-N 1 2 287.367 0.784 20 30 CCEDLO C#CC[C@@H](CCOC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882467331 613022825 /nfs/dbraw/zinc/02/28/25/613022825.db2.gz ZDKLBJPEZFEDAK-LBPRGKRZSA-N 1 2 285.369 0.231 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000915488227 613026232 /nfs/dbraw/zinc/02/62/32/613026232.db2.gz NYCLZVQPGZXUAU-LBPRGKRZSA-N 1 2 291.351 0.890 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCCn1cc[nH+]c1 ZINC000858271995 613035068 /nfs/dbraw/zinc/03/50/68/613035068.db2.gz AKQWJIZLFTZYHQ-NSHDSACASA-N 1 2 250.302 0.221 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899151731 613037218 /nfs/dbraw/zinc/03/72/18/613037218.db2.gz DUCYNEHSBYTMSY-FZMZJTMJSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899151731 613037220 /nfs/dbraw/zinc/03/72/20/613037220.db2.gz DUCYNEHSBYTMSY-FZMZJTMJSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875913024 613051767 /nfs/dbraw/zinc/05/17/67/613051767.db2.gz KDWOFEIMACZSMK-NEPJUHHUSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000854541454 613056561 /nfs/dbraw/zinc/05/65/61/613056561.db2.gz IJPYUJYAFDGPKL-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000854541454 613056563 /nfs/dbraw/zinc/05/65/63/613056563.db2.gz IJPYUJYAFDGPKL-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000854550171 613058013 /nfs/dbraw/zinc/05/80/13/613058013.db2.gz PWDLLJBIJBOWNQ-GFCCVEGCSA-N 1 2 257.293 0.757 20 30 CCEDLO C#CCn1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC000834603482 613076859 /nfs/dbraw/zinc/07/68/59/613076859.db2.gz PLAXIFUPWPZXCV-LBPRGKRZSA-N 1 2 271.324 0.980 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCC(=O)O2)n1 ZINC000851995869 613078994 /nfs/dbraw/zinc/07/89/94/613078994.db2.gz AOABGIBSHPWAIT-AWEZNQCLSA-N 1 2 291.351 0.670 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCC(=O)O2)n1 ZINC000851995869 613078996 /nfs/dbraw/zinc/07/89/96/613078996.db2.gz AOABGIBSHPWAIT-AWEZNQCLSA-N 1 2 291.351 0.670 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCOCC1 ZINC000856101508 613098018 /nfs/dbraw/zinc/09/80/18/613098018.db2.gz UZXUPZDSXUOSHM-ZIAGYGMSSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000821771619 613109447 /nfs/dbraw/zinc/10/94/47/613109447.db2.gz HTIQJVXARBNHCT-VWYCJHECSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000821771619 613109449 /nfs/dbraw/zinc/10/94/49/613109449.db2.gz HTIQJVXARBNHCT-VWYCJHECSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)C1 ZINC000941622885 613115166 /nfs/dbraw/zinc/11/51/66/613115166.db2.gz PFAGTSXVNWTZOQ-HZPDHXFCSA-N 1 2 289.423 0.740 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC000941382512 613115237 /nfs/dbraw/zinc/11/52/37/613115237.db2.gz UMOKCLKRWPGXOY-AWEZNQCLSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccccc2O)CC1 ZINC000921437425 613138583 /nfs/dbraw/zinc/13/85/83/613138583.db2.gz XDDQXMKRNYWJOY-UHFFFAOYSA-N 1 2 294.376 0.768 20 30 CCEDLO C#C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C1CCOCC1 ZINC000882414355 613151494 /nfs/dbraw/zinc/15/14/94/613151494.db2.gz DRTWWVDZJGKTKJ-ZDUSSCGKSA-N 1 2 297.380 0.231 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000848493161 613159032 /nfs/dbraw/zinc/15/90/32/613159032.db2.gz LZEAYGPCJYDESK-LBPRGKRZSA-N 1 2 291.351 0.736 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000848493161 613159034 /nfs/dbraw/zinc/15/90/34/613159034.db2.gz LZEAYGPCJYDESK-LBPRGKRZSA-N 1 2 291.351 0.736 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000981595475 613159163 /nfs/dbraw/zinc/15/91/63/613159163.db2.gz NVZVXJDHOZCHQJ-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000981595475 613159164 /nfs/dbraw/zinc/15/91/64/613159164.db2.gz NVZVXJDHOZCHQJ-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CC(=O)NC)no1 ZINC000852101727 613164539 /nfs/dbraw/zinc/16/45/39/613164539.db2.gz HTVRIWIQPJTUTP-GFCCVEGCSA-N 1 2 250.302 0.250 20 30 CCEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000852100920 613165092 /nfs/dbraw/zinc/16/50/92/613165092.db2.gz KUXMYKGBXSABQQ-TVQRCGJNSA-N 1 2 262.361 0.972 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000923566979 613165115 /nfs/dbraw/zinc/16/51/15/613165115.db2.gz VLZLYOBXVMWQOH-UONOGXRCSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000923566979 613165116 /nfs/dbraw/zinc/16/51/16/613165116.db2.gz VLZLYOBXVMWQOH-UONOGXRCSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C=O)c[nH]2)C1 ZINC000923559396 613173622 /nfs/dbraw/zinc/17/36/22/613173622.db2.gz METPJYNDJWWGST-GFCCVEGCSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C=O)c[nH]2)C1 ZINC000923559396 613173624 /nfs/dbraw/zinc/17/36/24/613173624.db2.gz METPJYNDJWWGST-GFCCVEGCSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509635 613176017 /nfs/dbraw/zinc/17/60/17/613176017.db2.gz VEPKZXGKIIKCII-XJFOESAGSA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509635 613176019 /nfs/dbraw/zinc/17/60/19/613176019.db2.gz VEPKZXGKIIKCII-XJFOESAGSA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([S@](C)=O)CC2)C1 ZINC000884322806 613184731 /nfs/dbraw/zinc/18/47/31/613184731.db2.gz VYJNAVVVJGGUJU-YUNKPMOVSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([S@](C)=O)CC2)C1 ZINC000884322806 613184732 /nfs/dbraw/zinc/18/47/32/613184732.db2.gz VYJNAVVVJGGUJU-YUNKPMOVSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCCc2nc[nH]n2)C1 ZINC000890362279 613184982 /nfs/dbraw/zinc/18/49/82/613184982.db2.gz BIAJQBWSNNXBFX-LBPRGKRZSA-N 1 2 290.371 0.134 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCc2nc[nH]n2)C1 ZINC000890362279 613184983 /nfs/dbraw/zinc/18/49/83/613184983.db2.gz BIAJQBWSNNXBFX-LBPRGKRZSA-N 1 2 290.371 0.134 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000923566269 613191231 /nfs/dbraw/zinc/19/12/31/613191231.db2.gz OPKNIVLTUFRDOL-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000923566269 613191233 /nfs/dbraw/zinc/19/12/33/613191233.db2.gz OPKNIVLTUFRDOL-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCCC#N)C1 ZINC000885511752 613193172 /nfs/dbraw/zinc/19/31/72/613193172.db2.gz MCVHDDSCLCBMKO-ZDUSSCGKSA-N 1 2 283.397 0.697 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCCC#N)C1 ZINC000885511752 613193174 /nfs/dbraw/zinc/19/31/74/613193174.db2.gz MCVHDDSCLCBMKO-ZDUSSCGKSA-N 1 2 283.397 0.697 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)CCC)C1 ZINC000885512448 613193299 /nfs/dbraw/zinc/19/32/99/613193299.db2.gz WDZTUNFHGODOJG-LBPRGKRZSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)CCC)C1 ZINC000885512448 613193300 /nfs/dbraw/zinc/19/33/00/613193300.db2.gz WDZTUNFHGODOJG-LBPRGKRZSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@@H]1CCCOC1 ZINC000899654863 613201417 /nfs/dbraw/zinc/20/14/17/613201417.db2.gz KBNBDPOKCSYMEL-ILXRZTDVSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@@H]1CCCOC1 ZINC000899654863 613201418 /nfs/dbraw/zinc/20/14/18/613201418.db2.gz KBNBDPOKCSYMEL-ILXRZTDVSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000837257931 613201924 /nfs/dbraw/zinc/20/19/24/613201924.db2.gz IVTUHWACFRBRKI-MCIONIFRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000837257931 613201925 /nfs/dbraw/zinc/20/19/25/613201925.db2.gz IVTUHWACFRBRKI-MCIONIFRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CCN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845499651 613206037 /nfs/dbraw/zinc/20/60/37/613206037.db2.gz CCKAZPLEVSUUED-ZDUSSCGKSA-N 1 2 260.341 0.612 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000810382478 613206552 /nfs/dbraw/zinc/20/65/52/613206552.db2.gz OPAUFRHHVSVFFW-MRXNPFEDSA-N 1 2 285.391 0.572 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000810382478 613206554 /nfs/dbraw/zinc/20/65/54/613206554.db2.gz OPAUFRHHVSVFFW-MRXNPFEDSA-N 1 2 285.391 0.572 20 30 CCEDLO C#Cc1cnc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000828178852 613210030 /nfs/dbraw/zinc/21/00/30/613210030.db2.gz YMXMGERTCFBDFM-TZMCWYRMSA-N 1 2 272.352 0.757 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932931261 613293007 /nfs/dbraw/zinc/29/30/07/613293007.db2.gz ISCCOOUPAMVAER-UHFFFAOYSA-N 1 2 279.384 0.893 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932931261 613293008 /nfs/dbraw/zinc/29/30/08/613293008.db2.gz ISCCOOUPAMVAER-UHFFFAOYSA-N 1 2 279.384 0.893 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC000950462397 613295236 /nfs/dbraw/zinc/29/52/36/613295236.db2.gz FTVWMSSCKXZNMY-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(=O)n(C)o2)C1 ZINC000949974759 613296134 /nfs/dbraw/zinc/29/61/34/613296134.db2.gz QOHOKKSMTJQGFG-UHFFFAOYSA-N 1 2 279.340 0.701 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972799093 613301543 /nfs/dbraw/zinc/30/15/43/613301543.db2.gz QZYMVLMIBBTGKM-JTQLQIEISA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972799093 613301544 /nfs/dbraw/zinc/30/15/44/613301544.db2.gz QZYMVLMIBBTGKM-JTQLQIEISA-N 1 2 278.381 0.920 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC000949216447 613320405 /nfs/dbraw/zinc/32/04/05/613320405.db2.gz BYLBVNXZCMKQAL-UHFFFAOYSA-N 1 2 278.356 0.763 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000962178279 613321796 /nfs/dbraw/zinc/32/17/96/613321796.db2.gz JNMBXEZACJAUQN-MUYACECFSA-N 1 2 298.390 0.828 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000962178279 613321798 /nfs/dbraw/zinc/32/17/98/613321798.db2.gz JNMBXEZACJAUQN-MUYACECFSA-N 1 2 298.390 0.828 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000892148913 613323437 /nfs/dbraw/zinc/32/34/37/613323437.db2.gz QVBINURENSMMLG-UHFFFAOYSA-N 1 2 287.367 0.508 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000892148913 613323438 /nfs/dbraw/zinc/32/34/38/613323438.db2.gz QVBINURENSMMLG-UHFFFAOYSA-N 1 2 287.367 0.508 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000879118119 613327858 /nfs/dbraw/zinc/32/78/58/613327858.db2.gz COKLPYNUEVCDHF-UHFFFAOYSA-N 1 2 262.357 0.701 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000879118119 613327860 /nfs/dbraw/zinc/32/78/60/613327860.db2.gz COKLPYNUEVCDHF-UHFFFAOYSA-N 1 2 262.357 0.701 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933986499 613328857 /nfs/dbraw/zinc/32/88/57/613328857.db2.gz IFIFRCUZEJATHC-ZDUSSCGKSA-N 1 2 292.408 0.650 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933986499 613328858 /nfs/dbraw/zinc/32/88/58/613328858.db2.gz IFIFRCUZEJATHC-ZDUSSCGKSA-N 1 2 292.408 0.650 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000854217469 613353263 /nfs/dbraw/zinc/35/32/63/613353263.db2.gz NYJZOFBZMUVQQI-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000854217469 613353264 /nfs/dbraw/zinc/35/32/64/613353264.db2.gz NYJZOFBZMUVQQI-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000883701578 613354803 /nfs/dbraw/zinc/35/48/03/613354803.db2.gz QMSKOOVQUBONDX-JTQLQIEISA-N 1 2 252.318 0.546 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000865307466 613356992 /nfs/dbraw/zinc/35/69/92/613356992.db2.gz QFIVWNNCKDDNKN-GRYCIOLGSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000865307466 613356993 /nfs/dbraw/zinc/35/69/93/613356993.db2.gz QFIVWNNCKDDNKN-GRYCIOLGSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000969790350 613371665 /nfs/dbraw/zinc/37/16/65/613371665.db2.gz WCUDWALFUMVHQE-GHMZBOCLSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000970369620 613372334 /nfs/dbraw/zinc/37/23/34/613372334.db2.gz SBFLTUOAJPWSFP-VIFPVBQESA-N 1 2 298.774 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675965 613377275 /nfs/dbraw/zinc/37/72/75/613377275.db2.gz SFUOYINYNWTXFO-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675965 613377276 /nfs/dbraw/zinc/37/72/76/613377276.db2.gz SFUOYINYNWTXFO-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943675965 613377277 /nfs/dbraw/zinc/37/72/77/613377277.db2.gz SFUOYINYNWTXFO-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943675965 613377278 /nfs/dbraw/zinc/37/72/78/613377278.db2.gz SFUOYINYNWTXFO-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCc1ncn(C)n1)C(=O)OC ZINC000905776344 613405625 /nfs/dbraw/zinc/40/56/25/613405625.db2.gz AUHHSAPQVIEKOF-SNVBAGLBSA-N 1 2 252.318 0.455 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCN(C)C(=O)OC ZINC000878951680 613409593 /nfs/dbraw/zinc/40/95/93/613409593.db2.gz OCWPYHTZOSPYKL-SNVBAGLBSA-N 1 2 258.318 0.734 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCN(C)C(=O)OC ZINC000878951680 613409597 /nfs/dbraw/zinc/40/95/97/613409597.db2.gz OCWPYHTZOSPYKL-SNVBAGLBSA-N 1 2 258.318 0.734 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(N2CCOCC2)CC1 ZINC000878968207 613410603 /nfs/dbraw/zinc/41/06/03/613410603.db2.gz LRWZHXTZOITVDR-CQSZACIVSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000878255503 613411078 /nfs/dbraw/zinc/41/10/78/613411078.db2.gz QOUOKUQJUVWHQA-BLVKFPJESA-N 1 2 288.413 0.100 20 30 CCEDLO C=CCn1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)nn1 ZINC000898909664 613428465 /nfs/dbraw/zinc/42/84/65/613428465.db2.gz DXZMZAIKRPWWDE-UHFFFAOYSA-N 1 2 274.328 0.826 20 30 CCEDLO C=CCn1cc(C(=O)OCCCc2[nH+]ccn2C)nn1 ZINC000842769045 613432305 /nfs/dbraw/zinc/43/23/05/613432305.db2.gz GSSGOWHCEDLEBY-UHFFFAOYSA-N 1 2 275.312 0.987 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938531358 613439652 /nfs/dbraw/zinc/43/96/52/613439652.db2.gz VZBNYEWYHOJWAE-NSHDSACASA-N 1 2 290.367 0.882 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000835266252 613468563 /nfs/dbraw/zinc/46/85/63/613468563.db2.gz DLLLLXJQGDAAAE-XQQFMLRXSA-N 1 2 269.341 0.841 20 30 CCEDLO C=CCC[N@H+]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC000981456445 613495118 /nfs/dbraw/zinc/49/51/18/613495118.db2.gz BBTHXWNAQKBSCG-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC000981456445 613495120 /nfs/dbraw/zinc/49/51/20/613495120.db2.gz BBTHXWNAQKBSCG-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO CC#CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846094292 613516948 /nfs/dbraw/zinc/51/69/48/613516948.db2.gz FFHOMTZPAUXCHL-UHFFFAOYSA-N 1 2 271.324 0.669 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CCC3)CC2)C1 ZINC000941275029 613529015 /nfs/dbraw/zinc/52/90/15/613529015.db2.gz NSZYLZUCPVRVBB-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000941366085 613529257 /nfs/dbraw/zinc/52/92/57/613529257.db2.gz KWTMXPFHTDZBTF-RZNTYIFUSA-N 1 2 275.396 0.804 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCC)CC2)C1 ZINC000941281420 613529736 /nfs/dbraw/zinc/52/97/36/613529736.db2.gz YQKRPHRDEOSDEH-UHFFFAOYSA-N 1 2 263.385 0.638 20 30 CCEDLO CC#CCN1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957332521 613563776 /nfs/dbraw/zinc/56/37/76/613563776.db2.gz SRWWMKPZSPVNSQ-UHFFFAOYSA-N 1 2 260.341 0.130 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000876306056 613583844 /nfs/dbraw/zinc/58/38/44/613583844.db2.gz ZETVWKNNZQYEMN-JTQLQIEISA-N 1 2 252.318 0.546 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925604284 613588420 /nfs/dbraw/zinc/58/84/20/613588420.db2.gz IQJCEFDHWXKGPG-ZIAGYGMSSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925595180 613609605 /nfs/dbraw/zinc/60/96/05/613609605.db2.gz OSLSQYIXPAMWRS-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](C(=O)OC)OC1=O)[C@@H](C)COC ZINC000853533951 613651099 /nfs/dbraw/zinc/65/10/99/613651099.db2.gz FIHFLIWDCKWXQO-QWRGUYRKSA-N 1 2 286.328 0.461 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](C(=O)OC)OC1=O)[C@@H](C)COC ZINC000853533951 613651102 /nfs/dbraw/zinc/65/11/02/613651102.db2.gz FIHFLIWDCKWXQO-QWRGUYRKSA-N 1 2 286.328 0.461 20 30 CCEDLO C=CCN1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830589 613656124 /nfs/dbraw/zinc/65/61/24/613656124.db2.gz RQMZUTNAPLOFTR-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CCN1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830589 613656126 /nfs/dbraw/zinc/65/61/26/613656126.db2.gz RQMZUTNAPLOFTR-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC000957304500 613708237 /nfs/dbraw/zinc/70/82/37/613708237.db2.gz UELURUVWBZULAK-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC000948715721 613708908 /nfs/dbraw/zinc/70/89/08/613708908.db2.gz LZKUAFRGRDFYDG-LBPRGKRZSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC000948712670 613709547 /nfs/dbraw/zinc/70/95/47/613709547.db2.gz LXPNZMCNUOISTG-ZIAGYGMSSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000948792162 613709781 /nfs/dbraw/zinc/70/97/81/613709781.db2.gz ANCFKOCKWMDLBA-UHFFFAOYSA-N 1 2 262.357 0.601 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2c(C)c(C)sc2=O)CC1 ZINC000957776593 613709943 /nfs/dbraw/zinc/70/99/43/613709943.db2.gz MXQSXXDGSUGLGW-UHFFFAOYSA-N 1 2 295.408 0.857 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC000948712818 613711837 /nfs/dbraw/zinc/71/18/37/613711837.db2.gz RZEQHXNKXMVPGK-CYBMUJFWSA-N 1 2 286.379 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)CC1 ZINC000957731014 613712486 /nfs/dbraw/zinc/71/24/86/613712486.db2.gz WASZXNROUBWYMX-HNNXBMFYSA-N 1 2 293.411 0.427 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000948624765 613712723 /nfs/dbraw/zinc/71/27/23/613712723.db2.gz RDOAURHYZFLPAC-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000957309117 613713552 /nfs/dbraw/zinc/71/35/52/613713552.db2.gz JJZCPXWWIQTULP-LBPRGKRZSA-N 1 2 274.368 0.845 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC000949548253 613713808 /nfs/dbraw/zinc/71/38/08/613713808.db2.gz AQHJTMRDDIWIOZ-UHFFFAOYSA-N 1 2 262.357 0.981 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(NC(C)=O)cn2)CC1 ZINC000948661503 613716099 /nfs/dbraw/zinc/71/60/99/613716099.db2.gz VFWNIBPFQMGNIK-UHFFFAOYSA-N 1 2 288.351 0.984 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncn(C)c3n2)CC1 ZINC000950488151 613716139 /nfs/dbraw/zinc/71/61/39/613716139.db2.gz YCBFWVURSXDHSP-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000949087098 613718339 /nfs/dbraw/zinc/71/83/39/613718339.db2.gz BCNQPCZBIFSUJU-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000840056138 613720639 /nfs/dbraw/zinc/72/06/39/613720639.db2.gz UFFYSNGLDMMYDH-ZDUSSCGKSA-N 1 2 292.383 0.564 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000840056138 613720641 /nfs/dbraw/zinc/72/06/41/613720641.db2.gz UFFYSNGLDMMYDH-ZDUSSCGKSA-N 1 2 292.383 0.564 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000972503202 613723350 /nfs/dbraw/zinc/72/33/50/613723350.db2.gz BDBRPTZSMPAVPR-NHIYQJMISA-N 1 2 292.379 0.368 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000972503202 613723354 /nfs/dbraw/zinc/72/33/54/613723354.db2.gz BDBRPTZSMPAVPR-NHIYQJMISA-N 1 2 292.379 0.368 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 ZINC000972489639 613724145 /nfs/dbraw/zinc/72/41/45/613724145.db2.gz PLFJQTFQFOXGRF-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 ZINC000972489639 613724146 /nfs/dbraw/zinc/72/41/46/613724146.db2.gz PLFJQTFQFOXGRF-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000972389818 613726611 /nfs/dbraw/zinc/72/66/11/613726611.db2.gz YLNJJZDUKZSJCE-IMJJTQAJSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000972389818 613726616 /nfs/dbraw/zinc/72/66/16/613726616.db2.gz YLNJJZDUKZSJCE-IMJJTQAJSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000972503203 613726698 /nfs/dbraw/zinc/72/66/98/613726698.db2.gz BDBRPTZSMPAVPR-ORIJERBGSA-N 1 2 292.379 0.368 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000972503203 613726702 /nfs/dbraw/zinc/72/67/02/613726702.db2.gz BDBRPTZSMPAVPR-ORIJERBGSA-N 1 2 292.379 0.368 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972274284 613727377 /nfs/dbraw/zinc/72/73/77/613727377.db2.gz YCQQXNBEQBMKNR-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972274284 613727379 /nfs/dbraw/zinc/72/73/79/613727379.db2.gz YCQQXNBEQBMKNR-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230552 613730731 /nfs/dbraw/zinc/73/07/31/613730731.db2.gz FTRFZWBFUCJQER-MNOVXSKESA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230552 613730732 /nfs/dbraw/zinc/73/07/32/613730732.db2.gz FTRFZWBFUCJQER-MNOVXSKESA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCN1CC[C@@H](O[NH+]=C(N)Cc2cccnc2)C1=O ZINC000809998864 613765817 /nfs/dbraw/zinc/76/58/17/613765817.db2.gz WQMWMTCUAZGGNQ-GFCCVEGCSA-N 1 2 274.324 0.909 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccncc21 ZINC000884330977 613877841 /nfs/dbraw/zinc/87/78/41/613877841.db2.gz BVSHVSXKNOTEHD-NSHDSACASA-N 1 2 275.308 0.417 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nccs1 ZINC000884197722 613878161 /nfs/dbraw/zinc/87/81/61/613878161.db2.gz CIAFCGJGVJGGSD-VIFPVBQESA-N 1 2 283.353 0.248 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000884159577 613878640 /nfs/dbraw/zinc/87/86/40/613878640.db2.gz HGAGLWGQDACKLN-MXWKQRLJSA-N 1 2 286.397 0.833 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C(C)(C)C ZINC000884388585 613878763 /nfs/dbraw/zinc/87/87/63/613878763.db2.gz ZTEAQDJBEWORCF-ZJUUUORDSA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC12CC2 ZINC000884450839 613878797 /nfs/dbraw/zinc/87/87/97/613878797.db2.gz VGSAQZFSDPPZJG-QWRGUYRKSA-N 1 2 266.341 0.882 20 30 CCEDLO C=CCONC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922766929 613884243 /nfs/dbraw/zinc/88/42/43/613884243.db2.gz LLANOZWPJSJSRN-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847708019 613885384 /nfs/dbraw/zinc/88/53/84/613885384.db2.gz RBFBTXJBJSJXIZ-JTQLQIEISA-N 1 2 285.369 0.305 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847708019 613885385 /nfs/dbraw/zinc/88/53/85/613885385.db2.gz RBFBTXJBJSJXIZ-JTQLQIEISA-N 1 2 285.369 0.305 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000957779579 613929888 /nfs/dbraw/zinc/92/98/88/613929888.db2.gz CUOYHPPRYRIYQD-ZFWWWQNUSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000957779579 613929891 /nfs/dbraw/zinc/92/98/91/613929891.db2.gz CUOYHPPRYRIYQD-ZFWWWQNUSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880484719 614180333 /nfs/dbraw/zinc/18/03/33/614180333.db2.gz UEFBXCPSWCLCHD-DGCLKSJQSA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880484719 614180336 /nfs/dbraw/zinc/18/03/36/614180336.db2.gz UEFBXCPSWCLCHD-DGCLKSJQSA-N 1 2 251.330 0.274 20 30 CCEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000974978901 614602334 /nfs/dbraw/zinc/60/23/34/614602334.db2.gz ACFQOVCIUOZFPZ-AWEZNQCLSA-N 1 2 299.374 0.350 20 30 CCEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000974978901 614602335 /nfs/dbraw/zinc/60/23/35/614602335.db2.gz ACFQOVCIUOZFPZ-AWEZNQCLSA-N 1 2 299.374 0.350 20 30 CCEDLO CCC/N=C1/NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S1 ZINC000106898491 614617877 /nfs/dbraw/zinc/61/78/77/614617877.db2.gz VXHDTIHRTRXKMK-VIFPVBQESA-N 1 2 286.401 0.052 20 30 CCEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCCO)C1 ZINC000949854017 614708038 /nfs/dbraw/zinc/70/80/38/614708038.db2.gz DPOAVRGKRWCZKQ-UHFFFAOYSA-N 1 2 276.340 0.415 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC000821732604 615047008 /nfs/dbraw/zinc/04/70/08/615047008.db2.gz QNLHFYFNRFUNOB-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC000821732604 615047010 /nfs/dbraw/zinc/04/70/10/615047010.db2.gz QNLHFYFNRFUNOB-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)ncn1 ZINC000872772925 615569537 /nfs/dbraw/zinc/56/95/37/615569537.db2.gz CNFGGUWBKNYFOY-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1cc(C#N)ncn1 ZINC000872772925 615569538 /nfs/dbraw/zinc/56/95/38/615569538.db2.gz CNFGGUWBKNYFOY-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454059 615587900 /nfs/dbraw/zinc/58/79/00/615587900.db2.gz XOKDMMMFUAKUFS-YPMHNXCESA-N 1 2 261.329 0.822 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000925586033 615716295 /nfs/dbraw/zinc/71/62/95/615716295.db2.gz RPVIKOODPHYTRV-OLZOCXBDSA-N 1 2 296.371 0.031 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C#N ZINC000921888690 615716580 /nfs/dbraw/zinc/71/65/80/615716580.db2.gz WCMHGCHAJLWUKE-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1cccc2nc[nH]c21 ZINC000913519964 615861329 /nfs/dbraw/zinc/86/13/29/615861329.db2.gz WXVWVTDPJGBPNC-UHFFFAOYSA-N 1 2 256.309 0.858 20 30 CCEDLO CN1C(=O)CN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336923 616135953 /nfs/dbraw/zinc/13/59/53/616135953.db2.gz YFEISIVRVLBCNM-UHFFFAOYSA-N 1 2 298.346 0.962 20 30 CCEDLO CN1C(=O)CN(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336923 616135954 /nfs/dbraw/zinc/13/59/54/616135954.db2.gz YFEISIVRVLBCNM-UHFFFAOYSA-N 1 2 298.346 0.962 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1CO ZINC000913550005 616229390 /nfs/dbraw/zinc/22/93/90/616229390.db2.gz KVUKWCXORXHUIO-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1CO ZINC000913550005 616229391 /nfs/dbraw/zinc/22/93/91/616229391.db2.gz KVUKWCXORXHUIO-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@H]1CO ZINC000913547698 616230274 /nfs/dbraw/zinc/23/02/74/616230274.db2.gz URKGSNUWGVOIAM-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@H]1CO ZINC000913547698 616230275 /nfs/dbraw/zinc/23/02/75/616230275.db2.gz URKGSNUWGVOIAM-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](CO)C1 ZINC000912751489 616230427 /nfs/dbraw/zinc/23/04/27/616230427.db2.gz ISFOAKIISVFATO-CYBMUJFWSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](CO)C1 ZINC000912751489 616230428 /nfs/dbraw/zinc/23/04/28/616230428.db2.gz ISFOAKIISVFATO-CYBMUJFWSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1cccc(C#N)n1 ZINC000895612172 616249406 /nfs/dbraw/zinc/24/94/06/616249406.db2.gz MDQZRMPNVUGLCQ-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1cccc(C#N)n1 ZINC000895612172 616249407 /nfs/dbraw/zinc/24/94/07/616249407.db2.gz MDQZRMPNVUGLCQ-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895157241 616323524 /nfs/dbraw/zinc/32/35/24/616323524.db2.gz NWRLVVVBXMCFIA-DGMVEKRQSA-N 1 2 294.307 0.936 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCO[C@@H](C)C#N)C[C@H](C)O1 ZINC000844419296 616389460 /nfs/dbraw/zinc/38/94/60/616389460.db2.gz ADXCEAHCVQZIPQ-DCAQKATOSA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)C[C@H](C)O1 ZINC000844419296 616389463 /nfs/dbraw/zinc/38/94/63/616389463.db2.gz ADXCEAHCVQZIPQ-DCAQKATOSA-N 1 2 256.302 0.177 20 30 CCEDLO COCC#CC[NH+]1CCN(c2cncc(OC)c2)CC1 ZINC000931210932 616527652 /nfs/dbraw/zinc/52/76/52/616527652.db2.gz DTDMMQCARYNCIU-UHFFFAOYSA-N 1 2 275.352 0.862 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000871342675 616545387 /nfs/dbraw/zinc/54/53/87/616545387.db2.gz SCZDSQWEEKMPMJ-LLVKDONJSA-N 1 2 290.323 0.361 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCC#N ZINC000812552258 616612623 /nfs/dbraw/zinc/61/26/23/616612623.db2.gz OSYHPDUDJYSXGQ-JTQLQIEISA-N 1 2 264.285 0.235 20 30 CCEDLO CON(C)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365420 617020223 /nfs/dbraw/zinc/02/02/23/617020223.db2.gz FZBAKRPFMIXDIT-CYBMUJFWSA-N 1 2 277.324 0.543 20 30 CCEDLO CON(C)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365420 617020228 /nfs/dbraw/zinc/02/02/28/617020228.db2.gz FZBAKRPFMIXDIT-CYBMUJFWSA-N 1 2 277.324 0.543 20 30 CCEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)c1C#N ZINC000930516367 625343317 /nfs/dbraw/zinc/34/33/17/625343317.db2.gz BYCOCYJPRXSIDJ-CMPLNLGQSA-N 1 2 296.396 0.187 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC001026324957 625398488 /nfs/dbraw/zinc/39/84/88/625398488.db2.gz RYZZTHWPKYQGDW-HZSPNIEDSA-N 1 2 287.367 0.623 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000972516228 622921109 /nfs/dbraw/zinc/92/11/09/622921109.db2.gz KEADQMLXENAFSZ-YPMHNXCESA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000972516228 622921119 /nfs/dbraw/zinc/92/11/19/622921119.db2.gz KEADQMLXENAFSZ-YPMHNXCESA-N 1 2 275.356 0.645 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccn(C)n1 ZINC001017592604 623611009 /nfs/dbraw/zinc/61/10/09/623611009.db2.gz YNNXHOCRFRCBIW-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccn(C)n1 ZINC001017592604 623611012 /nfs/dbraw/zinc/61/10/12/623611012.db2.gz YNNXHOCRFRCBIW-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007495136 623652561 /nfs/dbraw/zinc/65/25/61/623652561.db2.gz JAIKWANAOYOSEU-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007495136 623652564 /nfs/dbraw/zinc/65/25/64/623652564.db2.gz JAIKWANAOYOSEU-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001018633689 623700729 /nfs/dbraw/zinc/70/07/29/623700729.db2.gz ZDAYVTVUQCKZDE-KOLCDFICSA-N 1 2 289.339 0.797 20 30 CCEDLO C#CC[N@@H+](C[C@H](OCC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000859188419 624501741 /nfs/dbraw/zinc/50/17/41/624501741.db2.gz OOQUXOLOJUAJCX-KBPBESRZSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@H](OCC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000859188419 624501743 /nfs/dbraw/zinc/50/17/43/624501743.db2.gz OOQUXOLOJUAJCX-KBPBESRZSA-N 1 2 285.409 0.924 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000969992450 624570180 /nfs/dbraw/zinc/57/01/80/624570180.db2.gz MLNOEELQVWHALY-NWDGAFQWSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000289279054 624720819 /nfs/dbraw/zinc/72/08/19/624720819.db2.gz XAEKZOQZLGLJEB-LBPRGKRZSA-N 1 2 279.365 0.603 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001021447558 624735085 /nfs/dbraw/zinc/73/50/85/624735085.db2.gz PXDXXWNJFYHMQG-YHWZYXNKSA-N 1 2 287.367 0.896 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027597528 630795325 /nfs/dbraw/zinc/79/53/25/630795325.db2.gz LHIIFVGIEGSOMD-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978360029 630803726 /nfs/dbraw/zinc/80/37/26/630803726.db2.gz MCHPXPZFRZEDHM-CYUUQNCZSA-N 1 2 299.378 0.263 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001027814388 630941907 /nfs/dbraw/zinc/94/19/07/630941907.db2.gz MJVJUSUDARLTFN-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001027814388 630941913 /nfs/dbraw/zinc/94/19/13/630941913.db2.gz MJVJUSUDARLTFN-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981807000 631321359 /nfs/dbraw/zinc/32/13/59/631321359.db2.gz SVQYWZLMJMYSRA-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981807000 631321362 /nfs/dbraw/zinc/32/13/62/631321362.db2.gz SVQYWZLMJMYSRA-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO Cc1nn(C)c(C[NH2+][C@H]2CCCN(O)C2=O)c1Cl ZINC000895196228 632019994 /nfs/dbraw/zinc/01/99/94/632019994.db2.gz JBHGVXJDSXFETB-QMMMGPOBSA-N 1 2 272.736 0.852 20 30 CCEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000896956097 632368653 /nfs/dbraw/zinc/36/86/53/632368653.db2.gz OPMWUFBCXOUHNK-HNNXBMFYSA-N 1 2 298.390 0.905 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@H]3COC[C@H]3O2)nn1 ZINC000900624556 634057393 /nfs/dbraw/zinc/05/73/93/634057393.db2.gz YVDDXMQWJAENIK-KWCYVHTRSA-N 1 2 276.340 0.195 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001009076202 650137025 /nfs/dbraw/zinc/13/70/25/650137025.db2.gz XMKZKBRSWXHUAD-CYBMUJFWSA-N 1 2 287.363 0.901 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001009076202 650137026 /nfs/dbraw/zinc/13/70/26/650137026.db2.gz XMKZKBRSWXHUAD-CYBMUJFWSA-N 1 2 287.363 0.901 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ncc(Br)cc2O)N1 ZINC000901216939 634210852 /nfs/dbraw/zinc/21/08/52/634210852.db2.gz UDPDSOINDVYCBZ-LURJTMIESA-N 1 2 298.144 0.821 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089240 635074601 /nfs/dbraw/zinc/07/46/01/635074601.db2.gz KSSDYLAMJYUBRW-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089240 635074606 /nfs/dbraw/zinc/07/46/06/635074606.db2.gz KSSDYLAMJYUBRW-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010502894 650234378 /nfs/dbraw/zinc/23/43/78/650234378.db2.gz ZKGGWBZOMMRVRM-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010502894 650234383 /nfs/dbraw/zinc/23/43/83/650234383.db2.gz ZKGGWBZOMMRVRM-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897738 636694189 /nfs/dbraw/zinc/69/41/89/636694189.db2.gz WNUYGVMXZKHYNY-NSHDSACASA-N 1 2 267.329 0.101 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897738 636694196 /nfs/dbraw/zinc/69/41/96/636694196.db2.gz WNUYGVMXZKHYNY-NSHDSACASA-N 1 2 267.329 0.101 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)co1 ZINC000913440111 636806902 /nfs/dbraw/zinc/80/69/02/636806902.db2.gz PBZYOOIKTLUZHO-LBPRGKRZSA-N 1 2 271.280 0.661 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000589301410 636897569 /nfs/dbraw/zinc/89/75/69/636897569.db2.gz BVQXQNFXSOLAHV-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1N(CC#N)CC2 ZINC000992436513 637407915 /nfs/dbraw/zinc/40/79/15/637407915.db2.gz WMMKKQNBEQTHLI-HIFRSBDPSA-N 1 2 287.367 0.599 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015619520 637752903 /nfs/dbraw/zinc/75/29/03/637752903.db2.gz APCJDUCJBUPMIT-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015619520 637752907 /nfs/dbraw/zinc/75/29/07/637752907.db2.gz APCJDUCJBUPMIT-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)[C@@H]1C ZINC000994342336 637921272 /nfs/dbraw/zinc/92/12/72/637921272.db2.gz AHDNQTDOZLOAMU-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)[C@@H]1C ZINC000994342336 637921275 /nfs/dbraw/zinc/92/12/75/637921275.db2.gz AHDNQTDOZLOAMU-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO COCCOCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000179639101 638235828 /nfs/dbraw/zinc/23/58/28/638235828.db2.gz CWLGLURYOQGVCF-UHFFFAOYSA-N 1 2 268.313 0.995 20 30 CCEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC000939535058 638375754 /nfs/dbraw/zinc/37/57/54/638375754.db2.gz OVAADMJQPCKHAL-MNOVXSKESA-N 1 2 275.356 0.647 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000182622833 638496177 /nfs/dbraw/zinc/49/61/77/638496177.db2.gz QFLKCZBNLCLBNG-UHFFFAOYSA-N 1 2 253.302 0.653 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000182622833 638496180 /nfs/dbraw/zinc/49/61/80/638496180.db2.gz QFLKCZBNLCLBNG-UHFFFAOYSA-N 1 2 253.302 0.653 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000995533705 638773808 /nfs/dbraw/zinc/77/38/08/638773808.db2.gz FFKFMKWQEOMYJP-SNVBAGLBSA-N 1 2 297.318 0.435 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(NCC#N)CC1 ZINC000997238787 638860448 /nfs/dbraw/zinc/86/04/48/638860448.db2.gz YSDBUICHYZBZHE-UHFFFAOYSA-N 1 2 275.356 0.457 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000998758171 638939573 /nfs/dbraw/zinc/93/95/73/638939573.db2.gz ZRFPFJLEWFFEJY-WDEREUQCSA-N 1 2 291.355 0.872 20 30 CCEDLO C[C@@H](CC(=O)N1CCC[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC001000336520 639073290 /nfs/dbraw/zinc/07/32/90/639073290.db2.gz NYYDGNNYHRYWJG-QWHCGFSZSA-N 1 2 275.356 0.938 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014618708 650468508 /nfs/dbraw/zinc/46/85/08/650468508.db2.gz SBZCQKARQMMNPX-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014618708 650468510 /nfs/dbraw/zinc/46/85/10/650468510.db2.gz SBZCQKARQMMNPX-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001014633590 650470307 /nfs/dbraw/zinc/47/03/07/650470307.db2.gz NWXAKCMCDVWMAG-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001014633590 650470309 /nfs/dbraw/zinc/47/03/09/650470309.db2.gz NWXAKCMCDVWMAG-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000881524 639183334 /nfs/dbraw/zinc/18/33/34/639183334.db2.gz YCDWRAUWAVHOIU-AWEZNQCLSA-N 1 2 299.378 0.717 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002784032 639457172 /nfs/dbraw/zinc/45/71/72/639457172.db2.gz XRUYGPGLCFDAQX-GHMZBOCLSA-N 1 2 287.747 0.985 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003063246 639501827 /nfs/dbraw/zinc/50/18/27/639501827.db2.gz CIVRXUGUSGTFHR-VXGBXAGGSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003063246 639501830 /nfs/dbraw/zinc/50/18/30/639501830.db2.gz CIVRXUGUSGTFHR-VXGBXAGGSA-N 1 2 273.340 0.617 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001015002304 650513736 /nfs/dbraw/zinc/51/37/36/650513736.db2.gz AMBGVBCZQCZPMN-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001015002304 650513740 /nfs/dbraw/zinc/51/37/40/650513740.db2.gz AMBGVBCZQCZPMN-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015377665 650560342 /nfs/dbraw/zinc/56/03/42/650560342.db2.gz SPUZKWDJXVHKQQ-MFKMUULPSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015377665 650560348 /nfs/dbraw/zinc/56/03/48/650560348.db2.gz SPUZKWDJXVHKQQ-MFKMUULPSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@H]1CC(=NNCCC[NH+]2CCOCC2)CN1C ZINC000799488305 640577451 /nfs/dbraw/zinc/57/74/51/640577451.db2.gz DSTVWYAWQPMMNW-LBPRGKRZSA-N 1 2 254.378 0.378 20 30 CCEDLO C#CCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000802579233 640699162 /nfs/dbraw/zinc/69/91/62/640699162.db2.gz LXSASSDRJXBGLN-UHFFFAOYSA-N 1 2 274.324 0.486 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001015661479 650603262 /nfs/dbraw/zinc/60/32/62/650603262.db2.gz BGYOHWSJEDJFBL-NSHDSACASA-N 1 2 265.357 0.279 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001015661479 650603263 /nfs/dbraw/zinc/60/32/63/650603263.db2.gz BGYOHWSJEDJFBL-NSHDSACASA-N 1 2 265.357 0.279 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804334160 640764455 /nfs/dbraw/zinc/76/44/55/640764455.db2.gz ZHHAKDULFLYSHG-UKRRQHHQSA-N 1 2 296.330 0.919 20 30 CCEDLO Nc1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000807939590 640842980 /nfs/dbraw/zinc/84/29/80/640842980.db2.gz PCXMRTWNJKGCCV-UHFFFAOYSA-N 1 2 291.336 0.757 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015873869 650644164 /nfs/dbraw/zinc/64/41/64/650644164.db2.gz MMUGZLNVXMCLNN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015873869 650644167 /nfs/dbraw/zinc/64/41/67/650644167.db2.gz MMUGZLNVXMCLNN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015873869 650644169 /nfs/dbraw/zinc/64/41/69/650644169.db2.gz MMUGZLNVXMCLNN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015873869 650644171 /nfs/dbraw/zinc/64/41/71/650644171.db2.gz MMUGZLNVXMCLNN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000825010267 641858699 /nfs/dbraw/zinc/85/86/99/641858699.db2.gz OXJPUKSGPVFUFJ-KGLIPLIRSA-N 1 2 293.367 0.238 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCOC1 ZINC001017433267 650802448 /nfs/dbraw/zinc/80/24/48/650802448.db2.gz YUHXDPHLLXHSFS-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCOC1 ZINC001017433267 650802451 /nfs/dbraw/zinc/80/24/51/650802451.db2.gz YUHXDPHLLXHSFS-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@H]1CCOC1 ZINC001017549921 650810960 /nfs/dbraw/zinc/81/09/60/650810960.db2.gz OXHYWWPRIGYLPG-ZNMIVQPWSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@H]1CCOC1 ZINC001017549921 650810962 /nfs/dbraw/zinc/81/09/62/650810962.db2.gz OXHYWWPRIGYLPG-ZNMIVQPWSA-N 1 2 292.379 0.490 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(OC)cn1 ZINC001017720975 650819338 /nfs/dbraw/zinc/81/93/38/650819338.db2.gz QBDQJLWIGQGWHL-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(OC)cn1 ZINC001017720975 650819341 /nfs/dbraw/zinc/81/93/41/650819341.db2.gz QBDQJLWIGQGWHL-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCOC1 ZINC001017847471 650826305 /nfs/dbraw/zinc/82/63/05/650826305.db2.gz PCDFZLNRQJZZIS-GUTXKFCHSA-N 1 2 280.343 0.814 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCOC1 ZINC001017847471 650826307 /nfs/dbraw/zinc/82/63/07/650826307.db2.gz PCDFZLNRQJZZIS-GUTXKFCHSA-N 1 2 280.343 0.814 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998612 650839008 /nfs/dbraw/zinc/83/90/08/650839008.db2.gz PUHUULSEAUNYTR-TXEJJXNPSA-N 1 2 259.313 0.151 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccccc1=O ZINC001018257548 650850555 /nfs/dbraw/zinc/85/05/55/650850555.db2.gz YTHHGQGRXPZXDJ-GASCZTMLSA-N 1 2 299.374 0.547 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccccc1=O ZINC001018257548 650850558 /nfs/dbraw/zinc/85/05/58/650850558.db2.gz YTHHGQGRXPZXDJ-GASCZTMLSA-N 1 2 299.374 0.547 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)nn1 ZINC001018184773 650847411 /nfs/dbraw/zinc/84/74/11/650847411.db2.gz BUBUWTAOBXNSAD-BETUJISGSA-N 1 2 299.378 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)nn1 ZINC001018184773 650847413 /nfs/dbraw/zinc/84/74/13/650847413.db2.gz BUBUWTAOBXNSAD-BETUJISGSA-N 1 2 299.378 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018271647 650851448 /nfs/dbraw/zinc/85/14/48/650851448.db2.gz UWJZXZBQNFOVHU-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018271647 650851451 /nfs/dbraw/zinc/85/14/51/650851451.db2.gz UWJZXZBQNFOVHU-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nonc1C ZINC001018339630 650854197 /nfs/dbraw/zinc/85/41/97/650854197.db2.gz XSMCKASZGAPTCB-PHIMTYICSA-N 1 2 262.313 0.853 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nonc1C ZINC001018339630 650854199 /nfs/dbraw/zinc/85/41/99/650854199.db2.gz XSMCKASZGAPTCB-PHIMTYICSA-N 1 2 262.313 0.853 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)CC1 ZINC001018357273 650854637 /nfs/dbraw/zinc/85/46/37/650854637.db2.gz DEFDAROIFDPGGY-CQSZACIVSA-N 1 2 293.411 0.965 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ncns2)CC1 ZINC000852127949 643932137 /nfs/dbraw/zinc/93/21/37/643932137.db2.gz ZKSVQXPGWINZEN-SNVBAGLBSA-N 1 2 267.358 0.589 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018629841 650886362 /nfs/dbraw/zinc/88/63/62/650886362.db2.gz BBUFHAJUQKQXLT-WPRPVWTQSA-N 1 2 263.301 0.228 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865189362 645336298 /nfs/dbraw/zinc/33/62/98/645336298.db2.gz GOWOZPHXSJUNGC-NSHDSACASA-N 1 2 293.392 0.953 20 30 CCEDLO N#CCCN(CC[C@@H]1CCOC1=O)CC[NH+]1CCOCC1 ZINC000120729359 645417012 /nfs/dbraw/zinc/41/70/12/645417012.db2.gz ZHTJHYSKYGJVOD-CQSZACIVSA-N 1 2 295.383 0.487 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1ncncc1C#N ZINC000872773450 646321422 /nfs/dbraw/zinc/32/14/22/646321422.db2.gz LFWJFZPAXFSCTM-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1ncncc1C#N ZINC000872773450 646321424 /nfs/dbraw/zinc/32/14/24/646321424.db2.gz LFWJFZPAXFSCTM-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cn3cnnc3)CC2)cn1 ZINC000872793214 646325766 /nfs/dbraw/zinc/32/57/66/646325766.db2.gz OZUWKJPYYPYXJB-UHFFFAOYSA-N 1 2 269.312 0.324 20 30 CCEDLO N#CCC1(C[N@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)CC1 ZINC000879723910 647101429 /nfs/dbraw/zinc/10/14/29/647101429.db2.gz CHECSEWAELPUSQ-NWDGAFQWSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCC1(C[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)CC1 ZINC000879723910 647101436 /nfs/dbraw/zinc/10/14/36/647101436.db2.gz CHECSEWAELPUSQ-NWDGAFQWSA-N 1 2 263.341 0.660 20 30 CCEDLO Cc1nc(C#N)cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000882350613 647401529 /nfs/dbraw/zinc/40/15/29/647401529.db2.gz HHHBSYHAZGVCMN-FZMZJTMJSA-N 1 2 287.367 0.956 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(F)cc(F)c2O)N1 ZINC000884447707 647740478 /nfs/dbraw/zinc/74/04/78/647740478.db2.gz GZEVFXNHKFUDBY-ZCFIWIBFSA-N 1 2 254.240 0.942 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000887673017 648138073 /nfs/dbraw/zinc/13/80/73/648138073.db2.gz MUZVWJDIXGSAFA-FZMZJTMJSA-N 1 2 274.324 0.587 20 30 CCEDLO Cc1cc(C)nc(N2CC[NH+](C[C@H](O)CC#N)CC2)n1 ZINC000930056446 648815727 /nfs/dbraw/zinc/81/57/27/648815727.db2.gz YYXAYPWNMWHQMR-CYBMUJFWSA-N 1 2 275.356 0.490 20 30 CCEDLO C[Si](C)(C)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933118795 649112244 /nfs/dbraw/zinc/11/22/44/649112244.db2.gz XTUQDFUUNOEBCE-GHMZBOCLSA-N 1 2 272.446 0.734 20 30 CCEDLO C[Si](C)(C)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933118795 649112247 /nfs/dbraw/zinc/11/22/47/649112247.db2.gz XTUQDFUUNOEBCE-GHMZBOCLSA-N 1 2 272.446 0.734 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718599 649488709 /nfs/dbraw/zinc/48/87/09/649488709.db2.gz SLJNKEHZPKPCND-DFBGVHRSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718599 649488710 /nfs/dbraw/zinc/48/87/10/649488710.db2.gz SLJNKEHZPKPCND-DFBGVHRSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)/N=C/c1ccc(O)c(O)c1O ZINC000193334586 649534469 /nfs/dbraw/zinc/53/44/69/649534469.db2.gz SIWNCWLOTJVWLA-XBLUXWHVSA-N 1 2 280.324 0.943 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001266281313 790390594 /nfs/dbraw/zinc/39/05/94/790390594.db2.gz LPNKFRIRHIQQHA-HUUCEWRRSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266299724 790460496 /nfs/dbraw/zinc/46/04/96/790460496.db2.gz XBHXBYASRSPJHG-RYUDHWBXSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266299724 790460499 /nfs/dbraw/zinc/46/04/99/790460499.db2.gz XBHXBYASRSPJHG-RYUDHWBXSA-N 1 2 289.335 0.222 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308459 790482727 /nfs/dbraw/zinc/48/27/27/790482727.db2.gz WNSVEFFNTJOOLB-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308459 790482730 /nfs/dbraw/zinc/48/27/30/790482730.db2.gz WNSVEFFNTJOOLB-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001266317347 790494221 /nfs/dbraw/zinc/49/42/21/790494221.db2.gz QCUJZGXDSPDERI-LBPRGKRZSA-N 1 2 275.356 0.309 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001266317347 790494224 /nfs/dbraw/zinc/49/42/24/790494224.db2.gz QCUJZGXDSPDERI-LBPRGKRZSA-N 1 2 275.356 0.309 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325534 790508514 /nfs/dbraw/zinc/50/85/14/790508514.db2.gz PDSDELFZCQAOKI-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325534 790508526 /nfs/dbraw/zinc/50/85/26/790508526.db2.gz PDSDELFZCQAOKI-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)CC(C)C ZINC001266347604 790558519 /nfs/dbraw/zinc/55/85/19/790558519.db2.gz OEBQSTKKFDDEIK-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)CC(C)C ZINC001266347604 790558528 /nfs/dbraw/zinc/55/85/28/790558528.db2.gz OEBQSTKKFDDEIK-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266399069 790636547 /nfs/dbraw/zinc/63/65/47/790636547.db2.gz JILKWCOEUUSHHF-LBPRGKRZSA-N 1 2 275.356 0.407 20 30 CCEDLO Cn1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)n1 ZINC001266460731 790754965 /nfs/dbraw/zinc/75/49/65/790754965.db2.gz CGHOFZKVWLNOEL-HNNXBMFYSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)n1 ZINC001266460731 790754973 /nfs/dbraw/zinc/75/49/73/790754973.db2.gz CGHOFZKVWLNOEL-HNNXBMFYSA-N 1 2 286.379 0.914 20 30 CCEDLO C#CCCCC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001266684475 791135414 /nfs/dbraw/zinc/13/54/14/791135414.db2.gz SPKRBLGINAVTCO-UHFFFAOYSA-N 1 2 264.329 0.730 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCSC ZINC001230705977 805653491 /nfs/dbraw/zinc/65/34/91/805653491.db2.gz QIMHSPWMQMSMPZ-LBPRGKRZSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCSC ZINC001230705977 805653494 /nfs/dbraw/zinc/65/34/94/805653494.db2.gz QIMHSPWMQMSMPZ-LBPRGKRZSA-N 1 2 299.440 0.574 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cccn1 ZINC001230772061 805663639 /nfs/dbraw/zinc/66/36/39/805663639.db2.gz BDTIYJVKHJOCAT-AWEZNQCLSA-N 1 2 290.367 0.066 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cccn1 ZINC001230772061 805663641 /nfs/dbraw/zinc/66/36/41/805663641.db2.gz BDTIYJVKHJOCAT-AWEZNQCLSA-N 1 2 290.367 0.066 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798376 805668955 /nfs/dbraw/zinc/66/89/55/805668955.db2.gz RZZXKIBMAXXRQF-KBPBESRZSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798376 805668961 /nfs/dbraw/zinc/66/89/61/805668961.db2.gz RZZXKIBMAXXRQF-KBPBESRZSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC=C ZINC001231113917 805732449 /nfs/dbraw/zinc/73/24/49/805732449.db2.gz JPYXFYCEXGBTMA-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC=C ZINC001231113917 805732451 /nfs/dbraw/zinc/73/24/51/805732451.db2.gz JPYXFYCEXGBTMA-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231137650 805737354 /nfs/dbraw/zinc/73/73/54/805737354.db2.gz CAHNHODKOWGKMZ-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231137650 805737358 /nfs/dbraw/zinc/73/73/58/805737358.db2.gz CAHNHODKOWGKMZ-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231137644 805737494 /nfs/dbraw/zinc/73/74/94/805737494.db2.gz CAHNHODKOWGKMZ-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231137644 805737499 /nfs/dbraw/zinc/73/74/99/805737499.db2.gz CAHNHODKOWGKMZ-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231137648 805737909 /nfs/dbraw/zinc/73/79/09/805737909.db2.gz CAHNHODKOWGKMZ-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231137648 805737915 /nfs/dbraw/zinc/73/79/15/805737915.db2.gz CAHNHODKOWGKMZ-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC(N)=O ZINC001231398474 805788024 /nfs/dbraw/zinc/78/80/24/805788024.db2.gz IBDCUWAAHYHPOB-HNNXBMFYSA-N 1 2 299.374 0.446 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC(N)=O ZINC001231398474 805788030 /nfs/dbraw/zinc/78/80/30/805788030.db2.gz IBDCUWAAHYHPOB-HNNXBMFYSA-N 1 2 299.374 0.446 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001277593765 805876165 /nfs/dbraw/zinc/87/61/65/805876165.db2.gz MJHBEURLZNCHDC-LLVKDONJSA-N 1 2 250.342 0.577 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386787 806052465 /nfs/dbraw/zinc/05/24/65/806052465.db2.gz ISOXATNSPPHCQR-JTQLQIEISA-N 1 2 259.309 0.926 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233489228 806064692 /nfs/dbraw/zinc/06/46/92/806064692.db2.gz KAAURRFLFHMDMJ-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233489228 806064702 /nfs/dbraw/zinc/06/47/02/806064702.db2.gz KAAURRFLFHMDMJ-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001100589800 791603153 /nfs/dbraw/zinc/60/31/53/791603153.db2.gz SLYWHMZBHONDHN-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001267188954 791644733 /nfs/dbraw/zinc/64/47/33/791644733.db2.gz UPRKZVVYMLCEEN-UHFFFAOYSA-N 1 2 269.389 0.915 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001267188954 791644741 /nfs/dbraw/zinc/64/47/41/791644741.db2.gz UPRKZVVYMLCEEN-UHFFFAOYSA-N 1 2 269.389 0.915 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233683558 806107758 /nfs/dbraw/zinc/10/77/58/806107758.db2.gz RUHKIKGUPCZVAA-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233683558 806107764 /nfs/dbraw/zinc/10/77/64/806107764.db2.gz RUHKIKGUPCZVAA-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC#C ZINC001233946879 806154994 /nfs/dbraw/zinc/15/49/94/806154994.db2.gz FKLWOCVOHIWRCM-AWEZNQCLSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC#C ZINC001233946879 806155000 /nfs/dbraw/zinc/15/50/00/806155000.db2.gz FKLWOCVOHIWRCM-AWEZNQCLSA-N 1 2 289.379 0.072 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233977780 806160948 /nfs/dbraw/zinc/16/09/48/806160948.db2.gz PDDUFLWUBUSVLF-DGCLKSJQSA-N 1 2 258.337 0.816 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233977780 806160951 /nfs/dbraw/zinc/16/09/51/806160951.db2.gz PDDUFLWUBUSVLF-DGCLKSJQSA-N 1 2 258.337 0.816 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234079582 806179868 /nfs/dbraw/zinc/17/98/68/806179868.db2.gz YWFOGZVBXVTLLT-NEPJUHHUSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001234079582 806179872 /nfs/dbraw/zinc/17/98/72/806179872.db2.gz YWFOGZVBXVTLLT-NEPJUHHUSA-N 1 2 286.322 0.824 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234163075 806194226 /nfs/dbraw/zinc/19/42/26/806194226.db2.gz XMNTXCJAISUVBO-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234163075 806194230 /nfs/dbraw/zinc/19/42/30/806194230.db2.gz XMNTXCJAISUVBO-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038256434 793261605 /nfs/dbraw/zinc/26/16/05/793261605.db2.gz GSVQVRZJNLNYHU-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038256434 793261615 /nfs/dbraw/zinc/26/16/15/793261615.db2.gz GSVQVRZJNLNYHU-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234445129 806243768 /nfs/dbraw/zinc/24/37/68/806243768.db2.gz KEOHADLIBKPLKN-CYBMUJFWSA-N 1 2 290.367 0.463 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234445129 806243778 /nfs/dbraw/zinc/24/37/78/806243778.db2.gz KEOHADLIBKPLKN-CYBMUJFWSA-N 1 2 290.367 0.463 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234604845 806284245 /nfs/dbraw/zinc/28/42/45/806284245.db2.gz WTZVYPFSLNRPJR-VXGBXAGGSA-N 1 2 267.373 0.749 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234604845 806284252 /nfs/dbraw/zinc/28/42/52/806284252.db2.gz WTZVYPFSLNRPJR-VXGBXAGGSA-N 1 2 267.373 0.749 20 30 CCEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCC#N ZINC001277939464 806412407 /nfs/dbraw/zinc/41/24/07/806412407.db2.gz SYSJJDIBHWYNDI-OKILXGFUSA-N 1 2 289.383 0.702 20 30 CCEDLO CCn1ccnc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCC#N ZINC001277939464 806412410 /nfs/dbraw/zinc/41/24/10/806412410.db2.gz SYSJJDIBHWYNDI-OKILXGFUSA-N 1 2 289.383 0.702 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001235480605 806430622 /nfs/dbraw/zinc/43/06/22/806430622.db2.gz NTNVKGQYDRIEOR-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001235480605 806430630 /nfs/dbraw/zinc/43/06/30/806430630.db2.gz NTNVKGQYDRIEOR-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1csc(C)n1 ZINC001278072691 806651357 /nfs/dbraw/zinc/65/13/57/806651357.db2.gz VMQTXCSIRTUIGG-LBPRGKRZSA-N 1 2 295.408 0.822 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001121279700 799026578 /nfs/dbraw/zinc/02/65/78/799026578.db2.gz XAXDVYQITHRJJE-SMDDNHRTSA-N 1 2 279.388 0.739 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001121279700 799026585 /nfs/dbraw/zinc/02/65/85/799026585.db2.gz XAXDVYQITHRJJE-SMDDNHRTSA-N 1 2 279.388 0.739 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001121509448 799053714 /nfs/dbraw/zinc/05/37/14/799053714.db2.gz GEUFOVKKWFLBTP-OLZOCXBDSA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001121509448 799053719 /nfs/dbraw/zinc/05/37/19/799053719.db2.gz GEUFOVKKWFLBTP-OLZOCXBDSA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001123695145 799456643 /nfs/dbraw/zinc/45/66/43/799456643.db2.gz QKFPHLDNXGJVEI-GFCCVEGCSA-N 1 2 276.340 0.697 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)CCc1[nH+]ccn1C ZINC001123844001 799485531 /nfs/dbraw/zinc/48/55/31/799485531.db2.gz UYWNTLNGUWMNLX-LBPRGKRZSA-N 1 2 263.341 0.897 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)CCc1[nH+]ccn1C ZINC001123844000 799485652 /nfs/dbraw/zinc/48/56/52/799485652.db2.gz UYWNTLNGUWMNLX-GFCCVEGCSA-N 1 2 263.341 0.897 20 30 CCEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001276397048 799778001 /nfs/dbraw/zinc/77/80/01/799778001.db2.gz MNGBMZXDGIAHAL-MNOVXSKESA-N 1 2 288.413 0.432 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nccnc2N)C1 ZINC001140016758 799870505 /nfs/dbraw/zinc/87/05/05/799870505.db2.gz WWWKDMIIRTZIQW-NSHDSACASA-N 1 2 291.355 0.935 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2nccnc2N)C1 ZINC001140016758 799870513 /nfs/dbraw/zinc/87/05/13/799870513.db2.gz WWWKDMIIRTZIQW-NSHDSACASA-N 1 2 291.355 0.935 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209435 799980740 /nfs/dbraw/zinc/98/07/40/799980740.db2.gz LMQFYMOMPQLQRC-NSHDSACASA-N 1 2 261.329 0.065 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1C#N ZINC001141932119 800047991 /nfs/dbraw/zinc/04/79/91/800047991.db2.gz SYYHHXJWMHWDKG-WCQYABFASA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1C#N ZINC001141932119 800048000 /nfs/dbraw/zinc/04/80/00/800048000.db2.gz SYYHHXJWMHWDKG-WCQYABFASA-N 1 2 293.392 0.850 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@H]2CC3CC[NH+]2CC3)c(C#C)n1 ZINC001142626896 800140299 /nfs/dbraw/zinc/14/02/99/800140299.db2.gz YHVCNOSCXFSEND-CQSZACIVSA-N 1 2 280.331 0.862 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001153135404 800600139 /nfs/dbraw/zinc/60/01/39/800600139.db2.gz SIIKCKQDUWCFRR-GFCCVEGCSA-N 1 2 278.356 0.582 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134357 800726085 /nfs/dbraw/zinc/72/60/85/800726085.db2.gz ADMOBBFZRRZOFZ-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134357 800726089 /nfs/dbraw/zinc/72/60/89/800726089.db2.gz ADMOBBFZRRZOFZ-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154134357 800726091 /nfs/dbraw/zinc/72/60/91/800726091.db2.gz ADMOBBFZRRZOFZ-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154134357 800726096 /nfs/dbraw/zinc/72/60/96/800726096.db2.gz ADMOBBFZRRZOFZ-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC001156243493 801138723 /nfs/dbraw/zinc/13/87/23/801138723.db2.gz WTOKTMVAHKJZLS-WPRPVWTQSA-N 1 2 291.267 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001156242595 801139267 /nfs/dbraw/zinc/13/92/67/801139267.db2.gz KCFPEYPYHQXRFM-IUCAKERBSA-N 1 2 291.267 0.177 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3cnc(C)cc3n2)CC1 ZINC001156427359 801166151 /nfs/dbraw/zinc/16/61/51/801166151.db2.gz SUWRTGBGZWEVGR-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(Cl)cc2C#N)C[NH2+]1 ZINC001158254678 801604996 /nfs/dbraw/zinc/60/49/96/801604996.db2.gz HTPKXSNJWCQQEK-ZJUUUORDSA-N 1 2 280.715 0.922 20 30 CCEDLO C=CCC(CC=C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001158746895 801697455 /nfs/dbraw/zinc/69/74/55/801697455.db2.gz LBZRSSVKXYOSGJ-UHFFFAOYSA-N 1 2 292.387 0.574 20 30 CCEDLO COC(=O)c1cc(C#N)cnc1Nc1nccnc1C[NH3+] ZINC001160249882 801924103 /nfs/dbraw/zinc/92/41/03/801924103.db2.gz FZLNMWGVRFIFPL-UHFFFAOYSA-N 1 2 284.279 0.732 20 30 CCEDLO Cc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc(C#N)n1 ZINC001162853731 802429683 /nfs/dbraw/zinc/42/96/83/802429683.db2.gz DBCCFJNHTFHMDN-VIFPVBQESA-N 1 2 277.328 0.160 20 30 CCEDLO Cc1cnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c(C#N)n1 ZINC001162854266 802430375 /nfs/dbraw/zinc/43/03/75/802430375.db2.gz KPYRIEGTCBFSQU-VIFPVBQESA-N 1 2 277.328 0.738 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1(O)C[NH+](CC=C(C)C)C1 ZINC001278857462 808343765 /nfs/dbraw/zinc/34/37/65/808343765.db2.gz NJABPVXHKZJYSO-AWEZNQCLSA-N 1 2 282.384 0.443 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCCNCC#N ZINC001163275167 802526700 /nfs/dbraw/zinc/52/67/00/802526700.db2.gz RZIARSZJEFSTPL-CYBMUJFWSA-N 1 2 282.388 0.107 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCCNCC#N ZINC001163275167 802526708 /nfs/dbraw/zinc/52/67/08/802526708.db2.gz RZIARSZJEFSTPL-CYBMUJFWSA-N 1 2 282.388 0.107 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCc1[nH+]ccn1C ZINC001264366623 809644383 /nfs/dbraw/zinc/64/43/83/809644383.db2.gz INANUIPSDICOLJ-GFCCVEGCSA-N 1 2 275.356 0.409 20 30 CCEDLO Cc1ccc(CC#N)c(N2CC(=O)N(C3CC3)C(=O)C2)[nH+]1 ZINC001164186524 802685350 /nfs/dbraw/zinc/68/53/50/802685350.db2.gz ATSOBYQFMQPNTR-UHFFFAOYSA-N 1 2 284.319 0.794 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164223943 802691401 /nfs/dbraw/zinc/69/14/01/802691401.db2.gz YJMRKGBANHBSNV-GHMZBOCLSA-N 1 2 280.376 0.264 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC001164308982 802717865 /nfs/dbraw/zinc/71/78/65/802717865.db2.gz WTGXZOJNMXFROA-CABZTGNLSA-N 1 2 290.279 0.782 20 30 CCEDLO COC(=O)Cc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164640498 802774359 /nfs/dbraw/zinc/77/43/59/802774359.db2.gz AULFBXJWCGQUAC-LLVKDONJSA-N 1 2 260.297 0.099 20 30 CCEDLO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737720 811711749 /nfs/dbraw/zinc/71/17/49/811711749.db2.gz ZNZMWRJZDKLGOJ-GFCCVEGCSA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737720 811711753 /nfs/dbraw/zinc/71/17/53/811711753.db2.gz ZNZMWRJZDKLGOJ-GFCCVEGCSA-N 1 2 294.380 0.930 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)C1 ZINC001167007785 803011133 /nfs/dbraw/zinc/01/11/33/803011133.db2.gz PHBMLBMAGNXSTG-STQMWFEESA-N 1 2 299.378 0.780 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001167007785 803011138 /nfs/dbraw/zinc/01/11/38/803011138.db2.gz PHBMLBMAGNXSTG-STQMWFEESA-N 1 2 299.378 0.780 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001276413142 803034742 /nfs/dbraw/zinc/03/47/42/803034742.db2.gz BMSNMNHKJWRXRO-LLVKDONJSA-N 1 2 281.400 0.771 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1CCCC1 ZINC001205709874 803162885 /nfs/dbraw/zinc/16/28/85/803162885.db2.gz DKFFERATWJURCT-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1CCCC1 ZINC001205709874 803162887 /nfs/dbraw/zinc/16/28/87/803162887.db2.gz DKFFERATWJURCT-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001207684676 803437812 /nfs/dbraw/zinc/43/78/12/803437812.db2.gz RNUWFLMQZQAQNS-NSHDSACASA-N 1 2 296.396 0.821 20 30 CCEDLO C=CCN(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)C(=O)OCC ZINC001209022202 803564443 /nfs/dbraw/zinc/56/44/43/803564443.db2.gz JDFDCDKLDHUUTP-CYBMUJFWSA-N 1 2 295.383 0.938 20 30 CCEDLO C=CCN(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)C(=O)OCC ZINC001209022202 803564447 /nfs/dbraw/zinc/56/44/47/803564447.db2.gz JDFDCDKLDHUUTP-CYBMUJFWSA-N 1 2 295.383 0.938 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC001209690641 803623053 /nfs/dbraw/zinc/62/30/53/803623053.db2.gz MMNSTJMAUKSGRI-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC001209690641 803623057 /nfs/dbraw/zinc/62/30/57/803623057.db2.gz MMNSTJMAUKSGRI-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728761 814953890 /nfs/dbraw/zinc/95/38/90/814953890.db2.gz KSBZTEGBQRVVOD-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001214581994 803752138 /nfs/dbraw/zinc/75/21/38/803752138.db2.gz DKWZEYKSXTZUET-DGCLKSJQSA-N 1 2 290.367 0.974 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC(C)=O)[C@H]2C1 ZINC001217285274 803882559 /nfs/dbraw/zinc/88/25/59/803882559.db2.gz BDZBEHYSXMGOCU-UONOGXRCSA-N 1 2 280.368 0.843 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC(C)=O)[C@H]2C1 ZINC001217285274 803882567 /nfs/dbraw/zinc/88/25/67/803882567.db2.gz BDZBEHYSXMGOCU-UONOGXRCSA-N 1 2 280.368 0.843 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OC)[C@H]2C1 ZINC001218428914 803957255 /nfs/dbraw/zinc/95/72/55/803957255.db2.gz ILQHCSFXTVOFMF-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OC)[C@H]2C1 ZINC001218428914 803957261 /nfs/dbraw/zinc/95/72/61/803957261.db2.gz ILQHCSFXTVOFMF-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO CC[C@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218431262 803957553 /nfs/dbraw/zinc/95/75/53/803957553.db2.gz VYOZYWIVSSVCQH-MELADBBJSA-N 1 2 298.358 0.296 20 30 CCEDLO CC[C@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218431262 803957562 /nfs/dbraw/zinc/95/75/62/803957562.db2.gz VYOZYWIVSSVCQH-MELADBBJSA-N 1 2 298.358 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@@H](O)C1 ZINC001219983989 804466066 /nfs/dbraw/zinc/46/60/66/804466066.db2.gz MWUILRNFSNKSQN-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@@H](O)C1 ZINC001219983989 804466070 /nfs/dbraw/zinc/46/60/70/804466070.db2.gz MWUILRNFSNKSQN-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220141010 804511757 /nfs/dbraw/zinc/51/17/57/804511757.db2.gz GQEZWSJCXPBOHJ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220141010 804511763 /nfs/dbraw/zinc/51/17/63/804511763.db2.gz GQEZWSJCXPBOHJ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)[C@@H](O)C1 ZINC001220666162 804645289 /nfs/dbraw/zinc/64/52/89/804645289.db2.gz NNZWFRHWDJMOMH-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)[C@@H](O)C1 ZINC001220666162 804645292 /nfs/dbraw/zinc/64/52/92/804645292.db2.gz NNZWFRHWDJMOMH-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C=C(C)C[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001272169309 815034991 /nfs/dbraw/zinc/03/49/91/815034991.db2.gz RYIYNMFQVFGBPK-VIFPVBQESA-N 1 2 286.269 0.873 20 30 CCEDLO C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H](F)C(F)(F)F ZINC001272169309 815034998 /nfs/dbraw/zinc/03/49/98/815034998.db2.gz RYIYNMFQVFGBPK-VIFPVBQESA-N 1 2 286.269 0.873 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221147999 804735865 /nfs/dbraw/zinc/73/58/65/804735865.db2.gz NOKRTOODSVQYIW-MJBXVCDLSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221147999 804735870 /nfs/dbraw/zinc/73/58/70/804735870.db2.gz NOKRTOODSVQYIW-MJBXVCDLSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001221276802 804763974 /nfs/dbraw/zinc/76/39/74/804763974.db2.gz MIXZZIKVQNTKAR-BFHYXJOUSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001221276802 804763977 /nfs/dbraw/zinc/76/39/77/804763977.db2.gz MIXZZIKVQNTKAR-BFHYXJOUSA-N 1 2 291.395 0.315 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001221424322 804813718 /nfs/dbraw/zinc/81/37/18/804813718.db2.gz AISISWGJHOCHKA-TZMCWYRMSA-N 1 2 289.383 0.814 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001221424322 804813725 /nfs/dbraw/zinc/81/37/25/804813725.db2.gz AISISWGJHOCHKA-TZMCWYRMSA-N 1 2 289.383 0.814 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221737212 804841595 /nfs/dbraw/zinc/84/15/95/804841595.db2.gz SWEJKTUFKGXWLQ-ZIAGYGMSSA-N 1 2 291.395 0.588 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221737212 804841598 /nfs/dbraw/zinc/84/15/98/804841598.db2.gz SWEJKTUFKGXWLQ-ZIAGYGMSSA-N 1 2 291.395 0.588 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738726 804841775 /nfs/dbraw/zinc/84/17/75/804841775.db2.gz SSVIFPJDLNFQIM-FRRDWIJNSA-N 1 2 295.358 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738726 804841783 /nfs/dbraw/zinc/84/17/83/804841783.db2.gz SSVIFPJDLNFQIM-FRRDWIJNSA-N 1 2 295.358 0.017 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088623691 815040877 /nfs/dbraw/zinc/04/08/77/815040877.db2.gz OTHVCILYWDAHIG-NEPJUHHUSA-N 1 2 290.367 0.352 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088623691 815040883 /nfs/dbraw/zinc/04/08/83/815040883.db2.gz OTHVCILYWDAHIG-NEPJUHHUSA-N 1 2 290.367 0.352 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001276836326 804933307 /nfs/dbraw/zinc/93/33/07/804933307.db2.gz VPHXMAWVKOGZQD-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001276836326 804933309 /nfs/dbraw/zinc/93/33/09/804933309.db2.gz VPHXMAWVKOGZQD-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cccc(OCC)n1 ZINC001276892659 804973452 /nfs/dbraw/zinc/97/34/52/804973452.db2.gz SLUAJDXMBGKYAX-AWEZNQCLSA-N 1 2 287.363 0.847 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc(OCC)n1 ZINC001276892659 804973454 /nfs/dbraw/zinc/97/34/54/804973454.db2.gz SLUAJDXMBGKYAX-AWEZNQCLSA-N 1 2 287.363 0.847 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001276893095 804975114 /nfs/dbraw/zinc/97/51/14/804975114.db2.gz WRJIRDZCCOHMOF-UONOGXRCSA-N 1 2 290.367 0.321 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001276893095 804975122 /nfs/dbraw/zinc/97/51/22/804975122.db2.gz WRJIRDZCCOHMOF-UONOGXRCSA-N 1 2 290.367 0.321 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001276948024 805010990 /nfs/dbraw/zinc/01/09/90/805010990.db2.gz HSTZSLHBODEEQV-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001276948024 805010998 /nfs/dbraw/zinc/01/09/98/805010998.db2.gz HSTZSLHBODEEQV-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001276963584 805025146 /nfs/dbraw/zinc/02/51/46/805025146.db2.gz KHKCNFWSHGKEQT-OAHLLOKOSA-N 1 2 299.374 0.169 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001276963584 805025157 /nfs/dbraw/zinc/02/51/57/805025157.db2.gz KHKCNFWSHGKEQT-OAHLLOKOSA-N 1 2 299.374 0.169 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001276986051 805061768 /nfs/dbraw/zinc/06/17/68/805061768.db2.gz PCXQPOZYNZGJMS-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001276986051 805061779 /nfs/dbraw/zinc/06/17/79/805061779.db2.gz PCXQPOZYNZGJMS-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CNC4=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228901292 805487915 /nfs/dbraw/zinc/48/79/15/805487915.db2.gz ODXLHWTUSZKYCO-QCRWRKDUSA-N 1 2 286.331 0.921 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CNC4=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228901292 805487920 /nfs/dbraw/zinc/48/79/20/805487920.db2.gz ODXLHWTUSZKYCO-QCRWRKDUSA-N 1 2 286.331 0.921 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)CCc2cnn[nH]2)CC1 ZINC001229289640 805517077 /nfs/dbraw/zinc/51/70/77/805517077.db2.gz OECQRRQAJVRAIE-UHFFFAOYSA-N 1 2 275.356 0.341 20 30 CCEDLO C=CCOC[C@@H](O)CN1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001246030143 807126933 /nfs/dbraw/zinc/12/69/33/807126933.db2.gz FAZPCUVBSBACIU-UWVGGRQHSA-N 1 2 250.289 0.218 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[NH2+]1 ZINC001246907121 807424703 /nfs/dbraw/zinc/42/47/03/807424703.db2.gz IKAVKBAHSRTAIM-KGLIPLIRSA-N 1 2 273.336 0.894 20 30 CCEDLO CC(C)n1ncc(C#N)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006388 807637575 /nfs/dbraw/zinc/63/75/75/807637575.db2.gz LHUROXHTKIMZDF-ZDUSSCGKSA-N 1 2 293.371 0.441 20 30 CCEDLO N#CCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348377234 807710431 /nfs/dbraw/zinc/71/04/31/807710431.db2.gz DQCGFSQKBFLPQR-JTQLQIEISA-N 1 2 261.285 0.566 20 30 CCEDLO N#CCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348377234 807710432 /nfs/dbraw/zinc/71/04/32/807710432.db2.gz DQCGFSQKBFLPQR-JTQLQIEISA-N 1 2 261.285 0.566 20 30 CCEDLO C#CCOC[C@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001251833126 807715764 /nfs/dbraw/zinc/71/57/64/807715764.db2.gz ZPBDXVUNQJNTAW-CYBMUJFWSA-N 1 2 280.324 0.529 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252470843 807881290 /nfs/dbraw/zinc/88/12/90/807881290.db2.gz REDUAIWDYBHTIU-VPOLOUISSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252470843 807881296 /nfs/dbraw/zinc/88/12/96/807881296.db2.gz REDUAIWDYBHTIU-VPOLOUISSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252472631 807884352 /nfs/dbraw/zinc/88/43/52/807884352.db2.gz WFWPGMORVXQCKT-NSHDSACASA-N 1 2 252.314 0.905 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252472631 807884360 /nfs/dbraw/zinc/88/43/60/807884360.db2.gz WFWPGMORVXQCKT-NSHDSACASA-N 1 2 252.314 0.905 20 30 CCEDLO C=C[C@@](C)(O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001252543715 807906742 /nfs/dbraw/zinc/90/67/42/807906742.db2.gz UBYLEZJRSQVSHZ-CYBMUJFWSA-N 1 2 264.329 0.662 20 30 CCEDLO C=C[C@@](C)(O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001252543715 807906748 /nfs/dbraw/zinc/90/67/48/807906748.db2.gz UBYLEZJRSQVSHZ-CYBMUJFWSA-N 1 2 264.329 0.662 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001253567915 808081562 /nfs/dbraw/zinc/08/15/62/808081562.db2.gz WGQUWYQDRSNSHE-LLVKDONJSA-N 1 2 250.298 0.584 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253576054 808082595 /nfs/dbraw/zinc/08/25/95/808082595.db2.gz JJSQEVPLQRFNFE-QWRGUYRKSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253576054 808082606 /nfs/dbraw/zinc/08/26/06/808082606.db2.gz JJSQEVPLQRFNFE-QWRGUYRKSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001253581841 808089015 /nfs/dbraw/zinc/08/90/15/808089015.db2.gz KIGXDIZNOCKENE-NSHDSACASA-N 1 2 291.351 0.816 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001253581841 808089023 /nfs/dbraw/zinc/08/90/23/808089023.db2.gz KIGXDIZNOCKENE-NSHDSACASA-N 1 2 291.351 0.816 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253677343 808111622 /nfs/dbraw/zinc/11/16/22/808111622.db2.gz NCRFMMLUIGCEKG-MNOVXSKESA-N 1 2 299.392 0.963 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253677343 808111624 /nfs/dbraw/zinc/11/16/24/808111624.db2.gz NCRFMMLUIGCEKG-MNOVXSKESA-N 1 2 299.392 0.963 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254930190 808298866 /nfs/dbraw/zinc/29/88/66/808298866.db2.gz FBUAJOXHDOHVNW-SJQPAMGKSA-N 1 2 257.355 0.805 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc[nH]c2C)C1 ZINC001278851862 808333685 /nfs/dbraw/zinc/33/36/85/808333685.db2.gz YYNOXBUYKFQGSQ-UHFFFAOYSA-N 1 2 261.325 0.123 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001278904171 808441719 /nfs/dbraw/zinc/44/17/19/808441719.db2.gz WJAILMCQMCAXIU-CHWSQXEVSA-N 1 2 264.369 0.609 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257938881 808645613 /nfs/dbraw/zinc/64/56/13/808645613.db2.gz JPPPERODDILWAE-NSHDSACASA-N 1 2 275.370 0.308 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257938881 808645618 /nfs/dbraw/zinc/64/56/18/808645618.db2.gz JPPPERODDILWAE-NSHDSACASA-N 1 2 275.370 0.308 20 30 CCEDLO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CC[C@H]3C2)ccc1F ZINC001259417939 808757384 /nfs/dbraw/zinc/75/73/84/808757384.db2.gz ISMWGOSYNSZKCO-NSHDSACASA-N 1 2 295.339 0.776 20 30 CCEDLO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3CC[C@H]3C2)ccc1F ZINC001259417939 808757387 /nfs/dbraw/zinc/75/73/87/808757387.db2.gz ISMWGOSYNSZKCO-NSHDSACASA-N 1 2 295.339 0.776 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)n1 ZINC001261436008 808976645 /nfs/dbraw/zinc/97/66/45/808976645.db2.gz MUFWRRFFWMVPMU-KOLCDFICSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@@H](C)NC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC001261436008 808976649 /nfs/dbraw/zinc/97/66/49/808976649.db2.gz MUFWRRFFWMVPMU-KOLCDFICSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC001261436008 808976654 /nfs/dbraw/zinc/97/66/54/808976654.db2.gz MUFWRRFFWMVPMU-KOLCDFICSA-N 1 2 267.333 0.235 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC001262168653 809216206 /nfs/dbraw/zinc/21/62/06/809216206.db2.gz FJKQLYHHYMSDIJ-LBPRGKRZSA-N 1 2 290.327 0.486 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC001262168653 809216211 /nfs/dbraw/zinc/21/62/11/809216211.db2.gz FJKQLYHHYMSDIJ-LBPRGKRZSA-N 1 2 290.327 0.486 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263748794 809561402 /nfs/dbraw/zinc/56/14/02/809561402.db2.gz HSJLMMCCQNRFQZ-UHFFFAOYSA-N 1 2 283.372 0.653 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263748794 809561406 /nfs/dbraw/zinc/56/14/06/809561406.db2.gz HSJLMMCCQNRFQZ-UHFFFAOYSA-N 1 2 283.372 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001263821650 809578041 /nfs/dbraw/zinc/57/80/41/809578041.db2.gz WKCTYFASKKKHOQ-ZBFHGGJFSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001263821650 809578045 /nfs/dbraw/zinc/57/80/45/809578045.db2.gz WKCTYFASKKKHOQ-ZBFHGGJFSA-N 1 2 293.411 0.703 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001265263141 809734726 /nfs/dbraw/zinc/73/47/26/809734726.db2.gz UGXQOVIGJVNDBA-KBPBESRZSA-N 1 2 263.385 0.400 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266200069 809960079 /nfs/dbraw/zinc/96/00/79/809960079.db2.gz CZUQUUDSPMGVSJ-LBPRGKRZSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266200069 809960081 /nfs/dbraw/zinc/96/00/81/809960081.db2.gz CZUQUUDSPMGVSJ-LBPRGKRZSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)CC ZINC001267283082 811093215 /nfs/dbraw/zinc/09/32/15/811093215.db2.gz UTLZYZRURWGQCC-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)CC ZINC001267283082 811093225 /nfs/dbraw/zinc/09/32/25/811093225.db2.gz UTLZYZRURWGQCC-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001076948400 815420943 /nfs/dbraw/zinc/42/09/43/815420943.db2.gz GUKYVMRMNDMKLB-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001076948400 815420946 /nfs/dbraw/zinc/42/09/46/815420946.db2.gz GUKYVMRMNDMKLB-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038280924 811161524 /nfs/dbraw/zinc/16/15/24/811161524.db2.gz PNIUJMAFUTXYSW-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038280924 811161529 /nfs/dbraw/zinc/16/15/29/811161529.db2.gz PNIUJMAFUTXYSW-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2C)C1 ZINC001076973280 815426167 /nfs/dbraw/zinc/42/61/67/815426167.db2.gz CLVGVBIMVVNTNE-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2C)C1 ZINC001076973280 815426170 /nfs/dbraw/zinc/42/61/70/815426170.db2.gz CLVGVBIMVVNTNE-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001077013316 815432121 /nfs/dbraw/zinc/43/21/21/815432121.db2.gz SOVIBGMPZVAHRM-YJNKXOJESA-N 1 2 294.395 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001077013316 815432125 /nfs/dbraw/zinc/43/21/25/815432125.db2.gz SOVIBGMPZVAHRM-YJNKXOJESA-N 1 2 294.395 0.232 20 30 CCEDLO CC#CC[NH2+][C@H](CNC(=O)c1ncn[nH]1)c1ccccc1 ZINC001267522684 811401219 /nfs/dbraw/zinc/40/12/19/811401219.db2.gz KIEQBXNGZCNRAR-CYBMUJFWSA-N 1 2 283.335 0.889 20 30 CCEDLO CC#CC[NH2+][C@H](CNC(=O)c1nc[nH]n1)c1ccccc1 ZINC001267522684 811401224 /nfs/dbraw/zinc/40/12/24/811401224.db2.gz KIEQBXNGZCNRAR-CYBMUJFWSA-N 1 2 283.335 0.889 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318800 811444648 /nfs/dbraw/zinc/44/46/48/811444648.db2.gz UERSWHVYIOCOQF-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318800 811444654 /nfs/dbraw/zinc/44/46/54/811444654.db2.gz UERSWHVYIOCOQF-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](CC)OCC)CC1 ZINC001267574157 811466454 /nfs/dbraw/zinc/46/64/54/811466454.db2.gz WZONEIADZAWIBP-HNNXBMFYSA-N 1 2 295.427 0.511 20 30 CCEDLO CO[C@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001267574731 811469319 /nfs/dbraw/zinc/46/93/19/811469319.db2.gz RCLYXHYTVDQCKQ-AWEZNQCLSA-N 1 2 296.415 0.257 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001077137048 815450775 /nfs/dbraw/zinc/45/07/75/815450775.db2.gz BTRZZLJGYZOOAC-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001077137048 815450779 /nfs/dbraw/zinc/45/07/79/815450779.db2.gz BTRZZLJGYZOOAC-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCOCC)CC1 ZINC001267606032 811546119 /nfs/dbraw/zinc/54/61/19/811546119.db2.gz LIPGLGBMJXVNGG-UHFFFAOYSA-N 1 2 283.416 0.675 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)C2(CF)CCC2)CC1 ZINC001267612239 811563657 /nfs/dbraw/zinc/56/36/57/811563657.db2.gz CIVUPNHGMUHXCX-UHFFFAOYSA-N 1 2 295.402 0.835 20 30 CCEDLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618360 811576923 /nfs/dbraw/zinc/57/69/23/811576923.db2.gz NJAAYDJBYRAPNI-CABCVRRESA-N 1 2 292.427 0.878 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 ZINC001267649443 811616227 /nfs/dbraw/zinc/61/62/27/811616227.db2.gz PUPKIAGKGSPGNH-MRXNPFEDSA-N 1 2 293.411 0.915 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001038369047 811821327 /nfs/dbraw/zinc/82/13/27/811821327.db2.gz XGHRNAHNWNIKQL-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001038369047 811821334 /nfs/dbraw/zinc/82/13/34/811821334.db2.gz XGHRNAHNWNIKQL-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO C[C@@](CNCC#N)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267859393 811840903 /nfs/dbraw/zinc/84/09/03/811840903.db2.gz AKIVWDVHCNTFDI-ZDUSSCGKSA-N 1 2 261.329 0.350 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CCNCC#N ZINC001105101433 811842365 /nfs/dbraw/zinc/84/23/65/811842365.db2.gz LDBFQRAWUNVJFO-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC=C)C2)nn1 ZINC001105315239 811906863 /nfs/dbraw/zinc/90/68/63/811906863.db2.gz CUYRORHWSIYGDA-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001268017654 811959074 /nfs/dbraw/zinc/95/90/74/811959074.db2.gz LSELGXKPMZLULI-ZDUSSCGKSA-N 1 2 293.367 0.648 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001268017654 811959080 /nfs/dbraw/zinc/95/90/80/811959080.db2.gz LSELGXKPMZLULI-ZDUSSCGKSA-N 1 2 293.367 0.648 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017915 811960417 /nfs/dbraw/zinc/96/04/17/811960417.db2.gz GWOBERUBVKULNN-CQSZACIVSA-N 1 2 292.383 0.703 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001038751049 812037558 /nfs/dbraw/zinc/03/75/58/812037558.db2.gz HMWMVEBPMIAFGP-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001038751049 812037566 /nfs/dbraw/zinc/03/75/66/812037566.db2.gz HMWMVEBPMIAFGP-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001038927955 812353171 /nfs/dbraw/zinc/35/31/71/812353171.db2.gz FNLSLFWVTYOASR-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001038927955 812353176 /nfs/dbraw/zinc/35/31/76/812353176.db2.gz FNLSLFWVTYOASR-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001268236109 812398615 /nfs/dbraw/zinc/39/86/15/812398615.db2.gz SKSDQIQOECRHTQ-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001268236109 812398623 /nfs/dbraw/zinc/39/86/23/812398623.db2.gz SKSDQIQOECRHTQ-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001268260537 812427285 /nfs/dbraw/zinc/42/72/85/812427285.db2.gz YIBASJAPBZBTOD-ZDUSSCGKSA-N 1 2 282.384 0.805 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105365522 812633523 /nfs/dbraw/zinc/63/35/23/812633523.db2.gz YJZZBJQSOHOFMT-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)COC)C1 ZINC001268495823 812704609 /nfs/dbraw/zinc/70/46/09/812704609.db2.gz FLFDADMOUNTNTM-UHFFFAOYSA-N 1 2 297.399 0.105 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3ccccc32)[C@@H](O)C1 ZINC001083616009 815550768 /nfs/dbraw/zinc/55/07/68/815550768.db2.gz TUOHLSLRPMOBMP-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3ccccc32)[C@@H](O)C1 ZINC001083616009 815550772 /nfs/dbraw/zinc/55/07/72/815550772.db2.gz TUOHLSLRPMOBMP-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC/C=C\CNCC#N ZINC001268571103 812844225 /nfs/dbraw/zinc/84/42/25/812844225.db2.gz UHACGXMDMGDFKR-IHWYPQMZSA-N 1 2 261.329 0.138 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@@H](O)C1 ZINC001083345315 812894635 /nfs/dbraw/zinc/89/46/35/812894635.db2.gz CWVZSWXXXWPIKD-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@@H](O)C1 ZINC001083345315 812894645 /nfs/dbraw/zinc/89/46/45/812894645.db2.gz CWVZSWXXXWPIKD-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001268688396 813010425 /nfs/dbraw/zinc/01/04/25/813010425.db2.gz GDDUMXGDEFXRGG-VHSXEESVSA-N 1 2 280.328 0.011 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028636585 813075455 /nfs/dbraw/zinc/07/54/55/813075455.db2.gz CUOBZLMRCKWGRJ-OLZOCXBDSA-N 1 2 287.367 0.407 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CCC1 ZINC001269061730 813198849 /nfs/dbraw/zinc/19/88/49/813198849.db2.gz NSQJKXLJGVYOMB-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CCC1 ZINC001269061730 813198850 /nfs/dbraw/zinc/19/88/50/813198850.db2.gz NSQJKXLJGVYOMB-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001269084787 813208621 /nfs/dbraw/zinc/20/86/21/813208621.db2.gz XRSWOAALLDLWEH-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001269084787 813208623 /nfs/dbraw/zinc/20/86/23/813208623.db2.gz XRSWOAALLDLWEH-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001269206306 813266162 /nfs/dbraw/zinc/26/61/62/813266162.db2.gz USHYTHKLQFVBBR-ZFWWWQNUSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001269206306 813266171 /nfs/dbraw/zinc/26/61/71/813266171.db2.gz USHYTHKLQFVBBR-ZFWWWQNUSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001269236097 813283256 /nfs/dbraw/zinc/28/32/56/813283256.db2.gz VOOVJHZFPQBINM-LLVKDONJSA-N 1 2 286.322 0.872 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001269236097 813283260 /nfs/dbraw/zinc/28/32/60/813283260.db2.gz VOOVJHZFPQBINM-LLVKDONJSA-N 1 2 286.322 0.872 20 30 CCEDLO C=CCS(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000711093278 813330584 /nfs/dbraw/zinc/33/05/84/813330584.db2.gz OGGKPMSFTJJYBG-UHFFFAOYSA-N 1 2 274.386 0.299 20 30 CCEDLO C=CCCC(=O)N[C@](C)(C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001269605063 813443600 /nfs/dbraw/zinc/44/36/00/813443600.db2.gz FIPDLNOACIGUMB-CQSZACIVSA-N 1 2 292.387 0.551 20 30 CCEDLO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691944 813895735 /nfs/dbraw/zinc/89/57/35/813895735.db2.gz NKHRFYRFBAKCLT-NEPJUHHUSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691944 813895744 /nfs/dbraw/zinc/89/57/44/813895744.db2.gz NKHRFYRFBAKCLT-NEPJUHHUSA-N 1 2 293.371 0.590 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Oc1nccc(/C=N/O)n1 ZINC001226253916 813939889 /nfs/dbraw/zinc/93/98/89/813939889.db2.gz OIJBYRKYMHKCEJ-WWNSAXIVSA-N 1 2 266.301 0.384 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)c[nH]1 ZINC001083418399 814245277 /nfs/dbraw/zinc/24/52/77/814245277.db2.gz HWNJTBOMPFCCOX-VHYYUZIWSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)c[nH]1 ZINC001083418399 814245283 /nfs/dbraw/zinc/24/52/83/814245283.db2.gz HWNJTBOMPFCCOX-VHYYUZIWSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001059426485 814301156 /nfs/dbraw/zinc/30/11/56/814301156.db2.gz BNWBGSHTSHVPDT-MGCOHNPYSA-N 1 2 297.322 0.373 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COC(C)C)C1 ZINC001271254804 814353754 /nfs/dbraw/zinc/35/37/54/814353754.db2.gz NUTCEVIJZDRBEB-UHFFFAOYSA-N 1 2 256.346 0.150 20 30 CCEDLO C#CCCN1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271304124 814372687 /nfs/dbraw/zinc/37/26/87/814372687.db2.gz TWOBMHGXQPZSHF-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001271304124 814372693 /nfs/dbraw/zinc/37/26/93/814372693.db2.gz TWOBMHGXQPZSHF-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029677012 814534434 /nfs/dbraw/zinc/53/44/34/814534434.db2.gz HTNXFXWTCFYCRG-NWDGAFQWSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029677012 814534442 /nfs/dbraw/zinc/53/44/42/814534442.db2.gz HTNXFXWTCFYCRG-NWDGAFQWSA-N 1 2 290.371 0.255 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@@H](O)C1 ZINC001083655934 815620776 /nfs/dbraw/zinc/62/07/76/815620776.db2.gz QMFLLLUDTXJTKI-UIBIWLFHSA-N 1 2 298.386 0.759 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@@H](O)C1 ZINC001083655934 815620781 /nfs/dbraw/zinc/62/07/81/815620781.db2.gz QMFLLLUDTXJTKI-UIBIWLFHSA-N 1 2 298.386 0.759 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030332569 815979730 /nfs/dbraw/zinc/97/97/30/815979730.db2.gz NIQLAEWJAQFMEK-OLZOCXBDSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN2CCCCCCC2=O)C1 ZINC001030404209 816016969 /nfs/dbraw/zinc/01/69/69/816016969.db2.gz PSGKWCNISPENRT-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO C=C(C)CN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030553167 816103843 /nfs/dbraw/zinc/10/38/43/816103843.db2.gz UEUAELGYILGSCI-LBPRGKRZSA-N 1 2 274.368 0.822 20 30 CCEDLO CN1CCC2(C[NH+](Cc3cc(C#N)ccn3)C2)C1=O ZINC001232482853 816163717 /nfs/dbraw/zinc/16/37/17/816163717.db2.gz YOAQDHZOLINLAK-UHFFFAOYSA-N 1 2 256.309 0.617 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCO[C@@H]2C)C1 ZINC001030729368 816254260 /nfs/dbraw/zinc/25/42/60/816254260.db2.gz RQKZPQZBIDMAMO-BXUZGUMPSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498117 816299714 /nfs/dbraw/zinc/29/97/14/816299714.db2.gz IBBPXJNURFOFLF-QWRGUYRKSA-N 1 2 291.355 0.133 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038568809 816438455 /nfs/dbraw/zinc/43/84/55/816438455.db2.gz PDBRNPHQEYJHJJ-GFCCVEGCSA-N 1 2 260.341 0.474 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038568809 816438457 /nfs/dbraw/zinc/43/84/57/816438457.db2.gz PDBRNPHQEYJHJJ-GFCCVEGCSA-N 1 2 260.341 0.474 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H](CC)OC)C2)c1 ZINC001030928371 816448222 /nfs/dbraw/zinc/44/82/22/816448222.db2.gz PKDOCUKHQLKOFJ-HNNXBMFYSA-N 1 2 287.363 0.902 20 30 CCEDLO N#Cc1cncnc1NCC1([NH+]2CCCC2)COC1 ZINC001168442658 816467270 /nfs/dbraw/zinc/46/72/70/816467270.db2.gz PDNFMPUXFLXEDS-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272570900 816591478 /nfs/dbraw/zinc/59/14/78/816591478.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272570900 816591485 /nfs/dbraw/zinc/59/14/85/816591485.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272570900 816591491 /nfs/dbraw/zinc/59/14/91/816591491.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272570900 816591498 /nfs/dbraw/zinc/59/14/98/816591498.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272570900 816591504 /nfs/dbraw/zinc/59/15/04/816591504.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272570900 816591508 /nfs/dbraw/zinc/59/15/08/816591508.db2.gz VUUJQCPMKKUGCR-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699455497 816728567 /nfs/dbraw/zinc/72/85/67/816728567.db2.gz IOMYOOLMVXBCPK-HUUCEWRRSA-N 1 2 275.352 0.200 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699455497 816728573 /nfs/dbraw/zinc/72/85/73/816728573.db2.gz IOMYOOLMVXBCPK-HUUCEWRRSA-N 1 2 275.352 0.200 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001031179443 816751923 /nfs/dbraw/zinc/75/19/23/816751923.db2.gz LCLGXHXPLNPDPN-UHFFFAOYSA-N 1 2 291.395 0.065 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@@H](O)C1 ZINC001083730031 816784736 /nfs/dbraw/zinc/78/47/36/816784736.db2.gz LZVOTMBIWGZITR-ZNMIVQPWSA-N 1 2 288.322 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@@H](O)C1 ZINC001083730031 816784740 /nfs/dbraw/zinc/78/47/40/816784740.db2.gz LZVOTMBIWGZITR-ZNMIVQPWSA-N 1 2 288.322 0.260 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)OC)C2)cn1 ZINC001031278541 816923449 /nfs/dbraw/zinc/92/34/49/816923449.db2.gz QGBPWGMNGYLABW-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001031320362 816976422 /nfs/dbraw/zinc/97/64/22/816976422.db2.gz ITBNKXWXFIOENO-UHFFFAOYSA-N 1 2 285.347 0.844 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001031377136 817011061 /nfs/dbraw/zinc/01/10/61/817011061.db2.gz LLSKDGVYOYWXJZ-UHFFFAOYSA-N 1 2 273.336 0.776 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001031580725 817162708 /nfs/dbraw/zinc/16/27/08/817162708.db2.gz WVRNPUHFZNSFSG-MNOVXSKESA-N 1 2 286.759 0.596 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272725368 817613183 /nfs/dbraw/zinc/61/31/83/817613183.db2.gz BGEKBMIFEVVUDP-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272725368 817613187 /nfs/dbraw/zinc/61/31/87/817613187.db2.gz BGEKBMIFEVVUDP-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cn(C)cn2)C1=O ZINC001272731890 817621546 /nfs/dbraw/zinc/62/15/46/817621546.db2.gz WKBSZGQIHPTWBP-HNNXBMFYSA-N 1 2 272.352 0.620 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cn(C)cn2)C1=O ZINC001272731890 817621552 /nfs/dbraw/zinc/62/15/52/817621552.db2.gz WKBSZGQIHPTWBP-HNNXBMFYSA-N 1 2 272.352 0.620 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(F)F)nn2)C1 ZINC001107114513 817759419 /nfs/dbraw/zinc/75/94/19/817759419.db2.gz WKFNSZWSKHFZGC-UHFFFAOYSA-N 1 2 271.271 0.202 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1 ZINC001032272074 817770722 /nfs/dbraw/zinc/77/07/22/817770722.db2.gz JJMBDNBSKNPTRB-STQMWFEESA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1 ZINC001032272074 817770728 /nfs/dbraw/zinc/77/07/28/817770728.db2.gz JJMBDNBSKNPTRB-STQMWFEESA-N 1 2 258.325 0.342 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)OC)nn2)C1 ZINC001107144615 817793701 /nfs/dbraw/zinc/79/37/01/817793701.db2.gz XLBXXJMCKVDFIO-LLVKDONJSA-N 1 2 293.371 0.362 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169547 817799146 /nfs/dbraw/zinc/79/91/46/817799146.db2.gz NSSHEEKOLHBRRA-UHFFFAOYSA-N 1 2 285.351 0.350 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](F)CC)nn2)C1 ZINC001107194412 817805335 /nfs/dbraw/zinc/80/53/35/817805335.db2.gz UBCLRUZWGMKSJO-CYBMUJFWSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001077611372 817871635 /nfs/dbraw/zinc/87/16/35/817871635.db2.gz HXTHUSUAZBTRNM-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001077611372 817871641 /nfs/dbraw/zinc/87/16/41/817871641.db2.gz HXTHUSUAZBTRNM-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC)C1 ZINC001107710052 817955115 /nfs/dbraw/zinc/95/51/15/817955115.db2.gz OXKUMESULWGZJQ-AWEZNQCLSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC)C1 ZINC001107710052 817955119 /nfs/dbraw/zinc/95/51/19/817955119.db2.gz OXKUMESULWGZJQ-AWEZNQCLSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001032824336 818069445 /nfs/dbraw/zinc/06/94/45/818069445.db2.gz NMTLQOSBFICKLL-UBHSHLNASA-N 1 2 272.352 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001032824336 818069452 /nfs/dbraw/zinc/06/94/52/818069452.db2.gz NMTLQOSBFICKLL-UBHSHLNASA-N 1 2 272.352 0.442 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001083812072 818096439 /nfs/dbraw/zinc/09/64/39/818096439.db2.gz JOJNRSSWSVABGL-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001083812072 818096446 /nfs/dbraw/zinc/09/64/46/818096446.db2.gz JOJNRSSWSVABGL-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CCOC)c2)C1 ZINC001044243352 818292186 /nfs/dbraw/zinc/29/21/86/818292186.db2.gz RZFDVRADIMXRMR-UHFFFAOYSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001083834624 818536633 /nfs/dbraw/zinc/53/66/33/818536633.db2.gz NCSGVQYLUKZOPO-ZJUUUORDSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001083834624 818536637 /nfs/dbraw/zinc/53/66/37/818536637.db2.gz NCSGVQYLUKZOPO-ZJUUUORDSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083839125 818546611 /nfs/dbraw/zinc/54/66/11/818546611.db2.gz HGDAMXDDIQNZCU-QXSJWSMHSA-N 1 2 284.359 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083839125 818546617 /nfs/dbraw/zinc/54/66/17/818546617.db2.gz HGDAMXDDIQNZCU-QXSJWSMHSA-N 1 2 284.359 0.585 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCN(CC#N)C1 ZINC001033212761 818655919 /nfs/dbraw/zinc/65/59/19/818655919.db2.gz WLLLZJJNHSJFRD-TZMCWYRMSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033595123 818843814 /nfs/dbraw/zinc/84/38/14/818843814.db2.gz ATIAPSHGUCSYPN-MNOVXSKESA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033595123 818843820 /nfs/dbraw/zinc/84/38/20/818843820.db2.gz ATIAPSHGUCSYPN-MNOVXSKESA-N 1 2 285.775 0.550 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC)[C@@H](n2ccnn2)C1 ZINC001128710963 818864452 /nfs/dbraw/zinc/86/44/52/818864452.db2.gz TXJVEFPOWUEQSX-KGLIPLIRSA-N 1 2 289.383 0.833 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC)[C@@H](n2ccnn2)C1 ZINC001128710963 818864460 /nfs/dbraw/zinc/86/44/60/818864460.db2.gz TXJVEFPOWUEQSX-KGLIPLIRSA-N 1 2 289.383 0.833 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001034885971 819355950 /nfs/dbraw/zinc/35/59/50/819355950.db2.gz DFSHHPGCRASDON-WDEREUQCSA-N 1 2 291.355 0.872 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ccc(OCC#N)cn2)C1 ZINC001162683139 819390928 /nfs/dbraw/zinc/39/09/28/819390928.db2.gz ACGSGALBONZTLM-LBPRGKRZSA-N 1 2 262.313 0.726 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ccc(OCC#N)cn2)C1 ZINC001162683139 819390933 /nfs/dbraw/zinc/39/09/33/819390933.db2.gz ACGSGALBONZTLM-LBPRGKRZSA-N 1 2 262.313 0.726 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035291662 819438539 /nfs/dbraw/zinc/43/85/39/819438539.db2.gz CELXEQHCFAWZEP-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035291662 819438547 /nfs/dbraw/zinc/43/85/47/819438547.db2.gz CELXEQHCFAWZEP-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035309678 819461432 /nfs/dbraw/zinc/46/14/32/819461432.db2.gz DTDWBVVMGBXRQN-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035309678 819461438 /nfs/dbraw/zinc/46/14/38/819461438.db2.gz DTDWBVVMGBXRQN-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035337630 819478566 /nfs/dbraw/zinc/47/85/66/819478566.db2.gz WBPSSLRCKGCKGU-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035337630 819478572 /nfs/dbraw/zinc/47/85/72/819478572.db2.gz WBPSSLRCKGCKGU-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001035346406 819486631 /nfs/dbraw/zinc/48/66/31/819486631.db2.gz GXDRFLGVUVKKBF-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001035346406 819486635 /nfs/dbraw/zinc/48/66/35/819486635.db2.gz GXDRFLGVUVKKBF-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC001035389100 819505377 /nfs/dbraw/zinc/50/53/77/819505377.db2.gz AESQHZLJWPRMJG-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC001035389100 819505385 /nfs/dbraw/zinc/50/53/85/819505385.db2.gz AESQHZLJWPRMJG-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174987 819510301 /nfs/dbraw/zinc/51/03/01/819510301.db2.gz NJZNZWBRXKZVIC-TUAOUCFPSA-N 1 2 279.319 0.001 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174987 819510303 /nfs/dbraw/zinc/51/03/03/819510303.db2.gz NJZNZWBRXKZVIC-TUAOUCFPSA-N 1 2 279.319 0.001 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001035436872 819524239 /nfs/dbraw/zinc/52/42/39/819524239.db2.gz ACMSYTUVBHECLZ-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001035436872 819524244 /nfs/dbraw/zinc/52/42/44/819524244.db2.gz ACMSYTUVBHECLZ-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csnn2)C1 ZINC001035459550 819534678 /nfs/dbraw/zinc/53/46/78/819534678.db2.gz CPHJIKPOTHFBGW-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csnn2)C1 ZINC001035459550 819534682 /nfs/dbraw/zinc/53/46/82/819534682.db2.gz CPHJIKPOTHFBGW-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001035554615 819568409 /nfs/dbraw/zinc/56/84/09/819568409.db2.gz XLAHGTUMYUEYDB-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001035554615 819568415 /nfs/dbraw/zinc/56/84/15/819568415.db2.gz XLAHGTUMYUEYDB-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001063517934 820154899 /nfs/dbraw/zinc/15/48/99/820154899.db2.gz RRBKSRGPOTZSPQ-NSHDSACASA-N 1 2 289.339 0.198 20 30 CCEDLO C[NH+]=C(NCc1nnc([C@H]2CCCO2)[nH]1)NC1CC1 ZINC001118351097 820392323 /nfs/dbraw/zinc/39/23/23/820392323.db2.gz WADUSLMERAKTJG-SECBINFHSA-N 1 2 264.333 0.484 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346903 820555282 /nfs/dbraw/zinc/55/52/82/820555282.db2.gz VJPLECUJODAFAR-LDYMZIIASA-N 1 2 296.758 0.573 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346903 820555286 /nfs/dbraw/zinc/55/52/86/820555286.db2.gz VJPLECUJODAFAR-LDYMZIIASA-N 1 2 296.758 0.573 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001080387387 820557460 /nfs/dbraw/zinc/55/74/60/820557460.db2.gz ZQJRHXAOTFYKRH-PSASIEDQSA-N 1 2 298.774 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001080387387 820557469 /nfs/dbraw/zinc/55/74/69/820557469.db2.gz ZQJRHXAOTFYKRH-PSASIEDQSA-N 1 2 298.774 0.928 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081342051 820742907 /nfs/dbraw/zinc/74/29/07/820742907.db2.gz HPXSSELVBJRJKZ-ZYHUDNBSSA-N 1 2 265.313 0.598 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081342051 820742911 /nfs/dbraw/zinc/74/29/11/820742911.db2.gz HPXSSELVBJRJKZ-ZYHUDNBSSA-N 1 2 265.313 0.598 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn32)[C@H](OC)C1 ZINC001081873276 820848607 /nfs/dbraw/zinc/84/86/07/820848607.db2.gz NLTIRXRCIVIUNV-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn32)[C@H](OC)C1 ZINC001081873276 820848622 /nfs/dbraw/zinc/84/86/22/820848622.db2.gz NLTIRXRCIVIUNV-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@H](OC)C1 ZINC001081936291 820866821 /nfs/dbraw/zinc/86/68/21/820866821.db2.gz WVWBWHCCYKRJSW-KQTLUZQSSA-N 1 2 292.379 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@H](OC)C1 ZINC001081936291 820866832 /nfs/dbraw/zinc/86/68/32/820866832.db2.gz WVWBWHCCYKRJSW-KQTLUZQSSA-N 1 2 292.379 0.394 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](OC)C1 ZINC001082190876 820913689 /nfs/dbraw/zinc/91/36/89/820913689.db2.gz MCRQNHXBBGZUEK-TZMCWYRMSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](OC)C1 ZINC001082190876 820913692 /nfs/dbraw/zinc/91/36/92/820913692.db2.gz MCRQNHXBBGZUEK-TZMCWYRMSA-N 1 2 289.335 0.614 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nccs2)[C@H](OC)C1 ZINC001082265252 820930901 /nfs/dbraw/zinc/93/09/01/820930901.db2.gz KYPPMWLPSCNILR-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nccs2)[C@H](OC)C1 ZINC001082265252 820930905 /nfs/dbraw/zinc/93/09/05/820930905.db2.gz KYPPMWLPSCNILR-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@H](OC)C1 ZINC001082321188 820936535 /nfs/dbraw/zinc/93/65/35/820936535.db2.gz HBGZQAHJNSQPRL-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@H](OC)C1 ZINC001082321188 820936541 /nfs/dbraw/zinc/93/65/41/820936541.db2.gz HBGZQAHJNSQPRL-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@H](OC)C1 ZINC001082365194 820949813 /nfs/dbraw/zinc/94/98/13/820949813.db2.gz NGLCLKCVZDVFGT-DGCLKSJQSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@H](OC)C1 ZINC001082365194 820949817 /nfs/dbraw/zinc/94/98/17/820949817.db2.gz NGLCLKCVZDVFGT-DGCLKSJQSA-N 1 2 291.351 0.608 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@H]2C#N)ncc1Cl ZINC001164642281 821001104 /nfs/dbraw/zinc/00/11/04/821001104.db2.gz UDHBXMNRWQTEIT-MRVPVSSYSA-N 1 2 280.715 0.823 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083006288 821118100 /nfs/dbraw/zinc/11/81/00/821118100.db2.gz BPLYOFFARGTSFB-FRRDWIJNSA-N 1 2 282.409 0.673 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)SC)[C@H]2C1 ZINC001083006288 821118104 /nfs/dbraw/zinc/11/81/04/821118104.db2.gz BPLYOFFARGTSFB-FRRDWIJNSA-N 1 2 282.409 0.673 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC)n3)[C@H]2C1 ZINC001083074896 821122021 /nfs/dbraw/zinc/12/20/21/821122021.db2.gz SDKYXFCNKVJKRG-QWHCGFSZSA-N 1 2 291.355 0.009 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC)n3)[C@H]2C1 ZINC001083074896 821122026 /nfs/dbraw/zinc/12/20/26/821122026.db2.gz SDKYXFCNKVJKRG-QWHCGFSZSA-N 1 2 291.355 0.009 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1 ZINC001083057292 821129444 /nfs/dbraw/zinc/12/94/44/821129444.db2.gz AMRLZJTUTPRHQR-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1 ZINC001083057292 821129449 /nfs/dbraw/zinc/12/94/49/821129449.db2.gz AMRLZJTUTPRHQR-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001083946332 821163236 /nfs/dbraw/zinc/16/32/36/821163236.db2.gz GLDLNDJKYBGRAH-NEPJUHHUSA-N 1 2 276.336 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001083946332 821163241 /nfs/dbraw/zinc/16/32/41/821163241.db2.gz GLDLNDJKYBGRAH-NEPJUHHUSA-N 1 2 276.336 0.559 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001083994491 821170957 /nfs/dbraw/zinc/17/09/57/821170957.db2.gz QYXXCSHWODMTJF-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001083994491 821170961 /nfs/dbraw/zinc/17/09/61/821170961.db2.gz QYXXCSHWODMTJF-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H](O)C1 ZINC001084038549 821180254 /nfs/dbraw/zinc/18/02/54/821180254.db2.gz OYOQBEOZDCWQJT-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H](O)C1 ZINC001084038549 821180258 /nfs/dbraw/zinc/18/02/58/821180258.db2.gz OYOQBEOZDCWQJT-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](O)C1 ZINC001084015691 821183385 /nfs/dbraw/zinc/18/33/85/821183385.db2.gz JPLUGMHSACLXSX-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](O)C1 ZINC001084015691 821183389 /nfs/dbraw/zinc/18/33/89/821183389.db2.gz JPLUGMHSACLXSX-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@@H](O)C1 ZINC001084061752 821190214 /nfs/dbraw/zinc/19/02/14/821190214.db2.gz PMFOJSBAILQPCT-OCCSQVGLSA-N 1 2 275.352 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@@H](O)C1 ZINC001084061752 821190217 /nfs/dbraw/zinc/19/02/17/821190217.db2.gz PMFOJSBAILQPCT-OCCSQVGLSA-N 1 2 275.352 0.477 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](O)C1 ZINC001084097544 821198652 /nfs/dbraw/zinc/19/86/52/821198652.db2.gz ZTNNULYPBYUVFU-MNOVXSKESA-N 1 2 279.365 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](O)C1 ZINC001084097544 821198659 /nfs/dbraw/zinc/19/86/59/821198659.db2.gz ZTNNULYPBYUVFU-MNOVXSKESA-N 1 2 279.365 0.168 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)ncn1 ZINC001084236841 821250679 /nfs/dbraw/zinc/25/06/79/821250679.db2.gz RTRJNRFNNBVDTH-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)ncn1 ZINC001084236841 821250682 /nfs/dbraw/zinc/25/06/82/821250682.db2.gz RTRJNRFNNBVDTH-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465247 821293994 /nfs/dbraw/zinc/29/39/94/821293994.db2.gz FLWSGVYAGIOCAT-VNHYZAJKSA-N 1 2 299.378 0.502 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099821434 821367356 /nfs/dbraw/zinc/36/73/56/821367356.db2.gz UYZMCBTYWBZPHV-NEPJUHHUSA-N 1 2 256.321 0.167 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099821434 821367365 /nfs/dbraw/zinc/36/73/65/821367365.db2.gz UYZMCBTYWBZPHV-NEPJUHHUSA-N 1 2 256.321 0.167 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 ZINC001099821954 821370140 /nfs/dbraw/zinc/37/01/40/821370140.db2.gz YTFADBATLQSOSO-CHWSQXEVSA-N 1 2 284.787 0.950 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 ZINC001099821954 821370150 /nfs/dbraw/zinc/37/01/50/821370150.db2.gz YTFADBATLQSOSO-CHWSQXEVSA-N 1 2 284.787 0.950 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001098306413 821661308 /nfs/dbraw/zinc/66/13/08/821661308.db2.gz FPDDTHLEEVQGPB-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C ZINC001085487908 821736177 /nfs/dbraw/zinc/73/61/77/821736177.db2.gz LYCIQDAZBYQLGQ-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C ZINC001085487908 821736179 /nfs/dbraw/zinc/73/61/79/821736179.db2.gz LYCIQDAZBYQLGQ-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccn1CC ZINC001085570453 821806254 /nfs/dbraw/zinc/80/62/54/821806254.db2.gz JDGMOENPCNKYDW-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccn1CC ZINC001085570453 821806263 /nfs/dbraw/zinc/80/62/63/821806263.db2.gz JDGMOENPCNKYDW-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085592654 821836477 /nfs/dbraw/zinc/83/64/77/821836477.db2.gz PATMUNUFUCBXAF-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085592654 821836491 /nfs/dbraw/zinc/83/64/91/821836491.db2.gz PATMUNUFUCBXAF-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085609980 821847728 /nfs/dbraw/zinc/84/77/28/821847728.db2.gz GIJZQJAFGRQYPA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085609980 821847736 /nfs/dbraw/zinc/84/77/36/821847736.db2.gz GIJZQJAFGRQYPA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085609980 821847745 /nfs/dbraw/zinc/84/77/45/821847745.db2.gz GIJZQJAFGRQYPA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085609980 821847748 /nfs/dbraw/zinc/84/77/48/821847748.db2.gz GIJZQJAFGRQYPA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001085603729 821849330 /nfs/dbraw/zinc/84/93/30/821849330.db2.gz MWEAJNQQUQKKQW-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001085603729 821849337 /nfs/dbraw/zinc/84/93/37/821849337.db2.gz MWEAJNQQUQKKQW-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)ncn1C ZINC001085654978 821873155 /nfs/dbraw/zinc/87/31/55/821873155.db2.gz DQEATPJQNOUNMS-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)ncn1C ZINC001085654978 821873166 /nfs/dbraw/zinc/87/31/66/821873166.db2.gz DQEATPJQNOUNMS-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000710311081 821888542 /nfs/dbraw/zinc/88/85/42/821888542.db2.gz USRVZIKZOQWRSE-UHFFFAOYSA-N 1 2 258.321 0.768 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712064 821916906 /nfs/dbraw/zinc/91/69/06/821916906.db2.gz ZKYDJFJUPNLJTI-NSHDSACASA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712064 821916911 /nfs/dbraw/zinc/91/69/11/821916911.db2.gz ZKYDJFJUPNLJTI-NSHDSACASA-N 1 2 289.335 0.548 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2nccc2nc1C ZINC001085900967 822006247 /nfs/dbraw/zinc/00/62/47/822006247.db2.gz UUKLHIKHUGPGKO-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2nccc2nc1C ZINC001085900967 822006255 /nfs/dbraw/zinc/00/62/55/822006255.db2.gz UUKLHIKHUGPGKO-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392390 822235764 /nfs/dbraw/zinc/23/57/64/822235764.db2.gz LFZZIWMXWNLDMD-DDHJBXDOSA-N 1 2 273.340 0.521 20 30 CCEDLO CCc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114067056 837420897 /nfs/dbraw/zinc/42/08/97/837420897.db2.gz MDYBMMJZYXFUBY-QISWUMQESA-N 1 2 289.339 0.338 20 30 CCEDLO CCc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114067056 837420902 /nfs/dbraw/zinc/42/09/02/837420902.db2.gz MDYBMMJZYXFUBY-QISWUMQESA-N 1 2 289.339 0.338 20 30 CCEDLO C=CCOCC[NH+]1CC(N2C[C@@H](NC(=O)CC)CC2=O)C1 ZINC001108490809 836288494 /nfs/dbraw/zinc/28/84/94/836288494.db2.gz AOGQZPJQYKESIL-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001156327587 836292948 /nfs/dbraw/zinc/29/29/48/836292948.db2.gz GWLBVVHETGFPGQ-AWEZNQCLSA-N 1 2 295.346 0.593 20 30 CCEDLO CCOC(=O)N1CCC[C@H](N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001169681691 836418959 /nfs/dbraw/zinc/41/89/59/836418959.db2.gz JDUZUYYVVXIWFO-STQMWFEESA-N 1 2 280.372 0.795 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C=C(\C)CC)CC2=O)C1 ZINC001108541903 836434386 /nfs/dbraw/zinc/43/43/86/836434386.db2.gz BRYXWKOIZGJIFA-BWODNOAJSA-N 1 2 291.395 0.930 20 30 CCEDLO CCCC#CC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001184274458 844191255 /nfs/dbraw/zinc/19/12/55/844191255.db2.gz QAICEQAYKBZXJF-ZDUSSCGKSA-N 1 2 291.351 0.814 20 30 CCEDLO N#CCNCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060333 836821019 /nfs/dbraw/zinc/82/10/19/836821019.db2.gz KSPQQCMNBIBYGE-UHFFFAOYSA-N 1 2 284.323 0.500 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOC(C)C)CC1 ZINC001112634706 836833460 /nfs/dbraw/zinc/83/34/60/836833460.db2.gz XONQFWIHSGYWCT-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCOCC)CC1 ZINC001112644238 836838923 /nfs/dbraw/zinc/83/89/23/836838923.db2.gz VMCZYJHNEHRQQX-UHFFFAOYSA-N 1 2 252.358 0.971 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nccn2CC)CC1 ZINC001112803030 836916055 /nfs/dbraw/zinc/91/60/55/836916055.db2.gz NUYAUXCQJQFXBB-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112837903 836936906 /nfs/dbraw/zinc/93/69/06/836936906.db2.gz ZTFPERLXEGSMCD-CYBMUJFWSA-N 1 2 290.367 0.103 20 30 CCEDLO C#CCOCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112843457 836941045 /nfs/dbraw/zinc/94/10/45/836941045.db2.gz WPNPYZIWCOPSIS-UHFFFAOYSA-N 1 2 290.367 0.104 20 30 CCEDLO C#CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCC1 ZINC001112951674 836977859 /nfs/dbraw/zinc/97/78/59/836977859.db2.gz VNZUWQFEQUVNGJ-UHFFFAOYSA-N 1 2 264.369 0.971 20 30 CCEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113313761 837084583 /nfs/dbraw/zinc/08/45/83/837084583.db2.gz MVELXXJYQFOCFA-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCCCOC)CC1 ZINC001113513327 837146861 /nfs/dbraw/zinc/14/68/61/837146861.db2.gz GTGKQZGYUICNAG-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC001113554564 837156687 /nfs/dbraw/zinc/15/66/87/837156687.db2.gz JIKIVCFCEKNKES-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113725263 837205386 /nfs/dbraw/zinc/20/53/86/837205386.db2.gz QXRFDBFVXGEJPI-VXGBXAGGSA-N 1 2 290.367 0.764 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)cn1 ZINC001113898286 837358044 /nfs/dbraw/zinc/35/80/44/837358044.db2.gz PTMMHMFYJPFWCB-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(C)=O)CC[C@@H]1C ZINC001131748495 838204160 /nfs/dbraw/zinc/20/41/60/838204160.db2.gz VDNDYXDHURUVID-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(C)=O)CC[C@@H]1C ZINC001131748495 838204171 /nfs/dbraw/zinc/20/41/71/838204171.db2.gz VDNDYXDHURUVID-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131780210 838222780 /nfs/dbraw/zinc/22/27/80/838222780.db2.gz NSVYYMDSUGXSES-NEPJUHHUSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131780210 838222790 /nfs/dbraw/zinc/22/27/90/838222790.db2.gz NSVYYMDSUGXSES-NEPJUHHUSA-N 1 2 299.440 0.621 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131935282 838268970 /nfs/dbraw/zinc/26/89/70/838268970.db2.gz UHIBOPRDRKENIO-UWVGGRQHSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131935282 838268976 /nfs/dbraw/zinc/26/89/76/838268976.db2.gz UHIBOPRDRKENIO-UWVGGRQHSA-N 1 2 273.764 0.583 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CN1CC#N ZINC001132087062 838319090 /nfs/dbraw/zinc/31/90/90/838319090.db2.gz LXNRBZHCTYEDMM-WCQYABFASA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CN1CC#N ZINC001132087062 838319099 /nfs/dbraw/zinc/31/90/99/838319099.db2.gz LXNRBZHCTYEDMM-WCQYABFASA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCCF)C[N@@H+]1CC(=O)NCC#N ZINC001132232172 838342356 /nfs/dbraw/zinc/34/23/56/838342356.db2.gz ROZPRKXLKPEQMT-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCCF)C[N@H+]1CC(=O)NCC#N ZINC001132232172 838342361 /nfs/dbraw/zinc/34/23/61/838342361.db2.gz ROZPRKXLKPEQMT-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132314394 838362060 /nfs/dbraw/zinc/36/20/60/838362060.db2.gz KGYQVQUNMTWLAL-TZMCWYRMSA-N 1 2 289.383 0.730 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132314394 838362069 /nfs/dbraw/zinc/36/20/69/838362069.db2.gz KGYQVQUNMTWLAL-TZMCWYRMSA-N 1 2 289.383 0.730 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001110356882 844341467 /nfs/dbraw/zinc/34/14/67/844341467.db2.gz UTODJUDAJXMVIV-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001133194503 838573675 /nfs/dbraw/zinc/57/36/75/838573675.db2.gz GTZNAVAVFABDHY-RYUDHWBXSA-N 1 2 275.356 0.550 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001134061914 838845919 /nfs/dbraw/zinc/84/59/19/838845919.db2.gz JIJRWUQRCCBHMW-PWSUYJOCSA-N 1 2 280.328 0.175 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001134062002 838847319 /nfs/dbraw/zinc/84/73/19/838847319.db2.gz NMVGZRSPHALHBD-MNOVXSKESA-N 1 2 280.328 0.175 20 30 CCEDLO C=CCCc1ccc(C(=O)NC2C[NH+](C)C2)c(=O)[nH]1 ZINC001185362916 844402893 /nfs/dbraw/zinc/40/28/93/844402893.db2.gz PRMKTYXCTKTQTB-UHFFFAOYSA-N 1 2 261.325 0.950 20 30 CCEDLO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135407829 839241235 /nfs/dbraw/zinc/24/12/35/839241235.db2.gz OAKYYVQVGJJIMJ-BDAKNGLRSA-N 1 2 252.293 0.669 20 30 CCEDLO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)ncc1C#N ZINC001185865411 844469464 /nfs/dbraw/zinc/46/94/64/844469464.db2.gz KMNCFUISCNADCK-CYBMUJFWSA-N 1 2 257.341 0.673 20 30 CCEDLO C=C(Cl)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847503 839851790 /nfs/dbraw/zinc/85/17/90/839851790.db2.gz WXXLPCXCGBFPFJ-NWDGAFQWSA-N 1 2 298.774 0.187 20 30 CCEDLO CC1(C)CN(Cc2ccc(C#N)cn2)CC[N@@H+]1CC(N)=O ZINC001144162986 839964402 /nfs/dbraw/zinc/96/44/02/839964402.db2.gz HATVFBFLBSDHAW-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2ccc(C#N)cn2)CC[N@H+]1CC(N)=O ZINC001144162986 839964410 /nfs/dbraw/zinc/96/44/10/839964410.db2.gz HATVFBFLBSDHAW-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001147006980 840457310 /nfs/dbraw/zinc/45/73/10/840457310.db2.gz JLAGDRRLDMXNMW-NXEZZACHSA-N 1 2 260.297 0.702 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001147006980 840457313 /nfs/dbraw/zinc/45/73/13/840457313.db2.gz JLAGDRRLDMXNMW-NXEZZACHSA-N 1 2 260.297 0.702 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)no2)nc1 ZINC001148364822 840794544 /nfs/dbraw/zinc/79/45/44/840794544.db2.gz CRMTYCZLCLDRAF-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nncs2)nc1 ZINC001148377491 840797130 /nfs/dbraw/zinc/79/71/30/840797130.db2.gz XRTIUKODSSDPHB-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCOC)C1 ZINC001148968511 840916974 /nfs/dbraw/zinc/91/69/74/840916974.db2.gz DFZDQANTQKTCFI-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCOC)C1 ZINC001148968511 840916986 /nfs/dbraw/zinc/91/69/86/840916986.db2.gz DFZDQANTQKTCFI-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc2c([nH+]1)CCOC2 ZINC001171362819 840951672 /nfs/dbraw/zinc/95/16/72/840951672.db2.gz LSNMIWBDYZWYCE-UFBFGSQYSA-N 1 2 263.297 0.802 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744461 841222183 /nfs/dbraw/zinc/22/21/83/841222183.db2.gz ABRBOSDVJYUZNA-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744461 841222192 /nfs/dbraw/zinc/22/21/92/841222192.db2.gz ABRBOSDVJYUZNA-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[C@@H]1C#N ZINC001186986560 844623293 /nfs/dbraw/zinc/62/32/93/844623293.db2.gz CVUBILLRBWCNKK-JLLWLGSASA-N 1 2 290.323 0.170 20 30 CCEDLO C=CCCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093516606 841302408 /nfs/dbraw/zinc/30/24/08/841302408.db2.gz NSJYZDUCOCMHHK-UHFFFAOYSA-N 1 2 274.328 0.858 20 30 CCEDLO C[C@H](CC(=O)NCCNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001094168209 841554073 /nfs/dbraw/zinc/55/40/73/841554073.db2.gz XPXVKOBTCCECKG-LLVKDONJSA-N 1 2 299.338 0.724 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001094330941 841605596 /nfs/dbraw/zinc/60/55/96/841605596.db2.gz YDFYUAKCLQZEIS-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1cnc(C#N)cn1 ZINC001094504158 841643974 /nfs/dbraw/zinc/64/39/74/841643974.db2.gz IIKFMMTYYDRZIZ-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO C[C@@H](CCCC#N)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001172478388 841930663 /nfs/dbraw/zinc/93/06/63/841930663.db2.gz BZBKSTGGDQBYMP-VIFPVBQESA-N 1 2 265.317 0.943 20 30 CCEDLO C#CC[NH2+]CCCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001176804368 842410855 /nfs/dbraw/zinc/41/08/55/842410855.db2.gz NALOTEDGHSTHOE-UHFFFAOYSA-N 1 2 293.289 0.173 20 30 CCEDLO C=C[C@@H]1C[C@]1(NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001176883855 842440185 /nfs/dbraw/zinc/44/01/85/842440185.db2.gz MUKYRULNOCAWCB-BXUZGUMPSA-N 1 2 277.324 0.897 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176954560 842468011 /nfs/dbraw/zinc/46/80/11/842468011.db2.gz FLSCYJLPWDAVFG-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176954560 842468018 /nfs/dbraw/zinc/46/80/18/842468018.db2.gz FLSCYJLPWDAVFG-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)C#Cc1cccnc1 ZINC001177782601 842675810 /nfs/dbraw/zinc/67/58/10/842675810.db2.gz WOFLGVOTRQBHAW-UHFFFAOYSA-N 1 2 254.293 0.526 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)n(C)n2)CC1 ZINC001177888983 842702413 /nfs/dbraw/zinc/70/24/13/842702413.db2.gz HOVHFJOQTYHKSU-UHFFFAOYSA-N 1 2 262.357 0.601 20 30 CCEDLO CCc1[nH]c(CNC(=O)[C@@]2(C#N)CCCOC2)c[nH+]1 ZINC001178669410 842894887 /nfs/dbraw/zinc/89/48/87/842894887.db2.gz IXIZDNXCMGLVTP-CYBMUJFWSA-N 1 2 262.313 0.909 20 30 CCEDLO CCc1[nH]cc(CNC(=O)[C@@]2(C#N)CCCOC2)[nH+]1 ZINC001178669410 842894897 /nfs/dbraw/zinc/89/48/97/842894897.db2.gz IXIZDNXCMGLVTP-CYBMUJFWSA-N 1 2 262.313 0.909 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001181618550 843556565 /nfs/dbraw/zinc/55/65/65/843556565.db2.gz UQOLEFYZKGXGAG-SNVBAGLBSA-N 1 2 282.369 0.431 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275336 843769172 /nfs/dbraw/zinc/76/91/72/843769172.db2.gz ANLAFTLGZDEKEO-BBBLOLIVSA-N 1 2 286.763 0.129 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275336 843769180 /nfs/dbraw/zinc/76/91/80/843769180.db2.gz ANLAFTLGZDEKEO-BBBLOLIVSA-N 1 2 286.763 0.129 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001191715385 845715862 /nfs/dbraw/zinc/71/58/62/845715862.db2.gz XMGWVXNYSZDEIB-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001191715385 845715866 /nfs/dbraw/zinc/71/58/66/845715866.db2.gz XMGWVXNYSZDEIB-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192547087 845866308 /nfs/dbraw/zinc/86/63/08/845866308.db2.gz LVSZHUMTCYHUMU-RRZSBEAOSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192547087 845866317 /nfs/dbraw/zinc/86/63/17/845866317.db2.gz LVSZHUMTCYHUMU-RRZSBEAOSA-N 1 2 288.775 0.227 20 30 CCEDLO N#CCS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001192934638 845940937 /nfs/dbraw/zinc/94/09/37/845940937.db2.gz BDZSCDYCBYDATQ-UHFFFAOYSA-N 1 2 280.353 0.447 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001193139079 846003408 /nfs/dbraw/zinc/00/34/08/846003408.db2.gz YGEFPVAANIZFAJ-LLVKDONJSA-N 1 2 289.401 0.007 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(NC(C)=O)n2)CC1 ZINC001193708854 846149274 /nfs/dbraw/zinc/14/92/74/846149274.db2.gz AGZJEIPQOUCGGC-UHFFFAOYSA-N 1 2 288.351 0.984 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cncc(C#N)c2)CC1 ZINC001194104758 846223390 /nfs/dbraw/zinc/22/33/90/846223390.db2.gz HIXBKKKKEKNJSF-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C=CCOC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001194339840 846280970 /nfs/dbraw/zinc/28/09/70/846280970.db2.gz INHYCURCGSJUTN-SNVBAGLBSA-N 1 2 267.285 0.416 20 30 CCEDLO C=CCOC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001194339839 846281021 /nfs/dbraw/zinc/28/10/21/846281021.db2.gz INHYCURCGSJUTN-JTQLQIEISA-N 1 2 267.285 0.416 20 30 CCEDLO C=CCOCC[N@@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC001194971023 846430444 /nfs/dbraw/zinc/43/04/44/846430444.db2.gz PJPQLKOYCODNSK-UHFFFAOYSA-N 1 2 296.396 0.889 20 30 CCEDLO C=CCOCC[N@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC001194971023 846430451 /nfs/dbraw/zinc/43/04/51/846430451.db2.gz PJPQLKOYCODNSK-UHFFFAOYSA-N 1 2 296.396 0.889 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001195059281 846447412 /nfs/dbraw/zinc/44/74/12/846447412.db2.gz ZKINTJKZSCOGFU-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001195059281 846447418 /nfs/dbraw/zinc/44/74/18/846447418.db2.gz ZKINTJKZSCOGFU-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001195645257 846591263 /nfs/dbraw/zinc/59/12/63/846591263.db2.gz MIVWRXXQWQPBSD-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001195645257 846591268 /nfs/dbraw/zinc/59/12/68/846591268.db2.gz MIVWRXXQWQPBSD-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001195750235 846620955 /nfs/dbraw/zinc/62/09/55/846620955.db2.gz GPLHDJDAXWSKQD-LLVKDONJSA-N 1 2 257.293 0.794 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)c(O)c1 ZINC001195750235 846620959 /nfs/dbraw/zinc/62/09/59/846620959.db2.gz GPLHDJDAXWSKQD-LLVKDONJSA-N 1 2 257.293 0.794 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001196310519 846722519 /nfs/dbraw/zinc/72/25/19/846722519.db2.gz UAAQAKSQEZYVML-UHFFFAOYSA-N 1 2 274.386 0.141 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001196310519 846722521 /nfs/dbraw/zinc/72/25/21/846722521.db2.gz UAAQAKSQEZYVML-UHFFFAOYSA-N 1 2 274.386 0.141 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198158043 847057016 /nfs/dbraw/zinc/05/70/16/847057016.db2.gz XQEBOMXROPYSMX-MNOVXSKESA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198158043 847057024 /nfs/dbraw/zinc/05/70/24/847057024.db2.gz XQEBOMXROPYSMX-MNOVXSKESA-N 1 2 254.330 0.514 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2cnc(C#N)cn2)c1 ZINC001199668432 847392595 /nfs/dbraw/zinc/39/25/95/847392595.db2.gz RYBSXZGECLNKMF-UHFFFAOYSA-N 1 2 256.269 0.054 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CC[C@@H]3C2)cc1C#N ZINC001201311463 847763597 /nfs/dbraw/zinc/76/35/97/847763597.db2.gz DYPRYLDSYBXBPN-CYBMUJFWSA-N 1 2 291.376 0.945 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CC[C@@H]3C2)cc1C#N ZINC001201311463 847763603 /nfs/dbraw/zinc/76/36/03/847763603.db2.gz DYPRYLDSYBXBPN-CYBMUJFWSA-N 1 2 291.376 0.945 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+]([C@@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907532 847817902 /nfs/dbraw/zinc/81/79/02/847817902.db2.gz NCQAXHAIOLOJGQ-WFASDCNBSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+]([C@@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907532 847817912 /nfs/dbraw/zinc/81/79/12/847817912.db2.gz NCQAXHAIOLOJGQ-WFASDCNBSA-N 1 2 296.367 0.427 20 30 CCEDLO COC(=O)CCC[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001202240010 847877807 /nfs/dbraw/zinc/87/78/07/847877807.db2.gz HUYOXBHXBJBMDC-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CC(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066693579 848411053 /nfs/dbraw/zinc/41/10/53/848411053.db2.gz CBSQCGIJPRORRL-HNNXBMFYSA-N 1 2 299.378 0.696 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c(C)n1 ZINC001274575029 848510951 /nfs/dbraw/zinc/51/09/51/848510951.db2.gz AOJAKPKGMBBPQA-ZIAGYGMSSA-N 1 2 272.352 0.917 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c(C)n1 ZINC001274575029 848510952 /nfs/dbraw/zinc/51/09/52/848510952.db2.gz AOJAKPKGMBBPQA-ZIAGYGMSSA-N 1 2 272.352 0.917 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)[nH]1 ZINC001274575029 848510963 /nfs/dbraw/zinc/51/09/63/848510963.db2.gz AOJAKPKGMBBPQA-ZIAGYGMSSA-N 1 2 272.352 0.917 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001274577150 848511129 /nfs/dbraw/zinc/51/11/29/848511129.db2.gz WAMGVTJIGBXILI-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001274577150 848511133 /nfs/dbraw/zinc/51/11/33/848511133.db2.gz WAMGVTJIGBXILI-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3cncc(C#N)c3)C2)C1 ZINC001275029227 848617468 /nfs/dbraw/zinc/61/74/68/848617468.db2.gz XENFVAIMSFYFAT-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2cc(C#N)ccn2)c1 ZINC001275173754 848656714 /nfs/dbraw/zinc/65/67/14/848656714.db2.gz HHLRTBIRPQDXRM-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N(C)CC#N ZINC001275867137 848851488 /nfs/dbraw/zinc/85/14/88/848851488.db2.gz ZLUUSAAIHIQORN-VXGBXAGGSA-N 1 2 275.356 0.406 20 30 CCEDLO Cc1nc(N(C)CCCNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001095507109 848966456 /nfs/dbraw/zinc/96/64/56/848966456.db2.gz HNKOQNQPONLISK-JTQLQIEISA-N 1 2 261.329 0.887 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095638747 849003275 /nfs/dbraw/zinc/00/32/75/849003275.db2.gz DIGTYNOHBCJBHW-LBPRGKRZSA-N 1 2 290.367 0.766 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncc1C)C2 ZINC001095768544 849137263 /nfs/dbraw/zinc/13/72/63/849137263.db2.gz IPNWPFVTNLZVQI-RDBSUJKOSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncc1C)C2 ZINC001095768544 849137271 /nfs/dbraw/zinc/13/72/71/849137271.db2.gz IPNWPFVTNLZVQI-RDBSUJKOSA-N 1 2 272.352 0.546 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]cc-2c1=O ZINC001038300497 849841101 /nfs/dbraw/zinc/84/11/01/849841101.db2.gz HZLIEXZIGHOBGM-LLVKDONJSA-N 1 2 298.346 0.913 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]cc-2c1=O ZINC001038300497 849841107 /nfs/dbraw/zinc/84/11/07/849841107.db2.gz HZLIEXZIGHOBGM-LLVKDONJSA-N 1 2 298.346 0.913 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316844 849849134 /nfs/dbraw/zinc/84/91/34/849849134.db2.gz YKGAQTJMOPPHRG-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316844 849849142 /nfs/dbraw/zinc/84/91/42/849849142.db2.gz YKGAQTJMOPPHRG-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nnn1CC ZINC001038326995 849850798 /nfs/dbraw/zinc/85/07/98/849850798.db2.gz XOEPSZKFWANGBJ-LLVKDONJSA-N 1 2 261.329 0.044 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nnn1CC ZINC001038326995 849850803 /nfs/dbraw/zinc/85/08/03/849850803.db2.gz XOEPSZKFWANGBJ-LLVKDONJSA-N 1 2 261.329 0.044 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038398771 849881581 /nfs/dbraw/zinc/88/15/81/849881581.db2.gz QWWZGHQKBHGGNH-LLVKDONJSA-N 1 2 276.340 0.636 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038398771 849881587 /nfs/dbraw/zinc/88/15/87/849881587.db2.gz QWWZGHQKBHGGNH-LLVKDONJSA-N 1 2 276.340 0.636 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(cc[nH]c2=O)n1 ZINC001038425621 849893224 /nfs/dbraw/zinc/89/32/24/849893224.db2.gz BOSQBTNKWWBGJT-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(cc[nH]c2=O)n1 ZINC001038425621 849893226 /nfs/dbraw/zinc/89/32/26/849893226.db2.gz BOSQBTNKWWBGJT-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO CC#CCN1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442939 849901394 /nfs/dbraw/zinc/90/13/94/849901394.db2.gz SJCKBXWXSIGGDL-LBPRGKRZSA-N 1 2 290.367 0.564 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038499602 849925041 /nfs/dbraw/zinc/92/50/41/849925041.db2.gz XKBIZSRGGSJMID-LBPRGKRZSA-N 1 2 288.351 0.493 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038499602 849925049 /nfs/dbraw/zinc/92/50/49/849925049.db2.gz XKBIZSRGGSJMID-LBPRGKRZSA-N 1 2 288.351 0.493 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001038782715 850015180 /nfs/dbraw/zinc/01/51/80/850015180.db2.gz QPWDAQDPYPYGNQ-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001038782715 850015188 /nfs/dbraw/zinc/01/51/88/850015188.db2.gz QPWDAQDPYPYGNQ-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001038871484 850061312 /nfs/dbraw/zinc/06/13/12/850061312.db2.gz ILBYYBFAXSLBCW-NSHDSACASA-N 1 2 261.325 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001038871484 850061321 /nfs/dbraw/zinc/06/13/21/850061321.db2.gz ILBYYBFAXSLBCW-NSHDSACASA-N 1 2 261.325 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001038896270 850072975 /nfs/dbraw/zinc/07/29/75/850072975.db2.gz ZWPJJLIAKSCVKU-RYUDHWBXSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001038896270 850072989 /nfs/dbraw/zinc/07/29/89/850072989.db2.gz ZWPJJLIAKSCVKU-RYUDHWBXSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001038896270 850072999 /nfs/dbraw/zinc/07/29/99/850072999.db2.gz ZWPJJLIAKSCVKU-RYUDHWBXSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001038896270 850073003 /nfs/dbraw/zinc/07/30/03/850073003.db2.gz ZWPJJLIAKSCVKU-RYUDHWBXSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001038896271 850074914 /nfs/dbraw/zinc/07/49/14/850074914.db2.gz ZWPJJLIAKSCVKU-VXGBXAGGSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001038896271 850074919 /nfs/dbraw/zinc/07/49/19/850074919.db2.gz ZWPJJLIAKSCVKU-VXGBXAGGSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001038896271 850074926 /nfs/dbraw/zinc/07/49/26/850074926.db2.gz ZWPJJLIAKSCVKU-VXGBXAGGSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001038896271 850074933 /nfs/dbraw/zinc/07/49/33/850074933.db2.gz ZWPJJLIAKSCVKU-VXGBXAGGSA-N 1 2 274.368 0.891 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942834 850096962 /nfs/dbraw/zinc/09/69/62/850096962.db2.gz LESGLCCPLSMQQM-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942834 850096971 /nfs/dbraw/zinc/09/69/71/850096971.db2.gz LESGLCCPLSMQQM-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1OC ZINC001038961893 850102026 /nfs/dbraw/zinc/10/20/26/850102026.db2.gz NURPZLUWADMZNA-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1OC ZINC001038961893 850102034 /nfs/dbraw/zinc/10/20/34/850102034.db2.gz NURPZLUWADMZNA-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001039039621 850134225 /nfs/dbraw/zinc/13/42/25/850134225.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 1 2 281.400 0.474 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001039039621 850134231 /nfs/dbraw/zinc/13/42/31/850134231.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 1 2 281.400 0.474 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041807439 850506473 /nfs/dbraw/zinc/50/64/73/850506473.db2.gz LBIODGUNKLTESJ-OAHLLOKOSA-N 1 2 287.367 0.709 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042373106 850621925 /nfs/dbraw/zinc/62/19/25/850621925.db2.gz DLIRTXSCMHKFSF-OLZOCXBDSA-N 1 2 273.340 0.329 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001042616472 850714152 /nfs/dbraw/zinc/71/41/52/850714152.db2.gz OOIUYASSRCBVMW-JTQLQIEISA-N 1 2 252.314 0.268 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cncnc2)C1 ZINC001042665404 850728190 /nfs/dbraw/zinc/72/81/90/850728190.db2.gz ULDCNAXOFLELOK-UHFFFAOYSA-N 1 2 260.341 0.738 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001042973425 850789537 /nfs/dbraw/zinc/78/95/37/850789537.db2.gz LJIJOTUWBDFBSS-UHFFFAOYSA-N 1 2 285.351 0.911 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001043113720 850816940 /nfs/dbraw/zinc/81/69/40/850816940.db2.gz RAHUMCLEAJVYCX-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043140185 850821285 /nfs/dbraw/zinc/82/12/85/850821285.db2.gz LJGJBUQUEISOTB-GFCCVEGCSA-N 1 2 272.352 0.221 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3nccn3c2)C1 ZINC001043345127 850857785 /nfs/dbraw/zinc/85/77/85/850857785.db2.gz TZVKFTIIBPVDLQ-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001043641999 850911457 /nfs/dbraw/zinc/91/14/57/850911457.db2.gz LDEJQKWMFZJHIM-ZDUSSCGKSA-N 1 2 254.305 0.281 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001043887274 850956034 /nfs/dbraw/zinc/95/60/34/850956034.db2.gz XRWVAVQZWUTMLO-UHFFFAOYSA-N 1 2 289.383 0.486 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001043934390 850965907 /nfs/dbraw/zinc/96/59/07/850965907.db2.gz AASWYCSBJNUFBG-UPJWGTAASA-N 1 2 250.342 0.883 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001043997830 850981335 /nfs/dbraw/zinc/98/13/35/850981335.db2.gz KRWUABMFUQUUFJ-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC001044045992 850991266 /nfs/dbraw/zinc/99/12/66/850991266.db2.gz VFQIVRPXGJOJFU-UHFFFAOYSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2conc2COC)C1 ZINC001044174406 851032570 /nfs/dbraw/zinc/03/25/70/851032570.db2.gz IXWDZOXFSGUOSC-UHFFFAOYSA-N 1 2 277.324 0.601 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3cc[nH]c23)C1 ZINC001044230457 851046628 /nfs/dbraw/zinc/04/66/28/851046628.db2.gz OGYBVRVECYXAAQ-UHFFFAOYSA-N 1 2 273.340 0.995 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001044962547 851194936 /nfs/dbraw/zinc/19/49/36/851194936.db2.gz NBGASUQUUYLNEN-ONGXEEELSA-N 1 2 277.328 0.618 20 30 CCEDLO C/C=C(\C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046021083 851354640 /nfs/dbraw/zinc/35/46/40/851354640.db2.gz ZWQYMJFGGYIQJZ-XHAHAKLZSA-N 1 2 276.384 0.695 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046197169 851416490 /nfs/dbraw/zinc/41/64/90/851416490.db2.gz JCEYSUNXMODYJS-ZWNOBZJWSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046197169 851416498 /nfs/dbraw/zinc/41/64/98/851416498.db2.gz JCEYSUNXMODYJS-ZWNOBZJWSA-N 1 2 285.775 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440734 851507325 /nfs/dbraw/zinc/50/73/25/851507325.db2.gz UKLCVXLRTAQEDN-OAHLLOKOSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440734 851507328 /nfs/dbraw/zinc/50/73/28/851507328.db2.gz UKLCVXLRTAQEDN-OAHLLOKOSA-N 1 2 272.352 0.726 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN(CC#N)C1 ZINC001046612589 851565275 /nfs/dbraw/zinc/56/52/75/851565275.db2.gz RMVZYNXEIAPBFH-NHYWBVRUSA-N 1 2 287.367 0.934 20 30 CCEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047429289 851761299 /nfs/dbraw/zinc/76/12/99/851761299.db2.gz RYDGJOBRURUOIR-KBPBESRZSA-N 1 2 299.334 0.204 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2CC)C1 ZINC001047550273 851813604 /nfs/dbraw/zinc/81/36/04/851813604.db2.gz WXZPDNKKHUXHGX-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2CC)C1 ZINC001047550273 851813607 /nfs/dbraw/zinc/81/36/07/851813607.db2.gz WXZPDNKKHUXHGX-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001047593748 851828165 /nfs/dbraw/zinc/82/81/65/851828165.db2.gz UMUCKMRZICGDGV-STQMWFEESA-N 1 2 290.363 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001047593748 851828171 /nfs/dbraw/zinc/82/81/71/851828171.db2.gz UMUCKMRZICGDGV-STQMWFEESA-N 1 2 290.363 0.901 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048813724 852074280 /nfs/dbraw/zinc/07/42/80/852074280.db2.gz SVINDXYTCSEIPC-BETUJISGSA-N 1 2 286.335 0.373 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048813724 852074293 /nfs/dbraw/zinc/07/42/93/852074293.db2.gz SVINDXYTCSEIPC-BETUJISGSA-N 1 2 286.335 0.373 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001097791820 852614483 /nfs/dbraw/zinc/61/44/83/852614483.db2.gz GSEWXJOUNPHFML-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnccn1)CCO2 ZINC001053132099 852691970 /nfs/dbraw/zinc/69/19/70/852691970.db2.gz CWDNQTXWGIQBFL-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)CCO2 ZINC001053417958 852741573 /nfs/dbraw/zinc/74/15/73/852741573.db2.gz VFBCWEWCEGTSOY-UHFFFAOYSA-N 1 2 294.330 0.652 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnn1)O2 ZINC001053679601 852776233 /nfs/dbraw/zinc/77/62/33/852776233.db2.gz IPWIYRUQLSQPJN-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC1)CO2 ZINC001053719845 852787142 /nfs/dbraw/zinc/78/71/42/852787142.db2.gz IRUGDIICCMBSTL-CYBMUJFWSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]nc1C)CO2 ZINC001053887195 852839936 /nfs/dbraw/zinc/83/99/36/852839936.db2.gz JKBUSENRZZQYJU-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054023828 852870596 /nfs/dbraw/zinc/87/05/96/852870596.db2.gz HLTUBKNNVYRBEQ-GFCCVEGCSA-N 1 2 276.340 0.029 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001097921111 852871039 /nfs/dbraw/zinc/87/10/39/852871039.db2.gz CYXJVRGXXDRPRF-LLVKDONJSA-N 1 2 284.323 0.188 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054976545 853047677 /nfs/dbraw/zinc/04/76/77/853047677.db2.gz NEZGFOOIPBRFAA-GHMZBOCLSA-N 1 2 292.387 0.359 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCOCC1 ZINC001050778476 853430348 /nfs/dbraw/zinc/43/03/48/853430348.db2.gz OMJREHCDRJTFGB-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCOCC1 ZINC001050778476 853430352 /nfs/dbraw/zinc/43/03/52/853430352.db2.gz OMJREHCDRJTFGB-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1=COCCO1 ZINC001050804603 853441200 /nfs/dbraw/zinc/44/12/00/853441200.db2.gz WNXKBMQQQMHZRP-GFCCVEGCSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1=COCCO1 ZINC001050804603 853441204 /nfs/dbraw/zinc/44/12/04/853441204.db2.gz WNXKBMQQQMHZRP-GFCCVEGCSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001050809443 853442346 /nfs/dbraw/zinc/44/23/46/853442346.db2.gz KAOMSCRBZOJBIV-ZDUSSCGKSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001050809443 853442357 /nfs/dbraw/zinc/44/23/57/853442357.db2.gz KAOMSCRBZOJBIV-ZDUSSCGKSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001050827126 853449367 /nfs/dbraw/zinc/44/93/67/853449367.db2.gz DIWLVCMCXBBRHU-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001050827126 853449369 /nfs/dbraw/zinc/44/93/69/853449369.db2.gz DIWLVCMCXBBRHU-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001051074355 853518300 /nfs/dbraw/zinc/51/83/00/853518300.db2.gz MBZQZDYLDVSYIB-MQYQWHSLSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001051074355 853518308 /nfs/dbraw/zinc/51/83/08/853518308.db2.gz MBZQZDYLDVSYIB-MQYQWHSLSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001051156159 853535480 /nfs/dbraw/zinc/53/54/80/853535480.db2.gz UJMCGVNLWPNXLM-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001051156159 853535490 /nfs/dbraw/zinc/53/54/90/853535490.db2.gz UJMCGVNLWPNXLM-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)nc1 ZINC001051215652 853547868 /nfs/dbraw/zinc/54/78/68/853547868.db2.gz YABHYASYWRTBDL-HNNXBMFYSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)nc1 ZINC001051215652 853547869 /nfs/dbraw/zinc/54/78/69/853547869.db2.gz YABHYASYWRTBDL-HNNXBMFYSA-N 1 2 299.374 0.904 20 30 CCEDLO C#CC[N@H+]1CCc2c(CNC(=O)c3ncn[nH]3)cccc2C1 ZINC001051302903 853559708 /nfs/dbraw/zinc/55/97/08/853559708.db2.gz DBHNYDXKVDXQFI-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO C#CC[N@@H+]1CCc2c(CNC(=O)c3ncn[nH]3)cccc2C1 ZINC001051302903 853559714 /nfs/dbraw/zinc/55/97/14/853559714.db2.gz DBHNYDXKVDXQFI-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO C#CC[N@H+]1CCc2c(CNC(=O)c3nc[nH]n3)cccc2C1 ZINC001051302903 853559722 /nfs/dbraw/zinc/55/97/22/853559722.db2.gz DBHNYDXKVDXQFI-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO C#CC[N@@H+]1CCc2c(CNC(=O)c3nc[nH]n3)cccc2C1 ZINC001051302903 853559729 /nfs/dbraw/zinc/55/97/29/853559729.db2.gz DBHNYDXKVDXQFI-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051989424 853669807 /nfs/dbraw/zinc/66/98/07/853669807.db2.gz FVWUUYSVXJIAFC-GFCCVEGCSA-N 1 2 289.339 0.030 20 30 CCEDLO CC[C@H](OC)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051995392 853671696 /nfs/dbraw/zinc/67/16/96/853671696.db2.gz DBMJHSCYGKYFBF-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001069888535 853994715 /nfs/dbraw/zinc/99/47/15/853994715.db2.gz CIDUYNYZOWOWQZ-MNOVXSKESA-N 1 2 299.325 0.851 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001069888535 853994717 /nfs/dbraw/zinc/99/47/17/853994717.db2.gz CIDUYNYZOWOWQZ-MNOVXSKESA-N 1 2 299.325 0.851 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NCC#N ZINC001070619762 854082881 /nfs/dbraw/zinc/08/28/81/854082881.db2.gz JWLCCDRPADANRQ-DGCLKSJQSA-N 1 2 298.350 0.470 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC(C)C)CC1 ZINC001070933382 854102621 /nfs/dbraw/zinc/10/26/21/854102621.db2.gz IZGKKWXEOJEFMU-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC(C)C)CC1 ZINC001070933382 854102624 /nfs/dbraw/zinc/10/26/24/854102624.db2.gz IZGKKWXEOJEFMU-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001070947206 854109022 /nfs/dbraw/zinc/10/90/22/854109022.db2.gz MPCWCBITNAVDIG-ZDUSSCGKSA-N 1 2 292.383 0.373 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001070947206 854109023 /nfs/dbraw/zinc/10/90/23/854109023.db2.gz MPCWCBITNAVDIG-ZDUSSCGKSA-N 1 2 292.383 0.373 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001070996130 854113276 /nfs/dbraw/zinc/11/32/76/854113276.db2.gz IOQBPHPGHOBLSB-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001070996130 854113281 /nfs/dbraw/zinc/11/32/81/854113281.db2.gz IOQBPHPGHOBLSB-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071176810 854133543 /nfs/dbraw/zinc/13/35/43/854133543.db2.gz CEMZBMSZYLCHPL-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078549 854525595 /nfs/dbraw/zinc/52/55/95/854525595.db2.gz OVIXBZAUBAMFGJ-UHFFFAOYSA-N 1 2 259.313 0.010 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001074285369 854708598 /nfs/dbraw/zinc/70/85/98/854708598.db2.gz ZKRYTIOSVAUMMY-QWHCGFSZSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001074285369 854708607 /nfs/dbraw/zinc/70/86/07/854708607.db2.gz ZKRYTIOSVAUMMY-QWHCGFSZSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001074360631 854715179 /nfs/dbraw/zinc/71/51/79/854715179.db2.gz OSIBPXCZSFABNO-RYUDHWBXSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001074360631 854715184 /nfs/dbraw/zinc/71/51/84/854715184.db2.gz OSIBPXCZSFABNO-RYUDHWBXSA-N 1 2 291.355 0.296 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001074570118 854750014 /nfs/dbraw/zinc/75/00/14/854750014.db2.gz ORPJIDCHOCELSQ-VWYCJHECSA-N 1 2 291.355 0.871 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001099261262 854923859 /nfs/dbraw/zinc/92/38/59/854923859.db2.gz AFNLRTPAKVHXHX-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO Cc1cc(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001101728954 855355523 /nfs/dbraw/zinc/35/55/23/855355523.db2.gz RXBCZAGYJMJNNC-UHFFFAOYSA-N 1 2 298.350 0.520 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2nnccc2C#N)C1 ZINC000400753070 855609287 /nfs/dbraw/zinc/60/92/87/855609287.db2.gz DRNRZQWRTKCSBI-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2nnccc2C#N)C1 ZINC000400753070 855609291 /nfs/dbraw/zinc/60/92/91/855609291.db2.gz DRNRZQWRTKCSBI-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323245404 912215068 /nfs/dbraw/zinc/21/50/68/912215068.db2.gz DWIXMYZHARPYDR-ILXRZTDVSA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323245404 912215089 /nfs/dbraw/zinc/21/50/89/912215089.db2.gz DWIXMYZHARPYDR-ILXRZTDVSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001323265214 912233384 /nfs/dbraw/zinc/23/33/84/912233384.db2.gz ZHBPBTDJFJVNFZ-AWEZNQCLSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001323265214 912233399 /nfs/dbraw/zinc/23/33/99/912233399.db2.gz ZHBPBTDJFJVNFZ-AWEZNQCLSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001323493325 912371178 /nfs/dbraw/zinc/37/11/78/912371178.db2.gz BDHVVFYRIKNZRE-BXUZGUMPSA-N 1 2 286.379 0.947 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](OC)C2CC2)C1 ZINC001323921354 912582482 /nfs/dbraw/zinc/58/24/82/912582482.db2.gz LGDSNEKOFVVOKX-ZDUSSCGKSA-N 1 2 250.342 0.577 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001324043230 912640585 /nfs/dbraw/zinc/64/05/85/912640585.db2.gz UXTHWBJOBHNYIJ-UHFFFAOYSA-N 1 2 253.265 0.847 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001325098554 913210143 /nfs/dbraw/zinc/21/01/43/913210143.db2.gz KANWLYZQZFHSJK-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc(C)oc2C)C1 ZINC001325173705 913259530 /nfs/dbraw/zinc/25/95/30/913259530.db2.gz DKMVPCNUESWMIZ-UHFFFAOYSA-N 1 2 276.336 0.696 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)CC#N ZINC001328337587 915121699 /nfs/dbraw/zinc/12/16/99/915121699.db2.gz JQKXMJULXUGKTA-SCZZXKLOSA-N 1 2 264.285 0.160 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)CC#N ZINC001328337587 915121705 /nfs/dbraw/zinc/12/17/05/915121705.db2.gz JQKXMJULXUGKTA-SCZZXKLOSA-N 1 2 264.285 0.160 20 30 CCEDLO C[C@@H]1CC[C@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001480901013 891720511 /nfs/dbraw/zinc/72/05/11/891720511.db2.gz HVGTUFPKVRMVPA-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@@H]1CC[C@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480901013 891720519 /nfs/dbraw/zinc/72/05/19/891720519.db2.gz HVGTUFPKVRMVPA-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO CCC(C)(CC)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001480948404 891925950 /nfs/dbraw/zinc/92/59/50/891925950.db2.gz GCZYONUQIXACJS-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO CCC(C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001480948404 891925963 /nfs/dbraw/zinc/92/59/63/891925963.db2.gz GCZYONUQIXACJS-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCN1CC#N ZINC001481067085 892128271 /nfs/dbraw/zinc/12/82/71/892128271.db2.gz JPKYMKFCSFHQMI-NSHDSACASA-N 1 2 261.329 0.365 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001353202057 892296231 /nfs/dbraw/zinc/29/62/31/892296231.db2.gz XMSUIJPQFHMVKQ-RYUDHWBXSA-N 1 2 268.357 0.952 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001267909747 892507702 /nfs/dbraw/zinc/50/77/02/892507702.db2.gz BOPGOHSBRPKWQD-CHWSQXEVSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001267909747 892507721 /nfs/dbraw/zinc/50/77/21/892507721.db2.gz BOPGOHSBRPKWQD-CHWSQXEVSA-N 1 2 279.384 0.363 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481397696 892610474 /nfs/dbraw/zinc/61/04/74/892610474.db2.gz RLARKFBFSBKWFG-ZDUSSCGKSA-N 1 2 277.368 0.198 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481397696 892610485 /nfs/dbraw/zinc/61/04/85/892610485.db2.gz RLARKFBFSBKWFG-ZDUSSCGKSA-N 1 2 277.368 0.198 20 30 CCEDLO CCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481464576 892703847 /nfs/dbraw/zinc/70/38/47/892703847.db2.gz HYIKSSBKXBNNTN-UHFFFAOYSA-N 1 2 252.362 0.386 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C2CC(OC)C2)C1 ZINC001481565945 892835809 /nfs/dbraw/zinc/83/58/09/892835809.db2.gz UNRAGFSRZKNSAB-UHFFFAOYSA-N 1 2 268.357 0.414 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001481688440 892999745 /nfs/dbraw/zinc/99/97/45/892999745.db2.gz PKYZKZQNQSWVKW-STQMWFEESA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001481688440 892999755 /nfs/dbraw/zinc/99/97/55/892999755.db2.gz PKYZKZQNQSWVKW-STQMWFEESA-N 1 2 290.367 0.149 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)C1 ZINC001481686509 893007822 /nfs/dbraw/zinc/00/78/22/893007822.db2.gz CBNDWHGXYJCVED-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)C1 ZINC001481686509 893007841 /nfs/dbraw/zinc/00/78/41/893007841.db2.gz CBNDWHGXYJCVED-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001482054162 893333985 /nfs/dbraw/zinc/33/39/85/893333985.db2.gz HDMGPNROCPPAPP-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(COCC)CC2)C1 ZINC001482193656 893493176 /nfs/dbraw/zinc/49/31/76/893493176.db2.gz XKCSYQHVOHDAMQ-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(COCC)CC2)C1 ZINC001482193656 893493179 /nfs/dbraw/zinc/49/31/79/893493179.db2.gz XKCSYQHVOHDAMQ-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001482284535 893770129 /nfs/dbraw/zinc/77/01/29/893770129.db2.gz OSRZSSQIYNDNIM-GHMZBOCLSA-N 1 2 296.396 0.513 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C)n2C)CC1 ZINC001355652095 894136305 /nfs/dbraw/zinc/13/63/05/894136305.db2.gz BLQQEOGMXWMSCZ-VXGBXAGGSA-N 1 2 259.357 0.694 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001042623415 894323877 /nfs/dbraw/zinc/32/38/77/894323877.db2.gz PSAYOYJUTGTDJE-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(N)=O ZINC001482624782 894423737 /nfs/dbraw/zinc/42/37/37/894423737.db2.gz UTPMNMKFQANLDD-UHFFFAOYSA-N 1 2 292.314 0.073 20 30 CCEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(N)=O ZINC001482624782 894423742 /nfs/dbraw/zinc/42/37/42/894423742.db2.gz UTPMNMKFQANLDD-UHFFFAOYSA-N 1 2 292.314 0.073 20 30 CCEDLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)C#CC(C)(C)C)n1 ZINC001483008072 894799179 /nfs/dbraw/zinc/79/91/79/894799179.db2.gz RHWMGMQBKNHSNC-WAYWQWQTSA-N 1 2 289.383 0.627 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001483123322 894960471 /nfs/dbraw/zinc/96/04/71/894960471.db2.gz VYACATLAOSNFEG-SNVBAGLBSA-N 1 2 266.370 0.936 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001483222927 895135079 /nfs/dbraw/zinc/13/50/79/895135079.db2.gz NXMRYLPNLFQPQI-NSHDSACASA-N 1 2 293.371 0.533 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001483381102 895521073 /nfs/dbraw/zinc/52/10/73/895521073.db2.gz SUTPQGDLGJQXPL-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001483381102 895521083 /nfs/dbraw/zinc/52/10/83/895521083.db2.gz SUTPQGDLGJQXPL-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1nc(C2CC2)nn1C ZINC001483704834 895886040 /nfs/dbraw/zinc/88/60/40/895886040.db2.gz LRDQDVGHVOVQEM-GFCCVEGCSA-N 1 2 287.367 0.059 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1nc(C2CC2)nn1C ZINC001483704834 895886046 /nfs/dbraw/zinc/88/60/46/895886046.db2.gz LRDQDVGHVOVQEM-GFCCVEGCSA-N 1 2 287.367 0.059 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NCC#N)CC1 ZINC001483768735 896034156 /nfs/dbraw/zinc/03/41/56/896034156.db2.gz SWLJOKXNWSYJSX-GHMZBOCLSA-N 1 2 273.340 0.286 20 30 CCEDLO C#CCCCCCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001483874851 896099280 /nfs/dbraw/zinc/09/92/80/896099280.db2.gz DKNHVJVOIYSEDD-UHFFFAOYSA-N 1 2 252.358 0.705 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001483886440 896106627 /nfs/dbraw/zinc/10/66/27/896106627.db2.gz WUHTYWCPLKBABE-GFCCVEGCSA-N 1 2 294.399 0.235 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CNCC#N ZINC001483947629 896129508 /nfs/dbraw/zinc/12/95/08/896129508.db2.gz UCMRWZXVVBFQOU-WCQYABFASA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CNCC#N ZINC001483947629 896129512 /nfs/dbraw/zinc/12/95/12/896129512.db2.gz UCMRWZXVVBFQOU-WCQYABFASA-N 1 2 275.356 0.692 20 30 CCEDLO N#CCSCC(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001326613356 914045402 /nfs/dbraw/zinc/04/54/02/914045402.db2.gz TZJYIIWZQZRYET-CYBMUJFWSA-N 1 2 297.424 0.860 20 30 CCEDLO N#CCSCC(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001326613356 914045413 /nfs/dbraw/zinc/04/54/13/914045413.db2.gz TZJYIIWZQZRYET-CYBMUJFWSA-N 1 2 297.424 0.860 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H](C)OC ZINC001326629795 914064494 /nfs/dbraw/zinc/06/44/94/914064494.db2.gz VVWNGMBQTBSEDT-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H](C)OC ZINC001326629795 914064514 /nfs/dbraw/zinc/06/45/14/914064514.db2.gz VVWNGMBQTBSEDT-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001484717426 896555241 /nfs/dbraw/zinc/55/52/41/896555241.db2.gz BRZHLEMNGGTAFN-ZDUSSCGKSA-N 1 2 289.383 0.847 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)OC)CO2 ZINC001484792324 896609513 /nfs/dbraw/zinc/60/95/13/896609513.db2.gz KHRLRQXIDYTASU-CHWSQXEVSA-N 1 2 280.368 0.394 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001485194318 896855039 /nfs/dbraw/zinc/85/50/39/896855039.db2.gz OLYXLIONUBSPHR-NXEZZACHSA-N 1 2 285.779 0.973 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001485522119 897104672 /nfs/dbraw/zinc/10/46/72/897104672.db2.gz HFOXFOOPVLPFPG-QMTHXVAHSA-N 1 2 299.802 0.702 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001485559295 897113213 /nfs/dbraw/zinc/11/32/13/897113213.db2.gz OSLKLIWIOAKIQO-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001485559295 897113219 /nfs/dbraw/zinc/11/32/19/897113219.db2.gz OSLKLIWIOAKIQO-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001326760266 914146905 /nfs/dbraw/zinc/14/69/05/914146905.db2.gz MTMFNAUNAZQJPU-GFCCVEGCSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(C)c1 ZINC001032374705 897351697 /nfs/dbraw/zinc/35/16/97/897351697.db2.gz HAOCSWJDRHHKBP-KBPBESRZSA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(C)c1 ZINC001032374705 897351710 /nfs/dbraw/zinc/35/17/10/897351710.db2.gz HAOCSWJDRHHKBP-KBPBESRZSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 ZINC001032378966 897368880 /nfs/dbraw/zinc/36/88/80/897368880.db2.gz AVUIECZMYVAZRP-RYUDHWBXSA-N 1 2 258.325 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 ZINC001032378966 897368891 /nfs/dbraw/zinc/36/88/91/897368891.db2.gz AVUIECZMYVAZRP-RYUDHWBXSA-N 1 2 258.325 0.261 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)[nH]n2)C1 ZINC001107860835 897379089 /nfs/dbraw/zinc/37/90/89/897379089.db2.gz YUGGDMYHRBPZKO-HNNXBMFYSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)[nH]n2)C1 ZINC001107860835 897379106 /nfs/dbraw/zinc/37/91/06/897379106.db2.gz YUGGDMYHRBPZKO-HNNXBMFYSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)n[nH]2)C1 ZINC001107860835 897379121 /nfs/dbraw/zinc/37/91/21/897379121.db2.gz YUGGDMYHRBPZKO-HNNXBMFYSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)n[nH]2)C1 ZINC001107860835 897379133 /nfs/dbraw/zinc/37/91/33/897379133.db2.gz YUGGDMYHRBPZKO-HNNXBMFYSA-N 1 2 292.383 0.654 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001077743992 897392576 /nfs/dbraw/zinc/39/25/76/897392576.db2.gz YJOKFKJZIXOSTN-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001077743992 897392587 /nfs/dbraw/zinc/39/25/87/897392587.db2.gz YJOKFKJZIXOSTN-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107900505 897465315 /nfs/dbraw/zinc/46/53/15/897465315.db2.gz QPLCSPRILLYHSW-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407557 897472996 /nfs/dbraw/zinc/47/29/96/897472996.db2.gz IOALJSVMONHUHN-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407557 897473004 /nfs/dbraw/zinc/47/30/04/897473004.db2.gz IOALJSVMONHUHN-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107929862 897511357 /nfs/dbraw/zinc/51/13/57/897511357.db2.gz AKCMLDRYWAHPOO-OAHLLOKOSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107929862 897511369 /nfs/dbraw/zinc/51/13/69/897511369.db2.gz AKCMLDRYWAHPOO-OAHLLOKOSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001107937665 897522082 /nfs/dbraw/zinc/52/20/82/897522082.db2.gz BCQTZGBDXLXQKM-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001107937665 897522094 /nfs/dbraw/zinc/52/20/94/897522094.db2.gz BCQTZGBDXLXQKM-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nn(C)cc2C)C1 ZINC001107938476 897524150 /nfs/dbraw/zinc/52/41/50/897524150.db2.gz RRCTVJTYFHNHMV-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nn(C)cc2C)C1 ZINC001107938476 897524162 /nfs/dbraw/zinc/52/41/62/897524162.db2.gz RRCTVJTYFHNHMV-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107948008 897549877 /nfs/dbraw/zinc/54/98/77/897549877.db2.gz JUYNCZPFXJMQHQ-MNOVXSKESA-N 1 2 276.340 0.740 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001032474915 897618824 /nfs/dbraw/zinc/61/88/24/897618824.db2.gz ANSMZALMGLRWDT-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001032474915 897618831 /nfs/dbraw/zinc/61/88/31/897618831.db2.gz ANSMZALMGLRWDT-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nccn2C1 ZINC001032484884 897635621 /nfs/dbraw/zinc/63/56/21/897635621.db2.gz QVMZHBUGOBFZHC-KKUMJFAQSA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nccn2C1 ZINC001032484884 897635626 /nfs/dbraw/zinc/63/56/26/897635626.db2.gz QVMZHBUGOBFZHC-KKUMJFAQSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032510851 897672399 /nfs/dbraw/zinc/67/23/99/897672399.db2.gz MNJDFPUNUWRKQR-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032510851 897672409 /nfs/dbraw/zinc/67/24/09/897672409.db2.gz MNJDFPUNUWRKQR-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C=CCOCC(=O)NCC1([NH2+]Cc2csnn2)CCC1 ZINC001326800165 914183331 /nfs/dbraw/zinc/18/33/31/914183331.db2.gz ZTRYQQFKPKPBDO-UHFFFAOYSA-N 1 2 296.396 0.869 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncc2cccnc21 ZINC001032527557 897706245 /nfs/dbraw/zinc/70/62/45/897706245.db2.gz FVOZBWCERJFUSR-KBPBESRZSA-N 1 2 295.346 0.350 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncc2cccnc21 ZINC001032527557 897706253 /nfs/dbraw/zinc/70/62/53/897706253.db2.gz FVOZBWCERJFUSR-KBPBESRZSA-N 1 2 295.346 0.350 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(C)on1 ZINC001032620957 897836790 /nfs/dbraw/zinc/83/67/90/897836790.db2.gz ORMTYHYNPRBLNG-KBPBESRZSA-N 1 2 273.336 0.834 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(C)on1 ZINC001032620957 897836798 /nfs/dbraw/zinc/83/67/98/897836798.db2.gz ORMTYHYNPRBLNG-KBPBESRZSA-N 1 2 273.336 0.834 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C ZINC001032655702 897901786 /nfs/dbraw/zinc/90/17/86/897901786.db2.gz AFLHDDUYAJQOBD-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C ZINC001032655702 897901795 /nfs/dbraw/zinc/90/17/95/897901795.db2.gz AFLHDDUYAJQOBD-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn(C)nc1C ZINC001032663528 897913585 /nfs/dbraw/zinc/91/35/85/897913585.db2.gz QOYIEXIWBSYUPL-GJZGRUSLSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn(C)nc1C ZINC001032663528 897913600 /nfs/dbraw/zinc/91/36/00/897913600.db2.gz QOYIEXIWBSYUPL-GJZGRUSLSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn[nH]c1 ZINC001032673721 897924767 /nfs/dbraw/zinc/92/47/67/897924767.db2.gz BHYXKWWUWPHDQI-STQMWFEESA-N 1 2 258.325 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn[nH]c1 ZINC001032673721 897924783 /nfs/dbraw/zinc/92/47/83/897924783.db2.gz BHYXKWWUWPHDQI-STQMWFEESA-N 1 2 258.325 0.261 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nn1 ZINC001032705474 897944178 /nfs/dbraw/zinc/94/41/78/897944178.db2.gz UZGWVQANPGZMFM-STQMWFEESA-N 1 2 287.367 0.610 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nn1 ZINC001032705474 897944189 /nfs/dbraw/zinc/94/41/89/897944189.db2.gz UZGWVQANPGZMFM-STQMWFEESA-N 1 2 287.367 0.610 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001032707033 897949141 /nfs/dbraw/zinc/94/91/41/897949141.db2.gz LABTWPJMOZWDOL-SNPRPXQTSA-N 1 2 286.379 0.517 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001032707033 897949151 /nfs/dbraw/zinc/94/91/51/897949151.db2.gz LABTWPJMOZWDOL-SNPRPXQTSA-N 1 2 286.379 0.517 20 30 CCEDLO C[C@@H](CCNCC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272874216 898100743 /nfs/dbraw/zinc/10/07/43/898100743.db2.gz SHNUUKVYLZLNEB-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001032777548 898168783 /nfs/dbraw/zinc/16/87/83/898168783.db2.gz HVMXYHRVMBNQPI-GJZGRUSLSA-N 1 2 297.358 0.708 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001032777548 898168795 /nfs/dbraw/zinc/16/87/95/898168795.db2.gz HVMXYHRVMBNQPI-GJZGRUSLSA-N 1 2 297.358 0.708 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001397485040 914231055 /nfs/dbraw/zinc/23/10/55/914231055.db2.gz JVOMHCOXNOGDQF-NXEZZACHSA-N 1 2 299.334 0.957 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)n1 ZINC001032808276 898393952 /nfs/dbraw/zinc/39/39/52/898393952.db2.gz QLUVRVCOQUVFQR-RYUDHWBXSA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)n1 ZINC001032808276 898393965 /nfs/dbraw/zinc/39/39/65/898393965.db2.gz QLUVRVCOQUVFQR-RYUDHWBXSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337220 898805901 /nfs/dbraw/zinc/80/59/01/898805901.db2.gz ICCVPTSIUQXQJB-RKDXNWHRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337220 898805917 /nfs/dbraw/zinc/80/59/17/898805917.db2.gz ICCVPTSIUQXQJB-RKDXNWHRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486337220 898805936 /nfs/dbraw/zinc/80/59/36/898805936.db2.gz ICCVPTSIUQXQJB-RKDXNWHRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486337220 898805955 /nfs/dbraw/zinc/80/59/55/898805955.db2.gz ICCVPTSIUQXQJB-RKDXNWHRSA-N 1 2 284.253 0.271 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1ncccc1C#N ZINC001487403256 899169658 /nfs/dbraw/zinc/16/96/58/899169658.db2.gz YQSHFMSDAOJUNU-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO COCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001410352731 899362692 /nfs/dbraw/zinc/36/26/92/899362692.db2.gz TVXTXUZUTGZMHL-ZJUUUORDSA-N 1 2 295.343 0.312 20 30 CCEDLO COCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001410352715 899363809 /nfs/dbraw/zinc/36/38/09/899363809.db2.gz TVXTXUZUTGZMHL-UWVGGRQHSA-N 1 2 295.343 0.312 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001410579941 899479575 /nfs/dbraw/zinc/47/95/75/899479575.db2.gz DVAWEVBTQNUJCU-CGXVZKHXSA-N 1 2 280.155 0.532 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001494842479 899855176 /nfs/dbraw/zinc/85/51/76/899855176.db2.gz RAUYPRWQRNOXCA-JTQLQIEISA-N 1 2 285.775 0.537 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001494842479 899855186 /nfs/dbraw/zinc/85/51/86/899855186.db2.gz RAUYPRWQRNOXCA-JTQLQIEISA-N 1 2 285.775 0.537 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001275561136 901128498 /nfs/dbraw/zinc/12/84/98/901128498.db2.gz XDJXMZXXZSZTAX-NWDGAFQWSA-N 1 2 274.368 0.899 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001275561136 901128502 /nfs/dbraw/zinc/12/85/02/901128502.db2.gz XDJXMZXXZSZTAX-NWDGAFQWSA-N 1 2 274.368 0.899 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001398177243 914559047 /nfs/dbraw/zinc/55/90/47/914559047.db2.gz VWGVDQQOWOEJRI-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO Cc1[nH]c(CNC(=O)[C@H](C)n2cnc(C#N)n2)[nH+]c1C ZINC001412636691 901893399 /nfs/dbraw/zinc/89/33/99/901893399.db2.gz FWROOZZTBDBNDS-VIFPVBQESA-N 1 2 273.300 0.367 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC001328105238 903079339 /nfs/dbraw/zinc/07/93/39/903079339.db2.gz KELYGMCJOYIDJY-MFKMUULPSA-N 1 2 276.365 0.961 20 30 CCEDLO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001491019492 903293897 /nfs/dbraw/zinc/29/38/97/903293897.db2.gz ZZNWFCPXIZRNKO-AEJSXWLSSA-N 1 2 296.264 0.773 20 30 CCEDLO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001491019492 903293909 /nfs/dbraw/zinc/29/39/09/903293909.db2.gz ZZNWFCPXIZRNKO-AEJSXWLSSA-N 1 2 296.264 0.773 20 30 CCEDLO C#CCCN1CCC[C@@H](Nc2cc(N)nc[nH+]2)C1=O ZINC001160899947 903768626 /nfs/dbraw/zinc/76/86/26/903768626.db2.gz QKPKCTWAFWMVMD-SNVBAGLBSA-N 1 2 259.313 0.485 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)CC)C1 ZINC001282690177 904519278 /nfs/dbraw/zinc/51/92/78/904519278.db2.gz QMTBOYLBRYISEE-RYUDHWBXSA-N 1 2 281.400 0.771 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001282744570 904537410 /nfs/dbraw/zinc/53/74/10/904537410.db2.gz KMMIRZNKASJEIE-LLVKDONJSA-N 1 2 260.341 0.261 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001377333282 904791069 /nfs/dbraw/zinc/79/10/69/904791069.db2.gz DLJJZKWDCWHHRS-QWRGUYRKSA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001377333282 904791086 /nfs/dbraw/zinc/79/10/86/904791086.db2.gz DLJJZKWDCWHHRS-QWRGUYRKSA-N 1 2 287.791 0.689 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001378104305 905424840 /nfs/dbraw/zinc/42/48/40/905424840.db2.gz SVFAKLRQJDQUDI-QWHCGFSZSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001378104305 905424845 /nfs/dbraw/zinc/42/48/45/905424845.db2.gz SVFAKLRQJDQUDI-QWHCGFSZSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C(C)CCC(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284973088 905517896 /nfs/dbraw/zinc/51/78/96/905517896.db2.gz JCMJSATWSAOSHA-UHFFFAOYSA-N 1 2 290.367 0.883 20 30 CCEDLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCN1C(=O)C#CC1CC1 ZINC001285889302 905795370 /nfs/dbraw/zinc/79/53/70/905795370.db2.gz QFASCUDGJACVOC-LBPRGKRZSA-N 1 2 286.335 0.083 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001380551407 906819056 /nfs/dbraw/zinc/81/90/56/906819056.db2.gz KUCGMGKIZNFBQC-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001380551407 906819065 /nfs/dbraw/zinc/81/90/65/906819065.db2.gz KUCGMGKIZNFBQC-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=CCCC(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001492007699 907672235 /nfs/dbraw/zinc/67/22/35/907672235.db2.gz JAHUBPZUZYURMI-LBPRGKRZSA-N 1 2 290.367 0.978 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001492231166 907786685 /nfs/dbraw/zinc/78/66/85/907786685.db2.gz NIYNSMHJIZFFEP-UHFFFAOYSA-N 1 2 275.780 0.119 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001492231166 907786692 /nfs/dbraw/zinc/78/66/92/907786692.db2.gz NIYNSMHJIZFFEP-UHFFFAOYSA-N 1 2 275.780 0.119 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001492246549 907796396 /nfs/dbraw/zinc/79/63/96/907796396.db2.gz AMGOYBNRFBSCNF-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001492246549 907796402 /nfs/dbraw/zinc/79/64/02/907796402.db2.gz AMGOYBNRFBSCNF-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cc(OC)no1 ZINC001492251610 907804121 /nfs/dbraw/zinc/80/41/21/907804121.db2.gz RZMWFVQCTJLQFT-LLVKDONJSA-N 1 2 295.339 0.270 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1cc(OC)no1 ZINC001492251610 907804136 /nfs/dbraw/zinc/80/41/36/907804136.db2.gz RZMWFVQCTJLQFT-LLVKDONJSA-N 1 2 295.339 0.270 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCCC12CC2)CC(=O)NCC#N ZINC001492304173 907831812 /nfs/dbraw/zinc/83/18/12/907831812.db2.gz SKYBNYWIKSCAGR-LBPRGKRZSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCC12CC2)CC(=O)NCC#N ZINC001492304173 907831829 /nfs/dbraw/zinc/83/18/29/907831829.db2.gz SKYBNYWIKSCAGR-LBPRGKRZSA-N 1 2 292.383 0.254 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001492406613 907905368 /nfs/dbraw/zinc/90/53/68/907905368.db2.gz FHHGEBKKQKOFTF-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001492406613 907905381 /nfs/dbraw/zinc/90/53/81/907905381.db2.gz FHHGEBKKQKOFTF-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C[C@@H](Nc1cccnc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC001338084273 921364975 /nfs/dbraw/zinc/36/49/75/921364975.db2.gz MFIMEQYYPBHJAN-BXUZGUMPSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1cccnc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC001338084273 921364986 /nfs/dbraw/zinc/36/49/86/921364986.db2.gz MFIMEQYYPBHJAN-BXUZGUMPSA-N 1 2 259.357 0.999 20 30 CCEDLO N#Cc1ccnnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001337901386 908192972 /nfs/dbraw/zinc/19/29/72/908192972.db2.gz FIFFGLOBCLMMLR-LBPRGKRZSA-N 1 2 259.313 0.259 20 30 CCEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCn3cncc3C1)cc2=O ZINC001307814128 908350528 /nfs/dbraw/zinc/35/05/28/908350528.db2.gz TWMKXGVGKPPAND-UHFFFAOYSA-N 1 2 295.306 0.519 20 30 CCEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCn3cncc3C1)cc2=O ZINC001307814128 908350545 /nfs/dbraw/zinc/35/05/45/908350545.db2.gz TWMKXGVGKPPAND-UHFFFAOYSA-N 1 2 295.306 0.519 20 30 CCEDLO CC[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)O1 ZINC001316965241 908700617 /nfs/dbraw/zinc/70/06/17/908700617.db2.gz VNLHVPQJSOXNPR-ZIAGYGMSSA-N 1 2 294.399 0.201 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973583 908705573 /nfs/dbraw/zinc/70/55/73/908705573.db2.gz GYFXEJXGKXSWHF-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973583 908705567 /nfs/dbraw/zinc/70/55/67/908705567.db2.gz GYFXEJXGKXSWHF-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1ncn[nH]1 ZINC001316705771 908756347 /nfs/dbraw/zinc/75/63/47/908756347.db2.gz HQSBMJGCTDLPRN-NEPJUHHUSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]1CC ZINC001316732586 908759820 /nfs/dbraw/zinc/75/98/20/908759820.db2.gz GDAKMLZJSPNZEA-GRYCIOLGSA-N 1 2 288.413 0.575 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]1CC ZINC001316732586 908759830 /nfs/dbraw/zinc/75/98/30/908759830.db2.gz GDAKMLZJSPNZEA-GRYCIOLGSA-N 1 2 288.413 0.575 20 30 CCEDLO N#CCNCCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317368532 909162259 /nfs/dbraw/zinc/16/22/59/909162259.db2.gz PXSSJLFIUYRCQL-UHFFFAOYSA-N 1 2 297.362 0.924 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncnc1 ZINC001317445508 909216731 /nfs/dbraw/zinc/21/67/31/909216731.db2.gz XRXCYFPNNGNOIZ-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncnc1 ZINC001317445508 909216745 /nfs/dbraw/zinc/21/67/45/909216745.db2.gz XRXCYFPNNGNOIZ-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2ccncn2)C1 ZINC001318028969 909592037 /nfs/dbraw/zinc/59/20/37/909592037.db2.gz GTKDYMBAKSEKOD-UHFFFAOYSA-N 1 2 260.341 0.786 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC001388796857 909595074 /nfs/dbraw/zinc/59/50/74/909595074.db2.gz KLHQUZNWTHOESY-UMNHJUIQSA-N 1 2 276.344 0.054 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC001388796857 909595085 /nfs/dbraw/zinc/59/50/85/909595085.db2.gz KLHQUZNWTHOESY-UMNHJUIQSA-N 1 2 276.344 0.054 20 30 CCEDLO C[C@H](C(=O)N[C@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC001318098871 909620700 /nfs/dbraw/zinc/62/07/00/909620700.db2.gz SKAPPTPHJBPGQO-KOLCDFICSA-N 1 2 250.327 0.960 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001318129171 909636717 /nfs/dbraw/zinc/63/67/17/909636717.db2.gz JSPRENLHLPBWSD-UHFFFAOYSA-N 1 2 286.397 0.045 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001318360721 909722592 /nfs/dbraw/zinc/72/25/92/909722592.db2.gz RHHPDCWGDKWOQH-GFCCVEGCSA-N 1 2 292.335 0.742 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001318360721 909722605 /nfs/dbraw/zinc/72/26/05/909722605.db2.gz RHHPDCWGDKWOQH-GFCCVEGCSA-N 1 2 292.335 0.742 20 30 CCEDLO C[C@H](CNC(=O)c1cccc2[nH+]ccn21)NC(=O)[C@@H](C)C#N ZINC001389262490 909777732 /nfs/dbraw/zinc/77/77/32/909777732.db2.gz BDJBWJQJIGYUNS-WDEREUQCSA-N 1 2 299.334 0.728 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001319312056 910090438 /nfs/dbraw/zinc/09/04/38/910090438.db2.gz YKRRHQCTNVTGBR-CQSZACIVSA-N 1 2 262.353 0.793 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001319312056 910090453 /nfs/dbraw/zinc/09/04/53/910090453.db2.gz YKRRHQCTNVTGBR-CQSZACIVSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319320702 910098036 /nfs/dbraw/zinc/09/80/36/910098036.db2.gz YBSAZSOXSZACIW-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319320702 910098044 /nfs/dbraw/zinc/09/80/44/910098044.db2.gz YBSAZSOXSZACIW-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001319991267 910401657 /nfs/dbraw/zinc/40/16/57/910401657.db2.gz HQNQLJIXGRVGSY-OAHLLOKOSA-N 1 2 294.399 0.637 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001319991267 910401671 /nfs/dbraw/zinc/40/16/71/910401671.db2.gz HQNQLJIXGRVGSY-OAHLLOKOSA-N 1 2 294.399 0.637 20 30 CCEDLO C[C@@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001320058868 910438024 /nfs/dbraw/zinc/43/80/24/910438024.db2.gz MWARLKHYTRAWAW-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001320058868 910438036 /nfs/dbraw/zinc/43/80/36/910438036.db2.gz MWARLKHYTRAWAW-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+]CCS(=O)(=O)NC1CC1 ZINC001474746708 910480177 /nfs/dbraw/zinc/48/01/77/910480177.db2.gz BSSYSNWZSKGBMM-UHFFFAOYSA-N 1 2 297.355 0.869 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001320325189 910609763 /nfs/dbraw/zinc/60/97/63/910609763.db2.gz NQDMIXJEZISMFO-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001320325189 910609772 /nfs/dbraw/zinc/60/97/72/910609772.db2.gz NQDMIXJEZISMFO-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC)n1 ZINC001390760030 910656238 /nfs/dbraw/zinc/65/62/38/910656238.db2.gz PIPOZGAMGPBRLI-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC)n1 ZINC001390760030 910656246 /nfs/dbraw/zinc/65/62/46/910656246.db2.gz PIPOZGAMGPBRLI-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC001320761123 910848180 /nfs/dbraw/zinc/84/81/80/910848180.db2.gz BCEUNXBTBPEMOJ-WOPDTQHZSA-N 1 2 281.356 0.592 20 30 CCEDLO COCC#CC[NH2+]CC=CCNC(=O)c1[nH]nc(C)c1C ZINC001321002265 911007545 /nfs/dbraw/zinc/00/75/45/911007545.db2.gz YSOPDLCUYSPPIK-SNAWJCMRSA-N 1 2 290.367 0.552 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001321065265 911061392 /nfs/dbraw/zinc/06/13/92/911061392.db2.gz SANIVUNBLVCSAE-PCAWENJQSA-N 1 2 272.352 0.725 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001391504635 911181253 /nfs/dbraw/zinc/18/12/53/911181253.db2.gz PJNMDTKPIQHCNS-PWSUYJOCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392640803 912025117 /nfs/dbraw/zinc/02/51/17/912025117.db2.gz OHUAEEOSMAJRKC-VHSXEESVSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392640803 912025134 /nfs/dbraw/zinc/02/51/34/912025134.db2.gz OHUAEEOSMAJRKC-VHSXEESVSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001417943064 921723891 /nfs/dbraw/zinc/72/38/91/921723891.db2.gz AMYJQPVDPJWVGS-NWDGAFQWSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001417943064 921723905 /nfs/dbraw/zinc/72/39/05/921723905.db2.gz AMYJQPVDPJWVGS-NWDGAFQWSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001323197265 912172280 /nfs/dbraw/zinc/17/22/80/912172280.db2.gz CNKUXNWDDKACOQ-DGCLKSJQSA-N 1 2 258.325 0.932 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001323197265 912172289 /nfs/dbraw/zinc/17/22/89/912172289.db2.gz CNKUXNWDDKACOQ-DGCLKSJQSA-N 1 2 258.325 0.932 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001323215760 912187533 /nfs/dbraw/zinc/18/75/33/912187533.db2.gz ZUUHSGKBJDYYTD-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001323215760 912187545 /nfs/dbraw/zinc/18/75/45/912187545.db2.gz ZUUHSGKBJDYYTD-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO C=CCN(c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001339591843 921772181 /nfs/dbraw/zinc/77/21/81/921772181.db2.gz PTLNGUCEISELIM-WFASDCNBSA-N 1 2 291.399 0.882 20 30 CCEDLO C=CCN(c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001339591843 921772190 /nfs/dbraw/zinc/77/21/90/921772190.db2.gz PTLNGUCEISELIM-WFASDCNBSA-N 1 2 291.399 0.882 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CN1CCCC1=O)C1CC1 ZINC001399989228 915492405 /nfs/dbraw/zinc/49/24/05/915492405.db2.gz MUNUPQHEINIDIC-UHFFFAOYSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CN1CCCC1=O)C1CC1 ZINC001399989228 915492410 /nfs/dbraw/zinc/49/24/10/915492410.db2.gz MUNUPQHEINIDIC-UHFFFAOYSA-N 1 2 299.802 0.942 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001400479750 915769504 /nfs/dbraw/zinc/76/95/04/915769504.db2.gz ITIRNIRVDWHJKP-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2=CCOCC2)C1 ZINC001329652383 916097781 /nfs/dbraw/zinc/09/77/81/916097781.db2.gz TVJLZKWOBTVINX-UHFFFAOYSA-N 1 2 280.368 0.462 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cc[nH]c2)C1 ZINC001329669122 916112578 /nfs/dbraw/zinc/11/25/78/916112578.db2.gz ZCVQZWGSQGNPBE-UHFFFAOYSA-N 1 2 261.325 0.205 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001401736456 916533092 /nfs/dbraw/zinc/53/30/92/916533092.db2.gz IQLPNGZZXPPYEB-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001401736456 916533103 /nfs/dbraw/zinc/53/31/03/916533103.db2.gz IQLPNGZZXPPYEB-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCOCC1 ZINC001331282048 917240880 /nfs/dbraw/zinc/24/08/80/917240880.db2.gz PHHVCWQPECMYCF-WCQYABFASA-N 1 2 261.325 0.989 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001331877871 917679809 /nfs/dbraw/zinc/67/98/09/917679809.db2.gz JCEIWLBOSXNIGP-VXGBXAGGSA-N 1 2 290.371 0.093 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC001332524952 918253318 /nfs/dbraw/zinc/25/33/18/918253318.db2.gz HUDVCJFIZXQENI-CYBMUJFWSA-N 1 2 288.355 0.778 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC001332524952 918253335 /nfs/dbraw/zinc/25/33/35/918253335.db2.gz HUDVCJFIZXQENI-CYBMUJFWSA-N 1 2 288.355 0.778 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001404877350 918502121 /nfs/dbraw/zinc/50/21/21/918502121.db2.gz RANPQTDKCPENDZ-JTQLQIEISA-N 1 2 276.315 0.928 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)nn1C ZINC001407205524 919664947 /nfs/dbraw/zinc/66/49/47/919664947.db2.gz OMFUMVQANHXLJP-ABAIWWIYSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)nn1C ZINC001407205524 919664951 /nfs/dbraw/zinc/66/49/51/919664951.db2.gz OMFUMVQANHXLJP-ABAIWWIYSA-N 1 2 289.383 0.969 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001334684266 919706764 /nfs/dbraw/zinc/70/67/64/919706764.db2.gz IXMCNZKQGPESLL-UHFFFAOYSA-N 1 2 264.329 0.113 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC#N ZINC001340035848 921926457 /nfs/dbraw/zinc/92/64/57/921926457.db2.gz UZHFYBURCQHCTH-ZDUSSCGKSA-N 1 2 298.387 0.015 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCc1cnn[nH]1 ZINC001418282364 921991176 /nfs/dbraw/zinc/99/11/76/921991176.db2.gz PFHHXMONAUJARB-VIFPVBQESA-N 1 2 271.752 0.584 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001418662545 922340669 /nfs/dbraw/zinc/34/06/69/922340669.db2.gz GZPAOXQITHLSFQ-NSHDSACASA-N 1 2 297.790 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001418662545 922340687 /nfs/dbraw/zinc/34/06/87/922340687.db2.gz GZPAOXQITHLSFQ-NSHDSACASA-N 1 2 297.790 0.846 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001419010794 922570873 /nfs/dbraw/zinc/57/08/73/922570873.db2.gz OSOIFBLDVIYOBD-MNOVXSKESA-N 1 2 292.383 0.109 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001419089359 922632485 /nfs/dbraw/zinc/63/24/85/922632485.db2.gz LXHPKEAZGRABEU-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001419089359 922632492 /nfs/dbraw/zinc/63/24/92/922632492.db2.gz LXHPKEAZGRABEU-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCN(c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001341721243 922644025 /nfs/dbraw/zinc/64/40/25/922644025.db2.gz YNOFMRSOAKZESC-RYUDHWBXSA-N 1 2 277.372 0.707 20 30 CCEDLO C=CCN(c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001341721243 922644033 /nfs/dbraw/zinc/64/40/33/922644033.db2.gz YNOFMRSOAKZESC-RYUDHWBXSA-N 1 2 277.372 0.707 20 30 CCEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001341780271 922668871 /nfs/dbraw/zinc/66/88/71/922668871.db2.gz NZCDWTAKNWSALJ-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)O)n2CC(=C)C)CC1 ZINC001341997093 922755827 /nfs/dbraw/zinc/75/58/27/922755827.db2.gz XBSUVSOUCJCVAL-CYBMUJFWSA-N 1 2 289.383 0.663 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)o1 ZINC001419658554 922976283 /nfs/dbraw/zinc/97/62/83/922976283.db2.gz XTMQEWUMTRFVRY-UWVGGRQHSA-N 1 2 279.344 0.728 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001342563908 923004353 /nfs/dbraw/zinc/00/43/53/923004353.db2.gz YWMONEHYAQTTSG-FZMZJTMJSA-N 1 2 277.372 0.279 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001342563908 923004371 /nfs/dbraw/zinc/00/43/71/923004371.db2.gz YWMONEHYAQTTSG-FZMZJTMJSA-N 1 2 277.372 0.279 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001419727710 923048707 /nfs/dbraw/zinc/04/87/07/923048707.db2.gz LCUPFFMIDBSKOP-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001342723313 923069431 /nfs/dbraw/zinc/06/94/31/923069431.db2.gz XARRSHXTYKIZPU-VXGBXAGGSA-N 1 2 263.341 0.870 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001342723313 923069443 /nfs/dbraw/zinc/06/94/43/923069443.db2.gz XARRSHXTYKIZPU-VXGBXAGGSA-N 1 2 263.341 0.870 20 30 CCEDLO Cn1cncc1C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001420207463 923410422 /nfs/dbraw/zinc/41/04/22/923410422.db2.gz BGUQGLZJFYBYLS-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO Cn1cncc1C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001420207463 923410429 /nfs/dbraw/zinc/41/04/29/923410429.db2.gz BGUQGLZJFYBYLS-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CNC(=O)CC)C1CC1 ZINC001420636140 923840584 /nfs/dbraw/zinc/84/05/84/923840584.db2.gz UHDVQGYDPXDIKD-UHFFFAOYSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CNC(=O)CC)C1CC1 ZINC001420636140 923840599 /nfs/dbraw/zinc/84/05/99/923840599.db2.gz UHDVQGYDPXDIKD-UHFFFAOYSA-N 1 2 287.791 0.846 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC001347746032 924527560 /nfs/dbraw/zinc/52/75/60/924527560.db2.gz VTAIJHVRXVCIAJ-CYBMUJFWSA-N 1 2 262.313 0.399 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC001348094025 924594104 /nfs/dbraw/zinc/59/41/04/924594104.db2.gz GVHHYHRXGGLEPM-HNNXBMFYSA-N 1 2 292.383 0.303 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001351205892 925383280 /nfs/dbraw/zinc/38/32/80/925383280.db2.gz PLIZFQPDJSUCQN-SDDRHHMPSA-N 1 2 270.377 0.426 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001351205892 925383289 /nfs/dbraw/zinc/38/32/89/925383289.db2.gz PLIZFQPDJSUCQN-SDDRHHMPSA-N 1 2 270.377 0.426 20 30 CCEDLO Cc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1C#N ZINC001351289043 925398020 /nfs/dbraw/zinc/39/80/20/925398020.db2.gz UAPNACNKZSZNMW-LLVKDONJSA-N 1 2 267.292 0.813 20 30 CCEDLO Cc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1C#N ZINC001351289045 925398217 /nfs/dbraw/zinc/39/82/17/925398217.db2.gz UAPNACNKZSZNMW-NSHDSACASA-N 1 2 267.292 0.813 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001351787987 925472151 /nfs/dbraw/zinc/47/21/51/925472151.db2.gz RWQGLWLBIMPWCN-UONOGXRCSA-N 1 2 298.431 0.465 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001351787987 925472156 /nfs/dbraw/zinc/47/21/56/925472156.db2.gz RWQGLWLBIMPWCN-UONOGXRCSA-N 1 2 298.431 0.465 20 30 CCEDLO C=CCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001352668788 925616174 /nfs/dbraw/zinc/61/61/74/925616174.db2.gz DSFUBVBONPZEJL-JTQLQIEISA-N 1 2 250.302 0.149 20 30 CCEDLO C=CCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001352668788 925616179 /nfs/dbraw/zinc/61/61/79/925616179.db2.gz DSFUBVBONPZEJL-JTQLQIEISA-N 1 2 250.302 0.149 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001480435542 925704769 /nfs/dbraw/zinc/70/47/69/925704769.db2.gz HGWQHCUBGVZYMR-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001356254768 926361111 /nfs/dbraw/zinc/36/11/11/926361111.db2.gz WNJKQJLSIQIFEX-NWDGAFQWSA-N 1 2 281.356 0.331 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001356254768 926361121 /nfs/dbraw/zinc/36/11/21/926361121.db2.gz WNJKQJLSIQIFEX-NWDGAFQWSA-N 1 2 281.356 0.331 20 30 CCEDLO C=CCCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001358697869 926792055 /nfs/dbraw/zinc/79/20/55/926792055.db2.gz VKNBRSOSCNTSFF-UHFFFAOYSA-N 1 2 276.340 0.683 20 30 CCEDLO N#Cc1ccnc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001414000106 926794284 /nfs/dbraw/zinc/79/42/84/926794284.db2.gz MUCIATMSZYONGB-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#Cc1ccnc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001414000106 926794291 /nfs/dbraw/zinc/79/42/91/926794291.db2.gz MUCIATMSZYONGB-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001358867609 926854107 /nfs/dbraw/zinc/85/41/07/926854107.db2.gz GLJOIBDGHTVIHW-OLZOCXBDSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001422867103 927560998 /nfs/dbraw/zinc/56/09/98/927560998.db2.gz WZUJOQIRPMFNHF-SCZZXKLOSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001422867103 927561011 /nfs/dbraw/zinc/56/10/11/927561011.db2.gz WZUJOQIRPMFNHF-SCZZXKLOSA-N 1 2 275.780 0.687 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ncc1C#N ZINC001362543500 928156817 /nfs/dbraw/zinc/15/68/17/928156817.db2.gz QJYRFGISLIFUFK-GFCCVEGCSA-N 1 2 288.351 0.400 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ncc1C#N ZINC001362543500 928156821 /nfs/dbraw/zinc/15/68/21/928156821.db2.gz QJYRFGISLIFUFK-GFCCVEGCSA-N 1 2 288.351 0.400 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424328612 928161702 /nfs/dbraw/zinc/16/17/02/928161702.db2.gz GZSFKPMBITWPOW-NXEZZACHSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426771802 928914241 /nfs/dbraw/zinc/91/42/41/928914241.db2.gz AENUZWLJEALCOQ-NWDGAFQWSA-N 1 2 289.339 0.102 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(C)C(=O)[C@@H](C)C#N ZINC001429286157 929426221 /nfs/dbraw/zinc/42/62/21/929426221.db2.gz LRKIFRUFIMOIMU-MNOVXSKESA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(C)C(=O)[C@@H](C)C#N ZINC001429286157 929426231 /nfs/dbraw/zinc/42/62/31/929426231.db2.gz LRKIFRUFIMOIMU-MNOVXSKESA-N 1 2 291.355 0.323 20 30 CCEDLO C[N@H+](CCn1cnnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001363819075 929609668 /nfs/dbraw/zinc/60/96/68/929609668.db2.gz XDZSCIGHHPDMFL-CYBMUJFWSA-N 1 2 284.323 0.308 20 30 CCEDLO C[N@@H+](CCn1cnnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001363819075 929609676 /nfs/dbraw/zinc/60/96/76/929609676.db2.gz XDZSCIGHHPDMFL-CYBMUJFWSA-N 1 2 284.323 0.308 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(C)=O ZINC001372495752 929854575 /nfs/dbraw/zinc/85/45/75/929854575.db2.gz XBBLMGVDKXHGMW-JQWIXIFHSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(C)=O ZINC001372495752 929854578 /nfs/dbraw/zinc/85/45/78/929854578.db2.gz XBBLMGVDKXHGMW-JQWIXIFHSA-N 1 2 287.791 0.844 20 30 CCEDLO CCn1ccc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001444956186 929981943 /nfs/dbraw/zinc/98/19/43/929981943.db2.gz NGUIYNCBHIOVLY-GFCCVEGCSA-N 1 2 277.372 0.953 20 30 CCEDLO CCn1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001444956186 929981946 /nfs/dbraw/zinc/98/19/46/929981946.db2.gz NGUIYNCBHIOVLY-GFCCVEGCSA-N 1 2 277.372 0.953 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001446157706 930348453 /nfs/dbraw/zinc/34/84/53/930348453.db2.gz GYJKCUSNAZVXQR-RKDXNWHRSA-N 1 2 277.328 0.837 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1coc(C#N)c1 ZINC001447274770 930597640 /nfs/dbraw/zinc/59/76/40/930597640.db2.gz AHDZKVBDYNMBQU-NSHDSACASA-N 1 2 288.263 0.388 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1coc(C#N)c1 ZINC001447274770 930597648 /nfs/dbraw/zinc/59/76/48/930597648.db2.gz AHDZKVBDYNMBQU-NSHDSACASA-N 1 2 288.263 0.388 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](COC)OC)C1 ZINC001448324030 930872530 /nfs/dbraw/zinc/87/25/30/930872530.db2.gz ZNQCKRPLOOIGIR-ZYHUDNBSSA-N 1 2 290.791 0.837 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001376528587 931174754 /nfs/dbraw/zinc/17/47/54/931174754.db2.gz IPWPDUSZNFAWOZ-CMPLNLGQSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001376528587 931174760 /nfs/dbraw/zinc/17/47/60/931174760.db2.gz IPWPDUSZNFAWOZ-CMPLNLGQSA-N 1 2 291.355 0.866 20 30 CCEDLO N#Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)o1 ZINC001594620796 956278626 /nfs/dbraw/zinc/27/86/26/956278626.db2.gz RSEDNMNTJYSREB-UHFFFAOYSA-N 1 2 263.297 0.790 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523093507 260137550 /nfs/dbraw/zinc/13/75/50/260137550.db2.gz ZUCCASBDNHHRPY-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523093507 260137551 /nfs/dbraw/zinc/13/75/51/260137551.db2.gz ZUCCASBDNHHRPY-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1C#N ZINC000599663980 361777806 /nfs/dbraw/zinc/77/78/06/361777806.db2.gz JRQRVTVSCKNYEJ-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1C#N ZINC000599663980 361777807 /nfs/dbraw/zinc/77/78/07/361777807.db2.gz JRQRVTVSCKNYEJ-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000599665527 361779552 /nfs/dbraw/zinc/77/95/52/361779552.db2.gz SMBBUWIVEGFTLL-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000599665527 361779555 /nfs/dbraw/zinc/77/95/55/361779555.db2.gz SMBBUWIVEGFTLL-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000600422591 361957336 /nfs/dbraw/zinc/95/73/36/361957336.db2.gz VVOBOYJOISDXAH-GFCCVEGCSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000600422591 361957343 /nfs/dbraw/zinc/95/73/43/361957343.db2.gz VVOBOYJOISDXAH-GFCCVEGCSA-N 1 2 291.326 0.687 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000600715829 362044508 /nfs/dbraw/zinc/04/45/08/362044508.db2.gz CXYGXFLKOLRDOY-CYBMUJFWSA-N 1 2 272.308 0.811 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000617720254 365724457 /nfs/dbraw/zinc/72/44/57/365724457.db2.gz AJKMXULAXHPFNI-RYUDHWBXSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000617720254 365724459 /nfs/dbraw/zinc/72/44/59/365724459.db2.gz AJKMXULAXHPFNI-RYUDHWBXSA-N 1 2 293.371 0.303 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CSC1 ZINC000601024231 362132558 /nfs/dbraw/zinc/13/25/58/362132558.db2.gz ULWKMQUNMLUJHP-UHFFFAOYSA-N 1 2 297.424 0.814 20 30 CCEDLO N#Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc(C2CC2)n1 ZINC000601132291 362154289 /nfs/dbraw/zinc/15/42/89/362154289.db2.gz DLPZRSHBCRTEOZ-ZDUSSCGKSA-N 1 2 284.367 0.059 20 30 CCEDLO CN(Cc1[nH+]ccn1C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153320021 290676447 /nfs/dbraw/zinc/67/64/47/290676447.db2.gz ZHRUPQCVBROCDY-AWEZNQCLSA-N 1 2 283.335 0.950 20 30 CCEDLO Cc1nc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC000332415314 136384066 /nfs/dbraw/zinc/38/40/66/136384066.db2.gz LZUGTLNMMIVWRL-UHFFFAOYSA-N 1 2 296.334 0.947 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC#N)C1 ZINC000332187532 529782614 /nfs/dbraw/zinc/78/26/14/529782614.db2.gz YIGPKSPLURQLQL-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC#N)C1 ZINC000332187532 529782615 /nfs/dbraw/zinc/78/26/15/529782615.db2.gz YIGPKSPLURQLQL-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601525772 362300491 /nfs/dbraw/zinc/30/04/91/362300491.db2.gz DQYJUSHMWIQCMO-UHFFFAOYSA-N 1 2 285.373 0.298 20 30 CCEDLO Cc1onc(CC(=O)N(C)C[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000601733579 362371709 /nfs/dbraw/zinc/37/17/09/362371709.db2.gz GNUAEORCOJMEHE-LLVKDONJSA-N 1 2 292.339 0.186 20 30 CCEDLO Cc1onc(CC(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000601733579 362371712 /nfs/dbraw/zinc/37/17/12/362371712.db2.gz GNUAEORCOJMEHE-LLVKDONJSA-N 1 2 292.339 0.186 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OC ZINC000601781612 362389907 /nfs/dbraw/zinc/38/99/07/362389907.db2.gz JXOWHVYYKSXBEI-LLVKDONJSA-N 1 2 265.313 0.885 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OC ZINC000601781612 362389914 /nfs/dbraw/zinc/38/99/14/362389914.db2.gz JXOWHVYYKSXBEI-LLVKDONJSA-N 1 2 265.313 0.885 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000295082564 232001955 /nfs/dbraw/zinc/00/19/55/232001955.db2.gz BGCYDCUJEQQMMT-ZDUSSCGKSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000295082564 232001960 /nfs/dbraw/zinc/00/19/60/232001960.db2.gz BGCYDCUJEQQMMT-ZDUSSCGKSA-N 1 2 250.273 0.890 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196818 362552447 /nfs/dbraw/zinc/55/24/47/362552447.db2.gz DCXBOBLEHZAGSO-ZDUSSCGKSA-N 1 2 272.352 0.928 20 30 CCEDLO CCO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000602331451 362589394 /nfs/dbraw/zinc/58/93/94/362589394.db2.gz DIYOIOUZVNQGDU-DGCLKSJQSA-N 1 2 253.346 0.762 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1ccc(C(F)F)n1 ZINC000602331141 362589599 /nfs/dbraw/zinc/58/95/99/362589599.db2.gz AGMHMIPXKDPAIG-GFCCVEGCSA-N 1 2 285.298 0.781 20 30 CCEDLO N#Cc1ccccc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361744837 232217756 /nfs/dbraw/zinc/21/77/56/232217756.db2.gz OVNHNUQEBVWYNO-UHFFFAOYSA-N 1 2 279.365 0.811 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602481699 362638502 /nfs/dbraw/zinc/63/85/02/362638502.db2.gz AETVKWXNMDDYBH-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602481699 362638504 /nfs/dbraw/zinc/63/85/04/362638504.db2.gz AETVKWXNMDDYBH-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960003164 649848752 /nfs/dbraw/zinc/84/87/52/649848752.db2.gz OEHVNHGNZFTCLV-VIKVFOODSA-N 1 2 299.378 0.332 20 30 CCEDLO COCCN(CC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602687886 362749849 /nfs/dbraw/zinc/74/98/49/362749849.db2.gz OGRNXIDYMVQVEZ-UHFFFAOYSA-N 1 2 263.297 0.825 20 30 CCEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)C[C@H](CO)O1 ZINC000602696674 362757055 /nfs/dbraw/zinc/75/70/55/362757055.db2.gz FHCMOMQFGFKOHL-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)C[C@H](CO)O1 ZINC000602696674 362757057 /nfs/dbraw/zinc/75/70/57/362757057.db2.gz FHCMOMQFGFKOHL-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO COCCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854346 362840235 /nfs/dbraw/zinc/84/02/35/362840235.db2.gz BKFGJFFKUOXPOE-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO COCCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854346 362840238 /nfs/dbraw/zinc/84/02/38/362840238.db2.gz BKFGJFFKUOXPOE-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857081 362843956 /nfs/dbraw/zinc/84/39/56/362843956.db2.gz OOWFVDHQXQXLKU-GRYCIOLGSA-N 1 2 295.387 0.139 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857081 362843960 /nfs/dbraw/zinc/84/39/60/362843960.db2.gz OOWFVDHQXQXLKU-GRYCIOLGSA-N 1 2 295.387 0.139 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@@H](C)N1CC#N ZINC000602857302 362843982 /nfs/dbraw/zinc/84/39/82/362843982.db2.gz QNGZGAZLSXEUQZ-MGPQQGTHSA-N 1 2 294.399 0.200 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339363526 215124801 /nfs/dbraw/zinc/12/48/01/215124801.db2.gz ZPBMHZGNNLQXSV-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339363526 215124803 /nfs/dbraw/zinc/12/48/03/215124803.db2.gz ZPBMHZGNNLQXSV-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000030195634 348117715 /nfs/dbraw/zinc/11/77/15/348117715.db2.gz IIVAYYBAPFEEMJ-UHFFFAOYSA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000030195634 348117717 /nfs/dbraw/zinc/11/77/17/348117717.db2.gz IIVAYYBAPFEEMJ-UHFFFAOYSA-N 1 2 255.318 0.109 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000042267080 348272323 /nfs/dbraw/zinc/27/23/23/348272323.db2.gz DFKASFODGONIGA-CYBMUJFWSA-N 1 2 259.309 0.953 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000042267080 348272325 /nfs/dbraw/zinc/27/23/25/348272325.db2.gz DFKASFODGONIGA-CYBMUJFWSA-N 1 2 259.309 0.953 20 30 CCEDLO Cc1ccnc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC000273368636 192127770 /nfs/dbraw/zinc/12/77/70/192127770.db2.gz RLTIDRIOLHMVES-CYBMUJFWSA-N 1 2 290.367 0.391 20 30 CCEDLO CN(C(=O)C[N@H+](C)CC(N)=O)C1(C#N)CCCCC1 ZINC000051827173 348497355 /nfs/dbraw/zinc/49/73/55/348497355.db2.gz NPMQMGGPFJYGNW-UHFFFAOYSA-N 1 2 266.345 0.088 20 30 CCEDLO CN(C(=O)C[N@@H+](C)CC(N)=O)C1(C#N)CCCCC1 ZINC000051827173 348497358 /nfs/dbraw/zinc/49/73/58/348497358.db2.gz NPMQMGGPFJYGNW-UHFFFAOYSA-N 1 2 266.345 0.088 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386797 348577013 /nfs/dbraw/zinc/57/70/13/348577013.db2.gz PTGPSOACHQHXGY-UHFFFAOYSA-N 1 2 288.351 0.940 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386797 348577016 /nfs/dbraw/zinc/57/70/16/348577016.db2.gz PTGPSOACHQHXGY-UHFFFAOYSA-N 1 2 288.351 0.940 20 30 CCEDLO N#Cc1nc(N2CC[NH+](CC(N)=O)CC2)ccc1Cl ZINC000067348374 348772031 /nfs/dbraw/zinc/77/20/31/348772031.db2.gz VXXJWWPMJNBNKV-UHFFFAOYSA-N 1 2 279.731 0.214 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000066469309 348744042 /nfs/dbraw/zinc/74/40/42/348744042.db2.gz GDHNMXGLFYDFKF-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)CC1 ZINC000066469309 348744047 /nfs/dbraw/zinc/74/40/47/348744047.db2.gz GDHNMXGLFYDFKF-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000603000112 362930389 /nfs/dbraw/zinc/93/03/89/362930389.db2.gz VFOZTMIFLNEQHM-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000603000112 362930394 /nfs/dbraw/zinc/93/03/94/362930394.db2.gz VFOZTMIFLNEQHM-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCC)CC1 ZINC000070760105 348896713 /nfs/dbraw/zinc/89/67/13/348896713.db2.gz VSCLDIDAIBDCMT-LLVKDONJSA-N 1 2 268.361 0.024 20 30 CCEDLO C=CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000618247859 365958246 /nfs/dbraw/zinc/95/82/46/365958246.db2.gz MKRPPYURGBLHQV-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000618247859 365958252 /nfs/dbraw/zinc/95/82/52/365958252.db2.gz MKRPPYURGBLHQV-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000081040234 349243446 /nfs/dbraw/zinc/24/34/46/349243446.db2.gz XTMGKGDZOLPCOH-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000081040234 349243450 /nfs/dbraw/zinc/24/34/50/349243450.db2.gz XTMGKGDZOLPCOH-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCCC#N)CC1 ZINC000088594836 349369324 /nfs/dbraw/zinc/36/93/24/349369324.db2.gz CBKIBPBIZYQEOA-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCCC#N)CC1 ZINC000088594836 349369325 /nfs/dbraw/zinc/36/93/25/349369325.db2.gz CBKIBPBIZYQEOA-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C(N)=O)O1 ZINC000092008062 180306455 /nfs/dbraw/zinc/30/64/55/180306455.db2.gz TYBMHZPXYZUCMK-LDYMZIIASA-N 1 2 265.338 0.694 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C(N)=O)O1 ZINC000092008062 180306456 /nfs/dbraw/zinc/30/64/56/180306456.db2.gz TYBMHZPXYZUCMK-LDYMZIIASA-N 1 2 265.338 0.694 20 30 CCEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NCC#N ZINC000135646004 350405468 /nfs/dbraw/zinc/40/54/68/350405468.db2.gz SKBSOMIMKFWSMS-NSHDSACASA-N 1 2 261.329 0.369 20 30 CCEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCC#N ZINC000135646004 350405470 /nfs/dbraw/zinc/40/54/70/350405470.db2.gz SKBSOMIMKFWSMS-NSHDSACASA-N 1 2 261.329 0.369 20 30 CCEDLO C[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148115385 350472374 /nfs/dbraw/zinc/47/23/74/350472374.db2.gz NPPDMWUQOACDBK-UHFFFAOYSA-N 1 2 268.338 0.256 20 30 CCEDLO C[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148115385 350472378 /nfs/dbraw/zinc/47/23/78/350472378.db2.gz NPPDMWUQOACDBK-UHFFFAOYSA-N 1 2 268.338 0.256 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)OCC)nn1 ZINC000603181589 362987754 /nfs/dbraw/zinc/98/77/54/362987754.db2.gz OOALFRURECDSCC-GFCCVEGCSA-N 1 2 264.329 0.905 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)OC)nn1 ZINC000603194600 362993299 /nfs/dbraw/zinc/99/32/99/362993299.db2.gz UFANYPABCFVBGX-LLVKDONJSA-N 1 2 250.302 0.515 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000175803304 351144302 /nfs/dbraw/zinc/14/43/02/351144302.db2.gz KRXHVFUCKRIHTQ-RYUDHWBXSA-N 1 2 294.424 0.233 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603283679 363044541 /nfs/dbraw/zinc/04/45/41/363044541.db2.gz MAJHDJAJAMPVII-LLVKDONJSA-N 1 2 270.358 0.694 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1CCO ZINC000188833023 351632534 /nfs/dbraw/zinc/63/25/34/351632534.db2.gz KZCMAPBCHJTKFW-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1CCO ZINC000188833023 351632537 /nfs/dbraw/zinc/63/25/37/351632537.db2.gz KZCMAPBCHJTKFW-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C=CCOCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000618525490 366038195 /nfs/dbraw/zinc/03/81/95/366038195.db2.gz CHTLMUSYKFWVQP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000618525490 366038201 /nfs/dbraw/zinc/03/82/01/366038201.db2.gz CHTLMUSYKFWVQP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C(N)=O)O1 ZINC000192071641 351783132 /nfs/dbraw/zinc/78/31/32/351783132.db2.gz ASGVBBBZFSYJJT-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C(N)=O)O1 ZINC000192071641 351783135 /nfs/dbraw/zinc/78/31/35/351783135.db2.gz ASGVBBBZFSYJJT-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000228260764 352072067 /nfs/dbraw/zinc/07/20/67/352072067.db2.gz ZTUUHXHIXHBMKU-AWEZNQCLSA-N 1 2 286.335 0.707 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000228260764 352072070 /nfs/dbraw/zinc/07/20/70/352072070.db2.gz ZTUUHXHIXHBMKU-AWEZNQCLSA-N 1 2 286.335 0.707 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000228764156 352083529 /nfs/dbraw/zinc/08/35/29/352083529.db2.gz HFGIUBDEMCNEIU-LLVKDONJSA-N 1 2 286.278 0.515 20 30 CCEDLO C#CCSCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265742516 352660906 /nfs/dbraw/zinc/66/09/06/352660906.db2.gz FMHNTTVOICLQIC-LLVKDONJSA-N 1 2 266.370 0.937 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000266789995 352720172 /nfs/dbraw/zinc/72/01/72/352720172.db2.gz CFFXAJCHEIKYMQ-UHFFFAOYSA-N 1 2 293.396 0.373 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSc2nnc(C)[nH]2)CC1 ZINC000266789995 352720174 /nfs/dbraw/zinc/72/01/74/352720174.db2.gz CFFXAJCHEIKYMQ-UHFFFAOYSA-N 1 2 293.396 0.373 20 30 CCEDLO N#Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000269518236 352836693 /nfs/dbraw/zinc/83/66/93/352836693.db2.gz VAKHLWNKXVZDFL-NSHDSACASA-N 1 2 288.311 0.273 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000277053970 353220404 /nfs/dbraw/zinc/22/04/04/353220404.db2.gz VGKBMPMXOTYBFM-UHFFFAOYSA-N 1 2 291.376 0.839 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000277053970 353220406 /nfs/dbraw/zinc/22/04/06/353220406.db2.gz VGKBMPMXOTYBFM-UHFFFAOYSA-N 1 2 291.376 0.839 20 30 CCEDLO C=CCCc1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000277881209 353270840 /nfs/dbraw/zinc/27/08/40/353270840.db2.gz NQBPCLRROFBEIO-UHFFFAOYSA-N 1 2 294.355 0.179 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277723319 353261521 /nfs/dbraw/zinc/26/15/21/353261521.db2.gz HWWKQJBZDTWOLK-UHFFFAOYSA-N 1 2 261.329 0.791 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277723319 353261525 /nfs/dbraw/zinc/26/15/25/353261525.db2.gz HWWKQJBZDTWOLK-UHFFFAOYSA-N 1 2 261.329 0.791 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000286156442 353565809 /nfs/dbraw/zinc/56/58/09/353565809.db2.gz IZTHDHZENRZMAG-LBPRGKRZSA-N 1 2 258.329 0.068 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294372363 353888754 /nfs/dbraw/zinc/88/87/54/353888754.db2.gz NJLPWOKNMYMQDL-ZDUSSCGKSA-N 1 2 273.336 0.769 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000299662786 354037134 /nfs/dbraw/zinc/03/71/34/354037134.db2.gz LSDWYMSKDIDKAE-UHFFFAOYSA-N 1 2 285.347 0.793 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000304128458 354106740 /nfs/dbraw/zinc/10/67/40/354106740.db2.gz AKQKSNJSOVQNOM-STQMWFEESA-N 1 2 259.309 0.541 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](O)C2)cc1 ZINC000304128458 354106745 /nfs/dbraw/zinc/10/67/45/354106745.db2.gz AKQKSNJSOVQNOM-STQMWFEESA-N 1 2 259.309 0.541 20 30 CCEDLO C[C@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000309375234 354186808 /nfs/dbraw/zinc/18/68/08/354186808.db2.gz RDKVNWFKNKNNLC-SSDOTTSWSA-N 1 2 259.356 0.645 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cncc(C#N)c1 ZINC000336839135 355210207 /nfs/dbraw/zinc/21/02/07/355210207.db2.gz OBDUQCFPZDIALC-UHFFFAOYSA-N 1 2 291.336 0.507 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336929995 355228619 /nfs/dbraw/zinc/22/86/19/355228619.db2.gz OURLIDXWAGMWCK-SECBINFHSA-N 1 2 256.269 0.475 20 30 CCEDLO C[C@@H](C(=O)NCCCNc1cccc[nH+]1)n1cnc(C#N)n1 ZINC000337020606 355249044 /nfs/dbraw/zinc/24/90/44/355249044.db2.gz QPOIELAVAPJYBH-NSHDSACASA-N 1 2 299.338 0.724 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@](=O)C[C@H](C)C2)C1=O ZINC000337256583 355291384 /nfs/dbraw/zinc/29/13/84/355291384.db2.gz UDAAVIRRMSNBRF-SOZUMNATSA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@](=O)C[C@H](C)C2)C1=O ZINC000337256583 355291390 /nfs/dbraw/zinc/29/13/90/355291390.db2.gz UDAAVIRRMSNBRF-SOZUMNATSA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338625650 355382829 /nfs/dbraw/zinc/38/28/29/355382829.db2.gz OZHJFNBORREUEW-CYBMUJFWSA-N 1 2 256.321 0.593 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338625650 355382831 /nfs/dbraw/zinc/38/28/31/355382831.db2.gz OZHJFNBORREUEW-CYBMUJFWSA-N 1 2 256.321 0.593 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425220637 235274860 /nfs/dbraw/zinc/27/48/60/235274860.db2.gz CQRRZFJGLFBTQC-SNVBAGLBSA-N 1 2 267.354 0.919 20 30 CCEDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)cc(C#N)n1 ZINC000342774507 355743454 /nfs/dbraw/zinc/74/34/54/355743454.db2.gz DHYHSFWGXNKWMU-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)cc(C#N)n1 ZINC000342774507 355743458 /nfs/dbraw/zinc/74/34/58/355743458.db2.gz DHYHSFWGXNKWMU-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO CC#CCN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000344222483 355789850 /nfs/dbraw/zinc/78/98/50/355789850.db2.gz FJWPZJFTXIJZJO-UHFFFAOYSA-N 1 2 261.281 0.510 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)c1cnn(C)c1C#N ZINC000348270708 355900991 /nfs/dbraw/zinc/90/09/91/355900991.db2.gz HGLCEBNCFBVHHT-UHFFFAOYSA-N 1 2 271.280 0.625 20 30 CCEDLO C[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000352971144 356123139 /nfs/dbraw/zinc/12/31/39/356123139.db2.gz CMRMWJNQXXZUIW-JTQLQIEISA-N 1 2 269.308 0.526 20 30 CCEDLO CN1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000361270840 138026792 /nfs/dbraw/zinc/02/67/92/138026792.db2.gz GXNYXMGODRYAAI-UHFFFAOYSA-N 1 2 255.281 0.437 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c(F)c1 ZINC000361295679 138027452 /nfs/dbraw/zinc/02/74/52/138027452.db2.gz FYYLGJSLGQSLGO-CABCVRRESA-N 1 2 291.326 0.579 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3COC[C@H]3O)CCO2)c1 ZINC000361354695 138031426 /nfs/dbraw/zinc/03/14/26/138031426.db2.gz LEYSRTWJKFSBRN-ZNMIVQPWSA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3COC[C@H]3O)CCO2)c1 ZINC000361354695 138031427 /nfs/dbraw/zinc/03/14/27/138031427.db2.gz LEYSRTWJKFSBRN-ZNMIVQPWSA-N 1 2 274.320 0.691 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273761706 192296841 /nfs/dbraw/zinc/29/68/41/192296841.db2.gz YHVNQYOKQRUTPY-JGVFFNPUSA-N 1 2 252.343 0.635 20 30 CCEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)n1 ZINC000355122770 356582940 /nfs/dbraw/zinc/58/29/40/356582940.db2.gz IOIILTDVIQDHOC-CYBMUJFWSA-N 1 2 285.351 0.354 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CCOC[C@@H]3C#N)[nH+]c12 ZINC000610247199 363543538 /nfs/dbraw/zinc/54/35/38/363543538.db2.gz AFIDCTPCPLYQNI-ZDUSSCGKSA-N 1 2 284.319 0.936 20 30 CCEDLO C=C[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)C(=O)OC ZINC000619699904 366324290 /nfs/dbraw/zinc/32/42/90/366324290.db2.gz IMFMMCAYGODMFD-LBPRGKRZSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000619720521 366341615 /nfs/dbraw/zinc/34/16/15/366341615.db2.gz LYKGTWMJPUTTRN-LBPRGKRZSA-N 1 2 268.357 0.904 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000619718310 366337668 /nfs/dbraw/zinc/33/76/68/366337668.db2.gz IANRDGLHWDFNMY-CHWSQXEVSA-N 1 2 269.341 0.984 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H]1C ZINC000619750952 366348807 /nfs/dbraw/zinc/34/88/07/366348807.db2.gz CTYIGDSZJPPFJJ-NWDGAFQWSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H]1C ZINC000619750952 366348812 /nfs/dbraw/zinc/34/88/12/366348812.db2.gz CTYIGDSZJPPFJJ-NWDGAFQWSA-N 1 2 288.417 0.491 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284500 356984535 /nfs/dbraw/zinc/98/45/35/356984535.db2.gz GLGRNJGADOCDAS-QWHCGFSZSA-N 1 2 287.319 0.580 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284500 356984537 /nfs/dbraw/zinc/98/45/37/356984537.db2.gz GLGRNJGADOCDAS-QWHCGFSZSA-N 1 2 287.319 0.580 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000361409094 357047073 /nfs/dbraw/zinc/04/70/73/357047073.db2.gz FLJJRAWCXVVEOY-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000361409094 357047077 /nfs/dbraw/zinc/04/70/77/357047077.db2.gz FLJJRAWCXVVEOY-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[nH]n1CCC#N ZINC000364928841 357132727 /nfs/dbraw/zinc/13/27/27/357132727.db2.gz GTDCDCJEPZYFII-GFCCVEGCSA-N 1 2 298.350 0.925 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564831 363579506 /nfs/dbraw/zinc/57/95/06/363579506.db2.gz XAXKECHMDWBXBT-UHFFFAOYSA-N 1 2 299.338 0.496 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374010939 357394057 /nfs/dbraw/zinc/39/40/57/357394057.db2.gz ATXFQOMRHLQGMN-IPYPFGDCSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374010939 357394061 /nfs/dbraw/zinc/39/40/61/357394061.db2.gz ATXFQOMRHLQGMN-IPYPFGDCSA-N 1 2 282.384 0.947 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000376598612 357483798 /nfs/dbraw/zinc/48/37/98/357483798.db2.gz DPORSNNOQNGVOX-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000376598612 357483802 /nfs/dbraw/zinc/48/38/02/357483802.db2.gz DPORSNNOQNGVOX-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO Cn1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1C#N ZINC000377195526 357550624 /nfs/dbraw/zinc/55/06/24/357550624.db2.gz FTUNGMXDYUCLLS-LBPRGKRZSA-N 1 2 282.369 0.150 20 30 CCEDLO Cn1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1C#N ZINC000377195526 357550630 /nfs/dbraw/zinc/55/06/30/357550630.db2.gz FTUNGMXDYUCLLS-LBPRGKRZSA-N 1 2 282.369 0.150 20 30 CCEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cncc(C#N)c1 ZINC000401748527 357805131 /nfs/dbraw/zinc/80/51/31/357805131.db2.gz LWFLNSWBBJMMLZ-UHFFFAOYSA-N 1 2 291.336 0.208 20 30 CCEDLO COCCOC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405040196 357822928 /nfs/dbraw/zinc/82/29/28/357822928.db2.gz BEXFSILQJLZSHF-AWEZNQCLSA-N 1 2 276.336 0.898 20 30 CCEDLO COCCOC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405040196 357822930 /nfs/dbraw/zinc/82/29/30/357822930.db2.gz BEXFSILQJLZSHF-AWEZNQCLSA-N 1 2 276.336 0.898 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)C1CCC1 ZINC000449818514 358253496 /nfs/dbraw/zinc/25/34/96/358253496.db2.gz MEMKZWPGOXSWQM-AWEZNQCLSA-N 1 2 295.383 0.222 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000491661373 358295998 /nfs/dbraw/zinc/29/59/98/358295998.db2.gz AXMQXVSHUULZNI-IUODEOHRSA-N 1 2 287.363 0.543 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000491661373 358296001 /nfs/dbraw/zinc/29/60/01/358296001.db2.gz AXMQXVSHUULZNI-IUODEOHRSA-N 1 2 287.363 0.543 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc1 ZINC000584728581 359197117 /nfs/dbraw/zinc/19/71/17/359197117.db2.gz PRQLGARGTDKAQY-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)nc1 ZINC000584728581 359197122 /nfs/dbraw/zinc/19/71/22/359197122.db2.gz PRQLGARGTDKAQY-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000588120547 359314379 /nfs/dbraw/zinc/31/43/79/359314379.db2.gz YAUATZUFIWAWKM-GXSJLCMTSA-N 1 2 299.352 0.149 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000588120547 359314382 /nfs/dbraw/zinc/31/43/82/359314382.db2.gz YAUATZUFIWAWKM-GXSJLCMTSA-N 1 2 299.352 0.149 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000562933272 291173825 /nfs/dbraw/zinc/17/38/25/291173825.db2.gz DBCOCWNVUVJAQQ-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000562933272 291173826 /nfs/dbraw/zinc/17/38/26/291173826.db2.gz DBCOCWNVUVJAQQ-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000589179384 359365363 /nfs/dbraw/zinc/36/53/63/359365363.db2.gz KUYKRIRSZOBLBV-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000589179384 359365367 /nfs/dbraw/zinc/36/53/67/359365367.db2.gz KUYKRIRSZOBLBV-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C#N)n1 ZINC000589464650 359385010 /nfs/dbraw/zinc/38/50/10/359385010.db2.gz UGYJQUPUBIVZET-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(C#N)n1 ZINC000589464650 359385012 /nfs/dbraw/zinc/38/50/12/359385012.db2.gz UGYJQUPUBIVZET-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)c1ccco1 ZINC000589827832 359403166 /nfs/dbraw/zinc/40/31/66/359403166.db2.gz PNOYIDLRKGAWRT-AWEZNQCLSA-N 1 2 292.339 0.360 20 30 CCEDLO Cc1cc(N2CCCN(S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000591818053 359662557 /nfs/dbraw/zinc/66/25/57/359662557.db2.gz BPJATXPHTWOJID-UHFFFAOYSA-N 1 2 294.380 0.733 20 30 CCEDLO Cc1cc(NCCCN2CCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000591819194 359662960 /nfs/dbraw/zinc/66/29/60/359662960.db2.gz LFLYKJBEQUVQMR-UHFFFAOYSA-N 1 2 294.380 0.521 20 30 CCEDLO Cc1cc(N2CC[C@@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591824914 359663026 /nfs/dbraw/zinc/66/30/26/359663026.db2.gz NKNKXUSAPXQZPZ-LLVKDONJSA-N 1 2 265.338 0.885 20 30 CCEDLO Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000591820832 359663080 /nfs/dbraw/zinc/66/30/80/359663080.db2.gz VQOZWXYPNMECCA-SNVBAGLBSA-N 1 2 265.338 0.885 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)CC2(CCCC2)O1 ZINC000592189883 359780835 /nfs/dbraw/zinc/78/08/35/359780835.db2.gz YVUBEQBHJKEGGL-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)CC2(CCCC2)O1 ZINC000592189883 359780837 /nfs/dbraw/zinc/78/08/37/359780837.db2.gz YVUBEQBHJKEGGL-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148654 359767332 /nfs/dbraw/zinc/76/73/32/359767332.db2.gz YLQVLAYXKOEDHP-INIZCTEOSA-N 1 2 287.363 0.962 20 30 CCEDLO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148654 359767335 /nfs/dbraw/zinc/76/73/35/359767335.db2.gz YLQVLAYXKOEDHP-INIZCTEOSA-N 1 2 287.363 0.962 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149229 359769331 /nfs/dbraw/zinc/76/93/31/359769331.db2.gz LFBZGBMFBDAONR-YGRLFVJLSA-N 1 2 296.371 0.350 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149229 359769333 /nfs/dbraw/zinc/76/93/33/359769333.db2.gz LFBZGBMFBDAONR-YGRLFVJLSA-N 1 2 296.371 0.350 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000611173901 363670549 /nfs/dbraw/zinc/67/05/49/363670549.db2.gz QGEOYTBFRCFTMG-UHFFFAOYSA-N 1 2 250.346 0.044 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176179 363671984 /nfs/dbraw/zinc/67/19/84/363671984.db2.gz YFLLNRLXZGTRDD-UHFFFAOYSA-N 1 2 276.384 0.718 20 30 CCEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)C(=O)OC ZINC000592510174 359867161 /nfs/dbraw/zinc/86/71/61/359867161.db2.gz AKJFVVNMVFTHNL-NEPJUHHUSA-N 1 2 294.355 0.259 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000611303549 363705271 /nfs/dbraw/zinc/70/52/71/363705271.db2.gz BSIHDFAOYBXUOC-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000611303549 363705274 /nfs/dbraw/zinc/70/52/74/363705274.db2.gz BSIHDFAOYBXUOC-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947263 359992816 /nfs/dbraw/zinc/99/28/16/359992816.db2.gz AWENIUNQEGHRFL-GWCFXTLKSA-N 1 2 262.288 0.910 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593078391 360028802 /nfs/dbraw/zinc/02/88/02/360028802.db2.gz YBUPLSYZTCLJFU-LBPRGKRZSA-N 1 2 264.329 0.718 20 30 CCEDLO N#Cc1cccc2c1C[N@H+](CCCC(=O)NC(N)=O)C2 ZINC000593123318 360044481 /nfs/dbraw/zinc/04/44/81/360044481.db2.gz VAXOMPJPOVROMM-UHFFFAOYSA-N 1 2 272.308 0.849 20 30 CCEDLO N#Cc1cccc2c1C[N@@H+](CCCC(=O)NC(N)=O)C2 ZINC000593123318 360044485 /nfs/dbraw/zinc/04/44/85/360044485.db2.gz VAXOMPJPOVROMM-UHFFFAOYSA-N 1 2 272.308 0.849 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)C(=O)NC2 ZINC000593341438 360068427 /nfs/dbraw/zinc/06/84/27/360068427.db2.gz YKLDWJMLHDWHKQ-LBPRGKRZSA-N 1 2 289.335 0.515 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)C(=O)NC2 ZINC000593341438 360068430 /nfs/dbraw/zinc/06/84/30/360068430.db2.gz YKLDWJMLHDWHKQ-LBPRGKRZSA-N 1 2 289.335 0.515 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000593659198 360129318 /nfs/dbraw/zinc/12/93/18/360129318.db2.gz ZUNOYCPTSLMEIZ-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000593844321 360176150 /nfs/dbraw/zinc/17/61/50/360176150.db2.gz LASARXODZMITCM-ZDUSSCGKSA-N 1 2 299.334 0.434 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000593844321 360176155 /nfs/dbraw/zinc/17/61/55/360176155.db2.gz LASARXODZMITCM-ZDUSSCGKSA-N 1 2 299.334 0.434 20 30 CCEDLO Cn1cc(CC[NH+]2CCN(C(=O)CC#N)CC2)cn1 ZINC000594001231 360231274 /nfs/dbraw/zinc/23/12/74/360231274.db2.gz SGVDMYMKANIXIV-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO CC1(C)C[NH+](CC(=O)N[C@]2(C#N)CCSC2)C1 ZINC000594257256 360264524 /nfs/dbraw/zinc/26/45/24/360264524.db2.gz BYFWLHFXKIIBRZ-LBPRGKRZSA-N 1 2 253.371 0.844 20 30 CCEDLO CCc1nc(N2CCN(C(=O)CC#N)CC2)cc(C)[nH+]1 ZINC000594586870 360335681 /nfs/dbraw/zinc/33/56/81/360335681.db2.gz KRCXUOIGBLMFMO-UHFFFAOYSA-N 1 2 273.340 0.910 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCC(=O)OC)nn1 ZINC000594655083 360354578 /nfs/dbraw/zinc/35/45/78/360354578.db2.gz WKFXMFBHNUZYIR-UHFFFAOYSA-N 1 2 250.302 0.344 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595309296 360490479 /nfs/dbraw/zinc/49/04/79/360490479.db2.gz QJCDQEGYAWHRQY-AWEZNQCLSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595309296 360490487 /nfs/dbraw/zinc/49/04/87/360490487.db2.gz QJCDQEGYAWHRQY-AWEZNQCLSA-N 1 2 274.320 0.975 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552167 360577200 /nfs/dbraw/zinc/57/72/00/360577200.db2.gz PBRBMCLCWXRFIQ-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552167 360577203 /nfs/dbraw/zinc/57/72/03/360577203.db2.gz PBRBMCLCWXRFIQ-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO N#CCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595487051 360547802 /nfs/dbraw/zinc/54/78/02/360547802.db2.gz CRHIXZXPDXVQHN-CYBMUJFWSA-N 1 2 280.372 0.796 20 30 CCEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1c[nH+]c[nH]1 ZINC000595596178 360592579 /nfs/dbraw/zinc/59/25/79/360592579.db2.gz KZBNPAMGEKNXEL-UHFFFAOYSA-N 1 2 274.328 0.497 20 30 CCEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1c[nH]c[nH+]1 ZINC000595596178 360592582 /nfs/dbraw/zinc/59/25/82/360592582.db2.gz KZBNPAMGEKNXEL-UHFFFAOYSA-N 1 2 274.328 0.497 20 30 CCEDLO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C#N ZINC000595813775 360665192 /nfs/dbraw/zinc/66/51/92/360665192.db2.gz OUGPXTOHTHRENJ-SNVBAGLBSA-N 1 2 266.345 0.941 20 30 CCEDLO CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C#N ZINC000595813775 360665193 /nfs/dbraw/zinc/66/51/93/360665193.db2.gz OUGPXTOHTHRENJ-SNVBAGLBSA-N 1 2 266.345 0.941 20 30 CCEDLO CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C#N ZINC000595817062 360667064 /nfs/dbraw/zinc/66/70/64/360667064.db2.gz GBQZCFFQUFNYLB-MRVPVSSYSA-N 1 2 294.277 0.999 20 30 CCEDLO CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C#N ZINC000595817062 360667070 /nfs/dbraw/zinc/66/70/70/360667070.db2.gz GBQZCFFQUFNYLB-MRVPVSSYSA-N 1 2 294.277 0.999 20 30 CCEDLO Cc1ccc(C#N)nc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000596153203 360814242 /nfs/dbraw/zinc/81/42/42/360814242.db2.gz QJRTUUAIWKCSIR-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cncc(C#N)n2)[C@H](C)CO1 ZINC000596432132 360893187 /nfs/dbraw/zinc/89/31/87/360893187.db2.gz QNFKHNKJEMFXLE-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cncc(C#N)n2)[C@H](C)CO1 ZINC000596432132 360893189 /nfs/dbraw/zinc/89/31/89/360893189.db2.gz QNFKHNKJEMFXLE-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCC#N)[C@H](C)CO1 ZINC000596555745 360920606 /nfs/dbraw/zinc/92/06/06/360920606.db2.gz UCWHFMGODPRCBC-VXGBXAGGSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCC#N)[C@H](C)CO1 ZINC000596555745 360920611 /nfs/dbraw/zinc/92/06/11/360920611.db2.gz UCWHFMGODPRCBC-VXGBXAGGSA-N 1 2 268.361 0.699 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1F ZINC000596621578 360929904 /nfs/dbraw/zinc/92/99/04/360929904.db2.gz NHTMSLHHPXSATK-PWSUYJOCSA-N 1 2 263.272 0.118 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1F ZINC000596621578 360929912 /nfs/dbraw/zinc/92/99/12/360929912.db2.gz NHTMSLHHPXSATK-PWSUYJOCSA-N 1 2 263.272 0.118 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000597306335 361057119 /nfs/dbraw/zinc/05/71/19/361057119.db2.gz HXCDMQBSEIUGHE-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c[nH]1 ZINC000597706690 361203471 /nfs/dbraw/zinc/20/34/71/361203471.db2.gz IGZIKFSXRGJAPX-CQSZACIVSA-N 1 2 288.351 0.823 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@@H](C#N)CO)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000597744325 361227243 /nfs/dbraw/zinc/22/72/43/361227243.db2.gz RIGCYBDFHFVBSX-NDBYEHHHSA-N 1 2 283.372 0.121 20 30 CCEDLO CC(C)(C)CNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000599336092 361656936 /nfs/dbraw/zinc/65/69/36/361656936.db2.gz FVRRQWHAMRMXOI-UHFFFAOYSA-N 1 2 266.389 0.680 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612697508 363994977 /nfs/dbraw/zinc/99/49/77/363994977.db2.gz WJNDFCMVDZAGPT-FZMZJTMJSA-N 1 2 290.367 0.854 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612697508 363994982 /nfs/dbraw/zinc/99/49/82/363994982.db2.gz WJNDFCMVDZAGPT-FZMZJTMJSA-N 1 2 290.367 0.854 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613252141 364180600 /nfs/dbraw/zinc/18/06/00/364180600.db2.gz CCADWADADMQZOS-QJPTWQEYSA-N 1 2 263.341 0.824 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614668095 364696228 /nfs/dbraw/zinc/69/62/28/364696228.db2.gz LEWREVIVLWMVLK-FZMZJTMJSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614668095 364696232 /nfs/dbraw/zinc/69/62/32/364696232.db2.gz LEWREVIVLWMVLK-FZMZJTMJSA-N 1 2 294.355 0.335 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615521225 364992055 /nfs/dbraw/zinc/99/20/55/364992055.db2.gz RJBFWDXURBQIQM-ZYHUDNBSSA-N 1 2 265.292 0.919 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000615825591 365097492 /nfs/dbraw/zinc/09/74/92/365097492.db2.gz RPQOYSSZDTXWPK-MFKMUULPSA-N 1 2 262.288 0.910 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000616208281 365216259 /nfs/dbraw/zinc/21/62/59/365216259.db2.gz WPKICKJRKCZOQJ-ZDUSSCGKSA-N 1 2 278.356 0.550 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333816 368151171 /nfs/dbraw/zinc/15/11/71/368151171.db2.gz MLCIFSKVLNXFAT-STQMWFEESA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333816 368151174 /nfs/dbraw/zinc/15/11/74/368151174.db2.gz MLCIFSKVLNXFAT-STQMWFEESA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C(N)=O)C1 ZINC000574205648 335000892 /nfs/dbraw/zinc/00/08/92/335000892.db2.gz GEXIJZMQEOHXKQ-GXFFZTMASA-N 1 2 298.350 0.687 20 30 CCEDLO C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C(N)=O)C1 ZINC000574205648 335000894 /nfs/dbraw/zinc/00/08/94/335000894.db2.gz GEXIJZMQEOHXKQ-GXFFZTMASA-N 1 2 298.350 0.687 20 30 CCEDLO C=CC[C@@H](CC)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632301713 370972162 /nfs/dbraw/zinc/97/21/62/370972162.db2.gz LGBKVSNYKCKQLX-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CC[C@@H](CC)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632301713 370972165 /nfs/dbraw/zinc/97/21/65/370972165.db2.gz LGBKVSNYKCKQLX-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898350 371770119 /nfs/dbraw/zinc/77/01/19/371770119.db2.gz DUKOXCZAJDZHLG-INIZCTEOSA-N 1 2 290.363 0.973 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)Cc2[nH]cc(CC)[nH+]2)C1=O ZINC000635892548 373061532 /nfs/dbraw/zinc/06/15/32/373061532.db2.gz ZRHQNZHFCHKEJH-LBPRGKRZSA-N 1 2 290.367 0.760 20 30 CCEDLO Cc1cn(Cc2nc(N(C)C)nc(N)[nH+]2)cc1C#N ZINC000568349043 291584287 /nfs/dbraw/zinc/58/42/87/291584287.db2.gz LTBKYLWSQDBOOR-UHFFFAOYSA-N 1 2 257.301 0.380 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCCOC)nn1 ZINC000640903652 376609097 /nfs/dbraw/zinc/60/90/97/376609097.db2.gz GVRFFLVRISIECD-GFCCVEGCSA-N 1 2 293.371 0.105 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc(CCC)n2)nn1 ZINC000640933702 376622468 /nfs/dbraw/zinc/62/24/68/376622468.db2.gz SOLDZBZXOAJLQG-UHFFFAOYSA-N 1 2 274.328 0.775 20 30 CCEDLO C=CCOCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641030425 376686842 /nfs/dbraw/zinc/68/68/42/376686842.db2.gz YRWXBQOJKPFKCM-UHFFFAOYSA-N 1 2 266.345 0.355 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(CC)o2)nn1 ZINC000641034596 376691677 /nfs/dbraw/zinc/69/16/77/376691677.db2.gz VXZBVKODARGTKD-JTQLQIEISA-N 1 2 274.328 0.946 20 30 CCEDLO CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000129197270 284765860 /nfs/dbraw/zinc/76/58/60/284765860.db2.gz PYPOZEUXSJMEBV-UHFFFAOYSA-N 1 2 292.408 0.873 20 30 CCEDLO COCC(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425201860 533055847 /nfs/dbraw/zinc/05/58/47/533055847.db2.gz BCWMLYFNRDPKSS-UHFFFAOYSA-N 1 2 288.351 0.733 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@]2(CO)CCOC2)nn1 ZINC000657436944 412990357 /nfs/dbraw/zinc/99/03/57/412990357.db2.gz WLAMWNWLJBOMAG-GFCCVEGCSA-N 1 2 252.318 0.095 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)NC(C)C)nn1 ZINC000657496228 413007732 /nfs/dbraw/zinc/00/77/32/413007732.db2.gz NICQZIZSRWBDPG-LLVKDONJSA-N 1 2 265.361 0.857 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CO ZINC000330284822 285289852 /nfs/dbraw/zinc/28/98/52/285289852.db2.gz YALUZPKURCYLJQ-WDEREUQCSA-N 1 2 264.329 0.569 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C)CC1 ZINC000282564710 388756099 /nfs/dbraw/zinc/75/60/99/388756099.db2.gz VDSGCOOEFLLQDE-UHFFFAOYSA-N 1 2 296.378 0.556 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283083775 388762561 /nfs/dbraw/zinc/76/25/61/388762561.db2.gz COTKZSJYDMGMQS-UHFFFAOYSA-N 1 2 264.329 0.472 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284070711 388772558 /nfs/dbraw/zinc/77/25/58/388772558.db2.gz URVNPJDMYFXRGE-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000284667760 388782452 /nfs/dbraw/zinc/78/24/52/388782452.db2.gz MGUWCDGHQTXHNG-OLZOCXBDSA-N 1 2 274.324 0.431 20 30 CCEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000284667760 388782455 /nfs/dbraw/zinc/78/24/55/388782455.db2.gz MGUWCDGHQTXHNG-OLZOCXBDSA-N 1 2 274.324 0.431 20 30 CCEDLO CSC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000187915139 388902555 /nfs/dbraw/zinc/90/25/55/388902555.db2.gz AJBKIBFDLLIAEW-ZDUSSCGKSA-N 1 2 287.429 0.258 20 30 CCEDLO CSC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000187915139 388902557 /nfs/dbraw/zinc/90/25/57/388902557.db2.gz AJBKIBFDLLIAEW-ZDUSSCGKSA-N 1 2 287.429 0.258 20 30 CCEDLO CSC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000187915139 388902560 /nfs/dbraw/zinc/90/25/60/388902560.db2.gz AJBKIBFDLLIAEW-ZDUSSCGKSA-N 1 2 287.429 0.258 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000290932014 388914186 /nfs/dbraw/zinc/91/41/86/388914186.db2.gz VHNIIJFCWXXFOL-SMDDNHRTSA-N 1 2 297.424 0.949 20 30 CCEDLO N#Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1O ZINC000188301253 388923642 /nfs/dbraw/zinc/92/36/42/388923642.db2.gz GIZICDDJTZSXSU-UHFFFAOYSA-N 1 2 256.265 0.890 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188397372 388927314 /nfs/dbraw/zinc/92/73/14/388927314.db2.gz RRKHLROBWWQKNQ-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188397372 388927317 /nfs/dbraw/zinc/92/73/17/388927317.db2.gz RRKHLROBWWQKNQ-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO Cc1nc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccc1C#N ZINC000291661351 388932301 /nfs/dbraw/zinc/93/23/01/388932301.db2.gz OUYLRRKGGWTUAO-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(O)(CC#N)C1 ZINC000189547493 388962991 /nfs/dbraw/zinc/96/29/91/388962991.db2.gz XDUKPYJHOCCENZ-UHFFFAOYSA-N 1 2 284.319 0.832 20 30 CCEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC#N)CC2 ZINC000066472286 388944269 /nfs/dbraw/zinc/94/42/69/388944269.db2.gz SKEIORUXHGJERV-UHFFFAOYSA-N 1 2 289.335 0.702 20 30 CCEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC#N)CC2 ZINC000066472286 388944272 /nfs/dbraw/zinc/94/42/72/388944272.db2.gz SKEIORUXHGJERV-UHFFFAOYSA-N 1 2 289.335 0.702 20 30 CCEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092734820 389030343 /nfs/dbraw/zinc/03/03/43/389030343.db2.gz MCVKVHKFEHRRIX-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092734820 389030344 /nfs/dbraw/zinc/03/03/44/389030344.db2.gz MCVKVHKFEHRRIX-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000354280366 389019834 /nfs/dbraw/zinc/01/98/34/389019834.db2.gz DAEQSGFBFUAYJQ-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000354280366 389019838 /nfs/dbraw/zinc/01/98/38/389019838.db2.gz DAEQSGFBFUAYJQ-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354400281 389023245 /nfs/dbraw/zinc/02/32/45/389023245.db2.gz OROCLWLEJWSEHM-CQSZACIVSA-N 1 2 278.356 0.381 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN([C@H](C)CO)CC2)C1=O ZINC000337205450 389054945 /nfs/dbraw/zinc/05/49/45/389054945.db2.gz KOZZZHIEZMJPNF-ZIAGYGMSSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCN([C@H](C)CO)CC2)C1=O ZINC000337205450 389054948 /nfs/dbraw/zinc/05/49/48/389054948.db2.gz KOZZZHIEZMJPNF-ZIAGYGMSSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219590 389055713 /nfs/dbraw/zinc/05/57/13/389055713.db2.gz JYDRLJGEZKUPBF-OLZOCXBDSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219590 389055715 /nfs/dbraw/zinc/05/57/15/389055715.db2.gz JYDRLJGEZKUPBF-OLZOCXBDSA-N 1 2 277.368 0.468 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000194342742 389093691 /nfs/dbraw/zinc/09/36/91/389093691.db2.gz KDKPZXWRSLIBGF-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO CC1(C#N)CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000355446057 389078923 /nfs/dbraw/zinc/07/89/23/389078923.db2.gz KIGFJTNGUMIJNA-UHFFFAOYSA-N 1 2 280.372 0.654 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000302912403 389080125 /nfs/dbraw/zinc/08/01/25/389080125.db2.gz QCIWHGKSLZWGRZ-SWLSCSKDSA-N 1 2 292.383 0.347 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000302912403 389080127 /nfs/dbraw/zinc/08/01/27/389080127.db2.gz QCIWHGKSLZWGRZ-SWLSCSKDSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338163780 389081748 /nfs/dbraw/zinc/08/17/48/389081748.db2.gz MVDULSZPHOKHLX-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000305078286 389084122 /nfs/dbraw/zinc/08/41/22/389084122.db2.gz WGPCJVMQJDWYCH-IGQOVBAYSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000305078286 389084125 /nfs/dbraw/zinc/08/41/25/389084125.db2.gz WGPCJVMQJDWYCH-IGQOVBAYSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000107595573 389097301 /nfs/dbraw/zinc/09/73/01/389097301.db2.gz LTOCTIGJWAIKFP-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO CN1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000328953839 389147329 /nfs/dbraw/zinc/14/73/29/389147329.db2.gz MOZKQLYFYLYGRZ-NXEZZACHSA-N 1 2 262.313 0.633 20 30 CCEDLO Cc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nnn1C(C)C ZINC000328950374 389147344 /nfs/dbraw/zinc/14/73/44/389147344.db2.gz LFRPLUDMAYHGDW-GFCCVEGCSA-N 1 2 292.387 0.472 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccccc1 ZINC000121358182 389147454 /nfs/dbraw/zinc/14/74/54/389147454.db2.gz LRCYSQQBNSYCBN-SECBINFHSA-N 1 2 251.286 0.685 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C[C@@H](C)C#N)C2CC2)nn1 ZINC000338347523 389109202 /nfs/dbraw/zinc/10/92/02/389109202.db2.gz HCGKEYIXRHBGTO-NSHDSACASA-N 1 2 291.355 0.618 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)nn1 ZINC000338347523 389109203 /nfs/dbraw/zinc/10/92/03/389109203.db2.gz HCGKEYIXRHBGTO-NSHDSACASA-N 1 2 291.355 0.618 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338352240 389109445 /nfs/dbraw/zinc/10/94/45/389109445.db2.gz HDKVFNFRABYXDU-VHSXEESVSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338352240 389109447 /nfs/dbraw/zinc/10/94/47/389109447.db2.gz HDKVFNFRABYXDU-VHSXEESVSA-N 1 2 266.345 0.845 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338592410 389112844 /nfs/dbraw/zinc/11/28/44/389112844.db2.gz ZNMUJXYFEDKTAE-JSGCOSHPSA-N 1 2 270.348 0.982 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338592410 389112847 /nfs/dbraw/zinc/11/28/47/389112847.db2.gz ZNMUJXYFEDKTAE-JSGCOSHPSA-N 1 2 270.348 0.982 20 30 CCEDLO Cc1nc(C)n(C[C@H]2C[N@H+](CCOCCC#N)CCO2)n1 ZINC000338975144 389120527 /nfs/dbraw/zinc/12/05/27/389120527.db2.gz WNSDALFJFOPUFZ-CQSZACIVSA-N 1 2 293.371 0.526 20 30 CCEDLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCOCCC#N)CCO2)n1 ZINC000338975144 389120529 /nfs/dbraw/zinc/12/05/29/389120529.db2.gz WNSDALFJFOPUFZ-CQSZACIVSA-N 1 2 293.371 0.526 20 30 CCEDLO C=CCOCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000339036206 389122227 /nfs/dbraw/zinc/12/22/27/389122227.db2.gz RJMWQZMGBBBPTG-LBPRGKRZSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CCOCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000339036206 389122229 /nfs/dbraw/zinc/12/22/29/389122229.db2.gz RJMWQZMGBBBPTG-LBPRGKRZSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000113943126 389129959 /nfs/dbraw/zinc/12/99/59/389129959.db2.gz KUAICSUBYBWRNF-LBPRGKRZSA-N 1 2 283.372 0.745 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000113943126 389129960 /nfs/dbraw/zinc/12/99/60/389129960.db2.gz KUAICSUBYBWRNF-LBPRGKRZSA-N 1 2 283.372 0.745 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCC(=O)N1 ZINC000328778643 389136911 /nfs/dbraw/zinc/13/69/11/389136911.db2.gz GJPBWWDJBKWVOK-SNVBAGLBSA-N 1 2 255.318 0.784 20 30 CCEDLO CN1CCN(c2cc(NCCCC#N)[nH+]cn2)CC1=O ZINC000359727200 389182594 /nfs/dbraw/zinc/18/25/94/389182594.db2.gz GBJMLHYTHBTZDQ-UHFFFAOYSA-N 1 2 274.328 0.471 20 30 CCEDLO CN1CCN(c2cc(NCCCC#N)nc[nH+]2)CC1=O ZINC000359727200 389182596 /nfs/dbraw/zinc/18/25/96/389182596.db2.gz GBJMLHYTHBTZDQ-UHFFFAOYSA-N 1 2 274.328 0.471 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cncc(C)n2)CC1 ZINC000359704967 389182750 /nfs/dbraw/zinc/18/27/50/389182750.db2.gz DJEQXJZZDYNRIS-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000329676027 389186558 /nfs/dbraw/zinc/18/65/58/389186558.db2.gz PIXMMPKSTMNVSU-VIFPVBQESA-N 1 2 290.327 0.378 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000329676027 389186561 /nfs/dbraw/zinc/18/65/61/389186561.db2.gz PIXMMPKSTMNVSU-VIFPVBQESA-N 1 2 290.327 0.378 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC000341522727 389188476 /nfs/dbraw/zinc/18/84/76/389188476.db2.gz LWOFFISVEKICID-LLVKDONJSA-N 1 2 299.396 0.339 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC000341522727 389188480 /nfs/dbraw/zinc/18/84/80/389188480.db2.gz LWOFFISVEKICID-LLVKDONJSA-N 1 2 299.396 0.339 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCOC1 ZINC000329712092 389191285 /nfs/dbraw/zinc/19/12/85/389191285.db2.gz PNECWYWVTQYYQU-STQMWFEESA-N 1 2 285.388 0.732 20 30 CCEDLO Cc1nc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)ccc1C#N ZINC000329724769 389193050 /nfs/dbraw/zinc/19/30/50/389193050.db2.gz OBPPRZXJQNDQAI-ZDUSSCGKSA-N 1 2 296.334 0.984 20 30 CCEDLO CC#CCC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360493545 389199188 /nfs/dbraw/zinc/19/91/88/389199188.db2.gz YLCASDSTUQUQOT-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360493545 389199189 /nfs/dbraw/zinc/19/91/89/389199189.db2.gz YLCASDSTUQUQOT-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000342218888 389200674 /nfs/dbraw/zinc/20/06/74/389200674.db2.gz NLYHVZUYJGIWMT-QWRGUYRKSA-N 1 2 276.365 0.913 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000329252943 389153536 /nfs/dbraw/zinc/15/35/36/389153536.db2.gz YWBOVZFEKFPAFY-AWEZNQCLSA-N 1 2 294.355 0.716 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000358560448 389155264 /nfs/dbraw/zinc/15/52/64/389155264.db2.gz SVEUAAIAHCSLNR-LBPRGKRZSA-N 1 2 290.367 0.897 20 30 CCEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[S@@](=O)C1 ZINC000329326793 389157410 /nfs/dbraw/zinc/15/74/10/389157410.db2.gz WVIKPRRBJCCKCD-SBKAZYGRSA-N 1 2 292.364 0.859 20 30 CCEDLO C=CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000124927331 389163489 /nfs/dbraw/zinc/16/34/89/389163489.db2.gz STBMDSQWRQDAIZ-UHFFFAOYSA-N 1 2 294.399 0.416 20 30 CCEDLO CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(C)C1=O ZINC000329527833 389168898 /nfs/dbraw/zinc/16/88/98/389168898.db2.gz HYXRCYICWNOYRL-MNOVXSKESA-N 1 2 291.355 0.274 20 30 CCEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329562838 389171115 /nfs/dbraw/zinc/17/11/15/389171115.db2.gz NFYFWTGMDUARHJ-XQQFMLRXSA-N 1 2 278.356 0.808 20 30 CCEDLO C[C@H](CO)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330580022 389243059 /nfs/dbraw/zinc/24/30/59/389243059.db2.gz PRHXTAJSKCSNRB-LLVKDONJSA-N 1 2 273.377 0.324 20 30 CCEDLO C[C@H](CO)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330580022 389243063 /nfs/dbraw/zinc/24/30/63/389243063.db2.gz PRHXTAJSKCSNRB-LLVKDONJSA-N 1 2 273.377 0.324 20 30 CCEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)on1 ZINC000330616618 389246601 /nfs/dbraw/zinc/24/66/01/389246601.db2.gz DYQRLJNYPRISNT-SNVBAGLBSA-N 1 2 297.359 0.717 20 30 CCEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)on1 ZINC000330616618 389246602 /nfs/dbraw/zinc/24/66/02/389246602.db2.gz DYQRLJNYPRISNT-SNVBAGLBSA-N 1 2 297.359 0.717 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000248625648 389247687 /nfs/dbraw/zinc/24/76/87/389247687.db2.gz UWZTULRIZLHDMJ-CABCVRRESA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000248625648 389247688 /nfs/dbraw/zinc/24/76/88/389247688.db2.gz UWZTULRIZLHDMJ-CABCVRRESA-N 1 2 292.383 0.525 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000249724058 389258611 /nfs/dbraw/zinc/25/86/11/389258611.db2.gz OMWFCMQYXWNCAY-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000249724058 389258613 /nfs/dbraw/zinc/25/86/13/389258613.db2.gz OMWFCMQYXWNCAY-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(CC2(C#N)CC2)CC1 ZINC000343315891 389264054 /nfs/dbraw/zinc/26/40/54/389264054.db2.gz RSDBPOFBULAMNJ-UHFFFAOYSA-N 1 2 259.357 0.841 20 30 CCEDLO C=CCOC[C@@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000361112841 389208584 /nfs/dbraw/zinc/20/85/84/389208584.db2.gz JQVHWCZHBMWREH-GFCCVEGCSA-N 1 2 287.356 0.516 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000342483383 389219451 /nfs/dbraw/zinc/21/94/51/389219451.db2.gz DTRJGODZBWRXEF-RYUDHWBXSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000342483383 389219454 /nfs/dbraw/zinc/21/94/54/389219454.db2.gz DTRJGODZBWRXEF-RYUDHWBXSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000330423069 389227250 /nfs/dbraw/zinc/22/72/50/389227250.db2.gz IAXXMCNSYGUPOZ-NSHDSACASA-N 1 2 252.318 0.689 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000330423069 389227252 /nfs/dbraw/zinc/22/72/52/389227252.db2.gz IAXXMCNSYGUPOZ-NSHDSACASA-N 1 2 252.318 0.689 20 30 CCEDLO Cc1[nH]c(C(=O)NCCN2C(=O)CCCC2=O)c[nH+]1 ZINC000330443298 389230325 /nfs/dbraw/zinc/23/03/25/389230325.db2.gz FTPRHESCPCXCBO-UHFFFAOYSA-N 1 2 264.285 0.562 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330461057 389231786 /nfs/dbraw/zinc/23/17/86/389231786.db2.gz WGRNTRHGAPDRRJ-HIFRSBDPSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330461057 389231789 /nfs/dbraw/zinc/23/17/89/389231789.db2.gz WGRNTRHGAPDRRJ-HIFRSBDPSA-N 1 2 294.399 0.641 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246742795 389231895 /nfs/dbraw/zinc/23/18/95/389231895.db2.gz UZJKQVJHTBJOOY-CHWSQXEVSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246742795 389231899 /nfs/dbraw/zinc/23/18/99/389231899.db2.gz UZJKQVJHTBJOOY-CHWSQXEVSA-N 1 2 292.383 0.492 20 30 CCEDLO CC[C@H](C(=O)N(C)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330467019 389232886 /nfs/dbraw/zinc/23/28/86/389232886.db2.gz XURCHBXJTBGQRZ-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H](C(=O)N(C)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330467019 389232887 /nfs/dbraw/zinc/23/28/87/389232887.db2.gz XURCHBXJTBGQRZ-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CNC(=O)NC(=O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000330471299 389232961 /nfs/dbraw/zinc/23/29/61/389232961.db2.gz DTWBPMKBLSGVAQ-UHFFFAOYSA-N 1 2 291.355 0.172 20 30 CCEDLO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)o1 ZINC000330475482 389233683 /nfs/dbraw/zinc/23/36/83/389233683.db2.gz JKPSEQWFUPEFLJ-LLVKDONJSA-N 1 2 283.328 0.289 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330474353 389233879 /nfs/dbraw/zinc/23/38/79/389233879.db2.gz HQOZOZHSUVIFHY-GFCCVEGCSA-N 1 2 279.344 0.398 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330474353 389233882 /nfs/dbraw/zinc/23/38/82/389233882.db2.gz HQOZOZHSUVIFHY-GFCCVEGCSA-N 1 2 279.344 0.398 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133483921 389235938 /nfs/dbraw/zinc/23/59/38/389235938.db2.gz OUAHEKREJHIZGT-QWRGUYRKSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133483921 389235940 /nfs/dbraw/zinc/23/59/40/389235940.db2.gz OUAHEKREJHIZGT-QWRGUYRKSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)COC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000247345317 389239264 /nfs/dbraw/zinc/23/92/64/389239264.db2.gz GVFNQSIIBHRSHR-QWHCGFSZSA-N 1 2 291.413 0.447 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)COC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000247345317 389239267 /nfs/dbraw/zinc/23/92/67/389239267.db2.gz GVFNQSIIBHRSHR-QWHCGFSZSA-N 1 2 291.413 0.447 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000345721804 389313077 /nfs/dbraw/zinc/31/30/77/389313077.db2.gz LVCVLHXUZPBJPF-ILXRZTDVSA-N 1 2 295.427 0.720 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000345915102 389318289 /nfs/dbraw/zinc/31/82/89/389318289.db2.gz WMVJJZLTLYKFFU-KKUMJFAQSA-N 1 2 295.427 0.720 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000367104071 389322007 /nfs/dbraw/zinc/32/20/07/389322007.db2.gz WODAJXRWTZVCAD-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000367104071 389322009 /nfs/dbraw/zinc/32/20/09/389322009.db2.gz WODAJXRWTZVCAD-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000264400121 389325974 /nfs/dbraw/zinc/32/59/74/389325974.db2.gz OVIDCPDHRZKYIF-GFCCVEGCSA-N 1 2 283.372 0.009 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000264400121 389325979 /nfs/dbraw/zinc/32/59/79/389325979.db2.gz OVIDCPDHRZKYIF-GFCCVEGCSA-N 1 2 283.372 0.009 20 30 CCEDLO C=CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000157761952 389333828 /nfs/dbraw/zinc/33/38/28/389333828.db2.gz OURVFVHYXXXHLX-VXGBXAGGSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000157761952 389333829 /nfs/dbraw/zinc/33/38/29/389333829.db2.gz OURVFVHYXXXHLX-VXGBXAGGSA-N 1 2 259.371 0.841 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330997584 389277600 /nfs/dbraw/zinc/27/76/00/389277600.db2.gz VDJCTKHCFNVDDQ-HRDYMLBCSA-N 1 2 286.332 0.050 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330997584 389277603 /nfs/dbraw/zinc/27/76/03/389277603.db2.gz VDJCTKHCFNVDDQ-HRDYMLBCSA-N 1 2 286.332 0.050 20 30 CCEDLO C=CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000331360862 389303445 /nfs/dbraw/zinc/30/34/45/389303445.db2.gz YILRGIWSNBCIDA-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO Cc1cc(N2CC[C@]3(C2)NC(=O)N(C)C3=O)c(C#N)c[nH+]1 ZINC000333401135 389411747 /nfs/dbraw/zinc/41/17/47/389411747.db2.gz FQAQJLLJTNDACW-CQSZACIVSA-N 1 2 285.307 0.392 20 30 CCEDLO Cc1cc(N2CC[C@]3(CNC(=O)C3)C2)c(C#N)c[nH+]1 ZINC000333460409 389413848 /nfs/dbraw/zinc/41/38/48/389413848.db2.gz LLOQJZONCWETPV-AWEZNQCLSA-N 1 2 256.309 0.978 20 30 CCEDLO C#CCOc1ccccc1C[NH+]1CCN(CCO)CC1 ZINC000264732812 389350868 /nfs/dbraw/zinc/35/08/68/389350868.db2.gz DJYCOSJGOVIHRM-UHFFFAOYSA-N 1 2 274.364 0.809 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000332569846 389354816 /nfs/dbraw/zinc/35/48/16/389354816.db2.gz CQKNDYQAQBXFHH-GFCCVEGCSA-N 1 2 270.292 0.294 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000332569846 389354817 /nfs/dbraw/zinc/35/48/17/389354817.db2.gz CQKNDYQAQBXFHH-GFCCVEGCSA-N 1 2 270.292 0.294 20 30 CCEDLO N#C[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000332683492 389357531 /nfs/dbraw/zinc/35/75/31/389357531.db2.gz LGELVMIWKIUOKW-RYUDHWBXSA-N 1 2 289.339 0.694 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)N(C)C)CC2)C1=O ZINC000334324148 389465963 /nfs/dbraw/zinc/46/59/63/389465963.db2.gz AAJHITPSUOUPTI-GFCCVEGCSA-N 1 2 280.372 0.073 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412071918 389474615 /nfs/dbraw/zinc/47/46/15/389474615.db2.gz KUBNEMPNPOUVFT-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412071918 389474617 /nfs/dbraw/zinc/47/46/17/389474617.db2.gz KUBNEMPNPOUVFT-CHWSQXEVSA-N 1 2 268.357 0.269 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000334551999 389495091 /nfs/dbraw/zinc/49/50/91/389495091.db2.gz FYYIMIWXPRINDS-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2C(N)=O)c1 ZINC000271534745 389443818 /nfs/dbraw/zinc/44/38/18/389443818.db2.gz JAWUISOKYWAZRE-GFCCVEGCSA-N 1 2 261.350 0.961 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)c1 ZINC000271534745 389443819 /nfs/dbraw/zinc/44/38/19/389443819.db2.gz JAWUISOKYWAZRE-GFCCVEGCSA-N 1 2 261.350 0.961 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000373793528 389516517 /nfs/dbraw/zinc/51/65/17/389516517.db2.gz UNRXKGFBEVQGAK-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000373793528 389516521 /nfs/dbraw/zinc/51/65/21/389516521.db2.gz UNRXKGFBEVQGAK-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO Cn1c(C[N@H+](CCC#N)CC2CC2)cc(=O)n(C)c1=O ZINC000174698604 389528350 /nfs/dbraw/zinc/52/83/50/389528350.db2.gz DGIXNRDMPVETDK-UHFFFAOYSA-N 1 2 276.340 0.210 20 30 CCEDLO Cn1c(C[N@@H+](CCC#N)CC2CC2)cc(=O)n(C)c1=O ZINC000174698604 389528355 /nfs/dbraw/zinc/52/83/55/389528355.db2.gz DGIXNRDMPVETDK-UHFFFAOYSA-N 1 2 276.340 0.210 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)C(=O)C2(C)C)C1=O ZINC000281195548 389609896 /nfs/dbraw/zinc/60/98/96/389609896.db2.gz CDABWESTMMLFLT-LBPRGKRZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)C(=O)C2(C)C)C1=O ZINC000281195548 389609899 /nfs/dbraw/zinc/60/98/99/389609899.db2.gz CDABWESTMMLFLT-LBPRGKRZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)C)C1=O ZINC000281183990 389610295 /nfs/dbraw/zinc/61/02/95/389610295.db2.gz BAZWQURDLJKCCG-MNOVXSKESA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1=O ZINC000281183990 389610300 /nfs/dbraw/zinc/61/03/00/389610300.db2.gz BAZWQURDLJKCCG-MNOVXSKESA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C)C2)C1=O ZINC000281266190 389612082 /nfs/dbraw/zinc/61/20/82/389612082.db2.gz HTYKGAYLMCVCCH-KGLIPLIRSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C)C2)C1=O ZINC000281266190 389612083 /nfs/dbraw/zinc/61/20/83/389612083.db2.gz HTYKGAYLMCVCCH-KGLIPLIRSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374858727 389613923 /nfs/dbraw/zinc/61/39/23/389613923.db2.gz RDIILSUWNRFWSG-JTQLQIEISA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)OC)C1=O ZINC000281931961 389636536 /nfs/dbraw/zinc/63/65/36/389636536.db2.gz IAXFSUZESNDEAS-MNOVXSKESA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)OC)C1=O ZINC000281931961 389636538 /nfs/dbraw/zinc/63/65/38/389636538.db2.gz IAXFSUZESNDEAS-MNOVXSKESA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCCCS(=O)(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416612147 389760245 /nfs/dbraw/zinc/76/02/45/389760245.db2.gz PWFHGMZMOOLUQK-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)C#N ZINC000376188372 389730798 /nfs/dbraw/zinc/73/07/98/389730798.db2.gz PQCSKQPYEWOQPQ-VXGBXAGGSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)C1=O ZINC000352362110 389797566 /nfs/dbraw/zinc/79/75/66/389797566.db2.gz NMWPCGSEAUHMPD-ZFWWWQNUSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)C1=O ZINC000352362110 389797569 /nfs/dbraw/zinc/79/75/69/389797569.db2.gz NMWPCGSEAUHMPD-ZFWWWQNUSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000429260883 389747874 /nfs/dbraw/zinc/74/78/74/389747874.db2.gz DFDREVGSHWSFNM-LLVKDONJSA-N 1 2 288.413 0.434 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430537111 389805729 /nfs/dbraw/zinc/80/57/29/389805729.db2.gz GBHXRCNLYMVGBM-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430537111 389805732 /nfs/dbraw/zinc/80/57/32/389805732.db2.gz GBHXRCNLYMVGBM-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352469538 389816425 /nfs/dbraw/zinc/81/64/25/389816425.db2.gz YNJCRIXETRANPT-UHFFFAOYSA-N 1 2 299.346 0.772 20 30 CCEDLO C[N@H+](CCn1nc2ccccn2c1=O)CC(C)(C)C#N ZINC000433307985 389908068 /nfs/dbraw/zinc/90/80/68/389908068.db2.gz XCAAEDSEFMESRZ-UHFFFAOYSA-N 1 2 273.340 0.978 20 30 CCEDLO C[N@@H+](CCn1nc2ccccn2c1=O)CC(C)(C)C#N ZINC000433307985 389908071 /nfs/dbraw/zinc/90/80/71/389908071.db2.gz XCAAEDSEFMESRZ-UHFFFAOYSA-N 1 2 273.340 0.978 20 30 CCEDLO C[C@H](C#N)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447680838 389962344 /nfs/dbraw/zinc/96/23/44/389962344.db2.gz SKDCDFSOMANFHJ-SNVBAGLBSA-N 1 2 286.335 0.628 20 30 CCEDLO C[C@H](C#N)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447680838 389962347 /nfs/dbraw/zinc/96/23/47/389962347.db2.gz SKDCDFSOMANFHJ-SNVBAGLBSA-N 1 2 286.335 0.628 20 30 CCEDLO C=CCNC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434695039 389942107 /nfs/dbraw/zinc/94/21/07/389942107.db2.gz OVJNTHXMMRHRKP-ZDUSSCGKSA-N 1 2 283.416 0.720 20 30 CCEDLO C=CCNC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434695039 389942110 /nfs/dbraw/zinc/94/21/10/389942110.db2.gz OVJNTHXMMRHRKP-ZDUSSCGKSA-N 1 2 283.416 0.720 20 30 CCEDLO COc1ncc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000493152586 390119743 /nfs/dbraw/zinc/11/97/43/390119743.db2.gz KPHOTEQPIZMGJH-GJBLVYBDSA-N 1 2 289.339 0.458 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491429990 390113417 /nfs/dbraw/zinc/11/34/17/390113417.db2.gz WSTXMOIVNZEXSO-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491429990 390113418 /nfs/dbraw/zinc/11/34/18/390113418.db2.gz WSTXMOIVNZEXSO-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCO[C@@H]2C)c1C#N ZINC000538925299 390199886 /nfs/dbraw/zinc/19/98/86/390199886.db2.gz SFGWLFFWQJNZAU-NXEZZACHSA-N 1 2 291.355 0.219 20 30 CCEDLO COCCN1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000543717998 390290049 /nfs/dbraw/zinc/29/00/49/390290049.db2.gz PQGWNZBAIOYCJK-LLVKDONJSA-N 1 2 279.340 0.386 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000648236629 390346431 /nfs/dbraw/zinc/34/64/31/390346431.db2.gz WEJWCDSKOPAKBL-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000648236629 390346435 /nfs/dbraw/zinc/34/64/35/390346435.db2.gz WEJWCDSKOPAKBL-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000584537902 390353874 /nfs/dbraw/zinc/35/38/74/390353874.db2.gz ZTWWLZGICUSHST-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO N#CCCN1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000601262182 390374886 /nfs/dbraw/zinc/37/48/86/390374886.db2.gz XSUUSEDYJFNEKW-UHFFFAOYSA-N 1 2 266.736 0.748 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000645178938 390383602 /nfs/dbraw/zinc/38/36/02/390383602.db2.gz ZJXDHQQGKODZTH-VXGBXAGGSA-N 1 2 264.329 0.345 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000562100878 390488703 /nfs/dbraw/zinc/48/87/03/390488703.db2.gz VPAKEVUPQQXCSA-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000562100878 390488705 /nfs/dbraw/zinc/48/87/05/390488705.db2.gz VPAKEVUPQQXCSA-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC000562996270 390491781 /nfs/dbraw/zinc/49/17/81/390491781.db2.gz YMXZWPDOROIROD-NSHDSACASA-N 1 2 286.339 0.924 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)nn1 ZINC000562996270 390491787 /nfs/dbraw/zinc/49/17/87/390491787.db2.gz YMXZWPDOROIROD-NSHDSACASA-N 1 2 286.339 0.924 20 30 CCEDLO C=CCOC[C@@H](NCc1[nH+]ccn1CC)C(=O)OC ZINC000564815689 390496524 /nfs/dbraw/zinc/49/65/24/390496524.db2.gz XASRYRGSODAPPE-LLVKDONJSA-N 1 2 267.329 0.737 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000649180674 390510073 /nfs/dbraw/zinc/51/00/73/390510073.db2.gz KJWBTDWEYWUVCI-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000649184970 390514671 /nfs/dbraw/zinc/51/46/71/390514671.db2.gz UWMAYMGLYXXBLM-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000649188547 390516371 /nfs/dbraw/zinc/51/63/71/390516371.db2.gz MPUWXYFJCNHOFZ-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO Cc1ncccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516574550 390483655 /nfs/dbraw/zinc/48/36/55/390483655.db2.gz SERVMAYVVOQNPC-AWEZNQCLSA-N 1 2 260.341 0.893 20 30 CCEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000520589722 390583610 /nfs/dbraw/zinc/58/36/10/390583610.db2.gz FHOVPOIEXLYYJV-YGRLFVJLSA-N 1 2 283.372 0.924 20 30 CCEDLO N#CCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566554017 390628377 /nfs/dbraw/zinc/62/83/77/390628377.db2.gz HMHNPAPOBPMJIS-UHFFFAOYSA-N 1 2 271.280 0.693 20 30 CCEDLO C[C@H](CC(=O)N[C@](C)(C#N)CN(C)C)n1cc[nH+]c1 ZINC000566308502 390596650 /nfs/dbraw/zinc/59/66/50/390596650.db2.gz HQQGPHGOYRTPGX-DGCLKSJQSA-N 1 2 263.345 0.794 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000567232448 390681537 /nfs/dbraw/zinc/68/15/37/390681537.db2.gz XTMSMRWNKRHEQY-GFCCVEGCSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000567232448 390681539 /nfs/dbraw/zinc/68/15/39/390681539.db2.gz XTMSMRWNKRHEQY-GFCCVEGCSA-N 1 2 281.356 0.499 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000572699473 390797257 /nfs/dbraw/zinc/79/72/57/390797257.db2.gz WVVFQDVMCZQKLB-QWRGUYRKSA-N 1 2 295.364 0.233 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000572699473 390797259 /nfs/dbraw/zinc/79/72/59/390797259.db2.gz WVVFQDVMCZQKLB-QWRGUYRKSA-N 1 2 295.364 0.233 20 30 CCEDLO N#Cc1nccc(SCC[NH+]2CCOCC2)n1 ZINC000572780687 390803186 /nfs/dbraw/zinc/80/31/86/390803186.db2.gz RSHOWLIOLNYFBQ-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO N#C[C@@H]1C[N@@H+]([C@H]2COC[C@H]2O)C[C@H]1c1ccccc1 ZINC000578201080 390869928 /nfs/dbraw/zinc/86/99/28/390869928.db2.gz ARKLZBZMXCXEEM-CBBWQLFWSA-N 1 2 258.321 0.985 20 30 CCEDLO N#C[C@@H]1C[N@H+]([C@H]2COC[C@H]2O)C[C@H]1c1ccccc1 ZINC000578201080 390869931 /nfs/dbraw/zinc/86/99/31/390869931.db2.gz ARKLZBZMXCXEEM-CBBWQLFWSA-N 1 2 258.321 0.985 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000530519233 390876908 /nfs/dbraw/zinc/87/69/08/390876908.db2.gz GJCXGFOUEMTVGJ-UHFFFAOYSA-N 1 2 285.355 0.646 20 30 CCEDLO C[C@@H](CNC(=O)N[C@H]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000330341431 533364390 /nfs/dbraw/zinc/36/43/90/533364390.db2.gz ZFEDNAQXKSCRGR-AGIUHOORSA-N 1 2 285.388 0.636 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000331398620 533403193 /nfs/dbraw/zinc/40/31/93/533403193.db2.gz NGGACNAOUOWIPE-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000331398620 533403198 /nfs/dbraw/zinc/40/31/98/533403198.db2.gz NGGACNAOUOWIPE-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000332468128 533507515 /nfs/dbraw/zinc/50/75/15/533507515.db2.gz LIEXUMSNRCREGJ-GFCCVEGCSA-N 1 2 293.367 0.681 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000332468128 533507519 /nfs/dbraw/zinc/50/75/19/533507519.db2.gz LIEXUMSNRCREGJ-GFCCVEGCSA-N 1 2 293.367 0.681 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1C#N ZINC000191382319 130229212 /nfs/dbraw/zinc/22/92/12/130229212.db2.gz ZQBHWVPTSXFOCZ-LLVKDONJSA-N 1 2 282.369 0.020 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1C#N ZINC000191382319 130229214 /nfs/dbraw/zinc/22/92/14/130229214.db2.gz ZQBHWVPTSXFOCZ-LLVKDONJSA-N 1 2 282.369 0.020 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000268584279 132030471 /nfs/dbraw/zinc/03/04/71/132030471.db2.gz UMHVCEBMMWSUPU-OLZOCXBDSA-N 1 2 273.398 0.989 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000268584279 132030472 /nfs/dbraw/zinc/03/04/72/132030472.db2.gz UMHVCEBMMWSUPU-OLZOCXBDSA-N 1 2 273.398 0.989 20 30 CCEDLO Cc1[nH]nc(NC(=O)CCc2c[nH+]cn2C)c1C#N ZINC000357235108 144072197 /nfs/dbraw/zinc/07/21/97/144072197.db2.gz VELQEFHLUZFETN-UHFFFAOYSA-N 1 2 258.285 0.895 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000658615782 413179223 /nfs/dbraw/zinc/17/92/23/413179223.db2.gz YFLHGMSIJZFDKM-UHFFFAOYSA-N 1 2 293.323 0.738 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000658812037 413213033 /nfs/dbraw/zinc/21/30/33/413213033.db2.gz SWICZGKRBYGZCT-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329755981 286046637 /nfs/dbraw/zinc/04/66/37/286046637.db2.gz YKMGVACERLWRKV-UWVGGRQHSA-N 1 2 264.329 0.902 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329755981 286046639 /nfs/dbraw/zinc/04/66/39/286046639.db2.gz YKMGVACERLWRKV-UWVGGRQHSA-N 1 2 264.329 0.902 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000021012569 171288163 /nfs/dbraw/zinc/28/81/63/171288163.db2.gz FCDIDWSKRZMEOD-UHFFFAOYSA-N 1 2 279.365 0.635 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@](CO)(COC)C2)nn1 ZINC000653755414 412342341 /nfs/dbraw/zinc/34/23/41/412342341.db2.gz PIXZZGKLYHJADE-AWEZNQCLSA-N 1 2 280.372 0.685 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@](CO)(COC)C2)nn1 ZINC000653755414 412342343 /nfs/dbraw/zinc/34/23/43/412342343.db2.gz PIXZZGKLYHJADE-AWEZNQCLSA-N 1 2 280.372 0.685 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664606286 415435032 /nfs/dbraw/zinc/43/50/32/415435032.db2.gz UVLPZEACXKWQMR-SDDRHHMPSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000664606286 415435037 /nfs/dbraw/zinc/43/50/37/415435037.db2.gz UVLPZEACXKWQMR-SDDRHHMPSA-N 1 2 278.356 0.643 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000344395738 225059480 /nfs/dbraw/zinc/05/94/80/225059480.db2.gz VQTCRPWYABSRKR-GFCCVEGCSA-N 1 2 298.362 0.744 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347339912 226119182 /nfs/dbraw/zinc/11/91/82/226119182.db2.gz CSOYNQKIKSSASV-WCQYABFASA-N 1 2 271.336 0.543 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347339912 226119187 /nfs/dbraw/zinc/11/91/87/226119187.db2.gz CSOYNQKIKSSASV-WCQYABFASA-N 1 2 271.336 0.543 20 30 CCEDLO Cn1cc(NC(=O)N2CC[NH+](CCO)CC2)c(C2CC2)n1 ZINC000329832830 227962530 /nfs/dbraw/zinc/96/25/30/227962530.db2.gz UCBCOVSKLDWAER-UHFFFAOYSA-N 1 2 293.371 0.453 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N[C@H]1[C@@H]2COC[C@@H]21)[NH+]1CCOCC1 ZINC000329996655 228011141 /nfs/dbraw/zinc/01/11/41/228011141.db2.gz PFSPQCWBKAUDNC-OBPIAQAESA-N 1 2 283.372 0.244 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000331494694 228108011 /nfs/dbraw/zinc/10/80/11/228108011.db2.gz RMJHRQLGJSDMMD-ZDUSSCGKSA-N 1 2 292.383 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000331494694 228108012 /nfs/dbraw/zinc/10/80/12/228108012.db2.gz RMJHRQLGJSDMMD-ZDUSSCGKSA-N 1 2 292.383 0.303 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329781166 545026110 /nfs/dbraw/zinc/02/61/10/545026110.db2.gz SMRDCPKGPCPXLY-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329781166 545026111 /nfs/dbraw/zinc/02/61/11/545026111.db2.gz SMRDCPKGPCPXLY-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CC[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000116941704 260008791 /nfs/dbraw/zinc/00/87/91/260008791.db2.gz FXJZWHQPDKARRG-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)C1=O ZINC000330391721 260027544 /nfs/dbraw/zinc/02/75/44/260027544.db2.gz PIIZTSKJGHOXFB-WOPDTQHZSA-N 1 2 288.413 0.527 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)C1=O ZINC000330391721 260027545 /nfs/dbraw/zinc/02/75/45/260027545.db2.gz PIIZTSKJGHOXFB-WOPDTQHZSA-N 1 2 288.413 0.527 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000188285402 260077663 /nfs/dbraw/zinc/07/76/63/260077663.db2.gz DMOJSEBCEGZNGK-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO C=CCCC[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000117873119 260117011 /nfs/dbraw/zinc/11/70/11/260117011.db2.gz DYRPOSBMEMQBIM-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCCC[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000117873119 260117012 /nfs/dbraw/zinc/11/70/12/260117012.db2.gz DYRPOSBMEMQBIM-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000048610503 260201464 /nfs/dbraw/zinc/20/14/64/260201464.db2.gz VUJHHBSGDHNZIY-UHFFFAOYSA-N 1 2 265.313 0.858 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCOCC1 ZINC000363436342 260258556 /nfs/dbraw/zinc/25/85/56/260258556.db2.gz IUAWRKAMHNQBMN-CYBMUJFWSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCOCC1 ZINC000363436342 260258557 /nfs/dbraw/zinc/25/85/57/260258557.db2.gz IUAWRKAMHNQBMN-CYBMUJFWSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000448381129 261135295 /nfs/dbraw/zinc/13/52/95/261135295.db2.gz IQDNXKJSOTZWRY-UHFFFAOYSA-N 1 2 255.362 0.926 20 30 CCEDLO CC[C@@H](O[NH+]=C(N)Cc1ccc(OC)cc1)C(N)=O ZINC000159399011 261185676 /nfs/dbraw/zinc/18/56/76/261185676.db2.gz OWBAESNRDUXRKY-LLVKDONJSA-N 1 2 265.313 0.790 20 30 CCEDLO CC[C@H](O[NH+]=C(N)Cc1csc(C)n1)C(N)=O ZINC000159398036 261185736 /nfs/dbraw/zinc/18/57/36/261185736.db2.gz JHZZJSWYAPVSFF-QMMMGPOBSA-N 1 2 256.331 0.547 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000490739831 261197763 /nfs/dbraw/zinc/19/77/63/261197763.db2.gz LFZOGTWWSYBSJF-UHFFFAOYSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2scnc2C)CC1 ZINC000491180114 261362410 /nfs/dbraw/zinc/36/24/10/261362410.db2.gz JVUPQADZOBKDAC-UHFFFAOYSA-N 1 2 292.408 0.319 20 30 CCEDLO COC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000007016643 261375551 /nfs/dbraw/zinc/37/55/51/261375551.db2.gz DDPFGIVMNYPSGM-OAHLLOKOSA-N 1 2 293.367 0.680 20 30 CCEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CC1(C#N)CC1 ZINC000166082969 261383079 /nfs/dbraw/zinc/38/30/79/261383079.db2.gz HFIVALRHLPETJG-UHFFFAOYSA-N 1 2 282.369 0.839 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491821785 262104236 /nfs/dbraw/zinc/10/42/36/262104236.db2.gz YSWZJQBSMCVSQC-CHWSQXEVSA-N 1 2 267.373 0.664 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337536752 262456798 /nfs/dbraw/zinc/45/67/98/262456798.db2.gz YKIRYTUACAMGFF-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337536752 262456800 /nfs/dbraw/zinc/45/68/00/262456800.db2.gz YKIRYTUACAMGFF-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO Cc1nnc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)n1C ZINC000273407652 263016578 /nfs/dbraw/zinc/01/65/78/263016578.db2.gz BQCGWLXOWPLDEC-SECBINFHSA-N 1 2 269.349 0.973 20 30 CCEDLO Cc1nc(N2CCN(C(=O)NCCCC#N)CC2)cc[nH+]1 ZINC000274148198 263021578 /nfs/dbraw/zinc/02/15/78/263021578.db2.gz FNOFMMXNGPRGLJ-UHFFFAOYSA-N 1 2 288.355 0.920 20 30 CCEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000279244693 263054197 /nfs/dbraw/zinc/05/41/97/263054197.db2.gz KNEAPRFFYNDDQR-UHFFFAOYSA-N 1 2 297.384 0.410 20 30 CCEDLO C=C(Cl)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000281025975 263065815 /nfs/dbraw/zinc/06/58/15/263065815.db2.gz URUXICJVSNGOEN-JTQLQIEISA-N 1 2 256.737 0.892 20 30 CCEDLO COc1ccc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)cc1 ZINC000282224524 263075201 /nfs/dbraw/zinc/07/52/01/263075201.db2.gz KLAXAWDCXMAHLU-JTQLQIEISA-N 1 2 265.269 0.441 20 30 CCEDLO CO/N=C/C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000282913342 263079635 /nfs/dbraw/zinc/07/96/35/263079635.db2.gz ICIZOBORHMBQLO-MHWRWJLKSA-N 1 2 262.313 0.930 20 30 CCEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284405924 263086834 /nfs/dbraw/zinc/08/68/34/263086834.db2.gz NFUABMBJRBNONX-NSHDSACASA-N 1 2 269.345 0.879 20 30 CCEDLO C=CC[N@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000290046991 263114206 /nfs/dbraw/zinc/11/42/06/263114206.db2.gz UYIQIVAHEDRICJ-UHFFFAOYSA-N 1 2 277.386 0.861 20 30 CCEDLO C=CC[N@@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000290046991 263114207 /nfs/dbraw/zinc/11/42/07/263114207.db2.gz UYIQIVAHEDRICJ-UHFFFAOYSA-N 1 2 277.386 0.861 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000299358952 263240261 /nfs/dbraw/zinc/24/02/61/263240261.db2.gz XVSRFLMOLNEQBQ-UHFFFAOYSA-N 1 2 251.355 0.411 20 30 CCEDLO CN(CC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000299641912 263250798 /nfs/dbraw/zinc/25/07/98/263250798.db2.gz KSEKHZHRYMDVMU-UHFFFAOYSA-N 1 2 287.367 0.576 20 30 CCEDLO COCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000041789796 263288516 /nfs/dbraw/zinc/28/85/16/263288516.db2.gz ANDRGDFITVKPRG-UHFFFAOYSA-N 1 2 257.359 0.034 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341705948 263347180 /nfs/dbraw/zinc/34/71/80/263347180.db2.gz LEKGMEPDFMSRKI-AJNGGQMLSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341705948 263347182 /nfs/dbraw/zinc/34/71/82/263347182.db2.gz LEKGMEPDFMSRKI-AJNGGQMLSA-N 1 2 294.395 0.899 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000330632447 264000230 /nfs/dbraw/zinc/00/02/30/264000230.db2.gz ICUWUCJTHJCBCP-WDEREUQCSA-N 1 2 271.361 0.926 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000330632447 264000231 /nfs/dbraw/zinc/00/02/31/264000231.db2.gz ICUWUCJTHJCBCP-WDEREUQCSA-N 1 2 271.361 0.926 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960661225 649857031 /nfs/dbraw/zinc/85/70/31/649857031.db2.gz YZUDNSPECOWXOB-CIQGVGRVSA-N 1 2 285.351 0.015 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000330672150 264013824 /nfs/dbraw/zinc/01/38/24/264013824.db2.gz XGWIHBJJSCAPRH-SECBINFHSA-N 1 2 275.374 0.100 20 30 CCEDLO CCOCCNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330775755 264035111 /nfs/dbraw/zinc/03/51/11/264035111.db2.gz HZAIADIMWMUIRU-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCCC#N)C2)CC1 ZINC000330900265 264072562 /nfs/dbraw/zinc/07/25/62/264072562.db2.gz QJTJQQWSMUFUKM-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO CC(C)(CNC(=O)CCCC#N)[NH+]1CCOCC1 ZINC000330891717 264076974 /nfs/dbraw/zinc/07/69/74/264076974.db2.gz KFCJPDWMGITVGL-UHFFFAOYSA-N 1 2 253.346 0.907 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000330894657 264078011 /nfs/dbraw/zinc/07/80/11/264078011.db2.gz MEXRWHKOKGETQW-SECBINFHSA-N 1 2 294.359 0.143 20 30 CCEDLO C[C@H](CNC(=O)N1CC[C@@H](CCO)C1)[NH+]1CCOCC1 ZINC000330935388 264080486 /nfs/dbraw/zinc/08/04/86/264080486.db2.gz MZWVTVPQBUXIRW-OLZOCXBDSA-N 1 2 285.388 0.325 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000330946447 264084719 /nfs/dbraw/zinc/08/47/19/264084719.db2.gz LANMCBPNOLBPSJ-LLVKDONJSA-N 1 2 291.417 0.407 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000330946447 264084722 /nfs/dbraw/zinc/08/47/22/264084722.db2.gz LANMCBPNOLBPSJ-LLVKDONJSA-N 1 2 291.417 0.407 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](CCO)C1 ZINC000330932486 264096808 /nfs/dbraw/zinc/09/68/08/264096808.db2.gz ACLDMZLZGSFDGJ-ZDUSSCGKSA-N 1 2 299.415 0.716 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](CCO)C1 ZINC000330932486 264096811 /nfs/dbraw/zinc/09/68/11/264096811.db2.gz ACLDMZLZGSFDGJ-ZDUSSCGKSA-N 1 2 299.415 0.716 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000330933685 264097221 /nfs/dbraw/zinc/09/72/21/264097221.db2.gz FBQYGDPRYXEPMI-QMMMGPOBSA-N 1 2 269.267 0.773 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000330933685 264097223 /nfs/dbraw/zinc/09/72/23/264097223.db2.gz FBQYGDPRYXEPMI-QMMMGPOBSA-N 1 2 269.267 0.773 20 30 CCEDLO COCCO[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000331218995 264165751 /nfs/dbraw/zinc/16/57/51/264165751.db2.gz HYKKMEQFBRIJIV-NSHDSACASA-N 1 2 282.344 0.571 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@@H+]1CCO ZINC000188784519 264242429 /nfs/dbraw/zinc/24/24/29/264242429.db2.gz GEHFTZUGSQMWSK-ZDUSSCGKSA-N 1 2 279.384 0.985 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1CCO ZINC000188784519 264242430 /nfs/dbraw/zinc/24/24/30/264242430.db2.gz GEHFTZUGSQMWSK-ZDUSSCGKSA-N 1 2 279.384 0.985 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000070921264 264243248 /nfs/dbraw/zinc/24/32/48/264243248.db2.gz ZOPTWQQGDZAVOO-BETUJISGSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000070921264 264243250 /nfs/dbraw/zinc/24/32/50/264243250.db2.gz ZOPTWQQGDZAVOO-BETUJISGSA-N 1 2 278.356 0.752 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000076412195 264338849 /nfs/dbraw/zinc/33/88/49/264338849.db2.gz YXPGFAZENAQSNL-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(C)C)C1=O ZINC000282101327 264495478 /nfs/dbraw/zinc/49/54/78/264495478.db2.gz WBTCAVHJKVDLSZ-LLVKDONJSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(C)C)C1=O ZINC000282101327 264495481 /nfs/dbraw/zinc/49/54/81/264495481.db2.gz WBTCAVHJKVDLSZ-LLVKDONJSA-N 1 2 253.346 0.230 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnc2ccccn21 ZINC000525886716 265033404 /nfs/dbraw/zinc/03/34/04/265033404.db2.gz VAUMTHKTKGJIQJ-NSHDSACASA-N 1 2 298.350 0.942 20 30 CCEDLO CCN1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000519156695 265336768 /nfs/dbraw/zinc/33/67/68/265336768.db2.gz FNYBNWKZLXEQHK-UHFFFAOYSA-N 1 2 298.350 0.655 20 30 CCEDLO CCN1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000519156695 265336769 /nfs/dbraw/zinc/33/67/69/265336769.db2.gz FNYBNWKZLXEQHK-UHFFFAOYSA-N 1 2 298.350 0.655 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356478690 266122474 /nfs/dbraw/zinc/12/24/74/266122474.db2.gz QSKBOCANXALDFB-UHFFFAOYSA-N 1 2 263.345 0.277 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356478690 266122476 /nfs/dbraw/zinc/12/24/76/266122476.db2.gz QSKBOCANXALDFB-UHFFFAOYSA-N 1 2 263.345 0.277 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357680845 266346196 /nfs/dbraw/zinc/34/61/96/266346196.db2.gz XRCYYUJPXACQST-KGLIPLIRSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357680845 266346198 /nfs/dbraw/zinc/34/61/98/266346198.db2.gz XRCYYUJPXACQST-KGLIPLIRSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000357757601 266355459 /nfs/dbraw/zinc/35/54/59/266355459.db2.gz SFSWSWFMLHODPY-UHFFFAOYSA-N 1 2 278.356 0.267 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000359233267 266553956 /nfs/dbraw/zinc/55/39/56/266553956.db2.gz QGJNTVSIHWRJNG-WDEREUQCSA-N 1 2 264.329 0.607 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OC ZINC000361112307 266786239 /nfs/dbraw/zinc/78/62/39/266786239.db2.gz XZZHUTFBLURNST-WOPDTQHZSA-N 1 2 257.330 0.888 20 30 CCEDLO C#CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367501127 267095081 /nfs/dbraw/zinc/09/50/81/267095081.db2.gz VJQFRSGLGUVUFF-VXGBXAGGSA-N 1 2 251.330 0.124 20 30 CCEDLO Cc1cn2c([nH+]1)CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000369997067 267281626 /nfs/dbraw/zinc/28/16/26/267281626.db2.gz OAMKZVFGOWEFMW-HNNXBMFYSA-N 1 2 287.367 0.816 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(C#N)cc1 ZINC000519695112 267282016 /nfs/dbraw/zinc/28/20/16/267282016.db2.gz HCLZFIYLVLCMQR-HNNXBMFYSA-N 1 2 286.335 0.897 20 30 CCEDLO COC[C@@](C)([NH2+]CCCSCC#N)C(=O)OC ZINC000121252393 267588225 /nfs/dbraw/zinc/58/82/25/267588225.db2.gz JSWZRLWFTLFSBR-LLVKDONJSA-N 1 2 260.359 0.801 20 30 CCEDLO C=C(C)CC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000351844829 277765481 /nfs/dbraw/zinc/76/54/81/277765481.db2.gz NGHFFMXJBGUQPI-CYBMUJFWSA-N 1 2 272.414 0.757 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334970149 277835023 /nfs/dbraw/zinc/83/50/23/277835023.db2.gz QWLMXQAUPVHLNJ-SNVBAGLBSA-N 1 2 250.339 0.526 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334970148 277835064 /nfs/dbraw/zinc/83/50/64/277835064.db2.gz QWLMXQAUPVHLNJ-JTQLQIEISA-N 1 2 250.339 0.526 20 30 CCEDLO Cc1cc(C#N)nc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286347247 278630355 /nfs/dbraw/zinc/63/03/55/278630355.db2.gz MHUZINUXCVHCOY-JSGCOSHPSA-N 1 2 287.367 0.956 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330176182 288336281 /nfs/dbraw/zinc/33/62/81/288336281.db2.gz CBCKTGRHWYERIQ-GHMZBOCLSA-N 1 2 264.329 0.833 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCC3)C[C@H]21 ZINC000329978983 290115295 /nfs/dbraw/zinc/11/52/95/290115295.db2.gz IQXJYUQGAOURBQ-NEPJUHHUSA-N 1 2 263.341 0.612 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCC3)C[C@H]21 ZINC000329978983 290115297 /nfs/dbraw/zinc/11/52/97/290115297.db2.gz IQXJYUQGAOURBQ-NEPJUHHUSA-N 1 2 263.341 0.612 20 30 CCEDLO C[C@@H]1C[C@@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329597560 297246795 /nfs/dbraw/zinc/24/67/95/297246795.db2.gz IZKVCRSQOHWKHG-ZOBORPQBSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1C[C@@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329597560 297246797 /nfs/dbraw/zinc/24/67/97/297246797.db2.gz IZKVCRSQOHWKHG-ZOBORPQBSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570899362 327631948 /nfs/dbraw/zinc/63/19/48/327631948.db2.gz XIRKGDFZNUGQBF-OUCADQQQSA-N 1 2 283.372 0.531 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000024631996 329000908 /nfs/dbraw/zinc/00/09/08/329000908.db2.gz MOKGPUKVONNTKA-SNVBAGLBSA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000024631996 329000910 /nfs/dbraw/zinc/00/09/10/329000910.db2.gz MOKGPUKVONNTKA-SNVBAGLBSA-N 1 2 279.344 0.252 20 30 CCEDLO CCCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000563220430 327980214 /nfs/dbraw/zinc/98/02/14/327980214.db2.gz NWHVRLFJMROTET-CYBMUJFWSA-N 1 2 263.345 0.867 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000571169406 328090310 /nfs/dbraw/zinc/09/03/10/328090310.db2.gz JXERMEHIDSHAMR-DCQANWLSSA-N 1 2 251.330 0.514 20 30 CCEDLO CCOc1cccc(/C=[NH+]/CCN2CCNC(=O)C2)c1O ZINC000272661917 328200545 /nfs/dbraw/zinc/20/05/45/328200545.db2.gz SSKZIBFBHDZKLX-MHWRWJLKSA-N 1 2 291.351 0.642 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CCOCC2)C1=O ZINC000531950133 328327557 /nfs/dbraw/zinc/32/75/57/328327557.db2.gz XCALGZGFVVLKCP-CYBMUJFWSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CCOCC2)C1=O ZINC000531950133 328327558 /nfs/dbraw/zinc/32/75/58/328327558.db2.gz XCALGZGFVVLKCP-CYBMUJFWSA-N 1 2 295.383 0.000 20 30 CCEDLO O=C(NCCO)NCCc1cn2c([nH+]1)CCCC2 ZINC000330402170 328461088 /nfs/dbraw/zinc/46/10/88/328461088.db2.gz ORFQOMCCISITRP-UHFFFAOYSA-N 1 2 252.318 0.258 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCCC(=O)N1 ZINC000563715706 328492276 /nfs/dbraw/zinc/49/22/76/328492276.db2.gz LVKPFAWBOJCZTM-MFKMUULPSA-N 1 2 266.345 0.005 20 30 CCEDLO C[C@H](O)C[N@@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000451839907 331044343 /nfs/dbraw/zinc/04/43/43/331044343.db2.gz SBYGEWXGRHUVCW-JTQLQIEISA-N 1 2 277.315 0.696 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557661876 327020017 /nfs/dbraw/zinc/02/00/17/327020017.db2.gz SVQCZONAKXNPCA-JTQLQIEISA-N 1 2 285.307 0.891 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2ccncc2C#N)CCO1 ZINC000553566153 327089976 /nfs/dbraw/zinc/08/99/76/327089976.db2.gz XUDSVHMWOLSZKE-CYBMUJFWSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2ccncc2C#N)CCO1 ZINC000553566153 327089977 /nfs/dbraw/zinc/08/99/77/327089977.db2.gz XUDSVHMWOLSZKE-CYBMUJFWSA-N 1 2 260.341 0.898 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566739493 327452399 /nfs/dbraw/zinc/45/23/99/327452399.db2.gz FZNXUFNRYAVUKE-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000160412381 327608436 /nfs/dbraw/zinc/60/84/36/327608436.db2.gz ZBIIPTUMEVZATB-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO CC[C@H](CC#N)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356086782 328860448 /nfs/dbraw/zinc/86/04/48/328860448.db2.gz ZNQRRBMNKRYEMA-LLVKDONJSA-N 1 2 253.346 0.906 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378106538 329040241 /nfs/dbraw/zinc/04/02/41/329040241.db2.gz ZYZHMQJVWBCLIS-SNVBAGLBSA-N 1 2 278.381 0.933 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378106538 329040243 /nfs/dbraw/zinc/04/02/43/329040243.db2.gz ZYZHMQJVWBCLIS-SNVBAGLBSA-N 1 2 278.381 0.933 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC(C)(C)O1 ZINC000582670269 329122679 /nfs/dbraw/zinc/12/26/79/329122679.db2.gz SWYVEDIWRFCLRA-ZWNOBZJWSA-N 1 2 253.346 0.904 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178005710 329191435 /nfs/dbraw/zinc/19/14/35/329191435.db2.gz YSWZTZWNPOKISC-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178005710 329191436 /nfs/dbraw/zinc/19/14/36/329191436.db2.gz YSWZTZWNPOKISC-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO CO[C@H](C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000182210390 329240877 /nfs/dbraw/zinc/24/08/77/329240877.db2.gz RYSZLSFKAGKSAE-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO CO[C@H](C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000182210390 329240879 /nfs/dbraw/zinc/24/08/79/329240879.db2.gz RYSZLSFKAGKSAE-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO CO[C@H](C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000182210390 329240881 /nfs/dbraw/zinc/24/08/81/329240881.db2.gz RYSZLSFKAGKSAE-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189387830 329380653 /nfs/dbraw/zinc/38/06/53/329380653.db2.gz CJJPEASWKXHBNI-SDDRHHMPSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189387830 329380654 /nfs/dbraw/zinc/38/06/54/329380654.db2.gz CJJPEASWKXHBNI-SDDRHHMPSA-N 1 2 256.346 0.413 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000079954619 330072239 /nfs/dbraw/zinc/07/22/39/330072239.db2.gz ASFRLZSPJCEQPM-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000079954619 330072241 /nfs/dbraw/zinc/07/22/41/330072241.db2.gz ASFRLZSPJCEQPM-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000080257750 330115250 /nfs/dbraw/zinc/11/52/50/330115250.db2.gz UYNDDUIWPVAOJT-CQSZACIVSA-N 1 2 283.416 0.721 20 30 CCEDLO C[N@H+](CCN1CCCC1=O)CC(=O)NC1(C#N)CCC1 ZINC000527127936 330224585 /nfs/dbraw/zinc/22/45/85/330224585.db2.gz CIKHQZVMRYQFID-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)NC1(C#N)CCC1 ZINC000527127936 330224587 /nfs/dbraw/zinc/22/45/87/330224587.db2.gz CIKHQZVMRYQFID-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000424587021 330390918 /nfs/dbraw/zinc/39/09/18/330390918.db2.gz SVQIDBARRPDPOR-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000514819242 330465115 /nfs/dbraw/zinc/46/51/15/330465115.db2.gz SQAZLGBJNDWHES-UHFFFAOYSA-N 1 2 282.369 0.923 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H](O)C1CCC1 ZINC000449818515 330951316 /nfs/dbraw/zinc/95/13/16/330951316.db2.gz MEMKZWPGOXSWQM-CQSZACIVSA-N 1 2 295.383 0.222 20 30 CCEDLO C[C@H](O)C[N@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000451839907 331044342 /nfs/dbraw/zinc/04/43/42/331044342.db2.gz SBYGEWXGRHUVCW-JTQLQIEISA-N 1 2 277.315 0.696 20 30 CCEDLO NC(=O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000452094261 331053846 /nfs/dbraw/zinc/05/38/46/331053846.db2.gz ZBEOUOYJQQAGQI-CQSZACIVSA-N 1 2 258.321 0.614 20 30 CCEDLO NC(=O)C[C@@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000452094261 331053847 /nfs/dbraw/zinc/05/38/47/331053847.db2.gz ZBEOUOYJQQAGQI-CQSZACIVSA-N 1 2 258.321 0.614 20 30 CCEDLO NC(=O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000452093001 331053862 /nfs/dbraw/zinc/05/38/62/331053862.db2.gz XKICGMKANLEFMF-CQSZACIVSA-N 1 2 276.311 0.753 20 30 CCEDLO NC(=O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000452093001 331053863 /nfs/dbraw/zinc/05/38/63/331053863.db2.gz XKICGMKANLEFMF-CQSZACIVSA-N 1 2 276.311 0.753 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](CCOCC)CC1 ZINC000489291481 332045668 /nfs/dbraw/zinc/04/56/68/332045668.db2.gz MASOXMHMBFHGMC-UHFFFAOYSA-N 1 2 290.429 0.937 20 30 CCEDLO C#CC[N@@H+](CCC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000490739547 332110261 /nfs/dbraw/zinc/11/02/61/332110261.db2.gz IZIKXZZSTGXQRZ-GFCCVEGCSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000490739547 332110262 /nfs/dbraw/zinc/11/02/62/332110262.db2.gz IZIKXZZSTGXQRZ-GFCCVEGCSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H]2CCCOC2)CC1 ZINC000490936272 332130936 /nfs/dbraw/zinc/13/09/36/332130936.db2.gz QATIYTQYRHIBLU-ZDUSSCGKSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000491387988 332202809 /nfs/dbraw/zinc/20/28/09/332202809.db2.gz ZRIDSKDRYWEQFN-UHFFFAOYSA-N 1 2 261.329 0.075 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000491426652 332209291 /nfs/dbraw/zinc/20/92/91/332209291.db2.gz HEDPINLHXJAIMB-ZDUSSCGKSA-N 1 2 288.351 0.691 20 30 CCEDLO C#CC[N@@H+](CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)C1CC1 ZINC000491438867 332211457 /nfs/dbraw/zinc/21/14/57/332211457.db2.gz GJTOMMSEAMNPCX-JTQLQIEISA-N 1 2 291.351 0.603 20 30 CCEDLO C#CC[N@H+](CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)C1CC1 ZINC000491438867 332211458 /nfs/dbraw/zinc/21/14/58/332211458.db2.gz GJTOMMSEAMNPCX-JTQLQIEISA-N 1 2 291.351 0.603 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCCCC1 ZINC000491462027 332215860 /nfs/dbraw/zinc/21/58/60/332215860.db2.gz GJSOQRGUVQIPQX-ZDUSSCGKSA-N 1 2 250.342 0.723 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000491462027 332215861 /nfs/dbraw/zinc/21/58/61/332215861.db2.gz GJSOQRGUVQIPQX-ZDUSSCGKSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cnn(C(C)C)c2)CC1 ZINC000491484674 332219909 /nfs/dbraw/zinc/21/99/09/332219909.db2.gz KKYOBBVWILQLSQ-UHFFFAOYSA-N 1 2 290.367 0.620 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000491538207 332232963 /nfs/dbraw/zinc/23/29/63/332232963.db2.gz XKNBOTZKPLDMBK-KGLIPLIRSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000491538207 332232964 /nfs/dbraw/zinc/23/29/64/332232964.db2.gz XKNBOTZKPLDMBK-KGLIPLIRSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CC[N@@H+](CC1(CC(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491554204 332236552 /nfs/dbraw/zinc/23/65/52/332236552.db2.gz HDZZBHIKAQWFJR-GFCCVEGCSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@H+](CC1(CC(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491554204 332236553 /nfs/dbraw/zinc/23/65/53/332236553.db2.gz HDZZBHIKAQWFJR-GFCCVEGCSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000491665193 332273967 /nfs/dbraw/zinc/27/39/67/332273967.db2.gz UHQWSUZUWKKCBU-OCCSQVGLSA-N 1 2 296.367 0.074 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000491696045 332291544 /nfs/dbraw/zinc/29/15/44/332291544.db2.gz ILJMOPDJAFUTMA-WCQYABFASA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000491696045 332291546 /nfs/dbraw/zinc/29/15/46/332291546.db2.gz ILJMOPDJAFUTMA-WCQYABFASA-N 1 2 268.382 0.332 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC(F)(F)CC2=O)CC1 ZINC000491697464 332292542 /nfs/dbraw/zinc/29/25/42/332292542.db2.gz REHYEGARLCVBEM-UHFFFAOYSA-N 1 2 257.284 0.062 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)CC)CC1 ZINC000491765200 332333722 /nfs/dbraw/zinc/33/37/22/332333722.db2.gz DYENQVIGNJCOOH-ZDUSSCGKSA-N 1 2 290.367 0.104 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](C)OC)n1 ZINC000491777474 332342914 /nfs/dbraw/zinc/34/29/14/332342914.db2.gz XHLCUNARPIDBEM-ZDUSSCGKSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](C)OC)n1 ZINC000491777474 332342916 /nfs/dbraw/zinc/34/29/16/332342916.db2.gz XHLCUNARPIDBEM-ZDUSSCGKSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NC1CCCC1 ZINC000491793791 332353873 /nfs/dbraw/zinc/35/38/73/332353873.db2.gz NHRSPVOAUTXYNT-UHFFFAOYSA-N 1 2 275.352 0.713 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NC1CCCC1 ZINC000491793791 332353874 /nfs/dbraw/zinc/35/38/74/332353874.db2.gz NHRSPVOAUTXYNT-UHFFFAOYSA-N 1 2 275.352 0.713 20 30 CCEDLO COC(=O)N(C)CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496549965 332552937 /nfs/dbraw/zinc/55/29/37/332552937.db2.gz NMSOPDUQEMXWPV-ZDUSSCGKSA-N 1 2 284.360 0.425 20 30 CCEDLO C[C@](C#N)(NC(=O)CSCC[NH+]1CCOCC1)C1CC1 ZINC000127398351 333628039 /nfs/dbraw/zinc/62/80/39/333628039.db2.gz PMDMPKKTKRMRNK-CQSZACIVSA-N 1 2 297.424 0.860 20 30 CCEDLO N#Cc1cncnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000576154392 335161392 /nfs/dbraw/zinc/16/13/92/335161392.db2.gz OLYTZICTNWUGSY-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000548085154 334138941 /nfs/dbraw/zinc/13/89/41/334138941.db2.gz SGYCSXMKLHAGME-UWVGGRQHSA-N 1 2 260.297 0.581 20 30 CCEDLO C[C@H](C#N)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248463671 334302977 /nfs/dbraw/zinc/30/29/77/334302977.db2.gz YZVUVPLBBDAFRR-WOPDTQHZSA-N 1 2 268.361 0.554 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249542251 334336090 /nfs/dbraw/zinc/33/60/90/334336090.db2.gz FHGSGNAIYBCGBR-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249542251 334336092 /nfs/dbraw/zinc/33/60/92/334336092.db2.gz FHGSGNAIYBCGBR-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000249728043 334339529 /nfs/dbraw/zinc/33/95/29/334339529.db2.gz REVPYNHFXHJENW-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000249728043 334339530 /nfs/dbraw/zinc/33/95/30/334339530.db2.gz REVPYNHFXHJENW-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2cscn2)CC1 ZINC000566922739 334669619 /nfs/dbraw/zinc/66/96/19/334669619.db2.gz BSMWQRKMXFLCNR-UHFFFAOYSA-N 1 2 264.354 0.743 20 30 CCEDLO C[C@@H](OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1nccn1C ZINC000568518372 334828375 /nfs/dbraw/zinc/82/83/75/334828375.db2.gz BJBWPVSQAYHPGW-BXUZGUMPSA-N 1 2 293.371 0.458 20 30 CCEDLO C=CCCCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000448380799 545096354 /nfs/dbraw/zinc/09/63/54/545096354.db2.gz GXUPUDPWURKLAH-UHFFFAOYSA-N 1 2 285.388 0.289 20 30 CCEDLO C[C@@H]1N(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCOC1(C)C ZINC000330095085 534088895 /nfs/dbraw/zinc/08/88/95/534088895.db2.gz UVZWQGNMAFQXEG-RYUDHWBXSA-N 1 2 285.388 0.730 20 30 CCEDLO C[C@@H]1N(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCOC1(C)C ZINC000330095085 534088898 /nfs/dbraw/zinc/08/88/98/534088898.db2.gz UVZWQGNMAFQXEG-RYUDHWBXSA-N 1 2 285.388 0.730 20 30 CCEDLO Cn1nnc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000330301207 534326113 /nfs/dbraw/zinc/32/61/13/534326113.db2.gz IXRHSZUBIGLXGG-SECBINFHSA-N 1 2 290.331 0.574 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000184047149 521766137 /nfs/dbraw/zinc/76/61/37/521766137.db2.gz LVEGXWLQBBTANS-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000184047149 521766144 /nfs/dbraw/zinc/76/61/44/521766144.db2.gz LVEGXWLQBBTANS-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000353282767 534674068 /nfs/dbraw/zinc/67/40/68/534674068.db2.gz LIGKPCDFHIZTGZ-UHFFFAOYSA-N 1 2 290.342 0.978 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000353282767 534674071 /nfs/dbraw/zinc/67/40/71/534674071.db2.gz LIGKPCDFHIZTGZ-UHFFFAOYSA-N 1 2 290.342 0.978 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000182471670 524086440 /nfs/dbraw/zinc/08/64/40/524086440.db2.gz HQAROJXQKNZANU-NSHDSACASA-N 1 2 265.338 0.567 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000182471670 524086446 /nfs/dbraw/zinc/08/64/46/524086446.db2.gz HQAROJXQKNZANU-NSHDSACASA-N 1 2 265.338 0.567 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000347898717 526566660 /nfs/dbraw/zinc/56/66/60/526566660.db2.gz ZBUNWQFGUGVCQJ-UHFFFAOYSA-N 1 2 298.346 0.963 20 30 CCEDLO C=C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000336593570 526895146 /nfs/dbraw/zinc/89/51/46/526895146.db2.gz CMJGESBMPAWLMY-CYBMUJFWSA-N 1 2 251.374 0.801 20 30 CCEDLO C=C[C@@H](O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055090 545162544 /nfs/dbraw/zinc/16/25/44/545162544.db2.gz RBXZJYOGWSSXSW-MRVPVSSYSA-N 1 2 277.246 0.951 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000668536636 545180819 /nfs/dbraw/zinc/18/08/19/545180819.db2.gz WIHFYZXULBYWHY-LLVKDONJSA-N 1 2 264.329 0.539 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425247035 528375173 /nfs/dbraw/zinc/37/51/73/528375173.db2.gz MXFFZPSNRLXWGG-LBPRGKRZSA-N 1 2 294.380 0.780 20 30 CCEDLO COCC#CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676655801 545348021 /nfs/dbraw/zinc/34/80/21/545348021.db2.gz WIUORCMQVVJLFL-UHFFFAOYSA-N 1 2 250.302 0.340 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cnn(C)c2C#N)CCO1 ZINC000357162068 535855545 /nfs/dbraw/zinc/85/55/45/535855545.db2.gz UWLDYNKKHUHNOP-LLVKDONJSA-N 1 2 291.355 0.132 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cnn(C)c2C#N)CCO1 ZINC000357162068 535855551 /nfs/dbraw/zinc/85/55/51/535855551.db2.gz UWLDYNKKHUHNOP-LLVKDONJSA-N 1 2 291.355 0.132 20 30 CCEDLO COCC#CC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000683790012 545564140 /nfs/dbraw/zinc/56/41/40/545564140.db2.gz VLUVKCLENRQTSK-AWEZNQCLSA-N 1 2 279.384 0.714 20 30 CCEDLO COCC#CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000683790012 545564141 /nfs/dbraw/zinc/56/41/41/545564141.db2.gz VLUVKCLENRQTSK-AWEZNQCLSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(-n3cc[nH+]c3)ncn2)C1=O ZINC000684895029 545758395 /nfs/dbraw/zinc/75/83/95/545758395.db2.gz WQGWWSIHBGELKP-LBPRGKRZSA-N 1 2 298.350 0.885 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000777638794 581126622 /nfs/dbraw/zinc/12/66/22/581126622.db2.gz YFHYZQOIJHQFCE-FRRDWIJNSA-N 1 2 288.351 0.678 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781560863 581135681 /nfs/dbraw/zinc/13/56/81/581135681.db2.gz IIADWZLIYNGJAY-ZFWWWQNUSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781560863 581135683 /nfs/dbraw/zinc/13/56/83/581135683.db2.gz IIADWZLIYNGJAY-ZFWWWQNUSA-N 1 2 294.399 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000790068897 581175587 /nfs/dbraw/zinc/17/55/87/581175587.db2.gz QHKJIWLVQYMMSP-LBPRGKRZSA-N 1 2 258.325 0.787 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000790068897 581175589 /nfs/dbraw/zinc/17/55/89/581175589.db2.gz QHKJIWLVQYMMSP-LBPRGKRZSA-N 1 2 258.325 0.787 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000780942897 581251591 /nfs/dbraw/zinc/25/15/91/581251591.db2.gz FCVCAMAXTSYGRR-CQSZACIVSA-N 1 2 282.303 0.872 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)[C@H]1CCCO1 ZINC000792287360 581256775 /nfs/dbraw/zinc/25/67/75/581256775.db2.gz WIBXATIBQOKXEH-ADEWGFFLSA-N 1 2 261.329 0.839 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CCCC3=O)C2)nc1 ZINC000793609264 581304729 /nfs/dbraw/zinc/30/47/29/581304729.db2.gz YEXUDONAEUNZTB-CYBMUJFWSA-N 1 2 286.335 0.986 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CCCC3=O)C2)nc1 ZINC000793609264 581304731 /nfs/dbraw/zinc/30/47/31/581304731.db2.gz YEXUDONAEUNZTB-CYBMUJFWSA-N 1 2 286.335 0.986 20 30 CCEDLO C#CCNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795130088 581399272 /nfs/dbraw/zinc/39/92/72/581399272.db2.gz KGEHTGQEQNJSOI-RYUDHWBXSA-N 1 2 267.398 0.289 20 30 CCEDLO C#CCNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795130086 581399465 /nfs/dbraw/zinc/39/94/65/581399465.db2.gz KGEHTGQEQNJSOI-NWDGAFQWSA-N 1 2 267.398 0.289 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000785768729 581418745 /nfs/dbraw/zinc/41/87/45/581418745.db2.gz PTYNRGSIFUKZLO-UHFFFAOYSA-N 1 2 258.272 0.625 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000785768729 581418747 /nfs/dbraw/zinc/41/87/47/581418747.db2.gz PTYNRGSIFUKZLO-UHFFFAOYSA-N 1 2 258.272 0.625 20 30 CCEDLO N#Cc1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH]1 ZINC000786904189 581452640 /nfs/dbraw/zinc/45/26/40/581452640.db2.gz RHTWVEBTMSLDQO-BETUJISGSA-N 1 2 275.308 0.906 20 30 CCEDLO N#Cc1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH]1 ZINC000786904189 581452641 /nfs/dbraw/zinc/45/26/41/581452641.db2.gz RHTWVEBTMSLDQO-BETUJISGSA-N 1 2 275.308 0.906 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000797442778 581466917 /nfs/dbraw/zinc/46/69/17/581466917.db2.gz IRJJDIKLUGFBSW-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000797442778 581466919 /nfs/dbraw/zinc/46/69/19/581466919.db2.gz IRJJDIKLUGFBSW-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714921 581476043 /nfs/dbraw/zinc/47/60/43/581476043.db2.gz RDFTXSRNUQWGBY-NEPJUHHUSA-N 1 2 293.367 0.965 20 30 CCEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714921 581476045 /nfs/dbraw/zinc/47/60/45/581476045.db2.gz RDFTXSRNUQWGBY-NEPJUHHUSA-N 1 2 293.367 0.965 20 30 CCEDLO C[C@H](O)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000787773540 581477748 /nfs/dbraw/zinc/47/77/48/581477748.db2.gz PNBGGEVJOTXMMP-JTQLQIEISA-N 1 2 266.370 0.838 20 30 CCEDLO CC1(C=NNC(=S)NCC[NH+]2CCOCC2)CCC1 ZINC000765994294 581545628 /nfs/dbraw/zinc/54/56/28/581545628.db2.gz SQJBBOXTSGSYDX-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766137281 581551857 /nfs/dbraw/zinc/55/18/57/581551857.db2.gz VTQHHRTYIYSTTM-NSHDSACASA-N 1 2 278.274 0.371 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cn(C)c1=O ZINC000766735972 581579407 /nfs/dbraw/zinc/57/94/07/581579407.db2.gz ZUAAJRSBJHAXFL-ZDUSSCGKSA-N 1 2 273.336 0.730 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cn(C)c1=O ZINC000766735972 581579409 /nfs/dbraw/zinc/57/94/09/581579409.db2.gz ZUAAJRSBJHAXFL-ZDUSSCGKSA-N 1 2 273.336 0.730 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000755057396 581623433 /nfs/dbraw/zinc/62/34/33/581623433.db2.gz XYHAEMWCCJTEPA-VIFPVBQESA-N 1 2 264.329 0.767 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000735185345 581629244 /nfs/dbraw/zinc/62/92/44/581629244.db2.gz KQBDBLHZLBMXPU-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000735185345 581629247 /nfs/dbraw/zinc/62/92/47/581629247.db2.gz KQBDBLHZLBMXPU-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000739914631 581634452 /nfs/dbraw/zinc/63/44/52/581634452.db2.gz MMNBVMNSRSXAKH-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000739914631 581634455 /nfs/dbraw/zinc/63/44/55/581634455.db2.gz MMNBVMNSRSXAKH-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO Cc1[nH+]c2ccccn2c1CN=Nc1ccc(C(N)=O)nn1 ZINC000756831059 581679750 /nfs/dbraw/zinc/67/97/50/581679750.db2.gz FYJLZCAGVIGIDP-UHFFFAOYSA-N 1 2 295.306 0.978 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000756937513 581685375 /nfs/dbraw/zinc/68/53/75/581685375.db2.gz XUXDEOMIOWBYCB-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO CC(=[NH+]NC1=NC(=O)C(=O)N1)c1ccccc1N(C)C ZINC000769588885 581697301 /nfs/dbraw/zinc/69/73/01/581697301.db2.gz HYTYCOFBQRSCQU-UHFFFAOYSA-N 1 2 273.296 0.079 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190275 581725481 /nfs/dbraw/zinc/72/54/81/581725481.db2.gz LBAKPGAWDKCCKU-LLVKDONJSA-N 1 2 261.281 0.172 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190275 581725484 /nfs/dbraw/zinc/72/54/84/581725484.db2.gz LBAKPGAWDKCCKU-LLVKDONJSA-N 1 2 261.281 0.172 20 30 CCEDLO C#CCNC(=S)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000758230749 581730025 /nfs/dbraw/zinc/73/00/25/581730025.db2.gz UDXNGBIHHNJFRL-GHMZBOCLSA-N 1 2 255.387 0.193 20 30 CCEDLO CC(C)[N@H+]1CC(=NN[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000754254893 581734835 /nfs/dbraw/zinc/73/48/35/581734835.db2.gz QYJPURLEMGLJSJ-GHMZBOCLSA-N 1 2 273.402 0.479 20 30 CCEDLO CC(C)[N@@H+]1CC(=NN[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000754254893 581734837 /nfs/dbraw/zinc/73/48/37/581734837.db2.gz QYJPURLEMGLJSJ-GHMZBOCLSA-N 1 2 273.402 0.479 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000741289798 581744294 /nfs/dbraw/zinc/74/42/94/581744294.db2.gz DFXHTHBWFZVSFN-GOSISDBHSA-N 1 2 271.386 0.059 20 30 CCEDLO C=CC[N@H+](CN1C(=O)NC2(CCOCC2)C1=O)C1CC1 ZINC000771641569 581814768 /nfs/dbraw/zinc/81/47/68/581814768.db2.gz WRRZBNPOEKQDPB-UHFFFAOYSA-N 1 2 279.340 0.695 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)NC2(CCOCC2)C1=O)C1CC1 ZINC000771641569 581814769 /nfs/dbraw/zinc/81/47/69/581814769.db2.gz WRRZBNPOEKQDPB-UHFFFAOYSA-N 1 2 279.340 0.695 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745080436 581864145 /nfs/dbraw/zinc/86/41/45/581864145.db2.gz ARQUTWFPDNAVQU-GHMZBOCLSA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745080436 581864148 /nfs/dbraw/zinc/86/41/48/581864148.db2.gz ARQUTWFPDNAVQU-GHMZBOCLSA-N 1 2 297.355 0.414 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000761910065 581925414 /nfs/dbraw/zinc/92/54/14/581925414.db2.gz DAQSJAIROQWJKI-UHFFFAOYSA-N 1 2 276.365 0.885 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1c(C)nc2sccn21 ZINC000761910065 581925415 /nfs/dbraw/zinc/92/54/15/581925415.db2.gz DAQSJAIROQWJKI-UHFFFAOYSA-N 1 2 276.365 0.885 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000762174717 581934196 /nfs/dbraw/zinc/93/41/96/581934196.db2.gz ZMTIEAIDKDENTL-GHMZBOCLSA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000762174717 581934197 /nfs/dbraw/zinc/93/41/97/581934197.db2.gz ZMTIEAIDKDENTL-GHMZBOCLSA-N 1 2 267.329 0.156 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)OC ZINC000762401601 581943096 /nfs/dbraw/zinc/94/30/96/581943096.db2.gz DGLIHDNOCWZWQZ-UWVGGRQHSA-N 1 2 288.294 0.397 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)OC ZINC000762401601 581943098 /nfs/dbraw/zinc/94/30/98/581943098.db2.gz DGLIHDNOCWZWQZ-UWVGGRQHSA-N 1 2 288.294 0.397 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000748321257 581968372 /nfs/dbraw/zinc/96/83/72/581968372.db2.gz NFYFRFMACDQSHS-SFHVURJKSA-N 1 2 272.414 0.865 20 30 CCEDLO Cc1ccc(CCC=NNC(=S)NCC(N)=O)c[nH+]1 ZINC000774384149 581972084 /nfs/dbraw/zinc/97/20/84/581972084.db2.gz CFNKXUNTCHLMTR-UHFFFAOYSA-N 1 2 279.369 0.258 20 30 CCEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCCO1 ZINC000775340918 582019682 /nfs/dbraw/zinc/01/96/82/582019682.db2.gz NEMXFELTKSVGPO-WCQYABFASA-N 1 2 297.318 0.573 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000764966816 582078824 /nfs/dbraw/zinc/07/88/24/582078824.db2.gz VXVPTWPKMRMZKA-ZIAGYGMSSA-N 1 2 264.369 0.825 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](Cn3cnnc3)CC2)c1 ZINC000776755521 582088684 /nfs/dbraw/zinc/08/86/84/582088684.db2.gz CLSQQNYVIZEQNZ-UHFFFAOYSA-N 1 2 269.312 0.324 20 30 CCEDLO CC(C)[N@H+]1CC(=NNC2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000776796261 582091362 /nfs/dbraw/zinc/09/13/62/582091362.db2.gz DSRZULKEZLAZKB-NSHDSACASA-N 1 2 287.429 0.869 20 30 CCEDLO CC(C)[N@@H+]1CC(=NNC2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000776796261 582091363 /nfs/dbraw/zinc/09/13/63/582091363.db2.gz DSRZULKEZLAZKB-NSHDSACASA-N 1 2 287.429 0.869 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N(C)CCC)CC1 ZINC000765171233 582093424 /nfs/dbraw/zinc/09/34/24/582093424.db2.gz GWXRUVRETCOTBU-UHFFFAOYSA-N 1 2 273.402 0.214 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929774799 616992882 /nfs/dbraw/zinc/99/28/82/616992882.db2.gz FLLOAOGUHFAYDS-LBPRGKRZSA-N 1 2 254.330 0.796 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000853983599 612987169 /nfs/dbraw/zinc/98/71/69/612987169.db2.gz HSEUGYKVTHZRHT-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000853983599 612987171 /nfs/dbraw/zinc/98/71/71/612987171.db2.gz HSEUGYKVTHZRHT-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC000853982664 612989975 /nfs/dbraw/zinc/98/99/75/612989975.db2.gz ISCHPJYDUBCPCA-UHFFFAOYSA-N 1 2 259.313 0.839 20 30 CCEDLO C#CCSCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000887693304 613011857 /nfs/dbraw/zinc/01/18/57/613011857.db2.gz JYQNYIYLUYEWQA-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](C)COC)CC1 ZINC000809809890 613012098 /nfs/dbraw/zinc/01/20/98/613012098.db2.gz CXXARIZBTWZQJO-ZDUSSCGKSA-N 1 2 288.413 0.240 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043161 612947975 /nfs/dbraw/zinc/94/79/75/612947975.db2.gz FTOIIAFSQNPCPA-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043161 612947976 /nfs/dbraw/zinc/94/79/76/612947976.db2.gz FTOIIAFSQNPCPA-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCCNc1cccc[nH+]1 ZINC000859030522 613035105 /nfs/dbraw/zinc/03/51/05/613035105.db2.gz IHTBWAZRNKXPNS-LBPRGKRZSA-N 1 2 276.340 0.831 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858154302 613036442 /nfs/dbraw/zinc/03/64/42/613036442.db2.gz CSUUKTVDDLBJST-NEPJUHHUSA-N 1 2 264.329 0.609 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCn2cnnn2)n1 ZINC000878528368 613078667 /nfs/dbraw/zinc/07/86/67/613078667.db2.gz RMSOOYHLSMFRLZ-UHFFFAOYSA-N 1 2 259.317 0.025 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCn2cnnn2)n1 ZINC000878528368 613078669 /nfs/dbraw/zinc/07/86/69/613078669.db2.gz RMSOOYHLSMFRLZ-UHFFFAOYSA-N 1 2 259.317 0.025 20 30 CCEDLO C#CCN(CC[N@@H+]1CCO[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000852425518 613107470 /nfs/dbraw/zinc/10/74/70/613107470.db2.gz RFWKXKQLOMQUSW-CQSZACIVSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCN(CC[N@H+]1CCO[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000852425518 613107472 /nfs/dbraw/zinc/10/74/72/613107472.db2.gz RFWKXKQLOMQUSW-CQSZACIVSA-N 1 2 296.411 0.984 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000816210912 613454216 /nfs/dbraw/zinc/45/42/16/613454216.db2.gz HVZFBTHJXFSLTQ-SNVBAGLBSA-N 1 2 262.300 0.723 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000816210912 613454221 /nfs/dbraw/zinc/45/42/21/613454221.db2.gz HVZFBTHJXFSLTQ-SNVBAGLBSA-N 1 2 262.300 0.723 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829048976 613493895 /nfs/dbraw/zinc/49/38/95/613493895.db2.gz VINXVYMHGNGVPI-JTQLQIEISA-N 1 2 262.300 0.721 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829048976 613493899 /nfs/dbraw/zinc/49/38/99/613493899.db2.gz VINXVYMHGNGVPI-JTQLQIEISA-N 1 2 262.300 0.721 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896545799 612967561 /nfs/dbraw/zinc/96/75/61/612967561.db2.gz QEPNZHILQVKDNB-ZFWWWQNUSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896545799 612967563 /nfs/dbraw/zinc/96/75/63/612967563.db2.gz QEPNZHILQVKDNB-ZFWWWQNUSA-N 1 2 275.396 0.400 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000834709628 614324317 /nfs/dbraw/zinc/32/43/17/614324317.db2.gz TZRJBGYGISMUIR-ZDUSSCGKSA-N 1 2 252.358 0.825 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000942148844 617288975 /nfs/dbraw/zinc/28/89/75/617288975.db2.gz VGSKETDLFLRDEW-NSHDSACASA-N 1 2 289.339 0.173 20 30 CCEDLO C#CCC1(NC(=O)NCc2c[nH+]cn2C)CCOCC1 ZINC000889054804 612969227 /nfs/dbraw/zinc/96/92/27/612969227.db2.gz JBIOVWWDNDUOJD-UHFFFAOYSA-N 1 2 276.340 0.792 20 30 CCEDLO C#CCC1(NS(=O)(=O)CCn2cc[nH+]c2)CCC1 ZINC000922044285 612970967 /nfs/dbraw/zinc/97/09/67/612970967.db2.gz MDEBTYATBFUZQE-UHFFFAOYSA-N 1 2 267.354 0.749 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)C(=O)NC ZINC000853534328 612982856 /nfs/dbraw/zinc/98/28/56/612982856.db2.gz ITTNDWLCGVBUMK-LLVKDONJSA-N 1 2 277.324 0.393 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913348407 613018878 /nfs/dbraw/zinc/01/88/78/613018878.db2.gz MZMWIKZOJMJWKG-ZSMUJPCHSA-N 1 2 294.395 0.810 20 30 CCEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000843254187 613043626 /nfs/dbraw/zinc/04/36/26/613043626.db2.gz MWNBTYUJNLTCHG-CYBMUJFWSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000886362955 613047171 /nfs/dbraw/zinc/04/71/71/613047171.db2.gz UPDWUKCEMYMIAT-LLVKDONJSA-N 1 2 256.309 0.868 20 30 CCEDLO C#CC[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000886362955 613047172 /nfs/dbraw/zinc/04/71/72/613047172.db2.gz UPDWUKCEMYMIAT-LLVKDONJSA-N 1 2 256.309 0.868 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCc1c[nH+]cn1C ZINC000858464353 613051152 /nfs/dbraw/zinc/05/11/52/613051152.db2.gz IYBBQJAHVHGUEX-LLVKDONJSA-N 1 2 264.329 0.648 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000863783863 613052260 /nfs/dbraw/zinc/05/22/60/613052260.db2.gz VQRMSQALCPQVTL-QWHCGFSZSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000854549865 613053892 /nfs/dbraw/zinc/05/38/92/613053892.db2.gz LOOQPZYQIHPSSL-LLVKDONJSA-N 1 2 261.325 0.262 20 30 CCEDLO C#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC000830155577 613068678 /nfs/dbraw/zinc/06/86/78/613068678.db2.gz VBWLMOXOGYJZPW-CABCVRRESA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[C@H]1C(=O)N(CCC[NH+]2CCOCC2)N=C1C ZINC000899353336 613071434 /nfs/dbraw/zinc/07/14/34/613071434.db2.gz WTUPIYBXKVVJEL-CYBMUJFWSA-N 1 2 263.341 0.566 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000854072302 613083384 /nfs/dbraw/zinc/08/33/84/613083384.db2.gz BVBSLPGYLGFHDB-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@@H+](CCC(OC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000851839744 613107144 /nfs/dbraw/zinc/10/71/44/613107144.db2.gz CKMMTZNRPBBWGX-NSHDSACASA-N 1 2 275.370 0.118 20 30 CCEDLO C#CC[N@H+](CCC(OC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000851839744 613107145 /nfs/dbraw/zinc/10/71/45/613107145.db2.gz CKMMTZNRPBBWGX-NSHDSACASA-N 1 2 275.370 0.118 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](OC(F)F)C2)C1=O ZINC000821771750 613109649 /nfs/dbraw/zinc/10/96/49/613109649.db2.gz MMXKVMYSBUDWOW-UWVGGRQHSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](OC(F)F)C2)C1=O ZINC000821771750 613109651 /nfs/dbraw/zinc/10/96/51/613109651.db2.gz MMXKVMYSBUDWOW-UWVGGRQHSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000950658463 613110564 /nfs/dbraw/zinc/11/05/64/613110564.db2.gz MYBWSAZCEJWARG-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC000941523238 613115262 /nfs/dbraw/zinc/11/52/62/613115262.db2.gz ACWFHVRKRAUJDE-AWEZNQCLSA-N 1 2 281.375 0.442 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccncc3C)CC2)C1 ZINC000941395838 613116256 /nfs/dbraw/zinc/11/62/56/613116256.db2.gz KEFXRIMFKKVLRU-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3C)CC2)C1 ZINC000941371629 613116334 /nfs/dbraw/zinc/11/63/34/613116334.db2.gz XUNIHTPSQMSPMI-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000970684041 613118596 /nfs/dbraw/zinc/11/85/96/613118596.db2.gz NJSLLXRUAJTODE-LLVKDONJSA-N 1 2 273.336 0.367 20 30 CCEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000812200564 613137942 /nfs/dbraw/zinc/13/79/42/613137942.db2.gz WJWRPMZVBDNKKJ-STQMWFEESA-N 1 2 274.324 0.589 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)[C@@H]1CCCO1 ZINC000865531097 613151148 /nfs/dbraw/zinc/15/11/48/613151148.db2.gz GOGMPNFUQVFNQJ-ILXRZTDVSA-N 1 2 290.367 0.728 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC000981820129 613156484 /nfs/dbraw/zinc/15/64/84/613156484.db2.gz JZCLRTNEQYPVEQ-ZDUSSCGKSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC000981820129 613156485 /nfs/dbraw/zinc/15/64/85/613156485.db2.gz JZCLRTNEQYPVEQ-ZDUSSCGKSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)N2CC[NH+](CC)CC2)C1 ZINC000890376345 613167398 /nfs/dbraw/zinc/16/73/98/613167398.db2.gz FFYWPTNMFAKIRI-CQSZACIVSA-N 1 2 278.400 0.431 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000885511718 613193345 /nfs/dbraw/zinc/19/33/45/613193345.db2.gz LVQNKTVDCPVFIB-FRRDWIJNSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000885511718 613193347 /nfs/dbraw/zinc/19/33/47/613193347.db2.gz LVQNKTVDCPVFIB-FRRDWIJNSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc2c(n1)CCC2 ZINC000909665839 613200642 /nfs/dbraw/zinc/20/06/42/613200642.db2.gz GAQSFLOSEQMOAN-AWEZNQCLSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc2c(n1)CCC2 ZINC000909665839 613200643 /nfs/dbraw/zinc/20/06/43/613200643.db2.gz GAQSFLOSEQMOAN-AWEZNQCLSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870475408 613201897 /nfs/dbraw/zinc/20/18/97/613201897.db2.gz SYDMLZAPPPRNKS-LOWDOPEQSA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870475408 613201899 /nfs/dbraw/zinc/20/18/99/613201899.db2.gz SYDMLZAPPPRNKS-LOWDOPEQSA-N 1 2 250.342 0.766 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000810382477 613206437 /nfs/dbraw/zinc/20/64/37/613206437.db2.gz OPAUFRHHVSVFFW-INIZCTEOSA-N 1 2 285.391 0.572 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000810382477 613206440 /nfs/dbraw/zinc/20/64/40/613206440.db2.gz OPAUFRHHVSVFFW-INIZCTEOSA-N 1 2 285.391 0.572 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000853131321 613209756 /nfs/dbraw/zinc/20/97/56/613209756.db2.gz OQGCTNDIZNOHAH-UHFFFAOYSA-N 1 2 288.307 0.449 20 30 CCEDLO C#Cc1cnc(NCC(C)(C)[NH+]2CCOCC2)nc1 ZINC000827294914 613210307 /nfs/dbraw/zinc/21/03/07/613210307.db2.gz WLYBXLJMRNIHBE-UHFFFAOYSA-N 1 2 260.341 0.981 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC000949307154 613210609 /nfs/dbraw/zinc/21/06/09/613210609.db2.gz GDFXAHYVTQBVHZ-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC000949307154 613210611 /nfs/dbraw/zinc/21/06/11/613210611.db2.gz GDFXAHYVTQBVHZ-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972589662 613211429 /nfs/dbraw/zinc/21/14/29/613211429.db2.gz KEGPNQOWPQWIQX-UXLLHSPISA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972589662 613211430 /nfs/dbraw/zinc/21/14/30/613211430.db2.gz KEGPNQOWPQWIQX-UXLLHSPISA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972341644 613212373 /nfs/dbraw/zinc/21/23/73/613212373.db2.gz GIGYGWXIQYSLIG-XJKSGUPXSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972341644 613212374 /nfs/dbraw/zinc/21/23/74/613212374.db2.gz GIGYGWXIQYSLIG-XJKSGUPXSA-N 1 2 276.380 0.969 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000854726067 613213199 /nfs/dbraw/zinc/21/31/99/613213199.db2.gz HIOXSSAQWHUMKM-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO C/C(=C/C(=O)NCCCC#N)C[NH+]1CCOCC1 ZINC000907320230 613236190 /nfs/dbraw/zinc/23/61/90/613236190.db2.gz DDYXWLONLQKACZ-BENRWUELSA-N 1 2 251.330 0.685 20 30 CCEDLO C/C(=C/C(=O)N[C@@H](C#N)C(C)C)C[NH+]1CCOCC1 ZINC000900637371 613238204 /nfs/dbraw/zinc/23/82/04/613238204.db2.gz CLECFKRPZARCDY-FSBNRTBOSA-N 1 2 265.357 0.929 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000967397258 613247223 /nfs/dbraw/zinc/24/72/23/613247223.db2.gz MQIHIBFAJHIGTK-JSGCOSHPSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000967397258 613247224 /nfs/dbraw/zinc/24/72/24/613247224.db2.gz MQIHIBFAJHIGTK-JSGCOSHPSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC000957903045 613320555 /nfs/dbraw/zinc/32/05/55/613320555.db2.gz IURABJJLIVMZDW-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934346910 613329065 /nfs/dbraw/zinc/32/90/65/613329065.db2.gz MRJKSRBKGKKYNS-AWEZNQCLSA-N 1 2 273.336 0.977 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934346910 613329067 /nfs/dbraw/zinc/32/90/67/613329067.db2.gz MRJKSRBKGKKYNS-AWEZNQCLSA-N 1 2 273.336 0.977 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000832278140 613329697 /nfs/dbraw/zinc/32/96/97/613329697.db2.gz QAVLJDOPLMDCDV-NSHDSACASA-N 1 2 291.317 0.552 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000832278140 613329699 /nfs/dbraw/zinc/32/96/99/613329699.db2.gz QAVLJDOPLMDCDV-NSHDSACASA-N 1 2 291.317 0.552 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922734742 613357038 /nfs/dbraw/zinc/35/70/38/613357038.db2.gz HWVDGLXKJFBSNJ-KADHNRKRSA-N 1 2 282.384 0.708 20 30 CCEDLO C=C(C)C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(=O)OC ZINC000870544582 613358513 /nfs/dbraw/zinc/35/85/13/613358513.db2.gz FPHIUBMAXDSLIF-ZFDPJTLLSA-N 1 2 296.367 0.499 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000906974688 613361084 /nfs/dbraw/zinc/36/10/84/613361084.db2.gz GUWXKMYMOPAJPC-KKUMJFAQSA-N 1 2 294.395 0.901 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969920307 613371481 /nfs/dbraw/zinc/37/14/81/613371481.db2.gz ZCVLQAQBFCDRHC-ZYHUDNBSSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc[nH]c2=O)C1 ZINC000969926904 613372539 /nfs/dbraw/zinc/37/25/39/613372539.db2.gz OVORCGADVRMBQO-VIFPVBQESA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC000970571569 613372622 /nfs/dbraw/zinc/37/26/22/613372622.db2.gz MLKGDDKELCWFQL-VIFPVBQESA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2oncc2C)C1 ZINC000958559345 613380325 /nfs/dbraw/zinc/38/03/25/613380325.db2.gz NUHOMBPHYPSFLP-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2oncc2C)C1 ZINC000958559345 613380326 /nfs/dbraw/zinc/38/03/26/613380326.db2.gz NUHOMBPHYPSFLP-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2nocc2C)[C@H](O)C1 ZINC000958573697 613380473 /nfs/dbraw/zinc/38/04/73/613380473.db2.gz KHSKMZHMUNSEBQ-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2nocc2C)[C@H](O)C1 ZINC000958573697 613380474 /nfs/dbraw/zinc/38/04/74/613380474.db2.gz KHSKMZHMUNSEBQ-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878689361 613397259 /nfs/dbraw/zinc/39/72/59/613397259.db2.gz GZYMWBOREICREM-RYUDHWBXSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878689361 613397261 /nfs/dbraw/zinc/39/72/61/613397261.db2.gz GZYMWBOREICREM-RYUDHWBXSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000878151082 613413003 /nfs/dbraw/zinc/41/30/03/613413003.db2.gz URUZAYBLKHPWDX-CYBMUJFWSA-N 1 2 291.351 0.739 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000878151082 613413005 /nfs/dbraw/zinc/41/30/05/613413005.db2.gz URUZAYBLKHPWDX-CYBMUJFWSA-N 1 2 291.351 0.739 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H]2CCC2(OC)OC)nn1 ZINC000926614621 613435972 /nfs/dbraw/zinc/43/59/72/613435972.db2.gz LUYJBXBBHSFILK-NSHDSACASA-N 1 2 252.318 0.705 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000845620594 613444509 /nfs/dbraw/zinc/44/45/09/613444509.db2.gz SMNKXEMACBHVGG-OLZOCXBDSA-N 1 2 283.372 0.999 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000879248171 613446234 /nfs/dbraw/zinc/44/62/34/613446234.db2.gz OABHPQUJEURDBV-LBPRGKRZSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892600702 613448870 /nfs/dbraw/zinc/44/88/70/613448870.db2.gz VEMKQRRYHZEOEE-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892600702 613448871 /nfs/dbraw/zinc/44/88/71/613448871.db2.gz VEMKQRRYHZEOEE-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889215 613450617 /nfs/dbraw/zinc/45/06/17/613450617.db2.gz JVBNQSVIAOOALI-QWHCGFSZSA-N 1 2 264.300 0.846 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000837185736 613454107 /nfs/dbraw/zinc/45/41/07/613454107.db2.gz DRMRKBODPQBZQD-SNVBAGLBSA-N 1 2 262.300 0.723 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000837185736 613454110 /nfs/dbraw/zinc/45/41/10/613454110.db2.gz DRMRKBODPQBZQD-SNVBAGLBSA-N 1 2 262.300 0.723 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069694 613462279 /nfs/dbraw/zinc/46/22/79/613462279.db2.gz BKLGYUIPJTYGHQ-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO C=C[C@H](NCC[N@H+]1CCOC[C@@H]1CC)C(=O)OC ZINC000871937297 613492876 /nfs/dbraw/zinc/49/28/76/613492876.db2.gz CHLCZVOTDKEGOG-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1CCOC[C@@H]1CC)C(=O)OC ZINC000871937297 613492878 /nfs/dbraw/zinc/49/28/78/613492878.db2.gz CHLCZVOTDKEGOG-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(F)F)CC2)C1 ZINC000941279745 613529208 /nfs/dbraw/zinc/52/92/08/613529208.db2.gz ZHXYFWBZLMTIIP-UHFFFAOYSA-N 1 2 285.338 0.493 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746807 613578333 /nfs/dbraw/zinc/57/83/33/613578333.db2.gz RVPUSMYGJQOBRL-RYUDHWBXSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746807 613578336 /nfs/dbraw/zinc/57/83/36/613578336.db2.gz RVPUSMYGJQOBRL-RYUDHWBXSA-N 1 2 256.346 0.103 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000970372580 613538999 /nfs/dbraw/zinc/53/89/99/613538999.db2.gz SDZGKSZOPKODFI-JTQLQIEISA-N 1 2 276.340 0.199 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000949205165 613563330 /nfs/dbraw/zinc/56/33/30/613563330.db2.gz JGPLZEOOINSHMO-CYBMUJFWSA-N 1 2 277.368 0.213 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972278804 613569993 /nfs/dbraw/zinc/56/99/93/613569993.db2.gz KJBADFYSIHWHQO-HIFRSBDPSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972278804 613569994 /nfs/dbraw/zinc/56/99/94/613569994.db2.gz KJBADFYSIHWHQO-HIFRSBDPSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972503748 613571073 /nfs/dbraw/zinc/57/10/73/613571073.db2.gz IBVGXIOGPURQQZ-IIAWOOMASA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972503748 613571075 /nfs/dbraw/zinc/57/10/75/613571075.db2.gz IBVGXIOGPURQQZ-IIAWOOMASA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972269329 613571717 /nfs/dbraw/zinc/57/17/17/613571717.db2.gz MCHUZHWAIXBQHU-OAHLLOKOSA-N 1 2 288.351 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972269329 613571718 /nfs/dbraw/zinc/57/17/18/613571718.db2.gz MCHUZHWAIXBQHU-OAHLLOKOSA-N 1 2 288.351 0.350 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868787164 613588040 /nfs/dbraw/zinc/58/80/40/613588040.db2.gz QWVVQAFBYNKTTL-RYWCDNDXSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931663592 613609024 /nfs/dbraw/zinc/60/90/24/613609024.db2.gz MDSZJEXJJLXFLF-UHFFFAOYSA-N 1 2 296.396 0.465 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465143 613645344 /nfs/dbraw/zinc/64/53/44/613645344.db2.gz RYFHVSSOXUAHKB-NSHDSACASA-N 1 2 258.272 0.407 20 30 CCEDLO C=CC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801932018 613650712 /nfs/dbraw/zinc/65/07/12/613650712.db2.gz FTPOLDYGGQYFNV-NWDGAFQWSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801932018 613650715 /nfs/dbraw/zinc/65/07/15/613650715.db2.gz FTPOLDYGGQYFNV-NWDGAFQWSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000950697587 613653466 /nfs/dbraw/zinc/65/34/66/613653466.db2.gz VIBUZHNIPPYCLI-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000949773715 613654083 /nfs/dbraw/zinc/65/40/83/613654083.db2.gz VQRVXMCPFHHSOV-NEPJUHHUSA-N 1 2 266.341 0.514 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000952394997 613655287 /nfs/dbraw/zinc/65/52/87/613655287.db2.gz QEYHINRYJBOQCI-OLZOCXBDSA-N 1 2 293.411 0.997 20 30 CCEDLO CC(=[NH+]N[C@@H]1CCCS(=O)(=O)C1)c1csc(N)n1 ZINC000863129388 613656800 /nfs/dbraw/zinc/65/68/00/613656800.db2.gz LIFPLRPSZOZXPG-MRVPVSSYSA-N 1 2 288.398 0.616 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(C)n2)C1 ZINC000957358398 613657443 /nfs/dbraw/zinc/65/74/43/613657443.db2.gz PQYNCYSSKJKDSL-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000970369798 613672639 /nfs/dbraw/zinc/67/26/39/613672639.db2.gz WYNUCFYBCZAGCP-VIFPVBQESA-N 1 2 264.329 0.362 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC000957307471 613710648 /nfs/dbraw/zinc/71/06/48/613710648.db2.gz XVPKRRKZRXWKRM-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000949424492 613711906 /nfs/dbraw/zinc/71/19/06/613711906.db2.gz YPCANWQMORSPRD-MELADBBJSA-N 1 2 280.368 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000957106834 613713537 /nfs/dbraw/zinc/71/35/37/613713537.db2.gz DGJRLZFWPUAXBP-OCCSQVGLSA-N 1 2 250.342 0.743 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000948953059 613713579 /nfs/dbraw/zinc/71/35/79/613713579.db2.gz GEUXTBFHYPXDLV-ZDUSSCGKSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc3c(cn2)OCCO3)CC1 ZINC000948808796 613715264 /nfs/dbraw/zinc/71/52/64/613715264.db2.gz MERLTNCSPKRWBJ-UHFFFAOYSA-N 1 2 289.335 0.797 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)C1=O ZINC000853520286 613719850 /nfs/dbraw/zinc/71/98/50/613719850.db2.gz NKLWRJUJHOUSTF-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCC3=C(CCC(=O)N3)C2)C1=O ZINC000853520286 613719852 /nfs/dbraw/zinc/71/98/52/613719852.db2.gz NKLWRJUJHOUSTF-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972361877 613723893 /nfs/dbraw/zinc/72/38/93/613723893.db2.gz LLXHGABLUHCQNY-HOCLYGCPSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972361877 613723894 /nfs/dbraw/zinc/72/38/94/613723894.db2.gz LLXHGABLUHCQNY-HOCLYGCPSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972277989 613724196 /nfs/dbraw/zinc/72/41/96/613724196.db2.gz YTEXUNRMICUOFH-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn[nH]c3)C2)C1 ZINC000972277989 613724197 /nfs/dbraw/zinc/72/41/97/613724197.db2.gz YTEXUNRMICUOFH-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972290797 613726853 /nfs/dbraw/zinc/72/68/53/613726853.db2.gz HKNDDQMABOHLPT-UKRRQHHQSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972290797 613726855 /nfs/dbraw/zinc/72/68/55/613726855.db2.gz HKNDDQMABOHLPT-UKRRQHHQSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1=O ZINC000798645123 613764174 /nfs/dbraw/zinc/76/41/74/613764174.db2.gz YVCZAARBNLGJDL-VXGBXAGGSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)C[N@H+](C)[C@@H]2CCSC2)C1=O ZINC000798645123 613764175 /nfs/dbraw/zinc/76/41/75/613764175.db2.gz YVCZAARBNLGJDL-VXGBXAGGSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879372067 613844971 /nfs/dbraw/zinc/84/49/71/613844971.db2.gz WKRXWXPJWPIXEP-SNVBAGLBSA-N 1 2 290.310 0.809 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879372067 613844972 /nfs/dbraw/zinc/84/49/72/613844972.db2.gz WKRXWXPJWPIXEP-SNVBAGLBSA-N 1 2 290.310 0.809 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C\C(=O)OCC)CC1 ZINC000929095438 613845701 /nfs/dbraw/zinc/84/57/01/613845701.db2.gz BBGHJZNTMVBGCR-WAYWQWQTSA-N 1 2 295.383 0.026 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455440 613851270 /nfs/dbraw/zinc/85/12/70/613851270.db2.gz JWVVKYVTECBLGX-VHSXEESVSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455440 613851271 /nfs/dbraw/zinc/85/12/71/613851271.db2.gz JWVVKYVTECBLGX-VHSXEESVSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OCC12CCC2 ZINC000884387510 613878059 /nfs/dbraw/zinc/87/80/59/613878059.db2.gz VYROUFYGJMWVQY-NEPJUHHUSA-N 1 2 296.367 0.603 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc(F)cc1 ZINC000884047634 613878138 /nfs/dbraw/zinc/87/81/38/613878138.db2.gz DNIVDVZFZVDOBJ-ZDUSSCGKSA-N 1 2 294.326 0.931 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[C@H]1CCCCO1 ZINC000884320104 613878176 /nfs/dbraw/zinc/87/81/76/613878176.db2.gz KSRJUBOAKYZKAU-OLZOCXBDSA-N 1 2 298.383 0.899 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(C)cs1 ZINC000884046753 613878871 /nfs/dbraw/zinc/87/88/71/613878871.db2.gz QPKUBYGVNBVPOX-QMMMGPOBSA-N 1 2 269.326 0.837 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)nn(CC)c1C ZINC000884149473 613878883 /nfs/dbraw/zinc/87/88/83/613878883.db2.gz LUMNVYDOIFNVMQ-NSHDSACASA-N 1 2 294.355 0.905 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000853604384 613880154 /nfs/dbraw/zinc/88/01/54/613880154.db2.gz CXYXFPLVZYMJGS-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000853604384 613880155 /nfs/dbraw/zinc/88/01/55/613880155.db2.gz CXYXFPLVZYMJGS-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]CCC(N)=O)C1 ZINC000819230208 613981425 /nfs/dbraw/zinc/98/14/25/613981425.db2.gz SDTNFPVONCUNFH-NXEZZACHSA-N 1 2 282.344 0.210 20 30 CCEDLO CC(C)(CCC#N)C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897906939 614080590 /nfs/dbraw/zinc/08/05/90/614080590.db2.gz GIWFMSGKQHWQMZ-UHFFFAOYSA-N 1 2 250.302 0.210 20 30 CCEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C#N ZINC000801946714 614199222 /nfs/dbraw/zinc/19/92/22/614199222.db2.gz MSANUTWGAZYPCX-NWDGAFQWSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801946714 614199224 /nfs/dbraw/zinc/19/92/24/614199224.db2.gz MSANUTWGAZYPCX-NWDGAFQWSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000914403571 614287123 /nfs/dbraw/zinc/28/71/23/614287123.db2.gz IRWHHQUAHOWLNM-LLVKDONJSA-N 1 2 296.396 0.915 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000914304588 614288629 /nfs/dbraw/zinc/28/86/29/614288629.db2.gz CFWHEAKVMDSTFH-JTQLQIEISA-N 1 2 282.369 0.667 20 30 CCEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCOC)C1 ZINC000949854478 614708143 /nfs/dbraw/zinc/70/81/43/614708143.db2.gz OTANFOZQLULZTK-UHFFFAOYSA-N 1 2 276.340 0.679 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC#N ZINC000921906590 615478093 /nfs/dbraw/zinc/47/80/93/615478093.db2.gz ORSFXFMRTJOBMJ-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C#N ZINC000875477400 615567610 /nfs/dbraw/zinc/56/76/10/615567610.db2.gz YLHBCJMUFWNNOC-VXGBXAGGSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C#N ZINC000875477400 615567611 /nfs/dbraw/zinc/56/76/11/615567611.db2.gz YLHBCJMUFWNNOC-VXGBXAGGSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cncc(C#N)n1 ZINC000895800389 615720453 /nfs/dbraw/zinc/72/04/53/615720453.db2.gz BSKKCHWJQYGBRQ-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCN(CC#N)CC1 ZINC000948813273 615826928 /nfs/dbraw/zinc/82/69/28/615826928.db2.gz YGPBZLPDRMWQDD-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnn1C ZINC000872773832 615929582 /nfs/dbraw/zinc/92/95/82/615929582.db2.gz WXUUDTHYVKUUAE-LBPRGKRZSA-N 1 2 263.345 0.814 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1c(C#N)cnn1C ZINC000872773832 615929583 /nfs/dbraw/zinc/92/95/83/615929583.db2.gz WXUUDTHYVKUUAE-LBPRGKRZSA-N 1 2 263.345 0.814 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)NC(=O)C2 ZINC000905491686 616067973 /nfs/dbraw/zinc/06/79/73/616067973.db2.gz HIGHLYHCVYUEIB-CYBMUJFWSA-N 1 2 288.351 0.799 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)NC(=O)C2 ZINC000905491686 616067974 /nfs/dbraw/zinc/06/79/74/616067974.db2.gz HIGHLYHCVYUEIB-CYBMUJFWSA-N 1 2 288.351 0.799 20 30 CCEDLO CN1C(=O)CN(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523457 616135856 /nfs/dbraw/zinc/13/58/56/616135856.db2.gz DVGNXVWLDJPJHU-SNVBAGLBSA-N 1 2 250.302 0.464 20 30 CCEDLO CN1C(=O)CN(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523457 616135859 /nfs/dbraw/zinc/13/58/59/616135859.db2.gz DVGNXVWLDJPJHU-SNVBAGLBSA-N 1 2 250.302 0.464 20 30 CCEDLO C[N@@H+]1CCC[C@@](O)(CC(=O)NOc2cccc(C#N)c2)C1 ZINC000913666583 616202260 /nfs/dbraw/zinc/20/22/60/616202260.db2.gz DFTMBBZOOHQRBE-OAHLLOKOSA-N 1 2 289.335 0.815 20 30 CCEDLO C[N@H+]1CCC[C@@](O)(CC(=O)NOc2cccc(C#N)c2)C1 ZINC000913666583 616202261 /nfs/dbraw/zinc/20/22/61/616202261.db2.gz DFTMBBZOOHQRBE-OAHLLOKOSA-N 1 2 289.335 0.815 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1CO ZINC000913547347 616231948 /nfs/dbraw/zinc/23/19/48/616231948.db2.gz MHFJRXFZYKQFHP-SNVBAGLBSA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1CO ZINC000913547347 616231949 /nfs/dbraw/zinc/23/19/49/616231949.db2.gz MHFJRXFZYKQFHP-SNVBAGLBSA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1(C)C ZINC000917087237 616246428 /nfs/dbraw/zinc/24/64/28/616246428.db2.gz LTVNDRZRHPUOIO-UHFFFAOYSA-N 1 2 273.402 0.892 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1(C)C ZINC000917087237 616246429 /nfs/dbraw/zinc/24/64/29/616246429.db2.gz LTVNDRZRHPUOIO-UHFFFAOYSA-N 1 2 273.402 0.892 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000930638725 616345126 /nfs/dbraw/zinc/34/51/26/616345126.db2.gz JYQUVXKGMURTOO-UHFFFAOYSA-N 1 2 274.324 0.943 20 30 CCEDLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928799889 616476907 /nfs/dbraw/zinc/47/69/07/616476907.db2.gz FZOMSZAQFCQWGZ-WEDXCCLWSA-N 1 2 279.262 0.402 20 30 CCEDLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928799889 616476909 /nfs/dbraw/zinc/47/69/09/616476909.db2.gz FZOMSZAQFCQWGZ-WEDXCCLWSA-N 1 2 279.262 0.402 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000880566603 616561806 /nfs/dbraw/zinc/56/18/06/616561806.db2.gz OLTJNYLHYJBDRA-CQSZACIVSA-N 1 2 278.283 0.807 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000880566603 616561810 /nfs/dbraw/zinc/56/18/10/616561810.db2.gz OLTJNYLHYJBDRA-CQSZACIVSA-N 1 2 278.283 0.807 20 30 CCEDLO COC(=O)CNC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776152 616596233 /nfs/dbraw/zinc/59/62/33/616596233.db2.gz UFFYIWZWHDVMQN-UHFFFAOYSA-N 1 2 281.337 0.341 20 30 CCEDLO COC(=O)CNC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776152 616596237 /nfs/dbraw/zinc/59/62/37/616596237.db2.gz UFFYIWZWHDVMQN-UHFFFAOYSA-N 1 2 281.337 0.341 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCCC#N ZINC000842961719 616653254 /nfs/dbraw/zinc/65/32/54/616653254.db2.gz AFTIWWYJXMPCMU-OLZOCXBDSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCCC#N ZINC000842961719 616653257 /nfs/dbraw/zinc/65/32/57/616653257.db2.gz AFTIWWYJXMPCMU-OLZOCXBDSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629655 616909722 /nfs/dbraw/zinc/90/97/22/616909722.db2.gz UITHOYQMLKOSSH-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629655 616909725 /nfs/dbraw/zinc/90/97/25/616909725.db2.gz UITHOYQMLKOSSH-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)CC#N)s1 ZINC000930758628 616984288 /nfs/dbraw/zinc/98/42/88/616984288.db2.gz CYLUMWKNLNGIAK-JGVFFNPUSA-N 1 2 269.326 0.855 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929774799 616992881 /nfs/dbraw/zinc/99/28/81/616992881.db2.gz FLLOAOGUHFAYDS-LBPRGKRZSA-N 1 2 254.330 0.796 20 30 CCEDLO CON=CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870160217 617103949 /nfs/dbraw/zinc/10/39/49/617103949.db2.gz WOOZIEXQKRSTNZ-UHFFFAOYSA-N 1 2 291.351 0.972 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001008464011 625464448 /nfs/dbraw/zinc/46/44/48/625464448.db2.gz LPXDGUIOORMRGJ-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001008464011 625464450 /nfs/dbraw/zinc/46/44/50/625464450.db2.gz LPXDGUIOORMRGJ-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972502135 622891149 /nfs/dbraw/zinc/89/11/49/622891149.db2.gz MCNAYUCOGNVZNI-OCCSQVGLSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972502135 622891152 /nfs/dbraw/zinc/89/11/52/622891152.db2.gz MCNAYUCOGNVZNI-OCCSQVGLSA-N 1 2 268.332 0.671 20 30 CCEDLO C[C@H]1CCN(C(=O)NCC#CCO)C[C@H]1n1cc[nH+]c1 ZINC000923776235 623327177 /nfs/dbraw/zinc/32/71/77/623327177.db2.gz PSNBOPOIINFPPA-QWHCGFSZSA-N 1 2 276.340 0.471 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024657025 623409320 /nfs/dbraw/zinc/40/93/20/623409320.db2.gz WALBODPZLOIRDS-UTUOFQBUSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024657025 623409326 /nfs/dbraw/zinc/40/93/26/623409326.db2.gz WALBODPZLOIRDS-UTUOFQBUSA-N 1 2 299.802 0.831 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCO[C@@](C)(C#N)C2)CCO1 ZINC000892596931 623573226 /nfs/dbraw/zinc/57/32/26/623573226.db2.gz RLLYXTPVGJYQGP-JSGCOSHPSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCO[C@@](C)(C#N)C2)CCO1 ZINC000892596931 623573231 /nfs/dbraw/zinc/57/32/31/623573231.db2.gz RLLYXTPVGJYQGP-JSGCOSHPSA-N 1 2 296.371 0.031 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC#CCO)C1 ZINC000923770923 624536436 /nfs/dbraw/zinc/53/64/36/624536436.db2.gz DLNOKIHNYQQQLT-LBPRGKRZSA-N 1 2 276.340 0.305 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000969991494 624569686 /nfs/dbraw/zinc/56/96/86/624569686.db2.gz FVGMJWUUZAERER-NEPJUHHUSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(CC#N)C1 ZINC000970444167 624688075 /nfs/dbraw/zinc/68/80/75/624688075.db2.gz GAQOEBAHCFKVQD-CYZMBNFOSA-N 1 2 287.367 0.484 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021755524 624820368 /nfs/dbraw/zinc/82/03/68/624820368.db2.gz XIJJRAGLPRNBIH-KBPBESRZSA-N 1 2 287.367 0.720 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971222697 624828953 /nfs/dbraw/zinc/82/89/53/624828953.db2.gz ZRVDIAXBVKGSKZ-WCQYABFASA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971222697 624828955 /nfs/dbraw/zinc/82/89/55/624828955.db2.gz ZRVDIAXBVKGSKZ-WCQYABFASA-N 1 2 275.356 0.612 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000290225694 624859217 /nfs/dbraw/zinc/85/92/17/624859217.db2.gz UEPGJCALDXSTDL-UHFFFAOYSA-N 1 2 295.346 0.806 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000308350513 624868017 /nfs/dbraw/zinc/86/80/17/624868017.db2.gz XXVAWKQQKCWCKZ-LBPRGKRZSA-N 1 2 260.345 0.314 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000308350513 624868019 /nfs/dbraw/zinc/86/80/19/624868019.db2.gz XXVAWKQQKCWCKZ-LBPRGKRZSA-N 1 2 260.345 0.314 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000255368865 624888393 /nfs/dbraw/zinc/88/83/93/624888393.db2.gz GKNPSRHHAOIELP-ARJAWSKDSA-N 1 2 271.320 0.578 20 30 CCEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]3CO)C2=O)cc1 ZINC000934022330 625005574 /nfs/dbraw/zinc/00/55/74/625005574.db2.gz LJVPCNYAXGPRCC-KGLIPLIRSA-N 1 2 271.320 0.730 20 30 CCEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]3CO)C2=O)cc1 ZINC000934022330 625005578 /nfs/dbraw/zinc/00/55/78/625005578.db2.gz LJVPCNYAXGPRCC-KGLIPLIRSA-N 1 2 271.320 0.730 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(N)nn3)CC2)cn1 ZINC000904385278 634741018 /nfs/dbraw/zinc/74/10/18/634741018.db2.gz UORYAYWOQSLHJD-UHFFFAOYSA-N 1 2 295.350 0.648 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001027814387 630941292 /nfs/dbraw/zinc/94/12/92/630941292.db2.gz MJVJUSUDARLTFN-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001027814387 630941297 /nfs/dbraw/zinc/94/12/97/630941297.db2.gz MJVJUSUDARLTFN-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO N#CC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(F)(F)F ZINC000928802897 632602832 /nfs/dbraw/zinc/60/28/32/632602832.db2.gz LNVREJOCHJCKEV-YOLVWIGZSA-N 1 2 291.273 0.836 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988752295 633103111 /nfs/dbraw/zinc/10/31/11/633103111.db2.gz SBVVEXNYLWIIIF-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H](C)N1CC#N ZINC000898132515 633278602 /nfs/dbraw/zinc/27/86/02/633278602.db2.gz JXKUQTCPYVFCRT-YVECIDJPSA-N 1 2 287.367 0.958 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000898132515 633278605 /nfs/dbraw/zinc/27/86/05/633278605.db2.gz JXKUQTCPYVFCRT-YVECIDJPSA-N 1 2 287.367 0.958 20 30 CCEDLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H](C)N1CC#N ZINC000898132514 633278850 /nfs/dbraw/zinc/27/88/50/633278850.db2.gz JXKUQTCPYVFCRT-WUHRBBMRSA-N 1 2 287.367 0.958 20 30 CCEDLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000898132514 633278852 /nfs/dbraw/zinc/27/88/52/633278852.db2.gz JXKUQTCPYVFCRT-WUHRBBMRSA-N 1 2 287.367 0.958 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCN(CC#N)C3)ccn12 ZINC001014419628 633337591 /nfs/dbraw/zinc/33/75/91/633337591.db2.gz DJSXAQKTYGKNHM-ZDUSSCGKSA-N 1 2 283.335 0.970 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842569 650129295 /nfs/dbraw/zinc/12/92/95/650129295.db2.gz YCCWSCYIMYCUPR-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842569 650129299 /nfs/dbraw/zinc/12/92/99/650129299.db2.gz YCCWSCYIMYCUPR-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCN(O)C2=O)c[nH+]1 ZINC000908406454 635368687 /nfs/dbraw/zinc/36/86/87/635368687.db2.gz RCHHSIUUPSGMNL-SNVBAGLBSA-N 1 2 280.328 0.423 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668230 650251509 /nfs/dbraw/zinc/25/15/09/650251509.db2.gz KEQXXIABZQOAPM-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668230 650251514 /nfs/dbraw/zinc/25/15/14/650251514.db2.gz KEQXXIABZQOAPM-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912741358 636665267 /nfs/dbraw/zinc/66/52/67/636665267.db2.gz SRBUDNUHLWJELP-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912741358 636665268 /nfs/dbraw/zinc/66/52/68/636665268.db2.gz SRBUDNUHLWJELP-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CCCOC1 ZINC000913439481 636807275 /nfs/dbraw/zinc/80/72/75/636807275.db2.gz DXVHGKPQPNHJTQ-JSGCOSHPSA-N 1 2 289.339 0.203 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)o3)CC[NH2+]2)cn1 ZINC000913459589 636813889 /nfs/dbraw/zinc/81/38/89/636813889.db2.gz GCIYTWICVNGMAD-LBPRGKRZSA-N 1 2 285.307 0.671 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC000993020560 637665401 /nfs/dbraw/zinc/66/54/01/637665401.db2.gz XUDWNVBIDWGBJC-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC000993020560 637665405 /nfs/dbraw/zinc/66/54/05/637665405.db2.gz XUDWNVBIDWGBJC-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000182620540 638497255 /nfs/dbraw/zinc/49/72/55/638497255.db2.gz UZKFXXGDGFIVKQ-UHFFFAOYSA-N 1 2 253.302 0.651 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000182620540 638497259 /nfs/dbraw/zinc/49/72/59/638497259.db2.gz UZKFXXGDGFIVKQ-UHFFFAOYSA-N 1 2 253.302 0.651 20 30 CCEDLO C#CCC(C)(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000184441369 638681656 /nfs/dbraw/zinc/68/16/56/638681656.db2.gz BXSZZCSWBYAYMJ-ZDUSSCGKSA-N 1 2 282.384 0.187 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CCC[C@H](NCC#N)C1 ZINC000999481177 638982887 /nfs/dbraw/zinc/98/28/87/638982887.db2.gz CQLPJMZSSCAAPS-ZDUSSCGKSA-N 1 2 288.351 0.737 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014618711 650464981 /nfs/dbraw/zinc/46/49/81/650464981.db2.gz SBZCQKARQMMNPX-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001014618711 650464983 /nfs/dbraw/zinc/46/49/83/650464983.db2.gz SBZCQKARQMMNPX-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001014725774 650482401 /nfs/dbraw/zinc/48/24/01/650482401.db2.gz SBCYUNFKQKQVTQ-VXGBXAGGSA-N 1 2 290.367 0.352 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001014725774 650482402 /nfs/dbraw/zinc/48/24/02/650482402.db2.gz SBCYUNFKQKQVTQ-VXGBXAGGSA-N 1 2 290.367 0.352 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014984365 650511239 /nfs/dbraw/zinc/51/12/39/650511239.db2.gz SLIWWHMERPHVHF-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074719 650524964 /nfs/dbraw/zinc/52/49/64/650524964.db2.gz SNDGNSCEKNRBOX-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074719 650524968 /nfs/dbraw/zinc/52/49/68/650524968.db2.gz SNDGNSCEKNRBOX-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO Cc1[nH+]c[nH]c1CN=Nc1ncnc2c1cnn2C ZINC000755644215 640331682 /nfs/dbraw/zinc/33/16/82/640331682.db2.gz IBMRVOOIPOEAIW-UHFFFAOYSA-N 1 2 256.273 0.841 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001015493231 650573354 /nfs/dbraw/zinc/57/33/54/650573354.db2.gz NSNNVYFGQPYGOK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001015493231 650573355 /nfs/dbraw/zinc/57/33/55/650573355.db2.gz NSNNVYFGQPYGOK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C[C@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241249 640694402 /nfs/dbraw/zinc/69/44/02/640694402.db2.gz KVOWIPAZGIOVBG-NXEZZACHSA-N 1 2 281.291 0.298 20 30 CCEDLO C[C@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241249 640694405 /nfs/dbraw/zinc/69/44/05/640694405.db2.gz KVOWIPAZGIOVBG-NXEZZACHSA-N 1 2 281.291 0.298 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001015672973 650605639 /nfs/dbraw/zinc/60/56/39/650605639.db2.gz FGFKTBDYWPKWKX-GFCCVEGCSA-N 1 2 289.383 0.862 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001015672973 650605643 /nfs/dbraw/zinc/60/56/43/650605643.db2.gz FGFKTBDYWPKWKX-GFCCVEGCSA-N 1 2 289.383 0.862 20 30 CCEDLO C=C(C[NH+](C)C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000814650517 641073378 /nfs/dbraw/zinc/07/33/78/641073378.db2.gz UELMSXLKFCHHNI-UHFFFAOYSA-N 1 2 272.312 0.923 20 30 CCEDLO N#Cc1ccnc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000820546731 641515274 /nfs/dbraw/zinc/51/52/74/641515274.db2.gz OZFJNJIFLOVTHH-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015981916 650668620 /nfs/dbraw/zinc/66/86/20/650668620.db2.gz GHZDKTYJJJBFGO-LBPRGKRZSA-N 1 2 296.334 0.595 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C#CC(C)(C)C ZINC000837460684 642746520 /nfs/dbraw/zinc/74/65/20/642746520.db2.gz UCJVBWXLHXUTAR-CYBMUJFWSA-N 1 2 282.384 0.187 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000837481514 642747860 /nfs/dbraw/zinc/74/78/60/642747860.db2.gz QILVZWJCNFEZJD-RYUDHWBXSA-N 1 2 252.358 0.871 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000837481514 642747867 /nfs/dbraw/zinc/74/78/67/642747867.db2.gz QILVZWJCNFEZJD-RYUDHWBXSA-N 1 2 252.358 0.871 20 30 CCEDLO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017440163 650802394 /nfs/dbraw/zinc/80/23/94/650802394.db2.gz FEWSFTLRCGPVCM-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017440163 650802397 /nfs/dbraw/zinc/80/23/97/650802397.db2.gz FEWSFTLRCGPVCM-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)n[nH]1 ZINC001017467844 650804111 /nfs/dbraw/zinc/80/41/11/650804111.db2.gz VDHBYFNJUMKPGM-OKILXGFUSA-N 1 2 272.352 0.569 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)n[nH]1 ZINC001017467844 650804114 /nfs/dbraw/zinc/80/41/14/650804114.db2.gz VDHBYFNJUMKPGM-OKILXGFUSA-N 1 2 272.352 0.569 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489927 650805713 /nfs/dbraw/zinc/80/57/13/650805713.db2.gz SCDYBNHCXDLNJT-OKILXGFUSA-N 1 2 268.320 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489927 650805715 /nfs/dbraw/zinc/80/57/15/650805715.db2.gz SCDYBNHCXDLNJT-OKILXGFUSA-N 1 2 268.320 0.808 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)o1 ZINC001017527772 650809477 /nfs/dbraw/zinc/80/94/77/650809477.db2.gz IJANMTRWCIDTDF-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)o1 ZINC001017527772 650809479 /nfs/dbraw/zinc/80/94/79/650809479.db2.gz IJANMTRWCIDTDF-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544465 650810036 /nfs/dbraw/zinc/81/00/36/650810036.db2.gz SLMJRAXQEBJWDA-YVECIDJPSA-N 1 2 279.340 0.903 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544465 650810037 /nfs/dbraw/zinc/81/00/37/650810037.db2.gz SLMJRAXQEBJWDA-YVECIDJPSA-N 1 2 279.340 0.903 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001017563611 650811272 /nfs/dbraw/zinc/81/12/72/650811272.db2.gz ORUZDELTEQUYNA-YIYPIFLZSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001017563611 650811273 /nfs/dbraw/zinc/81/12/73/650811273.db2.gz ORUZDELTEQUYNA-YIYPIFLZSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001017674949 650817295 /nfs/dbraw/zinc/81/72/95/650817295.db2.gz HDNGOHGNNOLOSV-XDQVBPFNSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001017674949 650817299 /nfs/dbraw/zinc/81/72/99/650817299.db2.gz HDNGOHGNNOLOSV-XDQVBPFNSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001017670926 650817499 /nfs/dbraw/zinc/81/74/99/650817499.db2.gz LYAKTECWLQXDDW-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001017670926 650817500 /nfs/dbraw/zinc/81/75/00/650817500.db2.gz LYAKTECWLQXDDW-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001017670926 650817503 /nfs/dbraw/zinc/81/75/03/650817503.db2.gz LYAKTECWLQXDDW-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1C ZINC001017780867 650821605 /nfs/dbraw/zinc/82/16/05/650821605.db2.gz URAFDQDQTGXUSZ-OKILXGFUSA-N 1 2 286.379 0.959 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1C ZINC001017780867 650821607 /nfs/dbraw/zinc/82/16/07/650821607.db2.gz URAFDQDQTGXUSZ-OKILXGFUSA-N 1 2 286.379 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@H]1C ZINC001017908431 650834411 /nfs/dbraw/zinc/83/44/11/650834411.db2.gz DHVJIDOJZXEEMO-KBXIAJHMSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@H]1C ZINC001017908431 650834412 /nfs/dbraw/zinc/83/44/12/650834412.db2.gz DHVJIDOJZXEEMO-KBXIAJHMSA-N 1 2 276.380 0.967 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000846955556 643474501 /nfs/dbraw/zinc/47/45/01/643474501.db2.gz LPKDGFPTRGHOEP-LLVKDONJSA-N 1 2 277.324 0.140 20 30 CCEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033518 643481469 /nfs/dbraw/zinc/48/14/69/643481469.db2.gz XYMBNBCGZNTAMW-MNOVXSKESA-N 1 2 274.372 0.926 20 30 CCEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033518 643481472 /nfs/dbraw/zinc/48/14/72/643481472.db2.gz XYMBNBCGZNTAMW-MNOVXSKESA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001018169882 650846931 /nfs/dbraw/zinc/84/69/31/650846931.db2.gz OJWACYDYZZCWKT-RWMBFGLXSA-N 1 2 299.378 0.218 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001018169882 650846932 /nfs/dbraw/zinc/84/69/32/650846932.db2.gz OJWACYDYZZCWKT-RWMBFGLXSA-N 1 2 299.378 0.218 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001018633638 650887142 /nfs/dbraw/zinc/88/71/42/650887142.db2.gz YYJPHIXIVJURQS-UWVGGRQHSA-N 1 2 277.328 0.482 20 30 CCEDLO N#Cc1cccc(OCC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000857888362 644573872 /nfs/dbraw/zinc/57/38/72/644573872.db2.gz SGXGQNJIBPPFBK-LBPRGKRZSA-N 1 2 282.303 0.875 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857945789 644581168 /nfs/dbraw/zinc/58/11/68/644581168.db2.gz QPCSQBUHPPABNT-DZGCQCFKSA-N 1 2 296.330 0.919 20 30 CCEDLO C[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)Cn1cc[nH+]c1 ZINC000866002461 645457819 /nfs/dbraw/zinc/45/78/19/645457819.db2.gz YCRSKUTWTXYCMV-TZMCWYRMSA-N 1 2 276.340 0.956 20 30 CCEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3)CC2)nc(N)[nH+]1 ZINC000866210277 645505175 /nfs/dbraw/zinc/50/51/75/645505175.db2.gz BKMYSNSVJLYAME-UHFFFAOYSA-N 1 2 295.350 0.961 20 30 CCEDLO N#CCc1ccsc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000869073061 645840096 /nfs/dbraw/zinc/84/00/96/645840096.db2.gz AILWGZWOIRCSDU-GFCCVEGCSA-N 1 2 291.376 0.705 20 30 CCEDLO N#CCc1ccsc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000869073061 645840098 /nfs/dbraw/zinc/84/00/98/645840098.db2.gz AILWGZWOIRCSDU-GFCCVEGCSA-N 1 2 291.376 0.705 20 30 CCEDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(C#N)c1 ZINC000872463018 646266323 /nfs/dbraw/zinc/26/63/23/646266323.db2.gz GYWINXKWSLKFST-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000929464314 648741548 /nfs/dbraw/zinc/74/15/48/648741548.db2.gz NTHXPRNJVSGAII-GFCCVEGCSA-N 1 2 266.370 0.535 20 30 CCEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930643721 648885849 /nfs/dbraw/zinc/88/58/49/648885849.db2.gz YPNZRSHTUVROIS-WDEREUQCSA-N 1 2 260.359 0.160 20 30 CCEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)CC#N ZINC000930643721 648885854 /nfs/dbraw/zinc/88/58/54/648885854.db2.gz YPNZRSHTUVROIS-WDEREUQCSA-N 1 2 260.359 0.160 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000932157629 649054267 /nfs/dbraw/zinc/05/42/67/649054267.db2.gz MQPYEJGBRPUIDU-OLZOCXBDSA-N 1 2 268.357 0.778 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000932157629 649054268 /nfs/dbraw/zinc/05/42/68/649054268.db2.gz MQPYEJGBRPUIDU-OLZOCXBDSA-N 1 2 268.357 0.778 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)CCOC ZINC000934511415 649177901 /nfs/dbraw/zinc/17/79/01/649177901.db2.gz NCSJUGJWJCAMHO-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)CCOC ZINC000934511415 649177903 /nfs/dbraw/zinc/17/79/03/649177903.db2.gz NCSJUGJWJCAMHO-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191488919 649479713 /nfs/dbraw/zinc/47/97/13/649479713.db2.gz BSKVGUBIJOPDCM-LLVKDONJSA-N 1 2 290.371 0.859 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193713566 649555538 /nfs/dbraw/zinc/55/55/38/649555538.db2.gz QDENEHAMAPBXKA-MRVPVSSYSA-N 1 2 297.277 0.459 20 30 CCEDLO C=CC[NH+]1CCN(c2ncnc3c2[C@H](C)C(=O)N3)CC1 ZINC001165031479 721867730 /nfs/dbraw/zinc/86/77/30/721867730.db2.gz LGBMYGCOULLVID-JTQLQIEISA-N 1 2 273.340 0.840 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC001266264294 790355076 /nfs/dbraw/zinc/35/50/76/790355076.db2.gz PAWYQPYCPQKAJV-SECBINFHSA-N 1 2 252.343 0.851 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001266264294 790355092 /nfs/dbraw/zinc/35/50/92/790355092.db2.gz PAWYQPYCPQKAJV-SECBINFHSA-N 1 2 252.343 0.851 20 30 CCEDLO C[N@H+](CCNC(=O)C[C@@H]1C=CCCC1)CC(=O)NCC#N ZINC001266286178 790409362 /nfs/dbraw/zinc/40/93/62/790409362.db2.gz BQAAEJLXUJSNGU-CYBMUJFWSA-N 1 2 292.383 0.421 20 30 CCEDLO C[N@@H+](CCNC(=O)C[C@@H]1C=CCCC1)CC(=O)NCC#N ZINC001266286178 790409368 /nfs/dbraw/zinc/40/93/68/790409368.db2.gz BQAAEJLXUJSNGU-CYBMUJFWSA-N 1 2 292.383 0.421 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001266320029 790500205 /nfs/dbraw/zinc/50/02/05/790500205.db2.gz XHACWMKLODSCNR-ZDUSSCGKSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001266320029 790500212 /nfs/dbraw/zinc/50/02/12/790500212.db2.gz XHACWMKLODSCNR-ZDUSSCGKSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001266332512 790525456 /nfs/dbraw/zinc/52/54/56/790525456.db2.gz PPDNNEHWTWPUAM-GFCCVEGCSA-N 1 2 267.373 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001266332512 790525466 /nfs/dbraw/zinc/52/54/66/790525466.db2.gz PPDNNEHWTWPUAM-GFCCVEGCSA-N 1 2 267.373 0.076 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](COC)OC ZINC001266494391 790786565 /nfs/dbraw/zinc/78/65/65/790786565.db2.gz QEQYCQHEQNWKFD-MJBXVCDLSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](COC)OC ZINC001266494391 790786572 /nfs/dbraw/zinc/78/65/72/790786572.db2.gz QEQYCQHEQNWKFD-MJBXVCDLSA-N 1 2 280.368 0.346 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125370050 790802696 /nfs/dbraw/zinc/80/26/96/790802696.db2.gz HDTDLNGTZNHUAN-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795925 805666689 /nfs/dbraw/zinc/66/66/89/805666689.db2.gz VSCGLPIEQZGLQS-KGLIPLIRSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795925 805666692 /nfs/dbraw/zinc/66/66/92/805666692.db2.gz VSCGLPIEQZGLQS-KGLIPLIRSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001230957261 805698982 /nfs/dbraw/zinc/69/89/82/805698982.db2.gz FBLUUSLBZLXTPO-CHWSQXEVSA-N 1 2 252.358 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001230957261 805698985 /nfs/dbraw/zinc/69/89/85/805698985.db2.gz FBLUUSLBZLXTPO-CHWSQXEVSA-N 1 2 252.358 0.967 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231209540 805751325 /nfs/dbraw/zinc/75/13/25/805751325.db2.gz WJMLNSZNCFYGRP-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231209540 805751328 /nfs/dbraw/zinc/75/13/28/805751328.db2.gz WJMLNSZNCFYGRP-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231245871 805759974 /nfs/dbraw/zinc/75/99/74/805759974.db2.gz BPHUNOKOVGDLDO-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231245871 805759979 /nfs/dbraw/zinc/75/99/79/805759979.db2.gz BPHUNOKOVGDLDO-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C1C[NH+](CCOCC2CC2)C1 ZINC001277585330 805866237 /nfs/dbraw/zinc/86/62/37/805866237.db2.gz ACPCIBPWICNXQX-INIZCTEOSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COc2c(C)nn(C)c2C)C1 ZINC001277597845 805880253 /nfs/dbraw/zinc/88/02/53/805880253.db2.gz MMAHZHMDUSVVIT-UHFFFAOYSA-N 1 2 292.383 0.744 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001277666607 805938416 /nfs/dbraw/zinc/93/84/16/805938416.db2.gz RSROJLITXJOKPD-ZDUSSCGKSA-N 1 2 284.400 0.739 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCCO1 ZINC001232926131 805996979 /nfs/dbraw/zinc/99/69/79/805996979.db2.gz CLRSPGJGIDOVKA-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCCO1 ZINC001232926131 805996988 /nfs/dbraw/zinc/99/69/88/805996988.db2.gz CLRSPGJGIDOVKA-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COCC#CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001266706463 791161559 /nfs/dbraw/zinc/16/15/59/791161559.db2.gz PMMWRNLAPHAWDM-SECBINFHSA-N 1 2 284.253 0.585 20 30 CCEDLO COCC#CC[NH2+]CCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001266706463 791161563 /nfs/dbraw/zinc/16/15/63/791161563.db2.gz PMMWRNLAPHAWDM-SECBINFHSA-N 1 2 284.253 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C1 ZINC001083220676 791239117 /nfs/dbraw/zinc/23/91/17/791239117.db2.gz LOKYOBDVVBPSRJ-XUWVNRHRSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C1 ZINC001083220676 791239127 /nfs/dbraw/zinc/23/91/27/791239127.db2.gz LOKYOBDVVBPSRJ-XUWVNRHRSA-N 1 2 288.391 0.967 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266948773 791384525 /nfs/dbraw/zinc/38/45/25/791384525.db2.gz KZVYNIBRVIEUNH-WDEREUQCSA-N 1 2 261.329 0.063 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140546297 791518191 /nfs/dbraw/zinc/51/81/91/791518191.db2.gz CMCVVNMPQMAMOC-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001100589628 791603069 /nfs/dbraw/zinc/60/30/69/791603069.db2.gz IGFAERAHUQCCBP-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO Cc1nocc1C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267189374 791647556 /nfs/dbraw/zinc/64/75/56/791647556.db2.gz UXSYNOKOVHCQOO-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1nocc1C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267189374 791647558 /nfs/dbraw/zinc/64/75/58/791647558.db2.gz UXSYNOKOVHCQOO-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001267197360 791659981 /nfs/dbraw/zinc/65/99/81/791659981.db2.gz LFZOXWNZTNJCQD-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001267197360 791659989 /nfs/dbraw/zinc/65/99/89/791659989.db2.gz LFZOXWNZTNJCQD-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@@H+](C)CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001267205369 791672389 /nfs/dbraw/zinc/67/23/89/791672389.db2.gz JFHIPSMWHYUWGN-UHFFFAOYSA-N 1 2 292.383 0.056 20 30 CCEDLO C#CC[N@H+](C)CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001267205369 791672393 /nfs/dbraw/zinc/67/23/93/791672393.db2.gz JFHIPSMWHYUWGN-UHFFFAOYSA-N 1 2 292.383 0.056 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233762198 806117817 /nfs/dbraw/zinc/11/78/17/806117817.db2.gz QVPSLVLHEYGXGS-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233762198 806117821 /nfs/dbraw/zinc/11/78/21/806117821.db2.gz QVPSLVLHEYGXGS-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO CCOC(=O)C[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2(C#N)CCC2)C1 ZINC001277815284 806139405 /nfs/dbraw/zinc/13/94/05/806139405.db2.gz VCZVGOQUNIJLKF-IAQYHMDHSA-N 1 2 291.351 0.434 20 30 CCEDLO CCOC(=O)C[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2(C#N)CCC2)C1 ZINC001277815284 806139412 /nfs/dbraw/zinc/13/94/12/806139412.db2.gz VCZVGOQUNIJLKF-IAQYHMDHSA-N 1 2 291.351 0.434 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4[nH]nc(N)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233958012 806157800 /nfs/dbraw/zinc/15/78/00/806157800.db2.gz AZTLMEFJASVUGI-MOGLMSHVSA-N 1 2 287.323 0.531 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4[nH]nc(N)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233958012 806157806 /nfs/dbraw/zinc/15/78/06/806157806.db2.gz AZTLMEFJASVUGI-MOGLMSHVSA-N 1 2 287.323 0.531 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233977782 806160961 /nfs/dbraw/zinc/16/09/61/806160961.db2.gz PDDUFLWUBUSVLF-WCQYABFASA-N 1 2 258.337 0.816 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233977782 806160966 /nfs/dbraw/zinc/16/09/66/806160966.db2.gz PDDUFLWUBUSVLF-WCQYABFASA-N 1 2 258.337 0.816 20 30 CCEDLO Cn1ccc(=O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001234028026 806170501 /nfs/dbraw/zinc/17/05/01/806170501.db2.gz ADJOEGWOEMLVAB-OTDFPYDRSA-N 1 2 262.309 0.377 20 30 CCEDLO Cn1ccc(=O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001234028026 806170505 /nfs/dbraw/zinc/17/05/05/806170505.db2.gz ADJOEGWOEMLVAB-OTDFPYDRSA-N 1 2 262.309 0.377 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001234536778 806268045 /nfs/dbraw/zinc/26/80/45/806268045.db2.gz HBJMYXCKNCWUDO-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001234536778 806268052 /nfs/dbraw/zinc/26/80/52/806268052.db2.gz HBJMYXCKNCWUDO-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCOCC1 ZINC001235105139 806370553 /nfs/dbraw/zinc/37/05/53/806370553.db2.gz IYOSYORHBQVXND-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCOCC1 ZINC001235105139 806370560 /nfs/dbraw/zinc/37/05/60/806370560.db2.gz IYOSYORHBQVXND-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC#C)CCOCC1 ZINC001235140999 806378257 /nfs/dbraw/zinc/37/82/57/806378257.db2.gz IQOSUWUHWUVTHA-HNNXBMFYSA-N 1 2 288.391 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC#C)CCOCC1 ZINC001235140999 806378264 /nfs/dbraw/zinc/37/82/64/806378264.db2.gz IQOSUWUHWUVTHA-HNNXBMFYSA-N 1 2 288.391 0.972 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(C)oc1C ZINC001278054878 806640813 /nfs/dbraw/zinc/64/08/13/806640813.db2.gz XOOZBBSDWJLNAW-LBPRGKRZSA-N 1 2 281.356 0.824 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccn1 ZINC001237465780 806671202 /nfs/dbraw/zinc/67/12/02/806671202.db2.gz LCDOKHNKIABAFQ-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccn1 ZINC001237465780 806671206 /nfs/dbraw/zinc/67/12/06/806671206.db2.gz LCDOKHNKIABAFQ-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H](O)CO ZINC001237523771 806678710 /nfs/dbraw/zinc/67/87/10/806678710.db2.gz CPLOSEUCLMUWRD-SNVBAGLBSA-N 1 2 256.252 0.621 20 30 CCEDLO C[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H](O)CO ZINC001237523771 806678713 /nfs/dbraw/zinc/67/87/13/806678713.db2.gz CPLOSEUCLMUWRD-SNVBAGLBSA-N 1 2 256.252 0.621 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNCC(F)(F)C(F)F ZINC001120511816 798841475 /nfs/dbraw/zinc/84/14/75/798841475.db2.gz WVBLNYXXVVWOTB-MRVPVSSYSA-N 1 2 271.258 0.683 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNCC(F)(F)C(F)F ZINC001120511816 798841481 /nfs/dbraw/zinc/84/14/81/798841481.db2.gz WVBLNYXXVVWOTB-MRVPVSSYSA-N 1 2 271.258 0.683 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[S@@](C)=O)C1 ZINC001122106832 799145348 /nfs/dbraw/zinc/14/53/48/799145348.db2.gz VGAGWPBEQHVLKE-HXPMCKFVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[S@@](C)=O)C1 ZINC001122106832 799145351 /nfs/dbraw/zinc/14/53/51/799145351.db2.gz VGAGWPBEQHVLKE-HXPMCKFVSA-N 1 2 285.413 0.152 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123786936 799473981 /nfs/dbraw/zinc/47/39/81/799473981.db2.gz HJIOKXLXQLVKEP-UHFFFAOYSA-N 1 2 297.384 0.656 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001124632117 799621122 /nfs/dbraw/zinc/62/11/22/799621122.db2.gz XPSRMTKAMXREHS-UHFFFAOYSA-N 1 2 282.344 0.431 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)ccc1C#N ZINC001141931843 800047793 /nfs/dbraw/zinc/04/77/93/800047793.db2.gz NHXAQVIHQLKANM-WCQYABFASA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)ccc1C#N ZINC001141931843 800047802 /nfs/dbraw/zinc/04/78/02/800047802.db2.gz NHXAQVIHQLKANM-WCQYABFASA-N 1 2 293.392 0.850 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001153097987 800596227 /nfs/dbraw/zinc/59/62/27/800596227.db2.gz YGRJLCZAWHMAGR-SNVBAGLBSA-N 1 2 294.355 0.744 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001153135509 800600405 /nfs/dbraw/zinc/60/04/05/800600405.db2.gz VOCIHELOIODYPK-JTQLQIEISA-N 1 2 282.344 0.429 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC001153786109 800665907 /nfs/dbraw/zinc/66/59/07/800665907.db2.gz QJJYTVUGHJTYAH-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154092020 800719018 /nfs/dbraw/zinc/71/90/18/800719018.db2.gz AECKLGZWDHZPMZ-OLZOCXBDSA-N 1 2 289.383 0.796 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCOC[C@H]3C#N)sc2C1 ZINC001154219436 800742835 /nfs/dbraw/zinc/74/28/35/800742835.db2.gz WJTIQEKAGRCTNN-SECBINFHSA-N 1 2 292.364 0.496 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCOC[C@H]3C#N)sc2C1 ZINC001154219436 800742839 /nfs/dbraw/zinc/74/28/39/800742839.db2.gz WJTIQEKAGRCTNN-SECBINFHSA-N 1 2 292.364 0.496 20 30 CCEDLO COc1cc(NC[C@H]2C[N@H+](C)CCO2)ncc1C#N ZINC001155194089 800926896 /nfs/dbraw/zinc/92/68/96/800926896.db2.gz OAIURKBWTFYVTE-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC001155194089 800926900 /nfs/dbraw/zinc/92/69/00/800926900.db2.gz OAIURKBWTFYVTE-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001155731621 801045040 /nfs/dbraw/zinc/04/50/40/801045040.db2.gz DCGSWYOVSPEMIL-UHFFFAOYSA-N 1 2 294.355 0.746 20 30 CCEDLO COC(=O)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(C#N)c1 ZINC001239292080 806880461 /nfs/dbraw/zinc/88/04/61/806880461.db2.gz WYKBPEXJZLPYQF-LBPRGKRZSA-N 1 2 288.307 0.537 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC#N)c(C)n2)C[NH2+]1 ZINC001156249702 801140163 /nfs/dbraw/zinc/14/01/63/801140163.db2.gz PHZDJJURMPYLHJ-RYUDHWBXSA-N 1 2 274.324 0.772 20 30 CCEDLO CCN(CC)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncn1 ZINC001156327489 801150854 /nfs/dbraw/zinc/15/08/54/801150854.db2.gz BDXDWWWSNFULOX-NSHDSACASA-N 1 2 260.345 0.625 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(C)c(C)cc1C#N ZINC001157770595 801476355 /nfs/dbraw/zinc/47/63/55/801476355.db2.gz NGNGWYFJQSBBJU-ZDUSSCGKSA-N 1 2 288.351 0.864 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(C)c(C)cc1C#N ZINC001157770595 801476358 /nfs/dbraw/zinc/47/63/58/801476358.db2.gz NGNGWYFJQSBBJU-ZDUSSCGKSA-N 1 2 288.351 0.864 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nccnc1C#N ZINC001160691778 802003989 /nfs/dbraw/zinc/00/39/89/802003989.db2.gz WCUXMGUDBYGVND-SNVBAGLBSA-N 1 2 286.295 0.278 20 30 CCEDLO N#CCNCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160983916 802058161 /nfs/dbraw/zinc/05/81/61/802058161.db2.gz CWRKWUHUKDSYSC-UHFFFAOYSA-N 1 2 257.297 0.796 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCC1=CCN(CC#N)CC1 ZINC001161705880 802203492 /nfs/dbraw/zinc/20/34/92/802203492.db2.gz ZAENGJCXPXDHIH-UHFFFAOYSA-N 1 2 287.367 0.625 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)cnc1C#N ZINC001161946002 802253317 /nfs/dbraw/zinc/25/33/17/802253317.db2.gz QNRRTSIQQCPMAF-ZCFIWIBFSA-N 1 2 269.692 0.304 20 30 CCEDLO C=CCOc1cc(C)nc(NC[C@@H]([NH3+])C(=O)OCC)n1 ZINC001161950102 802255247 /nfs/dbraw/zinc/25/52/47/802255247.db2.gz KMEFVRKBPXZHGX-SNVBAGLBSA-N 1 2 280.328 0.652 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(Cl)cc1C#N ZINC001161949684 802255657 /nfs/dbraw/zinc/25/56/57/802255657.db2.gz DUBMNRCEVQECHY-SECBINFHSA-N 1 2 268.704 0.909 20 30 CCEDLO COc1nc(C)nc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001162682769 802389227 /nfs/dbraw/zinc/38/92/27/802389227.db2.gz GXZUKSMGQRWUEU-JTQLQIEISA-N 1 2 277.328 0.408 20 30 CCEDLO COc1nc(C)nc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001162682769 802389237 /nfs/dbraw/zinc/38/92/37/802389237.db2.gz GXZUKSMGQRWUEU-JTQLQIEISA-N 1 2 277.328 0.408 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCC2CCC2)C1 ZINC001278850495 808332829 /nfs/dbraw/zinc/33/28/29/808332829.db2.gz DMHKMFWTFFFAKD-UHFFFAOYSA-N 1 2 264.369 0.753 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001264367095 809644555 /nfs/dbraw/zinc/64/45/55/809644555.db2.gz RKGPZIQXAPXHSE-HZSPNIEDSA-N 1 2 264.369 0.825 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001264367095 809644556 /nfs/dbraw/zinc/64/45/56/809644556.db2.gz RKGPZIQXAPXHSE-HZSPNIEDSA-N 1 2 264.369 0.825 20 30 CCEDLO N#CCNC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001280488238 810025733 /nfs/dbraw/zinc/02/57/33/810025733.db2.gz PIMRKLVPGXIUCK-LBPRGKRZSA-N 1 2 287.367 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198555 812355047 /nfs/dbraw/zinc/35/50/47/812355047.db2.gz KTOUOYBCZVXTQI-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198555 812355054 /nfs/dbraw/zinc/35/50/54/812355054.db2.gz KTOUOYBCZVXTQI-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276432313 803055849 /nfs/dbraw/zinc/05/58/49/803055849.db2.gz LPIBNVGYLXIGDN-HZMBPMFUSA-N 1 2 267.373 0.511 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc[nH]1 ZINC001269352448 813337250 /nfs/dbraw/zinc/33/72/50/813337250.db2.gz UMBUTQIWOBTWFZ-CYBMUJFWSA-N 1 2 290.367 0.050 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc[nH]1 ZINC001269352448 813337257 /nfs/dbraw/zinc/33/72/57/813337257.db2.gz UMBUTQIWOBTWFZ-CYBMUJFWSA-N 1 2 290.367 0.050 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CCC1CC1 ZINC001206706097 803280632 /nfs/dbraw/zinc/28/06/32/803280632.db2.gz CBNRVNSAGHSLRJ-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CCC1CC1 ZINC001206706097 803280635 /nfs/dbraw/zinc/28/06/35/803280635.db2.gz CBNRVNSAGHSLRJ-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001276602188 803555957 /nfs/dbraw/zinc/55/59/57/803555957.db2.gz WXJHUTXCGLBBJH-CYBMUJFWSA-N 1 2 293.411 0.882 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001276602188 803555960 /nfs/dbraw/zinc/55/59/60/803555960.db2.gz WXJHUTXCGLBBJH-CYBMUJFWSA-N 1 2 293.411 0.882 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2C)CC1 ZINC001209561933 803613093 /nfs/dbraw/zinc/61/30/93/803613093.db2.gz PRXXBXIMAKQKHB-UHFFFAOYSA-N 1 2 262.313 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CCOC)[C@H](OC)C1 ZINC001213221874 803687120 /nfs/dbraw/zinc/68/71/20/803687120.db2.gz UAWYFRKEDITWAZ-FMKPAKJESA-N 1 2 294.395 0.664 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CCOC)[C@H](OC)C1 ZINC001213221874 803687122 /nfs/dbraw/zinc/68/71/22/803687122.db2.gz UAWYFRKEDITWAZ-FMKPAKJESA-N 1 2 294.395 0.664 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213268734 803687439 /nfs/dbraw/zinc/68/74/39/803687439.db2.gz QHSGGZUQCHWPNI-ZIAGYGMSSA-N 1 2 294.395 0.664 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213268734 803687443 /nfs/dbraw/zinc/68/74/43/803687443.db2.gz QHSGGZUQCHWPNI-ZIAGYGMSSA-N 1 2 294.395 0.664 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@]1(C)C=CCC1 ZINC001272087174 814958122 /nfs/dbraw/zinc/95/81/22/814958122.db2.gz MPGKVOAHVVKVLE-INIZCTEOSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)C=CCC1 ZINC001272087174 814958124 /nfs/dbraw/zinc/95/81/24/814958124.db2.gz MPGKVOAHVVKVLE-INIZCTEOSA-N 1 2 291.395 0.482 20 30 CCEDLO N#Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c([O-])cc1F ZINC001219068486 804190056 /nfs/dbraw/zinc/19/00/56/804190056.db2.gz VNOTUBHTDKCZMD-RULNRJAQSA-N 1 2 290.298 0.563 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219299411 804262245 /nfs/dbraw/zinc/26/22/45/804262245.db2.gz BCLLPYFQAQWIAM-SADRXWBLSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219299411 804262254 /nfs/dbraw/zinc/26/22/54/804262254.db2.gz BCLLPYFQAQWIAM-SADRXWBLSA-N 1 2 280.368 0.154 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219378657 804289942 /nfs/dbraw/zinc/28/99/42/804289942.db2.gz BKQSUCTUJZBRRV-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219378657 804289947 /nfs/dbraw/zinc/28/99/47/804289947.db2.gz BKQSUCTUJZBRRV-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C#N)c1ccccc1 ZINC001219557683 804348786 /nfs/dbraw/zinc/34/87/86/804348786.db2.gz BWMLKQRNNMGKSN-WDEREUQCSA-N 1 2 261.281 0.258 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219580825 804358194 /nfs/dbraw/zinc/35/81/94/804358194.db2.gz AQXSHNRZXDJNFW-CABCVRRESA-N 1 2 287.363 0.402 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219580825 804358201 /nfs/dbraw/zinc/35/82/01/804358201.db2.gz AQXSHNRZXDJNFW-CABCVRRESA-N 1 2 287.363 0.402 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220133978 804507894 /nfs/dbraw/zinc/50/78/94/804507894.db2.gz UJJNXTLHRNATOH-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220133978 804507897 /nfs/dbraw/zinc/50/78/97/804507897.db2.gz UJJNXTLHRNATOH-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)[C@@H](O)C1 ZINC001220455291 804607345 /nfs/dbraw/zinc/60/73/45/804607345.db2.gz AJXJVGLFOPTQDK-ILXRZTDVSA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)[C@@H](O)C1 ZINC001220455291 804607351 /nfs/dbraw/zinc/60/73/51/804607351.db2.gz AJXJVGLFOPTQDK-ILXRZTDVSA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC(C)=O)[C@@H]2C1 ZINC001221270326 804762347 /nfs/dbraw/zinc/76/23/47/804762347.db2.gz OKYMXUCQBZLWKK-ZIAGYGMSSA-N 1 2 262.353 0.912 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)=O)[C@@H]2C1 ZINC001221270326 804762349 /nfs/dbraw/zinc/76/23/49/804762349.db2.gz OKYMXUCQBZLWKK-ZIAGYGMSSA-N 1 2 262.353 0.912 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001221735251 804838591 /nfs/dbraw/zinc/83/85/91/804838591.db2.gz ANDALFLXFRYKBD-AAVRWANBSA-N 1 2 291.395 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001221735251 804838599 /nfs/dbraw/zinc/83/85/99/804838599.db2.gz ANDALFLXFRYKBD-AAVRWANBSA-N 1 2 291.395 0.477 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221753853 804842676 /nfs/dbraw/zinc/84/26/76/804842676.db2.gz QKSIMOOZSNKAJD-BFHYXJOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221753853 804842684 /nfs/dbraw/zinc/84/26/84/804842684.db2.gz QKSIMOOZSNKAJD-BFHYXJOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221795167 804845185 /nfs/dbraw/zinc/84/51/85/804845185.db2.gz MOFKFYAKAMYWPH-CHWSQXEVSA-N 1 2 291.395 0.751 20 30 CCEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221795167 804845189 /nfs/dbraw/zinc/84/51/89/804845189.db2.gz MOFKFYAKAMYWPH-CHWSQXEVSA-N 1 2 291.395 0.751 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001276915925 804988798 /nfs/dbraw/zinc/98/87/98/804988798.db2.gz GBBZVHVBUIEZRZ-UONOGXRCSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001276915925 804988803 /nfs/dbraw/zinc/98/88/03/804988803.db2.gz GBBZVHVBUIEZRZ-UONOGXRCSA-N 1 2 282.384 0.498 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)[C@H]1C ZINC001088638684 815045557 /nfs/dbraw/zinc/04/55/57/815045557.db2.gz ONPMUQVZFZZRKE-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)[C@H]1C ZINC001088638684 815045562 /nfs/dbraw/zinc/04/55/62/815045562.db2.gz ONPMUQVZFZZRKE-UTUOFQBUSA-N 1 2 299.802 0.844 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001276960250 805020989 /nfs/dbraw/zinc/02/09/89/805020989.db2.gz ARPPBLWCRSTZBG-GASCZTMLSA-N 1 2 284.363 0.909 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001276960250 805020999 /nfs/dbraw/zinc/02/09/99/805020999.db2.gz ARPPBLWCRSTZBG-GASCZTMLSA-N 1 2 284.363 0.909 20 30 CCEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(CO)n1 ZINC001225288292 805120122 /nfs/dbraw/zinc/12/01/22/805120122.db2.gz YGMZELFZQFGQLW-HJTUNCCVSA-N 1 2 276.336 0.874 20 30 CCEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(CO)n1 ZINC001225288292 805120124 /nfs/dbraw/zinc/12/01/24/805120124.db2.gz YGMZELFZQFGQLW-HJTUNCCVSA-N 1 2 276.336 0.874 20 30 CCEDLO COC(=O)c1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226753712 805278428 /nfs/dbraw/zinc/27/84/28/805278428.db2.gz JWMMQLXZENPKPA-GQTXGERZSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226753712 805278433 /nfs/dbraw/zinc/27/84/33/805278433.db2.gz JWMMQLXZENPKPA-GQTXGERZSA-N 1 2 290.319 0.859 20 30 CCEDLO C=CCNC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001277173046 805307929 /nfs/dbraw/zinc/30/79/29/805307929.db2.gz WESFSWYVPZRDBG-UHFFFAOYSA-N 1 2 283.372 0.510 20 30 CCEDLO C=CCNC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001277173046 805307936 /nfs/dbraw/zinc/30/79/36/805307936.db2.gz WESFSWYVPZRDBG-UHFFFAOYSA-N 1 2 283.372 0.510 20 30 CCEDLO Cc1ncc(C#N)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251007708 807638437 /nfs/dbraw/zinc/63/84/37/807638437.db2.gz XVSUFNRWOYTSLA-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)s1 ZINC001251011553 807641618 /nfs/dbraw/zinc/64/16/18/807641618.db2.gz MYTDOHNPXRVGLL-JTQLQIEISA-N 1 2 267.354 0.725 20 30 CCEDLO COc1ccc(C#N)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251028465 807648044 /nfs/dbraw/zinc/64/80/44/807648044.db2.gz GDTDCJPHSQDRMB-CYBMUJFWSA-N 1 2 291.351 0.672 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001251821758 807709715 /nfs/dbraw/zinc/70/97/15/807709715.db2.gz XFJCWKUQGXLIDF-LBPRGKRZSA-N 1 2 284.356 0.206 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001251857398 807723636 /nfs/dbraw/zinc/72/36/36/807723636.db2.gz BTNOLORMXPQQFZ-OAHLLOKOSA-N 1 2 291.347 0.672 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001251857398 807723640 /nfs/dbraw/zinc/72/36/40/807723640.db2.gz BTNOLORMXPQQFZ-OAHLLOKOSA-N 1 2 291.347 0.672 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126828190 815142249 /nfs/dbraw/zinc/14/22/49/815142249.db2.gz MYDURTMDDOQINU-LLVKDONJSA-N 1 2 294.355 0.642 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC001252468344 807879330 /nfs/dbraw/zinc/87/93/30/807879330.db2.gz MRJDUFMLZOFNNY-NSHDSACASA-N 1 2 282.306 0.730 20 30 CCEDLO C=C[C@](C)(O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001252571613 807913633 /nfs/dbraw/zinc/91/36/33/807913633.db2.gz ALGRBCXWYJRACK-YPMHNXCESA-N 1 2 257.330 0.481 20 30 CCEDLO C=C[C@](C)(O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252582881 807914716 /nfs/dbraw/zinc/91/47/16/807914716.db2.gz YKBWWOLXRBWTKV-AAEUAGOBSA-N 1 2 267.329 0.031 20 30 CCEDLO C=CC[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC001253451673 808069699 /nfs/dbraw/zinc/06/96/99/808069699.db2.gz CZOKXMPCDFOMBZ-CYBMUJFWSA-N 1 2 256.390 0.966 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253794939 808142905 /nfs/dbraw/zinc/14/29/05/808142905.db2.gz LCRKPTFSDVQNQA-WDEREUQCSA-N 1 2 285.365 0.575 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253794939 808142907 /nfs/dbraw/zinc/14/29/07/808142907.db2.gz LCRKPTFSDVQNQA-WDEREUQCSA-N 1 2 285.365 0.575 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001083524495 815210365 /nfs/dbraw/zinc/21/03/65/815210365.db2.gz XBKWPERTJJIQJW-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001083524495 815210371 /nfs/dbraw/zinc/21/03/71/815210371.db2.gz XBKWPERTJJIQJW-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccn2C(C)C)C1 ZINC001278931645 808511440 /nfs/dbraw/zinc/51/14/40/808511440.db2.gz GQMOQXGSDPRQRW-UHFFFAOYSA-N 1 2 289.379 0.869 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](O)C1 ZINC001083532273 815227629 /nfs/dbraw/zinc/22/76/29/815227629.db2.gz GSJOJMCDMJULEQ-MNOVXSKESA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](O)C1 ZINC001083532273 815227632 /nfs/dbraw/zinc/22/76/32/815227632.db2.gz GSJOJMCDMJULEQ-MNOVXSKESA-N 1 2 277.324 0.513 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001261348282 808958217 /nfs/dbraw/zinc/95/82/17/808958217.db2.gz CLOCGTNPRPLQQN-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](O)C1 ZINC001083543831 815260090 /nfs/dbraw/zinc/26/00/90/815260090.db2.gz SEOCHRDSOGRCBR-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](O)C1 ZINC001083543831 815260092 /nfs/dbraw/zinc/26/00/92/815260092.db2.gz SEOCHRDSOGRCBR-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001262346402 809284744 /nfs/dbraw/zinc/28/47/44/809284744.db2.gz SQKINYMHKMFZEC-BREBYQMCSA-N 1 2 260.297 0.654 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001262346402 809284747 /nfs/dbraw/zinc/28/47/47/809284747.db2.gz SQKINYMHKMFZEC-BREBYQMCSA-N 1 2 260.297 0.654 20 30 CCEDLO C#CC1(O)CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001262365410 809291909 /nfs/dbraw/zinc/29/19/09/809291909.db2.gz BCCRVYPVZBMQHU-LBPRGKRZSA-N 1 2 286.335 0.050 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCc1nc(C#N)cs1 ZINC001262382531 809298860 /nfs/dbraw/zinc/29/88/60/809298860.db2.gz YOQVHKOCRBEJJO-UHFFFAOYSA-N 1 2 261.310 0.607 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H]1CC ZINC001264611442 809665118 /nfs/dbraw/zinc/66/51/18/809665118.db2.gz IHCCRYBCZVBOTB-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H]1CC ZINC001264611442 809665120 /nfs/dbraw/zinc/66/51/20/809665120.db2.gz IHCCRYBCZVBOTB-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO COCCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265257707 809733109 /nfs/dbraw/zinc/73/31/09/809733109.db2.gz KYEBPUHWFMXOJP-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001265401594 809773063 /nfs/dbraw/zinc/77/30/63/809773063.db2.gz YVRLYSGYMIMXJJ-MELADBBJSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001265401594 809773065 /nfs/dbraw/zinc/77/30/65/809773065.db2.gz YVRLYSGYMIMXJJ-MELADBBJSA-N 1 2 291.395 0.600 20 30 CCEDLO N#CCNC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265627520 809816043 /nfs/dbraw/zinc/81/60/43/809816043.db2.gz CWRBGNKYDDWUQF-LLVKDONJSA-N 1 2 261.329 0.304 20 30 CCEDLO N#CCNC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265627521 809816094 /nfs/dbraw/zinc/81/60/94/809816094.db2.gz CWRBGNKYDDWUQF-NSHDSACASA-N 1 2 261.329 0.304 20 30 CCEDLO N#CCN1CCC(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001279368243 809975920 /nfs/dbraw/zinc/97/59/20/809975920.db2.gz KYGINGGTNILPLR-UHFFFAOYSA-N 1 2 287.367 0.767 20 30 CCEDLO CC(C)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001279493641 809983933 /nfs/dbraw/zinc/98/39/33/809983933.db2.gz VNNASPWFJIRIBL-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO CC(C)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001279493641 809983935 /nfs/dbraw/zinc/98/39/35/809983935.db2.gz VNNASPWFJIRIBL-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO C[C@H](CC(=O)NC[C@@H]1CCCN1CC#N)n1cc[nH+]c1 ZINC001267278581 811085485 /nfs/dbraw/zinc/08/54/85/811085485.db2.gz MONDDPOCIYXRLS-OLZOCXBDSA-N 1 2 275.356 0.938 20 30 CCEDLO N#CCCN1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724745968 811087542 /nfs/dbraw/zinc/08/75/42/811087542.db2.gz NMCYRALSXDIMOB-SECBINFHSA-N 1 2 260.288 0.027 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001077019187 815432137 /nfs/dbraw/zinc/43/21/37/815432137.db2.gz MNMWOJYTXLLNSA-LPWJVIDDSA-N 1 2 286.347 0.098 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001077019187 815432140 /nfs/dbraw/zinc/43/21/40/815432140.db2.gz MNMWOJYTXLLNSA-LPWJVIDDSA-N 1 2 286.347 0.098 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001077123333 815449153 /nfs/dbraw/zinc/44/91/53/815449153.db2.gz ARSLXKKHPULMIM-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001077123333 815449155 /nfs/dbraw/zinc/44/91/55/815449155.db2.gz ARSLXKKHPULMIM-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001077137154 815450053 /nfs/dbraw/zinc/45/00/53/815450053.db2.gz HBXMWDPYMZARSG-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001077137154 815450054 /nfs/dbraw/zinc/45/00/54/815450054.db2.gz HBXMWDPYMZARSG-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C=CCCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267574471 811467547 /nfs/dbraw/zinc/46/75/47/811467547.db2.gz IJZQRYNLUWYWDL-UHFFFAOYSA-N 1 2 278.400 0.942 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625946 811584253 /nfs/dbraw/zinc/58/42/53/811584253.db2.gz IIVFOLCOYDCCIE-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625946 811584259 /nfs/dbraw/zinc/58/42/59/811584259.db2.gz IIVFOLCOYDCCIE-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001267634492 811592441 /nfs/dbraw/zinc/59/24/41/811592441.db2.gz BFZUBPNWMPANAY-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001267634492 811592447 /nfs/dbraw/zinc/59/24/47/811592447.db2.gz BFZUBPNWMPANAY-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2c[nH]nc2C)C1 ZINC001267655931 811622987 /nfs/dbraw/zinc/62/29/87/811622987.db2.gz VBUSQJSKMQAGSQ-UHFFFAOYSA-N 1 2 264.329 0.335 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001267717580 811680125 /nfs/dbraw/zinc/68/01/25/811680125.db2.gz AAAZFKCIYDAOQT-KBPBESRZSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001267717580 811680133 /nfs/dbraw/zinc/68/01/33/811680133.db2.gz AAAZFKCIYDAOQT-KBPBESRZSA-N 1 2 289.379 0.283 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001267722244 811685473 /nfs/dbraw/zinc/68/54/73/811685473.db2.gz BLWIIUZAPZLIPQ-LBPRGKRZSA-N 1 2 278.356 0.313 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001267722244 811685477 /nfs/dbraw/zinc/68/54/77/811685477.db2.gz BLWIIUZAPZLIPQ-LBPRGKRZSA-N 1 2 278.356 0.313 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001077293929 815475117 /nfs/dbraw/zinc/47/51/17/815475117.db2.gz QOSPYMSUISQUDS-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001077293929 815475120 /nfs/dbraw/zinc/47/51/20/815475120.db2.gz QOSPYMSUISQUDS-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[NH2+]C[C@@](C)(NC(=O)c1[nH]ncc1F)C1CC1 ZINC001267858753 811838394 /nfs/dbraw/zinc/83/83/94/811838394.db2.gz VNGAMAKTBJBVDS-CYBMUJFWSA-N 1 2 264.304 0.670 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(CNCC#N)C1CC1 ZINC001267860729 811840304 /nfs/dbraw/zinc/84/03/04/811840304.db2.gz QNKFOLAFBLBHRK-IAQYHMDHSA-N 1 2 289.383 0.986 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(CNCC#N)C1CC1 ZINC001267860729 811840312 /nfs/dbraw/zinc/84/03/12/811840312.db2.gz QNKFOLAFBLBHRK-IAQYHMDHSA-N 1 2 289.383 0.986 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3C)C2)nn1 ZINC001105144526 811857492 /nfs/dbraw/zinc/85/74/92/811857492.db2.gz GOYWSJOLRGBXJG-RISCZKNCSA-N 1 2 287.367 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001105144524 811857560 /nfs/dbraw/zinc/85/75/60/811857560.db2.gz GOYWSJOLRGBXJG-BXUZGUMPSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(C)CC3)C2)nn1 ZINC001105283034 811890489 /nfs/dbraw/zinc/89/04/89/811890489.db2.gz BBYGQCUOUVQFGI-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001077385771 815490974 /nfs/dbraw/zinc/49/09/74/815490974.db2.gz JDLPIPRAJKRLPZ-BRWVUGGUSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001077385771 815490977 /nfs/dbraw/zinc/49/09/77/815490977.db2.gz JDLPIPRAJKRLPZ-BRWVUGGUSA-N 1 2 298.386 0.975 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2ccn(C)n2)C1 ZINC001268022811 811975417 /nfs/dbraw/zinc/97/54/17/811975417.db2.gz YONKJQSZAPBVGB-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2ccn(C)n2)C1 ZINC001268022811 811975419 /nfs/dbraw/zinc/97/54/19/811975419.db2.gz YONKJQSZAPBVGB-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)nn1 ZINC001105340502 812061782 /nfs/dbraw/zinc/06/17/82/812061782.db2.gz BWAIZUDZLYHNSA-LSDHHAIUSA-N 1 2 299.378 0.430 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](O)C1 ZINC001083589859 815514838 /nfs/dbraw/zinc/51/48/38/815514838.db2.gz CGQVUHYBYSKAPN-KGLIPLIRSA-N 1 2 287.363 0.154 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](O)C1 ZINC001083589859 815514843 /nfs/dbraw/zinc/51/48/43/815514843.db2.gz CGQVUHYBYSKAPN-KGLIPLIRSA-N 1 2 287.363 0.154 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130750 812301318 /nfs/dbraw/zinc/30/13/18/812301318.db2.gz UZWZQXRQNMZWFT-RYUDHWBXSA-N 1 2 287.367 0.934 20 30 CCEDLO N#CCNCC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001268168311 812333425 /nfs/dbraw/zinc/33/34/25/812333425.db2.gz VWIBXPQZWHWZGM-LBPRGKRZSA-N 1 2 275.356 0.837 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](O)C1 ZINC001083589590 815514542 /nfs/dbraw/zinc/51/45/42/815514542.db2.gz OUAGJMBOXOADEJ-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](O)C1 ZINC001083589590 815514545 /nfs/dbraw/zinc/51/45/45/815514545.db2.gz OUAGJMBOXOADEJ-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1COC ZINC001038913536 812337178 /nfs/dbraw/zinc/33/71/78/812337178.db2.gz PGWFPCMOHHFWEO-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1COC ZINC001038913536 812337185 /nfs/dbraw/zinc/33/71/85/812337185.db2.gz PGWFPCMOHHFWEO-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCC)C1 ZINC001268193626 812354125 /nfs/dbraw/zinc/35/41/25/812354125.db2.gz ANJCLMBVDPKDJB-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCC)C1 ZINC001268193626 812354134 /nfs/dbraw/zinc/35/41/34/812354134.db2.gz ANJCLMBVDPKDJB-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO N#Cc1cccnc1N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001058919248 812382446 /nfs/dbraw/zinc/38/24/46/812382446.db2.gz FQNLOYYGTBTEGC-ZDUSSCGKSA-N 1 2 296.334 0.863 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001058919556 812385929 /nfs/dbraw/zinc/38/59/29/812385929.db2.gz WUVRHJYDABHFSJ-AWEZNQCLSA-N 1 2 296.334 0.863 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001268237773 812402199 /nfs/dbraw/zinc/40/21/99/812402199.db2.gz PAXMJVVKVMEJJZ-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001268237773 812402203 /nfs/dbraw/zinc/40/22/03/812402203.db2.gz PAXMJVVKVMEJJZ-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](O)C1 ZINC001083608199 815536874 /nfs/dbraw/zinc/53/68/74/815536874.db2.gz JTSFOFJLYULBHS-CABCVRRESA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](O)C1 ZINC001083608199 815536877 /nfs/dbraw/zinc/53/68/77/815536877.db2.gz JTSFOFJLYULBHS-CABCVRRESA-N 1 2 285.347 0.367 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](O)C1 ZINC001083615670 815550168 /nfs/dbraw/zinc/55/01/68/815550168.db2.gz DFKZSJRFTWDXIW-MNOVXSKESA-N 1 2 296.396 0.452 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](O)C1 ZINC001083615670 815550171 /nfs/dbraw/zinc/55/01/71/815550171.db2.gz DFKZSJRFTWDXIW-MNOVXSKESA-N 1 2 296.396 0.452 20 30 CCEDLO C=CCCC(=O)NC/C=C/C[NH2+][C@@H](C)c1nnnn1C ZINC001268525079 812770053 /nfs/dbraw/zinc/77/00/53/812770053.db2.gz QVQCKSUBJOPGDE-MLRMMBSGSA-N 1 2 278.360 0.499 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001126377558 812807608 /nfs/dbraw/zinc/80/76/08/812807608.db2.gz CCLASIGWWDZQHJ-RNCFNFMXSA-N 1 2 282.344 0.472 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001268704546 813023674 /nfs/dbraw/zinc/02/36/74/813023674.db2.gz IEFRMUKSVVPZCW-WCQGTBRESA-N 1 2 294.355 0.563 20 30 CCEDLO C#CC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001268941787 813151546 /nfs/dbraw/zinc/15/15/46/813151546.db2.gz GNTGSQYQDHJCSI-UHFFFAOYSA-N 1 2 257.293 0.065 20 30 CCEDLO C#CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001268945090 813153459 /nfs/dbraw/zinc/15/34/59/813153459.db2.gz ZKDXWSAZJYFLBV-STQMWFEESA-N 1 2 272.352 0.711 20 30 CCEDLO C#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001268945090 813153462 /nfs/dbraw/zinc/15/34/62/813153462.db2.gz ZKDXWSAZJYFLBV-STQMWFEESA-N 1 2 272.352 0.711 20 30 CCEDLO CCCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269087905 813210255 /nfs/dbraw/zinc/21/02/55/813210255.db2.gz GCMJOTVXTGRQEL-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269087905 813210256 /nfs/dbraw/zinc/21/02/56/813210256.db2.gz GCMJOTVXTGRQEL-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001127046667 815602728 /nfs/dbraw/zinc/60/27/28/815602728.db2.gz UKENCLYQZGNLEH-JTQLQIEISA-N 1 2 298.774 0.318 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001269204707 813263582 /nfs/dbraw/zinc/26/35/82/813263582.db2.gz DYWZSYLAOBRWMA-AAEUAGOBSA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001269204707 813263587 /nfs/dbraw/zinc/26/35/87/813263587.db2.gz DYWZSYLAOBRWMA-AAEUAGOBSA-N 1 2 279.384 0.810 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001269247867 813289862 /nfs/dbraw/zinc/28/98/62/813289862.db2.gz KMQNGLMXTBEBBR-CJNGLKHVSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001269247867 813289868 /nfs/dbraw/zinc/28/98/68/813289868.db2.gz KMQNGLMXTBEBBR-CJNGLKHVSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001269326198 813326455 /nfs/dbraw/zinc/32/64/55/813326455.db2.gz HFLFDBONRGXJSN-OCCSQVGLSA-N 1 2 274.368 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001269326198 813326461 /nfs/dbraw/zinc/32/64/61/813326461.db2.gz HFLFDBONRGXJSN-OCCSQVGLSA-N 1 2 274.368 0.422 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C2CCC(O)CC2)C1 ZINC001269780310 813505271 /nfs/dbraw/zinc/50/52/71/813505271.db2.gz DURVUIWFFUMJFG-UHFFFAOYSA-N 1 2 296.411 0.883 20 30 CCEDLO N#CCNCC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001269805306 813514257 /nfs/dbraw/zinc/51/42/57/813514257.db2.gz WSVVEFSQPDSYHN-ZDUSSCGKSA-N 1 2 275.356 0.625 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](OC)C2CCC2)C1 ZINC001269825581 813521613 /nfs/dbraw/zinc/52/16/13/813521613.db2.gz IZSODUWPXCHHEE-CQSZACIVSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270577712 813821427 /nfs/dbraw/zinc/82/14/27/813821427.db2.gz SIVHNXSCHBWKIC-SWLSCSKDSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270577712 813821434 /nfs/dbraw/zinc/82/14/34/813821434.db2.gz SIVHNXSCHBWKIC-SWLSCSKDSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)COC)C1 ZINC001270630011 813854514 /nfs/dbraw/zinc/85/45/14/813854514.db2.gz VVRHKRDCHOHXRT-NWDGAFQWSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)COC)C1 ZINC001270630011 813854528 /nfs/dbraw/zinc/85/45/28/813854528.db2.gz VVRHKRDCHOHXRT-NWDGAFQWSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H](C)OC)C1 ZINC001270637363 813863734 /nfs/dbraw/zinc/86/37/34/813863734.db2.gz BJGXTYWPSFAYEQ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H](C)OC)C1 ZINC001270637363 813863743 /nfs/dbraw/zinc/86/37/43/813863743.db2.gz BJGXTYWPSFAYEQ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CSCC#N)o1 ZINC001270896441 814055812 /nfs/dbraw/zinc/05/58/12/814055812.db2.gz RLMMJJJFYWVXOJ-VIFPVBQESA-N 1 2 297.384 0.571 20 30 CCEDLO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154076 814221105 /nfs/dbraw/zinc/22/11/05/814221105.db2.gz XVBBHYPNWLNUJA-PSASIEDQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154076 814221112 /nfs/dbraw/zinc/22/11/12/814221112.db2.gz XVBBHYPNWLNUJA-PSASIEDQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001271154076 814221118 /nfs/dbraw/zinc/22/11/18/814221118.db2.gz XVBBHYPNWLNUJA-PSASIEDQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001271154076 814221122 /nfs/dbraw/zinc/22/11/22/814221122.db2.gz XVBBHYPNWLNUJA-PSASIEDQSA-N 1 2 282.237 0.073 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001271351156 814388917 /nfs/dbraw/zinc/38/89/17/814388917.db2.gz VTEIZLCRGBZBFN-WCQYABFASA-N 1 2 270.373 0.132 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001127051677 815605089 /nfs/dbraw/zinc/60/50/89/815605089.db2.gz LBDXVUUGBFQACN-VHSXEESVSA-N 1 2 280.328 0.183 20 30 CCEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1nc(O)cc(=O)[nH]1 ZINC001228388657 814687161 /nfs/dbraw/zinc/68/71/61/814687161.db2.gz MBXGOKKLQJVDAR-MRVPVSSYSA-O 1 2 253.282 0.255 20 30 CCEDLO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059665894 814698367 /nfs/dbraw/zinc/69/83/67/814698367.db2.gz TZTNFIAJXWSUBT-BETUJISGSA-N 1 2 296.334 0.331 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNc1[nH+]cnc2c1cnn2C ZINC001101544262 814866238 /nfs/dbraw/zinc/86/62/38/814866238.db2.gz SHQFISIYOKPGPG-SECBINFHSA-N 1 2 287.327 0.393 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](O)C1 ZINC001083644654 815591051 /nfs/dbraw/zinc/59/10/51/815591051.db2.gz PWLARUSFMSTELW-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](O)C1 ZINC001083644654 815591053 /nfs/dbraw/zinc/59/10/53/815591053.db2.gz PWLARUSFMSTELW-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001030297990 815964682 /nfs/dbraw/zinc/96/46/82/815964682.db2.gz PHZAMEFPZMNYKO-UHFFFAOYSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001030316439 815973023 /nfs/dbraw/zinc/97/30/23/815973023.db2.gz GYVKGNNUSSZZGW-CYBMUJFWSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CCN1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030349782 815989915 /nfs/dbraw/zinc/98/99/15/815989915.db2.gz RNQRTVCVFHUGJD-UHFFFAOYSA-N 1 2 272.352 0.196 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2CC(C)C)C1 ZINC001030384510 816006570 /nfs/dbraw/zinc/00/65/70/816006570.db2.gz LLMRSWGNDBKYDI-UHFFFAOYSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001030396003 816012901 /nfs/dbraw/zinc/01/29/01/816012901.db2.gz QASBWTLJPIACCW-CYBMUJFWSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3n(n2)CCC3)C1 ZINC001030406480 816018212 /nfs/dbraw/zinc/01/82/12/816018212.db2.gz INJLUBYJYZCFBU-UHFFFAOYSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001030425040 816031168 /nfs/dbraw/zinc/03/11/68/816031168.db2.gz AJPZIICPVJUJIB-UHFFFAOYSA-N 1 2 299.334 0.111 20 30 CCEDLO C=CCn1cccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030447907 816043197 /nfs/dbraw/zinc/04/31/97/816043197.db2.gz RGDMCLNAVOMDRX-UHFFFAOYSA-N 1 2 263.341 0.471 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001030493851 816064858 /nfs/dbraw/zinc/06/48/58/816064858.db2.gz WTSCICNYUYDCSD-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001030544053 816099775 /nfs/dbraw/zinc/09/97/75/816099775.db2.gz ADCLAWZFNXKGCR-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001030648223 816183683 /nfs/dbraw/zinc/18/36/83/816183683.db2.gz OJJPLCQQVIFNLZ-JTQLQIEISA-N 1 2 251.330 0.032 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001030701424 816235467 /nfs/dbraw/zinc/23/54/67/816235467.db2.gz PJEQGFDBIXOFLC-XHDPSFHLSA-N 1 2 286.379 0.899 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001030768585 816278346 /nfs/dbraw/zinc/27/83/46/816278346.db2.gz IWWWNWPKPXLMFT-UHFFFAOYSA-N 1 2 297.362 0.648 20 30 CCEDLO CC[C@@H](OC)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046010957 816280872 /nfs/dbraw/zinc/28/08/72/816280872.db2.gz XONFYTZWTPMVCB-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CC1CC(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046018812 816289090 /nfs/dbraw/zinc/28/90/90/816289090.db2.gz BIVDWIIAZSXECY-NRXISQOPSA-N 1 2 290.411 0.775 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001030899583 816408994 /nfs/dbraw/zinc/40/89/94/816408994.db2.gz KQTSYBROXMPKIO-UHFFFAOYSA-N 1 2 250.302 0.116 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(OCC)c2)C1 ZINC001030931173 816453047 /nfs/dbraw/zinc/45/30/47/816453047.db2.gz WAGAMSOXIFCHNN-UHFFFAOYSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001030945772 816477899 /nfs/dbraw/zinc/47/78/99/816477899.db2.gz WFGZBZYIMWCNSY-UHFFFAOYSA-N 1 2 289.383 0.762 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272538573 816562662 /nfs/dbraw/zinc/56/26/62/816562662.db2.gz QWGAAKYJGNEOFR-AWEZNQCLSA-N 1 2 276.340 0.399 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272538573 816562667 /nfs/dbraw/zinc/56/26/67/816562667.db2.gz QWGAAKYJGNEOFR-AWEZNQCLSA-N 1 2 276.340 0.399 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001031095084 816640257 /nfs/dbraw/zinc/64/02/57/816640257.db2.gz ZABBGKSNYWALAO-SNVBAGLBSA-N 1 2 251.330 0.032 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](O)C1 ZINC001083723881 816685673 /nfs/dbraw/zinc/68/56/73/816685673.db2.gz GMEQKVNVEULNSU-PWSUYJOCSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](O)C1 ZINC001083723881 816685676 /nfs/dbraw/zinc/68/56/76/816685676.db2.gz GMEQKVNVEULNSU-PWSUYJOCSA-N 1 2 279.365 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001077533602 816697130 /nfs/dbraw/zinc/69/71/30/816697130.db2.gz KLORXUGDUKQXLN-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001077533602 816697133 /nfs/dbraw/zinc/69/71/33/816697133.db2.gz KLORXUGDUKQXLN-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001031185295 816759310 /nfs/dbraw/zinc/75/93/10/816759310.db2.gz MEPDFFJTLRQOHG-LLVKDONJSA-N 1 2 286.379 0.972 20 30 CCEDLO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426063 816767677 /nfs/dbraw/zinc/76/76/77/816767677.db2.gz BCWMWSPTDGKQEW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNCC#N ZINC001106461675 816782460 /nfs/dbraw/zinc/78/24/60/816782460.db2.gz IZDIXNDQKYIZDX-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](O)C1 ZINC001083735740 816876069 /nfs/dbraw/zinc/87/60/69/816876069.db2.gz QSDHFOGZZJTABQ-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](O)C1 ZINC001083735740 816876075 /nfs/dbraw/zinc/87/60/75/816876075.db2.gz QSDHFOGZZJTABQ-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)nc1 ZINC001031278601 816924327 /nfs/dbraw/zinc/92/43/27/816924327.db2.gz SBNPWZDPTAJYSH-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001031447525 817060979 /nfs/dbraw/zinc/06/09/79/817060979.db2.gz AMNANTCRJJXNON-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031621664 817192456 /nfs/dbraw/zinc/19/24/56/817192456.db2.gz LXRHXAMGTLTFCQ-LBPRGKRZSA-N 1 2 287.791 0.118 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nccn1C ZINC001272678246 817292227 /nfs/dbraw/zinc/29/22/27/817292227.db2.gz KBECSFRPLPGFED-CHWSQXEVSA-N 1 2 272.352 0.619 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccn1C ZINC001272678246 817292234 /nfs/dbraw/zinc/29/22/34/817292234.db2.gz KBECSFRPLPGFED-CHWSQXEVSA-N 1 2 272.352 0.619 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001031778398 817360024 /nfs/dbraw/zinc/36/00/24/817360024.db2.gz XZMQMEBAFRUTKB-LBPRGKRZSA-N 1 2 299.802 0.655 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237525617 817519016 /nfs/dbraw/zinc/51/90/16/817519016.db2.gz SUZWFLONPOVJEB-GXFFZTMASA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237525617 817519023 /nfs/dbraw/zinc/51/90/23/817519023.db2.gz SUZWFLONPOVJEB-GXFFZTMASA-N 1 2 268.263 0.621 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001032111375 817640270 /nfs/dbraw/zinc/64/02/70/817640270.db2.gz DZWIGUMFUVRWTM-GFCCVEGCSA-N 1 2 272.352 0.196 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001032111375 817640273 /nfs/dbraw/zinc/64/02/73/817640273.db2.gz DZWIGUMFUVRWTM-GFCCVEGCSA-N 1 2 272.352 0.196 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)F)nn2)C1 ZINC001107118243 817769538 /nfs/dbraw/zinc/76/95/38/817769538.db2.gz OLOQHVVYCCKVED-UHFFFAOYSA-N 1 2 281.335 0.685 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CSC)nn2)C1 ZINC001107122625 817773553 /nfs/dbraw/zinc/77/35/53/817773553.db2.gz ICTFUJLRURHMIY-UHFFFAOYSA-N 1 2 295.412 0.690 20 30 CCEDLO N#Cc1cnc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001107539536 817876734 /nfs/dbraw/zinc/87/67/34/817876734.db2.gz OCXGZINYWHHDHP-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107665046 817932807 /nfs/dbraw/zinc/93/28/07/817932807.db2.gz HOWQIJHRMULEIG-SNVBAGLBSA-N 1 2 264.329 0.904 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001107758446 817987180 /nfs/dbraw/zinc/98/71/80/817987180.db2.gz CCYRBYWMZXGXDT-ZFWWWQNUSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001107758446 817987183 /nfs/dbraw/zinc/98/71/83/817987183.db2.gz CCYRBYWMZXGXDT-ZFWWWQNUSA-N 1 2 292.383 0.837 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107794846 818015717 /nfs/dbraw/zinc/01/57/17/818015717.db2.gz GQGYBLMHXGUYNC-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107794846 818015723 /nfs/dbraw/zinc/01/57/23/818015723.db2.gz GQGYBLMHXGUYNC-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107808097 818021928 /nfs/dbraw/zinc/02/19/28/818021928.db2.gz AVYGESWGEGBEIX-HIFRSBDPSA-N 1 2 282.384 0.499 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107808097 818021938 /nfs/dbraw/zinc/02/19/38/818021938.db2.gz AVYGESWGEGBEIX-HIFRSBDPSA-N 1 2 282.384 0.499 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078751829 818043140 /nfs/dbraw/zinc/04/31/40/818043140.db2.gz FEICTNODIXEEKZ-NSHDSACASA-N 1 2 294.355 0.166 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001128245570 818128460 /nfs/dbraw/zinc/12/84/60/818128460.db2.gz AWEJHBBFDWVMQR-UHFFFAOYSA-N 1 2 252.318 0.878 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090053366 818368613 /nfs/dbraw/zinc/36/86/13/818368613.db2.gz AGOOVPHYYURYPL-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090053366 818368618 /nfs/dbraw/zinc/36/86/18/818368618.db2.gz AGOOVPHYYURYPL-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC3(C)COC3)C[C@@]2(F)C1=O ZINC001273065297 818551551 /nfs/dbraw/zinc/55/15/51/818551551.db2.gz XKJWYDLONVFCEL-UONOGXRCSA-N 1 2 284.306 0.231 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CC3(C)COC3)C[C@@]2(F)C1=O ZINC001273065297 818551555 /nfs/dbraw/zinc/55/15/55/818551555.db2.gz XKJWYDLONVFCEL-UONOGXRCSA-N 1 2 284.306 0.231 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033139465 818563126 /nfs/dbraw/zinc/56/31/26/818563126.db2.gz GKWGKDCXFMOUNQ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033139465 818563128 /nfs/dbraw/zinc/56/31/28/818563128.db2.gz GKWGKDCXFMOUNQ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033172170 818597700 /nfs/dbraw/zinc/59/77/00/818597700.db2.gz PMSXNWBVTZTIGI-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033172170 818597705 /nfs/dbraw/zinc/59/77/05/818597705.db2.gz PMSXNWBVTZTIGI-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033428901 818775160 /nfs/dbraw/zinc/77/51/60/818775160.db2.gz HLGJDLOPVXHKQO-AXFHLTTASA-N 1 2 285.775 0.393 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033428901 818775164 /nfs/dbraw/zinc/77/51/64/818775164.db2.gz HLGJDLOPVXHKQO-AXFHLTTASA-N 1 2 285.775 0.393 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516410 818811952 /nfs/dbraw/zinc/81/19/52/818811952.db2.gz UZDSXFWWRQHXHN-VIFPVBQESA-N 1 2 269.736 0.704 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516410 818811957 /nfs/dbraw/zinc/81/19/57/818811957.db2.gz UZDSXFWWRQHXHN-VIFPVBQESA-N 1 2 269.736 0.704 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001033673828 818880310 /nfs/dbraw/zinc/88/03/10/818880310.db2.gz GJRAROTYLGZJAP-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001033673828 818880311 /nfs/dbraw/zinc/88/03/11/818880311.db2.gz GJRAROTYLGZJAP-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033775345 818927729 /nfs/dbraw/zinc/92/77/29/818927729.db2.gz MWZJAAPJCPYGJV-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033775345 818927735 /nfs/dbraw/zinc/92/77/35/818927735.db2.gz MWZJAAPJCPYGJV-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090180613 819037432 /nfs/dbraw/zinc/03/74/32/819037432.db2.gz SRZUQCAOZNDLKQ-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090180613 819037438 /nfs/dbraw/zinc/03/74/38/819037438.db2.gz SRZUQCAOZNDLKQ-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@@H](n2ccnn2)C1 ZINC001128920560 819157915 /nfs/dbraw/zinc/15/79/15/819157915.db2.gz XTQAZRVDUYVATN-YCYRZOEZSA-N 1 2 287.367 0.609 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@@H](n2ccnn2)C1 ZINC001128920560 819157917 /nfs/dbraw/zinc/15/79/17/819157917.db2.gz XTQAZRVDUYVATN-YCYRZOEZSA-N 1 2 287.367 0.609 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034887119 819356225 /nfs/dbraw/zinc/35/62/25/819356225.db2.gz SRMQTCBNLLNBRH-GXSJLCMTSA-N 1 2 279.369 0.778 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035279666 819446177 /nfs/dbraw/zinc/44/61/77/819446177.db2.gz OBNRLTAIRYCPBC-LBPRGKRZSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035279666 819446181 /nfs/dbraw/zinc/44/61/81/819446181.db2.gz OBNRLTAIRYCPBC-LBPRGKRZSA-N 1 2 264.329 0.037 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035306614 819457286 /nfs/dbraw/zinc/45/72/86/819457286.db2.gz LSWRCJZZDXWWHO-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035306614 819457290 /nfs/dbraw/zinc/45/72/90/819457290.db2.gz LSWRCJZZDXWWHO-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308041 819459698 /nfs/dbraw/zinc/45/96/98/819459698.db2.gz TUOQWKOHRQVKHA-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308041 819459704 /nfs/dbraw/zinc/45/97/04/819459704.db2.gz TUOQWKOHRQVKHA-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cocn2)C1 ZINC001035313108 819462614 /nfs/dbraw/zinc/46/26/14/819462614.db2.gz IHNMFTJUNUKKPB-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cocn2)C1 ZINC001035313108 819462620 /nfs/dbraw/zinc/46/26/20/819462620.db2.gz IHNMFTJUNUKKPB-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035331033 819475462 /nfs/dbraw/zinc/47/54/62/819475462.db2.gz FFAZGKRMTJXCFO-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035331033 819475467 /nfs/dbraw/zinc/47/54/67/819475467.db2.gz FFAZGKRMTJXCFO-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035365524 819489707 /nfs/dbraw/zinc/48/97/07/819489707.db2.gz PECBXJOXNONEBO-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035365524 819489711 /nfs/dbraw/zinc/48/97/11/819489711.db2.gz PECBXJOXNONEBO-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001035423168 819512367 /nfs/dbraw/zinc/51/23/67/819512367.db2.gz IPNAFWWUBFMTAE-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001035423168 819512373 /nfs/dbraw/zinc/51/23/73/819512373.db2.gz IPNAFWWUBFMTAE-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404419 819514060 /nfs/dbraw/zinc/51/40/60/819514060.db2.gz LKZHVQHLLRXODL-NSHDSACASA-N 1 2 294.355 0.430 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404419 819514064 /nfs/dbraw/zinc/51/40/64/819514064.db2.gz LKZHVQHLLRXODL-NSHDSACASA-N 1 2 294.355 0.430 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001035483962 819532393 /nfs/dbraw/zinc/53/23/93/819532393.db2.gz JNSXKHVEWYABBQ-LLVKDONJSA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001035483962 819532398 /nfs/dbraw/zinc/53/23/98/819532398.db2.gz JNSXKHVEWYABBQ-LLVKDONJSA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035532867 819557874 /nfs/dbraw/zinc/55/78/74/819557874.db2.gz JPTULVYLMUMQBY-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035532867 819557879 /nfs/dbraw/zinc/55/78/79/819557879.db2.gz JPTULVYLMUMQBY-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001035631998 819586010 /nfs/dbraw/zinc/58/60/10/819586010.db2.gz XFJOGTYLZLIXBT-UONOGXRCSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001035631998 819586013 /nfs/dbraw/zinc/58/60/13/819586013.db2.gz XFJOGTYLZLIXBT-UONOGXRCSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035614645 819592248 /nfs/dbraw/zinc/59/22/48/819592248.db2.gz RVBQCHBXVQAKLS-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035614645 819592249 /nfs/dbraw/zinc/59/22/49/819592249.db2.gz RVBQCHBXVQAKLS-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)[C@@H](O)C1 ZINC001083902260 820209020 /nfs/dbraw/zinc/20/90/20/820209020.db2.gz IRYSCYDGTGTOBV-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)[C@@H](O)C1 ZINC001083902260 820209029 /nfs/dbraw/zinc/20/90/29/820209029.db2.gz IRYSCYDGTGTOBV-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001083923412 820274538 /nfs/dbraw/zinc/27/45/38/820274538.db2.gz AJAHEMTXEGXJCK-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001083923412 820274543 /nfs/dbraw/zinc/27/45/43/820274543.db2.gz AJAHEMTXEGXJCK-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080419111 820571429 /nfs/dbraw/zinc/57/14/29/820571429.db2.gz LRFHPZYVZURAGI-NTZNESFSSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001081415557 820760018 /nfs/dbraw/zinc/76/00/18/820760018.db2.gz CUTVPQAVXAEEAL-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001081415557 820760023 /nfs/dbraw/zinc/76/00/23/820760023.db2.gz CUTVPQAVXAEEAL-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@H](OC)C1 ZINC001081734028 820824069 /nfs/dbraw/zinc/82/40/69/820824069.db2.gz HIRWKPVGOQGDCX-TZMCWYRMSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@H](OC)C1 ZINC001081734028 820824074 /nfs/dbraw/zinc/82/40/74/820824074.db2.gz HIRWKPVGOQGDCX-TZMCWYRMSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 ZINC001082045425 820882292 /nfs/dbraw/zinc/88/22/92/820882292.db2.gz ZMFBWACDUCSGHQ-DGCLKSJQSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 ZINC001082045425 820882302 /nfs/dbraw/zinc/88/23/02/820882302.db2.gz ZMFBWACDUCSGHQ-DGCLKSJQSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@H](OC)C1 ZINC001082090276 820899738 /nfs/dbraw/zinc/89/97/38/820899738.db2.gz OMUZMKCANJVEBI-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@H](OC)C1 ZINC001082090276 820899747 /nfs/dbraw/zinc/89/97/47/820899747.db2.gz OMUZMKCANJVEBI-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001119252999 821068800 /nfs/dbraw/zinc/06/88/00/821068800.db2.gz WHIBTKMWBSSWGP-ZDUSSCGKSA-N 1 2 278.356 0.396 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001119252999 821068808 /nfs/dbraw/zinc/06/88/08/821068808.db2.gz WHIBTKMWBSSWGP-ZDUSSCGKSA-N 1 2 278.356 0.396 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082977997 821085476 /nfs/dbraw/zinc/08/54/76/821085476.db2.gz MIPGDRJHDXFKSY-WDEREUQCSA-N 1 2 254.305 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082977997 821085485 /nfs/dbraw/zinc/08/54/85/821085485.db2.gz MIPGDRJHDXFKSY-WDEREUQCSA-N 1 2 254.305 0.279 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OC)[C@H]2C1 ZINC001083021494 821110886 /nfs/dbraw/zinc/11/08/86/821110886.db2.gz RGTKZPWTFMWQNW-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OC)[C@H]2C1 ZINC001083021494 821110887 /nfs/dbraw/zinc/11/08/87/821110887.db2.gz RGTKZPWTFMWQNW-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCOC3)[C@H]2C1 ZINC001083044112 821126880 /nfs/dbraw/zinc/12/68/80/821126880.db2.gz XUAZPINQTCKZBW-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCOC3)[C@H]2C1 ZINC001083044112 821126888 /nfs/dbraw/zinc/12/68/88/821126888.db2.gz XUAZPINQTCKZBW-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3conc3C)[C@H]2C1 ZINC001083181579 821158039 /nfs/dbraw/zinc/15/80/39/821158039.db2.gz MFUXLTAKUNQBHE-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3conc3C)[C@H]2C1 ZINC001083181579 821158041 /nfs/dbraw/zinc/15/80/41/821158041.db2.gz MFUXLTAKUNQBHE-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](O)C1 ZINC001083950466 821162884 /nfs/dbraw/zinc/16/28/84/821162884.db2.gz KRQAMRKPCWEWOY-YPMHNXCESA-N 1 2 291.351 0.425 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](O)C1 ZINC001083950466 821162886 /nfs/dbraw/zinc/16/28/86/821162886.db2.gz KRQAMRKPCWEWOY-YPMHNXCESA-N 1 2 291.351 0.425 20 30 CCEDLO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091886 821197359 /nfs/dbraw/zinc/19/73/59/821197359.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091886 821197364 /nfs/dbraw/zinc/19/73/64/821197364.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 1 2 293.411 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H](O)C1 ZINC001084102597 821201554 /nfs/dbraw/zinc/20/15/54/821201554.db2.gz CNEARMJAUNVPMW-KGLIPLIRSA-N 1 2 276.311 0.564 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H](O)C1 ZINC001084102597 821201563 /nfs/dbraw/zinc/20/15/63/821201563.db2.gz CNEARMJAUNVPMW-KGLIPLIRSA-N 1 2 276.311 0.564 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 ZINC001084214275 821236570 /nfs/dbraw/zinc/23/65/70/821236570.db2.gz HZSADGJJQZMWMM-DGCLKSJQSA-N 1 2 258.325 0.498 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 ZINC001084214275 821236575 /nfs/dbraw/zinc/23/65/75/821236575.db2.gz HZSADGJJQZMWMM-DGCLKSJQSA-N 1 2 258.325 0.498 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001084574588 821321491 /nfs/dbraw/zinc/32/14/91/821321491.db2.gz DSUGUFUUWLPZLZ-QJPTWQEYSA-N 1 2 279.384 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001084574588 821321499 /nfs/dbraw/zinc/32/14/99/821321499.db2.gz DSUGUFUUWLPZLZ-QJPTWQEYSA-N 1 2 279.384 0.605 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001085521596 821766155 /nfs/dbraw/zinc/76/61/55/821766155.db2.gz RCEGLWGTKHPCIO-CYBMUJFWSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001085521596 821766159 /nfs/dbraw/zinc/76/61/59/821766159.db2.gz RCEGLWGTKHPCIO-CYBMUJFWSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085592481 821837997 /nfs/dbraw/zinc/83/79/97/821837997.db2.gz LABDLDSLRGKUGU-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085592481 821838005 /nfs/dbraw/zinc/83/80/05/821838005.db2.gz LABDLDSLRGKUGU-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676847 821888186 /nfs/dbraw/zinc/88/81/86/821888186.db2.gz ZMIOFPLUONCPFI-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871974 821990524 /nfs/dbraw/zinc/99/05/24/821990524.db2.gz LDQUAQUKWODGES-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871974 821990528 /nfs/dbraw/zinc/99/05/28/821990528.db2.gz LDQUAQUKWODGES-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(cnn2C)c1 ZINC001085894901 822002745 /nfs/dbraw/zinc/00/27/45/822002745.db2.gz OOWYVKMKICQNSL-CQSZACIVSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(cnn2C)c1 ZINC001085894901 822002754 /nfs/dbraw/zinc/00/27/54/822002754.db2.gz OOWYVKMKICQNSL-CQSZACIVSA-N 1 2 297.362 0.748 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)c1[nH+]cnc2c1cnn2C ZINC001100005282 822006412 /nfs/dbraw/zinc/00/64/12/822006412.db2.gz YDUKWPGLQCLFQN-SECBINFHSA-N 1 2 287.327 0.075 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCCF)C2)CC1 ZINC001273375717 822028526 /nfs/dbraw/zinc/02/85/26/822028526.db2.gz SAAGUZVNQZHUAN-OAHLLOKOSA-N 1 2 295.402 0.978 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001085966386 822041874 /nfs/dbraw/zinc/04/18/74/822041874.db2.gz IMHJDZBOWRNCHK-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001085966386 822041877 /nfs/dbraw/zinc/04/18/77/822041877.db2.gz IMHJDZBOWRNCHK-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086128002 822121310 /nfs/dbraw/zinc/12/13/10/822121310.db2.gz YGYHTVQMXHUYOI-RWMBFGLXSA-N 1 2 287.367 0.453 20 30 CCEDLO Cc1nc(N(C)C)nc(NC[C@H](C)NC(=O)[C@H](C)C#N)[nH+]1 ZINC001108292309 822326532 /nfs/dbraw/zinc/32/65/32/822326532.db2.gz ODIAWAJRIRJZQT-BDAKNGLRSA-N 1 2 291.359 0.322 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114006313 837401619 /nfs/dbraw/zinc/40/16/19/837401619.db2.gz YLVAHMAYZKERQE-IMRBUKKESA-N 1 2 275.356 0.328 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114006313 837401623 /nfs/dbraw/zinc/40/16/23/837401623.db2.gz YLVAHMAYZKERQE-IMRBUKKESA-N 1 2 275.356 0.328 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(C#N)cc1F ZINC001157772141 837422556 /nfs/dbraw/zinc/42/25/56/837422556.db2.gz CVAUHLNALLRHPQ-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(C#N)cc1F ZINC001157772141 837422561 /nfs/dbraw/zinc/42/25/61/837422561.db2.gz CVAUHLNALLRHPQ-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114252871 837487723 /nfs/dbraw/zinc/48/77/23/837487723.db2.gz DFKNZAHXTXHJQD-JYAVWHMHSA-N 1 2 286.335 0.338 20 30 CCEDLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114252871 837487727 /nfs/dbraw/zinc/48/77/27/837487727.db2.gz DFKNZAHXTXHJQD-JYAVWHMHSA-N 1 2 286.335 0.338 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCNCC#N)C2 ZINC001130490356 837812662 /nfs/dbraw/zinc/81/26/62/837812662.db2.gz BQFPSTBGPDBMJI-SNVBAGLBSA-N 1 2 261.329 0.052 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCNCC#N)CC2 ZINC001130490356 837812675 /nfs/dbraw/zinc/81/26/75/837812675.db2.gz BQFPSTBGPDBMJI-SNVBAGLBSA-N 1 2 261.329 0.052 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)CNCC#N ZINC001183596566 844050980 /nfs/dbraw/zinc/05/09/80/844050980.db2.gz UTIKYQAGBVXCFD-TZMCWYRMSA-N 1 2 275.356 0.481 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)c(C)cc2C#N)C[NH2+]1 ZINC001156243470 836108603 /nfs/dbraw/zinc/10/86/03/836108603.db2.gz VVYAEWDCVOJNMX-RYUDHWBXSA-N 1 2 274.324 0.886 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc3nc[nH]c3c(C#N)n2)C[NH2+]1 ZINC001169129104 836143643 /nfs/dbraw/zinc/14/36/43/836143643.db2.gz KKPSWQGIKSFNQF-APPZFPTMSA-N 1 2 286.295 0.145 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(F)=C(C)C)CC2=O)C1 ZINC001108533700 836424317 /nfs/dbraw/zinc/42/43/17/836424317.db2.gz ALKJHYIEDBNGRK-NSHDSACASA-N 1 2 295.358 0.837 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762790 836520084 /nfs/dbraw/zinc/52/00/84/836520084.db2.gz DFTDZDJEFLHWPR-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762790 836520092 /nfs/dbraw/zinc/52/00/92/836520092.db2.gz DFTDZDJEFLHWPR-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843504 836545148 /nfs/dbraw/zinc/54/51/48/836545148.db2.gz SLZXGGIQGNXDTO-RDBSUJKOSA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843504 836545161 /nfs/dbraw/zinc/54/51/61/836545161.db2.gz SLZXGGIQGNXDTO-RDBSUJKOSA-N 1 2 291.395 0.810 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC)C2 ZINC001108940246 836579337 /nfs/dbraw/zinc/57/93/37/836579337.db2.gz QSFXSJLLSHQYMA-RDBSUJKOSA-N 1 2 291.395 0.648 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC)C2 ZINC001108940246 836579343 /nfs/dbraw/zinc/57/93/43/836579343.db2.gz QSFXSJLLSHQYMA-RDBSUJKOSA-N 1 2 291.395 0.648 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC)C2 ZINC001108945518 836583740 /nfs/dbraw/zinc/58/37/40/836583740.db2.gz PRYCBCCMYABXBX-CRWXNKLISA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC)C2 ZINC001108945518 836583747 /nfs/dbraw/zinc/58/37/47/836583747.db2.gz PRYCBCCMYABXBX-CRWXNKLISA-N 1 2 291.395 0.503 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1CNCC#N ZINC001184274971 844202484 /nfs/dbraw/zinc/20/24/84/844202484.db2.gz UURHVPCOODAARZ-STQMWFEESA-N 1 2 289.383 0.940 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOCC=C)CC1 ZINC001112846640 836938364 /nfs/dbraw/zinc/93/83/64/836938364.db2.gz UVGPBYNMWRQUBA-CQSZACIVSA-N 1 2 280.368 0.372 20 30 CCEDLO C#CCOCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112843819 836940443 /nfs/dbraw/zinc/94/04/43/836940443.db2.gz ICNJNXLLPOGXAF-UHFFFAOYSA-N 1 2 296.411 0.843 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(COC)CCOCC2)CC1 ZINC001112933130 836971980 /nfs/dbraw/zinc/97/19/80/836971980.db2.gz NPZPEJKHAJKMHR-UHFFFAOYSA-N 1 2 282.384 0.760 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCCOC)CC1 ZINC001113400741 837110066 /nfs/dbraw/zinc/11/00/66/837110066.db2.gz XNWYNYUBQLBBMD-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001113569709 837161934 /nfs/dbraw/zinc/16/19/34/837161934.db2.gz SWUKWQJGFJMOIC-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 ZINC001113644421 837186737 /nfs/dbraw/zinc/18/67/37/837186737.db2.gz WPHIFESDTIGGJD-LBPRGKRZSA-N 1 2 267.373 0.479 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001113680673 837194658 /nfs/dbraw/zinc/19/46/58/837194658.db2.gz QXSMJEWUFFYOJR-UHFFFAOYSA-N 1 2 282.388 0.414 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2COC(C)(C)OC2)CC1 ZINC001184456334 844245700 /nfs/dbraw/zinc/24/57/00/844245700.db2.gz ZWBSFPCFCZDKNV-UHFFFAOYSA-N 1 2 268.357 0.716 20 30 CCEDLO N#CCc1cc(Nc2[nH]c(=O)nc3nc[nH]c32)cc[nH+]1 ZINC001170228435 837273819 /nfs/dbraw/zinc/27/38/19/837273819.db2.gz FKIQJOWRIRDTEE-UHFFFAOYSA-N 1 2 267.252 0.685 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1cnc(C#N)cn1 ZINC001113898332 837359192 /nfs/dbraw/zinc/35/91/92/837359192.db2.gz REMPFIXPHHVJRT-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO N#C[C@H](Nc1c(Br)ccc2[nH+]ccn21)C(N)=O ZINC001170543397 838008136 /nfs/dbraw/zinc/00/81/36/838008136.db2.gz ZEHULGIJYZXSMD-ZETCQYMHSA-N 1 2 294.112 0.886 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131855778 838249510 /nfs/dbraw/zinc/24/95/10/838249510.db2.gz BRSJOMUBBVZSRF-STQMWFEESA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131855778 838249518 /nfs/dbraw/zinc/24/95/18/838249518.db2.gz BRSJOMUBBVZSRF-STQMWFEESA-N 1 2 294.399 0.785 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131935285 838268529 /nfs/dbraw/zinc/26/85/29/838268529.db2.gz UHIBOPRDRKENIO-ZJUUUORDSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131935285 838268537 /nfs/dbraw/zinc/26/85/37/838268537.db2.gz UHIBOPRDRKENIO-ZJUUUORDSA-N 1 2 273.764 0.583 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217762 838340223 /nfs/dbraw/zinc/34/02/23/838340223.db2.gz GNVXOCVCWCYXEV-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132217762 838340226 /nfs/dbraw/zinc/34/02/26/838340226.db2.gz GNVXOCVCWCYXEV-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001132402261 838385357 /nfs/dbraw/zinc/38/53/57/838385357.db2.gz NTGGSRZZKSEDNR-UHFFFAOYSA-N 1 2 296.371 0.677 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(C)o2)C1 ZINC001133569812 838669270 /nfs/dbraw/zinc/66/92/70/838669270.db2.gz DDPMRVDNHNMOBI-UHFFFAOYSA-N 1 2 264.329 0.940 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1CNCC#N ZINC001185206424 844363164 /nfs/dbraw/zinc/36/31/64/844363164.db2.gz SYTKJIJTHCXTNZ-RYUDHWBXSA-N 1 2 275.356 0.550 20 30 CCEDLO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135407830 839241326 /nfs/dbraw/zinc/24/13/26/839241326.db2.gz OAKYYVQVGJJIMJ-DTWKUNHWSA-N 1 2 252.293 0.669 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090631714 839689443 /nfs/dbraw/zinc/68/94/43/839689443.db2.gz WKYAKBIBQICJQC-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090631714 839689448 /nfs/dbraw/zinc/68/94/48/839689448.db2.gz WKYAKBIBQICJQC-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090810012 839827671 /nfs/dbraw/zinc/82/76/71/839827671.db2.gz WKPXURRUTARKNI-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090810012 839827675 /nfs/dbraw/zinc/82/76/75/839827675.db2.gz WKPXURRUTARKNI-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@H]21 ZINC001144075323 839929664 /nfs/dbraw/zinc/92/96/64/839929664.db2.gz NGCAXDIPJBEFFV-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cncc(C#N)c3)C[C@H]21 ZINC001144075323 839929669 /nfs/dbraw/zinc/92/96/69/839929669.db2.gz NGCAXDIPJBEFFV-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cncc(C#N)c3)C[C@H]21 ZINC001144075323 839929680 /nfs/dbraw/zinc/92/96/80/839929680.db2.gz NGCAXDIPJBEFFV-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cncc(C#N)c3)C[C@H]21 ZINC001144075323 839929688 /nfs/dbraw/zinc/92/96/88/839929688.db2.gz NGCAXDIPJBEFFV-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)cn2)C1 ZINC001144162935 839965067 /nfs/dbraw/zinc/96/50/67/839965067.db2.gz DXJAFHASWJUAIQ-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)cn2)C1 ZINC001144162935 839965070 /nfs/dbraw/zinc/96/50/70/839965070.db2.gz DXJAFHASWJUAIQ-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC001171250223 840191169 /nfs/dbraw/zinc/19/11/69/840191169.db2.gz UPVPYIOQPHLYOK-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC001171250223 840191173 /nfs/dbraw/zinc/19/11/73/840191173.db2.gz UPVPYIOQPHLYOK-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001147159729 840506565 /nfs/dbraw/zinc/50/65/65/840506565.db2.gz XIXAWNVJAOXMTP-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001147159729 840506577 /nfs/dbraw/zinc/50/65/77/840506577.db2.gz XIXAWNVJAOXMTP-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001091754979 840902495 /nfs/dbraw/zinc/90/24/95/840902495.db2.gz BOBPYUXRWXXCGC-JXFSHQFZSA-N 1 2 299.378 0.817 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001091754979 840902506 /nfs/dbraw/zinc/90/25/06/840902506.db2.gz BOBPYUXRWXXCGC-JXFSHQFZSA-N 1 2 299.378 0.817 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCNC(=O)C#CC(C)C)[nH+]1 ZINC001093594776 841359191 /nfs/dbraw/zinc/35/91/91/841359191.db2.gz WGKMMHZEMASWQQ-UHFFFAOYSA-N 1 2 290.371 0.434 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCCn2cc[nH+]c2)nn1 ZINC001093714992 841444358 /nfs/dbraw/zinc/44/43/58/841444358.db2.gz XDIMYOSSKIEWLP-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1ccc(C#N)nn1 ZINC001094524857 841657702 /nfs/dbraw/zinc/65/77/02/841657702.db2.gz TZAPGCTWOLYFQB-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001094688811 841702738 /nfs/dbraw/zinc/70/27/38/841702738.db2.gz CWPREQZTDTXXBA-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccoc3)CC2=O)C1 ZINC001094705730 841711818 /nfs/dbraw/zinc/71/18/18/841711818.db2.gz POAXQYUCVAEYML-LBPRGKRZSA-N 1 2 289.335 0.481 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)C3CC3)CC2=O)C1 ZINC001094723259 841712806 /nfs/dbraw/zinc/71/28/06/841712806.db2.gz GKPQFCOMXSTZOE-YPMHNXCESA-N 1 2 291.395 0.620 20 30 CCEDLO CC(C)OC(=O)CC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172755617 841968464 /nfs/dbraw/zinc/96/84/64/841968464.db2.gz RBEGKRPOPLKKEJ-NWDGAFQWSA-N 1 2 253.346 0.904 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001172614040 841946733 /nfs/dbraw/zinc/94/67/33/841946733.db2.gz YYLWQGBVVKSFJV-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CCOC1CCC([NH2+]Cc2noc(C(N)=O)n2)CC1 ZINC001173313859 842044779 /nfs/dbraw/zinc/04/47/79/842044779.db2.gz AIRZYWGUEKWEMG-UHFFFAOYSA-N 1 2 280.328 0.772 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938538 842456788 /nfs/dbraw/zinc/45/67/88/842456788.db2.gz VPKXNOKGBBONIB-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938538 842456795 /nfs/dbraw/zinc/45/67/95/842456795.db2.gz VPKXNOKGBBONIB-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176970308 842472679 /nfs/dbraw/zinc/47/26/79/842472679.db2.gz LTQBNCXGFQPQAR-STQMWFEESA-N 1 2 275.352 0.961 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 ZINC001176994888 842479745 /nfs/dbraw/zinc/47/97/45/842479745.db2.gz QVWLWQZSADGZQD-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 ZINC001176994888 842479750 /nfs/dbraw/zinc/47/97/50/842479750.db2.gz QVWLWQZSADGZQD-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(O)cn2)C1 ZINC001177759997 842667914 /nfs/dbraw/zinc/66/79/14/842667914.db2.gz WDOQHQHPNVMYDL-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(O)cn2)C1 ZINC001177759997 842667915 /nfs/dbraw/zinc/66/79/15/842667915.db2.gz WDOQHQHPNVMYDL-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)c(C#C)n1 ZINC001177921852 842709746 /nfs/dbraw/zinc/70/97/46/842709746.db2.gz KKKCSGORAXDZPW-SNVBAGLBSA-N 1 2 265.276 0.835 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927165 842714878 /nfs/dbraw/zinc/71/48/78/842714878.db2.gz PNJSSDXYNWICPJ-SFYZADRCSA-N 1 2 257.315 0.032 20 30 CCEDLO N#Cc1ccnnc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178100752 842755140 /nfs/dbraw/zinc/75/51/40/842755140.db2.gz DRWZMTRSZULHKA-JTQLQIEISA-N 1 2 268.280 0.746 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC)NC(C)=O)CC1 ZINC001180975616 843355050 /nfs/dbraw/zinc/35/50/50/843355050.db2.gz QGOJSHKADVNLRZ-CYBMUJFWSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001181617931 843555989 /nfs/dbraw/zinc/55/59/89/843555989.db2.gz IFUUNAHHCNGXBC-GHMZBOCLSA-N 1 2 296.396 0.992 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182215580 843757417 /nfs/dbraw/zinc/75/74/17/843757417.db2.gz WTZXIYXTDJQNOX-RISCZKNCSA-N 1 2 294.355 0.396 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182388502 843799670 /nfs/dbraw/zinc/79/96/70/843799670.db2.gz GZQHHBPNMPEVMQ-LLVKDONJSA-N 1 2 278.381 0.888 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182496041 843845696 /nfs/dbraw/zinc/84/56/96/843845696.db2.gz CUKXXPXERHBFML-LLVKDONJSA-N 1 2 294.380 0.269 20 30 CCEDLO COCC#CC(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001187139000 844659070 /nfs/dbraw/zinc/65/90/70/844659070.db2.gz OBHRCMHSAQJENI-CYBMUJFWSA-N 1 2 282.384 0.499 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761055 845904391 /nfs/dbraw/zinc/90/43/91/845904391.db2.gz DKKNSWVHJWLQDF-YNEHKIRRSA-N 1 2 270.348 0.555 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761055 845904394 /nfs/dbraw/zinc/90/43/94/845904394.db2.gz DKKNSWVHJWLQDF-YNEHKIRRSA-N 1 2 270.348 0.555 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121501 845987365 /nfs/dbraw/zinc/98/73/65/845987365.db2.gz BSGZSWWPSUNVNS-IWSPIJDZSA-N 1 2 284.253 0.624 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121501 845987373 /nfs/dbraw/zinc/98/73/73/845987373.db2.gz BSGZSWWPSUNVNS-IWSPIJDZSA-N 1 2 284.253 0.624 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001193178185 846001848 /nfs/dbraw/zinc/00/18/48/846001848.db2.gz CWNUVEBCTURSJE-VIFPVBQESA-N 1 2 266.326 0.102 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001193178883 846024581 /nfs/dbraw/zinc/02/45/81/846024581.db2.gz RNHKAHBBOXMVJP-WCQYABFASA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001193178883 846024588 /nfs/dbraw/zinc/02/45/88/846024588.db2.gz RNHKAHBBOXMVJP-WCQYABFASA-N 1 2 294.380 0.487 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(=O)OC)n2)CC1 ZINC001193397194 846070521 /nfs/dbraw/zinc/07/05/21/846070521.db2.gz IDKSVUQKBAOCJK-UHFFFAOYSA-N 1 2 289.335 0.812 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)ccc1O ZINC001193506842 846101079 /nfs/dbraw/zinc/10/10/79/846101079.db2.gz ZLTVYJJQWORSJM-LBPRGKRZSA-N 1 2 257.293 0.794 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[N@H+]3CC[C@H]3C2)ccc1O ZINC001193506842 846101082 /nfs/dbraw/zinc/10/10/82/846101082.db2.gz ZLTVYJJQWORSJM-LBPRGKRZSA-N 1 2 257.293 0.794 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccn(CC)c2=O)CC1 ZINC001194472904 846300874 /nfs/dbraw/zinc/30/08/74/846300874.db2.gz ZPXSXPVSDOFRTI-UHFFFAOYSA-N 1 2 275.352 0.812 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194590506 846331670 /nfs/dbraw/zinc/33/16/70/846331670.db2.gz RAQBORVQYNUIKT-UHFFFAOYSA-N 1 2 260.284 0.436 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194590506 846331679 /nfs/dbraw/zinc/33/16/79/846331679.db2.gz RAQBORVQYNUIKT-UHFFFAOYSA-N 1 2 260.284 0.436 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195126876 846465754 /nfs/dbraw/zinc/46/57/54/846465754.db2.gz ZCCIIYSCLUQMOU-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195126876 846465758 /nfs/dbraw/zinc/46/57/58/846465758.db2.gz ZCCIIYSCLUQMOU-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195126874 846466573 /nfs/dbraw/zinc/46/65/73/846466573.db2.gz ZCCIIYSCLUQMOU-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195126874 846466578 /nfs/dbraw/zinc/46/65/78/846466578.db2.gz ZCCIIYSCLUQMOU-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001195232732 846477205 /nfs/dbraw/zinc/47/72/05/846477205.db2.gz NGESPHSJPVEJMZ-NSHDSACASA-N 1 2 296.371 0.070 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001195232732 846477209 /nfs/dbraw/zinc/47/72/09/846477209.db2.gz NGESPHSJPVEJMZ-NSHDSACASA-N 1 2 296.371 0.070 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195445036 846531481 /nfs/dbraw/zinc/53/14/81/846531481.db2.gz YHXQDCBYDPBWKY-SREVYHEPSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195445036 846531486 /nfs/dbraw/zinc/53/14/86/846531486.db2.gz YHXQDCBYDPBWKY-SREVYHEPSA-N 1 2 291.395 0.789 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001196883787 846808753 /nfs/dbraw/zinc/80/87/53/846808753.db2.gz TZQWKSHSVPAMAU-IACUBPJLSA-N 1 2 276.336 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001196883787 846808760 /nfs/dbraw/zinc/80/87/60/846808760.db2.gz TZQWKSHSVPAMAU-IACUBPJLSA-N 1 2 276.336 0.253 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196879959 846809575 /nfs/dbraw/zinc/80/95/75/846809575.db2.gz GLHKTVKPGVUZAP-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196879959 846809583 /nfs/dbraw/zinc/80/95/83/846809583.db2.gz GLHKTVKPGVUZAP-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001199308546 847288910 /nfs/dbraw/zinc/28/89/10/847288910.db2.gz ZAUALKIEUZXEDS-JHJVBQTASA-N 1 2 288.363 0.489 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001199308546 847288923 /nfs/dbraw/zinc/28/89/23/847288923.db2.gz ZAUALKIEUZXEDS-JHJVBQTASA-N 1 2 288.363 0.489 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OCC)n2)CC1 ZINC001199639867 847379397 /nfs/dbraw/zinc/37/93/97/847379397.db2.gz ZWFPGLDFERBRLM-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO N#Cc1cnc(C(=O)NCCOc2cc[nH+]cc2)cn1 ZINC001199670445 847393669 /nfs/dbraw/zinc/39/36/69/847393669.db2.gz MYMKBNSIMUPVTF-UHFFFAOYSA-N 1 2 269.264 0.552 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200556100 847651767 /nfs/dbraw/zinc/65/17/67/847651767.db2.gz WRTXNVBGVSCRRH-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCCO1 ZINC001200556100 847651773 /nfs/dbraw/zinc/65/17/73/847651773.db2.gz WRTXNVBGVSCRRH-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001153097515 847925707 /nfs/dbraw/zinc/92/57/07/847925707.db2.gz NLMGPAAMNVDZBD-VIFPVBQESA-N 1 2 268.317 0.175 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001153135476 847931902 /nfs/dbraw/zinc/93/19/02/847931902.db2.gz UOESXWSADDXGKN-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001274018315 848305777 /nfs/dbraw/zinc/30/57/77/848305777.db2.gz ZVOSTRIWYSCCOI-DSYXLKISSA-N 1 2 288.351 0.277 20 30 CCEDLO Cc1ncc(C(=O)N2CC3(CC[N@H+]3C)C2)cc1C#N ZINC001274092128 848347214 /nfs/dbraw/zinc/34/72/14/848347214.db2.gz CFJHDBXTLWJCQL-UHFFFAOYSA-N 1 2 256.309 0.792 20 30 CCEDLO Cc1ncc(C(=O)N2CC3(CC[N@@H+]3C)C2)cc1C#N ZINC001274092128 848347224 /nfs/dbraw/zinc/34/72/24/848347224.db2.gz CFJHDBXTLWJCQL-UHFFFAOYSA-N 1 2 256.309 0.792 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1cnn[nH]1 ZINC001274160588 848360888 /nfs/dbraw/zinc/36/08/88/848360888.db2.gz AMUOFEQGLWWHRW-IHWYPQMZSA-N 1 2 255.709 0.433 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CC(C)(C)O)C[C@@]2(F)C1=O ZINC001274593514 848515018 /nfs/dbraw/zinc/51/50/18/848515018.db2.gz OAIUTMHJOSYKMM-UONOGXRCSA-N 1 2 288.338 0.908 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CC(C)(C)O)C[C@@]2(F)C1=O ZINC001274593514 848515023 /nfs/dbraw/zinc/51/50/23/848515023.db2.gz OAIUTMHJOSYKMM-UONOGXRCSA-N 1 2 288.338 0.908 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001274753113 848561536 /nfs/dbraw/zinc/56/15/36/848561536.db2.gz MQWPFSOECJCCEU-NXEZZACHSA-N 1 2 282.369 0.171 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001095644663 849003144 /nfs/dbraw/zinc/00/31/44/849003144.db2.gz GNMWKLPNEGLGIT-MQYQWHSLSA-N 1 2 299.378 0.691 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206607610 849370752 /nfs/dbraw/zinc/37/07/52/849370752.db2.gz SIRFKVKDRSWFLO-TZMCWYRMSA-N 1 2 292.383 0.559 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206607610 849370759 /nfs/dbraw/zinc/37/07/59/849370759.db2.gz SIRFKVKDRSWFLO-TZMCWYRMSA-N 1 2 292.383 0.559 20 30 CCEDLO C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038623652 849690963 /nfs/dbraw/zinc/69/09/63/849690963.db2.gz DPZCIPNOPOIQEG-GJZGRUSLSA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623652 849690966 /nfs/dbraw/zinc/69/09/66/849690966.db2.gz DPZCIPNOPOIQEG-GJZGRUSLSA-N 1 2 295.427 0.862 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038243668 849828946 /nfs/dbraw/zinc/82/89/46/849828946.db2.gz JEIZTMQEHQBLOE-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038243668 849828952 /nfs/dbraw/zinc/82/89/52/849828952.db2.gz JEIZTMQEHQBLOE-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341853 849858763 /nfs/dbraw/zinc/85/87/63/849858763.db2.gz OKSXJVZMOCAEJI-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341853 849858771 /nfs/dbraw/zinc/85/87/71/849858771.db2.gz OKSXJVZMOCAEJI-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038355123 849862218 /nfs/dbraw/zinc/86/22/18/849862218.db2.gz ZRTIZRZIYWVWRI-JTQLQIEISA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038355123 849862230 /nfs/dbraw/zinc/86/22/30/849862230.db2.gz ZRTIZRZIYWVWRI-JTQLQIEISA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001038421663 849889441 /nfs/dbraw/zinc/88/94/41/849889441.db2.gz JBFKJCVKHCOZTD-LLVKDONJSA-N 1 2 276.340 0.004 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001038421663 849889449 /nfs/dbraw/zinc/88/94/49/849889449.db2.gz JBFKJCVKHCOZTD-LLVKDONJSA-N 1 2 276.340 0.004 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038420188 849890879 /nfs/dbraw/zinc/89/08/79/849890879.db2.gz YMIQKVXDPSDZPU-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038420188 849890885 /nfs/dbraw/zinc/89/08/85/849890885.db2.gz YMIQKVXDPSDZPU-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038424979 849893032 /nfs/dbraw/zinc/89/30/32/849893032.db2.gz XJJXOWOZECBPLK-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038424979 849893035 /nfs/dbraw/zinc/89/30/35/849893035.db2.gz XJJXOWOZECBPLK-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038432556 849896434 /nfs/dbraw/zinc/89/64/34/849896434.db2.gz RTGXUSNBMYTUGZ-LBPRGKRZSA-N 1 2 264.304 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038432556 849896444 /nfs/dbraw/zinc/89/64/44/849896444.db2.gz RTGXUSNBMYTUGZ-LBPRGKRZSA-N 1 2 264.304 0.290 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038505973 849926689 /nfs/dbraw/zinc/92/66/89/849926689.db2.gz QYQAFJBYCMWEBE-NSHDSACASA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038505973 849926698 /nfs/dbraw/zinc/92/66/98/849926698.db2.gz QYQAFJBYCMWEBE-NSHDSACASA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001038536736 849934934 /nfs/dbraw/zinc/93/49/34/849934934.db2.gz LLHOMPCOHAAUAE-MJBXVCDLSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001038536736 849934941 /nfs/dbraw/zinc/93/49/41/849934941.db2.gz LLHOMPCOHAAUAE-MJBXVCDLSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001038703605 849988670 /nfs/dbraw/zinc/98/86/70/849988670.db2.gz KSNXMLCGNGRELR-UKRRQHHQSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001038703605 849988679 /nfs/dbraw/zinc/98/86/79/849988679.db2.gz KSNXMLCGNGRELR-UKRRQHHQSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038764953 850009682 /nfs/dbraw/zinc/00/96/82/850009682.db2.gz TVVBDXBFGWZDHM-NSHDSACASA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038764953 850009693 /nfs/dbraw/zinc/00/96/93/850009693.db2.gz TVVBDXBFGWZDHM-NSHDSACASA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038856631 850049225 /nfs/dbraw/zinc/04/92/25/850049225.db2.gz PQCMRCFOBHPRLE-NSHDSACASA-N 1 2 261.329 0.296 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038856631 850049232 /nfs/dbraw/zinc/04/92/32/850049232.db2.gz PQCMRCFOBHPRLE-NSHDSACASA-N 1 2 261.329 0.296 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001038863171 850051970 /nfs/dbraw/zinc/05/19/70/850051970.db2.gz FRTDSXPBZUCTNQ-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001038863171 850051975 /nfs/dbraw/zinc/05/19/75/850051975.db2.gz FRTDSXPBZUCTNQ-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001038924442 850086939 /nfs/dbraw/zinc/08/69/39/850086939.db2.gz CMJBYAXBKHJMBF-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001038924442 850086945 /nfs/dbraw/zinc/08/69/45/850086945.db2.gz CMJBYAXBKHJMBF-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001038945502 850097199 /nfs/dbraw/zinc/09/71/99/850097199.db2.gz OZDYQHAYPLCTJW-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001038945502 850097208 /nfs/dbraw/zinc/09/72/08/850097208.db2.gz OZDYQHAYPLCTJW-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001038992094 850113924 /nfs/dbraw/zinc/11/39/24/850113924.db2.gz NZEDHELEVMVUQM-DOMZBBRYSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001038992094 850113933 /nfs/dbraw/zinc/11/39/33/850113933.db2.gz NZEDHELEVMVUQM-DOMZBBRYSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCN(C(C)=O)CC1 ZINC001039000744 850117153 /nfs/dbraw/zinc/11/71/53/850117153.db2.gz RBHODNHHJTYNMP-CQSZACIVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCN(C(C)=O)CC1 ZINC001039000744 850117160 /nfs/dbraw/zinc/11/71/60/850117160.db2.gz RBHODNHHJTYNMP-CQSZACIVSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(OC)ncnc1OC ZINC001039077018 850147962 /nfs/dbraw/zinc/14/79/62/850147962.db2.gz CKPHTPQGKCZNES-SNVBAGLBSA-N 1 2 292.339 0.484 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(OC)ncnc1OC ZINC001039077018 850147967 /nfs/dbraw/zinc/14/79/67/850147967.db2.gz CKPHTPQGKCZNES-SNVBAGLBSA-N 1 2 292.339 0.484 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039078633 850149152 /nfs/dbraw/zinc/14/91/52/850149152.db2.gz BGSPDLIJIDTILE-NSHDSACASA-N 1 2 263.345 0.597 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039078633 850149157 /nfs/dbraw/zinc/14/91/57/850149157.db2.gz BGSPDLIJIDTILE-NSHDSACASA-N 1 2 263.345 0.597 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001039088355 850153366 /nfs/dbraw/zinc/15/33/66/850153366.db2.gz BCOUQQUTQDBSTG-QWHCGFSZSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001039088355 850153369 /nfs/dbraw/zinc/15/33/69/850153369.db2.gz BCOUQQUTQDBSTG-QWHCGFSZSA-N 1 2 262.353 0.627 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC#N ZINC001039974083 850249393 /nfs/dbraw/zinc/24/93/93/850249393.db2.gz LNACKDNAVLBFPX-BETUJISGSA-N 1 2 287.367 0.551 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042031911 850562786 /nfs/dbraw/zinc/56/27/86/850562786.db2.gz CYGMLECYRXEORR-OLZOCXBDSA-N 1 2 287.367 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001043190223 850830832 /nfs/dbraw/zinc/83/08/32/850830832.db2.gz GLEMVLFDZTXDGO-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(OC)n(C)n2)C1 ZINC001043295718 850849231 /nfs/dbraw/zinc/84/92/31/850849231.db2.gz UCCPGUGKUYUFLL-UHFFFAOYSA-N 1 2 278.356 0.761 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001043470516 850878721 /nfs/dbraw/zinc/87/87/21/850878721.db2.gz QPMBVWKTJAIMNJ-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001043916580 850964141 /nfs/dbraw/zinc/96/41/41/850964141.db2.gz WOTSUQPTPOXQEX-OLZOCXBDSA-N 1 2 268.357 0.367 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001043934480 850966322 /nfs/dbraw/zinc/96/63/22/850966322.db2.gz ADNDZMDWAAETBL-PWSUYJOCSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001044155005 851024901 /nfs/dbraw/zinc/02/49/01/851024901.db2.gz AOZNLEHJUKBVIB-JSGCOSHPSA-N 1 2 250.342 0.742 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001044333922 851080492 /nfs/dbraw/zinc/08/04/92/851080492.db2.gz ZECQYYLBZZVHSZ-NSHDSACASA-N 1 2 275.356 0.169 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095977712 851102888 /nfs/dbraw/zinc/10/28/88/851102888.db2.gz RBHVFAYYYDULNX-USWWRNFRSA-N 1 2 276.315 0.907 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095977712 851102892 /nfs/dbraw/zinc/10/28/92/851102892.db2.gz RBHVFAYYYDULNX-USWWRNFRSA-N 1 2 276.315 0.907 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)C[C@@H]1C ZINC001044840640 851166781 /nfs/dbraw/zinc/16/67/81/851166781.db2.gz KQOIJCZHLOJDFD-CMPLNLGQSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1csnn1 ZINC001044962954 851197504 /nfs/dbraw/zinc/19/75/04/851197504.db2.gz SRMQTCBNLLNBRH-ONGXEEELSA-N 1 2 279.369 0.778 20 30 CCEDLO CC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CCC1 ZINC001046051457 851356937 /nfs/dbraw/zinc/35/69/37/851356937.db2.gz HWXUMSOLUOTRIQ-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046197168 851416707 /nfs/dbraw/zinc/41/67/07/851416707.db2.gz JCEYSUNXMODYJS-MFKMUULPSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046197168 851416711 /nfs/dbraw/zinc/41/67/11/851416711.db2.gz JCEYSUNXMODYJS-MFKMUULPSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046233054 851432618 /nfs/dbraw/zinc/43/26/18/851432618.db2.gz ANNHPZMUMKWFQZ-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046233054 851432622 /nfs/dbraw/zinc/43/26/22/851432622.db2.gz ANNHPZMUMKWFQZ-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046374342 851479215 /nfs/dbraw/zinc/47/92/15/851479215.db2.gz MXTSWVQOABUAKQ-OAHLLOKOSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046374342 851479218 /nfs/dbraw/zinc/47/92/18/851479218.db2.gz MXTSWVQOABUAKQ-OAHLLOKOSA-N 1 2 290.367 0.354 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN(CC#N)C1 ZINC001046423120 851497335 /nfs/dbraw/zinc/49/73/35/851497335.db2.gz IMMDWKGJXGYBCY-IUODEOHRSA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046460038 851515162 /nfs/dbraw/zinc/51/51/62/851515162.db2.gz BSXSZSOFIJJQEQ-JSGCOSHPSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046460038 851515170 /nfs/dbraw/zinc/51/51/70/851515170.db2.gz BSXSZSOFIJJQEQ-JSGCOSHPSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001046980252 851652496 /nfs/dbraw/zinc/65/24/96/851652496.db2.gz JLKKUVDWWKNQTH-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001046980252 851652503 /nfs/dbraw/zinc/65/25/03/851652503.db2.gz JLKKUVDWWKNQTH-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046980252 851652508 /nfs/dbraw/zinc/65/25/08/851652508.db2.gz JLKKUVDWWKNQTH-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046980252 851652510 /nfs/dbraw/zinc/65/25/10/851652510.db2.gz JLKKUVDWWKNQTH-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047267553 851684224 /nfs/dbraw/zinc/68/42/24/851684224.db2.gz ZJNPNJZYFYWDLN-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047267553 851684225 /nfs/dbraw/zinc/68/42/25/851684225.db2.gz ZJNPNJZYFYWDLN-GJZGRUSLSA-N 1 2 291.326 0.721 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001047309532 851709632 /nfs/dbraw/zinc/70/96/32/851709632.db2.gz GXIJGGSTVIQWOL-STQMWFEESA-N 1 2 278.356 0.275 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001047309532 851709637 /nfs/dbraw/zinc/70/96/37/851709637.db2.gz GXIJGGSTVIQWOL-STQMWFEESA-N 1 2 278.356 0.275 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001047309522 851710144 /nfs/dbraw/zinc/71/01/44/851710144.db2.gz GMZQNEXWKPESPT-KBPBESRZSA-N 1 2 292.383 0.665 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001047309522 851710146 /nfs/dbraw/zinc/71/01/46/851710146.db2.gz GMZQNEXWKPESPT-KBPBESRZSA-N 1 2 292.383 0.665 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001047327648 851718814 /nfs/dbraw/zinc/71/88/14/851718814.db2.gz DVAHYAJNLYGYON-RYUDHWBXSA-N 1 2 264.329 0.021 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001047327648 851718816 /nfs/dbraw/zinc/71/88/16/851718816.db2.gz DVAHYAJNLYGYON-RYUDHWBXSA-N 1 2 264.329 0.021 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001047459803 851771215 /nfs/dbraw/zinc/77/12/15/851771215.db2.gz YQLDHXBNEVZJOG-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001047459803 851771219 /nfs/dbraw/zinc/77/12/19/851771219.db2.gz YQLDHXBNEVZJOG-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)cn1 ZINC001047599231 851830065 /nfs/dbraw/zinc/83/00/65/851830065.db2.gz MWFPGCALCFIGFK-KBPBESRZSA-N 1 2 291.326 0.150 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)cn1 ZINC001047599231 851830070 /nfs/dbraw/zinc/83/00/70/851830070.db2.gz MWFPGCALCFIGFK-KBPBESRZSA-N 1 2 291.326 0.150 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001047605172 851831823 /nfs/dbraw/zinc/83/18/23/851831823.db2.gz ZMVUMRAENCALRL-UWVGGRQHSA-N 1 2 297.742 0.468 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001047605172 851831831 /nfs/dbraw/zinc/83/18/31/851831831.db2.gz ZMVUMRAENCALRL-UWVGGRQHSA-N 1 2 297.742 0.468 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)onc2CC)C1 ZINC001047625034 851836993 /nfs/dbraw/zinc/83/69/93/851836993.db2.gz ZDMDAFVZXDALMM-STQMWFEESA-N 1 2 291.351 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)onc2CC)C1 ZINC001047625034 851837002 /nfs/dbraw/zinc/83/70/02/851837002.db2.gz ZDMDAFVZXDALMM-STQMWFEESA-N 1 2 291.351 0.296 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047634273 851840635 /nfs/dbraw/zinc/84/06/35/851840635.db2.gz AKDRWNYVYHTJRS-STQMWFEESA-N 1 2 297.786 0.813 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001047634273 851840639 /nfs/dbraw/zinc/84/06/39/851840639.db2.gz AKDRWNYVYHTJRS-STQMWFEESA-N 1 2 297.786 0.813 20 30 CCEDLO C=CCCC(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111426769 851860514 /nfs/dbraw/zinc/86/05/14/851860514.db2.gz KJCIXSXMKDNICQ-UHFFFAOYSA-N 1 2 278.356 0.984 20 30 CCEDLO CCC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096259898 851872402 /nfs/dbraw/zinc/87/24/02/851872402.db2.gz PIUVZURPPJMMDJ-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751433 852367294 /nfs/dbraw/zinc/36/72/94/852367294.db2.gz VTFRQQTXHVXKMD-CHWSQXEVSA-N 1 2 273.340 0.541 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001049807687 852377994 /nfs/dbraw/zinc/37/79/94/852377994.db2.gz UHKOHBRFYAMEOS-NEPJUHHUSA-N 1 2 273.340 0.541 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#N ZINC001049841325 852384178 /nfs/dbraw/zinc/38/41/78/852384178.db2.gz RNMSMMFDGYZNBC-KBPBESRZSA-N 1 2 287.367 0.551 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049933552 852399088 /nfs/dbraw/zinc/39/90/88/852399088.db2.gz QYPUDCAXJARFIV-OLZOCXBDSA-N 1 2 273.340 0.472 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096961227 852471688 /nfs/dbraw/zinc/47/16/88/852471688.db2.gz RVTXOAJOONLSHC-ZDUSSCGKSA-N 1 2 288.351 0.838 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097753380 852606815 /nfs/dbraw/zinc/60/68/15/852606815.db2.gz AGIBQMPPPTUWOC-DBIOUOCHSA-N 1 2 298.774 0.142 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097753380 852606822 /nfs/dbraw/zinc/60/68/22/852606822.db2.gz AGIBQMPPPTUWOC-DBIOUOCHSA-N 1 2 298.774 0.142 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 ZINC001053146189 852694442 /nfs/dbraw/zinc/69/44/42/852694442.db2.gz QFPKCEWWSOARKD-CYBMUJFWSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)CCO2 ZINC001053169264 852701104 /nfs/dbraw/zinc/70/11/04/852701104.db2.gz ULJKZIMCLOZBMI-UHFFFAOYSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)CCO2 ZINC001053169264 852701108 /nfs/dbraw/zinc/70/11/08/852701108.db2.gz ULJKZIMCLOZBMI-UHFFFAOYSA-N 1 2 276.340 0.513 20 30 CCEDLO O=C(C#CC1CC1)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053250551 852718713 /nfs/dbraw/zinc/71/87/13/852718713.db2.gz OQTGQTDBMAUHQO-UHFFFAOYSA-N 1 2 274.364 0.723 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncn1C)CCO2 ZINC001053330402 852729182 /nfs/dbraw/zinc/72/91/82/852729182.db2.gz PNVZVVFXVMBNKS-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnsn1)O2 ZINC001053575270 852762746 /nfs/dbraw/zinc/76/27/46/852762746.db2.gz TXYLYPGYRIHIGF-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cccn1)CO2 ZINC001053737481 852796796 /nfs/dbraw/zinc/79/67/96/852796796.db2.gz OSXDIIWCBPOWRV-ZDUSSCGKSA-N 1 2 290.367 0.419 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCOC1)CO2 ZINC001053755486 852806660 /nfs/dbraw/zinc/80/66/60/852806660.db2.gz GDPGKSINRQFNAL-UONOGXRCSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCO1)CO2 ZINC001053778729 852818811 /nfs/dbraw/zinc/81/88/11/852818811.db2.gz GZEAXRANRLZGEX-KBPBESRZSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncc1C)CO2 ZINC001053795310 852824453 /nfs/dbraw/zinc/82/44/53/852824453.db2.gz MEEHQOOGFNOGDF-AWEZNQCLSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1[nH]nnc1C)CO2 ZINC001053889985 852839805 /nfs/dbraw/zinc/83/98/05/852839805.db2.gz WTDRKLWLDURMEH-LLVKDONJSA-N 1 2 291.355 0.262 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(F)CCOC1)CO2 ZINC001053905467 852843623 /nfs/dbraw/zinc/84/36/23/852843623.db2.gz HREVKVGVIUZTCE-SWLSCSKDSA-N 1 2 296.342 0.098 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053930298 852849329 /nfs/dbraw/zinc/84/93/29/852849329.db2.gz BMJHTDCAXSMSBN-XQQFMLRXSA-N 1 2 280.368 0.557 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CC3)CO2 ZINC001053937789 852850941 /nfs/dbraw/zinc/85/09/41/852850941.db2.gz JZAZMRZYDXZISX-OLZOCXBDSA-N 1 2 274.364 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncn1)CO2 ZINC001053960447 852854083 /nfs/dbraw/zinc/85/40/83/852854083.db2.gz ADNURSPOJBBNBB-LBPRGKRZSA-N 1 2 286.335 0.073 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccncn1)CO2 ZINC001053960446 852854584 /nfs/dbraw/zinc/85/45/84/852854584.db2.gz ADNURSPOJBBNBB-GFCCVEGCSA-N 1 2 286.335 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCOC1)CO2 ZINC001053967271 852859138 /nfs/dbraw/zinc/85/91/38/852859138.db2.gz UXNXHHZWUMHPLL-HIFRSBDPSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1oncc1C)CO2 ZINC001053972422 852861380 /nfs/dbraw/zinc/86/13/80/852861380.db2.gz DYAFLWNJTQAIDM-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc[nH]1)CO2 ZINC001054014271 852870255 /nfs/dbraw/zinc/87/02/55/852870255.db2.gz KTTGFICKIFSQSP-CQSZACIVSA-N 1 2 287.363 0.540 20 30 CCEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001054640543 852986481 /nfs/dbraw/zinc/98/64/81/852986481.db2.gz ZGBSMXHTRIXDFZ-MFKMUULPSA-N 1 2 290.392 0.888 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001050804698 853440760 /nfs/dbraw/zinc/44/07/60/853440760.db2.gz BDHHXSSORQXYGJ-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001050804698 853440769 /nfs/dbraw/zinc/44/07/69/853440769.db2.gz BDHHXSSORQXYGJ-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050849052 853460891 /nfs/dbraw/zinc/46/08/91/853460891.db2.gz SBWSHPKZIBTWIZ-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050849052 853460895 /nfs/dbraw/zinc/46/08/95/853460895.db2.gz SBWSHPKZIBTWIZ-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001050973125 853498391 /nfs/dbraw/zinc/49/83/91/853498391.db2.gz SLWQDPKXXFPHSP-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001050973125 853498384 /nfs/dbraw/zinc/49/83/84/853498384.db2.gz SLWQDPKXXFPHSP-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050980093 853499778 /nfs/dbraw/zinc/49/97/78/853499778.db2.gz KJNWYFFNQANADU-LBPRGKRZSA-N 1 2 299.334 0.517 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001051004788 853506763 /nfs/dbraw/zinc/50/67/63/853506763.db2.gz PJXMQVMZOSHWPW-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001051004788 853506767 /nfs/dbraw/zinc/50/67/67/853506767.db2.gz PJXMQVMZOSHWPW-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001051065300 853515184 /nfs/dbraw/zinc/51/51/84/853515184.db2.gz DSZNYJZWYQXGJP-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001051065300 853515187 /nfs/dbraw/zinc/51/51/87/853515187.db2.gz DSZNYJZWYQXGJP-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC)cn1 ZINC001051217848 853547514 /nfs/dbraw/zinc/54/75/14/853547514.db2.gz WPVWBJXZNGTXCQ-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)cn1 ZINC001051217848 853547520 /nfs/dbraw/zinc/54/75/20/853547520.db2.gz WPVWBJXZNGTXCQ-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001051958664 853664058 /nfs/dbraw/zinc/66/40/58/853664058.db2.gz ZDBRHQOIOLLPHF-CQSZACIVSA-N 1 2 263.385 0.638 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc[nH]3)C2)CC1 ZINC001051982335 853669477 /nfs/dbraw/zinc/66/94/77/853669477.db2.gz DKPVAFVIMVVRHX-AWEZNQCLSA-N 1 2 286.379 0.480 20 30 CCEDLO CC(C)=C(F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052011813 853675803 /nfs/dbraw/zinc/67/58/03/853675803.db2.gz ZRNCUISVVQLVTA-ZDUSSCGKSA-N 1 2 294.374 0.992 20 30 CCEDLO CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052110584 853683356 /nfs/dbraw/zinc/68/33/56/853683356.db2.gz TTXBOAFPNYMDEZ-ZDUSSCGKSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001067716736 853856349 /nfs/dbraw/zinc/85/63/49/853856349.db2.gz YCJBHYYTJJWJJA-LBPRGKRZSA-N 1 2 291.355 0.350 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc[nH]1)C2 ZINC001098068134 853899013 /nfs/dbraw/zinc/89/90/13/853899013.db2.gz SHXXEBNKBLJYBD-MXWKQRLJSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc[nH]1)C2 ZINC001098068134 853899018 /nfs/dbraw/zinc/89/90/18/853899018.db2.gz SHXXEBNKBLJYBD-MXWKQRLJSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn[nH]1)C2 ZINC001098068134 853899023 /nfs/dbraw/zinc/89/90/23/853899023.db2.gz SHXXEBNKBLJYBD-MXWKQRLJSA-N 1 2 259.313 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069887670 853993431 /nfs/dbraw/zinc/99/34/31/853993431.db2.gz KOFHDJXGLOGZLL-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069887670 853993436 /nfs/dbraw/zinc/99/34/36/853993436.db2.gz KOFHDJXGLOGZLL-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001069904317 853996376 /nfs/dbraw/zinc/99/63/76/853996376.db2.gz SQZCJEYOSBETKL-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001069904317 853996382 /nfs/dbraw/zinc/99/63/82/853996382.db2.gz SQZCJEYOSBETKL-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCC#N ZINC001070612251 854081851 /nfs/dbraw/zinc/08/18/51/854081851.db2.gz ZNMJOTYKLQOFPC-NXEZZACHSA-N 1 2 297.309 0.483 20 30 CCEDLO CC[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070624937 854082532 /nfs/dbraw/zinc/08/25/32/854082532.db2.gz PJEXWSFWGACKRR-YNEHKIRRSA-N 1 2 289.383 0.874 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc[nH]2)CC1 ZINC001070938536 854107107 /nfs/dbraw/zinc/10/71/07/854107107.db2.gz YFIKUNNHWOKXJH-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc[nH]2)CC1 ZINC001070938536 854107111 /nfs/dbraw/zinc/10/71/11/854107111.db2.gz YFIKUNNHWOKXJH-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2=CCCC2)CC1 ZINC001070953972 854108388 /nfs/dbraw/zinc/10/83/88/854108388.db2.gz GIKHYCWCECFNHC-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2=CCCC2)CC1 ZINC001070953972 854108391 /nfs/dbraw/zinc/10/83/91/854108391.db2.gz GIKHYCWCECFNHC-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CC#Cc1ccccc1 ZINC001071783463 854289284 /nfs/dbraw/zinc/28/92/84/854289284.db2.gz PEKDASYACXQZFM-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CC#Cc1ccccc1 ZINC001071783463 854289290 /nfs/dbraw/zinc/28/92/90/854289290.db2.gz PEKDASYACXQZFM-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174698 854686556 /nfs/dbraw/zinc/68/65/56/854686556.db2.gz QAANCWQFKHNDJD-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174698 854686548 /nfs/dbraw/zinc/68/65/48/854686548.db2.gz QAANCWQFKHNDJD-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)c1 ZINC001074335597 854713529 /nfs/dbraw/zinc/71/35/29/854713529.db2.gz BEIMYPKGIVUNIP-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)c1 ZINC001074335597 854713532 /nfs/dbraw/zinc/71/35/32/854713532.db2.gz BEIMYPKGIVUNIP-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001098344326 854859148 /nfs/dbraw/zinc/85/91/48/854859148.db2.gz JYGWDCFWXPDVID-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccncc1C#N ZINC001098344326 854859153 /nfs/dbraw/zinc/85/91/53/854859153.db2.gz JYGWDCFWXPDVID-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001098733541 854879635 /nfs/dbraw/zinc/87/96/35/854879635.db2.gz LSGWJXYEPIKMHY-UONOGXRCSA-N 1 2 299.378 0.574 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc[nH]n2)C1 ZINC001099083329 854912563 /nfs/dbraw/zinc/91/25/63/854912563.db2.gz HCWVUMXIPBCLQZ-FZMZJTMJSA-N 1 2 273.340 0.412 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001100555137 855187077 /nfs/dbraw/zinc/18/70/77/855187077.db2.gz ASLYCUNULJHBNE-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC001100556081 855187626 /nfs/dbraw/zinc/18/76/26/855187626.db2.gz AWASQINKPVGWSC-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)OC)c1nccn12 ZINC001101612186 855325555 /nfs/dbraw/zinc/32/55/55/855325555.db2.gz RFKHZXVPEDDTCJ-RYUDHWBXSA-N 1 2 290.367 0.676 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C ZINC001102451199 855435268 /nfs/dbraw/zinc/43/52/68/855435268.db2.gz PDMMLKOZEMNZOP-JHJVBQTASA-N 1 2 289.383 0.796 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC001116594651 855794012 /nfs/dbraw/zinc/79/40/12/855794012.db2.gz LOEJZFWDVQVEDE-MFKMUULPSA-N 1 2 278.360 0.520 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COCc1cccnc1 ZINC001323339458 912279986 /nfs/dbraw/zinc/27/99/86/912279986.db2.gz GXKXOTAIXIQCAY-AWEZNQCLSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1cccnc1 ZINC001323339458 912280002 /nfs/dbraw/zinc/28/00/02/912280002.db2.gz GXKXOTAIXIQCAY-AWEZNQCLSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CCCCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001323436317 912343673 /nfs/dbraw/zinc/34/36/73/912343673.db2.gz WEWVFSRGTDHTJU-UHFFFAOYSA-N 1 2 275.356 0.357 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CO[C@@H]2CCOC2)C1 ZINC001323921916 912582082 /nfs/dbraw/zinc/58/20/82/912582082.db2.gz VRGYPRKNJTWPRC-CYBMUJFWSA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001324278651 912753415 /nfs/dbraw/zinc/75/34/15/912753415.db2.gz SYDBJDGMHOVJNE-UHFFFAOYSA-N 1 2 270.332 0.989 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001324278651 912753424 /nfs/dbraw/zinc/75/34/24/912753424.db2.gz SYDBJDGMHOVJNE-UHFFFAOYSA-N 1 2 270.332 0.989 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324646103 912962152 /nfs/dbraw/zinc/96/21/52/912962152.db2.gz GRSQLAQBHRBYRW-LALPHHSUSA-N 1 2 292.383 0.253 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324646103 912962160 /nfs/dbraw/zinc/96/21/60/912962160.db2.gz GRSQLAQBHRBYRW-LALPHHSUSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001324915089 913095407 /nfs/dbraw/zinc/09/54/07/913095407.db2.gz PIYXAIFNKWRDPL-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001325266089 913309005 /nfs/dbraw/zinc/30/90/05/913309005.db2.gz YFPDXAJDAASBHL-STQMWFEESA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001325280853 913317806 /nfs/dbraw/zinc/31/78/06/913317806.db2.gz FFWLUEQWBSKSMC-UHFFFAOYSA-N 1 2 297.358 0.968 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(CCO)c2C)nn1 ZINC001325739386 913555271 /nfs/dbraw/zinc/55/52/71/913555271.db2.gz WRDALCCISBPMNY-UHFFFAOYSA-N 1 2 290.371 0.560 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001347472946 891568653 /nfs/dbraw/zinc/56/86/53/891568653.db2.gz NLCORULJMMKHOL-CQSZACIVSA-N 1 2 269.389 0.066 20 30 CCEDLO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1csnn1 ZINC001348972492 891725942 /nfs/dbraw/zinc/72/59/42/891725942.db2.gz KJMCCZIXZNFFHP-ZJUUUORDSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1csnn1 ZINC001348972492 891725954 /nfs/dbraw/zinc/72/59/54/891725954.db2.gz KJMCCZIXZNFFHP-ZJUUUORDSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1csnn1 ZINC001348972492 891725967 /nfs/dbraw/zinc/72/59/67/891725967.db2.gz KJMCCZIXZNFFHP-ZJUUUORDSA-N 1 2 269.374 0.395 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCC)C1 ZINC001325818729 913593628 /nfs/dbraw/zinc/59/36/28/913593628.db2.gz RCHSQCSFQAJDFW-OAHLLOKOSA-N 1 2 297.399 0.032 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCC)C1 ZINC001325818729 913593636 /nfs/dbraw/zinc/59/36/36/913593636.db2.gz RCHSQCSFQAJDFW-OAHLLOKOSA-N 1 2 297.399 0.032 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001480955960 891955470 /nfs/dbraw/zinc/95/54/70/891955470.db2.gz WIKGJJMQSROVPE-LLVKDONJSA-N 1 2 289.807 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001480955960 891955487 /nfs/dbraw/zinc/95/54/87/891955487.db2.gz WIKGJJMQSROVPE-LLVKDONJSA-N 1 2 289.807 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCNC(N)=O ZINC001481015653 892056628 /nfs/dbraw/zinc/05/66/28/892056628.db2.gz LCPIQYLYIUBCTP-UHFFFAOYSA-N 1 2 276.768 0.235 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCNC(N)=O ZINC001481015653 892056642 /nfs/dbraw/zinc/05/66/42/892056642.db2.gz LCPIQYLYIUBCTP-UHFFFAOYSA-N 1 2 276.768 0.235 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001481226170 892394067 /nfs/dbraw/zinc/39/40/67/892394067.db2.gz XJSUWWYKNHIGNM-HZMBPMFUSA-N 1 2 296.371 0.814 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CC1CC1 ZINC001481464857 892705026 /nfs/dbraw/zinc/70/50/26/892705026.db2.gz KPUIMVKIEBEVKE-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO Cc1nc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)co1 ZINC001481469200 892713127 /nfs/dbraw/zinc/71/31/27/892713127.db2.gz WLOPFVQLIDTTJZ-UHFFFAOYSA-N 1 2 291.355 0.196 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001481535745 892784803 /nfs/dbraw/zinc/78/48/03/892784803.db2.gz RFKSXPFPQUHRLJ-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001481535745 892784816 /nfs/dbraw/zinc/78/48/16/892784816.db2.gz RFKSXPFPQUHRLJ-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1cnsn1 ZINC001326022653 913699868 /nfs/dbraw/zinc/69/98/68/913699868.db2.gz SKJCIMTZOAOUFK-UHFFFAOYSA-N 1 2 296.396 0.108 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cn(C)cn2)C1 ZINC001481554030 892825978 /nfs/dbraw/zinc/82/59/78/892825978.db2.gz MQMONPQYDFMWRI-UHFFFAOYSA-N 1 2 264.329 0.037 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001481573368 892843939 /nfs/dbraw/zinc/84/39/39/892843939.db2.gz WOCYFHJMJACFDI-LBPRGKRZSA-N 1 2 274.368 0.737 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 ZINC001481609065 892893167 /nfs/dbraw/zinc/89/31/67/892893167.db2.gz PDLBCONKCMQTEL-HNNXBMFYSA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)CCCC(C)=O)C1 ZINC001481611971 892900906 /nfs/dbraw/zinc/90/09/06/892900906.db2.gz JOHGKQMDBCWIOA-UHFFFAOYSA-N 1 2 250.342 0.817 20 30 CCEDLO Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001481617609 892911387 /nfs/dbraw/zinc/91/13/87/892911387.db2.gz MPQBMULTZFASHN-JTQLQIEISA-N 1 2 273.340 0.493 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001481623006 892924196 /nfs/dbraw/zinc/92/41/96/892924196.db2.gz UDISSDUHJPYHFG-OAHLLOKOSA-N 1 2 293.367 0.858 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001481636901 892944473 /nfs/dbraw/zinc/94/44/73/892944473.db2.gz PQWXXXCXKVVQSL-OAHLLOKOSA-N 1 2 297.399 0.009 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001481646125 892962209 /nfs/dbraw/zinc/96/22/09/892962209.db2.gz CKRYZULDZQNPQS-CHWSQXEVSA-N 1 2 279.384 0.383 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001481668278 892986625 /nfs/dbraw/zinc/98/66/25/892986625.db2.gz GPKCCVMPPPNYPE-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001481668278 892986631 /nfs/dbraw/zinc/98/66/31/892986631.db2.gz GPKCCVMPPPNYPE-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001481700571 893037490 /nfs/dbraw/zinc/03/74/90/893037490.db2.gz SROPTNLZGUCKMA-NEPJUHHUSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001481700571 893037509 /nfs/dbraw/zinc/03/75/09/893037509.db2.gz SROPTNLZGUCKMA-NEPJUHHUSA-N 1 2 297.424 0.068 20 30 CCEDLO CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001481884166 893244536 /nfs/dbraw/zinc/24/45/36/893244536.db2.gz XRJQJCSOQYWROV-LBPRGKRZSA-N 1 2 263.345 0.671 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)CCC(F)F ZINC001482613122 894409521 /nfs/dbraw/zinc/40/95/21/894409521.db2.gz CAQSYTJQBYKHJP-UHFFFAOYSA-N 1 2 290.314 0.062 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)CCC(F)F ZINC001482613122 894409523 /nfs/dbraw/zinc/40/95/23/894409523.db2.gz CAQSYTJQBYKHJP-UHFFFAOYSA-N 1 2 290.314 0.062 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001396505744 913903342 /nfs/dbraw/zinc/90/33/42/913903342.db2.gz YVAMAWFCRYBHRY-RYUDHWBXSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001409606520 895276421 /nfs/dbraw/zinc/27/64/21/895276421.db2.gz YVTSKALBSJQZCP-SCZZXKLOSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001409606520 895276432 /nfs/dbraw/zinc/27/64/32/895276432.db2.gz YVTSKALBSJQZCP-SCZZXKLOSA-N 1 2 275.780 0.687 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631543 895752325 /nfs/dbraw/zinc/75/23/25/895752325.db2.gz UCFNDRWGSPTIQA-ZIAGYGMSSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631543 895752344 /nfs/dbraw/zinc/75/23/44/895752344.db2.gz UCFNDRWGSPTIQA-ZIAGYGMSSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001483639509 895773963 /nfs/dbraw/zinc/77/39/63/895773963.db2.gz IROLZSMSOARBJH-ZYHUDNBSSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001483639509 895773971 /nfs/dbraw/zinc/77/39/71/895773971.db2.gz IROLZSMSOARBJH-ZYHUDNBSSA-N 1 2 261.329 0.270 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001483704380 895882989 /nfs/dbraw/zinc/88/29/89/895882989.db2.gz BDXVAZIMUXDHDY-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001483704380 895883002 /nfs/dbraw/zinc/88/30/02/895883002.db2.gz BDXVAZIMUXDHDY-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001483858545 896078864 /nfs/dbraw/zinc/07/88/64/896078864.db2.gz ZHVGWLTZLPMBBD-UHFFFAOYSA-N 1 2 291.351 0.746 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCn2cnccc2=O)C1 ZINC001483884215 896094807 /nfs/dbraw/zinc/09/48/07/896094807.db2.gz GHEIPOGVHOMCAE-UHFFFAOYSA-N 1 2 290.367 0.352 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484061691 896180003 /nfs/dbraw/zinc/18/00/03/896180003.db2.gz WSSOBLIBYFRTNH-DOMZBBRYSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484061691 896180006 /nfs/dbraw/zinc/18/00/06/896180006.db2.gz WSSOBLIBYFRTNH-DOMZBBRYSA-N 1 2 294.399 0.499 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001326630169 914062840 /nfs/dbraw/zinc/06/28/40/914062840.db2.gz ZMBYULRIZSOYTF-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001326630169 914062858 /nfs/dbraw/zinc/06/28/58/914062858.db2.gz ZMBYULRIZSOYTF-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001484603484 896491364 /nfs/dbraw/zinc/49/13/64/896491364.db2.gz NDKTWIPWYYYDHO-KGLIPLIRSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001484603484 896491369 /nfs/dbraw/zinc/49/13/69/896491369.db2.gz NDKTWIPWYYYDHO-KGLIPLIRSA-N 1 2 297.399 0.294 20 30 CCEDLO CCOCCC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484593734 896491792 /nfs/dbraw/zinc/49/17/92/896491792.db2.gz ZFURHPZUOSIPAC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO CCOCCC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484593734 896491797 /nfs/dbraw/zinc/49/17/97/896491797.db2.gz ZFURHPZUOSIPAC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)COCC)C2)CC1 ZINC001484703739 896548747 /nfs/dbraw/zinc/54/87/47/896548747.db2.gz JJIYJFNJJXSXCW-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485495515 897083809 /nfs/dbraw/zinc/08/38/09/897083809.db2.gz BAZTUNMEPNHUNU-LLVKDONJSA-N 1 2 278.356 0.029 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001326754701 914138708 /nfs/dbraw/zinc/13/87/08/914138708.db2.gz HSRXHJOBNJBWFQ-CABZTGNLSA-N 1 2 250.302 0.633 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001326754701 914138717 /nfs/dbraw/zinc/13/87/17/914138717.db2.gz HSRXHJOBNJBWFQ-CABZTGNLSA-N 1 2 250.302 0.633 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001077725151 897346543 /nfs/dbraw/zinc/34/65/43/897346543.db2.gz NJOZOFUDUXDUKG-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001077725151 897346554 /nfs/dbraw/zinc/34/65/54/897346554.db2.gz NJOZOFUDUXDUKG-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001107870123 897401853 /nfs/dbraw/zinc/40/18/53/897401853.db2.gz OOWTVTZGYATTMC-SWLSCSKDSA-N 1 2 296.367 0.333 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001107870123 897401866 /nfs/dbraw/zinc/40/18/66/897401866.db2.gz OOWTVTZGYATTMC-SWLSCSKDSA-N 1 2 296.367 0.333 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(F)F ZINC001032390798 897413077 /nfs/dbraw/zinc/41/30/77/897413077.db2.gz XSUDHYZKHJZGKG-GARJFASQSA-N 1 2 254.280 0.950 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(F)F ZINC001032390798 897413079 /nfs/dbraw/zinc/41/30/79/897413079.db2.gz XSUDHYZKHJZGKG-GARJFASQSA-N 1 2 254.280 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2OCCCO2)C1 ZINC001107895179 897451836 /nfs/dbraw/zinc/45/18/36/897451836.db2.gz IPNJTHFMQVQGEP-HNNXBMFYSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2OCCCO2)C1 ZINC001107895179 897451843 /nfs/dbraw/zinc/45/18/43/897451843.db2.gz IPNJTHFMQVQGEP-HNNXBMFYSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2CC)C1 ZINC001107894127 897457476 /nfs/dbraw/zinc/45/74/76/897457476.db2.gz UKUBSGZPYSHRJC-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2CC)C1 ZINC001107894127 897457479 /nfs/dbraw/zinc/45/74/79/897457479.db2.gz UKUBSGZPYSHRJC-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2n1 ZINC001032436078 897558352 /nfs/dbraw/zinc/55/83/52/897558352.db2.gz QNWHVGSPFAKBCG-QWRGUYRKSA-N 1 2 296.334 0.275 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2n1 ZINC001032436078 897558367 /nfs/dbraw/zinc/55/83/67/897558367.db2.gz QNWHVGSPFAKBCG-QWRGUYRKSA-N 1 2 296.334 0.275 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCCO[C@H]1C ZINC001032452847 897586800 /nfs/dbraw/zinc/58/68/00/897586800.db2.gz KECMDWCIGDMOLK-XUXIUFHCSA-N 1 2 278.352 0.099 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCCO[C@H]1C ZINC001032452847 897586816 /nfs/dbraw/zinc/58/68/16/897586816.db2.gz KECMDWCIGDMOLK-XUXIUFHCSA-N 1 2 278.352 0.099 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)on1 ZINC001032457885 897592398 /nfs/dbraw/zinc/59/23/98/897592398.db2.gz SEFKYZDEHWXLBT-STQMWFEESA-N 1 2 289.335 0.670 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)on1 ZINC001032457885 897592410 /nfs/dbraw/zinc/59/24/10/897592410.db2.gz SEFKYZDEHWXLBT-STQMWFEESA-N 1 2 289.335 0.670 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1CC ZINC001032454073 897592785 /nfs/dbraw/zinc/59/27/85/897592785.db2.gz BRDNYYNPOILREB-RFGFWPKPSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1CC ZINC001032454073 897592797 /nfs/dbraw/zinc/59/27/97/897592797.db2.gz BRDNYYNPOILREB-RFGFWPKPSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001032467151 897603163 /nfs/dbraw/zinc/60/31/63/897603163.db2.gz CMMUSWPONHSQDY-GARJFASQSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001032467151 897603175 /nfs/dbraw/zinc/60/31/75/897603175.db2.gz CMMUSWPONHSQDY-GARJFASQSA-N 1 2 254.280 0.950 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1F ZINC001032758422 898110820 /nfs/dbraw/zinc/11/08/20/898110820.db2.gz QYZAWDGKWDXNPF-QWRGUYRKSA-N 1 2 278.331 0.952 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1F ZINC001032758422 898110828 /nfs/dbraw/zinc/11/08/28/898110828.db2.gz QYZAWDGKWDXNPF-QWRGUYRKSA-N 1 2 278.331 0.952 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1C ZINC001032776853 898164431 /nfs/dbraw/zinc/16/44/31/898164431.db2.gz DDVRQPPVPWBDCG-STQMWFEESA-N 1 2 273.336 0.752 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1C ZINC001032776853 898164440 /nfs/dbraw/zinc/16/44/40/898164440.db2.gz DDVRQPPVPWBDCG-STQMWFEESA-N 1 2 273.336 0.752 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001078045708 898205483 /nfs/dbraw/zinc/20/54/83/898205483.db2.gz AGXAXXBYSHYRFO-CHWSQXEVSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001078045708 898205500 /nfs/dbraw/zinc/20/55/00/898205500.db2.gz AGXAXXBYSHYRFO-CHWSQXEVSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001078074122 898212859 /nfs/dbraw/zinc/21/28/59/898212859.db2.gz QYXXCSHWODMTJF-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001078074122 898212875 /nfs/dbraw/zinc/21/28/75/898212875.db2.gz QYXXCSHWODMTJF-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001078167774 898283962 /nfs/dbraw/zinc/28/39/62/898283962.db2.gz PUDDBLOPTLVBQQ-CHWSQXEVSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001078167774 898283974 /nfs/dbraw/zinc/28/39/74/898283974.db2.gz PUDDBLOPTLVBQQ-CHWSQXEVSA-N 1 2 291.351 0.344 20 30 CCEDLO COCC#CCN1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494458970 899116127 /nfs/dbraw/zinc/11/61/27/899116127.db2.gz ZDFWJWZOZMJDAM-ZDUSSCGKSA-N 1 2 290.367 0.284 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490528674 900647677 /nfs/dbraw/zinc/64/76/77/900647677.db2.gz NUCXXHCTEYPXGZ-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490528674 900647684 /nfs/dbraw/zinc/64/76/84/900647684.db2.gz NUCXXHCTEYPXGZ-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CCO1 ZINC001490508181 900656663 /nfs/dbraw/zinc/65/66/63/900656663.db2.gz XGFRDBFWCDFUES-KBPBESRZSA-N 1 2 294.399 0.059 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)ccn1 ZINC001412224631 901579694 /nfs/dbraw/zinc/57/96/94/901579694.db2.gz CUOYVKUILFXJOX-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)ccn1 ZINC001412224631 901579700 /nfs/dbraw/zinc/57/97/00/901579700.db2.gz CUOYVKUILFXJOX-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CNC(C)=O ZINC001491197021 903436793 /nfs/dbraw/zinc/43/67/93/903436793.db2.gz UNCVWPBMNKQWJO-GFCCVEGCSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(C)=O ZINC001491197021 903436801 /nfs/dbraw/zinc/43/68/01/903436801.db2.gz UNCVWPBMNKQWJO-GFCCVEGCSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cn2cccn2)C1 ZINC001282505178 904495292 /nfs/dbraw/zinc/49/52/92/904495292.db2.gz FOVFXQIHCMOIBP-UHFFFAOYSA-N 1 2 278.356 0.012 20 30 CCEDLO C=CC(C)(C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001282518173 904498279 /nfs/dbraw/zinc/49/82/79/904498279.db2.gz KBRGHFNWGXXBEQ-GFCCVEGCSA-N 1 2 284.400 0.523 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001282820723 904547394 /nfs/dbraw/zinc/54/73/94/904547394.db2.gz MCKGDHZFTQRBSU-ZDUSSCGKSA-N 1 2 289.383 0.587 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001282820723 904547405 /nfs/dbraw/zinc/54/74/05/904547405.db2.gz MCKGDHZFTQRBSU-ZDUSSCGKSA-N 1 2 289.383 0.587 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283634089 904942695 /nfs/dbraw/zinc/94/26/95/904942695.db2.gz WDTWQAFLJAAUFG-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001283793935 905020873 /nfs/dbraw/zinc/02/08/73/905020873.db2.gz YJMIDQPHZGGQQG-KOLCDFICSA-N 1 2 295.387 0.453 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nn1 ZINC001378100282 905417742 /nfs/dbraw/zinc/41/77/42/905417742.db2.gz BFZWUQKPOUSUDF-GHMZBOCLSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nn1 ZINC001378100282 905417746 /nfs/dbraw/zinc/41/77/46/905417746.db2.gz BFZWUQKPOUSUDF-GHMZBOCLSA-N 1 2 289.339 0.335 20 30 CCEDLO CC[C@@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001285057906 905540937 /nfs/dbraw/zinc/54/09/37/905540937.db2.gz ZXJFSLGCJVCPKW-ZDUSSCGKSA-N 1 2 288.351 0.308 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@@H]2C[C@H]2C)CC1 ZINC001286473582 905880702 /nfs/dbraw/zinc/88/07/02/905880702.db2.gz UFJHJHKXFHXRTP-DGCLKSJQSA-N 1 2 259.357 0.923 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC1(C#N)CCOCC1 ZINC001293574044 906495249 /nfs/dbraw/zinc/49/52/49/906495249.db2.gz COHMHQRQVUVESN-UHFFFAOYSA-N 1 2 262.313 0.542 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001380949882 907009777 /nfs/dbraw/zinc/00/97/77/907009777.db2.gz QPRTVYBTHFBCDM-RYUDHWBXSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001380949882 907009796 /nfs/dbraw/zinc/00/97/96/907009796.db2.gz QPRTVYBTHFBCDM-RYUDHWBXSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001381080658 907067909 /nfs/dbraw/zinc/06/79/09/907067909.db2.gz OIACGKHRGLIIGM-ZDUSSCGKSA-N 1 2 287.363 0.983 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001491717631 907537297 /nfs/dbraw/zinc/53/72/97/907537297.db2.gz CQAVUPOQZGVRJX-JTQLQIEISA-N 1 2 282.369 0.431 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001317443435 908243914 /nfs/dbraw/zinc/24/39/14/908243914.db2.gz ACNNNPMGSQWYNN-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001317443435 908243924 /nfs/dbraw/zinc/24/39/24/908243924.db2.gz ACNNNPMGSQWYNN-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCNC(=O)C2CC2)n1 ZINC001307734704 908338961 /nfs/dbraw/zinc/33/89/61/908338961.db2.gz AFFTVBIOPHUKGU-UHFFFAOYSA-N 1 2 274.368 0.864 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCNC(=O)C2CC2)n1 ZINC001307734704 908338977 /nfs/dbraw/zinc/33/89/77/908338977.db2.gz AFFTVBIOPHUKGU-UHFFFAOYSA-N 1 2 274.368 0.864 20 30 CCEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)C2CC2)n1 ZINC001308435827 908419388 /nfs/dbraw/zinc/41/93/88/908419388.db2.gz GKPUQASYKFFTKW-UHFFFAOYSA-N 1 2 271.367 0.682 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC2CCOCC2)CC1 ZINC001313442872 908671172 /nfs/dbraw/zinc/67/11/72/908671172.db2.gz JQJKBKVLMBUBFY-UHFFFAOYSA-N 1 2 264.369 0.971 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001316796263 908774659 /nfs/dbraw/zinc/77/46/59/908774659.db2.gz ZDPZELDOYXVXIP-WZRBSPASSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001316796263 908774673 /nfs/dbraw/zinc/77/46/73/908774673.db2.gz ZDPZELDOYXVXIP-WZRBSPASSA-N 1 2 275.356 0.691 20 30 CCEDLO C=CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001317084598 908969606 /nfs/dbraw/zinc/96/96/06/908969606.db2.gz RHAMGOIAVYOBGU-XYPYZODXSA-N 1 2 278.360 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387290513 909095007 /nfs/dbraw/zinc/09/50/07/909095007.db2.gz KYQOFSHOVGZLLM-MNOVXSKESA-N 1 2 289.339 0.077 20 30 CCEDLO Cn1nccc1C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001317448090 909220318 /nfs/dbraw/zinc/22/03/18/909220318.db2.gz NDFYMADBMUJFCE-UHFFFAOYSA-N 1 2 260.341 0.382 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001317448090 909220332 /nfs/dbraw/zinc/22/03/32/909220332.db2.gz NDFYMADBMUJFCE-UHFFFAOYSA-N 1 2 260.341 0.382 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001317503854 909275448 /nfs/dbraw/zinc/27/54/48/909275448.db2.gz TVVLJGMEAXNJBT-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001317503854 909275462 /nfs/dbraw/zinc/27/54/62/909275462.db2.gz TVVLJGMEAXNJBT-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317524449 909293324 /nfs/dbraw/zinc/29/33/24/909293324.db2.gz XIHHRQHKFPYGEY-UWVGGRQHSA-N 1 2 263.301 0.167 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317524449 909293340 /nfs/dbraw/zinc/29/33/40/909293340.db2.gz XIHHRQHKFPYGEY-UWVGGRQHSA-N 1 2 263.301 0.167 20 30 CCEDLO C=C(Cl)C[NH2+]CCN(C)C(=O)Cc1ncn[nH]1 ZINC001317648181 909444081 /nfs/dbraw/zinc/44/40/81/909444081.db2.gz FZGHURPAEMKAIZ-UHFFFAOYSA-N 1 2 257.725 0.148 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CC(F)(F)F)CC1 ZINC001317816625 909509864 /nfs/dbraw/zinc/50/98/64/909509864.db2.gz JYANNZVKTNZKEK-UHFFFAOYSA-N 1 2 291.317 0.648 20 30 CCEDLO CC(C)OCCC[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001318009821 909574038 /nfs/dbraw/zinc/57/40/38/909574038.db2.gz LFUWFQMGMGSUOB-NSHDSACASA-N 1 2 253.346 0.762 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](OCC)[C@H]2CCOC2)C1 ZINC001318048133 909595852 /nfs/dbraw/zinc/59/58/52/909595852.db2.gz QEEZHBDNLWLARM-GXTWGEPZSA-N 1 2 280.368 0.252 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCCC(=O)N(C)C)C1 ZINC001318079793 909611096 /nfs/dbraw/zinc/61/10/96/909611096.db2.gz LCNJPGLPADKJEK-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](CC)N2CCCC2=O)C1 ZINC001318087104 909615210 /nfs/dbraw/zinc/61/52/10/909615210.db2.gz LWEXVXLLWCJWTD-CYBMUJFWSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCN(CC#C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001338563058 921510943 /nfs/dbraw/zinc/51/09/43/921510943.db2.gz YVKHRJYJIZWHTB-UHFFFAOYSA-N 1 2 271.368 0.874 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(F)(F)F ZINC001318188472 909656142 /nfs/dbraw/zinc/65/61/42/909656142.db2.gz XLTPNIVPYWGHNF-QWRGUYRKSA-N 1 2 290.285 0.874 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(F)(F)F ZINC001318188472 909656149 /nfs/dbraw/zinc/65/61/49/909656149.db2.gz XLTPNIVPYWGHNF-QWRGUYRKSA-N 1 2 290.285 0.874 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001318230859 909668829 /nfs/dbraw/zinc/66/88/29/909668829.db2.gz BRZLAQJGPJDJSK-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001318230859 909668834 /nfs/dbraw/zinc/66/88/34/909668834.db2.gz BRZLAQJGPJDJSK-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001318269478 909682916 /nfs/dbraw/zinc/68/29/16/909682916.db2.gz SDCFDPAMCRIXMF-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001318269478 909682926 /nfs/dbraw/zinc/68/29/26/909682926.db2.gz SDCFDPAMCRIXMF-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001318349148 909718921 /nfs/dbraw/zinc/71/89/21/909718921.db2.gz AOXYGLBYTCVOJL-CYBMUJFWSA-N 1 2 289.383 0.699 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001318349148 909718931 /nfs/dbraw/zinc/71/89/31/909718931.db2.gz AOXYGLBYTCVOJL-CYBMUJFWSA-N 1 2 289.383 0.699 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)CC)C1 ZINC001318477800 909776503 /nfs/dbraw/zinc/77/65/03/909776503.db2.gz IIQZCLWSBYRVAE-STQMWFEESA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)CC)C1 ZINC001318477800 909776505 /nfs/dbraw/zinc/77/65/05/909776505.db2.gz IIQZCLWSBYRVAE-STQMWFEESA-N 1 2 299.390 0.960 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001318541926 909805582 /nfs/dbraw/zinc/80/55/82/909805582.db2.gz PAXIMKXRJAVPLO-NEPJUHHUSA-N 1 2 275.356 0.453 20 30 CCEDLO C=CCCC(=O)NC1(C[NH2+]Cc2nnn(C)n2)CCCC1 ZINC001318625489 909838908 /nfs/dbraw/zinc/83/89/08/909838908.db2.gz AMBYHDXCTDIHRP-UHFFFAOYSA-N 1 2 292.387 0.695 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001319311128 910090096 /nfs/dbraw/zinc/09/00/96/910090096.db2.gz YBCSFVBPCGAGQM-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001319311128 910090114 /nfs/dbraw/zinc/09/01/14/910090114.db2.gz YBCSFVBPCGAGQM-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC(C)(C)C1 ZINC001319995249 910406789 /nfs/dbraw/zinc/40/67/89/910406789.db2.gz PTGOQFXVXRAVPI-UHFFFAOYSA-N 1 2 293.411 0.562 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC(C)(C)C1 ZINC001319995249 910406803 /nfs/dbraw/zinc/40/68/03/910406803.db2.gz PTGOQFXVXRAVPI-UHFFFAOYSA-N 1 2 293.411 0.562 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001320090151 910457641 /nfs/dbraw/zinc/45/76/41/910457641.db2.gz ITGSXAUJVAMJAX-LLVKDONJSA-N 1 2 276.402 0.243 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001320090151 910457653 /nfs/dbraw/zinc/45/76/53/910457653.db2.gz ITGSXAUJVAMJAX-LLVKDONJSA-N 1 2 276.402 0.243 20 30 CCEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001320123187 910475100 /nfs/dbraw/zinc/47/51/00/910475100.db2.gz NHDBJJHMUXQMHX-UHFFFAOYSA-N 1 2 274.324 0.849 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320232232 910524288 /nfs/dbraw/zinc/52/42/88/910524288.db2.gz NRDBTYNRGYWNRU-NKWVEPMBSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001320232232 910524312 /nfs/dbraw/zinc/52/43/12/910524312.db2.gz NRDBTYNRGYWNRU-NKWVEPMBSA-N 1 2 258.215 0.140 20 30 CCEDLO C#CC[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001320743504 910837726 /nfs/dbraw/zinc/83/77/26/910837726.db2.gz JXWNBRCVLWUVQV-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[NH2+]CCN(CC)C(=O)[C@H](F)C(F)(F)F ZINC001320743504 910837739 /nfs/dbraw/zinc/83/77/39/910837739.db2.gz JXWNBRCVLWUVQV-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001391372736 911080761 /nfs/dbraw/zinc/08/07/61/911080761.db2.gz BKLPNQLXQTWODP-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001391372736 911080780 /nfs/dbraw/zinc/08/07/80/911080780.db2.gz BKLPNQLXQTWODP-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO CCc1nc(C[NH2+]CCCN(C)C(=O)C#CC2CC2)no1 ZINC001322502438 911836513 /nfs/dbraw/zinc/83/65/13/911836513.db2.gz NQFBCCRMCBZGRZ-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001329047548 915624526 /nfs/dbraw/zinc/62/45/26/915624526.db2.gz YBOUMMKKEZYSGD-LBPRGKRZSA-N 1 2 288.351 0.234 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 ZINC001400687851 915860579 /nfs/dbraw/zinc/86/05/79/915860579.db2.gz CPJQGOBORQIPON-SMDDNHRTSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 ZINC001400687851 915860591 /nfs/dbraw/zinc/86/05/91/915860591.db2.gz CPJQGOBORQIPON-SMDDNHRTSA-N 1 2 287.367 0.977 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)OC)C1 ZINC001329972732 916324848 /nfs/dbraw/zinc/32/48/48/916324848.db2.gz RINBAHDPDRETCK-NWDGAFQWSA-N 1 2 297.399 0.150 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001402079997 916798716 /nfs/dbraw/zinc/79/87/16/916798716.db2.gz NVWWOWULBLTKIT-NWDGAFQWSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001402079997 916798724 /nfs/dbraw/zinc/79/87/24/916798724.db2.gz NVWWOWULBLTKIT-NWDGAFQWSA-N 1 2 275.356 0.660 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC001330867192 916933141 /nfs/dbraw/zinc/93/31/41/916933141.db2.gz JYJYOQSBQWKSNP-LBPRGKRZSA-N 1 2 269.341 0.679 20 30 CCEDLO C#CCOCC[N@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC001330867192 916933145 /nfs/dbraw/zinc/93/31/45/916933145.db2.gz JYJYOQSBQWKSNP-LBPRGKRZSA-N 1 2 269.341 0.679 20 30 CCEDLO C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001331006774 917016474 /nfs/dbraw/zinc/01/64/74/917016474.db2.gz DLYPQAVEVCEDPS-HDJSIYSDSA-N 1 2 291.395 0.459 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001331406902 917311375 /nfs/dbraw/zinc/31/13/75/917311375.db2.gz PELCBUHLUXMBQH-BDAKNGLRSA-N 1 2 265.317 0.474 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001331773316 917592661 /nfs/dbraw/zinc/59/26/61/917592661.db2.gz UGCYSSMHFQONLD-RYUDHWBXSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001403634909 917869589 /nfs/dbraw/zinc/86/95/89/917869589.db2.gz GGODLIHSUOTWRW-RYUDHWBXSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001403634909 917869603 /nfs/dbraw/zinc/86/96/03/917869603.db2.gz GGODLIHSUOTWRW-RYUDHWBXSA-N 1 2 290.791 0.838 20 30 CCEDLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001332180166 917937317 /nfs/dbraw/zinc/93/73/17/917937317.db2.gz WLYCXCOCWBAATM-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001332180166 917937329 /nfs/dbraw/zinc/93/73/29/917937329.db2.gz WLYCXCOCWBAATM-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001404407699 918338595 /nfs/dbraw/zinc/33/85/95/918338595.db2.gz FZQZWLDPLRUVBI-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001404407699 918338608 /nfs/dbraw/zinc/33/86/08/918338608.db2.gz FZQZWLDPLRUVBI-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO N#CC[C@@H](O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC001332847836 918482948 /nfs/dbraw/zinc/48/29/48/918482948.db2.gz HJKIOEAZYIIJRP-LDYMZIIASA-N 1 2 256.252 0.862 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001406588181 919372505 /nfs/dbraw/zinc/37/25/05/919372505.db2.gz NMVFVLNXJZMSHJ-VIFPVBQESA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001406588181 919372522 /nfs/dbraw/zinc/37/25/22/919372522.db2.gz NMVFVLNXJZMSHJ-VIFPVBQESA-N 1 2 285.779 0.926 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001334190877 919413352 /nfs/dbraw/zinc/41/33/52/919413352.db2.gz QSPAGZKDWNOOEP-LLVKDONJSA-N 1 2 294.355 0.118 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001334377086 919533935 /nfs/dbraw/zinc/53/39/35/919533935.db2.gz DAUJKDCQBPWMKX-LLVKDONJSA-N 1 2 267.329 0.157 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001334377086 919533951 /nfs/dbraw/zinc/53/39/51/919533951.db2.gz DAUJKDCQBPWMKX-LLVKDONJSA-N 1 2 267.329 0.157 20 30 CCEDLO CCc1nnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCC2)o1 ZINC001407774494 919883100 /nfs/dbraw/zinc/88/31/00/919883100.db2.gz MKMKXQZIWIMVGZ-SNVBAGLBSA-N 1 2 291.355 0.920 20 30 CCEDLO C=CCCCN(CC)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001335190661 920007777 /nfs/dbraw/zinc/00/77/77/920007777.db2.gz CZCOMMRGMULMQO-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C[NH+](C)Cc1nc(CNS(=O)(=O)CC2(C#N)CC2)co1 ZINC001414359419 920291319 /nfs/dbraw/zinc/29/13/19/920291319.db2.gz VPTZYWOJNNXJEM-UHFFFAOYSA-N 1 2 298.368 0.459 20 30 CCEDLO C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001336081446 920598853 /nfs/dbraw/zinc/59/88/53/920598853.db2.gz XFUSQVOYJRXVSR-JOCQHMNTSA-N 1 2 288.351 0.308 20 30 CCEDLO CCN(CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)[C@H](C)C#N ZINC001415684775 920805328 /nfs/dbraw/zinc/80/53/28/920805328.db2.gz MSAKRTGLPRWSKL-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO CCN(CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)[C@H](C)C#N ZINC001415684775 920805336 /nfs/dbraw/zinc/80/53/36/920805336.db2.gz MSAKRTGLPRWSKL-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001416289705 920945845 /nfs/dbraw/zinc/94/58/45/920945845.db2.gz XJPPUQFDULCFNJ-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)NCc1ccco1 ZINC001336712873 920947539 /nfs/dbraw/zinc/94/75/39/920947539.db2.gz KKPKUJSBALRDTD-LLVKDONJSA-N 1 2 260.297 0.929 20 30 CCEDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C#CC(C)(C)C ZINC001336722424 920953772 /nfs/dbraw/zinc/95/37/72/920953772.db2.gz SVUSCBFAOHYERL-NSHDSACASA-N 1 2 266.341 0.399 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001339947092 921891303 /nfs/dbraw/zinc/89/13/03/921891303.db2.gz FAQQGAMGALOIMD-NWDGAFQWSA-N 1 2 277.372 0.731 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001339947092 921891313 /nfs/dbraw/zinc/89/13/13/921891313.db2.gz FAQQGAMGALOIMD-NWDGAFQWSA-N 1 2 277.372 0.731 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C(C)C)n2CC)CC1 ZINC001340231891 922017232 /nfs/dbraw/zinc/01/72/32/922017232.db2.gz XUQHKFUGJLGEMP-ZDUSSCGKSA-N 1 2 291.399 0.743 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001418449790 922127899 /nfs/dbraw/zinc/12/78/99/922127899.db2.gz BZQJHQYFWUXSLM-UHFFFAOYSA-N 1 2 270.764 0.763 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001418449790 922127909 /nfs/dbraw/zinc/12/79/09/922127909.db2.gz BZQJHQYFWUXSLM-UHFFFAOYSA-N 1 2 270.764 0.763 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3(OC)CC3)n2CC)CC1 ZINC001340683156 922166650 /nfs/dbraw/zinc/16/66/50/922166650.db2.gz OXFNYTUZOAKCAF-UHFFFAOYSA-N 1 2 289.383 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001418488183 922172940 /nfs/dbraw/zinc/17/29/40/922172940.db2.gz BWLZVTOYBGYKDQ-JTQLQIEISA-N 1 2 273.764 0.408 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001418488183 922172950 /nfs/dbraw/zinc/17/29/50/922172950.db2.gz BWLZVTOYBGYKDQ-JTQLQIEISA-N 1 2 273.764 0.408 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001341650221 922605392 /nfs/dbraw/zinc/60/53/92/922605392.db2.gz YMHNDQCDEMTFGT-LDYMZIIASA-N 1 2 255.281 0.404 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)CC)C1 ZINC001419105600 922635929 /nfs/dbraw/zinc/63/59/29/922635929.db2.gz NDHUXSONFODMBU-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)CC)C1 ZINC001419105600 922635937 /nfs/dbraw/zinc/63/59/37/922635937.db2.gz NDHUXSONFODMBU-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[NH+]2CCN(CCF)CC2)c1 ZINC001419103918 922638386 /nfs/dbraw/zinc/63/83/86/922638386.db2.gz SZAMLGJTKDHVMU-UHFFFAOYSA-N 1 2 293.346 0.203 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCCN2CC[NH+](CCF)CC2)c1 ZINC001419103918 922638393 /nfs/dbraw/zinc/63/83/93/922638393.db2.gz SZAMLGJTKDHVMU-UHFFFAOYSA-N 1 2 293.346 0.203 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001342563907 923005268 /nfs/dbraw/zinc/00/52/68/923005268.db2.gz YWMONEHYAQTTSG-BXUZGUMPSA-N 1 2 277.372 0.279 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001342563907 923005283 /nfs/dbraw/zinc/00/52/83/923005283.db2.gz YWMONEHYAQTTSG-BXUZGUMPSA-N 1 2 277.372 0.279 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3ccon3)CC2)c1 ZINC001420915736 924020212 /nfs/dbraw/zinc/02/02/12/924020212.db2.gz CABQJTCHPMIVTP-UHFFFAOYSA-N 1 2 285.307 0.927 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001421105900 924156023 /nfs/dbraw/zinc/15/60/23/924156023.db2.gz VDEISTMTDPAYNR-UHFFFAOYSA-N 1 2 292.383 0.207 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC001347618079 924495897 /nfs/dbraw/zinc/49/58/97/924495897.db2.gz RUGSTERRBGQEBN-UONOGXRCSA-N 1 2 280.416 0.579 20 30 CCEDLO C=CC[C@H]1CC[N@H+](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001351442994 925419720 /nfs/dbraw/zinc/41/97/20/925419720.db2.gz SGSKBQOMCODOMG-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001351442994 925419729 /nfs/dbraw/zinc/41/97/29/925419729.db2.gz SGSKBQOMCODOMG-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001413963401 926007521 /nfs/dbraw/zinc/00/75/21/926007521.db2.gz LIFIFGMAOQTUOK-KBPBESRZSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001413963401 926007529 /nfs/dbraw/zinc/00/75/29/926007529.db2.gz LIFIFGMAOQTUOK-KBPBESRZSA-N 1 2 287.319 0.728 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001355920727 926326290 /nfs/dbraw/zinc/32/62/90/926326290.db2.gz WQCGOUJGUKHRMQ-VXGBXAGGSA-N 1 2 277.372 0.824 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001355920727 926326301 /nfs/dbraw/zinc/32/63/01/926326301.db2.gz WQCGOUJGUKHRMQ-VXGBXAGGSA-N 1 2 277.372 0.824 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C ZINC001421304599 926666523 /nfs/dbraw/zinc/66/65/23/926666523.db2.gz HVCZYJGQIAVEJR-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C ZINC001421304599 926666531 /nfs/dbraw/zinc/66/65/31/926666531.db2.gz HVCZYJGQIAVEJR-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(N[C@H](CO)C[NH+]2CCOCC2)ncc1C#N ZINC001413889679 926927398 /nfs/dbraw/zinc/92/73/98/926927398.db2.gz BNVZROXBVGPIHU-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)[C@H](C)C#N)C1)OC ZINC001422606269 927402431 /nfs/dbraw/zinc/40/24/31/927402431.db2.gz QMZXQWHAVQADRC-NEPJUHHUSA-N 1 2 283.372 0.124 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ncc1C#N ZINC001362543586 928156950 /nfs/dbraw/zinc/15/69/50/928156950.db2.gz QJYRFGISLIFUFK-LBPRGKRZSA-N 1 2 288.351 0.400 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ncc1C#N ZINC001362543586 928156955 /nfs/dbraw/zinc/15/69/55/928156955.db2.gz QJYRFGISLIFUFK-LBPRGKRZSA-N 1 2 288.351 0.400 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001424768931 928288575 /nfs/dbraw/zinc/28/85/75/928288575.db2.gz BVSZADTUBQMPQI-SRVKXCTJSA-N 1 2 289.339 0.054 20 30 CCEDLO N#Cc1ccc(F)c(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001362796354 928502541 /nfs/dbraw/zinc/50/25/41/928502541.db2.gz RVIHGUARFDNEAQ-NSHDSACASA-N 1 2 288.282 0.754 20 30 CCEDLO N#Cc1ccc(F)c(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001362796354 928502549 /nfs/dbraw/zinc/50/25/49/928502549.db2.gz RVIHGUARFDNEAQ-NSHDSACASA-N 1 2 288.282 0.754 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001429113515 929380979 /nfs/dbraw/zinc/38/09/79/929380979.db2.gz KZEMAEREKKPEIH-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001373017007 930043507 /nfs/dbraw/zinc/04/35/07/930043507.db2.gz DUVCLDNMIKSIER-MNOVXSKESA-N 1 2 291.355 0.133 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001373587045 930257058 /nfs/dbraw/zinc/25/70/58/930257058.db2.gz ITCJDZGGBSMFAW-VIFPVBQESA-N 1 2 275.736 0.285 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001373587045 930257066 /nfs/dbraw/zinc/25/70/66/930257066.db2.gz ITCJDZGGBSMFAW-VIFPVBQESA-N 1 2 275.736 0.285 20 30 CCEDLO CCCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H](C)C#N ZINC001374161713 930440073 /nfs/dbraw/zinc/44/00/73/930440073.db2.gz IJKDAJRGGAIGQY-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@]2(CO)CCC[N@H+](CCF)C2)c[nH]1 ZINC001447015550 930543727 /nfs/dbraw/zinc/54/37/27/930543727.db2.gz NHIPPXMSAKECML-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCF)C2)c[nH]1 ZINC001447015550 930543732 /nfs/dbraw/zinc/54/37/32/930543732.db2.gz NHIPPXMSAKECML-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO CCOc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)s1 ZINC001374736398 930637846 /nfs/dbraw/zinc/63/78/46/930637846.db2.gz CITCAALETIBLDO-DTWKUNHWSA-N 1 2 297.384 0.691 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001447549252 930658551 /nfs/dbraw/zinc/65/85/51/930658551.db2.gz GBJAFWFRUWREQD-JLLWLGSASA-N 1 2 289.339 0.265 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001447549252 930658560 /nfs/dbraw/zinc/65/85/60/930658560.db2.gz GBJAFWFRUWREQD-JLLWLGSASA-N 1 2 289.339 0.265 20 30 CCEDLO CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@H](C)C#N ZINC001375119247 930798516 /nfs/dbraw/zinc/79/85/16/930798516.db2.gz FBBZLGKSRHODFH-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@H](C)C#N ZINC001375119247 930798525 /nfs/dbraw/zinc/79/85/25/930798525.db2.gz FBBZLGKSRHODFH-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001375823570 930985382 /nfs/dbraw/zinc/98/53/82/930985382.db2.gz KMNCAEJNSQPCKU-CYBMUJFWSA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001375823570 930985392 /nfs/dbraw/zinc/98/53/92/930985392.db2.gz KMNCAEJNSQPCKU-CYBMUJFWSA-N 1 2 297.790 0.989 20 30 CCEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1C#N ZINC000091071757 349448894 /nfs/dbraw/zinc/44/88/94/349448894.db2.gz WPOADEDGHWHGDI-IYBDPMFKSA-N 1 2 298.346 0.590 20 30 CCEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1C#N ZINC000091071757 349448898 /nfs/dbraw/zinc/44/88/98/349448898.db2.gz WPOADEDGHWHGDI-IYBDPMFKSA-N 1 2 298.346 0.590 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)nn1 ZINC000599559122 361738428 /nfs/dbraw/zinc/73/84/28/361738428.db2.gz RXXZLQVBSSAKHH-AWEZNQCLSA-N 1 2 294.355 0.618 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)nn1 ZINC000599559122 361738429 /nfs/dbraw/zinc/73/84/29/361738429.db2.gz RXXZLQVBSSAKHH-AWEZNQCLSA-N 1 2 294.355 0.618 20 30 CCEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000125112011 187170336 /nfs/dbraw/zinc/17/03/36/187170336.db2.gz XICYNOHJEVBQHL-UHFFFAOYSA-N 1 2 283.353 0.619 20 30 CCEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000125112011 187170337 /nfs/dbraw/zinc/17/03/37/187170337.db2.gz XICYNOHJEVBQHL-UHFFFAOYSA-N 1 2 283.353 0.619 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](CC(N)=O)C3)n2c1 ZINC000600207302 361889231 /nfs/dbraw/zinc/88/92/31/361889231.db2.gz BIONJBQVKWQQMM-ZDUSSCGKSA-N 1 2 299.334 0.282 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000600421892 361957084 /nfs/dbraw/zinc/95/70/84/361957084.db2.gz PXWDNTOMPYLGDN-GFCCVEGCSA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000600421892 361957089 /nfs/dbraw/zinc/95/70/89/361957089.db2.gz PXWDNTOMPYLGDN-GFCCVEGCSA-N 1 2 277.299 0.758 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[NH+](CC)CC ZINC000273136475 192054097 /nfs/dbraw/zinc/05/40/97/192054097.db2.gz VXKMGAXDYHPZNK-UHFFFAOYSA-N 1 2 262.375 0.045 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000103147195 349691107 /nfs/dbraw/zinc/69/11/07/349691107.db2.gz ZJMFFPROJDWQHL-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000103147195 349691109 /nfs/dbraw/zinc/69/11/09/349691109.db2.gz ZJMFFPROJDWQHL-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000600997586 362122790 /nfs/dbraw/zinc/12/27/90/362122790.db2.gz IENCXXNHRDYREC-LBPRGKRZSA-N 1 2 277.368 0.907 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601316073 362215977 /nfs/dbraw/zinc/21/59/77/362215977.db2.gz SIOIYHUHKFWTER-VXGBXAGGSA-N 1 2 289.401 0.128 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601316073 362215979 /nfs/dbraw/zinc/21/59/79/362215979.db2.gz SIOIYHUHKFWTER-VXGBXAGGSA-N 1 2 289.401 0.128 20 30 CCEDLO C=CCSCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601321160 362218426 /nfs/dbraw/zinc/21/84/26/362218426.db2.gz IRUYOIXLOIFYHB-NSHDSACASA-N 1 2 294.442 0.156 20 30 CCEDLO C=CCSCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601321160 362218428 /nfs/dbraw/zinc/21/84/28/362218428.db2.gz IRUYOIXLOIFYHB-NSHDSACASA-N 1 2 294.442 0.156 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000126859575 187267004 /nfs/dbraw/zinc/26/70/04/187267004.db2.gz VBPKMSRHQBMSQS-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC000330314486 529786369 /nfs/dbraw/zinc/78/63/69/529786369.db2.gz XYJCMYHZSXGFMS-YNEHKIRRSA-N 1 2 283.372 0.137 20 30 CCEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC000330314486 529786370 /nfs/dbraw/zinc/78/63/70/529786370.db2.gz XYJCMYHZSXGFMS-YNEHKIRRSA-N 1 2 283.372 0.137 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000329088937 529788102 /nfs/dbraw/zinc/78/81/02/529788102.db2.gz IFQHPMKQLCNHHJ-CYBMUJFWSA-N 1 2 297.399 0.528 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000329088937 529788103 /nfs/dbraw/zinc/78/81/03/529788103.db2.gz IFQHPMKQLCNHHJ-CYBMUJFWSA-N 1 2 297.399 0.528 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000116889054 349876063 /nfs/dbraw/zinc/87/60/63/349876063.db2.gz CCIWMJJGAGJMFU-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000116889054 349876065 /nfs/dbraw/zinc/87/60/65/349876065.db2.gz CCIWMJJGAGJMFU-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)CCC1 ZINC000601978203 362447093 /nfs/dbraw/zinc/44/70/93/362447093.db2.gz VSUPPGWSQLRFGX-JTQLQIEISA-N 1 2 287.310 0.905 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)CCC1 ZINC000601978203 362447096 /nfs/dbraw/zinc/44/70/96/362447096.db2.gz VSUPPGWSQLRFGX-JTQLQIEISA-N 1 2 287.310 0.905 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602029815 362463771 /nfs/dbraw/zinc/46/37/71/362463771.db2.gz YQAKDTYTJRXKBO-CHWSQXEVSA-N 1 2 298.339 0.599 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602132721 362511874 /nfs/dbraw/zinc/51/18/74/362511874.db2.gz LBQHTUPXQRKUPZ-IVZWLZJFSA-N 1 2 262.338 0.981 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602132721 362511880 /nfs/dbraw/zinc/51/18/80/362511880.db2.gz LBQHTUPXQRKUPZ-IVZWLZJFSA-N 1 2 262.338 0.981 20 30 CCEDLO C=CCOC[C@@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(=O)OC ZINC000602144802 362523094 /nfs/dbraw/zinc/52/30/94/362523094.db2.gz ZPQJPUWFVZBSEF-LLVKDONJSA-N 1 2 295.339 0.375 20 30 CCEDLO N#CCCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000602205847 362557894 /nfs/dbraw/zinc/55/78/94/362557894.db2.gz IJMCYQMQUJPCAI-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO N#CCCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000602205847 362557900 /nfs/dbraw/zinc/55/79/00/362557900.db2.gz IJMCYQMQUJPCAI-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO Cn1cc(C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)cn1 ZINC000361548080 232150118 /nfs/dbraw/zinc/15/01/18/232150118.db2.gz IISLWOKISPWWPP-UHFFFAOYSA-N 1 2 298.394 0.948 20 30 CCEDLO Cn1cc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cn1 ZINC000361548080 232150124 /nfs/dbraw/zinc/15/01/24/232150124.db2.gz IISLWOKISPWWPP-UHFFFAOYSA-N 1 2 298.394 0.948 20 30 CCEDLO CN1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000119292585 349928238 /nfs/dbraw/zinc/92/82/38/349928238.db2.gz GTBMHPLOLOSORD-UHFFFAOYSA-N 1 2 292.364 0.722 20 30 CCEDLO CN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000119292585 349928246 /nfs/dbraw/zinc/92/82/46/349928246.db2.gz GTBMHPLOLOSORD-UHFFFAOYSA-N 1 2 292.364 0.722 20 30 CCEDLO Cn1cc(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000602333721 362589883 /nfs/dbraw/zinc/58/98/83/362589883.db2.gz OVAYRUBITWSBTB-LLVKDONJSA-N 1 2 269.736 0.647 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)[C@H](C)O1 ZINC000602336773 362589969 /nfs/dbraw/zinc/58/99/69/362589969.db2.gz ZYBJLNSXZHQZQI-MPPDQPJWSA-N 1 2 253.346 0.760 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)n1 ZINC000602447528 362623592 /nfs/dbraw/zinc/62/35/92/362623592.db2.gz JQABMXIBEQGICG-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)n1 ZINC000602447528 362623596 /nfs/dbraw/zinc/62/35/96/362623596.db2.gz JQABMXIBEQGICG-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000602487166 362639800 /nfs/dbraw/zinc/63/98/00/362639800.db2.gz VGIGHFGFFBOOJL-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)n1 ZINC000602487166 362639806 /nfs/dbraw/zinc/63/98/06/362639806.db2.gz VGIGHFGFFBOOJL-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH2+]CC1=O ZINC000602605666 362710554 /nfs/dbraw/zinc/71/05/54/362710554.db2.gz ZJNVCKNFTILMSM-JTQLQIEISA-N 1 2 272.308 0.317 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000602694403 362753682 /nfs/dbraw/zinc/75/36/82/362753682.db2.gz REYJCCQMHSTQSP-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000602694403 362753684 /nfs/dbraw/zinc/75/36/84/362753684.db2.gz REYJCCQMHSTQSP-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)on1 ZINC000602695226 362754860 /nfs/dbraw/zinc/75/48/60/362754860.db2.gz FUBDRELFRWHVMH-LBPRGKRZSA-N 1 2 265.269 0.312 20 30 CCEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)on1 ZINC000602695226 362754863 /nfs/dbraw/zinc/75/48/63/362754863.db2.gz FUBDRELFRWHVMH-LBPRGKRZSA-N 1 2 265.269 0.312 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000617953662 365856366 /nfs/dbraw/zinc/85/63/66/365856366.db2.gz CBCYVEIECDSXDV-ZDUSSCGKSA-N 1 2 296.346 0.498 20 30 CCEDLO CCN(C#N)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602787119 362799924 /nfs/dbraw/zinc/79/99/24/362799924.db2.gz IICJKNJZFIGHLB-CYBMUJFWSA-N 1 2 299.382 0.662 20 30 CCEDLO CCN(C#N)CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602787119 362799930 /nfs/dbraw/zinc/79/99/30/362799930.db2.gz IICJKNJZFIGHLB-CYBMUJFWSA-N 1 2 299.382 0.662 20 30 CCEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602852331 362838928 /nfs/dbraw/zinc/83/89/28/362838928.db2.gz PPBMEDYISNQPQL-NSHDSACASA-N 1 2 293.289 0.748 20 30 CCEDLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000602852331 362838932 /nfs/dbraw/zinc/83/89/32/362838932.db2.gz PPBMEDYISNQPQL-NSHDSACASA-N 1 2 293.289 0.748 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000602862976 362846478 /nfs/dbraw/zinc/84/64/78/362846478.db2.gz LMWWSOGHIGGFLM-RYUDHWBXSA-N 1 2 289.335 0.834 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864025 362848905 /nfs/dbraw/zinc/84/89/05/362848905.db2.gz PKLYMJLSQUEXQY-BETUJISGSA-N 1 2 266.389 0.677 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864025 362848908 /nfs/dbraw/zinc/84/89/08/362848908.db2.gz PKLYMJLSQUEXQY-BETUJISGSA-N 1 2 266.389 0.677 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)o1)[NH+]1CCOCC1 ZINC000339983615 137083461 /nfs/dbraw/zinc/08/34/61/137083461.db2.gz DJFXKHJZZAYNHA-WDEREUQCSA-N 1 2 277.324 0.990 20 30 CCEDLO Cc1nc(C(=O)NCc2[nH+]ccn2C)ccc1C#N ZINC000343283683 137124203 /nfs/dbraw/zinc/12/42/03/137124203.db2.gz DLXOVYYJGAECPA-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000019846918 348072024 /nfs/dbraw/zinc/07/20/24/348072024.db2.gz MFHDWJJMHYQZJN-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)C2)cc1 ZINC000019846918 348072025 /nfs/dbraw/zinc/07/20/25/348072025.db2.gz MFHDWJJMHYQZJN-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO CCNC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000029670276 348113749 /nfs/dbraw/zinc/11/37/49/348113749.db2.gz XSEJZHJRGZTCEN-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000023253761 348084925 /nfs/dbraw/zinc/08/49/25/348084925.db2.gz NCQXIELMDWMKNR-UHFFFAOYSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1c(F)cccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000037854490 348214165 /nfs/dbraw/zinc/21/41/65/348214165.db2.gz HCZKKVYVDYAQJT-LLVKDONJSA-N 1 2 279.315 0.802 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000602871684 362852407 /nfs/dbraw/zinc/85/24/07/362852407.db2.gz UIKXXMPNBXGVHR-QWRGUYRKSA-N 1 2 281.356 0.821 20 30 CCEDLO N#Cc1csc(C[NH+]2[C@H](CO)CC[C@H]2CO)n1 ZINC000602881464 362861911 /nfs/dbraw/zinc/86/19/11/362861911.db2.gz QPGSADZHBCECTQ-UWVGGRQHSA-N 1 2 253.327 0.332 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977960 362918005 /nfs/dbraw/zinc/91/80/05/362918005.db2.gz JDYMDKJTRACGGD-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977960 362918010 /nfs/dbraw/zinc/91/80/10/362918010.db2.gz JDYMDKJTRACGGD-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO Cn1c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc(=O)n(C)c1=O ZINC000602976439 362918316 /nfs/dbraw/zinc/91/83/16/362918316.db2.gz POZIXJUEJMIQQB-ZYHUDNBSSA-N 1 2 276.340 0.208 20 30 CCEDLO Cn1c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc(=O)n(C)c1=O ZINC000602976439 362918320 /nfs/dbraw/zinc/91/83/20/362918320.db2.gz POZIXJUEJMIQQB-ZYHUDNBSSA-N 1 2 276.340 0.208 20 30 CCEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O)C1(C#N)CCCCC1 ZINC000061759265 348659344 /nfs/dbraw/zinc/65/93/44/348659344.db2.gz WPPDHVGNOIGEMR-GFCCVEGCSA-N 1 2 292.383 0.621 20 30 CCEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1C(N)=O)C1(C#N)CCCCC1 ZINC000061759265 348659347 /nfs/dbraw/zinc/65/93/47/348659347.db2.gz WPPDHVGNOIGEMR-GFCCVEGCSA-N 1 2 292.383 0.621 20 30 CCEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C#N)CC1 ZINC000057876894 348618071 /nfs/dbraw/zinc/61/80/71/348618071.db2.gz MZIYMBSANQJJPX-LLVKDONJSA-N 1 2 292.383 0.347 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000066316310 348739286 /nfs/dbraw/zinc/73/92/86/348739286.db2.gz UUILKZNIEWZFRA-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063512829 348687932 /nfs/dbraw/zinc/68/79/32/348687932.db2.gz UTJOPLHWEAWTFW-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063512829 348687935 /nfs/dbraw/zinc/68/79/35/348687935.db2.gz UTJOPLHWEAWTFW-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@@H+](CC(=O)NCCC(=O)OC)C[C@H](C)C#N ZINC000066424309 348742766 /nfs/dbraw/zinc/74/27/66/348742766.db2.gz KWZMXCYPHYFIAK-SNVBAGLBSA-N 1 2 255.318 0.147 20 30 CCEDLO CC[N@H+](CC(=O)NCCC(=O)OC)C[C@H](C)C#N ZINC000066424309 348742769 /nfs/dbraw/zinc/74/27/69/348742769.db2.gz KWZMXCYPHYFIAK-SNVBAGLBSA-N 1 2 255.318 0.147 20 30 CCEDLO CC[N@@H+](CC(=O)NCCC(=O)OC)C[C@@H](C)C#N ZINC000066424307 348743266 /nfs/dbraw/zinc/74/32/66/348743266.db2.gz KWZMXCYPHYFIAK-JTQLQIEISA-N 1 2 255.318 0.147 20 30 CCEDLO CC[N@H+](CC(=O)NCCC(=O)OC)C[C@@H](C)C#N ZINC000066424307 348743269 /nfs/dbraw/zinc/74/32/69/348743269.db2.gz KWZMXCYPHYFIAK-JTQLQIEISA-N 1 2 255.318 0.147 20 30 CCEDLO C#CC[N@@H+](CCCSC)[C@H]1CCS(=O)(=O)C1 ZINC000072609618 348925247 /nfs/dbraw/zinc/92/52/47/348925247.db2.gz ZKUIYLQTNGZISY-NSHDSACASA-N 1 2 261.412 0.862 20 30 CCEDLO C#CC[N@H+](CCCSC)[C@H]1CCS(=O)(=O)C1 ZINC000072609618 348925249 /nfs/dbraw/zinc/92/52/49/348925249.db2.gz ZKUIYLQTNGZISY-NSHDSACASA-N 1 2 261.412 0.862 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCS(=O)(=O)N(C)C ZINC000072690206 348928534 /nfs/dbraw/zinc/92/85/34/348928534.db2.gz IKIFRZMJIQLHNW-UHFFFAOYSA-N 1 2 277.390 0.130 20 30 CCEDLO COCC[N@H+](CCC#N)CCCS(=O)(=O)N(C)C ZINC000072690206 348928537 /nfs/dbraw/zinc/92/85/37/348928537.db2.gz IKIFRZMJIQLHNW-UHFFFAOYSA-N 1 2 277.390 0.130 20 30 CCEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCOCC1 ZINC000072690151 348928636 /nfs/dbraw/zinc/92/86/36/348928636.db2.gz MGUYARUKGZEWMG-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCOCC1 ZINC000072690151 348928641 /nfs/dbraw/zinc/92/86/41/348928641.db2.gz MGUYARUKGZEWMG-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO C#CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076049418 349065570 /nfs/dbraw/zinc/06/55/70/349065570.db2.gz OCJHICJLIUBJJO-UHFFFAOYSA-N 1 2 260.219 0.878 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973296 349236546 /nfs/dbraw/zinc/23/65/46/349236546.db2.gz LFQHGCCGQDUMAW-NSHDSACASA-N 1 2 291.355 0.601 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081049767 349244396 /nfs/dbraw/zinc/24/43/96/349244396.db2.gz GJFTXZKQOWZETD-VIFPVBQESA-N 1 2 252.236 0.288 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081049767 349244397 /nfs/dbraw/zinc/24/43/97/349244397.db2.gz GJFTXZKQOWZETD-VIFPVBQESA-N 1 2 252.236 0.288 20 30 CCEDLO Cc1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000081158069 349248025 /nfs/dbraw/zinc/24/80/25/349248025.db2.gz LMAIFQHZIMYSFW-UHFFFAOYSA-N 1 2 279.344 0.426 20 30 CCEDLO N#Cc1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000090698796 180026978 /nfs/dbraw/zinc/02/69/78/180026978.db2.gz PCYACNNVZBHEKM-AWEZNQCLSA-N 1 2 270.336 0.288 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091752908 180245961 /nfs/dbraw/zinc/24/59/61/180245961.db2.gz IHXRLOVRJVUAOE-ZDUSSCGKSA-N 1 2 256.309 0.768 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091752908 180245963 /nfs/dbraw/zinc/24/59/63/180245963.db2.gz IHXRLOVRJVUAOE-ZDUSSCGKSA-N 1 2 256.309 0.768 20 30 CCEDLO Cn1cc(C#N)c(=O)n(Cc2[nH+]ccn2C(F)F)c1=O ZINC000134706396 350373685 /nfs/dbraw/zinc/37/36/85/350373685.db2.gz HVMMYDRWGTYLAG-UHFFFAOYSA-N 1 2 281.222 0.059 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157447501 350645540 /nfs/dbraw/zinc/64/55/40/350645540.db2.gz DBUAVZIBAJFFDF-ZDUSSCGKSA-N 1 2 296.415 0.699 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157447501 350645543 /nfs/dbraw/zinc/64/55/43/350645543.db2.gz DBUAVZIBAJFFDF-ZDUSSCGKSA-N 1 2 296.415 0.699 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)s1 ZINC000162352265 350741889 /nfs/dbraw/zinc/74/18/89/350741889.db2.gz FMQDEGRDMPHBGB-UHFFFAOYSA-N 1 2 279.365 0.910 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)s1 ZINC000162352265 350741892 /nfs/dbraw/zinc/74/18/92/350741892.db2.gz FMQDEGRDMPHBGB-UHFFFAOYSA-N 1 2 279.365 0.910 20 30 CCEDLO N#Cc1ccnc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000167477985 350810504 /nfs/dbraw/zinc/81/05/04/350810504.db2.gz TTWVJSABGCBQPN-UHFFFAOYSA-N 1 2 277.284 0.606 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(OC)c1 ZINC000174528766 351090505 /nfs/dbraw/zinc/09/05/05/351090505.db2.gz YKHSWCMXECMVKD-UHFFFAOYSA-N 1 2 270.332 0.880 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603233737 363014893 /nfs/dbraw/zinc/01/48/93/363014893.db2.gz KGXSPQXYLXBVOW-ZDUSSCGKSA-N 1 2 294.355 0.789 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2oncc2C(=O)OC)nn1 ZINC000603257941 363027640 /nfs/dbraw/zinc/02/76/40/363027640.db2.gz LDYFIFDZQRGSRQ-UHFFFAOYSA-N 1 2 289.295 0.214 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000187666900 351550328 /nfs/dbraw/zinc/55/03/28/351550328.db2.gz YHVKGHDWBPZRQF-GWCFXTLKSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000187666900 351550334 /nfs/dbraw/zinc/55/03/34/351550334.db2.gz YHVKGHDWBPZRQF-GWCFXTLKSA-N 1 2 259.309 0.805 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ccc(C#N)c(C)n2)CC1 ZINC000291674030 198059073 /nfs/dbraw/zinc/05/90/73/198059073.db2.gz QLKSERJSNVPICO-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000122166267 187018908 /nfs/dbraw/zinc/01/89/08/187018908.db2.gz YYXOSQPAMBPGRB-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000122166267 187018909 /nfs/dbraw/zinc/01/89/09/187018909.db2.gz YYXOSQPAMBPGRB-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C(N)=O)O1 ZINC000122909027 187058660 /nfs/dbraw/zinc/05/86/60/187058660.db2.gz HACJEUGOXLKTKF-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C(N)=O)O1 ZINC000122909027 187058661 /nfs/dbraw/zinc/05/86/61/187058661.db2.gz HACJEUGOXLKTKF-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)n(C)c1C ZINC000225420570 352004708 /nfs/dbraw/zinc/00/47/08/352004708.db2.gz HYTNTFLQAYMSDX-UHFFFAOYSA-N 1 2 290.367 0.761 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC000264932932 352608172 /nfs/dbraw/zinc/60/81/72/352608172.db2.gz SUSKPOROUFYTOC-CQSZACIVSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC000264932932 352608174 /nfs/dbraw/zinc/60/81/74/352608174.db2.gz SUSKPOROUFYTOC-CQSZACIVSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265640469 352652489 /nfs/dbraw/zinc/65/24/89/352652489.db2.gz JOGUXDLJOYFGPH-OLZOCXBDSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265640469 352652493 /nfs/dbraw/zinc/65/24/93/352652493.db2.gz JOGUXDLJOYFGPH-OLZOCXBDSA-N 1 2 279.384 0.738 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267351906 352761675 /nfs/dbraw/zinc/76/16/75/352761675.db2.gz GQVASVGTBFWIQX-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)n1 ZINC000267522322 352771790 /nfs/dbraw/zinc/77/17/90/352771790.db2.gz GTWBMTGMKCSGPG-ZDUSSCGKSA-N 1 2 276.340 0.083 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)c2cnn(CC)c2)CC1 ZINC000270350172 352924075 /nfs/dbraw/zinc/92/40/75/352924075.db2.gz OCTYRBGSTGIWCJ-UHFFFAOYSA-N 1 2 288.351 0.253 20 30 CCEDLO C=CCCOCCNC(=O)NCc1[nH+]ccn1C ZINC000270419992 352931678 /nfs/dbraw/zinc/93/16/78/352931678.db2.gz MXEMMTZUYHTVCL-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2N)CC1 ZINC000274309637 353118775 /nfs/dbraw/zinc/11/87/75/353118775.db2.gz DIZCJONSBZQCDC-UHFFFAOYSA-N 1 2 293.392 0.598 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295163328 199380628 /nfs/dbraw/zinc/38/06/28/199380628.db2.gz DKIFNPVDJCDPMF-STQMWFEESA-N 1 2 273.336 0.815 20 30 CCEDLO Cc1cc(C#N)nc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000281104750 353389690 /nfs/dbraw/zinc/38/96/90/353389690.db2.gz FQTFZSTZHSDYPR-AWEZNQCLSA-N 1 2 287.367 0.958 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)C(N)=O ZINC000282114593 353394210 /nfs/dbraw/zinc/39/42/10/353394210.db2.gz AJRNDZCOWXGBEW-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)C(N)=O ZINC000282114593 353394212 /nfs/dbraw/zinc/39/42/12/353394212.db2.gz AJRNDZCOWXGBEW-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295463865 353896478 /nfs/dbraw/zinc/89/64/78/353896478.db2.gz FTAXZCYQCIKLDH-CYBMUJFWSA-N 1 2 275.308 0.190 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295463865 353896482 /nfs/dbraw/zinc/89/64/82/353896482.db2.gz FTAXZCYQCIKLDH-CYBMUJFWSA-N 1 2 275.308 0.190 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295544132 353902360 /nfs/dbraw/zinc/90/23/60/353902360.db2.gz JWDOZTFGSIPOQO-FZMZJTMJSA-N 1 2 289.335 0.578 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295544132 353902362 /nfs/dbraw/zinc/90/23/62/353902362.db2.gz JWDOZTFGSIPOQO-FZMZJTMJSA-N 1 2 289.335 0.578 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302728131 354086024 /nfs/dbraw/zinc/08/60/24/354086024.db2.gz UBLDNVFPLUZXAI-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000308197277 354183422 /nfs/dbraw/zinc/18/34/22/354183422.db2.gz UFMBBFKFVNBVHF-LLVKDONJSA-N 1 2 261.329 0.653 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000308197277 354183426 /nfs/dbraw/zinc/18/34/26/354183426.db2.gz UFMBBFKFVNBVHF-LLVKDONJSA-N 1 2 261.329 0.653 20 30 CCEDLO N#CCCCS(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000328608495 354236027 /nfs/dbraw/zinc/23/60/27/354236027.db2.gz QFDFBWWEHVUNHB-UHFFFAOYSA-N 1 2 282.369 0.943 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cncnc3)C[C@H]21 ZINC000329853215 283013486 /nfs/dbraw/zinc/01/34/86/283013486.db2.gz VHKKDZAGMWFKQS-GHMZBOCLSA-N 1 2 263.301 0.037 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cncnc3)C[C@H]21 ZINC000329853215 283013487 /nfs/dbraw/zinc/01/34/87/283013487.db2.gz VHKKDZAGMWFKQS-GHMZBOCLSA-N 1 2 263.301 0.037 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000557833780 291045272 /nfs/dbraw/zinc/04/52/72/291045272.db2.gz JABCCZNGBBZYJG-UHFFFAOYSA-N 1 2 278.293 0.593 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334460382 283084378 /nfs/dbraw/zinc/08/43/78/283084378.db2.gz NBGOULNHOTWJRJ-SECBINFHSA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334460382 283084380 /nfs/dbraw/zinc/08/43/80/283084380.db2.gz NBGOULNHOTWJRJ-SECBINFHSA-N 1 2 255.281 0.897 20 30 CCEDLO C#CCCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000271831296 191353172 /nfs/dbraw/zinc/35/31/72/191353172.db2.gz JJGGLWCEAYXEHE-UHFFFAOYSA-N 1 2 265.357 0.118 20 30 CCEDLO C#CCCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000271831296 191353174 /nfs/dbraw/zinc/35/31/74/191353174.db2.gz JJGGLWCEAYXEHE-UHFFFAOYSA-N 1 2 265.357 0.118 20 30 CCEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000341416533 355667953 /nfs/dbraw/zinc/66/79/53/355667953.db2.gz BYAJXUCRARGVSC-SECBINFHSA-N 1 2 270.296 0.729 20 30 CCEDLO N#Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)c1Cl ZINC000342780583 355745529 /nfs/dbraw/zinc/74/55/29/355745529.db2.gz MDARAVGAVAGWFU-NSHDSACASA-N 1 2 277.759 0.440 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)cn1C ZINC000345405222 355817453 /nfs/dbraw/zinc/81/74/53/355817453.db2.gz OKXVKATXJZSXQA-GFCCVEGCSA-N 1 2 290.367 0.689 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000348226862 355891935 /nfs/dbraw/zinc/89/19/35/355891935.db2.gz FNKAUMWHWCWKQV-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000348226862 355891939 /nfs/dbraw/zinc/89/19/39/355891939.db2.gz FNKAUMWHWCWKQV-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO CN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000352670781 356048549 /nfs/dbraw/zinc/04/85/49/356048549.db2.gz GINBGNYLPMNWEW-ZDUSSCGKSA-N 1 2 286.335 0.659 20 30 CCEDLO CN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000352670781 356048551 /nfs/dbraw/zinc/04/85/51/356048551.db2.gz GINBGNYLPMNWEW-ZDUSSCGKSA-N 1 2 286.335 0.659 20 30 CCEDLO N#Cc1cnccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609786226 363517817 /nfs/dbraw/zinc/51/78/17/363517817.db2.gz ROLVLTBVTFVCEG-UHFFFAOYSA-N 1 2 255.281 0.991 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000610342826 363551763 /nfs/dbraw/zinc/55/17/63/363551763.db2.gz OPURPBAYMZCMEG-WDEREUQCSA-N 1 2 261.329 0.807 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000610342040 363551879 /nfs/dbraw/zinc/55/18/79/363551879.db2.gz KGTMMEARGCHITL-JQWIXIFHSA-N 1 2 261.329 0.807 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000619720089 366341080 /nfs/dbraw/zinc/34/10/80/366341080.db2.gz ZUEWIXCIKDMTFT-NWDGAFQWSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000619720089 366341087 /nfs/dbraw/zinc/34/10/87/366341087.db2.gz ZUEWIXCIKDMTFT-NWDGAFQWSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000619716667 366333810 /nfs/dbraw/zinc/33/38/10/366333810.db2.gz SVPBEPPKDFFYEX-CYBMUJFWSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000619716317 366334638 /nfs/dbraw/zinc/33/46/38/366334638.db2.gz JBMJSXGCVLTWEK-STQMWFEESA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000619716317 366334642 /nfs/dbraw/zinc/33/46/42/366334642.db2.gz JBMJSXGCVLTWEK-STQMWFEESA-N 1 2 280.368 0.952 20 30 CCEDLO CO[C@H]1C[NH+](Cc2nc(C#N)cs2)C[C@@H]1OC ZINC000356401044 356760821 /nfs/dbraw/zinc/76/08/21/356760821.db2.gz GVSZNGHFIZSLCE-UWVGGRQHSA-N 1 2 253.327 0.860 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)s1 ZINC000377034673 357529919 /nfs/dbraw/zinc/52/99/19/357529919.db2.gz ZVVCJPIPUYQNMQ-LLVKDONJSA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)s1 ZINC000377034673 357529924 /nfs/dbraw/zinc/52/99/24/357529924.db2.gz ZVVCJPIPUYQNMQ-LLVKDONJSA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000377087668 357536307 /nfs/dbraw/zinc/53/63/07/357536307.db2.gz APJKBXNLTPFBRA-SNVBAGLBSA-N 1 2 296.334 0.978 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377688 358061918 /nfs/dbraw/zinc/06/19/18/358061918.db2.gz YTJQIYLKHYGBGC-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377688 358061919 /nfs/dbraw/zinc/06/19/19/358061919.db2.gz YTJQIYLKHYGBGC-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])[nH]c1C#N ZINC000571044905 358906903 /nfs/dbraw/zinc/90/69/03/358906903.db2.gz LAYXCXRUBPCZKM-RKDXNWHRSA-N 1 2 272.312 0.999 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578416988 359049039 /nfs/dbraw/zinc/04/90/39/359049039.db2.gz KDCNKSGFKFJWAE-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000578416988 359049044 /nfs/dbraw/zinc/04/90/44/359049044.db2.gz KDCNKSGFKFJWAE-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO C=CCn1cc(C[NH2+]C[C@H](O)C(F)(F)F)nn1 ZINC000579948005 359064849 /nfs/dbraw/zinc/06/48/49/359064849.db2.gz MYEDOGOIASUZKQ-QMMMGPOBSA-N 1 2 250.224 0.477 20 30 CCEDLO Cc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C#N)c[nH+]1 ZINC000584835587 359214711 /nfs/dbraw/zinc/21/47/11/359214711.db2.gz PKYUUEHZUFYLFE-NEPJUHHUSA-N 1 2 271.324 0.864 20 30 CCEDLO Cc1cc(C#N)cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000585706952 359266349 /nfs/dbraw/zinc/26/63/49/359266349.db2.gz HQVIVTDWOLFZSG-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO CC[C@H](C(=O)N1CC(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000590485329 359474007 /nfs/dbraw/zinc/47/40/07/359474007.db2.gz ZAGJHONDFMHROY-CHWSQXEVSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@H](C(=O)N1CC(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000590485329 359474009 /nfs/dbraw/zinc/47/40/09/359474009.db2.gz ZAGJHONDFMHROY-CHWSQXEVSA-N 1 2 265.357 0.858 20 30 CCEDLO N#CCCN(CCC#N)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599737 359496204 /nfs/dbraw/zinc/49/62/04/359496204.db2.gz MQSZEALHKWOABK-UHFFFAOYSA-N 1 2 286.339 0.355 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000590579196 359488578 /nfs/dbraw/zinc/48/85/78/359488578.db2.gz RIBUNGYNJRURIY-MRVPVSSYSA-N 1 2 285.804 0.748 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000590579196 359488585 /nfs/dbraw/zinc/48/85/85/359488585.db2.gz RIBUNGYNJRURIY-MRVPVSSYSA-N 1 2 285.804 0.748 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000591896832 359683396 /nfs/dbraw/zinc/68/33/96/359683396.db2.gz UCHCZEGTYRUVGR-HNNXBMFYSA-N 1 2 299.334 0.894 20 30 CCEDLO CNc1nc(N2CC[C@@](O)(CC#N)C2)[nH+]c2ccccc21 ZINC000591975839 359717411 /nfs/dbraw/zinc/71/74/11/359717411.db2.gz URAXVYZKIKFMDE-HNNXBMFYSA-N 1 2 283.335 0.948 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000592209774 359797703 /nfs/dbraw/zinc/79/77/03/359797703.db2.gz TXAKMSNSTFBOJH-UTUOFQBUSA-N 1 2 265.313 0.286 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000592209774 359797708 /nfs/dbraw/zinc/79/77/08/359797708.db2.gz TXAKMSNSTFBOJH-UTUOFQBUSA-N 1 2 265.313 0.286 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000297572956 200231410 /nfs/dbraw/zinc/23/14/10/200231410.db2.gz RKJVYHDVVTYBRE-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000611190999 363677553 /nfs/dbraw/zinc/67/75/53/363677553.db2.gz DAFQZYJYVSIMED-QWHCGFSZSA-N 1 2 266.389 0.629 20 30 CCEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175956 363672722 /nfs/dbraw/zinc/67/27/22/363672722.db2.gz PJFLXQSPRCNCOY-CYBMUJFWSA-N 1 2 266.389 0.775 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592497925 359860128 /nfs/dbraw/zinc/86/01/28/359860128.db2.gz JEGWQWHXQPFNDW-LBPRGKRZSA-N 1 2 284.323 0.311 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592497925 359860132 /nfs/dbraw/zinc/86/01/32/359860132.db2.gz JEGWQWHXQPFNDW-LBPRGKRZSA-N 1 2 284.323 0.311 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)nn3)CC2)cn1 ZINC000611240663 363693323 /nfs/dbraw/zinc/69/33/23/363693323.db2.gz QAJUMISBMZPXSY-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO COCCOCC[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000593516771 360105343 /nfs/dbraw/zinc/10/53/43/360105343.db2.gz GTFRJSZMAZZWER-UHFFFAOYSA-N 1 2 291.355 0.133 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000593382907 360074253 /nfs/dbraw/zinc/07/42/53/360074253.db2.gz ADZUHSFGRRYRID-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000593739478 360145231 /nfs/dbraw/zinc/14/52/31/360145231.db2.gz FNIYVWDMQZVWBI-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](C(=O)OC)C2)nn1 ZINC000593945553 360221391 /nfs/dbraw/zinc/22/13/91/360221391.db2.gz ZCZVNYOOMYQJFC-LLVKDONJSA-N 1 2 264.329 0.849 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)nn1 ZINC000593945553 360221394 /nfs/dbraw/zinc/22/13/94/360221394.db2.gz ZCZVNYOOMYQJFC-LLVKDONJSA-N 1 2 264.329 0.849 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)nn1 ZINC000594015312 360235747 /nfs/dbraw/zinc/23/57/47/360235747.db2.gz IYHQUCXRXRWTGT-DGCLKSJQSA-N 1 2 294.355 0.210 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)nn1 ZINC000594015312 360235754 /nfs/dbraw/zinc/23/57/54/360235754.db2.gz IYHQUCXRXRWTGT-DGCLKSJQSA-N 1 2 294.355 0.210 20 30 CCEDLO Cc1ccc2[nH+]c(Cn3cc(CNCC#N)nn3)cn2c1 ZINC000594647267 360346761 /nfs/dbraw/zinc/34/67/61/360346761.db2.gz FFIJHOVLVKGBLD-UHFFFAOYSA-N 1 2 281.323 0.896 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)CC1(C#N)CC1 ZINC000611429957 363716840 /nfs/dbraw/zinc/71/68/40/363716840.db2.gz JVZNNGUMZMXQGT-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)CC1(C#N)CC1 ZINC000611429957 363716846 /nfs/dbraw/zinc/71/68/46/363716846.db2.gz JVZNNGUMZMXQGT-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1[nH+]ccn1C ZINC000595384568 360514646 /nfs/dbraw/zinc/51/46/46/360514646.db2.gz YBYIYUSOHGFBLK-UWVGGRQHSA-N 1 2 285.373 0.549 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COCCO1 ZINC000595743187 360636509 /nfs/dbraw/zinc/63/65/09/360636509.db2.gz QYUJYCLPOOWYTG-AWEZNQCLSA-N 1 2 289.335 0.844 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COCCO1 ZINC000595743187 360636514 /nfs/dbraw/zinc/63/65/14/360636514.db2.gz QYUJYCLPOOWYTG-AWEZNQCLSA-N 1 2 289.335 0.844 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833044 360671623 /nfs/dbraw/zinc/67/16/23/360671623.db2.gz FEVOYZIOSWRCMU-IUODEOHRSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833044 360671628 /nfs/dbraw/zinc/67/16/28/360671628.db2.gz FEVOYZIOSWRCMU-IUODEOHRSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835280 360673540 /nfs/dbraw/zinc/67/35/40/360673540.db2.gz QCZFKMWLQWIXQJ-YRGRVCCFSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835280 360673544 /nfs/dbraw/zinc/67/35/44/360673544.db2.gz QCZFKMWLQWIXQJ-YRGRVCCFSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCOCC1 ZINC000178710148 189139667 /nfs/dbraw/zinc/13/96/67/189139667.db2.gz KMFAJUWUFXKAAF-UHFFFAOYSA-N 1 2 290.338 0.968 20 30 CCEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCOCC1 ZINC000178710148 189139668 /nfs/dbraw/zinc/13/96/68/189139668.db2.gz KMFAJUWUFXKAAF-UHFFFAOYSA-N 1 2 290.338 0.968 20 30 CCEDLO N#Cc1csc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178729889 189141344 /nfs/dbraw/zinc/14/13/44/189141344.db2.gz AUBQMCLWXNQZHV-NSHDSACASA-N 1 2 276.365 0.349 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnn3C)CC2)on1 ZINC000596061525 360784621 /nfs/dbraw/zinc/78/46/21/360784621.db2.gz BDTPSTUIPHLMBY-UHFFFAOYSA-N 1 2 286.339 0.910 20 30 CCEDLO COc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1C#N ZINC000179189298 189176298 /nfs/dbraw/zinc/17/62/98/189176298.db2.gz REYXENHQAWDLBG-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO COc1ccc(CN2CC[NH+](CC(N)=O)CC2)cc1C#N ZINC000179189298 189176299 /nfs/dbraw/zinc/17/62/99/189176299.db2.gz REYXENHQAWDLBG-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000596586907 360924453 /nfs/dbraw/zinc/92/44/53/360924453.db2.gz GXNSKIQHSXLLIW-NEPJUHHUSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000596586907 360924454 /nfs/dbraw/zinc/92/44/54/360924454.db2.gz GXNSKIQHSXLLIW-NEPJUHHUSA-N 1 2 280.372 0.699 20 30 CCEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000596770608 360955730 /nfs/dbraw/zinc/95/57/30/360955730.db2.gz GRPSEFJTBUYQJZ-UHFFFAOYSA-N 1 2 295.289 0.587 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000597056807 361002037 /nfs/dbraw/zinc/00/20/37/361002037.db2.gz WGBDAYBOYYBZMB-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000597056807 361002044 /nfs/dbraw/zinc/00/20/44/361002044.db2.gz WGBDAYBOYYBZMB-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)CC#N ZINC000597167817 361021991 /nfs/dbraw/zinc/02/19/91/361021991.db2.gz ZRPYXEKWUNVECX-RYUDHWBXSA-N 1 2 252.362 0.288 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000597176929 361024225 /nfs/dbraw/zinc/02/42/25/361024225.db2.gz KJNZYQMNQWJPLF-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000597748244 361232904 /nfs/dbraw/zinc/23/29/04/361232904.db2.gz XYMSEJZANGIYAT-OLZOCXBDSA-N 1 2 274.324 0.047 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000597748244 361232910 /nfs/dbraw/zinc/23/29/10/361232910.db2.gz XYMSEJZANGIYAT-OLZOCXBDSA-N 1 2 274.324 0.047 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000597820843 361259560 /nfs/dbraw/zinc/25/95/60/361259560.db2.gz PBNCATSHAXAWHB-CYBMUJFWSA-N 1 2 283.372 0.343 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000598000676 361307516 /nfs/dbraw/zinc/30/75/16/361307516.db2.gz ZCRFXXOPXOLYSJ-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000598000676 361307521 /nfs/dbraw/zinc/30/75/21/361307521.db2.gz ZCRFXXOPXOLYSJ-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000598836723 361523606 /nfs/dbraw/zinc/52/36/06/361523606.db2.gz PNSKTKKHAQFFTL-LBPRGKRZSA-N 1 2 279.348 0.002 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2n1CCC2 ZINC000598836374 361523622 /nfs/dbraw/zinc/52/36/22/361523622.db2.gz HVEDPAPQMHABCT-ZDUSSCGKSA-N 1 2 261.329 0.403 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940988 361535336 /nfs/dbraw/zinc/53/53/36/361535336.db2.gz ZVPRMURMUMUNED-SECBINFHSA-N 1 2 255.281 0.448 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944263 361536183 /nfs/dbraw/zinc/53/61/83/361536183.db2.gz LJLDSKOGSLKUML-JTQLQIEISA-N 1 2 255.281 0.448 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599087138 361569580 /nfs/dbraw/zinc/56/95/80/361569580.db2.gz VIUNRVAIGWVVSZ-TUAOUCFPSA-N 1 2 266.345 0.308 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599087138 361569582 /nfs/dbraw/zinc/56/95/82/361569582.db2.gz VIUNRVAIGWVVSZ-TUAOUCFPSA-N 1 2 266.345 0.308 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613863828 364415827 /nfs/dbraw/zinc/41/58/27/364415827.db2.gz RLVQAENQBNJELF-QWHCGFSZSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613863828 364415832 /nfs/dbraw/zinc/41/58/32/364415832.db2.gz RLVQAENQBNJELF-QWHCGFSZSA-N 1 2 254.330 0.926 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000614366575 364586346 /nfs/dbraw/zinc/58/63/46/364586346.db2.gz JNOAZRBLGGYSCJ-QWRGUYRKSA-N 1 2 260.297 0.196 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000615764476 365082939 /nfs/dbraw/zinc/08/29/39/365082939.db2.gz DTGUYXWJDZWXTK-LLVKDONJSA-N 1 2 284.323 0.616 20 30 CCEDLO C=CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000623372247 367549269 /nfs/dbraw/zinc/54/92/69/367549269.db2.gz LPGLASRWIOHEDS-RYUDHWBXSA-N 1 2 292.339 0.011 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296360 367519571 /nfs/dbraw/zinc/51/95/71/367519571.db2.gz HOIJMTIYBCBRMS-GXTWGEPZSA-N 1 2 290.367 0.785 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC000623298727 367522463 /nfs/dbraw/zinc/52/24/63/367522463.db2.gz IRYZNEIYHVCCFI-LLVKDONJSA-N 1 2 286.339 0.796 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624655863 367946193 /nfs/dbraw/zinc/94/61/93/367946193.db2.gz GJLPTVGBXDSOKF-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624655863 367946198 /nfs/dbraw/zinc/94/61/98/367946198.db2.gz GJLPTVGBXDSOKF-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626082372 368434521 /nfs/dbraw/zinc/43/45/21/368434521.db2.gz WTMNTONRCCQKMZ-STQMWFEESA-N 1 2 295.383 0.152 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626082372 368434533 /nfs/dbraw/zinc/43/45/33/368434533.db2.gz WTMNTONRCCQKMZ-STQMWFEESA-N 1 2 295.383 0.152 20 30 CCEDLO C=CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630395420 370092670 /nfs/dbraw/zinc/09/26/70/370092670.db2.gz OZMFWPKIFLQLAV-CQSZACIVSA-N 1 2 283.372 0.087 20 30 CCEDLO C=CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630395420 370092672 /nfs/dbraw/zinc/09/26/72/370092672.db2.gz OZMFWPKIFLQLAV-CQSZACIVSA-N 1 2 283.372 0.087 20 30 CCEDLO C=C(CC)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632425910 371056793 /nfs/dbraw/zinc/05/67/93/371056793.db2.gz KGHRSABZKULMQT-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(CC)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632425910 371056796 /nfs/dbraw/zinc/05/67/96/371056796.db2.gz KGHRSABZKULMQT-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO N#CCCN(C[C@H](O)C[NH+]1CCOCC1)CC1CC1 ZINC000177030605 261326536 /nfs/dbraw/zinc/32/65/36/261326536.db2.gz WDBWHTCVFYRXKB-CQSZACIVSA-N 1 2 267.373 0.305 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293851 373531254 /nfs/dbraw/zinc/53/12/54/373531254.db2.gz RWAVCYIYXOYRKP-CQSZACIVSA-N 1 2 275.352 0.315 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637193591 373992709 /nfs/dbraw/zinc/99/27/09/373992709.db2.gz MZXUTRHRWYZIRF-JLLWLGSASA-N 1 2 262.313 0.451 20 30 CCEDLO C=CC[N@H+](CCc1cnccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531582 375825971 /nfs/dbraw/zinc/82/59/71/375825971.db2.gz KGTOYZRXRIRKDQ-CYBMUJFWSA-N 1 2 281.381 0.694 20 30 CCEDLO C=CC[N@@H+](CCc1cnccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531582 375825981 /nfs/dbraw/zinc/82/59/81/375825981.db2.gz KGTOYZRXRIRKDQ-CYBMUJFWSA-N 1 2 281.381 0.694 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)C1=O ZINC000639689687 375922525 /nfs/dbraw/zinc/92/25/25/375922525.db2.gz KGWZNTDEOPQLSM-XQHKEYJVSA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)C1=O ZINC000639689687 375922534 /nfs/dbraw/zinc/92/25/34/375922534.db2.gz KGWZNTDEOPQLSM-XQHKEYJVSA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)nn1 ZINC000640006972 376186227 /nfs/dbraw/zinc/18/62/27/376186227.db2.gz WROASMUDPZIFKJ-ZIAGYGMSSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)nn1 ZINC000640006972 376186234 /nfs/dbraw/zinc/18/62/34/376186234.db2.gz WROASMUDPZIFKJ-ZIAGYGMSSA-N 1 2 280.372 0.826 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(N)=O)cc2)nn1 ZINC000640893881 376603948 /nfs/dbraw/zinc/60/39/48/376603948.db2.gz YPPGYVCCGFUMNU-UHFFFAOYSA-N 1 2 283.335 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccnc(C)n2)nn1 ZINC000641047002 376711083 /nfs/dbraw/zinc/71/10/83/376711083.db2.gz PCUFNTKUPKOIKS-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(OC)n2)nn1 ZINC000641185399 376859672 /nfs/dbraw/zinc/85/96/72/376859672.db2.gz GKBIAVJCPUGJOA-UHFFFAOYSA-N 1 2 272.312 0.238 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COC(C)C)nn1 ZINC000641190237 376867358 /nfs/dbraw/zinc/86/73/58/376867358.db2.gz MJJUBFWYTLXHLU-ZDUSSCGKSA-N 1 2 266.345 0.177 20 30 CCEDLO C=C(C)COCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641383973 377055182 /nfs/dbraw/zinc/05/51/82/377055182.db2.gz STQFZHCDCWIRMV-UHFFFAOYSA-N 1 2 273.358 0.395 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459669135 249050897 /nfs/dbraw/zinc/05/08/97/249050897.db2.gz CJRAMRIGDBYSMR-YPMHNXCESA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459669135 249050899 /nfs/dbraw/zinc/05/08/99/249050899.db2.gz CJRAMRIGDBYSMR-YPMHNXCESA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+](CCO)CCOCCO ZINC000459771371 249060768 /nfs/dbraw/zinc/06/07/68/249060768.db2.gz BFVJOKDSQYHYQS-UHFFFAOYSA-N 1 2 282.315 0.501 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+](CCO)CCOCCO ZINC000459771371 249060771 /nfs/dbraw/zinc/06/07/71/249060771.db2.gz BFVJOKDSQYHYQS-UHFFFAOYSA-N 1 2 282.315 0.501 20 30 CCEDLO Cc1cc(C#N)nc(N(C)CC[NH+]2CCOCC2)n1 ZINC000281036397 195079556 /nfs/dbraw/zinc/07/95/56/195079556.db2.gz UXLWIFUEDNQNRU-UHFFFAOYSA-N 1 2 261.329 0.425 20 30 CCEDLO CC(C)(O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000572135791 291860180 /nfs/dbraw/zinc/86/01/80/291860180.db2.gz LTTRGQHWTUWGOT-UHFFFAOYSA-N 1 2 291.351 0.323 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283787628 388769714 /nfs/dbraw/zinc/76/97/14/388769714.db2.gz GERAVFNGHMXDEK-LLVKDONJSA-N 1 2 264.329 0.422 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000025520322 388815754 /nfs/dbraw/zinc/81/57/54/388815754.db2.gz VIBBCXJRIUUEHA-ZDUSSCGKSA-N 1 2 287.363 0.652 20 30 CCEDLO C=CCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000288559748 388863530 /nfs/dbraw/zinc/86/35/30/388863530.db2.gz JTRPRMFDKQONSX-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@H]1CN(C(=O)c2sccc2C#N)CC[N@@H+]1CCO ZINC000187284001 388875489 /nfs/dbraw/zinc/87/54/89/388875489.db2.gz YMCFTEBUYUNZDC-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2sccc2C#N)CC[N@H+]1CCO ZINC000187284001 388875491 /nfs/dbraw/zinc/87/54/91/388875491.db2.gz YMCFTEBUYUNZDC-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000291196087 388919138 /nfs/dbraw/zinc/91/91/38/388919138.db2.gz TXNJIKRLTQIRGD-VXGBXAGGSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000291196087 388919140 /nfs/dbraw/zinc/91/91/40/388919140.db2.gz TXNJIKRLTQIRGD-VXGBXAGGSA-N 1 2 278.356 0.787 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C#C)c1 ZINC000053207008 388929412 /nfs/dbraw/zinc/92/94/12/388929412.db2.gz AUNJPKDUZMNMEI-ZDUSSCGKSA-N 1 2 297.358 0.676 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#C)c1 ZINC000053207008 388929415 /nfs/dbraw/zinc/92/94/15/388929415.db2.gz AUNJPKDUZMNMEI-ZDUSSCGKSA-N 1 2 297.358 0.676 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000292291880 388947954 /nfs/dbraw/zinc/94/79/54/388947954.db2.gz KMMJPOFUYKEQRI-UHFFFAOYSA-N 1 2 289.383 0.814 20 30 CCEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1S(C)(=O)=O ZINC000191455429 389011275 /nfs/dbraw/zinc/01/12/75/389011275.db2.gz UFYKNKJDFNFGAB-NSHDSACASA-N 1 2 296.396 0.362 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1S(C)(=O)=O ZINC000191455429 389011278 /nfs/dbraw/zinc/01/12/78/389011278.db2.gz UFYKNKJDFNFGAB-NSHDSACASA-N 1 2 296.396 0.362 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735497 389032345 /nfs/dbraw/zinc/03/23/45/389032345.db2.gz XIWOPONUEMTDNI-CQSZACIVSA-N 1 2 274.320 0.385 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000092735497 389032348 /nfs/dbraw/zinc/03/23/48/389032348.db2.gz XIWOPONUEMTDNI-CQSZACIVSA-N 1 2 274.320 0.385 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc(C(=O)OC)nn2)CC1 ZINC000301101163 389046074 /nfs/dbraw/zinc/04/60/74/389046074.db2.gz LRUGORKNHOCASK-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(F)F)CC2)C1=O ZINC000337142268 389047515 /nfs/dbraw/zinc/04/75/15/389047515.db2.gz TVHGDRAZONWOMR-LLVKDONJSA-N 1 2 273.327 0.656 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2C[C@@H](C)O)C1=O ZINC000337206840 389054910 /nfs/dbraw/zinc/05/49/10/389054910.db2.gz NIKITCDUKRTZSC-UPJWGTAASA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@@H](C)O)C1=O ZINC000337206840 389054916 /nfs/dbraw/zinc/05/49/16/389054916.db2.gz NIKITCDUKRTZSC-UPJWGTAASA-N 1 2 268.357 0.245 20 30 CCEDLO C#CC[N@H+](CC(=O)NCC#N)Cc1ccc(F)cc1 ZINC000102823123 389075198 /nfs/dbraw/zinc/07/51/98/389075198.db2.gz YFFUAJLNMWXQTC-UHFFFAOYSA-N 1 2 259.284 0.901 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCC#N)Cc1ccc(F)cc1 ZINC000102823123 389075199 /nfs/dbraw/zinc/07/51/99/389075199.db2.gz YFFUAJLNMWXQTC-UHFFFAOYSA-N 1 2 259.284 0.901 20 30 CCEDLO C[C@@H]1CCN(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000337066346 389040804 /nfs/dbraw/zinc/04/08/04/389040804.db2.gz KVKKHPWKJOPXIB-CQSZACIVSA-N 1 2 294.399 0.996 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC1CCCC1 ZINC000328902896 389144269 /nfs/dbraw/zinc/14/42/69/389144269.db2.gz HEASSTBRSHJDLD-SNVBAGLBSA-N 1 2 280.328 0.962 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC1CCCC1 ZINC000328902896 389144271 /nfs/dbraw/zinc/14/42/71/389144271.db2.gz HEASSTBRSHJDLD-SNVBAGLBSA-N 1 2 280.328 0.962 20 30 CCEDLO Cc1ccccc1N1CC[NH+](CC(=O)NCC#N)CC1 ZINC000108850776 389099346 /nfs/dbraw/zinc/09/93/46/389099346.db2.gz OLJAWEMLFABRJY-UHFFFAOYSA-N 1 2 272.352 0.757 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756185 389099846 /nfs/dbraw/zinc/09/98/46/389099846.db2.gz ODTUUGOGDGGWSH-SCZZXKLOSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756185 389099849 /nfs/dbraw/zinc/09/98/49/389099849.db2.gz ODTUUGOGDGGWSH-SCZZXKLOSA-N 1 2 266.263 0.676 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000110916994 389102834 /nfs/dbraw/zinc/10/28/34/389102834.db2.gz NKLCVWCSEIUROJ-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366537 389109869 /nfs/dbraw/zinc/10/98/69/389109869.db2.gz KKNNUQBMYISDBB-MELADBBJSA-N 1 2 282.384 0.899 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366537 389109870 /nfs/dbraw/zinc/10/98/70/389109870.db2.gz KKNNUQBMYISDBB-MELADBBJSA-N 1 2 282.384 0.899 20 30 CCEDLO Cc1ccccc1CCNC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121390479 389148110 /nfs/dbraw/zinc/14/81/10/389148110.db2.gz HEXFBLMRLNDJRJ-LBPRGKRZSA-N 1 2 293.367 0.713 20 30 CCEDLO CCN(CC)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000338885600 389118477 /nfs/dbraw/zinc/11/84/77/389118477.db2.gz ARFUZMXJNHPNJG-UHFFFAOYSA-N 1 2 282.388 0.996 20 30 CCEDLO COCC[N@H+](CCOCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000339052946 389123311 /nfs/dbraw/zinc/12/33/11/389123311.db2.gz DELGBRTVXHTGMB-LBPRGKRZSA-N 1 2 290.385 0.052 20 30 CCEDLO COCC[N@@H+](CCOCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000339052946 389123313 /nfs/dbraw/zinc/12/33/13/389123313.db2.gz DELGBRTVXHTGMB-LBPRGKRZSA-N 1 2 290.385 0.052 20 30 CCEDLO C=CCN(CCOC)C(=O)NCc1[nH+]ccn1C ZINC000358403048 389149314 /nfs/dbraw/zinc/14/93/14/389149314.db2.gz AHVNDYPRKJCEJC-UHFFFAOYSA-N 1 2 252.318 0.764 20 30 CCEDLO C=CC[N@@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)C1CC1 ZINC000357527315 389135814 /nfs/dbraw/zinc/13/58/14/389135814.db2.gz IVWLVRLGXXNXGM-UHFFFAOYSA-N 1 2 292.339 0.384 20 30 CCEDLO C=CC[N@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)C1CC1 ZINC000357527315 389135818 /nfs/dbraw/zinc/13/58/18/389135818.db2.gz IVWLVRLGXXNXGM-UHFFFAOYSA-N 1 2 292.339 0.384 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCN(C)C1=O ZINC000328811391 389138963 /nfs/dbraw/zinc/13/89/63/389138963.db2.gz FIIXIDNFHHJHJW-NSHDSACASA-N 1 2 264.329 0.930 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC000329666914 389184675 /nfs/dbraw/zinc/18/46/75/389184675.db2.gz QJGNPZSOSGXRCH-MDZLAQPJSA-N 1 2 254.330 0.700 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC000329666914 389184676 /nfs/dbraw/zinc/18/46/76/389184676.db2.gz QJGNPZSOSGXRCH-MDZLAQPJSA-N 1 2 254.330 0.700 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000359951813 389186620 /nfs/dbraw/zinc/18/66/20/389186620.db2.gz FELWPYPGPIUXTR-JTQLQIEISA-N 1 2 263.345 0.395 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329765597 389197911 /nfs/dbraw/zinc/19/79/11/389197911.db2.gz XDFPNPFZSPWJDK-SNVBAGLBSA-N 1 2 296.375 0.112 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329765597 389197915 /nfs/dbraw/zinc/19/79/15/389197915.db2.gz XDFPNPFZSPWJDK-SNVBAGLBSA-N 1 2 296.375 0.112 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCC#N ZINC000360486751 389198440 /nfs/dbraw/zinc/19/84/40/389198440.db2.gz FRFWNMIGWGPGBH-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO CC#CCC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000360493544 389199259 /nfs/dbraw/zinc/19/92/59/389199259.db2.gz YLCASDSTUQUQOT-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000360493544 389199261 /nfs/dbraw/zinc/19/92/61/389199261.db2.gz YLCASDSTUQUQOT-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000228261069 389153803 /nfs/dbraw/zinc/15/38/03/389153803.db2.gz ARWPPRNCPGQANZ-AWEZNQCLSA-N 1 2 286.335 0.707 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000228261069 389153806 /nfs/dbraw/zinc/15/38/06/389153806.db2.gz ARWPPRNCPGQANZ-AWEZNQCLSA-N 1 2 286.335 0.707 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccn1 ZINC000329457972 389164932 /nfs/dbraw/zinc/16/49/32/389164932.db2.gz QWQPWELJYODBSJ-NEPJUHHUSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccn1 ZINC000329457972 389164934 /nfs/dbraw/zinc/16/49/34/389164934.db2.gz QWQPWELJYODBSJ-NEPJUHHUSA-N 1 2 292.339 0.651 20 30 CCEDLO CO[C@@H]1CCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329613006 389176641 /nfs/dbraw/zinc/17/66/41/389176641.db2.gz ORSQZOAXYCLPQL-IGQOVBAYSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@@H]1CCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329613006 389176643 /nfs/dbraw/zinc/17/66/43/389176643.db2.gz ORSQZOAXYCLPQL-IGQOVBAYSA-N 1 2 297.399 0.730 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000330434936 389228893 /nfs/dbraw/zinc/22/88/93/389228893.db2.gz QGNHPJKTJYXUPR-NSHDSACASA-N 1 2 284.360 0.027 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000330434936 389228896 /nfs/dbraw/zinc/22/88/96/389228896.db2.gz QGNHPJKTJYXUPR-NSHDSACASA-N 1 2 284.360 0.027 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c[nH+]1 ZINC000330461257 389232295 /nfs/dbraw/zinc/23/22/95/389232295.db2.gz RROJBLRHYQKLAN-LBPRGKRZSA-N 1 2 294.355 0.906 20 30 CCEDLO CC[C@H](C(=O)N(C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330467021 389232816 /nfs/dbraw/zinc/23/28/16/389232816.db2.gz XURCHBXJTBGQRZ-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H](C(=O)N(C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330467021 389232819 /nfs/dbraw/zinc/23/28/19/389232819.db2.gz XURCHBXJTBGQRZ-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246889395 389232933 /nfs/dbraw/zinc/23/29/33/389232933.db2.gz DPNQCDGQXAOMJZ-NWDGAFQWSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246889395 389232935 /nfs/dbraw/zinc/23/29/35/389232935.db2.gz DPNQCDGQXAOMJZ-NWDGAFQWSA-N 1 2 257.355 0.288 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000362371097 389234640 /nfs/dbraw/zinc/23/46/40/389234640.db2.gz PIYASRCQDSFNII-SRVKXCTJSA-N 1 2 255.362 0.969 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331809875 389313628 /nfs/dbraw/zinc/31/36/28/389313628.db2.gz UKLAXKOVJFJYEZ-MROQNXINSA-N 1 2 281.356 0.054 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331809875 389313629 /nfs/dbraw/zinc/31/36/29/389313629.db2.gz UKLAXKOVJFJYEZ-MROQNXINSA-N 1 2 281.356 0.054 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000331995865 389317972 /nfs/dbraw/zinc/31/79/72/389317972.db2.gz FHVATTCAOFDDPS-UHFFFAOYSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000331995865 389317973 /nfs/dbraw/zinc/31/79/73/389317973.db2.gz FHVATTCAOFDDPS-UHFFFAOYSA-N 1 2 255.318 0.107 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155889286 389321219 /nfs/dbraw/zinc/32/12/19/389321219.db2.gz SVDBFPCMKUTAOK-NSHDSACASA-N 1 2 291.317 0.694 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155889286 389321223 /nfs/dbraw/zinc/32/12/23/389321223.db2.gz SVDBFPCMKUTAOK-NSHDSACASA-N 1 2 291.317 0.694 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000155835260 389321259 /nfs/dbraw/zinc/32/12/59/389321259.db2.gz RLJUQOGVLOZHLN-CQSZACIVSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000155835260 389321264 /nfs/dbraw/zinc/32/12/64/389321264.db2.gz RLJUQOGVLOZHLN-CQSZACIVSA-N 1 2 288.351 0.417 20 30 CCEDLO CCO[C@@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346504478 389330430 /nfs/dbraw/zinc/33/04/30/389330430.db2.gz HNHZKCWVXSPIFT-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO CCO[C@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346504474 389330631 /nfs/dbraw/zinc/33/06/31/389330631.db2.gz HNHZKCWVXSPIFT-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000157945860 389334584 /nfs/dbraw/zinc/33/45/84/389334584.db2.gz JFXWAYJJYBUCKB-JHJVBQTASA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000157945860 389334586 /nfs/dbraw/zinc/33/45/86/389334586.db2.gz JFXWAYJJYBUCKB-JHJVBQTASA-N 1 2 268.357 0.557 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000364746181 389272793 /nfs/dbraw/zinc/27/27/93/389272793.db2.gz LUZBZHHXUJQNOS-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000364746181 389272798 /nfs/dbraw/zinc/27/27/98/389272798.db2.gz LUZBZHHXUJQNOS-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO Cn1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331310726 389302659 /nfs/dbraw/zinc/30/26/59/389302659.db2.gz BSKWTFSRJNBFCM-UHFFFAOYSA-N 1 2 266.345 0.836 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000348553177 389382298 /nfs/dbraw/zinc/38/22/98/389382298.db2.gz NYRFEWQUXASYBF-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000348553177 389382303 /nfs/dbraw/zinc/38/23/03/389382303.db2.gz NYRFEWQUXASYBF-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000160348119 389386535 /nfs/dbraw/zinc/38/65/35/389386535.db2.gz BHSMNEBITHSDIQ-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000347212149 389349332 /nfs/dbraw/zinc/34/93/32/389349332.db2.gz UYJTUPWHPCUWJA-QWRGUYRKSA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000347212149 389349335 /nfs/dbraw/zinc/34/93/35/389349335.db2.gz UYJTUPWHPCUWJA-QWRGUYRKSA-N 1 2 278.356 0.135 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c[nH]1 ZINC000367752415 389355227 /nfs/dbraw/zinc/35/52/27/389355227.db2.gz GMIAAFJZPCBCJJ-CYBMUJFWSA-N 1 2 274.324 0.433 20 30 CCEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)N(C)CCC#N ZINC000411182279 389419476 /nfs/dbraw/zinc/41/94/76/389419476.db2.gz QMCKFOKVEGEAPI-ZDUSSCGKSA-N 1 2 296.415 0.985 20 30 CCEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)N(C)CCC#N ZINC000411182279 389419482 /nfs/dbraw/zinc/41/94/82/389419482.db2.gz QMCKFOKVEGEAPI-ZDUSSCGKSA-N 1 2 296.415 0.985 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270181417 389429935 /nfs/dbraw/zinc/42/99/35/389429935.db2.gz GNFCWVGPFYXPDN-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270181417 389429938 /nfs/dbraw/zinc/42/99/38/389429938.db2.gz GNFCWVGPFYXPDN-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)OCC ZINC000411646830 389440748 /nfs/dbraw/zinc/44/07/48/389440748.db2.gz QCLUNWBAJFTJNA-NSHDSACASA-N 1 2 299.371 0.662 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H](C)C(=O)OCC ZINC000411646830 389440750 /nfs/dbraw/zinc/44/07/50/389440750.db2.gz QCLUNWBAJFTJNA-NSHDSACASA-N 1 2 299.371 0.662 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCCNc1cccc[nH+]1 ZINC000272021575 389457505 /nfs/dbraw/zinc/45/75/05/389457505.db2.gz RYZOPKBOJIQVPD-UHFFFAOYSA-N 1 2 277.328 0.095 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277314008 389556154 /nfs/dbraw/zinc/55/61/54/389556154.db2.gz CTRUMBSTTJNHFH-UHFFFAOYSA-N 1 2 293.396 0.744 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277314008 389556157 /nfs/dbraw/zinc/55/61/57/389556157.db2.gz CTRUMBSTTJNHFH-UHFFFAOYSA-N 1 2 293.396 0.744 20 30 CCEDLO CC#CC[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000334634671 389500200 /nfs/dbraw/zinc/50/02/00/389500200.db2.gz NNLJBKJRKSVVBT-LBPRGKRZSA-N 1 2 260.341 0.590 20 30 CCEDLO CC#CC[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000334634671 389500203 /nfs/dbraw/zinc/50/02/03/389500203.db2.gz NNLJBKJRKSVVBT-LBPRGKRZSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000182474683 389708797 /nfs/dbraw/zinc/70/87/97/389708797.db2.gz XIPVQWOSTCXIRY-HNNXBMFYSA-N 1 2 288.347 0.645 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000182474683 389708802 /nfs/dbraw/zinc/70/88/02/389708802.db2.gz XIPVQWOSTCXIRY-HNNXBMFYSA-N 1 2 288.347 0.645 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000375842982 389719192 /nfs/dbraw/zinc/71/91/92/389719192.db2.gz ADKIIXGGDWZGDY-IINYFYTJSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000375842982 389719194 /nfs/dbraw/zinc/71/91/94/389719194.db2.gz ADKIIXGGDWZGDY-IINYFYTJSA-N 1 2 278.356 0.005 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)OC)C1=O ZINC000282094875 389656679 /nfs/dbraw/zinc/65/66/79/389656679.db2.gz VNDVWTNQMPGLGC-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)OC)C1=O ZINC000282094875 389656684 /nfs/dbraw/zinc/65/66/84/389656684.db2.gz VNDVWTNQMPGLGC-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000181242888 389683638 /nfs/dbraw/zinc/68/36/38/389683638.db2.gz DZFDDSDQWNFZMK-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000181242888 389683640 /nfs/dbraw/zinc/68/36/40/389683640.db2.gz DZFDDSDQWNFZMK-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181320512 389684616 /nfs/dbraw/zinc/68/46/16/389684616.db2.gz UKBFXVWIHYGIBQ-YUMQZZPRSA-N 1 2 254.252 0.532 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181320512 389684620 /nfs/dbraw/zinc/68/46/20/389684620.db2.gz UKBFXVWIHYGIBQ-YUMQZZPRSA-N 1 2 254.252 0.532 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375622310 389693374 /nfs/dbraw/zinc/69/33/74/389693374.db2.gz CZDIKFGJYKBJDY-OLZOCXBDSA-N 1 2 288.413 0.687 20 30 CCEDLO C#C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376441578 389735963 /nfs/dbraw/zinc/73/59/63/389735963.db2.gz MBRKFSHZIQCHAN-AVGNSLFASA-N 1 2 265.357 0.513 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000352415672 389807532 /nfs/dbraw/zinc/80/75/32/389807532.db2.gz YUIKOVIKTJICMC-SNVBAGLBSA-N 1 2 268.342 0.762 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451612 389813040 /nfs/dbraw/zinc/81/30/40/389813040.db2.gz YGKXEPGIGQRBEE-VXGBXAGGSA-N 1 2 283.347 0.998 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084356 389825775 /nfs/dbraw/zinc/82/57/75/389825775.db2.gz OUXZZYNXZIXQIV-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000408084356 389825780 /nfs/dbraw/zinc/82/57/80/389825780.db2.gz OUXZZYNXZIXQIV-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO N#CC1(CS(=O)(=O)NCCn2cc[nH+]c2)CCC1 ZINC000354115016 389859670 /nfs/dbraw/zinc/85/96/70/389859670.db2.gz PCEYQBWDJBBLPV-UHFFFAOYSA-N 1 2 268.342 0.496 20 30 CCEDLO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433294194 389907865 /nfs/dbraw/zinc/90/78/65/389907865.db2.gz KGNVSUIGVIEBIJ-MCIONIFRSA-N 1 2 283.416 0.938 20 30 CCEDLO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433294194 389907866 /nfs/dbraw/zinc/90/78/66/389907866.db2.gz KGNVSUIGVIEBIJ-MCIONIFRSA-N 1 2 283.416 0.938 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433301771 389908321 /nfs/dbraw/zinc/90/83/21/389908321.db2.gz WEAXMQJGCUTYHV-SECBINFHSA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433301771 389908323 /nfs/dbraw/zinc/90/83/23/389908323.db2.gz WEAXMQJGCUTYHV-SECBINFHSA-N 1 2 254.334 0.702 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000444661120 389912182 /nfs/dbraw/zinc/91/21/82/389912182.db2.gz HHCHIHPXUYJXGA-CHWSQXEVSA-N 1 2 291.413 0.449 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000444661120 389912184 /nfs/dbraw/zinc/91/21/84/389912184.db2.gz HHCHIHPXUYJXGA-CHWSQXEVSA-N 1 2 291.413 0.449 20 30 CCEDLO C=CCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000447973800 389976103 /nfs/dbraw/zinc/97/61/03/389976103.db2.gz VVHJHSKEFZEMDO-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000447973799 389976214 /nfs/dbraw/zinc/97/62/14/389976214.db2.gz VVHJHSKEFZEMDO-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO CC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1[nH]cc[nH+]1 ZINC000439652378 390025236 /nfs/dbraw/zinc/02/52/36/390025236.db2.gz WTFFYQYNDAAJKT-VIFPVBQESA-N 1 2 288.311 0.242 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000440396041 390036390 /nfs/dbraw/zinc/03/63/90/390036390.db2.gz FOPMYYRBTLELID-NWDGAFQWSA-N 1 2 284.385 0.444 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000440396041 390036392 /nfs/dbraw/zinc/03/63/92/390036392.db2.gz FOPMYYRBTLELID-NWDGAFQWSA-N 1 2 284.385 0.444 20 30 CCEDLO Cc1n[nH]cc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471821166 390079515 /nfs/dbraw/zinc/07/95/15/390079515.db2.gz JNCCKVDPLBJDLG-UHFFFAOYSA-N 1 2 299.382 0.954 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccncn1 ZINC000492943308 390118662 /nfs/dbraw/zinc/11/86/62/390118662.db2.gz BISJWTULSDJSQH-DSYXLKISSA-N 1 2 259.313 0.450 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000579112780 390142363 /nfs/dbraw/zinc/14/23/63/390142363.db2.gz MXXSMIPROSTMRT-MNOVXSKESA-N 1 2 262.313 0.405 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nncn1C ZINC000494780500 390201067 /nfs/dbraw/zinc/20/10/67/390201067.db2.gz BUNZYDFVINPVNL-LLVKDONJSA-N 1 2 298.350 0.654 20 30 CCEDLO C=CCC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC000580161760 390224451 /nfs/dbraw/zinc/22/44/51/390224451.db2.gz BQKCNOXILDVWJQ-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO CCn1cc(CC[NH+]2CCN(C(=O)CC#N)CC2)cn1 ZINC000581141316 390250397 /nfs/dbraw/zinc/25/03/97/390250397.db2.gz YGAAVUDHJXDWPI-UHFFFAOYSA-N 1 2 275.356 0.503 20 30 CCEDLO CN(C)c1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592522942 390363964 /nfs/dbraw/zinc/36/39/64/390363964.db2.gz UFQIRKVIENISAX-ZDUSSCGKSA-N 1 2 261.329 0.393 20 30 CCEDLO CN(C)c1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592522942 390363970 /nfs/dbraw/zinc/36/39/70/390363970.db2.gz UFQIRKVIENISAX-ZDUSSCGKSA-N 1 2 261.329 0.393 20 30 CCEDLO C=CC[N@H+](CCC#N)CCCOC(=O)NC(N)=O ZINC000496791461 390364358 /nfs/dbraw/zinc/36/43/58/390364358.db2.gz FRJQTLIGQQQXEA-UHFFFAOYSA-N 1 2 254.290 0.583 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000583679088 390304186 /nfs/dbraw/zinc/30/41/86/390304186.db2.gz NVPMUAWTNFQJRS-MJBXVCDLSA-N 1 2 297.399 0.692 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000644783437 390312409 /nfs/dbraw/zinc/31/24/09/390312409.db2.gz PSWJKMHHZPQRGI-LBPRGKRZSA-N 1 2 261.387 0.680 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCN4C(=O)OC[C@H]4C3)cnc12 ZINC000497030666 390405638 /nfs/dbraw/zinc/40/56/38/390405638.db2.gz VKFCHIVPMDPRKE-GFCCVEGCSA-N 1 2 298.306 0.237 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCN4C(=O)OC[C@H]4C3)cnc12 ZINC000497030666 390405640 /nfs/dbraw/zinc/40/56/40/390405640.db2.gz VKFCHIVPMDPRKE-GFCCVEGCSA-N 1 2 298.306 0.237 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000554592446 390435455 /nfs/dbraw/zinc/43/54/55/390435455.db2.gz LPDMOHCOQLDTSI-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000554592446 390435456 /nfs/dbraw/zinc/43/54/56/390435456.db2.gz LPDMOHCOQLDTSI-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496910245 390383751 /nfs/dbraw/zinc/38/37/51/390383751.db2.gz JELYERPKYONNFD-JTQLQIEISA-N 1 2 257.334 0.717 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496910245 390383754 /nfs/dbraw/zinc/38/37/54/390383754.db2.gz JELYERPKYONNFD-JTQLQIEISA-N 1 2 257.334 0.717 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2oc(=O)oc2c1 ZINC000565063286 390499801 /nfs/dbraw/zinc/49/98/01/390499801.db2.gz WRVXHEXFFULITP-JTQLQIEISA-N 1 2 292.291 0.971 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2oc(=O)oc2c1 ZINC000565063286 390499802 /nfs/dbraw/zinc/49/98/02/390499802.db2.gz WRVXHEXFFULITP-JTQLQIEISA-N 1 2 292.291 0.971 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC000519420709 390500509 /nfs/dbraw/zinc/50/05/09/390500509.db2.gz NNVURLJIDIXSLY-JTQLQIEISA-N 1 2 268.361 0.299 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000649180673 390510180 /nfs/dbraw/zinc/51/01/80/390510180.db2.gz KJWBTDWEYWUVCI-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2NCC1(CC#N)CC1 ZINC000519619280 390518755 /nfs/dbraw/zinc/51/87/55/390518755.db2.gz WXJZZVMWPHXIKE-UHFFFAOYSA-N 1 2 257.301 0.882 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(N)=O)cc1 ZINC000566317973 390596596 /nfs/dbraw/zinc/59/65/96/390596596.db2.gz MVAXVQUURWRTQG-LBPRGKRZSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(N)=O)cc1 ZINC000566317973 390596599 /nfs/dbraw/zinc/59/65/99/390596599.db2.gz MVAXVQUURWRTQG-LBPRGKRZSA-N 1 2 277.324 0.371 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568226706 390713310 /nfs/dbraw/zinc/71/33/10/390713310.db2.gz HSTBCXSMKVIIDS-JTQLQIEISA-N 1 2 250.302 0.587 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568226706 390713311 /nfs/dbraw/zinc/71/33/11/390713311.db2.gz HSTBCXSMKVIIDS-JTQLQIEISA-N 1 2 250.302 0.587 20 30 CCEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1(C#N)CCC1 ZINC000570412306 390718499 /nfs/dbraw/zinc/71/84/99/390718499.db2.gz YAZGTKGLMNEVSV-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1(C#N)CCC1 ZINC000570412306 390718503 /nfs/dbraw/zinc/71/85/03/390718503.db2.gz YAZGTKGLMNEVSV-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000526057774 390674467 /nfs/dbraw/zinc/67/44/67/390674467.db2.gz CMBYIQGCDUBBQT-NWDGAFQWSA-N 1 2 290.367 0.244 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000526057774 390674471 /nfs/dbraw/zinc/67/44/71/390674471.db2.gz CMBYIQGCDUBBQT-NWDGAFQWSA-N 1 2 290.367 0.244 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ncn3)CC2)on1 ZINC000527130400 390693557 /nfs/dbraw/zinc/69/35/57/390693557.db2.gz YGQXLFZVJKUJID-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567392112 390697100 /nfs/dbraw/zinc/69/71/00/390697100.db2.gz FDQHORIZDHGITF-YRGRVCCFSA-N 1 2 283.372 0.388 20 30 CCEDLO Cc1cc(NC[C@H](C)S(C)(=O)=O)c(C#N)c[nH+]1 ZINC000567494882 390701590 /nfs/dbraw/zinc/70/15/90/390701590.db2.gz FZKADWVBMCKLDS-VIFPVBQESA-N 1 2 253.327 0.529 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000577978479 390856616 /nfs/dbraw/zinc/85/66/16/390856616.db2.gz PQHPXTIJVPFCKB-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000577978479 390856619 /nfs/dbraw/zinc/85/66/19/390856619.db2.gz PQHPXTIJVPFCKB-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO N#Cc1ccncc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000578005328 390858108 /nfs/dbraw/zinc/85/81/08/390858108.db2.gz JVNLCPSGCCDSHQ-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[S@](C)=O ZINC000766729292 581578791 /nfs/dbraw/zinc/57/87/91/581578791.db2.gz DLOAYDPTMUKLCP-PZROIBLQSA-N 1 2 270.398 0.357 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CC(N)=O)CC2)cc1F ZINC000191898561 130325919 /nfs/dbraw/zinc/32/59/19/130325919.db2.gz WINGXIIOSQVHPM-UHFFFAOYSA-N 1 2 276.315 0.300 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246514313 131095138 /nfs/dbraw/zinc/09/51/38/131095138.db2.gz OXRLIUCKFMRLKE-UPJWGTAASA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246514313 131095139 /nfs/dbraw/zinc/09/51/39/131095139.db2.gz OXRLIUCKFMRLKE-UPJWGTAASA-N 1 2 295.383 0.150 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268446987 132011025 /nfs/dbraw/zinc/01/10/25/132011025.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268446987 132011026 /nfs/dbraw/zinc/01/10/26/132011026.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268446987 132011028 /nfs/dbraw/zinc/01/10/28/132011028.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268446987 132011030 /nfs/dbraw/zinc/01/10/30/132011030.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268446987 132011032 /nfs/dbraw/zinc/01/10/32/132011032.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268446987 132011033 /nfs/dbraw/zinc/01/10/33/132011033.db2.gz ICKXYLPQRYOWPM-JQWIXIFHSA-N 1 2 275.356 0.430 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000268584282 132030632 /nfs/dbraw/zinc/03/06/32/132030632.db2.gz UMHVCEBMMWSUPU-QWHCGFSZSA-N 1 2 273.398 0.989 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000268584282 132030635 /nfs/dbraw/zinc/03/06/35/132030635.db2.gz UMHVCEBMMWSUPU-QWHCGFSZSA-N 1 2 273.398 0.989 20 30 CCEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC1 ZINC000328634104 397449272 /nfs/dbraw/zinc/44/92/72/397449272.db2.gz BGOBLHQTBADHCK-OLZOCXBDSA-N 1 2 297.399 0.732 20 30 CCEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC1 ZINC000328634104 397449276 /nfs/dbraw/zinc/44/92/76/397449276.db2.gz BGOBLHQTBADHCK-OLZOCXBDSA-N 1 2 297.399 0.732 20 30 CCEDLO C[C@@H](NC(=O)c1cnccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000358761999 144178321 /nfs/dbraw/zinc/17/83/21/144178321.db2.gz UIXXDIAWDSKJHG-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658918815 413234392 /nfs/dbraw/zinc/23/43/92/413234392.db2.gz CYBHQMDUSFYIER-LLVKDONJSA-N 1 2 277.324 0.608 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329622250 297130040 /nfs/dbraw/zinc/13/00/40/297130040.db2.gz RSURTIUTVSGXOT-MROQNXINSA-N 1 2 283.372 0.340 20 30 CCEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N(C)C ZINC000049024180 411668154 /nfs/dbraw/zinc/66/81/54/411668154.db2.gz NJUCJAGJPYUPTC-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N(C)C ZINC000049024180 411668161 /nfs/dbraw/zinc/66/81/61/411668161.db2.gz NJUCJAGJPYUPTC-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO CCNC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458974 411765416 /nfs/dbraw/zinc/76/54/16/411765416.db2.gz RFOTUAMZFWHKOQ-UHFFFAOYSA-N 1 2 256.281 0.160 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCOC)C[C@H](O)C(F)(F)F ZINC000653789928 412348190 /nfs/dbraw/zinc/34/81/90/412348190.db2.gz CNZGSVKGUXJKNQ-VIFPVBQESA-N 1 2 284.278 0.160 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCOC)C[C@H](O)C(F)(F)F ZINC000653789928 412348193 /nfs/dbraw/zinc/34/81/93/412348193.db2.gz CNZGSVKGUXJKNQ-VIFPVBQESA-N 1 2 284.278 0.160 20 30 CCEDLO CCC[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OCC ZINC000284997754 196173458 /nfs/dbraw/zinc/17/34/58/196173458.db2.gz FNGBOAKCRKAPQS-JTQLQIEISA-N 1 2 265.317 0.471 20 30 CCEDLO C=CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660214114 414199517 /nfs/dbraw/zinc/19/95/17/414199517.db2.gz CQMGLRFXLVIJQU-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(CC)C2=O)C1=O ZINC000660463731 414340771 /nfs/dbraw/zinc/34/07/71/414340771.db2.gz GPJVJYOGKFYFDB-RYUDHWBXSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(CC)C2=O)C1=O ZINC000660463731 414340781 /nfs/dbraw/zinc/34/07/81/414340781.db2.gz GPJVJYOGKFYFDB-RYUDHWBXSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000660641096 414421905 /nfs/dbraw/zinc/42/19/05/414421905.db2.gz WNKNMSUPPZMITH-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000660641096 414421908 /nfs/dbraw/zinc/42/19/08/414421908.db2.gz WNKNMSUPPZMITH-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=C(C)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661047604 414547730 /nfs/dbraw/zinc/54/77/30/414547730.db2.gz OSKPWCIOKGWAJI-GFCCVEGCSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661786184 414674709 /nfs/dbraw/zinc/67/47/09/414674709.db2.gz AWDHKSPXKFZZKY-CQSZACIVSA-N 1 2 297.399 0.695 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3nccnc3C2)C1=O ZINC000662120265 414691664 /nfs/dbraw/zinc/69/16/64/414691664.db2.gz BGDVRWMBYUIBMS-CYBMUJFWSA-N 1 2 258.325 0.622 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3nccnc3C2)C1=O ZINC000662120265 414691665 /nfs/dbraw/zinc/69/16/65/414691665.db2.gz BGDVRWMBYUIBMS-CYBMUJFWSA-N 1 2 258.325 0.622 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664443165 415386567 /nfs/dbraw/zinc/38/65/67/415386567.db2.gz BKEMTKVNBHABFG-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664443165 415386575 /nfs/dbraw/zinc/38/65/75/415386575.db2.gz BKEMTKVNBHABFG-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO Cc1cnc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000329986261 228007070 /nfs/dbraw/zinc/00/70/70/228007070.db2.gz FAJKVDURWGLJCM-JTQLQIEISA-N 1 2 281.360 0.945 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCNC(=O)C2CC2)[nH+]1 ZINC000330178241 228057416 /nfs/dbraw/zinc/05/74/16/228057416.db2.gz DNACRRLDNDADCV-UHFFFAOYSA-N 1 2 264.333 0.446 20 30 CCEDLO Cc1nc(NCCNC(=O)C2CC2)nc(N(C)C)[nH+]1 ZINC000330178241 228057418 /nfs/dbraw/zinc/05/74/18/228057418.db2.gz DNACRRLDNDADCV-UHFFFAOYSA-N 1 2 264.333 0.446 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCO ZINC000330280461 228091488 /nfs/dbraw/zinc/09/14/88/228091488.db2.gz SLQNKQJYKFTLOR-NEPJUHHUSA-N 1 2 278.356 0.959 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1cccnc1 ZINC000330282228 228092570 /nfs/dbraw/zinc/09/25/70/228092570.db2.gz VEWWHYPFPIEOTE-GFCCVEGCSA-N 1 2 289.339 0.452 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1cccnc1 ZINC000330282228 228092572 /nfs/dbraw/zinc/09/25/72/228092572.db2.gz VEWWHYPFPIEOTE-GFCCVEGCSA-N 1 2 289.339 0.452 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCc2nncn2C1 ZINC000330345815 228162093 /nfs/dbraw/zinc/16/20/93/228162093.db2.gz FQSNUXNULXRUJV-NEPJUHHUSA-N 1 2 293.371 0.518 20 30 CCEDLO Cc1ncsc1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329428216 545023042 /nfs/dbraw/zinc/02/30/42/545023042.db2.gz HAARIFSTBZWTSJ-NSHDSACASA-N 1 2 297.428 0.701 20 30 CCEDLO Cc1ncsc1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329428216 545023044 /nfs/dbraw/zinc/02/30/44/545023044.db2.gz HAARIFSTBZWTSJ-NSHDSACASA-N 1 2 297.428 0.701 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407988104 260151305 /nfs/dbraw/zinc/15/13/05/260151305.db2.gz ABQBWYPDXPCJCL-SDDRHHMPSA-N 1 2 251.330 0.204 20 30 CCEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000048376225 260199367 /nfs/dbraw/zinc/19/93/67/260199367.db2.gz PBAUOLGTSWARAS-UHFFFAOYSA-N 1 2 297.742 0.836 20 30 CCEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CCN1c1nccn2cnnc12 ZINC000408109941 260236190 /nfs/dbraw/zinc/23/61/90/260236190.db2.gz ITOUNUMOBOKGRD-LBPRGKRZSA-N 1 2 297.366 0.939 20 30 CCEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CCN1c1nccn2cnnc12 ZINC000408109941 260236191 /nfs/dbraw/zinc/23/61/91/260236191.db2.gz ITOUNUMOBOKGRD-LBPRGKRZSA-N 1 2 297.366 0.939 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnccn1 ZINC000080966626 260326630 /nfs/dbraw/zinc/32/66/30/260326630.db2.gz DEEDNPURDCPNFT-NSHDSACASA-N 1 2 261.329 0.669 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnccn1 ZINC000080966626 260326631 /nfs/dbraw/zinc/32/66/31/260326631.db2.gz DEEDNPURDCPNFT-NSHDSACASA-N 1 2 261.329 0.669 20 30 CCEDLO CN(C(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000136063392 260923672 /nfs/dbraw/zinc/92/36/72/260923672.db2.gz MDSIFVLJGOXSKC-UHFFFAOYSA-N 1 2 251.286 0.321 20 30 CCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448897272 261143125 /nfs/dbraw/zinc/14/31/25/261143125.db2.gz QBGNHYJJSLOGPI-RISCZKNCSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448897272 261143128 /nfs/dbraw/zinc/14/31/28/261143128.db2.gz QBGNHYJJSLOGPI-RISCZKNCSA-N 1 2 265.357 0.763 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000490739181 261195323 /nfs/dbraw/zinc/19/53/23/261195323.db2.gz HEZNCEIPKOFPBM-UHFFFAOYSA-N 1 2 275.308 0.762 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000490739181 261195325 /nfs/dbraw/zinc/19/53/25/261195325.db2.gz HEZNCEIPKOFPBM-UHFFFAOYSA-N 1 2 275.308 0.762 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000490761954 261203661 /nfs/dbraw/zinc/20/36/61/261203661.db2.gz YIWYMHPCRYBFCN-CABCVRRESA-N 1 2 275.396 0.986 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000490800994 261210923 /nfs/dbraw/zinc/21/09/23/261210923.db2.gz ZSAKNVVRKKAOEV-AWEZNQCLSA-N 1 2 298.342 0.511 20 30 CCEDLO NC(COc1ccccc1F)=[NH+]OCC1OCCO1 ZINC000194706518 262241371 /nfs/dbraw/zinc/24/13/71/262241371.db2.gz KLXXOEGVRUFYPR-UHFFFAOYSA-N 1 2 270.260 0.866 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000495865293 262318240 /nfs/dbraw/zinc/31/82/40/262318240.db2.gz AKSRCLYCCGRQIK-LBPRGKRZSA-N 1 2 296.371 0.521 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000495865293 262318242 /nfs/dbraw/zinc/31/82/42/262318242.db2.gz AKSRCLYCCGRQIK-LBPRGKRZSA-N 1 2 296.371 0.521 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274361413 263023575 /nfs/dbraw/zinc/02/35/75/263023575.db2.gz NMRFSJSWLHZVQG-QMMMGPOBSA-N 1 2 296.283 0.593 20 30 CCEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)CC#N)CC2)S1 ZINC000274753277 263030089 /nfs/dbraw/zinc/03/00/89/263030089.db2.gz VTNFRVWFJMDBRM-UHFFFAOYSA-N 1 2 266.370 0.926 20 30 CCEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275467016 263033483 /nfs/dbraw/zinc/03/34/83/263033483.db2.gz LDGIBWFGSLTMQF-UHFFFAOYSA-N 1 2 295.339 0.373 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280891464 263064783 /nfs/dbraw/zinc/06/47/83/263064783.db2.gz DCLCUMSVXBFKRB-CMPLNLGQSA-N 1 2 263.345 0.831 20 30 CCEDLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284549599 263087325 /nfs/dbraw/zinc/08/73/25/263087325.db2.gz VVOKIRRDHNVTNA-LLVKDONJSA-N 1 2 281.312 0.706 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2nc(N(C)C)no2)c1 ZINC000289343330 263109333 /nfs/dbraw/zinc/10/93/33/263109333.db2.gz GHNUBHHBYIVAJG-UHFFFAOYSA-N 1 2 291.311 0.981 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCc1cn(CC(=O)OC)nn1 ZINC000292063860 263127858 /nfs/dbraw/zinc/12/78/58/263127858.db2.gz CFZKYMPSTGQNKM-UHFFFAOYSA-N 1 2 277.328 0.395 20 30 CCEDLO C=CC[N@H+](CCC#N)CCc1cn(CC(=O)OC)nn1 ZINC000292063860 263127859 /nfs/dbraw/zinc/12/78/59/263127859.db2.gz CFZKYMPSTGQNKM-UHFFFAOYSA-N 1 2 277.328 0.395 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163804931 263259362 /nfs/dbraw/zinc/25/93/62/263259362.db2.gz GBTPVPJDGMJDSL-GHMZBOCLSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163804931 263259363 /nfs/dbraw/zinc/25/93/63/263259363.db2.gz GBTPVPJDGMJDSL-GHMZBOCLSA-N 1 2 256.346 0.149 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416477198 263722358 /nfs/dbraw/zinc/72/23/58/263722358.db2.gz QZIHXCLJDIUMQP-TUAOUCFPSA-N 1 2 289.401 0.269 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416477198 263722360 /nfs/dbraw/zinc/72/23/60/263722360.db2.gz QZIHXCLJDIUMQP-TUAOUCFPSA-N 1 2 289.401 0.269 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)C1 ZINC000330710270 264020859 /nfs/dbraw/zinc/02/08/59/264020859.db2.gz TUONICZTQJCAAT-WDEREUQCSA-N 1 2 299.419 0.686 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)C1 ZINC000330710270 264020860 /nfs/dbraw/zinc/02/08/60/264020860.db2.gz TUONICZTQJCAAT-WDEREUQCSA-N 1 2 299.419 0.686 20 30 CCEDLO COCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330936139 264080983 /nfs/dbraw/zinc/08/09/83/264080983.db2.gz QRKHSNNJNCGBJS-NSHDSACASA-N 1 2 272.393 0.161 20 30 CCEDLO COCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330936139 264080984 /nfs/dbraw/zinc/08/09/84/264080984.db2.gz QRKHSNNJNCGBJS-NSHDSACASA-N 1 2 272.393 0.161 20 30 CCEDLO CCNC(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000331058268 264109189 /nfs/dbraw/zinc/10/91/89/264109189.db2.gz REGAEWVYJAHYRC-UHFFFAOYSA-N 1 2 279.344 0.420 20 30 CCEDLO CCNC(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000331058268 264109191 /nfs/dbraw/zinc/10/91/91/264109191.db2.gz REGAEWVYJAHYRC-UHFFFAOYSA-N 1 2 279.344 0.420 20 30 CCEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nn1C ZINC000331061190 264110566 /nfs/dbraw/zinc/11/05/66/264110566.db2.gz OBMRYKAWUXHIRZ-SNVBAGLBSA-N 1 2 282.344 0.454 20 30 CCEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)nn1C ZINC000331061190 264110568 /nfs/dbraw/zinc/11/05/68/264110568.db2.gz OBMRYKAWUXHIRZ-SNVBAGLBSA-N 1 2 282.344 0.454 20 30 CCEDLO C=CCCS(=O)(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331175551 264154094 /nfs/dbraw/zinc/15/40/94/264154094.db2.gz KYNOKNZNPRDPMV-LBPRGKRZSA-N 1 2 298.412 0.994 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000331284629 264173150 /nfs/dbraw/zinc/17/31/50/264173150.db2.gz HIZBXDIXTVGQKM-SNVBAGLBSA-N 1 2 299.371 0.843 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000331284629 264173153 /nfs/dbraw/zinc/17/31/53/264173153.db2.gz HIZBXDIXTVGQKM-SNVBAGLBSA-N 1 2 299.371 0.843 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331236230 264175456 /nfs/dbraw/zinc/17/54/56/264175456.db2.gz UDLPZKNCTCXHEK-UHFFFAOYSA-N 1 2 284.385 0.433 20 30 CCEDLO Cc1cncc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000331247264 264179591 /nfs/dbraw/zinc/17/95/91/264179591.db2.gz VGXQXVQTVWIWRF-CYBMUJFWSA-N 1 2 279.340 0.388 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160834093 264262144 /nfs/dbraw/zinc/26/21/44/264262144.db2.gz BVYXIEFPKWPDHN-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000128265838 264288994 /nfs/dbraw/zinc/28/89/94/264288994.db2.gz UYCKFWSGTZGTNX-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871921 264298719 /nfs/dbraw/zinc/29/87/19/264298719.db2.gz FENKZDDGJVGBMC-SNVBAGLBSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871921 264298723 /nfs/dbraw/zinc/29/87/23/264298723.db2.gz FENKZDDGJVGBMC-SNVBAGLBSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000054985178 264347440 /nfs/dbraw/zinc/34/74/40/264347440.db2.gz VZVHRUKPIFKFIK-LLVKDONJSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000054985178 264347443 /nfs/dbraw/zinc/34/74/43/264347443.db2.gz VZVHRUKPIFKFIK-LLVKDONJSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C)CC2)C1=O ZINC000281247879 264480360 /nfs/dbraw/zinc/48/03/60/264480360.db2.gz GRJMGRJROFOQHF-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC(C)CC2)C1=O ZINC000281247879 264480361 /nfs/dbraw/zinc/48/03/61/264480361.db2.gz GRJMGRJROFOQHF-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C#N ZINC000362734644 267040719 /nfs/dbraw/zinc/04/07/19/267040719.db2.gz NNWHEGGICVGCSR-PWSUYJOCSA-N 1 2 291.355 0.511 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C#N ZINC000362734644 267040722 /nfs/dbraw/zinc/04/07/22/267040722.db2.gz NNWHEGGICVGCSR-PWSUYJOCSA-N 1 2 291.355 0.511 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)C#N)CC1 ZINC000368450993 267174003 /nfs/dbraw/zinc/17/40/03/267174003.db2.gz UIGKSKMSQYWYTP-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)C#N)CC1 ZINC000368450993 267174005 /nfs/dbraw/zinc/17/40/05/267174005.db2.gz UIGKSKMSQYWYTP-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccccc3[C@@H]2C(N)=O)C1=O ZINC000369053523 267219794 /nfs/dbraw/zinc/21/97/94/267219794.db2.gz HFEXYPUEGSRXNK-LSDHHAIUSA-N 1 2 299.374 0.858 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)C1=O ZINC000369053523 267219796 /nfs/dbraw/zinc/21/97/96/267219796.db2.gz HFEXYPUEGSRXNK-LSDHHAIUSA-N 1 2 299.374 0.858 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CO[C@@H](C)C2)c1C#N ZINC000527135244 267347660 /nfs/dbraw/zinc/34/76/60/267347660.db2.gz UDMVRLSJLROIBE-VHSXEESVSA-N 1 2 291.355 0.219 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376286013 267955809 /nfs/dbraw/zinc/95/58/09/267955809.db2.gz QIGGXJHYIAZUNV-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1cccc(NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000394687600 268270254 /nfs/dbraw/zinc/27/02/54/268270254.db2.gz HTOVZDMZDZHYFH-GFCCVEGCSA-N 1 2 287.323 0.878 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408430706 290245975 /nfs/dbraw/zinc/24/59/75/290245975.db2.gz XFWXFIIANRMGPE-ZWNOBZJWSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408430706 290245976 /nfs/dbraw/zinc/24/59/76/290245976.db2.gz XFWXFIIANRMGPE-ZWNOBZJWSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329622250 297130039 /nfs/dbraw/zinc/13/00/39/297130039.db2.gz RSURTIUTVSGXOT-MROQNXINSA-N 1 2 283.372 0.340 20 30 CCEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000567995651 328001597 /nfs/dbraw/zinc/00/15/97/328001597.db2.gz QZWNIUDXHMOYQP-CYBMUJFWSA-N 1 2 262.313 0.664 20 30 CCEDLO C[C@@H](CC(=O)N1CCN(C(=O)CC#N)CC1)n1cc[nH+]c1 ZINC000563333067 328055865 /nfs/dbraw/zinc/05/58/65/328055865.db2.gz DQLYXNCLMWOIMB-LBPRGKRZSA-N 1 2 289.339 0.419 20 30 CCEDLO COC(=O)c1cnoc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000285134705 328247365 /nfs/dbraw/zinc/24/73/65/328247365.db2.gz KTPBCGARXIJMMI-QMMMGPOBSA-N 1 2 269.257 0.429 20 30 CCEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000293338616 328275324 /nfs/dbraw/zinc/27/53/24/328275324.db2.gz ZLLSKCZYDSUCJF-UHFFFAOYSA-N 1 2 288.307 0.957 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C#N ZINC000330994770 328472007 /nfs/dbraw/zinc/47/20/07/328472007.db2.gz ZFAJFJZRDJTFGC-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCOC2)CC1 ZINC000283496428 328514239 /nfs/dbraw/zinc/51/42/39/328514239.db2.gz VAUMASKFVAQTGX-CQSZACIVSA-N 1 2 289.383 0.378 20 30 CCEDLO Cc1cnn(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000565718819 326998563 /nfs/dbraw/zinc/99/85/63/326998563.db2.gz FIYUIZFETYZYNK-ZDUSSCGKSA-N 1 2 263.345 0.542 20 30 CCEDLO N#CC1(CN2CC[N@H+](CC3(C#N)CC3)CC(O)C2)CC1 ZINC000408112307 327030646 /nfs/dbraw/zinc/03/06/46/327030646.db2.gz LVBPUCNLYGBCHY-UHFFFAOYSA-N 1 2 274.368 0.572 20 30 CCEDLO N#CC1(CN2CC[N@@H+](CC3(C#N)CC3)CC(O)C2)CC1 ZINC000408112307 327030647 /nfs/dbraw/zinc/03/06/47/327030647.db2.gz LVBPUCNLYGBCHY-UHFFFAOYSA-N 1 2 274.368 0.572 20 30 CCEDLO CC(=O)Nc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000565052096 327423538 /nfs/dbraw/zinc/42/35/38/327423538.db2.gz UYWCHBNZVXOPDY-LBPRGKRZSA-N 1 2 295.368 0.675 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCOCC1 ZINC000570454229 327592981 /nfs/dbraw/zinc/59/29/81/327592981.db2.gz BPXFPGCSMICHIP-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000358316979 328881783 /nfs/dbraw/zinc/88/17/83/328881783.db2.gz JJSXJVHRMUTINK-WDEREUQCSA-N 1 2 263.301 0.206 20 30 CCEDLO COC(=O)CN(CC#N)Cc1cn2ccccc2[nH+]1 ZINC000177619014 329188408 /nfs/dbraw/zinc/18/84/08/329188408.db2.gz ZOYUDJFCFBJFEE-UHFFFAOYSA-N 1 2 258.281 0.833 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000181425712 329236431 /nfs/dbraw/zinc/23/64/31/329236431.db2.gz ZGQCHGCNRDRFDW-ZDUSSCGKSA-N 1 2 268.405 0.840 20 30 CCEDLO C=CC[N@@H+](CC(=O)NC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000063297829 329378322 /nfs/dbraw/zinc/37/83/22/329378322.db2.gz MGNQDCDNROIRAG-UHFFFAOYSA-N 1 2 292.295 0.778 20 30 CCEDLO C=CC[N@H+](CC(=O)NC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000063297829 329378324 /nfs/dbraw/zinc/37/83/24/329378324.db2.gz MGNQDCDNROIRAG-UHFFFAOYSA-N 1 2 292.295 0.778 20 30 CCEDLO CCCN1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000189406181 329381807 /nfs/dbraw/zinc/38/18/07/329381807.db2.gz PUOICESCOWPUOA-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO CCCN1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000189406181 329381809 /nfs/dbraw/zinc/38/18/09/329381809.db2.gz PUOICESCOWPUOA-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(C#N)c1 ZINC000583755925 329474082 /nfs/dbraw/zinc/47/40/82/329474082.db2.gz JBBUVGKGGNMGNF-CYBMUJFWSA-N 1 2 257.297 0.527 20 30 CCEDLO CC(C)COCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000571892298 329928582 /nfs/dbraw/zinc/92/85/82/329928582.db2.gz GCDDRUXWKZHMRW-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)C1CC1 ZINC000274155754 330103536 /nfs/dbraw/zinc/10/35/36/330103536.db2.gz LMEDMHNTXJUAKE-CYBMUJFWSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)C1CC1 ZINC000274155754 330103537 /nfs/dbraw/zinc/10/35/37/330103537.db2.gz LMEDMHNTXJUAKE-CYBMUJFWSA-N 1 2 291.395 0.601 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501381 330318164 /nfs/dbraw/zinc/31/81/64/330318164.db2.gz FQDSKSKPLFEDJW-WDEREUQCSA-N 1 2 291.355 0.744 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501381 330318165 /nfs/dbraw/zinc/31/81/65/330318165.db2.gz FQDSKSKPLFEDJW-WDEREUQCSA-N 1 2 291.355 0.744 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)CC1 ZINC000116867138 330360874 /nfs/dbraw/zinc/36/08/74/330360874.db2.gz LLAFXWJOSPJYIW-INIZCTEOSA-N 1 2 291.395 0.616 20 30 CCEDLO C=CC[C@@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000450433308 330979246 /nfs/dbraw/zinc/97/92/46/330979246.db2.gz AFPSIFHIRLIBEG-JTQLQIEISA-N 1 2 258.325 0.864 20 30 CCEDLO C=CCOCC[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451749155 331041086 /nfs/dbraw/zinc/04/10/86/331041086.db2.gz KZNJIROPTSLDOO-UHFFFAOYSA-N 1 2 265.313 0.757 20 30 CCEDLO C=CCOCC[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451749155 331041087 /nfs/dbraw/zinc/04/10/87/331041087.db2.gz KZNJIROPTSLDOO-UHFFFAOYSA-N 1 2 265.313 0.757 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000490913189 332128361 /nfs/dbraw/zinc/12/83/61/332128361.db2.gz CHLRHCISQKHHNB-HNNXBMFYSA-N 1 2 293.411 0.121 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000490913189 332128362 /nfs/dbraw/zinc/12/83/62/332128362.db2.gz CHLRHCISQKHHNB-HNNXBMFYSA-N 1 2 293.411 0.121 20 30 CCEDLO C#CC[N@@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491146966 332156261 /nfs/dbraw/zinc/15/62/61/332156261.db2.gz PRONEQUSTOCTQL-GFCCVEGCSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491146966 332156264 /nfs/dbraw/zinc/15/62/64/332156264.db2.gz PRONEQUSTOCTQL-GFCCVEGCSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000491146918 332156387 /nfs/dbraw/zinc/15/63/87/332156387.db2.gz PNUFDKDVKFSQRI-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000491146918 332156388 /nfs/dbraw/zinc/15/63/88/332156388.db2.gz PNUFDKDVKFSQRI-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000491203273 332165372 /nfs/dbraw/zinc/16/53/72/332165372.db2.gz USNFXHQACPDIJZ-UHFFFAOYSA-N 1 2 288.347 0.801 20 30 CCEDLO C#CCNC(=O)CC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000491203273 332165374 /nfs/dbraw/zinc/16/53/74/332165374.db2.gz USNFXHQACPDIJZ-UHFFFAOYSA-N 1 2 288.347 0.801 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)C1CC1 ZINC000491229353 332169827 /nfs/dbraw/zinc/16/98/27/332169827.db2.gz GQPLFLVXBMQSSC-UHFFFAOYSA-N 1 2 278.352 0.450 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)C1CC1 ZINC000491229353 332169829 /nfs/dbraw/zinc/16/98/29/332169829.db2.gz GQPLFLVXBMQSSC-UHFFFAOYSA-N 1 2 278.352 0.450 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)CSC)n1 ZINC000491460851 332215530 /nfs/dbraw/zinc/21/55/30/332215530.db2.gz BEYMNWIMMMEVSK-AWEZNQCLSA-N 1 2 297.424 0.689 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)CSC)n1 ZINC000491460851 332215531 /nfs/dbraw/zinc/21/55/31/332215531.db2.gz BEYMNWIMMMEVSK-AWEZNQCLSA-N 1 2 297.424 0.689 20 30 CCEDLO C#C[C@H](C)N(C)C(=S)NCC[NH+]1CCOCC1 ZINC000491569011 332240214 /nfs/dbraw/zinc/24/02/14/332240214.db2.gz TXNVOECIAMHRNB-NSHDSACASA-N 1 2 255.387 0.147 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000491635437 332256577 /nfs/dbraw/zinc/25/65/77/332256577.db2.gz VAFPUIFOZXPNFY-GXFFZTMASA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000491635437 332256578 /nfs/dbraw/zinc/25/65/78/332256578.db2.gz VAFPUIFOZXPNFY-GXFFZTMASA-N 1 2 251.330 0.864 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](CC)CC#N)CC1 ZINC000491667863 332275912 /nfs/dbraw/zinc/27/59/12/332275912.db2.gz XYCZTCLAZDCPBN-ZDUSSCGKSA-N 1 2 262.357 0.046 20 30 CCEDLO C#CCN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491714907 332305225 /nfs/dbraw/zinc/30/52/25/332305225.db2.gz OEJROPLCJVDHAL-ZDUSSCGKSA-N 1 2 290.367 0.575 20 30 CCEDLO C#CCN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491714907 332305226 /nfs/dbraw/zinc/30/52/26/332305226.db2.gz OEJROPLCJVDHAL-ZDUSSCGKSA-N 1 2 290.367 0.575 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491735964 332316343 /nfs/dbraw/zinc/31/63/43/332316343.db2.gz ULWJUUJETIHTHG-ZDUSSCGKSA-N 1 2 284.319 0.878 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491744379 332322259 /nfs/dbraw/zinc/32/22/59/332322259.db2.gz ZCQYJLWKAUEGBB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491744379 332322260 /nfs/dbraw/zinc/32/22/60/332322260.db2.gz ZCQYJLWKAUEGBB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO COC(=O)N(C)CCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496549963 332553019 /nfs/dbraw/zinc/55/30/19/332553019.db2.gz NMSOPDUQEMXWPV-CYBMUJFWSA-N 1 2 284.360 0.425 20 30 CCEDLO CC(C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000554716779 334448064 /nfs/dbraw/zinc/44/80/64/334448064.db2.gz YJVGWUQIVIYNAG-UHFFFAOYSA-N 1 2 256.269 0.694 20 30 CCEDLO C=CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000575822071 335119195 /nfs/dbraw/zinc/11/91/95/335119195.db2.gz OBHHNEWUCUGAJT-UHFFFAOYSA-N 1 2 259.309 0.738 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000187082888 333167792 /nfs/dbraw/zinc/16/77/92/333167792.db2.gz PLRFXZFYPSVNLM-UHFFFAOYSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000187082888 333167793 /nfs/dbraw/zinc/16/77/93/333167793.db2.gz PLRFXZFYPSVNLM-UHFFFAOYSA-N 1 2 255.362 0.925 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000192233256 333233008 /nfs/dbraw/zinc/23/30/08/333233008.db2.gz REPKTMBBBGOPHJ-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000192233256 333233009 /nfs/dbraw/zinc/23/30/09/333233009.db2.gz REPKTMBBBGOPHJ-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000192231009 333233209 /nfs/dbraw/zinc/23/32/09/333233209.db2.gz VEFYWKFFERUQCU-UHFFFAOYSA-N 1 2 295.289 0.585 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000192231009 333233211 /nfs/dbraw/zinc/23/32/11/333233211.db2.gz VEFYWKFFERUQCU-UHFFFAOYSA-N 1 2 295.289 0.585 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CSCC#N)CCO1 ZINC000523437916 333326878 /nfs/dbraw/zinc/32/68/78/333326878.db2.gz UKJUJVPHWGGASY-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSCC#N)CCO1 ZINC000523437916 333326880 /nfs/dbraw/zinc/32/68/80/333326880.db2.gz UKJUJVPHWGGASY-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 ZINC000123327205 333458016 /nfs/dbraw/zinc/45/80/16/333458016.db2.gz JQQSWPSTUSEHKF-OAHLLOKOSA-N 1 2 292.383 0.161 20 30 CCEDLO N#CCCCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542982587 333851724 /nfs/dbraw/zinc/85/17/24/333851724.db2.gz QHFYASXRJOJQSQ-UHFFFAOYSA-N 1 2 268.342 0.763 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000565942742 334610428 /nfs/dbraw/zinc/61/04/28/334610428.db2.gz CARGWTVZJXEHPJ-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO CN(C(=O)C[NH+]1CC(C)(C(N)=O)C1)C1(C#N)CCCCC1 ZINC000566174587 334631930 /nfs/dbraw/zinc/63/19/30/334631930.db2.gz USDZGUWMOOVITL-UHFFFAOYSA-N 1 2 292.383 0.478 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000576394527 335198010 /nfs/dbraw/zinc/19/80/10/335198010.db2.gz VDCYNLYLDROGHO-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000576394527 335198012 /nfs/dbraw/zinc/19/80/12/335198012.db2.gz VDCYNLYLDROGHO-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000577709513 335391036 /nfs/dbraw/zinc/39/10/36/335391036.db2.gz CCNCBSODKSFNLC-NEPJUHHUSA-N 1 2 264.329 0.916 20 30 CCEDLO CC(C)(C)OC(=O)CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000579124721 335713210 /nfs/dbraw/zinc/71/32/10/335713210.db2.gz QRFWGGXUIPMVQR-UHFFFAOYSA-N 1 2 281.356 0.776 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCc1cccnc1 ZINC000580896438 335981275 /nfs/dbraw/zinc/98/12/75/335981275.db2.gz WQEBWFSXQSJUHV-AWEZNQCLSA-N 1 2 276.340 0.558 20 30 CCEDLO COC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000387386264 336193395 /nfs/dbraw/zinc/19/33/95/336193395.db2.gz ZJUXVKGLKVTGKI-CQSZACIVSA-N 1 2 289.335 0.976 20 30 CCEDLO COC(=O)Cn1cc(CNc2cc(C)[nH+]cc2C#N)nn1 ZINC000425239295 533804301 /nfs/dbraw/zinc/80/43/01/533804301.db2.gz NSFLMXMKEMTLET-UHFFFAOYSA-N 1 2 286.295 0.060 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000347210816 534025717 /nfs/dbraw/zinc/02/57/17/534025717.db2.gz UYJTUPWHPCUWJA-MNOVXSKESA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000347210816 534025721 /nfs/dbraw/zinc/02/57/21/534025721.db2.gz UYJTUPWHPCUWJA-MNOVXSKESA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330267460 534183825 /nfs/dbraw/zinc/18/38/25/534183825.db2.gz ICNQRFKCCDRSOK-RISCZKNCSA-N 1 2 278.356 0.959 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000184047129 524085213 /nfs/dbraw/zinc/08/52/13/524085213.db2.gz LVEGXWLQBBTANS-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000184047129 524085217 /nfs/dbraw/zinc/08/52/17/524085217.db2.gz LVEGXWLQBBTANS-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184726114 524278259 /nfs/dbraw/zinc/27/82/59/524278259.db2.gz BNQILRSOKVQZIO-CYZMBNFOSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184726114 524278275 /nfs/dbraw/zinc/27/82/75/524278275.db2.gz BNQILRSOKVQZIO-CYZMBNFOSA-N 1 2 289.335 0.313 20 30 CCEDLO C=CCCOCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666012817 545111204 /nfs/dbraw/zinc/11/12/04/545111204.db2.gz VBAUCUMBDHWEBJ-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnccc2C)CC1 ZINC000353379323 526539117 /nfs/dbraw/zinc/53/91/17/526539117.db2.gz IYAIFSWZZPOPDZ-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2conc2CC)CC1 ZINC000350438911 526539218 /nfs/dbraw/zinc/53/92/18/526539218.db2.gz LPVNGOZJURBRLN-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000353637381 526597041 /nfs/dbraw/zinc/59/70/41/526597041.db2.gz PRLMNILXGBFTDZ-SSDOTTSWSA-N 1 2 283.357 0.509 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331573429 526604191 /nfs/dbraw/zinc/60/41/91/526604191.db2.gz ZZXVGEATADMQKK-ZYHUDNBSSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331573429 526604198 /nfs/dbraw/zinc/60/41/98/526604198.db2.gz ZZXVGEATADMQKK-ZYHUDNBSSA-N 1 2 281.356 0.498 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000163672294 526617239 /nfs/dbraw/zinc/61/72/39/526617239.db2.gz GZRYKZPWIIEYOX-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000163672294 526617242 /nfs/dbraw/zinc/61/72/42/526617242.db2.gz GZRYKZPWIIEYOX-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO C=CCOCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353322199 526695998 /nfs/dbraw/zinc/69/59/98/526695998.db2.gz JKGIVZURNOCXGV-UHFFFAOYSA-N 1 2 276.340 0.636 20 30 CCEDLO C=C[C@@](C)(O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000668493366 545179189 /nfs/dbraw/zinc/17/91/89/545179189.db2.gz NJSBCDXZYQBWIV-CQSZACIVSA-N 1 2 294.355 0.091 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000357135996 535854897 /nfs/dbraw/zinc/85/48/97/535854897.db2.gz AUXYVQZFGVWRFV-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000357135996 535854901 /nfs/dbraw/zinc/85/49/01/535854901.db2.gz AUXYVQZFGVWRFV-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884729 545375372 /nfs/dbraw/zinc/37/53/72/545375372.db2.gz SNODPAIZVQVOHM-CYBMUJFWSA-N 1 2 281.400 0.986 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884729 545375373 /nfs/dbraw/zinc/37/53/73/545375373.db2.gz SNODPAIZVQVOHM-CYBMUJFWSA-N 1 2 281.400 0.986 20 30 CCEDLO CNC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268638439 536317703 /nfs/dbraw/zinc/31/77/03/536317703.db2.gz GRHRARVPDUNWNJ-AWEZNQCLSA-N 1 2 288.351 0.549 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000678800233 545397802 /nfs/dbraw/zinc/39/78/02/545397802.db2.gz FADUEUAHHGKPJT-GFCCVEGCSA-N 1 2 251.330 0.964 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000679490883 545410288 /nfs/dbraw/zinc/41/02/88/545410288.db2.gz ADWPSLPBBDPMJC-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000679490883 545410289 /nfs/dbraw/zinc/41/02/89/545410289.db2.gz ADWPSLPBBDPMJC-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO COc1cc[nH+]cc1Cn1c(N)nc(C#N)c1C#N ZINC000343813132 537120911 /nfs/dbraw/zinc/12/09/11/537120911.db2.gz OWERGVYOXRYEPG-UHFFFAOYSA-N 1 2 254.253 0.491 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000781560860 581135709 /nfs/dbraw/zinc/13/57/09/581135709.db2.gz IIADWZLIYNGJAY-UKRRQHHQSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000781560860 581135711 /nfs/dbraw/zinc/13/57/11/581135711.db2.gz IIADWZLIYNGJAY-UKRRQHHQSA-N 1 2 294.399 0.593 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790363066 581185299 /nfs/dbraw/zinc/18/52/99/581185299.db2.gz QWUUVPAWBURVPI-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790363066 581185301 /nfs/dbraw/zinc/18/53/01/581185301.db2.gz QWUUVPAWBURVPI-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(O)ccc2[N+](=O)[O-])N1 ZINC000779803325 581207439 /nfs/dbraw/zinc/20/74/39/581207439.db2.gz OVNKVRCNYBFJFD-ZETCQYMHSA-N 1 2 263.257 0.572 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000780849951 581246362 /nfs/dbraw/zinc/24/63/62/581246362.db2.gz RZSJWZSBHYOZCQ-AWEZNQCLSA-N 1 2 284.319 0.995 20 30 CCEDLO CCOc1ccc(/C=[NH+]/CCN2CCNC(=O)C2)c(O)c1 ZINC000781101454 581259211 /nfs/dbraw/zinc/25/92/11/581259211.db2.gz SVSWBZJYFURZAR-MHWRWJLKSA-N 1 2 291.351 0.642 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000781932597 581281211 /nfs/dbraw/zinc/28/12/11/581281211.db2.gz ANAXVFJCZZOMFD-MNOVXSKESA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000781932597 581281213 /nfs/dbraw/zinc/28/12/13/581281213.db2.gz ANAXVFJCZZOMFD-MNOVXSKESA-N 1 2 254.334 0.166 20 30 CCEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000793592337 581295154 /nfs/dbraw/zinc/29/51/54/581295154.db2.gz KKIJHEIHOLXSPX-UHFFFAOYSA-N 1 2 288.347 0.335 20 30 CCEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000794574456 581377194 /nfs/dbraw/zinc/37/71/94/581377194.db2.gz IOCXKLCKUUAPCI-UHFFFAOYSA-N 1 2 259.313 0.913 20 30 CCEDLO C#CC(C)(C)[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000794574456 581377196 /nfs/dbraw/zinc/37/71/96/581377196.db2.gz IOCXKLCKUUAPCI-UHFFFAOYSA-N 1 2 259.313 0.913 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC000785367563 581406447 /nfs/dbraw/zinc/40/64/47/581406447.db2.gz SLJSTBMIOHECHO-UHFFFAOYSA-N 1 2 274.368 0.475 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)[C@@H]1C ZINC000787245772 581462532 /nfs/dbraw/zinc/46/25/32/581462532.db2.gz PBMYCWBTFNBPRT-NEPJUHHUSA-N 1 2 289.335 0.869 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)[C@@H]1C ZINC000787245772 581462533 /nfs/dbraw/zinc/46/25/33/581462533.db2.gz PBMYCWBTFNBPRT-NEPJUHHUSA-N 1 2 289.335 0.869 20 30 CCEDLO C[C@@H](C(=O)NC1=NO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000765384214 581510747 /nfs/dbraw/zinc/51/07/47/581510747.db2.gz MOEGFDRHSNZPJA-IUCAKERBSA-N 1 2 257.359 0.662 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=NC1=NC(=O)C(=O)N1 ZINC000765591486 581527380 /nfs/dbraw/zinc/52/73/80/581527380.db2.gz NWBMYOWVAWEFQK-SNVBAGLBSA-N 1 2 299.334 0.096 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=NC1=NC(=O)C(=O)N1 ZINC000765591486 581527382 /nfs/dbraw/zinc/52/73/82/581527382.db2.gz NWBMYOWVAWEFQK-SNVBAGLBSA-N 1 2 299.334 0.096 20 30 CCEDLO N#CC1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000766240271 581557925 /nfs/dbraw/zinc/55/79/25/581557925.db2.gz ZTBCNPUTHSXWRP-AWEZNQCLSA-N 1 2 277.368 0.859 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[S@](C)=O ZINC000766729292 581578788 /nfs/dbraw/zinc/57/87/88/581578788.db2.gz DLOAYDPTMUKLCP-PZROIBLQSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(CCCOC)n1 ZINC000734830696 581590681 /nfs/dbraw/zinc/59/06/81/581590681.db2.gz ZCHCFHAUROUZIH-ZDUSSCGKSA-N 1 2 290.367 0.956 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CCCOC)n1 ZINC000734830696 581590682 /nfs/dbraw/zinc/59/06/82/581590682.db2.gz ZCHCFHAUROUZIH-ZDUSSCGKSA-N 1 2 290.367 0.956 20 30 CCEDLO COc1nc(N(C)C)sc1C=[NH+]N1CCOCC1 ZINC000767056275 581594245 /nfs/dbraw/zinc/59/42/45/581594245.db2.gz OGAHZHGEQBDXGM-UHFFFAOYSA-N 1 2 270.358 0.884 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000735185344 581629277 /nfs/dbraw/zinc/62/92/77/581629277.db2.gz KQBDBLHZLBMXPU-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000735185344 581629280 /nfs/dbraw/zinc/62/92/80/581629280.db2.gz KQBDBLHZLBMXPU-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000730097373 581645751 /nfs/dbraw/zinc/64/57/51/581645751.db2.gz SGPFTPKPUSJVBP-AWEZNQCLSA-N 1 2 285.347 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000730097373 581645752 /nfs/dbraw/zinc/64/57/52/581645752.db2.gz SGPFTPKPUSJVBP-AWEZNQCLSA-N 1 2 285.347 0.751 20 30 CCEDLO N#CC1CC[NH+](CN2C[C@]3(CCOC3)CC2=O)CC1 ZINC000756851318 581681500 /nfs/dbraw/zinc/68/15/00/581681500.db2.gz ARZDINUPUHWARG-AWEZNQCLSA-N 1 2 263.341 0.818 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000730275808 581688765 /nfs/dbraw/zinc/68/87/65/581688765.db2.gz ZBSBYKZYVZYSLW-NSHDSACASA-N 1 2 274.324 0.160 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000730275808 581688769 /nfs/dbraw/zinc/68/87/69/581688769.db2.gz ZBSBYKZYVZYSLW-NSHDSACASA-N 1 2 274.324 0.160 20 30 CCEDLO C#CCNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000758191017 581725445 /nfs/dbraw/zinc/72/54/45/581725445.db2.gz KUGPPMOKKPHBFS-UHFFFAOYSA-N 1 2 262.382 0.859 20 30 CCEDLO COC(=O)[C@]1(C)CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235887 581730381 /nfs/dbraw/zinc/73/03/81/581730381.db2.gz LAOBIXWTAINAOK-CQSZACIVSA-N 1 2 275.308 0.562 20 30 CCEDLO COC(=O)[C@]1(C)CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235887 581730384 /nfs/dbraw/zinc/73/03/84/581730384.db2.gz LAOBIXWTAINAOK-CQSZACIVSA-N 1 2 275.308 0.562 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741146648 581732918 /nfs/dbraw/zinc/73/29/18/581732918.db2.gz OMOBGAACUJYXIE-GHMZBOCLSA-N 1 2 254.330 0.705 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741146648 581732920 /nfs/dbraw/zinc/73/29/20/581732920.db2.gz OMOBGAACUJYXIE-GHMZBOCLSA-N 1 2 254.330 0.705 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731843742 581783478 /nfs/dbraw/zinc/78/34/78/581783478.db2.gz WTXZLHNYHWVGTL-WCBMZHEXSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731843742 581783480 /nfs/dbraw/zinc/78/34/80/581783480.db2.gz WTXZLHNYHWVGTL-WCBMZHEXSA-N 1 2 264.247 0.123 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000771144786 581793663 /nfs/dbraw/zinc/79/36/63/581793663.db2.gz IBJYUPJTYYLNGK-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000744425334 581842035 /nfs/dbraw/zinc/84/20/35/581842035.db2.gz IDCAMQHVPVUQIW-UHFFFAOYSA-N 1 2 274.368 0.935 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000760958732 581881219 /nfs/dbraw/zinc/88/12/19/581881219.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000760958732 581881220 /nfs/dbraw/zinc/88/12/20/581881220.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760958732 581881221 /nfs/dbraw/zinc/88/12/21/581881221.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760958732 581881222 /nfs/dbraw/zinc/88/12/22/581881222.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760958732 581881223 /nfs/dbraw/zinc/88/12/23/581881223.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760958732 581881224 /nfs/dbraw/zinc/88/12/24/581881224.db2.gz ARUHBAICFAEHGO-LLVKDONJSA-N 1 2 261.329 0.042 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(COC)C1=O)C(C)C ZINC000733293409 581898500 /nfs/dbraw/zinc/89/85/00/581898500.db2.gz NGYZLMUIGMVQJK-ZDUSSCGKSA-N 1 2 269.345 0.797 20 30 CCEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(COC)C1=O)C(C)C ZINC000733293409 581898502 /nfs/dbraw/zinc/89/85/02/581898502.db2.gz NGYZLMUIGMVQJK-ZDUSSCGKSA-N 1 2 269.345 0.797 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@H+](CC3(CO)COC3)CCO2)c1 ZINC000761763546 581919528 /nfs/dbraw/zinc/91/95/28/581919528.db2.gz SJJUZXJNMLPHCY-OAHLLOKOSA-N 1 2 288.347 0.940 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@@H+](CC3(CO)COC3)CCO2)c1 ZINC000761763546 581919531 /nfs/dbraw/zinc/91/95/31/581919531.db2.gz SJJUZXJNMLPHCY-OAHLLOKOSA-N 1 2 288.347 0.940 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1CC(O)(C(C)C)C1 ZINC000773895268 581945796 /nfs/dbraw/zinc/94/57/96/581945796.db2.gz HMDCMTJGGIWZGW-UHFFFAOYSA-N 1 2 253.346 0.451 20 30 CCEDLO CON=CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000773959467 581949403 /nfs/dbraw/zinc/94/94/03/581949403.db2.gz WUOHMCYAYHUANA-GFCCVEGCSA-N 1 2 269.345 0.332 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000748320024 581968348 /nfs/dbraw/zinc/96/83/48/581968348.db2.gz FWCQGASWXMWDAG-HXUWFJFHSA-N 1 2 294.380 0.023 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CCn3cc[nH+]c3C2)c1N ZINC000749223519 582000061 /nfs/dbraw/zinc/00/00/61/582000061.db2.gz ZPRCOMMJXGRAPD-QMMMGPOBSA-N 1 2 256.269 0.436 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COC)C1CC1 ZINC000750163592 582036632 /nfs/dbraw/zinc/03/66/32/582036632.db2.gz AJYDROCCULRNAQ-STQMWFEESA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)C1CC1 ZINC000750163592 582036635 /nfs/dbraw/zinc/03/66/35/582036635.db2.gz AJYDROCCULRNAQ-STQMWFEESA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000775792819 582038820 /nfs/dbraw/zinc/03/88/20/582038820.db2.gz SZBNWGPDMJOQTN-KBPBESRZSA-N 1 2 283.335 0.933 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000775800096 582040345 /nfs/dbraw/zinc/04/03/45/582040345.db2.gz QTLSDMNFBQQDOC-MNOVXSKESA-N 1 2 287.323 0.339 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H]1CCCO1 ZINC000776129774 582053492 /nfs/dbraw/zinc/05/34/92/582053492.db2.gz WBTDHPADIOHUOX-HZSPNIEDSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H]1CCCO1 ZINC000776129774 582053495 /nfs/dbraw/zinc/05/34/95/582053495.db2.gz WBTDHPADIOHUOX-HZSPNIEDSA-N 1 2 295.383 0.187 20 30 CCEDLO C[C@H]1C[N@H+](CC/N=C/c2ccc(O)c(O)c2O)CCO1 ZINC000750950433 582065833 /nfs/dbraw/zinc/06/58/33/582065833.db2.gz VHEZJQQYLMZBGL-CYANDVJASA-N 1 2 280.324 0.943 20 30 CCEDLO C[C@H]1C[N@@H+](CC/N=C/c2ccc(O)c(O)c2O)CCO1 ZINC000750950433 582065834 /nfs/dbraw/zinc/06/58/34/582065834.db2.gz VHEZJQQYLMZBGL-CYANDVJASA-N 1 2 280.324 0.943 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957780241 613235684 /nfs/dbraw/zinc/23/56/84/613235684.db2.gz NQIFUPYFVCCOLX-UWVGGRQHSA-N 1 2 277.162 0.324 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957780241 613235686 /nfs/dbraw/zinc/23/56/86/613235686.db2.gz NQIFUPYFVCCOLX-UWVGGRQHSA-N 1 2 277.162 0.324 20 30 CCEDLO C#CCOCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972680 612981729 /nfs/dbraw/zinc/98/17/29/612981729.db2.gz GBHBFQFTBARYQB-KGLIPLIRSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972680 612981731 /nfs/dbraw/zinc/98/17/31/612981731.db2.gz GBHBFQFTBARYQB-KGLIPLIRSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000822955789 613001362 /nfs/dbraw/zinc/00/13/62/613001362.db2.gz HRBCVJLHFBRCBM-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000822955789 613001365 /nfs/dbraw/zinc/00/13/65/613001365.db2.gz HRBCVJLHFBRCBM-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CC1(F)CN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000919956978 612946159 /nfs/dbraw/zinc/94/61/59/612946159.db2.gz XQGQCIMXZYJTGA-XYOKQWHBSA-N 1 2 266.316 0.449 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000898666042 613011973 /nfs/dbraw/zinc/01/19/73/613011973.db2.gz MYFBRBWOKGKWTN-NEPJUHHUSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000898666042 613011975 /nfs/dbraw/zinc/01/19/75/613011975.db2.gz MYFBRBWOKGKWTN-NEPJUHHUSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000853774753 613016913 /nfs/dbraw/zinc/01/69/13/613016913.db2.gz NJPYLQBZECXNNY-CHWSQXEVSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000853774753 613016915 /nfs/dbraw/zinc/01/69/15/613016915.db2.gz NJPYLQBZECXNNY-CHWSQXEVSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875195013 613020595 /nfs/dbraw/zinc/02/05/95/613020595.db2.gz ODYNPUMJODDMGL-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875195013 613020597 /nfs/dbraw/zinc/02/05/97/613020597.db2.gz ODYNPUMJODDMGL-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000827377994 617179841 /nfs/dbraw/zinc/17/98/41/617179841.db2.gz JTUYUZNINJRYIV-DGCLKSJQSA-N 1 2 278.377 0.935 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000827377994 617179842 /nfs/dbraw/zinc/17/98/42/617179842.db2.gz JTUYUZNINJRYIV-DGCLKSJQSA-N 1 2 278.377 0.935 20 30 CCEDLO C#CCCOC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000858914894 613050230 /nfs/dbraw/zinc/05/02/30/613050230.db2.gz FUEUDVPXWOCYKH-AWEZNQCLSA-N 1 2 298.408 0.944 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000922779649 613055306 /nfs/dbraw/zinc/05/53/06/613055306.db2.gz YIYKQIRZBLMSLO-CYBMUJFWSA-N 1 2 261.325 0.882 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OCC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000859188422 613107989 /nfs/dbraw/zinc/10/79/89/613107989.db2.gz OOQUXOLOJUAJCX-ZIAGYGMSSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@H](OCC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000859188422 613107990 /nfs/dbraw/zinc/10/79/90/613107990.db2.gz OOQUXOLOJUAJCX-ZIAGYGMSSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000807685942 612967732 /nfs/dbraw/zinc/96/77/32/612967732.db2.gz UUAZXDFLZPWWPA-ZDUSSCGKSA-N 1 2 255.321 0.977 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000828956052 614325484 /nfs/dbraw/zinc/32/54/84/614325484.db2.gz RWCNTBCAEMPOCW-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(OC)C2=O)cc1 ZINC000902213150 617236978 /nfs/dbraw/zinc/23/69/78/617236978.db2.gz MAHMDLUYBMBPJG-LLVKDONJSA-N 1 2 279.296 0.494 20 30 CCEDLO COc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000830417114 617270907 /nfs/dbraw/zinc/27/09/07/617270907.db2.gz QCSLLDRKYQEYDQ-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000830417114 617270910 /nfs/dbraw/zinc/27/09/10/617270910.db2.gz QCSLLDRKYQEYDQ-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000806918331 612979028 /nfs/dbraw/zinc/97/90/28/612979028.db2.gz YOJDLYMDTPIFNN-UHFFFAOYSA-N 1 2 288.351 0.576 20 30 CCEDLO C#CCOCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934270487 612982934 /nfs/dbraw/zinc/98/29/34/612982934.db2.gz RZXXAKFJJSZVOF-LLVKDONJSA-N 1 2 277.324 0.978 20 30 CCEDLO C#CCOCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934270487 612982935 /nfs/dbraw/zinc/98/29/35/612982935.db2.gz RZXXAKFJJSZVOF-LLVKDONJSA-N 1 2 277.324 0.978 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859600717 612984939 /nfs/dbraw/zinc/98/49/39/612984939.db2.gz IIOSTBOTEUGENK-VXGBXAGGSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCOCC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859600717 612984941 /nfs/dbraw/zinc/98/49/41/612984941.db2.gz IIOSTBOTEUGENK-VXGBXAGGSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCCn1cc[nH+]c1 ZINC000853015719 612987713 /nfs/dbraw/zinc/98/77/13/612987713.db2.gz CIUGZDCQQDOTNX-UHFFFAOYSA-N 1 2 264.329 0.564 20 30 CCEDLO C#CCOCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897373829 612988785 /nfs/dbraw/zinc/98/87/85/612988785.db2.gz WHFZKEYAWLFRTQ-ZDUSSCGKSA-N 1 2 276.340 0.556 20 30 CCEDLO C#CCOCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897373829 612988787 /nfs/dbraw/zinc/98/87/87/612988787.db2.gz WHFZKEYAWLFRTQ-ZDUSSCGKSA-N 1 2 276.340 0.556 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840285296 612990038 /nfs/dbraw/zinc/99/00/38/612990038.db2.gz DKXPXWJARSFCJE-QWHCGFSZSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840285296 612990039 /nfs/dbraw/zinc/99/00/39/612990039.db2.gz DKXPXWJARSFCJE-QWHCGFSZSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3ncnn32)C1 ZINC000950782399 612992473 /nfs/dbraw/zinc/99/24/73/612992473.db2.gz CRTRWDKEHVVBNE-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C)nc2OC)C1 ZINC000951127027 612992537 /nfs/dbraw/zinc/99/25/37/612992537.db2.gz ZEVUGDGAWWXWEK-UHFFFAOYSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3ccncc23)C1 ZINC000950518555 612992784 /nfs/dbraw/zinc/99/27/84/612992784.db2.gz OEAULSACZQJTDP-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnccn2)C1 ZINC000949594246 612993044 /nfs/dbraw/zinc/99/30/44/612993044.db2.gz HZZMZGUKRVQBMB-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000823051340 612994306 /nfs/dbraw/zinc/99/43/06/612994306.db2.gz YKIKFWRDVABHQB-NSHDSACASA-N 1 2 260.293 0.710 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nccnc2SC)CC1 ZINC000878423674 613011007 /nfs/dbraw/zinc/01/10/07/613011007.db2.gz IVPRUSCAEFVORW-UHFFFAOYSA-N 1 2 290.392 0.980 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000851873359 613011777 /nfs/dbraw/zinc/01/17/77/613011777.db2.gz VYNWPBZGADLTFA-LSDHHAIUSA-N 1 2 266.385 0.679 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000858533492 613020849 /nfs/dbraw/zinc/02/08/49/613020849.db2.gz SUXVSYBFXFTMHZ-LBPRGKRZSA-N 1 2 278.356 0.690 20 30 CCEDLO C#CC[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894854377 613043363 /nfs/dbraw/zinc/04/33/63/613043363.db2.gz IIQOLBOTMUVDAA-PRSXHHODSA-N 1 2 263.337 0.954 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859078591 613049255 /nfs/dbraw/zinc/04/92/55/613049255.db2.gz CNVKFQWHDBCVPB-LBPRGKRZSA-N 1 2 252.314 0.553 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000798352519 613061932 /nfs/dbraw/zinc/06/19/32/613061932.db2.gz LFHWJWKVCPTWSB-RYUDHWBXSA-N 1 2 264.329 0.345 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923487955 613064733 /nfs/dbraw/zinc/06/47/33/613064733.db2.gz JHPJOIDWZASBMM-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000863802364 613065378 /nfs/dbraw/zinc/06/53/78/613065378.db2.gz LAYXYKDBLAMOOC-VXGBXAGGSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CCn1cc(CNC(=O)/C=C\C[NH+]2CCOCC2)cn1 ZINC000867855161 613076601 /nfs/dbraw/zinc/07/66/01/613076601.db2.gz IFDRNKJNMBDEGN-ARJAWSKDSA-N 1 2 288.351 0.021 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H](F)C3)CC2)C1 ZINC000941536666 613115331 /nfs/dbraw/zinc/11/53/31/613115331.db2.gz AQVQBXVYVUJOPN-KGLIPLIRSA-N 1 2 293.386 0.586 20 30 CCEDLO C#C[C@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854775859 613125877 /nfs/dbraw/zinc/12/58/77/613125877.db2.gz UXSZKBNURGXYLP-CQSZACIVSA-N 1 2 283.331 0.584 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC000969895926 613126923 /nfs/dbraw/zinc/12/69/23/613126923.db2.gz FBBSZWLVOJPEPK-LBPRGKRZSA-N 1 2 287.363 0.377 20 30 CCEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCCO1 ZINC000847759312 613133445 /nfs/dbraw/zinc/13/34/45/613133445.db2.gz TUJVTHVFEALSQQ-NWDGAFQWSA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CCCO1 ZINC000838556166 613140134 /nfs/dbraw/zinc/14/01/34/613140134.db2.gz KWIVBWKZFLDTOJ-STQMWFEESA-N 1 2 276.340 0.443 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000847757890 613145452 /nfs/dbraw/zinc/14/54/52/613145452.db2.gz GARQSCOVXFRXIM-DRZSPHRISA-N 1 2 261.325 0.885 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000847757890 613145454 /nfs/dbraw/zinc/14/54/54/613145454.db2.gz GARQSCOVXFRXIM-DRZSPHRISA-N 1 2 261.325 0.885 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000982201351 613157660 /nfs/dbraw/zinc/15/76/60/613157660.db2.gz GZXMJXXJERNKDA-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000982201351 613157661 /nfs/dbraw/zinc/15/76/61/613157661.db2.gz GZXMJXXJERNKDA-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000864078800 613169506 /nfs/dbraw/zinc/16/95/06/613169506.db2.gz QPMFCCUEITVJMA-CQSZACIVSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000864078800 613169508 /nfs/dbraw/zinc/16/95/08/613169508.db2.gz QPMFCCUEITVJMA-CQSZACIVSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000803514396 613175379 /nfs/dbraw/zinc/17/53/79/613175379.db2.gz DKPVBRLMNYMAPS-ZFWWWQNUSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C1 ZINC000885511564 613176013 /nfs/dbraw/zinc/17/60/13/613176013.db2.gz JTCAICSGGXLPAN-QWHCGFSZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C1 ZINC000885511564 613176014 /nfs/dbraw/zinc/17/60/14/613176014.db2.gz JTCAICSGGXLPAN-QWHCGFSZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000923566469 613180706 /nfs/dbraw/zinc/18/07/06/613180706.db2.gz NOFAJGRLYUKDIP-NSHDSACASA-N 1 2 286.322 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000923566469 613180707 /nfs/dbraw/zinc/18/07/07/613180707.db2.gz NOFAJGRLYUKDIP-NSHDSACASA-N 1 2 286.322 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000885511720 613193353 /nfs/dbraw/zinc/19/33/53/613193353.db2.gz LVQNKTVDCPVFIB-RWMBFGLXSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000885511720 613193356 /nfs/dbraw/zinc/19/33/56/613193356.db2.gz LVQNKTVDCPVFIB-RWMBFGLXSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)(C1CC1)C1CC1 ZINC000855912959 613198844 /nfs/dbraw/zinc/19/88/44/613198844.db2.gz SGEIMXUOCOHTMF-AWEZNQCLSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)(C1CC1)C1CC1 ZINC000855912959 613198846 /nfs/dbraw/zinc/19/88/46/613198846.db2.gz SGEIMXUOCOHTMF-AWEZNQCLSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn(CC)n1 ZINC000862385465 613199791 /nfs/dbraw/zinc/19/97/91/613199791.db2.gz WIZGKWHMDVHCCV-LBPRGKRZSA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn(CC)n1 ZINC000862385465 613199793 /nfs/dbraw/zinc/19/97/93/613199793.db2.gz WIZGKWHMDVHCCV-LBPRGKRZSA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCC[C@H](OC)C1 ZINC000928411758 613200834 /nfs/dbraw/zinc/20/08/34/613200834.db2.gz YJKBMFSYNIAREC-STQMWFEESA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCC[C@H](OC)C1 ZINC000928411758 613200836 /nfs/dbraw/zinc/20/08/36/613200836.db2.gz YJKBMFSYNIAREC-STQMWFEESA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CSC[C@@H]1C ZINC000804505052 613201250 /nfs/dbraw/zinc/20/12/50/613201250.db2.gz XFLPJWOPGRYYEQ-TUAOUCFPSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CSC[C@@H]1C ZINC000804505052 613201252 /nfs/dbraw/zinc/20/12/52/613201252.db2.gz XFLPJWOPGRYYEQ-TUAOUCFPSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)[C@H](C)CCC ZINC000846368033 613201400 /nfs/dbraw/zinc/20/14/00/613201400.db2.gz PLAVYEUTHICRIY-RDBSUJKOSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)[C@H](C)CCC ZINC000846368033 613201401 /nfs/dbraw/zinc/20/14/01/613201401.db2.gz PLAVYEUTHICRIY-RDBSUJKOSA-N 1 2 266.385 0.997 20 30 CCEDLO C#Cc1cccnc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000853427239 613208089 /nfs/dbraw/zinc/20/80/89/613208089.db2.gz KMVQMPPUYSFCFB-AWEZNQCLSA-N 1 2 275.352 0.192 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(OCC)nc(C)n2)CC1 ZINC000853132300 613209934 /nfs/dbraw/zinc/20/99/34/613209934.db2.gz QQSRDYKZLZBDAN-UHFFFAOYSA-N 1 2 260.341 0.939 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269706 613212131 /nfs/dbraw/zinc/21/21/31/613212131.db2.gz QOGZOSKQXHQXGF-TZMCWYRMSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269706 613212133 /nfs/dbraw/zinc/21/21/33/613212133.db2.gz QOGZOSKQXHQXGF-TZMCWYRMSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972362794 613212842 /nfs/dbraw/zinc/21/28/42/613212842.db2.gz UIXUZQKXOXMBHI-GDBMZVCRSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972362794 613212843 /nfs/dbraw/zinc/21/28/43/613212843.db2.gz UIXUZQKXOXMBHI-GDBMZVCRSA-N 1 2 292.379 0.348 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000798166088 613213129 /nfs/dbraw/zinc/21/31/29/613213129.db2.gz PQYJNRSVNXQSMG-UHFFFAOYSA-N 1 2 255.321 0.983 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 ZINC000972465809 613213145 /nfs/dbraw/zinc/21/31/45/613213145.db2.gz LZIFJMMZOXTGBK-OAHLLOKOSA-N 1 2 291.326 0.704 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 ZINC000972465809 613213147 /nfs/dbraw/zinc/21/31/47/613213147.db2.gz LZIFJMMZOXTGBK-OAHLLOKOSA-N 1 2 291.326 0.704 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000806784151 613217056 /nfs/dbraw/zinc/21/70/56/613217056.db2.gz NVUPUEDMWLXFBX-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000806784151 613217058 /nfs/dbraw/zinc/21/70/58/613217058.db2.gz NVUPUEDMWLXFBX-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844394756 613236120 /nfs/dbraw/zinc/23/61/20/613236120.db2.gz XRBKNBSERHDHCU-DTWKUNHWSA-N 1 2 250.136 0.977 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844394756 613236122 /nfs/dbraw/zinc/23/61/22/613236122.db2.gz XRBKNBSERHDHCU-DTWKUNHWSA-N 1 2 250.136 0.977 20 30 CCEDLO C/C(=C/C(=O)Nc1cnn(CC#N)c1)C[NH+]1CCOCC1 ZINC000900440279 613240637 /nfs/dbraw/zinc/24/06/37/613240637.db2.gz RUXDWKZEZPVUOQ-WQLSENKSSA-N 1 2 289.339 0.624 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC000977581277 613298164 /nfs/dbraw/zinc/29/81/64/613298164.db2.gz VKAPATNQVSABLZ-ZDUSSCGKSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC000977581277 613298165 /nfs/dbraw/zinc/29/81/65/613298165.db2.gz VKAPATNQVSABLZ-ZDUSSCGKSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000815050556 613325459 /nfs/dbraw/zinc/32/54/59/613325459.db2.gz AMFZCFFWMYASBC-LBPRGKRZSA-N 1 2 262.309 0.792 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000815050556 613325461 /nfs/dbraw/zinc/32/54/61/613325461.db2.gz AMFZCFFWMYASBC-LBPRGKRZSA-N 1 2 262.309 0.792 20 30 CCEDLO C=C(C)CNC(=[NH2+])NCc1nnc([C@@H]2CCCO2)[nH]1 ZINC000849048479 613346466 /nfs/dbraw/zinc/34/64/66/613346466.db2.gz IAUMEUNUYFLFCK-VIFPVBQESA-N 1 2 264.333 0.846 20 30 CCEDLO C=C(C)CNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849288719 613346600 /nfs/dbraw/zinc/34/66/00/613346600.db2.gz DJKVKCNDVFEWFX-LBPRGKRZSA-N 1 2 269.414 0.844 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921480932 613352204 /nfs/dbraw/zinc/35/22/04/613352204.db2.gz WXQYIYNTXKFPDF-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000882892662 613355306 /nfs/dbraw/zinc/35/53/06/613355306.db2.gz BSJJBXXRCMLERI-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000883322022 613357537 /nfs/dbraw/zinc/35/75/37/613357537.db2.gz SHRWWWRCTAVMTM-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000883322022 613357538 /nfs/dbraw/zinc/35/75/38/613357538.db2.gz SHRWWWRCTAVMTM-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH+]cn1C ZINC000854498313 613359410 /nfs/dbraw/zinc/35/94/10/613359410.db2.gz CXXIWBYAAOHSCN-LBPRGKRZSA-N 1 2 264.329 0.507 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977175 613359518 /nfs/dbraw/zinc/35/95/18/613359518.db2.gz SUUGNXSGLVUBDR-NEPJUHHUSA-N 1 2 276.340 0.915 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000859780486 613373452 /nfs/dbraw/zinc/37/34/52/613373452.db2.gz RUTYYEVYXGVQKY-UHFFFAOYSA-N 1 2 273.764 0.409 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000859780486 613373453 /nfs/dbraw/zinc/37/34/53/613373453.db2.gz RUTYYEVYXGVQKY-UHFFFAOYSA-N 1 2 273.764 0.409 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964964741 613375872 /nfs/dbraw/zinc/37/58/72/613375872.db2.gz NNSVNFQVANSWCC-MWLCHTKSSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964964741 613375873 /nfs/dbraw/zinc/37/58/73/613375873.db2.gz NNSVNFQVANSWCC-MWLCHTKSSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 ZINC000968615046 613377497 /nfs/dbraw/zinc/37/74/97/613377497.db2.gz QXLSQZLGWLMICU-JQWIXIFHSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 ZINC000968615046 613377498 /nfs/dbraw/zinc/37/74/98/613377498.db2.gz QXLSQZLGWLMICU-JQWIXIFHSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)C1 ZINC000981909318 613393361 /nfs/dbraw/zinc/39/33/61/613393361.db2.gz KCMVEYUBRUEEOM-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)C1 ZINC000981909318 613393362 /nfs/dbraw/zinc/39/33/62/613393362.db2.gz KCMVEYUBRUEEOM-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000968275812 613398660 /nfs/dbraw/zinc/39/86/60/613398660.db2.gz SPWKAHVGBIEBQK-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000968275812 613398666 /nfs/dbraw/zinc/39/86/66/613398666.db2.gz SPWKAHVGBIEBQK-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000878537306 613410573 /nfs/dbraw/zinc/41/05/73/613410573.db2.gz CLFSQZZGEXIUIN-LLVKDONJSA-N 1 2 280.328 0.738 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000878662011 613411268 /nfs/dbraw/zinc/41/12/68/613411268.db2.gz KBEDLAYLEFRRGW-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845614681 613445821 /nfs/dbraw/zinc/44/58/21/613445821.db2.gz DUUOOSONGXWUOI-UTUOFQBUSA-N 1 2 269.345 0.655 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845614681 613445823 /nfs/dbraw/zinc/44/58/23/613445823.db2.gz DUUOOSONGXWUOI-UTUOFQBUSA-N 1 2 269.345 0.655 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546940 613453596 /nfs/dbraw/zinc/45/35/96/613453596.db2.gz BARQWOPLSCNDIE-ZDUSSCGKSA-N 1 2 252.358 0.890 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546940 613453597 /nfs/dbraw/zinc/45/35/97/613453597.db2.gz BARQWOPLSCNDIE-ZDUSSCGKSA-N 1 2 252.358 0.890 20 30 CCEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000886778525 613459417 /nfs/dbraw/zinc/45/94/17/613459417.db2.gz FSZHPAGSPLLODB-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000886776897 613460796 /nfs/dbraw/zinc/46/07/96/613460796.db2.gz SJPASSDWRVCURS-SNVBAGLBSA-N 1 2 251.334 0.674 20 30 CCEDLO C=C[C@H](CC)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000934321971 613488657 /nfs/dbraw/zinc/48/86/57/613488657.db2.gz WEACNAOEVHBFSX-KGLIPLIRSA-N 1 2 284.400 0.740 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838110739 613523696 /nfs/dbraw/zinc/52/36/96/613523696.db2.gz ATOOIMHIWNNUOF-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838110739 613523693 /nfs/dbraw/zinc/52/36/93/613523693.db2.gz ATOOIMHIWNNUOF-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000930590691 613524332 /nfs/dbraw/zinc/52/43/32/613524332.db2.gz WYHFBTCAHCUUAX-LBPRGKRZSA-N 1 2 252.358 0.967 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000930590691 613524336 /nfs/dbraw/zinc/52/43/36/613524336.db2.gz WYHFBTCAHCUUAX-LBPRGKRZSA-N 1 2 252.358 0.967 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3C[C@H]3C)CC2)C1 ZINC000941550085 613530117 /nfs/dbraw/zinc/53/01/17/613530117.db2.gz KTXARXUEBWRQKF-HUUCEWRRSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC000941295851 613530175 /nfs/dbraw/zinc/53/01/75/613530175.db2.gz LNOVGCMYHKEGHN-UKRRQHHQSA-N 1 2 275.396 0.494 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000970372581 613533795 /nfs/dbraw/zinc/53/37/95/613533795.db2.gz SDZGKSZOPKODFI-SNVBAGLBSA-N 1 2 276.340 0.199 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cc(CC)nn2C)CC1 ZINC000949406307 613563273 /nfs/dbraw/zinc/56/32/73/613563273.db2.gz MRPBHTHIALWPKM-UHFFFAOYSA-N 1 2 288.395 0.693 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cn2ccc(C)cc2=O)CC1 ZINC000951007991 613564060 /nfs/dbraw/zinc/56/40/60/613564060.db2.gz XYACHKZKMXDTSW-UHFFFAOYSA-N 1 2 287.363 0.324 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972371848 613571218 /nfs/dbraw/zinc/57/12/18/613571218.db2.gz UZQMRUPSCJSMRG-GDBMZVCRSA-N 1 2 294.395 0.330 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972371848 613571219 /nfs/dbraw/zinc/57/12/19/613571219.db2.gz UZQMRUPSCJSMRG-GDBMZVCRSA-N 1 2 294.395 0.330 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC3(CCC3)C(=O)O2)nn1 ZINC000881373850 613645142 /nfs/dbraw/zinc/64/51/42/613645142.db2.gz ZRTRKZFOCTUKEO-CYBMUJFWSA-N 1 2 288.351 0.877 20 30 CCEDLO C=CC[N@H+](CN1C[C@H](C(=O)OC)CC1=O)[C@@H](C)COC ZINC000853534633 613651300 /nfs/dbraw/zinc/65/13/00/613651300.db2.gz LCNLSFWNPSLYFK-NWDGAFQWSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[N@@H+](CN1C[C@H](C(=O)OC)CC1=O)[C@@H](C)COC ZINC000853534633 613651302 /nfs/dbraw/zinc/65/13/02/613651302.db2.gz LCNLSFWNPSLYFK-NWDGAFQWSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000957418321 613655935 /nfs/dbraw/zinc/65/59/35/613655935.db2.gz CLLXAWKXFIYXTO-LBPRGKRZSA-N 1 2 289.383 0.559 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC000957933296 613708211 /nfs/dbraw/zinc/70/82/11/613708211.db2.gz DRLLXDQQLKNRFK-UHFFFAOYSA-N 1 2 263.345 0.078 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC000948712669 613708918 /nfs/dbraw/zinc/70/89/18/613708918.db2.gz LXPNZMCNUOISTG-UONOGXRCSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000957791925 613712679 /nfs/dbraw/zinc/71/26/79/613712679.db2.gz XCMMMJNUWKHMKY-LBPRGKRZSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000957621724 613715750 /nfs/dbraw/zinc/71/57/50/613715750.db2.gz MLIACSWAKFXXHG-UHFFFAOYSA-N 1 2 273.336 0.729 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC000950568534 613719241 /nfs/dbraw/zinc/71/92/41/613719241.db2.gz YAPRGPKWOZQUNA-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972299041 613723741 /nfs/dbraw/zinc/72/37/41/613723741.db2.gz XJVSWRSNGFNHJC-JSGCOSHPSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972299041 613723742 /nfs/dbraw/zinc/72/37/42/613723742.db2.gz XJVSWRSNGFNHJC-JSGCOSHPSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC[S@@](=O)C(F)(F)F)C1=O ZINC000930310323 613776821 /nfs/dbraw/zinc/77/68/21/613776821.db2.gz DWUYCQPKNMEQHL-ZRNGKTOUSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC[S@@](=O)C(F)(F)F)C1=O ZINC000930310323 613776822 /nfs/dbraw/zinc/77/68/22/613776822.db2.gz DWUYCQPKNMEQHL-ZRNGKTOUSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931323372 613853037 /nfs/dbraw/zinc/85/30/37/613853037.db2.gz HXZCJCSLMTUEKJ-LLVKDONJSA-N 1 2 293.367 0.814 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931323372 613853039 /nfs/dbraw/zinc/85/30/39/613853039.db2.gz HXZCJCSLMTUEKJ-LLVKDONJSA-N 1 2 293.367 0.814 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1CC(C)C ZINC000884133910 613877729 /nfs/dbraw/zinc/87/77/29/613877729.db2.gz OVJFPBZLHANHRZ-OLZOCXBDSA-N 1 2 298.383 0.707 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000884410742 613877771 /nfs/dbraw/zinc/87/77/71/613877771.db2.gz SAAUWOPPNIDLKF-WOPDTQHZSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@]1(C)CC1(F)F ZINC000884407665 613878132 /nfs/dbraw/zinc/87/81/32/613878132.db2.gz JCPAXIFKGGFJFV-JOYOIKCWSA-N 1 2 290.310 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000884133437 613878517 /nfs/dbraw/zinc/87/85/17/613878517.db2.gz YRAHBQUGGRXYOF-ONGXEEELSA-N 1 2 280.328 0.044 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CCOCC1 ZINC000884152444 613878603 /nfs/dbraw/zinc/87/86/03/613878603.db2.gz LQICCMKLJOOPOJ-JQWIXIFHSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccsc1 ZINC000884076187 613878609 /nfs/dbraw/zinc/87/86/09/613878609.db2.gz UHCBPZBCWFNIBU-JTQLQIEISA-N 1 2 268.338 0.811 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cn(C)nc1C(C)C ZINC000884327005 613878935 /nfs/dbraw/zinc/87/89/35/613878935.db2.gz GWPWFCIEEYEXJT-JTQLQIEISA-N 1 2 294.355 0.929 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(CC)nn1C ZINC000884141847 613878970 /nfs/dbraw/zinc/87/89/70/613878970.db2.gz KMSWGXKDBLWMFO-JTQLQIEISA-N 1 2 280.328 0.368 20 30 CCEDLO CCCn1cc(C=NNCCCn2cc[nH+]c2)nn1 ZINC000872388141 614525160 /nfs/dbraw/zinc/52/51/60/614525160.db2.gz YGFNVIMFSLDYEV-UHFFFAOYSA-N 1 2 261.333 0.898 20 30 CCEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC#CCO ZINC000923771208 614541169 /nfs/dbraw/zinc/54/11/69/614541169.db2.gz JRJYNCBLAREUMT-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO CCC(Cn1cncn1)=NNCCCn1cc[nH+]c1 ZINC000848417361 614580169 /nfs/dbraw/zinc/58/01/69/614580169.db2.gz WWJLAKHPULLCRE-UHFFFAOYSA-N 1 2 261.333 0.921 20 30 CCEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977668738 614609112 /nfs/dbraw/zinc/60/91/12/614609112.db2.gz QDHKOBGKGYOUEJ-LLVKDONJSA-N 1 2 261.329 0.233 20 30 CCEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@@H](C)O)C1 ZINC000949854502 614707944 /nfs/dbraw/zinc/70/79/44/614707944.db2.gz PWGYGKQHBKCPOO-SNVBAGLBSA-N 1 2 276.340 0.413 20 30 CCEDLO CCN1C(=O)CN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523916 615078928 /nfs/dbraw/zinc/07/89/28/615078928.db2.gz IUDJYKVQEVQPAQ-NSHDSACASA-N 1 2 264.329 0.854 20 30 CCEDLO CCN1C(=O)CN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523916 615078929 /nfs/dbraw/zinc/07/89/29/615078929.db2.gz IUDJYKVQEVQPAQ-NSHDSACASA-N 1 2 264.329 0.854 20 30 CCEDLO CCOC(=O)c1cccc(C[NH2+][C@H]2CCCN(O)C2=O)n1 ZINC000895158117 615183969 /nfs/dbraw/zinc/18/39/69/615183969.db2.gz WSWSLZDBFCZGDW-NSHDSACASA-N 1 2 293.323 0.728 20 30 CCEDLO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000878816792 615225428 /nfs/dbraw/zinc/22/54/28/615225428.db2.gz KGBPAQSVHWGXOS-NSHDSACASA-N 1 2 296.371 0.615 20 30 CCEDLO CCN1CC[C@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654891 615306774 /nfs/dbraw/zinc/30/67/74/615306774.db2.gz YHDPVCDTFJPEJH-LBPRGKRZSA-N 1 2 277.324 0.953 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C#N ZINC000928640805 615476843 /nfs/dbraw/zinc/47/68/43/615476843.db2.gz SHQCJUXJTWYYSV-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cn1 ZINC000928642110 615479488 /nfs/dbraw/zinc/47/94/88/615479488.db2.gz ZXSYNSOYBFIXTL-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)NCCC#N)c1C ZINC000879119230 615651521 /nfs/dbraw/zinc/65/15/21/615651521.db2.gz XLBIEDAGAALBFH-UHFFFAOYSA-N 1 2 277.372 0.982 20 30 CCEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)NCCC#N)c1C ZINC000879119230 615651522 /nfs/dbraw/zinc/65/15/22/615651522.db2.gz XLBIEDAGAALBFH-UHFFFAOYSA-N 1 2 277.372 0.982 20 30 CCEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801909406 615674472 /nfs/dbraw/zinc/67/44/72/615674472.db2.gz DSVOLBHLPOREGF-UONOGXRCSA-N 1 2 296.415 0.447 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000967977134 615839917 /nfs/dbraw/zinc/83/99/17/615839917.db2.gz YYJPHIXIVJURQS-VHSXEESVSA-N 1 2 277.328 0.482 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000913523631 615861214 /nfs/dbraw/zinc/86/12/14/615861214.db2.gz GZPPMTUWATUUOE-UHFFFAOYSA-N 1 2 286.335 0.350 20 30 CCEDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000886468661 615911547 /nfs/dbraw/zinc/91/15/47/615911547.db2.gz LWVMGPGAUQHXMB-LBPRGKRZSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000886468661 615911549 /nfs/dbraw/zinc/91/15/49/615911549.db2.gz LWVMGPGAUQHXMB-LBPRGKRZSA-N 1 2 294.380 0.668 20 30 CCEDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905946419 615974049 /nfs/dbraw/zinc/97/40/49/615974049.db2.gz GVBKFCRAIWBFJR-GFCCVEGCSA-N 1 2 295.383 0.220 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(N)=O)c1 ZINC000844946680 616067771 /nfs/dbraw/zinc/06/77/71/616067771.db2.gz SYMCHZUQJZXHEC-GFCCVEGCSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(N)=O)c1 ZINC000844946680 616067772 /nfs/dbraw/zinc/06/77/72/616067772.db2.gz SYMCHZUQJZXHEC-GFCCVEGCSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cscc2C#N)C[C@H]1CO ZINC000913542381 616232045 /nfs/dbraw/zinc/23/20/45/616232045.db2.gz IWVRPXDGTACXEU-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cscc2C#N)C[C@H]1CO ZINC000913542381 616232046 /nfs/dbraw/zinc/23/20/46/616232046.db2.gz IWVRPXDGTACXEU-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1CO ZINC000894886522 616247445 /nfs/dbraw/zinc/24/74/45/616247445.db2.gz WFMKXVNPWFPKPG-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1CO ZINC000894886522 616247446 /nfs/dbraw/zinc/24/74/46/616247446.db2.gz WFMKXVNPWFPKPG-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000921413150 616303267 /nfs/dbraw/zinc/30/32/67/616303267.db2.gz FNAKOWSJHGEDME-LLVKDONJSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000921413150 616303271 /nfs/dbraw/zinc/30/32/71/616303271.db2.gz FNAKOWSJHGEDME-LLVKDONJSA-N 1 2 283.328 0.680 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000933169396 616305704 /nfs/dbraw/zinc/30/57/04/616305704.db2.gz DOVCRMHPKXQOGH-VXGBXAGGSA-N 1 2 293.367 0.822 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000933169396 616305709 /nfs/dbraw/zinc/30/57/09/616305709.db2.gz DOVCRMHPKXQOGH-VXGBXAGGSA-N 1 2 293.367 0.822 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCCC#N ZINC000917104758 616458981 /nfs/dbraw/zinc/45/89/81/616458981.db2.gz WDIHZCQJEWNKBQ-XQQFMLRXSA-N 1 2 293.367 0.822 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCC#N ZINC000917104758 616458983 /nfs/dbraw/zinc/45/89/83/616458983.db2.gz WDIHZCQJEWNKBQ-XQQFMLRXSA-N 1 2 293.367 0.822 20 30 CCEDLO COC1C[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000871980176 616527079 /nfs/dbraw/zinc/52/70/79/616527079.db2.gz WRZCIQLAIWUTID-LLVKDONJSA-N 1 2 254.330 0.388 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831458009 616527596 /nfs/dbraw/zinc/52/75/96/616527596.db2.gz IGOVHCRSOLVDAG-UHFFFAOYSA-N 1 2 263.316 0.993 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)[C@@H](C)CC#N ZINC000851102588 616652932 /nfs/dbraw/zinc/65/29/32/616652932.db2.gz VGQCAKDQZMVVBD-AVGNSLFASA-N 1 2 284.356 0.815 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)[C@@H](C)CC#N ZINC000851102588 616652936 /nfs/dbraw/zinc/65/29/36/616652936.db2.gz VGQCAKDQZMVVBD-AVGNSLFASA-N 1 2 284.356 0.815 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629654 616736602 /nfs/dbraw/zinc/73/66/02/616736602.db2.gz UITHOYQMLKOSSH-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629654 616736607 /nfs/dbraw/zinc/73/66/07/616736607.db2.gz UITHOYQMLKOSSH-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCO[C@@H](C)C#N ZINC000879155816 616767057 /nfs/dbraw/zinc/76/70/57/616767057.db2.gz IUVDFNJLVXLUIA-GVXVVHGQSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCO[C@@H](C)C#N ZINC000879155816 616767063 /nfs/dbraw/zinc/76/70/63/616767063.db2.gz IUVDFNJLVXLUIA-GVXVVHGQSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000880558075 616785375 /nfs/dbraw/zinc/78/53/75/616785375.db2.gz IUAKTNQIQORWLX-AWEZNQCLSA-N 1 2 278.283 0.807 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000880558075 616785380 /nfs/dbraw/zinc/78/53/80/616785380.db2.gz IUAKTNQIQORWLX-AWEZNQCLSA-N 1 2 278.283 0.807 20 30 CCEDLO COC[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000933337321 616805582 /nfs/dbraw/zinc/80/55/82/616805582.db2.gz UIYQYGMOBRSWLS-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000933337321 616805584 /nfs/dbraw/zinc/80/55/84/616805584.db2.gz UIYQYGMOBRSWLS-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866352997 616923283 /nfs/dbraw/zinc/92/32/83/616923283.db2.gz DCZGUPYGRPYHIB-ONGXEEELSA-N 1 2 250.298 0.922 20 30 CCEDLO CNC(=S)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872325684 616930809 /nfs/dbraw/zinc/93/08/09/616930809.db2.gz BZXSURXFERNKLO-SECBINFHSA-N 1 2 258.416 0.648 20 30 CCEDLO CNC(=S)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872325684 616930814 /nfs/dbraw/zinc/93/08/14/616930814.db2.gz BZXSURXFERNKLO-SECBINFHSA-N 1 2 258.416 0.648 20 30 CCEDLO CNC(=S)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872325685 616931118 /nfs/dbraw/zinc/93/11/18/616931118.db2.gz BZXSURXFERNKLO-VIFPVBQESA-N 1 2 258.416 0.648 20 30 CCEDLO CNC(=S)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872325685 616931121 /nfs/dbraw/zinc/93/11/21/616931121.db2.gz BZXSURXFERNKLO-VIFPVBQESA-N 1 2 258.416 0.648 20 30 CCEDLO CON(C)C(=O)C[NH2+]Cc1cccc(F)c1C#N ZINC000895046352 617038275 /nfs/dbraw/zinc/03/82/75/617038275.db2.gz HYKUANRVAYQBKL-UHFFFAOYSA-N 1 2 251.261 0.807 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001026251896 625374773 /nfs/dbraw/zinc/37/47/73/625374773.db2.gz LLBJIKGSRXNVIK-YNEHKIRRSA-N 1 2 287.367 0.692 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001008464009 625464663 /nfs/dbraw/zinc/46/46/63/625464663.db2.gz LPXDGUIOORMRGJ-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001008464009 625464667 /nfs/dbraw/zinc/46/46/67/625464667.db2.gz LPXDGUIOORMRGJ-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807276 623449919 /nfs/dbraw/zinc/44/99/19/623449919.db2.gz AZYWDEPSAYSXIC-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024807276 623449937 /nfs/dbraw/zinc/44/99/37/623449937.db2.gz AZYWDEPSAYSXIC-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024807276 623449942 /nfs/dbraw/zinc/44/99/42/623449942.db2.gz AZYWDEPSAYSXIC-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO Cc1cc(C#N)nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000892857245 623854863 /nfs/dbraw/zinc/85/48/63/623854863.db2.gz UQXBKZCSEIBIHJ-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001020877422 624619323 /nfs/dbraw/zinc/61/93/23/624619323.db2.gz UYOXSOHYWWNQCE-HAQNSBGRSA-N 1 2 296.334 0.641 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010653887 624682380 /nfs/dbraw/zinc/68/23/80/624682380.db2.gz ZDVJPUKKKBPGJM-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010653887 624682381 /nfs/dbraw/zinc/68/23/81/624682381.db2.gz ZDVJPUKKKBPGJM-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970402415 624683536 /nfs/dbraw/zinc/68/35/36/624683536.db2.gz PYGRVQOKPBKZSF-GFCCVEGCSA-N 1 2 296.334 0.595 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970464995 624690158 /nfs/dbraw/zinc/69/01/58/624690158.db2.gz LEDRFHJQJLHIDH-GFCCVEGCSA-N 1 2 296.334 0.595 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCC#C[C@H]1CCCCO1 ZINC000891121746 624731342 /nfs/dbraw/zinc/73/13/42/624731342.db2.gz NFEJXAFTRKSBHZ-CYBMUJFWSA-N 1 2 261.325 0.651 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001022530014 625013874 /nfs/dbraw/zinc/01/38/74/625013874.db2.gz NLQYECMZRYLVAX-OKILXGFUSA-N 1 2 295.346 0.955 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027336397 625836345 /nfs/dbraw/zinc/83/63/45/625836345.db2.gz PYWNLFOPLLWYBM-WCQYABFASA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027336397 625836348 /nfs/dbraw/zinc/83/63/48/625836348.db2.gz PYWNLFOPLLWYBM-WCQYABFASA-N 1 2 290.371 0.398 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCO)CC2)cc1 ZINC000902777791 634458468 /nfs/dbraw/zinc/45/84/68/634458468.db2.gz OEYZNXDVBDJFLE-UHFFFAOYSA-N 1 2 273.336 0.585 20 30 CCEDLO Cc1cnc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cn1 ZINC000980850364 631068036 /nfs/dbraw/zinc/06/80/36/631068036.db2.gz SXBHJVCIQIWXHY-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1cnc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cn1 ZINC000980850364 631068038 /nfs/dbraw/zinc/06/80/38/631068038.db2.gz SXBHJVCIQIWXHY-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981352757 631271858 /nfs/dbraw/zinc/27/18/58/631271858.db2.gz FEZREUNVXQTVFU-GHMZBOCLSA-N 1 2 261.329 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006687059 650048087 /nfs/dbraw/zinc/04/80/87/650048087.db2.gz WQIOSDSUQOBJMC-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006687059 650048088 /nfs/dbraw/zinc/04/80/88/650048088.db2.gz WQIOSDSUQOBJMC-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008203627 650105678 /nfs/dbraw/zinc/10/56/78/650105678.db2.gz MNWWVYHNGOSVCD-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008203627 650105679 /nfs/dbraw/zinc/10/56/79/650105679.db2.gz MNWWVYHNGOSVCD-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989439038 633233660 /nfs/dbraw/zinc/23/36/60/633233660.db2.gz KIABRLRTRVCODB-UHFFFAOYSA-N 1 2 283.763 0.634 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989439038 633233666 /nfs/dbraw/zinc/23/36/66/633233666.db2.gz KIABRLRTRVCODB-UHFFFAOYSA-N 1 2 283.763 0.634 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000989474382 633315632 /nfs/dbraw/zinc/31/56/32/633315632.db2.gz IARLGDFRPQESJQ-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000989474382 633315635 /nfs/dbraw/zinc/31/56/35/633315635.db2.gz IARLGDFRPQESJQ-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000989474382 633315638 /nfs/dbraw/zinc/31/56/38/633315638.db2.gz IARLGDFRPQESJQ-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000989474382 633315643 /nfs/dbraw/zinc/31/56/43/633315643.db2.gz IARLGDFRPQESJQ-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000901073924 634176842 /nfs/dbraw/zinc/17/68/42/634176842.db2.gz CHCWJKAEQVTGMJ-UHFFFAOYSA-N 1 2 287.323 0.078 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082719 635073926 /nfs/dbraw/zinc/07/39/26/635073926.db2.gz MOXDTSNYSVJJJB-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082719 635073929 /nfs/dbraw/zinc/07/39/29/635073929.db2.gz MOXDTSNYSVJJJB-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C)C1 ZINC001010141883 650186813 /nfs/dbraw/zinc/18/68/13/650186813.db2.gz VHYFHSFIVOTLCQ-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C)C1 ZINC001010141883 650186814 /nfs/dbraw/zinc/18/68/14/650186814.db2.gz VHYFHSFIVOTLCQ-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)co1 ZINC000913440110 636807608 /nfs/dbraw/zinc/80/76/08/636807608.db2.gz PBZYOOIKTLUZHO-GFCCVEGCSA-N 1 2 271.280 0.661 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[NH2+]2)cn1 ZINC000913465826 636818748 /nfs/dbraw/zinc/81/87/48/636818748.db2.gz BNROBDHMWOULDM-ZDUSSCGKSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C#Cc3ccccc3)CC[NH2+]2)cn1 ZINC000913469402 636820928 /nfs/dbraw/zinc/82/09/28/636820928.db2.gz YWBWPZYJWVCATB-MRXNPFEDSA-N 1 2 294.358 0.945 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011728976 650313387 /nfs/dbraw/zinc/31/33/87/650313387.db2.gz XFTBSIKOGGFZMV-GFCCVEGCSA-N 1 2 289.339 0.104 20 30 CCEDLO N#CCCN1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000913761305 637432877 /nfs/dbraw/zinc/43/28/77/637432877.db2.gz GJBACXLZVQJJRJ-UHFFFAOYSA-N 1 2 273.340 0.551 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015621029 637756035 /nfs/dbraw/zinc/75/60/35/637756035.db2.gz QMWSMQBWNBABFC-WDEREUQCSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015621029 637756041 /nfs/dbraw/zinc/75/60/41/637756041.db2.gz QMWSMQBWNBABFC-WDEREUQCSA-N 1 2 273.340 0.048 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1CC#N ZINC000993886004 637852124 /nfs/dbraw/zinc/85/21/24/637852124.db2.gz KYJVZPAVDNPWKH-JQWIXIFHSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1CC#N ZINC000994504025 637953951 /nfs/dbraw/zinc/95/39/51/637953951.db2.gz GEBQQEAIIOHTQF-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1C ZINC000944445920 638769550 /nfs/dbraw/zinc/76/95/50/638769550.db2.gz QVFRJACUBDJIAJ-PWSUYJOCSA-N 1 2 275.356 0.611 20 30 CCEDLO C#CCCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000186097300 638796879 /nfs/dbraw/zinc/79/68/79/638796879.db2.gz DNWSZBFFQZDPPG-UHFFFAOYSA-N 1 2 273.340 0.580 20 30 CCEDLO C#CCCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000186097300 638796881 /nfs/dbraw/zinc/79/68/81/638796881.db2.gz DNWSZBFFQZDPPG-UHFFFAOYSA-N 1 2 273.340 0.580 20 30 CCEDLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NCC#N ZINC000995890585 638804437 /nfs/dbraw/zinc/80/44/37/638804437.db2.gz HLJXASQARZCOKD-GFCCVEGCSA-N 1 2 275.356 0.692 20 30 CCEDLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC000995890585 638804439 /nfs/dbraw/zinc/80/44/39/638804439.db2.gz HLJXASQARZCOKD-GFCCVEGCSA-N 1 2 275.356 0.692 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996735110 638830567 /nfs/dbraw/zinc/83/05/67/638830567.db2.gz YWXOITNDRJNETF-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H](CC(=O)N1CCC(NCC#N)CC1)n1cc[nH+]c1 ZINC000997044395 638849774 /nfs/dbraw/zinc/84/97/74/638849774.db2.gz DXIXDRZGDAPVDI-GFCCVEGCSA-N 1 2 275.356 0.938 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000686693 639153221 /nfs/dbraw/zinc/15/32/21/639153221.db2.gz CYYCCWOWYJFFRV-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001014725770 650482365 /nfs/dbraw/zinc/48/23/65/650482365.db2.gz SBCYUNFKQKQVTQ-NEPJUHHUSA-N 1 2 290.367 0.352 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001014725770 650482367 /nfs/dbraw/zinc/48/23/67/650482367.db2.gz SBCYUNFKQKQVTQ-NEPJUHHUSA-N 1 2 290.367 0.352 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830681 650493511 /nfs/dbraw/zinc/49/35/11/650493511.db2.gz DOITWYVVHJSOHI-VIFPVBQESA-N 1 2 284.747 0.980 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830681 650493515 /nfs/dbraw/zinc/49/35/15/650493515.db2.gz DOITWYVVHJSOHI-VIFPVBQESA-N 1 2 284.747 0.980 20 30 CCEDLO C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)CN1C1CC1 ZINC000799490809 640577504 /nfs/dbraw/zinc/57/75/04/640577504.db2.gz ULWXEOXCEHDFGI-CYBMUJFWSA-N 1 2 280.416 0.911 20 30 CCEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801910278 640673133 /nfs/dbraw/zinc/67/31/33/640673133.db2.gz NQPFIAFHWXNJSZ-QWHCGFSZSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241260 640694611 /nfs/dbraw/zinc/69/46/11/640694611.db2.gz KVOWIPAZGIOVBG-VHSXEESVSA-N 1 2 281.291 0.298 20 30 CCEDLO C[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241260 640694613 /nfs/dbraw/zinc/69/46/13/640694613.db2.gz KVOWIPAZGIOVBG-VHSXEESVSA-N 1 2 281.291 0.298 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015664737 650604806 /nfs/dbraw/zinc/60/48/06/650604806.db2.gz CBHCZFNWQOSPBO-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015664737 650604808 /nfs/dbraw/zinc/60/48/08/650604808.db2.gz CBHCZFNWQOSPBO-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO C[C@]([NH2+]C[C@H](O)CC#N)(C(N)=O)c1cccc(Cl)c1 ZINC000809576065 640899510 /nfs/dbraw/zinc/89/95/10/640899510.db2.gz HJDWCGOPAZXTHV-DGCLKSJQSA-N 1 2 281.743 0.905 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000811924594 640993100 /nfs/dbraw/zinc/99/31/00/640993100.db2.gz BGPJDVNOVPNSQO-NSHDSACASA-N 1 2 251.265 0.567 20 30 CCEDLO COc1ccccc1CONC[C@@H](O)C[N@H+](C)CCC#N ZINC000819287551 641397357 /nfs/dbraw/zinc/39/73/57/641397357.db2.gz OUTGMVFXBJRQSQ-CQSZACIVSA-N 1 2 293.367 0.923 20 30 CCEDLO COc1ccccc1CONC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819287551 641397365 /nfs/dbraw/zinc/39/73/65/641397365.db2.gz OUTGMVFXBJRQSQ-CQSZACIVSA-N 1 2 293.367 0.923 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccn12 ZINC000820130984 641464874 /nfs/dbraw/zinc/46/48/74/641464874.db2.gz DRVLXESWPSJOCM-JTQLQIEISA-N 1 2 274.280 0.363 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015991463 650670863 /nfs/dbraw/zinc/67/08/63/650670863.db2.gz BLPPEMFSHVUNTN-QWRGUYRKSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015991463 650670866 /nfs/dbraw/zinc/67/08/66/650670866.db2.gz BLPPEMFSHVUNTN-QWRGUYRKSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015991463 650670867 /nfs/dbraw/zinc/67/08/67/650670867.db2.gz BLPPEMFSHVUNTN-QWRGUYRKSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015991463 650670871 /nfs/dbraw/zinc/67/08/71/650670871.db2.gz BLPPEMFSHVUNTN-QWRGUYRKSA-N 1 2 275.356 0.286 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000834516165 642598253 /nfs/dbraw/zinc/59/82/53/642598253.db2.gz FUAATMWWUALAPD-KWQFWETISA-N 1 2 259.313 0.130 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCO1 ZINC001017376482 650797891 /nfs/dbraw/zinc/79/78/91/650797891.db2.gz VNJHZPNCSYAPBL-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCO1 ZINC001017376482 650797892 /nfs/dbraw/zinc/79/78/92/650797892.db2.gz VNJHZPNCSYAPBL-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)[nH]1 ZINC001017543809 650810136 /nfs/dbraw/zinc/81/01/36/650810136.db2.gz YGFPGQWKOJOPMQ-BETUJISGSA-N 1 2 287.367 0.354 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc(C)[nH]1 ZINC001017543809 650810138 /nfs/dbraw/zinc/81/01/38/650810138.db2.gz YGFPGQWKOJOPMQ-BETUJISGSA-N 1 2 287.367 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001017601890 650813401 /nfs/dbraw/zinc/81/34/01/650813401.db2.gz OAGHGSHHDDCJNZ-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001017601890 650813404 /nfs/dbraw/zinc/81/34/04/650813404.db2.gz OAGHGSHHDDCJNZ-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCN(C)C1=O ZINC001017642539 650815436 /nfs/dbraw/zinc/81/54/36/650815436.db2.gz XOFFEIGTMZWYGR-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCN(C)C1=O ZINC001017642539 650815437 /nfs/dbraw/zinc/81/54/37/650815437.db2.gz XOFFEIGTMZWYGR-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000848750997 643674842 /nfs/dbraw/zinc/67/48/42/643674842.db2.gz LGFPOXDCYFNHDO-ZDUSSCGKSA-N 1 2 299.378 0.605 20 30 CCEDLO C#C[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000848750997 643674847 /nfs/dbraw/zinc/67/48/47/643674847.db2.gz LGFPOXDCYFNHDO-ZDUSSCGKSA-N 1 2 299.378 0.605 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)CCC1 ZINC000852437946 643965553 /nfs/dbraw/zinc/96/55/53/643965553.db2.gz KLYFTNZMUXMDTC-LLVKDONJSA-N 1 2 292.339 0.075 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)CCC1 ZINC000852437946 643965558 /nfs/dbraw/zinc/96/55/58/643965558.db2.gz KLYFTNZMUXMDTC-LLVKDONJSA-N 1 2 292.339 0.075 20 30 CCEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001018629922 650886331 /nfs/dbraw/zinc/88/63/31/650886331.db2.gz CFELIALAQRVGNS-UWVGGRQHSA-N 1 2 293.327 0.066 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018631955 650887549 /nfs/dbraw/zinc/88/75/49/650887549.db2.gz KPDWGJYMZSIQNG-IUCAKERBSA-N 1 2 265.342 0.388 20 30 CCEDLO CS(=O)(=O)CCCON=C(N)C[NH+]1CCCCCC1 ZINC000111178579 644092593 /nfs/dbraw/zinc/09/25/93/644092593.db2.gz TUUJLPZEAGEMDW-UHFFFAOYSA-N 1 2 291.417 0.586 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H](NCC#N)C1 ZINC001019031578 650931554 /nfs/dbraw/zinc/93/15/54/650931554.db2.gz QPQSNXSIRAIXEI-LBPRGKRZSA-N 1 2 274.324 0.347 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857945797 644581050 /nfs/dbraw/zinc/58/10/50/644581050.db2.gz QPCSQBUHPPABNT-HIFRSBDPSA-N 1 2 296.330 0.919 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCn3c[nH+]cc32)nc1 ZINC000857981673 644588549 /nfs/dbraw/zinc/58/85/49/644588549.db2.gz AMOIAGUUQBUNSQ-NSHDSACASA-N 1 2 282.307 0.823 20 30 CCEDLO Nc1ccc2c(c1)C(=[NH+]NC1=NCC(=O)N1)CCCC2 ZINC000863177906 645066609 /nfs/dbraw/zinc/06/66/09/645066609.db2.gz ZCFQYNLVEDZABX-UHFFFAOYSA-N 1 2 271.324 0.775 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000279292825 650979782 /nfs/dbraw/zinc/97/97/82/650979782.db2.gz YFTGMFJJNUHXHD-ZDUSSCGKSA-N 1 2 299.378 0.766 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCCC1OCCO1 ZINC000120297657 645305949 /nfs/dbraw/zinc/30/59/49/645305949.db2.gz DTQHXVYXTGKSON-UHFFFAOYSA-N 1 2 251.286 0.676 20 30 CCEDLO C[C@@H]([NH2+]CC1(CO)COC1)c1cccc(C#N)c1O ZINC000866308861 645517111 /nfs/dbraw/zinc/51/71/11/645517111.db2.gz IJZCPFTZKVBGGU-SNVBAGLBSA-N 1 2 262.309 0.923 20 30 CCEDLO C=CCOCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869265009 645866189 /nfs/dbraw/zinc/86/61/89/645866189.db2.gz CZEDSPNQDQFIIO-HWKANZROSA-N 1 2 268.357 0.584 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000877583968 646825928 /nfs/dbraw/zinc/82/59/28/646825928.db2.gz NELGBKCOZMEGMQ-ZDUSSCGKSA-N 1 2 281.743 0.926 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000877583968 646825932 /nfs/dbraw/zinc/82/59/32/646825932.db2.gz NELGBKCOZMEGMQ-ZDUSSCGKSA-N 1 2 281.743 0.926 20 30 CCEDLO C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)CCO)C1CC1 ZINC000136070844 647867592 /nfs/dbraw/zinc/86/75/92/647867592.db2.gz JCBKIORNXMUSKO-SECBINFHSA-N 1 2 269.345 0.447 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3nn[nH]c3C2)CCC1 ZINC000886164866 647912011 /nfs/dbraw/zinc/91/20/11/647912011.db2.gz WFIOBNIWMAQLEW-SNVBAGLBSA-N 1 2 261.329 0.608 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3nn[nH]c3C2)CCC1 ZINC000886164866 647912014 /nfs/dbraw/zinc/91/20/14/647912014.db2.gz WFIOBNIWMAQLEW-SNVBAGLBSA-N 1 2 261.329 0.608 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000887690059 648143781 /nfs/dbraw/zinc/14/37/81/648143781.db2.gz FHKJNMNCBHOZCB-OAHLLOKOSA-N 1 2 288.351 0.903 20 30 CCEDLO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)CC#N)s1 ZINC000930758627 648901819 /nfs/dbraw/zinc/90/18/19/648901819.db2.gz CYLUMWKNLNGIAK-HTQZYQBOSA-N 1 2 269.326 0.855 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000951181903 649520777 /nfs/dbraw/zinc/52/07/77/649520777.db2.gz KGHYTBLPPITFAZ-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCC1CC1 ZINC000092914170 649728595 /nfs/dbraw/zinc/72/85/95/649728595.db2.gz MGQHFOMUMWRLHC-UHFFFAOYSA-N 1 2 262.313 0.439 20 30 CCEDLO N#CCN1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC000958179530 649790192 /nfs/dbraw/zinc/79/01/92/649790192.db2.gz OHLMNGZHPJBOJK-BXUZGUMPSA-N 1 2 299.334 0.109 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC)C1=O ZINC001230551248 805619167 /nfs/dbraw/zinc/61/91/67/805619167.db2.gz ATAIJNLNOMGIAD-QWHCGFSZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC)C1=O ZINC001230551248 805619172 /nfs/dbraw/zinc/61/91/72/805619172.db2.gz ATAIJNLNOMGIAD-QWHCGFSZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccnc1 ZINC001266250046 790328062 /nfs/dbraw/zinc/32/80/62/790328062.db2.gz BONSOYZEIOPDKI-UHFFFAOYSA-N 1 2 276.340 0.045 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccnc1 ZINC001266250046 790328072 /nfs/dbraw/zinc/32/80/72/790328072.db2.gz BONSOYZEIOPDKI-UHFFFAOYSA-N 1 2 276.340 0.045 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCNC(=O)C#CC(C)C ZINC001266273311 790372931 /nfs/dbraw/zinc/37/29/31/790372931.db2.gz PFAPPYKGHOGZIJ-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)C ZINC001266273311 790372941 /nfs/dbraw/zinc/37/29/41/790372941.db2.gz PFAPPYKGHOGZIJ-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO CCC[C@@H](OCC)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266290325 790427301 /nfs/dbraw/zinc/42/73/01/790427301.db2.gz VMOHISYKYXASRO-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001266317346 790494782 /nfs/dbraw/zinc/49/47/82/790494782.db2.gz QCUJZGXDSPDERI-GFCCVEGCSA-N 1 2 275.356 0.309 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001266317346 790494785 /nfs/dbraw/zinc/49/47/85/790494785.db2.gz QCUJZGXDSPDERI-GFCCVEGCSA-N 1 2 275.356 0.309 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)CC(=O)NCC#N ZINC001266323356 790507503 /nfs/dbraw/zinc/50/75/03/790507503.db2.gz AKHNGLQAHNXMNU-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)CC(=O)NCC#N ZINC001266323356 790507512 /nfs/dbraw/zinc/50/75/12/790507512.db2.gz AKHNGLQAHNXMNU-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001266342091 790546275 /nfs/dbraw/zinc/54/62/75/790546275.db2.gz HMKRUBHVBQFCNW-CHWSQXEVSA-N 1 2 279.384 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001266342091 790546283 /nfs/dbraw/zinc/54/62/83/790546283.db2.gz HMKRUBHVBQFCNW-CHWSQXEVSA-N 1 2 279.384 0.076 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001266410691 790654157 /nfs/dbraw/zinc/65/41/57/790654157.db2.gz GMPORRZQYSDFAW-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001266410691 790654164 /nfs/dbraw/zinc/65/41/64/790654164.db2.gz GMPORRZQYSDFAW-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC ZINC001038187402 790827295 /nfs/dbraw/zinc/82/72/95/790827295.db2.gz XWNREJBUFPRULB-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC ZINC001038187402 790827308 /nfs/dbraw/zinc/82/73/08/790827308.db2.gz XWNREJBUFPRULB-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230682956 805647731 /nfs/dbraw/zinc/64/77/31/805647731.db2.gz YOQTXJPXKLUSBU-UONOGXRCSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230682956 805647738 /nfs/dbraw/zinc/64/77/38/805647738.db2.gz YOQTXJPXKLUSBU-UONOGXRCSA-N 1 2 291.395 0.623 20 30 CCEDLO CN(C)C(=O)C1=NO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]12 ZINC001277478688 805717518 /nfs/dbraw/zinc/71/75/18/805717518.db2.gz LCLBDTYQSXHWMW-UONOGXRCSA-N 1 2 298.346 0.833 20 30 CCEDLO CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]12 ZINC001277478688 805717521 /nfs/dbraw/zinc/71/75/21/805717521.db2.gz LCLBDTYQSXHWMW-UONOGXRCSA-N 1 2 298.346 0.833 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001231122953 805734782 /nfs/dbraw/zinc/73/47/82/805734782.db2.gz QFYIXMPGNBIXPI-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001231122953 805734785 /nfs/dbraw/zinc/73/47/85/805734785.db2.gz QFYIXMPGNBIXPI-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395947 805788487 /nfs/dbraw/zinc/78/84/87/805788487.db2.gz RNZHSOFADUZAQB-CQSZACIVSA-N 1 2 291.351 0.400 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395947 805788492 /nfs/dbraw/zinc/78/84/92/805788492.db2.gz RNZHSOFADUZAQB-CQSZACIVSA-N 1 2 291.351 0.400 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231707660 805842280 /nfs/dbraw/zinc/84/22/80/805842280.db2.gz YEFFMJRPCXWAAS-UHFFFAOYSA-N 1 2 294.311 0.328 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)COC)C1 ZINC001277570398 805858306 /nfs/dbraw/zinc/85/83/06/805858306.db2.gz GSPXBSNSUGJJLA-LBPRGKRZSA-N 1 2 270.373 0.614 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001277636953 805913585 /nfs/dbraw/zinc/91/35/85/805913585.db2.gz RIDXXJORHOQVJX-LBPRGKRZSA-N 1 2 270.373 0.349 20 30 CCEDLO N#Cc1ccnc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001232479514 805945955 /nfs/dbraw/zinc/94/59/55/805945955.db2.gz RXDDXWQVNUNBIR-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1ccnc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001232479514 805945960 /nfs/dbraw/zinc/94/59/60/805945960.db2.gz RXDDXWQVNUNBIR-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO CC1(C)CN(Cc2[nH]ccc2C#N)CC[N@@H+]1CC(N)=O ZINC001233047441 806012364 /nfs/dbraw/zinc/01/23/64/806012364.db2.gz ZGWPOVIUKGGFNU-UHFFFAOYSA-N 1 2 275.356 0.268 20 30 CCEDLO CC1(C)CN(Cc2[nH]ccc2C#N)CC[N@H+]1CC(N)=O ZINC001233047441 806012368 /nfs/dbraw/zinc/01/23/68/806012368.db2.gz ZGWPOVIUKGGFNU-UHFFFAOYSA-N 1 2 275.356 0.268 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001233047518 806012973 /nfs/dbraw/zinc/01/29/73/806012973.db2.gz CAHKXUQGFVUROU-UHFFFAOYSA-N 1 2 288.351 0.710 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cncc(Cl)n2)CC1 ZINC001233450409 806058103 /nfs/dbraw/zinc/05/81/03/806058103.db2.gz SVQPPJKPVSVPKY-UHFFFAOYSA-N 1 2 250.733 0.881 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001234170042 806194667 /nfs/dbraw/zinc/19/46/67/806194667.db2.gz HSODABNYKWYBQD-KBPBESRZSA-N 1 2 291.395 0.409 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001234170042 806194670 /nfs/dbraw/zinc/19/46/70/806194670.db2.gz HSODABNYKWYBQD-KBPBESRZSA-N 1 2 291.395 0.409 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195600 806202654 /nfs/dbraw/zinc/20/26/54/806202654.db2.gz MCTSLGRWMXUBIT-CHWSQXEVSA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195600 806202659 /nfs/dbraw/zinc/20/26/59/806202659.db2.gz MCTSLGRWMXUBIT-CHWSQXEVSA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195602 806202873 /nfs/dbraw/zinc/20/28/73/806202873.db2.gz MCTSLGRWMXUBIT-QWHCGFSZSA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195602 806202883 /nfs/dbraw/zinc/20/28/83/806202883.db2.gz MCTSLGRWMXUBIT-QWHCGFSZSA-N 1 2 277.368 0.196 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001234266711 806214156 /nfs/dbraw/zinc/21/41/56/806214156.db2.gz SQLWYKUYZSSANN-GJZGRUSLSA-N 1 2 292.379 0.207 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001234266711 806214164 /nfs/dbraw/zinc/21/41/64/806214164.db2.gz SQLWYKUYZSSANN-GJZGRUSLSA-N 1 2 292.379 0.207 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038256044 793257147 /nfs/dbraw/zinc/25/71/47/793257147.db2.gz XASGMLNILUGINX-LLVKDONJSA-N 1 2 296.321 0.976 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038256044 793257150 /nfs/dbraw/zinc/25/71/50/793257150.db2.gz XASGMLNILUGINX-LLVKDONJSA-N 1 2 296.321 0.976 20 30 CCEDLO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCC#N ZINC001277939566 806412099 /nfs/dbraw/zinc/41/20/99/806412099.db2.gz XKDRJHYNOMOVIQ-STQMWFEESA-N 1 2 253.346 0.669 20 30 CCEDLO COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2CCC#N ZINC001277939566 806412102 /nfs/dbraw/zinc/41/21/02/806412102.db2.gz XKDRJHYNOMOVIQ-STQMWFEESA-N 1 2 253.346 0.669 20 30 CCEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277939566 806412108 /nfs/dbraw/zinc/41/21/08/806412108.db2.gz XKDRJHYNOMOVIQ-STQMWFEESA-N 1 2 253.346 0.669 20 30 CCEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277939566 806412109 /nfs/dbraw/zinc/41/21/09/806412109.db2.gz XKDRJHYNOMOVIQ-STQMWFEESA-N 1 2 253.346 0.669 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nccc(C)n1 ZINC001235698529 806494906 /nfs/dbraw/zinc/49/49/06/806494906.db2.gz KVIFJYLYKCOFGV-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nccc(C)n1 ZINC001235698529 806494909 /nfs/dbraw/zinc/49/49/09/806494909.db2.gz KVIFJYLYKCOFGV-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccn2)C1 ZINC001120930342 798963260 /nfs/dbraw/zinc/96/32/60/798963260.db2.gz WTZIQNVFSSCREJ-GFCCVEGCSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccn2)C1 ZINC001120930342 798963263 /nfs/dbraw/zinc/96/32/63/798963263.db2.gz WTZIQNVFSSCREJ-GFCCVEGCSA-N 1 2 286.335 0.234 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1 ZINC001278127856 806707499 /nfs/dbraw/zinc/70/74/99/806707499.db2.gz FPDIZIGJBFKVTO-NSHDSACASA-N 1 2 281.356 0.762 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001278127555 806707590 /nfs/dbraw/zinc/70/75/90/806707590.db2.gz AKRGIWVNYWDCIN-NSHDSACASA-N 1 2 295.387 0.282 20 30 CCEDLO Cc1nc(N[C@H](CO)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001121520804 799055092 /nfs/dbraw/zinc/05/50/92/799055092.db2.gz RKTPNVOJNUQCHO-LBPRGKRZSA-N 1 2 276.340 0.333 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001123970064 799520609 /nfs/dbraw/zinc/52/06/09/799520609.db2.gz GEIDRVSOELKHAI-VIFPVBQESA-N 1 2 250.302 0.902 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@H]1C ZINC001278234707 806784244 /nfs/dbraw/zinc/78/42/44/806784244.db2.gz SFZXYAMVLTUEDS-ZYHUDNBSSA-N 1 2 294.355 0.660 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012679 799887870 /nfs/dbraw/zinc/88/78/70/799887870.db2.gz GAVHJOLYLXGLRV-STQMWFEESA-N 1 2 287.367 0.883 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012679 799887877 /nfs/dbraw/zinc/88/78/77/799887877.db2.gz GAVHJOLYLXGLRV-STQMWFEESA-N 1 2 287.367 0.883 20 30 CCEDLO Cn1cncc1C[NH+]1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001278246860 806790151 /nfs/dbraw/zinc/79/01/51/806790151.db2.gz KYAOJCGEXBIFFT-ZDUSSCGKSA-N 1 2 299.378 0.804 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001278256589 806793786 /nfs/dbraw/zinc/79/37/86/806793786.db2.gz IQZLDUOWWZGZSP-RYUDHWBXSA-N 1 2 287.385 0.025 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001278256589 806793794 /nfs/dbraw/zinc/79/37/94/806793794.db2.gz IQZLDUOWWZGZSP-RYUDHWBXSA-N 1 2 287.385 0.025 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001141657004 800027657 /nfs/dbraw/zinc/02/76/57/800027657.db2.gz WNQRXQNJYVSYGK-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CCC#N ZINC001143205349 800206283 /nfs/dbraw/zinc/20/62/83/800206283.db2.gz WNBIOILVEMVQAX-NSHDSACASA-N 1 2 278.312 0.314 20 30 CCEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007178 800579567 /nfs/dbraw/zinc/57/95/67/800579567.db2.gz PELYTBNJFIFUMN-LLVKDONJSA-N 1 2 279.340 0.442 20 30 CCEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007178 800579575 /nfs/dbraw/zinc/57/95/75/800579575.db2.gz PELYTBNJFIFUMN-LLVKDONJSA-N 1 2 279.340 0.442 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001153160258 800603825 /nfs/dbraw/zinc/60/38/25/800603825.db2.gz PLBHZYOUJUTFFM-UWVGGRQHSA-N 1 2 282.344 0.736 20 30 CCEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232575 800612370 /nfs/dbraw/zinc/61/23/70/800612370.db2.gz IZLAQFVAQJMTFE-GFCCVEGCSA-N 1 2 289.383 0.555 20 30 CCEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232575 800612373 /nfs/dbraw/zinc/61/23/73/800612373.db2.gz IZLAQFVAQJMTFE-GFCCVEGCSA-N 1 2 289.383 0.555 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC001153863331 800680262 /nfs/dbraw/zinc/68/02/62/800680262.db2.gz KDCIRCXMXMPHSL-STQMWFEESA-N 1 2 287.367 0.608 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC001153863331 800680263 /nfs/dbraw/zinc/68/02/63/800680263.db2.gz KDCIRCXMXMPHSL-STQMWFEESA-N 1 2 287.367 0.608 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001155860456 801067909 /nfs/dbraw/zinc/06/79/09/801067909.db2.gz LBOHTZKGNQBNGD-VIFPVBQESA-N 1 2 277.328 0.703 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001156485171 801173919 /nfs/dbraw/zinc/17/39/19/801173919.db2.gz BYMVYGZCFIBVSS-OCCSQVGLSA-N 1 2 270.373 0.493 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCc1ccnc(C#N)c1 ZINC001156662153 801208689 /nfs/dbraw/zinc/20/86/89/801208689.db2.gz YPXVIZPCLQVRLZ-UHFFFAOYSA-N 1 2 269.308 0.936 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNC(=S)Nc1cccc(C#N)c1 ZINC001239389852 806896464 /nfs/dbraw/zinc/89/64/64/806896464.db2.gz OYCFIFLYLWRJRU-LLVKDONJSA-N 1 2 292.364 0.735 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972408 801274815 /nfs/dbraw/zinc/27/48/15/801274815.db2.gz NJOZBMQDATTZNZ-SECBINFHSA-N 1 2 270.296 0.083 20 30 CCEDLO N#Cc1c[nH]c2nc(-n3[nH]c(=O)nc3C[NH3+])ccc12 ZINC001157934225 801530441 /nfs/dbraw/zinc/53/04/41/801530441.db2.gz UKTAWANAWDWBBS-UHFFFAOYSA-N 1 2 255.241 0.180 20 30 CCEDLO C=CCNC(=O)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470322 801656330 /nfs/dbraw/zinc/65/63/30/801656330.db2.gz BNRDTZQKJIVVTC-SECBINFHSA-N 1 2 299.268 0.285 20 30 CCEDLO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158470322 801656339 /nfs/dbraw/zinc/65/63/39/801656339.db2.gz BNRDTZQKJIVVTC-SECBINFHSA-N 1 2 299.268 0.285 20 30 CCEDLO Cc1ncc(C#N)c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160722794 802010907 /nfs/dbraw/zinc/01/09/07/802010907.db2.gz IRJAMLXPKYNILD-UONOGXRCSA-N 1 2 287.367 0.744 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)c(C#N)cc1C#N ZINC001161949764 802254789 /nfs/dbraw/zinc/25/47/89/802254789.db2.gz AERIEWFXYKXFPG-SECBINFHSA-N 1 2 293.714 0.781 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1[nH]ccc2ncc(C#N)c1-2 ZINC001161950699 802257359 /nfs/dbraw/zinc/25/73/59/802257359.db2.gz YQXBWDAAXXKOHR-SECBINFHSA-N 1 2 273.296 0.737 20 30 CCEDLO CSc1nc(C)c(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162682307 802388330 /nfs/dbraw/zinc/38/83/30/802388330.db2.gz BHNXEFJUGBZPPV-JTQLQIEISA-N 1 2 293.396 0.543 20 30 CCEDLO CSc1nc(C)c(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162682307 802388337 /nfs/dbraw/zinc/38/83/37/802388337.db2.gz BHNXEFJUGBZPPV-JTQLQIEISA-N 1 2 293.396 0.543 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001278843835 808320154 /nfs/dbraw/zinc/32/01/54/808320154.db2.gz PDYDOLRMCNJMIO-ZDUSSCGKSA-N 1 2 284.400 0.931 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2n[nH]cc2c1 ZINC001263951407 809612038 /nfs/dbraw/zinc/61/20/38/809612038.db2.gz DYAWCLBDLMKWKG-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2n[nH]cc2c1 ZINC001263951407 809612041 /nfs/dbraw/zinc/61/20/41/809612041.db2.gz DYAWCLBDLMKWKG-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265280787 809744897 /nfs/dbraw/zinc/74/48/97/809744897.db2.gz FYVPTCPFLWSGAN-NXIHDVOMSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265280787 809744903 /nfs/dbraw/zinc/74/49/03/809744903.db2.gz FYVPTCPFLWSGAN-NXIHDVOMSA-N 1 2 278.356 0.173 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cnc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001164305119 802716232 /nfs/dbraw/zinc/71/62/32/802716232.db2.gz PFWLRHGTNIVQIP-CBAPKCEASA-N 1 2 291.267 0.177 20 30 CCEDLO CC(C)(C)NC(=O)c1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001164650810 802775226 /nfs/dbraw/zinc/77/52/26/802775226.db2.gz AZPAIOAEIHKNQE-LBPRGKRZSA-N 1 2 287.367 0.912 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(C(N)=O)cc2ccccc21 ZINC001164660333 802776622 /nfs/dbraw/zinc/77/66/22/802776622.db2.gz CCLRROHVXLTIRZ-LLVKDONJSA-N 1 2 281.319 0.635 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001075616535 812421481 /nfs/dbraw/zinc/42/14/81/812421481.db2.gz WHEOGXFYQMLUGS-NTZNESFSSA-N 1 2 274.324 0.867 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001075616535 812421486 /nfs/dbraw/zinc/42/14/86/812421486.db2.gz WHEOGXFYQMLUGS-NTZNESFSSA-N 1 2 274.324 0.867 20 30 CCEDLO CNc1ccc(Nc2nc(C#N)c(C#N)nc2N)c[nH+]1 ZINC001203449229 803028067 /nfs/dbraw/zinc/02/80/67/803028067.db2.gz CUKGBNNZTOMGRZ-UHFFFAOYSA-N 1 2 266.268 0.982 20 30 CCEDLO N#CCNCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805585 803175534 /nfs/dbraw/zinc/17/55/34/803175534.db2.gz PEFGUUYZJUALNY-UHFFFAOYSA-N 1 2 275.356 0.625 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001206607013 803275012 /nfs/dbraw/zinc/27/50/12/803275012.db2.gz LITPKVUGMMUQCX-CHWSQXEVSA-N 1 2 292.383 0.559 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001206607013 803275018 /nfs/dbraw/zinc/27/50/18/803275018.db2.gz LITPKVUGMMUQCX-CHWSQXEVSA-N 1 2 292.383 0.559 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC001207222278 803369805 /nfs/dbraw/zinc/36/98/05/803369805.db2.gz AMSZACQOICSLMC-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC001207222278 803369810 /nfs/dbraw/zinc/36/98/10/803369810.db2.gz AMSZACQOICSLMC-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001208517756 803519624 /nfs/dbraw/zinc/51/96/24/803519624.db2.gz TUXITHYYCLABAO-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001208517756 803519629 /nfs/dbraw/zinc/51/96/29/803519629.db2.gz TUXITHYYCLABAO-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](CCC(=O)OCC)CC1 ZINC001209038032 803567867 /nfs/dbraw/zinc/56/78/67/803567867.db2.gz HGRJEWUUZWOYHV-UHFFFAOYSA-N 1 2 270.329 0.880 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@H](OC)C1 ZINC001213269204 803687554 /nfs/dbraw/zinc/68/75/54/803687554.db2.gz DSMKSETVNRWRNU-IGQOVBAYSA-N 1 2 280.368 0.108 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@H](OC)C1 ZINC001213269204 803687556 /nfs/dbraw/zinc/68/75/56/803687556.db2.gz DSMKSETVNRWRNU-IGQOVBAYSA-N 1 2 280.368 0.108 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@H](OC)C1 ZINC001213380154 803692738 /nfs/dbraw/zinc/69/27/38/803692738.db2.gz LHELBXYBBMTPOA-JHJVBQTASA-N 1 2 268.357 0.106 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@H](OC)C1 ZINC001213380154 803692741 /nfs/dbraw/zinc/69/27/41/803692741.db2.gz LHELBXYBBMTPOA-JHJVBQTASA-N 1 2 268.357 0.106 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211990279 814964361 /nfs/dbraw/zinc/96/43/61/814964361.db2.gz GMLQASGVVNCNOF-MRVWCRGKSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211990279 814964367 /nfs/dbraw/zinc/96/43/67/814964367.db2.gz GMLQASGVVNCNOF-MRVWCRGKSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CO[C@H](C)CC)[C@H]2C1 ZINC001217655191 803900189 /nfs/dbraw/zinc/90/01/89/803900189.db2.gz RETBRAJREMGPQZ-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CO[C@H](C)CC)[C@H]2C1 ZINC001217655191 803900195 /nfs/dbraw/zinc/90/01/95/803900195.db2.gz RETBRAJREMGPQZ-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCCOC)[C@H]2C1 ZINC001218925610 804159918 /nfs/dbraw/zinc/15/99/18/804159918.db2.gz QIRXUUIKUJDFJG-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCCOC)[C@H]2C1 ZINC001218925610 804159919 /nfs/dbraw/zinc/15/99/19/804159919.db2.gz QIRXUUIKUJDFJG-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCCOC)[C@H]2C1 ZINC001218925609 804160195 /nfs/dbraw/zinc/16/01/95/804160195.db2.gz QIRXUUIKUJDFJG-QLFBSQMISA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCCOC)[C@H]2C1 ZINC001218925609 804160201 /nfs/dbraw/zinc/16/02/01/804160201.db2.gz QIRXUUIKUJDFJG-QLFBSQMISA-N 1 2 294.395 0.594 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CC)C[C@@H]21 ZINC001219065542 804189565 /nfs/dbraw/zinc/18/95/65/804189565.db2.gz HZQQSQZZKNIJTF-SOUVJXGZSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CC)C[C@@H]21 ZINC001219065542 804189569 /nfs/dbraw/zinc/18/95/69/804189569.db2.gz HZQQSQZZKNIJTF-SOUVJXGZSA-N 1 2 292.379 0.512 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001083450086 815004356 /nfs/dbraw/zinc/00/43/56/815004356.db2.gz BUSLIZFEOSAOCU-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001083450086 815004357 /nfs/dbraw/zinc/00/43/57/815004357.db2.gz BUSLIZFEOSAOCU-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 ZINC001219463649 804319978 /nfs/dbraw/zinc/31/99/78/804319978.db2.gz GPGBTTVHMBDRQD-NEPJUHHUSA-N 1 2 284.331 0.061 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 ZINC001219463649 804319989 /nfs/dbraw/zinc/31/99/89/804319989.db2.gz GPGBTTVHMBDRQD-NEPJUHHUSA-N 1 2 284.331 0.061 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220201468 804535569 /nfs/dbraw/zinc/53/55/69/804535569.db2.gz QVWCDCFVMLDQOP-ZNMIVQPWSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220201468 804535573 /nfs/dbraw/zinc/53/55/73/804535573.db2.gz QVWCDCFVMLDQOP-ZNMIVQPWSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220201242 804536342 /nfs/dbraw/zinc/53/63/42/804536342.db2.gz JXQVMSMOYWVSSS-TUAOUCFPSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220201242 804536345 /nfs/dbraw/zinc/53/63/45/804536345.db2.gz JXQVMSMOYWVSSS-TUAOUCFPSA-N 1 2 258.337 0.720 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](O)C1 ZINC001220461620 804609435 /nfs/dbraw/zinc/60/94/35/804609435.db2.gz XJWNWCKMMVIUBK-MJBXVCDLSA-N 1 2 282.384 0.090 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](O)C1 ZINC001220461620 804609438 /nfs/dbraw/zinc/60/94/38/804609438.db2.gz XJWNWCKMMVIUBK-MJBXVCDLSA-N 1 2 282.384 0.090 20 30 CCEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220625059 804639841 /nfs/dbraw/zinc/63/98/41/804639841.db2.gz ZNIBIQBVYSABTE-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220625059 804639845 /nfs/dbraw/zinc/63/98/45/804639845.db2.gz ZNIBIQBVYSABTE-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001276842021 804935554 /nfs/dbraw/zinc/93/55/54/804935554.db2.gz JQHKXIDQKBYLGE-AWEZNQCLSA-N 1 2 262.353 0.630 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001276842021 804935558 /nfs/dbraw/zinc/93/55/58/804935558.db2.gz JQHKXIDQKBYLGE-AWEZNQCLSA-N 1 2 262.353 0.630 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001276854388 804942565 /nfs/dbraw/zinc/94/25/65/804942565.db2.gz VQHRFQHVFRBWTD-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001276854388 804942567 /nfs/dbraw/zinc/94/25/67/804942567.db2.gz VQHRFQHVFRBWTD-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC001276883570 804967112 /nfs/dbraw/zinc/96/71/12/804967112.db2.gz KXMZWGDWOXASIT-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC001276883570 804967117 /nfs/dbraw/zinc/96/71/17/804967117.db2.gz KXMZWGDWOXASIT-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001276948026 805010329 /nfs/dbraw/zinc/01/03/29/805010329.db2.gz HSTZSLHBODEEQV-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001276948026 805010340 /nfs/dbraw/zinc/01/03/40/805010340.db2.gz HSTZSLHBODEEQV-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001276985290 805062551 /nfs/dbraw/zinc/06/25/51/805062551.db2.gz AVNLKZPRGAHVHW-HUUCEWRRSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001276985290 805062561 /nfs/dbraw/zinc/06/25/61/805062561.db2.gz AVNLKZPRGAHVHW-HUUCEWRRSA-N 1 2 293.411 0.751 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001088658144 815050652 /nfs/dbraw/zinc/05/06/52/815050652.db2.gz KVYRTSKMPWQSFD-YPMHNXCESA-N 1 2 288.351 0.735 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)/C(C)=C\C)C2)nn1 ZINC001098649415 815053610 /nfs/dbraw/zinc/05/36/10/815053610.db2.gz QPUVJTCXPZTIKV-WTKLMOFPSA-N 1 2 287.367 0.741 20 30 CCEDLO COC(=O)c1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226948122 805297282 /nfs/dbraw/zinc/29/72/82/805297282.db2.gz FQMLHROAQXKHHK-OTDFPYDRSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226948122 805297287 /nfs/dbraw/zinc/29/72/87/805297287.db2.gz FQMLHROAQXKHHK-OTDFPYDRSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C)(C#N)CC2)CN1 ZINC001246849426 807405690 /nfs/dbraw/zinc/40/56/90/807405690.db2.gz RFHXIDAXFUUTNH-QWRGUYRKSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1ccc(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)nc1 ZINC001247262518 807459026 /nfs/dbraw/zinc/45/90/26/807459026.db2.gz NUSSJJYOXYWUOZ-LLVKDONJSA-N 1 2 282.263 0.781 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126816206 815132331 /nfs/dbraw/zinc/13/23/31/815132331.db2.gz VRPINTCIYDALIO-NSHDSACASA-N 1 2 294.355 0.642 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001278592218 807609307 /nfs/dbraw/zinc/60/93/07/807609307.db2.gz ASXOOKLIDNGFPU-ZJUUUORDSA-N 1 2 264.304 0.670 20 30 CCEDLO N#Cc1c(F)cc(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251033893 807649482 /nfs/dbraw/zinc/64/94/82/807649482.db2.gz OVVPBSKYYSODIO-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001251836314 807715704 /nfs/dbraw/zinc/71/57/04/807715704.db2.gz XVOSINDLKKETRM-DCAQKATOSA-N 1 2 299.264 0.334 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001251836314 807715707 /nfs/dbraw/zinc/71/57/07/807715707.db2.gz XVOSINDLKKETRM-DCAQKATOSA-N 1 2 299.264 0.334 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001038115839 815142043 /nfs/dbraw/zinc/14/20/43/815142043.db2.gz YOFBPYCSXJYUHE-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001038115839 815142046 /nfs/dbraw/zinc/14/20/46/815142046.db2.gz YOFBPYCSXJYUHE-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001251887802 807735328 /nfs/dbraw/zinc/73/53/28/807735328.db2.gz JMWOVKHMMWXIPJ-XQQFMLRXSA-N 1 2 271.357 0.565 20 30 CCEDLO C=CCOC[C@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252459203 807873263 /nfs/dbraw/zinc/87/32/63/807873263.db2.gz VTPDBZMRNZEIML-UONOGXRCSA-N 1 2 293.367 0.628 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001252465362 807876606 /nfs/dbraw/zinc/87/66/06/807876606.db2.gz FPUUUOAOUVIJKG-XJFOESAGSA-N 1 2 299.367 0.202 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001252465362 807876611 /nfs/dbraw/zinc/87/66/11/807876611.db2.gz FPUUUOAOUVIJKG-XJFOESAGSA-N 1 2 299.367 0.202 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1CC ZINC001038491635 815161865 /nfs/dbraw/zinc/16/18/65/815161865.db2.gz KAGNADYIWVJWID-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1CC ZINC001038491635 815161871 /nfs/dbraw/zinc/16/18/71/815161871.db2.gz KAGNADYIWVJWID-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](O)C1 ZINC001083496095 815163899 /nfs/dbraw/zinc/16/38/99/815163899.db2.gz DLZUICZWORCMLC-NEPJUHHUSA-N 1 2 295.289 0.158 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](O)C1 ZINC001083496095 815163903 /nfs/dbraw/zinc/16/39/03/815163903.db2.gz DLZUICZWORCMLC-NEPJUHHUSA-N 1 2 295.289 0.158 20 30 CCEDLO C=C[C@@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001253568003 808082167 /nfs/dbraw/zinc/08/21/67/808082167.db2.gz BFWWFLSNYNCKRV-SNVBAGLBSA-N 1 2 250.302 0.272 20 30 CCEDLO C=C[C@@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001253568003 808082168 /nfs/dbraw/zinc/08/21/68/808082168.db2.gz BFWWFLSNYNCKRV-SNVBAGLBSA-N 1 2 250.302 0.272 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1csnn1 ZINC001126893552 815198339 /nfs/dbraw/zinc/19/83/39/815198339.db2.gz RUDYFNWYKKPKFM-UHFFFAOYSA-N 1 2 266.370 0.793 20 30 CCEDLO N#Cc1ccnnc1NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142626084 815206493 /nfs/dbraw/zinc/20/64/93/815206493.db2.gz DBILMKFXIYNPSY-NSHDSACASA-N 1 2 257.297 0.771 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H](F)CC)C(C)C ZINC001278914236 808472547 /nfs/dbraw/zinc/47/25/47/808472547.db2.gz CRTKYKZKHMMQGD-CYBMUJFWSA-N 1 2 299.390 0.653 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H](F)CC)C(C)C ZINC001278914236 808472554 /nfs/dbraw/zinc/47/25/54/808472554.db2.gz CRTKYKZKHMMQGD-CYBMUJFWSA-N 1 2 299.390 0.653 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001256605297 808539437 /nfs/dbraw/zinc/53/94/37/808539437.db2.gz YWFDHQUJDWGTIN-CMPLNLGQSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001256605297 808539443 /nfs/dbraw/zinc/53/94/43/808539443.db2.gz YWFDHQUJDWGTIN-CMPLNLGQSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001256605299 808539773 /nfs/dbraw/zinc/53/97/73/808539773.db2.gz YWFDHQUJDWGTIN-PWSUYJOCSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001256605299 808539781 /nfs/dbraw/zinc/53/97/81/808539781.db2.gz YWFDHQUJDWGTIN-PWSUYJOCSA-N 1 2 266.341 0.705 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001257052380 808584388 /nfs/dbraw/zinc/58/43/88/808584388.db2.gz OGWSXVQABMRACL-GRYCIOLGSA-N 1 2 251.330 0.516 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H](O)C1 ZINC001083542940 815245994 /nfs/dbraw/zinc/24/59/94/815245994.db2.gz XMVFQARLPIVRFT-HIFRSBDPSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H](O)C1 ZINC001083542940 815245997 /nfs/dbraw/zinc/24/59/97/815245997.db2.gz XMVFQARLPIVRFT-HIFRSBDPSA-N 1 2 298.346 0.051 20 30 CCEDLO C[C@@H]1C[NH+](Cc2cnc(N(C)C)nc2)C[C@@H](C)N1CC#N ZINC001262112326 809194284 /nfs/dbraw/zinc/19/42/84/809194284.db2.gz FWQVRXBOVVMLNO-CHWSQXEVSA-N 1 2 288.399 0.961 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(=O)cc[nH]1 ZINC001262179682 809225373 /nfs/dbraw/zinc/22/53/73/809225373.db2.gz XYNQUJBSFYTMOE-ZDUSSCGKSA-N 1 2 259.309 0.089 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(=O)cc[nH]1 ZINC001262179682 809225376 /nfs/dbraw/zinc/22/53/76/809225376.db2.gz XYNQUJBSFYTMOE-ZDUSSCGKSA-N 1 2 259.309 0.089 20 30 CCEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076297838 815273485 /nfs/dbraw/zinc/27/34/85/815273485.db2.gz MRIWGUPGGBSJOD-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076411510 815293566 /nfs/dbraw/zinc/29/35/66/815293566.db2.gz LBDAFCPGCGXQDC-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO COCCN(CCC#N)C(=O)CCc1[nH+]ccn1C ZINC001263726369 809557548 /nfs/dbraw/zinc/55/75/48/809557548.db2.gz FLCZCVPMCJAMEN-UHFFFAOYSA-N 1 2 264.329 0.741 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)CCC1 ZINC001264159370 809634528 /nfs/dbraw/zinc/63/45/28/809634528.db2.gz YQIVXJUJKFLYRG-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)CCC1 ZINC001264159370 809634529 /nfs/dbraw/zinc/63/45/29/809634529.db2.gz YQIVXJUJKFLYRG-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265235064 809729478 /nfs/dbraw/zinc/72/94/78/809729478.db2.gz HRZZHUCQCKWJPH-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001265235525 809729956 /nfs/dbraw/zinc/72/99/56/809729956.db2.gz QWVLEQCZEKVNCX-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001265235525 809729959 /nfs/dbraw/zinc/72/99/59/809729959.db2.gz QWVLEQCZEKVNCX-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO CC1(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001265295436 809750906 /nfs/dbraw/zinc/75/09/06/809750906.db2.gz VYTVPTDSCGOSCG-LLVKDONJSA-N 1 2 278.356 0.007 20 30 CCEDLO CC1(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001265295436 809750911 /nfs/dbraw/zinc/75/09/11/809750911.db2.gz VYTVPTDSCGOSCG-LLVKDONJSA-N 1 2 278.356 0.007 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1CCN(CC#N)C1)n1cc[nH+]c1 ZINC001265305886 809753747 /nfs/dbraw/zinc/75/37/47/809753747.db2.gz GBJRPQLDLITFNB-VXGBXAGGSA-N 1 2 261.329 0.548 20 30 CCEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001265814599 809861005 /nfs/dbraw/zinc/86/10/05/809861005.db2.gz BCXYLYWSLFXRQE-VHSXEESVSA-N 1 2 278.360 0.772 20 30 CCEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H](C)C#N)[nH]1 ZINC001265814599 809861007 /nfs/dbraw/zinc/86/10/07/809861007.db2.gz BCXYLYWSLFXRQE-VHSXEESVSA-N 1 2 278.360 0.772 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCNC(=O)C#CC(C)C)n1 ZINC001265843157 809872067 /nfs/dbraw/zinc/87/20/67/809872067.db2.gz VRZLSYLEBKFQSQ-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCNC(=O)C#CC(C)C)n1 ZINC001265843157 809872068 /nfs/dbraw/zinc/87/20/68/809872068.db2.gz VRZLSYLEBKFQSQ-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO N#CCNC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265990907 809914108 /nfs/dbraw/zinc/91/41/08/809914108.db2.gz WNOPRSKCDRNUTQ-STQMWFEESA-N 1 2 287.367 0.407 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076652350 815329783 /nfs/dbraw/zinc/32/97/83/815329783.db2.gz PVVBADCYGGHXHF-ZIAGYGMSSA-N 1 2 291.326 0.769 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076652350 815329791 /nfs/dbraw/zinc/32/97/91/815329791.db2.gz PVVBADCYGGHXHF-ZIAGYGMSSA-N 1 2 291.326 0.769 20 30 CCEDLO C[C@@H](CC(=O)N(C)C1CC(NCC#N)C1)n1cc[nH+]c1 ZINC001279294928 809975300 /nfs/dbraw/zinc/97/53/00/809975300.db2.gz LUUBXBKVDYBDIR-HIFPTAJRSA-N 1 2 275.356 0.937 20 30 CCEDLO C/C=C(\C)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001279527415 809985762 /nfs/dbraw/zinc/98/57/62/809985762.db2.gz COKKTWBHTNEWHR-KGVSQERTSA-N 1 2 290.367 0.341 20 30 CCEDLO C/C=C(\C)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001279527415 809985764 /nfs/dbraw/zinc/98/57/64/809985764.db2.gz COKKTWBHTNEWHR-KGVSQERTSA-N 1 2 290.367 0.341 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001280406170 810016283 /nfs/dbraw/zinc/01/62/83/810016283.db2.gz KEDDPUBBOCPERM-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001280406170 810016289 /nfs/dbraw/zinc/01/62/89/810016289.db2.gz KEDDPUBBOCPERM-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267275153 811079367 /nfs/dbraw/zinc/07/93/67/811079367.db2.gz UPYFPSPBLUWKDD-SNVBAGLBSA-N 1 2 285.775 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267275153 811079374 /nfs/dbraw/zinc/07/93/74/811079374.db2.gz UPYFPSPBLUWKDD-SNVBAGLBSA-N 1 2 285.775 0.585 20 30 CCEDLO N#CCCN1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724745969 811087156 /nfs/dbraw/zinc/08/71/56/811087156.db2.gz NMCYRALSXDIMOB-VIFPVBQESA-N 1 2 260.288 0.027 20 30 CCEDLO C=CC[N@@H+](CCNC(=O)CCS(C)(=O)=O)C1CC1 ZINC001267328135 811162305 /nfs/dbraw/zinc/16/23/05/811162305.db2.gz LPTGEVWDVRSEGH-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@H+](CCNC(=O)CCS(C)(=O)=O)C1CC1 ZINC001267328135 811162309 /nfs/dbraw/zinc/16/23/09/811162309.db2.gz LPTGEVWDVRSEGH-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC001088836955 815430243 /nfs/dbraw/zinc/43/02/43/815430243.db2.gz HKZQBIYDXHLDDC-ZJUUUORDSA-N 1 2 264.329 0.504 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001038297556 811323795 /nfs/dbraw/zinc/32/37/95/811323795.db2.gz WHBXZFFTGSATCY-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001038297556 811323806 /nfs/dbraw/zinc/32/38/06/811323806.db2.gz WHBXZFFTGSATCY-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](O)C1 ZINC001083561418 815441007 /nfs/dbraw/zinc/44/10/07/815441007.db2.gz QPLHKJMHNBAKJD-MNOVXSKESA-N 1 2 279.365 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](O)C1 ZINC001083561418 815441012 /nfs/dbraw/zinc/44/10/12/815441012.db2.gz QPLHKJMHNBAKJD-MNOVXSKESA-N 1 2 279.365 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001077115318 815447375 /nfs/dbraw/zinc/44/73/75/815447375.db2.gz AILRHKDXCGZSHQ-CHWSQXEVSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001077115318 815447380 /nfs/dbraw/zinc/44/73/80/815447380.db2.gz AILRHKDXCGZSHQ-CHWSQXEVSA-N 1 2 288.347 0.567 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001098167448 811448003 /nfs/dbraw/zinc/44/80/03/811448003.db2.gz AKQFSCLDWCMIOF-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098599332 811503277 /nfs/dbraw/zinc/50/32/77/811503277.db2.gz ZBHRIAWJANSDNP-CYBMUJFWSA-N 1 2 275.356 0.574 20 30 CCEDLO CN(CC#N)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267602674 811520048 /nfs/dbraw/zinc/52/00/48/811520048.db2.gz JEWIEWMTMYUCPQ-UHFFFAOYSA-N 1 2 275.356 0.646 20 30 CCEDLO CC(C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267621424 811578892 /nfs/dbraw/zinc/57/88/92/811578892.db2.gz RZKZIVVAMFCVPL-ZDUSSCGKSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267621424 811578895 /nfs/dbraw/zinc/57/88/95/811578895.db2.gz RZKZIVVAMFCVPL-ZDUSSCGKSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001038333832 811611043 /nfs/dbraw/zinc/61/10/43/811611043.db2.gz OAVZDPQFRPVAQT-LBPRGKRZSA-N 1 2 288.351 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001038333832 811611048 /nfs/dbraw/zinc/61/10/48/811611048.db2.gz OAVZDPQFRPVAQT-LBPRGKRZSA-N 1 2 288.351 0.411 20 30 CCEDLO C=CCCOCC(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001267671329 811635339 /nfs/dbraw/zinc/63/53/39/811635339.db2.gz BICSTKVEDSXYOV-LLVKDONJSA-N 1 2 256.346 0.414 20 30 CCEDLO N#CCN1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267683098 811648213 /nfs/dbraw/zinc/64/82/13/811648213.db2.gz HQHUEBVFHZOICV-UHFFFAOYSA-N 1 2 287.367 0.333 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267689721 811652917 /nfs/dbraw/zinc/65/29/17/811652917.db2.gz PEZACWXIBFIKFN-WDNDVIMCSA-N 1 2 291.395 0.383 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001267694584 811660569 /nfs/dbraw/zinc/66/05/69/811660569.db2.gz DCVGONXAMUOXLU-KBPBESRZSA-N 1 2 291.395 0.076 20 30 CCEDLO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267696383 811660642 /nfs/dbraw/zinc/66/06/42/811660642.db2.gz FDLNZMBHWMZKHB-GFCCVEGCSA-N 1 2 275.356 0.151 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267696383 811660648 /nfs/dbraw/zinc/66/06/48/811660648.db2.gz FDLNZMBHWMZKHB-GFCCVEGCSA-N 1 2 275.356 0.151 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001267735879 811705133 /nfs/dbraw/zinc/70/51/33/811705133.db2.gz KZJUISBVVIVNFO-CYBMUJFWSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001267735879 811705139 /nfs/dbraw/zinc/70/51/39/811705139.db2.gz KZJUISBVVIVNFO-CYBMUJFWSA-N 1 2 279.384 0.669 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001267755591 811749074 /nfs/dbraw/zinc/74/90/74/811749074.db2.gz MIPKDOMEUZHQOZ-HNNXBMFYSA-N 1 2 299.374 0.582 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001267755591 811749082 /nfs/dbraw/zinc/74/90/82/811749082.db2.gz MIPKDOMEUZHQOZ-HNNXBMFYSA-N 1 2 299.374 0.582 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267773789 811773532 /nfs/dbraw/zinc/77/35/32/811773532.db2.gz QFRUNOOTRQMGNJ-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267773789 811773537 /nfs/dbraw/zinc/77/35/37/811773537.db2.gz QFRUNOOTRQMGNJ-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001077322833 815480754 /nfs/dbraw/zinc/48/07/54/815480754.db2.gz KGSXGJPACPBAFW-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001077322833 815480756 /nfs/dbraw/zinc/48/07/56/815480756.db2.gz KGSXGJPACPBAFW-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC4(CC4)C3)C2)nn1 ZINC001105325646 811918394 /nfs/dbraw/zinc/91/83/94/811918394.db2.gz VLHQVHJXDHPUJQ-UHFFFAOYSA-N 1 2 299.378 0.574 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001077364261 815486330 /nfs/dbraw/zinc/48/63/30/815486330.db2.gz JBUSHEMXRBXLCX-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001077364261 815486333 /nfs/dbraw/zinc/48/63/33/815486333.db2.gz JBUSHEMXRBXLCX-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125994933 811972459 /nfs/dbraw/zinc/97/24/59/811972459.db2.gz POGXWEDUPWJPJP-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027858632 812099374 /nfs/dbraw/zinc/09/93/74/812099374.db2.gz FPAZDXIRWVEYBF-NXEZZACHSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027858632 812099379 /nfs/dbraw/zinc/09/93/79/812099379.db2.gz FPAZDXIRWVEYBF-NXEZZACHSA-N 1 2 287.747 0.428 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001100354265 812256063 /nfs/dbraw/zinc/25/60/63/812256063.db2.gz SPYDOIZZECTTPO-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109522 812284298 /nfs/dbraw/zinc/28/42/98/812284298.db2.gz JRFQCXKQSQGAMZ-UWVGGRQHSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109522 812284304 /nfs/dbraw/zinc/28/43/04/812284304.db2.gz JRFQCXKQSQGAMZ-UWVGGRQHSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001126332461 812352737 /nfs/dbraw/zinc/35/27/37/812352737.db2.gz HTXGQBGICMUZBQ-UHFFFAOYSA-N 1 2 250.302 0.387 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H](O)C1 ZINC001083600809 815528706 /nfs/dbraw/zinc/52/87/06/815528706.db2.gz OXFJNEVBWIXSCP-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H](O)C1 ZINC001083600809 815528707 /nfs/dbraw/zinc/52/87/07/815528707.db2.gz OXFJNEVBWIXSCP-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768814 812715216 /nfs/dbraw/zinc/71/52/16/812715216.db2.gz RXZYBUYPWUBQBH-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768814 812715221 /nfs/dbraw/zinc/71/52/21/812715221.db2.gz RXZYBUYPWUBQBH-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001126383154 812842770 /nfs/dbraw/zinc/84/27/70/812842770.db2.gz FTJXHVPBXADCJS-NOZJJQNGSA-N 1 2 282.344 0.472 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001268639543 812961465 /nfs/dbraw/zinc/96/14/65/812961465.db2.gz JVFATWZLVOLAOI-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nncc3ccccc32)[C@@H](O)C1 ZINC001083631730 815573901 /nfs/dbraw/zinc/57/39/01/815573901.db2.gz JBUSHEMXRBXLCX-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nncc3ccccc32)[C@@H](O)C1 ZINC001083631730 815573909 /nfs/dbraw/zinc/57/39/09/815573909.db2.gz JBUSHEMXRBXLCX-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638294 813087187 /nfs/dbraw/zinc/08/71/87/813087187.db2.gz GAXZGHFPRQRIRG-QWHCGFSZSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001268922142 813143581 /nfs/dbraw/zinc/14/35/81/813143581.db2.gz JDGBDALFDAOPKU-IHRRRGAJSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001268922142 813143585 /nfs/dbraw/zinc/14/35/85/813143585.db2.gz JDGBDALFDAOPKU-IHRRRGAJSA-N 1 2 291.395 0.600 20 30 CCEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCS ZINC001268959601 813161454 /nfs/dbraw/zinc/16/14/54/813161454.db2.gz GDFUZWPBZBNNJL-RYUDHWBXSA-N 1 2 288.413 0.602 20 30 CCEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCS ZINC001268959601 813161459 /nfs/dbraw/zinc/16/14/59/813161459.db2.gz GDFUZWPBZBNNJL-RYUDHWBXSA-N 1 2 288.413 0.602 20 30 CCEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)CCS)C2)C1 ZINC001268960062 813161972 /nfs/dbraw/zinc/16/19/72/813161972.db2.gz VPOLBZSLTJKXQZ-UHFFFAOYSA-N 1 2 288.413 0.461 20 30 CCEDLO COCCOC[N@H+]1CCC2(CN(C(=O)CCS)C2)C1 ZINC001268960062 813161979 /nfs/dbraw/zinc/16/19/79/813161979.db2.gz VPOLBZSLTJKXQZ-UHFFFAOYSA-N 1 2 288.413 0.461 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001269061253 813198783 /nfs/dbraw/zinc/19/87/83/813198783.db2.gz HWEBHUUVTFMSFG-SMDDNHRTSA-N 1 2 267.373 0.525 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001269061253 813198787 /nfs/dbraw/zinc/19/87/87/813198787.db2.gz HWEBHUUVTFMSFG-SMDDNHRTSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001269101389 813217095 /nfs/dbraw/zinc/21/70/95/813217095.db2.gz ZQXSKVHZUJRGHX-SNVBAGLBSA-N 1 2 271.336 0.227 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001269101389 813217097 /nfs/dbraw/zinc/21/70/97/813217097.db2.gz ZQXSKVHZUJRGHX-SNVBAGLBSA-N 1 2 271.336 0.227 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001269103666 813217398 /nfs/dbraw/zinc/21/73/98/813217398.db2.gz AAAZFKCIYDAOQT-ZIAGYGMSSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001269103666 813217402 /nfs/dbraw/zinc/21/74/02/813217402.db2.gz AAAZFKCIYDAOQT-ZIAGYGMSSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001127045889 815601893 /nfs/dbraw/zinc/60/18/93/815601893.db2.gz JPQXROBMELJIGM-NXEZZACHSA-N 1 2 282.369 0.343 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001269202785 813261525 /nfs/dbraw/zinc/26/15/25/813261525.db2.gz AXFXODSURPEYEI-CYBMUJFWSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001269202785 813261529 /nfs/dbraw/zinc/26/15/29/813261529.db2.gz AXFXODSURPEYEI-CYBMUJFWSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269207952 813267104 /nfs/dbraw/zinc/26/71/04/813267104.db2.gz BLCVCDGYNYTIEG-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269207952 813267108 /nfs/dbraw/zinc/26/71/08/813267108.db2.gz BLCVCDGYNYTIEG-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001269236098 813283617 /nfs/dbraw/zinc/28/36/17/813283617.db2.gz VOOVJHZFPQBINM-NSHDSACASA-N 1 2 286.322 0.872 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001269236098 813283622 /nfs/dbraw/zinc/28/36/22/813283622.db2.gz VOOVJHZFPQBINM-NSHDSACASA-N 1 2 286.322 0.872 20 30 CCEDLO C=CCN1CC[C@@]2(CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001269298305 813314418 /nfs/dbraw/zinc/31/44/18/813314418.db2.gz GPCCXKMUUWMQAQ-HNNXBMFYSA-N 1 2 288.351 0.663 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccs1 ZINC001269338354 813330410 /nfs/dbraw/zinc/33/04/10/813330410.db2.gz PEJXGYAMYVVWSM-LLVKDONJSA-N 1 2 291.376 0.302 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccs1 ZINC001269338354 813330416 /nfs/dbraw/zinc/33/04/16/813330416.db2.gz PEJXGYAMYVVWSM-LLVKDONJSA-N 1 2 291.376 0.302 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001269805693 813514607 /nfs/dbraw/zinc/51/46/07/813514607.db2.gz LOMMVGGQJOSYRD-CYBMUJFWSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCCC(N)=O)C1 ZINC001270693445 813896283 /nfs/dbraw/zinc/89/62/83/813896283.db2.gz ZLTNRRGOLBKCMU-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCCCC(N)=O)C1 ZINC001270693445 813896297 /nfs/dbraw/zinc/89/62/97/813896297.db2.gz ZLTNRRGOLBKCMU-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001059250147 814008746 /nfs/dbraw/zinc/00/87/46/814008746.db2.gz FJNCZROTTNUJQA-XYPYZODXSA-N 1 2 297.322 0.304 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)CSCC#N)o1 ZINC001270896439 814056008 /nfs/dbraw/zinc/05/60/08/814056008.db2.gz RLMMJJJFYWVXOJ-SECBINFHSA-N 1 2 297.384 0.571 20 30 CCEDLO C[C@@H](CNCC#N)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001271148885 814211017 /nfs/dbraw/zinc/21/10/17/814211017.db2.gz WULMVFHSRSHBOW-LBPRGKRZSA-N 1 2 282.388 0.057 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001042532540 814319286 /nfs/dbraw/zinc/31/92/86/814319286.db2.gz ADPPQBPZOASFTL-GHMZBOCLSA-N 1 2 252.314 0.124 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)SC ZINC001271997828 814672291 /nfs/dbraw/zinc/67/22/91/814672291.db2.gz GKJQAXTYSDUKRH-LBPRGKRZSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H](C)SC ZINC001271997828 814672295 /nfs/dbraw/zinc/67/22/95/814672295.db2.gz GKJQAXTYSDUKRH-LBPRGKRZSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](O)C1 ZINC001083640521 815584750 /nfs/dbraw/zinc/58/47/50/815584750.db2.gz UOIFYFGTOCCXSN-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](O)C1 ZINC001083640521 815584757 /nfs/dbraw/zinc/58/47/57/815584757.db2.gz UOIFYFGTOCCXSN-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001038472225 814879732 /nfs/dbraw/zinc/87/97/32/814879732.db2.gz UTLJSALCAPCNEK-MRXNPFEDSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001038472225 814879735 /nfs/dbraw/zinc/87/97/35/814879735.db2.gz UTLJSALCAPCNEK-MRXNPFEDSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001030257780 815935496 /nfs/dbraw/zinc/93/54/96/815935496.db2.gz SVUWDRRPCOTOCU-AAEUAGOBSA-N 1 2 250.342 0.625 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060455399 816041081 /nfs/dbraw/zinc/04/10/81/816041081.db2.gz PXFOIBUYFOIQEG-UHFFFAOYSA-N 1 2 265.313 0.663 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3ncccc23)C1 ZINC001030453088 816044391 /nfs/dbraw/zinc/04/43/91/816044391.db2.gz VFNBPYQJQUYNGT-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2C(F)F)C1 ZINC001030454318 816045058 /nfs/dbraw/zinc/04/50/58/816045058.db2.gz XDWBWEUNIBRFIN-UHFFFAOYSA-N 1 2 282.294 0.795 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001045987793 816255733 /nfs/dbraw/zinc/25/57/33/816255733.db2.gz BUEKWCPWOAJPAT-GFCCVEGCSA-N 1 2 250.346 0.138 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001030833902 816328421 /nfs/dbraw/zinc/32/84/21/816328421.db2.gz DVHIHOQTKZSBTO-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001030837940 816332083 /nfs/dbraw/zinc/33/20/83/816332083.db2.gz NTZQZMOGBSGOAH-NSHDSACASA-N 1 2 260.341 0.957 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3c2nnn3C)C1 ZINC001030854204 816348509 /nfs/dbraw/zinc/34/85/09/816348509.db2.gz VIUYNHBKWVPCEZ-UHFFFAOYSA-N 1 2 286.339 0.353 20 30 CCEDLO C=C1CCC(C(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001030903350 816413110 /nfs/dbraw/zinc/41/31/10/816413110.db2.gz BZUXGNHUFYNNSS-UHFFFAOYSA-N 1 2 252.358 0.916 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCC)C[C@@]2(F)C1=O ZINC001272464403 816453080 /nfs/dbraw/zinc/45/30/80/816453080.db2.gz QRJHZNUXBYDMSE-QWHCGFSZSA-N 1 2 256.296 0.994 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCC)C[C@@]2(F)C1=O ZINC001272464403 816453082 /nfs/dbraw/zinc/45/30/82/816453082.db2.gz QRJHZNUXBYDMSE-QWHCGFSZSA-N 1 2 256.296 0.994 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001030931502 816454366 /nfs/dbraw/zinc/45/43/66/816454366.db2.gz KGRXMQJHVCSMNB-UHFFFAOYSA-N 1 2 299.374 0.542 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001030987542 816536418 /nfs/dbraw/zinc/53/64/18/816536418.db2.gz QBTPEYVIXNDXIT-ZYHUDNBSSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001031112928 816656418 /nfs/dbraw/zinc/65/64/18/816656418.db2.gz OOLMZYDTPPEMTA-UHFFFAOYSA-N 1 2 298.346 0.780 20 30 CCEDLO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001106362183 816747787 /nfs/dbraw/zinc/74/77/87/816747787.db2.gz JGXJPJFWRULZIJ-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001031216824 816827282 /nfs/dbraw/zinc/82/72/82/816827282.db2.gz APMSYKGGEBMLRK-OAHLLOKOSA-N 1 2 279.384 0.621 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](CC)OC)C2)nc1 ZINC001031278506 816923775 /nfs/dbraw/zinc/92/37/75/816923775.db2.gz OUJMAELGAHECEX-CQSZACIVSA-N 1 2 287.363 0.902 20 30 CCEDLO C=C(C)CN1C(=O)COCC12CN(Cc1[nH]c[nH+]c1C)C2 ZINC001272665116 817038826 /nfs/dbraw/zinc/03/88/26/817038826.db2.gz RXLQXOKMEKKJHW-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001031413321 817039817 /nfs/dbraw/zinc/03/98/17/817039817.db2.gz SEMPBQWMYOIIAD-AWEZNQCLSA-N 1 2 288.322 0.953 20 30 CCEDLO C=C(C)CN1CC2(CN(Cc3[nH]c[nH+]c3C)C2)OCC1=O ZINC001272665533 817051405 /nfs/dbraw/zinc/05/14/05/817051405.db2.gz ZOMKZRFBEGFGRS-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001031432230 817051551 /nfs/dbraw/zinc/05/15/51/817051551.db2.gz MJCUDZPHZSGXAO-UHFFFAOYSA-N 1 2 282.347 0.929 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554651 817130132 /nfs/dbraw/zinc/13/01/32/817130132.db2.gz FBHIWGAFFMBDDI-NSHDSACASA-N 1 2 274.748 0.202 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031744741 817309385 /nfs/dbraw/zinc/30/93/85/817309385.db2.gz PIPZTKLDNVWAMP-LLVKDONJSA-N 1 2 285.775 0.313 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001124483913 817486398 /nfs/dbraw/zinc/48/63/98/817486398.db2.gz PSEFGKBEJCLWLC-SNVBAGLBSA-N 1 2 284.385 0.725 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001031981268 817517580 /nfs/dbraw/zinc/51/75/80/817517580.db2.gz WTQYXOWUGGOWPV-NEPJUHHUSA-N 1 2 299.802 0.689 20 30 CCEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124896270 817621846 /nfs/dbraw/zinc/62/18/46/817621846.db2.gz NVEBJTQCJHOXQY-PSASIEDQSA-N 1 2 250.302 0.910 20 30 CCEDLO CCOc1nnc(C[NH2+]CCNC(=O)[C@@H](C)C#N)s1 ZINC001124908884 817634553 /nfs/dbraw/zinc/63/45/53/817634553.db2.gz UOVYESBXUUAKLQ-QMMMGPOBSA-N 1 2 283.357 0.302 20 30 CCEDLO C=CC[NH+]1CC(CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001032179383 817678003 /nfs/dbraw/zinc/67/80/03/817678003.db2.gz RZKPKGRHTHTJPE-UHFFFAOYSA-N 1 2 271.324 0.806 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)C)nn2)C1 ZINC001107133854 817786896 /nfs/dbraw/zinc/78/68/96/817786896.db2.gz YDNLJAUKALUNRC-UHFFFAOYSA-N 1 2 275.356 0.430 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107147419 817794228 /nfs/dbraw/zinc/79/42/28/817794228.db2.gz ZOLBCRPMFHCIHF-SNVBAGLBSA-N 1 2 274.328 0.097 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)/C=C/C3CC3)nn2)C1 ZINC001107153758 817796166 /nfs/dbraw/zinc/79/61/66/817796166.db2.gz NLVDRTCUPOCHFF-VOTSOKGWSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)/C(C)=C\C)nn2)C1 ZINC001107157536 817797726 /nfs/dbraw/zinc/79/77/26/817797726.db2.gz UDVZEBIZAPOSDV-XGICHPGQSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CCOCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127736662 817808853 /nfs/dbraw/zinc/80/88/53/817808853.db2.gz HZMPMHIYOOEVLY-MRVPVSSYSA-N 1 2 272.242 0.795 20 30 CCEDLO C=CCOCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127736662 817808864 /nfs/dbraw/zinc/80/88/64/817808864.db2.gz HZMPMHIYOOEVLY-MRVPVSSYSA-N 1 2 272.242 0.795 20 30 CCEDLO N#Cc1cnccc1NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001107240662 817816280 /nfs/dbraw/zinc/81/62/80/817816280.db2.gz QWVXWADBBCRUNP-UPHRSURJSA-N 1 2 296.334 0.356 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OC ZINC001032307421 817831165 /nfs/dbraw/zinc/83/11/65/817831165.db2.gz NAHLVFGZWQXQLD-AVGNSLFASA-N 1 2 250.342 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OC ZINC001032307421 817831172 /nfs/dbraw/zinc/83/11/72/817831172.db2.gz NAHLVFGZWQXQLD-AVGNSLFASA-N 1 2 250.342 0.720 20 30 CCEDLO N#Cc1cnccc1NC/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001107311211 817832761 /nfs/dbraw/zinc/83/27/61/817832761.db2.gz AZLWIUFUNPKLLZ-UPHRSURJSA-N 1 2 296.334 0.425 20 30 CCEDLO N#Cc1ccc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001107539116 817876444 /nfs/dbraw/zinc/87/64/44/817876444.db2.gz GGESGGPJXGDBOZ-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSC)C1 ZINC001107721307 817966510 /nfs/dbraw/zinc/96/65/10/817966510.db2.gz XCOBYOBAYNFRFA-LBPRGKRZSA-N 1 2 258.387 0.743 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CSC)C1 ZINC001107721307 817966515 /nfs/dbraw/zinc/96/65/15/817966515.db2.gz XCOBYOBAYNFRFA-LBPRGKRZSA-N 1 2 258.387 0.743 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001077677522 817981802 /nfs/dbraw/zinc/98/18/02/817981802.db2.gz QPCIQEBFQTZNCQ-UWVGGRQHSA-N 1 2 291.355 0.431 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001107799496 818019743 /nfs/dbraw/zinc/01/97/43/818019743.db2.gz GDIKLPNGNUITDG-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001107799496 818019750 /nfs/dbraw/zinc/01/97/50/818019750.db2.gz GDIKLPNGNUITDG-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)nc1 ZINC001032815897 818047535 /nfs/dbraw/zinc/04/75/35/818047535.db2.gz SOKXOATTZBLKJE-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)nc1 ZINC001032815897 818047539 /nfs/dbraw/zinc/04/75/39/818047539.db2.gz SOKXOATTZBLKJE-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128264711 818138682 /nfs/dbraw/zinc/13/86/82/818138682.db2.gz PPZKBKXKMRLVAW-SNVBAGLBSA-N 1 2 261.329 0.494 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128264711 818138689 /nfs/dbraw/zinc/13/86/89/818138689.db2.gz PPZKBKXKMRLVAW-SNVBAGLBSA-N 1 2 261.329 0.494 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032927528 818361782 /nfs/dbraw/zinc/36/17/82/818361782.db2.gz GKIBEHSMNHWKJY-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032927528 818361790 /nfs/dbraw/zinc/36/17/90/818361790.db2.gz GKIBEHSMNHWKJY-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)COC)C1 ZINC001108071648 818537917 /nfs/dbraw/zinc/53/79/17/818537917.db2.gz VIJODGZDLKLOJE-INIZCTEOSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)COC)C1 ZINC001108071648 818537921 /nfs/dbraw/zinc/53/79/21/818537921.db2.gz VIJODGZDLKLOJE-INIZCTEOSA-N 1 2 296.411 0.889 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2COC)[C@@H](O)C1 ZINC001083844779 818579326 /nfs/dbraw/zinc/57/93/26/818579326.db2.gz WSKLRHPVVGJNHG-KOLCDFICSA-N 1 2 297.380 0.250 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2COC)[C@@H](O)C1 ZINC001083844779 818579332 /nfs/dbraw/zinc/57/93/32/818579332.db2.gz WSKLRHPVVGJNHG-KOLCDFICSA-N 1 2 297.380 0.250 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](CCN(C)C)C2 ZINC001273107431 818619490 /nfs/dbraw/zinc/61/94/90/818619490.db2.gz AAWWAYFGQZPJMB-OAHLLOKOSA-N 1 2 281.400 0.285 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](CCN(C)C)C2 ZINC001273107431 818619496 /nfs/dbraw/zinc/61/94/96/818619496.db2.gz AAWWAYFGQZPJMB-OAHLLOKOSA-N 1 2 281.400 0.285 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090130507 818690720 /nfs/dbraw/zinc/69/07/20/818690720.db2.gz XZQSKUNSMORMNS-RYUDHWBXSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090130507 818690725 /nfs/dbraw/zinc/69/07/25/818690725.db2.gz XZQSKUNSMORMNS-RYUDHWBXSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033389698 818755442 /nfs/dbraw/zinc/75/54/42/818755442.db2.gz SZMRZORDWTVNGH-RISCZKNCSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033389698 818755447 /nfs/dbraw/zinc/75/54/47/818755447.db2.gz SZMRZORDWTVNGH-RISCZKNCSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495180 818801654 /nfs/dbraw/zinc/80/16/54/818801654.db2.gz PQGFCGPWWZXHPK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495180 818801658 /nfs/dbraw/zinc/80/16/58/818801658.db2.gz PQGFCGPWWZXHPK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992255 819025002 /nfs/dbraw/zinc/02/50/02/819025002.db2.gz HLSFODYSZIZXKN-LLVKDONJSA-N 1 2 261.329 0.364 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992255 819025011 /nfs/dbraw/zinc/02/50/11/819025011.db2.gz HLSFODYSZIZXKN-LLVKDONJSA-N 1 2 261.329 0.364 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001034200338 819123345 /nfs/dbraw/zinc/12/33/45/819123345.db2.gz NXCJDGCPZFPWSL-LBPRGKRZSA-N 1 2 275.356 0.260 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001034200338 819123346 /nfs/dbraw/zinc/12/33/46/819123346.db2.gz NXCJDGCPZFPWSL-LBPRGKRZSA-N 1 2 275.356 0.260 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@@H](n2ccnn2)C1 ZINC001128920559 819157727 /nfs/dbraw/zinc/15/77/27/819157727.db2.gz XTQAZRVDUYVATN-KYYFYTAESA-N 1 2 287.367 0.609 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@@H](n2ccnn2)C1 ZINC001128920559 819157733 /nfs/dbraw/zinc/15/77/33/819157733.db2.gz XTQAZRVDUYVATN-KYYFYTAESA-N 1 2 287.367 0.609 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108128515 819219032 /nfs/dbraw/zinc/21/90/32/819219032.db2.gz CGMLLRZQOAHYQW-TZMCWYRMSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108128515 819219036 /nfs/dbraw/zinc/21/90/36/819219036.db2.gz CGMLLRZQOAHYQW-TZMCWYRMSA-N 1 2 270.348 0.965 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035260840 819426454 /nfs/dbraw/zinc/42/64/54/819426454.db2.gz OXBQGNCKEAMAIH-LBPRGKRZSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035260840 819426458 /nfs/dbraw/zinc/42/64/58/819426458.db2.gz OXBQGNCKEAMAIH-LBPRGKRZSA-N 1 2 261.325 0.698 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035299339 819452080 /nfs/dbraw/zinc/45/20/80/819452080.db2.gz BPSTYFPLPURFBT-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035299339 819452082 /nfs/dbraw/zinc/45/20/82/819452082.db2.gz BPSTYFPLPURFBT-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnns2)C1 ZINC001035310883 819461662 /nfs/dbraw/zinc/46/16/62/819461662.db2.gz OHOHEDRQOQWWMU-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnns2)C1 ZINC001035310883 819461665 /nfs/dbraw/zinc/46/16/65/819461665.db2.gz OHOHEDRQOQWWMU-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ocnc2C)C1 ZINC001035321644 819468371 /nfs/dbraw/zinc/46/83/71/819468371.db2.gz BLYMIBSMAPTCCU-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ocnc2C)C1 ZINC001035321644 819468377 /nfs/dbraw/zinc/46/83/77/819468377.db2.gz BLYMIBSMAPTCCU-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035325630 819472097 /nfs/dbraw/zinc/47/20/97/819472097.db2.gz GPZHUJIGZDMQSH-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035325630 819472100 /nfs/dbraw/zinc/47/21/00/819472100.db2.gz GPZHUJIGZDMQSH-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2CC)C1 ZINC001035346811 819485280 /nfs/dbraw/zinc/48/52/80/819485280.db2.gz NMLHJMJBIPLCGO-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnn2CC)C1 ZINC001035346811 819485285 /nfs/dbraw/zinc/48/52/85/819485285.db2.gz NMLHJMJBIPLCGO-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001035370669 819494223 /nfs/dbraw/zinc/49/42/23/819494223.db2.gz PLROERDAMYEUNS-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001035370669 819494228 /nfs/dbraw/zinc/49/42/28/819494228.db2.gz PLROERDAMYEUNS-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2CC)C1 ZINC001035428525 819513462 /nfs/dbraw/zinc/51/34/62/819513462.db2.gz YQTRARZNQKUUMN-GFCCVEGCSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2CC)C1 ZINC001035428525 819513467 /nfs/dbraw/zinc/51/34/67/819513467.db2.gz YQTRARZNQKUUMN-GFCCVEGCSA-N 1 2 292.383 0.599 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431094 819522901 /nfs/dbraw/zinc/52/29/01/819522901.db2.gz FQNKUUJOIZCCJG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431094 819522910 /nfs/dbraw/zinc/52/29/10/819522910.db2.gz FQNKUUJOIZCCJG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001035471895 819529283 /nfs/dbraw/zinc/52/92/83/819529283.db2.gz XBBSMISQPHSHQF-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001035471895 819529285 /nfs/dbraw/zinc/52/92/85/819529285.db2.gz XBBSMISQPHSHQF-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035600020 819574819 /nfs/dbraw/zinc/57/48/19/819574819.db2.gz JZPCQQNYSQQFKB-LBPRGKRZSA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035600020 819574826 /nfs/dbraw/zinc/57/48/26/819574826.db2.gz JZPCQQNYSQQFKB-LBPRGKRZSA-N 1 2 277.324 0.404 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)[C@H](C)C1 ZINC001036273435 819718930 /nfs/dbraw/zinc/71/89/30/819718930.db2.gz GSGLQLURJDYNLK-ZYHUDNBSSA-N 1 2 275.356 0.611 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](O)C1 ZINC001083921877 820269889 /nfs/dbraw/zinc/26/98/89/820269889.db2.gz YINSFKFRUGTJEQ-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](O)C1 ZINC001083921877 820269896 /nfs/dbraw/zinc/26/98/96/820269896.db2.gz YINSFKFRUGTJEQ-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 ZINC001081438042 820774215 /nfs/dbraw/zinc/77/42/15/820774215.db2.gz RXNOQFAHCMSANK-MWLCHTKSSA-N 1 2 265.338 0.205 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 ZINC001081438042 820774220 /nfs/dbraw/zinc/77/42/20/820774220.db2.gz RXNOQFAHCMSANK-MWLCHTKSSA-N 1 2 265.338 0.205 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](OC)C1 ZINC001081648289 820809708 /nfs/dbraw/zinc/80/97/08/820809708.db2.gz PCGVNBBKKNXUTQ-VXGBXAGGSA-N 1 2 276.340 0.170 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](OC)C1 ZINC001081648289 820809723 /nfs/dbraw/zinc/80/97/23/820809723.db2.gz PCGVNBBKKNXUTQ-VXGBXAGGSA-N 1 2 276.340 0.170 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](OC)C1 ZINC001081784156 820828969 /nfs/dbraw/zinc/82/89/69/820828969.db2.gz HRMGCAPYDSQVSZ-ZIAGYGMSSA-N 1 2 287.363 0.954 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](OC)C1 ZINC001081784156 820828970 /nfs/dbraw/zinc/82/89/70/820828970.db2.gz HRMGCAPYDSQVSZ-ZIAGYGMSSA-N 1 2 287.363 0.954 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@H](OC)C1 ZINC001081945080 820865988 /nfs/dbraw/zinc/86/59/88/820865988.db2.gz WHPCKJWWUZLNSO-MWLCHTKSSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@H](OC)C1 ZINC001081945080 820865995 /nfs/dbraw/zinc/86/59/95/820865995.db2.gz WHPCKJWWUZLNSO-MWLCHTKSSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H](OC)C1 ZINC001081940239 820866679 /nfs/dbraw/zinc/86/66/79/820866679.db2.gz BZHAIUXWBPVHSE-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H](OC)C1 ZINC001081940239 820866692 /nfs/dbraw/zinc/86/66/92/820866692.db2.gz BZHAIUXWBPVHSE-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@H](OC)C1 ZINC001082099439 820897313 /nfs/dbraw/zinc/89/73/13/820897313.db2.gz WHTFVJSIZXZHQA-CHWSQXEVSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@H](OC)C1 ZINC001082099439 820897323 /nfs/dbraw/zinc/89/73/23/820897323.db2.gz WHTFVJSIZXZHQA-CHWSQXEVSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@H](OC)C1 ZINC001082233971 820919577 /nfs/dbraw/zinc/91/95/77/820919577.db2.gz VPXREHYJOKWASD-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@H](OC)C1 ZINC001082233971 820919579 /nfs/dbraw/zinc/91/95/79/820919579.db2.gz VPXREHYJOKWASD-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 ZINC001082306424 820933852 /nfs/dbraw/zinc/93/38/52/820933852.db2.gz BJISTVHUBUDYCU-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 ZINC001082306424 820933859 /nfs/dbraw/zinc/93/38/59/820933859.db2.gz BJISTVHUBUDYCU-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC=CC3)[C@H]2C1 ZINC001083031826 821116181 /nfs/dbraw/zinc/11/61/81/821116181.db2.gz STRJLEPIBUGOGG-UONOGXRCSA-N 1 2 260.337 0.497 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC=CC3)[C@H]2C1 ZINC001083031826 821116187 /nfs/dbraw/zinc/11/61/87/821116187.db2.gz STRJLEPIBUGOGG-UONOGXRCSA-N 1 2 260.337 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](O)C1 ZINC001083979698 821164784 /nfs/dbraw/zinc/16/47/84/821164784.db2.gz LLHCGVBIPBSJGB-BDAKNGLRSA-N 1 2 283.715 0.126 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](O)C1 ZINC001083979698 821164794 /nfs/dbraw/zinc/16/47/94/821164794.db2.gz LLHCGVBIPBSJGB-BDAKNGLRSA-N 1 2 283.715 0.126 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc3ccccc32)[C@@H](O)C1 ZINC001084084311 821194583 /nfs/dbraw/zinc/19/45/83/821194583.db2.gz OSIKJCURHOVMSP-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc3ccccc32)[C@@H](O)C1 ZINC001084084311 821194587 /nfs/dbraw/zinc/19/45/87/821194587.db2.gz OSIKJCURHOVMSP-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@@H](O)C1 ZINC001084104782 821201731 /nfs/dbraw/zinc/20/17/31/821201731.db2.gz GERUXNBBKRMLNI-IQXANGCESA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@@H](O)C1 ZINC001084104782 821201735 /nfs/dbraw/zinc/20/17/35/821201735.db2.gz GERUXNBBKRMLNI-IQXANGCESA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001084184043 821228807 /nfs/dbraw/zinc/22/88/07/821228807.db2.gz VUHJVPJAXNBWGX-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001084184043 821228814 /nfs/dbraw/zinc/22/88/14/821228814.db2.gz VUHJVPJAXNBWGX-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318272 821269123 /nfs/dbraw/zinc/26/91/23/821269123.db2.gz RDBQCHRSLUTPTA-OUAUKWLOSA-N 1 2 299.758 0.380 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318272 821269132 /nfs/dbraw/zinc/26/91/32/821269132.db2.gz RDBQCHRSLUTPTA-OUAUKWLOSA-N 1 2 299.758 0.380 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084630790 821329321 /nfs/dbraw/zinc/32/93/21/821329321.db2.gz VJOJJCZUUPRFIZ-IOASZLSFSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084630790 821329330 /nfs/dbraw/zinc/32/93/30/821329330.db2.gz VJOJJCZUUPRFIZ-IOASZLSFSA-N 1 2 293.411 0.867 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099821435 821367215 /nfs/dbraw/zinc/36/72/15/821367215.db2.gz UYZMCBTYWBZPHV-NWDGAFQWSA-N 1 2 256.321 0.167 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099821435 821367218 /nfs/dbraw/zinc/36/72/18/821367218.db2.gz UYZMCBTYWBZPHV-NWDGAFQWSA-N 1 2 256.321 0.167 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000820356425 821442761 /nfs/dbraw/zinc/44/27/61/821442761.db2.gz OSPLYLFASZEJFE-ZDUSSCGKSA-N 1 2 290.367 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085468338 821723925 /nfs/dbraw/zinc/72/39/25/821723925.db2.gz NTJYLCIDFIYBAP-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085468338 821723930 /nfs/dbraw/zinc/72/39/30/821723930.db2.gz NTJYLCIDFIYBAP-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520702 821765630 /nfs/dbraw/zinc/76/56/30/821765630.db2.gz VUCVPOKEAUZVCL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520702 821765634 /nfs/dbraw/zinc/76/56/34/821765634.db2.gz VUCVPOKEAUZVCL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001085636059 821865761 /nfs/dbraw/zinc/86/57/61/821865761.db2.gz HMQSJBVRBPCFPK-CYBMUJFWSA-N 1 2 287.363 0.867 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001085636059 821865765 /nfs/dbraw/zinc/86/57/65/821865765.db2.gz HMQSJBVRBPCFPK-CYBMUJFWSA-N 1 2 287.363 0.867 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]nc1C ZINC001085758991 821936639 /nfs/dbraw/zinc/93/66/39/821936639.db2.gz WBQMJSPFWNDVAU-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]nc1C ZINC001085758991 821936642 /nfs/dbraw/zinc/93/66/42/821936642.db2.gz WBQMJSPFWNDVAU-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC001085837895 821973072 /nfs/dbraw/zinc/97/30/72/821973072.db2.gz UWKWOUYYBJYRNL-ZDUSSCGKSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC001085837895 821973078 /nfs/dbraw/zinc/97/30/78/821973078.db2.gz UWKWOUYYBJYRNL-ZDUSSCGKSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC001085980791 822048755 /nfs/dbraw/zinc/04/87/55/822048755.db2.gz XZGSUKKTWBRGMR-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC001085980791 822048762 /nfs/dbraw/zinc/04/87/62/822048762.db2.gz XZGSUKKTWBRGMR-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108231176 822062767 /nfs/dbraw/zinc/06/27/67/822062767.db2.gz NIXLYDJREZAIMG-FMKPAKJESA-N 1 2 294.395 0.784 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108231176 822062775 /nfs/dbraw/zinc/06/27/75/822062775.db2.gz NIXLYDJREZAIMG-FMKPAKJESA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086002314 822065458 /nfs/dbraw/zinc/06/54/58/822065458.db2.gz GIQKBGYYDIGDNH-CYBMUJFWSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086002314 822065466 /nfs/dbraw/zinc/06/54/66/822065466.db2.gz GIQKBGYYDIGDNH-CYBMUJFWSA-N 1 2 274.368 0.762 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nonc2C)C1 ZINC001108314019 822354083 /nfs/dbraw/zinc/35/40/83/822354083.db2.gz JEXQYMPOPJLMSG-AWEZNQCLSA-N 1 2 294.355 0.314 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nonc2C)C1 ZINC001108314019 822354087 /nfs/dbraw/zinc/35/40/87/822354087.db2.gz JEXQYMPOPJLMSG-AWEZNQCLSA-N 1 2 294.355 0.314 20 30 CCEDLO CCn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114067303 837420691 /nfs/dbraw/zinc/42/06/91/837420691.db2.gz QBTYROZETOPPLP-SCUASFONSA-N 1 2 287.367 0.609 20 30 CCEDLO CCn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114067303 837420696 /nfs/dbraw/zinc/42/06/96/837420696.db2.gz QBTYROZETOPPLP-SCUASFONSA-N 1 2 287.367 0.609 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114067433 837422166 /nfs/dbraw/zinc/42/21/66/837422166.db2.gz RUWVRNAEPOPMMB-DCQANWLSSA-N 1 2 271.324 0.183 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114067433 837422171 /nfs/dbraw/zinc/42/21/71/837422171.db2.gz RUWVRNAEPOPMMB-DCQANWLSSA-N 1 2 271.324 0.183 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114198809 837473629 /nfs/dbraw/zinc/47/36/29/837473629.db2.gz JDICTMFUOASXSR-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114198809 837473637 /nfs/dbraw/zinc/47/36/37/837473637.db2.gz JDICTMFUOASXSR-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001129502752 837516248 /nfs/dbraw/zinc/51/62/48/837516248.db2.gz MOVSPWBRUQILIJ-UHFFFAOYSA-N 1 2 275.312 0.577 20 30 CCEDLO C#Cc1cncc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001129648858 837543818 /nfs/dbraw/zinc/54/38/18/837543818.db2.gz AFHLITLTNBNZLB-UHFFFAOYSA-N 1 2 254.293 0.769 20 30 CCEDLO N#Cc1ccnnc1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183931646 844112609 /nfs/dbraw/zinc/11/26/09/844112609.db2.gz LAZCTBHVDQZIFR-UHFFFAOYSA-N 1 2 268.280 0.897 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001108430720 836078490 /nfs/dbraw/zinc/07/84/90/836078490.db2.gz JDSZFEDOHDMJRY-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964484 836088333 /nfs/dbraw/zinc/08/83/33/836088333.db2.gz TZFRQGNHEFLQTL-UTLUCORTSA-N 1 2 276.358 0.883 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989753 836103581 /nfs/dbraw/zinc/10/35/81/836103581.db2.gz WQGSHVPFEXYJLW-VWYCJHECSA-N 1 2 254.286 0.586 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(F)cc2C#N)C[NH2+]1 ZINC001156242959 836108161 /nfs/dbraw/zinc/10/81/61/836108161.db2.gz OUHORKWVPLCFOJ-UWVGGRQHSA-N 1 2 264.260 0.408 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)ccc2C#N)C[NH2+]1 ZINC001169124069 836139582 /nfs/dbraw/zinc/13/95/82/836139582.db2.gz QLDXZIJLRKGHHF-BDAKNGLRSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(OC)c(CC#N)n2)C[NH2+]1 ZINC001169129432 836145655 /nfs/dbraw/zinc/14/56/55/836145655.db2.gz HNMPAGNNVRNIIY-KOLCDFICSA-N 1 2 290.323 0.472 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](O)C(F)(F)F)CC1 ZINC001184037583 844140258 /nfs/dbraw/zinc/14/02/58/844140258.db2.gz WVQQOUUCDIIGQT-SECBINFHSA-N 1 2 266.263 0.630 20 30 CCEDLO N#CC1(c2cc[nH+]c(NC[C@@H]3CNC(=O)CO3)c2)CC1 ZINC001169275029 836182340 /nfs/dbraw/zinc/18/23/40/836182340.db2.gz NWTYZXNVEXDSLY-LLVKDONJSA-N 1 2 272.308 0.564 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCOCC)CC2=O)C1 ZINC001108522531 836414673 /nfs/dbraw/zinc/41/46/73/836414673.db2.gz ULXASSDIRGBSJT-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108541405 836434382 /nfs/dbraw/zinc/43/43/82/836434382.db2.gz VQPNYIRHQUYAOO-ZDUSSCGKSA-N 1 2 289.379 0.377 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCF)CC2=O)C1 ZINC001108565045 836447085 /nfs/dbraw/zinc/44/70/85/836447085.db2.gz UGIBLDOTHMDYBR-NSHDSACASA-N 1 2 283.347 0.323 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(CF)CC3)CC2=O)C1 ZINC001108571596 836471100 /nfs/dbraw/zinc/47/11/00/836471100.db2.gz GHVXRQQFZXVBPC-LLVKDONJSA-N 1 2 295.358 0.323 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(CC)CC3)CC2=O)C1 ZINC001108572663 836472181 /nfs/dbraw/zinc/47/21/81/836472181.db2.gz XYJHEAUFEVSDLX-GFCCVEGCSA-N 1 2 291.395 0.764 20 30 CCEDLO Cc1cc(NC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001108718844 836515110 /nfs/dbraw/zinc/51/51/10/836515110.db2.gz XFCRPQMNZYBLKX-NSHDSACASA-N 1 2 298.350 0.566 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718630 836515648 /nfs/dbraw/zinc/51/56/48/836515648.db2.gz MKWJDTIRKUECJK-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109015048 836599077 /nfs/dbraw/zinc/59/90/77/836599077.db2.gz TYXKQOZGPXYXGI-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC=C)C2 ZINC001109045756 836602378 /nfs/dbraw/zinc/60/23/78/836602378.db2.gz BYAIUAVFZSMKLG-RDBSUJKOSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC=C)C2 ZINC001109045756 836602382 /nfs/dbraw/zinc/60/23/82/836602382.db2.gz BYAIUAVFZSMKLG-RDBSUJKOSA-N 1 2 289.379 0.424 20 30 CCEDLO C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109057722 836610612 /nfs/dbraw/zinc/61/06/12/836610612.db2.gz OLCLKPXKWOTWRC-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CCCC#CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001184275741 844204096 /nfs/dbraw/zinc/20/40/96/844204096.db2.gz GDMYSORLEYQDHU-UHFFFAOYSA-N 1 2 250.342 0.771 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001112867483 836946716 /nfs/dbraw/zinc/94/67/16/836946716.db2.gz SCOIHUZJPQDBMZ-ZFWWWQNUSA-N 1 2 280.368 0.370 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1nccnc1C#N ZINC001113083411 837017066 /nfs/dbraw/zinc/01/70/66/837017066.db2.gz ZLJORNJNVRSYJE-MNOVXSKESA-N 1 2 299.338 0.550 20 30 CCEDLO C#CCCCCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113205681 837054499 /nfs/dbraw/zinc/05/44/99/837054499.db2.gz YPULPVALMGVNDC-UHFFFAOYSA-N 1 2 296.411 0.723 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113225984 837061798 /nfs/dbraw/zinc/06/17/98/837061798.db2.gz FLEXWKLVEZIYDB-UHFFFAOYSA-N 1 2 282.384 0.333 20 30 CCEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCO)CC2)CCC1 ZINC001113310558 837085391 /nfs/dbraw/zinc/08/53/91/837085391.db2.gz KIFARFNJIBYHMB-UHFFFAOYSA-N 1 2 296.411 0.886 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001113434599 837117008 /nfs/dbraw/zinc/11/70/08/837117008.db2.gz QOAWZDSIDHJCHS-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001113458145 837119560 /nfs/dbraw/zinc/11/95/60/837119560.db2.gz VBZSEAWPNOITBZ-HNNXBMFYSA-N 1 2 282.384 0.760 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC001113605339 837174305 /nfs/dbraw/zinc/17/43/05/837174305.db2.gz XALQNJNRHLTCGF-UHFFFAOYSA-N 1 2 293.392 0.808 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC001113668542 837191665 /nfs/dbraw/zinc/19/16/65/837191665.db2.gz NJQWKIPMCLUKBL-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C=CCNC(=O)NC(C)(C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001113682835 837193854 /nfs/dbraw/zinc/19/38/54/837193854.db2.gz UGMIJZUTYAPUPR-UHFFFAOYSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1cnc(C#N)cn1 ZINC001113696249 837197820 /nfs/dbraw/zinc/19/78/20/837197820.db2.gz VGIPJMVEBXKVII-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113712502 837202226 /nfs/dbraw/zinc/20/22/26/837202226.db2.gz AQHXSTNANSUYAR-ZDUSSCGKSA-N 1 2 293.371 0.013 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cnc(CC#N)nc1 ZINC001170339080 837320513 /nfs/dbraw/zinc/32/05/13/837320513.db2.gz GQKAWHMKVRNVNV-UHFFFAOYSA-N 1 2 258.285 0.244 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131646496 838166249 /nfs/dbraw/zinc/16/62/49/838166249.db2.gz WKKIMKSMSIQXCW-IUODEOHRSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131646496 838166253 /nfs/dbraw/zinc/16/62/53/838166253.db2.gz WKKIMKSMSIQXCW-IUODEOHRSA-N 1 2 295.383 0.130 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131747386 838204309 /nfs/dbraw/zinc/20/43/09/838204309.db2.gz KYMIQCVQOIRYCF-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131747386 838204318 /nfs/dbraw/zinc/20/43/18/838204318.db2.gz KYMIQCVQOIRYCF-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131898860 838261685 /nfs/dbraw/zinc/26/16/85/838261685.db2.gz GJOUJHINSZZRMM-OLZOCXBDSA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131898860 838261695 /nfs/dbraw/zinc/26/16/95/838261695.db2.gz GJOUJHINSZZRMM-OLZOCXBDSA-N 1 2 292.383 0.561 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(N)=O ZINC001132033876 838301904 /nfs/dbraw/zinc/30/19/04/838301904.db2.gz MJNVXZURKNRIKL-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(N)=O ZINC001132033876 838301910 /nfs/dbraw/zinc/30/19/10/838301910.db2.gz MJNVXZURKNRIKL-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132054982 838307826 /nfs/dbraw/zinc/30/78/26/838307826.db2.gz VUZKEGFZXRWHCS-NWDGAFQWSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132054982 838307834 /nfs/dbraw/zinc/30/78/34/838307834.db2.gz VUZKEGFZXRWHCS-NWDGAFQWSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)CCS(C)(=O)=O)CC[C@@H]1C ZINC001132141975 838328405 /nfs/dbraw/zinc/32/84/05/838328405.db2.gz WIAXZWGGMVBICX-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)CCS(C)(=O)=O)CC[C@@H]1C ZINC001132141975 838328408 /nfs/dbraw/zinc/32/84/08/838328408.db2.gz WIAXZWGGMVBICX-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132402240 838385800 /nfs/dbraw/zinc/38/58/00/838385800.db2.gz NEIYTKXSEYENCO-UHFFFAOYSA-N 1 2 252.318 0.796 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001132591187 838445465 /nfs/dbraw/zinc/44/54/65/838445465.db2.gz IWXIXNBJPOLRFY-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNCC#N ZINC001133240870 838581526 /nfs/dbraw/zinc/58/15/26/838581526.db2.gz BIHMIHPIWKDPHK-QWHCGFSZSA-N 1 2 289.383 0.560 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001133381146 838614939 /nfs/dbraw/zinc/61/49/39/838614939.db2.gz XHHZPANVQOIPNR-LBPRGKRZSA-N 1 2 252.318 0.878 20 30 CCEDLO N#Cc1ccc(C[NH2+]CCNC(=O)c2nc[nH]n2)c(F)c1 ZINC001135520168 839271910 /nfs/dbraw/zinc/27/19/10/839271910.db2.gz HJCAXPJZKJPCIQ-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1CNCC#N ZINC001185502277 844426280 /nfs/dbraw/zinc/42/62/80/844426280.db2.gz LHHJEYAGRPRAHA-OLZOCXBDSA-N 1 2 289.383 0.560 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)nc1 ZINC001144163194 839966189 /nfs/dbraw/zinc/96/61/89/839966189.db2.gz UCDGPNFNKFVSLW-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)nc1 ZINC001144163194 839966193 /nfs/dbraw/zinc/96/61/93/839966193.db2.gz UCDGPNFNKFVSLW-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1cc(N)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1C#N ZINC001186046908 844496926 /nfs/dbraw/zinc/49/69/26/844496926.db2.gz HEIUQJDJAULOJS-LLVKDONJSA-N 1 2 285.307 0.017 20 30 CCEDLO N#Cc1cc(N)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1C#N ZINC001186046908 844496930 /nfs/dbraw/zinc/49/69/30/844496930.db2.gz HEIUQJDJAULOJS-LLVKDONJSA-N 1 2 285.307 0.017 20 30 CCEDLO N#Cc1cc(NC(=O)C[N@H+]2CC[C@H](O)C2)ccc1O ZINC001186051671 844501347 /nfs/dbraw/zinc/50/13/47/844501347.db2.gz YDCNEWDYANKBDX-NSHDSACASA-N 1 2 261.281 0.269 20 30 CCEDLO N#Cc1cc(NC(=O)C[N@@H+]2CC[C@H](O)C2)ccc1O ZINC001186051671 844501353 /nfs/dbraw/zinc/50/13/53/844501353.db2.gz YDCNEWDYANKBDX-NSHDSACASA-N 1 2 261.281 0.269 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091545241 840263707 /nfs/dbraw/zinc/26/37/07/840263707.db2.gz MTAWBXKZPMOPEN-GYSYKLTISA-N 1 2 289.339 0.510 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091545241 840263718 /nfs/dbraw/zinc/26/37/18/840263718.db2.gz MTAWBXKZPMOPEN-GYSYKLTISA-N 1 2 289.339 0.510 20 30 CCEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001093233832 841183113 /nfs/dbraw/zinc/18/31/13/841183113.db2.gz DICXFFIVXJXTTG-GOONRYMUSA-N 1 2 271.324 0.496 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851450 841395230 /nfs/dbraw/zinc/39/52/30/841395230.db2.gz LVUZOVPWFRLJQL-VXGBXAGGSA-N 1 2 273.340 0.399 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CCN2CC#N)C1 ZINC001036866372 841438904 /nfs/dbraw/zinc/43/89/04/841438904.db2.gz DLAFNVQMIXJPOW-JSGCOSHPSA-N 1 2 287.367 0.409 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1nccnc1C#N ZINC001094301993 841604253 /nfs/dbraw/zinc/60/42/53/841604253.db2.gz NWIWNYZFCPCAEW-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CCN2CC#N)C1 ZINC001036879292 841641744 /nfs/dbraw/zinc/64/17/44/841641744.db2.gz KUQRHFOAPWBGOR-JSGCOSHPSA-N 1 2 287.367 0.707 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C3CC3)CC2=O)C1 ZINC001094723256 841713570 /nfs/dbraw/zinc/71/35/70/841713570.db2.gz GKPQFCOMXSTZOE-AAEUAGOBSA-N 1 2 291.395 0.620 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586519 842115011 /nfs/dbraw/zinc/11/50/11/842115011.db2.gz NGOSHIVTILAJIS-OHTBPHCPSA-N 1 2 294.351 0.963 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586519 842115013 /nfs/dbraw/zinc/11/50/13/842115013.db2.gz NGOSHIVTILAJIS-OHTBPHCPSA-N 1 2 294.351 0.963 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)C#Cc1ccccn1 ZINC001177806114 842683041 /nfs/dbraw/zinc/68/30/41/842683041.db2.gz UZUNZUKEYLRPAH-UHFFFAOYSA-N 1 2 284.319 0.592 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(NC=O)n2)CC1 ZINC001178031322 842748121 /nfs/dbraw/zinc/74/81/21/842748121.db2.gz IRXFVSPMOWWUER-UHFFFAOYSA-N 1 2 294.380 0.584 20 30 CCEDLO Cn1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C#N)n1 ZINC001178101150 842756738 /nfs/dbraw/zinc/75/67/38/842756738.db2.gz QYEXGNSTWLLCNC-SECBINFHSA-N 1 2 270.296 0.689 20 30 CCEDLO N#Cc1nc[nH]c1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101347 842756887 /nfs/dbraw/zinc/75/68/87/842756887.db2.gz WHZRZWIUNOVZLD-MRVPVSSYSA-N 1 2 256.269 0.679 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119212 842763994 /nfs/dbraw/zinc/76/39/94/842763994.db2.gz KXSPMKIAHHQIFF-LBPRGKRZSA-N 1 2 290.367 0.644 20 30 CCEDLO C=CCn1cc(C(=O)NCc2c[nH+]c(CC)[nH]2)nn1 ZINC001178669829 842893762 /nfs/dbraw/zinc/89/37/62/842893762.db2.gz NNSNCRZBAGZFAV-UHFFFAOYSA-N 1 2 260.301 0.680 20 30 CCEDLO C=CCn1cc(C(=O)NCc2c[nH]c(CC)[nH+]2)nn1 ZINC001178669829 842893770 /nfs/dbraw/zinc/89/37/70/842893770.db2.gz NNSNCRZBAGZFAV-UHFFFAOYSA-N 1 2 260.301 0.680 20 30 CCEDLO N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001181096668 843399639 /nfs/dbraw/zinc/39/96/39/843399639.db2.gz AGWYQYQDBANMJE-SECBINFHSA-N 1 2 297.409 0.485 20 30 CCEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)n1nc(N)c(C#N)c1N ZINC001181993039 843666792 /nfs/dbraw/zinc/66/67/92/843666792.db2.gz LDHKVDQSIGRIGK-SECBINFHSA-N 1 2 262.317 0.434 20 30 CCEDLO CC[N@H+]1CCCC[C@@H]1C(=O)n1nc(N)c(C#N)c1N ZINC001181993039 843666794 /nfs/dbraw/zinc/66/67/94/843666794.db2.gz LDHKVDQSIGRIGK-SECBINFHSA-N 1 2 262.317 0.434 20 30 CCEDLO COCC#CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001187127782 844654915 /nfs/dbraw/zinc/65/49/15/844654915.db2.gz FQTUYIQIMUSVDO-LBPRGKRZSA-N 1 2 286.322 0.968 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001188310319 844864552 /nfs/dbraw/zinc/86/45/52/844864552.db2.gz SJTWBFSTXJUNIL-ZYHUDNBSSA-N 1 2 294.355 0.660 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001190095657 845321661 /nfs/dbraw/zinc/32/16/61/845321661.db2.gz VPPDSFYFVUUCDL-GXTWGEPZSA-N 1 2 291.351 0.746 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190095657 845321675 /nfs/dbraw/zinc/32/16/75/845321675.db2.gz VPPDSFYFVUUCDL-GXTWGEPZSA-N 1 2 291.351 0.746 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110423936 845361781 /nfs/dbraw/zinc/36/17/81/845361781.db2.gz BISIIYCEAHFICY-UPJWGTAASA-N 1 2 295.383 0.176 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110423936 845361790 /nfs/dbraw/zinc/36/17/90/845361790.db2.gz BISIIYCEAHFICY-UPJWGTAASA-N 1 2 295.383 0.176 20 30 CCEDLO C=CCC1(S(=O)(=O)N2CC3(C2)C[NH+](C)C3)CC1 ZINC001190805928 845510036 /nfs/dbraw/zinc/51/00/36/845510036.db2.gz XGRSEKYHIXBBNA-UHFFFAOYSA-N 1 2 256.371 0.672 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCCC)C1 ZINC001191598712 845701173 /nfs/dbraw/zinc/70/11/73/845701173.db2.gz PBSNYIOWSHCDDQ-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCCC)C1 ZINC001191598712 845701179 /nfs/dbraw/zinc/70/11/79/845701179.db2.gz PBSNYIOWSHCDDQ-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001191705376 845712968 /nfs/dbraw/zinc/71/29/68/845712968.db2.gz OAPFDGHMRFJUGT-RRFJBIMHSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001191705376 845712972 /nfs/dbraw/zinc/71/29/72/845712972.db2.gz OAPFDGHMRFJUGT-RRFJBIMHSA-N 1 2 296.411 0.480 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001192259036 845811281 /nfs/dbraw/zinc/81/12/81/845811281.db2.gz ZGXMFRFQCCDDHQ-IJLUTSLNSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001192259036 845811285 /nfs/dbraw/zinc/81/12/85/845811285.db2.gz ZGXMFRFQCCDDHQ-IJLUTSLNSA-N 1 2 270.398 0.313 20 30 CCEDLO N#Cc1ccncc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001192981771 845943726 /nfs/dbraw/zinc/94/37/26/845943726.db2.gz WXQATEXTRYDJDD-UHFFFAOYSA-N 1 2 272.308 0.015 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001193139080 846003714 /nfs/dbraw/zinc/00/37/14/846003714.db2.gz YGEFPVAANIZFAJ-NSHDSACASA-N 1 2 289.401 0.007 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncc(C#N)c2)CC1 ZINC001194107263 846215034 /nfs/dbraw/zinc/21/50/34/846215034.db2.gz AGHDLDVHPPXLTP-UHFFFAOYSA-N 1 2 256.309 0.897 20 30 CCEDLO Cc1cc(N(C(N)=[NH2+])C(=O)c2cncc(C#N)c2)n[nH]1 ZINC001194121679 846218215 /nfs/dbraw/zinc/21/82/15/846218215.db2.gz RLKHXFPBQFNVOH-UHFFFAOYSA-N 1 2 269.268 0.525 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn(CCOC)cn2)CC1 ZINC001194665050 846349868 /nfs/dbraw/zinc/34/98/68/846349868.db2.gz ABRLUAXWJGPVHX-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 ZINC001194789879 846384768 /nfs/dbraw/zinc/38/47/68/846384768.db2.gz RXAJQYGGYRCUBJ-IVZWLZJFSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 ZINC001194789879 846384776 /nfs/dbraw/zinc/38/47/76/846384776.db2.gz RXAJQYGGYRCUBJ-IVZWLZJFSA-N 1 2 260.284 0.072 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195126875 846466050 /nfs/dbraw/zinc/46/60/50/846466050.db2.gz ZCCIIYSCLUQMOU-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195126875 846466053 /nfs/dbraw/zinc/46/60/53/846466053.db2.gz ZCCIIYSCLUQMOU-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195314778 846504632 /nfs/dbraw/zinc/50/46/32/846504632.db2.gz UBHKIVKRWQGXNB-ZDUSSCGKSA-N 1 2 294.399 0.547 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195314778 846504637 /nfs/dbraw/zinc/50/46/37/846504637.db2.gz UBHKIVKRWQGXNB-ZDUSSCGKSA-N 1 2 294.399 0.547 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001273697746 846529142 /nfs/dbraw/zinc/52/91/42/846529142.db2.gz YMQVNLHGGPJHDH-UONOGXRCSA-N 1 2 292.379 0.560 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195443918 846532101 /nfs/dbraw/zinc/53/21/01/846532101.db2.gz MAJZDFSXBWCTNH-SNAWJCMRSA-N 1 2 290.367 0.127 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195443918 846532115 /nfs/dbraw/zinc/53/21/15/846532115.db2.gz MAJZDFSXBWCTNH-SNAWJCMRSA-N 1 2 290.367 0.127 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cncn2C)CC1 ZINC001196423814 846750133 /nfs/dbraw/zinc/75/01/33/846750133.db2.gz PMFOKBLCPNMIKC-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cncn2C)CC1 ZINC001196423814 846750142 /nfs/dbraw/zinc/75/01/42/846750142.db2.gz PMFOKBLCPNMIKC-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO Cc1ccnc(C#N)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251011269 846779608 /nfs/dbraw/zinc/77/96/08/846779608.db2.gz IWRBWGHJGYIHPG-GFCCVEGCSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197118749 846846114 /nfs/dbraw/zinc/84/61/14/846846114.db2.gz WNTVBKJXIXRBKT-UHFFFAOYSA-N 1 2 295.358 0.020 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197118749 846846121 /nfs/dbraw/zinc/84/61/21/846846121.db2.gz WNTVBKJXIXRBKT-UHFFFAOYSA-N 1 2 295.358 0.020 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc(=O)n(C(C)C)c2)CC1 ZINC001199244357 847270908 /nfs/dbraw/zinc/27/09/08/847270908.db2.gz JBTSSGIAUYHKDF-UHFFFAOYSA-N 1 2 290.367 0.768 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cccc(C#C)c1)C2 ZINC001273792275 847467319 /nfs/dbraw/zinc/46/73/19/847467319.db2.gz NJNRSPLGCQQGRT-UHFFFAOYSA-N 1 2 294.354 0.714 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@@H](O)C(C)C)C2)OCC1=O ZINC001273892481 847763521 /nfs/dbraw/zinc/76/35/21/847763521.db2.gz PYSASTYSJUEVQI-GFCCVEGCSA-N 1 2 268.357 0.103 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CC[C@H]3C2)cc1C#N ZINC001201311464 847763874 /nfs/dbraw/zinc/76/38/74/847763874.db2.gz DYPRYLDSYBXBPN-ZDUSSCGKSA-N 1 2 291.376 0.945 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CC[C@H]3C2)cc1C#N ZINC001201311464 847763883 /nfs/dbraw/zinc/76/38/83/847763883.db2.gz DYPRYLDSYBXBPN-ZDUSSCGKSA-N 1 2 291.376 0.945 20 30 CCEDLO CCSCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274007937 848298088 /nfs/dbraw/zinc/29/80/88/848298088.db2.gz HZEKUGAXUKXTEW-UHFFFAOYSA-N 1 2 297.424 0.956 20 30 CCEDLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)C#CC(C)(C)C ZINC001274015951 848302297 /nfs/dbraw/zinc/30/22/97/848302297.db2.gz KTFSOGJCUCPBMI-AATRIKPKSA-N 1 2 290.371 0.022 20 30 CCEDLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)C#CC(C)(C)C ZINC001274015952 848302847 /nfs/dbraw/zinc/30/28/47/848302847.db2.gz KTFSOGJCUCPBMI-WAYWQWQTSA-N 1 2 290.371 0.022 20 30 CCEDLO CCOC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274030388 848310164 /nfs/dbraw/zinc/31/01/64/848310164.db2.gz KZNYSQNBXIADGT-JHJVBQTASA-N 1 2 293.367 0.917 20 30 CCEDLO CCOC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274030388 848310172 /nfs/dbraw/zinc/31/01/72/848310172.db2.gz KZNYSQNBXIADGT-JHJVBQTASA-N 1 2 293.367 0.917 20 30 CCEDLO CC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2)C(N)=O ZINC001274031528 848311301 /nfs/dbraw/zinc/31/13/01/848311301.db2.gz UADZCZZCIVMVGN-NWDGAFQWSA-N 1 2 292.383 0.382 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001095399811 848402136 /nfs/dbraw/zinc/40/21/36/848402136.db2.gz VUMXNWYEDDGGAP-AGIUHOORSA-N 1 2 287.367 0.400 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001095399811 848402140 /nfs/dbraw/zinc/40/21/40/848402140.db2.gz VUMXNWYEDDGGAP-AGIUHOORSA-N 1 2 287.367 0.400 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)co3)C[C@@H](C1)O2 ZINC001274349160 848456124 /nfs/dbraw/zinc/45/61/24/848456124.db2.gz BNTPUZPVJWLIAO-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)co3)C[C@@H](C1)O2 ZINC001274349160 848456128 /nfs/dbraw/zinc/45/61/28/848456128.db2.gz BNTPUZPVJWLIAO-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001275135745 848646410 /nfs/dbraw/zinc/64/64/10/848646410.db2.gz MJZBZEBXQBWKHY-ZANVPECISA-N 1 2 282.344 0.299 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001275296061 848687466 /nfs/dbraw/zinc/68/74/66/848687466.db2.gz OVKDQSWVXOWNNC-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001275296061 848687473 /nfs/dbraw/zinc/68/74/73/848687473.db2.gz OVKDQSWVXOWNNC-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001275296061 848687478 /nfs/dbraw/zinc/68/74/78/848687478.db2.gz OVKDQSWVXOWNNC-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001275296061 848687486 /nfs/dbraw/zinc/68/74/86/848687486.db2.gz OVKDQSWVXOWNNC-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001275827202 848836610 /nfs/dbraw/zinc/83/66/10/848836610.db2.gz GLSNLXVBGZGEBE-LBPRGKRZSA-N 1 2 289.383 0.648 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001275827202 848836616 /nfs/dbraw/zinc/83/66/16/848836616.db2.gz GLSNLXVBGZGEBE-LBPRGKRZSA-N 1 2 289.383 0.648 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001276088977 848921003 /nfs/dbraw/zinc/92/10/03/848921003.db2.gz UWSFXUSYXDRDQT-LBPRGKRZSA-N 1 2 264.369 0.916 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001111125614 849075612 /nfs/dbraw/zinc/07/56/12/849075612.db2.gz KLLXTMVANOVTKR-ZRJCITRHSA-N 1 2 287.367 0.833 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001111125614 849075619 /nfs/dbraw/zinc/07/56/19/849075619.db2.gz KLLXTMVANOVTKR-ZRJCITRHSA-N 1 2 287.367 0.833 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCC2)C1=O ZINC001038009014 849636050 /nfs/dbraw/zinc/63/60/50/849636050.db2.gz ZIUPBAQPRGYKPE-KGLIPLIRSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCC2)C1=O ZINC001038009014 849636058 /nfs/dbraw/zinc/63/60/58/849636058.db2.gz ZIUPBAQPRGYKPE-KGLIPLIRSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038262911 849831816 /nfs/dbraw/zinc/83/18/16/849831816.db2.gz PGVVCSVVIXHFGF-QWHCGFSZSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038262911 849831822 /nfs/dbraw/zinc/83/18/22/849831822.db2.gz PGVVCSVVIXHFGF-QWHCGFSZSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304750 849843740 /nfs/dbraw/zinc/84/37/40/849843740.db2.gz ARVLQNJCNGJUQS-CYBMUJFWSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304750 849843747 /nfs/dbraw/zinc/84/37/47/849843747.db2.gz ARVLQNJCNGJUQS-CYBMUJFWSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322646 849850747 /nfs/dbraw/zinc/85/07/47/849850747.db2.gz BXHBXJOMAGEMDJ-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322646 849850752 /nfs/dbraw/zinc/85/07/52/849850752.db2.gz BXHBXJOMAGEMDJ-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038328018 849855813 /nfs/dbraw/zinc/85/58/13/849855813.db2.gz LZUFRESFPMQAKU-GFCCVEGCSA-N 1 2 289.383 0.861 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038328018 849855825 /nfs/dbraw/zinc/85/58/25/849855825.db2.gz LZUFRESFPMQAKU-GFCCVEGCSA-N 1 2 289.383 0.861 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001038374599 849869682 /nfs/dbraw/zinc/86/96/82/849869682.db2.gz COLDPWSXPXJDAF-LLVKDONJSA-N 1 2 296.321 0.894 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001038374599 849869685 /nfs/dbraw/zinc/86/96/85/849869685.db2.gz COLDPWSXPXJDAF-LLVKDONJSA-N 1 2 296.321 0.894 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038376869 849870699 /nfs/dbraw/zinc/87/06/99/849870699.db2.gz XPBQEOWOFXIEME-JTQLQIEISA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038376869 849870702 /nfs/dbraw/zinc/87/07/02/849870702.db2.gz XPBQEOWOFXIEME-JTQLQIEISA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001038383377 849874181 /nfs/dbraw/zinc/87/41/81/849874181.db2.gz RBTVDWMIOZGPSI-JTQLQIEISA-N 1 2 298.268 0.933 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001038383377 849874190 /nfs/dbraw/zinc/87/41/90/849874190.db2.gz RBTVDWMIOZGPSI-JTQLQIEISA-N 1 2 298.268 0.933 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001038422919 849889766 /nfs/dbraw/zinc/88/97/66/849889766.db2.gz BHKIEHZWNRCKNZ-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001038505468 849926738 /nfs/dbraw/zinc/92/67/38/849926738.db2.gz YUXWFSYJNWDMJE-JTQLQIEISA-N 1 2 284.323 0.180 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001038505468 849926749 /nfs/dbraw/zinc/92/67/49/849926749.db2.gz YUXWFSYJNWDMJE-JTQLQIEISA-N 1 2 284.323 0.180 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001038521169 849932475 /nfs/dbraw/zinc/93/24/75/849932475.db2.gz WBULGBSAIDKXGS-JTQLQIEISA-N 1 2 277.324 0.374 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001038521169 849932479 /nfs/dbraw/zinc/93/24/79/849932479.db2.gz WBULGBSAIDKXGS-JTQLQIEISA-N 1 2 277.324 0.374 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001038548175 849937342 /nfs/dbraw/zinc/93/73/42/849937342.db2.gz MBGZRRGUUZGIMD-LBPRGKRZSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001038548175 849937349 /nfs/dbraw/zinc/93/73/49/849937349.db2.gz MBGZRRGUUZGIMD-LBPRGKRZSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001038592301 849956226 /nfs/dbraw/zinc/95/62/26/849956226.db2.gz JLNMTMFPGDJCIB-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001038592301 849956227 /nfs/dbraw/zinc/95/62/27/849956227.db2.gz JLNMTMFPGDJCIB-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663030 849974766 /nfs/dbraw/zinc/97/47/66/849974766.db2.gz YAGDCIASJSMAPF-UONOGXRCSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663030 849974777 /nfs/dbraw/zinc/97/47/77/849974777.db2.gz YAGDCIASJSMAPF-UONOGXRCSA-N 1 2 291.395 0.812 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001038690649 849984051 /nfs/dbraw/zinc/98/40/51/849984051.db2.gz IDTLCRCZSPWCPT-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001038690649 849984054 /nfs/dbraw/zinc/98/40/54/849984054.db2.gz IDTLCRCZSPWCPT-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001038761040 850006883 /nfs/dbraw/zinc/00/68/83/850006883.db2.gz JQIYOUKFPGMTKT-UKRRQHHQSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001038761040 850006890 /nfs/dbraw/zinc/00/68/90/850006890.db2.gz JQIYOUKFPGMTKT-UKRRQHHQSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038852681 850050290 /nfs/dbraw/zinc/05/02/90/850050290.db2.gz BKMLPKBSPWSUNB-AWEZNQCLSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038852681 850050299 /nfs/dbraw/zinc/05/02/99/850050299.db2.gz BKMLPKBSPWSUNB-AWEZNQCLSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001038910218 850080374 /nfs/dbraw/zinc/08/03/74/850080374.db2.gz YSULAQSAOICAGG-WCQYABFASA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001038910218 850080376 /nfs/dbraw/zinc/08/03/76/850080376.db2.gz YSULAQSAOICAGG-WCQYABFASA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039034469 850130395 /nfs/dbraw/zinc/13/03/95/850130395.db2.gz CNYZKFNJZQYMBP-CQSZACIVSA-N 1 2 285.347 0.484 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039034469 850130401 /nfs/dbraw/zinc/13/04/01/850130401.db2.gz CNYZKFNJZQYMBP-CQSZACIVSA-N 1 2 285.347 0.484 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001039042718 850136991 /nfs/dbraw/zinc/13/69/91/850136991.db2.gz LWBZPXPWFQGPBH-NSHDSACASA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001039042718 850137001 /nfs/dbraw/zinc/13/70/01/850137001.db2.gz LWBZPXPWFQGPBH-NSHDSACASA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079065 850147870 /nfs/dbraw/zinc/14/78/70/850147870.db2.gz CJZWHNXRZBUDRS-LBPRGKRZSA-N 1 2 288.351 0.703 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079065 850147876 /nfs/dbraw/zinc/14/78/76/850147876.db2.gz CJZWHNXRZBUDRS-LBPRGKRZSA-N 1 2 288.351 0.703 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084131 850153088 /nfs/dbraw/zinc/15/30/88/850153088.db2.gz JSXCKPWUDHYPHB-GFCCVEGCSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084131 850153091 /nfs/dbraw/zinc/15/30/91/850153091.db2.gz JSXCKPWUDHYPHB-GFCCVEGCSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039090391 850155762 /nfs/dbraw/zinc/15/57/62/850155762.db2.gz ZGVPLVWENLNIFK-JTQLQIEISA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039090391 850155767 /nfs/dbraw/zinc/15/57/67/850155767.db2.gz ZGVPLVWENLNIFK-JTQLQIEISA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216133 850599034 /nfs/dbraw/zinc/59/90/34/850599034.db2.gz MDVBXQLMBAUXNA-AAEUAGOBSA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216133 850599042 /nfs/dbraw/zinc/59/90/42/850599042.db2.gz MDVBXQLMBAUXNA-AAEUAGOBSA-N 1 2 288.351 0.295 20 30 CCEDLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590094 850705770 /nfs/dbraw/zinc/70/57/70/850705770.db2.gz STLFAILEQYTENZ-SECBINFHSA-N 1 2 262.313 0.023 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001042636799 850718904 /nfs/dbraw/zinc/71/89/04/850718904.db2.gz SSGKAPCPZXLPDP-NSHDSACASA-N 1 2 261.329 0.005 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CCOC)nn2)C1 ZINC001042712523 850742035 /nfs/dbraw/zinc/74/20/35/850742035.db2.gz MBPZNAXCYXVJAQ-UHFFFAOYSA-N 1 2 293.371 0.257 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001042989582 850791762 /nfs/dbraw/zinc/79/17/62/850791762.db2.gz QWIFWCOJKKAOPK-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001043504034 850886605 /nfs/dbraw/zinc/88/66/05/850886605.db2.gz LQQGCICWFPBDNO-UHFFFAOYSA-N 1 2 290.367 0.339 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCO)C2)cc1 ZINC001043506276 850886712 /nfs/dbraw/zinc/88/67/12/850886712.db2.gz VEVIHSVCMGAVPX-UHFFFAOYSA-N 1 2 258.321 0.416 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(OC)nc2)C1 ZINC001044133656 851019255 /nfs/dbraw/zinc/01/92/55/851019255.db2.gz GHPLVCVTZMXOTL-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001044155356 851024236 /nfs/dbraw/zinc/02/42/36/851024236.db2.gz TYHABAPORAPBKF-MRXNPFEDSA-N 1 2 293.411 0.964 20 30 CCEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CN(CC#N)C1 ZINC001044188454 851036808 /nfs/dbraw/zinc/03/68/08/851036808.db2.gz JCAKMHHKJNIVGZ-UHFFFAOYSA-N 1 2 261.329 0.353 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(OCC)cn2)C1 ZINC001044372819 851088550 /nfs/dbraw/zinc/08/85/50/851088550.db2.gz QTRICLLKZRWKLL-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001045645478 851292410 /nfs/dbraw/zinc/29/24/10/851292410.db2.gz UHDWWXQDGXDZLT-LBPRGKRZSA-N 1 2 298.408 0.168 20 30 CCEDLO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046006473 851345803 /nfs/dbraw/zinc/34/58/03/851345803.db2.gz MERLJJSNFNKKNY-ZIAGYGMSSA-N 1 2 278.400 0.775 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC001046062940 851358688 /nfs/dbraw/zinc/35/86/88/851358688.db2.gz XAMPWPBBVKNZFG-CYBMUJFWSA-N 1 2 294.374 0.478 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN(CC#N)C1 ZINC001046612587 851564204 /nfs/dbraw/zinc/56/42/04/851564204.db2.gz RMVZYNXEIAPBFH-ABAIWWIYSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046626609 851570059 /nfs/dbraw/zinc/57/00/59/851570059.db2.gz BCNGDWNSPCQEHY-GBIKHYSHSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046626609 851570061 /nfs/dbraw/zinc/57/00/61/851570061.db2.gz BCNGDWNSPCQEHY-GBIKHYSHSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047323943 851717948 /nfs/dbraw/zinc/71/79/48/851717948.db2.gz CBRRGDMFYMHAAI-RDBSUJKOSA-N 1 2 281.400 0.160 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047323943 851717958 /nfs/dbraw/zinc/71/79/58/851717958.db2.gz CBRRGDMFYMHAAI-RDBSUJKOSA-N 1 2 281.400 0.160 20 30 CCEDLO C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047323943 851717969 /nfs/dbraw/zinc/71/79/69/851717969.db2.gz CBRRGDMFYMHAAI-RDBSUJKOSA-N 1 2 281.400 0.160 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001047425806 851760649 /nfs/dbraw/zinc/76/06/49/851760649.db2.gz OPLUCNJTDAHAPQ-GJZGRUSLSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001047425806 851760654 /nfs/dbraw/zinc/76/06/54/851760654.db2.gz OPLUCNJTDAHAPQ-GJZGRUSLSA-N 1 2 298.346 0.085 20 30 CCEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001096199506 851793769 /nfs/dbraw/zinc/79/37/69/851793769.db2.gz KLUWSXYQVKXWPV-VWYCJHECSA-N 1 2 261.329 0.716 20 30 CCEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001096199506 851793772 /nfs/dbraw/zinc/79/37/72/851793772.db2.gz KLUWSXYQVKXWPV-VWYCJHECSA-N 1 2 261.329 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)on2)C1 ZINC001047581816 851825446 /nfs/dbraw/zinc/82/54/46/851825446.db2.gz PUVDLVQUJPOVOB-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)on2)C1 ZINC001047581816 851825451 /nfs/dbraw/zinc/82/54/51/851825451.db2.gz PUVDLVQUJPOVOB-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001047636577 851842578 /nfs/dbraw/zinc/84/25/78/851842578.db2.gz QNZZHUAUXGKWIX-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001047636577 851842583 /nfs/dbraw/zinc/84/25/83/851842583.db2.gz QNZZHUAUXGKWIX-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001096364825 851960364 /nfs/dbraw/zinc/96/03/64/851960364.db2.gz NIXOVIIXQWQQMJ-CYBMUJFWSA-N 1 2 270.336 0.893 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096493988 852183709 /nfs/dbraw/zinc/18/37/09/852183709.db2.gz DLNSJPWNBLQVDY-WOPDTQHZSA-N 1 2 295.774 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cncn1)C2 ZINC001096493988 852183713 /nfs/dbraw/zinc/18/37/13/852183713.db2.gz DLNSJPWNBLQVDY-WOPDTQHZSA-N 1 2 295.774 0.752 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049191331 852189619 /nfs/dbraw/zinc/18/96/19/852189619.db2.gz RNPIBDPYRQLPEG-TXEJJXNPSA-N 1 2 273.340 0.174 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359758 852241842 /nfs/dbraw/zinc/24/18/42/852241842.db2.gz LPEYEZZLWLOTPA-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359758 852241849 /nfs/dbraw/zinc/24/18/49/852241849.db2.gz LPEYEZZLWLOTPA-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#N ZINC001049868687 852388732 /nfs/dbraw/zinc/38/87/32/852388732.db2.gz VWFKGWFZHOBSDA-ZIAGYGMSSA-N 1 2 287.367 0.850 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097147138 852503257 /nfs/dbraw/zinc/50/32/57/852503257.db2.gz LUIKUUDWTBPOTK-UTUOFQBUSA-N 1 2 295.774 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001097147138 852503268 /nfs/dbraw/zinc/50/32/68/852503268.db2.gz LUIKUUDWTBPOTK-UTUOFQBUSA-N 1 2 295.774 0.752 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 ZINC001053211268 852711101 /nfs/dbraw/zinc/71/11/01/852711101.db2.gz WAWCMHRPXFOYFN-UHFFFAOYSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCO[C@@H]1C)CCO2 ZINC001053486700 852749370 /nfs/dbraw/zinc/74/93/70/852749370.db2.gz ZRDOUXSWNZZKMR-ZIAGYGMSSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCO[C@H]1C)CCO2 ZINC001053486697 852749376 /nfs/dbraw/zinc/74/93/76/852749376.db2.gz ZRDOUXSWNZZKMR-KBPBESRZSA-N 1 2 294.395 0.901 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)cn1 ZINC001053512743 852753738 /nfs/dbraw/zinc/75/37/38/852753738.db2.gz ZIJLJFLZKRSMGG-UHFFFAOYSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)nc1 ZINC001053512677 852754448 /nfs/dbraw/zinc/75/44/48/852754448.db2.gz VTVANCPRUIDEEW-UHFFFAOYSA-N 1 2 299.374 1.000 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncc[nH]1)O2 ZINC001053596403 852768913 /nfs/dbraw/zinc/76/89/13/852768913.db2.gz SXIODMZETUBTPJ-GFCCVEGCSA-N 1 2 290.367 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1)CO2 ZINC001053721439 852789039 /nfs/dbraw/zinc/78/90/39/852789039.db2.gz VSYSPNMAUKTHME-AWEZNQCLSA-N 1 2 285.347 0.678 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)c1)CO2 ZINC001053733620 852794524 /nfs/dbraw/zinc/79/45/24/852794524.db2.gz AARNTPANKNLEBR-ZDUSSCGKSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCOC1)CO2 ZINC001053755935 852807280 /nfs/dbraw/zinc/80/72/80/852807280.db2.gz LZBFSAUVYVZLEF-KGLIPLIRSA-N 1 2 294.395 0.949 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780056 852818776 /nfs/dbraw/zinc/81/87/76/852818776.db2.gz ZTPTYSJINKEXDI-LBPRGKRZSA-N 1 2 274.324 0.479 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncnc1)CO2 ZINC001053785605 852819554 /nfs/dbraw/zinc/81/95/54/852819554.db2.gz NMRJZVWVDYLYCB-ZDUSSCGKSA-N 1 2 288.351 0.626 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnco1)CO2 ZINC001053885697 852838162 /nfs/dbraw/zinc/83/81/62/852838162.db2.gz ULXFINFGEPXOBT-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnco1)CO2 ZINC001053887417 852840372 /nfs/dbraw/zinc/84/03/72/852840372.db2.gz WPSOVTAYZBUQFN-NSHDSACASA-N 1 2 275.308 0.271 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncccn1)CO2 ZINC001053960670 852854369 /nfs/dbraw/zinc/85/43/69/852854369.db2.gz FXLKVHQJQFFCSE-LBPRGKRZSA-N 1 2 286.335 0.073 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnn1)CO2 ZINC001053964820 852859265 /nfs/dbraw/zinc/85/92/65/852859265.db2.gz OJNZSDFZQHTYSJ-GFCCVEGCSA-N 1 2 286.335 0.073 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCOC1)CO2 ZINC001053968032 852860937 /nfs/dbraw/zinc/86/09/37/852860937.db2.gz ISWDYRFNQOTIKB-UKRRQHHQSA-N 1 2 292.379 0.396 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001098006280 853121696 /nfs/dbraw/zinc/12/16/96/853121696.db2.gz FEQWLUAYGWKWSI-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001098007077 853125160 /nfs/dbraw/zinc/12/51/60/853125160.db2.gz SMGWOVPNNGJTRO-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050730655 853420739 /nfs/dbraw/zinc/42/07/39/853420739.db2.gz LZLSBLRARJJXBJ-UHFFFAOYSA-N 1 2 287.367 0.411 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001050809440 853443324 /nfs/dbraw/zinc/44/33/24/853443324.db2.gz KAOMSCRBZOJBIV-CYBMUJFWSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001050809440 853443325 /nfs/dbraw/zinc/44/33/25/853443325.db2.gz KAOMSCRBZOJBIV-CYBMUJFWSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1CC ZINC001050895330 853477661 /nfs/dbraw/zinc/47/76/61/853477661.db2.gz TYGSDIVDQBKWDD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1CC ZINC001050895330 853477674 /nfs/dbraw/zinc/47/76/74/853477674.db2.gz TYGSDIVDQBKWDD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001050996073 853501714 /nfs/dbraw/zinc/50/17/14/853501714.db2.gz OIAVTUKGSWCJLK-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001050996073 853501717 /nfs/dbraw/zinc/50/17/17/853501717.db2.gz OIAVTUKGSWCJLK-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC001051134642 853530886 /nfs/dbraw/zinc/53/08/86/853530886.db2.gz SWOCJCCKRGEBCP-CQSZACIVSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC001051134642 853530889 /nfs/dbraw/zinc/53/08/89/853530889.db2.gz SWOCJCCKRGEBCP-CQSZACIVSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccn1 ZINC001051175912 853540489 /nfs/dbraw/zinc/54/04/89/853540489.db2.gz GCQLJRGPQRMCHC-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccn1 ZINC001051175912 853540497 /nfs/dbraw/zinc/54/04/97/853540497.db2.gz GCQLJRGPQRMCHC-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccncc3)C2)CC1 ZINC001051972935 853667405 /nfs/dbraw/zinc/66/74/05/853667405.db2.gz SBNRHXSVZGDHEQ-HNNXBMFYSA-N 1 2 299.378 0.437 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001051989594 853670053 /nfs/dbraw/zinc/67/00/53/853670053.db2.gz HJIXEFWFTUBYTL-KBPBESRZSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001051989594 853670059 /nfs/dbraw/zinc/67/00/59/853670059.db2.gz HJIXEFWFTUBYTL-KBPBESRZSA-N 1 2 295.452 0.590 20 30 CCEDLO CC[C@@H](OC)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051995393 853671127 /nfs/dbraw/zinc/67/11/27/853671127.db2.gz DBMJHSCYGKYFBF-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001069897663 853995908 /nfs/dbraw/zinc/99/59/08/853995908.db2.gz ASLAEICDBARSCA-OLZOCXBDSA-N 1 2 275.356 0.299 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001069897663 853995910 /nfs/dbraw/zinc/99/59/10/853995910.db2.gz ASLAEICDBARSCA-OLZOCXBDSA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001069895572 853996844 /nfs/dbraw/zinc/99/68/44/853996844.db2.gz AYYYEEUJHWYFEY-ZNMIVQPWSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001069895572 853996847 /nfs/dbraw/zinc/99/68/47/853996847.db2.gz AYYYEEUJHWYFEY-ZNMIVQPWSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069913866 853997885 /nfs/dbraw/zinc/99/78/85/853997885.db2.gz FGRZLCNXZRLBKJ-KGLIPLIRSA-N 1 2 299.334 0.089 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069913866 853997889 /nfs/dbraw/zinc/99/78/89/853997889.db2.gz FGRZLCNXZRLBKJ-KGLIPLIRSA-N 1 2 299.334 0.089 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070039515 854019582 /nfs/dbraw/zinc/01/95/82/854019582.db2.gz IWPHQWSDEPTOLE-MCIONIFRSA-N 1 2 299.378 0.443 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070039515 854019588 /nfs/dbraw/zinc/01/95/88/854019588.db2.gz IWPHQWSDEPTOLE-MCIONIFRSA-N 1 2 299.378 0.443 20 30 CCEDLO CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070615720 854082951 /nfs/dbraw/zinc/08/29/51/854082951.db2.gz NPMDVHHXPNZXQS-CHWSQXEVSA-N 1 2 287.367 0.794 20 30 CCEDLO CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070623875 854083036 /nfs/dbraw/zinc/08/30/36/854083036.db2.gz KFKJVPNDAQGCJG-VXGBXAGGSA-N 1 2 275.356 0.484 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(C)CC2)CC1 ZINC001070965857 854109612 /nfs/dbraw/zinc/10/96/12/854109612.db2.gz XEDILVXZLGVHAZ-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(C)CC2)CC1 ZINC001070965857 854109608 /nfs/dbraw/zinc/10/96/08/854109608.db2.gz XEDILVXZLGVHAZ-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](F)CC)CC1 ZINC001070986818 854111654 /nfs/dbraw/zinc/11/16/54/854111654.db2.gz DXVBBLPIVMFZCD-ZDUSSCGKSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](F)CC)CC1 ZINC001070986818 854111657 /nfs/dbraw/zinc/11/16/57/854111657.db2.gz DXVBBLPIVMFZCD-ZDUSSCGKSA-N 1 2 299.390 0.961 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001071004478 854113117 /nfs/dbraw/zinc/11/31/17/854113117.db2.gz HUICNALIGGJROA-CYBMUJFWSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001071004478 854113121 /nfs/dbraw/zinc/11/31/21/854113121.db2.gz HUICNALIGGJROA-CYBMUJFWSA-N 1 2 291.395 0.623 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001071911789 854317069 /nfs/dbraw/zinc/31/70/69/854317069.db2.gz RGGMSPDKTWIHBI-QWRGUYRKSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001071911789 854317072 /nfs/dbraw/zinc/31/70/72/854317072.db2.gz RGGMSPDKTWIHBI-QWRGUYRKSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074118593 854673646 /nfs/dbraw/zinc/67/36/46/854673646.db2.gz JWTHLXICIMGOKG-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074118593 854673648 /nfs/dbraw/zinc/67/36/48/854673648.db2.gz JWTHLXICIMGOKG-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001074181686 854689614 /nfs/dbraw/zinc/68/96/14/854689614.db2.gz YKMGVBHNCOZAEI-KGLIPLIRSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001074181686 854689620 /nfs/dbraw/zinc/68/96/20/854689620.db2.gz YKMGVBHNCOZAEI-KGLIPLIRSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001074181686 854689627 /nfs/dbraw/zinc/68/96/27/854689627.db2.gz YKMGVBHNCOZAEI-KGLIPLIRSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001074181686 854689631 /nfs/dbraw/zinc/68/96/31/854689631.db2.gz YKMGVBHNCOZAEI-KGLIPLIRSA-N 1 2 290.367 0.901 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)c1cc[nH+]c(C)n1 ZINC001100471463 855175113 /nfs/dbraw/zinc/17/51/13/855175113.db2.gz FFEDDURNFFMSGD-JTQLQIEISA-N 1 2 261.329 0.887 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001115766823 855694718 /nfs/dbraw/zinc/69/47/18/855694718.db2.gz RNWAGKPYTBQDAX-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCCCC#N ZINC001117306015 855942455 /nfs/dbraw/zinc/94/24/55/855942455.db2.gz FXMPEFUPHVRQBD-UHFFFAOYSA-N 1 2 291.355 0.542 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001323302996 912260016 /nfs/dbraw/zinc/26/00/16/912260016.db2.gz QOFKPHWFHSQXLJ-GJZGRUSLSA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001323302996 912260025 /nfs/dbraw/zinc/26/00/25/912260025.db2.gz QOFKPHWFHSQXLJ-GJZGRUSLSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CCC(C)C ZINC001323321407 912268938 /nfs/dbraw/zinc/26/89/38/912268938.db2.gz YPSLNKHMZSWSLE-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)CCC(C)C ZINC001323321407 912268954 /nfs/dbraw/zinc/26/89/54/912268954.db2.gz YPSLNKHMZSWSLE-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001323587547 912430096 /nfs/dbraw/zinc/43/00/96/912430096.db2.gz ZFDKVJRGQPOAFB-NSHDSACASA-N 1 2 276.340 0.349 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)CC)C1 ZINC001324671369 912975419 /nfs/dbraw/zinc/97/54/19/912975419.db2.gz CSMNNMWGHUXXJG-CYBMUJFWSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)CC)C1 ZINC001324671369 912975432 /nfs/dbraw/zinc/97/54/32/912975432.db2.gz CSMNNMWGHUXXJG-CYBMUJFWSA-N 1 2 288.413 0.578 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CCO)C[NH+](CCOC2CCC2)C1 ZINC001394145777 913045199 /nfs/dbraw/zinc/04/51/99/913045199.db2.gz CRBTYNJTVHPGPY-LBPRGKRZSA-N 1 2 295.383 0.268 20 30 CCEDLO N#CCN1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325055193 913174047 /nfs/dbraw/zinc/17/40/47/913174047.db2.gz SCRUVIBIDNVODU-JTQLQIEISA-N 1 2 297.309 0.549 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2csnc2C)C1 ZINC001325200389 913277286 /nfs/dbraw/zinc/27/72/86/913277286.db2.gz DXJMDCQATXQWHC-UHFFFAOYSA-N 1 2 279.365 0.251 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC001325205761 913278815 /nfs/dbraw/zinc/27/88/15/913278815.db2.gz HIXDLKCZCNWSAK-LLVKDONJSA-N 1 2 295.339 0.420 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC001325205761 913278832 /nfs/dbraw/zinc/27/88/32/913278832.db2.gz HIXDLKCZCNWSAK-LLVKDONJSA-N 1 2 295.339 0.420 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001325217049 913287050 /nfs/dbraw/zinc/28/70/50/913287050.db2.gz KNNWDXWMNVXECF-CHWSQXEVSA-N 1 2 282.384 0.683 20 30 CCEDLO C=C1CCC(C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001325259916 913305465 /nfs/dbraw/zinc/30/54/65/913305465.db2.gz UUUUUFHBWDVDFI-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001496501634 891433341 /nfs/dbraw/zinc/43/33/41/891433341.db2.gz XEAAWTZGYQGJLP-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CSCC#N ZINC001268050772 892754192 /nfs/dbraw/zinc/75/41/92/892754192.db2.gz SXTCSXAMJNFRPE-VIFPVBQESA-N 1 2 299.425 0.731 20 30 CCEDLO C#CCCCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001481556607 892824219 /nfs/dbraw/zinc/82/42/19/892824219.db2.gz XMCJXSXIFFLCOR-UHFFFAOYSA-N 1 2 274.368 0.567 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2(NC(C)=O)CCCC2)C1 ZINC001481588364 892875440 /nfs/dbraw/zinc/87/54/40/892875440.db2.gz JNICJUFKKODNOI-UHFFFAOYSA-N 1 2 279.384 0.812 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001481706529 893052844 /nfs/dbraw/zinc/05/28/44/893052844.db2.gz PAWRTUKBOBQLCY-GFCCVEGCSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001481706529 893052862 /nfs/dbraw/zinc/05/28/62/893052862.db2.gz PAWRTUKBOBQLCY-GFCCVEGCSA-N 1 2 290.367 0.007 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001481719151 893085135 /nfs/dbraw/zinc/08/51/35/893085135.db2.gz GDAJNJKINVTATE-OLZOCXBDSA-N 1 2 294.399 0.451 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001481719151 893085155 /nfs/dbraw/zinc/08/51/55/893085155.db2.gz GDAJNJKINVTATE-OLZOCXBDSA-N 1 2 294.399 0.451 20 30 CCEDLO CC[C@@H](F)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772421 893134554 /nfs/dbraw/zinc/13/45/54/893134554.db2.gz WRFMGFHOZRYHNJ-NWDGAFQWSA-N 1 2 298.362 0.297 20 30 CCEDLO CC[C@@H](F)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772421 893134560 /nfs/dbraw/zinc/13/45/60/893134560.db2.gz WRFMGFHOZRYHNJ-NWDGAFQWSA-N 1 2 298.362 0.297 20 30 CCEDLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269787345 893644619 /nfs/dbraw/zinc/64/46/19/893644619.db2.gz JHMOEKKBKRNDNR-LLVKDONJSA-N 1 2 252.358 0.559 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC(C)=O)C1 ZINC001271941752 894228394 /nfs/dbraw/zinc/22/83/94/894228394.db2.gz PGVOQPJQPSRFTR-OAHLLOKOSA-N 1 2 280.368 0.322 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCCC(C)=O)C1 ZINC001271941752 894228379 /nfs/dbraw/zinc/22/83/79/894228379.db2.gz PGVOQPJQPSRFTR-OAHLLOKOSA-N 1 2 280.368 0.322 20 30 CCEDLO COCC#CC[N@H+](C)CCN(C)C(=O)C(=O)C(C)(C)C ZINC001482586939 894295994 /nfs/dbraw/zinc/29/59/94/894295994.db2.gz TWDQBPOQIBGZDK-UHFFFAOYSA-N 1 2 282.384 0.642 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)C(=O)C(C)(C)C ZINC001482586939 894296006 /nfs/dbraw/zinc/29/60/06/894296006.db2.gz TWDQBPOQIBGZDK-UHFFFAOYSA-N 1 2 282.384 0.642 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc2nc(C)no2)C1 ZINC001482768067 894586493 /nfs/dbraw/zinc/58/64/93/894586493.db2.gz XNDVVNJVCXCICQ-LLVKDONJSA-N 1 2 294.355 0.301 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N)o1 ZINC001482990692 894778407 /nfs/dbraw/zinc/77/84/07/894778407.db2.gz GORBQQHELDUUKS-NWALNABHSA-N 1 2 263.301 0.300 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001483624411 895727412 /nfs/dbraw/zinc/72/74/12/895727412.db2.gz LQNNKQJNIJOMGU-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001483624411 895727419 /nfs/dbraw/zinc/72/74/19/895727419.db2.gz LQNNKQJNIJOMGU-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccon1 ZINC001483638029 895770190 /nfs/dbraw/zinc/77/01/90/895770190.db2.gz GIUSNQZBSKYZFN-ZDUSSCGKSA-N 1 2 277.324 0.057 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccon1 ZINC001483638029 895770207 /nfs/dbraw/zinc/77/02/07/895770207.db2.gz GIUSNQZBSKYZFN-ZDUSSCGKSA-N 1 2 277.324 0.057 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)COC ZINC001483667223 895822372 /nfs/dbraw/zinc/82/23/72/895822372.db2.gz WKUCUVWUBJIPOK-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)COC ZINC001483667223 895822387 /nfs/dbraw/zinc/82/23/87/895822387.db2.gz WKUCUVWUBJIPOK-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2nocc2C)C1 ZINC001483887073 896106159 /nfs/dbraw/zinc/10/61/59/896106159.db2.gz UHOCTXKPCYHFRC-UHFFFAOYSA-N 1 2 279.340 0.942 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001484276360 896303276 /nfs/dbraw/zinc/30/32/76/896303276.db2.gz ORRZAFNMXITFEP-LLVKDONJSA-N 1 2 286.322 0.608 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001484272754 896312251 /nfs/dbraw/zinc/31/22/51/896312251.db2.gz KMFYRHDIVRQCLL-GFCCVEGCSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001326648898 914074536 /nfs/dbraw/zinc/07/45/36/914074536.db2.gz ZWMAETMXFBDXJE-LSDHHAIUSA-N 1 2 296.411 0.768 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001326648898 914074521 /nfs/dbraw/zinc/07/45/21/914074521.db2.gz ZWMAETMXFBDXJE-LSDHHAIUSA-N 1 2 296.411 0.768 20 30 CCEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC001485003894 896714005 /nfs/dbraw/zinc/71/40/05/896714005.db2.gz HLFBONJLTQEJOD-CQSZACIVSA-N 1 2 285.347 0.211 20 30 CCEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC001485003894 896714011 /nfs/dbraw/zinc/71/40/11/896714011.db2.gz HLFBONJLTQEJOD-CQSZACIVSA-N 1 2 285.347 0.211 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2cnn(C)c2)C1 ZINC001485400354 897036105 /nfs/dbraw/zinc/03/61/05/897036105.db2.gz ZXXJQCNULSPYGG-UHFFFAOYSA-N 1 2 292.383 0.092 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cncc(C#C)c2)C1 ZINC001485416948 897043878 /nfs/dbraw/zinc/04/38/78/897043878.db2.gz WDAILRUXNWBYFZ-UHFFFAOYSA-N 1 2 297.358 0.253 20 30 CCEDLO Cc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001485496554 897083156 /nfs/dbraw/zinc/08/31/56/897083156.db2.gz JHPMHYYAANPJQG-JQWIXIFHSA-N 1 2 289.383 0.825 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001485522115 897103900 /nfs/dbraw/zinc/10/39/00/897103900.db2.gz HFOXFOOPVLPFPG-HZMBPMFUSA-N 1 2 299.802 0.702 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNCC#N)C1 ZINC001485704303 897184987 /nfs/dbraw/zinc/18/49/87/897184987.db2.gz LLMVORSLRLABFG-XYPYZODXSA-N 1 2 261.329 0.269 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107834133 897331990 /nfs/dbraw/zinc/33/19/90/897331990.db2.gz VYIQDWIPAFDGLQ-UKRRQHHQSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107834133 897332001 /nfs/dbraw/zinc/33/20/01/897332001.db2.gz VYIQDWIPAFDGLQ-UKRRQHHQSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869974 897399545 /nfs/dbraw/zinc/39/95/45/897399545.db2.gz LJPWRUKCSLJFCC-ZFWWWQNUSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869974 897399560 /nfs/dbraw/zinc/39/95/60/897399560.db2.gz LJPWRUKCSLJFCC-ZFWWWQNUSA-N 1 2 282.384 0.949 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107900346 897465931 /nfs/dbraw/zinc/46/59/31/897465931.db2.gz JAEYOBAEJHIIDE-SNVBAGLBSA-N 1 2 299.338 0.539 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccnn2C)C1 ZINC001107905370 897480169 /nfs/dbraw/zinc/48/01/69/897480169.db2.gz XSOBWEVNWCVNSW-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccnn2C)C1 ZINC001107905370 897480177 /nfs/dbraw/zinc/48/01/77/897480177.db2.gz XSOBWEVNWCVNSW-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908371 897481561 /nfs/dbraw/zinc/48/15/61/897481561.db2.gz MUDCMWNEFGMZCT-HOCLYGCPSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908371 897481569 /nfs/dbraw/zinc/48/15/69/897481569.db2.gz MUDCMWNEFGMZCT-HOCLYGCPSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001077775496 897484215 /nfs/dbraw/zinc/48/42/15/897484215.db2.gz ZYYCXJHQVKWTKC-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001077775496 897484222 /nfs/dbraw/zinc/48/42/22/897484222.db2.gz ZYYCXJHQVKWTKC-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001077807518 897617552 /nfs/dbraw/zinc/61/75/52/897617552.db2.gz XQVGFPUNXNHXBD-YJNKXOJESA-N 1 2 292.379 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001077807518 897617560 /nfs/dbraw/zinc/61/75/60/897617560.db2.gz XQVGFPUNXNHXBD-YJNKXOJESA-N 1 2 292.379 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1Cl ZINC001032549319 897733594 /nfs/dbraw/zinc/73/35/94/897733594.db2.gz ZWLNCLCSIFDBMA-QWRGUYRKSA-N 1 2 292.770 0.914 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1Cl ZINC001032549319 897733603 /nfs/dbraw/zinc/73/36/03/897733603.db2.gz ZWLNCLCSIFDBMA-QWRGUYRKSA-N 1 2 292.770 0.914 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](CC)C(N)=O)C1 ZINC001032613917 897828015 /nfs/dbraw/zinc/82/80/15/897828015.db2.gz BHCXMPDFIGUHIN-AVGNSLFASA-N 1 2 291.395 0.892 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](CC)C(N)=O)C1 ZINC001032613917 897828034 /nfs/dbraw/zinc/82/80/34/897828034.db2.gz BHCXMPDFIGUHIN-AVGNSLFASA-N 1 2 291.395 0.892 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032637559 897870086 /nfs/dbraw/zinc/87/00/86/897870086.db2.gz PJYCOSRTGOHXLM-XQLPTFJDSA-N 1 2 274.364 0.886 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032637559 897870095 /nfs/dbraw/zinc/87/00/95/897870095.db2.gz PJYCOSRTGOHXLM-XQLPTFJDSA-N 1 2 274.364 0.886 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032666629 897916415 /nfs/dbraw/zinc/91/64/15/897916415.db2.gz VIQZNYIHCKEMES-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032666629 897916421 /nfs/dbraw/zinc/91/64/21/897916421.db2.gz VIQZNYIHCKEMES-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnn1 ZINC001032695382 897934560 /nfs/dbraw/zinc/93/45/60/897934560.db2.gz KLOLVUFIISGYDT-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnn1 ZINC001032695382 897934568 /nfs/dbraw/zinc/93/45/68/897934568.db2.gz KLOLVUFIISGYDT-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncccn1 ZINC001032692581 897939343 /nfs/dbraw/zinc/93/93/43/897939343.db2.gz LPFVVGYSXLDWJP-STQMWFEESA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncccn1 ZINC001032692581 897939351 /nfs/dbraw/zinc/93/93/51/897939351.db2.gz LPFVVGYSXLDWJP-STQMWFEESA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)C)c1C ZINC001032706120 897948512 /nfs/dbraw/zinc/94/85/12/897948512.db2.gz YXKSPXSTHOLSRN-STQMWFEESA-N 1 2 287.367 0.699 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)C)c1C ZINC001032706120 897948523 /nfs/dbraw/zinc/94/85/23/897948523.db2.gz YXKSPXSTHOLSRN-STQMWFEESA-N 1 2 287.367 0.699 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C(F)F ZINC001032725266 898010529 /nfs/dbraw/zinc/01/05/29/898010529.db2.gz HALBFQUHTGIITD-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C(F)F ZINC001032725266 898010545 /nfs/dbraw/zinc/01/05/45/898010545.db2.gz HALBFQUHTGIITD-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)N1CCCC1=O ZINC001032728251 898019852 /nfs/dbraw/zinc/01/98/52/898019852.db2.gz SSCDZTPWZLAVLH-RDBSUJKOSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)N1CCCC1=O ZINC001032728251 898019862 /nfs/dbraw/zinc/01/98/62/898019862.db2.gz SSCDZTPWZLAVLH-RDBSUJKOSA-N 1 2 289.379 0.306 20 30 CCEDLO COCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001272843679 898066691 /nfs/dbraw/zinc/06/66/91/898066691.db2.gz UFDKZISDCPYMMZ-KBPBESRZSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001272843679 898066701 /nfs/dbraw/zinc/06/67/01/898066701.db2.gz UFDKZISDCPYMMZ-KBPBESRZSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001272843681 898068493 /nfs/dbraw/zinc/06/84/93/898068493.db2.gz UFDKZISDCPYMMZ-UONOGXRCSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001272843681 898068506 /nfs/dbraw/zinc/06/85/06/898068506.db2.gz UFDKZISDCPYMMZ-UONOGXRCSA-N 1 2 297.399 0.780 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001272858843 898085142 /nfs/dbraw/zinc/08/51/42/898085142.db2.gz GMZKLHGVNYRSGK-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001272858843 898085156 /nfs/dbraw/zinc/08/51/56/898085156.db2.gz GMZKLHGVNYRSGK-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001108010074 898109223 /nfs/dbraw/zinc/10/92/23/898109223.db2.gz MLQZBKMGTRSZHK-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001108010074 898109227 /nfs/dbraw/zinc/10/92/27/898109227.db2.gz MLQZBKMGTRSZHK-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C#N)C2)C1 ZINC001272885991 898119267 /nfs/dbraw/zinc/11/92/67/898119267.db2.gz FGILEDCZLNYYET-CHWSQXEVSA-N 1 2 293.367 0.301 20 30 CCEDLO COCCOC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C#N)C2)C1 ZINC001272885991 898119270 /nfs/dbraw/zinc/11/92/70/898119270.db2.gz FGILEDCZLNYYET-CHWSQXEVSA-N 1 2 293.367 0.301 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272885816 898119614 /nfs/dbraw/zinc/11/96/14/898119614.db2.gz BLQHHAXNMZBCBQ-DGCLKSJQSA-N 1 2 270.336 0.819 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCOC1 ZINC001032786925 898205417 /nfs/dbraw/zinc/20/54/17/898205417.db2.gz YYPYPOOQAYPVQY-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCOC1 ZINC001032786925 898205433 /nfs/dbraw/zinc/20/54/33/898205433.db2.gz YYPYPOOQAYPVQY-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001032791231 898242599 /nfs/dbraw/zinc/24/25/99/898242599.db2.gz MEGODEHULXAJCD-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001032791231 898242610 /nfs/dbraw/zinc/24/26/10/898242610.db2.gz MEGODEHULXAJCD-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001078126845 898246969 /nfs/dbraw/zinc/24/69/69/898246969.db2.gz KBEKAOBASOWGSA-IAGOWNOFSA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001078126845 898246983 /nfs/dbraw/zinc/24/69/83/898246983.db2.gz KBEKAOBASOWGSA-IAGOWNOFSA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001078248779 898314252 /nfs/dbraw/zinc/31/42/52/898314252.db2.gz ZFTQCYJUVKJTJF-MGPQQGTHSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001078248779 898314247 /nfs/dbraw/zinc/31/42/47/898314247.db2.gz ZFTQCYJUVKJTJF-MGPQQGTHSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043140186 898372659 /nfs/dbraw/zinc/37/26/59/898372659.db2.gz LJGJBUQUEISOTB-LBPRGKRZSA-N 1 2 272.352 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001486181937 898699602 /nfs/dbraw/zinc/69/96/02/898699602.db2.gz WBARWGSXGNBGCW-GHMZBOCLSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001486181937 898699613 /nfs/dbraw/zinc/69/96/13/898699613.db2.gz WBARWGSXGNBGCW-GHMZBOCLSA-N 1 2 299.802 0.974 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001191872796 900023063 /nfs/dbraw/zinc/02/30/63/900023063.db2.gz PCCCZJPBDFYXJV-IWSPIJDZSA-N 1 2 279.262 0.260 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001191872796 900023053 /nfs/dbraw/zinc/02/30/53/900023053.db2.gz PCCCZJPBDFYXJV-IWSPIJDZSA-N 1 2 279.262 0.260 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001494876481 900089071 /nfs/dbraw/zinc/08/90/71/900089071.db2.gz POGURKDFDIGGEF-VXGBXAGGSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001494876481 900089083 /nfs/dbraw/zinc/08/90/83/900089083.db2.gz POGURKDFDIGGEF-VXGBXAGGSA-N 1 2 288.413 0.386 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001489780552 900519343 /nfs/dbraw/zinc/51/93/43/900519343.db2.gz DKIPCHAOYCQICS-CMPLNLGQSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2CC23CCCC3)CC1 ZINC001490509285 900658672 /nfs/dbraw/zinc/65/86/72/900658672.db2.gz JMZKNMFNVPLVIR-OAHLLOKOSA-N 1 2 289.423 0.934 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490566486 900669361 /nfs/dbraw/zinc/66/93/61/900669361.db2.gz UCFZQLRUIHPTET-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490566486 900669367 /nfs/dbraw/zinc/66/93/67/900669367.db2.gz UCFZQLRUIHPTET-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114348262 900754091 /nfs/dbraw/zinc/75/40/91/900754091.db2.gz KIOOLINNBBGOHA-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114348262 900754095 /nfs/dbraw/zinc/75/40/95/900754095.db2.gz KIOOLINNBBGOHA-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO COCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C#CC(C)C)O2 ZINC001327350788 914492390 /nfs/dbraw/zinc/49/23/90/914492390.db2.gz VJADCFUWQAZSOV-CQSZACIVSA-N 1 2 294.395 0.642 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001327408917 914524901 /nfs/dbraw/zinc/52/49/01/914524901.db2.gz VMHBISQPERQSPQ-GFCCVEGCSA-N 1 2 282.384 0.541 20 30 CCEDLO C[C@H](O)[C@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995213 902448981 /nfs/dbraw/zinc/44/89/81/902448981.db2.gz LDOUOCLPMWJDQF-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995213 902448993 /nfs/dbraw/zinc/44/89/93/902448993.db2.gz LDOUOCLPMWJDQF-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO N#CCC1(CS(=O)(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001413362120 902903805 /nfs/dbraw/zinc/90/38/05/902903805.db2.gz UPLFLWXASHBJHC-UHFFFAOYSA-N 1 2 280.353 0.722 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1cnsn1 ZINC001491396510 903539313 /nfs/dbraw/zinc/53/93/13/903539313.db2.gz BRQPTNRCJYVERH-QMMMGPOBSA-N 1 2 285.398 0.389 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001491415823 903564575 /nfs/dbraw/zinc/56/45/75/903564575.db2.gz UFNKEKKLKJAAGK-BDAKNGLRSA-N 1 2 283.763 0.827 20 30 CCEDLO Cc1cc(CNC(=O)NCC(=O)NCC#N)cc(C)[nH+]1 ZINC001248537368 904008435 /nfs/dbraw/zinc/00/84/35/904008435.db2.gz QWZSDOMKIBBNLP-UHFFFAOYSA-N 1 2 275.312 0.137 20 30 CCEDLO CN(CCC[N@H+](C)Cc1nncn1C)C(=O)C#CC1CC1 ZINC001280804313 904015229 /nfs/dbraw/zinc/01/52/29/904015229.db2.gz ADRNCKJYTGYSEV-UHFFFAOYSA-N 1 2 289.383 0.509 20 30 CCEDLO CN(CCC[N@@H+](C)Cc1nncn1C)C(=O)C#CC1CC1 ZINC001280804313 904015237 /nfs/dbraw/zinc/01/52/37/904015237.db2.gz ADRNCKJYTGYSEV-UHFFFAOYSA-N 1 2 289.383 0.509 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CNCC#N ZINC001281890629 904362449 /nfs/dbraw/zinc/36/24/49/904362449.db2.gz VXOZZNBNZOIICQ-LBPRGKRZSA-N 1 2 275.356 0.755 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)CSCC#N)o1 ZINC001282095671 904412470 /nfs/dbraw/zinc/41/24/70/904412470.db2.gz MPVKUEDKRNAWJX-BDAKNGLRSA-N 1 2 297.384 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001282444657 904477827 /nfs/dbraw/zinc/47/78/27/904477827.db2.gz VCEXLIHHHGUEAR-UWVGGRQHSA-N 1 2 273.764 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001282444657 904477832 /nfs/dbraw/zinc/47/78/32/904477832.db2.gz VCEXLIHHHGUEAR-UWVGGRQHSA-N 1 2 273.764 0.312 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283266442 904784733 /nfs/dbraw/zinc/78/47/33/904784733.db2.gz ZIFFYSBSEIXVJP-WDEREUQCSA-N 1 2 291.355 0.370 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001283266442 904784755 /nfs/dbraw/zinc/78/47/55/904784755.db2.gz ZIFFYSBSEIXVJP-WDEREUQCSA-N 1 2 291.355 0.370 20 30 CCEDLO C#CC[N@@H+](Cc1cn(CC(=O)OC)nn1)CC1CC1 ZINC001327940089 914875448 /nfs/dbraw/zinc/87/54/48/914875448.db2.gz OZPVVSMEASHMEK-UHFFFAOYSA-N 1 2 262.313 0.296 20 30 CCEDLO C#CC[N@H+](Cc1cn(CC(=O)OC)nn1)CC1CC1 ZINC001327940089 914875468 /nfs/dbraw/zinc/87/54/68/914875468.db2.gz OZPVVSMEASHMEK-UHFFFAOYSA-N 1 2 262.313 0.296 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC001377840117 905182120 /nfs/dbraw/zinc/18/21/20/905182120.db2.gz HKGHJUYZIXUSFR-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001377840117 905182132 /nfs/dbraw/zinc/18/21/32/905182132.db2.gz HKGHJUYZIXUSFR-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001378103507 905422389 /nfs/dbraw/zinc/42/23/89/905422389.db2.gz QOYWEXGGXVQEQB-WCQYABFASA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001378103507 905422395 /nfs/dbraw/zinc/42/23/95/905422395.db2.gz QOYWEXGGXVQEQB-WCQYABFASA-N 1 2 288.351 0.940 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001287607637 905936965 /nfs/dbraw/zinc/93/69/65/905936965.db2.gz NWLAWRPBAUBMIG-ZDUSSCGKSA-N 1 2 290.367 0.506 20 30 CCEDLO CCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001379113751 906003595 /nfs/dbraw/zinc/00/35/95/906003595.db2.gz ZTWKHLGSOGCNDX-VHSXEESVSA-N 1 2 279.344 0.728 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1O ZINC001298232652 907190152 /nfs/dbraw/zinc/19/01/52/907190152.db2.gz STNCFIRJQVFDAY-NSHDSACASA-N 1 2 268.276 0.815 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001317299952 908051903 /nfs/dbraw/zinc/05/19/03/908051903.db2.gz PTBFXXWOCHLYPA-QWRGUYRKSA-N 1 2 294.380 0.267 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cc(OC)no1 ZINC001317445440 908241606 /nfs/dbraw/zinc/24/16/06/908241606.db2.gz VUMXABRZXKGSGD-CQSZACIVSA-N 1 2 297.355 0.558 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1cc(OC)no1 ZINC001317445440 908241617 /nfs/dbraw/zinc/24/16/17/908241617.db2.gz VUMXABRZXKGSGD-CQSZACIVSA-N 1 2 297.355 0.558 20 30 CCEDLO CN(C)c1nc2c(s1)C[N@H+](C[C@H](O)CC#N)CC2 ZINC001308047440 908370603 /nfs/dbraw/zinc/37/06/03/908370603.db2.gz CNNQYGPYYDUQKM-SECBINFHSA-N 1 2 266.370 0.842 20 30 CCEDLO CN(C)c1nc2c(s1)C[N@@H+](C[C@H](O)CC#N)CC2 ZINC001308047440 908370618 /nfs/dbraw/zinc/37/06/18/908370618.db2.gz CNNQYGPYYDUQKM-SECBINFHSA-N 1 2 266.370 0.842 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)c2cc[nH]c2C)CC1 ZINC001316964319 908701862 /nfs/dbraw/zinc/70/18/62/908701862.db2.gz RRXBWUPAFSQVKV-UHFFFAOYSA-N 1 2 288.395 0.694 20 30 CCEDLO C=CC[NH+]1CCC(N(C)C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001316934333 908854564 /nfs/dbraw/zinc/85/45/64/908854564.db2.gz ONZQAXFGIKLXLV-NSHDSACASA-N 1 2 288.413 0.528 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001317240682 909080168 /nfs/dbraw/zinc/08/01/68/909080168.db2.gz YVICVCYBCUXUET-SNVBAGLBSA-N 1 2 266.370 0.792 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001317447914 909220665 /nfs/dbraw/zinc/22/06/65/909220665.db2.gz JGJSFMYXJLPCDM-UHFFFAOYSA-N 1 2 278.356 0.008 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001317447914 909220674 /nfs/dbraw/zinc/22/06/74/909220674.db2.gz JGJSFMYXJLPCDM-UHFFFAOYSA-N 1 2 278.356 0.008 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001317491709 909259481 /nfs/dbraw/zinc/25/94/81/909259481.db2.gz LUZPORVETGNBBL-GFCCVEGCSA-N 1 2 291.351 0.776 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001317491709 909259495 /nfs/dbraw/zinc/25/94/95/909259495.db2.gz LUZPORVETGNBBL-GFCCVEGCSA-N 1 2 291.351 0.776 20 30 CCEDLO CN(CC[NH2+]CC#Cc1ccccc1)C(=O)Cc1ncn[nH]1 ZINC001317649156 909443710 /nfs/dbraw/zinc/44/37/10/909443710.db2.gz RJFBJFCBFBLVBE-UHFFFAOYSA-N 1 2 297.362 0.447 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001317818507 909511359 /nfs/dbraw/zinc/51/13/59/909511359.db2.gz CPRHUGDEHMAKCN-GJZGRUSLSA-N 1 2 295.427 0.673 20 30 CCEDLO COCC[NH+]1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001318090031 909614811 /nfs/dbraw/zinc/61/48/11/909614811.db2.gz ZLUDPHNQXYYQKX-UHFFFAOYSA-N 1 2 272.348 0.875 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001318260304 909683056 /nfs/dbraw/zinc/68/30/56/909683056.db2.gz CPPWTNJLPKWJEE-LBPRGKRZSA-N 1 2 297.374 0.761 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001318260304 909683061 /nfs/dbraw/zinc/68/30/61/909683061.db2.gz CPPWTNJLPKWJEE-LBPRGKRZSA-N 1 2 297.374 0.761 20 30 CCEDLO C[C@H](C#N)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001318992209 909946083 /nfs/dbraw/zinc/94/60/83/909946083.db2.gz PMSSCHRUEWYXGK-LLVKDONJSA-N 1 2 252.362 0.288 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](CC=C)CCO1 ZINC001319297094 910081421 /nfs/dbraw/zinc/08/14/21/910081421.db2.gz LDXBAQCLFIBPSX-KBPBESRZSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CC=C)CCO1 ZINC001319297094 910081438 /nfs/dbraw/zinc/08/14/38/910081438.db2.gz LDXBAQCLFIBPSX-KBPBESRZSA-N 1 2 282.384 0.971 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCC=C ZINC001319980460 910387311 /nfs/dbraw/zinc/38/73/11/910387311.db2.gz BBYOKRCUZVYWRE-UHFFFAOYSA-N 1 2 265.357 0.092 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCC=C ZINC001319980460 910387333 /nfs/dbraw/zinc/38/73/33/910387333.db2.gz BBYOKRCUZVYWRE-UHFFFAOYSA-N 1 2 265.357 0.092 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCO[C@H]1C ZINC001320067806 910449396 /nfs/dbraw/zinc/44/93/96/910449396.db2.gz VSXFXHMQYGYICO-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCO[C@H]1C ZINC001320067806 910449410 /nfs/dbraw/zinc/44/94/10/910449410.db2.gz VSXFXHMQYGYICO-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001390758887 910658519 /nfs/dbraw/zinc/65/85/19/910658519.db2.gz SMBWWJSGKSDETG-UHFFFAOYSA-N 1 2 270.764 0.763 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001390758887 910658532 /nfs/dbraw/zinc/65/85/32/910658532.db2.gz SMBWWJSGKSDETG-UHFFFAOYSA-N 1 2 270.764 0.763 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001390782881 910672527 /nfs/dbraw/zinc/67/25/27/910672527.db2.gz NDPBUAIHTRKGCV-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001390782881 910672536 /nfs/dbraw/zinc/67/25/36/910672536.db2.gz NDPBUAIHTRKGCV-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn2c(n1)COCC2 ZINC001390782103 910674117 /nfs/dbraw/zinc/67/41/17/910674117.db2.gz GNBOJMVGOMQNLF-UHFFFAOYSA-N 1 2 298.774 0.827 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn2c(n1)COCC2 ZINC001390782103 910674125 /nfs/dbraw/zinc/67/41/25/910674125.db2.gz GNBOJMVGOMQNLF-UHFFFAOYSA-N 1 2 298.774 0.827 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC001320949081 910953364 /nfs/dbraw/zinc/95/33/64/910953364.db2.gz JUKGBVSHLLBBOT-LLVKDONJSA-N 1 2 293.371 0.024 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC001320949081 910953375 /nfs/dbraw/zinc/95/33/75/910953375.db2.gz JUKGBVSHLLBBOT-LLVKDONJSA-N 1 2 293.371 0.024 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001321065266 911059527 /nfs/dbraw/zinc/05/95/27/911059527.db2.gz SANIVUNBLVCSAE-VSQXVHSFSA-N 1 2 272.352 0.725 20 30 CCEDLO C[C@H](CN(C)CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322250130 911729467 /nfs/dbraw/zinc/72/94/67/911729467.db2.gz SERYXNOAMKKMKF-IJLUTSLNSA-N 1 2 275.356 0.484 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC001322839118 911980636 /nfs/dbraw/zinc/98/06/36/911980636.db2.gz XLVNGNFIYFCRIV-UHFFFAOYSA-N 1 2 276.340 0.566 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCCO1 ZINC001323194691 912171876 /nfs/dbraw/zinc/17/18/76/912171876.db2.gz RCPAMDSJKIGIIH-ZIAGYGMSSA-N 1 2 280.368 0.396 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCCO1 ZINC001323194691 912171882 /nfs/dbraw/zinc/17/18/82/912171882.db2.gz RCPAMDSJKIGIIH-ZIAGYGMSSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](OC)C3CC3)n2C)CC1 ZINC001339462565 921730901 /nfs/dbraw/zinc/73/09/01/921730901.db2.gz PFTFRUUVSWIZSJ-CYBMUJFWSA-N 1 2 289.383 0.668 20 30 CCEDLO C#CCCN1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001339474538 921733153 /nfs/dbraw/zinc/73/31/53/921733153.db2.gz IVVYOMNCHNACSG-CYBMUJFWSA-N 1 2 270.398 0.062 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccnn1C)C1CC1 ZINC001399995043 915497854 /nfs/dbraw/zinc/49/78/54/915497854.db2.gz INRUNDXHUMAYHX-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1ccnn1C)C1CC1 ZINC001399995043 915497866 /nfs/dbraw/zinc/49/78/66/915497866.db2.gz INRUNDXHUMAYHX-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001400006862 915499954 /nfs/dbraw/zinc/49/99/54/915499954.db2.gz NSGQVRVLZOBIKU-UHFFFAOYSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001400006862 915499962 /nfs/dbraw/zinc/49/99/62/915499962.db2.gz NSGQVRVLZOBIKU-UHFFFAOYSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001328943117 915517149 /nfs/dbraw/zinc/51/71/49/915517149.db2.gz PVASDJHYHPIUBS-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCC(C)(C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001329705833 916139540 /nfs/dbraw/zinc/13/95/40/916139540.db2.gz RJLACQHUSLYMTC-GFCCVEGCSA-N 1 2 284.400 0.523 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)OCC)C1 ZINC001329968928 916322940 /nfs/dbraw/zinc/32/29/40/916322940.db2.gz KVTSMSFNMJYPOR-NWDGAFQWSA-N 1 2 297.399 0.150 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001329996400 916348173 /nfs/dbraw/zinc/34/81/73/916348173.db2.gz CHXCOQRBAOIMCU-GHMZBOCLSA-N 1 2 279.384 0.346 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330170664 916447916 /nfs/dbraw/zinc/44/79/16/916447916.db2.gz LUWHBBXCSMNWPE-NSHDSACASA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330170664 916447924 /nfs/dbraw/zinc/44/79/24/916447924.db2.gz LUWHBBXCSMNWPE-NSHDSACASA-N 1 2 299.390 0.863 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001330170078 916448486 /nfs/dbraw/zinc/44/84/86/916448486.db2.gz GUHPVLAVVKIXJN-LLVKDONJSA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001330170078 916448496 /nfs/dbraw/zinc/44/84/96/916448496.db2.gz GUHPVLAVVKIXJN-LLVKDONJSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330404375 916611244 /nfs/dbraw/zinc/61/12/44/916611244.db2.gz LSYXGMBALNEGGX-STQMWFEESA-N 1 2 291.355 0.002 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001401867002 916644451 /nfs/dbraw/zinc/64/44/51/916644451.db2.gz DHJJQKIADJJPKW-MFKMUULPSA-N 1 2 275.356 0.579 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001401867002 916644469 /nfs/dbraw/zinc/64/44/69/916644469.db2.gz DHJJQKIADJJPKW-MFKMUULPSA-N 1 2 275.356 0.579 20 30 CCEDLO COCC#CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001330557736 916699767 /nfs/dbraw/zinc/69/97/67/916699767.db2.gz RIHVDWAEOKUVSB-UHFFFAOYSA-N 1 2 274.311 0.824 20 30 CCEDLO COCC#CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001330557736 916699772 /nfs/dbraw/zinc/69/97/72/916699772.db2.gz RIHVDWAEOKUVSB-UHFFFAOYSA-N 1 2 274.311 0.824 20 30 CCEDLO N#C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC001330582233 916716301 /nfs/dbraw/zinc/71/63/01/916716301.db2.gz PIYDJVAYVQGJCK-GXFFZTMASA-N 1 2 260.297 0.244 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC001330805541 916883033 /nfs/dbraw/zinc/88/30/33/916883033.db2.gz KVUOUOOEEXWQOQ-SNVBAGLBSA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC001330805541 916883040 /nfs/dbraw/zinc/88/30/40/916883040.db2.gz KVUOUOOEEXWQOQ-SNVBAGLBSA-N 1 2 261.329 0.789 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001330851353 916917104 /nfs/dbraw/zinc/91/71/04/916917104.db2.gz MMMNPAZFPYPXNL-QWHCGFSZSA-N 1 2 289.383 0.844 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CF)C1 ZINC001330922867 916972012 /nfs/dbraw/zinc/97/20/12/916972012.db2.gz BPBQMFCHBARNGP-MNOVXSKESA-N 1 2 272.320 0.641 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001331406904 917312769 /nfs/dbraw/zinc/31/27/69/917312769.db2.gz PELCBUHLUXMBQH-DTWKUNHWSA-N 1 2 265.317 0.474 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cn(C)nn1 ZINC001332447029 918163641 /nfs/dbraw/zinc/16/36/41/918163641.db2.gz BEPBJZHRTUJNIO-SECBINFHSA-N 1 2 258.347 0.067 20 30 CCEDLO N#Cc1cncc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC001333017634 918603312 /nfs/dbraw/zinc/60/33/12/918603312.db2.gz OVIMBFOEGOBHGD-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC001333017634 918603323 /nfs/dbraw/zinc/60/33/23/918603323.db2.gz OVIMBFOEGOBHGD-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC2(CC1)OCCO2 ZINC001333413179 918884016 /nfs/dbraw/zinc/88/40/16/918884016.db2.gz CYOQGABYWUTTNB-LLVKDONJSA-N 1 2 267.329 0.244 20 30 CCEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001333992709 919302441 /nfs/dbraw/zinc/30/24/41/919302441.db2.gz DLEOPXUQSCGCIC-NSHDSACASA-N 1 2 283.353 0.154 20 30 CCEDLO COCC#CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001334358693 919522406 /nfs/dbraw/zinc/52/24/06/919522406.db2.gz ZPBZBOCJZVQBGV-LBPRGKRZSA-N 1 2 259.309 0.426 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)C#CC1CC1 ZINC001334489900 919620657 /nfs/dbraw/zinc/62/06/57/919620657.db2.gz VRIYQWKDWJUELB-NSHDSACASA-N 1 2 288.351 0.329 20 30 CCEDLO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ncn(C)n1 ZINC001334651025 919692465 /nfs/dbraw/zinc/69/24/65/919692465.db2.gz UKIVIDLEOXHGKL-VHSXEESVSA-N 1 2 251.334 0.766 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001335205062 920018684 /nfs/dbraw/zinc/01/86/84/920018684.db2.gz XTPXZTFTMRSBQD-UHFFFAOYSA-N 1 2 277.324 0.354 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573110 922124891 /nfs/dbraw/zinc/12/48/91/922124891.db2.gz VQSUVTVFXLUJFS-MFKMUULPSA-N 1 2 281.360 0.373 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573110 922124902 /nfs/dbraw/zinc/12/49/02/922124902.db2.gz VQSUVTVFXLUJFS-MFKMUULPSA-N 1 2 281.360 0.373 20 30 CCEDLO COc1nccc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)n1 ZINC001418449047 922128722 /nfs/dbraw/zinc/12/87/22/922128722.db2.gz QDTQOJVWCHCCCY-JTQLQIEISA-N 1 2 277.328 0.193 20 30 CCEDLO COc1nccc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)n1 ZINC001418449047 922128728 /nfs/dbraw/zinc/12/87/28/922128728.db2.gz QDTQOJVWCHCCCY-JTQLQIEISA-N 1 2 277.328 0.193 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001341808243 922682080 /nfs/dbraw/zinc/68/20/80/922682080.db2.gz FBTSUAJDPNHYOJ-STQMWFEESA-N 1 2 289.383 0.810 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001341808243 922682086 /nfs/dbraw/zinc/68/20/86/922682086.db2.gz FBTSUAJDPNHYOJ-STQMWFEESA-N 1 2 289.383 0.810 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001479268608 923078425 /nfs/dbraw/zinc/07/84/25/923078425.db2.gz AFKADCVCHLDRKG-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001479268608 923078437 /nfs/dbraw/zinc/07/84/37/923078437.db2.gz AFKADCVCHLDRKG-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO C#C[C@@H](CC)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001344339846 923581675 /nfs/dbraw/zinc/58/16/75/923581675.db2.gz MDIHEYAZOFWHFX-MJBXVCDLSA-N 1 2 281.352 0.821 20 30 CCEDLO COc1coc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1=O ZINC001344534923 923628587 /nfs/dbraw/zinc/62/85/87/923628587.db2.gz QOHMILKVHKOQEY-UHFFFAOYSA-N 1 2 291.307 0.366 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC001421285722 924256591 /nfs/dbraw/zinc/25/65/91/924256591.db2.gz YAYSIECAICUSJJ-RISCZKNCSA-N 1 2 291.355 0.948 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC001421285722 924256600 /nfs/dbraw/zinc/25/66/00/924256600.db2.gz YAYSIECAICUSJJ-RISCZKNCSA-N 1 2 291.355 0.948 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349878713 925082462 /nfs/dbraw/zinc/08/24/62/925082462.db2.gz FQFKCRFKAPKGLI-QWHCGFSZSA-N 1 2 268.405 0.886 20 30 CCEDLO C=C1CCN(c2nnc([C@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001351132282 925365852 /nfs/dbraw/zinc/36/58/52/925365852.db2.gz IJWHFRWQGIPUPX-VXGBXAGGSA-N 1 2 277.372 0.709 20 30 CCEDLO C=C1CCN(c2nnc([C@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001351132282 925365857 /nfs/dbraw/zinc/36/58/57/925365857.db2.gz IJWHFRWQGIPUPX-VXGBXAGGSA-N 1 2 277.372 0.709 20 30 CCEDLO C=CC[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001351442992 925419763 /nfs/dbraw/zinc/41/97/63/925419763.db2.gz SGSKBQOMCODOMG-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001351442992 925419769 /nfs/dbraw/zinc/41/97/69/925419769.db2.gz SGSKBQOMCODOMG-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352310888 925558638 /nfs/dbraw/zinc/55/86/38/925558638.db2.gz VTHZXUATBIKDAP-YWPYICTPSA-N 1 2 291.399 0.668 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001352310888 925558645 /nfs/dbraw/zinc/55/86/45/925558645.db2.gz VTHZXUATBIKDAP-YWPYICTPSA-N 1 2 291.399 0.668 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001352972627 925686975 /nfs/dbraw/zinc/68/69/75/925686975.db2.gz IDHVTDFZTITLKL-LLVKDONJSA-N 1 2 276.340 0.636 20 30 CCEDLO C=CCCC(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001353064530 925720426 /nfs/dbraw/zinc/72/04/26/925720426.db2.gz QPNGCVBETJSSAO-LBPRGKRZSA-N 1 2 290.367 0.929 20 30 CCEDLO C#CCCCC(=O)NCCN(CC)C(=O)Cn1cc[nH+]c1 ZINC001356033092 926338225 /nfs/dbraw/zinc/33/82/25/926338225.db2.gz JFJGFTHBURFAKN-UHFFFAOYSA-N 1 2 290.367 0.651 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001358537155 926737841 /nfs/dbraw/zinc/73/78/41/926737841.db2.gz YHHOHOWGKKVFJJ-NSHDSACASA-N 1 2 276.340 0.377 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001422156710 927110570 /nfs/dbraw/zinc/11/05/70/927110570.db2.gz TZMDYBONWMOSJL-UHFFFAOYSA-N 1 2 271.752 0.571 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001422156710 927110580 /nfs/dbraw/zinc/11/05/80/927110580.db2.gz TZMDYBONWMOSJL-UHFFFAOYSA-N 1 2 271.752 0.571 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001423563475 927921863 /nfs/dbraw/zinc/92/18/63/927921863.db2.gz RIPYZIPWNMURCR-UHFFFAOYSA-N 1 2 291.355 0.154 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001423563475 927921871 /nfs/dbraw/zinc/92/18/71/927921871.db2.gz RIPYZIPWNMURCR-UHFFFAOYSA-N 1 2 291.355 0.154 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1ccon1 ZINC001424920871 928344928 /nfs/dbraw/zinc/34/49/28/928344928.db2.gz JJRDICDOQBSOOW-UWVGGRQHSA-N 1 2 293.327 0.209 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1ccon1 ZINC001424920871 928344932 /nfs/dbraw/zinc/34/49/32/928344932.db2.gz JJRDICDOQBSOOW-UWVGGRQHSA-N 1 2 293.327 0.209 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C#N)nc1 ZINC001363143337 928917132 /nfs/dbraw/zinc/91/71/32/928917132.db2.gz MNQDEGRVZFVRNA-LLVKDONJSA-N 1 2 271.280 0.150 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001427064690 928964166 /nfs/dbraw/zinc/96/41/66/928964166.db2.gz IPROPYSANIERFA-ZJUUUORDSA-N 1 2 289.339 0.075 20 30 CCEDLO Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)ncc1C#N ZINC001363283706 929074124 /nfs/dbraw/zinc/07/41/24/929074124.db2.gz SBTLBEVOBSLAPD-LBPRGKRZSA-N 1 2 285.307 0.318 20 30 CCEDLO Cc1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)ncc1C#N ZINC001363283706 929074130 /nfs/dbraw/zinc/07/41/30/929074130.db2.gz SBTLBEVOBSLAPD-LBPRGKRZSA-N 1 2 285.307 0.318 20 30 CCEDLO N#Cc1ccc(CCC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001363518492 929323476 /nfs/dbraw/zinc/32/34/76/929323476.db2.gz FXZCJSOUYQVLEW-HNNXBMFYSA-N 1 2 298.346 0.934 20 30 CCEDLO N#Cc1ccc(CCC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001363518492 929323486 /nfs/dbraw/zinc/32/34/86/929323486.db2.gz FXZCJSOUYQVLEW-HNNXBMFYSA-N 1 2 298.346 0.934 20 30 CCEDLO C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001429056253 929370256 /nfs/dbraw/zinc/37/02/56/929370256.db2.gz URGVAZIGLWRBAQ-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@@H](C)C#N ZINC001429056253 929370269 /nfs/dbraw/zinc/37/02/69/929370269.db2.gz URGVAZIGLWRBAQ-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001363781695 929569435 /nfs/dbraw/zinc/56/94/35/929569435.db2.gz GITMICHIZSPIAE-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(CC2CC2)no1)NC(=O)[C@H](C)C#N ZINC001445357995 930112598 /nfs/dbraw/zinc/11/25/98/930112598.db2.gz VMQHHAFWRPWECN-NXEZZACHSA-N 1 2 291.355 0.776 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001373393104 930172668 /nfs/dbraw/zinc/17/26/68/930172668.db2.gz LXHPKEAZGRABEU-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001373393104 930172676 /nfs/dbraw/zinc/17/26/76/930172676.db2.gz LXHPKEAZGRABEU-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001373542515 930240114 /nfs/dbraw/zinc/24/01/14/930240114.db2.gz FQHJHWIUQBLCML-NSHDSACASA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001446776335 930482320 /nfs/dbraw/zinc/48/23/20/930482320.db2.gz ZYUKNDMTTOIXBB-CYBMUJFWSA-N 1 2 298.774 0.637 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001446776335 930482334 /nfs/dbraw/zinc/48/23/34/930482334.db2.gz ZYUKNDMTTOIXBB-CYBMUJFWSA-N 1 2 298.774 0.637 20 30 CCEDLO CCn1nncc1C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001374470806 930519786 /nfs/dbraw/zinc/51/97/86/930519786.db2.gz HONYREJLOVQDHS-NSHDSACASA-N 1 2 278.360 0.348 20 30 CCEDLO CCn1nncc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001374470806 930519791 /nfs/dbraw/zinc/51/97/91/930519791.db2.gz HONYREJLOVQDHS-NSHDSACASA-N 1 2 278.360 0.348 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001448033257 930791984 /nfs/dbraw/zinc/79/19/84/930791984.db2.gz LCTCGINTGXZRIW-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001448033257 930791981 /nfs/dbraw/zinc/79/19/81/930791981.db2.gz LCTCGINTGXZRIW-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(C=O)CC2)c1 ZINC000273035097 192026939 /nfs/dbraw/zinc/02/69/39/192026939.db2.gz YOKKSIQFDMONCB-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000273035097 192026940 /nfs/dbraw/zinc/02/69/40/192026940.db2.gz YOKKSIQFDMONCB-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO Cc1ccnc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000273053037 192031480 /nfs/dbraw/zinc/03/14/80/192031480.db2.gz RGVVCVBTSTVMIP-LBPRGKRZSA-N 1 2 276.340 0.367 20 30 CCEDLO Cn1[nH]c(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc1=O ZINC000599677563 361783581 /nfs/dbraw/zinc/78/35/81/361783581.db2.gz MFFICGDGSRNZOY-UHFFFAOYSA-N 1 2 283.335 0.733 20 30 CCEDLO Cn1[nH]c(C[N@H+]2CCc3c(CC#N)cccc3C2)nc1=O ZINC000599677563 361783586 /nfs/dbraw/zinc/78/35/86/361783586.db2.gz MFFICGDGSRNZOY-UHFFFAOYSA-N 1 2 283.335 0.733 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685241 361786201 /nfs/dbraw/zinc/78/62/01/361786201.db2.gz BPDUMPCMTIUGCW-UHFFFAOYSA-N 1 2 286.335 0.566 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685241 361786205 /nfs/dbraw/zinc/78/62/05/361786205.db2.gz BPDUMPCMTIUGCW-UHFFFAOYSA-N 1 2 286.335 0.566 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000599688799 361788056 /nfs/dbraw/zinc/78/80/56/361788056.db2.gz BHORRGUCKQXZFE-LLVKDONJSA-N 1 2 271.386 0.551 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000599688799 361788060 /nfs/dbraw/zinc/78/80/60/361788060.db2.gz BHORRGUCKQXZFE-LLVKDONJSA-N 1 2 271.386 0.551 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C#N)CCOCC1 ZINC000600420232 361957592 /nfs/dbraw/zinc/95/75/92/361957592.db2.gz ONLULMYXRMUCGC-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C#N)CCOCC1 ZINC000600420232 361957596 /nfs/dbraw/zinc/95/75/96/361957596.db2.gz ONLULMYXRMUCGC-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106869570 349733095 /nfs/dbraw/zinc/73/30/95/349733095.db2.gz AOBJGTLQHHECLG-LLVKDONJSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106869570 349733097 /nfs/dbraw/zinc/73/30/97/349733097.db2.gz AOBJGTLQHHECLG-LLVKDONJSA-N 1 2 283.372 0.888 20 30 CCEDLO N#CCCN1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000601262669 362194736 /nfs/dbraw/zinc/19/47/36/362194736.db2.gz RXQOXYGDKOMLFH-UHFFFAOYSA-N 1 2 283.339 0.698 20 30 CCEDLO C[C@@H](O)CNc1cc(N2CCN(CCC#N)CC2)nc[nH+]1 ZINC000601262771 362194798 /nfs/dbraw/zinc/19/47/98/362194798.db2.gz YUDLVYCWBKDCRL-GFCCVEGCSA-N 1 2 290.371 0.305 20 30 CCEDLO N#Cc1cncnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253477 362190394 /nfs/dbraw/zinc/19/03/94/362190394.db2.gz PORMADDZMHAFID-UHFFFAOYSA-N 1 2 295.350 0.503 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000329088938 529782432 /nfs/dbraw/zinc/78/24/32/529782432.db2.gz IFQHPMKQLCNHHJ-ZDUSSCGKSA-N 1 2 297.399 0.528 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000329088938 529782434 /nfs/dbraw/zinc/78/24/34/529782434.db2.gz IFQHPMKQLCNHHJ-ZDUSSCGKSA-N 1 2 297.399 0.528 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000115371628 349853514 /nfs/dbraw/zinc/85/35/14/349853514.db2.gz UFAFEIITZUCNPA-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330275719 529854942 /nfs/dbraw/zinc/85/49/42/529854942.db2.gz LXDMLJLXWWBHOF-NSHDSACASA-N 1 2 278.356 0.959 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000601784828 362391565 /nfs/dbraw/zinc/39/15/65/362391565.db2.gz HQXPJGBIHQOFHC-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO CCOCCOC1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000601960344 362438885 /nfs/dbraw/zinc/43/88/85/362438885.db2.gz VAWRYHGNFDEFRC-GFCCVEGCSA-N 1 2 268.357 0.778 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2F)[C@@H](CO)C1 ZINC000601979654 362449532 /nfs/dbraw/zinc/44/95/32/362449532.db2.gz KNERXMSZAJCEEW-SNVBAGLBSA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2F)[C@@H](CO)C1 ZINC000601979654 362449536 /nfs/dbraw/zinc/44/95/36/362449536.db2.gz KNERXMSZAJCEEW-SNVBAGLBSA-N 1 2 250.277 0.205 20 30 CCEDLO N#CCCN1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000602205513 362557988 /nfs/dbraw/zinc/55/79/88/362557988.db2.gz BQIUNDFLDGPMRV-UHFFFAOYSA-N 1 2 297.362 0.935 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602433830 362613168 /nfs/dbraw/zinc/61/31/68/362613168.db2.gz DYTPTVGHYZFCLJ-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602433830 362613174 /nfs/dbraw/zinc/61/31/74/362613174.db2.gz DYTPTVGHYZFCLJ-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO C[C@@H](O)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602802129 362808788 /nfs/dbraw/zinc/80/87/88/362808788.db2.gz XGVYPDORZUXJBP-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccn2)C[C@@H](C)N1CC#N ZINC000602847391 362834625 /nfs/dbraw/zinc/83/46/25/362834625.db2.gz BAGMENADKXXFOD-CHWSQXEVSA-N 1 2 287.367 0.938 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NCC2CC2)C[C@H](C)N1CC#N ZINC000602853519 362840333 /nfs/dbraw/zinc/84/03/33/362840333.db2.gz JMNAUPAAIBSOBQ-RYUDHWBXSA-N 1 2 264.373 0.431 20 30 CCEDLO CCCCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855366 362841629 /nfs/dbraw/zinc/84/16/29/362841629.db2.gz HHIPKWJYFBKWFR-STQMWFEESA-N 1 2 266.389 0.821 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857094 362843143 /nfs/dbraw/zinc/84/31/43/362843143.db2.gz OOWFVDHQXQXLKU-SRVKXCTJSA-N 1 2 295.387 0.139 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000602861802 362847890 /nfs/dbraw/zinc/84/78/90/362847890.db2.gz JJJFIDTTZDBGNC-AAEUAGOBSA-N 1 2 273.336 0.998 20 30 CCEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H](C)O ZINC000343942706 137168467 /nfs/dbraw/zinc/16/84/67/137168467.db2.gz PMZONUXVYARZIA-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H](C)O ZINC000343942706 137168468 /nfs/dbraw/zinc/16/84/68/137168468.db2.gz PMZONUXVYARZIA-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)CC#N)CCCCC1 ZINC000602867894 362851609 /nfs/dbraw/zinc/85/16/09/362851609.db2.gz FNJFJVWJDVKVNP-NSHDSACASA-N 1 2 281.356 0.870 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000602938381 362899147 /nfs/dbraw/zinc/89/91/47/362899147.db2.gz PLZULVNFJFTJJP-NSHDSACASA-N 1 2 263.345 0.911 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000602938381 362899150 /nfs/dbraw/zinc/89/91/50/362899150.db2.gz PLZULVNFJFTJJP-NSHDSACASA-N 1 2 263.345 0.911 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000046171269 348352469 /nfs/dbraw/zinc/35/24/69/348352469.db2.gz DVIZWOYEMKKDED-NSHDSACASA-N 1 2 278.356 0.279 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000046171269 348352471 /nfs/dbraw/zinc/35/24/71/348352471.db2.gz DVIZWOYEMKKDED-NSHDSACASA-N 1 2 278.356 0.279 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](OC)C[C@@]2(C)C(=O)OC)C1=O ZINC000602945891 362903160 /nfs/dbraw/zinc/90/31/60/362903160.db2.gz SLLQRRAJIGKZDA-XUJVJEKNSA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](OC)C[C@@]2(C)C(=O)OC)C1=O ZINC000602945891 362903165 /nfs/dbraw/zinc/90/31/65/362903165.db2.gz SLLQRRAJIGKZDA-XUJVJEKNSA-N 1 2 296.367 0.426 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)N(C)C ZINC000049973994 348462156 /nfs/dbraw/zinc/46/21/56/348462156.db2.gz CDVHDKNZTZQHQF-UHFFFAOYSA-N 1 2 255.362 0.431 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000049973994 348462164 /nfs/dbraw/zinc/46/21/64/348462164.db2.gz CDVHDKNZTZQHQF-UHFFFAOYSA-N 1 2 255.362 0.431 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000049981242 348462909 /nfs/dbraw/zinc/46/29/09/348462909.db2.gz JWFBGCHWJLCTLE-UHFFFAOYSA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000049981242 348462912 /nfs/dbraw/zinc/46/29/12/348462912.db2.gz JWFBGCHWJLCTLE-UHFFFAOYSA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052635975 348511966 /nfs/dbraw/zinc/51/19/66/348511966.db2.gz KZUJXQYPCOVYCK-ZDUSSCGKSA-N 1 2 274.368 0.894 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1scnc1C ZINC000066565066 348748617 /nfs/dbraw/zinc/74/86/17/348748617.db2.gz HEPYPRBDDXLTTA-UHFFFAOYSA-N 1 2 282.369 0.895 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1scnc1C ZINC000066565066 348748620 /nfs/dbraw/zinc/74/86/20/348748620.db2.gz HEPYPRBDDXLTTA-UHFFFAOYSA-N 1 2 282.369 0.895 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000070742405 348895757 /nfs/dbraw/zinc/89/57/57/348895757.db2.gz HWEALKWZYDVUJY-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000273998776 192395567 /nfs/dbraw/zinc/39/55/67/192395567.db2.gz KMIJPSFYVNRRKN-NSHDSACASA-N 1 2 265.361 0.890 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000078803644 349154086 /nfs/dbraw/zinc/15/40/86/349154086.db2.gz FEQPPOOFWISZFG-NSHDSACASA-N 1 2 298.387 0.187 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000078803644 349154088 /nfs/dbraw/zinc/15/40/88/349154088.db2.gz FEQPPOOFWISZFG-NSHDSACASA-N 1 2 298.387 0.187 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cn1 ZINC000081018448 349240894 /nfs/dbraw/zinc/24/08/94/349240894.db2.gz FSNFKXIFCKNSRB-ZDUSSCGKSA-N 1 2 276.340 0.083 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000130481833 350239072 /nfs/dbraw/zinc/23/90/72/350239072.db2.gz HPAQYDCIKDCDNE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000130481833 350239073 /nfs/dbraw/zinc/23/90/73/350239073.db2.gz HPAQYDCIKDCDNE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c(F)c1 ZINC000091752998 180246060 /nfs/dbraw/zinc/24/60/60/180246060.db2.gz JYIKMWQTMILRAP-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c(F)c1 ZINC000091752998 180246064 /nfs/dbraw/zinc/24/60/64/180246064.db2.gz JYIKMWQTMILRAP-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]cn1C ZINC000155721525 350621965 /nfs/dbraw/zinc/62/19/65/350621965.db2.gz UREXRWGVCILEME-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000110656994 186311375 /nfs/dbraw/zinc/31/13/75/186311375.db2.gz VWGRZONHGYXJNQ-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000110656994 186311377 /nfs/dbraw/zinc/31/13/77/186311377.db2.gz VWGRZONHGYXJNQ-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO N#Cc1ccccc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603174198 362984508 /nfs/dbraw/zinc/98/45/08/362984508.db2.gz QDMCIRXKTGQRIH-AWEZNQCLSA-N 1 2 269.308 0.859 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C)c1 ZINC000176376352 351171395 /nfs/dbraw/zinc/17/13/95/351171395.db2.gz GYRXAYRQQRJTPW-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C)c1 ZINC000176376352 351171398 /nfs/dbraw/zinc/17/13/98/351171398.db2.gz GYRXAYRQQRJTPW-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000175803282 351144535 /nfs/dbraw/zinc/14/45/35/351144535.db2.gz KRXHVFUCKRIHTQ-NEPJUHHUSA-N 1 2 294.424 0.233 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186053540 351473825 /nfs/dbraw/zinc/47/38/25/351473825.db2.gz WUPVPSVAWJSSPP-SECBINFHSA-N 1 2 290.285 0.968 20 30 CCEDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])c(C#N)n2)C[C@@H](C)O1 ZINC000603357771 363086846 /nfs/dbraw/zinc/08/68/46/363086846.db2.gz GBTCWTWFYAGEAR-NXEZZACHSA-N 1 2 279.300 0.772 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)[NH+]1CCN(C)CC1 ZINC000123532597 187097422 /nfs/dbraw/zinc/09/74/22/187097422.db2.gz DRBQJTPKBQDJEP-LLVKDONJSA-N 1 2 260.345 0.396 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000225434555 352004523 /nfs/dbraw/zinc/00/45/23/352004523.db2.gz BSGKVNDMVXKDLY-KGLIPLIRSA-N 1 2 288.351 0.442 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000225434555 352004529 /nfs/dbraw/zinc/00/45/29/352004529.db2.gz BSGKVNDMVXKDLY-KGLIPLIRSA-N 1 2 288.351 0.442 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234357349 352158064 /nfs/dbraw/zinc/15/80/64/352158064.db2.gz CEXNXWBHGNJQGU-VIFPVBQESA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234357349 352158067 /nfs/dbraw/zinc/15/80/67/352158067.db2.gz CEXNXWBHGNJQGU-VIFPVBQESA-N 1 2 277.284 0.604 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603625312 363150920 /nfs/dbraw/zinc/15/09/20/363150920.db2.gz KZRIMRYHCNJPED-GFCCVEGCSA-N 1 2 283.397 0.566 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000264778623 352596991 /nfs/dbraw/zinc/59/69/91/352596991.db2.gz RLKUXYJYVYGDLW-KXPUMZMLSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000264778623 352596994 /nfs/dbraw/zinc/59/69/94/352596994.db2.gz RLKUXYJYVYGDLW-KXPUMZMLSA-N 1 2 298.390 0.933 20 30 CCEDLO N#Cc1cnc(NC[C@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000265135113 352621638 /nfs/dbraw/zinc/62/16/38/352621638.db2.gz OFJLMBIKGVYKEF-NSHDSACASA-N 1 2 296.758 0.712 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCc1c[nH+]cn1C ZINC000268329993 352825442 /nfs/dbraw/zinc/82/54/42/352825442.db2.gz PSBGMJBFWZEZDH-UHFFFAOYSA-N 1 2 251.315 0.783 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295163327 199380814 /nfs/dbraw/zinc/38/08/14/199380814.db2.gz DKIFNPVDJCDPMF-QWHCGFSZSA-N 1 2 273.336 0.815 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(C)C)n1 ZINC000279775441 353315092 /nfs/dbraw/zinc/31/50/92/353315092.db2.gz TWOYBOULJDKPBD-LBPRGKRZSA-N 1 2 262.357 0.815 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(C)C)n1 ZINC000279775441 353315095 /nfs/dbraw/zinc/31/50/95/353315095.db2.gz TWOYBOULJDKPBD-LBPRGKRZSA-N 1 2 262.357 0.815 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(N)=O ZINC000286627914 353600675 /nfs/dbraw/zinc/60/06/75/353600675.db2.gz YBFIPKKVVTYETA-CYBMUJFWSA-N 1 2 275.308 0.580 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(N)=O ZINC000286627914 353600677 /nfs/dbraw/zinc/60/06/77/353600677.db2.gz YBFIPKKVVTYETA-CYBMUJFWSA-N 1 2 275.308 0.580 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C)nn2)CC1 ZINC000605433096 363253294 /nfs/dbraw/zinc/25/32/94/363253294.db2.gz QGDLJLGDPKCUJP-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO CCOc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)on1 ZINC000518382787 260392853 /nfs/dbraw/zinc/39/28/53/260392853.db2.gz CRIZJPALDKHNJL-GFCCVEGCSA-N 1 2 266.301 0.647 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC(=O)N1 ZINC000296083499 353930546 /nfs/dbraw/zinc/93/05/46/353930546.db2.gz FHJWKLFYXHLJFX-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(=O)N1 ZINC000296083499 353930550 /nfs/dbraw/zinc/93/05/50/353930550.db2.gz FHJWKLFYXHLJFX-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO N#Cc1cccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000299255742 354003692 /nfs/dbraw/zinc/00/36/92/354003692.db2.gz GXIVVASWPJJYBB-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCn2cc[nH+]c2C1 ZINC000329867893 354267193 /nfs/dbraw/zinc/26/71/93/354267193.db2.gz WRXCRELAKOYRBC-NSHDSACASA-N 1 2 286.339 0.893 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@@H]21 ZINC000329572808 283011898 /nfs/dbraw/zinc/01/18/98/283011898.db2.gz NDBIIYVHDJFKNR-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@@H]21 ZINC000329572808 283011900 /nfs/dbraw/zinc/01/19/00/283011900.db2.gz NDBIIYVHDJFKNR-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000330480041 354374839 /nfs/dbraw/zinc/37/48/39/354374839.db2.gz ZYMYPCYLTAMASQ-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000330480041 354374840 /nfs/dbraw/zinc/37/48/40/354374840.db2.gz ZYMYPCYLTAMASQ-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccn1 ZINC000619058009 366174724 /nfs/dbraw/zinc/17/47/24/366174724.db2.gz HNJHEJLDLDCNCA-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccn1 ZINC000619058009 366174731 /nfs/dbraw/zinc/17/47/31/366174731.db2.gz HNJHEJLDLDCNCA-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270181413 283019465 /nfs/dbraw/zinc/01/94/65/283019465.db2.gz GNFCWVGPFYXPDN-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270181413 283019468 /nfs/dbraw/zinc/01/94/68/283019468.db2.gz GNFCWVGPFYXPDN-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cncnc2C1 ZINC000332677238 354718937 /nfs/dbraw/zinc/71/89/37/354718937.db2.gz GUOBWYAHAGXZFR-UHFFFAOYSA-N 1 2 273.340 0.597 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cncnc2C1 ZINC000332677238 354718940 /nfs/dbraw/zinc/71/89/40/354718940.db2.gz GUOBWYAHAGXZFR-UHFFFAOYSA-N 1 2 273.340 0.597 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338180113 355310117 /nfs/dbraw/zinc/31/01/17/355310117.db2.gz UICKPLXACULJJF-GFCCVEGCSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCCC)C1=O ZINC000337202434 355283682 /nfs/dbraw/zinc/28/36/82/355283682.db2.gz FBJJZEJDBXSVCU-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCCC)C1=O ZINC000337202434 355283683 /nfs/dbraw/zinc/28/36/83/355283683.db2.gz FBJJZEJDBXSVCU-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338622836 355381548 /nfs/dbraw/zinc/38/15/48/355381548.db2.gz FPGHUIGIXSHTEX-HNNXBMFYSA-N 1 2 291.326 0.581 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338622836 355381550 /nfs/dbraw/zinc/38/15/50/355381550.db2.gz FPGHUIGIXSHTEX-HNNXBMFYSA-N 1 2 291.326 0.581 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338628210 355384547 /nfs/dbraw/zinc/38/45/47/355384547.db2.gz YLORWEFGVDYTQM-JQWIXIFHSA-N 1 2 257.309 0.153 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628210 355384549 /nfs/dbraw/zinc/38/45/49/355384549.db2.gz YLORWEFGVDYTQM-JQWIXIFHSA-N 1 2 257.309 0.153 20 30 CCEDLO C[N@H+](CCOCCC#N)Cc1ncnn1CC(F)F ZINC000339135174 355492600 /nfs/dbraw/zinc/49/26/00/355492600.db2.gz IIJVJHJHEULRHS-UHFFFAOYSA-N 1 2 273.287 0.905 20 30 CCEDLO C[N@@H+](CCOCCC#N)Cc1ncnn1CC(F)F ZINC000339135174 355492603 /nfs/dbraw/zinc/49/26/03/355492603.db2.gz IIJVJHJHEULRHS-UHFFFAOYSA-N 1 2 273.287 0.905 20 30 CCEDLO CN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000352670780 356048409 /nfs/dbraw/zinc/04/84/09/356048409.db2.gz GINBGNYLPMNWEW-CYBMUJFWSA-N 1 2 286.335 0.659 20 30 CCEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000352670780 356048412 /nfs/dbraw/zinc/04/84/12/356048412.db2.gz GINBGNYLPMNWEW-CYBMUJFWSA-N 1 2 286.335 0.659 20 30 CCEDLO CNC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000354111024 356347710 /nfs/dbraw/zinc/34/77/10/356347710.db2.gz REQVUBDVLJSSKO-UHFFFAOYSA-N 1 2 298.350 0.663 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000355095274 356575927 /nfs/dbraw/zinc/57/59/27/356575927.db2.gz NHMMSRHNTLYUNL-UHFFFAOYSA-N 1 2 290.348 0.911 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609539331 363503744 /nfs/dbraw/zinc/50/37/44/363503744.db2.gz XPAHYCVHVRNJOE-LBPRGKRZSA-N 1 2 252.362 0.240 20 30 CCEDLO C=C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)C(=O)OC ZINC000619703240 366327692 /nfs/dbraw/zinc/32/76/92/366327692.db2.gz YGDKMAHJRWGZCG-VXGBXAGGSA-N 1 2 257.330 0.747 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000619718008 366338548 /nfs/dbraw/zinc/33/85/48/366338548.db2.gz LOGJEIPXVDFGMA-WDEREUQCSA-N 1 2 267.325 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000619720091 366341170 /nfs/dbraw/zinc/34/11/70/366341170.db2.gz ZUEWIXCIKDMTFT-VXGBXAGGSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000619720091 366341174 /nfs/dbraw/zinc/34/11/74/366341174.db2.gz ZUEWIXCIKDMTFT-VXGBXAGGSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000619715792 366333001 /nfs/dbraw/zinc/33/30/01/366333001.db2.gz QLZVNAQKOCSIQM-CYBMUJFWSA-N 1 2 279.340 0.828 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)NC(C)(C)C ZINC000362044898 357052106 /nfs/dbraw/zinc/05/21/06/357052106.db2.gz BDMRGBGYTVOECP-UHFFFAOYSA-N 1 2 285.388 0.152 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)NC(C)(C)C ZINC000362044898 357052110 /nfs/dbraw/zinc/05/21/10/357052110.db2.gz BDMRGBGYTVOECP-UHFFFAOYSA-N 1 2 285.388 0.152 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000285664115 291129642 /nfs/dbraw/zinc/12/96/42/291129642.db2.gz MIVOOYHMSOLKEQ-AAEUAGOBSA-N 1 2 288.351 0.822 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000294611157 199106759 /nfs/dbraw/zinc/10/67/59/199106759.db2.gz ODIFPJRDAWTAAT-WCQYABFASA-N 1 2 268.357 0.693 20 30 CCEDLO C#CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491639297 358295894 /nfs/dbraw/zinc/29/58/94/358295894.db2.gz YLMFHWYIOMXSJV-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO CCc1cc(N)nc(SCC(=O)NCC#N)[nH+]1 ZINC000573314771 358955075 /nfs/dbraw/zinc/95/50/75/358955075.db2.gz AZSOJNJAXLXELE-UHFFFAOYSA-N 1 2 251.315 0.183 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccnc1 ZINC000573328592 358957454 /nfs/dbraw/zinc/95/74/54/358957454.db2.gz RZWCADIMPWNNME-CQSZACIVSA-N 1 2 260.341 0.974 20 30 CCEDLO CN1CC[NH+](C[C@H](O)COc2cccc(F)c2C#N)CC1 ZINC000576163773 359045519 /nfs/dbraw/zinc/04/55/19/359045519.db2.gz AJPQRAVPCARIPY-LBPRGKRZSA-N 1 2 293.342 0.684 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCCCC#N ZINC000580844021 359101608 /nfs/dbraw/zinc/10/16/08/359101608.db2.gz KAMFHDBKVAALOF-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCCC#N ZINC000580844021 359101614 /nfs/dbraw/zinc/10/16/14/359101614.db2.gz KAMFHDBKVAALOF-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO COCC#CC[NH2+]C(C)(C)c1cc(C(=O)OC)on1 ZINC000589279170 359376433 /nfs/dbraw/zinc/37/64/33/359376433.db2.gz JFYKQAUSVCWFLS-UHFFFAOYSA-N 1 2 266.297 0.936 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)CC3(C#N)CC3)CC2)cn1 ZINC000590224153 359430853 /nfs/dbraw/zinc/43/08/53/359430853.db2.gz ASLXIQRABSDKGY-UHFFFAOYSA-N 1 2 287.367 0.758 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000590378315 359447006 /nfs/dbraw/zinc/44/70/06/359447006.db2.gz IDYHZTVUOYWBDJ-UHFFFAOYSA-N 1 2 253.265 0.875 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590378315 359447010 /nfs/dbraw/zinc/44/70/10/359447010.db2.gz IDYHZTVUOYWBDJ-UHFFFAOYSA-N 1 2 253.265 0.875 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000590747577 359514293 /nfs/dbraw/zinc/51/42/93/359514293.db2.gz QCFUOEGIHBZJJP-XQQFMLRXSA-N 1 2 288.347 0.995 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000590747577 359514295 /nfs/dbraw/zinc/51/42/95/359514295.db2.gz QCFUOEGIHBZJJP-XQQFMLRXSA-N 1 2 288.347 0.995 20 30 CCEDLO C[C@@H]1[C@H](O)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000590762304 359519968 /nfs/dbraw/zinc/51/99/68/359519968.db2.gz PYBQHIKVMBPSFF-BXUZGUMPSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1[C@H](O)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000590762304 359519970 /nfs/dbraw/zinc/51/99/70/359519970.db2.gz PYBQHIKVMBPSFF-BXUZGUMPSA-N 1 2 294.376 0.787 20 30 CCEDLO C#CCOc1ccccc1C[NH+]1CC(O)(COC)C1 ZINC000297343583 200156042 /nfs/dbraw/zinc/15/60/42/200156042.db2.gz FTSJAAVGRLBTBC-UHFFFAOYSA-N 1 2 261.321 0.892 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592083905 359751124 /nfs/dbraw/zinc/75/11/24/359751124.db2.gz SAMLSNLHFIHLID-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592083905 359751127 /nfs/dbraw/zinc/75/11/27/359751127.db2.gz SAMLSNLHFIHLID-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000592150068 359769458 /nfs/dbraw/zinc/76/94/58/359769458.db2.gz APZSGLQVHBVSLA-CYBMUJFWSA-N 1 2 261.329 0.539 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000592150068 359769461 /nfs/dbraw/zinc/76/94/61/359769461.db2.gz APZSGLQVHBVSLA-CYBMUJFWSA-N 1 2 261.329 0.539 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000611191000 363677772 /nfs/dbraw/zinc/67/77/72/363677772.db2.gz DAFQZYJYVSIMED-STQMWFEESA-N 1 2 266.389 0.629 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(CC)ncn2)CC1 ZINC000592454905 359843972 /nfs/dbraw/zinc/84/39/72/359843972.db2.gz ZZSLGJWHOIECMU-UHFFFAOYSA-N 1 2 289.383 0.463 20 30 CCEDLO Cc1csc(=O)n1CC[NH+]1CCN(CCC#N)CC1 ZINC000611174520 363670537 /nfs/dbraw/zinc/67/05/37/363670537.db2.gz KVESNQHQUYXYGH-UHFFFAOYSA-N 1 2 280.397 0.750 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174027 363671020 /nfs/dbraw/zinc/67/10/20/363671020.db2.gz CAPNIAFDKFNBDP-CQSZACIVSA-N 1 2 291.399 0.526 20 30 CCEDLO N#C[C@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCSC1 ZINC000592947118 359992520 /nfs/dbraw/zinc/99/25/20/359992520.db2.gz QWAKEOFUTOIMOL-ZWNOBZJWSA-N 1 2 276.365 0.961 20 30 CCEDLO Cn1cc(CSC[C@H](O)C[N@H+](C)CCC#N)cn1 ZINC000592999153 360011858 /nfs/dbraw/zinc/01/18/58/360011858.db2.gz MXUIYVPIOAPOJN-GFCCVEGCSA-N 1 2 268.386 0.860 20 30 CCEDLO Cn1cc(CSC[C@H](O)C[N@@H+](C)CCC#N)cn1 ZINC000592999153 360011862 /nfs/dbraw/zinc/01/18/62/360011862.db2.gz MXUIYVPIOAPOJN-GFCCVEGCSA-N 1 2 268.386 0.860 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)C1CC1 ZINC000593094962 360034630 /nfs/dbraw/zinc/03/46/30/360034630.db2.gz MIXZDVHXKHCVHQ-UJEDGZGLSA-N 1 2 281.381 0.000 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)C1CC1 ZINC000593094962 360034634 /nfs/dbraw/zinc/03/46/34/360034634.db2.gz MIXZDVHXKHCVHQ-UJEDGZGLSA-N 1 2 281.381 0.000 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593477948 360095193 /nfs/dbraw/zinc/09/51/93/360095193.db2.gz NQHLELLITJBAGL-UHFFFAOYSA-N 1 2 290.323 0.287 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000593887347 360194681 /nfs/dbraw/zinc/19/46/81/360194681.db2.gz QVESXLRPPUSZNC-UHFFFAOYSA-N 1 2 297.399 0.733 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000611388812 363712461 /nfs/dbraw/zinc/71/24/61/363712461.db2.gz HHMOULMSYMPUDM-UHFFFAOYSA-N 1 2 273.300 0.111 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000611399476 363713498 /nfs/dbraw/zinc/71/34/98/363713498.db2.gz TVTUMNPYKIWSJP-UHFFFAOYSA-N 1 2 273.340 0.130 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)CC1 ZINC000594294553 360269148 /nfs/dbraw/zinc/26/91/48/360269148.db2.gz JUFOWNHWPYCCAW-NSHDSACASA-N 1 2 261.329 0.256 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)CC1 ZINC000594294553 360269153 /nfs/dbraw/zinc/26/91/53/360269153.db2.gz JUFOWNHWPYCCAW-NSHDSACASA-N 1 2 261.329 0.256 20 30 CCEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000595132090 360441930 /nfs/dbraw/zinc/44/19/30/360441930.db2.gz RPYFXWKTSLAZPK-OAHLLOKOSA-N 1 2 290.367 0.055 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000594967337 360428014 /nfs/dbraw/zinc/42/80/14/360428014.db2.gz WOJAEMFUHCHSQV-QWHCGFSZSA-N 1 2 298.339 0.599 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000595302998 360488637 /nfs/dbraw/zinc/48/86/37/360488637.db2.gz ZIDZMVFEZUMUAU-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000595302998 360488638 /nfs/dbraw/zinc/48/86/38/360488638.db2.gz ZIDZMVFEZUMUAU-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CCc3c[nH]nn3)CC2)n1 ZINC000595434839 360531122 /nfs/dbraw/zinc/53/11/22/360531122.db2.gz GQGUWKISMBMGEQ-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO CC(C)(C)n1nnc(CC[NH+]2CCN(CCC#N)CC2)n1 ZINC000595391181 360516072 /nfs/dbraw/zinc/51/60/72/360516072.db2.gz FZPHBSHZWDDHDK-UHFFFAOYSA-N 1 2 291.403 0.502 20 30 CCEDLO N#CCCOCC[NH+]1CCN(c2ncns2)CC1 ZINC000595516295 360558023 /nfs/dbraw/zinc/55/80/23/360558023.db2.gz SCADUMSPULHSAX-UHFFFAOYSA-N 1 2 267.358 0.590 20 30 CCEDLO N#CCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595487052 360548153 /nfs/dbraw/zinc/54/81/53/360548153.db2.gz CRHIXZXPDXVQHN-ZDUSSCGKSA-N 1 2 280.372 0.796 20 30 CCEDLO C[C@@]1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000595593665 360590454 /nfs/dbraw/zinc/59/04/54/360590454.db2.gz QVXRXALZTZXRNI-AWEZNQCLSA-N 1 2 292.383 0.796 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850808 360678796 /nfs/dbraw/zinc/67/87/96/360678796.db2.gz PIZGXWYKRYQCJL-RYUDHWBXSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850808 360678807 /nfs/dbraw/zinc/67/88/07/360678807.db2.gz PIZGXWYKRYQCJL-RYUDHWBXSA-N 1 2 268.357 0.951 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000595788745 360656314 /nfs/dbraw/zinc/65/63/14/360656314.db2.gz XEPNLKOIIDYWRL-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595788745 360656317 /nfs/dbraw/zinc/65/63/17/360656317.db2.gz XEPNLKOIIDYWRL-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NCC#N ZINC000595814968 360665464 /nfs/dbraw/zinc/66/54/64/360665464.db2.gz KATMXXXXCUXWNF-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)NCC#N ZINC000595814968 360665469 /nfs/dbraw/zinc/66/54/69/360665469.db2.gz KATMXXXXCUXWNF-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595836239 360674748 /nfs/dbraw/zinc/67/47/48/360674748.db2.gz WBUWZOCMROIKSR-OAHLLOKOSA-N 1 2 293.367 0.634 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595836239 360674751 /nfs/dbraw/zinc/67/47/51/360674751.db2.gz WBUWZOCMROIKSR-OAHLLOKOSA-N 1 2 293.367 0.634 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)cnn3)CC2)on1 ZINC000596063587 360785410 /nfs/dbraw/zinc/78/54/10/360785410.db2.gz VMBDRFXTDKFBNJ-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)cnn1 ZINC000596231596 360846103 /nfs/dbraw/zinc/84/61/03/360846103.db2.gz LKGHICOHBJGPMC-WCQYABFASA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)cnn1 ZINC000596214796 360838094 /nfs/dbraw/zinc/83/80/94/360838094.db2.gz LSLWQDOZEPKNCM-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO COc1c(C#N)ccc(=O)n1CCc1c[nH+]cn1C ZINC000596283191 360868038 /nfs/dbraw/zinc/86/80/38/360868038.db2.gz UXKSBOTWRJWEMM-UHFFFAOYSA-N 1 2 258.281 0.705 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)[C@@H](C)CO1 ZINC000596452763 360899144 /nfs/dbraw/zinc/89/91/44/360899144.db2.gz GAHWRQXZFWBMDT-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)[C@@H](C)CO1 ZINC000596452763 360899147 /nfs/dbraw/zinc/89/91/47/360899147.db2.gz GAHWRQXZFWBMDT-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000596692765 360941967 /nfs/dbraw/zinc/94/19/67/360941967.db2.gz AGKUCBOOMUHVSF-RYUDHWBXSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCC#N)[C@@H](C)CO1 ZINC000596555743 360920916 /nfs/dbraw/zinc/92/09/16/360920916.db2.gz UCWHFMGODPRCBC-NWDGAFQWSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCC#N)[C@@H](C)CO1 ZINC000596555743 360920920 /nfs/dbraw/zinc/92/09/20/360920920.db2.gz UCWHFMGODPRCBC-NWDGAFQWSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709617 361205265 /nfs/dbraw/zinc/20/52/65/361205265.db2.gz JXDQTKHNLDQRFZ-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CSCC#N)[C@@H](C)CO1 ZINC000597996346 361303983 /nfs/dbraw/zinc/30/39/83/361303983.db2.gz ISCIDKHXSHKRJX-WDEREUQCSA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSCC#N)[C@@H](C)CO1 ZINC000597996346 361303985 /nfs/dbraw/zinc/30/39/85/361303985.db2.gz ISCIDKHXSHKRJX-WDEREUQCSA-N 1 2 271.386 0.469 20 30 CCEDLO CC(C)(C(=O)N1CC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000598417147 361408317 /nfs/dbraw/zinc/40/83/17/361408317.db2.gz HVWKHBWDEUGQKQ-AWEZNQCLSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598951166 361540209 /nfs/dbraw/zinc/54/02/09/361540209.db2.gz XWCIMHXNTGJCHO-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598939943 361534995 /nfs/dbraw/zinc/53/49/95/361534995.db2.gz OFNLMBDINUQOHB-SNVBAGLBSA-N 1 2 255.281 0.746 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599298488 361641306 /nfs/dbraw/zinc/64/13/06/361641306.db2.gz YGXLKNJBSVJMFL-QWHCGFSZSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599298488 361641307 /nfs/dbraw/zinc/64/13/07/361641307.db2.gz YGXLKNJBSVJMFL-QWHCGFSZSA-N 1 2 295.383 0.268 20 30 CCEDLO N#Cc1ccncc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000564486285 291282848 /nfs/dbraw/zinc/28/28/48/291282848.db2.gz OHQQVCYYANMPNV-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401597 361685976 /nfs/dbraw/zinc/68/59/76/361685976.db2.gz XPXANUXDJWVYBF-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401597 361685980 /nfs/dbraw/zinc/68/59/80/361685980.db2.gz XPXANUXDJWVYBF-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613863829 364416440 /nfs/dbraw/zinc/41/64/40/364416440.db2.gz RLVQAENQBNJELF-STQMWFEESA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613863829 364416451 /nfs/dbraw/zinc/41/64/51/364416451.db2.gz RLVQAENQBNJELF-STQMWFEESA-N 1 2 254.330 0.926 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000615521215 364992363 /nfs/dbraw/zinc/99/23/63/364992363.db2.gz PUROUYSGDMAUJS-LBPRGKRZSA-N 1 2 265.292 0.920 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615849596 365107647 /nfs/dbraw/zinc/10/76/47/365107647.db2.gz POYMZJTWADPFHG-UZWSLXQKSA-N 1 2 261.325 0.983 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000275885786 193155113 /nfs/dbraw/zinc/15/51/13/193155113.db2.gz REYQDENYBXJAQY-WOPDTQHZSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000275885786 193155114 /nfs/dbraw/zinc/15/51/14/193155114.db2.gz REYQDENYBXJAQY-WOPDTQHZSA-N 1 2 299.371 0.122 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2CO)cc1 ZINC000330855781 203317178 /nfs/dbraw/zinc/31/71/78/203317178.db2.gz SOTGPCAJWKIUNO-CYBMUJFWSA-N 1 2 291.376 0.906 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000330855781 203317182 /nfs/dbraw/zinc/31/71/82/203317182.db2.gz SOTGPCAJWKIUNO-CYBMUJFWSA-N 1 2 291.376 0.906 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000630983756 370348817 /nfs/dbraw/zinc/34/88/17/370348817.db2.gz CFURTJQMVGTHKR-NSHDSACASA-N 1 2 262.313 0.849 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636005615 373232075 /nfs/dbraw/zinc/23/20/75/373232075.db2.gz LCNNWBWCOVHLRZ-NSHDSACASA-N 1 2 251.330 0.958 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621652 375865519 /nfs/dbraw/zinc/86/55/19/375865519.db2.gz CBXMPEGTMFUEFS-KBPBESRZSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621652 375865528 /nfs/dbraw/zinc/86/55/28/375865528.db2.gz CBXMPEGTMFUEFS-KBPBESRZSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639794441 376012140 /nfs/dbraw/zinc/01/21/40/376012140.db2.gz QBTMULZRVLTDNE-UHFFFAOYSA-N 1 2 260.341 0.811 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639794441 376012146 /nfs/dbraw/zinc/01/21/46/376012146.db2.gz QBTMULZRVLTDNE-UHFFFAOYSA-N 1 2 260.341 0.811 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](OC)C[C@@]2(C)CO)nn1 ZINC000640006970 376185334 /nfs/dbraw/zinc/18/53/34/376185334.db2.gz WROASMUDPZIFKJ-KGLIPLIRSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)nn1 ZINC000640006970 376185341 /nfs/dbraw/zinc/18/53/41/376185341.db2.gz WROASMUDPZIFKJ-KGLIPLIRSA-N 1 2 280.372 0.826 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2c(C)csc2=O)nn1 ZINC000640861538 376575073 /nfs/dbraw/zinc/57/50/73/376575073.db2.gz FZUAKENMBCDPJA-UHFFFAOYSA-N 1 2 291.380 0.623 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccnc(OC)n2)nn1 ZINC000641053008 376720375 /nfs/dbraw/zinc/72/03/75/376720375.db2.gz VRIXIJFASBLKCN-UHFFFAOYSA-N 1 2 272.312 0.238 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccnc(OC)c2)nn1 ZINC000641057671 376728592 /nfs/dbraw/zinc/72/85/92/376728592.db2.gz VDKLIIPHMDKZRZ-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(C)cn2)nn1 ZINC000641145871 376809486 /nfs/dbraw/zinc/80/94/86/376809486.db2.gz RNWHULNTRCMVQY-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COCC(C)C)nn1 ZINC000641201803 376876304 /nfs/dbraw/zinc/87/63/04/376876304.db2.gz KOEGFDNJOKCUDK-AWEZNQCLSA-N 1 2 280.372 0.425 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)Cc2ccccc2)nn1 ZINC000641211610 376887819 /nfs/dbraw/zinc/88/78/19/376887819.db2.gz YYOCBMVWMXMTOU-INIZCTEOSA-N 1 2 284.363 0.995 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641213185 376891709 /nfs/dbraw/zinc/89/17/09/376891709.db2.gz YJCYDEGUEVOUGZ-ZYHUDNBSSA-N 1 2 252.318 0.266 20 30 CCEDLO C=CCC[C@H](O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641213183 376891842 /nfs/dbraw/zinc/89/18/42/376891842.db2.gz YJCYDEGUEVOUGZ-JQWIXIFHSA-N 1 2 252.318 0.266 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CCOC(C)C)nn1 ZINC000641228744 376924827 /nfs/dbraw/zinc/92/48/27/376924827.db2.gz NOZPQEQSUNLRBX-AWEZNQCLSA-N 1 2 280.372 0.567 20 30 CCEDLO C=CCN(CCOC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641456247 377141078 /nfs/dbraw/zinc/14/10/78/377141078.db2.gz SSCGTAVGROELGW-UHFFFAOYSA-N 1 2 273.358 0.347 20 30 CCEDLO C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641474718 377156223 /nfs/dbraw/zinc/15/62/23/377156223.db2.gz VALQDHDMIVCSMX-CHWSQXEVSA-N 1 2 299.396 0.784 20 30 CCEDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000515479563 249135868 /nfs/dbraw/zinc/13/58/68/249135868.db2.gz VLWYMSXJUUCUAG-XVKPBYJWSA-N 1 2 250.327 0.629 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000278733283 194127672 /nfs/dbraw/zinc/12/76/72/194127672.db2.gz LGIPVLVVUROXGT-GASCZTMLSA-N 1 2 278.352 0.511 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000278733283 194127673 /nfs/dbraw/zinc/12/76/73/194127673.db2.gz LGIPVLVVUROXGT-GASCZTMLSA-N 1 2 278.352 0.511 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C)CC1 ZINC000282402769 388753494 /nfs/dbraw/zinc/75/34/94/388753494.db2.gz HTBLTZZXSJNDKO-UHFFFAOYSA-N 1 2 296.378 0.941 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284136242 388773242 /nfs/dbraw/zinc/77/32/42/388773242.db2.gz YENPPWQMJFQYKI-SNVBAGLBSA-N 1 2 250.302 0.032 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289328641 388869122 /nfs/dbraw/zinc/86/91/22/388869122.db2.gz XZHDYSWHIKUNEB-UHFFFAOYSA-N 1 2 286.335 0.985 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000287203094 388849685 /nfs/dbraw/zinc/84/96/85/388849685.db2.gz IDKHLOTUTMGSFP-AAEUAGOBSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000289726353 388885693 /nfs/dbraw/zinc/88/56/93/388885693.db2.gz KDKHTPTXQOUBFZ-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO N#Cc1c(F)cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000187331608 388877904 /nfs/dbraw/zinc/87/79/04/388877904.db2.gz UCFFXMIISQKSMB-UHFFFAOYSA-N 1 2 277.299 0.759 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000290609407 388908415 /nfs/dbraw/zinc/90/84/15/388908415.db2.gz XAIYGWXNMIMDTG-OAHLLOKOSA-N 1 2 299.418 0.963 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000048919525 388910673 /nfs/dbraw/zinc/91/06/73/388910673.db2.gz DKCGOMMVOQCWQT-AWEZNQCLSA-N 1 2 297.424 0.860 20 30 CCEDLO C=CC[NH+](CC=C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000051767086 388927755 /nfs/dbraw/zinc/92/77/55/388927755.db2.gz UAAMKERXIIFCQD-LLVKDONJSA-N 1 2 253.346 0.253 20 30 CCEDLO COCC[N@H+](CC(=O)NC(N)=O)Cc1ccc(C#N)cc1 ZINC000063754485 388941618 /nfs/dbraw/zinc/94/16/18/388941618.db2.gz BSVKRKAKKFXCSV-UHFFFAOYSA-N 1 2 290.323 0.202 20 30 CCEDLO COCC[N@@H+](CC(=O)NC(N)=O)Cc1ccc(C#N)cc1 ZINC000063754485 388941621 /nfs/dbraw/zinc/94/16/21/388941621.db2.gz BSVKRKAKKFXCSV-UHFFFAOYSA-N 1 2 290.323 0.202 20 30 CCEDLO CC[N@H+](CCn1nc2ccccn2c1=O)C[C@H](C)C#N ZINC000066424076 388944781 /nfs/dbraw/zinc/94/47/81/388944781.db2.gz BDTPNAALEVDKHH-GFCCVEGCSA-N 1 2 273.340 0.978 20 30 CCEDLO CC[N@@H+](CCn1nc2ccccn2c1=O)C[C@H](C)C#N ZINC000066424076 388944785 /nfs/dbraw/zinc/94/47/85/388944785.db2.gz BDTPNAALEVDKHH-GFCCVEGCSA-N 1 2 273.340 0.978 20 30 CCEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000066495582 388945536 /nfs/dbraw/zinc/94/55/36/388945536.db2.gz DYKZKPDRVWRYGW-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC000066495582 388945537 /nfs/dbraw/zinc/94/55/37/388945537.db2.gz DYKZKPDRVWRYGW-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000076185917 388986194 /nfs/dbraw/zinc/98/61/94/388986194.db2.gz LECGUCSJJHHCLU-KBPBESRZSA-N 1 2 289.379 0.959 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000192233844 389029882 /nfs/dbraw/zinc/02/98/82/389029882.db2.gz ATWIKCCECKPOSF-JTQLQIEISA-N 1 2 259.309 0.678 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000192233844 389029887 /nfs/dbraw/zinc/02/98/87/389029887.db2.gz ATWIKCCECKPOSF-JTQLQIEISA-N 1 2 259.309 0.678 20 30 CCEDLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)N(C)CCC#N ZINC000092795918 389032230 /nfs/dbraw/zinc/03/22/30/389032230.db2.gz NTQDBSFGXZWEMM-UHFFFAOYSA-N 1 2 269.345 0.680 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(=O)OC)C2CC2)C1=O ZINC000337236807 389058370 /nfs/dbraw/zinc/05/83/70/389058370.db2.gz YHZNRWCWMVSURI-VXGBXAGGSA-N 1 2 266.341 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(=O)OC)C2CC2)C1=O ZINC000337236807 389058372 /nfs/dbraw/zinc/05/83/72/389058372.db2.gz YHZNRWCWMVSURI-VXGBXAGGSA-N 1 2 266.341 0.657 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000298811008 389040167 /nfs/dbraw/zinc/04/01/67/389040167.db2.gz AGNSDRATCYZQOS-NSHDSACASA-N 1 2 263.341 0.568 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355130099 389043980 /nfs/dbraw/zinc/04/39/80/389043980.db2.gz SINNGYQZFJACSB-ZDUSSCGKSA-N 1 2 299.378 0.766 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000111357236 389106215 /nfs/dbraw/zinc/10/62/15/389106215.db2.gz KCHJPXABFAHWID-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000111357236 389106216 /nfs/dbraw/zinc/10/62/16/389106216.db2.gz KCHJPXABFAHWID-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(F)c(F)c1 ZINC000121405769 389147951 /nfs/dbraw/zinc/14/79/51/389147951.db2.gz SUENVJVBFLYDJJ-SSDOTTSWSA-N 1 2 287.266 0.963 20 30 CCEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339713975 389137639 /nfs/dbraw/zinc/13/76/39/389137639.db2.gz CSNJTFNIKYDHFJ-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO Cc1noc(C2(C)CC[NH+](CC(=O)NCC#N)CC2)n1 ZINC000357791180 389138366 /nfs/dbraw/zinc/13/83/66/389138366.db2.gz LAONJRMNCXTVKG-UHFFFAOYSA-N 1 2 277.328 0.371 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000328803798 389138972 /nfs/dbraw/zinc/13/89/72/389138972.db2.gz HEIJICGPNKQJSA-MNOVXSKESA-N 1 2 291.355 0.354 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCCOCC1 ZINC000329638308 389180510 /nfs/dbraw/zinc/18/05/10/389180510.db2.gz YYKKFFIYJPSDOT-JTQLQIEISA-N 1 2 252.318 0.993 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329665913 389185047 /nfs/dbraw/zinc/18/50/47/389185047.db2.gz KRYGHIHMUWUKJM-RDBSUJKOSA-N 1 2 297.399 0.527 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329665913 389185051 /nfs/dbraw/zinc/18/50/51/389185051.db2.gz KRYGHIHMUWUKJM-RDBSUJKOSA-N 1 2 297.399 0.527 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000341370823 389187827 /nfs/dbraw/zinc/18/78/27/389187827.db2.gz PHHIBYZQAZLKSY-ZIAGYGMSSA-N 1 2 299.415 0.676 20 30 CCEDLO O=C(NCC[NH+]1CCC1)NC[C@@H]1CCCCS1(=O)=O ZINC000329731501 389193350 /nfs/dbraw/zinc/19/33/50/389193350.db2.gz GSHQGRAYFKAYJQ-NSHDSACASA-N 1 2 289.401 0.163 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000358485895 389152707 /nfs/dbraw/zinc/15/27/07/389152707.db2.gz SLOOFHTVJUEDTO-JTQLQIEISA-N 1 2 260.297 0.680 20 30 CCEDLO COc1ccc(CC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)nc1 ZINC000329294940 389155231 /nfs/dbraw/zinc/15/52/31/389155231.db2.gz SCGQNYPFQPDXFV-CYBMUJFWSA-N 1 2 292.383 0.835 20 30 CCEDLO COc1ccc(CC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)nc1 ZINC000329294940 389155234 /nfs/dbraw/zinc/15/52/34/389155234.db2.gz SCGQNYPFQPDXFV-CYBMUJFWSA-N 1 2 292.383 0.835 20 30 CCEDLO C=CCCOCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000124543011 389161716 /nfs/dbraw/zinc/16/17/16/389161716.db2.gz IXBXRIONTMIMGJ-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2nccs2)C1 ZINC000329396639 389162106 /nfs/dbraw/zinc/16/21/06/389162106.db2.gz XOXDRIGRUSTZFN-JTQLQIEISA-N 1 2 283.401 0.393 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2nccs2)C1 ZINC000329396639 389162109 /nfs/dbraw/zinc/16/21/09/389162109.db2.gz XOXDRIGRUSTZFN-JTQLQIEISA-N 1 2 283.401 0.393 20 30 CCEDLO COCC1(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCC1 ZINC000329420320 389163703 /nfs/dbraw/zinc/16/37/03/389163703.db2.gz GVLQFSMNLDLZSM-LBPRGKRZSA-N 1 2 284.404 0.305 20 30 CCEDLO COCC1(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCC1 ZINC000329420320 389163705 /nfs/dbraw/zinc/16/37/05/389163705.db2.gz GVLQFSMNLDLZSM-LBPRGKRZSA-N 1 2 284.404 0.305 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)CN1CC(=O)NC1=O)[NH+]1CCOCC1 ZINC000329478867 389166367 /nfs/dbraw/zinc/16/63/67/389166367.db2.gz QGZXYWQCCGPJHO-VHSXEESVSA-N 1 2 298.343 0.444 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@H]3CCCCO3)C[C@@H]21 ZINC000329536220 389169703 /nfs/dbraw/zinc/16/97/03/389169703.db2.gz AZNFBFJAOKMEPP-HZSPNIEDSA-N 1 2 297.399 0.874 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@H]3CCCCO3)C[C@@H]21 ZINC000329536220 389169705 /nfs/dbraw/zinc/16/97/05/389169705.db2.gz AZNFBFJAOKMEPP-HZSPNIEDSA-N 1 2 297.399 0.874 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000329569257 389171530 /nfs/dbraw/zinc/17/15/30/389171530.db2.gz PSLNABALIIURPN-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc1 ZINC000329569257 389171534 /nfs/dbraw/zinc/17/15/34/389171534.db2.gz PSLNABALIIURPN-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO N#CCCCC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000330583631 389243224 /nfs/dbraw/zinc/24/32/24/389243224.db2.gz RLCUPOYVTHRMLE-OLZOCXBDSA-N 1 2 283.347 0.951 20 30 CCEDLO N#CCCCC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000330583631 389243229 /nfs/dbraw/zinc/24/32/29/389243229.db2.gz RLCUPOYVTHRMLE-OLZOCXBDSA-N 1 2 283.347 0.951 20 30 CCEDLO CC#CCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248387029 389245233 /nfs/dbraw/zinc/24/52/33/389245233.db2.gz AAVCMTWWEBHQBJ-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248387029 389245237 /nfs/dbraw/zinc/24/52/37/389245237.db2.gz AAVCMTWWEBHQBJ-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000135884065 389262203 /nfs/dbraw/zinc/26/22/03/389262203.db2.gz CVVRELBVDNKFHY-GFCCVEGCSA-N 1 2 258.325 0.983 20 30 CCEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000136069709 389264237 /nfs/dbraw/zinc/26/42/37/389264237.db2.gz VZRIIYNYAHCEEL-JTQLQIEISA-N 1 2 265.313 0.535 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329855774 389207201 /nfs/dbraw/zinc/20/72/01/389207201.db2.gz XQBUBXHXQARWDH-JTQLQIEISA-N 1 2 274.328 0.704 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329921445 389211245 /nfs/dbraw/zinc/21/12/45/389211245.db2.gz FROBYIMONALTQR-ZETCQYMHSA-N 1 2 257.315 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329921445 389211248 /nfs/dbraw/zinc/21/12/48/389211248.db2.gz FROBYIMONALTQR-ZETCQYMHSA-N 1 2 257.315 0.484 20 30 CCEDLO O=C(CN1CCCC1=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329919548 389211327 /nfs/dbraw/zinc/21/13/27/389211327.db2.gz RRKVWAJZHYZSQV-UHFFFAOYSA-N 1 2 281.356 0.430 20 30 CCEDLO C[C@H](CO)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000330402930 389225359 /nfs/dbraw/zinc/22/53/59/389225359.db2.gz BSVAEHFGHHDTLD-NWDGAFQWSA-N 1 2 278.356 0.792 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)NC[C@](C)(O)CO)cc2n1C ZINC000330422239 389227696 /nfs/dbraw/zinc/22/76/96/389227696.db2.gz DNRYLCHNCGPOGP-AWEZNQCLSA-N 1 2 277.324 0.930 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000330486445 389234499 /nfs/dbraw/zinc/23/44/99/389234499.db2.gz FBIIOYKHABYGHX-VIFPVBQESA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000330486445 389234501 /nfs/dbraw/zinc/23/45/01/389234501.db2.gz FBIIOYKHABYGHX-VIFPVBQESA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330486445 389234504 /nfs/dbraw/zinc/23/45/04/389234504.db2.gz FBIIOYKHABYGHX-VIFPVBQESA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330486445 389234506 /nfs/dbraw/zinc/23/45/06/389234506.db2.gz FBIIOYKHABYGHX-VIFPVBQESA-N 1 2 266.301 0.257 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000362371098 389234880 /nfs/dbraw/zinc/23/48/80/389234880.db2.gz PIYASRCQDSFNII-TUAOUCFPSA-N 1 2 255.362 0.969 20 30 CCEDLO CNC(=O)NCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330515798 389237168 /nfs/dbraw/zinc/23/71/68/389237168.db2.gz LSALCRXUWDWICO-UHFFFAOYSA-N 1 2 279.344 0.012 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330511467 389237217 /nfs/dbraw/zinc/23/72/17/389237217.db2.gz FBQUGLYWCNUWTI-JTNHKYCSSA-N 1 2 295.387 0.586 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330511467 389237222 /nfs/dbraw/zinc/23/72/22/389237222.db2.gz FBQUGLYWCNUWTI-JTNHKYCSSA-N 1 2 295.387 0.586 20 30 CCEDLO Cc1[nH]ccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330519937 389237848 /nfs/dbraw/zinc/23/78/48/389237848.db2.gz PVUWVFUXHPOEQU-LLVKDONJSA-N 1 2 267.329 0.321 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(CO)o1 ZINC000154785207 389314827 /nfs/dbraw/zinc/31/48/27/389314827.db2.gz UTECRKFTLGJIKM-UHFFFAOYSA-N 1 2 293.367 0.820 20 30 CCEDLO CCCN(CC#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000346505985 389330690 /nfs/dbraw/zinc/33/06/90/389330690.db2.gz IUVBLVXCJDHKNP-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO CCCN(CC#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000346505985 389330693 /nfs/dbraw/zinc/33/06/93/389330693.db2.gz IUVBLVXCJDHKNP-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO C=C1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000264505658 389332796 /nfs/dbraw/zinc/33/27/96/389332796.db2.gz WJSCURZZWFXQAV-UHFFFAOYSA-N 1 2 265.357 0.377 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000346892037 389340030 /nfs/dbraw/zinc/34/00/30/389340030.db2.gz UCFMOBWQHOSLMG-UHFFFAOYSA-N 1 2 292.358 0.641 20 30 CCEDLO C[C@H]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000151228050 389276013 /nfs/dbraw/zinc/27/60/13/389276013.db2.gz JGICUJFMCQLXEV-UONOGXRCSA-N 1 2 295.383 0.628 20 30 CCEDLO C=CCOCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345417846 389305269 /nfs/dbraw/zinc/30/52/69/389305269.db2.gz ZREOMMABIXUYNL-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000267749128 389373542 /nfs/dbraw/zinc/37/35/42/389373542.db2.gz MVDMBJGQHDDKNB-UHFFFAOYSA-N 1 2 295.339 0.485 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159329168 389364164 /nfs/dbraw/zinc/36/41/64/389364164.db2.gz CZXORDODPMXXMK-UHFFFAOYSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159329168 389364167 /nfs/dbraw/zinc/36/41/67/389364167.db2.gz CZXORDODPMXXMK-UHFFFAOYSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412071925 389474851 /nfs/dbraw/zinc/47/48/51/389474851.db2.gz KUBNEMPNPOUVFT-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412071925 389474855 /nfs/dbraw/zinc/47/48/55/389474855.db2.gz KUBNEMPNPOUVFT-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCO[C@@H](C#N)C2)CCO1 ZINC000171603988 389476849 /nfs/dbraw/zinc/47/68/49/389476849.db2.gz MGUOKXOMRPWILX-LBPRGKRZSA-N 1 2 296.371 0.031 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCO[C@@H](C#N)C2)CCO1 ZINC000171603988 389476852 /nfs/dbraw/zinc/47/68/52/389476852.db2.gz MGUOKXOMRPWILX-LBPRGKRZSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000350045568 389480149 /nfs/dbraw/zinc/48/01/49/389480149.db2.gz AWBQVJBAAKDOIX-SNVBAGLBSA-N 1 2 299.338 0.835 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1CC1 ZINC000274039358 389480313 /nfs/dbraw/zinc/48/03/13/389480313.db2.gz FCQJIRKMMGHPTI-ZDUSSCGKSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1CC1 ZINC000274039358 389480316 /nfs/dbraw/zinc/48/03/16/389480316.db2.gz FCQJIRKMMGHPTI-ZDUSSCGKSA-N 1 2 280.368 0.788 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413237706 389483417 /nfs/dbraw/zinc/48/34/17/389483417.db2.gz XUPVGVKAFQINHR-GHMZBOCLSA-N 1 2 266.345 0.288 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413237706 389483420 /nfs/dbraw/zinc/48/34/20/389483420.db2.gz XUPVGVKAFQINHR-GHMZBOCLSA-N 1 2 266.345 0.288 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803825 389544786 /nfs/dbraw/zinc/54/47/86/389544786.db2.gz VPSIRHVGGNUISC-QWRGUYRKSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803825 389544790 /nfs/dbraw/zinc/54/47/90/389544790.db2.gz VPSIRHVGGNUISC-QWRGUYRKSA-N 1 2 274.390 0.101 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(C)=O)C[C@@H]2C)C1=O ZINC000281959888 389640108 /nfs/dbraw/zinc/64/01/08/389640108.db2.gz KIBZRWJMKSGVNN-AAEUAGOBSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(C)=O)C[C@@H]2C)C1=O ZINC000281959888 389640113 /nfs/dbraw/zinc/64/01/13/389640113.db2.gz KIBZRWJMKSGVNN-AAEUAGOBSA-N 1 2 265.357 0.326 20 30 CCEDLO CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414158940 389603425 /nfs/dbraw/zinc/60/34/25/389603425.db2.gz XYMVUHZVHNDRPV-WFASDCNBSA-N 1 2 295.383 0.614 20 30 CCEDLO CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414158940 389603427 /nfs/dbraw/zinc/60/34/27/389603427.db2.gz XYMVUHZVHNDRPV-WFASDCNBSA-N 1 2 295.383 0.614 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000375922439 389725697 /nfs/dbraw/zinc/72/56/97/389725697.db2.gz VQLLLQRYVHWIJO-IPYPFGDCSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000375922439 389725698 /nfs/dbraw/zinc/72/56/98/389725698.db2.gz VQLLLQRYVHWIJO-IPYPFGDCSA-N 1 2 295.383 0.627 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)OC)C1=O ZINC000282094872 389657017 /nfs/dbraw/zinc/65/70/17/389657017.db2.gz VNDVWTNQMPGLGC-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)OC)C1=O ZINC000282094872 389657022 /nfs/dbraw/zinc/65/70/22/389657022.db2.gz VNDVWTNQMPGLGC-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C#N)C(C)(C)C ZINC000427487390 389681033 /nfs/dbraw/zinc/68/10/33/389681033.db2.gz LRAIJCXUZDETBT-LLVKDONJSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C#N)C(C)(C)C ZINC000427487390 389681035 /nfs/dbraw/zinc/68/10/35/389681035.db2.gz LRAIJCXUZDETBT-LLVKDONJSA-N 1 2 282.388 0.497 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181246138 389683335 /nfs/dbraw/zinc/68/33/35/389683335.db2.gz NJZYDHMOJDJDHI-VIFPVBQESA-N 1 2 281.278 0.604 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181246138 389683338 /nfs/dbraw/zinc/68/33/38/389683338.db2.gz NJZYDHMOJDJDHI-VIFPVBQESA-N 1 2 281.278 0.604 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181265723 389683590 /nfs/dbraw/zinc/68/35/90/389683590.db2.gz KWNIUQMYSQCXNL-ONGXEEELSA-N 1 2 295.305 0.896 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181265723 389683592 /nfs/dbraw/zinc/68/35/92/389683592.db2.gz KWNIUQMYSQCXNL-ONGXEEELSA-N 1 2 295.305 0.896 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429577680 389761091 /nfs/dbraw/zinc/76/10/91/389761091.db2.gz QHFCNDOKZLSNEZ-RLFDGXBXSA-N 1 2 258.387 0.520 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429577680 389761094 /nfs/dbraw/zinc/76/10/94/389761094.db2.gz QHFCNDOKZLSNEZ-RLFDGXBXSA-N 1 2 258.387 0.520 20 30 CCEDLO Cc1cc(NC2CCN(S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000400112945 389796038 /nfs/dbraw/zinc/79/60/38/389796038.db2.gz GTPNCWXWDSWLEM-UHFFFAOYSA-N 1 2 294.380 0.520 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSCC#N ZINC000376188918 389730791 /nfs/dbraw/zinc/73/07/91/389730791.db2.gz ROMWGSCSCCYJMY-VXGBXAGGSA-N 1 2 283.397 0.565 20 30 CCEDLO N#Cc1cccc2c1CN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC000405060265 389812563 /nfs/dbraw/zinc/81/25/63/389812563.db2.gz QLGAOGOLZFFWBD-HNNXBMFYSA-N 1 2 287.363 0.567 20 30 CCEDLO C=CCNC(=O)CNc1[nH+]c2ccc(F)cc2n1C ZINC000431434282 389859346 /nfs/dbraw/zinc/85/93/46/389859346.db2.gz WSVZSEZNNUBKJD-UHFFFAOYSA-N 1 2 262.288 0.848 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC(C)(C)C#N ZINC000433296482 389907660 /nfs/dbraw/zinc/90/76/60/389907660.db2.gz SNRMAADWINBXKV-NWDGAFQWSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433296482 389907661 /nfs/dbraw/zinc/90/76/61/389907661.db2.gz SNRMAADWINBXKV-NWDGAFQWSA-N 1 2 294.399 0.580 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433315759 389908022 /nfs/dbraw/zinc/90/80/22/389908022.db2.gz FRPLZZQNLPVLKP-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433315759 389908025 /nfs/dbraw/zinc/90/80/25/389908025.db2.gz FRPLZZQNLPVLKP-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000446598576 389937337 /nfs/dbraw/zinc/93/73/37/389937337.db2.gz ANLCZMYUNOBDIS-UHFFFAOYSA-N 1 2 297.318 0.889 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000420943566 390039504 /nfs/dbraw/zinc/03/95/04/390039504.db2.gz RIOPVSIKSLKVQB-NWDGAFQWSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000420943566 390039506 /nfs/dbraw/zinc/03/95/06/390039506.db2.gz RIOPVSIKSLKVQB-NWDGAFQWSA-N 1 2 268.357 0.245 20 30 CCEDLO C=C[C@@H](C)Nc1nc(N[C@@H](C)C=C)nc(NCCOC)[nH+]1 ZINC000448133538 389978869 /nfs/dbraw/zinc/97/88/69/389978869.db2.gz XOYVIXVBDYRXSB-PHIMTYICSA-N 1 2 292.387 0.168 20 30 CCEDLO C=C[C@@H](C)Nc1nc(NCCOC)[nH+]c(N[C@@H](C)C=C)n1 ZINC000448133538 389978874 /nfs/dbraw/zinc/97/88/74/389978874.db2.gz XOYVIXVBDYRXSB-PHIMTYICSA-N 1 2 292.387 0.168 20 30 CCEDLO C=C[C@@H](C)Nc1nc(NCCOC)nc(N[C@@H](C)C=C)[nH+]1 ZINC000448133538 389978877 /nfs/dbraw/zinc/97/88/77/389978877.db2.gz XOYVIXVBDYRXSB-PHIMTYICSA-N 1 2 292.387 0.168 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000439332272 390019818 /nfs/dbraw/zinc/01/98/18/390019818.db2.gz UMRFBWALFNYJBQ-SECBINFHSA-N 1 2 276.296 0.789 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491676515 390115786 /nfs/dbraw/zinc/11/57/86/390115786.db2.gz OENQEUWZOATXKG-VIFPVBQESA-N 1 2 251.355 0.885 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491676515 390115787 /nfs/dbraw/zinc/11/57/87/390115787.db2.gz OENQEUWZOATXKG-VIFPVBQESA-N 1 2 251.355 0.885 20 30 CCEDLO C=C(C)C[N@@H+](CC)Cc1nc(CC(=O)NC)no1 ZINC000494473366 390176310 /nfs/dbraw/zinc/17/63/10/390176310.db2.gz KHCHOUKFIJAVJU-UHFFFAOYSA-N 1 2 252.318 0.756 20 30 CCEDLO C=C(C)C[N@H+](CC)Cc1nc(CC(=O)NC)no1 ZINC000494473366 390176312 /nfs/dbraw/zinc/17/63/12/390176312.db2.gz KHCHOUKFIJAVJU-UHFFFAOYSA-N 1 2 252.318 0.756 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496295820 390335021 /nfs/dbraw/zinc/33/50/21/390335021.db2.gz SDVNRKWGCLFDKL-GHMZBOCLSA-N 1 2 296.371 0.471 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496295820 390335026 /nfs/dbraw/zinc/33/50/26/390335026.db2.gz SDVNRKWGCLFDKL-GHMZBOCLSA-N 1 2 296.371 0.471 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)OC(C)(C)C ZINC000497080949 390414435 /nfs/dbraw/zinc/41/44/35/390414435.db2.gz HUZRVLHLDCORTO-AWEZNQCLSA-N 1 2 298.387 0.861 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000553869324 390419002 /nfs/dbraw/zinc/41/90/02/390419002.db2.gz JZRHVXAOYOKWKQ-UHFFFAOYSA-N 1 2 261.329 0.414 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000553869324 390419004 /nfs/dbraw/zinc/41/90/04/390419004.db2.gz JZRHVXAOYOKWKQ-UHFFFAOYSA-N 1 2 261.329 0.414 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000645115354 390373584 /nfs/dbraw/zinc/37/35/84/390373584.db2.gz NZEDENBDQQSXCM-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000649181633 390510809 /nfs/dbraw/zinc/51/08/09/390510809.db2.gz FNUOVLIZMCVQDH-GFCCVEGCSA-N 1 2 288.338 0.854 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccnn3C)CC2)c1C#N ZINC000526074222 390676228 /nfs/dbraw/zinc/67/62/28/390676228.db2.gz RJFYWPOJFXHOQD-UHFFFAOYSA-N 1 2 299.382 0.656 20 30 CCEDLO N#Cc1nc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[nH]c1C#N ZINC000567350441 390694227 /nfs/dbraw/zinc/69/42/27/390694227.db2.gz HVQGBDKNPAIBKC-JVXZTZIISA-N 1 2 256.269 0.091 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000528630477 390764497 /nfs/dbraw/zinc/76/44/97/390764497.db2.gz RUFYMVKMHNUMMU-SDDRHHMPSA-N 1 2 266.345 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000528630477 390764499 /nfs/dbraw/zinc/76/44/99/390764499.db2.gz RUFYMVKMHNUMMU-SDDRHHMPSA-N 1 2 266.345 0.308 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528725157 390771184 /nfs/dbraw/zinc/77/11/84/390771184.db2.gz QXORBIIOJQZCRF-CQSZACIVSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](COCC)C1 ZINC000528725157 390771186 /nfs/dbraw/zinc/77/11/86/390771186.db2.gz QXORBIIOJQZCRF-CQSZACIVSA-N 1 2 282.384 0.924 20 30 CCEDLO C[C@]1(CO)C[N@@H+](Cc2nc(C#N)cs2)C[C@@]1(C)CO ZINC000528753881 390774813 /nfs/dbraw/zinc/77/48/13/390774813.db2.gz MYKWUAOIJXNTQV-BETUJISGSA-N 1 2 281.381 0.828 20 30 CCEDLO C[C@]1(CO)C[N@H+](Cc2nc(C#N)cs2)C[C@@]1(C)CO ZINC000528753881 390774814 /nfs/dbraw/zinc/77/48/14/390774814.db2.gz MYKWUAOIJXNTQV-BETUJISGSA-N 1 2 281.381 0.828 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc2nccn12 ZINC000578016609 390859827 /nfs/dbraw/zinc/85/98/27/390859827.db2.gz DNSNPANSLXYMFC-ZDUSSCGKSA-N 1 2 291.380 0.898 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc[nH]n2)nc1 ZINC000577859204 390848557 /nfs/dbraw/zinc/84/85/57/390848557.db2.gz PTDUAIRSRRVEII-UHFFFAOYSA-N 1 2 291.336 0.240 20 30 CCEDLO N#Cc1cncc(Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000578743607 390899904 /nfs/dbraw/zinc/89/99/04/390899904.db2.gz KNQDNFNWEZHJCZ-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452091245 533497129 /nfs/dbraw/zinc/49/71/29/533497129.db2.gz VOCBUNHDQPZWPR-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452091245 533497134 /nfs/dbraw/zinc/49/71/34/533497134.db2.gz VOCBUNHDQPZWPR-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO C=CCCOCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000684068898 545608158 /nfs/dbraw/zinc/60/81/58/545608158.db2.gz CXONZVDABWYJCL-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000268669606 132045672 /nfs/dbraw/zinc/04/56/72/132045672.db2.gz JZRKMPQNHZXJRW-CYBMUJFWSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000268669606 132045673 /nfs/dbraw/zinc/04/56/73/132045673.db2.gz JZRKMPQNHZXJRW-CYBMUJFWSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000658411231 413140780 /nfs/dbraw/zinc/14/07/80/413140780.db2.gz GPCXEDOAUZEJFK-CQSZACIVSA-N 1 2 293.411 0.965 20 30 CCEDLO CC#CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000278785729 397442361 /nfs/dbraw/zinc/44/23/61/397442361.db2.gz HTGMBMUQVKQWOE-LBPRGKRZSA-N 1 2 273.336 0.946 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(C)c1C#N ZINC000357176543 144067318 /nfs/dbraw/zinc/06/73/18/144067318.db2.gz ZEHCZDBLRKHPPJ-LLVKDONJSA-N 1 2 291.355 0.084 20 30 CCEDLO C[C@H]([C@H](C)Nc1ccncc1C#N)[NH+]1CCOCC1 ZINC000548152910 286011373 /nfs/dbraw/zinc/01/13/73/286011373.db2.gz KFUIGAQONSYTRK-NWDGAFQWSA-N 1 2 260.341 0.896 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753958748 581714646 /nfs/dbraw/zinc/71/46/46/581714646.db2.gz ANCKUSKKSIFBBG-SECBINFHSA-N 1 2 259.375 0.927 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753958748 581714649 /nfs/dbraw/zinc/71/46/49/581714649.db2.gz ANCKUSKKSIFBBG-SECBINFHSA-N 1 2 259.375 0.927 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000652057911 411982016 /nfs/dbraw/zinc/98/20/16/411982016.db2.gz SKLWVTQQHJZETF-OLZOCXBDSA-N 1 2 283.372 0.351 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)NC)CC2)nn1 ZINC000653762492 412343009 /nfs/dbraw/zinc/34/30/09/412343009.db2.gz FCKWBUFGZFJQSH-UHFFFAOYSA-N 1 2 292.387 0.748 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1COC[C@H]1O ZINC000285440338 196284700 /nfs/dbraw/zinc/28/47/00/196284700.db2.gz FRQWUADDRMOHHB-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1COC[C@H]1O ZINC000285440338 196284702 /nfs/dbraw/zinc/28/47/02/196284702.db2.gz FRQWUADDRMOHHB-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C=CCOCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661007586 414543572 /nfs/dbraw/zinc/54/35/72/414543572.db2.gz MSABUPCADMLDKS-ZDUSSCGKSA-N 1 2 283.372 0.305 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000661338934 414601941 /nfs/dbraw/zinc/60/19/41/414601941.db2.gz ZRDZKANNYYQKPZ-SNVBAGLBSA-N 1 2 289.343 0.758 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000078656736 177367439 /nfs/dbraw/zinc/36/74/39/177367439.db2.gz KIDUBKFIUUYGKX-UHFFFAOYSA-N 1 2 283.328 0.633 20 30 CCEDLO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000329017741 227259614 /nfs/dbraw/zinc/25/96/14/227259614.db2.gz RGZKCDUCUVPNMH-NSHDSACASA-N 1 2 272.370 0.640 20 30 CCEDLO O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000329017741 227259617 /nfs/dbraw/zinc/25/96/17/227259617.db2.gz RGZKCDUCUVPNMH-NSHDSACASA-N 1 2 272.370 0.640 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000329109670 227301753 /nfs/dbraw/zinc/30/17/53/227301753.db2.gz QAFROWSMEBZPAA-FRRDWIJNSA-N 1 2 285.388 0.778 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3CC3)CC2)cn1 ZINC000329163046 227334358 /nfs/dbraw/zinc/33/43/58/227334358.db2.gz GAPHSCCPWRDSTE-UHFFFAOYSA-N 1 2 277.372 0.862 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329968551 228001305 /nfs/dbraw/zinc/00/13/05/228001305.db2.gz WSJBIPUSJCBQNJ-AGIUHOORSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329968551 228001306 /nfs/dbraw/zinc/00/13/06/228001306.db2.gz WSJBIPUSJCBQNJ-AGIUHOORSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329968551 228001308 /nfs/dbraw/zinc/00/13/08/228001308.db2.gz WSJBIPUSJCBQNJ-AGIUHOORSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329968551 228001310 /nfs/dbraw/zinc/00/13/10/228001310.db2.gz WSJBIPUSJCBQNJ-AGIUHOORSA-N 1 2 293.371 0.200 20 30 CCEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000329991350 228009137 /nfs/dbraw/zinc/00/91/37/228009137.db2.gz JUQRSWWRMZITOO-IMRBUKKESA-N 1 2 288.351 0.762 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCO1 ZINC000330223835 228072054 /nfs/dbraw/zinc/07/20/54/228072054.db2.gz SMOVUKSVPXMJSU-QWRGUYRKSA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(NC[C@@H]1CCCO1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330223835 228072055 /nfs/dbraw/zinc/07/20/55/228072055.db2.gz SMOVUKSVPXMJSU-QWRGUYRKSA-N 1 2 264.329 0.881 20 30 CCEDLO O=C(NC[C@H]1COCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328748049 545019143 /nfs/dbraw/zinc/01/91/43/545019143.db2.gz LXHBECXARWTJMQ-LBPRGKRZSA-N 1 2 294.355 0.919 20 30 CCEDLO CS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407987021 260150457 /nfs/dbraw/zinc/15/04/57/260150457.db2.gz BKSBKCFWMMIVBL-GHMZBOCLSA-N 1 2 257.359 0.256 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC(C)(C)C1 ZINC000073872072 260164524 /nfs/dbraw/zinc/16/45/24/260164524.db2.gz SWZSXEZOSWNQKM-LLVKDONJSA-N 1 2 253.346 0.858 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCOC(C)(C)C1 ZINC000073872072 260164526 /nfs/dbraw/zinc/16/45/26/260164526.db2.gz SWZSXEZOSWNQKM-LLVKDONJSA-N 1 2 253.346 0.858 20 30 CCEDLO CC(=O)N1CC[N@H+](CC(=O)NCC#N)CC12CCCCC2 ZINC000408044567 260192408 /nfs/dbraw/zinc/19/24/08/260192408.db2.gz ABZABEVLEBAYIR-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CC(=O)N1CC[N@@H+](CC(=O)NCC#N)CC12CCCCC2 ZINC000408044567 260192410 /nfs/dbraw/zinc/19/24/10/260192410.db2.gz ABZABEVLEBAYIR-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000049065855 260203327 /nfs/dbraw/zinc/20/33/27/260203327.db2.gz MONLKAXJJCNUBJ-UHFFFAOYSA-N 1 2 256.331 0.419 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1CCCCO1 ZINC000517804318 260308216 /nfs/dbraw/zinc/30/82/16/260308216.db2.gz SHCDPXCBDUZTOS-WCQYABFASA-N 1 2 253.346 0.906 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000078639955 260301582 /nfs/dbraw/zinc/30/15/82/260301582.db2.gz WJOLLZHPLKLELD-UHFFFAOYSA-N 1 2 294.311 0.716 20 30 CCEDLO C=CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000448391452 261138108 /nfs/dbraw/zinc/13/81/08/261138108.db2.gz ULPPNMTYVUDNJF-CYBMUJFWSA-N 1 2 285.388 0.287 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000490839267 261225017 /nfs/dbraw/zinc/22/50/17/261225017.db2.gz HZIBKOHQPDWMOR-UHFFFAOYSA-N 1 2 292.339 0.079 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000490839267 261225018 /nfs/dbraw/zinc/22/50/18/261225018.db2.gz HZIBKOHQPDWMOR-UHFFFAOYSA-N 1 2 292.339 0.079 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000490865375 261229292 /nfs/dbraw/zinc/22/92/92/261229292.db2.gz BQGQQIAOBROEAB-NSHDSACASA-N 1 2 293.392 0.434 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000490865375 261229294 /nfs/dbraw/zinc/22/92/94/261229294.db2.gz BQGQQIAOBROEAB-NSHDSACASA-N 1 2 293.392 0.434 20 30 CCEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000103504875 261282953 /nfs/dbraw/zinc/28/29/53/261282953.db2.gz OYPBLHTYNHIRKJ-NSHDSACASA-N 1 2 280.372 0.167 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2OC)CC1 ZINC000491015200 261297351 /nfs/dbraw/zinc/29/73/51/261297351.db2.gz WVRQHUJDZGOAMK-UHFFFAOYSA-N 1 2 289.335 0.246 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(CC#N)CC1 ZINC000430158979 262773680 /nfs/dbraw/zinc/77/36/80/262773680.db2.gz ZKWYKZGBDKEKFY-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CO/N=C/C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000283028679 263080378 /nfs/dbraw/zinc/08/03/78/263080378.db2.gz QWHYTRGYLWFOBU-DSQDWWTGSA-N 1 2 291.351 0.808 20 30 CCEDLO CO/N=C/C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000283742947 263083891 /nfs/dbraw/zinc/08/38/91/263083891.db2.gz NHLRLFCUDCIIOS-DTQASYIRSA-N 1 2 292.339 0.555 20 30 CCEDLO CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000284652811 263087707 /nfs/dbraw/zinc/08/77/07/263087707.db2.gz XATSRBDYTXMQGJ-LLVKDONJSA-N 1 2 261.329 0.793 20 30 CCEDLO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000284652811 263087708 /nfs/dbraw/zinc/08/77/08/263087708.db2.gz XATSRBDYTXMQGJ-LLVKDONJSA-N 1 2 261.329 0.793 20 30 CCEDLO Cn1nnc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000289475732 263110460 /nfs/dbraw/zinc/11/04/60/263110460.db2.gz XMYXZARMMJHWDS-UHFFFAOYSA-N 1 2 280.719 0.895 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341978499 263369631 /nfs/dbraw/zinc/36/96/31/263369631.db2.gz AIDZJUKSDIHTOQ-UHFFFAOYSA-N 1 2 294.355 0.250 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1[C@H]3CN(CC#N)C[C@H]31)C2 ZINC000960647935 649856995 /nfs/dbraw/zinc/85/69/95/649856995.db2.gz MRLQVYVQLZRTLH-UUIJZJDISA-N 1 2 299.378 0.393 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1[C@H]3CN(CC#N)C[C@H]31)CC2 ZINC000960647935 649856996 /nfs/dbraw/zinc/85/69/96/649856996.db2.gz MRLQVYVQLZRTLH-UUIJZJDISA-N 1 2 299.378 0.393 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330679234 264002688 /nfs/dbraw/zinc/00/26/88/264002688.db2.gz DDZZONVRPCQVPL-SNVBAGLBSA-N 1 2 267.333 0.560 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330679234 264002686 /nfs/dbraw/zinc/00/26/86/264002686.db2.gz DDZZONVRPCQVPL-SNVBAGLBSA-N 1 2 267.333 0.560 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330720073 264024202 /nfs/dbraw/zinc/02/42/02/264024202.db2.gz BJLPKJPUWNDQFV-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO CNC(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000330748723 264028925 /nfs/dbraw/zinc/02/89/25/264028925.db2.gz XYCDHFQKADMGGP-UHFFFAOYSA-N 1 2 265.317 0.030 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330844389 264066234 /nfs/dbraw/zinc/06/62/34/264066234.db2.gz NGEAEHDDJJIDIA-ZDUSSCGKSA-N 1 2 287.363 0.778 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330937030 264082086 /nfs/dbraw/zinc/08/20/86/264082086.db2.gz TZVFYJXAGSFPMZ-STQMWFEESA-N 1 2 286.420 0.143 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330937030 264082087 /nfs/dbraw/zinc/08/20/87/264082087.db2.gz TZVFYJXAGSFPMZ-STQMWFEESA-N 1 2 286.420 0.143 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000330938944 264082686 /nfs/dbraw/zinc/08/26/86/264082686.db2.gz CHSWTXPHVFKDTF-SNVBAGLBSA-N 1 2 280.328 0.104 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000330938944 264082690 /nfs/dbraw/zinc/08/26/90/264082690.db2.gz CHSWTXPHVFKDTF-SNVBAGLBSA-N 1 2 280.328 0.104 20 30 CCEDLO CO[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000330945911 264085296 /nfs/dbraw/zinc/08/52/96/264085296.db2.gz KHHIENBBBYUNPY-UONOGXRCSA-N 1 2 299.415 0.978 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330958305 264088321 /nfs/dbraw/zinc/08/83/21/264088321.db2.gz WOIZTIVXLGQXHS-NEPJUHHUSA-N 1 2 295.387 0.202 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330958305 264088324 /nfs/dbraw/zinc/08/83/24/264088324.db2.gz WOIZTIVXLGQXHS-NEPJUHHUSA-N 1 2 295.387 0.202 20 30 CCEDLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330957796 264088447 /nfs/dbraw/zinc/08/84/47/264088447.db2.gz VVZXDGYVZPUTJN-ZJUUUORDSA-N 1 2 257.334 0.536 20 30 CCEDLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330957796 264088448 /nfs/dbraw/zinc/08/84/48/264088448.db2.gz VVZXDGYVZPUTJN-ZJUUUORDSA-N 1 2 257.334 0.536 20 30 CCEDLO C[C@H](NC(=O)N1CC[C@H](CCO)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330933085 264096643 /nfs/dbraw/zinc/09/66/43/264096643.db2.gz BPBCTODXFRXWBE-MELADBBJSA-N 1 2 299.415 0.714 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)NCC(F)(F)CO)CCO1 ZINC000331004889 264105725 /nfs/dbraw/zinc/10/57/25/264105725.db2.gz RXTFPWHRDSMMPJ-UHFFFAOYSA-N 1 2 295.330 0.228 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)NCC(F)(F)CO)CCO1 ZINC000331004889 264105728 /nfs/dbraw/zinc/10/57/28/264105728.db2.gz RXTFPWHRDSMMPJ-UHFFFAOYSA-N 1 2 295.330 0.228 20 30 CCEDLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000331167433 264145276 /nfs/dbraw/zinc/14/52/76/264145276.db2.gz UDVCGLSVFRYCHF-CYBMUJFWSA-N 1 2 264.325 0.814 20 30 CCEDLO CNC(=O)c1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000331167433 264145278 /nfs/dbraw/zinc/14/52/78/264145278.db2.gz UDVCGLSVFRYCHF-CYBMUJFWSA-N 1 2 264.325 0.814 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189433310 264298147 /nfs/dbraw/zinc/29/81/47/264298147.db2.gz HBZVQDJXNAROIJ-OLZOCXBDSA-N 1 2 283.372 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189433310 264298150 /nfs/dbraw/zinc/29/81/50/264298150.db2.gz HBZVQDJXNAROIJ-OLZOCXBDSA-N 1 2 283.372 0.484 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190183615 264397487 /nfs/dbraw/zinc/39/74/87/264397487.db2.gz SIASZWFSAXIHBC-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190183615 264397488 /nfs/dbraw/zinc/39/74/88/264397488.db2.gz SIASZWFSAXIHBC-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892064 264846092 /nfs/dbraw/zinc/84/60/92/264846092.db2.gz JDHXAZCYWIDSKH-UONOGXRCSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892064 264846095 /nfs/dbraw/zinc/84/60/95/264846095.db2.gz JDHXAZCYWIDSKH-UONOGXRCSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518862812 265188500 /nfs/dbraw/zinc/18/85/00/265188500.db2.gz BDDFQPGGERSTMD-UHFFFAOYSA-N 1 2 287.323 0.937 20 30 CCEDLO CCN(CCCNc1cc(C)[nH+]cc1C#N)S(C)(=O)=O ZINC000399492066 266124021 /nfs/dbraw/zinc/12/40/21/266124021.db2.gz GANLCCUMDXKANB-UHFFFAOYSA-N 1 2 296.396 0.767 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000356850308 266189135 /nfs/dbraw/zinc/18/91/35/266189135.db2.gz QRODHXIETWJGDQ-JTQLQIEISA-N 1 2 258.281 0.544 20 30 CCEDLO C=C[C@H](CO)Nc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000357586910 266330929 /nfs/dbraw/zinc/33/09/29/266330929.db2.gz ZZABQJFSMNRENT-MRVPVSSYSA-N 1 2 290.323 0.440 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000357822588 266372461 /nfs/dbraw/zinc/37/24/61/266372461.db2.gz HXOKZLFSBWUOBD-GFCCVEGCSA-N 1 2 258.325 0.885 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362585257 267011528 /nfs/dbraw/zinc/01/15/28/267011528.db2.gz CLJPCXUMHAPZEI-SNVBAGLBSA-N 1 2 298.387 0.233 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362585257 267011530 /nfs/dbraw/zinc/01/15/30/267011530.db2.gz CLJPCXUMHAPZEI-SNVBAGLBSA-N 1 2 298.387 0.233 20 30 CCEDLO C#CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367501126 267095105 /nfs/dbraw/zinc/09/51/05/267095105.db2.gz VJQFRSGLGUVUFF-RYUDHWBXSA-N 1 2 251.330 0.124 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000367708737 267111885 /nfs/dbraw/zinc/11/18/85/267111885.db2.gz RJQMBVJHXIOPNQ-WCQYABFASA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000367708737 267111887 /nfs/dbraw/zinc/11/18/87/267111887.db2.gz RJQMBVJHXIOPNQ-WCQYABFASA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000368547595 267183652 /nfs/dbraw/zinc/18/36/52/267183652.db2.gz BBVITVPYVTXEKK-UHFFFAOYSA-N 1 2 279.384 0.774 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000368547595 267183657 /nfs/dbraw/zinc/18/36/57/267183657.db2.gz BBVITVPYVTXEKK-UHFFFAOYSA-N 1 2 279.384 0.774 20 30 CCEDLO C[C@@H](CC#N)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368625527 267192119 /nfs/dbraw/zinc/19/21/19/267192119.db2.gz ZCIXAYPDQMVQSN-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000370437681 267318758 /nfs/dbraw/zinc/31/87/58/267318758.db2.gz ZDUCXKMWXJKWRK-LBPRGKRZSA-N 1 2 269.370 0.224 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CO[C@@H](C)C2)c1C#N ZINC000527135243 267347412 /nfs/dbraw/zinc/34/74/12/267347412.db2.gz UDMVRLSJLROIBE-UWVGGRQHSA-N 1 2 291.355 0.219 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000225802853 288070825 /nfs/dbraw/zinc/07/08/25/288070825.db2.gz MAKUDBXCZWKVBU-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000225802853 288070828 /nfs/dbraw/zinc/07/08/28/288070828.db2.gz MAKUDBXCZWKVBU-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329597559 297393125 /nfs/dbraw/zinc/39/31/25/297393125.db2.gz IZKVCRSQOHWKHG-YIYPIFLZSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329597559 297393127 /nfs/dbraw/zinc/39/31/27/297393127.db2.gz IZKVCRSQOHWKHG-YIYPIFLZSA-N 1 2 297.399 0.730 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000331286564 303199609 /nfs/dbraw/zinc/19/96/09/303199609.db2.gz HHYWXHQDSGLJIH-TUAOUCFPSA-N 1 2 261.281 0.172 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000331286564 303199613 /nfs/dbraw/zinc/19/96/13/303199613.db2.gz HHYWXHQDSGLJIH-TUAOUCFPSA-N 1 2 261.281 0.172 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122044000 328389261 /nfs/dbraw/zinc/38/92/61/328389261.db2.gz OXRLIUCKFMRLKE-AGIUHOORSA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122044000 328389263 /nfs/dbraw/zinc/38/92/63/328389263.db2.gz OXRLIUCKFMRLKE-AGIUHOORSA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122043824 328389624 /nfs/dbraw/zinc/38/96/24/328389624.db2.gz OXRLIUCKFMRLKE-FRRDWIJNSA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122043824 328389625 /nfs/dbraw/zinc/38/96/25/328389625.db2.gz OXRLIUCKFMRLKE-FRRDWIJNSA-N 1 2 295.383 0.150 20 30 CCEDLO CCn1nccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330682457 328466409 /nfs/dbraw/zinc/46/64/09/328466409.db2.gz HPIMWXBNZACUQJ-LLVKDONJSA-N 1 2 281.360 0.950 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283433959 328513727 /nfs/dbraw/zinc/51/37/27/328513727.db2.gz BUWZXYMXFFAJHM-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOC1CCOCC1 ZINC000558903126 327130838 /nfs/dbraw/zinc/13/08/38/327130838.db2.gz XWJHUJDVEDTNTL-AWEZNQCLSA-N 1 2 283.372 0.532 20 30 CCEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(C#N)CC1 ZINC000555710132 327249553 /nfs/dbraw/zinc/24/95/53/327249553.db2.gz VRCVOICXLMLLHQ-UHFFFAOYSA-N 1 2 289.383 0.959 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000155329658 327392151 /nfs/dbraw/zinc/39/21/51/327392151.db2.gz YBJFFEGNASIXOI-LBPRGKRZSA-N 1 2 254.378 0.450 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000103145607 328762751 /nfs/dbraw/zinc/76/27/51/328762751.db2.gz VWHKOGOVYWJRDQ-UHFFFAOYSA-N 1 2 263.385 0.686 20 30 CCEDLO C=CCC[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378407297 329049452 /nfs/dbraw/zinc/04/94/52/329049452.db2.gz UXWMOAIHCCUALM-UONOGXRCSA-N 1 2 254.374 0.720 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CC(=O)NC3=O)CC2)cc1 ZINC000583701526 329093206 /nfs/dbraw/zinc/09/32/06/329093206.db2.gz RMWZSBTUSFFAQI-CQSZACIVSA-N 1 2 298.346 0.091 20 30 CCEDLO CN1CCC[C@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000583239917 329390976 /nfs/dbraw/zinc/39/09/76/329390976.db2.gz WDNWRTZVVLSVKA-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000583841359 329486371 /nfs/dbraw/zinc/48/63/71/329486371.db2.gz PZQQQIBEPWIOFP-UHFFFAOYSA-N 1 2 289.320 0.395 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000419924434 329749123 /nfs/dbraw/zinc/74/91/23/329749123.db2.gz MXRJBHFJLXUXJU-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248567718 329892125 /nfs/dbraw/zinc/89/21/25/329892125.db2.gz LFIODDGQBLMBQJ-FRRDWIJNSA-N 1 2 285.388 0.332 20 30 CCEDLO CCN(CC)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686384 329968660 /nfs/dbraw/zinc/96/86/60/329968660.db2.gz VYTXLBFSXYNXOD-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO Cc1nc(CN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000081515527 330212633 /nfs/dbraw/zinc/21/26/33/330212633.db2.gz LHWGBEMXRAXWLA-UHFFFAOYSA-N 1 2 279.344 0.426 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399945708 330249210 /nfs/dbraw/zinc/24/92/10/330249210.db2.gz WVTAKDOPEFZMON-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399945708 330249211 /nfs/dbraw/zinc/24/92/11/330249211.db2.gz WVTAKDOPEFZMON-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000424207646 330327822 /nfs/dbraw/zinc/32/78/22/330327822.db2.gz JETWMMHVLWGABV-AEJSXWLSSA-N 1 2 260.284 0.691 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000424587198 330390834 /nfs/dbraw/zinc/39/08/34/330390834.db2.gz GPJVMDYQQHLFER-LLVKDONJSA-N 1 2 274.328 0.869 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451443357 331029744 /nfs/dbraw/zinc/02/97/44/331029744.db2.gz YUWIBEFLYQRTNN-QWHCGFSZSA-N 1 2 289.326 0.743 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451443357 331029745 /nfs/dbraw/zinc/02/97/45/331029745.db2.gz YUWIBEFLYQRTNN-QWHCGFSZSA-N 1 2 289.326 0.743 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751716 331041108 /nfs/dbraw/zinc/04/11/08/331041108.db2.gz VJKAFGQLICPXRQ-FMCLSXCISA-N 1 2 283.372 0.121 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751716 331041109 /nfs/dbraw/zinc/04/11/09/331041109.db2.gz VJKAFGQLICPXRQ-FMCLSXCISA-N 1 2 283.372 0.121 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000456770325 331202253 /nfs/dbraw/zinc/20/22/53/331202253.db2.gz RVPHHPZJHXHCEE-HUUCEWRRSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000456770325 331202254 /nfs/dbraw/zinc/20/22/54/331202254.db2.gz RVPHHPZJHXHCEE-HUUCEWRRSA-N 1 2 296.411 0.931 20 30 CCEDLO CC[C@H](C(=O)N(CC#N)CCOC)[N@@H+]1CCO[C@H](CC)C1 ZINC000457206499 331215841 /nfs/dbraw/zinc/21/58/41/331215841.db2.gz SIGFIJAJYDXECR-ZIAGYGMSSA-N 1 2 297.399 0.874 20 30 CCEDLO CC[C@H](C(=O)N(CC#N)CCOC)[N@H+]1CCO[C@H](CC)C1 ZINC000457206499 331215842 /nfs/dbraw/zinc/21/58/42/331215842.db2.gz SIGFIJAJYDXECR-ZIAGYGMSSA-N 1 2 297.399 0.874 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457443533 331223155 /nfs/dbraw/zinc/22/31/55/331223155.db2.gz SKDPACUPFSHBOS-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000458296494 331247574 /nfs/dbraw/zinc/24/75/74/331247574.db2.gz FJSLXXMUGJCPIP-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000458296494 331247575 /nfs/dbraw/zinc/24/75/75/331247575.db2.gz FJSLXXMUGJCPIP-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000489435639 332052348 /nfs/dbraw/zinc/05/23/48/332052348.db2.gz JNTXEPMDSFMIDD-CYBMUJFWSA-N 1 2 288.413 0.735 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000489435639 332052349 /nfs/dbraw/zinc/05/23/49/332052349.db2.gz JNTXEPMDSFMIDD-CYBMUJFWSA-N 1 2 288.413 0.735 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)=C(C)C)CC1 ZINC000490779579 332114978 /nfs/dbraw/zinc/11/49/78/332114978.db2.gz YEFDNZNKQIWRDT-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)=C(C)C)CC1 ZINC000490779579 332114979 /nfs/dbraw/zinc/11/49/79/332114979.db2.gz YEFDNZNKQIWRDT-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490852793 332119931 /nfs/dbraw/zinc/11/99/31/332119931.db2.gz NSEVVUHWXUCIPW-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490852793 332119932 /nfs/dbraw/zinc/11/99/32/332119932.db2.gz NSEVVUHWXUCIPW-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)NCC(=O)c1ccccc1 ZINC000490842160 332119985 /nfs/dbraw/zinc/11/99/85/332119985.db2.gz ZRCGBQFXNIOOOM-UHFFFAOYSA-N 1 2 258.321 0.941 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)NCC(=O)c1ccccc1 ZINC000490842160 332119986 /nfs/dbraw/zinc/11/99/86/332119986.db2.gz ZRCGBQFXNIOOOM-UHFFFAOYSA-N 1 2 258.321 0.941 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491304112 332185894 /nfs/dbraw/zinc/18/58/94/332185894.db2.gz DDCPFFNRIHTAHW-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCN(C(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000491349897 332195040 /nfs/dbraw/zinc/19/50/40/332195040.db2.gz KUIGTUUUEMNLGB-UHFFFAOYSA-N 1 2 267.398 0.291 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCCO)CCOC)n1 ZINC000491362029 332197061 /nfs/dbraw/zinc/19/70/61/332197061.db2.gz OXAPQWZPDGLNEJ-UHFFFAOYSA-N 1 2 251.330 0.347 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCCO)CCOC)n1 ZINC000491362029 332197062 /nfs/dbraw/zinc/19/70/62/332197062.db2.gz OXAPQWZPDGLNEJ-UHFFFAOYSA-N 1 2 251.330 0.347 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3cccnc3C2)CC1 ZINC000491484899 332219941 /nfs/dbraw/zinc/21/99/41/332219941.db2.gz LKIXZJVNPYLSIP-UHFFFAOYSA-N 1 2 284.363 0.175 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000491619659 332245792 /nfs/dbraw/zinc/24/57/92/332245792.db2.gz BJDVCQRONHKZIT-CVEARBPZSA-N 1 2 287.407 0.842 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCNC2=O)n1 ZINC000491622557 332247501 /nfs/dbraw/zinc/24/75/01/332247501.db2.gz GMHBCCDVCMUOQF-CYBMUJFWSA-N 1 2 260.341 0.617 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCNC2=O)n1 ZINC000491622557 332247502 /nfs/dbraw/zinc/24/75/02/332247502.db2.gz GMHBCCDVCMUOQF-CYBMUJFWSA-N 1 2 260.341 0.617 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000491629899 332252614 /nfs/dbraw/zinc/25/26/14/332252614.db2.gz MQBRSMMNWIWKCM-RKDXNWHRSA-N 1 2 295.364 0.718 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491640403 332260324 /nfs/dbraw/zinc/26/03/24/332260324.db2.gz OLCSGZQJNVKJAZ-MNOVXSKESA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491640403 332260325 /nfs/dbraw/zinc/26/03/25/332260325.db2.gz OLCSGZQJNVKJAZ-MNOVXSKESA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000491656643 332268366 /nfs/dbraw/zinc/26/83/66/332268366.db2.gz JKVKSWZQSSZTTC-CYBMUJFWSA-N 1 2 276.340 0.707 20 30 CCEDLO C#C[C@@H]1COCCN1C[C@@H](C)C[N@@H+]1CCOC[C@@H]1C#C ZINC000491683551 332285790 /nfs/dbraw/zinc/28/57/90/332285790.db2.gz ZQIIMCRFGPVXRI-PHZGNYQRSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H]1COCCN1C[C@@H](C)C[N@H+]1CCOC[C@@H]1C#C ZINC000491683551 332285792 /nfs/dbraw/zinc/28/57/92/332285792.db2.gz ZQIIMCRFGPVXRI-PHZGNYQRSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](C)CN1CCOC[C@@H]1C#C ZINC000491683551 332285793 /nfs/dbraw/zinc/28/57/93/332285793.db2.gz ZQIIMCRFGPVXRI-PHZGNYQRSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)CN1CCOC[C@@H]1C#C ZINC000491683551 332285795 /nfs/dbraw/zinc/28/57/95/332285795.db2.gz ZQIIMCRFGPVXRI-PHZGNYQRSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491693058 332289289 /nfs/dbraw/zinc/28/92/89/332289289.db2.gz SLUSDEDULYVVIZ-LBPRGKRZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491693058 332289290 /nfs/dbraw/zinc/28/92/90/332289290.db2.gz SLUSDEDULYVVIZ-LBPRGKRZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000491745582 332323534 /nfs/dbraw/zinc/32/35/34/332323534.db2.gz TZYFEDVHYONMGM-UHFFFAOYSA-N 1 2 266.341 0.941 20 30 CCEDLO C#CC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000491745582 332323535 /nfs/dbraw/zinc/32/35/35/332323535.db2.gz TZYFEDVHYONMGM-UHFFFAOYSA-N 1 2 266.341 0.941 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000491749440 332326244 /nfs/dbraw/zinc/32/62/44/332326244.db2.gz ZHLQLNOVCVCPFC-LBPRGKRZSA-N 1 2 259.309 0.986 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491811104 332363590 /nfs/dbraw/zinc/36/35/90/332363590.db2.gz BISDLMNIWRNMNO-SECBINFHSA-N 1 2 273.296 0.989 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491811104 332363592 /nfs/dbraw/zinc/36/35/92/332363592.db2.gz BISDLMNIWRNMNO-SECBINFHSA-N 1 2 273.296 0.989 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000491811476 332364064 /nfs/dbraw/zinc/36/40/64/332364064.db2.gz LSKJXJTZBCGUPL-LBPRGKRZSA-N 1 2 290.342 0.481 20 30 CCEDLO N#CCCN(CCOCC1CC1)CC[NH+]1CCOCC1 ZINC000174831364 333008367 /nfs/dbraw/zinc/00/83/67/333008367.db2.gz HMLQPMUDKKWCJL-UHFFFAOYSA-N 1 2 281.400 0.961 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@]2(CCOC2)O1 ZINC000576013951 335141566 /nfs/dbraw/zinc/14/15/66/335141566.db2.gz KILYQJORTMUVEK-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@]2(CCOC2)O1 ZINC000576013951 335141568 /nfs/dbraw/zinc/14/15/68/335141568.db2.gz KILYQJORTMUVEK-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000541945979 333802612 /nfs/dbraw/zinc/80/26/12/333802612.db2.gz WFHGPZKNHZMAPH-GFCCVEGCSA-N 1 2 290.371 0.407 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134743479 334102629 /nfs/dbraw/zinc/10/26/29/334102629.db2.gz BMOZBJOMVVNFMY-CQSZACIVSA-N 1 2 261.369 0.453 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000136059517 334145838 /nfs/dbraw/zinc/14/58/38/334145838.db2.gz JOQWNLYUPKGPLA-GFCCVEGCSA-N 1 2 292.383 0.004 20 30 CCEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245459144 334195116 /nfs/dbraw/zinc/19/51/16/334195116.db2.gz LBMBSPXRMRCFAZ-YRGRVCCFSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245459144 334195118 /nfs/dbraw/zinc/19/51/18/334195118.db2.gz LBMBSPXRMRCFAZ-YRGRVCCFSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248799992 334317716 /nfs/dbraw/zinc/31/77/16/334317716.db2.gz FVPJHUZEFMCQEE-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248799992 334317717 /nfs/dbraw/zinc/31/77/17/334317717.db2.gz FVPJHUZEFMCQEE-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387912 336193230 /nfs/dbraw/zinc/19/32/30/336193230.db2.gz ZJMPCGOGIQLRAB-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387912 336193232 /nfs/dbraw/zinc/19/32/32/336193232.db2.gz ZJMPCGOGIQLRAB-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330007501 533850917 /nfs/dbraw/zinc/85/09/17/533850917.db2.gz DPWRTEWORZKQLK-WUHRBBMRSA-N 1 2 283.372 0.198 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330176829 534753283 /nfs/dbraw/zinc/75/32/83/534753283.db2.gz KHGAVYBZAAWGBD-ZDUSSCGKSA-N 1 2 297.399 0.924 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000665929994 545109990 /nfs/dbraw/zinc/10/99/90/545109990.db2.gz JBQAUOQVDRPDKO-HNNXBMFYSA-N 1 2 275.352 0.663 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000347328062 526508698 /nfs/dbraw/zinc/50/86/98/526508698.db2.gz GIBQPKTXEIESGS-WCQYABFASA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@](F)(CO)C2)C1=O ZINC000347328062 526508700 /nfs/dbraw/zinc/50/87/00/526508700.db2.gz GIBQPKTXEIESGS-WCQYABFASA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191567786 526569739 /nfs/dbraw/zinc/56/97/39/526569739.db2.gz LZCACRUDGRXGPH-UHFFFAOYSA-N 1 2 251.334 0.425 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000367104861 526679696 /nfs/dbraw/zinc/67/96/96/526679696.db2.gz BEIITDCSGOKDGM-UHFFFAOYSA-N 1 2 255.343 0.913 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000350457950 527201705 /nfs/dbraw/zinc/20/17/05/527201705.db2.gz IWAQRCQHPFAWTA-WDEREUQCSA-N 1 2 264.329 0.434 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000329047316 527872099 /nfs/dbraw/zinc/87/20/99/527872099.db2.gz GDMUTTRBRGSYLK-NSHDSACASA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@H]1CS(=O)(=O)CCO1)C1CC1 ZINC000329047316 527872107 /nfs/dbraw/zinc/87/21/07/527872107.db2.gz GDMUTTRBRGSYLK-NSHDSACASA-N 1 2 290.385 0.241 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000677047029 545357087 /nfs/dbraw/zinc/35/70/87/545357087.db2.gz PFWJKVNVZLNUMW-ZDUSSCGKSA-N 1 2 263.385 0.685 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000677047029 545357088 /nfs/dbraw/zinc/35/70/88/545357088.db2.gz PFWJKVNVZLNUMW-ZDUSSCGKSA-N 1 2 263.385 0.685 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000677132829 545358105 /nfs/dbraw/zinc/35/81/05/545358105.db2.gz TZVSDNQOJVCZCQ-UHFFFAOYSA-N 1 2 263.341 0.750 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000372156542 536310811 /nfs/dbraw/zinc/31/08/11/536310811.db2.gz KRUKFRDJFQNMCS-ZDUSSCGKSA-N 1 2 279.365 0.682 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000372156542 536310813 /nfs/dbraw/zinc/31/08/13/536310813.db2.gz KRUKFRDJFQNMCS-ZDUSSCGKSA-N 1 2 279.365 0.682 20 30 CCEDLO CNC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268638442 536317962 /nfs/dbraw/zinc/31/79/62/536317962.db2.gz GRHRARVPDUNWNJ-CQSZACIVSA-N 1 2 288.351 0.549 20 30 CCEDLO COCC#CC[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000681694105 545459651 /nfs/dbraw/zinc/45/96/51/545459651.db2.gz DSDYTFGHJFCGMT-JTQLQIEISA-N 1 2 290.327 0.791 20 30 CCEDLO COCC#CC[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000681694107 545459777 /nfs/dbraw/zinc/45/97/77/545459777.db2.gz DSDYTFGHJFCGMT-SNVBAGLBSA-N 1 2 290.327 0.791 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](CC3OCCO3)CC2)c1C#N ZINC000788277397 581103344 /nfs/dbraw/zinc/10/33/44/581103344.db2.gz ZSSUHGKSMFBIGY-UHFFFAOYSA-N 1 2 291.355 0.095 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000125735801 581122082 /nfs/dbraw/zinc/12/20/82/581122082.db2.gz CVXPBKYLCPBKMF-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000125735801 581122085 /nfs/dbraw/zinc/12/20/85/581122085.db2.gz CVXPBKYLCPBKMF-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO CN1CCC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000778595743 581160545 /nfs/dbraw/zinc/16/05/45/581160545.db2.gz PGYYCYVKHTVEIO-CYBMUJFWSA-N 1 2 289.335 0.879 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 ZINC000789919641 581163335 /nfs/dbraw/zinc/16/33/35/581163335.db2.gz KVBNQFDOVOLIPN-UHFFFAOYSA-N 1 2 296.321 0.929 20 30 CCEDLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779878569 581212170 /nfs/dbraw/zinc/21/21/70/581212170.db2.gz DKVXXECBVXHXHF-UHFFFAOYSA-N 1 2 292.339 0.769 20 30 CCEDLO COCCO[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000780491724 581230835 /nfs/dbraw/zinc/23/08/35/581230835.db2.gz PSFIRFDWDQWXJO-ZDUSSCGKSA-N 1 2 277.324 0.415 20 30 CCEDLO COCCO[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000780491724 581230837 /nfs/dbraw/zinc/23/08/37/581230837.db2.gz PSFIRFDWDQWXJO-ZDUSSCGKSA-N 1 2 277.324 0.415 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnnn1C1CC1 ZINC000792471617 581262519 /nfs/dbraw/zinc/26/25/19/581262519.db2.gz ZLRPKCFELUYHNM-VIFPVBQESA-N 1 2 289.343 0.221 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]cc(C)c2=O)CC1 ZINC000781420123 581267898 /nfs/dbraw/zinc/26/78/98/581267898.db2.gz HVPFSKIXBVKFES-UHFFFAOYSA-N 1 2 273.336 0.464 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000781573958 581271947 /nfs/dbraw/zinc/27/19/47/581271947.db2.gz LIABVMUGNZCPLI-UHFFFAOYSA-N 1 2 292.324 0.152 20 30 CCEDLO CN(C)c1[nH+]cc(CN=Nc2ncncc2F)n1C ZINC000793214524 581288421 /nfs/dbraw/zinc/28/84/21/581288421.db2.gz NNXYQGOSXGHTCT-UHFFFAOYSA-N 1 2 263.280 0.861 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000793520971 581302118 /nfs/dbraw/zinc/30/21/18/581302118.db2.gz MWTBSKZRPADAIT-CQSZACIVSA-N 1 2 282.303 0.831 20 30 CCEDLO C#CCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000793804532 581313909 /nfs/dbraw/zinc/31/39/09/581313909.db2.gz KUOJAVFYIBYKSX-CQSZACIVSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000793804532 581313911 /nfs/dbraw/zinc/31/39/11/581313911.db2.gz KUOJAVFYIBYKSX-CQSZACIVSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000783618309 581353261 /nfs/dbraw/zinc/35/32/61/581353261.db2.gz MDHIXWOTDHOGQL-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCC(=O)OC)CC1 ZINC000783654071 581354634 /nfs/dbraw/zinc/35/46/34/581354634.db2.gz LFGKEVOMERXSEC-UHFFFAOYSA-N 1 2 295.335 0.397 20 30 CCEDLO O=C1CNC(=O)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783862964 581365981 /nfs/dbraw/zinc/36/59/81/581365981.db2.gz JDZWEANUVPWCPQ-UHFFFAOYSA-N 1 2 275.293 0.820 20 30 CCEDLO C[C@@H](C#N)CN(C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979895 581369727 /nfs/dbraw/zinc/36/97/27/581369727.db2.gz ZKXUMFAZMYWHIW-NWDGAFQWSA-N 1 2 275.356 0.785 20 30 CCEDLO COC(C[NH+]1CCN(c2cnccc2C#N)CC1)OC ZINC000795049296 581395681 /nfs/dbraw/zinc/39/56/81/581395681.db2.gz DGQZXZWMZRQVQB-UHFFFAOYSA-N 1 2 276.340 0.694 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)nc1 ZINC000784908854 581398401 /nfs/dbraw/zinc/39/84/01/581398401.db2.gz RZNXVOCSHWZBMB-LLVKDONJSA-N 1 2 275.308 0.831 20 30 CCEDLO C#CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000733647612 581516531 /nfs/dbraw/zinc/51/65/31/581516531.db2.gz HAESVBMYZTULOC-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000733647612 581516534 /nfs/dbraw/zinc/51/65/34/581516534.db2.gz HAESVBMYZTULOC-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=COCC1 ZINC000734125277 581546626 /nfs/dbraw/zinc/54/66/26/581546626.db2.gz LQYJKHULIQYSKX-UHFFFAOYSA-N 1 2 279.340 0.365 20 30 CCEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000753887806 581563409 /nfs/dbraw/zinc/56/34/09/581563409.db2.gz YRGNMMREIOTDQV-LLVKDONJSA-N 1 2 288.351 0.923 20 30 CCEDLO C#CC[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccccc1 ZINC000754142736 581577596 /nfs/dbraw/zinc/57/75/96/581577596.db2.gz VWZPBRMLKRQEDA-GFCCVEGCSA-N 1 2 256.309 0.963 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000729385224 581578890 /nfs/dbraw/zinc/57/88/90/581578890.db2.gz CSDQCGXDJNYEEM-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000729385224 581578892 /nfs/dbraw/zinc/57/88/92/581578892.db2.gz CSDQCGXDJNYEEM-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO COC[C@@H]([NH2+]CC(=O)NCCC#N)c1ccco1 ZINC000754339575 581586846 /nfs/dbraw/zinc/58/68/46/581586846.db2.gz WUIRJAYXQWLZKH-SNVBAGLBSA-N 1 2 251.286 0.587 20 30 CCEDLO CN(C)c1ncc(C=[NH+]N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000755454464 581641448 /nfs/dbraw/zinc/64/14/48/581641448.db2.gz GCMOGFARUGLDNT-MRVPVSSYSA-N 1 2 288.398 0.320 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000768175321 581647093 /nfs/dbraw/zinc/64/70/93/581647093.db2.gz QNRIJVYIKAHNGY-UHFFFAOYSA-N 1 2 289.383 0.472 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758181633 581724778 /nfs/dbraw/zinc/72/47/78/581724778.db2.gz PTNWGIXPSYUBFI-CYBMUJFWSA-N 1 2 289.335 0.953 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758181633 581724783 /nfs/dbraw/zinc/72/47/83/581724783.db2.gz PTNWGIXPSYUBFI-CYBMUJFWSA-N 1 2 289.335 0.953 20 30 CCEDLO CC(C)[N@H+]1CC(=NN[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000754254897 581734424 /nfs/dbraw/zinc/73/44/24/581734424.db2.gz QYJPURLEMGLJSJ-MNOVXSKESA-N 1 2 273.402 0.479 20 30 CCEDLO CC(C)[N@@H+]1CC(=NN[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000754254897 581734427 /nfs/dbraw/zinc/73/44/27/581734427.db2.gz QYJPURLEMGLJSJ-MNOVXSKESA-N 1 2 273.402 0.479 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000731028257 581749857 /nfs/dbraw/zinc/74/98/57/581749857.db2.gz VENOQHRJJPHLOS-UHFFFAOYSA-N 1 2 271.280 0.617 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)Cn1cc[nH+]c1 ZINC000742248198 581776181 /nfs/dbraw/zinc/77/61/81/581776181.db2.gz CKYBDZDDWUFTGM-UHFFFAOYSA-N 1 2 270.296 0.378 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000731845083 581783222 /nfs/dbraw/zinc/78/32/22/581783222.db2.gz XFTGNGPTIPPQAP-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000731845083 581783226 /nfs/dbraw/zinc/78/32/26/581783226.db2.gz XFTGNGPTIPPQAP-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO Cc1[nH]c(C(=O)NCCNc2ncccc2C#N)c[nH+]1 ZINC000731871232 581785815 /nfs/dbraw/zinc/78/58/15/581785815.db2.gz HGBOWDVZQUYCLJ-UHFFFAOYSA-N 1 2 270.296 0.827 20 30 CCEDLO NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000771577910 581810464 /nfs/dbraw/zinc/81/04/64/581810464.db2.gz INGWUDOICMBGMJ-UHFFFAOYSA-N 1 2 269.326 0.421 20 30 CCEDLO COc1c(O)c(C=NNC2=[NH+]C[C@@H](C)N2)ccc1[N+](=O)[O-] ZINC000773080659 581908003 /nfs/dbraw/zinc/90/80/03/581908003.db2.gz WVKOTKKLSYVHNN-SSDOTTSWSA-N 1 2 293.283 0.580 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000773187688 581913699 /nfs/dbraw/zinc/91/36/99/581913699.db2.gz USKMNQVLFJPLPS-RDBSUJKOSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000746890089 581926134 /nfs/dbraw/zinc/92/61/34/581926134.db2.gz VJALVINIMJDUTK-LBPRGKRZSA-N 1 2 288.395 0.918 20 30 CCEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000774026635 581953599 /nfs/dbraw/zinc/95/35/99/581953599.db2.gz LHVCVMLCHCBZMB-OLZOCXBDSA-N 1 2 276.340 0.753 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000748321256 581968461 /nfs/dbraw/zinc/96/84/61/581968461.db2.gz NFYFRFMACDQSHS-GOSISDBHSA-N 1 2 272.414 0.865 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000763017308 581977432 /nfs/dbraw/zinc/97/74/32/581977432.db2.gz HWLMKFJJDMZRIM-NEPJUHHUSA-N 1 2 289.383 0.793 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000748648030 581983265 /nfs/dbraw/zinc/98/32/65/581983265.db2.gz UAYZZESCPGGMPH-UHFFFAOYSA-N 1 2 288.413 0.382 20 30 CCEDLO COC(=O)/C(C)=C/CN(CCC#N)CC[NH+]1CCOCC1 ZINC000748825740 581989577 /nfs/dbraw/zinc/98/95/77/581989577.db2.gz XPFWJADGGYNNFI-LNKIKWGQSA-N 1 2 295.383 0.654 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000775324907 582018097 /nfs/dbraw/zinc/01/80/97/582018097.db2.gz ASSWHNGVWOUQJK-KWCYVHTRSA-N 1 2 273.336 0.743 20 30 CCEDLO CC#CCC[NH+]1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000764954397 582078466 /nfs/dbraw/zinc/07/84/66/582078466.db2.gz KBLZJAQVORFVST-UHFFFAOYSA-N 1 2 287.429 0.604 20 30 CCEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccccc1 ZINC000752154580 582101649 /nfs/dbraw/zinc/10/16/49/582101649.db2.gz IDEZTDHWDLNFCC-SNVBAGLBSA-N 1 2 267.354 0.902 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccccc1 ZINC000752154580 582101650 /nfs/dbraw/zinc/10/16/50/582101650.db2.gz IDEZTDHWDLNFCC-SNVBAGLBSA-N 1 2 267.354 0.902 20 30 CCEDLO C#CCN(CC#C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000752150195 582101761 /nfs/dbraw/zinc/10/17/61/582101761.db2.gz AWRGGFKFZGRHEC-UHFFFAOYSA-N 1 2 264.288 0.976 20 30 CCEDLO C#CCCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000805008348 612984447 /nfs/dbraw/zinc/98/44/47/612984447.db2.gz BLYUBDAOPCNVLQ-CYBMUJFWSA-N 1 2 288.413 0.288 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859600714 612985019 /nfs/dbraw/zinc/98/50/19/612985019.db2.gz IIOSTBOTEUGENK-NEPJUHHUSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCOCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859600714 612985021 /nfs/dbraw/zinc/98/50/21/612985021.db2.gz IIOSTBOTEUGENK-NEPJUHHUSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000805068508 612985521 /nfs/dbraw/zinc/98/55/21/612985521.db2.gz NRNVWKMPBPWROW-NSHDSACASA-N 1 2 267.354 0.531 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000823128564 613002345 /nfs/dbraw/zinc/00/23/45/613002345.db2.gz DMSQRJCOHLTNRK-YNEHKIRRSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000883270980 612947189 /nfs/dbraw/zinc/94/71/89/612947189.db2.gz BTAYINCLSPWWOQ-NSHDSACASA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000883270980 612947191 /nfs/dbraw/zinc/94/71/91/612947191.db2.gz BTAYINCLSPWWOQ-NSHDSACASA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000922927310 613025895 /nfs/dbraw/zinc/02/58/95/613025895.db2.gz FVYZDRCQJRZNQW-ZDUSSCGKSA-N 1 2 261.325 0.882 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@@H+](C)C2)o1 ZINC000822423073 606777190 /nfs/dbraw/zinc/77/71/90/606777190.db2.gz HNHYQGSVQFGAFG-LURJTMIESA-N 1 2 276.304 0.655 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@H+](C)C2)o1 ZINC000822423073 606777192 /nfs/dbraw/zinc/77/71/92/606777192.db2.gz HNHYQGSVQFGAFG-LURJTMIESA-N 1 2 276.304 0.655 20 30 CCEDLO C#CCN(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925600456 613071577 /nfs/dbraw/zinc/07/15/77/613071577.db2.gz FSQDUUDOURPOJX-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894033507 613100325 /nfs/dbraw/zinc/10/03/25/613100325.db2.gz GCSVGLWPVRLQMP-WDEREUQCSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894033507 613100327 /nfs/dbraw/zinc/10/03/27/613100327.db2.gz GCSVGLWPVRLQMP-WDEREUQCSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)C(C)C ZINC000905743333 613108000 /nfs/dbraw/zinc/10/80/00/613108000.db2.gz OIXSNHTUTJOTMG-UHFFFAOYSA-N 1 2 251.330 0.960 20 30 CCEDLO C#CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)C(C)C ZINC000905743333 613108001 /nfs/dbraw/zinc/10/80/01/613108001.db2.gz OIXSNHTUTJOTMG-UHFFFAOYSA-N 1 2 251.330 0.960 20 30 CCEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(CC(C)C)C1=O)C(C)C ZINC000905743618 613108225 /nfs/dbraw/zinc/10/82/25/613108225.db2.gz XBGCBVOEZYBAOE-UHFFFAOYSA-N 1 2 279.340 0.734 20 30 CCEDLO C#CC[N@H+](CN1C(=O)C(=O)N(CC(C)C)C1=O)C(C)C ZINC000905743618 613108226 /nfs/dbraw/zinc/10/82/26/613108226.db2.gz XBGCBVOEZYBAOE-UHFFFAOYSA-N 1 2 279.340 0.734 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000900665775 612967721 /nfs/dbraw/zinc/96/77/21/612967721.db2.gz AEDJLDPHRWTBPL-OAHLLOKOSA-N 1 2 276.380 0.876 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000830154676 614326716 /nfs/dbraw/zinc/32/67/16/614326716.db2.gz DLQJAQVBGAYMHE-HNNXBMFYSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000899119244 612951230 /nfs/dbraw/zinc/95/12/30/612951230.db2.gz IQLJNLSPIOGDAA-GFCCVEGCSA-N 1 2 273.336 0.432 20 30 CCEDLO C#CC1(O)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000899118585 612951570 /nfs/dbraw/zinc/95/15/70/612951570.db2.gz FMBGAFYAUAGFFM-UHFFFAOYSA-N 1 2 296.330 0.868 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000882529140 612972603 /nfs/dbraw/zinc/97/26/03/612972603.db2.gz VMRSUJHVRITNOR-CYBMUJFWSA-N 1 2 287.363 0.822 20 30 CCEDLO C#CCOCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000879676893 612984539 /nfs/dbraw/zinc/98/45/39/612984539.db2.gz GYHBJKSTVMMQGX-UHFFFAOYSA-N 1 2 294.376 0.342 20 30 CCEDLO C#CCOCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000879676893 612984541 /nfs/dbraw/zinc/98/45/41/612984541.db2.gz GYHBJKSTVMMQGX-UHFFFAOYSA-N 1 2 294.376 0.342 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3n(n2)CCC3)C1 ZINC000950477010 612991842 /nfs/dbraw/zinc/99/18/42/612991842.db2.gz QGTRLZCPZAZDMV-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854727057 612994737 /nfs/dbraw/zinc/99/47/37/612994737.db2.gz UNDGRYANJGJAEA-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000837382479 613010329 /nfs/dbraw/zinc/01/03/29/613010329.db2.gz XJPOVKFMGDFRKU-MJBXVCDLSA-N 1 2 274.364 0.769 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000875928685 613034372 /nfs/dbraw/zinc/03/43/72/613034372.db2.gz MZPZVEWHIQTASD-NSHDSACASA-N 1 2 262.313 0.447 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000858140865 613036319 /nfs/dbraw/zinc/03/63/19/613036319.db2.gz IUQJKYXFSUUQPV-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000799078216 613058069 /nfs/dbraw/zinc/05/80/69/613058069.db2.gz AUALXBBJCNDAAT-CABCVRRESA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000799078216 613058070 /nfs/dbraw/zinc/05/80/70/613058070.db2.gz AUALXBBJCNDAAT-CABCVRRESA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897657393 613060169 /nfs/dbraw/zinc/06/01/69/613060169.db2.gz QQUAYFIYROPTKE-LBPRGKRZSA-N 1 2 263.341 0.817 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875927985 613064524 /nfs/dbraw/zinc/06/45/24/613064524.db2.gz NYNVOJGCUYIFFT-GHMZBOCLSA-N 1 2 262.313 0.145 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000863799065 613065740 /nfs/dbraw/zinc/06/57/40/613065740.db2.gz VPNYGBFYDHLYJM-NWDGAFQWSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000848220773 613068489 /nfs/dbraw/zinc/06/84/89/613068489.db2.gz MOOWUSRMQZCMRE-ONGXEEELSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000848220773 613068491 /nfs/dbraw/zinc/06/84/91/613068491.db2.gz MOOWUSRMQZCMRE-ONGXEEELSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000192239549 613072208 /nfs/dbraw/zinc/07/22/08/613072208.db2.gz WASIRJRAVUQQKK-CQSZACIVSA-N 1 2 276.384 0.244 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000192239549 613072210 /nfs/dbraw/zinc/07/22/10/613072210.db2.gz WASIRJRAVUQQKK-CQSZACIVSA-N 1 2 276.384 0.244 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811184512 613082077 /nfs/dbraw/zinc/08/20/77/613082077.db2.gz PNAANFJEIRIFFZ-YPMHNXCESA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811184512 613082079 /nfs/dbraw/zinc/08/20/79/613082079.db2.gz PNAANFJEIRIFFZ-YPMHNXCESA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000854078859 613083297 /nfs/dbraw/zinc/08/32/97/613083297.db2.gz RBLRJWQMVXYCJR-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000854768466 613086972 /nfs/dbraw/zinc/08/69/72/613086972.db2.gz PTIWWMPBGGHADN-NSHDSACASA-N 1 2 257.293 0.296 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851785648 613100416 /nfs/dbraw/zinc/10/04/16/613100416.db2.gz RSWQXDBHAGXPKZ-INIZCTEOSA-N 1 2 270.332 0.318 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851785648 613100417 /nfs/dbraw/zinc/10/04/17/613100417.db2.gz RSWQXDBHAGXPKZ-INIZCTEOSA-N 1 2 270.332 0.318 20 30 CCEDLO C#C[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000882335761 613106635 /nfs/dbraw/zinc/10/66/35/613106635.db2.gz YPKGXTQDGJYOQY-GFCCVEGCSA-N 1 2 267.354 0.558 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000864350284 613109974 /nfs/dbraw/zinc/10/99/74/613109974.db2.gz GENLLIYSUAAZCD-ZDUSSCGKSA-N 1 2 270.288 0.469 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000864350284 613109975 /nfs/dbraw/zinc/10/99/75/613109975.db2.gz GENLLIYSUAAZCD-ZDUSSCGKSA-N 1 2 270.288 0.469 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC000941541218 613114609 /nfs/dbraw/zinc/11/46/09/613114609.db2.gz XGEOXWKPLBRSJR-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C4CC4)CC3)CC2)C1 ZINC000941448877 613114697 /nfs/dbraw/zinc/11/46/97/613114697.db2.gz HHRIKCNQNLLRMH-UHFFFAOYSA-N 1 2 287.407 0.638 20 30 CCEDLO C#C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000820412741 613115161 /nfs/dbraw/zinc/11/51/61/613115161.db2.gz PCMRUZQPNOCLJR-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3[nH]ccc3C)CC2)C1 ZINC000941396516 613115634 /nfs/dbraw/zinc/11/56/34/613115634.db2.gz IUWLEVMFIUHJDW-UHFFFAOYSA-N 1 2 286.379 0.398 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)C1 ZINC000941622883 613115809 /nfs/dbraw/zinc/11/58/09/613115809.db2.gz PFAGTSXVNWTZOQ-CVEARBPZSA-N 1 2 289.423 0.740 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)o3)CC2)C1 ZINC000941296320 613115813 /nfs/dbraw/zinc/11/58/13/613115813.db2.gz PBQVCULOYBREBN-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000941301147 613116144 /nfs/dbraw/zinc/11/61/44/613116144.db2.gz NIVRWHJDPXSBAF-UHFFFAOYSA-N 1 2 289.404 0.823 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812020512 613121112 /nfs/dbraw/zinc/12/11/12/613121112.db2.gz CYUQGDQSWCCZPD-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812020512 613121113 /nfs/dbraw/zinc/12/11/13/613121113.db2.gz CYUQGDQSWCCZPD-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)NCc2n[nH]c(CC)n2)CC1 ZINC000922645471 613134327 /nfs/dbraw/zinc/13/43/27/613134327.db2.gz YSBPVIUWZZDTET-UHFFFAOYSA-N 1 2 290.371 0.264 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000981625820 613160670 /nfs/dbraw/zinc/16/06/70/613160670.db2.gz GMBYVBVEWRFHMD-UHFFFAOYSA-N 1 2 295.346 0.806 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000981625820 613160672 /nfs/dbraw/zinc/16/06/72/613160672.db2.gz GMBYVBVEWRFHMD-UHFFFAOYSA-N 1 2 295.346 0.806 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(CC)n2)C1 ZINC000889112029 613169650 /nfs/dbraw/zinc/16/96/50/613169650.db2.gz WZYSWEDYLCRPAZ-LLVKDONJSA-N 1 2 290.371 0.264 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(CC)n2)C1 ZINC000889112029 613169651 /nfs/dbraw/zinc/16/96/51/613169651.db2.gz WZYSWEDYLCRPAZ-LLVKDONJSA-N 1 2 290.371 0.264 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cn1 ZINC000913466718 613170756 /nfs/dbraw/zinc/17/07/56/613170756.db2.gz BQTYIIVTIHNMQU-OAHLLOKOSA-N 1 2 295.346 0.583 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566619 613173199 /nfs/dbraw/zinc/17/31/99/613173199.db2.gz MPHAJAWXFSKTRP-HUUCEWRRSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000829582900 613174318 /nfs/dbraw/zinc/17/43/18/613174318.db2.gz SSLKYQUFVHUZMM-GFCCVEGCSA-N 1 2 273.336 0.213 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000829582900 613174320 /nfs/dbraw/zinc/17/43/20/613174320.db2.gz SSLKYQUFVHUZMM-GFCCVEGCSA-N 1 2 273.336 0.213 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC000923582136 613174343 /nfs/dbraw/zinc/17/43/43/613174343.db2.gz HQTCQVYFLJZDHP-SNVBAGLBSA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC000923582136 613174344 /nfs/dbraw/zinc/17/43/44/613174344.db2.gz HQTCQVYFLJZDHP-SNVBAGLBSA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2CCC(=O)CC2)C1 ZINC000923575214 613180652 /nfs/dbraw/zinc/18/06/52/613180652.db2.gz XJJXUUMILGMBSH-ZDUSSCGKSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(=O)CC2)C1 ZINC000923575214 613180654 /nfs/dbraw/zinc/18/06/54/613180654.db2.gz XJJXUUMILGMBSH-ZDUSSCGKSA-N 1 2 262.353 0.960 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cn1 ZINC000807283749 613183886 /nfs/dbraw/zinc/18/38/86/613183886.db2.gz FOTXXSYMLRPSTF-ZDUSSCGKSA-N 1 2 298.302 0.231 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[S@@](C)=O)C1 ZINC000884227402 613185885 /nfs/dbraw/zinc/18/58/85/613185885.db2.gz PBEGFBGFWHKFCD-KQHSUYLTSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[S@@](C)=O)C1 ZINC000884227402 613185887 /nfs/dbraw/zinc/18/58/87/613185887.db2.gz PBEGFBGFWHKFCD-KQHSUYLTSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=O)n2C)C1 ZINC000923557820 613191060 /nfs/dbraw/zinc/19/10/60/613191060.db2.gz SCMZVYMZTSPVOA-LBPRGKRZSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=O)n2C)C1 ZINC000923557820 613191061 /nfs/dbraw/zinc/19/10/61/613191061.db2.gz SCMZVYMZTSPVOA-LBPRGKRZSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CCC2)nn1 ZINC000880557510 613199719 /nfs/dbraw/zinc/19/97/19/613199719.db2.gz VHEXAWYPCPBOIR-AWEZNQCLSA-N 1 2 287.367 0.717 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CCC2)nn1 ZINC000880557510 613199720 /nfs/dbraw/zinc/19/97/20/613199720.db2.gz VHEXAWYPCPBOIR-AWEZNQCLSA-N 1 2 287.367 0.717 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326321 613210147 /nfs/dbraw/zinc/21/01/47/613210147.db2.gz FHJCULIWTVJXAV-WQPBDQAGSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326321 613210149 /nfs/dbraw/zinc/21/01/49/613210149.db2.gz FHJCULIWTVJXAV-WQPBDQAGSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)F)CC3)C2)C1 ZINC000972380901 613211191 /nfs/dbraw/zinc/21/11/91/613211191.db2.gz LLDAMROSOUMCQD-AWEZNQCLSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)F)CC3)C2)C1 ZINC000972380901 613211194 /nfs/dbraw/zinc/21/11/94/613211194.db2.gz LLDAMROSOUMCQD-AWEZNQCLSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319923 613213041 /nfs/dbraw/zinc/21/30/41/613213041.db2.gz MYOHDUIDFYXVDP-CZUORRHYSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319923 613213043 /nfs/dbraw/zinc/21/30/43/613213043.db2.gz MYOHDUIDFYXVDP-CZUORRHYSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 ZINC000972262695 613213095 /nfs/dbraw/zinc/21/30/95/613213095.db2.gz YDDHKEHOOVPTKS-MRXNPFEDSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 ZINC000972262695 613213098 /nfs/dbraw/zinc/21/30/98/613213098.db2.gz YDDHKEHOOVPTKS-MRXNPFEDSA-N 1 2 287.363 0.575 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000798295302 613213326 /nfs/dbraw/zinc/21/33/26/613213326.db2.gz RUOXCSKLZFJWGQ-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO C/C(=C/C(=O)n1ncc(C#N)c1N)C[NH+]1CCOCC1 ZINC000912833149 613240967 /nfs/dbraw/zinc/24/09/67/613240967.db2.gz HFSQKZBYIAJECA-POHAHGRESA-N 1 2 275.312 0.256 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504086 613252830 /nfs/dbraw/zinc/25/28/30/613252830.db2.gz DDRHCKQIUNWNFG-SMDDNHRTSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504086 613252833 /nfs/dbraw/zinc/25/28/33/613252833.db2.gz DDRHCKQIUNWNFG-SMDDNHRTSA-N 1 2 287.363 0.757 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC000951126373 613294781 /nfs/dbraw/zinc/29/47/81/613294781.db2.gz QJLPGAMZLHIWDH-CHWSQXEVSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC000957974239 613320048 /nfs/dbraw/zinc/32/00/48/613320048.db2.gz YZLQTWLHRGGXPH-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C#CCNC(=O)CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000815093707 613323924 /nfs/dbraw/zinc/32/39/24/613323924.db2.gz QOKPMBQDNBQAPZ-UHFFFAOYSA-N 1 2 276.311 0.468 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000977356522 613338746 /nfs/dbraw/zinc/33/87/46/613338746.db2.gz QIWRYNUBRDIXPN-SNVBAGLBSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000977356522 613338747 /nfs/dbraw/zinc/33/87/47/613338747.db2.gz QIWRYNUBRDIXPN-SNVBAGLBSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000845596046 613353291 /nfs/dbraw/zinc/35/32/91/613353291.db2.gz NZXHAMIQUDQLCO-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000845596046 613353292 /nfs/dbraw/zinc/35/32/92/613353292.db2.gz NZXHAMIQUDQLCO-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913541723 613362700 /nfs/dbraw/zinc/36/27/00/613362700.db2.gz UEKLAPITQLCANN-BFHYXJOUSA-N 1 2 282.384 0.493 20 30 CCEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913541723 613362701 /nfs/dbraw/zinc/36/27/01/613362701.db2.gz UEKLAPITQLCANN-BFHYXJOUSA-N 1 2 282.384 0.493 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000913506044 613362932 /nfs/dbraw/zinc/36/29/32/613362932.db2.gz AUIJFLUSARNVAX-MGPQQGTHSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000913506044 613362933 /nfs/dbraw/zinc/36/29/33/613362933.db2.gz AUIJFLUSARNVAX-MGPQQGTHSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C(CO)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862860740 613367179 /nfs/dbraw/zinc/36/71/79/613367179.db2.gz NBXJHLLEMFRZHD-UHFFFAOYSA-N 1 2 278.356 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970254218 613372127 /nfs/dbraw/zinc/37/21/27/613372127.db2.gz YMFMKKLWLKFFCE-QMMMGPOBSA-N 1 2 283.763 0.916 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981969504 613373754 /nfs/dbraw/zinc/37/37/54/613373754.db2.gz MSIUQNLUWSGIPV-MNOVXSKESA-N 1 2 285.775 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000981969504 613373755 /nfs/dbraw/zinc/37/37/55/613373755.db2.gz MSIUQNLUWSGIPV-MNOVXSKESA-N 1 2 285.775 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981746434 613373925 /nfs/dbraw/zinc/37/39/25/613373925.db2.gz CWWMUNZSSNQDLK-NSHDSACASA-N 1 2 285.775 0.409 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000981746434 613373926 /nfs/dbraw/zinc/37/39/26/613373926.db2.gz CWWMUNZSSNQDLK-NSHDSACASA-N 1 2 285.775 0.409 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 ZINC000968615047 613375451 /nfs/dbraw/zinc/37/54/51/613375451.db2.gz QXLSQZLGWLMICU-PWSUYJOCSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 ZINC000968615047 613375452 /nfs/dbraw/zinc/37/54/52/613375452.db2.gz QXLSQZLGWLMICU-PWSUYJOCSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974592749 613381054 /nfs/dbraw/zinc/38/10/54/613381054.db2.gz MOBODLDARLUTGK-JTQLQIEISA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974592749 613381055 /nfs/dbraw/zinc/38/10/55/613381055.db2.gz MOBODLDARLUTGK-JTQLQIEISA-N 1 2 298.778 0.252 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)C(=O)OC ZINC000905753834 613405496 /nfs/dbraw/zinc/40/54/96/613405496.db2.gz CCXFWAHCSTUWLN-LLVKDONJSA-N 1 2 292.401 0.365 20 30 CCEDLO C=CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccncc1 ZINC000829690719 613405855 /nfs/dbraw/zinc/40/58/55/613405855.db2.gz ZALLQJLOINUEEG-CYBMUJFWSA-N 1 2 288.351 0.247 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000878433047 613412514 /nfs/dbraw/zinc/41/25/14/613412514.db2.gz QSCBPORBYOOOFZ-NWDGAFQWSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000878433047 613412518 /nfs/dbraw/zinc/41/25/18/613412518.db2.gz QSCBPORBYOOOFZ-NWDGAFQWSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933039325 613413606 /nfs/dbraw/zinc/41/36/06/613413606.db2.gz UKERBIRJEHCWIQ-MJBXVCDLSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[C@H]([NH2+]CCC1(O)CCOCC1)C(=O)OC ZINC000905768450 613419288 /nfs/dbraw/zinc/41/92/88/613419288.db2.gz YMQQKBJOISTVBZ-NSHDSACASA-N 1 2 257.330 0.625 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955112752 613428168 /nfs/dbraw/zinc/42/81/68/613428168.db2.gz CAVSGPZDARFXJO-UHFFFAOYSA-N 1 2 290.367 0.834 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955443881 613428298 /nfs/dbraw/zinc/42/82/98/613428298.db2.gz MHRYZBAOBNVUMX-UHFFFAOYSA-N 1 2 290.367 0.834 20 30 CCEDLO C=CC(C)(C)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000877303982 613447009 /nfs/dbraw/zinc/44/70/09/613447009.db2.gz QKPQDIHGVQNWLB-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913541076 613456588 /nfs/dbraw/zinc/45/65/88/613456588.db2.gz FCAQEBBFJGIUFO-UPJWGTAASA-N 1 2 268.357 0.103 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913541076 613456590 /nfs/dbraw/zinc/45/65/90/613456590.db2.gz FCAQEBBFJGIUFO-UPJWGTAASA-N 1 2 268.357 0.103 20 30 CCEDLO C=CCCC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000928314020 613470619 /nfs/dbraw/zinc/47/06/19/613470619.db2.gz NXEIJOCYQGSLQQ-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765305 613478872 /nfs/dbraw/zinc/47/88/72/613478872.db2.gz QSWOTGAVULSAHR-GFCCVEGCSA-N 1 2 269.370 0.758 20 30 CCEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2[nH]nnc2C)C1 ZINC000951117220 613479265 /nfs/dbraw/zinc/47/92/65/613479265.db2.gz IPYBNGLPIHFTFV-UHFFFAOYSA-N 1 2 263.345 0.836 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875700940 613486764 /nfs/dbraw/zinc/48/67/64/613486764.db2.gz SSYQEHMUOORYQE-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875700940 613486765 /nfs/dbraw/zinc/48/67/65/613486765.db2.gz SSYQEHMUOORYQE-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000941295849 613529696 /nfs/dbraw/zinc/52/96/96/613529696.db2.gz LNOVGCMYHKEGHN-HIFRSBDPSA-N 1 2 275.396 0.494 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC000941571643 613529700 /nfs/dbraw/zinc/52/97/00/613529700.db2.gz CFUHUMCNPLXNMB-GDBMZVCRSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC000948703619 613563046 /nfs/dbraw/zinc/56/30/46/613563046.db2.gz SRLIBWLDQKOUPS-CABCVRRESA-N 1 2 294.395 0.596 20 30 CCEDLO C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823506708 613675810 /nfs/dbraw/zinc/67/58/10/613675810.db2.gz KQYSFXUSJAOVGW-LBPRGKRZSA-N 1 2 253.346 0.979 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC000949543607 613709450 /nfs/dbraw/zinc/70/94/50/613709450.db2.gz SKEVOFFYZLMSQK-UHFFFAOYSA-N 1 2 276.384 0.910 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000948939261 613711709 /nfs/dbraw/zinc/71/17/09/613711709.db2.gz ITEWVJAYDXGTNL-CYBMUJFWSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC000956951382 613712158 /nfs/dbraw/zinc/71/21/58/613712158.db2.gz INKJJFAPFSQHGG-CYBMUJFWSA-N 1 2 276.384 0.929 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)CC1 ZINC000957888368 613712447 /nfs/dbraw/zinc/71/24/47/613712447.db2.gz OVSAVYXXCUZKHR-HNNXBMFYSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC000957954388 613712465 /nfs/dbraw/zinc/71/24/65/613712465.db2.gz HVSNXXZNJZRANV-ZDUSSCGKSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H]2C2OCCO2)C1=O ZINC000902623976 613720267 /nfs/dbraw/zinc/72/02/67/613720267.db2.gz AGQPYPCDVIDZKW-GFCCVEGCSA-N 1 2 281.356 0.705 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H]2C2OCCO2)C1=O ZINC000902623976 613720269 /nfs/dbraw/zinc/72/02/69/613720269.db2.gz AGQPYPCDVIDZKW-GFCCVEGCSA-N 1 2 281.356 0.705 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373201 613725569 /nfs/dbraw/zinc/72/55/69/613725569.db2.gz JJHAOGIXKIMORM-MRXNPFEDSA-N 1 2 294.395 0.781 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373201 613725571 /nfs/dbraw/zinc/72/55/71/613725571.db2.gz JJHAOGIXKIMORM-MRXNPFEDSA-N 1 2 294.395 0.781 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000847099694 613737702 /nfs/dbraw/zinc/73/77/02/613737702.db2.gz ZZCQGIAXCGPDIL-SNVBAGLBSA-N 1 2 262.313 0.198 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(N)nn2)C1=O ZINC000904343502 613777272 /nfs/dbraw/zinc/77/72/72/613777272.db2.gz UQSVXQBGMJMMFX-NSHDSACASA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(N)nn2)C1=O ZINC000904343502 613777273 /nfs/dbraw/zinc/77/72/73/613777273.db2.gz UQSVXQBGMJMMFX-NSHDSACASA-N 1 2 261.329 0.278 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C(C)(C)C1 ZINC000974627721 613806042 /nfs/dbraw/zinc/80/60/42/613806042.db2.gz CDFOTNUBLSLTGD-LLVKDONJSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C(C)(C)C1 ZINC000974627721 613806044 /nfs/dbraw/zinc/80/60/44/613806044.db2.gz CDFOTNUBLSLTGD-LLVKDONJSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000975009344 613829570 /nfs/dbraw/zinc/82/95/70/613829570.db2.gz HNDJFAKLKPWGEG-NSHDSACASA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000975009344 613829571 /nfs/dbraw/zinc/82/95/71/613829571.db2.gz HNDJFAKLKPWGEG-NSHDSACASA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880304632 613845816 /nfs/dbraw/zinc/84/58/16/613845816.db2.gz PMDKXSCFXWINQX-SNVBAGLBSA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880304632 613845817 /nfs/dbraw/zinc/84/58/17/613845817.db2.gz PMDKXSCFXWINQX-SNVBAGLBSA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210154 613857247 /nfs/dbraw/zinc/85/72/47/613857247.db2.gz JLHHGVQFNCJQPQ-AWEZNQCLSA-N 1 2 299.440 0.252 20 30 CCEDLO C=CCNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210154 613857249 /nfs/dbraw/zinc/85/72/49/613857249.db2.gz JLHHGVQFNCJQPQ-AWEZNQCLSA-N 1 2 299.440 0.252 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCOC)C1CCCC1 ZINC000884114967 613877332 /nfs/dbraw/zinc/87/73/32/613877332.db2.gz FPCXGERYIYLCJO-ZDUSSCGKSA-N 1 2 298.383 0.851 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@@H](C)CO)CC1 ZINC000884386804 613877556 /nfs/dbraw/zinc/87/75/56/613877556.db2.gz APAURZMSSXCQDH-AAEUAGOBSA-N 1 2 298.383 0.300 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](OC)C(C)C ZINC000884165087 613878366 /nfs/dbraw/zinc/87/83/66/613878366.db2.gz YUCFTVUDERRJCW-QWRGUYRKSA-N 1 2 272.345 0.220 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000884431006 613878696 /nfs/dbraw/zinc/87/86/96/613878696.db2.gz IHYMXPWADJEPSU-BFVZDQMLSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000884313447 613878712 /nfs/dbraw/zinc/87/87/12/613878712.db2.gz FCTGQMYHIKVGRO-DCAQKATOSA-N 1 2 270.329 0.117 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)c(C)nn1C ZINC000884175318 613878991 /nfs/dbraw/zinc/87/89/91/613878991.db2.gz PJQQOZIANBLIDQ-JTQLQIEISA-N 1 2 280.328 0.422 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccnn1C(C)C ZINC000884054252 613879014 /nfs/dbraw/zinc/87/90/14/613879014.db2.gz WSKAGTQMXXNIEQ-JTQLQIEISA-N 1 2 280.328 0.849 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461695 614326521 /nfs/dbraw/zinc/32/65/21/614326521.db2.gz YDJVLCPSVYFLNB-ZDUSSCGKSA-N 1 2 260.341 0.552 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886012443 614502102 /nfs/dbraw/zinc/50/21/02/614502102.db2.gz HZKJYWGMGKNKPV-LLVKDONJSA-N 1 2 265.357 0.642 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886012443 614502104 /nfs/dbraw/zinc/50/21/04/614502104.db2.gz HZKJYWGMGKNKPV-LLVKDONJSA-N 1 2 265.357 0.642 20 30 CCEDLO CCC[N@H+](C[C@H](O)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000929271233 614585207 /nfs/dbraw/zinc/58/52/07/614585207.db2.gz RAFSNDBWDZPFNO-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CCC[N@@H+](C[C@H](O)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000929271233 614585209 /nfs/dbraw/zinc/58/52/09/614585209.db2.gz RAFSNDBWDZPFNO-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CCC[N@H+](Cc1cncc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000930347221 614586325 /nfs/dbraw/zinc/58/63/25/614586325.db2.gz OOBKZWVUDAIHRA-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1cncc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000930347221 614586327 /nfs/dbraw/zinc/58/63/27/614586327.db2.gz OOBKZWVUDAIHRA-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000865151768 614718939 /nfs/dbraw/zinc/71/89/39/614718939.db2.gz AYASFZLSGBPWDK-OAHLLOKOSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000865151768 614718942 /nfs/dbraw/zinc/71/89/42/614718942.db2.gz AYASFZLSGBPWDK-OAHLLOKOSA-N 1 2 295.383 0.534 20 30 CCEDLO CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000956606015 614719718 /nfs/dbraw/zinc/71/97/18/614719718.db2.gz PCTROHIWBBJQJQ-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCOC)C1 ZINC000949891302 614724529 /nfs/dbraw/zinc/72/45/29/614724529.db2.gz MNABVZYEKCVHNV-UHFFFAOYSA-N 1 2 276.340 0.679 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931203637 615064534 /nfs/dbraw/zinc/06/45/34/615064534.db2.gz VXXHACIYDAYNKP-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931203637 615064535 /nfs/dbraw/zinc/06/45/35/615064535.db2.gz VXXHACIYDAYNKP-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC12COC2 ZINC000880004738 615305742 /nfs/dbraw/zinc/30/57/42/615305742.db2.gz CLPFTKWDCKMFMF-OLZOCXBDSA-N 1 2 291.351 0.941 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC12COC2 ZINC000880004738 615305744 /nfs/dbraw/zinc/30/57/44/615305744.db2.gz CLPFTKWDCKMFMF-OLZOCXBDSA-N 1 2 291.351 0.941 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801921777 615539864 /nfs/dbraw/zinc/53/98/64/615539864.db2.gz LWCLPETXCLOFHA-GHMZBOCLSA-N 1 2 262.375 0.670 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801921777 615539865 /nfs/dbraw/zinc/53/98/65/615539865.db2.gz LWCLPETXCLOFHA-GHMZBOCLSA-N 1 2 262.375 0.670 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)cnn1 ZINC000872773100 615569625 /nfs/dbraw/zinc/56/96/25/615569625.db2.gz FOXFWNUYYVGBTC-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1cc(C#N)cnn1 ZINC000872773100 615569626 /nfs/dbraw/zinc/56/96/26/615569626.db2.gz FOXFWNUYYVGBTC-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CCn1ncn(N=Cc2cccc3[nH+]ccn32)c1=O ZINC000814234681 615729486 /nfs/dbraw/zinc/72/94/86/615729486.db2.gz HNIJCWOUNUYALN-UHFFFAOYSA-N 1 2 256.269 0.595 20 30 CCEDLO CCc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1 ZINC000905973911 615818545 /nfs/dbraw/zinc/81/85/45/615818545.db2.gz PGMWNTDFUPGHJX-SECBINFHSA-N 1 2 270.358 0.930 20 30 CCEDLO CCc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1 ZINC000905973911 615818546 /nfs/dbraw/zinc/81/85/46/615818546.db2.gz PGMWNTDFUPGHJX-SECBINFHSA-N 1 2 270.358 0.930 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000913520128 615860924 /nfs/dbraw/zinc/86/09/24/615860924.db2.gz DVINFPGUIQWJPS-UHFFFAOYSA-N 1 2 268.263 0.965 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000875553594 615925618 /nfs/dbraw/zinc/92/56/18/615925618.db2.gz LOFVEPMYLMXUFB-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000875553594 615925621 /nfs/dbraw/zinc/92/56/21/615925621.db2.gz LOFVEPMYLMXUFB-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CN1C(=O)CN(N=C2CCC[N@@H+]3CCSC[C@@H]23)C1=O ZINC000872360938 616136480 /nfs/dbraw/zinc/13/64/80/616136480.db2.gz IVZIDHDVEYLGKQ-JTQLQIEISA-N 1 2 282.369 0.448 20 30 CCEDLO CN1C(=O)CN(N=C2CCC[N@H+]3CCSC[C@@H]23)C1=O ZINC000872360938 616136481 /nfs/dbraw/zinc/13/64/81/616136481.db2.gz IVZIDHDVEYLGKQ-JTQLQIEISA-N 1 2 282.369 0.448 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#CC1CC1 ZINC000862643540 616160150 /nfs/dbraw/zinc/16/01/50/616160150.db2.gz VUQTVGAYDDEJEJ-MRXNPFEDSA-N 1 2 292.379 0.132 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#CC1CC1 ZINC000862643540 616160152 /nfs/dbraw/zinc/16/01/52/616160152.db2.gz VUQTVGAYDDEJEJ-MRXNPFEDSA-N 1 2 292.379 0.132 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1CO ZINC000913544682 616220843 /nfs/dbraw/zinc/22/08/43/616220843.db2.gz KCGGMVMGCUJZLC-HNNXBMFYSA-N 1 2 299.374 0.725 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1CO ZINC000913544682 616220844 /nfs/dbraw/zinc/22/08/44/616220844.db2.gz KCGGMVMGCUJZLC-HNNXBMFYSA-N 1 2 299.374 0.725 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1CO ZINC000894760609 616250409 /nfs/dbraw/zinc/25/04/09/616250409.db2.gz KYUFIPSJOTXKEE-CYBMUJFWSA-N 1 2 261.325 0.793 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1CO ZINC000894760609 616250410 /nfs/dbraw/zinc/25/04/10/616250410.db2.gz KYUFIPSJOTXKEE-CYBMUJFWSA-N 1 2 261.325 0.793 20 30 CCEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCCC1 ZINC000838863962 616992894 /nfs/dbraw/zinc/99/28/94/616992894.db2.gz DUGQOAOFZKFPAR-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCCC1 ZINC000838863962 616992897 /nfs/dbraw/zinc/99/28/97/616992897.db2.gz DUGQOAOFZKFPAR-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO CON=CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846095317 617103455 /nfs/dbraw/zinc/10/34/55/617103455.db2.gz MAMXTNOEYSJEEN-UHFFFAOYSA-N 1 2 290.327 0.278 20 30 CCEDLO CON=CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000809643692 617105546 /nfs/dbraw/zinc/10/55/46/617105546.db2.gz WYWPJVDALHIIHC-UHFFFAOYSA-N 1 2 251.286 0.955 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001026430857 625447093 /nfs/dbraw/zinc/44/70/93/625447093.db2.gz BRMNAXKORSUEQI-JHJVBQTASA-N 1 2 273.340 0.233 20 30 CCEDLO O=C(NCC#CCO)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000923776616 623339119 /nfs/dbraw/zinc/33/91/19/623339119.db2.gz JNADFLKKFDDZHY-UHFFFAOYSA-N 1 2 262.313 0.294 20 30 CCEDLO O=C(NCC#CCO)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000923776616 623339129 /nfs/dbraw/zinc/33/91/29/623339129.db2.gz JNADFLKKFDDZHY-UHFFFAOYSA-N 1 2 262.313 0.294 20 30 CCEDLO NC(=NOCCCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161455473 623583004 /nfs/dbraw/zinc/58/30/04/623583004.db2.gz YADWIABEVDDUAG-AWEZNQCLSA-N 1 2 293.367 0.559 20 30 CCEDLO NC(=NOCCCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161455473 623583012 /nfs/dbraw/zinc/58/30/12/623583012.db2.gz YADWIABEVDDUAG-AWEZNQCLSA-N 1 2 293.367 0.559 20 30 CCEDLO COC1C[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000311582910 623765539 /nfs/dbraw/zinc/76/55/39/623765539.db2.gz IMNTVGKGUMTTMZ-LBPRGKRZSA-N 1 2 262.309 0.629 20 30 CCEDLO O=C(CCn1cc[nH+]c1)NCC#C[C@@H]1CCCCO1 ZINC000891127694 624732058 /nfs/dbraw/zinc/73/20/58/624732058.db2.gz ZQHQAPGDJXGNBN-ZDUSSCGKSA-N 1 2 261.325 0.962 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021755528 624820420 /nfs/dbraw/zinc/82/04/20/624820420.db2.gz XIJJRAGLPRNBIH-ZIAGYGMSSA-N 1 2 287.367 0.720 20 30 CCEDLO Cc1[nH]c(CN2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[nH+]c1C ZINC000933114231 624833907 /nfs/dbraw/zinc/83/39/07/624833907.db2.gz HWRKXFIJTZCRKH-DGCLKSJQSA-N 1 2 294.380 0.397 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423944 624976124 /nfs/dbraw/zinc/97/61/24/624976124.db2.gz NYZIGIFYFSBDGH-PHIMTYICSA-N 1 2 269.308 0.708 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934025276 625002595 /nfs/dbraw/zinc/00/25/95/625002595.db2.gz DJEBMKOIBSTYBH-CYBMUJFWSA-N 1 2 259.309 0.241 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934025276 625002598 /nfs/dbraw/zinc/00/25/98/625002598.db2.gz DJEBMKOIBSTYBH-CYBMUJFWSA-N 1 2 259.309 0.241 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978402461 630806667 /nfs/dbraw/zinc/80/66/67/630806667.db2.gz DSUVWVAQEQJQTE-SYQHCUMBSA-N 1 2 299.378 0.263 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981486404 631283369 /nfs/dbraw/zinc/28/33/69/631283369.db2.gz NBIPEADTUYWPNX-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171116 631381295 /nfs/dbraw/zinc/38/12/95/631381295.db2.gz WDKPRZBBUXTKFN-UHFFFAOYSA-N 1 2 273.340 0.331 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC000968626833 650023971 /nfs/dbraw/zinc/02/39/71/650023971.db2.gz FEHISPIWEMTWCY-GFCCVEGCSA-N 1 2 274.324 0.482 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cn3cccc(F)c3n2)CCCN1O ZINC000895163055 631997430 /nfs/dbraw/zinc/99/74/30/631997430.db2.gz QGFSCAJDXVVYMR-LLVKDONJSA-N 1 2 278.287 0.943 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007454698 650078697 /nfs/dbraw/zinc/07/86/97/650078697.db2.gz YSNRXZCEPFFOKK-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007454698 650078699 /nfs/dbraw/zinc/07/86/99/650078699.db2.gz YSNRXZCEPFFOKK-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985563142 632556627 /nfs/dbraw/zinc/55/66/27/632556627.db2.gz WEUCXUMTXOCOAG-UHFFFAOYSA-N 1 2 275.356 0.720 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008149636 650103148 /nfs/dbraw/zinc/10/31/48/650103148.db2.gz RVVXTNALPSZUOQ-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008149636 650103149 /nfs/dbraw/zinc/10/31/49/650103149.db2.gz RVVXTNALPSZUOQ-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C#N)s1 ZINC000898887324 633682563 /nfs/dbraw/zinc/68/25/63/633682563.db2.gz KTGWGXUSAVWQET-VIFPVBQESA-N 1 2 276.321 0.817 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(C#N)cs1 ZINC000898886523 633683020 /nfs/dbraw/zinc/68/30/20/633683020.db2.gz FISGYXZDCVZJPZ-SECBINFHSA-N 1 2 276.321 0.817 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(F)F)C2)C1=O ZINC001009818259 650162671 /nfs/dbraw/zinc/16/26/71/650162671.db2.gz XZGZWRMKHDBDQL-UWVGGRQHSA-N 1 2 287.310 0.229 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(F)F)C2)C1=O ZINC001009818259 650162673 /nfs/dbraw/zinc/16/26/73/650162673.db2.gz XZGZWRMKHDBDQL-UWVGGRQHSA-N 1 2 287.310 0.229 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010364165 650206840 /nfs/dbraw/zinc/20/68/40/650206840.db2.gz IFTSXZFZMZPTFI-LBPRGKRZSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010364165 650206844 /nfs/dbraw/zinc/20/68/44/650206844.db2.gz IFTSXZFZMZPTFI-LBPRGKRZSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377080 650211383 /nfs/dbraw/zinc/21/13/83/650211383.db2.gz AIYRFNYKINTYGR-NXEZZACHSA-N 1 2 271.748 0.208 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377080 650211384 /nfs/dbraw/zinc/21/13/84/650211384.db2.gz AIYRFNYKINTYGR-NXEZZACHSA-N 1 2 271.748 0.208 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC000913437235 636807814 /nfs/dbraw/zinc/80/78/14/636807814.db2.gz KHCMNAKQSQPIBE-AWEZNQCLSA-N 1 2 296.334 0.392 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)CCCC#N)CC[NH2+]2)cn1 ZINC000913459423 636813560 /nfs/dbraw/zinc/81/35/60/636813560.db2.gz AWYYQSUPKGFPLJ-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172484548 637175909 /nfs/dbraw/zinc/17/59/09/637175909.db2.gz WOISAWCSTMBCCF-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172484548 637175915 /nfs/dbraw/zinc/17/59/15/637175915.db2.gz WOISAWCSTMBCCF-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992150565 637323836 /nfs/dbraw/zinc/32/38/36/637323836.db2.gz HZYGODKXEFUWEJ-SMDDNHRTSA-N 1 2 276.315 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992150565 637323843 /nfs/dbraw/zinc/32/38/43/637323843.db2.gz HZYGODKXEFUWEJ-SMDDNHRTSA-N 1 2 276.315 0.909 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@@H]1N(CC#N)CC2 ZINC000992449671 637418349 /nfs/dbraw/zinc/41/83/49/637418349.db2.gz SGLGIWLXILONLK-DZGCQCFKSA-N 1 2 287.367 0.897 20 30 CCEDLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000913900435 637463308 /nfs/dbraw/zinc/46/33/08/637463308.db2.gz VLQBKEAPGLIFMH-BETUJISGSA-N 1 2 290.371 0.511 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NCC#N ZINC000939642609 638385171 /nfs/dbraw/zinc/38/51/71/638385171.db2.gz LMCWGTGAWAGWCR-WCQYABFASA-N 1 2 275.356 0.313 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996071623 638808564 /nfs/dbraw/zinc/80/85/64/638808564.db2.gz CWVPMPICXIDUKW-GFCCVEGCSA-N 1 2 289.383 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710399 650481308 /nfs/dbraw/zinc/48/13/08/650481308.db2.gz GOVDQWZTEBKSMT-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710399 650481310 /nfs/dbraw/zinc/48/13/10/650481310.db2.gz GOVDQWZTEBKSMT-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014756005 650485677 /nfs/dbraw/zinc/48/56/77/650485677.db2.gz DZMDCXALYFEYNR-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014756005 650485679 /nfs/dbraw/zinc/48/56/79/650485679.db2.gz DZMDCXALYFEYNR-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014938296 650506206 /nfs/dbraw/zinc/50/62/06/650506206.db2.gz RQKAAJBUEIEODG-NSHDSACASA-N 1 2 269.308 0.891 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(CC#N)CC1 ZINC001003970511 639659354 /nfs/dbraw/zinc/65/93/54/639659354.db2.gz IMCMJASPKQXOAI-UHFFFAOYSA-N 1 2 261.329 0.067 20 30 CCEDLO C#CC[NH+]1CCC(N(C)C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001005942259 640039771 /nfs/dbraw/zinc/03/97/71/640039771.db2.gz MEZMNUBPJUZUQS-UHFFFAOYSA-N 1 2 276.340 0.295 20 30 CCEDLO N#CCN1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016993769 640223396 /nfs/dbraw/zinc/22/33/96/640223396.db2.gz FTFICRUWTSHWDZ-LBPRGKRZSA-N 1 2 273.340 0.377 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)CCO)C1 ZINC000121354892 640289678 /nfs/dbraw/zinc/28/96/78/640289678.db2.gz IQQOLILEHNLWOI-NXEZZACHSA-N 1 2 257.334 0.162 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015551321 650579919 /nfs/dbraw/zinc/57/99/19/650579919.db2.gz UIHFLCANTIYTKH-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015551321 650579923 /nfs/dbraw/zinc/57/99/23/650579923.db2.gz UIHFLCANTIYTKH-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599886 650588466 /nfs/dbraw/zinc/58/84/66/650588466.db2.gz WUJSKBMENFJPDD-CABCVRRESA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599886 650588467 /nfs/dbraw/zinc/58/84/67/650588467.db2.gz WUJSKBMENFJPDD-CABCVRRESA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599889 650588650 /nfs/dbraw/zinc/58/86/50/650588650.db2.gz WUJSKBMENFJPDD-LSDHHAIUSA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599889 650588652 /nfs/dbraw/zinc/58/86/52/650588652.db2.gz WUJSKBMENFJPDD-LSDHHAIUSA-N 1 2 293.411 0.309 20 30 CCEDLO Cc1nc[nH]c1C=NNCCC[NH+]1CCOCC1 ZINC000799490381 640578005 /nfs/dbraw/zinc/57/80/05/640578005.db2.gz AUSBRXPNUVTPGP-UHFFFAOYSA-N 1 2 251.334 0.364 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015652492 650601129 /nfs/dbraw/zinc/60/11/29/650601129.db2.gz GPECQFDFDUBOMI-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015652492 650601130 /nfs/dbraw/zinc/60/11/30/650601130.db2.gz GPECQFDFDUBOMI-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681520 650608201 /nfs/dbraw/zinc/60/82/01/650608201.db2.gz KKOJHRWSWUNGHD-NSHDSACASA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681520 650608202 /nfs/dbraw/zinc/60/82/02/650608202.db2.gz KKOJHRWSWUNGHD-NSHDSACASA-N 1 2 295.770 0.942 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(CC#N)C1 ZINC001015723637 650616661 /nfs/dbraw/zinc/61/66/61/650616661.db2.gz TXXCPRJZCYRBGP-QJPTWQEYSA-N 1 2 273.340 0.238 20 30 CCEDLO N#CCCOCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000815069499 641089693 /nfs/dbraw/zinc/08/96/93/641089693.db2.gz BLOGOSZEMNCHKX-LBPRGKRZSA-N 1 2 272.370 0.568 20 30 CCEDLO N#CCCOCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000815069499 641089694 /nfs/dbraw/zinc/08/96/94/641089694.db2.gz BLOGOSZEMNCHKX-LBPRGKRZSA-N 1 2 272.370 0.568 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000824278199 641815133 /nfs/dbraw/zinc/81/51/33/641815133.db2.gz BKQVZQLMKJWUPF-FRRDWIJNSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000824278199 641815136 /nfs/dbraw/zinc/81/51/36/641815136.db2.gz BKQVZQLMKJWUPF-FRRDWIJNSA-N 1 2 280.372 0.699 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000121360807 641992915 /nfs/dbraw/zinc/99/29/15/641992915.db2.gz MDNORJQXFQRMOT-NEPJUHHUSA-N 1 2 283.372 0.839 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830239916 642247498 /nfs/dbraw/zinc/24/74/98/642247498.db2.gz AWVCFKSKBXNZKG-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830239916 642247510 /nfs/dbraw/zinc/24/75/10/642247510.db2.gz AWVCFKSKBXNZKG-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001017393367 650798934 /nfs/dbraw/zinc/79/89/34/650798934.db2.gz QREUJVKMRMIYDE-UPJWGTAASA-N 1 2 250.342 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001017393367 650798938 /nfs/dbraw/zinc/79/89/38/650798938.db2.gz QREUJVKMRMIYDE-UPJWGTAASA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccnn1C ZINC001017592439 650812673 /nfs/dbraw/zinc/81/26/73/650812673.db2.gz PHOGXBUVYZQYLC-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccnn1C ZINC001017592439 650812675 /nfs/dbraw/zinc/81/26/75/650812675.db2.gz PHOGXBUVYZQYLC-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc[nH]c1=O ZINC001017644454 650816247 /nfs/dbraw/zinc/81/62/47/650816247.db2.gz GFWJKUKKBAWDJK-PHIMTYICSA-N 1 2 272.308 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc[nH]c1=O ZINC001017644454 650816248 /nfs/dbraw/zinc/81/62/48/650816248.db2.gz GFWJKUKKBAWDJK-PHIMTYICSA-N 1 2 272.308 0.104 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)n1 ZINC001018063925 650841722 /nfs/dbraw/zinc/84/17/22/650841722.db2.gz UFSMXMWDLCTVNT-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)n1 ZINC001018063925 650841726 /nfs/dbraw/zinc/84/17/26/650841726.db2.gz UFSMXMWDLCTVNT-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO Cn1nnc2cc(C[NH+]3CCN(C(=O)CC#N)CC3)ccc21 ZINC000846954343 643474471 /nfs/dbraw/zinc/47/44/71/643474471.db2.gz IPAMTNSRLJYAIX-UHFFFAOYSA-N 1 2 298.350 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001018290057 650852012 /nfs/dbraw/zinc/85/20/12/650852012.db2.gz UWWAZSRXPLHILK-AEGPPILISA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001018290057 650852013 /nfs/dbraw/zinc/85/20/13/650852013.db2.gz UWWAZSRXPLHILK-AEGPPILISA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001018356216 650854833 /nfs/dbraw/zinc/85/48/33/650854833.db2.gz UCHMMOCOPZJFOX-AEGPPILISA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001018356216 650854836 /nfs/dbraw/zinc/85/48/36/650854836.db2.gz UCHMMOCOPZJFOX-AEGPPILISA-N 1 2 286.379 0.832 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC1(C#N)CCOCC1 ZINC000850299239 643793022 /nfs/dbraw/zinc/79/30/22/643793022.db2.gz YXELKGJDLVVEPJ-ZDUSSCGKSA-N 1 2 296.367 0.961 20 30 CCEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000853369525 644102919 /nfs/dbraw/zinc/10/29/19/644102919.db2.gz ZGWJNQZHJGRYCM-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C#N)CCCOC1 ZINC000869915859 645935076 /nfs/dbraw/zinc/93/50/76/645935076.db2.gz QENISJHBRKFYPX-ZDUSSCGKSA-N 1 2 263.297 0.826 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncncc1C#N ZINC000872773449 646321381 /nfs/dbraw/zinc/32/13/81/646321381.db2.gz LFWJFZPAXFSCTM-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1ncncc1C#N ZINC000872773449 646321386 /nfs/dbraw/zinc/32/13/86/646321386.db2.gz LFWJFZPAXFSCTM-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000881908123 647350818 /nfs/dbraw/zinc/35/08/18/647350818.db2.gz MYEOUWHANLLHPD-LLVKDONJSA-N 1 2 274.372 0.705 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886160138 647910817 /nfs/dbraw/zinc/91/08/17/647910817.db2.gz LCUVVXHSNSREBS-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886160138 647910822 /nfs/dbraw/zinc/91/08/22/647910822.db2.gz LCUVVXHSNSREBS-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO N#Cc1csc(CNC(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC000887979163 648179297 /nfs/dbraw/zinc/17/92/97/648179297.db2.gz VWCXTLCWFPMMCY-OWOJBTEDSA-N 1 2 292.364 0.519 20 30 CCEDLO C[C@H](c1cnnn1C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000926820096 648529978 /nfs/dbraw/zinc/52/99/78/648529978.db2.gz ALVIAIMFJUXBIA-GFCCVEGCSA-N 1 2 297.366 0.965 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000932151553 649053365 /nfs/dbraw/zinc/05/33/65/649053365.db2.gz ZDZTXOREUFVJEF-YNEHKIRRSA-N 1 2 254.330 0.124 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000932151553 649053369 /nfs/dbraw/zinc/05/33/69/649053369.db2.gz ZDZTXOREUFVJEF-YNEHKIRRSA-N 1 2 254.330 0.124 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000932152242 649054312 /nfs/dbraw/zinc/05/43/12/649054312.db2.gz OOFOCKUTYMVWLO-OLZOCXBDSA-N 1 2 268.357 0.514 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000932152242 649054314 /nfs/dbraw/zinc/05/43/14/649054314.db2.gz OOFOCKUTYMVWLO-OLZOCXBDSA-N 1 2 268.357 0.514 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154537 649054322 /nfs/dbraw/zinc/05/43/22/649054322.db2.gz KGFGNJPYRLBMPI-IUODEOHRSA-N 1 2 273.336 0.595 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154537 649054323 /nfs/dbraw/zinc/05/43/23/649054323.db2.gz KGFGNJPYRLBMPI-IUODEOHRSA-N 1 2 273.336 0.595 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]2CO)CCCCC1 ZINC000934027934 649154083 /nfs/dbraw/zinc/15/40/83/649154083.db2.gz WAJCZHNKUCVGBO-NSHDSACASA-N 1 2 251.330 0.396 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]2CO)CCCCC1 ZINC000934027934 649154086 /nfs/dbraw/zinc/15/40/86/649154086.db2.gz WAJCZHNKUCVGBO-NSHDSACASA-N 1 2 251.330 0.396 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)CCOC ZINC000934511414 649177535 /nfs/dbraw/zinc/17/75/35/649177535.db2.gz NCSJUGJWJCAMHO-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)CCOC ZINC000934511414 649177538 /nfs/dbraw/zinc/17/75/38/649177538.db2.gz NCSJUGJWJCAMHO-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000934511617 649177548 /nfs/dbraw/zinc/17/75/48/649177548.db2.gz QMXTVJPZAOTMCZ-ZDUSSCGKSA-N 1 2 277.368 0.213 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000934511617 649177551 /nfs/dbraw/zinc/17/75/51/649177551.db2.gz QMXTVJPZAOTMCZ-ZDUSSCGKSA-N 1 2 277.368 0.213 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951872632 649568694 /nfs/dbraw/zinc/56/86/94/649568694.db2.gz NDPDBJBNZCGVGP-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO COc1ccc(C[NH2+]Cc2nncn2C)cc1C#N ZINC000087823810 649633870 /nfs/dbraw/zinc/63/38/70/649633870.db2.gz UROONKBTMAIAJU-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017389692 649830216 /nfs/dbraw/zinc/83/02/16/649830216.db2.gz WNYOGKCCZAUHGH-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017389692 649830218 /nfs/dbraw/zinc/83/02/18/649830218.db2.gz WNYOGKCCZAUHGH-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000305059154 649840921 /nfs/dbraw/zinc/84/09/21/649840921.db2.gz DVSKBPAXTYSQNJ-FZMZJTMJSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000305059154 649840923 /nfs/dbraw/zinc/84/09/23/649840923.db2.gz DVSKBPAXTYSQNJ-FZMZJTMJSA-N 1 2 296.392 0.957 20 30 CCEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ncn1 ZINC001230023646 805576579 /nfs/dbraw/zinc/57/65/79/805576579.db2.gz AMRYECOVGHIBJP-UHSPONAGSA-N 1 2 263.297 0.476 20 30 CCEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ncn1 ZINC001230023646 805576585 /nfs/dbraw/zinc/57/65/85/805576585.db2.gz AMRYECOVGHIBJP-UHSPONAGSA-N 1 2 263.297 0.476 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230585634 805629546 /nfs/dbraw/zinc/62/95/46/805629546.db2.gz VJKNRZFIZOFVLO-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230585634 805629554 /nfs/dbraw/zinc/62/95/54/805629554.db2.gz VJKNRZFIZOFVLO-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CCc2ccccc2)CC1 ZINC001266297073 790448369 /nfs/dbraw/zinc/44/83/69/790448369.db2.gz JKIMYAOHAIBWMB-UHFFFAOYSA-N 1 2 299.418 0.986 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1nccnc1C#N ZINC001104226389 790452921 /nfs/dbraw/zinc/45/29/21/790452921.db2.gz PXQNPPJOJPMJNV-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)CC(=O)NCC#N ZINC001266323357 790507929 /nfs/dbraw/zinc/50/79/29/790507929.db2.gz AKHNGLQAHNXMNU-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)CC(=O)NCC#N ZINC001266323357 790507938 /nfs/dbraw/zinc/50/79/38/790507938.db2.gz AKHNGLQAHNXMNU-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230650998 805641192 /nfs/dbraw/zinc/64/11/92/805641192.db2.gz JRYQXNUBBPSGNM-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230650998 805641196 /nfs/dbraw/zinc/64/11/96/805641196.db2.gz JRYQXNUBBPSGNM-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC001266475720 790769611 /nfs/dbraw/zinc/76/96/11/790769611.db2.gz KDJDIXQOOXLDBQ-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC001266475720 790769620 /nfs/dbraw/zinc/76/96/20/790769620.db2.gz KDJDIXQOOXLDBQ-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230714517 805655941 /nfs/dbraw/zinc/65/59/41/805655941.db2.gz DUELNZLVDXFTEV-AWEZNQCLSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230714517 805655943 /nfs/dbraw/zinc/65/59/43/805655943.db2.gz DUELNZLVDXFTEV-AWEZNQCLSA-N 1 2 290.367 0.216 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798377 805668810 /nfs/dbraw/zinc/66/88/10/805668810.db2.gz RZZXKIBMAXXRQF-KGLIPLIRSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798377 805668816 /nfs/dbraw/zinc/66/88/16/805668816.db2.gz RZZXKIBMAXXRQF-KGLIPLIRSA-N 1 2 293.411 0.962 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001231062403 805719207 /nfs/dbraw/zinc/71/92/07/805719207.db2.gz PNJNXKUYPATPRD-KGLIPLIRSA-N 1 2 280.368 0.205 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001231062403 805719213 /nfs/dbraw/zinc/71/92/13/805719213.db2.gz PNJNXKUYPATPRD-KGLIPLIRSA-N 1 2 280.368 0.205 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCOCC ZINC001231103513 805729157 /nfs/dbraw/zinc/72/91/57/805729157.db2.gz PROLKCRJTCVFPI-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCOCC ZINC001231103513 805729158 /nfs/dbraw/zinc/72/91/58/805729158.db2.gz PROLKCRJTCVFPI-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001231122943 805735346 /nfs/dbraw/zinc/73/53/46/805735346.db2.gz QCXDQJHAJGJETR-NWDGAFQWSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001231122943 805735352 /nfs/dbraw/zinc/73/53/52/805735352.db2.gz QCXDQJHAJGJETR-NWDGAFQWSA-N 1 2 265.357 0.374 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC001231208315 805751688 /nfs/dbraw/zinc/75/16/88/805751688.db2.gz HJZGSFVLPKTSGR-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC001231208315 805751696 /nfs/dbraw/zinc/75/16/96/805751696.db2.gz HJZGSFVLPKTSGR-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231292501 805769599 /nfs/dbraw/zinc/76/95/99/805769599.db2.gz CZRPCXHZVZPFPC-AAEUAGOBSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231292501 805769602 /nfs/dbraw/zinc/76/96/02/805769602.db2.gz CZRPCXHZVZPFPC-AAEUAGOBSA-N 1 2 287.367 0.977 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC(N)=O ZINC001231398475 805788676 /nfs/dbraw/zinc/78/86/76/805788676.db2.gz IBDCUWAAHYHPOB-OAHLLOKOSA-N 1 2 299.374 0.446 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC(N)=O ZINC001231398475 805788678 /nfs/dbraw/zinc/78/86/78/805788678.db2.gz IBDCUWAAHYHPOB-OAHLLOKOSA-N 1 2 299.374 0.446 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001277570300 805858141 /nfs/dbraw/zinc/85/81/41/805858141.db2.gz DDXDHRLDXUDMDB-NEPJUHHUSA-N 1 2 270.373 0.491 20 30 CCEDLO N#Cc1ccc(CC[N@H+]2CCc3c([nH]nc3C(N)=O)C2)cc1 ZINC001277643482 805918471 /nfs/dbraw/zinc/91/84/71/805918471.db2.gz OEHCIGUTINFGHW-UHFFFAOYSA-N 1 2 295.346 0.981 20 30 CCEDLO N#Cc1ccc(CC[N@@H+]2CCc3c([nH]nc3C(N)=O)C2)cc1 ZINC001277643482 805918480 /nfs/dbraw/zinc/91/84/80/805918480.db2.gz OEHCIGUTINFGHW-UHFFFAOYSA-N 1 2 295.346 0.981 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387729 806056188 /nfs/dbraw/zinc/05/61/88/806056188.db2.gz VVFHSIASOVMKGJ-JTQLQIEISA-N 1 2 259.309 0.926 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387729 806056198 /nfs/dbraw/zinc/05/61/98/806056198.db2.gz VVFHSIASOVMKGJ-JTQLQIEISA-N 1 2 259.309 0.926 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncccc3F)[C@H]2C1 ZINC001083233660 791463913 /nfs/dbraw/zinc/46/39/13/791463913.db2.gz MSIHFEMUKFRKSG-QWHCGFSZSA-N 1 2 291.326 0.932 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncccc3F)[C@H]2C1 ZINC001083233660 791463919 /nfs/dbraw/zinc/46/39/19/791463919.db2.gz MSIHFEMUKFRKSG-QWHCGFSZSA-N 1 2 291.326 0.932 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC1(C)C ZINC001267193076 791652033 /nfs/dbraw/zinc/65/20/33/791652033.db2.gz XGGZQLXRGLFXSY-NSHDSACASA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC1(C)C ZINC001267193076 791652039 /nfs/dbraw/zinc/65/20/39/791652039.db2.gz XGGZQLXRGLFXSY-NSHDSACASA-N 1 2 267.373 0.383 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC001267195296 791655279 /nfs/dbraw/zinc/65/52/79/791655279.db2.gz UTWGJQXBWCCGDI-AWEZNQCLSA-N 1 2 295.427 0.855 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC001267195296 791655286 /nfs/dbraw/zinc/65/52/86/791655286.db2.gz UTWGJQXBWCCGDI-AWEZNQCLSA-N 1 2 295.427 0.855 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC001267211794 791679186 /nfs/dbraw/zinc/67/91/86/791679186.db2.gz DJABZDSUQJZEAV-TUAOUCFPSA-N 1 2 275.352 0.706 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001233819639 806127361 /nfs/dbraw/zinc/12/73/61/806127361.db2.gz NRVIZBDGUXPBIH-FUEXJSSKSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001233819639 806127362 /nfs/dbraw/zinc/12/73/62/806127362.db2.gz NRVIZBDGUXPBIH-FUEXJSSKSA-N 1 2 297.786 0.411 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234160003 806192192 /nfs/dbraw/zinc/19/21/92/806192192.db2.gz FVHBGNCITBTJKO-HNNXBMFYSA-N 1 2 276.380 0.828 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234160003 806192196 /nfs/dbraw/zinc/19/21/96/806192196.db2.gz FVHBGNCITBTJKO-HNNXBMFYSA-N 1 2 276.380 0.828 20 30 CCEDLO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)CCC#N)n1 ZINC001120595603 798882327 /nfs/dbraw/zinc/88/23/27/798882327.db2.gz GOXMFTHMYWZLAL-GFCCVEGCSA-N 1 2 263.345 0.081 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1 ZINC001278127853 806707717 /nfs/dbraw/zinc/70/77/17/806707717.db2.gz FPDIZIGJBFKVTO-LLVKDONJSA-N 1 2 281.356 0.762 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121405908 799042350 /nfs/dbraw/zinc/04/23/50/799042350.db2.gz QPVJHSCJEHDYSZ-SMDDNHRTSA-N 1 2 294.355 0.001 20 30 CCEDLO Cc1nc(N[C@@H](CO)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001121520802 799055509 /nfs/dbraw/zinc/05/55/09/799055509.db2.gz RKTPNVOJNUQCHO-GFCCVEGCSA-N 1 2 276.340 0.333 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]cn3)n2CC=C)CC1 ZINC001121600479 799059860 /nfs/dbraw/zinc/05/98/60/799059860.db2.gz NNZJGVCWOAFNEJ-UHFFFAOYSA-N 1 2 297.366 0.609 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)O)n2CC2CC2)CC1 ZINC001123605572 799440653 /nfs/dbraw/zinc/44/06/53/799440653.db2.gz HUPROIOXHHKUJP-LBPRGKRZSA-N 1 2 289.383 0.497 20 30 CCEDLO Cc1nc(C[NH2+]CCNC(=O)[C@H](C)C#N)oc1C ZINC001124888837 799638831 /nfs/dbraw/zinc/63/88/31/799638831.db2.gz MMBFCZJBVPLIAN-MRVPVSSYSA-N 1 2 250.302 0.657 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)cc1C#N ZINC001139726149 799835411 /nfs/dbraw/zinc/83/54/11/799835411.db2.gz VTCWZQBDLIHZQR-HNNXBMFYSA-N 1 2 285.347 0.910 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)cc1C#N ZINC001139726149 799835414 /nfs/dbraw/zinc/83/54/14/799835414.db2.gz VTCWZQBDLIHZQR-HNNXBMFYSA-N 1 2 285.347 0.910 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001150731112 800361648 /nfs/dbraw/zinc/36/16/48/800361648.db2.gz DAFQQDBOIZVECB-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001150731112 800361656 /nfs/dbraw/zinc/36/16/56/800361656.db2.gz DAFQQDBOIZVECB-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001153080949 800593515 /nfs/dbraw/zinc/59/35/15/800593515.db2.gz JBZPKQMOBACADN-UHFFFAOYSA-N 1 2 296.371 0.992 20 30 CCEDLO COc1nc(NC[C@H]2C[N@H+](C)CCO2)ncc1C#N ZINC001155193687 800927121 /nfs/dbraw/zinc/92/71/21/800927121.db2.gz JZUURNDKEAAPKW-JTQLQIEISA-N 1 2 263.301 0.099 20 30 CCEDLO COc1nc(NC[C@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC001155193687 800927127 /nfs/dbraw/zinc/92/71/27/800927127.db2.gz JZUURNDKEAAPKW-JTQLQIEISA-N 1 2 263.301 0.099 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155743033 801046755 /nfs/dbraw/zinc/04/67/55/801046755.db2.gz CCFKDMSBZXABPK-NWDGAFQWSA-N 1 2 277.372 0.938 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155743033 801046760 /nfs/dbraw/zinc/04/67/60/801046760.db2.gz CCFKDMSBZXABPK-NWDGAFQWSA-N 1 2 277.372 0.938 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCS(C)(=O)=O ZINC001155789043 801051054 /nfs/dbraw/zinc/05/10/54/801051054.db2.gz LNUABQYPFQRKMX-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCS(C)(=O)=O ZINC001155789043 801051058 /nfs/dbraw/zinc/05/10/58/801051058.db2.gz LNUABQYPFQRKMX-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(OC)c(C#N)cc2F)C[NH2+]1 ZINC001156248669 801138566 /nfs/dbraw/zinc/13/85/66/801138566.db2.gz FXCUYVZIMHHNQR-WPRPVWTQSA-N 1 2 294.286 0.416 20 30 CCEDLO COc1nc(Cl)nc(C)c1N1CC[NH2+]C[C@@H]1C#N ZINC001156320308 801149780 /nfs/dbraw/zinc/14/97/80/801149780.db2.gz WNGCCHFCIVMSFB-QMMMGPOBSA-N 1 2 267.720 0.749 20 30 CCEDLO C=CCCCNC(=S)NC[C@@H]([NH3+])C(=O)OCC ZINC001239389702 806896425 /nfs/dbraw/zinc/89/64/25/806896425.db2.gz MHQOFKRJSMYUQR-SECBINFHSA-N 1 2 259.375 0.307 20 30 CCEDLO CC#CC[N@H+]1CC=C(CCNC(=O)CS(C)(=O)=O)CC1 ZINC001159458458 801810214 /nfs/dbraw/zinc/81/02/14/801810214.db2.gz SYTJOAQGSCOTLD-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)CS(C)(=O)=O)CC1 ZINC001159458458 801810221 /nfs/dbraw/zinc/81/02/21/801810221.db2.gz SYTJOAQGSCOTLD-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO N#Cc1cnc(Nc2nccnc2C[NH3+])c(C#N)c1 ZINC001160245783 801922972 /nfs/dbraw/zinc/92/29/72/801922972.db2.gz GJMOFICJOMPSEK-UHFFFAOYSA-N 1 2 251.253 0.817 20 30 CCEDLO N#Cc1nccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)n1 ZINC001161747012 802213057 /nfs/dbraw/zinc/21/30/57/802213057.db2.gz VJWZPGNLTNOCSC-UHFFFAOYSA-N 1 2 289.320 0.608 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C#N)cc1Cl ZINC001161946201 802253399 /nfs/dbraw/zinc/25/33/99/802253399.db2.gz SDTAIBNTUGTBMP-SECBINFHSA-N 1 2 268.704 0.909 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC001264372301 809644925 /nfs/dbraw/zinc/64/49/25/809644925.db2.gz BSAFDZZJSLTYPB-AWEZNQCLSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC001264372301 809644927 /nfs/dbraw/zinc/64/49/27/809644927.db2.gz BSAFDZZJSLTYPB-AWEZNQCLSA-N 1 2 288.351 0.273 20 30 CCEDLO N#CCc1cc(NCCNC(=O)C(F)(F)F)cc[nH+]1 ZINC001164246076 802696461 /nfs/dbraw/zinc/69/64/61/802696461.db2.gz MPZIQYXMMCNTJW-UHFFFAOYSA-N 1 2 272.230 0.660 20 30 CCEDLO CCOC(=O)c1c[nH]c(=NOCC[NH3+])c(C#N)c1 ZINC001164424198 802739419 /nfs/dbraw/zinc/73/94/19/802739419.db2.gz QYOFZVOTZOIIPF-UHFFFAOYSA-N 1 2 250.258 0.432 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267750220 811742783 /nfs/dbraw/zinc/74/27/83/811742783.db2.gz ZRTZRPLKIPPIOF-MFKMUULPSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267750220 811742791 /nfs/dbraw/zinc/74/27/91/811742791.db2.gz ZRTZRPLKIPPIOF-MFKMUULPSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C1CC(C)(C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001166249675 802896121 /nfs/dbraw/zinc/89/61/21/802896121.db2.gz ZAXZPMXMBRINEM-UHFFFAOYSA-N 1 2 278.360 0.162 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@@H](O)C1 ZINC001083437211 814947464 /nfs/dbraw/zinc/94/74/64/814947464.db2.gz GUKYVMRMNDMKLB-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@@H](O)C1 ZINC001083437211 814947469 /nfs/dbraw/zinc/94/74/69/814947469.db2.gz GUKYVMRMNDMKLB-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3cc(C#N)ccn3)C2)C1 ZINC001276688129 803657002 /nfs/dbraw/zinc/65/70/02/803657002.db2.gz UJQPSRNOCZVNAE-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211997368 814970995 /nfs/dbraw/zinc/97/09/95/814970995.db2.gz RYYZDULMLZBBOH-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211997368 814971000 /nfs/dbraw/zinc/97/10/00/814971000.db2.gz RYYZDULMLZBBOH-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CC)[C@H]2C1 ZINC001217736574 803908448 /nfs/dbraw/zinc/90/84/48/803908448.db2.gz HPFBTUIGVCXQOC-HZSPNIEDSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CC)[C@H]2C1 ZINC001217736574 803908452 /nfs/dbraw/zinc/90/84/52/803908452.db2.gz HPFBTUIGVCXQOC-HZSPNIEDSA-N 1 2 264.369 0.967 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039271 814982953 /nfs/dbraw/zinc/98/29/53/814982953.db2.gz ICVFZHVNFIKWJT-MRVWCRGKSA-N 1 2 288.351 0.557 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039271 814982959 /nfs/dbraw/zinc/98/29/59/814982959.db2.gz ICVFZHVNFIKWJT-MRVWCRGKSA-N 1 2 288.351 0.557 20 30 CCEDLO N#Cc1c[nH]c2cc(NC(=O)[C@@H]3COCC[NH2+]3)ccc12 ZINC001219044928 804186488 /nfs/dbraw/zinc/18/64/88/804186488.db2.gz QYUWZLPDXXLBCI-ZDUSSCGKSA-N 1 2 270.292 0.966 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591682 804362865 /nfs/dbraw/zinc/36/28/65/804362865.db2.gz PZBGHAJCAINECN-UPJWGTAASA-N 1 2 268.332 0.309 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591682 804362872 /nfs/dbraw/zinc/36/28/72/804362872.db2.gz PZBGHAJCAINECN-UPJWGTAASA-N 1 2 268.332 0.309 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](O)C1 ZINC001083458876 815018490 /nfs/dbraw/zinc/01/84/90/815018490.db2.gz KJHTWYWVCKOVJW-KGLIPLIRSA-N 1 2 299.374 0.298 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](O)C1 ZINC001083458876 815018495 /nfs/dbraw/zinc/01/84/95/815018495.db2.gz KJHTWYWVCKOVJW-KGLIPLIRSA-N 1 2 299.374 0.298 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@@H](O)C1 ZINC001220455292 804607842 /nfs/dbraw/zinc/60/78/42/804607842.db2.gz AJXJVGLFOPTQDK-QLFBSQMISA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@@H](O)C1 ZINC001220455292 804607844 /nfs/dbraw/zinc/60/78/44/804607844.db2.gz AJXJVGLFOPTQDK-QLFBSQMISA-N 1 2 294.395 0.519 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001221224019 804750396 /nfs/dbraw/zinc/75/03/96/804750396.db2.gz NBTDRNMVUXQKFH-VXGBXAGGSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001221224019 804750401 /nfs/dbraw/zinc/75/04/01/804750401.db2.gz NBTDRNMVUXQKFH-VXGBXAGGSA-N 1 2 286.322 0.824 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001222635764 804921782 /nfs/dbraw/zinc/92/17/82/804921782.db2.gz BAVTXCPHCMHFKF-SNVBAGLBSA-N 1 2 291.355 0.866 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001276843130 804936109 /nfs/dbraw/zinc/93/61/09/804936109.db2.gz VDAXDJAAKCNFKN-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001276843130 804936113 /nfs/dbraw/zinc/93/61/13/804936113.db2.gz VDAXDJAAKCNFKN-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CCC1 ZINC001276964277 805027463 /nfs/dbraw/zinc/02/74/63/805027463.db2.gz RPRVQBWPPOZRBM-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C(=O)NC)CCC1 ZINC001276964277 805027470 /nfs/dbraw/zinc/02/74/70/805027470.db2.gz RPRVQBWPPOZRBM-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001228372922 805440404 /nfs/dbraw/zinc/44/04/04/805440404.db2.gz FYKQBTYWNOCKLM-PINQPDRWSA-N 1 2 263.297 0.476 20 30 CCEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001228372922 805440410 /nfs/dbraw/zinc/44/04/10/805440410.db2.gz FYKQBTYWNOCKLM-PINQPDRWSA-N 1 2 263.297 0.476 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nnccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229607338 805544266 /nfs/dbraw/zinc/54/42/66/805544266.db2.gz MLOJAOKOEAGICE-YZCVJGAOSA-N 1 2 258.281 0.339 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nnccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229607338 805544270 /nfs/dbraw/zinc/54/42/70/805544270.db2.gz MLOJAOKOEAGICE-YZCVJGAOSA-N 1 2 258.281 0.339 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3-c3nn[nH]n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229954733 805568567 /nfs/dbraw/zinc/56/85/67/805568567.db2.gz OCRUVQBEZXSBPR-LSVRBPJHSA-N 1 2 299.334 0.858 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)[C@H]1C ZINC001088691243 815086300 /nfs/dbraw/zinc/08/63/00/815086300.db2.gz GCNRXFOCZOSYII-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)[C@H]1C ZINC001088691243 815086306 /nfs/dbraw/zinc/08/63/06/815086306.db2.gz GCNRXFOCZOSYII-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CCCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001247624451 807470671 /nfs/dbraw/zinc/47/06/71/807470671.db2.gz NHQJCEARVBPHGP-GFCCVEGCSA-N 1 2 269.414 0.844 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249106593 807542091 /nfs/dbraw/zinc/54/20/91/807542091.db2.gz JXLUOBWFGAABKP-UHFFFAOYSA-N 1 2 271.324 0.726 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249106593 807542095 /nfs/dbraw/zinc/54/20/95/807542095.db2.gz JXLUOBWFGAABKP-UHFFFAOYSA-N 1 2 271.324 0.726 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966209 815130204 /nfs/dbraw/zinc/13/02/04/815130204.db2.gz STOMMDNTJFBZGE-MELADBBJSA-N 1 2 299.378 0.502 20 30 CCEDLO COc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1C#N ZINC001251027432 807646712 /nfs/dbraw/zinc/64/67/12/807646712.db2.gz PQJPBYFBSFBBQW-CQSZACIVSA-N 1 2 291.351 0.672 20 30 CCEDLO COc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1C#N ZINC001251027430 807646732 /nfs/dbraw/zinc/64/67/32/807646732.db2.gz PQJPBYFBSFBBQW-AWEZNQCLSA-N 1 2 291.351 0.672 20 30 CCEDLO COc1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251028600 807648415 /nfs/dbraw/zinc/64/84/15/807648415.db2.gz JVRYYAAJOXNFJF-LBPRGKRZSA-N 1 2 291.351 0.672 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001251860212 807724735 /nfs/dbraw/zinc/72/47/35/807724735.db2.gz FGBYHFIZLGLCKX-NSHDSACASA-N 1 2 250.298 0.352 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001251860212 807724738 /nfs/dbraw/zinc/72/47/38/807724738.db2.gz FGBYHFIZLGLCKX-NSHDSACASA-N 1 2 250.298 0.352 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126834645 815149665 /nfs/dbraw/zinc/14/96/65/815149665.db2.gz WQAFRVLEJILYFN-UHFFFAOYSA-N 1 2 276.340 0.812 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)COC)[C@@H](C)CC ZINC001252828936 807973580 /nfs/dbraw/zinc/97/35/80/807973580.db2.gz RDOBIAHIWRORBC-SRVKXCTJSA-N 1 2 259.346 0.727 20 30 CCEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126880944 815179134 /nfs/dbraw/zinc/17/91/34/815179134.db2.gz HQUHLDSBEUHADX-SNVBAGLBSA-N 1 2 276.340 0.812 20 30 CCEDLO C#CCOCCOCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001254134784 808188700 /nfs/dbraw/zinc/18/87/00/808188700.db2.gz ZBNXFUMKOKANAY-UHFFFAOYSA-N 1 2 288.307 0.321 20 30 CCEDLO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781569 808231825 /nfs/dbraw/zinc/23/18/25/808231825.db2.gz KNGBVFZHUTYGSH-PSASIEDQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781569 808231832 /nfs/dbraw/zinc/23/18/32/808231832.db2.gz KNGBVFZHUTYGSH-PSASIEDQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278781569 808231835 /nfs/dbraw/zinc/23/18/35/808231835.db2.gz KNGBVFZHUTYGSH-PSASIEDQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278781569 808231840 /nfs/dbraw/zinc/23/18/40/808231840.db2.gz KNGBVFZHUTYGSH-PSASIEDQSA-N 1 2 284.253 0.626 20 30 CCEDLO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126885053 815186759 /nfs/dbraw/zinc/18/67/59/815186759.db2.gz AKSIPBDGZSVCSG-UHFFFAOYSA-N 1 2 290.367 0.986 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1C(C)=O ZINC001254676425 808272699 /nfs/dbraw/zinc/27/26/99/808272699.db2.gz LNQCEBHIWWJLRP-AGIUHOORSA-N 1 2 279.340 0.384 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1C(C)=O ZINC001254676425 808272701 /nfs/dbraw/zinc/27/27/01/808272701.db2.gz LNQCEBHIWWJLRP-AGIUHOORSA-N 1 2 279.340 0.384 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255358669 808350273 /nfs/dbraw/zinc/35/02/73/808350273.db2.gz WISCBXLKQFWBQV-UPJWGTAASA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001258257168 808666752 /nfs/dbraw/zinc/66/67/52/808666752.db2.gz XCTGDIXELLDJJE-LBPRGKRZSA-N 1 2 277.349 0.637 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001258257168 808666753 /nfs/dbraw/zinc/66/67/53/808666753.db2.gz XCTGDIXELLDJJE-LBPRGKRZSA-N 1 2 277.349 0.637 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259416091 808757542 /nfs/dbraw/zinc/75/75/42/808757542.db2.gz FSOXEVCLCBJMAH-QWRGUYRKSA-N 1 2 295.339 0.774 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259416091 808757545 /nfs/dbraw/zinc/75/75/45/808757545.db2.gz FSOXEVCLCBJMAH-QWRGUYRKSA-N 1 2 295.339 0.774 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001076303538 815272917 /nfs/dbraw/zinc/27/29/17/815272917.db2.gz YPYUTTPSMWZJRV-HZSPNIEDSA-N 1 2 287.367 0.890 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(F)F)n2CC)CC1 ZINC001263044666 809427587 /nfs/dbraw/zinc/42/75/87/809427587.db2.gz YPKWOFBLRLOKSY-UHFFFAOYSA-N 1 2 283.326 0.861 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001076402597 815291234 /nfs/dbraw/zinc/29/12/34/815291234.db2.gz XIOWAPBGRYVQMH-WDEREUQCSA-N 1 2 259.313 0.008 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263895782 809601812 /nfs/dbraw/zinc/60/18/12/809601812.db2.gz GRIHOAGVGKIJGM-NSHDSACASA-N 1 2 278.356 0.785 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263895782 809601815 /nfs/dbraw/zinc/60/18/15/809601815.db2.gz GRIHOAGVGKIJGM-NSHDSACASA-N 1 2 278.356 0.785 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]1C ZINC001264147342 809635440 /nfs/dbraw/zinc/63/54/40/809635440.db2.gz NLXNCCHCPNHJAN-ZJUUUORDSA-N 1 2 287.791 0.829 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]1C ZINC001264147342 809635444 /nfs/dbraw/zinc/63/54/44/809635444.db2.gz NLXNCCHCPNHJAN-ZJUUUORDSA-N 1 2 287.791 0.829 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001264744318 809676559 /nfs/dbraw/zinc/67/65/59/809676559.db2.gz RUERJIDJDPOMPU-LBPRGKRZSA-N 1 2 275.356 0.789 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001265210229 809724857 /nfs/dbraw/zinc/72/48/57/809724857.db2.gz IQQKRZBOOONULP-AWEZNQCLSA-N 1 2 289.379 0.427 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001265210229 809724860 /nfs/dbraw/zinc/72/48/60/809724860.db2.gz IQQKRZBOOONULP-AWEZNQCLSA-N 1 2 289.379 0.427 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2csnn2)C1 ZINC001266229586 809968217 /nfs/dbraw/zinc/96/82/17/809968217.db2.gz JOTYDQHNNWBBBZ-NSHDSACASA-N 1 2 294.380 0.382 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2csnn2)C1 ZINC001266229586 809968220 /nfs/dbraw/zinc/96/82/20/809968220.db2.gz JOTYDQHNNWBBBZ-NSHDSACASA-N 1 2 294.380 0.382 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001279489259 809984799 /nfs/dbraw/zinc/98/47/99/809984799.db2.gz CLYZVITUMKMSBU-HNNXBMFYSA-N 1 2 297.399 0.017 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001279489259 809984801 /nfs/dbraw/zinc/98/48/01/809984801.db2.gz CLYZVITUMKMSBU-HNNXBMFYSA-N 1 2 297.399 0.017 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001076701636 815351058 /nfs/dbraw/zinc/35/10/58/815351058.db2.gz KISOFPVYZUJWQI-NXEZZACHSA-N 1 2 252.339 0.709 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001076701636 815351064 /nfs/dbraw/zinc/35/10/64/815351064.db2.gz KISOFPVYZUJWQI-NXEZZACHSA-N 1 2 252.339 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001076707665 815349363 /nfs/dbraw/zinc/34/93/63/815349363.db2.gz KRTRGQLLDJOERJ-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001076707665 815349369 /nfs/dbraw/zinc/34/93/69/815349369.db2.gz KRTRGQLLDJOERJ-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 ZINC001076830645 815386847 /nfs/dbraw/zinc/38/68/47/815386847.db2.gz BPRHBLCZAWKBQD-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 ZINC001076830645 815386853 /nfs/dbraw/zinc/38/68/53/815386853.db2.gz BPRHBLCZAWKBQD-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855980 815397997 /nfs/dbraw/zinc/39/79/97/815397997.db2.gz VHXAOWGYOCYGJT-CYZMBNFOSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855980 815398004 /nfs/dbraw/zinc/39/80/04/815398004.db2.gz VHXAOWGYOCYGJT-CYZMBNFOSA-N 1 2 294.330 0.409 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001076986211 815428388 /nfs/dbraw/zinc/42/83/88/815428388.db2.gz PENVUSNKZJYYDB-ZYHUDNBSSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001076986211 815428392 /nfs/dbraw/zinc/42/83/92/815428392.db2.gz PENVUSNKZJYYDB-ZYHUDNBSSA-N 1 2 291.351 0.380 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+]Cc1nn(C)cc1Cl ZINC001267355058 811202731 /nfs/dbraw/zinc/20/27/31/811202731.db2.gz GOXCXAFUKBOVAY-SECBINFHSA-N 1 2 283.763 0.781 20 30 CCEDLO COCCCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267573397 811464717 /nfs/dbraw/zinc/46/47/17/811464717.db2.gz FIIFTURMYFNMNX-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H](O)C1 ZINC001083564897 815451086 /nfs/dbraw/zinc/45/10/86/815451086.db2.gz RPWZGGBSZFTHDC-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H](O)C1 ZINC001083564897 815451088 /nfs/dbraw/zinc/45/10/88/815451088.db2.gz RPWZGGBSZFTHDC-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001077148494 815451741 /nfs/dbraw/zinc/45/17/41/815451741.db2.gz QBYSLZMPPCBUES-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001077148494 815451746 /nfs/dbraw/zinc/45/17/46/815451746.db2.gz QBYSLZMPPCBUES-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001267624884 811584654 /nfs/dbraw/zinc/58/46/54/811584654.db2.gz POIPTMCXBHKRSZ-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001267624884 811584661 /nfs/dbraw/zinc/58/46/61/811584661.db2.gz POIPTMCXBHKRSZ-ZDUSSCGKSA-N 1 2 279.384 0.507 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001267639302 811600000 /nfs/dbraw/zinc/60/00/00/811600000.db2.gz CHDKBGQMKBJICE-NWDGAFQWSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001267639220 811600789 /nfs/dbraw/zinc/60/07/89/811600789.db2.gz AFJPFLHUZXTLLS-QWRGUYRKSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001267653804 811620261 /nfs/dbraw/zinc/62/02/61/811620261.db2.gz DGWCKMIZDYZFQQ-CABCVRRESA-N 1 2 294.395 0.805 20 30 CCEDLO C=C(Cl)CN1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267700872 811665753 /nfs/dbraw/zinc/66/57/53/811665753.db2.gz IJYCUAWVSKEIMH-UHFFFAOYSA-N 1 2 268.748 0.684 20 30 CCEDLO CN(C(=O)CC#Cc1ccccc1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267777204 811778907 /nfs/dbraw/zinc/77/89/07/811778907.db2.gz KXGQEBKIOJSKRJ-HNNXBMFYSA-N 1 2 299.374 0.446 20 30 CCEDLO CN(C(=O)CC#Cc1ccccc1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267777204 811778911 /nfs/dbraw/zinc/77/89/11/811778911.db2.gz KXGQEBKIOJSKRJ-HNNXBMFYSA-N 1 2 299.374 0.446 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001077315230 815479676 /nfs/dbraw/zinc/47/96/76/815479676.db2.gz KUEPZYIAHQLONH-ZIAGYGMSSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001077315230 815479679 /nfs/dbraw/zinc/47/96/79/815479679.db2.gz KUEPZYIAHQLONH-ZIAGYGMSSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)C=CCC3)C2)nn1 ZINC001105303512 811901101 /nfs/dbraw/zinc/90/11/01/811901101.db2.gz OEARBQLKBHIAEZ-MRXNPFEDSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@@H](O)C1 ZINC001083575405 815490946 /nfs/dbraw/zinc/49/09/46/815490946.db2.gz PFOPRXSULWZXGS-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@@H](O)C1 ZINC001083575405 815490950 /nfs/dbraw/zinc/49/09/50/815490950.db2.gz PFOPRXSULWZXGS-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077404125 815494551 /nfs/dbraw/zinc/49/45/51/815494551.db2.gz PQIMBMXLEYIAIR-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077404125 815494554 /nfs/dbraw/zinc/49/45/54/815494554.db2.gz PQIMBMXLEYIAIR-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125987920 811968847 /nfs/dbraw/zinc/96/88/47/811968847.db2.gz HWJXYEARQNKHJX-UHFFFAOYSA-N 1 2 284.323 0.504 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001268028776 812018848 /nfs/dbraw/zinc/01/88/48/812018848.db2.gz NHGIJAUBGNAMDZ-STQMWFEESA-N 1 2 297.399 0.137 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001268028776 812018857 /nfs/dbraw/zinc/01/88/57/812018857.db2.gz NHGIJAUBGNAMDZ-STQMWFEESA-N 1 2 297.399 0.137 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027976560 812185643 /nfs/dbraw/zinc/18/56/43/812185643.db2.gz CZRIVTGWXBVLSG-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027978668 812190180 /nfs/dbraw/zinc/19/01/80/812190180.db2.gz CAQORPGRYFKJDY-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](O)C1 ZINC001083592336 815517504 /nfs/dbraw/zinc/51/75/04/815517504.db2.gz XGSOWOPJZMQWQK-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](O)C1 ZINC001083592336 815517509 /nfs/dbraw/zinc/51/75/09/815517509.db2.gz XGSOWOPJZMQWQK-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO CC[C@@H](C)[C@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268251985 812416506 /nfs/dbraw/zinc/41/65/06/812416506.db2.gz LXYLVXWBSWLNEQ-OLZOCXBDSA-N 1 2 296.415 0.699 20 30 CCEDLO CC[C@@H](C)[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268251985 812416509 /nfs/dbraw/zinc/41/65/09/812416509.db2.gz LXYLVXWBSWLNEQ-OLZOCXBDSA-N 1 2 296.415 0.699 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001268278801 812442179 /nfs/dbraw/zinc/44/21/79/812442179.db2.gz BCMNVRBIIDBLTQ-DZGCQCFKSA-N 1 2 282.384 0.683 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001126366684 812684403 /nfs/dbraw/zinc/68/44/03/812684403.db2.gz XUGUVVIOWHHIPT-AWEZNQCLSA-N 1 2 278.356 0.318 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](CCCC)NC(N)=O)C1 ZINC001268492002 812688392 /nfs/dbraw/zinc/68/83/92/812688392.db2.gz PVMXRMJXQFAQDL-GFCCVEGCSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001077430293 815561608 /nfs/dbraw/zinc/56/16/08/815561608.db2.gz GYHZHXWSCIKWAK-XLWJZTARSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001077430293 815561609 /nfs/dbraw/zinc/56/16/09/815561609.db2.gz GYHZHXWSCIKWAK-XLWJZTARSA-N 1 2 276.380 0.607 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001268592587 812883922 /nfs/dbraw/zinc/88/39/22/812883922.db2.gz HULICTHIDAQOMT-JXLSXLBDSA-N 1 2 292.339 0.423 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268726363 813042280 /nfs/dbraw/zinc/04/22/80/813042280.db2.gz PONQMBZXLADJNJ-QWRGUYRKSA-N 1 2 263.345 0.516 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268726363 813042290 /nfs/dbraw/zinc/04/22/90/813042290.db2.gz PONQMBZXLADJNJ-QWRGUYRKSA-N 1 2 263.345 0.516 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268729580 813043911 /nfs/dbraw/zinc/04/39/11/813043911.db2.gz HGCASWJBILMYSL-OLZOCXBDSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268729580 813043918 /nfs/dbraw/zinc/04/39/18/813043918.db2.gz HGCASWJBILMYSL-OLZOCXBDSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC(CC)CC)C1 ZINC001268892610 813134919 /nfs/dbraw/zinc/13/49/19/813134919.db2.gz YGTZGNCSXKAJMV-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001268942425 813152493 /nfs/dbraw/zinc/15/24/93/813152493.db2.gz RXUVDEILJFSRMP-PHIMTYICSA-N 1 2 290.285 0.874 20 30 CCEDLO C#CC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001268942425 813152496 /nfs/dbraw/zinc/15/24/96/813152496.db2.gz RXUVDEILJFSRMP-PHIMTYICSA-N 1 2 290.285 0.874 20 30 CCEDLO CCC#CC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268951277 813155948 /nfs/dbraw/zinc/15/59/48/813155948.db2.gz KMHBSKDMEUOGAW-UHFFFAOYSA-N 1 2 258.325 0.467 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001269057006 813199281 /nfs/dbraw/zinc/19/92/81/813199281.db2.gz OUECYJFMZSHWGP-STQMWFEESA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001269057006 813199286 /nfs/dbraw/zinc/19/92/86/813199286.db2.gz OUECYJFMZSHWGP-STQMWFEESA-N 1 2 293.411 0.915 20 30 CCEDLO N#CCNC[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001269096535 813213663 /nfs/dbraw/zinc/21/36/63/813213663.db2.gz ZWZXOJIYMSORDC-GFCCVEGCSA-N 1 2 283.335 0.956 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](O)C1 ZINC001083648129 815602784 /nfs/dbraw/zinc/60/27/84/815602784.db2.gz LFGBOFRUCLCUMX-NEPJUHHUSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](O)C1 ZINC001083648129 815602788 /nfs/dbraw/zinc/60/27/88/815602788.db2.gz LFGBOFRUCLCUMX-NEPJUHHUSA-N 1 2 291.351 0.821 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269199037 813260056 /nfs/dbraw/zinc/26/00/56/813260056.db2.gz FHGJPOKMEJLRBY-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269199037 813260060 /nfs/dbraw/zinc/26/00/60/813260060.db2.gz FHGJPOKMEJLRBY-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001269206643 813265490 /nfs/dbraw/zinc/26/54/90/813265490.db2.gz ZYKWGVKYJXDYPU-QWRGUYRKSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001269206643 813265494 /nfs/dbraw/zinc/26/54/94/813265494.db2.gz ZYKWGVKYJXDYPU-QWRGUYRKSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001269210771 813268576 /nfs/dbraw/zinc/26/85/76/813268576.db2.gz NWIMALGEQFQRBU-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001269210771 813268578 /nfs/dbraw/zinc/26/85/78/813268578.db2.gz NWIMALGEQFQRBU-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001269210772 813268764 /nfs/dbraw/zinc/26/87/64/813268764.db2.gz NWIMALGEQFQRBU-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001269210772 813268768 /nfs/dbraw/zinc/26/87/68/813268768.db2.gz NWIMALGEQFQRBU-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001269214900 813271794 /nfs/dbraw/zinc/27/17/94/813271794.db2.gz MCZPMTBCWDRSJZ-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001269214900 813271797 /nfs/dbraw/zinc/27/17/97/813271797.db2.gz MCZPMTBCWDRSJZ-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCC ZINC001269221615 813274495 /nfs/dbraw/zinc/27/44/95/813274495.db2.gz ACPNXSGEGCTKKW-KGLIPLIRSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC ZINC001269221615 813274499 /nfs/dbraw/zinc/27/44/99/813274499.db2.gz ACPNXSGEGCTKKW-KGLIPLIRSA-N 1 2 293.411 0.895 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001269229921 813278958 /nfs/dbraw/zinc/27/89/58/813278958.db2.gz SHJRBQKHRVHOIC-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001269229921 813278962 /nfs/dbraw/zinc/27/89/62/813278962.db2.gz SHJRBQKHRVHOIC-CHWSQXEVSA-N 1 2 279.384 0.313 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269272412 813298835 /nfs/dbraw/zinc/29/88/35/813298835.db2.gz KKPDKFGYOYQZOQ-NWDGAFQWSA-N 1 2 256.321 0.575 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269272412 813298841 /nfs/dbraw/zinc/29/88/41/813298841.db2.gz KKPDKFGYOYQZOQ-NWDGAFQWSA-N 1 2 256.321 0.575 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269291288 813310303 /nfs/dbraw/zinc/31/03/03/813310303.db2.gz IHSUUQDKQFIQFH-KFWWJZLASA-N 1 2 292.379 0.418 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269291288 813310308 /nfs/dbraw/zinc/31/03/08/813310308.db2.gz IHSUUQDKQFIQFH-KFWWJZLASA-N 1 2 292.379 0.418 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001270501565 813788358 /nfs/dbraw/zinc/78/83/58/813788358.db2.gz MYLYMWCGRKAFAG-JTQLQIEISA-N 1 2 259.313 0.214 20 30 CCEDLO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC001270590063 813829688 /nfs/dbraw/zinc/82/96/88/813829688.db2.gz IJZAQRCSJBBUHF-OKILXGFUSA-N 1 2 291.395 0.716 20 30 CCEDLO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC001270590063 813829698 /nfs/dbraw/zinc/82/96/98/813829698.db2.gz IJZAQRCSJBBUHF-OKILXGFUSA-N 1 2 291.395 0.716 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001029243932 814013003 /nfs/dbraw/zinc/01/30/03/814013003.db2.gz RJUHOLVXUHIXHE-UPJWGTAASA-N 1 2 290.367 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001029243932 814013009 /nfs/dbraw/zinc/01/30/09/814013009.db2.gz RJUHOLVXUHIXHE-UPJWGTAASA-N 1 2 290.367 0.054 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2cncc(C)c2)C1 ZINC001271327183 814380061 /nfs/dbraw/zinc/38/00/61/814380061.db2.gz FQMUGLZYGWAYPJ-UHFFFAOYSA-N 1 2 289.379 0.672 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc(OC)cs2)C1 ZINC001271335075 814383848 /nfs/dbraw/zinc/38/38/48/814383848.db2.gz GOCLXGBANVDOAV-UHFFFAOYSA-N 1 2 294.376 0.557 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCc2cncs2)C1 ZINC001271357535 814390167 /nfs/dbraw/zinc/39/01/67/814390167.db2.gz SKTSOXYICOEWDR-UHFFFAOYSA-N 1 2 293.392 0.262 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001280399342 814416469 /nfs/dbraw/zinc/41/64/69/814416469.db2.gz LUERWCYHQAGGHW-WCQYABFASA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001280399342 814416471 /nfs/dbraw/zinc/41/64/71/814416471.db2.gz LUERWCYHQAGGHW-WCQYABFASA-N 1 2 265.357 0.763 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001088461248 814714075 /nfs/dbraw/zinc/71/40/75/814714075.db2.gz YNBYBJGXTPLVGU-ZJUUUORDSA-N 1 2 284.751 0.005 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001088461248 814714079 /nfs/dbraw/zinc/71/40/79/814714079.db2.gz YNBYBJGXTPLVGU-ZJUUUORDSA-N 1 2 284.751 0.005 20 30 CCEDLO C=C(C)CCC(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001272028491 814756690 /nfs/dbraw/zinc/75/66/90/814756690.db2.gz WIQLHDZNSQVCAQ-UHFFFAOYSA-N 1 2 280.372 0.373 20 30 CCEDLO C=C(C)CCC(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001272028491 814756693 /nfs/dbraw/zinc/75/66/93/814756693.db2.gz WIQLHDZNSQVCAQ-UHFFFAOYSA-N 1 2 280.372 0.373 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCC(F)F ZINC001272068396 814904550 /nfs/dbraw/zinc/90/45/50/814904550.db2.gz ZFBJNKSGJLRYGZ-UHFFFAOYSA-N 1 2 289.326 0.171 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCC(F)F ZINC001272068396 814904552 /nfs/dbraw/zinc/90/45/52/814904552.db2.gz ZFBJNKSGJLRYGZ-UHFFFAOYSA-N 1 2 289.326 0.171 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001127045892 815601639 /nfs/dbraw/zinc/60/16/39/815601639.db2.gz JPQXROBMELJIGM-ZJUUUORDSA-N 1 2 282.369 0.343 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCC2(F)F)[C@@H](O)C1 ZINC001083668960 815641626 /nfs/dbraw/zinc/64/16/26/815641626.db2.gz NWNLNJXSTJOTIM-UTUOFQBUSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCC2(F)F)[C@@H](O)C1 ZINC001083668960 815641632 /nfs/dbraw/zinc/64/16/32/815641632.db2.gz NWNLNJXSTJOTIM-UTUOFQBUSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001077451336 815738039 /nfs/dbraw/zinc/73/80/39/815738039.db2.gz GLTMGFLUCYTIPM-CHWSQXEVSA-N 1 2 274.320 0.176 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001077451336 815738046 /nfs/dbraw/zinc/73/80/46/815738046.db2.gz GLTMGFLUCYTIPM-CHWSQXEVSA-N 1 2 274.320 0.176 20 30 CCEDLO Cn1nccc1CC[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030193952 815878642 /nfs/dbraw/zinc/87/86/42/815878642.db2.gz DEXLDKFBCSBCHQ-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)O1 ZINC001030196187 815880805 /nfs/dbraw/zinc/88/08/05/815880805.db2.gz LASMZBNKHYCLAH-GXFFZTMASA-N 1 2 288.351 0.868 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CCOC)nc2C)C1 ZINC001030306495 815969472 /nfs/dbraw/zinc/96/94/72/815969472.db2.gz SHLKXDVZHFAIMW-UHFFFAOYSA-N 1 2 292.383 0.828 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001030491592 816064487 /nfs/dbraw/zinc/06/44/87/816064487.db2.gz OGCZHBPRMLCXGI-UHFFFAOYSA-N 1 2 286.335 0.497 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001030525135 816087175 /nfs/dbraw/zinc/08/71/75/816087175.db2.gz AOVLQPORJMINIO-UHFFFAOYSA-N 1 2 288.351 0.100 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CN(CC#N)C1)C2 ZINC001030552885 816103794 /nfs/dbraw/zinc/10/37/94/816103794.db2.gz PFRUTLBKARRPQV-JTQLQIEISA-N 1 2 273.340 0.147 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CN(CC#N)C1)CC2 ZINC001030552885 816103797 /nfs/dbraw/zinc/10/37/97/816103797.db2.gz PFRUTLBKARRPQV-JTQLQIEISA-N 1 2 273.340 0.147 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001030590670 816129376 /nfs/dbraw/zinc/12/93/76/816129376.db2.gz MWORBQRHDPGJSK-UHFFFAOYSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001030710902 816242932 /nfs/dbraw/zinc/24/29/32/816242932.db2.gz SJCNVZPDWKHYGE-UHFFFAOYSA-N 1 2 274.368 0.830 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C(C)C)cn2)C1 ZINC001030740351 816258787 /nfs/dbraw/zinc/25/87/87/816258787.db2.gz HHKHRIPBFWOWSR-UHFFFAOYSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC001030835775 816331063 /nfs/dbraw/zinc/33/10/63/816331063.db2.gz AZMVKUJJWGSZNC-RISCZKNCSA-N 1 2 286.379 0.899 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001083692882 816435658 /nfs/dbraw/zinc/43/56/58/816435658.db2.gz JGJKAXRGCXMFQU-KGLIPLIRSA-N 1 2 290.338 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001083692882 816435661 /nfs/dbraw/zinc/43/56/61/816435661.db2.gz JGJKAXRGCXMFQU-KGLIPLIRSA-N 1 2 290.338 0.851 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)c1 ZINC001030928033 816447998 /nfs/dbraw/zinc/44/79/98/816447998.db2.gz FJPNGNWUIXYOGS-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCNC(=O)CSCC#N)n1 ZINC001234146969 816501023 /nfs/dbraw/zinc/50/10/23/816501023.db2.gz UUZBYMUJGNNHBL-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCNC(=O)CSCC#N)n1 ZINC001234146969 816501029 /nfs/dbraw/zinc/50/10/29/816501029.db2.gz UUZBYMUJGNNHBL-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001030957403 816501328 /nfs/dbraw/zinc/50/13/28/816501328.db2.gz DYGJKMREBGQUPG-UHFFFAOYSA-N 1 2 299.378 0.514 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001234172094 816507066 /nfs/dbraw/zinc/50/70/66/816507066.db2.gz VGWJMDKHNRHIBV-ZIAGYGMSSA-N 1 2 293.411 0.655 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001234172094 816507070 /nfs/dbraw/zinc/50/70/70/816507070.db2.gz VGWJMDKHNRHIBV-ZIAGYGMSSA-N 1 2 293.411 0.655 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001031029786 816581948 /nfs/dbraw/zinc/58/19/48/816581948.db2.gz CBKFDUYDLPMWIE-UHFFFAOYSA-N 1 2 280.759 0.819 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001031060801 816617316 /nfs/dbraw/zinc/61/73/16/816617316.db2.gz JZZJUONLBATDBY-AWEZNQCLSA-N 1 2 291.395 0.764 20 30 CCEDLO C[C@@H](CCNc1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426617 816768496 /nfs/dbraw/zinc/76/84/96/816768496.db2.gz MCYYHHSMDXENJD-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC#CCN1CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001031195240 816780186 /nfs/dbraw/zinc/78/01/86/816780186.db2.gz BDNZDRRKNGMKQE-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001083739797 816905348 /nfs/dbraw/zinc/90/53/48/816905348.db2.gz YFAZPCILTDSBOI-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001083739797 816905354 /nfs/dbraw/zinc/90/53/54/816905354.db2.gz YFAZPCILTDSBOI-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031276302 816922369 /nfs/dbraw/zinc/92/23/69/816922369.db2.gz VFDYFRJXMXZNBN-UHFFFAOYSA-N 1 2 291.326 0.867 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2csc3nccn23)C1 ZINC001031395196 817029366 /nfs/dbraw/zinc/02/93/66/817029366.db2.gz YNGXIWGYZOCUKV-UHFFFAOYSA-N 1 2 276.365 0.925 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001031442697 817057965 /nfs/dbraw/zinc/05/79/65/817057965.db2.gz QMSLDAFUHAXTMI-UHFFFAOYSA-N 1 2 285.303 0.971 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001083756935 817059631 /nfs/dbraw/zinc/05/96/31/817059631.db2.gz RYJLOHCHUAUTMB-MNOVXSKESA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001083756935 817059639 /nfs/dbraw/zinc/05/96/39/817059639.db2.gz RYJLOHCHUAUTMB-MNOVXSKESA-N 1 2 282.727 0.731 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001031451860 817062776 /nfs/dbraw/zinc/06/27/76/817062776.db2.gz YJBACVJTHWMYPE-UHFFFAOYSA-N 1 2 282.347 0.929 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(OCC)cn2)C1 ZINC001031487499 817081467 /nfs/dbraw/zinc/08/14/67/817081467.db2.gz GOVIPKQENOFIHK-UHFFFAOYSA-N 1 2 274.324 0.313 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001031500637 817086602 /nfs/dbraw/zinc/08/66/02/817086602.db2.gz GBUWDSMXXXVIPG-UHFFFAOYSA-N 1 2 285.303 0.971 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001031712679 817277044 /nfs/dbraw/zinc/27/70/44/817277044.db2.gz GTHVHQQRRQMIAY-LBPRGKRZSA-N 1 2 299.802 0.655 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](O)C1 ZINC001083764627 817300712 /nfs/dbraw/zinc/30/07/12/817300712.db2.gz QETIFMYRQQZCII-NEPJUHHUSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](O)C1 ZINC001083764627 817300715 /nfs/dbraw/zinc/30/07/15/817300715.db2.gz QETIFMYRQQZCII-NEPJUHHUSA-N 1 2 277.324 0.035 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001127605267 817334284 /nfs/dbraw/zinc/33/42/84/817334284.db2.gz WIOMUBARAZGETB-NEPJUHHUSA-N 1 2 294.355 0.565 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001031749653 817336349 /nfs/dbraw/zinc/33/63/49/817336349.db2.gz KRWVIBQTQZPJHZ-UHFFFAOYSA-N 1 2 284.747 0.838 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307130 817360837 /nfs/dbraw/zinc/36/08/37/817360837.db2.gz VIEJFWWFCTVBFY-BBBLOLIVSA-N 1 2 296.264 0.726 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307130 817360846 /nfs/dbraw/zinc/36/08/46/817360846.db2.gz VIEJFWWFCTVBFY-BBBLOLIVSA-N 1 2 296.264 0.726 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001031825077 817396521 /nfs/dbraw/zinc/39/65/21/817396521.db2.gz FHGKVZJLJOCZTL-GFCCVEGCSA-N 1 2 286.397 0.045 20 30 CCEDLO CC(C)c1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124889927 817619639 /nfs/dbraw/zinc/61/96/39/817619639.db2.gz UVUBACKZMDJGJI-VIFPVBQESA-N 1 2 265.317 0.558 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cn(C)cn2)C1=O ZINC001272731891 817622134 /nfs/dbraw/zinc/62/21/34/817622134.db2.gz WKBSZGQIHPTWBP-OAHLLOKOSA-N 1 2 272.352 0.620 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cn(C)cn2)C1=O ZINC001272731891 817622136 /nfs/dbraw/zinc/62/21/36/817622136.db2.gz WKBSZGQIHPTWBP-OAHLLOKOSA-N 1 2 272.352 0.620 20 30 CCEDLO N#CCN1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123133 817650019 /nfs/dbraw/zinc/65/00/19/817650019.db2.gz PYBJKZPTLSCTIY-UHFFFAOYSA-N 1 2 296.334 0.452 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(F)F)nn2)C1 ZINC001107114960 817760847 /nfs/dbraw/zinc/76/08/47/817760847.db2.gz RIHPWHCLGYOHSK-UHFFFAOYSA-N 1 2 297.309 0.430 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCF)nn2)C1 ZINC001107196499 817805082 /nfs/dbraw/zinc/80/50/82/817805082.db2.gz MJDYVSIJPKVREZ-UHFFFAOYSA-N 1 2 281.335 0.687 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685720 817942202 /nfs/dbraw/zinc/94/22/02/817942202.db2.gz MZZZDZUKLDQGTH-GFCCVEGCSA-N 1 2 274.311 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685720 817942206 /nfs/dbraw/zinc/94/22/06/817942206.db2.gz MZZZDZUKLDQGTH-GFCCVEGCSA-N 1 2 274.311 0.872 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CSC)C1 ZINC001107721304 817965861 /nfs/dbraw/zinc/96/58/61/817965861.db2.gz XCOBYOBAYNFRFA-GFCCVEGCSA-N 1 2 258.387 0.743 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CSC)C1 ZINC001107721304 817965863 /nfs/dbraw/zinc/96/58/63/817965863.db2.gz XCOBYOBAYNFRFA-GFCCVEGCSA-N 1 2 258.387 0.743 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107737657 817977219 /nfs/dbraw/zinc/97/72/19/817977219.db2.gz GLGPXDSCQMHIDU-CQSZACIVSA-N 1 2 278.356 0.276 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107737657 817977220 /nfs/dbraw/zinc/97/72/20/817977220.db2.gz GLGPXDSCQMHIDU-CQSZACIVSA-N 1 2 278.356 0.276 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccon2)C1 ZINC001107773382 818000842 /nfs/dbraw/zinc/00/08/42/818000842.db2.gz MKMQORNZNNWCIT-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccon2)C1 ZINC001107773382 818000850 /nfs/dbraw/zinc/00/08/50/818000850.db2.gz MKMQORNZNNWCIT-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128245327 818128328 /nfs/dbraw/zinc/12/83/28/818128328.db2.gz LPYSRWOAUZORPL-LBPRGKRZSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128245327 818128335 /nfs/dbraw/zinc/12/83/35/818128335.db2.gz LPYSRWOAUZORPL-LBPRGKRZSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)OC)c2C1 ZINC001128245326 818129107 /nfs/dbraw/zinc/12/91/07/818129107.db2.gz LPYSRWOAUZORPL-GFCCVEGCSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)OC)c2C1 ZINC001128245326 818129113 /nfs/dbraw/zinc/12/91/13/818129113.db2.gz LPYSRWOAUZORPL-GFCCVEGCSA-N 1 2 292.383 0.926 20 30 CCEDLO CC(C)[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128273309 818147554 /nfs/dbraw/zinc/14/75/54/818147554.db2.gz DAINBSFAFLFBSU-NSHDSACASA-N 1 2 275.356 0.883 20 30 CCEDLO CC(C)[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128273309 818147560 /nfs/dbraw/zinc/14/75/60/818147560.db2.gz DAINBSFAFLFBSU-NSHDSACASA-N 1 2 275.356 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029787 818293190 /nfs/dbraw/zinc/29/31/90/818293190.db2.gz GYNRYORAFIXSIG-ZYHUDNBSSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029787 818293199 /nfs/dbraw/zinc/29/31/99/818293199.db2.gz GYNRYORAFIXSIG-ZYHUDNBSSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061548 818429741 /nfs/dbraw/zinc/42/97/41/818429741.db2.gz SDZIEXRQNYOELU-NWDGAFQWSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090061548 818429743 /nfs/dbraw/zinc/42/97/43/818429743.db2.gz SDZIEXRQNYOELU-NWDGAFQWSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001033123450 818550543 /nfs/dbraw/zinc/55/05/43/818550543.db2.gz JRRNLTDKGPWBFL-NWDGAFQWSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001033123450 818550550 /nfs/dbraw/zinc/55/05/50/818550550.db2.gz JRRNLTDKGPWBFL-NWDGAFQWSA-N 1 2 299.802 0.750 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCN(CC#N)C1 ZINC001033164521 818593118 /nfs/dbraw/zinc/59/31/18/818593118.db2.gz HITAWRASYZWUGM-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033164521 818593121 /nfs/dbraw/zinc/59/31/21/818593121.db2.gz HITAWRASYZWUGM-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1nonc1C)OCC ZINC001128527658 818607026 /nfs/dbraw/zinc/60/70/26/818607026.db2.gz BMSMWGIJTJWWHA-ZDUSSCGKSA-N 1 2 296.371 0.955 20 30 CCEDLO C#CCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358014 818738681 /nfs/dbraw/zinc/73/86/81/818738681.db2.gz MKMSWBIIEPRDAQ-HUUCEWRRSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358014 818738686 /nfs/dbraw/zinc/73/86/86/818738686.db2.gz MKMSWBIIEPRDAQ-HUUCEWRRSA-N 1 2 293.411 0.262 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001033372317 818743170 /nfs/dbraw/zinc/74/31/70/818743170.db2.gz DZDZFLIYADPZLE-JTQLQIEISA-N 1 2 296.758 0.669 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001033372317 818743175 /nfs/dbraw/zinc/74/31/75/818743175.db2.gz DZDZFLIYADPZLE-JTQLQIEISA-N 1 2 296.758 0.669 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCN(CC#N)C1 ZINC001034491640 819216336 /nfs/dbraw/zinc/21/63/36/819216336.db2.gz WWDSFANOOUJHCC-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO Cc1cc(NC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001108136417 819280749 /nfs/dbraw/zinc/28/07/49/819280749.db2.gz XFCRPQMNZYBLKX-LLVKDONJSA-N 1 2 298.350 0.566 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250324 819310663 /nfs/dbraw/zinc/31/06/63/819310663.db2.gz YXLYSDKLDDFXSQ-NXEZZACHSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250324 819310669 /nfs/dbraw/zinc/31/06/69/819310669.db2.gz YXLYSDKLDDFXSQ-NXEZZACHSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC001035285394 819449171 /nfs/dbraw/zinc/44/91/71/819449171.db2.gz ATITYUOJLYXQFI-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC001035285394 819449176 /nfs/dbraw/zinc/44/91/76/819449176.db2.gz ATITYUOJLYXQFI-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035305672 819457119 /nfs/dbraw/zinc/45/71/19/819457119.db2.gz CQQRUOJSQGSNMO-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035305672 819457122 /nfs/dbraw/zinc/45/71/22/819457122.db2.gz CQQRUOJSQGSNMO-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315813 819464773 /nfs/dbraw/zinc/46/47/73/819464773.db2.gz GKAPOAHYUFSWCX-ZDUSSCGKSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315813 819464781 /nfs/dbraw/zinc/46/47/81/819464781.db2.gz GKAPOAHYUFSWCX-ZDUSSCGKSA-N 1 2 278.356 0.520 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035320992 819468500 /nfs/dbraw/zinc/46/85/00/819468500.db2.gz VWNJQMKNXPAHOQ-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035320992 819468504 /nfs/dbraw/zinc/46/85/04/819468504.db2.gz VWNJQMKNXPAHOQ-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001035330539 819475318 /nfs/dbraw/zinc/47/53/18/819475318.db2.gz QWVGQUZFXPEHTB-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001035330539 819475320 /nfs/dbraw/zinc/47/53/20/819475320.db2.gz QWVGQUZFXPEHTB-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035333011 819476515 /nfs/dbraw/zinc/47/65/15/819476515.db2.gz YTGDJCZIHSFWTL-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035333011 819476523 /nfs/dbraw/zinc/47/65/23/819476523.db2.gz YTGDJCZIHSFWTL-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333091 819476906 /nfs/dbraw/zinc/47/69/06/819476906.db2.gz HFTPFGWTRUKWDE-CQSZACIVSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333091 819476910 /nfs/dbraw/zinc/47/69/10/819476910.db2.gz HFTPFGWTRUKWDE-CQSZACIVSA-N 1 2 291.326 0.675 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC001035424464 819512308 /nfs/dbraw/zinc/51/23/08/819512308.db2.gz SRNXZRHRFJKZBG-CYBMUJFWSA-N 1 2 296.346 0.469 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC001035424464 819512315 /nfs/dbraw/zinc/51/23/15/819512315.db2.gz SRNXZRHRFJKZBG-CYBMUJFWSA-N 1 2 296.346 0.469 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2conc2C)C1 ZINC001035493498 819547466 /nfs/dbraw/zinc/54/74/66/819547466.db2.gz KKQPMOPSUWHDIB-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2conc2C)C1 ZINC001035493498 819547472 /nfs/dbraw/zinc/54/74/72/819547472.db2.gz KKQPMOPSUWHDIB-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001035596648 819572732 /nfs/dbraw/zinc/57/27/32/819572732.db2.gz SSAIYUUBHAYIAJ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001035596648 819572739 /nfs/dbraw/zinc/57/27/39/819572739.db2.gz SSAIYUUBHAYIAJ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035607394 819587777 /nfs/dbraw/zinc/58/77/77/819587777.db2.gz QPYYLKWPZHNGFZ-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035607394 819587778 /nfs/dbraw/zinc/58/77/78/819587778.db2.gz QPYYLKWPZHNGFZ-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](O)C1 ZINC001083881582 820051472 /nfs/dbraw/zinc/05/14/72/820051472.db2.gz JWMXJSOMTJISAF-KGLIPLIRSA-N 1 2 298.346 0.361 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](O)C1 ZINC001083881582 820051486 /nfs/dbraw/zinc/05/14/86/820051486.db2.gz JWMXJSOMTJISAF-KGLIPLIRSA-N 1 2 298.346 0.361 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001083883738 820059212 /nfs/dbraw/zinc/05/92/12/820059212.db2.gz XFMSRQHIWHLMOW-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001083883738 820059220 /nfs/dbraw/zinc/05/92/20/820059220.db2.gz XFMSRQHIWHLMOW-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001083917296 820255074 /nfs/dbraw/zinc/25/50/74/820255074.db2.gz QWYJZSKMFFVQCC-NEPJUHHUSA-N 1 2 268.332 0.453 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001083917296 820255079 /nfs/dbraw/zinc/25/50/79/820255079.db2.gz QWYJZSKMFFVQCC-NEPJUHHUSA-N 1 2 268.332 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001081309143 820736340 /nfs/dbraw/zinc/73/63/40/820736340.db2.gz WTPMANFXPJHUMB-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001081309143 820736346 /nfs/dbraw/zinc/73/63/46/820736346.db2.gz WTPMANFXPJHUMB-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@H](OC)C1 ZINC001081654408 820812093 /nfs/dbraw/zinc/81/20/93/820812093.db2.gz UVILAZJGIOFOKF-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@H](OC)C1 ZINC001081654408 820812098 /nfs/dbraw/zinc/81/20/98/820812098.db2.gz UVILAZJGIOFOKF-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H](OC)C1 ZINC001081730414 820823647 /nfs/dbraw/zinc/82/36/47/820823647.db2.gz KOUZMGCRVXRBHQ-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H](OC)C1 ZINC001081730414 820823654 /nfs/dbraw/zinc/82/36/54/820823654.db2.gz KOUZMGCRVXRBHQ-GHMZBOCLSA-N 1 2 296.758 0.136 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@H](OC)C1 ZINC001082200238 820912285 /nfs/dbraw/zinc/91/22/85/820912285.db2.gz XLFJPANUQFVKGQ-ZIAGYGMSSA-N 1 2 290.367 0.355 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@H](OC)C1 ZINC001082200238 820912291 /nfs/dbraw/zinc/91/22/91/820912291.db2.gz XLFJPANUQFVKGQ-ZIAGYGMSSA-N 1 2 290.367 0.355 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@H](OC)C1 ZINC001082163788 820912523 /nfs/dbraw/zinc/91/25/23/820912523.db2.gz JNBSGLKTIHHZOD-TZMCWYRMSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@H](OC)C1 ZINC001082163788 820912527 /nfs/dbraw/zinc/91/25/27/820912527.db2.gz JNBSGLKTIHHZOD-TZMCWYRMSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@H](OC)C1 ZINC001082366432 820946416 /nfs/dbraw/zinc/94/64/16/820946416.db2.gz CFMVNKWTMFLHGO-CHWSQXEVSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@H](OC)C1 ZINC001082366432 820946421 /nfs/dbraw/zinc/94/64/21/820946421.db2.gz CFMVNKWTMFLHGO-CHWSQXEVSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@H](OC)C1 ZINC001082387563 820953625 /nfs/dbraw/zinc/95/36/25/820953625.db2.gz JBTQUNGAMHXQBT-VXGBXAGGSA-N 1 2 293.392 0.822 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@H](OC)C1 ZINC001082387563 820953630 /nfs/dbraw/zinc/95/36/30/820953630.db2.gz JBTQUNGAMHXQBT-VXGBXAGGSA-N 1 2 293.392 0.822 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H](CO)[C@H](O)C3)c2c1 ZINC001164538467 820958166 /nfs/dbraw/zinc/95/81/66/820958166.db2.gz JMFLBPLXRHEDPR-TZMCWYRMSA-N 1 2 269.304 0.896 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082993186 821096851 /nfs/dbraw/zinc/09/68/51/821096851.db2.gz KEBFNBYHBRIVEM-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082993186 821096858 /nfs/dbraw/zinc/09/68/58/821096858.db2.gz KEBFNBYHBRIVEM-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082992964 821098170 /nfs/dbraw/zinc/09/81/70/821098170.db2.gz ZFQMQZNJRFWHEZ-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082992964 821098174 /nfs/dbraw/zinc/09/81/74/821098174.db2.gz ZFQMQZNJRFWHEZ-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)ccn3)[C@H]2C1 ZINC001083091825 821140491 /nfs/dbraw/zinc/14/04/91/821140491.db2.gz FQBTWSSPCJNKPS-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)ccn3)[C@H]2C1 ZINC001083091825 821140499 /nfs/dbraw/zinc/14/04/99/821140499.db2.gz FQBTWSSPCJNKPS-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccncc3)[C@H]2C1 ZINC001083127909 821142291 /nfs/dbraw/zinc/14/22/91/821142291.db2.gz LULLGOKVTLNMAF-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccncc3)[C@H]2C1 ZINC001083127909 821142294 /nfs/dbraw/zinc/14/22/94/821142294.db2.gz LULLGOKVTLNMAF-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@@H](O)C1 ZINC001084108422 821202092 /nfs/dbraw/zinc/20/20/92/821202092.db2.gz RURKLXHVSRBJRL-SOLBZPMBSA-N 1 2 298.386 0.685 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@@H](O)C1 ZINC001084108422 821202101 /nfs/dbraw/zinc/20/21/01/821202101.db2.gz RURKLXHVSRBJRL-SOLBZPMBSA-N 1 2 298.386 0.685 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575295 821317541 /nfs/dbraw/zinc/31/75/41/821317541.db2.gz BCQQYWKUGUDASP-GRYCIOLGSA-N 1 2 297.786 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084575295 821317551 /nfs/dbraw/zinc/31/75/51/821317551.db2.gz BCQQYWKUGUDASP-GRYCIOLGSA-N 1 2 297.786 0.408 20 30 CCEDLO C#CC(C)(C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001273250741 821454811 /nfs/dbraw/zinc/45/48/11/821454811.db2.gz XMNRURDANKESSV-GHMZBOCLSA-N 1 2 288.351 0.107 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231087758 821490192 /nfs/dbraw/zinc/49/01/92/821490192.db2.gz VMOQKKQORAYPAU-JSGCOSHPSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231087758 821490199 /nfs/dbraw/zinc/49/01/99/821490199.db2.gz VMOQKKQORAYPAU-JSGCOSHPSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2nccnc2N)C1=O ZINC001273273851 821544896 /nfs/dbraw/zinc/54/48/96/821544896.db2.gz DKUNKQSAQLCPQC-OAHLLOKOSA-N 1 2 287.367 0.812 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2nccnc2N)C1=O ZINC001273273851 821544901 /nfs/dbraw/zinc/54/49/01/821544901.db2.gz DKUNKQSAQLCPQC-OAHLLOKOSA-N 1 2 287.367 0.812 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001098306840 821666437 /nfs/dbraw/zinc/66/64/37/821666437.db2.gz OLEXYUVMXJDUNJ-SNVBAGLBSA-N 1 2 299.338 0.539 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ncccc1O)C2 ZINC001273325644 821679757 /nfs/dbraw/zinc/67/97/57/821679757.db2.gz OUIHFKBUVJNNMG-UHFFFAOYSA-N 1 2 289.335 0.386 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085467862 821722479 /nfs/dbraw/zinc/72/24/79/821722479.db2.gz CMRLHMAVNOWEQN-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085467862 821722485 /nfs/dbraw/zinc/72/24/85/821722485.db2.gz CMRLHMAVNOWEQN-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085500377 821747087 /nfs/dbraw/zinc/74/70/87/821747087.db2.gz AEORICOSYOEDLV-ZDUSSCGKSA-N 1 2 274.368 0.898 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085500377 821747091 /nfs/dbraw/zinc/74/70/91/821747091.db2.gz AEORICOSYOEDLV-ZDUSSCGKSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085546467 821779881 /nfs/dbraw/zinc/77/98/81/821779881.db2.gz ZFORNZMTKWDHQI-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085546467 821779886 /nfs/dbraw/zinc/77/98/86/821779886.db2.gz ZFORNZMTKWDHQI-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556517 821789082 /nfs/dbraw/zinc/78/90/82/821789082.db2.gz SJKFZQVZVFYXSW-SNVBAGLBSA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556517 821789089 /nfs/dbraw/zinc/78/90/89/821789089.db2.gz SJKFZQVZVFYXSW-SNVBAGLBSA-N 1 2 263.297 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085565736 821797646 /nfs/dbraw/zinc/79/76/46/821797646.db2.gz RKPQLCSQVTWJBE-AWEZNQCLSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085565736 821797648 /nfs/dbraw/zinc/79/76/48/821797648.db2.gz RKPQLCSQVTWJBE-AWEZNQCLSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(N(C)C)cn1 ZINC001085596298 821837444 /nfs/dbraw/zinc/83/74/44/821837444.db2.gz ZDSRHXDJJZEUHT-GFCCVEGCSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(N(C)C)cn1 ZINC001085596298 821837450 /nfs/dbraw/zinc/83/74/50/821837450.db2.gz ZDSRHXDJJZEUHT-GFCCVEGCSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600521 821845116 /nfs/dbraw/zinc/84/51/16/821845116.db2.gz VQNMQFIJLNOLOR-ZDUSSCGKSA-N 1 2 287.367 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600521 821845124 /nfs/dbraw/zinc/84/51/24/821845124.db2.gz VQNMQFIJLNOLOR-ZDUSSCGKSA-N 1 2 287.367 0.783 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676850 821888213 /nfs/dbraw/zinc/88/82/13/821888213.db2.gz ZMIOFPLUONCPFI-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085713975 821914894 /nfs/dbraw/zinc/91/48/94/821914894.db2.gz XXOPLXLJMAOZLY-CYBMUJFWSA-N 1 2 287.363 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085713975 821914897 /nfs/dbraw/zinc/91/48/97/821914897.db2.gz XXOPLXLJMAOZLY-CYBMUJFWSA-N 1 2 287.363 0.555 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727078 821919691 /nfs/dbraw/zinc/91/96/91/821919691.db2.gz OINVIDWQSMARBI-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727078 821919698 /nfs/dbraw/zinc/91/96/98/821919698.db2.gz OINVIDWQSMARBI-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cccnn21 ZINC001085860898 821985192 /nfs/dbraw/zinc/98/51/92/821985192.db2.gz KUHQBQADAGRJJK-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cccnn21 ZINC001085860898 821985199 /nfs/dbraw/zinc/98/51/99/821985199.db2.gz KUHQBQADAGRJJK-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccn1 ZINC001085886606 822001425 /nfs/dbraw/zinc/00/14/25/822001425.db2.gz DYFKEDNLDQIHFC-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccn1 ZINC001085886606 822001433 /nfs/dbraw/zinc/00/14/33/822001433.db2.gz DYFKEDNLDQIHFC-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890285 822001643 /nfs/dbraw/zinc/00/16/43/822001643.db2.gz UWLCRNREFNXROI-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890285 822001646 /nfs/dbraw/zinc/00/16/46/822001646.db2.gz UWLCRNREFNXROI-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085909110 822012846 /nfs/dbraw/zinc/01/28/46/822012846.db2.gz ASVMAQOKWAEITR-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085909110 822012851 /nfs/dbraw/zinc/01/28/51/822012851.db2.gz ASVMAQOKWAEITR-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccncc1C#N ZINC001100042522 822151535 /nfs/dbraw/zinc/15/15/35/822151535.db2.gz CUXHGJCYQBWXQR-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)nn2)C1 ZINC001108309883 822352500 /nfs/dbraw/zinc/35/25/00/822352500.db2.gz CAQAFXQNIRYXOP-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)nn2)C1 ZINC001108309883 822352510 /nfs/dbraw/zinc/35/25/10/822352510.db2.gz CAQAFXQNIRYXOP-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114006409 837401522 /nfs/dbraw/zinc/40/15/22/837401522.db2.gz ZYXRTRQSTDKCOW-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114006409 837401526 /nfs/dbraw/zinc/40/15/26/837401526.db2.gz ZYXRTRQSTDKCOW-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114051063 837417546 /nfs/dbraw/zinc/41/75/46/837417546.db2.gz NWBYCMNPKXLRSL-NHAGDIPZSA-N 1 2 291.351 0.732 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114051063 837417550 /nfs/dbraw/zinc/41/75/50/837417550.db2.gz NWBYCMNPKXLRSL-NHAGDIPZSA-N 1 2 291.351 0.732 20 30 CCEDLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114063428 837423877 /nfs/dbraw/zinc/42/38/77/837423877.db2.gz CLZUMUVANHXCFQ-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114063428 837423883 /nfs/dbraw/zinc/42/38/83/837423883.db2.gz CLZUMUVANHXCFQ-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO C[C@H](c1ncccn1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114256195 837490370 /nfs/dbraw/zinc/49/03/70/837490370.db2.gz WEZGACLCHVAMFW-UYHMYPTGSA-N 1 2 296.374 0.997 20 30 CCEDLO C[C@H](c1ncccn1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114256195 837490375 /nfs/dbraw/zinc/49/03/75/837490375.db2.gz WEZGACLCHVAMFW-UYHMYPTGSA-N 1 2 296.374 0.997 20 30 CCEDLO CC#CCN1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439775 836109870 /nfs/dbraw/zinc/10/98/70/836109870.db2.gz UJGQLRFDRIICOJ-OAHLLOKOSA-N 1 2 290.367 0.114 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nonc2C)C1 ZINC001108439523 836110077 /nfs/dbraw/zinc/11/00/77/836110077.db2.gz MMRBXXOHPKFJRQ-ZDUSSCGKSA-N 1 2 280.328 0.385 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nonc2C)C1 ZINC001108439523 836110084 /nfs/dbraw/zinc/11/00/84/836110084.db2.gz MMRBXXOHPKFJRQ-ZDUSSCGKSA-N 1 2 280.328 0.385 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)nc(Cl)c2C#N)C[NH2+]1 ZINC001169128896 836143422 /nfs/dbraw/zinc/14/34/22/836143422.db2.gz GIRQTEMROHQEIP-APPZFPTMSA-N 1 2 295.730 0.626 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)c(Cl)cn2)C[NH2+]1 ZINC001169130586 836146318 /nfs/dbraw/zinc/14/63/18/836146318.db2.gz ZVKAOZCANTVNNU-SCZZXKLOSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC001169131971 836147445 /nfs/dbraw/zinc/14/74/45/836147445.db2.gz ADYFOMJRWYEOAQ-KOLCDFICSA-N 1 2 290.279 0.782 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc(/C=N/O)c2)C[NH2+]1 ZINC001169132327 836148388 /nfs/dbraw/zinc/14/83/88/836148388.db2.gz KPRIECXTFVUJIJ-FEYXSHCWSA-N 1 2 263.297 0.810 20 30 CCEDLO CCOC(=O)c1ccc(C)c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320877 836282129 /nfs/dbraw/zinc/28/21/29/836282129.db2.gz GOBYNFQONFIMSV-NSHDSACASA-N 1 2 274.324 0.869 20 30 CCEDLO CCN(CC)C(=O)C[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001169462824 836297630 /nfs/dbraw/zinc/29/76/30/836297630.db2.gz HPQIQTSTFJPJNJ-RYUDHWBXSA-N 1 2 252.362 0.431 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CSC)CC2=O)C1 ZINC001108502940 836326106 /nfs/dbraw/zinc/32/61/06/836326106.db2.gz UUXVHFRPXRMYSZ-LLVKDONJSA-N 1 2 297.424 0.327 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001109015138 836598842 /nfs/dbraw/zinc/59/88/42/836598842.db2.gz VZSMUUJKLIHULR-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO C/C=C(/C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109129890 836622914 /nfs/dbraw/zinc/62/29/14/836622914.db2.gz NALUZLRAERJMLY-NRWZMNKUSA-N 1 2 290.367 0.314 20 30 CCEDLO C/C=C(/C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109129890 836622916 /nfs/dbraw/zinc/62/29/16/836622916.db2.gz NALUZLRAERJMLY-NRWZMNKUSA-N 1 2 290.367 0.314 20 30 CCEDLO CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001109472313 836689013 /nfs/dbraw/zinc/68/90/13/836689013.db2.gz GDOGFIZYLRVYKG-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001112601305 836812984 /nfs/dbraw/zinc/81/29/84/836812984.db2.gz MZHKGQWYMKKWLN-UHFFFAOYSA-N 1 2 291.351 0.280 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)CCC)CC1 ZINC001112660556 836848862 /nfs/dbraw/zinc/84/88/62/836848862.db2.gz GOYUAJJNSSFQIG-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001112687965 836864006 /nfs/dbraw/zinc/86/40/06/836864006.db2.gz AGKOSUGXIIERNW-UHFFFAOYSA-N 1 2 280.372 0.122 20 30 CCEDLO CC(C)COCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112710477 836880802 /nfs/dbraw/zinc/88/08/02/836880802.db2.gz BUHFULUEUQPAHO-ZDUSSCGKSA-N 1 2 267.373 0.963 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001113176724 837043550 /nfs/dbraw/zinc/04/35/50/837043550.db2.gz NYVNLRDMONMYPW-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1nccnc1C#N ZINC001113644804 837187378 /nfs/dbraw/zinc/18/73/78/837187378.db2.gz JWFYCEBKGBLBHB-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001113742418 837210624 /nfs/dbraw/zinc/21/06/24/837210624.db2.gz ZSOZCJCWFXXECL-GFCCVEGCSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170268114 837279063 /nfs/dbraw/zinc/27/90/63/837279063.db2.gz IBBSZBVPAINSPN-CQSZACIVSA-N 1 2 261.325 0.876 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130930649 837957080 /nfs/dbraw/zinc/95/70/80/837957080.db2.gz AWOOJFQLGZVCHZ-CHWSQXEVSA-N 1 2 287.367 0.794 20 30 CCEDLO C=CCCC[N@@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001273493549 844305353 /nfs/dbraw/zinc/30/53/53/844305353.db2.gz YZFADKFYJPNCGJ-UONOGXRCSA-N 1 2 286.322 0.926 20 30 CCEDLO C=CCCC[N@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001273493549 844305362 /nfs/dbraw/zinc/30/53/62/844305362.db2.gz YZFADKFYJPNCGJ-UONOGXRCSA-N 1 2 286.322 0.926 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033424 838302741 /nfs/dbraw/zinc/30/27/41/838302741.db2.gz GBNYEZKKFLXCNJ-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033424 838302747 /nfs/dbraw/zinc/30/27/47/838302747.db2.gz GBNYEZKKFLXCNJ-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CN1CC#N ZINC001132087063 838318059 /nfs/dbraw/zinc/31/80/59/838318059.db2.gz LXNRBZHCTYEDMM-YPMHNXCESA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CN1CC#N ZINC001132087063 838318069 /nfs/dbraw/zinc/31/80/69/838318069.db2.gz LXNRBZHCTYEDMM-YPMHNXCESA-N 1 2 275.356 0.835 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)CC[C@@H]1C ZINC001132141976 838328680 /nfs/dbraw/zinc/32/86/80/838328680.db2.gz WIAXZWGGMVBICX-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)CC[C@@H]1C ZINC001132141976 838328687 /nfs/dbraw/zinc/32/86/87/838328687.db2.gz WIAXZWGGMVBICX-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132530318 838424405 /nfs/dbraw/zinc/42/44/05/838424405.db2.gz WPBGYPYEEGJJFV-NWDGAFQWSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132530318 838424410 /nfs/dbraw/zinc/42/44/10/838424410.db2.gz WPBGYPYEEGJJFV-NWDGAFQWSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132573484 838439760 /nfs/dbraw/zinc/43/97/60/838439760.db2.gz OKKLDGXCZFMADG-ZJUUUORDSA-N 1 2 252.318 0.734 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001134058208 838847489 /nfs/dbraw/zinc/84/74/89/838847489.db2.gz FBZCRHWBCAQNHM-MNOVXSKESA-N 1 2 280.328 0.175 20 30 CCEDLO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408164 839240625 /nfs/dbraw/zinc/24/06/25/839240625.db2.gz TYGOQPAIPOZAMF-WDEREUQCSA-N 1 2 296.346 0.685 20 30 CCEDLO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135407831 839241753 /nfs/dbraw/zinc/24/17/53/839241753.db2.gz OAKYYVQVGJJIMJ-IUCAKERBSA-N 1 2 252.293 0.669 20 30 CCEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)NCC#N ZINC001136052947 839509534 /nfs/dbraw/zinc/50/95/34/839509534.db2.gz YTADKWKXQLDFJX-NEPJUHHUSA-N 1 2 277.372 0.749 20 30 CCEDLO C=CC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001144019361 839915658 /nfs/dbraw/zinc/91/56/58/839915658.db2.gz CACGFCLXHCTYOV-WDEREUQCSA-N 1 2 254.330 0.514 20 30 CCEDLO C=CC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001144019361 839915664 /nfs/dbraw/zinc/91/56/64/839915664.db2.gz CACGFCLXHCTYOV-WDEREUQCSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C(C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC)C(F)(F)F ZINC001144209742 839976803 /nfs/dbraw/zinc/97/68/03/839976803.db2.gz QREDDIVKKZTXGN-MRVPVSSYSA-N 1 2 280.246 0.421 20 30 CCEDLO C=C(C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC)C(F)(F)F ZINC001144209742 839976810 /nfs/dbraw/zinc/97/68/10/839976810.db2.gz QREDDIVKKZTXGN-MRVPVSSYSA-N 1 2 280.246 0.421 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001149117237 840252716 /nfs/dbraw/zinc/25/27/16/840252716.db2.gz DGGROIQFDPVARX-UHFFFAOYSA-N 1 2 294.358 0.906 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001149117707 840254606 /nfs/dbraw/zinc/25/46/06/840254606.db2.gz PAHDDVBUQFYAEQ-UHFFFAOYSA-N 1 2 298.346 0.808 20 30 CCEDLO Cc1cc(NCCNC(=O)CCc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001093582556 841350548 /nfs/dbraw/zinc/35/05/48/841350548.db2.gz XGCHMOQWLGRFKL-UHFFFAOYSA-N 1 2 298.350 0.568 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001093750266 841449673 /nfs/dbraw/zinc/44/96/73/841449673.db2.gz SUDFHJGUPHXKEY-UHFFFAOYSA-N 1 2 299.338 0.161 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001094024499 841512960 /nfs/dbraw/zinc/51/29/60/841512960.db2.gz HDVHSKXKAMCOIF-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO Cc1cc(NCCNC(=O)CCn2cc[nH+]c2)c(C#N)cn1 ZINC001094024704 841513026 /nfs/dbraw/zinc/51/30/26/841513026.db2.gz SSBGLJUAXRSRPV-UHFFFAOYSA-N 1 2 298.350 0.499 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CC3)nn2)C1 ZINC001094265769 841574190 /nfs/dbraw/zinc/57/41/90/841574190.db2.gz CMSXOUUZDHTPMW-UHFFFAOYSA-N 1 2 261.329 0.347 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001094688817 841702545 /nfs/dbraw/zinc/70/25/45/841702545.db2.gz CZBJPCMYUZYFFX-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO Cc1cc(C#N)nc(NCCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094809066 841728036 /nfs/dbraw/zinc/72/80/36/841728036.db2.gz VIWZEMPYKMOOEN-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150141235 842012117 /nfs/dbraw/zinc/01/21/17/842012117.db2.gz YRBKKIQDXFWDNI-OLZOCXBDSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150141235 842012131 /nfs/dbraw/zinc/01/21/31/842012131.db2.gz YRBKKIQDXFWDNI-OLZOCXBDSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)c2ccc[nH]2)CC1 ZINC001175536602 842259006 /nfs/dbraw/zinc/25/90/06/842259006.db2.gz COCBMYZIOOYAJQ-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876304 842435648 /nfs/dbraw/zinc/43/56/48/842435648.db2.gz MOHUKUBDIBTOQJ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876304 842435653 /nfs/dbraw/zinc/43/56/53/842435653.db2.gz MOHUKUBDIBTOQJ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCC=C)C[C@@H]21 ZINC001176949695 842466662 /nfs/dbraw/zinc/46/66/62/842466662.db2.gz RHFRDODTHKHBEU-GJZGRUSLSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC=C)C[C@@H]21 ZINC001176949695 842466668 /nfs/dbraw/zinc/46/66/68/842466668.db2.gz RHFRDODTHKHBEU-GJZGRUSLSA-N 1 2 292.379 0.514 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176970306 842473440 /nfs/dbraw/zinc/47/34/40/842473440.db2.gz LTQBNCXGFQPQAR-OLZOCXBDSA-N 1 2 275.352 0.961 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 ZINC001176994889 842480408 /nfs/dbraw/zinc/48/04/08/842480408.db2.gz QVWLWQZSADGZQD-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 ZINC001176994889 842480418 /nfs/dbraw/zinc/48/04/18/842480418.db2.gz QVWLWQZSADGZQD-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO CO/N=C(\C(=O)NCCc1[nH+]ccn1C)c1ccco1 ZINC001177356498 842563987 /nfs/dbraw/zinc/56/39/87/842563987.db2.gz ZGKXHVXHMQEGQZ-VBKFSLOCSA-N 1 2 276.296 0.723 20 30 CCEDLO COc1ccc(C(=NC(=O)CCc2[nH]cc[nH+]2)NO)nc1 ZINC001177998311 842720187 /nfs/dbraw/zinc/72/01/87/842720187.db2.gz QMWQOWAGOGGJEG-UHFFFAOYSA-N 1 2 289.295 0.698 20 30 CCEDLO N#Cc1c(N)nn(C(=O)[C@H]2CCc3[nH+]ccn3C2)c1N ZINC001178100671 842754201 /nfs/dbraw/zinc/75/42/01/842754201.db2.gz BVXSRTSHIXBUDJ-ZETCQYMHSA-N 1 2 271.284 0.018 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001178802550 842919944 /nfs/dbraw/zinc/91/99/44/842919944.db2.gz MRYLZMNWPKCCKS-RYUDHWBXSA-N 1 2 292.387 0.645 20 30 CCEDLO C=CCSCC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001180561776 843208847 /nfs/dbraw/zinc/20/88/47/843208847.db2.gz YKLQAOHAWRTYGQ-UHFFFAOYSA-N 1 2 256.371 0.354 20 30 CCEDLO CC(C)C[C@H](NC(=O)Cc1cc[nH+]c(N)c1)C(=O)NO ZINC001181277128 843440292 /nfs/dbraw/zinc/44/02/92/843440292.db2.gz OBRURZZMDNMFSH-JTQLQIEISA-N 1 2 280.328 0.243 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC)C2 ZINC001110296579 843822732 /nfs/dbraw/zinc/82/27/32/843822732.db2.gz PRYCBCCMYABXBX-SYQHCUMBSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC)C2 ZINC001110296579 843822735 /nfs/dbraw/zinc/82/27/35/843822735.db2.gz PRYCBCCMYABXBX-SYQHCUMBSA-N 1 2 291.395 0.503 20 30 CCEDLO N#Cc1c(N)nn(C(=O)c2ccccc2-n2cc[nH+]c2)c1N ZINC001190075376 845325844 /nfs/dbraw/zinc/32/58/44/845325844.db2.gz QZEKURMBWFSVCV-UHFFFAOYSA-N 1 2 293.290 0.793 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1F ZINC001190555326 845426196 /nfs/dbraw/zinc/42/61/96/845426196.db2.gz VEOLSINRZQZXFJ-LLVKDONJSA-N 1 2 288.282 0.754 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1F ZINC001190555326 845426201 /nfs/dbraw/zinc/42/62/01/845426201.db2.gz VEOLSINRZQZXFJ-LLVKDONJSA-N 1 2 288.282 0.754 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191156181 845598999 /nfs/dbraw/zinc/59/89/99/845598999.db2.gz GMBNIQIWUWALIK-BSANDHCLSA-N 1 2 289.788 0.157 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191156181 845599004 /nfs/dbraw/zinc/59/90/04/845599004.db2.gz GMBNIQIWUWALIK-BSANDHCLSA-N 1 2 289.788 0.157 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001191622117 845696469 /nfs/dbraw/zinc/69/64/69/845696469.db2.gz DBRYFMWUNMVGRZ-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001191622117 845696475 /nfs/dbraw/zinc/69/64/75/845696475.db2.gz DBRYFMWUNMVGRZ-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001192053710 845783261 /nfs/dbraw/zinc/78/32/61/845783261.db2.gz DGYNNZJMZKNXKV-VXGBXAGGSA-N 1 2 274.336 0.100 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001192053710 845783263 /nfs/dbraw/zinc/78/32/63/845783263.db2.gz DGYNNZJMZKNXKV-VXGBXAGGSA-N 1 2 274.336 0.100 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 ZINC001192155000 845794227 /nfs/dbraw/zinc/79/42/27/845794227.db2.gz NIGHITJFJNKYAG-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 ZINC001192155000 845794235 /nfs/dbraw/zinc/79/42/35/845794235.db2.gz NIGHITJFJNKYAG-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)OCC ZINC001193422454 846077291 /nfs/dbraw/zinc/07/72/91/846077291.db2.gz RSLCSLWKKCKSKZ-JHJVBQTASA-N 1 2 288.363 0.489 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)OCC ZINC001193422454 846077296 /nfs/dbraw/zinc/07/72/96/846077296.db2.gz RSLCSLWKKCKSKZ-JHJVBQTASA-N 1 2 288.363 0.489 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001195312929 846502584 /nfs/dbraw/zinc/50/25/84/846502584.db2.gz XZXLAHURSPEUSZ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001195312929 846502593 /nfs/dbraw/zinc/50/25/93/846502593.db2.gz XZXLAHURSPEUSZ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195443917 846532012 /nfs/dbraw/zinc/53/20/12/846532012.db2.gz MAJZDFSXBWCTNH-PLNGDYQASA-N 1 2 290.367 0.127 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195443917 846532022 /nfs/dbraw/zinc/53/20/22/846532022.db2.gz MAJZDFSXBWCTNH-PLNGDYQASA-N 1 2 290.367 0.127 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311037 846790580 /nfs/dbraw/zinc/79/05/80/846790580.db2.gz HGPOJIQIHCLGJE-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311037 846790585 /nfs/dbraw/zinc/79/05/85/846790585.db2.gz HGPOJIQIHCLGJE-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114311037 846790589 /nfs/dbraw/zinc/79/05/89/846790589.db2.gz HGPOJIQIHCLGJE-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114311037 846790591 /nfs/dbraw/zinc/79/05/91/846790591.db2.gz HGPOJIQIHCLGJE-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196889313 846811339 /nfs/dbraw/zinc/81/13/39/846811339.db2.gz BHSFLKWFEVYNGN-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196889313 846811344 /nfs/dbraw/zinc/81/13/44/846811344.db2.gz BHSFLKWFEVYNGN-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001196910273 846818830 /nfs/dbraw/zinc/81/88/30/846818830.db2.gz LSHTUDBPDBMGJG-HNNXBMFYSA-N 1 2 298.358 0.299 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001196910273 846818839 /nfs/dbraw/zinc/81/88/39/846818839.db2.gz LSHTUDBPDBMGJG-HNNXBMFYSA-N 1 2 298.358 0.299 20 30 CCEDLO N#CCCCN1CC2(C[NH+](CCCCF)C2)OCC1=O ZINC001273755789 847007469 /nfs/dbraw/zinc/00/74/69/847007469.db2.gz UGGJSZSXWLNQAS-UHFFFAOYSA-N 1 2 283.347 0.953 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001198345021 847092471 /nfs/dbraw/zinc/09/24/71/847092471.db2.gz YXZYHOQVECLRHZ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001198345021 847092476 /nfs/dbraw/zinc/09/24/76/847092476.db2.gz YXZYHOQVECLRHZ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(Oc2ccccc2)C1 ZINC001251848123 847196963 /nfs/dbraw/zinc/19/69/63/847196963.db2.gz UKVDHABCUAVAOC-ZDUSSCGKSA-N 1 2 261.321 0.760 20 30 CCEDLO N#CCNC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200649279 847678507 /nfs/dbraw/zinc/67/85/07/847678507.db2.gz ZRUQIJYRIDBHAI-ZDUSSCGKSA-N 1 2 291.355 0.073 20 30 CCEDLO N#CCNC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200649279 847678519 /nfs/dbraw/zinc/67/85/19/847678519.db2.gz ZRUQIJYRIDBHAI-ZDUSSCGKSA-N 1 2 291.355 0.073 20 30 CCEDLO N#CCNC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104806 847722834 /nfs/dbraw/zinc/72/28/34/847722834.db2.gz UHQCLYVWMYIKGP-CYBMUJFWSA-N 1 2 291.355 0.004 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N ZINC001273910054 847818874 /nfs/dbraw/zinc/81/88/74/847818874.db2.gz MBBIEIPRDOHOMA-RXNFCKPNSA-N 1 2 290.371 0.781 20 30 CCEDLO CCOCC[NH+]1CC2(C1)COCC(=O)N2CCCC#N ZINC001273954086 847942193 /nfs/dbraw/zinc/94/21/93/847942193.db2.gz JTZIZGMPHMWFQO-UHFFFAOYSA-N 1 2 281.356 0.240 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+]2COCCOC)C1=O ZINC001273990476 848212445 /nfs/dbraw/zinc/21/24/45/848212445.db2.gz OHQCRZLMZDVMNX-CQSZACIVSA-N 1 2 268.357 0.860 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+]2COCCOC)C1=O ZINC001273990476 848212455 /nfs/dbraw/zinc/21/24/55/848212455.db2.gz OHQCRZLMZDVMNX-CQSZACIVSA-N 1 2 268.357 0.860 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)no1)C2 ZINC001095339441 848251175 /nfs/dbraw/zinc/25/11/75/848251175.db2.gz TXKYZTGDIXHQAA-VWYCJHECSA-N 1 2 275.308 0.652 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)no1)C2 ZINC001095339441 848251187 /nfs/dbraw/zinc/25/11/87/848251187.db2.gz TXKYZTGDIXHQAA-VWYCJHECSA-N 1 2 275.308 0.652 20 30 CCEDLO N#CCCCC[N@@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001274044827 848317586 /nfs/dbraw/zinc/31/75/86/848317586.db2.gz BSCWMMJFMWVTIU-UONOGXRCSA-N 1 2 299.321 0.653 20 30 CCEDLO N#CCCCC[N@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001274044827 848317591 /nfs/dbraw/zinc/31/75/91/848317591.db2.gz BSCWMMJFMWVTIU-UONOGXRCSA-N 1 2 299.321 0.653 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H](C1)O2 ZINC001274209637 848375248 /nfs/dbraw/zinc/37/52/48/848375248.db2.gz DSQBHKMIAZYHBP-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H](C1)O2 ZINC001274209637 848375254 /nfs/dbraw/zinc/37/52/54/848375254.db2.gz DSQBHKMIAZYHBP-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C=CCN1CC2(CN(Cc3c[nH+]c(C)[nH]3)C2)OCC1=O ZINC001274575390 848509641 /nfs/dbraw/zinc/50/96/41/848509641.db2.gz FJZSNNVNWCZSKX-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO C=CCN1CC2(CN(Cc3c[nH]c(C)[nH+]3)C2)OCC1=O ZINC001274575390 848509646 /nfs/dbraw/zinc/50/96/46/848509646.db2.gz FJZSNNVNWCZSKX-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO C=CCN1C(=O)COCC12CN(c1cccc[nH+]1)C2 ZINC001274739398 848556481 /nfs/dbraw/zinc/55/64/81/848556481.db2.gz IPLPSTVOWHZBPZ-UHFFFAOYSA-N 1 2 259.309 0.685 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001276209018 848963049 /nfs/dbraw/zinc/96/30/49/848963049.db2.gz NQQPKAAYYKSYLR-CQSZACIVSA-N 1 2 294.403 0.751 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC001111112212 849071470 /nfs/dbraw/zinc/07/14/70/849071470.db2.gz DFQRHBYATIAVBF-UTUOFQBUSA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC001111112212 849071481 /nfs/dbraw/zinc/07/14/81/849071481.db2.gz DFQRHBYATIAVBF-UTUOFQBUSA-N 1 2 299.802 0.939 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO ZINC000687594574 849123484 /nfs/dbraw/zinc/12/34/84/849123484.db2.gz MAFGNAPDOPIYDE-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO ZINC000687594574 849123486 /nfs/dbraw/zinc/12/34/86/849123486.db2.gz MAFGNAPDOPIYDE-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nnn1CC ZINC001038326997 849851913 /nfs/dbraw/zinc/85/19/13/849851913.db2.gz XOEPSZKFWANGBJ-NSHDSACASA-N 1 2 261.329 0.044 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nnn1CC ZINC001038326997 849851918 /nfs/dbraw/zinc/85/19/18/849851918.db2.gz XOEPSZKFWANGBJ-NSHDSACASA-N 1 2 261.329 0.044 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038423771 849888352 /nfs/dbraw/zinc/88/83/52/849888352.db2.gz FORXEWWSPSEYEX-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038423771 849888349 /nfs/dbraw/zinc/88/83/49/849888349.db2.gz FORXEWWSPSEYEX-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001038447992 849901802 /nfs/dbraw/zinc/90/18/02/849901802.db2.gz JLWBCUJCVHNMJR-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001038447992 849901808 /nfs/dbraw/zinc/90/18/08/849901808.db2.gz JLWBCUJCVHNMJR-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001038546533 849938389 /nfs/dbraw/zinc/93/83/89/849938389.db2.gz PFPLLZGLEGTFKG-LLVKDONJSA-N 1 2 297.362 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001038546533 849938394 /nfs/dbraw/zinc/93/83/94/849938394.db2.gz PFPLLZGLEGTFKG-LLVKDONJSA-N 1 2 297.362 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001038555431 849939793 /nfs/dbraw/zinc/93/97/93/849939793.db2.gz PZWFLGXLUHQMQC-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001038555431 849939804 /nfs/dbraw/zinc/93/98/04/849939804.db2.gz PZWFLGXLUHQMQC-LSDHHAIUSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735735 849994717 /nfs/dbraw/zinc/99/47/17/849994717.db2.gz JRCKTFVREZYMOD-LLVKDONJSA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735735 849994725 /nfs/dbraw/zinc/99/47/25/849994725.db2.gz JRCKTFVREZYMOD-LLVKDONJSA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001038770777 850011359 /nfs/dbraw/zinc/01/13/59/850011359.db2.gz WAFSCHGHHUJRKG-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001038770777 850011364 /nfs/dbraw/zinc/01/13/64/850011364.db2.gz WAFSCHGHHUJRKG-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001038815874 850024556 /nfs/dbraw/zinc/02/45/56/850024556.db2.gz ULZVZQIXXGKCQV-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001038815874 850024560 /nfs/dbraw/zinc/02/45/60/850024560.db2.gz ULZVZQIXXGKCQV-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001038824630 850029398 /nfs/dbraw/zinc/02/93/98/850029398.db2.gz ANUDEGJVTXITLB-GFCCVEGCSA-N 1 2 291.351 0.906 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001038824630 850029407 /nfs/dbraw/zinc/02/94/07/850029407.db2.gz ANUDEGJVTXITLB-GFCCVEGCSA-N 1 2 291.351 0.906 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038832238 850034090 /nfs/dbraw/zinc/03/40/90/850034090.db2.gz ZTTWOHGQMSJUAO-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038832238 850034097 /nfs/dbraw/zinc/03/40/97/850034097.db2.gz ZTTWOHGQMSJUAO-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038901380 850073325 /nfs/dbraw/zinc/07/33/25/850073325.db2.gz WOGBPABVICATMB-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038901380 850073337 /nfs/dbraw/zinc/07/33/37/850073337.db2.gz WOGBPABVICATMB-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CCCN1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038937878 850094891 /nfs/dbraw/zinc/09/48/91/850094891.db2.gz YVHMFMWQYVWHHF-ZDUSSCGKSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038937878 850094899 /nfs/dbraw/zinc/09/48/99/850094899.db2.gz YVHMFMWQYVWHHF-ZDUSSCGKSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038937878 850094906 /nfs/dbraw/zinc/09/49/06/850094906.db2.gz YVHMFMWQYVWHHF-ZDUSSCGKSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942835 850096683 /nfs/dbraw/zinc/09/66/83/850096683.db2.gz LESGLCCPLSMQQM-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942835 850096694 /nfs/dbraw/zinc/09/66/94/850096694.db2.gz LESGLCCPLSMQQM-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001039024835 850127459 /nfs/dbraw/zinc/12/74/59/850127459.db2.gz HGUOIZSNXSZBTN-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001039024835 850127469 /nfs/dbraw/zinc/12/74/69/850127469.db2.gz HGUOIZSNXSZBTN-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001039085400 850153207 /nfs/dbraw/zinc/15/32/07/850153207.db2.gz QHVCTTPUBKSHCW-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001039085400 850153211 /nfs/dbraw/zinc/15/32/11/850153211.db2.gz QHVCTTPUBKSHCW-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041137929 850380604 /nfs/dbraw/zinc/38/06/04/850380604.db2.gz ZKGVKVVEWUTKEK-RISCZKNCSA-N 1 2 289.339 0.654 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041137929 850380611 /nfs/dbraw/zinc/38/06/11/850380611.db2.gz ZKGVKVVEWUTKEK-RISCZKNCSA-N 1 2 289.339 0.654 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041343494 850431781 /nfs/dbraw/zinc/43/17/81/850431781.db2.gz AUNZGVITDNTPSI-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041343494 850431788 /nfs/dbraw/zinc/43/17/88/850431788.db2.gz AUNZGVITDNTPSI-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001043173930 850825531 /nfs/dbraw/zinc/82/55/31/850825531.db2.gz PKVQTYQKIFNHNE-UHFFFAOYSA-N 1 2 299.334 0.443 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)Cn2cncc2C)C1 ZINC001043358677 850860057 /nfs/dbraw/zinc/86/00/57/850860057.db2.gz YSPMOHIMZMRMPG-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001043509485 850888136 /nfs/dbraw/zinc/88/81/36/850888136.db2.gz FBQGIWGMZKIHAU-NSHDSACASA-N 1 2 265.357 0.326 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043833729 850945491 /nfs/dbraw/zinc/94/54/91/850945491.db2.gz ICURSHOEUZUNMF-CYBMUJFWSA-N 1 2 286.379 0.996 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001043886742 850956210 /nfs/dbraw/zinc/95/62/10/850956210.db2.gz YOSZRCKHRJETRL-OLZOCXBDSA-N 1 2 279.384 0.429 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001043889928 850959861 /nfs/dbraw/zinc/95/98/61/850959861.db2.gz XTFBLMYIVZEEMO-MNOVXSKESA-N 1 2 265.357 0.217 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001044393080 851095276 /nfs/dbraw/zinc/09/52/76/851095276.db2.gz IFDDEZKCIOJVBY-GFCCVEGCSA-N 1 2 274.368 0.690 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001046018480 851354102 /nfs/dbraw/zinc/35/41/02/851354102.db2.gz XALZTEQFGZEEJM-HNNXBMFYSA-N 1 2 288.395 0.695 20 30 CCEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC001046162867 851402695 /nfs/dbraw/zinc/40/26/95/851402695.db2.gz NTNBTARMVDNUCP-LBPRGKRZSA-N 1 2 264.354 0.756 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC001046162867 851402690 /nfs/dbraw/zinc/40/26/90/851402690.db2.gz NTNBTARMVDNUCP-LBPRGKRZSA-N 1 2 264.354 0.756 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001046275874 851449242 /nfs/dbraw/zinc/44/92/42/851449242.db2.gz YUVMLZDKVNCBJQ-ZDUSSCGKSA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001046275874 851449244 /nfs/dbraw/zinc/44/92/44/851449244.db2.gz YUVMLZDKVNCBJQ-ZDUSSCGKSA-N 1 2 299.758 0.925 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2F)C1 ZINC001046600616 851561966 /nfs/dbraw/zinc/56/19/66/851561966.db2.gz QVARTVLGGBSURR-LBPRGKRZSA-N 1 2 252.293 0.929 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2F)C1 ZINC001046600616 851561970 /nfs/dbraw/zinc/56/19/70/851561970.db2.gz QVARTVLGGBSURR-LBPRGKRZSA-N 1 2 252.293 0.929 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770073 851609928 /nfs/dbraw/zinc/60/99/28/851609928.db2.gz BYUDDDSABPYLEJ-IAQYHMDHSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770073 851609937 /nfs/dbraw/zinc/60/99/37/851609937.db2.gz BYUDDDSABPYLEJ-IAQYHMDHSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770073 851609944 /nfs/dbraw/zinc/60/99/44/851609944.db2.gz BYUDDDSABPYLEJ-IAQYHMDHSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770073 851609950 /nfs/dbraw/zinc/60/99/50/851609950.db2.gz BYUDDDSABPYLEJ-IAQYHMDHSA-N 1 2 287.367 0.123 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778607 851611262 /nfs/dbraw/zinc/61/12/62/851611262.db2.gz JCEYSUNXMODYJS-GWCFXTLKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778607 851611271 /nfs/dbraw/zinc/61/12/71/851611271.db2.gz JCEYSUNXMODYJS-GWCFXTLKSA-N 1 2 285.775 0.598 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001047323161 851717386 /nfs/dbraw/zinc/71/73/86/851717386.db2.gz VAMCTTILLRDNKI-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001047323161 851717390 /nfs/dbraw/zinc/71/73/90/851717390.db2.gz VAMCTTILLRDNKI-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001047323106 851717430 /nfs/dbraw/zinc/71/74/30/851717430.db2.gz OVBCEZHSQYUOCT-RYUDHWBXSA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001047323106 851717433 /nfs/dbraw/zinc/71/74/33/851717433.db2.gz OVBCEZHSQYUOCT-RYUDHWBXSA-N 1 2 293.392 0.592 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047409739 851752392 /nfs/dbraw/zinc/75/23/92/851752392.db2.gz XMMMFKQTPBCEAH-KBPBESRZSA-N 1 2 295.358 0.761 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047409739 851752401 /nfs/dbraw/zinc/75/24/01/851752401.db2.gz XMMMFKQTPBCEAH-KBPBESRZSA-N 1 2 295.358 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001047429524 851762543 /nfs/dbraw/zinc/76/25/43/851762543.db2.gz VVFCQHZEFFXCEX-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001047429524 851762547 /nfs/dbraw/zinc/76/25/47/851762547.db2.gz VVFCQHZEFFXCEX-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)C3CC3)CC2)cn1 ZINC001096260589 851872727 /nfs/dbraw/zinc/87/27/27/851872727.db2.gz HKGMOPRPNNWKMU-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001048873368 852089057 /nfs/dbraw/zinc/08/90/57/852089057.db2.gz NTJLTRYLJMVIQS-YVECIDJPSA-N 1 2 285.351 0.427 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@H]1CCN2CC#N ZINC001049868686 852388377 /nfs/dbraw/zinc/38/83/77/852388377.db2.gz VWFKGWFZHOBSDA-UONOGXRCSA-N 1 2 287.367 0.850 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)CCO2 ZINC001053169241 852701008 /nfs/dbraw/zinc/70/10/08/852701008.db2.gz SRSYLSOSUFRUDU-UHFFFAOYSA-N 1 2 290.367 0.903 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)CCO2 ZINC001053169241 852701011 /nfs/dbraw/zinc/70/10/11/852701011.db2.gz SRSYLSOSUFRUDU-UHFFFAOYSA-N 1 2 290.367 0.903 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)CCO2 ZINC001053385995 852735767 /nfs/dbraw/zinc/73/57/67/852735767.db2.gz YFJRKIBMTXQSTC-WDNDVIMCSA-N 1 2 292.379 0.368 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC1)O2 ZINC001053555903 852757113 /nfs/dbraw/zinc/75/71/13/852757113.db2.gz DYZBWNMMISQACK-LBPRGKRZSA-N 1 2 250.342 0.932 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCOC1)O2 ZINC001053576499 852764368 /nfs/dbraw/zinc/76/43/68/852764368.db2.gz SERIRDDQZNETMM-OLZOCXBDSA-N 1 2 280.368 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)CO2 ZINC001053714363 852785527 /nfs/dbraw/zinc/78/55/27/852785527.db2.gz FFDPWSGAFBRNMF-SECBINFHSA-N 1 2 258.268 0.234 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cccn1)CO2 ZINC001053737480 852795220 /nfs/dbraw/zinc/79/52/20/852795220.db2.gz OSXDIIWCBPOWRV-CYBMUJFWSA-N 1 2 290.367 0.419 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnsn1)CO2 ZINC001053748659 852802983 /nfs/dbraw/zinc/80/29/83/852802983.db2.gz CMCVLGLWWKYUKB-JTQLQIEISA-N 1 2 292.364 0.135 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC1(F)F)CO2 ZINC001053796490 852825337 /nfs/dbraw/zinc/82/53/37/852825337.db2.gz JFFSZRDNEGSGMT-WDEREUQCSA-N 1 2 284.306 0.624 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053898498 852841795 /nfs/dbraw/zinc/84/17/95/852841795.db2.gz LYOFUXIGMCYXRG-XQQFMLRXSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CC3)CO2 ZINC001053937790 852851039 /nfs/dbraw/zinc/85/10/39/852851039.db2.gz JZAZMRZYDXZISX-QWHCGFSZSA-N 1 2 274.364 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCOC1)CO2 ZINC001053968031 852861088 /nfs/dbraw/zinc/86/10/88/852861088.db2.gz ISWDYRFNQOTIKB-HIFRSBDPSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCNC3=O)cc2C1 ZINC001054276913 852900111 /nfs/dbraw/zinc/90/01/11/852900111.db2.gz APAHPUDVIIENML-OAHLLOKOSA-N 1 2 297.358 0.388 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCNC3=O)cc2C1 ZINC001054276913 852900116 /nfs/dbraw/zinc/90/01/16/852900116.db2.gz APAHPUDVIIENML-OAHLLOKOSA-N 1 2 297.358 0.388 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001056657422 853180687 /nfs/dbraw/zinc/18/06/87/853180687.db2.gz WUVRHJYDABHFSJ-CQSZACIVSA-N 1 2 296.334 0.863 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050131018 853321723 /nfs/dbraw/zinc/32/17/23/853321723.db2.gz LKMCIUZDOLEIET-VHSXEESVSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050131018 853321730 /nfs/dbraw/zinc/32/17/30/853321730.db2.gz LKMCIUZDOLEIET-VHSXEESVSA-N 1 2 271.748 0.147 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001050846852 853458393 /nfs/dbraw/zinc/45/83/93/853458393.db2.gz ZETZGFCCIFAWAV-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001050846852 853458401 /nfs/dbraw/zinc/45/84/01/853458401.db2.gz ZETZGFCCIFAWAV-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001050846853 853459221 /nfs/dbraw/zinc/45/92/21/853459221.db2.gz ZETZGFCCIFAWAV-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001050846853 853459227 /nfs/dbraw/zinc/45/92/27/853459227.db2.gz ZETZGFCCIFAWAV-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051970140 853667505 /nfs/dbraw/zinc/66/75/05/853667505.db2.gz YBHSYKSCZNMRCN-AWEZNQCLSA-N 1 2 295.402 0.976 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051990248 853671550 /nfs/dbraw/zinc/67/15/50/853671550.db2.gz PANSCWDVPMFQEH-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051990248 853671553 /nfs/dbraw/zinc/67/15/53/853671553.db2.gz PANSCWDVPMFQEH-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026069 853677797 /nfs/dbraw/zinc/67/77/97/853677797.db2.gz MZGCMHMBUBRPFF-QGZVFWFLSA-N 1 2 299.418 0.642 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001069889694 853994668 /nfs/dbraw/zinc/99/46/68/853994668.db2.gz JUQAJHZWUWJPAR-OLZOCXBDSA-N 1 2 299.334 0.550 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001069889694 853994670 /nfs/dbraw/zinc/99/46/70/853994670.db2.gz JUQAJHZWUWJPAR-OLZOCXBDSA-N 1 2 299.334 0.550 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C=C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069909461 853998649 /nfs/dbraw/zinc/99/86/49/853998649.db2.gz ZPQUGASHBUWIOQ-KGLIPLIRSA-N 1 2 285.351 0.363 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069909461 853998654 /nfs/dbraw/zinc/99/86/54/853998654.db2.gz ZPQUGASHBUWIOQ-KGLIPLIRSA-N 1 2 285.351 0.363 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C\C2CC2)CC1 ZINC001070948710 854109073 /nfs/dbraw/zinc/10/90/73/854109073.db2.gz XHKLNEURPAEOQE-WAYWQWQTSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C=C\C2CC2)CC1 ZINC001070948710 854109076 /nfs/dbraw/zinc/10/90/76/854109076.db2.gz XHKLNEURPAEOQE-WAYWQWQTSA-N 1 2 291.395 0.789 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074245504 854705016 /nfs/dbraw/zinc/70/50/16/854705016.db2.gz POKAYXYSURCTGS-GJZGRUSLSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074245504 854705020 /nfs/dbraw/zinc/70/50/20/854705020.db2.gz POKAYXYSURCTGS-GJZGRUSLSA-N 1 2 287.363 0.953 20 30 CCEDLO C=CCN1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074346115 854712620 /nfs/dbraw/zinc/71/26/20/854712620.db2.gz JKBNCMXZHZIBBN-KGLIPLIRSA-N 1 2 290.367 0.440 20 30 CCEDLO C=CCN1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001074346116 854712856 /nfs/dbraw/zinc/71/28/56/854712856.db2.gz JKBNCMXZHZIBBN-UONOGXRCSA-N 1 2 290.367 0.440 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001098678846 854876457 /nfs/dbraw/zinc/87/64/57/854876457.db2.gz OEJCHVXHOJQKAW-AWEZNQCLSA-N 1 2 298.350 0.416 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099005205 854905474 /nfs/dbraw/zinc/90/54/74/854905474.db2.gz TVDNGSWFFGGYGV-CABZTGNLSA-N 1 2 271.748 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099005205 854905483 /nfs/dbraw/zinc/90/54/83/854905483.db2.gz TVDNGSWFFGGYGV-CABZTGNLSA-N 1 2 271.748 0.195 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001099404482 854933163 /nfs/dbraw/zinc/93/31/63/854933163.db2.gz FLKWCHQOCJSHAU-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C[C@@H]1O ZINC001099726062 854977869 /nfs/dbraw/zinc/97/78/69/854977869.db2.gz DAXOCYQFUHMGMM-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C[C@@H]1O ZINC001099726062 854977872 /nfs/dbraw/zinc/97/78/72/854977872.db2.gz DAXOCYQFUHMGMM-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001101673027 855339984 /nfs/dbraw/zinc/33/99/84/855339984.db2.gz SLHBLVNSIPCHAT-UHFFFAOYSA-N 1 2 285.311 0.115 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728848 855355799 /nfs/dbraw/zinc/35/57/99/855355799.db2.gz OAAJOHJDSPZPJC-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C ZINC001101822221 855372575 /nfs/dbraw/zinc/37/25/75/855372575.db2.gz IKHBOWXRVLXLFU-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C ZINC001101822221 855372585 /nfs/dbraw/zinc/37/25/85/855372585.db2.gz IKHBOWXRVLXLFU-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)nn1 ZINC001104001833 855560458 /nfs/dbraw/zinc/56/04/58/855560458.db2.gz DUXMHKUAUSDPKU-LLVKDONJSA-N 1 2 299.338 0.409 20 30 CCEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nncn1C ZINC001116616478 855798893 /nfs/dbraw/zinc/79/88/93/855798893.db2.gz LODZYNCMDAWFJD-TVQRCGJNSA-N 1 2 276.344 0.274 20 30 CCEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001116759619 855828400 /nfs/dbraw/zinc/82/84/00/855828400.db2.gz HYVRVDRATFMGLA-GFCCVEGCSA-N 1 2 297.380 0.544 20 30 CCEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001116759619 855828403 /nfs/dbraw/zinc/82/84/03/855828403.db2.gz HYVRVDRATFMGLA-GFCCVEGCSA-N 1 2 297.380 0.544 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001117942381 856115861 /nfs/dbraw/zinc/11/58/61/856115861.db2.gz XMRZPXCDNRZWAB-QWRGUYRKSA-N 1 2 284.312 0.215 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001117942381 856115865 /nfs/dbraw/zinc/11/58/65/856115865.db2.gz XMRZPXCDNRZWAB-QWRGUYRKSA-N 1 2 284.312 0.215 20 30 CCEDLO C=CC[NH+]1CCN([C@]2(C(=O)OC)CCOC2)CC1 ZINC001118831253 856457100 /nfs/dbraw/zinc/45/71/00/856457100.db2.gz QLEYMUXQBCTEHV-CYBMUJFWSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001119322227 856630993 /nfs/dbraw/zinc/63/09/93/856630993.db2.gz JHGDELQVUVNCRO-RWMBFGLXSA-N 1 2 296.367 0.461 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(COC)CC1 ZINC001323272185 912236007 /nfs/dbraw/zinc/23/60/07/912236007.db2.gz FUSIDNLGMDCMKK-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(COC)CC1 ZINC001323272185 912236020 /nfs/dbraw/zinc/23/60/20/912236020.db2.gz FUSIDNLGMDCMKK-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)[nH]1 ZINC001392889278 912236262 /nfs/dbraw/zinc/23/62/62/912236262.db2.gz JZUJJNYIACUJJS-JTQLQIEISA-N 1 2 290.371 0.826 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(COC)CC1 ZINC001323272186 912236444 /nfs/dbraw/zinc/23/64/44/912236444.db2.gz FUSIDNLGMDCMKK-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(COC)CC1 ZINC001323272186 912236455 /nfs/dbraw/zinc/23/64/55/912236455.db2.gz FUSIDNLGMDCMKK-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001323493328 912369923 /nfs/dbraw/zinc/36/99/23/912369923.db2.gz BDHVVFYRIKNZRE-SMDDNHRTSA-N 1 2 286.379 0.947 20 30 CCEDLO C=C(C)CCC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001323934997 912592070 /nfs/dbraw/zinc/59/20/70/912592070.db2.gz ZQMFZSWMHYDNFI-UHFFFAOYSA-N 1 2 270.373 0.494 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2coc(OC)n2)C1 ZINC001323957881 912601322 /nfs/dbraw/zinc/60/13/22/912601322.db2.gz IHVZENIQIRHXGA-UHFFFAOYSA-N 1 2 295.339 0.642 20 30 CCEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)CCOCC1 ZINC001324018477 912632120 /nfs/dbraw/zinc/63/21/20/912632120.db2.gz QXMVWXCYSWCOCK-ZDUSSCGKSA-N 1 2 296.411 0.883 20 30 CCEDLO C#CCN1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001324029132 912635802 /nfs/dbraw/zinc/63/58/02/912635802.db2.gz JIBVWWWEYREOBN-UHFFFAOYSA-N 1 2 260.341 0.439 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001324517087 912885599 /nfs/dbraw/zinc/88/55/99/912885599.db2.gz ZUPBIPMVTXQVEB-CQSZACIVSA-N 1 2 271.320 0.666 20 30 CCEDLO C#CCOCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001324517087 912885616 /nfs/dbraw/zinc/88/56/16/912885616.db2.gz ZUPBIPMVTXQVEB-CQSZACIVSA-N 1 2 271.320 0.666 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ncccc2C)C1 ZINC001325199252 913273906 /nfs/dbraw/zinc/27/39/06/913273906.db2.gz VGPCOJLKEWTYJC-UHFFFAOYSA-N 1 2 273.336 0.190 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001266331422 891452394 /nfs/dbraw/zinc/45/23/94/891452394.db2.gz QBFVQLUFQQMBOT-NSHDSACASA-N 1 2 294.330 0.260 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001266331422 891452400 /nfs/dbraw/zinc/45/24/00/891452400.db2.gz QBFVQLUFQQMBOT-NSHDSACASA-N 1 2 294.330 0.260 20 30 CCEDLO COCC#CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001347312844 891559536 /nfs/dbraw/zinc/55/95/36/891559536.db2.gz LJUUERKWCOIRKB-UHFFFAOYSA-N 1 2 261.325 0.528 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC001480899170 891714969 /nfs/dbraw/zinc/71/49/69/891714969.db2.gz AMGUWQBNHYKVGA-UHFFFAOYSA-N 1 2 299.374 0.608 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)cc1 ZINC001480899170 891714975 /nfs/dbraw/zinc/71/49/75/891714975.db2.gz AMGUWQBNHYKVGA-UHFFFAOYSA-N 1 2 299.374 0.608 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001480955961 891954805 /nfs/dbraw/zinc/95/48/05/891954805.db2.gz WIKGJJMQSROVPE-NSHDSACASA-N 1 2 289.807 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001480955961 891954810 /nfs/dbraw/zinc/95/48/10/891954810.db2.gz WIKGJJMQSROVPE-NSHDSACASA-N 1 2 289.807 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1[nH]nnc1C ZINC001480992742 892025149 /nfs/dbraw/zinc/02/51/49/892025149.db2.gz YYENKFWFULVQDI-UHFFFAOYSA-N 1 2 271.752 0.917 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1[nH]nnc1C ZINC001480992742 892025157 /nfs/dbraw/zinc/02/51/57/892025157.db2.gz YYENKFWFULVQDI-UHFFFAOYSA-N 1 2 271.752 0.917 20 30 CCEDLO CC(C)[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481060826 892119157 /nfs/dbraw/zinc/11/91/57/892119157.db2.gz YEHWIJYBJLWVRQ-QWHCGFSZSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481060826 892119161 /nfs/dbraw/zinc/11/91/61/892119161.db2.gz YEHWIJYBJLWVRQ-QWHCGFSZSA-N 1 2 294.399 0.499 20 30 CCEDLO CCCN(CC#N)CCNC(=O)CCc1[nH+]ccn1C ZINC001481142210 892223397 /nfs/dbraw/zinc/22/33/97/892223397.db2.gz AGDWSBJKWHHSGV-UHFFFAOYSA-N 1 2 277.372 0.704 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(C)C)C2)nn1 ZINC001105213822 892507143 /nfs/dbraw/zinc/50/71/43/892507143.db2.gz ONDPBCPNAFGLAM-CYBMUJFWSA-N 1 2 287.367 0.430 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001481525413 892774753 /nfs/dbraw/zinc/77/47/53/892774753.db2.gz ZXGDLGAAPWZKIH-CQSZACIVSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001481525413 892774762 /nfs/dbraw/zinc/77/47/62/892774762.db2.gz ZXGDLGAAPWZKIH-CQSZACIVSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2ccncc2C)C1 ZINC001481558684 892830332 /nfs/dbraw/zinc/83/03/32/892830332.db2.gz IEIOMXMCLJSERJ-UHFFFAOYSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CCC(CC=C)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481627748 892926434 /nfs/dbraw/zinc/92/64/34/892926434.db2.gz XVFGSQLWPTWXOX-LLVKDONJSA-N 1 2 279.384 0.677 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001482187130 893477808 /nfs/dbraw/zinc/47/78/08/893477808.db2.gz SCNWJDCKLNIVAF-CHWSQXEVSA-N 1 2 293.371 0.232 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001482187130 893477814 /nfs/dbraw/zinc/47/78/14/893477814.db2.gz SCNWJDCKLNIVAF-CHWSQXEVSA-N 1 2 293.371 0.232 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001482277728 893747227 /nfs/dbraw/zinc/74/72/27/893747227.db2.gz MKNIXTVMHYJFBP-IINYFYTJSA-N 1 2 296.371 0.642 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC001326194554 913811485 /nfs/dbraw/zinc/81/14/85/913811485.db2.gz OKLUUOSXUMERCG-LLVKDONJSA-N 1 2 286.339 0.539 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCCC(C)=O)C1 ZINC001271941750 894228546 /nfs/dbraw/zinc/22/85/46/894228546.db2.gz PGVOQPJQPSRFTR-HNNXBMFYSA-N 1 2 280.368 0.322 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCCC(C)=O)C1 ZINC001271941750 894228563 /nfs/dbraw/zinc/22/85/63/894228563.db2.gz PGVOQPJQPSRFTR-HNNXBMFYSA-N 1 2 280.368 0.322 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C)no2)C1 ZINC001482768069 894585525 /nfs/dbraw/zinc/58/55/25/894585525.db2.gz XNDVVNJVCXCICQ-NSHDSACASA-N 1 2 294.355 0.301 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001483359279 895500499 /nfs/dbraw/zinc/50/04/99/895500499.db2.gz DKUANEJIILRWTG-MRVPVSSYSA-N 1 2 257.725 0.607 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001483359279 895500501 /nfs/dbraw/zinc/50/05/01/895500501.db2.gz DKUANEJIILRWTG-MRVPVSSYSA-N 1 2 257.725 0.607 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001483640927 895777283 /nfs/dbraw/zinc/77/72/83/895777283.db2.gz CQLYCSNOBMKWED-CHWSQXEVSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001483640927 895777300 /nfs/dbraw/zinc/77/73/00/895777300.db2.gz CQLYCSNOBMKWED-CHWSQXEVSA-N 1 2 279.384 0.505 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCCNC2=O)C1 ZINC001483678814 895839434 /nfs/dbraw/zinc/83/94/34/895839434.db2.gz CHTYIUCBRHASBY-QWHCGFSZSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCCNC2=O)C1 ZINC001483678814 895839445 /nfs/dbraw/zinc/83/94/45/895839445.db2.gz CHTYIUCBRHASBY-QWHCGFSZSA-N 1 2 291.395 0.812 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001483681877 895844132 /nfs/dbraw/zinc/84/41/32/895844132.db2.gz MGVNSJGDMRRUOA-STQMWFEESA-N 1 2 262.353 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001483681877 895844139 /nfs/dbraw/zinc/84/41/39/895844139.db2.gz MGVNSJGDMRRUOA-STQMWFEESA-N 1 2 262.353 0.627 20 30 CCEDLO C#CCCCCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001483727806 895924331 /nfs/dbraw/zinc/92/43/31/895924331.db2.gz BFIBOQBDSIHFMY-UHFFFAOYSA-N 1 2 289.383 0.747 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2cnn(C)n2)C1 ZINC001483878666 896100329 /nfs/dbraw/zinc/10/03/29/896100329.db2.gz DEXWQUYBTAIFIW-UHFFFAOYSA-N 1 2 277.372 0.466 20 30 CCEDLO N#CCNC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001484013644 896150882 /nfs/dbraw/zinc/15/08/82/896150882.db2.gz ADZVXNQPINHESX-CYBMUJFWSA-N 1 2 275.356 0.671 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)CCOC)C1 ZINC001484423613 896388752 /nfs/dbraw/zinc/38/87/52/896388752.db2.gz DQNHVXMWNLCGPR-CYBMUJFWSA-N 1 2 290.791 0.719 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCOC)C1 ZINC001484423613 896388768 /nfs/dbraw/zinc/38/87/68/896388768.db2.gz DQNHVXMWNLCGPR-CYBMUJFWSA-N 1 2 290.791 0.719 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001484635013 896508754 /nfs/dbraw/zinc/50/87/54/896508754.db2.gz RNJVGSITODAPGF-LLVKDONJSA-N 1 2 292.339 0.236 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC)CO2 ZINC001484789893 896605190 /nfs/dbraw/zinc/60/51/90/896605190.db2.gz UGPANEIQCKCIJW-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C=CCN1CCOC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001326667500 914087432 /nfs/dbraw/zinc/08/74/32/914087432.db2.gz MPPYPWKCGFVJCY-GFCCVEGCSA-N 1 2 278.356 0.264 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)n2cccn2)C1 ZINC001485398452 897022678 /nfs/dbraw/zinc/02/26/78/897022678.db2.gz WCSDQXVUJVMBFH-CYBMUJFWSA-N 1 2 290.367 0.020 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](C)OC)C1 ZINC001485399467 897029837 /nfs/dbraw/zinc/02/98/37/897029837.db2.gz PPGSDYUXARSJLH-NSHDSACASA-N 1 2 256.346 0.150 20 30 CCEDLO CCCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)C#N)C1 ZINC001485497219 897083450 /nfs/dbraw/zinc/08/34/50/897083450.db2.gz NFHJXOYXMUIGMK-MNOVXSKESA-N 1 2 280.372 0.109 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CCF)C2)cn1 ZINC001032138241 897287550 /nfs/dbraw/zinc/28/75/50/897287550.db2.gz RTXBLPQFRDOYMB-UHFFFAOYSA-N 1 2 261.300 0.694 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001077726095 897346848 /nfs/dbraw/zinc/34/68/48/897346848.db2.gz QAWSEMQTEFEHMU-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001077726095 897346857 /nfs/dbraw/zinc/34/68/57/897346857.db2.gz QAWSEMQTEFEHMU-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nn1 ZINC001032398519 897444594 /nfs/dbraw/zinc/44/45/94/897444594.db2.gz KCNZOSAUGFCXNE-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nn1 ZINC001032398519 897444598 /nfs/dbraw/zinc/44/45/98/897444598.db2.gz KCNZOSAUGFCXNE-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC)CC2 ZINC001127910643 897453714 /nfs/dbraw/zinc/45/37/14/897453714.db2.gz RKHTXIGCUNWZAU-LLVKDONJSA-N 1 2 275.356 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001032448522 897580310 /nfs/dbraw/zinc/58/03/10/897580310.db2.gz RWJVKALADFRGQL-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001032448522 897580315 /nfs/dbraw/zinc/58/03/15/897580315.db2.gz RWJVKALADFRGQL-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910482 897611719 /nfs/dbraw/zinc/61/17/19/897611719.db2.gz AHMPKVAUFHJOKA-YJNKXOJESA-N 1 2 299.378 0.575 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nccn2C1 ZINC001032483373 897636715 /nfs/dbraw/zinc/63/67/15/897636715.db2.gz ODMQMSCPFSTUSD-IHRRRGAJSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nccn2C1 ZINC001032483373 897636722 /nfs/dbraw/zinc/63/67/22/897636722.db2.gz ODMQMSCPFSTUSD-IHRRRGAJSA-N 1 2 284.363 0.364 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032511753 897675341 /nfs/dbraw/zinc/67/53/41/897675341.db2.gz CXJIRLHLNNSSHU-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032511753 897675347 /nfs/dbraw/zinc/67/53/47/897675347.db2.gz CXJIRLHLNNSSHU-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(OC)c1 ZINC001032511371 897675508 /nfs/dbraw/zinc/67/55/08/897675508.db2.gz ZAKKSFPYNRQZBD-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(OC)c1 ZINC001032511371 897675518 /nfs/dbraw/zinc/67/55/18/897675518.db2.gz ZAKKSFPYNRQZBD-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncc(C)c1 ZINC001032542699 897725193 /nfs/dbraw/zinc/72/51/93/897725193.db2.gz VNMKVCKTEOVKFZ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncc(C)c1 ZINC001032542699 897725200 /nfs/dbraw/zinc/72/52/00/897725200.db2.gz VNMKVCKTEOVKFZ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001032630702 897851060 /nfs/dbraw/zinc/85/10/60/897851060.db2.gz ZTBGAGGVQKDSLO-FQUUOJAGSA-N 1 2 289.379 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001032630702 897851076 /nfs/dbraw/zinc/85/10/76/897851076.db2.gz ZTBGAGGVQKDSLO-FQUUOJAGSA-N 1 2 289.379 0.019 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001032656854 897900695 /nfs/dbraw/zinc/90/06/95/897900695.db2.gz OQHQLGHSPQGHSU-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001032656854 897900701 /nfs/dbraw/zinc/90/07/01/897900701.db2.gz OQHQLGHSPQGHSU-STQMWFEESA-N 1 2 272.352 0.743 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCC(=O)N1 ZINC001032753205 898085848 /nfs/dbraw/zinc/08/58/48/898085848.db2.gz KEKWZWLBJFUTLV-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCC(=O)N1 ZINC001032753205 898085859 /nfs/dbraw/zinc/08/58/59/898085859.db2.gz KEKWZWLBJFUTLV-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001077995755 898167051 /nfs/dbraw/zinc/16/70/51/898167051.db2.gz PMECRHKKQJYORN-GDBMZVCRSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001077995755 898167057 /nfs/dbraw/zinc/16/70/57/898167057.db2.gz PMECRHKKQJYORN-GDBMZVCRSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001078004118 898175783 /nfs/dbraw/zinc/17/57/83/898175783.db2.gz JJDGAWPMTRBDAD-CHWSQXEVSA-N 1 2 276.336 0.559 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001078004118 898175788 /nfs/dbraw/zinc/17/57/88/898175788.db2.gz JJDGAWPMTRBDAD-CHWSQXEVSA-N 1 2 276.336 0.559 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001078043574 898194658 /nfs/dbraw/zinc/19/46/58/898194658.db2.gz GSHLLMSENSLJFS-CHWSQXEVSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001078043574 898194671 /nfs/dbraw/zinc/19/46/71/898194671.db2.gz GSHLLMSENSLJFS-CHWSQXEVSA-N 1 2 293.754 0.533 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001078036659 898197160 /nfs/dbraw/zinc/19/71/60/898197160.db2.gz HKEFCPZFXIXRRI-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001078036659 898197167 /nfs/dbraw/zinc/19/71/67/898197167.db2.gz HKEFCPZFXIXRRI-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C(N)=O)c1 ZINC001032789154 898230000 /nfs/dbraw/zinc/23/00/00/898230000.db2.gz XCTAOPKRTNVQEC-KBPBESRZSA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C(N)=O)c1 ZINC001032789154 898230019 /nfs/dbraw/zinc/23/00/19/898230019.db2.gz XCTAOPKRTNVQEC-KBPBESRZSA-N 1 2 298.346 0.103 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001078134866 898259115 /nfs/dbraw/zinc/25/91/15/898259115.db2.gz KWQNZHYBSFZYNS-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001078134866 898259131 /nfs/dbraw/zinc/25/91/31/898259131.db2.gz KWQNZHYBSFZYNS-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C=CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC001116883083 898369896 /nfs/dbraw/zinc/36/98/96/898369896.db2.gz IXTTZZGGIFYVNP-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC001116883083 898369913 /nfs/dbraw/zinc/36/99/13/898369913.db2.gz IXTTZZGGIFYVNP-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC001116883082 898371549 /nfs/dbraw/zinc/37/15/49/898371549.db2.gz IXTTZZGGIFYVNP-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC001116883082 898371564 /nfs/dbraw/zinc/37/15/64/898371564.db2.gz IXTTZZGGIFYVNP-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC=C(CNC(=O)CCCF)CC1 ZINC001486512830 898914550 /nfs/dbraw/zinc/91/45/50/898914550.db2.gz HHFMYAJPZUYVDK-UHFFFAOYSA-N 1 2 296.346 0.124 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CCCF)CC1 ZINC001486512830 898914553 /nfs/dbraw/zinc/91/45/53/898914553.db2.gz HHFMYAJPZUYVDK-UHFFFAOYSA-N 1 2 296.346 0.124 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486980588 899091476 /nfs/dbraw/zinc/09/14/76/899091476.db2.gz KNZVOGXOKLLZPW-GHMZBOCLSA-N 1 2 291.355 0.085 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001494600045 899157701 /nfs/dbraw/zinc/15/77/01/899157701.db2.gz KAZNAFVCZRYAFQ-UHFFFAOYSA-N 1 2 293.411 0.915 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1ccc(C#N)nn1 ZINC001487402589 899170773 /nfs/dbraw/zinc/17/07/73/899170773.db2.gz KSZUWGLMKGGBQL-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO N#CCCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001327083724 914362033 /nfs/dbraw/zinc/36/20/33/914362033.db2.gz CYGVINXYLQZIOX-UHFFFAOYSA-N 1 2 290.371 0.506 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001410921694 899631412 /nfs/dbraw/zinc/63/14/12/899631412.db2.gz OWMVIUFTZWLQME-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2(O)C[NH+](CCCOCC)C2)C1 ZINC001325273138 899992201 /nfs/dbraw/zinc/99/22/01/899992201.db2.gz KOEPPNMBSYQSOK-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001494876479 900089150 /nfs/dbraw/zinc/08/91/50/900089150.db2.gz POGURKDFDIGGEF-NWDGAFQWSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001494876479 900089158 /nfs/dbraw/zinc/08/91/58/900089158.db2.gz POGURKDFDIGGEF-NWDGAFQWSA-N 1 2 288.413 0.386 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H](NCC#N)C1 ZINC001488960465 900415170 /nfs/dbraw/zinc/41/51/70/900415170.db2.gz JPOOCGZKPRVWJF-NWDGAFQWSA-N 1 2 275.356 0.361 20 30 CCEDLO CCc1nnc(C[N@H+](C)CCCNC(=O)C#CC2CC2)o1 ZINC001490193237 900564499 /nfs/dbraw/zinc/56/44/99/900564499.db2.gz NNHPSRRQAWCJKN-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO CCc1nnc(C[N@@H+](C)CCCNC(=O)C#CC2CC2)o1 ZINC001490193237 900564508 /nfs/dbraw/zinc/56/45/08/900564508.db2.gz NNHPSRRQAWCJKN-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001490304030 900594788 /nfs/dbraw/zinc/59/47/88/900594788.db2.gz SVZGCEHLTUGQEF-CHWSQXEVSA-N 1 2 289.383 0.730 20 30 CCEDLO CC(C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)=C1CCC1 ZINC001490538471 900653107 /nfs/dbraw/zinc/65/31/07/900653107.db2.gz TZJONWAZOVKYIN-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO CC(C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)=C1CCC1 ZINC001490538471 900653108 /nfs/dbraw/zinc/65/31/08/900653108.db2.gz TZJONWAZOVKYIN-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CC1 ZINC001490784131 900722970 /nfs/dbraw/zinc/72/29/70/900722970.db2.gz XMKGLHFRAMWNHJ-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CC1 ZINC001490784131 900722975 /nfs/dbraw/zinc/72/29/75/900722975.db2.gz XMKGLHFRAMWNHJ-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327312485 914473367 /nfs/dbraw/zinc/47/33/67/914473367.db2.gz HXLYJEWJMCNNEY-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCCCOC ZINC001490806088 900767210 /nfs/dbraw/zinc/76/72/10/900767210.db2.gz OOHQOQUZARVJLS-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCCCOC ZINC001490806088 900767218 /nfs/dbraw/zinc/76/72/18/900767218.db2.gz OOHQOQUZARVJLS-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001327397767 914519402 /nfs/dbraw/zinc/51/94/02/914519402.db2.gz VXRLXPOFQVLUBF-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)OC)CO2 ZINC001327380921 902151703 /nfs/dbraw/zinc/15/17/03/902151703.db2.gz WWGQYPNAYWSHSN-OLZOCXBDSA-N 1 2 280.368 0.394 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C#CC2CC2)o1 ZINC001491453279 903598173 /nfs/dbraw/zinc/59/81/73/903598173.db2.gz WZCXLTPYBHQFMK-VIFPVBQESA-N 1 2 262.313 0.386 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001281967512 903994450 /nfs/dbraw/zinc/99/44/50/903994450.db2.gz HPRQWQIJQMKMOJ-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001281967512 903994459 /nfs/dbraw/zinc/99/44/59/903994459.db2.gz HPRQWQIJQMKMOJ-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO CC(C)C#CC(=O)N(C)CCC[N@H+](C)Cc1cn(C)nn1 ZINC001280804790 904017062 /nfs/dbraw/zinc/01/70/62/904017062.db2.gz GNQSBMHQKUZMSW-UHFFFAOYSA-N 1 2 291.399 0.755 20 30 CCEDLO CC(C)C#CC(=O)N(C)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC001280804790 904017076 /nfs/dbraw/zinc/01/70/76/904017076.db2.gz GNQSBMHQKUZMSW-UHFFFAOYSA-N 1 2 291.399 0.755 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2occc2C)C1 ZINC001282537768 904503827 /nfs/dbraw/zinc/50/38/27/904503827.db2.gz MGOKSAOVBBVJMS-UHFFFAOYSA-N 1 2 290.363 0.707 20 30 CCEDLO COCC#CC[NH+]1CC([C@H](C)NC(=O)CCCC(C)=O)C1 ZINC001282688271 904520269 /nfs/dbraw/zinc/52/02/69/904520269.db2.gz IWLMYWUORPYTLK-AWEZNQCLSA-N 1 2 294.395 0.832 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001398740024 914822135 /nfs/dbraw/zinc/82/21/35/914822135.db2.gz XYVFCPPVUFOXMF-LLVKDONJSA-N 1 2 298.778 0.396 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001398740024 914822153 /nfs/dbraw/zinc/82/21/53/914822153.db2.gz XYVFCPPVUFOXMF-LLVKDONJSA-N 1 2 298.778 0.396 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001284398086 905269580 /nfs/dbraw/zinc/26/95/80/905269580.db2.gz DZJHKEMIZBXNMC-NSHDSACASA-N 1 2 282.344 0.253 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001377961586 905281012 /nfs/dbraw/zinc/28/10/12/905281012.db2.gz WYDOVTTUSWZLQU-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001377967641 905284724 /nfs/dbraw/zinc/28/47/24/905284724.db2.gz BIVBVYKKVSLODN-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001377967641 905284739 /nfs/dbraw/zinc/28/47/39/905284739.db2.gz BIVBVYKKVSLODN-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001379036567 905940752 /nfs/dbraw/zinc/94/07/52/905940752.db2.gz FUSZENLZIYWDFU-UHFFFAOYSA-N 1 2 271.752 0.571 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001379036567 905940773 /nfs/dbraw/zinc/94/07/73/905940773.db2.gz FUSZENLZIYWDFU-UHFFFAOYSA-N 1 2 271.752 0.571 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001292566272 906281636 /nfs/dbraw/zinc/28/16/36/906281636.db2.gz POUNZEZNSJWKLI-UHFFFAOYSA-N 1 2 250.302 0.151 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001298394687 907237170 /nfs/dbraw/zinc/23/71/70/907237170.db2.gz SZMIMWLLQABCFU-UPHRSURJSA-N 1 2 286.335 0.085 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](COC)OC ZINC001381573205 907300064 /nfs/dbraw/zinc/30/00/64/907300064.db2.gz KMAGHNGVQHPTIR-WDEREUQCSA-N 1 2 278.780 0.837 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](COC)OC ZINC001381573205 907300078 /nfs/dbraw/zinc/30/00/78/907300078.db2.gz KMAGHNGVQHPTIR-WDEREUQCSA-N 1 2 278.780 0.837 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC001381856681 907429097 /nfs/dbraw/zinc/42/90/97/907429097.db2.gz OTCDMHCQVPJOAP-DGCLKSJQSA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC001381856681 907429105 /nfs/dbraw/zinc/42/91/05/907429105.db2.gz OTCDMHCQVPJOAP-DGCLKSJQSA-N 1 2 289.383 0.906 20 30 CCEDLO C#CCCCC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001491681131 907495226 /nfs/dbraw/zinc/49/52/26/907495226.db2.gz JQDWQYRWWINLQX-UHFFFAOYSA-N 1 2 276.340 0.309 20 30 CCEDLO C[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001492394594 907901099 /nfs/dbraw/zinc/90/10/99/907901099.db2.gz QJSUCQYMKIJZEK-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001492394594 907901109 /nfs/dbraw/zinc/90/11/09/907901109.db2.gz QJSUCQYMKIJZEK-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1nccs1 ZINC001492466928 907936379 /nfs/dbraw/zinc/93/63/79/907936379.db2.gz TWPMFAXHVBRSGC-UHFFFAOYSA-N 1 2 282.369 0.107 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1nccs1 ZINC001492466928 907936389 /nfs/dbraw/zinc/93/63/89/907936389.db2.gz TWPMFAXHVBRSGC-UHFFFAOYSA-N 1 2 282.369 0.107 20 30 CCEDLO COC[C@@]1(CO)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC001307775474 908344726 /nfs/dbraw/zinc/34/47/26/908344726.db2.gz OLMPAOMZNRFFLI-LBPRGKRZSA-N 1 2 267.354 0.846 20 30 CCEDLO COC[C@@]1(CO)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC001307775474 908344740 /nfs/dbraw/zinc/34/47/40/908344740.db2.gz OLMPAOMZNRFFLI-LBPRGKRZSA-N 1 2 267.354 0.846 20 30 CCEDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)NCC#N)[nH+]c1C ZINC001308070296 908377156 /nfs/dbraw/zinc/37/71/56/908377156.db2.gz GRTFNPHHSQMFSX-NSHDSACASA-N 1 2 261.329 0.803 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973582 908704040 /nfs/dbraw/zinc/70/40/40/908704040.db2.gz GYFXEJXGKXSWHF-CHWSQXEVSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973582 908704048 /nfs/dbraw/zinc/70/40/48/908704048.db2.gz GYFXEJXGKXSWHF-CHWSQXEVSA-N 1 2 279.384 0.363 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001386458804 908750022 /nfs/dbraw/zinc/75/00/22/908750022.db2.gz STWFOCWUTCALEG-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001317117150 908991618 /nfs/dbraw/zinc/99/16/18/908991618.db2.gz RHAMGOIAVYOBGU-PHIMTYICSA-N 1 2 278.360 0.303 20 30 CCEDLO N#CCSCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317516237 909287836 /nfs/dbraw/zinc/28/78/36/909287836.db2.gz SXXCKMLGNMQNTH-SNVBAGLBSA-N 1 2 295.368 0.264 20 30 CCEDLO N#CCSCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317516237 909287847 /nfs/dbraw/zinc/28/78/47/909287847.db2.gz SXXCKMLGNMQNTH-SNVBAGLBSA-N 1 2 295.368 0.264 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001317524038 909289870 /nfs/dbraw/zinc/28/98/70/909289870.db2.gz XGXJPDMPDYDJRX-CYBMUJFWSA-N 1 2 290.367 0.976 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001317524038 909289883 /nfs/dbraw/zinc/28/98/83/909289883.db2.gz XGXJPDMPDYDJRX-CYBMUJFWSA-N 1 2 290.367 0.976 20 30 CCEDLO Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001317572249 909357555 /nfs/dbraw/zinc/35/75/55/909357555.db2.gz CVTSAFNOHCZCHI-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO C#CCCCCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001318016711 909577526 /nfs/dbraw/zinc/57/75/26/909577526.db2.gz STMUYDSAUGHRGG-UHFFFAOYSA-N 1 2 288.395 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCOC ZINC001318191025 909660028 /nfs/dbraw/zinc/66/00/28/909660028.db2.gz VKSHJJSPTMTINI-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCOC ZINC001318191025 909660030 /nfs/dbraw/zinc/66/00/30/909660030.db2.gz VKSHJJSPTMTINI-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001318192544 909663053 /nfs/dbraw/zinc/66/30/53/909663053.db2.gz DKGYWLNOYIWMNB-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001318192544 909663064 /nfs/dbraw/zinc/66/30/64/909663064.db2.gz DKGYWLNOYIWMNB-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(CNCC#N)C1CC1 ZINC001318730229 909873510 /nfs/dbraw/zinc/87/35/10/909873510.db2.gz NAFPTDNVWGEKPN-AWEZNQCLSA-N 1 2 275.356 0.659 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391026776 910818918 /nfs/dbraw/zinc/81/89/18/910818918.db2.gz GODABNJAAKDJRL-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391026776 910818931 /nfs/dbraw/zinc/81/89/31/910818931.db2.gz GODABNJAAKDJRL-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nccc(N)n2)CC1 ZINC001321298391 911211192 /nfs/dbraw/zinc/21/11/92/911211192.db2.gz GKBMANQIUUJBSV-UHFFFAOYSA-N 1 2 273.340 0.020 20 30 CCEDLO COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001391588152 911249258 /nfs/dbraw/zinc/24/92/58/911249258.db2.gz MIEMSKONBXFTIB-NWDGAFQWSA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001391588152 911249275 /nfs/dbraw/zinc/24/92/75/911249275.db2.gz MIEMSKONBXFTIB-NWDGAFQWSA-N 1 2 288.351 0.940 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 ZINC001391613807 911262746 /nfs/dbraw/zinc/26/27/46/911262746.db2.gz MZLBPLKFPOVMSR-WDEREUQCSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 ZINC001391613807 911262762 /nfs/dbraw/zinc/26/27/62/911262762.db2.gz MZLBPLKFPOVMSR-WDEREUQCSA-N 1 2 292.339 0.876 20 30 CCEDLO C[C@H](C(=O)NCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC001321643505 911418496 /nfs/dbraw/zinc/41/84/96/911418496.db2.gz VUOLYSBSEUQEQX-SNVBAGLBSA-N 1 2 273.300 0.114 20 30 CCEDLO C=C[C@@H](COC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC001322229974 911718750 /nfs/dbraw/zinc/71/87/50/911718750.db2.gz HWIMGTYMIPOSMB-UWVGGRQHSA-N 1 2 264.285 0.074 20 30 CCEDLO C=C[C@@H](COC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC001322229974 911718756 /nfs/dbraw/zinc/71/87/56/911718756.db2.gz HWIMGTYMIPOSMB-UWVGGRQHSA-N 1 2 264.285 0.074 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1cc2n(n1)CCC2)NC(=O)[C@@H](C)C#N ZINC001392643764 912029101 /nfs/dbraw/zinc/02/91/01/912029101.db2.gz TXBRIINIGIWARV-NWDGAFQWSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1cc2n(n1)CCC2)NC(=O)[C@@H](C)C#N ZINC001392643764 912029140 /nfs/dbraw/zinc/02/91/40/912029140.db2.gz TXBRIINIGIWARV-NWDGAFQWSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001417970260 921742155 /nfs/dbraw/zinc/74/21/55/921742155.db2.gz PQDFPBIYAZVHKB-GZMMTYOYSA-N 1 2 279.369 0.682 20 30 CCEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC001328469488 915217695 /nfs/dbraw/zinc/21/76/95/915217695.db2.gz RLESNFFJMOSNNY-CYBMUJFWSA-N 1 2 273.336 0.373 20 30 CCEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C(N)=O ZINC001328469488 915217707 /nfs/dbraw/zinc/21/77/07/915217707.db2.gz RLESNFFJMOSNNY-CYBMUJFWSA-N 1 2 273.336 0.373 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001400298659 915669835 /nfs/dbraw/zinc/66/98/35/915669835.db2.gz FYGHRIICOHAEFF-OLZOCXBDSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001400298659 915669842 /nfs/dbraw/zinc/66/98/42/915669842.db2.gz FYGHRIICOHAEFF-OLZOCXBDSA-N 1 2 292.383 0.349 20 30 CCEDLO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1[nH]ncc1F ZINC001329126940 915690444 /nfs/dbraw/zinc/69/04/44/915690444.db2.gz PXVFCKDJACHECE-ZJUUUORDSA-N 1 2 282.319 0.295 20 30 CCEDLO C=CCC1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CCC1 ZINC001329693160 916131970 /nfs/dbraw/zinc/13/19/70/916131970.db2.gz NGYFWNPZOLXZJI-UHFFFAOYSA-N 1 2 296.411 0.668 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C[NH2+]Cc1nn(C)cc1Cl ZINC001401616652 916386882 /nfs/dbraw/zinc/38/68/82/916386882.db2.gz VKEBPTZSERNCBR-RKDXNWHRSA-N 1 2 283.763 0.827 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N)o1 ZINC001401674567 916458544 /nfs/dbraw/zinc/45/85/44/916458544.db2.gz OIIZMNCFYIQNPC-UWVGGRQHSA-N 1 2 279.344 0.947 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001401867012 916642777 /nfs/dbraw/zinc/64/27/77/916642777.db2.gz DHJJQKIADJJPKW-ZWNOBZJWSA-N 1 2 275.356 0.579 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001401867012 916642785 /nfs/dbraw/zinc/64/27/85/916642785.db2.gz DHJJQKIADJJPKW-ZWNOBZJWSA-N 1 2 275.356 0.579 20 30 CCEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001330821151 916899292 /nfs/dbraw/zinc/89/92/92/916899292.db2.gz AKBRYDPXUGSZTD-BETUJISGSA-N 1 2 288.351 0.709 20 30 CCEDLO Cc1ccn(C[N@H+]2CCC[C@@H](O)[C@H]2C)c(=O)c1C#N ZINC001331071241 917068406 /nfs/dbraw/zinc/06/84/06/917068406.db2.gz IJJFSGATUXDPKI-DGCLKSJQSA-N 1 2 261.325 0.831 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c(=O)c1C#N ZINC001331071241 917068413 /nfs/dbraw/zinc/06/84/13/917068413.db2.gz IJJFSGATUXDPKI-DGCLKSJQSA-N 1 2 261.325 0.831 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@H]1CCCOC1 ZINC001331426369 917324622 /nfs/dbraw/zinc/32/46/22/917324622.db2.gz MXVZUUPLOHRMPX-AVGNSLFASA-N 1 2 298.383 0.754 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001331494998 917372655 /nfs/dbraw/zinc/37/26/55/917372655.db2.gz KHHQUCOMFFSHPL-UWVGGRQHSA-N 1 2 250.302 0.308 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001331773315 917593060 /nfs/dbraw/zinc/59/30/60/917593060.db2.gz UGCYSSMHFQONLD-NWDGAFQWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001332416679 918139208 /nfs/dbraw/zinc/13/92/08/918139208.db2.gz OFXAMAVENWKHEP-NEPJUHHUSA-N 1 2 284.356 0.331 20 30 CCEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001404867269 918499814 /nfs/dbraw/zinc/49/98/14/918499814.db2.gz ALWNVTKDUJWDHY-NWDGAFQWSA-N 1 2 294.399 0.355 20 30 CCEDLO CC(C)(C)[C@@H](CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001332906619 918520677 /nfs/dbraw/zinc/52/06/77/918520677.db2.gz DCEGEGJYHNIUNT-LLVKDONJSA-N 1 2 263.345 0.527 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC001332992625 918584315 /nfs/dbraw/zinc/58/43/15/918584315.db2.gz INGFYKABECONEL-JTQLQIEISA-N 1 2 286.353 0.704 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC001332992625 918584324 /nfs/dbraw/zinc/58/43/24/918584324.db2.gz INGFYKABECONEL-JTQLQIEISA-N 1 2 286.353 0.704 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001333049783 918621457 /nfs/dbraw/zinc/62/14/57/918621457.db2.gz QMVVMWAWRALGRL-LBPRGKRZSA-N 1 2 290.367 0.503 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOC(F)(F)F ZINC001333201428 918725125 /nfs/dbraw/zinc/72/51/25/918725125.db2.gz XAJRIEVYEOKPHK-ZETCQYMHSA-N 1 2 284.234 0.086 20 30 CCEDLO CC(C)c1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001406452218 919278498 /nfs/dbraw/zinc/27/84/98/919278498.db2.gz DMQSJDXBENZHEM-UWVGGRQHSA-N 1 2 279.344 0.947 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001407911867 919952196 /nfs/dbraw/zinc/95/21/96/919952196.db2.gz SSOFZTBGQZYFAO-SDDRHHMPSA-N 1 2 289.339 0.196 20 30 CCEDLO C#CCN(C(=O)C(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC001335121966 919969426 /nfs/dbraw/zinc/96/94/26/919969426.db2.gz HOESJCYOPOKWFR-UHFFFAOYSA-N 1 2 290.367 0.602 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001408226332 920101625 /nfs/dbraw/zinc/10/16/25/920101625.db2.gz BDJBWJQJIGYUNS-MNOVXSKESA-N 1 2 299.334 0.728 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)C(F)(F)F ZINC001335986430 920546609 /nfs/dbraw/zinc/54/66/09/920546609.db2.gz KUOSARNNMALZST-DTWKUNHWSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)C(F)(F)F ZINC001335986430 920546615 /nfs/dbraw/zinc/54/66/15/920546615.db2.gz KUOSARNNMALZST-DTWKUNHWSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH+]cn1C ZINC001415577832 920764454 /nfs/dbraw/zinc/76/44/54/920764454.db2.gz JMEYGZSXZHTEMB-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001342563909 923002395 /nfs/dbraw/zinc/00/23/95/923002395.db2.gz YWMONEHYAQTTSG-RISCZKNCSA-N 1 2 277.372 0.279 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001342563909 923002402 /nfs/dbraw/zinc/00/24/02/923002402.db2.gz YWMONEHYAQTTSG-RISCZKNCSA-N 1 2 277.372 0.279 20 30 CCEDLO CC(C)c1nnc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001419721987 923041766 /nfs/dbraw/zinc/04/17/66/923041766.db2.gz RKJIRNBSNAFOAK-NXEZZACHSA-N 1 2 279.344 0.947 20 30 CCEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cnsn1 ZINC001419729004 923051488 /nfs/dbraw/zinc/05/14/88/923051488.db2.gz WIIOYLCXKVRDQB-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001342868719 923118421 /nfs/dbraw/zinc/11/84/21/923118421.db2.gz BWCJIBHUSUAAEU-QWHCGFSZSA-N 1 2 291.399 0.713 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001342868719 923118424 /nfs/dbraw/zinc/11/84/24/923118424.db2.gz BWCJIBHUSUAAEU-QWHCGFSZSA-N 1 2 291.399 0.713 20 30 CCEDLO CCc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C#N)no1 ZINC001420066342 923279754 /nfs/dbraw/zinc/27/97/54/923279754.db2.gz IXQWYFVYVLDFRX-UWVGGRQHSA-N 1 2 279.344 0.776 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001420287366 923502200 /nfs/dbraw/zinc/50/22/00/923502200.db2.gz HFXJSPIVMLSNJY-CYBMUJFWSA-N 1 2 278.352 0.945 20 30 CCEDLO CC[N@H+]1CC[C@@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001420287366 923502211 /nfs/dbraw/zinc/50/22/11/923502211.db2.gz HFXJSPIVMLSNJY-CYBMUJFWSA-N 1 2 278.352 0.945 20 30 CCEDLO C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)c1nc[nH]n1 ZINC001420346404 923563858 /nfs/dbraw/zinc/56/38/58/923563858.db2.gz GWPMITNOTUBYIJ-SNVBAGLBSA-N 1 2 284.323 0.584 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001421127765 924169297 /nfs/dbraw/zinc/16/92/97/924169297.db2.gz PDXDFIPTKPXQOB-GFCCVEGCSA-N 1 2 288.775 0.592 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001347553225 924479030 /nfs/dbraw/zinc/47/90/30/924479030.db2.gz FFFKQWASEDTTJI-RYUDHWBXSA-N 1 2 267.377 0.081 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001348265517 924632465 /nfs/dbraw/zinc/63/24/65/924632465.db2.gz XDOIJTJDXABQMQ-UHFFFAOYSA-N 1 2 277.328 0.225 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001479926247 924839065 /nfs/dbraw/zinc/83/90/65/924839065.db2.gz AHLSEIPJLNCBQK-CQSZACIVSA-N 1 2 294.399 0.225 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC=C)C1 ZINC001479962612 924943135 /nfs/dbraw/zinc/94/31/35/924943135.db2.gz XMFGXYQWEVORKK-CYBMUJFWSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC=C)C1 ZINC001479962612 924943143 /nfs/dbraw/zinc/94/31/43/924943143.db2.gz XMFGXYQWEVORKK-CYBMUJFWSA-N 1 2 277.368 0.283 20 30 CCEDLO N#CCNCc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC001349745131 925038460 /nfs/dbraw/zinc/03/84/60/925038460.db2.gz PJAHNCIKSBCVJI-UHFFFAOYSA-N 1 2 299.260 0.698 20 30 CCEDLO C=CCn1nnnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001351009913 925336809 /nfs/dbraw/zinc/33/68/09/925336809.db2.gz DNOLBOMQVVASDO-UHFFFAOYSA-N 1 2 259.317 0.897 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351787984 925472884 /nfs/dbraw/zinc/47/28/84/925472884.db2.gz RWQGLWLBIMPWCN-KBPBESRZSA-N 1 2 298.431 0.465 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001351787984 925472890 /nfs/dbraw/zinc/47/28/90/925472890.db2.gz RWQGLWLBIMPWCN-KBPBESRZSA-N 1 2 298.431 0.465 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(C#N)CC1 ZINC001351847869 925485212 /nfs/dbraw/zinc/48/52/12/925485212.db2.gz KRVWFFFHZMEEMO-UHFFFAOYSA-N 1 2 254.315 0.143 20 30 CCEDLO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001480437324 925708363 /nfs/dbraw/zinc/70/83/63/925708363.db2.gz HQTSFRVEVCPUBM-IUCAKERBSA-N 1 2 250.302 0.737 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001354792932 926167891 /nfs/dbraw/zinc/16/78/91/926167891.db2.gz NOIVLEUPHCCINT-CYBMUJFWSA-N 1 2 288.351 0.093 20 30 CCEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccn(C)n1 ZINC001421859926 926954427 /nfs/dbraw/zinc/95/44/27/926954427.db2.gz ATFUJVQNVHODDY-LBPRGKRZSA-N 1 2 288.355 0.727 20 30 CCEDLO CCc1[nH]c(CNS(=O)(=O)N(C)CCC#N)c[nH+]1 ZINC001424793460 928299196 /nfs/dbraw/zinc/29/91/96/928299196.db2.gz LUOSEBUQNXNRRX-UHFFFAOYSA-N 1 2 271.346 0.152 20 30 CCEDLO CCc1[nH]cc(CNS(=O)(=O)N(C)CCC#N)[nH+]1 ZINC001424793460 928299205 /nfs/dbraw/zinc/29/92/05/928299205.db2.gz LUOSEBUQNXNRRX-UHFFFAOYSA-N 1 2 271.346 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001427068744 928964056 /nfs/dbraw/zinc/96/40/56/928964056.db2.gz LQZSTWVFPDJTNT-ZJUUUORDSA-N 1 2 289.339 0.075 20 30 CCEDLO N#Cc1cccc(C2([NH2+]Cc3cn(CC(N)=O)nn3)CC2)c1 ZINC001363415242 929200879 /nfs/dbraw/zinc/20/08/79/929200879.db2.gz YMFZUDIAYBNOAK-UHFFFAOYSA-N 1 2 296.334 0.414 20 30 CCEDLO CC(C)c1[nH]cc(CNC(=O)Cn2cnc(C#N)n2)[nH+]1 ZINC001363712259 929512193 /nfs/dbraw/zinc/51/21/93/929512193.db2.gz PWUQXFLMGQZUAF-UHFFFAOYSA-N 1 2 273.300 0.313 20 30 CCEDLO CC(C)c1[nH]c(CNC(=O)Cn2cnc(C#N)n2)c[nH+]1 ZINC001363712259 929512201 /nfs/dbraw/zinc/51/22/01/929512201.db2.gz PWUQXFLMGQZUAF-UHFFFAOYSA-N 1 2 273.300 0.313 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001429992449 929547295 /nfs/dbraw/zinc/54/72/95/929547295.db2.gz JFMMXTMNVXHJQA-ZYHUDNBSSA-N 1 2 289.339 0.054 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001429992446 929547671 /nfs/dbraw/zinc/54/76/71/929547671.db2.gz JFMMXTMNVXHJQA-JQWIXIFHSA-N 1 2 289.339 0.054 20 30 CCEDLO CC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001371896105 929655667 /nfs/dbraw/zinc/65/56/67/929655667.db2.gz XQBCVJRVWVCMQE-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001371896105 929655677 /nfs/dbraw/zinc/65/56/77/929655677.db2.gz XQBCVJRVWVCMQE-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001443594388 929656122 /nfs/dbraw/zinc/65/61/22/929656122.db2.gz CFKZJEICVNLHJR-LBPRGKRZSA-N 1 2 253.390 0.951 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)o1 ZINC001445356527 930114320 /nfs/dbraw/zinc/11/43/20/930114320.db2.gz OIIZMNCFYIQNPC-VHSXEESVSA-N 1 2 279.344 0.947 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001445958505 930295009 /nfs/dbraw/zinc/29/50/09/930295009.db2.gz OSHIUQZQYLFKDK-GARJFASQSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001448033260 930791929 /nfs/dbraw/zinc/79/19/29/930791929.db2.gz LCTCGINTGXZRIW-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001448033260 930791939 /nfs/dbraw/zinc/79/19/39/930791939.db2.gz LCTCGINTGXZRIW-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116098 931054041 /nfs/dbraw/zinc/05/40/41/931054041.db2.gz NNSULDGZEGHHTJ-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116098 931054047 /nfs/dbraw/zinc/05/40/47/931054047.db2.gz NNSULDGZEGHHTJ-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C1=NC(=O)N(C)C1 ZINC001376796602 931278613 /nfs/dbraw/zinc/27/86/13/931278613.db2.gz CIKZEJKHLPYTFF-QMMMGPOBSA-N 1 2 272.736 0.586 20 30 CCEDLO C[N@H+](CCNC(=O)c1cn[nH]n1)Cc1ccc(C#N)s1 ZINC001377186124 931421534 /nfs/dbraw/zinc/42/15/34/931421534.db2.gz ACIKSPYUQNZFNC-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C[N@@H+](CCNC(=O)c1cn[nH]n1)Cc1ccc(C#N)s1 ZINC001377186124 931421537 /nfs/dbraw/zinc/42/15/37/931421537.db2.gz ACIKSPYUQNZFNC-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C[N@H+](CCNC(=O)c1cnn[nH]1)Cc1ccc(C#N)s1 ZINC001377186124 931421540 /nfs/dbraw/zinc/42/15/40/931421540.db2.gz ACIKSPYUQNZFNC-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C[N@@H+](CCNC(=O)c1cnn[nH]1)Cc1ccc(C#N)s1 ZINC001377186124 931421545 /nfs/dbraw/zinc/42/15/45/931421545.db2.gz ACIKSPYUQNZFNC-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000092041731 349481155 /nfs/dbraw/zinc/48/11/55/349481155.db2.gz RQOGGVDSFLGLKS-BXUZGUMPSA-N 1 2 286.335 0.788 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)(C)C ZINC000092805598 349506227 /nfs/dbraw/zinc/50/62/27/349506227.db2.gz WZSZLZAUTGTLRW-LBPRGKRZSA-N 1 2 283.372 0.926 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000600422201 361957693 /nfs/dbraw/zinc/95/76/93/361957693.db2.gz SXKFKARDZYMUBF-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000600422201 361957696 /nfs/dbraw/zinc/95/76/96/361957696.db2.gz SXKFKARDZYMUBF-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO N#Cc1ccsc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000338068129 214385152 /nfs/dbraw/zinc/38/51/52/214385152.db2.gz NMHWATYBSBIXEB-UHFFFAOYSA-N 1 2 289.320 0.571 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001017411314 649848142 /nfs/dbraw/zinc/84/81/42/649848142.db2.gz JFEZLBNWQXZPGR-YVECIDJPSA-N 1 2 276.336 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001017411314 649848144 /nfs/dbraw/zinc/84/81/44/649848144.db2.gz JFEZLBNWQXZPGR-YVECIDJPSA-N 1 2 276.336 0.104 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC000329964795 529790887 /nfs/dbraw/zinc/79/08/87/529790887.db2.gz URWROUWCEWSPQH-NEPJUHHUSA-N 1 2 262.313 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC000329964795 529790888 /nfs/dbraw/zinc/79/08/88/529790888.db2.gz URWROUWCEWSPQH-NEPJUHHUSA-N 1 2 262.313 0.642 20 30 CCEDLO COCCN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000126936462 187271932 /nfs/dbraw/zinc/27/19/32/187271932.db2.gz QCZGAHOCXRMICU-MRXNPFEDSA-N 1 2 289.379 0.856 20 30 CCEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(CCC#N)CC1 ZINC000601611423 362325501 /nfs/dbraw/zinc/32/55/01/362325501.db2.gz FFDMBYYMUQZQAL-UHFFFAOYSA-N 1 2 290.371 0.644 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CCN(C(=O)CC#N)CC2)[nH+]1 ZINC000602125052 362506788 /nfs/dbraw/zinc/50/67/88/362506788.db2.gz YZJFLZFIVBDHNJ-UHFFFAOYSA-N 1 2 289.339 0.099 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000602202991 362555773 /nfs/dbraw/zinc/55/57/73/362555773.db2.gz OKQHHBMSZTZKDG-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO COc1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000602335198 362590553 /nfs/dbraw/zinc/59/05/53/362590553.db2.gz VFBHQHJVTNLVEB-CQSZACIVSA-N 1 2 276.340 0.972 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602467708 362632821 /nfs/dbraw/zinc/63/28/21/362632821.db2.gz IAUYYSVHUJCHCQ-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602467708 362632823 /nfs/dbraw/zinc/63/28/23/362632823.db2.gz IAUYYSVHUJCHCQ-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OC ZINC000602733824 362775519 /nfs/dbraw/zinc/77/55/19/362775519.db2.gz LFXJZLZYNFSIKE-GHMZBOCLSA-N 1 2 254.330 0.753 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602775897 362794338 /nfs/dbraw/zinc/79/43/38/362794338.db2.gz CUHLLVITIJXOKN-UONOGXRCSA-N 1 2 270.373 0.760 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602775897 362794344 /nfs/dbraw/zinc/79/43/44/362794344.db2.gz CUHLLVITIJXOKN-UONOGXRCSA-N 1 2 270.373 0.760 20 30 CCEDLO N#CCC1(C[NH+]2CCN(c3nc(N)ns3)CC2)CC1 ZINC000602799600 362808130 /nfs/dbraw/zinc/80/81/30/362808130.db2.gz ZVZWUMLASGCAQV-UHFFFAOYSA-N 1 2 278.385 0.767 20 30 CCEDLO C[C@H]1C[NH+](Cc2cnns2)C[C@H](C)N1CC#N ZINC000602849529 362837889 /nfs/dbraw/zinc/83/78/89/362837889.db2.gz LYNRTPLGRVXTIO-UWVGGRQHSA-N 1 2 251.359 0.956 20 30 CCEDLO C[C@H](C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)S(C)(=O)=O ZINC000602847340 362834524 /nfs/dbraw/zinc/83/45/24/362834524.db2.gz AKQIWPDYWZKXES-GRYCIOLGSA-N 1 2 273.402 0.338 20 30 CCEDLO C[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)S(C)(=O)=O ZINC000602847340 362834527 /nfs/dbraw/zinc/83/45/27/362834527.db2.gz AKQIWPDYWZKXES-GRYCIOLGSA-N 1 2 273.402 0.338 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000602862780 362846542 /nfs/dbraw/zinc/84/65/42/362846542.db2.gz JTZJGCDZRWKBQE-LLVKDONJSA-N 1 2 266.345 0.007 20 30 CCEDLO CCN1OC[C@H]([NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602853318 362841044 /nfs/dbraw/zinc/84/10/44/362841044.db2.gz HRHOMAZWEQINKY-SRVKXCTJSA-N 1 2 266.345 0.067 20 30 CCEDLO CCOC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857226 362843938 /nfs/dbraw/zinc/84/39/38/362843938.db2.gz PYAFODOYZNRLTO-SRVKXCTJSA-N 1 2 253.346 0.856 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602862111 362847640 /nfs/dbraw/zinc/84/76/40/362847640.db2.gz IWYPFFLNGRPQJC-VHSXEESVSA-N 1 2 254.334 0.748 20 30 CCEDLO COCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343979262 137171327 /nfs/dbraw/zinc/17/13/27/137171327.db2.gz MGCBZFFOTPLJPU-UHFFFAOYSA-N 1 2 283.353 0.305 20 30 CCEDLO COCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343979262 137171328 /nfs/dbraw/zinc/17/13/28/137171328.db2.gz MGCBZFFOTPLJPU-UHFFFAOYSA-N 1 2 283.353 0.305 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016443336 348047858 /nfs/dbraw/zinc/04/78/58/348047858.db2.gz PKHSTXFZWJHHQQ-AOOOYVTPSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016443336 348047861 /nfs/dbraw/zinc/04/78/61/348047861.db2.gz PKHSTXFZWJHHQQ-AOOOYVTPSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016443333 348048429 /nfs/dbraw/zinc/04/84/29/348048429.db2.gz PKHSTXFZWJHHQQ-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO Cc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)c1C#N ZINC000273321156 192111975 /nfs/dbraw/zinc/11/19/75/192111975.db2.gz KHDUVAKOAWLAQL-GFCCVEGCSA-N 1 2 257.341 0.673 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000602885375 362863991 /nfs/dbraw/zinc/86/39/91/362863991.db2.gz VXZUEWFKNPCAGW-VIFPVBQESA-N 1 2 282.369 0.975 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000602885375 362863998 /nfs/dbraw/zinc/86/39/98/362863998.db2.gz VXZUEWFKNPCAGW-VIFPVBQESA-N 1 2 282.369 0.975 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000602899736 362874740 /nfs/dbraw/zinc/87/47/40/362874740.db2.gz RMFHFECVRRTFFP-KOLCDFICSA-N 1 2 253.327 0.332 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000602899736 362874744 /nfs/dbraw/zinc/87/47/44/362874744.db2.gz RMFHFECVRRTFFP-KOLCDFICSA-N 1 2 253.327 0.332 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000602936360 362896720 /nfs/dbraw/zinc/89/67/20/362896720.db2.gz CQJNRDDDVQWGTJ-JTQLQIEISA-N 1 2 279.344 0.550 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000602936360 362896723 /nfs/dbraw/zinc/89/67/23/362896723.db2.gz CQJNRDDDVQWGTJ-JTQLQIEISA-N 1 2 279.344 0.550 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000045026281 348332657 /nfs/dbraw/zinc/33/26/57/348332657.db2.gz KBTYHWYFPQOIQN-UHFFFAOYSA-N 1 2 251.721 0.467 20 30 CCEDLO C[N@H+](CC(=O)N1CCNC1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602973811 362917090 /nfs/dbraw/zinc/91/70/90/362917090.db2.gz FSHJTWWNWDUZHV-NXEZZACHSA-N 1 2 250.302 0.162 20 30 CCEDLO C[N@@H+](CC(=O)N1CCNC1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602973811 362917092 /nfs/dbraw/zinc/91/70/92/362917092.db2.gz FSHJTWWNWDUZHV-NXEZZACHSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@H]1CN(C(=O)c2cscc2C#N)CC[N@@H+]1CCO ZINC000347523242 137340927 /nfs/dbraw/zinc/34/09/27/137340927.db2.gz NRHXZNDVGHGLIE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2cscc2C#N)CC[N@H+]1CCO ZINC000347523242 137340928 /nfs/dbraw/zinc/34/09/28/137340928.db2.gz NRHXZNDVGHGLIE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO N#CCCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000049976211 348462745 /nfs/dbraw/zinc/46/27/45/348462745.db2.gz BIDLKPINWCPKPJ-UHFFFAOYSA-N 1 2 264.373 0.530 20 30 CCEDLO N#CCCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000049976211 348462746 /nfs/dbraw/zinc/46/27/46/348462746.db2.gz BIDLKPINWCPKPJ-UHFFFAOYSA-N 1 2 264.373 0.530 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](C)CCO)c(C#N)c1C ZINC000050104637 348467309 /nfs/dbraw/zinc/46/73/09/348467309.db2.gz XFQOYLOPMWTZJF-UHFFFAOYSA-N 1 2 251.286 0.631 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](C)CCO)c(C#N)c1C ZINC000050104637 348467311 /nfs/dbraw/zinc/46/73/11/348467311.db2.gz XFQOYLOPMWTZJF-UHFFFAOYSA-N 1 2 251.286 0.631 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCNC(=O)CC1 ZINC000054257750 348546256 /nfs/dbraw/zinc/54/62/56/348546256.db2.gz UQVMZHOPHKULMO-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCNC(=O)CC1 ZINC000054257750 348546260 /nfs/dbraw/zinc/54/62/60/348546260.db2.gz UQVMZHOPHKULMO-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000052661222 348513127 /nfs/dbraw/zinc/51/31/27/348513127.db2.gz JJOCWFOEQIQUDL-LBPRGKRZSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000060909036 348649347 /nfs/dbraw/zinc/64/93/47/348649347.db2.gz REAZEHMAYKHXSL-ZDUSSCGKSA-N 1 2 285.413 0.680 20 30 CCEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CC)CCC#N ZINC000064246602 348697513 /nfs/dbraw/zinc/69/75/13/348697513.db2.gz MEUPSKKKDFNPCY-UHFFFAOYSA-N 1 2 282.388 0.549 20 30 CCEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CC)CCC#N ZINC000064246602 348697515 /nfs/dbraw/zinc/69/75/15/348697515.db2.gz MEUPSKKKDFNPCY-UHFFFAOYSA-N 1 2 282.388 0.549 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C[C@@H](C)C#N ZINC000066424768 348743025 /nfs/dbraw/zinc/74/30/25/348743025.db2.gz FVFWJEACISGCDR-JSGCOSHPSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C[C@@H](C)C#N ZINC000066424768 348743028 /nfs/dbraw/zinc/74/30/28/348743028.db2.gz FVFWJEACISGCDR-JSGCOSHPSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)ccn1 ZINC000068766844 348820646 /nfs/dbraw/zinc/82/06/46/348820646.db2.gz RCJCAEKYSUUQBH-OAHLLOKOSA-N 1 2 272.352 0.860 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000073105902 348942983 /nfs/dbraw/zinc/94/29/83/348942983.db2.gz SQXMGWPCSJGLPT-IUODEOHRSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000073105902 348942988 /nfs/dbraw/zinc/94/29/88/348942988.db2.gz SQXMGWPCSJGLPT-IUODEOHRSA-N 1 2 294.399 0.593 20 30 CCEDLO C=CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000618247858 365958296 /nfs/dbraw/zinc/95/82/96/365958296.db2.gz MKRPPYURGBLHQV-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000618247858 365958301 /nfs/dbraw/zinc/95/83/01/365958301.db2.gz MKRPPYURGBLHQV-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000083173273 349303453 /nfs/dbraw/zinc/30/34/53/349303453.db2.gz SAFNTTIBKQXKKD-GHMZBOCLSA-N 1 2 277.349 0.792 20 30 CCEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1=O ZINC000083173273 349303456 /nfs/dbraw/zinc/30/34/56/349303456.db2.gz SAFNTTIBKQXKKD-GHMZBOCLSA-N 1 2 277.349 0.792 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000104788095 186023457 /nfs/dbraw/zinc/02/34/57/186023457.db2.gz VAAHPSIUXBOZBE-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000104788095 186023458 /nfs/dbraw/zinc/02/34/58/186023458.db2.gz VAAHPSIUXBOZBE-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO CC(C)(CNC(=O)c1ccc(C#N)[nH]1)[NH+]1CCOCC1 ZINC000134208516 350357603 /nfs/dbraw/zinc/35/76/03/350357603.db2.gz OREXCZLOYUPLCF-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085989 362955357 /nfs/dbraw/zinc/95/53/57/362955357.db2.gz CPWNGYPURSMLFM-CABZTGNLSA-N 1 2 263.322 0.625 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085989 362955362 /nfs/dbraw/zinc/95/53/62/362955362.db2.gz CPWNGYPURSMLFM-CABZTGNLSA-N 1 2 263.322 0.625 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000151870501 350511769 /nfs/dbraw/zinc/51/17/69/350511769.db2.gz VCAPCRPEVYZLDN-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000151870501 350511773 /nfs/dbraw/zinc/51/17/73/350511773.db2.gz VCAPCRPEVYZLDN-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000154080284 350574757 /nfs/dbraw/zinc/57/47/57/350574757.db2.gz HIYDIUYJDACXOO-SNVBAGLBSA-N 1 2 283.353 0.665 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000154080284 350574761 /nfs/dbraw/zinc/57/47/61/350574761.db2.gz HIYDIUYJDACXOO-SNVBAGLBSA-N 1 2 283.353 0.665 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CC#N)CC(=O)OC ZINC000158768152 350662446 /nfs/dbraw/zinc/66/24/46/350662446.db2.gz YAJCDCJJEGJZTH-SNAWJCMRSA-N 1 2 276.296 0.441 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC)cn2)nn1 ZINC000603225687 363010407 /nfs/dbraw/zinc/01/04/07/363010407.db2.gz GLRHNEZELXVWOT-UHFFFAOYSA-N 1 2 299.334 0.621 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC2(C(=O)OC)CC2)nn1 ZINC000603228372 363011911 /nfs/dbraw/zinc/01/19/11/363011911.db2.gz YYGGBUCZYVXSKV-UHFFFAOYSA-N 1 2 262.313 0.344 20 30 CCEDLO C[C@H](C#N)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193226357 351817377 /nfs/dbraw/zinc/81/73/77/351817377.db2.gz QFWHIHZDTIPESD-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C#N)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193226357 351817380 /nfs/dbraw/zinc/81/73/80/351817380.db2.gz QFWHIHZDTIPESD-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000194612016 351876493 /nfs/dbraw/zinc/87/64/93/351876493.db2.gz LTKANHLWGYGXQW-UHFFFAOYSA-N 1 2 273.336 0.962 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000195673442 351919973 /nfs/dbraw/zinc/91/99/73/351919973.db2.gz GEXJXDWVXPZPIH-GXTWGEPZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000195673442 351919977 /nfs/dbraw/zinc/91/99/77/351919977.db2.gz GEXJXDWVXPZPIH-GXTWGEPZSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000236409722 352194311 /nfs/dbraw/zinc/19/43/11/352194311.db2.gz WPYOIGCRRZATMK-UHFFFAOYSA-N 1 2 291.336 0.518 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603934434 363173631 /nfs/dbraw/zinc/17/36/31/363173631.db2.gz XYIJRLSZFFSBLV-SMDDNHRTSA-N 1 2 282.388 0.497 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603934434 363173634 /nfs/dbraw/zinc/17/36/34/363173634.db2.gz XYIJRLSZFFSBLV-SMDDNHRTSA-N 1 2 282.388 0.497 20 30 CCEDLO C=CC[N@@H+](CCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000265827923 352666261 /nfs/dbraw/zinc/66/62/61/352666261.db2.gz JXFHPORTVZXRPE-CYBMUJFWSA-N 1 2 283.397 0.638 20 30 CCEDLO C=CC[N@H+](CCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000265827923 352666266 /nfs/dbraw/zinc/66/62/66/352666266.db2.gz JXFHPORTVZXRPE-CYBMUJFWSA-N 1 2 283.397 0.638 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265391333 352635248 /nfs/dbraw/zinc/63/52/48/352635248.db2.gz UOTHMFOJVCGQDN-MRXNPFEDSA-N 1 2 298.390 0.907 20 30 CCEDLO CN1CC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265391333 352635249 /nfs/dbraw/zinc/63/52/49/352635249.db2.gz UOTHMFOJVCGQDN-MRXNPFEDSA-N 1 2 298.390 0.907 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000267494511 352770302 /nfs/dbraw/zinc/77/03/02/352770302.db2.gz GXZPGVQWPHFJKZ-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000277457660 353244404 /nfs/dbraw/zinc/24/44/04/353244404.db2.gz OSUCWTBJOKFLNF-CYBMUJFWSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000277962249 353274717 /nfs/dbraw/zinc/27/47/17/353274717.db2.gz LZATXDOPRGPRQN-CQSZACIVSA-N 1 2 291.395 0.412 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000282089271 353391879 /nfs/dbraw/zinc/39/18/79/353391879.db2.gz IBGQLVCXQSBCRQ-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000282089271 353391883 /nfs/dbraw/zinc/39/18/83/353391883.db2.gz IBGQLVCXQSBCRQ-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO Cc1nsc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC000283421158 353507232 /nfs/dbraw/zinc/50/72/32/353507232.db2.gz ATSWTRDLOFWSBO-LLVKDONJSA-N 1 2 296.396 0.453 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287366316 353642058 /nfs/dbraw/zinc/64/20/58/353642058.db2.gz HQSISXIPIXXPDG-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)ccn1 ZINC000619058010 366174358 /nfs/dbraw/zinc/17/43/58/366174358.db2.gz HNJHEJLDLDCNCA-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)ccn1 ZINC000619058010 366174368 /nfs/dbraw/zinc/17/43/68/366174368.db2.gz HNJHEJLDLDCNCA-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO C[N@H+](CC1(C#N)CCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000331843089 354618494 /nfs/dbraw/zinc/61/84/94/354618494.db2.gz ZXFFBELTDHCBGA-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000331843089 354618496 /nfs/dbraw/zinc/61/84/96/354618496.db2.gz ZXFFBELTDHCBGA-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000684622412 545718514 /nfs/dbraw/zinc/71/85/14/545718514.db2.gz UJQAKXGEGJNNNW-UHFFFAOYSA-N 1 2 289.383 0.518 20 30 CCEDLO N#Cc1ncn(Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000336726619 355151866 /nfs/dbraw/zinc/15/18/66/355151866.db2.gz LJQWZEGDQYVCPH-UHFFFAOYSA-N 1 2 256.191 0.957 20 30 CCEDLO Cc1cc(NCCCN2C(=O)CCC2=O)c(C#N)c[nH+]1 ZINC000425234369 235275542 /nfs/dbraw/zinc/27/55/42/235275542.db2.gz YZOIVYARSATSLV-UHFFFAOYSA-N 1 2 272.308 0.635 20 30 CCEDLO C[C@H](C(=O)NCCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000340600517 355584939 /nfs/dbraw/zinc/58/49/39/355584939.db2.gz ZLEQDPDSNITEGQ-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO N#Cc1ncn(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000427142367 235353304 /nfs/dbraw/zinc/35/33/04/235353304.db2.gz DEMMMPBZKRXMSE-GFCCVEGCSA-N 1 2 298.306 0.225 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347182713 355876874 /nfs/dbraw/zinc/87/68/74/355876874.db2.gz AGNGLJMKESATFY-MNOVXSKESA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(C)(C)C#N ZINC000347182713 355876877 /nfs/dbraw/zinc/87/68/77/355876877.db2.gz AGNGLJMKESATFY-MNOVXSKESA-N 1 2 254.330 0.925 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091752988 283151143 /nfs/dbraw/zinc/15/11/43/283151143.db2.gz CMHIMGZKMBFCDL-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091752988 283151144 /nfs/dbraw/zinc/15/11/44/283151144.db2.gz CMHIMGZKMBFCDL-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000609538195 363504043 /nfs/dbraw/zinc/50/40/43/363504043.db2.gz IXWDJOXIYPQAIG-HNNXBMFYSA-N 1 2 280.416 0.484 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cccnc2)CC1 ZINC000619719956 366339888 /nfs/dbraw/zinc/33/98/88/366339888.db2.gz PCHFIKPHCWXFNF-AWEZNQCLSA-N 1 2 275.352 0.927 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000619715996 366332354 /nfs/dbraw/zinc/33/23/54/366332354.db2.gz GZFZRYDAMCMQSF-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO CCC[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000619783953 366352516 /nfs/dbraw/zinc/35/25/16/366352516.db2.gz QFFAJBBJPFUWFD-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000619783953 366352522 /nfs/dbraw/zinc/35/25/22/366352522.db2.gz QFFAJBBJPFUWFD-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO N#Cc1csc(C[NH+]2CCC(OCCO)CC2)n1 ZINC000356133153 356709121 /nfs/dbraw/zinc/70/91/21/356709121.db2.gz IUGMTAHEDYFVGY-UHFFFAOYSA-N 1 2 267.354 0.988 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000359219650 356788272 /nfs/dbraw/zinc/78/82/72/356788272.db2.gz FZIDHGPEJDFYNX-NWDGAFQWSA-N 1 2 276.340 0.506 20 30 CCEDLO Cn1cc(C[NH2+]Cc2nnnn2CC2CC2)cc1C#N ZINC000359672325 356868083 /nfs/dbraw/zinc/86/80/83/356868083.db2.gz CIPRORRMWFXWGL-UHFFFAOYSA-N 1 2 271.328 0.583 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1C#N ZINC000377253006 357557980 /nfs/dbraw/zinc/55/79/80/357557980.db2.gz XOFMAZWJCLIDIL-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451636570 236174617 /nfs/dbraw/zinc/17/46/17/236174617.db2.gz VCMOBQNJUUQDNR-TXEJJXNPSA-N 1 2 289.722 0.916 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451636570 236174618 /nfs/dbraw/zinc/17/46/18/236174618.db2.gz VCMOBQNJUUQDNR-TXEJJXNPSA-N 1 2 289.722 0.916 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487589493 358286128 /nfs/dbraw/zinc/28/61/28/358286128.db2.gz JMZALVKENAKOCJ-UHFFFAOYSA-N 1 2 277.372 0.779 20 30 CCEDLO Cn1nccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493585287 358309277 /nfs/dbraw/zinc/30/92/77/358309277.db2.gz HVVRRVJFRYAUNX-CFHLNLSMSA-N 1 2 261.329 0.393 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204376 358832886 /nfs/dbraw/zinc/83/28/86/358832886.db2.gz QZDXDEGLFVTMGA-SMDDNHRTSA-N 1 2 263.341 0.868 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204376 358832888 /nfs/dbraw/zinc/83/28/88/358832888.db2.gz QZDXDEGLFVTMGA-SMDDNHRTSA-N 1 2 263.341 0.868 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccncc2C#N)C1 ZINC000570322647 358844945 /nfs/dbraw/zinc/84/49/45/358844945.db2.gz FYHHVQRNDBNEDF-GFCCVEGCSA-N 1 2 288.351 0.672 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccncc2C#N)C1 ZINC000570322647 358844948 /nfs/dbraw/zinc/84/49/48/358844948.db2.gz FYHHVQRNDBNEDF-GFCCVEGCSA-N 1 2 288.351 0.672 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588975754 359355664 /nfs/dbraw/zinc/35/56/64/359355664.db2.gz JEJIFZHMGHQYTK-VIFPVBQESA-N 1 2 292.364 0.756 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588975754 359355668 /nfs/dbraw/zinc/35/56/68/359355668.db2.gz JEJIFZHMGHQYTK-VIFPVBQESA-N 1 2 292.364 0.756 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)nc1 ZINC000590604628 359499109 /nfs/dbraw/zinc/49/91/09/359499109.db2.gz LCYHVGVYMILLMY-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO COCc1nc(CNC[C@H](O)C[N@H+](C)CCC#N)cs1 ZINC000591768105 359656173 /nfs/dbraw/zinc/65/61/73/359656173.db2.gz NKINUVILFKXJRR-LBPRGKRZSA-N 1 2 298.412 0.585 20 30 CCEDLO COCc1nc(CNC[C@H](O)C[N@@H+](C)CCC#N)cs1 ZINC000591768105 359656175 /nfs/dbraw/zinc/65/61/75/359656175.db2.gz NKINUVILFKXJRR-LBPRGKRZSA-N 1 2 298.412 0.585 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000592107225 359757661 /nfs/dbraw/zinc/75/76/61/359757661.db2.gz GISHVXHMGYJHIZ-ZDUSSCGKSA-N 1 2 254.297 0.992 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000592107225 359757666 /nfs/dbraw/zinc/75/76/66/359757666.db2.gz GISHVXHMGYJHIZ-ZDUSSCGKSA-N 1 2 254.297 0.992 20 30 CCEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592154908 359772027 /nfs/dbraw/zinc/77/20/27/359772027.db2.gz VTWBAWIATSWMID-ZWNOBZJWSA-N 1 2 262.313 0.902 20 30 CCEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592154908 359772030 /nfs/dbraw/zinc/77/20/30/359772030.db2.gz VTWBAWIATSWMID-ZWNOBZJWSA-N 1 2 262.313 0.902 20 30 CCEDLO COC(=O)c1ccoc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146906 359765336 /nfs/dbraw/zinc/76/53/36/359765336.db2.gz GWJSGOHMQHVCOQ-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1ccoc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146906 359765338 /nfs/dbraw/zinc/76/53/38/359765338.db2.gz GWJSGOHMQHVCOQ-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000592147541 359765659 /nfs/dbraw/zinc/76/56/59/359765659.db2.gz PYBYFSYAWSNJRO-AWEZNQCLSA-N 1 2 285.307 0.982 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000592147541 359765664 /nfs/dbraw/zinc/76/56/64/359765664.db2.gz PYBYFSYAWSNJRO-AWEZNQCLSA-N 1 2 285.307 0.982 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148307 359766963 /nfs/dbraw/zinc/76/69/63/359766963.db2.gz UBCOYGFCQBRGIX-YPMHNXCESA-N 1 2 253.346 0.498 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148307 359766966 /nfs/dbraw/zinc/76/69/66/359766966.db2.gz UBCOYGFCQBRGIX-YPMHNXCESA-N 1 2 253.346 0.498 20 30 CCEDLO COc1ccnc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1OC ZINC000592150119 359768714 /nfs/dbraw/zinc/76/87/14/359768714.db2.gz BCKCDJJXPOWZLH-CQSZACIVSA-N 1 2 277.324 0.949 20 30 CCEDLO COc1ccnc(C[N@H+]2CC[C@](O)(CC#N)C2)c1OC ZINC000592150119 359768718 /nfs/dbraw/zinc/76/87/18/359768718.db2.gz BCKCDJJXPOWZLH-CQSZACIVSA-N 1 2 277.324 0.949 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)nn2)CC1 ZINC000611153051 363666763 /nfs/dbraw/zinc/66/67/63/363666763.db2.gz BRDABGACHZNGDI-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611204872 363680794 /nfs/dbraw/zinc/68/07/94/363680794.db2.gz DZZVGFVAROMMIE-DOMZBBRYSA-N 1 2 296.415 0.839 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611204872 363680795 /nfs/dbraw/zinc/68/07/95/363680795.db2.gz DZZVGFVAROMMIE-DOMZBBRYSA-N 1 2 296.415 0.839 20 30 CCEDLO CN(C)c1[nH+]cccc1CNc1ccc(C#N)nn1 ZINC000611239588 363693205 /nfs/dbraw/zinc/69/32/05/363693205.db2.gz NTZWEFWLKGSHRV-UHFFFAOYSA-N 1 2 254.297 0.843 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297866663 200296109 /nfs/dbraw/zinc/29/61/09/200296109.db2.gz NKLXDWPTNMQBDO-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000297948448 200307403 /nfs/dbraw/zinc/30/74/03/200307403.db2.gz UKDZGHUIAKIDBE-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000593155023 360048492 /nfs/dbraw/zinc/04/84/92/360048492.db2.gz YQRRXCDHDJMZEF-UZWSLXQKSA-N 1 2 251.330 0.371 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093334 360034109 /nfs/dbraw/zinc/03/41/09/360034109.db2.gz DWPFPAIXOKRTRS-VNVDIYFQSA-N 1 2 283.397 0.246 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093334 360034114 /nfs/dbraw/zinc/03/41/14/360034114.db2.gz DWPFPAIXOKRTRS-VNVDIYFQSA-N 1 2 283.397 0.246 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000593418167 360085013 /nfs/dbraw/zinc/08/50/13/360085013.db2.gz GHXSTJIYCWARCJ-GXTWGEPZSA-N 1 2 297.424 0.860 20 30 CCEDLO Cc1cnccc1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000594003498 360231403 /nfs/dbraw/zinc/23/14/03/360231403.db2.gz MUNLROZPPPFTHJ-UHFFFAOYSA-N 1 2 272.352 0.990 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(n1)OCCO2 ZINC000594024529 360237147 /nfs/dbraw/zinc/23/71/47/360237147.db2.gz NGDJUQZILUFNAN-AWEZNQCLSA-N 1 2 290.323 0.426 20 30 CCEDLO C=CC[N@@H+](CCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000177057823 189024904 /nfs/dbraw/zinc/02/49/04/189024904.db2.gz QLCRWSJBQVLWBX-JTQLQIEISA-N 1 2 261.343 0.225 20 30 CCEDLO C=CC[N@H+](CCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000177057823 189024905 /nfs/dbraw/zinc/02/49/05/189024905.db2.gz QLCRWSJBQVLWBX-JTQLQIEISA-N 1 2 261.343 0.225 20 30 CCEDLO N#Cc1nccc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000594568692 360331972 /nfs/dbraw/zinc/33/19/72/360331972.db2.gz KVSMZZOCZQDQCU-NSHDSACASA-N 1 2 266.308 0.856 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594648864 360347371 /nfs/dbraw/zinc/34/73/71/360347371.db2.gz DZTDZZIRFGXIAP-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594648864 360347376 /nfs/dbraw/zinc/34/73/76/360347376.db2.gz DZTDZZIRFGXIAP-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CC(N)=O)CC1 ZINC000177272306 189040860 /nfs/dbraw/zinc/04/08/60/189040860.db2.gz QNRPGHBOFGGYBS-UHFFFAOYSA-N 1 2 276.315 0.300 20 30 CCEDLO CCn1nc2c(cc1=O)C[N@@H+](CC1(C#N)CC1)CC2 ZINC000611430064 363716903 /nfs/dbraw/zinc/71/69/03/363716903.db2.gz UXUKFPWALRODIQ-UHFFFAOYSA-N 1 2 258.325 0.925 20 30 CCEDLO CCn1nc2c(cc1=O)C[N@H+](CC1(C#N)CC1)CC2 ZINC000611430064 363716909 /nfs/dbraw/zinc/71/69/09/363716909.db2.gz UXUKFPWALRODIQ-UHFFFAOYSA-N 1 2 258.325 0.925 20 30 CCEDLO Cc1cn2ccc(NC(=O)C(=O)N(C)CCC#N)cc2[nH+]1 ZINC000594993033 360430854 /nfs/dbraw/zinc/43/08/54/360430854.db2.gz CATWYGGJNMNQIY-UHFFFAOYSA-N 1 2 285.307 0.953 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c[nH]nn1 ZINC000595339410 360500169 /nfs/dbraw/zinc/50/01/69/360500169.db2.gz OIBWSTFCSUSEBQ-NSHDSACASA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c[nH]nn1 ZINC000595339410 360500171 /nfs/dbraw/zinc/50/01/71/360500171.db2.gz OIBWSTFCSUSEBQ-NSHDSACASA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1cn[nH]n1 ZINC000595339410 360500173 /nfs/dbraw/zinc/50/01/73/360500173.db2.gz OIBWSTFCSUSEBQ-NSHDSACASA-N 1 2 298.354 0.220 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1cn[nH]n1 ZINC000595339410 360500176 /nfs/dbraw/zinc/50/01/76/360500176.db2.gz OIBWSTFCSUSEBQ-NSHDSACASA-N 1 2 298.354 0.220 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(C)(C#N)CC1 ZINC000595428694 360529576 /nfs/dbraw/zinc/52/95/76/360529576.db2.gz GROOWLKJTZTCAW-WDEREUQCSA-N 1 2 272.370 0.424 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000595392406 360517701 /nfs/dbraw/zinc/51/77/01/360517701.db2.gz RWRMVCGSUGCDRJ-GFCCVEGCSA-N 1 2 250.346 0.138 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000595531275 360567545 /nfs/dbraw/zinc/56/75/45/360567545.db2.gz VPENIMWDROXSIN-VIFPVBQESA-N 1 2 257.315 0.709 20 30 CCEDLO N#Cc1csc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)n1 ZINC000595490932 360548652 /nfs/dbraw/zinc/54/86/52/360548652.db2.gz UCDJZJVLRJZNOR-UHFFFAOYSA-N 1 2 289.368 0.925 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595176 360593050 /nfs/dbraw/zinc/59/30/50/360593050.db2.gz DICQOKNPIWXKMK-ZDUSSCGKSA-N 1 2 263.345 0.896 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595176 360593055 /nfs/dbraw/zinc/59/30/55/360593055.db2.gz DICQOKNPIWXKMK-ZDUSSCGKSA-N 1 2 263.345 0.896 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607268 360595042 /nfs/dbraw/zinc/59/50/42/360595042.db2.gz KHCNPNZBBCIXTH-MNOVXSKESA-N 1 2 250.302 0.328 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607268 360595047 /nfs/dbraw/zinc/59/50/47/360595047.db2.gz KHCNPNZBBCIXTH-MNOVXSKESA-N 1 2 250.302 0.328 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000595650344 360606082 /nfs/dbraw/zinc/60/60/82/360606082.db2.gz XYMAQKQLHOAVHB-CYBMUJFWSA-N 1 2 261.329 0.908 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838369 360674894 /nfs/dbraw/zinc/67/48/94/360674894.db2.gz AZHZFKKYPUIGKI-XUJVJEKNSA-N 1 2 292.383 0.334 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838369 360674895 /nfs/dbraw/zinc/67/48/95/360674895.db2.gz AZHZFKKYPUIGKI-XUJVJEKNSA-N 1 2 292.383 0.334 20 30 CCEDLO CC(C)(CNc1cc(C#N)cnn1)[NH+]1CCS(=O)CC1 ZINC000596134912 360808223 /nfs/dbraw/zinc/80/82/23/360808223.db2.gz AZDBZIJWSBAISI-UHFFFAOYSA-N 1 2 293.396 0.025 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(c3cc(C#N)cnn3)C2)CC1 ZINC000596124903 360803850 /nfs/dbraw/zinc/80/38/50/360803850.db2.gz ZMOKAVOTQCOTCN-CQSZACIVSA-N 1 2 286.383 0.564 20 30 CCEDLO N#Cc1cnnc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000596210020 360835732 /nfs/dbraw/zinc/83/57/32/360835732.db2.gz DQZNZEGGEZKVBV-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cncc(C#N)n1 ZINC000596432133 360893250 /nfs/dbraw/zinc/89/32/50/360893250.db2.gz QNFKHNKJEMFXLE-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cncc(C#N)n1 ZINC000596432133 360893253 /nfs/dbraw/zinc/89/32/53/360893253.db2.gz QNFKHNKJEMFXLE-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1cnc(N(CC[NH+]2CCOCC2)CC2CC2)cn1 ZINC000596516355 360913604 /nfs/dbraw/zinc/91/36/04/360913604.db2.gz FJCSRUUTVLZIRI-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ncncc2C#N)[C@H](C)CO1 ZINC000596426473 360890485 /nfs/dbraw/zinc/89/04/85/360890485.db2.gz AKDFWAJERBGNIT-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ncncc2C#N)[C@H](C)CO1 ZINC000596426473 360890488 /nfs/dbraw/zinc/89/04/88/360890488.db2.gz AKDFWAJERBGNIT-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO N#CC1(CC(=O)NCC[NH+]2CCOCC2)CCOCC1 ZINC000596627128 360932091 /nfs/dbraw/zinc/93/20/91/360932091.db2.gz WQLPCSSHYSKASH-UHFFFAOYSA-N 1 2 281.356 0.145 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000597261444 361044219 /nfs/dbraw/zinc/04/42/19/361044219.db2.gz PBPPVHBOTYWJQV-JTQLQIEISA-N 1 2 284.323 0.685 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000597261444 361044223 /nfs/dbraw/zinc/04/42/23/361044223.db2.gz PBPPVHBOTYWJQV-JTQLQIEISA-N 1 2 284.323 0.685 20 30 CCEDLO N#CC1(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000597419493 361091543 /nfs/dbraw/zinc/09/15/43/361091543.db2.gz GWCXCNATCSSDHU-AWEZNQCLSA-N 1 2 290.411 0.967 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000597544939 361134310 /nfs/dbraw/zinc/13/43/10/361134310.db2.gz FKZBVDSVZGQCRH-GIPNMCIBSA-N 1 2 262.288 0.988 20 30 CCEDLO N#CCCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597625810 361167217 /nfs/dbraw/zinc/16/72/17/361167217.db2.gz QTEJFPQGHFUQFW-CQSZACIVSA-N 1 2 278.400 0.967 20 30 CCEDLO N#CCCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597625810 361167220 /nfs/dbraw/zinc/16/72/20/361167220.db2.gz QTEJFPQGHFUQFW-CQSZACIVSA-N 1 2 278.400 0.967 20 30 CCEDLO N#CCSCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708978 361205104 /nfs/dbraw/zinc/20/51/04/361205104.db2.gz DKGVKXKADLFNKY-GFCCVEGCSA-N 1 2 283.397 0.566 20 30 CCEDLO COC(=O)[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000611614013 363750201 /nfs/dbraw/zinc/75/02/01/363750201.db2.gz ASXNDLCKKOUPPJ-LBPRGKRZSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)o1 ZINC000598837855 361523128 /nfs/dbraw/zinc/52/31/28/361523128.db2.gz YWKXXLPDPGNZKL-CQSZACIVSA-N 1 2 293.323 0.948 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598945848 361536268 /nfs/dbraw/zinc/53/62/68/361536268.db2.gz CXGKJBSPJAEOKE-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000599191621 361606723 /nfs/dbraw/zinc/60/67/23/361606723.db2.gz ATWXCMDGDVQOKZ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000599191621 361606726 /nfs/dbraw/zinc/60/67/26/361606726.db2.gz ATWXCMDGDVQOKZ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000599537993 361729506 /nfs/dbraw/zinc/72/95/06/361729506.db2.gz DLPCRXBMQRRBIM-UHFFFAOYSA-N 1 2 287.385 0.026 20 30 CCEDLO C[C@]1(C#N)CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000612162090 363858941 /nfs/dbraw/zinc/85/89/41/363858941.db2.gz KBSYGDCAOIBOTF-UONOGXRCSA-N 1 2 267.373 0.305 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1c[nH+]cn1C ZINC000613413406 364241883 /nfs/dbraw/zinc/24/18/83/364241883.db2.gz PFCOVSYWQKOYBB-ZDUSSCGKSA-N 1 2 278.356 0.550 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000614401327 364594659 /nfs/dbraw/zinc/59/46/59/364594659.db2.gz CHTVPUGIWYIAFW-ZDUSSCGKSA-N 1 2 261.325 0.586 20 30 CCEDLO CC1(C)CN(S(=O)(=O)CCCC#N)CC[N@@H+]1CCO ZINC000614854114 364755948 /nfs/dbraw/zinc/75/59/48/364755948.db2.gz QRJOFDLGMZOTNF-UHFFFAOYSA-N 1 2 289.401 0.008 20 30 CCEDLO CC1(C)CN(S(=O)(=O)CCCC#N)CC[N@H+]1CCO ZINC000614854114 364755952 /nfs/dbraw/zinc/75/59/52/364755952.db2.gz QRJOFDLGMZOTNF-UHFFFAOYSA-N 1 2 289.401 0.008 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921144 365469666 /nfs/dbraw/zinc/46/96/66/365469666.db2.gz GTNOEBYAQVHUSM-LBPRGKRZSA-N 1 2 264.329 0.839 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921144 365469668 /nfs/dbraw/zinc/46/96/68/365469668.db2.gz GTNOEBYAQVHUSM-LBPRGKRZSA-N 1 2 264.329 0.839 20 30 CCEDLO C=CCCCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624735303 367976698 /nfs/dbraw/zinc/97/66/98/367976698.db2.gz QOKVKHXCZWTINB-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624735303 367976702 /nfs/dbraw/zinc/97/67/02/367976702.db2.gz QOKVKHXCZWTINB-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cn[nH]c3)CC2)C1=O ZINC000625474574 368215289 /nfs/dbraw/zinc/21/52/89/368215289.db2.gz OOPJDDUKRMZKMO-CQSZACIVSA-N 1 2 289.383 0.314 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)c1F ZINC000330601680 203024698 /nfs/dbraw/zinc/02/46/98/203024698.db2.gz GPKITTCMVUJSPQ-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)c1F ZINC000330601680 203024702 /nfs/dbraw/zinc/02/47/02/203024702.db2.gz GPKITTCMVUJSPQ-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915623 369454908 /nfs/dbraw/zinc/45/49/08/369454908.db2.gz TULIRBSCAQEKCE-TZMCWYRMSA-N 1 2 270.373 0.662 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915623 369454913 /nfs/dbraw/zinc/45/49/13/369454913.db2.gz TULIRBSCAQEKCE-TZMCWYRMSA-N 1 2 270.373 0.662 20 30 CCEDLO Cc1cc(NC2CCC3(CC2)NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000333404469 205291930 /nfs/dbraw/zinc/29/19/30/205291930.db2.gz GFIWSHBVKHLTJV-UHFFFAOYSA-N 1 2 299.334 0.616 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC000639849263 376063135 /nfs/dbraw/zinc/06/31/35/376063135.db2.gz TVBGGYREJHWEPZ-QWHCGFSZSA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC000639849263 376063147 /nfs/dbraw/zinc/06/31/47/376063147.db2.gz TVBGGYREJHWEPZ-QWHCGFSZSA-N 1 2 266.345 0.172 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCC(C)(C)C)nn1 ZINC000640976631 376645864 /nfs/dbraw/zinc/64/58/64/376645864.db2.gz QBBDZJGFPADHLP-UHFFFAOYSA-N 1 2 291.399 0.943 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cnnn2CC)nn1 ZINC000641177438 376849413 /nfs/dbraw/zinc/84/94/13/376849413.db2.gz UMDAYKIVQBCIRF-UHFFFAOYSA-N 1 2 259.317 0.051 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCc3ncnn32)nn1 ZINC000641186141 376861815 /nfs/dbraw/zinc/86/18/15/376861815.db2.gz FLKYBJNMQZDWCR-GFCCVEGCSA-N 1 2 271.328 0.170 20 30 CCEDLO CC#CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000278609254 194066403 /nfs/dbraw/zinc/06/64/03/194066403.db2.gz LTMILRNSOFYPNV-UHFFFAOYSA-N 1 2 277.368 0.166 20 30 CCEDLO CC#CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000278609254 194066405 /nfs/dbraw/zinc/06/64/05/194066405.db2.gz LTMILRNSOFYPNV-UHFFFAOYSA-N 1 2 277.368 0.166 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000657387253 412978456 /nfs/dbraw/zinc/97/84/56/412978456.db2.gz NPNJUWXZRASZLE-LLVKDONJSA-N 1 2 275.356 0.707 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@]2(CO)CCOC2)nn1 ZINC000657436946 412989785 /nfs/dbraw/zinc/98/97/85/412989785.db2.gz WLAMWNWLJBOMAG-LBPRGKRZSA-N 1 2 252.318 0.095 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331429502 533173620 /nfs/dbraw/zinc/17/36/20/533173620.db2.gz GGMQQLQUDURTKP-WCQYABFASA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331429502 533173622 /nfs/dbraw/zinc/17/36/22/533173622.db2.gz GGMQQLQUDURTKP-WCQYABFASA-N 1 2 265.357 0.858 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183360618 388753025 /nfs/dbraw/zinc/75/30/25/388753025.db2.gz MLUOJDBJYYHEGO-ZDUSSCGKSA-N 1 2 277.299 0.919 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183360618 388753028 /nfs/dbraw/zinc/75/30/28/388753028.db2.gz MLUOJDBJYYHEGO-ZDUSSCGKSA-N 1 2 277.299 0.919 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285503337 388793327 /nfs/dbraw/zinc/79/33/27/388793327.db2.gz MWILNHRQUHJKNF-LLVKDONJSA-N 1 2 274.320 0.725 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285503337 388793330 /nfs/dbraw/zinc/79/33/30/388793330.db2.gz MWILNHRQUHJKNF-LLVKDONJSA-N 1 2 274.320 0.725 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000291184494 388919158 /nfs/dbraw/zinc/91/91/58/388919158.db2.gz HQAPVWJPRMRGRE-NSHDSACASA-N 1 2 274.324 0.989 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057872460 388933952 /nfs/dbraw/zinc/93/39/52/388933952.db2.gz USDNKDXNJGETNL-UHFFFAOYSA-N 1 2 273.340 0.878 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907732 388934163 /nfs/dbraw/zinc/93/41/63/388934163.db2.gz XVPKEZWTWBIHLB-UHFFFAOYSA-N 1 2 252.318 0.458 20 30 CCEDLO C#CC[N@@H+](CCCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000066539254 388945219 /nfs/dbraw/zinc/94/52/19/388945219.db2.gz SCYCCNGMPSYUMJ-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@H+](CCCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000066539254 388945220 /nfs/dbraw/zinc/94/52/20/388945220.db2.gz SCYCCNGMPSYUMJ-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO N#CCCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014506 388956583 /nfs/dbraw/zinc/95/65/83/388956583.db2.gz JURXQKVKROJBHO-CHWSQXEVSA-N 1 2 286.397 0.958 20 30 CCEDLO N#CCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014506 388956584 /nfs/dbraw/zinc/95/65/84/388956584.db2.gz JURXQKVKROJBHO-CHWSQXEVSA-N 1 2 286.397 0.958 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1CC ZINC000192221952 389028221 /nfs/dbraw/zinc/02/82/21/389028221.db2.gz WONUOPORURGSIN-UHFFFAOYSA-N 1 2 287.363 0.869 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1CC ZINC000192221952 389028225 /nfs/dbraw/zinc/02/82/25/389028225.db2.gz WONUOPORURGSIN-UHFFFAOYSA-N 1 2 287.363 0.869 20 30 CCEDLO N#CCC1(O)CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000191920002 389021045 /nfs/dbraw/zinc/02/10/45/389021045.db2.gz KDDIRUHBKDHQBZ-UHFFFAOYSA-N 1 2 267.292 0.666 20 30 CCEDLO C=CCCC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000354398756 389022657 /nfs/dbraw/zinc/02/26/57/389022657.db2.gz ZRVVWVBVNBWSMC-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)ccn1 ZINC000355286338 389053261 /nfs/dbraw/zinc/05/32/61/389053261.db2.gz QONIZVMDNAGLMZ-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)ccn1 ZINC000355286338 389053264 /nfs/dbraw/zinc/05/32/64/389053264.db2.gz QONIZVMDNAGLMZ-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2C[C@H](C)O)C1=O ZINC000337206839 389054970 /nfs/dbraw/zinc/05/49/70/389054970.db2.gz NIKITCDUKRTZSC-AVGNSLFASA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2C[C@H](C)O)C1=O ZINC000337206839 389054972 /nfs/dbraw/zinc/05/49/72/389054972.db2.gz NIKITCDUKRTZSC-AVGNSLFASA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1=O ZINC000337207853 389055776 /nfs/dbraw/zinc/05/57/76/389055776.db2.gz PKIDJXUCMQDITP-WPRPVWTQSA-N 1 2 250.302 0.816 20 30 CCEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000337259440 389057895 /nfs/dbraw/zinc/05/78/95/389057895.db2.gz PBINIKIAKIUJNA-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000337259440 389057897 /nfs/dbraw/zinc/05/78/97/389057897.db2.gz PBINIKIAKIUJNA-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000102402450 389074784 /nfs/dbraw/zinc/07/47/84/389074784.db2.gz APEWSVZRUPQHKS-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000102402450 389074787 /nfs/dbraw/zinc/07/47/87/389074787.db2.gz APEWSVZRUPQHKS-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO N#CCC1(O)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000193987159 389084895 /nfs/dbraw/zinc/08/48/95/389084895.db2.gz MCDISWAEGQKUQG-ZDUSSCGKSA-N 1 2 293.367 0.117 20 30 CCEDLO N#CCC1(O)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000193987159 389084898 /nfs/dbraw/zinc/08/48/98/389084898.db2.gz MCDISWAEGQKUQG-ZDUSSCGKSA-N 1 2 293.367 0.117 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000120568237 389143809 /nfs/dbraw/zinc/14/38/09/389143809.db2.gz IAQBIKTZLYQNCX-CQSZACIVSA-N 1 2 297.399 0.876 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000328894649 389143937 /nfs/dbraw/zinc/14/39/37/389143937.db2.gz AYGXIUIGXAMDIF-WCQYABFASA-N 1 2 278.356 0.733 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000328894649 389143938 /nfs/dbraw/zinc/14/39/38/389143938.db2.gz AYGXIUIGXAMDIF-WCQYABFASA-N 1 2 278.356 0.733 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC1CCCC1 ZINC000328902895 389144316 /nfs/dbraw/zinc/14/43/16/389144316.db2.gz HEASSTBRSHJDLD-JTQLQIEISA-N 1 2 280.328 0.962 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC1CCCC1 ZINC000328902895 389144318 /nfs/dbraw/zinc/14/43/18/389144318.db2.gz HEASSTBRSHJDLD-JTQLQIEISA-N 1 2 280.328 0.962 20 30 CCEDLO CCC[N@@H+](CC#N)CCC(=O)N(C)CC(=O)OC ZINC000111205129 389102550 /nfs/dbraw/zinc/10/25/50/389102550.db2.gz FMQZIQLGOHDMPZ-UHFFFAOYSA-N 1 2 255.318 0.243 20 30 CCEDLO CCC[N@H+](CC#N)CCC(=O)N(C)CC(=O)OC ZINC000111205129 389102551 /nfs/dbraw/zinc/10/25/51/389102551.db2.gz FMQZIQLGOHDMPZ-UHFFFAOYSA-N 1 2 255.318 0.243 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000355637598 389106637 /nfs/dbraw/zinc/10/66/37/389106637.db2.gz UKAJHLHCALSSDA-SNVBAGLBSA-N 1 2 250.327 0.810 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000355637598 389106639 /nfs/dbraw/zinc/10/66/39/389106639.db2.gz UKAJHLHCALSSDA-SNVBAGLBSA-N 1 2 250.327 0.810 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328990550 389148150 /nfs/dbraw/zinc/14/81/50/389148150.db2.gz DACFHSJDXOUJEH-SNVBAGLBSA-N 1 2 295.412 0.915 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328990550 389148151 /nfs/dbraw/zinc/14/81/51/389148151.db2.gz DACFHSJDXOUJEH-SNVBAGLBSA-N 1 2 295.412 0.915 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOCCC#N ZINC000338993749 389120520 /nfs/dbraw/zinc/12/05/20/389120520.db2.gz ZFTHLSOIVGLIJZ-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOCCC#N ZINC000338993749 389120522 /nfs/dbraw/zinc/12/05/22/389120522.db2.gz ZFTHLSOIVGLIJZ-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO CC(C)CN1CC[N@H+](CCOCCC#N)CC1=O ZINC000339100184 389126030 /nfs/dbraw/zinc/12/60/30/389126030.db2.gz VMRGEFXGXKCTND-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO CC(C)CN1CC[N@@H+](CCOCCC#N)CC1=O ZINC000339100184 389126031 /nfs/dbraw/zinc/12/60/31/389126031.db2.gz VMRGEFXGXKCTND-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO O=C(NCC#CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000339189841 389127591 /nfs/dbraw/zinc/12/75/91/389127591.db2.gz TXIYUZNOXPMENX-UHFFFAOYSA-N 1 2 255.277 0.598 20 30 CCEDLO N#CCCOCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000339192518 389128319 /nfs/dbraw/zinc/12/83/19/389128319.db2.gz REGOGIFOFGWJRJ-OLZOCXBDSA-N 1 2 254.330 0.796 20 30 CCEDLO N#CCCOCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000339192518 389128320 /nfs/dbraw/zinc/12/83/20/389128320.db2.gz REGOGIFOFGWJRJ-OLZOCXBDSA-N 1 2 254.330 0.796 20 30 CCEDLO C=CCCOCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000122167864 389150461 /nfs/dbraw/zinc/15/04/61/389150461.db2.gz MJCQJULXHITMRR-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 ZINC000328811583 389138792 /nfs/dbraw/zinc/13/87/92/389138792.db2.gz MUSKJJSJJJZSNC-NXEZZACHSA-N 1 2 292.426 0.567 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 ZINC000328811583 389138794 /nfs/dbraw/zinc/13/87/94/389138794.db2.gz MUSKJJSJJJZSNC-NXEZZACHSA-N 1 2 292.426 0.567 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329637198 389180197 /nfs/dbraw/zinc/18/01/97/389180197.db2.gz YNRNMBGOMHFCJR-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329637198 389180198 /nfs/dbraw/zinc/18/01/98/389180198.db2.gz YNRNMBGOMHFCJR-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOC3)C[C@@H]21 ZINC000329655998 389182809 /nfs/dbraw/zinc/18/28/09/389182809.db2.gz MLZNLIIXBZTILO-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOC3)C[C@@H]21 ZINC000329655998 389182812 /nfs/dbraw/zinc/18/28/12/389182812.db2.gz MLZNLIIXBZTILO-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCc1c[nH+]cn1C ZINC000360119628 389191599 /nfs/dbraw/zinc/19/15/99/389191599.db2.gz QCNZUNWSTABHQZ-SNVBAGLBSA-N 1 2 252.318 0.404 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342222289 389201249 /nfs/dbraw/zinc/20/12/49/389201249.db2.gz QPHSCADQWFXWCM-CMPLNLGQSA-N 1 2 276.365 0.913 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329808448 389203576 /nfs/dbraw/zinc/20/35/76/389203576.db2.gz AQRWHNHSQSOAIT-MELADBBJSA-N 1 2 295.383 0.817 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329808448 389203578 /nfs/dbraw/zinc/20/35/78/389203578.db2.gz AQRWHNHSQSOAIT-MELADBBJSA-N 1 2 295.383 0.817 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@H]1CCOC1 ZINC000329809592 389203778 /nfs/dbraw/zinc/20/37/78/389203778.db2.gz QDSRYRAFNKNXNR-RVMXOQNASA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@H]1CCOC1 ZINC000329809592 389203780 /nfs/dbraw/zinc/20/37/80/389203780.db2.gz QDSRYRAFNKNXNR-RVMXOQNASA-N 1 2 283.372 0.340 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230012457 389157578 /nfs/dbraw/zinc/15/75/78/389157578.db2.gz ZCVSULGJEWWDHO-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230012457 389157580 /nfs/dbraw/zinc/15/75/80/389157580.db2.gz ZCVSULGJEWWDHO-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000329371652 389159907 /nfs/dbraw/zinc/15/99/07/389159907.db2.gz JBSAXDSJEHOITD-STQMWFEESA-N 1 2 285.388 0.637 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)NCC1CCSCC1 ZINC000329392184 389161379 /nfs/dbraw/zinc/16/13/79/389161379.db2.gz TXUNAPJVRBSQHE-UHFFFAOYSA-N 1 2 287.429 0.965 20 30 CCEDLO C=CCCOCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000124542828 389161806 /nfs/dbraw/zinc/16/18/06/389161806.db2.gz IXBXRIONTMIMGJ-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC(=O)NC1CC1 ZINC000329445704 389164073 /nfs/dbraw/zinc/16/40/73/389164073.db2.gz NUYRLTSNFFAVIH-NSHDSACASA-N 1 2 282.344 0.036 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC(=O)NC1CC1 ZINC000329445704 389164074 /nfs/dbraw/zinc/16/40/74/389164074.db2.gz NUYRLTSNFFAVIH-NSHDSACASA-N 1 2 282.344 0.036 20 30 CCEDLO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)[C@H]1CCOC1 ZINC000329519132 389168383 /nfs/dbraw/zinc/16/83/83/389168383.db2.gz NWRSNDPOQSJJTB-STQMWFEESA-N 1 2 297.399 0.780 20 30 CCEDLO [O-]C(=[NH+][C@H]1CC[C@H](O)CC1)N1CCn2c[nH+]cc2C1 ZINC000329615570 389177211 /nfs/dbraw/zinc/17/72/11/389177211.db2.gz PPDSBOPVMCFGEX-UMSPYCQHSA-N 1 2 264.329 0.916 20 30 CCEDLO O=C(N[C@H]1CC[C@H](O)CC1)N1CCn2c[nH+]cc2C1 ZINC000329615570 389177214 /nfs/dbraw/zinc/17/72/14/389177214.db2.gz PPDSBOPVMCFGEX-UMSPYCQHSA-N 1 2 264.329 0.916 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248125797 389243816 /nfs/dbraw/zinc/24/38/16/389243816.db2.gz NWPMYKLRWABRSQ-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248125797 389243821 /nfs/dbraw/zinc/24/38/21/389243821.db2.gz NWPMYKLRWABRSQ-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CCn1nc(C)c(NC(=O)N2CC[NH+](CCO)CC2)c1C ZINC000330661669 389250389 /nfs/dbraw/zinc/25/03/89/389250389.db2.gz ROPFZWYIGZCZNK-UHFFFAOYSA-N 1 2 295.387 0.675 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OCC)CC(C)C ZINC000343316959 389264115 /nfs/dbraw/zinc/26/41/15/389264115.db2.gz FGUCHXZUVYGEAY-UHFFFAOYSA-N 1 2 299.371 0.519 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OCC)CC(C)C ZINC000343316959 389264116 /nfs/dbraw/zinc/26/41/16/389264116.db2.gz FGUCHXZUVYGEAY-UHFFFAOYSA-N 1 2 299.371 0.519 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136211238 389264805 /nfs/dbraw/zinc/26/48/05/389264805.db2.gz BVUHBYODMJSXRY-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC000329863157 389206922 /nfs/dbraw/zinc/20/69/22/389206922.db2.gz RPYBAQATZZFYFQ-JTQLQIEISA-N 1 2 252.318 0.629 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC000329863157 389206925 /nfs/dbraw/zinc/20/69/25/389206925.db2.gz RPYBAQATZZFYFQ-JTQLQIEISA-N 1 2 252.318 0.629 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCOCC1)C(=O)OC ZINC000361107879 389208684 /nfs/dbraw/zinc/20/86/84/389208684.db2.gz IVNGAGQVWOMPCJ-NEPJUHHUSA-N 1 2 257.330 0.889 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1COCCO1 ZINC000329910355 389210398 /nfs/dbraw/zinc/21/03/98/389210398.db2.gz VUCTVIAXRHIDAQ-LLVKDONJSA-N 1 2 270.329 0.223 20 30 CCEDLO CC1(C)[C@H](O)C[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330266605 389219074 /nfs/dbraw/zinc/21/90/74/389219074.db2.gz HQLMPACGQICFIY-GARJFASQSA-N 1 2 278.356 0.861 20 30 CCEDLO CC1(C)[C@H](O)C[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330266605 389219079 /nfs/dbraw/zinc/21/90/79/389219079.db2.gz HQLMPACGQICFIY-GARJFASQSA-N 1 2 278.356 0.861 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCC#N ZINC000246114450 389224117 /nfs/dbraw/zinc/22/41/17/389224117.db2.gz MFJPRXLYZUXXAD-TUAOUCFPSA-N 1 2 279.340 0.432 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCC#N ZINC000246114450 389224118 /nfs/dbraw/zinc/22/41/18/389224118.db2.gz MFJPRXLYZUXXAD-TUAOUCFPSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000246192125 389225130 /nfs/dbraw/zinc/22/51/30/389225130.db2.gz NPEMSXBWXBLOMJ-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000246192125 389225133 /nfs/dbraw/zinc/22/51/33/389225133.db2.gz NPEMSXBWXBLOMJ-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cccnc1 ZINC000330445742 389230299 /nfs/dbraw/zinc/23/02/99/389230299.db2.gz HHSYAGFDRJGLKS-GFCCVEGCSA-N 1 2 265.313 0.079 20 30 CCEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1=CCCC1 ZINC000330483958 389234431 /nfs/dbraw/zinc/23/44/31/389234431.db2.gz WXBSHVXOXZQWBS-LBPRGKRZSA-N 1 2 254.330 0.746 20 30 CCEDLO CNC(=O)NCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330498266 389235202 /nfs/dbraw/zinc/23/52/02/389235202.db2.gz ABHSJWWOSLVVRP-VIFPVBQESA-N 1 2 265.317 0.249 20 30 CCEDLO CNC(=O)NCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330508312 389237246 /nfs/dbraw/zinc/23/72/46/389237246.db2.gz OASATFXIAXKABO-JTQLQIEISA-N 1 2 279.344 0.319 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330519687 389237949 /nfs/dbraw/zinc/23/79/49/389237949.db2.gz NMPHIFLXKRMXMY-CYBMUJFWSA-N 1 2 271.361 0.928 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330519687 389237951 /nfs/dbraw/zinc/23/79/51/389237951.db2.gz NMPHIFLXKRMXMY-CYBMUJFWSA-N 1 2 271.361 0.928 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330537082 389239363 /nfs/dbraw/zinc/23/93/63/389239363.db2.gz PXUMUFVEAYXBHE-LLVKDONJSA-N 1 2 299.371 0.328 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330537082 389239364 /nfs/dbraw/zinc/23/93/64/389239364.db2.gz PXUMUFVEAYXBHE-LLVKDONJSA-N 1 2 299.371 0.328 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCC)CC1 ZINC000264197616 389311659 /nfs/dbraw/zinc/31/16/59/389311659.db2.gz RZOCJTXIKFRLIK-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCC)CC1 ZINC000264197616 389311662 /nfs/dbraw/zinc/31/16/62/389311662.db2.gz RZOCJTXIKFRLIK-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345784882 389314575 /nfs/dbraw/zinc/31/45/75/389314575.db2.gz PJWKRQGNVZSNNW-UONOGXRCSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345784881 389315215 /nfs/dbraw/zinc/31/52/15/389315215.db2.gz PJWKRQGNVZSNNW-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156316797 389325174 /nfs/dbraw/zinc/32/51/74/389325174.db2.gz QUFYRFWDSTUOIL-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156316797 389325177 /nfs/dbraw/zinc/32/51/77/389325177.db2.gz QUFYRFWDSTUOIL-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#N)cc1 ZINC000264430348 389328132 /nfs/dbraw/zinc/32/81/32/389328132.db2.gz MAAJWHQTSVZCOW-ZDUSSCGKSA-N 1 2 286.379 0.924 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000346719002 389336604 /nfs/dbraw/zinc/33/66/04/389336604.db2.gz XKGFXTYVENCAGW-UHFFFAOYSA-N 1 2 291.355 0.249 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000331049586 389296985 /nfs/dbraw/zinc/29/69/85/389296985.db2.gz HSTLUNJBYABCTJ-NSHDSACASA-N 1 2 274.324 0.979 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000331049586 389296987 /nfs/dbraw/zinc/29/69/87/389296987.db2.gz HSTLUNJBYABCTJ-NSHDSACASA-N 1 2 274.324 0.979 20 30 CCEDLO C=C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331412606 389304979 /nfs/dbraw/zinc/30/49/79/389304979.db2.gz CQODRKBXKXMATF-NSHDSACASA-N 1 2 253.346 0.725 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000348474175 389378925 /nfs/dbraw/zinc/37/89/25/389378925.db2.gz OMPLNEQZGURVRU-SKDRFNHKSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000348474175 389378930 /nfs/dbraw/zinc/37/89/30/389378930.db2.gz OMPLNEQZGURVRU-SKDRFNHKSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421324232 389357100 /nfs/dbraw/zinc/35/71/00/389357100.db2.gz BPORHRQUJMLLPE-UHFFFAOYSA-N 1 2 256.737 0.774 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)NCC#CCO)cc2n1C ZINC000412324459 389477864 /nfs/dbraw/zinc/47/78/64/389477864.db2.gz NPZLHILODDXELC-UHFFFAOYSA-N 1 2 257.293 0.607 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)C1CC1 ZINC000274124733 389486919 /nfs/dbraw/zinc/48/69/19/389486919.db2.gz HJVIECDGTILJEW-UHFFFAOYSA-N 1 2 278.352 0.496 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)C1CC1 ZINC000274124733 389486922 /nfs/dbraw/zinc/48/69/22/389486922.db2.gz HJVIECDGTILJEW-UHFFFAOYSA-N 1 2 278.352 0.496 20 30 CCEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)OCC ZINC000372875301 389459139 /nfs/dbraw/zinc/45/91/39/389459139.db2.gz ALZWTESVWKDPOB-ZDUSSCGKSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)OCC ZINC000372875301 389459144 /nfs/dbraw/zinc/45/91/44/389459144.db2.gz ALZWTESVWKDPOB-ZDUSSCGKSA-N 1 2 297.399 0.377 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373793525 389515799 /nfs/dbraw/zinc/51/57/99/389515799.db2.gz UNRXKGFBEVQGAK-DYEKYZERSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373793525 389515801 /nfs/dbraw/zinc/51/58/01/389515801.db2.gz UNRXKGFBEVQGAK-DYEKYZERSA-N 1 2 266.341 0.004 20 30 CCEDLO N#Cc1cc(F)c(N2CCC[N@@H+](CC(N)=O)CC2)c(F)c1 ZINC000373797581 389516014 /nfs/dbraw/zinc/51/60/14/389516014.db2.gz ARQXLAYMWSHVJN-UHFFFAOYSA-N 1 2 294.305 0.834 20 30 CCEDLO N#Cc1cc(F)c(N2CCC[N@H+](CC(N)=O)CC2)c(F)c1 ZINC000373797581 389516017 /nfs/dbraw/zinc/51/60/17/389516017.db2.gz ARQXLAYMWSHVJN-UHFFFAOYSA-N 1 2 294.305 0.834 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(F)c1 ZINC000374042496 389539152 /nfs/dbraw/zinc/53/91/52/389539152.db2.gz WGRPDRKFQRNRRF-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(F)c1 ZINC000374042496 389539155 /nfs/dbraw/zinc/53/91/55/389539155.db2.gz WGRPDRKFQRNRRF-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374092502 389545016 /nfs/dbraw/zinc/54/50/16/389545016.db2.gz JNVWOEYBHALUPK-BETUJISGSA-N 1 2 276.340 0.506 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374092502 389545021 /nfs/dbraw/zinc/54/50/21/389545021.db2.gz JNVWOEYBHALUPK-BETUJISGSA-N 1 2 276.340 0.506 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(=O)c(OC)co2)CC1 ZINC000281465821 389617766 /nfs/dbraw/zinc/61/77/66/389617766.db2.gz DZLWAOWPZHJQDH-UHFFFAOYSA-N 1 2 290.319 0.430 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2nc[nH+]c(N)c2Cl)C1=O ZINC000281991240 389642577 /nfs/dbraw/zinc/64/25/77/389642577.db2.gz VQBUNGAGGASEKM-MRVPVSSYSA-N 1 2 281.747 0.935 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)CC)C1=O ZINC000282035376 389649223 /nfs/dbraw/zinc/64/92/23/389649223.db2.gz QKDPIGHDXCLZHO-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)CC)C1=O ZINC000282035376 389649225 /nfs/dbraw/zinc/64/92/25/389649225.db2.gz QKDPIGHDXCLZHO-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO CCC(=O)N1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000425523496 389651291 /nfs/dbraw/zinc/65/12/91/389651291.db2.gz YZIDLPUHVRNTHS-UHFFFAOYSA-N 1 2 266.345 0.260 20 30 CCEDLO CCC(=O)N1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000425523496 389651296 /nfs/dbraw/zinc/65/12/96/389651296.db2.gz YZIDLPUHVRNTHS-UHFFFAOYSA-N 1 2 266.345 0.260 20 30 CCEDLO N#CCN1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180009703 389665343 /nfs/dbraw/zinc/66/53/43/389665343.db2.gz WXMSKVMFLPIAGE-UHFFFAOYSA-N 1 2 255.325 0.975 20 30 CCEDLO N#CCN1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180009703 389665345 /nfs/dbraw/zinc/66/53/45/389665345.db2.gz WXMSKVMFLPIAGE-UHFFFAOYSA-N 1 2 255.325 0.975 20 30 CCEDLO CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000181649414 389690705 /nfs/dbraw/zinc/69/07/05/389690705.db2.gz ROGIQJOTBRXMIM-LLVKDONJSA-N 1 2 283.372 0.926 20 30 CCEDLO CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000181649414 389690708 /nfs/dbraw/zinc/69/07/08/389690708.db2.gz ROGIQJOTBRXMIM-LLVKDONJSA-N 1 2 283.372 0.926 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCC(=O)N(C)CC(=O)OC ZINC000428855836 389724027 /nfs/dbraw/zinc/72/40/27/389724027.db2.gz ILULHWDOCMKVDY-UHFFFAOYSA-N 1 2 267.329 0.410 20 30 CCEDLO C=CC[N@H+](CCC#N)CCC(=O)N(C)CC(=O)OC ZINC000428855836 389724030 /nfs/dbraw/zinc/72/40/30/389724030.db2.gz ILULHWDOCMKVDY-UHFFFAOYSA-N 1 2 267.329 0.410 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000375738028 389706345 /nfs/dbraw/zinc/70/63/45/389706345.db2.gz JBVNSHAUYSJLTP-LLVKDONJSA-N 1 2 294.273 0.716 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000375738028 389706350 /nfs/dbraw/zinc/70/63/50/389706350.db2.gz JBVNSHAUYSJLTP-LLVKDONJSA-N 1 2 294.273 0.716 20 30 CCEDLO N#CC1(CNC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000416403597 389739282 /nfs/dbraw/zinc/73/92/82/389739282.db2.gz ZYFNFURTKPCGDQ-UHFFFAOYSA-N 1 2 266.345 0.312 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000352439184 389810604 /nfs/dbraw/zinc/81/06/04/389810604.db2.gz OPWHVPUXSLQLQF-GDBMZVCRSA-N 1 2 297.443 0.967 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@@H]2CO)CCCCC1 ZINC000408183880 389832005 /nfs/dbraw/zinc/83/20/05/389832005.db2.gz ULKKVBKKFDPVOK-LBPRGKRZSA-N 1 2 297.424 0.739 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)CCCCC1 ZINC000408183880 389832009 /nfs/dbraw/zinc/83/20/09/389832009.db2.gz ULKKVBKKFDPVOK-LBPRGKRZSA-N 1 2 297.424 0.739 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352699660 389835545 /nfs/dbraw/zinc/83/55/45/389835545.db2.gz RWZGPALJZRQWPX-RISCZKNCSA-N 1 2 280.372 0.203 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352699660 389835548 /nfs/dbraw/zinc/83/55/48/389835548.db2.gz RWZGPALJZRQWPX-RISCZKNCSA-N 1 2 280.372 0.203 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)N(C)CCC#N ZINC000431589856 389862570 /nfs/dbraw/zinc/86/25/70/389862570.db2.gz MMPKKWIJKUWSJC-UHFFFAOYSA-N 1 2 284.341 0.270 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000433767095 389918602 /nfs/dbraw/zinc/91/86/02/389918602.db2.gz UAVROSNEUSTQBK-GFCCVEGCSA-N 1 2 278.356 0.910 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000433767095 389918604 /nfs/dbraw/zinc/91/86/04/389918604.db2.gz UAVROSNEUSTQBK-GFCCVEGCSA-N 1 2 278.356 0.910 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446068026 389930071 /nfs/dbraw/zinc/93/00/71/389930071.db2.gz BVDSPBDUVYRDAY-HBNTYKKESA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446068026 389930073 /nfs/dbraw/zinc/93/00/73/389930073.db2.gz BVDSPBDUVYRDAY-HBNTYKKESA-N 1 2 269.345 0.496 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000448948686 389992360 /nfs/dbraw/zinc/99/23/60/389992360.db2.gz FLDAFIKIZWYSJR-OCCSQVGLSA-N 1 2 265.357 0.717 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)C1COC1 ZINC000451287683 390001754 /nfs/dbraw/zinc/00/17/54/390001754.db2.gz RVRCLDWEDLCMCG-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)C1COC1 ZINC000451287683 390001757 /nfs/dbraw/zinc/00/17/57/390001757.db2.gz RVRCLDWEDLCMCG-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2cncc(C#N)n2)CCO1 ZINC000420607375 390016345 /nfs/dbraw/zinc/01/63/45/390016345.db2.gz BNHSABFVXLTZQL-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2cncc(C#N)n2)CCO1 ZINC000420607375 390016349 /nfs/dbraw/zinc/01/63/49/390016349.db2.gz BNHSABFVXLTZQL-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn(C)c3)CC2)c1C#N ZINC000471804123 390079583 /nfs/dbraw/zinc/07/95/83/390079583.db2.gz LMUVTFSSRQNICJ-UHFFFAOYSA-N 1 2 299.382 0.656 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000537121774 390174338 /nfs/dbraw/zinc/17/43/38/390174338.db2.gz MFJRWAFXLUBVMF-LLVKDONJSA-N 1 2 287.323 0.577 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494483645 390176182 /nfs/dbraw/zinc/17/61/82/390176182.db2.gz NYQWGMNBABXRKZ-LBPRGKRZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000537497341 390177593 /nfs/dbraw/zinc/17/75/93/390177593.db2.gz WCCZMYUKMOHMAX-UHFFFAOYSA-N 1 2 286.335 0.604 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000580273195 390233988 /nfs/dbraw/zinc/23/39/88/390233988.db2.gz CYLTVBLEYJQGSS-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000580273195 390233990 /nfs/dbraw/zinc/23/39/90/390233990.db2.gz CYLTVBLEYJQGSS-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CN(C)c1nc(N)nc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541025499 390234621 /nfs/dbraw/zinc/23/46/21/390234621.db2.gz ZCCRVXROPKVYTA-UHFFFAOYSA-N 1 2 275.360 0.476 20 30 CCEDLO C=CCn1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)nn1 ZINC000648372088 390363009 /nfs/dbraw/zinc/36/30/09/390363009.db2.gz RAPOAKAMDHWGPY-UHFFFAOYSA-N 1 2 291.355 0.059 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)[NH+]1CCN(C)CC1 ZINC000547824747 390402576 /nfs/dbraw/zinc/40/25/76/390402576.db2.gz BEGJAWQBXAQHQZ-GFCCVEGCSA-N 1 2 259.357 0.423 20 30 CCEDLO C[C@@H](Oc1cccnc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000562323193 390488597 /nfs/dbraw/zinc/48/85/97/390488597.db2.gz UXSQRIWYVXJEJT-RISCZKNCSA-N 1 2 276.340 0.809 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2nccnc2n1 ZINC000563891580 390494351 /nfs/dbraw/zinc/49/43/51/390494351.db2.gz ZIKMZAWYTLIBBH-CQSZACIVSA-N 1 2 284.323 0.598 20 30 CCEDLO CC(C)n1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000565050411 390499771 /nfs/dbraw/zinc/49/97/71/390499771.db2.gz BYIBWLVPQDIIOA-LBPRGKRZSA-N 1 2 264.333 0.433 20 30 CCEDLO COc1ccc(C#N)cc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565369988 390507916 /nfs/dbraw/zinc/50/79/16/390507916.db2.gz AZCMTQYFVAIIPL-AWEZNQCLSA-N 1 2 275.308 0.301 20 30 CCEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(N)=O ZINC000505487718 390463629 /nfs/dbraw/zinc/46/36/29/390463629.db2.gz PYSMLXCQTUGRKP-AVERBVTBSA-N 1 2 294.399 0.723 20 30 CCEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC000505487718 390463633 /nfs/dbraw/zinc/46/36/33/390463633.db2.gz PYSMLXCQTUGRKP-AVERBVTBSA-N 1 2 294.399 0.723 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncncc1C#N ZINC000516966693 390487101 /nfs/dbraw/zinc/48/71/01/390487101.db2.gz AGSCOYMGLIMTCR-AAEUAGOBSA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000522286883 390631922 /nfs/dbraw/zinc/63/19/22/390631922.db2.gz IZCLHIACTCIODS-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000522286883 390631924 /nfs/dbraw/zinc/63/19/24/390631924.db2.gz IZCLHIACTCIODS-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000567726953 390711148 /nfs/dbraw/zinc/71/11/48/390711148.db2.gz KYQCXTWAENEISQ-QWRGUYRKSA-N 1 2 264.329 0.810 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cn2ccsc2n1 ZINC000568399351 390714067 /nfs/dbraw/zinc/71/40/67/390714067.db2.gz KMMDHBFIBDKPQI-CYBMUJFWSA-N 1 2 291.380 0.898 20 30 CCEDLO COCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)co1 ZINC000570048335 390717207 /nfs/dbraw/zinc/71/72/07/390717207.db2.gz QVKFMYBMQSNFJV-GFCCVEGCSA-N 1 2 266.301 0.395 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000646818464 390724603 /nfs/dbraw/zinc/72/46/03/390724603.db2.gz TVGKDIQOAOQJGI-JSGCOSHPSA-N 1 2 275.352 0.834 20 30 CCEDLO Cc1cc(NCCNc2cc(C#N)cnn2)nc(C(C)C)[nH+]1 ZINC000528153617 390734272 /nfs/dbraw/zinc/73/42/72/390734272.db2.gz BUCZSISICMJVTJ-UHFFFAOYSA-N 1 2 297.366 0.938 20 30 CCEDLO N#Cc1cc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ncn1 ZINC000525893111 390669447 /nfs/dbraw/zinc/66/94/47/390669447.db2.gz ZPAJOLXQASUVBM-UHFFFAOYSA-N 1 2 295.306 0.423 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H](F)C1 ZINC000528548118 390756657 /nfs/dbraw/zinc/75/66/57/390756657.db2.gz ACUCMRWUJDMPSH-IHRRRGAJSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H](F)C1 ZINC000528548118 390756658 /nfs/dbraw/zinc/75/66/58/390756658.db2.gz ACUCMRWUJDMPSH-IHRRRGAJSA-N 1 2 294.326 0.703 20 30 CCEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCNC1=O ZINC000572842754 390806525 /nfs/dbraw/zinc/80/65/25/390806525.db2.gz XMNVRXUKLMMNMW-GFCCVEGCSA-N 1 2 284.323 0.311 20 30 CCEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCNC1=O ZINC000572842754 390806529 /nfs/dbraw/zinc/80/65/29/390806529.db2.gz XMNVRXUKLMMNMW-GFCCVEGCSA-N 1 2 284.323 0.311 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268408537 132004486 /nfs/dbraw/zinc/00/44/86/132004486.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268408537 132004487 /nfs/dbraw/zinc/00/44/87/132004487.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268408537 132004489 /nfs/dbraw/zinc/00/44/89/132004489.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268408537 132004490 /nfs/dbraw/zinc/00/44/90/132004490.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268408537 132004492 /nfs/dbraw/zinc/00/44/92/132004492.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268408537 132004494 /nfs/dbraw/zinc/00/44/94/132004494.db2.gz ACLQYBXWBDDAMI-PWSUYJOCSA-N 1 2 277.372 0.983 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268446998 132010915 /nfs/dbraw/zinc/01/09/15/132010915.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268446998 132010916 /nfs/dbraw/zinc/01/09/16/132010916.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268446998 132010917 /nfs/dbraw/zinc/01/09/17/132010917.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268446998 132010918 /nfs/dbraw/zinc/01/09/18/132010918.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268446998 132010919 /nfs/dbraw/zinc/01/09/19/132010919.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268446998 132010920 /nfs/dbraw/zinc/01/09/20/132010920.db2.gz ICKXYLPQRYOWPM-ZYHUDNBSSA-N 1 2 275.356 0.430 20 30 CCEDLO Cn1ncc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1C#N ZINC000356647037 144022463 /nfs/dbraw/zinc/02/24/63/144022463.db2.gz FJGOQBZAHYHHQZ-SNVBAGLBSA-N 1 2 270.296 0.992 20 30 CCEDLO Cc1[nH]nc(NC(=O)c2cc(C[NH+](C)C)on2)c1C#N ZINC000357240966 144072405 /nfs/dbraw/zinc/07/24/05/144072405.db2.gz JEUVDNSKPPTAPE-UHFFFAOYSA-N 1 2 274.284 0.892 20 30 CCEDLO C=CCN(C(=O)C(=O)Nc1ccc(N)[nH+]c1)[C@@H](C)COC ZINC000659094808 413280050 /nfs/dbraw/zinc/28/00/50/413280050.db2.gz QHYDOKJIIQDHSG-JTQLQIEISA-N 1 2 292.339 0.652 20 30 CCEDLO Cn1cnnc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000653823297 412353206 /nfs/dbraw/zinc/35/32/06/412353206.db2.gz AVLOAGLAEKYLEW-UHFFFAOYSA-N 1 2 281.363 0.989 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662635950 414735774 /nfs/dbraw/zinc/73/57/74/414735774.db2.gz POLVGYXKBTYRQE-GFCCVEGCSA-N 1 2 265.357 0.233 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000071848326 176275849 /nfs/dbraw/zinc/27/58/49/176275849.db2.gz BQISRYUBONZETO-UHFFFAOYSA-N 1 2 272.304 0.806 20 30 CCEDLO CCS(=O)(=O)N1CC[N@H+](CCCC#N)[C@@H](C)C1 ZINC000347318791 226130614 /nfs/dbraw/zinc/13/06/14/226130614.db2.gz QRGBRPKLMVQWHQ-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO CCS(=O)(=O)N1CC[N@@H+](CCCC#N)[C@@H](C)C1 ZINC000347318791 226130617 /nfs/dbraw/zinc/13/06/17/226130617.db2.gz QRGBRPKLMVQWHQ-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCCOC1 ZINC000329542335 227588891 /nfs/dbraw/zinc/58/88/91/227588891.db2.gz DVSURJJTECCNJF-UWVGGRQHSA-N 1 2 264.329 0.950 20 30 CCEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329972211 228002976 /nfs/dbraw/zinc/00/29/76/228002976.db2.gz WAQYBQUWZLGDBY-WYUUTHIRSA-N 1 2 276.340 0.909 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331429504 228099908 /nfs/dbraw/zinc/09/99/08/228099908.db2.gz GGMQQLQUDURTKP-YPMHNXCESA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331429504 228099910 /nfs/dbraw/zinc/09/99/10/228099910.db2.gz GGMQQLQUDURTKP-YPMHNXCESA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330336089 228155178 /nfs/dbraw/zinc/15/51/78/228155178.db2.gz SCCDXRWNRIWTQH-UTUOFQBUSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330336089 228155179 /nfs/dbraw/zinc/15/51/79/228155179.db2.gz SCCDXRWNRIWTQH-UTUOFQBUSA-N 1 2 271.361 0.246 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC12CCCC2 ZINC000333182835 228192189 /nfs/dbraw/zinc/19/21/89/228192189.db2.gz NDCZYDQLSPBGEG-OAHLLOKOSA-N 1 2 277.368 0.597 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC000281695719 544961520 /nfs/dbraw/zinc/96/15/20/544961520.db2.gz LRFVTFPSPHXSMC-LBPRGKRZSA-N 1 2 276.340 0.588 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC000281695719 544961524 /nfs/dbraw/zinc/96/15/24/544961524.db2.gz LRFVTFPSPHXSMC-LBPRGKRZSA-N 1 2 276.340 0.588 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328856952 545019471 /nfs/dbraw/zinc/01/94/71/545019471.db2.gz DCFAZMVGEYKYQF-NWDGAFQWSA-N 1 2 294.355 0.919 20 30 CCEDLO C[C@H](CNC(=O)[C@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000328948903 545020423 /nfs/dbraw/zinc/02/04/23/545020423.db2.gz HCUFDMUNNCMPEM-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CN2CCCCCC2=O)C1 ZINC000329397752 545022262 /nfs/dbraw/zinc/02/22/62/545022262.db2.gz XYJISXVFRQKHJL-ZDUSSCGKSA-N 1 2 296.415 0.591 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CN2CCCCCC2=O)C1 ZINC000329397752 545022263 /nfs/dbraw/zinc/02/22/63/545022263.db2.gz XYJISXVFRQKHJL-ZDUSSCGKSA-N 1 2 296.415 0.591 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000407977473 260139886 /nfs/dbraw/zinc/13/98/86/260139886.db2.gz XRMROASMZLGZRF-GFCCVEGCSA-N 1 2 288.417 0.491 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080507 260218747 /nfs/dbraw/zinc/21/87/47/260218747.db2.gz CBYQAYZSBNNREQ-GHMZBOCLSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080507 260218748 /nfs/dbraw/zinc/21/87/48/260218748.db2.gz CBYQAYZSBNNREQ-GHMZBOCLSA-N 1 2 274.390 0.101 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000518050670 260339780 /nfs/dbraw/zinc/33/97/80/260339780.db2.gz AAKXVOOPKKMVAD-ZDUSSCGKSA-N 1 2 299.378 0.766 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC2CC2)cc1 ZINC000154243368 261089871 /nfs/dbraw/zinc/08/98/71/261089871.db2.gz XZDZVXYBQAEYIW-UHFFFAOYSA-N 1 2 277.324 0.858 20 30 CCEDLO CCn1cc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000154783735 261094701 /nfs/dbraw/zinc/09/47/01/261094701.db2.gz HJJVYEXYRNIQFM-UHFFFAOYSA-N 1 2 291.399 0.951 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](CCO)Cc1cccnc1 ZINC000156779081 261132427 /nfs/dbraw/zinc/13/24/27/261132427.db2.gz TYRFNRZYXJHDIK-ZDUSSCGKSA-N 1 2 290.367 0.636 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](CCO)Cc1cccnc1 ZINC000156779081 261132428 /nfs/dbraw/zinc/13/24/28/261132428.db2.gz TYRFNRZYXJHDIK-ZDUSSCGKSA-N 1 2 290.367 0.636 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC2OCCO2)cc1 ZINC000191991254 262197548 /nfs/dbraw/zinc/19/75/48/262197548.db2.gz RWHDRPNPDXHUHX-UHFFFAOYSA-N 1 2 252.270 0.705 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)nc2)C1=O ZINC000337209789 262439177 /nfs/dbraw/zinc/43/91/77/262439177.db2.gz SPJARKLVSOPGST-CYBMUJFWSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(N(C)C)nc2)C1=O ZINC000337209789 262439179 /nfs/dbraw/zinc/43/91/79/262439179.db2.gz SPJARKLVSOPGST-CYBMUJFWSA-N 1 2 289.383 0.761 20 30 CCEDLO CCS(=O)(=O)N1CC[N@H+](CCOCCC#N)[C@@H](C)C1 ZINC000339197067 262616470 /nfs/dbraw/zinc/61/64/70/262616470.db2.gz FKMFOTSPKPHGKD-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO CCS(=O)(=O)N1CC[N@@H+](CCOCCC#N)[C@@H](C)C1 ZINC000339197067 262616471 /nfs/dbraw/zinc/61/64/71/262616471.db2.gz FKMFOTSPKPHGKD-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO Cc1nnc(CO[NH+]=C(N)[C@H](C)OCC(C)C)n1C ZINC000273407654 263016479 /nfs/dbraw/zinc/01/64/79/263016479.db2.gz BQCGWLXOWPLDEC-VIFPVBQESA-N 1 2 269.349 0.973 20 30 CCEDLO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000274343374 263023440 /nfs/dbraw/zinc/02/34/40/263023440.db2.gz ITYJMESRKMJKFW-SNVBAGLBSA-N 1 2 295.339 0.544 20 30 CCEDLO CC(=O)c1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1 ZINC000274360276 263023666 /nfs/dbraw/zinc/02/36/66/263023666.db2.gz NEJOQJGELYLPHJ-JTQLQIEISA-N 1 2 293.323 0.887 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643243 263037589 /nfs/dbraw/zinc/03/75/89/263037589.db2.gz RAQWWMHDGNUKPS-GXTWGEPZSA-N 1 2 290.319 0.697 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643243 263037590 /nfs/dbraw/zinc/03/75/90/263037590.db2.gz RAQWWMHDGNUKPS-GXTWGEPZSA-N 1 2 290.319 0.697 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000281936287 263073147 /nfs/dbraw/zinc/07/31/47/263073147.db2.gz IMCZKUZWTJPJKQ-AWEZNQCLSA-N 1 2 275.352 0.615 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000281936287 263073148 /nfs/dbraw/zinc/07/31/48/263073148.db2.gz IMCZKUZWTJPJKQ-AWEZNQCLSA-N 1 2 275.352 0.615 20 30 CCEDLO C=CCn1c(C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283607460 263083462 /nfs/dbraw/zinc/08/34/62/263083462.db2.gz VBBSIMKCWIHUCD-UHFFFAOYSA-N 1 2 265.361 0.541 20 30 CCEDLO COc1cc[nH+]cc1CN(CC#N)S(=O)(=O)N(C)C ZINC000289343324 263109217 /nfs/dbraw/zinc/10/92/17/263109217.db2.gz GHKGLBBDZJWCKT-UHFFFAOYSA-N 1 2 284.341 0.222 20 30 CCEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nc(N(C)C)no1 ZINC000289355937 263109502 /nfs/dbraw/zinc/10/95/02/263109502.db2.gz HXGJNTGTPRRKLI-SECBINFHSA-N 1 2 285.348 0.986 20 30 CCEDLO NC(CCO)=[NH+]OCc1cc(Br)no1 ZINC000292069330 263127920 /nfs/dbraw/zinc/12/79/20/263127920.db2.gz KXPIWDZRGSONGT-UHFFFAOYSA-N 1 2 264.079 0.608 20 30 CCEDLO C=CC[N@H+](CCOCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000292927117 263136578 /nfs/dbraw/zinc/13/65/78/263136578.db2.gz YPMHWJWOSXALOB-GFCCVEGCSA-N 1 2 272.370 0.592 20 30 CCEDLO C=CC[N@@H+](CCOCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000292927117 263136579 /nfs/dbraw/zinc/13/65/79/263136579.db2.gz YPMHWJWOSXALOB-GFCCVEGCSA-N 1 2 272.370 0.592 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000120848146 263286680 /nfs/dbraw/zinc/28/66/80/263286680.db2.gz LUHIBGXKUDVHQZ-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425294536 263302381 /nfs/dbraw/zinc/30/23/81/263302381.db2.gz NLEQNRVKXHMPAL-QWHCGFSZSA-N 1 2 270.373 0.398 20 30 CCEDLO CC#CCN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000341018126 263317396 /nfs/dbraw/zinc/31/73/96/263317396.db2.gz ALNGQSMIUQTJSC-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341705956 263347340 /nfs/dbraw/zinc/34/73/40/263347340.db2.gz LEKGMEPDFMSRKI-XQLPTFJDSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341705956 263347341 /nfs/dbraw/zinc/34/73/41/263347341.db2.gz LEKGMEPDFMSRKI-XQLPTFJDSA-N 1 2 294.395 0.899 20 30 CCEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672170 263747474 /nfs/dbraw/zinc/74/74/74/263747474.db2.gz YCVXYTKTFAUJJU-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672170 263747477 /nfs/dbraw/zinc/74/74/77/263747477.db2.gz YCVXYTKTFAUJJU-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000330722251 264024622 /nfs/dbraw/zinc/02/46/22/264024622.db2.gz YDFURTQSTUITDZ-SNVBAGLBSA-N 1 2 262.313 0.912 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000330722251 264024624 /nfs/dbraw/zinc/02/46/24/264024624.db2.gz YDFURTQSTUITDZ-SNVBAGLBSA-N 1 2 262.313 0.912 20 30 CCEDLO CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000330762334 264031950 /nfs/dbraw/zinc/03/19/50/264031950.db2.gz HROXWXQXYNDMMO-NSHDSACASA-N 1 2 266.345 0.928 20 30 CCEDLO CCn1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000330762334 264031952 /nfs/dbraw/zinc/03/19/52/264031952.db2.gz HROXWXQXYNDMMO-NSHDSACASA-N 1 2 266.345 0.928 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330816548 264046322 /nfs/dbraw/zinc/04/63/22/264046322.db2.gz DKHOJLADLFLXQB-JTQLQIEISA-N 1 2 289.401 0.082 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330816548 264046323 /nfs/dbraw/zinc/04/63/23/264046323.db2.gz DKHOJLADLFLXQB-JTQLQIEISA-N 1 2 289.401 0.082 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330833173 264050625 /nfs/dbraw/zinc/05/06/25/264050625.db2.gz JVJRPNZKWLBMMS-LLVKDONJSA-N 1 2 271.386 0.158 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330833173 264050626 /nfs/dbraw/zinc/05/06/26/264050626.db2.gz JVJRPNZKWLBMMS-LLVKDONJSA-N 1 2 271.386 0.158 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330857886 264054620 /nfs/dbraw/zinc/05/46/20/264054620.db2.gz UNKSLWHQMUCDDC-NEPJUHHUSA-N 1 2 285.413 0.404 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330857886 264054622 /nfs/dbraw/zinc/05/46/22/264054622.db2.gz UNKSLWHQMUCDDC-NEPJUHHUSA-N 1 2 285.413 0.404 20 30 CCEDLO C=CC[N@@H+](CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000330896924 264078384 /nfs/dbraw/zinc/07/83/84/264078384.db2.gz NYAWQUZRQFZZKS-LLVKDONJSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000330896924 264078386 /nfs/dbraw/zinc/07/83/86/264078386.db2.gz NYAWQUZRQFZZKS-LLVKDONJSA-N 1 2 261.387 0.823 20 30 CCEDLO CO[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000330945912 264084613 /nfs/dbraw/zinc/08/46/13/264084613.db2.gz KHHIENBBBYUNPY-ZIAGYGMSSA-N 1 2 299.415 0.978 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000330964423 264089978 /nfs/dbraw/zinc/08/99/78/264089978.db2.gz ZOJYCAOTDHRSKI-DTWKUNHWSA-N 1 2 297.384 0.678 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000330964423 264089979 /nfs/dbraw/zinc/08/99/79/264089979.db2.gz ZOJYCAOTDHRSKI-DTWKUNHWSA-N 1 2 297.384 0.678 20 30 CCEDLO CNC(=O)NCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000330996176 264105156 /nfs/dbraw/zinc/10/51/56/264105156.db2.gz OMKSIZGCUQOLGC-UHFFFAOYSA-N 1 2 291.355 0.172 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331007264 264106714 /nfs/dbraw/zinc/10/67/14/264106714.db2.gz TVWPPHMVKLILLR-LLVKDONJSA-N 1 2 282.388 0.609 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000331007264 264106716 /nfs/dbraw/zinc/10/67/16/264106716.db2.gz TVWPPHMVKLILLR-LLVKDONJSA-N 1 2 282.388 0.609 20 30 CCEDLO N#CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000331076158 264115179 /nfs/dbraw/zinc/11/51/79/264115179.db2.gz VNXZTDKMRMZAFK-UHFFFAOYSA-N 1 2 263.301 0.067 20 30 CCEDLO O=C(NCCF)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000331221533 264166674 /nfs/dbraw/zinc/16/66/74/264166674.db2.gz AXSZTLWGVRTNNF-UHFFFAOYSA-N 1 2 296.350 0.072 20 30 CCEDLO CCc1ccnc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000331222513 264166791 /nfs/dbraw/zinc/16/67/91/264166791.db2.gz BRAUCCYNCZLKNG-AWEZNQCLSA-N 1 2 292.383 0.978 20 30 CCEDLO CCc1ccnc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000331222513 264166793 /nfs/dbraw/zinc/16/67/93/264166793.db2.gz BRAUCCYNCZLKNG-AWEZNQCLSA-N 1 2 292.383 0.978 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](CCC)C1 ZINC000132453104 264389999 /nfs/dbraw/zinc/38/99/99/264389999.db2.gz IJJMVEVONKVHDH-LLVKDONJSA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](CCC)C1 ZINC000132453104 264390000 /nfs/dbraw/zinc/39/00/00/264390000.db2.gz IJJMVEVONKVHDH-LLVKDONJSA-N 1 2 269.345 0.499 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccccc1 ZINC000080552151 264397602 /nfs/dbraw/zinc/39/76/02/264397602.db2.gz CNPMBFGKTKRPSY-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(F)(C#N)CC1 ZINC000355989709 266052739 /nfs/dbraw/zinc/05/27/39/266052739.db2.gz GYCGXPXXGSDLFK-UHFFFAOYSA-N 1 2 298.362 0.297 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(F)(C#N)CC1 ZINC000355989709 266052740 /nfs/dbraw/zinc/05/27/40/266052740.db2.gz GYCGXPXXGSDLFK-UHFFFAOYSA-N 1 2 298.362 0.297 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000363029507 267074151 /nfs/dbraw/zinc/07/41/51/267074151.db2.gz LVTNOECEQXVOQR-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000363029507 267074154 /nfs/dbraw/zinc/07/41/54/267074154.db2.gz LVTNOECEQXVOQR-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000368409211 267170333 /nfs/dbraw/zinc/17/03/33/267170333.db2.gz CJSIAJWKYCUPJW-GFCCVEGCSA-N 1 2 273.340 0.113 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CCN1C1CC1 ZINC000369220927 267227380 /nfs/dbraw/zinc/22/73/80/267227380.db2.gz VCSZGBUVWPBIDU-ZDUSSCGKSA-N 1 2 288.355 0.265 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2scnc2C)CC1 ZINC000122248166 267824673 /nfs/dbraw/zinc/82/46/73/267824673.db2.gz IJGQHBWJWZNXDS-UHFFFAOYSA-N 1 2 294.424 0.871 20 30 CCEDLO Cn1ncc(C(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000530284017 268132799 /nfs/dbraw/zinc/13/27/99/268132799.db2.gz LQKJIXZZTNEAIY-UHFFFAOYSA-N 1 2 272.312 0.698 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000346337057 276871945 /nfs/dbraw/zinc/87/19/45/276871945.db2.gz MSBCMSPQAWQAPY-MCIONIFRSA-N 1 2 279.384 0.084 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000277661157 277670148 /nfs/dbraw/zinc/67/01/48/277670148.db2.gz LRJMJSQDIQHOQU-INIZCTEOSA-N 1 2 288.391 0.972 20 30 CCEDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345893501 278003847 /nfs/dbraw/zinc/00/38/47/278003847.db2.gz TYGURUISKYIGCN-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345893501 278003851 /nfs/dbraw/zinc/00/38/51/278003851.db2.gz TYGURUISKYIGCN-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1nc(CCOC)no1 ZINC000761107318 581888337 /nfs/dbraw/zinc/88/83/37/581888337.db2.gz DCPZIGOZDUDQIO-UHFFFAOYSA-N 1 2 253.302 0.340 20 30 CCEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCn2ccnc2C1 ZINC000330241450 295387935 /nfs/dbraw/zinc/38/79/35/295387935.db2.gz BTKJSDUVUXYSEI-NSHDSACASA-N 1 2 286.339 0.824 20 30 CCEDLO Cn1ncc2c1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2 ZINC000570805989 327620512 /nfs/dbraw/zinc/62/05/12/327620512.db2.gz UOCGALONFCATRU-IAQYHMDHSA-N 1 2 289.383 0.485 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000574968666 327673570 /nfs/dbraw/zinc/67/35/70/327673570.db2.gz KQODIRDQXCFAPM-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000336923658 327948172 /nfs/dbraw/zinc/94/81/72/327948172.db2.gz SSFLZYFDSOIEIG-NWDGAFQWSA-N 1 2 299.400 0.588 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000541016243 328040147 /nfs/dbraw/zinc/04/01/47/328040147.db2.gz JZKMFYLJHFEVGH-GFCCVEGCSA-N 1 2 290.371 0.407 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000534309129 328044952 /nfs/dbraw/zinc/04/49/52/328044952.db2.gz KZMHEVAGOITUOI-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000534309129 328044954 /nfs/dbraw/zinc/04/49/54/328044954.db2.gz KZMHEVAGOITUOI-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC000563469819 328068995 /nfs/dbraw/zinc/06/89/95/328068995.db2.gz QJOWWNLCSQZEEK-RYUDHWBXSA-N 1 2 289.339 0.805 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000563612180 328076750 /nfs/dbraw/zinc/07/67/50/328076750.db2.gz LEKGMEPDFMSRKI-KBUPBQIOSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000563612180 328076751 /nfs/dbraw/zinc/07/67/51/328076751.db2.gz LEKGMEPDFMSRKI-KBUPBQIOSA-N 1 2 294.395 0.899 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000412436359 328110188 /nfs/dbraw/zinc/11/01/88/328110188.db2.gz OKEGBDKFZCIMIA-UHFFFAOYSA-N 1 2 295.383 0.486 20 30 CCEDLO CCn1cc[nH+]c1CN1CCN(C(=O)CC#N)CC1 ZINC000572812610 328122834 /nfs/dbraw/zinc/12/28/34/328122834.db2.gz UUKLADXEPATYDC-UHFFFAOYSA-N 1 2 261.329 0.461 20 30 CCEDLO COC(=O)c1ccc(CO[NH+]=C(N)CN2CCOCC2)o1 ZINC000264684838 328161396 /nfs/dbraw/zinc/16/13/96/328161396.db2.gz FBKZXVPWDHQRSW-UHFFFAOYSA-N 1 2 297.311 0.187 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331239266 328478924 /nfs/dbraw/zinc/47/89/24/328478924.db2.gz JSUAJLQQBSRUSC-LLVKDONJSA-N 1 2 256.346 0.008 20 30 CCEDLO C#CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000077668417 328490721 /nfs/dbraw/zinc/49/07/21/328490721.db2.gz LAZDGVFYVVHTNC-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000345853995 328568333 /nfs/dbraw/zinc/56/83/33/328568333.db2.gz JNKVBJZFJJUUQE-UHFFFAOYSA-N 1 2 292.358 0.641 20 30 CCEDLO COCCNS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000569214661 327047251 /nfs/dbraw/zinc/04/72/51/327047251.db2.gz XKNXSAOOGBWCCF-UHFFFAOYSA-N 1 2 297.380 0.615 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NCC1(C#N)CC1)[NH+]1CCOCC1 ZINC000559320753 327158745 /nfs/dbraw/zinc/15/87/45/327158745.db2.gz XRIOPAXUHKFTQD-NWDGAFQWSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)[NH+]1CCN(C)CC1 ZINC000584288515 327219863 /nfs/dbraw/zinc/21/98/63/327219863.db2.gz ROXKDSSIOCLILW-NSHDSACASA-N 1 2 260.345 0.396 20 30 CCEDLO N#Cc1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000111182312 327277598 /nfs/dbraw/zinc/27/75/98/327277598.db2.gz OKETWJVSQSVDQN-UHFFFAOYSA-N 1 2 274.324 0.679 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000566425870 327359088 /nfs/dbraw/zinc/35/90/88/327359088.db2.gz HTDZJCKFDHHFBG-AWEZNQCLSA-N 1 2 278.356 0.103 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000566425870 327359090 /nfs/dbraw/zinc/35/90/90/327359090.db2.gz HTDZJCKFDHHFBG-AWEZNQCLSA-N 1 2 278.356 0.103 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)nc1 ZINC000579240742 327359942 /nfs/dbraw/zinc/35/99/42/327359942.db2.gz AFJIFCRXHLIEMV-LBPRGKRZSA-N 1 2 260.297 0.029 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)nc1 ZINC000579240742 327359943 /nfs/dbraw/zinc/35/99/43/327359943.db2.gz AFJIFCRXHLIEMV-LBPRGKRZSA-N 1 2 260.297 0.029 20 30 CCEDLO N#CCNC(=O)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000358316924 328881793 /nfs/dbraw/zinc/88/17/93/328881793.db2.gz SVMCVGIBRLZZIR-JTQLQIEISA-N 1 2 290.327 0.286 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000183543057 329248253 /nfs/dbraw/zinc/24/82/53/329248253.db2.gz LFIODDGQBLMBQJ-AVGNSLFASA-N 1 2 285.388 0.332 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188784267 329372220 /nfs/dbraw/zinc/37/22/20/329372220.db2.gz IDLOLQLMYGOLFN-CMPLNLGQSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188784267 329372221 /nfs/dbraw/zinc/37/22/21/329372221.db2.gz IDLOLQLMYGOLFN-CMPLNLGQSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188784247 329372321 /nfs/dbraw/zinc/37/23/21/329372321.db2.gz IDLOLQLMYGOLFN-PWSUYJOCSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188784247 329372322 /nfs/dbraw/zinc/37/23/22/329372322.db2.gz IDLOLQLMYGOLFN-PWSUYJOCSA-N 1 2 251.330 0.658 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000189595878 329383851 /nfs/dbraw/zinc/38/38/51/329383851.db2.gz OKEVWEDGKSNQCS-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(C#N)c1 ZINC000583755926 329474098 /nfs/dbraw/zinc/47/40/98/329474098.db2.gz JBBUVGKGGNMGNF-ZDUSSCGKSA-N 1 2 257.297 0.527 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000571687008 329898365 /nfs/dbraw/zinc/89/83/65/329898365.db2.gz BXJWDOYLYKLDTE-ZDUSSCGKSA-N 1 2 278.360 0.607 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)COCc2ccccc2F)C1 ZINC000429669664 330050414 /nfs/dbraw/zinc/05/04/14/330050414.db2.gz GZBWUEWBCVNAIC-ZDUSSCGKSA-N 1 2 294.326 0.664 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514752 330212601 /nfs/dbraw/zinc/21/26/01/330212601.db2.gz QPZYBRXBYYRETM-UHFFFAOYSA-N 1 2 267.329 0.291 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514752 330212603 /nfs/dbraw/zinc/21/26/03/330212603.db2.gz QPZYBRXBYYRETM-UHFFFAOYSA-N 1 2 267.329 0.291 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501379 330318206 /nfs/dbraw/zinc/31/82/06/330318206.db2.gz FQDSKSKPLFEDJW-QWRGUYRKSA-N 1 2 291.355 0.744 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501379 330318207 /nfs/dbraw/zinc/31/82/07/330318207.db2.gz FQDSKSKPLFEDJW-QWRGUYRKSA-N 1 2 291.355 0.744 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424459968 330352270 /nfs/dbraw/zinc/35/22/70/330352270.db2.gz ALIRCWXIAIBZDC-DTWKUNHWSA-N 1 2 263.288 0.077 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451381431 331026493 /nfs/dbraw/zinc/02/64/93/331026493.db2.gz UBJWZWPLNJVRGL-NSHDSACASA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451381431 331026494 /nfs/dbraw/zinc/02/64/94/331026494.db2.gz UBJWZWPLNJVRGL-NSHDSACASA-N 1 2 276.340 0.914 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C#N)C[C@@H]1C ZINC000451490185 331031345 /nfs/dbraw/zinc/03/13/45/331031345.db2.gz DCUUNOVDDVTSGT-OUCADQQQSA-N 1 2 265.357 0.715 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000451695669 331039414 /nfs/dbraw/zinc/03/94/14/331039414.db2.gz QSZWLEUVEQQMBS-TUVASFSCSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000451850259 331044754 /nfs/dbraw/zinc/04/47/54/331044754.db2.gz WXVWZFCPZQRROZ-TUVASFSCSA-N 1 2 294.395 0.899 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458272160 331246901 /nfs/dbraw/zinc/24/69/01/331246901.db2.gz GOSYGGVOFGVVDS-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458272160 331246902 /nfs/dbraw/zinc/24/69/02/331246902.db2.gz GOSYGGVOFGVVDS-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000458308932 331248089 /nfs/dbraw/zinc/24/80/89/331248089.db2.gz SGRNUPYYACVEHA-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000458308932 331248090 /nfs/dbraw/zinc/24/80/90/331248090.db2.gz SGRNUPYYACVEHA-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489030281 332038343 /nfs/dbraw/zinc/03/83/43/332038343.db2.gz XEPHBBPLKJOOFX-LLVKDONJSA-N 1 2 292.314 0.704 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489030281 332038344 /nfs/dbraw/zinc/03/83/44/332038344.db2.gz XEPHBBPLKJOOFX-LLVKDONJSA-N 1 2 292.314 0.704 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000489656992 332063429 /nfs/dbraw/zinc/06/34/29/332063429.db2.gz PHWKJTYIUJQBDN-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000489656992 332063430 /nfs/dbraw/zinc/06/34/30/332063430.db2.gz PHWKJTYIUJQBDN-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C#N)CC1 ZINC000490438847 332089614 /nfs/dbraw/zinc/08/96/14/332089614.db2.gz ABWLVRDHJPSYIX-UHFFFAOYSA-N 1 2 288.307 0.791 20 30 CCEDLO C#CCN(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000490618315 332096107 /nfs/dbraw/zinc/09/61/07/332096107.db2.gz VVHHOCNWNQWJEY-CHWSQXEVSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NCC(C)C ZINC000490679325 332103056 /nfs/dbraw/zinc/10/30/56/332103056.db2.gz RTULROQBHCRHGL-UHFFFAOYSA-N 1 2 263.341 0.427 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NCC(C)C ZINC000490679325 332103057 /nfs/dbraw/zinc/10/30/57/332103057.db2.gz RTULROQBHCRHGL-UHFFFAOYSA-N 1 2 263.341 0.427 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490713577 332107471 /nfs/dbraw/zinc/10/74/71/332107471.db2.gz KWRVDEPECWVQAQ-UWVGGRQHSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490713577 332107472 /nfs/dbraw/zinc/10/74/72/332107472.db2.gz KWRVDEPECWVQAQ-UWVGGRQHSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cn2)CC1 ZINC000491279333 332180368 /nfs/dbraw/zinc/18/03/68/332180368.db2.gz YDXUFYZFXIMVKB-UHFFFAOYSA-N 1 2 290.342 0.088 20 30 CCEDLO C#C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000491485595 332220562 /nfs/dbraw/zinc/22/05/62/332220562.db2.gz PNAVKYRRRSEVJH-LLVKDONJSA-N 1 2 271.313 0.183 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c[nH]2)n1 ZINC000491622480 332247118 /nfs/dbraw/zinc/24/71/18/332247118.db2.gz DRXYHTWXOHYBDB-UHFFFAOYSA-N 1 2 273.340 0.888 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH]c[nH+]2)n1 ZINC000491622480 332247120 /nfs/dbraw/zinc/24/71/20/332247120.db2.gz DRXYHTWXOHYBDB-UHFFFAOYSA-N 1 2 273.340 0.888 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491640407 332260352 /nfs/dbraw/zinc/26/03/52/332260352.db2.gz OLCSGZQJNVKJAZ-WDEREUQCSA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491640407 332260354 /nfs/dbraw/zinc/26/03/54/332260354.db2.gz OLCSGZQJNVKJAZ-WDEREUQCSA-N 1 2 274.324 0.311 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000491665182 332274000 /nfs/dbraw/zinc/27/40/00/332274000.db2.gz UHQWSUZUWKKCBU-GXTWGEPZSA-N 1 2 296.367 0.074 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000491706441 332299362 /nfs/dbraw/zinc/29/93/62/332299362.db2.gz MXLXBOJNUDZHLY-UHFFFAOYSA-N 1 2 280.759 0.955 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000491712335 332303604 /nfs/dbraw/zinc/30/36/04/332303604.db2.gz ZICLEZZYVXHXMM-GFCCVEGCSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000491712335 332303605 /nfs/dbraw/zinc/30/36/05/332303605.db2.gz ZICLEZZYVXHXMM-GFCCVEGCSA-N 1 2 250.342 0.927 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000494564406 332478096 /nfs/dbraw/zinc/47/80/96/332478096.db2.gz LBAXHHPLDKPMFD-GFCCVEGCSA-N 1 2 279.340 0.820 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(CO)c2)CC1 ZINC000305868884 333001308 /nfs/dbraw/zinc/00/13/08/333001308.db2.gz ZQCPQDOVADMHJL-UHFFFAOYSA-N 1 2 287.363 0.368 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000516930364 333086564 /nfs/dbraw/zinc/08/65/64/333086564.db2.gz MLNOSURAFWOOSB-JMSVASOKSA-N 1 2 295.383 0.926 20 30 CCEDLO C[C@H](C#N)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172804623 335122775 /nfs/dbraw/zinc/12/27/75/335122775.db2.gz BZVKOCKKMOJEBD-CYBMUJFWSA-N 1 2 287.367 0.479 20 30 CCEDLO C[C@@H](C#N)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172804630 335122891 /nfs/dbraw/zinc/12/28/91/335122891.db2.gz BZVKOCKKMOJEBD-ZDUSSCGKSA-N 1 2 287.367 0.479 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000193325566 333248031 /nfs/dbraw/zinc/24/80/31/333248031.db2.gz VEDOEHATSARHKC-QWRGUYRKSA-N 1 2 271.324 0.518 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC)CC(=O)NC(C)C ZINC000575932064 335133122 /nfs/dbraw/zinc/13/31/22/335133122.db2.gz AFDGCOOAWAYXGI-LBPRGKRZSA-N 1 2 282.388 0.641 20 30 CCEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C2(C#N)CCC2)n1 ZINC000545787593 334000491 /nfs/dbraw/zinc/00/04/91/334000491.db2.gz AUFQAGRKGGNCJJ-SNVBAGLBSA-N 1 2 261.329 0.933 20 30 CCEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C2(C#N)CCC2)n1 ZINC000545787593 334000492 /nfs/dbraw/zinc/00/04/92/334000492.db2.gz AUFQAGRKGGNCJJ-SNVBAGLBSA-N 1 2 261.329 0.933 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249556706 334336546 /nfs/dbraw/zinc/33/65/46/334336546.db2.gz KBFCUJXYGDLPGS-JHJVBQTASA-N 1 2 294.399 0.580 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249556706 334336548 /nfs/dbraw/zinc/33/65/48/334336548.db2.gz KBFCUJXYGDLPGS-JHJVBQTASA-N 1 2 294.399 0.580 20 30 CCEDLO CC(C)OC(=O)CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565900649 334607485 /nfs/dbraw/zinc/60/74/85/334607485.db2.gz PVYJCRSWIHPUIG-UHFFFAOYSA-N 1 2 267.329 0.386 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncn(C(C)(C)C)n1 ZINC000567995253 334782565 /nfs/dbraw/zinc/78/25/65/334782565.db2.gz FXRMKLCGAWJRPG-ZDUSSCGKSA-N 1 2 278.360 0.607 20 30 CCEDLO COC(=O)Cc1occc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573210459 334918101 /nfs/dbraw/zinc/91/81/01/334918101.db2.gz KNPYVDVTXTYMMX-AWEZNQCLSA-N 1 2 293.323 0.569 20 30 CCEDLO COC1(CC(=O)N[C@](C)(C#N)C[NH+](C)C)CCC1 ZINC000577518243 335364023 /nfs/dbraw/zinc/36/40/23/335364023.db2.gz CAABIMPBGGUCCY-GFCCVEGCSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000349336634 335458908 /nfs/dbraw/zinc/45/89/08/335458908.db2.gz XQHQKAYTFXDBOP-LLVKDONJSA-N 1 2 291.307 0.713 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COC[C@H]1CCCO1 ZINC000579717496 335872463 /nfs/dbraw/zinc/87/24/63/335872463.db2.gz BKSZWAHVJHOJFW-DGCLKSJQSA-N 1 2 269.345 0.142 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387913 336193316 /nfs/dbraw/zinc/19/33/16/336193316.db2.gz ZJMPCGOGIQLRAB-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387913 336193318 /nfs/dbraw/zinc/19/33/18/336193318.db2.gz ZJMPCGOGIQLRAB-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000344395739 533860518 /nfs/dbraw/zinc/86/05/18/533860518.db2.gz VQTCRPWYABSRKR-LBPRGKRZSA-N 1 2 298.362 0.744 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cnc21 ZINC000330250319 534339142 /nfs/dbraw/zinc/33/91/42/534339142.db2.gz MYPQDYZTNFTDGN-JTQLQIEISA-N 1 2 297.322 0.879 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000451205029 534675786 /nfs/dbraw/zinc/67/57/86/534675786.db2.gz YWONFXKQBJFMFL-UHFFFAOYSA-N 1 2 288.351 0.491 20 30 CCEDLO C[NH+]1CCN(C(=O)CSc2ccc(C#N)cn2)CC1 ZINC000340674903 523875803 /nfs/dbraw/zinc/87/58/03/523875803.db2.gz LOWGEYWGUROVGS-UHFFFAOYSA-N 1 2 276.365 0.819 20 30 CCEDLO CC#CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000355173227 526321697 /nfs/dbraw/zinc/32/16/97/526321697.db2.gz JFLSFTXSCFYJOU-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C=CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665941097 545110181 /nfs/dbraw/zinc/11/01/81/545110181.db2.gz SYLAJYAKXMTTML-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000366558719 526592164 /nfs/dbraw/zinc/59/21/64/526592164.db2.gz SOORSHMAYYLTOT-CQSZACIVSA-N 1 2 286.335 0.500 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352698991 526623477 /nfs/dbraw/zinc/62/34/77/526623477.db2.gz NWIKLXMLAHFAPQ-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000330043108 526625027 /nfs/dbraw/zinc/62/50/27/526625027.db2.gz DZMDFDALIFWIFU-GXTWGEPZSA-N 1 2 297.399 0.922 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000666429067 545122772 /nfs/dbraw/zinc/12/27/72/545122772.db2.gz FSVSVVKCIZVQJQ-JSGCOSHPSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344975489 527111412 /nfs/dbraw/zinc/11/14/12/527111412.db2.gz QFMJRKRLHZDNBJ-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344975489 527111415 /nfs/dbraw/zinc/11/14/15/527111415.db2.gz QFMJRKRLHZDNBJ-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000339997184 527431985 /nfs/dbraw/zinc/43/19/85/527431985.db2.gz BJTKQNHOLDUOFC-UHFFFAOYSA-N 1 2 299.334 0.843 20 30 CCEDLO CC(C)N1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CC1=O ZINC000330251376 529097547 /nfs/dbraw/zinc/09/75/47/529097547.db2.gz NNVYSUBYSWXYPU-LLVKDONJSA-N 1 2 291.355 0.622 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000674235458 545300541 /nfs/dbraw/zinc/30/05/41/545300541.db2.gz AEOULYLVMXFZMH-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000674235458 545300542 /nfs/dbraw/zinc/30/05/42/545300542.db2.gz AEOULYLVMXFZMH-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676341157 545341838 /nfs/dbraw/zinc/34/18/38/545341838.db2.gz PBIOGJRJXZTIES-GFCCVEGCSA-N 1 2 254.330 0.122 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000677480363 545366339 /nfs/dbraw/zinc/36/63/39/545366339.db2.gz WQDGBVQQPSBWGO-UHFFFAOYSA-N 1 2 266.370 0.618 20 30 CCEDLO CCC[N@H+](CC#CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677818462 545373695 /nfs/dbraw/zinc/37/36/95/545373695.db2.gz OOMLGLCNIIYWHW-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO CCC[N@@H+](CC#CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677818462 545373696 /nfs/dbraw/zinc/37/36/96/545373696.db2.gz OOMLGLCNIIYWHW-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO CN1CCC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000358987326 536388116 /nfs/dbraw/zinc/38/81/16/536388116.db2.gz LUFVRONHLIZLOJ-QWHCGFSZSA-N 1 2 286.335 0.295 20 30 CCEDLO C=CCOCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000679532114 545411020 /nfs/dbraw/zinc/41/10/20/545411020.db2.gz HNPCQJYEQTWKMB-UHFFFAOYSA-N 1 2 277.324 0.956 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266895041 536654604 /nfs/dbraw/zinc/65/46/04/536654604.db2.gz XHPBZJPHRCETBZ-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266895041 536654609 /nfs/dbraw/zinc/65/46/09/536654609.db2.gz XHPBZJPHRCETBZ-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000683528871 545544033 /nfs/dbraw/zinc/54/40/33/545544033.db2.gz CIIHUKQPFFBDJN-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000683528871 545544037 /nfs/dbraw/zinc/54/40/37/545544037.db2.gz CIIHUKQPFFBDJN-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC2OCCO2)CC1 ZINC000777712982 581130974 /nfs/dbraw/zinc/13/09/74/581130974.db2.gz FZGKMDRWPAZUMK-LBPRGKRZSA-N 1 2 253.346 0.525 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)NCCC#N)C[C@H](C)O1 ZINC000789330898 581142440 /nfs/dbraw/zinc/14/24/40/581142440.db2.gz GKQHUDYACZPUPZ-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)CC(=O)NCCC#N)C[C@H](C)O1 ZINC000789330898 581142441 /nfs/dbraw/zinc/14/24/41/581142441.db2.gz GKQHUDYACZPUPZ-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)C(=O)OC)CC1 ZINC000778314713 581150859 /nfs/dbraw/zinc/15/08/59/581150859.db2.gz IRDKFMMLHPGFKG-JTQLQIEISA-N 1 2 281.308 0.005 20 30 CCEDLO C=CC[N@@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000777543929 581119874 /nfs/dbraw/zinc/11/98/74/581119874.db2.gz AHZAFMJEIQJVRQ-ZDUSSCGKSA-N 1 2 254.330 0.863 20 30 CCEDLO C=CC[N@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000777543929 581119876 /nfs/dbraw/zinc/11/98/76/581119876.db2.gz AHZAFMJEIQJVRQ-ZDUSSCGKSA-N 1 2 254.330 0.863 20 30 CCEDLO CC(C)(C#N)CCO[NH+]=C(N)CN1CCOCC1 ZINC000777751322 581132112 /nfs/dbraw/zinc/13/21/12/581132112.db2.gz IAHKZIHZTYRERH-UHFFFAOYSA-N 1 2 254.334 0.757 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745091237 581170224 /nfs/dbraw/zinc/17/02/24/581170224.db2.gz WFARGHFPRXJYSD-VXGBXAGGSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745091237 581170226 /nfs/dbraw/zinc/17/02/26/581170226.db2.gz WFARGHFPRXJYSD-VXGBXAGGSA-N 1 2 266.341 0.542 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)OCC(=O)NCCC#N)c1ccccc1 ZINC000780087070 581219417 /nfs/dbraw/zinc/21/94/17/581219417.db2.gz BHWNAZHIMDMJCX-CQSZACIVSA-N 1 2 289.335 0.862 20 30 CCEDLO C#CCCS(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000791422106 581220960 /nfs/dbraw/zinc/22/09/60/581220960.db2.gz JHVUOOUCOABYLE-UHFFFAOYSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CCCS(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000791422106 581220964 /nfs/dbraw/zinc/22/09/64/581220964.db2.gz JHVUOOUCOABYLE-UHFFFAOYSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000780500578 581231100 /nfs/dbraw/zinc/23/11/00/581231100.db2.gz HAFVHVZMUVULPN-AWEZNQCLSA-N 1 2 265.401 0.932 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000780500578 581231101 /nfs/dbraw/zinc/23/11/01/581231101.db2.gz HAFVHVZMUVULPN-AWEZNQCLSA-N 1 2 265.401 0.932 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)[C@@H]1CCCO1 ZINC000792287362 581257025 /nfs/dbraw/zinc/25/70/25/581257025.db2.gz WIBXATIBQOKXEH-USWWRNFRSA-N 1 2 261.329 0.839 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2c(cccc2OC)C1 ZINC000782527302 581306436 /nfs/dbraw/zinc/30/64/36/581306436.db2.gz ILVZZXAKXBEDIJ-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000782527302 581306438 /nfs/dbraw/zinc/30/64/38/581306438.db2.gz ILVZZXAKXBEDIJ-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000782590474 581310836 /nfs/dbraw/zinc/31/08/36/581310836.db2.gz DNDPVVMEISPBQE-BXUZGUMPSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000782590474 581310838 /nfs/dbraw/zinc/31/08/38/581310838.db2.gz DNDPVVMEISPBQE-BXUZGUMPSA-N 1 2 273.336 0.754 20 30 CCEDLO C#CCOCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000784325280 581379966 /nfs/dbraw/zinc/37/99/66/581379966.db2.gz GHRPAUPWORDDFD-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785844798 581423451 /nfs/dbraw/zinc/42/34/51/581423451.db2.gz XPTOJRQSQYJMDK-GFCCVEGCSA-N 1 2 291.326 0.813 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785844798 581423453 /nfs/dbraw/zinc/42/34/53/581423453.db2.gz XPTOJRQSQYJMDK-GFCCVEGCSA-N 1 2 291.326 0.813 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000787226104 581461390 /nfs/dbraw/zinc/46/13/90/581461390.db2.gz GWBOOBOTWYFKOA-LLVKDONJSA-N 1 2 251.330 0.817 20 30 CCEDLO C[C@H](C(=O)NC1=NO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000765384213 581510735 /nfs/dbraw/zinc/51/07/35/581510735.db2.gz MOEGFDRHSNZPJA-DTWKUNHWSA-N 1 2 257.359 0.662 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000752853616 581519081 /nfs/dbraw/zinc/51/90/81/581519081.db2.gz DPMIBNGGZLMLRR-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCOCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000753149205 581529584 /nfs/dbraw/zinc/52/95/84/581529584.db2.gz UOYFEYCJTRJSBS-UHFFFAOYSA-N 1 2 299.334 0.716 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC000733952512 581533924 /nfs/dbraw/zinc/53/39/24/581533924.db2.gz JXJJWGSWRCAXGZ-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C=C(C)CNC(=S)NCC1([NH+]2CCOCC2)CC1 ZINC000765974239 581543523 /nfs/dbraw/zinc/54/35/23/581543523.db2.gz AMDUYJAWBHRLMV-UHFFFAOYSA-N 1 2 269.414 0.891 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N(CC)CC2CC2)CC1 ZINC000766039152 581547610 /nfs/dbraw/zinc/54/76/10/581547610.db2.gz OHBWWOKOAILKEH-UHFFFAOYSA-N 1 2 299.440 0.604 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000766137269 581551867 /nfs/dbraw/zinc/55/18/67/581551867.db2.gz VTQHHRTYIYSTTM-LLVKDONJSA-N 1 2 278.274 0.371 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC000766371526 581564416 /nfs/dbraw/zinc/56/44/16/581564416.db2.gz KEALVXMVJYVMDM-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cn1 ZINC000729448920 581594199 /nfs/dbraw/zinc/59/41/99/581594199.db2.gz GLLWPFVCBMKXBG-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000730097558 581645822 /nfs/dbraw/zinc/64/58/22/581645822.db2.gz AFJKGKMLUUAKKS-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000730097558 581645823 /nfs/dbraw/zinc/64/58/23/581645823.db2.gz AFJKGKMLUUAKKS-AWEZNQCLSA-N 1 2 285.347 0.839 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000769480198 581691956 /nfs/dbraw/zinc/69/19/56/581691956.db2.gz LUDDUXGQIKFRCC-LJQANCHMSA-N 1 2 281.381 0.647 20 30 CCEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccccc1N(C)C ZINC000769586152 581696976 /nfs/dbraw/zinc/69/69/76/581696976.db2.gz OQKVBZAUZIABHN-UHFFFAOYSA-N 1 2 293.396 0.426 20 30 CCEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)NCCC#N ZINC000757860664 581712270 /nfs/dbraw/zinc/71/22/70/581712270.db2.gz PLZRWBJIEUNHOC-GFCCVEGCSA-N 1 2 288.351 0.565 20 30 CCEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)NCCC#N ZINC000757860664 581712274 /nfs/dbraw/zinc/71/22/74/581712274.db2.gz PLZRWBJIEUNHOC-GFCCVEGCSA-N 1 2 288.351 0.565 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)c1cccc(S(N)(=O)=O)c1C#N ZINC000757921206 581714315 /nfs/dbraw/zinc/71/43/15/581714315.db2.gz SMRTYNNZYWIBCN-UHFFFAOYSA-N 1 2 291.336 0.565 20 30 CCEDLO C#CCNC(=S)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000758189069 581725698 /nfs/dbraw/zinc/72/56/98/581725698.db2.gz BJMLRIISZRXUHP-UHFFFAOYSA-N 1 2 290.392 0.516 20 30 CCEDLO C#CCNC(=S)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000758192985 581726392 /nfs/dbraw/zinc/72/63/92/581726392.db2.gz HIURILPXSSTVEK-UHFFFAOYSA-N 1 2 290.392 0.516 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741146650 581733031 /nfs/dbraw/zinc/73/30/31/581733031.db2.gz OMOBGAACUJYXIE-QWRGUYRKSA-N 1 2 254.330 0.705 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741146650 581733034 /nfs/dbraw/zinc/73/30/34/581733034.db2.gz OMOBGAACUJYXIE-QWRGUYRKSA-N 1 2 254.330 0.705 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000730775582 581733464 /nfs/dbraw/zinc/73/34/64/581733464.db2.gz RZDCGCHAJPUYIL-UHFFFAOYSA-N 1 2 268.320 0.734 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770666067 581759999 /nfs/dbraw/zinc/75/99/99/581759999.db2.gz RJRNYDRLPXQVSR-MELADBBJSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770666067 581760000 /nfs/dbraw/zinc/76/00/00/581760000.db2.gz RJRNYDRLPXQVSR-MELADBBJSA-N 1 2 290.319 0.200 20 30 CCEDLO C#CCCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000758768238 581768884 /nfs/dbraw/zinc/76/88/84/581768884.db2.gz TZPROBMWJPFGHT-ZDUSSCGKSA-N 1 2 266.389 0.335 20 30 CCEDLO C#CCCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000758768238 581768887 /nfs/dbraw/zinc/76/88/87/581768887.db2.gz TZPROBMWJPFGHT-ZDUSSCGKSA-N 1 2 266.389 0.335 20 30 CCEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N(C)C)cc1 ZINC000731930480 581794553 /nfs/dbraw/zinc/79/45/53/581794553.db2.gz ZBWUFPBPGRBEEV-UHFFFAOYSA-N 1 2 293.396 0.426 20 30 CCEDLO C#CC[N@H+](CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 ZINC000744399060 581841331 /nfs/dbraw/zinc/84/13/31/581841331.db2.gz VTTDZOSWVIZLKH-LLVKDONJSA-N 1 2 257.355 0.145 20 30 CCEDLO CCC(CC)C[N@H+](CCC#N)CCS(N)(=O)=O ZINC000744405920 581841033 /nfs/dbraw/zinc/84/10/33/581841033.db2.gz YNNWVKRWRQARIB-UHFFFAOYSA-N 1 2 261.391 0.927 20 30 CCEDLO CCC(CC)C[N@@H+](CCC#N)CCS(N)(=O)=O ZINC000744405920 581841036 /nfs/dbraw/zinc/84/10/36/581841036.db2.gz YNNWVKRWRQARIB-UHFFFAOYSA-N 1 2 261.391 0.927 20 30 CCEDLO C#CC[N@@H+](CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 ZINC000744399060 581841328 /nfs/dbraw/zinc/84/13/28/581841328.db2.gz VTTDZOSWVIZLKH-LLVKDONJSA-N 1 2 257.355 0.145 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000744419006 581842175 /nfs/dbraw/zinc/84/21/75/581842175.db2.gz DSMMVRKFSIWGRM-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)CCC#N ZINC000745078245 581863878 /nfs/dbraw/zinc/86/38/78/581863878.db2.gz CADVKRAOKUUXEP-NEPJUHHUSA-N 1 2 281.356 0.774 20 30 CCEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)CCC#N ZINC000745078245 581863881 /nfs/dbraw/zinc/86/38/81/581863881.db2.gz CADVKRAOKUUXEP-NEPJUHHUSA-N 1 2 281.356 0.774 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078918 581864020 /nfs/dbraw/zinc/86/40/20/581864020.db2.gz ICPYGTXHORBFBB-LBPRGKRZSA-N 1 2 281.356 0.776 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078918 581864024 /nfs/dbraw/zinc/86/40/24/581864024.db2.gz ICPYGTXHORBFBB-LBPRGKRZSA-N 1 2 281.356 0.776 20 30 CCEDLO C[C@H]1CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000760550581 581864623 /nfs/dbraw/zinc/86/46/23/581864623.db2.gz HOXSPFDVXYZQQQ-ZDUSSCGKSA-N 1 2 299.378 0.901 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000760913277 581879602 /nfs/dbraw/zinc/87/96/02/581879602.db2.gz OIHFEVXJLQZJTP-UHFFFAOYSA-N 1 2 289.339 0.095 20 30 CCEDLO C#CCNS(=O)(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000761039082 581884091 /nfs/dbraw/zinc/88/40/91/581884091.db2.gz UGIJXAZFZPKGRD-UHFFFAOYSA-N 1 2 299.318 0.024 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1nc(CCOC)no1 ZINC000761107318 581888332 /nfs/dbraw/zinc/88/83/32/581888332.db2.gz DCPZIGOZDUDQIO-UHFFFAOYSA-N 1 2 253.302 0.340 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(COC)C1=O)C(C)C ZINC000733293407 581898218 /nfs/dbraw/zinc/89/82/18/581898218.db2.gz NGYZLMUIGMVQJK-CYBMUJFWSA-N 1 2 269.345 0.797 20 30 CCEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(COC)C1=O)C(C)C ZINC000733293407 581898221 /nfs/dbraw/zinc/89/82/21/581898221.db2.gz NGYZLMUIGMVQJK-CYBMUJFWSA-N 1 2 269.345 0.797 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000773947718 581904121 /nfs/dbraw/zinc/90/41/21/581904121.db2.gz FYCKQGJSEALEMX-NSHDSACASA-N 1 2 288.351 0.875 20 30 CCEDLO NS(=O)(=O)c1ccccc1N=NCc1[nH]cc[nH+]1 ZINC000773124515 581909633 /nfs/dbraw/zinc/90/96/33/581909633.db2.gz GRXMTPMEASODMM-UHFFFAOYSA-N 1 2 265.298 0.503 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000761680325 581917843 /nfs/dbraw/zinc/91/78/43/581917843.db2.gz RKOWGLMMZHQNSL-UHFFFAOYSA-N 1 2 288.351 0.447 20 30 CCEDLO CON=CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000773760727 581940747 /nfs/dbraw/zinc/94/07/47/581940747.db2.gz FGIYFHIZQJFUJD-UHFFFAOYSA-N 1 2 278.312 0.167 20 30 CCEDLO N#Cc1ccc(CC(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747698431 581950228 /nfs/dbraw/zinc/95/02/28/581950228.db2.gz LLBAQVCHBPDBPD-UHFFFAOYSA-N 1 2 274.320 0.976 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000747835876 581954503 /nfs/dbraw/zinc/95/45/03/581954503.db2.gz GSQHHHJLHJPRDM-JTQLQIEISA-N 1 2 255.318 0.295 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000737466836 581962314 /nfs/dbraw/zinc/96/23/14/581962314.db2.gz DTFMFZPOMGBNDK-UHFFFAOYSA-N 1 2 259.233 0.332 20 30 CCEDLO C#CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774235810 581966122 /nfs/dbraw/zinc/96/61/22/581966122.db2.gz LWLHUBLWZWVKBE-UHFFFAOYSA-N 1 2 256.265 0.412 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000748342713 581969487 /nfs/dbraw/zinc/96/94/87/581969487.db2.gz PZHYGWMENGBXOW-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000749306107 582002494 /nfs/dbraw/zinc/00/24/94/582002494.db2.gz MGMMVHJTJZISHD-MRVPVSSYSA-N 1 2 283.191 0.648 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000749306107 582002495 /nfs/dbraw/zinc/00/24/95/582002495.db2.gz MGMMVHJTJZISHD-MRVPVSSYSA-N 1 2 283.191 0.648 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)C1CC1 ZINC000763943301 582021955 /nfs/dbraw/zinc/02/19/55/582021955.db2.gz DUEQZUYLRPXITN-AWEZNQCLSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)C1CC1 ZINC000763943301 582021959 /nfs/dbraw/zinc/02/19/59/582021959.db2.gz DUEQZUYLRPXITN-AWEZNQCLSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000775426789 582024256 /nfs/dbraw/zinc/02/42/56/582024256.db2.gz LNJRYLKZDOUGDW-CHWSQXEVSA-N 1 2 285.388 0.191 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000775426789 582024258 /nfs/dbraw/zinc/02/42/58/582024258.db2.gz LNJRYLKZDOUGDW-CHWSQXEVSA-N 1 2 285.388 0.191 20 30 CCEDLO Nc1[nH+]cccc1CN=Nc1nccc(N2CCOCC2)n1 ZINC000764697007 582062466 /nfs/dbraw/zinc/06/24/66/582062466.db2.gz SYLVUBPTDVJMBA-UHFFFAOYSA-N 1 2 299.338 0.736 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CC(=O)OCC(C)C)CC1 ZINC000776574138 582078699 /nfs/dbraw/zinc/07/86/99/582078699.db2.gz DFLMOWQQHOYYJA-UHFFFAOYSA-N 1 2 297.399 0.105 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000765108936 582089691 /nfs/dbraw/zinc/08/96/91/582089691.db2.gz GIDDFBHMGJXASF-NEPJUHHUSA-N 1 2 288.355 0.003 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000765108936 582089693 /nfs/dbraw/zinc/08/96/93/582089693.db2.gz GIDDFBHMGJXASF-NEPJUHHUSA-N 1 2 288.355 0.003 20 30 CCEDLO O=S1(=O)CCC(NN=C2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000776793976 582091377 /nfs/dbraw/zinc/09/13/77/582091377.db2.gz UYMXOIUHCWESFD-LBPRGKRZSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC(NN=C2CC[N@H+]3CCC[C@@H]23)CC1 ZINC000776793976 582091378 /nfs/dbraw/zinc/09/13/78/582091378.db2.gz UYMXOIUHCWESFD-LBPRGKRZSA-N 1 2 271.386 0.377 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826569760 612945622 /nfs/dbraw/zinc/94/56/22/612945622.db2.gz RYLJQTNZWMEUCE-HNNXBMFYSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826569760 612945623 /nfs/dbraw/zinc/94/56/23/612945623.db2.gz RYLJQTNZWMEUCE-HNNXBMFYSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852711334 612948289 /nfs/dbraw/zinc/94/82/89/612948289.db2.gz FDFBCWJYLNVMKM-NOZJJQNGSA-N 1 2 282.290 0.726 20 30 CCEDLO C#CC1(F)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000881940750 612948908 /nfs/dbraw/zinc/94/89/08/612948908.db2.gz MDDQEQALDKFNAK-CYBMUJFWSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CC1(F)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000881940750 612948910 /nfs/dbraw/zinc/94/89/10/612948910.db2.gz MDDQEQALDKFNAK-CYBMUJFWSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CCNC(=S)NCc1nc(C[NH+](C)C)cs1 ZINC000905620051 612953675 /nfs/dbraw/zinc/95/36/75/612953675.db2.gz WEAMPSXLVSDVBT-UHFFFAOYSA-N 1 2 268.411 0.802 20 30 CCEDLO C#CCCCCCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000900643525 612976605 /nfs/dbraw/zinc/97/66/05/612976605.db2.gz OLGDXUXMYFTZGQ-CYBMUJFWSA-N 1 2 278.356 0.905 20 30 CCEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877321795 617296163 /nfs/dbraw/zinc/29/61/63/617296163.db2.gz SOLUCXCIVKNMPS-VIFPVBQESA-N 1 2 253.327 0.583 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000801911760 617297481 /nfs/dbraw/zinc/29/74/81/617297481.db2.gz BQWNKFSHTHIVOW-QWHCGFSZSA-N 1 2 281.356 0.238 20 30 CCEDLO C#CC(C)(C)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900703265 612945910 /nfs/dbraw/zinc/94/59/10/612945910.db2.gz KSQVSEXZRKGHRG-UHFFFAOYSA-N 1 2 265.401 0.931 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)S(N)(=O)=O ZINC000853465849 612982821 /nfs/dbraw/zinc/98/28/21/612982821.db2.gz MTYCBKFYHYDDBV-NSHDSACASA-N 1 2 297.380 0.963 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)C(=O)NC ZINC000853534329 612983019 /nfs/dbraw/zinc/98/30/19/612983019.db2.gz ITTNDWLCGVBUMK-NSHDSACASA-N 1 2 277.324 0.393 20 30 CCEDLO C#CCOCC[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000879432693 612984410 /nfs/dbraw/zinc/98/44/10/612984410.db2.gz NUWVCDWQPJZYLP-CYBMUJFWSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCC[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000879432693 612984412 /nfs/dbraw/zinc/98/44/12/612984412.db2.gz NUWVCDWQPJZYLP-CYBMUJFWSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCCN(CCOC)C(=O)CNc1cccc[nH+]1 ZINC000912728773 612987196 /nfs/dbraw/zinc/98/71/96/612987196.db2.gz MHYQOBIACXXVAP-UHFFFAOYSA-N 1 2 261.325 0.992 20 30 CCEDLO C#CCOCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000840287775 612990017 /nfs/dbraw/zinc/99/00/17/612990017.db2.gz YVZCJGGBNPUAQY-SNVBAGLBSA-N 1 2 250.302 0.331 20 30 CCEDLO C#CCOCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000840287775 612990018 /nfs/dbraw/zinc/99/00/18/612990018.db2.gz YVZCJGGBNPUAQY-SNVBAGLBSA-N 1 2 250.302 0.331 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000957395372 612991719 /nfs/dbraw/zinc/99/17/19/612991719.db2.gz ZTAAVBXHSHEJPJ-UHFFFAOYSA-N 1 2 288.351 0.283 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000950823610 612992087 /nfs/dbraw/zinc/99/20/87/612992087.db2.gz CTOAWMNBCZUXFT-UHFFFAOYSA-N 1 2 289.335 0.548 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]cc2F)C1 ZINC000951634894 612993407 /nfs/dbraw/zinc/99/34/07/612993407.db2.gz PNIWBOBCWUAKOE-UHFFFAOYSA-N 1 2 264.304 0.718 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(=O)cc[nH]2)CC1 ZINC000931345022 613010846 /nfs/dbraw/zinc/01/08/46/613010846.db2.gz YKQUHGNJBSPUDZ-UHFFFAOYSA-N 1 2 259.309 0.156 20 30 CCEDLO C#CCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772981 613051024 /nfs/dbraw/zinc/05/10/24/613051024.db2.gz GYMVCQSMDJQWOO-OLZOCXBDSA-N 1 2 267.325 0.433 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000798460547 613057646 /nfs/dbraw/zinc/05/76/46/613057646.db2.gz HRHLXEMFMCNXFS-NWDGAFQWSA-N 1 2 276.340 0.271 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844139762 613062761 /nfs/dbraw/zinc/06/27/61/613062761.db2.gz DEWRRVWVAWZOFX-YPMHNXCESA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000846256629 613068087 /nfs/dbraw/zinc/06/80/87/613068087.db2.gz IJJWTYODYJWIQB-MNOVXSKESA-N 1 2 263.297 0.515 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)OC ZINC000837949082 613068508 /nfs/dbraw/zinc/06/85/08/613068508.db2.gz AMEJBFBSMGNQIE-MNOVXSKESA-N 1 2 284.381 0.105 20 30 CCEDLO C#CC[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000886362956 613074277 /nfs/dbraw/zinc/07/42/77/613074277.db2.gz UPDWUKCEMYMIAT-NSHDSACASA-N 1 2 256.309 0.868 20 30 CCEDLO C#CC[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000886362956 613074280 /nfs/dbraw/zinc/07/42/80/613074280.db2.gz UPDWUKCEMYMIAT-NSHDSACASA-N 1 2 256.309 0.868 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000834603005 613077300 /nfs/dbraw/zinc/07/73/00/613077300.db2.gz HRZRQMMLTJLTID-LLVKDONJSA-N 1 2 271.324 0.734 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000834603005 613077302 /nfs/dbraw/zinc/07/73/02/613077302.db2.gz HRZRQMMLTJLTID-LLVKDONJSA-N 1 2 271.324 0.734 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H](O)c2c[nH+]c[nH]2)n1 ZINC000867929367 613078629 /nfs/dbraw/zinc/07/86/29/613078629.db2.gz ABSAMPFIQFXWQV-ZDUSSCGKSA-N 1 2 287.323 0.322 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000972719600 613083133 /nfs/dbraw/zinc/08/31/33/613083133.db2.gz XEDCYNPPCWFXOT-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000972719600 613083134 /nfs/dbraw/zinc/08/31/34/613083134.db2.gz XEDCYNPPCWFXOT-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000972719600 613083135 /nfs/dbraw/zinc/08/31/35/613083135.db2.gz XEDCYNPPCWFXOT-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000972719600 613083136 /nfs/dbraw/zinc/08/31/36/613083136.db2.gz XEDCYNPPCWFXOT-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000852305251 613094069 /nfs/dbraw/zinc/09/40/69/613094069.db2.gz VZNNANMJVBGYDX-ZIAGYGMSSA-N 1 2 279.384 0.760 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000855496328 613104237 /nfs/dbraw/zinc/10/42/37/613104237.db2.gz ZNMXFUSOBDCBRI-UHFFFAOYSA-N 1 2 277.324 0.756 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000941310291 613114553 /nfs/dbraw/zinc/11/45/53/613114553.db2.gz IDIGLGSNONSEEE-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC000941516828 613114646 /nfs/dbraw/zinc/11/46/46/613114646.db2.gz HQCCWJZWDQCIBE-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CCC3)CC2)C1 ZINC000941271713 613114654 /nfs/dbraw/zinc/11/46/54/613114654.db2.gz GRTSAISUOZCWCH-UHFFFAOYSA-N 1 2 261.369 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)C1 ZINC000941316033 613114924 /nfs/dbraw/zinc/11/49/24/613114924.db2.gz LZYFIKFLQXKZOH-HNNXBMFYSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCO3)CC2)C1 ZINC000941381187 613115003 /nfs/dbraw/zinc/11/50/03/613115003.db2.gz YZOQHDBLMHNKHO-HNNXBMFYSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000941416541 613115496 /nfs/dbraw/zinc/11/54/96/613115496.db2.gz DJGHMVSQFSXPLV-UHFFFAOYSA-N 1 2 272.352 0.090 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)C1 ZINC000941622884 613115798 /nfs/dbraw/zinc/11/57/98/613115798.db2.gz PFAGTSXVNWTZOQ-HOTGVXAUSA-N 1 2 289.423 0.740 20 30 CCEDLO C#CC[NH+]1CCC(Nc2ncnc3[nH]cnc32)CC1 ZINC000895806973 613139090 /nfs/dbraw/zinc/13/90/90/613139090.db2.gz GZNSOJNUQJMGJN-UHFFFAOYSA-N 1 2 256.313 0.862 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC000981820128 613155047 /nfs/dbraw/zinc/15/50/47/613155047.db2.gz JZCLRTNEQYPVEQ-CYBMUJFWSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC000981820128 613155050 /nfs/dbraw/zinc/15/50/50/613155050.db2.gz JZCLRTNEQYPVEQ-CYBMUJFWSA-N 1 2 254.305 0.283 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000852216255 613159545 /nfs/dbraw/zinc/15/95/45/613159545.db2.gz XLUNFMLXHKIXDH-JTQLQIEISA-N 1 2 268.338 0.772 20 30 CCEDLO C#C[C@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000852216255 613159547 /nfs/dbraw/zinc/15/95/47/613159547.db2.gz XLUNFMLXHKIXDH-JTQLQIEISA-N 1 2 268.338 0.772 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925605244 613161265 /nfs/dbraw/zinc/16/12/65/613161265.db2.gz DNQKLUDQFBTPOP-KGLIPLIRSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000923566620 613172309 /nfs/dbraw/zinc/17/23/09/613172309.db2.gz MPHAJAWXFSKTRP-LSDHHAIUSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(C)C)C1 ZINC000885511410 613175631 /nfs/dbraw/zinc/17/56/31/613175631.db2.gz HRTXFQZLFMHUFF-GFCCVEGCSA-N 1 2 258.387 0.659 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(C)C)C1 ZINC000885511410 613175633 /nfs/dbraw/zinc/17/56/33/613175633.db2.gz HRTXFQZLFMHUFF-GFCCVEGCSA-N 1 2 258.387 0.659 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCF)C1 ZINC000885511772 613193032 /nfs/dbraw/zinc/19/30/32/613193032.db2.gz MICGJQIPQWIDDI-NSHDSACASA-N 1 2 262.350 0.363 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCF)C1 ZINC000885511772 613193033 /nfs/dbraw/zinc/19/30/33/613193033.db2.gz MICGJQIPQWIDDI-NSHDSACASA-N 1 2 262.350 0.363 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000885512216 613193061 /nfs/dbraw/zinc/19/30/61/613193061.db2.gz UHSYOFATVZUXRC-OLZOCXBDSA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000885512216 613193063 /nfs/dbraw/zinc/19/30/63/613193063.db2.gz UHSYOFATVZUXRC-OLZOCXBDSA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509631 613193155 /nfs/dbraw/zinc/19/31/55/613193155.db2.gz VEPKZXGKIIKCII-IGQOVBAYSA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509631 613193156 /nfs/dbraw/zinc/19/31/56/613193156.db2.gz VEPKZXGKIIKCII-IGQOVBAYSA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(CC)CC2CC2)C1 ZINC000885511414 613193210 /nfs/dbraw/zinc/19/32/10/613193210.db2.gz HSPFLAGGFUOQIZ-AWEZNQCLSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(CC)CC2CC2)C1 ZINC000885511414 613193213 /nfs/dbraw/zinc/19/32/13/613193213.db2.gz HSPFLAGGFUOQIZ-AWEZNQCLSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(CC)o1 ZINC000793833148 613200516 /nfs/dbraw/zinc/20/05/16/613200516.db2.gz BCYZVKNOTHCQJC-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(CC)o1 ZINC000793833148 613200518 /nfs/dbraw/zinc/20/05/18/613200518.db2.gz BCYZVKNOTHCQJC-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)c2cnccn2)CC1 ZINC000825891405 613204416 /nfs/dbraw/zinc/20/44/16/613204416.db2.gz JVTSVJOTIWDNKR-ACCUITESSA-N 1 2 270.336 0.657 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C(=O)OCC)nc(C)n2)CC1 ZINC000881786081 613209545 /nfs/dbraw/zinc/20/95/45/613209545.db2.gz CHLBAGBNSWGKNY-UHFFFAOYSA-N 1 2 288.351 0.717 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308994 613211017 /nfs/dbraw/zinc/21/10/17/613211017.db2.gz SZHGFRYNRDSMAN-INIZCTEOSA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308994 613211018 /nfs/dbraw/zinc/21/10/18/613211018.db2.gz SZHGFRYNRDSMAN-INIZCTEOSA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972215625 613211139 /nfs/dbraw/zinc/21/11/39/613211139.db2.gz PLQYJRLPRGISRA-ZDUSSCGKSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972215625 613211140 /nfs/dbraw/zinc/21/11/40/613211140.db2.gz PLQYJRLPRGISRA-ZDUSSCGKSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C\c3ccc[nH]3)C2)C1 ZINC000972356586 613211724 /nfs/dbraw/zinc/21/17/24/613211724.db2.gz DGIZBLZFLWGATH-KEGWNNHHSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C\c3ccc[nH]3)C2)C1 ZINC000972356586 613211727 /nfs/dbraw/zinc/21/17/27/613211727.db2.gz DGIZBLZFLWGATH-KEGWNNHHSA-N 1 2 299.374 0.964 20 30 CCEDLO C/C(=C/C(=O)N1CC[C@@](F)(C#N)C1)C[NH+]1CCOCC1 ZINC000907636485 613233219 /nfs/dbraw/zinc/23/32/19/613233219.db2.gz QZFQZYPWTYNBAZ-ICDLMJIXSA-N 1 2 281.331 0.729 20 30 CCEDLO C/C(=C/C(=O)N[C@H](C#N)C1CC1)C[NH+]1CCOCC1 ZINC000900639481 613239785 /nfs/dbraw/zinc/23/97/85/613239785.db2.gz YDUGONIILPMMIZ-BIRHUZIMSA-N 1 2 263.341 0.683 20 30 CCEDLO C/C(=C\C(=O)N[C@]1(C#N)CCSC1)C[NH+]1CCOCC1 ZINC000900464535 613259876 /nfs/dbraw/zinc/25/98/76/613259876.db2.gz OVHLRGYLSCIKSO-BCNIOPEESA-N 1 2 295.408 0.780 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2nonc2C)CC1 ZINC000957908953 613322058 /nfs/dbraw/zinc/32/20/58/613322058.db2.gz YCLNWMLEWVDVLA-UHFFFAOYSA-N 1 2 250.302 0.712 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000895579227 613353360 /nfs/dbraw/zinc/35/33/60/613353360.db2.gz KITADAWGSOZKHT-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000895579227 613353361 /nfs/dbraw/zinc/35/33/61/613353361.db2.gz KITADAWGSOZKHT-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925608975 613354934 /nfs/dbraw/zinc/35/49/34/613354934.db2.gz MSNCBJYWRNLQPL-KBPBESRZSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882902050 613355219 /nfs/dbraw/zinc/35/52/19/613355219.db2.gz XLFNTRQRDXOISY-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCCn1cc[nH+]c1 ZINC000849963403 613356617 /nfs/dbraw/zinc/35/66/17/613356617.db2.gz ZLZCTVMMBMQSQL-GFCCVEGCSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OCC ZINC000881754632 613358625 /nfs/dbraw/zinc/35/86/25/613358625.db2.gz SUFWXFXTOANZQB-LBPRGKRZSA-N 1 2 279.340 0.977 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912611324 613361605 /nfs/dbraw/zinc/36/16/05/613361605.db2.gz BZPGYGXORMHPMZ-LOWVWBTDSA-N 1 2 279.340 0.551 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969920306 613372153 /nfs/dbraw/zinc/37/21/53/613372153.db2.gz ZCVLQAQBFCDRHC-CMPLNLGQSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000970315236 613372169 /nfs/dbraw/zinc/37/21/69/613372169.db2.gz VQAYORGEEXCQRE-CMPLNLGQSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)c2C)C1 ZINC000969434279 613372640 /nfs/dbraw/zinc/37/26/40/613372640.db2.gz ZCMBQDDRNQPRIB-VIFPVBQESA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981322963 613373333 /nfs/dbraw/zinc/37/33/33/613373333.db2.gz XNQPJIQUNVPPCV-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000981322963 613373334 /nfs/dbraw/zinc/37/33/34/613373334.db2.gz XNQPJIQUNVPPCV-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944047991 613376373 /nfs/dbraw/zinc/37/63/73/613376373.db2.gz WOUQXCWUUFTFNU-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944047991 613376374 /nfs/dbraw/zinc/37/63/74/613376374.db2.gz WOUQXCWUUFTFNU-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000957907031 613380290 /nfs/dbraw/zinc/38/02/90/613380290.db2.gz WDOHBQXBVUTIGX-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000957907031 613380291 /nfs/dbraw/zinc/38/02/91/613380291.db2.gz WDOHBQXBVUTIGX-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ocnc2C)C1 ZINC000957960020 613381422 /nfs/dbraw/zinc/38/14/22/613381422.db2.gz AUNXPEMDRVOUFZ-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ocnc2C)C1 ZINC000957960020 613381423 /nfs/dbraw/zinc/38/14/23/613381423.db2.gz AUNXPEMDRVOUFZ-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000981909057 613393325 /nfs/dbraw/zinc/39/33/25/613393325.db2.gz DCEAKPFXVUSOHL-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000981909057 613393326 /nfs/dbraw/zinc/39/33/26/613393326.db2.gz DCEAKPFXVUSOHL-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897649030 613404303 /nfs/dbraw/zinc/40/43/03/613404303.db2.gz MUIPFHHUZUKCGU-GWCFXTLKSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897649030 613404306 /nfs/dbraw/zinc/40/43/06/613404306.db2.gz MUIPFHHUZUKCGU-GWCFXTLKSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946446 613410362 /nfs/dbraw/zinc/41/03/62/613410362.db2.gz JYOMYQHKNZEYRJ-NXEZZACHSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946446 613410363 /nfs/dbraw/zinc/41/03/63/613410363.db2.gz JYOMYQHKNZEYRJ-NXEZZACHSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000878453478 613413370 /nfs/dbraw/zinc/41/33/70/613413370.db2.gz VEZYDGGNKONUOA-LLVKDONJSA-N 1 2 263.297 0.658 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000878453478 613413372 /nfs/dbraw/zinc/41/33/72/613413372.db2.gz VEZYDGGNKONUOA-LLVKDONJSA-N 1 2 263.297 0.658 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938991822 613440001 /nfs/dbraw/zinc/44/00/01/613440001.db2.gz SZUSIDBQIRXQNE-NSHDSACASA-N 1 2 290.367 0.882 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000845635497 613445741 /nfs/dbraw/zinc/44/57/41/613445741.db2.gz HBAOASDXFNACBC-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000845635497 613445744 /nfs/dbraw/zinc/44/57/44/613445744.db2.gz HBAOASDXFNACBC-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCCC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000928314021 613473490 /nfs/dbraw/zinc/47/34/90/613473490.db2.gz NXEIJOCYQGSLQQ-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000845637058 613486496 /nfs/dbraw/zinc/48/64/96/613486496.db2.gz VTWIUPQYQPYJDY-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000845637058 613486499 /nfs/dbraw/zinc/48/64/99/613486499.db2.gz VTWIUPQYQPYJDY-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000824814373 613496185 /nfs/dbraw/zinc/49/61/85/613496185.db2.gz QKRGTUPDITYKCF-NSHDSACASA-N 1 2 250.298 0.870 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435844 613506693 /nfs/dbraw/zinc/50/66/93/613506693.db2.gz YOUIBJHNDYJBHO-HNNXBMFYSA-N 1 2 281.400 0.162 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC3CC3)CC2)C1 ZINC000941277086 613529836 /nfs/dbraw/zinc/52/98/36/613529836.db2.gz YQGIJDBQCKDJJR-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000941298494 613530076 /nfs/dbraw/zinc/53/00/76/613530076.db2.gz WFMCGDCRNKNWRP-OAHLLOKOSA-N 1 2 291.395 0.017 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913444965 613571315 /nfs/dbraw/zinc/57/13/15/613571315.db2.gz IIMGRAYOTPYLEX-LBPRGKRZSA-N 1 2 264.329 0.475 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2COC(C)(C)O2)nn1 ZINC000881392665 613644992 /nfs/dbraw/zinc/64/49/92/613644992.db2.gz WJUVUVYOCUAJNS-LBPRGKRZSA-N 1 2 264.329 0.543 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933222690 613646514 /nfs/dbraw/zinc/64/65/14/613646514.db2.gz GZQQXFNMZBKKKN-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933222690 613646515 /nfs/dbraw/zinc/64/65/15/613646515.db2.gz GZQQXFNMZBKKKN-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](OC)CC1=O)[C@@H](C)COC ZINC000853533948 613651049 /nfs/dbraw/zinc/65/10/49/613651049.db2.gz FGLIQBDWOARLMX-RYUDHWBXSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](OC)CC1=O)[C@@H](C)COC ZINC000853533948 613651052 /nfs/dbraw/zinc/65/10/52/613651052.db2.gz FGLIQBDWOARLMX-RYUDHWBXSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925294149 613652840 /nfs/dbraw/zinc/65/28/40/613652840.db2.gz GPRLNSYISKEBFX-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925294149 613652841 /nfs/dbraw/zinc/65/28/41/613652841.db2.gz GPRLNSYISKEBFX-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ncccc2OC)CC1 ZINC000949866248 613709898 /nfs/dbraw/zinc/70/98/98/613709898.db2.gz LUFRLCKCUZXXQE-UHFFFAOYSA-N 1 2 275.352 0.963 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2ncc3cccnc32)CC1 ZINC000949354325 613709995 /nfs/dbraw/zinc/70/99/95/613709995.db2.gz WBWAYIVFVANHMF-UHFFFAOYSA-N 1 2 285.351 0.762 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000957617816 613716987 /nfs/dbraw/zinc/71/69/87/613716987.db2.gz IYAHMPRLDDQAJW-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC000957741241 613717739 /nfs/dbraw/zinc/71/77/39/613717739.db2.gz DAFJUXUIAMMMLT-UHFFFAOYSA-N 1 2 274.324 0.124 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cccnn23)CC1 ZINC000951551058 613718189 /nfs/dbraw/zinc/71/81/89/613718189.db2.gz ZMBQIEMMHJFONY-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000972675556 613724172 /nfs/dbraw/zinc/72/41/72/613724172.db2.gz ZCPYKMOUTHKVGG-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000972675556 613724173 /nfs/dbraw/zinc/72/41/73/613724173.db2.gz ZCPYKMOUTHKVGG-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000972492988 613725959 /nfs/dbraw/zinc/72/59/59/613725959.db2.gz UGKIAJBLWWQKAY-CQSZACIVSA-N 1 2 291.355 0.216 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000972492988 613725962 /nfs/dbraw/zinc/72/59/62/613725962.db2.gz UGKIAJBLWWQKAY-CQSZACIVSA-N 1 2 291.355 0.216 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972287859 613727784 /nfs/dbraw/zinc/72/77/84/613727784.db2.gz AVLGVJQHGPZYOT-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972287859 613727786 /nfs/dbraw/zinc/72/77/86/613727786.db2.gz AVLGVJQHGPZYOT-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC000907958563 613737730 /nfs/dbraw/zinc/73/77/30/613737730.db2.gz GTEWYIJNIMZLGF-LLVKDONJSA-N 1 2 262.313 0.198 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014320 613795704 /nfs/dbraw/zinc/79/57/04/613795704.db2.gz FAUJUINTQHZHEO-UONOGXRCSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014320 613795706 /nfs/dbraw/zinc/79/57/06/613795706.db2.gz FAUJUINTQHZHEO-UONOGXRCSA-N 1 2 295.383 0.268 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932367290 613850121 /nfs/dbraw/zinc/85/01/21/613850121.db2.gz NKDMPFIMQHFWRK-LBPRGKRZSA-N 1 2 289.339 0.529 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@@H]1CCOC1 ZINC000884087247 613877456 /nfs/dbraw/zinc/87/74/56/613877456.db2.gz WMIOZCFZFKKSBW-RYUDHWBXSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000884415848 613877824 /nfs/dbraw/zinc/87/78/24/613877824.db2.gz JLWWGRNFYQGRGD-GWCFXTLKSA-N 1 2 265.313 0.195 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H]1C ZINC000884170202 613877843 /nfs/dbraw/zinc/87/78/43/613877843.db2.gz SCUWEPFKHRCHHC-DCAQKATOSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000884434990 613877893 /nfs/dbraw/zinc/87/78/93/613877893.db2.gz GBRHMXJKKCGPGN-SDDRHHMPSA-N 1 2 282.340 0.213 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000884104519 613878012 /nfs/dbraw/zinc/87/80/12/613878012.db2.gz OBLXLUSWJBBHSJ-TUAOUCFPSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000884331876 613878457 /nfs/dbraw/zinc/87/84/57/613878457.db2.gz ZJEBFGWRMLOAGA-TUAOUCFPSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000884439953 613878509 /nfs/dbraw/zinc/87/85/09/613878509.db2.gz UWBWMHCXOSZAFY-SDDRHHMPSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCONC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000838707353 613884293 /nfs/dbraw/zinc/88/42/93/613884293.db2.gz IREUDUWNGOXLBT-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000880589809 614183596 /nfs/dbraw/zinc/18/35/96/614183596.db2.gz FMHSNBYINSSIFO-NSHDSACASA-N 1 2 280.372 0.381 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000880589809 614183597 /nfs/dbraw/zinc/18/35/97/614183597.db2.gz FMHSNBYINSSIFO-NSHDSACASA-N 1 2 280.372 0.381 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cncc(C#N)c2)CC1 ZINC000929803961 614312738 /nfs/dbraw/zinc/31/27/38/614312738.db2.gz HDBBIKDSXBTCTE-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)[C@]2(C#N)CCCOC2)CCO1 ZINC000865095527 614656566 /nfs/dbraw/zinc/65/65/66/614656566.db2.gz VWSCRXLCLKFYTH-HNNXBMFYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)[C@]2(C#N)CCCOC2)CCO1 ZINC000865095527 614656567 /nfs/dbraw/zinc/65/65/67/614656567.db2.gz VWSCRXLCLKFYTH-HNNXBMFYSA-N 1 2 295.383 0.534 20 30 CCEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCO)C1 ZINC000949854433 614707918 /nfs/dbraw/zinc/70/79/18/614707918.db2.gz OKSPVLRDBYEOPC-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474088 615173499 /nfs/dbraw/zinc/17/34/99/615173499.db2.gz NABAWEHYJXKSMP-NWDGAFQWSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474088 615173500 /nfs/dbraw/zinc/17/35/00/615173500.db2.gz NABAWEHYJXKSMP-NWDGAFQWSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[C@@H](C#N)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923776054 615366798 /nfs/dbraw/zinc/36/67/98/615366798.db2.gz WNTAGIOYZHESCP-XQQFMLRXSA-N 1 2 282.340 0.712 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)cnn1 ZINC000895801197 615480317 /nfs/dbraw/zinc/48/03/17/615480317.db2.gz MRUOGXTUAYDDIA-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CCn1c[nH+]cc1CN1CCN(C(=O)CC#N)CC1 ZINC000895067089 615630630 /nfs/dbraw/zinc/63/06/30/615630630.db2.gz PKGSOHHIKWAEGN-UHFFFAOYSA-N 1 2 261.329 0.461 20 30 CCEDLO C[N@@H+](CC(=O)NCc1cccs1)C[C@H](O)CC#N ZINC000929632873 616048220 /nfs/dbraw/zinc/04/82/20/616048220.db2.gz ZCSKOGRSGPBPHQ-SNVBAGLBSA-N 1 2 267.354 0.571 20 30 CCEDLO C[N@H+](CC(=O)NCc1cccs1)C[C@H](O)CC#N ZINC000929632873 616048221 /nfs/dbraw/zinc/04/82/21/616048221.db2.gz ZCSKOGRSGPBPHQ-SNVBAGLBSA-N 1 2 267.354 0.571 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(C#N)c(F)c1 ZINC000877825998 616121421 /nfs/dbraw/zinc/12/14/21/616121421.db2.gz LXANKXKIHBNICF-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(C#N)c(F)c1 ZINC000877825998 616121422 /nfs/dbraw/zinc/12/14/22/616121422.db2.gz LXANKXKIHBNICF-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](CO)C1 ZINC000912739902 616229702 /nfs/dbraw/zinc/22/97/02/616229702.db2.gz JNLIZSHMAMWWEQ-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](CO)C1 ZINC000912739902 616229703 /nfs/dbraw/zinc/22/97/03/616229703.db2.gz JNLIZSHMAMWWEQ-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)C[C@H]1CO ZINC000894886526 616247751 /nfs/dbraw/zinc/24/77/51/616247751.db2.gz WFMKXVNPWFPKPG-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)C[C@H]1CO ZINC000894886526 616247752 /nfs/dbraw/zinc/24/77/52/616247752.db2.gz WFMKXVNPWFPKPG-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO COCC#CCN1CC[NH+](Cc2cncs2)CC1 ZINC000931358520 616527622 /nfs/dbraw/zinc/52/76/22/616527622.db2.gz CWPDJHTYZLOFKD-UHFFFAOYSA-N 1 2 265.382 0.911 20 30 CCEDLO COCC#CC[NH2+]C1(c2ncccn2)CCOCC1 ZINC000933339984 616528032 /nfs/dbraw/zinc/52/80/32/616528032.db2.gz RTHMNIBPBVSPTP-UHFFFAOYSA-N 1 2 261.325 0.722 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033540 616708517 /nfs/dbraw/zinc/70/85/17/616708517.db2.gz WPHOITPZGJXSRP-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033540 616708522 /nfs/dbraw/zinc/70/85/22/616708522.db2.gz WPHOITPZGJXSRP-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880559596 616787710 /nfs/dbraw/zinc/78/77/10/616787710.db2.gz HHBITOTWGYTVFR-INIZCTEOSA-N 1 2 299.330 0.921 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880559596 616787712 /nfs/dbraw/zinc/78/77/12/616787712.db2.gz HHBITOTWGYTVFR-INIZCTEOSA-N 1 2 299.330 0.921 20 30 CCEDLO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)ccc1C#N ZINC000913540001 617155701 /nfs/dbraw/zinc/15/57/01/617155701.db2.gz MKMRCSNWWFUOSC-CYBMUJFWSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)ccc1C#N ZINC000913540001 617155702 /nfs/dbraw/zinc/15/57/02/617155702.db2.gz MKMRCSNWWFUOSC-CYBMUJFWSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1C#N ZINC000821359236 617155921 /nfs/dbraw/zinc/15/59/21/617155921.db2.gz KJHLVPKWZTYMPP-UHFFFAOYSA-N 1 2 289.335 0.317 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001026430859 625447361 /nfs/dbraw/zinc/44/73/61/625447361.db2.gz BRMNAXKORSUEQI-RWMBFGLXSA-N 1 2 273.340 0.233 20 30 CCEDLO N#CCNC1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568211 625473781 /nfs/dbraw/zinc/47/37/81/625473781.db2.gz YLHXOZAJABKCCG-UHFFFAOYSA-N 1 2 261.329 0.493 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008518294 625521806 /nfs/dbraw/zinc/52/18/06/625521806.db2.gz NIMDAQRHSLSCHW-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008518294 625521813 /nfs/dbraw/zinc/52/18/13/625521813.db2.gz NIMDAQRHSLSCHW-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567367 622755621 /nfs/dbraw/zinc/75/56/21/622755621.db2.gz PZGLRTLSGBXCJE-MGPQQGTHSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567367 622755633 /nfs/dbraw/zinc/75/56/33/622755633.db2.gz PZGLRTLSGBXCJE-MGPQQGTHSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567366 622756472 /nfs/dbraw/zinc/75/64/72/622756472.db2.gz PZGLRTLSGBXCJE-MCIONIFRSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567366 622756477 /nfs/dbraw/zinc/75/64/77/622756477.db2.gz PZGLRTLSGBXCJE-MCIONIFRSA-N 1 2 294.326 0.703 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 ZINC000972465807 622854531 /nfs/dbraw/zinc/85/45/31/622854531.db2.gz LZIFJMMZOXTGBK-HNNXBMFYSA-N 1 2 291.326 0.704 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 ZINC000972465807 622854534 /nfs/dbraw/zinc/85/45/34/622854534.db2.gz LZIFJMMZOXTGBK-HNNXBMFYSA-N 1 2 291.326 0.704 20 30 CCEDLO C[C@@H]1CCN(C(=O)NCC#CCO)C[C@H]1n1cc[nH+]c1 ZINC000923776228 623327276 /nfs/dbraw/zinc/32/72/76/623327276.db2.gz PSNBOPOIINFPPA-CHWSQXEVSA-N 1 2 276.340 0.471 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024662479 623411806 /nfs/dbraw/zinc/41/18/06/623411806.db2.gz YLLIUIZOICJEAC-XQQFMLRXSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024662479 623411810 /nfs/dbraw/zinc/41/18/10/623411810.db2.gz YLLIUIZOICJEAC-XQQFMLRXSA-N 1 2 295.383 0.034 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCCc1[nH]cc[nH+]1 ZINC000178173488 623528208 /nfs/dbraw/zinc/52/82/08/623528208.db2.gz BDOBIBNIMBPANE-UHFFFAOYSA-N 1 2 283.287 0.849 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007405409 623630764 /nfs/dbraw/zinc/63/07/64/623630764.db2.gz AWWDOSOWJQZPSH-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007405409 623630767 /nfs/dbraw/zinc/63/07/67/623630767.db2.gz AWWDOSOWJQZPSH-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001020907477 624623732 /nfs/dbraw/zinc/62/37/32/624623732.db2.gz CPFQUXNZRCMGDU-HAQNSBGRSA-N 1 2 298.350 0.294 20 30 CCEDLO O=C(NCC#C[C@@H]1CCCCO1)NCCn1cc[nH+]c1 ZINC000891558927 624885104 /nfs/dbraw/zinc/88/51/04/624885104.db2.gz YUWMFFAVKACQTE-ZDUSSCGKSA-N 1 2 276.340 0.755 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000084505663 624904338 /nfs/dbraw/zinc/90/43/38/624904338.db2.gz GYWBRDZNWIYXIK-UHFFFAOYSA-N 1 2 279.340 0.671 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H]3CO)C2=O)cc1 ZINC000934022331 625004721 /nfs/dbraw/zinc/00/47/21/625004721.db2.gz LJVPCNYAXGPRCC-UONOGXRCSA-N 1 2 271.320 0.730 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H]3CO)C2=O)cc1 ZINC000934022331 625004722 /nfs/dbraw/zinc/00/47/22/625004722.db2.gz LJVPCNYAXGPRCC-UONOGXRCSA-N 1 2 271.320 0.730 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(C#CCO)c2)c1 ZINC000313249364 625760912 /nfs/dbraw/zinc/76/09/12/625760912.db2.gz IDMMCDZPNQOZNY-UHFFFAOYSA-N 1 2 283.331 0.736 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387778 625863787 /nfs/dbraw/zinc/86/37/87/625863787.db2.gz DITXOCBTFMBUIQ-LBPRGKRZSA-N 1 2 275.356 0.789 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978402464 630806781 /nfs/dbraw/zinc/80/67/81/630806781.db2.gz DSUVWVAQEQJQTE-XDQVBPFNSA-N 1 2 299.378 0.263 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792225 630922218 /nfs/dbraw/zinc/92/22/18/630922218.db2.gz LYVZDBRZXJXBNH-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792225 630922222 /nfs/dbraw/zinc/92/22/22/630922222.db2.gz LYVZDBRZXJXBNH-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027798718 630930264 /nfs/dbraw/zinc/93/02/64/630930264.db2.gz OFJRZAQURQBERM-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027798718 630930268 /nfs/dbraw/zinc/93/02/68/630930268.db2.gz OFJRZAQURQBERM-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980838316 631066668 /nfs/dbraw/zinc/06/66/68/631066668.db2.gz MOHVGKILDARQTQ-NWDGAFQWSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980838316 631066673 /nfs/dbraw/zinc/06/66/73/631066673.db2.gz MOHVGKILDARQTQ-NWDGAFQWSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000968128097 650007973 /nfs/dbraw/zinc/00/79/73/650007973.db2.gz GFDDKWQLUGNTRY-UKRRQHHQSA-N 1 2 299.374 0.350 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000968128097 650007974 /nfs/dbraw/zinc/00/79/74/650007974.db2.gz GFDDKWQLUGNTRY-UKRRQHHQSA-N 1 2 299.374 0.350 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967941950 650005660 /nfs/dbraw/zinc/00/56/60/650005660.db2.gz BBUFHAJUQKQXLT-PSASIEDQSA-N 1 2 263.301 0.228 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000968471741 650016213 /nfs/dbraw/zinc/01/62/13/650016213.db2.gz KCCGMKMTFRWQLU-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000895065885 631916953 /nfs/dbraw/zinc/91/69/53/631916953.db2.gz FZYBYFKRFKMDAK-UHFFFAOYSA-N 1 2 260.297 0.345 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@@]2(CO)COCC[N@H+]2C)n1 ZINC000895610152 632109300 /nfs/dbraw/zinc/10/93/00/632109300.db2.gz PWLGYYVAMXIDJB-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@@]2(CO)COCC[N@@H+]2C)n1 ZINC000895610152 632109303 /nfs/dbraw/zinc/10/93/03/632109303.db2.gz PWLGYYVAMXIDJB-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008283444 650108707 /nfs/dbraw/zinc/10/87/07/650108707.db2.gz MNWWVYHNGOSVCD-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008283444 650108709 /nfs/dbraw/zinc/10/87/09/650108709.db2.gz MNWWVYHNGOSVCD-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001008307888 650109644 /nfs/dbraw/zinc/10/96/44/650109644.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 1 2 295.427 0.862 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001008307888 650109647 /nfs/dbraw/zinc/10/96/47/650109647.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 1 2 295.427 0.862 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2conc2COC)CC1 ZINC000989462937 633303398 /nfs/dbraw/zinc/30/33/98/633303398.db2.gz QSOGXKFWNFJAPX-UHFFFAOYSA-N 1 2 291.351 0.992 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2conc2COC)CC1 ZINC000989462937 633303401 /nfs/dbraw/zinc/30/34/01/633303401.db2.gz QSOGXKFWNFJAPX-UHFFFAOYSA-N 1 2 291.351 0.992 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(CC#N)C3)ccn12 ZINC001014419622 633337566 /nfs/dbraw/zinc/33/75/66/633337566.db2.gz DJSXAQKTYGKNHM-CYBMUJFWSA-N 1 2 283.335 0.970 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(C#N)cs1 ZINC000898886524 633683031 /nfs/dbraw/zinc/68/30/31/633683031.db2.gz FISGYXZDCVZJPZ-VIFPVBQESA-N 1 2 276.321 0.817 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@@H]2CCOC2)nn1 ZINC000899736188 633879583 /nfs/dbraw/zinc/87/95/83/633879583.db2.gz WWYOXPFPDIQQAQ-CYBMUJFWSA-N 1 2 264.329 0.197 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901310727 634224846 /nfs/dbraw/zinc/22/48/46/634224846.db2.gz ODOZFTYZRBYBHX-ILWJIGKKSA-N 1 2 279.344 0.947 20 30 CCEDLO C[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905727303 634903769 /nfs/dbraw/zinc/90/37/69/634903769.db2.gz CIMGHMZYGZAZFO-UPJWGTAASA-N 1 2 281.356 0.237 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCCN(O)C2=O)c[nH+]1 ZINC000908406452 635368071 /nfs/dbraw/zinc/36/80/71/635368071.db2.gz RCHHSIUUPSGMNL-JTQLQIEISA-N 1 2 280.328 0.423 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912737163 636661377 /nfs/dbraw/zinc/66/13/77/636661377.db2.gz HNYYBRGWGZSNOS-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912737163 636661379 /nfs/dbraw/zinc/66/13/79/636661379.db2.gz HNYYBRGWGZSNOS-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)CC[NH2+]2)cn1 ZINC000913473708 636821577 /nfs/dbraw/zinc/82/15/77/636821577.db2.gz CQVCAKJZNWSGPW-CYBMUJFWSA-N 1 2 299.378 0.977 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@]12CCC[C@H]1N(CC#N)CC2 ZINC000992436516 637408001 /nfs/dbraw/zinc/40/80/01/637408001.db2.gz WMMKKQNBEQTHLI-UKRRQHHQSA-N 1 2 287.367 0.599 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC000993356791 637794951 /nfs/dbraw/zinc/79/49/51/637794951.db2.gz XCUFWQMHDWZXEB-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC000993356791 637794962 /nfs/dbraw/zinc/79/49/62/637794962.db2.gz XCUFWQMHDWZXEB-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015701645 637871337 /nfs/dbraw/zinc/87/13/37/637871337.db2.gz RVSWHPDMHLRXJH-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015701645 637871341 /nfs/dbraw/zinc/87/13/41/637871341.db2.gz RVSWHPDMHLRXJH-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754895 638831398 /nfs/dbraw/zinc/83/13/98/638831398.db2.gz DJNFIENHXBSWRO-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NCC#N)CC1 ZINC000997014943 638848691 /nfs/dbraw/zinc/84/86/91/638848691.db2.gz FHCYQCXRPMFDRB-CHWSQXEVSA-N 1 2 287.367 0.628 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014459344 650453772 /nfs/dbraw/zinc/45/37/72/650453772.db2.gz HYJRPWZXGSVOAZ-ADEWGFFLSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014459344 650453773 /nfs/dbraw/zinc/45/37/73/650453773.db2.gz HYJRPWZXGSVOAZ-ADEWGFFLSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000999291351 638971870 /nfs/dbraw/zinc/97/18/70/638971870.db2.gz QWCCFGXLNPARFS-UHFFFAOYSA-N 1 2 288.351 0.566 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000766 650513599 /nfs/dbraw/zinc/51/35/99/650513599.db2.gz RIIPRNYIJGPUQJ-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001015493233 650573184 /nfs/dbraw/zinc/57/31/84/650573184.db2.gz NSNNVYFGQPYGOK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001015493233 650573186 /nfs/dbraw/zinc/57/31/86/650573186.db2.gz NSNNVYFGQPYGOK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Br)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804184201 640760147 /nfs/dbraw/zinc/76/01/47/640760147.db2.gz OYILGNJDJWRCQX-QMMMGPOBSA-N 1 2 299.128 0.781 20 30 CCEDLO C=C(Br)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804184201 640760154 /nfs/dbraw/zinc/76/01/54/640760154.db2.gz OYILGNJDJWRCQX-QMMMGPOBSA-N 1 2 299.128 0.781 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000806844184 640802896 /nfs/dbraw/zinc/80/28/96/640802896.db2.gz WEIKTNHTWHXZFT-ZDUSSCGKSA-N 1 2 273.340 0.161 20 30 CCEDLO Nc1nc(Cl)c(C=[NH+]NCCO)c(N2CCCC2)n1 ZINC000814943076 641083748 /nfs/dbraw/zinc/08/37/48/641083748.db2.gz DANAULCYMKPSGB-UHFFFAOYSA-N 1 2 284.751 0.228 20 30 CCEDLO Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)c(C#N)cn1 ZINC000819909943 641438988 /nfs/dbraw/zinc/43/89/88/641438988.db2.gz DRMXFIOKENLVDX-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)c(C#N)cn1 ZINC000819909943 641438989 /nfs/dbraw/zinc/43/89/89/641438989.db2.gz DRMXFIOKENLVDX-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000827384374 642003890 /nfs/dbraw/zinc/00/38/90/642003890.db2.gz QVDIUHDMONMBEQ-BFHYXJOUSA-N 1 2 299.378 0.722 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCCC1CCCCC1 ZINC000121363567 642015874 /nfs/dbraw/zinc/01/58/74/642015874.db2.gz CVOABUOIKWQYCX-UHFFFAOYSA-N 1 2 271.361 0.744 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]n1 ZINC001017328966 650794646 /nfs/dbraw/zinc/79/46/46/650794646.db2.gz CVNPYZMTPHUIIS-TXEJJXNPSA-N 1 2 286.335 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]n1 ZINC001017328966 650794652 /nfs/dbraw/zinc/79/46/52/650794652.db2.gz CVNPYZMTPHUIIS-TXEJJXNPSA-N 1 2 286.335 0.494 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001017408301 650800049 /nfs/dbraw/zinc/80/00/49/650800049.db2.gz AMSBPSNELBMECS-RFQIPJPRSA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001017408301 650800050 /nfs/dbraw/zinc/80/00/50/650800050.db2.gz AMSBPSNELBMECS-RFQIPJPRSA-N 1 2 290.363 0.494 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1COC(=O)C1 ZINC001017476655 650804784 /nfs/dbraw/zinc/80/47/84/650804784.db2.gz SZDQEGUDBYOFCP-UPJWGTAASA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1COC(=O)C1 ZINC001017476655 650804787 /nfs/dbraw/zinc/80/47/87/650804787.db2.gz SZDQEGUDBYOFCP-UPJWGTAASA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]cc2c1 ZINC001017650606 650816149 /nfs/dbraw/zinc/81/61/49/650816149.db2.gz SSAHOACGADZHPB-OKILXGFUSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]cc2c1 ZINC001017650606 650816152 /nfs/dbraw/zinc/81/61/52/650816152.db2.gz SSAHOACGADZHPB-OKILXGFUSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CO1 ZINC001017755166 650819754 /nfs/dbraw/zinc/81/97/54/650819754.db2.gz XGTIAKCCNKAANF-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CO1 ZINC001017755166 650819756 /nfs/dbraw/zinc/81/97/56/650819756.db2.gz XGTIAKCCNKAANF-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)n1cc[nH+]c1 ZINC000845443686 643315830 /nfs/dbraw/zinc/31/58/30/643315830.db2.gz ZQWZEJOBCFZNRY-MWLCHTKSSA-N 1 2 260.297 0.822 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC(=O)N1 ZINC001017906876 650834212 /nfs/dbraw/zinc/83/42/12/650834212.db2.gz FLDZWJGSSGHMOS-ZENOOKHLSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC(=O)N1 ZINC001017906876 650834214 /nfs/dbraw/zinc/83/42/14/650834214.db2.gz FLDZWJGSSGHMOS-ZENOOKHLSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nonc1C ZINC001018123622 650844922 /nfs/dbraw/zinc/84/49/22/650844922.db2.gz CLWVKDTXWATCLU-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nonc1C ZINC001018123622 650844926 /nfs/dbraw/zinc/84/49/26/650844926.db2.gz CLWVKDTXWATCLU-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000847483928 643523981 /nfs/dbraw/zinc/52/39/81/643523981.db2.gz JCHPISYIMVEFTR-BXUZGUMPSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000847483928 643523988 /nfs/dbraw/zinc/52/39/88/643523988.db2.gz JCHPISYIMVEFTR-BXUZGUMPSA-N 1 2 287.367 0.787 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCCC1=O ZINC001018280574 650851138 /nfs/dbraw/zinc/85/11/38/650851138.db2.gz OQYJJACQEAAIPL-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCCC1=O ZINC001018280574 650851139 /nfs/dbraw/zinc/85/11/39/650851139.db2.gz OQYJJACQEAAIPL-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n(C)n1 ZINC001018343766 650854126 /nfs/dbraw/zinc/85/41/26/650854126.db2.gz ZNEQOEWVWVVOEN-OKILXGFUSA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n(C)n1 ZINC001018343766 650854128 /nfs/dbraw/zinc/85/41/28/650854128.db2.gz ZNEQOEWVWVVOEN-OKILXGFUSA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCCCCO)nn1 ZINC000849146831 643713323 /nfs/dbraw/zinc/71/33/23/643713323.db2.gz XJUWPMCNBNPFFS-UHFFFAOYSA-N 1 2 250.346 0.944 20 30 CCEDLO C=CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H](C)COC ZINC000852901640 644050817 /nfs/dbraw/zinc/05/08/17/644050817.db2.gz MLVISUSTANALIK-JTQLQIEISA-N 1 2 278.356 0.719 20 30 CCEDLO Cc1[nH+]cc(C=NNCC(C)(C)S(C)(=O)=O)n1C ZINC000853335259 644099846 /nfs/dbraw/zinc/09/98/46/644099846.db2.gz NSODMUAZWNUBQT-UHFFFAOYSA-N 1 2 272.374 0.475 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@](C)(C#N)C2)C1 ZINC000853596558 644126601 /nfs/dbraw/zinc/12/66/01/644126601.db2.gz IZTLBJUGKPTIAZ-SWLSCSKDSA-N 1 2 287.367 0.929 20 30 CCEDLO N#Cc1c2c(cn(C[N@@H+]3CCC4(COC4)C3)c1=O)CCC2 ZINC000853598726 644126914 /nfs/dbraw/zinc/12/69/14/644126914.db2.gz XCYPJHAITQJLSY-UHFFFAOYSA-N 1 2 285.347 0.888 20 30 CCEDLO N#Cc1c2c(cn(C[N@H+]3CCC4(COC4)C3)c1=O)CCC2 ZINC000853598726 644126917 /nfs/dbraw/zinc/12/69/17/644126917.db2.gz XCYPJHAITQJLSY-UHFFFAOYSA-N 1 2 285.347 0.888 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857886684 644571787 /nfs/dbraw/zinc/57/17/87/644571787.db2.gz HUTPMYPDNLFCPU-OCCSQVGLSA-N 1 2 282.303 0.529 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NCC#N)C1 ZINC001019493960 650978176 /nfs/dbraw/zinc/97/81/76/650978176.db2.gz TYRUEPWUVBZTPA-QWRGUYRKSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NCC#N)C1 ZINC001019493960 650978178 /nfs/dbraw/zinc/97/81/78/650978178.db2.gz TYRUEPWUVBZTPA-QWRGUYRKSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000864885438 645300679 /nfs/dbraw/zinc/30/06/79/645300679.db2.gz XXKPIXGLOUNSMV-WCQYABFASA-N 1 2 262.313 0.708 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498582 647067310 /nfs/dbraw/zinc/06/73/10/647067310.db2.gz WZYNCXVSWKIXPX-CQSZACIVSA-N 1 2 299.378 0.896 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498582 647067314 /nfs/dbraw/zinc/06/73/14/647067314.db2.gz WZYNCXVSWKIXPX-CQSZACIVSA-N 1 2 299.378 0.896 20 30 CCEDLO Cn1nnnc1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000879916055 647127138 /nfs/dbraw/zinc/12/71/38/647127138.db2.gz WAUYOWSZOKUUSX-LLVKDONJSA-N 1 2 273.344 0.833 20 30 CCEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)CCO ZINC000136066942 647867276 /nfs/dbraw/zinc/86/72/76/647867276.db2.gz IFBVHEMZPBOVCW-VHSXEESVSA-N 1 2 257.334 0.353 20 30 CCEDLO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ncn(C)n1 ZINC000886157802 647909566 /nfs/dbraw/zinc/90/95/66/647909566.db2.gz LGQUHWUQCVBWJE-QWRGUYRKSA-N 1 2 263.345 0.911 20 30 CCEDLO C[C@H]([NH2+]CCN1CCNC1=O)c1cccc(C#N)c1O ZINC000886746901 648008539 /nfs/dbraw/zinc/00/85/39/648008539.db2.gz FRAKCRQCQHIHHS-JTQLQIEISA-N 1 2 274.324 0.940 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000887673019 648138234 /nfs/dbraw/zinc/13/82/34/648138234.db2.gz MUZVWJDIXGSAFA-SMDDNHRTSA-N 1 2 274.324 0.587 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000887686909 648142461 /nfs/dbraw/zinc/14/24/61/648142461.db2.gz RBRSWQXVSHQTLQ-SMDDNHRTSA-N 1 2 274.324 0.587 20 30 CCEDLO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000929772202 648789161 /nfs/dbraw/zinc/78/91/61/648789161.db2.gz DRFAIWHMGIRYRT-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000929772202 648789166 /nfs/dbraw/zinc/78/91/66/648789166.db2.gz DRFAIWHMGIRYRT-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000930540041 648873396 /nfs/dbraw/zinc/87/33/96/648873396.db2.gz CVTWPQTYXDUPRF-NSHDSACASA-N 1 2 262.269 0.683 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000930540041 648873400 /nfs/dbraw/zinc/87/34/00/648873400.db2.gz CVTWPQTYXDUPRF-NSHDSACASA-N 1 2 262.269 0.683 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@H+](CCOCCO)CCO2)cc1 ZINC000933626650 649131132 /nfs/dbraw/zinc/13/11/32/649131132.db2.gz FDHZTZKYLNZZFR-HNNXBMFYSA-N 1 2 276.336 0.940 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCOCCO)CCO2)cc1 ZINC000933626650 649131133 /nfs/dbraw/zinc/13/11/33/649131133.db2.gz FDHZTZKYLNZZFR-HNNXBMFYSA-N 1 2 276.336 0.940 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000934512401 649177840 /nfs/dbraw/zinc/17/78/40/649177840.db2.gz MFOCILDWRMWTMC-LBPRGKRZSA-N 1 2 271.382 0.414 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000934512401 649177843 /nfs/dbraw/zinc/17/78/43/649177843.db2.gz MFOCILDWRMWTMC-LBPRGKRZSA-N 1 2 271.382 0.414 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000934515841 649177875 /nfs/dbraw/zinc/17/78/75/649177875.db2.gz ZCEKFIZKXDEIRK-GFCCVEGCSA-N 1 2 280.368 0.932 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000934515841 649177877 /nfs/dbraw/zinc/17/78/77/649177877.db2.gz ZCEKFIZKXDEIRK-GFCCVEGCSA-N 1 2 280.368 0.932 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(CC#N)[C@H](C)C1 ZINC000947975142 649357487 /nfs/dbraw/zinc/35/74/87/649357487.db2.gz KLSYQFGHHWDAIS-PWSUYJOCSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@H]1CN(C(=O)CO[NH+]=C(N)c2ccccc2)CCO1 ZINC000078346473 649472968 /nfs/dbraw/zinc/47/29/68/649472968.db2.gz LIOPVHNMFKNEMZ-NSHDSACASA-N 1 2 277.324 0.571 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561511 649682028 /nfs/dbraw/zinc/68/20/28/649682028.db2.gz AOKIRZMHBKSRIU-LBPRGKRZSA-N 1 2 281.356 0.586 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561511 649682031 /nfs/dbraw/zinc/68/20/31/649682031.db2.gz AOKIRZMHBKSRIU-LBPRGKRZSA-N 1 2 281.356 0.586 20 30 CCEDLO C=CC[NH+]1CCN(c2ncc(C#N)c(OC)n2)CC1 ZINC001165031929 721865342 /nfs/dbraw/zinc/86/53/42/721865342.db2.gz ZVVUNOCFQOJYMS-UHFFFAOYSA-N 1 2 259.313 0.665 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CNC4=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230044803 805578663 /nfs/dbraw/zinc/57/86/63/805578663.db2.gz PRTHFNUESQTVTG-GAAPNJIFSA-N 1 2 286.331 0.921 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CNC4=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230044803 805578664 /nfs/dbraw/zinc/57/86/64/805578664.db2.gz PRTHFNUESQTVTG-GAAPNJIFSA-N 1 2 286.331 0.921 20 30 CCEDLO COC(=O)c1[nH]ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230505842 805608746 /nfs/dbraw/zinc/60/87/46/805608746.db2.gz ZHAXUFHFGCRYEF-UHSPONAGSA-N 1 2 278.308 0.793 20 30 CCEDLO COC(=O)c1[nH]ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230505842 805608749 /nfs/dbraw/zinc/60/87/49/805608749.db2.gz ZHAXUFHFGCRYEF-UHSPONAGSA-N 1 2 278.308 0.793 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526762 805609419 /nfs/dbraw/zinc/60/94/19/805609419.db2.gz HAJGJMXOBDDYFE-JQWIXIFHSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526762 805609423 /nfs/dbraw/zinc/60/94/23/805609423.db2.gz HAJGJMXOBDDYFE-JQWIXIFHSA-N 1 2 253.346 0.230 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC001266696859 791152158 /nfs/dbraw/zinc/15/21/58/791152158.db2.gz UUSNRVVJMYKCOE-LBPRGKRZSA-N 1 2 279.340 0.569 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230556104 805621887 /nfs/dbraw/zinc/62/18/87/805621887.db2.gz CXPKOAAMSUTXAT-DGCLKSJQSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230556104 805621894 /nfs/dbraw/zinc/62/18/94/805621894.db2.gz CXPKOAAMSUTXAT-DGCLKSJQSA-N 1 2 277.368 0.067 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001039024037 790398724 /nfs/dbraw/zinc/39/87/24/790398724.db2.gz PEVXMCDYNJYBRE-CYBMUJFWSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001039024037 790398737 /nfs/dbraw/zinc/39/87/37/790398737.db2.gz PEVXMCDYNJYBRE-CYBMUJFWSA-N 1 2 286.335 0.008 20 30 CCEDLO CCC[C@H](OCC)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266290324 790427203 /nfs/dbraw/zinc/42/72/03/790427203.db2.gz VMOHISYKYXASRO-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266301830 790466077 /nfs/dbraw/zinc/46/60/77/790466077.db2.gz DEFRNTVVMRGXFT-GFCCVEGCSA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266301830 790466083 /nfs/dbraw/zinc/46/60/83/790466083.db2.gz DEFRNTVVMRGXFT-GFCCVEGCSA-N 1 2 294.380 0.930 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001038035711 790499198 /nfs/dbraw/zinc/49/91/98/790499198.db2.gz MPGRALCQVSJWQI-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001038035711 790499207 /nfs/dbraw/zinc/49/92/07/790499207.db2.gz MPGRALCQVSJWQI-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)C ZINC001266332513 790525149 /nfs/dbraw/zinc/52/51/49/790525149.db2.gz PPDNNEHWTWPUAM-LBPRGKRZSA-N 1 2 267.373 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)C ZINC001266332513 790525158 /nfs/dbraw/zinc/52/51/58/790525158.db2.gz PPDNNEHWTWPUAM-LBPRGKRZSA-N 1 2 267.373 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC#CC)C1 ZINC001266336655 790536261 /nfs/dbraw/zinc/53/62/61/790536261.db2.gz STBAAPPKQVVWMQ-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC#CC)C1 ZINC001266336655 790536269 /nfs/dbraw/zinc/53/62/69/790536269.db2.gz STBAAPPKQVVWMQ-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001167226339 790711859 /nfs/dbraw/zinc/71/18/59/790711859.db2.gz HWGYJOHCDCJTFL-LBPRGKRZSA-N 1 2 272.308 0.195 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001266449835 790731260 /nfs/dbraw/zinc/73/12/60/790731260.db2.gz DHUXEWULQCRXSU-ZDUSSCGKSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001266449835 790731266 /nfs/dbraw/zinc/73/12/66/790731266.db2.gz DHUXEWULQCRXSU-ZDUSSCGKSA-N 1 2 277.372 0.862 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C ZINC001266475726 790770840 /nfs/dbraw/zinc/77/08/40/790770840.db2.gz KDJDIXQOOXLDBQ-KBXIAJHMSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C ZINC001266475726 790770848 /nfs/dbraw/zinc/77/08/48/790770848.db2.gz KDJDIXQOOXLDBQ-KBXIAJHMSA-N 1 2 276.380 0.967 20 30 CCEDLO CC1(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)CCC1 ZINC001266477244 790773197 /nfs/dbraw/zinc/77/31/97/790773197.db2.gz MASQWFQVQUJEQJ-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)CCC1 ZINC001266477244 790773204 /nfs/dbraw/zinc/77/32/04/790773204.db2.gz MASQWFQVQUJEQJ-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnnc3)[C@H]2C1 ZINC001083204427 790907167 /nfs/dbraw/zinc/90/71/67/790907167.db2.gz PJABBMVADKMBQU-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnnc3)[C@H]2C1 ZINC001083204427 790907174 /nfs/dbraw/zinc/90/71/74/790907174.db2.gz PJABBMVADKMBQU-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231026213 805711459 /nfs/dbraw/zinc/71/14/59/805711459.db2.gz MWBVAWOSSUZHKR-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231026213 805711463 /nfs/dbraw/zinc/71/14/63/805711463.db2.gz MWBVAWOSSUZHKR-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231123425 805734508 /nfs/dbraw/zinc/73/45/08/805734508.db2.gz TYRXYQLFBWXLAB-UONOGXRCSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231123425 805734514 /nfs/dbraw/zinc/73/45/14/805734514.db2.gz TYRXYQLFBWXLAB-UONOGXRCSA-N 1 2 291.395 0.623 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247593 805759238 /nfs/dbraw/zinc/75/92/38/805759238.db2.gz PIBGDLAHAFYOJM-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247593 805759245 /nfs/dbraw/zinc/75/92/45/805759245.db2.gz PIBGDLAHAFYOJM-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC001232076440 805896123 /nfs/dbraw/zinc/89/61/23/805896123.db2.gz CSFIYQKTSGCGDB-UHFFFAOYSA-N 1 2 261.325 0.552 20 30 CCEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)CO ZINC001232606730 805962492 /nfs/dbraw/zinc/96/24/92/805962492.db2.gz ZCUFVOOKXRVMSQ-GFCCVEGCSA-N 1 2 254.717 0.997 20 30 CCEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)CO ZINC001232606730 805962498 /nfs/dbraw/zinc/96/24/98/805962498.db2.gz ZCUFVOOKXRVMSQ-GFCCVEGCSA-N 1 2 254.717 0.997 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232675249 805970156 /nfs/dbraw/zinc/97/01/56/805970156.db2.gz OIJVIHNWQBEIFQ-HIFRSBDPSA-N 1 2 273.336 0.779 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232675249 805970157 /nfs/dbraw/zinc/97/01/57/805970157.db2.gz OIJVIHNWQBEIFQ-HIFRSBDPSA-N 1 2 273.336 0.779 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001232888884 805991806 /nfs/dbraw/zinc/99/18/06/805991806.db2.gz SYRRWGCCYJDVSX-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001232888884 805991841 /nfs/dbraw/zinc/99/18/41/805991841.db2.gz SYRRWGCCYJDVSX-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C(C)(C)C#N ZINC001143408279 791312254 /nfs/dbraw/zinc/31/22/54/791312254.db2.gz SJQVDFUJZMIPGG-NSHDSACASA-N 1 2 292.339 0.560 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213356827 791370687 /nfs/dbraw/zinc/37/06/87/791370687.db2.gz BPAKFLLDSHQXSL-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213356827 791370696 /nfs/dbraw/zinc/37/06/96/791370696.db2.gz BPAKFLLDSHQXSL-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001267009209 791440308 /nfs/dbraw/zinc/44/03/08/791440308.db2.gz TYZNYGGWEKSWCF-GXFFZTMASA-N 1 2 296.396 0.556 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1scnc1C ZINC001267186951 791637825 /nfs/dbraw/zinc/63/78/25/791637825.db2.gz KVLXNISEOGUMAM-UHFFFAOYSA-N 1 2 296.396 0.415 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1scnc1C ZINC001267186951 791637830 /nfs/dbraw/zinc/63/78/30/791637830.db2.gz KVLXNISEOGUMAM-UHFFFAOYSA-N 1 2 296.396 0.415 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1coc(CC)n1 ZINC001267192301 791650009 /nfs/dbraw/zinc/65/00/09/791650009.db2.gz NPTFUDDADGLUMI-UHFFFAOYSA-N 1 2 294.355 0.201 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1coc(CC)n1 ZINC001267192301 791650020 /nfs/dbraw/zinc/65/00/20/791650020.db2.gz NPTFUDDADGLUMI-UHFFFAOYSA-N 1 2 294.355 0.201 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(F)F ZINC001267215854 791685545 /nfs/dbraw/zinc/68/55/45/791685545.db2.gz OOJJLDMFSIFVLJ-UHFFFAOYSA-N 1 2 289.326 0.075 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(F)F ZINC001267215854 791685546 /nfs/dbraw/zinc/68/55/46/791685546.db2.gz OOJJLDMFSIFVLJ-UHFFFAOYSA-N 1 2 289.326 0.075 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233948260 806155754 /nfs/dbraw/zinc/15/57/54/806155754.db2.gz UEZFAPIOJDCRPM-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233948260 806155759 /nfs/dbraw/zinc/15/57/59/806155759.db2.gz UEZFAPIOJDCRPM-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1ncccn1 ZINC001234146411 806191165 /nfs/dbraw/zinc/19/11/65/806191165.db2.gz JCMJHUCHHQIARS-UHFFFAOYSA-N 1 2 293.396 0.671 20 30 CCEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1ncccn1 ZINC001234146411 806191169 /nfs/dbraw/zinc/19/11/69/806191169.db2.gz JCMJHUCHHQIARS-UHFFFAOYSA-N 1 2 293.396 0.671 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234171658 806196131 /nfs/dbraw/zinc/19/61/31/806196131.db2.gz RKTLQMVMUNIDLD-QWHCGFSZSA-N 1 2 279.384 0.442 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234171658 806196134 /nfs/dbraw/zinc/19/61/34/806196134.db2.gz RKTLQMVMUNIDLD-QWHCGFSZSA-N 1 2 279.384 0.442 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187050 806199804 /nfs/dbraw/zinc/19/98/04/806199804.db2.gz SLIMJCGPVOJNFK-OCCSQVGLSA-N 1 2 291.395 0.409 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187050 806199808 /nfs/dbraw/zinc/19/98/08/806199808.db2.gz SLIMJCGPVOJNFK-OCCSQVGLSA-N 1 2 291.395 0.409 20 30 CCEDLO CC(=O)[C@@H](C)[NH+]1CC2(CN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277890964 806305365 /nfs/dbraw/zinc/30/53/65/806305365.db2.gz XWMVZFJVXYHCLW-GFCCVEGCSA-N 1 2 286.379 0.992 20 30 CCEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(F)c1 ZINC001235650509 806482736 /nfs/dbraw/zinc/48/27/36/806482736.db2.gz FVFDGLSMANDEMJ-RNCFNFMXSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(F)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(F)c1 ZINC001235650509 806482740 /nfs/dbraw/zinc/48/27/40/806482740.db2.gz FVFDGLSMANDEMJ-RNCFNFMXSA-N 1 2 268.263 0.621 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)NCC#N ZINC001277962467 806492620 /nfs/dbraw/zinc/49/26/20/806492620.db2.gz ISMGDOKPMPKPBM-MNOVXSKESA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)NCC#N ZINC001277962467 806492623 /nfs/dbraw/zinc/49/26/23/806492623.db2.gz ISMGDOKPMPKPBM-MNOVXSKESA-N 1 2 263.345 0.548 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)nc2)CC1 ZINC001237455407 806669903 /nfs/dbraw/zinc/66/99/03/806669903.db2.gz VDFXZWDRHMOHNL-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001278127761 806707485 /nfs/dbraw/zinc/70/74/85/806707485.db2.gz DXOYOABVSVIKAG-SNVBAGLBSA-N 1 2 283.397 0.922 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123796723 799476374 /nfs/dbraw/zinc/47/63/74/799476374.db2.gz ZOMFKJASSIDKTK-OLZOCXBDSA-N 1 2 266.389 0.285 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123796723 799476375 /nfs/dbraw/zinc/47/63/75/799476375.db2.gz ZOMFKJASSIDKTK-OLZOCXBDSA-N 1 2 266.389 0.285 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001124636039 799620527 /nfs/dbraw/zinc/62/05/27/799620527.db2.gz FLHAKUIBKTWZGM-UHFFFAOYSA-N 1 2 289.339 0.195 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CC2C(=O)N=CNC2=O)CC1 ZINC001140474367 799916290 /nfs/dbraw/zinc/91/62/90/799916290.db2.gz NJLFXFMHDICNPY-UHFFFAOYSA-N 1 2 292.295 0.167 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546248 799921254 /nfs/dbraw/zinc/92/12/54/799921254.db2.gz AYDSHLQTKONBGG-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546248 799921264 /nfs/dbraw/zinc/92/12/64/799921264.db2.gz AYDSHLQTKONBGG-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC001140689375 799931889 /nfs/dbraw/zinc/93/18/89/799931889.db2.gz WJIHNTDJEHBXGH-UHFFFAOYSA-N 1 2 275.352 0.942 20 30 CCEDLO N#Cc1c(N)sc(C[NH+]2CC(C(N)=O)C2)c1Cl ZINC001141114772 799982030 /nfs/dbraw/zinc/98/20/30/799982030.db2.gz WFAMUWHSRJMBKT-UHFFFAOYSA-N 1 2 270.745 0.772 20 30 CCEDLO O=C(C#Cc1ccccc1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152490612 800530921 /nfs/dbraw/zinc/53/09/21/800530921.db2.gz UOTOQFOXCWGRFW-AWEZNQCLSA-N 1 2 269.304 0.481 20 30 CCEDLO O=C(C#Cc1ccccc1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152490612 800530925 /nfs/dbraw/zinc/53/09/25/800530925.db2.gz UOTOQFOXCWGRFW-AWEZNQCLSA-N 1 2 269.304 0.481 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001153081194 800594036 /nfs/dbraw/zinc/59/40/36/800594036.db2.gz NUASNDMEHFAKDH-UHFFFAOYSA-N 1 2 278.356 0.584 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nccc(F)c2C#N)C1 ZINC001155195913 800926645 /nfs/dbraw/zinc/92/66/45/800926645.db2.gz GRLXTGSFCAODOS-VIFPVBQESA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nccc(F)c2C#N)C1 ZINC001155195913 800926647 /nfs/dbraw/zinc/92/66/47/800926647.db2.gz GRLXTGSFCAODOS-VIFPVBQESA-N 1 2 250.277 0.835 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970992 801275672 /nfs/dbraw/zinc/27/56/72/801275672.db2.gz XOXSBTBHLJEIEQ-VIFPVBQESA-N 1 2 271.280 0.510 20 30 CCEDLO N#C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001157964031 801541792 /nfs/dbraw/zinc/54/17/92/801541792.db2.gz RTBVPUYCGQIMQH-LLVKDONJSA-N 1 2 256.265 0.487 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCCCn1cc[nH+]c1 ZINC001255020098 808308906 /nfs/dbraw/zinc/30/89/06/808308906.db2.gz XVWOFTGXAGDFKB-NSHDSACASA-N 1 2 252.318 0.773 20 30 CCEDLO Cc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)cnc1C#N ZINC001162853642 802429673 /nfs/dbraw/zinc/42/96/73/802429673.db2.gz BAOOFUXCGPYWSD-VIFPVBQESA-N 1 2 277.328 0.738 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nccc(C)c2C#N)cn1 ZINC001163411569 802553349 /nfs/dbraw/zinc/55/33/49/802553349.db2.gz IQNWCJQENGGBSB-ZDUSSCGKSA-N 1 2 299.334 0.880 20 30 CCEDLO CCC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001264367433 809644490 /nfs/dbraw/zinc/64/44/90/809644490.db2.gz YGEGSLWOCJFOBN-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO CCC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001264367433 809644494 /nfs/dbraw/zinc/64/44/94/809644494.db2.gz YGEGSLWOCJFOBN-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367309 809644747 /nfs/dbraw/zinc/64/47/47/809644747.db2.gz WEDYYMPBWISIGC-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367309 809644754 /nfs/dbraw/zinc/64/47/54/809644754.db2.gz WEDYYMPBWISIGC-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001264370824 809645497 /nfs/dbraw/zinc/64/54/97/809645497.db2.gz KXUMUPXTZQLTCV-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001264370824 809645502 /nfs/dbraw/zinc/64/55/02/809645502.db2.gz KXUMUPXTZQLTCV-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)ccc2C#N)C[NH2+]1 ZINC001164300458 802713142 /nfs/dbraw/zinc/71/31/42/802713142.db2.gz QLDXZIJLRKGHHF-IUCAKERBSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1F ZINC001164642877 802774425 /nfs/dbraw/zinc/77/44/25/802774425.db2.gz ZVQASRLWQSPBQS-QMMMGPOBSA-N 1 2 264.260 0.309 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC001205723340 803165799 /nfs/dbraw/zinc/16/57/99/803165799.db2.gz MJMSKYYZOGZALO-NXEZZACHSA-N 1 2 289.326 0.380 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC001205723340 803165805 /nfs/dbraw/zinc/16/58/05/803165805.db2.gz MJMSKYYZOGZALO-NXEZZACHSA-N 1 2 289.326 0.380 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965188 803192004 /nfs/dbraw/zinc/19/20/04/803192004.db2.gz QIACGNFQILJUEC-DGCLKSJQSA-N 1 2 289.335 0.079 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965188 803192006 /nfs/dbraw/zinc/19/20/06/803192006.db2.gz QIACGNFQILJUEC-DGCLKSJQSA-N 1 2 289.335 0.079 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCc2ccncc2)C1 ZINC001271312176 814376637 /nfs/dbraw/zinc/37/66/37/814376637.db2.gz OBKADSSPWVYEBR-UHFFFAOYSA-N 1 2 289.379 0.753 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](CC)CCC)C1 ZINC001271373090 814396071 /nfs/dbraw/zinc/39/60/71/814396071.db2.gz ALAOZHBFXQIJQQ-ZDUSSCGKSA-N 1 2 266.385 0.999 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001207684673 803437488 /nfs/dbraw/zinc/43/74/88/803437488.db2.gz RNUWFLMQZQAQNS-LLVKDONJSA-N 1 2 296.396 0.821 20 30 CCEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001208500436 803518111 /nfs/dbraw/zinc/51/81/11/803518111.db2.gz OTZASIFUGBFVGD-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001208500436 803518114 /nfs/dbraw/zinc/51/81/14/803518114.db2.gz OTZASIFUGBFVGD-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001208517524 803520278 /nfs/dbraw/zinc/52/02/78/803520278.db2.gz MCKJRXFOMNMZOA-ZYHUDNBSSA-N 1 2 296.346 0.802 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001208517524 803520282 /nfs/dbraw/zinc/52/02/82/803520282.db2.gz MCKJRXFOMNMZOA-ZYHUDNBSSA-N 1 2 296.346 0.802 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075903515 814943578 /nfs/dbraw/zinc/94/35/78/814943578.db2.gz BKWDRRLVPNXJMZ-FMCLSXCISA-N 1 2 285.351 0.569 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075903515 814943582 /nfs/dbraw/zinc/94/35/82/814943582.db2.gz BKWDRRLVPNXJMZ-FMCLSXCISA-N 1 2 285.351 0.569 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001209327913 803595602 /nfs/dbraw/zinc/59/56/02/803595602.db2.gz SJMSNHZBCDSNJS-NQBHXWOUSA-N 1 2 275.356 0.548 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001209327913 803595605 /nfs/dbraw/zinc/59/56/05/803595605.db2.gz SJMSNHZBCDSNJS-NQBHXWOUSA-N 1 2 275.356 0.548 20 30 CCEDLO CC[C@H](C#CC(=O)OC)OCC[NH+]1CCOCC1 ZINC001210224671 803642476 /nfs/dbraw/zinc/64/24/76/803642476.db2.gz CSLDSGJOSIHHPC-GFCCVEGCSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)[C@H](OC)C1 ZINC001213221875 803686936 /nfs/dbraw/zinc/68/69/36/803686936.db2.gz UAWYFRKEDITWAZ-IIAWOOMASA-N 1 2 294.395 0.664 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)[C@H](OC)C1 ZINC001213221875 803686940 /nfs/dbraw/zinc/68/69/40/803686940.db2.gz UAWYFRKEDITWAZ-IIAWOOMASA-N 1 2 294.395 0.664 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213350027 803690971 /nfs/dbraw/zinc/69/09/71/803690971.db2.gz CTGXZFKARSVBAZ-FRRDWIJNSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213350027 803690977 /nfs/dbraw/zinc/69/09/77/803690977.db2.gz CTGXZFKARSVBAZ-FRRDWIJNSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213350393 803691099 /nfs/dbraw/zinc/69/10/99/803691099.db2.gz QSWUJLAVEUKNSE-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213350393 803691103 /nfs/dbraw/zinc/69/11/03/803691103.db2.gz QSWUJLAVEUKNSE-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)OC)[C@H](OC)C1 ZINC001213407592 803693847 /nfs/dbraw/zinc/69/38/47/803693847.db2.gz SJRLBCUSGCFIBR-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)OC)[C@H](OC)C1 ZINC001213407592 803693850 /nfs/dbraw/zinc/69/38/50/803693850.db2.gz SJRLBCUSGCFIBR-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC(C)C)[C@H]2C1 ZINC001217426295 803891031 /nfs/dbraw/zinc/89/10/31/803891031.db2.gz IAWXGPIAKRDQJR-QLFBSQMISA-N 1 2 294.395 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC(C)C)[C@H]2C1 ZINC001217426295 803891039 /nfs/dbraw/zinc/89/10/39/803891039.db2.gz IAWXGPIAKRDQJR-QLFBSQMISA-N 1 2 294.395 0.592 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCC3CC3)[C@H]2C1 ZINC001217388149 803891133 /nfs/dbraw/zinc/89/11/33/803891133.db2.gz RUPGOCJRMPFNHX-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COCC3CC3)[C@H]2C1 ZINC001217388149 803891140 /nfs/dbraw/zinc/89/11/40/803891140.db2.gz RUPGOCJRMPFNHX-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3(OC)CCC3)[C@H]2C1 ZINC001217744437 803910737 /nfs/dbraw/zinc/91/07/37/803910737.db2.gz SGNAIIHZCIPYHU-UONOGXRCSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3(OC)CCC3)[C@H]2C1 ZINC001217744437 803910745 /nfs/dbraw/zinc/91/07/45/803910745.db2.gz SGNAIIHZCIPYHU-UONOGXRCSA-N 1 2 292.379 0.490 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3C)[C@H]2C1 ZINC001218449440 803958461 /nfs/dbraw/zinc/95/84/61/803958461.db2.gz YNVVVPNSAJUFET-ZQDZILKHSA-N 1 2 292.379 0.204 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3C)[C@H]2C1 ZINC001218449440 803958466 /nfs/dbraw/zinc/95/84/66/803958466.db2.gz YNVVVPNSAJUFET-ZQDZILKHSA-N 1 2 292.379 0.204 20 30 CCEDLO C#C[C@](C)(N)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218743359 804105706 /nfs/dbraw/zinc/10/57/06/804105706.db2.gz SBERUZXCNWXJSL-ZDUSSCGKSA-N 1 2 255.281 0.556 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C#N)ccc1OC ZINC001218979007 804173271 /nfs/dbraw/zinc/17/32/71/804173271.db2.gz GULPSYLNUKCTIG-VIFPVBQESA-N 1 2 277.280 0.396 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001219155958 804221717 /nfs/dbraw/zinc/22/17/17/804221717.db2.gz UWLQZVBFJVKSFW-OLZOCXBDSA-N 1 2 294.376 0.173 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001219155958 804221723 /nfs/dbraw/zinc/22/17/23/804221723.db2.gz UWLQZVBFJVKSFW-OLZOCXBDSA-N 1 2 294.376 0.173 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 ZINC001212095164 815009205 /nfs/dbraw/zinc/00/92/05/815009205.db2.gz ULSCNSREONMVIH-WXYBXBMJSA-N 1 2 295.383 0.070 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 ZINC001212095164 815009208 /nfs/dbraw/zinc/00/92/08/815009208.db2.gz ULSCNSREONMVIH-WXYBXBMJSA-N 1 2 295.383 0.070 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001220142705 804512028 /nfs/dbraw/zinc/51/20/28/804512028.db2.gz FRLGMFRCRZYADC-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001220142705 804512031 /nfs/dbraw/zinc/51/20/31/804512031.db2.gz FRLGMFRCRZYADC-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)[C@@H](O)C1 ZINC001220893648 804694563 /nfs/dbraw/zinc/69/45/63/804694563.db2.gz NAXCVFGLJMBFNH-CFVMTHIKSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)[C@@H](O)C1 ZINC001220893648 804694567 /nfs/dbraw/zinc/69/45/67/804694567.db2.gz NAXCVFGLJMBFNH-CFVMTHIKSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)[C@@H](O)C1 ZINC001221204230 804745456 /nfs/dbraw/zinc/74/54/56/804745456.db2.gz DYWZFJLOGYWAKQ-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)[C@@H](O)C1 ZINC001221204230 804745462 /nfs/dbraw/zinc/74/54/62/804745462.db2.gz DYWZFJLOGYWAKQ-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001276980601 805055203 /nfs/dbraw/zinc/05/52/03/805055203.db2.gz VGSJDRWAVCOOKJ-ZFWWWQNUSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001276980601 805055212 /nfs/dbraw/zinc/05/52/12/805055212.db2.gz VGSJDRWAVCOOKJ-ZFWWWQNUSA-N 1 2 279.384 0.361 20 30 CCEDLO C=CCCC(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001226527190 805242993 /nfs/dbraw/zinc/24/29/93/805242993.db2.gz FBOPWVLKVPPJRY-UHFFFAOYSA-N 1 2 293.371 0.155 20 30 CCEDLO C[C@@H](CC(=O)NCC1(NCC#N)CC1)n1cc[nH+]c1 ZINC001277190134 805332777 /nfs/dbraw/zinc/33/27/77/805332777.db2.gz VRUZKUTZUFCOSX-NSHDSACASA-N 1 2 261.329 0.596 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840003 805396519 /nfs/dbraw/zinc/39/65/19/805396519.db2.gz SRPXRYWCIVANBR-CHWSQXEVSA-N 1 2 275.356 0.814 20 30 CCEDLO COCC#CC[NH2+]CCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001277292075 805439432 /nfs/dbraw/zinc/43/94/32/805439432.db2.gz UYAWYXYUEHZIQK-NSHDSACASA-N 1 2 296.346 0.687 20 30 CCEDLO CN(C)c1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001229224638 805513510 /nfs/dbraw/zinc/51/35/10/805513510.db2.gz RMFGCOQCXNYTFN-GQTXGERZSA-N 1 2 276.340 0.534 20 30 CCEDLO CN(C)c1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001229224638 805513516 /nfs/dbraw/zinc/51/35/16/805513516.db2.gz RMFGCOQCXNYTFN-GQTXGERZSA-N 1 2 276.340 0.534 20 30 CCEDLO Cn1c(C[NH+]2CCN(CCC#N)CC2)cccc1=O ZINC001248807912 807526573 /nfs/dbraw/zinc/52/65/73/807526573.db2.gz KJKXCGJHFNVSST-UHFFFAOYSA-N 1 2 260.341 0.417 20 30 CCEDLO N#Cc1ccn2ncc(C[N@@H+]3CCNC(=O)CC3)c2c1 ZINC001249082213 807540493 /nfs/dbraw/zinc/54/04/93/807540493.db2.gz LENMCDHCXVCAPE-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO N#Cc1ccn2ncc(C[N@H+]3CCNC(=O)CC3)c2c1 ZINC001249082213 807540497 /nfs/dbraw/zinc/54/04/97/807540497.db2.gz LENMCDHCXVCAPE-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251001851 807634276 /nfs/dbraw/zinc/63/42/76/807634276.db2.gz QXNNQWVCIWJSCY-AWEZNQCLSA-N 1 2 275.352 0.972 20 30 CCEDLO N#Cc1cccc(F)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251024231 807644979 /nfs/dbraw/zinc/64/49/79/807644979.db2.gz QSCOKAHIMAVIBD-LBPRGKRZSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1cccc(F)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251024230 807645126 /nfs/dbraw/zinc/64/51/26/807645126.db2.gz QSCOKAHIMAVIBD-GFCCVEGCSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1c(F)ccc(F)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251034561 807649517 /nfs/dbraw/zinc/64/95/17/807649517.db2.gz RSNONOICOPPBTH-JTQLQIEISA-N 1 2 297.305 0.941 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001252472178 807884139 /nfs/dbraw/zinc/88/41/39/807884139.db2.gz PHSLYFXUKBPRQY-QWHCGFSZSA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001252472178 807884147 /nfs/dbraw/zinc/88/41/47/807884147.db2.gz PHSLYFXUKBPRQY-QWHCGFSZSA-N 1 2 287.356 0.204 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC001252559303 807910533 /nfs/dbraw/zinc/91/05/33/807910533.db2.gz VGLRIEBPWTYLHF-JQWIXIFHSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC001252559303 807910538 /nfs/dbraw/zinc/91/05/38/807910538.db2.gz VGLRIEBPWTYLHF-JQWIXIFHSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001252597877 807916729 /nfs/dbraw/zinc/91/67/29/807916729.db2.gz FYQDHHULCJTNLW-NEPJUHHUSA-N 1 2 284.356 0.067 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001252597877 807916735 /nfs/dbraw/zinc/91/67/35/807916735.db2.gz FYQDHHULCJTNLW-NEPJUHHUSA-N 1 2 284.356 0.067 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253577413 808085148 /nfs/dbraw/zinc/08/51/48/808085148.db2.gz UWSKRJXRHUDZPN-ZYHUDNBSSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253577413 808085152 /nfs/dbraw/zinc/08/51/52/808085152.db2.gz UWSKRJXRHUDZPN-ZYHUDNBSSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001253578039 808085630 /nfs/dbraw/zinc/08/56/30/808085630.db2.gz UMUYLJDCVHWBFP-GFCCVEGCSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001253578039 808085636 /nfs/dbraw/zinc/08/56/36/808085636.db2.gz UMUYLJDCVHWBFP-GFCCVEGCSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001253582341 808089799 /nfs/dbraw/zinc/08/97/99/808089799.db2.gz NYRMYEOJFPOHLI-CYBMUJFWSA-N 1 2 287.367 0.881 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001253582341 808089809 /nfs/dbraw/zinc/08/98/09/808089809.db2.gz NYRMYEOJFPOHLI-CYBMUJFWSA-N 1 2 287.367 0.881 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ncc(C#N)s1 ZINC001253707234 808124931 /nfs/dbraw/zinc/12/49/31/808124931.db2.gz XAJRAQRUYFJVPV-SECBINFHSA-N 1 2 283.353 0.807 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nncs1 ZINC001253750336 808131357 /nfs/dbraw/zinc/13/13/57/808131357.db2.gz WURKJRYFFOUFCL-UHFFFAOYSA-N 1 2 254.315 0.058 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nncs1 ZINC001253750336 808131361 /nfs/dbraw/zinc/13/13/61/808131361.db2.gz WURKJRYFFOUFCL-UHFFFAOYSA-N 1 2 254.315 0.058 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2C[C@@H](F)C[C@H]2C#N)CC1 ZINC001254412762 808235846 /nfs/dbraw/zinc/23/58/46/808235846.db2.gz SHPZFVYNRYCOSK-AAEUAGOBSA-N 1 2 283.347 0.950 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CCOC[C@H]2C#N)CC1 ZINC001254411147 808236497 /nfs/dbraw/zinc/23/64/97/808236497.db2.gz BOMVDTPLLYXPCM-CYBMUJFWSA-N 1 2 281.356 0.238 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126886499 815190350 /nfs/dbraw/zinc/19/03/50/815190350.db2.gz VGHJGCCCVIORJM-VIFPVBQESA-N 1 2 262.313 0.558 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ccoc2)C1 ZINC001278858111 808344966 /nfs/dbraw/zinc/34/49/66/808344966.db2.gz WKLYDODNOJHBCS-UHFFFAOYSA-N 1 2 264.325 0.561 20 30 CCEDLO C[C@@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@@H]1C#N ZINC001255815577 808430805 /nfs/dbraw/zinc/43/08/05/808430805.db2.gz FWNYAQISMSSJOQ-STQMWFEESA-N 1 2 293.392 0.646 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255980921 808444218 /nfs/dbraw/zinc/44/42/18/808444218.db2.gz CBSFQJBSSIGCHF-JTQLQIEISA-N 1 2 290.289 0.337 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]cc(Cl)c2=O)CC1 ZINC001256661619 808545713 /nfs/dbraw/zinc/54/57/13/808545713.db2.gz MQZFKQZSRXDQAH-UHFFFAOYSA-N 1 2 293.754 0.809 20 30 CCEDLO CC#CC[N@@H+](CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001279043963 808636058 /nfs/dbraw/zinc/63/60/58/808636058.db2.gz DDWSTAVBYNQMJJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@H+](CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001279043963 808636061 /nfs/dbraw/zinc/63/60/61/808636061.db2.gz DDWSTAVBYNQMJJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001261349300 808958968 /nfs/dbraw/zinc/95/89/68/808958968.db2.gz XJGYCDDEKMSKKZ-CYBMUJFWSA-N 1 2 291.395 0.860 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3ccsc3C2)C1=O ZINC001262668862 809390266 /nfs/dbraw/zinc/39/02/66/809390266.db2.gz GZOBELRPBPJKPC-LLVKDONJSA-N 1 2 274.345 0.867 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3ccsc3C2)C1=O ZINC001262668862 809390269 /nfs/dbraw/zinc/39/02/69/809390269.db2.gz GZOBELRPBPJKPC-LLVKDONJSA-N 1 2 274.345 0.867 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nnccc1C#N ZINC001262704298 809400924 /nfs/dbraw/zinc/40/09/24/809400924.db2.gz QKNGQYNQIBQBJO-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1nnccc1C#N ZINC001262704298 809400927 /nfs/dbraw/zinc/40/09/27/809400927.db2.gz QKNGQYNQIBQBJO-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CC(C)C)n2C)CC1 ZINC001262889076 809420621 /nfs/dbraw/zinc/42/06/21/809420621.db2.gz ITBBCAGRGGVURA-CYBMUJFWSA-N 1 2 291.399 0.650 20 30 CCEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076413524 815293263 /nfs/dbraw/zinc/29/32/63/815293263.db2.gz CAKQQCFMYUZZKH-ZDUSSCGKSA-N 1 2 290.367 0.554 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001264701297 809673601 /nfs/dbraw/zinc/67/36/01/809673601.db2.gz OVLRUYNCSKIGNB-MNOVXSKESA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001264701297 809673606 /nfs/dbraw/zinc/67/36/06/809673606.db2.gz OVLRUYNCSKIGNB-MNOVXSKESA-N 1 2 278.356 0.005 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001264985418 809687840 /nfs/dbraw/zinc/68/78/40/809687840.db2.gz YAQDAMOVLOZOMI-LLVKDONJSA-N 1 2 294.355 0.354 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001264985418 809687844 /nfs/dbraw/zinc/68/78/44/809687844.db2.gz YAQDAMOVLOZOMI-LLVKDONJSA-N 1 2 294.355 0.354 20 30 CCEDLO CC1(C)CC[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265263140 809734568 /nfs/dbraw/zinc/73/45/68/809734568.db2.gz UDQIRDPXQIOWQT-ZDUSSCGKSA-N 1 2 278.400 0.680 20 30 CCEDLO C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001265792771 809855142 /nfs/dbraw/zinc/85/51/42/809855142.db2.gz UXHVSPLJIPMADO-MNOVXSKESA-N 1 2 261.329 0.063 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H](C)[NH2+]Cc2cnon2)c1 ZINC001265823258 809864253 /nfs/dbraw/zinc/86/42/53/809864253.db2.gz FSRSAOQASREQKC-JTQLQIEISA-N 1 2 285.307 0.354 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NCC#N ZINC001265826442 809866449 /nfs/dbraw/zinc/86/64/49/809866449.db2.gz HIONGBRZSVDTGK-GMTAPVOTSA-N 1 2 261.329 0.141 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C)C1 ZINC001076834110 815387826 /nfs/dbraw/zinc/38/78/26/815387826.db2.gz FCYKRUWZBAGQSF-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C)C1 ZINC001076834110 815387831 /nfs/dbraw/zinc/38/78/31/815387831.db2.gz FCYKRUWZBAGQSF-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001076836109 815388628 /nfs/dbraw/zinc/38/86/28/815388628.db2.gz YSFWJUZRIOMCRJ-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001076836109 815388635 /nfs/dbraw/zinc/38/86/35/815388635.db2.gz YSFWJUZRIOMCRJ-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001076933399 815417566 /nfs/dbraw/zinc/41/75/66/815417566.db2.gz YWSZRVPKMGDJTP-GHMZBOCLSA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001076933399 815417569 /nfs/dbraw/zinc/41/75/69/815417569.db2.gz YWSZRVPKMGDJTP-GHMZBOCLSA-N 1 2 282.727 0.731 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001267276264 811080161 /nfs/dbraw/zinc/08/01/61/811080161.db2.gz OISJXUBYRLSDPT-NSHDSACASA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001267276264 811080171 /nfs/dbraw/zinc/08/01/71/811080171.db2.gz OISJXUBYRLSDPT-NSHDSACASA-N 1 2 265.357 0.409 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724759841 811100547 /nfs/dbraw/zinc/10/05/47/811100547.db2.gz QJFICHJKRDCTLR-MRVPVSSYSA-N 1 2 264.272 0.547 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001076953528 815421634 /nfs/dbraw/zinc/42/16/34/815421634.db2.gz FZIMQDRPWXDTPR-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001076953528 815421637 /nfs/dbraw/zinc/42/16/37/815421637.db2.gz FZIMQDRPWXDTPR-VXGBXAGGSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001038280713 811160313 /nfs/dbraw/zinc/16/03/13/811160313.db2.gz JFMPAKNQDUNWKW-ZDUSSCGKSA-N 1 2 298.346 0.962 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001038280713 811160318 /nfs/dbraw/zinc/16/03/18/811160318.db2.gz JFMPAKNQDUNWKW-ZDUSSCGKSA-N 1 2 298.346 0.962 20 30 CCEDLO CC#CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001267375617 811235501 /nfs/dbraw/zinc/23/55/01/811235501.db2.gz ONLBVRFZXQGEHT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[NH2+]CCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001267375617 811235507 /nfs/dbraw/zinc/23/55/07/811235507.db2.gz ONLBVRFZXQGEHT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[NH2+][C@@H](CNC(=O)c1ncn[nH]1)c1ccccc1 ZINC001267522685 811401902 /nfs/dbraw/zinc/40/19/02/811401902.db2.gz KIEQBXNGZCNRAR-ZDUSSCGKSA-N 1 2 283.335 0.889 20 30 CCEDLO CC#CC[NH2+][C@@H](CNC(=O)c1nc[nH]n1)c1ccccc1 ZINC001267522685 811401906 /nfs/dbraw/zinc/40/19/06/811401906.db2.gz KIEQBXNGZCNRAR-ZDUSSCGKSA-N 1 2 283.335 0.889 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038319005 811449275 /nfs/dbraw/zinc/44/92/75/811449275.db2.gz QKGOPDOLLUGEBY-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038319005 811449280 /nfs/dbraw/zinc/44/92/80/811449280.db2.gz QKGOPDOLLUGEBY-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CC12CC2 ZINC001267575418 811470026 /nfs/dbraw/zinc/47/00/26/811470026.db2.gz DABQRYDZGSVLIK-ZDUSSCGKSA-N 1 2 276.384 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001077152718 815452113 /nfs/dbraw/zinc/45/21/13/815452113.db2.gz HFURJVWUIYVABC-UKRRQHHQSA-N 1 2 287.363 0.233 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001077152718 815452114 /nfs/dbraw/zinc/45/21/14/815452114.db2.gz HFURJVWUIYVABC-UKRRQHHQSA-N 1 2 287.363 0.233 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648513 811546288 /nfs/dbraw/zinc/54/62/88/811546288.db2.gz VXNNZNMGHSYLSG-NSHDSACASA-N 1 2 298.350 0.600 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3C)[C@H]2C1 ZINC001083282162 811563769 /nfs/dbraw/zinc/56/37/69/811563769.db2.gz RHVYCESCGOJMQO-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3C)[C@H]2C1 ZINC001083282162 811563778 /nfs/dbraw/zinc/56/37/78/811563778.db2.gz RHVYCESCGOJMQO-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001267624049 811583269 /nfs/dbraw/zinc/58/32/69/811583269.db2.gz ONRZRQHGKMKLFE-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001267624049 811583272 /nfs/dbraw/zinc/58/32/72/811583272.db2.gz ONRZRQHGKMKLFE-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001267656106 811624503 /nfs/dbraw/zinc/62/45/03/811624503.db2.gz WSROQDHNHWBPDP-GFCCVEGCSA-N 1 2 270.373 0.396 20 30 CCEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001267658735 811625691 /nfs/dbraw/zinc/62/56/91/811625691.db2.gz KEZGKEGUCPZNBB-GFCCVEGCSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001267694586 811660834 /nfs/dbraw/zinc/66/08/34/811660834.db2.gz DCVGONXAMUOXLU-UONOGXRCSA-N 1 2 291.395 0.076 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCC1CC1 ZINC001267703401 811666685 /nfs/dbraw/zinc/66/66/85/811666685.db2.gz XQRSMCSWCCXGLG-GJZGRUSLSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCC1CC1 ZINC001267703401 811666691 /nfs/dbraw/zinc/66/66/91/811666691.db2.gz XQRSMCSWCCXGLG-GJZGRUSLSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001077212253 815462027 /nfs/dbraw/zinc/46/20/27/815462027.db2.gz VPZUHOMOYALGOY-CYZMBNFOSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001077212253 815462032 /nfs/dbraw/zinc/46/20/32/815462032.db2.gz VPZUHOMOYALGOY-CYZMBNFOSA-N 1 2 250.342 0.217 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001267721427 811685603 /nfs/dbraw/zinc/68/56/03/811685603.db2.gz VTDGUNXTIJYPFS-ZDUSSCGKSA-N 1 2 277.368 0.445 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001267721427 811685610 /nfs/dbraw/zinc/68/56/10/811685610.db2.gz VTDGUNXTIJYPFS-ZDUSSCGKSA-N 1 2 277.368 0.445 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)SC)C1 ZINC001267722174 811685868 /nfs/dbraw/zinc/68/58/68/811685868.db2.gz ZPUZWGOTPVPXPU-RYUDHWBXSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)SC)C1 ZINC001267722174 811685873 /nfs/dbraw/zinc/68/58/73/811685873.db2.gz ZPUZWGOTPVPXPU-RYUDHWBXSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(C)(=O)=O)C1 ZINC001111790947 811835983 /nfs/dbraw/zinc/83/59/83/811835983.db2.gz AHVJUGMXCYVVHE-JSGCOSHPSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(C)(=O)=O)C1 ZINC001111790947 811835994 /nfs/dbraw/zinc/83/59/94/811835994.db2.gz AHVJUGMXCYVVHE-JSGCOSHPSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCF)C1 ZINC001267956380 811893331 /nfs/dbraw/zinc/89/33/31/811893331.db2.gz FJVLDZUVZLQSHG-GFCCVEGCSA-N 1 2 283.347 0.066 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCF)C1 ZINC001267956380 811893337 /nfs/dbraw/zinc/89/33/37/811893337.db2.gz FJVLDZUVZLQSHG-GFCCVEGCSA-N 1 2 283.347 0.066 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001268019808 811965647 /nfs/dbraw/zinc/96/56/47/811965647.db2.gz RVBPIPFBFFWJGV-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001268019808 811965653 /nfs/dbraw/zinc/96/56/53/811965653.db2.gz RVBPIPFBFFWJGV-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2cnsn2)c[nH]1 ZINC001125988347 811969038 /nfs/dbraw/zinc/96/90/38/811969038.db2.gz SVXSMYQCJCYOOU-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001268030130 812030509 /nfs/dbraw/zinc/03/05/09/812030509.db2.gz NDCJECGTQBGKDU-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001268030130 812030517 /nfs/dbraw/zinc/03/05/17/812030517.db2.gz NDCJECGTQBGKDU-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007837 812211129 /nfs/dbraw/zinc/21/11/29/812211129.db2.gz RBFFRGRDVLAFMP-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007837 812211132 /nfs/dbraw/zinc/21/11/32/812211132.db2.gz RBFFRGRDVLAFMP-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001038862895 812264820 /nfs/dbraw/zinc/26/48/20/812264820.db2.gz DRALXMXOTLBJTH-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001038862895 812264825 /nfs/dbraw/zinc/26/48/25/812264825.db2.gz DRALXMXOTLBJTH-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001028089473 812267765 /nfs/dbraw/zinc/26/77/65/812267765.db2.gz HVARNTHAYZGSSC-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001028089473 812267773 /nfs/dbraw/zinc/26/77/73/812267773.db2.gz HVARNTHAYZGSSC-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058946707 812578314 /nfs/dbraw/zinc/57/83/14/812578314.db2.gz SCSSBYYOXWNELA-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001268467035 812614626 /nfs/dbraw/zinc/61/46/26/812614626.db2.gz QMJJHKNPLHQPBA-HNNXBMFYSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001126360038 812630471 /nfs/dbraw/zinc/63/04/71/812630471.db2.gz HJBOUXHCDXWDKN-CYBMUJFWSA-N 1 2 267.329 0.516 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)OC[C@@H]2CCCO2)C1 ZINC001268491458 812681136 /nfs/dbraw/zinc/68/11/36/812681136.db2.gz INJHKZKOGRZPKU-JSGCOSHPSA-N 1 2 282.384 0.947 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001127026998 815564470 /nfs/dbraw/zinc/56/44/70/815564470.db2.gz CSSAZANDEAETGG-NSHDSACASA-N 1 2 294.355 0.439 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCCC=C)C1 ZINC001268867619 813124488 /nfs/dbraw/zinc/12/44/88/813124488.db2.gz RCTYDEBXVNETSG-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001268866987 813124638 /nfs/dbraw/zinc/12/46/38/813124638.db2.gz DAJIMDPZOLDKIL-WCQYABFASA-N 1 2 279.384 0.525 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001268878638 813130472 /nfs/dbraw/zinc/13/04/72/813130472.db2.gz AUYSBTOJCKTEOT-SNVBAGLBSA-N 1 2 265.357 0.265 20 30 CCEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001268951418 813155996 /nfs/dbraw/zinc/15/59/96/813155996.db2.gz PICIFKALASROEU-BETUJISGSA-N 1 2 277.368 0.163 20 30 CCEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001268951418 813156001 /nfs/dbraw/zinc/15/60/01/813156001.db2.gz PICIFKALASROEU-BETUJISGSA-N 1 2 277.368 0.163 20 30 CCEDLO CCO[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC)C1CC1 ZINC001269235361 813281573 /nfs/dbraw/zinc/28/15/73/813281573.db2.gz KDRKONLABMZZAY-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO CCO[C@H](C(=O)NC[C@H]1CC[N@H+]1CC#CCOC)C1CC1 ZINC001269235361 813281579 /nfs/dbraw/zinc/28/15/79/813281579.db2.gz KDRKONLABMZZAY-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001269337679 813332486 /nfs/dbraw/zinc/33/24/86/813332486.db2.gz MUNGLTOWIPXBRJ-SWLSCSKDSA-N 1 2 299.374 0.275 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001269337679 813332491 /nfs/dbraw/zinc/33/24/91/813332491.db2.gz MUNGLTOWIPXBRJ-SWLSCSKDSA-N 1 2 299.374 0.275 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001269755809 813493514 /nfs/dbraw/zinc/49/35/14/813493514.db2.gz YEMMARZODYRQHK-KBPBESRZSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CCCC(=O)N(C)C1C[NH+](CCN2CCCC2=O)C1 ZINC001269764296 813496460 /nfs/dbraw/zinc/49/64/60/813496460.db2.gz ROGGDRNTFPEIIM-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270506624 813789265 /nfs/dbraw/zinc/78/92/65/813789265.db2.gz BOQHQUKMYNJALQ-NSHDSACASA-N 1 2 258.325 0.819 20 30 CCEDLO COC[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001270521070 813795291 /nfs/dbraw/zinc/79/52/91/813795291.db2.gz VNWCTNQDESDHEI-ZIAGYGMSSA-N 1 2 294.399 0.011 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H](C)OC)C1 ZINC001270637366 813864414 /nfs/dbraw/zinc/86/44/14/813864414.db2.gz BJGXTYWPSFAYEQ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@H](C)OC)C1 ZINC001270637366 813864430 /nfs/dbraw/zinc/86/44/30/813864430.db2.gz BJGXTYWPSFAYEQ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001270701051 813898649 /nfs/dbraw/zinc/89/86/49/813898649.db2.gz NXZKFZYRCVRVBV-ZDUSSCGKSA-N 1 2 292.383 0.572 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001270701051 813898659 /nfs/dbraw/zinc/89/86/59/813898659.db2.gz NXZKFZYRCVRVBV-ZDUSSCGKSA-N 1 2 292.383 0.572 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001059250172 814008482 /nfs/dbraw/zinc/00/84/82/814008482.db2.gz GQCGVMIRASEBAF-XYPYZODXSA-N 1 2 297.322 0.304 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001271298262 814368065 /nfs/dbraw/zinc/36/80/65/814368065.db2.gz YOVQFARAKARTCM-STQMWFEESA-N 1 2 280.368 0.130 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](OC)[C@H](C)CC)C1 ZINC001271311328 814374650 /nfs/dbraw/zinc/37/46/50/814374650.db2.gz DBTJUSPPKOQSRI-OLZOCXBDSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001127052080 815605407 /nfs/dbraw/zinc/60/54/07/815605407.db2.gz QRVZACZLSYYEKP-ZJUUUORDSA-N 1 2 280.328 0.183 20 30 CCEDLO COC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590096 814614373 /nfs/dbraw/zinc/61/43/73/814614373.db2.gz STTHNMRNQSJLDY-JTQLQIEISA-N 1 2 276.340 0.677 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCO1 ZINC001271998678 814673538 /nfs/dbraw/zinc/67/35/38/814673538.db2.gz XEZWXYWMSHSZNP-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCO1 ZINC001271998678 814673540 /nfs/dbraw/zinc/67/35/40/814673540.db2.gz XEZWXYWMSHSZNP-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001127032023 815582164 /nfs/dbraw/zinc/58/21/64/815582164.db2.gz OOPVBBIKSIKWCP-UHFFFAOYSA-N 1 2 294.355 0.439 20 30 CCEDLO C#CCCCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105797108 815834728 /nfs/dbraw/zinc/83/47/28/815834728.db2.gz VNCIWCPSZWSOCM-GFCCVEGCSA-N 1 2 276.340 0.478 20 30 CCEDLO C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)O1 ZINC001030234818 815915892 /nfs/dbraw/zinc/91/58/92/815915892.db2.gz HXURYUMHBIKZOG-QMTHXVAHSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001030257781 815935671 /nfs/dbraw/zinc/93/56/71/815935671.db2.gz SVUWDRRPCOTOCU-DGCLKSJQSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001030407414 816020358 /nfs/dbraw/zinc/02/03/58/816020358.db2.gz DWAFDYHHVNPLAF-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001030416148 816024628 /nfs/dbraw/zinc/02/46/28/816024628.db2.gz YPBWUCKNAKPOCL-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001030471950 816054105 /nfs/dbraw/zinc/05/41/05/816054105.db2.gz IAAZHGLMLVJLHR-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001030480880 816056968 /nfs/dbraw/zinc/05/69/68/816056968.db2.gz UXQRNFXNOMYSTJ-UHFFFAOYSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001083677864 816126063 /nfs/dbraw/zinc/12/60/63/816126063.db2.gz RIUAHXQMGWLZRD-CABCVRRESA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001083677864 816126066 /nfs/dbraw/zinc/12/60/66/816126066.db2.gz RIUAHXQMGWLZRD-CABCVRRESA-N 1 2 299.374 0.676 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106051164 816128627 /nfs/dbraw/zinc/12/86/27/816128627.db2.gz BCYWQWULKXJCCF-NSHDSACASA-N 1 2 278.356 0.886 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001030588843 816129116 /nfs/dbraw/zinc/12/91/16/816129116.db2.gz BYJRUOMBUSWERU-UHFFFAOYSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001030634090 816171409 /nfs/dbraw/zinc/17/14/09/816171409.db2.gz FUHHOJHMXRPHNH-LLVKDONJSA-N 1 2 280.372 0.154 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3cccnc23)C1 ZINC001030775803 816280821 /nfs/dbraw/zinc/28/08/21/816280821.db2.gz GKXCBAWYUAZPEZ-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001030773898 816281607 /nfs/dbraw/zinc/28/16/07/816281607.db2.gz WMWQZEAUYQEMER-UHFFFAOYSA-N 1 2 276.340 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001030822834 816318716 /nfs/dbraw/zinc/31/87/16/816318716.db2.gz PXYZBJUEDZLMJB-CQSZACIVSA-N 1 2 265.357 0.279 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001030831650 816327851 /nfs/dbraw/zinc/32/78/51/816327851.db2.gz LRFXEXSBRRPUJS-OAHLLOKOSA-N 1 2 293.411 0.616 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001030831650 816327859 /nfs/dbraw/zinc/32/78/59/816327859.db2.gz LRFXEXSBRRPUJS-OAHLLOKOSA-N 1 2 293.411 0.616 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233561612 816337006 /nfs/dbraw/zinc/33/70/06/816337006.db2.gz SYTBXHIOJIZBAY-NSHDSACASA-N 1 2 263.345 0.456 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233561612 816337010 /nfs/dbraw/zinc/33/70/10/816337010.db2.gz SYTBXHIOJIZBAY-NSHDSACASA-N 1 2 263.345 0.456 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cocn1 ZINC001272374983 816373492 /nfs/dbraw/zinc/37/34/92/816373492.db2.gz KXVFVQVPPPGHFM-CHWSQXEVSA-N 1 2 259.309 0.873 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cocn1 ZINC001272374983 816373501 /nfs/dbraw/zinc/37/35/01/816373501.db2.gz KXVFVQVPPPGHFM-CHWSQXEVSA-N 1 2 259.309 0.873 20 30 CCEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001030901008 816410658 /nfs/dbraw/zinc/41/06/58/816410658.db2.gz ZTYSLIMVHJKZBP-NSHDSACASA-N 1 2 252.358 0.914 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077516010 816413796 /nfs/dbraw/zinc/41/37/96/816413796.db2.gz ZUCGTNLBURXPRV-MWQQHZPXSA-N 1 2 298.386 0.855 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077516010 816413802 /nfs/dbraw/zinc/41/38/02/816413802.db2.gz ZUCGTNLBURXPRV-MWQQHZPXSA-N 1 2 298.386 0.855 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001030921232 816438356 /nfs/dbraw/zinc/43/83/56/816438356.db2.gz AYWXUQJLFWOHKS-DGCLKSJQSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(N)=O)co2)C1 ZINC001030938661 816469031 /nfs/dbraw/zinc/46/90/31/816469031.db2.gz UDKASSBIFUHFLD-UHFFFAOYSA-N 1 2 263.297 0.369 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001030976073 816524851 /nfs/dbraw/zinc/52/48/51/816524851.db2.gz UTQBAOJRRZJVIT-VXGBXAGGSA-N 1 2 260.341 0.510 20 30 CCEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272542374 816565482 /nfs/dbraw/zinc/56/54/82/816565482.db2.gz WBMHFIQOCYSMMG-OAHLLOKOSA-N 1 2 290.367 0.789 20 30 CCEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272542374 816565485 /nfs/dbraw/zinc/56/54/85/816565485.db2.gz WBMHFIQOCYSMMG-OAHLLOKOSA-N 1 2 290.367 0.789 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031088743 816634767 /nfs/dbraw/zinc/63/47/67/816634767.db2.gz JOMLDKIMXLSHMM-XBFCOCLRSA-N 1 2 282.384 0.803 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001031107853 816654308 /nfs/dbraw/zinc/65/43/08/816654308.db2.gz JJTWMMGEFWGNSJ-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3ccccc23)C1 ZINC001031116120 816660988 /nfs/dbraw/zinc/66/09/88/816660988.db2.gz BTNQOYUMFLBPKM-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001031212990 816818160 /nfs/dbraw/zinc/81/81/60/816818160.db2.gz UAVMOXZJCHGCBY-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031232065 816861202 /nfs/dbraw/zinc/86/12/02/816861202.db2.gz WULIOFRMKDQKNI-NSHDSACASA-N 1 2 291.351 0.441 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001031240530 816876739 /nfs/dbraw/zinc/87/67/39/816876739.db2.gz AWPYBAMDLTWWBA-UHFFFAOYSA-N 1 2 257.337 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](O)C1 ZINC001083755537 817008323 /nfs/dbraw/zinc/00/83/23/817008323.db2.gz ZVVYOIJFUOTAPX-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](O)C1 ZINC001083755537 817008329 /nfs/dbraw/zinc/00/83/29/817008329.db2.gz ZVVYOIJFUOTAPX-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3nnn(C)c32)C1 ZINC001031501034 817086871 /nfs/dbraw/zinc/08/68/71/817086871.db2.gz QCLNGKNIAUGYHN-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001124027587 817255542 /nfs/dbraw/zinc/25/55/42/817255542.db2.gz CYPHYEOHICTNRE-AWEZNQCLSA-N 1 2 294.395 0.779 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001124027587 817255550 /nfs/dbraw/zinc/25/55/50/817255550.db2.gz CYPHYEOHICTNRE-AWEZNQCLSA-N 1 2 294.395 0.779 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031741654 817305850 /nfs/dbraw/zinc/30/58/50/817305850.db2.gz WKYWRWFKWOUXRA-UHFFFAOYSA-N 1 2 296.758 0.194 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001124635871 817531109 /nfs/dbraw/zinc/53/11/09/817531109.db2.gz BQCOJTMVZUPSCP-UHFFFAOYSA-N 1 2 252.318 0.804 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870258 817580094 /nfs/dbraw/zinc/58/00/94/817580094.db2.gz RKEDXNVIDMWPHE-MYPMTAMASA-N 1 2 299.378 0.645 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001124888477 817615767 /nfs/dbraw/zinc/61/57/67/817615767.db2.gz KTCDTJLBTRBGRG-LURJTMIESA-N 1 2 273.243 0.373 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCSC)nn2)C1 ZINC001107122432 817774528 /nfs/dbraw/zinc/77/45/28/817774528.db2.gz CTPOFDKYVOHINL-UHFFFAOYSA-N 1 2 295.412 0.690 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](O)C1 ZINC001083783050 817779061 /nfs/dbraw/zinc/77/90/61/817779061.db2.gz YEXRVZLIBXOHGV-SFYZADRCSA-N 1 2 287.266 0.573 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](O)C1 ZINC001083783050 817779062 /nfs/dbraw/zinc/77/90/62/817779062.db2.gz YEXRVZLIBXOHGV-SFYZADRCSA-N 1 2 287.266 0.573 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C ZINC001032283459 817781332 /nfs/dbraw/zinc/78/13/32/817781332.db2.gz GUKOCTSKTBAAMP-STQMWFEESA-N 1 2 257.337 0.947 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C ZINC001032283459 817781335 /nfs/dbraw/zinc/78/13/35/817781335.db2.gz GUKOCTSKTBAAMP-STQMWFEESA-N 1 2 257.337 0.947 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C)cn1 ZINC001032305529 817826401 /nfs/dbraw/zinc/82/64/01/817826401.db2.gz IAJFAROTFQYBBZ-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C)cn1 ZINC001032305529 817826410 /nfs/dbraw/zinc/82/64/10/817826410.db2.gz IAJFAROTFQYBBZ-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001077626246 817885234 /nfs/dbraw/zinc/88/52/34/817885234.db2.gz JFDCPBOYDGHVER-YNEHKIRRSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001077626246 817885238 /nfs/dbraw/zinc/88/52/38/817885238.db2.gz JFDCPBOYDGHVER-YNEHKIRRSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001077643767 817911342 /nfs/dbraw/zinc/91/13/42/817911342.db2.gz IFOZSPXLLQWOEZ-RGCMKSIDSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001077643767 817911343 /nfs/dbraw/zinc/91/13/43/817911343.db2.gz IFOZSPXLLQWOEZ-RGCMKSIDSA-N 1 2 262.353 0.361 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOC)C1 ZINC001107667716 817926448 /nfs/dbraw/zinc/92/64/48/817926448.db2.gz NSZLQJUESKWUNG-CQSZACIVSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCOC)C1 ZINC001107667716 817926451 /nfs/dbraw/zinc/92/64/51/817926451.db2.gz NSZLQJUESKWUNG-CQSZACIVSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001032355586 817975371 /nfs/dbraw/zinc/97/53/71/817975371.db2.gz GIXAXOKCTMDQOI-IHRRRGAJSA-N 1 2 257.337 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001032355586 817975379 /nfs/dbraw/zinc/97/53/79/817975379.db2.gz GIXAXOKCTMDQOI-IHRRRGAJSA-N 1 2 257.337 0.967 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001107781439 818001350 /nfs/dbraw/zinc/00/13/50/818001350.db2.gz GDZSFRVOTZKXAK-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001107781439 818001363 /nfs/dbraw/zinc/00/13/63/818001363.db2.gz GDZSFRVOTZKXAK-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107811246 818025033 /nfs/dbraw/zinc/02/50/33/818025033.db2.gz KOBFDQNINURQAW-AWEZNQCLSA-N 1 2 268.357 0.582 20 30 CCEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107811246 818025041 /nfs/dbraw/zinc/02/50/41/818025041.db2.gz KOBFDQNINURQAW-AWEZNQCLSA-N 1 2 268.357 0.582 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078734975 818037624 /nfs/dbraw/zinc/03/76/24/818037624.db2.gz WNSMORNQIXGLKG-RYUDHWBXSA-N 1 2 273.340 0.493 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078753006 818045154 /nfs/dbraw/zinc/04/51/54/818045154.db2.gz WBTHYOPLVBZQNX-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CCCF)CC2 ZINC001128264153 818136090 /nfs/dbraw/zinc/13/60/90/818136090.db2.gz JPMZIDOPVFVZPW-NSHDSACASA-N 1 2 293.346 0.834 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CCCF)CC2 ZINC001128264153 818136093 /nfs/dbraw/zinc/13/60/93/818136093.db2.gz JPMZIDOPVFVZPW-NSHDSACASA-N 1 2 293.346 0.834 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128259886 818137601 /nfs/dbraw/zinc/13/76/01/818137601.db2.gz XLNVEDFPCCOIGV-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128259886 818137608 /nfs/dbraw/zinc/13/76/08/818137608.db2.gz XLNVEDFPCCOIGV-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128362994 818202228 /nfs/dbraw/zinc/20/22/28/818202228.db2.gz OTPKAFMJMVVXKU-GFCCVEGCSA-N 1 2 290.367 0.373 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128362994 818202231 /nfs/dbraw/zinc/20/22/31/818202231.db2.gz OTPKAFMJMVVXKU-GFCCVEGCSA-N 1 2 290.367 0.373 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062705 818481421 /nfs/dbraw/zinc/48/14/21/818481421.db2.gz KUPRLRSBPGXVLT-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062705 818481423 /nfs/dbraw/zinc/48/14/23/818481423.db2.gz KUPRLRSBPGXVLT-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100885 818516212 /nfs/dbraw/zinc/51/62/12/818516212.db2.gz USHKCBFWPAOJNL-QWRGUYRKSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100885 818516217 /nfs/dbraw/zinc/51/62/17/818516217.db2.gz USHKCBFWPAOJNL-QWRGUYRKSA-N 1 2 284.747 0.327 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001083834235 818533020 /nfs/dbraw/zinc/53/30/20/818533020.db2.gz UIELCICACHCVKV-ZJUUUORDSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001083834235 818533027 /nfs/dbraw/zinc/53/30/27/818533027.db2.gz UIELCICACHCVKV-ZJUUUORDSA-N 1 2 284.768 0.810 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120544 818545074 /nfs/dbraw/zinc/54/50/74/818545074.db2.gz XQCBZBSPQLKVRX-LLVKDONJSA-N 1 2 283.763 0.563 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120544 818545080 /nfs/dbraw/zinc/54/50/80/818545080.db2.gz XQCBZBSPQLKVRX-LLVKDONJSA-N 1 2 283.763 0.563 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001033159647 818585824 /nfs/dbraw/zinc/58/58/24/818585824.db2.gz DVXCZWOBFKECHQ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001033159647 818585830 /nfs/dbraw/zinc/58/58/30/818585830.db2.gz DVXCZWOBFKECHQ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@H]1CCN(CC#N)C1 ZINC001033180742 818630890 /nfs/dbraw/zinc/63/08/90/818630890.db2.gz BVULRXWFJBEHBV-ZDUSSCGKSA-N 1 2 288.351 0.689 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC001090134809 818714845 /nfs/dbraw/zinc/71/48/45/818714845.db2.gz RGVPSYXCLQMQBA-NWDGAFQWSA-N 1 2 278.356 0.378 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC001090134809 818714851 /nfs/dbraw/zinc/71/48/51/818714851.db2.gz RGVPSYXCLQMQBA-NWDGAFQWSA-N 1 2 278.356 0.378 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128764001 818975106 /nfs/dbraw/zinc/97/51/06/818975106.db2.gz SOSMKBLJUNTSNF-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128764001 818975115 /nfs/dbraw/zinc/97/51/15/818975115.db2.gz SOSMKBLJUNTSNF-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090195679 819119415 /nfs/dbraw/zinc/11/94/15/819119415.db2.gz WUQQRXYHEWRCHB-QWHCGFSZSA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090195679 819119418 /nfs/dbraw/zinc/11/94/18/819119418.db2.gz WUQQRXYHEWRCHB-QWHCGFSZSA-N 1 2 297.786 0.943 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108157569 819328051 /nfs/dbraw/zinc/32/80/51/819328051.db2.gz ZVSBECAKPSBKOT-HNNXBMFYSA-N 1 2 291.351 0.448 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108157569 819328060 /nfs/dbraw/zinc/32/80/60/819328060.db2.gz ZVSBECAKPSBKOT-HNNXBMFYSA-N 1 2 291.351 0.448 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035300345 819453993 /nfs/dbraw/zinc/45/39/93/819453993.db2.gz XBSBVGLEQWWPCG-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035300345 819453996 /nfs/dbraw/zinc/45/39/96/819453996.db2.gz XBSBVGLEQWWPCG-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315812 819465371 /nfs/dbraw/zinc/46/53/71/819465371.db2.gz GKAPOAHYUFSWCX-CYBMUJFWSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315812 819465377 /nfs/dbraw/zinc/46/53/77/819465377.db2.gz GKAPOAHYUFSWCX-CYBMUJFWSA-N 1 2 278.356 0.520 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035328611 819474050 /nfs/dbraw/zinc/47/40/50/819474050.db2.gz YNLXDOOYIQQIFN-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035328611 819474053 /nfs/dbraw/zinc/47/40/53/819474053.db2.gz YNLXDOOYIQQIFN-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csnc2C)C1 ZINC001035343491 819481785 /nfs/dbraw/zinc/48/17/85/819481785.db2.gz XALWTORLEHPWHI-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csnc2C)C1 ZINC001035343491 819481791 /nfs/dbraw/zinc/48/17/91/819481791.db2.gz XALWTORLEHPWHI-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnnn2CC)C1 ZINC001035358811 819498273 /nfs/dbraw/zinc/49/82/73/819498273.db2.gz TXPVVVDGNSLDSX-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnnn2CC)C1 ZINC001035358811 819498278 /nfs/dbraw/zinc/49/82/78/819498278.db2.gz TXPVVVDGNSLDSX-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001035424037 819512398 /nfs/dbraw/zinc/51/23/98/819512398.db2.gz QUYWWWXIOOPKPK-CYBMUJFWSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001035424037 819512404 /nfs/dbraw/zinc/51/24/04/819512404.db2.gz QUYWWWXIOOPKPK-CYBMUJFWSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035411079 819518536 /nfs/dbraw/zinc/51/85/36/819518536.db2.gz ZTZYSCVWRKWRRB-WXRRBKDZSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035411079 819518543 /nfs/dbraw/zinc/51/85/43/819518543.db2.gz ZTZYSCVWRKWRRB-WXRRBKDZSA-N 1 2 268.357 0.414 20 30 CCEDLO N#CCN1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035416877 819520263 /nfs/dbraw/zinc/52/02/63/819520263.db2.gz NKBHHMNACJTCNY-LBPRGKRZSA-N 1 2 299.334 0.517 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001035447704 819527585 /nfs/dbraw/zinc/52/75/85/819527585.db2.gz YEYQRQATFPSRIB-LZWOXQAQSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001035447704 819527590 /nfs/dbraw/zinc/52/75/90/819527590.db2.gz YEYQRQATFPSRIB-LZWOXQAQSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507968 819544535 /nfs/dbraw/zinc/54/45/35/819544535.db2.gz GRRGBJPBWOSNNY-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507968 819544540 /nfs/dbraw/zinc/54/45/40/819544540.db2.gz GRRGBJPBWOSNNY-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035580568 819575687 /nfs/dbraw/zinc/57/56/87/819575687.db2.gz XTGLNXLFVPTDJN-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035580568 819575693 /nfs/dbraw/zinc/57/56/93/819575693.db2.gz XTGLNXLFVPTDJN-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579180 819575872 /nfs/dbraw/zinc/57/58/72/819575872.db2.gz DNGNVPIFHPFRCZ-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579180 819575877 /nfs/dbraw/zinc/57/58/77/819575877.db2.gz DNGNVPIFHPFRCZ-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#C)cn2)C1 ZINC001035581620 819576630 /nfs/dbraw/zinc/57/66/30/819576630.db2.gz FRNSFGGYRCGZAH-OAHLLOKOSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#C)cn2)C1 ZINC001035581620 819576638 /nfs/dbraw/zinc/57/66/38/819576638.db2.gz FRNSFGGYRCGZAH-OAHLLOKOSA-N 1 2 297.358 0.517 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622789 819580335 /nfs/dbraw/zinc/58/03/35/819580335.db2.gz XVAQZBXYNNYHSC-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622789 819580339 /nfs/dbraw/zinc/58/03/39/819580339.db2.gz XVAQZBXYNNYHSC-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278208 820064769 /nfs/dbraw/zinc/06/47/69/820064769.db2.gz BSBGLOLZRULSCS-NWDGAFQWSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278208 820064778 /nfs/dbraw/zinc/06/47/78/820064778.db2.gz BSBGLOLZRULSCS-NWDGAFQWSA-N 1 2 283.759 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](O)C1 ZINC001083885256 820074861 /nfs/dbraw/zinc/07/48/61/820074861.db2.gz BJBBONCZHBGQJA-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](O)C1 ZINC001083885256 820074871 /nfs/dbraw/zinc/07/48/71/820074871.db2.gz BJBBONCZHBGQJA-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129293852 820129978 /nfs/dbraw/zinc/12/99/78/820129978.db2.gz LDGOTGBKZCLTIA-MJBXVCDLSA-N 1 2 289.383 0.545 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129293852 820129985 /nfs/dbraw/zinc/12/99/85/820129985.db2.gz LDGOTGBKZCLTIA-MJBXVCDLSA-N 1 2 289.383 0.545 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001064310932 820193687 /nfs/dbraw/zinc/19/36/87/820193687.db2.gz SZWUAXRMYDEFDW-NSHDSACASA-N 1 2 289.339 0.198 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705390 820477154 /nfs/dbraw/zinc/47/71/54/820477154.db2.gz ZIWLSRDNHBRECY-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705390 820477160 /nfs/dbraw/zinc/47/71/60/820477160.db2.gz ZIWLSRDNHBRECY-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080793767 820641820 /nfs/dbraw/zinc/64/18/20/820641820.db2.gz GAVARMFNDVZRBP-TZMCWYRMSA-N 1 2 286.379 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001081275193 820717318 /nfs/dbraw/zinc/71/73/18/820717318.db2.gz KUOBKMABMSNVKT-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001081275193 820717324 /nfs/dbraw/zinc/71/73/24/820717324.db2.gz KUOBKMABMSNVKT-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@H](OC)C1 ZINC001081451895 820764551 /nfs/dbraw/zinc/76/45/51/820764551.db2.gz VGXDCNSTTKTMGR-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@H](OC)C1 ZINC001081451895 820764560 /nfs/dbraw/zinc/76/45/60/820764560.db2.gz VGXDCNSTTKTMGR-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@H](OC)C1 ZINC001081484034 820773024 /nfs/dbraw/zinc/77/30/24/820773024.db2.gz FNMANUQCNREAAJ-CHWSQXEVSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@H](OC)C1 ZINC001081484034 820773028 /nfs/dbraw/zinc/77/30/28/820773028.db2.gz FNMANUQCNREAAJ-CHWSQXEVSA-N 1 2 276.336 0.959 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](OC)C1 ZINC001081991252 820873612 /nfs/dbraw/zinc/87/36/12/820873612.db2.gz RLGDSRSOJYZCML-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](OC)C1 ZINC001081991252 820873621 /nfs/dbraw/zinc/87/36/21/820873621.db2.gz RLGDSRSOJYZCML-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](OC)C1 ZINC001081978772 820874403 /nfs/dbraw/zinc/87/44/03/820874403.db2.gz MMTMSXBJICLMDT-JTTNIQEDSA-N 1 2 276.380 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](OC)C1 ZINC001081978772 820874408 /nfs/dbraw/zinc/87/44/08/820874408.db2.gz MMTMSXBJICLMDT-JTTNIQEDSA-N 1 2 276.380 0.871 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@H](OC)C1 ZINC001082053066 820885582 /nfs/dbraw/zinc/88/55/82/820885582.db2.gz WKQAEILJDRTTMV-MRVWCRGKSA-N 1 2 288.351 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@H](OC)C1 ZINC001082053066 820885592 /nfs/dbraw/zinc/88/55/92/820885592.db2.gz WKQAEILJDRTTMV-MRVWCRGKSA-N 1 2 288.351 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001082193162 820912660 /nfs/dbraw/zinc/91/26/60/820912660.db2.gz RRLZJRDCHOSXBJ-DGCLKSJQSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001082193162 820912666 /nfs/dbraw/zinc/91/26/66/820912666.db2.gz RRLZJRDCHOSXBJ-DGCLKSJQSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H](OC)C1 ZINC001082233644 820919551 /nfs/dbraw/zinc/91/95/51/820919551.db2.gz DFGUMXRBLVEFRG-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H](OC)C1 ZINC001082233644 820919555 /nfs/dbraw/zinc/91/95/55/820919555.db2.gz DFGUMXRBLVEFRG-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099741267 820948779 /nfs/dbraw/zinc/94/87/79/820948779.db2.gz QIBKLWGBCWDXOZ-NWDGAFQWSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099741267 820948785 /nfs/dbraw/zinc/94/87/85/820948785.db2.gz QIBKLWGBCWDXOZ-NWDGAFQWSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001090388382 821062274 /nfs/dbraw/zinc/06/22/74/821062274.db2.gz PMYFRBFDRYNYJR-STQMWFEESA-N 1 2 290.367 0.249 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001090388382 821062280 /nfs/dbraw/zinc/06/22/80/821062280.db2.gz PMYFRBFDRYNYJR-STQMWFEESA-N 1 2 290.367 0.249 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccn3)[C@H]2C1 ZINC001083161062 821149186 /nfs/dbraw/zinc/14/91/86/821149186.db2.gz JCMMIOBVBJDYGT-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccn3)[C@H]2C1 ZINC001083161062 821149189 /nfs/dbraw/zinc/14/91/89/821149189.db2.gz JCMMIOBVBJDYGT-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccccc3n2)[C@@H](O)C1 ZINC001083983615 821169078 /nfs/dbraw/zinc/16/90/78/821169078.db2.gz FFKZVRLCFHRJFF-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccccc3n2)[C@@H](O)C1 ZINC001083983615 821169083 /nfs/dbraw/zinc/16/90/83/821169083.db2.gz FFKZVRLCFHRJFF-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](O)C1 ZINC001084109177 821200775 /nfs/dbraw/zinc/20/07/75/821200775.db2.gz ZQVVOJVQJHJROO-ZJUUUORDSA-N 1 2 281.381 0.666 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](O)C1 ZINC001084109177 821200786 /nfs/dbraw/zinc/20/07/86/821200786.db2.gz ZQVVOJVQJHJROO-ZJUUUORDSA-N 1 2 281.381 0.666 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001084523548 821306927 /nfs/dbraw/zinc/30/69/27/821306927.db2.gz MAYJAFCGJQGIBE-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001084523548 821306936 /nfs/dbraw/zinc/30/69/36/821306936.db2.gz MAYJAFCGJQGIBE-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO C=CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001119568779 821371097 /nfs/dbraw/zinc/37/10/97/821371097.db2.gz QPJKSUCBZSEBPX-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230556106 821432218 /nfs/dbraw/zinc/43/22/18/821432218.db2.gz CXPKOAAMSUTXAT-YPMHNXCESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230556106 821432221 /nfs/dbraw/zinc/43/22/21/821432221.db2.gz CXPKOAAMSUTXAT-YPMHNXCESA-N 1 2 277.368 0.067 20 30 CCEDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)ccc1C#N ZINC000712277055 821461681 /nfs/dbraw/zinc/46/16/81/821461681.db2.gz MZWUBZYDPIQLIK-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)ccc1C#N ZINC000712277055 821461686 /nfs/dbraw/zinc/46/16/86/821461686.db2.gz MZWUBZYDPIQLIK-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC(F)F ZINC001085596607 821842166 /nfs/dbraw/zinc/84/21/66/821842166.db2.gz FSFSHLMNVQVVDC-NSHDSACASA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC(F)F ZINC001085596607 821842174 /nfs/dbraw/zinc/84/21/74/821842174.db2.gz FSFSHLMNVQVVDC-NSHDSACASA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667388 821888804 /nfs/dbraw/zinc/88/88/04/821888804.db2.gz GYSWZMRSVMTSEC-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667388 821888817 /nfs/dbraw/zinc/88/88/17/821888817.db2.gz GYSWZMRSVMTSEC-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(N)=O)cc1 ZINC001085756798 821937303 /nfs/dbraw/zinc/93/73/03/821937303.db2.gz QJXUQCIGXVCUTK-SWLSCSKDSA-N 1 2 299.374 0.688 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(N)=O)cc1 ZINC001085756798 821937307 /nfs/dbraw/zinc/93/73/07/821937307.db2.gz QJXUQCIGXVCUTK-SWLSCSKDSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085816445 821963705 /nfs/dbraw/zinc/96/37/05/821963705.db2.gz XBNMZOOPWAPYIN-LBPRGKRZSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085816445 821963711 /nfs/dbraw/zinc/96/37/11/821963711.db2.gz XBNMZOOPWAPYIN-LBPRGKRZSA-N 1 2 289.383 0.813 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085945675 822028670 /nfs/dbraw/zinc/02/86/70/822028670.db2.gz OJRPLBSGIHPPGU-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085945675 822028680 /nfs/dbraw/zinc/02/86/80/822028680.db2.gz OJRPLBSGIHPPGU-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1cnc(C#N)cn1 ZINC001100042669 822150882 /nfs/dbraw/zinc/15/08/82/822150882.db2.gz JKFNUOUNWOBAAG-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108307537 822347020 /nfs/dbraw/zinc/34/70/20/822347020.db2.gz HOWQIJHRMULEIG-JTQLQIEISA-N 1 2 264.329 0.904 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114069759 837430035 /nfs/dbraw/zinc/43/00/35/837430035.db2.gz OEWNBFAAMLEQQE-YJQGPUDQSA-N 1 2 276.365 0.849 20 30 CCEDLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114064465 837425012 /nfs/dbraw/zinc/42/50/12/837425012.db2.gz RHOJQKPNCYMUPQ-GOONRYMUSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114064465 837425018 /nfs/dbraw/zinc/42/50/18/837425018.db2.gz RHOJQKPNCYMUPQ-GOONRYMUSA-N 1 2 274.324 0.689 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114069759 837430044 /nfs/dbraw/zinc/43/00/44/837430044.db2.gz OEWNBFAAMLEQQE-YJQGPUDQSA-N 1 2 276.365 0.849 20 30 CCEDLO CC#CCN1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439774 836109782 /nfs/dbraw/zinc/10/97/82/836109782.db2.gz UJGQLRFDRIICOJ-HNNXBMFYSA-N 1 2 290.367 0.114 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc3cc(C#N)ccc32)C[NH2+]1 ZINC001169130522 836145430 /nfs/dbraw/zinc/14/54/30/836145430.db2.gz ZNGLUSWITSQLST-MFKMUULPSA-N 1 2 297.318 0.817 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)C[NH2+]1 ZINC001169131309 836146334 /nfs/dbraw/zinc/14/63/34/836146334.db2.gz YMTNSAJSHYRZSR-NEPJUHHUSA-N 1 2 297.318 0.817 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)SC)CC2=O)C1 ZINC001108509297 836372439 /nfs/dbraw/zinc/37/24/39/836372439.db2.gz GVNJQLINLQDAGS-WDEREUQCSA-N 1 2 297.424 0.325 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C\C)CC2=O)C1 ZINC001108529960 836427370 /nfs/dbraw/zinc/42/73/70/836427370.db2.gz QCNJZVBMCGSGQL-DKRCXCIFSA-N 1 2 277.368 0.540 20 30 CCEDLO C#CCN1CC[NH+](C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169892495 836481506 /nfs/dbraw/zinc/48/15/06/836481506.db2.gz RBGFKKZJCJLFRA-UHFFFAOYSA-N 1 2 284.425 0.593 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCCC2(C1)OCCO2 ZINC001169935356 836482879 /nfs/dbraw/zinc/48/28/79/836482879.db2.gz XWEWELSILDOPIN-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718792 836515434 /nfs/dbraw/zinc/51/54/34/836515434.db2.gz UYLNOKBLBBNNLR-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112846325 836938735 /nfs/dbraw/zinc/93/87/35/836938735.db2.gz LRANPWHTXROFDQ-HNNXBMFYSA-N 1 2 296.411 0.842 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001112841713 836940088 /nfs/dbraw/zinc/94/00/88/836940088.db2.gz JPAHPTHDSAMMCG-HNNXBMFYSA-N 1 2 296.411 0.986 20 30 CCEDLO C#CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCOCC1 ZINC001112950163 836973736 /nfs/dbraw/zinc/97/37/36/836973736.db2.gz NFIHWLPRNOSFAR-UHFFFAOYSA-N 1 2 294.395 0.597 20 30 CCEDLO C=CCCC[NH+]1CCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001113025207 837002311 /nfs/dbraw/zinc/00/23/11/837002311.db2.gz IDRKPAIATSXWLZ-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113282244 837073907 /nfs/dbraw/zinc/07/39/07/837073907.db2.gz SBWKKHQBPFPUBQ-UHFFFAOYSA-N 1 2 270.373 0.496 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOCCCOC)CC1 ZINC001113509932 837138531 /nfs/dbraw/zinc/13/85/31/837138531.db2.gz QYPIUQVRMKOQOV-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(OC)c(C#N)cn2)C[NH2+]1 ZINC001158251960 838008633 /nfs/dbraw/zinc/00/86/33/838008633.db2.gz WZBPEAMIDBEEFH-ZJUUUORDSA-N 1 2 276.296 0.277 20 30 CCEDLO Cc1cncn1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001131380325 838075288 /nfs/dbraw/zinc/07/52/88/838075288.db2.gz JNCARRLOCGCSFA-UHFFFAOYSA-N 1 2 297.362 0.969 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131871345 838250835 /nfs/dbraw/zinc/25/08/35/838250835.db2.gz QXSYORNIMROFPG-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131871345 838250841 /nfs/dbraw/zinc/25/08/41/838250841.db2.gz QXSYORNIMROFPG-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1csnn1 ZINC001131867749 838254701 /nfs/dbraw/zinc/25/47/01/838254701.db2.gz VJASKHUOFSVALZ-ZDUSSCGKSA-N 1 2 298.412 0.973 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132653851 838459174 /nfs/dbraw/zinc/45/91/74/838459174.db2.gz STCWVHIPDXHMOU-NSHDSACASA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNCC#N ZINC001133134315 838560011 /nfs/dbraw/zinc/56/00/11/838560011.db2.gz CJLHMCVGOHQSQV-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nc(CC)no2)c1 ZINC001133597359 838678136 /nfs/dbraw/zinc/67/81/36/838678136.db2.gz OZFVCZHYYBBENO-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)NCC#N ZINC001135074338 839151276 /nfs/dbraw/zinc/15/12/76/839151276.db2.gz MCOCASDUZZQWQJ-NEPJUHHUSA-N 1 2 277.372 0.749 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1CNCC#N ZINC001185502276 844425914 /nfs/dbraw/zinc/42/59/14/844425914.db2.gz LHHJEYAGRPRAHA-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CCC)C2)nn1 ZINC001185842552 844467641 /nfs/dbraw/zinc/46/76/41/844467641.db2.gz JJRYYLALOMOGHL-AWEZNQCLSA-N 1 2 289.383 0.965 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(C)C)C2)nn1 ZINC001185871498 844467800 /nfs/dbraw/zinc/46/78/00/844467800.db2.gz BVIQGYAXPQWLEE-CQSZACIVSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001143907126 839889963 /nfs/dbraw/zinc/88/99/63/839889963.db2.gz LLIPZZLSCTZJQS-CYBMUJFWSA-N 1 2 273.336 0.901 20 30 CCEDLO C#CC(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001143906883 839890064 /nfs/dbraw/zinc/89/00/64/839890064.db2.gz BUMXSZGFJVYZHA-UHFFFAOYSA-N 1 2 260.341 0.768 20 30 CCEDLO C#CC(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001143906883 839890068 /nfs/dbraw/zinc/89/00/68/839890068.db2.gz BUMXSZGFJVYZHA-UHFFFAOYSA-N 1 2 260.341 0.768 20 30 CCEDLO C=C(C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC001144212977 839977247 /nfs/dbraw/zinc/97/72/47/839977247.db2.gz COXXGVYDQOSRRK-MRVPVSSYSA-N 1 2 263.219 0.548 20 30 CCEDLO C=C(C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001144212977 839977253 /nfs/dbraw/zinc/97/72/53/839977253.db2.gz COXXGVYDQOSRRK-MRVPVSSYSA-N 1 2 263.219 0.548 20 30 CCEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1noc(C(N)=O)n1 ZINC001171186904 840056361 /nfs/dbraw/zinc/05/63/61/840056361.db2.gz ZWQZQOLUGNOJLI-SECBINFHSA-N 1 2 285.307 0.761 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000690428195 840064356 /nfs/dbraw/zinc/06/43/56/840064356.db2.gz DAZZEZBBFKNCHX-CQSZACIVSA-N 1 2 271.324 0.852 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000690428195 840064358 /nfs/dbraw/zinc/06/43/58/840064358.db2.gz DAZZEZBBFKNCHX-CQSZACIVSA-N 1 2 271.324 0.852 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001148933748 840906028 /nfs/dbraw/zinc/90/60/28/840906028.db2.gz DAACFQBRTBGKBL-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)COC)C1 ZINC001148933748 840906037 /nfs/dbraw/zinc/90/60/37/840906037.db2.gz DAACFQBRTBGKBL-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](C[C@@H](C)C(F)(F)F)C2 ZINC001273447997 840928971 /nfs/dbraw/zinc/92/89/71/840928971.db2.gz ZEULHBXZIDHKBB-SNVBAGLBSA-N 1 2 290.285 0.731 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC001171363077 840951628 /nfs/dbraw/zinc/95/16/28/840951628.db2.gz QITFUDHLUDAEMU-GWCFXTLKSA-N 1 2 292.339 0.566 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001098344327 840958666 /nfs/dbraw/zinc/95/86/66/840958666.db2.gz JYGWDCFWXPDVID-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccncc1C#N ZINC001098344327 840958669 /nfs/dbraw/zinc/95/86/69/840958669.db2.gz JYGWDCFWXPDVID-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001093513501 841299285 /nfs/dbraw/zinc/29/92/85/841299285.db2.gz PTJANRWGWWGKSA-LBPRGKRZSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093692613 841428613 /nfs/dbraw/zinc/42/86/13/841428613.db2.gz DUIJONRRRNNJRT-SNVBAGLBSA-N 1 2 264.329 0.904 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCNc1ccc(C#N)nc1 ZINC001093750417 841449022 /nfs/dbraw/zinc/44/90/22/841449022.db2.gz ZBLCSBQYSHOJMR-UHFFFAOYSA-N 1 2 284.323 0.458 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1nccnc1C#N)n1cc[nH+]c1 ZINC001094168011 841553383 /nfs/dbraw/zinc/55/33/83/841553383.db2.gz SFCGVFNNBXWBJI-NSHDSACASA-N 1 2 299.338 0.724 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1ccncc1C#N ZINC001094301703 841604135 /nfs/dbraw/zinc/60/41/35/841604135.db2.gz IMJXUHWKDBIAIG-UHFFFAOYSA-N 1 2 298.350 0.270 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001094406751 841636988 /nfs/dbraw/zinc/63/69/88/841636988.db2.gz LFTXQUATXIBRMO-UHFFFAOYSA-N 1 2 298.350 0.649 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccco3)CC2=O)C1 ZINC001094697762 841709399 /nfs/dbraw/zinc/70/93/99/841709399.db2.gz REEGXSZFXOWPJQ-LLVKDONJSA-N 1 2 289.335 0.481 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC3(C)C)CC2=O)C1 ZINC001094726518 841712510 /nfs/dbraw/zinc/71/25/10/841712510.db2.gz RGSTVDMEMKYKGM-WCQYABFASA-N 1 2 291.395 0.620 20 30 CCEDLO N#Cc1cnccc1NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001110169044 842049241 /nfs/dbraw/zinc/04/92/41/842049241.db2.gz DTXPZBDLTPKMIV-UHFFFAOYSA-N 1 2 296.334 0.333 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(CC(F)(F)F)CC1 ZINC001173667566 842127951 /nfs/dbraw/zinc/12/79/51/842127951.db2.gz ZKUTXULVVJXLGI-LLVKDONJSA-N 1 2 276.306 0.810 20 30 CCEDLO C#Cc1cnc(NC(=O)CCn2cc[nH+]c2)c(C#C)n1 ZINC001176873414 842433885 /nfs/dbraw/zinc/43/38/85/842433885.db2.gz MIXBCSXBDQQFRF-UHFFFAOYSA-N 1 2 265.276 0.665 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019801 842485494 /nfs/dbraw/zinc/48/54/94/842485494.db2.gz SAGRARQKJCEGPR-HOTGVXAUSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019801 842485496 /nfs/dbraw/zinc/48/54/96/842485496.db2.gz SAGRARQKJCEGPR-HOTGVXAUSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177089207 842506342 /nfs/dbraw/zinc/50/63/42/842506342.db2.gz UPYXCHUBAXSEOO-LLVKDONJSA-N 1 2 292.339 0.595 20 30 CCEDLO C#CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177089207 842506349 /nfs/dbraw/zinc/50/63/49/842506349.db2.gz UPYXCHUBAXSEOO-LLVKDONJSA-N 1 2 292.339 0.595 20 30 CCEDLO N#Cc1cnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001178100269 842754641 /nfs/dbraw/zinc/75/46/41/842754641.db2.gz KMONRVPVWDTGFK-VIFPVBQESA-N 1 2 268.280 0.746 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2O)CC1 ZINC001181080241 843404768 /nfs/dbraw/zinc/40/47/68/843404768.db2.gz CESONLBCHUCVOA-STQMWFEESA-N 1 2 252.358 0.868 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182495989 843846334 /nfs/dbraw/zinc/84/63/34/843846334.db2.gz BIKVJRISNOHNDY-LLVKDONJSA-N 1 2 294.380 0.269 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001110395150 844737615 /nfs/dbraw/zinc/73/76/15/844737615.db2.gz XMTPCPSPDKMMBL-UNJBNNCHSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001110395150 844737620 /nfs/dbraw/zinc/73/76/20/844737620.db2.gz XMTPCPSPDKMMBL-UNJBNNCHSA-N 1 2 287.367 0.801 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001188310194 844863267 /nfs/dbraw/zinc/86/32/67/844863267.db2.gz QYNYMJYKQQUFCH-WDEREUQCSA-N 1 2 296.396 0.820 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189278781 845091622 /nfs/dbraw/zinc/09/16/22/845091622.db2.gz CJDHWWOVFYHTGH-LLVKDONJSA-N 1 2 293.371 0.107 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189278781 845091629 /nfs/dbraw/zinc/09/16/29/845091629.db2.gz CJDHWWOVFYHTGH-LLVKDONJSA-N 1 2 293.371 0.107 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001190285092 845386773 /nfs/dbraw/zinc/38/67/73/845386773.db2.gz LCZFIOSUGWOXSB-UHFFFAOYSA-N 1 2 261.391 0.280 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191408106 845644576 /nfs/dbraw/zinc/64/45/76/845644576.db2.gz CYQVHSUIKLWAOG-PUCGFSNJSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191408106 845644586 /nfs/dbraw/zinc/64/45/86/845644586.db2.gz CYQVHSUIKLWAOG-PUCGFSNJSA-N 1 2 292.379 0.154 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001191724510 845716823 /nfs/dbraw/zinc/71/68/23/845716823.db2.gz ISURQMUVEKGIND-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001191724510 845716826 /nfs/dbraw/zinc/71/68/26/845716826.db2.gz ISURQMUVEKGIND-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC001191724448 845717639 /nfs/dbraw/zinc/71/76/39/845717639.db2.gz FUSBTUWJXYHCIR-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC001191724448 845717643 /nfs/dbraw/zinc/71/76/43/845717643.db2.gz FUSBTUWJXYHCIR-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001191853134 845742146 /nfs/dbraw/zinc/74/21/46/845742146.db2.gz BKQSUCTUJZBRRV-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001191853134 845742149 /nfs/dbraw/zinc/74/21/49/845742149.db2.gz BKQSUCTUJZBRRV-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C[NH+]1CCN(c2ccc(NS(=O)(=O)CC#N)nc2)CC1 ZINC001192935444 845941889 /nfs/dbraw/zinc/94/18/89/845941889.db2.gz RMQRRSXXSHMUAR-UHFFFAOYSA-N 1 2 295.368 0.099 20 30 CCEDLO CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001273654951 846034887 /nfs/dbraw/zinc/03/48/87/846034887.db2.gz JMPFZZYINAHQAH-OLZOCXBDSA-N 1 2 295.383 0.532 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc(=O)[nH]c2C)CC1 ZINC001194172830 846231051 /nfs/dbraw/zinc/23/10/51/846231051.db2.gz OHWUBTFZKGDMJO-UHFFFAOYSA-N 1 2 262.313 0.434 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](OC)C1CC1)CO2 ZINC001273695713 846495884 /nfs/dbraw/zinc/49/58/84/846495884.db2.gz HLVMOQOSGAJFJQ-KGLIPLIRSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NC(=O)OCC)CC1 ZINC001195469108 846546898 /nfs/dbraw/zinc/54/68/98/846546898.db2.gz DXOTWCUZGSGETN-UHFFFAOYSA-N 1 2 257.359 0.821 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195753970 846607957 /nfs/dbraw/zinc/60/79/57/846607957.db2.gz GEYIKZLGZQIXSC-GFCCVEGCSA-N 1 2 265.357 0.054 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195753970 846607963 /nfs/dbraw/zinc/60/79/63/846607963.db2.gz GEYIKZLGZQIXSC-GFCCVEGCSA-N 1 2 265.357 0.054 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195780264 846623017 /nfs/dbraw/zinc/62/30/17/846623017.db2.gz APIFWLZBJGZNEM-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195780264 846623025 /nfs/dbraw/zinc/62/30/25/846623025.db2.gz APIFWLZBJGZNEM-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001195932150 846651736 /nfs/dbraw/zinc/65/17/36/846651736.db2.gz HWZYWSLVKPLNKF-YRGRVCCFSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001195932150 846651746 /nfs/dbraw/zinc/65/17/46/846651746.db2.gz HWZYWSLVKPLNKF-YRGRVCCFSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001196467900 846750985 /nfs/dbraw/zinc/75/09/85/846750985.db2.gz ARCLAAIYTNYOAO-VXGBXAGGSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001196467900 846750990 /nfs/dbraw/zinc/75/09/90/846750990.db2.gz ARCLAAIYTNYOAO-VXGBXAGGSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001196542686 846769693 /nfs/dbraw/zinc/76/96/93/846769693.db2.gz AJXJVGLFOPTQDK-KFWWJZLASA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001196542686 846769697 /nfs/dbraw/zinc/76/96/97/846769697.db2.gz AJXJVGLFOPTQDK-KFWWJZLASA-N 1 2 294.395 0.519 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001197195408 846871198 /nfs/dbraw/zinc/87/11/98/846871198.db2.gz BMDQGIDJVGKPNE-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001197195408 846871201 /nfs/dbraw/zinc/87/12/01/846871201.db2.gz BMDQGIDJVGKPNE-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197216128 846881969 /nfs/dbraw/zinc/88/19/69/846881969.db2.gz ZNIBIQBVYSABTE-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197216128 846881972 /nfs/dbraw/zinc/88/19/72/846881972.db2.gz ZNIBIQBVYSABTE-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001197291896 846892972 /nfs/dbraw/zinc/89/29/72/846892972.db2.gz PFDFASJIOUTODP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001197291896 846892986 /nfs/dbraw/zinc/89/29/86/846892986.db2.gz PFDFASJIOUTODP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)Cc2cccnc2)CC1 ZINC001197492607 846924412 /nfs/dbraw/zinc/92/44/12/846924412.db2.gz XUVGMFGWTZPYPA-UHFFFAOYSA-N 1 2 294.380 0.489 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001198304831 847083541 /nfs/dbraw/zinc/08/35/41/847083541.db2.gz NAXCVFGLJMBFNH-NWANDNLSSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001198304831 847083550 /nfs/dbraw/zinc/08/35/50/847083550.db2.gz NAXCVFGLJMBFNH-NWANDNLSSA-N 1 2 288.347 0.248 20 30 CCEDLO Cc1ccc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001198341414 847090318 /nfs/dbraw/zinc/09/03/18/847090318.db2.gz DEDKTTZCAREYAS-UHFFFAOYSA-N 1 2 294.380 0.656 20 30 CCEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543443 847465241 /nfs/dbraw/zinc/46/52/41/847465241.db2.gz RLYRREGXVIZIHM-UPJWGTAASA-N 1 2 291.395 0.503 20 30 CCEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543443 847465248 /nfs/dbraw/zinc/46/52/48/847465248.db2.gz RLYRREGXVIZIHM-UPJWGTAASA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)no1 ZINC001273816488 847569828 /nfs/dbraw/zinc/56/98/28/847569828.db2.gz TYUFKLOCNJGNTH-VXGBXAGGSA-N 1 2 274.324 0.577 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)no1 ZINC001273816488 847569834 /nfs/dbraw/zinc/56/98/34/847569834.db2.gz TYUFKLOCNJGNTH-VXGBXAGGSA-N 1 2 274.324 0.577 20 30 CCEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001273822182 847591682 /nfs/dbraw/zinc/59/16/82/847591682.db2.gz JBFPJLRABLEIIA-GFCCVEGCSA-N 1 2 289.383 0.719 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)o3)C[C@@H](C1)O2 ZINC001273822524 847606575 /nfs/dbraw/zinc/60/65/75/847606575.db2.gz PHXZCGVKDAAYLR-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)o3)C[C@@H](C1)O2 ZINC001273822524 847606582 /nfs/dbraw/zinc/60/65/82/847606582.db2.gz PHXZCGVKDAAYLR-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001273881221 847723803 /nfs/dbraw/zinc/72/38/03/847723803.db2.gz LGMJKVIUIIUICY-SECBINFHSA-N 1 2 294.273 0.009 20 30 CCEDLO COC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001273931812 847861236 /nfs/dbraw/zinc/86/12/36/847861236.db2.gz VJKYIMBLXYCMRW-VXGBXAGGSA-N 1 2 279.340 0.528 20 30 CCEDLO COC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001273931812 847861238 /nfs/dbraw/zinc/86/12/38/847861238.db2.gz VJKYIMBLXYCMRW-VXGBXAGGSA-N 1 2 279.340 0.528 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110594465 847911823 /nfs/dbraw/zinc/91/18/23/847911823.db2.gz WUOFUORLIYKHAB-MCIONIFRSA-N 1 2 291.395 0.962 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110594465 847911824 /nfs/dbraw/zinc/91/18/24/847911824.db2.gz WUOFUORLIYKHAB-MCIONIFRSA-N 1 2 291.395 0.962 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001153135477 847932856 /nfs/dbraw/zinc/93/28/56/847932856.db2.gz UOESXWSADDXGKN-VIFPVBQESA-N 1 2 270.358 0.335 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001275818410 848835419 /nfs/dbraw/zinc/83/54/19/848835419.db2.gz JICJHCOZRGAQIR-DOMZBBRYSA-N 1 2 294.399 0.684 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001275818410 848835421 /nfs/dbraw/zinc/83/54/21/848835421.db2.gz JICJHCOZRGAQIR-DOMZBBRYSA-N 1 2 294.399 0.684 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCC(C)C)C1 ZINC001276027743 848895930 /nfs/dbraw/zinc/89/59/30/848895930.db2.gz ILJUBCSMTOXTQW-UHFFFAOYSA-N 1 2 266.385 0.999 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001276076107 848917358 /nfs/dbraw/zinc/91/73/58/848917358.db2.gz SPKICSYWRGLYFX-SNVBAGLBSA-N 1 2 292.301 0.761 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001253573011 849504340 /nfs/dbraw/zinc/50/43/40/849504340.db2.gz RCKYZNSBYKTEKQ-HLTSFMKQSA-N 1 2 257.227 0.871 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001253573011 849504341 /nfs/dbraw/zinc/50/43/41/849504341.db2.gz RCKYZNSBYKTEKQ-HLTSFMKQSA-N 1 2 257.227 0.871 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001038364184 849863379 /nfs/dbraw/zinc/86/33/79/849863379.db2.gz ROBKTRQOOWJYSH-UONOGXRCSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001038364184 849863388 /nfs/dbraw/zinc/86/33/88/849863388.db2.gz ROBKTRQOOWJYSH-UONOGXRCSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001038369908 849867340 /nfs/dbraw/zinc/86/73/40/849867340.db2.gz YLKSJJPKJRMVCH-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001038369908 849867350 /nfs/dbraw/zinc/86/73/50/849867350.db2.gz YLKSJJPKJRMVCH-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038382533 849872636 /nfs/dbraw/zinc/87/26/36/849872636.db2.gz DEAQXRNABMHTQL-ZDUSSCGKSA-N 1 2 268.320 0.952 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038382533 849872643 /nfs/dbraw/zinc/87/26/43/849872643.db2.gz DEAQXRNABMHTQL-ZDUSSCGKSA-N 1 2 268.320 0.952 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001038380386 849874804 /nfs/dbraw/zinc/87/48/04/849874804.db2.gz MUCJKNXXFJOWKB-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001038380386 849874810 /nfs/dbraw/zinc/87/48/10/849874810.db2.gz MUCJKNXXFJOWKB-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038400686 849879814 /nfs/dbraw/zinc/87/98/14/849879814.db2.gz MYWANCHQYNDHAS-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038400686 849879820 /nfs/dbraw/zinc/87/98/20/849879820.db2.gz MYWANCHQYNDHAS-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(cc[nH]c2=O)n1 ZINC001038425623 849893562 /nfs/dbraw/zinc/89/35/62/849893562.db2.gz BOSQBTNKWWBGJT-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(cc[nH]c2=O)n1 ZINC001038425623 849893569 /nfs/dbraw/zinc/89/35/69/849893569.db2.gz BOSQBTNKWWBGJT-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001038429282 849893972 /nfs/dbraw/zinc/89/39/72/849893972.db2.gz MMUPQQVAJUOFPG-LBPRGKRZSA-N 1 2 288.351 0.719 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001038429282 849893982 /nfs/dbraw/zinc/89/39/82/849893982.db2.gz MMUPQQVAJUOFPG-LBPRGKRZSA-N 1 2 288.351 0.719 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038434977 849895458 /nfs/dbraw/zinc/89/54/58/849895458.db2.gz LFKCNBMXGVHBBP-AWEZNQCLSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038434977 849895464 /nfs/dbraw/zinc/89/54/64/849895464.db2.gz LFKCNBMXGVHBBP-AWEZNQCLSA-N 1 2 297.362 0.865 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCN1CC#N)C2 ZINC001038432398 849896677 /nfs/dbraw/zinc/89/66/77/849896677.db2.gz VDVBWSFLBMQMNG-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCN1CC#N)CC2 ZINC001038432398 849896682 /nfs/dbraw/zinc/89/66/82/849896682.db2.gz VDVBWSFLBMQMNG-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038450298 849904656 /nfs/dbraw/zinc/90/46/56/849904656.db2.gz ITRSGSRFGYOQJO-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038450298 849904669 /nfs/dbraw/zinc/90/46/69/849904669.db2.gz ITRSGSRFGYOQJO-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038476768 849917652 /nfs/dbraw/zinc/91/76/52/849917652.db2.gz QWTKGNHUXLVXIE-UKRRQHHQSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038476768 849917660 /nfs/dbraw/zinc/91/76/60/849917660.db2.gz QWTKGNHUXLVXIE-UKRRQHHQSA-N 1 2 270.332 0.814 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038490436 849920949 /nfs/dbraw/zinc/92/09/49/849920949.db2.gz TXADRKYETSJVBI-JTQLQIEISA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038490436 849920960 /nfs/dbraw/zinc/92/09/60/849920960.db2.gz TXADRKYETSJVBI-JTQLQIEISA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038515973 849928731 /nfs/dbraw/zinc/92/87/31/849928731.db2.gz VGDQLBGOZBTCNR-ZDUSSCGKSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038515973 849928738 /nfs/dbraw/zinc/92/87/38/849928738.db2.gz VGDQLBGOZBTCNR-ZDUSSCGKSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038518273 849930228 /nfs/dbraw/zinc/93/02/28/849930228.db2.gz YXEFTUMCCCPLJE-GFCCVEGCSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038518273 849930235 /nfs/dbraw/zinc/93/02/35/849930235.db2.gz YXEFTUMCCCPLJE-GFCCVEGCSA-N 1 2 295.346 0.852 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001038551277 849940353 /nfs/dbraw/zinc/94/03/53/849940353.db2.gz WWRGIPGPSYTEQP-LBPRGKRZSA-N 1 2 299.334 0.512 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001038551277 849940360 /nfs/dbraw/zinc/94/03/60/849940360.db2.gz WWRGIPGPSYTEQP-LBPRGKRZSA-N 1 2 299.334 0.512 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001038699933 849986071 /nfs/dbraw/zinc/98/60/71/849986071.db2.gz OZFPYMLHOHUEON-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001038699933 849986075 /nfs/dbraw/zinc/98/60/75/849986075.db2.gz OZFPYMLHOHUEON-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707655 849991116 /nfs/dbraw/zinc/99/11/16/849991116.db2.gz ZPFDYDXLKGEOAG-LLVKDONJSA-N 1 2 275.356 0.470 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707655 849991123 /nfs/dbraw/zinc/99/11/23/849991123.db2.gz ZPFDYDXLKGEOAG-LLVKDONJSA-N 1 2 275.356 0.470 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038852282 850049614 /nfs/dbraw/zinc/04/96/14/850049614.db2.gz GGDSSROAGBEPHN-ZDUSSCGKSA-N 1 2 287.367 0.516 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038852282 850049621 /nfs/dbraw/zinc/04/96/21/850049621.db2.gz GGDSSROAGBEPHN-ZDUSSCGKSA-N 1 2 287.367 0.516 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038933130 850089363 /nfs/dbraw/zinc/08/93/63/850089363.db2.gz CTBADCAPDFSVBG-JTQLQIEISA-N 1 2 286.291 0.767 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038933130 850089371 /nfs/dbraw/zinc/08/93/71/850089371.db2.gz CTBADCAPDFSVBG-JTQLQIEISA-N 1 2 286.291 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038950498 850099196 /nfs/dbraw/zinc/09/91/96/850099196.db2.gz PKVKADOMOBSLHM-JTQLQIEISA-N 1 2 257.297 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038950498 850099204 /nfs/dbraw/zinc/09/92/04/850099204.db2.gz PKVKADOMOBSLHM-JTQLQIEISA-N 1 2 257.297 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC ZINC001038950204 850099224 /nfs/dbraw/zinc/09/92/24/850099224.db2.gz LJRNYIORENCREW-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC ZINC001038950204 850099238 /nfs/dbraw/zinc/09/92/38/850099238.db2.gz LJRNYIORENCREW-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001039004654 850117419 /nfs/dbraw/zinc/11/74/19/850117419.db2.gz DHPBZTVWJAFHSW-ZDUSSCGKSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001039004654 850117424 /nfs/dbraw/zinc/11/74/24/850117424.db2.gz DHPBZTVWJAFHSW-ZDUSSCGKSA-N 1 2 286.335 0.615 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001039039627 850132749 /nfs/dbraw/zinc/13/27/49/850132749.db2.gz OGKYUDCOWMZRDC-ZIAGYGMSSA-N 1 2 281.400 0.474 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001039039627 850132751 /nfs/dbraw/zinc/13/27/51/850132751.db2.gz OGKYUDCOWMZRDC-ZIAGYGMSSA-N 1 2 281.400 0.474 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC001039088352 850152365 /nfs/dbraw/zinc/15/23/65/850152365.db2.gz BCOUQQUTQDBSTG-OLZOCXBDSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC001039088352 850152371 /nfs/dbraw/zinc/15/23/71/850152371.db2.gz BCOUQQUTQDBSTG-OLZOCXBDSA-N 1 2 262.353 0.627 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 ZINC001041953872 850539112 /nfs/dbraw/zinc/53/91/12/850539112.db2.gz PFAXQSMVRBOLGH-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 ZINC001041953872 850539123 /nfs/dbraw/zinc/53/91/23/850539123.db2.gz PFAXQSMVRBOLGH-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(CC#N)[C@H]2C1 ZINC001042310911 850612275 /nfs/dbraw/zinc/61/22/75/850612275.db2.gz ZRVCVIPPSPYJGO-JSGCOSHPSA-N 1 2 287.367 0.409 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2=COCCO2)C1 ZINC001042439105 850645598 /nfs/dbraw/zinc/64/55/98/850645598.db2.gz JOBKLEXXKVQRAU-UHFFFAOYSA-N 1 2 250.298 0.041 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC001042517391 850677726 /nfs/dbraw/zinc/67/77/26/850677726.db2.gz PSXQZPWYGUZDSE-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001042636847 850719429 /nfs/dbraw/zinc/71/94/29/850719429.db2.gz URHPFIKPWKTPPC-NSHDSACASA-N 1 2 263.345 0.558 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001043007002 850794118 /nfs/dbraw/zinc/79/41/18/850794118.db2.gz VGFFJNRDSBHCLI-UHFFFAOYSA-N 1 2 250.302 0.366 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001043140819 850820489 /nfs/dbraw/zinc/82/04/89/850820489.db2.gz RECXYFODRFTWAU-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2CC)C1 ZINC001043215095 850837669 /nfs/dbraw/zinc/83/76/69/850837669.db2.gz RUBULJLHUVJMMS-UHFFFAOYSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3ncnn32)C1 ZINC001043239022 850842249 /nfs/dbraw/zinc/84/22/49/850842249.db2.gz ZDFWACAKIJFJCB-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001043673327 850920315 /nfs/dbraw/zinc/92/03/15/850920315.db2.gz FGAGNQAOENBNQO-NSHDSACASA-N 1 2 275.356 0.553 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cncn2C)C1 ZINC001044187320 851034005 /nfs/dbraw/zinc/03/40/05/851034005.db2.gz ADBWAHXGDHNBFV-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001044242725 851050112 /nfs/dbraw/zinc/05/01/12/851050112.db2.gz OSFJSZOGNIMWPF-UHFFFAOYSA-N 1 2 260.341 0.752 20 30 CCEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046015209 851353420 /nfs/dbraw/zinc/35/34/20/851353420.db2.gz MBRYSOIGDYDRJL-DZGCQCFKSA-N 1 2 290.411 0.775 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001047392486 851750831 /nfs/dbraw/zinc/75/08/31/851750831.db2.gz LAUNIRVKANEXIS-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001047392486 851750840 /nfs/dbraw/zinc/75/08/40/851750840.db2.gz LAUNIRVKANEXIS-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2C(C)C)C1 ZINC001047443364 851767149 /nfs/dbraw/zinc/76/71/49/851767149.db2.gz TVGNKGIQOQUCAP-STQMWFEESA-N 1 2 290.367 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2C(C)C)C1 ZINC001047443364 851767157 /nfs/dbraw/zinc/76/71/57/851767157.db2.gz TVGNKGIQOQUCAP-STQMWFEESA-N 1 2 290.367 0.283 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001048901168 852101614 /nfs/dbraw/zinc/10/16/14/852101614.db2.gz WKJVLNYNLMSFGA-MELADBBJSA-N 1 2 299.378 0.359 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049933550 852399206 /nfs/dbraw/zinc/39/92/06/852399206.db2.gz QYPUDCAXJARFIV-CHWSQXEVSA-N 1 2 273.340 0.472 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372456 852531356 /nfs/dbraw/zinc/53/13/56/852531356.db2.gz CHLCMCMFEZAJGM-GBOPCIDUSA-N 1 2 299.378 0.691 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn[nH]n1)O2 ZINC001053619530 852771349 /nfs/dbraw/zinc/77/13/49/852771349.db2.gz CAQBZHUETSFWLX-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn[nH]1)O2 ZINC001053619530 852771351 /nfs/dbraw/zinc/77/13/51/852771351.db2.gz CAQBZHUETSFWLX-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC1)CO2 ZINC001053719846 852787225 /nfs/dbraw/zinc/78/72/25/852787225.db2.gz IRUGDIICCMBSTL-ZDUSSCGKSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)c1)CO2 ZINC001053736540 852795190 /nfs/dbraw/zinc/79/51/90/852795190.db2.gz WFVQYMZUYOWSKO-ZDUSSCGKSA-N 1 2 288.351 0.017 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ncccc1C#N ZINC001097955142 852997757 /nfs/dbraw/zinc/99/77/57/852997757.db2.gz DSFWZAWNCJLXAJ-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 ZINC001097975021 853059724 /nfs/dbraw/zinc/05/97/24/853059724.db2.gz GLSIMBFLLQZPSP-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO N#Cc1cnccc1N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001055881483 853127741 /nfs/dbraw/zinc/12/77/41/853127741.db2.gz NGDZUACHYGDMDS-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001050919014 853487260 /nfs/dbraw/zinc/48/72/60/853487260.db2.gz ZGGBCIWKKOMZES-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001050919014 853487264 /nfs/dbraw/zinc/48/72/64/853487264.db2.gz ZGGBCIWKKOMZES-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001051104569 853525040 /nfs/dbraw/zinc/52/50/40/853525040.db2.gz YWHSNWPRGJJTGO-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001051104569 853525049 /nfs/dbraw/zinc/52/50/49/853525049.db2.gz YWHSNWPRGJJTGO-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC)C2)CC1 ZINC001051957662 853662577 /nfs/dbraw/zinc/66/25/77/853662577.db2.gz KPBALYGUWHAVLD-AWEZNQCLSA-N 1 2 263.385 0.638 20 30 CCEDLO CC[C@H](CC#N)N1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC001255174152 853780397 /nfs/dbraw/zinc/78/03/97/853780397.db2.gz SDLMGRGUQFGGHT-LLVKDONJSA-N 1 2 252.362 0.560 20 30 CCEDLO CC[C@H](CC#N)N1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC001255174152 853780401 /nfs/dbraw/zinc/78/04/01/853780401.db2.gz SDLMGRGUQFGGHT-LLVKDONJSA-N 1 2 252.362 0.560 20 30 CCEDLO N#Cc1cccnc1N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001058393155 853837954 /nfs/dbraw/zinc/83/79/54/853837954.db2.gz PVORLWBXAKSHBB-CYBMUJFWSA-N 1 2 296.334 0.545 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001058392983 853838438 /nfs/dbraw/zinc/83/84/38/853838438.db2.gz LYTJLIMCOXSKLA-CYBMUJFWSA-N 1 2 296.334 0.545 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069896604 853996418 /nfs/dbraw/zinc/99/64/18/853996418.db2.gz YGIJADZLVDHOQP-KGLIPLIRSA-N 1 2 299.334 0.550 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069896604 853996423 /nfs/dbraw/zinc/99/64/23/853996423.db2.gz YGIJADZLVDHOQP-KGLIPLIRSA-N 1 2 299.334 0.550 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCC#N ZINC001070613713 854080984 /nfs/dbraw/zinc/08/09/84/854080984.db2.gz UBDSMUVXYKDRJH-GHMZBOCLSA-N 1 2 293.346 0.576 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c2)CC1 ZINC001070965445 854109856 /nfs/dbraw/zinc/10/98/56/854109856.db2.gz BYOKOOSXZYOHTK-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c2)CC1 ZINC001070965445 854109860 /nfs/dbraw/zinc/10/98/60/854109860.db2.gz BYOKOOSXZYOHTK-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001071340155 854160929 /nfs/dbraw/zinc/16/09/29/854160929.db2.gz KQJCJYJKHWLXME-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001071340155 854160933 /nfs/dbraw/zinc/16/09/33/854160933.db2.gz KQJCJYJKHWLXME-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071804210 854297644 /nfs/dbraw/zinc/29/76/44/854297644.db2.gz YIEHTJXVUGQJOM-WDEREUQCSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071804210 854297652 /nfs/dbraw/zinc/29/76/52/854297652.db2.gz YIEHTJXVUGQJOM-WDEREUQCSA-N 1 2 278.356 0.894 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545547 854585422 /nfs/dbraw/zinc/58/54/22/854585422.db2.gz QDTYZJVPIODNCH-LBPRGKRZSA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545547 854585432 /nfs/dbraw/zinc/58/54/32/854585432.db2.gz QDTYZJVPIODNCH-LBPRGKRZSA-N 1 2 298.774 0.983 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001074159075 854681877 /nfs/dbraw/zinc/68/18/77/854681877.db2.gz YFMCDDCYVSJFIJ-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001074159075 854681880 /nfs/dbraw/zinc/68/18/80/854681880.db2.gz YFMCDDCYVSJFIJ-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074245506 854704393 /nfs/dbraw/zinc/70/43/93/854704393.db2.gz POKAYXYSURCTGS-LSDHHAIUSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074245506 854704396 /nfs/dbraw/zinc/70/43/96/854704396.db2.gz POKAYXYSURCTGS-LSDHHAIUSA-N 1 2 287.363 0.953 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001098344843 854859261 /nfs/dbraw/zinc/85/92/61/854859261.db2.gz WXAZQVAAQFRKIK-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1cnc(C#N)cn1 ZINC001098344843 854859264 /nfs/dbraw/zinc/85/92/64/854859264.db2.gz WXAZQVAAQFRKIK-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001098733540 854878560 /nfs/dbraw/zinc/87/85/60/854878560.db2.gz LSGWJXYEPIKMHY-KGLIPLIRSA-N 1 2 299.378 0.574 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001100036038 855079198 /nfs/dbraw/zinc/07/91/98/855079198.db2.gz XWUGDURQPYIKHU-UHFFFAOYSA-N 1 2 284.323 0.851 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001101673014 855339904 /nfs/dbraw/zinc/33/99/04/855339904.db2.gz RTAWLXXPPXRBHI-UHFFFAOYSA-N 1 2 284.323 0.142 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001101695314 855345439 /nfs/dbraw/zinc/34/54/39/855345439.db2.gz WZMZTQQEVYITMW-UHFFFAOYSA-N 1 2 298.350 0.222 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001101826281 855374887 /nfs/dbraw/zinc/37/48/87/855374887.db2.gz ADQKQLXWHGNNJL-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001101826281 855374891 /nfs/dbraw/zinc/37/48/91/855374891.db2.gz ADQKQLXWHGNNJL-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO CN(CCNc1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975302 855402683 /nfs/dbraw/zinc/40/26/83/855402683.db2.gz TVHZVXFOGVHGPO-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021229 855408157 /nfs/dbraw/zinc/40/81/57/855408157.db2.gz HDRRZDSXVHMXFZ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021229 855408163 /nfs/dbraw/zinc/40/81/63/855408163.db2.gz HDRRZDSXVHMXFZ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001103161851 855501589 /nfs/dbraw/zinc/50/15/89/855501589.db2.gz LWCSYSVOKNZCIY-LBPRGKRZSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1cnc(C#N)cn1 ZINC001104001789 855559924 /nfs/dbraw/zinc/55/99/24/855559924.db2.gz CJDMNTVSRJPFEU-LLVKDONJSA-N 1 2 299.338 0.409 20 30 CCEDLO N#Cc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC001116990839 855889167 /nfs/dbraw/zinc/88/91/67/855889167.db2.gz OCYNLTCRITVPIU-UHFFFAOYSA-N 1 2 297.318 0.187 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001117786009 856078480 /nfs/dbraw/zinc/07/84/80/856078480.db2.gz DEFSLMGENKTYJM-QWRGUYRKSA-N 1 2 260.297 0.196 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001119288227 856613220 /nfs/dbraw/zinc/61/32/20/856613220.db2.gz ZJTCMUUHYDFVER-GFCCVEGCSA-N 1 2 275.352 0.965 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001119288227 856613225 /nfs/dbraw/zinc/61/32/25/856613225.db2.gz ZJTCMUUHYDFVER-GFCCVEGCSA-N 1 2 275.352 0.965 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001119980045 856945771 /nfs/dbraw/zinc/94/57/71/856945771.db2.gz TUTWCAHLJGZFLX-LLVKDONJSA-N 1 2 298.350 0.600 20 30 CCEDLO COCCC1N=NC(=S)N1N=Cc1c[nH+]c(C)n1C ZINC001328010157 914923740 /nfs/dbraw/zinc/92/37/40/914923740.db2.gz NXEQWLVTPJDOFB-UHFFFAOYSA-N 1 2 280.357 0.680 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001323287847 912246630 /nfs/dbraw/zinc/24/66/30/912246630.db2.gz UZNLZNNQMDPOCB-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001323287847 912246650 /nfs/dbraw/zinc/24/66/50/912246650.db2.gz UZNLZNNQMDPOCB-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CC1CCCC1 ZINC001323320201 912262770 /nfs/dbraw/zinc/26/27/70/912262770.db2.gz VBCWVBCAEIYYLR-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)CC1CCCC1 ZINC001323320201 912262790 /nfs/dbraw/zinc/26/27/90/912262790.db2.gz VBCWVBCAEIYYLR-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC001323800885 912526206 /nfs/dbraw/zinc/52/62/06/912526206.db2.gz KCYGQWRXDWXDPW-VIFPVBQESA-N 1 2 271.342 0.026 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CNC(=O)c2ccncc2)C1 ZINC001323930886 912586555 /nfs/dbraw/zinc/58/65/55/912586555.db2.gz KRGWYZHLSSKTOZ-UHFFFAOYSA-N 1 2 288.351 0.140 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001394134809 913028227 /nfs/dbraw/zinc/02/82/27/913028227.db2.gz ITKLUDRMYKNNDJ-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001394134809 913028242 /nfs/dbraw/zinc/02/82/42/913028242.db2.gz ITKLUDRMYKNNDJ-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001266692144 891625541 /nfs/dbraw/zinc/62/55/41/891625541.db2.gz HOJXRRORVWGTIF-UHFFFAOYSA-N 1 2 266.370 0.746 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(Cl)[nH]1 ZINC001480909538 891748267 /nfs/dbraw/zinc/74/82/67/891748267.db2.gz POCRTDSFDZNTCH-UHFFFAOYSA-N 1 2 298.774 0.632 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(Cl)[nH]1 ZINC001480909538 891748271 /nfs/dbraw/zinc/74/82/71/891748271.db2.gz POCRTDSFDZNTCH-UHFFFAOYSA-N 1 2 298.774 0.632 20 30 CCEDLO CC/C=C(\C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481027173 892076847 /nfs/dbraw/zinc/07/68/47/892076847.db2.gz AWFWWUMGVHQZBJ-YQJFHSMKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(\C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481027173 892076859 /nfs/dbraw/zinc/07/68/59/892076859.db2.gz AWFWWUMGVHQZBJ-YQJFHSMKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481035756 892098702 /nfs/dbraw/zinc/09/87/02/892098702.db2.gz LPJMKXWKEHLRSS-NEPJUHHUSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481035756 892098716 /nfs/dbraw/zinc/09/87/16/892098716.db2.gz LPJMKXWKEHLRSS-NEPJUHHUSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001267909748 892507629 /nfs/dbraw/zinc/50/76/29/892507629.db2.gz BOPGOHSBRPKWQD-QWHCGFSZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001267909748 892507644 /nfs/dbraw/zinc/50/76/44/892507644.db2.gz BOPGOHSBRPKWQD-QWHCGFSZSA-N 1 2 279.384 0.363 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001481524802 892770382 /nfs/dbraw/zinc/77/03/82/892770382.db2.gz UEYSUQDINMWOAB-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001481524802 892770387 /nfs/dbraw/zinc/77/03/87/892770387.db2.gz UEYSUQDINMWOAB-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCCOCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001481607804 892894093 /nfs/dbraw/zinc/89/40/93/892894093.db2.gz ZKLIXEOEBIDDNW-UHFFFAOYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCN2CCCC2=O)C1 ZINC001481661762 892976953 /nfs/dbraw/zinc/97/69/53/892976953.db2.gz SNGIRIBXGOCBTC-UHFFFAOYSA-N 1 2 299.802 0.799 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC=CC1 ZINC001481667319 892984775 /nfs/dbraw/zinc/98/47/75/892984775.db2.gz PMFJUOZMWOHEPL-GJZGRUSLSA-N 1 2 274.364 0.888 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC=CC1 ZINC001481667319 892984787 /nfs/dbraw/zinc/98/47/87/892984787.db2.gz PMFJUOZMWOHEPL-GJZGRUSLSA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OCC ZINC001481666882 892985514 /nfs/dbraw/zinc/98/55/14/892985514.db2.gz XSIZKJUKSXKIDP-AVGNSLFASA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OCC ZINC001481666882 892985523 /nfs/dbraw/zinc/98/55/23/892985523.db2.gz XSIZKJUKSXKIDP-AVGNSLFASA-N 1 2 250.342 0.720 20 30 CCEDLO C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001481668757 892987124 /nfs/dbraw/zinc/98/71/24/892987124.db2.gz PBPYNCQKIRNXSH-UUJPCHCISA-N 1 2 262.353 0.888 20 30 CCEDLO C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001481668757 892987136 /nfs/dbraw/zinc/98/71/36/892987136.db2.gz PBPYNCQKIRNXSH-UUJPCHCISA-N 1 2 262.353 0.888 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCOC1 ZINC001481677306 892990481 /nfs/dbraw/zinc/99/04/81/892990481.db2.gz YXPBCKLLXFPLAG-ILXRZTDVSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCOC1 ZINC001481677306 892990488 /nfs/dbraw/zinc/99/04/88/892990488.db2.gz YXPBCKLLXFPLAG-ILXRZTDVSA-N 1 2 292.379 0.348 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC001408940050 893425261 /nfs/dbraw/zinc/42/52/61/893425261.db2.gz HKQZDNNSAOPTBK-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001482203549 893534041 /nfs/dbraw/zinc/53/40/41/893534041.db2.gz WBNYGMGIQMYZLJ-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001482203549 893534055 /nfs/dbraw/zinc/53/40/55/893534055.db2.gz WBNYGMGIQMYZLJ-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001482204584 893539369 /nfs/dbraw/zinc/53/93/69/893539369.db2.gz GDTRIJPGIXLRSA-UONOGXRCSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001482204584 893539383 /nfs/dbraw/zinc/53/93/83/893539383.db2.gz GDTRIJPGIXLRSA-UONOGXRCSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001269787453 893645365 /nfs/dbraw/zinc/64/53/65/893645365.db2.gz LXJNUCGPVRBMRN-GFCCVEGCSA-N 1 2 290.367 0.101 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C/CNC(=O)C#CC(C)C)o1 ZINC001483006760 894795331 /nfs/dbraw/zinc/79/53/31/894795331.db2.gz YIFPBRIVPBBRFG-SNAWJCMRSA-N 1 2 276.340 0.799 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001483367724 895507678 /nfs/dbraw/zinc/50/76/78/895507678.db2.gz LELXYQFOSPHYBU-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001483367724 895507690 /nfs/dbraw/zinc/50/76/90/895507690.db2.gz LELXYQFOSPHYBU-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2nocc2C)C1 ZINC001484245251 896277908 /nfs/dbraw/zinc/27/79/08/896277908.db2.gz WGCQQJGBHPJYFU-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2nocc2C)C1 ZINC001484245251 896277919 /nfs/dbraw/zinc/27/79/19/896277919.db2.gz WGCQQJGBHPJYFU-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001484405387 896376623 /nfs/dbraw/zinc/37/66/23/896376623.db2.gz SRNJLNBFELETLP-BETUJISGSA-N 1 2 289.383 0.672 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001484405387 896376640 /nfs/dbraw/zinc/37/66/40/896376640.db2.gz SRNJLNBFELETLP-BETUJISGSA-N 1 2 289.383 0.672 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCCOC ZINC001484587481 896482742 /nfs/dbraw/zinc/48/27/42/896482742.db2.gz WLWXSTRLDVZLCP-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCCOC ZINC001484587481 896482750 /nfs/dbraw/zinc/48/27/50/896482750.db2.gz WLWXSTRLDVZLCP-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001484796504 896609563 /nfs/dbraw/zinc/60/95/63/896609563.db2.gz CXMHIUIMHRNQRZ-ZDUSSCGKSA-N 1 2 280.343 0.719 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(COCC)CC2)C1 ZINC001485409426 897027181 /nfs/dbraw/zinc/02/71/81/897027181.db2.gz BFSXVVUQAPENAG-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCCCO2)C1 ZINC001485404346 897037544 /nfs/dbraw/zinc/03/75/44/897037544.db2.gz WCEVPTLOUNAXJG-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001485416288 897045013 /nfs/dbraw/zinc/04/50/13/897045013.db2.gz BNGHXNBAFQQQKF-ZIAGYGMSSA-N 1 2 296.411 0.788 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC2(C)C)C1 ZINC001485500605 897086915 /nfs/dbraw/zinc/08/69/15/897086915.db2.gz KOICOFRKHDMRFX-WCQYABFASA-N 1 2 291.395 0.218 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001485582323 897126924 /nfs/dbraw/zinc/12/69/24/897126924.db2.gz OLGCVXVAQYNMPQ-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001485582323 897126930 /nfs/dbraw/zinc/12/69/30/897126930.db2.gz OLGCVXVAQYNMPQ-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869944 897402569 /nfs/dbraw/zinc/40/25/69/897402569.db2.gz KVUFNZYTNCRUFV-GOEBONIOSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869944 897402579 /nfs/dbraw/zinc/40/25/79/897402579.db2.gz KVUFNZYTNCRUFV-GOEBONIOSA-N 1 2 294.395 0.786 20 30 CCEDLO C[C@@]1(CNC(=O)CCc2[nH]cc[nH+]2)CN(CC#N)CCO1 ZINC001107908935 897481900 /nfs/dbraw/zinc/48/19/00/897481900.db2.gz RZGIUAFSPPCIPZ-CQSZACIVSA-N 1 2 291.355 0.073 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001038609897 897492170 /nfs/dbraw/zinc/49/21/70/897492170.db2.gz GHRPZKSYDWLTHV-QMMMGPOBSA-N 1 2 251.311 0.286 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001038609897 897492176 /nfs/dbraw/zinc/49/21/76/897492176.db2.gz GHRPZKSYDWLTHV-QMMMGPOBSA-N 1 2 251.311 0.286 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(C)C)CC2 ZINC001127931526 897528539 /nfs/dbraw/zinc/52/85/39/897528539.db2.gz DMNNZGVYMOBSLU-LBPRGKRZSA-N 1 2 289.383 0.478 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001107941419 897535158 /nfs/dbraw/zinc/53/51/58/897535158.db2.gz FMQXISZELAROIK-ZFWWWQNUSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001107941419 897535165 /nfs/dbraw/zinc/53/51/65/897535165.db2.gz FMQXISZELAROIK-ZFWWWQNUSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001077804708 897570823 /nfs/dbraw/zinc/57/08/23/897570823.db2.gz NJPLCUQXSPKJHR-GHMZBOCLSA-N 1 2 293.392 0.981 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001077804708 897570835 /nfs/dbraw/zinc/57/08/35/897570835.db2.gz NJPLCUQXSPKJHR-GHMZBOCLSA-N 1 2 293.392 0.981 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn2ccccc12 ZINC001032452179 897586860 /nfs/dbraw/zinc/58/68/60/897586860.db2.gz LYLNOJOGUQECLG-GJZGRUSLSA-N 1 2 294.358 0.795 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn2ccccc12 ZINC001032452179 897586875 /nfs/dbraw/zinc/58/68/75/897586875.db2.gz LYLNOJOGUQECLG-GJZGRUSLSA-N 1 2 294.358 0.795 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncs1 ZINC001032461228 897596312 /nfs/dbraw/zinc/59/63/12/897596312.db2.gz XZNGDNNYYARDLE-QWRGUYRKSA-N 1 2 261.350 0.604 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncs1 ZINC001032461228 897596321 /nfs/dbraw/zinc/59/63/21/897596321.db2.gz XZNGDNNYYARDLE-QWRGUYRKSA-N 1 2 261.350 0.604 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001032467150 897604160 /nfs/dbraw/zinc/60/41/60/897604160.db2.gz CMMUSWPONHSQDY-DCAQKATOSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001032467150 897604171 /nfs/dbraw/zinc/60/41/71/897604171.db2.gz CMMUSWPONHSQDY-DCAQKATOSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)nnn2C ZINC001032476743 897624973 /nfs/dbraw/zinc/62/49/73/897624973.db2.gz UUASDZLSUPRCPA-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)nnn2C ZINC001032476743 897624978 /nfs/dbraw/zinc/62/49/78/897624978.db2.gz UUASDZLSUPRCPA-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001032477905 897625101 /nfs/dbraw/zinc/62/51/01/897625101.db2.gz WFQVHOWAKUKDIU-ILXRZTDVSA-N 1 2 298.390 0.672 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001032477905 897625107 /nfs/dbraw/zinc/62/51/07/897625107.db2.gz WFQVHOWAKUKDIU-ILXRZTDVSA-N 1 2 298.390 0.672 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001032480735 897630014 /nfs/dbraw/zinc/63/00/14/897630014.db2.gz MXYMJHJIMXXZFQ-KBPBESRZSA-N 1 2 273.311 0.682 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001032480735 897630023 /nfs/dbraw/zinc/63/00/23/897630023.db2.gz MXYMJHJIMXXZFQ-KBPBESRZSA-N 1 2 273.311 0.682 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001032484858 897636242 /nfs/dbraw/zinc/63/62/42/897636242.db2.gz PTBXFDXLDHQSRS-AVGNSLFASA-N 1 2 285.351 0.254 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001032529726 897710682 /nfs/dbraw/zinc/71/06/82/897710682.db2.gz UEFURPPXMMAUPI-OLHNTFIZSA-N 1 2 286.375 0.718 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001032529726 897710688 /nfs/dbraw/zinc/71/06/88/897710688.db2.gz UEFURPPXMMAUPI-OLHNTFIZSA-N 1 2 286.375 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001032590964 897789517 /nfs/dbraw/zinc/78/95/17/897789517.db2.gz HONUKCKHSJFMQI-SRVKXCTJSA-N 1 2 285.351 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001032590964 897789525 /nfs/dbraw/zinc/78/95/25/897789525.db2.gz HONUKCKHSJFMQI-SRVKXCTJSA-N 1 2 285.351 0.143 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccn1 ZINC001032693531 897938337 /nfs/dbraw/zinc/93/83/37/897938337.db2.gz ITDPKEPTNIOHSP-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccn1 ZINC001032693531 897938342 /nfs/dbraw/zinc/93/83/42/897938342.db2.gz ITDPKEPTNIOHSP-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032693072 897938781 /nfs/dbraw/zinc/93/87/81/897938781.db2.gz NSRGGHHDZOYCRC-RYUDHWBXSA-N 1 2 283.335 0.814 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccn2n1 ZINC001032693072 897938790 /nfs/dbraw/zinc/93/87/90/897938790.db2.gz NSRGGHHDZOYCRC-RYUDHWBXSA-N 1 2 283.335 0.814 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncn[nH]1 ZINC001032723775 898012606 /nfs/dbraw/zinc/01/26/06/898012606.db2.gz UFWVMAAHKMPIQZ-QWRGUYRKSA-N 1 2 261.329 0.208 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncn[nH]1 ZINC001032723775 898012616 /nfs/dbraw/zinc/01/26/16/898012616.db2.gz UFWVMAAHKMPIQZ-QWRGUYRKSA-N 1 2 261.329 0.208 20 30 CCEDLO C[C@@H](C(=O)N1CCSC[C@H]1C#N)n1cc[nH+]c1 ZINC001116484593 898062031 /nfs/dbraw/zinc/06/20/31/898062031.db2.gz ZPMHROSQXCFYGL-VHSXEESVSA-N 1 2 250.327 0.912 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001077935720 898075131 /nfs/dbraw/zinc/07/51/31/898075131.db2.gz HFYSKWGIRIQRQA-CHWSQXEVSA-N 1 2 288.351 0.085 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001077935720 898075145 /nfs/dbraw/zinc/07/51/45/898075145.db2.gz HFYSKWGIRIQRQA-CHWSQXEVSA-N 1 2 288.351 0.085 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1CCCC ZINC001272859463 898086130 /nfs/dbraw/zinc/08/61/30/898086130.db2.gz RBPDWPWTHGNTQH-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CCCC ZINC001272859463 898086136 /nfs/dbraw/zinc/08/61/36/898086136.db2.gz RBPDWPWTHGNTQH-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001108003258 898097645 /nfs/dbraw/zinc/09/76/45/898097645.db2.gz DOQWAPWZANWZJA-YDHLFZDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001108003258 898097664 /nfs/dbraw/zinc/09/76/64/898097664.db2.gz DOQWAPWZANWZJA-YDHLFZDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001108013635 898111948 /nfs/dbraw/zinc/11/19/48/898111948.db2.gz XRYFBZSBHLMHDZ-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001108013635 898111952 /nfs/dbraw/zinc/11/19/52/898111952.db2.gz XRYFBZSBHLMHDZ-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(N)=O)c1 ZINC001032775780 898162063 /nfs/dbraw/zinc/16/20/63/898162063.db2.gz VAVOVRSWABWINK-KBPBESRZSA-N 1 2 298.346 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(N)=O)c1 ZINC001032775780 898162072 /nfs/dbraw/zinc/16/20/72/898162072.db2.gz VAVOVRSWABWINK-KBPBESRZSA-N 1 2 298.346 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001078024813 898187999 /nfs/dbraw/zinc/18/79/99/898187999.db2.gz HLFAEDBOAVQBSV-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001078024813 898188010 /nfs/dbraw/zinc/18/80/10/898188010.db2.gz HLFAEDBOAVQBSV-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001032784073 898190591 /nfs/dbraw/zinc/19/05/91/898190591.db2.gz FYWKADCPJDYYIE-STQMWFEESA-N 1 2 297.358 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001032784073 898190595 /nfs/dbraw/zinc/19/05/95/898190595.db2.gz FYWKADCPJDYYIE-STQMWFEESA-N 1 2 297.358 0.808 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001078059083 898209931 /nfs/dbraw/zinc/20/99/31/898209931.db2.gz WTVWKTIDJKNPHC-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001078059083 898209943 /nfs/dbraw/zinc/20/99/43/898209943.db2.gz WTVWKTIDJKNPHC-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001078104861 898232208 /nfs/dbraw/zinc/23/22/08/898232208.db2.gz YUSPRZBUVOCKIH-GDBMZVCRSA-N 1 2 299.374 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001078104861 898232225 /nfs/dbraw/zinc/23/22/25/898232225.db2.gz YUSPRZBUVOCKIH-GDBMZVCRSA-N 1 2 299.374 0.087 20 30 CCEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCOC)c2C1 ZINC001128150279 898276694 /nfs/dbraw/zinc/27/66/94/898276694.db2.gz BTIYHBDLCMIXQY-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCOC)c2C1 ZINC001128150279 898276713 /nfs/dbraw/zinc/27/67/13/898276713.db2.gz BTIYHBDLCMIXQY-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001078206217 898302713 /nfs/dbraw/zinc/30/27/13/898302713.db2.gz UDWSQNLTNWJJFT-KCPJHIHWSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001078206217 898302729 /nfs/dbraw/zinc/30/27/29/898302729.db2.gz UDWSQNLTNWJJFT-KCPJHIHWSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC001494267048 899059788 /nfs/dbraw/zinc/05/97/88/899059788.db2.gz VNXJWSGNUZUJEP-CQSZACIVSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC=C)C1 ZINC001494267048 899059804 /nfs/dbraw/zinc/05/98/04/899059804.db2.gz VNXJWSGNUZUJEP-CQSZACIVSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001494599609 899157110 /nfs/dbraw/zinc/15/71/10/899157110.db2.gz VYGNZEAIRIHDRE-QWHCGFSZSA-N 1 2 293.411 0.464 20 30 CCEDLO CC(C)[N@@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@@H]1C ZINC001193140395 900032858 /nfs/dbraw/zinc/03/28/58/900032858.db2.gz WVZPLZDCBMMWEX-WDEREUQCSA-N 1 2 259.375 0.643 20 30 CCEDLO CC(C)[N@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@@H]1C ZINC001193140395 900032867 /nfs/dbraw/zinc/03/28/67/900032867.db2.gz WVZPLZDCBMMWEX-WDEREUQCSA-N 1 2 259.375 0.643 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001490186088 900559713 /nfs/dbraw/zinc/55/97/13/900559713.db2.gz HRJGGMRMVOZHCJ-AWEZNQCLSA-N 1 2 295.387 0.080 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001490186088 900559720 /nfs/dbraw/zinc/55/97/20/900559720.db2.gz HRJGGMRMVOZHCJ-AWEZNQCLSA-N 1 2 295.387 0.080 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001442985022 901091788 /nfs/dbraw/zinc/09/17/88/901091788.db2.gz MRXAHFNCQTWYNQ-SNVBAGLBSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001442985022 901091798 /nfs/dbraw/zinc/09/17/98/901091798.db2.gz MRXAHFNCQTWYNQ-SNVBAGLBSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1NCC#N ZINC001054895649 903073427 /nfs/dbraw/zinc/07/34/27/903073427.db2.gz IWOMAIXZQRPWHO-NWDGAFQWSA-N 1 2 283.335 0.908 20 30 CCEDLO N#C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC001328105192 903079209 /nfs/dbraw/zinc/07/92/09/903079209.db2.gz KELYGMCJOYIDJY-GXFFZTMASA-N 1 2 276.365 0.961 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001308133942 903242527 /nfs/dbraw/zinc/24/25/27/903242527.db2.gz FGCNVUBKPUSFSU-NRUUGDAUSA-N 1 2 293.375 0.304 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CNC(C)=O)cc2C1 ZINC001327683392 914703996 /nfs/dbraw/zinc/70/39/96/914703996.db2.gz ZXXBJSPWSDXLHR-UHFFFAOYSA-N 1 2 285.347 0.388 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CNC(C)=O)cc2C1 ZINC001327683392 914704018 /nfs/dbraw/zinc/70/40/18/914704018.db2.gz ZXXBJSPWSDXLHR-UHFFFAOYSA-N 1 2 285.347 0.388 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCOC)C2)CC1 ZINC001280678529 904136226 /nfs/dbraw/zinc/13/62/26/904136226.db2.gz OEXBMYMWZFFZFC-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)COCCOC)O2 ZINC001280921047 904170567 /nfs/dbraw/zinc/17/05/67/904170567.db2.gz UDRVDHWXOIXITH-CYBMUJFWSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001280920291 904171704 /nfs/dbraw/zinc/17/17/04/904171704.db2.gz QLBGUQAXNYLOGX-CYBMUJFWSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCCOC)O2 ZINC001280923018 904174208 /nfs/dbraw/zinc/17/42/08/904174208.db2.gz ZRTMGYJTHIKSND-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC001334735120 906342416 /nfs/dbraw/zinc/34/24/16/906342416.db2.gz QQKZQAVPHWXTKG-LBPRGKRZSA-N 1 2 278.400 0.963 20 30 CCEDLO CC(=[NH+]NC1CCS(=O)(=O)CC1)c1csc(N)n1 ZINC001337311602 921233474 /nfs/dbraw/zinc/23/34/74/921233474.db2.gz RVDLYJGUPKGUNP-UHFFFAOYSA-N 1 2 288.398 0.616 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379761276 906470384 /nfs/dbraw/zinc/47/03/84/906470384.db2.gz IJPDGXLFNPADIU-HZMBPMFUSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001380573112 906828578 /nfs/dbraw/zinc/82/85/78/906828578.db2.gz MWZOLQWBZHHHLR-CYBMUJFWSA-N 1 2 298.774 0.339 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001380573112 906828583 /nfs/dbraw/zinc/82/85/83/906828583.db2.gz MWZOLQWBZHHHLR-CYBMUJFWSA-N 1 2 298.774 0.339 20 30 CCEDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C#CC(C)(C)C ZINC001296206996 906872323 /nfs/dbraw/zinc/87/23/23/906872323.db2.gz ILZRPZYINSQGRW-UHFFFAOYSA-N 1 2 290.367 0.576 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001298394685 907236285 /nfs/dbraw/zinc/23/62/85/907236285.db2.gz SZMIMWLLQABCFU-OWOJBTEDSA-N 1 2 286.335 0.085 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001381537017 907277039 /nfs/dbraw/zinc/27/70/39/907277039.db2.gz YFXKRYUOGDXOQG-GHMZBOCLSA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001381537017 907277049 /nfs/dbraw/zinc/27/70/49/907277049.db2.gz YFXKRYUOGDXOQG-GHMZBOCLSA-N 1 2 287.791 0.654 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C#CC(C)(C)C ZINC001298771606 907325876 /nfs/dbraw/zinc/32/58/76/907325876.db2.gz AZMNFOFUKZCUJM-NSHDSACASA-N 1 2 290.367 0.623 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001298856114 907342059 /nfs/dbraw/zinc/34/20/59/907342059.db2.gz JUELTEWIDQDVSL-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC001381856675 907429213 /nfs/dbraw/zinc/42/92/13/907429213.db2.gz OTCDMHCQVPJOAP-AAEUAGOBSA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC001381856675 907429220 /nfs/dbraw/zinc/42/92/20/907429220.db2.gz OTCDMHCQVPJOAP-AAEUAGOBSA-N 1 2 289.383 0.906 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cscn3)n2C)CC1 ZINC001338045340 921349696 /nfs/dbraw/zinc/34/96/96/921349696.db2.gz PMFDHZGDGKJZJW-UHFFFAOYSA-N 1 2 288.380 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001492219950 907771670 /nfs/dbraw/zinc/77/16/70/907771670.db2.gz AGQBJOMQMQPPBB-NHAGDIPZSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001492219950 907771677 /nfs/dbraw/zinc/77/16/77/907771677.db2.gz AGQBJOMQMQPPBB-NHAGDIPZSA-N 1 2 293.411 0.773 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001492369524 907876395 /nfs/dbraw/zinc/87/63/95/907876395.db2.gz IQQDAWICWLYQFE-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001492369524 907876389 /nfs/dbraw/zinc/87/63/89/907876389.db2.gz IQQDAWICWLYQFE-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)[nH]c1C ZINC001492434918 907922613 /nfs/dbraw/zinc/92/26/13/907922613.db2.gz JRUVEMHTESQAPM-UHFFFAOYSA-N 1 2 292.383 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)[nH]c1C ZINC001492434918 907922620 /nfs/dbraw/zinc/92/26/20/907922620.db2.gz JRUVEMHTESQAPM-UHFFFAOYSA-N 1 2 292.383 0.595 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001384637736 908269265 /nfs/dbraw/zinc/26/92/65/908269265.db2.gz YIGZFDLIGPMWMG-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1csnn1 ZINC001307849693 908357619 /nfs/dbraw/zinc/35/76/19/908357619.db2.gz PLADKLKPRIHCFW-VIFPVBQESA-N 1 2 267.358 0.951 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001312708548 908618796 /nfs/dbraw/zinc/61/87/96/908618796.db2.gz XYSATBAUELHPHG-MNOVXSKESA-N 1 2 262.313 0.807 20 30 CCEDLO C=CCN(CCOC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001312831844 908634946 /nfs/dbraw/zinc/63/49/46/908634946.db2.gz QCWCHWZCEQNPFX-UHFFFAOYSA-N 1 2 266.345 0.807 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001386458805 908749992 /nfs/dbraw/zinc/74/99/92/908749992.db2.gz STWFOCWUTCALEG-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001317042592 908937190 /nfs/dbraw/zinc/93/71/90/908937190.db2.gz IXLSWHLOCUMUGL-WCFLWFBJSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001317042592 908937195 /nfs/dbraw/zinc/93/71/95/908937195.db2.gz IXLSWHLOCUMUGL-WCFLWFBJSA-N 1 2 265.357 0.372 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nncs1 ZINC001317229451 909063281 /nfs/dbraw/zinc/06/32/81/909063281.db2.gz OHYCWHHJYXLBDH-JGVFFNPUSA-N 1 2 253.331 0.292 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001317240681 909080120 /nfs/dbraw/zinc/08/01/20/909080120.db2.gz YVICVCYBCUXUET-JTQLQIEISA-N 1 2 266.370 0.792 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC=CCC1 ZINC001317455782 909229741 /nfs/dbraw/zinc/22/97/41/909229741.db2.gz AKMIEEZKJQDJRN-CQSZACIVSA-N 1 2 291.395 0.530 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC=CCC1 ZINC001317455782 909229752 /nfs/dbraw/zinc/22/97/52/909229752.db2.gz AKMIEEZKJQDJRN-CQSZACIVSA-N 1 2 291.395 0.530 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001317457895 909230752 /nfs/dbraw/zinc/23/07/52/909230752.db2.gz GHQPEGAJJADRFQ-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001317457895 909230764 /nfs/dbraw/zinc/23/07/64/909230764.db2.gz GHQPEGAJJADRFQ-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)S(C)(=O)=O ZINC001317503853 909274202 /nfs/dbraw/zinc/27/42/02/909274202.db2.gz TVVLJGMEAXNJBT-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)S(C)(=O)=O ZINC001317503853 909274218 /nfs/dbraw/zinc/27/42/18/909274218.db2.gz TVVLJGMEAXNJBT-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H](C)C#N ZINC001388399221 909471695 /nfs/dbraw/zinc/47/16/95/909471695.db2.gz HLZHHFIXPGBNDP-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001317758210 909484985 /nfs/dbraw/zinc/48/49/85/909484985.db2.gz FXABDAATGSVBKJ-CYBMUJFWSA-N 1 2 293.411 0.834 20 30 CCEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001317758210 909484993 /nfs/dbraw/zinc/48/49/93/909484993.db2.gz FXABDAATGSVBKJ-CYBMUJFWSA-N 1 2 293.411 0.834 20 30 CCEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@H](O)C(C)C)CC1 ZINC001317817014 909509628 /nfs/dbraw/zinc/50/96/28/909509628.db2.gz SDCARMLMICDBJZ-OAHLLOKOSA-N 1 2 295.427 0.103 20 30 CCEDLO CN(CC#N)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317863985 909532435 /nfs/dbraw/zinc/53/24/35/909532435.db2.gz RUKVULPPKCLRGY-LBPRGKRZSA-N 1 2 261.329 0.187 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001317919731 909540100 /nfs/dbraw/zinc/54/01/00/909540100.db2.gz GHNNKSNTYOIJBG-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001317919731 909540114 /nfs/dbraw/zinc/54/01/14/909540114.db2.gz GHNNKSNTYOIJBG-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCF)C1 ZINC001317941269 909549924 /nfs/dbraw/zinc/54/99/24/909549924.db2.gz VAWCBJHNACDSAL-GFCCVEGCSA-N 1 2 285.363 0.619 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCF)C1 ZINC001317941269 909549936 /nfs/dbraw/zinc/54/99/36/909549936.db2.gz VAWCBJHNACDSAL-GFCCVEGCSA-N 1 2 285.363 0.619 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001318108289 909623694 /nfs/dbraw/zinc/62/36/94/909623694.db2.gz SCXWJLHIDRHDIV-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001318159658 909644230 /nfs/dbraw/zinc/64/42/30/909644230.db2.gz VQARQJOLUNXUBQ-LBPRGKRZSA-N 1 2 281.400 0.629 20 30 CCEDLO C#CCN1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318179812 909653915 /nfs/dbraw/zinc/65/39/15/909653915.db2.gz OURMRQZURGPQKT-UHFFFAOYSA-N 1 2 285.391 0.800 20 30 CCEDLO C#CCN1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318179812 909653922 /nfs/dbraw/zinc/65/39/22/909653922.db2.gz OURMRQZURGPQKT-UHFFFAOYSA-N 1 2 285.391 0.800 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001389446640 909902362 /nfs/dbraw/zinc/90/23/62/909902362.db2.gz FLSAPAFJQSPSCU-RYUDHWBXSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001389446640 909902364 /nfs/dbraw/zinc/90/23/64/909902364.db2.gz FLSAPAFJQSPSCU-RYUDHWBXSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001319296620 910081723 /nfs/dbraw/zinc/08/17/23/910081723.db2.gz XKWIEQWCLNAWLZ-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001319296620 910081738 /nfs/dbraw/zinc/08/17/38/910081738.db2.gz XKWIEQWCLNAWLZ-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)c2)C1 ZINC001319330290 910101535 /nfs/dbraw/zinc/10/15/35/910101535.db2.gz AHQOTCZGUFLUQC-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)c2)C1 ZINC001319330290 910101549 /nfs/dbraw/zinc/10/15/49/910101549.db2.gz AHQOTCZGUFLUQC-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319606436 910225369 /nfs/dbraw/zinc/22/53/69/910225369.db2.gz IDKPMZWNXCCOJL-PWSUYJOCSA-N 1 2 260.297 0.196 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001319946480 910364341 /nfs/dbraw/zinc/36/43/41/910364341.db2.gz HERXCBRNTBBWMP-WCQYABFASA-N 1 2 277.372 0.842 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001319946480 910364355 /nfs/dbraw/zinc/36/43/55/910364355.db2.gz HERXCBRNTBBWMP-WCQYABFASA-N 1 2 277.372 0.842 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001319946481 910368073 /nfs/dbraw/zinc/36/80/73/910368073.db2.gz HERXCBRNTBBWMP-YPMHNXCESA-N 1 2 277.372 0.842 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001319946481 910368087 /nfs/dbraw/zinc/36/80/87/910368087.db2.gz HERXCBRNTBBWMP-YPMHNXCESA-N 1 2 277.372 0.842 20 30 CCEDLO C#CC[NH2+]CC[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001320423428 910671032 /nfs/dbraw/zinc/67/10/32/910671032.db2.gz WDBHCYYYAKDNPP-JTQLQIEISA-N 1 2 271.324 0.689 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC001320761119 910848252 /nfs/dbraw/zinc/84/82/52/910848252.db2.gz BCEUNXBTBPEMOJ-TUAOUCFPSA-N 1 2 281.356 0.592 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001391080376 910856472 /nfs/dbraw/zinc/85/64/72/910856472.db2.gz WGJXMRDKFVBIEZ-GXSJLCMTSA-N 1 2 276.344 0.211 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001391080376 910856486 /nfs/dbraw/zinc/85/64/86/910856486.db2.gz WGJXMRDKFVBIEZ-GXSJLCMTSA-N 1 2 276.344 0.211 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001391171103 910939849 /nfs/dbraw/zinc/93/98/49/910939849.db2.gz YHGZXASYDCKLET-LLVKDONJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001391171103 910939876 /nfs/dbraw/zinc/93/98/76/910939876.db2.gz YHGZXASYDCKLET-LLVKDONJSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001321842145 911523611 /nfs/dbraw/zinc/52/36/11/911523611.db2.gz MFMQIFFZLSFGOB-UWVGGRQHSA-N 1 2 282.369 0.171 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCC#N ZINC001321857036 911532018 /nfs/dbraw/zinc/53/20/18/911532018.db2.gz ODEDAWVWKHSXDF-NSHDSACASA-N 1 2 277.328 0.198 20 30 CCEDLO C[C@H](CC(=O)N[C@@H](CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001323083419 912105813 /nfs/dbraw/zinc/10/58/13/912105813.db2.gz ZMNKVPGQIAUDRH-YPMHNXCESA-N 1 2 275.356 0.842 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC(C)C ZINC001323181068 912160260 /nfs/dbraw/zinc/16/02/60/912160260.db2.gz INDIUWZYBDBYDT-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC(C)C ZINC001323181068 912160271 /nfs/dbraw/zinc/16/02/71/912160271.db2.gz INDIUWZYBDBYDT-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001392825086 912175010 /nfs/dbraw/zinc/17/50/10/912175010.db2.gz RHASLAHSBDCUNV-NWDGAFQWSA-N 1 2 295.387 0.044 20 30 CCEDLO CC(C)NC(=O)NCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001392825086 912175020 /nfs/dbraw/zinc/17/50/20/912175020.db2.gz RHASLAHSBDCUNV-NWDGAFQWSA-N 1 2 295.387 0.044 20 30 CCEDLO C=CCn1cc(CNC(=O)Cc2[nH]c[nH+]c2C)nn1 ZINC001327996634 914910787 /nfs/dbraw/zinc/91/07/87/914910787.db2.gz JJCKDFNQGCORAD-UHFFFAOYSA-N 1 2 260.301 0.355 20 30 CCEDLO C=CC[NH+]1CCC(CO)(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC001328519515 915246645 /nfs/dbraw/zinc/24/66/45/915246645.db2.gz IDEVGXGZUKOVDO-UHFFFAOYSA-N 1 2 292.383 0.769 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001328848442 915472737 /nfs/dbraw/zinc/47/27/37/915472737.db2.gz NSKIMXBVDVZLIJ-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO COc1cncc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001400481236 915767271 /nfs/dbraw/zinc/76/72/71/915767271.db2.gz WZKVLQQNGIDWRY-SNVBAGLBSA-N 1 2 289.339 0.193 20 30 CCEDLO COCC#CC[N@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439668 915918409 /nfs/dbraw/zinc/91/84/09/915918409.db2.gz BAFGAWCCNJANQS-NXEZZACHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439668 915918422 /nfs/dbraw/zinc/91/84/22/915918422.db2.gz BAFGAWCCNJANQS-NXEZZACHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001329439668 915918435 /nfs/dbraw/zinc/91/84/35/915918435.db2.gz BAFGAWCCNJANQS-NXEZZACHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001329439668 915918449 /nfs/dbraw/zinc/91/84/49/915918449.db2.gz BAFGAWCCNJANQS-NXEZZACHSA-N 1 2 298.280 0.973 20 30 CCEDLO C[C@H](CNC(=O)C(N)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001329531262 915989030 /nfs/dbraw/zinc/98/90/30/915989030.db2.gz JXUAAZMVPGSPOH-SECBINFHSA-N 1 2 292.314 0.119 20 30 CCEDLO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001329531262 915989038 /nfs/dbraw/zinc/98/90/38/915989038.db2.gz JXUAAZMVPGSPOH-SECBINFHSA-N 1 2 292.314 0.119 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001401518463 916302727 /nfs/dbraw/zinc/30/27/27/916302727.db2.gz XQXXQXGXYNLDOA-RNFRBKRXSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001401518463 916302746 /nfs/dbraw/zinc/30/27/46/916302746.db2.gz XQXXQXGXYNLDOA-RNFRBKRXSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001330184569 916463040 /nfs/dbraw/zinc/46/30/40/916463040.db2.gz OLOIPEUGRMGNBM-SECBINFHSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001330184569 916463050 /nfs/dbraw/zinc/46/30/50/916463050.db2.gz OLOIPEUGRMGNBM-SECBINFHSA-N 1 2 273.764 0.441 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]([NH2+]Cc1csnn1)C1CC1 ZINC001402262719 916907672 /nfs/dbraw/zinc/90/76/72/916907672.db2.gz NDAQRYGUOPEXPS-KCJUWKMLSA-N 1 2 279.369 0.682 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2nc(CCOC)no2)CC1 ZINC001331188962 917167534 /nfs/dbraw/zinc/16/75/34/917167534.db2.gz KDJNDTHOORBFFM-UHFFFAOYSA-N 1 2 279.340 0.609 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC001402791389 917224633 /nfs/dbraw/zinc/22/46/33/917224633.db2.gz CYYINMPFSSZBNJ-CMPLNLGQSA-N 1 2 291.355 0.946 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC001402791389 917224644 /nfs/dbraw/zinc/22/46/44/917224644.db2.gz CYYINMPFSSZBNJ-CMPLNLGQSA-N 1 2 291.355 0.946 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001331773317 917594648 /nfs/dbraw/zinc/59/46/48/917594648.db2.gz UGCYSSMHFQONLD-VXGBXAGGSA-N 1 2 292.383 0.817 20 30 CCEDLO CC#CCCCC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001332724801 918402303 /nfs/dbraw/zinc/40/23/03/918402303.db2.gz WCNIVFKHZBGWBN-UHFFFAOYSA-N 1 2 281.400 0.834 20 30 CCEDLO CC#CCCCC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001332724801 918402310 /nfs/dbraw/zinc/40/23/10/918402310.db2.gz WCNIVFKHZBGWBN-UHFFFAOYSA-N 1 2 281.400 0.834 20 30 CCEDLO N#CC[C@@H](O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC001332847833 918481876 /nfs/dbraw/zinc/48/18/76/918481876.db2.gz HJKIOEAZYIIJRP-KCJUWKMLSA-N 1 2 256.252 0.862 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001405048138 918579031 /nfs/dbraw/zinc/57/90/31/918579031.db2.gz XYNZXXVTNQFLGE-GHMZBOCLSA-N 1 2 276.344 0.148 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001405048138 918579043 /nfs/dbraw/zinc/57/90/43/918579043.db2.gz XYNZXXVTNQFLGE-GHMZBOCLSA-N 1 2 276.344 0.148 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCOC1 ZINC001333396770 918865447 /nfs/dbraw/zinc/86/54/47/918865447.db2.gz BJKJLYKGWSEXIH-GWCFXTLKSA-N 1 2 260.297 0.764 20 30 CCEDLO COC1(OC)CC[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC001333691764 919104210 /nfs/dbraw/zinc/10/42/10/919104210.db2.gz RATCLIGSSPUFAJ-NEPJUHHUSA-N 1 2 267.329 0.486 20 30 CCEDLO COC1(OC)CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC001333691764 919104220 /nfs/dbraw/zinc/10/42/20/919104220.db2.gz RATCLIGSSPUFAJ-NEPJUHHUSA-N 1 2 267.329 0.486 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001333868512 919221939 /nfs/dbraw/zinc/22/19/39/919221939.db2.gz VEGVTWZLFOPUCI-WDEREUQCSA-N 1 2 294.355 0.164 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CNC(=O)NC ZINC001492963450 919759846 /nfs/dbraw/zinc/75/98/46/919759846.db2.gz ZXENGVXKDSGVGK-UHFFFAOYSA-N 1 2 276.768 0.106 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CNC(=O)NC ZINC001492963450 919759859 /nfs/dbraw/zinc/75/98/59/919759859.db2.gz ZXENGVXKDSGVGK-UHFFFAOYSA-N 1 2 276.768 0.106 20 30 CCEDLO C=C[C@@H](COC)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001335498055 920236975 /nfs/dbraw/zinc/23/69/75/920236975.db2.gz QMWIXLVNRZGNEJ-NEPJUHHUSA-N 1 2 266.345 0.605 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415332719 920674902 /nfs/dbraw/zinc/67/49/02/920674902.db2.gz OBQRAZJEGDJDPZ-QWRGUYRKSA-N 1 2 289.339 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1cncn1C)C1CC1 ZINC001418753819 922409365 /nfs/dbraw/zinc/40/93/65/922409365.db2.gz PJZUPHUPEFCDKA-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1cncn1C)C1CC1 ZINC001418753819 922409379 /nfs/dbraw/zinc/40/93/79/922409379.db2.gz PJZUPHUPEFCDKA-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001419146019 922664253 /nfs/dbraw/zinc/66/42/53/922664253.db2.gz RXJFIOHFRNSHMP-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001419146019 922664273 /nfs/dbraw/zinc/66/42/73/922664273.db2.gz RXJFIOHFRNSHMP-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=CCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001343179098 923224535 /nfs/dbraw/zinc/22/45/35/923224535.db2.gz GTVYRZDHGWPITJ-IUCAKERBSA-N 1 2 296.339 0.171 20 30 CCEDLO CC[N@@H+]1CC[C@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001420287370 923501207 /nfs/dbraw/zinc/50/12/07/923501207.db2.gz HFXJSPIVMLSNJY-ZDUSSCGKSA-N 1 2 278.352 0.945 20 30 CCEDLO CC[N@H+]1CC[C@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001420287370 923501221 /nfs/dbraw/zinc/50/12/21/923501221.db2.gz HFXJSPIVMLSNJY-ZDUSSCGKSA-N 1 2 278.352 0.945 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nncn1C ZINC001420577205 923794622 /nfs/dbraw/zinc/79/46/22/923794622.db2.gz ICLIDQZQLNOLMD-RYUDHWBXSA-N 1 2 292.387 0.864 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nncn1C ZINC001420577205 923794631 /nfs/dbraw/zinc/79/46/31/923794631.db2.gz ICLIDQZQLNOLMD-RYUDHWBXSA-N 1 2 292.387 0.864 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001421237915 924233227 /nfs/dbraw/zinc/23/32/27/924233227.db2.gz MCXRNVABDXUUEF-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001421237915 924233239 /nfs/dbraw/zinc/23/32/39/924233239.db2.gz MCXRNVABDXUUEF-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@](F)(C#N)C1 ZINC001346813397 924315839 /nfs/dbraw/zinc/31/58/39/924315839.db2.gz UEOBUSZCSSHMSX-LBPRGKRZSA-N 1 2 250.277 0.817 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001347183515 924390188 /nfs/dbraw/zinc/39/01/88/924390188.db2.gz ANYPBABLQWRPTD-OCCSQVGLSA-N 1 2 280.416 0.981 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001347183515 924390198 /nfs/dbraw/zinc/39/01/98/924390198.db2.gz ANYPBABLQWRPTD-OCCSQVGLSA-N 1 2 280.416 0.981 20 30 CCEDLO C#CCCCCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001348819872 924815692 /nfs/dbraw/zinc/81/56/92/924815692.db2.gz PLUYXPJIAZZHOI-UHFFFAOYSA-N 1 2 276.340 0.378 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001350484614 925207844 /nfs/dbraw/zinc/20/78/44/925207844.db2.gz HAVFCNJJYKZARB-LBPRGKRZSA-N 1 2 263.341 0.817 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001350532740 925219710 /nfs/dbraw/zinc/21/97/10/925219710.db2.gz QWLLXCGZLWELGI-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001351136251 925369258 /nfs/dbraw/zinc/36/92/58/925369258.db2.gz ZAGRAYKFHBBHPW-GHMZBOCLSA-N 1 2 263.345 0.012 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001351136251 925369265 /nfs/dbraw/zinc/36/92/65/925369265.db2.gz ZAGRAYKFHBBHPW-GHMZBOCLSA-N 1 2 263.345 0.012 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001352972629 925687800 /nfs/dbraw/zinc/68/78/00/925687800.db2.gz IDHVTDFZTITLKL-NSHDSACASA-N 1 2 276.340 0.636 20 30 CCEDLO C[C@H](CNC(=O)C#CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001480459380 925778501 /nfs/dbraw/zinc/77/85/01/925778501.db2.gz LQKZYELJFDXTFL-SNVBAGLBSA-N 1 2 264.329 0.713 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001354380048 926099068 /nfs/dbraw/zinc/09/90/68/926099068.db2.gz RLOQLNMFPCFNDK-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001354380048 926099079 /nfs/dbraw/zinc/09/90/79/926099079.db2.gz RLOQLNMFPCFNDK-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CCOC)CC1 ZINC001354771522 926162961 /nfs/dbraw/zinc/16/29/61/926162961.db2.gz ZZPVXHRLLDMLDE-UHFFFAOYSA-N 1 2 291.399 0.632 20 30 CCEDLO C=CCCC(=O)NCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001355093265 926207939 /nfs/dbraw/zinc/20/79/39/926207939.db2.gz FEVFTYVAQNUCBH-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@H](CCNC(=O)C#CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001355147396 926218780 /nfs/dbraw/zinc/21/87/80/926218780.db2.gz SYZIRIORLIZCEN-GFCCVEGCSA-N 1 2 288.351 0.308 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001421303536 926665250 /nfs/dbraw/zinc/66/52/50/926665250.db2.gz GIRHBGHHZUJOPZ-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001421303536 926665256 /nfs/dbraw/zinc/66/52/56/926665256.db2.gz GIRHBGHHZUJOPZ-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCCC(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001358721615 926804881 /nfs/dbraw/zinc/80/48/81/926804881.db2.gz ACYQLPFSSYMGCH-UHFFFAOYSA-N 1 2 290.367 0.909 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC001421773056 926903199 /nfs/dbraw/zinc/90/31/99/926903199.db2.gz CKMQPHFYOIHQOJ-OCCSQVGLSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC001421773056 926903206 /nfs/dbraw/zinc/90/32/06/926903206.db2.gz CKMQPHFYOIHQOJ-OCCSQVGLSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(C2CC2)no1)NC(=O)[C@H](C)C#N ZINC001422471750 927292277 /nfs/dbraw/zinc/29/22/77/927292277.db2.gz SKANGOOFQLXOLD-RKDXNWHRSA-N 1 2 277.328 0.701 20 30 CCEDLO CCc1nnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001423200380 927737149 /nfs/dbraw/zinc/73/71/49/927737149.db2.gz NFTSHUQAJBIISC-VIFPVBQESA-N 1 2 293.396 0.999 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC001362743036 928433610 /nfs/dbraw/zinc/43/36/10/928433610.db2.gz VJIMCOMYVAMVSO-GFCCVEGCSA-N 1 2 270.296 0.396 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1(CC#N)CC1 ZINC001363749939 929544329 /nfs/dbraw/zinc/54/43/29/929544329.db2.gz GBLYTDKSUKXXTB-LLVKDONJSA-N 1 2 282.369 0.885 20 30 CCEDLO C[N@H+](CCn1cnnc1)CC(=O)Nc1sccc1C#N ZINC001363810100 929597724 /nfs/dbraw/zinc/59/77/24/929597724.db2.gz IYBXZMLHUADMIC-UHFFFAOYSA-N 1 2 290.352 0.782 20 30 CCEDLO C[N@@H+](CCn1cnnc1)CC(=O)Nc1sccc1C#N ZINC001363810100 929597735 /nfs/dbraw/zinc/59/77/35/929597735.db2.gz IYBXZMLHUADMIC-UHFFFAOYSA-N 1 2 290.352 0.782 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001443520031 929632829 /nfs/dbraw/zinc/63/28/29/929632829.db2.gz OSTDRIGZLJUFTC-GMTAPVOTSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnn(C)c1N)C1CC1 ZINC001372790144 929957086 /nfs/dbraw/zinc/95/70/86/929957086.db2.gz SSWRNYFZEZZUTD-UHFFFAOYSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnn(C)c1N)C1CC1 ZINC001372790144 929957093 /nfs/dbraw/zinc/95/70/93/929957093.db2.gz SSWRNYFZEZZUTD-UHFFFAOYSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001445721406 930230593 /nfs/dbraw/zinc/23/05/93/930230593.db2.gz VOUSLGTYLZXKTA-VIFPVBQESA-N 1 2 285.779 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001445721406 930230603 /nfs/dbraw/zinc/23/06/03/930230603.db2.gz VOUSLGTYLZXKTA-VIFPVBQESA-N 1 2 285.779 0.845 20 30 CCEDLO CC(C)OCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001447401040 930625375 /nfs/dbraw/zinc/62/53/75/930625375.db2.gz RJMLIPVNGVUORJ-OLZOCXBDSA-N 1 2 295.383 0.531 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001376705286 931233861 /nfs/dbraw/zinc/23/38/61/931233861.db2.gz ABTMGMGOJSIYOO-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588662554 983789658 /nfs/dbraw/zinc/78/96/58/983789658.db2.gz BRIMGTGPEKTMSC-NWDGAFQWSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588662554 983789660 /nfs/dbraw/zinc/78/96/60/983789660.db2.gz BRIMGTGPEKTMSC-NWDGAFQWSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588662555 983789941 /nfs/dbraw/zinc/78/99/41/983789941.db2.gz BRIMGTGPEKTMSC-RYUDHWBXSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588662555 983789946 /nfs/dbraw/zinc/78/99/46/983789946.db2.gz BRIMGTGPEKTMSC-RYUDHWBXSA-N 1 2 281.356 0.040 20 30 CCEDLO C[C@H]1CO[C@@H](CO)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000092041732 349481629 /nfs/dbraw/zinc/48/16/29/349481629.db2.gz RQOGGVDSFLGLKS-SMDDNHRTSA-N 1 2 286.335 0.788 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599566905 361746115 /nfs/dbraw/zinc/74/61/15/361746115.db2.gz JRIPLALNLHALRB-DGCLKSJQSA-N 1 2 265.313 0.694 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599566905 361746119 /nfs/dbraw/zinc/74/61/19/361746119.db2.gz JRIPLALNLHALRB-DGCLKSJQSA-N 1 2 265.313 0.694 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000573359318 334931061 /nfs/dbraw/zinc/93/10/61/334931061.db2.gz UWCOHFKRIPFRNV-MNOVXSKESA-N 1 2 257.359 0.843 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@@H](C)COC ZINC000617578134 365685439 /nfs/dbraw/zinc/68/54/39/365685439.db2.gz CVYAXANZAVONJT-UONOGXRCSA-N 1 2 283.416 0.672 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cscc1C#N ZINC000600417717 361954901 /nfs/dbraw/zinc/95/49/01/361954901.db2.gz AIXIJVHAQQAHHM-SNVBAGLBSA-N 1 2 265.338 0.680 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cscc1C#N ZINC000600417717 361954905 /nfs/dbraw/zinc/95/49/05/361954905.db2.gz AIXIJVHAQQAHHM-SNVBAGLBSA-N 1 2 265.338 0.680 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000600422592 361956649 /nfs/dbraw/zinc/95/66/49/361956649.db2.gz VVOBOYJOISDXAH-LBPRGKRZSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000600422592 361956651 /nfs/dbraw/zinc/95/66/51/361956651.db2.gz VVOBOYJOISDXAH-LBPRGKRZSA-N 1 2 291.326 0.687 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000349886456 529488976 /nfs/dbraw/zinc/48/89/76/529488976.db2.gz ALNHLLDDTNHEJG-AWEZNQCLSA-N 1 2 280.372 0.207 20 30 CCEDLO COCC[N@H+](C)Cc1cn(-c2ncccc2C#N)nn1 ZINC000600977027 362112541 /nfs/dbraw/zinc/11/25/41/362112541.db2.gz ZRZLWMPZKWEXBP-UHFFFAOYSA-N 1 2 272.312 0.612 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(-c2ncccc2C#N)nn1 ZINC000600977027 362112548 /nfs/dbraw/zinc/11/25/48/362112548.db2.gz ZRZLWMPZKWEXBP-UHFFFAOYSA-N 1 2 272.312 0.612 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(O)CCSC2)C1 ZINC000329000200 529788228 /nfs/dbraw/zinc/78/82/28/529788228.db2.gz XGDKWMOISQCKOL-MWLCHTKSSA-N 1 2 260.359 0.142 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(O)CCSC2)C1 ZINC000329000200 529788229 /nfs/dbraw/zinc/78/82/29/529788229.db2.gz XGDKWMOISQCKOL-MWLCHTKSSA-N 1 2 260.359 0.142 20 30 CCEDLO CN1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000329540039 529827604 /nfs/dbraw/zinc/82/76/04/529827604.db2.gz CSCBDGRNSZLRFC-DTWKUNHWSA-N 1 2 277.328 0.001 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000332491204 529861018 /nfs/dbraw/zinc/86/10/18/529861018.db2.gz FHJMCJJPBWVCCB-GXFFZTMASA-N 1 2 268.361 0.107 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000332491204 529861019 /nfs/dbraw/zinc/86/10/19/529861019.db2.gz FHJMCJJPBWVCCB-GXFFZTMASA-N 1 2 268.361 0.107 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000601470829 362284383 /nfs/dbraw/zinc/28/43/83/362284383.db2.gz OVKDFJIRTOENHJ-JTQLQIEISA-N 1 2 285.373 0.329 20 30 CCEDLO N#CCCCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601887237 362417694 /nfs/dbraw/zinc/41/76/94/362417694.db2.gz ARJIORHPUHYVEI-UHFFFAOYSA-N 1 2 287.367 0.857 20 30 CCEDLO C#CC[N@@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119070757 349917092 /nfs/dbraw/zinc/91/70/92/349917092.db2.gz IVTYPJUFFMQTBV-CYBMUJFWSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119070757 349917095 /nfs/dbraw/zinc/91/70/95/349917095.db2.gz IVTYPJUFFMQTBV-CYBMUJFWSA-N 1 2 271.382 0.535 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCc2cscn2)C1 ZINC000330173586 530070142 /nfs/dbraw/zinc/07/01/42/530070142.db2.gz HNGAAQXXQDMLGD-LBPRGKRZSA-N 1 2 297.428 0.435 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCc2cscn2)C1 ZINC000330173586 530070143 /nfs/dbraw/zinc/07/01/43/530070143.db2.gz HNGAAQXXQDMLGD-LBPRGKRZSA-N 1 2 297.428 0.435 20 30 CCEDLO CCc1c[nH]c(CC(=O)N[C@](C)(C#N)COC)[nH+]1 ZINC000602121059 362503425 /nfs/dbraw/zinc/50/34/25/362503425.db2.gz OMRBYXNLCGZYGL-GFCCVEGCSA-N 1 2 250.302 0.559 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000602204341 362557257 /nfs/dbraw/zinc/55/72/57/362557257.db2.gz LQZVTUDOMOIPOA-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO N#C[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCO1 ZINC000602463612 362630940 /nfs/dbraw/zinc/63/09/40/362630940.db2.gz ILIHCBQLSIUBQB-LLVKDONJSA-N 1 2 261.281 0.577 20 30 CCEDLO Cc1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)no1 ZINC000602476576 362637129 /nfs/dbraw/zinc/63/71/29/362637129.db2.gz SJOBPVWOHKQNDE-UHFFFAOYSA-N 1 2 298.350 0.963 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)c[nH]1 ZINC000602747844 362780667 /nfs/dbraw/zinc/78/06/67/362780667.db2.gz GEMUTKXLCDLUOK-UHFFFAOYSA-N 1 2 276.340 0.833 20 30 CCEDLO COCCCn1nccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602748307 362781493 /nfs/dbraw/zinc/78/14/93/362781493.db2.gz MBLVQTHWGBEIHI-UHFFFAOYSA-N 1 2 291.399 0.951 20 30 CCEDLO CCN(C#N)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000602783273 362798983 /nfs/dbraw/zinc/79/89/83/362798983.db2.gz OICNHQANYGDUMT-UHFFFAOYSA-N 1 2 279.388 0.337 20 30 CCEDLO CCNC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602757261 362787638 /nfs/dbraw/zinc/78/76/38/362787638.db2.gz SXPXBUOSSRVQBZ-UHFFFAOYSA-N 1 2 264.373 0.434 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@@H](C)N1CC#N ZINC000602853995 362840907 /nfs/dbraw/zinc/84/09/07/362840907.db2.gz NGBCDVMWSIGVPB-CHWSQXEVSA-N 1 2 278.400 0.773 20 30 CCEDLO C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H](C)N1CC#N ZINC000602855098 362842604 /nfs/dbraw/zinc/84/26/04/362842604.db2.gz RSXHRUSWMJWGJE-BETUJISGSA-N 1 2 299.440 0.729 20 30 CCEDLO C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H](C)N1CC#N ZINC000602855098 362842608 /nfs/dbraw/zinc/84/26/08/362842608.db2.gz RSXHRUSWMJWGJE-BETUJISGSA-N 1 2 299.440 0.729 20 30 CCEDLO CC(C)(C#N)CC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602861407 362846009 /nfs/dbraw/zinc/84/60/09/362846009.db2.gz AAXBKXPDXFFSAH-UHFFFAOYSA-N 1 2 262.361 0.862 20 30 CCEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000089423107 136798692 /nfs/dbraw/zinc/79/86/92/136798692.db2.gz RFNHAQZEHGJPEB-UHFFFAOYSA-N 1 2 289.335 0.074 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000602865112 362849361 /nfs/dbraw/zinc/84/93/61/362849361.db2.gz WJSMSTROOBWTJZ-VXGBXAGGSA-N 1 2 280.372 0.395 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915247 137086194 /nfs/dbraw/zinc/08/61/94/137086194.db2.gz IJHBPFYENAFHAW-AAEUAGOBSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915247 137086195 /nfs/dbraw/zinc/08/61/95/137086195.db2.gz IJHBPFYENAFHAW-AAEUAGOBSA-N 1 2 294.376 0.787 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000128635873 187381618 /nfs/dbraw/zinc/38/16/18/187381618.db2.gz OZTQYUPDORLYPH-VIFPVBQESA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000128635873 187381619 /nfs/dbraw/zinc/38/16/19/187381619.db2.gz OZTQYUPDORLYPH-VIFPVBQESA-N 1 2 285.394 0.743 20 30 CCEDLO N#Cc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000342916090 137103504 /nfs/dbraw/zinc/10/35/04/137103504.db2.gz AYELTHSVXQMBGW-LBPRGKRZSA-N 1 2 281.275 0.949 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000343884525 137163892 /nfs/dbraw/zinc/16/38/92/137163892.db2.gz XRFDDMKEHDMSQV-UHFFFAOYSA-N 1 2 297.318 0.338 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000602871171 362852252 /nfs/dbraw/zinc/85/22/52/362852252.db2.gz YRESYZSUEFPDSO-VIFPVBQESA-N 1 2 252.318 0.647 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccc(C#N)cc1 ZINC000042404788 348278901 /nfs/dbraw/zinc/27/89/01/348278901.db2.gz FQIGQLVRHLCVDG-UHFFFAOYSA-N 1 2 288.351 0.955 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccc(C#N)cc1 ZINC000042404788 348278906 /nfs/dbraw/zinc/27/89/06/348278906.db2.gz FQIGQLVRHLCVDG-UHFFFAOYSA-N 1 2 288.351 0.955 20 30 CCEDLO Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)n1C ZINC000602941822 362899699 /nfs/dbraw/zinc/89/96/99/362899699.db2.gz JYVBZONVGXSIOZ-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO Cc1ccc(C#N)c(N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000346824862 137306398 /nfs/dbraw/zinc/30/63/98/137306398.db2.gz HCDGYJMYCIOFQJ-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973757 362916389 /nfs/dbraw/zinc/91/63/89/362916389.db2.gz FCRCSRXHTJIZAC-WDEREUQCSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973757 362916396 /nfs/dbraw/zinc/91/63/96/362916396.db2.gz FCRCSRXHTJIZAC-WDEREUQCSA-N 1 2 264.329 0.622 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047857459 348389840 /nfs/dbraw/zinc/38/98/40/348389840.db2.gz ZOSYYPNGQSMUOV-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000347624720 137346302 /nfs/dbraw/zinc/34/63/02/137346302.db2.gz HOQTYJYLLCTGCK-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)CCO1 ZINC000347624720 137346303 /nfs/dbraw/zinc/34/63/03/137346303.db2.gz HOQTYJYLLCTGCK-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO C[C@H](C(=O)Nc1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000347911576 137363293 /nfs/dbraw/zinc/36/32/93/137363293.db2.gz LGLCSVKLMWIXLS-SECBINFHSA-N 1 2 285.311 0.810 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791109 348494331 /nfs/dbraw/zinc/49/43/31/348494331.db2.gz ODTNRECDNYYGBQ-UHFFFAOYSA-N 1 2 269.389 0.821 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791109 348494335 /nfs/dbraw/zinc/49/43/35/348494335.db2.gz ODTNRECDNYYGBQ-UHFFFAOYSA-N 1 2 269.389 0.821 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000051791269 348494776 /nfs/dbraw/zinc/49/47/76/348494776.db2.gz YUOWAVNWBRVUCY-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000051791269 348494779 /nfs/dbraw/zinc/49/47/79/348494779.db2.gz YUOWAVNWBRVUCY-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000052687883 348513150 /nfs/dbraw/zinc/51/31/50/348513150.db2.gz ACHAJELDKSTFSF-KBPBESRZSA-N 1 2 278.400 0.632 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000066496107 348745915 /nfs/dbraw/zinc/74/59/15/348745915.db2.gz FHGAYDXYRMQVRV-LBPRGKRZSA-N 1 2 292.335 0.839 20 30 CCEDLO COCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068957622 348827903 /nfs/dbraw/zinc/82/79/03/348827903.db2.gz GLZNJNSDIVYRFL-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1ccccc1 ZINC000072906902 348937510 /nfs/dbraw/zinc/93/75/10/348937510.db2.gz SOUVUTCRHLXGSB-UHFFFAOYSA-N 1 2 269.304 0.903 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000076667733 349088508 /nfs/dbraw/zinc/08/85/08/349088508.db2.gz CXWJGBRANPRMSJ-UHFFFAOYSA-N 1 2 274.324 0.154 20 30 CCEDLO C#CC[N@@H+](CCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000077282796 349105072 /nfs/dbraw/zinc/10/50/72/349105072.db2.gz BTUWVFLSQHTDAN-ZDUSSCGKSA-N 1 2 281.381 0.085 20 30 CCEDLO C#CC[N@H+](CCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000077282796 349105074 /nfs/dbraw/zinc/10/50/74/349105074.db2.gz BTUWVFLSQHTDAN-ZDUSSCGKSA-N 1 2 281.381 0.085 20 30 CCEDLO C[C@@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCOCC1 ZINC000081658896 349279571 /nfs/dbraw/zinc/27/95/71/349279571.db2.gz QVTDVBVRIGGECZ-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000090698795 180026608 /nfs/dbraw/zinc/02/66/08/180026608.db2.gz PCYACNNVZBHEKM-CQSZACIVSA-N 1 2 270.336 0.288 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000138953848 350444831 /nfs/dbraw/zinc/44/48/31/350444831.db2.gz OULOCMYELMEWFU-GFCCVEGCSA-N 1 2 294.424 0.951 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603092043 362958390 /nfs/dbraw/zinc/95/83/90/362958390.db2.gz SUSAFEKKNZBMIY-JSGCOSHPSA-N 1 2 292.360 0.399 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603092043 362958395 /nfs/dbraw/zinc/95/83/95/362958395.db2.gz SUSAFEKKNZBMIY-JSGCOSHPSA-N 1 2 292.360 0.399 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090329 362957844 /nfs/dbraw/zinc/95/78/44/362957844.db2.gz QQONJAWQZUTJDW-IXPVHAAZSA-N 1 2 271.320 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090329 362957850 /nfs/dbraw/zinc/95/78/50/362957850.db2.gz QQONJAWQZUTJDW-IXPVHAAZSA-N 1 2 271.320 0.952 20 30 CCEDLO N#Cc1cc(Cn2cc(CC[NH+]3CCOCC3)nn2)ccn1 ZINC000603222694 363007256 /nfs/dbraw/zinc/00/72/56/363007256.db2.gz LNBWMAHBRALDNK-UHFFFAOYSA-N 1 2 298.350 0.468 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000175982836 351153272 /nfs/dbraw/zinc/15/32/72/351153272.db2.gz GWAINVOLSQDLKA-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000175982836 351153275 /nfs/dbraw/zinc/15/32/75/351153275.db2.gz GWAINVOLSQDLKA-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO COc1cc(C#N)ccc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603241631 363018628 /nfs/dbraw/zinc/01/86/28/363018628.db2.gz UGPGXSKQMYVWKH-AWEZNQCLSA-N 1 2 299.334 0.868 20 30 CCEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000181284046 351310461 /nfs/dbraw/zinc/31/04/61/351310461.db2.gz XXQBIHODNCSIAD-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO CC[C@H](CC#N)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000603307914 363058245 /nfs/dbraw/zinc/05/82/45/363058245.db2.gz GIPQRKHOOXVPIO-SNVBAGLBSA-N 1 2 256.331 0.495 20 30 CCEDLO CC1(C#N)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603301728 363054877 /nfs/dbraw/zinc/05/48/77/363054877.db2.gz BLHKUMZSKTYPDR-UHFFFAOYSA-N 1 2 282.369 0.839 20 30 CCEDLO C[C@@H](C#N)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193226401 351817395 /nfs/dbraw/zinc/81/73/95/351817395.db2.gz QFWHIHZDTIPESD-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](C#N)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193226401 351817397 /nfs/dbraw/zinc/81/73/97/351817397.db2.gz QFWHIHZDTIPESD-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](C#N)N(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603386690 363103101 /nfs/dbraw/zinc/10/31/01/363103101.db2.gz JHFINZBQJPQZGU-JTQLQIEISA-N 1 2 268.342 0.589 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)CO)cc1 ZINC000228737681 352083292 /nfs/dbraw/zinc/08/32/92/352083292.db2.gz DSEVQXUFZLCDFT-NSHDSACASA-N 1 2 286.278 0.515 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000271477301 191160881 /nfs/dbraw/zinc/16/08/81/191160881.db2.gz WXYCXLFAOYMFBF-UHFFFAOYSA-N 1 2 279.384 0.588 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000603868580 363164257 /nfs/dbraw/zinc/16/42/57/363164257.db2.gz VPYRDVOJVLQLLV-UHFFFAOYSA-N 1 2 289.335 0.893 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000603868580 363164259 /nfs/dbraw/zinc/16/42/59/363164259.db2.gz VPYRDVOJVLQLLV-UHFFFAOYSA-N 1 2 289.335 0.893 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603934433 363173806 /nfs/dbraw/zinc/17/38/06/363173806.db2.gz XYIJRLSZFFSBLV-BXUZGUMPSA-N 1 2 282.388 0.497 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603934433 363173811 /nfs/dbraw/zinc/17/38/11/363173811.db2.gz XYIJRLSZFFSBLV-BXUZGUMPSA-N 1 2 282.388 0.497 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248397146 352439150 /nfs/dbraw/zinc/43/91/50/352439150.db2.gz RHSRAYMYBXCUCH-QWHCGFSZSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248397146 352439154 /nfs/dbraw/zinc/43/91/54/352439154.db2.gz RHSRAYMYBXCUCH-QWHCGFSZSA-N 1 2 250.273 0.625 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251060984 352508840 /nfs/dbraw/zinc/50/88/40/352508840.db2.gz VLZWFNZGHOFVMD-QWRGUYRKSA-N 1 2 257.359 0.398 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251060984 352508841 /nfs/dbraw/zinc/50/88/41/352508841.db2.gz VLZWFNZGHOFVMD-QWRGUYRKSA-N 1 2 257.359 0.398 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccco1 ZINC000268799808 352829392 /nfs/dbraw/zinc/82/93/92/352829392.db2.gz JZWKAKDWPNKGAU-UHFFFAOYSA-N 1 2 291.351 0.897 20 30 CCEDLO Cc1nc(N2CCN(c3nccnc3C#N)CC2)cc[nH+]1 ZINC000273505574 353112626 /nfs/dbraw/zinc/11/26/26/353112626.db2.gz OYOMXLDQITWDMO-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC000282136035 353396810 /nfs/dbraw/zinc/39/68/10/353396810.db2.gz BRFWHMPLJQHNBX-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC000282136035 353396814 /nfs/dbraw/zinc/39/68/14/353396814.db2.gz BRFWHMPLJQHNBX-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)o1 ZINC000286592777 353597957 /nfs/dbraw/zinc/59/79/57/353597957.db2.gz SDPDWYHDZBWCPQ-UHFFFAOYSA-N 1 2 299.352 0.152 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000294323832 353887598 /nfs/dbraw/zinc/88/75/98/353887598.db2.gz HSSLZYYSVDYXRP-CYBMUJFWSA-N 1 2 276.336 0.962 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(N)=O ZINC000298701050 353964721 /nfs/dbraw/zinc/96/47/21/353964721.db2.gz ZXSJDCZNSLMDCC-LLVKDONJSA-N 1 2 259.309 0.705 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(N)=O ZINC000298701050 353964722 /nfs/dbraw/zinc/96/47/22/353964722.db2.gz ZXSJDCZNSLMDCC-LLVKDONJSA-N 1 2 259.309 0.705 20 30 CCEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccn1 ZINC000299693093 354040123 /nfs/dbraw/zinc/04/01/23/354040123.db2.gz VERHUBSUEHVPRR-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC(=O)NC1CC1)CCO2 ZINC000329907617 354271374 /nfs/dbraw/zinc/27/13/74/354271374.db2.gz LBDZAUBFFHSHQW-HZMBPMFUSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC(=O)NC1CC1)CCO2 ZINC000329907617 354271376 /nfs/dbraw/zinc/27/13/76/354271376.db2.gz LBDZAUBFFHSHQW-HZMBPMFUSA-N 1 2 297.355 0.899 20 30 CCEDLO N#Cc1cnc(C(=O)N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000331194033 354486525 /nfs/dbraw/zinc/48/65/25/354486525.db2.gz MPJRAIBEXMCFJD-UHFFFAOYSA-N 1 2 294.742 0.357 20 30 CCEDLO Cc1cc(N[C@H]2CCS(=O)(=O)[C@H]2C)c(C#N)c[nH+]1 ZINC000333508207 354760620 /nfs/dbraw/zinc/76/06/20/354760620.db2.gz TULOHSVNQSAGKT-ONGXEEELSA-N 1 2 265.338 0.671 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000341640635 355709332 /nfs/dbraw/zinc/70/93/32/355709332.db2.gz PDQNFDWPECCFEF-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000341640635 355709334 /nfs/dbraw/zinc/70/93/34/355709334.db2.gz PDQNFDWPECCFEF-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000342749403 355736142 /nfs/dbraw/zinc/73/61/42/355736142.db2.gz LRLVTSGYNOWUSU-WDEREUQCSA-N 1 2 287.327 0.360 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000608778011 363461619 /nfs/dbraw/zinc/46/16/19/363461619.db2.gz KEQFTTZYCWSYRA-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000608778011 363461622 /nfs/dbraw/zinc/46/16/22/363461622.db2.gz KEQFTTZYCWSYRA-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000609485173 363498521 /nfs/dbraw/zinc/49/85/21/363498521.db2.gz KUAXUXUADCKYFY-CYBMUJFWSA-N 1 2 264.373 0.384 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000609663237 363513450 /nfs/dbraw/zinc/51/34/50/363513450.db2.gz NVZQWLIAEXWBPH-UHFFFAOYSA-N 1 2 253.265 0.847 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CCOC[C@H]3C#N)[nH+]c12 ZINC000610247198 363542825 /nfs/dbraw/zinc/54/28/25/363542825.db2.gz AFIDCTPCPLYQNI-CYBMUJFWSA-N 1 2 284.319 0.936 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000610342041 363552180 /nfs/dbraw/zinc/55/21/80/363552180.db2.gz KGTMMEARGCHITL-PWSUYJOCSA-N 1 2 261.329 0.807 20 30 CCEDLO C=C[C@@H](NCC(C)(C)[NH+]1CCOCC1)C(=O)OC ZINC000619699950 366323906 /nfs/dbraw/zinc/32/39/06/366323906.db2.gz SQXOUFFCJLTXPX-LLVKDONJSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCOC)CC1 ZINC000619716075 366334725 /nfs/dbraw/zinc/33/47/25/366334725.db2.gz NQIZOSUVVINFNP-GFCCVEGCSA-N 1 2 284.356 0.189 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000619718102 366337800 /nfs/dbraw/zinc/33/78/00/366337800.db2.gz YFFACGVLUNYMBZ-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000619718102 366337806 /nfs/dbraw/zinc/33/78/06/366337806.db2.gz YFFACGVLUNYMBZ-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO N#Cc1cc2c(nc1N1CCC[N@@H+](CC(N)=O)CC1)CCC2 ZINC000377452387 357576139 /nfs/dbraw/zinc/57/61/39/357576139.db2.gz YFGXVWKATLRLLX-UHFFFAOYSA-N 1 2 299.378 0.439 20 30 CCEDLO N#Cc1cc2c(nc1N1CCC[N@H+](CC(N)=O)CC1)CCC2 ZINC000377452387 357576143 /nfs/dbraw/zinc/57/61/43/357576143.db2.gz YFGXVWKATLRLLX-UHFFFAOYSA-N 1 2 299.378 0.439 20 30 CCEDLO COCCN1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000407993846 357856471 /nfs/dbraw/zinc/85/64/71/357856471.db2.gz VCENACRWTDYIEH-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO COCCN1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000407993846 357856472 /nfs/dbraw/zinc/85/64/72/357856472.db2.gz VCENACRWTDYIEH-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@H](O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463257 358256234 /nfs/dbraw/zinc/25/62/34/358256234.db2.gz NLGXYCVLYGPIKE-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO C[C@H](O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000450463257 358256236 /nfs/dbraw/zinc/25/62/36/358256236.db2.gz NLGXYCVLYGPIKE-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO C[C@H](O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450463257 358256240 /nfs/dbraw/zinc/25/62/40/358256240.db2.gz NLGXYCVLYGPIKE-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000491661370 358296120 /nfs/dbraw/zinc/29/61/20/358296120.db2.gz AXMQXVSHUULZNI-DOMZBBRYSA-N 1 2 287.363 0.543 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000491661370 358296121 /nfs/dbraw/zinc/29/61/21/358296121.db2.gz AXMQXVSHUULZNI-DOMZBBRYSA-N 1 2 287.363 0.543 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000543805271 358548753 /nfs/dbraw/zinc/54/87/53/358548753.db2.gz JXTLNGKKVKWAKX-GHMZBOCLSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000543805271 358548760 /nfs/dbraw/zinc/54/87/60/358548760.db2.gz JXTLNGKKVKWAKX-GHMZBOCLSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570126931 358825603 /nfs/dbraw/zinc/82/56/03/358825603.db2.gz QCMXNOKSEFIBFU-UTUOFQBUSA-N 1 2 253.346 0.714 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570126931 358825610 /nfs/dbraw/zinc/82/56/10/358825610.db2.gz QCMXNOKSEFIBFU-UTUOFQBUSA-N 1 2 253.346 0.714 20 30 CCEDLO CN(C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000574089621 359028232 /nfs/dbraw/zinc/02/82/32/359028232.db2.gz PNHRCFGOZZQWDZ-AWEZNQCLSA-N 1 2 299.338 0.236 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000573624560 358985714 /nfs/dbraw/zinc/98/57/14/358985714.db2.gz YXIYNWAIRFPNHP-JTQLQIEISA-N 1 2 272.312 0.759 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000573624560 358985716 /nfs/dbraw/zinc/98/57/16/358985716.db2.gz YXIYNWAIRFPNHP-JTQLQIEISA-N 1 2 272.312 0.759 20 30 CCEDLO COCC[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)C(N)=O ZINC000610992767 363643775 /nfs/dbraw/zinc/64/37/75/363643775.db2.gz IRYHQAAVQOULAC-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)C(N)=O ZINC000610992767 363643780 /nfs/dbraw/zinc/64/37/80/363643780.db2.gz IRYHQAAVQOULAC-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@@H+]1CCO ZINC000589208040 359369254 /nfs/dbraw/zinc/36/92/54/359369254.db2.gz OZNOJEZOMPYFCV-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1CCO ZINC000589208040 359369257 /nfs/dbraw/zinc/36/92/57/359369257.db2.gz OZNOJEZOMPYFCV-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n[nH]1 ZINC000590167166 359428398 /nfs/dbraw/zinc/42/83/98/359428398.db2.gz ZOSVDWSAUASGTE-CHWSQXEVSA-N 1 2 274.372 0.923 20 30 CCEDLO N#Cc1ccc(OCCNc2[nH+]cnc3c2OCCN3)cc1 ZINC000591147724 359562786 /nfs/dbraw/zinc/56/27/86/359562786.db2.gz FUKWSPVIVNCEGI-UHFFFAOYSA-N 1 2 297.318 0.756 20 30 CCEDLO N#Cc1ccc(OCCNc2nc[nH+]c3c2OCCN3)cc1 ZINC000591147724 359562791 /nfs/dbraw/zinc/56/27/91/359562791.db2.gz FUKWSPVIVNCEGI-UHFFFAOYSA-N 1 2 297.318 0.756 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000591344410 359579608 /nfs/dbraw/zinc/57/96/08/359579608.db2.gz HQMSLMUPOBXLLX-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO Cc1cc(NCc2nnnn2C2CC2)c(C#N)c[nH+]1 ZINC000591820984 359663321 /nfs/dbraw/zinc/66/33/21/359663321.db2.gz XDLXRLIMTMBHIF-UHFFFAOYSA-N 1 2 255.285 0.617 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000591974666 359716466 /nfs/dbraw/zinc/71/64/66/359716466.db2.gz PDNMVNPRVRESHH-GFCCVEGCSA-N 1 2 261.285 0.136 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000591974666 359716470 /nfs/dbraw/zinc/71/64/70/359716470.db2.gz PDNMVNPRVRESHH-GFCCVEGCSA-N 1 2 261.285 0.136 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000592149797 359769221 /nfs/dbraw/zinc/76/92/21/359769221.db2.gz WOZYFBIDURVVBF-HNNXBMFYSA-N 1 2 283.335 0.893 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000592149797 359769227 /nfs/dbraw/zinc/76/92/27/359769227.db2.gz WOZYFBIDURVVBF-HNNXBMFYSA-N 1 2 283.335 0.893 20 30 CCEDLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151417 359770463 /nfs/dbraw/zinc/77/04/63/359770463.db2.gz ORGDEUBKKKTJTN-CYBMUJFWSA-N 1 2 251.330 0.205 20 30 CCEDLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151417 359770469 /nfs/dbraw/zinc/77/04/69/359770469.db2.gz ORGDEUBKKKTJTN-CYBMUJFWSA-N 1 2 251.330 0.205 20 30 CCEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611175773 363671751 /nfs/dbraw/zinc/67/17/51/363671751.db2.gz KAJQGXXHCDMRRA-CQSZACIVSA-N 1 2 278.400 0.776 20 30 CCEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)[nH]n1 ZINC000592524923 359870248 /nfs/dbraw/zinc/87/02/48/359870248.db2.gz IPDIPDJKZFUCFM-CYBMUJFWSA-N 1 2 278.312 0.437 20 30 CCEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)[nH]n1 ZINC000592524923 359870251 /nfs/dbraw/zinc/87/02/51/359870251.db2.gz IPDIPDJKZFUCFM-CYBMUJFWSA-N 1 2 278.312 0.437 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297719133 200268004 /nfs/dbraw/zinc/26/80/04/200268004.db2.gz BTGIAKVMXJJRGD-ZDUSSCGKSA-N 1 2 286.335 0.341 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297719133 200268006 /nfs/dbraw/zinc/26/80/06/200268006.db2.gz BTGIAKVMXJJRGD-ZDUSSCGKSA-N 1 2 286.335 0.341 20 30 CCEDLO COC(=O)CCN1CC[C@H]([NH2+][C@H](C)CC#N)C1=O ZINC000611229637 363689463 /nfs/dbraw/zinc/68/94/63/363689463.db2.gz QSCTYTILKATXFM-ZJUUUORDSA-N 1 2 253.302 0.042 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC1CCN(CC#N)CC1 ZINC000611246291 363697012 /nfs/dbraw/zinc/69/70/12/363697012.db2.gz SJOPLFKQIYUXAW-UHFFFAOYSA-N 1 2 273.340 0.921 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000297756316 200276298 /nfs/dbraw/zinc/27/62/98/200276298.db2.gz POPVGPNDXGXLCQ-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611282285 363701111 /nfs/dbraw/zinc/70/11/11/363701111.db2.gz DSSXHEYSXMIMLL-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000611237616 363691059 /nfs/dbraw/zinc/69/10/59/363691059.db2.gz QEAUDTZSSWTGQY-CMPLNLGQSA-N 1 2 254.330 0.925 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000611237616 363691065 /nfs/dbraw/zinc/69/10/65/363691065.db2.gz QEAUDTZSSWTGQY-CMPLNLGQSA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)CC(C)(C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154890 360048248 /nfs/dbraw/zinc/04/82/48/360048248.db2.gz POCXVVXJFSNCTP-CQSZACIVSA-N 1 2 283.372 0.926 20 30 CCEDLO COCCN1CCC[N@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000593974164 360225120 /nfs/dbraw/zinc/22/51/20/360225120.db2.gz SNKOPBLOLCMGOP-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO COCCN1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000593974164 360225121 /nfs/dbraw/zinc/22/51/21/360225121.db2.gz SNKOPBLOLCMGOP-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO COCC[N@H+](C)Cc1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645667 360345445 /nfs/dbraw/zinc/34/54/45/360345445.db2.gz POXOORJFZNFFSO-UHFFFAOYSA-N 1 2 289.343 0.125 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645667 360345452 /nfs/dbraw/zinc/34/54/52/360345452.db2.gz POXOORJFZNFFSO-UHFFFAOYSA-N 1 2 289.343 0.125 20 30 CCEDLO C[N@H+](CCO)Cc1cn(-c2ccccc2C#N)nn1 ZINC000594652508 360352285 /nfs/dbraw/zinc/35/22/85/360352285.db2.gz SFBMGTDFGJHDSG-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(-c2ccccc2C#N)nn1 ZINC000594652508 360352289 /nfs/dbraw/zinc/35/22/89/360352289.db2.gz SFBMGTDFGJHDSG-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501747 363727469 /nfs/dbraw/zinc/72/74/69/363727469.db2.gz HWNVWUIHZPIQGP-VHSXEESVSA-N 1 2 257.309 0.678 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501747 363727472 /nfs/dbraw/zinc/72/74/72/363727472.db2.gz HWNVWUIHZPIQGP-VHSXEESVSA-N 1 2 257.309 0.678 20 30 CCEDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000611532637 363734921 /nfs/dbraw/zinc/73/49/21/363734921.db2.gz NOHSSLZLDUTXQU-LBPRGKRZSA-N 1 2 290.371 0.518 20 30 CCEDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000611532637 363734927 /nfs/dbraw/zinc/73/49/27/363734927.db2.gz NOHSSLZLDUTXQU-LBPRGKRZSA-N 1 2 290.371 0.518 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576504 363742688 /nfs/dbraw/zinc/74/26/88/363742688.db2.gz BHILHJLCZWPFLI-SECBINFHSA-N 1 2 291.298 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576504 363742689 /nfs/dbraw/zinc/74/26/89/363742689.db2.gz BHILHJLCZWPFLI-SECBINFHSA-N 1 2 291.298 0.702 20 30 CCEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000595242528 360454271 /nfs/dbraw/zinc/45/42/71/360454271.db2.gz UFRYFNDDEOZWND-ZDUSSCGKSA-N 1 2 273.296 0.195 20 30 CCEDLO N#Cc1ccc(CC[N@@H+]2CCn3c(=O)[nH]nc3C2)cc1 ZINC000595438390 360532764 /nfs/dbraw/zinc/53/27/64/360532764.db2.gz OWIJYGXAKFYOSL-UHFFFAOYSA-N 1 2 269.308 0.914 20 30 CCEDLO N#Cc1ccc(CC[N@H+]2CCn3c(=O)[nH]nc3C2)cc1 ZINC000595438390 360532766 /nfs/dbraw/zinc/53/27/66/360532766.db2.gz OWIJYGXAKFYOSL-UHFFFAOYSA-N 1 2 269.308 0.914 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H](C#N)c1ccccc1 ZINC000595342685 360501323 /nfs/dbraw/zinc/50/13/23/360501323.db2.gz GCJOJBJYMHJICW-HOTGVXAUSA-N 1 2 289.379 0.876 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382302 360514216 /nfs/dbraw/zinc/51/42/16/360514216.db2.gz FBDSVVCHKOVPRA-VHSXEESVSA-N 1 2 285.373 0.407 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1[nH+]ccn1C ZINC000595383910 360514966 /nfs/dbraw/zinc/51/49/66/360514966.db2.gz QHSJPYUSVSSRAP-VIFPVBQESA-N 1 2 291.336 0.726 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547780 360575771 /nfs/dbraw/zinc/57/57/71/360575771.db2.gz RWRDXGJGDHANMA-TVQRCGJNSA-N 1 2 295.343 0.650 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547780 360575778 /nfs/dbraw/zinc/57/57/78/360575778.db2.gz RWRDXGJGDHANMA-TVQRCGJNSA-N 1 2 295.343 0.650 20 30 CCEDLO COC(=O)C[N@H+](CC(=O)NCC#N)C1CCCCC1 ZINC000595664219 360612334 /nfs/dbraw/zinc/61/23/34/360612334.db2.gz QOXWQMZZQIPXBP-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)C[N@@H+](CC(=O)NCC#N)C1CCCCC1 ZINC000595664219 360612339 /nfs/dbraw/zinc/61/23/39/360612339.db2.gz QOXWQMZZQIPXBP-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO C[C@H](C#N)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000595715783 360627614 /nfs/dbraw/zinc/62/76/14/360627614.db2.gz DLWMSVHIAMFMPM-DGCLKSJQSA-N 1 2 253.346 0.056 20 30 CCEDLO C[N@H+](C[C@@H]1COCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736953 360633925 /nfs/dbraw/zinc/63/39/25/360633925.db2.gz ODJAFSARIJGKEK-ZIAGYGMSSA-N 1 2 289.335 0.432 20 30 CCEDLO C[N@@H+](C[C@@H]1COCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736953 360633928 /nfs/dbraw/zinc/63/39/28/360633928.db2.gz ODJAFSARIJGKEK-ZIAGYGMSSA-N 1 2 289.335 0.432 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC(CO)(CO)C2)cc1 ZINC000595799988 360657261 /nfs/dbraw/zinc/65/72/61/360657261.db2.gz OQGGQJJQAKMFCS-UHFFFAOYSA-N 1 2 289.335 0.173 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000595799988 360657264 /nfs/dbraw/zinc/65/72/64/360657264.db2.gz OQGGQJJQAKMFCS-UHFFFAOYSA-N 1 2 289.335 0.173 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595829405 360669501 /nfs/dbraw/zinc/66/95/01/360669501.db2.gz QEALIEWTGVFVEH-RYUDHWBXSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595829405 360669505 /nfs/dbraw/zinc/66/95/05/360669505.db2.gz QEALIEWTGVFVEH-RYUDHWBXSA-N 1 2 266.341 0.658 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838597 360674330 /nfs/dbraw/zinc/67/43/30/360674330.db2.gz BZHAXOBYKSTJSB-ZDUSSCGKSA-N 1 2 264.329 0.552 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838597 360674340 /nfs/dbraw/zinc/67/43/40/360674340.db2.gz BZHAXOBYKSTJSB-ZDUSSCGKSA-N 1 2 264.329 0.552 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840686 360676444 /nfs/dbraw/zinc/67/64/44/360676444.db2.gz CLNRQVPTUCZQSC-BXUZGUMPSA-N 1 2 279.340 0.386 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840686 360676452 /nfs/dbraw/zinc/67/64/52/360676452.db2.gz CLNRQVPTUCZQSC-BXUZGUMPSA-N 1 2 279.340 0.386 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000596104250 360795477 /nfs/dbraw/zinc/79/54/77/360795477.db2.gz IPHOBPCJRBVCIQ-GFCCVEGCSA-N 1 2 288.399 0.380 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000596104251 360795846 /nfs/dbraw/zinc/79/58/46/360795846.db2.gz IPHOBPCJRBVCIQ-LBPRGKRZSA-N 1 2 288.399 0.380 20 30 CCEDLO N#Cc1cccc(NC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000179043418 189164779 /nfs/dbraw/zinc/16/47/79/189164779.db2.gz PSGZPLIZQPTSIX-CQSZACIVSA-N 1 2 285.351 0.680 20 30 CCEDLO CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000596234573 360847277 /nfs/dbraw/zinc/84/72/77/360847277.db2.gz MYTIODYZBJNSBH-LBPRGKRZSA-N 1 2 258.325 0.964 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)cnn1 ZINC000596214795 360838177 /nfs/dbraw/zinc/83/81/77/360838177.db2.gz LSLWQDOZEPKNCM-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cncc(C#N)n2)[C@@H](C)CO1 ZINC000596432135 360892777 /nfs/dbraw/zinc/89/27/77/360892777.db2.gz QNFKHNKJEMFXLE-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cncc(C#N)n2)[C@@H](C)CO1 ZINC000596432135 360892783 /nfs/dbraw/zinc/89/27/83/360892783.db2.gz QNFKHNKJEMFXLE-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000597306339 361057219 /nfs/dbraw/zinc/05/72/19/361057219.db2.gz HXCDMQBSEIUGHE-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)CC#N)CC2)cc[nH+]1 ZINC000597504358 361118547 /nfs/dbraw/zinc/11/85/47/361118547.db2.gz LHBYEVLHKCLXHN-NSHDSACASA-N 1 2 273.340 0.983 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C#N)[C@H](C)CO1 ZINC000597999937 361305882 /nfs/dbraw/zinc/30/58/82/361305882.db2.gz TUOQKHDVOZJQTF-GHMZBOCLSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C#N)[C@H](C)CO1 ZINC000597999937 361305889 /nfs/dbraw/zinc/30/58/89/361305889.db2.gz TUOQKHDVOZJQTF-GHMZBOCLSA-N 1 2 253.346 0.762 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000599335706 361656919 /nfs/dbraw/zinc/65/69/19/361656919.db2.gz AUIMQUMZFUPQIV-KGLIPLIRSA-N 1 2 297.399 0.466 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(CC#N)CC1)CC2 ZINC000599538678 361731210 /nfs/dbraw/zinc/73/12/10/361731210.db2.gz VQWIJDLZRXNEOK-CYBMUJFWSA-N 1 2 287.367 0.422 20 30 CCEDLO N#CCCN1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000613127552 364119348 /nfs/dbraw/zinc/11/93/48/364119348.db2.gz DIPQZOVDFPNOSD-VIFPVBQESA-N 1 2 251.252 0.441 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613252140 364180725 /nfs/dbraw/zinc/18/07/25/364180725.db2.gz CCADWADADMQZOS-IJLUTSLNSA-N 1 2 263.341 0.824 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000614174948 364520192 /nfs/dbraw/zinc/52/01/92/364520192.db2.gz YFQGGEZTGKLVGY-MBNYWOFBSA-N 1 2 270.373 0.491 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000614174948 364520200 /nfs/dbraw/zinc/52/02/00/364520200.db2.gz YFQGGEZTGKLVGY-MBNYWOFBSA-N 1 2 270.373 0.491 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000614174949 364520804 /nfs/dbraw/zinc/52/08/04/364520804.db2.gz YFQGGEZTGKLVGY-SCRDCRAPSA-N 1 2 270.373 0.491 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000614174949 364520811 /nfs/dbraw/zinc/52/08/11/364520811.db2.gz YFQGGEZTGKLVGY-SCRDCRAPSA-N 1 2 270.373 0.491 20 30 CCEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000614183394 364523521 /nfs/dbraw/zinc/52/35/21/364523521.db2.gz RBHKFEGRXKPITB-ZDUSSCGKSA-N 1 2 289.335 0.015 20 30 CCEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000614183394 364523528 /nfs/dbraw/zinc/52/35/28/364523528.db2.gz RBHKFEGRXKPITB-ZDUSSCGKSA-N 1 2 289.335 0.015 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000614688649 364698242 /nfs/dbraw/zinc/69/82/42/364698242.db2.gz YAVBNAQXVTUIBI-SNVBAGLBSA-N 1 2 285.311 0.047 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062725 412737506 /nfs/dbraw/zinc/73/75/06/412737506.db2.gz QONQMNYPULNOOD-RWMBFGLXSA-N 1 2 297.399 0.245 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062725 412737511 /nfs/dbraw/zinc/73/75/11/412737511.db2.gz QONQMNYPULNOOD-RWMBFGLXSA-N 1 2 297.399 0.245 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000615429150 364948565 /nfs/dbraw/zinc/94/85/65/364948565.db2.gz UHHHWYZVUKAUQT-HZMBPMFUSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000615429150 364948571 /nfs/dbraw/zinc/94/85/71/364948571.db2.gz UHHHWYZVUKAUQT-HZMBPMFUSA-N 1 2 289.335 0.713 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)nc1C#N ZINC000615691144 365053482 /nfs/dbraw/zinc/05/34/82/365053482.db2.gz QEKOIDYBCVGPKW-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776339 365086391 /nfs/dbraw/zinc/08/63/91/365086391.db2.gz MNQHTNQCYQDYKR-SNVBAGLBSA-N 1 2 266.345 0.005 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776339 365086397 /nfs/dbraw/zinc/08/63/97/365086397.db2.gz MNQHTNQCYQDYKR-SNVBAGLBSA-N 1 2 266.345 0.005 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615787440 365089142 /nfs/dbraw/zinc/08/91/42/365089142.db2.gz GHDLLHFXWOVEFO-UTUOFQBUSA-N 1 2 263.341 0.801 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615787440 365089150 /nfs/dbraw/zinc/08/91/50/365089150.db2.gz GHDLLHFXWOVEFO-UTUOFQBUSA-N 1 2 263.341 0.801 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615755770 365079150 /nfs/dbraw/zinc/07/91/50/365079150.db2.gz XRBSKEWXXKLKFN-GFCCVEGCSA-N 1 2 276.340 0.834 20 30 CCEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2cnc(C#N)cn2)C1 ZINC000275685344 193105183 /nfs/dbraw/zinc/10/51/83/193105183.db2.gz MHIGTZJHFMXWLD-AWEZNQCLSA-N 1 2 287.367 0.895 20 30 CCEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2cnc(C#N)cn2)C1 ZINC000275685344 193105185 /nfs/dbraw/zinc/10/51/85/193105185.db2.gz MHIGTZJHFMXWLD-AWEZNQCLSA-N 1 2 287.367 0.895 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097477 368438733 /nfs/dbraw/zinc/43/87/33/368438733.db2.gz SMYJMAILPNPRRW-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097477 368438742 /nfs/dbraw/zinc/43/87/42/368438742.db2.gz SMYJMAILPNPRRW-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627977186 369153166 /nfs/dbraw/zinc/15/31/66/369153166.db2.gz JLLNTWPRFOQPTH-CHWSQXEVSA-N 1 2 275.352 0.644 20 30 CCEDLO C=CC[C@H](CC)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632301712 370972867 /nfs/dbraw/zinc/97/28/67/370972867.db2.gz LGBKVSNYKCKQLX-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CC[C@H](CC)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632301712 370972875 /nfs/dbraw/zinc/97/28/75/370972875.db2.gz LGBKVSNYKCKQLX-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C#CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739583 261196980 /nfs/dbraw/zinc/19/69/80/261196980.db2.gz JGBHYENGWZRMQW-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000490739583 261196981 /nfs/dbraw/zinc/19/69/81/261196981.db2.gz JGBHYENGWZRMQW-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cn1 ZINC000337357919 214026869 /nfs/dbraw/zinc/02/68/69/214026869.db2.gz CYHDFTFRIDPCIC-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1CC1 ZINC000491803823 332357705 /nfs/dbraw/zinc/35/77/05/332357705.db2.gz JLWLDZVCJJAXBP-UHFFFAOYSA-N 1 2 251.330 0.566 20 30 CCEDLO N#CCCN(CC[C@H]1CCNC1=O)CC[NH+]1CCOCC1 ZINC000574410336 335017621 /nfs/dbraw/zinc/01/76/21/335017621.db2.gz HEJJYSNAJVRLNH-CQSZACIVSA-N 1 2 294.399 0.060 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635767545 372879588 /nfs/dbraw/zinc/87/95/88/372879588.db2.gz VANXIOGREYGBKB-JTQLQIEISA-N 1 2 251.330 0.815 20 30 CCEDLO CC[N@H+](CC(=O)NCC#N)CC(=O)N1CCCCCC1 ZINC000353221784 284397898 /nfs/dbraw/zinc/39/78/98/284397898.db2.gz ZWWIVYWNAZBWRC-UHFFFAOYSA-N 1 2 280.372 0.351 20 30 CCEDLO CC[N@@H+](CC(=O)NCC#N)CC(=O)N1CCCCCC1 ZINC000353221784 284397900 /nfs/dbraw/zinc/39/79/00/284397900.db2.gz ZWWIVYWNAZBWRC-UHFFFAOYSA-N 1 2 280.372 0.351 20 30 CCEDLO C=CCOCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637033507 373889999 /nfs/dbraw/zinc/88/99/99/373889999.db2.gz YJPRAVZZMKUAJZ-JTQLQIEISA-N 1 2 250.302 0.310 20 30 CCEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637948071 374499709 /nfs/dbraw/zinc/49/97/09/374499709.db2.gz GRHUVAPUOADGKG-SECBINFHSA-N 1 2 293.289 0.384 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160142 376259764 /nfs/dbraw/zinc/25/97/64/376259764.db2.gz CZUTXHXJVURREA-ZDUSSCGKSA-N 1 2 296.392 0.629 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160142 376259769 /nfs/dbraw/zinc/25/97/69/376259769.db2.gz CZUTXHXJVURREA-ZDUSSCGKSA-N 1 2 296.392 0.629 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(C)cc(=O)[nH]2)nn1 ZINC000641145487 376807821 /nfs/dbraw/zinc/80/78/21/376807821.db2.gz KQHWXZAAPACPNG-LLVKDONJSA-N 1 2 286.339 0.804 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C)n2C2CC2)nn1 ZINC000641157316 376821544 /nfs/dbraw/zinc/82/15/44/376821544.db2.gz WWZFYNHIXZMWLL-UHFFFAOYSA-N 1 2 285.355 0.674 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C(C)C)[nH]2)nn1 ZINC000641171708 376841124 /nfs/dbraw/zinc/84/11/24/376841124.db2.gz VQOVSFSOAOOGBK-UHFFFAOYSA-N 1 2 273.344 0.681 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2n[nH]c(C(C)C)n2)nn1 ZINC000641171708 376841128 /nfs/dbraw/zinc/84/11/28/376841128.db2.gz VQOVSFSOAOOGBK-UHFFFAOYSA-N 1 2 273.344 0.681 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COCC(C)C)nn1 ZINC000641201813 376875484 /nfs/dbraw/zinc/87/54/84/376875484.db2.gz KOEGFDNJOKCUDK-CQSZACIVSA-N 1 2 280.372 0.425 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)C[C@@](C)(O)C2CC2)nn1 ZINC000641232725 376932696 /nfs/dbraw/zinc/93/26/96/376932696.db2.gz RXGCEPVGOBQEPK-HUUCEWRRSA-N 1 2 292.383 0.303 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)c2nccnc2C#N)C[C@H](C)O1 ZINC000278883527 194195564 /nfs/dbraw/zinc/19/55/64/194195564.db2.gz OVKZRKUTLJFVCH-TXEJJXNPSA-N 1 2 275.356 0.894 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)c2nccnc2C#N)C[C@H](C)O1 ZINC000278883527 194195567 /nfs/dbraw/zinc/19/55/67/194195567.db2.gz OVKZRKUTLJFVCH-TXEJJXNPSA-N 1 2 275.356 0.894 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)Cn1cnc(C#N)n1 ZINC000426410070 533089019 /nfs/dbraw/zinc/08/90/19/533089019.db2.gz KAVWVXGQFABDNW-UHFFFAOYSA-N 1 2 258.241 0.192 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286715963 388844581 /nfs/dbraw/zinc/84/45/81/388844581.db2.gz ZQLOHFXNPVWWAN-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO N#CCCN(Cc1ccco1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000033786346 388834910 /nfs/dbraw/zinc/83/49/10/388834910.db2.gz OBZOGGRNBGHMOP-AWEZNQCLSA-N 1 2 293.367 0.688 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1ccccn1 ZINC000287586090 388853790 /nfs/dbraw/zinc/85/37/90/388853790.db2.gz YBKOLEKASABWJB-UHFFFAOYSA-N 1 2 263.341 0.832 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1ccccn1 ZINC000287586090 388853793 /nfs/dbraw/zinc/85/37/93/388853793.db2.gz YBKOLEKASABWJB-UHFFFAOYSA-N 1 2 263.341 0.832 20 30 CCEDLO C=CCSCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288307166 388860996 /nfs/dbraw/zinc/86/09/96/388860996.db2.gz LVFARRNOWBPGGS-JTQLQIEISA-N 1 2 280.353 0.792 20 30 CCEDLO C=CCSCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288307166 388861000 /nfs/dbraw/zinc/86/10/00/388861000.db2.gz LVFARRNOWBPGGS-JTQLQIEISA-N 1 2 280.353 0.792 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000290604135 388908112 /nfs/dbraw/zinc/90/81/12/388908112.db2.gz NJHHDIIFGRJLLB-AWEZNQCLSA-N 1 2 290.363 0.796 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000291279167 388919850 /nfs/dbraw/zinc/91/98/50/388919850.db2.gz QFGNELHDEVABDP-AWEZNQCLSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000291279167 388919853 /nfs/dbraw/zinc/91/98/53/388919853.db2.gz QFGNELHDEVABDP-AWEZNQCLSA-N 1 2 282.384 0.924 20 30 CCEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCS(=O)CC2)cc1 ZINC000049691698 388922161 /nfs/dbraw/zinc/92/21/61/388922161.db2.gz ILGJVINOTNSBLW-UHFFFAOYSA-N 1 2 291.376 0.951 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292411833 388949964 /nfs/dbraw/zinc/94/99/64/388949964.db2.gz ZNVVUGZXJAYYFF-QWRGUYRKSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292411833 388949968 /nfs/dbraw/zinc/94/99/68/388949968.db2.gz ZNVVUGZXJAYYFF-QWRGUYRKSA-N 1 2 274.386 0.044 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292568118 388951457 /nfs/dbraw/zinc/95/14/57/388951457.db2.gz UTDZYKNXXLHTLM-LLVKDONJSA-N 1 2 274.324 0.723 20 30 CCEDLO N#CCCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014509 388956558 /nfs/dbraw/zinc/95/65/58/388956558.db2.gz JURXQKVKROJBHO-OLZOCXBDSA-N 1 2 286.397 0.958 20 30 CCEDLO N#CCCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014509 388956561 /nfs/dbraw/zinc/95/65/61/388956561.db2.gz JURXQKVKROJBHO-OLZOCXBDSA-N 1 2 286.397 0.958 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000293201074 388980583 /nfs/dbraw/zinc/98/05/83/388980583.db2.gz UQANHGFKTBQJRX-GHMZBOCLSA-N 1 2 264.329 0.397 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000293201074 388980591 /nfs/dbraw/zinc/98/05/91/388980591.db2.gz UQANHGFKTBQJRX-GHMZBOCLSA-N 1 2 264.329 0.397 20 30 CCEDLO C=CCOCC[N@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000292937804 388970619 /nfs/dbraw/zinc/97/06/19/388970619.db2.gz ZRTKYOGOAXIENJ-GFCCVEGCSA-N 1 2 259.371 0.864 20 30 CCEDLO C=CCOCC[N@@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000292937804 388970622 /nfs/dbraw/zinc/97/06/22/388970622.db2.gz ZRTKYOGOAXIENJ-GFCCVEGCSA-N 1 2 259.371 0.864 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000192238937 389029138 /nfs/dbraw/zinc/02/91/38/389029138.db2.gz FXNNEPVCUMDWHH-UHFFFAOYSA-N 1 2 275.308 0.908 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000192238937 389029141 /nfs/dbraw/zinc/02/91/41/389029141.db2.gz FXNNEPVCUMDWHH-UHFFFAOYSA-N 1 2 275.308 0.908 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000191148850 389007196 /nfs/dbraw/zinc/00/71/96/389007196.db2.gz GOTAQGJKDJYLHN-UHFFFAOYSA-N 1 2 262.313 0.657 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000191148850 389007197 /nfs/dbraw/zinc/00/71/97/389007197.db2.gz GOTAQGJKDJYLHN-UHFFFAOYSA-N 1 2 262.313 0.657 20 30 CCEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](CO)O1 ZINC000191519491 389012631 /nfs/dbraw/zinc/01/26/31/389012631.db2.gz AAZJHVIWQDGCLF-SMDDNHRTSA-N 1 2 286.335 0.788 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000354323268 389020385 /nfs/dbraw/zinc/02/03/85/389020385.db2.gz BSNQWYBAWRZENQ-UHFFFAOYSA-N 1 2 275.352 0.928 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337674229 389065523 /nfs/dbraw/zinc/06/55/23/389065523.db2.gz XHHFGHSMHKCGBQ-CYBMUJFWSA-N 1 2 261.325 0.757 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000308312222 389093241 /nfs/dbraw/zinc/09/32/41/389093241.db2.gz SDCHACJFUOSLQH-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000308312222 389093243 /nfs/dbraw/zinc/09/32/43/389093243.db2.gz SDCHACJFUOSLQH-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121312685 389147149 /nfs/dbraw/zinc/14/71/49/389147149.db2.gz RKQAVSHHTNZQAK-SNVBAGLBSA-N 1 2 257.334 0.471 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NCCc1cccs1 ZINC000121422512 389148065 /nfs/dbraw/zinc/14/80/65/389148065.db2.gz OYXKPSGZCMGHJY-SECBINFHSA-N 1 2 285.369 0.467 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338591392 389113387 /nfs/dbraw/zinc/11/33/87/389113387.db2.gz VAMHZYNDQIODAE-CYBMUJFWSA-N 1 2 258.337 0.817 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338591392 389113390 /nfs/dbraw/zinc/11/33/90/389113390.db2.gz VAMHZYNDQIODAE-CYBMUJFWSA-N 1 2 258.337 0.817 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000313468426 389114017 /nfs/dbraw/zinc/11/40/17/389114017.db2.gz DFVCODZDFCGMEQ-UHFFFAOYSA-N 1 2 296.377 0.874 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000339078011 389123935 /nfs/dbraw/zinc/12/39/35/389123935.db2.gz CNGHFKAEMNYZGA-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000339078011 389123938 /nfs/dbraw/zinc/12/39/38/389123938.db2.gz CNGHFKAEMNYZGA-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)[N@H+]1C ZINC000339071251 389124022 /nfs/dbraw/zinc/12/40/22/389124022.db2.gz CAVHLMUHHNSFFR-PHIMTYICSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)[N@@H+]1C ZINC000339071251 389124026 /nfs/dbraw/zinc/12/40/26/389124026.db2.gz CAVHLMUHHNSFFR-PHIMTYICSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339073859 389124331 /nfs/dbraw/zinc/12/43/31/389124331.db2.gz NKDYRMNCRLRRRC-SDDRHHMPSA-N 1 2 288.417 0.347 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339073859 389124333 /nfs/dbraw/zinc/12/43/33/389124333.db2.gz NKDYRMNCRLRRRC-SDDRHHMPSA-N 1 2 288.417 0.347 20 30 CCEDLO C#CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000328137563 389127417 /nfs/dbraw/zinc/12/74/17/389127417.db2.gz YUXUREFDFASNJQ-UHFFFAOYSA-N 1 2 297.336 0.438 20 30 CCEDLO C#CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000328137563 389127420 /nfs/dbraw/zinc/12/74/20/389127420.db2.gz YUXUREFDFASNJQ-UHFFFAOYSA-N 1 2 297.336 0.438 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339213792 389128011 /nfs/dbraw/zinc/12/80/11/389128011.db2.gz DHSKMYAECYSORA-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO COCCn1nnc2c1CC[N@H+](CCOCCC#N)C2 ZINC000339300975 389129814 /nfs/dbraw/zinc/12/98/14/389129814.db2.gz BJTLKFQYRXSBHG-UHFFFAOYSA-N 1 2 279.344 0.213 20 30 CCEDLO COCCn1nnc2c1CC[N@@H+](CCOCCC#N)C2 ZINC000339300975 389129815 /nfs/dbraw/zinc/12/98/15/389129815.db2.gz BJTLKFQYRXSBHG-UHFFFAOYSA-N 1 2 279.344 0.213 20 30 CCEDLO C[C@H](C(=O)NCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777403 389136248 /nfs/dbraw/zinc/13/62/48/389136248.db2.gz MZUSAGOSVYPFPI-GFCCVEGCSA-N 1 2 290.342 0.976 20 30 CCEDLO COCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000339701918 389137575 /nfs/dbraw/zinc/13/75/75/389137575.db2.gz PJMAFOCRHKHVIM-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@H](CCCC)C2=O)CC1 ZINC000129149886 389183132 /nfs/dbraw/zinc/18/31/32/389183132.db2.gz RNSORELREHLVFR-CYBMUJFWSA-N 1 2 292.383 0.305 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@H](C)C#N ZINC000358979881 389164063 /nfs/dbraw/zinc/16/40/63/389164063.db2.gz PLSSBLHTIIALIY-CHWSQXEVSA-N 1 2 281.404 0.423 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329457974 389164847 /nfs/dbraw/zinc/16/48/47/389164847.db2.gz QWQPWELJYODBSJ-RYUDHWBXSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329457974 389164849 /nfs/dbraw/zinc/16/48/49/389164849.db2.gz QWQPWELJYODBSJ-RYUDHWBXSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329457973 389165206 /nfs/dbraw/zinc/16/52/06/389165206.db2.gz QWQPWELJYODBSJ-NWDGAFQWSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329457973 389165209 /nfs/dbraw/zinc/16/52/09/389165209.db2.gz QWQPWELJYODBSJ-NWDGAFQWSA-N 1 2 292.339 0.651 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1ccc(C)o1 ZINC000125567969 389166457 /nfs/dbraw/zinc/16/64/57/389166457.db2.gz VQRUTEGGADBZEI-UHFFFAOYSA-N 1 2 265.313 0.676 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1ccc(C)o1 ZINC000125567969 389166461 /nfs/dbraw/zinc/16/64/61/389166461.db2.gz VQRUTEGGADBZEI-UHFFFAOYSA-N 1 2 265.313 0.676 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000359087030 389166656 /nfs/dbraw/zinc/16/66/56/389166656.db2.gz ILSGYJPNMYAEIU-KBPBESRZSA-N 1 2 283.416 0.720 20 30 CCEDLO COCCC1(C)CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329556115 389171293 /nfs/dbraw/zinc/17/12/93/389171293.db2.gz BQNBXVFHXRPNII-GFCCVEGCSA-N 1 2 285.388 0.589 20 30 CCEDLO COCCC1(C)CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329556115 389171296 /nfs/dbraw/zinc/17/12/96/389171296.db2.gz BQNBXVFHXRPNII-GFCCVEGCSA-N 1 2 285.388 0.589 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000329580588 389171768 /nfs/dbraw/zinc/17/17/68/389171768.db2.gz PUEWDNAVWHDXBP-YNEHKIRRSA-N 1 2 285.388 0.372 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000329580588 389171771 /nfs/dbraw/zinc/17/17/71/389171771.db2.gz PUEWDNAVWHDXBP-YNEHKIRRSA-N 1 2 285.388 0.372 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1CO ZINC000329621734 389177760 /nfs/dbraw/zinc/17/77/60/389177760.db2.gz NBQRRAMMTVFENR-VHSXEESVSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1CO ZINC000329621734 389177764 /nfs/dbraw/zinc/17/77/64/389177764.db2.gz NBQRRAMMTVFENR-VHSXEESVSA-N 1 2 264.329 0.638 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(O)cc3)C[C@@H]21 ZINC000329624824 389178688 /nfs/dbraw/zinc/17/86/88/389178688.db2.gz SOAGKCWTHHVLTH-UONOGXRCSA-N 1 2 291.351 0.821 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(O)cc3)C[C@@H]21 ZINC000329624824 389178692 /nfs/dbraw/zinc/17/86/92/389178692.db2.gz SOAGKCWTHHVLTH-UONOGXRCSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000134038508 389241337 /nfs/dbraw/zinc/24/13/37/389241337.db2.gz GHYBKCRGQVKYES-CYBMUJFWSA-N 1 2 278.356 0.396 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000134038508 389241339 /nfs/dbraw/zinc/24/13/39/389241339.db2.gz GHYBKCRGQVKYES-CYBMUJFWSA-N 1 2 278.356 0.396 20 30 CCEDLO C[C@@H](CO)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330574127 389242735 /nfs/dbraw/zinc/24/27/35/389242735.db2.gz LBHCJQHLKQTICB-NSHDSACASA-N 1 2 273.377 0.324 20 30 CCEDLO C[C@@H](CO)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330574127 389242737 /nfs/dbraw/zinc/24/27/37/389242737.db2.gz LBHCJQHLKQTICB-NSHDSACASA-N 1 2 273.377 0.324 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248639439 389247851 /nfs/dbraw/zinc/24/78/51/389247851.db2.gz WUCVHBKDLHIWGS-QWHCGFSZSA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248639439 389247855 /nfs/dbraw/zinc/24/78/55/389247855.db2.gz WUCVHBKDLHIWGS-QWHCGFSZSA-N 1 2 283.372 0.220 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000135020440 389252290 /nfs/dbraw/zinc/25/22/90/389252290.db2.gz RRBSAXXEXPRFSE-CQSZACIVSA-N 1 2 297.399 0.695 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363774266 389253583 /nfs/dbraw/zinc/25/35/83/389253583.db2.gz NMLNOJNNFPEVHB-CQSZACIVSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363774266 389253585 /nfs/dbraw/zinc/25/35/85/389253585.db2.gz NMLNOJNNFPEVHB-CQSZACIVSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000343146519 389259600 /nfs/dbraw/zinc/25/96/00/389259600.db2.gz FSIFAIHEXWCSMB-UHFFFAOYSA-N 1 2 299.334 0.761 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000343169024 389260497 /nfs/dbraw/zinc/26/04/97/389260497.db2.gz FHFGUTMTBMKQOX-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000343169024 389260499 /nfs/dbraw/zinc/26/04/99/389260499.db2.gz FHFGUTMTBMKQOX-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO CN1CC[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1=O ZINC000329894260 389209628 /nfs/dbraw/zinc/20/96/28/389209628.db2.gz BDKFPMQVIFRFDS-QWRGUYRKSA-N 1 2 291.355 0.495 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000329905019 389210811 /nfs/dbraw/zinc/21/08/11/389210811.db2.gz JLXVCTATPIBKQZ-VIFPVBQESA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000329905019 389210814 /nfs/dbraw/zinc/21/08/14/389210814.db2.gz JLXVCTATPIBKQZ-VIFPVBQESA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329905019 389210815 /nfs/dbraw/zinc/21/08/15/389210815.db2.gz JLXVCTATPIBKQZ-VIFPVBQESA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329905019 389210818 /nfs/dbraw/zinc/21/08/18/389210818.db2.gz JLXVCTATPIBKQZ-VIFPVBQESA-N 1 2 265.317 0.471 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329924296 389211684 /nfs/dbraw/zinc/21/16/84/389211684.db2.gz IZISKLDKWGEVNS-JLLWLGSASA-N 1 2 296.371 0.423 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329924296 389211686 /nfs/dbraw/zinc/21/16/86/389211686.db2.gz IZISKLDKWGEVNS-JLLWLGSASA-N 1 2 296.371 0.423 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246101269 389223914 /nfs/dbraw/zinc/22/39/14/389223914.db2.gz MHCFZBULTXYWRD-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246101269 389223916 /nfs/dbraw/zinc/22/39/16/389223916.db2.gz MHCFZBULTXYWRD-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246101248 389223950 /nfs/dbraw/zinc/22/39/50/389223950.db2.gz MHCFZBULTXYWRD-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246101248 389223953 /nfs/dbraw/zinc/22/39/53/389223953.db2.gz MHCFZBULTXYWRD-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330442674 389230344 /nfs/dbraw/zinc/23/03/44/389230344.db2.gz FMHSOLTYJRHKCC-UHFFFAOYSA-N 1 2 297.384 0.399 20 30 CCEDLO O=C(NCCCn1cc[nH+]c1)N1CCC(CO)CC1 ZINC000330455094 389231606 /nfs/dbraw/zinc/23/16/06/389231606.db2.gz MRAKKMIQSCNYHU-UHFFFAOYSA-N 1 2 266.345 0.892 20 30 CCEDLO [O-]C(=[NH+]CCCn1cc[nH+]c1)N1CCC(CO)CC1 ZINC000330455094 389231607 /nfs/dbraw/zinc/23/16/07/389231607.db2.gz MRAKKMIQSCNYHU-UHFFFAOYSA-N 1 2 266.345 0.892 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342638741 389233190 /nfs/dbraw/zinc/23/31/90/389233190.db2.gz NHZIISRIWSQXOJ-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342638741 389233192 /nfs/dbraw/zinc/23/31/92/389233192.db2.gz NHZIISRIWSQXOJ-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247091421 389235902 /nfs/dbraw/zinc/23/59/02/389235902.db2.gz JMKPKZKQPRNBHY-XQQFMLRXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247091421 389235903 /nfs/dbraw/zinc/23/59/03/389235903.db2.gz JMKPKZKQPRNBHY-XQQFMLRXSA-N 1 2 266.341 0.004 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000331697206 389311174 /nfs/dbraw/zinc/31/11/74/389311174.db2.gz VAROXYIIUJWRIJ-SGMGOOAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000331697206 389311176 /nfs/dbraw/zinc/31/11/76/389311176.db2.gz VAROXYIIUJWRIJ-SGMGOOAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000331697204 389311235 /nfs/dbraw/zinc/31/12/35/389311235.db2.gz VAROXYIIUJWRIJ-OUCADQQQSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000331697204 389311237 /nfs/dbraw/zinc/31/12/37/389311237.db2.gz VAROXYIIUJWRIJ-OUCADQQQSA-N 1 2 268.357 0.557 20 30 CCEDLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000154346324 389311938 /nfs/dbraw/zinc/31/19/38/389311938.db2.gz QYQHMQPMLCQWRQ-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000154346324 389311942 /nfs/dbraw/zinc/31/19/42/389311942.db2.gz QYQHMQPMLCQWRQ-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000155755269 389321455 /nfs/dbraw/zinc/32/14/55/389321455.db2.gz RUBFLMDEQBAYGT-QWRGUYRKSA-N 1 2 270.358 0.053 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000155755269 389321457 /nfs/dbraw/zinc/32/14/57/389321457.db2.gz RUBFLMDEQBAYGT-QWRGUYRKSA-N 1 2 270.358 0.053 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000332034380 389321531 /nfs/dbraw/zinc/32/15/31/389321531.db2.gz SNUTUJICAIDFGE-AVCJSFLBSA-N 1 2 285.413 0.590 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000332034380 389321532 /nfs/dbraw/zinc/32/15/32/389321532.db2.gz SNUTUJICAIDFGE-AVCJSFLBSA-N 1 2 285.413 0.590 20 30 CCEDLO CCOCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346523130 389330451 /nfs/dbraw/zinc/33/04/51/389330451.db2.gz BQBDUDGEIDZHGO-UHFFFAOYSA-N 1 2 297.399 0.878 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC#N ZINC000343648740 389268727 /nfs/dbraw/zinc/26/87/27/389268727.db2.gz HDRNZHCDKAVEHL-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330991160 389274997 /nfs/dbraw/zinc/27/49/97/389274997.db2.gz YLPPPKPBUVAFSR-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330992512 389275317 /nfs/dbraw/zinc/27/53/17/389275317.db2.gz SWTWMDXARAUNOF-UTUOFQBUSA-N 1 2 296.371 0.619 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330992512 389275319 /nfs/dbraw/zinc/27/53/19/389275319.db2.gz SWTWMDXARAUNOF-UTUOFQBUSA-N 1 2 296.371 0.619 20 30 CCEDLO N#CCCCCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000332673234 389356192 /nfs/dbraw/zinc/35/61/92/389356192.db2.gz CJBUAELVUXBHKI-UHFFFAOYSA-N 1 2 294.336 0.864 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348106153 389365063 /nfs/dbraw/zinc/36/50/63/389365063.db2.gz FNMPCAAOKFHADD-SECBINFHSA-N 1 2 265.317 0.791 20 30 CCEDLO NS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373259842 389468186 /nfs/dbraw/zinc/46/81/86/389468186.db2.gz NGIAQWRJHSKMFY-AWEZNQCLSA-N 1 2 296.367 0.930 20 30 CCEDLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373259842 389468189 /nfs/dbraw/zinc/46/81/89/389468189.db2.gz NGIAQWRJHSKMFY-AWEZNQCLSA-N 1 2 296.367 0.930 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nccc(N)n1 ZINC000269699918 389425362 /nfs/dbraw/zinc/42/53/62/389425362.db2.gz LUXDVZRMIDMDNM-UHFFFAOYSA-N 1 2 290.371 0.107 20 30 CCEDLO CCC[N@H+](CC(=O)NCC#N)[C@@H](C)C(=O)OCC ZINC000411639431 389440978 /nfs/dbraw/zinc/44/09/78/389440978.db2.gz AMPGLNGTATXQGZ-JTQLQIEISA-N 1 2 255.318 0.290 20 30 CCEDLO CCC[N@@H+](CC(=O)NCC#N)[C@@H](C)C(=O)OCC ZINC000411639431 389440979 /nfs/dbraw/zinc/44/09/79/389440979.db2.gz AMPGLNGTATXQGZ-JTQLQIEISA-N 1 2 255.318 0.290 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373793526 389516349 /nfs/dbraw/zinc/51/63/49/389516349.db2.gz UNRXKGFBEVQGAK-MBNYWOFBSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373793526 389516354 /nfs/dbraw/zinc/51/63/54/389516354.db2.gz UNRXKGFBEVQGAK-MBNYWOFBSA-N 1 2 266.341 0.004 20 30 CCEDLO CC#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496836460 262357237 /nfs/dbraw/zinc/35/72/37/262357237.db2.gz QCFFDYBEXABVRY-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)NCC)CC2)C1=O ZINC000281138638 389608971 /nfs/dbraw/zinc/60/89/71/389608971.db2.gz AJCDGSCZHHCYDS-LBPRGKRZSA-N 1 2 280.372 0.120 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000335832910 389611794 /nfs/dbraw/zinc/61/17/94/389611794.db2.gz HUYIPWLNXGQMHK-ZIAGYGMSSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000335832910 389611798 /nfs/dbraw/zinc/61/17/98/389611798.db2.gz HUYIPWLNXGQMHK-ZIAGYGMSSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCCn1cc(C(=O)NCc2c[nH+]cn2C)nn1 ZINC000424835779 389634015 /nfs/dbraw/zinc/63/40/15/389634015.db2.gz WIHCFZCYCQZHRR-UHFFFAOYSA-N 1 2 260.301 0.518 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nncn2C)C1=O ZINC000281964118 389640940 /nfs/dbraw/zinc/64/09/40/389640940.db2.gz KQTURGXPJMRZPD-NWDGAFQWSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nncn2C)C1=O ZINC000281964118 389640941 /nfs/dbraw/zinc/64/09/41/389640941.db2.gz KQTURGXPJMRZPD-NWDGAFQWSA-N 1 2 275.356 0.739 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177239946 389575956 /nfs/dbraw/zinc/57/59/56/389575956.db2.gz UGFMBPHXOMOKMP-UHFFFAOYSA-N 1 2 261.329 0.671 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177239946 389575960 /nfs/dbraw/zinc/57/59/60/389575960.db2.gz UGFMBPHXOMOKMP-UHFFFAOYSA-N 1 2 261.329 0.671 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000279500984 389582370 /nfs/dbraw/zinc/58/23/70/389582370.db2.gz QJXZRTWBEIQDAV-OAHLLOKOSA-N 1 2 290.367 0.761 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)C)n1 ZINC000279775439 389595661 /nfs/dbraw/zinc/59/56/61/389595661.db2.gz TWOYBOULJDKPBD-GFCCVEGCSA-N 1 2 262.357 0.815 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)C)n1 ZINC000279775439 389595664 /nfs/dbraw/zinc/59/56/64/389595664.db2.gz TWOYBOULJDKPBD-GFCCVEGCSA-N 1 2 262.357 0.815 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371294 389799721 /nfs/dbraw/zinc/79/97/21/389799721.db2.gz IDOIPLYWKSWAFG-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371294 389799724 /nfs/dbraw/zinc/79/97/24/389799724.db2.gz IDOIPLYWKSWAFG-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430673509 389817335 /nfs/dbraw/zinc/81/73/35/389817335.db2.gz DEVDBEOHNIUZHD-GFCCVEGCSA-N 1 2 279.388 0.225 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430673509 389817336 /nfs/dbraw/zinc/81/73/36/389817336.db2.gz DEVDBEOHNIUZHD-GFCCVEGCSA-N 1 2 279.388 0.225 20 30 CCEDLO CCN1CCN(C(=O)[C@@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433471563 389915759 /nfs/dbraw/zinc/91/57/59/389915759.db2.gz OXZOPPNLOCOZMZ-WDEREUQCSA-N 1 2 261.329 0.775 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445846046 389926528 /nfs/dbraw/zinc/92/65/28/389926528.db2.gz CUWZRACNCLGKRG-SECBINFHSA-N 1 2 294.380 0.902 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445846046 389926530 /nfs/dbraw/zinc/92/65/30/389926530.db2.gz CUWZRACNCLGKRG-SECBINFHSA-N 1 2 294.380 0.902 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446068023 389930133 /nfs/dbraw/zinc/93/01/33/389930133.db2.gz BVDSPBDUVYRDAY-AXFHLTTASA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446068023 389930134 /nfs/dbraw/zinc/93/01/34/389930134.db2.gz BVDSPBDUVYRDAY-AXFHLTTASA-N 1 2 269.345 0.496 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939807 390038550 /nfs/dbraw/zinc/03/85/50/390038550.db2.gz NPGHEJRNMVQSHM-NEPJUHHUSA-N 1 2 295.383 0.409 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939807 390038553 /nfs/dbraw/zinc/03/85/53/390038553.db2.gz NPGHEJRNMVQSHM-NEPJUHHUSA-N 1 2 295.383 0.409 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000420943565 390039144 /nfs/dbraw/zinc/03/91/44/390039144.db2.gz RIOPVSIKSLKVQB-NEPJUHHUSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000420943565 390039146 /nfs/dbraw/zinc/03/91/46/390039146.db2.gz RIOPVSIKSLKVQB-NEPJUHHUSA-N 1 2 268.357 0.245 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1sccc1C#N ZINC000457140845 390032648 /nfs/dbraw/zinc/03/26/48/390032648.db2.gz XTJHIOAKTXUDBE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1sccc1C#N ZINC000457140845 390032649 /nfs/dbraw/zinc/03/26/49/390032649.db2.gz XTJHIOAKTXUDBE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1sccc1C#N ZINC000457140846 390032908 /nfs/dbraw/zinc/03/29/08/390032908.db2.gz XTJHIOAKTXUDBE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1sccc1C#N ZINC000457140846 390032912 /nfs/dbraw/zinc/03/29/12/390032912.db2.gz XTJHIOAKTXUDBE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000469368227 390077118 /nfs/dbraw/zinc/07/71/18/390077118.db2.gz WMVJJZLTLYKFFU-RRFJBIMHSA-N 1 2 295.427 0.720 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491381894 390112718 /nfs/dbraw/zinc/11/27/18/390112718.db2.gz GVELVXBNQWQUQR-GFCCVEGCSA-N 1 2 287.319 0.498 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000491394513 390112871 /nfs/dbraw/zinc/11/28/71/390112871.db2.gz MUMANJAHFKBJAJ-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000491394513 390112872 /nfs/dbraw/zinc/11/28/72/390112872.db2.gz MUMANJAHFKBJAJ-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000644681138 390284751 /nfs/dbraw/zinc/28/47/51/390284751.db2.gz AQTUOCNAKOFREW-AAEUAGOBSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000644681138 390284757 /nfs/dbraw/zinc/28/47/57/390284757.db2.gz AQTUOCNAKOFREW-AAEUAGOBSA-N 1 2 293.371 0.303 20 30 CCEDLO CC(C)N(C(=O)C[NH+]1CCN(C(=O)CC#N)CC1)C(C)C ZINC000583330270 390285153 /nfs/dbraw/zinc/28/51/53/390285153.db2.gz SKHXTIFVVDZPAT-UHFFFAOYSA-N 1 2 294.399 0.690 20 30 CCEDLO CN1CC2(CN(Cc3c[nH+]c4ccc(C#N)cn34)C2)OC1=O ZINC000496100800 390300426 /nfs/dbraw/zinc/30/04/26/390300426.db2.gz ICJZTWOFCZAHQL-UHFFFAOYSA-N 1 2 297.318 0.842 20 30 CCEDLO C=CCC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OCC ZINC000562950867 390491305 /nfs/dbraw/zinc/49/13/05/390491305.db2.gz IFRAOSHPGSNQEH-GFCCVEGCSA-N 1 2 279.340 0.977 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000649188545 390516388 /nfs/dbraw/zinc/51/63/88/390516388.db2.gz MPUWXYFJCNHOFZ-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000520806319 390589376 /nfs/dbraw/zinc/58/93/76/390589376.db2.gz OSGWHYILYWXFNR-UPJWGTAASA-N 1 2 275.308 0.088 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000646583916 390697793 /nfs/dbraw/zinc/69/77/93/390697793.db2.gz AWIQSEKAHSWTHW-HNNXBMFYSA-N 1 2 290.363 0.757 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(C(=O)C3CC3)C2)CC1 ZINC000528524480 390754142 /nfs/dbraw/zinc/75/41/42/390754142.db2.gz COUGBELYVRNPOA-GFCCVEGCSA-N 1 2 263.341 0.553 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(C(=O)C3CC3)C2)CC1 ZINC000528524480 390754144 /nfs/dbraw/zinc/75/41/44/390754144.db2.gz COUGBELYVRNPOA-GFCCVEGCSA-N 1 2 263.341 0.553 20 30 CCEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000528615046 390761821 /nfs/dbraw/zinc/76/18/21/390761821.db2.gz ROKUINWAZBFKHB-NEPJUHHUSA-N 1 2 283.397 0.788 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC000528781498 390777442 /nfs/dbraw/zinc/77/74/42/390777442.db2.gz NOLBVWYEXDUMDP-AGIUHOORSA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC000528781498 390777443 /nfs/dbraw/zinc/77/74/43/390777443.db2.gz NOLBVWYEXDUMDP-AGIUHOORSA-N 1 2 298.408 0.425 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531391530 390878288 /nfs/dbraw/zinc/87/82/88/390878288.db2.gz ACCXOUJLJPOXJA-OAHLLOKOSA-N 1 2 286.379 0.463 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531391530 390878292 /nfs/dbraw/zinc/87/82/92/390878292.db2.gz ACCXOUJLJPOXJA-OAHLLOKOSA-N 1 2 286.379 0.463 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000532204216 390878712 /nfs/dbraw/zinc/87/87/12/390878712.db2.gz RPUREZTXKJFUTG-LBPRGKRZSA-N 1 2 290.367 0.268 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000532204216 390878713 /nfs/dbraw/zinc/87/87/13/390878713.db2.gz RPUREZTXKJFUTG-LBPRGKRZSA-N 1 2 290.367 0.268 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000342226332 130397840 /nfs/dbraw/zinc/39/78/40/130397840.db2.gz OGDHHYVURZGJKD-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000247929870 131108187 /nfs/dbraw/zinc/10/81/87/131108187.db2.gz QGBWSRJSNZVZSE-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCN4CCOC[C@@H]4C3)n2c1 ZINC000371888416 144346544 /nfs/dbraw/zinc/34/65/44/144346544.db2.gz ORQVHLLUEFNWKK-HNNXBMFYSA-N 1 2 297.362 0.722 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCN4CCOC[C@@H]4C3)n2c1 ZINC000371888416 144346546 /nfs/dbraw/zinc/34/65/46/144346546.db2.gz ORQVHLLUEFNWKK-HNNXBMFYSA-N 1 2 297.362 0.722 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491627048 397560293 /nfs/dbraw/zinc/56/02/93/397560293.db2.gz JOJQMOWSOORFDJ-VIFPVBQESA-N 1 2 261.281 0.509 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)s1 ZINC000571937305 397580085 /nfs/dbraw/zinc/58/00/85/397580085.db2.gz ROLZHRARXXAVHR-JTQLQIEISA-N 1 2 253.327 0.552 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000571937305 397580087 /nfs/dbraw/zinc/58/00/87/397580087.db2.gz ROLZHRARXXAVHR-JTQLQIEISA-N 1 2 253.327 0.552 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CCOC)CC2(C)C)C1=O ZINC000649851062 397674973 /nfs/dbraw/zinc/67/49/73/397674973.db2.gz KDSPDYASOOGZGN-AWEZNQCLSA-N 1 2 295.427 0.816 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CCOC)CC2(C)C)C1=O ZINC000649851062 397674975 /nfs/dbraw/zinc/67/49/75/397674975.db2.gz KDSPDYASOOGZGN-AWEZNQCLSA-N 1 2 295.427 0.816 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000552006268 286146164 /nfs/dbraw/zinc/14/61/64/286146164.db2.gz VLRWGEASWASSQJ-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000552006268 286146167 /nfs/dbraw/zinc/14/61/67/286146167.db2.gz VLRWGEASWASSQJ-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575127505 335069944 /nfs/dbraw/zinc/06/99/44/335069944.db2.gz KGARJGIDVLOBCA-XHDPSFHLSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(O)(COC)CC2)nn1 ZINC000653592600 412322983 /nfs/dbraw/zinc/32/29/83/412322983.db2.gz HOENLFMQWHJEKG-UHFFFAOYSA-N 1 2 280.372 0.828 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)nn1 ZINC000653657065 412330941 /nfs/dbraw/zinc/33/09/41/412330941.db2.gz GOOANQKUWVQNEA-CHWSQXEVSA-N 1 2 275.356 0.565 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)nn1 ZINC000653657065 412330945 /nfs/dbraw/zinc/33/09/45/412330945.db2.gz GOOANQKUWVQNEA-CHWSQXEVSA-N 1 2 275.356 0.565 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850435 414508601 /nfs/dbraw/zinc/50/86/01/414508601.db2.gz MTEQJXKGTCTCLQ-JTQLQIEISA-N 1 2 280.328 0.796 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850435 414508603 /nfs/dbraw/zinc/50/86/03/414508603.db2.gz MTEQJXKGTCTCLQ-JTQLQIEISA-N 1 2 280.328 0.796 20 30 CCEDLO C=CC[N@H+](Cc1nc(N)nc(N(C)C)n1)[C@@H](C)COC ZINC000661241884 414583820 /nfs/dbraw/zinc/58/38/20/414583820.db2.gz DEZUKWZMOLNBOR-JTQLQIEISA-N 1 2 280.376 0.543 20 30 CCEDLO C=CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)[C@@H](C)COC ZINC000661241884 414583822 /nfs/dbraw/zinc/58/38/22/414583822.db2.gz DEZUKWZMOLNBOR-JTQLQIEISA-N 1 2 280.376 0.543 20 30 CCEDLO C=CC[N@H+](CC(=O)Nc1cnccn1)[C@H](C)COC ZINC000661241042 414584151 /nfs/dbraw/zinc/58/41/51/414584151.db2.gz VZUJDGGDDRRAMM-LLVKDONJSA-N 1 2 264.329 0.938 20 30 CCEDLO C=CC[N@@H+](CC(=O)Nc1cnccn1)[C@H](C)COC ZINC000661241042 414584154 /nfs/dbraw/zinc/58/41/54/414584154.db2.gz VZUJDGGDDRRAMM-LLVKDONJSA-N 1 2 264.329 0.938 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664704453 415450359 /nfs/dbraw/zinc/45/03/59/415450359.db2.gz VIZSWDZGWBVJHB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664704453 415450367 /nfs/dbraw/zinc/45/03/67/415450367.db2.gz VIZSWDZGWBVJHB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665029285 415510614 /nfs/dbraw/zinc/51/06/14/415510614.db2.gz RZLWHHOTYHFBTK-FQUUOJAGSA-N 1 2 297.399 0.738 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665029285 415510623 /nfs/dbraw/zinc/51/06/23/415510623.db2.gz RZLWHHOTYHFBTK-FQUUOJAGSA-N 1 2 297.399 0.738 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ncccc2C#N)CC1 ZINC000071953883 176304551 /nfs/dbraw/zinc/30/45/51/176304551.db2.gz VYOQXAPVSGWRCR-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO Cc1nnc(CCNC(=O)[C@H](C)[NH+]2CCOCC2)[nH]1 ZINC000329075130 227282943 /nfs/dbraw/zinc/28/29/43/227282943.db2.gz AHHOKGFLTYPVBC-VIFPVBQESA-N 1 2 267.333 0.333 20 30 CCEDLO [O-]C(=[NH+]C[C@@H]1COCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329165789 227335481 /nfs/dbraw/zinc/33/54/81/227335481.db2.gz HKXIZVZONWHLNX-CYBMUJFWSA-N 1 2 294.355 0.849 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329165789 227335489 /nfs/dbraw/zinc/33/54/89/227335489.db2.gz HKXIZVZONWHLNX-CYBMUJFWSA-N 1 2 294.355 0.849 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000330101294 228039631 /nfs/dbraw/zinc/03/96/31/228039631.db2.gz FJPLVTOZQKNZIJ-JTQLQIEISA-N 1 2 265.317 0.442 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000330101294 228039633 /nfs/dbraw/zinc/03/96/33/228039633.db2.gz FJPLVTOZQKNZIJ-JTQLQIEISA-N 1 2 265.317 0.442 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329735999 545025284 /nfs/dbraw/zinc/02/52/84/545025284.db2.gz SHHACIOOKFMOQH-GARJFASQSA-N 1 2 292.339 0.281 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329735999 545025285 /nfs/dbraw/zinc/02/52/85/545025285.db2.gz SHHACIOOKFMOQH-GARJFASQSA-N 1 2 292.339 0.281 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000354280138 260115260 /nfs/dbraw/zinc/11/52/60/260115260.db2.gz DUUSJRSLGJRDBY-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CCN1c1nccn2cnnc12 ZINC000408109940 260236217 /nfs/dbraw/zinc/23/62/17/260236217.db2.gz ITOUNUMOBOKGRD-GFCCVEGCSA-N 1 2 297.366 0.939 20 30 CCEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CCN1c1nccn2cnnc12 ZINC000408109940 260236218 /nfs/dbraw/zinc/23/62/18/260236218.db2.gz ITOUNUMOBOKGRD-GFCCVEGCSA-N 1 2 297.366 0.939 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCCCO1 ZINC000517804313 260307968 /nfs/dbraw/zinc/30/79/68/260307968.db2.gz SHCDPXCBDUZTOS-AAEUAGOBSA-N 1 2 253.346 0.906 20 30 CCEDLO COC(=O)CNC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000081517440 260333821 /nfs/dbraw/zinc/33/38/21/260333821.db2.gz IENFSXAWSJETMH-UHFFFAOYSA-N 1 2 293.323 0.675 20 30 CCEDLO COC(=O)CNC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517440 260333823 /nfs/dbraw/zinc/33/38/23/260333823.db2.gz IENFSXAWSJETMH-UHFFFAOYSA-N 1 2 293.323 0.675 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCSCC1 ZINC000151771593 260610930 /nfs/dbraw/zinc/61/09/30/260610930.db2.gz XUTSWUDWFLKOTO-JTQLQIEISA-N 1 2 253.371 0.986 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248991430 261231466 /nfs/dbraw/zinc/23/14/66/261231466.db2.gz FWHQJAHJXIVMFA-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000248991430 261231468 /nfs/dbraw/zinc/23/14/68/261231468.db2.gz FWHQJAHJXIVMFA-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000249017221 261234771 /nfs/dbraw/zinc/23/47/71/261234771.db2.gz PWGHNMNJOHHNDQ-CABCVRRESA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000249017221 261234773 /nfs/dbraw/zinc/23/47/73/261234773.db2.gz PWGHNMNJOHHNDQ-CABCVRRESA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@H](NC(=O)C1(C#N)CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000109143399 261391126 /nfs/dbraw/zinc/39/11/26/261391126.db2.gz MGGBNMRNEGMRHU-STQMWFEESA-N 1 2 295.383 0.532 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000491420023 261570237 /nfs/dbraw/zinc/57/02/37/261570237.db2.gz WOKFNLPCKNTFMD-MELADBBJSA-N 1 2 285.409 0.660 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000491420023 261570239 /nfs/dbraw/zinc/57/02/39/261570239.db2.gz WOKFNLPCKNTFMD-MELADBBJSA-N 1 2 285.409 0.660 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497251889 262123329 /nfs/dbraw/zinc/12/33/29/262123329.db2.gz KWJJTFYLIRZFTP-GFCCVEGCSA-N 1 2 294.355 0.369 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497251889 262123330 /nfs/dbraw/zinc/12/33/30/262123330.db2.gz KWJJTFYLIRZFTP-GFCCVEGCSA-N 1 2 294.355 0.369 20 30 CCEDLO CC#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496836460 262357236 /nfs/dbraw/zinc/35/72/36/262357236.db2.gz QCFFDYBEXABVRY-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226604 263098332 /nfs/dbraw/zinc/09/83/32/263098332.db2.gz SBRWWZYCENGIAN-UHIISALHSA-N 1 2 280.372 0.250 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226604 263098333 /nfs/dbraw/zinc/09/83/33/263098333.db2.gz SBRWWZYCENGIAN-UHIISALHSA-N 1 2 280.372 0.250 20 30 CCEDLO CO/N=C/C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289218267 263108305 /nfs/dbraw/zinc/10/83/05/263108305.db2.gz XGLKZELTGZGTGN-NGWPFTMJSA-N 1 2 291.351 0.636 20 30 CCEDLO CO/N=C/C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289218267 263108306 /nfs/dbraw/zinc/10/83/06/263108306.db2.gz XGLKZELTGZGTGN-NGWPFTMJSA-N 1 2 291.351 0.636 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000292968662 263136754 /nfs/dbraw/zinc/13/67/54/263136754.db2.gz KXJDDSSOJAKVKG-SNVBAGLBSA-N 1 2 298.368 0.516 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000293129574 263138221 /nfs/dbraw/zinc/13/82/21/263138221.db2.gz YVCWXBIMRCRZHS-JTQLQIEISA-N 1 2 298.368 0.659 20 30 CCEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)C[C@H](C)C#N ZINC000299176575 263233736 /nfs/dbraw/zinc/23/37/36/263233736.db2.gz XNVBXCMMXSTVCY-HTQZYQBOSA-N 1 2 294.277 0.854 20 30 CCEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)C[C@H](C)C#N ZINC000299176575 263233737 /nfs/dbraw/zinc/23/37/37/263233737.db2.gz XNVBXCMMXSTVCY-HTQZYQBOSA-N 1 2 294.277 0.854 20 30 CCEDLO N#CCSCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000041757393 263288458 /nfs/dbraw/zinc/28/84/58/263288458.db2.gz QABZZBAESFJURF-UHFFFAOYSA-N 1 2 276.365 0.987 20 30 CCEDLO Cc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000340690587 263296972 /nfs/dbraw/zinc/29/69/72/263296972.db2.gz WEWWASPMEWNVLZ-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO C=CCCN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000342102120 263387701 /nfs/dbraw/zinc/38/77/01/263387701.db2.gz SVRFFJSDFYPAEW-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342108546 263388255 /nfs/dbraw/zinc/38/82/55/263388255.db2.gz CAROJBORULBORR-UHFFFAOYSA-N 1 2 276.315 0.982 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000328707471 263847590 /nfs/dbraw/zinc/84/75/90/263847590.db2.gz ZLQUBQHBTXEDFM-VIFPVBQESA-N 1 2 255.318 0.783 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000330708936 264020455 /nfs/dbraw/zinc/02/04/55/264020455.db2.gz VXAXEPHYTFPVRP-JTQLQIEISA-N 1 2 287.360 0.162 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000330708936 264020456 /nfs/dbraw/zinc/02/04/56/264020456.db2.gz VXAXEPHYTFPVRP-JTQLQIEISA-N 1 2 287.360 0.162 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330763838 264032058 /nfs/dbraw/zinc/03/20/58/264032058.db2.gz PCZHEPOFKXFUKF-LLVKDONJSA-N 1 2 296.371 0.193 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330763838 264032059 /nfs/dbraw/zinc/03/20/59/264032059.db2.gz PCZHEPOFKXFUKF-LLVKDONJSA-N 1 2 296.371 0.193 20 30 CCEDLO CCc1nc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)co1 ZINC000330813722 264045292 /nfs/dbraw/zinc/04/52/92/264045292.db2.gz FLGQPYKKCDAZSF-SECBINFHSA-N 1 2 253.302 0.872 20 30 CCEDLO CCc1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)co1 ZINC000330813722 264045294 /nfs/dbraw/zinc/04/52/94/264045294.db2.gz FLGQPYKKCDAZSF-SECBINFHSA-N 1 2 253.302 0.872 20 30 CCEDLO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)n(C)n1 ZINC000330818631 264046422 /nfs/dbraw/zinc/04/64/22/264046422.db2.gz GRMPKBISDOWLRR-GHMZBOCLSA-N 1 2 261.329 0.949 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000330788204 264053510 /nfs/dbraw/zinc/05/35/10/264053510.db2.gz YGCSSOUDSKSKHL-LBPRGKRZSA-N 1 2 275.356 0.707 20 30 CCEDLO CN(C)C(=O)NCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330948493 264086048 /nfs/dbraw/zinc/08/60/48/264086048.db2.gz BWVXUGANCGYCHK-VIFPVBQESA-N 1 2 279.344 0.421 20 30 CCEDLO CN(C)C(=O)NCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330948493 264086049 /nfs/dbraw/zinc/08/60/49/264086049.db2.gz BWVXUGANCGYCHK-VIFPVBQESA-N 1 2 279.344 0.421 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000330957266 264088307 /nfs/dbraw/zinc/08/83/07/264088307.db2.gz VRKYJHNUGAILQT-LLVKDONJSA-N 1 2 284.404 0.747 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000330957266 264088309 /nfs/dbraw/zinc/08/83/09/264088309.db2.gz VRKYJHNUGAILQT-LLVKDONJSA-N 1 2 284.404 0.747 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@H](CCO)C1)[NH+]1CCOCC1 ZINC000330933084 264097004 /nfs/dbraw/zinc/09/70/04/264097004.db2.gz BPBCTODXFRXWBE-BFHYXJOUSA-N 1 2 299.415 0.714 20 30 CCEDLO CCc1ocnc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000331045528 264108852 /nfs/dbraw/zinc/10/88/52/264108852.db2.gz HPIXASGZEIJRTB-CQSZACIVSA-N 1 2 297.355 0.625 20 30 CCEDLO Cc1cc(C)c(NC(=O)NCCS(N)(=O)=O)c(C)[nH+]1 ZINC000331224796 264149857 /nfs/dbraw/zinc/14/98/57/264149857.db2.gz BKGSLLWCNYSZFK-UHFFFAOYSA-N 1 2 286.357 0.621 20 30 CCEDLO Cc1cc[nH]c1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331232794 264172835 /nfs/dbraw/zinc/17/28/35/264172835.db2.gz AYPDLAKKGWCGRC-NSHDSACASA-N 1 2 267.329 0.321 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C#N)CCCC1 ZINC000331236404 264175148 /nfs/dbraw/zinc/17/51/48/264175148.db2.gz KQGUNHYLNCGBQU-ZDUSSCGKSA-N 1 2 295.383 0.222 20 30 CCEDLO COc1cc[nH+]c(CN2CCO[C@@H](C#N)C2)c1OC ZINC000188666998 264234561 /nfs/dbraw/zinc/23/45/61/264234561.db2.gz GFIJRQUNGNVZJF-JTQLQIEISA-N 1 2 263.297 0.823 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CC[N@@H+]1CCO ZINC000188821636 264251475 /nfs/dbraw/zinc/25/14/75/264251475.db2.gz CDUUKHUYQNFRQL-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CC[N@H+]1CCO ZINC000188821636 264251477 /nfs/dbraw/zinc/25/14/77/264251477.db2.gz CDUUKHUYQNFRQL-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000073350269 264287263 /nfs/dbraw/zinc/28/72/63/264287263.db2.gz XYFQZIGHXLASHP-UHFFFAOYSA-N 1 2 251.330 0.009 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000073350269 264287264 /nfs/dbraw/zinc/28/72/64/264287264.db2.gz XYFQZIGHXLASHP-UHFFFAOYSA-N 1 2 251.330 0.009 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000131793064 264373451 /nfs/dbraw/zinc/37/34/51/264373451.db2.gz CHXXXTFZXOBSGF-RYUDHWBXSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131793064 264373453 /nfs/dbraw/zinc/37/34/53/264373453.db2.gz CHXXXTFZXOBSGF-RYUDHWBXSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000180300543 264396709 /nfs/dbraw/zinc/39/67/09/264396709.db2.gz OJBRAAOLRLQCCG-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000356847003 266187664 /nfs/dbraw/zinc/18/76/64/266187664.db2.gz JQDUQSIIFBHWQV-KBPBESRZSA-N 1 2 284.400 0.787 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362605166 267020487 /nfs/dbraw/zinc/02/04/87/267020487.db2.gz CELTZVWHKRKHPZ-LBPRGKRZSA-N 1 2 296.415 0.984 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362605166 267020491 /nfs/dbraw/zinc/02/04/91/267020491.db2.gz CELTZVWHKRKHPZ-LBPRGKRZSA-N 1 2 296.415 0.984 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367466131 267092770 /nfs/dbraw/zinc/09/27/70/267092770.db2.gz RYRWULORXYJNTC-LBPRGKRZSA-N 1 2 281.381 0.953 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC#N ZINC000367802934 267118637 /nfs/dbraw/zinc/11/86/37/267118637.db2.gz FQEGFBLNYCHJIE-CHWSQXEVSA-N 1 2 280.372 0.795 20 30 CCEDLO CN(C)c1[nH+]cccc1CNc1cc(C#N)ncn1 ZINC000527384492 267296337 /nfs/dbraw/zinc/29/63/37/267296337.db2.gz XHQNJLOSTHKQHU-UHFFFAOYSA-N 1 2 254.297 0.843 20 30 CCEDLO C=CCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000121036695 267547521 /nfs/dbraw/zinc/54/75/21/267547521.db2.gz ARAVFCJXKYDZQX-ZDUSSCGKSA-N 1 2 288.413 0.689 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000376674659 268008262 /nfs/dbraw/zinc/00/82/62/268008262.db2.gz VIWFIWUYCQCKEU-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000376674659 268008264 /nfs/dbraw/zinc/00/82/64/268008264.db2.gz VIWFIWUYCQCKEU-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1C ZINC000352073380 278092364 /nfs/dbraw/zinc/09/23/64/278092364.db2.gz GLODSJPDLDJUMB-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1C ZINC000352073380 278092367 /nfs/dbraw/zinc/09/23/67/278092367.db2.gz GLODSJPDLDJUMB-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO COCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000267006023 328171501 /nfs/dbraw/zinc/17/15/01/328171501.db2.gz JVIUZAUJJCTYFS-UHFFFAOYSA-N 1 2 282.296 0.787 20 30 CCEDLO N#CCN1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272330270 328199686 /nfs/dbraw/zinc/19/96/86/328199686.db2.gz NJLZZLLOSDQBTF-UHFFFAOYSA-N 1 2 296.334 0.549 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187667716 328301336 /nfs/dbraw/zinc/30/13/36/328301336.db2.gz SAVSVEBCJWRQLZ-HUUCEWRRSA-N 1 2 297.443 0.798 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187667716 328301337 /nfs/dbraw/zinc/30/13/37/328301337.db2.gz SAVSVEBCJWRQLZ-HUUCEWRRSA-N 1 2 297.443 0.798 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042643124 328364885 /nfs/dbraw/zinc/36/48/85/328364885.db2.gz QYFBZBOIXMRIDT-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000042643124 328364886 /nfs/dbraw/zinc/36/48/86/328364886.db2.gz QYFBZBOIXMRIDT-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO CC(C)[C@@H](NC(=O)NCc1[nH+]ccn1C)C(N)=O ZINC000331015190 328473903 /nfs/dbraw/zinc/47/39/03/328473903.db2.gz XLQIYGSEXHOLSG-SECBINFHSA-N 1 2 253.306 0.984 20 30 CCEDLO C[C@H](C#N)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557397566 327004398 /nfs/dbraw/zinc/00/43/98/327004398.db2.gz ONDWDKDAELGGFV-SECBINFHSA-N 1 2 271.280 0.549 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCSC[C@H]1C#N ZINC000557470638 327007575 /nfs/dbraw/zinc/00/75/75/327007575.db2.gz FNQJZIGFBXDDPK-SNVBAGLBSA-N 1 2 250.327 0.430 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2ccncc2C#N)CCO1 ZINC000553566157 327089871 /nfs/dbraw/zinc/08/98/71/327089871.db2.gz XUDSVHMWOLSZKE-ZDUSSCGKSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2ccncc2C#N)CCO1 ZINC000553566157 327089873 /nfs/dbraw/zinc/08/98/73/327089873.db2.gz XUDSVHMWOLSZKE-ZDUSSCGKSA-N 1 2 260.341 0.898 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1ncnn1C(C)(C)C ZINC000566128839 327144160 /nfs/dbraw/zinc/14/41/60/327144160.db2.gz MMWHWYZFWNUQNY-LBPRGKRZSA-N 1 2 294.403 0.329 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1ncnn1C(C)(C)C ZINC000566128839 327144161 /nfs/dbraw/zinc/14/41/61/327144161.db2.gz MMWHWYZFWNUQNY-LBPRGKRZSA-N 1 2 294.403 0.329 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccnc1 ZINC000578135309 327301976 /nfs/dbraw/zinc/30/19/76/327301976.db2.gz AAHYGXARUSFBQO-CYBMUJFWSA-N 1 2 262.313 0.420 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1CCCCCCC1=O ZINC000574881247 327391170 /nfs/dbraw/zinc/39/11/70/327391170.db2.gz TUBDVIDLZNBXQT-OAHLLOKOSA-N 1 2 294.399 0.739 20 30 CCEDLO CC(C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nncn1C ZINC000566871095 327485208 /nfs/dbraw/zinc/48/52/08/327485208.db2.gz AGYGWUMZBSNDGN-GFCCVEGCSA-N 1 2 290.371 0.664 20 30 CCEDLO C=CCC[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378407295 329049503 /nfs/dbraw/zinc/04/95/03/329049503.db2.gz UXWMOAIHCCUALM-KBPBESRZSA-N 1 2 254.374 0.720 20 30 CCEDLO COC(=O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000176264705 329175979 /nfs/dbraw/zinc/17/59/79/329175979.db2.gz LIQOBCMKQFHNLJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO COC(=O)CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000176264705 329175980 /nfs/dbraw/zinc/17/59/80/329175980.db2.gz LIQOBCMKQFHNLJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO COC(=O)CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000176264705 329175981 /nfs/dbraw/zinc/17/59/81/329175981.db2.gz LIQOBCMKQFHNLJ-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178730261 329200217 /nfs/dbraw/zinc/20/02/17/329200217.db2.gz BMMHJJPGPSJDKK-CHWSQXEVSA-N 1 2 267.373 0.084 20 30 CCEDLO C#C[C@@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000186077813 329337117 /nfs/dbraw/zinc/33/71/17/329337117.db2.gz CEHALSVKGZQVMV-NEPJUHHUSA-N 1 2 258.325 0.981 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190205953 329393164 /nfs/dbraw/zinc/39/31/64/329393164.db2.gz DBAZPZIQBQNVKH-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190205953 329393165 /nfs/dbraw/zinc/39/31/65/329393165.db2.gz DBAZPZIQBQNVKH-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000248567732 329892110 /nfs/dbraw/zinc/89/21/10/329892110.db2.gz LFIODDGQBLMBQJ-YNEHKIRRSA-N 1 2 285.388 0.332 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000057168994 330372080 /nfs/dbraw/zinc/37/20/80/330372080.db2.gz CCUJMBCYWMWGMP-UHFFFAOYSA-N 1 2 282.307 0.437 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434462921 330639358 /nfs/dbraw/zinc/63/93/58/330639358.db2.gz KDOLPQOHIVJNFQ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000454493143 331147367 /nfs/dbraw/zinc/14/73/67/331147367.db2.gz VRPQEQTXOQZHAL-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000454493143 331147368 /nfs/dbraw/zinc/14/73/68/331147368.db2.gz VRPQEQTXOQZHAL-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000458296493 331247535 /nfs/dbraw/zinc/24/75/35/331247535.db2.gz FJSLXXMUGJCPIP-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000458296493 331247536 /nfs/dbraw/zinc/24/75/36/331247536.db2.gz FJSLXXMUGJCPIP-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000490715552 332107987 /nfs/dbraw/zinc/10/79/87/332107987.db2.gz XFGKFCCZONCQQL-HUUCEWRRSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)CC(F)(F)F ZINC000490761222 332113354 /nfs/dbraw/zinc/11/33/54/332113354.db2.gz SQWRXVCKEJRPRB-UHFFFAOYSA-N 1 2 260.259 0.966 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)CC(F)(F)F ZINC000490761222 332113355 /nfs/dbraw/zinc/11/33/55/332113355.db2.gz SQWRXVCKEJRPRB-UHFFFAOYSA-N 1 2 260.259 0.966 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C(C)(C)c1noc(CC)n1 ZINC000491203619 332165625 /nfs/dbraw/zinc/16/56/25/332165625.db2.gz YARXTXPBNRKCKH-UHFFFAOYSA-N 1 2 264.329 0.596 20 30 CCEDLO C#CC[N@@H+](CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491242689 332172552 /nfs/dbraw/zinc/17/25/52/332172552.db2.gz RRVXRCVEVSFIBO-CQSZACIVSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491242689 332172553 /nfs/dbraw/zinc/17/25/53/332172553.db2.gz RRVXRCVEVSFIBO-CQSZACIVSA-N 1 2 285.409 0.925 20 30 CCEDLO C#C[C@H]1COCCN1Cc1[nH+]ccc(OC)c1OC ZINC000491264352 332176563 /nfs/dbraw/zinc/17/65/63/332176563.db2.gz GEONGWMHRVWZIE-NSHDSACASA-N 1 2 262.309 0.933 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000491374753 332199860 /nfs/dbraw/zinc/19/98/60/332199860.db2.gz SPHONYDGCIEWFI-NEPJUHHUSA-N 1 2 262.313 0.315 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000491421003 332208691 /nfs/dbraw/zinc/20/86/91/332208691.db2.gz ZCRMZHQBXOUFKR-IUODEOHRSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000491421003 332208692 /nfs/dbraw/zinc/20/86/92/332208692.db2.gz ZCRMZHQBXOUFKR-IUODEOHRSA-N 1 2 295.358 0.018 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[NH+]1CCOCC1 ZINC000491454065 332214909 /nfs/dbraw/zinc/21/49/09/332214909.db2.gz VQPOMINAZVJYTJ-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491497135 332223730 /nfs/dbraw/zinc/22/37/30/332223730.db2.gz VUFOJRFBFYEGHW-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)CC1 ZINC000491505270 332224834 /nfs/dbraw/zinc/22/48/34/332224834.db2.gz LENSZNOSHRWXDB-LLVKDONJSA-N 1 2 290.371 0.107 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491507809 332225855 /nfs/dbraw/zinc/22/58/55/332225855.db2.gz XERIULYXBMMYHW-MGPQQGTHSA-N 1 2 295.383 0.139 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C1(C(=O)OC)CCCC1 ZINC000491701122 332295557 /nfs/dbraw/zinc/29/55/57/332295557.db2.gz FNECVZGBXBNBHH-UHFFFAOYSA-N 1 2 252.314 0.201 20 30 CCEDLO C#CC[N@@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491801735 332356042 /nfs/dbraw/zinc/35/60/42/332356042.db2.gz DOZUYJLXFQVVQH-RYUDHWBXSA-N 1 2 270.354 0.037 20 30 CCEDLO C#CC[N@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491801735 332356044 /nfs/dbraw/zinc/35/60/44/332356044.db2.gz DOZUYJLXFQVVQH-RYUDHWBXSA-N 1 2 270.354 0.037 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1CC1 ZINC000491803823 332357704 /nfs/dbraw/zinc/35/77/04/332357704.db2.gz JLWLDZVCJJAXBP-UHFFFAOYSA-N 1 2 251.330 0.566 20 30 CCEDLO CCOCCO[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566306309 334641936 /nfs/dbraw/zinc/64/19/36/334641936.db2.gz LTBCCMRVTBGNNY-AAEUAGOBSA-N 1 2 271.361 0.388 20 30 CCEDLO COC[C@H](C)[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517153414 333093097 /nfs/dbraw/zinc/09/30/97/333093097.db2.gz DADSVHKIHIKYDF-GMXVVIOVSA-N 1 2 255.362 0.865 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000547660416 334106832 /nfs/dbraw/zinc/10/68/32/334106832.db2.gz WNYZAWMQUAILSP-MBHSVXNSSA-N 1 2 265.357 0.451 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000547660416 334106833 /nfs/dbraw/zinc/10/68/33/334106833.db2.gz WNYZAWMQUAILSP-MBHSVXNSSA-N 1 2 265.357 0.451 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000548085153 334138997 /nfs/dbraw/zinc/13/89/97/334138997.db2.gz SGYCSXMKLHAGME-NXEZZACHSA-N 1 2 260.297 0.581 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245777592 334219024 /nfs/dbraw/zinc/21/90/24/334219024.db2.gz LSIRGHXXIBFSSP-VXGBXAGGSA-N 1 2 294.399 0.593 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245777592 334219025 /nfs/dbraw/zinc/21/90/25/334219025.db2.gz LSIRGHXXIBFSSP-VXGBXAGGSA-N 1 2 294.399 0.593 20 30 CCEDLO N#Cc1ncn(CCNc2nc(C3CC3)[nH+]c3c2CCC3)n1 ZINC000553303864 334375631 /nfs/dbraw/zinc/37/56/31/334375631.db2.gz OONHPCSVVMQJBY-UHFFFAOYSA-N 1 2 295.350 0.840 20 30 CCEDLO C=CCCOCCNC(=O)NCC[NH+]1CCOCC1 ZINC000155445053 334721350 /nfs/dbraw/zinc/72/13/50/334721350.db2.gz VWZJWICEUOSGJJ-UHFFFAOYSA-N 1 2 271.361 0.211 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343539542 335208606 /nfs/dbraw/zinc/20/86/06/335208606.db2.gz UUBBCBGPCREIOJ-ZIAGYGMSSA-N 1 2 274.320 0.861 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343539542 335208607 /nfs/dbraw/zinc/20/86/07/335208607.db2.gz UUBBCBGPCREIOJ-ZIAGYGMSSA-N 1 2 274.320 0.861 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)c(N)n1 ZINC000577509193 335362284 /nfs/dbraw/zinc/36/22/84/335362284.db2.gz BCXIVIDSWPDPSI-JTQLQIEISA-N 1 2 261.329 0.090 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)c(N)n1 ZINC000577509193 335362285 /nfs/dbraw/zinc/36/22/85/335362285.db2.gz BCXIVIDSWPDPSI-JTQLQIEISA-N 1 2 261.329 0.090 20 30 CCEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)NCC#N)cs1 ZINC000184695540 335931712 /nfs/dbraw/zinc/93/17/12/335931712.db2.gz QJIQYEYRDOZUHC-MRVPVSSYSA-N 1 2 252.343 0.996 20 30 CCEDLO CO[C@H](C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000581618867 336113750 /nfs/dbraw/zinc/11/37/50/336113750.db2.gz RGEOKRKGHQQNOM-GFCCVEGCSA-N 1 2 291.351 0.587 20 30 CCEDLO Cn1nnc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000330207690 534325719 /nfs/dbraw/zinc/32/57/19/534325719.db2.gz ANCQRSUCBBSGEM-SECBINFHSA-N 1 2 290.331 0.227 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cc1F ZINC000452092277 534779667 /nfs/dbraw/zinc/77/96/67/534779667.db2.gz WOAYPZORQNMWEN-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1F ZINC000452092277 534779676 /nfs/dbraw/zinc/77/96/76/534779676.db2.gz WOAYPZORQNMWEN-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2CC(=O)OC)C1=O ZINC000347451506 526509896 /nfs/dbraw/zinc/50/98/96/526509896.db2.gz OLFKVNNWCKIZGV-NEPJUHHUSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2CC(=O)OC)C1=O ZINC000347451506 526509901 /nfs/dbraw/zinc/50/99/01/526509901.db2.gz OLFKVNNWCKIZGV-NEPJUHHUSA-N 1 2 282.340 0.037 20 30 CCEDLO CC(=O)N1CC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329986469 526511567 /nfs/dbraw/zinc/51/15/67/526511567.db2.gz RWEDGSYNYMAVTP-LLVKDONJSA-N 1 2 262.313 0.633 20 30 CCEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329076705 526548024 /nfs/dbraw/zinc/54/80/24/526548024.db2.gz QAUOMZBJLCAISF-QWHCGFSZSA-N 1 2 283.372 0.675 20 30 CCEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329076705 526548028 /nfs/dbraw/zinc/54/80/28/526548028.db2.gz QAUOMZBJLCAISF-QWHCGFSZSA-N 1 2 283.372 0.675 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115574104 526591235 /nfs/dbraw/zinc/59/12/35/526591235.db2.gz NCFJGTWUHXVLAL-JTQLQIEISA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115574104 526591244 /nfs/dbraw/zinc/59/12/44/526591244.db2.gz NCFJGTWUHXVLAL-JTQLQIEISA-N 1 2 255.318 0.109 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061707747 526771353 /nfs/dbraw/zinc/77/13/53/526771353.db2.gz KKJKYLNLPQJRFX-VIFPVBQESA-N 1 2 251.311 0.625 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000061707747 526771360 /nfs/dbraw/zinc/77/13/60/526771360.db2.gz KKJKYLNLPQJRFX-VIFPVBQESA-N 1 2 251.311 0.625 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000354685143 527195579 /nfs/dbraw/zinc/19/55/79/527195579.db2.gz ZOCBCKYVJBIVDL-GFCCVEGCSA-N 1 2 283.372 0.087 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333213372 527506631 /nfs/dbraw/zinc/50/66/31/527506631.db2.gz UKLAXKOVJFJYEZ-FVCCEPFGSA-N 1 2 281.356 0.054 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333213372 527506633 /nfs/dbraw/zinc/50/66/33/527506633.db2.gz UKLAXKOVJFJYEZ-FVCCEPFGSA-N 1 2 281.356 0.054 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000668253621 545169488 /nfs/dbraw/zinc/16/94/88/545169488.db2.gz HSXXBQWGQLGHRJ-OCCSQVGLSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000668253621 545169489 /nfs/dbraw/zinc/16/94/89/545169489.db2.gz HSXXBQWGQLGHRJ-OCCSQVGLSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000668557795 545181713 /nfs/dbraw/zinc/18/17/13/545181713.db2.gz QUOMBILNDCXBGM-ZDUSSCGKSA-N 1 2 256.346 0.104 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668812798 545191520 /nfs/dbraw/zinc/19/15/20/545191520.db2.gz VHSYGVVSTJMIMR-LBPRGKRZSA-N 1 2 290.367 0.851 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC000329153714 527871276 /nfs/dbraw/zinc/87/12/76/527871276.db2.gz BCGZTGUCWUZNAX-MNOVXSKESA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC000329153714 527871282 /nfs/dbraw/zinc/87/12/82/527871282.db2.gz BCGZTGUCWUZNAX-MNOVXSKESA-N 1 2 290.385 0.241 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000115574401 529308233 /nfs/dbraw/zinc/30/82/33/529308233.db2.gz FITGZAQEGJZICR-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000115574401 529308235 /nfs/dbraw/zinc/30/82/35/529308235.db2.gz FITGZAQEGJZICR-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000677480346 545366437 /nfs/dbraw/zinc/36/64/37/545366437.db2.gz WMPCIPWMKJBXNA-NSHDSACASA-N 1 2 268.386 0.906 20 30 CCEDLO COCC#CC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000677820120 545373611 /nfs/dbraw/zinc/37/36/11/545373611.db2.gz GTGPBXCGXGCMAN-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO COCC#CC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000677820120 545373612 /nfs/dbraw/zinc/37/36/12/545373612.db2.gz GTGPBXCGXGCMAN-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000679491507 545410490 /nfs/dbraw/zinc/41/04/90/545410490.db2.gz MRPLCTJPQWYKQM-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000679491507 545410491 /nfs/dbraw/zinc/41/04/91/545410491.db2.gz MRPLCTJPQWYKQM-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000679630463 545412723 /nfs/dbraw/zinc/41/27/23/545412723.db2.gz SREQATXHBKILKA-UHFFFAOYSA-N 1 2 271.361 0.163 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ncnn1CC(F)F ZINC000683804121 545566141 /nfs/dbraw/zinc/56/61/41/545566141.db2.gz HMUBOVHUJHRTMT-SECBINFHSA-N 1 2 260.288 0.912 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000683804121 545566144 /nfs/dbraw/zinc/56/61/44/545566144.db2.gz HMUBOVHUJHRTMT-SECBINFHSA-N 1 2 260.288 0.912 20 30 CCEDLO N#CCc1ccccc1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000776984725 581103431 /nfs/dbraw/zinc/10/34/31/581103431.db2.gz VQQNQIJIUAXMLZ-MRXNPFEDSA-N 1 2 298.390 0.411 20 30 CCEDLO C#CCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777632255 581125397 /nfs/dbraw/zinc/12/53/97/581125397.db2.gz NZUXDBBNFZZNTF-NSHDSACASA-N 1 2 262.313 0.147 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000790266106 581181865 /nfs/dbraw/zinc/18/18/65/581181865.db2.gz AZIGTCICLDOOTJ-ZDUSSCGKSA-N 1 2 275.352 0.122 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000790266106 581181866 /nfs/dbraw/zinc/18/18/66/581181866.db2.gz AZIGTCICLDOOTJ-ZDUSSCGKSA-N 1 2 275.352 0.122 20 30 CCEDLO COC(=O)c1cc(C=NNc2[nH+]ccn2C)cn1C ZINC000790305217 581183342 /nfs/dbraw/zinc/18/33/42/581183342.db2.gz FNXICCLSWZBDTH-UHFFFAOYSA-N 1 2 261.285 0.991 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nnc2ccccn21 ZINC000779377062 581183420 /nfs/dbraw/zinc/18/34/20/581183420.db2.gz DJETWDMHASUZFP-NSHDSACASA-N 1 2 269.308 0.765 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nnc2ccccn21 ZINC000779377062 581183422 /nfs/dbraw/zinc/18/34/22/581183422.db2.gz DJETWDMHASUZFP-NSHDSACASA-N 1 2 269.308 0.765 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@H](C2CC2)O1 ZINC000791553350 581224468 /nfs/dbraw/zinc/22/44/68/581224468.db2.gz NBODLKZQSBEQCZ-ZYHUDNBSSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@H](C2CC2)O1 ZINC000791553350 581224470 /nfs/dbraw/zinc/22/44/70/581224470.db2.gz NBODLKZQSBEQCZ-ZYHUDNBSSA-N 1 2 251.330 0.516 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780956170 581252171 /nfs/dbraw/zinc/25/21/71/581252171.db2.gz QJUNOUQPCZHSKJ-ZDUSSCGKSA-N 1 2 270.292 0.940 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)[C@@H]1CCCO1 ZINC000792287361 581257176 /nfs/dbraw/zinc/25/71/76/581257176.db2.gz WIBXATIBQOKXEH-DLOVCJGASA-N 1 2 261.329 0.839 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000783547342 581349815 /nfs/dbraw/zinc/34/98/15/581349815.db2.gz YDGJJDYXRBKZNY-UHFFFAOYSA-N 1 2 293.348 0.665 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000786972319 581454892 /nfs/dbraw/zinc/45/48/92/581454892.db2.gz KGVUEFGCCGQFRQ-ZDUSSCGKSA-N 1 2 272.352 0.223 20 30 CCEDLO CO[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000787226107 581461041 /nfs/dbraw/zinc/46/10/41/581461041.db2.gz GWBOOBOTWYFKOA-NSHDSACASA-N 1 2 251.330 0.817 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000787247892 581462721 /nfs/dbraw/zinc/46/27/21/581462721.db2.gz VCJKKWACCNZAEO-CMPLNLGQSA-N 1 2 275.308 0.561 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000787247892 581462724 /nfs/dbraw/zinc/46/27/24/581462724.db2.gz VCJKKWACCNZAEO-CMPLNLGQSA-N 1 2 275.308 0.561 20 30 CCEDLO C[C@H](C(=O)NC1=NO[C@H](C)C1)[NH+]1CCSCC1 ZINC000765384215 581510578 /nfs/dbraw/zinc/51/05/78/581510578.db2.gz MOEGFDRHSNZPJA-RKDXNWHRSA-N 1 2 257.359 0.662 20 30 CCEDLO C#CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000733648321 581516496 /nfs/dbraw/zinc/51/64/96/581516496.db2.gz NXWYQOIESKRNPB-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000752853615 581518932 /nfs/dbraw/zinc/51/89/32/581518932.db2.gz DPMIBNGGZLMLRR-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C#C)cn2)CC1 ZINC000728982512 581527034 /nfs/dbraw/zinc/52/70/34/581527034.db2.gz DEENYBKSEFOONI-UHFFFAOYSA-N 1 2 253.305 0.454 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000766245267 581558860 /nfs/dbraw/zinc/55/88/60/581558860.db2.gz HSQJCBYWYXOLAB-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000766245267 581558863 /nfs/dbraw/zinc/55/88/63/581558863.db2.gz HSQJCBYWYXOLAB-UHFFFAOYSA-N 1 2 291.395 0.603 20 30 CCEDLO C#CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000753896741 581563744 /nfs/dbraw/zinc/56/37/44/581563744.db2.gz BONRDVRBFSWNQU-UHFFFAOYSA-N 1 2 258.321 0.843 20 30 CCEDLO O=S1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753933837 581565560 /nfs/dbraw/zinc/56/55/60/581565560.db2.gz FNHQBTJDUVSIKK-QMZNTLOPSA-N 1 2 268.386 0.745 20 30 CCEDLO C#CC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000753953667 581566691 /nfs/dbraw/zinc/56/66/91/581566691.db2.gz DYJJILYLDKQIPI-UHFFFAOYSA-N 1 2 281.356 0.289 20 30 CCEDLO C=CCNC(=S)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729647897 581608779 /nfs/dbraw/zinc/60/87/79/581608779.db2.gz PDLGTAFJHHOLST-WDEREUQCSA-N 1 2 257.403 0.746 20 30 CCEDLO C[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H]1O ZINC000768769399 581654693 /nfs/dbraw/zinc/65/46/93/581654693.db2.gz RFJWLXJKKNSJHV-FZMZJTMJSA-N 1 2 298.346 0.733 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H]1O ZINC000768769399 581654694 /nfs/dbraw/zinc/65/46/94/581654694.db2.gz RFJWLXJKKNSJHV-FZMZJTMJSA-N 1 2 298.346 0.733 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000757839268 581711684 /nfs/dbraw/zinc/71/16/84/581711684.db2.gz JHNQLOCVSHYUJX-UHFFFAOYSA-N 1 2 253.733 0.860 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000757839268 581711686 /nfs/dbraw/zinc/71/16/86/581711686.db2.gz JHNQLOCVSHYUJX-UHFFFAOYSA-N 1 2 253.733 0.860 20 30 CCEDLO C#CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000753938403 581712337 /nfs/dbraw/zinc/71/23/37/581712337.db2.gz BREVVRBKHOWDSR-VXGBXAGGSA-N 1 2 273.336 0.945 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000741715849 581760398 /nfs/dbraw/zinc/76/03/98/581760398.db2.gz OYNKKPQSPQQJJH-JTQLQIEISA-N 1 2 257.297 0.129 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3nccnc3c2)CC1 ZINC000759026381 581781176 /nfs/dbraw/zinc/78/11/76/581781176.db2.gz YCNNIXYLBUGZSF-UHFFFAOYSA-N 1 2 295.346 0.806 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000731848537 581783417 /nfs/dbraw/zinc/78/34/17/581783417.db2.gz UFMMUEZRRFKEQG-CQSZACIVSA-N 1 2 285.347 0.473 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000731848537 581783419 /nfs/dbraw/zinc/78/34/19/581783419.db2.gz UFMMUEZRRFKEQG-CQSZACIVSA-N 1 2 285.347 0.473 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000744422227 581841889 /nfs/dbraw/zinc/84/18/89/581841889.db2.gz BYRNKXRYRQDZQU-UHFFFAOYSA-N 1 2 269.308 0.120 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732809345 581850456 /nfs/dbraw/zinc/85/04/56/581850456.db2.gz VSPMRSOIQMFTFN-ZDUSSCGKSA-N 1 2 292.383 0.493 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732809345 581850458 /nfs/dbraw/zinc/85/04/58/581850458.db2.gz VSPMRSOIQMFTFN-ZDUSSCGKSA-N 1 2 292.383 0.493 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC000746259866 581905417 /nfs/dbraw/zinc/90/54/17/581905417.db2.gz RCLVQJUAWDSYIG-UHFFFAOYSA-N 1 2 269.308 0.120 20 30 CCEDLO COc1c(O)c(C=NNC2=[NH+]C[C@H](C)N2)ccc1[N+](=O)[O-] ZINC000773080660 581908095 /nfs/dbraw/zinc/90/80/95/581908095.db2.gz WVKOTKKLSYVHNN-ZETCQYMHSA-N 1 2 293.283 0.580 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H](CO)C1 ZINC000746461923 581914558 /nfs/dbraw/zinc/91/45/58/581914558.db2.gz GHUFKCLKLCVPRE-LBPRGKRZSA-N 1 2 298.346 0.734 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H](CO)C1 ZINC000746461923 581914559 /nfs/dbraw/zinc/91/45/59/581914559.db2.gz GHUFKCLKLCVPRE-LBPRGKRZSA-N 1 2 298.346 0.734 20 30 CCEDLO Cn1nncc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858302 581922194 /nfs/dbraw/zinc/92/21/94/581922194.db2.gz SODXZRRFZXWBNV-UHFFFAOYSA-N 1 2 269.272 0.237 20 30 CCEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCC1 ZINC000747627555 581947330 /nfs/dbraw/zinc/94/73/30/581947330.db2.gz JSYUORSQAHZLLT-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](CC)Cc2ccoc2)CC1 ZINC000748812575 581988310 /nfs/dbraw/zinc/98/83/10/581988310.db2.gz JNDWZGXAEHVPKW-UHFFFAOYSA-N 1 2 289.379 0.879 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](CC)Cc2ccoc2)CC1 ZINC000748812575 581988313 /nfs/dbraw/zinc/98/83/13/581988313.db2.gz JNDWZGXAEHVPKW-UHFFFAOYSA-N 1 2 289.379 0.879 20 30 CCEDLO C=CC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000763725323 582012110 /nfs/dbraw/zinc/01/21/10/582012110.db2.gz BGVCALKFSNYSRB-NWDGAFQWSA-N 1 2 299.392 0.757 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000763725323 582012112 /nfs/dbraw/zinc/01/21/12/582012112.db2.gz BGVCALKFSNYSRB-NWDGAFQWSA-N 1 2 299.392 0.757 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000763725326 582012120 /nfs/dbraw/zinc/01/21/20/582012120.db2.gz BGVCALKFSNYSRB-RYUDHWBXSA-N 1 2 299.392 0.757 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000763725326 582012123 /nfs/dbraw/zinc/01/21/23/582012123.db2.gz BGVCALKFSNYSRB-RYUDHWBXSA-N 1 2 299.392 0.757 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000775324912 582018023 /nfs/dbraw/zinc/01/80/23/582018023.db2.gz ASSWHNGVWOUQJK-XBFCOCLRSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000749810807 582023218 /nfs/dbraw/zinc/02/32/18/582023218.db2.gz NGDUKOCVZIFFIS-IBGZPJMESA-N 1 2 278.377 0.605 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000749810807 582023220 /nfs/dbraw/zinc/02/32/20/582023220.db2.gz NGDUKOCVZIFFIS-IBGZPJMESA-N 1 2 278.377 0.605 20 30 CCEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000749808564 582023411 /nfs/dbraw/zinc/02/34/11/582023411.db2.gz FOMBKGVMDZAQII-FQEVSTJZSA-N 1 2 293.392 0.886 20 30 CCEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000749808564 582023413 /nfs/dbraw/zinc/02/34/13/582023413.db2.gz FOMBKGVMDZAQII-FQEVSTJZSA-N 1 2 293.392 0.886 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)[C@H]1CCCO1 ZINC000775792827 582039095 /nfs/dbraw/zinc/03/90/95/582039095.db2.gz SZBNWGPDMJOQTN-ZIAGYGMSSA-N 1 2 283.335 0.933 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)[C@H]1CCCO1 ZINC000775799391 582039621 /nfs/dbraw/zinc/03/96/21/582039621.db2.gz KQHRZWBSEFGREM-BFHYXJOUSA-N 1 2 258.321 0.983 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C1CC1 ZINC000750879697 582062409 /nfs/dbraw/zinc/06/24/09/582062409.db2.gz VZJWXOYRYUOARK-SWLSCSKDSA-N 1 2 299.378 0.644 20 30 CCEDLO CS(=O)(=O)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000764698010 582062774 /nfs/dbraw/zinc/06/27/74/582062774.db2.gz CWUFKENZVSEJRY-UHFFFAOYSA-N 1 2 268.342 0.587 20 30 CCEDLO C#CCOCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972679 612981721 /nfs/dbraw/zinc/98/17/21/612981721.db2.gz GBHBFQFTBARYQB-KBPBESRZSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972679 612981723 /nfs/dbraw/zinc/98/17/23/612981723.db2.gz GBHBFQFTBARYQB-KBPBESRZSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000851711776 612983666 /nfs/dbraw/zinc/98/36/66/612983666.db2.gz GBFUCPLYKRLDCJ-UHFFFAOYSA-N 1 2 279.384 0.860 20 30 CCEDLO C#CCSCC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000897600358 613008710 /nfs/dbraw/zinc/00/87/10/613008710.db2.gz DDKVXHXLHCJNCT-UHFFFAOYSA-N 1 2 284.425 0.922 20 30 CCEDLO C#CCSCC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000897600358 613008712 /nfs/dbraw/zinc/00/87/12/613008712.db2.gz DDKVXHXLHCJNCT-UHFFFAOYSA-N 1 2 284.425 0.922 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898666044 613012089 /nfs/dbraw/zinc/01/20/89/613012089.db2.gz MYFBRBWOKGKWTN-NWDGAFQWSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898666044 613012092 /nfs/dbraw/zinc/01/20/92/613012092.db2.gz MYFBRBWOKGKWTN-NWDGAFQWSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nc3ccc(OC)nc3[nH]2)CC1 ZINC000931151264 612952543 /nfs/dbraw/zinc/95/25/43/612952543.db2.gz PWTRUQAOBUWZOY-UHFFFAOYSA-N 1 2 286.335 0.927 20 30 CCEDLO COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)on1 ZINC000971211964 617184925 /nfs/dbraw/zinc/18/49/25/617184925.db2.gz VTLMALYDBURCMU-WDEREUQCSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)on1 ZINC000971211964 617184927 /nfs/dbraw/zinc/18/49/27/617184927.db2.gz VTLMALYDBURCMU-WDEREUQCSA-N 1 2 292.339 0.876 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000798398468 613061026 /nfs/dbraw/zinc/06/10/26/613061026.db2.gz QFMAYUWTVXSCOT-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000798398468 613061028 /nfs/dbraw/zinc/06/10/28/613061028.db2.gz QFMAYUWTVXSCOT-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000914083460 613067733 /nfs/dbraw/zinc/06/77/33/613067733.db2.gz SGYIKQGNCIACEH-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872379784 612956739 /nfs/dbraw/zinc/95/67/39/612956739.db2.gz LQMVQRJYQRUZQM-UHFFFAOYSA-N 1 2 287.363 0.954 20 30 CCEDLO COc1ccc(CC(N)=[NH+]O[C@H]2CCN(C)C2=O)cc1 ZINC000116267577 617238036 /nfs/dbraw/zinc/23/80/36/617238036.db2.gz OCUYBYHCSXZCKV-LBPRGKRZSA-N 1 2 277.324 0.757 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C2CC2)CC1 ZINC000980840325 617289274 /nfs/dbraw/zinc/28/92/74/617289274.db2.gz XTMCCDJUHRVGQP-LBPRGKRZSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C2CC2)CC1 ZINC000980840325 617289275 /nfs/dbraw/zinc/28/92/75/617289275.db2.gz XTMCCDJUHRVGQP-LBPRGKRZSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939395634 617291094 /nfs/dbraw/zinc/29/10/94/617291094.db2.gz FGSCAJATDNNKNC-WDEREUQCSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC1(O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000899117688 612951912 /nfs/dbraw/zinc/95/19/12/612951912.db2.gz KBAWIZHZTGNTAT-UHFFFAOYSA-N 1 2 269.304 0.935 20 30 CCEDLO C#CC1CC[NH+]([C@H](CCC(=O)OC)C(=O)OC)CC1 ZINC000852206100 612964959 /nfs/dbraw/zinc/96/49/59/612964959.db2.gz YITVCVJOUCYNON-GFCCVEGCSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000851911092 612984358 /nfs/dbraw/zinc/98/43/58/612984358.db2.gz URPFIRKCGOTZIU-VXGBXAGGSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000851911092 612984359 /nfs/dbraw/zinc/98/43/59/612984359.db2.gz URPFIRKCGOTZIU-VXGBXAGGSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805280041 612986680 /nfs/dbraw/zinc/98/66/80/612986680.db2.gz XLHLQSZJKIEGPI-KGLIPLIRSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC000950919958 612990723 /nfs/dbraw/zinc/99/07/23/612990723.db2.gz PGONRCVJUKTHNN-OCCSQVGLSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000840567936 612993590 /nfs/dbraw/zinc/99/35/90/612993590.db2.gz DVIZZYBVMATAMM-ZDUSSCGKSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000854546623 613024258 /nfs/dbraw/zinc/02/42/58/613024258.db2.gz JGXJTDWDJRCZHL-LBPRGKRZSA-N 1 2 271.320 0.686 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875194855 613035086 /nfs/dbraw/zinc/03/50/86/613035086.db2.gz MZOOFTIIDGRIFY-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875194855 613035088 /nfs/dbraw/zinc/03/50/88/613035088.db2.gz MZOOFTIIDGRIFY-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000854909564 613040758 /nfs/dbraw/zinc/04/07/58/613040758.db2.gz CUKLBJUDGWWMAH-GHMZBOCLSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@@H](NCc1cccc2[nH+]ccn21)C(=O)OC ZINC000839169432 613042675 /nfs/dbraw/zinc/04/26/75/613042675.db2.gz RGXNGQQPYJLQFP-GFCCVEGCSA-N 1 2 257.293 0.989 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000859219747 613050297 /nfs/dbraw/zinc/05/02/97/613050297.db2.gz HAAVATROLXIEMO-NEPJUHHUSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000859219747 613050298 /nfs/dbraw/zinc/05/02/98/613050298.db2.gz HAAVATROLXIEMO-NEPJUHHUSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000879002168 613056140 /nfs/dbraw/zinc/05/61/40/613056140.db2.gz QLDWUCSZFILRJF-LLVKDONJSA-N 1 2 276.340 0.962 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893674374 613059827 /nfs/dbraw/zinc/05/98/27/613059827.db2.gz ZZTFSGLSZNUZJL-NWDGAFQWSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893674374 613059828 /nfs/dbraw/zinc/05/98/28/613059828.db2.gz ZZTFSGLSZNUZJL-NWDGAFQWSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000863799067 613065399 /nfs/dbraw/zinc/06/53/99/613065399.db2.gz VPNYGBFYDHLYJM-VXGBXAGGSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000915828951 613066924 /nfs/dbraw/zinc/06/69/24/613066924.db2.gz ORRLYLNFKIMULY-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000915828951 613066926 /nfs/dbraw/zinc/06/69/26/613066926.db2.gz ORRLYLNFKIMULY-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCC(CNC(C)=O)CC1)C(=O)OC ZINC000877583413 613070830 /nfs/dbraw/zinc/07/08/30/613070830.db2.gz QNRZAHDYFQJVRJ-RUXDESIVSA-N 1 2 280.368 0.836 20 30 CCEDLO C#CC[C@H]1NC(=O)N([C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000927559767 613076125 /nfs/dbraw/zinc/07/61/25/613076125.db2.gz HKHMVLBDECGVNU-NWDGAFQWSA-N 1 2 284.319 0.604 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000854076800 613082887 /nfs/dbraw/zinc/08/28/87/613082887.db2.gz ZHBNKUQYOYSSPO-OLZOCXBDSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cnc(C(=O)OC)cn1)[C@H]1CCCO1 ZINC000859258455 613099860 /nfs/dbraw/zinc/09/98/60/613099860.db2.gz OIWXJRLSLZVMSQ-DGCLKSJQSA-N 1 2 275.308 0.534 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC(F)(F)C3)CC2)C1 ZINC000941370955 613114478 /nfs/dbraw/zinc/11/44/78/613114478.db2.gz KHYRFBMKVNMFDE-UHFFFAOYSA-N 1 2 297.349 0.493 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000941363257 613115293 /nfs/dbraw/zinc/11/52/93/613115293.db2.gz QMDLRDJWZYFHBI-ZSHCYNCHSA-N 1 2 287.407 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC000941401276 613115696 /nfs/dbraw/zinc/11/56/96/613115696.db2.gz ZXYIISSZPQFBCT-GFCCVEGCSA-N 1 2 283.322 0.103 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852262236 613116018 /nfs/dbraw/zinc/11/60/18/613116018.db2.gz HWKYFKURPZYAQW-RYUDHWBXSA-N 1 2 251.330 0.124 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000822074390 613146426 /nfs/dbraw/zinc/14/64/26/613146426.db2.gz XHPMCEMKOMKMQP-DCQANWLSSA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000822074390 613146427 /nfs/dbraw/zinc/14/64/27/613146427.db2.gz XHPMCEMKOMKMQP-DCQANWLSSA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cnc(C(=O)OC)cn1)[C@H]1CCCO1 ZINC000859258456 613151118 /nfs/dbraw/zinc/15/11/18/613151118.db2.gz OIWXJRLSLZVMSQ-WCQYABFASA-N 1 2 275.308 0.534 20 30 CCEDLO C#CCN1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981622434 613153087 /nfs/dbraw/zinc/15/30/87/613153087.db2.gz SREGAXAEJQKFFX-UHFFFAOYSA-N 1 2 260.341 0.359 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCO)C2)cc1 ZINC000951117455 613166758 /nfs/dbraw/zinc/16/67/58/613166758.db2.gz SQLOBWJIROCOAV-UHFFFAOYSA-N 1 2 272.348 0.807 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(F)CCC2)C1 ZINC000919875022 613175907 /nfs/dbraw/zinc/17/59/07/613175907.db2.gz MJGJVSYLIBFLPT-GFCCVEGCSA-N 1 2 288.388 0.896 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(F)CCC2)C1 ZINC000919875022 613175908 /nfs/dbraw/zinc/17/59/08/613175908.db2.gz MJGJVSYLIBFLPT-GFCCVEGCSA-N 1 2 288.388 0.896 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cn1 ZINC000804437211 613176450 /nfs/dbraw/zinc/17/64/50/613176450.db2.gz AGKDDXHPJNFWKH-CZUORRHYSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)C2CCSCC2)C1 ZINC000902728754 613180850 /nfs/dbraw/zinc/18/08/50/613180850.db2.gz BBDCBCGLDGGMBG-ZDUSSCGKSA-N 1 2 294.420 0.913 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)C2CCSCC2)C1 ZINC000902728754 613180851 /nfs/dbraw/zinc/18/08/51/613180851.db2.gz BBDCBCGLDGGMBG-ZDUSSCGKSA-N 1 2 294.420 0.913 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)c2cnn(CC)c2)C1 ZINC000902729815 613181054 /nfs/dbraw/zinc/18/10/54/613181054.db2.gz NYLQNADUFAVPLU-ZDUSSCGKSA-N 1 2 288.351 0.300 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)c2cnn(CC)c2)C1 ZINC000902729815 613181056 /nfs/dbraw/zinc/18/10/56/613181056.db2.gz NYLQNADUFAVPLU-ZDUSSCGKSA-N 1 2 288.351 0.300 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000923556743 613190406 /nfs/dbraw/zinc/19/04/06/613190406.db2.gz IDBSUNVRIACNSY-STQMWFEESA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000923556743 613190408 /nfs/dbraw/zinc/19/04/08/613190408.db2.gz IDBSUNVRIACNSY-STQMWFEESA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC000923582134 613190816 /nfs/dbraw/zinc/19/08/16/613190816.db2.gz HQTCQVYFLJZDHP-JTQLQIEISA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC000923582134 613190818 /nfs/dbraw/zinc/19/08/18/613190818.db2.gz HQTCQVYFLJZDHP-JTQLQIEISA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000885514230 613193099 /nfs/dbraw/zinc/19/30/99/613193099.db2.gz UJNZPPSWCXJWNO-KGLIPLIRSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000885514230 613193100 /nfs/dbraw/zinc/19/31/00/613193100.db2.gz UJNZPPSWCXJWNO-KGLIPLIRSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2N)C1 ZINC000885511685 613193273 /nfs/dbraw/zinc/19/32/73/613193273.db2.gz LMIHIMVAEDROED-LBPRGKRZSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2N)C1 ZINC000885511685 613193274 /nfs/dbraw/zinc/19/32/74/613193274.db2.gz LMIHIMVAEDROED-LBPRGKRZSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(C)no1 ZINC000848352679 613194237 /nfs/dbraw/zinc/19/42/37/613194237.db2.gz AKYRJDKGHRGJBY-NSHDSACASA-N 1 2 262.313 0.434 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(C)no1 ZINC000848352679 613194238 /nfs/dbraw/zinc/19/42/38/613194238.db2.gz AKYRJDKGHRGJBY-NSHDSACASA-N 1 2 262.313 0.434 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnc(Cl)cn1 ZINC000910020716 613199769 /nfs/dbraw/zinc/19/97/69/613199769.db2.gz CQVRNICDYBWPCY-NSHDSACASA-N 1 2 278.743 0.844 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnc(Cl)cn1 ZINC000910020716 613199771 /nfs/dbraw/zinc/19/97/71/613199771.db2.gz CQVRNICDYBWPCY-NSHDSACASA-N 1 2 278.743 0.844 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1cccnc1 ZINC000910960639 613201257 /nfs/dbraw/zinc/20/12/57/613201257.db2.gz OFSYTBIWSGFVCT-KBPBESRZSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1cccnc1 ZINC000910960639 613201259 /nfs/dbraw/zinc/20/12/59/613201259.db2.gz OFSYTBIWSGFVCT-KBPBESRZSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[NH+]1CCN(CN2Cc3cc(OC)ccc3C2=O)CC1 ZINC000863254254 613209379 /nfs/dbraw/zinc/20/93/79/613209379.db2.gz BFLPDEXONSVAFB-UHFFFAOYSA-N 1 2 299.374 0.859 20 30 CCEDLO C#CC[NH+]1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000823850302 613209821 /nfs/dbraw/zinc/20/98/21/613209821.db2.gz NKPVKPFOZVUXBD-UHFFFAOYSA-N 1 2 269.312 0.017 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000949288789 613210159 /nfs/dbraw/zinc/21/01/59/613210159.db2.gz BRPGGYPQYWDWEQ-AWEZNQCLSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000949288789 613210161 /nfs/dbraw/zinc/21/01/61/613210161.db2.gz BRPGGYPQYWDWEQ-AWEZNQCLSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)C)CC2)C1 ZINC000949300878 613210329 /nfs/dbraw/zinc/21/03/29/613210329.db2.gz KADFUEBOITYIHA-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)C)CC2)C1 ZINC000949300878 613210331 /nfs/dbraw/zinc/21/03/31/613210331.db2.gz KADFUEBOITYIHA-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc[nH]3)C2)C1 ZINC000972356593 613210531 /nfs/dbraw/zinc/21/05/31/613210531.db2.gz DGIZBLZFLWGATH-RTRPANQVSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc[nH]3)C2)C1 ZINC000972356593 613210532 /nfs/dbraw/zinc/21/05/32/613210532.db2.gz DGIZBLZFLWGATH-RTRPANQVSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972594679 613211873 /nfs/dbraw/zinc/21/18/73/613211873.db2.gz UNKHQRJAAHRXRL-HNNXBMFYSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972594679 613211875 /nfs/dbraw/zinc/21/18/75/613211875.db2.gz UNKHQRJAAHRXRL-HNNXBMFYSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972244384 613213058 /nfs/dbraw/zinc/21/30/58/613213058.db2.gz WNMNAWCXVHXVMG-UKRRQHHQSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972244384 613213061 /nfs/dbraw/zinc/21/30/61/613213061.db2.gz WNMNAWCXVHXVMG-UKRRQHHQSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296789 613213174 /nfs/dbraw/zinc/21/31/74/613213174.db2.gz DBLYABBWSXLACX-TZMCWYRMSA-N 1 2 261.325 0.083 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296789 613213177 /nfs/dbraw/zinc/21/31/77/613213177.db2.gz DBLYABBWSXLACX-TZMCWYRMSA-N 1 2 261.325 0.083 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000798290078 613218708 /nfs/dbraw/zinc/21/87/08/613218708.db2.gz WHAULPDCUICQLZ-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C/C(=C/C(=O)N[C@@H](C#N)C1CC1)C[NH+]1CCOCC1 ZINC000900639484 613238195 /nfs/dbraw/zinc/23/81/95/613238195.db2.gz YDUGONIILPMMIZ-ZWXCPPHNSA-N 1 2 263.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947699517 613243261 /nfs/dbraw/zinc/24/32/61/613243261.db2.gz YUBJNUTVNZXROY-NXEZZACHSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947699517 613243263 /nfs/dbraw/zinc/24/32/63/613243263.db2.gz YUBJNUTVNZXROY-NXEZZACHSA-N 1 2 264.304 0.765 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC000951126374 613295681 /nfs/dbraw/zinc/29/56/81/613295681.db2.gz QJLPGAMZLHIWDH-OLZOCXBDSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)cn2)C1 ZINC000950919804 613296920 /nfs/dbraw/zinc/29/69/20/613296920.db2.gz OHBKJDCMTCNOJK-UHFFFAOYSA-N 1 2 290.367 0.503 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000949438984 613318588 /nfs/dbraw/zinc/31/85/88/613318588.db2.gz MVODVOKNTOUWBO-CQSZACIVSA-N 1 2 265.357 0.233 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC000957104803 613319525 /nfs/dbraw/zinc/31/95/25/613319525.db2.gz JGHXUQGNRBSTCJ-MRXNPFEDSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000949438983 613319573 /nfs/dbraw/zinc/31/95/73/613319573.db2.gz MVODVOKNTOUWBO-AWEZNQCLSA-N 1 2 265.357 0.233 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc(OC)cn2)CC1 ZINC000949217006 613322218 /nfs/dbraw/zinc/32/22/18/613322218.db2.gz PTAWEWCXKCKIET-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000815093005 613324769 /nfs/dbraw/zinc/32/47/69/613324769.db2.gz ZDVVXQIQQWGSSQ-INIZCTEOSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000815093005 613324772 /nfs/dbraw/zinc/32/47/72/613324772.db2.gz ZDVVXQIQQWGSSQ-INIZCTEOSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000823509269 613328009 /nfs/dbraw/zinc/32/80/09/613328009.db2.gz KKJQKHRRLFSJQU-HNNXBMFYSA-N 1 2 280.368 0.790 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000823509269 613328011 /nfs/dbraw/zinc/32/80/11/613328011.db2.gz KKJQKHRRLFSJQU-HNNXBMFYSA-N 1 2 280.368 0.790 20 30 CCEDLO C#CCNC(=O)C[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000844418895 613328060 /nfs/dbraw/zinc/32/80/60/613328060.db2.gz XHVHDZCECRADCY-UHFFFAOYSA-N 1 2 262.357 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000844418895 613328062 /nfs/dbraw/zinc/32/80/62/613328062.db2.gz XHVHDZCECRADCY-UHFFFAOYSA-N 1 2 262.357 0.863 20 30 CCEDLO C=C(C)CNC(=S)N[C@H](C)C[NH+]1CCOCC1 ZINC000916004738 613346856 /nfs/dbraw/zinc/34/68/56/613346856.db2.gz VXBDGNXWZHLLPL-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CONC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000845607241 613352569 /nfs/dbraw/zinc/35/25/69/613352569.db2.gz OMVRTRHYOBTPRP-GFCCVEGCSA-N 1 2 271.361 0.856 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000883068278 613357529 /nfs/dbraw/zinc/35/75/29/613357529.db2.gz ODRDGHJFNOXDGK-LLVKDONJSA-N 1 2 252.318 0.509 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000849961508 613359834 /nfs/dbraw/zinc/35/98/34/613359834.db2.gz KSIOUJOGAHRMLT-JSGCOSHPSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000970278303 613372283 /nfs/dbraw/zinc/37/22/83/613372283.db2.gz VQAYORGEEXCQRE-JQWIXIFHSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)CN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000952401271 613374714 /nfs/dbraw/zinc/37/47/14/613374714.db2.gz HWFJOORLJPKASS-UHFFFAOYSA-N 1 2 268.748 0.849 20 30 CCEDLO C=C(Cl)CN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957895891 613374859 /nfs/dbraw/zinc/37/48/59/613374859.db2.gz WKUQSKCBLKPGLC-UHFFFAOYSA-N 1 2 268.748 0.780 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917907 613412380 /nfs/dbraw/zinc/41/23/80/613412380.db2.gz YRTYHONOAQEXBG-GHMZBOCLSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917907 613412383 /nfs/dbraw/zinc/41/23/83/613412383.db2.gz YRTYHONOAQEXBG-GHMZBOCLSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000905778492 613419343 /nfs/dbraw/zinc/41/93/43/613419343.db2.gz KGKQCAWVLMJNSN-WOPDTQHZSA-N 1 2 257.330 0.745 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)C(=O)OC ZINC000905757664 613419356 /nfs/dbraw/zinc/41/93/56/613419356.db2.gz TXSQGIYBZMIXKR-MCIGGMRASA-N 1 2 268.357 0.999 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941308737 613435092 /nfs/dbraw/zinc/43/50/92/613435092.db2.gz CLGWWJHHTTVJCZ-GFCCVEGCSA-N 1 2 290.367 0.812 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2c3c(nn2C)CCC3)nn1 ZINC000922198612 613435739 /nfs/dbraw/zinc/43/57/39/613435739.db2.gz VJDCQLXKCJZCEF-UHFFFAOYSA-N 1 2 272.356 0.976 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000878810053 613445704 /nfs/dbraw/zinc/44/57/04/613445704.db2.gz RSGJEYOWRWXTIO-GFCCVEGCSA-N 1 2 253.390 0.951 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000878810053 613445705 /nfs/dbraw/zinc/44/57/05/613445705.db2.gz RSGJEYOWRWXTIO-GFCCVEGCSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000898985756 613492484 /nfs/dbraw/zinc/49/24/84/613492484.db2.gz AWXWLQVKXXFOAQ-BXKDBHETSA-N 1 2 264.329 0.453 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898985756 613492488 /nfs/dbraw/zinc/49/24/88/613492488.db2.gz AWXWLQVKXXFOAQ-BXKDBHETSA-N 1 2 264.329 0.453 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)C)CC2)C1 ZINC000941318479 613529167 /nfs/dbraw/zinc/52/91/67/613529167.db2.gz YLLHYWMTILBTIE-UHFFFAOYSA-N 1 2 263.385 0.494 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CSC)CC2)C1 ZINC000941301225 613529665 /nfs/dbraw/zinc/52/96/65/613529665.db2.gz QCCYEIYLJCHYCJ-UHFFFAOYSA-N 1 2 281.425 0.201 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cc(OC)no2)CC1 ZINC000948567275 613562111 /nfs/dbraw/zinc/56/21/11/613562111.db2.gz QFXIBLLXKSQZGI-UHFFFAOYSA-N 1 2 291.351 0.783 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC000948627497 613562406 /nfs/dbraw/zinc/56/24/06/613562406.db2.gz MVROKRUAFYJHQE-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC000957307110 613563119 /nfs/dbraw/zinc/56/31/19/613563119.db2.gz HSIDYKYJOSXUAD-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cn2c(C)csc2=O)CC1 ZINC000957627297 613563962 /nfs/dbraw/zinc/56/39/62/613563962.db2.gz IYCOECXMGPSPKR-UHFFFAOYSA-N 1 2 293.392 0.386 20 30 CCEDLO C=CCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923222840 613569223 /nfs/dbraw/zinc/56/92/23/613569223.db2.gz PRLLDQXOOMGAIV-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972243173 613569987 /nfs/dbraw/zinc/56/99/87/613569987.db2.gz OWFDGZFIMWMTMP-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972243173 613569988 /nfs/dbraw/zinc/56/99/88/613569988.db2.gz OWFDGZFIMWMTMP-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972204449 613570439 /nfs/dbraw/zinc/57/04/39/613570439.db2.gz RCSRVYLWIGRSRH-ZDUSSCGKSA-N 1 2 272.295 0.578 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972204449 613570441 /nfs/dbraw/zinc/57/04/41/613570441.db2.gz RCSRVYLWIGRSRH-ZDUSSCGKSA-N 1 2 272.295 0.578 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972204448 613571239 /nfs/dbraw/zinc/57/12/39/613571239.db2.gz RCSRVYLWIGRSRH-CYBMUJFWSA-N 1 2 272.295 0.578 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972204448 613571240 /nfs/dbraw/zinc/57/12/40/613571240.db2.gz RCSRVYLWIGRSRH-CYBMUJFWSA-N 1 2 272.295 0.578 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909375871 613587848 /nfs/dbraw/zinc/58/78/48/613587848.db2.gz NDBMQVDURDITFQ-QLKUMGTLSA-N 1 2 282.384 0.708 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073653 613590976 /nfs/dbraw/zinc/59/09/76/613590976.db2.gz DHLDPGLAGATOTP-WDEREUQCSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073653 613590977 /nfs/dbraw/zinc/59/09/77/613590977.db2.gz DHLDPGLAGATOTP-WDEREUQCSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)nn1 ZINC000883402238 613599204 /nfs/dbraw/zinc/59/92/04/613599204.db2.gz LPUAOTUMTPAGRY-CYBMUJFWSA-N 1 2 289.383 0.955 20 30 CCEDLO C=CC[NH+]1CCC(Nc2nccc(S(C)(=O)=O)n2)CC1 ZINC000911878194 613675819 /nfs/dbraw/zinc/67/58/19/613675819.db2.gz DWLVXKMFBDWGHR-UHFFFAOYSA-N 1 2 296.396 0.942 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC000957678461 613707842 /nfs/dbraw/zinc/70/78/42/613707842.db2.gz SGBDGGAHOVPNEK-UHFFFAOYSA-N 1 2 265.357 0.329 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cn(C)nc2Cl)CC1 ZINC000950485387 613709957 /nfs/dbraw/zinc/70/99/57/613709957.db2.gz CGXNRBLURXHECZ-UHFFFAOYSA-N 1 2 282.775 0.946 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000949025348 613710714 /nfs/dbraw/zinc/71/07/14/613710714.db2.gz FHFKHGBFLGTNRU-RYUDHWBXSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000957751902 613711899 /nfs/dbraw/zinc/71/18/99/613711899.db2.gz ACTQMMFKCUBRFY-CYBMUJFWSA-N 1 2 289.383 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N[C@H](CC)C2)CC1 ZINC000949442718 613712874 /nfs/dbraw/zinc/71/28/74/613712874.db2.gz GHNPMNWLSYZPAP-CHWSQXEVSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1 ZINC000949357452 613713612 /nfs/dbraw/zinc/71/36/12/613713612.db2.gz CFNRBOMXQQJJGZ-ZDUSSCGKSA-N 1 2 289.383 0.561 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000948915310 613716814 /nfs/dbraw/zinc/71/68/14/613716814.db2.gz NVWIYEANUUVKGY-UHFFFAOYSA-N 1 2 273.336 0.729 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000972539302 613724178 /nfs/dbraw/zinc/72/41/78/613724178.db2.gz DDVQWWITYBOVBV-AWEZNQCLSA-N 1 2 294.330 0.652 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000972539302 613724179 /nfs/dbraw/zinc/72/41/79/613724179.db2.gz DDVQWWITYBOVBV-AWEZNQCLSA-N 1 2 294.330 0.652 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1 ZINC000972281392 613726056 /nfs/dbraw/zinc/72/60/56/613726056.db2.gz HJTWPRSLVVDICG-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1 ZINC000972281392 613726057 /nfs/dbraw/zinc/72/60/57/613726057.db2.gz HJTWPRSLVVDICG-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 ZINC000972281392 613726058 /nfs/dbraw/zinc/72/60/58/613726058.db2.gz HJTWPRSLVVDICG-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 ZINC000972281392 613726059 /nfs/dbraw/zinc/72/60/59/613726059.db2.gz HJTWPRSLVVDICG-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC000879940628 613778550 /nfs/dbraw/zinc/77/85/50/613778550.db2.gz ONZLYXWGGNNDSB-XQQFMLRXSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC000879940628 613778551 /nfs/dbraw/zinc/77/85/51/613778551.db2.gz ONZLYXWGGNNDSB-XQQFMLRXSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1=O ZINC000830075099 613778939 /nfs/dbraw/zinc/77/89/39/613778939.db2.gz VGLRBRNXVBAPAW-ZNMIVQPWSA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)C1=O ZINC000830075099 613778941 /nfs/dbraw/zinc/77/89/41/613778941.db2.gz VGLRBRNXVBAPAW-ZNMIVQPWSA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCNC(=O)Cc1noc([C@]2(COC)CCCC[NH2+]2)n1 ZINC000872180484 613848963 /nfs/dbraw/zinc/84/89/63/613848963.db2.gz SLPWNINITMWLMB-CQSZACIVSA-N 1 2 294.355 0.530 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931453219 613849695 /nfs/dbraw/zinc/84/96/95/613849695.db2.gz CWKHPWOIPAWPDJ-UHFFFAOYSA-N 1 2 292.339 0.866 20 30 CCEDLO C=CCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849289833 613856479 /nfs/dbraw/zinc/85/64/79/613856479.db2.gz PVNRCINRQYUALR-NSHDSACASA-N 1 2 255.387 0.453 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CC(C)C ZINC000884313723 613878607 /nfs/dbraw/zinc/87/86/07/613878607.db2.gz NCURLMYOVUHWJA-QWRGUYRKSA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C(C)C)C1CC1 ZINC000884086640 613877320 /nfs/dbraw/zinc/87/73/20/613877320.db2.gz DFIKOHQDJJIDII-NSHDSACASA-N 1 2 254.330 0.832 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000884075108 613877348 /nfs/dbraw/zinc/87/73/48/613877348.db2.gz MNZCOIWHMLLRJE-YPMHNXCESA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CC1(C)C ZINC000884421170 613877386 /nfs/dbraw/zinc/87/73/86/613877386.db2.gz NLISGZSHUZGYMC-MNOVXSKESA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(COC)CC1 ZINC000884321122 613877464 /nfs/dbraw/zinc/87/74/64/613877464.db2.gz GZQJIAXJOWDDPK-LBPRGKRZSA-N 1 2 298.383 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@H]1C ZINC000884151570 613877889 /nfs/dbraw/zinc/87/78/89/613877889.db2.gz PQOBYCHDJUKZKL-AXFHLTTASA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cscn1 ZINC000884184350 613878115 /nfs/dbraw/zinc/87/81/15/613878115.db2.gz NFUZOFHUGDHNKY-JTQLQIEISA-N 1 2 283.353 0.248 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC(F)(F)F ZINC000884069995 613878219 /nfs/dbraw/zinc/87/82/19/613878219.db2.gz VPIXKLXDFICBAB-ZETCQYMHSA-N 1 2 268.235 0.502 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)nc1 ZINC000884066445 613878314 /nfs/dbraw/zinc/87/83/14/613878314.db2.gz XSEGGHUXKPZTSV-JTQLQIEISA-N 1 2 297.742 0.798 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CSC ZINC000884147778 613878673 /nfs/dbraw/zinc/87/86/73/613878673.db2.gz TUQTZSJMATXVMS-BDAKNGLRSA-N 1 2 260.359 0.301 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cn(C)nc1C ZINC000884098092 613878706 /nfs/dbraw/zinc/87/87/06/613878706.db2.gz ZGYRRIOYTPBYSC-SKDRFNHKSA-N 1 2 294.355 0.352 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000812193680 613885164 /nfs/dbraw/zinc/88/51/64/613885164.db2.gz PVKKPQMQCYMRJH-UHFFFAOYSA-N 1 2 298.368 0.009 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000902948989 613886001 /nfs/dbraw/zinc/88/60/01/613886001.db2.gz ZYFKPFGKEWRAJB-LLVKDONJSA-N 1 2 286.401 0.940 20 30 CCEDLO CC(C)OC(=O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000886724055 613985539 /nfs/dbraw/zinc/98/55/39/613985539.db2.gz VJNARQBBSUJTAC-UHFFFAOYSA-N 1 2 267.329 0.290 20 30 CCEDLO CC(C)CNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137643876 614136913 /nfs/dbraw/zinc/13/69/13/614136913.db2.gz SCNLPQUYDWBJBT-UHFFFAOYSA-N 1 2 264.329 0.685 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900481450 614186780 /nfs/dbraw/zinc/18/67/80/614186780.db2.gz ZAZYWIWCXNTXFI-ZDUSSCGKSA-N 1 2 275.356 0.645 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934028253 614286519 /nfs/dbraw/zinc/28/65/19/614286519.db2.gz ARNHOPKTAPZFFZ-WZRBSPASSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CO ZINC000934028253 614286520 /nfs/dbraw/zinc/28/65/20/614286520.db2.gz ARNHOPKTAPZFFZ-WZRBSPASSA-N 1 2 253.346 0.496 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)NC1CCC(C)CC1 ZINC000121420923 614423523 /nfs/dbraw/zinc/42/35/23/614423523.db2.gz JXHKIVLTRXENQQ-YVNMAJEFSA-N 1 2 271.361 0.741 20 30 CCEDLO CCCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000967943881 614502601 /nfs/dbraw/zinc/50/26/01/614502601.db2.gz MFIXOJYIZUMQHJ-GHMZBOCLSA-N 1 2 291.355 0.872 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933902041 615064296 /nfs/dbraw/zinc/06/42/96/615064296.db2.gz GPDNMZSFJHEIQL-OLZOCXBDSA-N 1 2 295.383 0.832 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933902041 615064297 /nfs/dbraw/zinc/06/42/97/615064297.db2.gz GPDNMZSFJHEIQL-OLZOCXBDSA-N 1 2 295.383 0.832 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000879430238 615395753 /nfs/dbraw/zinc/39/57/53/615395753.db2.gz GYASSYIUPIPURY-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000879430238 615395756 /nfs/dbraw/zinc/39/57/56/615395756.db2.gz GYASSYIUPIPURY-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000874706618 615569160 /nfs/dbraw/zinc/56/91/60/615569160.db2.gz UDQPCZPMJLFWBE-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000874706618 615569161 /nfs/dbraw/zinc/56/91/61/615569161.db2.gz UDQPCZPMJLFWBE-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@](C)(C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865078187 615587991 /nfs/dbraw/zinc/58/79/91/615587991.db2.gz NXFUTTBTRWCYBH-ZFDPJTLLSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@H](CC#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867420553 615704665 /nfs/dbraw/zinc/70/46/65/615704665.db2.gz UMOIBFIJLMQAIM-VSQXVHSFSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCC1 ZINC000928638025 615714482 /nfs/dbraw/zinc/71/44/82/615714482.db2.gz AOHSHQNLOZSYLO-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000913522626 615857866 /nfs/dbraw/zinc/85/78/66/615857866.db2.gz QZGJIHOWXBRMBU-UHFFFAOYSA-N 1 2 286.397 0.023 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000871759975 615927609 /nfs/dbraw/zinc/92/76/09/615927609.db2.gz BDTUNLATUYAAPJ-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000871759975 615927611 /nfs/dbraw/zinc/92/76/11/615927611.db2.gz BDTUNLATUYAAPJ-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876799674 616011954 /nfs/dbraw/zinc/01/19/54/616011954.db2.gz JCKQCPWVNPWLBV-CQSZACIVSA-N 1 2 299.378 0.834 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876799674 616011957 /nfs/dbraw/zinc/01/19/57/616011957.db2.gz JCKQCPWVNPWLBV-CQSZACIVSA-N 1 2 299.378 0.834 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433675 616040114 /nfs/dbraw/zinc/04/01/14/616040114.db2.gz SLVBTXXQXASEJE-LLVKDONJSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820094 616041365 /nfs/dbraw/zinc/04/13/65/616041365.db2.gz BITZYWOSXOAQOA-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810118872 616166053 /nfs/dbraw/zinc/16/60/53/616166053.db2.gz GQVPPDXWUNCHEF-ZETCQYMHSA-N 1 2 267.226 0.991 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccccc2C#N)[C@H](CO)C1 ZINC000912750067 616223938 /nfs/dbraw/zinc/22/39/38/616223938.db2.gz SBFFUFLSPJWHNE-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccccc2C#N)[C@H](CO)C1 ZINC000912750067 616223939 /nfs/dbraw/zinc/22/39/39/616223939.db2.gz SBFFUFLSPJWHNE-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H](CO)C1 ZINC000912736762 616229548 /nfs/dbraw/zinc/22/95/48/616229548.db2.gz BTXDFJDJQDXRRQ-NSHDSACASA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H](CO)C1 ZINC000912736762 616229549 /nfs/dbraw/zinc/22/95/49/616229549.db2.gz BTXDFJDJQDXRRQ-NSHDSACASA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2F)C[C@@H]1CO ZINC000894883919 616247716 /nfs/dbraw/zinc/24/77/16/616247716.db2.gz BWGLGDBQBZWXBF-SNVBAGLBSA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2F)C[C@@H]1CO ZINC000894883919 616247717 /nfs/dbraw/zinc/24/77/17/616247717.db2.gz BWGLGDBQBZWXBF-SNVBAGLBSA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nc3cc(C#N)ccc3[nH]2)C1 ZINC000871071755 616260496 /nfs/dbraw/zinc/26/04/96/616260496.db2.gz DPGMMCLJKOXILO-LBPRGKRZSA-N 1 2 285.307 0.704 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nc3cc(C#N)ccc3[nH]2)C1 ZINC000871071755 616260497 /nfs/dbraw/zinc/26/04/97/616260497.db2.gz DPGMMCLJKOXILO-LBPRGKRZSA-N 1 2 285.307 0.704 20 30 CCEDLO COC(=O)/C=C(/C)C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000930640852 616307392 /nfs/dbraw/zinc/30/73/92/616307392.db2.gz XQFIRDPZYXLPCX-FLIBITNWSA-N 1 2 280.324 0.884 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCN2CCOC2=O)CC1 ZINC000878678691 616345302 /nfs/dbraw/zinc/34/53/02/616345302.db2.gz YDBFVRCRQHBBGN-UHFFFAOYSA-N 1 2 281.312 0.217 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845441867 616492059 /nfs/dbraw/zinc/49/20/59/616492059.db2.gz VJZQPFNDHDMTBP-MNOVXSKESA-N 1 2 278.312 0.306 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845441865 616496052 /nfs/dbraw/zinc/49/60/52/616496052.db2.gz VJZQPFNDHDMTBP-GHMZBOCLSA-N 1 2 278.312 0.306 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC000855033394 616543063 /nfs/dbraw/zinc/54/30/63/616543063.db2.gz LJFSHSZVSBVZTJ-UHFFFAOYSA-N 1 2 282.384 0.453 20 30 CCEDLO COC(=O)[C@](C)(CO)[NH2+]CC1CCC(C#N)CC1 ZINC000930692598 616747269 /nfs/dbraw/zinc/74/72/69/616747269.db2.gz MJYLQJLKFKHCDN-XIVSLSHWSA-N 1 2 254.330 0.830 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000886868057 616929040 /nfs/dbraw/zinc/92/90/40/616929040.db2.gz URBZKINFQNDLFO-FZMZJTMJSA-N 1 2 296.371 0.471 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000886868057 616929045 /nfs/dbraw/zinc/92/90/45/616929045.db2.gz URBZKINFQNDLFO-FZMZJTMJSA-N 1 2 296.371 0.471 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2cncc(C#N)c2)nn1 ZINC000905839323 616968581 /nfs/dbraw/zinc/96/85/81/616968581.db2.gz WBLUXFWVVNFTFJ-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2cncc(C#N)c2)nn1 ZINC000905839323 616968586 /nfs/dbraw/zinc/96/85/86/616968586.db2.gz WBLUXFWVVNFTFJ-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972505635 622893943 /nfs/dbraw/zinc/89/39/43/622893943.db2.gz DQOUGOJCFXAOQD-YDHLFZDLSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972505635 622893945 /nfs/dbraw/zinc/89/39/45/622893945.db2.gz DQOUGOJCFXAOQD-YDHLFZDLSA-N 1 2 262.353 0.579 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001020537423 624505175 /nfs/dbraw/zinc/50/51/75/624505175.db2.gz UCKCIRXYBZKVPX-VWYCJHECSA-N 1 2 289.339 0.217 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(=O)[C@H](C)C2)C1 ZINC000924038373 624505407 /nfs/dbraw/zinc/50/54/07/624505407.db2.gz RSMMRQUNYNPTCJ-CHWSQXEVSA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(=O)[C@H](C)C2)C1 ZINC000924038373 624505409 /nfs/dbraw/zinc/50/54/09/624505409.db2.gz RSMMRQUNYNPTCJ-CHWSQXEVSA-N 1 2 277.368 0.705 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1N ZINC001027836277 630961936 /nfs/dbraw/zinc/96/19/36/630961936.db2.gz IPDZIXFQQMJWNG-SNVBAGLBSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1N ZINC001027836277 630961941 /nfs/dbraw/zinc/96/19/41/630961941.db2.gz IPDZIXFQQMJWNG-SNVBAGLBSA-N 1 2 297.790 0.949 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000980847761 631067628 /nfs/dbraw/zinc/06/76/28/631067628.db2.gz ISVFGSPHPRXXMC-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000980847761 631067637 /nfs/dbraw/zinc/06/76/37/631067637.db2.gz ISVFGSPHPRXXMC-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981352761 631271973 /nfs/dbraw/zinc/27/19/73/631271973.db2.gz FEZREUNVXQTVFU-MNOVXSKESA-N 1 2 261.329 0.493 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](NCC#N)C1 ZINC000981488203 631283284 /nfs/dbraw/zinc/28/32/84/631283284.db2.gz VABNMAIJWKKGJR-RYUDHWBXSA-N 1 2 275.356 0.801 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000036231457 631406778 /nfs/dbraw/zinc/40/67/78/631406778.db2.gz PGLUVXJCSQSCDK-HNNXBMFYSA-N 1 2 275.352 0.202 20 30 CCEDLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1C#N ZINC000096617980 631441951 /nfs/dbraw/zinc/44/19/51/631441951.db2.gz XHNQKXFSBHYNMH-UHFFFAOYSA-N 1 2 273.336 0.617 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000967944981 650005939 /nfs/dbraw/zinc/00/59/39/650005939.db2.gz UCZDXOHKISNIMF-JGVFFNPUSA-N 1 2 299.281 0.857 20 30 CCEDLO C[C@H](Nc1ccncc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247677 632036703 /nfs/dbraw/zinc/03/67/03/632036703.db2.gz VOLRYDZOBPFSTM-FZMZJTMJSA-N 1 2 259.357 0.421 20 30 CCEDLO C[C@H](Nc1ccncc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247677 632036707 /nfs/dbraw/zinc/03/67/07/632036707.db2.gz VOLRYDZOBPFSTM-FZMZJTMJSA-N 1 2 259.357 0.421 20 30 CCEDLO N#Cc1cnc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)s1 ZINC000896494942 632258102 /nfs/dbraw/zinc/25/81/02/632258102.db2.gz OXVWQKVINCBKKP-VIFPVBQESA-N 1 2 278.337 0.674 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007423144 650078107 /nfs/dbraw/zinc/07/81/07/650078107.db2.gz HHFFYALGAXVJJW-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007423144 650078108 /nfs/dbraw/zinc/07/81/08/650078108.db2.gz HHFFYALGAXVJJW-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO N#CC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(F)(F)F ZINC000928802896 632601957 /nfs/dbraw/zinc/60/19/57/632601957.db2.gz LNVREJOCHJCKEV-TXXBHVLJSA-N 1 2 291.273 0.836 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986358353 632746467 /nfs/dbraw/zinc/74/64/67/632746467.db2.gz ZJROOXASHPCBQA-CMPLNLGQSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986358353 632746470 /nfs/dbraw/zinc/74/64/70/632746470.db2.gz ZJROOXASHPCBQA-CMPLNLGQSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000988771855 633106850 /nfs/dbraw/zinc/10/68/50/633106850.db2.gz FKNREOXKWMFJGY-TUAOUCFPSA-N 1 2 289.339 0.148 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC3(COC3)O2)nn1 ZINC000900603373 634052666 /nfs/dbraw/zinc/05/26/66/634052666.db2.gz HHEBTSSWIHKZFD-ZDUSSCGKSA-N 1 2 276.340 0.339 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001009129979 650137944 /nfs/dbraw/zinc/13/79/44/650137944.db2.gz HWWWBYAZHOXOFP-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001009129979 650137948 /nfs/dbraw/zinc/13/79/48/650137948.db2.gz HWWWBYAZHOXOFP-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001009997686 650177291 /nfs/dbraw/zinc/17/72/91/650177291.db2.gz PHOQRMQCOMKTOI-SNVBAGLBSA-N 1 2 272.732 0.818 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001009997686 650177293 /nfs/dbraw/zinc/17/72/93/650177293.db2.gz PHOQRMQCOMKTOI-SNVBAGLBSA-N 1 2 272.732 0.818 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010304956 650198798 /nfs/dbraw/zinc/19/87/98/650198798.db2.gz VMJPRJBRDIENTD-SNVBAGLBSA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010304956 650198800 /nfs/dbraw/zinc/19/88/00/650198800.db2.gz VMJPRJBRDIENTD-SNVBAGLBSA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001010789172 650260946 /nfs/dbraw/zinc/26/09/46/650260946.db2.gz MIEAWJXKZNZLJD-NSHDSACASA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001010789172 650260947 /nfs/dbraw/zinc/26/09/47/650260947.db2.gz MIEAWJXKZNZLJD-NSHDSACASA-N 1 2 282.775 0.906 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913542653 636840637 /nfs/dbraw/zinc/84/06/37/636840637.db2.gz OKGBBIUHWQEQAX-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913542653 636840638 /nfs/dbraw/zinc/84/06/38/636840638.db2.gz OKGBBIUHWQEQAX-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992520277 637461544 /nfs/dbraw/zinc/46/15/44/637461544.db2.gz FVXBWMSGIFCKKX-JSGCOSHPSA-N 1 2 273.340 0.520 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CC(C)(C)C#N ZINC000913927146 637471113 /nfs/dbraw/zinc/47/11/13/637471113.db2.gz VZKXNEJSHKYYLH-SNVBAGLBSA-N 1 2 270.358 0.741 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503639 637677844 /nfs/dbraw/zinc/67/78/44/637677844.db2.gz LAURFOPPNPREHP-UWVGGRQHSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503639 637677847 /nfs/dbraw/zinc/67/78/47/637677847.db2.gz LAURFOPPNPREHP-UWVGGRQHSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)[C@@H]1C ZINC000993388496 637799063 /nfs/dbraw/zinc/79/90/63/637799063.db2.gz DTVFKGNFVPMMPX-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)[C@@H]1C ZINC000993388496 637799068 /nfs/dbraw/zinc/79/90/68/637799068.db2.gz DTVFKGNFVPMMPX-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(C(=O)C#CC2CC2)C1 ZINC000997237148 638860497 /nfs/dbraw/zinc/86/04/97/638860497.db2.gz WLSYCCWLFQWHIW-UHFFFAOYSA-N 1 2 286.335 0.001 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999534950 638984838 /nfs/dbraw/zinc/98/48/38/638984838.db2.gz IGQKRFCRPQSTLA-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](NCC#N)C1 ZINC000999775162 638996028 /nfs/dbraw/zinc/99/60/28/638996028.db2.gz JZGMZFQSGWWSST-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnnn2C)CC1 ZINC001000643283 639146344 /nfs/dbraw/zinc/14/63/44/639146344.db2.gz LACWMZAKXJJURB-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnnn2C)CC1 ZINC001000643283 639146346 /nfs/dbraw/zinc/14/63/46/639146346.db2.gz LACWMZAKXJJURB-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCN(CC#N)C1)C2 ZINC001015012703 650514404 /nfs/dbraw/zinc/51/44/04/650514404.db2.gz FHWMDOYEMGRUHW-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCN(CC#N)C1)CC2 ZINC001015012703 650514406 /nfs/dbraw/zinc/51/44/06/650514406.db2.gz FHWMDOYEMGRUHW-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000922515141 639714889 /nfs/dbraw/zinc/71/48/89/639714889.db2.gz YGOASTQSPWISFA-RYUDHWBXSA-N 1 2 290.371 0.548 20 30 CCEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnon2)CC1 ZINC001004573746 639826183 /nfs/dbraw/zinc/82/61/83/639826183.db2.gz ADTHAYICIZKTGK-CYBMUJFWSA-N 1 2 289.339 0.910 20 30 CCEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnon2)CC1 ZINC001004573746 639826187 /nfs/dbraw/zinc/82/61/87/639826187.db2.gz ADTHAYICIZKTGK-CYBMUJFWSA-N 1 2 289.339 0.910 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015162405 650534370 /nfs/dbraw/zinc/53/43/70/650534370.db2.gz RYEQVFGLZNOSFF-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015162405 650534372 /nfs/dbraw/zinc/53/43/72/650534372.db2.gz RYEQVFGLZNOSFF-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2[nH]ncc2F)CC1 ZINC001016813936 640219428 /nfs/dbraw/zinc/21/94/28/640219428.db2.gz FXXDLCGUEDKIFN-NSHDSACASA-N 1 2 276.315 0.766 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001015493232 650573477 /nfs/dbraw/zinc/57/34/77/650573477.db2.gz NSNNVYFGQPYGOK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001015493232 650573480 /nfs/dbraw/zinc/57/34/80/650573480.db2.gz NSNNVYFGQPYGOK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921488 640674869 /nfs/dbraw/zinc/67/48/69/640674869.db2.gz FBHYXPBUQQPLSP-GHMZBOCLSA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921488 640674871 /nfs/dbraw/zinc/67/48/71/640674871.db2.gz FBHYXPBUQQPLSP-GHMZBOCLSA-N 1 2 274.386 0.813 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713467 650614615 /nfs/dbraw/zinc/61/46/15/650614615.db2.gz OVHDFZWXLFPADQ-SECBINFHSA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713467 650614616 /nfs/dbraw/zinc/61/46/16/650614616.db2.gz OVHDFZWXLFPADQ-SECBINFHSA-N 1 2 296.758 0.670 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001015783832 650629158 /nfs/dbraw/zinc/62/91/58/650629158.db2.gz VZQVDQRWZBWIDJ-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001015783832 650629160 /nfs/dbraw/zinc/62/91/60/650629160.db2.gz VZQVDQRWZBWIDJ-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C[C@@H](O)CNN=Cc1ccc(C=[NH+]NC[C@@H](C)O)cc1 ZINC000814962726 641085944 /nfs/dbraw/zinc/08/59/44/641085944.db2.gz SGFGCGFOJNHIIG-VXGBXAGGSA-N 1 2 278.356 0.295 20 30 CCEDLO Cn1nncc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000814979802 641087105 /nfs/dbraw/zinc/08/71/05/641087105.db2.gz RWWLYNSQOOPLKT-UHFFFAOYSA-N 1 2 272.316 0.651 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015981915 650668357 /nfs/dbraw/zinc/66/83/57/650668357.db2.gz GHZDKTYJJJBFGO-GFCCVEGCSA-N 1 2 296.334 0.595 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000121360663 641991760 /nfs/dbraw/zinc/99/17/60/641991760.db2.gz MDNORJQXFQRMOT-VXGBXAGGSA-N 1 2 283.372 0.839 20 30 CCEDLO N#CCN1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016899692 650770355 /nfs/dbraw/zinc/77/03/55/650770355.db2.gz XHEOPTKOJOLPHO-LLVKDONJSA-N 1 2 273.340 0.446 20 30 CCEDLO N#Cc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000834732475 642624933 /nfs/dbraw/zinc/62/49/33/642624933.db2.gz DKLDFOBAEOAELG-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO NC(=O)CNC(=S)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834957615 642644445 /nfs/dbraw/zinc/64/44/45/642644445.db2.gz MIQPRHIQDDNUMF-UHFFFAOYSA-N 1 2 291.380 0.259 20 30 CCEDLO O=C(C#CC1CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000837359484 642740723 /nfs/dbraw/zinc/74/07/23/642740723.db2.gz DLEWBKDQMWGTGI-OAHLLOKOSA-N 1 2 294.420 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccon1 ZINC001017429539 650801779 /nfs/dbraw/zinc/80/17/79/650801779.db2.gz UJQLGXYWAUNUGI-BETUJISGSA-N 1 2 259.309 0.526 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccon1 ZINC001017429539 650801780 /nfs/dbraw/zinc/80/17/80/650801780.db2.gz UJQLGXYWAUNUGI-BETUJISGSA-N 1 2 259.309 0.526 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001017453315 650803147 /nfs/dbraw/zinc/80/31/47/650803147.db2.gz BNDUEMRJUULXNJ-TXEJJXNPSA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001017453315 650803149 /nfs/dbraw/zinc/80/31/49/650803149.db2.gz BNDUEMRJUULXNJ-TXEJJXNPSA-N 1 2 275.356 0.599 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cncn1 ZINC001017490855 650805629 /nfs/dbraw/zinc/80/56/29/650805629.db2.gz LJTKPOIHIWTCPK-UPJWGTAASA-N 1 2 273.340 0.148 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cncn1 ZINC001017490855 650805630 /nfs/dbraw/zinc/80/56/30/650805630.db2.gz LJTKPOIHIWTCPK-UPJWGTAASA-N 1 2 273.340 0.148 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccnn1C ZINC001017560224 650810689 /nfs/dbraw/zinc/81/06/89/650810689.db2.gz CQZAJGAKJUUAQF-MCIONIFRSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccnn1C ZINC001017560224 650810691 /nfs/dbraw/zinc/81/06/91/650810691.db2.gz CQZAJGAKJUUAQF-MCIONIFRSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001017672316 650817287 /nfs/dbraw/zinc/81/72/87/650817287.db2.gz ITSJPDPCIWLTPV-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001017672316 650817289 /nfs/dbraw/zinc/81/72/89/650817289.db2.gz ITSJPDPCIWLTPV-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(Cl)n1C ZINC001017734384 650820050 /nfs/dbraw/zinc/82/00/50/650820050.db2.gz QOQLKMJTTHJISE-PHIMTYICSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(Cl)n1C ZINC001017734384 650820052 /nfs/dbraw/zinc/82/00/52/650820052.db2.gz QOQLKMJTTHJISE-PHIMTYICSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001017772120 650821439 /nfs/dbraw/zinc/82/14/39/650821439.db2.gz JYCCTWHMJCUGRM-KBXIAJHMSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001017772120 650821440 /nfs/dbraw/zinc/82/14/40/650821440.db2.gz JYCCTWHMJCUGRM-KBXIAJHMSA-N 1 2 292.379 0.346 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001017792251 650823270 /nfs/dbraw/zinc/82/32/70/650823270.db2.gz LNTCJOUWCQNLLO-XJFOESAGSA-N 1 2 289.379 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001017792251 650823272 /nfs/dbraw/zinc/82/32/72/650823272.db2.gz LNTCJOUWCQNLLO-XJFOESAGSA-N 1 2 289.379 0.196 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000846958361 643474762 /nfs/dbraw/zinc/47/47/62/643474762.db2.gz ZUFPOOOJJNDXGM-AWEZNQCLSA-N 1 2 291.326 0.917 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2ncccn2n1 ZINC001018080181 650842450 /nfs/dbraw/zinc/84/24/50/650842450.db2.gz WQZRRQCWIQCUKP-TXEJJXNPSA-N 1 2 298.350 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2ncccn2n1 ZINC001018080181 650842453 /nfs/dbraw/zinc/84/24/53/650842453.db2.gz WQZRRQCWIQCUKP-TXEJJXNPSA-N 1 2 298.350 0.599 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)n1 ZINC001018324086 650853578 /nfs/dbraw/zinc/85/35/78/650853578.db2.gz QXXNHNLWQSNBGN-TXEJJXNPSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)n1 ZINC001018324086 650853580 /nfs/dbraw/zinc/85/35/80/650853580.db2.gz QXXNHNLWQSNBGN-TXEJJXNPSA-N 1 2 298.346 0.103 20 30 CCEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC2(CO)COC2)C1 ZINC000852329590 643955031 /nfs/dbraw/zinc/95/50/31/643955031.db2.gz DYHDJMRWZMIZNR-MRXNPFEDSA-N 1 2 287.363 0.948 20 30 CCEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CC2(CO)COC2)C1 ZINC000852329590 643955034 /nfs/dbraw/zinc/95/50/34/643955034.db2.gz DYHDJMRWZMIZNR-MRXNPFEDSA-N 1 2 287.363 0.948 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O ZINC000854649272 644243090 /nfs/dbraw/zinc/24/30/90/644243090.db2.gz UCLAMGUJUXLZIW-BBBLOLIVSA-N 1 2 278.312 0.020 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854730407 644254250 /nfs/dbraw/zinc/25/42/50/644254250.db2.gz KKAUXTJELPGRQG-CQSZACIVSA-N 1 2 262.353 0.723 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001019189462 650945520 /nfs/dbraw/zinc/94/55/20/650945520.db2.gz MHJMQGADVGDBBK-UONOGXRCSA-N 1 2 294.399 0.201 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001019189462 650945523 /nfs/dbraw/zinc/94/55/23/650945523.db2.gz MHJMQGADVGDBBK-UONOGXRCSA-N 1 2 294.399 0.201 20 30 CCEDLO O=C1CN=C(N[NH+]=Cc2ccc(N3CCCC3)nc2)N1 ZINC000863175670 645066480 /nfs/dbraw/zinc/06/64/80/645066480.db2.gz NWBVVVDORPYOOG-UHFFFAOYSA-N 1 2 272.312 0.091 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878323169 646892983 /nfs/dbraw/zinc/89/29/83/646892983.db2.gz XJDUDRWOUKRVNT-CQSZACIVSA-N 1 2 298.350 0.698 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878323169 646892987 /nfs/dbraw/zinc/89/29/87/646892987.db2.gz XJDUDRWOUKRVNT-CQSZACIVSA-N 1 2 298.350 0.698 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878673240 646955865 /nfs/dbraw/zinc/95/58/65/646955865.db2.gz XLHINJYSCVWMCB-CYBMUJFWSA-N 1 2 295.383 0.100 20 30 CCEDLO Cn1cc(C2=CCC[N@H+](CC(=O)NCCC#N)C2)cn1 ZINC000878903841 646996001 /nfs/dbraw/zinc/99/60/01/646996001.db2.gz RJTBMGNTJUULSO-UHFFFAOYSA-N 1 2 273.340 0.539 20 30 CCEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)NCCC#N)C2)cn1 ZINC000878903841 646996005 /nfs/dbraw/zinc/99/60/05/646996005.db2.gz RJTBMGNTJUULSO-UHFFFAOYSA-N 1 2 273.340 0.539 20 30 CCEDLO N#CCc1ccc(C[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400193 647193368 /nfs/dbraw/zinc/19/33/68/647193368.db2.gz DUUFUBCLIFRIQK-UHFFFAOYSA-N 1 2 285.347 0.844 20 30 CCEDLO N#CCc1ccc(C[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400193 647193381 /nfs/dbraw/zinc/19/33/81/647193381.db2.gz DUUFUBCLIFRIQK-UHFFFAOYSA-N 1 2 285.347 0.844 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)OCCCC)nn1 ZINC000881010791 647276944 /nfs/dbraw/zinc/27/69/44/647276944.db2.gz NBEVCJCEPPQALC-UHFFFAOYSA-N 1 2 264.329 0.734 20 30 CCEDLO N#CCc1cccc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000881149757 647285191 /nfs/dbraw/zinc/28/51/91/647285191.db2.gz ARURGJRDNFZQFJ-UHFFFAOYSA-N 1 2 289.339 0.289 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCC2OCCO2)nn1 ZINC000881194202 647288028 /nfs/dbraw/zinc/28/80/28/647288028.db2.gz HIEVRYFKMKIFJW-UHFFFAOYSA-N 1 2 250.302 0.154 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884250255 647681261 /nfs/dbraw/zinc/68/12/61/647681261.db2.gz AKNBZKOXUFIRMT-NRMKKVEVSA-N 1 2 273.340 0.303 20 30 CCEDLO C#CC[C@@H]1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000884594981 647766977 /nfs/dbraw/zinc/76/69/77/647766977.db2.gz WQTGAMXNTXOKLD-CYBMUJFWSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CC[C@@H]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884594981 647766979 /nfs/dbraw/zinc/76/69/79/647766979.db2.gz WQTGAMXNTXOKLD-CYBMUJFWSA-N 1 2 299.378 0.605 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)CCC1 ZINC000886033456 647894572 /nfs/dbraw/zinc/89/45/72/647894572.db2.gz URRYMCPSRZOLMT-CYBMUJFWSA-N 1 2 277.368 0.738 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)CCC1 ZINC000886033456 647894574 /nfs/dbraw/zinc/89/45/74/647894574.db2.gz URRYMCPSRZOLMT-CYBMUJFWSA-N 1 2 277.368 0.738 20 30 CCEDLO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ncn(C)n1 ZINC000886157800 647909727 /nfs/dbraw/zinc/90/97/27/647909727.db2.gz LGQUHWUQCVBWJE-GHMZBOCLSA-N 1 2 263.345 0.911 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CC2(O)CCCC2)nn1 ZINC000887454082 648110478 /nfs/dbraw/zinc/11/04/78/648110478.db2.gz MABAVDLATSHKAU-CQSZACIVSA-N 1 2 292.383 0.447 20 30 CCEDLO C[C@H](CC(=O)N1CCO[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690831 648144631 /nfs/dbraw/zinc/14/46/31/648144631.db2.gz UXTXSWOIVALFKM-DGCLKSJQSA-N 1 2 262.313 0.975 20 30 CCEDLO N#Cc1csc(CNC(=O)/C=C\C[NH+]2CCOCC2)n1 ZINC000887979164 648179251 /nfs/dbraw/zinc/17/92/51/648179251.db2.gz VWCXTLCWFPMMCY-UPHRSURJSA-N 1 2 292.364 0.519 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000931519309 649000619 /nfs/dbraw/zinc/00/06/19/649000619.db2.gz WQQPWRBDPZIEQY-OAHLLOKOSA-N 1 2 275.352 0.784 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932963343 649107414 /nfs/dbraw/zinc/10/74/14/649107414.db2.gz UIOXIZYPUCGTMH-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932963343 649107416 /nfs/dbraw/zinc/10/74/16/649107416.db2.gz UIOXIZYPUCGTMH-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO C[Si](C)(C)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000932967462 649108019 /nfs/dbraw/zinc/10/80/19/649108019.db2.gz XTUQDFUUNOEBCE-MNOVXSKESA-N 1 2 272.446 0.734 20 30 CCEDLO C[Si](C)(C)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000932967462 649108023 /nfs/dbraw/zinc/10/80/23/649108023.db2.gz XTUQDFUUNOEBCE-MNOVXSKESA-N 1 2 272.446 0.734 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCOc2ccccc2[C@H]1CO ZINC000933380496 649120145 /nfs/dbraw/zinc/12/01/45/649120145.db2.gz OWBZQFODZGKUMO-DGCLKSJQSA-N 1 2 262.309 0.689 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCOc2ccccc2[C@H]1CO ZINC000933380496 649120146 /nfs/dbraw/zinc/12/01/46/649120146.db2.gz OWBZQFODZGKUMO-DGCLKSJQSA-N 1 2 262.309 0.689 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631327 649131250 /nfs/dbraw/zinc/13/12/50/649131250.db2.gz JBIAVMHWIDHBOV-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631327 649131252 /nfs/dbraw/zinc/13/12/52/649131252.db2.gz JBIAVMHWIDHBOV-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776403 649143786 /nfs/dbraw/zinc/14/37/86/649143786.db2.gz XNHZJNFYMMOQFE-SSDOTTSWSA-N 1 2 266.326 0.635 20 30 CCEDLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776403 649143788 /nfs/dbraw/zinc/14/37/88/649143788.db2.gz XNHZJNFYMMOQFE-SSDOTTSWSA-N 1 2 266.326 0.635 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C2OCCO2)CCC1 ZINC000933899428 649147158 /nfs/dbraw/zinc/14/71/58/649147158.db2.gz MVOPUGBEEFHSJM-NSHDSACASA-N 1 2 279.340 0.386 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C2OCCO2)CCC1 ZINC000933899428 649147161 /nfs/dbraw/zinc/14/71/61/649147161.db2.gz MVOPUGBEEFHSJM-NSHDSACASA-N 1 2 279.340 0.386 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000048917851 649328110 /nfs/dbraw/zinc/32/81/10/649328110.db2.gz YLNKKTWFYNMNPU-UHFFFAOYSA-N 1 2 282.303 0.619 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948949248 649403489 /nfs/dbraw/zinc/40/34/89/649403489.db2.gz SBHUAGXXEJMMEC-LBPRGKRZSA-N 1 2 273.340 0.113 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951867889 649568571 /nfs/dbraw/zinc/56/85/71/649568571.db2.gz MOFJBGHTXBJBKG-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(CC#N)CC1 ZINC000957508668 649750553 /nfs/dbraw/zinc/75/05/53/649750553.db2.gz IQHYPOWAILOAOL-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO C=CC[NH+]1CCN(c2nccnc2C(=O)OC)CC1 ZINC001165033812 721864422 /nfs/dbraw/zinc/86/44/22/721864422.db2.gz YQCBVUHATQBZEG-UHFFFAOYSA-N 1 2 262.313 0.571 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001230580791 805629165 /nfs/dbraw/zinc/62/91/65/805629165.db2.gz YWQZPPFLIRVWIV-AWEZNQCLSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001230580791 805629170 /nfs/dbraw/zinc/62/91/70/805629170.db2.gz YWQZPPFLIRVWIV-AWEZNQCLSA-N 1 2 287.363 0.878 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccccc1 ZINC001266250521 790328837 /nfs/dbraw/zinc/32/88/37/790328837.db2.gz UVRSLSTXYWISTI-UHFFFAOYSA-N 1 2 275.352 0.650 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccccc1 ZINC001266250521 790328850 /nfs/dbraw/zinc/32/88/50/790328850.db2.gz UVRSLSTXYWISTI-UHFFFAOYSA-N 1 2 275.352 0.650 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(CC)CC ZINC001266258361 790341102 /nfs/dbraw/zinc/34/11/02/790341102.db2.gz MQKGQVHBLAFDMV-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(CC)CC ZINC001266258361 790341113 /nfs/dbraw/zinc/34/11/13/790341113.db2.gz MQKGQVHBLAFDMV-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ocnc3CC)[C@H]2C1 ZINC001083187403 790415519 /nfs/dbraw/zinc/41/55/19/790415519.db2.gz QGSHEWUYYGSRKS-QWHCGFSZSA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ocnc3CC)[C@H]2C1 ZINC001083187403 790415524 /nfs/dbraw/zinc/41/55/24/790415524.db2.gz QGSHEWUYYGSRKS-QWHCGFSZSA-N 1 2 291.351 0.948 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266292645 790434158 /nfs/dbraw/zinc/43/41/58/790434158.db2.gz PJTXZFDBTNAFGB-CHWSQXEVSA-N 1 2 264.373 0.290 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001266333270 790527600 /nfs/dbraw/zinc/52/76/00/790527600.db2.gz JYAZCOOTWXEBDV-VHSXEESVSA-N 1 2 253.346 0.263 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266333270 790527608 /nfs/dbraw/zinc/52/76/08/790527608.db2.gz JYAZCOOTWXEBDV-VHSXEESVSA-N 1 2 253.346 0.263 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001266342095 790544988 /nfs/dbraw/zinc/54/49/88/790544988.db2.gz HMKRUBHVBQFCNW-QWHCGFSZSA-N 1 2 279.384 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001266342095 790544995 /nfs/dbraw/zinc/54/49/95/790544995.db2.gz HMKRUBHVBQFCNW-QWHCGFSZSA-N 1 2 279.384 0.076 20 30 CCEDLO CC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)CCC1 ZINC001266477245 790772240 /nfs/dbraw/zinc/77/22/40/790772240.db2.gz MASQWFQVQUJEQJ-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)CCC1 ZINC001266477245 790772250 /nfs/dbraw/zinc/77/22/50/790772250.db2.gz MASQWFQVQUJEQJ-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)c1csnn1 ZINC001125361789 790800590 /nfs/dbraw/zinc/80/05/90/790800590.db2.gz VJHRTOKCQSFBMY-MRVPVSSYSA-N 1 2 290.352 0.818 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266511399 790832311 /nfs/dbraw/zinc/83/23/11/790832311.db2.gz MLYPJUQESCCDRQ-CYBMUJFWSA-N 1 2 289.383 0.855 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266511399 790832324 /nfs/dbraw/zinc/83/23/24/790832324.db2.gz MLYPJUQESCCDRQ-CYBMUJFWSA-N 1 2 289.383 0.855 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)COCC ZINC001230694357 805649716 /nfs/dbraw/zinc/64/97/16/805649716.db2.gz BJDCDWIJQRKMGB-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)COCC ZINC001230694357 805649721 /nfs/dbraw/zinc/64/97/21/805649721.db2.gz BJDCDWIJQRKMGB-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC001231404777 805793634 /nfs/dbraw/zinc/79/36/34/805793634.db2.gz CKDUEYZXPKYWOJ-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC001231404777 805793638 /nfs/dbraw/zinc/79/36/38/805793638.db2.gz CKDUEYZXPKYWOJ-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC001277637257 805915073 /nfs/dbraw/zinc/91/50/73/805915073.db2.gz VOVVPZSRMAFETP-UHFFFAOYSA-N 1 2 278.356 0.677 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677266 805970179 /nfs/dbraw/zinc/97/01/79/805970179.db2.gz ALLPWHUQQNXEBP-CYBMUJFWSA-N 1 2 259.309 0.974 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677266 805970182 /nfs/dbraw/zinc/97/01/82/805970182.db2.gz ALLPWHUQQNXEBP-CYBMUJFWSA-N 1 2 259.309 0.974 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(C)c[nH]3)[C@H]2C1 ZINC001083218932 791213955 /nfs/dbraw/zinc/21/39/55/791213955.db2.gz RFPYCRDBGFVHBD-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc(C)c[nH]3)[C@H]2C1 ZINC001083218932 791213963 /nfs/dbraw/zinc/21/39/63/791213963.db2.gz RFPYCRDBGFVHBD-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213357013 791387849 /nfs/dbraw/zinc/38/78/49/791387849.db2.gz GSSGNXSMJPCRIJ-QJPTWQEYSA-N 1 2 283.372 0.032 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213357013 791387853 /nfs/dbraw/zinc/38/78/53/791387853.db2.gz GSSGNXSMJPCRIJ-QJPTWQEYSA-N 1 2 283.372 0.032 20 30 CCEDLO C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)NCC#N ZINC001267133942 791578606 /nfs/dbraw/zinc/57/86/06/791578606.db2.gz OJIHQBRAWZPJEV-NEPJUHHUSA-N 1 2 275.356 0.453 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196852 806203038 /nfs/dbraw/zinc/20/30/38/806203038.db2.gz WBHOYGSPCBHUNN-UONOGXRCSA-N 1 2 289.379 0.163 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196852 806203045 /nfs/dbraw/zinc/20/30/45/806203045.db2.gz WBHOYGSPCBHUNN-UONOGXRCSA-N 1 2 289.379 0.163 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214834 806204488 /nfs/dbraw/zinc/20/44/88/806204488.db2.gz FKLKUVVXPVKCNV-CHWSQXEVSA-N 1 2 293.411 0.833 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214834 806204497 /nfs/dbraw/zinc/20/44/97/806204497.db2.gz FKLKUVVXPVKCNV-CHWSQXEVSA-N 1 2 293.411 0.833 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267243028 793231433 /nfs/dbraw/zinc/23/14/33/793231433.db2.gz HGWXVMJQGIJVPQ-GHMZBOCLSA-N 1 2 261.329 0.475 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267243028 793231441 /nfs/dbraw/zinc/23/14/41/793231441.db2.gz HGWXVMJQGIJVPQ-GHMZBOCLSA-N 1 2 261.329 0.475 20 30 CCEDLO COC(=O)c1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001234668180 806296451 /nfs/dbraw/zinc/29/64/51/806296451.db2.gz FKBYGWKWZFRQFJ-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001234668180 806296455 /nfs/dbraw/zinc/29/64/55/806296455.db2.gz FKBYGWKWZFRQFJ-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(C(=O)OC)ccn2)CC1 ZINC001235211071 806387257 /nfs/dbraw/zinc/38/72/57/806387257.db2.gz RXOKOIKSWSQVBH-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO N#CCCC[NH+]1CC2(CCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC001277943250 806418842 /nfs/dbraw/zinc/41/88/42/806418842.db2.gz PZSZTOJYPHAMED-UHFFFAOYSA-N 1 2 287.323 0.386 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943346 806419973 /nfs/dbraw/zinc/41/99/73/806419973.db2.gz UAHNNBKEICGYPP-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943346 806419979 /nfs/dbraw/zinc/41/99/79/806419979.db2.gz UAHNNBKEICGYPP-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+]2CCCC#N ZINC001277943346 806419986 /nfs/dbraw/zinc/41/99/86/806419986.db2.gz UAHNNBKEICGYPP-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCC#N ZINC001277943346 806419994 /nfs/dbraw/zinc/41/99/94/806419994.db2.gz UAHNNBKEICGYPP-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001278054817 806640366 /nfs/dbraw/zinc/64/03/66/806640366.db2.gz WMHJBBVBSJZMJS-JTQLQIEISA-N 1 2 269.370 0.676 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ocnc1C(=O)OC ZINC001120685531 798914596 /nfs/dbraw/zinc/91/45/96/798914596.db2.gz GKSPBSOLOGPHMN-JTQLQIEISA-N 1 2 291.307 0.175 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ocnc1C(=O)OC ZINC001120685531 798914598 /nfs/dbraw/zinc/91/45/98/798914598.db2.gz GKSPBSOLOGPHMN-JTQLQIEISA-N 1 2 291.307 0.175 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001121278992 799025096 /nfs/dbraw/zinc/02/50/96/799025096.db2.gz OPQILHVQBJPRKU-MISXGVKJSA-N 1 2 277.372 0.185 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001121278992 799025105 /nfs/dbraw/zinc/02/51/05/799025105.db2.gz OPQILHVQBJPRKU-MISXGVKJSA-N 1 2 277.372 0.185 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121366771 799036541 /nfs/dbraw/zinc/03/65/41/799036541.db2.gz XWRMZLJHBQMXJT-LBPRGKRZSA-N 1 2 276.340 0.478 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccnn3C)n2CC)CC1 ZINC001121755492 799068195 /nfs/dbraw/zinc/06/81/95/799068195.db2.gz NKTBKKISADEEQO-UHFFFAOYSA-N 1 2 299.382 0.454 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237837983 806722625 /nfs/dbraw/zinc/72/26/25/806722625.db2.gz PPENZMITUSQRSW-UHFFFAOYSA-N 1 2 296.334 0.359 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123795998 799476144 /nfs/dbraw/zinc/47/61/44/799476144.db2.gz UNPKRYKZYUXNIN-UKRRQHHQSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123795998 799476148 /nfs/dbraw/zinc/47/61/48/799476148.db2.gz UNPKRYKZYUXNIN-UKRRQHHQSA-N 1 2 292.427 0.676 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001141737722 800031821 /nfs/dbraw/zinc/03/18/21/800031821.db2.gz GCKWMNVIODEYMU-UHFFFAOYSA-N 1 2 255.281 0.749 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)c(C#C)n1 ZINC001142626895 800139859 /nfs/dbraw/zinc/13/98/59/800139859.db2.gz YHVCNOSCXFSEND-AWEZNQCLSA-N 1 2 280.331 0.862 20 30 CCEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)C3(C#N)CC3)c12 ZINC001143172473 800203782 /nfs/dbraw/zinc/20/37/82/800203782.db2.gz XHBXQFUFYVSGKI-UHFFFAOYSA-N 1 2 285.263 0.987 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccnn3c2C)CC1 ZINC001151428888 800425230 /nfs/dbraw/zinc/42/52/30/800425230.db2.gz LBDDYNYJMSRQCH-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449785 800523061 /nfs/dbraw/zinc/52/30/61/800523061.db2.gz JRTPRXGLHJFBIV-WDEREUQCSA-N 1 2 289.401 0.017 20 30 CCEDLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449785 800523063 /nfs/dbraw/zinc/52/30/63/800523063.db2.gz JRTPRXGLHJFBIV-WDEREUQCSA-N 1 2 289.401 0.017 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001153091696 800596319 /nfs/dbraw/zinc/59/63/19/800596319.db2.gz ZKXXDBWBJIVFLO-NSHDSACASA-N 1 2 296.371 0.992 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n3ccnc3n2)CC1 ZINC001154432149 800780335 /nfs/dbraw/zinc/78/03/35/800780335.db2.gz KPBKXVMNJMHFEV-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3ccccn32)CC1 ZINC001155380932 800962409 /nfs/dbraw/zinc/96/24/09/800962409.db2.gz SHYYGSZKQOUKJR-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)n1 ZINC001156321259 801149766 /nfs/dbraw/zinc/14/97/66/801149766.db2.gz WXSZNYHMWIERLC-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO C=CCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239443985 806904727 /nfs/dbraw/zinc/90/47/27/806904727.db2.gz RDSZRUFZLLMJBU-JTQLQIEISA-N 1 2 271.386 0.274 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(Cl)c1C#N ZINC001157770075 801476241 /nfs/dbraw/zinc/47/62/41/801476241.db2.gz FGGMVOZDRHTGHH-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(Cl)c1C#N ZINC001157770075 801476244 /nfs/dbraw/zinc/47/62/44/801476244.db2.gz FGGMVOZDRHTGHH-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cncc(C#N)n1 ZINC001160690625 802000743 /nfs/dbraw/zinc/00/07/43/802000743.db2.gz FZTWHTLEUFCBED-NSHDSACASA-N 1 2 286.295 0.278 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)cc(C#N)n1 ZINC001161950297 802256509 /nfs/dbraw/zinc/25/65/09/802256509.db2.gz MFMUOWPFURIUEB-SECBINFHSA-N 1 2 268.704 0.909 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1(O)C[NH+](CC=C(C)C)C1 ZINC001278857463 808343982 /nfs/dbraw/zinc/34/39/82/808343982.db2.gz NJABPVXHKZJYSO-CQSZACIVSA-N 1 2 282.384 0.443 20 30 CCEDLO C#C[C@H](C)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001163160766 802498260 /nfs/dbraw/zinc/49/82/60/802498260.db2.gz BDLBHIAKJGKBTH-LBPRGKRZSA-N 1 2 286.383 0.928 20 30 CCEDLO C#C[C@H](C)Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001163160766 802498267 /nfs/dbraw/zinc/49/82/67/802498267.db2.gz BDLBHIAKJGKBTH-LBPRGKRZSA-N 1 2 286.383 0.928 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N(C)C)C1 ZINC001264371450 809644472 /nfs/dbraw/zinc/64/44/72/809644472.db2.gz WBQAPBZBKKDVGP-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001264371450 809644475 /nfs/dbraw/zinc/64/44/75/809644475.db2.gz WBQAPBZBKKDVGP-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001264387400 809649200 /nfs/dbraw/zinc/64/92/00/809649200.db2.gz MXQPZNZEODRZMW-PHIMTYICSA-N 1 2 278.360 0.161 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC001164308140 802717334 /nfs/dbraw/zinc/71/73/34/802717334.db2.gz ADYFOMJRWYEOAQ-ONGXEEELSA-N 1 2 290.279 0.782 20 30 CCEDLO CCOC(=O)/C=C/c1cccnc1N1CC[NH2+]C[C@H]1C#N ZINC001164640507 802774685 /nfs/dbraw/zinc/77/46/85/802774685.db2.gz BEXKCNQJPRQVKO-URWSZGRFSA-N 1 2 286.335 0.960 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001267748644 811740138 /nfs/dbraw/zinc/74/01/38/811740138.db2.gz CBWLMCVVQJVAEJ-TZMCWYRMSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001267748644 811740147 /nfs/dbraw/zinc/74/01/47/811740147.db2.gz CBWLMCVVQJVAEJ-TZMCWYRMSA-N 1 2 297.399 0.150 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C\C)C2)nn1 ZINC001105207389 811862798 /nfs/dbraw/zinc/86/27/98/811862798.db2.gz REKDPPMOYOQJHO-XGICHPGQSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)CC2CC2)C1 ZINC001270613143 813836548 /nfs/dbraw/zinc/83/65/48/813836548.db2.gz XLYHWLKOFGWZDC-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)CC2CC2)C1 ZINC001270613143 813836558 /nfs/dbraw/zinc/83/65/58/813836558.db2.gz XLYHWLKOFGWZDC-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213320543 803690537 /nfs/dbraw/zinc/69/05/37/803690537.db2.gz ZLIIPMSANGFKNF-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213320543 803690541 /nfs/dbraw/zinc/69/05/41/803690541.db2.gz ZLIIPMSANGFKNF-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCC)[C@H]2C1 ZINC001217579182 803898260 /nfs/dbraw/zinc/89/82/60/803898260.db2.gz HWNNPURZFYLAPK-HZSPNIEDSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCC)[C@H]2C1 ZINC001217579182 803898270 /nfs/dbraw/zinc/89/82/70/803898270.db2.gz HWNNPURZFYLAPK-HZSPNIEDSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219527663 804337287 /nfs/dbraw/zinc/33/72/87/804337287.db2.gz XSAUGQVLCDGDCD-MJBXVCDLSA-N 1 2 282.384 0.234 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219527663 804337292 /nfs/dbraw/zinc/33/72/92/804337292.db2.gz XSAUGQVLCDGDCD-MJBXVCDLSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001083457452 815016208 /nfs/dbraw/zinc/01/62/08/815016208.db2.gz QFMRVPVIBWYBMX-MJBXVCDLSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001083457452 815016214 /nfs/dbraw/zinc/01/62/14/815016214.db2.gz QFMRVPVIBWYBMX-MJBXVCDLSA-N 1 2 276.380 0.751 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220239593 804544139 /nfs/dbraw/zinc/54/41/39/804544139.db2.gz LEIPKFHJUAFZRG-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220239593 804544142 /nfs/dbraw/zinc/54/41/42/804544142.db2.gz LEIPKFHJUAFZRG-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C[NH2+]C(C)(C)C(=O)N=C(N)c1ccc(C(=O)OC)cc1 ZINC001220579334 804629905 /nfs/dbraw/zinc/62/99/05/804629905.db2.gz OGTVXGFTTMQNIN-UHFFFAOYSA-N 1 2 277.324 0.703 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316482133 804702785 /nfs/dbraw/zinc/70/27/85/804702785.db2.gz JZASNPOKCLBKDJ-WCQYABFASA-N 1 2 250.273 0.482 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316482133 804702788 /nfs/dbraw/zinc/70/27/88/804702788.db2.gz JZASNPOKCLBKDJ-WCQYABFASA-N 1 2 250.273 0.482 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)[C@@H](O)C1 ZINC001221007718 804717406 /nfs/dbraw/zinc/71/74/06/804717406.db2.gz QRXOUFLRCBMYLP-NEPJUHHUSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(CC)CC)[C@@H](O)C1 ZINC001221007718 804717412 /nfs/dbraw/zinc/71/74/12/804717412.db2.gz QRXOUFLRCBMYLP-NEPJUHHUSA-N 1 2 252.358 0.607 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221760859 804844006 /nfs/dbraw/zinc/84/40/06/804844006.db2.gz SBHTZYWDQUYIEB-YNEHKIRRSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221760859 804844012 /nfs/dbraw/zinc/84/40/12/804844012.db2.gz SBHTZYWDQUYIEB-YNEHKIRRSA-N 1 2 279.384 0.607 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001276825250 804844999 /nfs/dbraw/zinc/84/49/99/804844999.db2.gz YXMOFWSSVMKDNP-JSGCOSHPSA-N 1 2 264.369 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001276825250 804845006 /nfs/dbraw/zinc/84/50/06/804845006.db2.gz YXMOFWSSVMKDNP-JSGCOSHPSA-N 1 2 264.369 0.873 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276854611 804942797 /nfs/dbraw/zinc/94/27/97/804942797.db2.gz ZZDSFEFBGIDJQR-DZGCQCFKSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001276854611 804942803 /nfs/dbraw/zinc/94/28/03/804942803.db2.gz ZZDSFEFBGIDJQR-DZGCQCFKSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276854612 804942815 /nfs/dbraw/zinc/94/28/15/804942815.db2.gz ZZDSFEFBGIDJQR-HIFRSBDPSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001276854612 804942822 /nfs/dbraw/zinc/94/28/22/804942822.db2.gz ZZDSFEFBGIDJQR-HIFRSBDPSA-N 1 2 287.363 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001276908314 804984848 /nfs/dbraw/zinc/98/48/48/804984848.db2.gz GCGIVGIJEWKYEH-YPMHNXCESA-N 1 2 254.305 0.329 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001276908314 804984853 /nfs/dbraw/zinc/98/48/53/804984853.db2.gz GCGIVGIJEWKYEH-YPMHNXCESA-N 1 2 254.305 0.329 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001276970220 805034801 /nfs/dbraw/zinc/03/48/01/805034801.db2.gz NEMDBSYPEAVELE-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001276970220 805034811 /nfs/dbraw/zinc/03/48/11/805034811.db2.gz NEMDBSYPEAVELE-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)[nH]1 ZINC001225470720 805131407 /nfs/dbraw/zinc/13/14/07/805131407.db2.gz ZGHKSIBZEFXOOC-LSVRBPJHSA-N 1 2 287.319 0.959 20 30 CCEDLO Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)[nH]1 ZINC001225470720 805131412 /nfs/dbraw/zinc/13/14/12/805131412.db2.gz ZGHKSIBZEFXOOC-LSVRBPJHSA-N 1 2 287.319 0.959 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)/C=C/C3CC3)C2)nn1 ZINC001098649466 815054202 /nfs/dbraw/zinc/05/42/02/815054202.db2.gz ROBBQIPGWRVYCR-NFAHFFEMSA-N 1 2 299.378 0.741 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4c3CCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226381738 805224945 /nfs/dbraw/zinc/22/49/45/805224945.db2.gz QAWOJVWAJOSCHL-UBYSCORNSA-N 1 2 273.336 0.957 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4c3CCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226381738 805224950 /nfs/dbraw/zinc/22/49/50/805224950.db2.gz QAWOJVWAJOSCHL-UBYSCORNSA-N 1 2 273.336 0.957 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001226640799 805259891 /nfs/dbraw/zinc/25/98/91/805259891.db2.gz PWPMVRZQURVXQA-SECBINFHSA-N 1 2 279.369 0.778 20 30 CCEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576118 815064517 /nfs/dbraw/zinc/06/45/17/815064517.db2.gz NCAAVBNHKQAGDQ-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO C[N@@H+]1CCO[C@@H](COc2ccccc2C(=O)NO)C1 ZINC001227015088 805310197 /nfs/dbraw/zinc/31/01/97/805310197.db2.gz MLSRDGKFIQUBDD-SNVBAGLBSA-N 1 2 266.297 0.515 20 30 CCEDLO C[N@H+]1CCO[C@@H](COc2ccccc2C(=O)NO)C1 ZINC001227015088 805310199 /nfs/dbraw/zinc/31/01/99/805310199.db2.gz MLSRDGKFIQUBDD-SNVBAGLBSA-N 1 2 266.297 0.515 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2cccnn2)C3)CCC1 ZINC001277206748 805347574 /nfs/dbraw/zinc/34/75/74/805347574.db2.gz MHKQUELZHRLJBH-ZDUSSCGKSA-N 1 2 297.362 0.861 20 30 CCEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2ccnnc2)C3)CCC1 ZINC001277211182 805356013 /nfs/dbraw/zinc/35/60/13/805356013.db2.gz FKTTXTYAVQDCER-CYBMUJFWSA-N 1 2 297.362 0.861 20 30 CCEDLO C=C(C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001142518035 815070609 /nfs/dbraw/zinc/07/06/09/815070609.db2.gz LLDXVFOAGKXCBE-SNVBAGLBSA-N 1 2 251.286 0.197 20 30 CCEDLO C=C(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001142519244 815071148 /nfs/dbraw/zinc/07/11/48/815071148.db2.gz XYEBJYFAFWBNTM-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001142519244 815071155 /nfs/dbraw/zinc/07/11/55/815071155.db2.gz XYEBJYFAFWBNTM-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)CCS(C)(=O)=O)CC1 ZINC001228023049 805408089 /nfs/dbraw/zinc/40/80/89/805408089.db2.gz CVRRTYXUZJSRDD-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(-c4cccnc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228699057 805470138 /nfs/dbraw/zinc/47/01/38/805470138.db2.gz UQRWYMHPYLYMSW-HALBRFILSA-N 1 2 299.334 0.858 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(-c4cccnc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228699057 805470145 /nfs/dbraw/zinc/47/01/45/805470145.db2.gz UQRWYMHPYLYMSW-HALBRFILSA-N 1 2 299.334 0.858 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001278342797 806992895 /nfs/dbraw/zinc/99/28/95/806992895.db2.gz ZLVKGRDAWUYXTB-HNNXBMFYSA-N 1 2 288.395 0.532 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C#Cc1cccs1 ZINC001168350284 815106091 /nfs/dbraw/zinc/10/60/91/815106091.db2.gz UJSGHSNIHBSBQX-LLVKDONJSA-N 1 2 275.333 0.683 20 30 CCEDLO N#Cc1ccn2ncc(C[NH+]3CC(C(N)=O)C3)c2c1 ZINC001249113917 807543406 /nfs/dbraw/zinc/54/34/06/807543406.db2.gz QVZSXFIXDKYRRN-UHFFFAOYSA-N 1 2 255.281 0.123 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001126815683 815131614 /nfs/dbraw/zinc/13/16/14/815131614.db2.gz IUELGICKPXOHGV-UHFFFAOYSA-N 1 2 282.775 0.939 20 30 CCEDLO Cc1oc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251005883 807637438 /nfs/dbraw/zinc/63/74/38/807637438.db2.gz AJKLJGCDFHDVEP-GFCCVEGCSA-N 1 2 279.340 0.873 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001251891686 807737507 /nfs/dbraw/zinc/73/75/07/807737507.db2.gz XMJKOLZDYBTSRZ-KBPBESRZSA-N 1 2 283.368 0.709 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252498494 807896117 /nfs/dbraw/zinc/89/61/17/807896117.db2.gz NRXNNUBGFVWKIV-NSHDSACASA-N 1 2 259.346 0.871 20 30 CCEDLO C=CCN1CCC[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253409141 808062454 /nfs/dbraw/zinc/06/24/54/808062454.db2.gz OZXYNNBDZQYJFF-KBPBESRZSA-N 1 2 269.433 0.975 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253577411 808086310 /nfs/dbraw/zinc/08/63/10/808086310.db2.gz UWSKRJXRHUDZPN-JQWIXIFHSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253577411 808086315 /nfs/dbraw/zinc/08/63/15/808086315.db2.gz UWSKRJXRHUDZPN-JQWIXIFHSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001253586111 808092656 /nfs/dbraw/zinc/09/26/56/808092656.db2.gz JEOQYDHUHMWGSD-SECBINFHSA-N 1 2 265.313 0.491 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001253586111 808092663 /nfs/dbraw/zinc/09/26/63/808092663.db2.gz JEOQYDHUHMWGSD-SECBINFHSA-N 1 2 265.313 0.491 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)[C@H]1C ZINC001088811592 815183982 /nfs/dbraw/zinc/18/39/82/815183982.db2.gz KXHOBVBKUYUVQG-GRYCIOLGSA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)[C@H]1C ZINC001088811592 815183986 /nfs/dbraw/zinc/18/39/86/815183986.db2.gz KXHOBVBKUYUVQG-GRYCIOLGSA-N 1 2 299.802 0.939 20 30 CCEDLO CCOc1nnc(C[NH2+]CCNC(=O)C#CC2CC2)s1 ZINC001126885404 815188001 /nfs/dbraw/zinc/18/80/01/815188001.db2.gz FSZRIEIWCLRRQV-UHFFFAOYSA-N 1 2 294.380 0.556 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592650 808264148 /nfs/dbraw/zinc/26/41/48/808264148.db2.gz DWXGSYYNXIRYOS-UONOGXRCSA-N 1 2 272.308 0.859 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126899566 815203604 /nfs/dbraw/zinc/20/36/04/815203604.db2.gz SQVRUBQRCOSYCM-UHFFFAOYSA-N 1 2 258.325 0.404 20 30 CCEDLO CCOC(=O)N1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001256241204 808484582 /nfs/dbraw/zinc/48/45/82/808484582.db2.gz RHDMVSRQEWAELX-LBPRGKRZSA-N 1 2 266.345 0.405 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@@H](O)C1 ZINC001083525931 815212446 /nfs/dbraw/zinc/21/24/46/815212446.db2.gz SZIGGADTFBPGQH-OCCSQVGLSA-N 1 2 273.336 0.082 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@@H](O)C1 ZINC001083525931 815212448 /nfs/dbraw/zinc/21/24/48/815212448.db2.gz SZIGGADTFBPGQH-OCCSQVGLSA-N 1 2 273.336 0.082 20 30 CCEDLO C=CCn1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)nn1 ZINC001261424666 808975685 /nfs/dbraw/zinc/97/56/85/808975685.db2.gz AQTJSVSXGCTEHW-UHFFFAOYSA-N 1 2 272.374 0.377 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncnc1)O2 ZINC001261815008 809095604 /nfs/dbraw/zinc/09/56/04/809095604.db2.gz MDVLFFZKBPVOTI-ZDUSSCGKSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCOCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001261912234 809129281 /nfs/dbraw/zinc/12/92/81/809129281.db2.gz DSXPSADEQRUDFR-UHFFFAOYSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988116 809425362 /nfs/dbraw/zinc/42/53/62/809425362.db2.gz MBTUHHLKWNQTQF-WFASDCNBSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988116 809425370 /nfs/dbraw/zinc/42/53/70/809425370.db2.gz MBTUHHLKWNQTQF-WFASDCNBSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001263813068 809575223 /nfs/dbraw/zinc/57/52/23/809575223.db2.gz ZTTCGWMPRKOIJF-STQMWFEESA-N 1 2 291.395 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001263813068 809575228 /nfs/dbraw/zinc/57/52/28/809575228.db2.gz ZTTCGWMPRKOIJF-STQMWFEESA-N 1 2 291.395 0.621 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1cc(C#N)ccn1 ZINC001263921636 809606878 /nfs/dbraw/zinc/60/68/78/809606878.db2.gz ABRGHSKBFRSENA-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(C)C)C1 ZINC001265201666 809722677 /nfs/dbraw/zinc/72/26/77/809722677.db2.gz ULVDJGVWQUJVQU-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(C)C)C1 ZINC001265201666 809722680 /nfs/dbraw/zinc/72/26/80/809722680.db2.gz ULVDJGVWQUJVQU-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001265206562 809723084 /nfs/dbraw/zinc/72/30/84/809723084.db2.gz XCQIEFKTFOVLLT-GUNGLEHYSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001265206562 809723086 /nfs/dbraw/zinc/72/30/86/809723086.db2.gz XCQIEFKTFOVLLT-GUNGLEHYSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001265206563 809723109 /nfs/dbraw/zinc/72/31/09/809723109.db2.gz XCQIEFKTFOVLLT-LVOZBFFPSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001265206563 809723111 /nfs/dbraw/zinc/72/31/11/809723111.db2.gz XCQIEFKTFOVLLT-LVOZBFFPSA-N 1 2 291.395 0.673 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001265256158 809732510 /nfs/dbraw/zinc/73/25/10/809732510.db2.gz NVQMAKOXQKDNGW-AWEZNQCLSA-N 1 2 276.384 0.600 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC001265257283 809733101 /nfs/dbraw/zinc/73/31/01/809733101.db2.gz AJWSKJLAPPHKKH-AWEZNQCLSA-N 1 2 277.412 0.790 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001265792773 809855066 /nfs/dbraw/zinc/85/50/66/809855066.db2.gz UXHVSPLJIPMADO-WDEREUQCSA-N 1 2 261.329 0.063 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2CCC2)C1 ZINC001266211592 809964142 /nfs/dbraw/zinc/96/41/42/809964142.db2.gz GAVBJEDMJDODSR-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2CCC2)C1 ZINC001266211592 809964160 /nfs/dbraw/zinc/96/41/60/809964160.db2.gz GAVBJEDMJDODSR-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cncs2)C1 ZINC001279463147 809980559 /nfs/dbraw/zinc/98/05/59/809980559.db2.gz WLWDNIPQRYMGJS-CYBMUJFWSA-N 1 2 281.381 0.886 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cncs2)C1 ZINC001279463147 809980562 /nfs/dbraw/zinc/98/05/62/809980562.db2.gz WLWDNIPQRYMGJS-CYBMUJFWSA-N 1 2 281.381 0.886 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001280405856 810015813 /nfs/dbraw/zinc/01/58/13/810015813.db2.gz GQAQYWSWDYWHMY-CQSZACIVSA-N 1 2 262.353 0.627 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001280405856 810015815 /nfs/dbraw/zinc/01/58/15/810015815.db2.gz GQAQYWSWDYWHMY-CQSZACIVSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC001280415381 810018195 /nfs/dbraw/zinc/01/81/95/810018195.db2.gz JWAHRKURRYHBRE-KGLIPLIRSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC001280415381 810018202 /nfs/dbraw/zinc/01/82/02/810018202.db2.gz JWAHRKURRYHBRE-KGLIPLIRSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C)C1 ZINC001076699206 815349816 /nfs/dbraw/zinc/34/98/16/815349816.db2.gz ZDAWUQYUAKNGJE-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C)C1 ZINC001076699206 815349823 /nfs/dbraw/zinc/34/98/23/815349823.db2.gz ZDAWUQYUAKNGJE-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001076702921 815350476 /nfs/dbraw/zinc/35/04/76/815350476.db2.gz USGFWWSNJLYVOH-GHMZBOCLSA-N 1 2 264.350 0.546 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001076702921 815350481 /nfs/dbraw/zinc/35/04/81/815350481.db2.gz USGFWWSNJLYVOH-GHMZBOCLSA-N 1 2 264.350 0.546 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+]Cc1nn(C)cc1Cl ZINC001267355059 811202744 /nfs/dbraw/zinc/20/27/44/811202744.db2.gz GOXCXAFUKBOVAY-VIFPVBQESA-N 1 2 283.763 0.781 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2csnn2)[nH]1 ZINC001125776164 811319497 /nfs/dbraw/zinc/31/94/97/811319497.db2.gz HVPSKOGXWUHGOB-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001077103243 815445479 /nfs/dbraw/zinc/44/54/79/815445479.db2.gz GSISMAWLCQEGJV-GMTAPVOTSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001077103243 815445482 /nfs/dbraw/zinc/44/54/82/815445482.db2.gz GSISMAWLCQEGJV-GMTAPVOTSA-N 1 2 272.295 0.216 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CCCC1 ZINC001267574156 811466021 /nfs/dbraw/zinc/46/60/21/811466021.db2.gz WZDCVTGZIHXZDG-UHFFFAOYSA-N 1 2 278.400 0.776 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[C@H]1CCCO1 ZINC001267574223 811467608 /nfs/dbraw/zinc/46/76/08/811467608.db2.gz YQFVSFDVIQAVDR-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CC2(CC2)C1 ZINC001267574998 811468827 /nfs/dbraw/zinc/46/88/27/811468827.db2.gz ZOORVZOLEDHLES-UHFFFAOYSA-N 1 2 290.411 0.776 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@@]2(C)CCOC2)CC1 ZINC001267576529 811471322 /nfs/dbraw/zinc/47/13/22/811471322.db2.gz ZKNHBSILFIVWFV-INIZCTEOSA-N 1 2 293.411 0.122 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098599333 811503175 /nfs/dbraw/zinc/50/31/75/811503175.db2.gz ZBHRIAWJANSDNP-ZDUSSCGKSA-N 1 2 275.356 0.574 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602359 811527361 /nfs/dbraw/zinc/52/73/61/811527361.db2.gz FAMUIWUGPSEQEP-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@]2(C)CCOC2)CC1 ZINC001267617306 811575205 /nfs/dbraw/zinc/57/52/05/811575205.db2.gz BTZSCTOTAHQLGB-INIZCTEOSA-N 1 2 295.427 0.675 20 30 CCEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618361 811577024 /nfs/dbraw/zinc/57/70/24/811577024.db2.gz NJAAYDJBYRAPNI-GJZGRUSLSA-N 1 2 292.427 0.878 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCC)C1 ZINC001267623185 811583356 /nfs/dbraw/zinc/58/33/56/811583356.db2.gz FKJAVHDKSCFWHS-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCC)C1 ZINC001267623185 811583359 /nfs/dbraw/zinc/58/33/59/811583359.db2.gz FKJAVHDKSCFWHS-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCNC(=O)c2ccsc2)C1 ZINC001267649192 811614680 /nfs/dbraw/zinc/61/46/80/811614680.db2.gz KUTHTNVLZVSTNL-UHFFFAOYSA-N 1 2 293.392 0.854 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(COCC)CC2)C1 ZINC001267649813 811617158 /nfs/dbraw/zinc/61/71/58/811617158.db2.gz AHINWTAVCWMDCJ-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO N#CCSCC(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001267674502 811638240 /nfs/dbraw/zinc/63/82/40/811638240.db2.gz PZZHVLPXEAEQEI-UHFFFAOYSA-N 1 2 296.421 0.948 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001267735510 811705349 /nfs/dbraw/zinc/70/53/49/811705349.db2.gz BAUBEHKMJAOTCB-CQSZACIVSA-N 1 2 299.374 0.549 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001267735510 811705353 /nfs/dbraw/zinc/70/53/53/811705353.db2.gz BAUBEHKMJAOTCB-CQSZACIVSA-N 1 2 299.374 0.549 20 30 CCEDLO CN(CC#N)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267758983 811755958 /nfs/dbraw/zinc/75/59/58/811755958.db2.gz UMFRZWCAEDOZOO-UHFFFAOYSA-N 1 2 289.383 0.657 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3ccccc32)[C@@H](O)C1 ZINC001083571270 815477378 /nfs/dbraw/zinc/47/73/78/815477378.db2.gz OVAJILINXOGUOK-BBWFWOEESA-N 1 2 298.386 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3ccccc32)[C@@H](O)C1 ZINC001083571270 815477380 /nfs/dbraw/zinc/47/73/80/815477380.db2.gz OVAJILINXOGUOK-BBWFWOEESA-N 1 2 298.386 0.901 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001077329135 815481979 /nfs/dbraw/zinc/48/19/79/815481979.db2.gz KUROPGNJMUPLNS-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001077329135 815481982 /nfs/dbraw/zinc/48/19/82/815481982.db2.gz KUROPGNJMUPLNS-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C/C=C(/C)C=C)C2)nn1 ZINC001105303039 811901562 /nfs/dbraw/zinc/90/15/62/811901562.db2.gz ASJHRTQUJITEKN-MLPAPPSSSA-N 1 2 299.378 0.907 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001077405239 815494548 /nfs/dbraw/zinc/49/45/48/815494548.db2.gz WVIRLBUFGMUYJY-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001077405239 815494549 /nfs/dbraw/zinc/49/45/49/815494549.db2.gz WVIRLBUFGMUYJY-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001268026148 811998582 /nfs/dbraw/zinc/99/85/82/811998582.db2.gz HRYIRTBCGIUZKY-GFCCVEGCSA-N 1 2 293.342 0.766 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001268026148 811998588 /nfs/dbraw/zinc/99/85/88/811998588.db2.gz HRYIRTBCGIUZKY-GFCCVEGCSA-N 1 2 293.342 0.766 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038777989 812069962 /nfs/dbraw/zinc/06/99/62/812069962.db2.gz USUBCGWCLOWSLJ-SNVBAGLBSA-N 1 2 278.743 0.876 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038777989 812069968 /nfs/dbraw/zinc/06/99/68/812069968.db2.gz USUBCGWCLOWSLJ-SNVBAGLBSA-N 1 2 278.743 0.876 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001027855418 812095440 /nfs/dbraw/zinc/09/54/40/812095440.db2.gz QDPDZEJKIURQMF-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001027855418 812095450 /nfs/dbraw/zinc/09/54/50/812095450.db2.gz QDPDZEJKIURQMF-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918589 812140139 /nfs/dbraw/zinc/14/01/39/812140139.db2.gz QITLXRPMDMKFQE-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918589 812140143 /nfs/dbraw/zinc/14/01/43/812140143.db2.gz QITLXRPMDMKFQE-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO CC[C@@H](C)[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268251984 812416464 /nfs/dbraw/zinc/41/64/64/812416464.db2.gz LXYLVXWBSWLNEQ-CHWSQXEVSA-N 1 2 296.415 0.699 20 30 CCEDLO CC[C@@H](C)[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268251984 812416466 /nfs/dbraw/zinc/41/64/66/812416466.db2.gz LXYLVXWBSWLNEQ-CHWSQXEVSA-N 1 2 296.415 0.699 20 30 CCEDLO C=CCn1cc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)cn1 ZINC001139772883 812427442 /nfs/dbraw/zinc/42/74/42/812427442.db2.gz SGRQVHCBAJXAQS-UHFFFAOYSA-N 1 2 291.399 0.451 20 30 CCEDLO C=CCn1cc(C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)cn1 ZINC001139772883 812427445 /nfs/dbraw/zinc/42/74/45/812427445.db2.gz SGRQVHCBAJXAQS-UHFFFAOYSA-N 1 2 291.399 0.451 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001075620751 812495060 /nfs/dbraw/zinc/49/50/60/812495060.db2.gz BNNLDPDTWCBQEF-GMXVVIOVSA-N 1 2 288.355 0.007 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001075620751 812495062 /nfs/dbraw/zinc/49/50/62/812495062.db2.gz BNNLDPDTWCBQEF-GMXVVIOVSA-N 1 2 288.355 0.007 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(COC)cs2)[C@@H](O)C1 ZINC001083609276 815537388 /nfs/dbraw/zinc/53/73/88/815537388.db2.gz NFJDYBUVMCBTGB-NEPJUHHUSA-N 1 2 296.392 0.855 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(COC)cs2)[C@@H](O)C1 ZINC001083609276 815537396 /nfs/dbraw/zinc/53/73/96/815537396.db2.gz NFJDYBUVMCBTGB-NEPJUHHUSA-N 1 2 296.392 0.855 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCOC2CCOCC2)C1 ZINC001268470901 812625193 /nfs/dbraw/zinc/62/51/93/812625193.db2.gz WRDAKNBARXDKEC-UHFFFAOYSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)NC(=O)NCCC)C1 ZINC001268483207 812651827 /nfs/dbraw/zinc/65/18/27/812651827.db2.gz HGEUBMKGRZYNTE-UHFFFAOYSA-N 1 2 294.399 0.298 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556050 812835670 /nfs/dbraw/zinc/83/56/70/812835670.db2.gz OEQQSPYGFNUGPS-LLVKDONJSA-N 1 2 283.335 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556050 812835675 /nfs/dbraw/zinc/83/56/75/812835675.db2.gz OEQQSPYGFNUGPS-LLVKDONJSA-N 1 2 283.335 0.643 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268734247 813049268 /nfs/dbraw/zinc/04/92/68/813049268.db2.gz SIVJTLBXLMXQKL-SECBINFHSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268734247 813049274 /nfs/dbraw/zinc/04/92/74/813049274.db2.gz SIVJTLBXLMXQKL-SECBINFHSA-N 1 2 275.780 0.687 20 30 CCEDLO C#CCCCCCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001268858395 813117624 /nfs/dbraw/zinc/11/76/24/813117624.db2.gz JYVQYGZJXXSMOC-UHFFFAOYSA-N 1 2 279.384 0.364 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126618 813229408 /nfs/dbraw/zinc/22/94/08/813229408.db2.gz UTZZMPJQCVHGNA-GHMZBOCLSA-N 1 2 265.357 0.100 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126618 813229412 /nfs/dbraw/zinc/22/94/12/813229412.db2.gz UTZZMPJQCVHGNA-GHMZBOCLSA-N 1 2 265.357 0.100 20 30 CCEDLO C=CCS(=O)(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000710922852 813275722 /nfs/dbraw/zinc/27/57/22/813275722.db2.gz CFPALIKICGIKDN-LBPRGKRZSA-N 1 2 274.386 0.299 20 30 CCEDLO CCO[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC)C1CC1 ZINC001269235363 813281700 /nfs/dbraw/zinc/28/17/00/813281700.db2.gz KDRKONLABMZZAY-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO CCO[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC#CCOC)C1CC1 ZINC001269235363 813281705 /nfs/dbraw/zinc/28/17/05/813281705.db2.gz KDRKONLABMZZAY-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(CC#N)C1 ZINC001269348381 813334731 /nfs/dbraw/zinc/33/47/31/813334731.db2.gz KGVPYOHWECGNMQ-LLVKDONJSA-N 1 2 261.329 0.399 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001038403373 813345401 /nfs/dbraw/zinc/34/54/01/813345401.db2.gz IBYIXAIHCGQPOO-KBPBESRZSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001038403373 813345407 /nfs/dbraw/zinc/34/54/07/813345407.db2.gz IBYIXAIHCGQPOO-KBPBESRZSA-N 1 2 286.379 0.578 20 30 CCEDLO COC[C@H](C)[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001269755001 813491753 /nfs/dbraw/zinc/49/17/53/813491753.db2.gz JCBNRDFTYIOVLG-JTQLQIEISA-N 1 2 271.386 0.421 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038435356 813995813 /nfs/dbraw/zinc/99/58/13/813995813.db2.gz RRRPOOWATASOIE-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038435356 813995818 /nfs/dbraw/zinc/99/58/18/813995818.db2.gz RRRPOOWATASOIE-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)c1 ZINC001029244713 814014321 /nfs/dbraw/zinc/01/43/21/814014321.db2.gz KGAHEIJMJKXSBG-FPMFFAJLSA-N 1 2 287.367 0.755 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C)c1 ZINC001029244713 814014328 /nfs/dbraw/zinc/01/43/28/814014328.db2.gz KGAHEIJMJKXSBG-FPMFFAJLSA-N 1 2 287.367 0.755 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)[nH]1 ZINC001083413671 814030057 /nfs/dbraw/zinc/03/00/57/814030057.db2.gz ZNDXKHFBXHEFNZ-SLNCZRTGSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)[nH]1 ZINC001083413671 814030063 /nfs/dbraw/zinc/03/00/63/814030063.db2.gz ZNDXKHFBXHEFNZ-SLNCZRTGSA-N 1 2 294.742 0.414 20 30 CCEDLO N#CC1(C(=O)N2CC3(CCN3CCn3cc[nH+]c3)C2)CCC1 ZINC001271113190 814157597 /nfs/dbraw/zinc/15/75/97/814157597.db2.gz ZXCYTVNZSIBWMB-UHFFFAOYSA-N 1 2 299.378 0.864 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1CC ZINC001087708573 814192642 /nfs/dbraw/zinc/19/26/42/814192642.db2.gz HYKVAZVFEPYHBC-DTWKUNHWSA-N 1 2 259.737 0.193 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1CC ZINC001087708573 814192648 /nfs/dbraw/zinc/19/26/48/814192648.db2.gz HYKVAZVFEPYHBC-DTWKUNHWSA-N 1 2 259.737 0.193 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001271269221 814358607 /nfs/dbraw/zinc/35/86/07/814358607.db2.gz BMCSQRXBZXMPJS-UHFFFAOYSA-N 1 2 277.324 0.140 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271549368 814474100 /nfs/dbraw/zinc/47/41/00/814474100.db2.gz KINYMTDVZDQLRU-OLZOCXBDSA-N 1 2 289.383 0.703 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001280408698 814485030 /nfs/dbraw/zinc/48/50/30/814485030.db2.gz HLMQFXOZJPDPNM-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001280408698 814485033 /nfs/dbraw/zinc/48/50/33/814485033.db2.gz HLMQFXOZJPDPNM-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC001271957135 814651564 /nfs/dbraw/zinc/65/15/64/814651564.db2.gz JKZMCZWAPTVMIB-NWDGAFQWSA-N 1 2 267.373 0.335 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC001271957135 814651569 /nfs/dbraw/zinc/65/15/69/814651569.db2.gz JKZMCZWAPTVMIB-NWDGAFQWSA-N 1 2 267.373 0.335 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC001272004258 814698377 /nfs/dbraw/zinc/69/83/77/814698377.db2.gz DCWCRPOVXFCYHR-OAHLLOKOSA-N 1 2 294.399 0.637 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC001272004258 814698382 /nfs/dbraw/zinc/69/83/82/814698382.db2.gz DCWCRPOVXFCYHR-OAHLLOKOSA-N 1 2 294.399 0.637 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(CCF)CC1 ZINC001272076505 814921492 /nfs/dbraw/zinc/92/14/92/814921492.db2.gz ZRJQUMYLRFHEHC-UHFFFAOYSA-N 1 2 297.374 0.266 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(CCF)CC1 ZINC001272076505 814921498 /nfs/dbraw/zinc/92/14/98/814921498.db2.gz ZRJQUMYLRFHEHC-UHFFFAOYSA-N 1 2 297.374 0.266 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105891515 815954912 /nfs/dbraw/zinc/95/49/12/815954912.db2.gz FTMFAVOXMFASJY-ZYHUDNBSSA-N 1 2 294.355 0.265 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)CCC3)C1 ZINC001030336092 815981290 /nfs/dbraw/zinc/98/12/90/815981290.db2.gz RXQWSODDSUKFKL-UHFFFAOYSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OC)C1 ZINC001030425749 816031733 /nfs/dbraw/zinc/03/17/33/816031733.db2.gz OPHQMXXOAFEAHL-GXTWGEPZSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnn3ccccc23)C1 ZINC001030458893 816046704 /nfs/dbraw/zinc/04/67/04/816046704.db2.gz LOIHAMLOPWEWSL-UHFFFAOYSA-N 1 2 282.347 0.701 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)[C@H]1C ZINC001088854940 816080301 /nfs/dbraw/zinc/08/03/01/816080301.db2.gz ILNHGAGJLSNXGL-UHIISALHSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)[C@H]1C ZINC001088854940 816080304 /nfs/dbraw/zinc/08/03/04/816080304.db2.gz ILNHGAGJLSNXGL-UHIISALHSA-N 1 2 299.802 0.844 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001272345641 816347247 /nfs/dbraw/zinc/34/72/47/816347247.db2.gz HOQFBHSWUGRFQU-UHFFFAOYSA-N 1 2 272.352 0.713 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001030856730 816352621 /nfs/dbraw/zinc/35/26/21/816352621.db2.gz DXXDDSQTWMUXRF-UHFFFAOYSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C)O2)C1 ZINC001030899121 816407476 /nfs/dbraw/zinc/40/74/76/816407476.db2.gz ZRBSBHHYHDZJPS-WCQYABFASA-N 1 2 250.342 0.768 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001030939030 816467808 /nfs/dbraw/zinc/46/78/08/816467808.db2.gz DZVXWCQAXSBPAX-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO N#Cc1ccnnc1NCC1([NH+]2CCCC2)COC1 ZINC001168443051 816470137 /nfs/dbraw/zinc/47/01/37/816470137.db2.gz XLFJMRGPGDAMLN-UHFFFAOYSA-N 1 2 259.313 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001031057759 816612736 /nfs/dbraw/zinc/61/27/36/816612736.db2.gz CTQJRICSGHFCLJ-UHFFFAOYSA-N 1 2 270.336 0.791 20 30 CCEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106427023 816767529 /nfs/dbraw/zinc/76/75/29/816767529.db2.gz WVVWZQHIIOUAHX-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001031233893 816863434 /nfs/dbraw/zinc/86/34/34/816863434.db2.gz SBJYSYYCYCXKBM-GFCCVEGCSA-N 1 2 280.372 0.296 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001031238029 816872846 /nfs/dbraw/zinc/87/28/46/816872846.db2.gz OYSBJYWUFVADME-UHFFFAOYSA-N 1 2 298.350 0.248 20 30 CCEDLO CCN(CCNc1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001106789700 816910857 /nfs/dbraw/zinc/91/08/57/816910857.db2.gz BHHRMCZSZPAATE-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001046950434 816980946 /nfs/dbraw/zinc/98/09/46/816980946.db2.gz HVBSRTZZOCIDQY-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001046950434 816980956 /nfs/dbraw/zinc/98/09/56/816980956.db2.gz HVBSRTZZOCIDQY-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001046950434 816980963 /nfs/dbraw/zinc/98/09/63/816980963.db2.gz HVBSRTZZOCIDQY-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001046950434 816980967 /nfs/dbraw/zinc/98/09/67/816980967.db2.gz HVBSRTZZOCIDQY-VIFPVBQESA-N 1 2 285.298 0.678 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(Cc3[nH]c[nH+]c3C)C[C@@]2(F)C1=O ZINC001272661613 816984697 /nfs/dbraw/zinc/98/46/97/816984697.db2.gz QHMVDSURIBKLLL-UONOGXRCSA-N 1 2 294.305 0.426 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncnc2C2CC2)C1 ZINC001031331317 816985459 /nfs/dbraw/zinc/98/54/59/816985459.db2.gz OSDDGRJYCLURON-UHFFFAOYSA-N 1 2 270.336 0.791 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001031375089 817008655 /nfs/dbraw/zinc/00/86/55/817008655.db2.gz OTLMPLZMHPPDLN-UHFFFAOYSA-N 1 2 290.367 0.643 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001031374270 817009623 /nfs/dbraw/zinc/00/96/23/817009623.db2.gz CPVISTZFALCGBQ-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031474607 817070047 /nfs/dbraw/zinc/07/00/47/817070047.db2.gz PTFDOOHWRJBPAT-UHFFFAOYSA-N 1 2 254.721 0.436 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031570737 817149080 /nfs/dbraw/zinc/14/90/80/817149080.db2.gz XNMSMAKRLJRBNK-LLVKDONJSA-N 1 2 258.749 0.823 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212324968 817370235 /nfs/dbraw/zinc/37/02/35/817370235.db2.gz MGPLMOORPJWHQW-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212324968 817370241 /nfs/dbraw/zinc/37/02/41/817370241.db2.gz MGPLMOORPJWHQW-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031897519 817449804 /nfs/dbraw/zinc/44/98/04/817449804.db2.gz TUPPDNLRAITPRR-QWRGUYRKSA-N 1 2 285.775 0.298 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124482885 817484879 /nfs/dbraw/zinc/48/48/79/817484879.db2.gz JGQYKSGQMMEUOV-LBPRGKRZSA-N 1 2 278.356 0.664 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001124764960 817566412 /nfs/dbraw/zinc/56/64/12/817566412.db2.gz GNZTWTCKBVGJIN-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nnc[nH]3)C2)cc1 ZINC001032058199 817587940 /nfs/dbraw/zinc/58/79/40/817587940.db2.gz KINJIFUUHYLOLK-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001032058199 817587944 /nfs/dbraw/zinc/58/79/44/817587944.db2.gz KINJIFUUHYLOLK-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001124903941 817629085 /nfs/dbraw/zinc/62/90/85/817629085.db2.gz URAULVYMXRZOOQ-VIFPVBQESA-N 1 2 289.295 0.695 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccn(C)c2=O)C1 ZINC001032134118 817660622 /nfs/dbraw/zinc/66/06/22/817660622.db2.gz CIXYJGUICDQJLS-UHFFFAOYSA-N 1 2 295.770 0.799 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001107077940 817717369 /nfs/dbraw/zinc/71/73/69/817717369.db2.gz TYSZNJGPEFGDAY-VXGBXAGGSA-N 1 2 261.329 0.091 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC(C)C)nn2)C1 ZINC001107119685 817773013 /nfs/dbraw/zinc/77/30/13/817773013.db2.gz CJHFFVZAHXPPCO-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCCC)nn2)C1 ZINC001107141112 817792020 /nfs/dbraw/zinc/79/20/20/817792020.db2.gz NWYUVBOVIANUJA-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO N#CCN1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107587226 817890431 /nfs/dbraw/zinc/89/04/31/817890431.db2.gz KTXZONMYUWQYGA-IUODEOHRSA-N 1 2 287.367 0.837 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805066 817891959 /nfs/dbraw/zinc/89/19/59/817891959.db2.gz ITWJVAPJUWFLDD-YUMQZZPRSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127805066 817891967 /nfs/dbraw/zinc/89/19/67/817891967.db2.gz ITWJVAPJUWFLDD-YUMQZZPRSA-N 1 2 299.268 0.283 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC2)C1 ZINC001107675919 817939219 /nfs/dbraw/zinc/93/92/19/817939219.db2.gz SUUJOLAMZARVRV-AWEZNQCLSA-N 1 2 250.342 0.627 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC2)C1 ZINC001107675919 817939225 /nfs/dbraw/zinc/93/92/25/817939225.db2.gz SUUJOLAMZARVRV-AWEZNQCLSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001032347406 817949747 /nfs/dbraw/zinc/94/97/47/817949747.db2.gz WJGMHBHUOADLPF-QWRGUYRKSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001032347406 817949752 /nfs/dbraw/zinc/94/97/52/817949752.db2.gz WJGMHBHUOADLPF-QWRGUYRKSA-N 1 2 254.280 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncnc2C)C1 ZINC001107770917 817997112 /nfs/dbraw/zinc/99/71/12/817997112.db2.gz WQBKMNNRFMQFMF-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncnc2C)C1 ZINC001107770917 817997115 /nfs/dbraw/zinc/99/71/15/817997115.db2.gz WQBKMNNRFMQFMF-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107811571 818027547 /nfs/dbraw/zinc/02/75/47/818027547.db2.gz NUCGTTSRISAXDH-JSGCOSHPSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107811571 818027554 /nfs/dbraw/zinc/02/75/54/818027554.db2.gz NUCGTTSRISAXDH-JSGCOSHPSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108046027 818108846 /nfs/dbraw/zinc/10/88/46/818108846.db2.gz HVUJVNREPNIOBU-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108046027 818108849 /nfs/dbraw/zinc/10/88/49/818108849.db2.gz HVUJVNREPNIOBU-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983852 818169450 /nfs/dbraw/zinc/16/94/50/818169450.db2.gz OYMMVLSNQYNPKO-SFYZADRCSA-N 1 2 268.691 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001089983852 818169455 /nfs/dbraw/zinc/16/94/55/818169455.db2.gz OYMMVLSNQYNPKO-SFYZADRCSA-N 1 2 268.691 0.555 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128405104 818221336 /nfs/dbraw/zinc/22/13/36/818221336.db2.gz OLEHAMVXGJQRHR-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033071094 818490263 /nfs/dbraw/zinc/49/02/63/818490263.db2.gz JZLUZADTSWRVIP-LLVKDONJSA-N 1 2 297.790 0.941 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033071094 818490266 /nfs/dbraw/zinc/49/02/66/818490266.db2.gz JZLUZADTSWRVIP-LLVKDONJSA-N 1 2 297.790 0.941 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090097717 818510100 /nfs/dbraw/zinc/51/01/00/818510100.db2.gz ZOGIYCRHUNBNQT-KOLCDFICSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001090097717 818510105 /nfs/dbraw/zinc/51/01/05/818510105.db2.gz ZOGIYCRHUNBNQT-KOLCDFICSA-N 1 2 285.731 0.592 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033144727 818569105 /nfs/dbraw/zinc/56/91/05/818569105.db2.gz AYVINCGPGMUOPT-GFCCVEGCSA-N 1 2 290.367 0.306 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033144727 818569114 /nfs/dbraw/zinc/56/91/14/818569114.db2.gz AYVINCGPGMUOPT-GFCCVEGCSA-N 1 2 290.367 0.306 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCN(C)C)C2 ZINC001273108378 818623455 /nfs/dbraw/zinc/62/34/55/818623455.db2.gz NKCJLQUEPUOPQC-INIZCTEOSA-N 1 2 295.427 0.675 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCN(C)C)C2 ZINC001273108378 818623458 /nfs/dbraw/zinc/62/34/58/818623458.db2.gz NKCJLQUEPUOPQC-INIZCTEOSA-N 1 2 295.427 0.675 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083853175 818703620 /nfs/dbraw/zinc/70/36/20/818703620.db2.gz GKVNPCHQWBKZQU-RNJOBUHISA-N 1 2 286.347 0.098 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083853175 818703623 /nfs/dbraw/zinc/70/36/23/818703623.db2.gz GKVNPCHQWBKZQU-RNJOBUHISA-N 1 2 286.347 0.098 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033400740 818764167 /nfs/dbraw/zinc/76/41/67/818764167.db2.gz XBBKGMLWCCZDMW-LLVKDONJSA-N 1 2 265.357 0.361 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033400740 818764172 /nfs/dbraw/zinc/76/41/72/818764172.db2.gz XBBKGMLWCCZDMW-LLVKDONJSA-N 1 2 265.357 0.361 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001033575899 818833806 /nfs/dbraw/zinc/83/38/06/818833806.db2.gz DOAUFXTWZLSUHW-RYUDHWBXSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001033575899 818833810 /nfs/dbraw/zinc/83/38/10/818833810.db2.gz DOAUFXTWZLSUHW-RYUDHWBXSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001033575899 818833815 /nfs/dbraw/zinc/83/38/15/818833815.db2.gz DOAUFXTWZLSUHW-RYUDHWBXSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001033575899 818833819 /nfs/dbraw/zinc/83/38/19/818833819.db2.gz DOAUFXTWZLSUHW-RYUDHWBXSA-N 1 2 289.383 0.628 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001033690678 818890733 /nfs/dbraw/zinc/89/07/33/818890733.db2.gz FXAALSRTVKQPRS-NSHDSACASA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001033690678 818890737 /nfs/dbraw/zinc/89/07/37/818890737.db2.gz FXAALSRTVKQPRS-NSHDSACASA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H](O)C1 ZINC001083859104 819004601 /nfs/dbraw/zinc/00/46/01/819004601.db2.gz GNZCXFCDBYIRDT-BIMULSAOSA-N 1 2 291.351 0.189 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H](O)C1 ZINC001083859104 819004604 /nfs/dbraw/zinc/00/46/04/819004604.db2.gz GNZCXFCDBYIRDT-BIMULSAOSA-N 1 2 291.351 0.189 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](O)C1 ZINC001083860911 819169236 /nfs/dbraw/zinc/16/92/36/819169236.db2.gz NPYTYPLCJOJPPS-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](O)C1 ZINC001083860911 819169242 /nfs/dbraw/zinc/16/92/42/819169242.db2.gz NPYTYPLCJOJPPS-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCC1 ZINC001129124677 819420438 /nfs/dbraw/zinc/42/04/38/819420438.db2.gz DECYFDTTZTXECW-UHFFFAOYSA-N 1 2 262.313 0.469 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001083866700 819421772 /nfs/dbraw/zinc/42/17/72/819421772.db2.gz CLIREWDJUSZSTL-PWSUYJOCSA-N 1 2 293.392 0.675 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001083866700 819421777 /nfs/dbraw/zinc/42/17/77/819421777.db2.gz CLIREWDJUSZSTL-PWSUYJOCSA-N 1 2 293.392 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035297069 819441459 /nfs/dbraw/zinc/44/14/59/819441459.db2.gz USPUUXMXCWHGSP-GFCCVEGCSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035297069 819441462 /nfs/dbraw/zinc/44/14/62/819441462.db2.gz USPUUXMXCWHGSP-GFCCVEGCSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccon2)C1 ZINC001035301044 819453097 /nfs/dbraw/zinc/45/30/97/819453097.db2.gz ANDGRLNDKGTSOS-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccon2)C1 ZINC001035301044 819453100 /nfs/dbraw/zinc/45/31/00/819453100.db2.gz ANDGRLNDKGTSOS-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159657 819465121 /nfs/dbraw/zinc/46/51/21/819465121.db2.gz OQSVPCINRTYJCB-FRRDWIJNSA-N 1 2 295.362 0.800 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159657 819465126 /nfs/dbraw/zinc/46/51/26/819465126.db2.gz OQSVPCINRTYJCB-FRRDWIJNSA-N 1 2 295.362 0.800 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035317691 819467571 /nfs/dbraw/zinc/46/75/71/819467571.db2.gz VYZQNTJHRBEVBU-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035317691 819467574 /nfs/dbraw/zinc/46/75/74/819467574.db2.gz VYZQNTJHRBEVBU-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129170617 819493794 /nfs/dbraw/zinc/49/37/94/819493794.db2.gz XXAKBMLWBBLSFC-UPJWGTAASA-N 1 2 293.346 0.391 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129170617 819493799 /nfs/dbraw/zinc/49/37/99/819493799.db2.gz XXAKBMLWBBLSFC-UPJWGTAASA-N 1 2 293.346 0.391 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035356564 819497620 /nfs/dbraw/zinc/49/76/20/819497620.db2.gz VYNLSFWILNKTTB-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035356564 819497627 /nfs/dbraw/zinc/49/76/27/819497627.db2.gz VYNLSFWILNKTTB-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccns2)C1 ZINC001035387042 819504398 /nfs/dbraw/zinc/50/43/98/819504398.db2.gz UJGIKBSSHMKCKK-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccns2)C1 ZINC001035387042 819504399 /nfs/dbraw/zinc/50/43/99/819504399.db2.gz UJGIKBSSHMKCKK-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035410693 819516514 /nfs/dbraw/zinc/51/65/14/819516514.db2.gz WKFGPNVTIPOFDD-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035410693 819516519 /nfs/dbraw/zinc/51/65/19/819516519.db2.gz WKFGPNVTIPOFDD-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035468430 819539385 /nfs/dbraw/zinc/53/93/85/819539385.db2.gz GQOIUMNAMRFJCT-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035468430 819539390 /nfs/dbraw/zinc/53/93/90/819539390.db2.gz GQOIUMNAMRFJCT-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)C)CCO1 ZINC001035511624 819543596 /nfs/dbraw/zinc/54/35/96/819543596.db2.gz XDDKCGTUKGGERE-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001035511624 819543602 /nfs/dbraw/zinc/54/36/02/819543602.db2.gz XDDKCGTUKGGERE-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035512592 819544165 /nfs/dbraw/zinc/54/41/65/819544165.db2.gz MHZPNBMUFJDZBU-JHJVBQTASA-N 1 2 268.357 0.557 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035512592 819544169 /nfs/dbraw/zinc/54/41/69/819544169.db2.gz MHZPNBMUFJDZBU-JHJVBQTASA-N 1 2 268.357 0.557 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NCC#N ZINC001036193242 819703693 /nfs/dbraw/zinc/70/36/93/819703693.db2.gz MKRPYOBOBAHNIB-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888079 820092799 /nfs/dbraw/zinc/09/27/99/820092799.db2.gz YXVKABKLPBRIAG-CABCVRRESA-N 1 2 295.427 0.456 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001083888079 820092807 /nfs/dbraw/zinc/09/28/07/820092807.db2.gz YXVKABKLPBRIAG-CABCVRRESA-N 1 2 295.427 0.456 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001083888079 820092817 /nfs/dbraw/zinc/09/28/17/820092817.db2.gz YXVKABKLPBRIAG-CABCVRRESA-N 1 2 295.427 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001079630656 820437084 /nfs/dbraw/zinc/43/70/84/820437084.db2.gz GVRKABFJTJVRQU-PSASIEDQSA-N 1 2 299.758 0.781 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001079630656 820437089 /nfs/dbraw/zinc/43/70/89/820437089.db2.gz GVRKABFJTJVRQU-PSASIEDQSA-N 1 2 299.758 0.781 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001079605676 820437941 /nfs/dbraw/zinc/43/79/41/820437941.db2.gz ULZBPTLWEVTSMZ-LDYMZIIASA-N 1 2 297.790 0.805 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001079605676 820437946 /nfs/dbraw/zinc/43/79/46/820437946.db2.gz ULZBPTLWEVTSMZ-LDYMZIIASA-N 1 2 297.790 0.805 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001079628495 820440797 /nfs/dbraw/zinc/44/07/97/820440797.db2.gz DSNYEGLHJDUVKF-NOZJJQNGSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001079628495 820440802 /nfs/dbraw/zinc/44/08/02/820440802.db2.gz DSNYEGLHJDUVKF-NOZJJQNGSA-N 1 2 299.802 0.654 20 30 CCEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(C)=O ZINC001081236175 820721109 /nfs/dbraw/zinc/72/11/09/820721109.db2.gz WJXRSQMVDRPWJP-HZPDHXFCSA-N 1 2 272.348 0.873 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(C)=O ZINC001081236175 820721115 /nfs/dbraw/zinc/72/11/15/820721115.db2.gz WJXRSQMVDRPWJP-HZPDHXFCSA-N 1 2 272.348 0.873 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 ZINC001081743118 820826874 /nfs/dbraw/zinc/82/68/74/820826874.db2.gz MWRRCBIHJRAXPZ-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 ZINC001081743118 820826880 /nfs/dbraw/zinc/82/68/80/820826880.db2.gz MWRRCBIHJRAXPZ-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)n1 ZINC001082450678 820972154 /nfs/dbraw/zinc/97/21/54/820972154.db2.gz DLDABHGYYJWUFN-FXPVBKGRSA-N 1 2 277.328 0.474 20 30 CCEDLO COC(OC)c1cc(C)cnc1N1CC[NH2+]C[C@H]1C#N ZINC001164651459 821002382 /nfs/dbraw/zinc/00/23/82/821002382.db2.gz HYXVANUENAUKES-LLVKDONJSA-N 1 2 276.340 0.983 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082976408 821083701 /nfs/dbraw/zinc/08/37/01/821083701.db2.gz KYHKUZHXNRNWPY-NWDGAFQWSA-N 1 2 268.332 0.669 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082976408 821083708 /nfs/dbraw/zinc/08/37/08/821083708.db2.gz KYHKUZHXNRNWPY-NWDGAFQWSA-N 1 2 268.332 0.669 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)n3C)[C@H]2C1 ZINC001082993738 821098260 /nfs/dbraw/zinc/09/82/60/821098260.db2.gz KNGOQGQHLAOOBN-LSDHHAIUSA-N 1 2 287.363 0.492 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)n3C)[C@H]2C1 ZINC001082993738 821098267 /nfs/dbraw/zinc/09/82/67/821098267.db2.gz KNGOQGQHLAOOBN-LSDHHAIUSA-N 1 2 287.363 0.492 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnns3)[C@H]2C1 ZINC001083013740 821108661 /nfs/dbraw/zinc/10/86/61/821108661.db2.gz ZUAISZQEOCBYOP-WDEREUQCSA-N 1 2 292.364 0.087 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnns3)[C@H]2C1 ZINC001083013740 821108664 /nfs/dbraw/zinc/10/86/64/821108664.db2.gz ZUAISZQEOCBYOP-WDEREUQCSA-N 1 2 292.364 0.087 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncoc3CC)[C@H]2C1 ZINC001083030353 821115833 /nfs/dbraw/zinc/11/58/33/821115833.db2.gz IAKPBBWMKVBUGN-WCQYABFASA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncoc3CC)[C@H]2C1 ZINC001083030353 821115836 /nfs/dbraw/zinc/11/58/36/821115836.db2.gz IAKPBBWMKVBUGN-WCQYABFASA-N 1 2 291.351 0.948 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001083166886 821152092 /nfs/dbraw/zinc/15/20/92/821152092.db2.gz RMONFHJWKNFMGK-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001083166886 821152099 /nfs/dbraw/zinc/15/20/99/821152099.db2.gz RMONFHJWKNFMGK-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4ccccc43)[C@H]2C1 ZINC001083179818 821157905 /nfs/dbraw/zinc/15/79/05/821157905.db2.gz KBLIGTRVBMBWJB-YESZJQIVSA-N 1 2 296.370 0.871 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4ccccc43)[C@H]2C1 ZINC001083179818 821157910 /nfs/dbraw/zinc/15/79/10/821157910.db2.gz KBLIGTRVBMBWJB-YESZJQIVSA-N 1 2 296.370 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](O)C1 ZINC001083989419 821171708 /nfs/dbraw/zinc/17/17/08/821171708.db2.gz JEPSKNDSGAPTFR-KGLIPLIRSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](O)C1 ZINC001083989419 821171711 /nfs/dbraw/zinc/17/17/11/821171711.db2.gz JEPSKNDSGAPTFR-KGLIPLIRSA-N 1 2 274.320 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001084031062 821181177 /nfs/dbraw/zinc/18/11/77/821181177.db2.gz QBCCVNWMNJUMDH-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001084031062 821181180 /nfs/dbraw/zinc/18/11/80/821181180.db2.gz QBCCVNWMNJUMDH-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001084018020 821185455 /nfs/dbraw/zinc/18/54/55/821185455.db2.gz UXCLTQWFNLUIBC-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001084018020 821185458 /nfs/dbraw/zinc/18/54/58/821185458.db2.gz UXCLTQWFNLUIBC-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](O)C1 ZINC001084050842 821187196 /nfs/dbraw/zinc/18/71/96/821187196.db2.gz PUDDBLOPTLVBQQ-OLZOCXBDSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](O)C1 ZINC001084050842 821187202 /nfs/dbraw/zinc/18/72/02/821187202.db2.gz PUDDBLOPTLVBQQ-OLZOCXBDSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@@H](O)C(C)C ZINC000820365080 821442780 /nfs/dbraw/zinc/44/27/80/821442780.db2.gz NWSDNAYKCSZIME-RDBSUJKOSA-N 1 2 266.385 0.996 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@@H](O)C(C)C ZINC000820365080 821442783 /nfs/dbraw/zinc/44/27/83/821442783.db2.gz NWSDNAYKCSZIME-RDBSUJKOSA-N 1 2 266.385 0.996 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2n[nH]cc2F)C1 ZINC001108195533 821555255 /nfs/dbraw/zinc/55/52/55/821555255.db2.gz FKLPLWKENLCWRR-CYBMUJFWSA-N 1 2 282.319 0.556 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2n[nH]cc2F)C1 ZINC001108195533 821555259 /nfs/dbraw/zinc/55/52/59/821555259.db2.gz FKLPLWKENLCWRR-CYBMUJFWSA-N 1 2 282.319 0.556 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC001085464749 821719085 /nfs/dbraw/zinc/71/90/85/821719085.db2.gz LEBHHCDJDDLLMY-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC001085464749 821719088 /nfs/dbraw/zinc/71/90/88/821719088.db2.gz LEBHHCDJDDLLMY-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085467861 821722156 /nfs/dbraw/zinc/72/21/56/821722156.db2.gz CMRLHMAVNOWEQN-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085467861 821722161 /nfs/dbraw/zinc/72/21/61/821722161.db2.gz CMRLHMAVNOWEQN-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085681520 821892795 /nfs/dbraw/zinc/89/27/95/821892795.db2.gz ZYXRWYJEIKIIMX-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085977083 822048491 /nfs/dbraw/zinc/04/84/91/822048491.db2.gz NDXMPDZTCZULFN-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085977083 822048500 /nfs/dbraw/zinc/04/85/00/822048500.db2.gz NDXMPDZTCZULFN-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2nccc2C)C1 ZINC001108249402 822142255 /nfs/dbraw/zinc/14/22/55/822142255.db2.gz CMJFCLZIWPSVCD-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2nccc2C)C1 ZINC001108249402 822142259 /nfs/dbraw/zinc/14/22/59/822142259.db2.gz CMJFCLZIWPSVCD-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001114236831 837481942 /nfs/dbraw/zinc/48/19/42/837481942.db2.gz BGURTNVVMLINKN-FOLVSLTJSA-N 1 2 286.379 0.626 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001114236831 837481944 /nfs/dbraw/zinc/48/19/44/837481944.db2.gz BGURTNVVMLINKN-FOLVSLTJSA-N 1 2 286.379 0.626 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001129513786 837525511 /nfs/dbraw/zinc/52/55/11/837525511.db2.gz HJUCQSDRQUFQJR-UHFFFAOYSA-N 1 2 289.339 0.885 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCNCC#N)C2 ZINC001130490355 837810124 /nfs/dbraw/zinc/81/01/24/837810124.db2.gz BQFPSTBGPDBMJI-JTQLQIEISA-N 1 2 261.329 0.052 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCNCC#N)CC2 ZINC001130490355 837810132 /nfs/dbraw/zinc/81/01/32/837810132.db2.gz BQFPSTBGPDBMJI-JTQLQIEISA-N 1 2 261.329 0.052 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCc2ccc(N)[nH+]c2)CCO1 ZINC001183933379 844112249 /nfs/dbraw/zinc/11/22/49/844112249.db2.gz KWPUMOFMULOHAX-NSHDSACASA-N 1 2 260.297 0.347 20 30 CCEDLO CC#Cc1cncc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001169132206 836147349 /nfs/dbraw/zinc/14/73/49/836147349.db2.gz HWWUDWKTKKHMAS-OLZOCXBDSA-N 1 2 259.309 0.768 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)Cc1c[nH+]cn1C ZINC001108456230 836201255 /nfs/dbraw/zinc/20/12/55/836201255.db2.gz UFIUGHNCLZKTNN-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO CCOC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001169681689 836419097 /nfs/dbraw/zinc/41/90/97/836419097.db2.gz JDUZUYYVVXIWFO-OLZOCXBDSA-N 1 2 280.372 0.795 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 ZINC001108527431 836422402 /nfs/dbraw/zinc/42/24/02/836422402.db2.gz IPRYPGSHWCBAHP-VXGBXAGGSA-N 1 2 290.367 0.123 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108530426 836429381 /nfs/dbraw/zinc/42/93/81/836429381.db2.gz JUYNCZPFXJMQHQ-QWRGUYRKSA-N 1 2 276.340 0.740 20 30 CCEDLO C=CC[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)C(=O)OC ZINC001169836465 836455989 /nfs/dbraw/zinc/45/59/89/836455989.db2.gz LISLWMAYTFLJQN-GFCCVEGCSA-N 1 2 276.340 0.994 20 30 CCEDLO C=CC[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(=O)OC ZINC001169836465 836455995 /nfs/dbraw/zinc/45/59/95/836455995.db2.gz LISLWMAYTFLJQN-GFCCVEGCSA-N 1 2 276.340 0.994 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014292 836598395 /nfs/dbraw/zinc/59/83/95/836598395.db2.gz HPWMBATWXCGJRU-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109014365 836598501 /nfs/dbraw/zinc/59/85/01/836598501.db2.gz JIPPDWYBPFJXIZ-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109252071 836648523 /nfs/dbraw/zinc/64/85/23/836648523.db2.gz XULLEXJVKQVEMZ-SNPRPXQTSA-N 1 2 299.378 0.450 20 30 CCEDLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109252071 836648530 /nfs/dbraw/zinc/64/85/30/836648530.db2.gz XULLEXJVKQVEMZ-SNPRPXQTSA-N 1 2 299.378 0.450 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109607137 836707342 /nfs/dbraw/zinc/70/73/42/836707342.db2.gz NIDFUCUBEZUWIO-NDKCEZKHSA-N 1 2 291.395 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109607137 836707348 /nfs/dbraw/zinc/70/73/48/836707348.db2.gz NIDFUCUBEZUWIO-NDKCEZKHSA-N 1 2 291.395 0.666 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC001109865452 836739694 /nfs/dbraw/zinc/73/96/94/836739694.db2.gz QUODHTSEKXFVJN-MDZLAQPJSA-N 1 2 290.323 0.055 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC001109865452 836739701 /nfs/dbraw/zinc/73/97/01/836739701.db2.gz QUODHTSEKXFVJN-MDZLAQPJSA-N 1 2 290.323 0.055 20 30 CCEDLO C=C(CC(=O)OCCCC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001184312544 844200317 /nfs/dbraw/zinc/20/03/17/844200317.db2.gz UYLCQFUUNOSEGL-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C=C(CC(=O)OCCCC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001184312544 844200327 /nfs/dbraw/zinc/20/03/27/844200327.db2.gz UYLCQFUUNOSEGL-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001112628954 836832104 /nfs/dbraw/zinc/83/21/04/836832104.db2.gz IETOKQBAIBACEY-UHFFFAOYSA-N 1 2 253.371 0.963 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113082427 837018946 /nfs/dbraw/zinc/01/89/46/837018946.db2.gz RPDRKENNFWVOCD-WDEREUQCSA-N 1 2 299.338 0.550 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001113126197 837030970 /nfs/dbraw/zinc/03/09/70/837030970.db2.gz BOLUDZGGXJQTRN-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC001113179883 837047495 /nfs/dbraw/zinc/04/74/95/837047495.db2.gz VARPZYHFMOJHGW-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113229898 837062862 /nfs/dbraw/zinc/06/28/62/837062862.db2.gz SVQYCCYGRULMCL-ZIAGYGMSSA-N 1 2 291.399 0.881 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 ZINC001113368948 837102529 /nfs/dbraw/zinc/10/25/29/837102529.db2.gz ZQPDJEMBYQNAAS-LBPRGKRZSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC001113370207 837102797 /nfs/dbraw/zinc/10/27/97/837102797.db2.gz XPRRWXJBUGHMAZ-UHFFFAOYSA-N 1 2 288.351 0.142 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)COC)CC1 ZINC001113484998 837131390 /nfs/dbraw/zinc/13/13/90/837131390.db2.gz YVXMRHCXWORZGE-CYBMUJFWSA-N 1 2 252.358 0.827 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)cn1 ZINC001113644883 837186416 /nfs/dbraw/zinc/18/64/16/837186416.db2.gz MDYSBJACLVERDW-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC001113656574 837190045 /nfs/dbraw/zinc/19/00/45/837190045.db2.gz MTEOSXJPFYMQIT-LBPRGKRZSA-N 1 2 291.351 0.728 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001113682493 837194476 /nfs/dbraw/zinc/19/44/76/837194476.db2.gz DRYNXKZBCABWIK-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC001113734687 837209982 /nfs/dbraw/zinc/20/99/82/837209982.db2.gz WUYSKVQRRHOKJD-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nonc2C)cc1 ZINC001132215994 838338626 /nfs/dbraw/zinc/33/86/26/838338626.db2.gz VENPGCRSSWIHRB-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCCF)C[N@@H+]1CC(=O)NCC#N ZINC001132232171 838341300 /nfs/dbraw/zinc/34/13/00/838341300.db2.gz ROZPRKXLKPEQMT-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCCF)C[N@H+]1CC(=O)NCC#N ZINC001132232171 838341308 /nfs/dbraw/zinc/34/13/08/838341308.db2.gz ROZPRKXLKPEQMT-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC001132432720 838395404 /nfs/dbraw/zinc/39/54/04/838395404.db2.gz FVZUFHAYWGMVED-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC001132432720 838395408 /nfs/dbraw/zinc/39/54/08/838395408.db2.gz FVZUFHAYWGMVED-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)NCC#N ZINC001136052949 839509748 /nfs/dbraw/zinc/50/97/48/839509748.db2.gz YTADKWKXQLDFJX-RYUDHWBXSA-N 1 2 277.372 0.749 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C3CC3)C2)nn1 ZINC001185820603 844465649 /nfs/dbraw/zinc/46/56/49/844465649.db2.gz DRVDBMADVCBHEJ-CQSZACIVSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(F)F)C2)nn1 ZINC001185822335 844465751 /nfs/dbraw/zinc/46/57/51/844465751.db2.gz RGUYGACQVZCJJY-NSHDSACASA-N 1 2 297.309 0.430 20 30 CCEDLO C=CC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001144019360 839914711 /nfs/dbraw/zinc/91/47/11/839914711.db2.gz CACGFCLXHCTYOV-QWRGUYRKSA-N 1 2 254.330 0.514 20 30 CCEDLO C=CC[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001144019360 839914720 /nfs/dbraw/zinc/91/47/20/839914720.db2.gz CACGFCLXHCTYOV-QWRGUYRKSA-N 1 2 254.330 0.514 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001144408921 840035677 /nfs/dbraw/zinc/03/56/77/840035677.db2.gz DGBUAAOLSVMCOJ-LBPRGKRZSA-N 1 2 296.396 0.550 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001144408921 840035686 /nfs/dbraw/zinc/03/56/86/840035686.db2.gz DGBUAAOLSVMCOJ-LBPRGKRZSA-N 1 2 296.396 0.550 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144402214 840037363 /nfs/dbraw/zinc/03/73/63/840037363.db2.gz HYATUXNXXWCWQL-JTQLQIEISA-N 1 2 278.337 0.707 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(N)=O)nc2)cc1 ZINC001171256500 840215806 /nfs/dbraw/zinc/21/58/06/840215806.db2.gz KEWCFMUKTMUOMQ-UHFFFAOYSA-N 1 2 283.291 0.316 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 ZINC001147291166 840551387 /nfs/dbraw/zinc/55/13/87/840551387.db2.gz LBSSTPDFPJJDCC-UHFFFAOYSA-N 1 2 274.364 0.913 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 ZINC001147291166 840551389 /nfs/dbraw/zinc/55/13/89/840551389.db2.gz LBSSTPDFPJJDCC-UHFFFAOYSA-N 1 2 274.364 0.913 20 30 CCEDLO CCN(C)c1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]cc1C ZINC001171360862 840947536 /nfs/dbraw/zinc/94/75/36/840947536.db2.gz XMHQVGPGUZLGTN-UWVGGRQHSA-N 1 2 279.344 0.889 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001098344972 840964937 /nfs/dbraw/zinc/96/49/37/840964937.db2.gz ZSACBXACAVHVFE-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001098344972 840964940 /nfs/dbraw/zinc/96/49/40/840964940.db2.gz ZSACBXACAVHVFE-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(C)=O)c1nccn12 ZINC001092339830 841011699 /nfs/dbraw/zinc/01/16/99/841011699.db2.gz NNEPVZNWZXUJSA-LBPRGKRZSA-N 1 2 258.325 0.498 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001093513857 841299250 /nfs/dbraw/zinc/29/92/50/841299250.db2.gz VEBOGTYDJYKWHX-CYBMUJFWSA-N 1 2 294.395 0.901 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001186975676 844630033 /nfs/dbraw/zinc/63/00/33/844630033.db2.gz PFZSRKKVUBKYTL-GHMZBOCLSA-N 1 2 297.318 0.964 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#N)C1 ZINC001036866371 841439758 /nfs/dbraw/zinc/43/97/58/841439758.db2.gz DLAFNVQMIXJPOW-GXTWGEPZSA-N 1 2 287.367 0.409 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC3(C)C)nn2)C1 ZINC001094284964 841597904 /nfs/dbraw/zinc/59/79/04/841597904.db2.gz XPRMBPNPCJPICV-CYBMUJFWSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001094330933 841606049 /nfs/dbraw/zinc/60/60/49/841606049.db2.gz XUOUYHJFYZWDTO-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#N)C1 ZINC001036879291 841642572 /nfs/dbraw/zinc/64/25/72/841642572.db2.gz KUQRHFOAPWBGOR-GXTWGEPZSA-N 1 2 287.367 0.707 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cn2cc[nH+]c2)nc1 ZINC001094472396 841644036 /nfs/dbraw/zinc/64/40/36/841644036.db2.gz ZTOJFJBPKFGDQJ-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036907433 841683320 /nfs/dbraw/zinc/68/33/20/841683320.db2.gz WSWGBSMZCYEYGR-QWHCGFSZSA-N 1 2 273.340 0.329 20 30 CCEDLO CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095242191 842123332 /nfs/dbraw/zinc/12/33/32/842123332.db2.gz IAPHBTVZHKZFKV-CBBWQLFWSA-N 1 2 275.396 0.825 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)C(=O)OC ZINC001173752158 842147263 /nfs/dbraw/zinc/14/72/63/842147263.db2.gz OLRSMZRVQKCBDG-UTUOFQBUSA-N 1 2 277.328 0.311 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cccnc2OC)CC1 ZINC001176240767 842341009 /nfs/dbraw/zinc/34/10/09/842341009.db2.gz VMFKYDVUANVPDD-UHFFFAOYSA-N 1 2 275.352 0.963 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 ZINC001176894654 842456206 /nfs/dbraw/zinc/45/62/06/842456206.db2.gz ROQQQXUQAJNZJH-KGLIPLIRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 ZINC001176894654 842456211 /nfs/dbraw/zinc/45/62/11/842456211.db2.gz ROQQQXUQAJNZJH-KGLIPLIRSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176989549 842480694 /nfs/dbraw/zinc/48/06/94/842480694.db2.gz UCIXNDDBPNCNFC-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176989549 842480700 /nfs/dbraw/zinc/48/07/00/842480700.db2.gz UCIXNDDBPNCNFC-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177024801 842485047 /nfs/dbraw/zinc/48/50/47/842485047.db2.gz KTWIFUGFADGYCQ-UONOGXRCSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177024801 842485052 /nfs/dbraw/zinc/48/50/52/842485052.db2.gz KTWIFUGFADGYCQ-UONOGXRCSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177024802 842485696 /nfs/dbraw/zinc/48/56/96/842485696.db2.gz KTWIFUGFADGYCQ-ZIAGYGMSSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177024802 842485701 /nfs/dbraw/zinc/48/57/01/842485701.db2.gz KTWIFUGFADGYCQ-ZIAGYGMSSA-N 1 2 296.411 0.883 20 30 CCEDLO C[NH+](C)[C@H](C(=O)NCCCNCC#N)c1cccnc1 ZINC001177064373 842498316 /nfs/dbraw/zinc/49/83/16/842498316.db2.gz OERUEEOEDBGXDF-ZDUSSCGKSA-N 1 2 275.356 0.304 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2nncn2C)CC1 ZINC001177426374 842567289 /nfs/dbraw/zinc/56/72/89/842567289.db2.gz BFBASSRBENJSLF-UHFFFAOYSA-N 1 2 263.345 0.078 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110236958 843162800 /nfs/dbraw/zinc/16/28/00/843162800.db2.gz YKYWCVNLJNUSPK-NSHDSACASA-N 1 2 288.351 0.884 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1 ZINC001180490478 843182200 /nfs/dbraw/zinc/18/22/00/843182200.db2.gz DSFVKEWWVGEVIT-SNVBAGLBSA-N 1 2 266.263 0.630 20 30 CCEDLO C[C@@H](C(=O)N=C(N)c1ccc(C(N)=O)cc1)[NH+]1CCCC1 ZINC001180581903 843207175 /nfs/dbraw/zinc/20/71/75/843207175.db2.gz GBVMXAWOWNLAPR-JTQLQIEISA-N 1 2 288.351 0.502 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763641 843295547 /nfs/dbraw/zinc/29/55/47/843295547.db2.gz XLFRUQAFEUYQOE-YPMHNXCESA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763641 843295560 /nfs/dbraw/zinc/29/55/60/843295560.db2.gz XLFRUQAFEUYQOE-YPMHNXCESA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763639 843297073 /nfs/dbraw/zinc/29/70/73/843297073.db2.gz XLFRUQAFEUYQOE-DGCLKSJQSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763639 843297082 /nfs/dbraw/zinc/29/70/82/843297082.db2.gz XLFRUQAFEUYQOE-DGCLKSJQSA-N 1 2 253.346 0.762 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182215578 843757472 /nfs/dbraw/zinc/75/74/72/843757472.db2.gz WTZXIYXTDJQNOX-BXUZGUMPSA-N 1 2 294.355 0.396 20 30 CCEDLO COCC#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718687 843893890 /nfs/dbraw/zinc/89/38/90/843893890.db2.gz JNOIZXXSBBZPTA-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001182718687 843893897 /nfs/dbraw/zinc/89/38/97/843893897.db2.gz JNOIZXXSBBZPTA-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001188310193 844863061 /nfs/dbraw/zinc/86/30/61/844863061.db2.gz QYNYMJYKQQUFCH-GHMZBOCLSA-N 1 2 296.396 0.820 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189372541 845117942 /nfs/dbraw/zinc/11/79/42/845117942.db2.gz YHYLNBJRLCUZGO-CYBMUJFWSA-N 1 2 279.340 0.910 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189372541 845117949 /nfs/dbraw/zinc/11/79/49/845117949.db2.gz YHYLNBJRLCUZGO-CYBMUJFWSA-N 1 2 279.340 0.910 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC001190755259 845471989 /nfs/dbraw/zinc/47/19/89/845471989.db2.gz NQMJPRSMLVENRR-JTQLQIEISA-N 1 2 270.358 0.338 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ncc[nH]1 ZINC001190755259 845471993 /nfs/dbraw/zinc/47/19/93/845471993.db2.gz NQMJPRSMLVENRR-JTQLQIEISA-N 1 2 270.358 0.338 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192518725 845863665 /nfs/dbraw/zinc/86/36/65/845863665.db2.gz XSAUGQVLCDGDCD-MGPQQGTHSA-N 1 2 282.384 0.234 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192518725 845863672 /nfs/dbraw/zinc/86/36/72/845863672.db2.gz XSAUGQVLCDGDCD-MGPQQGTHSA-N 1 2 282.384 0.234 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192518723 845864698 /nfs/dbraw/zinc/86/46/98/845864698.db2.gz XSAUGQVLCDGDCD-BFHYXJOUSA-N 1 2 282.384 0.234 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192518723 845864701 /nfs/dbraw/zinc/86/47/01/845864701.db2.gz XSAUGQVLCDGDCD-BFHYXJOUSA-N 1 2 282.384 0.234 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001193001803 845951690 /nfs/dbraw/zinc/95/16/90/845951690.db2.gz WQHPJCNZLWHQBU-UHFFFAOYSA-N 1 2 290.348 0.874 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC001193173192 845996881 /nfs/dbraw/zinc/99/68/81/845996881.db2.gz KMLMLLVIANNFQR-SECBINFHSA-N 1 2 263.338 0.252 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193185328 846029020 /nfs/dbraw/zinc/02/90/20/846029020.db2.gz HWHKBXHOTSLSEE-SNVBAGLBSA-N 1 2 298.368 0.566 20 30 CCEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCOCC1 ZINC001194369120 846276257 /nfs/dbraw/zinc/27/62/57/846276257.db2.gz JAUOHCRYIUSWKW-NSHDSACASA-N 1 2 257.330 0.625 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321147 846493200 /nfs/dbraw/zinc/49/32/00/846493200.db2.gz DRXCUTUXLJQJPM-STQMWFEESA-N 1 2 292.383 0.371 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321147 846493208 /nfs/dbraw/zinc/49/32/08/846493208.db2.gz DRXCUTUXLJQJPM-STQMWFEESA-N 1 2 292.383 0.371 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2coc(C)n2)CC1 ZINC001195621046 846588320 /nfs/dbraw/zinc/58/83/20/846588320.db2.gz UJMQRRDXBXZWQD-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2coc(C)n2)CC1 ZINC001195621046 846588331 /nfs/dbraw/zinc/58/83/31/846588331.db2.gz UJMQRRDXBXZWQD-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196009684 846664745 /nfs/dbraw/zinc/66/47/45/846664745.db2.gz DGVWSPVWVNMFQB-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196009684 846664752 /nfs/dbraw/zinc/66/47/52/846664752.db2.gz DGVWSPVWVNMFQB-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001196560944 846775838 /nfs/dbraw/zinc/77/58/38/846775838.db2.gz XJWNWCKMMVIUBK-MGPQQGTHSA-N 1 2 282.384 0.090 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001196560944 846775842 /nfs/dbraw/zinc/77/58/42/846775842.db2.gz XJWNWCKMMVIUBK-MGPQQGTHSA-N 1 2 282.384 0.090 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001196984459 846826764 /nfs/dbraw/zinc/82/67/64/846826764.db2.gz DZCMYDJSQROLFF-UHFFFAOYSA-N 1 2 296.371 0.072 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001196984459 846826768 /nfs/dbraw/zinc/82/67/68/846826768.db2.gz DZCMYDJSQROLFF-UHFFFAOYSA-N 1 2 296.371 0.072 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001198324650 847085317 /nfs/dbraw/zinc/08/53/17/847085317.db2.gz VQMKYFOCTSATTH-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001198324650 847085325 /nfs/dbraw/zinc/08/53/25/847085325.db2.gz VQMKYFOCTSATTH-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ncc(C)cn23)CC1 ZINC001198383827 847100367 /nfs/dbraw/zinc/10/03/67/847100367.db2.gz UTAMINPEPYDRAS-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110533348 847335989 /nfs/dbraw/zinc/33/59/89/847335989.db2.gz RBMRKZNSFGQAEB-UPJWGTAASA-N 1 2 277.368 0.113 20 30 CCEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110533348 847336002 /nfs/dbraw/zinc/33/60/02/847336002.db2.gz RBMRKZNSFGQAEB-UPJWGTAASA-N 1 2 277.368 0.113 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nnc(C)o1)CC2 ZINC001273792018 847465587 /nfs/dbraw/zinc/46/55/87/847465587.db2.gz GBEUMFLICOLIIH-GFCCVEGCSA-N 1 2 288.351 0.730 20 30 CCEDLO C=CCN1CCC2(CC[NH+](Cc3nncn3C)CC2)C1=O ZINC001273822655 847595691 /nfs/dbraw/zinc/59/56/91/847595691.db2.gz SYGWOBJZUZQSSZ-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@@H](O)C(C)C)C2)OCC1=O ZINC001273895481 847781751 /nfs/dbraw/zinc/78/17/51/847781751.db2.gz QUWVEUHCLZBLCE-CYBMUJFWSA-N 1 2 282.384 0.493 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)OC ZINC001273931618 847861813 /nfs/dbraw/zinc/86/18/13/847861813.db2.gz PMYRCOVAIGSVQM-CQSZACIVSA-N 1 2 264.325 0.250 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC ZINC001273931618 847861826 /nfs/dbraw/zinc/86/18/26/847861826.db2.gz PMYRCOVAIGSVQM-CQSZACIVSA-N 1 2 264.325 0.250 20 30 CCEDLO COC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001273931792 847861843 /nfs/dbraw/zinc/86/18/43/847861843.db2.gz UTBYRSHPRYYXJI-GFCCVEGCSA-N 1 2 293.367 0.681 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](COCCOC)C2)OCC1=O ZINC001273990794 848211956 /nfs/dbraw/zinc/21/19/56/848211956.db2.gz SAHKXKMRBXUWLQ-AWEZNQCLSA-N 1 2 284.356 0.096 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](COCCOC)C2)OCC1=O ZINC001273990794 848211959 /nfs/dbraw/zinc/21/19/59/848211959.db2.gz SAHKXKMRBXUWLQ-AWEZNQCLSA-N 1 2 284.356 0.096 20 30 CCEDLO COCCCN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274042428 848317763 /nfs/dbraw/zinc/31/77/63/848317763.db2.gz GIOUKRCZNCGWFT-UHFFFAOYSA-N 1 2 295.383 0.630 20 30 CCEDLO CN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274046259 848321433 /nfs/dbraw/zinc/32/14/33/848321433.db2.gz UEJAHJYBQTXQAF-VXGBXAGGSA-N 1 2 257.284 0.884 20 30 CCEDLO CN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274046259 848321439 /nfs/dbraw/zinc/32/14/39/848321439.db2.gz UEJAHJYBQTXQAF-VXGBXAGGSA-N 1 2 257.284 0.884 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CC(C)(C)O)C2)OCC1=O ZINC001274593971 848515091 /nfs/dbraw/zinc/51/50/91/848515091.db2.gz VXCQMEJFYWLMHO-UHFFFAOYSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)O)C[C@@]2(F)C1=O ZINC001274593188 848515245 /nfs/dbraw/zinc/51/52/45/848515245.db2.gz JVHXGTJKDKBGMF-QWHCGFSZSA-N 1 2 274.311 0.518 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](CC(C)(C)O)C[C@@]2(F)C1=O ZINC001274593188 848515251 /nfs/dbraw/zinc/51/52/51/848515251.db2.gz JVHXGTJKDKBGMF-QWHCGFSZSA-N 1 2 274.311 0.518 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001275115897 848642169 /nfs/dbraw/zinc/64/21/69/848642169.db2.gz SCOYZRPFKOTYKC-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001275115897 848642172 /nfs/dbraw/zinc/64/21/72/848642172.db2.gz SCOYZRPFKOTYKC-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001275135744 848646231 /nfs/dbraw/zinc/64/62/31/848646231.db2.gz MJZBZEBXQBWKHY-TVQRCGJNSA-N 1 2 282.344 0.299 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CC(F)(F)F)C1 ZINC001276027671 848895263 /nfs/dbraw/zinc/89/52/63/848895263.db2.gz GPSDWGPSXAVGFD-UHFFFAOYSA-N 1 2 278.274 0.515 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2CC(F)(F)C2)C1 ZINC001276037861 848904599 /nfs/dbraw/zinc/90/45/99/848904599.db2.gz OLLVTTNCWIOSEA-UHFFFAOYSA-N 1 2 286.322 0.608 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC23CC3)C1 ZINC001276088976 848920539 /nfs/dbraw/zinc/92/05/39/848920539.db2.gz UWSFXUSYXDRDQT-GFCCVEGCSA-N 1 2 264.369 0.916 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)C(C)(C)C)C1 ZINC001276100990 848927450 /nfs/dbraw/zinc/92/74/50/848927450.db2.gz KZBSOTZEQJMLJV-UHFFFAOYSA-N 1 2 284.400 0.788 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1cnc(C#N)cn1 ZINC001095617324 848999568 /nfs/dbraw/zinc/99/95/68/848999568.db2.gz CNUMSKDCGPMDCG-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110936341 849030047 /nfs/dbraw/zinc/03/00/47/849030047.db2.gz IMBYLHXMGQFYJO-LOWDOPEQSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110936341 849030054 /nfs/dbraw/zinc/03/00/54/849030054.db2.gz IMBYLHXMGQFYJO-LOWDOPEQSA-N 1 2 279.384 0.796 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000687624484 849131675 /nfs/dbraw/zinc/13/16/75/849131675.db2.gz NZOPICAZESFUFW-LLVKDONJSA-N 1 2 253.346 0.451 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687624484 849131682 /nfs/dbraw/zinc/13/16/82/849131682.db2.gz NZOPICAZESFUFW-LLVKDONJSA-N 1 2 253.346 0.451 20 30 CCEDLO C=CCC[C@H](C)[NH+]1CC(N2CCS(=O)(=O)CC2)C1 ZINC001258735560 849512877 /nfs/dbraw/zinc/51/28/77/849512877.db2.gz WGKZOTWCYJSOOT-LBPRGKRZSA-N 1 2 272.414 0.756 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001038680457 849575752 /nfs/dbraw/zinc/57/57/52/849575752.db2.gz UDTJUDLICNQRJG-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001038680457 849575755 /nfs/dbraw/zinc/57/57/55/849575755.db2.gz UDTJUDLICNQRJG-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038631568 849740616 /nfs/dbraw/zinc/74/06/16/849740616.db2.gz LCNDLVVBOLIIFF-DGCLKSJQSA-N 1 2 288.351 0.699 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038631568 849740621 /nfs/dbraw/zinc/74/06/21/849740621.db2.gz LCNDLVVBOLIIFF-DGCLKSJQSA-N 1 2 288.351 0.699 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001038264230 849834679 /nfs/dbraw/zinc/83/46/79/849834679.db2.gz ZVKKNJRZYGUOFX-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001038264230 849834684 /nfs/dbraw/zinc/83/46/84/849834684.db2.gz ZVKKNJRZYGUOFX-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001038315657 849847849 /nfs/dbraw/zinc/84/78/49/849847849.db2.gz SVSZAYZQZBTDMO-MRVPVSSYSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001038315657 849847854 /nfs/dbraw/zinc/84/78/54/849847854.db2.gz SVSZAYZQZBTDMO-MRVPVSSYSA-N 1 2 297.156 0.610 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001038350739 849859558 /nfs/dbraw/zinc/85/95/58/849859558.db2.gz NQQPABLPUNGOLQ-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 ZINC001038350739 849859568 /nfs/dbraw/zinc/85/95/68/849859568.db2.gz NQQPABLPUNGOLQ-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001038412211 849884895 /nfs/dbraw/zinc/88/48/95/849884895.db2.gz VNHIOHIHZSVHHC-GFCCVEGCSA-N 1 2 288.351 0.241 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001038412211 849884898 /nfs/dbraw/zinc/88/48/98/849884898.db2.gz VNHIOHIHZSVHHC-GFCCVEGCSA-N 1 2 288.351 0.241 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001038462537 849913955 /nfs/dbraw/zinc/91/39/55/849913955.db2.gz KEQZHIGUQHBXGG-NSHDSACASA-N 1 2 287.319 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001038462537 849913968 /nfs/dbraw/zinc/91/39/68/849913968.db2.gz KEQZHIGUQHBXGG-NSHDSACASA-N 1 2 287.319 0.290 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038690433 849984847 /nfs/dbraw/zinc/98/48/47/849984847.db2.gz KQQFQFNUTXCMGX-GFCCVEGCSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038690433 849984850 /nfs/dbraw/zinc/98/48/50/849984850.db2.gz KQQFQFNUTXCMGX-GFCCVEGCSA-N 1 2 297.362 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038768475 850010650 /nfs/dbraw/zinc/01/06/50/850010650.db2.gz ORITURGWMJZTGJ-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038768475 850010657 /nfs/dbraw/zinc/01/06/57/850010657.db2.gz ORITURGWMJZTGJ-ZDUSSCGKSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038810116 850024384 /nfs/dbraw/zinc/02/43/84/850024384.db2.gz DOWXGKYUCWVACG-GFCCVEGCSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038810116 850024388 /nfs/dbraw/zinc/02/43/88/850024388.db2.gz DOWXGKYUCWVACG-GFCCVEGCSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc2ccccn2c1F ZINC001038880525 850064778 /nfs/dbraw/zinc/06/47/78/850064778.db2.gz GNLPUZZUNAEZAT-NSHDSACASA-N 1 2 286.310 0.911 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2ccccn2c1F ZINC001038880525 850064788 /nfs/dbraw/zinc/06/47/88/850064788.db2.gz GNLPUZZUNAEZAT-NSHDSACASA-N 1 2 286.310 0.911 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001038900559 850073240 /nfs/dbraw/zinc/07/32/40/850073240.db2.gz WJIJPMRBQGZJMN-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001038900559 850073248 /nfs/dbraw/zinc/07/32/48/850073248.db2.gz WJIJPMRBQGZJMN-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1OCC ZINC001038975931 850108434 /nfs/dbraw/zinc/10/84/34/850108434.db2.gz KKZMATZFRXQAPO-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1OCC ZINC001038975931 850108443 /nfs/dbraw/zinc/10/84/43/850108443.db2.gz KKZMATZFRXQAPO-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001039006433 850117116 /nfs/dbraw/zinc/11/71/16/850117116.db2.gz QYVYQTQHMUEHJU-GFCCVEGCSA-N 1 2 288.351 0.091 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001039006433 850117127 /nfs/dbraw/zinc/11/71/27/850117127.db2.gz QYVYQTQHMUEHJU-GFCCVEGCSA-N 1 2 288.351 0.091 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001039013898 850122053 /nfs/dbraw/zinc/12/20/53/850122053.db2.gz VWZDVWDYSNKFLK-AWEZNQCLSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001039013898 850122059 /nfs/dbraw/zinc/12/20/59/850122059.db2.gz VWZDVWDYSNKFLK-AWEZNQCLSA-N 1 2 296.334 0.100 20 30 CCEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC001043133322 850818152 /nfs/dbraw/zinc/81/81/52/850818152.db2.gz RLNJJGKUQAPFAK-NSHDSACASA-N 1 2 273.340 0.112 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001043128719 850818757 /nfs/dbraw/zinc/81/87/57/850818757.db2.gz PRGACXPVDQAGPT-UHFFFAOYSA-N 1 2 292.383 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001043140818 850821367 /nfs/dbraw/zinc/82/13/67/850821367.db2.gz RECXYFODRFTWAU-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCN1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001043328433 850849604 /nfs/dbraw/zinc/84/96/04/850849604.db2.gz NRCWZRKDAHAAQU-UHFFFAOYSA-N 1 2 268.320 0.724 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cncnc2)C1 ZINC001043617964 850908823 /nfs/dbraw/zinc/90/88/23/850908823.db2.gz UOJLEOCGJHGIBA-LBPRGKRZSA-N 1 2 272.352 0.746 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C)n2C)C1 ZINC001043638370 850915560 /nfs/dbraw/zinc/91/55/60/850915560.db2.gz ODIGJXOLAIAQHT-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001043834223 850945890 /nfs/dbraw/zinc/94/58/90/850945890.db2.gz KHLXAKUZRWASHJ-ZDUSSCGKSA-N 1 2 277.368 0.211 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001043940755 850968773 /nfs/dbraw/zinc/96/87/73/850968773.db2.gz YLGBZMNRECXJAI-WCQYABFASA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001043980446 850977265 /nfs/dbraw/zinc/97/72/65/850977265.db2.gz QBTHCVKCIGGIBZ-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CCOC)C2)nn1 ZINC001044027725 850987718 /nfs/dbraw/zinc/98/77/18/850987718.db2.gz JCJJHBDZVLNWRW-UHFFFAOYSA-N 1 2 293.371 0.257 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044190303 851038217 /nfs/dbraw/zinc/03/82/17/851038217.db2.gz FJEUVIAGPQWRGJ-UHFFFAOYSA-N 1 2 260.341 0.129 20 30 CCEDLO C=C(Cl)CN1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044364076 851084310 /nfs/dbraw/zinc/08/43/10/851084310.db2.gz GTNGDOJYZYAGBY-UHFFFAOYSA-N 1 2 268.748 0.778 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819806 851163089 /nfs/dbraw/zinc/16/30/89/851163089.db2.gz BAQBVQJSFQZCRB-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046020718 851354536 /nfs/dbraw/zinc/35/45/36/851354536.db2.gz XBZGGJPEXUTWBB-ZIAGYGMSSA-N 1 2 290.411 0.775 20 30 CCEDLO CC[C@H](F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046053952 851360276 /nfs/dbraw/zinc/36/02/76/851360276.db2.gz HSQJVXJBKPQVJG-STQMWFEESA-N 1 2 282.363 0.477 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046065463 851360447 /nfs/dbraw/zinc/36/04/47/851360447.db2.gz PTTKUHWKSDTXGW-RBSFLKMASA-N 1 2 290.411 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277091 851449131 /nfs/dbraw/zinc/44/91/31/851449131.db2.gz DDWDRUGFTFTTNO-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277091 851449135 /nfs/dbraw/zinc/44/91/35/851449135.db2.gz DDWDRUGFTFTTNO-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273361 851449151 /nfs/dbraw/zinc/44/91/51/851449151.db2.gz WSRAFVHQMZONDG-AWEZNQCLSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273361 851449154 /nfs/dbraw/zinc/44/91/54/851449154.db2.gz WSRAFVHQMZONDG-AWEZNQCLSA-N 1 2 299.802 0.798 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(CC#N)C1 ZINC001046634220 851572795 /nfs/dbraw/zinc/57/27/95/851572795.db2.gz CVKSZCDSUGRXDD-LALPHHSUSA-N 1 2 287.367 0.628 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047269831 851685820 /nfs/dbraw/zinc/68/58/20/851685820.db2.gz KDNPHKSBNIXIIX-STQMWFEESA-N 1 2 279.365 0.643 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047269831 851685822 /nfs/dbraw/zinc/68/58/22/851685822.db2.gz KDNPHKSBNIXIIX-STQMWFEESA-N 1 2 279.365 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)ccn2)C1 ZINC001047393341 851749555 /nfs/dbraw/zinc/74/95/55/851749555.db2.gz PRYKKONPYZBJFN-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)ccn2)C1 ZINC001047393341 851749558 /nfs/dbraw/zinc/74/95/58/851749558.db2.gz PRYKKONPYZBJFN-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001047419419 851756671 /nfs/dbraw/zinc/75/66/71/851756671.db2.gz LEKTYNOUNFHXAS-KBPBESRZSA-N 1 2 298.346 0.265 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001047419419 851756677 /nfs/dbraw/zinc/75/66/77/851756677.db2.gz LEKTYNOUNFHXAS-KBPBESRZSA-N 1 2 298.346 0.265 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001047588527 851828383 /nfs/dbraw/zinc/82/83/83/851828383.db2.gz XTGSAEGBJCIWJW-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001047588527 851828394 /nfs/dbraw/zinc/82/83/94/851828394.db2.gz XTGSAEGBJCIWJW-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO Cc1nc(N(C)C)nc(N[C@@H](C)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001097740980 852598619 /nfs/dbraw/zinc/59/86/19/852598619.db2.gz PWGQNNOLIYJBSY-IUCAKERBSA-N 1 2 291.359 0.322 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001097805066 852620985 /nfs/dbraw/zinc/62/09/85/852620985.db2.gz GQJPBBHWILWKQL-UTUOFQBUSA-N 1 2 277.368 0.550 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001097805066 852620990 /nfs/dbraw/zinc/62/09/90/852620990.db2.gz GQJPBBHWILWKQL-UTUOFQBUSA-N 1 2 277.368 0.550 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 ZINC001053210333 852710984 /nfs/dbraw/zinc/71/09/84/852710984.db2.gz BHDPHHWZUHEJIS-UHFFFAOYSA-N 1 2 288.351 0.823 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1[C@@H]3COC[C@@H]31)O2 ZINC001053647170 852772375 /nfs/dbraw/zinc/77/23/75/852772375.db2.gz ODVHNBXUYRQAQQ-IGQOVBAYSA-N 1 2 292.379 0.414 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnccn1)CO2 ZINC001053725334 852791236 /nfs/dbraw/zinc/79/12/36/852791236.db2.gz DWULTEHVGZXSLM-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)on1)CO2 ZINC001053732422 852792126 /nfs/dbraw/zinc/79/21/26/852792126.db2.gz UDXHCADPIHCUKH-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnns1)CO2 ZINC001053747451 852801478 /nfs/dbraw/zinc/80/14/78/852801478.db2.gz YMPSSCLXWSIPSN-SNVBAGLBSA-N 1 2 292.364 0.135 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053766707 852812892 /nfs/dbraw/zinc/81/28/92/852812892.db2.gz SYOXAEMGXKQPIY-CYBMUJFWSA-N 1 2 298.346 0.483 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnn1)CO2 ZINC001053963841 852858725 /nfs/dbraw/zinc/85/87/25/852858725.db2.gz UGCHOBHAQAOIHP-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001097921629 852871497 /nfs/dbraw/zinc/87/14/97/852871497.db2.gz KQXKQTMRSQEMNR-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054636210 852986230 /nfs/dbraw/zinc/98/62/30/852986230.db2.gz JOCMPPRJKCGOTH-GXFFZTMASA-N 1 2 288.351 0.728 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cncc(C#N)n1 ZINC001097955075 852996962 /nfs/dbraw/zinc/99/69/62/852996962.db2.gz CKWRUGRDNYZTIE-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050068682 853307265 /nfs/dbraw/zinc/30/72/65/853307265.db2.gz DXSAZDGWDMKBCW-KYEXWDHISA-N 1 2 299.378 0.960 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050068682 853307273 /nfs/dbraw/zinc/30/72/73/853307273.db2.gz DXSAZDGWDMKBCW-KYEXWDHISA-N 1 2 299.378 0.960 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C)n1 ZINC001050892145 853477981 /nfs/dbraw/zinc/47/79/81/853477981.db2.gz RTZAPGAMZFOXJX-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C)n1 ZINC001050892145 853477984 /nfs/dbraw/zinc/47/79/84/853477984.db2.gz RTZAPGAMZFOXJX-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CCC)c1 ZINC001051106896 853525786 /nfs/dbraw/zinc/52/57/86/853525786.db2.gz QGKJTZIDWLXWQJ-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CCC)c1 ZINC001051106896 853525790 /nfs/dbraw/zinc/52/57/90/853525790.db2.gz QGKJTZIDWLXWQJ-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001051124687 853529183 /nfs/dbraw/zinc/52/91/83/853529183.db2.gz RSZICMKVKHBUSX-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001051124687 853529190 /nfs/dbraw/zinc/52/91/90/853529190.db2.gz RSZICMKVKHBUSX-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989595 853670322 /nfs/dbraw/zinc/67/03/22/853670322.db2.gz HJIXEFWFTUBYTL-KGLIPLIRSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989595 853670325 /nfs/dbraw/zinc/67/03/25/853670325.db2.gz HJIXEFWFTUBYTL-KGLIPLIRSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001052005543 853673788 /nfs/dbraw/zinc/67/37/88/853673788.db2.gz DCIQBVGIHJYTOR-HOCLYGCPSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052067859 853681136 /nfs/dbraw/zinc/68/11/36/853681136.db2.gz PXQQCANKWKHHKB-JYJNAYRXSA-N 1 2 289.423 0.884 20 30 CCEDLO CCC1(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052079978 853681184 /nfs/dbraw/zinc/68/11/84/853681184.db2.gz SUYOCQURTDMXAZ-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001058392984 853838700 /nfs/dbraw/zinc/83/87/00/853838700.db2.gz LYTJLIMCOXSKLA-ZDUSSCGKSA-N 1 2 296.334 0.545 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069887828 853992099 /nfs/dbraw/zinc/99/20/99/853992099.db2.gz SBWUEMIODXXEAO-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069887828 853992106 /nfs/dbraw/zinc/99/21/06/853992106.db2.gz SBWUEMIODXXEAO-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NCC#N ZINC001070621226 854082606 /nfs/dbraw/zinc/08/26/06/854082606.db2.gz PYWPLDXWUXHPRS-CHWSQXEVSA-N 1 2 299.334 0.734 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001071533424 854232661 /nfs/dbraw/zinc/23/26/61/854232661.db2.gz GWUINPVXOWEMHP-ZYHUDNBSSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001071533424 854232667 /nfs/dbraw/zinc/23/26/67/854232667.db2.gz GWUINPVXOWEMHP-ZYHUDNBSSA-N 1 2 286.397 0.186 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001073124437 854533371 /nfs/dbraw/zinc/53/33/71/854533371.db2.gz MXQJRTXIAYOWPO-GFCCVEGCSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001073124437 854533377 /nfs/dbraw/zinc/53/33/77/854533377.db2.gz MXQJRTXIAYOWPO-GFCCVEGCSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001073124437 854533382 /nfs/dbraw/zinc/53/33/82/854533382.db2.gz MXQJRTXIAYOWPO-GFCCVEGCSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001073124437 854533386 /nfs/dbraw/zinc/53/33/86/854533386.db2.gz MXQJRTXIAYOWPO-GFCCVEGCSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229940 854700612 /nfs/dbraw/zinc/70/06/12/854700612.db2.gz PYLYAXMOZCYNFC-KGLIPLIRSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229940 854700616 /nfs/dbraw/zinc/70/06/16/854700616.db2.gz PYLYAXMOZCYNFC-KGLIPLIRSA-N 1 2 294.395 0.472 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235057 854700859 /nfs/dbraw/zinc/70/08/59/854700859.db2.gz CVUAFIRBTHWLDX-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235057 854700863 /nfs/dbraw/zinc/70/08/63/854700863.db2.gz CVUAFIRBTHWLDX-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074237473 854702961 /nfs/dbraw/zinc/70/29/61/854702961.db2.gz ZPVXRRWXIZLVTR-HUUCEWRRSA-N 1 2 292.379 0.084 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074237473 854702964 /nfs/dbraw/zinc/70/29/64/854702964.db2.gz ZPVXRRWXIZLVTR-HUUCEWRRSA-N 1 2 292.379 0.084 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001099404938 854933201 /nfs/dbraw/zinc/93/32/01/854933201.db2.gz KKDPNMABMIQCSN-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100334813 855150264 /nfs/dbraw/zinc/15/02/64/855150264.db2.gz VHZPIWKGOJLAQP-OLZOCXBDSA-N 1 2 290.367 0.929 20 30 CCEDLO Cc1cc(N(C)CCNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001100354291 855154471 /nfs/dbraw/zinc/15/44/71/855154471.db2.gz VCUSACKUXPIUTI-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO Cc1cc(C#N)nc(N(C)CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001100354133 855154630 /nfs/dbraw/zinc/15/46/30/855154630.db2.gz LIPJQLZONOSLOK-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO N#CCNC1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550605 855185258 /nfs/dbraw/zinc/18/52/58/855185258.db2.gz SIKJJGMPNCKYTO-UHFFFAOYSA-N 1 2 261.329 0.281 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1nccnc1C#N ZINC001100734714 855215723 /nfs/dbraw/zinc/21/57/23/855215723.db2.gz RPMGWEANWLKGND-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO Cc1cc(C#N)nc(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001101728536 855354521 /nfs/dbraw/zinc/35/45/21/855354521.db2.gz ACDKCARKRVMHHL-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021143 855408048 /nfs/dbraw/zinc/40/80/48/855408048.db2.gz DYRUYUWFTIUCKM-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021143 855408050 /nfs/dbraw/zinc/40/80/50/855408050.db2.gz DYRUYUWFTIUCKM-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001103161693 855501660 /nfs/dbraw/zinc/50/16/60/855501660.db2.gz HUORQZKAFJWJJA-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000692928626 855594456 /nfs/dbraw/zinc/59/44/56/855594456.db2.gz VKTXXLPHBQSDTC-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000692928626 855594461 /nfs/dbraw/zinc/59/44/61/855594461.db2.gz VKTXXLPHBQSDTC-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO C[C@@H](C(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001115900410 855703500 /nfs/dbraw/zinc/70/35/00/855703500.db2.gz CBKQTVQLZWUBFR-NSHDSACASA-N 1 2 284.323 0.939 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC001118085740 856155871 /nfs/dbraw/zinc/15/58/71/856155871.db2.gz JWBNYDIEIYVNAC-JTQLQIEISA-N 1 2 257.297 0.714 20 30 CCEDLO N#CCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118311767 856254129 /nfs/dbraw/zinc/25/41/29/856254129.db2.gz JVXCUNYDDSRCKO-LLVKDONJSA-N 1 2 266.345 0.136 20 30 CCEDLO N#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118311767 856254132 /nfs/dbraw/zinc/25/41/32/856254132.db2.gz JVXCUNYDDSRCKO-LLVKDONJSA-N 1 2 266.345 0.136 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001118326212 856262120 /nfs/dbraw/zinc/26/21/20/856262120.db2.gz QHMKHXFJVKNIFB-CYBMUJFWSA-N 1 2 289.379 0.165 20 30 CCEDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CC#N)C(C)(C)CO ZINC001119805711 856883704 /nfs/dbraw/zinc/88/37/04/856883704.db2.gz XSKWGUCSYSTRLA-MNOVXSKESA-N 1 2 266.345 0.344 20 30 CCEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323245406 912213902 /nfs/dbraw/zinc/21/39/02/912213902.db2.gz DWIXMYZHARPYDR-KFWWJZLASA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323245406 912213924 /nfs/dbraw/zinc/21/39/24/912213924.db2.gz DWIXMYZHARPYDR-KFWWJZLASA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CCc1nccn1C ZINC001323273751 912234109 /nfs/dbraw/zinc/23/41/09/912234109.db2.gz SUXZOKPTVSGDCS-GFCCVEGCSA-N 1 2 260.341 0.176 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1nccn1C ZINC001323273751 912234126 /nfs/dbraw/zinc/23/41/26/912234126.db2.gz SUXZOKPTVSGDCS-GFCCVEGCSA-N 1 2 260.341 0.176 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001323493327 912371077 /nfs/dbraw/zinc/37/10/77/912371077.db2.gz BDHVVFYRIKNZRE-RISCZKNCSA-N 1 2 286.379 0.947 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001323493326 912372499 /nfs/dbraw/zinc/37/24/99/912372499.db2.gz BDHVVFYRIKNZRE-FZMZJTMJSA-N 1 2 286.379 0.947 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](COC)OC)C1 ZINC001393114055 912405690 /nfs/dbraw/zinc/40/56/90/912405690.db2.gz LLEYGIOQEPLFIY-AAEUAGOBSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](COC)OC)C1 ZINC001393114055 912405699 /nfs/dbraw/zinc/40/56/99/912405699.db2.gz LLEYGIOQEPLFIY-AAEUAGOBSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CCC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001336930870 921111368 /nfs/dbraw/zinc/11/13/68/921111368.db2.gz MZRWCNJLZNYTKO-UHFFFAOYSA-N 1 2 275.352 0.730 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](C/C=C\Cl)C1 ZINC001393426154 912563469 /nfs/dbraw/zinc/56/34/69/912563469.db2.gz HSFLBVOTOZQGOY-KJGKVODESA-N 1 2 285.775 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](C/C=C\Cl)C1 ZINC001393426154 912563479 /nfs/dbraw/zinc/56/34/79/912563479.db2.gz HSFLBVOTOZQGOY-KJGKVODESA-N 1 2 285.775 0.842 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2ncccn2)C1 ZINC001323995551 912615653 /nfs/dbraw/zinc/61/56/53/912615653.db2.gz XFGITCHYDPBLMH-UHFFFAOYSA-N 1 2 260.341 0.738 20 30 CCEDLO O=C(C#CC1CC1)NCC1(O)C[NH+](C[C@@H]2CCCCO2)C1 ZINC001325207729 913280644 /nfs/dbraw/zinc/28/06/44/913280644.db2.gz PAZNXERNDUTCFL-AWEZNQCLSA-N 1 2 292.379 0.132 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001325218084 913287759 /nfs/dbraw/zinc/28/77/59/913287759.db2.gz WSEDKAUKWQLURM-KGLIPLIRSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCc2cccnc2)C1 ZINC001325236676 913294931 /nfs/dbraw/zinc/29/49/31/913294931.db2.gz QYMBXYGMSRTGRO-UHFFFAOYSA-N 1 2 287.363 0.200 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001325263663 913308521 /nfs/dbraw/zinc/30/85/21/913308521.db2.gz IGOSWLYVZOFHQY-ZDUSSCGKSA-N 1 2 284.400 0.931 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)(C)C=C ZINC001480869012 891442531 /nfs/dbraw/zinc/44/25/31/891442531.db2.gz AZUHJOVBDNUJGE-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)(C)C=C ZINC001480869012 891442542 /nfs/dbraw/zinc/44/25/42/891442542.db2.gz AZUHJOVBDNUJGE-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001480912265 891758587 /nfs/dbraw/zinc/75/85/87/891758587.db2.gz WEMQHQIXDCGEDO-GFCCVEGCSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001480912265 891758576 /nfs/dbraw/zinc/75/85/76/891758576.db2.gz WEMQHQIXDCGEDO-GFCCVEGCSA-N 1 2 273.764 0.313 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001408790460 892381938 /nfs/dbraw/zinc/38/19/38/892381938.db2.gz JABMLNAAFXAJAM-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C=C(C)C)C2)nn1 ZINC001105142726 892492080 /nfs/dbraw/zinc/49/20/80/892492080.db2.gz RMJZDMNSENVGGL-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001009204946 892579370 /nfs/dbraw/zinc/57/93/70/892579370.db2.gz RRYAJHPCYKKTER-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001009204946 892579379 /nfs/dbraw/zinc/57/93/79/892579379.db2.gz RRYAJHPCYKKTER-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001009204946 892579389 /nfs/dbraw/zinc/57/93/89/892579389.db2.gz RRYAJHPCYKKTER-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001009204946 892579398 /nfs/dbraw/zinc/57/93/98/892579398.db2.gz RRYAJHPCYKKTER-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CCC1 ZINC001481464955 892707292 /nfs/dbraw/zinc/70/72/92/892707292.db2.gz MMICUKSWIXFDHZ-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2nc(C)no2)C1 ZINC001481574223 892848472 /nfs/dbraw/zinc/84/84/72/892848472.db2.gz LHSDFRDOWJVOCJ-UHFFFAOYSA-N 1 2 264.329 0.687 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001481688439 893002405 /nfs/dbraw/zinc/00/24/05/893002405.db2.gz PKYZKZQNQSWVKW-OLZOCXBDSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001481688439 893002418 /nfs/dbraw/zinc/00/24/18/893002418.db2.gz PKYZKZQNQSWVKW-OLZOCXBDSA-N 1 2 290.367 0.149 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001482184954 893474874 /nfs/dbraw/zinc/47/48/74/893474874.db2.gz OUWXGAVNCKPFJW-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001482184954 893474885 /nfs/dbraw/zinc/47/48/85/893474885.db2.gz OUWXGAVNCKPFJW-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC(C)C1 ZINC001496687001 893614860 /nfs/dbraw/zinc/61/48/60/893614860.db2.gz NBCVLTBNOLJABI-UHFFFAOYSA-N 1 2 279.384 0.172 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC(C)C1 ZINC001496687001 893614871 /nfs/dbraw/zinc/61/48/71/893614871.db2.gz NBCVLTBNOLJABI-UHFFFAOYSA-N 1 2 279.384 0.172 20 30 CCEDLO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ncn[nH]1 ZINC001482500488 894162378 /nfs/dbraw/zinc/16/23/78/894162378.db2.gz VPTRVAJOEDJXCX-NWDGAFQWSA-N 1 2 275.356 0.197 20 30 CCEDLO C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CNCC#N ZINC001482499908 894162412 /nfs/dbraw/zinc/16/24/12/894162412.db2.gz RMFVRANCXNPAQW-RYUDHWBXSA-N 1 2 275.356 0.692 20 30 CCEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001075883459 894322606 /nfs/dbraw/zinc/32/26/06/894322606.db2.gz FEVFTYVAQNUCBH-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001396505742 913903949 /nfs/dbraw/zinc/90/39/49/913903949.db2.gz YVAMAWFCRYBHRY-NWDGAFQWSA-N 1 2 289.339 0.102 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C(N)=O ZINC001483380304 895522951 /nfs/dbraw/zinc/52/29/51/895522951.db2.gz BBEJKMFNFQWTRQ-SECBINFHSA-N 1 2 292.314 0.119 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C(N)=O ZINC001483380304 895522963 /nfs/dbraw/zinc/52/29/63/895522963.db2.gz BBEJKMFNFQWTRQ-SECBINFHSA-N 1 2 292.314 0.119 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001483636517 895764895 /nfs/dbraw/zinc/76/48/95/895764895.db2.gz LXDQZXFIMBBOKI-ZDUSSCGKSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001483636517 895764912 /nfs/dbraw/zinc/76/49/12/895764912.db2.gz LXDQZXFIMBBOKI-ZDUSSCGKSA-N 1 2 279.384 0.766 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001483637066 895765825 /nfs/dbraw/zinc/76/58/25/895765825.db2.gz YQBQWCNLNWSNME-LPEQCFEDSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001483637066 895765843 /nfs/dbraw/zinc/76/58/43/895765843.db2.gz YQBQWCNLNWSNME-LPEQCFEDSA-N 1 2 291.395 0.671 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccon1 ZINC001483638028 895770859 /nfs/dbraw/zinc/77/08/59/895770859.db2.gz GIUSNQZBSKYZFN-CYBMUJFWSA-N 1 2 277.324 0.057 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccon1 ZINC001483638028 895770863 /nfs/dbraw/zinc/77/08/63/895770863.db2.gz GIUSNQZBSKYZFN-CYBMUJFWSA-N 1 2 277.324 0.057 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001483673675 895832231 /nfs/dbraw/zinc/83/22/31/895832231.db2.gz SDMWWLLCRYOWRM-QWHCGFSZSA-N 1 2 270.348 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001483673675 895832234 /nfs/dbraw/zinc/83/22/34/895832234.db2.gz SDMWWLLCRYOWRM-QWHCGFSZSA-N 1 2 270.348 0.821 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCCNC2=O)C1 ZINC001483678811 895838560 /nfs/dbraw/zinc/83/85/60/895838560.db2.gz CHTYIUCBRHASBY-OLZOCXBDSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCCNC2=O)C1 ZINC001483678811 895838564 /nfs/dbraw/zinc/83/85/64/895838564.db2.gz CHTYIUCBRHASBY-OLZOCXBDSA-N 1 2 291.395 0.812 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001397110758 914049616 /nfs/dbraw/zinc/04/96/16/914049616.db2.gz NNMWQEKMQNMFOC-GMTAPVOTSA-N 1 2 291.355 0.776 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001484281918 896312173 /nfs/dbraw/zinc/31/21/73/896312173.db2.gz PHTRDXQIXOMBEK-BFHYXJOUSA-N 1 2 276.380 0.609 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCc2cnccn2)C1 ZINC001484303269 896332130 /nfs/dbraw/zinc/33/21/30/896332130.db2.gz PLANCIYRAKUNFD-UHFFFAOYSA-N 1 2 290.367 0.148 20 30 CCEDLO C[C@H](F)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631162 914064361 /nfs/dbraw/zinc/06/43/61/914064361.db2.gz ANEGQFHYYIESIU-JSGCOSHPSA-N 1 2 282.359 0.965 20 30 CCEDLO C[C@H](F)CC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631162 914064379 /nfs/dbraw/zinc/06/43/79/914064379.db2.gz ANEGQFHYYIESIU-JSGCOSHPSA-N 1 2 282.359 0.965 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484795401 896609194 /nfs/dbraw/zinc/60/91/94/896609194.db2.gz GPXDVAWDUDJIHS-QWHCGFSZSA-N 1 2 282.384 0.683 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C(N)=O ZINC001485482067 897068852 /nfs/dbraw/zinc/06/88/52/897068852.db2.gz JUHQGYZZWJTEKP-JTQLQIEISA-N 1 2 273.764 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(N)=O ZINC001485482067 897068866 /nfs/dbraw/zinc/06/88/66/897068866.db2.gz JUHQGYZZWJTEKP-JTQLQIEISA-N 1 2 273.764 0.585 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC)C2)C1 ZINC001485524818 897103177 /nfs/dbraw/zinc/10/31/77/897103177.db2.gz WWKNSMAZCZRDQA-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001326754703 914138348 /nfs/dbraw/zinc/13/83/48/914138348.db2.gz HSRXHJOBNJBWFQ-SKDRFNHKSA-N 1 2 250.302 0.633 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001326754703 914138361 /nfs/dbraw/zinc/13/83/61/914138361.db2.gz HSRXHJOBNJBWFQ-SKDRFNHKSA-N 1 2 250.302 0.633 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1C ZINC001032406592 897469897 /nfs/dbraw/zinc/46/98/97/897469897.db2.gz QXUVURFBZUVQSX-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1C ZINC001032406592 897469908 /nfs/dbraw/zinc/46/99/08/897469908.db2.gz QXUVURFBZUVQSX-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001077796763 897526042 /nfs/dbraw/zinc/52/60/42/897526042.db2.gz VAIMVGUOYNEUOZ-UKRRQHHQSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001077796763 897526052 /nfs/dbraw/zinc/52/60/52/897526052.db2.gz VAIMVGUOYNEUOZ-UKRRQHHQSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CCOCCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939991 897526706 /nfs/dbraw/zinc/52/67/06/897526706.db2.gz NFIXSQDQSANQRP-OAHLLOKOSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCOCCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939991 897526724 /nfs/dbraw/zinc/52/67/24/897526724.db2.gz NFIXSQDQSANQRP-OAHLLOKOSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001107941416 897534260 /nfs/dbraw/zinc/53/42/60/897534260.db2.gz FMQXISZELAROIK-DZGCQCFKSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001107941416 897534279 /nfs/dbraw/zinc/53/42/79/897534279.db2.gz FMQXISZELAROIK-DZGCQCFKSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001272756675 897536950 /nfs/dbraw/zinc/53/69/50/897536950.db2.gz GQWRKXXCPJBDQF-CHWSQXEVSA-N 1 2 259.309 0.873 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001272756675 897536961 /nfs/dbraw/zinc/53/69/61/897536961.db2.gz GQWRKXXCPJBDQF-CHWSQXEVSA-N 1 2 259.309 0.873 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]nc2c1 ZINC001032448419 897580111 /nfs/dbraw/zinc/58/01/11/897580111.db2.gz MEXJYBNJFAPSHE-RYUDHWBXSA-N 1 2 296.334 0.275 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]nc2c1 ZINC001032448419 897580121 /nfs/dbraw/zinc/58/01/21/897580121.db2.gz MEXJYBNJFAPSHE-RYUDHWBXSA-N 1 2 296.334 0.275 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccnc2c1 ZINC001032450481 897588836 /nfs/dbraw/zinc/58/88/36/897588836.db2.gz PTQBVVCJUQRJJB-STQMWFEESA-N 1 2 293.330 0.557 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccnc2c1 ZINC001032450481 897588847 /nfs/dbraw/zinc/58/88/47/897588847.db2.gz PTQBVVCJUQRJJB-STQMWFEESA-N 1 2 293.330 0.557 20 30 CCEDLO N#Cc1ncn(-c2ccc[nH+]c2N2CCOCC2)c1N ZINC001212352371 897651769 /nfs/dbraw/zinc/65/17/69/897651769.db2.gz XXDJCMRTSHOSOQ-UHFFFAOYSA-N 1 2 270.296 0.558 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncnc1 ZINC001032519978 897693319 /nfs/dbraw/zinc/69/33/19/897693319.db2.gz XBELRUWRAZCMFL-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncnc1 ZINC001032519978 897693326 /nfs/dbraw/zinc/69/33/26/897693326.db2.gz XBELRUWRAZCMFL-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C)C1=O ZINC001032563195 897749962 /nfs/dbraw/zinc/74/99/62/897749962.db2.gz QSLRXUDMIDCDFZ-RWMBFGLXSA-N 1 2 291.395 0.714 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001032563195 897749971 /nfs/dbraw/zinc/74/99/71/897749971.db2.gz QSLRXUDMIDCDFZ-RWMBFGLXSA-N 1 2 291.395 0.714 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncn1C ZINC001032759224 898119430 /nfs/dbraw/zinc/11/94/30/898119430.db2.gz DJTLLPRBFVUCQH-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncn1C ZINC001032759224 898119432 /nfs/dbraw/zinc/11/94/32/898119432.db2.gz DJTLLPRBFVUCQH-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001077978369 898137330 /nfs/dbraw/zinc/13/73/30/898137330.db2.gz DLUHMRZKPZZMJP-MRVWCRGKSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001077978369 898137335 /nfs/dbraw/zinc/13/73/35/898137335.db2.gz DLUHMRZKPZZMJP-MRVWCRGKSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001078216195 898301712 /nfs/dbraw/zinc/30/17/12/898301712.db2.gz BTLLDKSHDQLVCV-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001078216195 898301717 /nfs/dbraw/zinc/30/17/17/898301717.db2.gz BTLLDKSHDQLVCV-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078229698 898306839 /nfs/dbraw/zinc/30/68/39/898306839.db2.gz UQKOBBWDUJJKOR-QLFBSQMISA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078229698 898306847 /nfs/dbraw/zinc/30/68/47/898306847.db2.gz UQKOBBWDUJJKOR-QLFBSQMISA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001078229698 898306873 /nfs/dbraw/zinc/30/68/73/898306873.db2.gz UQKOBBWDUJJKOR-QLFBSQMISA-N 1 2 293.411 0.045 20 30 CCEDLO C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001485899692 898512421 /nfs/dbraw/zinc/51/24/21/898512421.db2.gz YGFMWAPFNWUCEN-LLVKDONJSA-N 1 2 271.324 0.908 20 30 CCEDLO C=CCCC(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001326959394 914295746 /nfs/dbraw/zinc/29/57/46/914295746.db2.gz XEFCAQVXCYKUAR-GFCCVEGCSA-N 1 2 296.396 0.821 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001490163856 900547499 /nfs/dbraw/zinc/54/74/99/900547499.db2.gz DGSHYMLLOSRGBI-MNOVXSKESA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001490163856 900547511 /nfs/dbraw/zinc/54/75/11/900547511.db2.gz DGSHYMLLOSRGBI-MNOVXSKESA-N 1 2 278.360 0.474 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001490448223 900624963 /nfs/dbraw/zinc/62/49/63/900624963.db2.gz ZDSAJEVSMFVDQP-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001490448223 900624970 /nfs/dbraw/zinc/62/49/70/900624970.db2.gz ZDSAJEVSMFVDQP-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001490436505 900630431 /nfs/dbraw/zinc/63/04/31/900630431.db2.gz IPSSLGSTCNFQAJ-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001490436505 900630435 /nfs/dbraw/zinc/63/04/35/900630435.db2.gz IPSSLGSTCNFQAJ-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO COC[C@H](C)[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490492298 900641075 /nfs/dbraw/zinc/64/10/75/900641075.db2.gz FSWMTPBHMDUBTK-KBPBESRZSA-N 1 2 296.415 0.162 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CC23CCC3)CC1 ZINC001490506054 900653849 /nfs/dbraw/zinc/65/38/49/900653849.db2.gz JADFTTTWCFFIAG-HNNXBMFYSA-N 1 2 289.423 0.934 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CCC)OC)C1 ZINC001490552763 900659844 /nfs/dbraw/zinc/65/98/44/900659844.db2.gz FYUAFDYJPXQGNU-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)OC)C1 ZINC001490552763 900659846 /nfs/dbraw/zinc/65/98/46/900659846.db2.gz FYUAFDYJPXQGNU-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001320256010 900918224 /nfs/dbraw/zinc/91/82/24/900918224.db2.gz CWNUSCPHYQDDTN-NSHDSACASA-N 1 2 298.412 0.707 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC1)CO2 ZINC001327374281 914503746 /nfs/dbraw/zinc/50/37/46/914503746.db2.gz ZXCBNJIVPLWUJI-CYBMUJFWSA-N 1 2 280.368 0.559 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001411662060 901183852 /nfs/dbraw/zinc/18/38/52/901183852.db2.gz WLGBXKWLHXSUSZ-ZJUUUORDSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)[C@@H](C)C#N ZINC001411662053 901184294 /nfs/dbraw/zinc/18/42/94/901184294.db2.gz WLGBXKWLHXSUSZ-VHSXEESVSA-N 1 2 277.328 0.075 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001327408920 914525554 /nfs/dbraw/zinc/52/55/54/914525554.db2.gz VMHBISQPERQSPQ-LBPRGKRZSA-N 1 2 282.384 0.541 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(C#N)n1 ZINC001412378647 901674872 /nfs/dbraw/zinc/67/48/72/901674872.db2.gz YVHBCNZOUZSUDU-NSHDSACASA-N 1 2 271.280 0.150 20 30 CCEDLO COCC#CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001330701541 903907900 /nfs/dbraw/zinc/90/79/00/903907900.db2.gz FAOOBPCHSGHALN-CYBMUJFWSA-N 1 2 275.352 0.851 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001316600411 904112692 /nfs/dbraw/zinc/11/26/92/904112692.db2.gz KDUJUPRGPFIBKP-LLVKDONJSA-N 1 2 294.380 0.334 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001316600411 904112703 /nfs/dbraw/zinc/11/27/03/904112703.db2.gz KDUJUPRGPFIBKP-LLVKDONJSA-N 1 2 294.380 0.334 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001316602322 904115239 /nfs/dbraw/zinc/11/52/39/904115239.db2.gz UHEWTTXABLBDHN-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001316602322 904115249 /nfs/dbraw/zinc/11/52/49/904115249.db2.gz UHEWTTXABLBDHN-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)COC(C)C)CC2)C1 ZINC001281783619 904346211 /nfs/dbraw/zinc/34/62/11/904346211.db2.gz IHABXZXBJYAJLP-UHFFFAOYSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)COC(C)C)CC2)C1 ZINC001281783619 904346220 /nfs/dbraw/zinc/34/62/20/904346220.db2.gz IHABXZXBJYAJLP-UHFFFAOYSA-N 1 2 294.395 0.738 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[N@H+](C)Cc1cnnn1C ZINC001282383651 904465694 /nfs/dbraw/zinc/46/56/94/904465694.db2.gz CLFOSDZRJOKRFB-NSHDSACASA-N 1 2 275.356 0.165 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[N@@H+](C)Cc1cnnn1C ZINC001282383651 904465705 /nfs/dbraw/zinc/46/57/05/904465705.db2.gz CLFOSDZRJOKRFB-NSHDSACASA-N 1 2 275.356 0.165 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282442027 904478861 /nfs/dbraw/zinc/47/88/61/904478861.db2.gz BPMBRNICAZILPH-JTQLQIEISA-N 1 2 295.387 0.257 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282442027 904478866 /nfs/dbraw/zinc/47/88/66/904478866.db2.gz BPMBRNICAZILPH-JTQLQIEISA-N 1 2 295.387 0.257 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001398733962 914815156 /nfs/dbraw/zinc/81/51/56/914815156.db2.gz JKHUPTSEIWRRBY-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001398733962 914815170 /nfs/dbraw/zinc/81/51/70/914815170.db2.gz JKHUPTSEIWRRBY-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001377333283 904791571 /nfs/dbraw/zinc/79/15/71/904791571.db2.gz DLJJZKWDCWHHRS-WDEREUQCSA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001377333283 904791576 /nfs/dbraw/zinc/79/15/76/904791576.db2.gz DLJJZKWDCWHHRS-WDEREUQCSA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001377395226 904840576 /nfs/dbraw/zinc/84/05/76/904840576.db2.gz UECRNKSKTBFWDJ-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001377395226 904840590 /nfs/dbraw/zinc/84/05/90/904840590.db2.gz UECRNKSKTBFWDJ-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001283605727 904925343 /nfs/dbraw/zinc/92/53/43/904925343.db2.gz JHJQONJUUHXMJP-HZMBPMFUSA-N 1 2 296.371 0.642 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)[C@@H]1C ZINC001284121764 905150850 /nfs/dbraw/zinc/15/08/50/905150850.db2.gz LNLOOLXMQOUBQZ-UWVGGRQHSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)[C@@H]1C ZINC001284121764 905150857 /nfs/dbraw/zinc/15/08/57/905150857.db2.gz LNLOOLXMQOUBQZ-UWVGGRQHSA-N 1 2 273.764 0.583 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001284318065 905248421 /nfs/dbraw/zinc/24/84/21/905248421.db2.gz VQNKONXSJRRCOR-QWRGUYRKSA-N 1 2 294.355 0.164 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1csnn1 ZINC001284416473 905280121 /nfs/dbraw/zinc/28/01/21/905280121.db2.gz NNVWPXUCEWVWKK-GFCCVEGCSA-N 1 2 298.412 0.803 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@]1(C#N)CCSC1 ZINC001292651287 906317886 /nfs/dbraw/zinc/31/78/86/906317886.db2.gz VRYHYDLTQPRPQN-LLVKDONJSA-N 1 2 250.327 0.478 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001295057057 906667744 /nfs/dbraw/zinc/66/77/44/906667744.db2.gz ILOODMUCMQMQKO-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001337664923 921282620 /nfs/dbraw/zinc/28/26/20/921282620.db2.gz BPNTYVIIPHEOTP-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001337664923 921282625 /nfs/dbraw/zinc/28/26/25/921282625.db2.gz BPNTYVIIPHEOTP-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3nccs3)n2C)CC1 ZINC001337932720 921304327 /nfs/dbraw/zinc/30/43/27/921304327.db2.gz IDRNEGRRRCCMAW-UHFFFAOYSA-N 1 2 288.380 0.694 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381532991 907275028 /nfs/dbraw/zinc/27/50/28/907275028.db2.gz SSTHZYJGJNTTQQ-DCAQKATOSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC001381856685 907429182 /nfs/dbraw/zinc/42/91/82/907429182.db2.gz OTCDMHCQVPJOAP-WCQYABFASA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC001381856685 907429190 /nfs/dbraw/zinc/42/91/90/907429190.db2.gz OTCDMHCQVPJOAP-WCQYABFASA-N 1 2 289.383 0.906 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001382203486 907619036 /nfs/dbraw/zinc/61/90/36/907619036.db2.gz CHSRDLJGBITGTF-RNFRBKRXSA-N 1 2 292.660 0.706 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC001382453786 907748735 /nfs/dbraw/zinc/74/87/35/907748735.db2.gz WOGRVKQJXJHKHX-JQWIXIFHSA-N 1 2 280.328 0.085 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC001382453786 907748750 /nfs/dbraw/zinc/74/87/50/907748750.db2.gz WOGRVKQJXJHKHX-JQWIXIFHSA-N 1 2 280.328 0.085 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001492236384 907789450 /nfs/dbraw/zinc/78/94/50/907789450.db2.gz NHUIASZYFWBFNW-UHFFFAOYSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001492236384 907789459 /nfs/dbraw/zinc/78/94/59/907789459.db2.gz NHUIASZYFWBFNW-UHFFFAOYSA-N 1 2 279.384 0.459 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001317229452 907965934 /nfs/dbraw/zinc/96/59/34/907965934.db2.gz OHYCWHHJYXLBDH-SFYZADRCSA-N 1 2 253.331 0.292 20 30 CCEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCc3nc[nH]c3C1)cc2=O ZINC001307817463 908351131 /nfs/dbraw/zinc/35/11/31/908351131.db2.gz ANNOCXXKKFJYIB-UHFFFAOYSA-N 1 2 295.306 0.588 20 30 CCEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCc3nc[nH]c3C1)cc2=O ZINC001307817463 908351153 /nfs/dbraw/zinc/35/11/53/908351153.db2.gz ANNOCXXKKFJYIB-UHFFFAOYSA-N 1 2 295.306 0.588 20 30 CCEDLO Cc1nnc(N2CC[NH+](CCOCCC#N)CC2)s1 ZINC001308091497 908378634 /nfs/dbraw/zinc/37/86/34/908378634.db2.gz UTFSDHABSBVVPB-UHFFFAOYSA-N 1 2 281.385 0.899 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001310254246 908492008 /nfs/dbraw/zinc/49/20/08/908492008.db2.gz BHOCPUFEOYPSRE-JTQLQIEISA-N 1 2 258.281 0.758 20 30 CCEDLO C#CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338298195 921422396 /nfs/dbraw/zinc/42/23/96/921422396.db2.gz SVIKVGYSNBWZEK-UHFFFAOYSA-N 1 2 286.383 0.978 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC001328289960 908659192 /nfs/dbraw/zinc/65/91/92/908659192.db2.gz RMSHCWJPTSQFTO-UHFFFAOYSA-N 1 2 291.395 0.718 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001386320070 908703045 /nfs/dbraw/zinc/70/30/45/908703045.db2.gz BIVBVYKKVSLODN-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001386320070 908703056 /nfs/dbraw/zinc/70/30/56/908703056.db2.gz BIVBVYKKVSLODN-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001316973602 908894014 /nfs/dbraw/zinc/89/40/14/908894014.db2.gz HMKUSAYMVZJMOF-LLVKDONJSA-N 1 2 296.396 0.740 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001316973602 908894028 /nfs/dbraw/zinc/89/40/28/908894028.db2.gz HMKUSAYMVZJMOF-LLVKDONJSA-N 1 2 296.396 0.740 20 30 CCEDLO C/C=C(/C)C(=O)NCC[N@@H+](C)CC(=O)N(CC)CCC#N ZINC001317444343 909215263 /nfs/dbraw/zinc/21/52/63/909215263.db2.gz QGKMZCBXIUQRFK-ACAGNQJTSA-N 1 2 294.399 0.763 20 30 CCEDLO C/C=C(/C)C(=O)NCC[N@H+](C)CC(=O)N(CC)CCC#N ZINC001317444343 909215276 /nfs/dbraw/zinc/21/52/76/909215276.db2.gz QGKMZCBXIUQRFK-ACAGNQJTSA-N 1 2 294.399 0.763 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1CCCC1(C)C)CC(=O)NCC#N ZINC001317457097 909231470 /nfs/dbraw/zinc/23/14/70/909231470.db2.gz RSIMOKOBSGEGNT-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1CCCC1(C)C)CC(=O)NCC#N ZINC001317457097 909231485 /nfs/dbraw/zinc/23/14/85/909231485.db2.gz RSIMOKOBSGEGNT-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CNC(C)=O ZINC001317474388 909249878 /nfs/dbraw/zinc/24/98/78/909249878.db2.gz HANNQUYRIMBEKZ-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CNC(C)=O ZINC001317474388 909249891 /nfs/dbraw/zinc/24/98/91/909249891.db2.gz HANNQUYRIMBEKZ-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@]1(C)C=CCC1 ZINC001317819893 909512233 /nfs/dbraw/zinc/51/22/33/909512233.db2.gz KAGHSBIQZXMEMF-MRXNPFEDSA-N 1 2 290.411 0.942 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001318018172 909581086 /nfs/dbraw/zinc/58/10/86/909581086.db2.gz MRFTWHYJMURIQE-AWEZNQCLSA-N 1 2 270.373 0.539 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2C)C1 ZINC001338583378 921515741 /nfs/dbraw/zinc/51/57/41/921515741.db2.gz PHLLNTIPEQTYOZ-UPJWGTAASA-N 1 2 289.383 0.402 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2C)C1 ZINC001338583378 921515751 /nfs/dbraw/zinc/51/57/51/921515751.db2.gz PHLLNTIPEQTYOZ-UPJWGTAASA-N 1 2 289.383 0.402 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001319322257 910098563 /nfs/dbraw/zinc/09/85/63/910098563.db2.gz JFEGUKFDPREHFZ-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001319322257 910098574 /nfs/dbraw/zinc/09/85/74/910098574.db2.gz JFEGUKFDPREHFZ-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C#CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC001319446703 910154950 /nfs/dbraw/zinc/15/49/50/910154950.db2.gz VFIPBCWOAIYVDM-UHFFFAOYSA-N 1 2 256.309 0.868 20 30 CCEDLO C#CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC001319446703 910154961 /nfs/dbraw/zinc/15/49/61/910154961.db2.gz VFIPBCWOAIYVDM-UHFFFAOYSA-N 1 2 256.309 0.868 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319606435 910223562 /nfs/dbraw/zinc/22/35/62/910223562.db2.gz IDKPMZWNXCCOJL-JQWIXIFHSA-N 1 2 260.297 0.196 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC=CCC1 ZINC001319976456 910383392 /nfs/dbraw/zinc/38/33/92/910383392.db2.gz JXTOGGNRNBUYLV-CYBMUJFWSA-N 1 2 292.383 0.373 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC=CCC1 ZINC001319976456 910383398 /nfs/dbraw/zinc/38/33/98/910383398.db2.gz JXTOGGNRNBUYLV-CYBMUJFWSA-N 1 2 292.383 0.373 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC001320068359 910449032 /nfs/dbraw/zinc/44/90/32/910449032.db2.gz SBOMCGRKPRAYQP-KRWDZBQOSA-N 1 2 255.387 0.286 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320234026 910544821 /nfs/dbraw/zinc/54/48/21/910544821.db2.gz UEJMQDVWPRATHV-YUMQZZPRSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001320234026 910544826 /nfs/dbraw/zinc/54/48/26/910544826.db2.gz UEJMQDVWPRATHV-YUMQZZPRSA-N 1 2 272.242 0.530 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\CNCC#N ZINC001321284599 911204659 /nfs/dbraw/zinc/20/46/59/911204659.db2.gz GOZCWGLTJPWSOO-QUCGXOGASA-N 1 2 261.329 0.374 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\CNCC#N ZINC001321284599 911204676 /nfs/dbraw/zinc/20/46/76/911204676.db2.gz GOZCWGLTJPWSOO-QUCGXOGASA-N 1 2 261.329 0.374 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCCF)CC2)C1 ZINC001328128993 914984544 /nfs/dbraw/zinc/98/45/44/914984544.db2.gz IEDIOOYTTKHDHX-UHFFFAOYSA-N 1 2 281.375 0.588 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001329040827 915617238 /nfs/dbraw/zinc/61/72/38/915617238.db2.gz YKNMXMWNIDKFJN-ZJUUUORDSA-N 1 2 276.340 0.774 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001329170087 915722576 /nfs/dbraw/zinc/72/25/76/915722576.db2.gz VWYYDROXDGBLGH-ZDUSSCGKSA-N 1 2 288.351 0.261 20 30 CCEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+]([C@@H](C)COC)C1 ZINC001329681942 916123047 /nfs/dbraw/zinc/12/30/47/916123047.db2.gz ORVAHKXTFLYIGP-LBPRGKRZSA-N 1 2 284.400 0.787 20 30 CCEDLO C[C@@H](CC#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001330232055 916498491 /nfs/dbraw/zinc/49/84/91/916498491.db2.gz ICIZOTLCFKHXJO-SDDRHHMPSA-N 1 2 252.314 0.943 20 30 CCEDLO C[C@@H](CC#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001330232055 916498497 /nfs/dbraw/zinc/49/84/97/916498497.db2.gz ICIZOTLCFKHXJO-SDDRHHMPSA-N 1 2 252.314 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001401736452 916533313 /nfs/dbraw/zinc/53/33/13/916533313.db2.gz IQLPNGZZXPPYEB-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001401736452 916533326 /nfs/dbraw/zinc/53/33/26/916533326.db2.gz IQLPNGZZXPPYEB-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001402156549 916842064 /nfs/dbraw/zinc/84/20/64/916842064.db2.gz OYGMQQTWLCEKSU-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001402156549 916842070 /nfs/dbraw/zinc/84/20/70/916842070.db2.gz OYGMQQTWLCEKSU-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001402660975 917160195 /nfs/dbraw/zinc/16/01/95/917160195.db2.gz FWFIMRXYBGFDQE-CMPLNLGQSA-N 1 2 290.371 0.601 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001402660975 917160206 /nfs/dbraw/zinc/16/02/06/917160206.db2.gz FWFIMRXYBGFDQE-CMPLNLGQSA-N 1 2 290.371 0.601 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001331203928 917178770 /nfs/dbraw/zinc/17/87/70/917178770.db2.gz MSDFWVQIMMPJNN-KGLIPLIRSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001331203928 917178776 /nfs/dbraw/zinc/17/87/76/917178776.db2.gz MSDFWVQIMMPJNN-KGLIPLIRSA-N 1 2 288.351 0.437 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001331699332 917525819 /nfs/dbraw/zinc/52/58/19/917525819.db2.gz BMHZJRLOLHHXOY-MFKMUULPSA-N 1 2 276.340 0.290 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001331699332 917525830 /nfs/dbraw/zinc/52/58/30/917525830.db2.gz BMHZJRLOLHHXOY-MFKMUULPSA-N 1 2 276.340 0.290 20 30 CCEDLO C=CCOC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001331934244 917732389 /nfs/dbraw/zinc/73/23/89/917732389.db2.gz MJCZOKVIAORCMY-KBPBESRZSA-N 1 2 298.383 0.485 20 30 CCEDLO C=C[C@H](COC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001331961596 917760432 /nfs/dbraw/zinc/76/04/32/917760432.db2.gz WLADAUKIXJQOKB-QMAVJUDZSA-N 1 2 254.330 0.192 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)N(C)C(=O)[C@@H](C)C#N ZINC001404436753 918346455 /nfs/dbraw/zinc/34/64/55/918346455.db2.gz VMLUBCYJAKLZJA-NWDGAFQWSA-N 1 2 291.355 0.396 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC001332725504 918402800 /nfs/dbraw/zinc/40/28/00/918402800.db2.gz UUSDUVQJDLSSNS-UHFFFAOYSA-N 1 2 298.364 0.277 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001406342693 919196425 /nfs/dbraw/zinc/19/64/25/919196425.db2.gz NDBVTGXHAZEXND-HOSYDEDBSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001406341459 919197291 /nfs/dbraw/zinc/19/72/91/919197291.db2.gz DMQXYMNRCLWWML-IJLUTSLNSA-N 1 2 289.339 0.006 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001333868508 919221996 /nfs/dbraw/zinc/22/19/96/919221996.db2.gz VEGVTWZLFOPUCI-MNOVXSKESA-N 1 2 294.355 0.164 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccnn2)C1 ZINC001334042464 919338510 /nfs/dbraw/zinc/33/85/10/919338510.db2.gz DUWFELDYTSFTLY-LLVKDONJSA-N 1 2 262.313 0.692 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccnn2)C1 ZINC001334042464 919338519 /nfs/dbraw/zinc/33/85/19/919338519.db2.gz DUWFELDYTSFTLY-LLVKDONJSA-N 1 2 262.313 0.692 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cn(C)nn1 ZINC001407879936 919938372 /nfs/dbraw/zinc/93/83/72/919938372.db2.gz QSLKGDHMFOCALX-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC001407879936 919938380 /nfs/dbraw/zinc/93/83/80/919938380.db2.gz QSLKGDHMFOCALX-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001336051368 920582345 /nfs/dbraw/zinc/58/23/45/920582345.db2.gz PDLZEUAHVRQQJB-UHFFFAOYSA-N 1 2 275.312 0.151 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001336051368 920582353 /nfs/dbraw/zinc/58/23/53/920582353.db2.gz PDLZEUAHVRQQJB-UHFFFAOYSA-N 1 2 275.312 0.151 20 30 CCEDLO C#Cc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)nc1 ZINC001336455572 920782960 /nfs/dbraw/zinc/78/29/60/920782960.db2.gz SMHOHLMQTODWTF-UHFFFAOYSA-N 1 2 272.352 0.273 20 30 CCEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001418091015 921821997 /nfs/dbraw/zinc/82/19/97/921821997.db2.gz XTWCQAPQQABLDR-MKHNBGRSSA-N 1 2 277.328 0.836 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COC[C@H]1CCCO1 ZINC001418531598 922223570 /nfs/dbraw/zinc/22/35/70/922223570.db2.gz GSCJJLCMVVRDRC-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COC[C@H]1CCCO1 ZINC001418531598 922223586 /nfs/dbraw/zinc/22/35/86/922223586.db2.gz GSCJJLCMVVRDRC-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1nnc(C)[nH]1)C1CC1 ZINC001418761842 922411041 /nfs/dbraw/zinc/41/10/41/922411041.db2.gz SDHIKJYZOOPDKV-UHFFFAOYSA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1nnc(C)[nH]1)C1CC1 ZINC001418761842 922411045 /nfs/dbraw/zinc/41/10/45/922411045.db2.gz SDHIKJYZOOPDKV-UHFFFAOYSA-N 1 2 297.790 0.989 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001341808238 922680837 /nfs/dbraw/zinc/68/08/37/922680837.db2.gz FBTSUAJDPNHYOJ-CHWSQXEVSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001341808238 922680844 /nfs/dbraw/zinc/68/08/44/922680844.db2.gz FBTSUAJDPNHYOJ-CHWSQXEVSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCO)n2CC(=C)C)CC1 ZINC001341879064 922706564 /nfs/dbraw/zinc/70/65/64/922706564.db2.gz PHAJJEAWWKMUSR-UHFFFAOYSA-N 1 2 289.383 0.144 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001419545338 922906689 /nfs/dbraw/zinc/90/66/89/922906689.db2.gz QCBZRENBJUUVPH-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001419545338 922906703 /nfs/dbraw/zinc/90/67/03/922906703.db2.gz QCBZRENBJUUVPH-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO C#C[C@@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001342951653 923148933 /nfs/dbraw/zinc/14/89/33/923148933.db2.gz IUKMKPODQATLET-KFWWJZLASA-N 1 2 293.363 0.821 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)o1 ZINC001420414308 923639618 /nfs/dbraw/zinc/63/96/18/923639618.db2.gz YUWCOGNVUZCYGC-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001345262761 923842835 /nfs/dbraw/zinc/84/28/35/923842835.db2.gz IOKNKZJVOKYJTE-OLZOCXBDSA-N 1 2 290.367 0.955 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001420645860 923845866 /nfs/dbraw/zinc/84/58/66/923845866.db2.gz YRFARMGIMIQTPE-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001420645860 923845873 /nfs/dbraw/zinc/84/58/73/923845873.db2.gz YRFARMGIMIQTPE-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC001346279916 924142355 /nfs/dbraw/zinc/14/23/55/924142355.db2.gz BAOFYVKOGSMDCR-UHFFFAOYSA-N 1 2 298.346 0.174 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346766913 924306069 /nfs/dbraw/zinc/30/60/69/924306069.db2.gz MXXYNAWHGQUPPD-STQMWFEESA-N 1 2 268.405 0.838 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346766913 924306072 /nfs/dbraw/zinc/30/60/72/924306072.db2.gz MXXYNAWHGQUPPD-STQMWFEESA-N 1 2 268.405 0.838 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC001347618076 924494803 /nfs/dbraw/zinc/49/48/03/924494803.db2.gz RUGSTERRBGQEBN-KBPBESRZSA-N 1 2 280.416 0.579 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001348239091 924626721 /nfs/dbraw/zinc/62/67/21/924626721.db2.gz GEDHTFAORHFKHO-UHFFFAOYSA-N 1 2 288.351 0.650 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC001349649170 925014540 /nfs/dbraw/zinc/01/45/40/925014540.db2.gz SHDLLDONTJTKNB-GOSISDBHSA-N 1 2 269.414 0.676 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001351131720 925366035 /nfs/dbraw/zinc/36/60/35/925366035.db2.gz DXAPVLDNUXLKHP-MNOVXSKESA-N 1 2 265.361 0.565 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001351131720 925366042 /nfs/dbraw/zinc/36/60/42/925366042.db2.gz DXAPVLDNUXLKHP-MNOVXSKESA-N 1 2 265.361 0.565 20 30 CCEDLO Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001480437325 925709038 /nfs/dbraw/zinc/70/90/38/925709038.db2.gz HQTSFRVEVCPUBM-RKDXNWHRSA-N 1 2 250.302 0.737 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001480460776 925781205 /nfs/dbraw/zinc/78/12/05/925781205.db2.gz YTKDDCLHKYXQNH-JTQLQIEISA-N 1 2 282.369 0.172 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2COCCO2)n1 ZINC001354725880 926159217 /nfs/dbraw/zinc/15/92/17/926159217.db2.gz MXPJNHBVMYRESC-CQSZACIVSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2COCCO2)n1 ZINC001354725880 926159226 /nfs/dbraw/zinc/15/92/26/926159226.db2.gz MXPJNHBVMYRESC-CQSZACIVSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCN1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C)CC1 ZINC001355370681 926245886 /nfs/dbraw/zinc/24/58/86/926245886.db2.gz UTCFYFDVUJAFSI-ZDUSSCGKSA-N 1 2 288.399 0.337 20 30 CCEDLO C#CCN1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C)CC1 ZINC001355370681 926245897 /nfs/dbraw/zinc/24/58/97/926245897.db2.gz UTCFYFDVUJAFSI-ZDUSSCGKSA-N 1 2 288.399 0.337 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001421303534 926664691 /nfs/dbraw/zinc/66/46/91/926664691.db2.gz GIRHBGHHZUJOPZ-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001421303534 926664696 /nfs/dbraw/zinc/66/46/96/926664696.db2.gz GIRHBGHHZUJOPZ-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO C[N@H+](Cc1cc(C#N)ccn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001414002075 926789339 /nfs/dbraw/zinc/78/93/39/926789339.db2.gz LNXCJMFJRAYUJD-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001414002075 926789341 /nfs/dbraw/zinc/78/93/41/926789341.db2.gz LNXCJMFJRAYUJD-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO CC[C@H](C[NH+]1CC(CCO)(NC(=O)[C@@H](C)C#N)C1)OC ZINC001422606280 927401515 /nfs/dbraw/zinc/40/15/15/927401515.db2.gz QMZXQWHAVQADRC-NWDGAFQWSA-N 1 2 283.372 0.124 20 30 CCEDLO CCn1nncc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001422780967 927507987 /nfs/dbraw/zinc/50/79/87/927507987.db2.gz KHLJHHHTBJRLBN-GHMZBOCLSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001422780967 927507999 /nfs/dbraw/zinc/50/79/99/927507999.db2.gz KHLJHHHTBJRLBN-GHMZBOCLSA-N 1 2 278.360 0.394 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)[C@@H](C)C#N ZINC001424328634 928159953 /nfs/dbraw/zinc/15/99/53/928159953.db2.gz GZSFKPMBITWPOW-VHSXEESVSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)Cc1ccccc1C#N ZINC001425042110 928412207 /nfs/dbraw/zinc/41/22/07/928412207.db2.gz OEFMRISEOGSQPE-LLVKDONJSA-N 1 2 298.350 0.927 20 30 CCEDLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)Cc1ccccc1C#N ZINC001425042110 928412213 /nfs/dbraw/zinc/41/22/13/928412213.db2.gz OEFMRISEOGSQPE-LLVKDONJSA-N 1 2 298.350 0.927 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1C ZINC001362742704 928432938 /nfs/dbraw/zinc/43/29/38/928432938.db2.gz RHNGJAAZRBKGCU-NSHDSACASA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1C ZINC001362742704 928432945 /nfs/dbraw/zinc/43/29/45/928432945.db2.gz RHNGJAAZRBKGCU-NSHDSACASA-N 1 2 281.356 0.632 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001443594382 929656930 /nfs/dbraw/zinc/65/69/30/929656930.db2.gz CFKZJEICVNLHJR-GFCCVEGCSA-N 1 2 253.390 0.951 20 30 CCEDLO CC[N@H+](CCNC(=O)c1cn[nH]n1)Cc1ccccc1C#N ZINC001492983205 929701111 /nfs/dbraw/zinc/70/11/11/929701111.db2.gz WXFYIJVGXDSUET-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO CC[N@@H+](CCNC(=O)c1cn[nH]n1)Cc1ccccc1C#N ZINC001492983205 929701119 /nfs/dbraw/zinc/70/11/19/929701119.db2.gz WXFYIJVGXDSUET-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001372113846 929732454 /nfs/dbraw/zinc/73/24/54/929732454.db2.gz NJAUNPZBBONXHO-LBPRGKRZSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001372113846 929732460 /nfs/dbraw/zinc/73/24/60/929732460.db2.gz NJAUNPZBBONXHO-LBPRGKRZSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001445074194 930025570 /nfs/dbraw/zinc/02/55/70/930025570.db2.gz DZWXOIQHBUXUSR-UHFFFAOYSA-N 1 2 298.774 0.537 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001445074194 930025576 /nfs/dbraw/zinc/02/55/76/930025576.db2.gz DZWXOIQHBUXUSR-UHFFFAOYSA-N 1 2 298.774 0.537 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001373017008 930043281 /nfs/dbraw/zinc/04/32/81/930043281.db2.gz DUVCLDNMIKSIER-QWRGUYRKSA-N 1 2 291.355 0.133 20 30 CCEDLO CCn1cc(CC[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cn1 ZINC001374056347 930412383 /nfs/dbraw/zinc/41/23/83/930412383.db2.gz XJPBAFQKIQELJP-CYBMUJFWSA-N 1 2 289.383 0.749 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001376528593 931172284 /nfs/dbraw/zinc/17/22/84/931172284.db2.gz IPWPDUSZNFAWOZ-PWSUYJOCSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001376528593 931172291 /nfs/dbraw/zinc/17/22/91/931172291.db2.gz IPWPDUSZNFAWOZ-PWSUYJOCSA-N 1 2 291.355 0.866 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001377130001 931394880 /nfs/dbraw/zinc/39/48/80/931394880.db2.gz NIGHZRNDMYMXHH-NEPJUHHUSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001377130001 931394885 /nfs/dbraw/zinc/39/48/85/931394885.db2.gz NIGHZRNDMYMXHH-NEPJUHHUSA-N 1 2 282.388 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451234184 931402677 /nfs/dbraw/zinc/40/26/77/931402677.db2.gz QZYUKIVNEHCESI-NXEZZACHSA-N 1 2 277.328 0.075 20 30 CCEDLO CCC(C#N)(CC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000599647639 361771424 /nfs/dbraw/zinc/77/14/24/361771424.db2.gz RNSSLTHMOXYLIJ-ZDUSSCGKSA-N 1 2 297.399 0.468 20 30 CCEDLO Cc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)ccc1C#N ZINC000599663251 361777246 /nfs/dbraw/zinc/77/72/46/361777246.db2.gz CBLGMYMDRCVGCY-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)ccc1C#N ZINC000599663251 361777249 /nfs/dbraw/zinc/77/72/49/361777249.db2.gz CBLGMYMDRCVGCY-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599663238 361777284 /nfs/dbraw/zinc/77/72/84/361777284.db2.gz BYONEIHFMIKLKW-CQSZACIVSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599663238 361777288 /nfs/dbraw/zinc/77/72/88/361777288.db2.gz BYONEIHFMIKLKW-CQSZACIVSA-N 1 2 289.335 0.513 20 30 CCEDLO CCC(C#N)(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600421020 361957580 /nfs/dbraw/zinc/95/75/80/361957580.db2.gz SXMJHIYHQPVRLM-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CCC(C#N)(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600421020 361957584 /nfs/dbraw/zinc/95/75/84/361957584.db2.gz SXMJHIYHQPVRLM-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO N#CC1(C[C@H](O)C[NH2+]CC(F)(F)CO)CCOCC1 ZINC000600745555 362052587 /nfs/dbraw/zinc/05/25/87/362052587.db2.gz RPUIZYSBPBEXCC-JTQLQIEISA-N 1 2 278.299 0.275 20 30 CCEDLO CN1C(=O)C[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888569 362088828 /nfs/dbraw/zinc/08/88/28/362088828.db2.gz ZWAFHDTXEDRTFA-CQSZACIVSA-N 1 2 283.331 0.868 20 30 CCEDLO CN1C(=O)C[C@@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888569 362088829 /nfs/dbraw/zinc/08/88/29/362088829.db2.gz ZWAFHDTXEDRTFA-CQSZACIVSA-N 1 2 283.331 0.868 20 30 CCEDLO Cc1cc(C)c(Cn2c(=O)[nH]cc(C#N)c2=O)c(C)[nH+]1 ZINC000601083189 362145998 /nfs/dbraw/zinc/14/59/98/362145998.db2.gz ABOCUQOJMFFHKE-UHFFFAOYSA-N 1 2 270.292 0.777 20 30 CCEDLO CNS(=O)(=O)CCCNc1cc(C)[nH+]cc1C#N ZINC000601229356 362184577 /nfs/dbraw/zinc/18/45/77/362184577.db2.gz NIZJTIWTCLYZQV-UHFFFAOYSA-N 1 2 268.342 0.035 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617732870 365743685 /nfs/dbraw/zinc/74/36/85/365743685.db2.gz KDIPYTBOLUVUMU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617732870 365743688 /nfs/dbraw/zinc/74/36/88/365743688.db2.gz KDIPYTBOLUVUMU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCCO3)C[C@H]21 ZINC000329990523 529785083 /nfs/dbraw/zinc/78/50/83/529785083.db2.gz WFOUOKXYWZJWIC-YNEHKIRRSA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCCO3)C[C@H]21 ZINC000329990523 529785084 /nfs/dbraw/zinc/78/50/84/529785084.db2.gz WFOUOKXYWZJWIC-YNEHKIRRSA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3nncs3)C[C@H]21 ZINC000330361680 529786723 /nfs/dbraw/zinc/78/67/23/529786723.db2.gz YQWBSFOEVSDPLI-RKDXNWHRSA-N 1 2 283.357 0.141 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3nncs3)C[C@H]21 ZINC000330361680 529786724 /nfs/dbraw/zinc/78/67/24/529786724.db2.gz YQWBSFOEVSDPLI-RKDXNWHRSA-N 1 2 283.357 0.141 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3nccs3)C[C@H]21 ZINC000330351388 529786888 /nfs/dbraw/zinc/78/68/88/529786888.db2.gz MEMDBPATUZZUNF-NXEZZACHSA-N 1 2 282.369 0.746 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3nccs3)C[C@H]21 ZINC000330351388 529786890 /nfs/dbraw/zinc/78/68/90/529786890.db2.gz MEMDBPATUZZUNF-NXEZZACHSA-N 1 2 282.369 0.746 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)nc1 ZINC000115361790 349853605 /nfs/dbraw/zinc/85/36/05/349853605.db2.gz HUMWMJMKPSZMTN-UHFFFAOYSA-N 1 2 255.281 0.959 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OC ZINC000601781618 362389882 /nfs/dbraw/zinc/38/98/82/362389882.db2.gz JXOWHVYYKSXBEI-NSHDSACASA-N 1 2 265.313 0.885 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OC ZINC000601781618 362389890 /nfs/dbraw/zinc/38/98/90/362389890.db2.gz JXOWHVYYKSXBEI-NSHDSACASA-N 1 2 265.313 0.885 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](CO)C1 ZINC000601980379 362448927 /nfs/dbraw/zinc/44/89/27/362448927.db2.gz UNUWKNIWHICUSF-JTQLQIEISA-N 1 2 266.732 0.719 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](CO)C1 ZINC000601980379 362448933 /nfs/dbraw/zinc/44/89/33/362448933.db2.gz UNUWKNIWHICUSF-JTQLQIEISA-N 1 2 266.732 0.719 20 30 CCEDLO CC(C)C[C@H](C(=O)NCC(=O)NCC#N)n1cc[nH+]c1 ZINC000602152223 362528495 /nfs/dbraw/zinc/52/84/95/362528495.db2.gz KHGARWFJIMMSJA-LLVKDONJSA-N 1 2 277.328 0.226 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446723 362622168 /nfs/dbraw/zinc/62/21/68/362622168.db2.gz IMKJSNHBJGPKDJ-JTQLQIEISA-N 1 2 267.354 0.925 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446723 362622175 /nfs/dbraw/zinc/62/21/75/362622175.db2.gz IMKJSNHBJGPKDJ-JTQLQIEISA-N 1 2 267.354 0.925 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000602758217 362787366 /nfs/dbraw/zinc/78/73/66/362787366.db2.gz FJWUQMHHMZQYEY-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO C[C@@H]1C[NH+](Cc2cc(=O)c(O)co2)C[C@@H](C)N1CC#N ZINC000602858461 362843348 /nfs/dbraw/zinc/84/33/48/362843348.db2.gz SJYPQJNIBKZSHV-GHMZBOCLSA-N 1 2 277.324 0.764 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857096 362843448 /nfs/dbraw/zinc/84/34/48/362843448.db2.gz OOWFVDHQXQXLKU-TUAOUCFPSA-N 1 2 295.387 0.139 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857096 362843451 /nfs/dbraw/zinc/84/34/51/362843451.db2.gz OOWFVDHQXQXLKU-TUAOUCFPSA-N 1 2 295.387 0.139 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000602862974 362847578 /nfs/dbraw/zinc/84/75/78/362847578.db2.gz LMWWSOGHIGGFLM-NEPJUHHUSA-N 1 2 289.335 0.834 20 30 CCEDLO N#Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000034673850 348151348 /nfs/dbraw/zinc/15/13/48/348151348.db2.gz VZLAQZVWSMGMHN-ZDUSSCGKSA-N 1 2 262.309 0.630 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000042294645 348273101 /nfs/dbraw/zinc/27/31/01/348273101.db2.gz NGGUXJNYHSNTAY-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000042294645 348273104 /nfs/dbraw/zinc/27/31/04/348273104.db2.gz NGGUXJNYHSNTAY-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898264 362873178 /nfs/dbraw/zinc/87/31/78/362873178.db2.gz QGZRXVJJFHVXPP-UKRRQHHQSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898264 362873180 /nfs/dbraw/zinc/87/31/80/362873180.db2.gz QGZRXVJJFHVXPP-UKRRQHHQSA-N 1 2 292.335 0.603 20 30 CCEDLO N#CCC1(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000602915142 362884699 /nfs/dbraw/zinc/88/46/99/362884699.db2.gz GZOHKDQSLDVAAW-UHFFFAOYSA-N 1 2 283.397 0.790 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047795364 348388417 /nfs/dbraw/zinc/38/84/17/348388417.db2.gz VKCGTZQLGSNEFM-RYUDHWBXSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047795364 348388419 /nfs/dbraw/zinc/38/84/19/348388419.db2.gz VKCGTZQLGSNEFM-RYUDHWBXSA-N 1 2 281.356 0.335 20 30 CCEDLO Cc1ccnc(NCCC[N@@H+]2CCNC(=O)C2)c1C#N ZINC000273348446 192122807 /nfs/dbraw/zinc/12/28/07/192122807.db2.gz OWRPRGZKRVPZED-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO Cc1ccnc(NCCC[N@H+]2CCNC(=O)C2)c1C#N ZINC000273348446 192122808 /nfs/dbraw/zinc/12/28/08/192122808.db2.gz OWRPRGZKRVPZED-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602973500 362916359 /nfs/dbraw/zinc/91/63/59/362916359.db2.gz BAGJBCXLGGUGDA-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602973500 362916366 /nfs/dbraw/zinc/91/63/66/362916366.db2.gz BAGJBCXLGGUGDA-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000349024964 137383932 /nfs/dbraw/zinc/38/39/32/137383932.db2.gz GJJIKTBQESHQFM-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000052662743 348513045 /nfs/dbraw/zinc/51/30/45/348513045.db2.gz HMVUWBLXHJHXLP-CYBMUJFWSA-N 1 2 292.383 0.791 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000052797249 348514789 /nfs/dbraw/zinc/51/47/89/348514789.db2.gz YFNPQRXFCULFBS-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000052797249 348514791 /nfs/dbraw/zinc/51/47/91/348514791.db2.gz YFNPQRXFCULFBS-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCCC#N)CC1 ZINC000054994725 348568090 /nfs/dbraw/zinc/56/80/90/348568090.db2.gz QRBGUDILNGSFLD-GFCCVEGCSA-N 1 2 264.373 0.575 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCCC#N)CC1 ZINC000054994725 348568092 /nfs/dbraw/zinc/56/80/92/348568092.db2.gz QRBGUDILNGSFLD-GFCCVEGCSA-N 1 2 264.373 0.575 20 30 CCEDLO N#CCc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000058241968 348623370 /nfs/dbraw/zinc/62/33/70/348623370.db2.gz CIIUCAGJUOCALZ-UHFFFAOYSA-N 1 2 273.336 0.815 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000063508108 348687055 /nfs/dbraw/zinc/68/70/55/348687055.db2.gz DTSJIWJCRCOCGZ-UHFFFAOYSA-N 1 2 290.342 0.908 20 30 CCEDLO C#CC[N@@H+](CCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066537695 348747377 /nfs/dbraw/zinc/74/73/77/348747377.db2.gz CFIQIAGCUYIRFE-CYBMUJFWSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CC[N@H+](CCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066537695 348747378 /nfs/dbraw/zinc/74/73/78/348747378.db2.gz CFIQIAGCUYIRFE-CYBMUJFWSA-N 1 2 298.408 0.121 20 30 CCEDLO COC(=O)[C@@H]([NH+]1CCN(CCC#N)CC1)C1(OC)CCC1 ZINC000603015586 362939820 /nfs/dbraw/zinc/93/98/20/362939820.db2.gz FHTWFEUQHDHEHO-CYBMUJFWSA-N 1 2 295.383 0.628 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nncn1C ZINC000273998774 192395711 /nfs/dbraw/zinc/39/57/11/192395711.db2.gz KMIJPSFYVNRRKN-LLVKDONJSA-N 1 2 265.361 0.890 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccco2)CC1 ZINC000081645045 349277993 /nfs/dbraw/zinc/27/79/93/349277993.db2.gz CCTCSOCOFBSKQG-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccco2)CC1 ZINC000081645045 349277998 /nfs/dbraw/zinc/27/79/98/349277998.db2.gz CCTCSOCOFBSKQG-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C[C@H](CO)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000135624092 350405283 /nfs/dbraw/zinc/40/52/83/350405283.db2.gz UEABSMXVAYXQCE-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000135624092 350405285 /nfs/dbraw/zinc/40/52/85/350405285.db2.gz UEABSMXVAYXQCE-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000603098324 362962012 /nfs/dbraw/zinc/96/20/12/362962012.db2.gz NTXPHVHINGPURT-TXEJJXNPSA-N 1 2 275.356 0.407 20 30 CCEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000152594743 350535523 /nfs/dbraw/zinc/53/55/23/350535523.db2.gz KKCOTXZEBAQCHW-UHFFFAOYSA-N 1 2 289.335 0.203 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC000603133791 362972722 /nfs/dbraw/zinc/97/27/22/362972722.db2.gz YWLCRTLYRBTOPK-ZDUSSCGKSA-N 1 2 288.355 0.321 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC000603133791 362972726 /nfs/dbraw/zinc/97/27/26/362972726.db2.gz YWLCRTLYRBTOPK-ZDUSSCGKSA-N 1 2 288.355 0.321 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000110484009 186299146 /nfs/dbraw/zinc/29/91/46/186299146.db2.gz BZLIBBIGRMIKMA-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000110484009 186299147 /nfs/dbraw/zinc/29/91/47/186299147.db2.gz BZLIBBIGRMIKMA-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCC(=O)OCC)nn1 ZINC000603197902 362995921 /nfs/dbraw/zinc/99/59/21/362995921.db2.gz PFWWGZUDNIOOMF-UHFFFAOYSA-N 1 2 264.329 0.734 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCCC(=O)OC)nn1 ZINC000603194790 362993232 /nfs/dbraw/zinc/99/32/32/362993232.db2.gz FPOXLLCDZFYSEB-UHFFFAOYSA-N 1 2 264.329 0.734 20 30 CCEDLO Cc1cccc2[nH+]c(Cn3cc(CNCC#N)nn3)cn21 ZINC000603217262 363003738 /nfs/dbraw/zinc/00/37/38/363003738.db2.gz BHDOVHLSGGJLPB-UHFFFAOYSA-N 1 2 281.323 0.896 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603223069 363007340 /nfs/dbraw/zinc/00/73/40/363007340.db2.gz OGIDADSYWHCZKL-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603223069 363007344 /nfs/dbraw/zinc/00/73/44/363007344.db2.gz OGIDADSYWHCZKL-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603223624 363008257 /nfs/dbraw/zinc/00/82/57/363008257.db2.gz ULNUJPRLGGXJAV-UHFFFAOYSA-N 1 2 266.308 0.706 20 30 CCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000174386847 351083031 /nfs/dbraw/zinc/08/30/31/351083031.db2.gz KILXTDXCZCCPSR-LLVKDONJSA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100975 351432425 /nfs/dbraw/zinc/43/24/25/351432425.db2.gz HHWGUZSBJVUNBM-FKIZINRSSA-N 1 2 298.412 0.341 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100975 351432429 /nfs/dbraw/zinc/43/24/29/351432429.db2.gz HHWGUZSBJVUNBM-FKIZINRSSA-N 1 2 298.412 0.341 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186494181 351498536 /nfs/dbraw/zinc/49/85/36/351498536.db2.gz RHSRAYMYBXCUCH-STQMWFEESA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186494181 351498537 /nfs/dbraw/zinc/49/85/37/351498537.db2.gz RHSRAYMYBXCUCH-STQMWFEESA-N 1 2 250.273 0.625 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(CCc2c[nH+]cn2C)c1 ZINC000603315942 363062022 /nfs/dbraw/zinc/06/20/22/363062022.db2.gz WTNDHPZKQGJXJL-UHFFFAOYSA-N 1 2 286.291 0.483 20 30 CCEDLO Cc1ccc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)c(C)[nH+]1 ZINC000603356284 363085518 /nfs/dbraw/zinc/08/55/18/363085518.db2.gz FRSDOLNUYGCARB-UHFFFAOYSA-N 1 2 284.319 0.787 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)ccn1 ZINC000192962842 351805722 /nfs/dbraw/zinc/80/57/22/351805722.db2.gz ABLHCFFYRTVDAG-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO Cc1nc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1C#N ZINC000291756250 198081935 /nfs/dbraw/zinc/08/19/35/198081935.db2.gz ARWCKOZCWYEHSL-CYBMUJFWSA-N 1 2 257.341 0.673 20 30 CCEDLO Cc1nc(NC[C@@H]2CN3CC[NH+]2CC3)ccc1C#N ZINC000291756250 198081936 /nfs/dbraw/zinc/08/19/36/198081936.db2.gz ARWCKOZCWYEHSL-CYBMUJFWSA-N 1 2 257.341 0.673 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1F ZINC000223556873 351987594 /nfs/dbraw/zinc/98/75/94/351987594.db2.gz KTQSFKZNZMLABJ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1F ZINC000223556873 351987596 /nfs/dbraw/zinc/98/75/96/351987596.db2.gz KTQSFKZNZMLABJ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000231901915 352138070 /nfs/dbraw/zinc/13/80/70/352138070.db2.gz MWUGWFLXFDVSFV-LBPRGKRZSA-N 1 2 260.345 0.314 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000231901915 352138072 /nfs/dbraw/zinc/13/80/72/352138072.db2.gz MWUGWFLXFDVSFV-LBPRGKRZSA-N 1 2 260.345 0.314 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCSC[C@@H]2C(N)=O)c1 ZINC000271582489 191226437 /nfs/dbraw/zinc/22/64/37/191226437.db2.gz QJLMKKDIWRGXIG-CYBMUJFWSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCSC[C@@H]2C(N)=O)c1 ZINC000271582489 191226440 /nfs/dbraw/zinc/22/64/40/191226440.db2.gz QJLMKKDIWRGXIG-CYBMUJFWSA-N 1 2 291.376 0.840 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)n1 ZINC000267522320 352771920 /nfs/dbraw/zinc/77/19/20/352771920.db2.gz GTWBMTGMKCSGPG-CYBMUJFWSA-N 1 2 276.340 0.083 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468319 363197272 /nfs/dbraw/zinc/19/72/72/363197272.db2.gz IJHZYOKMDKEWKY-CYBMUJFWSA-N 1 2 292.335 0.597 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468319 363197276 /nfs/dbraw/zinc/19/72/76/363197276.db2.gz IJHZYOKMDKEWKY-CYBMUJFWSA-N 1 2 292.335 0.597 20 30 CCEDLO Cc1nnc(NCCC[N@@H+]2CCNC(=O)C2)c(C#N)c1C ZINC000269974220 352891202 /nfs/dbraw/zinc/89/12/02/352891202.db2.gz PABWRVFPYZKOKS-UHFFFAOYSA-N 1 2 288.355 0.199 20 30 CCEDLO Cc1nnc(NCCC[N@H+]2CCNC(=O)C2)c(C#N)c1C ZINC000269974220 352891207 /nfs/dbraw/zinc/89/12/07/352891207.db2.gz PABWRVFPYZKOKS-UHFFFAOYSA-N 1 2 288.355 0.199 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277970640 353275715 /nfs/dbraw/zinc/27/57/15/353275715.db2.gz QCNRAYSTDAPMLN-UHFFFAOYSA-N 1 2 274.324 0.481 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)C2CC2)nc1 ZINC000290246339 353717064 /nfs/dbraw/zinc/71/70/64/353717064.db2.gz JOCJBHDLWWNTRO-UHFFFAOYSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)C2CC2)nc1 ZINC000290246339 353717070 /nfs/dbraw/zinc/71/70/70/353717070.db2.gz JOCJBHDLWWNTRO-UHFFFAOYSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000336415659 213272996 /nfs/dbraw/zinc/27/29/96/213272996.db2.gz IDLZOYRMFBKKTA-JTQLQIEISA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000336415659 213272999 /nfs/dbraw/zinc/27/29/99/213272999.db2.gz IDLZOYRMFBKKTA-JTQLQIEISA-N 1 2 262.288 0.940 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nc3nccc(C)n3n2)CC1 ZINC000299337892 354010002 /nfs/dbraw/zinc/01/00/02/354010002.db2.gz PYQNKQPIGQBBNJ-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO CO[C@H]1C[NH+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OC ZINC000300180849 354059906 /nfs/dbraw/zinc/05/99/06/354059906.db2.gz SSGWNSLEGLCCTR-KBPBESRZSA-N 1 2 289.335 0.842 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CO)CC2)cc1 ZINC000304134131 354106375 /nfs/dbraw/zinc/10/63/75/354106375.db2.gz CNCXQRNIMSZQMK-CQSZACIVSA-N 1 2 273.336 0.789 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000305741188 354157966 /nfs/dbraw/zinc/15/79/66/354157966.db2.gz RUKNXRONXZFZPY-LBPRGKRZSA-N 1 2 273.336 0.756 20 30 CCEDLO CCc1nc(C#N)cc(NCC[NH+]2CCOCC2)n1 ZINC000308189439 354183770 /nfs/dbraw/zinc/18/37/70/354183770.db2.gz MKFMYIRRNJJLMM-UHFFFAOYSA-N 1 2 261.329 0.655 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312326751 354207539 /nfs/dbraw/zinc/20/75/39/354207539.db2.gz SUMLRSQEYDIUBN-AWEZNQCLSA-N 1 2 277.299 0.510 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312326751 354207542 /nfs/dbraw/zinc/20/75/42/354207542.db2.gz SUMLRSQEYDIUBN-AWEZNQCLSA-N 1 2 277.299 0.510 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329244611 354254319 /nfs/dbraw/zinc/25/43/19/354254319.db2.gz PZXFEAZOUMVSAM-IUCAKERBSA-N 1 2 298.368 0.712 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329244611 354254324 /nfs/dbraw/zinc/25/43/24/354254324.db2.gz PZXFEAZOUMVSAM-IUCAKERBSA-N 1 2 298.368 0.712 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CO ZINC000330284820 354316272 /nfs/dbraw/zinc/31/62/72/354316272.db2.gz YALUZPKURCYLJQ-MNOVXSKESA-N 1 2 264.329 0.569 20 30 CCEDLO Cc1cc(NC(=O)NCCn2cnc(C#N)n2)c(C)c[nH+]1 ZINC000558399670 291054353 /nfs/dbraw/zinc/05/43/53/291054353.db2.gz MAJFXWDTSPPWSI-UHFFFAOYSA-N 1 2 285.311 0.405 20 30 CCEDLO Cc1cc(NCC2(C(N)=O)CCOCC2)c(C#N)c[nH+]1 ZINC000425233607 235275573 /nfs/dbraw/zinc/27/55/73/235275573.db2.gz WKCUUELBQDVQHW-UHFFFAOYSA-N 1 2 274.324 0.378 20 30 CCEDLO Cc1cc(NC[C@H](CO)[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425262500 235278125 /nfs/dbraw/zinc/27/81/25/235278125.db2.gz RTHTYZUQLZTTIC-WCQYABFASA-N 1 2 261.325 0.741 20 30 CCEDLO N#Cc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)c1Cl ZINC000342780571 355745461 /nfs/dbraw/zinc/74/54/61/355745461.db2.gz MDARAVGAVAGWFU-LLVKDONJSA-N 1 2 277.759 0.440 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)o1 ZINC000353476951 356232448 /nfs/dbraw/zinc/23/24/48/356232448.db2.gz ZRKUIJJKQYIVJH-SECBINFHSA-N 1 2 269.326 0.404 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)o1 ZINC000353476951 356232452 /nfs/dbraw/zinc/23/24/52/356232452.db2.gz ZRKUIJJKQYIVJH-SECBINFHSA-N 1 2 269.326 0.404 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000362051487 138043959 /nfs/dbraw/zinc/04/39/59/138043959.db2.gz DHQMKGDFGQTIOG-CYBMUJFWSA-N 1 2 257.341 0.673 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000273635741 192239057 /nfs/dbraw/zinc/23/90/57/192239057.db2.gz YCRBXQOGMZVGHV-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1noc(C)c1C#N ZINC000354552749 356436789 /nfs/dbraw/zinc/43/67/89/356436789.db2.gz MFXQTTVRQGCIGO-UHFFFAOYSA-N 1 2 259.269 0.745 20 30 CCEDLO C=CCOC[C@H]([NH2+]C1CCN(C(=O)CC)CC1)C(=O)OC ZINC000619509436 366270299 /nfs/dbraw/zinc/27/02/99/366270299.db2.gz QMTYDYNLWMAKGA-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(CC#N)CC1 ZINC000609323259 363489402 /nfs/dbraw/zinc/48/94/02/363489402.db2.gz FMGIHUAHBNYFMM-LBPRGKRZSA-N 1 2 290.371 0.559 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355108756 356580291 /nfs/dbraw/zinc/58/02/91/356580291.db2.gz SVHKUJNASSHNSA-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539130 363503660 /nfs/dbraw/zinc/50/36/60/363503660.db2.gz TYTGRIBXONAGDG-ZDUSSCGKSA-N 1 2 266.389 0.630 20 30 CCEDLO N#CCSCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609569220 363504927 /nfs/dbraw/zinc/50/49/27/363504927.db2.gz LZKGVISRTZKQBG-UHFFFAOYSA-N 1 2 263.322 0.928 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000356054845 356693107 /nfs/dbraw/zinc/69/31/07/356693107.db2.gz BHBKPECDRYDGBG-MRVPVSSYSA-N 1 2 250.327 0.712 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000356054845 356693113 /nfs/dbraw/zinc/69/31/13/356693113.db2.gz BHBKPECDRYDGBG-MRVPVSSYSA-N 1 2 250.327 0.712 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000619722003 366341940 /nfs/dbraw/zinc/34/19/40/366341940.db2.gz LDZSFBJRFIUGFF-ZDCRXTMVSA-N 1 2 252.314 0.300 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000619722003 366341949 /nfs/dbraw/zinc/34/19/49/366341949.db2.gz LDZSFBJRFIUGFF-ZDCRXTMVSA-N 1 2 252.314 0.300 20 30 CCEDLO CN(Cc1nc(C#N)cs1)C[C@H](O)C[NH+]1CCOCC1 ZINC000356113642 356705463 /nfs/dbraw/zinc/70/54/63/356705463.db2.gz QQFMJNOZJGLWAO-LBPRGKRZSA-N 1 2 296.396 0.140 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NCC(=O)c2ccc(C#N)cc2)C1 ZINC000356160838 356713819 /nfs/dbraw/zinc/71/38/19/356713819.db2.gz BHSZLIWRSFCRKG-CQSZACIVSA-N 1 2 287.319 0.188 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NCC(=O)c2ccc(C#N)cc2)C1 ZINC000356160838 356713825 /nfs/dbraw/zinc/71/38/25/356713825.db2.gz BHSZLIWRSFCRKG-CQSZACIVSA-N 1 2 287.319 0.188 20 30 CCEDLO N#Cc1nccn1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000356172694 356715563 /nfs/dbraw/zinc/71/55/63/356715563.db2.gz ZUUJKHIVYKKCBO-UHFFFAOYSA-N 1 2 299.334 0.692 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CCC1 ZINC000610522237 363571819 /nfs/dbraw/zinc/57/18/19/363571819.db2.gz FLUMLYSYBJJLGZ-UHFFFAOYSA-N 1 2 288.355 0.116 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000610563142 363577906 /nfs/dbraw/zinc/57/79/06/363577906.db2.gz TYPQNHNFDBYLJR-LBPRGKRZSA-N 1 2 299.338 0.779 20 30 CCEDLO CC(C)[NH+]1CCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610562008 363576671 /nfs/dbraw/zinc/57/66/71/363576671.db2.gz UZJYWDOFUNMHEF-UHFFFAOYSA-N 1 2 276.344 0.272 20 30 CCEDLO C[C@@H](C(=O)N1CCC(C#N)CC1)[NH+]1CCOCC1 ZINC000408000624 357860717 /nfs/dbraw/zinc/86/07/17/357860717.db2.gz FHUUFJIVIXFFRT-NSHDSACASA-N 1 2 251.330 0.469 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000408115708 357925292 /nfs/dbraw/zinc/92/52/92/357925292.db2.gz PYLGHTPRUSOICR-UHFFFAOYSA-N 1 2 269.326 0.477 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000451231466 236145288 /nfs/dbraw/zinc/14/52/88/236145288.db2.gz CWNIFHJWCOVBTI-LLVKDONJSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000451231466 236145290 /nfs/dbraw/zinc/14/52/90/236145290.db2.gz CWNIFHJWCOVBTI-LLVKDONJSA-N 1 2 250.273 0.890 20 30 CCEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449290865 358251855 /nfs/dbraw/zinc/25/18/55/358251855.db2.gz ZJRCQLRQNFCWGK-LBPRGKRZSA-N 1 2 264.329 0.992 20 30 CCEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449290865 358251858 /nfs/dbraw/zinc/25/18/58/358251858.db2.gz ZJRCQLRQNFCWGK-LBPRGKRZSA-N 1 2 264.329 0.992 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000450556614 358256818 /nfs/dbraw/zinc/25/68/18/358256818.db2.gz MPRFVNVEYTXTMX-RYUDHWBXSA-N 1 2 261.387 0.823 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000450556614 358256819 /nfs/dbraw/zinc/25/68/19/358256819.db2.gz MPRFVNVEYTXTMX-RYUDHWBXSA-N 1 2 261.387 0.823 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491253377 358293476 /nfs/dbraw/zinc/29/34/76/358293476.db2.gz NHNGYRVXNYLQBD-ZDUSSCGKSA-N 1 2 295.383 0.141 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCC2)nc1 ZINC000572291094 358928451 /nfs/dbraw/zinc/92/84/51/358928451.db2.gz AICCOJXHDAHLLW-OAHLLOKOSA-N 1 2 287.367 0.865 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573625355 358985921 /nfs/dbraw/zinc/98/59/21/358985921.db2.gz GLKRIPNBJMGFTH-UHFFFAOYSA-N 1 2 271.346 0.322 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573625355 358985924 /nfs/dbraw/zinc/98/59/24/358985924.db2.gz GLKRIPNBJMGFTH-UHFFFAOYSA-N 1 2 271.346 0.322 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000584718331 359194601 /nfs/dbraw/zinc/19/46/01/359194601.db2.gz PTQQKVGNPHVJOZ-UHFFFAOYSA-N 1 2 292.339 0.775 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000584718331 359194604 /nfs/dbraw/zinc/19/46/04/359194604.db2.gz PTQQKVGNPHVJOZ-UHFFFAOYSA-N 1 2 292.339 0.775 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000588120549 359314517 /nfs/dbraw/zinc/31/45/17/359314517.db2.gz YAUATZUFIWAWKM-MWLCHTKSSA-N 1 2 299.352 0.149 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000588120549 359314521 /nfs/dbraw/zinc/31/45/21/359314521.db2.gz YAUATZUFIWAWKM-MWLCHTKSSA-N 1 2 299.352 0.149 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)CCCCCC#N)CC1 ZINC000588291102 359320507 /nfs/dbraw/zinc/32/05/07/359320507.db2.gz WHZKRXMXFXADKJ-UHFFFAOYSA-N 1 2 294.399 0.741 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000588961854 359353240 /nfs/dbraw/zinc/35/32/40/359353240.db2.gz NRXVURMXVUNUAV-UHFFFAOYSA-N 1 2 282.351 0.908 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000591060404 359551167 /nfs/dbraw/zinc/55/11/67/359551167.db2.gz UMAUWLIABZSPMC-ZJUUUORDSA-N 1 2 273.354 0.552 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000591060404 359551170 /nfs/dbraw/zinc/55/11/70/359551170.db2.gz UMAUWLIABZSPMC-ZJUUUORDSA-N 1 2 273.354 0.552 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)n1 ZINC000591230286 359571696 /nfs/dbraw/zinc/57/16/96/359571696.db2.gz UGLWJGIVIRYMFA-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000591850805 359664974 /nfs/dbraw/zinc/66/49/74/359664974.db2.gz INNLCLLLQGMRQJ-QWRGUYRKSA-N 1 2 250.302 0.643 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000591850805 359664976 /nfs/dbraw/zinc/66/49/76/359664976.db2.gz INNLCLLLQGMRQJ-QWRGUYRKSA-N 1 2 250.302 0.643 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000592125147 359760208 /nfs/dbraw/zinc/76/02/08/359760208.db2.gz QXKHRILZEWRDAR-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000592125147 359760212 /nfs/dbraw/zinc/76/02/12/359760212.db2.gz QXKHRILZEWRDAR-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO CNC(=O)NC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592125134 359759838 /nfs/dbraw/zinc/75/98/38/359759838.db2.gz QREYYAZNGUWKKD-UHFFFAOYSA-N 1 2 273.340 0.847 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000592123115 359760022 /nfs/dbraw/zinc/76/00/22/359760022.db2.gz VXAZXDYDCJNSHV-HNNXBMFYSA-N 1 2 298.350 0.874 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000592123115 359760024 /nfs/dbraw/zinc/76/00/24/359760024.db2.gz VXAZXDYDCJNSHV-HNNXBMFYSA-N 1 2 298.350 0.874 20 30 CCEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccncc1C#N ZINC000592121581 359760220 /nfs/dbraw/zinc/76/02/20/359760220.db2.gz UGGXAWMTMMUNHZ-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccncc1C#N ZINC000592121581 359760224 /nfs/dbraw/zinc/76/02/24/359760224.db2.gz UGGXAWMTMMUNHZ-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccncc1C#N ZINC000592121583 359759490 /nfs/dbraw/zinc/75/94/90/359759490.db2.gz UGGXAWMTMMUNHZ-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccncc1C#N ZINC000592121583 359759492 /nfs/dbraw/zinc/75/94/92/359759492.db2.gz UGGXAWMTMMUNHZ-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148135 359767627 /nfs/dbraw/zinc/76/76/27/359767627.db2.gz RFKARHJJNADGCQ-CQSZACIVSA-N 1 2 277.324 0.588 20 30 CCEDLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148135 359767634 /nfs/dbraw/zinc/76/76/34/359767634.db2.gz RFKARHJJNADGCQ-CQSZACIVSA-N 1 2 277.324 0.588 20 30 CCEDLO COC(=O)c1coc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152602 359769940 /nfs/dbraw/zinc/76/99/40/359769940.db2.gz YRYWYBDULJEPLA-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1coc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152602 359769945 /nfs/dbraw/zinc/76/99/45/359769945.db2.gz YRYWYBDULJEPLA-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)nc1 ZINC000592153039 359770189 /nfs/dbraw/zinc/77/01/89/359770189.db2.gz ICNNSNRDZXROCH-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)nc1 ZINC000592153039 359770192 /nfs/dbraw/zinc/77/01/92/359770192.db2.gz ICNNSNRDZXROCH-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1[nH]cc[nH+]1 ZINC000611191245 363677735 /nfs/dbraw/zinc/67/77/35/363677735.db2.gz YCYHQWVSSXXVFW-ZDUSSCGKSA-N 1 2 261.329 0.650 20 30 CCEDLO C[C@@H]1C(=O)N(C)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000592530363 359873262 /nfs/dbraw/zinc/87/32/62/359873262.db2.gz UMZQGDBJQSYULE-SNVBAGLBSA-N 1 2 269.308 0.826 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncccc2OC)CC1 ZINC000592811149 359944266 /nfs/dbraw/zinc/94/42/66/359944266.db2.gz HJAAUOKYRBVTHT-UHFFFAOYSA-N 1 2 290.367 0.514 20 30 CCEDLO C[C@H](CCC#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000592995679 360010572 /nfs/dbraw/zinc/01/05/72/360010572.db2.gz DRZGCQXZZVBSPI-GFCCVEGCSA-N 1 2 252.362 0.384 20 30 CCEDLO CCOc1cnc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000593154779 360048354 /nfs/dbraw/zinc/04/83/54/360048354.db2.gz BVDKUCKHECMEPB-CYBMUJFWSA-N 1 2 277.328 0.449 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593103098 360039807 /nfs/dbraw/zinc/03/98/07/360039807.db2.gz ABRCFURPFSNWFF-JQWIXIFHSA-N 1 2 250.302 0.879 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000593530959 360108329 /nfs/dbraw/zinc/10/83/29/360108329.db2.gz PQAVPOPYNXPEIW-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594303949 360270427 /nfs/dbraw/zinc/27/04/27/360270427.db2.gz KXAJYBHBYIDMAH-UHFFFAOYSA-N 1 2 280.372 0.478 20 30 CCEDLO C[C@H]1C[N@H+](CCNS(=O)(=O)CCCC#N)[C@@H](C)CO1 ZINC000594816955 360388894 /nfs/dbraw/zinc/38/88/94/360388894.db2.gz MVXCEOHXPWBBFE-RYUDHWBXSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H]1C[N@@H+](CCNS(=O)(=O)CCCC#N)[C@@H](C)CO1 ZINC000594816955 360388895 /nfs/dbraw/zinc/38/88/95/360388895.db2.gz MVXCEOHXPWBBFE-RYUDHWBXSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cn(C)c[nH+]1 ZINC000595337879 360499922 /nfs/dbraw/zinc/49/99/22/360499922.db2.gz CHHXANVYZOMWOX-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@H+](C)CCC#N)C1=O ZINC000595348121 360504911 /nfs/dbraw/zinc/50/49/11/360504911.db2.gz ZNFVEDHYVGVDLW-LLVKDONJSA-N 1 2 267.329 0.386 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@@H+](C)CCC#N)C1=O ZINC000595348121 360504917 /nfs/dbraw/zinc/50/49/17/360504917.db2.gz ZNFVEDHYVGVDLW-LLVKDONJSA-N 1 2 267.329 0.386 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595391171 360516880 /nfs/dbraw/zinc/51/68/80/360516880.db2.gz FVLSITHRFSMHGM-RBSFLKMASA-N 1 2 290.411 0.965 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@]1(COC)C(=O)OC ZINC000595807758 360662574 /nfs/dbraw/zinc/66/25/74/360662574.db2.gz PTKUTUKGCYFKBY-ZDUSSCGKSA-N 1 2 255.314 0.290 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@]1(COC)C(=O)OC ZINC000595807758 360662577 /nfs/dbraw/zinc/66/25/77/360662577.db2.gz PTKUTUKGCYFKBY-ZDUSSCGKSA-N 1 2 255.314 0.290 20 30 CCEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000596058989 360783435 /nfs/dbraw/zinc/78/34/35/360783435.db2.gz SWELGVLDJQNZPB-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO Cc1nc(N2CCN(c3cc(C#N)cnn3)CC2)cc[nH+]1 ZINC000596192143 360827822 /nfs/dbraw/zinc/82/78/22/360827822.db2.gz LOWFVHWBVHJXQH-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)cnn1 ZINC000596231597 360845788 /nfs/dbraw/zinc/84/57/88/360845788.db2.gz LKGHICOHBJGPMC-YPMHNXCESA-N 1 2 273.340 0.648 20 30 CCEDLO N#CCCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000597625808 361166837 /nfs/dbraw/zinc/16/68/37/361166837.db2.gz QTEJFPQGHFUQFW-AWEZNQCLSA-N 1 2 278.400 0.967 20 30 CCEDLO N#CCCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000597625808 361166839 /nfs/dbraw/zinc/16/68/39/361166839.db2.gz QTEJFPQGHFUQFW-AWEZNQCLSA-N 1 2 278.400 0.967 20 30 CCEDLO N#C[C@H](CO)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000597746404 361230510 /nfs/dbraw/zinc/23/05/10/361230510.db2.gz JODXDOFDMHLEAZ-CQSZACIVSA-N 1 2 289.335 0.133 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)[C@@H](C)CO1 ZINC000598000677 361307052 /nfs/dbraw/zinc/30/70/52/361307052.db2.gz ZCRFXXOPXOLYSJ-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)[C@@H](C)CO1 ZINC000598000677 361307059 /nfs/dbraw/zinc/30/70/59/361307059.db2.gz ZCRFXXOPXOLYSJ-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000611760729 363778287 /nfs/dbraw/zinc/77/82/87/363778287.db2.gz VPYIKSGBTYQUKM-CQSZACIVSA-N 1 2 270.373 0.493 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cscn1 ZINC000598836423 361523227 /nfs/dbraw/zinc/52/32/27/361523227.db2.gz ISFJNPGHTMLSFI-LLVKDONJSA-N 1 2 252.343 0.646 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncccc1F ZINC000598836411 361523673 /nfs/dbraw/zinc/52/36/73/361523673.db2.gz ILZKKKJSXHIUGT-LBPRGKRZSA-N 1 2 250.277 0.794 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401596 361685461 /nfs/dbraw/zinc/68/54/61/361685461.db2.gz XPXANUXDJWVYBF-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401596 361685464 /nfs/dbraw/zinc/68/54/64/361685464.db2.gz XPXANUXDJWVYBF-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000599363203 361669479 /nfs/dbraw/zinc/66/94/79/361669479.db2.gz VGVLHSBIJPRTMU-WCQYABFASA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000599363203 361669482 /nfs/dbraw/zinc/66/94/82/361669482.db2.gz VGVLHSBIJPRTMU-WCQYABFASA-N 1 2 254.330 0.926 20 30 CCEDLO Cn1c2ccccc2[nH+]c1Cn1c(=O)c(C#N)cn(C)c1=O ZINC000342710036 216486966 /nfs/dbraw/zinc/48/69/66/216486966.db2.gz NKLWHNVKZGVHPE-UHFFFAOYSA-N 1 2 295.302 0.354 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626170163 368472779 /nfs/dbraw/zinc/47/27/79/368472779.db2.gz ACTVCJYPJULLGW-HNNXBMFYSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000626170163 368472784 /nfs/dbraw/zinc/47/27/84/368472784.db2.gz ACTVCJYPJULLGW-HNNXBMFYSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920674 369463956 /nfs/dbraw/zinc/46/39/56/369463956.db2.gz NUUQLOQDDPDWKU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920674 369463961 /nfs/dbraw/zinc/46/39/61/369463961.db2.gz NUUQLOQDDPDWKU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000630610294 370207949 /nfs/dbraw/zinc/20/79/49/370207949.db2.gz ZVXSCWXMMJLZAN-UHFFFAOYSA-N 1 2 281.385 0.129 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC(C)(C)CC)nn1 ZINC000640865672 376581004 /nfs/dbraw/zinc/58/10/04/376581004.db2.gz SCTIVXCCOCHWPY-UHFFFAOYSA-N 1 2 277.372 0.696 20 30 CCEDLO CC#CCNCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055617 376723604 /nfs/dbraw/zinc/72/36/04/376723604.db2.gz SFHZNILQPDFGBY-UHFFFAOYSA-N 1 2 258.329 0.678 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)n(C)n2)nn1 ZINC000641037719 376697606 /nfs/dbraw/zinc/69/76/06/376697606.db2.gz JDOOMQMYUAZAMI-UHFFFAOYSA-N 1 2 258.329 0.481 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C)C2=O)nn1 ZINC000641086501 376761737 /nfs/dbraw/zinc/76/17/37/376761737.db2.gz ZSHDYBHMLWLPEX-GFCCVEGCSA-N 1 2 261.329 0.184 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C)C2=O)nn1 ZINC000641086502 376762565 /nfs/dbraw/zinc/76/25/65/376762565.db2.gz ZSHDYBHMLWLPEX-LBPRGKRZSA-N 1 2 261.329 0.184 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(F)c2)nn1 ZINC000641073862 376745161 /nfs/dbraw/zinc/74/51/61/376745161.db2.gz WNIMZNWFNYXUEP-UHFFFAOYSA-N 1 2 259.288 0.973 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000641108067 376787825 /nfs/dbraw/zinc/78/78/25/376787825.db2.gz HXQLXPKLQNHOKY-AWEZNQCLSA-N 1 2 287.367 0.717 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCC(C)(C)C)nn1 ZINC000641093469 376770809 /nfs/dbraw/zinc/77/08/09/376770809.db2.gz IVINHDYKTSWLCP-UHFFFAOYSA-N 1 2 277.372 0.553 20 30 CCEDLO CC#CCNCc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641166479 376834098 /nfs/dbraw/zinc/83/40/98/376834098.db2.gz TVAUOVGPIIMHLQ-UHFFFAOYSA-N 1 2 256.313 0.417 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)nnn2CC)nn1 ZINC000641175014 376845510 /nfs/dbraw/zinc/84/55/10/376845510.db2.gz HCNJPJOTFVLLNN-UHFFFAOYSA-N 1 2 273.344 0.359 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](OC)[C@H]2CCOC2)nn1 ZINC000641182565 376855745 /nfs/dbraw/zinc/85/57/45/376855745.db2.gz ADWWWIHBCITRQQ-GXTWGEPZSA-N 1 2 278.356 0.443 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](OC)[C@@H]2CCOC2)nn1 ZINC000641182569 376855824 /nfs/dbraw/zinc/85/58/24/376855824.db2.gz ADWWWIHBCITRQQ-TZMCWYRMSA-N 1 2 278.356 0.443 20 30 CCEDLO CC#CC[C@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000641766862 377452185 /nfs/dbraw/zinc/45/21/85/377452185.db2.gz COVBUFIFFRCCFB-SNVBAGLBSA-N 1 2 251.334 0.292 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000642529235 377580307 /nfs/dbraw/zinc/58/03/07/377580307.db2.gz XYGBKVHCGDMITR-JTQLQIEISA-N 1 2 260.341 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000642529235 377580309 /nfs/dbraw/zinc/58/03/09/377580309.db2.gz XYGBKVHCGDMITR-JTQLQIEISA-N 1 2 260.341 0.834 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000517403815 249218236 /nfs/dbraw/zinc/21/82/36/249218236.db2.gz DLEUHFVOCPXDMO-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000517403815 249218239 /nfs/dbraw/zinc/21/82/39/249218239.db2.gz DLEUHFVOCPXDMO-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nncn1C ZINC000571365736 291809647 /nfs/dbraw/zinc/80/96/47/291809647.db2.gz QBCDUBVFFZAAHJ-UHFFFAOYSA-N 1 2 281.323 0.966 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000280853916 195003327 /nfs/dbraw/zinc/00/33/27/195003327.db2.gz YGNDIXPZJDIBNY-DGCLKSJQSA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000280853916 195003328 /nfs/dbraw/zinc/00/33/28/195003328.db2.gz YGNDIXPZJDIBNY-DGCLKSJQSA-N 1 2 292.335 0.791 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000051906117 388927457 /nfs/dbraw/zinc/92/74/57/388927457.db2.gz BEOFCTYKODHKBX-UHFFFAOYSA-N 1 2 282.388 0.595 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000051906117 388927460 /nfs/dbraw/zinc/92/74/60/388927460.db2.gz BEOFCTYKODHKBX-UHFFFAOYSA-N 1 2 282.388 0.595 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188839081 388943140 /nfs/dbraw/zinc/94/31/40/388943140.db2.gz XNYAPWKEQIXTEP-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO COCCN1CC[N@H+](CCCSCC#N)CC1=O ZINC000091813202 389026018 /nfs/dbraw/zinc/02/60/18/389026018.db2.gz UNAHFTLOIRYYAD-UHFFFAOYSA-N 1 2 271.386 0.424 20 30 CCEDLO COCCN1CC[N@@H+](CCCSCC#N)CC1=O ZINC000091813202 389026020 /nfs/dbraw/zinc/02/60/20/389026020.db2.gz UNAHFTLOIRYYAD-UHFFFAOYSA-N 1 2 271.386 0.424 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCC2CC2)CC1 ZINC000192884992 389057318 /nfs/dbraw/zinc/05/73/18/389057318.db2.gz NQCMAVNSZQXUQK-UHFFFAOYSA-N 1 2 293.367 0.290 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCC2CC2)CC1 ZINC000192884992 389057321 /nfs/dbraw/zinc/05/73/21/389057321.db2.gz NQCMAVNSZQXUQK-UHFFFAOYSA-N 1 2 293.367 0.290 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337236242 389058055 /nfs/dbraw/zinc/05/80/55/389058055.db2.gz YABSHKPINPJNFT-AWEZNQCLSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337236242 389058058 /nfs/dbraw/zinc/05/80/58/389058058.db2.gz YABSHKPINPJNFT-AWEZNQCLSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337577657 389064170 /nfs/dbraw/zinc/06/41/70/389064170.db2.gz HDMTXNJRQGPQAD-CYBMUJFWSA-N 1 2 261.325 0.757 20 30 CCEDLO N#CCC1(O)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000193987144 389085264 /nfs/dbraw/zinc/08/52/64/389085264.db2.gz MCDISWAEGQKUQG-CYBMUJFWSA-N 1 2 293.367 0.117 20 30 CCEDLO N#CCC1(O)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000193987144 389085266 /nfs/dbraw/zinc/08/52/66/389085266.db2.gz MCDISWAEGQKUQG-CYBMUJFWSA-N 1 2 293.367 0.117 20 30 CCEDLO C=CCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000338671283 389114965 /nfs/dbraw/zinc/11/49/65/389114965.db2.gz IFEDFNNSQUTWQB-UHFFFAOYSA-N 1 2 289.383 0.681 20 30 CCEDLO Cc1ccccc1CCNC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121390340 389148395 /nfs/dbraw/zinc/14/83/95/389148395.db2.gz HEXFBLMRLNDJRJ-GFCCVEGCSA-N 1 2 293.367 0.713 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000328691920 389131921 /nfs/dbraw/zinc/13/19/21/389131921.db2.gz FCSJODPMBADPPB-NSHDSACASA-N 1 2 278.356 0.855 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000328691920 389131926 /nfs/dbraw/zinc/13/19/26/389131926.db2.gz FCSJODPMBADPPB-NSHDSACASA-N 1 2 278.356 0.855 20 30 CCEDLO CC(C)(C(=O)NC[C@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000328679574 389131966 /nfs/dbraw/zinc/13/19/66/389131966.db2.gz NASGAFNOOHQFMK-CYBMUJFWSA-N 1 2 288.413 0.922 20 30 CCEDLO CC(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328704590 389132641 /nfs/dbraw/zinc/13/26/41/389132641.db2.gz YIHARUAEJJAOPU-UHFFFAOYSA-N 1 2 269.345 0.284 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CSC2(C)C)C1 ZINC000328710855 389133664 /nfs/dbraw/zinc/13/36/64/389133664.db2.gz AWLBEKYQRHEDDC-ZJUUUORDSA-N 1 2 273.402 0.715 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CSC2(C)C)C1 ZINC000328710855 389133667 /nfs/dbraw/zinc/13/36/67/389133667.db2.gz AWLBEKYQRHEDDC-ZJUUUORDSA-N 1 2 273.402 0.715 20 30 CCEDLO CC1(C)SC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000328741489 389134919 /nfs/dbraw/zinc/13/49/19/389134919.db2.gz MIWQFPRTPKJFSK-JTQLQIEISA-N 1 2 273.402 0.716 20 30 CCEDLO CC(C)(C(=O)NC[C@H]1COCCO1)[NH+]1CCOCC1 ZINC000328761240 389136232 /nfs/dbraw/zinc/13/62/32/389136232.db2.gz XXAVBJJKJCZLHA-NSHDSACASA-N 1 2 272.345 0.469 20 30 CCEDLO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCOCC1 ZINC000328780161 389138227 /nfs/dbraw/zinc/13/82/27/389138227.db2.gz GZAGVKQKSKGIFH-LBPRGKRZSA-N 1 2 271.361 0.342 20 30 CCEDLO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCOCC1 ZINC000328780161 389138229 /nfs/dbraw/zinc/13/82/29/389138229.db2.gz GZAGVKQKSKGIFH-LBPRGKRZSA-N 1 2 271.361 0.342 20 30 CCEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NC(=O)NC1CC1 ZINC000329071731 389149777 /nfs/dbraw/zinc/14/97/77/389149777.db2.gz NWHYDMRGQHDKPR-AWEZNQCLSA-N 1 2 297.355 0.901 20 30 CCEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NC(=O)NC1CC1 ZINC000329071731 389149778 /nfs/dbraw/zinc/14/97/78/389149778.db2.gz NWHYDMRGQHDKPR-AWEZNQCLSA-N 1 2 297.355 0.901 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCOC2)C1 ZINC000329653790 389182971 /nfs/dbraw/zinc/18/29/71/389182971.db2.gz LNNJEPOWROKYGC-NWDGAFQWSA-N 1 2 271.361 0.247 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCOC2)C1 ZINC000329653790 389182972 /nfs/dbraw/zinc/18/29/72/389182972.db2.gz LNNJEPOWROKYGC-NWDGAFQWSA-N 1 2 271.361 0.247 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329852126 389205703 /nfs/dbraw/zinc/20/57/03/389205703.db2.gz UKVVJZCYYBQEKB-RYUDHWBXSA-N 1 2 279.344 0.147 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329852126 389205707 /nfs/dbraw/zinc/20/57/07/389205707.db2.gz UKVVJZCYYBQEKB-RYUDHWBXSA-N 1 2 279.344 0.147 20 30 CCEDLO C=CC[C@H](CC)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000341370820 389187663 /nfs/dbraw/zinc/18/76/63/389187663.db2.gz PHHIBYZQAZLKSY-UONOGXRCSA-N 1 2 299.415 0.676 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)C2CCCC2)C1 ZINC000329746731 389195626 /nfs/dbraw/zinc/19/56/26/389195626.db2.gz YXQSQDMAMDLXBM-OLZOCXBDSA-N 1 2 285.388 0.372 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)C2CCCC2)C1 ZINC000329746731 389195628 /nfs/dbraw/zinc/19/56/28/389195628.db2.gz YXQSQDMAMDLXBM-OLZOCXBDSA-N 1 2 285.388 0.372 20 30 CCEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1C#N ZINC000130303884 389202972 /nfs/dbraw/zinc/20/29/72/389202972.db2.gz KHUSQMCCFJKEFJ-UHFFFAOYSA-N 1 2 279.365 0.803 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000122724595 389153360 /nfs/dbraw/zinc/15/33/60/389153360.db2.gz UOSFZEMOMRFULI-UHFFFAOYSA-N 1 2 298.412 0.611 20 30 CCEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1=O ZINC000329279908 389153453 /nfs/dbraw/zinc/15/34/53/389153453.db2.gz LUVVTPMGYGZBHI-SECBINFHSA-N 1 2 265.317 0.192 20 30 CCEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1=O ZINC000329279908 389153455 /nfs/dbraw/zinc/15/34/55/389153455.db2.gz LUVVTPMGYGZBHI-SECBINFHSA-N 1 2 265.317 0.192 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[NH+]1CCOCC1 ZINC000123934663 389159086 /nfs/dbraw/zinc/15/90/86/389159086.db2.gz KWDDSTUNYKCUHN-UHFFFAOYSA-N 1 2 271.361 0.211 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(C)CCOC1 ZINC000329381905 389160515 /nfs/dbraw/zinc/16/05/15/389160515.db2.gz OFKWHKLSZDEMMW-OCCSQVGLSA-N 1 2 285.388 0.637 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCOC1 ZINC000329526603 389168765 /nfs/dbraw/zinc/16/87/65/389168765.db2.gz HQAMBXDVVFABLX-AWEZNQCLSA-N 1 2 285.388 0.591 20 30 CCEDLO O=C(NCC1CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329558951 389171125 /nfs/dbraw/zinc/17/11/25/389171125.db2.gz LSJCXHCJEYSEGO-UHFFFAOYSA-N 1 2 293.371 0.373 20 30 CCEDLO C[C@H](C(=O)N1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000359347853 389171253 /nfs/dbraw/zinc/17/12/53/389171253.db2.gz IUNWNXIYSCFXHS-LLVKDONJSA-N 1 2 269.320 0.561 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000330589183 389244091 /nfs/dbraw/zinc/24/40/91/389244091.db2.gz UMXJBIFRVOCZCJ-JHJVBQTASA-N 1 2 268.357 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000330589183 389244095 /nfs/dbraw/zinc/24/40/95/389244095.db2.gz UMXJBIFRVOCZCJ-JHJVBQTASA-N 1 2 268.357 0.150 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc(N(C)C)cn1 ZINC000330626192 389247928 /nfs/dbraw/zinc/24/79/28/389247928.db2.gz UZHFPRJVGANXDR-LLVKDONJSA-N 1 2 293.371 0.568 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000249735702 389258650 /nfs/dbraw/zinc/25/86/50/389258650.db2.gz FJTCHMRNBHRTER-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000249735702 389258652 /nfs/dbraw/zinc/25/86/52/389258652.db2.gz FJTCHMRNBHRTER-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000136070444 389264040 /nfs/dbraw/zinc/26/40/40/389264040.db2.gz QSIIAEWEBXGMHY-UHFFFAOYSA-N 1 2 265.313 0.859 20 30 CCEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1cccs1 ZINC000136072025 389264322 /nfs/dbraw/zinc/26/43/22/389264322.db2.gz YVNMBXVWEVMYCA-MRVPVSSYSA-N 1 2 271.342 0.597 20 30 CCEDLO C=CCOC[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000361107409 389208512 /nfs/dbraw/zinc/20/85/12/389208512.db2.gz AKJWROIVMUMNCG-JTQLQIEISA-N 1 2 253.302 0.254 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329921444 389211348 /nfs/dbraw/zinc/21/13/48/389211348.db2.gz FROBYIMONALTQR-SSDOTTSWSA-N 1 2 257.315 0.484 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329921444 389211349 /nfs/dbraw/zinc/21/13/49/389211349.db2.gz FROBYIMONALTQR-SSDOTTSWSA-N 1 2 257.315 0.484 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136211205 389265335 /nfs/dbraw/zinc/26/53/35/389265335.db2.gz BVUHBYODMJSXRY-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC000329964796 389214168 /nfs/dbraw/zinc/21/41/68/389214168.db2.gz URWROUWCEWSPQH-VXGBXAGGSA-N 1 2 262.313 0.642 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC000329964796 389214170 /nfs/dbraw/zinc/21/41/70/389214170.db2.gz URWROUWCEWSPQH-VXGBXAGGSA-N 1 2 262.313 0.642 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC000330392153 389224256 /nfs/dbraw/zinc/22/42/56/389224256.db2.gz PPWSTCUEJYIPSV-NSHDSACASA-N 1 2 279.344 0.501 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC000330392153 389224259 /nfs/dbraw/zinc/22/42/59/389224259.db2.gz PPWSTCUEJYIPSV-NSHDSACASA-N 1 2 279.344 0.501 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C(N)=O ZINC000330393448 389224501 /nfs/dbraw/zinc/22/45/01/389224501.db2.gz CASHSFNIDTUDDT-JTQLQIEISA-N 1 2 286.376 0.772 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246187956 389225276 /nfs/dbraw/zinc/22/52/76/389225276.db2.gz WVVKAUBXPDRUGR-HTQZYQBOSA-N 1 2 297.277 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246187956 389225278 /nfs/dbraw/zinc/22/52/78/389225278.db2.gz WVVKAUBXPDRUGR-HTQZYQBOSA-N 1 2 297.277 0.242 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1c([N+](=O)[O-])ncn1C ZINC000361999154 389227726 /nfs/dbraw/zinc/22/77/26/389227726.db2.gz HYPNSWIXQYTWBJ-UHFFFAOYSA-N 1 2 254.290 0.963 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1c([N+](=O)[O-])ncn1C ZINC000361999154 389227728 /nfs/dbraw/zinc/22/77/28/389227728.db2.gz HYPNSWIXQYTWBJ-UHFFFAOYSA-N 1 2 254.290 0.963 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000330469989 389233212 /nfs/dbraw/zinc/23/32/12/389233212.db2.gz MAPIPKSXYXTGIC-LBPRGKRZSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000330469989 389233214 /nfs/dbraw/zinc/23/32/14/389233214.db2.gz MAPIPKSXYXTGIC-LBPRGKRZSA-N 1 2 288.413 0.528 20 30 CCEDLO CC(=O)NC[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330473264 389233801 /nfs/dbraw/zinc/23/38/01/389233801.db2.gz GFKLSZBCFBQVMQ-CYBMUJFWSA-N 1 2 293.371 0.645 20 30 CCEDLO CC(=O)NC[C@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330473264 389233805 /nfs/dbraw/zinc/23/38/05/389233805.db2.gz GFKLSZBCFBQVMQ-CYBMUJFWSA-N 1 2 293.371 0.645 20 30 CCEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](C(N)=O)O1 ZINC000156946379 389328290 /nfs/dbraw/zinc/32/82/90/389328290.db2.gz XXIMKJQJVYBTSY-RISCZKNCSA-N 1 2 276.311 0.752 20 30 CCEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](C(N)=O)O1 ZINC000156946379 389328294 /nfs/dbraw/zinc/32/82/94/389328294.db2.gz XXIMKJQJVYBTSY-RISCZKNCSA-N 1 2 276.311 0.752 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N2CCO[C@H](C#N)C2)c[nH+]1 ZINC000264431699 389328309 /nfs/dbraw/zinc/32/83/09/389328309.db2.gz XDCNPMSNWLRFQX-GFCCVEGCSA-N 1 2 289.339 0.582 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1Cl ZINC000264611263 389338365 /nfs/dbraw/zinc/33/83/65/389338365.db2.gz FMEBWYVOTSNIIG-UHFFFAOYSA-N 1 2 278.743 0.819 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000408458940 389353511 /nfs/dbraw/zinc/35/35/11/389353511.db2.gz WDKOKALHXGOJGE-UHFFFAOYSA-N 1 2 273.402 0.894 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c[nH+]cn1C ZINC000349804838 389438767 /nfs/dbraw/zinc/43/87/67/389438767.db2.gz VWAAVYMTLPCWEZ-JTQLQIEISA-N 1 2 285.373 0.236 20 30 CCEDLO C[C@@H](CC#N)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000175790426 389547180 /nfs/dbraw/zinc/54/71/80/389547180.db2.gz HZGQQPSFGHGHIS-ZDUSSCGKSA-N 1 2 287.367 0.622 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)C1CC1 ZINC000274182232 389495448 /nfs/dbraw/zinc/49/54/48/389495448.db2.gz PAGCHEKWTADSCH-MRXNPFEDSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)C1CC1 ZINC000274182232 389495451 /nfs/dbraw/zinc/49/54/51/389495451.db2.gz PAGCHEKWTADSCH-MRXNPFEDSA-N 1 2 299.374 0.688 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCCOC)C1=O ZINC000281375199 389615304 /nfs/dbraw/zinc/61/53/04/389615304.db2.gz ORSWPHAGAZFJES-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCCOC)C1=O ZINC000281375199 389615306 /nfs/dbraw/zinc/61/53/06/389615306.db2.gz ORSWPHAGAZFJES-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000424743555 389630465 /nfs/dbraw/zinc/63/04/65/389630465.db2.gz SXDCSCWGAKTWDW-UHFFFAOYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)C(=O)C2(C)C)C1=O ZINC000281899133 389633216 /nfs/dbraw/zinc/63/32/16/389633216.db2.gz FOAXSSRMBLBOBV-LLVKDONJSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)C(=O)C2(C)C)C1=O ZINC000281899133 389633220 /nfs/dbraw/zinc/63/32/20/389633220.db2.gz FOAXSSRMBLBOBV-LLVKDONJSA-N 1 2 265.357 0.326 20 30 CCEDLO COc1ccc(CC(N)=[NH+]O[C@@H]2CCNC2=O)cc1 ZINC000179118738 389639336 /nfs/dbraw/zinc/63/93/36/389639336.db2.gz KQWOJORVQOETBQ-LLVKDONJSA-N 1 2 263.297 0.415 20 30 CCEDLO C=CCn1cc(CNc2nc(N(C)C)nc(C)[nH+]2)nn1 ZINC000425261232 389643556 /nfs/dbraw/zinc/64/35/56/389643556.db2.gz CXLWBQHYNZOETH-UHFFFAOYSA-N 1 2 274.332 0.058 20 30 CCEDLO C=CCn1cc(CNc2nc(C)[nH+]c(N(C)C)n2)nn1 ZINC000425261232 389643566 /nfs/dbraw/zinc/64/35/66/389643566.db2.gz CXLWBQHYNZOETH-UHFFFAOYSA-N 1 2 274.332 0.058 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2noc(C)n2)CC1 ZINC000351340123 389575999 /nfs/dbraw/zinc/57/59/99/389575999.db2.gz NSXWNEVCGFMVKA-LLVKDONJSA-N 1 2 293.371 0.359 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178307448 389601678 /nfs/dbraw/zinc/60/16/78/389601678.db2.gz QUDUKNDJDZCBIV-HUUCEWRRSA-N 1 2 284.363 0.757 20 30 CCEDLO C#CC[N@@H+](CC)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000280775352 389604641 /nfs/dbraw/zinc/60/46/41/389604641.db2.gz ASSXXQVAKQLHCR-UHFFFAOYSA-N 1 2 297.424 1.000 20 30 CCEDLO C#CC[N@H+](CC)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000280775352 389604646 /nfs/dbraw/zinc/60/46/46/389604646.db2.gz ASSXXQVAKQLHCR-UHFFFAOYSA-N 1 2 297.424 1.000 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000375842981 389719200 /nfs/dbraw/zinc/71/92/00/389719200.db2.gz ADKIIXGGDWZGDY-HZMBPMFUSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000375842981 389719202 /nfs/dbraw/zinc/71/92/02/389719202.db2.gz ADKIIXGGDWZGDY-HZMBPMFUSA-N 1 2 278.356 0.005 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000282055321 389651773 /nfs/dbraw/zinc/65/17/73/389651773.db2.gz RVSXZJQFSXUXHW-GXSJLCMTSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000282055321 389651776 /nfs/dbraw/zinc/65/17/76/389651776.db2.gz RVSXZJQFSXUXHW-GXSJLCMTSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282309360 389660447 /nfs/dbraw/zinc/66/04/47/389660447.db2.gz SZOPDUFMFMNHNG-STQMWFEESA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282309360 389660452 /nfs/dbraw/zinc/66/04/52/389660452.db2.gz SZOPDUFMFMNHNG-STQMWFEESA-N 1 2 279.384 0.738 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000426188128 389662459 /nfs/dbraw/zinc/66/24/59/389662459.db2.gz FSGVCZJRPMMMSK-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000426188128 389662462 /nfs/dbraw/zinc/66/24/62/389662462.db2.gz FSGVCZJRPMMMSK-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccccn1 ZINC000180625820 389672840 /nfs/dbraw/zinc/67/28/40/389672840.db2.gz KJLUFVATJISJQF-UHFFFAOYSA-N 1 2 250.302 0.203 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@]23CCOC3)C1=O ZINC000375609494 389691992 /nfs/dbraw/zinc/69/19/92/389691992.db2.gz AUHCVKKLQHTKBS-TZMCWYRMSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@]23CCOC3)C1=O ZINC000375609494 389691995 /nfs/dbraw/zinc/69/19/95/389691995.db2.gz AUHCVKKLQHTKBS-TZMCWYRMSA-N 1 2 266.341 0.265 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375715756 389703666 /nfs/dbraw/zinc/70/36/66/389703666.db2.gz DVMCAKPXLXPZSM-CQSZACIVSA-N 1 2 280.372 0.207 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375715756 389703672 /nfs/dbraw/zinc/70/36/72/389703672.db2.gz DVMCAKPXLXPZSM-CQSZACIVSA-N 1 2 280.372 0.207 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@H](O)C2)CCCCC1 ZINC000399876057 389795011 /nfs/dbraw/zinc/79/50/11/389795011.db2.gz WEYZESPFOPJNBT-GFCCVEGCSA-N 1 2 281.356 0.022 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@H](O)C2)CCCCC1 ZINC000399876057 389795013 /nfs/dbraw/zinc/79/50/13/389795013.db2.gz WEYZESPFOPJNBT-GFCCVEGCSA-N 1 2 281.356 0.022 20 30 CCEDLO CCN(CCC#N)C(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000376268891 389731796 /nfs/dbraw/zinc/73/17/96/389731796.db2.gz WZXPKCGWRWNTQJ-UHFFFAOYSA-N 1 2 275.356 0.769 20 30 CCEDLO N#CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000408312838 389841884 /nfs/dbraw/zinc/84/18/84/389841884.db2.gz DGTMATXRCXYDDI-UHFFFAOYSA-N 1 2 278.356 0.057 20 30 CCEDLO N#CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000408312838 389841886 /nfs/dbraw/zinc/84/18/86/389841886.db2.gz DGTMATXRCXYDDI-UHFFFAOYSA-N 1 2 278.356 0.057 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)s1 ZINC000443857745 389886350 /nfs/dbraw/zinc/88/63/50/389886350.db2.gz PGPPOOURCBKGEV-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)s1 ZINC000443857745 389886351 /nfs/dbraw/zinc/88/63/51/389886351.db2.gz PGPPOOURCBKGEV-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433296657 389907811 /nfs/dbraw/zinc/90/78/11/389907811.db2.gz SVQQHUGLVPXRCG-UHFFFAOYSA-N 1 2 268.361 0.950 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433296657 389907813 /nfs/dbraw/zinc/90/78/13/389907813.db2.gz SVQQHUGLVPXRCG-UHFFFAOYSA-N 1 2 268.361 0.950 20 30 CCEDLO C=C(C)COCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433915232 389920876 /nfs/dbraw/zinc/92/08/76/389920876.db2.gz NXZXRJBWHAUKRH-UHFFFAOYSA-N 1 2 297.399 0.743 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C)C[C@H](C)C#N)nn1 ZINC000446829072 389941695 /nfs/dbraw/zinc/94/16/95/389941695.db2.gz CTFVNXZFGRUCFT-SNVBAGLBSA-N 1 2 265.317 0.085 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C)C[C@H](C)C#N)nn1 ZINC000446829072 389941697 /nfs/dbraw/zinc/94/16/97/389941697.db2.gz CTFVNXZFGRUCFT-SNVBAGLBSA-N 1 2 265.317 0.085 20 30 CCEDLO C=CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000447947079 389974114 /nfs/dbraw/zinc/97/41/14/389974114.db2.gz AKAHGOJJIUNTQT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000447947079 389974116 /nfs/dbraw/zinc/97/41/16/389974116.db2.gz AKAHGOJJIUNTQT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/C1CCOCC1 ZINC000493060642 390118842 /nfs/dbraw/zinc/11/88/42/390118842.db2.gz YLYFALDLDHSUPG-ISZGNANSSA-N 1 2 265.357 0.929 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000491420027 390113311 /nfs/dbraw/zinc/11/33/11/390113311.db2.gz WOKFNLPCKNTFMD-MJBXVCDLSA-N 1 2 285.409 0.660 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000491420027 390113312 /nfs/dbraw/zinc/11/33/12/390113312.db2.gz WOKFNLPCKNTFMD-MJBXVCDLSA-N 1 2 285.409 0.660 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000579234311 390155014 /nfs/dbraw/zinc/15/50/14/390155014.db2.gz ZCGJQRDDWLCWSA-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000579234311 390155016 /nfs/dbraw/zinc/15/50/16/390155016.db2.gz ZCGJQRDDWLCWSA-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO Cc1cc(N2CC3(C2)CN(C)C(=O)O3)c(C#N)c[nH+]1 ZINC000496161037 390311586 /nfs/dbraw/zinc/31/15/86/390311586.db2.gz YGPVOWXOCIQDRB-UHFFFAOYSA-N 1 2 258.281 0.903 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000645099171 390370695 /nfs/dbraw/zinc/37/06/95/390370695.db2.gz DZBWISGMGACHJC-LBPRGKRZSA-N 1 2 264.329 0.347 20 30 CCEDLO CC#CC[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000645406092 390421544 /nfs/dbraw/zinc/42/15/44/390421544.db2.gz QVIYGQRPINHCFT-JTQLQIEISA-N 1 2 256.309 0.650 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000562445964 390489272 /nfs/dbraw/zinc/48/92/72/390489272.db2.gz CQBGXWCZERSIDY-NWDGAFQWSA-N 1 2 268.361 0.508 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000564916760 390498059 /nfs/dbraw/zinc/49/80/59/390498059.db2.gz RKLVDBJTCQGLBP-IINYFYTJSA-N 1 2 280.372 0.237 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(CC#N)CC1 ZINC000514822941 390469860 /nfs/dbraw/zinc/46/98/60/390469860.db2.gz AILMZGLQROSFNP-UHFFFAOYSA-N 1 2 280.372 0.654 20 30 CCEDLO Cc1cc(=NC(=O)NCc2c[nH+]cn2C)[nH]n1CCC#N ZINC000515921677 390478790 /nfs/dbraw/zinc/47/87/90/390478790.db2.gz IJQVMQAEBOQJSH-UHFFFAOYSA-N 1 2 287.327 0.582 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000522286882 390631928 /nfs/dbraw/zinc/63/19/28/390631928.db2.gz IZCLHIACTCIODS-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000522286882 390631930 /nfs/dbraw/zinc/63/19/30/390631930.db2.gz IZCLHIACTCIODS-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C#N)CCO1 ZINC000523077608 390633726 /nfs/dbraw/zinc/63/37/26/390633726.db2.gz SPUCJEWCCJSXPW-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C#N)CCO1 ZINC000523077608 390633730 /nfs/dbraw/zinc/63/37/30/390633730.db2.gz SPUCJEWCCJSXPW-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cncc(C#N)n1 ZINC000566793609 390647715 /nfs/dbraw/zinc/64/77/15/390647715.db2.gz XROCNIVGEBCOBG-AAEUAGOBSA-N 1 2 273.340 0.648 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000567798832 390711249 /nfs/dbraw/zinc/71/12/49/390711249.db2.gz TVXILZUDYUKYKD-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000567798832 390711250 /nfs/dbraw/zinc/71/12/50/390711250.db2.gz TVXILZUDYUKYKD-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CNC(=O)CCSC[C@@H](O)C[N@H+](C)CCC#N ZINC000570635637 390718747 /nfs/dbraw/zinc/71/87/47/390718747.db2.gz PPFQYXKGWAVXNL-JTQLQIEISA-N 1 2 259.375 0.062 20 30 CCEDLO CNC(=O)CCSC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570635637 390718750 /nfs/dbraw/zinc/71/87/50/390718750.db2.gz PPFQYXKGWAVXNL-JTQLQIEISA-N 1 2 259.375 0.062 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000646614732 390700398 /nfs/dbraw/zinc/70/03/98/390700398.db2.gz ILEHFCNIASQUSK-LBPRGKRZSA-N 1 2 277.324 0.081 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](F)C[C@H](O)C1 ZINC000528548136 390756669 /nfs/dbraw/zinc/75/66/69/390756669.db2.gz ACUCMRWUJDMPSH-RDBSUJKOSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H](O)C1 ZINC000528548136 390756670 /nfs/dbraw/zinc/75/66/70/390756670.db2.gz ACUCMRWUJDMPSH-RDBSUJKOSA-N 1 2 294.326 0.703 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329269224 533386380 /nfs/dbraw/zinc/38/63/80/533386380.db2.gz GUZNDTBJLLHFAO-FRRDWIJNSA-N 1 2 285.388 0.636 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329269224 533386384 /nfs/dbraw/zinc/38/63/84/533386384.db2.gz GUZNDTBJLLHFAO-FRRDWIJNSA-N 1 2 285.388 0.636 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361748106 533512368 /nfs/dbraw/zinc/51/23/68/533512368.db2.gz GMRODQXBLASTOV-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)c(F)c1 ZINC000191914336 130328778 /nfs/dbraw/zinc/32/87/78/130328778.db2.gz NMLMGQBFHABFKE-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)c(F)c1 ZINC000191914336 130328781 /nfs/dbraw/zinc/32/87/81/130328781.db2.gz NMLMGQBFHABFKE-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000268457198 132012053 /nfs/dbraw/zinc/01/20/53/132012053.db2.gz NJZKVYOOJMLHCH-RISCZKNCSA-N 1 2 289.335 0.512 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000268457198 132012055 /nfs/dbraw/zinc/01/20/55/132012055.db2.gz NJZKVYOOJMLHCH-RISCZKNCSA-N 1 2 289.335 0.512 20 30 CCEDLO COCC[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268507040 132019662 /nfs/dbraw/zinc/01/96/62/132019662.db2.gz RGQAZYBWHBKLNH-UHFFFAOYSA-N 1 2 291.311 0.630 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368330218 144218390 /nfs/dbraw/zinc/21/83/90/144218390.db2.gz DIZHWJLTRSJCPB-YJNKXOJESA-N 1 2 286.331 0.942 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368330218 144218392 /nfs/dbraw/zinc/21/83/92/144218392.db2.gz DIZHWJLTRSJCPB-YJNKXOJESA-N 1 2 286.331 0.942 20 30 CCEDLO Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)c(C)c[nH+]1 ZINC000545198433 285854139 /nfs/dbraw/zinc/85/41/39/285854139.db2.gz ZFASAHZDRDUMSH-JTQLQIEISA-N 1 2 270.296 0.783 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCc1c[nH+]cn1C ZINC000552363785 286164284 /nfs/dbraw/zinc/16/42/84/286164284.db2.gz IUIWGDBABNQKMW-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH+]1CCOCC1 ZINC000175261348 411732332 /nfs/dbraw/zinc/73/23/32/411732332.db2.gz GZFZCTUZDMDFIL-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO N#Cc1ccnc(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000285516436 196312147 /nfs/dbraw/zinc/31/21/47/196312147.db2.gz GICKTNURNBGOCR-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2ncns2)CC1 ZINC000660705502 414452787 /nfs/dbraw/zinc/45/27/87/414452787.db2.gz DYZWEUZVJAGQFA-SNVBAGLBSA-N 1 2 254.359 0.597 20 30 CCEDLO CCC#C[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681887 414662288 /nfs/dbraw/zinc/66/22/88/414662288.db2.gz HTJWRBUITNVLMK-NWDGAFQWSA-N 1 2 258.387 0.754 20 30 CCEDLO CCC#C[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681887 414662290 /nfs/dbraw/zinc/66/22/90/414662290.db2.gz HTJWRBUITNVLMK-NWDGAFQWSA-N 1 2 258.387 0.754 20 30 CCEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347259440 226104198 /nfs/dbraw/zinc/10/41/98/226104198.db2.gz YWWAXWFVAAEZSS-CYBMUJFWSA-N 1 2 278.356 0.279 20 30 CCEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347259440 226104201 /nfs/dbraw/zinc/10/42/01/226104201.db2.gz YWWAXWFVAAEZSS-CYBMUJFWSA-N 1 2 278.356 0.279 20 30 CCEDLO Cc1nccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000330150115 227036393 /nfs/dbraw/zinc/03/63/93/227036393.db2.gz KNHMXQJTWXPRBY-GFCCVEGCSA-N 1 2 291.355 0.737 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329026419 227263062 /nfs/dbraw/zinc/26/30/62/227263062.db2.gz OCBQMYHVTZCYRJ-GHMZBOCLSA-N 1 2 293.371 0.587 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329026419 227263066 /nfs/dbraw/zinc/26/30/66/227263066.db2.gz OCBQMYHVTZCYRJ-GHMZBOCLSA-N 1 2 293.371 0.587 20 30 CCEDLO O=C1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)CCN1 ZINC000329128642 227315504 /nfs/dbraw/zinc/31/55/04/227315504.db2.gz VNXPNFMLVFSLIN-UHFFFAOYSA-N 1 2 251.290 0.459 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CCNC(=O)CC1 ZINC000329128642 227315509 /nfs/dbraw/zinc/31/55/09/227315509.db2.gz VNXPNFMLVFSLIN-UHFFFAOYSA-N 1 2 251.290 0.459 20 30 CCEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC1 ZINC000329718847 227912588 /nfs/dbraw/zinc/91/25/88/227912588.db2.gz ZMGRGCHTPLLRPJ-UHFFFAOYSA-N 1 2 279.344 0.126 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CC[S@@](=O)C1 ZINC000329999037 228011978 /nfs/dbraw/zinc/01/19/78/228011978.db2.gz UATJFUXDVRRBOR-NLUKRNMASA-N 1 2 298.412 0.852 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329999037 228011981 /nfs/dbraw/zinc/01/19/81/228011981.db2.gz UATJFUXDVRRBOR-NLUKRNMASA-N 1 2 298.412 0.852 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@@H]1CC[S@@](=O)C1 ZINC000329999037 228011984 /nfs/dbraw/zinc/01/19/84/228011984.db2.gz UATJFUXDVRRBOR-NLUKRNMASA-N 1 2 298.412 0.852 20 30 CCEDLO CN(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000115632868 228056457 /nfs/dbraw/zinc/05/64/57/228056457.db2.gz XREQFVHCGBADAN-UHFFFAOYSA-N 1 2 254.334 0.216 20 30 CCEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(CO)COC1 ZINC000330212934 228067511 /nfs/dbraw/zinc/06/75/11/228067511.db2.gz DYLMNEGNRIQVOY-QMMMGPOBSA-N 1 2 251.286 0.232 20 30 CCEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(CO)COC1 ZINC000330212934 228067514 /nfs/dbraw/zinc/06/75/14/228067514.db2.gz DYLMNEGNRIQVOY-QMMMGPOBSA-N 1 2 251.286 0.232 20 30 CCEDLO O=C(NCCc1[nH]cc[nH+]1)c1cc2n(n1)CCCO2 ZINC000330311685 228135417 /nfs/dbraw/zinc/13/54/17/228135417.db2.gz VXFMXXKEDZBPOG-UHFFFAOYSA-N 1 2 261.285 0.936 20 30 CCEDLO C[C@H](CNC(=O)N[C@H]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000330341432 228160425 /nfs/dbraw/zinc/16/04/25/228160425.db2.gz ZFEDNAQXKSCRGR-UPJWGTAASA-N 1 2 285.388 0.636 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2CCCCC2=O)C1 ZINC000329218866 545021284 /nfs/dbraw/zinc/02/12/84/545021284.db2.gz ALINJENUKYIYTL-GFCCVEGCSA-N 1 2 282.388 0.201 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2CCCCC2=O)C1 ZINC000329218866 545021285 /nfs/dbraw/zinc/02/12/85/545021285.db2.gz ALINJENUKYIYTL-GFCCVEGCSA-N 1 2 282.388 0.201 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000342016033 545056322 /nfs/dbraw/zinc/05/63/22/545056322.db2.gz VYEVOIKOACANKH-AWEZNQCLSA-N 1 2 284.400 0.742 20 30 CCEDLO CC1(C)C[N@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000188087379 260071552 /nfs/dbraw/zinc/07/15/52/260071552.db2.gz CVIWLZJAJBYGKG-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO CC1(C)C[N@@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000188087379 260071554 /nfs/dbraw/zinc/07/15/54/260071554.db2.gz CVIWLZJAJBYGKG-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988382 260151548 /nfs/dbraw/zinc/15/15/48/260151548.db2.gz CGGXWCHLKXPJFZ-NEPJUHHUSA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000088475189 260232831 /nfs/dbraw/zinc/23/28/31/260232831.db2.gz RKLBHDQHBOXWHK-NSHDSACASA-N 1 2 280.353 0.445 20 30 CCEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000156717565 260805253 /nfs/dbraw/zinc/80/52/53/260805253.db2.gz SCQBCRSNPIQJOU-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000156717565 260805254 /nfs/dbraw/zinc/80/52/54/260805254.db2.gz SCQBCRSNPIQJOU-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(Cl)nc1 ZINC000131554833 260876655 /nfs/dbraw/zinc/87/66/55/260876655.db2.gz ZCJSQPWXYHHGHX-UHFFFAOYSA-N 1 2 284.747 0.856 20 30 CCEDLO CC[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(N)=O ZINC000159458659 261186671 /nfs/dbraw/zinc/18/66/71/261186671.db2.gz BMMBECNVDLQTMA-SNVBAGLBSA-N 1 2 263.297 0.522 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248960208 261223874 /nfs/dbraw/zinc/22/38/74/261223874.db2.gz GIAKAXLXVZXDLM-MELADBBJSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000248960208 261223875 /nfs/dbraw/zinc/22/38/75/261223875.db2.gz GIAKAXLXVZXDLM-MELADBBJSA-N 1 2 284.400 0.881 20 30 CCEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000249139989 261246684 /nfs/dbraw/zinc/24/66/84/261246684.db2.gz FMAOQFSQWFRZAL-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000249139989 261246686 /nfs/dbraw/zinc/24/66/86/261246686.db2.gz FMAOQFSQWFRZAL-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@]([NH2+]CC(=O)NCC#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177392197 261353355 /nfs/dbraw/zinc/35/33/55/261353355.db2.gz UQJOKIFJXJSKSQ-CYBMUJFWSA-N 1 2 294.742 0.270 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491220109 261373247 /nfs/dbraw/zinc/37/32/47/261373247.db2.gz KIZMNUJIZRVCQZ-MGPQQGTHSA-N 1 2 279.384 0.903 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000364589274 262254558 /nfs/dbraw/zinc/25/45/58/262254558.db2.gz CMUMMSYMOHWTCK-JTQLQIEISA-N 1 2 275.299 0.450 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000364589274 262254560 /nfs/dbraw/zinc/25/45/60/262254560.db2.gz CMUMMSYMOHWTCK-JTQLQIEISA-N 1 2 275.299 0.450 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000369026359 262273426 /nfs/dbraw/zinc/27/34/26/262273426.db2.gz HLWGLHAXTCSZTR-LBPRGKRZSA-N 1 2 297.424 0.328 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000369026359 262273427 /nfs/dbraw/zinc/27/34/27/262273427.db2.gz HLWGLHAXTCSZTR-LBPRGKRZSA-N 1 2 297.424 0.328 20 30 CCEDLO CN(CC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365107929 262278790 /nfs/dbraw/zinc/27/87/90/262278790.db2.gz AHCZWGLHFAKXTI-GFCCVEGCSA-N 1 2 251.330 0.612 20 30 CCEDLO CN(CC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365107929 262278791 /nfs/dbraw/zinc/27/87/91/262278791.db2.gz AHCZWGLHFAKXTI-GFCCVEGCSA-N 1 2 251.330 0.612 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000336728019 262385049 /nfs/dbraw/zinc/38/50/49/262385049.db2.gz NADXCJKLGPXCCJ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000336728019 262385051 /nfs/dbraw/zinc/38/50/51/262385051.db2.gz NADXCJKLGPXCCJ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264527555 262889910 /nfs/dbraw/zinc/88/99/10/262889910.db2.gz CKCHQMSJEWQYIV-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264527555 262889911 /nfs/dbraw/zinc/88/99/11/262889911.db2.gz CKCHQMSJEWQYIV-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO N#CCc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000270539593 262989176 /nfs/dbraw/zinc/98/91/76/262989176.db2.gz PPQTUMLTJQPKRM-HNNXBMFYSA-N 1 2 284.363 0.482 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)CCC#N)C1=O ZINC000281437136 263068979 /nfs/dbraw/zinc/06/89/79/263068979.db2.gz SWFKULPCLZUVTN-CYBMUJFWSA-N 1 2 292.383 0.467 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)CCC#N)C1=O ZINC000281437136 263068980 /nfs/dbraw/zinc/06/89/80/263068980.db2.gz SWFKULPCLZUVTN-CYBMUJFWSA-N 1 2 292.383 0.467 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccco1)[C@H]1CCCO1 ZINC000283997206 263085315 /nfs/dbraw/zinc/08/53/15/263085315.db2.gz HFRYUBFPKJOGFY-SNVBAGLBSA-N 1 2 267.285 0.364 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340227080 263098290 /nfs/dbraw/zinc/09/82/90/263098290.db2.gz VVUFAAPQABRSNG-NEPJUHHUSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227080 263098291 /nfs/dbraw/zinc/09/82/91/263098291.db2.gz VVUFAAPQABRSNG-NEPJUHHUSA-N 1 2 265.357 0.396 20 30 CCEDLO Cn1nncc1CO[NH+]=C(N)COc1cccc(F)c1 ZINC000289335352 263109125 /nfs/dbraw/zinc/10/91/25/263109125.db2.gz FDFDAEIDJGJNNF-UHFFFAOYSA-N 1 2 279.275 0.822 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366663760 263111013 /nfs/dbraw/zinc/11/10/13/263111013.db2.gz NCHQQGNSNBAALG-LBPRGKRZSA-N 1 2 274.386 0.299 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000292189596 263129251 /nfs/dbraw/zinc/12/92/51/263129251.db2.gz MZCDRUVIJZHNBM-UHFFFAOYSA-N 1 2 264.329 0.718 20 30 CCEDLO C=CC[N@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000292189596 263129252 /nfs/dbraw/zinc/12/92/52/263129252.db2.gz MZCDRUVIJZHNBM-UHFFFAOYSA-N 1 2 264.329 0.718 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cnnn1C ZINC000960502778 649854804 /nfs/dbraw/zinc/85/48/04/649854804.db2.gz NXYXLTQRIBWTFN-NEPJUHHUSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cnnn1C ZINC000960502778 649854807 /nfs/dbraw/zinc/85/48/07/649854807.db2.gz NXYXLTQRIBWTFN-NEPJUHHUSA-N 1 2 290.371 0.398 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330773157 264034327 /nfs/dbraw/zinc/03/43/27/264034327.db2.gz WYXGXDBBEIMPTA-QWRGUYRKSA-N 1 2 298.387 0.416 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330773157 264034328 /nfs/dbraw/zinc/03/43/28/264034328.db2.gz WYXGXDBBEIMPTA-QWRGUYRKSA-N 1 2 298.387 0.416 20 30 CCEDLO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)n(C)n1 ZINC000330818632 264046468 /nfs/dbraw/zinc/04/64/68/264046468.db2.gz GRMPKBISDOWLRR-MNOVXSKESA-N 1 2 261.329 0.949 20 30 CCEDLO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)n(C)n1 ZINC000330818634 264046531 /nfs/dbraw/zinc/04/65/31/264046531.db2.gz GRMPKBISDOWLRR-WDEREUQCSA-N 1 2 261.329 0.949 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000330941728 264083652 /nfs/dbraw/zinc/08/36/52/264083652.db2.gz FWOCVEBLNFTPJV-GFCCVEGCSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000330941728 264083653 /nfs/dbraw/zinc/08/36/53/264083653.db2.gz FWOCVEBLNFTPJV-GFCCVEGCSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000330945132 264085180 /nfs/dbraw/zinc/08/51/80/264085180.db2.gz JOAIZALDTBGPEO-QMMMGPOBSA-N 1 2 296.293 0.215 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000330945132 264085182 /nfs/dbraw/zinc/08/51/82/264085182.db2.gz JOAIZALDTBGPEO-QMMMGPOBSA-N 1 2 296.293 0.215 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000330956088 264087645 /nfs/dbraw/zinc/08/76/45/264087645.db2.gz UNVOBASHAYPHHT-SECBINFHSA-N 1 2 281.312 0.356 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000330956088 264087646 /nfs/dbraw/zinc/08/76/46/264087646.db2.gz UNVOBASHAYPHHT-SECBINFHSA-N 1 2 281.312 0.356 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330989742 264104193 /nfs/dbraw/zinc/10/41/93/264104193.db2.gz RZRBUWWQCSCDQU-GMTAPVOTSA-N 1 2 295.343 0.810 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330989742 264104194 /nfs/dbraw/zinc/10/41/94/264104194.db2.gz RZRBUWWQCSCDQU-GMTAPVOTSA-N 1 2 295.343 0.810 20 30 CCEDLO CC(C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000331242780 264176960 /nfs/dbraw/zinc/17/69/60/264176960.db2.gz KOZPWKHGGJIJFT-UHFFFAOYSA-N 1 2 281.360 0.372 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000367241941 266162922 /nfs/dbraw/zinc/16/29/22/266162922.db2.gz UTBGWPRYGUPDQT-CQSZACIVSA-N 1 2 260.337 0.192 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000356834232 266183443 /nfs/dbraw/zinc/18/34/43/266183443.db2.gz KSCUXAMORIOMFP-DGCLKSJQSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000356834232 266183447 /nfs/dbraw/zinc/18/34/47/266183447.db2.gz KSCUXAMORIOMFP-DGCLKSJQSA-N 1 2 268.357 0.293 20 30 CCEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)NCC#N)CC2 ZINC000357033768 266236774 /nfs/dbraw/zinc/23/67/74/266236774.db2.gz IGXATQRQAJCZPL-UHFFFAOYSA-N 1 2 287.319 0.471 20 30 CCEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)NCC#N)CC2 ZINC000357033768 266236778 /nfs/dbraw/zinc/23/67/78/266236778.db2.gz IGXATQRQAJCZPL-UHFFFAOYSA-N 1 2 287.319 0.471 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357800319 266366423 /nfs/dbraw/zinc/36/64/23/266366423.db2.gz LZSKGKMFRDLFAQ-CYBMUJFWSA-N 1 2 290.367 0.712 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357800319 266366427 /nfs/dbraw/zinc/36/64/27/266366427.db2.gz LZSKGKMFRDLFAQ-CYBMUJFWSA-N 1 2 290.367 0.712 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595511 267016351 /nfs/dbraw/zinc/01/63/51/267016351.db2.gz DKLDLMYDBBVDQV-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595511 267016352 /nfs/dbraw/zinc/01/63/52/267016352.db2.gz DKLDLMYDBBVDQV-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368881229 267210520 /nfs/dbraw/zinc/21/05/20/267210520.db2.gz XRVKTZPQAUANEG-OCCSQVGLSA-N 1 2 290.371 0.579 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368881229 267210521 /nfs/dbraw/zinc/21/05/21/267210521.db2.gz XRVKTZPQAUANEG-OCCSQVGLSA-N 1 2 290.371 0.579 20 30 CCEDLO N#CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000370437680 267318855 /nfs/dbraw/zinc/31/88/55/267318855.db2.gz ZDUCXKMWXJKWRK-GFCCVEGCSA-N 1 2 269.370 0.224 20 30 CCEDLO N#Cc1cccc(NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000134069187 268269429 /nfs/dbraw/zinc/26/94/29/268269429.db2.gz FKBUJJNMSCRBBT-UHFFFAOYSA-N 1 2 288.351 0.419 20 30 CCEDLO CN(C)S(=O)(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352459483 289241512 /nfs/dbraw/zinc/24/15/12/289241512.db2.gz ZFYFRXDWWWKMLT-UHFFFAOYSA-N 1 2 263.338 0.205 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)o1 ZINC000329945716 302355459 /nfs/dbraw/zinc/35/54/59/302355459.db2.gz FYVXSLJTPUOEOC-ZJUUUORDSA-N 1 2 266.301 0.543 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)o1 ZINC000329945716 302355460 /nfs/dbraw/zinc/35/54/60/302355460.db2.gz FYVXSLJTPUOEOC-ZJUUUORDSA-N 1 2 266.301 0.543 20 30 CCEDLO C=CCCS(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184958237 327835288 /nfs/dbraw/zinc/83/52/88/327835288.db2.gz GLINVIMXVMLZTO-UHFFFAOYSA-N 1 2 296.396 0.813 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375123424 329000994 /nfs/dbraw/zinc/00/09/94/329000994.db2.gz HNGJDADHCXXXAM-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375123424 329000995 /nfs/dbraw/zinc/00/09/95/329000995.db2.gz HNGJDADHCXXXAM-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO N#CC1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000563497572 328070407 /nfs/dbraw/zinc/07/04/07/328070407.db2.gz ANEISMCIXGYIDG-JTQLQIEISA-N 1 2 259.313 0.801 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366590103 328237734 /nfs/dbraw/zinc/23/77/34/328237734.db2.gz LAHALISJEXCUFO-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366590103 328237735 /nfs/dbraw/zinc/23/77/35/328237735.db2.gz LAHALISJEXCUFO-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000048580916 328317344 /nfs/dbraw/zinc/31/73/44/328317344.db2.gz VICJBPDUJTUSLE-ZETCQYMHSA-N 1 2 270.314 0.621 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000048580916 328317345 /nfs/dbraw/zinc/31/73/45/328317345.db2.gz VICJBPDUJTUSLE-ZETCQYMHSA-N 1 2 270.314 0.621 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000049442085 328361473 /nfs/dbraw/zinc/36/14/73/328361473.db2.gz YYOIELJBXDQLIJ-LBPRGKRZSA-N 1 2 292.408 0.399 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305174427 328395792 /nfs/dbraw/zinc/39/57/92/328395792.db2.gz UYQVAXBYUFQXIX-JTQLQIEISA-N 1 2 279.262 0.261 20 30 CCEDLO COc1cnc(NC(=O)N2CC[NH+](CCO)CC2)s1 ZINC000330494819 328462141 /nfs/dbraw/zinc/46/21/41/328462141.db2.gz VRBPHLURWOSTTG-UHFFFAOYSA-N 1 2 286.357 0.307 20 30 CCEDLO CNS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000564843538 327006544 /nfs/dbraw/zinc/00/65/44/327006544.db2.gz AEPREEXBTIZLGQ-UHFFFAOYSA-N 1 2 253.327 0.598 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557661877 327020073 /nfs/dbraw/zinc/02/00/73/327020073.db2.gz SVQCZONAKXNPCA-SNVBAGLBSA-N 1 2 285.307 0.891 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000584116802 327042446 /nfs/dbraw/zinc/04/24/46/327042446.db2.gz LDBMHBZQFINPRF-NSHDSACASA-N 1 2 266.257 0.761 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569501456 327186466 /nfs/dbraw/zinc/18/64/66/327186466.db2.gz BYVOUYXVBLAPNU-UHFFFAOYSA-N 1 2 280.328 0.029 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569501456 327186467 /nfs/dbraw/zinc/18/64/67/327186467.db2.gz BYVOUYXVBLAPNU-UHFFFAOYSA-N 1 2 280.328 0.029 20 30 CCEDLO N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000561010332 327357755 /nfs/dbraw/zinc/35/77/55/327357755.db2.gz JTOUQGQPYARPKD-NSHDSACASA-N 1 2 299.290 0.024 20 30 CCEDLO N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000561010331 327357781 /nfs/dbraw/zinc/35/77/81/327357781.db2.gz JTOUQGQPYARPKD-LLVKDONJSA-N 1 2 299.290 0.024 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125811473 327395868 /nfs/dbraw/zinc/39/58/68/327395868.db2.gz DUCHVYVFBCABSN-LLVKDONJSA-N 1 2 275.356 0.776 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125811473 327395869 /nfs/dbraw/zinc/39/58/69/327395869.db2.gz DUCHVYVFBCABSN-LLVKDONJSA-N 1 2 275.356 0.776 20 30 CCEDLO CC(C)[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nncn1C ZINC000566871096 327485210 /nfs/dbraw/zinc/48/52/10/327485210.db2.gz AGYGWUMZBSNDGN-LBPRGKRZSA-N 1 2 290.371 0.664 20 30 CCEDLO Cc1cc(COCC(=O)N[C@](C)(C#N)C[NH+](C)C)on1 ZINC000582185141 328619332 /nfs/dbraw/zinc/61/93/32/328619332.db2.gz ZOWOUSUEFSTGDT-CYBMUJFWSA-N 1 2 280.328 0.460 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000378354816 329047596 /nfs/dbraw/zinc/04/75/96/329047596.db2.gz IIUUEUXQIHOAPG-LBPRGKRZSA-N 1 2 291.355 0.186 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000378354816 329047597 /nfs/dbraw/zinc/04/75/97/329047597.db2.gz IIUUEUXQIHOAPG-LBPRGKRZSA-N 1 2 291.355 0.186 20 30 CCEDLO C=CC[N@@H+](CCOCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000175660603 329167619 /nfs/dbraw/zinc/16/76/19/329167619.db2.gz FNVGLFQMAHXIJX-LBPRGKRZSA-N 1 2 277.386 0.325 20 30 CCEDLO C=CC[N@H+](CCOCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000175660603 329167620 /nfs/dbraw/zinc/16/76/20/329167620.db2.gz FNVGLFQMAHXIJX-LBPRGKRZSA-N 1 2 277.386 0.325 20 30 CCEDLO Cn1ccnc1CN1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000583140162 329320788 /nfs/dbraw/zinc/32/07/88/329320788.db2.gz QCFXETUJINWLPE-LLVKDONJSA-N 1 2 261.329 0.414 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000548085156 329721933 /nfs/dbraw/zinc/72/19/33/329721933.db2.gz SGYCSXMKLHAGME-ZJUUUORDSA-N 1 2 260.297 0.581 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071373 330326852 /nfs/dbraw/zinc/32/68/52/330326852.db2.gz ZCTIQBIWRWWOHR-UHFFFAOYSA-N 1 2 289.335 0.762 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071373 330326853 /nfs/dbraw/zinc/32/68/53/330326853.db2.gz ZCTIQBIWRWWOHR-UHFFFAOYSA-N 1 2 289.335 0.762 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430259210 330565463 /nfs/dbraw/zinc/56/54/63/330565463.db2.gz QFGQTWOOCFCWIF-VXGBXAGGSA-N 1 2 278.356 0.682 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000435422806 330654631 /nfs/dbraw/zinc/65/46/31/330654631.db2.gz NJXVQRUKCNFQLP-UHFFFAOYSA-N 1 2 267.310 0.746 20 30 CCEDLO NC(=O)[C@]1([NH2+]CC#Cc2cccc(Cl)c2)CCOC1 ZINC000575068759 330882213 /nfs/dbraw/zinc/88/22/13/330882213.db2.gz AFERAZSRTBTYGQ-AWEZNQCLSA-N 1 2 278.739 0.926 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)C[C@@H]1C ZINC000451490187 331031382 /nfs/dbraw/zinc/03/13/82/331031382.db2.gz DCUUNOVDDVTSGT-SCRDCRAPSA-N 1 2 265.357 0.715 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000454487549 331147280 /nfs/dbraw/zinc/14/72/80/331147280.db2.gz PBFSGTNMZMAYLQ-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000454487549 331147281 /nfs/dbraw/zinc/14/72/81/331147281.db2.gz PBFSGTNMZMAYLQ-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000458312599 331248158 /nfs/dbraw/zinc/24/81/58/331248158.db2.gz NHWOAPMHOOWPCV-STQMWFEESA-N 1 2 267.373 0.760 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000459908433 331303293 /nfs/dbraw/zinc/30/32/93/331303293.db2.gz ORCIVFHUNJQEKV-ZDUSSCGKSA-N 1 2 289.335 0.706 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cc(Br)cn2)CC1 ZINC000490594236 332094017 /nfs/dbraw/zinc/09/40/17/332094017.db2.gz NSPZPICPIIMUNE-UHFFFAOYSA-N 1 2 283.173 0.854 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)CC1 ZINC000490779670 332114950 /nfs/dbraw/zinc/11/49/50/332114950.db2.gz YTXFUQNSGUMMNN-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@H](CC)C2)CC1 ZINC000490779670 332114951 /nfs/dbraw/zinc/11/49/51/332114951.db2.gz YTXFUQNSGUMMNN-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN(CC)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000490935883 332130860 /nfs/dbraw/zinc/13/08/60/332130860.db2.gz OUWNKVONKIGMQX-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H]2CCCOC2)CC1 ZINC000490936264 332130891 /nfs/dbraw/zinc/13/08/91/332130891.db2.gz QATIYTQYRHIBLU-CYBMUJFWSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2F)CC1 ZINC000490951150 332132770 /nfs/dbraw/zinc/13/27/70/332132770.db2.gz WJGMFXWHDITASS-UHFFFAOYSA-N 1 2 277.299 0.377 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H]2CCOC2)n1 ZINC000491126353 332154045 /nfs/dbraw/zinc/15/40/45/332154045.db2.gz NGQLIMRGXJTBKR-CQSZACIVSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H]2CCOC2)n1 ZINC000491126353 332154046 /nfs/dbraw/zinc/15/40/46/332154046.db2.gz NGQLIMRGXJTBKR-CQSZACIVSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000491166603 332160016 /nfs/dbraw/zinc/16/00/16/332160016.db2.gz SRBMRHTYOYDHKA-AWEZNQCLSA-N 1 2 296.367 0.074 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(C)(C)C ZINC000491339132 332192887 /nfs/dbraw/zinc/19/28/87/332192887.db2.gz NUYGKHXBCJDWOD-STQMWFEESA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(C)(C)C ZINC000491339132 332192886 /nfs/dbraw/zinc/19/28/86/332192886.db2.gz NUYGKHXBCJDWOD-STQMWFEESA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)(C)C ZINC000491339129 332192973 /nfs/dbraw/zinc/19/29/73/332192973.db2.gz NUYGKHXBCJDWOD-CHWSQXEVSA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)(C)C ZINC000491339129 332192975 /nfs/dbraw/zinc/19/29/75/332192975.db2.gz NUYGKHXBCJDWOD-CHWSQXEVSA-N 1 2 280.416 0.579 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000491624175 332248504 /nfs/dbraw/zinc/24/85/04/332248504.db2.gz JOXNWAVPTSDHGN-NEPJUHHUSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000491624175 332248505 /nfs/dbraw/zinc/24/85/05/332248505.db2.gz JOXNWAVPTSDHGN-NEPJUHHUSA-N 1 2 252.358 0.871 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491640406 332260360 /nfs/dbraw/zinc/26/03/60/332260360.db2.gz OLCSGZQJNVKJAZ-QWRGUYRKSA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491640406 332260361 /nfs/dbraw/zinc/26/03/61/332260361.db2.gz OLCSGZQJNVKJAZ-QWRGUYRKSA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000491644170 332262439 /nfs/dbraw/zinc/26/24/39/332262439.db2.gz IYIQOGARHSZVJY-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000491644170 332262440 /nfs/dbraw/zinc/26/24/40/332262440.db2.gz IYIQOGARHSZVJY-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000491665197 332273873 /nfs/dbraw/zinc/27/38/73/332273873.db2.gz UHQWSUZUWKKCBU-TZMCWYRMSA-N 1 2 296.367 0.074 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2CF)CC1 ZINC000491665580 332274172 /nfs/dbraw/zinc/27/41/72/332274172.db2.gz VMDZWUXMWOQYRO-CYBMUJFWSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CF)CC1 ZINC000491665580 332274173 /nfs/dbraw/zinc/27/41/73/332274173.db2.gz VMDZWUXMWOQYRO-CYBMUJFWSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CC[N@@H+](CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491817447 332367976 /nfs/dbraw/zinc/36/79/76/332367976.db2.gz OMXBTIZVECFMGR-CYBMUJFWSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491817447 332367977 /nfs/dbraw/zinc/36/79/77/332367977.db2.gz OMXBTIZVECFMGR-CYBMUJFWSA-N 1 2 285.409 0.925 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)COC ZINC000492408280 332396006 /nfs/dbraw/zinc/39/60/06/332396006.db2.gz MVGJADCANPGZSW-CFHLNLSMSA-N 1 2 262.313 0.961 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000494817111 332486660 /nfs/dbraw/zinc/48/66/60/332486660.db2.gz YAUVPPBKDDUJIV-SUNKGSAMSA-N 1 2 292.387 0.909 20 30 CCEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC000517129381 333093082 /nfs/dbraw/zinc/09/30/82/333093082.db2.gz KXMQNWGSNXKLQC-JTQLQIEISA-N 1 2 285.779 0.369 20 30 CCEDLO Cn1cc(Cl)c(CNC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000517129381 333093084 /nfs/dbraw/zinc/09/30/84/333093084.db2.gz KXMQNWGSNXKLQC-JTQLQIEISA-N 1 2 285.779 0.369 20 30 CCEDLO Cn1cc(Cl)c(CNC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000517129381 333093085 /nfs/dbraw/zinc/09/30/85/333093085.db2.gz KXMQNWGSNXKLQC-JTQLQIEISA-N 1 2 285.779 0.369 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000183279863 333120006 /nfs/dbraw/zinc/12/00/06/333120006.db2.gz ZEPAEFKYLYQISR-UHFFFAOYSA-N 1 2 263.301 0.308 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(CCC)nc3ncnn32)CC1 ZINC000193516922 333251957 /nfs/dbraw/zinc/25/19/57/333251957.db2.gz HIPMKLWPTOAYHW-UHFFFAOYSA-N 1 2 284.367 0.832 20 30 CCEDLO N#CC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000575936764 335133839 /nfs/dbraw/zinc/13/38/39/335133839.db2.gz FJBUUQLEQICWRM-UHFFFAOYSA-N 1 2 278.356 0.454 20 30 CCEDLO CC#CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000135465634 334130851 /nfs/dbraw/zinc/13/08/51/334130851.db2.gz JSBWYEHTRDHDAR-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554566147 334439160 /nfs/dbraw/zinc/43/91/60/334439160.db2.gz YHHWONWOPKVZLV-UHFFFAOYSA-N 1 2 283.335 0.579 20 30 CCEDLO N#Cc1ccc(NCC(=O)Nc2c[nH+]c3n2CCCC3)nc1 ZINC000577469360 335355705 /nfs/dbraw/zinc/35/57/05/335355705.db2.gz GUZWDTZBULHGRU-UHFFFAOYSA-N 1 2 296.334 0.959 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC000580722972 335960076 /nfs/dbraw/zinc/96/00/76/335960076.db2.gz LNPROKKRNXLALK-UWVGGRQHSA-N 1 2 270.333 0.129 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnn(C)c1 ZINC000581046383 336000348 /nfs/dbraw/zinc/00/03/48/336000348.db2.gz ZDLASDBGOOZHIY-NSHDSACASA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000581046383 336000349 /nfs/dbraw/zinc/00/03/49/336000349.db2.gz ZDLASDBGOOZHIY-NSHDSACASA-N 1 2 275.356 0.803 20 30 CCEDLO Cc1ccc(C[N@H+](CCO)CC(=O)NC2(C#N)CCC2)o1 ZINC000347067792 533897808 /nfs/dbraw/zinc/89/78/08/533897808.db2.gz BINIMXIITDOHRE-UHFFFAOYSA-N 1 2 291.351 0.945 20 30 CCEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)NC2(C#N)CCC2)o1 ZINC000347067792 533897819 /nfs/dbraw/zinc/89/78/19/533897819.db2.gz BINIMXIITDOHRE-UHFFFAOYSA-N 1 2 291.351 0.945 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2cnc(C#N)cn2)CCO1 ZINC000362679030 536151400 /nfs/dbraw/zinc/15/14/00/536151400.db2.gz CSHVGMJNFOFLGR-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2cnc(C#N)cn2)CCO1 ZINC000362679030 536151403 /nfs/dbraw/zinc/15/14/03/536151403.db2.gz CSHVGMJNFOFLGR-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000331580423 534674809 /nfs/dbraw/zinc/67/48/09/534674809.db2.gz STQMRXGSTOBXNM-UHFFFAOYSA-N 1 2 297.362 0.710 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000331580423 534674816 /nfs/dbraw/zinc/67/48/16/534674816.db2.gz STQMRXGSTOBXNM-UHFFFAOYSA-N 1 2 297.362 0.710 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000156950103 523527370 /nfs/dbraw/zinc/52/73/70/523527370.db2.gz BGCOZRPOXALIQU-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000156950103 523527381 /nfs/dbraw/zinc/52/73/81/523527381.db2.gz BGCOZRPOXALIQU-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335979082 526480577 /nfs/dbraw/zinc/48/05/77/526480577.db2.gz IZDKZHKKQJHJLW-NWDGAFQWSA-N 1 2 263.341 0.080 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335979082 526480585 /nfs/dbraw/zinc/48/05/85/526480585.db2.gz IZDKZHKKQJHJLW-NWDGAFQWSA-N 1 2 263.341 0.080 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000666024351 545111394 /nfs/dbraw/zinc/11/13/94/545111394.db2.gz UOEKXAVIRGBNOK-OAHLLOKOSA-N 1 2 291.351 0.471 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)C[C@@H]2C)C1=O ZINC000352698124 526509243 /nfs/dbraw/zinc/50/92/43/526509243.db2.gz LWRSUZISHVSAJR-STQMWFEESA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)C[C@@H]2C)C1=O ZINC000352698124 526509249 /nfs/dbraw/zinc/50/92/49/526509249.db2.gz LWRSUZISHVSAJR-STQMWFEESA-N 1 2 251.374 0.799 20 30 CCEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NC)Cc1ccc(CO)o1 ZINC000352792135 526510681 /nfs/dbraw/zinc/51/06/81/526510681.db2.gz KSFKXSNTVRHCNG-UHFFFAOYSA-N 1 2 295.339 0.606 20 30 CCEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NC)Cc1ccc(CO)o1 ZINC000352792135 526510685 /nfs/dbraw/zinc/51/06/85/526510685.db2.gz KSFKXSNTVRHCNG-UHFFFAOYSA-N 1 2 295.339 0.606 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000667814952 545156619 /nfs/dbraw/zinc/15/66/19/545156619.db2.gz FSZLZKVWBDJQBA-JSGCOSHPSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000667814952 545156620 /nfs/dbraw/zinc/15/66/20/545156620.db2.gz FSZLZKVWBDJQBA-JSGCOSHPSA-N 1 2 297.399 0.294 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000330238412 527500064 /nfs/dbraw/zinc/50/00/64/527500064.db2.gz VDKCJYWMJJNJQT-UHFFFAOYSA-N 1 2 298.387 0.868 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000668319355 545173011 /nfs/dbraw/zinc/17/30/11/545173011.db2.gz GLNJUZPMHKBLCZ-MDZLAQPJSA-N 1 2 256.346 0.149 20 30 CCEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1COC1 ZINC000451283066 527910023 /nfs/dbraw/zinc/91/00/23/527910023.db2.gz GFQCYKRESMTZJZ-UHFFFAOYSA-N 1 2 273.336 0.895 20 30 CCEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1COC1 ZINC000451283066 527910026 /nfs/dbraw/zinc/91/00/26/527910026.db2.gz GFQCYKRESMTZJZ-UHFFFAOYSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352699658 527924957 /nfs/dbraw/zinc/92/49/57/527924957.db2.gz RWZGPALJZRQWPX-FZMZJTMJSA-N 1 2 280.372 0.203 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352699658 527924963 /nfs/dbraw/zinc/92/49/63/527924963.db2.gz RWZGPALJZRQWPX-FZMZJTMJSA-N 1 2 280.372 0.203 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cn1cnc(C#N)n1 ZINC000426862898 528728411 /nfs/dbraw/zinc/72/84/11/528728411.db2.gz BZMJYVZFSJNZPR-UHFFFAOYSA-N 1 2 287.327 0.319 20 30 CCEDLO CC[NH+]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000330008734 529108080 /nfs/dbraw/zinc/10/80/80/529108080.db2.gz FQSXPJOQSBEKCN-QGHHPUGFSA-N 1 2 259.375 0.059 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000263769160 535452251 /nfs/dbraw/zinc/45/22/51/535452251.db2.gz JSAMKEIGTKAALQ-HNNXBMFYSA-N 1 2 286.379 0.940 20 30 CCEDLO CC[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263769160 535452255 /nfs/dbraw/zinc/45/22/55/535452255.db2.gz JSAMKEIGTKAALQ-HNNXBMFYSA-N 1 2 286.379 0.940 20 30 CCEDLO COCC#CCN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000677132742 545358154 /nfs/dbraw/zinc/35/81/54/545358154.db2.gz PMIIKRFXMJYORN-UHFFFAOYSA-N 1 2 263.341 0.750 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000677132742 545358155 /nfs/dbraw/zinc/35/81/55/545358155.db2.gz PMIIKRFXMJYORN-UHFFFAOYSA-N 1 2 263.341 0.750 20 30 CCEDLO CC[N@H+](CC#CCOC)[C@H](C)CS(=O)(=O)CC ZINC000677481039 545366383 /nfs/dbraw/zinc/36/63/83/545366383.db2.gz ZWHMAMRZVJVKQN-GFCCVEGCSA-N 1 2 261.387 0.781 20 30 CCEDLO CC[N@@H+](CC#CCOC)[C@H](C)CS(=O)(=O)CC ZINC000677481039 545366384 /nfs/dbraw/zinc/36/63/84/545366384.db2.gz ZWHMAMRZVJVKQN-GFCCVEGCSA-N 1 2 261.387 0.781 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000515495965 536311043 /nfs/dbraw/zinc/31/10/43/536311043.db2.gz KOJBOYXPNZBRRH-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000515495965 536311049 /nfs/dbraw/zinc/31/10/49/536311049.db2.gz KOJBOYXPNZBRRH-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000679124315 545402388 /nfs/dbraw/zinc/40/23/88/545402388.db2.gz XBVJOKVICPQQIJ-ZIAGYGMSSA-N 1 2 284.425 0.593 20 30 CCEDLO C=CCOCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000679629423 545412566 /nfs/dbraw/zinc/41/25/66/545412566.db2.gz XCSZRBKRMVVYNK-UHFFFAOYSA-N 1 2 252.318 0.764 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nccnc2C)CC1 ZINC000685041101 545790562 /nfs/dbraw/zinc/79/05/62/545790562.db2.gz XYILGQUYHDCQCZ-UHFFFAOYSA-N 1 2 260.341 0.557 20 30 CCEDLO N#CCc1ccccc1CC(=O)NCC[NH+]1CCOCC1 ZINC000777271039 581112053 /nfs/dbraw/zinc/11/20/53/581112053.db2.gz SRTVZUKYXGKVPA-UHFFFAOYSA-N 1 2 287.363 0.744 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000777638792 581126693 /nfs/dbraw/zinc/12/66/93/581126693.db2.gz YFHYZQOIJHQFCE-AGIUHOORSA-N 1 2 288.351 0.678 20 30 CCEDLO N#Cc1cnn(C(=O)c2ccc(-n3cc[nH+]c3)nn2)c1N ZINC000725890977 581173814 /nfs/dbraw/zinc/17/38/14/581173814.db2.gz LNCVTWWZPAKLAF-UHFFFAOYSA-N 1 2 280.251 0.001 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000790193303 581179723 /nfs/dbraw/zinc/17/97/23/581179723.db2.gz BVHYKBQMWBFVJY-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000790193303 581179726 /nfs/dbraw/zinc/17/97/26/581179726.db2.gz BVHYKBQMWBFVJY-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO C#CCNC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000790323827 581183970 /nfs/dbraw/zinc/18/39/70/581183970.db2.gz DVPOLAFRGPPPHT-UHFFFAOYSA-N 1 2 250.327 0.463 20 30 CCEDLO CC1(C#N)CCN(C(=S)NCC[NH+]2CCOCC2)CC1 ZINC000779724205 581199901 /nfs/dbraw/zinc/19/99/01/581199901.db2.gz JQZMJHVOEWWXBM-UHFFFAOYSA-N 1 2 296.440 0.819 20 30 CCEDLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779879366 581212119 /nfs/dbraw/zinc/21/21/19/581212119.db2.gz LULRAVZOXKKPAM-CQSZACIVSA-N 1 2 294.355 0.526 20 30 CCEDLO C[NH+](C)[C@H](C(=O)OCC(=O)NCCC#N)c1ccccc1 ZINC000780087069 581219135 /nfs/dbraw/zinc/21/91/35/581219135.db2.gz BHWNAZHIMDMJCX-AWEZNQCLSA-N 1 2 289.335 0.862 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091091 581219664 /nfs/dbraw/zinc/21/96/64/581219664.db2.gz FRQSGFIZTITHFO-OCCSQVGLSA-N 1 2 288.347 0.970 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000780946726 581251524 /nfs/dbraw/zinc/25/15/24/581251524.db2.gz FWJSJKLQMYDVAE-LBPRGKRZSA-N 1 2 256.265 0.631 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000780946726 581251526 /nfs/dbraw/zinc/25/15/26/581251526.db2.gz FWJSJKLQMYDVAE-LBPRGKRZSA-N 1 2 256.265 0.631 20 30 CCEDLO CS(=O)(=O)c1cccc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781594655 581272726 /nfs/dbraw/zinc/27/27/26/581272726.db2.gz DXRYSIMEGRUBLU-UHFFFAOYSA-N 1 2 291.336 0.908 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000783618259 581352974 /nfs/dbraw/zinc/35/29/74/581352974.db2.gz ONPSAPWSPIMABL-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000783618259 581352975 /nfs/dbraw/zinc/35/29/75/581352975.db2.gz ONPSAPWSPIMABL-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO N#CCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000783757698 581359690 /nfs/dbraw/zinc/35/96/90/581359690.db2.gz RHAPPCJZCOLZTL-UHFFFAOYSA-N 1 2 256.375 0.086 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000783934931 581368016 /nfs/dbraw/zinc/36/80/16/581368016.db2.gz GKBDSTSMMFUXPF-SNVBAGLBSA-N 1 2 289.339 0.813 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784407969 581383570 /nfs/dbraw/zinc/38/35/70/581383570.db2.gz NCMPABZAUPNLCH-UHFFFAOYSA-N 1 2 291.330 0.373 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784407969 581383571 /nfs/dbraw/zinc/38/35/71/581383571.db2.gz NCMPABZAUPNLCH-UHFFFAOYSA-N 1 2 291.330 0.373 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1oncc1C(=O)OC)[C@H]1CCCO1 ZINC000796013506 581429899 /nfs/dbraw/zinc/42/98/99/581429899.db2.gz ZTGRPCPTVAAPIP-GHMZBOCLSA-N 1 2 264.281 0.732 20 30 CCEDLO CC[N@H+](CC(=O)NCCC#N)CC(=O)N1CCCCCC1 ZINC000796600069 581445872 /nfs/dbraw/zinc/44/58/72/581445872.db2.gz CYAHLMKVLHVNQO-UHFFFAOYSA-N 1 2 294.399 0.741 20 30 CCEDLO CC[N@@H+](CC(=O)NCCC#N)CC(=O)N1CCCCCC1 ZINC000796600069 581445874 /nfs/dbraw/zinc/44/58/74/581445874.db2.gz CYAHLMKVLHVNQO-UHFFFAOYSA-N 1 2 294.399 0.741 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)cn1 ZINC000765240935 581507091 /nfs/dbraw/zinc/50/70/91/581507091.db2.gz GTUVVTJUULYEIG-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)cn1 ZINC000765240935 581507092 /nfs/dbraw/zinc/50/70/92/581507092.db2.gz GTUVVTJUULYEIG-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#CCOCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000753225131 581532475 /nfs/dbraw/zinc/53/24/75/581532475.db2.gz DCAYCWPLLJDJDJ-UHFFFAOYSA-N 1 2 270.292 0.647 20 30 CCEDLO C#CCOCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000753233373 581532870 /nfs/dbraw/zinc/53/28/70/581532870.db2.gz XODSODDYEGXBHN-UHFFFAOYSA-N 1 2 266.341 0.007 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000753384619 581538653 /nfs/dbraw/zinc/53/86/53/581538653.db2.gz YIQBRKMOXZGWCR-AWEZNQCLSA-N 1 2 295.383 0.142 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766246873 581558846 /nfs/dbraw/zinc/55/88/46/581558846.db2.gz FXQYNHOZFHRBTF-OAHLLOKOSA-N 1 2 274.364 0.582 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766246873 581558850 /nfs/dbraw/zinc/55/88/50/581558850.db2.gz FXQYNHOZFHRBTF-OAHLLOKOSA-N 1 2 274.364 0.582 20 30 CCEDLO C#CC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000754012836 581570363 /nfs/dbraw/zinc/57/03/63/581570363.db2.gz HQKKLMOFJFMUHH-UHFFFAOYSA-N 1 2 295.383 0.631 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nn[nH]n2)CC1 ZINC000735380639 581641810 /nfs/dbraw/zinc/64/18/10/581641810.db2.gz IMKHKEATLRETFV-LBPRGKRZSA-N 1 2 288.355 0.003 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nn[nH]n2)CC1 ZINC000735380639 581641812 /nfs/dbraw/zinc/64/18/12/581641812.db2.gz IMKHKEATLRETFV-LBPRGKRZSA-N 1 2 288.355 0.003 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000756994891 581689219 /nfs/dbraw/zinc/68/92/19/581689219.db2.gz FKOMTQDTIMTSSN-GFCCVEGCSA-N 1 2 272.352 0.292 20 30 CCEDLO C#CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000753901638 581710086 /nfs/dbraw/zinc/71/00/86/581710086.db2.gz JUQYYWOFUSPYFL-CQSZACIVSA-N 1 2 258.321 0.809 20 30 CCEDLO C#CCNC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000758173183 581724482 /nfs/dbraw/zinc/72/44/82/581724482.db2.gz SGVHSHXFLYCHKW-UHFFFAOYSA-N 1 2 260.366 0.711 20 30 CCEDLO Cc1ccn(C[NH+]2CCC(C(N)=O)CC2)c(=O)c1C#N ZINC000758182153 581724947 /nfs/dbraw/zinc/72/49/47/581724947.db2.gz RBSVCEXFDICCBP-UHFFFAOYSA-N 1 2 274.324 0.183 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1=O ZINC000758221643 581728358 /nfs/dbraw/zinc/72/83/58/581728358.db2.gz GLSAMUWNUZZOTD-CYBMUJFWSA-N 1 2 289.335 0.762 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1=O ZINC000758221643 581728361 /nfs/dbraw/zinc/72/83/61/581728361.db2.gz GLSAMUWNUZZOTD-CYBMUJFWSA-N 1 2 289.335 0.762 20 30 CCEDLO Cc1ccn(C[N@H+](C)CCn2cccn2)c(=O)c1C#N ZINC000758224063 581728986 /nfs/dbraw/zinc/72/89/86/581728986.db2.gz IUNILXYZTZDZJT-UHFFFAOYSA-N 1 2 271.324 0.814 20 30 CCEDLO Cc1ccn(C[N@@H+](C)CCn2cccn2)c(=O)c1C#N ZINC000758224063 581728990 /nfs/dbraw/zinc/72/89/90/581728990.db2.gz IUNILXYZTZDZJT-UHFFFAOYSA-N 1 2 271.324 0.814 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1C ZINC000758237791 581730397 /nfs/dbraw/zinc/73/03/97/581730397.db2.gz QELKMTUAVDJLRE-ZYHUDNBSSA-N 1 2 275.308 0.418 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1C ZINC000758237791 581730401 /nfs/dbraw/zinc/73/04/01/581730401.db2.gz QELKMTUAVDJLRE-ZYHUDNBSSA-N 1 2 275.308 0.418 20 30 CCEDLO Cc1cn2c([nH+]1)CN(Cn1cccc(C#N)c1=O)CC2 ZINC000758250665 581732429 /nfs/dbraw/zinc/73/24/29/581732429.db2.gz USIPIJRPAGNJAU-UHFFFAOYSA-N 1 2 269.308 0.698 20 30 CCEDLO C[C@H]1C[C@@H]1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758363051 581741302 /nfs/dbraw/zinc/74/13/02/581741302.db2.gz VFDMMENMNCXKRE-WDEREUQCSA-N 1 2 270.402 0.425 20 30 CCEDLO O=C1N=NCN1N=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000770615210 581756354 /nfs/dbraw/zinc/75/63/54/581756354.db2.gz JMGXNUAYVQDVNY-UHFFFAOYSA-N 1 2 294.278 0.699 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(CCOC)n1 ZINC000732065327 581799593 /nfs/dbraw/zinc/79/95/93/581799593.db2.gz AKEIHUOEZBPKSH-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CCOC)n1 ZINC000732065327 581799597 /nfs/dbraw/zinc/79/95/97/581799597.db2.gz AKEIHUOEZBPKSH-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000759814092 581824696 /nfs/dbraw/zinc/82/46/96/581824696.db2.gz HCPLKQXHSQJKPT-JTQLQIEISA-N 1 2 277.324 0.830 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(OC)nc(COC)n2)CC1 ZINC000772007445 581837860 /nfs/dbraw/zinc/83/78/60/581837860.db2.gz ZWDJHRHLQIEPGQ-UHFFFAOYSA-N 1 2 276.340 0.387 20 30 CCEDLO C#CCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000760280888 581852592 /nfs/dbraw/zinc/85/25/92/581852592.db2.gz YLIQWOHBEVURIV-UHFFFAOYSA-N 1 2 274.368 0.868 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000760330690 581855409 /nfs/dbraw/zinc/85/54/09/581855409.db2.gz CLMKITGUFYSQPM-ZIAGYGMSSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000760440974 581859958 /nfs/dbraw/zinc/85/99/58/581859958.db2.gz PULUYOVLRFPJCQ-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078905 581863783 /nfs/dbraw/zinc/86/37/83/581863783.db2.gz HZLADCRFGJJYGG-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078905 581863788 /nfs/dbraw/zinc/86/37/88/581863788.db2.gz HZLADCRFGJJYGG-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO CN(C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C#N ZINC000745079445 581864120 /nfs/dbraw/zinc/86/41/20/581864120.db2.gz KYRZJVYXUNDBSD-NSHDSACASA-N 1 2 281.356 0.774 20 30 CCEDLO CN(C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C#N ZINC000745079445 581864123 /nfs/dbraw/zinc/86/41/23/581864123.db2.gz KYRZJVYXUNDBSD-NSHDSACASA-N 1 2 281.356 0.774 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000760953312 581881033 /nfs/dbraw/zinc/88/10/33/581881033.db2.gz OXKFDEGVDAZGLS-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000760953312 581881035 /nfs/dbraw/zinc/88/10/35/581881035.db2.gz OXKFDEGVDAZGLS-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000773954856 581949391 /nfs/dbraw/zinc/94/93/91/581949391.db2.gz OHSVBQJZXATETB-LLVKDONJSA-N 1 2 297.318 0.686 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[NH+]2CCOCC2)nc1 ZINC000747699781 581950246 /nfs/dbraw/zinc/95/02/46/581950246.db2.gz GRGVMTWMSMDUDO-UHFFFAOYSA-N 1 2 261.281 0.442 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000747831739 581954339 /nfs/dbraw/zinc/95/43/39/581954339.db2.gz GLAVNWBTHKZWQD-UHFFFAOYSA-N 1 2 267.235 0.561 20 30 CCEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@@H](C)OC ZINC000747867604 581955475 /nfs/dbraw/zinc/95/54/75/581955475.db2.gz LEBFWZNFZKOPJD-SNVBAGLBSA-N 1 2 255.318 0.720 20 30 CCEDLO C=CC[N@H+](CCC1OCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748049922 581960492 /nfs/dbraw/zinc/96/04/92/581960492.db2.gz XKMZONWWIYUBAI-GFCCVEGCSA-N 1 2 289.397 0.815 20 30 CCEDLO C=CC[N@@H+](CCC1OCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748049922 581960495 /nfs/dbraw/zinc/96/04/95/581960495.db2.gz XKMZONWWIYUBAI-GFCCVEGCSA-N 1 2 289.397 0.815 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccsc2)CC1 ZINC000748809893 581988351 /nfs/dbraw/zinc/98/83/51/581988351.db2.gz MROMSQJEOCEGKX-UHFFFAOYSA-N 1 2 291.420 0.957 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccsc2)CC1 ZINC000748809893 581988353 /nfs/dbraw/zinc/98/83/53/581988353.db2.gz MROMSQJEOCEGKX-UHFFFAOYSA-N 1 2 291.420 0.957 20 30 CCEDLO C=CC[N@H+](CCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000749299672 582001894 /nfs/dbraw/zinc/00/18/94/582001894.db2.gz WVHDQQXVMQMXPV-NSHDSACASA-N 1 2 288.369 0.114 20 30 CCEDLO C=CC[N@@H+](CCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000749299672 582001896 /nfs/dbraw/zinc/00/18/96/582001896.db2.gz WVHDQQXVMQMXPV-NSHDSACASA-N 1 2 288.369 0.114 20 30 CCEDLO C#CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC000763949317 582022324 /nfs/dbraw/zinc/02/23/24/582022324.db2.gz KFWPRQQXIQGNRY-UHFFFAOYSA-N 1 2 257.297 0.667 20 30 CCEDLO C#CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC000763949317 582022326 /nfs/dbraw/zinc/02/23/26/582022326.db2.gz KFWPRQQXIQGNRY-UHFFFAOYSA-N 1 2 257.297 0.667 20 30 CCEDLO CCOc1ccc(O)c(/C=[NH+]/Cc2nnn(C)n2)c1 ZINC000775739543 582035726 /nfs/dbraw/zinc/03/57/26/582035726.db2.gz GKBOFQLLXNNIJE-NTUHNPAUSA-N 1 2 261.285 0.934 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1csc(CC(=O)NC)n1)[C@H]1CCCO1 ZINC000775786673 582038242 /nfs/dbraw/zinc/03/82/42/582038242.db2.gz ZPZGYVUNKCJWGQ-VXGBXAGGSA-N 1 2 293.392 0.702 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000775804488 582040376 /nfs/dbraw/zinc/04/03/76/582040376.db2.gz AAZRUEIZKMFUBN-SOUVJXGZSA-N 1 2 283.331 0.855 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)ccn1 ZINC000764436144 582046682 /nfs/dbraw/zinc/04/66/82/582046682.db2.gz GRKNSVUWCPTUMY-CYBMUJFWSA-N 1 2 272.308 0.980 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)ccn1 ZINC000764436144 582046683 /nfs/dbraw/zinc/04/66/83/582046683.db2.gz GRKNSVUWCPTUMY-CYBMUJFWSA-N 1 2 272.308 0.980 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000776020131 582049546 /nfs/dbraw/zinc/04/95/46/582049546.db2.gz SZPPFQUZHRUZTQ-GFCCVEGCSA-N 1 2 276.340 0.983 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000750779681 582058792 /nfs/dbraw/zinc/05/87/92/582058792.db2.gz YQXMIVIBHQZWGK-UHFFFAOYSA-N 1 2 272.352 0.610 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000877480254 613114417 /nfs/dbraw/zinc/11/44/17/613114417.db2.gz PBNUFBVGKXUDPR-QMMMGPOBSA-N 1 2 258.368 0.849 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000877480254 613114418 /nfs/dbraw/zinc/11/44/18/613114418.db2.gz PBNUFBVGKXUDPR-QMMMGPOBSA-N 1 2 258.368 0.849 20 30 CCEDLO CCC[N@H+](C[C@H](O)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000929271234 614585639 /nfs/dbraw/zinc/58/56/39/614585639.db2.gz RAFSNDBWDZPFNO-WDEREUQCSA-N 1 2 260.359 0.160 20 30 CCEDLO CCC[N@@H+](C[C@H](O)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000929271234 614585641 /nfs/dbraw/zinc/58/56/41/614585641.db2.gz RAFSNDBWDZPFNO-WDEREUQCSA-N 1 2 260.359 0.160 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+](CCC#C)CC1 ZINC000804969300 612983629 /nfs/dbraw/zinc/98/36/29/612983629.db2.gz BGSBQDKOZDCSGD-UHFFFAOYSA-N 1 2 268.382 0.371 20 30 CCEDLO C#CCOCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000851722102 612985040 /nfs/dbraw/zinc/98/50/40/612985040.db2.gz AMWZFPWBNUXELP-AWEZNQCLSA-N 1 2 258.321 0.548 20 30 CCEDLO C#CCOCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000851722102 612985042 /nfs/dbraw/zinc/98/50/42/612985042.db2.gz AMWZFPWBNUXELP-AWEZNQCLSA-N 1 2 258.321 0.548 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000830787088 612993780 /nfs/dbraw/zinc/99/37/80/612993780.db2.gz OZFCLKOTAOHHNB-ZDUSSCGKSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000830787088 612993781 /nfs/dbraw/zinc/99/37/81/612993781.db2.gz OZFCLKOTAOHHNB-ZDUSSCGKSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928649953 612997111 /nfs/dbraw/zinc/99/71/11/612997111.db2.gz UGOZAPSMNTYTAU-STQMWFEESA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCSCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913474651 613010317 /nfs/dbraw/zinc/01/03/17/613010317.db2.gz FDOPWVWYKUNHTG-GFCCVEGCSA-N 1 2 278.381 0.259 20 30 CCEDLO C#CC1(F)CN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000883035935 612947171 /nfs/dbraw/zinc/94/71/71/612947171.db2.gz UTEUGEFJTVVZJM-UHFFFAOYSA-N 1 2 250.277 0.640 20 30 CCEDLO C#CCSCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000890514997 613011461 /nfs/dbraw/zinc/01/14/61/613011461.db2.gz WVLGQGOIIUPEQG-CHWSQXEVSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCSCC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000887880948 613012356 /nfs/dbraw/zinc/01/23/56/613012356.db2.gz CSSGMBWVWKNQEA-ZDUSSCGKSA-N 1 2 284.425 0.826 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)CCc1c[nH+]cn1C ZINC000863782966 613019432 /nfs/dbraw/zinc/01/94/32/613019432.db2.gz FINAICJUZMOAPO-LBPRGKRZSA-N 1 2 263.341 0.897 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCc1c[nH+]cn1C ZINC000858464354 613021030 /nfs/dbraw/zinc/02/10/30/613021030.db2.gz IYBBQJAHVHGUEX-NSHDSACASA-N 1 2 264.329 0.648 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC2(CC(NCC#N)C2)C1 ZINC000965885992 649939673 /nfs/dbraw/zinc/93/96/73/649939673.db2.gz JKYLKDUZNJZGOL-UHFFFAOYSA-N 1 2 287.367 0.801 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000931146345 612953081 /nfs/dbraw/zinc/95/30/81/612953081.db2.gz KVSVHMJJQJWJNL-ZDUSSCGKSA-N 1 2 276.311 0.812 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865260587 612953300 /nfs/dbraw/zinc/95/33/00/612953300.db2.gz YNRQFGWXCAQFLH-UHFFFAOYSA-N 1 2 289.408 0.144 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920092847 613050015 /nfs/dbraw/zinc/05/00/15/613050015.db2.gz ISNGNIICAHUNJP-UHFFFAOYSA-N 1 2 268.313 0.185 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920092847 613050017 /nfs/dbraw/zinc/05/00/17/613050017.db2.gz ISNGNIICAHUNJP-UHFFFAOYSA-N 1 2 268.313 0.185 20 30 CCEDLO C#CC[C@H](CCOC)Nc1[nH+]cnc(N)c1OC ZINC000858858726 613053097 /nfs/dbraw/zinc/05/30/97/613053097.db2.gz PIBFTQJZGLBAMA-SECBINFHSA-N 1 2 250.302 0.908 20 30 CCEDLO C#CCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000808306744 613055137 /nfs/dbraw/zinc/05/51/37/613055137.db2.gz CQMDZMIDFOPYJN-SNVBAGLBSA-N 1 2 253.327 0.141 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000816672549 613056946 /nfs/dbraw/zinc/05/69/46/613056946.db2.gz CRHYATWYKYFZNK-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844139759 613058231 /nfs/dbraw/zinc/05/82/31/613058231.db2.gz DEWRRVWVAWZOFX-DGCLKSJQSA-N 1 2 261.325 0.336 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845294 606890690 /nfs/dbraw/zinc/89/06/90/606890690.db2.gz SZBMZZSFSHSPBX-GXFFZTMASA-N 1 2 286.339 0.992 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845294 606890692 /nfs/dbraw/zinc/89/06/92/606890692.db2.gz SZBMZZSFSHSPBX-GXFFZTMASA-N 1 2 286.339 0.992 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000875929127 613062956 /nfs/dbraw/zinc/06/29/56/613062956.db2.gz XYVYPWFFIGOCHM-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CCN(CC[N@@H+]1CCO[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000852425517 613107518 /nfs/dbraw/zinc/10/75/18/613107518.db2.gz RFWKXKQLOMQUSW-AWEZNQCLSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCN(CC[N@H+]1CCO[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000852425517 613107520 /nfs/dbraw/zinc/10/75/20/613107520.db2.gz RFWKXKQLOMQUSW-AWEZNQCLSA-N 1 2 296.411 0.984 20 30 CCEDLO CC(C)NC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801911170 613916188 /nfs/dbraw/zinc/91/61/88/613916188.db2.gz GFBMXDYQAMWEQB-ZDUSSCGKSA-N 1 2 282.388 0.057 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854731117 614325801 /nfs/dbraw/zinc/32/58/01/614325801.db2.gz XGIUJXUDVRPVCE-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO COc1ccc(C=NNC2=[NH+]CCN2)cc1Cn1cccn1 ZINC000872385910 617238220 /nfs/dbraw/zinc/23/82/20/617238220.db2.gz UPVZHIZWSIWLLN-UHFFFAOYSA-N 1 2 298.350 0.823 20 30 CCEDLO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968751651 612962500 /nfs/dbraw/zinc/96/25/00/612962500.db2.gz ARXYQNHXBYBZDK-HTQZYQBOSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000968751651 612962501 /nfs/dbraw/zinc/96/25/01/612962501.db2.gz ARXYQNHXBYBZDK-HTQZYQBOSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870064375 612965472 /nfs/dbraw/zinc/96/54/72/612965472.db2.gz KTBNSUJIFFJCGR-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CCC1([NH2+]Cc2nnc(S(C)(=O)=O)s2)CCC1 ZINC000933296331 612970964 /nfs/dbraw/zinc/97/09/64/612970964.db2.gz DTWWXTAIXMURLE-UHFFFAOYSA-N 1 2 285.394 0.977 20 30 CCEDLO C#CCCc1cc(=O)n(CCC[NH+]2CCOCC2)[nH]1 ZINC000899352982 612974471 /nfs/dbraw/zinc/97/44/71/612974471.db2.gz RXASKENBSMMNAS-UHFFFAOYSA-N 1 2 263.341 0.710 20 30 CCEDLO C#CCOCC[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000851991125 612982514 /nfs/dbraw/zinc/98/25/14/612982514.db2.gz FPFIODJWFAPWIP-UHFFFAOYSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)ncn2C)C1 ZINC000950564069 612991288 /nfs/dbraw/zinc/99/12/88/612991288.db2.gz PEWDSYCMKFMKJV-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC000950919959 612991483 /nfs/dbraw/zinc/99/14/83/612991483.db2.gz PGONRCVJUKTHNN-TZMCWYRMSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC000950836170 612991577 /nfs/dbraw/zinc/99/15/77/612991577.db2.gz ZEZMWNRTJMDMOI-UHFFFAOYSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000830786680 612993585 /nfs/dbraw/zinc/99/35/85/612993585.db2.gz AAGVLJZGYYOKBN-OLZOCXBDSA-N 1 2 268.357 0.204 20 30 CCEDLO C#CC[C@H](CCOC)Nc1nc[nH+]c(N)c1OC ZINC000858858726 613053096 /nfs/dbraw/zinc/05/30/96/613053096.db2.gz PIBFTQJZGLBAMA-SECBINFHSA-N 1 2 250.302 0.908 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000816671065 613057333 /nfs/dbraw/zinc/05/73/33/613057333.db2.gz MJHHLGJQEXZMDV-LLVKDONJSA-N 1 2 270.292 0.381 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000798405207 613061766 /nfs/dbraw/zinc/06/17/66/613061766.db2.gz CRRNISJLVHDSFI-MJBXVCDLSA-N 1 2 297.399 0.169 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000858235256 613063206 /nfs/dbraw/zinc/06/32/06/613063206.db2.gz PFEOHKIFAASRFS-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000858235256 613063207 /nfs/dbraw/zinc/06/32/07/613063207.db2.gz PFEOHKIFAASRFS-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000858373577 613064952 /nfs/dbraw/zinc/06/49/52/613064952.db2.gz JVKNLAGRPJMTMY-NWDGAFQWSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000854909566 613069700 /nfs/dbraw/zinc/06/97/00/613069700.db2.gz CUKLBJUDGWWMAH-QWRGUYRKSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000888191280 613073712 /nfs/dbraw/zinc/07/37/12/613073712.db2.gz ICTDBZMNFUGKER-CABCVRRESA-N 1 2 292.427 0.677 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)[C@H]1CCCO1 ZINC000828952534 613099872 /nfs/dbraw/zinc/09/98/72/613099872.db2.gz ABEWSDJVKKWXIA-ZIAGYGMSSA-N 1 2 260.341 0.959 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000878705511 613111817 /nfs/dbraw/zinc/11/18/17/613111817.db2.gz YVBLHYZPXGEJBH-CQSZACIVSA-N 1 2 258.321 0.662 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000878705511 613111820 /nfs/dbraw/zinc/11/18/20/613111820.db2.gz YVBLHYZPXGEJBH-CQSZACIVSA-N 1 2 258.321 0.662 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC000941551566 613114613 /nfs/dbraw/zinc/11/46/13/613114613.db2.gz ATFAXOHVVNVFCI-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000941529023 613114911 /nfs/dbraw/zinc/11/49/11/613114911.db2.gz HCFTVKNYQAFPIN-FICVDOATSA-N 1 2 287.407 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)C1 ZINC000941549681 613115128 /nfs/dbraw/zinc/11/51/28/613115128.db2.gz DMDSUIHJXWMNJC-KGLIPLIRSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)C1 ZINC000941622886 613115304 /nfs/dbraw/zinc/11/53/04/613115304.db2.gz PFAGTSXVNWTZOQ-JKSUJKDBSA-N 1 2 289.423 0.740 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccn3C)CC2)C1 ZINC000941313505 613115564 /nfs/dbraw/zinc/11/55/64/613115564.db2.gz JAKABDGLWLDCAR-UHFFFAOYSA-N 1 2 286.379 0.100 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923215827 613117644 /nfs/dbraw/zinc/11/76/44/613117644.db2.gz QWMJGEPIZZLFQQ-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000923561834 613173648 /nfs/dbraw/zinc/17/36/48/613173648.db2.gz NKCIRWJBUPBZSB-LLVKDONJSA-N 1 2 290.319 0.476 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000923561834 613173649 /nfs/dbraw/zinc/17/36/49/613173649.db2.gz NKCIRWJBUPBZSB-LLVKDONJSA-N 1 2 290.319 0.476 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CC)C1 ZINC000885514245 613175861 /nfs/dbraw/zinc/17/58/61/613175861.db2.gz UWFORDQYBRZCHS-GFCCVEGCSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CC)C1 ZINC000885514245 613175862 /nfs/dbraw/zinc/17/58/62/613175862.db2.gz UWFORDQYBRZCHS-GFCCVEGCSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)no2)C1 ZINC000923564431 613190956 /nfs/dbraw/zinc/19/09/56/613190956.db2.gz YDAFTQSIVXXVMH-JTQLQIEISA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)no2)C1 ZINC000923564431 613190958 /nfs/dbraw/zinc/19/09/58/613190958.db2.gz YDAFTQSIVXXVMH-JTQLQIEISA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000884613116 613193693 /nfs/dbraw/zinc/19/36/93/613193693.db2.gz DJFVUOSJZLDBSQ-JTQLQIEISA-N 1 2 280.759 0.943 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000884613116 613193695 /nfs/dbraw/zinc/19/36/95/613193695.db2.gz DJFVUOSJZLDBSQ-JTQLQIEISA-N 1 2 280.759 0.943 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000899654864 613202036 /nfs/dbraw/zinc/20/20/36/613202036.db2.gz KBNBDPOKCSYMEL-KFWWJZLASA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000899654864 613202039 /nfs/dbraw/zinc/20/20/39/613202039.db2.gz KBNBDPOKCSYMEL-KFWWJZLASA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(Cl)n[nH]c2=O)CC1 ZINC000872402840 613209530 /nfs/dbraw/zinc/20/95/30/613209530.db2.gz LTMYNPXYJMNAPE-UHFFFAOYSA-N 1 2 252.705 0.591 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972271119 613210901 /nfs/dbraw/zinc/21/09/01/613210901.db2.gz GBNLFPDWZATNBC-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972271119 613210903 /nfs/dbraw/zinc/21/09/03/613210903.db2.gz GBNLFPDWZATNBC-HOCLYGCPSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972564838 613212978 /nfs/dbraw/zinc/21/29/78/613212978.db2.gz MREYFUZIAFMADD-IIAWOOMASA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972564838 613212979 /nfs/dbraw/zinc/21/29/79/613212979.db2.gz MREYFUZIAFMADD-IIAWOOMASA-N 1 2 276.380 0.969 20 30 CCEDLO C/C(=C/C(=O)Nc1n[nH]cc1C#N)C[NH+]1CCOCC1 ZINC000910944240 613240552 /nfs/dbraw/zinc/24/05/52/613240552.db2.gz NMAFZHLRDGCNQV-POHAHGRESA-N 1 2 275.312 0.498 20 30 CCEDLO C/C(=C\C(=O)N(CC#N)CC#N)C[NH+]1CCOCC1 ZINC000900463946 613248553 /nfs/dbraw/zinc/24/85/53/613248553.db2.gz IVUIIQLHQQUMLJ-ZRDIBKRKSA-N 1 2 262.313 0.141 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000949483527 613317900 /nfs/dbraw/zinc/31/79/00/613317900.db2.gz GGYCFKJNRNSNRX-KBPBESRZSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC000949493921 613318754 /nfs/dbraw/zinc/31/87/54/613318754.db2.gz CTBMEUVTOKKOHT-CQSZACIVSA-N 1 2 292.383 0.828 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C23CC(C2)C3)CC1 ZINC000859226010 613328508 /nfs/dbraw/zinc/32/85/08/613328508.db2.gz VABFLAAUQXFNTL-UHFFFAOYSA-N 1 2 289.379 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C23CC(C2)C3)CC1 ZINC000859226010 613328510 /nfs/dbraw/zinc/32/85/10/613328510.db2.gz VABFLAAUQXFNTL-UHFFFAOYSA-N 1 2 289.379 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCF)CC1 ZINC000826549593 613328776 /nfs/dbraw/zinc/32/87/76/613328776.db2.gz JZNDGUBTMWADEQ-UHFFFAOYSA-N 1 2 283.347 0.020 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCF)CC1 ZINC000826549593 613328778 /nfs/dbraw/zinc/32/87/78/613328778.db2.gz JZNDGUBTMWADEQ-UHFFFAOYSA-N 1 2 283.347 0.020 20 30 CCEDLO C=C(C)COCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901081009 613351855 /nfs/dbraw/zinc/35/18/55/613351855.db2.gz IWQPTPWNXUTPQA-GXDHUFHOSA-N 1 2 282.384 0.974 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000883630767 613355048 /nfs/dbraw/zinc/35/50/48/613355048.db2.gz CORATDNBUDGMJJ-RYUDHWBXSA-N 1 2 278.356 0.824 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883143696 613357671 /nfs/dbraw/zinc/35/76/71/613357671.db2.gz SHBCQLZOKICBNU-NWDGAFQWSA-N 1 2 266.345 0.898 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882892663 613358024 /nfs/dbraw/zinc/35/80/24/613358024.db2.gz BSJJBXXRCMLERI-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(COC)COC)CC1 ZINC000930708684 613362432 /nfs/dbraw/zinc/36/24/32/613362432.db2.gz UMSZYTAFWTZPNR-AWEZNQCLSA-N 1 2 272.389 0.202 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC000969901285 613372024 /nfs/dbraw/zinc/37/20/24/613372024.db2.gz DNCNLKXBXRKVTR-SECBINFHSA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000969480810 613372287 /nfs/dbraw/zinc/37/22/87/613372287.db2.gz UPIDCEVLPOGIDK-WDEREUQCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1 ZINC000958512310 613380331 /nfs/dbraw/zinc/38/03/31/613380331.db2.gz OGSWOMKZFARCCY-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1 ZINC000958512310 613380332 /nfs/dbraw/zinc/38/03/32/613380332.db2.gz OGSWOMKZFARCCY-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663893 613399227 /nfs/dbraw/zinc/39/92/27/613399227.db2.gz SPEFKYXDDKSUJZ-QWRGUYRKSA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663893 613399231 /nfs/dbraw/zinc/39/92/31/613399231.db2.gz SPEFKYXDDKSUJZ-QWRGUYRKSA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925591563 613401897 /nfs/dbraw/zinc/40/18/97/613401897.db2.gz BVIASTAUCMQVLN-KGLIPLIRSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000949666780 613433301 /nfs/dbraw/zinc/43/33/01/613433301.db2.gz CZFFNQGWXRWWTK-UHFFFAOYSA-N 1 2 294.399 0.368 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000845616533 613486245 /nfs/dbraw/zinc/48/62/45/613486245.db2.gz KOVGPVQEVPKBMV-AGIUHOORSA-N 1 2 283.372 0.997 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000845640340 613486657 /nfs/dbraw/zinc/48/66/57/613486657.db2.gz FUTWTTOUUSSPNY-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000845640340 613486659 /nfs/dbraw/zinc/48/66/59/613486659.db2.gz FUTWTTOUUSSPNY-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000983590083 613553088 /nfs/dbraw/zinc/55/30/88/613553088.db2.gz QBVMOOYIVRNBQK-UHFFFAOYSA-N 1 2 287.363 0.855 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000983590083 613553093 /nfs/dbraw/zinc/55/30/93/613553093.db2.gz QBVMOOYIVRNBQK-UHFFFAOYSA-N 1 2 287.363 0.855 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000949072345 613567763 /nfs/dbraw/zinc/56/77/63/613567763.db2.gz FQIYWRGLEKJTCE-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972291009 613570352 /nfs/dbraw/zinc/57/03/52/613570352.db2.gz KXOSLSIINDAZRM-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972291009 613570354 /nfs/dbraw/zinc/57/03/54/613570354.db2.gz KXOSLSIINDAZRM-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874702563 613572312 /nfs/dbraw/zinc/57/23/12/613572312.db2.gz HOZTZBZQVFTKKN-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874702563 613572314 /nfs/dbraw/zinc/57/23/14/613572314.db2.gz HOZTZBZQVFTKKN-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868787162 613583543 /nfs/dbraw/zinc/58/35/43/613583543.db2.gz QWVVQAFBYNKTTL-BPJJOFIESA-N 1 2 268.357 0.318 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCCn3nncc3C2)nn1 ZINC000886467145 613598410 /nfs/dbraw/zinc/59/84/10/613598410.db2.gz WMDDLDGQAWKMHE-UHFFFAOYSA-N 1 2 273.344 0.852 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCCn3nncc3C2)nn1 ZINC000886467145 613598411 /nfs/dbraw/zinc/59/84/11/613598411.db2.gz WMDDLDGQAWKMHE-UHFFFAOYSA-N 1 2 273.344 0.852 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867324555 613608416 /nfs/dbraw/zinc/60/84/16/613608416.db2.gz GPSHXBHBXXRXBU-CQSZACIVSA-N 1 2 287.363 0.934 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867324555 613608417 /nfs/dbraw/zinc/60/84/17/613608417.db2.gz GPSHXBHBXXRXBU-CQSZACIVSA-N 1 2 287.363 0.934 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc3nonc3c2)nn1 ZINC000881208519 613645115 /nfs/dbraw/zinc/64/51/15/613645115.db2.gz RFFNBIMDMBZIPC-UHFFFAOYSA-N 1 2 282.307 0.976 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000957418320 613654315 /nfs/dbraw/zinc/65/43/15/613654315.db2.gz CLLXAWKXFIYXTO-GFCCVEGCSA-N 1 2 289.383 0.559 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)cn2)C1 ZINC000951557687 613656404 /nfs/dbraw/zinc/65/64/04/613656404.db2.gz QRYSVOTYOPABPG-UHFFFAOYSA-N 1 2 262.313 0.102 20 30 CCEDLO CC(=[NH+]N[C@H]1CCS(=O)(=O)C1)c1cc(N)ccc1F ZINC000814680519 613657151 /nfs/dbraw/zinc/65/71/51/613657151.db2.gz UOQJIPOSTODBJY-JTQLQIEISA-N 1 2 285.344 0.909 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844339889 613707052 /nfs/dbraw/zinc/70/70/52/613707052.db2.gz FJIVOVOGZZZUCY-UHFFFAOYSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cncn2C)CC1 ZINC000957508666 613708333 /nfs/dbraw/zinc/70/83/33/613708333.db2.gz IOAJRCPDRUQOTE-UHFFFAOYSA-N 1 2 262.357 0.683 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 ZINC000949606441 613708814 /nfs/dbraw/zinc/70/88/14/613708814.db2.gz BULUEQTVGWIVCO-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000951120600 613711392 /nfs/dbraw/zinc/71/13/92/613711392.db2.gz WDGMAUWYVGYIMY-CHWSQXEVSA-N 1 2 279.384 0.608 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COCCN2CC)CC1 ZINC000949002434 613711997 /nfs/dbraw/zinc/71/19/97/613711997.db2.gz WWZNXKZZYNHLLV-ZDUSSCGKSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(=O)n(CCC)n2)CC1 ZINC000957617888 613715841 /nfs/dbraw/zinc/71/58/41/613715841.db2.gz QCLDWNBMUZKPQA-UHFFFAOYSA-N 1 2 290.367 0.597 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3nccnc3c2)CC1 ZINC000948797774 613717841 /nfs/dbraw/zinc/71/78/41/613717841.db2.gz AXAPEQVDMPIWMF-UHFFFAOYSA-N 1 2 283.335 0.969 20 30 CCEDLO C=CCN1CCN(C[NH+](CCOC)CCOC)C1=O ZINC000839959877 613719787 /nfs/dbraw/zinc/71/97/87/613719787.db2.gz OBLJRDRYVUKBAL-UHFFFAOYSA-N 1 2 271.361 0.462 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972219482 613725400 /nfs/dbraw/zinc/72/54/00/613725400.db2.gz YDLRFLLZIKGHHC-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972219482 613725404 /nfs/dbraw/zinc/72/54/04/613725404.db2.gz YDLRFLLZIKGHHC-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972591619 613727633 /nfs/dbraw/zinc/72/76/33/613727633.db2.gz CSBJGLNTHAHJMP-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972591619 613727637 /nfs/dbraw/zinc/72/76/37/613727637.db2.gz CSBJGLNTHAHJMP-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC[S@@](=O)C(F)(F)F)C1=O ZINC000930310320 613738242 /nfs/dbraw/zinc/73/82/42/613738242.db2.gz DWUYCQPKNMEQHL-AYLIAGHASA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC[S@@](=O)C(F)(F)F)C1=O ZINC000930310320 613738243 /nfs/dbraw/zinc/73/82/43/613738243.db2.gz DWUYCQPKNMEQHL-AYLIAGHASA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000155956716 613844911 /nfs/dbraw/zinc/84/49/11/613844911.db2.gz JJHGGAKUXMKEHN-UHFFFAOYSA-N 1 2 262.313 0.697 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934483054 613849682 /nfs/dbraw/zinc/84/96/82/613849682.db2.gz LMKRHBCOORUGEE-AWEZNQCLSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934483054 613849683 /nfs/dbraw/zinc/84/96/83/613849683.db2.gz LMKRHBCOORUGEE-AWEZNQCLSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000884165840 613877835 /nfs/dbraw/zinc/87/78/35/613877835.db2.gz PNIGVEXUNPIDHO-SMDDNHRTSA-N 1 2 282.340 0.072 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OC[C@H]1CC ZINC000884053402 613877935 /nfs/dbraw/zinc/87/79/35/613877935.db2.gz VPPKWTJJUXHTCB-TUAOUCFPSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000884102389 613878091 /nfs/dbraw/zinc/87/80/91/613878091.db2.gz ALTUNGJUOYOGEQ-MNOVXSKESA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@@H](CC)C1 ZINC000884104521 613878093 /nfs/dbraw/zinc/87/80/93/613878093.db2.gz OBLXLUSWJBBHSJ-WOPDTQHZSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(F)(F)C(F)F ZINC000884333861 613878125 /nfs/dbraw/zinc/87/81/25/613878125.db2.gz ADZHVQPPFLQELO-LURJTMIESA-N 1 2 286.225 0.450 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H](C)CC ZINC000884400299 613878237 /nfs/dbraw/zinc/87/82/37/613878237.db2.gz BYTGZUHORCXHKR-QWRGUYRKSA-N 1 2 256.346 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000884095236 613878303 /nfs/dbraw/zinc/87/83/03/613878303.db2.gz JIORKLGAYXXYOD-JSGCOSHPSA-N 1 2 288.347 0.889 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CCCS1 ZINC000884162108 613878445 /nfs/dbraw/zinc/87/84/45/613878445.db2.gz WEOGOFPTJBPUFL-GXFFZTMASA-N 1 2 286.397 0.835 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cscn1 ZINC000884401987 613878471 /nfs/dbraw/zinc/87/84/71/613878471.db2.gz HGKWFLDYEZACJM-IUCAKERBSA-N 1 2 283.353 0.767 20 30 CCEDLO C=CCOCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923277658 613880241 /nfs/dbraw/zinc/88/02/41/613880241.db2.gz IXHUKCJVZOKVHO-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865091102 614186794 /nfs/dbraw/zinc/18/67/94/614186794.db2.gz RRYPOWHXSPUAPR-STQMWFEESA-N 1 2 291.355 0.135 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933905975 614285787 /nfs/dbraw/zinc/28/57/87/614285787.db2.gz HQBZGJDOVBVRCW-DOMZBBRYSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933905975 614285789 /nfs/dbraw/zinc/28/57/89/614285789.db2.gz HQBZGJDOVBVRCW-DOMZBBRYSA-N 1 2 295.383 0.878 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@H]1[C@@H]1CCCO1 ZINC000810028493 614611582 /nfs/dbraw/zinc/61/15/82/614611582.db2.gz KFIZWRYIRUEAJO-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@H]1[C@@H]1CCCO1 ZINC000810028493 614611583 /nfs/dbraw/zinc/61/15/83/614611583.db2.gz KFIZWRYIRUEAJO-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[C@]1(C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868464587 614798001 /nfs/dbraw/zinc/79/80/01/614798001.db2.gz VXMXZFFJRNCYQX-VQTKUKTRSA-N 1 2 263.341 0.683 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861669 615064771 /nfs/dbraw/zinc/06/47/71/615064771.db2.gz GXIVVLBSLMMJDD-NEPJUHHUSA-N 1 2 296.371 0.425 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861669 615064773 /nfs/dbraw/zinc/06/47/73/615064773.db2.gz GXIVVLBSLMMJDD-NEPJUHHUSA-N 1 2 296.371 0.425 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805470900 615185189 /nfs/dbraw/zinc/18/51/89/615185189.db2.gz YTHUSOHIGBANAJ-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805470900 615185191 /nfs/dbraw/zinc/18/51/91/615185191.db2.gz YTHUSOHIGBANAJ-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000851999074 615207235 /nfs/dbraw/zinc/20/72/35/615207235.db2.gz FJLAFGYNHDSEPM-OAHLLOKOSA-N 1 2 299.378 0.696 20 30 CCEDLO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC000980849778 615275219 /nfs/dbraw/zinc/27/52/19/615275219.db2.gz NPZSJYBFENCGSG-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC000980849778 615275222 /nfs/dbraw/zinc/27/52/22/615275222.db2.gz NPZSJYBFENCGSG-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCc1nc(C#N)cs1 ZINC000902444458 615327798 /nfs/dbraw/zinc/32/77/98/615327798.db2.gz HLUNYYXRURHCHI-MWLCHTKSSA-N 1 2 280.353 0.398 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886089608 615532590 /nfs/dbraw/zinc/53/25/90/615532590.db2.gz FOAZPGMJKJHKOK-GFCCVEGCSA-N 1 2 288.413 0.798 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886089608 615532591 /nfs/dbraw/zinc/53/25/91/615532591.db2.gz FOAZPGMJKJHKOK-GFCCVEGCSA-N 1 2 288.413 0.798 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000871760363 615568940 /nfs/dbraw/zinc/56/89/40/615568940.db2.gz FLVCJKAXNFCYMX-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000871760363 615568941 /nfs/dbraw/zinc/56/89/41/615568941.db2.gz FLVCJKAXNFCYMX-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H](C#N)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906482224 615599925 /nfs/dbraw/zinc/59/99/25/615599925.db2.gz OLKQFGPAKRDRRY-CYBMUJFWSA-N 1 2 290.367 0.852 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC000968627092 615812922 /nfs/dbraw/zinc/81/29/22/615812922.db2.gz MMAAHXVDLHAHCI-GFCCVEGCSA-N 1 2 288.351 0.736 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1cnc(C#N)cn1 ZINC000872771828 615929690 /nfs/dbraw/zinc/92/96/90/615929690.db2.gz LNRBOWVEPBSHSU-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1cnc(C#N)cn1 ZINC000872771828 615929693 /nfs/dbraw/zinc/92/96/93/615929693.db2.gz LNRBOWVEPBSHSU-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(C)c1cc(F)c(C=[NH+]NCC(N)=O)cc1F ZINC000863107691 616006499 /nfs/dbraw/zinc/00/64/99/616006499.db2.gz APUJUYPSGYCCKQ-UHFFFAOYSA-N 1 2 256.256 0.440 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296205 616041001 /nfs/dbraw/zinc/04/10/01/616041001.db2.gz PGNPNYIBTOPBNV-ZDUSSCGKSA-N 1 2 275.356 0.409 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000899895364 616067681 /nfs/dbraw/zinc/06/76/81/616067681.db2.gz RZHGJCVPEOGWLB-RWMBFGLXSA-N 1 2 291.351 0.144 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000899895364 616067682 /nfs/dbraw/zinc/06/76/82/616067682.db2.gz RZHGJCVPEOGWLB-RWMBFGLXSA-N 1 2 291.351 0.144 20 30 CCEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC000846329075 616133032 /nfs/dbraw/zinc/13/30/32/616133032.db2.gz METRONRVGDQQRB-CQSZACIVSA-N 1 2 284.319 0.947 20 30 CCEDLO C[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](CO)C1 ZINC000872606059 616247958 /nfs/dbraw/zinc/24/79/58/616247958.db2.gz MAQWSXXPYOGWIC-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](CO)C1 ZINC000872606059 616247959 /nfs/dbraw/zinc/24/79/59/616247959.db2.gz MAQWSXXPYOGWIC-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO COC(=O)C1(C#N)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000882420592 616345491 /nfs/dbraw/zinc/34/54/91/616345491.db2.gz LILDSAKENOJBKT-UHFFFAOYSA-N 1 2 275.308 0.857 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801938511 616427388 /nfs/dbraw/zinc/42/73/88/616427388.db2.gz FSGOLBVVOJZYRZ-WOPDTQHZSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCO[C@H](C)C#N ZINC000801938511 616427390 /nfs/dbraw/zinc/42/73/90/616427390.db2.gz FSGOLBVVOJZYRZ-WOPDTQHZSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)CCN(CC#N)Cc1c(C)cc[nH+]c1N ZINC000895453602 616547937 /nfs/dbraw/zinc/54/79/37/616547937.db2.gz COEUUEYXWRIRQP-UHFFFAOYSA-N 1 2 262.313 0.861 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886206248 616710031 /nfs/dbraw/zinc/71/00/31/616710031.db2.gz NZAHEBBSQBCOHH-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886206248 616710033 /nfs/dbraw/zinc/71/00/33/616710033.db2.gz NZAHEBBSQBCOHH-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO COC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000802310490 616745486 /nfs/dbraw/zinc/74/54/86/616745486.db2.gz WDTHKOFJTKPZJL-UTUOFQBUSA-N 1 2 299.371 0.342 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922240488 616833880 /nfs/dbraw/zinc/83/38/80/616833880.db2.gz GXUNAHYNRANENO-GHMZBOCLSA-N 1 2 286.378 0.521 20 30 CCEDLO CON=CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000809717727 617104140 /nfs/dbraw/zinc/10/41/40/617104140.db2.gz AJGLMGUXQISOCQ-GHMZBOCLSA-N 1 2 250.302 0.925 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567368 622756219 /nfs/dbraw/zinc/75/62/19/622756219.db2.gz PZGLRTLSGBXCJE-RDBSUJKOSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567368 622756225 /nfs/dbraw/zinc/75/62/25/622756225.db2.gz PZGLRTLSGBXCJE-RDBSUJKOSA-N 1 2 294.326 0.703 20 30 CCEDLO C[C@@H]1CCN(C(=O)NCC#CCO)C[C@@H]1n1cc[nH+]c1 ZINC000923776232 623327111 /nfs/dbraw/zinc/32/71/11/623327111.db2.gz PSNBOPOIINFPPA-OLZOCXBDSA-N 1 2 276.340 0.471 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024507025 623342681 /nfs/dbraw/zinc/34/26/81/623342681.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024507025 623342689 /nfs/dbraw/zinc/34/26/89/623342689.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001007540808 623666532 /nfs/dbraw/zinc/66/65/32/623666532.db2.gz HIVFUHZMCRWYNX-ZDUSSCGKSA-N 1 2 287.363 0.521 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001007540808 623666538 /nfs/dbraw/zinc/66/65/38/623666538.db2.gz HIVFUHZMCRWYNX-ZDUSSCGKSA-N 1 2 287.363 0.521 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705877 623851480 /nfs/dbraw/zinc/85/14/80/623851480.db2.gz OOESTDLTYZAWDU-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001020460736 624485439 /nfs/dbraw/zinc/48/54/39/624485439.db2.gz NLQYECMZRYLVAX-HDJSIYSDSA-N 1 2 295.346 0.955 20 30 CCEDLO O=C(/C=C/C[NH+]1CCOCC1)NCC#C[C@@H]1CCCCO1 ZINC000891116188 624729455 /nfs/dbraw/zinc/72/94/55/624729455.db2.gz KSAYTGOWQZYTPC-SZTZYQKNSA-N 1 2 292.379 0.564 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022303629 624917620 /nfs/dbraw/zinc/91/76/20/624917620.db2.gz FZQHHTGSPGWHBI-SDDRHHMPSA-N 1 2 273.340 0.206 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309856 624921028 /nfs/dbraw/zinc/92/10/28/624921028.db2.gz GYPSLNNZCVFLIQ-UTUOFQBUSA-N 1 2 273.340 0.206 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]2CO)c1 ZINC000934023605 625005759 /nfs/dbraw/zinc/00/57/59/625005759.db2.gz JTQIBLFXSOZTIP-CYBMUJFWSA-N 1 2 259.309 0.241 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934023605 625005762 /nfs/dbraw/zinc/00/57/62/625005762.db2.gz JTQIBLFXSOZTIP-CYBMUJFWSA-N 1 2 259.309 0.241 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978716100 630839566 /nfs/dbraw/zinc/83/95/66/630839566.db2.gz WLOXNLGEGKBELU-LPWJVIDDSA-N 1 2 299.378 0.647 20 30 CCEDLO N#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247988 631004323 /nfs/dbraw/zinc/00/43/23/631004323.db2.gz REYOUVRHVIFERK-BFHYXJOUSA-N 1 2 287.367 0.623 20 30 CCEDLO N#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980247989 631005134 /nfs/dbraw/zinc/00/51/34/631005134.db2.gz REYOUVRHVIFERK-IHRRRGAJSA-N 1 2 287.367 0.623 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000968359917 650012354 /nfs/dbraw/zinc/01/23/54/650012354.db2.gz DNTLSLQZKHHTGB-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cs1 ZINC000894117943 631531382 /nfs/dbraw/zinc/53/13/82/631531382.db2.gz VFHVXVIIFAWPKQ-ZDUSSCGKSA-N 1 2 290.348 0.794 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cs1 ZINC000894117943 631531387 /nfs/dbraw/zinc/53/13/87/631531387.db2.gz VFHVXVIIFAWPKQ-ZDUSSCGKSA-N 1 2 290.348 0.794 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000968471743 650016229 /nfs/dbraw/zinc/01/62/29/650016229.db2.gz KCCGMKMTFRWQLU-QWRGUYRKSA-N 1 2 261.329 0.302 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000186079251 631967789 /nfs/dbraw/zinc/96/77/89/631967789.db2.gz QIFJBELBRFCGFJ-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000186079251 631967798 /nfs/dbraw/zinc/96/77/98/631967798.db2.gz QIFJBELBRFCGFJ-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895165757 632000159 /nfs/dbraw/zinc/00/01/59/632000159.db2.gz MODPSRBDQQEHKN-SECBINFHSA-N 1 2 272.736 0.852 20 30 CCEDLO N#Cc1cncc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895960841 632181316 /nfs/dbraw/zinc/18/13/16/632181316.db2.gz ZSYGLBYKNXQYND-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895959662 632182452 /nfs/dbraw/zinc/18/24/52/632182452.db2.gz ATTIDWIAMJBRKM-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986209963 632729694 /nfs/dbraw/zinc/72/96/94/632729694.db2.gz FJNJAQMGTGODCD-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008490910 650116216 /nfs/dbraw/zinc/11/62/16/650116216.db2.gz WHBZNPRPELZNDL-NEPJUHHUSA-N 1 2 287.367 0.934 20 30 CCEDLO O=C(NCC#CCO)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908030129 635265708 /nfs/dbraw/zinc/26/57/08/635265708.db2.gz RPOPKWHJGWIXLY-UHFFFAOYSA-N 1 2 298.346 0.721 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261309 650195234 /nfs/dbraw/zinc/19/52/34/650195234.db2.gz YYAHSHIYBIJFDM-QWRGUYRKSA-N 1 2 274.748 0.345 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261309 650195235 /nfs/dbraw/zinc/19/52/35/650195235.db2.gz YYAHSHIYBIJFDM-QWRGUYRKSA-N 1 2 274.748 0.345 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011062078 650283948 /nfs/dbraw/zinc/28/39/48/650283948.db2.gz PVCIDTVJFPNTCY-NSHDSACASA-N 1 2 289.339 0.173 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547613 636838513 /nfs/dbraw/zinc/83/85/13/636838513.db2.gz SFGQMEJIALCHCQ-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547613 636838517 /nfs/dbraw/zinc/83/85/17/636838517.db2.gz SFGQMEJIALCHCQ-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000589301412 636897673 /nfs/dbraw/zinc/89/76/73/636897673.db2.gz BVQXQNFXSOLAHV-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000174088944 637241426 /nfs/dbraw/zinc/24/14/26/637241426.db2.gz PARPGOFUWUZWGE-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000174088944 637241434 /nfs/dbraw/zinc/24/14/34/637241434.db2.gz PARPGOFUWUZWGE-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561864 637770550 /nfs/dbraw/zinc/77/05/50/637770550.db2.gz AEWSKULTPYYBLH-ZDUSSCGKSA-N 1 2 295.383 0.833 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000090561864 637770554 /nfs/dbraw/zinc/77/05/54/637770554.db2.gz AEWSKULTPYYBLH-ZDUSSCGKSA-N 1 2 295.383 0.833 20 30 CCEDLO N#CCC[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577181 637907856 /nfs/dbraw/zinc/90/78/56/637907856.db2.gz NMQDCLQABDWZDR-RYUDHWBXSA-N 1 2 265.269 0.492 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994918539 638332933 /nfs/dbraw/zinc/33/29/33/638332933.db2.gz UDEBWVCMANCBCG-UHFFFAOYSA-N 1 2 288.351 0.566 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(CC#N)CC1(C)C ZINC000941164826 638517202 /nfs/dbraw/zinc/51/72/02/638517202.db2.gz XPOXUZHPLZVAJZ-CYBMUJFWSA-N 1 2 289.383 0.703 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941505917 638538230 /nfs/dbraw/zinc/53/82/30/638538230.db2.gz PQFLEAWRWNEAHX-GFCCVEGCSA-N 1 2 289.339 0.104 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(NCC#N)CC1 ZINC000996836513 638834298 /nfs/dbraw/zinc/83/42/98/638834298.db2.gz XOZBEIKQLDKFRB-UHFFFAOYSA-N 1 2 275.356 0.457 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000998388709 638914758 /nfs/dbraw/zinc/91/47/58/638914758.db2.gz IAUJWYWJNVEDLL-UHFFFAOYSA-N 1 2 288.351 0.636 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC(NCC#N)C1 ZINC000999006443 638954915 /nfs/dbraw/zinc/95/49/15/638954915.db2.gz DCAGJJCRTMAIQS-LKSINWNRSA-N 1 2 287.367 0.548 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000159712 639046912 /nfs/dbraw/zinc/04/69/12/639046912.db2.gz NKMFUJULNFDCKM-VXGBXAGGSA-N 1 2 287.367 0.934 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001001445226 639304404 /nfs/dbraw/zinc/30/44/04/639304404.db2.gz ZMOQDQXLLAIZPU-UHFFFAOYSA-N 1 2 295.346 0.953 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001001445226 639304412 /nfs/dbraw/zinc/30/44/12/639304412.db2.gz ZMOQDQXLLAIZPU-UHFFFAOYSA-N 1 2 295.346 0.953 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001015306468 650552157 /nfs/dbraw/zinc/55/21/57/650552157.db2.gz IZEDWMRFJHMXOG-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279426 650548831 /nfs/dbraw/zinc/54/88/31/650548831.db2.gz XETHKINYMHRKGG-LLVKDONJSA-N 1 2 290.319 0.476 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279426 650548838 /nfs/dbraw/zinc/54/88/38/650548838.db2.gz XETHKINYMHRKGG-LLVKDONJSA-N 1 2 290.319 0.476 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001015306468 650552161 /nfs/dbraw/zinc/55/21/61/650552161.db2.gz IZEDWMRFJHMXOG-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO C[C@H]1C[N@H+](C)CC1=NNCCC[NH+]1CCOCC1 ZINC000799486739 640576615 /nfs/dbraw/zinc/57/66/15/640576615.db2.gz NCIINBLSROJBOQ-LBPRGKRZSA-N 1 2 254.378 0.236 20 30 CCEDLO C[C@H]1CN(C)CC1=NNCCC[NH+]1CCOCC1 ZINC000799486739 640576623 /nfs/dbraw/zinc/57/66/23/640576623.db2.gz NCIINBLSROJBOQ-LBPRGKRZSA-N 1 2 254.378 0.236 20 30 CCEDLO C[C@@H]1CN(C2CC2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799488980 640577890 /nfs/dbraw/zinc/57/78/90/640577890.db2.gz NGADCVPDTWEWDQ-CYBMUJFWSA-N 1 2 280.416 0.768 20 30 CCEDLO O=S1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799489003 640578069 /nfs/dbraw/zinc/57/80/69/640578069.db2.gz ZGEFZEAGKCVFAY-UHFFFAOYSA-N 1 2 273.402 0.197 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000800411427 640612450 /nfs/dbraw/zinc/61/24/50/640612450.db2.gz UBFMPCAGAXSFTL-GFCCVEGCSA-N 1 2 298.346 0.744 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000801927361 640676744 /nfs/dbraw/zinc/67/67/44/640676744.db2.gz NZYAHQDSSOOSQM-UTUOFQBUSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000801927361 640676750 /nfs/dbraw/zinc/67/67/50/640676750.db2.gz NZYAHQDSSOOSQM-UTUOFQBUSA-N 1 2 251.330 0.658 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000806844183 640802978 /nfs/dbraw/zinc/80/29/78/640802978.db2.gz WEIKTNHTWHXZFT-CYBMUJFWSA-N 1 2 273.340 0.161 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000809572831 640900558 /nfs/dbraw/zinc/90/05/58/640900558.db2.gz UAXNSTDAEAPMAA-CQSZACIVSA-N 1 2 290.323 0.991 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000809878690 640908663 /nfs/dbraw/zinc/90/86/63/640908663.db2.gz AQTYRCNJWUZZLV-UHFFFAOYSA-N 1 2 273.300 0.852 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000812298076 640997156 /nfs/dbraw/zinc/99/71/56/640997156.db2.gz QGIWWPFWXVRDJO-UHFFFAOYSA-N 1 2 252.277 0.915 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354890 650721515 /nfs/dbraw/zinc/72/15/15/650721515.db2.gz RKWRYWFQRVCXMD-SNVBAGLBSA-N 1 2 298.774 0.280 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354890 650721520 /nfs/dbraw/zinc/72/15/20/650721520.db2.gz RKWRYWFQRVCXMD-SNVBAGLBSA-N 1 2 298.774 0.280 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000834498993 642586765 /nfs/dbraw/zinc/58/67/65/642586765.db2.gz CXDSWTUYKBRKPD-NWDGAFQWSA-N 1 2 282.307 0.313 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)o1 ZINC001017505227 650807151 /nfs/dbraw/zinc/80/71/51/650807151.db2.gz REJJQQXOOJUMJT-TXEJJXNPSA-N 1 2 289.335 0.290 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)o1 ZINC001017505227 650807153 /nfs/dbraw/zinc/80/71/53/650807153.db2.gz REJJQQXOOJUMJT-TXEJJXNPSA-N 1 2 289.335 0.290 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)O ZINC001017513679 650807809 /nfs/dbraw/zinc/80/78/09/650807809.db2.gz NZGTZMJKGFYSGM-TXEJJXNPSA-N 1 2 250.342 0.456 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)O ZINC001017513679 650807810 /nfs/dbraw/zinc/80/78/10/650807810.db2.gz NZGTZMJKGFYSGM-TXEJJXNPSA-N 1 2 250.342 0.456 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccn1C ZINC001017758663 650820846 /nfs/dbraw/zinc/82/08/46/650820846.db2.gz DMLBRUPLZXEYNF-OKILXGFUSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccn1C ZINC001017758663 650820848 /nfs/dbraw/zinc/82/08/48/650820848.db2.gz DMLBRUPLZXEYNF-OKILXGFUSA-N 1 2 286.379 0.661 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848133109 643601451 /nfs/dbraw/zinc/60/14/51/643601451.db2.gz ZRIKJTHBWJXTDD-PSASIEDQSA-N 1 2 266.301 0.085 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848133109 643601455 /nfs/dbraw/zinc/60/14/55/643601455.db2.gz ZRIKJTHBWJXTDD-PSASIEDQSA-N 1 2 266.301 0.085 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848133113 643602018 /nfs/dbraw/zinc/60/20/18/643602018.db2.gz ZRIKJTHBWJXTDD-WCBMZHEXSA-N 1 2 266.301 0.085 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848133113 643602025 /nfs/dbraw/zinc/60/20/25/643602025.db2.gz ZRIKJTHBWJXTDD-WCBMZHEXSA-N 1 2 266.301 0.085 20 30 CCEDLO CC1(C)NC(=O)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417351 643634571 /nfs/dbraw/zinc/63/45/71/643634571.db2.gz WMHAOYGGWABQAH-UHFFFAOYSA-N 1 2 263.345 0.907 20 30 CCEDLO C=CC[N@@H+](CCC(OC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000851841383 643890617 /nfs/dbraw/zinc/89/06/17/643890617.db2.gz QHVFPNFSEYSCOP-NSHDSACASA-N 1 2 277.386 0.671 20 30 CCEDLO C=CC[N@H+](CCC(OC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000851841383 643890622 /nfs/dbraw/zinc/89/06/22/643890622.db2.gz QHVFPNFSEYSCOP-NSHDSACASA-N 1 2 277.386 0.671 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018632606 650887450 /nfs/dbraw/zinc/88/74/50/650887450.db2.gz PBSREPRNNCCQAA-IUCAKERBSA-N 1 2 265.342 0.388 20 30 CCEDLO C=CC1CC[NH+](Cn2cnc(C(=O)OC)n2)CC1 ZINC000111166617 644091094 /nfs/dbraw/zinc/09/10/94/644091094.db2.gz YMNJYCTWHWJXHA-UHFFFAOYSA-N 1 2 250.302 0.920 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCCNC(=O)C1 ZINC000112209468 644199953 /nfs/dbraw/zinc/19/99/53/644199953.db2.gz YNYPCXYLJIWSCN-UHFFFAOYSA-N 1 2 259.309 0.759 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCCNC(=O)C1 ZINC000112209468 644199956 /nfs/dbraw/zinc/19/99/56/644199956.db2.gz YNYPCXYLJIWSCN-UHFFFAOYSA-N 1 2 259.309 0.759 20 30 CCEDLO O=S1(=O)CCC[C@@H](NN=Cc2cccc3[nH+]ccn32)C1 ZINC000863132817 645062504 /nfs/dbraw/zinc/06/25/04/645062504.db2.gz GAXBWDDXSBRERS-LLVKDONJSA-N 1 2 292.364 0.835 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCOC1 ZINC000865878534 645433495 /nfs/dbraw/zinc/43/34/95/645433495.db2.gz QVLPXFHMJVFGLR-ZDUSSCGKSA-N 1 2 260.297 0.587 20 30 CCEDLO CC(C)[C@H](O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000878159357 646874495 /nfs/dbraw/zinc/87/44/95/646874495.db2.gz JJUSPUKARJTPGR-OAHLLOKOSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)[C@H](O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000878159357 646874499 /nfs/dbraw/zinc/87/44/99/646874499.db2.gz JJUSPUKARJTPGR-OAHLLOKOSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)[C@H](O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000878159357 646874501 /nfs/dbraw/zinc/87/45/01/646874501.db2.gz JJUSPUKARJTPGR-OAHLLOKOSA-N 1 2 283.416 0.941 20 30 CCEDLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCCN(O)C1=O ZINC000878774770 646977343 /nfs/dbraw/zinc/97/73/43/646977343.db2.gz UVMNETIUZYSKSK-JTQLQIEISA-N 1 2 289.295 0.836 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000879586663 647078637 /nfs/dbraw/zinc/07/86/37/647078637.db2.gz RDOORGFMVQVADD-AWEZNQCLSA-N 1 2 298.346 0.485 20 30 CCEDLO N#CC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000881843983 647343622 /nfs/dbraw/zinc/34/36/22/647343622.db2.gz OSERVHKTGJUCIA-UHFFFAOYSA-N 1 2 268.342 0.448 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000887686906 648142616 /nfs/dbraw/zinc/14/26/16/648142616.db2.gz RBRSWQXVSHQTLQ-BXUZGUMPSA-N 1 2 274.324 0.587 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925597105 648445888 /nfs/dbraw/zinc/44/58/88/648445888.db2.gz GHVDXXRMYVWYCT-ZIAGYGMSSA-N 1 2 297.399 0.171 20 30 CCEDLO Cn1nccc1[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000932271280 649063064 /nfs/dbraw/zinc/06/30/64/649063064.db2.gz ODMXSNQQJNBBNJ-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1nccc1[C@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000932271280 649063065 /nfs/dbraw/zinc/06/30/65/649063065.db2.gz ODMXSNQQJNBBNJ-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000934509996 649178126 /nfs/dbraw/zinc/17/81/26/649178126.db2.gz FYNLYVHDNSTGMZ-GFCCVEGCSA-N 1 2 265.357 0.956 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000934509996 649178130 /nfs/dbraw/zinc/17/81/30/649178130.db2.gz FYNLYVHDNSTGMZ-GFCCVEGCSA-N 1 2 265.357 0.956 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948093278 649363089 /nfs/dbraw/zinc/36/30/89/649363089.db2.gz KXVVADTUBSBLSJ-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2cncnc2)C3)CCC1 ZINC001277445552 805582184 /nfs/dbraw/zinc/58/21/84/805582184.db2.gz CIWPXSFGULFJHW-ZDUSSCGKSA-N 1 2 297.362 0.861 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCOC ZINC001230533382 805612888 /nfs/dbraw/zinc/61/28/88/805612888.db2.gz WVOPBWKJPUKDRK-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCOC ZINC001230533382 805612891 /nfs/dbraw/zinc/61/28/91/805612891.db2.gz WVOPBWKJPUKDRK-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)oc1C ZINC001266267746 790364147 /nfs/dbraw/zinc/36/41/47/790364147.db2.gz NFFKJSQPWBTRBH-UHFFFAOYSA-N 1 2 292.339 0.198 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)oc1C ZINC001266267746 790364157 /nfs/dbraw/zinc/36/41/57/790364157.db2.gz NFFKJSQPWBTRBH-UHFFFAOYSA-N 1 2 292.339 0.198 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001266314168 790489591 /nfs/dbraw/zinc/48/95/91/790489591.db2.gz GUSDKFFVEFEABD-JVOXIWMLSA-N 1 2 265.357 0.445 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001266314168 790489594 /nfs/dbraw/zinc/48/95/94/790489594.db2.gz GUSDKFFVEFEABD-JVOXIWMLSA-N 1 2 265.357 0.445 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001266317318 790495410 /nfs/dbraw/zinc/49/54/10/790495410.db2.gz PUAZKGPBHNHCCL-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001266317318 790495419 /nfs/dbraw/zinc/49/54/19/790495419.db2.gz PUAZKGPBHNHCCL-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1CCC(=C)CC1 ZINC001266321103 790502615 /nfs/dbraw/zinc/50/26/15/790502615.db2.gz QYRKSQRYXMRKNY-UHFFFAOYSA-N 1 2 291.395 0.530 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1CCC(=C)CC1 ZINC001266321103 790502621 /nfs/dbraw/zinc/50/26/21/790502621.db2.gz QYRKSQRYXMRKNY-UHFFFAOYSA-N 1 2 291.395 0.530 20 30 CCEDLO Cc1cccn2cc(CC(=O)NCCN(C)CC#N)[nH+]c12 ZINC001266338052 790538147 /nfs/dbraw/zinc/53/81/47/790538147.db2.gz VVHLEVKVQNNVOA-UHFFFAOYSA-N 1 2 285.351 0.757 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001266342817 790545461 /nfs/dbraw/zinc/54/54/61/790545461.db2.gz UGFRWRSXKLVMCE-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001266342817 790545474 /nfs/dbraw/zinc/54/54/74/790545474.db2.gz UGFRWRSXKLVMCE-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001266489028 790781021 /nfs/dbraw/zinc/78/10/21/790781021.db2.gz VUKHMCVVUZEVCS-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001266489028 790781030 /nfs/dbraw/zinc/78/10/30/790781030.db2.gz VUKHMCVVUZEVCS-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2nnccc2C#N)C1 ZINC000400753071 790826621 /nfs/dbraw/zinc/82/66/21/790826621.db2.gz DRNRZQWRTKCSBI-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2nnccc2C#N)C1 ZINC000400753071 790826639 /nfs/dbraw/zinc/82/66/39/790826639.db2.gz DRNRZQWRTKCSBI-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125390945 790872280 /nfs/dbraw/zinc/87/22/80/790872280.db2.gz KJQPXKCOWVQRSP-UHFFFAOYSA-N 1 2 273.296 0.702 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001231234778 805757825 /nfs/dbraw/zinc/75/78/25/805757825.db2.gz WGPLPBVDVOTKBO-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001231234778 805757829 /nfs/dbraw/zinc/75/78/29/805757829.db2.gz WGPLPBVDVOTKBO-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO CCOC(=O)CN(CCC#N)Cc1c[nH+]c(C)[nH]1 ZINC001232465774 805943152 /nfs/dbraw/zinc/94/31/52/805943152.db2.gz PIBGFFMCQCDZMV-UHFFFAOYSA-N 1 2 250.302 0.997 20 30 CCEDLO CCOC(=O)CN(CCC#N)Cc1c[nH]c(C)[nH+]1 ZINC001232465774 805943159 /nfs/dbraw/zinc/94/31/59/805943159.db2.gz PIBGFFMCQCDZMV-UHFFFAOYSA-N 1 2 250.302 0.997 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COCc2cccnc2)C1 ZINC001277686418 805960689 /nfs/dbraw/zinc/96/06/89/805960689.db2.gz JXNDVWYGGRSGFJ-UHFFFAOYSA-N 1 2 287.363 0.764 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001232673460 805968051 /nfs/dbraw/zinc/96/80/51/805968051.db2.gz HAJWSJWYWDPTRN-RISCZKNCSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001232673460 805968056 /nfs/dbraw/zinc/96/80/56/805968056.db2.gz HAJWSJWYWDPTRN-RISCZKNCSA-N 1 2 262.309 0.439 20 30 CCEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673733 805967031 /nfs/dbraw/zinc/96/70/31/805967031.db2.gz LYUZSEZUGQGWIV-GJZGRUSLSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673733 805967035 /nfs/dbraw/zinc/96/70/35/805967035.db2.gz LYUZSEZUGQGWIV-GJZGRUSLSA-N 1 2 276.336 0.829 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386226 806051799 /nfs/dbraw/zinc/05/17/99/806051799.db2.gz KTRKTXDJSIYNAU-UHFFFAOYSA-N 1 2 259.309 0.974 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386226 806051809 /nfs/dbraw/zinc/05/18/09/806051809.db2.gz KTRKTXDJSIYNAU-UHFFFAOYSA-N 1 2 259.309 0.974 20 30 CCEDLO N#CCNC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266881716 791319889 /nfs/dbraw/zinc/31/98/89/791319889.db2.gz SWEFKDIDCSLMCM-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001266941476 791376330 /nfs/dbraw/zinc/37/63/30/791376330.db2.gz FPKPKJHOKTVBNH-SNVBAGLBSA-N 1 2 295.387 0.305 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267113539 791554909 /nfs/dbraw/zinc/55/49/09/791554909.db2.gz NJGTVLWPAGLDHK-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267113539 791554913 /nfs/dbraw/zinc/55/49/13/791554913.db2.gz NJGTVLWPAGLDHK-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C1CC1 ZINC001267190479 791649043 /nfs/dbraw/zinc/64/90/43/791649043.db2.gz CURUCKRBSJMCJE-LLVKDONJSA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C1CC1 ZINC001267190479 791649047 /nfs/dbraw/zinc/64/90/47/791649047.db2.gz CURUCKRBSJMCJE-LLVKDONJSA-N 1 2 267.373 0.383 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233760670 806116291 /nfs/dbraw/zinc/11/62/91/806116291.db2.gz CHMDPUWWVXOQGZ-CHWSQXEVSA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233760670 806116294 /nfs/dbraw/zinc/11/62/94/806116294.db2.gz CHMDPUWWVXOQGZ-CHWSQXEVSA-N 1 2 279.384 0.587 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052683 806174318 /nfs/dbraw/zinc/17/43/18/806174318.db2.gz ZPLKTOAMOSVKLF-STQMWFEESA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052683 806174322 /nfs/dbraw/zinc/17/43/22/806174322.db2.gz ZPLKTOAMOSVKLF-STQMWFEESA-N 1 2 250.342 0.577 20 30 CCEDLO COc1ccnnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234415649 806241074 /nfs/dbraw/zinc/24/10/74/806241074.db2.gz GIQCJDXOIDAFIM-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO COc1ccnnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234415649 806241079 /nfs/dbraw/zinc/24/10/79/806241079.db2.gz GIQCJDXOIDAFIM-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235684028 806491077 /nfs/dbraw/zinc/49/10/77/806491077.db2.gz ILWFIHHQPMBRDM-GFCCVEGCSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235684028 806491082 /nfs/dbraw/zinc/49/10/82/806491082.db2.gz ILWFIHHQPMBRDM-GFCCVEGCSA-N 1 2 293.392 0.939 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001235683236 806491418 /nfs/dbraw/zinc/49/14/18/806491418.db2.gz HEZICZVIHADQGU-UHFFFAOYSA-N 1 2 267.329 0.815 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001235683236 806491423 /nfs/dbraw/zinc/49/14/23/806491423.db2.gz HEZICZVIHADQGU-UHFFFAOYSA-N 1 2 267.329 0.815 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001120513985 798841520 /nfs/dbraw/zinc/84/15/20/798841520.db2.gz RLHOGQOEFOFHIJ-LBPRGKRZSA-N 1 2 286.335 0.240 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001237599537 806694834 /nfs/dbraw/zinc/69/48/34/806694834.db2.gz KICHECFRLWHRGZ-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001237599537 806694837 /nfs/dbraw/zinc/69/48/37/806694837.db2.gz KICHECFRLWHRGZ-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc[nH]n3)C2)C1=O ZINC001237599537 806694839 /nfs/dbraw/zinc/69/48/39/806694839.db2.gz KICHECFRLWHRGZ-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc[nH]n3)C2)C1=O ZINC001237599537 806694841 /nfs/dbraw/zinc/69/48/41/806694841.db2.gz KICHECFRLWHRGZ-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)CCC#N)n1 ZINC001120595604 798882538 /nfs/dbraw/zinc/88/25/38/798882538.db2.gz GOXMFTHMYWZLAL-LBPRGKRZSA-N 1 2 263.345 0.081 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CC)n2CC)CC1 ZINC001121883326 799083914 /nfs/dbraw/zinc/08/39/14/799083914.db2.gz GZMNCOHOXLNIND-GFCCVEGCSA-N 1 2 277.372 0.497 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc2coc(C)n2)C1 ZINC001278148016 806718307 /nfs/dbraw/zinc/71/83/07/806718307.db2.gz PYIFGMZKIXRSQK-LBPRGKRZSA-N 1 2 293.367 0.906 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCc1[nH+]ccn1C ZINC001123783776 799473608 /nfs/dbraw/zinc/47/36/08/799473608.db2.gz YQTZFTGPEQLBAS-UHFFFAOYSA-N 1 2 285.369 0.070 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001124488599 799608908 /nfs/dbraw/zinc/60/89/08/799608908.db2.gz RXMWADVJYQIFCA-LLVKDONJSA-N 1 2 296.371 0.819 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001124894838 799644346 /nfs/dbraw/zinc/64/43/46/799644346.db2.gz BWYPPUUWNMIGAY-LURJTMIESA-N 1 2 289.311 0.841 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(F)cc(C#N)c1 ZINC001139872863 799851815 /nfs/dbraw/zinc/85/18/15/799851815.db2.gz NMXSFRJJSZEREJ-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(F)cc(C#N)c1 ZINC001139872863 799851822 /nfs/dbraw/zinc/85/18/22/799851822.db2.gz NMXSFRJJSZEREJ-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001278235165 806784171 /nfs/dbraw/zinc/78/41/71/806784171.db2.gz VTGJGTSFZLKLIF-GHMZBOCLSA-N 1 2 278.360 0.255 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)nc1)C1CCS(=O)(=O)CC1 ZINC001140545798 799921411 /nfs/dbraw/zinc/92/14/11/799921411.db2.gz LHKPLGIVZPPMEA-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)nc1)C1CCS(=O)(=O)CC1 ZINC001140545798 799921419 /nfs/dbraw/zinc/92/14/19/799921419.db2.gz LHKPLGIVZPPMEA-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2=O)cc1C#N ZINC001238625707 806794245 /nfs/dbraw/zinc/79/42/45/806794245.db2.gz MZBOGDLPIKLNDL-LBPRGKRZSA-N 1 2 293.348 0.076 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC#N ZINC001143206650 800206640 /nfs/dbraw/zinc/20/66/40/800206640.db2.gz PSVBDMHHROSSFW-JTQLQIEISA-N 1 2 264.285 0.304 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC#N ZINC001143206650 800206642 /nfs/dbraw/zinc/20/66/42/800206642.db2.gz PSVBDMHHROSSFW-JTQLQIEISA-N 1 2 264.285 0.304 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001149294540 800243125 /nfs/dbraw/zinc/24/31/25/800243125.db2.gz VLCNOTTVWNMJEG-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001149294540 800243122 /nfs/dbraw/zinc/24/31/22/800243122.db2.gz VLCNOTTVWNMJEG-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC001153863330 800680421 /nfs/dbraw/zinc/68/04/21/800680421.db2.gz KDCIRCXMXMPHSL-OLZOCXBDSA-N 1 2 287.367 0.608 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC001153863330 800680423 /nfs/dbraw/zinc/68/04/23/800680423.db2.gz KDCIRCXMXMPHSL-OLZOCXBDSA-N 1 2 287.367 0.608 20 30 CCEDLO CCc1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155828911 801060208 /nfs/dbraw/zinc/06/02/08/801060208.db2.gz TXIQEHJRCUOXJV-SECBINFHSA-N 1 2 265.317 0.388 20 30 CCEDLO CC(C)c1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155827939 801060563 /nfs/dbraw/zinc/06/05/63/801060563.db2.gz IHLZLUIJCPQFKD-SNVBAGLBSA-N 1 2 279.344 0.949 20 30 CCEDLO CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206659790 801114531 /nfs/dbraw/zinc/11/45/31/801114531.db2.gz QURPLNBKUGXEID-OUCADQQQSA-N 1 2 289.383 0.999 20 30 CCEDLO CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206659790 801114533 /nfs/dbraw/zinc/11/45/33/801114533.db2.gz QURPLNBKUGXEID-OUCADQQQSA-N 1 2 289.383 0.999 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001156485172 801173883 /nfs/dbraw/zinc/17/38/83/801173883.db2.gz BYMVYGZCFIBVSS-TZMCWYRMSA-N 1 2 270.373 0.493 20 30 CCEDLO COc1cc(C#N)nc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC001158706919 801689602 /nfs/dbraw/zinc/68/96/02/801689602.db2.gz FSKSTARIUNGEIN-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)nc(NC[C@H]2COCC[N@H+]2C)c1 ZINC001158706919 801689607 /nfs/dbraw/zinc/68/96/07/801689607.db2.gz FSKSTARIUNGEIN-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001160508830 801953070 /nfs/dbraw/zinc/95/30/70/801953070.db2.gz VOQZAVPIAREWFO-GFCCVEGCSA-N 1 2 298.408 0.191 20 30 CCEDLO C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001160508830 801953073 /nfs/dbraw/zinc/95/30/73/801953073.db2.gz VOQZAVPIAREWFO-GFCCVEGCSA-N 1 2 298.408 0.191 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C#N)c(C#N)nc1CC ZINC001161950420 802256656 /nfs/dbraw/zinc/25/66/56/802256656.db2.gz FHAIYGZOMWQRJS-MRVPVSSYSA-N 1 2 288.311 0.085 20 30 CCEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1CCOC ZINC001259933539 808809060 /nfs/dbraw/zinc/80/90/60/808809060.db2.gz KFHQPMPLFSTSND-UHFFFAOYSA-N 1 2 259.331 0.135 20 30 CCEDLO CCC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001264367431 809644886 /nfs/dbraw/zinc/64/48/86/809644886.db2.gz YGEGSLWOCJFOBN-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO CCC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001264367431 809644893 /nfs/dbraw/zinc/64/48/93/809644893.db2.gz YGEGSLWOCJFOBN-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001267748740 811739469 /nfs/dbraw/zinc/73/94/69/811739469.db2.gz ATBDVKKSPCFAOO-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001267748740 811739473 /nfs/dbraw/zinc/73/94/73/811739473.db2.gz ATBDVKKSPCFAOO-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO N#CCc1cc[nH+]c(N2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001166980368 803007087 /nfs/dbraw/zinc/00/70/87/803007087.db2.gz BVMIXYLKHRELEL-RYUDHWBXSA-N 1 2 256.309 0.720 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)CC)C1 ZINC001276468913 803086711 /nfs/dbraw/zinc/08/67/11/803086711.db2.gz OOKBISZJUHTNJE-SNVBAGLBSA-N 1 2 274.386 0.044 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205740696 803169206 /nfs/dbraw/zinc/16/92/06/803169206.db2.gz SROKESGDSKTFFY-VXGBXAGGSA-N 1 2 289.335 0.079 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205740696 803169209 /nfs/dbraw/zinc/16/92/09/803169209.db2.gz SROKESGDSKTFFY-VXGBXAGGSA-N 1 2 289.335 0.079 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001205777452 803174159 /nfs/dbraw/zinc/17/41/59/803174159.db2.gz IKTQSLJSXPXEHK-VXGBXAGGSA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001205777452 803174164 /nfs/dbraw/zinc/17/41/64/803174164.db2.gz IKTQSLJSXPXEHK-VXGBXAGGSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](NC(=O)C#CC1CC1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280292134 813927163 /nfs/dbraw/zinc/92/71/63/813927163.db2.gz CEWWATYWLXKKGM-QWRGUYRKSA-N 1 2 288.351 0.375 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207444369 803403156 /nfs/dbraw/zinc/40/31/56/803403156.db2.gz QMQVZCFNZWXJJY-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207444369 803403160 /nfs/dbraw/zinc/40/31/60/803403160.db2.gz QMQVZCFNZWXJJY-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208294269 803502735 /nfs/dbraw/zinc/50/27/35/803502735.db2.gz BKZSUXVMAKLGSO-GHMZBOCLSA-N 1 2 267.373 0.511 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208294269 803502736 /nfs/dbraw/zinc/50/27/36/803502736.db2.gz BKZSUXVMAKLGSO-GHMZBOCLSA-N 1 2 267.373 0.511 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@H](OC)C1 ZINC001213963442 803707895 /nfs/dbraw/zinc/70/78/95/803707895.db2.gz DMCWRRGXVKQCJR-RBSFLKMASA-N 1 2 296.411 0.886 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@H](OC)C1 ZINC001213963442 803707900 /nfs/dbraw/zinc/70/79/00/803707900.db2.gz DMCWRRGXVKQCJR-RBSFLKMASA-N 1 2 296.411 0.886 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039270 814983062 /nfs/dbraw/zinc/98/30/62/814983062.db2.gz ICVFZHVNFIKWJT-IACUBPJLSA-N 1 2 288.351 0.557 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039270 814983067 /nfs/dbraw/zinc/98/30/67/814983067.db2.gz ICVFZHVNFIKWJT-IACUBPJLSA-N 1 2 288.351 0.557 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001219363738 804286889 /nfs/dbraw/zinc/28/68/89/804286889.db2.gz IGZZKTIRWQUBQQ-TUAOUCFPSA-N 1 2 274.336 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001219363738 804286892 /nfs/dbraw/zinc/28/68/92/804286892.db2.gz IGZZKTIRWQUBQQ-TUAOUCFPSA-N 1 2 274.336 0.098 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CC2)[C@H](OC)C1 ZINC001212081679 815007984 /nfs/dbraw/zinc/00/79/84/815007984.db2.gz RNUJFVNZBGOMAK-BPLDGKMQSA-N 1 2 294.395 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CC2)[C@H](OC)C1 ZINC001212081679 815007986 /nfs/dbraw/zinc/00/79/86/815007986.db2.gz RNUJFVNZBGOMAK-BPLDGKMQSA-N 1 2 294.395 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(F)(F)F)[C@@H](O)C1 ZINC001220050397 804485412 /nfs/dbraw/zinc/48/54/12/804485412.db2.gz GTUGPSPQANIMMM-BBBLOLIVSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(F)(F)F)[C@@H](O)C1 ZINC001220050397 804485418 /nfs/dbraw/zinc/48/54/18/804485418.db2.gz GTUGPSPQANIMMM-BBBLOLIVSA-N 1 2 278.274 0.369 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220292095 804563395 /nfs/dbraw/zinc/56/33/95/804563395.db2.gz NOBGCKKSBSKCBT-IJEWVQPXSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220292095 804563400 /nfs/dbraw/zinc/56/34/00/804563400.db2.gz NOBGCKKSBSKCBT-IJEWVQPXSA-N 1 2 294.395 0.400 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220307642 804567731 /nfs/dbraw/zinc/56/77/31/804567731.db2.gz WUSYQGRJNUSHJN-TUVASFSCSA-N 1 2 294.395 0.234 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220307642 804567737 /nfs/dbraw/zinc/56/77/37/804567737.db2.gz WUSYQGRJNUSHJN-TUVASFSCSA-N 1 2 294.395 0.234 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220436245 804603927 /nfs/dbraw/zinc/60/39/27/804603927.db2.gz UETUXBPBYHNOMB-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220436245 804603932 /nfs/dbraw/zinc/60/39/32/804603932.db2.gz UETUXBPBYHNOMB-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089144 804866593 /nfs/dbraw/zinc/86/65/93/804866593.db2.gz AKPXFIXFBWOGOD-ZIAGYGMSSA-N 1 2 287.367 0.720 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978746 805047221 /nfs/dbraw/zinc/04/72/21/805047221.db2.gz NEHBNFPOPVLIFO-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978746 805047230 /nfs/dbraw/zinc/04/72/30/805047230.db2.gz NEHBNFPOPVLIFO-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO COc1ccnc(OC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001225567276 805142432 /nfs/dbraw/zinc/14/24/32/805142432.db2.gz UUNDXOWPTPQNNS-SNVBAGLBSA-N 1 2 263.297 0.671 20 30 CCEDLO COc1ccnc(OC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001225567276 805142435 /nfs/dbraw/zinc/14/24/35/805142435.db2.gz UUNDXOWPTPQNNS-SNVBAGLBSA-N 1 2 263.297 0.671 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4nnccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226702479 805269783 /nfs/dbraw/zinc/26/97/83/805269783.db2.gz RWVWXXJQMOXYKV-ZQLNZSQWSA-N 1 2 285.307 0.411 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4nnccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226702479 805269790 /nfs/dbraw/zinc/26/97/90/805269790.db2.gz RWVWXXJQMOXYKV-ZQLNZSQWSA-N 1 2 285.307 0.411 20 30 CCEDLO C=CCNC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001277172664 805305659 /nfs/dbraw/zinc/30/56/59/805305659.db2.gz OJTNFFVMSPUPSY-UHFFFAOYSA-N 1 2 275.356 0.539 20 30 CCEDLO C=CCNC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001277172664 805305670 /nfs/dbraw/zinc/30/56/70/805305670.db2.gz OJTNFFVMSPUPSY-UHFFFAOYSA-N 1 2 275.356 0.539 20 30 CCEDLO C[C@H](CC(=O)NCC1(NCC#N)CC1)n1cc[nH+]c1 ZINC001277190129 805332997 /nfs/dbraw/zinc/33/29/97/805332997.db2.gz VRUZKUTZUFCOSX-LLVKDONJSA-N 1 2 261.329 0.596 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229313912 805520210 /nfs/dbraw/zinc/52/02/10/805520210.db2.gz OMJRFBDGZRMMIR-UHSPONAGSA-N 1 2 275.308 0.172 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229313912 805520216 /nfs/dbraw/zinc/52/02/16/805520216.db2.gz OMJRFBDGZRMMIR-UHSPONAGSA-N 1 2 275.308 0.172 20 30 CCEDLO CCO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001278342242 806993027 /nfs/dbraw/zinc/99/30/27/806993027.db2.gz TVQYABKMDLLRAA-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246036193 807129804 /nfs/dbraw/zinc/12/98/04/807129804.db2.gz JZJQJTSWWIMNSN-LLVKDONJSA-N 1 2 251.330 0.518 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCn2cnc(CO)c2C1 ZINC001246036193 807129807 /nfs/dbraw/zinc/12/98/07/807129807.db2.gz JZJQJTSWWIMNSN-LLVKDONJSA-N 1 2 251.330 0.518 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](NC2(C#N)Cc3ccccc3C2)C[NH2+]1 ZINC001246494029 807264756 /nfs/dbraw/zinc/26/47/56/807264756.db2.gz CPTGXQRVIQZJKI-KGLIPLIRSA-N 1 2 285.347 0.541 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246770791 807375711 /nfs/dbraw/zinc/37/57/11/807375711.db2.gz SLSMFVRZGYCNKQ-KGLIPLIRSA-N 1 2 273.336 0.894 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](O)C1 ZINC001083471508 815125187 /nfs/dbraw/zinc/12/51/87/815125187.db2.gz ZMHGBVWPKLPKIQ-XGUBFFRZSA-N 1 2 294.395 0.232 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](O)C1 ZINC001083471508 815125189 /nfs/dbraw/zinc/12/51/89/815125189.db2.gz ZMHGBVWPKLPKIQ-XGUBFFRZSA-N 1 2 294.395 0.232 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(C(=O)OCC)n(C)n2)CC1 ZINC001250548285 807604216 /nfs/dbraw/zinc/60/42/16/807604216.db2.gz GOYFJIDWJUDGLQ-UHFFFAOYSA-N 1 2 290.367 0.348 20 30 CCEDLO N#CCNC[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278599529 807612912 /nfs/dbraw/zinc/61/29/12/807612912.db2.gz ANZRZSCRNPVLAG-GHMZBOCLSA-N 1 2 261.329 0.350 20 30 CCEDLO Cc1cccc(C#N)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251025906 807645270 /nfs/dbraw/zinc/64/52/70/807645270.db2.gz IPMIDDGQZBJTIW-AWEZNQCLSA-N 1 2 275.352 0.972 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001251821072 807708632 /nfs/dbraw/zinc/70/86/32/807708632.db2.gz FWWOEHOBQWYZPS-ZIAGYGMSSA-N 1 2 283.368 0.709 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251852018 807720030 /nfs/dbraw/zinc/72/00/30/807720030.db2.gz YHVCQEZRXSCNEN-DZGCQCFKSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251852018 807720032 /nfs/dbraw/zinc/72/00/32/807720032.db2.gz YHVCQEZRXSCNEN-DZGCQCFKSA-N 1 2 276.336 0.466 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001252454040 807870840 /nfs/dbraw/zinc/87/08/40/807870840.db2.gz MOXWNUZDHKLRIL-ZDUSSCGKSA-N 1 2 294.351 0.601 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252494892 807894007 /nfs/dbraw/zinc/89/40/07/807894007.db2.gz HLVVUGSQKUYAMQ-JTQLQIEISA-N 1 2 253.302 0.520 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252556387 807909378 /nfs/dbraw/zinc/90/93/78/807909378.db2.gz CXSDEXYBWILUSO-AWEZNQCLSA-N 1 2 279.340 0.882 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252556387 807909388 /nfs/dbraw/zinc/90/93/88/807909388.db2.gz CXSDEXYBWILUSO-AWEZNQCLSA-N 1 2 279.340 0.882 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](O)C1 ZINC001083490427 815159348 /nfs/dbraw/zinc/15/93/48/815159348.db2.gz FOEQOXJSDNVKRD-MNOVXSKESA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](O)C1 ZINC001083490427 815159353 /nfs/dbraw/zinc/15/93/53/815159353.db2.gz FOEQOXJSDNVKRD-MNOVXSKESA-N 1 2 298.293 0.076 20 30 CCEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126880943 815179200 /nfs/dbraw/zinc/17/92/00/815179200.db2.gz HQUHLDSBEUHADX-JTQLQIEISA-N 1 2 276.340 0.812 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC001278766234 808194367 /nfs/dbraw/zinc/19/43/67/808194367.db2.gz IIJUDPRZKRTVKZ-CYBMUJFWSA-N 1 2 296.396 0.557 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC001278766234 808194373 /nfs/dbraw/zinc/19/43/73/808194373.db2.gz IIJUDPRZKRTVKZ-CYBMUJFWSA-N 1 2 296.396 0.557 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(c2ncccn2)CC1 ZINC001256055116 808462992 /nfs/dbraw/zinc/46/29/92/808462992.db2.gz FJIURGWLSWRWIO-ZDUSSCGKSA-N 1 2 272.356 0.243 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)c3ccc(C#N)cc3)C2)C1 ZINC001258103441 808653737 /nfs/dbraw/zinc/65/37/37/808653737.db2.gz RSYXDHCCFPBWHF-UHFFFAOYSA-N 1 2 277.349 0.494 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076077876 815239801 /nfs/dbraw/zinc/23/98/01/815239801.db2.gz DRMUHUFTYBDCID-QWHCGFSZSA-N 1 2 287.367 0.409 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001262031322 809165334 /nfs/dbraw/zinc/16/53/34/809165334.db2.gz NURDNEBTHKYNHR-LLVKDONJSA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001262031322 809165339 /nfs/dbraw/zinc/16/53/39/809165339.db2.gz NURDNEBTHKYNHR-LLVKDONJSA-N 1 2 269.320 0.074 20 30 CCEDLO C#CCN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001262898726 809421359 /nfs/dbraw/zinc/42/13/59/809421359.db2.gz UTCRQXKFUKUZSA-UHFFFAOYSA-N 1 2 277.372 0.089 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001265212745 809724992 /nfs/dbraw/zinc/72/49/92/809724992.db2.gz FHCIFPOPYLDWOR-QWHCGFSZSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001265212745 809724993 /nfs/dbraw/zinc/72/49/93/809724993.db2.gz FHCIFPOPYLDWOR-QWHCGFSZSA-N 1 2 277.368 0.115 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnco2)C1 ZINC001265296982 809750505 /nfs/dbraw/zinc/75/05/05/809750505.db2.gz HVXBMQKUOLHNPB-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnco2)C1 ZINC001265296982 809750508 /nfs/dbraw/zinc/75/05/08/809750508.db2.gz HVXBMQKUOLHNPB-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCN(CC#N)CC1 ZINC001279155415 809971126 /nfs/dbraw/zinc/97/11/26/809971126.db2.gz ASOXHQOTLLZIHL-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)[nH]1 ZINC001076890438 815408549 /nfs/dbraw/zinc/40/85/49/815408549.db2.gz ZNDXKHFBXHEFNZ-IYODYBDTSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)[nH]1 ZINC001076890438 815408550 /nfs/dbraw/zinc/40/85/50/815408550.db2.gz ZNDXKHFBXHEFNZ-IYODYBDTSA-N 1 2 294.742 0.414 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001038281802 811164131 /nfs/dbraw/zinc/16/41/31/811164131.db2.gz UWLQOAOOBNBCGV-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001038281802 811164134 /nfs/dbraw/zinc/16/41/34/811164134.db2.gz UWLQOAOOBNBCGV-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001038281799 811164680 /nfs/dbraw/zinc/16/46/80/811164680.db2.gz UWLQOAOOBNBCGV-KBPBESRZSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001038281799 811164684 /nfs/dbraw/zinc/16/46/84/811164684.db2.gz UWLQOAOOBNBCGV-KBPBESRZSA-N 1 2 291.395 0.459 20 30 CCEDLO Cc1noc(C[NH2+]CCN(C)C(=O)C#CC(C)(C)C)n1 ZINC001267371479 811226569 /nfs/dbraw/zinc/22/65/69/811226569.db2.gz LMYWHRVNYKTLJD-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(C#N)c1 ZINC001137699845 811255403 /nfs/dbraw/zinc/25/54/03/811255403.db2.gz XDYLNYCEINCRPL-SWLSCSKDSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(C#N)c1 ZINC001137699845 811255409 /nfs/dbraw/zinc/25/54/09/811255409.db2.gz XDYLNYCEINCRPL-SWLSCSKDSA-N 1 2 276.336 0.742 20 30 CCEDLO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267450248 811315354 /nfs/dbraw/zinc/31/53/54/811315354.db2.gz LGINJAQJMYJLJM-LLVKDONJSA-N 1 2 298.412 0.041 20 30 CCEDLO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267450248 811315362 /nfs/dbraw/zinc/31/53/62/811315362.db2.gz LGINJAQJMYJLJM-LLVKDONJSA-N 1 2 298.412 0.041 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098598689 811494717 /nfs/dbraw/zinc/49/47/17/811494717.db2.gz JCVQKGBQCDHCRN-CQSZACIVSA-N 1 2 289.383 0.965 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604261 811529615 /nfs/dbraw/zinc/52/96/15/811529615.db2.gz OHGYFDGKTXCCSW-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077184698 815456762 /nfs/dbraw/zinc/45/67/62/815456762.db2.gz REGJBFPKYPIKJQ-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001267700478 811664822 /nfs/dbraw/zinc/66/48/22/811664822.db2.gz PKCOZEYYJLGYRT-IHRRRGAJSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001267700478 811664828 /nfs/dbraw/zinc/66/48/28/811664828.db2.gz PKCOZEYYJLGYRT-IHRRRGAJSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCN1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267701018 811666664 /nfs/dbraw/zinc/66/66/64/811666664.db2.gz LZGHUHWRIYVLAS-INIZCTEOSA-N 1 2 285.391 0.971 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)SC)C1 ZINC001267740747 811721705 /nfs/dbraw/zinc/72/17/05/811721705.db2.gz RZQWTDYXBNREMF-NWDGAFQWSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)SC)C1 ZINC001267740747 811721711 /nfs/dbraw/zinc/72/17/11/811721711.db2.gz RZQWTDYXBNREMF-NWDGAFQWSA-N 1 2 297.424 0.068 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825829 811734325 /nfs/dbraw/zinc/73/43/25/811734325.db2.gz OCKSZICEZYORNC-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001267810244 811807480 /nfs/dbraw/zinc/80/74/80/811807480.db2.gz ZQERUCHKZQVFAK-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(CC#N)[C@@H]2C1 ZINC001042310913 811844485 /nfs/dbraw/zinc/84/44/85/811844485.db2.gz ZRVCVIPPSPYJGO-TZMCWYRMSA-N 1 2 287.367 0.409 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC001105129108 811851148 /nfs/dbraw/zinc/85/11/48/811851148.db2.gz ORNXTGYSZJCATP-UHFFFAOYSA-N 1 2 273.340 0.184 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)/C=C(\C)CC)C2)nn1 ZINC001105235434 811869355 /nfs/dbraw/zinc/86/93/55/811869355.db2.gz FOAWXTCCWGKVNW-KPKJPENVSA-N 1 2 287.367 0.741 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001077349381 815484132 /nfs/dbraw/zinc/48/41/32/815484132.db2.gz ZLHTURGUMBGTIO-DGCLKSJQSA-N 1 2 295.770 0.477 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001077349381 815484136 /nfs/dbraw/zinc/48/41/36/815484136.db2.gz ZLHTURGUMBGTIO-DGCLKSJQSA-N 1 2 295.770 0.477 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001038376102 811946420 /nfs/dbraw/zinc/94/64/20/811946420.db2.gz RFXLDNSWHMDUNP-LLVKDONJSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001038376102 811946428 /nfs/dbraw/zinc/94/64/28/811946428.db2.gz RFXLDNSWHMDUNP-LLVKDONJSA-N 1 2 260.341 0.420 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccnc(C#N)c2)C[N@@H+]1C ZINC001222734530 811985557 /nfs/dbraw/zinc/98/55/57/811985557.db2.gz JIIIZOPVLWKVQR-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccnc(C#N)c2)C[N@H+]1C ZINC001222734530 811985563 /nfs/dbraw/zinc/98/55/63/811985563.db2.gz JIIIZOPVLWKVQR-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001077381898 815489113 /nfs/dbraw/zinc/48/91/13/815489113.db2.gz DFIWIGPNVXDQFR-CHWSQXEVSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001077381898 815489118 /nfs/dbraw/zinc/48/91/18/815489118.db2.gz DFIWIGPNVXDQFR-CHWSQXEVSA-N 1 2 273.336 0.107 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001268028590 812014818 /nfs/dbraw/zinc/01/48/18/812014818.db2.gz JKLGERBCMDDPCK-JSGCOSHPSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001268028590 812014828 /nfs/dbraw/zinc/01/48/28/812014828.db2.gz JKLGERBCMDDPCK-JSGCOSHPSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001268029063 812020517 /nfs/dbraw/zinc/02/05/17/812020517.db2.gz BYGJQZILCYRUDP-GXTWGEPZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001268029063 812020523 /nfs/dbraw/zinc/02/05/23/812020523.db2.gz BYGJQZILCYRUDP-GXTWGEPZSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@H](OC)C1 ZINC001212129248 815506433 /nfs/dbraw/zinc/50/64/33/815506433.db2.gz NCRPVJOIMNCVGT-IJLUTSLNSA-N 1 2 270.398 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@H](OC)C1 ZINC001212129248 815506438 /nfs/dbraw/zinc/50/64/38/815506438.db2.gz NCRPVJOIMNCVGT-IJLUTSLNSA-N 1 2 270.398 0.577 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027980985 812191822 /nfs/dbraw/zinc/19/18/22/812191822.db2.gz HTFAPSXRKZACJB-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141068 812307940 /nfs/dbraw/zinc/30/79/40/812307940.db2.gz FILRPKBKZNKQSY-MXWKQRLJSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141068 812307947 /nfs/dbraw/zinc/30/79/47/812307947.db2.gz FILRPKBKZNKQSY-MXWKQRLJSA-N 1 2 285.775 0.441 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001268183369 812350452 /nfs/dbraw/zinc/35/04/52/812350452.db2.gz YYZFDYNSFLAEKU-STQMWFEESA-N 1 2 275.356 0.623 20 30 CCEDLO C[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC001268241047 812406128 /nfs/dbraw/zinc/40/61/28/812406128.db2.gz URGPSXPNFFTFSE-GFCCVEGCSA-N 1 2 296.415 0.699 20 30 CCEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC001268241047 812406131 /nfs/dbraw/zinc/40/61/31/812406131.db2.gz URGPSXPNFFTFSE-GFCCVEGCSA-N 1 2 296.415 0.699 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)COCc2ccncc2)C1 ZINC001268463508 812606414 /nfs/dbraw/zinc/60/64/14/812606414.db2.gz OOLFLGADFNUJFQ-UHFFFAOYSA-N 1 2 275.352 0.975 20 30 CCEDLO C#CCCCC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001268533041 812777343 /nfs/dbraw/zinc/77/73/43/812777343.db2.gz MOIVWBYIVPRMMF-WAYWQWQTSA-N 1 2 262.313 0.635 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001077464750 812928803 /nfs/dbraw/zinc/92/88/03/812928803.db2.gz RIUAHXQMGWLZRD-HUUCEWRRSA-N 1 2 299.374 0.676 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001077464750 812928811 /nfs/dbraw/zinc/92/88/11/812928811.db2.gz RIUAHXQMGWLZRD-HUUCEWRRSA-N 1 2 299.374 0.676 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2(C3CC3)CC2)C1 ZINC001268844550 813111762 /nfs/dbraw/zinc/11/17/62/813111762.db2.gz UOAWXEGOEBPTPQ-UHFFFAOYSA-N 1 2 291.395 0.527 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001268964543 813160400 /nfs/dbraw/zinc/16/04/00/813160400.db2.gz CSEDEOFYKWTUFI-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001268964543 813160406 /nfs/dbraw/zinc/16/04/06/813160406.db2.gz CSEDEOFYKWTUFI-AVGNSLFASA-N 1 2 277.368 0.516 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001269067450 813202374 /nfs/dbraw/zinc/20/23/74/813202374.db2.gz YTEFZHCSPLDUKI-ZDUSSCGKSA-N 1 2 290.392 0.936 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC001269100993 813216753 /nfs/dbraw/zinc/21/67/53/813216753.db2.gz MESDLLSXYLLGPZ-CYBMUJFWSA-N 1 2 288.351 0.188 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC001269100993 813216759 /nfs/dbraw/zinc/21/67/59/813216759.db2.gz MESDLLSXYLLGPZ-CYBMUJFWSA-N 1 2 288.351 0.188 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001127045891 815602093 /nfs/dbraw/zinc/60/20/93/815602093.db2.gz JPQXROBMELJIGM-VHSXEESVSA-N 1 2 282.369 0.343 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001269204710 813262795 /nfs/dbraw/zinc/26/27/95/813262795.db2.gz DYWZSYLAOBRWMA-WCQYABFASA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001269204710 813262799 /nfs/dbraw/zinc/26/27/99/813262799.db2.gz DYWZSYLAOBRWMA-WCQYABFASA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001269754564 813491671 /nfs/dbraw/zinc/49/16/71/813491671.db2.gz ALZRPLYAKKEYML-UHFFFAOYSA-N 1 2 283.397 0.588 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038418032 813708058 /nfs/dbraw/zinc/70/80/58/813708058.db2.gz OUKWFPFHCFIEER-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001270506971 813789337 /nfs/dbraw/zinc/78/93/37/813789337.db2.gz FMOOHDYKJNLBCG-GFCCVEGCSA-N 1 2 281.356 0.301 20 30 CCEDLO COCCOC[N@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001270506971 813789342 /nfs/dbraw/zinc/78/93/42/813789342.db2.gz FMOOHDYKJNLBCG-GFCCVEGCSA-N 1 2 281.356 0.301 20 30 CCEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001270506972 813789506 /nfs/dbraw/zinc/78/95/06/813789506.db2.gz FMOOHDYKJNLBCG-LBPRGKRZSA-N 1 2 281.356 0.301 20 30 CCEDLO COCCOC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001270506972 813789512 /nfs/dbraw/zinc/78/95/12/813789512.db2.gz FMOOHDYKJNLBCG-LBPRGKRZSA-N 1 2 281.356 0.301 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001270638577 813866177 /nfs/dbraw/zinc/86/61/77/813866177.db2.gz OCHLRNRATHURBA-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001270638577 813866185 /nfs/dbraw/zinc/86/61/85/813866185.db2.gz OCHLRNRATHURBA-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)COc2cc(C)on2)C1 ZINC001270657644 813877465 /nfs/dbraw/zinc/87/74/65/813877465.db2.gz LHMRXQXVWAOQLQ-LBPRGKRZSA-N 1 2 295.339 0.365 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)COc2cc(C)on2)C1 ZINC001270657644 813877472 /nfs/dbraw/zinc/87/74/72/813877472.db2.gz LHMRXQXVWAOQLQ-LBPRGKRZSA-N 1 2 295.339 0.365 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001038433071 813980290 /nfs/dbraw/zinc/98/02/90/813980290.db2.gz ACIQCLAVFDJING-JTQLQIEISA-N 1 2 292.364 0.539 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001038433071 813980298 /nfs/dbraw/zinc/98/02/98/813980298.db2.gz ACIQCLAVFDJING-JTQLQIEISA-N 1 2 292.364 0.539 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@H](OC)C1 ZINC001211859545 813980444 /nfs/dbraw/zinc/98/04/44/813980444.db2.gz JVCZJXQGJANYCJ-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@H](OC)C1 ZINC001211859545 813980447 /nfs/dbraw/zinc/98/04/47/813980447.db2.gz JVCZJXQGJANYCJ-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029421687 814216822 /nfs/dbraw/zinc/21/68/22/814216822.db2.gz IKNUFKKJQYVGEZ-UTUOFQBUSA-N 1 2 279.384 0.748 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029421687 814216828 /nfs/dbraw/zinc/21/68/28/814216828.db2.gz IKNUFKKJQYVGEZ-UTUOFQBUSA-N 1 2 279.384 0.748 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC1(C)C ZINC001271997724 814672440 /nfs/dbraw/zinc/67/24/40/814672440.db2.gz DLWXJDVSPRNIHJ-GFCCVEGCSA-N 1 2 279.384 0.172 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC1(C)C ZINC001271997724 814672442 /nfs/dbraw/zinc/67/24/42/814672442.db2.gz DLWXJDVSPRNIHJ-GFCCVEGCSA-N 1 2 279.384 0.172 20 30 CCEDLO N#Cc1ccc(C(=O)NC2C[NH+](CCCF)C2)[nH]1 ZINC001030226064 815910569 /nfs/dbraw/zinc/91/05/69/815910569.db2.gz NIAZYXSBBZVQAR-UHFFFAOYSA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1cc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)c[nH]1 ZINC001030234940 815916203 /nfs/dbraw/zinc/91/62/03/815916203.db2.gz KPVXSQVKSPSYJG-AWEZNQCLSA-N 1 2 288.351 0.869 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030235340 815916390 /nfs/dbraw/zinc/91/63/90/815916390.db2.gz VMJXBOOSMYDAQU-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001030326272 815977586 /nfs/dbraw/zinc/97/75/86/815977586.db2.gz GMMZBYLNZIPWOH-ZYHUDNBSSA-N 1 2 265.357 0.278 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030331528 815978627 /nfs/dbraw/zinc/97/86/27/815978627.db2.gz IEDDWZRELPHFPE-RTXFEEFZSA-N 1 2 268.357 0.149 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001098981358 816045875 /nfs/dbraw/zinc/04/58/75/816045875.db2.gz BGMQDUKWVZEHAL-WDEREUQCSA-N 1 2 280.372 0.238 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001098981358 816045883 /nfs/dbraw/zinc/04/58/83/816045883.db2.gz BGMQDUKWVZEHAL-WDEREUQCSA-N 1 2 280.372 0.238 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001030488770 816060739 /nfs/dbraw/zinc/06/07/39/816060739.db2.gz PEWDQUXYXCDRGC-UHFFFAOYSA-N 1 2 296.321 0.894 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001030544055 816099816 /nfs/dbraw/zinc/09/98/16/816099816.db2.gz ADCLAWZFNXKGCR-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001030553300 816103920 /nfs/dbraw/zinc/10/39/20/816103920.db2.gz VMDFLOSHMPSBEN-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001030552723 816104501 /nfs/dbraw/zinc/10/45/01/816104501.db2.gz NRFRFYNFIZWUCJ-NSHDSACASA-N 1 2 294.786 0.998 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001030583844 816126034 /nfs/dbraw/zinc/12/60/34/816126034.db2.gz BJXDGJCJEHMTBQ-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001030588372 816128839 /nfs/dbraw/zinc/12/88/39/816128839.db2.gz SWAFIOPFKHCYJW-QWRGUYRKSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001030599404 816136452 /nfs/dbraw/zinc/13/64/52/816136452.db2.gz FQUYSEXMOCOCLP-UHFFFAOYSA-N 1 2 258.325 0.336 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001030651350 816184908 /nfs/dbraw/zinc/18/49/08/816184908.db2.gz YDFICQRDWRCYGK-UHFFFAOYSA-N 1 2 272.352 0.839 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001030766502 816276024 /nfs/dbraw/zinc/27/60/24/816276024.db2.gz YWWRXDKJVXUBBI-CQSZACIVSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001030768167 816277708 /nfs/dbraw/zinc/27/77/08/816277708.db2.gz HYUDAHINCDILTP-UHFFFAOYSA-N 1 2 284.319 0.969 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cncnc2)C1 ZINC001030838357 816332792 /nfs/dbraw/zinc/33/27/92/816332792.db2.gz SUNVEKRVLUEVPW-LLVKDONJSA-N 1 2 258.325 0.404 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001030848867 816343123 /nfs/dbraw/zinc/34/31/23/816343123.db2.gz JFIMJWHRABZZEL-NSHDSACASA-N 1 2 289.383 0.297 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272538599 816562566 /nfs/dbraw/zinc/56/25/66/816562566.db2.gz QYFSFUVIRAKYLK-CQSZACIVSA-N 1 2 258.325 0.610 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272538599 816562571 /nfs/dbraw/zinc/56/25/71/816562571.db2.gz QYFSFUVIRAKYLK-CQSZACIVSA-N 1 2 258.325 0.610 20 30 CCEDLO N#Cc1ccccc1CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031017088 816568365 /nfs/dbraw/zinc/56/83/65/816568365.db2.gz KUTWOIOYBWNTCP-UHFFFAOYSA-N 1 2 295.346 0.824 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001031039130 816596577 /nfs/dbraw/zinc/59/65/77/816596577.db2.gz XZMCFHJPLWAYQN-RYUDHWBXSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC001083712070 816601358 /nfs/dbraw/zinc/60/13/58/816601358.db2.gz KLORXUGDUKQXLN-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC001083712070 816601363 /nfs/dbraw/zinc/60/13/63/816601363.db2.gz KLORXUGDUKQXLN-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO C=CCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272618686 816866757 /nfs/dbraw/zinc/86/67/57/816866757.db2.gz MYYDRNRUZASGSS-UHFFFAOYSA-N 1 2 288.347 0.991 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001083735672 816876106 /nfs/dbraw/zinc/87/61/06/816876106.db2.gz OAABKWPRQGHTHX-OLZOCXBDSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001083735672 816876111 /nfs/dbraw/zinc/87/61/11/816876111.db2.gz OAABKWPRQGHTHX-OLZOCXBDSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001031246794 816882542 /nfs/dbraw/zinc/88/25/42/816882542.db2.gz SSHLUZQXBUKKQL-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001031311090 816957495 /nfs/dbraw/zinc/95/74/95/816957495.db2.gz KPXCZKLPQHYABU-LBPRGKRZSA-N 1 2 279.384 0.812 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001031348047 816993230 /nfs/dbraw/zinc/99/32/30/816993230.db2.gz WCAHPEIWWPCEKZ-HNNXBMFYSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC001031399814 817031341 /nfs/dbraw/zinc/03/13/41/817031341.db2.gz CBGNZZSICUEGFW-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001031405637 817035670 /nfs/dbraw/zinc/03/56/70/817035670.db2.gz HSMUKHXVANWJME-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212306564 817360638 /nfs/dbraw/zinc/36/06/38/817360638.db2.gz IXMIHKJEJUWBLQ-ZIAGYGMSSA-N 1 2 291.351 0.094 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212306564 817360647 /nfs/dbraw/zinc/36/06/47/817360647.db2.gz IXMIHKJEJUWBLQ-ZIAGYGMSSA-N 1 2 291.351 0.094 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001124631614 817528873 /nfs/dbraw/zinc/52/88/73/817528873.db2.gz MYGCIXXJTMCVTM-JTQLQIEISA-N 1 2 282.344 0.949 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccncc1C)C2 ZINC001272715950 817554315 /nfs/dbraw/zinc/55/43/15/817554315.db2.gz AURHYCDBTYTWJM-UHFFFAOYSA-N 1 2 287.363 0.989 20 30 CCEDLO C=CCn1cc(C(=O)NCC2C[NH+](CCF)C2)nn1 ZINC001032036328 817570123 /nfs/dbraw/zinc/57/01/23/817570123.db2.gz YZOZIRWHJLBBDX-UHFFFAOYSA-N 1 2 267.308 0.095 20 30 CCEDLO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3nnc[nH]3)C2)c1 ZINC001032060109 817589565 /nfs/dbraw/zinc/58/95/65/817589565.db2.gz IYOWWIBCIOWSPH-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ncn[nH]3)C2)c1 ZINC001032060109 817589574 /nfs/dbraw/zinc/58/95/74/817589574.db2.gz IYOWWIBCIOWSPH-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO CC(C)c1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124889922 817619292 /nfs/dbraw/zinc/61/92/92/817619292.db2.gz UVUBACKZMDJGJI-SECBINFHSA-N 1 2 265.317 0.558 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cn(C)cn3)C2)OCC1=O ZINC001272731795 817622141 /nfs/dbraw/zinc/62/21/41/817622141.db2.gz UJCOGGQYLBVSMW-OAHLLOKOSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cn(C)cn3)C2)OCC1=O ZINC001272731795 817622142 /nfs/dbraw/zinc/62/21/42/817622142.db2.gz UJCOGGQYLBVSMW-OAHLLOKOSA-N 1 2 290.367 0.409 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001032127190 817654771 /nfs/dbraw/zinc/65/47/71/817654771.db2.gz MBEVMKNXWMWJAK-LBPRGKRZSA-N 1 2 289.383 0.534 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001032127190 817654775 /nfs/dbraw/zinc/65/47/75/817654775.db2.gz MBEVMKNXWMWJAK-LBPRGKRZSA-N 1 2 289.383 0.534 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001032160494 817670597 /nfs/dbraw/zinc/67/05/97/817670597.db2.gz WOSNYDZBVISMNE-GFCCVEGCSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107080541 817718784 /nfs/dbraw/zinc/71/87/84/817718784.db2.gz PDXPXDGSLWUANE-XOULXFPDSA-N 1 2 299.338 0.607 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107080538 817718814 /nfs/dbraw/zinc/71/88/14/817718814.db2.gz PDXPXDGSLWUANE-FSIBCCDJSA-N 1 2 299.338 0.607 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCC)nn2)C1 ZINC001107118343 817770591 /nfs/dbraw/zinc/77/05/91/817770591.db2.gz PUSNFQRJRDURNT-UHFFFAOYSA-N 1 2 275.356 0.574 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107129384 817782051 /nfs/dbraw/zinc/78/20/51/817782051.db2.gz VGXRUOZXNGGTOG-NSHDSACASA-N 1 2 277.372 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)COC)nn2)C1 ZINC001107144127 817793325 /nfs/dbraw/zinc/79/33/25/817793325.db2.gz FJIYBKNTZHSOLA-LLVKDONJSA-N 1 2 293.371 0.220 20 30 CCEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001107239928 817817032 /nfs/dbraw/zinc/81/70/32/817817032.db2.gz BGQQFYZOCPFILJ-OWOJBTEDSA-N 1 2 296.334 0.934 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001077672133 817979176 /nfs/dbraw/zinc/97/91/76/817979176.db2.gz VXQYIJSVDVJDSB-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001077672133 817979183 /nfs/dbraw/zinc/97/91/83/817979183.db2.gz VXQYIJSVDVJDSB-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)CCC)C1 ZINC001107784648 818003262 /nfs/dbraw/zinc/00/32/62/818003262.db2.gz XPIYQMFUQDSMOA-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)CCC)C1 ZINC001107784648 818003269 /nfs/dbraw/zinc/00/32/69/818003269.db2.gz XPIYQMFUQDSMOA-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001107815053 818026166 /nfs/dbraw/zinc/02/61/66/818026166.db2.gz YYGYAKQRJYQFRO-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107811573 818028134 /nfs/dbraw/zinc/02/81/34/818028134.db2.gz NUCGTTSRISAXDH-TZMCWYRMSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107811573 818028141 /nfs/dbraw/zinc/02/81/41/818028141.db2.gz NUCGTTSRISAXDH-TZMCWYRMSA-N 1 2 270.373 0.662 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](O)C1 ZINC001083803465 818059041 /nfs/dbraw/zinc/05/90/41/818059041.db2.gz VWHIBDZDMPFYIP-OCCSQVGLSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](O)C1 ZINC001083803465 818059049 /nfs/dbraw/zinc/05/90/49/818059049.db2.gz VWHIBDZDMPFYIP-OCCSQVGLSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](O)C1 ZINC001083806869 818062113 /nfs/dbraw/zinc/06/21/13/818062113.db2.gz WXHBXTJBLFHPTD-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](O)C1 ZINC001083806869 818062119 /nfs/dbraw/zinc/06/21/19/818062119.db2.gz WXHBXTJBLFHPTD-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001043259029 818064439 /nfs/dbraw/zinc/06/44/39/818064439.db2.gz SGMJLTXQXMZMPU-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@@H](O)C1 ZINC001083808745 818067400 /nfs/dbraw/zinc/06/74/00/818067400.db2.gz RUSHUJFLNSODSL-XQLPTFJDSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@@H](O)C1 ZINC001083808745 818067405 /nfs/dbraw/zinc/06/74/05/818067405.db2.gz RUSHUJFLNSODSL-XQLPTFJDSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083817136 818214456 /nfs/dbraw/zinc/21/44/56/818214456.db2.gz MZUJMRFJSZPNOL-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083817136 818214463 /nfs/dbraw/zinc/21/44/63/818214463.db2.gz MZUJMRFJSZPNOL-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnsn1 ZINC001038088434 818228953 /nfs/dbraw/zinc/22/89/53/818228953.db2.gz NMMUMFUDEOGDFI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnsn1 ZINC001038088434 818228958 /nfs/dbraw/zinc/22/89/58/818228958.db2.gz NMMUMFUDEOGDFI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001117288370 818242479 /nfs/dbraw/zinc/24/24/79/818242479.db2.gz LKDNGDCBGWRMFG-MCIONIFRSA-N 1 2 297.399 0.692 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001032899382 818347427 /nfs/dbraw/zinc/34/74/27/818347427.db2.gz ILEKWWLVUUFVCI-SNVBAGLBSA-N 1 2 264.354 0.626 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001032899382 818347434 /nfs/dbraw/zinc/34/74/34/818347434.db2.gz ILEKWWLVUUFVCI-SNVBAGLBSA-N 1 2 264.354 0.626 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032963722 818391500 /nfs/dbraw/zinc/39/15/00/818391500.db2.gz CQLYPDBWBQKKLT-SNVBAGLBSA-N 1 2 295.774 0.958 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032963722 818391508 /nfs/dbraw/zinc/39/15/08/818391508.db2.gz CQLYPDBWBQKKLT-SNVBAGLBSA-N 1 2 295.774 0.958 20 30 CCEDLO C=CCN1CC2(C[NH+](CC3(C)COC3)C2)OCC1=O ZINC001273065309 818551587 /nfs/dbraw/zinc/55/15/87/818551587.db2.gz XXRRQFZSKYRIER-UHFFFAOYSA-N 1 2 266.341 0.122 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCN(CC#N)C2)c[nH+]1 ZINC001033193225 818638630 /nfs/dbraw/zinc/63/86/30/818638630.db2.gz SGGCOSHSWFHSRC-CYBMUJFWSA-N 1 2 289.383 0.983 20 30 CCEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCN(CC#N)C1 ZINC001033207313 818651416 /nfs/dbraw/zinc/65/14/16/818651416.db2.gz KOWKHVULDKFJJX-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CC)CC)[C@@H](n2ccnn2)C1 ZINC001128736737 818927939 /nfs/dbraw/zinc/92/79/39/818927939.db2.gz SEGMCQDJXXFTBK-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CC)CC)[C@@H](n2ccnn2)C1 ZINC001128736737 818927942 /nfs/dbraw/zinc/92/79/42/818927942.db2.gz SEGMCQDJXXFTBK-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCCN(CC#N)C1 ZINC001034503318 819223224 /nfs/dbraw/zinc/22/32/24/819223224.db2.gz NUTMXVQUGYLWDP-LBPRGKRZSA-N 1 2 275.356 0.755 20 30 CCEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136378 819281655 /nfs/dbraw/zinc/28/16/55/819281655.db2.gz UYLNOKBLBBNNLR-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C#N)o1 ZINC001034886848 819356404 /nfs/dbraw/zinc/35/64/04/819356404.db2.gz PBRLHFPCUHXHRJ-MWLCHTKSSA-N 1 2 277.328 0.618 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330769 819475481 /nfs/dbraw/zinc/47/54/81/819475481.db2.gz BWMNHUNOHDJQEN-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330769 819475485 /nfs/dbraw/zinc/47/54/85/819475485.db2.gz BWMNHUNOHDJQEN-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=C(Br)C[N@H+]1CCC(CO)(CO)C1 ZINC000694613948 819509908 /nfs/dbraw/zinc/50/99/08/819509908.db2.gz MMWRCCISDFMOOH-UHFFFAOYSA-N 1 2 250.136 0.572 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC(CO)(CO)C1 ZINC000694613948 819509914 /nfs/dbraw/zinc/50/99/14/819509914.db2.gz MMWRCCISDFMOOH-UHFFFAOYSA-N 1 2 250.136 0.572 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035469465 819538362 /nfs/dbraw/zinc/53/83/62/819538362.db2.gz ZDHPBZXZPYHCRR-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035469465 819538367 /nfs/dbraw/zinc/53/83/67/819538367.db2.gz ZDHPBZXZPYHCRR-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035504011 819542052 /nfs/dbraw/zinc/54/20/52/819542052.db2.gz NQUIGJIMZUKGOG-JTQLQIEISA-N 1 2 280.303 0.003 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035504011 819542054 /nfs/dbraw/zinc/54/20/54/819542054.db2.gz NQUIGJIMZUKGOG-JTQLQIEISA-N 1 2 280.303 0.003 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035518188 819542113 /nfs/dbraw/zinc/54/21/13/819542113.db2.gz DANVRCVRYBFVMN-SYQHCUMBSA-N 1 2 280.368 0.557 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035518188 819542116 /nfs/dbraw/zinc/54/21/16/819542116.db2.gz DANVRCVRYBFVMN-SYQHCUMBSA-N 1 2 280.368 0.557 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001035513628 819545773 /nfs/dbraw/zinc/54/57/73/819545773.db2.gz GPQHGOHXXGSBAH-MCIONIFRSA-N 1 2 280.368 0.581 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001035513628 819545779 /nfs/dbraw/zinc/54/57/79/819545779.db2.gz GPQHGOHXXGSBAH-MCIONIFRSA-N 1 2 280.368 0.581 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035782205 819623987 /nfs/dbraw/zinc/62/39/87/819623987.db2.gz JHDWBYGDMMUBFZ-OAHLLOKOSA-N 1 2 293.411 0.998 20 30 CCEDLO CCc1nnc(-n2[nH]c(=O)nc2C[NH3+])c(C#N)c1CC ZINC001168760400 819692327 /nfs/dbraw/zinc/69/23/27/819692327.db2.gz KDXYOUFETFLUEW-UHFFFAOYSA-N 1 2 273.300 0.218 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001036253508 819715478 /nfs/dbraw/zinc/71/54/78/819715478.db2.gz KYIVVZSIOKKIGQ-WCQYABFASA-N 1 2 275.356 0.313 20 30 CCEDLO N#Cc1ccc2cc(-n3[nH]c(=O)nc3C[NH3+])ccc2n1 ZINC001168760596 819731311 /nfs/dbraw/zinc/73/13/11/819731311.db2.gz BSFUKOIQBCSZAA-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108185628 820098469 /nfs/dbraw/zinc/09/84/69/820098469.db2.gz AZSLSJFQXYOOOG-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108185628 820098479 /nfs/dbraw/zinc/09/84/79/820098479.db2.gz AZSLSJFQXYOOOG-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990899 820496306 /nfs/dbraw/zinc/49/63/06/820496306.db2.gz OYCLURGYFAQOQK-JHJVBQTASA-N 1 2 287.367 0.406 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@H](OC)C1 ZINC001081401817 820756359 /nfs/dbraw/zinc/75/63/59/820756359.db2.gz IZOSQLORVYZTLM-NXEZZACHSA-N 1 2 282.369 0.543 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@H](OC)C1 ZINC001081401817 820756365 /nfs/dbraw/zinc/75/63/65/820756365.db2.gz IZOSQLORVYZTLM-NXEZZACHSA-N 1 2 282.369 0.543 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@H](OC)C1 ZINC001081532556 820785084 /nfs/dbraw/zinc/78/50/84/820785084.db2.gz VNAIWPSIIPUPTG-BFHYXJOUSA-N 1 2 275.352 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@H](OC)C1 ZINC001081532556 820785089 /nfs/dbraw/zinc/78/50/89/820785089.db2.gz VNAIWPSIIPUPTG-BFHYXJOUSA-N 1 2 275.352 0.498 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001081565522 820789565 /nfs/dbraw/zinc/78/95/65/820789565.db2.gz AAFBSJZOWPRABZ-MWLCHTKSSA-N 1 2 281.312 0.298 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001081565522 820789571 /nfs/dbraw/zinc/78/95/71/820789571.db2.gz AAFBSJZOWPRABZ-MWLCHTKSSA-N 1 2 281.312 0.298 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H](OC)C1 ZINC001081835685 820840995 /nfs/dbraw/zinc/84/09/95/820840995.db2.gz FVCJADGXOJSPHD-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H](OC)C1 ZINC001081835685 820841009 /nfs/dbraw/zinc/84/10/09/820841009.db2.gz FVCJADGXOJSPHD-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@H](OC)C1 ZINC001081969582 820872186 /nfs/dbraw/zinc/87/21/86/820872186.db2.gz YXDWHEQFLNJQKY-ZIAGYGMSSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@H](OC)C1 ZINC001081969582 820872194 /nfs/dbraw/zinc/87/21/94/820872194.db2.gz YXDWHEQFLNJQKY-ZIAGYGMSSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 ZINC001082024764 820875684 /nfs/dbraw/zinc/87/56/84/820875684.db2.gz MBXCQWMHXLZAIA-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 ZINC001082024764 820875693 /nfs/dbraw/zinc/87/56/93/820875693.db2.gz MBXCQWMHXLZAIA-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 ZINC001081999898 820877647 /nfs/dbraw/zinc/87/76/47/820877647.db2.gz IOIMUCUKRCVAOV-MWLCHTKSSA-N 1 2 251.286 0.290 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 ZINC001081999898 820877661 /nfs/dbraw/zinc/87/76/61/820877661.db2.gz IOIMUCUKRCVAOV-MWLCHTKSSA-N 1 2 251.286 0.290 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnsn3)[C@H]2C1 ZINC001083007532 821102008 /nfs/dbraw/zinc/10/20/08/821102008.db2.gz BQYSNAMTGAHTIE-WDEREUQCSA-N 1 2 280.353 0.249 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnsn3)[C@H]2C1 ZINC001083007532 821102010 /nfs/dbraw/zinc/10/20/10/821102010.db2.gz BQYSNAMTGAHTIE-WDEREUQCSA-N 1 2 280.353 0.249 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccon3)[C@H]2C1 ZINC001083030053 821116205 /nfs/dbraw/zinc/11/62/05/821116205.db2.gz TXPNOKHSIIFKSC-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccon3)[C@H]2C1 ZINC001083030053 821116209 /nfs/dbraw/zinc/11/62/09/821116209.db2.gz TXPNOKHSIIFKSC-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001083069312 821117482 /nfs/dbraw/zinc/11/74/82/821117482.db2.gz QXSSZFNGXHNLNF-UONOGXRCSA-N 1 2 287.363 0.872 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001083069312 821117487 /nfs/dbraw/zinc/11/74/87/821117487.db2.gz QXSSZFNGXHNLNF-UONOGXRCSA-N 1 2 287.363 0.872 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cnccc3C)[C@H]2C1 ZINC001083109247 821142368 /nfs/dbraw/zinc/14/23/68/821142368.db2.gz NWHJPVFGHGMENM-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnccc3C)[C@H]2C1 ZINC001083109247 821142373 /nfs/dbraw/zinc/14/23/73/821142373.db2.gz NWHJPVFGHGMENM-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](O)C1 ZINC001083992168 821169931 /nfs/dbraw/zinc/16/99/31/821169931.db2.gz LLLNOJNLCQGEIU-CABCVRRESA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](O)C1 ZINC001083992168 821169938 /nfs/dbraw/zinc/16/99/38/821169938.db2.gz LLLNOJNLCQGEIU-CABCVRRESA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](O)C1 ZINC001083992739 821171064 /nfs/dbraw/zinc/17/10/64/821171064.db2.gz GVWFRWKFRKNWLX-CABCVRRESA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](O)C1 ZINC001083992739 821171069 /nfs/dbraw/zinc/17/10/69/821171069.db2.gz GVWFRWKFRKNWLX-CABCVRRESA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@@H](O)C1 ZINC001083974187 821175456 /nfs/dbraw/zinc/17/54/56/821175456.db2.gz LUNUQFQNBSMKRQ-MNOVXSKESA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@@H](O)C1 ZINC001083974187 821175460 /nfs/dbraw/zinc/17/54/60/821175460.db2.gz LUNUQFQNBSMKRQ-MNOVXSKESA-N 1 2 279.727 0.143 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001084236310 821250238 /nfs/dbraw/zinc/25/02/38/821250238.db2.gz DMIWFMKFJZYFAL-OUCADQQQSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001084236310 821250248 /nfs/dbraw/zinc/25/02/48/821250248.db2.gz DMIWFMKFJZYFAL-OUCADQQQSA-N 1 2 287.367 0.612 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084635346 821332700 /nfs/dbraw/zinc/33/27/00/821332700.db2.gz WXAGODVIFLWRMZ-JMSVASOKSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084635346 821332708 /nfs/dbraw/zinc/33/27/08/821332708.db2.gz WXAGODVIFLWRMZ-JMSVASOKSA-N 1 2 279.384 0.607 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000820356424 821442244 /nfs/dbraw/zinc/44/22/44/821442244.db2.gz OSPLYLFASZEJFE-CYBMUJFWSA-N 1 2 290.367 0.445 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](COC)OC)C1 ZINC001108195898 821558259 /nfs/dbraw/zinc/55/82/59/821558259.db2.gz NHMHBPAAFNGQAF-JSGCOSHPSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](COC)OC)C1 ZINC001108195898 821558264 /nfs/dbraw/zinc/55/82/64/821558264.db2.gz NHMHBPAAFNGQAF-JSGCOSHPSA-N 1 2 286.372 0.041 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001085521597 821765526 /nfs/dbraw/zinc/76/55/26/821765526.db2.gz RCEGLWGTKHPCIO-ZDUSSCGKSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001085521597 821765529 /nfs/dbraw/zinc/76/55/29/821765529.db2.gz RCEGLWGTKHPCIO-ZDUSSCGKSA-N 1 2 260.341 0.683 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085650063 821880765 /nfs/dbraw/zinc/88/07/65/821880765.db2.gz GVHGJKHGJIJRBC-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085650063 821880776 /nfs/dbraw/zinc/88/07/76/821880776.db2.gz GVHGJKHGJIJRBC-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085665513 821886205 /nfs/dbraw/zinc/88/62/05/821886205.db2.gz JMFXZWPKMFNTKQ-LBPRGKRZSA-N 1 2 290.367 0.978 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085665513 821886215 /nfs/dbraw/zinc/88/62/15/821886215.db2.gz JMFXZWPKMFNTKQ-LBPRGKRZSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nnc(C)n2c1 ZINC001085685497 821899338 /nfs/dbraw/zinc/89/93/38/821899338.db2.gz SWQWFXQVKGNSLA-AWEZNQCLSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nnc(C)n2c1 ZINC001085685497 821899346 /nfs/dbraw/zinc/89/93/46/821899346.db2.gz SWQWFXQVKGNSLA-AWEZNQCLSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2cccnc2n1 ZINC001085696158 821905615 /nfs/dbraw/zinc/90/56/15/821905615.db2.gz BIMHEBNURZGTPW-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2cccnc2n1 ZINC001085696158 821905620 /nfs/dbraw/zinc/90/56/20/821905620.db2.gz BIMHEBNURZGTPW-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713135 821914867 /nfs/dbraw/zinc/91/48/67/821914867.db2.gz CEEOZCAJMYGSRI-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713135 821914871 /nfs/dbraw/zinc/91/48/71/821914871.db2.gz CEEOZCAJMYGSRI-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085811671 821965050 /nfs/dbraw/zinc/96/50/50/821965050.db2.gz KIEHQUGVRDZLHS-NSHDSACASA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085811671 821965062 /nfs/dbraw/zinc/96/50/62/821965062.db2.gz KIEHQUGVRDZLHS-NSHDSACASA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(N(C)C)c1 ZINC001085852880 821980353 /nfs/dbraw/zinc/98/03/53/821980353.db2.gz IOKKXVBFTHWHSD-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(N(C)C)c1 ZINC001085852880 821980358 /nfs/dbraw/zinc/98/03/58/821980358.db2.gz IOKKXVBFTHWHSD-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085948199 822032364 /nfs/dbraw/zinc/03/23/64/822032364.db2.gz DHONGMDZUUBQIK-NSHDSACASA-N 1 2 278.331 0.647 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085948199 822032366 /nfs/dbraw/zinc/03/23/66/822032366.db2.gz DHONGMDZUUBQIK-NSHDSACASA-N 1 2 278.331 0.647 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001108233364 822069500 /nfs/dbraw/zinc/06/95/00/822069500.db2.gz SHXISMMOMQZGBO-DZGCQCFKSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001108233364 822069510 /nfs/dbraw/zinc/06/95/10/822069510.db2.gz SHXISMMOMQZGBO-DZGCQCFKSA-N 1 2 297.399 0.294 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108307055 822345510 /nfs/dbraw/zinc/34/55/10/822345510.db2.gz UYKDKWZKDQKTBM-HOTGVXAUSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108307055 822345516 /nfs/dbraw/zinc/34/55/16/822345516.db2.gz UYKDKWZKDQKTBM-HOTGVXAUSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108307056 822345759 /nfs/dbraw/zinc/34/57/59/822345759.db2.gz UYKDKWZKDQKTBM-HZPDHXFCSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108307056 822345770 /nfs/dbraw/zinc/34/57/70/822345770.db2.gz UYKDKWZKDQKTBM-HZPDHXFCSA-N 1 2 294.395 0.643 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090474420 837417302 /nfs/dbraw/zinc/41/73/02/837417302.db2.gz CRHASHUNHOWLLH-VXGBXAGGSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 ZINC001090474420 837417308 /nfs/dbraw/zinc/41/73/08/837417308.db2.gz CRHASHUNHOWLLH-VXGBXAGGSA-N 1 2 298.774 0.636 20 30 CCEDLO CC(C)C[C@H](C(=O)NCCNCC#N)n1cc[nH+]c1 ZINC001130001513 837605284 /nfs/dbraw/zinc/60/52/84/837605284.db2.gz RAKQORFEXVZBHP-GFCCVEGCSA-N 1 2 263.345 0.700 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183936886 844115273 /nfs/dbraw/zinc/11/52/73/844115273.db2.gz WNQQXWVIXAJHDE-UHFFFAOYSA-N 1 2 277.324 0.832 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC001169129952 836145893 /nfs/dbraw/zinc/14/58/93/836145893.db2.gz PVUNAMQNQAEZAO-BDAKNGLRSA-N 1 2 291.267 0.177 20 30 CCEDLO CN(C)C(=O)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156319977 836279768 /nfs/dbraw/zinc/27/97/68/836279768.db2.gz KPVIEFLETJIUKI-NSHDSACASA-N 1 2 259.313 0.085 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(OCC#N)cn1 ZINC001169651875 836407770 /nfs/dbraw/zinc/40/77/70/836407770.db2.gz ASCDGHREKUTQST-LLVKDONJSA-N 1 2 262.313 0.726 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(OCC#N)cn1 ZINC001169651875 836407777 /nfs/dbraw/zinc/40/77/77/836407777.db2.gz ASCDGHREKUTQST-LLVKDONJSA-N 1 2 262.313 0.726 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)COCCC)CC2=O)C1 ZINC001108522731 836415764 /nfs/dbraw/zinc/41/57/64/836415764.db2.gz WVMPRWSMTZTJJZ-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C[C@@H](CO)[NH2+]c1cccc(=NN2C(=O)CCC2=O)[nH]1 ZINC001169781307 836443464 /nfs/dbraw/zinc/44/34/64/836443464.db2.gz QSAIWPZOTZGLTB-VIFPVBQESA-N 1 2 276.296 0.516 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108853524 836550121 /nfs/dbraw/zinc/55/01/21/836550121.db2.gz NNEWVMAYVHGABA-WOPDTQHZSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108853524 836550128 /nfs/dbraw/zinc/55/01/28/836550128.db2.gz NNEWVMAYVHGABA-WOPDTQHZSA-N 1 2 295.358 0.205 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108867302 836557050 /nfs/dbraw/zinc/55/70/50/836557050.db2.gz NVWXFFCXTFAXAD-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109057892 836610963 /nfs/dbraw/zinc/61/09/63/836610963.db2.gz QMEJGQNKHQLSPB-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102187 836615406 /nfs/dbraw/zinc/61/54/06/836615406.db2.gz NEPJCMUDLAJGQX-NEPJUHHUSA-N 1 2 290.367 0.764 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109169400 836625527 /nfs/dbraw/zinc/62/55/27/836625527.db2.gz JAEONNFJKCEWIR-AGIUHOORSA-N 1 2 277.368 0.387 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109169400 836625533 /nfs/dbraw/zinc/62/55/33/836625533.db2.gz JAEONNFJKCEWIR-AGIUHOORSA-N 1 2 277.368 0.387 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384584 836668667 /nfs/dbraw/zinc/66/86/67/836668667.db2.gz CPQPUQOULTVLPP-AGIUHOORSA-N 1 2 273.340 0.587 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384584 836668669 /nfs/dbraw/zinc/66/86/69/836668669.db2.gz CPQPUQOULTVLPP-AGIUHOORSA-N 1 2 273.340 0.587 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnco1)C2 ZINC001109575323 836697926 /nfs/dbraw/zinc/69/79/26/836697926.db2.gz VMCAUJFHTUBIGW-AGIUHOORSA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnco1)C2 ZINC001109575323 836697932 /nfs/dbraw/zinc/69/79/32/836697932.db2.gz VMCAUJFHTUBIGW-AGIUHOORSA-N 1 2 289.335 0.660 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109603114 836702353 /nfs/dbraw/zinc/70/23/53/836702353.db2.gz IFTDGQBQCVQNDJ-VOAKCMCISA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109603114 836702359 /nfs/dbraw/zinc/70/23/59/836702359.db2.gz IFTDGQBQCVQNDJ-VOAKCMCISA-N 1 2 297.374 0.758 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109736919 836722573 /nfs/dbraw/zinc/72/25/73/836722573.db2.gz LODXPQUFXDZHOM-AGIUHOORSA-N 1 2 275.356 0.645 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109736919 836722583 /nfs/dbraw/zinc/72/25/83/836722583.db2.gz LODXPQUFXDZHOM-AGIUHOORSA-N 1 2 275.356 0.645 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cn(C)cn2)CC1 ZINC001112766406 836899936 /nfs/dbraw/zinc/89/99/36/836899936.db2.gz WWIHPEGYODJJPO-UHFFFAOYSA-N 1 2 278.356 0.381 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1 ZINC001113161764 837040856 /nfs/dbraw/zinc/04/08/56/837040856.db2.gz JJPYKVAHEDIILP-KBPBESRZSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001113458146 837119268 /nfs/dbraw/zinc/11/92/68/837119268.db2.gz VBZSEAWPNOITBZ-OAHLLOKOSA-N 1 2 282.384 0.760 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)nn1 ZINC001113696381 837198231 /nfs/dbraw/zinc/19/82/31/837198231.db2.gz XYJBJDQIHJPZIL-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC001113718460 837204043 /nfs/dbraw/zinc/20/40/43/837204043.db2.gz GQYVFYATUQOSMJ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccncc1C#N ZINC001113898413 837359230 /nfs/dbraw/zinc/35/92/30/837359230.db2.gz UAZXOSLDWMEOPS-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131736451 838198115 /nfs/dbraw/zinc/19/81/15/838198115.db2.gz YKEOAJDGMMQSHL-WDEREUQCSA-N 1 2 274.311 0.870 20 30 CCEDLO COCC#CC[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131736451 838198120 /nfs/dbraw/zinc/19/81/20/838198120.db2.gz YKEOAJDGMMQSHL-WDEREUQCSA-N 1 2 274.311 0.870 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)CC[C@@H]1C ZINC001131955058 838276560 /nfs/dbraw/zinc/27/65/60/838276560.db2.gz HXPKKDRNRJLGSY-RYUDHWBXSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)CC[C@@H]1C ZINC001131955058 838276569 /nfs/dbraw/zinc/27/65/69/838276569.db2.gz HXPKKDRNRJLGSY-RYUDHWBXSA-N 1 2 275.356 0.340 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132016315 838299837 /nfs/dbraw/zinc/29/98/37/838299837.db2.gz GGUXFBQJOXKWSY-QWHCGFSZSA-N 1 2 279.384 0.361 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132016315 838299849 /nfs/dbraw/zinc/29/98/49/838299849.db2.gz GGUXFBQJOXKWSY-QWHCGFSZSA-N 1 2 279.384 0.361 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132401689 838385653 /nfs/dbraw/zinc/38/56/53/838385653.db2.gz CMRDRBDUKFCPIW-UHFFFAOYSA-N 1 2 252.318 0.796 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132573483 838440022 /nfs/dbraw/zinc/44/00/22/838440022.db2.gz OKKLDGXCZFMADG-VHSXEESVSA-N 1 2 252.318 0.734 20 30 CCEDLO N#Cc1cnccc1NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001110356887 844341225 /nfs/dbraw/zinc/34/12/25/844341225.db2.gz VCHVNQMXGXTWCR-UHFFFAOYSA-N 1 2 296.334 0.402 20 30 CCEDLO N#Cc1ccc(C[NH2+]CCNC(=O)c2[nH]ncc2F)cc1 ZINC001133481024 838641225 /nfs/dbraw/zinc/64/12/25/838641225.db2.gz LAVYCJIQPWQWPE-UHFFFAOYSA-N 1 2 287.298 0.940 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134014299 838826361 /nfs/dbraw/zinc/82/63/61/838826361.db2.gz QTWKMDUZHVFPMO-UHFFFAOYSA-N 1 2 257.725 0.196 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)NCC#N ZINC001136030807 839500184 /nfs/dbraw/zinc/50/01/84/839500184.db2.gz CDHNTKXJKWGQDZ-VHSXEESVSA-N 1 2 263.345 0.657 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090703472 839746272 /nfs/dbraw/zinc/74/62/72/839746272.db2.gz GVMWQEFRXZAZPX-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090703472 839746282 /nfs/dbraw/zinc/74/62/82/839746282.db2.gz GVMWQEFRXZAZPX-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001098343955 840956888 /nfs/dbraw/zinc/95/68/88/840956888.db2.gz DPFQLSUUEZIHPZ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccc(C#N)nn1 ZINC001098343955 840956904 /nfs/dbraw/zinc/95/69/04/840956904.db2.gz DPFQLSUUEZIHPZ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnco1)c1nccn12 ZINC001092385393 841010746 /nfs/dbraw/zinc/01/07/46/841010746.db2.gz SOTMDKZXQSWZNP-LLVKDONJSA-N 1 2 299.334 0.943 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccco2)CC1 ZINC001186884546 844610972 /nfs/dbraw/zinc/61/09/72/844610972.db2.gz DEYZJJPTRPABMC-UHFFFAOYSA-N 1 2 269.326 0.546 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001186969449 844628999 /nfs/dbraw/zinc/62/89/99/844628999.db2.gz GQDFTMHSBXXXCH-DGCLKSJQSA-N 1 2 289.339 0.313 20 30 CCEDLO Cc1nc(NCCNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001093587837 841354950 /nfs/dbraw/zinc/35/49/50/841354950.db2.gz NFVRVGAZYVZWNG-UHFFFAOYSA-N 1 2 270.296 0.827 20 30 CCEDLO C=CC(C)(C)C(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001094060756 841523189 /nfs/dbraw/zinc/52/31/89/841523189.db2.gz RYJQWBQSXVQSIN-UHFFFAOYSA-N 1 2 292.387 0.986 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001094220415 841559394 /nfs/dbraw/zinc/55/93/94/841559394.db2.gz YKJMJNQRVUMGEL-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001094220415 841559405 /nfs/dbraw/zinc/55/94/05/841559405.db2.gz YKJMJNQRVUMGEL-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001094224904 841571141 /nfs/dbraw/zinc/57/11/41/841571141.db2.gz HBKDYDHGMXYZSH-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001094224904 841571147 /nfs/dbraw/zinc/57/11/47/841571147.db2.gz HBKDYDHGMXYZSH-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C)nn2)C1 ZINC001094270881 841577550 /nfs/dbraw/zinc/57/75/50/841577550.db2.gz IZVCTQDCKVJDIR-SMDDNHRTSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ccc[nH]3)nn2)C1 ZINC001094275641 841580533 /nfs/dbraw/zinc/58/05/33/841580533.db2.gz KOXKEQXRAZTWRF-UHFFFAOYSA-N 1 2 298.350 0.416 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@H](N2CC[NH2+]C[C@H]2C#N)CC1=O ZINC001171705374 841750219 /nfs/dbraw/zinc/75/02/19/841750219.db2.gz VNBOIVAJNNBFAY-GHMZBOCLSA-N 1 2 294.355 0.320 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)C(=O)OC ZINC001172166868 841879539 /nfs/dbraw/zinc/87/95/39/841879539.db2.gz UUNZSZJKORNDGX-SRVKXCTJSA-N 1 2 264.325 0.294 20 30 CCEDLO CC(C)OC(=O)CC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001172755613 841968623 /nfs/dbraw/zinc/96/86/23/841968623.db2.gz RBEGKRPOPLKKEJ-NEPJUHHUSA-N 1 2 253.346 0.904 20 30 CCEDLO COc1cccc2c1C[C@H](N1CC[NH2+]C[C@@H]1C#N)CO2 ZINC001173155190 842010506 /nfs/dbraw/zinc/01/05/06/842010506.db2.gz SATRUXOJQZVAQA-RYUDHWBXSA-N 1 2 273.336 0.796 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586511 842114423 /nfs/dbraw/zinc/11/44/23/842114423.db2.gz NGOSHIVTILAJIS-NWJSVONSSA-N 1 2 294.351 0.963 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586511 842114429 /nfs/dbraw/zinc/11/44/29/842114429.db2.gz NGOSHIVTILAJIS-NWJSVONSSA-N 1 2 294.351 0.963 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001110206849 842574702 /nfs/dbraw/zinc/57/47/02/842574702.db2.gz HJLBANUNCYGSIO-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO CN(CC(=O)N1CCOC[C@H]1C#N)c1cccc[nH+]1 ZINC001177412916 842585669 /nfs/dbraw/zinc/58/56/69/842585669.db2.gz YDPYGEDUQHYKHX-LLVKDONJSA-N 1 2 260.297 0.269 20 30 CCEDLO O=C(NCC[NH2+]Cc1ccon1)C1N=CC=CC1=O ZINC001177810730 842685996 /nfs/dbraw/zinc/68/59/96/842685996.db2.gz PKWWPSCPAMKAJI-VAWYXSNFSA-N 1 2 262.269 0.291 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119547 842762516 /nfs/dbraw/zinc/76/25/16/842762516.db2.gz RWIJAUZTKSKHMA-IUCAKERBSA-N 1 2 283.353 0.033 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119211 842763045 /nfs/dbraw/zinc/76/30/45/842763045.db2.gz KXSPMKIAHHQIFF-GFCCVEGCSA-N 1 2 290.367 0.644 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(c3ncccn3)CC2)CC1 ZINC001178348136 842817987 /nfs/dbraw/zinc/81/79/87/842817987.db2.gz JABUWJNMSGYWMZ-UHFFFAOYSA-N 1 2 272.352 0.838 20 30 CCEDLO C[NH+]1CCN(CC(=O)NC2=CC(=O)CC(C)(C)C2)CC1 ZINC001178953160 842948332 /nfs/dbraw/zinc/94/83/32/842948332.db2.gz FOFLUUGOYWHXPA-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)C1 ZINC001179030053 842960736 /nfs/dbraw/zinc/96/07/36/842960736.db2.gz XZGIATZQUNGGRQ-LLVKDONJSA-N 1 2 277.324 0.966 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)C1 ZINC001179030053 842960744 /nfs/dbraw/zinc/96/07/44/842960744.db2.gz XZGIATZQUNGGRQ-LLVKDONJSA-N 1 2 277.324 0.966 20 30 CCEDLO C=CCSCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001180561139 843209453 /nfs/dbraw/zinc/20/94/53/843209453.db2.gz VMIOXTBYEFNSJC-SNVBAGLBSA-N 1 2 255.343 0.349 20 30 CCEDLO C=CCSCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001180561139 843209462 /nfs/dbraw/zinc/20/94/62/843209462.db2.gz VMIOXTBYEFNSJC-SNVBAGLBSA-N 1 2 255.343 0.349 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180583469 843217045 /nfs/dbraw/zinc/21/70/45/843217045.db2.gz ZGRQAQNUCOPNTN-SECBINFHSA-N 1 2 291.311 0.792 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180757673 843281041 /nfs/dbraw/zinc/28/10/41/843281041.db2.gz XTQJYFKQVPXXTB-LBPRGKRZSA-N 1 2 260.297 0.531 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180757673 843281049 /nfs/dbraw/zinc/28/10/49/843281049.db2.gz XTQJYFKQVPXXTB-LBPRGKRZSA-N 1 2 260.297 0.531 20 30 CCEDLO N#CCCN(CCC#N)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181253414 843429261 /nfs/dbraw/zinc/42/92/61/843429261.db2.gz BTFJISRDPTXZLL-UHFFFAOYSA-N 1 2 257.297 0.862 20 30 CCEDLO COc1ccc(C#CC(=O)N2CC[NH+](C)CC2)cc1 ZINC001182044774 843688245 /nfs/dbraw/zinc/68/82/45/843688245.db2.gz ITOSKHUKOGSMEL-UHFFFAOYSA-N 1 2 258.321 0.821 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc(SC)[nH]c2=O)CC1 ZINC001191427569 845649871 /nfs/dbraw/zinc/64/98/71/845649871.db2.gz KQYSPXSPYLMDOY-UHFFFAOYSA-N 1 2 294.380 0.848 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191907176 845751208 /nfs/dbraw/zinc/75/12/08/845751208.db2.gz NYRYCIDDOCAPCQ-BFHYXJOUSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191907176 845751219 /nfs/dbraw/zinc/75/12/19/845751219.db2.gz NYRYCIDDOCAPCQ-BFHYXJOUSA-N 1 2 282.384 0.234 20 30 CCEDLO Cc1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC001192296386 845818346 /nfs/dbraw/zinc/81/83/46/845818346.db2.gz HOSQGGJJMXNSIN-ZDUSSCGKSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001192296386 845818353 /nfs/dbraw/zinc/81/83/53/845818353.db2.gz HOSQGGJJMXNSIN-ZDUSSCGKSA-N 1 2 274.324 0.322 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192639811 845889650 /nfs/dbraw/zinc/88/96/50/845889650.db2.gz JDNZUVUVROODPM-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192639811 845889654 /nfs/dbraw/zinc/88/96/54/845889654.db2.gz JDNZUVUVROODPM-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)o1 ZINC001192692143 845893554 /nfs/dbraw/zinc/89/35/54/845893554.db2.gz SSQSFPSMGMEWJZ-SECBINFHSA-N 1 2 260.253 0.208 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)o1 ZINC001192692143 845893562 /nfs/dbraw/zinc/89/35/62/845893562.db2.gz SSQSFPSMGMEWJZ-SECBINFHSA-N 1 2 260.253 0.208 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001193002830 845953229 /nfs/dbraw/zinc/95/32/29/845953229.db2.gz OHTXCFIIZYHYFM-CYBMUJFWSA-N 1 2 297.355 0.843 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001193002830 845953236 /nfs/dbraw/zinc/95/32/36/845953236.db2.gz OHTXCFIIZYHYFM-CYBMUJFWSA-N 1 2 297.355 0.843 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)c2cnccc2C#N)[nH+]1 ZINC001192979611 845961582 /nfs/dbraw/zinc/96/15/82/845961582.db2.gz PKNUNYJWXJSSPU-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273663477 846147042 /nfs/dbraw/zinc/14/70/42/846147042.db2.gz ZDJZRALFBUJAEL-LBPRGKRZSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195254966 846486301 /nfs/dbraw/zinc/48/63/01/846486301.db2.gz LXPOERNNPCNNIG-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195254966 846486306 /nfs/dbraw/zinc/48/63/06/846486306.db2.gz LXPOERNNPCNNIG-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001195285911 846495895 /nfs/dbraw/zinc/49/58/95/846495895.db2.gz BXKQTFYXUKDDDF-CHWSQXEVSA-N 1 2 292.383 0.294 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001195645116 846591956 /nfs/dbraw/zinc/59/19/56/846591956.db2.gz JZPSHBOUCCPPHY-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001195645116 846591961 /nfs/dbraw/zinc/59/19/61/846591961.db2.gz JZPSHBOUCCPPHY-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195761561 846611718 /nfs/dbraw/zinc/61/17/18/846611718.db2.gz BRNPVNSOXMZZFJ-CHWSQXEVSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195761561 846611723 /nfs/dbraw/zinc/61/17/23/846611723.db2.gz BRNPVNSOXMZZFJ-CHWSQXEVSA-N 1 2 282.384 0.234 20 30 CCEDLO N#Cc1cccnc1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001196561481 846776659 /nfs/dbraw/zinc/77/66/59/846776659.db2.gz VGXUBLGJWPJJLY-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001197458709 846923502 /nfs/dbraw/zinc/92/35/02/846923502.db2.gz LPQQTWOMMKDUJG-LLVKDONJSA-N 1 2 294.355 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001197983817 847019613 /nfs/dbraw/zinc/01/96/13/847019613.db2.gz HLLJDXYNBYHHSR-RKDXNWHRSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001197983817 847019623 /nfs/dbraw/zinc/01/96/23/847019623.db2.gz HLLJDXYNBYHHSR-RKDXNWHRSA-N 1 2 278.274 0.369 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncn2CCF)CC1 ZINC001198031930 847032411 /nfs/dbraw/zinc/03/24/11/847032411.db2.gz JZESTEPANJAQQG-UHFFFAOYSA-N 1 2 266.320 0.796 20 30 CCEDLO C=CCC[N@H+]1CCCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001198265527 847069371 /nfs/dbraw/zinc/06/93/71/847069371.db2.gz CTDXXWPIZKEAEO-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C=CCC[N@@H+]1CCCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001198265527 847069384 /nfs/dbraw/zinc/06/93/84/847069384.db2.gz CTDXXWPIZKEAEO-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO N#Cc1csc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001198751361 847159864 /nfs/dbraw/zinc/15/98/64/847159864.db2.gz DBRAPEBRPKQBOD-UWVGGRQHSA-N 1 2 267.354 0.437 20 30 CCEDLO N#Cc1csc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001198751361 847159869 /nfs/dbraw/zinc/15/98/69/847159869.db2.gz DBRAPEBRPKQBOD-UWVGGRQHSA-N 1 2 267.354 0.437 20 30 CCEDLO N#Cc1csc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001198751364 847160383 /nfs/dbraw/zinc/16/03/83/847160383.db2.gz DBRAPEBRPKQBOD-VHSXEESVSA-N 1 2 267.354 0.437 20 30 CCEDLO N#Cc1csc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001198751364 847160386 /nfs/dbraw/zinc/16/03/86/847160386.db2.gz DBRAPEBRPKQBOD-VHSXEESVSA-N 1 2 267.354 0.437 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nnc(C)o1)CC2 ZINC001273792019 847465666 /nfs/dbraw/zinc/46/56/66/847465666.db2.gz GBEUMFLICOLIIH-LBPRGKRZSA-N 1 2 288.351 0.730 20 30 CCEDLO C=C[C@](C)(O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252582884 848021322 /nfs/dbraw/zinc/02/13/22/848021322.db2.gz YKBWWOLXRBWTKV-YPMHNXCESA-N 1 2 267.329 0.031 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2CCC#N)C1=O ZINC001274032351 848313356 /nfs/dbraw/zinc/31/33/56/848313356.db2.gz MHFPKRAQVWMASI-HNNXBMFYSA-N 1 2 287.367 0.901 20 30 CCEDLO N#CCCCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274043638 848317686 /nfs/dbraw/zinc/31/76/86/848317686.db2.gz RCXFPJVJLQYYIJ-UHFFFAOYSA-N 1 2 290.367 0.897 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274614905 848522874 /nfs/dbraw/zinc/52/28/74/848522874.db2.gz OABITVMARBYTBN-AWEZNQCLSA-N 1 2 293.367 0.140 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001274614328 848524112 /nfs/dbraw/zinc/52/41/12/848524112.db2.gz FFGDPWVZCIFMFR-HNNXBMFYSA-N 1 2 294.395 0.779 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275605951 848774137 /nfs/dbraw/zinc/77/41/37/848774137.db2.gz SIWPPUCPVPLLHF-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275605951 848774143 /nfs/dbraw/zinc/77/41/43/848774143.db2.gz SIWPPUCPVPLLHF-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275605951 848774146 /nfs/dbraw/zinc/77/41/46/848774146.db2.gz SIWPPUCPVPLLHF-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275605951 848774151 /nfs/dbraw/zinc/77/41/51/848774151.db2.gz SIWPPUCPVPLLHF-KBPBESRZSA-N 1 2 258.325 0.468 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CCOC(C)C)C1 ZINC001276027908 848895798 /nfs/dbraw/zinc/89/57/98/848895798.db2.gz MLXUYLXYFLMDSW-UHFFFAOYSA-N 1 2 284.400 0.931 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001095644662 849003763 /nfs/dbraw/zinc/00/37/63/849003763.db2.gz GNMWKLPNEGLGIT-CRWXNKLISA-N 1 2 299.378 0.691 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000687624672 849131746 /nfs/dbraw/zinc/13/17/46/849131746.db2.gz SVGSQSYAGZOBKS-QWKFWESOSA-N 1 2 251.330 0.061 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000687624672 849131752 /nfs/dbraw/zinc/13/17/52/849131752.db2.gz SVGSQSYAGZOBKS-QWKFWESOSA-N 1 2 251.330 0.061 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038256815 849831405 /nfs/dbraw/zinc/83/14/05/849831405.db2.gz IVBMUNXNEMFKKR-LBPRGKRZSA-N 1 2 273.340 0.440 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038256815 849831413 /nfs/dbraw/zinc/83/14/13/849831413.db2.gz IVBMUNXNEMFKKR-LBPRGKRZSA-N 1 2 273.340 0.440 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038305448 849846421 /nfs/dbraw/zinc/84/64/21/849846421.db2.gz IMQJNSNHUHSISI-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038305448 849846424 /nfs/dbraw/zinc/84/64/24/849846424.db2.gz IMQJNSNHUHSISI-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038340556 849857612 /nfs/dbraw/zinc/85/76/12/849857612.db2.gz HTXTYKOJSQPCEL-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038340556 849857621 /nfs/dbraw/zinc/85/76/21/849857621.db2.gz HTXTYKOJSQPCEL-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(C)cc1=O ZINC001038370718 849867408 /nfs/dbraw/zinc/86/74/08/849867408.db2.gz FTGPENRDAGTWSV-LBPRGKRZSA-N 1 2 275.352 0.684 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)c(C)cc1=O ZINC001038370718 849867410 /nfs/dbraw/zinc/86/74/10/849867410.db2.gz FTGPENRDAGTWSV-LBPRGKRZSA-N 1 2 275.352 0.684 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038383468 849873638 /nfs/dbraw/zinc/87/36/38/849873638.db2.gz SQWFTQOVXUOABJ-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038383468 849873649 /nfs/dbraw/zinc/87/36/49/849873649.db2.gz SQWFTQOVXUOABJ-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038424270 849889993 /nfs/dbraw/zinc/88/99/93/849889993.db2.gz MGRGJKDGTIAYSE-OCCSQVGLSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038424270 849889996 /nfs/dbraw/zinc/88/99/96/849889996.db2.gz MGRGJKDGTIAYSE-OCCSQVGLSA-N 1 2 272.352 0.269 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423881 849890050 /nfs/dbraw/zinc/89/00/50/849890050.db2.gz GWVFTBYVFPRUNU-DGCLKSJQSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439885 849899412 /nfs/dbraw/zinc/89/94/12/849899412.db2.gz UQFMJCUNKIJMBG-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439885 849899421 /nfs/dbraw/zinc/89/94/21/849899421.db2.gz UQFMJCUNKIJMBG-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038528584 849932461 /nfs/dbraw/zinc/93/24/61/849932461.db2.gz FOKVXDXOHNINCL-XDQVBPFNSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038528584 849932467 /nfs/dbraw/zinc/93/24/67/849932467.db2.gz FOKVXDXOHNINCL-XDQVBPFNSA-N 1 2 262.353 0.625 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](CC)C(N)=O)cc1 ZINC001038581934 849949527 /nfs/dbraw/zinc/94/95/27/849949527.db2.gz MWWZRZDWDXFGEW-GJZGRUSLSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](CC)C(N)=O)cc1 ZINC001038581934 849949532 /nfs/dbraw/zinc/94/95/32/849949532.db2.gz MWWZRZDWDXFGEW-GJZGRUSLSA-N 1 2 299.374 0.736 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637154 849969088 /nfs/dbraw/zinc/96/90/88/849969088.db2.gz FKTQQXCVEJOKRI-KBPBESRZSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637154 849969090 /nfs/dbraw/zinc/96/90/90/849969090.db2.gz FKTQQXCVEJOKRI-KBPBESRZSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001038691412 849984091 /nfs/dbraw/zinc/98/40/91/849984091.db2.gz FYDNJTVHZRPPFF-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001038691412 849984096 /nfs/dbraw/zinc/98/40/96/849984096.db2.gz FYDNJTVHZRPPFF-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038810118 850024217 /nfs/dbraw/zinc/02/42/17/850024217.db2.gz DOWXGKYUCWVACG-LBPRGKRZSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038810118 850024221 /nfs/dbraw/zinc/02/42/21/850024221.db2.gz DOWXGKYUCWVACG-LBPRGKRZSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001038829178 850035242 /nfs/dbraw/zinc/03/52/42/850035242.db2.gz IPQLFBTWJFPYGC-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001038829178 850035257 /nfs/dbraw/zinc/03/52/57/850035257.db2.gz IPQLFBTWJFPYGC-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)cn1 ZINC001038939609 850094724 /nfs/dbraw/zinc/09/47/24/850094724.db2.gz SLTMRJPTERZCGA-CYBMUJFWSA-N 1 2 253.305 0.500 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)cn1 ZINC001038939609 850094728 /nfs/dbraw/zinc/09/47/28/850094728.db2.gz SLTMRJPTERZCGA-CYBMUJFWSA-N 1 2 253.305 0.500 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038970566 850106048 /nfs/dbraw/zinc/10/60/48/850106048.db2.gz ZLUAAKLZELXQGL-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038970566 850106050 /nfs/dbraw/zinc/10/60/50/850106050.db2.gz ZLUAAKLZELXQGL-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038977086 850108127 /nfs/dbraw/zinc/10/81/27/850108127.db2.gz NSNADVRTSSLUEX-LBPRGKRZSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038977086 850108131 /nfs/dbraw/zinc/10/81/31/850108131.db2.gz NSNADVRTSSLUEX-LBPRGKRZSA-N 1 2 270.336 0.791 20 30 CCEDLO N#CCN1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001040954006 850332616 /nfs/dbraw/zinc/33/26/16/850332616.db2.gz LRZSXGVGKJWIHF-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnns3)C[C@@H]21 ZINC001041959488 850542544 /nfs/dbraw/zinc/54/25/44/850542544.db2.gz ZYARKFIZHVVRMT-MNOVXSKESA-N 1 2 276.365 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnns3)C[C@@H]21 ZINC001041959488 850542558 /nfs/dbraw/zinc/54/25/58/850542558.db2.gz ZYARKFIZHVVRMT-MNOVXSKESA-N 1 2 276.365 0.708 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(CC#N)[C@@H]2C1 ZINC001042310910 850612489 /nfs/dbraw/zinc/61/24/89/850612489.db2.gz ZRVCVIPPSPYJGO-GXTWGEPZSA-N 1 2 287.367 0.409 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nn2)C1 ZINC001042707679 850739846 /nfs/dbraw/zinc/73/98/46/850739846.db2.gz RYHCCOYMTZKWBM-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001042841985 850768631 /nfs/dbraw/zinc/76/86/31/850768631.db2.gz QTPNBQAVCIGJAR-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001042915455 850780703 /nfs/dbraw/zinc/78/07/03/850780703.db2.gz NSLVQIOFKBPXSY-UHFFFAOYSA-N 1 2 275.356 0.484 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001043456261 850876847 /nfs/dbraw/zinc/87/68/47/850876847.db2.gz ZUERFMJORCNBLO-OAHLLOKOSA-N 1 2 295.427 0.816 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001043456261 850876856 /nfs/dbraw/zinc/87/68/56/850876856.db2.gz ZUERFMJORCNBLO-OAHLLOKOSA-N 1 2 295.427 0.816 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC001044002521 850982008 /nfs/dbraw/zinc/98/20/08/850982008.db2.gz CPUHPYKOPLWQNJ-UHFFFAOYSA-N 1 2 260.341 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001044155355 851025755 /nfs/dbraw/zinc/02/57/55/851025755.db2.gz TYHABAPORAPBKF-INIZCTEOSA-N 1 2 293.411 0.964 20 30 CCEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CN(CC#N)C1 ZINC001044177258 851032654 /nfs/dbraw/zinc/03/26/54/851032654.db2.gz JENWJBWEVQVWDM-UHFFFAOYSA-N 1 2 296.334 0.547 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001044289791 851061830 /nfs/dbraw/zinc/06/18/30/851061830.db2.gz BVGPCNBHBFBSKW-UHFFFAOYSA-N 1 2 290.367 0.670 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnon1 ZINC001045735058 851305018 /nfs/dbraw/zinc/30/50/18/851305018.db2.gz KPFKITZWSFMYSV-UHTWSYAYSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnon1 ZINC001045735058 851305030 /nfs/dbraw/zinc/30/50/30/851305030.db2.gz KPFKITZWSFMYSV-UHTWSYAYSA-N 1 2 289.339 0.795 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]ncc2F)C1 ZINC001046600615 851563205 /nfs/dbraw/zinc/56/32/05/851563205.db2.gz QVARTVLGGBSURR-GFCCVEGCSA-N 1 2 252.293 0.929 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]ncc2F)C1 ZINC001046600615 851563209 /nfs/dbraw/zinc/56/32/09/851563209.db2.gz QVARTVLGGBSURR-GFCCVEGCSA-N 1 2 252.293 0.929 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698426 851585581 /nfs/dbraw/zinc/58/55/81/851585581.db2.gz FHVNZVJSMMAXLX-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698426 851585592 /nfs/dbraw/zinc/58/55/92/851585592.db2.gz FHVNZVJSMMAXLX-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001047434210 851765231 /nfs/dbraw/zinc/76/52/31/851765231.db2.gz RFEZNIXLPJUJKT-RYUDHWBXSA-N 1 2 268.332 0.405 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001047434210 851765232 /nfs/dbraw/zinc/76/52/32/851765232.db2.gz RFEZNIXLPJUJKT-RYUDHWBXSA-N 1 2 268.332 0.405 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001047479646 851780977 /nfs/dbraw/zinc/78/09/77/851780977.db2.gz WELWOTXSRREASP-KBPBESRZSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001047479646 851780980 /nfs/dbraw/zinc/78/09/80/851780980.db2.gz WELWOTXSRREASP-KBPBESRZSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001047554881 851815059 /nfs/dbraw/zinc/81/50/59/851815059.db2.gz OGKIQTUPJQENAN-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001047554881 851815067 /nfs/dbraw/zinc/81/50/67/851815067.db2.gz OGKIQTUPJQENAN-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001047573620 851820162 /nfs/dbraw/zinc/82/01/62/851820162.db2.gz RVSOQHZXBDFNIR-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001047573620 851820166 /nfs/dbraw/zinc/82/01/66/851820166.db2.gz RVSOQHZXBDFNIR-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001047641292 851844911 /nfs/dbraw/zinc/84/49/11/851844911.db2.gz VTQHDDCHSFFPKJ-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001047641292 851844917 /nfs/dbraw/zinc/84/49/17/851844917.db2.gz VTQHDDCHSFFPKJ-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@H]2C1 ZINC001049051545 852149456 /nfs/dbraw/zinc/14/94/56/852149456.db2.gz SCGDONOLPDZQKV-AOOOYVTPSA-N 1 2 294.305 0.984 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@H]2C1 ZINC001049051545 852149460 /nfs/dbraw/zinc/14/94/60/852149460.db2.gz SCGDONOLPDZQKV-AOOOYVTPSA-N 1 2 294.305 0.984 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001049807692 852377976 /nfs/dbraw/zinc/37/79/76/852377976.db2.gz UHKOHBRFYAMEOS-VXGBXAGGSA-N 1 2 273.340 0.541 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1)CCO2 ZINC001053152884 852695843 /nfs/dbraw/zinc/69/58/43/852695843.db2.gz JJRHJJPNHFCSII-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001053253344 852720593 /nfs/dbraw/zinc/72/05/93/852720593.db2.gz GTKRUCNLIAFWSR-VXGBXAGGSA-N 1 2 295.339 0.141 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CO[C@@H](C)C1)CCO2 ZINC001053316693 852728266 /nfs/dbraw/zinc/72/82/66/852728266.db2.gz UAEXICMRLFQFPW-UONOGXRCSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CO[C@H](C)C1)CCO2 ZINC001053316692 852728472 /nfs/dbraw/zinc/72/84/72/852728472.db2.gz UAEXICMRLFQFPW-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnc[nH]1)O2 ZINC001053681164 852775402 /nfs/dbraw/zinc/77/54/02/852775402.db2.gz FSUYKDJVBBGZEU-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncn[nH]1)O2 ZINC001053681164 852775409 /nfs/dbraw/zinc/77/54/09/852775409.db2.gz FSUYKDJVBBGZEU-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc[nH]n1)O2 ZINC001053681164 852775416 /nfs/dbraw/zinc/77/54/16/852775416.db2.gz FSUYKDJVBBGZEU-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)C)CO2 ZINC001053745517 852798781 /nfs/dbraw/zinc/79/87/81/852798781.db2.gz LICFGBKSAGLBFW-GFCCVEGCSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cocn1)CO2 ZINC001053759873 852807875 /nfs/dbraw/zinc/80/78/75/852807875.db2.gz PTNQTANVWUMWNL-NSHDSACASA-N 1 2 275.308 0.271 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c[nH]1)CO2 ZINC001053950953 852852682 /nfs/dbraw/zinc/85/26/82/852852682.db2.gz MGEDFYRIKOJLOR-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1oncc1C)CO2 ZINC001053972421 852860986 /nfs/dbraw/zinc/86/09/86/852860986.db2.gz DYAFLWNJTQAIDM-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nocc1C)CO2 ZINC001053975757 852863352 /nfs/dbraw/zinc/86/33/52/852863352.db2.gz NHYRHZCSONFXOD-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)nc1 ZINC001053985703 852864987 /nfs/dbraw/zinc/86/49/87/852864987.db2.gz XESKXQZHJUWFGQ-ZDUSSCGKSA-N 1 2 285.347 0.656 20 30 CCEDLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050880106 853472492 /nfs/dbraw/zinc/47/24/92/853472492.db2.gz MNWOGWHHKJKCRH-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050880106 853472505 /nfs/dbraw/zinc/47/25/05/853472505.db2.gz MNWOGWHHKJKCRH-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001051024790 853508462 /nfs/dbraw/zinc/50/84/62/853508462.db2.gz FADGRQRTLBNTOH-LBPRGKRZSA-N 1 2 299.334 0.288 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001051125204 853528744 /nfs/dbraw/zinc/52/87/44/853528744.db2.gz ZEDCOKCDVYNKRI-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001051125204 853528753 /nfs/dbraw/zinc/52/87/53/853528753.db2.gz ZEDCOKCDVYNKRI-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)cn1 ZINC001051211293 853547199 /nfs/dbraw/zinc/54/71/99/853547199.db2.gz BWQTWYJKUMMTKV-INIZCTEOSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)cn1 ZINC001051211293 853547208 /nfs/dbraw/zinc/54/72/08/853547208.db2.gz BWQTWYJKUMMTKV-INIZCTEOSA-N 1 2 299.374 0.904 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001051495188 853596553 /nfs/dbraw/zinc/59/65/53/853596553.db2.gz RYBNDVXQMPHGFA-ONGXEEELSA-N 1 2 295.368 0.015 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052008977 853676195 /nfs/dbraw/zinc/67/61/95/853676195.db2.gz KFHWWUSTSDKAAA-JVDKPVQESA-N 1 2 275.396 0.804 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067825 853681040 /nfs/dbraw/zinc/68/10/40/853681040.db2.gz OYDWMNVTSDMSFY-UONOGXRCSA-N 1 2 296.390 0.723 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857593 853985825 /nfs/dbraw/zinc/98/58/25/853985825.db2.gz AUCVGTJUIHLRIA-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857593 853985829 /nfs/dbraw/zinc/98/58/29/853985829.db2.gz AUCVGTJUIHLRIA-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070039516 854019673 /nfs/dbraw/zinc/01/96/73/854019673.db2.gz IWPHQWSDEPTOLE-MJBXVCDLSA-N 1 2 299.378 0.443 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070039516 854019678 /nfs/dbraw/zinc/01/96/78/854019678.db2.gz IWPHQWSDEPTOLE-MJBXVCDLSA-N 1 2 299.378 0.443 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NCC#N ZINC001070613753 854081696 /nfs/dbraw/zinc/08/16/96/854081696.db2.gz VZEOYHOFSZFFLY-CHWSQXEVSA-N 1 2 287.367 0.628 20 30 CCEDLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 ZINC001071258519 854144691 /nfs/dbraw/zinc/14/46/91/854144691.db2.gz JPECEBMAYGEOHD-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 ZINC001071258519 854144697 /nfs/dbraw/zinc/14/46/97/854144697.db2.gz JPECEBMAYGEOHD-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071497162 854221534 /nfs/dbraw/zinc/22/15/34/854221534.db2.gz CYCHKADUXZEUMG-ZYHUDNBSSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071497162 854221541 /nfs/dbraw/zinc/22/15/41/854221541.db2.gz CYCHKADUXZEUMG-ZYHUDNBSSA-N 1 2 275.356 0.258 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001071533422 854232563 /nfs/dbraw/zinc/23/25/63/854232563.db2.gz GWUINPVXOWEMHP-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001071533422 854232565 /nfs/dbraw/zinc/23/25/65/854232565.db2.gz GWUINPVXOWEMHP-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071731424 854273845 /nfs/dbraw/zinc/27/38/45/854273845.db2.gz DGQSYDCUYGGFIH-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071731424 854273850 /nfs/dbraw/zinc/27/38/50/854273850.db2.gz DGQSYDCUYGGFIH-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1CC#N ZINC001071934634 854320942 /nfs/dbraw/zinc/32/09/42/854320942.db2.gz POYDAGYYECPNSH-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 ZINC001072027397 854337061 /nfs/dbraw/zinc/33/70/61/854337061.db2.gz YJSDSZSVJBBVBP-PWSUYJOCSA-N 1 2 275.356 0.753 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001072799933 854463843 /nfs/dbraw/zinc/46/38/43/854463843.db2.gz ZVABZOVRIAESEZ-YPMHNXCESA-N 1 2 290.367 0.882 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870257 854484113 /nfs/dbraw/zinc/48/41/13/854484113.db2.gz CJZHHXQJZOJFGB-ZDUSSCGKSA-N 1 2 299.378 0.503 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229941 854700811 /nfs/dbraw/zinc/70/08/11/854700811.db2.gz PYLYAXMOZCYNFC-UONOGXRCSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229941 854700815 /nfs/dbraw/zinc/70/08/15/854700815.db2.gz PYLYAXMOZCYNFC-UONOGXRCSA-N 1 2 294.395 0.472 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)cn1 ZINC001074384210 854723363 /nfs/dbraw/zinc/72/33/63/854723363.db2.gz CQRZOUMNNZENMN-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)cn1 ZINC001074384210 854723365 /nfs/dbraw/zinc/72/33/65/854723365.db2.gz CQRZOUMNNZENMN-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC#C)nn2)C1 ZINC001098667367 854874936 /nfs/dbraw/zinc/87/49/36/854874936.db2.gz YELMNVCDLVCHSP-HNNXBMFYSA-N 1 2 299.378 0.578 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001099405998 854932931 /nfs/dbraw/zinc/93/29/31/854932931.db2.gz VNFIDUVCGDKQRA-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001100042834 855081179 /nfs/dbraw/zinc/08/11/79/855081179.db2.gz PPWJVLFWKQCGNH-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO Cc1ccc(C#N)c(N(C)CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001100354384 855154524 /nfs/dbraw/zinc/15/45/24/855154524.db2.gz ZOWQUEIYBTUIDK-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001100380458 855158659 /nfs/dbraw/zinc/15/86/59/855158659.db2.gz MYLXQMZUVHJVRU-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)cn1 ZINC001100380458 855158665 /nfs/dbraw/zinc/15/86/65/855158665.db2.gz MYLXQMZUVHJVRU-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)c1nccn12 ZINC001101617126 855326336 /nfs/dbraw/zinc/32/63/36/855326336.db2.gz KSQMCXWYYNRSRV-VXGBXAGGSA-N 1 2 285.351 0.801 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001101672723 855340123 /nfs/dbraw/zinc/34/01/23/855340123.db2.gz BISJWCQCRMRUIM-UHFFFAOYSA-N 1 2 285.311 0.115 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC001101822561 855374063 /nfs/dbraw/zinc/37/40/63/855374063.db2.gz TVKFOBNRMKHHGJ-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001101822561 855374067 /nfs/dbraw/zinc/37/40/67/855374067.db2.gz TVKFOBNRMKHHGJ-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021372 855408188 /nfs/dbraw/zinc/40/81/88/855408188.db2.gz KFCVFQHYMLKDJJ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021372 855408191 /nfs/dbraw/zinc/40/81/91/855408191.db2.gz KFCVFQHYMLKDJJ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccncc1C#N ZINC001104052824 855562854 /nfs/dbraw/zinc/56/28/54/855562854.db2.gz KWMRYDPDYVRROQ-NSHDSACASA-N 1 2 298.350 0.505 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111667151 855586878 /nfs/dbraw/zinc/58/68/78/855586878.db2.gz VWHRYXNQRNYJCI-SUNKGSAMSA-N 1 2 289.339 0.700 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111667151 855586884 /nfs/dbraw/zinc/58/68/84/855586884.db2.gz VWHRYXNQRNYJCI-SUNKGSAMSA-N 1 2 289.339 0.700 20 30 CCEDLO C[C@H](C(=O)NC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001116005702 855710221 /nfs/dbraw/zinc/71/02/21/855710221.db2.gz NWUKUZLPJGUJAC-LLVKDONJSA-N 1 2 261.329 0.548 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nncn1C ZINC001116616476 855798701 /nfs/dbraw/zinc/79/87/01/855798701.db2.gz LODZYNCMDAWFJD-NOZJJQNGSA-N 1 2 276.344 0.274 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001116941951 855872868 /nfs/dbraw/zinc/87/28/68/855872868.db2.gz AUOIUWZMHFMCSG-UHFFFAOYSA-N 1 2 260.341 0.680 20 30 CCEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001118635432 856374784 /nfs/dbraw/zinc/37/47/84/856374784.db2.gz VBLWLRVCZVWVAR-JTQLQIEISA-N 1 2 283.353 0.154 20 30 CCEDLO N#CCCN1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC001119312572 856627780 /nfs/dbraw/zinc/62/77/80/856627780.db2.gz JURSMHYHGHDRKD-ZDUSSCGKSA-N 1 2 262.357 0.281 20 30 CCEDLO C=CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)C(=O)OC ZINC001119559341 856738284 /nfs/dbraw/zinc/73/82/84/856738284.db2.gz IJVACIFGDVENPO-SNVBAGLBSA-N 1 2 261.343 0.128 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCC1(NCC#N)CCCCC1 ZINC001120009851 856961621 /nfs/dbraw/zinc/96/16/21/856961621.db2.gz GFMNNWSBZFDXOW-UHFFFAOYSA-N 1 2 289.383 0.895 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001323245324 912216473 /nfs/dbraw/zinc/21/64/73/912216473.db2.gz ZHQHWGUNWDUWOC-OLZOCXBDSA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001323245324 912216488 /nfs/dbraw/zinc/21/64/88/912216488.db2.gz ZHQHWGUNWDUWOC-OLZOCXBDSA-N 1 2 279.384 0.812 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001323293364 912248408 /nfs/dbraw/zinc/24/84/08/912248408.db2.gz LWDBTRJBAFEPIK-GHMZBOCLSA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001323293364 912248423 /nfs/dbraw/zinc/24/84/23/912248423.db2.gz LWDBTRJBAFEPIK-GHMZBOCLSA-N 1 2 296.371 0.117 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CCCC)NC(N)=O ZINC001323371863 912300750 /nfs/dbraw/zinc/30/07/50/912300750.db2.gz PBBYPHBLKPTADS-NWDGAFQWSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CCCC)NC(N)=O ZINC001323371863 912300772 /nfs/dbraw/zinc/30/07/72/912300772.db2.gz PBBYPHBLKPTADS-NWDGAFQWSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001323444038 912349257 /nfs/dbraw/zinc/34/92/57/912349257.db2.gz UNWGCVDOQORNJV-LBPRGKRZSA-N 1 2 291.351 0.760 20 30 CCEDLO C#CCCCC(=O)N(C)C1C[NH+](CCOCC)C1 ZINC001323910171 912580067 /nfs/dbraw/zinc/58/00/67/912580067.db2.gz PHHXJWDSFLBJFY-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO CC#CCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001323938212 912592399 /nfs/dbraw/zinc/59/23/99/912592399.db2.gz NWURVEURULJAKU-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO CC#CCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001323938212 912592415 /nfs/dbraw/zinc/59/24/15/912592415.db2.gz NWURVEURULJAKU-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO CN(C(=O)CCCn1cc[nH+]c1)C1CN(CC#N)C1 ZINC001324030355 912635130 /nfs/dbraw/zinc/63/51/30/912635130.db2.gz ZPAPBRJBOQMWKC-UHFFFAOYSA-N 1 2 261.329 0.329 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C#CC(C)C)C1 ZINC001325083513 913201942 /nfs/dbraw/zinc/20/19/42/913201942.db2.gz SBBVSKOMOMGKJW-AWEZNQCLSA-N 1 2 284.787 0.951 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C#CC(C)C)C1 ZINC001325083513 913201951 /nfs/dbraw/zinc/20/19/51/913201951.db2.gz SBBVSKOMOMGKJW-AWEZNQCLSA-N 1 2 284.787 0.951 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC001325129494 913234571 /nfs/dbraw/zinc/23/45/71/913234571.db2.gz YTBXMEDMIQHDHP-QMMMGPOBSA-N 1 2 259.273 0.059 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001325312683 913336906 /nfs/dbraw/zinc/33/69/06/913336906.db2.gz YENTVHPEUCMWMN-UHFFFAOYSA-N 1 2 288.338 0.854 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001347378347 891566033 /nfs/dbraw/zinc/56/60/33/891566033.db2.gz INZUEDZWWJWIDE-LLVKDONJSA-N 1 2 261.325 0.595 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001481058715 892119106 /nfs/dbraw/zinc/11/91/06/892119106.db2.gz OFQYDTOTHAYARO-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001481058715 892119112 /nfs/dbraw/zinc/11/91/12/892119112.db2.gz OFQYDTOTHAYARO-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001267612169 892193972 /nfs/dbraw/zinc/19/39/72/892193972.db2.gz ZZOZPISMLKAAFM-GFCCVEGCSA-N 1 2 265.357 0.246 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001267612169 892193984 /nfs/dbraw/zinc/19/39/84/892193984.db2.gz ZZOZPISMLKAAFM-GFCCVEGCSA-N 1 2 265.357 0.246 20 30 CCEDLO CCCN(C(=O)C(C)C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481390483 892608804 /nfs/dbraw/zinc/60/88/04/892608804.db2.gz NNMXSGJFSHFVOQ-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)C(C)C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481390483 892608808 /nfs/dbraw/zinc/60/88/08/892608808.db2.gz NNMXSGJFSHFVOQ-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001481522614 892768574 /nfs/dbraw/zinc/76/85/74/892768574.db2.gz IKLZEHYEHCLFIG-OAHLLOKOSA-N 1 2 294.395 0.976 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001481522614 892768576 /nfs/dbraw/zinc/76/85/76/892768576.db2.gz IKLZEHYEHCLFIG-OAHLLOKOSA-N 1 2 294.395 0.976 20 30 CCEDLO C=CCC[C@H](C)[NH+]1CC(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001481580998 892861039 /nfs/dbraw/zinc/86/10/39/892861039.db2.gz KLKLRLFVITVOGT-JTQLQIEISA-N 1 2 278.356 0.894 20 30 CCEDLO CCCC(=O)NCC1C[NH+](CC(=O)N(CC)CCC#N)C1 ZINC001481610374 892898431 /nfs/dbraw/zinc/89/84/31/892898431.db2.gz BZLNVRGWCVSDOO-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001481634708 892939106 /nfs/dbraw/zinc/93/91/06/892939106.db2.gz NDEPRDZMXJDNOL-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001481701680 893043085 /nfs/dbraw/zinc/04/30/85/893043085.db2.gz URQBGXFPBGCYLL-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001481701680 893043104 /nfs/dbraw/zinc/04/31/04/893043104.db2.gz URQBGXFPBGCYLL-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO C[C@@H](NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)C1CC1 ZINC001496679542 893466285 /nfs/dbraw/zinc/46/62/85/893466285.db2.gz LRTFYXNTQNOFFS-NWDGAFQWSA-N 1 2 294.399 0.451 20 30 CCEDLO C[C@@H](NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)C1CC1 ZINC001496679542 893466296 /nfs/dbraw/zinc/46/62/96/893466296.db2.gz LRTFYXNTQNOFFS-NWDGAFQWSA-N 1 2 294.399 0.451 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001482284537 893771380 /nfs/dbraw/zinc/77/13/80/893771380.db2.gz OSRZSSQIYNDNIM-QWRGUYRKSA-N 1 2 296.396 0.513 20 30 CCEDLO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1ncn[nH]1 ZINC001482500489 894162209 /nfs/dbraw/zinc/16/22/09/894162209.db2.gz VPTRVAJOEDJXCX-RYUDHWBXSA-N 1 2 275.356 0.197 20 30 CCEDLO C#CC[NH2+][C@H](CNC(=O)c1cncc2nc[nH]c21)C(C)C ZINC001482530528 894196403 /nfs/dbraw/zinc/19/64/03/894196403.db2.gz BROOTZBPECRLQS-GFCCVEGCSA-N 1 2 285.351 0.935 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001482595909 894362469 /nfs/dbraw/zinc/36/24/69/894362469.db2.gz ZTOSLTJKCXVUAQ-UHFFFAOYSA-N 1 2 295.427 0.952 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001482595909 894362486 /nfs/dbraw/zinc/36/24/86/894362486.db2.gz ZTOSLTJKCXVUAQ-UHFFFAOYSA-N 1 2 295.427 0.952 20 30 CCEDLO CC(C)(C)C#CC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483007441 894796127 /nfs/dbraw/zinc/79/61/27/894796127.db2.gz LHQTUKKYCDMSRY-PLNGDYQASA-N 1 2 276.340 0.881 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001483704381 895882945 /nfs/dbraw/zinc/88/29/45/895882945.db2.gz BDXVAZIMUXDHDY-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001483704381 895882956 /nfs/dbraw/zinc/88/29/56/895882956.db2.gz BDXVAZIMUXDHDY-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)CCc2nc[nH]n2)C1 ZINC001483858701 896084892 /nfs/dbraw/zinc/08/48/92/896084892.db2.gz DLTFZRGEHBZTHG-UHFFFAOYSA-N 1 2 277.372 0.846 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001483876496 896101394 /nfs/dbraw/zinc/10/13/94/896101394.db2.gz WIDRIFDMDBWXOL-AWEZNQCLSA-N 1 2 286.347 0.460 20 30 CCEDLO CC(C)OCCC[NH+]1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001484273328 896300983 /nfs/dbraw/zinc/30/09/83/896300983.db2.gz YXEDVWUERINGID-UHFFFAOYSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001484288159 896315606 /nfs/dbraw/zinc/31/56/06/896315606.db2.gz MHRFGYKJRAPSJD-LBPRGKRZSA-N 1 2 284.400 0.523 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCn2cccc2)C1 ZINC001484301908 896331084 /nfs/dbraw/zinc/33/10/84/896331084.db2.gz WYVHZRBZKTUXPS-UHFFFAOYSA-N 1 2 277.368 0.617 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484354427 896353425 /nfs/dbraw/zinc/35/34/25/896353425.db2.gz YFBYMMDYBCPDJL-VXGBXAGGSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@@H](F)CC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001326631164 914062269 /nfs/dbraw/zinc/06/22/69/914062269.db2.gz ANEGQFHYYIESIU-TZMCWYRMSA-N 1 2 282.359 0.965 20 30 CCEDLO C[C@@H](F)CC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001326631164 914062284 /nfs/dbraw/zinc/06/22/84/914062284.db2.gz ANEGQFHYYIESIU-TZMCWYRMSA-N 1 2 282.359 0.965 20 30 CCEDLO C#CCN1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001326669622 914084857 /nfs/dbraw/zinc/08/48/57/914084857.db2.gz BUIDWXGDFWPYAW-AWEZNQCLSA-N 1 2 290.367 0.114 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001485288912 896918567 /nfs/dbraw/zinc/91/85/67/896918567.db2.gz XETJJRHMPYBKHP-WDEREUQCSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001485288912 896918573 /nfs/dbraw/zinc/91/85/73/896918573.db2.gz XETJJRHMPYBKHP-WDEREUQCSA-N 1 2 278.360 0.394 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001485400614 897035794 /nfs/dbraw/zinc/03/57/94/897035794.db2.gz LYLPXZXSRXDVDB-JTQLQIEISA-N 1 2 257.309 0.059 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001485582325 897128262 /nfs/dbraw/zinc/12/82/62/897128262.db2.gz OLGCVXVAQYNMPQ-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001485582325 897128273 /nfs/dbraw/zinc/12/82/73/897128273.db2.gz OLGCVXVAQYNMPQ-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032138245 897287660 /nfs/dbraw/zinc/28/76/60/897287660.db2.gz RZIMJICCDPXWDF-JTQLQIEISA-N 1 2 271.748 0.066 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032379706 897375368 /nfs/dbraw/zinc/37/53/68/897375368.db2.gz BANGCHOGVHFWCT-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032379706 897375382 /nfs/dbraw/zinc/37/53/82/897375382.db2.gz BANGCHOGVHFWCT-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO N#Cc1sccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001326776343 914159537 /nfs/dbraw/zinc/15/95/37/914159537.db2.gz YBKQBBMUKYPWOJ-UHFFFAOYSA-N 1 2 283.378 0.770 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccn2CC)C1 ZINC001107904896 897477992 /nfs/dbraw/zinc/47/79/92/897477992.db2.gz JWAJRMARQMXNNM-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccn2CC)C1 ZINC001107904896 897478000 /nfs/dbraw/zinc/47/80/00/897478000.db2.gz JWAJRMARQMXNNM-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001107935510 897519099 /nfs/dbraw/zinc/51/90/99/897519099.db2.gz DCXVYTFHLWCHDX-AWEZNQCLSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001107935510 897519103 /nfs/dbraw/zinc/51/91/03/897519103.db2.gz DCXVYTFHLWCHDX-AWEZNQCLSA-N 1 2 293.371 0.049 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(F)F)n1 ZINC001032424116 897543914 /nfs/dbraw/zinc/54/39/14/897543914.db2.gz QXAAUJXYSHPDHR-UWVGGRQHSA-N 1 2 280.278 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(F)F)n1 ZINC001032424116 897543916 /nfs/dbraw/zinc/54/39/16/897543916.db2.gz QXAAUJXYSHPDHR-UWVGGRQHSA-N 1 2 280.278 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]cnc21 ZINC001032428924 897553064 /nfs/dbraw/zinc/55/30/64/897553064.db2.gz UHMOYHSXLXAGEG-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]cnc21 ZINC001032428924 897553076 /nfs/dbraw/zinc/55/30/76/897553076.db2.gz UHMOYHSXLXAGEG-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001032554565 897738618 /nfs/dbraw/zinc/73/86/18/897738618.db2.gz CSCOFEUOXPUWKM-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001032554565 897738626 /nfs/dbraw/zinc/73/86/26/897738626.db2.gz CSCOFEUOXPUWKM-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001032563067 897748021 /nfs/dbraw/zinc/74/80/21/897748021.db2.gz MJQZOUARCSBCKK-AGIUHOORSA-N 1 2 293.411 0.960 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001032563067 897748028 /nfs/dbraw/zinc/74/80/28/897748028.db2.gz MJQZOUARCSBCKK-AGIUHOORSA-N 1 2 293.411 0.960 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001032574383 897765928 /nfs/dbraw/zinc/76/59/28/897765928.db2.gz KPPNGQOEVOZMLB-QSLWVIQJSA-N 1 2 260.337 0.187 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001032574383 897765933 /nfs/dbraw/zinc/76/59/33/897765933.db2.gz KPPNGQOEVOZMLB-QSLWVIQJSA-N 1 2 260.337 0.187 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cncnc1 ZINC001032585475 897778915 /nfs/dbraw/zinc/77/89/15/897778915.db2.gz KETLMVFAYGSUDD-SNPRPXQTSA-N 1 2 284.363 0.889 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cncnc1 ZINC001032585475 897778922 /nfs/dbraw/zinc/77/89/22/897778922.db2.gz KETLMVFAYGSUDD-SNPRPXQTSA-N 1 2 284.363 0.889 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CCOC1 ZINC001032587684 897781555 /nfs/dbraw/zinc/78/15/55/897781555.db2.gz PPVHKMKPZHFJSK-GVXVVHGQSA-N 1 2 254.305 0.586 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CCOC1 ZINC001032587684 897781561 /nfs/dbraw/zinc/78/15/61/897781561.db2.gz PPVHKMKPZHFJSK-GVXVVHGQSA-N 1 2 254.305 0.586 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001032589936 897787797 /nfs/dbraw/zinc/78/77/97/897787797.db2.gz BLUAJTPZEIDYQR-MELADBBJSA-N 1 2 298.390 0.758 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001032589936 897787806 /nfs/dbraw/zinc/78/78/06/897787806.db2.gz BLUAJTPZEIDYQR-MELADBBJSA-N 1 2 298.390 0.758 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)co1 ZINC001032620477 897837482 /nfs/dbraw/zinc/83/74/82/897837482.db2.gz DGQWOLRXPJLMGU-QWRGUYRKSA-N 1 2 275.308 0.463 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)co1 ZINC001032620477 897837489 /nfs/dbraw/zinc/83/74/89/897837489.db2.gz DGQWOLRXPJLMGU-QWRGUYRKSA-N 1 2 275.308 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2c1ncn2C ZINC001032622051 897837730 /nfs/dbraw/zinc/83/77/30/897837730.db2.gz QJPBIBKJPSWAQJ-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2c1ncn2C ZINC001032622051 897837736 /nfs/dbraw/zinc/83/77/36/897837736.db2.gz QJPBIBKJPSWAQJ-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001032628899 897843469 /nfs/dbraw/zinc/84/34/69/897843469.db2.gz JPKFTACZQJTNIN-RFGFWPKPSA-N 1 2 289.379 0.196 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001032628899 897843482 /nfs/dbraw/zinc/84/34/82/897843482.db2.gz JPKFTACZQJTNIN-RFGFWPKPSA-N 1 2 289.379 0.196 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn[nH]n1 ZINC001032636445 897861737 /nfs/dbraw/zinc/86/17/37/897861737.db2.gz HHIIEBXEHGWVCD-RYUDHWBXSA-N 1 2 261.329 0.208 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn[nH]n1 ZINC001032636445 897861754 /nfs/dbraw/zinc/86/17/54/897861754.db2.gz HHIIEBXEHGWVCD-RYUDHWBXSA-N 1 2 261.329 0.208 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]nn1 ZINC001032636445 897861764 /nfs/dbraw/zinc/86/17/64/897861764.db2.gz HHIIEBXEHGWVCD-RYUDHWBXSA-N 1 2 261.329 0.208 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]nn1 ZINC001032636445 897861779 /nfs/dbraw/zinc/86/17/79/897861779.db2.gz HHIIEBXEHGWVCD-RYUDHWBXSA-N 1 2 261.329 0.208 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001032638595 897873613 /nfs/dbraw/zinc/87/36/13/897873613.db2.gz HMCUWUUJWIXNOQ-RYUDHWBXSA-N 1 2 298.346 0.021 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001032638595 897873626 /nfs/dbraw/zinc/87/36/26/897873626.db2.gz HMCUWUUJWIXNOQ-RYUDHWBXSA-N 1 2 298.346 0.021 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(NC(C)=O)c1 ZINC001032692480 897939428 /nfs/dbraw/zinc/93/94/28/897939428.db2.gz HVCJCCIGGTYFCO-KBPBESRZSA-N 1 2 298.346 0.572 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(NC(C)=O)c1 ZINC001032692480 897939435 /nfs/dbraw/zinc/93/94/35/897939435.db2.gz HVCJCCIGGTYFCO-KBPBESRZSA-N 1 2 298.346 0.572 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1COCC[N@H+]1CCC[C@@H](C)O ZINC001272859111 898086436 /nfs/dbraw/zinc/08/64/36/898086436.db2.gz LOJDCLZQOFZFSH-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1COCC[N@@H+]1CCC[C@@H](C)O ZINC001272859111 898086446 /nfs/dbraw/zinc/08/64/46/898086446.db2.gz LOJDCLZQOFZFSH-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001108013637 898112693 /nfs/dbraw/zinc/11/26/93/898112693.db2.gz XRYFBZSBHLMHDZ-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001108013637 898112696 /nfs/dbraw/zinc/11/26/96/898112696.db2.gz XRYFBZSBHLMHDZ-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001032758611 898114840 /nfs/dbraw/zinc/11/48/40/898114840.db2.gz ZMCXPLKPAGOPBN-ILXRZTDVSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001032758611 898114844 /nfs/dbraw/zinc/11/48/44/898114844.db2.gz ZMCXPLKPAGOPBN-ILXRZTDVSA-N 1 2 289.379 0.163 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001272886166 898119315 /nfs/dbraw/zinc/11/93/15/898119315.db2.gz HCQCRTQVWIUOBA-DGCLKSJQSA-N 1 2 298.346 0.591 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272889946 898128458 /nfs/dbraw/zinc/12/84/58/898128458.db2.gz XCGLELXULRHCQH-LBPRGKRZSA-N 1 2 278.352 0.401 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)n1 ZINC001032783749 898187086 /nfs/dbraw/zinc/18/70/86/898187086.db2.gz PLHSILBFXKVZEL-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)n1 ZINC001032783749 898187095 /nfs/dbraw/zinc/18/70/95/898187095.db2.gz PLHSILBFXKVZEL-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001078039975 898202453 /nfs/dbraw/zinc/20/24/53/898202453.db2.gz GDZHSBKKPKZAMS-VXGBXAGGSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001078039975 898202465 /nfs/dbraw/zinc/20/24/65/898202465.db2.gz GDZHSBKKPKZAMS-VXGBXAGGSA-N 1 2 293.754 0.533 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N ZINC001078132535 898257253 /nfs/dbraw/zinc/25/72/53/898257253.db2.gz XJJOZEBRGKRECF-UWVGGRQHSA-N 1 2 291.355 0.431 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001078244961 898312583 /nfs/dbraw/zinc/31/25/83/898312583.db2.gz XOYQXPGXDCCBML-BFHYXJOUSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001078244961 898312593 /nfs/dbraw/zinc/31/25/93/898312593.db2.gz XOYQXPGXDCCBML-BFHYXJOUSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001078299658 898325866 /nfs/dbraw/zinc/32/58/66/898325866.db2.gz CIHZTCFNOVIIHB-HUUCEWRRSA-N 1 2 287.363 0.233 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001078299658 898325882 /nfs/dbraw/zinc/32/58/82/898325882.db2.gz CIHZTCFNOVIIHB-HUUCEWRRSA-N 1 2 287.363 0.233 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486149872 898686897 /nfs/dbraw/zinc/68/68/97/898686897.db2.gz UZAFFCMINKHQNI-ZFWWWQNUSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486149872 898686905 /nfs/dbraw/zinc/68/69/05/898686905.db2.gz UZAFFCMINKHQNI-ZFWWWQNUSA-N 1 2 287.367 0.979 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001494599611 899156512 /nfs/dbraw/zinc/15/65/12/899156512.db2.gz VYGNZEAIRIHDRE-STQMWFEESA-N 1 2 293.411 0.464 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1CC#N ZINC001489280553 900462179 /nfs/dbraw/zinc/46/21/79/900462179.db2.gz IFHBOJKAIMEUCZ-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCNC(=O)C#CC2CC2)n1 ZINC001490192767 900562474 /nfs/dbraw/zinc/56/24/74/900562474.db2.gz FGZZXXDNTMIHMV-UHFFFAOYSA-N 1 2 276.340 0.730 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCNC(=O)C#CC2CC2)n1 ZINC001490192767 900562481 /nfs/dbraw/zinc/56/24/81/900562481.db2.gz FGZZXXDNTMIHMV-UHFFFAOYSA-N 1 2 276.340 0.730 20 30 CCEDLO CC[N@H+](CCCNC(=O)C#CC1CC1)Cc1cnn(C)n1 ZINC001490324917 900607196 /nfs/dbraw/zinc/60/71/96/900607196.db2.gz NLPWCVSYVRZBGF-UHFFFAOYSA-N 1 2 289.383 0.557 20 30 CCEDLO CC[N@@H+](CCCNC(=O)C#CC1CC1)Cc1cnn(C)n1 ZINC001490324917 900607204 /nfs/dbraw/zinc/60/72/04/900607204.db2.gz NLPWCVSYVRZBGF-UHFFFAOYSA-N 1 2 289.383 0.557 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](Cc1ncnn1C)C1CC1 ZINC001490366857 900608993 /nfs/dbraw/zinc/60/89/93/900608993.db2.gz JEZHLAPUKRUTRN-NSHDSACASA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](Cc1ncnn1C)C1CC1 ZINC001490366857 900609000 /nfs/dbraw/zinc/60/90/00/900609000.db2.gz JEZHLAPUKRUTRN-NSHDSACASA-N 1 2 290.371 0.445 20 30 CCEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490505741 900655542 /nfs/dbraw/zinc/65/55/42/900655542.db2.gz FMURPZMARIVGNY-HUUCEWRRSA-N 1 2 292.427 0.926 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001320038091 900913142 /nfs/dbraw/zinc/91/31/42/900913142.db2.gz NGCWGRFTHZJHJA-SNVBAGLBSA-N 1 2 251.286 0.890 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001320038091 900913151 /nfs/dbraw/zinc/91/31/51/900913151.db2.gz NGCWGRFTHZJHJA-SNVBAGLBSA-N 1 2 251.286 0.890 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)n1C ZINC001411378165 900926738 /nfs/dbraw/zinc/92/67/38/900926738.db2.gz HUYSOQVGELJZFU-GFCCVEGCSA-N 1 2 290.367 0.689 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)CCC)C[C@@]2(F)C1=O ZINC001274632122 900935706 /nfs/dbraw/zinc/93/57/06/900935706.db2.gz ZDGMCBBJXBHTSK-KWCYVHTRSA-N 1 2 286.322 0.355 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@H](O)CCC)C[C@@]2(F)C1=O ZINC001274632122 900935715 /nfs/dbraw/zinc/93/57/15/900935715.db2.gz ZDGMCBBJXBHTSK-KWCYVHTRSA-N 1 2 286.322 0.355 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CSCC#N)O2 ZINC001327346122 914491601 /nfs/dbraw/zinc/49/16/01/914491601.db2.gz XXDQJVTZXCXKNN-LBPRGKRZSA-N 1 2 295.408 0.779 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001275561135 901127385 /nfs/dbraw/zinc/12/73/85/901127385.db2.gz XDJXMZXXZSZTAX-NEPJUHHUSA-N 1 2 274.368 0.899 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001275561135 901127389 /nfs/dbraw/zinc/12/73/89/901127389.db2.gz XDJXMZXXZSZTAX-NEPJUHHUSA-N 1 2 274.368 0.899 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001327386542 914510595 /nfs/dbraw/zinc/51/05/95/914510595.db2.gz IEKJDVKAQLNJPD-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001491415826 903566341 /nfs/dbraw/zinc/56/63/41/903566341.db2.gz UFNKEKKLKJAAGK-RKDXNWHRSA-N 1 2 283.763 0.827 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001316597133 904109735 /nfs/dbraw/zinc/10/97/35/904109735.db2.gz BGYOXQZMYWFXIZ-NEPJUHHUSA-N 1 2 297.380 0.007 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001316597133 904109742 /nfs/dbraw/zinc/10/97/42/904109742.db2.gz BGYOXQZMYWFXIZ-NEPJUHHUSA-N 1 2 297.380 0.007 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001280677804 904135654 /nfs/dbraw/zinc/13/56/54/904135654.db2.gz JTEQRBIHAAKODP-AWEZNQCLSA-N 1 2 281.400 0.163 20 30 CCEDLO N#CCNC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001280684930 904139214 /nfs/dbraw/zinc/13/92/14/904139214.db2.gz YSVCJFAXVQPDJO-CYBMUJFWSA-N 1 2 291.355 0.004 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COCCOC)O2 ZINC001280921048 904171084 /nfs/dbraw/zinc/17/10/84/904171084.db2.gz UDRVDHWXOIXITH-ZDUSSCGKSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC(=O)N[C@@H]1COC2(C[NH+]([C@@H](C)COC)C2)C1 ZINC001280935194 904175262 /nfs/dbraw/zinc/17/52/62/904175262.db2.gz KEXQQMHGTSOJKA-STQMWFEESA-N 1 2 282.384 0.947 20 30 CCEDLO CN(CC(C)(C)CNCC#N)C(=O)Cc1c[nH+]cn1C ZINC001282337772 904449519 /nfs/dbraw/zinc/44/95/19/904449519.db2.gz MYMGRGZEBUHKFC-UHFFFAOYSA-N 1 2 277.372 0.560 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(C)C)C1 ZINC001282707175 904526444 /nfs/dbraw/zinc/52/64/44/904526444.db2.gz SFGSODQGEQQCFF-CYBMUJFWSA-N 1 2 293.411 0.607 20 30 CCEDLO CC(C)[C@H](F)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282733922 904530855 /nfs/dbraw/zinc/53/08/55/904530855.db2.gz JXLWMGBIKIVTGG-MFKMUULPSA-N 1 2 298.362 0.057 20 30 CCEDLO N#CCNC[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001283052042 904682290 /nfs/dbraw/zinc/68/22/90/904682290.db2.gz IDIKGNBGTIGTGM-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc1nnn(C)n1 ZINC001283215337 904761109 /nfs/dbraw/zinc/76/11/09/904761109.db2.gz VBUAKAMQQFXHKX-NSHDSACASA-N 1 2 294.403 0.797 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1 ZINC001283608926 904928787 /nfs/dbraw/zinc/92/87/87/904928787.db2.gz VVUAGILSNAAOCI-NSHDSACASA-N 1 2 296.396 0.515 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001284529436 905359533 /nfs/dbraw/zinc/35/95/33/905359533.db2.gz ILNMRQUIXGJQTR-ZDUSSCGKSA-N 1 2 292.383 0.064 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001284529436 905359544 /nfs/dbraw/zinc/35/95/44/905359544.db2.gz ILNMRQUIXGJQTR-ZDUSSCGKSA-N 1 2 292.383 0.064 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001378172928 905474329 /nfs/dbraw/zinc/47/43/29/905474329.db2.gz BIIPMLMFEUIUFC-LLVKDONJSA-N 1 2 298.778 0.348 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001378172928 905474356 /nfs/dbraw/zinc/47/43/56/905474356.db2.gz BIIPMLMFEUIUFC-LLVKDONJSA-N 1 2 298.778 0.348 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284940826 905500351 /nfs/dbraw/zinc/50/03/51/905500351.db2.gz JATVFGBWXAEKJM-OAHLLOKOSA-N 1 2 290.367 0.882 20 30 CCEDLO CC(C)C#CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001296057853 906859191 /nfs/dbraw/zinc/85/91/91/906859191.db2.gz IXZLSZWNNMPGSM-UHFFFAOYSA-N 1 2 276.340 0.117 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001337651462 921281715 /nfs/dbraw/zinc/28/17/15/921281715.db2.gz YRURVFQNNSSMMF-GFCCVEGCSA-N 1 2 278.356 0.944 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001337651462 921281719 /nfs/dbraw/zinc/28/17/19/921281719.db2.gz YRURVFQNNSSMMF-GFCCVEGCSA-N 1 2 278.356 0.944 20 30 CCEDLO Cn1c(=O)[nH]c(NCCC[NH+]2CCCCC2)c(C#N)c1=O ZINC001337710936 921286531 /nfs/dbraw/zinc/28/65/31/921286531.db2.gz DVLNJRLBGIMRGA-UHFFFAOYSA-N 1 2 291.355 0.233 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC001297390020 907069496 /nfs/dbraw/zinc/06/94/96/907069496.db2.gz SVNYEHBCPSGUIJ-CYBMUJFWSA-N 1 2 290.367 0.698 20 30 CCEDLO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1ccccc1C#N ZINC001491634864 907471864 /nfs/dbraw/zinc/47/18/64/907471864.db2.gz JCTGTQLQSCSTAZ-NSHDSACASA-N 1 2 298.350 0.513 20 30 CCEDLO C=CCN1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001495870991 907561758 /nfs/dbraw/zinc/56/17/58/907561758.db2.gz QKMZEMZZGOGXAS-ZIAGYGMSSA-N 1 2 292.383 0.837 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001492188907 907739944 /nfs/dbraw/zinc/73/99/44/907739944.db2.gz JZCNPANIGOJYHG-UHFFFAOYSA-N 1 2 260.721 0.675 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001492188907 907739954 /nfs/dbraw/zinc/73/99/54/907739954.db2.gz JZCNPANIGOJYHG-UHFFFAOYSA-N 1 2 260.721 0.675 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001385611487 908468495 /nfs/dbraw/zinc/46/84/95/908468495.db2.gz JUSYNJLHVINBKO-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncc(C)o3)n2C)CC1 ZINC001338312102 921427366 /nfs/dbraw/zinc/42/73/66/921427366.db2.gz SHLMUUGYBTYKDO-UHFFFAOYSA-N 1 2 286.339 0.534 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316967114 908874810 /nfs/dbraw/zinc/87/48/10/908874810.db2.gz RJIBVHPFAWMGIQ-AWEZNQCLSA-N 1 2 278.400 0.846 20 30 CCEDLO Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001317444235 909205652 /nfs/dbraw/zinc/20/56/52/909205652.db2.gz SZLMBEFDHLVFKL-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001317444235 909205665 /nfs/dbraw/zinc/20/56/65/909205665.db2.gz SZLMBEFDHLVFKL-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCCN1CC#N ZINC001317501136 909273395 /nfs/dbraw/zinc/27/33/95/909273395.db2.gz JUOXEXZRMQQNML-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cc[nH+]c1 ZINC001388176791 909405097 /nfs/dbraw/zinc/40/50/97/909405097.db2.gz UBRBDJIWRPRBOY-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001317998590 909567943 /nfs/dbraw/zinc/56/79/43/909567943.db2.gz MFHPQQSGTCATNP-NWDGAFQWSA-N 1 2 297.380 0.646 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](OCC)[C@@H]2CCOC2)C1 ZINC001318048135 909594975 /nfs/dbraw/zinc/59/49/75/909594975.db2.gz QEEZHBDNLWLARM-OCCSQVGLSA-N 1 2 280.368 0.252 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cn2nc(C)cc2C)C1 ZINC001318042402 909597001 /nfs/dbraw/zinc/59/70/01/909597001.db2.gz SWFJKKAMMJDGLR-UHFFFAOYSA-N 1 2 292.383 0.503 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CCC(=C)C)C1 ZINC001318126785 909634736 /nfs/dbraw/zinc/63/47/36/909634736.db2.gz JXXHBCVXSVXESO-UHFFFAOYSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001318166106 909650119 /nfs/dbraw/zinc/65/01/19/909650119.db2.gz YJKZPFWZROSLIJ-UONOGXRCSA-N 1 2 293.411 0.629 20 30 CCEDLO C=CCCOCC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001318180673 909653657 /nfs/dbraw/zinc/65/36/57/909653657.db2.gz XPSHEIKBYZQIJK-UHFFFAOYSA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001318183890 909654635 /nfs/dbraw/zinc/65/46/35/909654635.db2.gz FDJOVEFUGWLUAP-WXHSDQCUSA-N 1 2 277.368 0.372 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001318183890 909654645 /nfs/dbraw/zinc/65/46/45/909654645.db2.gz FDJOVEFUGWLUAP-WXHSDQCUSA-N 1 2 277.368 0.372 20 30 CCEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)co1 ZINC001318248638 909679226 /nfs/dbraw/zinc/67/92/26/909679226.db2.gz WVGVJNDCSZAYFJ-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)co1 ZINC001318248638 909679232 /nfs/dbraw/zinc/67/92/32/909679232.db2.gz WVGVJNDCSZAYFJ-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319320673 910097849 /nfs/dbraw/zinc/09/78/49/910097849.db2.gz XYYMYGRBRHAREQ-OLZOCXBDSA-N 1 2 270.373 0.398 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319320673 910097865 /nfs/dbraw/zinc/09/78/65/910097865.db2.gz XYYMYGRBRHAREQ-OLZOCXBDSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001319331791 910102181 /nfs/dbraw/zinc/10/21/81/910102181.db2.gz IEKNLOGCRVFBGH-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001319331791 910102191 /nfs/dbraw/zinc/10/21/91/910102191.db2.gz IEKNLOGCRVFBGH-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001319545726 910195333 /nfs/dbraw/zinc/19/53/33/910195333.db2.gz QDVLZJWYGHMJFB-CQSZACIVSA-N 1 2 292.427 0.677 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001417717772 921568414 /nfs/dbraw/zinc/56/84/14/921568414.db2.gz IHPIZEQDUDAYIW-UHFFFAOYSA-N 1 2 298.302 0.678 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1C=CCC1 ZINC001319976753 910382614 /nfs/dbraw/zinc/38/26/14/910382614.db2.gz LLPSAYZTHILTHG-AWEZNQCLSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1C=CCC1 ZINC001319976753 910382628 /nfs/dbraw/zinc/38/26/28/910382628.db2.gz LLPSAYZTHILTHG-AWEZNQCLSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)SC ZINC001319989714 910402511 /nfs/dbraw/zinc/40/25/11/910402511.db2.gz HUUSTXUOCUAIEP-LBPRGKRZSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](CC)SC ZINC001319989714 910402524 /nfs/dbraw/zinc/40/25/24/910402524.db2.gz HUUSTXUOCUAIEP-LBPRGKRZSA-N 1 2 299.440 0.268 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001320066021 910442227 /nfs/dbraw/zinc/44/22/27/910442227.db2.gz CFHCRIAJPOCSEC-HNNXBMFYSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001320066021 910442237 /nfs/dbraw/zinc/44/22/37/910442237.db2.gz CFHCRIAJPOCSEC-HNNXBMFYSA-N 1 2 297.399 0.105 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1CNCC#N ZINC001320170410 910492370 /nfs/dbraw/zinc/49/23/70/910492370.db2.gz IDGJPXGVHPFCIG-AAEUAGOBSA-N 1 2 275.356 0.361 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320234024 910544017 /nfs/dbraw/zinc/54/40/17/910544017.db2.gz UEJMQDVWPRATHV-SFYZADRCSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001320234024 910544026 /nfs/dbraw/zinc/54/40/26/910544026.db2.gz UEJMQDVWPRATHV-SFYZADRCSA-N 1 2 272.242 0.530 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001320260986 910563123 /nfs/dbraw/zinc/56/31/23/910563123.db2.gz WEYUCRVUKVALIC-KOLCDFICSA-N 1 2 296.371 0.718 20 30 CCEDLO C[C@H](C(=O)N1CCC(C#N)CC1)[NH+]1CCN(C)CC1 ZINC001338958934 921615179 /nfs/dbraw/zinc/61/51/79/921615179.db2.gz JZBQBHHXMPIWQJ-GFCCVEGCSA-N 1 2 264.373 0.384 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC/C=C/C[NH2+]Cc2ccon2)c1 ZINC001321013770 911017540 /nfs/dbraw/zinc/01/75/40/911017540.db2.gz ZQAQWPPQJIYYON-OWOJBTEDSA-N 1 2 285.307 0.950 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001321689054 911445554 /nfs/dbraw/zinc/44/55/54/911445554.db2.gz ICIOJISNUUPDDE-VXGBXAGGSA-N 1 2 278.356 0.859 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001321689053 911446982 /nfs/dbraw/zinc/44/69/82/911446982.db2.gz ICIOJISNUUPDDE-RYUDHWBXSA-N 1 2 278.356 0.859 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001321856956 911533549 /nfs/dbraw/zinc/53/35/49/911533549.db2.gz NYXPWHOIEVQIDK-LBPRGKRZSA-N 1 2 276.340 0.308 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001321856955 911533653 /nfs/dbraw/zinc/53/36/53/911533653.db2.gz NYXPWHOIEVQIDK-GFCCVEGCSA-N 1 2 276.340 0.308 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001392264653 911679346 /nfs/dbraw/zinc/67/93/46/911679346.db2.gz FZKGCJNYTUEYBL-QWHCGFSZSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001392264653 911679360 /nfs/dbraw/zinc/67/93/60/911679360.db2.gz FZKGCJNYTUEYBL-QWHCGFSZSA-N 1 2 296.415 0.841 20 30 CCEDLO C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001322237007 911720486 /nfs/dbraw/zinc/72/04/86/911720486.db2.gz MRNIBYLTCIRENP-JTQLQIEISA-N 1 2 284.335 0.802 20 30 CCEDLO C=CCOCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001322237007 911720504 /nfs/dbraw/zinc/72/05/04/911720504.db2.gz MRNIBYLTCIRENP-JTQLQIEISA-N 1 2 284.335 0.802 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001323176376 912155586 /nfs/dbraw/zinc/15/55/86/912155586.db2.gz CUWJTGQIVGAZPM-STQMWFEESA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001323176376 912155593 /nfs/dbraw/zinc/15/55/93/912155593.db2.gz CUWJTGQIVGAZPM-STQMWFEESA-N 1 2 279.384 0.834 20 30 CCEDLO CC(C)NC(=O)NCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001392825088 912175077 /nfs/dbraw/zinc/17/50/77/912175077.db2.gz RHASLAHSBDCUNV-RYUDHWBXSA-N 1 2 295.387 0.044 20 30 CCEDLO CC(C)NC(=O)NCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001392825088 912175085 /nfs/dbraw/zinc/17/50/85/912175085.db2.gz RHASLAHSBDCUNV-RYUDHWBXSA-N 1 2 295.387 0.044 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001323209249 912183956 /nfs/dbraw/zinc/18/39/56/912183956.db2.gz FTQVMFRJVAOWIS-GFCCVEGCSA-N 1 2 289.335 0.241 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001323209249 912183966 /nfs/dbraw/zinc/18/39/66/912183966.db2.gz FTQVMFRJVAOWIS-GFCCVEGCSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCC=C ZINC001323231924 912208499 /nfs/dbraw/zinc/20/84/99/912208499.db2.gz MIQCSXSMYLONQE-KBPBESRZSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC=C ZINC001323231924 912208516 /nfs/dbraw/zinc/20/85/16/912208516.db2.gz MIQCSXSMYLONQE-KBPBESRZSA-N 1 2 291.395 0.671 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001328766936 915420759 /nfs/dbraw/zinc/42/07/59/915420759.db2.gz XBFIVQRJKMHQGC-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO CCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001399910090 915436931 /nfs/dbraw/zinc/43/69/31/915436931.db2.gz YYXVZTUBLPGBML-VXGBXAGGSA-N 1 2 290.371 0.396 20 30 CCEDLO CCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001399910090 915436935 /nfs/dbraw/zinc/43/69/35/915436935.db2.gz YYXVZTUBLPGBML-VXGBXAGGSA-N 1 2 290.371 0.396 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccco2)C1 ZINC001329951846 916305438 /nfs/dbraw/zinc/30/54/38/916305438.db2.gz HSNKJCIGHSMRCS-NSHDSACASA-N 1 2 291.351 0.632 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)OC)C1 ZINC001329972734 916325655 /nfs/dbraw/zinc/32/56/55/916325655.db2.gz RINBAHDPDRETCK-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)OCC ZINC001330001607 916351108 /nfs/dbraw/zinc/35/11/08/916351108.db2.gz XRKAXKFAGNLRET-AAEUAGOBSA-N 1 2 297.399 0.280 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H](C)COC ZINC001330464024 916645496 /nfs/dbraw/zinc/64/54/96/916645496.db2.gz VVXVFHLDMOFTQG-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001402871116 917310816 /nfs/dbraw/zinc/31/08/16/917310816.db2.gz SNJCAMSXYPTMNW-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001403191344 917569490 /nfs/dbraw/zinc/56/94/90/917569490.db2.gz RBCVXXZSIJIJCY-SNVBAGLBSA-N 1 2 298.774 0.583 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001403191344 917569499 /nfs/dbraw/zinc/56/94/99/917569499.db2.gz RBCVXXZSIJIJCY-SNVBAGLBSA-N 1 2 298.774 0.583 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCCN1CC#N ZINC001332203019 917953476 /nfs/dbraw/zinc/95/34/76/917953476.db2.gz ZRFHOAPSXYUPMF-STQMWFEESA-N 1 2 275.356 0.766 20 30 CCEDLO C#CCC[NH+]1CCN(Cc2nnc(OC)s2)CC1 ZINC001332702133 918390537 /nfs/dbraw/zinc/39/05/37/918390537.db2.gz ZKYWENFQORIWHD-UHFFFAOYSA-N 1 2 266.370 0.688 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001404671071 918422885 /nfs/dbraw/zinc/42/28/85/918422885.db2.gz ANTDUAYDFORGDH-LLVKDONJSA-N 1 2 298.778 0.396 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001404671071 918422897 /nfs/dbraw/zinc/42/28/97/918422897.db2.gz ANTDUAYDFORGDH-LLVKDONJSA-N 1 2 298.778 0.396 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001405143656 918623119 /nfs/dbraw/zinc/62/31/19/918623119.db2.gz JIUCVFAAFNIMNI-MNOVXSKESA-N 1 2 291.355 0.085 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nnc(C)s1 ZINC001333390243 918859937 /nfs/dbraw/zinc/85/99/37/918859937.db2.gz YZRWHMFFAFPGOY-NSHDSACASA-N 1 2 278.381 0.903 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nnc(C)s1 ZINC001333390243 918859953 /nfs/dbraw/zinc/85/99/53/918859953.db2.gz YZRWHMFFAFPGOY-NSHDSACASA-N 1 2 278.381 0.903 20 30 CCEDLO C=CCC[C@H](C)[NH2+]Cc1nc(CS(C)(=O)=O)n[nH]1 ZINC001333827484 919191905 /nfs/dbraw/zinc/19/19/05/919191905.db2.gz UEKWXRFGSZSGJY-VIFPVBQESA-N 1 2 272.374 0.794 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)C(F)(F)F ZINC001335986421 920546139 /nfs/dbraw/zinc/54/61/39/920546139.db2.gz KUOSARNNMALZST-BDAKNGLRSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)C(F)(F)F ZINC001335986421 920546150 /nfs/dbraw/zinc/54/61/50/920546150.db2.gz KUOSARNNMALZST-BDAKNGLRSA-N 1 2 253.268 0.733 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001336390443 920751224 /nfs/dbraw/zinc/75/12/24/920751224.db2.gz WLAKXGMBLKNRHU-ZDUSSCGKSA-N 1 2 270.373 0.494 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)C(F)(F)F ZINC001336810406 921028397 /nfs/dbraw/zinc/02/83/97/921028397.db2.gz HJAFXPWKBBGGPE-MRVPVSSYSA-N 1 2 283.275 0.954 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nc(CC2CC2)no1 ZINC001418207934 921911104 /nfs/dbraw/zinc/91/11/04/921911104.db2.gz CHIUTWCZCCQIGN-UWVGGRQHSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCc1cnn[nH]1 ZINC001418282359 921989947 /nfs/dbraw/zinc/98/99/47/921989947.db2.gz PFHHXMONAUJARB-SECBINFHSA-N 1 2 271.752 0.584 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001340702430 922175870 /nfs/dbraw/zinc/17/58/70/922175870.db2.gz RGKKOYDXTZMBED-DOMZBBRYSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001340702430 922175876 /nfs/dbraw/zinc/17/58/76/922175876.db2.gz RGKKOYDXTZMBED-DOMZBBRYSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)CO)n2C)CC1 ZINC001341505987 922520124 /nfs/dbraw/zinc/52/01/24/922520124.db2.gz YKBCJGMVOCPZAU-LBPRGKRZSA-N 1 2 277.372 0.056 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001419534324 922902888 /nfs/dbraw/zinc/90/28/88/922902888.db2.gz DSPSBYBGQIPVJE-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001419534324 922902891 /nfs/dbraw/zinc/90/28/91/922902891.db2.gz DSPSBYBGQIPVJE-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001347234766 924404287 /nfs/dbraw/zinc/40/42/87/924404287.db2.gz PVUSXQPFZQSDKK-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001347234766 924404290 /nfs/dbraw/zinc/40/42/90/924404290.db2.gz PVUSXQPFZQSDKK-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C=C1CC(C)(C(=O)NCCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001349203172 924908267 /nfs/dbraw/zinc/90/82/67/924908267.db2.gz YEVTWBHXGXZCQZ-UHFFFAOYSA-N 1 2 290.367 0.931 20 30 CCEDLO C=C1CC(C)(C(=O)NCCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001349203172 924908278 /nfs/dbraw/zinc/90/82/78/924908278.db2.gz YEVTWBHXGXZCQZ-UHFFFAOYSA-N 1 2 290.367 0.931 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001352119893 925526707 /nfs/dbraw/zinc/52/67/07/925526707.db2.gz HELNHUPNUWJUHV-CYBMUJFWSA-N 1 2 266.345 0.344 20 30 CCEDLO C=CCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001352669390 925617505 /nfs/dbraw/zinc/61/75/05/925617505.db2.gz IDAXPMIZVRBMCR-NSHDSACASA-N 1 2 264.329 0.539 20 30 CCEDLO C=CCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001352669390 925617508 /nfs/dbraw/zinc/61/75/08/925617508.db2.gz IDAXPMIZVRBMCR-NSHDSACASA-N 1 2 264.329 0.539 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480452623 925751723 /nfs/dbraw/zinc/75/17/23/925751723.db2.gz NSQTZTXPMUVPJV-QMTHXVAHSA-N 1 2 296.371 0.553 20 30 CCEDLO Cc1nc(C(=O)NCCc2[nH+]ccn2C)ccc1C#N ZINC001353239227 925770298 /nfs/dbraw/zinc/77/02/98/925770298.db2.gz GBUYDGGBRNZROK-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO C#CC[NH2+]CC(=O)NCCN1CCc2ccccc2C1 ZINC001353482960 925844848 /nfs/dbraw/zinc/84/48/48/925844848.db2.gz PYTOYWNOCMHERZ-UHFFFAOYSA-N 1 2 271.364 0.384 20 30 CCEDLO C#CCC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001354172124 926030788 /nfs/dbraw/zinc/03/07/88/926030788.db2.gz WQDMKTYDTFYLAP-UHFFFAOYSA-N 1 2 261.325 0.637 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001355641657 926296333 /nfs/dbraw/zinc/29/63/33/926296333.db2.gz YDWQPKXHPWZPBU-GFCCVEGCSA-N 1 2 291.399 0.477 20 30 CCEDLO C=CCCCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001355861668 926321286 /nfs/dbraw/zinc/32/12/86/926321286.db2.gz PHGGTIMNFMYQKT-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001421304210 926666213 /nfs/dbraw/zinc/66/62/13/926666213.db2.gz SZLXSQKDIOZGDJ-JTQLQIEISA-N 1 2 288.779 0.201 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001421304210 926666219 /nfs/dbraw/zinc/66/62/19/926666219.db2.gz SZLXSQKDIOZGDJ-JTQLQIEISA-N 1 2 288.779 0.201 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2csnn2)CCC1 ZINC001421733127 926881328 /nfs/dbraw/zinc/88/13/28/926881328.db2.gz CBYVIJFNUAWVIU-SECBINFHSA-N 1 2 279.369 0.826 20 30 CCEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N)nn1C ZINC001422782232 927507637 /nfs/dbraw/zinc/50/76/37/927507637.db2.gz NTNFAQLBKRAELE-GHMZBOCLSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N)nn1C ZINC001422782232 927507646 /nfs/dbraw/zinc/50/76/46/927507646.db2.gz NTNFAQLBKRAELE-GHMZBOCLSA-N 1 2 277.372 0.825 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001422867109 927561748 /nfs/dbraw/zinc/56/17/48/927561748.db2.gz WZUJOQIRPMFNHF-WPRPVWTQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001422867109 927561755 /nfs/dbraw/zinc/56/17/55/927561755.db2.gz WZUJOQIRPMFNHF-WPRPVWTQSA-N 1 2 275.780 0.687 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001362594318 928223483 /nfs/dbraw/zinc/22/34/83/928223483.db2.gz ABTMVLGYYRYINC-SMDDNHRTSA-N 1 2 274.324 0.323 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001427068742 928964362 /nfs/dbraw/zinc/96/43/62/928964362.db2.gz LQZSTWVFPDJTNT-VHSXEESVSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cnc(C#N)c(C#N)n2)CCO1 ZINC001363726477 929523247 /nfs/dbraw/zinc/52/32/47/929523247.db2.gz GRMXFFHYFJODNA-JTQLQIEISA-N 1 2 272.312 0.353 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cnc(C#N)c(C#N)n2)CCO1 ZINC001363726477 929523255 /nfs/dbraw/zinc/52/32/55/929523255.db2.gz GRMXFFHYFJODNA-JTQLQIEISA-N 1 2 272.312 0.353 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001443679483 929667733 /nfs/dbraw/zinc/66/77/33/929667733.db2.gz ZCSWWXMMYNRVGI-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001443834969 929718435 /nfs/dbraw/zinc/71/84/35/929718435.db2.gz BEZUVMKXOSDGAF-LLVKDONJSA-N 1 2 298.778 0.348 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001443834969 929718443 /nfs/dbraw/zinc/71/84/43/929718443.db2.gz BEZUVMKXOSDGAF-LLVKDONJSA-N 1 2 298.778 0.348 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001373588154 930257675 /nfs/dbraw/zinc/25/76/75/930257675.db2.gz NHJSIVFOSLEXCC-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001373588154 930257685 /nfs/dbraw/zinc/25/76/85/930257685.db2.gz NHJSIVFOSLEXCC-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001375101832 930792962 /nfs/dbraw/zinc/79/29/62/930792962.db2.gz KKHDXGACTBCAJK-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001375101832 930792968 /nfs/dbraw/zinc/79/29/68/930792968.db2.gz KKHDXGACTBCAJK-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)[nH]1 ZINC001448428199 930887498 /nfs/dbraw/zinc/88/74/98/930887498.db2.gz XRCAIAGFHIWHJW-PDEGPIFNSA-N 1 2 288.355 0.067 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)[nH]1 ZINC001448428199 930887501 /nfs/dbraw/zinc/88/75/01/930887501.db2.gz XRCAIAGFHIWHJW-PDEGPIFNSA-N 1 2 288.355 0.067 20 30 CCEDLO C#CC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001602700750 971321317 /nfs/dbraw/zinc/32/13/17/971321317.db2.gz HPGIDENBMPRUPD-UHFFFAOYSA-N 1 2 294.395 0.680 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)(C)C ZINC000092805596 349506222 /nfs/dbraw/zinc/50/62/22/349506222.db2.gz WZSZLZAUTGTLRW-GFCCVEGCSA-N 1 2 283.372 0.926 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000599667414 361778592 /nfs/dbraw/zinc/77/85/92/361778592.db2.gz FQQRSLKASYGBCD-ZDUSSCGKSA-N 1 2 287.319 0.399 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000599667414 361778596 /nfs/dbraw/zinc/77/85/96/361778596.db2.gz FQQRSLKASYGBCD-ZDUSSCGKSA-N 1 2 287.319 0.399 20 30 CCEDLO C#CC[NH+]1CCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000094150541 349561688 /nfs/dbraw/zinc/56/16/88/349561688.db2.gz ZKKCAMQBEBNPQC-UHFFFAOYSA-N 1 2 277.328 0.646 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617719513 365724439 /nfs/dbraw/zinc/72/44/39/365724439.db2.gz OASCRRHEIVMAMK-WZRBSPASSA-N 1 2 256.346 0.149 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617719513 365724440 /nfs/dbraw/zinc/72/44/40/365724440.db2.gz OASCRRHEIVMAMK-WZRBSPASSA-N 1 2 256.346 0.149 20 30 CCEDLO N#CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC2(CC2)C1 ZINC000601356269 362242359 /nfs/dbraw/zinc/24/23/59/362242359.db2.gz LVBLGDDXVTZPCX-GFCCVEGCSA-N 1 2 274.368 0.186 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000329969183 529784890 /nfs/dbraw/zinc/78/48/90/529784890.db2.gz XCMYGQAGIVGORW-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000329969183 529784891 /nfs/dbraw/zinc/78/48/91/529784891.db2.gz XCMYGQAGIVGORW-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc(C#N)cc2F)C1 ZINC000413101333 529790060 /nfs/dbraw/zinc/79/00/60/529790060.db2.gz IMUPPDRCUHTMDW-SNVBAGLBSA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc(C#N)cc2F)C1 ZINC000413101333 529790061 /nfs/dbraw/zinc/79/00/61/529790061.db2.gz IMUPPDRCUHTMDW-SNVBAGLBSA-N 1 2 250.277 0.835 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000332491206 529860962 /nfs/dbraw/zinc/86/09/62/529860962.db2.gz FHJMCJJPBWVCCB-ZWNOBZJWSA-N 1 2 268.361 0.107 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000332491206 529860963 /nfs/dbraw/zinc/86/09/63/529860963.db2.gz FHJMCJJPBWVCCB-ZWNOBZJWSA-N 1 2 268.361 0.107 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCC1 ZINC000083795585 260190462 /nfs/dbraw/zinc/19/04/62/260190462.db2.gz WAPLJAWFIDJCAX-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C#N ZINC000191341828 231905439 /nfs/dbraw/zinc/90/54/39/231905439.db2.gz NHPBNRVSIMHRNV-OAHLLOKOSA-N 1 2 285.351 0.994 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C#N ZINC000191341828 231905442 /nfs/dbraw/zinc/90/54/42/231905442.db2.gz NHPBNRVSIMHRNV-OAHLLOKOSA-N 1 2 285.351 0.994 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000601470831 362284314 /nfs/dbraw/zinc/28/43/14/362284314.db2.gz OVKDFJIRTOENHJ-SNVBAGLBSA-N 1 2 285.373 0.329 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601533148 362303105 /nfs/dbraw/zinc/30/31/05/362303105.db2.gz YAZBKBHGFRDKHS-UHFFFAOYSA-N 1 2 271.346 0.322 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000601528477 362301986 /nfs/dbraw/zinc/30/19/86/362301986.db2.gz JQXFDKWPSZUEHM-CYBMUJFWSA-N 1 2 275.312 0.130 20 30 CCEDLO C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000601641061 362336869 /nfs/dbraw/zinc/33/68/69/362336869.db2.gz NBVAIVGRHLRAGH-BBBLOLIVSA-N 1 2 261.329 0.903 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000601781012 362389805 /nfs/dbraw/zinc/38/98/05/362389805.db2.gz FIPHLUDLFIZRGT-LLVKDONJSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000601780985 362389859 /nfs/dbraw/zinc/38/98/59/362389859.db2.gz FAJGCFJHNVMYKN-SNVBAGLBSA-N 1 2 265.313 0.966 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601967819 362441871 /nfs/dbraw/zinc/44/18/71/362441871.db2.gz CJUGQOCNEOQHQE-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601967819 362441874 /nfs/dbraw/zinc/44/18/74/362441874.db2.gz CJUGQOCNEOQHQE-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO CCc1c[nH]c(CC(=O)N(CCC#N)CCOC)[nH+]1 ZINC000602091656 362482047 /nfs/dbraw/zinc/48/20/47/362482047.db2.gz MQBWKIGOFSCKIZ-UHFFFAOYSA-N 1 2 264.329 0.903 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCO1 ZINC000602097941 362485376 /nfs/dbraw/zinc/48/53/76/362485376.db2.gz REZIAHFWQYUVGP-LBPRGKRZSA-N 1 2 298.302 0.942 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(C(F)F)c1 ZINC000602332537 362588981 /nfs/dbraw/zinc/58/89/81/362588981.db2.gz KRXLEAINIMWSRR-LLVKDONJSA-N 1 2 271.271 0.852 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000602611288 362712900 /nfs/dbraw/zinc/71/29/00/362712900.db2.gz LWSGBNYMGHBSHX-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCOC3)C2)n1 ZINC000602611288 362712904 /nfs/dbraw/zinc/71/29/04/362712904.db2.gz LWSGBNYMGHBSHX-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO CCC[N@H+](Cc1cccc(C#N)n1)[C@H]1CC(=O)N(C)C1=O ZINC000602657428 362735622 /nfs/dbraw/zinc/73/56/22/362735622.db2.gz GHBKJCMQODOOBB-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CC(=O)N(C)C1=O ZINC000602657428 362735627 /nfs/dbraw/zinc/73/56/27/362735627.db2.gz GHBKJCMQODOOBB-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO N#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)nn1 ZINC000617975164 365863807 /nfs/dbraw/zinc/86/38/07/365863807.db2.gz NLIKHLRSPZEMHA-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)OC ZINC000602737443 362777009 /nfs/dbraw/zinc/77/70/09/362777009.db2.gz CJJUUDAUIKJUFS-WDEREUQCSA-N 1 2 252.318 0.764 20 30 CCEDLO CCN(C#N)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602787120 362800085 /nfs/dbraw/zinc/80/00/85/362800085.db2.gz IICJKNJZFIGHLB-ZDUSSCGKSA-N 1 2 299.382 0.662 20 30 CCEDLO CCN(C#N)CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602787120 362800091 /nfs/dbraw/zinc/80/00/91/362800091.db2.gz IICJKNJZFIGHLB-ZDUSSCGKSA-N 1 2 299.382 0.662 20 30 CCEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)CCN1S(C)(=O)=O ZINC000602801933 362809497 /nfs/dbraw/zinc/80/94/97/362809497.db2.gz NZWKRCQOTFFECQ-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCN1S(C)(=O)=O ZINC000602801933 362809499 /nfs/dbraw/zinc/80/94/99/362809499.db2.gz NZWKRCQOTFFECQ-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@@H](c1nncn1C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849286 362836401 /nfs/dbraw/zinc/83/64/01/362836401.db2.gz KWJIZCISCNDZHU-TUAOUCFPSA-N 1 2 262.361 0.794 20 30 CCEDLO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849286 362836406 /nfs/dbraw/zinc/83/64/06/362836406.db2.gz KWJIZCISCNDZHU-TUAOUCFPSA-N 1 2 262.361 0.794 20 30 CCEDLO CCN1OC[C@H]([NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1=O ZINC000602853325 362840289 /nfs/dbraw/zinc/84/02/89/362840289.db2.gz HRHOMAZWEQINKY-UTUOFQBUSA-N 1 2 266.345 0.067 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602862109 362847452 /nfs/dbraw/zinc/84/74/52/362847452.db2.gz IWYPFFLNGRPQJC-UWVGGRQHSA-N 1 2 254.334 0.748 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000602865107 362848526 /nfs/dbraw/zinc/84/85/26/362848526.db2.gz WJSMSTROOBWTJZ-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000602866226 362848540 /nfs/dbraw/zinc/84/85/40/362848540.db2.gz ZDWDYBJUDUJXAF-LURJTMIESA-N 1 2 266.223 0.266 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339363524 215123706 /nfs/dbraw/zinc/12/37/06/215123706.db2.gz ZPBMHZGNNLQXSV-CYBMUJFWSA-N 1 2 261.325 0.799 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339363524 215123709 /nfs/dbraw/zinc/12/37/09/215123709.db2.gz ZPBMHZGNNLQXSV-CYBMUJFWSA-N 1 2 261.325 0.799 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000339366364 215125866 /nfs/dbraw/zinc/12/58/66/215125866.db2.gz MQUKKAZEMGAURE-LBPRGKRZSA-N 1 2 265.288 0.629 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000339366364 215125870 /nfs/dbraw/zinc/12/58/70/215125870.db2.gz MQUKKAZEMGAURE-LBPRGKRZSA-N 1 2 265.288 0.629 20 30 CCEDLO N#Cc1cccc(Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000535887086 290844800 /nfs/dbraw/zinc/84/48/00/290844800.db2.gz CYFGMNNJKRMNQW-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000602881919 362861752 /nfs/dbraw/zinc/86/17/52/362861752.db2.gz MLFORNFSBXUYCC-UHFFFAOYSA-N 1 2 276.344 0.272 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CC[N@@H+](C)C(C)(C)C2)[nH]1 ZINC000602881919 362861756 /nfs/dbraw/zinc/86/17/56/362861756.db2.gz MLFORNFSBXUYCC-UHFFFAOYSA-N 1 2 276.344 0.272 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000047259046 348373406 /nfs/dbraw/zinc/37/34/06/348373406.db2.gz VFYGHBFTLDUIBS-UHFFFAOYSA-N 1 2 282.369 0.895 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000047259046 348373408 /nfs/dbraw/zinc/37/34/08/348373408.db2.gz VFYGHBFTLDUIBS-UHFFFAOYSA-N 1 2 282.369 0.895 20 30 CCEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047857711 348389817 /nfs/dbraw/zinc/38/98/17/348389817.db2.gz HQTMCNCZCSYFSE-GFCCVEGCSA-N 1 2 287.367 0.552 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982763 362922459 /nfs/dbraw/zinc/92/24/59/362922459.db2.gz XVPXCVCDZXCZPR-GHMZBOCLSA-N 1 2 259.375 0.502 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982763 362922462 /nfs/dbraw/zinc/92/24/62/362922462.db2.gz XVPXCVCDZXCZPR-GHMZBOCLSA-N 1 2 259.375 0.502 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(=O)NCC ZINC000049971136 348462783 /nfs/dbraw/zinc/46/27/83/348462783.db2.gz VARNPIKAFBZQEX-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(=O)NCC ZINC000049971136 348462786 /nfs/dbraw/zinc/46/27/86/348462786.db2.gz VARNPIKAFBZQEX-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685105 348513012 /nfs/dbraw/zinc/51/30/12/348513012.db2.gz GHPZHLBDYLNTHG-UHFFFAOYSA-N 1 2 263.385 0.640 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000052685105 348513016 /nfs/dbraw/zinc/51/30/16/348513016.db2.gz GHPZHLBDYLNTHG-UHFFFAOYSA-N 1 2 263.385 0.640 20 30 CCEDLO CCOC(=O)c1cnn(Cc2c[nH+]cn2C)c1C#N ZINC000273437399 192149153 /nfs/dbraw/zinc/14/91/53/192149153.db2.gz CEKQRNSLHNBZEG-UHFFFAOYSA-N 1 2 259.269 0.713 20 30 CCEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)NCC#N)oc1C ZINC000066656980 348752705 /nfs/dbraw/zinc/75/27/05/348752705.db2.gz NRNVLQOTXHHOGM-UHFFFAOYSA-N 1 2 279.296 0.446 20 30 CCEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)NCC#N)oc1C ZINC000066656980 348752708 /nfs/dbraw/zinc/75/27/08/348752708.db2.gz NRNVLQOTXHHOGM-UHFFFAOYSA-N 1 2 279.296 0.446 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000075637191 349043712 /nfs/dbraw/zinc/04/37/12/349043712.db2.gz OERAYNHRSWXDEJ-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000075637191 349043715 /nfs/dbraw/zinc/04/37/15/349043715.db2.gz OERAYNHRSWXDEJ-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832675 349052138 /nfs/dbraw/zinc/05/21/38/349052138.db2.gz UMZFAQDQGXBDMN-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832675 349052140 /nfs/dbraw/zinc/05/21/40/349052140.db2.gz UMZFAQDQGXBDMN-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO C#CC[NH+](CC#C)CCn1nc2ccccn2c1=O ZINC000076185183 349073191 /nfs/dbraw/zinc/07/31/91/349073191.db2.gz FAFUMQPYQOEOFM-UHFFFAOYSA-N 1 2 254.293 0.064 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cn1C ZINC000081751885 349281948 /nfs/dbraw/zinc/28/19/48/349281948.db2.gz XNLVMOQFORTVKB-GFCCVEGCSA-N 1 2 289.383 0.262 20 30 CCEDLO CN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000084203699 349317025 /nfs/dbraw/zinc/31/70/25/349317025.db2.gz MDNLEDMBTXCIDI-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000084203699 349317028 /nfs/dbraw/zinc/31/70/28/349317028.db2.gz MDNLEDMBTXCIDI-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000084715374 349325485 /nfs/dbraw/zinc/32/54/85/349325485.db2.gz MEORNAOAGHSCCK-ZDUSSCGKSA-N 1 2 296.415 0.757 20 30 CCEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000290930183 197861744 /nfs/dbraw/zinc/86/17/44/197861744.db2.gz NJOONWGPXBKNOG-BXUZGUMPSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCSC1)[NH+]1CCSCC1 ZINC000131637372 350280764 /nfs/dbraw/zinc/28/07/64/350280764.db2.gz WUZPUXUYAPMEQP-CMPLNLGQSA-N 1 2 285.438 0.939 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000133145656 350326748 /nfs/dbraw/zinc/32/67/48/350326748.db2.gz LOEDTJIOJIAAIJ-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000135624063 350405176 /nfs/dbraw/zinc/40/51/76/350405176.db2.gz UEABSMXVAYXQCE-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000135624063 350405182 /nfs/dbraw/zinc/40/51/82/350405182.db2.gz UEABSMXVAYXQCE-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085988 362955261 /nfs/dbraw/zinc/95/52/61/362955261.db2.gz CPWNGYPURSMLFM-BXKDBHETSA-N 1 2 263.322 0.625 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085988 362955267 /nfs/dbraw/zinc/95/52/67/362955267.db2.gz CPWNGYPURSMLFM-BXKDBHETSA-N 1 2 263.322 0.625 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000158814931 350663378 /nfs/dbraw/zinc/66/33/78/350663378.db2.gz YQZVRESRSUPETQ-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000158814931 350663380 /nfs/dbraw/zinc/66/33/80/350663380.db2.gz YQZVRESRSUPETQ-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(N)=O ZINC000160032418 350694373 /nfs/dbraw/zinc/69/43/73/350694373.db2.gz LUULLMFYYSDFMT-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(N)=O ZINC000160032418 350694374 /nfs/dbraw/zinc/69/43/74/350694374.db2.gz LUULLMFYYSDFMT-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163810255 350773183 /nfs/dbraw/zinc/77/31/83/350773183.db2.gz COLMVAXSAYJREK-ZDUSSCGKSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163810255 350773186 /nfs/dbraw/zinc/77/31/86/350773186.db2.gz COLMVAXSAYJREK-ZDUSSCGKSA-N 1 2 284.400 0.883 20 30 CCEDLO Cn1ncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000353354125 137523846 /nfs/dbraw/zinc/52/38/46/137523846.db2.gz QEPLKCMDTKSCFE-UHFFFAOYSA-N 1 2 296.334 0.649 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419127 350907627 /nfs/dbraw/zinc/90/76/27/350907627.db2.gz YIQOQKYLJFZUGW-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000184060596 351399477 /nfs/dbraw/zinc/39/94/77/351399477.db2.gz LMCHVYQRJJXQKN-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000184060596 351399480 /nfs/dbraw/zinc/39/94/80/351399480.db2.gz LMCHVYQRJJXQKN-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000188602380 351610010 /nfs/dbraw/zinc/61/00/10/351610010.db2.gz YMRRZXDCEJZVCN-MJBXVCDLSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000188602380 351610017 /nfs/dbraw/zinc/61/00/17/351610017.db2.gz YMRRZXDCEJZVCN-MJBXVCDLSA-N 1 2 290.319 0.200 20 30 CCEDLO C=CCOCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000618522422 366037430 /nfs/dbraw/zinc/03/74/30/366037430.db2.gz GXSGXMYLMQBBJU-UHFFFAOYSA-N 1 2 287.323 0.985 20 30 CCEDLO COCCN1CCC[N@H+](Cc2ccc(C#N)o2)CC1=O ZINC000191700858 351768897 /nfs/dbraw/zinc/76/88/97/351768897.db2.gz ZHZWGSWUTMCLED-UHFFFAOYSA-N 1 2 277.324 0.832 20 30 CCEDLO COCCN1CCC[N@@H+](Cc2ccc(C#N)o2)CC1=O ZINC000191700858 351768902 /nfs/dbraw/zinc/76/89/02/351768902.db2.gz ZHZWGSWUTMCLED-UHFFFAOYSA-N 1 2 277.324 0.832 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193011086 351808529 /nfs/dbraw/zinc/80/85/29/351808529.db2.gz VNLUPLVXONTNPS-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193011086 351808532 /nfs/dbraw/zinc/80/85/32/351808532.db2.gz VNLUPLVXONTNPS-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000198400534 351921587 /nfs/dbraw/zinc/92/15/87/351921587.db2.gz WBALUBPCPWXHMZ-UHFFFAOYSA-N 1 2 294.399 0.691 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000198400534 351921592 /nfs/dbraw/zinc/92/15/92/351921592.db2.gz WBALUBPCPWXHMZ-UHFFFAOYSA-N 1 2 294.399 0.691 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249064386 352475310 /nfs/dbraw/zinc/47/53/10/352475310.db2.gz ZCZVNOOCOKNUDB-GJZGRUSLSA-N 1 2 295.383 0.532 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249064386 352475312 /nfs/dbraw/zinc/47/53/12/352475312.db2.gz ZCZVNOOCOKNUDB-GJZGRUSLSA-N 1 2 295.383 0.532 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H](C)C#N ZINC000249913732 352502383 /nfs/dbraw/zinc/50/23/83/352502383.db2.gz WXEDKFNAWUHCCL-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H](C)C#N ZINC000249913732 352502389 /nfs/dbraw/zinc/50/23/89/352502389.db2.gz WXEDKFNAWUHCCL-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000265499239 352642503 /nfs/dbraw/zinc/64/25/03/352642503.db2.gz HUUJAJOVCXUICW-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000265508297 352643720 /nfs/dbraw/zinc/64/37/20/352643720.db2.gz JVMOTEHWZJYUIS-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000266959782 352735725 /nfs/dbraw/zinc/73/57/25/352735725.db2.gz WLFJZEHHHMCIJT-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000266959782 352735729 /nfs/dbraw/zinc/73/57/29/352735729.db2.gz WLFJZEHHHMCIJT-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267656845 352781619 /nfs/dbraw/zinc/78/16/19/352781619.db2.gz LYXDTFNCIOMZIZ-CQSZACIVSA-N 1 2 284.331 0.774 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267656845 352781621 /nfs/dbraw/zinc/78/16/21/352781621.db2.gz LYXDTFNCIOMZIZ-CQSZACIVSA-N 1 2 284.331 0.774 20 30 CCEDLO N#Cc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000269919645 352885853 /nfs/dbraw/zinc/88/58/53/352885853.db2.gz MHIDHLSBYHRRLB-UHFFFAOYSA-N 1 2 286.335 0.110 20 30 CCEDLO N#Cc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000269919645 352885858 /nfs/dbraw/zinc/88/58/58/352885858.db2.gz MHIDHLSBYHRRLB-UHFFFAOYSA-N 1 2 286.335 0.110 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000270687273 352967410 /nfs/dbraw/zinc/96/74/10/352967410.db2.gz DREYNHSSESTGCG-LLVKDONJSA-N 1 2 253.346 0.253 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000270687273 352967412 /nfs/dbraw/zinc/96/74/12/352967412.db2.gz DREYNHSSESTGCG-LLVKDONJSA-N 1 2 253.346 0.253 20 30 CCEDLO C[C@@H](CO)CNc1[nH+]cnc2c1cnn2CCC#N ZINC000604558774 363204072 /nfs/dbraw/zinc/20/40/72/363204072.db2.gz QBSXRXYJOVGHLS-SECBINFHSA-N 1 2 260.301 0.780 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000280139501 353341601 /nfs/dbraw/zinc/34/16/01/353341601.db2.gz BVOUORYPOFEHNQ-UHFFFAOYSA-N 1 2 258.325 0.426 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](O)C2)nc1 ZINC000290196373 353713766 /nfs/dbraw/zinc/71/37/66/353713766.db2.gz GHVVFWBQHGHARY-LBPRGKRZSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](O)C2)nc1 ZINC000290196373 353713769 /nfs/dbraw/zinc/71/37/69/353713769.db2.gz GHVVFWBQHGHARY-LBPRGKRZSA-N 1 2 295.364 0.184 20 30 CCEDLO Cc1nsc(NC(=O)NCC[NH+]2CCOCC2)c1C#N ZINC000294245400 353882055 /nfs/dbraw/zinc/88/20/55/353882055.db2.gz PNZLBWLRYVBYFZ-UHFFFAOYSA-N 1 2 295.368 0.777 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000305991936 354170143 /nfs/dbraw/zinc/17/01/43/354170143.db2.gz JJLISNBJDLXZMS-HBNTYKKESA-N 1 2 252.314 0.315 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000305991936 354170147 /nfs/dbraw/zinc/17/01/47/354170147.db2.gz JJLISNBJDLXZMS-HBNTYKKESA-N 1 2 252.314 0.315 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000308183105 354183218 /nfs/dbraw/zinc/18/32/18/354183218.db2.gz XBIDPRQVTPNTIP-GFCCVEGCSA-N 1 2 274.372 0.568 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000308183105 354183220 /nfs/dbraw/zinc/18/32/20/354183220.db2.gz XBIDPRQVTPNTIP-GFCCVEGCSA-N 1 2 274.372 0.568 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cn1 ZINC000329940142 354275418 /nfs/dbraw/zinc/27/54/18/354275418.db2.gz UGNSBOQZFHVVJU-NEPJUHHUSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cn1 ZINC000329940142 354275419 /nfs/dbraw/zinc/27/54/19/354275419.db2.gz UGNSBOQZFHVVJU-NEPJUHHUSA-N 1 2 277.328 0.345 20 30 CCEDLO N#Cc1ccc(-c2nnc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)cc1 ZINC000332173554 354624896 /nfs/dbraw/zinc/62/48/96/354624896.db2.gz YSRQTTFGATWCDL-RYUDHWBXSA-N 1 2 286.291 0.146 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000339750569 355505243 /nfs/dbraw/zinc/50/52/43/355505243.db2.gz DPVOUXPPTRQKNY-LBPRGKRZSA-N 1 2 254.330 0.255 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000339750569 355505251 /nfs/dbraw/zinc/50/52/51/355505251.db2.gz DPVOUXPPTRQKNY-LBPRGKRZSA-N 1 2 254.330 0.255 20 30 CCEDLO Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000425272793 235279680 /nfs/dbraw/zinc/27/96/80/235279680.db2.gz XJKIPHJQWKEUIH-LLVKDONJSA-N 1 2 273.340 0.886 20 30 CCEDLO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425225503 235274900 /nfs/dbraw/zinc/27/49/00/235274900.db2.gz GLKVYUGKWZCJLN-GFCCVEGCSA-N 1 2 272.308 0.631 20 30 CCEDLO Cc1cc(N[C@H]2CC(=O)N(C3CC3)C2)c(C#N)c[nH+]1 ZINC000425237342 235275473 /nfs/dbraw/zinc/27/54/73/235275473.db2.gz RVEXPUKUWIGCFX-NSHDSACASA-N 1 2 256.309 0.859 20 30 CCEDLO Cc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)c(C#N)c[nH+]1 ZINC000425233272 235275566 /nfs/dbraw/zinc/27/55/66/235275566.db2.gz GISKKQCCDYLHSE-PWSUYJOCSA-N 1 2 260.297 0.128 20 30 CCEDLO N#Cc1ncn(CC(=O)NCCCNc2cccc[nH+]2)n1 ZINC000426769437 235343179 /nfs/dbraw/zinc/34/31/79/235343179.db2.gz IYBSJNDIFZJZPZ-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO COc1cc(C[NH+]2CCN(C(=O)CO)CC2)ccc1C#N ZINC000342846740 355757479 /nfs/dbraw/zinc/75/74/79/355757479.db2.gz ODWWWTURSPKRLL-UHFFFAOYSA-N 1 2 289.335 0.203 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NCC[NH+]1CCOCC1 ZINC000345371663 355808448 /nfs/dbraw/zinc/80/84/48/355808448.db2.gz PIAGPMZMYONDKD-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO N#Cc1csc(C[NH2+][C@H]2CCCCNC2=O)n1 ZINC000352837627 356093460 /nfs/dbraw/zinc/09/34/60/356093460.db2.gz OTADBQNQWFHRGD-VIFPVBQESA-N 1 2 250.327 0.773 20 30 CCEDLO C[C@H]([C@H](C)Nc1cc(C#N)ncn1)[NH+]1CCOCC1 ZINC000559513349 291084279 /nfs/dbraw/zinc/08/42/79/291084279.db2.gz HMLIJNWWYBAIQO-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H](Nc1cc(C#N)ncn1)[C@@H](C)[NH+]1CCOCC1 ZINC000559513344 291084418 /nfs/dbraw/zinc/08/44/18/291084418.db2.gz HMLIJNWWYBAIQO-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)s1 ZINC000353491788 356236807 /nfs/dbraw/zinc/23/68/07/356236807.db2.gz LGOQBFWGOPXRPJ-SECBINFHSA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)s1 ZINC000353491788 356236810 /nfs/dbraw/zinc/23/68/10/356236810.db2.gz LGOQBFWGOPXRPJ-SECBINFHSA-N 1 2 285.394 0.873 20 30 CCEDLO Cn1ncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000353517416 356244091 /nfs/dbraw/zinc/24/40/91/356244091.db2.gz UNSHUTIYTGEYJL-UHFFFAOYSA-N 1 2 291.355 0.132 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915252 291089735 /nfs/dbraw/zinc/08/97/35/291089735.db2.gz IJHBPFYENAFHAW-WCQYABFASA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915252 291089736 /nfs/dbraw/zinc/08/97/36/291089736.db2.gz IJHBPFYENAFHAW-WCQYABFASA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)n1cnc(C#N)n1 ZINC000619612266 366298955 /nfs/dbraw/zinc/29/89/55/366298955.db2.gz UXBQZPQLOPRREO-VXGBXAGGSA-N 1 2 299.338 0.771 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647497 366311150 /nfs/dbraw/zinc/31/11/50/366311150.db2.gz VVINLTSTFCIKKQ-SMDDNHRTSA-N 1 2 290.342 0.882 20 30 CCEDLO COCCN(CCC#N)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000619807828 366357694 /nfs/dbraw/zinc/35/76/94/366357694.db2.gz FAWSNZCNYNNWBU-UHFFFAOYSA-N 1 2 291.355 0.963 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NCC(=O)c2ccc(C#N)cc2)C1 ZINC000356160777 356714151 /nfs/dbraw/zinc/71/41/51/356714151.db2.gz BHSZLIWRSFCRKG-AWEZNQCLSA-N 1 2 287.319 0.188 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NCC(=O)c2ccc(C#N)cc2)C1 ZINC000356160777 356714154 /nfs/dbraw/zinc/71/41/54/356714154.db2.gz BHSZLIWRSFCRKG-AWEZNQCLSA-N 1 2 287.319 0.188 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCCCn2cc[nH+]c2)[nH]1 ZINC000610527933 363572587 /nfs/dbraw/zinc/57/25/87/363572587.db2.gz AOFDWHMAWVBQDR-UHFFFAOYSA-N 1 2 273.300 0.122 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000365289125 357141089 /nfs/dbraw/zinc/14/10/89/357141089.db2.gz MOOROHWROHBTMN-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000365289125 357141090 /nfs/dbraw/zinc/14/10/90/357141090.db2.gz MOOROHWROHBTMN-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO N#Cc1c(C[N@H+]2C[C@H](O)C[C@H](O)C2)cn2ccccc12 ZINC000610604567 363584140 /nfs/dbraw/zinc/58/41/40/363584140.db2.gz XFMVMFLSEYMAIC-BETUJISGSA-N 1 2 271.320 0.738 20 30 CCEDLO N#Cc1c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cn2ccccc12 ZINC000610604567 363584143 /nfs/dbraw/zinc/58/41/43/363584143.db2.gz XFMVMFLSEYMAIC-BETUJISGSA-N 1 2 271.320 0.738 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)n1C ZINC000448708364 236001381 /nfs/dbraw/zinc/00/13/81/236001381.db2.gz KMAJKOUTSLJDBD-SNVBAGLBSA-N 1 2 257.297 0.912 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000487341966 358285464 /nfs/dbraw/zinc/28/54/64/358285464.db2.gz SOTLGHLRVZJIDC-GFCCVEGCSA-N 1 2 289.401 0.320 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000487341966 358285466 /nfs/dbraw/zinc/28/54/66/358285466.db2.gz SOTLGHLRVZJIDC-GFCCVEGCSA-N 1 2 289.401 0.320 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000491339586 358294030 /nfs/dbraw/zinc/29/40/30/358294030.db2.gz RBCHRMVLLBIQLF-UHFFFAOYSA-N 1 2 258.325 0.631 20 30 CCEDLO Cn1nccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493585296 358309295 /nfs/dbraw/zinc/30/92/95/358309295.db2.gz HVVRRVJFRYAUNX-URWSZGRFSA-N 1 2 261.329 0.393 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCC(c3n[nH]c(=O)o3)CC2)C1=O ZINC000294883457 199229978 /nfs/dbraw/zinc/22/99/78/199229978.db2.gz AHQNWLDPYHQYCK-NSHDSACASA-N 1 2 292.339 0.329 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cn1C ZINC000471661231 236663467 /nfs/dbraw/zinc/66/34/67/236663467.db2.gz BGAINEMJDYIEMF-JTQLQIEISA-N 1 2 257.297 0.912 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570126930 358825506 /nfs/dbraw/zinc/82/55/06/358825506.db2.gz QCMXNOKSEFIBFU-SDDRHHMPSA-N 1 2 253.346 0.714 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570126930 358825509 /nfs/dbraw/zinc/82/55/09/358825509.db2.gz QCMXNOKSEFIBFU-SDDRHHMPSA-N 1 2 253.346 0.714 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2cccnc2)nn1 ZINC000572165250 358928055 /nfs/dbraw/zinc/92/80/55/358928055.db2.gz OWCZLDXDKLEVDL-AWEZNQCLSA-N 1 2 299.338 0.236 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036216 359297945 /nfs/dbraw/zinc/29/79/45/359297945.db2.gz PPLYGSDZPZFDPR-SECBINFHSA-N 1 2 250.327 0.571 20 30 CCEDLO Cc1nnc2n1CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992811 363643568 /nfs/dbraw/zinc/64/35/68/363643568.db2.gz LPXDDTUZIBZAFG-UHFFFAOYSA-N 1 2 254.297 0.869 20 30 CCEDLO Cc1nnc2n1CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992811 363643573 /nfs/dbraw/zinc/64/35/73/363643573.db2.gz LPXDDTUZIBZAFG-UHFFFAOYSA-N 1 2 254.297 0.869 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585801435 359279007 /nfs/dbraw/zinc/27/90/07/359279007.db2.gz SEDNFEJGRMWHBN-JTQLQIEISA-N 1 2 275.312 0.376 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585801435 359279009 /nfs/dbraw/zinc/27/90/09/359279009.db2.gz SEDNFEJGRMWHBN-JTQLQIEISA-N 1 2 275.312 0.376 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590202390 359430020 /nfs/dbraw/zinc/43/00/20/359430020.db2.gz WGQZQDZYPVGLCI-UHFFFAOYSA-N 1 2 293.367 0.778 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590202390 359430028 /nfs/dbraw/zinc/43/00/28/359430028.db2.gz WGQZQDZYPVGLCI-UHFFFAOYSA-N 1 2 293.367 0.778 20 30 CCEDLO Cc1cc(C)n(CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000589826960 359402579 /nfs/dbraw/zinc/40/25/79/359402579.db2.gz LXNOBHKJVNHEAO-CYBMUJFWSA-N 1 2 263.345 0.460 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000589827788 359403226 /nfs/dbraw/zinc/40/32/26/359403226.db2.gz DQYTVUSNXMRQRH-GFCCVEGCSA-N 1 2 294.315 0.141 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000591048928 359549976 /nfs/dbraw/zinc/54/99/76/359549976.db2.gz NGYPVXIPHKEECD-RDBSUJKOSA-N 1 2 288.347 0.915 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000591048928 359549980 /nfs/dbraw/zinc/54/99/80/359549980.db2.gz NGYPVXIPHKEECD-RDBSUJKOSA-N 1 2 288.347 0.915 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296932268 200038394 /nfs/dbraw/zinc/03/83/94/200038394.db2.gz XCEDOJFTDHZTEA-JTQLQIEISA-N 1 2 255.318 0.061 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296932268 200038396 /nfs/dbraw/zinc/03/83/96/200038396.db2.gz XCEDOJFTDHZTEA-JTQLQIEISA-N 1 2 255.318 0.061 20 30 CCEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000592084948 359752116 /nfs/dbraw/zinc/75/21/16/359752116.db2.gz QPXIFQCNAXFLFF-AWEZNQCLSA-N 1 2 295.431 0.860 20 30 CCEDLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149670 359769109 /nfs/dbraw/zinc/76/91/09/359769109.db2.gz TYTQKNAENDXWAB-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149670 359769116 /nfs/dbraw/zinc/76/91/16/359769116.db2.gz TYTQKNAENDXWAB-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO N#Cc1nc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)[nH]c1C#N ZINC000592259112 359806754 /nfs/dbraw/zinc/80/67/54/359806754.db2.gz DBGDLCWLFGUTMR-QMMMGPOBSA-N 1 2 270.296 0.481 20 30 CCEDLO C=CCOC[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)C(=O)OC ZINC000592510177 359866581 /nfs/dbraw/zinc/86/65/81/359866581.db2.gz AKJFVVNMVFTHNL-RYUDHWBXSA-N 1 2 294.355 0.259 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297719130 200268473 /nfs/dbraw/zinc/26/84/73/200268473.db2.gz BTGIAKVMXJJRGD-CYBMUJFWSA-N 1 2 286.335 0.341 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297719130 200268474 /nfs/dbraw/zinc/26/84/74/200268474.db2.gz BTGIAKVMXJJRGD-CYBMUJFWSA-N 1 2 286.335 0.341 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593103100 360039846 /nfs/dbraw/zinc/03/98/46/360039846.db2.gz ABRCFURPFSNWFF-ZYHUDNBSSA-N 1 2 250.302 0.879 20 30 CCEDLO N#Cc1cccc2c1C[N@H+](CCCN1C(=O)CNC1=O)C2 ZINC000593123814 360044388 /nfs/dbraw/zinc/04/43/88/360044388.db2.gz XCGMYXVBJLNWQM-UHFFFAOYSA-N 1 2 284.319 0.816 20 30 CCEDLO N#Cc1cccc2c1C[N@@H+](CCCN1C(=O)CNC1=O)C2 ZINC000593123814 360044392 /nfs/dbraw/zinc/04/43/92/360044392.db2.gz XCGMYXVBJLNWQM-UHFFFAOYSA-N 1 2 284.319 0.816 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000593391551 360077284 /nfs/dbraw/zinc/07/72/84/360077284.db2.gz NESLZWPMNHKVIH-UHFFFAOYSA-N 1 2 298.387 0.280 20 30 CCEDLO CC[C@@H](C#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000593451280 360091372 /nfs/dbraw/zinc/09/13/72/360091372.db2.gz KAGBFVMUBGSQGM-LBPRGKRZSA-N 1 2 291.355 0.704 20 30 CCEDLO CC[C@@H](C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000593668036 360131535 /nfs/dbraw/zinc/13/15/35/360131535.db2.gz CKZGPFXFMAVVLU-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1O ZINC000593855257 360177161 /nfs/dbraw/zinc/17/71/61/360177161.db2.gz JCMOOLXUOBOFQL-CYBMUJFWSA-N 1 2 287.319 0.155 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1O ZINC000593855257 360177164 /nfs/dbraw/zinc/17/71/64/360177164.db2.gz JCMOOLXUOBOFQL-CYBMUJFWSA-N 1 2 287.319 0.155 20 30 CCEDLO CNC(=O)CC[N@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177043733 189023114 /nfs/dbraw/zinc/02/31/14/189023114.db2.gz BKFXIHCQXHZFKM-AWEZNQCLSA-N 1 2 289.335 0.840 20 30 CCEDLO CNC(=O)CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177043733 189023115 /nfs/dbraw/zinc/02/31/15/189023115.db2.gz BKFXIHCQXHZFKM-AWEZNQCLSA-N 1 2 289.335 0.840 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)nn1 ZINC000594015314 360235783 /nfs/dbraw/zinc/23/57/83/360235783.db2.gz IYHQUCXRXRWTGT-YPMHNXCESA-N 1 2 294.355 0.210 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)nn1 ZINC000594015314 360235788 /nfs/dbraw/zinc/23/57/88/360235788.db2.gz IYHQUCXRXRWTGT-YPMHNXCESA-N 1 2 294.355 0.210 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](CC3(C#N)CC3)CCN2C1=O ZINC000611430129 363716467 /nfs/dbraw/zinc/71/64/67/363716467.db2.gz FEQCFIBONIUOBB-SNVBAGLBSA-N 1 2 262.313 0.258 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](CC3(C#N)CC3)CCN2C1=O ZINC000611430129 363716469 /nfs/dbraw/zinc/71/64/69/363716469.db2.gz FEQCFIBONIUOBB-SNVBAGLBSA-N 1 2 262.313 0.258 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](CCSC)C(=O)NC)nn1 ZINC000594953388 360426485 /nfs/dbraw/zinc/42/64/85/360426485.db2.gz ISOUQSDFBNARHN-LBPRGKRZSA-N 1 2 297.428 0.812 20 30 CCEDLO CC[N@H+](CCN1C(=O)CN(C)C1=O)C[C@@H](C)C#N ZINC000595299064 360487206 /nfs/dbraw/zinc/48/72/06/360487206.db2.gz WAZYZGWCNIIWTA-JTQLQIEISA-N 1 2 252.318 0.362 20 30 CCEDLO CC[N@@H+](CCN1C(=O)CN(C)C1=O)C[C@@H](C)C#N ZINC000595299064 360487209 /nfs/dbraw/zinc/48/72/09/360487209.db2.gz WAZYZGWCNIIWTA-JTQLQIEISA-N 1 2 252.318 0.362 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595298029 360487401 /nfs/dbraw/zinc/48/74/01/360487401.db2.gz NHAXPVLAANQECP-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595298029 360487404 /nfs/dbraw/zinc/48/74/04/360487404.db2.gz NHAXPVLAANQECP-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000595397829 360518753 /nfs/dbraw/zinc/51/87/53/360518753.db2.gz LZTXMCWVYMVVPB-KGLIPLIRSA-N 1 2 278.400 0.773 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595487859 360548830 /nfs/dbraw/zinc/54/88/30/360548830.db2.gz CSNNMGKALMABKK-VIFPVBQESA-N 1 2 265.317 0.124 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595609015 360595936 /nfs/dbraw/zinc/59/59/36/360595936.db2.gz DXFUKNOGGIXRKN-LLVKDONJSA-N 1 2 262.313 0.969 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595609015 360595937 /nfs/dbraw/zinc/59/59/37/360595937.db2.gz DXFUKNOGGIXRKN-LLVKDONJSA-N 1 2 262.313 0.969 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616265 360599189 /nfs/dbraw/zinc/59/91/89/360599189.db2.gz AHUZHHLMCAUTMT-XHDPSFHLSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616265 360599192 /nfs/dbraw/zinc/59/91/92/360599192.db2.gz AHUZHHLMCAUTMT-XHDPSFHLSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595675571 360617573 /nfs/dbraw/zinc/61/75/73/360617573.db2.gz OYXUGCPPYUMDTF-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595675571 360617577 /nfs/dbraw/zinc/61/75/77/360617577.db2.gz OYXUGCPPYUMDTF-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000595788746 360656298 /nfs/dbraw/zinc/65/62/98/360656298.db2.gz XEPNLKOIIDYWRL-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595788746 360656300 /nfs/dbraw/zinc/65/63/00/360656300.db2.gz XEPNLKOIIDYWRL-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595821650 360667505 /nfs/dbraw/zinc/66/75/05/360667505.db2.gz YNLJUAOIRSGHGZ-WDEREUQCSA-N 1 2 259.375 0.502 20 30 CCEDLO CC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595821650 360667506 /nfs/dbraw/zinc/66/75/06/360667506.db2.gz YNLJUAOIRSGHGZ-WDEREUQCSA-N 1 2 259.375 0.502 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835276 360673516 /nfs/dbraw/zinc/67/35/16/360673516.db2.gz QCZFKMWLQWIXQJ-DYEKYZERSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835276 360673521 /nfs/dbraw/zinc/67/35/21/360673521.db2.gz QCZFKMWLQWIXQJ-DYEKYZERSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000596234571 360847224 /nfs/dbraw/zinc/84/72/24/360847224.db2.gz MYTIODYZBJNSBH-GFCCVEGCSA-N 1 2 258.325 0.964 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(C#N)cnn1C ZINC000596433349 360894040 /nfs/dbraw/zinc/89/40/40/360894040.db2.gz UQWFUYISRUWLQV-MNOVXSKESA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(C#N)cnn1C ZINC000596433349 360894042 /nfs/dbraw/zinc/89/40/42/360894042.db2.gz UQWFUYISRUWLQV-MNOVXSKESA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000596893132 360975634 /nfs/dbraw/zinc/97/56/34/360975634.db2.gz FHEDOLHWLXQQHW-GXTWGEPZSA-N 1 2 297.424 0.860 20 30 CCEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(CC#N)CC1 ZINC000596994909 360992493 /nfs/dbraw/zinc/99/24/93/360992493.db2.gz KJYHJSQVRZOZMW-UHFFFAOYSA-N 1 2 259.357 0.939 20 30 CCEDLO N#CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597627358 361167096 /nfs/dbraw/zinc/16/70/96/361167096.db2.gz YUMBARFOIWZYFF-GFCCVEGCSA-N 1 2 250.346 0.186 20 30 CCEDLO N#CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597627358 361167100 /nfs/dbraw/zinc/16/71/00/361167100.db2.gz YUMBARFOIWZYFF-GFCCVEGCSA-N 1 2 250.346 0.186 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncncc2C#N)C1 ZINC000563884671 291256005 /nfs/dbraw/zinc/25/60/05/291256005.db2.gz LLQLSUGWMLGIRF-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncncc2C#N)C1 ZINC000563884671 291256006 /nfs/dbraw/zinc/25/60/06/291256006.db2.gz LLQLSUGWMLGIRF-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000597706942 361203098 /nfs/dbraw/zinc/20/30/98/361203098.db2.gz KVGGEEPYKPHFJY-ZDUSSCGKSA-N 1 2 288.351 0.823 20 30 CCEDLO CCC(CC)[C@H](C(=O)N[C@@H](C#N)CO)[NH+]1CCOCC1 ZINC000597739893 361221020 /nfs/dbraw/zinc/22/10/20/361221020.db2.gz CLRWDFMKJYFXBY-QWHCGFSZSA-N 1 2 283.372 0.124 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)[C@@H](C)CO1 ZINC000597996895 361305134 /nfs/dbraw/zinc/30/51/34/361305134.db2.gz RACYMDMIPDALHE-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)[C@@H](C)CO1 ZINC000597996895 361305137 /nfs/dbraw/zinc/30/51/37/361305137.db2.gz RACYMDMIPDALHE-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)CCC#N)CC2 ZINC000611790715 363783896 /nfs/dbraw/zinc/78/38/96/363783896.db2.gz JASPXOAHNGJSAX-UHFFFAOYSA-N 1 2 283.357 0.097 20 30 CCEDLO CC(C)(C(=O)N1CC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000598417148 361408643 /nfs/dbraw/zinc/40/86/43/361408643.db2.gz HVWKHBWDEUGQKQ-CQSZACIVSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622058 361463028 /nfs/dbraw/zinc/46/30/28/361463028.db2.gz YBTFGLSVEKNAAA-GHMZBOCLSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622058 361463032 /nfs/dbraw/zinc/46/30/32/361463032.db2.gz YBTFGLSVEKNAAA-GHMZBOCLSA-N 1 2 253.346 0.450 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@H](O)CC(C)(C)C#N)nn1 ZINC000598628070 361466883 /nfs/dbraw/zinc/46/68/83/361466883.db2.gz LOANURFFZWBUKR-LLVKDONJSA-N 1 2 251.334 0.548 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)nn1 ZINC000598628070 361466888 /nfs/dbraw/zinc/46/68/88/361466888.db2.gz LOANURFFZWBUKR-LLVKDONJSA-N 1 2 251.334 0.548 20 30 CCEDLO N#Cc1nc(NC(=O)CC[C@@H]2CCC[NH2+]C2)[nH]c1C#N ZINC000598664627 361475875 /nfs/dbraw/zinc/47/58/75/361475875.db2.gz HWLCQUGUBKSTHL-VIFPVBQESA-N 1 2 272.312 0.871 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000598596545 361453565 /nfs/dbraw/zinc/45/35/65/361453565.db2.gz SPZXHIVADSMPQA-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000598596545 361453568 /nfs/dbraw/zinc/45/35/68/361453568.db2.gz SPZXHIVADSMPQA-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944264 361536606 /nfs/dbraw/zinc/53/66/06/361536606.db2.gz LJLDSKOGSLKUML-SNVBAGLBSA-N 1 2 255.281 0.448 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000599060416 361563540 /nfs/dbraw/zinc/56/35/40/361563540.db2.gz SOMSZPCKHLCPFU-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000599060416 361563542 /nfs/dbraw/zinc/56/35/42/361563542.db2.gz SOMSZPCKHLCPFU-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000599193535 361607200 /nfs/dbraw/zinc/60/72/00/361607200.db2.gz LEXXBOHEKBJQOV-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000599193535 361607205 /nfs/dbraw/zinc/60/72/05/361607205.db2.gz LEXXBOHEKBJQOV-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO COC(=O)C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599307335 361644173 /nfs/dbraw/zinc/64/41/73/361644173.db2.gz SACMZGNFENPGEE-ZDUSSCGKSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599307335 361644180 /nfs/dbraw/zinc/64/41/80/361644180.db2.gz SACMZGNFENPGEE-ZDUSSCGKSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599393567 361683838 /nfs/dbraw/zinc/68/38/38/361683838.db2.gz JGHVTRUYMYEEJW-AAEUAGOBSA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599393567 361683845 /nfs/dbraw/zinc/68/38/45/361683845.db2.gz JGHVTRUYMYEEJW-AAEUAGOBSA-N 1 2 292.335 0.791 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419316 364599690 /nfs/dbraw/zinc/59/96/90/364599690.db2.gz OOKRRBMQHVMFKB-KBPBESRZSA-N 1 2 296.334 0.623 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419316 364599696 /nfs/dbraw/zinc/59/96/96/364599696.db2.gz OOKRRBMQHVMFKB-KBPBESRZSA-N 1 2 296.334 0.623 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000615429157 364948264 /nfs/dbraw/zinc/94/82/64/364948264.db2.gz UHHHWYZVUKAUQT-IINYFYTJSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000615429157 364948265 /nfs/dbraw/zinc/94/82/65/364948265.db2.gz UHHHWYZVUKAUQT-IINYFYTJSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H](NC(=O)N1CC[C@](F)(C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000615539892 364997721 /nfs/dbraw/zinc/99/77/21/364997721.db2.gz LRXIDYIWTYJCQW-OBJOEFQTSA-N 1 2 298.362 0.743 20 30 CCEDLO C[C@H](C(=O)N1CC[C@@](F)(C#N)C1)[NH+]1CCSCC1 ZINC000615664402 365043006 /nfs/dbraw/zinc/04/30/06/365043006.db2.gz KMSHYSCJHNPCKZ-ZYHUDNBSSA-N 1 2 271.361 0.888 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CC ZINC000615711249 365059950 /nfs/dbraw/zinc/05/99/50/365059950.db2.gz VYYGPQTZVLPKDM-LBPRGKRZSA-N 1 2 278.356 0.990 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000615635315 365028542 /nfs/dbraw/zinc/02/85/42/365028542.db2.gz PMJURKMPJTZPPR-YNEHKIRRSA-N 1 2 251.326 0.910 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000615635315 365028544 /nfs/dbraw/zinc/02/85/44/365028544.db2.gz PMJURKMPJTZPPR-YNEHKIRRSA-N 1 2 251.326 0.910 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616099873 365177439 /nfs/dbraw/zinc/17/74/39/365177439.db2.gz DVVZSSZIFJQLEO-WDEREUQCSA-N 1 2 263.341 0.958 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616099873 365177445 /nfs/dbraw/zinc/17/74/45/365177445.db2.gz DVVZSSZIFJQLEO-WDEREUQCSA-N 1 2 263.341 0.958 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616505224 365347009 /nfs/dbraw/zinc/34/70/09/365347009.db2.gz JOQMNLYSKKIYPO-GHMZBOCLSA-N 1 2 261.325 0.405 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616505224 365347022 /nfs/dbraw/zinc/34/70/22/365347022.db2.gz JOQMNLYSKKIYPO-GHMZBOCLSA-N 1 2 261.325 0.405 20 30 CCEDLO C=C[C@H](O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616509377 365348260 /nfs/dbraw/zinc/34/82/60/365348260.db2.gz ZTZOLJXOLYCPGT-LBPRGKRZSA-N 1 2 259.309 0.848 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000157865931 260864045 /nfs/dbraw/zinc/86/40/45/260864045.db2.gz HJFCICCFOCYQFP-UHFFFAOYSA-N 1 2 273.402 0.894 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632178443 370907354 /nfs/dbraw/zinc/90/73/54/370907354.db2.gz TXMSRKIBKCCIPB-LBPRGKRZSA-N 1 2 274.386 0.297 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632178443 370907357 /nfs/dbraw/zinc/90/73/57/370907357.db2.gz TXMSRKIBKCCIPB-LBPRGKRZSA-N 1 2 274.386 0.297 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330633217 203060997 /nfs/dbraw/zinc/06/09/97/203060997.db2.gz RZMNWJSFQGIGIB-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330633217 203061001 /nfs/dbraw/zinc/06/10/01/203061001.db2.gz RZMNWJSFQGIGIB-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO N#Cc1ccncc1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000574352641 335013122 /nfs/dbraw/zinc/01/31/22/335013122.db2.gz BULRNHFMDISRPK-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO N#Cc1nc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[nH]c1C#N ZINC000567350443 291476255 /nfs/dbraw/zinc/47/62/55/291476255.db2.gz HVQGBDKNPAIBKC-MADCSZMMSA-N 1 2 256.269 0.091 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2snnc2C)CC1 ZINC000276518695 193365158 /nfs/dbraw/zinc/36/51/58/193365158.db2.gz SJTQEOYRSBPPTM-UHFFFAOYSA-N 1 2 264.354 0.628 20 30 CCEDLO C=CCC(C)(C)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632363896 371007899 /nfs/dbraw/zinc/00/78/99/371007899.db2.gz CWDNPEHAVAUPQZ-LBPRGKRZSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCC(C)(C)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632363896 371007907 /nfs/dbraw/zinc/00/79/07/371007907.db2.gz CWDNPEHAVAUPQZ-LBPRGKRZSA-N 1 2 290.429 0.839 20 30 CCEDLO C[C@@]([NH2+]CC(=O)NCC#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177392210 261352774 /nfs/dbraw/zinc/35/27/74/261352774.db2.gz UQJOKIFJXJSKSQ-ZDUSSCGKSA-N 1 2 294.742 0.270 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(CC)C2=O)nn1 ZINC000641085824 376760979 /nfs/dbraw/zinc/76/09/79/376760979.db2.gz PCVIOAZGIFYXBR-GFCCVEGCSA-N 1 2 261.329 0.184 20 30 CCEDLO C=C(C)CCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000641069618 376736300 /nfs/dbraw/zinc/73/63/00/376736300.db2.gz LLCXTPMISCPLQW-NSHDSACASA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn(C(C)(C)C)nn2)nn1 ZINC000641152833 376817057 /nfs/dbraw/zinc/81/70/57/376817057.db2.gz RAMZUOMBFDMHTR-UHFFFAOYSA-N 1 2 287.371 0.786 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2csnn2)nn1 ZINC000641177141 376846839 /nfs/dbraw/zinc/84/68/39/376846839.db2.gz FNAKPORRCKOKSO-VIFPVBQESA-N 1 2 262.342 0.852 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178749 376850645 /nfs/dbraw/zinc/85/06/45/376850645.db2.gz AZVWDLAEKFMGJW-VIFPVBQESA-N 1 2 259.317 0.427 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178749 376850653 /nfs/dbraw/zinc/85/06/53/376850653.db2.gz AZVWDLAEKFMGJW-VIFPVBQESA-N 1 2 259.317 0.427 20 30 CCEDLO C=CCCn1cc(Cn2cc(C[NH2+]CC#CC)nn2)nn1 ZINC000641182150 376853219 /nfs/dbraw/zinc/85/32/19/376853219.db2.gz LHXBQCXXBSCXTA-UHFFFAOYSA-N 1 2 285.355 0.607 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)Cc2ccccc2)nn1 ZINC000641211612 376888684 /nfs/dbraw/zinc/88/86/84/376888684.db2.gz YYOCBMVWMXMTOU-MRXNPFEDSA-N 1 2 284.363 0.995 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641212953 376892515 /nfs/dbraw/zinc/89/25/15/376892515.db2.gz VJSXQCZWHMZEQO-LBPRGKRZSA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641212953 376892525 /nfs/dbraw/zinc/89/25/25/376892525.db2.gz VJSXQCZWHMZEQO-LBPRGKRZSA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c1C ZINC000278733293 194127964 /nfs/dbraw/zinc/12/79/64/194127964.db2.gz LGIPVLVVUROXGT-HUUCEWRRSA-N 1 2 278.352 0.511 20 30 CCEDLO C=CCCn1cc(CNCCC[NH+]2CCOCC2)nn1 ZINC000657286021 412952695 /nfs/dbraw/zinc/95/26/95/412952695.db2.gz LTUSCXOMGZZJIV-UHFFFAOYSA-N 1 2 279.388 0.666 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2nc(C)cc(C#N)n2)CC1 ZINC000281064744 195089251 /nfs/dbraw/zinc/08/92/51/195089251.db2.gz ZLNZCRJHENFZJO-UHFFFAOYSA-N 1 2 288.355 0.233 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN1CCCCCCC1=O ZINC000574881232 335055095 /nfs/dbraw/zinc/05/50/95/335055095.db2.gz TUBDVIDLZNBXQT-HNNXBMFYSA-N 1 2 294.399 0.739 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184553594 388775706 /nfs/dbraw/zinc/77/57/06/388775706.db2.gz SBQGKEVLDNYLRP-QWRGUYRKSA-N 1 2 250.298 0.695 20 30 CCEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000025865905 388817308 /nfs/dbraw/zinc/81/73/08/388817308.db2.gz ITRKUDTVWKEYCZ-AWEZNQCLSA-N 1 2 276.336 0.825 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000048919524 388910477 /nfs/dbraw/zinc/91/04/77/388910477.db2.gz DKCGOMMVOQCWQT-CQSZACIVSA-N 1 2 297.424 0.860 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000066566737 388945212 /nfs/dbraw/zinc/94/52/12/388945212.db2.gz JCPDWOUCPCUQMW-HUUCEWRRSA-N 1 2 277.412 0.932 20 30 CCEDLO C#CC[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292305641 388948004 /nfs/dbraw/zinc/94/80/04/388948004.db2.gz AUVMFARBHUMYBU-UHFFFAOYSA-N 1 2 282.351 0.916 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069609231 388950693 /nfs/dbraw/zinc/95/06/93/388950693.db2.gz XHFGWANQASFDFA-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069609231 388950695 /nfs/dbraw/zinc/95/06/95/388950695.db2.gz XHFGWANQASFDFA-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293301813 388981250 /nfs/dbraw/zinc/98/12/50/388981250.db2.gz WMTORDOYWGQJIJ-GFCCVEGCSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293301813 388981251 /nfs/dbraw/zinc/98/12/51/388981251.db2.gz WMTORDOYWGQJIJ-GFCCVEGCSA-N 1 2 260.341 0.871 20 30 CCEDLO C=CCC(C)(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000293620178 388985321 /nfs/dbraw/zinc/98/53/21/388985321.db2.gz STAIYADHKYARIN-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CCC(C)(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000293620178 388985324 /nfs/dbraw/zinc/98/53/24/388985324.db2.gz STAIYADHKYARIN-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000076185820 388985996 /nfs/dbraw/zinc/98/59/96/388985996.db2.gz IOIPAFNTQPPVGF-TZMCWYRMSA-N 1 2 278.352 0.259 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000192221683 389028597 /nfs/dbraw/zinc/02/85/97/389028597.db2.gz WVQALCMSQDTHOJ-NWDGAFQWSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000192221683 389028600 /nfs/dbraw/zinc/02/86/00/389028600.db2.gz WVQALCMSQDTHOJ-NWDGAFQWSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000192238805 389029086 /nfs/dbraw/zinc/02/90/86/389029086.db2.gz IIBLZZNNPJNEKU-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000192238805 389029092 /nfs/dbraw/zinc/02/90/92/389029092.db2.gz IIBLZZNNPJNEKU-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000192228829 389029726 /nfs/dbraw/zinc/02/97/26/389029726.db2.gz FYXZUBXWYYIBHA-NSHDSACASA-N 1 2 273.336 0.938 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000192228829 389029731 /nfs/dbraw/zinc/02/97/31/389029731.db2.gz FYXZUBXWYYIBHA-NSHDSACASA-N 1 2 273.336 0.938 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000337203304 389055160 /nfs/dbraw/zinc/05/51/60/389055160.db2.gz HPESFBMWLMPOPX-CHWSQXEVSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000337203304 389055164 /nfs/dbraw/zinc/05/51/64/389055164.db2.gz HPESFBMWLMPOPX-CHWSQXEVSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OC)[C@H](C)CC ZINC000337228218 389057472 /nfs/dbraw/zinc/05/74/72/389057472.db2.gz GUIGSIKPWFVINJ-SNVBAGLBSA-N 1 2 285.344 0.272 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OC)[C@H](C)CC ZINC000337228218 389057473 /nfs/dbraw/zinc/05/74/73/389057473.db2.gz GUIGSIKPWFVINJ-SNVBAGLBSA-N 1 2 285.344 0.272 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000102930236 389075858 /nfs/dbraw/zinc/07/58/58/389075858.db2.gz IMQUUMVXTACVCE-UHFFFAOYSA-N 1 2 277.412 0.932 20 30 CCEDLO COc1cc(OC[C@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000193766136 389079321 /nfs/dbraw/zinc/07/93/21/389079321.db2.gz DKQRGNJAMAABQY-CYBMUJFWSA-N 1 2 292.335 0.639 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358291914 389147352 /nfs/dbraw/zinc/14/73/52/389147352.db2.gz USXAYMYWUXXUIX-ZJUUUORDSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358291914 389147354 /nfs/dbraw/zinc/14/73/54/389147354.db2.gz USXAYMYWUXXUIX-ZJUUUORDSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111274679 389104087 /nfs/dbraw/zinc/10/40/87/389104087.db2.gz OWIDYCSIUYYDTG-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111274679 389104089 /nfs/dbraw/zinc/10/40/89/389104089.db2.gz OWIDYCSIUYYDTG-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO Cc1cc(=NC(=O)CCc2[nH]cc[nH+]2)[nH]n1CCC#N ZINC000355731754 389116065 /nfs/dbraw/zinc/11/60/65/389116065.db2.gz NZFJENDBVUHPMT-UHFFFAOYSA-N 1 2 272.312 0.822 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(CCOCCC#N)CC1 ZINC000338891206 389118446 /nfs/dbraw/zinc/11/84/46/389118446.db2.gz FFJGEKPVODXLMN-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000339048043 389123105 /nfs/dbraw/zinc/12/31/05/389123105.db2.gz TWKRQRXXNKAHPM-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000339048043 389123107 /nfs/dbraw/zinc/12/31/07/389123107.db2.gz TWKRQRXXNKAHPM-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCOCCC#N)C[C@H](C)O1 ZINC000339173357 389127363 /nfs/dbraw/zinc/12/73/63/389127363.db2.gz RVXHRPJUMLKPDR-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCOCCC#N)C[C@H](C)O1 ZINC000339173357 389127365 /nfs/dbraw/zinc/12/73/65/389127365.db2.gz RVXHRPJUMLKPDR-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO CC(C)(C(=O)NCCN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000328676617 389131174 /nfs/dbraw/zinc/13/11/74/389131174.db2.gz LPMHKBOJEUVFBY-UHFFFAOYSA-N 1 2 298.387 0.326 20 30 CCEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000357383460 389134163 /nfs/dbraw/zinc/13/41/63/389134163.db2.gz UZDNNEUZZAIXLY-ZDUSSCGKSA-N 1 2 282.340 0.540 20 30 CCEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000357383460 389134165 /nfs/dbraw/zinc/13/41/65/389134165.db2.gz UZDNNEUZZAIXLY-ZDUSSCGKSA-N 1 2 282.340 0.540 20 30 CCEDLO CNC(=O)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000328745292 389135754 /nfs/dbraw/zinc/13/57/54/389135754.db2.gz ABTNERFOQKNXAP-UHFFFAOYSA-N 1 2 250.302 0.397 20 30 CCEDLO CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCOCC1 ZINC000328780152 389137877 /nfs/dbraw/zinc/13/78/77/389137877.db2.gz GZAGVKQKSKGIFH-GFCCVEGCSA-N 1 2 271.361 0.342 20 30 CCEDLO CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCOCC1 ZINC000328780152 389137879 /nfs/dbraw/zinc/13/78/79/389137879.db2.gz GZAGVKQKSKGIFH-GFCCVEGCSA-N 1 2 271.361 0.342 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](CCOCC)CC1 ZINC000120502572 389142732 /nfs/dbraw/zinc/14/27/32/389142732.db2.gz PHMFFZWCFJBVDH-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCOC3)C[C@@H]21 ZINC000329631466 389179362 /nfs/dbraw/zinc/17/93/62/389179362.db2.gz VWVRYOVFWHOHDA-FRRDWIJNSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCOC3)C[C@@H]21 ZINC000329631466 389179363 /nfs/dbraw/zinc/17/93/63/389179363.db2.gz VWVRYOVFWHOHDA-FRRDWIJNSA-N 1 2 283.372 0.342 20 30 CCEDLO CCC(=O)N1CC[C@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1 ZINC000329665985 389185208 /nfs/dbraw/zinc/18/52/08/389185208.db2.gz QCZAJMGIBSXWGV-NSHDSACASA-N 1 2 291.355 0.624 20 30 CCEDLO CCC(=O)N1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329665985 389185211 /nfs/dbraw/zinc/18/52/11/389185211.db2.gz QCZAJMGIBSXWGV-NSHDSACASA-N 1 2 291.355 0.624 20 30 CCEDLO Cn1nncc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000329799111 389202203 /nfs/dbraw/zinc/20/22/03/389202203.db2.gz HDYCWYJFTYVDTM-UHFFFAOYSA-N 1 2 278.341 0.896 20 30 CCEDLO Cn1nncc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000329799111 389202204 /nfs/dbraw/zinc/20/22/04/389202204.db2.gz HDYCWYJFTYVDTM-UHFFFAOYSA-N 1 2 278.341 0.896 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@]2(C)CCCOC2)C1 ZINC000329153721 389151322 /nfs/dbraw/zinc/15/13/22/389151322.db2.gz UIPMNMHGKAGQNN-TZMCWYRMSA-N 1 2 284.404 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@]2(C)CCCOC2)C1 ZINC000329153721 389151324 /nfs/dbraw/zinc/15/13/24/389151324.db2.gz UIPMNMHGKAGQNN-TZMCWYRMSA-N 1 2 284.404 0.305 20 30 CCEDLO Cn1[nH]c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)nc1=O ZINC000329279910 389153610 /nfs/dbraw/zinc/15/36/10/389153610.db2.gz LUVVTPMGYGZBHI-VIFPVBQESA-N 1 2 265.317 0.192 20 30 CCEDLO Cn1[nH]c(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)nc1=O ZINC000329279910 389153613 /nfs/dbraw/zinc/15/36/13/389153613.db2.gz LUVVTPMGYGZBHI-VIFPVBQESA-N 1 2 265.317 0.192 20 30 CCEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC000329283124 389154474 /nfs/dbraw/zinc/15/44/74/389154474.db2.gz FOELTNVQCXCUDL-CHWSQXEVSA-N 1 2 285.388 0.732 20 30 CCEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC000329283124 389154476 /nfs/dbraw/zinc/15/44/76/389154476.db2.gz FOELTNVQCXCUDL-CHWSQXEVSA-N 1 2 285.388 0.732 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H]2CCCCO2)C1 ZINC000329441829 389164344 /nfs/dbraw/zinc/16/43/44/389164344.db2.gz LBSKUJOPVQCWSM-CHWSQXEVSA-N 1 2 284.404 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H]2CCCCO2)C1 ZINC000329441829 389164347 /nfs/dbraw/zinc/16/43/47/389164347.db2.gz LBSKUJOPVQCWSM-CHWSQXEVSA-N 1 2 284.404 0.305 20 30 CCEDLO C=CCCOCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359170805 389168351 /nfs/dbraw/zinc/16/83/51/389168351.db2.gz BDQCSAURKUOATO-LLVKDONJSA-N 1 2 278.312 0.465 20 30 CCEDLO C=CCCOCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359170805 389168353 /nfs/dbraw/zinc/16/83/53/389168353.db2.gz BDQCSAURKUOATO-LLVKDONJSA-N 1 2 278.312 0.465 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000329539238 389169400 /nfs/dbraw/zinc/16/94/00/389169400.db2.gz CJDYUTWICAULJE-SECBINFHSA-N 1 2 265.317 0.045 20 30 CCEDLO Cn1cc(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)cn1 ZINC000329541784 389169783 /nfs/dbraw/zinc/16/97/83/389169783.db2.gz DPLNINAAYBSHIG-UHFFFAOYSA-N 1 2 260.301 0.546 20 30 CCEDLO C=CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000359385457 389172135 /nfs/dbraw/zinc/17/21/35/389172135.db2.gz VRTRQQGGFMABRR-UHFFFAOYSA-N 1 2 280.372 0.371 20 30 CCEDLO C=CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000359385457 389172136 /nfs/dbraw/zinc/17/21/36/389172136.db2.gz VRTRQQGGFMABRR-UHFFFAOYSA-N 1 2 280.372 0.371 20 30 CCEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCCCO ZINC000127389890 389174753 /nfs/dbraw/zinc/17/47/53/389174753.db2.gz ZMDPOXRJXYKWLD-UHFFFAOYSA-N 1 2 292.383 0.480 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC)cc2)CC1 ZINC000128329180 389176432 /nfs/dbraw/zinc/17/64/32/389176432.db2.gz NWATZLLMODPXEN-UHFFFAOYSA-N 1 2 288.347 0.851 20 30 CCEDLO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)Nc1ccccc1 ZINC000330581822 389243556 /nfs/dbraw/zinc/24/35/56/389243556.db2.gz UNGZKCXRUWFQEY-JQWIXIFHSA-N 1 2 295.314 0.753 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)Nc1ccccc1 ZINC000330581822 389243558 /nfs/dbraw/zinc/24/35/58/389243558.db2.gz UNGZKCXRUWFQEY-JQWIXIFHSA-N 1 2 295.314 0.753 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C)c1 ZINC000330624507 389247292 /nfs/dbraw/zinc/24/72/92/389247292.db2.gz RLJAASBZKLYYKZ-JTQLQIEISA-N 1 2 252.318 0.445 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(C)c1 ZINC000330624507 389247294 /nfs/dbraw/zinc/24/72/94/389247294.db2.gz RLJAASBZKLYYKZ-JTQLQIEISA-N 1 2 252.318 0.445 20 30 CCEDLO COCCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330647515 389248948 /nfs/dbraw/zinc/24/89/48/389248948.db2.gz VJNZDKXQQRAFRE-NEPJUHHUSA-N 1 2 273.377 0.588 20 30 CCEDLO C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1O ZINC000330645196 389249098 /nfs/dbraw/zinc/24/90/98/389249098.db2.gz YPYGKNMWCFBMJN-NEPJUHHUSA-N 1 2 266.345 0.890 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+]CCCn2cc[nH+]c2)C[C@@H]1O ZINC000330645196 389249099 /nfs/dbraw/zinc/24/90/99/389249099.db2.gz YPYGKNMWCFBMJN-NEPJUHHUSA-N 1 2 266.345 0.890 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248801385 389250071 /nfs/dbraw/zinc/25/00/71/389250071.db2.gz FZZVRXNRARBNGX-GVXVVHGQSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248801385 389250074 /nfs/dbraw/zinc/25/00/74/389250074.db2.gz FZZVRXNRARBNGX-GVXVVHGQSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248868826 389250506 /nfs/dbraw/zinc/25/05/06/389250506.db2.gz BIDKMGNLPOHAIE-BXUZGUMPSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248868826 389250508 /nfs/dbraw/zinc/25/05/08/389250508.db2.gz BIDKMGNLPOHAIE-BXUZGUMPSA-N 1 2 283.372 0.888 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363832729 389255111 /nfs/dbraw/zinc/25/51/11/389255111.db2.gz ZWSMWXPACSGEAZ-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363832729 389255112 /nfs/dbraw/zinc/25/51/12/389255112.db2.gz ZWSMWXPACSGEAZ-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1F ZINC000330947620 389260323 /nfs/dbraw/zinc/26/03/23/389260323.db2.gz GGIFZAXVXXMGPY-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1F ZINC000330947620 389260326 /nfs/dbraw/zinc/26/03/26/389260326.db2.gz GGIFZAXVXXMGPY-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO Cc1cc(CC(=O)NC[C@H]2C[N@H+](C)CCO2)no1 ZINC000329871935 389207991 /nfs/dbraw/zinc/20/79/91/389207991.db2.gz BBUGAPNMWHGSFR-NSHDSACASA-N 1 2 253.302 0.813 20 30 CCEDLO Cc1cc(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)no1 ZINC000329871935 389207993 /nfs/dbraw/zinc/20/79/93/389207993.db2.gz BBUGAPNMWHGSFR-NSHDSACASA-N 1 2 253.302 0.813 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342299410 389207999 /nfs/dbraw/zinc/20/79/99/389207999.db2.gz ZPYYEXPNUMLMDQ-GUTXKFCHSA-N 1 2 282.384 0.635 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000329923438 389211497 /nfs/dbraw/zinc/21/14/97/389211497.db2.gz UJSUYPBDOZMLSR-GHMZBOCLSA-N 1 2 296.396 0.614 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000329923438 389211498 /nfs/dbraw/zinc/21/14/98/389211498.db2.gz UJSUYPBDOZMLSR-GHMZBOCLSA-N 1 2 296.396 0.614 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330239516 389218671 /nfs/dbraw/zinc/21/86/71/389218671.db2.gz DTIKJIJGHPRPHH-ZJUUUORDSA-N 1 2 297.384 0.275 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330239516 389218674 /nfs/dbraw/zinc/21/86/74/389218674.db2.gz DTIKJIJGHPRPHH-ZJUUUORDSA-N 1 2 297.384 0.275 20 30 CCEDLO Cc1ccc(C[N@H+](CCO)CC(=O)NCC#N)o1 ZINC000361530728 389219457 /nfs/dbraw/zinc/21/94/57/389219457.db2.gz KWBWQPNVZUEVRQ-UHFFFAOYSA-N 1 2 251.286 0.022 20 30 CCEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)NCC#N)o1 ZINC000361530728 389219459 /nfs/dbraw/zinc/21/94/59/389219459.db2.gz KWBWQPNVZUEVRQ-UHFFFAOYSA-N 1 2 251.286 0.022 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000342528640 389220119 /nfs/dbraw/zinc/22/01/19/389220119.db2.gz OZJMYHYJRMISSF-GFCCVEGCSA-N 1 2 290.367 0.818 20 30 CCEDLO CC[C@H](CC#N)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361814052 389225054 /nfs/dbraw/zinc/22/50/54/389225054.db2.gz LVZIOPBWSDBMEV-GFCCVEGCSA-N 1 2 289.401 0.320 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000330401686 389225265 /nfs/dbraw/zinc/22/52/65/389225265.db2.gz UWWLFFUAHBFZEI-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000330401686 389225267 /nfs/dbraw/zinc/22/52/67/389225267.db2.gz UWWLFFUAHBFZEI-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000330401687 389225272 /nfs/dbraw/zinc/22/52/72/389225272.db2.gz UWWLFFUAHBFZEI-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000330401687 389225274 /nfs/dbraw/zinc/22/52/74/389225274.db2.gz UWWLFFUAHBFZEI-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246639324 389230866 /nfs/dbraw/zinc/23/08/66/389230866.db2.gz OUAHEKREJHIZGT-WDEREUQCSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246639324 389230869 /nfs/dbraw/zinc/23/08/69/389230869.db2.gz OUAHEKREJHIZGT-WDEREUQCSA-N 1 2 251.330 0.032 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330461056 389231526 /nfs/dbraw/zinc/23/15/26/389231526.db2.gz WGRNTRHGAPDRRJ-DZGCQCFKSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330461056 389231528 /nfs/dbraw/zinc/23/15/28/389231528.db2.gz WGRNTRHGAPDRRJ-DZGCQCFKSA-N 1 2 294.399 0.641 20 30 CCEDLO CCn1nncc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330474860 389233671 /nfs/dbraw/zinc/23/36/71/389233671.db2.gz DVJRONYFRAYNJF-GHMZBOCLSA-N 1 2 281.360 0.712 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133433406 389235023 /nfs/dbraw/zinc/23/50/23/389235023.db2.gz UZJKQVJHTBJOOY-OLZOCXBDSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133433406 389235025 /nfs/dbraw/zinc/23/50/25/389235025.db2.gz UZJKQVJHTBJOOY-OLZOCXBDSA-N 1 2 292.383 0.492 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525965 389238554 /nfs/dbraw/zinc/23/85/54/389238554.db2.gz KLNXPJMZPQAPCZ-STQMWFEESA-N 1 2 297.399 0.873 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525965 389238555 /nfs/dbraw/zinc/23/85/55/389238555.db2.gz KLNXPJMZPQAPCZ-STQMWFEESA-N 1 2 297.399 0.873 20 30 CCEDLO C[C@@H](CO)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330548129 389240024 /nfs/dbraw/zinc/24/00/24/389240024.db2.gz VVZZANMVSYWDLY-ZETCQYMHSA-N 1 2 280.250 0.830 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000345711547 389312849 /nfs/dbraw/zinc/31/28/49/389312849.db2.gz MYKVKBLMMBNQQR-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000345711547 389312851 /nfs/dbraw/zinc/31/28/51/389312851.db2.gz MYKVKBLMMBNQQR-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264260605 389316430 /nfs/dbraw/zinc/31/64/30/389316430.db2.gz CYKMQRJBVHNFEZ-UHFFFAOYSA-N 1 2 291.355 0.704 20 30 CCEDLO C[S@](=O)CCCNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330998531 389278016 /nfs/dbraw/zinc/27/80/16/389278016.db2.gz VKHLOWUMGAWMLO-YBTHPKLGSA-N 1 2 298.412 0.718 20 30 CCEDLO C[S@](=O)CCCNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000330998531 389278019 /nfs/dbraw/zinc/27/80/19/389278019.db2.gz VKHLOWUMGAWMLO-YBTHPKLGSA-N 1 2 298.412 0.718 20 30 CCEDLO C[S@](=O)CCC[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330998531 389278022 /nfs/dbraw/zinc/27/80/22/389278022.db2.gz VKHLOWUMGAWMLO-YBTHPKLGSA-N 1 2 298.412 0.718 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366429309 389301672 /nfs/dbraw/zinc/30/16/72/389301672.db2.gz DZLIVMXJLYMOGP-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366429309 389301676 /nfs/dbraw/zinc/30/16/76/389301676.db2.gz DZLIVMXJLYMOGP-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272636136 389470008 /nfs/dbraw/zinc/47/00/08/389470008.db2.gz WUOZFKMAYQAAMP-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272636136 389470012 /nfs/dbraw/zinc/47/00/12/389470012.db2.gz WUOZFKMAYQAAMP-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412073387 389474187 /nfs/dbraw/zinc/47/41/87/389474187.db2.gz LUBLSBWNQIOMNN-MELADBBJSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412073387 389474189 /nfs/dbraw/zinc/47/41/89/389474189.db2.gz LUBLSBWNQIOMNN-MELADBBJSA-N 1 2 284.400 0.881 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCO[C@@H](C#N)C1 ZINC000171605504 389477610 /nfs/dbraw/zinc/47/76/10/389477610.db2.gz DJKXXOKZWXQDGE-LBPRGKRZSA-N 1 2 296.371 0.031 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCO[C@@H](C#N)C1 ZINC000171605504 389477612 /nfs/dbraw/zinc/47/76/12/389477612.db2.gz DJKXXOKZWXQDGE-LBPRGKRZSA-N 1 2 296.371 0.031 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000350084743 389485228 /nfs/dbraw/zinc/48/52/28/389485228.db2.gz QFEHWDUJRCMBOS-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000350084743 389485230 /nfs/dbraw/zinc/48/52/30/389485230.db2.gz QFEHWDUJRCMBOS-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CSCC#N)CC2)S1 ZINC000174404550 389520964 /nfs/dbraw/zinc/52/09/64/389520964.db2.gz PXLVVBFPQJNFCL-SNVBAGLBSA-N 1 2 298.437 0.879 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@]3(CCSC3)C2)C1=O ZINC000335408111 389554099 /nfs/dbraw/zinc/55/40/99/389554099.db2.gz MVZZWSSYVBCDAC-GXTWGEPZSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@]3(CCSC3)C2)C1=O ZINC000335408111 389554104 /nfs/dbraw/zinc/55/41/04/389554104.db2.gz MVZZWSSYVBCDAC-GXTWGEPZSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)c(O)co2)C1=O ZINC000281333276 389614267 /nfs/dbraw/zinc/61/42/67/389614267.db2.gz MBAOAHZLMMTXGB-LLVKDONJSA-N 1 2 278.308 0.564 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)c(O)co2)C1=O ZINC000281333276 389614273 /nfs/dbraw/zinc/61/42/73/389614273.db2.gz MBAOAHZLMMTXGB-LLVKDONJSA-N 1 2 278.308 0.564 20 30 CCEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000351607674 389632795 /nfs/dbraw/zinc/63/27/95/389632795.db2.gz JYNTZPSXWGCBLU-LLVKDONJSA-N 1 2 278.356 0.101 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(CC=C)C2=O)CC1 ZINC000281968817 389641111 /nfs/dbraw/zinc/64/11/11/389641111.db2.gz KYEUNEVJZNVGNV-AWEZNQCLSA-N 1 2 261.369 0.414 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280134354 389597989 /nfs/dbraw/zinc/59/79/89/389597989.db2.gz QSPAXIZUFDQNKB-CHWSQXEVSA-N 1 2 291.399 0.399 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280134354 389597990 /nfs/dbraw/zinc/59/79/90/389597990.db2.gz QSPAXIZUFDQNKB-CHWSQXEVSA-N 1 2 291.399 0.399 20 30 CCEDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000374661449 389598276 /nfs/dbraw/zinc/59/82/76/389598276.db2.gz HWWUSNUKPQWSCP-LBPRGKRZSA-N 1 2 275.356 0.768 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCNC3=O)CC2)c(F)c1 ZINC000178195866 389599591 /nfs/dbraw/zinc/59/95/91/389599591.db2.gz YBUHSUWMFNSDOK-AWEZNQCLSA-N 1 2 288.326 0.708 20 30 CCEDLO CCC1(CC)CC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414114764 389600599 /nfs/dbraw/zinc/60/05/99/389600599.db2.gz UCLHPOGLVOFYEO-LBPRGKRZSA-N 1 2 295.383 0.758 20 30 CCEDLO CCC1(CC)CC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414114764 389600601 /nfs/dbraw/zinc/60/06/01/389600601.db2.gz UCLHPOGLVOFYEO-LBPRGKRZSA-N 1 2 295.383 0.758 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000428881312 389724890 /nfs/dbraw/zinc/72/48/90/389724890.db2.gz MMWZJPTYRQVGIG-LBPRGKRZSA-N 1 2 279.300 0.554 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000428881312 389724892 /nfs/dbraw/zinc/72/48/92/389724892.db2.gz MMWZJPTYRQVGIG-LBPRGKRZSA-N 1 2 279.300 0.554 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000351682878 389656246 /nfs/dbraw/zinc/65/62/46/389656246.db2.gz LXTIMCPDFVCHLA-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416655825 389763780 /nfs/dbraw/zinc/76/37/80/389763780.db2.gz DOTYMIFAXJOXPH-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416655825 389763781 /nfs/dbraw/zinc/76/37/81/389763781.db2.gz DOTYMIFAXJOXPH-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO N#CCC[N@@H+](CCN1CCCS1(=O)=O)CC1CC1 ZINC000336693993 262380647 /nfs/dbraw/zinc/38/06/47/262380647.db2.gz DEYJFNNMODGROI-UHFFFAOYSA-N 1 2 271.386 0.648 20 30 CCEDLO N#CCC[N@H+](CCN1CCCS1(=O)=O)CC1CC1 ZINC000336693993 262380648 /nfs/dbraw/zinc/38/06/48/262380648.db2.gz DEYJFNNMODGROI-UHFFFAOYSA-N 1 2 271.386 0.648 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430256389 389789749 /nfs/dbraw/zinc/78/97/49/389789749.db2.gz KLLXLEDUSLFSAQ-BZPMIXESSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430256389 389789751 /nfs/dbraw/zinc/78/97/51/389789751.db2.gz KLLXLEDUSLFSAQ-BZPMIXESSA-N 1 2 281.356 0.285 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376351008 389733997 /nfs/dbraw/zinc/73/39/97/389733997.db2.gz SESAYLDILCMOOX-GFCCVEGCSA-N 1 2 281.381 0.953 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000352414375 389806879 /nfs/dbraw/zinc/80/68/79/389806879.db2.gz UFFVMNZOPOHDKI-UWVGGRQHSA-N 1 2 271.342 0.714 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352439186 389811067 /nfs/dbraw/zinc/81/10/67/389811067.db2.gz OPWHVPUXSLQLQF-GOEBONIOSA-N 1 2 297.443 0.967 20 30 CCEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451611 389813323 /nfs/dbraw/zinc/81/33/23/389813323.db2.gz YGKXEPGIGQRBEE-RYUDHWBXSA-N 1 2 283.347 0.998 20 30 CCEDLO N#CC1(F)CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000352458418 389813784 /nfs/dbraw/zinc/81/37/84/389813784.db2.gz KFFUTZSTFHITPK-UHFFFAOYSA-N 1 2 289.314 0.824 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C1 ZINC000352597944 389832618 /nfs/dbraw/zinc/83/26/18/389832618.db2.gz UIHXAUZYQBTQNT-NEPJUHHUSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C1 ZINC000352597944 389832621 /nfs/dbraw/zinc/83/26/21/389832621.db2.gz UIHXAUZYQBTQNT-NEPJUHHUSA-N 1 2 288.417 0.349 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352898434 389840134 /nfs/dbraw/zinc/84/01/34/389840134.db2.gz FTTMJJCRLONOFQ-LBPRGKRZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352898434 389840139 /nfs/dbraw/zinc/84/01/39/389840139.db2.gz FTTMJJCRLONOFQ-LBPRGKRZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444802131 389919349 /nfs/dbraw/zinc/91/93/49/389919349.db2.gz LZGMYUCKSZLNAA-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444802131 389919351 /nfs/dbraw/zinc/91/93/51/389919351.db2.gz LZGMYUCKSZLNAA-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC#N)C1 ZINC000440502650 390038031 /nfs/dbraw/zinc/03/80/31/390038031.db2.gz GQGJQZWTUDZJJU-ZDUSSCGKSA-N 1 2 253.346 0.906 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000438711805 390010070 /nfs/dbraw/zinc/01/00/70/390010070.db2.gz GUSKMMXFGBFZFA-CHWSQXEVSA-N 1 2 298.412 0.691 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000438711805 390010071 /nfs/dbraw/zinc/01/00/71/390010071.db2.gz GUSKMMXFGBFZFA-CHWSQXEVSA-N 1 2 298.412 0.691 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1cncc(C#N)n1 ZINC000420586802 390014344 /nfs/dbraw/zinc/01/43/44/390014344.db2.gz POANIPJFNGTBAP-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1cncc(C#N)n1 ZINC000420586802 390014347 /nfs/dbraw/zinc/01/43/47/390014347.db2.gz POANIPJFNGTBAP-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2CN(C)C(=O)O2)n1 ZINC000491069610 390109568 /nfs/dbraw/zinc/10/95/68/390109568.db2.gz XHCFWCCEJGLKLT-CYBMUJFWSA-N 1 2 276.340 0.789 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CN(C)C(=O)O2)n1 ZINC000491069610 390109569 /nfs/dbraw/zinc/10/95/69/390109569.db2.gz XHCFWCCEJGLKLT-CYBMUJFWSA-N 1 2 276.340 0.789 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494031242 390141864 /nfs/dbraw/zinc/14/18/64/390141864.db2.gz CKRXGCBPFRNUHL-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494031242 390141867 /nfs/dbraw/zinc/14/18/67/390141867.db2.gz CKRXGCBPFRNUHL-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000644193071 390160186 /nfs/dbraw/zinc/16/01/86/390160186.db2.gz NQJFLXUFADJEPH-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000644193071 390160187 /nfs/dbraw/zinc/16/01/87/390160187.db2.gz NQJFLXUFADJEPH-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000494660046 390190642 /nfs/dbraw/zinc/19/06/42/390190642.db2.gz DPPTXFXSUBUFAM-QWHCGFSZSA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000494660046 390190644 /nfs/dbraw/zinc/19/06/44/390190644.db2.gz DPPTXFXSUBUFAM-QWHCGFSZSA-N 1 2 271.320 0.541 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000538711982 390197292 /nfs/dbraw/zinc/19/72/92/390197292.db2.gz CUKYLFQXWRTSJB-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000538711982 390197294 /nfs/dbraw/zinc/19/72/94/390197294.db2.gz CUKYLFQXWRTSJB-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccnc(C#N)n1 ZINC000582192141 390269148 /nfs/dbraw/zinc/26/91/48/390269148.db2.gz ZMLJNFLWQCROTJ-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)nn1 ZINC000644785862 390313536 /nfs/dbraw/zinc/31/35/36/390313536.db2.gz AJUZLVYRAHXDAT-LLVKDONJSA-N 1 2 295.412 0.518 20 30 CCEDLO CCC[N@H+](Cc1ccc(C#N)cn1)[C@H]1CC(=O)N(C)C1=O ZINC000583879971 390320682 /nfs/dbraw/zinc/32/06/82/390320682.db2.gz IXPONMKXLOPUJZ-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CC(=O)N(C)C1=O ZINC000583879971 390320685 /nfs/dbraw/zinc/32/06/85/390320685.db2.gz IXPONMKXLOPUJZ-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000643400269 390439949 /nfs/dbraw/zinc/43/99/49/390439949.db2.gz XXXQJUMDEIACDX-ZDUSSCGKSA-N 1 2 294.399 0.511 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000645162176 390379729 /nfs/dbraw/zinc/37/97/29/390379729.db2.gz XBPLOUCDGIZUMH-ZDUSSCGKSA-N 1 2 266.345 0.220 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000645162176 390379732 /nfs/dbraw/zinc/37/97/32/390379732.db2.gz XBPLOUCDGIZUMH-ZDUSSCGKSA-N 1 2 266.345 0.220 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000645162335 390380290 /nfs/dbraw/zinc/38/02/90/390380290.db2.gz VRVAPMKFIALMMC-CYBMUJFWSA-N 1 2 290.367 0.721 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000645257501 390397709 /nfs/dbraw/zinc/39/77/09/390397709.db2.gz MKSNQFINHLZZLA-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000645257501 390397712 /nfs/dbraw/zinc/39/77/12/390397712.db2.gz MKSNQFINHLZZLA-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565313011 390502561 /nfs/dbraw/zinc/50/25/61/390502561.db2.gz YKTFIWCBHZVETQ-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565313011 390502564 /nfs/dbraw/zinc/50/25/64/390502564.db2.gz YKTFIWCBHZVETQ-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000516230103 390480113 /nfs/dbraw/zinc/48/01/13/390480113.db2.gz IEKBVCWOVSBLJD-DZGCQCFKSA-N 1 2 273.336 0.950 20 30 CCEDLO COc1nc(C)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000520413393 390573457 /nfs/dbraw/zinc/57/34/57/390573457.db2.gz VZBLKLSMETZBTQ-CQSZACIVSA-N 1 2 276.340 0.972 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001032 390618928 /nfs/dbraw/zinc/61/89/28/390618928.db2.gz CYJMOARAHAQRHB-WVDJIFEKSA-N 1 2 291.380 0.800 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001032 390618933 /nfs/dbraw/zinc/61/89/33/390618933.db2.gz CYJMOARAHAQRHB-WVDJIFEKSA-N 1 2 291.380 0.800 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)cnc12 ZINC000566856093 390654585 /nfs/dbraw/zinc/65/45/85/390654585.db2.gz NKHRIGQTXNGAOP-BETUJISGSA-N 1 2 285.307 0.201 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)cnc12 ZINC000566856093 390654590 /nfs/dbraw/zinc/65/45/90/390654590.db2.gz NKHRIGQTXNGAOP-BETUJISGSA-N 1 2 285.307 0.201 20 30 CCEDLO C[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000566348299 390596739 /nfs/dbraw/zinc/59/67/39/390596739.db2.gz CQACNAOAMXYAOJ-GFCCVEGCSA-N 1 2 286.339 0.805 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000525180619 390660262 /nfs/dbraw/zinc/66/02/62/390660262.db2.gz ZOCAZBBFBWOTNC-CHWSQXEVSA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000525180619 390660264 /nfs/dbraw/zinc/66/02/64/390660264.db2.gz ZOCAZBBFBWOTNC-CHWSQXEVSA-N 1 2 298.408 0.425 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000649386595 390614123 /nfs/dbraw/zinc/61/41/23/390614123.db2.gz WNBXPTYXECMEQP-VIFPVBQESA-N 1 2 269.374 0.010 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000646641320 390702514 /nfs/dbraw/zinc/70/25/14/390702514.db2.gz IRFRAOILWFJGKK-LBPRGKRZSA-N 1 2 261.325 0.845 20 30 CCEDLO Cc1noc(CCC[NH+]2CCN(C(=O)CC#N)CC2)n1 ZINC000568174787 390712217 /nfs/dbraw/zinc/71/22/17/390712217.db2.gz HRFQOQCWNCBCNK-UHFFFAOYSA-N 1 2 277.328 0.369 20 30 CCEDLO COC(=O)[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569977492 390716885 /nfs/dbraw/zinc/71/68/85/390716885.db2.gz LNRDNVQMTHLBSD-CABZTGNLSA-N 1 2 255.318 0.146 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C#N)cn1 ZINC000570846615 390721429 /nfs/dbraw/zinc/72/14/29/390721429.db2.gz AVIPIYZNAFCHJF-ZDUSSCGKSA-N 1 2 257.297 0.527 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC000567237624 390682372 /nfs/dbraw/zinc/68/23/72/390682372.db2.gz MXNPIUNPACDVFW-LLVKDONJSA-N 1 2 286.339 0.539 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1ccnc(C#N)c1 ZINC000527254691 390698455 /nfs/dbraw/zinc/69/84/55/390698455.db2.gz MUSIFLFONJQALO-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528722667 390770914 /nfs/dbraw/zinc/77/09/14/390770914.db2.gz SRUVUZPRCBSLCG-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528722667 390770915 /nfs/dbraw/zinc/77/09/15/390770915.db2.gz SRUVUZPRCBSLCG-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO CC(C)(C#N)CCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000572682338 390796715 /nfs/dbraw/zinc/79/67/15/390796715.db2.gz SEWDNACLEIZVQE-UHFFFAOYSA-N 1 2 263.345 0.916 20 30 CCEDLO CC(C)(C#N)CCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000572682338 390796717 /nfs/dbraw/zinc/79/67/17/390796717.db2.gz SEWDNACLEIZVQE-UHFFFAOYSA-N 1 2 263.345 0.916 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000572699471 390797272 /nfs/dbraw/zinc/79/72/72/390797272.db2.gz WVVFQDVMCZQKLB-GHMZBOCLSA-N 1 2 295.364 0.233 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000572699471 390797274 /nfs/dbraw/zinc/79/72/74/390797274.db2.gz WVVFQDVMCZQKLB-GHMZBOCLSA-N 1 2 295.364 0.233 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnccn1 ZINC000530335462 390876483 /nfs/dbraw/zinc/87/64/83/390876483.db2.gz RQVOSEFRPYVHDH-NSHDSACASA-N 1 2 273.340 0.859 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnccn1 ZINC000530335462 390876486 /nfs/dbraw/zinc/87/64/86/390876486.db2.gz RQVOSEFRPYVHDH-NSHDSACASA-N 1 2 273.340 0.859 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347336238 533239891 /nfs/dbraw/zinc/23/98/91/533239891.db2.gz ABZBNVQVEMRLNT-WCQYABFASA-N 1 2 283.347 0.734 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347336238 533239893 /nfs/dbraw/zinc/23/98/93/533239893.db2.gz ABZBNVQVEMRLNT-WCQYABFASA-N 1 2 283.347 0.734 20 30 CCEDLO N#CC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000578835483 390903840 /nfs/dbraw/zinc/90/38/40/390903840.db2.gz UGSMNHFETVFEPC-CYBMUJFWSA-N 1 2 292.383 0.796 20 30 CCEDLO COCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000425235882 533286632 /nfs/dbraw/zinc/28/66/32/533286632.db2.gz JJUNXPXSWRXDMT-LBPRGKRZSA-N 1 2 298.350 0.848 20 30 CCEDLO C[C@@H](CNC(=O)N[C@@H]1CCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000329095218 533361827 /nfs/dbraw/zinc/36/18/27/533361827.db2.gz KSYWGLCUMNPJQN-YNEHKIRRSA-N 1 2 285.388 0.778 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnccc1C#N ZINC000341811763 130072511 /nfs/dbraw/zinc/07/25/11/130072511.db2.gz XVUYYSPEHMFIQO-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO COC(=O)CNC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755668323 581626892 /nfs/dbraw/zinc/62/68/92/581626892.db2.gz BTRKZCSXRBMIPS-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO N#CCN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132386572 397414135 /nfs/dbraw/zinc/41/41/35/397414135.db2.gz FABICHDSDBJTNE-OAHLLOKOSA-N 1 2 298.346 0.763 20 30 CCEDLO N#CCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132386572 397414141 /nfs/dbraw/zinc/41/41/41/397414141.db2.gz FABICHDSDBJTNE-OAHLLOKOSA-N 1 2 298.346 0.763 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000658812038 413212512 /nfs/dbraw/zinc/21/25/12/413212512.db2.gz SWICZGKRBYGZCT-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000284450486 196058183 /nfs/dbraw/zinc/05/81/83/196058183.db2.gz BJCAQTYAYIOTRF-STQMWFEESA-N 1 2 259.309 0.633 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000284450486 196058185 /nfs/dbraw/zinc/05/81/85/196058185.db2.gz BJCAQTYAYIOTRF-STQMWFEESA-N 1 2 259.309 0.633 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CCNC(=O)N(C)C)nn1 ZINC000653596478 412324637 /nfs/dbraw/zinc/32/46/37/412324637.db2.gz XXLUVEBJORBINV-UHFFFAOYSA-N 1 2 280.376 0.557 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CCNC(=O)N(C)C)nn1 ZINC000653596478 412324641 /nfs/dbraw/zinc/32/46/41/412324641.db2.gz XXLUVEBJORBINV-UHFFFAOYSA-N 1 2 280.376 0.557 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2COC[C@H]2OC)nn1 ZINC000653761599 412342746 /nfs/dbraw/zinc/34/27/46/412342746.db2.gz WYVUCLWNEITEAO-NWDGAFQWSA-N 1 2 252.318 0.358 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037250053 173062421 /nfs/dbraw/zinc/06/24/21/173062421.db2.gz TXEUQSNRGGIEJA-SNVBAGLBSA-N 1 2 274.324 0.563 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037250053 173062422 /nfs/dbraw/zinc/06/24/22/173062422.db2.gz TXEUQSNRGGIEJA-SNVBAGLBSA-N 1 2 274.324 0.563 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000662167880 414695118 /nfs/dbraw/zinc/69/51/18/414695118.db2.gz MZXBNSUAISBWPT-SNVBAGLBSA-N 1 2 259.309 0.570 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664536065 415411963 /nfs/dbraw/zinc/41/19/63/415411963.db2.gz ULUNKUTYIYFDGS-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664536065 415411970 /nfs/dbraw/zinc/41/19/70/415411970.db2.gz ULUNKUTYIYFDGS-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664443164 415387178 /nfs/dbraw/zinc/38/71/78/415387178.db2.gz BKEMTKVNBHABFG-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664443164 415387182 /nfs/dbraw/zinc/38/71/82/415387182.db2.gz BKEMTKVNBHABFG-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664704451 415450947 /nfs/dbraw/zinc/45/09/47/415450947.db2.gz VIZSWDZGWBVJHB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664704451 415450953 /nfs/dbraw/zinc/45/09/53/415450953.db2.gz VIZSWDZGWBVJHB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000353996426 287381272 /nfs/dbraw/zinc/38/12/72/287381272.db2.gz DAPGOXXFSGMWQK-OCCSQVGLSA-N 1 2 283.372 0.078 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347339915 226119167 /nfs/dbraw/zinc/11/91/67/226119167.db2.gz CSOYNQKIKSSASV-YPMHNXCESA-N 1 2 271.336 0.543 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347339915 226119172 /nfs/dbraw/zinc/11/91/72/226119172.db2.gz CSOYNQKIKSSASV-YPMHNXCESA-N 1 2 271.336 0.543 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2n(n1)CCCO2 ZINC000575185530 335077654 /nfs/dbraw/zinc/07/76/54/335077654.db2.gz BFWFCZCISKCSHZ-CYBMUJFWSA-N 1 2 277.328 0.239 20 30 CCEDLO C[C@H](C(=O)NCc1nnn(C)n1)[NH+]1CCSCC1 ZINC000330204102 228065320 /nfs/dbraw/zinc/06/53/20/228065320.db2.gz CMBLNZSJNTZFTB-MRVPVSSYSA-N 1 2 270.362 0.104 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330336090 228155509 /nfs/dbraw/zinc/15/55/09/228155509.db2.gz SCCDXRWNRIWTQH-WOPDTQHZSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330336090 228155510 /nfs/dbraw/zinc/15/55/10/228155510.db2.gz SCCDXRWNRIWTQH-WOPDTQHZSA-N 1 2 271.361 0.246 20 30 CCEDLO C[C@H](CNC(=O)NC1CCOCC1)[NH+]1CCOCC1 ZINC000328880816 545019476 /nfs/dbraw/zinc/01/94/76/545019476.db2.gz WDZSUNDIZIOSSN-LLVKDONJSA-N 1 2 271.361 0.390 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCOCC1 ZINC000328937589 545020469 /nfs/dbraw/zinc/02/04/69/545020469.db2.gz RHYXRSKCTAJCJH-UHFFFAOYSA-N 1 2 285.388 0.734 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCOCC1 ZINC000328937589 545020471 /nfs/dbraw/zinc/02/04/71/545020471.db2.gz RHYXRSKCTAJCJH-UHFFFAOYSA-N 1 2 285.388 0.734 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497749 260227268 /nfs/dbraw/zinc/22/72/68/260227268.db2.gz OGMGRZUEJLNBRH-UHFFFAOYSA-N 1 2 255.705 0.917 20 30 CCEDLO Cn1cccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060634312 260231080 /nfs/dbraw/zinc/23/10/80/260231080.db2.gz GVOMBINDIQRAKH-UHFFFAOYSA-N 1 2 290.367 0.713 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363469421 260277713 /nfs/dbraw/zinc/27/77/13/260277713.db2.gz BTDDOAZCRYDOSB-KBPBESRZSA-N 1 2 290.367 0.896 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363469421 260277715 /nfs/dbraw/zinc/27/77/15/260277715.db2.gz BTDDOAZCRYDOSB-KBPBESRZSA-N 1 2 290.367 0.896 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2c1OCO2 ZINC000518278918 260367649 /nfs/dbraw/zinc/36/76/49/260367649.db2.gz YVGBVGRFGMRAEM-CQSZACIVSA-N 1 2 275.308 0.989 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1CCc2ccccc21 ZINC000121401658 260709775 /nfs/dbraw/zinc/70/97/75/260709775.db2.gz PLRFTZIFPRUGRH-SNVBAGLBSA-N 1 2 277.324 0.635 20 30 CCEDLO NC(CCO)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000136063278 260923526 /nfs/dbraw/zinc/92/35/26/260923526.db2.gz LWNHQXCUYAONSF-UHFFFAOYSA-N 1 2 257.221 0.905 20 30 CCEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc2c(c1)CCO2 ZINC000158204420 261160739 /nfs/dbraw/zinc/16/07/39/261160739.db2.gz WSHCQTYXRJSZQH-UHFFFAOYSA-N 1 2 289.335 0.881 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C)n2)CC1 ZINC000490951490 261262749 /nfs/dbraw/zinc/26/27/49/261262749.db2.gz YQAULLYMWYBSIS-UHFFFAOYSA-N 1 2 273.336 0.546 20 30 CCEDLO COCCOCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000183260647 261969635 /nfs/dbraw/zinc/96/96/35/261969635.db2.gz UNXXLAQKNMINOI-UHFFFAOYSA-N 1 2 268.313 0.995 20 30 CCEDLO COc1cc[nH+]c(CN2CCOC[C@@H]2C#N)c1OC ZINC000190888308 262186674 /nfs/dbraw/zinc/18/66/74/262186674.db2.gz XEPOAYDNFFZMHI-JTQLQIEISA-N 1 2 263.297 0.823 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@@H](C#N)C1 ZINC000492298760 262202674 /nfs/dbraw/zinc/20/26/74/262202674.db2.gz LDUQMIALMKAOBP-UFFNRZRYSA-N 1 2 260.297 0.667 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000057907632 262350464 /nfs/dbraw/zinc/35/04/64/262350464.db2.gz JCSAMLGPLYQWJO-UHFFFAOYSA-N 1 2 250.302 0.210 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000281936288 263073025 /nfs/dbraw/zinc/07/30/25/263073025.db2.gz IMCZKUZWTJPJKQ-CQSZACIVSA-N 1 2 275.352 0.615 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000281936288 263073026 /nfs/dbraw/zinc/07/30/26/263073026.db2.gz IMCZKUZWTJPJKQ-CQSZACIVSA-N 1 2 275.352 0.615 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OC[C@@H]2CNC(=O)O2)cs1 ZINC000282274476 263075529 /nfs/dbraw/zinc/07/55/29/263075529.db2.gz OZHQPQFDXREMOH-QMMMGPOBSA-N 1 2 270.314 0.391 20 30 CCEDLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284549603 263087254 /nfs/dbraw/zinc/08/72/54/263087254.db2.gz VVOKIRRDHNVTNA-NSHDSACASA-N 1 2 281.312 0.706 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCC[C@@H](O)c1ccccc1 ZINC000285011099 263089067 /nfs/dbraw/zinc/08/90/67/263089067.db2.gz DFJGJTGWBCBEET-CQSZACIVSA-N 1 2 293.367 0.731 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340292272 263105425 /nfs/dbraw/zinc/10/54/25/263105425.db2.gz SVARSGNJVXEWDW-OWCLPIDISA-N 1 2 287.363 0.629 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C(C)(C)c1noc(C)n1 ZINC000292813900 263135315 /nfs/dbraw/zinc/13/53/15/263135315.db2.gz NKOMAFKUOQASFD-UHFFFAOYSA-N 1 2 250.302 0.342 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341328389 263331328 /nfs/dbraw/zinc/33/13/28/263331328.db2.gz HWVFGVOBAWNXCZ-LBPRGKRZSA-N 1 2 290.367 0.994 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000341851763 263359529 /nfs/dbraw/zinc/35/95/29/263359529.db2.gz WLBILTNSGHXUOK-ZDUSSCGKSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000341851763 263359530 /nfs/dbraw/zinc/35/95/30/263359530.db2.gz WLBILTNSGHXUOK-ZDUSSCGKSA-N 1 2 299.415 0.581 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000342035843 263385683 /nfs/dbraw/zinc/38/56/83/263385683.db2.gz FGISZCFVMZLQDA-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000342035843 263385684 /nfs/dbraw/zinc/38/56/84/263385684.db2.gz FGISZCFVMZLQDA-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC000960506265 649855089 /nfs/dbraw/zinc/85/50/89/649855089.db2.gz YOWFTCHUXKCTTA-DGCLKSJQSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC000960506265 649855091 /nfs/dbraw/zinc/85/50/91/649855091.db2.gz YOWFTCHUXKCTTA-DGCLKSJQSA-N 1 2 290.371 0.398 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)C1 ZINC000330710269 264021088 /nfs/dbraw/zinc/02/10/88/264021088.db2.gz TUONICZTQJCAAT-GHMZBOCLSA-N 1 2 299.419 0.686 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)C1 ZINC000330710269 264021091 /nfs/dbraw/zinc/02/10/91/264021091.db2.gz TUONICZTQJCAAT-GHMZBOCLSA-N 1 2 299.419 0.686 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000330860053 264055378 /nfs/dbraw/zinc/05/53/78/264055378.db2.gz KOAQVADRTNZATG-HNNXBMFYSA-N 1 2 292.383 0.391 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000330948829 264085903 /nfs/dbraw/zinc/08/59/03/264085903.db2.gz JAZWLCYAUSSONO-JSGCOSHPSA-N 1 2 269.389 0.066 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000330957278 264087944 /nfs/dbraw/zinc/08/79/44/264087944.db2.gz VTNIGUROPSONDX-JGVFFNPUSA-N 1 2 296.293 0.261 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000330957278 264087946 /nfs/dbraw/zinc/08/79/46/264087946.db2.gz VTNIGUROPSONDX-JGVFFNPUSA-N 1 2 296.293 0.261 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000331197972 264159435 /nfs/dbraw/zinc/15/94/35/264159435.db2.gz SYCMEECHEQYKIC-QWRGUYRKSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000331197972 264159436 /nfs/dbraw/zinc/15/94/36/264159436.db2.gz SYCMEECHEQYKIC-QWRGUYRKSA-N 1 2 251.330 0.658 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961053672 649862518 /nfs/dbraw/zinc/86/25/18/649862518.db2.gz AIOXJFDIRIGGRT-YABSGUDNSA-N 1 2 281.319 0.518 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000076949158 264350807 /nfs/dbraw/zinc/35/08/07/264350807.db2.gz FEEGUUQJXXJMMX-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000076949158 264350809 /nfs/dbraw/zinc/35/08/09/264350809.db2.gz FEEGUUQJXXJMMX-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242422 264394569 /nfs/dbraw/zinc/39/45/69/264394569.db2.gz CTVPIXRZVZMIRB-STQMWFEESA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242422 264394571 /nfs/dbraw/zinc/39/45/71/264394571.db2.gz CTVPIXRZVZMIRB-STQMWFEESA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190183595 264397461 /nfs/dbraw/zinc/39/74/61/264397461.db2.gz SIASZWFSAXIHBC-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190183595 264397463 /nfs/dbraw/zinc/39/74/63/264397463.db2.gz SIASZWFSAXIHBC-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595513 267015977 /nfs/dbraw/zinc/01/59/77/267015977.db2.gz DKLDLMYDBBVDQV-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595513 267015979 /nfs/dbraw/zinc/01/59/79/267015979.db2.gz DKLDLMYDBBVDQV-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC#N ZINC000362698247 267036989 /nfs/dbraw/zinc/03/69/89/267036989.db2.gz NUBSLYUCCJGIMV-LBPRGKRZSA-N 1 2 291.355 0.465 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC#N ZINC000362698247 267036990 /nfs/dbraw/zinc/03/69/90/267036990.db2.gz NUBSLYUCCJGIMV-LBPRGKRZSA-N 1 2 291.355 0.465 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375618887 267879475 /nfs/dbraw/zinc/87/94/75/267879475.db2.gz PVNKXGHPMFOWAK-CHWSQXEVSA-N 1 2 288.413 0.687 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000376674664 268007955 /nfs/dbraw/zinc/00/79/55/268007955.db2.gz VIWFIWUYCQCKEU-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000376674664 268007957 /nfs/dbraw/zinc/00/79/57/268007957.db2.gz VIWFIWUYCQCKEU-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344539389 288070972 /nfs/dbraw/zinc/07/09/72/288070972.db2.gz BIRZLVHFJXWCPB-SECBINFHSA-N 1 2 269.326 0.476 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344539389 288070973 /nfs/dbraw/zinc/07/09/73/288070973.db2.gz BIRZLVHFJXWCPB-SECBINFHSA-N 1 2 269.326 0.476 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000329324773 297638450 /nfs/dbraw/zinc/63/84/50/297638450.db2.gz IHSAVOHZJUXCIF-AAEUAGOBSA-N 1 2 271.361 0.390 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344539488 300214732 /nfs/dbraw/zinc/21/47/32/300214732.db2.gz BIRZLVHFJXWCPB-VIFPVBQESA-N 1 2 269.326 0.476 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344539488 300214734 /nfs/dbraw/zinc/21/47/34/300214734.db2.gz BIRZLVHFJXWCPB-VIFPVBQESA-N 1 2 269.326 0.476 20 30 CCEDLO C=CCC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC000580161761 327715766 /nfs/dbraw/zinc/71/57/66/327715766.db2.gz BQKCNOXILDVWJQ-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000534309130 328044864 /nfs/dbraw/zinc/04/48/64/328044864.db2.gz KZMHEVAGOITUOI-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000534309130 328044865 /nfs/dbraw/zinc/04/48/65/328044865.db2.gz KZMHEVAGOITUOI-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C2=O)cn1 ZINC000571560911 328134081 /nfs/dbraw/zinc/13/40/81/328134081.db2.gz IIECYADOFFXPSR-WCQYABFASA-N 1 2 286.339 0.559 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](c3ccccn3)CC2=O)CC1 ZINC000113239366 328456610 /nfs/dbraw/zinc/45/66/10/328456610.db2.gz FTRBVNLHIONJFX-HNNXBMFYSA-N 1 2 298.390 0.606 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C)CC1 ZINC000283738557 328515589 /nfs/dbraw/zinc/51/55/89/328515589.db2.gz DDPRIAHGLRHTSW-UHFFFAOYSA-N 1 2 270.340 0.565 20 30 CCEDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000557181342 326995726 /nfs/dbraw/zinc/99/57/26/326995726.db2.gz ROXCDDYLGDOKGE-UHFFFAOYSA-N 1 2 267.354 0.940 20 30 CCEDLO CCn1cc[nH+]c1CNC(=O)c1cnn(C)c1C#N ZINC000576239820 327025894 /nfs/dbraw/zinc/02/58/94/327025894.db2.gz KBLQDZYTWWRBAX-UHFFFAOYSA-N 1 2 258.285 0.438 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000111181800 327277300 /nfs/dbraw/zinc/27/73/00/327277300.db2.gz FHZLUHWJLFJCCZ-UHFFFAOYSA-N 1 2 294.311 0.716 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000560455538 327309262 /nfs/dbraw/zinc/30/92/62/327309262.db2.gz MZJMPYDSRGVLJX-WZSRBFQBSA-N 1 2 277.368 0.906 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000560455538 327309263 /nfs/dbraw/zinc/30/92/63/327309263.db2.gz MZJMPYDSRGVLJX-WZSRBFQBSA-N 1 2 277.368 0.906 20 30 CCEDLO COC(=O)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)no1 ZINC000582244925 328846207 /nfs/dbraw/zinc/84/62/07/328846207.db2.gz RYFQHFGBPCULIS-LBPRGKRZSA-N 1 2 280.284 0.035 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000170886428 329069296 /nfs/dbraw/zinc/06/92/96/329069296.db2.gz IFVDCVQCYXTTJU-GHMZBOCLSA-N 1 2 271.386 0.469 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178735312 329200401 /nfs/dbraw/zinc/20/04/01/329200401.db2.gz CIIWFHOMTZDILI-ZDUSSCGKSA-N 1 2 267.373 0.085 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000188657805 329371740 /nfs/dbraw/zinc/37/17/40/329371740.db2.gz UWIOGFWRXAGUKY-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000583852287 329489127 /nfs/dbraw/zinc/48/91/27/329489127.db2.gz ZRSMQWVTJRCDKE-UPJWGTAASA-N 1 2 268.357 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420955097 329790802 /nfs/dbraw/zinc/79/08/02/329790802.db2.gz VPPANFMYSNOSHO-VXGBXAGGSA-N 1 2 283.372 0.888 20 30 CCEDLO CC(C)(C#N)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000087595581 330373672 /nfs/dbraw/zinc/37/36/72/330373672.db2.gz UVZURKSZWKYESW-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO COc1ncccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000515488357 330478469 /nfs/dbraw/zinc/47/84/69/330478469.db2.gz SMHWXHXWSFKJBP-CYBMUJFWSA-N 1 2 262.313 0.664 20 30 CCEDLO CC#CC[N@@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000451076414 331015124 /nfs/dbraw/zinc/01/51/24/331015124.db2.gz HOOBWTXSTAJMDK-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO CC#CC[N@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000451076414 331015125 /nfs/dbraw/zinc/01/51/25/331015125.db2.gz HOOBWTXSTAJMDK-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451181621 331019063 /nfs/dbraw/zinc/01/90/63/331019063.db2.gz FPIZMWXJRXAAKI-NSHDSACASA-N 1 2 252.293 0.686 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451181621 331019064 /nfs/dbraw/zinc/01/90/64/331019064.db2.gz FPIZMWXJRXAAKI-NSHDSACASA-N 1 2 252.293 0.686 20 30 CCEDLO CCN(CC#CC[N@H+](CC)C1COC1)C1COC1 ZINC000451291194 331023421 /nfs/dbraw/zinc/02/34/21/331023421.db2.gz ZETAXZSWWGJLHF-UHFFFAOYSA-N 1 2 252.358 0.431 20 30 CCEDLO CCN(CC#CC[N@@H+](CC)C1COC1)C1COC1 ZINC000451291194 331023422 /nfs/dbraw/zinc/02/34/22/331023422.db2.gz ZETAXZSWWGJLHF-UHFFFAOYSA-N 1 2 252.358 0.431 20 30 CCEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000451930280 331047590 /nfs/dbraw/zinc/04/75/90/331047590.db2.gz PLQOFDMEMRTWNV-WDEREUQCSA-N 1 2 299.400 0.890 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000454493146 331147358 /nfs/dbraw/zinc/14/73/58/331147358.db2.gz VRPQEQTXOQZHAL-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000454493146 331147359 /nfs/dbraw/zinc/14/73/59/331147359.db2.gz VRPQEQTXOQZHAL-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000195335613 331170075 /nfs/dbraw/zinc/17/00/75/331170075.db2.gz INFVUUHSIFJPBY-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000456767016 331201756 /nfs/dbraw/zinc/20/17/56/331201756.db2.gz LSGCSOKZYTUPOQ-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000489729913 332066335 /nfs/dbraw/zinc/06/63/35/332066335.db2.gz VZTDGBUVHNCKOZ-CQSZACIVSA-N 1 2 297.399 0.742 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000489729913 332066337 /nfs/dbraw/zinc/06/63/37/332066337.db2.gz VZTDGBUVHNCKOZ-CQSZACIVSA-N 1 2 297.399 0.742 20 30 CCEDLO C#CCNC(=O)c1ccc(NCCCCn2cc[nH+]c2)nc1 ZINC000490912820 332128010 /nfs/dbraw/zinc/12/80/10/332128010.db2.gz BAZVNBIQFGLKPJ-UHFFFAOYSA-N 1 2 297.362 0.955 20 30 CCEDLO C#CCNC(=O)C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000491105414 332150270 /nfs/dbraw/zinc/15/02/70/332150270.db2.gz VPAHMRPJWLPSQR-UHFFFAOYSA-N 1 2 293.758 0.678 20 30 CCEDLO C#CCNC(=O)C1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000491105414 332150272 /nfs/dbraw/zinc/15/02/72/332150272.db2.gz VPAHMRPJWLPSQR-UHFFFAOYSA-N 1 2 293.758 0.678 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C)CC1 ZINC000491144612 332155890 /nfs/dbraw/zinc/15/58/90/332155890.db2.gz IAVBOUBXRMKGIZ-UHFFFAOYSA-N 1 2 282.351 0.632 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000491165643 332159891 /nfs/dbraw/zinc/15/98/91/332159891.db2.gz MKUABDBSBHJAPP-ZDUSSCGKSA-N 1 2 291.376 0.361 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000491165643 332159893 /nfs/dbraw/zinc/15/98/93/332159893.db2.gz MKUABDBSBHJAPP-ZDUSSCGKSA-N 1 2 291.376 0.361 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000491627883 332251141 /nfs/dbraw/zinc/25/11/41/332251141.db2.gz MXCZSAZQMHDXFF-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491639291 332259553 /nfs/dbraw/zinc/25/95/53/332259553.db2.gz YLMFHWYIOMXSJV-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H]1COCCN1CCCCC[N@@H+]1CCOC[C@H]1C#C ZINC000491641776 332261097 /nfs/dbraw/zinc/26/10/97/332261097.db2.gz SXHAIWRBAIMAST-IAGOWNOFSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCCN1CCCCC[N@H+]1CCOC[C@H]1C#C ZINC000491641776 332261098 /nfs/dbraw/zinc/26/10/98/332261098.db2.gz SXHAIWRBAIMAST-IAGOWNOFSA-N 1 2 290.407 0.825 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(C/C=C\Cl)CC1 ZINC000491657270 332268675 /nfs/dbraw/zinc/26/86/75/332268675.db2.gz KCHGXBPRLAOEHM-ARJAWSKDSA-N 1 2 255.749 0.106 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000491659916 332270342 /nfs/dbraw/zinc/27/03/42/332270342.db2.gz LTFHURRNMLYEKH-NSHDSACASA-N 1 2 271.320 0.925 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000491659916 332270344 /nfs/dbraw/zinc/27/03/44/332270344.db2.gz LTFHURRNMLYEKH-NSHDSACASA-N 1 2 271.320 0.925 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000491704744 332298002 /nfs/dbraw/zinc/29/80/02/332298002.db2.gz PLMGDDQKKGKKRU-UHFFFAOYSA-N 1 2 277.368 0.165 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000491705885 332298967 /nfs/dbraw/zinc/29/89/67/332298967.db2.gz MHPVSZOKEYDGPN-UONOGXRCSA-N 1 2 279.311 0.899 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000491705885 332298969 /nfs/dbraw/zinc/29/89/69/332298969.db2.gz MHPVSZOKEYDGPN-UONOGXRCSA-N 1 2 279.311 0.899 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H]3CCC[C@@H]3C2=O)CC1 ZINC000491706999 332299912 /nfs/dbraw/zinc/29/99/12/332299912.db2.gz KZMVHIVANVCXEL-KGLIPLIRSA-N 1 2 261.369 0.453 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000491767096 332334897 /nfs/dbraw/zinc/33/48/97/332334897.db2.gz GENBRIAFCOTCCA-QWHCGFSZSA-N 1 2 281.377 0.960 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000491767096 332334899 /nfs/dbraw/zinc/33/48/99/332334899.db2.gz GENBRIAFCOTCCA-QWHCGFSZSA-N 1 2 281.377 0.960 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)C1CC1 ZINC000491775640 332341419 /nfs/dbraw/zinc/34/14/19/332341419.db2.gz DXMRCCPGOVWLHS-UHFFFAOYSA-N 1 2 292.379 0.886 20 30 CCEDLO C#CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)C1CC1 ZINC000491775640 332341420 /nfs/dbraw/zinc/34/14/20/332341420.db2.gz DXMRCCPGOVWLHS-UHFFFAOYSA-N 1 2 292.379 0.886 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491778661 332343771 /nfs/dbraw/zinc/34/37/71/332343771.db2.gz HTNKSXUHEKXLGP-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491778661 332343773 /nfs/dbraw/zinc/34/37/73/332343773.db2.gz HTNKSXUHEKXLGP-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000491788068 332350388 /nfs/dbraw/zinc/35/03/88/332350388.db2.gz YTHJFZAZEGOJPP-CYBMUJFWSA-N 1 2 281.400 0.167 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000491788068 332350390 /nfs/dbraw/zinc/35/03/90/332350390.db2.gz YTHJFZAZEGOJPP-CYBMUJFWSA-N 1 2 281.400 0.167 20 30 CCEDLO C=CCOC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OC ZINC000493267363 332433277 /nfs/dbraw/zinc/43/32/77/332433277.db2.gz UKTWYMWVVDRCAG-YEZKRMTDSA-N 1 2 279.296 0.283 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)OC(C)(C)C ZINC000497080956 332569320 /nfs/dbraw/zinc/56/93/20/332569320.db2.gz HUZRVLHLDCORTO-CQSZACIVSA-N 1 2 298.387 0.861 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000178433888 333072913 /nfs/dbraw/zinc/07/29/13/333072913.db2.gz UWOWZJJDLVYAPN-IBGZPJMESA-N 1 2 279.365 0.496 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000178433888 333072914 /nfs/dbraw/zinc/07/29/14/333072914.db2.gz UWOWZJJDLVYAPN-IBGZPJMESA-N 1 2 279.365 0.496 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000516980036 333088673 /nfs/dbraw/zinc/08/86/73/333088673.db2.gz VCEBCSCLHNVLMT-GJZGRUSLSA-N 1 2 290.367 0.149 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000516980036 333088675 /nfs/dbraw/zinc/08/86/75/333088675.db2.gz VCEBCSCLHNVLMT-GJZGRUSLSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CC[NH+]1CCN(CN2Cc3ccc(OC)cc3C2=O)CC1 ZINC000189703328 333197950 /nfs/dbraw/zinc/19/79/50/333197950.db2.gz LAZJCLRWFRQRRL-UHFFFAOYSA-N 1 2 299.374 0.859 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000575932537 335133113 /nfs/dbraw/zinc/13/31/13/335133113.db2.gz MWKNVBCACROHAB-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000575932537 335133114 /nfs/dbraw/zinc/13/31/14/335133114.db2.gz MWKNVBCACROHAB-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000066472163 333623491 /nfs/dbraw/zinc/62/34/91/333623491.db2.gz PWTUSYDPIODHOA-QPJJXVBHSA-N 1 2 298.390 0.957 20 30 CCEDLO CCN1CCN(C(=O)NC[C@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548019847 334135173 /nfs/dbraw/zinc/13/51/73/334135173.db2.gz IZHKQXXCLSNBNZ-VXGBXAGGSA-N 1 2 290.371 0.958 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248485721 334303938 /nfs/dbraw/zinc/30/39/38/334303938.db2.gz KULFNYZSPPBRLV-MJCKAROISA-N 1 2 287.429 0.740 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248485721 334303940 /nfs/dbraw/zinc/30/39/40/334303940.db2.gz KULFNYZSPPBRLV-MJCKAROISA-N 1 2 287.429 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248800000 334317686 /nfs/dbraw/zinc/31/76/86/334317686.db2.gz FVPJHUZEFMCQEE-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248800000 334317688 /nfs/dbraw/zinc/31/76/88/334317688.db2.gz FVPJHUZEFMCQEE-STQMWFEESA-N 1 2 268.357 0.269 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249542248 334336042 /nfs/dbraw/zinc/33/60/42/334336042.db2.gz FHGSGNAIYBCGBR-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249542248 334336044 /nfs/dbraw/zinc/33/60/44/334336044.db2.gz FHGSGNAIYBCGBR-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000567688560 334752242 /nfs/dbraw/zinc/75/22/42/334752242.db2.gz SWJHQJGZEILZIU-UHFFFAOYSA-N 1 2 259.356 0.530 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000568767530 334840013 /nfs/dbraw/zinc/84/00/13/334840013.db2.gz SCEVGEJRVLVTNE-CYBMUJFWSA-N 1 2 276.344 0.428 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CC1 ZINC000580687876 335323489 /nfs/dbraw/zinc/32/34/89/335323489.db2.gz LGOTXWGBSNOODD-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO Cn1ncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1C#N ZINC000579848179 335906597 /nfs/dbraw/zinc/90/65/97/335906597.db2.gz PXGTYSFTTZVKNL-UHFFFAOYSA-N 1 2 258.285 0.680 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnn(C)c1 ZINC000581046382 336000326 /nfs/dbraw/zinc/00/03/26/336000326.db2.gz ZDLASDBGOOZHIY-LLVKDONJSA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000581046382 336000327 /nfs/dbraw/zinc/00/03/27/336000327.db2.gz ZDLASDBGOOZHIY-LLVKDONJSA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cncnc1 ZINC000329229509 533903177 /nfs/dbraw/zinc/90/31/77/533903177.db2.gz CRLUXJUEAVUYGM-YPMHNXCESA-N 1 2 291.355 0.817 20 30 CCEDLO Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425262501 534031943 /nfs/dbraw/zinc/03/19/43/534031943.db2.gz RTHTYZUQLZTTIC-YPMHNXCESA-N 1 2 261.325 0.741 20 30 CCEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC(CO)C1 ZINC000330024052 534355274 /nfs/dbraw/zinc/35/52/74/534355274.db2.gz AAZCNZGLZIWJAF-UHFFFAOYSA-N 1 2 260.297 0.672 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340319644 524553152 /nfs/dbraw/zinc/55/31/52/524553152.db2.gz YFBPLQQBCURDIH-JTQLQIEISA-N 1 2 287.323 0.054 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340319644 524553158 /nfs/dbraw/zinc/55/31/58/524553158.db2.gz YFBPLQQBCURDIH-JTQLQIEISA-N 1 2 287.323 0.054 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C)ncc2C#N)CC1 ZINC000425209464 526624825 /nfs/dbraw/zinc/62/48/25/526624825.db2.gz RHPVJNGYCMBMCE-UHFFFAOYSA-N 1 2 287.367 0.260 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352698994 526634243 /nfs/dbraw/zinc/63/42/43/526634243.db2.gz NWIKLXMLAHFAPQ-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666239049 545116936 /nfs/dbraw/zinc/11/69/36/545116936.db2.gz OECVVZBNVAMSEO-UHFFFAOYSA-N 1 2 293.371 0.913 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355027330 527925489 /nfs/dbraw/zinc/92/54/89/527925489.db2.gz CFTZOUCDVUDKMA-AWEZNQCLSA-N 1 2 297.403 0.244 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355027330 527925495 /nfs/dbraw/zinc/92/54/95/527925495.db2.gz CFTZOUCDVUDKMA-AWEZNQCLSA-N 1 2 297.403 0.244 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1 ZINC000352602482 529150287 /nfs/dbraw/zinc/15/02/87/529150287.db2.gz ARUCNVRIUXSOBK-RYUDHWBXSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1 ZINC000352602482 529150288 /nfs/dbraw/zinc/15/02/88/529150288.db2.gz ARUCNVRIUXSOBK-RYUDHWBXSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@H](C)C1 ZINC000352602481 529150307 /nfs/dbraw/zinc/15/03/07/529150307.db2.gz ARUCNVRIUXSOBK-NWDGAFQWSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@H](C)C1 ZINC000352602481 529150308 /nfs/dbraw/zinc/15/03/08/529150308.db2.gz ARUCNVRIUXSOBK-NWDGAFQWSA-N 1 2 288.417 0.491 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000677047946 545357114 /nfs/dbraw/zinc/35/71/14/545357114.db2.gz LLKRNYVXVVEPEQ-LBPRGKRZSA-N 1 2 264.325 0.974 20 30 CCEDLO C=CCOCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000679471361 545409933 /nfs/dbraw/zinc/40/99/33/545409933.db2.gz GNWUSMCYDKCMLT-UHFFFAOYSA-N 1 2 260.301 0.859 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000680463704 545429261 /nfs/dbraw/zinc/42/92/61/545429261.db2.gz COWZPGCWKNFYHK-JTQLQIEISA-N 1 2 273.296 0.329 20 30 CCEDLO CCS(=O)(=O)C1CC[NH+](CC#CCOC)CC1 ZINC000683529332 545543971 /nfs/dbraw/zinc/54/39/71/545543971.db2.gz WHLHAPJAULRSBF-UHFFFAOYSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncnc1 ZINC001017510145 649890140 /nfs/dbraw/zinc/89/01/40/649890140.db2.gz FORMKBWFBVVVKG-OKILXGFUSA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncnc1 ZINC001017510145 649890143 /nfs/dbraw/zinc/89/01/43/649890143.db2.gz FORMKBWFBVVVKG-OKILXGFUSA-N 1 2 270.336 0.328 20 30 CCEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCC#N ZINC000745087873 581170273 /nfs/dbraw/zinc/17/02/73/581170273.db2.gz SJIAXBQFXJGBRA-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCC#N ZINC000745087873 581170276 /nfs/dbraw/zinc/17/02/76/581170276.db2.gz SJIAXBQFXJGBRA-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C)c2SC)CC1 ZINC000790552395 581190521 /nfs/dbraw/zinc/19/05/21/581190521.db2.gz WQUCZBBUSABRTO-UHFFFAOYSA-N 1 2 292.408 0.923 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)nc2OC)CC1 ZINC000777399893 581114067 /nfs/dbraw/zinc/11/40/67/581114067.db2.gz DJGXSMFHCSKRSJ-UHFFFAOYSA-N 1 2 273.336 0.790 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000777817587 581135249 /nfs/dbraw/zinc/13/52/49/581135249.db2.gz NLGLMQSLYLJDFY-UHFFFAOYSA-N 1 2 273.402 0.892 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccncn2)CC1 ZINC000777859647 581137108 /nfs/dbraw/zinc/13/71/08/581137108.db2.gz GEGXVXTXBANLIP-ONEGZZNKSA-N 1 2 256.309 0.267 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(C)cc2O)CC1 ZINC000778643341 581161653 /nfs/dbraw/zinc/16/16/53/581161653.db2.gz BZIYBZNXPMWFBD-UHFFFAOYSA-N 1 2 273.336 0.877 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000778785259 581166424 /nfs/dbraw/zinc/16/64/24/581166424.db2.gz VFDLFXUWJDRXIW-HXUWFJFHSA-N 1 2 294.380 0.023 20 30 CCEDLO CC(=NNc1[nH+]ccn1C)c1cccc(S(N)(=O)=O)c1 ZINC000790300484 581183280 /nfs/dbraw/zinc/18/32/80/581183280.db2.gz UKZXSNKJIQCHKM-UHFFFAOYSA-N 1 2 293.352 0.904 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382461 581185676 /nfs/dbraw/zinc/18/56/76/581185676.db2.gz BJYMBQFMGWGOHA-MBNYWOFBSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382461 581185679 /nfs/dbraw/zinc/18/56/79/581185679.db2.gz BJYMBQFMGWGOHA-MBNYWOFBSA-N 1 2 281.356 0.285 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCCOC1 ZINC000780263812 581223646 /nfs/dbraw/zinc/22/36/46/581223646.db2.gz XXIJHIZSNXJDSW-QMMMGPOBSA-N 1 2 251.290 0.170 20 30 CCEDLO CC1(C)NC(=O)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000793035546 581281491 /nfs/dbraw/zinc/28/14/91/581281491.db2.gz XTZGZHQJHHEGKO-NXEZZACHSA-N 1 2 277.372 0.891 20 30 CCEDLO C#Cc1ccc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000782265864 581294070 /nfs/dbraw/zinc/29/40/70/581294070.db2.gz ZKAVWIMGGRJFLL-LBPRGKRZSA-N 1 2 274.320 0.940 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000782590477 581310711 /nfs/dbraw/zinc/31/07/11/581310711.db2.gz DNDPVVMEISPBQE-RISCZKNCSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000782590477 581310712 /nfs/dbraw/zinc/31/07/12/581310712.db2.gz DNDPVVMEISPBQE-RISCZKNCSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@@H](CC#N)N(C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783975661 581369124 /nfs/dbraw/zinc/36/91/24/581369124.db2.gz CMOUOXYWYDJAJN-NWDGAFQWSA-N 1 2 275.356 0.927 20 30 CCEDLO C#CCOCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000784178763 581375489 /nfs/dbraw/zinc/37/54/89/581375489.db2.gz MLSRTUVVFQWXKD-UHFFFAOYSA-N 1 2 290.367 0.711 20 30 CCEDLO C#CCOCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000784550098 581388597 /nfs/dbraw/zinc/38/85/97/581388597.db2.gz UFIAKTZLQZJSSK-UHFFFAOYSA-N 1 2 288.351 0.563 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000786231259 581434791 /nfs/dbraw/zinc/43/47/91/581434791.db2.gz FCFFCPMQOCXOFL-YPMHNXCESA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000786231259 581434792 /nfs/dbraw/zinc/43/47/92/581434792.db2.gz FCFFCPMQOCXOFL-YPMHNXCESA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796344948 581438085 /nfs/dbraw/zinc/43/80/85/581438085.db2.gz KCUZXNCFYAYRKI-JHJVBQTASA-N 1 2 254.330 0.795 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796344948 581438086 /nfs/dbraw/zinc/43/80/86/581438086.db2.gz KCUZXNCFYAYRKI-JHJVBQTASA-N 1 2 254.330 0.795 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787182947 581459106 /nfs/dbraw/zinc/45/91/06/581459106.db2.gz JONOCIREMHPMCW-JTQLQIEISA-N 1 2 266.345 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787182947 581459108 /nfs/dbraw/zinc/45/91/08/581459108.db2.gz JONOCIREMHPMCW-JTQLQIEISA-N 1 2 266.345 0.005 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000765492223 581519702 /nfs/dbraw/zinc/51/97/02/581519702.db2.gz YYXLVPUMEICDET-UHFFFAOYSA-N 1 2 287.319 0.259 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000766246871 581558561 /nfs/dbraw/zinc/55/85/61/581558561.db2.gz FXQYNHOZFHRBTF-HNNXBMFYSA-N 1 2 274.364 0.582 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000766246871 581558562 /nfs/dbraw/zinc/55/85/62/581558562.db2.gz FXQYNHOZFHRBTF-HNNXBMFYSA-N 1 2 274.364 0.582 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766256652 581559602 /nfs/dbraw/zinc/55/96/02/581559602.db2.gz LWKLMZGEIGYAKT-LBPRGKRZSA-N 1 2 287.367 0.611 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766256652 581559606 /nfs/dbraw/zinc/55/96/06/581559606.db2.gz LWKLMZGEIGYAKT-LBPRGKRZSA-N 1 2 287.367 0.611 20 30 CCEDLO Cc1[nH+]c(C=Nn2c(=O)cn[nH]c2=S)c2ccccn12 ZINC000766476579 581568160 /nfs/dbraw/zinc/56/81/60/581568160.db2.gz AYBYDJVSRFOXSB-UHFFFAOYSA-N 1 2 286.320 0.765 20 30 CCEDLO CO[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766635642 581574468 /nfs/dbraw/zinc/57/44/68/581574468.db2.gz AKWUVSCMACZWOI-LBPRGKRZSA-N 1 2 273.336 0.887 20 30 CCEDLO CO[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766635642 581574471 /nfs/dbraw/zinc/57/44/71/581574471.db2.gz AKWUVSCMACZWOI-LBPRGKRZSA-N 1 2 273.336 0.887 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767113895 581597274 /nfs/dbraw/zinc/59/72/74/581597274.db2.gz YMMXNAZSBJCDQJ-QWRGUYRKSA-N 1 2 284.381 0.105 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767113895 581597277 /nfs/dbraw/zinc/59/72/77/581597277.db2.gz YMMXNAZSBJCDQJ-QWRGUYRKSA-N 1 2 284.381 0.105 20 30 CCEDLO C=CCNC(=S)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729647891 581608851 /nfs/dbraw/zinc/60/88/51/581608851.db2.gz PDLGTAFJHHOLST-GHMZBOCLSA-N 1 2 257.403 0.746 20 30 CCEDLO COC(=O)CNC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755668323 581626888 /nfs/dbraw/zinc/62/68/88/581626888.db2.gz BTRKZCSXRBMIPS-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000770005165 581636611 /nfs/dbraw/zinc/63/66/11/581636611.db2.gz YNQBFUPHBVMLCU-OAHLLOKOSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000770005165 581636613 /nfs/dbraw/zinc/63/66/13/581636613.db2.gz YNQBFUPHBVMLCU-OAHLLOKOSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N(CC)CC ZINC000730273382 581688365 /nfs/dbraw/zinc/68/83/65/581688365.db2.gz STHLSCXBTCQKCW-ZDUSSCGKSA-N 1 2 279.384 0.411 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N(CC)CC ZINC000730273382 581688369 /nfs/dbraw/zinc/68/83/69/581688369.db2.gz STHLSCXBTCQKCW-ZDUSSCGKSA-N 1 2 279.384 0.411 20 30 CCEDLO C#CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000753901635 581710008 /nfs/dbraw/zinc/71/00/08/581710008.db2.gz JUQYYWOFUSPYFL-AWEZNQCLSA-N 1 2 258.321 0.809 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000758192054 581725787 /nfs/dbraw/zinc/72/57/87/581725787.db2.gz MNCSBPKHDOAKAX-UHFFFAOYSA-N 1 2 292.408 0.917 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1=O ZINC000758241976 581731505 /nfs/dbraw/zinc/73/15/05/581731505.db2.gz VIAYWAAUIZKKOG-QWHCGFSZSA-N 1 2 291.376 0.884 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1=O ZINC000758241976 581731507 /nfs/dbraw/zinc/73/15/07/581731507.db2.gz VIAYWAAUIZKKOG-QWHCGFSZSA-N 1 2 291.376 0.884 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741146651 581733044 /nfs/dbraw/zinc/73/30/44/581733044.db2.gz OMOBGAACUJYXIE-WDEREUQCSA-N 1 2 254.330 0.705 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000741146651 581733048 /nfs/dbraw/zinc/73/30/48/581733048.db2.gz OMOBGAACUJYXIE-WDEREUQCSA-N 1 2 254.330 0.705 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC000758959894 581777485 /nfs/dbraw/zinc/77/74/85/581777485.db2.gz PFPKGVXEMDPOAT-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000771147477 581793502 /nfs/dbraw/zinc/79/35/02/581793502.db2.gz QSFVUPKBMYERGM-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO NC(=O)CON=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000771578358 581810702 /nfs/dbraw/zinc/81/07/02/581810702.db2.gz PXVKMFXOJHKDOP-UHFFFAOYSA-N 1 2 284.279 0.356 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C(C)C ZINC000743714136 581823609 /nfs/dbraw/zinc/82/36/09/581823609.db2.gz OQDKWPYOQILLEY-JSGCOSHPSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C(C)C ZINC000743714136 581823611 /nfs/dbraw/zinc/82/36/11/581823611.db2.gz OQDKWPYOQILLEY-JSGCOSHPSA-N 1 2 252.358 0.607 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](Cn3cnnc3)CC2)n1 ZINC000760551429 581864610 /nfs/dbraw/zinc/86/46/10/581864610.db2.gz MCOSKVKQJBDTBQ-UHFFFAOYSA-N 1 2 269.312 0.324 20 30 CCEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cc[nH]c1 ZINC000745192292 581868358 /nfs/dbraw/zinc/86/83/58/581868358.db2.gz DGCAWSHRXBPAJY-UHFFFAOYSA-N 1 2 281.385 0.145 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000760842672 581875341 /nfs/dbraw/zinc/87/53/41/581875341.db2.gz DBBIEGMBVMSLNK-AWEZNQCLSA-N 1 2 263.385 0.638 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000760853003 581876190 /nfs/dbraw/zinc/87/61/90/581876190.db2.gz IDWOSCNOZMOQBH-RYUDHWBXSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000760853003 581876192 /nfs/dbraw/zinc/87/61/92/581876192.db2.gz IDWOSCNOZMOQBH-RYUDHWBXSA-N 1 2 257.330 0.577 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000198105817 581884751 /nfs/dbraw/zinc/88/47/51/581884751.db2.gz LDAWVWRBBOVZQQ-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO Cn1c[nH+]cc1C=NNc1ccccc1S(N)(=O)=O ZINC000773094932 581908185 /nfs/dbraw/zinc/90/81/85/581908185.db2.gz MMYYITVCQKLANY-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1ccccc1S(N)(=O)=O ZINC000773094932 581908189 /nfs/dbraw/zinc/90/81/89/581908189.db2.gz MMYYITVCQKLANY-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746470079 581915669 /nfs/dbraw/zinc/91/56/69/581915669.db2.gz FTHXTUZOPJWDGS-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746470079 581915670 /nfs/dbraw/zinc/91/56/70/581915670.db2.gz FTHXTUZOPJWDGS-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO c1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n[nH]1 ZINC000761858715 581922382 /nfs/dbraw/zinc/92/23/82/581922382.db2.gz YDGLOTVPTBSWBP-UHFFFAOYSA-N 1 2 254.257 0.831 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000762538434 581950028 /nfs/dbraw/zinc/95/00/28/581950028.db2.gz OGVWFYYESXWPKN-JMERFSKESA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000762538434 581950031 /nfs/dbraw/zinc/95/00/31/581950031.db2.gz OGVWFYYESXWPKN-JMERFSKESA-N 1 2 282.409 0.311 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(CC)no2)CC1 ZINC000747818515 581953928 /nfs/dbraw/zinc/95/39/28/581953928.db2.gz UAFFSVVOEPMGEH-UHFFFAOYSA-N 1 2 276.340 0.593 20 30 CCEDLO C[C@]1(O)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000748832284 581989539 /nfs/dbraw/zinc/98/95/39/581989539.db2.gz GJHFAEAISWQUFT-INIZCTEOSA-N 1 2 298.346 0.877 20 30 CCEDLO C[C@]1(O)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000748832284 581989540 /nfs/dbraw/zinc/98/95/40/581989540.db2.gz GJHFAEAISWQUFT-INIZCTEOSA-N 1 2 298.346 0.877 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)[C@H]1CCCO1 ZINC000775324999 582017887 /nfs/dbraw/zinc/01/78/87/582017887.db2.gz ASBNDFLBXDPHLY-RWMBFGLXSA-N 1 2 282.409 0.721 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000750057598 582032696 /nfs/dbraw/zinc/03/26/96/582032696.db2.gz QRCVQKRXJUZVEG-AWEZNQCLSA-N 1 2 293.754 0.380 20 30 CCEDLO CCOCC[NH+]1CC(OC(=O)c2cc(C#N)cn2C)C1 ZINC000776308002 582068788 /nfs/dbraw/zinc/06/87/88/582068788.db2.gz ZJEJCPGGIBHABH-UHFFFAOYSA-N 1 2 277.324 0.774 20 30 CCEDLO CS/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000751463344 582082100 /nfs/dbraw/zinc/08/21/00/582082100.db2.gz LQGGQDBTFUHZFP-KGVSQERTSA-N 1 2 283.397 0.938 20 30 CCEDLO C#CCCN1CC[NH+](CCCC(=O)OCC)CC1 ZINC000776592490 582083247 /nfs/dbraw/zinc/08/32/47/582083247.db2.gz HPSCPKOTDBXOSZ-UHFFFAOYSA-N 1 2 252.358 0.971 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](n3cncn3)C2)c1=O ZINC000776777582 582090793 /nfs/dbraw/zinc/09/07/93/582090793.db2.gz WOBIDNRCORSXHF-LBPRGKRZSA-N 1 2 270.296 0.216 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H](n3cncn3)C2)c1=O ZINC000776777582 582090794 /nfs/dbraw/zinc/09/07/94/582090794.db2.gz WOBIDNRCORSXHF-LBPRGKRZSA-N 1 2 270.296 0.216 20 30 CCEDLO CC(C)(C)[C@@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866385668 614021129 /nfs/dbraw/zinc/02/11/29/614021129.db2.gz OWRUVAFQXMDYEU-ZYOFXKKJSA-N 1 2 265.357 0.929 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000801932609 617297605 /nfs/dbraw/zinc/29/76/05/617297605.db2.gz RLAJOCDKOSTMHS-FZMZJTMJSA-N 1 2 273.336 1.000 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000801932609 617297607 /nfs/dbraw/zinc/29/76/07/617297607.db2.gz RLAJOCDKOSTMHS-FZMZJTMJSA-N 1 2 273.336 1.000 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963627 612967832 /nfs/dbraw/zinc/96/78/32/612967832.db2.gz XBXFNIZIDOGDNR-CYBMUJFWSA-N 1 2 255.321 0.977 20 30 CCEDLO C#CCOCC[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000851850837 612983960 /nfs/dbraw/zinc/98/39/60/612983960.db2.gz XMLVHTIUVLYNEM-UHFFFAOYSA-N 1 2 266.370 0.618 20 30 CCEDLO C#CCOCC[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000879109401 612984689 /nfs/dbraw/zinc/98/46/89/612984689.db2.gz RFODCQMSTVIDRT-UHFFFAOYSA-N 1 2 261.325 0.631 20 30 CCEDLO C#CCOCC[N@H+]1CCc2nc(COC)ncc2C1 ZINC000879109401 612984690 /nfs/dbraw/zinc/98/46/90/612984690.db2.gz RFODCQMSTVIDRT-UHFFFAOYSA-N 1 2 261.325 0.631 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000854007204 612988066 /nfs/dbraw/zinc/98/80/66/612988066.db2.gz OVEQRROJHVZTNS-ZDUSSCGKSA-N 1 2 290.367 0.879 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000856389185 612988451 /nfs/dbraw/zinc/98/84/51/612988451.db2.gz GGMRITCZFXJEQN-CYBMUJFWSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(C)nn(C)c1C ZINC000852752641 612988782 /nfs/dbraw/zinc/98/87/82/612988782.db2.gz GDZKQLXYKNGANK-UHFFFAOYSA-N 1 2 292.383 0.947 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(C)nn(C)c1C ZINC000852752641 612988784 /nfs/dbraw/zinc/98/87/84/612988784.db2.gz GDZKQLXYKNGANK-UHFFFAOYSA-N 1 2 292.383 0.947 20 30 CCEDLO C#CCC[N@@H+](CCOC)CCS(=O)(=O)C(C)C ZINC000852750764 612988799 /nfs/dbraw/zinc/98/87/99/612988799.db2.gz FNOXUYMZUQDSMD-UHFFFAOYSA-N 1 2 261.387 0.781 20 30 CCEDLO C#CCC[N@H+](CCOC)CCS(=O)(=O)C(C)C ZINC000852750764 612988801 /nfs/dbraw/zinc/98/88/01/612988801.db2.gz FNOXUYMZUQDSMD-UHFFFAOYSA-N 1 2 261.387 0.781 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000831852554 613000933 /nfs/dbraw/zinc/00/09/33/613000933.db2.gz DBBVIANJQLJKOH-MGPQQGTHSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855408176 613001342 /nfs/dbraw/zinc/00/13/42/613001342.db2.gz QYZMAGYKUREHNA-YNEHKIRRSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855408176 613001344 /nfs/dbraw/zinc/00/13/44/613001344.db2.gz QYZMAGYKUREHNA-YNEHKIRRSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)nc2N)CC1 ZINC000825077601 613011124 /nfs/dbraw/zinc/01/11/24/613011124.db2.gz BZZRKWQTJIOUQY-UHFFFAOYSA-N 1 2 273.340 0.148 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000831764482 613062577 /nfs/dbraw/zinc/06/25/77/613062577.db2.gz VNDHNCVZYBQUDL-SOUVJXGZSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000831764482 613062578 /nfs/dbraw/zinc/06/25/78/613062578.db2.gz VNDHNCVZYBQUDL-SOUVJXGZSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000847160221 613062796 /nfs/dbraw/zinc/06/27/96/613062796.db2.gz LAYVMMXBQRKXLY-QJPTWQEYSA-N 1 2 261.325 0.414 20 30 CCEDLO C#CC[C@H](NCc1cccc2[nH+]ccn21)C(=O)OC ZINC000839169433 613070938 /nfs/dbraw/zinc/07/09/38/613070938.db2.gz RGXNGQQPYJLQFP-LBPRGKRZSA-N 1 2 257.293 0.989 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000887709408 613073735 /nfs/dbraw/zinc/07/37/35/613073735.db2.gz HSQLWMLRFAIFRR-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCn1ccnc1C=NNCCCn1cc[nH+]c1 ZINC000848417387 613078855 /nfs/dbraw/zinc/07/88/55/613078855.db2.gz XLPNFLDNNNXASK-UHFFFAOYSA-N 1 2 256.313 0.727 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000971539050 613084226 /nfs/dbraw/zinc/08/42/26/613084226.db2.gz JDLOQPXIHLMRDP-OLZOCXBDSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000971539050 613084227 /nfs/dbraw/zinc/08/42/27/613084227.db2.gz JDLOQPXIHLMRDP-OLZOCXBDSA-N 1 2 286.379 0.996 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000822074456 613098393 /nfs/dbraw/zinc/09/83/93/613098393.db2.gz XHPMCEMKOMKMQP-UZWSLXQKSA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000822074456 613098394 /nfs/dbraw/zinc/09/83/94/613098394.db2.gz XHPMCEMKOMKMQP-UZWSLXQKSA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000847309979 613104958 /nfs/dbraw/zinc/10/49/58/613104958.db2.gz GZYOYIIRGLRBQO-LSDHHAIUSA-N 1 2 292.427 0.677 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909923631 613109211 /nfs/dbraw/zinc/10/92/11/613109211.db2.gz OUFYIOZZZVETLX-JWAFFJSPSA-N 1 2 278.352 0.126 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)C1 ZINC000941681484 613115209 /nfs/dbraw/zinc/11/52/09/613115209.db2.gz SBRFDXMNLCKGNN-CQSZACIVSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cscn3)CC2)C1 ZINC000941343523 613116114 /nfs/dbraw/zinc/11/61/14/613116114.db2.gz IKMWCXQHTGCVSU-UHFFFAOYSA-N 1 2 290.392 0.218 20 30 CCEDLO C#C[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000879002636 613126380 /nfs/dbraw/zinc/12/63/80/613126380.db2.gz YAMIXMADLRFDSW-SNVBAGLBSA-N 1 2 262.313 0.572 20 30 CCEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CCOCC1 ZINC000856099665 613133479 /nfs/dbraw/zinc/13/34/79/613133479.db2.gz FOKPYVFEFMADTJ-ZDUSSCGKSA-N 1 2 264.369 0.873 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000878454114 613150813 /nfs/dbraw/zinc/15/08/13/613150813.db2.gz SQZLSNKITRXLRJ-QWRGUYRKSA-N 1 2 264.285 0.599 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)[C@H]1CCCO1 ZINC000865531103 613151026 /nfs/dbraw/zinc/15/10/26/613151026.db2.gz GOGMPNFUQVFNQJ-SOUVJXGZSA-N 1 2 290.367 0.728 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(CC2CC2)nn1)[C@H]1CCCO1 ZINC000828952533 613151180 /nfs/dbraw/zinc/15/11/80/613151180.db2.gz ABEWSDJVKKWXIA-UONOGXRCSA-N 1 2 260.341 0.959 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000847284437 613157392 /nfs/dbraw/zinc/15/73/92/613157392.db2.gz IJAWNKXGUZLIES-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000838270773 613162096 /nfs/dbraw/zinc/16/20/96/613162096.db2.gz GKBCYURLQKQNJX-NSHDSACASA-N 1 2 255.277 0.809 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(C(=O)C3CC3)CC2)C1 ZINC000923558207 613181346 /nfs/dbraw/zinc/18/13/46/613181346.db2.gz XTHMIPILBYDRJD-ZDUSSCGKSA-N 1 2 274.364 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)C3CC3)CC2)C1 ZINC000923558207 613181348 /nfs/dbraw/zinc/18/13/48/613181348.db2.gz XTHMIPILBYDRJD-ZDUSSCGKSA-N 1 2 274.364 0.960 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)nc1 ZINC000807283242 613183809 /nfs/dbraw/zinc/18/38/09/613183809.db2.gz XYFAUDSMPMKSLC-ZDUSSCGKSA-N 1 2 298.302 0.231 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)CCCC)C1 ZINC000885513962 613193320 /nfs/dbraw/zinc/19/33/20/613193320.db2.gz LNGPQMSTFAGVLP-ZDUSSCGKSA-N 1 2 287.429 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)CCCC)C1 ZINC000885513962 613193321 /nfs/dbraw/zinc/19/33/21/613193321.db2.gz LNGPQMSTFAGVLP-ZDUSSCGKSA-N 1 2 287.429 0.650 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000930639486 613194801 /nfs/dbraw/zinc/19/48/01/613194801.db2.gz IQMKDGULADKWPG-GFCCVEGCSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000930639486 613194803 /nfs/dbraw/zinc/19/48/03/613194803.db2.gz IQMKDGULADKWPG-GFCCVEGCSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891038371 613201438 /nfs/dbraw/zinc/20/14/38/613201438.db2.gz MKZWBXGYMLNJNP-MJBXVCDLSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891038371 613201441 /nfs/dbraw/zinc/20/14/41/613201441.db2.gz MKZWBXGYMLNJNP-MJBXVCDLSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\COC2CCOCC2)CC1 ZINC000865795223 613204349 /nfs/dbraw/zinc/20/43/49/613204349.db2.gz MFYRLWQYPMYKIJ-ARJAWSKDSA-N 1 2 292.379 0.516 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972316669 613210500 /nfs/dbraw/zinc/21/05/00/613210500.db2.gz ODTRHXWUHOGYJL-KJPDOMRESA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972316669 613210501 /nfs/dbraw/zinc/21/05/01/613210501.db2.gz ODTRHXWUHOGYJL-KJPDOMRESA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972684955 613210797 /nfs/dbraw/zinc/21/07/97/613210797.db2.gz ZHYITEBUYGFDGR-INIZCTEOSA-N 1 2 287.363 0.494 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972684955 613210799 /nfs/dbraw/zinc/21/07/99/613210799.db2.gz ZHYITEBUYGFDGR-INIZCTEOSA-N 1 2 287.363 0.494 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3=CCOCC3)C2)C1 ZINC000972354730 613212515 /nfs/dbraw/zinc/21/25/15/613212515.db2.gz FADQAOPGLSRDDJ-MRXNPFEDSA-N 1 2 290.363 0.270 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3=CCOCC3)C2)C1 ZINC000972354730 613212517 /nfs/dbraw/zinc/21/25/17/613212517.db2.gz FADQAOPGLSRDDJ-MRXNPFEDSA-N 1 2 290.363 0.270 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC000913452422 613213818 /nfs/dbraw/zinc/21/38/18/613213818.db2.gz GFOAIFPEEHWKGB-CQSZACIVSA-N 1 2 281.319 0.573 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)c1 ZINC000928652434 613219021 /nfs/dbraw/zinc/21/90/21/613219021.db2.gz ZGUVZQXRGXSHJK-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823873575 613282615 /nfs/dbraw/zinc/28/26/15/613282615.db2.gz NNWUGABCHARMJW-GFCCVEGCSA-N 1 2 286.339 0.901 20 30 CCEDLO C=C(C)C[N@H+](C)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823873575 613282616 /nfs/dbraw/zinc/28/26/16/613282616.db2.gz NNWUGABCHARMJW-GFCCVEGCSA-N 1 2 286.339 0.901 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000949238214 613320448 /nfs/dbraw/zinc/32/04/48/613320448.db2.gz SVFHSZZGBFJHMA-UHFFFAOYSA-N 1 2 290.367 1.000 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000962178284 613321934 /nfs/dbraw/zinc/32/19/34/613321934.db2.gz JNMBXEZACJAUQN-PBOSXPJTSA-N 1 2 298.390 0.828 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000962178284 613321936 /nfs/dbraw/zinc/32/19/36/613321936.db2.gz JNMBXEZACJAUQN-PBOSXPJTSA-N 1 2 298.390 0.828 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000815015460 613323837 /nfs/dbraw/zinc/32/38/37/613323837.db2.gz IHRKBKOFPLNDRJ-UHFFFAOYSA-N 1 2 298.346 0.907 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000815015460 613323839 /nfs/dbraw/zinc/32/38/39/613323839.db2.gz IHRKBKOFPLNDRJ-UHFFFAOYSA-N 1 2 298.346 0.907 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845610892 613353233 /nfs/dbraw/zinc/35/32/33/613353233.db2.gz PRJUEVTWHJEYMQ-TXEJJXNPSA-N 1 2 269.345 0.657 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845610892 613353234 /nfs/dbraw/zinc/35/32/34/613353234.db2.gz PRJUEVTWHJEYMQ-TXEJJXNPSA-N 1 2 269.345 0.657 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000883274461 613354729 /nfs/dbraw/zinc/35/47/29/613354729.db2.gz KTYWKWPLLMMLPW-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000883274461 613354730 /nfs/dbraw/zinc/35/47/30/613354730.db2.gz KTYWKWPLLMMLPW-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844339693 613360267 /nfs/dbraw/zinc/36/02/67/613360267.db2.gz BDKFSZWBQRVFBC-GFCCVEGCSA-N 1 2 298.383 0.409 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000906776809 613363076 /nfs/dbraw/zinc/36/30/76/613363076.db2.gz FGORMNLKYJZAKE-LJISPDSOSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000906776809 613363077 /nfs/dbraw/zinc/36/30/77/613363077.db2.gz FGORMNLKYJZAKE-LJISPDSOSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969582434 613371837 /nfs/dbraw/zinc/37/18/37/613371837.db2.gz CZATXWBBGCRUHM-SECBINFHSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981523867 613373553 /nfs/dbraw/zinc/37/35/53/613373553.db2.gz YXCUZJYTCNJBAK-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000981523867 613373554 /nfs/dbraw/zinc/37/35/54/613373554.db2.gz YXCUZJYTCNJBAK-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C)C1 ZINC000968207223 613398785 /nfs/dbraw/zinc/39/87/85/613398785.db2.gz AUIPNOKTQVMBGD-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C)C1 ZINC000968207223 613398787 /nfs/dbraw/zinc/39/87/87/613398787.db2.gz AUIPNOKTQVMBGD-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848831 613399442 /nfs/dbraw/zinc/39/94/42/613399442.db2.gz QKMJPRYCCDUHCZ-UWVGGRQHSA-N 1 2 256.302 0.534 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848831 613399446 /nfs/dbraw/zinc/39/94/46/613399446.db2.gz QKMJPRYCCDUHCZ-UWVGGRQHSA-N 1 2 256.302 0.534 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946448 613411232 /nfs/dbraw/zinc/41/12/32/613411232.db2.gz JYOMYQHKNZEYRJ-VHSXEESVSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946448 613411233 /nfs/dbraw/zinc/41/12/33/613411233.db2.gz JYOMYQHKNZEYRJ-VHSXEESVSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C(=O)OC ZINC000905775585 613419257 /nfs/dbraw/zinc/41/92/57/613419257.db2.gz BNAGOZADXJEIFU-VIFPVBQESA-N 1 2 278.374 0.008 20 30 CCEDLO C=CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)OC ZINC000878423221 613419980 /nfs/dbraw/zinc/41/99/80/613419980.db2.gz PZIXOCYFPVNZOJ-DCAQKATOSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCn1cccc1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000950512714 613436119 /nfs/dbraw/zinc/43/61/19/613436119.db2.gz XJEDFKYVMJJJOA-UHFFFAOYSA-N 1 2 277.368 0.813 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@H](CCC(=O)OC)C(=O)OC)CC1 ZINC000886778676 613460593 /nfs/dbraw/zinc/46/05/93/613460593.db2.gz NWUFJDLENXYTLK-GFCCVEGCSA-N 1 2 299.367 0.884 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000845616535 613486232 /nfs/dbraw/zinc/48/62/32/613486232.db2.gz KOVGPVQEVPKBMV-FRRDWIJNSA-N 1 2 283.372 0.997 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000815281612 613524137 /nfs/dbraw/zinc/52/41/37/613524137.db2.gz LFHPTYOXTXYKMB-UHFFFAOYSA-N 1 2 266.341 0.307 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000815281612 613524142 /nfs/dbraw/zinc/52/41/42/613524142.db2.gz LFHPTYOXTXYKMB-UHFFFAOYSA-N 1 2 266.341 0.307 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2[nH]nnc2C)CC1 ZINC000981733842 613552890 /nfs/dbraw/zinc/55/28/90/613552890.db2.gz OTTDSZULKHOFJF-UHFFFAOYSA-N 1 2 261.329 0.284 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2[nH]nnc2C)CC1 ZINC000981733842 613552891 /nfs/dbraw/zinc/55/28/91/613552891.db2.gz OTTDSZULKHOFJF-UHFFFAOYSA-N 1 2 261.329 0.284 20 30 CCEDLO C=CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824909572 613569406 /nfs/dbraw/zinc/56/94/06/613569406.db2.gz GHSGKGSFVKRWDX-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506035 613570699 /nfs/dbraw/zinc/57/06/99/613570699.db2.gz IBVGXIOGPURQQZ-OFQRWUPVSA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506035 613570700 /nfs/dbraw/zinc/57/07/00/613570700.db2.gz IBVGXIOGPURQQZ-OFQRWUPVSA-N 1 2 276.380 0.969 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551748 613579066 /nfs/dbraw/zinc/57/90/66/613579066.db2.gz XUCZHWQVIUISGV-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551748 613579067 /nfs/dbraw/zinc/57/90/67/613579067.db2.gz XUCZHWQVIUISGV-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913444951 613579078 /nfs/dbraw/zinc/57/90/78/613579078.db2.gz ICYVNTLUEIMTDZ-DGCLKSJQSA-N 1 2 278.356 0.864 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925604283 613588509 /nfs/dbraw/zinc/58/85/09/613588509.db2.gz IQJCEFDHWXKGPG-UONOGXRCSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)nn1 ZINC000857977725 613595713 /nfs/dbraw/zinc/59/57/13/613595713.db2.gz YOITUSVQBOOYHR-JTQLQIEISA-N 1 2 272.312 0.926 20 30 CCEDLO CC#CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935146554 613644522 /nfs/dbraw/zinc/64/45/22/613644522.db2.gz UXAUBJBNZBOPRP-OLZOCXBDSA-N 1 2 266.341 0.006 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000844112609 613652547 /nfs/dbraw/zinc/65/25/47/613652547.db2.gz LYMJMARHXHEMOR-LLVKDONJSA-N 1 2 257.293 0.838 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC000951125783 613655517 /nfs/dbraw/zinc/65/55/17/613655517.db2.gz DRYBSMKTTXNPGW-NEPJUHHUSA-N 1 2 265.357 0.217 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000956983461 613706847 /nfs/dbraw/zinc/70/68/47/613706847.db2.gz GHOOQMJLLUKCOQ-UHFFFAOYSA-N 1 2 293.411 0.572 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CCC(C(N)=O)CC2)CC1 ZINC000949029928 613707804 /nfs/dbraw/zinc/70/78/04/613707804.db2.gz VQJCSBUZJYTFHD-UHFFFAOYSA-N 1 2 279.384 0.608 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC000957304501 613708950 /nfs/dbraw/zinc/70/89/50/613708950.db2.gz UELURUVWBZULAK-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC000950441534 613712976 /nfs/dbraw/zinc/71/29/76/613712976.db2.gz DTRONSOEICGSBW-GFCCVEGCSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000957727439 613713272 /nfs/dbraw/zinc/71/32/72/613713272.db2.gz KAQXXPKOHNTUCL-LBPRGKRZSA-N 1 2 274.368 0.845 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000957885605 613715789 /nfs/dbraw/zinc/71/57/89/613715789.db2.gz PBCXYZIRZMHXQV-UHFFFAOYSA-N 1 2 274.324 0.124 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972242270 613723323 /nfs/dbraw/zinc/72/33/23/613723323.db2.gz LREKDNIGQGILAC-ZFWWWQNUSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972242270 613723327 /nfs/dbraw/zinc/72/33/27/613723327.db2.gz LREKDNIGQGILAC-ZFWWWQNUSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972369731 613724169 /nfs/dbraw/zinc/72/41/69/613724169.db2.gz HTHDRTRCPIVVLI-HIFRSBDPSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972369731 613724170 /nfs/dbraw/zinc/72/41/70/613724170.db2.gz HTHDRTRCPIVVLI-HIFRSBDPSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972591617 613724716 /nfs/dbraw/zinc/72/47/16/613724716.db2.gz CSBJGLNTHAHJMP-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972591617 613724717 /nfs/dbraw/zinc/72/47/17/613724717.db2.gz CSBJGLNTHAHJMP-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243664 613725382 /nfs/dbraw/zinc/72/53/82/613725382.db2.gz SDFYXACOLFPQPF-CYBMUJFWSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243664 613725383 /nfs/dbraw/zinc/72/53/83/613725383.db2.gz SDFYXACOLFPQPF-CYBMUJFWSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321455 613732767 /nfs/dbraw/zinc/73/27/67/613732767.db2.gz CCOLSASDGMMTPO-ZYHUDNBSSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321455 613732768 /nfs/dbraw/zinc/73/27/68/613732768.db2.gz CCOLSASDGMMTPO-ZYHUDNBSSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]3COCC[C@@H]32)C1=O ZINC000933965830 613778528 /nfs/dbraw/zinc/77/85/28/613778528.db2.gz HVTNZRBFIDQULY-RWMBFGLXSA-N 1 2 266.341 0.263 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H]3COCC[C@@H]32)C1=O ZINC000933965830 613778530 /nfs/dbraw/zinc/77/85/30/613778530.db2.gz HVTNZRBFIDQULY-RWMBFGLXSA-N 1 2 266.341 0.263 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCC(=O)CC(C)C)CC1 ZINC000827701166 613845746 /nfs/dbraw/zinc/84/57/46/613845746.db2.gz AADVRVRXLBJMKH-UHFFFAOYSA-N 1 2 295.427 0.912 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931323373 613854939 /nfs/dbraw/zinc/85/49/39/613854939.db2.gz HXZCJCSLMTUEKJ-NSHDSACASA-N 1 2 293.367 0.814 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931323373 613854940 /nfs/dbraw/zinc/85/49/40/613854940.db2.gz HXZCJCSLMTUEKJ-NSHDSACASA-N 1 2 293.367 0.814 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCCC1 ZINC000884062835 613877088 /nfs/dbraw/zinc/87/70/88/613877088.db2.gz CGGWBEXLHAXUQM-NSHDSACASA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)OC ZINC000884173304 613877279 /nfs/dbraw/zinc/87/72/79/613877279.db2.gz ROBAUZPBFGIEIV-JTQLQIEISA-N 1 2 272.345 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)CC#N ZINC000884453289 613877346 /nfs/dbraw/zinc/87/73/46/613877346.db2.gz KOHZTVWIHBJWDQ-ZJUUUORDSA-N 1 2 253.302 0.194 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](COCC)C1 ZINC000884166966 613877763 /nfs/dbraw/zinc/87/77/63/613877763.db2.gz QUCQJAANKWFKNK-RYUDHWBXSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000884045589 613877793 /nfs/dbraw/zinc/87/77/93/613877793.db2.gz ZSUBAHSCFMTJLD-SRVKXCTJSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOc2ccccc21 ZINC000884089428 613877808 /nfs/dbraw/zinc/87/78/08/613877808.db2.gz PEGCTVMFCXWWBP-NSHDSACASA-N 1 2 290.319 0.859 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCNc1ccccc1 ZINC000884185391 613878259 /nfs/dbraw/zinc/87/82/59/613878259.db2.gz VEJMWZCHUFIIFI-ZDUSSCGKSA-N 1 2 291.351 0.661 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000884321110 613878694 /nfs/dbraw/zinc/87/86/94/613878694.db2.gz GOTVCAZUNJTLEW-AVGNSLFASA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC000884393102 613878724 /nfs/dbraw/zinc/87/87/24/613878724.db2.gz VEUQMFXSTMQKAP-YNEHKIRRSA-N 1 2 298.383 0.897 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000884321112 613878862 /nfs/dbraw/zinc/87/88/62/613878862.db2.gz GOTVCAZUNJTLEW-RWMBFGLXSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000884168669 613878922 /nfs/dbraw/zinc/87/89/22/613878922.db2.gz LCTXYPFOSWTPNQ-PGUXBMHVSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000927526308 613882917 /nfs/dbraw/zinc/88/29/17/613882917.db2.gz LLQMHAMWQGIQEI-LLVKDONJSA-N 1 2 278.312 0.086 20 30 CCEDLO C=CCONC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000845241731 613883467 /nfs/dbraw/zinc/88/34/67/613883467.db2.gz DTIKOSPVWACGFT-UHFFFAOYSA-N 1 2 287.360 0.094 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844139454 613885505 /nfs/dbraw/zinc/88/55/05/613885505.db2.gz OISSMMFYZRVMDT-NSHDSACASA-N 1 2 297.380 0.163 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926127642 613885835 /nfs/dbraw/zinc/88/58/35/613885835.db2.gz XKLWTCARQBOLOV-VIFPVBQESA-N 1 2 258.347 0.067 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000828100113 614187173 /nfs/dbraw/zinc/18/71/73/614187173.db2.gz ZMMUNGRINNFQGG-SJCJKPOMSA-N 1 2 257.403 0.531 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000914403572 614287786 /nfs/dbraw/zinc/28/77/86/614287786.db2.gz IRWHHQUAHOWLNM-NSHDSACASA-N 1 2 296.396 0.915 20 30 CCEDLO CC1(C)CN(C(=O)C[NH+]2CCC(C#N)CC2)CCO1 ZINC000929416036 614585901 /nfs/dbraw/zinc/58/59/01/614585901.db2.gz XRAOONPZAJUBBB-UHFFFAOYSA-N 1 2 265.357 0.859 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000810028495 614611476 /nfs/dbraw/zinc/61/14/76/614611476.db2.gz KFIZWRYIRUEAJO-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000810028495 614611479 /nfs/dbraw/zinc/61/14/79/614611479.db2.gz KFIZWRYIRUEAJO-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000915551424 615161447 /nfs/dbraw/zinc/16/14/47/615161447.db2.gz YBKJULDRIQQPEJ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000915551424 615161448 /nfs/dbraw/zinc/16/14/48/615161448.db2.gz YBKJULDRIQQPEJ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000874711838 615569020 /nfs/dbraw/zinc/56/90/20/615569020.db2.gz NJMHFOCPRWIBTG-HIFRSBDPSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000874711838 615569021 /nfs/dbraw/zinc/56/90/21/615569021.db2.gz NJMHFOCPRWIBTG-HIFRSBDPSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)CC#N ZINC000928646567 615717820 /nfs/dbraw/zinc/71/78/20/615717820.db2.gz CDYNQXDDESSYJC-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)n1 ZINC000928647045 615719124 /nfs/dbraw/zinc/71/91/24/615719124.db2.gz IAUZBLHXMQOJJI-GFCCVEGCSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)nn1 ZINC000895800336 615720410 /nfs/dbraw/zinc/72/04/10/615720410.db2.gz AEWBXQGNXBHHNW-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)ncn1 ZINC000895801217 615720573 /nfs/dbraw/zinc/72/05/73/615720573.db2.gz NRVWAGFIIRVUPD-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC#N ZINC000875541218 615925053 /nfs/dbraw/zinc/92/50/53/615925053.db2.gz XWOJUIQPOQATHF-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC#N ZINC000875541218 615925057 /nfs/dbraw/zinc/92/50/57/615925057.db2.gz XWOJUIQPOQATHF-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000874707866 615928859 /nfs/dbraw/zinc/92/88/59/615928859.db2.gz HJAFGVMILNLHJS-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000874707866 615928861 /nfs/dbraw/zinc/92/88/61/615928861.db2.gz HJAFGVMILNLHJS-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(C)c1ccc(C=[NH+]NC2=NCC(=O)N2)cc1F ZINC000863174782 616013879 /nfs/dbraw/zinc/01/38/79/616013879.db2.gz CFRNHISRBJEONE-UHFFFAOYSA-N 1 2 263.276 0.301 20 30 CCEDLO CN(C(=O)C[N@H+](C)C[C@H](O)CC#N)C1CCCCC1 ZINC000929279518 616042181 /nfs/dbraw/zinc/04/21/81/616042181.db2.gz GGQYCCVIIHIXAN-CYBMUJFWSA-N 1 2 267.373 0.984 20 30 CCEDLO CN(C(=O)C[N@@H+](C)C[C@H](O)CC#N)C1CCCCC1 ZINC000929279518 616042182 /nfs/dbraw/zinc/04/21/82/616042182.db2.gz GGQYCCVIIHIXAN-CYBMUJFWSA-N 1 2 267.373 0.984 20 30 CCEDLO C[N@H+](CCS(C)(=O)=O)C[C@H](O)CC1(C#N)CCC1 ZINC000885983607 616119727 /nfs/dbraw/zinc/11/97/27/616119727.db2.gz KKCROWSUDRNOPR-LLVKDONJSA-N 1 2 274.386 0.408 20 30 CCEDLO C[N@@H+](CCS(C)(=O)=O)C[C@H](O)CC1(C#N)CCC1 ZINC000885983607 616119728 /nfs/dbraw/zinc/11/97/28/616119728.db2.gz KKCROWSUDRNOPR-LLVKDONJSA-N 1 2 274.386 0.408 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886018656 616242897 /nfs/dbraw/zinc/24/28/97/616242897.db2.gz FULFZPQEHSSEBC-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886018656 616242898 /nfs/dbraw/zinc/24/28/98/616242898.db2.gz FULFZPQEHSSEBC-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928799886 616479231 /nfs/dbraw/zinc/47/92/31/616479231.db2.gz FZOMSZAQFCQWGZ-MRTMQBJTSA-N 1 2 279.262 0.402 20 30 CCEDLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928799886 616479234 /nfs/dbraw/zinc/47/92/34/616479234.db2.gz FZOMSZAQFCQWGZ-MRTMQBJTSA-N 1 2 279.262 0.402 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000871342449 616545725 /nfs/dbraw/zinc/54/57/25/616545725.db2.gz NRLSDIOMHYKXCQ-NSHDSACASA-N 1 2 290.323 0.361 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126397 616784185 /nfs/dbraw/zinc/78/41/85/616784185.db2.gz TVMNGVIVXQZFMY-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126397 616784189 /nfs/dbraw/zinc/78/41/89/616784189.db2.gz TVMNGVIVXQZFMY-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000901051090 616817312 /nfs/dbraw/zinc/81/73/12/616817312.db2.gz ICQQELIAHNTDKS-JSGCOSHPSA-N 1 2 291.355 0.835 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000901051090 616817315 /nfs/dbraw/zinc/81/73/15/616817315.db2.gz ICQQELIAHNTDKS-JSGCOSHPSA-N 1 2 291.355 0.835 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC1(O)CCCC1 ZINC000878159613 616992959 /nfs/dbraw/zinc/99/29/59/616992959.db2.gz ODRJPOWLAZJILG-ZDUSSCGKSA-N 1 2 270.373 0.905 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCCC1 ZINC000878159613 616992961 /nfs/dbraw/zinc/99/29/61/616992961.db2.gz ODRJPOWLAZJILG-ZDUSSCGKSA-N 1 2 270.373 0.905 20 30 CCEDLO CON=CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927763733 617105703 /nfs/dbraw/zinc/10/57/03/617105703.db2.gz LTIVGEBBLAVLMZ-UHFFFAOYSA-N 1 2 256.331 0.453 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001022734128 622708408 /nfs/dbraw/zinc/70/84/08/622708408.db2.gz LXOQUYXAQBMZSH-WRWGMCAJSA-N 1 2 273.340 0.284 20 30 CCEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC000934464030 622709142 /nfs/dbraw/zinc/70/91/42/622709142.db2.gz AYECGRBPUVUPLX-VIFPVBQESA-N 1 2 250.302 0.509 20 30 CCEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC000934464030 622709150 /nfs/dbraw/zinc/70/91/50/622709150.db2.gz AYECGRBPUVUPLX-VIFPVBQESA-N 1 2 250.302 0.509 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934577583 622764674 /nfs/dbraw/zinc/76/46/74/622764674.db2.gz QNJBWFKUSJJUKS-MGPQQGTHSA-N 1 2 264.300 0.996 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934577583 622764686 /nfs/dbraw/zinc/76/46/86/622764686.db2.gz QNJBWFKUSJJUKS-MGPQQGTHSA-N 1 2 264.300 0.996 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(F)F)C2)C1 ZINC000972430690 622835306 /nfs/dbraw/zinc/83/53/06/622835306.db2.gz JGBWRGFAALYXOK-OCCSQVGLSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(F)F)C2)C1 ZINC000972430690 622835307 /nfs/dbraw/zinc/83/53/07/622835307.db2.gz JGBWRGFAALYXOK-OCCSQVGLSA-N 1 2 298.333 0.968 20 30 CCEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023428114 623029610 /nfs/dbraw/zinc/02/96/10/623029610.db2.gz YVGGOIPNHRPDEL-YNEHKIRRSA-N 1 2 287.367 0.865 20 30 CCEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023428114 623029617 /nfs/dbraw/zinc/02/96/17/623029617.db2.gz YVGGOIPNHRPDEL-YNEHKIRRSA-N 1 2 287.367 0.865 20 30 CCEDLO C[C@H](C#N)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923776178 623333102 /nfs/dbraw/zinc/33/31/02/623333102.db2.gz XNNHRFOEAJSMJI-UTUOFQBUSA-N 1 2 268.313 0.321 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000892657736 623630309 /nfs/dbraw/zinc/63/03/09/623630309.db2.gz PDUJPTRWZAVUAR-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020432286 624475966 /nfs/dbraw/zinc/47/59/66/624475966.db2.gz HUSKRTOOENPZOB-IHRRRGAJSA-N 1 2 294.399 0.248 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020432286 624475967 /nfs/dbraw/zinc/47/59/67/624475967.db2.gz HUSKRTOOENPZOB-IHRRRGAJSA-N 1 2 294.399 0.248 20 30 CCEDLO Cc1nonc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027335762 625836416 /nfs/dbraw/zinc/83/64/16/625836416.db2.gz JTMOFWSZSRXSJI-JQWIXIFHSA-N 1 2 291.355 0.961 20 30 CCEDLO Cc1nonc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027335762 625836421 /nfs/dbraw/zinc/83/64/21/625836421.db2.gz JTMOFWSZSRXSJI-JQWIXIFHSA-N 1 2 291.355 0.961 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007454701 650078720 /nfs/dbraw/zinc/07/87/20/650078720.db2.gz YSNRXZCEPFFOKK-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007454701 650078723 /nfs/dbraw/zinc/07/87/23/650078723.db2.gz YSNRXZCEPFFOKK-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)CC)CC2)CC1 ZINC000985824817 632649102 /nfs/dbraw/zinc/64/91/02/632649102.db2.gz JBYFPVLNJHJSGB-UHFFFAOYSA-N 1 2 294.399 0.464 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)n1 ZINC000986278232 632736246 /nfs/dbraw/zinc/73/62/46/632736246.db2.gz KXJNNKSARSAFNK-GXFFZTMASA-N 1 2 288.351 0.870 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986358357 632746179 /nfs/dbraw/zinc/74/61/79/632746179.db2.gz ZJROOXASHPCBQA-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986358357 632746185 /nfs/dbraw/zinc/74/61/85/632746185.db2.gz ZJROOXASHPCBQA-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986600895 632778459 /nfs/dbraw/zinc/77/84/59/632778459.db2.gz JHULAWRRJYJPEZ-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000988825556 633119052 /nfs/dbraw/zinc/11/90/52/633119052.db2.gz MEKPCLJWDCNYPI-GXFFZTMASA-N 1 2 288.351 0.870 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NCC#N)C[C@@H]1C ZINC000989039409 633139734 /nfs/dbraw/zinc/13/97/34/633139734.db2.gz FMJPUVBCRJONSL-AAEUAGOBSA-N 1 2 288.351 0.735 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cc1c[nH+]cn1C ZINC000989674863 633342896 /nfs/dbraw/zinc/34/28/96/633342896.db2.gz CQPVLFQITXWXRD-WDEREUQCSA-N 1 2 261.329 0.065 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001009526377 650147639 /nfs/dbraw/zinc/14/76/39/650147639.db2.gz YFENOTFHQLKRIY-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001009526377 650147648 /nfs/dbraw/zinc/14/76/48/650147648.db2.gz YFENOTFHQLKRIY-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CCOC3=O)C2)nc1 ZINC000902279137 634350312 /nfs/dbraw/zinc/35/03/12/634350312.db2.gz SSCONENVTORHHY-GFCCVEGCSA-N 1 2 288.307 0.816 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CCOC3=O)C2)nc1 ZINC000902279137 634350317 /nfs/dbraw/zinc/35/03/17/634350317.db2.gz SSCONENVTORHHY-GFCCVEGCSA-N 1 2 288.307 0.816 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CCOC3=O)C2)nc1 ZINC000902279141 634350961 /nfs/dbraw/zinc/35/09/61/634350961.db2.gz SSCONENVTORHHY-LBPRGKRZSA-N 1 2 288.307 0.816 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CCOC3=O)C2)nc1 ZINC000902279141 634350969 /nfs/dbraw/zinc/35/09/69/634350969.db2.gz SSCONENVTORHHY-LBPRGKRZSA-N 1 2 288.307 0.816 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010570815 650243529 /nfs/dbraw/zinc/24/35/29/650243529.db2.gz RVMBIGBMUHPVQX-MNOVXSKESA-N 1 2 286.759 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010570815 650243530 /nfs/dbraw/zinc/24/35/30/650243530.db2.gz RVMBIGBMUHPVQX-MNOVXSKESA-N 1 2 286.759 0.883 20 30 CCEDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(C#CCO)c1 ZINC000911573206 636296116 /nfs/dbraw/zinc/29/61/16/636296116.db2.gz ZAEKBZYZTXYDJO-OAHLLOKOSA-N 1 2 295.342 0.972 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454058 636810764 /nfs/dbraw/zinc/81/07/64/636810764.db2.gz XOKDMMMFUAKUFS-WCQYABFASA-N 1 2 261.329 0.822 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C3(C#N)CCCC3)CC[NH2+]2)cn1 ZINC000913472263 636821590 /nfs/dbraw/zinc/82/15/90/636821590.db2.gz RYAYVVSNUJDIMM-ZDUSSCGKSA-N 1 2 287.367 0.977 20 30 CCEDLO C#CCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000174103043 637243851 /nfs/dbraw/zinc/24/38/51/637243851.db2.gz BYOBORGOUKPTOA-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC000992344501 637371744 /nfs/dbraw/zinc/37/17/44/637371744.db2.gz HXEGUNHAGXCKLH-BXUZGUMPSA-N 1 2 273.340 0.589 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000182609990 638496993 /nfs/dbraw/zinc/49/69/93/638496993.db2.gz SWRIOAAAIXDVJZ-UHFFFAOYSA-N 1 2 267.329 0.553 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000182609990 638496996 /nfs/dbraw/zinc/49/69/96/638496996.db2.gz SWRIOAAAIXDVJZ-UHFFFAOYSA-N 1 2 267.329 0.553 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)o1 ZINC000995580442 638779434 /nfs/dbraw/zinc/77/94/34/638779434.db2.gz KTFPARMXDAZQGT-MWLCHTKSSA-N 1 2 291.355 0.864 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001000892319 639185344 /nfs/dbraw/zinc/18/53/44/639185344.db2.gz WYPCTYVDCMUWPV-UHFFFAOYSA-N 1 2 281.747 0.919 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001000892319 639185347 /nfs/dbraw/zinc/18/53/47/639185347.db2.gz WYPCTYVDCMUWPV-UHFFFAOYSA-N 1 2 281.747 0.919 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014708287 650481040 /nfs/dbraw/zinc/48/10/40/650481040.db2.gz VQSVSPABFWSTCS-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001014708287 650481042 /nfs/dbraw/zinc/48/10/42/650481042.db2.gz VQSVSPABFWSTCS-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)c2nnc[nH]2)CC1 ZINC001001952720 639347956 /nfs/dbraw/zinc/34/79/56/639347956.db2.gz HOVUNVUKYSXKLK-UHFFFAOYSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001001952720 639347964 /nfs/dbraw/zinc/34/79/64/639347964.db2.gz HOVUNVUKYSXKLK-UHFFFAOYSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)c2nc[nH]n2)CC1 ZINC001001952720 639347969 /nfs/dbraw/zinc/34/79/69/639347969.db2.gz HOVUNVUKYSXKLK-UHFFFAOYSA-N 1 2 283.763 0.999 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)CC2CS(=O)(=O)C2)CC1 ZINC001003206848 639516725 /nfs/dbraw/zinc/51/67/25/639516725.db2.gz IQMDFLJSZPTIEY-UHFFFAOYSA-N 1 2 298.408 0.025 20 30 CCEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001004582902 639826151 /nfs/dbraw/zinc/82/61/51/639826151.db2.gz MVZXNRVCVAHQII-LBPRGKRZSA-N 1 2 288.355 0.645 20 30 CCEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001004582902 639826155 /nfs/dbraw/zinc/82/61/55/639826155.db2.gz MVZXNRVCVAHQII-LBPRGKRZSA-N 1 2 288.355 0.645 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015377663 650560052 /nfs/dbraw/zinc/56/00/52/650560052.db2.gz SPUZKWDJXVHKQQ-GWCFXTLKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001015377663 650560053 /nfs/dbraw/zinc/56/00/53/650560053.db2.gz SPUZKWDJXVHKQQ-GWCFXTLKSA-N 1 2 285.775 0.456 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779213323 640418508 /nfs/dbraw/zinc/41/85/08/640418508.db2.gz GHAISJFVLJGCMF-ZFWWWQNUSA-N 1 2 296.330 0.919 20 30 CCEDLO C#CCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000808306740 640859288 /nfs/dbraw/zinc/85/92/88/640859288.db2.gz CQMDZMIDFOPYJN-JTQLQIEISA-N 1 2 253.327 0.141 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015775880 650627410 /nfs/dbraw/zinc/62/74/10/650627410.db2.gz VCJXTKIONSRRDS-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015775880 650627411 /nfs/dbraw/zinc/62/74/11/650627411.db2.gz VCJXTKIONSRRDS-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO N#CCCOCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000815069498 641090119 /nfs/dbraw/zinc/09/01/19/641090119.db2.gz BLOGOSZEMNCHKX-GFCCVEGCSA-N 1 2 272.370 0.568 20 30 CCEDLO N#CCCOCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000815069498 641090123 /nfs/dbraw/zinc/09/01/23/641090123.db2.gz BLOGOSZEMNCHKX-GFCCVEGCSA-N 1 2 272.370 0.568 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015820149 650634696 /nfs/dbraw/zinc/63/46/96/650634696.db2.gz ZQLCUJJFZDILJO-OBJOEFQTSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015820149 650634697 /nfs/dbraw/zinc/63/46/97/650634697.db2.gz ZQLCUJJFZDILJO-OBJOEFQTSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016347817 650720790 /nfs/dbraw/zinc/72/07/90/650720790.db2.gz KPQGWYQHCHTKTI-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016347817 650720801 /nfs/dbraw/zinc/72/08/01/650720801.db2.gz KPQGWYQHCHTKTI-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867215895 642723964 /nfs/dbraw/zinc/72/39/64/642723964.db2.gz WPVTUOXBYCMGEA-LQPUYASZSA-N 1 2 268.357 0.176 20 30 CCEDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)C#CC3CC3)cc2C1 ZINC000837585945 642755354 /nfs/dbraw/zinc/75/53/54/642755354.db2.gz UGYZNMMSVJZHGU-UHFFFAOYSA-N 1 2 297.358 0.882 20 30 CCEDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)C#CC3CC3)cc2C1 ZINC000837585945 642755361 /nfs/dbraw/zinc/75/53/61/642755361.db2.gz UGYZNMMSVJZHGU-UHFFFAOYSA-N 1 2 297.358 0.882 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccn1 ZINC001017354375 650796437 /nfs/dbraw/zinc/79/64/37/650796437.db2.gz JFGMGEGLAARSPU-BETUJISGSA-N 1 2 258.325 0.192 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccn1 ZINC001017354375 650796439 /nfs/dbraw/zinc/79/64/39/650796439.db2.gz JFGMGEGLAARSPU-BETUJISGSA-N 1 2 258.325 0.192 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512447 650808083 /nfs/dbraw/zinc/80/80/83/650808083.db2.gz USKRHDANAHVSMD-TXEJJXNPSA-N 1 2 273.340 0.541 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000843461716 643066827 /nfs/dbraw/zinc/06/68/27/643066827.db2.gz WIUDJTPBVOVZEO-PTRXPTGYSA-N 1 2 259.313 0.057 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001017700450 650818394 /nfs/dbraw/zinc/81/83/94/650818394.db2.gz ZDFDZLFXNIGTDU-RQJABVFESA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001017700450 650818397 /nfs/dbraw/zinc/81/83/97/650818397.db2.gz ZDFDZLFXNIGTDU-RQJABVFESA-N 1 2 289.379 0.210 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CCc3c[nH+]cn3C2)c1N ZINC000844133215 643159950 /nfs/dbraw/zinc/15/99/50/643159950.db2.gz OMVYFSZBKLQEIK-QMMMGPOBSA-N 1 2 256.269 0.436 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC(=O)N1 ZINC001017720889 650819493 /nfs/dbraw/zinc/81/94/93/650819493.db2.gz HYFZCFQNNHZARN-MCIONIFRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC(=O)N1 ZINC001017720889 650819496 /nfs/dbraw/zinc/81/94/96/650819496.db2.gz HYFZCFQNNHZARN-MCIONIFRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC(=O)N1 ZINC001017720890 650819541 /nfs/dbraw/zinc/81/95/41/650819541.db2.gz HYFZCFQNNHZARN-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC(=O)N1 ZINC001017720890 650819544 /nfs/dbraw/zinc/81/95/44/650819544.db2.gz HYFZCFQNNHZARN-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nn1C ZINC001018094239 650842881 /nfs/dbraw/zinc/84/28/81/650842881.db2.gz UQLSHOMQSHRVHF-OKILXGFUSA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nn1C ZINC001018094239 650842882 /nfs/dbraw/zinc/84/28/82/650842882.db2.gz UQLSHOMQSHRVHF-OKILXGFUSA-N 1 2 286.379 0.905 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001018158810 650845971 /nfs/dbraw/zinc/84/59/71/650845971.db2.gz MVMGAHHMNYKUFH-MELADBBJSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001018158810 650845975 /nfs/dbraw/zinc/84/59/75/650845975.db2.gz MVMGAHHMNYKUFH-MELADBBJSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]12CCOC2 ZINC001018157306 650846072 /nfs/dbraw/zinc/84/60/72/650846072.db2.gz OIBAQWPCNKWTGA-HLPPOEQASA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]12CCOC2 ZINC001018157306 650846073 /nfs/dbraw/zinc/84/60/73/650846073.db2.gz OIBAQWPCNKWTGA-HLPPOEQASA-N 1 2 274.364 0.721 20 30 CCEDLO O=S1(=O)CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848418832 643634094 /nfs/dbraw/zinc/63/40/94/643634094.db2.gz VTNORTLCZLPKDA-UHFFFAOYSA-N 1 2 270.358 0.427 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851741157 643876057 /nfs/dbraw/zinc/87/60/57/643876057.db2.gz BCXGJYGMZFKJJX-WFASDCNBSA-N 1 2 275.352 0.841 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851741157 643876058 /nfs/dbraw/zinc/87/60/58/643876058.db2.gz BCXGJYGMZFKJJX-WFASDCNBSA-N 1 2 275.352 0.841 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851809447 643887124 /nfs/dbraw/zinc/88/71/24/643887124.db2.gz PSRSYKBPCUNREX-BXUZGUMPSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851809447 643887127 /nfs/dbraw/zinc/88/71/27/643887127.db2.gz PSRSYKBPCUNREX-BXUZGUMPSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@@]1(C2CC2)C[N@H+](CC(=O)NCCC#N)CCO1 ZINC000852323360 643954084 /nfs/dbraw/zinc/95/40/84/643954084.db2.gz HMIFPFLHHXQKMF-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)NCCC#N)CCO1 ZINC000852323360 643954089 /nfs/dbraw/zinc/95/40/89/643954089.db2.gz HMIFPFLHHXQKMF-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)n1ncc(C#N)c1N ZINC000863860880 645138220 /nfs/dbraw/zinc/13/82/20/645138220.db2.gz QTXJSWGYUSHRMU-RKDXNWHRSA-N 1 2 256.269 0.514 20 30 CCEDLO C[C@H](NC(=O)[C@]1(C#N)CCCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000865178790 645335637 /nfs/dbraw/zinc/33/56/37/645335637.db2.gz FWHVXVYZGIFWGO-YDHLFZDLSA-N 1 2 295.383 0.532 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)N1CC[C@H](NCC#N)C1)c1cccnc1 ZINC001019833154 651009764 /nfs/dbraw/zinc/00/97/64/651009764.db2.gz HOZFSPRGAVSUJZ-UONOGXRCSA-N 1 2 287.367 0.398 20 30 CCEDLO C[C@@H]([NH2+]CCOCCO)c1cccc(C#N)c1O ZINC000866214191 645505664 /nfs/dbraw/zinc/50/56/64/645505664.db2.gz ACXBLJJAIZILNB-SNVBAGLBSA-N 1 2 250.298 0.923 20 30 CCEDLO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cccc(C#N)c1O ZINC000866249773 645511860 /nfs/dbraw/zinc/51/18/60/645511860.db2.gz NPKARGSPUFDWCD-SECBINFHSA-N 1 2 268.338 0.959 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000866546860 645543695 /nfs/dbraw/zinc/54/36/95/645543695.db2.gz YOFKCSNHSWHFAY-DZGCQCFKSA-N 1 2 293.367 0.240 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000876522214 646618696 /nfs/dbraw/zinc/61/86/96/646618696.db2.gz LABHBTZCWFHJHF-JTQLQIEISA-N 1 2 285.756 0.883 20 30 CCEDLO C=C[C@@](C)(O)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000881288589 647296208 /nfs/dbraw/zinc/29/62/08/647296208.db2.gz NGGLWASMOSSODQ-GFCCVEGCSA-N 1 2 252.318 0.004 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232189 647925748 /nfs/dbraw/zinc/92/57/48/647925748.db2.gz RRBPEXSVJSDWSI-WDEREUQCSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232189 647925760 /nfs/dbraw/zinc/92/57/60/647925760.db2.gz RRBPEXSVJSDWSI-WDEREUQCSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232186 647927209 /nfs/dbraw/zinc/92/72/09/647927209.db2.gz RRBPEXSVJSDWSI-GHMZBOCLSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232186 647927213 /nfs/dbraw/zinc/92/72/13/647927213.db2.gz RRBPEXSVJSDWSI-GHMZBOCLSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930487701 648867176 /nfs/dbraw/zinc/86/71/76/648867176.db2.gz CXRBNTMYLKLABJ-MCIONIFRSA-N 1 2 295.383 0.484 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC000930632182 648884312 /nfs/dbraw/zinc/88/43/12/648884312.db2.gz YADZNBXECPQLLW-UHFFFAOYSA-N 1 2 264.354 0.743 20 30 CCEDLO N#Cc1cncc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000930679677 648890058 /nfs/dbraw/zinc/89/00/58/648890058.db2.gz IRCKFBWEWJIHGQ-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000930679677 648890060 /nfs/dbraw/zinc/89/00/60/648890060.db2.gz IRCKFBWEWJIHGQ-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000932157631 649053921 /nfs/dbraw/zinc/05/39/21/649053921.db2.gz MQPYEJGBRPUIDU-STQMWFEESA-N 1 2 268.357 0.778 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000932157631 649053923 /nfs/dbraw/zinc/05/39/23/649053923.db2.gz MQPYEJGBRPUIDU-STQMWFEESA-N 1 2 268.357 0.778 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H]2CO)CCCCC1 ZINC000934027933 649154098 /nfs/dbraw/zinc/15/40/98/649154098.db2.gz WAJCZHNKUCVGBO-LLVKDONJSA-N 1 2 251.330 0.396 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]2CO)CCCCC1 ZINC000934027933 649154100 /nfs/dbraw/zinc/15/41/00/649154100.db2.gz WAJCZHNKUCVGBO-LLVKDONJSA-N 1 2 251.330 0.396 20 30 CCEDLO N#CCN1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000949274855 649416949 /nfs/dbraw/zinc/41/69/49/649416949.db2.gz WKWPLPBGMGSCBX-UHFFFAOYSA-N 1 2 269.308 0.616 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248609340 649734843 /nfs/dbraw/zinc/73/48/43/649734843.db2.gz WQHONBITYRIBQZ-TUAOUCFPSA-N 1 2 253.346 0.417 20 30 CCEDLO COc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc(C)[nH]c1=O ZINC001230018672 805575514 /nfs/dbraw/zinc/57/55/14/805575514.db2.gz BRLSCLZYZLSTRZ-HBKXCPMBSA-N 1 2 293.323 0.490 20 30 CCEDLO COc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc(C)[nH]c1=O ZINC001230018672 805575521 /nfs/dbraw/zinc/57/55/21/805575521.db2.gz BRLSCLZYZLSTRZ-HBKXCPMBSA-N 1 2 293.323 0.490 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526763 805610894 /nfs/dbraw/zinc/61/08/94/805610894.db2.gz HAJGJMXOBDDYFE-PWSUYJOCSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526763 805610897 /nfs/dbraw/zinc/61/08/97/805610897.db2.gz HAJGJMXOBDDYFE-PWSUYJOCSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230533269 805611978 /nfs/dbraw/zinc/61/19/78/805611978.db2.gz WRVFPSQIXDFFMO-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230533269 805611984 /nfs/dbraw/zinc/61/19/84/805611984.db2.gz WRVFPSQIXDFFMO-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230555989 805622050 /nfs/dbraw/zinc/62/20/50/805622050.db2.gz ARHLSXAIDYXLDP-WCQYABFASA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230555989 805622056 /nfs/dbraw/zinc/62/20/56/805622056.db2.gz ARHLSXAIDYXLDP-WCQYABFASA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613345 805633505 /nfs/dbraw/zinc/63/35/05/805633505.db2.gz BGAHVYMTFPVOKB-RYUDHWBXSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613345 805633506 /nfs/dbraw/zinc/63/35/06/805633506.db2.gz BGAHVYMTFPVOKB-RYUDHWBXSA-N 1 2 299.390 0.958 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000088476563 790359360 /nfs/dbraw/zinc/35/93/60/790359360.db2.gz CVEPGHMATVDNJT-SNVBAGLBSA-N 1 2 259.375 0.644 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)c(C)o1 ZINC001266267544 790361862 /nfs/dbraw/zinc/36/18/62/790361862.db2.gz HKNHBWJFDXYRNQ-UHFFFAOYSA-N 1 2 293.367 0.860 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)c(C)o1 ZINC001266267544 790361876 /nfs/dbraw/zinc/36/18/76/790361876.db2.gz HKNHBWJFDXYRNQ-UHFFFAOYSA-N 1 2 293.367 0.860 20 30 CCEDLO Cc1nocc1C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273453 790376441 /nfs/dbraw/zinc/37/64/41/790376441.db2.gz RTWJIUXYUODJRS-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO Cc1nocc1C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273453 790376452 /nfs/dbraw/zinc/37/64/52/790376452.db2.gz RTWJIUXYUODJRS-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO C#CCC[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001266277085 790384142 /nfs/dbraw/zinc/38/41/42/790384142.db2.gz NGCVDAFIUIMBBT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001266277085 790384153 /nfs/dbraw/zinc/38/41/53/790384153.db2.gz NGCVDAFIUIMBBT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001266277085 790384168 /nfs/dbraw/zinc/38/41/68/790384168.db2.gz NGCVDAFIUIMBBT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001266277085 790384181 /nfs/dbraw/zinc/38/41/81/790384181.db2.gz NGCVDAFIUIMBBT-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001039024038 790399344 /nfs/dbraw/zinc/39/93/44/790399344.db2.gz PEVXMCDYNJYBRE-ZDUSSCGKSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001039024038 790399355 /nfs/dbraw/zinc/39/93/55/790399355.db2.gz PEVXMCDYNJYBRE-ZDUSSCGKSA-N 1 2 286.335 0.008 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001266287689 790414883 /nfs/dbraw/zinc/41/48/83/790414883.db2.gz BPCARUCIQFCQDT-SOUVJXGZSA-N 1 2 290.411 0.680 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001266302214 790467681 /nfs/dbraw/zinc/46/76/81/790467681.db2.gz LGLZVPPTIJTFRH-GFCCVEGCSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001266302214 790467689 /nfs/dbraw/zinc/46/76/89/790467689.db2.gz LGLZVPPTIJTFRH-GFCCVEGCSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001039081127 790579991 /nfs/dbraw/zinc/57/99/91/790579991.db2.gz FVXJRESPWVUZBA-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001039081127 790579995 /nfs/dbraw/zinc/57/99/95/790579995.db2.gz FVXJRESPWVUZBA-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nn[nH]n4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231075362 805724078 /nfs/dbraw/zinc/72/40/78/805724078.db2.gz AHBLEIKLPRQSLT-KLLCGCCRSA-N 1 2 299.334 0.858 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nn[nH]n4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231075362 805724081 /nfs/dbraw/zinc/72/40/81/805724081.db2.gz AHBLEIKLPRQSLT-KLLCGCCRSA-N 1 2 299.334 0.858 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001231171231 805742540 /nfs/dbraw/zinc/74/25/40/805742540.db2.gz ZVCXCBHNLNUACM-GFCCVEGCSA-N 1 2 277.324 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001231171231 805742547 /nfs/dbraw/zinc/74/25/47/805742547.db2.gz ZVCXCBHNLNUACM-GFCCVEGCSA-N 1 2 277.324 0.471 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CCN1Cc1c[nH+]cn1C ZINC001231225970 805756068 /nfs/dbraw/zinc/75/60/68/805756068.db2.gz LDIMACSJPISGCA-CYBMUJFWSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncn1C ZINC001231225970 805756073 /nfs/dbraw/zinc/75/60/73/805756073.db2.gz LDIMACSJPISGCA-CYBMUJFWSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncn1C ZINC001231225970 805756079 /nfs/dbraw/zinc/75/60/79/805756079.db2.gz LDIMACSJPISGCA-CYBMUJFWSA-N 1 2 292.383 0.655 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nc3ccccn3n2)CC1 ZINC001233073375 806017348 /nfs/dbraw/zinc/01/73/48/806017348.db2.gz UZPPMGDVFZZERL-UHFFFAOYSA-N 1 2 255.325 0.480 20 30 CCEDLO N#CCNCC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528920 791511064 /nfs/dbraw/zinc/51/10/64/791511064.db2.gz REKNFLALANUNJH-UHFFFAOYSA-N 1 2 261.329 0.352 20 30 CCEDLO Cc1nccnc1C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267189656 791645565 /nfs/dbraw/zinc/64/55/65/791645565.db2.gz ZQZWOCASZYVMKR-JTQLQIEISA-N 1 2 261.329 0.493 20 30 CCEDLO Cc1nccnc1C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267189656 791645572 /nfs/dbraw/zinc/64/55/72/791645572.db2.gz ZQZWOCASZYVMKR-JTQLQIEISA-N 1 2 261.329 0.493 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601671 806089469 /nfs/dbraw/zinc/08/94/69/806089469.db2.gz WWCARLYIVFHMDU-AWEZNQCLSA-N 1 2 291.395 0.932 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601671 806089477 /nfs/dbraw/zinc/08/94/77/806089477.db2.gz WWCARLYIVFHMDU-AWEZNQCLSA-N 1 2 291.395 0.932 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001233965913 806159522 /nfs/dbraw/zinc/15/95/22/806159522.db2.gz GNVNGOGERUCPNW-CQSZACIVSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001233965913 806159529 /nfs/dbraw/zinc/15/95/29/806159529.db2.gz GNVNGOGERUCPNW-CQSZACIVSA-N 1 2 291.395 0.601 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012610 806168442 /nfs/dbraw/zinc/16/84/42/806168442.db2.gz POQIBUYRQOKVHY-LLVKDONJSA-N 1 2 261.329 0.399 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(F)nc4nc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234689917 806298306 /nfs/dbraw/zinc/29/83/06/806298306.db2.gz KAXDXYZWZSDTJC-WQDSJKFHSA-N 1 2 291.286 0.483 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(F)nc4nc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234689917 806298311 /nfs/dbraw/zinc/29/83/11/806298311.db2.gz KAXDXYZWZSDTJC-WQDSJKFHSA-N 1 2 291.286 0.483 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(F)nc4[nH]cnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234689917 806298314 /nfs/dbraw/zinc/29/83/14/806298314.db2.gz KAXDXYZWZSDTJC-WQDSJKFHSA-N 1 2 291.286 0.483 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(F)nc4[nH]cnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234689917 806298318 /nfs/dbraw/zinc/29/83/18/806298318.db2.gz KAXDXYZWZSDTJC-WQDSJKFHSA-N 1 2 291.286 0.483 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+]Cc1nc(C)oc1C ZINC001278054877 806640836 /nfs/dbraw/zinc/64/08/36/806640836.db2.gz XOOZBBSDWJLNAW-GFCCVEGCSA-N 1 2 281.356 0.824 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001278076931 806652509 /nfs/dbraw/zinc/65/25/09/806652509.db2.gz CNIBZLXQKBBARS-NSHDSACASA-N 1 2 279.365 0.123 20 30 CCEDLO Cc1conc1C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278078573 806654170 /nfs/dbraw/zinc/65/41/70/806654170.db2.gz XNAXWCASKVRENC-LBPRGKRZSA-N 1 2 279.340 0.209 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462125 806671292 /nfs/dbraw/zinc/67/12/92/806671292.db2.gz GQECKINCFCEWBR-CYBMUJFWSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462125 806671295 /nfs/dbraw/zinc/67/12/95/806671295.db2.gz GQECKINCFCEWBR-CYBMUJFWSA-N 1 2 288.351 0.680 20 30 CCEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)cn2c1 ZINC001237608190 806699557 /nfs/dbraw/zinc/69/95/57/806699557.db2.gz FDHGTVVPARUYAD-TZMCWYRMSA-N 1 2 286.335 0.381 20 30 CCEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cn2c1 ZINC001237608190 806699558 /nfs/dbraw/zinc/69/95/58/806699558.db2.gz FDHGTVVPARUYAD-TZMCWYRMSA-N 1 2 286.335 0.381 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)C1CC1 ZINC001121609659 799059804 /nfs/dbraw/zinc/05/98/04/799059804.db2.gz MJEDDFHHNWNLKZ-VXGBXAGGSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)C1CC1 ZINC001121609659 799059811 /nfs/dbraw/zinc/05/98/11/799059811.db2.gz MJEDDFHHNWNLKZ-VXGBXAGGSA-N 1 2 277.372 0.800 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC)CC1 ZINC001121757499 799068049 /nfs/dbraw/zinc/06/80/49/799068049.db2.gz QBVNPORRYJNJMX-UHFFFAOYSA-N 1 2 297.366 0.510 20 30 CCEDLO C=CCOC(=O)c1ccccc1NS(=O)(=O)CC[NH3+] ZINC001237718290 806713433 /nfs/dbraw/zinc/71/34/33/806713433.db2.gz JYDCDLGGKXGGCY-UHFFFAOYSA-N 1 2 284.337 0.730 20 30 CCEDLO C=CCC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CCC1 ZINC001278148705 806719960 /nfs/dbraw/zinc/71/99/60/806719960.db2.gz ZGFYTWIELOXJLH-CYBMUJFWSA-N 1 2 293.367 0.988 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001122442795 799236829 /nfs/dbraw/zinc/23/68/29/799236829.db2.gz AEONUARMRDBHFJ-CYBMUJFWSA-N 1 2 291.399 0.978 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124907871 799645659 /nfs/dbraw/zinc/64/56/59/799645659.db2.gz BDTXWNQMHKHWCQ-SFYZADRCSA-N 1 2 251.290 0.305 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[nH]nc(C)c1C ZINC001125045341 799653862 /nfs/dbraw/zinc/65/38/62/799653862.db2.gz SQZGMEAKWCDEGU-LLVKDONJSA-N 1 2 293.371 0.037 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(C#N)c1 ZINC001137699311 799683013 /nfs/dbraw/zinc/68/30/13/799683013.db2.gz DDYWMKGJZASPQO-DZGCQCFKSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(C#N)c1 ZINC001137699311 799683019 /nfs/dbraw/zinc/68/30/19/799683019.db2.gz DDYWMKGJZASPQO-DZGCQCFKSA-N 1 2 276.336 0.742 20 30 CCEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@@H](C(N)=O)C3)c2c1 ZINC001140115409 799881818 /nfs/dbraw/zinc/88/18/18/799881818.db2.gz ZQOZUKZNMXLMKA-CQSZACIVSA-N 1 2 284.319 0.726 20 30 CCEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@@H](C(N)=O)C3)c2c1 ZINC001140115409 799881825 /nfs/dbraw/zinc/88/18/25/799881825.db2.gz ZQOZUKZNMXLMKA-CQSZACIVSA-N 1 2 284.319 0.726 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001154520672 800792859 /nfs/dbraw/zinc/79/28/59/800792859.db2.gz ZQJGNCJGORORQS-JTQLQIEISA-N 1 2 255.281 0.272 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNC(=O)Nc1cccc(C#N)c1 ZINC001239243926 806871876 /nfs/dbraw/zinc/87/18/76/806871876.db2.gz RNSSADUAEVXAMN-LLVKDONJSA-N 1 2 276.296 0.570 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001156327504 801151166 /nfs/dbraw/zinc/15/11/66/801151166.db2.gz BXVBWGDACMEFIK-LBPRGKRZSA-N 1 2 299.334 0.032 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH2+]C3(CC3)C2)c1O ZINC001161556368 802180591 /nfs/dbraw/zinc/18/05/91/802180591.db2.gz NNUXLXGJMXAMOD-UHFFFAOYSA-N 1 2 257.293 0.842 20 30 CCEDLO CC[C@H](CC#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001255172709 808325909 /nfs/dbraw/zinc/32/59/09/808325909.db2.gz RNJLLPPBNRHHQS-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO C=CCS(=O)(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001259935581 808810167 /nfs/dbraw/zinc/81/01/67/808810167.db2.gz JCTOJWWIMSAIOA-UHFFFAOYSA-N 1 2 253.327 0.376 20 30 CCEDLO C#CCCCCCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163969800 802643056 /nfs/dbraw/zinc/64/30/56/802643056.db2.gz SHVVREOZWIZJSE-UHFFFAOYSA-N 1 2 292.387 0.390 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496602 802749297 /nfs/dbraw/zinc/74/92/97/802749297.db2.gz ZJSSJTDZKROIBW-CQSZACIVSA-N 1 2 294.399 0.249 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164496602 802749304 /nfs/dbraw/zinc/74/93/04/802749304.db2.gz ZJSSJTDZKROIBW-CQSZACIVSA-N 1 2 294.399 0.249 20 30 CCEDLO Cc1nc(C#N)cc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164502430 802750857 /nfs/dbraw/zinc/75/08/57/802750857.db2.gz UEMKXXIJYGOMPE-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO CCOC(=O)c1cc(N2CC[NH2+]C[C@H]2C#N)ncc1C ZINC001164651927 802775648 /nfs/dbraw/zinc/77/56/48/802775648.db2.gz MYGMABGCLJKEDD-LLVKDONJSA-N 1 2 274.324 0.869 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(Cl)cc(C(N)=O)n2)CC1 ZINC001165031346 802778747 /nfs/dbraw/zinc/77/87/47/802778747.db2.gz FFIGSKQCEHFFHJ-UHFFFAOYSA-N 1 2 281.747 0.537 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(C)(F)F)C1 ZINC001278349804 807007028 /nfs/dbraw/zinc/00/70/28/807007028.db2.gz LPGASIXKIDKOQU-LBPRGKRZSA-N 1 2 289.326 0.524 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(C)(F)F)C1 ZINC001278349804 807007033 /nfs/dbraw/zinc/00/70/33/807007033.db2.gz LPGASIXKIDKOQU-LBPRGKRZSA-N 1 2 289.326 0.524 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001075616534 812421042 /nfs/dbraw/zinc/42/10/42/812421042.db2.gz WHEOGXFYQMLUGS-GMXVVIOVSA-N 1 2 274.324 0.867 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001075616534 812421052 /nfs/dbraw/zinc/42/10/52/812421052.db2.gz WHEOGXFYQMLUGS-GMXVVIOVSA-N 1 2 274.324 0.867 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1C#N ZINC001207104793 803353897 /nfs/dbraw/zinc/35/38/97/803353897.db2.gz YRFWHQZEOPHBMA-KCPJHIHWSA-N 1 2 275.352 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1C#N ZINC001207104793 803353905 /nfs/dbraw/zinc/35/39/05/803353905.db2.gz YRFWHQZEOPHBMA-KCPJHIHWSA-N 1 2 275.352 0.868 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001207720033 803440829 /nfs/dbraw/zinc/44/08/29/803440829.db2.gz GHVYNMVBDKULCY-GRYCIOLGSA-N 1 2 288.413 0.432 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001207720033 803440832 /nfs/dbraw/zinc/44/08/32/803440832.db2.gz GHVYNMVBDKULCY-GRYCIOLGSA-N 1 2 288.413 0.432 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)O1 ZINC001209279847 803587371 /nfs/dbraw/zinc/58/73/71/803587371.db2.gz FALCUZIVJRDITF-GFQSEFKGSA-N 1 2 284.356 0.095 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@](C)(C#N)C2)O1 ZINC001209279847 803587374 /nfs/dbraw/zinc/58/73/74/803587374.db2.gz FALCUZIVJRDITF-GFQSEFKGSA-N 1 2 284.356 0.095 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(OC)c(OC)c2)CC1 ZINC001209620731 803618350 /nfs/dbraw/zinc/61/83/50/803618350.db2.gz NPXWOOUUIJXYOC-UHFFFAOYSA-N 1 2 275.352 0.850 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@]1(C)C=CCC1 ZINC001272086528 814956165 /nfs/dbraw/zinc/95/61/65/814956165.db2.gz BJRGSXUWMJTPCN-OAHLLOKOSA-N 1 2 292.383 0.373 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@]1(C)C=CCC1 ZINC001272086528 814956167 /nfs/dbraw/zinc/95/61/67/814956167.db2.gz BJRGSXUWMJTPCN-OAHLLOKOSA-N 1 2 292.383 0.373 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001276771981 803932138 /nfs/dbraw/zinc/93/21/38/803932138.db2.gz LONMJOVOWAURCF-YPMHNXCESA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC1 ZINC001276771981 803932142 /nfs/dbraw/zinc/93/21/42/803932142.db2.gz LONMJOVOWAURCF-YPMHNXCESA-N 1 2 277.368 0.115 20 30 CCEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001218455632 803959768 /nfs/dbraw/zinc/95/97/68/803959768.db2.gz OLSNJEJBWXILFS-RKDXNWHRSA-N 1 2 251.286 0.963 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212044824 814984628 /nfs/dbraw/zinc/98/46/28/814984628.db2.gz BHHZNAWLVMQXDL-PNRLHAQJSA-N 1 2 271.748 0.714 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212044824 814984631 /nfs/dbraw/zinc/98/46/31/814984631.db2.gz BHHZNAWLVMQXDL-PNRLHAQJSA-N 1 2 271.748 0.714 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212044827 814984997 /nfs/dbraw/zinc/98/49/97/814984997.db2.gz BHHZNAWLVMQXDL-XSNSVMTNSA-N 1 2 271.748 0.714 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212044827 814985002 /nfs/dbraw/zinc/98/50/02/814985002.db2.gz BHHZNAWLVMQXDL-XSNSVMTNSA-N 1 2 271.748 0.714 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C#N)cnc1C ZINC001218658796 804068304 /nfs/dbraw/zinc/06/83/04/804068304.db2.gz IJELSARUTALLBQ-VIFPVBQESA-N 1 2 262.269 0.091 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)COC1CCCC1 ZINC001276793740 804115988 /nfs/dbraw/zinc/11/59/88/804115988.db2.gz VOEKQUQLXJPYMG-CQSZACIVSA-N 1 2 294.395 0.786 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)COC1CCCC1 ZINC001276793740 804115996 /nfs/dbraw/zinc/11/59/96/804115996.db2.gz VOEKQUQLXJPYMG-CQSZACIVSA-N 1 2 294.395 0.786 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219190877 804231334 /nfs/dbraw/zinc/23/13/34/804231334.db2.gz DKZQNOZGHWOETD-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219190877 804231341 /nfs/dbraw/zinc/23/13/41/804231341.db2.gz DKZQNOZGHWOETD-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219334836 804275731 /nfs/dbraw/zinc/27/57/31/804275731.db2.gz ISURQMUVEKGIND-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219334836 804275738 /nfs/dbraw/zinc/27/57/38/804275738.db2.gz ISURQMUVEKGIND-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219878055 804437892 /nfs/dbraw/zinc/43/78/92/804437892.db2.gz YFHPCTNZDNBHLT-UTUOFQBUSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219878055 804437895 /nfs/dbraw/zinc/43/78/95/804437895.db2.gz YFHPCTNZDNBHLT-UTUOFQBUSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220492902 804614844 /nfs/dbraw/zinc/61/48/44/804614844.db2.gz CFRIWYQGIGEOTN-UPJWGTAASA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220492902 804614847 /nfs/dbraw/zinc/61/48/47/804614847.db2.gz CFRIWYQGIGEOTN-UPJWGTAASA-N 1 2 266.385 0.853 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220596271 804635036 /nfs/dbraw/zinc/63/50/36/804635036.db2.gz QHGYBLZIIPEOTH-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220596271 804635037 /nfs/dbraw/zinc/63/50/37/804635037.db2.gz QHGYBLZIIPEOTH-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221839441 804848874 /nfs/dbraw/zinc/84/88/74/804848874.db2.gz RZNRTQKLUTXSPU-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221839441 804848877 /nfs/dbraw/zinc/84/88/77/804848877.db2.gz RZNRTQKLUTXSPU-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)[C@@H](C)C#N)CC2)[nH]1 ZINC001222659431 804924119 /nfs/dbraw/zinc/92/41/19/804924119.db2.gz XPGNAXXCVSINDM-JTQLQIEISA-N 1 2 290.371 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc(OCC)n1 ZINC001276892660 804973216 /nfs/dbraw/zinc/97/32/16/804973216.db2.gz SLUAJDXMBGKYAX-CQSZACIVSA-N 1 2 287.363 0.847 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc(OCC)n1 ZINC001276892660 804973222 /nfs/dbraw/zinc/97/32/22/804973222.db2.gz SLUAJDXMBGKYAX-CQSZACIVSA-N 1 2 287.363 0.847 20 30 CCEDLO C#CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001276979931 805049672 /nfs/dbraw/zinc/04/96/72/805049672.db2.gz OJWWVVSYUDNMCU-OCCSQVGLSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001276979931 805049681 /nfs/dbraw/zinc/04/96/81/805049681.db2.gz OJWWVVSYUDNMCU-OCCSQVGLSA-N 1 2 298.408 0.025 20 30 CCEDLO Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226617534 805256077 /nfs/dbraw/zinc/25/60/77/805256077.db2.gz IPICYSPZJLJWCJ-VIFPVBQESA-N 1 2 277.328 0.618 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001226624587 805256652 /nfs/dbraw/zinc/25/66/52/805256652.db2.gz ADRGAKLICPZLTO-SNVBAGLBSA-N 1 2 262.313 0.915 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH+]cn1C ZINC000989735419 815092182 /nfs/dbraw/zinc/09/21/82/815092182.db2.gz AFNQXYPVVRARJN-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](NC(=NO)c2ccc(C)cn2)C[NH2+]1 ZINC001246256749 807199586 /nfs/dbraw/zinc/19/95/86/807199586.db2.gz PBPCDXMYSOLEMF-ONGXEEELSA-N 1 2 278.312 0.019 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246774807 807374404 /nfs/dbraw/zinc/37/44/04/807374404.db2.gz GVEKSAUACFLIBK-STQMWFEESA-N 1 2 267.373 0.084 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800556 807387902 /nfs/dbraw/zinc/38/79/02/807387902.db2.gz FIDZJAATJCFOJZ-RYUDHWBXSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1ccc(-c2noc([C@H](CO)n3cc[nH+]c3)n2)nc1 ZINC001247262520 807458069 /nfs/dbraw/zinc/45/80/69/807458069.db2.gz NUSSJJYOXYWUOZ-NSHDSACASA-N 1 2 282.263 0.781 20 30 CCEDLO N#Cc1ccsc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251003778 807636093 /nfs/dbraw/zinc/63/60/93/807636093.db2.gz OXCMAVDZNHIVPU-NSHDSACASA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1cc(F)c(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251028702 807647645 /nfs/dbraw/zinc/64/76/45/807647645.db2.gz MXVRIZLJKDPRKV-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001251820888 807708310 /nfs/dbraw/zinc/70/83/10/807708310.db2.gz AUBVMVWVBMFTKE-ZDUSSCGKSA-N 1 2 298.383 0.548 20 30 CCEDLO C=CCOC[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001252454778 807870736 /nfs/dbraw/zinc/87/07/36/807870736.db2.gz UCVJIFPXNKXBDE-GFCCVEGCSA-N 1 2 294.355 0.289 20 30 CCEDLO C=CCOC[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001252454778 807870742 /nfs/dbraw/zinc/87/07/42/807870742.db2.gz UCVJIFPXNKXBDE-GFCCVEGCSA-N 1 2 294.355 0.289 20 30 CCEDLO C=C[C@](C)(O)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC001252579919 807914261 /nfs/dbraw/zinc/91/42/61/807914261.db2.gz ZKBUXUXCJKITEK-OCCSQVGLSA-N 1 2 271.357 0.871 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253570819 808081528 /nfs/dbraw/zinc/08/15/28/808081528.db2.gz BLJUYRLRNVTSOF-YNEHKIRRSA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253570819 808081537 /nfs/dbraw/zinc/08/15/37/808081537.db2.gz BLJUYRLRNVTSOF-YNEHKIRRSA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253576055 808082820 /nfs/dbraw/zinc/08/28/20/808082820.db2.gz JJSQEVPLQRFNFE-WDEREUQCSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253576055 808082827 /nfs/dbraw/zinc/08/28/27/808082827.db2.gz JJSQEVPLQRFNFE-WDEREUQCSA-N 1 2 266.345 0.391 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nncs1 ZINC001126881039 815179335 /nfs/dbraw/zinc/17/93/35/815179335.db2.gz JWBISKNPNCPNRW-UHFFFAOYSA-N 1 2 250.327 0.157 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001253749081 808131972 /nfs/dbraw/zinc/13/19/72/808131972.db2.gz DUQJYEMLKXPKIW-UHFFFAOYSA-N 1 2 264.329 0.547 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001253749081 808131975 /nfs/dbraw/zinc/13/19/75/808131975.db2.gz DUQJYEMLKXPKIW-UHFFFAOYSA-N 1 2 264.329 0.547 20 30 CCEDLO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278761896 808181349 /nfs/dbraw/zinc/18/13/49/808181349.db2.gz KFPMBPGIOVMDFQ-RKDXNWHRSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278761896 808181351 /nfs/dbraw/zinc/18/13/51/808181351.db2.gz KFPMBPGIOVMDFQ-RKDXNWHRSA-N 1 2 284.253 0.319 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C#N)C2)cn1 ZINC001254655138 808269982 /nfs/dbraw/zinc/26/99/82/808269982.db2.gz YZUJYGZXLGFQMM-ADEWGFFLSA-N 1 2 262.313 0.791 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CCOCC2)C1 ZINC001278833733 808307607 /nfs/dbraw/zinc/30/76/07/808307607.db2.gz TXHNUMAGRMDCOV-UHFFFAOYSA-N 1 2 268.357 0.152 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001126893564 815198063 /nfs/dbraw/zinc/19/80/63/815198063.db2.gz SIGCOOXWALFFOR-UHFFFAOYSA-N 1 2 260.341 0.732 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001278877583 808417616 /nfs/dbraw/zinc/41/76/16/808417616.db2.gz OQIFYCHKNNIKCE-LBPRGKRZSA-N 1 2 264.369 0.609 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001262228434 809253327 /nfs/dbraw/zinc/25/33/27/809253327.db2.gz DPIPXTROSWSESE-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC(C)C)[C@@H](O)C1 ZINC001263742720 809559891 /nfs/dbraw/zinc/55/98/91/809559891.db2.gz PMTBUHXHYKHIAS-MCIONIFRSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(C)C)[C@@H](O)C1 ZINC001263742720 809559897 /nfs/dbraw/zinc/55/98/97/809559897.db2.gz PMTBUHXHYKHIAS-MCIONIFRSA-N 1 2 266.385 0.853 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCc1c[nH+]cn1C ZINC001263818962 809578805 /nfs/dbraw/zinc/57/88/05/809578805.db2.gz KJTNYAAASFXVPA-CYBMUJFWSA-N 1 2 275.356 0.409 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC001263820908 809578921 /nfs/dbraw/zinc/57/89/21/809578921.db2.gz JLKVSPDCZNGDAY-NSHDSACASA-N 1 2 290.323 0.087 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC001263820908 809578925 /nfs/dbraw/zinc/57/89/25/809578925.db2.gz JLKVSPDCZNGDAY-NSHDSACASA-N 1 2 290.323 0.087 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264180336 809635966 /nfs/dbraw/zinc/63/59/66/809635966.db2.gz AIMYFLDOQGDEIP-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264180336 809635971 /nfs/dbraw/zinc/63/59/71/809635971.db2.gz AIMYFLDOQGDEIP-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CCN1CC#N ZINC001264375184 809646930 /nfs/dbraw/zinc/64/69/30/809646930.db2.gz VYFOIMBZTRFOPQ-WCQYABFASA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H]1CCN1CC#N ZINC001264375184 809646933 /nfs/dbraw/zinc/64/69/33/809646933.db2.gz VYFOIMBZTRFOPQ-WCQYABFASA-N 1 2 275.356 0.645 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001265271048 809737762 /nfs/dbraw/zinc/73/77/62/809737762.db2.gz QMWUFVZERANRRA-NEPJUHHUSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001265271048 809737766 /nfs/dbraw/zinc/73/77/66/809737766.db2.gz QMWUFVZERANRRA-NEPJUHHUSA-N 1 2 267.373 0.525 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)CSCC#N)o1 ZINC001265754341 809840646 /nfs/dbraw/zinc/84/06/46/809840646.db2.gz CFRQDUDHRZCTQC-IUCAKERBSA-N 1 2 297.384 0.790 20 30 CCEDLO CCn1cc(C[N@H+](C)CCCNC(=O)C#CC2CC2)nn1 ZINC001265842718 809872346 /nfs/dbraw/zinc/87/23/46/809872346.db2.gz HHHPDPCHSFZZOX-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO CCn1cc(C[N@@H+](C)CCCNC(=O)C#CC2CC2)nn1 ZINC001265842718 809872350 /nfs/dbraw/zinc/87/23/50/809872350.db2.gz HHHPDPCHSFZZOX-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO Cn1cnnc1C[N@H+](C)CCCNC(=O)C#CC1CC1 ZINC001265843289 809872383 /nfs/dbraw/zinc/87/23/83/809872383.db2.gz YIQSCRRJGNFNRX-UHFFFAOYSA-N 1 2 275.356 0.167 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)C#CC1CC1 ZINC001265843289 809872386 /nfs/dbraw/zinc/87/23/86/809872386.db2.gz YIQSCRRJGNFNRX-UHFFFAOYSA-N 1 2 275.356 0.167 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001266212629 809963667 /nfs/dbraw/zinc/96/36/67/809963667.db2.gz OMDJTXXVYQXPGS-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001266212629 809963670 /nfs/dbraw/zinc/96/36/70/809963670.db2.gz OMDJTXXVYQXPGS-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO C=CC[N@H+]1CCC[C@](CO)(NC(=O)c2cncs2)C1 ZINC001279463148 809980876 /nfs/dbraw/zinc/98/08/76/809980876.db2.gz WLWDNIPQRYMGJS-ZDUSSCGKSA-N 1 2 281.381 0.886 20 30 CCEDLO C=CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cncs2)C1 ZINC001279463148 809980878 /nfs/dbraw/zinc/98/08/78/809980878.db2.gz WLWDNIPQRYMGJS-ZDUSSCGKSA-N 1 2 281.381 0.886 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001076690626 815347244 /nfs/dbraw/zinc/34/72/44/815347244.db2.gz MUKQYEICMBDOCW-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001076690626 815347250 /nfs/dbraw/zinc/34/72/50/815347250.db2.gz MUKQYEICMBDOCW-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1nccn1C ZINC001267264517 811066109 /nfs/dbraw/zinc/06/61/09/811066109.db2.gz SQUBKCMECJFDFA-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC001267264517 811066118 /nfs/dbraw/zinc/06/61/18/811066118.db2.gz SQUBKCMECJFDFA-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001076952671 815422540 /nfs/dbraw/zinc/42/25/40/815422540.db2.gz RXXWZPJCNKCNSR-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001076952671 815422543 /nfs/dbraw/zinc/42/25/43/815422543.db2.gz RXXWZPJCNKCNSR-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO C#CCCCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267367448 811225040 /nfs/dbraw/zinc/22/50/40/811225040.db2.gz WMKDNPCQAMKCBK-UHFFFAOYSA-N 1 2 250.302 0.421 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001077020811 815432862 /nfs/dbraw/zinc/43/28/62/815432862.db2.gz ZMHGBVWPKLPKIQ-YJNKXOJESA-N 1 2 294.395 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001077020811 815432868 /nfs/dbraw/zinc/43/28/68/815432868.db2.gz ZMHGBVWPKLPKIQ-YJNKXOJESA-N 1 2 294.395 0.232 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776296 811319722 /nfs/dbraw/zinc/31/97/22/811319722.db2.gz KVLATLXPCVRSJN-UHFFFAOYSA-N 1 2 287.323 0.956 20 30 CCEDLO N#Cc1cccnc1N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562166 811321013 /nfs/dbraw/zinc/32/10/13/811321013.db2.gz DRIZKQYSLBCFPB-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001058562590 811321392 /nfs/dbraw/zinc/32/13/92/811321392.db2.gz NSEWCWGATWKDHR-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(CC#N)C1 ZINC001267549762 811431926 /nfs/dbraw/zinc/43/19/26/811431926.db2.gz INHXLRIJPWPGLP-CYBMUJFWSA-N 1 2 275.356 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)nc3)[C@H]2C1 ZINC001083275958 811460412 /nfs/dbraw/zinc/46/04/12/811460412.db2.gz FYNDKDPDSUYXPF-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)nc3)[C@H]2C1 ZINC001083275958 811460419 /nfs/dbraw/zinc/46/04/19/811460419.db2.gz FYNDKDPDSUYXPF-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C=CCCOCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267578221 811474396 /nfs/dbraw/zinc/47/43/96/811474396.db2.gz XBMDLZBAJUWIKV-UHFFFAOYSA-N 1 2 294.399 0.179 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602358 811527323 /nfs/dbraw/zinc/52/73/23/811527323.db2.gz FAMUIWUGPSEQEP-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCCC(=O)N(C)C)C1 ZINC001267666433 811631452 /nfs/dbraw/zinc/63/14/52/811631452.db2.gz GCOQTSIEMDCQQX-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001038340640 811652874 /nfs/dbraw/zinc/65/28/74/811652874.db2.gz RLYJOEDGUBHIKV-TZMCWYRMSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001038340640 811652877 /nfs/dbraw/zinc/65/28/77/811652877.db2.gz RLYJOEDGUBHIKV-TZMCWYRMSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001267711537 811673265 /nfs/dbraw/zinc/67/32/65/811673265.db2.gz ZVZFEMVIDBMBNT-AVGNSLFASA-N 1 2 295.358 0.159 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001267711537 811673268 /nfs/dbraw/zinc/67/32/68/811673268.db2.gz ZVZFEMVIDBMBNT-AVGNSLFASA-N 1 2 295.358 0.159 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 ZINC001219696563 811698455 /nfs/dbraw/zinc/69/84/55/811698455.db2.gz BOFNGSAXBPHDGA-NEPJUHHUSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 ZINC001219696563 811698457 /nfs/dbraw/zinc/69/84/57/811698457.db2.gz BOFNGSAXBPHDGA-NEPJUHHUSA-N 1 2 252.358 0.463 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267931382 811874112 /nfs/dbraw/zinc/87/41/12/811874112.db2.gz SRGYYBXVWRGNEX-CQSZACIVSA-N 1 2 289.379 0.213 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001267931382 811874122 /nfs/dbraw/zinc/87/41/22/811874122.db2.gz SRGYYBXVWRGNEX-CQSZACIVSA-N 1 2 289.379 0.213 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CCC4)C2)nn1 ZINC001105335018 811946018 /nfs/dbraw/zinc/94/60/18/811946018.db2.gz REOBLRBJLGQTSV-CQSZACIVSA-N 1 2 299.378 0.574 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)c1 ZINC001038683282 811960334 /nfs/dbraw/zinc/96/03/34/811960334.db2.gz BWLFLXGCFLZXBD-HNNXBMFYSA-N 1 2 267.332 0.890 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)c1 ZINC001038683282 811960338 /nfs/dbraw/zinc/96/03/38/811960338.db2.gz BWLFLXGCFLZXBD-HNNXBMFYSA-N 1 2 267.332 0.890 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001038684619 811962158 /nfs/dbraw/zinc/96/21/58/811962158.db2.gz OVZMBAQDEDWMJB-VXGBXAGGSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001038684619 811962163 /nfs/dbraw/zinc/96/21/63/811962163.db2.gz OVZMBAQDEDWMJB-VXGBXAGGSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038693892 811967835 /nfs/dbraw/zinc/96/78/35/811967835.db2.gz OSZWLGGWPYLWLB-LLVKDONJSA-N 1 2 275.356 0.298 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038693892 811967843 /nfs/dbraw/zinc/96/78/43/811967843.db2.gz OSZWLGGWPYLWLB-LLVKDONJSA-N 1 2 275.356 0.298 20 30 CCEDLO C[C@@H](CC(=O)NC[C@H]1CN(CC#N)CCO1)n1cc[nH+]c1 ZINC001268027374 812007613 /nfs/dbraw/zinc/00/76/13/812007613.db2.gz VFXLXUIVZGCCFO-STQMWFEESA-N 1 2 291.355 0.175 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001077391620 815490301 /nfs/dbraw/zinc/49/03/01/815490301.db2.gz PWLARUSFMSTELW-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001077391620 815490305 /nfs/dbraw/zinc/49/03/05/815490305.db2.gz PWLARUSFMSTELW-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001268028775 812018951 /nfs/dbraw/zinc/01/89/51/812018951.db2.gz NHGIJAUBGNAMDZ-QWHCGFSZSA-N 1 2 297.399 0.137 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001268028775 812018961 /nfs/dbraw/zinc/01/89/61/812018961.db2.gz NHGIJAUBGNAMDZ-QWHCGFSZSA-N 1 2 297.399 0.137 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NCC#N)CCCC1 ZINC001268053081 812138965 /nfs/dbraw/zinc/13/89/65/812138965.db2.gz GRFIAARWMVJOBW-UHFFFAOYSA-N 1 2 275.356 0.803 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001038513017 815505865 /nfs/dbraw/zinc/50/58/65/815505865.db2.gz FKJDWFYWCKHAFK-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001038513017 815505866 /nfs/dbraw/zinc/50/58/66/815505866.db2.gz FKJDWFYWCKHAFK-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](O)C1 ZINC001083587276 815506675 /nfs/dbraw/zinc/50/66/75/815506675.db2.gz NAFOWGNULDHPHC-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](O)C1 ZINC001083587276 815506677 /nfs/dbraw/zinc/50/66/77/815506677.db2.gz NAFOWGNULDHPHC-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001268153850 812311949 /nfs/dbraw/zinc/31/19/49/812311949.db2.gz RHIQXWTYWPSRFE-LBPRGKRZSA-N 1 2 278.356 0.007 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001268153850 812311960 /nfs/dbraw/zinc/31/19/60/812311960.db2.gz RHIQXWTYWPSRFE-LBPRGKRZSA-N 1 2 278.356 0.007 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](O)C1 ZINC001083589477 815514532 /nfs/dbraw/zinc/51/45/32/815514532.db2.gz JWSHBVJFXYEVKZ-KGLIPLIRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](O)C1 ZINC001083589477 815514534 /nfs/dbraw/zinc/51/45/34/815514534.db2.gz JWSHBVJFXYEVKZ-KGLIPLIRSA-N 1 2 287.363 0.442 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001038916785 812341866 /nfs/dbraw/zinc/34/18/66/812341866.db2.gz IODLHKFUPHWDNR-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001038916785 812341874 /nfs/dbraw/zinc/34/18/74/812341874.db2.gz IODLHKFUPHWDNR-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001038916785 812341882 /nfs/dbraw/zinc/34/18/82/812341882.db2.gz IODLHKFUPHWDNR-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001038916785 812341892 /nfs/dbraw/zinc/34/18/92/812341892.db2.gz IODLHKFUPHWDNR-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001268215110 812367223 /nfs/dbraw/zinc/36/72/23/812367223.db2.gz AVGFASCAMABJLB-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001268215110 812367231 /nfs/dbraw/zinc/36/72/31/812367231.db2.gz AVGFASCAMABJLB-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001126335394 812400291 /nfs/dbraw/zinc/40/02/91/812400291.db2.gz YTYYMWFQXKPLFH-UHFFFAOYSA-N 1 2 250.302 0.387 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001268260535 812427653 /nfs/dbraw/zinc/42/76/53/812427653.db2.gz YIBASJAPBZBTOD-CYBMUJFWSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2ccoc2)C1 ZINC001268279753 812443305 /nfs/dbraw/zinc/44/33/05/812443305.db2.gz HJJAMOSGVBDMAR-UHFFFAOYSA-N 1 2 264.325 0.825 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268323341 812486171 /nfs/dbraw/zinc/48/61/71/812486171.db2.gz MTBINXDLKKXTLO-RISCZKNCSA-N 1 2 296.371 0.547 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001028259309 812524008 /nfs/dbraw/zinc/52/40/08/812524008.db2.gz CBCUNFYBCVBZMY-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001028259309 812524012 /nfs/dbraw/zinc/52/40/12/812524012.db2.gz CBCUNFYBCVBZMY-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2cnoc2)C1 ZINC001268439227 812570410 /nfs/dbraw/zinc/57/04/10/812570410.db2.gz ZFWWLYAEQOPZRJ-UHFFFAOYSA-N 1 2 265.313 0.220 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126365818 812684354 /nfs/dbraw/zinc/68/43/54/812684354.db2.gz NSIFLWOPPUQGFP-CQSZACIVSA-N 1 2 294.355 0.480 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392718 812935877 /nfs/dbraw/zinc/93/58/77/812935877.db2.gz VHXAOWGYOCYGJT-UHTWSYAYSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392718 812935882 /nfs/dbraw/zinc/93/58/82/812935882.db2.gz VHXAOWGYOCYGJT-UHTWSYAYSA-N 1 2 294.330 0.409 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001268739370 813053398 /nfs/dbraw/zinc/05/33/98/813053398.db2.gz ABLKUFHPGMZGOM-LLVKDONJSA-N 1 2 279.388 0.964 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001268739370 813053408 /nfs/dbraw/zinc/05/34/08/813053408.db2.gz ABLKUFHPGMZGOM-LLVKDONJSA-N 1 2 279.388 0.964 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H](O)C1 ZINC001083632256 815574452 /nfs/dbraw/zinc/57/44/52/815574452.db2.gz LXQGEQCCYVTBGW-CABCVRRESA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H](O)C1 ZINC001083632256 815574454 /nfs/dbraw/zinc/57/44/54/815574454.db2.gz LXQGEQCCYVTBGW-CABCVRRESA-N 1 2 298.346 0.279 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001268922328 813144757 /nfs/dbraw/zinc/14/47/57/813144757.db2.gz NCRAYXWPTHYWIC-XBFCOCLRSA-N 1 2 291.395 0.762 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001268922328 813144761 /nfs/dbraw/zinc/14/47/61/813144761.db2.gz NCRAYXWPTHYWIC-XBFCOCLRSA-N 1 2 291.395 0.762 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@](C)(O)C1CC1 ZINC001269223182 813276098 /nfs/dbraw/zinc/27/60/98/813276098.db2.gz MCOWWIVTGKLMHK-GDBMZVCRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@](C)(O)C1CC1 ZINC001269223182 813276103 /nfs/dbraw/zinc/27/61/03/813276103.db2.gz MCOWWIVTGKLMHK-GDBMZVCRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCC(F)F ZINC001269267064 813297662 /nfs/dbraw/zinc/29/76/62/813297662.db2.gz PRYYCNAQUVHWGV-LLVKDONJSA-N 1 2 290.310 0.108 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)COCC(F)F ZINC001269267064 813297664 /nfs/dbraw/zinc/29/76/64/813297664.db2.gz PRYYCNAQUVHWGV-LLVKDONJSA-N 1 2 290.310 0.108 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](CC(=C)C)NC(C)=O)C1 ZINC001269855805 813532617 /nfs/dbraw/zinc/53/26/17/813532617.db2.gz MAYFFOKXEASPSA-OAHLLOKOSA-N 1 2 291.395 0.623 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001270509070 813790757 /nfs/dbraw/zinc/79/07/57/813790757.db2.gz YQNKFFNPRNBOPO-RWMBFGLXSA-N 1 2 281.356 0.299 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001270509070 813790758 /nfs/dbraw/zinc/79/07/58/813790758.db2.gz YQNKFFNPRNBOPO-RWMBFGLXSA-N 1 2 281.356 0.299 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccncc2C)C1 ZINC001270651599 813872171 /nfs/dbraw/zinc/87/21/71/813872171.db2.gz ZXNGXBCUEZZIDF-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccncc2C)C1 ZINC001270651599 813872177 /nfs/dbraw/zinc/87/21/77/813872177.db2.gz ZXNGXBCUEZZIDF-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001270656580 813875344 /nfs/dbraw/zinc/87/53/44/813875344.db2.gz DFZBCEDXFCLPQB-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001270656580 813875351 /nfs/dbraw/zinc/87/53/51/813875351.db2.gz DFZBCEDXFCLPQB-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO CC#CC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001270716353 813903246 /nfs/dbraw/zinc/90/32/46/813903246.db2.gz CRZSYZJGIANUEQ-UHFFFAOYSA-N 1 2 286.379 0.961 20 30 CCEDLO CC#CC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001270716353 813903253 /nfs/dbraw/zinc/90/32/53/813903253.db2.gz CRZSYZJGIANUEQ-UHFFFAOYSA-N 1 2 286.379 0.961 20 30 CCEDLO CC#CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001270716918 813904826 /nfs/dbraw/zinc/90/48/26/813904826.db2.gz RTNHSEBMNWJCTL-UHFFFAOYSA-N 1 2 258.325 0.193 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038440149 814048599 /nfs/dbraw/zinc/04/85/99/814048599.db2.gz CGLYFRMRUXERSS-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038440149 814048601 /nfs/dbraw/zinc/04/86/01/814048601.db2.gz CGLYFRMRUXERSS-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001059284167 814065686 /nfs/dbraw/zinc/06/56/86/814065686.db2.gz YMVYTRRJWMUXRE-JOCQHMNTSA-N 1 2 296.334 0.978 20 30 CCEDLO N#CCCCC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001271252805 814352106 /nfs/dbraw/zinc/35/21/06/814352106.db2.gz RFPWYNOAMUSKJI-UHFFFAOYSA-N 1 2 273.340 0.748 20 30 CCEDLO C=CCOCC(=O)NCC1(O)C[NH+](CC2=CCCCC2)C1 ZINC001271263693 814356948 /nfs/dbraw/zinc/35/69/48/814356948.db2.gz ZLJOVXMJUGIXIH-UHFFFAOYSA-N 1 2 294.395 0.852 20 30 CCEDLO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001029676423 814534337 /nfs/dbraw/zinc/53/43/37/814534337.db2.gz AQCQVUNAKODUDS-CMPLNLGQSA-N 1 2 290.371 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001029676423 814534343 /nfs/dbraw/zinc/53/43/43/814534343.db2.gz AQCQVUNAKODUDS-CMPLNLGQSA-N 1 2 290.371 0.553 20 30 CCEDLO COc1ccc(C#CC(=O)N2CC3(CC[N@@H+]3C)C2)cc1 ZINC001271803997 814585792 /nfs/dbraw/zinc/58/57/92/814585792.db2.gz JWKRAWRVXQWPJI-UHFFFAOYSA-N 1 2 270.332 0.963 20 30 CCEDLO COc1ccc(C#CC(=O)N2CC3(CC[N@H+]3C)C2)cc1 ZINC001271803997 814585795 /nfs/dbraw/zinc/58/57/95/814585795.db2.gz JWKRAWRVXQWPJI-UHFFFAOYSA-N 1 2 270.332 0.963 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001105419209 814622063 /nfs/dbraw/zinc/62/20/63/814622063.db2.gz LXCOERWBNVERNX-UHFFFAOYSA-N 1 2 299.338 0.140 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNc1[nH+]cnc2c1cnn2C ZINC001101544263 814866647 /nfs/dbraw/zinc/86/66/47/814866647.db2.gz SHQFISIYOKPGPG-VIFPVBQESA-N 1 2 287.327 0.393 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC001030203269 815885384 /nfs/dbraw/zinc/88/53/84/815885384.db2.gz GQHCJZUEMWBAPV-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO N#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)[nH]1 ZINC001030224648 815909475 /nfs/dbraw/zinc/90/94/75/815909475.db2.gz PVQJFVZHCWIENG-CYBMUJFWSA-N 1 2 288.351 0.869 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001030264405 815940429 /nfs/dbraw/zinc/94/04/29/815940429.db2.gz TYDIVRGVELHLGK-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105891512 815955292 /nfs/dbraw/zinc/95/52/92/815955292.db2.gz FTMFAVOXMFASJY-CMPLNLGQSA-N 1 2 294.355 0.265 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001030325497 815976076 /nfs/dbraw/zinc/97/60/76/815976076.db2.gz QYXGLADIQXBENZ-UHFFFAOYSA-N 1 2 273.340 0.440 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001030377160 816002272 /nfs/dbraw/zinc/00/22/72/816002272.db2.gz RFMTWDYSADKHCL-UHFFFAOYSA-N 1 2 286.379 0.736 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001030395959 816012380 /nfs/dbraw/zinc/01/23/80/816012380.db2.gz OJNKLTIUJZVDFV-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(C)nc2OC)C1 ZINC001030405190 816017794 /nfs/dbraw/zinc/01/77/94/816017794.db2.gz PTQFPCPBBABTTQ-UHFFFAOYSA-N 1 2 276.340 0.784 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001077471543 816065339 /nfs/dbraw/zinc/06/53/39/816065339.db2.gz QSPHQUHBSLMQBR-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001077471543 816065346 /nfs/dbraw/zinc/06/53/46/816065346.db2.gz QSPHQUHBSLMQBR-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001030586817 816127637 /nfs/dbraw/zinc/12/76/37/816127637.db2.gz YNMKXPXDXHEZJX-UHFFFAOYSA-N 1 2 264.304 0.290 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106059107 816139335 /nfs/dbraw/zinc/13/93/35/816139335.db2.gz ZNSHRACYHPEIAD-ZDUSSCGKSA-N 1 2 290.367 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2CC)C1 ZINC001030603253 816141107 /nfs/dbraw/zinc/14/11/07/816141107.db2.gz ZATWUQHESYTLBF-UHFFFAOYSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001030647663 816183817 /nfs/dbraw/zinc/18/38/17/816183817.db2.gz IYRSVQGBBGAXFI-UHFFFAOYSA-N 1 2 274.320 0.694 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001030691821 816225459 /nfs/dbraw/zinc/22/54/59/816225459.db2.gz OWTFPMLDGDVFQE-UHFFFAOYSA-N 1 2 261.325 0.706 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001030701421 816235375 /nfs/dbraw/zinc/23/53/75/816235375.db2.gz PJEQGFDBIXOFLC-NHYWBVRUSA-N 1 2 286.379 0.899 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2coc(OC)n2)C1 ZINC001030750764 816264022 /nfs/dbraw/zinc/26/40/22/816264022.db2.gz MDCDTAPZUPSLEQ-UHFFFAOYSA-N 1 2 251.286 0.673 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC001046026373 816294295 /nfs/dbraw/zinc/29/42/95/816294295.db2.gz UVDUVSQDUMALRD-VXGBXAGGSA-N 1 2 298.337 0.384 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001030861276 816361693 /nfs/dbraw/zinc/36/16/93/816361693.db2.gz PPHGCHBXBRUKIM-LLVKDONJSA-N 1 2 275.356 0.601 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030933653 816461067 /nfs/dbraw/zinc/46/10/67/816461067.db2.gz NJWVLXIOYOWSFB-LLVKDONJSA-N 1 2 258.325 0.263 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001031227135 816851869 /nfs/dbraw/zinc/85/18/69/816851869.db2.gz VWVOSIZVWXQWSH-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001031380976 817013939 /nfs/dbraw/zinc/01/39/39/817013939.db2.gz QTMRQONHQWUKDT-UHFFFAOYSA-N 1 2 288.351 0.165 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2csc3nccn23)C1 ZINC001031394204 817029490 /nfs/dbraw/zinc/02/94/90/817029490.db2.gz RBBLOHBDDOGOBM-UHFFFAOYSA-N 1 2 288.376 0.762 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001031418396 817044500 /nfs/dbraw/zinc/04/45/00/817044500.db2.gz VZXAZSUUQQOINH-NSHDSACASA-N 1 2 272.352 0.338 20 30 CCEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123798902 817072655 /nfs/dbraw/zinc/07/26/55/817072655.db2.gz DPPINXZYJNYWHW-VIFPVBQESA-N 1 2 297.384 0.656 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083757391 817082469 /nfs/dbraw/zinc/08/24/69/817082469.db2.gz JFDCPBOYDGHVER-XQQFMLRXSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083757391 817082478 /nfs/dbraw/zinc/08/24/78/817082478.db2.gz JFDCPBOYDGHVER-XQQFMLRXSA-N 1 2 264.369 0.607 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001124765346 817568427 /nfs/dbraw/zinc/56/84/27/817568427.db2.gz UMGAYVYITXDNAZ-UHFFFAOYSA-N 1 2 264.329 0.193 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001124768118 817569214 /nfs/dbraw/zinc/56/92/14/817569214.db2.gz UHRBVPQNWKIRFP-UHFFFAOYSA-N 1 2 286.763 0.482 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868509 817574131 /nfs/dbraw/zinc/57/41/31/817574131.db2.gz CTDRAHGIVTXEHG-HNKHHVNMSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868509 817574136 /nfs/dbraw/zinc/57/41/36/817574136.db2.gz CTDRAHGIVTXEHG-HNKHHVNMSA-N 1 2 298.390 0.754 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870256 817579294 /nfs/dbraw/zinc/57/92/94/817579294.db2.gz RKEDXNVIDMWPHE-MHEUCROKSA-N 1 2 299.378 0.645 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001124888482 817615761 /nfs/dbraw/zinc/61/57/61/817615761.db2.gz KTCDTJLBTRBGRG-ZCFIWIBFSA-N 1 2 273.243 0.373 20 30 CCEDLO CCO[C@H](C)c1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124902213 817624186 /nfs/dbraw/zinc/62/41/86/817624186.db2.gz HKXCBGQVIMJXTF-VHSXEESVSA-N 1 2 295.343 0.533 20 30 CCEDLO N#CCN1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032100625 817630534 /nfs/dbraw/zinc/63/05/34/817630534.db2.gz BSWHWQOZKBRZOI-UHFFFAOYSA-N 1 2 296.334 0.452 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124909028 817632618 /nfs/dbraw/zinc/63/26/18/817632618.db2.gz XZZVNBQARRZWGS-BDAKNGLRSA-N 1 2 265.317 0.558 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001032210688 817706353 /nfs/dbraw/zinc/70/63/53/817706353.db2.gz MSUBNBVJLIJUQV-UHFFFAOYSA-N 1 2 295.346 0.767 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3C[C@@H]3C)nn2)C1 ZINC001107206350 817808656 /nfs/dbraw/zinc/80/86/56/817808656.db2.gz KNDDBTXAWVINRA-NWDGAFQWSA-N 1 2 289.383 0.983 20 30 CCEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCNCC#N)[nH]n1 ZINC001127774047 817852590 /nfs/dbraw/zinc/85/25/90/817852590.db2.gz VIBBVEWFMHODNJ-LBPRGKRZSA-N 1 2 276.344 0.019 20 30 CCEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCNCC#N)[nH]n1 ZINC001127774047 817852595 /nfs/dbraw/zinc/85/25/95/817852595.db2.gz VIBBVEWFMHODNJ-LBPRGKRZSA-N 1 2 276.344 0.019 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001077599027 817859895 /nfs/dbraw/zinc/85/98/95/817859895.db2.gz LBNYHTLBTFKYLA-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001077599027 817859902 /nfs/dbraw/zinc/85/99/02/817859902.db2.gz LBNYHTLBTFKYLA-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO N#CCN1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560280 817880594 /nfs/dbraw/zinc/88/05/94/817880594.db2.gz FNBDWORIHRDMGI-UKRRQHHQSA-N 1 2 287.367 0.837 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 ZINC001077628006 817886853 /nfs/dbraw/zinc/88/68/53/817886853.db2.gz ZVVYOIJFUOTAPX-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 ZINC001077628006 817886858 /nfs/dbraw/zinc/88/68/58/817886858.db2.gz ZVVYOIJFUOTAPX-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO C[C@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)C#CC1CC1 ZINC001107720170 817964370 /nfs/dbraw/zinc/96/43/70/817964370.db2.gz QPYHOYXCBZHAET-SNVBAGLBSA-N 1 2 298.350 0.693 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719744 817964605 /nfs/dbraw/zinc/96/46/05/817964605.db2.gz HGFDTMUUSSHNGO-UKRRQHHQSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719744 817964613 /nfs/dbraw/zinc/96/46/13/817964613.db2.gz HGFDTMUUSSHNGO-UKRRQHHQSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743366 817977084 /nfs/dbraw/zinc/97/70/84/817977084.db2.gz PHEWROZNBZAKAA-AWEZNQCLSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743366 817977088 /nfs/dbraw/zinc/97/70/88/817977088.db2.gz PHEWROZNBZAKAA-AWEZNQCLSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC2CC2)C1 ZINC001107763880 817991336 /nfs/dbraw/zinc/99/13/36/817991336.db2.gz MSNMRRFOHYOPDH-HNNXBMFYSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC2CC2)C1 ZINC001107763880 817991344 /nfs/dbraw/zinc/99/13/44/817991344.db2.gz MSNMRRFOHYOPDH-HNNXBMFYSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOCC)C1 ZINC001107807260 818021259 /nfs/dbraw/zinc/02/12/59/818021259.db2.gz WNILGEYNLFYEDJ-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOCC)C1 ZINC001107807260 818021267 /nfs/dbraw/zinc/02/12/67/818021267.db2.gz WNILGEYNLFYEDJ-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078751833 818042510 /nfs/dbraw/zinc/04/25/10/818042510.db2.gz FHTIHLBWCUIHSC-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761300 818050615 /nfs/dbraw/zinc/05/06/15/818050615.db2.gz KBSFMEUDROYJSY-MNOVXSKESA-N 1 2 273.340 0.493 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829343 818056717 /nfs/dbraw/zinc/05/67/17/818056717.db2.gz FOHHMHALUIDQHW-NEPJUHHUSA-N 1 2 273.340 0.424 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCOCC2 ZINC001032822210 818068794 /nfs/dbraw/zinc/06/87/94/818068794.db2.gz IIHOGEYNBLCJOW-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCOCC2 ZINC001032822210 818068797 /nfs/dbraw/zinc/06/87/97/818068797.db2.gz IIHOGEYNBLCJOW-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)ccn1 ZINC001032823537 818070727 /nfs/dbraw/zinc/07/07/27/818070727.db2.gz JWKDEBIZZPOYLS-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)ccn1 ZINC001032823537 818070731 /nfs/dbraw/zinc/07/07/31/818070731.db2.gz JWKDEBIZZPOYLS-STQMWFEESA-N 1 2 298.346 0.103 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108046026 818109801 /nfs/dbraw/zinc/10/98/01/818109801.db2.gz HVUJVNREPNIOBU-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108046026 818109805 /nfs/dbraw/zinc/10/98/05/818109805.db2.gz HVUJVNREPNIOBU-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052624 818176922 /nfs/dbraw/zinc/17/69/22/818176922.db2.gz HEZWHWRAESFMES-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052624 818176925 /nfs/dbraw/zinc/17/69/25/818176925.db2.gz HEZWHWRAESFMES-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089998055 818241940 /nfs/dbraw/zinc/24/19/40/818241940.db2.gz TUBZNMUGMCQUED-RKDXNWHRSA-N 1 2 282.718 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089998055 818241948 /nfs/dbraw/zinc/24/19/48/818241948.db2.gz TUBZNMUGMCQUED-RKDXNWHRSA-N 1 2 282.718 0.946 20 30 CCEDLO N#CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000427898289 818308190 /nfs/dbraw/zinc/30/81/90/818308190.db2.gz SWXTWNAUAVQSSY-UHFFFAOYSA-N 1 2 283.291 0.841 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090071201 818456338 /nfs/dbraw/zinc/45/63/38/818456338.db2.gz ZEUPGBGTRICVAW-ZYHUDNBSSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090071201 818456340 /nfs/dbraw/zinc/45/63/40/818456340.db2.gz ZEUPGBGTRICVAW-ZYHUDNBSSA-N 1 2 283.759 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](O)C1 ZINC001083824868 818477887 /nfs/dbraw/zinc/47/78/87/818477887.db2.gz SNBJOWWQLKXMQZ-KGLIPLIRSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](O)C1 ZINC001083824868 818477894 /nfs/dbraw/zinc/47/78/94/818477894.db2.gz SNBJOWWQLKXMQZ-KGLIPLIRSA-N 1 2 290.367 0.091 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090089928 818492188 /nfs/dbraw/zinc/49/21/88/818492188.db2.gz BRGCBAKVMIVBDT-MNOVXSKESA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090089928 818492195 /nfs/dbraw/zinc/49/21/95/818492195.db2.gz BRGCBAKVMIVBDT-MNOVXSKESA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090100918 818515649 /nfs/dbraw/zinc/51/56/49/818515649.db2.gz AGCGVNMNQOYLQB-CMPLNLGQSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090100918 818515655 /nfs/dbraw/zinc/51/56/55/818515655.db2.gz AGCGVNMNQOYLQB-CMPLNLGQSA-N 1 2 298.774 0.636 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](O)C1 ZINC001083839699 818549806 /nfs/dbraw/zinc/54/98/06/818549806.db2.gz MAVJMXHHOMZPHW-UHDSXZAQSA-N 1 2 296.370 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](O)C1 ZINC001083839699 818549811 /nfs/dbraw/zinc/54/98/11/818549811.db2.gz MAVJMXHHOMZPHW-UHDSXZAQSA-N 1 2 296.370 0.367 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1nnc(C)o1)OCC ZINC001128527636 818606959 /nfs/dbraw/zinc/60/69/59/818606959.db2.gz AZCJBJODFQRADS-LBPRGKRZSA-N 1 2 296.371 0.955 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033351702 818732192 /nfs/dbraw/zinc/73/21/92/818732192.db2.gz BMVVKOTVHDACAO-NWDGAFQWSA-N 1 2 299.802 0.892 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033351702 818732201 /nfs/dbraw/zinc/73/22/01/818732201.db2.gz BMVVKOTVHDACAO-NWDGAFQWSA-N 1 2 299.802 0.892 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033377622 818748788 /nfs/dbraw/zinc/74/87/88/818748788.db2.gz BGEDWCZSMUTRBB-ZDUSSCGKSA-N 1 2 286.335 0.076 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033377622 818748792 /nfs/dbraw/zinc/74/87/92/818748792.db2.gz BGEDWCZSMUTRBB-ZDUSSCGKSA-N 1 2 286.335 0.076 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090156455 819000978 /nfs/dbraw/zinc/00/09/78/819000978.db2.gz UJYJUUWWRZVIQA-RYUDHWBXSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090156455 819000985 /nfs/dbraw/zinc/00/09/85/819000985.db2.gz UJYJUUWWRZVIQA-RYUDHWBXSA-N 1 2 298.774 0.256 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136088 819281515 /nfs/dbraw/zinc/28/15/15/819281515.db2.gz MHMVRTQRPCSKRS-SNVBAGLBSA-N 1 2 284.323 0.258 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035268168 819433378 /nfs/dbraw/zinc/43/33/78/819433378.db2.gz RKWMVWYWWFAVGK-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035268168 819433380 /nfs/dbraw/zinc/43/33/80/819433380.db2.gz RKWMVWYWWFAVGK-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035290846 819438373 /nfs/dbraw/zinc/43/83/73/819438373.db2.gz OOLZOSJHEVSBNN-HNNXBMFYSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035290846 819438379 /nfs/dbraw/zinc/43/83/79/819438379.db2.gz OOLZOSJHEVSBNN-HNNXBMFYSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035308037 819458914 /nfs/dbraw/zinc/45/89/14/819458914.db2.gz XKZAHAPCGGRDRB-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035308037 819458918 /nfs/dbraw/zinc/45/89/18/819458918.db2.gz XKZAHAPCGGRDRB-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035321864 819470083 /nfs/dbraw/zinc/47/00/83/819470083.db2.gz ZNWGWKYYSMYACY-NSHDSACASA-N 1 2 291.355 0.066 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001035321864 819470089 /nfs/dbraw/zinc/47/00/89/819470089.db2.gz ZNWGWKYYSMYACY-NSHDSACASA-N 1 2 291.355 0.066 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035336902 819479294 /nfs/dbraw/zinc/47/92/94/819479294.db2.gz MVMZIPZTQOTYFB-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035336902 819479298 /nfs/dbraw/zinc/47/92/98/819479298.db2.gz MVMZIPZTQOTYFB-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035364995 819502534 /nfs/dbraw/zinc/50/25/34/819502534.db2.gz MGCZBNZGJBPOGB-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035364995 819502537 /nfs/dbraw/zinc/50/25/37/819502537.db2.gz MGCZBNZGJBPOGB-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2CC)C1 ZINC001035428526 819514256 /nfs/dbraw/zinc/51/42/56/819514256.db2.gz YQTRARZNQKUUMN-LBPRGKRZSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2CC)C1 ZINC001035428526 819514261 /nfs/dbraw/zinc/51/42/61/819514261.db2.gz YQTRARZNQKUUMN-LBPRGKRZSA-N 1 2 292.383 0.599 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501972 819540920 /nfs/dbraw/zinc/54/09/20/819540920.db2.gz ZTMDPCJOCHATEI-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501972 819540922 /nfs/dbraw/zinc/54/09/22/819540922.db2.gz ZTMDPCJOCHATEI-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001035554177 819567825 /nfs/dbraw/zinc/56/78/25/819567825.db2.gz QJSSQKSVEBWTNU-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001035554177 819567834 /nfs/dbraw/zinc/56/78/34/819567834.db2.gz QJSSQKSVEBWTNU-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO N#Cc1c[nH]c2cc(-n3[nH]c(=O)nc3C[NH3+])cnc12 ZINC001168761249 819803602 /nfs/dbraw/zinc/80/36/02/819803602.db2.gz NXYNXZVRZCACIR-UHFFFAOYSA-N 1 2 255.241 0.180 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108185830 820099546 /nfs/dbraw/zinc/09/95/46/820099546.db2.gz GADYPFBIMPQCJN-GDBMZVCRSA-N 1 2 296.411 0.888 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108185830 820099557 /nfs/dbraw/zinc/09/95/57/820099557.db2.gz GADYPFBIMPQCJN-GDBMZVCRSA-N 1 2 296.411 0.888 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083912579 820230969 /nfs/dbraw/zinc/23/09/69/820230969.db2.gz GXFNFKAPDCLOFS-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083912579 820230978 /nfs/dbraw/zinc/23/09/78/820230978.db2.gz GXFNFKAPDCLOFS-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CC(=O)N1CC[NH+]([C@@H]2CCN(c3ncccc3C#N)C2)CC1 ZINC001065185306 820306964 /nfs/dbraw/zinc/30/69/64/820306964.db2.gz WUZFYQUNKBGDFA-OAHLLOKOSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990898 820496968 /nfs/dbraw/zinc/49/69/68/820496968.db2.gz OYCLURGYFAQOQK-FRRDWIJNSA-N 1 2 287.367 0.406 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001080069052 820511570 /nfs/dbraw/zinc/51/15/70/820511570.db2.gz VWHKNJKRMWJSAA-GRYCIOLGSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001080069052 820511574 /nfs/dbraw/zinc/51/15/74/820511574.db2.gz VWHKNJKRMWJSAA-GRYCIOLGSA-N 1 2 286.397 0.044 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@H](OC)C1 ZINC001081664579 820813414 /nfs/dbraw/zinc/81/34/14/820813414.db2.gz IGJBPQIMPUIJHT-ZIAGYGMSSA-N 1 2 299.374 0.562 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@H](OC)C1 ZINC001081664579 820813427 /nfs/dbraw/zinc/81/34/27/820813427.db2.gz IGJBPQIMPUIJHT-ZIAGYGMSSA-N 1 2 299.374 0.562 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1O ZINC001099727817 820815666 /nfs/dbraw/zinc/81/56/66/820815666.db2.gz SNKFOCKIZZGULH-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1O ZINC001099727817 820815679 /nfs/dbraw/zinc/81/56/79/820815679.db2.gz SNKFOCKIZZGULH-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001082060955 820890743 /nfs/dbraw/zinc/89/07/43/820890743.db2.gz MMKVXYASQDWRDK-DGCLKSJQSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001082060955 820890755 /nfs/dbraw/zinc/89/07/55/820890755.db2.gz MMKVXYASQDWRDK-DGCLKSJQSA-N 1 2 293.392 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H](OC)C1 ZINC001082151351 820908138 /nfs/dbraw/zinc/90/81/38/820908138.db2.gz PGORONKXQLSPFD-FDYHWXHSSA-N 1 2 266.341 0.003 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H](OC)C1 ZINC001082151351 820908143 /nfs/dbraw/zinc/90/81/43/820908143.db2.gz PGORONKXQLSPFD-FDYHWXHSSA-N 1 2 266.341 0.003 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@H](OC)C1 ZINC001082208546 820917843 /nfs/dbraw/zinc/91/78/43/820917843.db2.gz RNAQBDMIBNBNDP-DGCLKSJQSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@H](OC)C1 ZINC001082208546 820917847 /nfs/dbraw/zinc/91/78/47/820917847.db2.gz RNAQBDMIBNBNDP-DGCLKSJQSA-N 1 2 289.335 0.614 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001082981591 821089991 /nfs/dbraw/zinc/08/99/91/821089991.db2.gz FOMXDGBDDLHXGN-WCQYABFASA-N 1 2 262.309 0.991 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001082981591 821089996 /nfs/dbraw/zinc/08/99/96/821089996.db2.gz FOMXDGBDDLHXGN-WCQYABFASA-N 1 2 262.309 0.991 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001082981873 821090659 /nfs/dbraw/zinc/09/06/59/821090659.db2.gz WGJHSJPFUQYULE-GXTWGEPZSA-N 1 2 274.320 0.828 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001082981873 821090664 /nfs/dbraw/zinc/09/06/64/821090664.db2.gz WGJHSJPFUQYULE-GXTWGEPZSA-N 1 2 274.320 0.828 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cocn3)[C@H]2C1 ZINC001083024436 821112981 /nfs/dbraw/zinc/11/29/81/821112981.db2.gz NPDCYCGJVPABRU-QWHCGFSZSA-N 1 2 275.308 0.223 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cocn3)[C@H]2C1 ZINC001083024436 821112984 /nfs/dbraw/zinc/11/29/84/821112984.db2.gz NPDCYCGJVPABRU-QWHCGFSZSA-N 1 2 275.308 0.223 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](O)C1 ZINC001083983205 821168542 /nfs/dbraw/zinc/16/85/42/821168542.db2.gz VCTIBTXASPTCCF-KGLIPLIRSA-N 1 2 288.347 0.493 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](O)C1 ZINC001083983205 821168545 /nfs/dbraw/zinc/16/85/45/821168545.db2.gz VCTIBTXASPTCCF-KGLIPLIRSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 ZINC001083973975 821176080 /nfs/dbraw/zinc/17/60/80/821176080.db2.gz BASFWNJSRFDAFC-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 ZINC001083973975 821176085 /nfs/dbraw/zinc/17/60/85/821176085.db2.gz BASFWNJSRFDAFC-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](O)C1 ZINC001084020434 821178038 /nfs/dbraw/zinc/17/80/38/821178038.db2.gz KISYKJAVVMRXAC-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](O)C1 ZINC001084020434 821178042 /nfs/dbraw/zinc/17/80/42/821178042.db2.gz KISYKJAVVMRXAC-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809316 821329519 /nfs/dbraw/zinc/32/95/19/821329519.db2.gz GGEZLHGOTKSKHQ-QWRGUYRKSA-N 1 2 290.791 0.451 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809316 821329529 /nfs/dbraw/zinc/32/95/29/821329529.db2.gz GGEZLHGOTKSKHQ-QWRGUYRKSA-N 1 2 290.791 0.451 20 30 CCEDLO C[C@H](CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001084691560 821353165 /nfs/dbraw/zinc/35/31/65/821353165.db2.gz SXZGPOPIKNTWCA-MGPQQGTHSA-N 1 2 287.367 0.890 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000820344460 821440192 /nfs/dbraw/zinc/44/01/92/821440192.db2.gz LLBONALWBMYLQX-UBHSHLNASA-N 1 2 273.336 0.743 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000712277224 821466614 /nfs/dbraw/zinc/46/66/14/821466614.db2.gz QSFNTZHZYLHISC-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000712277224 821466616 /nfs/dbraw/zinc/46/66/16/821466616.db2.gz QSFNTZHZYLHISC-NSHDSACASA-N 1 2 280.353 0.326 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001230957262 821469924 /nfs/dbraw/zinc/46/99/24/821469924.db2.gz FBLUUSLBZLXTPO-OLZOCXBDSA-N 1 2 252.358 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001230957262 821469926 /nfs/dbraw/zinc/46/99/26/821469926.db2.gz FBLUUSLBZLXTPO-OLZOCXBDSA-N 1 2 252.358 0.967 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001098306414 821662097 /nfs/dbraw/zinc/66/20/97/821662097.db2.gz FPDDTHLEEVQGPB-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001098306904 821666293 /nfs/dbraw/zinc/66/62/93/821666293.db2.gz PTQHOXRUSLARGY-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1C#N ZINC000828717640 821814088 /nfs/dbraw/zinc/81/40/88/821814088.db2.gz ZQCXLFYWENJASE-CQSZACIVSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1C#N ZINC000828717640 821814098 /nfs/dbraw/zinc/81/40/98/821814098.db2.gz ZQCXLFYWENJASE-CQSZACIVSA-N 1 2 273.336 0.615 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085659843 821883506 /nfs/dbraw/zinc/88/35/06/821883506.db2.gz FXFIAIQTNPLWRJ-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085659843 821883518 /nfs/dbraw/zinc/88/35/18/821883518.db2.gz FXFIAIQTNPLWRJ-CQSZACIVSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(N)=O)c1 ZINC001085677736 821896105 /nfs/dbraw/zinc/89/61/05/821896105.db2.gz UBXUZMPBCVNNEC-CQSZACIVSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(N)=O)c1 ZINC001085677736 821896116 /nfs/dbraw/zinc/89/61/16/821896116.db2.gz UBXUZMPBCVNNEC-CQSZACIVSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085745492 821925500 /nfs/dbraw/zinc/92/55/00/821925500.db2.gz IUQVZODQPXPOSC-SNVBAGLBSA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085745492 821925509 /nfs/dbraw/zinc/92/55/09/821925509.db2.gz IUQVZODQPXPOSC-SNVBAGLBSA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001085824159 821971274 /nfs/dbraw/zinc/97/12/74/821971274.db2.gz BINQVPWBRYDTCG-UPJWGTAASA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001085824159 821971280 /nfs/dbraw/zinc/97/12/80/821971280.db2.gz BINQVPWBRYDTCG-UPJWGTAASA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccn2ccnc12 ZINC001085824203 821971433 /nfs/dbraw/zinc/97/14/33/821971433.db2.gz CLKPHEYFSDUVPA-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccn2ccnc12 ZINC001085824203 821971440 /nfs/dbraw/zinc/97/14/40/821971440.db2.gz CLKPHEYFSDUVPA-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CC)nn1 ZINC001085861127 821985579 /nfs/dbraw/zinc/98/55/79/821985579.db2.gz QEKRQZZEKACPDV-ZDUSSCGKSA-N 1 2 287.367 0.634 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CC)nn1 ZINC001085861127 821985584 /nfs/dbraw/zinc/98/55/84/821985584.db2.gz QEKRQZZEKACPDV-ZDUSSCGKSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CCOc1ncccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#C ZINC001085931522 822022992 /nfs/dbraw/zinc/02/29/92/822022992.db2.gz ASLBSTJYHWTIJK-AWEZNQCLSA-N 1 2 297.358 0.873 20 30 CCEDLO C#CCOc1ncccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#C ZINC001085931522 822023000 /nfs/dbraw/zinc/02/30/00/822023000.db2.gz ASLBSTJYHWTIJK-AWEZNQCLSA-N 1 2 297.358 0.873 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982593 822055514 /nfs/dbraw/zinc/05/55/14/822055514.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 1 2 281.400 0.426 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982593 822055522 /nfs/dbraw/zinc/05/55/22/822055522.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 1 2 281.400 0.426 20 30 CCEDLO C#CCN1CC2(C[NH+](CC/C=C\CC)C2)OCC1=O ZINC001273420950 822206512 /nfs/dbraw/zinc/20/65/12/822206512.db2.gz IXQLPDPVLBVBQW-WAYWQWQTSA-N 1 2 262.353 0.889 20 30 CCEDLO CCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114066497 837420364 /nfs/dbraw/zinc/42/03/64/837420364.db2.gz DDTWAUSOXVBQFC-DNJQJEMRSA-N 1 2 289.339 0.338 20 30 CCEDLO CCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114066497 837420372 /nfs/dbraw/zinc/42/03/72/837420372.db2.gz DDTWAUSOXVBQFC-DNJQJEMRSA-N 1 2 289.339 0.338 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114064140 837425413 /nfs/dbraw/zinc/42/54/13/837425413.db2.gz MWUFHEUDKBIXFM-UXCLJVHYSA-N 1 2 276.365 0.849 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114064140 837425417 /nfs/dbraw/zinc/42/54/17/837425417.db2.gz MWUFHEUDKBIXFM-UXCLJVHYSA-N 1 2 276.365 0.849 20 30 CCEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)oc1C ZINC001114063923 837425548 /nfs/dbraw/zinc/42/55/48/837425548.db2.gz JUHINJHFLZVOIB-XFOOOJQKSA-N 1 2 288.351 0.998 20 30 CCEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)oc1C ZINC001114063923 837425552 /nfs/dbraw/zinc/42/55/52/837425552.db2.gz JUHINJHFLZVOIB-XFOOOJQKSA-N 1 2 288.351 0.998 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCC(N)=O)C1 ZINC001108332701 835971328 /nfs/dbraw/zinc/97/13/28/835971328.db2.gz FMXMQNUEXRKNDZ-OAHLLOKOSA-N 1 2 297.399 0.425 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCC(N)=O)C1 ZINC001108332701 835971330 /nfs/dbraw/zinc/97/13/30/835971330.db2.gz FMXMQNUEXRKNDZ-OAHLLOKOSA-N 1 2 297.399 0.425 20 30 CCEDLO Cn1cc(NC(=O)CCc2ccc(N)[nH+]c2)c(C#N)n1 ZINC001183929246 844121676 /nfs/dbraw/zinc/12/16/76/844121676.db2.gz MJFHVBYXCXEESI-UHFFFAOYSA-N 1 2 270.296 0.840 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)nc(C3CC3)n2)C[NH2+]1 ZINC001169131299 836147207 /nfs/dbraw/zinc/14/72/07/836147207.db2.gz YINXZEMTHZLACW-MNOVXSKESA-N 1 2 287.323 0.541 20 30 CCEDLO C=CC[NH+]1CCN([C@@H]2CC[C@@H](C(=O)OCC)OC2)CC1 ZINC001169391649 836261918 /nfs/dbraw/zinc/26/19/18/836261918.db2.gz ISDODOBSBBTNJZ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485689 836284178 /nfs/dbraw/zinc/28/41/78/836284178.db2.gz GHLNKUSQKQLWQT-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCSC)CC2=O)C1 ZINC001108502400 836336826 /nfs/dbraw/zinc/33/68/26/836336826.db2.gz NKNUGVUIANHZQW-LLVKDONJSA-N 1 2 297.424 0.327 20 30 CCEDLO C#C[C@](C)(CC)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC001169691882 836420258 /nfs/dbraw/zinc/42/02/58/836420258.db2.gz HIHFQHQPZNHVOZ-OAHLLOKOSA-N 1 2 287.367 0.969 20 30 CCEDLO C#C[C@](C)(CC)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001169691882 836420261 /nfs/dbraw/zinc/42/02/61/836420261.db2.gz HIHFQHQPZNHVOZ-OAHLLOKOSA-N 1 2 287.367 0.969 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cc[nH+]c1 ZINC001108624055 836499164 /nfs/dbraw/zinc/49/91/64/836499164.db2.gz FUWKDYWHUSMLIY-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056824 836610475 /nfs/dbraw/zinc/61/04/75/836610475.db2.gz HTWRIEBNSBDWNE-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109078192 836612321 /nfs/dbraw/zinc/61/23/21/836612321.db2.gz GLEAUEURSAMQQF-RNJOBUHISA-N 1 2 290.367 0.100 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109078192 836612323 /nfs/dbraw/zinc/61/23/23/836612323.db2.gz GLEAUEURSAMQQF-RNJOBUHISA-N 1 2 290.367 0.100 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133003 836619749 /nfs/dbraw/zinc/61/97/49/836619749.db2.gz WBDJJBLANBSEBZ-BFMBINPPSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133003 836619753 /nfs/dbraw/zinc/61/97/53/836619753.db2.gz WBDJJBLANBSEBZ-BFMBINPPSA-N 1 2 289.379 0.424 20 30 CCEDLO N#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590943 836801127 /nfs/dbraw/zinc/80/11/27/836801127.db2.gz ZGGFJOBTDGWGEK-ZFWWWQNUSA-N 1 2 287.367 0.625 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001112698936 836867997 /nfs/dbraw/zinc/86/79/97/836867997.db2.gz NBFUIGWQDFUNOH-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ocnc2C)CC1 ZINC001112749923 836893295 /nfs/dbraw/zinc/89/32/95/836893295.db2.gz NWOPBRNSEDZSLP-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112804303 836918266 /nfs/dbraw/zinc/91/82/66/836918266.db2.gz IYMLEUXWLNWJNM-OAHLLOKOSA-N 1 2 292.383 0.354 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001113019811 837001158 /nfs/dbraw/zinc/00/11/58/837001158.db2.gz YTUQEKZQGBBBPS-UHFFFAOYSA-N 1 2 291.351 0.634 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2nnc(C)s2)CC1 ZINC001113073806 837015756 /nfs/dbraw/zinc/01/57/56/837015756.db2.gz JJSLFBYJNNYYLG-UHFFFAOYSA-N 1 2 296.396 0.693 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113081298 837018118 /nfs/dbraw/zinc/01/81/18/837018118.db2.gz ASDFQKJITDOJNI-WDEREUQCSA-N 1 2 299.338 0.550 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001113257712 837069256 /nfs/dbraw/zinc/06/92/56/837069256.db2.gz GUDDWFFDQXDJOW-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113323632 837083512 /nfs/dbraw/zinc/08/35/12/837083512.db2.gz YTWXYVLLIDVVQQ-UHFFFAOYSA-N 1 2 282.384 0.496 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnon2)CC1 ZINC001113444116 837115869 /nfs/dbraw/zinc/11/58/69/837115869.db2.gz POOGYEDAQITBOT-UHFFFAOYSA-N 1 2 266.301 0.030 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC001113565045 837159807 /nfs/dbraw/zinc/15/98/07/837159807.db2.gz RJXPSFPQWQPUNN-AWEZNQCLSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 ZINC001113644420 837187177 /nfs/dbraw/zinc/18/71/77/837187177.db2.gz WPHIFESDTIGGJD-GFCCVEGCSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCCC(=O)NC)CC1 ZINC001113708122 837202892 /nfs/dbraw/zinc/20/28/92/837202892.db2.gz XLEJZLSUJATWBW-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131646497 838165075 /nfs/dbraw/zinc/16/50/75/838165075.db2.gz WKKIMKSMSIQXCW-SWLSCSKDSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131646497 838165079 /nfs/dbraw/zinc/16/50/79/838165079.db2.gz WKKIMKSMSIQXCW-SWLSCSKDSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132401824 838385220 /nfs/dbraw/zinc/38/52/20/838385220.db2.gz GBNRDOCEKWIPFH-UHFFFAOYSA-N 1 2 252.318 0.796 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC001132432719 838394420 /nfs/dbraw/zinc/39/44/20/838394420.db2.gz FVZUFHAYWGMVED-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC001132432719 838394428 /nfs/dbraw/zinc/39/44/28/838394428.db2.gz FVZUFHAYWGMVED-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC001132432722 838394710 /nfs/dbraw/zinc/39/47/10/838394710.db2.gz FVZUFHAYWGMVED-RYUDHWBXSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC001132432722 838394716 /nfs/dbraw/zinc/39/47/16/838394716.db2.gz FVZUFHAYWGMVED-RYUDHWBXSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H](C[C@@H](C)NC(=O)CCc1c[nH+]cn1C)NCC#N ZINC001136052950 839508851 /nfs/dbraw/zinc/50/88/51/839508851.db2.gz YTADKWKXQLDFJX-VXGBXAGGSA-N 1 2 277.372 0.749 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC001186046970 844496033 /nfs/dbraw/zinc/49/60/33/844496033.db2.gz INHTZLZAKFDRRX-JTQLQIEISA-N 1 2 261.281 0.269 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC001186046970 844496039 /nfs/dbraw/zinc/49/60/39/844496039.db2.gz INHTZLZAKFDRRX-JTQLQIEISA-N 1 2 261.281 0.269 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186047254 844497222 /nfs/dbraw/zinc/49/72/22/844497222.db2.gz JABFBURAUNCDTH-NSHDSACASA-N 1 2 274.324 0.605 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186047254 844497225 /nfs/dbraw/zinc/49/72/25/844497225.db2.gz JABFBURAUNCDTH-NSHDSACASA-N 1 2 274.324 0.605 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC001144641194 840107029 /nfs/dbraw/zinc/10/70/29/840107029.db2.gz MGOUMBJVRFDGQY-UHFFFAOYSA-N 1 2 269.352 0.719 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC001148389801 840791570 /nfs/dbraw/zinc/79/15/70/840791570.db2.gz VHGPZOCNXYOGCC-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@H]3CCC=CO3)C2)OCC1=O ZINC001273444159 840927475 /nfs/dbraw/zinc/92/74/75/840927475.db2.gz VDUUTNNZIVRLFI-CYBMUJFWSA-N 1 2 278.352 0.778 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1c[nH+]c2c(c1)CCCN2 ZINC001171369627 840969811 /nfs/dbraw/zinc/96/98/11/840969811.db2.gz WOZXQFINDCHFSR-KWQFWETISA-N 1 2 262.313 0.375 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)c1nccn12 ZINC001092338132 841012158 /nfs/dbraw/zinc/01/21/58/841012158.db2.gz HPTYKRXQWVXXFD-JTQLQIEISA-N 1 2 294.305 0.743 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc[nH]1)c1nccn12 ZINC001092367686 841012990 /nfs/dbraw/zinc/01/29/90/841012990.db2.gz AIXJNCJQAMDTRN-LLVKDONJSA-N 1 2 298.350 0.678 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093223078 841181193 /nfs/dbraw/zinc/18/11/93/841181193.db2.gz QFOMYSLEXOXATO-JYAVWHMHSA-N 1 2 288.351 0.538 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786396 841218307 /nfs/dbraw/zinc/21/83/07/841218307.db2.gz URLOMODFWLVMKU-KGLIPLIRSA-N 1 2 287.367 0.720 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001093533238 841314748 /nfs/dbraw/zinc/31/47/48/841314748.db2.gz CSOKHHYTZKPJHU-UHFFFAOYSA-N 1 2 290.367 0.901 20 30 CCEDLO Cc1nsc(NCCNC(=O)Cn2cc[nH+]c2)c1C#N ZINC001093702307 841442200 /nfs/dbraw/zinc/44/22/00/841442200.db2.gz UYORQBZWMCNEFV-UHFFFAOYSA-N 1 2 290.352 0.748 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1cncc(C#N)n1 ZINC001093777089 841468493 /nfs/dbraw/zinc/46/84/93/841468493.db2.gz VIHOOAHSXGCPGI-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccoc3)nn2)C1 ZINC001094275954 841580864 /nfs/dbraw/zinc/58/08/64/841580864.db2.gz YVIZBARTDRHIPZ-UHFFFAOYSA-N 1 2 287.323 0.844 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC34CC4)nn2)C1 ZINC001094323073 841616006 /nfs/dbraw/zinc/61/60/06/841616006.db2.gz VKQSBQVHVQXBEI-CYBMUJFWSA-N 1 2 287.367 0.737 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150141238 842012740 /nfs/dbraw/zinc/01/27/40/842012740.db2.gz YRBKKIQDXFWDNI-STQMWFEESA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150141238 842012752 /nfs/dbraw/zinc/01/27/52/842012752.db2.gz YRBKKIQDXFWDNI-STQMWFEESA-N 1 2 297.399 0.281 20 30 CCEDLO C[C@H](CCCCNCC#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479734 842252584 /nfs/dbraw/zinc/25/25/84/842252584.db2.gz SXXMQWGZRQESAL-LLVKDONJSA-N 1 2 263.345 0.740 20 30 CCEDLO C=C(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176379943 842359431 /nfs/dbraw/zinc/35/94/31/842359431.db2.gz MCZRRUMGHIFIJV-LLVKDONJSA-N 1 2 250.302 0.149 20 30 CCEDLO C=C(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176379943 842359443 /nfs/dbraw/zinc/35/94/43/842359443.db2.gz MCZRRUMGHIFIJV-LLVKDONJSA-N 1 2 250.302 0.149 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182496362 843845808 /nfs/dbraw/zinc/84/58/08/843845808.db2.gz IVQJDOXNPCLBPL-GFCCVEGCSA-N 1 2 292.339 0.108 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182515005 843848708 /nfs/dbraw/zinc/84/87/08/843848708.db2.gz YURRXLGEKDZFHD-LLVKDONJSA-N 1 2 294.380 0.269 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)C(=O)OC)CC1 ZINC001182529811 843856159 /nfs/dbraw/zinc/85/61/59/843856159.db2.gz ZSVNFAYHSXBGDE-UHFFFAOYSA-N 1 2 268.357 0.906 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001188287561 844862900 /nfs/dbraw/zinc/86/29/00/844862900.db2.gz NPFCNWDUNWHICV-LLVKDONJSA-N 1 2 296.396 0.821 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001188310170 844863397 /nfs/dbraw/zinc/86/33/97/844863397.db2.gz QCLMLQPPFSILMT-CMPLNLGQSA-N 1 2 294.355 0.660 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC001190589746 845441100 /nfs/dbraw/zinc/44/11/00/845441100.db2.gz HDQFFGQYJJLMOL-UHFFFAOYSA-N 1 2 256.309 0.897 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001192416154 845839388 /nfs/dbraw/zinc/83/93/88/845839388.db2.gz KNFHAMYSNMOWIK-CYBMUJFWSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001192416154 845839394 /nfs/dbraw/zinc/83/93/94/845839394.db2.gz KNFHAMYSNMOWIK-CYBMUJFWSA-N 1 2 275.356 0.293 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001192770291 845906027 /nfs/dbraw/zinc/90/60/27/845906027.db2.gz IKJJEVNCCUBWGU-HUUCEWRRSA-N 1 2 285.347 0.156 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001192770291 845906030 /nfs/dbraw/zinc/90/60/30/845906030.db2.gz IKJJEVNCCUBWGU-HUUCEWRRSA-N 1 2 285.347 0.156 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCCCCC)C1 ZINC001192907651 845927632 /nfs/dbraw/zinc/92/76/32/845927632.db2.gz OFNHKPGNYQVJBQ-RRFJBIMHSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCCCCC)C1 ZINC001192907651 845927655 /nfs/dbraw/zinc/92/76/55/845927655.db2.gz OFNHKPGNYQVJBQ-RRFJBIMHSA-N 1 2 296.411 0.766 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001193002537 845952357 /nfs/dbraw/zinc/95/23/57/845952357.db2.gz ITKOEWVHXQUCIV-LBPRGKRZSA-N 1 2 280.353 0.099 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001193002537 845952361 /nfs/dbraw/zinc/95/23/61/845952361.db2.gz ITKOEWVHXQUCIV-LBPRGKRZSA-N 1 2 280.353 0.099 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001193178827 846024415 /nfs/dbraw/zinc/02/44/15/846024415.db2.gz RARMXMGDJCCEFG-YPMHNXCESA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001193178827 846024419 /nfs/dbraw/zinc/02/44/19/846024419.db2.gz RARMXMGDJCCEFG-YPMHNXCESA-N 1 2 294.380 0.487 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001193399729 846072459 /nfs/dbraw/zinc/07/24/59/846072459.db2.gz CDMVOFDFAYCENI-CHWSQXEVSA-N 1 2 297.399 0.029 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001193399729 846072463 /nfs/dbraw/zinc/07/24/63/846072463.db2.gz CDMVOFDFAYCENI-CHWSQXEVSA-N 1 2 297.399 0.029 20 30 CCEDLO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc(C#N)c1O ZINC001193658174 846139451 /nfs/dbraw/zinc/13/94/51/846139451.db2.gz WWCBWWROMHJPBM-UHFFFAOYSA-N 1 2 283.291 0.395 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001194024186 846200667 /nfs/dbraw/zinc/20/06/67/846200667.db2.gz YFQRZDRBVHHKAM-NWANDNLSSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001194024186 846200674 /nfs/dbraw/zinc/20/06/74/846200674.db2.gz YFQRZDRBVHHKAM-NWANDNLSSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001194137726 846232586 /nfs/dbraw/zinc/23/25/86/846232586.db2.gz YFHPCTNZDNBHLT-QJPTWQEYSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001194137726 846232597 /nfs/dbraw/zinc/23/25/97/846232597.db2.gz YFHPCTNZDNBHLT-QJPTWQEYSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001194308393 846257998 /nfs/dbraw/zinc/25/79/98/846257998.db2.gz KKUQBZQBAJBUEH-IACUBPJLSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001194308393 846258007 /nfs/dbraw/zinc/25/80/07/846258007.db2.gz KKUQBZQBAJBUEH-IACUBPJLSA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194605784 846332982 /nfs/dbraw/zinc/33/29/82/846332982.db2.gz AUBTXOSEDLEQJX-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194605784 846332990 /nfs/dbraw/zinc/33/29/90/846332990.db2.gz AUBTXOSEDLEQJX-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO N#CCSCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001194918869 846417193 /nfs/dbraw/zinc/41/71/93/846417193.db2.gz DCXBARLRRVQMET-UHFFFAOYSA-N 1 2 259.350 0.747 20 30 CCEDLO N#CCSCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001194918869 846417200 /nfs/dbraw/zinc/41/72/00/846417200.db2.gz DCXBARLRRVQMET-UHFFFAOYSA-N 1 2 259.350 0.747 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC001194970766 846430074 /nfs/dbraw/zinc/43/00/74/846430074.db2.gz JFWDSMASANNKLN-UHFFFAOYSA-N 1 2 294.380 0.336 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC001194970766 846430080 /nfs/dbraw/zinc/43/00/80/846430080.db2.gz JFWDSMASANNKLN-UHFFFAOYSA-N 1 2 294.380 0.336 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195313863 846503855 /nfs/dbraw/zinc/50/38/55/846503855.db2.gz GEYWDHPLHYGIPE-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195313863 846503859 /nfs/dbraw/zinc/50/38/59/846503859.db2.gz GEYWDHPLHYGIPE-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC001195467293 846546552 /nfs/dbraw/zinc/54/65/52/846546552.db2.gz XDLXZPPVLHELQD-UHFFFAOYSA-N 1 2 290.367 0.271 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC001195467293 846546561 /nfs/dbraw/zinc/54/65/61/846546561.db2.gz XDLXZPPVLHELQD-UHFFFAOYSA-N 1 2 290.367 0.271 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cncnc2)CC1 ZINC001195555721 846557816 /nfs/dbraw/zinc/55/78/16/846557816.db2.gz IXYYKADORVCIAL-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cncnc2)CC1 ZINC001195555721 846557821 /nfs/dbraw/zinc/55/78/21/846557821.db2.gz IXYYKADORVCIAL-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC001195736192 846617661 /nfs/dbraw/zinc/61/76/61/846617661.db2.gz HTOXLCGLEJJNIY-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC001195736192 846617664 /nfs/dbraw/zinc/61/76/64/846617664.db2.gz HTOXLCGLEJJNIY-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO Cc1[nH]c(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251003801 846777728 /nfs/dbraw/zinc/77/77/28/846777728.db2.gz PGAYEUZFIVZQBH-LBPRGKRZSA-N 1 2 278.356 0.608 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196754825 846798227 /nfs/dbraw/zinc/79/82/27/846798227.db2.gz XYBJMHFLIMQZBF-AWEZNQCLSA-N 1 2 293.411 0.978 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196754825 846798229 /nfs/dbraw/zinc/79/82/29/846798229.db2.gz XYBJMHFLIMQZBF-AWEZNQCLSA-N 1 2 293.411 0.978 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC001197068139 846836684 /nfs/dbraw/zinc/83/66/84/846836684.db2.gz FBDIMDZEOXZECP-UHFFFAOYSA-N 1 2 294.330 0.347 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC001197068139 846836691 /nfs/dbraw/zinc/83/66/91/846836691.db2.gz FBDIMDZEOXZECP-UHFFFAOYSA-N 1 2 294.330 0.347 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cccnn2)CC1 ZINC001197528367 846929286 /nfs/dbraw/zinc/92/92/86/846929286.db2.gz WCUKXQKFHGGYHB-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cccnn2)CC1 ZINC001197528367 846929296 /nfs/dbraw/zinc/92/92/96/846929296.db2.gz WCUKXQKFHGGYHB-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO N#Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001198751351 847160403 /nfs/dbraw/zinc/16/04/03/847160403.db2.gz DBRAPEBRPKQBOD-NXEZZACHSA-N 1 2 267.354 0.437 20 30 CCEDLO N#Cc1csc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001198751351 847160409 /nfs/dbraw/zinc/16/04/09/847160409.db2.gz DBRAPEBRPKQBOD-NXEZZACHSA-N 1 2 267.354 0.437 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001251835836 847184264 /nfs/dbraw/zinc/18/42/64/847184264.db2.gz PZDSEACKOPNLLQ-LLVKDONJSA-N 1 2 257.330 0.271 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001251835836 847184267 /nfs/dbraw/zinc/18/42/67/847184267.db2.gz PZDSEACKOPNLLQ-LLVKDONJSA-N 1 2 257.330 0.271 20 30 CCEDLO C#CCN1c2ccccc2[C@@]2(CC[N@@H+](CC(=O)OC)C2)C1=O ZINC001273931489 847861352 /nfs/dbraw/zinc/86/13/52/847861352.db2.gz LKUHXHULVJTBCF-KRWDZBQOSA-N 1 2 298.342 0.783 20 30 CCEDLO C#CCN1c2ccccc2[C@@]2(CC[N@H+](CC(=O)OC)C2)C1=O ZINC001273931489 847861357 /nfs/dbraw/zinc/86/13/57/847861357.db2.gz LKUHXHULVJTBCF-KRWDZBQOSA-N 1 2 298.342 0.783 20 30 CCEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NC2COC2)CC1 ZINC001274032637 848313747 /nfs/dbraw/zinc/31/37/47/848313747.db2.gz UFNXXZKADKGIFS-LBPRGKRZSA-N 1 2 263.341 0.517 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274040750 848317879 /nfs/dbraw/zinc/31/78/79/848317879.db2.gz TXCPFPBXAWHTIZ-UONOGXRCSA-N 1 2 281.306 0.888 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274040750 848317889 /nfs/dbraw/zinc/31/78/89/848317889.db2.gz TXCPFPBXAWHTIZ-UONOGXRCSA-N 1 2 281.306 0.888 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001274048515 848325634 /nfs/dbraw/zinc/32/56/34/848325634.db2.gz LPQLEEBLUJJYOZ-RTMURIBGSA-N 1 2 252.211 0.782 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001274048515 848325642 /nfs/dbraw/zinc/32/56/42/848325642.db2.gz LPQLEEBLUJJYOZ-RTMURIBGSA-N 1 2 252.211 0.782 20 30 CCEDLO CC(C)(CO)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274055912 848330556 /nfs/dbraw/zinc/33/05/56/848330556.db2.gz XHOVFKOYQHTRND-UHFFFAOYSA-N 1 2 295.383 0.222 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1cnn[nH]1 ZINC001274160589 848361385 /nfs/dbraw/zinc/36/13/85/848361385.db2.gz AMUOFEQGLWWHRW-NSCUHMNNSA-N 1 2 255.709 0.433 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1csnn1 ZINC001274701620 848547068 /nfs/dbraw/zinc/54/70/68/848547068.db2.gz MELYLSMQBHFXIH-ZJUUUORDSA-N 1 2 284.385 0.896 20 30 CCEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cn1 ZINC001275295863 848687796 /nfs/dbraw/zinc/68/77/96/848687796.db2.gz MMZQBHVCJKHRCM-UHFFFAOYSA-N 1 2 294.362 0.994 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCC(F)(F)F)C1 ZINC001276038274 848907919 /nfs/dbraw/zinc/90/79/19/848907919.db2.gz WJDSSHRVSBATFH-UHFFFAOYSA-N 1 2 292.301 0.905 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2nonc2C)C1 ZINC001276108813 848929437 /nfs/dbraw/zinc/92/94/37/848929437.db2.gz RFLLYTSKUUBAGQ-UHFFFAOYSA-N 1 2 280.328 0.121 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639766 849003928 /nfs/dbraw/zinc/00/39/28/849003928.db2.gz QSQFDRHETKEEOO-NEBZKDRISA-N 1 2 299.378 0.691 20 30 CCEDLO CC(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276341770 849432853 /nfs/dbraw/zinc/43/28/53/849432853.db2.gz GWDNSGXKEUYACZ-LBPRGKRZSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038245929 849828058 /nfs/dbraw/zinc/82/80/58/849828058.db2.gz MCSDJUMEPOZDID-NEPJUHHUSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038245929 849828061 /nfs/dbraw/zinc/82/80/61/849828061.db2.gz MCSDJUMEPOZDID-NEPJUHHUSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC001038304536 849844084 /nfs/dbraw/zinc/84/40/84/849844084.db2.gz XQFUMBFZCFAUFW-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC001038304536 849844086 /nfs/dbraw/zinc/84/40/86/849844086.db2.gz XQFUMBFZCFAUFW-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304751 849844162 /nfs/dbraw/zinc/84/41/62/849844162.db2.gz ARVLQNJCNGJUQS-ZDUSSCGKSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304751 849844167 /nfs/dbraw/zinc/84/41/67/849844167.db2.gz ARVLQNJCNGJUQS-ZDUSSCGKSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038335527 849855691 /nfs/dbraw/zinc/85/56/91/849855691.db2.gz MRLOQIYRQVHJTB-VIFPVBQESA-N 1 2 266.732 0.809 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038335527 849855697 /nfs/dbraw/zinc/85/56/97/849855697.db2.gz MRLOQIYRQVHJTB-VIFPVBQESA-N 1 2 266.732 0.809 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1NC(=O)CO2 ZINC001038350405 849860615 /nfs/dbraw/zinc/86/06/15/849860615.db2.gz ZUAMMTANAGVEPZ-LLVKDONJSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1NC(=O)CO2 ZINC001038350405 849860626 /nfs/dbraw/zinc/86/06/26/849860626.db2.gz ZUAMMTANAGVEPZ-LLVKDONJSA-N 1 2 299.330 0.455 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001038388218 849876963 /nfs/dbraw/zinc/87/69/63/849876963.db2.gz YITPCCHHBRWAMR-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001038388218 849876967 /nfs/dbraw/zinc/87/69/67/849876967.db2.gz YITPCCHHBRWAMR-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001038401047 849880204 /nfs/dbraw/zinc/88/02/04/849880204.db2.gz NWBJUXUBCNLMRA-CQSZACIVSA-N 1 2 299.374 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001038401047 849880211 /nfs/dbraw/zinc/88/02/11/849880211.db2.gz NWBJUXUBCNLMRA-CQSZACIVSA-N 1 2 299.374 0.953 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038424812 849892007 /nfs/dbraw/zinc/89/20/07/849892007.db2.gz CRNQPLBPXDKFMX-LLVKDONJSA-N 1 2 299.334 0.491 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038424812 849892014 /nfs/dbraw/zinc/89/20/14/849892014.db2.gz CRNQPLBPXDKFMX-LLVKDONJSA-N 1 2 299.334 0.491 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)ccc1=O ZINC001038500283 849923556 /nfs/dbraw/zinc/92/35/56/849923556.db2.gz KPCNAEBYNBCALW-NSHDSACASA-N 1 2 261.325 0.375 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)ccc1=O ZINC001038500283 849923562 /nfs/dbraw/zinc/92/35/62/849923562.db2.gz KPCNAEBYNBCALW-NSHDSACASA-N 1 2 261.325 0.375 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038511440 849927255 /nfs/dbraw/zinc/92/72/55/849927255.db2.gz NNSSYXHPRLNHON-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001038511440 849927258 /nfs/dbraw/zinc/92/72/58/849927258.db2.gz NNSSYXHPRLNHON-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038517619 849930398 /nfs/dbraw/zinc/93/03/98/849930398.db2.gz ZAXHDPCHTYEFTC-SNVBAGLBSA-N 1 2 278.308 0.639 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038517619 849930403 /nfs/dbraw/zinc/93/04/03/849930403.db2.gz ZAXHDPCHTYEFTC-SNVBAGLBSA-N 1 2 278.308 0.639 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001038555428 849941069 /nfs/dbraw/zinc/94/10/69/849941069.db2.gz PZWFLGXLUHQMQC-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001038555428 849941079 /nfs/dbraw/zinc/94/10/79/849941079.db2.gz PZWFLGXLUHQMQC-HUUCEWRRSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001038566430 849944509 /nfs/dbraw/zinc/94/45/09/849944509.db2.gz FEAWPFDRXVBYTG-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001038566430 849944517 /nfs/dbraw/zinc/94/45/17/849944517.db2.gz FEAWPFDRXVBYTG-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001038719352 849993467 /nfs/dbraw/zinc/99/34/67/849993467.db2.gz KACDIOVJEONVRH-MELADBBJSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001038719352 849993472 /nfs/dbraw/zinc/99/34/72/849993472.db2.gz KACDIOVJEONVRH-MELADBBJSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038856630 850049328 /nfs/dbraw/zinc/04/93/28/850049328.db2.gz PQCMRCFOBHPRLE-LLVKDONJSA-N 1 2 261.329 0.296 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038856630 850049333 /nfs/dbraw/zinc/04/93/33/850049333.db2.gz PQCMRCFOBHPRLE-LLVKDONJSA-N 1 2 261.329 0.296 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(COC)n1 ZINC001038867625 850055736 /nfs/dbraw/zinc/05/57/36/850055736.db2.gz LIFCOSLVCCXSDV-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(COC)n1 ZINC001038867625 850055748 /nfs/dbraw/zinc/05/57/48/850055748.db2.gz LIFCOSLVCCXSDV-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001038902248 850073561 /nfs/dbraw/zinc/07/35/61/850073561.db2.gz DRVVOZXPBGHSAT-GFCCVEGCSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001038902248 850073574 /nfs/dbraw/zinc/07/35/74/850073574.db2.gz DRVVOZXPBGHSAT-GFCCVEGCSA-N 1 2 299.334 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038922254 850085269 /nfs/dbraw/zinc/08/52/69/850085269.db2.gz WAKSSWBZNIJHON-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038922254 850085279 /nfs/dbraw/zinc/08/52/79/850085279.db2.gz WAKSSWBZNIJHON-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038977084 850106893 /nfs/dbraw/zinc/10/68/93/850106893.db2.gz NSNADVRTSSLUEX-GFCCVEGCSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038977084 850106904 /nfs/dbraw/zinc/10/69/04/850106904.db2.gz NSNADVRTSSLUEX-GFCCVEGCSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039015633 850121885 /nfs/dbraw/zinc/12/18/85/850121885.db2.gz WKZGXTJBCLTGQX-LBPRGKRZSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039015633 850121888 /nfs/dbraw/zinc/12/18/88/850121888.db2.gz WKZGXTJBCLTGQX-LBPRGKRZSA-N 1 2 283.335 0.704 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039078631 850148972 /nfs/dbraw/zinc/14/89/72/850148972.db2.gz BGSPDLIJIDTILE-LLVKDONJSA-N 1 2 263.345 0.597 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039078631 850148978 /nfs/dbraw/zinc/14/89/78/850148978.db2.gz BGSPDLIJIDTILE-LLVKDONJSA-N 1 2 263.345 0.597 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC001042479684 850660027 /nfs/dbraw/zinc/66/00/27/850660027.db2.gz ILOZUDMZLRTBRR-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(O)CC2)C1 ZINC001042670421 850730571 /nfs/dbraw/zinc/73/05/71/850730571.db2.gz CQIFPTNHHLEDQO-UHFFFAOYSA-N 1 2 252.358 0.866 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042704937 850741106 /nfs/dbraw/zinc/74/11/06/850741106.db2.gz CKOWQMGJRNENRR-GHMZBOCLSA-N 1 2 253.302 0.370 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001042773975 850757994 /nfs/dbraw/zinc/75/79/94/850757994.db2.gz ONSKRIJMSVJZNO-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001042852619 850771773 /nfs/dbraw/zinc/77/17/73/850771773.db2.gz HAODLCCSRMLPFZ-UHFFFAOYSA-N 1 2 286.339 0.685 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001042894510 850776586 /nfs/dbraw/zinc/77/65/86/850776586.db2.gz NCHVLDWITKXDPY-UHFFFAOYSA-N 1 2 287.363 0.867 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001043134321 850819045 /nfs/dbraw/zinc/81/90/45/850819045.db2.gz XYVADTXVTPHFIB-LBPRGKRZSA-N 1 2 272.352 0.221 20 30 CCEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CN(CC#N)C1 ZINC001043328467 850855240 /nfs/dbraw/zinc/85/52/40/850855240.db2.gz NVXPPPMNSFIHPW-UHFFFAOYSA-N 1 2 269.308 0.614 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ncccc2OC)C1 ZINC001043644518 850916650 /nfs/dbraw/zinc/91/66/50/850916650.db2.gz GVTUVDJNMYJWNV-UHFFFAOYSA-N 1 2 275.352 0.961 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001043934465 850967066 /nfs/dbraw/zinc/96/70/66/850967066.db2.gz ADNDZMDWAAETBL-JQWIXIFHSA-N 1 2 265.357 0.230 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001044154699 851024102 /nfs/dbraw/zinc/02/41/02/851024102.db2.gz PKFWXGOFEPKQBA-MRXNPFEDSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cnn(CC)c2)C1 ZINC001044171214 851030463 /nfs/dbraw/zinc/03/04/63/851030463.db2.gz HRYBPEYSIUPXLQ-UHFFFAOYSA-N 1 2 262.357 0.774 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001044181161 851035155 /nfs/dbraw/zinc/03/51/55/851035155.db2.gz QFMCNMNEBQTBDO-UHFFFAOYSA-N 1 2 298.350 0.212 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001044276070 851058700 /nfs/dbraw/zinc/05/87/00/851058700.db2.gz ULFYLESZDWXJRP-UHFFFAOYSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001045493722 851265948 /nfs/dbraw/zinc/26/59/48/851265948.db2.gz DPFOVOYUHCVFRW-GFCCVEGCSA-N 1 2 298.408 0.025 20 30 CCEDLO CS[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046009164 851348887 /nfs/dbraw/zinc/34/88/87/851348887.db2.gz NUPPMLQWGHWZRP-CHWSQXEVSA-N 1 2 296.440 0.480 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046053122 851360495 /nfs/dbraw/zinc/36/04/95/851360495.db2.gz RVTRAPZANGAPOI-IHRRRGAJSA-N 1 2 276.384 0.384 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046544792 851541096 /nfs/dbraw/zinc/54/10/96/851541096.db2.gz TUYKWFBKLLQJEA-LLVKDONJSA-N 1 2 284.751 0.157 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046544792 851541103 /nfs/dbraw/zinc/54/11/03/851541103.db2.gz TUYKWFBKLLQJEA-LLVKDONJSA-N 1 2 284.751 0.157 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046565900 851549297 /nfs/dbraw/zinc/54/92/97/851549297.db2.gz WQQDDAJWCQPKEH-RISCZKNCSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046565900 851549302 /nfs/dbraw/zinc/54/93/02/851549302.db2.gz WQQDDAJWCQPKEH-RISCZKNCSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001047306078 851705603 /nfs/dbraw/zinc/70/56/03/851705603.db2.gz OBVFYANZWJHHLC-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001047306078 851705609 /nfs/dbraw/zinc/70/56/09/851705609.db2.gz OBVFYANZWJHHLC-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001047311635 851708998 /nfs/dbraw/zinc/70/89/98/851708998.db2.gz IRAJBXIEHAPGRU-UWVGGRQHSA-N 1 2 282.369 0.231 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001047311635 851709003 /nfs/dbraw/zinc/70/90/03/851709003.db2.gz IRAJBXIEHAPGRU-UWVGGRQHSA-N 1 2 282.369 0.231 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C)C1 ZINC001047507652 851793042 /nfs/dbraw/zinc/79/30/42/851793042.db2.gz DCKHHFPUECCGGV-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C)C1 ZINC001047507652 851793045 /nfs/dbraw/zinc/79/30/45/851793045.db2.gz DCKHHFPUECCGGV-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C2CC2)C1 ZINC001047520509 851799021 /nfs/dbraw/zinc/79/90/21/851799021.db2.gz UQJDGQWOXDVPQI-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C2CC2)C1 ZINC001047520509 851799023 /nfs/dbraw/zinc/79/90/23/851799023.db2.gz UQJDGQWOXDVPQI-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3ccccc3n2)C1 ZINC001047618578 851835042 /nfs/dbraw/zinc/83/50/42/851835042.db2.gz HCJGALMJCRAFMY-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3ccccc3n2)C1 ZINC001047618578 851835045 /nfs/dbraw/zinc/83/50/45/851835045.db2.gz HCJGALMJCRAFMY-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnon1 ZINC001049371638 852248230 /nfs/dbraw/zinc/24/82/30/852248230.db2.gz GUWXFHUQXYAHCP-RAIGVLPGSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnon1 ZINC001049371638 852248238 /nfs/dbraw/zinc/24/82/38/852248238.db2.gz GUWXFHUQXYAHCP-RAIGVLPGSA-N 1 2 289.339 0.795 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626184 852319932 /nfs/dbraw/zinc/31/99/32/852319932.db2.gz OWOIBDLZHYADET-ZIAGYGMSSA-N 1 2 287.367 0.862 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CO[C@H](C)C1)CCO2 ZINC001053316694 852728776 /nfs/dbraw/zinc/72/87/76/852728776.db2.gz UAEXICMRLFQFPW-ZIAGYGMSSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCOC1)O2 ZINC001053581632 852766454 /nfs/dbraw/zinc/76/64/54/852766454.db2.gz SEIUCUJFNPWOLP-ZIAGYGMSSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn[nH]n1)O2 ZINC001053620843 852770504 /nfs/dbraw/zinc/77/05/04/852770504.db2.gz VNCYXIOHQAEYDI-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn[nH]n1)O2 ZINC001053620844 852770657 /nfs/dbraw/zinc/77/06/57/852770657.db2.gz VNCYXIOHQAEYDI-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn[nH]n1)O2 ZINC001053619531 852770999 /nfs/dbraw/zinc/77/09/99/852770999.db2.gz CAQBZHUETSFWLX-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn[nH]1)O2 ZINC001053619531 852771006 /nfs/dbraw/zinc/77/10/06/852771006.db2.gz CAQBZHUETSFWLX-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnccn1)CO2 ZINC001053726711 852790924 /nfs/dbraw/zinc/79/09/24/852790924.db2.gz LKWLBDXITABRNA-GFCCVEGCSA-N 1 2 286.335 0.073 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnsn1)CO2 ZINC001053748660 852802591 /nfs/dbraw/zinc/80/25/91/852802591.db2.gz CMCVLGLWWKYUKB-SNVBAGLBSA-N 1 2 292.364 0.135 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cocn1)CO2 ZINC001053757283 852809171 /nfs/dbraw/zinc/80/91/71/852809171.db2.gz RQJJLXOHVXCMFO-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ocnc1C)CO2 ZINC001053764927 852811408 /nfs/dbraw/zinc/81/14/08/852811408.db2.gz CDPIZZCRPWZNMT-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)O)C3)C2)C1 ZINC001053919615 852848022 /nfs/dbraw/zinc/84/80/22/852848022.db2.gz PNFGNLOSKHSRSR-CHWSQXEVSA-N 1 2 294.395 0.683 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccco1)CO2 ZINC001053963676 852857145 /nfs/dbraw/zinc/85/71/45/852857145.db2.gz QWVULSNXADHFDQ-CYBMUJFWSA-N 1 2 288.347 0.805 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1nccnc1C#N ZINC001097955313 852997774 /nfs/dbraw/zinc/99/77/74/852997774.db2.gz JKELYWFAPNHSJM-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NCC#N ZINC001054722120 853003030 /nfs/dbraw/zinc/00/30/30/853003030.db2.gz PPZGVKXFUXMPNC-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC001054722120 853003032 /nfs/dbraw/zinc/00/30/32/853003032.db2.gz PPZGVKXFUXMPNC-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1cncc(C#N)n1 ZINC001097975065 853059964 /nfs/dbraw/zinc/05/99/64/853059964.db2.gz HQMNSLAXJUZHLA-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001056657334 853180871 /nfs/dbraw/zinc/18/08/71/853180871.db2.gz PSUYSUHCWYHNGA-CYBMUJFWSA-N 1 2 296.334 0.863 20 30 CCEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056687814 853184425 /nfs/dbraw/zinc/18/44/25/853184425.db2.gz SCSSBYYOXWNELA-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC001051171658 853538156 /nfs/dbraw/zinc/53/81/56/853538156.db2.gz YWTLMUOOCBKWDM-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC001051171658 853538166 /nfs/dbraw/zinc/53/81/66/853538166.db2.gz YWTLMUOOCBKWDM-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001051225084 853548933 /nfs/dbraw/zinc/54/89/33/853548933.db2.gz CWUJNUPAZPFVEC-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001051225084 853548940 /nfs/dbraw/zinc/54/89/40/853548940.db2.gz CWUJNUPAZPFVEC-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001051244454 853552070 /nfs/dbraw/zinc/55/20/70/853552070.db2.gz CIAKSAPFRLBKSX-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001051244454 853552078 /nfs/dbraw/zinc/55/20/78/853552078.db2.gz CIAKSAPFRLBKSX-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051962913 853664114 /nfs/dbraw/zinc/66/41/14/853664114.db2.gz LSSUYKUNCUFNGN-OAHLLOKOSA-N 1 2 275.396 0.638 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051998650 853673327 /nfs/dbraw/zinc/67/33/27/853673327.db2.gz XDPSLWMPJDENMC-CHWSQXEVSA-N 1 2 282.363 0.334 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052060214 853679738 /nfs/dbraw/zinc/67/97/38/853679738.db2.gz ZVKKZMYFQXUBDP-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052060214 853679741 /nfs/dbraw/zinc/67/97/41/853679741.db2.gz ZVKKZMYFQXUBDP-ZDUSSCGKSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052062838 853679782 /nfs/dbraw/zinc/67/97/82/853679782.db2.gz OWKHEMZDQXRMBY-RBSFLKMASA-N 1 2 275.396 0.494 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001069890920 853994694 /nfs/dbraw/zinc/99/46/94/853994694.db2.gz VNPIWNFPHGOZCQ-KGLIPLIRSA-N 1 2 298.350 0.514 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001069890920 853994695 /nfs/dbraw/zinc/99/46/95/853994695.db2.gz VNPIWNFPHGOZCQ-KGLIPLIRSA-N 1 2 298.350 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](n2ccnn2)C1 ZINC001070017981 854017612 /nfs/dbraw/zinc/01/76/12/854017612.db2.gz LXCMJQCWFVVRSG-KGLIPLIRSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](n2ccnn2)C1 ZINC001070017981 854017618 /nfs/dbraw/zinc/01/76/18/854017618.db2.gz LXCMJQCWFVVRSG-KGLIPLIRSA-N 1 2 299.378 0.609 20 30 CCEDLO CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070615520 854082910 /nfs/dbraw/zinc/08/29/10/854082910.db2.gz BYYGJONSUASCHH-CHWSQXEVSA-N 1 2 289.383 0.874 20 30 CCEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CSC)CC1 ZINC001070937047 854104604 /nfs/dbraw/zinc/10/46/04/854104604.db2.gz IIOZHBMGORXRGI-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CSC)CC1 ZINC001070937047 854104609 /nfs/dbraw/zinc/10/46/09/854104609.db2.gz IIOZHBMGORXRGI-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001071778327 854287956 /nfs/dbraw/zinc/28/79/56/854287956.db2.gz SHDWPBSVJQMBIP-CHWSQXEVSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001072551881 854414488 /nfs/dbraw/zinc/41/44/88/854414488.db2.gz KFBRHGPBTYUSOY-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001072551881 854414492 /nfs/dbraw/zinc/41/44/92/854414492.db2.gz KFBRHGPBTYUSOY-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO CC(C)(C(=O)N1CC2(C1)CCN(CC#N)C2)c1c[nH+]c[nH]1 ZINC001073128190 854536121 /nfs/dbraw/zinc/53/61/21/854536121.db2.gz VBEPUMXFCWJGQW-UHFFFAOYSA-N 1 2 287.367 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074118343 854673384 /nfs/dbraw/zinc/67/33/84/854673384.db2.gz GSARPPBZQHUPPO-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074118343 854673391 /nfs/dbraw/zinc/67/33/91/854673391.db2.gz GSARPPBZQHUPPO-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC001074180743 854687717 /nfs/dbraw/zinc/68/77/17/854687717.db2.gz HRNWAOWWUVTVOV-UONOGXRCSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC001074180743 854687731 /nfs/dbraw/zinc/68/77/31/854687731.db2.gz HRNWAOWWUVTVOV-UONOGXRCSA-N 1 2 288.351 0.348 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001074362364 854715254 /nfs/dbraw/zinc/71/52/54/854715254.db2.gz CNDLTRNMJZQWOG-QWHCGFSZSA-N 1 2 292.339 0.561 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001074362364 854715258 /nfs/dbraw/zinc/71/52/58/854715258.db2.gz CNDLTRNMJZQWOG-QWHCGFSZSA-N 1 2 292.339 0.561 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001099743334 854983266 /nfs/dbraw/zinc/98/32/66/854983266.db2.gz HZACVGQALYQOFD-NEPJUHHUSA-N 1 2 280.368 0.176 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001099743334 854983269 /nfs/dbraw/zinc/98/32/69/854983269.db2.gz HZACVGQALYQOFD-NEPJUHHUSA-N 1 2 280.368 0.176 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099828967 855006638 /nfs/dbraw/zinc/00/66/38/855006638.db2.gz BHBNQNNZYLZHMR-VXGBXAGGSA-N 1 2 270.348 0.557 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099828967 855006640 /nfs/dbraw/zinc/00/66/40/855006640.db2.gz BHBNQNNZYLZHMR-VXGBXAGGSA-N 1 2 270.348 0.557 20 30 CCEDLO CCc1nc(C[NH2+]C2CC(CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001100190227 855114521 /nfs/dbraw/zinc/11/45/21/855114521.db2.gz NNMWQEKMQNMFOC-WHXUTIOJSA-N 1 2 291.355 0.776 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1cncc(C#N)n1 ZINC001100735494 855216105 /nfs/dbraw/zinc/21/61/05/855216105.db2.gz JKNZURJSEKMHRZ-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100946714 855244462 /nfs/dbraw/zinc/24/44/62/855244462.db2.gz YHQCFYPLTDKRJL-ZDUSSCGKSA-N 1 2 290.367 0.930 20 30 CCEDLO Cc1cc(C#N)nc(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001101975628 855402876 /nfs/dbraw/zinc/40/28/76/855402876.db2.gz KQDBBXQPODGCPV-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111667150 855586809 /nfs/dbraw/zinc/58/68/09/855586809.db2.gz VWHRYXNQRNYJCI-MJVIPROJSA-N 1 2 289.339 0.700 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111667150 855586813 /nfs/dbraw/zinc/58/68/13/855586813.db2.gz VWHRYXNQRNYJCI-MJVIPROJSA-N 1 2 289.339 0.700 20 30 CCEDLO C[C@H](C(=O)N1CCSC[C@H]1C#N)n1cc[nH+]c1 ZINC001116484591 855773789 /nfs/dbraw/zinc/77/37/89/855773789.db2.gz ZPMHROSQXCFYGL-NXEZZACHSA-N 1 2 250.327 0.912 20 30 CCEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1=S ZINC001117488926 855997713 /nfs/dbraw/zinc/99/77/13/855997713.db2.gz HDWNOVMOGNBPGS-JTQLQIEISA-N 1 2 281.385 0.755 20 30 CCEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1=S ZINC001117488926 855997718 /nfs/dbraw/zinc/99/77/18/855997718.db2.gz HDWNOVMOGNBPGS-JTQLQIEISA-N 1 2 281.385 0.755 20 30 CCEDLO C#CC[N@H+](CC1CC1)[C@@H](CCC(=O)OC)C(=O)OC ZINC001118495901 856315429 /nfs/dbraw/zinc/31/54/29/856315429.db2.gz GULODQGDZPKVDW-LBPRGKRZSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CC[N@@H+](CC1CC1)[C@@H](CCC(=O)OC)C(=O)OC ZINC001118495901 856315435 /nfs/dbraw/zinc/31/54/35/856315435.db2.gz GULODQGDZPKVDW-LBPRGKRZSA-N 1 2 267.325 0.826 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCCN(C=O)CC3)cnc12 ZINC001118674718 856388871 /nfs/dbraw/zinc/38/88/71/856388871.db2.gz DTAJTMUAGIPJLH-UHFFFAOYSA-N 1 2 284.323 0.265 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCCN(C=O)CC3)cnc12 ZINC001118674718 856388877 /nfs/dbraw/zinc/38/88/77/856388877.db2.gz DTAJTMUAGIPJLH-UHFFFAOYSA-N 1 2 284.323 0.265 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001119675946 856831557 /nfs/dbraw/zinc/83/15/57/856831557.db2.gz AWOOVPPAVCIYRY-QWHCGFSZSA-N 1 2 288.351 0.402 20 30 CCEDLO C=C(C)Cn1nnnc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001119719409 856853336 /nfs/dbraw/zinc/85/33/36/856853336.db2.gz QKMUEVMHGNLNGY-QWHCGFSZSA-N 1 2 292.387 0.549 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001323302999 912258302 /nfs/dbraw/zinc/25/83/02/912258302.db2.gz QOFKPHWFHSQXLJ-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001323302999 912258311 /nfs/dbraw/zinc/25/83/11/912258311.db2.gz QOFKPHWFHSQXLJ-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001392967913 912290117 /nfs/dbraw/zinc/29/01/17/912290117.db2.gz KTNUKWBBOVYATB-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](CCc2ccccc2)C1 ZINC001393307744 912505699 /nfs/dbraw/zinc/50/56/99/912505699.db2.gz YVSWBOISWRYVBY-CYBMUJFWSA-N 1 2 287.363 0.552 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001323773174 912514200 /nfs/dbraw/zinc/51/42/00/912514200.db2.gz YMLZJNRIZDGLJK-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001323773174 912514216 /nfs/dbraw/zinc/51/42/16/912514216.db2.gz YMLZJNRIZDGLJK-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCn1cnnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC001323800103 912526788 /nfs/dbraw/zinc/52/67/88/912526788.db2.gz GCWVKCXIUQPXPA-UHFFFAOYSA-N 1 2 267.314 0.172 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COCc2cc(C)on2)C1 ZINC001323946833 912595156 /nfs/dbraw/zinc/59/51/56/912595156.db2.gz SDUUKPSFQOYCSW-UHFFFAOYSA-N 1 2 279.340 0.828 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001325069935 913186423 /nfs/dbraw/zinc/18/64/23/913186423.db2.gz KEGIZWUCWAUHCS-OAHLLOKOSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccn(C)n2)C1 ZINC001325069935 913186432 /nfs/dbraw/zinc/18/64/32/913186432.db2.gz KEGIZWUCWAUHCS-OAHLLOKOSA-N 1 2 292.383 0.439 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccc(C)n2)C1 ZINC001325174470 913259010 /nfs/dbraw/zinc/25/90/10/913259010.db2.gz TUFRHPHVCFMZRS-UHFFFAOYSA-N 1 2 273.336 0.190 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COc2ccccc2)C1 ZINC001325311216 913334654 /nfs/dbraw/zinc/33/46/54/913334654.db2.gz DDHNFGKZBKTPQE-UHFFFAOYSA-N 1 2 290.363 0.804 20 30 CCEDLO C=CCCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001325820405 913589611 /nfs/dbraw/zinc/58/96/11/913589611.db2.gz RVZSBINHVXGECA-ZDUSSCGKSA-N 1 2 258.337 0.865 20 30 CCEDLO C=CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001325820405 913589618 /nfs/dbraw/zinc/58/96/18/913589618.db2.gz RVZSBINHVXGECA-ZDUSSCGKSA-N 1 2 258.337 0.865 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001009204944 892579488 /nfs/dbraw/zinc/57/94/88/892579488.db2.gz RRYAJHPCYKKTER-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001009204944 892579496 /nfs/dbraw/zinc/57/94/96/892579496.db2.gz RRYAJHPCYKKTER-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001009204944 892579509 /nfs/dbraw/zinc/57/95/09/892579509.db2.gz RRYAJHPCYKKTER-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001009204944 892579516 /nfs/dbraw/zinc/57/95/16/892579516.db2.gz RRYAJHPCYKKTER-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CSCC#N)C1 ZINC001481531913 892778013 /nfs/dbraw/zinc/77/80/13/892778013.db2.gz RIJKOSCTGLEBOG-WDEREUQCSA-N 1 2 298.412 0.088 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CSCC#N)C1 ZINC001481531913 892778025 /nfs/dbraw/zinc/77/80/25/892778025.db2.gz RIJKOSCTGLEBOG-WDEREUQCSA-N 1 2 298.412 0.088 20 30 CCEDLO C[C@@H](O)CCC[NH+]1CC(NC(=O)CSCC#N)C1 ZINC001481544452 892794790 /nfs/dbraw/zinc/79/47/90/892794790.db2.gz MYPJYHMRJTUTSG-SNVBAGLBSA-N 1 2 271.386 0.205 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@@H]2CCOC2)C1 ZINC001481551176 892817406 /nfs/dbraw/zinc/81/74/06/892817406.db2.gz YWZPEEYRZVCLOH-LBPRGKRZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC001343692288 892955357 /nfs/dbraw/zinc/95/53/57/892955357.db2.gz UVGRTSHBHCURJD-LLVKDONJSA-N 1 2 267.329 0.205 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001496459931 892969577 /nfs/dbraw/zinc/96/95/77/892969577.db2.gz MQKRKRZEEKOEQW-RYUDHWBXSA-N 1 2 292.383 0.985 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)COC ZINC001481680403 892989164 /nfs/dbraw/zinc/98/91/64/892989164.db2.gz YCNGVDDYPCXTJI-AGIUHOORSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)COC ZINC001481680403 892989175 /nfs/dbraw/zinc/98/91/75/892989175.db2.gz YCNGVDDYPCXTJI-AGIUHOORSA-N 1 2 250.342 0.577 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001481701196 893041664 /nfs/dbraw/zinc/04/16/64/893041664.db2.gz ALHHPDJFKXKWEV-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001481701196 893041686 /nfs/dbraw/zinc/04/16/86/893041686.db2.gz ALHHPDJFKXKWEV-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001481704584 893047694 /nfs/dbraw/zinc/04/76/94/893047694.db2.gz VDADWADEWODXPF-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001481704584 893047708 /nfs/dbraw/zinc/04/77/08/893047708.db2.gz VDADWADEWODXPF-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1cnsn1 ZINC001482924544 894701324 /nfs/dbraw/zinc/70/13/24/894701324.db2.gz QGNFXFKNYNFTPP-NSHDSACASA-N 1 2 296.396 0.515 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\C[NH2+]Cc1nnc(C2CC2)o1 ZINC001482992814 894782369 /nfs/dbraw/zinc/78/23/69/894782369.db2.gz ZETIXNJZBYHGMJ-ZMWSMAPVSA-N 1 2 289.339 0.869 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1nocc1C ZINC001483008147 894799289 /nfs/dbraw/zinc/79/92/89/894799289.db2.gz SWQYASSEEXWZJG-SZZPACECSA-N 1 2 291.351 0.783 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)Cc1nnc[nH]1 ZINC001483081486 894886935 /nfs/dbraw/zinc/88/69/35/894886935.db2.gz ZMYRNHVIZLLABQ-NSCUHMNNSA-N 1 2 269.736 0.362 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C[NH2+]Cc1nn(C)cc1Cl ZINC001483215925 895122737 /nfs/dbraw/zinc/12/27/37/895122737.db2.gz VKEBPTZSERNCBR-IUCAKERBSA-N 1 2 283.763 0.827 20 30 CCEDLO C=CC[NH2+]C[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001483228039 895143816 /nfs/dbraw/zinc/14/38/16/895143816.db2.gz FGGDVSULNIYNFJ-VIFPVBQESA-N 1 2 259.313 0.852 20 30 CCEDLO CN(CCCNCC#N)C(=O)CCCn1cc[nH+]c1 ZINC001483512767 895623182 /nfs/dbraw/zinc/62/31/82/895623182.db2.gz FHUTXSCCKZZWOX-UHFFFAOYSA-N 1 2 263.345 0.625 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001409832297 895727960 /nfs/dbraw/zinc/72/79/60/895727960.db2.gz FZGNYHCPRGEXFJ-WDEREUQCSA-N 1 2 292.383 0.109 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC001483655653 895804163 /nfs/dbraw/zinc/80/41/63/895804163.db2.gz RDSHXIDLYDYYOS-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC001483655653 895804173 /nfs/dbraw/zinc/80/41/73/895804173.db2.gz RDSHXIDLYDYYOS-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO Cc1cnc(C[NH2+]C2(CNC(=O)C#CC3CC3)CC2)nc1 ZINC001483733293 895937944 /nfs/dbraw/zinc/93/79/44/895937944.db2.gz WYZBBVJWESPVSG-UHFFFAOYSA-N 1 2 284.363 0.937 20 30 CCEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001483760047 896021426 /nfs/dbraw/zinc/02/14/26/896021426.db2.gz HXUBTVARZZVVKE-UHFFFAOYSA-N 1 2 289.383 0.747 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C1C[NH+](CCOCC=C)C1 ZINC001483865789 896086086 /nfs/dbraw/zinc/08/60/86/896086086.db2.gz YMXGPGOLEJRNFX-CYBMUJFWSA-N 1 2 280.368 0.370 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)on1 ZINC001484038411 896165463 /nfs/dbraw/zinc/16/54/63/896165463.db2.gz VIOUEBLXARZTBS-YGRLFVJLSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)on1 ZINC001484038411 896165474 /nfs/dbraw/zinc/16/54/74/896165474.db2.gz VIOUEBLXARZTBS-YGRLFVJLSA-N 1 2 292.339 0.923 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001484269704 896307302 /nfs/dbraw/zinc/30/73/02/896307302.db2.gz DRDBLRQTHIGNJK-WCQYABFASA-N 1 2 288.363 0.225 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001484271080 896307497 /nfs/dbraw/zinc/30/74/97/896307497.db2.gz DJDLXMSRCPCEDI-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(=O)NCC)CCO2 ZINC001484774907 896595188 /nfs/dbraw/zinc/59/51/88/896595188.db2.gz VUXGWMAWDZDQNB-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCCOCC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001484778468 896598628 /nfs/dbraw/zinc/59/86/28/896598628.db2.gz OUYZEKGOCKKSQB-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)SC)C1 ZINC001485491203 897078210 /nfs/dbraw/zinc/07/82/10/897078210.db2.gz QJEKNPNXUIOXJY-GHMZBOCLSA-N 1 2 299.440 0.477 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@]2(C1)C[N@H+](CC=C)CCO2 ZINC001485555280 897115221 /nfs/dbraw/zinc/11/52/21/897115221.db2.gz BJUXFQJTGGWTSS-INIZCTEOSA-N 1 2 292.379 0.516 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CC=C)CCO2 ZINC001485555280 897115229 /nfs/dbraw/zinc/11/52/29/897115229.db2.gz BJUXFQJTGGWTSS-INIZCTEOSA-N 1 2 292.379 0.516 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001124778106 897281229 /nfs/dbraw/zinc/28/12/29/897281229.db2.gz LKPLLLMNKAGTDK-JTQLQIEISA-N 1 2 294.355 0.916 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869943 897401288 /nfs/dbraw/zinc/40/12/88/897401288.db2.gz KVUFNZYTNCRUFV-GDBMZVCRSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869943 897401298 /nfs/dbraw/zinc/40/12/98/897401298.db2.gz KVUFNZYTNCRUFV-GDBMZVCRSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001107882707 897429829 /nfs/dbraw/zinc/42/98/29/897429829.db2.gz AGAOQRPXFXPTPI-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001107882707 897429840 /nfs/dbraw/zinc/42/98/40/897429840.db2.gz AGAOQRPXFXPTPI-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC)CC2 ZINC001127918683 897482882 /nfs/dbraw/zinc/48/28/82/897482882.db2.gz RGVZVZKXVFAURT-LBPRGKRZSA-N 1 2 289.383 0.622 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929375 897511564 /nfs/dbraw/zinc/51/15/64/897511564.db2.gz QWEUEMFZHYQBNJ-AWEZNQCLSA-N 1 2 276.340 0.254 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929375 897511573 /nfs/dbraw/zinc/51/15/73/897511573.db2.gz QWEUEMFZHYQBNJ-AWEZNQCLSA-N 1 2 276.340 0.254 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2nc[nH]c21 ZINC001032413733 897515707 /nfs/dbraw/zinc/51/57/07/897515707.db2.gz ZFAPWYCYADNFIB-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2nc[nH]c21 ZINC001032413733 897515715 /nfs/dbraw/zinc/51/57/15/897515715.db2.gz ZFAPWYCYADNFIB-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107940053 897528188 /nfs/dbraw/zinc/52/81/88/897528188.db2.gz DPKZVYLLNQEZGV-LLVKDONJSA-N 1 2 276.340 0.742 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001032475822 897620775 /nfs/dbraw/zinc/62/07/75/897620775.db2.gz LGZMUEDJVLOHNN-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001032475822 897620780 /nfs/dbraw/zinc/62/07/80/897620780.db2.gz LGZMUEDJVLOHNN-IHRRRGAJSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCC2)[C@H](OC)C1 ZINC001212379502 897761193 /nfs/dbraw/zinc/76/11/93/897761193.db2.gz ALMJZTSWJKBHAV-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCCC2)[C@H](OC)C1 ZINC001212379502 897761201 /nfs/dbraw/zinc/76/12/01/897761201.db2.gz ALMJZTSWJKBHAV-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CCOC1 ZINC001032587683 897782229 /nfs/dbraw/zinc/78/22/29/897782229.db2.gz PPVHKMKPZHFJSK-GMXVVIOVSA-N 1 2 254.305 0.586 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CCOC1 ZINC001032587683 897782239 /nfs/dbraw/zinc/78/22/39/897782239.db2.gz PPVHKMKPZHFJSK-GMXVVIOVSA-N 1 2 254.305 0.586 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CCOC1 ZINC001032588306 897782871 /nfs/dbraw/zinc/78/28/71/897782871.db2.gz OLRDLLJGNBPWEX-SGMGOOAPSA-N 1 2 266.316 0.423 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CCOC1 ZINC001032588306 897782880 /nfs/dbraw/zinc/78/28/80/897782880.db2.gz OLRDLLJGNBPWEX-SGMGOOAPSA-N 1 2 266.316 0.423 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001032591612 897787847 /nfs/dbraw/zinc/78/78/47/897787847.db2.gz BVEGOEUWCRVYOE-AVGNSLFASA-N 1 2 299.378 0.533 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001032591612 897787857 /nfs/dbraw/zinc/78/78/57/897787857.db2.gz BVEGOEUWCRVYOE-AVGNSLFASA-N 1 2 299.378 0.533 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CCC1 ZINC001212393457 897825382 /nfs/dbraw/zinc/82/53/82/897825382.db2.gz NWZINJNOAKMOAS-CHWSQXEVSA-N 1 2 282.359 0.965 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CCC1 ZINC001212393457 897825392 /nfs/dbraw/zinc/82/53/92/897825392.db2.gz NWZINJNOAKMOAS-CHWSQXEVSA-N 1 2 282.359 0.965 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](O)C1 ZINC001083794547 897952769 /nfs/dbraw/zinc/95/27/69/897952769.db2.gz ZYDHQCPOTIERSJ-LPWJVIDDSA-N 1 2 274.320 0.178 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](O)C1 ZINC001083794547 897952782 /nfs/dbraw/zinc/95/27/82/897952782.db2.gz ZYDHQCPOTIERSJ-LPWJVIDDSA-N 1 2 274.320 0.178 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001077882911 897996608 /nfs/dbraw/zinc/99/66/08/897996608.db2.gz WCTJXXPFPZVKOV-VXGBXAGGSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001077882911 897996617 /nfs/dbraw/zinc/99/66/17/897996617.db2.gz WCTJXXPFPZVKOV-VXGBXAGGSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)cn1 ZINC001032735993 898040062 /nfs/dbraw/zinc/04/00/62/898040062.db2.gz RLNDBPXCXUVWQR-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)cn1 ZINC001032735993 898040075 /nfs/dbraw/zinc/04/00/75/898040075.db2.gz RLNDBPXCXUVWQR-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001272841901 898071544 /nfs/dbraw/zinc/07/15/44/898071544.db2.gz AIDYNYYYEOYJFM-OLZOCXBDSA-N 1 2 283.372 0.390 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001272841901 898071555 /nfs/dbraw/zinc/07/15/55/898071555.db2.gz AIDYNYYYEOYJFM-OLZOCXBDSA-N 1 2 283.372 0.390 20 30 CCEDLO N#CCS(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715681838 898167235 /nfs/dbraw/zinc/16/72/35/898167235.db2.gz PSILFHIEOOGTMJ-ZDUSSCGKSA-N 1 2 279.365 0.704 20 30 CCEDLO N#CCS(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000715681838 898167237 /nfs/dbraw/zinc/16/72/37/898167237.db2.gz PSILFHIEOOGTMJ-ZDUSSCGKSA-N 1 2 279.365 0.704 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001078262537 898326812 /nfs/dbraw/zinc/32/68/12/898326812.db2.gz QCAYVISCPLXZLV-HZPDHXFCSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001078262537 898326822 /nfs/dbraw/zinc/32/68/22/898326822.db2.gz QCAYVISCPLXZLV-HZPDHXFCSA-N 1 2 284.359 0.583 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001485967825 898538304 /nfs/dbraw/zinc/53/83/04/898538304.db2.gz XGFANKUTYVQMBM-AWEZNQCLSA-N 1 2 291.326 0.674 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001486000229 898563472 /nfs/dbraw/zinc/56/34/72/898563472.db2.gz NODQRCPZRYBRCM-CMPLNLGQSA-N 1 2 295.387 0.597 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)n2cc[nH+]c2)C1=O ZINC001327013681 914313323 /nfs/dbraw/zinc/31/33/23/914313323.db2.gz URZVCNBZOULWNM-NWDGAFQWSA-N 1 2 276.340 0.689 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CCC1 ZINC001488645529 900326087 /nfs/dbraw/zinc/32/60/87/900326087.db2.gz RKOINCIQXDZQSP-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CCC1 ZINC001488645529 900326096 /nfs/dbraw/zinc/32/60/96/900326096.db2.gz RKOINCIQXDZQSP-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001489983032 900537373 /nfs/dbraw/zinc/53/73/73/900537373.db2.gz ZMUYTFAPEUHMOE-GFCCVEGCSA-N 1 2 276.340 0.872 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001490188170 900564182 /nfs/dbraw/zinc/56/41/82/900564182.db2.gz VKKNAZMGTFMMNR-CQSZACIVSA-N 1 2 295.387 0.378 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001490188170 900564192 /nfs/dbraw/zinc/56/41/92/900564192.db2.gz VKKNAZMGTFMMNR-CQSZACIVSA-N 1 2 295.387 0.378 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)COC)CCO2 ZINC001327315489 914476478 /nfs/dbraw/zinc/47/64/78/914476478.db2.gz UUPXTZKXYHXKIM-CYBMUJFWSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001318055602 900793993 /nfs/dbraw/zinc/79/39/93/900793993.db2.gz DSCNMDAFQGTXOO-WCQYABFASA-N 1 2 270.373 0.396 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001320043008 900913261 /nfs/dbraw/zinc/91/32/61/900913261.db2.gz PGQFOYSYKWBBCM-OAHLLOKOSA-N 1 2 294.399 0.619 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001320043008 900913271 /nfs/dbraw/zinc/91/32/71/900913271.db2.gz PGQFOYSYKWBBCM-OAHLLOKOSA-N 1 2 294.399 0.619 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC1)CO2 ZINC001327374283 914503953 /nfs/dbraw/zinc/50/39/53/914503953.db2.gz ZXCBNJIVPLWUJI-ZDUSSCGKSA-N 1 2 280.368 0.559 20 30 CCEDLO CN(CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)C#CC1CC1 ZINC001298067366 902027104 /nfs/dbraw/zinc/02/71/04/902027104.db2.gz IJYRYRBMXUZJJP-UHFFFAOYSA-N 1 2 288.351 0.282 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038689378 902652653 /nfs/dbraw/zinc/65/26/53/902652653.db2.gz AVEHHHJQNPVEOP-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038689378 902652661 /nfs/dbraw/zinc/65/26/61/902652661.db2.gz AVEHHHJQNPVEOP-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001490882969 902697276 /nfs/dbraw/zinc/69/72/76/902697276.db2.gz IHOYBPWLWQMGSS-HAQNSBGRSA-N 1 2 290.371 0.141 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001491202611 903443487 /nfs/dbraw/zinc/44/34/87/903443487.db2.gz YVXUSQJECTXZCB-STQMWFEESA-N 1 2 297.399 0.424 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001491202611 903443494 /nfs/dbraw/zinc/44/34/94/903443494.db2.gz YVXUSQJECTXZCB-STQMWFEESA-N 1 2 297.399 0.424 20 30 CCEDLO C#CCOCCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001327725565 914730498 /nfs/dbraw/zinc/73/04/98/914730498.db2.gz NRUNOZNDBDPAMS-UHFFFAOYSA-N 1 2 289.335 0.081 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001316602401 904115194 /nfs/dbraw/zinc/11/51/94/904115194.db2.gz IAOXICNWLNWAPV-UONOGXRCSA-N 1 2 276.380 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001316602401 904115202 /nfs/dbraw/zinc/11/52/02/904115202.db2.gz IAOXICNWLNWAPV-UONOGXRCSA-N 1 2 276.380 0.969 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001282506205 904496634 /nfs/dbraw/zinc/49/66/34/904496634.db2.gz VKWZPUGRFHAYAN-QWHCGFSZSA-N 1 2 282.384 0.398 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)CSC)C1 ZINC001282510229 904498459 /nfs/dbraw/zinc/49/84/59/904498459.db2.gz PXZOTIVNELLYGC-LBPRGKRZSA-N 1 2 284.425 0.562 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)CC)C1 ZINC001282690173 904520640 /nfs/dbraw/zinc/52/06/40/904520640.db2.gz QMTBOYLBRYISEE-NEPJUHHUSA-N 1 2 281.400 0.771 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283634091 904942785 /nfs/dbraw/zinc/94/27/85/904942785.db2.gz WDTWQAFLJAAUFG-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001283640673 904943098 /nfs/dbraw/zinc/94/30/98/904943098.db2.gz FAQVKPGNMCXYIJ-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)NCC#N ZINC001283647622 904947264 /nfs/dbraw/zinc/94/72/64/904947264.db2.gz CJUWPRNUCFQQTC-LLVKDONJSA-N 1 2 263.345 0.313 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001283793062 905018513 /nfs/dbraw/zinc/01/85/13/905018513.db2.gz RSGFIMFKARJQQM-LBPRGKRZSA-N 1 2 294.355 0.138 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001377839433 905180822 /nfs/dbraw/zinc/18/08/22/905180822.db2.gz CJHADJHTQWGCPC-OLZOCXBDSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001377839433 905180831 /nfs/dbraw/zinc/18/08/31/905180831.db2.gz CJHADJHTQWGCPC-OLZOCXBDSA-N 1 2 294.399 0.593 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cnn(C)c2)C1 ZINC001377958514 905277004 /nfs/dbraw/zinc/27/70/04/905277004.db2.gz BUXBFDLIBNHVIX-UHFFFAOYSA-N 1 2 282.775 0.763 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CC)c1C ZINC001336980748 921138880 /nfs/dbraw/zinc/13/88/80/921138880.db2.gz HSCJKPVKIFSFTF-JTQLQIEISA-N 1 2 280.328 0.597 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284940825 905499856 /nfs/dbraw/zinc/49/98/56/905499856.db2.gz JATVFGBWXAEKJM-HNNXBMFYSA-N 1 2 290.367 0.882 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001285656464 905706896 /nfs/dbraw/zinc/70/68/96/905706896.db2.gz ZCSFBROZHQFQKE-GFCCVEGCSA-N 1 2 290.367 0.719 20 30 CCEDLO C#CCSCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295427837 906725864 /nfs/dbraw/zinc/72/58/64/906725864.db2.gz DXQDRTSLCWQJKR-GFCCVEGCSA-N 1 2 296.392 0.249 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@](O)(CNC(=O)CC)C1 ZINC001380516165 906795386 /nfs/dbraw/zinc/79/53/86/906795386.db2.gz BXJONEGUHMLFFE-NSHDSACASA-N 1 2 291.189 0.858 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@](O)(CNC(=O)CC)C1 ZINC001380516165 906795398 /nfs/dbraw/zinc/79/53/98/906795398.db2.gz BXJONEGUHMLFFE-NSHDSACASA-N 1 2 291.189 0.858 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001381084316 907067107 /nfs/dbraw/zinc/06/71/07/907067107.db2.gz SPDBLGRMLFMBCT-NEPJUHHUSA-N 1 2 288.355 0.069 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001298231528 907191349 /nfs/dbraw/zinc/19/13/49/907191349.db2.gz KPNFZMIWUJIFLS-LBPRGKRZSA-N 1 2 252.277 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001298485053 907248365 /nfs/dbraw/zinc/24/83/65/907248365.db2.gz HCHJDYYQABMTHL-ZZKXABKFSA-N 1 2 289.339 0.221 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001382056148 907518492 /nfs/dbraw/zinc/51/84/92/907518492.db2.gz JFNZROLQADGWEE-ZJUUUORDSA-N 1 2 294.359 0.232 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNCC#N)C1 ZINC001491851588 907604855 /nfs/dbraw/zinc/60/48/55/907604855.db2.gz KYGJGQXRFXYZEG-LLVKDONJSA-N 1 2 261.329 0.222 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382188792 907606463 /nfs/dbraw/zinc/60/64/63/907606463.db2.gz JLDSMZQIQFRBCI-NXEZZACHSA-N 1 2 277.328 0.075 20 30 CCEDLO C[N@H+](CCNC(=O)c1nnc[nH]1)Cc1ccc(C#N)s1 ZINC001492461120 907931045 /nfs/dbraw/zinc/93/10/45/907931045.db2.gz WJQBAABBFMVCPH-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C[N@@H+](CCNC(=O)c1nnc[nH]1)Cc1ccc(C#N)s1 ZINC001492461120 907931063 /nfs/dbraw/zinc/93/10/63/907931063.db2.gz WJQBAABBFMVCPH-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC001308063298 908377060 /nfs/dbraw/zinc/37/70/60/908377060.db2.gz DPWCRQTXQMMXOS-VIFPVBQESA-N 1 2 254.290 0.417 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC001308063298 908377072 /nfs/dbraw/zinc/37/70/72/908377072.db2.gz DPWCRQTXQMMXOS-VIFPVBQESA-N 1 2 254.290 0.417 20 30 CCEDLO C#CCCOC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001309864283 908476152 /nfs/dbraw/zinc/47/61/52/908476152.db2.gz SLOAIGVGRKUVGB-UHFFFAOYSA-N 1 2 281.356 0.242 20 30 CCEDLO C#CCCOC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001309864283 908476162 /nfs/dbraw/zinc/47/61/62/908476162.db2.gz SLOAIGVGRKUVGB-UHFFFAOYSA-N 1 2 281.356 0.242 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCc1ccc[nH+]c1N ZINC001313097070 908652470 /nfs/dbraw/zinc/65/24/70/908652470.db2.gz JGTAEIKGUIPCBY-LLVKDONJSA-N 1 2 262.313 0.501 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001386564679 908780687 /nfs/dbraw/zinc/78/06/87/908780687.db2.gz OJVVYVGFEXLPHF-VXGBXAGGSA-N 1 2 289.339 0.007 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001316968250 908880135 /nfs/dbraw/zinc/88/01/35/908880135.db2.gz CBSSKBRVPRWEJK-LLVKDONJSA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001316968250 908880152 /nfs/dbraw/zinc/88/01/52/908880152.db2.gz CBSSKBRVPRWEJK-LLVKDONJSA-N 1 2 292.339 0.089 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001317229447 909064223 /nfs/dbraw/zinc/06/42/23/909064223.db2.gz OHYCWHHJYXLBDH-HTQZYQBOSA-N 1 2 253.331 0.292 20 30 CCEDLO C[N@H+](CCNC(=O)C1CC2(CCC2)C1)CC(=O)NCC#N ZINC001317457226 909232605 /nfs/dbraw/zinc/23/26/05/909232605.db2.gz OWDRRKYSNOONQQ-UHFFFAOYSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)C1CC2(CCC2)C1)CC(=O)NCC#N ZINC001317457226 909232617 /nfs/dbraw/zinc/23/26/17/909232617.db2.gz OWDRRKYSNOONQQ-UHFFFAOYSA-N 1 2 292.383 0.254 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001317498359 909267106 /nfs/dbraw/zinc/26/71/06/909267106.db2.gz RGHWJIPYBMDVMG-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001317498359 909267122 /nfs/dbraw/zinc/26/71/22/909267122.db2.gz RGHWJIPYBMDVMG-RYUDHWBXSA-N 1 2 283.372 0.034 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001317524039 909290569 /nfs/dbraw/zinc/29/05/69/909290569.db2.gz XGXJPDMPDYDJRX-ZDUSSCGKSA-N 1 2 290.367 0.976 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001317524039 909290585 /nfs/dbraw/zinc/29/05/85/909290585.db2.gz XGXJPDMPDYDJRX-ZDUSSCGKSA-N 1 2 290.367 0.976 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CCOC2)CC1 ZINC001317816521 909511901 /nfs/dbraw/zinc/51/19/01/909511901.db2.gz IAYRYEKNUMIJTP-OAHLLOKOSA-N 1 2 293.411 0.122 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001317936347 909544921 /nfs/dbraw/zinc/54/49/21/909544921.db2.gz RFKSXPFPQUHRLJ-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001317936347 909544931 /nfs/dbraw/zinc/54/49/31/909544931.db2.gz RFKSXPFPQUHRLJ-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CC(C)(C)C=C)C1 ZINC001318126632 909634940 /nfs/dbraw/zinc/63/49/40/909634940.db2.gz HSDBLNJCDIBGFG-UHFFFAOYSA-N 1 2 293.411 0.939 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001318159663 909647862 /nfs/dbraw/zinc/64/78/62/909647862.db2.gz VSFWZJPIDDHEEI-GFCCVEGCSA-N 1 2 279.384 0.525 20 30 CCEDLO CCON(CC)C(=O)C[NH2+]C[C@H](C#N)CCC#N ZINC001338567712 921513132 /nfs/dbraw/zinc/51/31/32/921513132.db2.gz PXJMGVCFHKTHML-NSHDSACASA-N 1 2 252.318 0.820 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCCOC)C1 ZINC001318292390 909691895 /nfs/dbraw/zinc/69/18/95/909691895.db2.gz KOAHBLAMECXFKP-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCCOC)C1 ZINC001318292390 909691907 /nfs/dbraw/zinc/69/19/07/909691907.db2.gz KOAHBLAMECXFKP-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001318376918 909728890 /nfs/dbraw/zinc/72/88/90/909728890.db2.gz VWZQSDUKIDPTPZ-UWVGGRQHSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001318376918 909728906 /nfs/dbraw/zinc/72/89/06/909728906.db2.gz VWZQSDUKIDPTPZ-UWVGGRQHSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001318376919 909729979 /nfs/dbraw/zinc/72/99/79/909729979.db2.gz VWZQSDUKIDPTPZ-VHSXEESVSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001318376919 909729987 /nfs/dbraw/zinc/72/99/87/909729987.db2.gz VWZQSDUKIDPTPZ-VHSXEESVSA-N 1 2 289.326 0.475 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1csnn1 ZINC001318506468 909786219 /nfs/dbraw/zinc/78/62/19/909786219.db2.gz KGEJJNNHHREVHI-DTWKUNHWSA-N 1 2 267.358 0.682 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)n2cccn2)C1 ZINC001319295001 910076268 /nfs/dbraw/zinc/07/62/68/910076268.db2.gz IHVJMJDLIKWFGE-QWHCGFSZSA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)n2cccn2)C1 ZINC001319295001 910076282 /nfs/dbraw/zinc/07/62/82/910076282.db2.gz IHVJMJDLIKWFGE-QWHCGFSZSA-N 1 2 278.356 0.447 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(C)(C)C ZINC001319976056 910385468 /nfs/dbraw/zinc/38/54/68/910385468.db2.gz FMCHOOZSPJUBBV-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(C)(C)C ZINC001319976056 910385488 /nfs/dbraw/zinc/38/54/88/910385488.db2.gz FMCHOOZSPJUBBV-UHFFFAOYSA-N 1 2 281.400 0.562 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001320325190 910610407 /nfs/dbraw/zinc/61/04/07/910610407.db2.gz NQDMIXJEZISMFO-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001320325190 910610415 /nfs/dbraw/zinc/61/04/15/910610415.db2.gz NQDMIXJEZISMFO-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001328362412 915142589 /nfs/dbraw/zinc/14/25/89/915142589.db2.gz DUVIGWVTDGKPKU-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001329170085 915721331 /nfs/dbraw/zinc/72/13/31/915721331.db2.gz VWYYDROXDGBLGH-CYBMUJFWSA-N 1 2 288.351 0.261 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001330148331 916436093 /nfs/dbraw/zinc/43/60/93/916436093.db2.gz QDJPEWUABUAXQJ-ZFWWWQNUSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001330148331 916436102 /nfs/dbraw/zinc/43/61/02/916436102.db2.gz QDJPEWUABUAXQJ-ZFWWWQNUSA-N 1 2 282.384 0.901 20 30 CCEDLO CC(C)COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001402010739 916748696 /nfs/dbraw/zinc/74/86/96/916748696.db2.gz NNDWFSSNLUAFCX-OCCSQVGLSA-N 1 2 297.399 0.322 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2oncc2C)C1 ZINC001402293542 916935855 /nfs/dbraw/zinc/93/58/55/916935855.db2.gz MKKVPIHEZVNNEJ-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2oncc2C)C1 ZINC001402293542 916935859 /nfs/dbraw/zinc/93/58/59/916935859.db2.gz MKKVPIHEZVNNEJ-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO CCCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001402852005 917287563 /nfs/dbraw/zinc/28/75/63/917287563.db2.gz KODKFSUBOCMQHU-VHSXEESVSA-N 1 2 279.344 0.776 20 30 CCEDLO O=C(c1cccc(C#CCO)c1)N1CCn2c[nH+]cc2C1 ZINC001332096984 917859676 /nfs/dbraw/zinc/85/96/76/917859676.db2.gz IZBLDSUHSSMFPO-UHFFFAOYSA-N 1 2 281.315 0.883 20 30 CCEDLO CC(C)(C)[C@@H](CNCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332876681 918503323 /nfs/dbraw/zinc/50/33/23/918503323.db2.gz SJWDJQBXWPHVGC-SNVBAGLBSA-N 1 2 263.345 0.596 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC001333086090 918646601 /nfs/dbraw/zinc/64/66/01/918646601.db2.gz XJKPXHGXRMBTHK-UHFFFAOYSA-N 1 2 298.364 0.277 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001333279673 918771307 /nfs/dbraw/zinc/77/13/07/918771307.db2.gz NLCRDKMJQZJYSL-VLJOUNFMSA-N 1 2 280.368 0.841 20 30 CCEDLO CC(C)(C)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001333433538 918905063 /nfs/dbraw/zinc/90/50/63/918905063.db2.gz RVRSICKRLCXSFJ-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO CC(C)(C)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001333433538 918905072 /nfs/dbraw/zinc/90/50/72/918905072.db2.gz RVRSICKRLCXSFJ-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC001333778327 919155336 /nfs/dbraw/zinc/15/53/36/919155336.db2.gz BCNHKOLERQSRTL-CYBMUJFWSA-N 1 2 262.313 0.264 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC001333778327 919155347 /nfs/dbraw/zinc/15/53/47/919155347.db2.gz BCNHKOLERQSRTL-CYBMUJFWSA-N 1 2 262.313 0.264 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001406341473 919197774 /nfs/dbraw/zinc/19/77/74/919197774.db2.gz DMQXYMNRCLWWML-QJPTWQEYSA-N 1 2 289.339 0.006 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCO[C@@](C)(C#N)C1 ZINC001335162949 919991814 /nfs/dbraw/zinc/99/18/14/919991814.db2.gz QXYDRJBYZZJQOM-ZDUSSCGKSA-N 1 2 262.313 0.494 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001413960340 920225433 /nfs/dbraw/zinc/22/54/33/920225433.db2.gz GBKPAYKVTQXUPK-RBZFPXEDSA-N 1 2 299.440 0.037 20 30 CCEDLO C[S@](=O)CCN1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001413960340 920225452 /nfs/dbraw/zinc/22/54/52/920225452.db2.gz GBKPAYKVTQXUPK-RBZFPXEDSA-N 1 2 299.440 0.037 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001415602122 920777876 /nfs/dbraw/zinc/77/78/76/920777876.db2.gz QCWIJBDFWJFBSW-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(CC2CC2)no1 ZINC001418207935 921911246 /nfs/dbraw/zinc/91/12/46/921911246.db2.gz CHIUTWCZCCQIGN-VHSXEESVSA-N 1 2 291.355 0.776 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)[C@H](C)O)n2C)CC1 ZINC001340040903 921925879 /nfs/dbraw/zinc/92/58/79/921925879.db2.gz OQQZXXKYJJXTMK-STQMWFEESA-N 1 2 291.399 0.445 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COC[C@@H]1CCCO1 ZINC001418531600 922224440 /nfs/dbraw/zinc/22/44/40/922224440.db2.gz GSCJJLCMVVRDRC-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COC[C@@H]1CCCO1 ZINC001418531600 922224457 /nfs/dbraw/zinc/22/44/57/922224457.db2.gz GSCJJLCMVVRDRC-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO N#Cc1csc(CNC(=O)C[C@@H]([NH3+])C(F)F)n1 ZINC001341357948 922441241 /nfs/dbraw/zinc/44/12/41/922441241.db2.gz BVXGPHWWRJLDPR-ZCFIWIBFSA-N 1 2 260.269 0.613 20 30 CCEDLO C=C(C)C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OCC ZINC001341595187 922574839 /nfs/dbraw/zinc/57/48/39/922574839.db2.gz SWWQORAEDFSOTC-IUCAKERBSA-N 1 2 278.299 0.983 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419057885 922605741 /nfs/dbraw/zinc/60/57/41/922605741.db2.gz XYNZXXVTNQFLGE-QWRGUYRKSA-N 1 2 276.344 0.148 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419057885 922605739 /nfs/dbraw/zinc/60/57/39/922605739.db2.gz XYNZXXVTNQFLGE-QWRGUYRKSA-N 1 2 276.344 0.148 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CS(C)(=O)=O)C2)C1=O ZINC001343797785 923473012 /nfs/dbraw/zinc/47/30/12/923473012.db2.gz XAIJKLDHCNYAAP-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CS(C)(=O)=O)C2)C1=O ZINC001343797785 923473016 /nfs/dbraw/zinc/47/30/16/923473016.db2.gz XAIJKLDHCNYAAP-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(C#N)CC2)C1 ZINC001343917278 923501973 /nfs/dbraw/zinc/50/19/73/923501973.db2.gz STPWEUOIVVKLQZ-NSHDSACASA-N 1 2 250.346 0.042 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(C#N)CC2)C1 ZINC001343917278 923501975 /nfs/dbraw/zinc/50/19/75/923501975.db2.gz STPWEUOIVVKLQZ-NSHDSACASA-N 1 2 250.346 0.042 20 30 CCEDLO CN(CC#N)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001479771650 923573244 /nfs/dbraw/zinc/57/32/44/923573244.db2.gz NMBLRLYYRPSULT-UHFFFAOYSA-N 1 2 289.383 0.724 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001344957841 923746780 /nfs/dbraw/zinc/74/67/80/923746780.db2.gz CEVQJDRIQQPLST-LBPRGKRZSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001420561669 923778628 /nfs/dbraw/zinc/77/86/28/923778628.db2.gz OKVZEUHHIBIXRL-JTQLQIEISA-N 1 2 283.763 0.538 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001420561669 923778642 /nfs/dbraw/zinc/77/86/42/923778642.db2.gz OKVZEUHHIBIXRL-JTQLQIEISA-N 1 2 283.763 0.538 20 30 CCEDLO N#Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)nn1 ZINC001421090678 924146162 /nfs/dbraw/zinc/14/61/62/924146162.db2.gz UWFIILHHVNIHDO-GFCCVEGCSA-N 1 2 287.323 0.540 20 30 CCEDLO CCC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001421128468 924169081 /nfs/dbraw/zinc/16/90/81/924169081.db2.gz FSOGJWFDPLIIAO-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346604777 924275195 /nfs/dbraw/zinc/27/51/95/924275195.db2.gz BSYNMTDPAMGWIJ-OLZOCXBDSA-N 1 2 268.405 0.838 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346604777 924275205 /nfs/dbraw/zinc/27/52/05/924275205.db2.gz BSYNMTDPAMGWIJ-OLZOCXBDSA-N 1 2 268.405 0.838 20 30 CCEDLO N#Cc1cc(Cl)nc(N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC001347932466 924560742 /nfs/dbraw/zinc/56/07/42/924560742.db2.gz MFQVLZPQEGZLKE-UHFFFAOYSA-N 1 2 293.758 0.604 20 30 CCEDLO N#Cc1cc(Cl)nc(N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC001347932466 924560748 /nfs/dbraw/zinc/56/07/48/924560748.db2.gz MFQVLZPQEGZLKE-UHFFFAOYSA-N 1 2 293.758 0.604 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C(C)C)n2C)CC1 ZINC001350896023 925308542 /nfs/dbraw/zinc/30/85/42/925308542.db2.gz WOHVYAHSTNKQIO-LBPRGKRZSA-N 1 2 277.372 0.260 20 30 CCEDLO C=C1CCN(c2nnc([C@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001351132280 925366076 /nfs/dbraw/zinc/36/60/76/925366076.db2.gz IJWHFRWQGIPUPX-NWDGAFQWSA-N 1 2 277.372 0.709 20 30 CCEDLO C=C1CCN(c2nnc([C@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001351132280 925366084 /nfs/dbraw/zinc/36/60/84/925366084.db2.gz IJWHFRWQGIPUPX-NWDGAFQWSA-N 1 2 277.372 0.709 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1noc2c1COCC2 ZINC001351162196 925374769 /nfs/dbraw/zinc/37/47/69/925374769.db2.gz SNVZETPPSCDBCV-UHFFFAOYSA-N 1 2 250.298 0.829 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1noc2c1COCC2 ZINC001351162196 925374777 /nfs/dbraw/zinc/37/47/77/925374777.db2.gz SNVZETPPSCDBCV-UHFFFAOYSA-N 1 2 250.298 0.829 20 30 CCEDLO CN(CCCNC(=O)C#CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001351462557 925422766 /nfs/dbraw/zinc/42/27/66/925422766.db2.gz VUMRTZSUZZOKAV-UHFFFAOYSA-N 1 2 288.351 0.261 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001352677573 925618569 /nfs/dbraw/zinc/61/85/69/925618569.db2.gz MKEWBYWLXKFZOI-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001352677573 925618572 /nfs/dbraw/zinc/61/85/72/925618572.db2.gz MKEWBYWLXKFZOI-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(F)CC1 ZINC001353102235 925729926 /nfs/dbraw/zinc/72/99/26/925729926.db2.gz UMZIMYCTSWZEBM-JTQLQIEISA-N 1 2 258.293 0.394 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480460351 925782610 /nfs/dbraw/zinc/78/26/10/925782610.db2.gz TZDIWZXHWYCYED-GHMZBOCLSA-N 1 2 294.355 0.265 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001353607499 925883339 /nfs/dbraw/zinc/88/33/39/925883339.db2.gz NLSNKQBCKSFJIX-JOCQHMNTSA-N 1 2 286.335 0.060 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncc[nH]3)n2CC=C)CC1 ZINC001356106867 926344627 /nfs/dbraw/zinc/34/46/27/926344627.db2.gz HLARNUYMQXRXJT-UHFFFAOYSA-N 1 2 297.366 0.609 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357990600 926617452 /nfs/dbraw/zinc/61/74/52/926617452.db2.gz ABPHMRRYLJJIJK-AATRIKPKSA-N 1 2 290.367 0.953 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)on2)C1 ZINC001421332242 926683268 /nfs/dbraw/zinc/68/32/68/926683268.db2.gz OZWDOGYUHNWYBZ-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C)on2)C1 ZINC001421332242 926683276 /nfs/dbraw/zinc/68/32/76/926683276.db2.gz OZWDOGYUHNWYBZ-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCn2ccnn2)C1 ZINC001422720356 927471424 /nfs/dbraw/zinc/47/14/24/927471424.db2.gz DYDANQMZENVEJP-LLVKDONJSA-N 1 2 297.790 0.857 20 30 CCEDLO CCn1nncc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001422780971 927504930 /nfs/dbraw/zinc/50/49/30/927504930.db2.gz KHLJHHHTBJRLBN-MNOVXSKESA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001422780971 927504935 /nfs/dbraw/zinc/50/49/35/927504935.db2.gz KHLJHHHTBJRLBN-MNOVXSKESA-N 1 2 278.360 0.394 20 30 CCEDLO Cc1onc(CC(=O)NCCc2cn(C)c[nH+]2)c1C#N ZINC001362520765 928128152 /nfs/dbraw/zinc/12/81/52/928128152.db2.gz URIPHFSHDSFQEH-UHFFFAOYSA-N 1 2 273.296 0.490 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC001363244609 929019096 /nfs/dbraw/zinc/01/90/96/929019096.db2.gz NZNMKKFXSUAJLO-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252913 929030105 /nfs/dbraw/zinc/03/01/05/929030105.db2.gz KONVLDFPAYODTA-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252913 929030113 /nfs/dbraw/zinc/03/01/13/929030113.db2.gz KONVLDFPAYODTA-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001429770360 929513404 /nfs/dbraw/zinc/51/34/04/929513404.db2.gz XAVPHGIFEFDBGV-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO COc1cccc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001443568964 929650049 /nfs/dbraw/zinc/65/00/49/929650049.db2.gz HBSOXSWJQSUNLS-NSHDSACASA-N 1 2 288.351 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1cnnn1 ZINC001372438028 929833812 /nfs/dbraw/zinc/83/38/12/929833812.db2.gz HCOLTJMKPYLTCQ-UHFFFAOYSA-N 1 2 286.767 0.254 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1cnnn1 ZINC001372438028 929833824 /nfs/dbraw/zinc/83/38/24/929833824.db2.gz HCOLTJMKPYLTCQ-UHFFFAOYSA-N 1 2 286.767 0.254 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001446751507 930474324 /nfs/dbraw/zinc/47/43/24/930474324.db2.gz YTRBWULYVHNESI-ZWNOBZJWSA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001446751507 930474332 /nfs/dbraw/zinc/47/43/32/930474332.db2.gz YTRBWULYVHNESI-ZWNOBZJWSA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001446826715 930493595 /nfs/dbraw/zinc/49/35/95/930493595.db2.gz HHJXTROAQXWKEM-SNVBAGLBSA-N 1 2 294.330 0.411 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001447549259 930658991 /nfs/dbraw/zinc/65/89/91/930658991.db2.gz GBJAFWFRUWREQD-ZMLRMANQSA-N 1 2 289.339 0.265 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001447549259 930658998 /nfs/dbraw/zinc/65/89/98/930658998.db2.gz GBJAFWFRUWREQD-ZMLRMANQSA-N 1 2 289.339 0.265 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001376564114 931181456 /nfs/dbraw/zinc/18/14/56/931181456.db2.gz CPIDYNDUHVAGDI-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001376564114 931181461 /nfs/dbraw/zinc/18/14/61/931181461.db2.gz CPIDYNDUHVAGDI-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001376564136 931182834 /nfs/dbraw/zinc/18/28/34/931182834.db2.gz CPIDYNDUHVAGDI-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001376564136 931182839 /nfs/dbraw/zinc/18/28/39/931182839.db2.gz CPIDYNDUHVAGDI-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001376574774 931183759 /nfs/dbraw/zinc/18/37/59/931183759.db2.gz NBWPWKWLTCCHHQ-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001376574774 931183763 /nfs/dbraw/zinc/18/37/63/931183763.db2.gz NBWPWKWLTCCHHQ-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001377130020 931395104 /nfs/dbraw/zinc/39/51/04/931395104.db2.gz NIGHZRNDMYMXHH-VXGBXAGGSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001377130020 931395111 /nfs/dbraw/zinc/39/51/11/931395111.db2.gz NIGHZRNDMYMXHH-VXGBXAGGSA-N 1 2 282.388 0.499 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000092097847 349482551 /nfs/dbraw/zinc/48/25/51/349482551.db2.gz HRGZOJCLVDATHY-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000092097847 349482553 /nfs/dbraw/zinc/48/25/53/349482553.db2.gz HRGZOJCLVDATHY-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599584045 361753060 /nfs/dbraw/zinc/75/30/60/361753060.db2.gz YSKRSHKUTCWURN-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599584045 361753065 /nfs/dbraw/zinc/75/30/65/361753065.db2.gz YSKRSHKUTCWURN-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599665138 361779596 /nfs/dbraw/zinc/77/95/96/361779596.db2.gz QQGQHXJQOHWZEY-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599665138 361779600 /nfs/dbraw/zinc/77/96/00/361779600.db2.gz QQGQHXJQOHWZEY-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679734 361783935 /nfs/dbraw/zinc/78/39/35/361783935.db2.gz XNXPRIPTDWQSGK-UHFFFAOYSA-N 1 2 268.320 0.751 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679734 361783940 /nfs/dbraw/zinc/78/39/40/361783940.db2.gz XNXPRIPTDWQSGK-UHFFFAOYSA-N 1 2 268.320 0.751 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000599693377 361789865 /nfs/dbraw/zinc/78/98/65/361789865.db2.gz OUTBJBLTLWMDLA-RISCZKNCSA-N 1 2 299.371 0.124 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599693377 361789871 /nfs/dbraw/zinc/78/98/71/361789871.db2.gz OUTBJBLTLWMDLA-RISCZKNCSA-N 1 2 299.371 0.124 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273093963 192041112 /nfs/dbraw/zinc/04/11/12/192041112.db2.gz KHBAVMZVZBMGRY-LLVKDONJSA-N 1 2 270.279 0.890 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231333 361898027 /nfs/dbraw/zinc/89/80/27/361898027.db2.gz FBSXZIRBLUUBSD-WFASDCNBSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231333 361898034 /nfs/dbraw/zinc/89/80/34/361898034.db2.gz FBSXZIRBLUUBSD-WFASDCNBSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111327492 349771401 /nfs/dbraw/zinc/77/14/01/349771401.db2.gz KLOANSWRDDFELR-UHFFFAOYSA-N 1 2 259.375 0.646 20 30 CCEDLO C[N@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CCC1 ZINC000600815745 362068394 /nfs/dbraw/zinc/06/83/94/362068394.db2.gz DQMPJVRKVSMBPU-UHFFFAOYSA-N 1 2 258.285 0.576 20 30 CCEDLO C[N@@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CCC1 ZINC000600815745 362068397 /nfs/dbraw/zinc/06/83/97/362068397.db2.gz DQMPJVRKVSMBPU-UHFFFAOYSA-N 1 2 258.285 0.576 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(CCC#N)CC1 ZINC000600891235 362089762 /nfs/dbraw/zinc/08/97/62/362089762.db2.gz VPTRSPLTRRFPSU-ZDUSSCGKSA-N 1 2 290.371 0.512 20 30 CCEDLO Cc1cc(NCC2N=NC(=O)N2C2CC2)c(C#N)c[nH+]1 ZINC000601216947 362180389 /nfs/dbraw/zinc/18/03/89/362180389.db2.gz KCSUHSUZUYPEQU-UHFFFAOYSA-N 1 2 270.296 0.928 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000329050443 529782272 /nfs/dbraw/zinc/78/22/72/529782272.db2.gz WGEKKTHIHAVIPX-LBPRGKRZSA-N 1 2 289.339 0.074 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000329050443 529782273 /nfs/dbraw/zinc/78/22/73/529782273.db2.gz WGEKKTHIHAVIPX-LBPRGKRZSA-N 1 2 289.339 0.074 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCOCC3)C[C@H]21 ZINC000329044180 529785167 /nfs/dbraw/zinc/78/51/67/529785167.db2.gz PFURXBXMGZHEGJ-CHWSQXEVSA-N 1 2 297.399 0.732 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCOCC3)C[C@H]21 ZINC000329044180 529785168 /nfs/dbraw/zinc/78/51/68/529785168.db2.gz PFURXBXMGZHEGJ-CHWSQXEVSA-N 1 2 297.399 0.732 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)CCC#N ZINC000601470183 362282617 /nfs/dbraw/zinc/28/26/17/362282617.db2.gz DPEDPGFRKVLKPX-UHFFFAOYSA-N 1 2 271.346 0.083 20 30 CCEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OC ZINC000601788152 362394121 /nfs/dbraw/zinc/39/41/21/362394121.db2.gz RNGNIYWAURWDML-LBPRGKRZSA-N 1 2 279.340 0.977 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CCN(CC#N)CC2)[nH+]1 ZINC000602102966 362489901 /nfs/dbraw/zinc/48/99/01/362489901.db2.gz MVMLHJFWZPJAJE-UHFFFAOYSA-N 1 2 261.329 0.182 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602438500 362617199 /nfs/dbraw/zinc/61/71/99/362617199.db2.gz DHUFXRCJJADHQV-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602438500 362617204 /nfs/dbraw/zinc/61/72/04/362617204.db2.gz DHUFXRCJJADHQV-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1(CC#N)CC1 ZINC000357689804 260280599 /nfs/dbraw/zinc/28/05/99/260280599.db2.gz DSYWAXZWQATBQT-UHFFFAOYSA-N 1 2 280.372 0.253 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cnccc2C)c1C#N ZINC000534060302 290803679 /nfs/dbraw/zinc/80/36/79/290803679.db2.gz YGIUAGZQBRUGQC-UHFFFAOYSA-N 1 2 298.350 0.811 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000602764773 362789097 /nfs/dbraw/zinc/78/90/97/362789097.db2.gz WYRIOEQSGRLZFG-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000602861805 362846552 /nfs/dbraw/zinc/84/65/52/362846552.db2.gz JJJFIDTTZDBGNC-YPMHNXCESA-N 1 2 273.336 0.998 20 30 CCEDLO CC(C)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863881 362848842 /nfs/dbraw/zinc/84/88/42/362848842.db2.gz NSEHKKRXUVJPIN-VXGBXAGGSA-N 1 2 252.362 0.429 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000602865111 362849185 /nfs/dbraw/zinc/84/91/85/362849185.db2.gz WJSMSTROOBWTJZ-RYUDHWBXSA-N 1 2 280.372 0.395 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000014927120 348037764 /nfs/dbraw/zinc/03/77/64/348037764.db2.gz MCVGADXJTCTUBA-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000014927120 348037765 /nfs/dbraw/zinc/03/77/65/348037765.db2.gz MCVGADXJTCTUBA-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000602868930 362851037 /nfs/dbraw/zinc/85/10/37/362851037.db2.gz LBILNONMIXJXEO-BDAKNGLRSA-N 1 2 254.334 0.891 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000042540436 348284960 /nfs/dbraw/zinc/28/49/60/348284960.db2.gz FLDFMBTWUVBYSJ-ZDUSSCGKSA-N 1 2 275.352 0.535 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C(C)C ZINC000602982882 362922553 /nfs/dbraw/zinc/92/25/53/362922553.db2.gz ZLKTVZXPQHOKRZ-DYEKYZERSA-N 1 2 295.383 0.924 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C(C)C ZINC000602982882 362922557 /nfs/dbraw/zinc/92/25/57/362922557.db2.gz ZLKTVZXPQHOKRZ-DYEKYZERSA-N 1 2 295.383 0.924 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000347432219 137336246 /nfs/dbraw/zinc/33/62/46/137336246.db2.gz TUXAZBSLUPTCOD-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000052826354 348515638 /nfs/dbraw/zinc/51/56/38/348515638.db2.gz OTGBDKCSNBSBDQ-HNNXBMFYSA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000052826354 348515641 /nfs/dbraw/zinc/51/56/41/348515641.db2.gz OTGBDKCSNBSBDQ-HNNXBMFYSA-N 1 2 292.383 0.525 20 30 CCEDLO CNC(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000053148317 348521793 /nfs/dbraw/zinc/52/17/93/348521793.db2.gz URDIBMZNFNYNDF-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO CNC(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000053148317 348521797 /nfs/dbraw/zinc/52/17/97/348521797.db2.gz URDIBMZNFNYNDF-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCCC#N)CC1 ZINC000054994724 348567981 /nfs/dbraw/zinc/56/79/81/348567981.db2.gz QRBGUDILNGSFLD-LBPRGKRZSA-N 1 2 264.373 0.575 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCCC#N)CC1 ZINC000054994724 348567986 /nfs/dbraw/zinc/56/79/86/348567986.db2.gz QRBGUDILNGSFLD-LBPRGKRZSA-N 1 2 264.373 0.575 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000057976146 348619277 /nfs/dbraw/zinc/61/92/77/348619277.db2.gz IOONLYRKSSGRTD-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO N#CCc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000058242757 348623251 /nfs/dbraw/zinc/62/32/51/348623251.db2.gz BUARIOSTWYSBJG-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000068765876 348820281 /nfs/dbraw/zinc/82/02/81/348820281.db2.gz ILKKUUFVXMOJPL-LBPRGKRZSA-N 1 2 265.338 0.572 20 30 CCEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000068765876 348820284 /nfs/dbraw/zinc/82/02/84/348820284.db2.gz ILKKUUFVXMOJPL-LBPRGKRZSA-N 1 2 265.338 0.572 20 30 CCEDLO N#CCN1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000072516530 348923207 /nfs/dbraw/zinc/92/32/07/348923207.db2.gz NMHJROQLXLGPEO-UHFFFAOYSA-N 1 2 298.346 0.424 20 30 CCEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC1CC1 ZINC000081514600 349270370 /nfs/dbraw/zinc/27/03/70/349270370.db2.gz JMNMKXIBFHYDSR-ZDUSSCGKSA-N 1 2 292.383 0.336 20 30 CCEDLO N#CCC[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC1CC1 ZINC000081514600 349270373 /nfs/dbraw/zinc/27/03/73/349270373.db2.gz JMNMKXIBFHYDSR-ZDUSSCGKSA-N 1 2 292.383 0.336 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000081512234 349270516 /nfs/dbraw/zinc/27/05/16/349270516.db2.gz DOVAHSGPTVKSRJ-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000081512234 349270519 /nfs/dbraw/zinc/27/05/19/349270519.db2.gz DOVAHSGPTVKSRJ-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000085825004 349335550 /nfs/dbraw/zinc/33/55/50/349335550.db2.gz HKEPNBZKWUVHIT-NSHDSACASA-N 1 2 263.345 0.850 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000085825004 349335552 /nfs/dbraw/zinc/33/55/52/349335552.db2.gz HKEPNBZKWUVHIT-NSHDSACASA-N 1 2 263.345 0.850 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 ZINC000089592903 349396095 /nfs/dbraw/zinc/39/60/95/349396095.db2.gz VBLWPFDLTVKHKS-UHFFFAOYSA-N 1 2 292.293 0.817 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1C#N ZINC000135014263 350382362 /nfs/dbraw/zinc/38/23/62/350382362.db2.gz PRPXZEWEIAEQTO-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1C#N ZINC000135014263 350382367 /nfs/dbraw/zinc/38/23/67/350382367.db2.gz PRPXZEWEIAEQTO-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000169017467 350834258 /nfs/dbraw/zinc/83/42/58/350834258.db2.gz JMUNNIOKORXDSM-TZMCWYRMSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000169017467 350834261 /nfs/dbraw/zinc/83/42/61/350834261.db2.gz JMUNNIOKORXDSM-TZMCWYRMSA-N 1 2 290.319 0.545 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000171604266 350920610 /nfs/dbraw/zinc/92/06/10/350920610.db2.gz MEQSVAQEUUSCQS-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000171604266 350920614 /nfs/dbraw/zinc/92/06/14/350920614.db2.gz MEQSVAQEUUSCQS-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000172886231 351015589 /nfs/dbraw/zinc/01/55/89/351015589.db2.gz ULWZKJCUQVMLPQ-CYBMUJFWSA-N 1 2 268.357 0.534 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000172886231 351015592 /nfs/dbraw/zinc/01/55/92/351015592.db2.gz ULWZKJCUQVMLPQ-CYBMUJFWSA-N 1 2 268.357 0.534 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221654 363008044 /nfs/dbraw/zinc/00/80/44/363008044.db2.gz FMGXNZHLVNRTRQ-UHFFFAOYSA-N 1 2 285.351 0.817 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221654 363008051 /nfs/dbraw/zinc/00/80/51/363008051.db2.gz FMGXNZHLVNRTRQ-UHFFFAOYSA-N 1 2 285.351 0.817 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000174525811 351089741 /nfs/dbraw/zinc/08/97/41/351089741.db2.gz SDQKPSRBCWPSOG-CQSZACIVSA-N 1 2 290.363 0.357 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184584251 351416295 /nfs/dbraw/zinc/41/62/95/351416295.db2.gz GXZNWEPUKSCFDT-JTQLQIEISA-N 1 2 281.312 0.569 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186515760 351499824 /nfs/dbraw/zinc/49/98/24/351499824.db2.gz RFWITIIBZLREOF-KBPBESRZSA-N 1 2 292.379 0.901 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186515760 351499826 /nfs/dbraw/zinc/49/98/26/351499826.db2.gz RFWITIIBZLREOF-KBPBESRZSA-N 1 2 292.379 0.901 20 30 CCEDLO CCOC(=O)c1cnn(Cc2cn(C)c[nH+]2)c1C#N ZINC000603322612 363064805 /nfs/dbraw/zinc/06/48/05/363064805.db2.gz KDDXKDNZRALGNO-UHFFFAOYSA-N 1 2 259.269 0.713 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189371299 351673067 /nfs/dbraw/zinc/67/30/67/351673067.db2.gz NEXQKOFWCSFHKD-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189371299 351673069 /nfs/dbraw/zinc/67/30/69/351673069.db2.gz NEXQKOFWCSFHKD-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C(N)=O)O1 ZINC000192071647 351782770 /nfs/dbraw/zinc/78/27/70/351782770.db2.gz ASGVBBBZFSYJJT-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C(N)=O)O1 ZINC000192071647 351782773 /nfs/dbraw/zinc/78/27/73/351782773.db2.gz ASGVBBBZFSYJJT-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO COC(=O)c1cn(C2C[NH+](Cc3cccc(C#N)c3)C2)nn1 ZINC000355038490 137606312 /nfs/dbraw/zinc/60/63/12/137606312.db2.gz FJEWJJXYTVOIIV-UHFFFAOYSA-N 1 2 297.318 0.993 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266895040 352730797 /nfs/dbraw/zinc/73/07/97/352730797.db2.gz XHPBZJPHRCETBZ-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266895040 352730799 /nfs/dbraw/zinc/73/07/99/352730799.db2.gz XHPBZJPHRCETBZ-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267459044 352768028 /nfs/dbraw/zinc/76/80/28/352768028.db2.gz UOSVYZPWFLEBRN-LBPRGKRZSA-N 1 2 292.408 0.711 20 30 CCEDLO N#Cc1cccnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000270001964 352895152 /nfs/dbraw/zinc/89/51/52/352895152.db2.gz YKLLZNWCJUWIAL-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1cccnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000270001964 352895154 /nfs/dbraw/zinc/89/51/54/352895154.db2.gz YKLLZNWCJUWIAL-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000270662033 352964146 /nfs/dbraw/zinc/96/41/46/352964146.db2.gz QTCNVDUUSZYMDB-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000270662033 352964150 /nfs/dbraw/zinc/96/41/50/352964150.db2.gz QTCNVDUUSZYMDB-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCN2C(=O)CCC2=O)n1 ZINC000279741658 353312882 /nfs/dbraw/zinc/31/28/82/353312882.db2.gz OUZBFXRAOGLIMK-UHFFFAOYSA-N 1 2 288.351 0.487 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCN2C(=O)CCC2=O)n1 ZINC000279741658 353312883 /nfs/dbraw/zinc/31/28/83/353312883.db2.gz OUZBFXRAOGLIMK-UHFFFAOYSA-N 1 2 288.351 0.487 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000282089274 353391923 /nfs/dbraw/zinc/39/19/23/353391923.db2.gz IBGQLVCXQSBCRQ-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000282089274 353391927 /nfs/dbraw/zinc/39/19/27/353391927.db2.gz IBGQLVCXQSBCRQ-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)CO ZINC000293407389 353810031 /nfs/dbraw/zinc/81/00/31/353810031.db2.gz MCCSENISONENEL-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)CO ZINC000293407389 353810036 /nfs/dbraw/zinc/81/00/36/353810036.db2.gz MCCSENISONENEL-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000618900918 366114687 /nfs/dbraw/zinc/11/46/87/366114687.db2.gz QVNXSMBTMSSSEC-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295544138 353902504 /nfs/dbraw/zinc/90/25/04/353902504.db2.gz JWDOZTFGSIPOQO-RISCZKNCSA-N 1 2 289.335 0.578 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295544138 353902508 /nfs/dbraw/zinc/90/25/08/353902508.db2.gz JWDOZTFGSIPOQO-RISCZKNCSA-N 1 2 289.335 0.578 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000299095456 353990024 /nfs/dbraw/zinc/99/00/24/353990024.db2.gz KLVNUKMLYOEXLK-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c[nH+]1 ZINC000329443441 354256832 /nfs/dbraw/zinc/25/68/32/354256832.db2.gz AVEILZYYNOPPQO-IMTBSYHQSA-N 1 2 257.315 0.456 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000332529036 354692543 /nfs/dbraw/zinc/69/25/43/354692543.db2.gz QIORNKYXYAULMH-KGLIPLIRSA-N 1 2 286.335 0.498 20 30 CCEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000332529036 354692546 /nfs/dbraw/zinc/69/25/46/354692546.db2.gz QIORNKYXYAULMH-KGLIPLIRSA-N 1 2 286.335 0.498 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)C1=O ZINC000337179675 355278793 /nfs/dbraw/zinc/27/87/93/355278793.db2.gz ADDSNLDTTUZFJE-RDBSUJKOSA-N 1 2 292.379 0.843 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)C1=O ZINC000337179675 355278800 /nfs/dbraw/zinc/27/88/00/355278800.db2.gz ADDSNLDTTUZFJE-RDBSUJKOSA-N 1 2 292.379 0.843 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)CNc1ccc(C#N)cn1 ZINC000348389710 355923249 /nfs/dbraw/zinc/92/32/49/355923249.db2.gz HFYHPBFJSKDGOQ-UHFFFAOYSA-N 1 2 297.318 0.507 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3COC[C@H]3O)CC2)cc1 ZINC000361288279 138027553 /nfs/dbraw/zinc/02/75/53/138027553.db2.gz MVUNKIDLXUDAEG-JKSUJKDBSA-N 1 2 287.363 0.436 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362263777 138053042 /nfs/dbraw/zinc/05/30/42/138053042.db2.gz XHBHKYKDAMAWMI-CYBMUJFWSA-N 1 2 288.351 0.443 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000619511469 366272128 /nfs/dbraw/zinc/27/21/28/366272128.db2.gz WHUNVQHFCVDXQI-UHFFFAOYSA-N 1 2 272.352 0.768 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000610342824 363551804 /nfs/dbraw/zinc/55/18/04/363551804.db2.gz OPURPBAYMZCMEG-MNOVXSKESA-N 1 2 261.329 0.807 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OCCOCC)C1 ZINC000619719954 366339255 /nfs/dbraw/zinc/33/92/55/366339255.db2.gz OZJLNYIRVBGVDO-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](OCCOCC)C1 ZINC000619719954 366339261 /nfs/dbraw/zinc/33/92/61/366339261.db2.gz OZJLNYIRVBGVDO-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000619720520 366340806 /nfs/dbraw/zinc/34/08/06/366340806.db2.gz LYKGTWMJPUTTRN-GFCCVEGCSA-N 1 2 268.357 0.904 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cn2cncn2)CC1 ZINC000619721821 366341428 /nfs/dbraw/zinc/34/14/28/366341428.db2.gz GNJYQICMOWSLQO-GFCCVEGCSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000619716872 366333946 /nfs/dbraw/zinc/33/39/46/366333946.db2.gz WSXKKQFMGGRNCB-VXGBXAGGSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000619716872 366333955 /nfs/dbraw/zinc/33/39/55/366333955.db2.gz WSXKKQFMGGRNCB-VXGBXAGGSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000619718633 366337712 /nfs/dbraw/zinc/33/77/12/366337712.db2.gz RPKLAPNHSWPPDN-LBPRGKRZSA-N 1 2 284.356 0.331 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000356210295 356723996 /nfs/dbraw/zinc/72/39/96/356723996.db2.gz CONZYWTYESCIJC-LLVKDONJSA-N 1 2 267.354 0.988 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](OCCO)C2)n1 ZINC000356210295 356723998 /nfs/dbraw/zinc/72/39/98/356723998.db2.gz CONZYWTYESCIJC-LLVKDONJSA-N 1 2 267.354 0.988 20 30 CCEDLO C[C@H](CO)[N@@H+](Cc1nc(C#N)cs1)C[C@H](C)O ZINC000356394041 356759247 /nfs/dbraw/zinc/75/92/47/356759247.db2.gz LXWWCCJLWOKOAH-BDAKNGLRSA-N 1 2 255.343 0.578 20 30 CCEDLO C[C@H](CO)[N@H+](Cc1nc(C#N)cs1)C[C@H](C)O ZINC000356394041 356759250 /nfs/dbraw/zinc/75/92/50/356759250.db2.gz LXWWCCJLWOKOAH-BDAKNGLRSA-N 1 2 255.343 0.578 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000363920307 357070679 /nfs/dbraw/zinc/07/06/79/357070679.db2.gz LQGOLILWYDUFFV-GFCCVEGCSA-N 1 2 274.324 0.433 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000570600157 358873453 /nfs/dbraw/zinc/87/34/53/358873453.db2.gz NRXNIGDEEBRXCU-GXTWGEPZSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000570600157 358873458 /nfs/dbraw/zinc/87/34/58/358873458.db2.gz NRXNIGDEEBRXCU-GXTWGEPZSA-N 1 2 289.335 0.172 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000573058451 358933792 /nfs/dbraw/zinc/93/37/92/358933792.db2.gz QQVNTEBBDAWMOA-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000573058451 358933795 /nfs/dbraw/zinc/93/37/95/358933795.db2.gz QQVNTEBBDAWMOA-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000573991563 359019478 /nfs/dbraw/zinc/01/94/78/359019478.db2.gz SUVRPHKCTWVBEH-JHJVBQTASA-N 1 2 280.372 0.651 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)nc1 ZINC000610842358 363621032 /nfs/dbraw/zinc/62/10/32/363621032.db2.gz XQFOVNPZWZEIQR-ZDUSSCGKSA-N 1 2 285.351 0.354 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(N)=O)s1 ZINC000584843898 359217517 /nfs/dbraw/zinc/21/75/17/359217517.db2.gz VLTUGCMDMQBWBU-GFCCVEGCSA-N 1 2 280.353 0.421 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589391567 359379980 /nfs/dbraw/zinc/37/99/80/359379980.db2.gz VLAPOVAJICXFJX-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589391567 359379985 /nfs/dbraw/zinc/37/99/85/359379985.db2.gz VLAPOVAJICXFJX-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000588843166 359341092 /nfs/dbraw/zinc/34/10/92/359341092.db2.gz NTNCIYPZTSADSC-LLVKDONJSA-N 1 2 291.355 0.948 20 30 CCEDLO CC(C)(C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000588843166 359341098 /nfs/dbraw/zinc/34/10/98/359341098.db2.gz NTNCIYPZTSADSC-LLVKDONJSA-N 1 2 291.355 0.948 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n[nH]1 ZINC000590167169 359428029 /nfs/dbraw/zinc/42/80/29/359428029.db2.gz ZOSVDWSAUASGTE-OLZOCXBDSA-N 1 2 274.372 0.923 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)CC1(C#N)CC1 ZINC000590210310 359430075 /nfs/dbraw/zinc/43/00/75/359430075.db2.gz QUZUOWOVVVRPMG-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000590603391 359496953 /nfs/dbraw/zinc/49/69/53/359496953.db2.gz VMFUSTLFVFXKNY-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000590603391 359496956 /nfs/dbraw/zinc/49/69/56/359496956.db2.gz VMFUSTLFVFXKNY-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO CNc1nc(NC2CCN(CC#N)CC2)[nH+]c2ccccc21 ZINC000590689986 359508288 /nfs/dbraw/zinc/50/82/88/359508288.db2.gz KUGILXBHECMRHU-UHFFFAOYSA-N 1 2 296.378 0.915 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000590737007 359513222 /nfs/dbraw/zinc/51/32/22/359513222.db2.gz IEFGWMLYTQTOTP-BDAKNGLRSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000590737007 359513225 /nfs/dbraw/zinc/51/32/25/359513225.db2.gz IEFGWMLYTQTOTP-BDAKNGLRSA-N 1 2 267.285 0.682 20 30 CCEDLO N#CC[C@]1(O)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000591974127 359716349 /nfs/dbraw/zinc/71/63/49/359716349.db2.gz IOYPQRUXHFEZSN-AWEZNQCLSA-N 1 2 269.308 0.897 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000592071703 359746572 /nfs/dbraw/zinc/74/65/72/359746572.db2.gz QFBIIUWQOVBBHX-LLVKDONJSA-N 1 2 294.380 0.454 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000592071703 359746577 /nfs/dbraw/zinc/74/65/77/359746577.db2.gz QFBIIUWQOVBBHX-LLVKDONJSA-N 1 2 294.380 0.454 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000592145264 359764359 /nfs/dbraw/zinc/76/43/59/359764359.db2.gz QJPMYIYSIZYAFC-ZDUSSCGKSA-N 1 2 279.365 0.715 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000592145264 359764362 /nfs/dbraw/zinc/76/43/62/359764362.db2.gz QJPMYIYSIZYAFC-ZDUSSCGKSA-N 1 2 279.365 0.715 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592146985 359765801 /nfs/dbraw/zinc/76/58/01/359765801.db2.gz HJTUOPCRJQEPEJ-OAHLLOKOSA-N 1 2 273.336 1.000 20 30 CCEDLO CN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592146985 359765804 /nfs/dbraw/zinc/76/58/04/359765804.db2.gz HJTUOPCRJQEPEJ-OAHLLOKOSA-N 1 2 273.336 1.000 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000592146563 359766383 /nfs/dbraw/zinc/76/63/83/359766383.db2.gz CWGSARICSYKORZ-ZDUSSCGKSA-N 1 2 263.297 0.246 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000592146563 359766385 /nfs/dbraw/zinc/76/63/85/359766385.db2.gz CWGSARICSYKORZ-ZDUSSCGKSA-N 1 2 263.297 0.246 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148646 359767357 /nfs/dbraw/zinc/76/73/57/359767357.db2.gz YKNRQVSNBWBCNL-YUELXQCFSA-N 1 2 292.383 0.780 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148646 359767361 /nfs/dbraw/zinc/76/73/61/359767361.db2.gz YKNRQVSNBWBCNL-YUELXQCFSA-N 1 2 292.383 0.780 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC(F)(F)C2)c1C#N ZINC000611166430 363669329 /nfs/dbraw/zinc/66/93/29/363669329.db2.gz XDXIQKNHDCIUAS-UHFFFAOYSA-N 1 2 297.309 0.839 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000593382906 360073947 /nfs/dbraw/zinc/07/39/47/360073947.db2.gz ADZUHSFGRRYRID-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000593451601 360091071 /nfs/dbraw/zinc/09/10/71/360091071.db2.gz UACGTBITWCMKIR-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000593451601 360091074 /nfs/dbraw/zinc/09/10/74/360091074.db2.gz UACGTBITWCMKIR-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735464 360144247 /nfs/dbraw/zinc/14/42/47/360144247.db2.gz OKYCNCKYAFGBAY-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735464 360144248 /nfs/dbraw/zinc/14/42/48/360144248.db2.gz OKYCNCKYAFGBAY-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735463 360144264 /nfs/dbraw/zinc/14/42/64/360144264.db2.gz OKYCNCKYAFGBAY-SDDRHHMPSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735463 360144265 /nfs/dbraw/zinc/14/42/65/360144265.db2.gz OKYCNCKYAFGBAY-SDDRHHMPSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593885841 360195275 /nfs/dbraw/zinc/19/52/75/360195275.db2.gz CAZHZYXAKATGIO-CYBMUJFWSA-N 1 2 283.372 0.343 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1CSC[NH2+]1 ZINC000593917066 360211678 /nfs/dbraw/zinc/21/16/78/360211678.db2.gz WUJVXLQXJIJACF-NSHDSACASA-N 1 2 287.348 0.766 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593974430 360225092 /nfs/dbraw/zinc/22/50/92/360225092.db2.gz BKOAMOCUVJXATK-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCC#N ZINC000594235210 360261423 /nfs/dbraw/zinc/26/14/23/360261423.db2.gz STQBWVPTUVJXOY-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](OC)[C@H]1CCOC1 ZINC000595348583 360504098 /nfs/dbraw/zinc/50/40/98/360504098.db2.gz TXIBBXOORCWJIZ-QWHCGFSZSA-N 1 2 256.346 0.900 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](OC)[C@H]1CCOC1 ZINC000595348583 360504101 /nfs/dbraw/zinc/50/41/01/360504101.db2.gz TXIBBXOORCWJIZ-QWHCGFSZSA-N 1 2 256.346 0.900 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382916 360515439 /nfs/dbraw/zinc/51/54/39/360515439.db2.gz LAFWBOSQVZDRTD-GHMZBOCLSA-N 1 2 299.400 0.797 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595391170 360516903 /nfs/dbraw/zinc/51/69/03/360516903.db2.gz FVLSITHRFSMHGM-QLFBSQMISA-N 1 2 290.411 0.965 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000595666543 360613960 /nfs/dbraw/zinc/61/39/60/360613960.db2.gz BGJUAJNTTMXWEH-MRVPVSSYSA-N 1 2 268.342 0.806 20 30 CCEDLO N#CCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595581055 360588366 /nfs/dbraw/zinc/58/83/66/360588366.db2.gz YOUPAJHFUBQTMC-LBPRGKRZSA-N 1 2 266.345 0.406 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn[nH]n3)CC2)cc1 ZINC000298941906 200568671 /nfs/dbraw/zinc/56/86/71/200568671.db2.gz NGVHOKWGPIVTMG-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708779 360626618 /nfs/dbraw/zinc/62/66/18/360626618.db2.gz AVLIOPVMACKAPV-GHMZBOCLSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708779 360626620 /nfs/dbraw/zinc/62/66/20/360626620.db2.gz AVLIOPVMACKAPV-GHMZBOCLSA-N 1 2 271.386 0.644 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]2(COC)C(=O)OC)C1=O ZINC000595804840 360660350 /nfs/dbraw/zinc/66/03/50/360660350.db2.gz HVMBIFUSCOCGSH-IUODEOHRSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]2(COC)C(=O)OC)C1=O ZINC000595804840 360660353 /nfs/dbraw/zinc/66/03/53/360660353.db2.gz HVMBIFUSCOCGSH-IUODEOHRSA-N 1 2 296.367 0.427 20 30 CCEDLO C[C@H](Nc1cc(C#N)cnn1)[C@H](C)[NH+]1CCOCC1 ZINC000596113960 360798444 /nfs/dbraw/zinc/79/84/44/360798444.db2.gz FSWKGGOQFSFCOW-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@H]([C@H](C)Nc1c(C#N)cnn1C)[NH+]1CCOCC1 ZINC000596114974 360800726 /nfs/dbraw/zinc/80/07/26/360800726.db2.gz PPCOWVBDAPUIPD-WDEREUQCSA-N 1 2 263.345 0.813 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178816768 189148411 /nfs/dbraw/zinc/14/84/11/189148411.db2.gz HKHHANSNVXEDQP-CQSZACIVSA-N 1 2 284.363 0.596 20 30 CCEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)CC2CC2)ncn1 ZINC000596513836 360913832 /nfs/dbraw/zinc/91/38/32/360913832.db2.gz GEIWDPWGBZIZQG-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000597381347 361078687 /nfs/dbraw/zinc/07/86/87/361078687.db2.gz CTSCPGUCUSPXHC-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709615 361205119 /nfs/dbraw/zinc/20/51/19/361205119.db2.gz JXDQTKHNLDQRFZ-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000598001344 361307160 /nfs/dbraw/zinc/30/71/60/361307160.db2.gz ZKZRNORMLHNENR-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000598001344 361307165 /nfs/dbraw/zinc/30/71/65/361307165.db2.gz ZKZRNORMLHNENR-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO N#CCSCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342511 361392542 /nfs/dbraw/zinc/39/25/42/361392542.db2.gz JTXLHPYBRGISHB-UHFFFAOYSA-N 1 2 297.424 0.814 20 30 CCEDLO CCC(=O)N1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598622747 361464293 /nfs/dbraw/zinc/46/42/93/361464293.db2.gz QPAGCLCKRCBERS-NSHDSACASA-N 1 2 253.346 0.799 20 30 CCEDLO CCC(=O)N1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598622747 361464300 /nfs/dbraw/zinc/46/43/00/361464300.db2.gz QPAGCLCKRCBERS-NSHDSACASA-N 1 2 253.346 0.799 20 30 CCEDLO Cc1nnc([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591991 361452552 /nfs/dbraw/zinc/45/25/52/361452552.db2.gz DICMPCVVOSKNHL-RYUDHWBXSA-N 1 2 293.371 0.787 20 30 CCEDLO Cc1nnc([C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591991 361452555 /nfs/dbraw/zinc/45/25/55/361452555.db2.gz DICMPCVVOSKNHL-RYUDHWBXSA-N 1 2 293.371 0.787 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000598968306 361543515 /nfs/dbraw/zinc/54/35/15/361543515.db2.gz XIYCRJWSCKWFHJ-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000598968306 361543520 /nfs/dbraw/zinc/54/35/20/361543520.db2.gz XIYCRJWSCKWFHJ-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO N#Cc1csc(CNCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599008100 361552811 /nfs/dbraw/zinc/55/28/11/361552811.db2.gz HEQSAHSYAOMSMV-SNVBAGLBSA-N 1 2 252.343 0.171 20 30 CCEDLO N#Cc1csc(CNCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000599008100 361552818 /nfs/dbraw/zinc/55/28/18/361552818.db2.gz HEQSAHSYAOMSMV-SNVBAGLBSA-N 1 2 252.343 0.171 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000599356278 361665146 /nfs/dbraw/zinc/66/51/46/361665146.db2.gz KUEPDXKXOFXEJD-VIFPVBQESA-N 1 2 271.346 0.226 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000599356278 361665151 /nfs/dbraw/zinc/66/51/51/361665151.db2.gz KUEPDXKXOFXEJD-VIFPVBQESA-N 1 2 271.346 0.226 20 30 CCEDLO C=CCCOCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615553716 365005010 /nfs/dbraw/zinc/00/50/10/365005010.db2.gz SMZQICDZCCLJKF-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000656183656 412759232 /nfs/dbraw/zinc/75/92/32/412759232.db2.gz JATMSLIXOBBSNZ-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000656183656 412759236 /nfs/dbraw/zinc/75/92/36/412759236.db2.gz JATMSLIXOBBSNZ-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)nn1 ZINC000625973934 368381087 /nfs/dbraw/zinc/38/10/87/368381087.db2.gz XJZNGBGVAUROQB-GASCZTMLSA-N 1 2 294.399 0.667 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)nn1 ZINC000625973934 368381095 /nfs/dbraw/zinc/38/10/95/368381095.db2.gz XJZNGBGVAUROQB-GASCZTMLSA-N 1 2 294.399 0.667 20 30 CCEDLO C=CCCCC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097964 368439923 /nfs/dbraw/zinc/43/99/23/368439923.db2.gz FJNJXCOFMVMTHR-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097964 368439933 /nfs/dbraw/zinc/43/99/33/368439933.db2.gz FJNJXCOFMVMTHR-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C(C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632409957 371044560 /nfs/dbraw/zinc/04/45/60/371044560.db2.gz PWIOSROUJADMFF-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632409957 371044564 /nfs/dbraw/zinc/04/45/64/371044564.db2.gz PWIOSROUJADMFF-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCNC(=O)CC3)o2)c1 ZINC000333114009 205042618 /nfs/dbraw/zinc/04/26/18/205042618.db2.gz SSUMBVVDKLJMRN-UHFFFAOYSA-N 1 2 297.318 0.930 20 30 CCEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCNC(=O)CC3)o2)c1 ZINC000333114009 205042622 /nfs/dbraw/zinc/04/26/22/205042622.db2.gz SSUMBVVDKLJMRN-UHFFFAOYSA-N 1 2 297.318 0.930 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)C1CC1 ZINC000329576268 284372771 /nfs/dbraw/zinc/37/27/71/284372771.db2.gz KADLVKCOWMNBTB-GXSJLCMTSA-N 1 2 274.386 0.860 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)C1CC1 ZINC000329576268 284372773 /nfs/dbraw/zinc/37/27/73/284372773.db2.gz KADLVKCOWMNBTB-GXSJLCMTSA-N 1 2 274.386 0.860 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC#CCO)cc1 ZINC000635900696 373075661 /nfs/dbraw/zinc/07/56/61/373075661.db2.gz QZZVHPWEBFUEPT-OAHLLOKOSA-N 1 2 288.347 0.381 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC#CCO)cc1 ZINC000635900696 373075667 /nfs/dbraw/zinc/07/56/67/373075667.db2.gz QZZVHPWEBFUEPT-OAHLLOKOSA-N 1 2 288.347 0.381 20 30 CCEDLO C=CC(C)(C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636466829 373611227 /nfs/dbraw/zinc/61/12/27/373611227.db2.gz RQRGAKBOZKKIFY-UHFFFAOYSA-N 1 2 278.356 0.718 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC000639849264 376063167 /nfs/dbraw/zinc/06/31/67/376063167.db2.gz TVBGGYREJHWEPZ-STQMWFEESA-N 1 2 266.345 0.172 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC000639849264 376063170 /nfs/dbraw/zinc/06/31/70/376063170.db2.gz TVBGGYREJHWEPZ-STQMWFEESA-N 1 2 266.345 0.172 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640791884 376542384 /nfs/dbraw/zinc/54/23/84/376542384.db2.gz HZWURLBZTQFYSF-ZDUSSCGKSA-N 1 2 293.371 0.364 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@H]2CCCCO2)nn1 ZINC000640940919 376629611 /nfs/dbraw/zinc/62/96/11/376629611.db2.gz KOPRJBSUPOYPOX-AWEZNQCLSA-N 1 2 278.356 0.934 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C(C)(C)C)[nH]2)nn1 ZINC000641171985 376841298 /nfs/dbraw/zinc/84/12/98/376841298.db2.gz XYKFAHZCXUFLKH-UHFFFAOYSA-N 1 2 287.371 0.855 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2n[nH]c(C(C)(C)C)n2)nn1 ZINC000641171985 376841303 /nfs/dbraw/zinc/84/13/03/376841303.db2.gz XYKFAHZCXUFLKH-UHFFFAOYSA-N 1 2 287.371 0.855 20 30 CCEDLO Cc1nc(N2CCN(c3ncncc3C#N)CC2)cc[nH+]1 ZINC000516863889 249183626 /nfs/dbraw/zinc/18/36/26/249183626.db2.gz HLUCKWYJRKLQEU-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1c(Br)cnn1C ZINC000278844337 194179879 /nfs/dbraw/zinc/17/98/79/194179879.db2.gz WHZSWIYFGGIYGH-UHFFFAOYSA-N 1 2 287.161 0.574 20 30 CCEDLO Cc1nn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1C ZINC000574771947 335046689 /nfs/dbraw/zinc/04/66/89/335046689.db2.gz ZZANAWVSROMZRJ-QWRGUYRKSA-N 1 2 290.367 0.841 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N(C)CC)nn1 ZINC000657447379 412991932 /nfs/dbraw/zinc/99/19/32/412991932.db2.gz XJXSIIDRRFTSJY-LLVKDONJSA-N 1 2 265.361 0.811 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283760667 388769572 /nfs/dbraw/zinc/76/95/72/388769572.db2.gz BIOYJNKUGFVAAZ-LBPRGKRZSA-N 1 2 276.340 0.588 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000184385191 388772775 /nfs/dbraw/zinc/77/27/75/388772775.db2.gz JQMIMNISOPUQOE-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000025673262 388816748 /nfs/dbraw/zinc/81/67/48/388816748.db2.gz HOYRUMYRULRWDK-UHFFFAOYSA-N 1 2 276.321 0.733 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000289378173 388869618 /nfs/dbraw/zinc/86/96/18/388869618.db2.gz KFYUNFKEGHRLIQ-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C#CCC(CC#C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000289486786 388870423 /nfs/dbraw/zinc/87/04/23/388870423.db2.gz YEQVBWXLKFHCNP-GOEBONIOSA-N 1 2 288.391 0.971 20 30 CCEDLO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000289775242 388891096 /nfs/dbraw/zinc/89/10/96/388891096.db2.gz LNKSPXAKUWMYPH-SECBINFHSA-N 1 2 283.353 0.233 20 30 CCEDLO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000289775242 388891098 /nfs/dbraw/zinc/89/10/98/388891098.db2.gz LNKSPXAKUWMYPH-SECBINFHSA-N 1 2 283.353 0.233 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000049238828 388918040 /nfs/dbraw/zinc/91/80/40/388918040.db2.gz XWAZKUNVYNHWQL-GFCCVEGCSA-N 1 2 282.388 0.438 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000049238828 388918042 /nfs/dbraw/zinc/91/80/42/388918042.db2.gz XWAZKUNVYNHWQL-GFCCVEGCSA-N 1 2 282.388 0.438 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000051906243 388927742 /nfs/dbraw/zinc/92/77/42/388927742.db2.gz FKWXQZNNTPKUBT-GFCCVEGCSA-N 1 2 296.415 0.841 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000051906243 388927743 /nfs/dbraw/zinc/92/77/43/388927743.db2.gz FKWXQZNNTPKUBT-GFCCVEGCSA-N 1 2 296.415 0.841 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000292903859 388967406 /nfs/dbraw/zinc/96/74/06/388967406.db2.gz ANHXCXVYUTVVBR-UHFFFAOYSA-N 1 2 263.297 0.561 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000292903859 388967411 /nfs/dbraw/zinc/96/74/11/388967411.db2.gz ANHXCXVYUTVVBR-UHFFFAOYSA-N 1 2 263.297 0.561 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000192223273 389027691 /nfs/dbraw/zinc/02/76/91/389027691.db2.gz KOLSLNPVGVLJLL-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000192223273 389027695 /nfs/dbraw/zinc/02/76/95/389027695.db2.gz KOLSLNPVGVLJLL-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO Cc1nc(C(=O)NCC[NH+]2CCOCC2)ccc1C#N ZINC000298346592 389013232 /nfs/dbraw/zinc/01/32/32/389013232.db2.gz NETVGIHJOAQJQO-UHFFFAOYSA-N 1 2 274.324 0.324 20 30 CCEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735420 389032493 /nfs/dbraw/zinc/03/24/93/389032493.db2.gz VRWYYKQLHIODIJ-OAHLLOKOSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735420 389032496 /nfs/dbraw/zinc/03/24/96/389032496.db2.gz VRWYYKQLHIODIJ-OAHLLOKOSA-N 1 2 288.347 0.775 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)n2)C1=O ZINC000337193738 389051663 /nfs/dbraw/zinc/05/16/63/389051663.db2.gz VSQXNYFVLDXXQU-ZDUSSCGKSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnc(N(C)C)n2)C1=O ZINC000337193738 389051668 /nfs/dbraw/zinc/05/16/68/389051668.db2.gz VSQXNYFVLDXXQU-ZDUSSCGKSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000302739408 389076929 /nfs/dbraw/zinc/07/69/29/389076929.db2.gz IQTNKQZCCNQXPX-LLVKDONJSA-N 1 2 251.330 0.137 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000302739408 389076932 /nfs/dbraw/zinc/07/69/32/389076932.db2.gz IQTNKQZCCNQXPX-LLVKDONJSA-N 1 2 251.330 0.137 20 30 CCEDLO CC(C)(CNS(=O)(=O)CCCC#N)[NH+]1CCOCC1 ZINC000104107044 389079839 /nfs/dbraw/zinc/07/98/39/389079839.db2.gz MEIVFQYAJKVPQJ-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105609974 389086922 /nfs/dbraw/zinc/08/69/22/389086922.db2.gz ZNGCZRQWZNTHBL-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105609974 389086926 /nfs/dbraw/zinc/08/69/26/389086926.db2.gz ZNGCZRQWZNTHBL-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NCCC1(O)CCC1)[NH+]1CCOCC1 ZINC000328881240 389143246 /nfs/dbraw/zinc/14/32/46/389143246.db2.gz MDOBWJPGFUTCPO-QWHCGFSZSA-N 1 2 299.415 0.904 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC1CC1 ZINC000328908165 389144667 /nfs/dbraw/zinc/14/46/67/389144667.db2.gz LZQFQDQDARNZQH-MRVPVSSYSA-N 1 2 252.274 0.182 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC1CC1 ZINC000328908165 389144670 /nfs/dbraw/zinc/14/46/70/389144670.db2.gz LZQFQDQDARNZQH-MRVPVSSYSA-N 1 2 252.274 0.182 20 30 CCEDLO CCC[N@H+](CC#N)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338304191 389107358 /nfs/dbraw/zinc/10/73/58/389107358.db2.gz JKWQFAUVZJHNJT-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338304191 389107360 /nfs/dbraw/zinc/10/73/60/389107360.db2.gz JKWQFAUVZJHNJT-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000121408060 389147911 /nfs/dbraw/zinc/14/79/11/389147911.db2.gz QYQJUYXTMWZNSA-OAHLLOKOSA-N 1 2 291.351 0.925 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377418 389109930 /nfs/dbraw/zinc/10/99/30/389109930.db2.gz AETDLAYWIUQFMJ-MCIONIFRSA-N 1 2 280.368 0.675 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338377418 389109932 /nfs/dbraw/zinc/10/99/32/389109932.db2.gz AETDLAYWIUQFMJ-MCIONIFRSA-N 1 2 280.368 0.675 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000338501565 389111922 /nfs/dbraw/zinc/11/19/22/389111922.db2.gz RWEHFCCZTGJSCO-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000338501565 389111924 /nfs/dbraw/zinc/11/19/24/389111924.db2.gz RWEHFCCZTGJSCO-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000338501564 389111934 /nfs/dbraw/zinc/11/19/34/389111934.db2.gz RWEHFCCZTGJSCO-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000338501564 389111937 /nfs/dbraw/zinc/11/19/37/389111937.db2.gz RWEHFCCZTGJSCO-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@@H]1C[NH+](CCn2cnc(C#N)c2C#N)C[C@@H](C)O1 ZINC000313803368 389116449 /nfs/dbraw/zinc/11/64/49/389116449.db2.gz QLUCTLTXIXDLDJ-GHMZBOCLSA-N 1 2 259.313 0.736 20 30 CCEDLO N#CCCOCC[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000338912785 389118373 /nfs/dbraw/zinc/11/83/73/389118373.db2.gz RGRBJHLUCKTWQV-CQSZACIVSA-N 1 2 273.336 0.829 20 30 CCEDLO N#CCCOCC[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000338912785 389118377 /nfs/dbraw/zinc/11/83/77/389118377.db2.gz RGRBJHLUCKTWQV-CQSZACIVSA-N 1 2 273.336 0.829 20 30 CCEDLO CC(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328672065 389131248 /nfs/dbraw/zinc/13/12/48/389131248.db2.gz HVNMWZUMKKXRMX-GFCCVEGCSA-N 1 2 283.372 0.675 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)OCC ZINC000339372238 389131576 /nfs/dbraw/zinc/13/15/76/389131576.db2.gz XUGIOFJQJGMHEJ-KGLIPLIRSA-N 1 2 283.416 0.720 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)OCC ZINC000339372238 389131577 /nfs/dbraw/zinc/13/15/77/389131577.db2.gz XUGIOFJQJGMHEJ-KGLIPLIRSA-N 1 2 283.416 0.720 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CSC2(C)C)C1 ZINC000328710853 389133687 /nfs/dbraw/zinc/13/36/87/389133687.db2.gz AWLBEKYQRHEDDC-NXEZZACHSA-N 1 2 273.402 0.715 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CSC2(C)C)C1 ZINC000328710853 389133690 /nfs/dbraw/zinc/13/36/90/389133690.db2.gz AWLBEKYQRHEDDC-NXEZZACHSA-N 1 2 273.402 0.715 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1conc1CC ZINC000339608920 389136062 /nfs/dbraw/zinc/13/60/62/389136062.db2.gz JVECHZFHWPFVGA-UHFFFAOYSA-N 1 2 280.328 0.681 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1conc1CC ZINC000339608920 389136063 /nfs/dbraw/zinc/13/60/63/389136063.db2.gz JVECHZFHWPFVGA-UHFFFAOYSA-N 1 2 280.328 0.681 20 30 CCEDLO C[C@@H](C(=O)NCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777400 389136139 /nfs/dbraw/zinc/13/61/39/389136139.db2.gz MZUSAGOSVYPFPI-LBPRGKRZSA-N 1 2 290.342 0.976 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC000329666918 389184781 /nfs/dbraw/zinc/18/47/81/389184781.db2.gz QJGNPZSOSGXRCH-NTZNESFSSA-N 1 2 254.330 0.700 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC000329666918 389184782 /nfs/dbraw/zinc/18/47/82/389184782.db2.gz QJGNPZSOSGXRCH-NTZNESFSSA-N 1 2 254.330 0.700 20 30 CCEDLO Cc1nnc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000329728658 389193403 /nfs/dbraw/zinc/19/34/03/389193403.db2.gz CRPLSXMLNLMKGY-WPRPVWTQSA-N 1 2 299.400 0.742 20 30 CCEDLO Cc1nnc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000329728658 389193405 /nfs/dbraw/zinc/19/34/05/389193405.db2.gz CRPLSXMLNLMKGY-WPRPVWTQSA-N 1 2 299.400 0.742 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cncs2)CC1 ZINC000122214117 389151723 /nfs/dbraw/zinc/15/17/23/389151723.db2.gz HJGLFTUVIBBTQI-UHFFFAOYSA-N 1 2 280.397 0.563 20 30 CCEDLO C=C(CC)C[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000358500155 389152797 /nfs/dbraw/zinc/15/27/97/389152797.db2.gz PDOCWQVOQPSDIT-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(CC)C[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000358500155 389152800 /nfs/dbraw/zinc/15/28/00/389152800.db2.gz PDOCWQVOQPSDIT-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[C@@H](CO)Nc1nc(C)[nH+]c(N[C@H](CO)CC=C)n1 ZINC000358514918 389153612 /nfs/dbraw/zinc/15/36/12/389153612.db2.gz ALHPBIXWJRZWTM-RYUDHWBXSA-N 1 2 293.371 0.300 20 30 CCEDLO C=C(C)COCCNC(=O)NCCn1cc[nH+]c1 ZINC000123937234 389158913 /nfs/dbraw/zinc/15/89/13/389158913.db2.gz USNXEWJEZVRQLO-UHFFFAOYSA-N 1 2 252.318 0.775 20 30 CCEDLO O=C(CN1CCn2cc[nH+]c2C1)NC(=O)NC1CC1 ZINC000329360469 389159485 /nfs/dbraw/zinc/15/94/85/389159485.db2.gz XYZSSCPAELSAHP-UHFFFAOYSA-N 1 2 263.301 0.732 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000124339910 389160492 /nfs/dbraw/zinc/16/04/92/389160492.db2.gz ZKKPGRLHDJPCKY-OKILXGFUSA-N 1 2 287.363 0.146 20 30 CCEDLO CC#CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000359032778 389165279 /nfs/dbraw/zinc/16/52/79/389165279.db2.gz QHRCDGKNBWNBCW-UHFFFAOYSA-N 1 2 251.330 0.174 20 30 CCEDLO CN(CC1(O)CCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329498468 389167361 /nfs/dbraw/zinc/16/73/61/389167361.db2.gz GUEHYGGCAUUCJM-LLVKDONJSA-N 1 2 271.361 0.078 20 30 CCEDLO CN(CC1(O)CCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329498468 389167363 /nfs/dbraw/zinc/16/73/63/389167363.db2.gz GUEHYGGCAUUCJM-LLVKDONJSA-N 1 2 271.361 0.078 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359528172 389176108 /nfs/dbraw/zinc/17/61/08/389176108.db2.gz GIMBXULQTDOSJT-JTQLQIEISA-N 1 2 269.251 0.228 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000128484653 389177528 /nfs/dbraw/zinc/17/75/28/389177528.db2.gz BSRHAVVMFYYZID-GFCCVEGCSA-N 1 2 267.373 0.596 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000128484653 389177529 /nfs/dbraw/zinc/17/75/29/389177529.db2.gz BSRHAVVMFYYZID-GFCCVEGCSA-N 1 2 267.373 0.596 20 30 CCEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CCCC#N ZINC000134545027 389247312 /nfs/dbraw/zinc/24/73/12/389247312.db2.gz VGHCMTXRNOKLKH-UHFFFAOYSA-N 1 2 270.358 0.839 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)n(C)n1 ZINC000330624066 389247484 /nfs/dbraw/zinc/24/74/84/389247484.db2.gz QOCQEHHIHDFMGG-UHFFFAOYSA-N 1 2 296.375 0.074 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)n(C)n1 ZINC000330624066 389247486 /nfs/dbraw/zinc/24/74/86/389247486.db2.gz QOCQEHHIHDFMGG-UHFFFAOYSA-N 1 2 296.375 0.074 20 30 CCEDLO CC(C)[C@@H](CNC(=O)c1cnnn1C)[NH+]1CCOCC1 ZINC000330671546 389251259 /nfs/dbraw/zinc/25/12/59/389251259.db2.gz NEBMMQQCUCGHSC-LLVKDONJSA-N 1 2 281.360 0.477 20 30 CCEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000343057249 389257465 /nfs/dbraw/zinc/25/74/65/389257465.db2.gz BQKDTCAXICVCFH-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000343057249 389257466 /nfs/dbraw/zinc/25/74/66/389257466.db2.gz BQKDTCAXICVCFH-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1cccc(Cl)c1 ZINC000136063742 389264480 /nfs/dbraw/zinc/26/44/80/389264480.db2.gz AWZCGCJKORIFOK-UHFFFAOYSA-N 1 2 271.704 0.950 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)CC(=O)NC1CC1 ZINC000329906961 389210606 /nfs/dbraw/zinc/21/06/06/389210606.db2.gz KMFYYGGECPYCCL-UHFFFAOYSA-N 1 2 275.374 0.073 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)CC(=O)NC1CC1 ZINC000329906961 389210608 /nfs/dbraw/zinc/21/06/08/389210608.db2.gz KMFYYGGECPYCCL-UHFFFAOYSA-N 1 2 275.374 0.073 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1csc(=O)[nH]1 ZINC000329927306 389211361 /nfs/dbraw/zinc/21/13/61/389211361.db2.gz WUTBKOQJLWVGLT-UHFFFAOYSA-N 1 2 257.315 0.486 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000342360545 389215395 /nfs/dbraw/zinc/21/53/95/389215395.db2.gz XARRIYVGBHSSKF-UHFFFAOYSA-N 1 2 276.340 0.915 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000342360545 389215396 /nfs/dbraw/zinc/21/53/96/389215396.db2.gz XARRIYVGBHSSKF-UHFFFAOYSA-N 1 2 276.340 0.915 20 30 CCEDLO C[C@H](CO)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330416647 389226359 /nfs/dbraw/zinc/22/63/59/389226359.db2.gz BFOKLHDZIVHPTE-NSHDSACASA-N 1 2 273.377 0.229 20 30 CCEDLO C[C@H](CO)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330416647 389226362 /nfs/dbraw/zinc/22/63/62/389226362.db2.gz BFOKLHDZIVHPTE-NSHDSACASA-N 1 2 273.377 0.229 20 30 CCEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246882589 389232815 /nfs/dbraw/zinc/23/28/15/389232815.db2.gz BALABDCAFHDRIA-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246882589 389232818 /nfs/dbraw/zinc/23/28/18/389232818.db2.gz BALABDCAFHDRIA-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000246952925 389234015 /nfs/dbraw/zinc/23/40/15/389234015.db2.gz RFOVJYAFOLMHCG-UONOGXRCSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000246952925 389234018 /nfs/dbraw/zinc/23/40/18/389234018.db2.gz RFOVJYAFOLMHCG-UONOGXRCSA-N 1 2 282.384 0.923 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247393039 389239513 /nfs/dbraw/zinc/23/95/13/389239513.db2.gz QNQCADXFNHKDKX-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247393039 389239514 /nfs/dbraw/zinc/23/95/14/389239514.db2.gz QNQCADXFNHKDKX-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247403004 389239711 /nfs/dbraw/zinc/23/97/11/389239711.db2.gz REXJOJWABNEBPT-VXGBXAGGSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247403004 389239715 /nfs/dbraw/zinc/23/97/15/389239715.db2.gz REXJOJWABNEBPT-VXGBXAGGSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247478764 389240243 /nfs/dbraw/zinc/24/02/43/389240243.db2.gz FHHLCBSNZIBVFH-GRYCIOLGSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247478764 389240245 /nfs/dbraw/zinc/24/02/45/389240245.db2.gz FHHLCBSNZIBVFH-GRYCIOLGSA-N 1 2 283.372 0.886 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(C)(C)C#N ZINC000345734761 389312817 /nfs/dbraw/zinc/31/28/17/389312817.db2.gz DTWMIPVMXXWOBZ-SNVBAGLBSA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C#N ZINC000345734761 389312820 /nfs/dbraw/zinc/31/28/20/389312820.db2.gz DTWMIPVMXXWOBZ-SNVBAGLBSA-N 1 2 267.329 0.290 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC#N ZINC000343863204 389274103 /nfs/dbraw/zinc/27/41/03/389274103.db2.gz OUCGZSIMYUOYJY-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC#N ZINC000343863204 389274106 /nfs/dbraw/zinc/27/41/06/389274106.db2.gz OUCGZSIMYUOYJY-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365918825 389289193 /nfs/dbraw/zinc/28/91/93/389289193.db2.gz LLBMNSCIJIUXNB-SNVBAGLBSA-N 1 2 261.329 0.122 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(CC#N)C1CCCC1 ZINC000349240953 389409105 /nfs/dbraw/zinc/40/91/05/389409105.db2.gz MYCRHYMCLMIUJJ-UHFFFAOYSA-N 1 2 294.399 0.738 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CC#N)C1CCCC1 ZINC000349240953 389409109 /nfs/dbraw/zinc/40/91/09/389409109.db2.gz MYCRHYMCLMIUJJ-UHFFFAOYSA-N 1 2 294.399 0.738 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000408402190 389346800 /nfs/dbraw/zinc/34/68/00/389346800.db2.gz GYZXEASEZZXHAW-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000408402190 389346802 /nfs/dbraw/zinc/34/68/02/389346802.db2.gz GYZXEASEZZXHAW-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000332440421 389351457 /nfs/dbraw/zinc/35/14/57/389351457.db2.gz WXEMCWVIVADPEW-LLVKDONJSA-N 1 2 282.369 0.843 20 30 CCEDLO C[C@@H](NC(=O)C(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000170886830 389467673 /nfs/dbraw/zinc/46/76/73/389467673.db2.gz USILVECOUOMTOO-MNOVXSKESA-N 1 2 253.346 0.762 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCO[C@H](C#N)C1 ZINC000171605499 389477245 /nfs/dbraw/zinc/47/72/45/389477245.db2.gz DJKXXOKZWXQDGE-GFCCVEGCSA-N 1 2 296.371 0.031 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCO[C@H](C#N)C1 ZINC000171605499 389477252 /nfs/dbraw/zinc/47/72/52/389477252.db2.gz DJKXXOKZWXQDGE-GFCCVEGCSA-N 1 2 296.371 0.031 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000269651416 389425567 /nfs/dbraw/zinc/42/55/67/389425567.db2.gz ZQGGGHALKBNHPN-AWEZNQCLSA-N 1 2 272.308 0.922 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270462196 389432831 /nfs/dbraw/zinc/43/28/31/389432831.db2.gz AQKUURDVKKFSKN-JTQLQIEISA-N 1 2 264.285 0.848 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270462196 389432835 /nfs/dbraw/zinc/43/28/35/389432835.db2.gz AQKUURDVKKFSKN-JTQLQIEISA-N 1 2 264.285 0.848 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372166954 389445575 /nfs/dbraw/zinc/44/55/75/389445575.db2.gz NIFDZXALSKMFQH-CHWSQXEVSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372166954 389445577 /nfs/dbraw/zinc/44/55/77/389445577.db2.gz NIFDZXALSKMFQH-CHWSQXEVSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373793527 389515792 /nfs/dbraw/zinc/51/57/92/389515792.db2.gz UNRXKGFBEVQGAK-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373793527 389515793 /nfs/dbraw/zinc/51/57/93/389515793.db2.gz UNRXKGFBEVQGAK-OBJOEFQTSA-N 1 2 266.341 0.004 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)CC)C1=O ZINC000281310349 389613518 /nfs/dbraw/zinc/61/35/18/389613518.db2.gz KLNPUCNLKJSHME-NSHDSACASA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)CC)C1=O ZINC000281310349 389613522 /nfs/dbraw/zinc/61/35/22/389613522.db2.gz KLNPUCNLKJSHME-NSHDSACASA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCC(C)C)C1=O ZINC000281343402 389613938 /nfs/dbraw/zinc/61/39/38/389613938.db2.gz MPWFVQGHUUIPKU-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCC(C)C)C1=O ZINC000281343402 389613944 /nfs/dbraw/zinc/61/39/44/389613944.db2.gz MPWFVQGHUUIPKU-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@]2(C)CCC)C1=O ZINC000281464905 389617806 /nfs/dbraw/zinc/61/78/06/389617806.db2.gz VPBMURXJQBNFJO-DOMZBBRYSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@]2(C)CCC)C1=O ZINC000281464905 389617808 /nfs/dbraw/zinc/61/78/08/389617808.db2.gz VPBMURXJQBNFJO-DOMZBBRYSA-N 1 2 279.384 0.764 20 30 CCEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178981047 389631524 /nfs/dbraw/zinc/63/15/24/389631524.db2.gz CQUSYKUXCRNSTO-MGMWDDNKSA-N 1 2 290.323 0.719 20 30 CCEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000351607675 389632241 /nfs/dbraw/zinc/63/22/41/389632241.db2.gz JYNTZPSXWGCBLU-NSHDSACASA-N 1 2 278.356 0.101 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H](C)C#N ZINC000351473679 389584937 /nfs/dbraw/zinc/58/49/37/389584937.db2.gz DQSRZEAUGNSTSP-WCQYABFASA-N 1 2 283.372 0.782 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H](C)C#N ZINC000351473679 389584940 /nfs/dbraw/zinc/58/49/40/389584940.db2.gz DQSRZEAUGNSTSP-WCQYABFASA-N 1 2 283.372 0.782 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374664285 389598180 /nfs/dbraw/zinc/59/81/80/389598180.db2.gz PKEYMDXDYXZKLH-LLVKDONJSA-N 1 2 291.355 0.407 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)c(F)c1 ZINC000178195855 389599888 /nfs/dbraw/zinc/59/98/88/389599888.db2.gz YBUHSUWMFNSDOK-CQSZACIVSA-N 1 2 288.326 0.708 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2ncnn2C)cs1 ZINC000178308127 389602166 /nfs/dbraw/zinc/60/21/66/389602166.db2.gz CGPZWNYXDJTUQR-UHFFFAOYSA-N 1 2 266.330 0.612 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCC)CC(=O)OC)C1=O ZINC000282037346 389649164 /nfs/dbraw/zinc/64/91/64/389649164.db2.gz QOKYBMMRWYLOLR-NSHDSACASA-N 1 2 254.330 0.658 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCC)CC(=O)OC)C1=O ZINC000282037346 389649168 /nfs/dbraw/zinc/64/91/68/389649168.db2.gz QOKYBMMRWYLOLR-NSHDSACASA-N 1 2 254.330 0.658 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c[nH]1 ZINC000426080947 389662634 /nfs/dbraw/zinc/66/26/34/389662634.db2.gz ZBAUMSAFLXQJKI-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO C=CCNC(=O)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000181228952 389682984 /nfs/dbraw/zinc/68/29/84/389682984.db2.gz PQAMCLBXURJTTE-UHFFFAOYSA-N 1 2 279.344 0.217 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C[C@H](C)O1 ZINC000352457473 389813975 /nfs/dbraw/zinc/81/39/75/389813975.db2.gz DKEKESQNSBJQCR-TXEJJXNPSA-N 1 2 283.347 0.950 20 30 CCEDLO N#CCNC(=O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353329862 389848846 /nfs/dbraw/zinc/84/88/46/389848846.db2.gz LIIMFTBGWPUMNS-UHFFFAOYSA-N 1 2 272.268 0.096 20 30 CCEDLO CC[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000419203869 389888492 /nfs/dbraw/zinc/88/84/92/389888492.db2.gz GAHVNVLNXSLMPP-AWEZNQCLSA-N 1 2 269.389 0.959 20 30 CCEDLO CC[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000419203869 389888494 /nfs/dbraw/zinc/88/84/94/389888494.db2.gz GAHVNVLNXSLMPP-AWEZNQCLSA-N 1 2 269.389 0.959 20 30 CCEDLO CC[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000419203869 389888495 /nfs/dbraw/zinc/88/84/95/389888495.db2.gz GAHVNVLNXSLMPP-AWEZNQCLSA-N 1 2 269.389 0.959 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000444622074 389910849 /nfs/dbraw/zinc/91/08/49/389910849.db2.gz NWGGBYUWSHLZLB-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000444622074 389910851 /nfs/dbraw/zinc/91/08/51/389910851.db2.gz NWGGBYUWSHLZLB-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000446669787 389939065 /nfs/dbraw/zinc/93/90/65/389939065.db2.gz GGPRLWSBPGBVTQ-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000420001172 389941627 /nfs/dbraw/zinc/94/16/27/389941627.db2.gz PLVHRVJBDVIEFL-AVGNSLFASA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434695037 389941809 /nfs/dbraw/zinc/94/18/09/389941809.db2.gz OVJNTHXMMRHRKP-CYBMUJFWSA-N 1 2 283.416 0.720 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434695037 389941810 /nfs/dbraw/zinc/94/18/10/389941810.db2.gz OVJNTHXMMRHRKP-CYBMUJFWSA-N 1 2 283.416 0.720 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420948101 390040251 /nfs/dbraw/zinc/04/02/51/390040251.db2.gz VIWDLYMDAPLUOM-GFCCVEGCSA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420948101 390040253 /nfs/dbraw/zinc/04/02/53/390040253.db2.gz VIWDLYMDAPLUOM-GFCCVEGCSA-N 1 2 283.372 0.220 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000449007935 389991934 /nfs/dbraw/zinc/99/19/34/389991934.db2.gz GMBFAYXVYOVWHS-UHFFFAOYSA-N 1 2 292.358 0.641 20 30 CCEDLO C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000448913919 389992374 /nfs/dbraw/zinc/99/23/74/389992374.db2.gz ANJGOCLULWNTQW-UHXUPSOCSA-N 1 2 265.357 0.762 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)COCC)[C@H]1CCS(=O)(=O)C1 ZINC000440295710 390034923 /nfs/dbraw/zinc/03/49/23/390034923.db2.gz NQDGAMMIGHRGOW-RYUDHWBXSA-N 1 2 277.386 0.059 20 30 CCEDLO C=CC[N@H+](C[C@H](O)COCC)[C@H]1CCS(=O)(=O)C1 ZINC000440295710 390034925 /nfs/dbraw/zinc/03/49/25/390034925.db2.gz NQDGAMMIGHRGOW-RYUDHWBXSA-N 1 2 277.386 0.059 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000440396045 390036377 /nfs/dbraw/zinc/03/63/77/390036377.db2.gz FOPMYYRBTLELID-VXGBXAGGSA-N 1 2 284.385 0.444 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000440396045 390036379 /nfs/dbraw/zinc/03/63/79/390036379.db2.gz FOPMYYRBTLELID-VXGBXAGGSA-N 1 2 284.385 0.444 20 30 CCEDLO C#CCN(CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000490628929 390106622 /nfs/dbraw/zinc/10/66/22/390106622.db2.gz IXPLIYWTFXELHM-ZDUSSCGKSA-N 1 2 266.389 0.287 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC3(CC2=O)CCOCC3)CC1 ZINC000490779648 390107959 /nfs/dbraw/zinc/10/79/59/390107959.db2.gz YOTITSOIRIUMPV-UHFFFAOYSA-N 1 2 291.395 0.224 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491800057 390116762 /nfs/dbraw/zinc/11/67/62/390116762.db2.gz YNOPSGHNMSCTGR-WLMCBFPDSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491800057 390116763 /nfs/dbraw/zinc/11/67/63/390116763.db2.gz YNOPSGHNMSCTGR-WLMCBFPDSA-N 1 2 298.390 0.933 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494289410 390163305 /nfs/dbraw/zinc/16/33/05/390163305.db2.gz BGKRMNRQKFHCNA-UHFFFAOYSA-N 1 2 266.316 0.922 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494289410 390163309 /nfs/dbraw/zinc/16/33/09/390163309.db2.gz BGKRMNRQKFHCNA-UHFFFAOYSA-N 1 2 266.316 0.922 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COC[C@@H]1CCCO1 ZINC000579717497 390203071 /nfs/dbraw/zinc/20/30/71/390203071.db2.gz BKSZWAHVJHOJFW-WCQYABFASA-N 1 2 269.345 0.142 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000648835128 390418592 /nfs/dbraw/zinc/41/85/92/390418592.db2.gz DRARIYCXPNNHOM-SECBINFHSA-N 1 2 272.312 0.475 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000648835128 390418595 /nfs/dbraw/zinc/41/85/95/390418595.db2.gz DRARIYCXPNNHOM-SECBINFHSA-N 1 2 272.312 0.475 20 30 CCEDLO C[C@@H](Oc1cccnc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000562323191 390488392 /nfs/dbraw/zinc/48/83/92/390488392.db2.gz UXSQRIWYVXJEJT-BXUZGUMPSA-N 1 2 276.340 0.809 20 30 CCEDLO CC(C)(CNC(=O)NCC1(C#N)CC1)[NH+]1CCOCC1 ZINC000518650129 390493808 /nfs/dbraw/zinc/49/38/08/390493808.db2.gz REANVDYIZCJSPL-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000564112187 390495107 /nfs/dbraw/zinc/49/51/07/390495107.db2.gz DXSOXCABPLQOTK-PWSUYJOCSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646035984 390579340 /nfs/dbraw/zinc/57/93/40/390579340.db2.gz ZQRQQCOTIKFCMX-CHWSQXEVSA-N 1 2 289.397 0.203 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646035984 390579344 /nfs/dbraw/zinc/57/93/44/390579344.db2.gz ZQRQQCOTIKFCMX-CHWSQXEVSA-N 1 2 289.397 0.203 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000527378103 390704914 /nfs/dbraw/zinc/70/49/14/390704914.db2.gz NHPHFMSXJKVDGN-LBPRGKRZSA-N 1 2 290.367 0.292 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000527378103 390704916 /nfs/dbraw/zinc/70/49/16/390704916.db2.gz NHPHFMSXJKVDGN-LBPRGKRZSA-N 1 2 290.367 0.292 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000568178881 390712223 /nfs/dbraw/zinc/71/22/23/390712223.db2.gz ZRFALNCXSCPVAY-GJZGRUSLSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000568178881 390712225 /nfs/dbraw/zinc/71/22/25/390712225.db2.gz ZRFALNCXSCPVAY-GJZGRUSLSA-N 1 2 292.383 0.395 20 30 CCEDLO N#Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)ccn1 ZINC000527271866 390699685 /nfs/dbraw/zinc/69/96/85/390699685.db2.gz XDCQEAODKKFJRB-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C=C[C@H](O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000646917954 390740637 /nfs/dbraw/zinc/74/06/37/390740637.db2.gz KGLFGEXHVKGQAO-LBPRGKRZSA-N 1 2 277.324 0.712 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000532327981 390879764 /nfs/dbraw/zinc/87/97/64/390879764.db2.gz JIROMYZPZRFDSC-MBHSVXNSSA-N 1 2 265.357 0.763 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000532327981 390879766 /nfs/dbraw/zinc/87/97/66/390879766.db2.gz JIROMYZPZRFDSC-MBHSVXNSSA-N 1 2 265.357 0.763 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)[N@H+](C)C1 ZINC000329188861 533281640 /nfs/dbraw/zinc/28/16/40/533281640.db2.gz PLYXBOKGTACZSV-UWVGGRQHSA-N 1 2 279.344 0.860 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)[N@@H+](C)C1 ZINC000329188861 533281646 /nfs/dbraw/zinc/28/16/46/533281646.db2.gz PLYXBOKGTACZSV-UWVGGRQHSA-N 1 2 279.344 0.860 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)[N@H+](C)C1 ZINC000329188861 533281652 /nfs/dbraw/zinc/28/16/52/533281652.db2.gz PLYXBOKGTACZSV-UWVGGRQHSA-N 1 2 279.344 0.860 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)[N@@H+](C)C1 ZINC000329188861 533281657 /nfs/dbraw/zinc/28/16/57/533281657.db2.gz PLYXBOKGTACZSV-UWVGGRQHSA-N 1 2 279.344 0.860 20 30 CCEDLO N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000960312016 649853275 /nfs/dbraw/zinc/85/32/75/649853275.db2.gz DYZBUPVGTAQCMD-GDBMZVCRSA-N 1 2 295.346 0.848 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000358710559 144174823 /nfs/dbraw/zinc/17/48/23/144174823.db2.gz FTFFLFLBJVJUII-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000358710559 144174824 /nfs/dbraw/zinc/17/48/24/144174824.db2.gz FTFFLFLBJVJUII-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO N#Cc1cnc(N2CCC[N@@H+](CC(N)=O)CC2)c(Cl)c1 ZINC000369385721 144266624 /nfs/dbraw/zinc/26/66/24/144266624.db2.gz MEYVFRUMMTXDHC-UHFFFAOYSA-N 1 2 293.758 0.604 20 30 CCEDLO N#Cc1cnc(N2CCC[N@H+](CC(N)=O)CC2)c(Cl)c1 ZINC000369385721 144266626 /nfs/dbraw/zinc/26/66/26/144266626.db2.gz MEYVFRUMMTXDHC-UHFFFAOYSA-N 1 2 293.758 0.604 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CCOC)CC2(C)C)C1=O ZINC000649851063 397674695 /nfs/dbraw/zinc/67/46/95/397674695.db2.gz KDSPDYASOOGZGN-CQSZACIVSA-N 1 2 295.427 0.816 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CCOC)CC2(C)C)C1=O ZINC000649851063 397674697 /nfs/dbraw/zinc/67/46/97/397674697.db2.gz KDSPDYASOOGZGN-CQSZACIVSA-N 1 2 295.427 0.816 20 30 CCEDLO CC#CCCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651040232 397811954 /nfs/dbraw/zinc/81/19/54/397811954.db2.gz JSQHWGJPQVNNMS-UHFFFAOYSA-N 1 2 297.399 0.390 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330281817 286046873 /nfs/dbraw/zinc/04/68/73/286046873.db2.gz UYKUHXYQTUCTKX-MNOVXSKESA-N 1 2 264.329 0.833 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)ncn1 ZINC000553262214 286187238 /nfs/dbraw/zinc/18/72/38/286187238.db2.gz LRVZQFBNRYKWCO-WCQYABFASA-N 1 2 273.340 0.648 20 30 CCEDLO COC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000007016640 170262289 /nfs/dbraw/zinc/26/22/89/170262289.db2.gz XZTWTJJOGQYHAO-OAHLLOKOSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@]2(C)CC)CC1 ZINC000490891136 411821389 /nfs/dbraw/zinc/82/13/89/411821389.db2.gz BIZDPNHPHVBHRE-INIZCTEOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@]2(C)CC)CC1 ZINC000490891136 411821390 /nfs/dbraw/zinc/82/13/90/411821390.db2.gz BIZDPNHPHVBHRE-INIZCTEOSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(CC)C2=O)C1=O ZINC000660463732 414338184 /nfs/dbraw/zinc/33/81/84/414338184.db2.gz GPJVJYOGKFYFDB-VXGBXAGGSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(CC)C2=O)C1=O ZINC000660463732 414338189 /nfs/dbraw/zinc/33/81/89/414338189.db2.gz GPJVJYOGKFYFDB-VXGBXAGGSA-N 1 2 265.357 0.326 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661552952 414641509 /nfs/dbraw/zinc/64/15/09/414641509.db2.gz RQHQRTJVVIKNKC-UTUOFQBUSA-N 1 2 265.357 0.904 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000354809078 287381546 /nfs/dbraw/zinc/38/15/46/287381546.db2.gz AYKARLISYOKUHD-YPMHNXCESA-N 1 2 253.346 0.451 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000354809078 287381547 /nfs/dbraw/zinc/38/15/47/287381547.db2.gz AYKARLISYOKUHD-YPMHNXCESA-N 1 2 253.346 0.451 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000347139192 226057162 /nfs/dbraw/zinc/05/71/62/226057162.db2.gz RJPDGPHJOAETOP-LLVKDONJSA-N 1 2 261.329 0.224 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331464720 228104579 /nfs/dbraw/zinc/10/45/79/228104579.db2.gz VLTVFJPYVAVLLM-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331464720 228104581 /nfs/dbraw/zinc/10/45/81/228104581.db2.gz VLTVFJPYVAVLLM-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO Cn1nccc1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330259945 228084046 /nfs/dbraw/zinc/08/40/46/228084046.db2.gz SKDRRDVAAJDRAR-SECBINFHSA-N 1 2 260.301 0.958 20 30 CCEDLO Cn1nccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330259945 228084048 /nfs/dbraw/zinc/08/40/48/228084048.db2.gz SKDRRDVAAJDRAR-SECBINFHSA-N 1 2 260.301 0.958 20 30 CCEDLO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000330264290 228084831 /nfs/dbraw/zinc/08/48/31/228084831.db2.gz XSNUNHTYSJVNFJ-JTQLQIEISA-N 1 2 289.339 0.376 20 30 CCEDLO C[C@@H](C(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000169819766 544733747 /nfs/dbraw/zinc/73/37/47/544733747.db2.gz CKBFVWXYOQJRNZ-LBPRGKRZSA-N 1 2 273.336 0.895 20 30 CCEDLO CC#CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190287853 544793924 /nfs/dbraw/zinc/79/39/24/544793924.db2.gz IRAXWQSGCVSDKU-UHFFFAOYSA-N 1 2 293.392 0.479 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000329574140 545023634 /nfs/dbraw/zinc/02/36/34/545023634.db2.gz NORIRQLDQDHQOP-BFHYXJOUSA-N 1 2 298.431 0.287 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000329574140 545023636 /nfs/dbraw/zinc/02/36/36/545023636.db2.gz NORIRQLDQDHQOP-BFHYXJOUSA-N 1 2 298.431 0.287 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349012309 545064888 /nfs/dbraw/zinc/06/48/88/545064888.db2.gz JAQJTBFESMVJNW-JTQLQIEISA-N 1 2 264.285 0.043 20 30 CCEDLO C=CCC1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCC1 ZINC000338215170 545052255 /nfs/dbraw/zinc/05/22/55/545052255.db2.gz KXBHQOTWZGSYRY-UHFFFAOYSA-N 1 2 296.411 0.886 20 30 CCEDLO CC[C@H](C(=O)N1CCOC[C@H]1C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000407995102 260158486 /nfs/dbraw/zinc/15/84/86/260158486.db2.gz GBKSVFIWFFBPTK-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@H](C(=O)N1CCOC[C@H]1C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000407995102 260158487 /nfs/dbraw/zinc/15/84/87/260158487.db2.gz GBKSVFIWFFBPTK-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000058498508 260227381 /nfs/dbraw/zinc/22/73/81/260227381.db2.gz RDFVOOPFESEATC-UHFFFAOYSA-N 1 2 291.355 0.455 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1(CC#N)CC1 ZINC000357689804 260280597 /nfs/dbraw/zinc/28/05/97/260280597.db2.gz DSYWAXZWQATBQT-UHFFFAOYSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CC[N@@H+](CCNS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000107299804 260286550 /nfs/dbraw/zinc/28/65/50/260286550.db2.gz FTGUMDNMVZOFMU-UHFFFAOYSA-N 1 2 284.356 0.810 20 30 CCEDLO C#CC[N@H+](CCNS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000107299804 260286551 /nfs/dbraw/zinc/28/65/51/260286551.db2.gz FTGUMDNMVZOFMU-UHFFFAOYSA-N 1 2 284.356 0.810 20 30 CCEDLO N#Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccn1 ZINC000526996875 269799648 /nfs/dbraw/zinc/79/96/48/269799648.db2.gz LAODQMSRRSEIDN-UHFFFAOYSA-N 1 2 253.265 0.847 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H](C)C#N ZINC000157640353 260852989 /nfs/dbraw/zinc/85/29/89/260852989.db2.gz WXEDKFNAWUHCCL-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H](C)C#N ZINC000157640353 260852990 /nfs/dbraw/zinc/85/29/90/260852990.db2.gz WXEDKFNAWUHCCL-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000490715284 261190116 /nfs/dbraw/zinc/19/01/16/261190116.db2.gz WHOUWNLJZLCFGY-SOUVJXGZSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000490715284 261190119 /nfs/dbraw/zinc/19/01/19/261190119.db2.gz WHOUWNLJZLCFGY-SOUVJXGZSA-N 1 2 293.411 0.262 20 30 CCEDLO C=CCN(CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000161749470 261259089 /nfs/dbraw/zinc/25/90/89/261259089.db2.gz SYJVFKKPZUXDJS-LBPRGKRZSA-N 1 2 269.370 0.558 20 30 CCEDLO N#CCCN(C[C@@H](O)C[NH+]1CCOCC1)CC1CC1 ZINC000177030622 261326420 /nfs/dbraw/zinc/32/64/20/261326420.db2.gz WDBWHTCVFYRXKB-AWEZNQCLSA-N 1 2 267.373 0.305 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491977738 262170660 /nfs/dbraw/zinc/17/06/60/262170660.db2.gz IQWAQPIVVRZPNQ-SNVBAGLBSA-N 1 2 255.343 0.693 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337201568 262433185 /nfs/dbraw/zinc/43/31/85/262433185.db2.gz DDINTXPGORAXHA-SNVBAGLBSA-N 1 2 285.706 0.742 20 30 CCEDLO N#CCc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000270539599 262989144 /nfs/dbraw/zinc/98/91/44/262989144.db2.gz PPQTUMLTJQPKRM-OAHLLOKOSA-N 1 2 284.363 0.482 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643247 263037598 /nfs/dbraw/zinc/03/75/98/263037598.db2.gz RAQWWMHDGNUKPS-TZMCWYRMSA-N 1 2 290.319 0.697 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643247 263037599 /nfs/dbraw/zinc/03/75/99/263037599.db2.gz RAQWWMHDGNUKPS-TZMCWYRMSA-N 1 2 290.319 0.697 20 30 CCEDLO CO/N=C/C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283514513 263083117 /nfs/dbraw/zinc/08/31/17/263083117.db2.gz SDXBAAQARWGKCD-NTEUORMPSA-N 1 2 263.301 0.066 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)n(C)n1 ZINC000284499783 263087073 /nfs/dbraw/zinc/08/70/73/263087073.db2.gz SUQZYXVTQOMPHL-VIFPVBQESA-N 1 2 281.316 0.135 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000293129578 263138059 /nfs/dbraw/zinc/13/80/59/263138059.db2.gz YVCWXBIMRCRZHS-SNVBAGLBSA-N 1 2 298.368 0.659 20 30 CCEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000045752997 263302850 /nfs/dbraw/zinc/30/28/50/263302850.db2.gz NKGGHLBLUGSCNC-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000045752997 263302851 /nfs/dbraw/zinc/30/28/51/263302851.db2.gz NKGGHLBLUGSCNC-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCO1 ZINC000120846703 263286555 /nfs/dbraw/zinc/28/65/55/263286555.db2.gz JRDGSEWFBVMMCE-ZDUSSCGKSA-N 1 2 281.356 0.240 20 30 CCEDLO COCC1(C#N)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000341334576 263332091 /nfs/dbraw/zinc/33/20/91/263332091.db2.gz KIJBDIVBYPGBMY-UHFFFAOYSA-N 1 2 291.355 0.845 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341705963 263347285 /nfs/dbraw/zinc/34/72/85/263347285.db2.gz LEKGMEPDFMSRKI-YJNKXOJESA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341705963 263347287 /nfs/dbraw/zinc/34/72/87/263347287.db2.gz LEKGMEPDFMSRKI-YJNKXOJESA-N 1 2 294.395 0.899 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960643439 649856686 /nfs/dbraw/zinc/85/66/86/649856686.db2.gz KTPVJRXUAGBHLE-CIQGVGRVSA-N 1 2 285.351 0.015 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330741535 264039012 /nfs/dbraw/zinc/03/90/12/264039012.db2.gz BJNHTKJMKZSGJB-SNVBAGLBSA-N 1 2 284.360 0.027 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330741535 264039014 /nfs/dbraw/zinc/03/90/14/264039014.db2.gz BJNHTKJMKZSGJB-SNVBAGLBSA-N 1 2 284.360 0.027 20 30 CCEDLO C[C@@H](O)CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330794032 264039945 /nfs/dbraw/zinc/03/99/45/264039945.db2.gz VVZHKIVUTIOCJM-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@@H](O)CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330794032 264039947 /nfs/dbraw/zinc/03/99/47/264039947.db2.gz VVZHKIVUTIOCJM-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330829443 264049757 /nfs/dbraw/zinc/04/97/57/264049757.db2.gz TYBCGVUAFOYRTD-AWEZNQCLSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330829443 264049759 /nfs/dbraw/zinc/04/97/59/264049759.db2.gz TYBCGVUAFOYRTD-AWEZNQCLSA-N 1 2 270.373 0.541 20 30 CCEDLO CC(C)(C)n1cnc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000330838102 264051983 /nfs/dbraw/zinc/05/19/83/264051983.db2.gz RZHAQNBSACVUCK-UHFFFAOYSA-N 1 2 263.305 0.704 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330857889 264054944 /nfs/dbraw/zinc/05/49/44/264054944.db2.gz UNKSLWHQMUCDDC-VXGBXAGGSA-N 1 2 285.413 0.404 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330857889 264054945 /nfs/dbraw/zinc/05/49/45/264054945.db2.gz UNKSLWHQMUCDDC-VXGBXAGGSA-N 1 2 285.413 0.404 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1CO ZINC000331064245 264111556 /nfs/dbraw/zinc/11/15/56/264111556.db2.gz WRPRVZWEJUNHDZ-QWHCGFSZSA-N 1 2 285.388 0.373 20 30 CCEDLO C=CCCS(=O)(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331175550 264154051 /nfs/dbraw/zinc/15/40/51/264154051.db2.gz KYNOKNZNPRDPMV-GFCCVEGCSA-N 1 2 298.412 0.994 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)cn1C ZINC000331180294 264155289 /nfs/dbraw/zinc/15/52/89/264155289.db2.gz RIOAXYRMUJMNCF-UHFFFAOYSA-N 1 2 276.340 0.453 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000331197973 264159315 /nfs/dbraw/zinc/15/93/15/264159315.db2.gz SYCMEECHEQYKIC-WDEREUQCSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000331197973 264159316 /nfs/dbraw/zinc/15/93/16/264159316.db2.gz SYCMEECHEQYKIC-WDEREUQCSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000331358565 264208118 /nfs/dbraw/zinc/20/81/18/264208118.db2.gz VIXCMWJOIQBYLC-LBPRGKRZSA-N 1 2 284.404 0.795 20 30 CCEDLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000331358565 264208120 /nfs/dbraw/zinc/20/81/20/264208120.db2.gz VIXCMWJOIQBYLC-LBPRGKRZSA-N 1 2 284.404 0.795 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000331362043 264210078 /nfs/dbraw/zinc/21/00/78/264210078.db2.gz ZTYYBXAHBQXRCT-LBPRGKRZSA-N 1 2 294.355 0.449 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000331362043 264210080 /nfs/dbraw/zinc/21/00/80/264210080.db2.gz ZTYYBXAHBQXRCT-LBPRGKRZSA-N 1 2 294.355 0.449 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000334047979 264227968 /nfs/dbraw/zinc/22/79/68/264227968.db2.gz MWICUGUISPTYGK-FZMZJTMJSA-N 1 2 295.387 0.044 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000334047979 264227969 /nfs/dbraw/zinc/22/79/69/264227969.db2.gz MWICUGUISPTYGK-FZMZJTMJSA-N 1 2 295.387 0.044 20 30 CCEDLO C#CCSCCNC(=O)NCCn1cc[nH+]c1 ZINC000160826249 264261797 /nfs/dbraw/zinc/26/17/97/264261797.db2.gz PFFSAWNJVFLPEI-UHFFFAOYSA-N 1 2 252.343 0.549 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000251862830 264296091 /nfs/dbraw/zinc/29/60/91/264296091.db2.gz OJTGDAQDJXOLGJ-UPJWGTAASA-N 1 2 283.372 0.483 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000251862830 264296093 /nfs/dbraw/zinc/29/60/93/264296093.db2.gz OJTGDAQDJXOLGJ-UPJWGTAASA-N 1 2 283.372 0.483 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000074535453 264312192 /nfs/dbraw/zinc/31/21/92/264312192.db2.gz BZMPAPFXVIDZKH-GFCCVEGCSA-N 1 2 291.355 0.973 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000130156469 264340539 /nfs/dbraw/zinc/34/05/39/264340539.db2.gz IJRQQHWPZRIHKU-CYBMUJFWSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000132453302 264390199 /nfs/dbraw/zinc/39/01/99/264390199.db2.gz IJJMVEVONKVHDH-NSHDSACASA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000132453302 264390200 /nfs/dbraw/zinc/39/02/00/264390200.db2.gz IJJMVEVONKVHDH-NSHDSACASA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000281144766 264468290 /nfs/dbraw/zinc/46/82/90/264468290.db2.gz ZMBPYHGJJWLVMS-LLVKDONJSA-N 1 2 290.367 0.312 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000281144766 264468291 /nfs/dbraw/zinc/46/82/91/264468291.db2.gz ZMBPYHGJJWLVMS-LLVKDONJSA-N 1 2 290.367 0.312 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCC(O)(C(=O)OCC)CC2)C1=O ZINC000282134132 264497093 /nfs/dbraw/zinc/49/70/93/264497093.db2.gz YYDLOYZXJBNVEP-LBPRGKRZSA-N 1 2 296.367 0.163 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353057905 266026304 /nfs/dbraw/zinc/02/63/04/266026304.db2.gz YISBTRFYMSSSBV-GXTWGEPZSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353057905 266026306 /nfs/dbraw/zinc/02/63/06/266026306.db2.gz YISBTRFYMSSSBV-GXTWGEPZSA-N 1 2 265.357 0.906 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000356841791 266185944 /nfs/dbraw/zinc/18/59/44/266185944.db2.gz UYEUEUXYSXSIAH-UPJWGTAASA-N 1 2 275.352 0.817 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000367708738 267112308 /nfs/dbraw/zinc/11/23/08/267112308.db2.gz RJQMBVJHXIOPNQ-YPMHNXCESA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000367708738 267112310 /nfs/dbraw/zinc/11/23/10/267112310.db2.gz RJQMBVJHXIOPNQ-YPMHNXCESA-N 1 2 295.383 0.888 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368225451 267153855 /nfs/dbraw/zinc/15/38/55/267153855.db2.gz WVANCRDZGBBYRS-CYBMUJFWSA-N 1 2 292.383 0.998 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368573142 267187495 /nfs/dbraw/zinc/18/74/95/267187495.db2.gz FLTPGJNAEOFVQJ-MRVPVSSYSA-N 1 2 254.302 0.431 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000369036624 267217690 /nfs/dbraw/zinc/21/76/90/267217690.db2.gz PKDBMXCFNXQUPK-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000369036624 267217694 /nfs/dbraw/zinc/21/76/94/267217694.db2.gz PKDBMXCFNXQUPK-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(C#N)nc1 ZINC000527974395 267693943 /nfs/dbraw/zinc/69/39/43/267693943.db2.gz WLOCZUCCLLDEBD-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO Cc1cc(N[C@@H]2CCc3nnnn3CC2)c(C#N)c[nH+]1 ZINC000333324231 278623199 /nfs/dbraw/zinc/62/31/99/278623199.db2.gz BNZMTGWACTVCHU-LLVKDONJSA-N 1 2 269.312 0.487 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091207 288101664 /nfs/dbraw/zinc/10/16/64/288101664.db2.gz DGCZCPQYSXPLNO-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091207 288101665 /nfs/dbraw/zinc/10/16/65/288101665.db2.gz DGCZCPQYSXPLNO-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1C ZINC000329803200 280292011 /nfs/dbraw/zinc/29/20/11/280292011.db2.gz ZNQPBPYUZDBMSN-VIFPVBQESA-N 1 2 274.328 0.757 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1C ZINC000329803200 280292014 /nfs/dbraw/zinc/29/20/14/280292014.db2.gz ZNQPBPYUZDBMSN-VIFPVBQESA-N 1 2 274.328 0.757 20 30 CCEDLO CC(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(N)=O ZINC000115599764 280331934 /nfs/dbraw/zinc/33/19/34/280331934.db2.gz QDSQDOZXQACXCI-NWDGAFQWSA-N 1 2 274.324 0.184 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CCN(CC[S@](C)=O)CC1 ZINC000760854782 581876204 /nfs/dbraw/zinc/87/62/04/581876204.db2.gz MZPZKIVPPHSHJA-ACJLOTCBSA-N 1 2 274.430 0.310 20 30 CCEDLO C=CCC[C@@H](O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000760854782 581876206 /nfs/dbraw/zinc/87/62/06/581876206.db2.gz MZPZKIVPPHSHJA-ACJLOTCBSA-N 1 2 274.430 0.310 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3C#N)C[C@@H]21 ZINC000329656875 290087974 /nfs/dbraw/zinc/08/79/74/290087974.db2.gz MSWNVDMZDXGLTK-QNWHQSFQSA-N 1 2 278.356 0.607 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3C#N)C[C@@H]21 ZINC000329656875 290087979 /nfs/dbraw/zinc/08/79/79/290087979.db2.gz MSWNVDMZDXGLTK-QNWHQSFQSA-N 1 2 278.356 0.607 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000329945715 302355453 /nfs/dbraw/zinc/35/54/53/302355453.db2.gz FYVXSLJTPUOEOC-UWVGGRQHSA-N 1 2 266.301 0.543 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000329945715 302355454 /nfs/dbraw/zinc/35/54/54/302355454.db2.gz FYVXSLJTPUOEOC-UWVGGRQHSA-N 1 2 266.301 0.543 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)C#N ZINC000186416654 327690717 /nfs/dbraw/zinc/69/07/17/327690717.db2.gz IFEJCIDWMSLWGC-SECBINFHSA-N 1 2 250.302 0.846 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000376121546 327713800 /nfs/dbraw/zinc/71/38/00/327713800.db2.gz YTTPNUBFZZOZPT-AAEUAGOBSA-N 1 2 250.346 0.042 20 30 CCEDLO CCC(=O)N1CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220995 327979785 /nfs/dbraw/zinc/97/97/85/327979785.db2.gz YGVJDSUZZJQLEL-RISCZKNCSA-N 1 2 280.372 0.205 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000535033763 328377976 /nfs/dbraw/zinc/37/79/76/328377976.db2.gz BLSGEYSKZVWRBV-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000535033763 328377977 /nfs/dbraw/zinc/37/79/77/328377977.db2.gz BLSGEYSKZVWRBV-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122551736 328396527 /nfs/dbraw/zinc/39/65/27/328396527.db2.gz WCZSOPYSEOHHBR-AGIUHOORSA-N 1 2 297.399 0.374 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122551736 328396528 /nfs/dbraw/zinc/39/65/28/328396528.db2.gz WCZSOPYSEOHHBR-AGIUHOORSA-N 1 2 297.399 0.374 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340742274 328399223 /nfs/dbraw/zinc/39/92/23/328399223.db2.gz KPYVLCZANXVSHA-VXGBXAGGSA-N 1 2 266.345 0.755 20 30 CCEDLO CN(CCO)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000330588937 328463966 /nfs/dbraw/zinc/46/39/66/328463966.db2.gz PBZDGWFKCHTJMI-UHFFFAOYSA-N 1 2 294.355 0.256 20 30 CCEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000289577323 328527394 /nfs/dbraw/zinc/52/73/94/328527394.db2.gz QXRPHRREHKYUNF-UHFFFAOYSA-N 1 2 284.385 0.682 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000292226134 328535733 /nfs/dbraw/zinc/53/57/33/328535733.db2.gz DMPDOYZILAPSBT-NSHDSACASA-N 1 2 264.329 0.730 20 30 CCEDLO Cc1cc(N2CCN(S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000399545286 326807389 /nfs/dbraw/zinc/80/73/89/326807389.db2.gz ZQUWPQPDCZQBHM-UHFFFAOYSA-N 1 2 280.353 0.343 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@@H]1CCOC1 ZINC000558898696 327130417 /nfs/dbraw/zinc/13/04/17/327130417.db2.gz LUUNDHOVPHNCIE-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000560463932 327310288 /nfs/dbraw/zinc/31/02/88/327310288.db2.gz IYYPREROOBXTNC-UHFFFAOYSA-N 1 2 277.372 0.860 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000560463932 327310289 /nfs/dbraw/zinc/31/02/89/327310289.db2.gz IYYPREROOBXTNC-UHFFFAOYSA-N 1 2 277.372 0.860 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000560485049 327313172 /nfs/dbraw/zinc/31/31/72/327313172.db2.gz ROEAPRCCKLNXQO-WDEREUQCSA-N 1 2 278.356 0.100 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000560485049 327313173 /nfs/dbraw/zinc/31/31/73/327313173.db2.gz ROEAPRCCKLNXQO-WDEREUQCSA-N 1 2 278.356 0.100 20 30 CCEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCC#CCO)C(F)(F)F ZINC000566458585 327376224 /nfs/dbraw/zinc/37/62/24/327376224.db2.gz QNGQUAUGLRIZKJ-VIFPVBQESA-N 1 2 289.257 0.568 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000375640650 329004917 /nfs/dbraw/zinc/00/49/17/329004917.db2.gz KKCUSSHXRSRYTQ-OAHLLOKOSA-N 1 2 294.399 0.597 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000375640650 329004918 /nfs/dbraw/zinc/00/49/18/329004918.db2.gz KKCUSSHXRSRYTQ-OAHLLOKOSA-N 1 2 294.399 0.597 20 30 CCEDLO C=CCOCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000173004257 329142073 /nfs/dbraw/zinc/14/20/73/329142073.db2.gz CYQOWHYGXKYHLV-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=CC[N@@H+](CCOCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000175660584 329167707 /nfs/dbraw/zinc/16/77/07/329167707.db2.gz FNVGLFQMAHXIJX-GFCCVEGCSA-N 1 2 277.386 0.325 20 30 CCEDLO C=CC[N@H+](CCOCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000175660584 329167708 /nfs/dbraw/zinc/16/77/08/329167708.db2.gz FNVGLFQMAHXIJX-GFCCVEGCSA-N 1 2 277.386 0.325 20 30 CCEDLO CC(C)CCN(CCC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000177031945 329178428 /nfs/dbraw/zinc/17/84/28/329178428.db2.gz IOPXUEAXBREHHS-HNNXBMFYSA-N 1 2 283.416 0.941 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183752554 329249964 /nfs/dbraw/zinc/24/99/64/329249964.db2.gz ORGJWQLIIRQIHT-ZDUSSCGKSA-N 1 2 270.398 0.946 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183752554 329249965 /nfs/dbraw/zinc/24/99/65/329249965.db2.gz ORGJWQLIIRQIHT-ZDUSSCGKSA-N 1 2 270.398 0.946 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1C(N)=O ZINC000583087572 329308549 /nfs/dbraw/zinc/30/85/49/329308549.db2.gz BGBDYBUOVLWQDZ-JTQLQIEISA-N 1 2 295.314 0.510 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1C(N)=O ZINC000583087572 329308551 /nfs/dbraw/zinc/30/85/51/329308551.db2.gz BGBDYBUOVLWQDZ-JTQLQIEISA-N 1 2 295.314 0.510 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000189595857 329383878 /nfs/dbraw/zinc/38/38/78/329383878.db2.gz OKEVWEDGKSNQCS-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000057907765 330381119 /nfs/dbraw/zinc/38/11/19/330381119.db2.gz ZRUOPTQOGOEZHM-UHFFFAOYSA-N 1 2 278.356 0.990 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000424589193 330391948 /nfs/dbraw/zinc/39/19/48/330391948.db2.gz JLRAGMWMJQCUJL-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO CC#CCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434376454 330638528 /nfs/dbraw/zinc/63/85/28/330638528.db2.gz DLGYMEORRSJAND-ZDUSSCGKSA-N 1 2 267.373 0.762 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000451202641 331020561 /nfs/dbraw/zinc/02/05/61/331020561.db2.gz XRQPMVONHOCQNL-UONOGXRCSA-N 1 2 296.390 0.723 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000451202641 331020562 /nfs/dbraw/zinc/02/05/62/331020562.db2.gz XRQPMVONHOCQNL-UONOGXRCSA-N 1 2 296.390 0.723 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000451289358 331023243 /nfs/dbraw/zinc/02/32/43/331023243.db2.gz VVJQVUAZXJFCQA-MJBXVCDLSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451740711 331040791 /nfs/dbraw/zinc/04/07/91/331040791.db2.gz YZXMJXLPZGQVHD-SNVBAGLBSA-N 1 2 279.340 0.882 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451740711 331040792 /nfs/dbraw/zinc/04/07/92/331040792.db2.gz YZXMJXLPZGQVHD-SNVBAGLBSA-N 1 2 279.340 0.882 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451882898 331046183 /nfs/dbraw/zinc/04/61/83/331046183.db2.gz ANVLKOJVLCAPEG-TXEJJXNPSA-N 1 2 274.386 0.345 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451882898 331046184 /nfs/dbraw/zinc/04/61/84/331046184.db2.gz ANVLKOJVLCAPEG-TXEJJXNPSA-N 1 2 274.386 0.345 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452099702 331054158 /nfs/dbraw/zinc/05/41/58/331054158.db2.gz CZQJZZLIUVJRLV-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452099702 331054159 /nfs/dbraw/zinc/05/41/59/331054159.db2.gz CZQJZZLIUVJRLV-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000195314359 331168918 /nfs/dbraw/zinc/16/89/18/331168918.db2.gz PIUGDTCWWSPLFO-TXEJJXNPSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478925009 331717353 /nfs/dbraw/zinc/71/73/53/331717353.db2.gz BWLLQHPPKAUZMY-AWEZNQCLSA-N 1 2 298.383 0.139 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(C(C)(C)C)ccc2=O)CC1 ZINC000490604684 332094827 /nfs/dbraw/zinc/09/48/27/332094827.db2.gz LHDUXEKRNDGAQP-UHFFFAOYSA-N 1 2 288.395 0.749 20 30 CCEDLO C#CC[N@@H+](CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490739077 332110075 /nfs/dbraw/zinc/11/00/75/332110075.db2.gz GHMYVBUHBIODQH-JTQLQIEISA-N 1 2 281.324 0.390 20 30 CCEDLO C#CC[N@H+](CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490739077 332110076 /nfs/dbraw/zinc/11/00/76/332110076.db2.gz GHMYVBUHBIODQH-JTQLQIEISA-N 1 2 281.324 0.390 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccon2)CC1 ZINC000490939150 332131465 /nfs/dbraw/zinc/13/14/65/332131465.db2.gz ZTOFMKCIVVVHMK-GFCCVEGCSA-N 1 2 276.340 0.103 20 30 CCEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC(=O)NC)no1 ZINC000491209388 332166222 /nfs/dbraw/zinc/16/62/22/332166222.db2.gz GLNKWLAYFRLSFV-UHFFFAOYSA-N 1 2 250.302 0.202 20 30 CCEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC(=O)NC)no1 ZINC000491209388 332166223 /nfs/dbraw/zinc/16/62/23/332166223.db2.gz GLNKWLAYFRLSFV-UHFFFAOYSA-N 1 2 250.302 0.202 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491220107 332168362 /nfs/dbraw/zinc/16/83/62/332168362.db2.gz KIZMNUJIZRVCQZ-BFHYXJOUSA-N 1 2 279.384 0.903 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC=C)CC1 ZINC000491309573 332187666 /nfs/dbraw/zinc/18/76/66/332187666.db2.gz ZWVQFUXFCKISSZ-UHFFFAOYSA-N 1 2 259.357 0.782 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491543442 332233819 /nfs/dbraw/zinc/23/38/19/332233819.db2.gz GWTIEOBTWIIJNR-CYBMUJFWSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491543442 332233820 /nfs/dbraw/zinc/23/38/20/332233820.db2.gz GWTIEOBTWIIJNR-CYBMUJFWSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000491635438 332256628 /nfs/dbraw/zinc/25/66/28/332256628.db2.gz VAFPUIFOZXPNFY-MFKMUULPSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000491635438 332256629 /nfs/dbraw/zinc/25/66/29/332256629.db2.gz VAFPUIFOZXPNFY-MFKMUULPSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000491656439 332268317 /nfs/dbraw/zinc/26/83/17/332268317.db2.gz BIFQAIOGNIVWRD-LBPRGKRZSA-N 1 2 262.313 0.317 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000491690335 332287389 /nfs/dbraw/zinc/28/73/89/332287389.db2.gz BASFHIRGFRFQDX-CHWSQXEVSA-N 1 2 265.309 0.491 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000491690335 332287391 /nfs/dbraw/zinc/28/73/91/332287391.db2.gz BASFHIRGFRFQDX-CHWSQXEVSA-N 1 2 265.309 0.491 20 30 CCEDLO C#CCn1ccc(CN(CCOC)CCn2cc[nH+]c2)n1 ZINC000491699132 332294200 /nfs/dbraw/zinc/29/42/00/332294200.db2.gz ILTHPUURWAIXCD-UHFFFAOYSA-N 1 2 287.367 0.861 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701307 332295785 /nfs/dbraw/zinc/29/57/85/332295785.db2.gz FWZNAEASYRIJTK-NEPJUHHUSA-N 1 2 265.309 0.556 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701307 332295786 /nfs/dbraw/zinc/29/57/86/332295786.db2.gz FWZNAEASYRIJTK-NEPJUHHUSA-N 1 2 265.309 0.556 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491705110 332298176 /nfs/dbraw/zinc/29/81/76/332298176.db2.gz CFSAZDCBBBQLEG-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CC[N@@H+](C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491708473 332300799 /nfs/dbraw/zinc/30/07/99/332300799.db2.gz NDLHVXQVWGXYNT-RYUDHWBXSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@H+](C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491708473 332300800 /nfs/dbraw/zinc/30/08/00/332300800.db2.gz NDLHVXQVWGXYNT-RYUDHWBXSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491711045 332302645 /nfs/dbraw/zinc/30/26/45/332302645.db2.gz SVELXEOUUIOBPH-UHFFFAOYSA-N 1 2 294.314 0.758 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491715312 332305509 /nfs/dbraw/zinc/30/55/09/332305509.db2.gz PHBCYYMRNGRJCJ-TUAOUCFPSA-N 1 2 274.324 0.933 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491744385 332322253 /nfs/dbraw/zinc/32/22/53/332322253.db2.gz ZCQYJLWKAUEGBB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491744385 332322254 /nfs/dbraw/zinc/32/22/54/332322254.db2.gz ZCQYJLWKAUEGBB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCCO3)n2C)CC1 ZINC000491753903 332329236 /nfs/dbraw/zinc/32/92/36/332329236.db2.gz QLQIQVNXVPNYAD-HNNXBMFYSA-N 1 2 289.383 0.596 20 30 CCEDLO C#CC[N@@H+](Cc1cn(CC(=O)OC)nn1)C1CCCC1 ZINC000491760116 332331322 /nfs/dbraw/zinc/33/13/22/332331322.db2.gz PGHIJQLLZUSIIA-UHFFFAOYSA-N 1 2 276.340 0.829 20 30 CCEDLO C#CC[N@H+](Cc1cn(CC(=O)OC)nn1)C1CCCC1 ZINC000491760116 332331323 /nfs/dbraw/zinc/33/13/23/332331323.db2.gz PGHIJQLLZUSIIA-UHFFFAOYSA-N 1 2 276.340 0.829 20 30 CCEDLO C#C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000491776807 332342042 /nfs/dbraw/zinc/34/20/42/332342042.db2.gz CQJAJDPOALYEEL-LLVKDONJSA-N 1 2 253.323 0.044 20 30 CCEDLO C#CCNC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000491788071 332350264 /nfs/dbraw/zinc/35/02/64/332350264.db2.gz YTHJFZAZEGOJPP-ZDUSSCGKSA-N 1 2 281.400 0.167 20 30 CCEDLO C#CCNC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000491788071 332350265 /nfs/dbraw/zinc/35/02/65/332350265.db2.gz YTHJFZAZEGOJPP-ZDUSSCGKSA-N 1 2 281.400 0.167 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\C1CCOCC1 ZINC000493060645 332424831 /nfs/dbraw/zinc/42/48/31/332424831.db2.gz YLYFALDLDHSUPG-ZRUQZJFASA-N 1 2 265.357 0.929 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cnccn1 ZINC000493809288 332454908 /nfs/dbraw/zinc/45/49/08/332454908.db2.gz HFXGNXPCGJATNW-ZFDPJTLLSA-N 1 2 259.313 0.450 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000516980035 333088758 /nfs/dbraw/zinc/08/87/58/333088758.db2.gz VCEBCSCLHNVLMT-CABCVRRESA-N 1 2 290.367 0.149 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000516980035 333088760 /nfs/dbraw/zinc/08/87/60/333088760.db2.gz VCEBCSCLHNVLMT-CABCVRRESA-N 1 2 290.367 0.149 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190134651 333203440 /nfs/dbraw/zinc/20/34/40/333203440.db2.gz XSTAZDRELMELIG-MELADBBJSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190134651 333203442 /nfs/dbraw/zinc/20/34/42/333203442.db2.gz XSTAZDRELMELIG-MELADBBJSA-N 1 2 282.384 0.657 20 30 CCEDLO N#CC1(CS(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC000542907453 333849014 /nfs/dbraw/zinc/84/90/14/333849014.db2.gz UIHKPXKNRRFXAP-UHFFFAOYSA-N 1 2 254.315 0.106 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000543543754 333879782 /nfs/dbraw/zinc/87/97/82/333879782.db2.gz NUDPUFDMOQKKSE-JGVFFNPUSA-N 1 2 281.316 0.429 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCOCCC(C)C ZINC000076185967 334076039 /nfs/dbraw/zinc/07/60/39/334076039.db2.gz YUOQKQHKGPHRII-UHFFFAOYSA-N 1 2 264.369 0.734 20 30 CCEDLO C[C@H](NC(=O)C1(C#N)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000134853909 334105770 /nfs/dbraw/zinc/10/57/70/334105770.db2.gz YKLPMGGZHBAQSF-RYUDHWBXSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H](NC(=O)C1(C#N)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000134853927 334105862 /nfs/dbraw/zinc/10/58/62/334105862.db2.gz YKLPMGGZHBAQSF-NEPJUHHUSA-N 1 2 265.357 0.906 20 30 CCEDLO CNc1[nH+]cnc2c1cnn2CC(=O)NC1(C#N)CCC1 ZINC000576928395 335264881 /nfs/dbraw/zinc/26/48/81/335264881.db2.gz JBPUIVGWGKHWDW-UHFFFAOYSA-N 1 2 285.311 0.430 20 30 CCEDLO COC(=O)c1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581947049 336174828 /nfs/dbraw/zinc/17/48/28/336174828.db2.gz LBFJZBKEUHCNOV-CQSZACIVSA-N 1 2 290.323 0.442 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387911 336193246 /nfs/dbraw/zinc/19/32/46/336193246.db2.gz ZJMPCGOGIQLRAB-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387911 336193248 /nfs/dbraw/zinc/19/32/48/336193248.db2.gz ZJMPCGOGIQLRAB-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450311583 534028593 /nfs/dbraw/zinc/02/85/93/534028593.db2.gz DOMPFOFPEOUVGY-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450311583 534028600 /nfs/dbraw/zinc/02/86/00/534028600.db2.gz DOMPFOFPEOUVGY-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+](CCO)Cc2cccnc2)CCC1 ZINC000347076624 534569469 /nfs/dbraw/zinc/56/94/69/534569469.db2.gz NVJUOGZFIGZWTE-UHFFFAOYSA-N 1 2 288.351 0.438 20 30 CCEDLO N#CC1(NC(=O)C[N@H+](CCO)Cc2cccnc2)CCC1 ZINC000347076624 534569473 /nfs/dbraw/zinc/56/94/73/534569473.db2.gz NVJUOGZFIGZWTE-UHFFFAOYSA-N 1 2 288.351 0.438 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000155753569 522241071 /nfs/dbraw/zinc/24/10/71/522241071.db2.gz GSVPFRAZISTSKI-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000155753569 522241080 /nfs/dbraw/zinc/24/10/80/522241080.db2.gz GSVPFRAZISTSKI-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000575473496 545102313 /nfs/dbraw/zinc/10/23/13/545102313.db2.gz ADKSGSRUQLTGMX-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000575473496 545102314 /nfs/dbraw/zinc/10/23/14/545102314.db2.gz ADKSGSRUQLTGMX-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1nc(C#N)cs1 ZINC000309327691 524608578 /nfs/dbraw/zinc/60/85/78/524608578.db2.gz GYHZWSMQAOERKC-SSDOTTSWSA-N 1 2 259.356 0.537 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000340316439 524891798 /nfs/dbraw/zinc/89/17/98/524891798.db2.gz GETANQXVYUDHJL-SECBINFHSA-N 1 2 292.364 0.721 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000340316439 524891807 /nfs/dbraw/zinc/89/18/07/524891807.db2.gz GETANQXVYUDHJL-SECBINFHSA-N 1 2 292.364 0.721 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335979083 526510012 /nfs/dbraw/zinc/51/00/12/526510012.db2.gz IZDKZHKKQJHJLW-RYUDHWBXSA-N 1 2 263.341 0.080 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000335979083 526510018 /nfs/dbraw/zinc/51/00/18/526510018.db2.gz IZDKZHKKQJHJLW-RYUDHWBXSA-N 1 2 263.341 0.080 20 30 CCEDLO C=CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334613499 526585446 /nfs/dbraw/zinc/58/54/46/526585446.db2.gz PFCFSRWLJROKNN-VXGBXAGGSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000354914766 526703700 /nfs/dbraw/zinc/70/37/00/526703700.db2.gz QQOWASRCYWULMO-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000354914766 526703702 /nfs/dbraw/zinc/70/37/02/526703702.db2.gz QQOWASRCYWULMO-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000332225527 527071063 /nfs/dbraw/zinc/07/10/63/527071063.db2.gz YZVZIQKPQCQZFF-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C[C@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356097843 527569955 /nfs/dbraw/zinc/56/99/55/527569955.db2.gz MPQOFZGYSSSTKV-VIFPVBQESA-N 1 2 258.347 0.202 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000356053581 527631889 /nfs/dbraw/zinc/63/18/89/527631889.db2.gz KVYDCZBKOIXEGQ-JSGCOSHPSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000356053581 527631892 /nfs/dbraw/zinc/63/18/92/527631892.db2.gz KVYDCZBKOIXEGQ-JSGCOSHPSA-N 1 2 270.373 0.541 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000329044924 527716127 /nfs/dbraw/zinc/71/61/27/527716127.db2.gz JGHQZAMAXWGHMB-QWHCGFSZSA-N 1 2 285.388 0.384 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC000329153711 527871846 /nfs/dbraw/zinc/87/18/46/527871846.db2.gz BCGZTGUCWUZNAX-GHMZBOCLSA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC000329153711 527871851 /nfs/dbraw/zinc/87/18/51/527871851.db2.gz BCGZTGUCWUZNAX-GHMZBOCLSA-N 1 2 290.385 0.241 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796531 528647669 /nfs/dbraw/zinc/64/76/69/528647669.db2.gz WECPQPZFGRYGQG-VHSXEESVSA-N 1 2 266.345 0.845 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796531 528647673 /nfs/dbraw/zinc/64/76/73/528647673.db2.gz WECPQPZFGRYGQG-VHSXEESVSA-N 1 2 266.345 0.845 20 30 CCEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NO)CC2)cc1 ZINC000671996662 545261606 /nfs/dbraw/zinc/26/16/06/545261606.db2.gz UVLXIJRGPLWBMY-LLVKDONJSA-N 1 2 279.340 0.711 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000679483553 545410309 /nfs/dbraw/zinc/41/03/09/545410309.db2.gz VZPKGENGZMBFSF-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1ncnn1CC(F)F ZINC000683804122 545565968 /nfs/dbraw/zinc/56/59/68/545565968.db2.gz HMUBOVHUJHRTMT-VIFPVBQESA-N 1 2 260.288 0.912 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000683804122 545565972 /nfs/dbraw/zinc/56/59/72/545565972.db2.gz HMUBOVHUJHRTMT-VIFPVBQESA-N 1 2 260.288 0.912 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000790021994 581172051 /nfs/dbraw/zinc/17/20/51/581172051.db2.gz WLPJJESBZWRKDF-UHFFFAOYSA-N 1 2 291.442 0.504 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)nc2)CC1 ZINC000779147564 581175877 /nfs/dbraw/zinc/17/58/77/581175877.db2.gz BHGOGVQIWCWUML-UHFFFAOYSA-N 1 2 292.358 0.641 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790163 581251160 /nfs/dbraw/zinc/25/11/60/581251160.db2.gz AOBIITGZTNOBDG-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790163 581251161 /nfs/dbraw/zinc/25/11/61/581251161.db2.gz AOBIITGZTNOBDG-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000781932593 581281095 /nfs/dbraw/zinc/28/10/95/581281095.db2.gz ANAXVFJCZZOMFD-GHMZBOCLSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000781932593 581281097 /nfs/dbraw/zinc/28/10/97/581281097.db2.gz ANAXVFJCZZOMFD-GHMZBOCLSA-N 1 2 254.334 0.166 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000782055731 581286486 /nfs/dbraw/zinc/28/64/86/581286486.db2.gz BSZKTMPOYKOIDP-LLVKDONJSA-N 1 2 268.263 0.337 20 30 CCEDLO N#CCCNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000782063980 581286723 /nfs/dbraw/zinc/28/67/23/581286723.db2.gz ZJMKZIHNHCOIGS-LLVKDONJSA-N 1 2 283.278 0.618 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000793492704 581300662 /nfs/dbraw/zinc/30/06/62/581300662.db2.gz GMWRKSWGGDODKW-UHFFFAOYSA-N 1 2 282.347 0.883 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3cccc(C#N)c3=O)C[C@@H]21 ZINC000793646094 581306457 /nfs/dbraw/zinc/30/64/57/581306457.db2.gz IHJSZXGGZQRYQN-GDNZZTSVSA-N 1 2 273.292 0.028 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cccc(C#N)c3=O)C[C@@H]21 ZINC000793646094 581306458 /nfs/dbraw/zinc/30/64/58/581306458.db2.gz IHJSZXGGZQRYQN-GDNZZTSVSA-N 1 2 273.292 0.028 20 30 CCEDLO Cn1c(CC#N)nnc1SCC[NH+]1CCOCC1 ZINC000794471648 581371090 /nfs/dbraw/zinc/37/10/90/581371090.db2.gz HGIWKNKDJZZIAH-UHFFFAOYSA-N 1 2 267.358 0.305 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784229357 581376566 /nfs/dbraw/zinc/37/65/66/581376566.db2.gz UHSHOPBQCMPMAZ-NSHDSACASA-N 1 2 279.340 0.576 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784229357 581376568 /nfs/dbraw/zinc/37/65/68/581376568.db2.gz UHSHOPBQCMPMAZ-NSHDSACASA-N 1 2 279.340 0.576 20 30 CCEDLO C#CCOCCNC(=O)NCCNc1cccc[nH+]1 ZINC000784555393 581388655 /nfs/dbraw/zinc/38/86/55/581388655.db2.gz FSEDEJBYRXDWNE-UHFFFAOYSA-N 1 2 262.313 0.443 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]21 ZINC000794970282 581393302 /nfs/dbraw/zinc/39/33/02/581393302.db2.gz YAWQBTLFLUOEAO-MDHDOXDCSA-N 1 2 293.367 0.392 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]21 ZINC000794970282 581393303 /nfs/dbraw/zinc/39/33/03/581393303.db2.gz YAWQBTLFLUOEAO-MDHDOXDCSA-N 1 2 293.367 0.392 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)CC1 ZINC000786159040 581432403 /nfs/dbraw/zinc/43/24/03/581432403.db2.gz KNPGQQRUMWQSGM-GOSISDBHSA-N 1 2 298.386 0.684 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(COC)CCC2)CC1 ZINC000786159089 581432493 /nfs/dbraw/zinc/43/24/93/581432493.db2.gz LYIZUHDQIQBFHF-UHFFFAOYSA-N 1 2 250.342 0.581 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC)nc2)CC1 ZINC000796431278 581440443 /nfs/dbraw/zinc/44/04/43/581440443.db2.gz VHHPJDFYFKQELX-UHFFFAOYSA-N 1 2 258.325 0.514 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCCO1 ZINC000787300903 581466605 /nfs/dbraw/zinc/46/66/05/581466605.db2.gz XLRPEXTUZOQSTL-RWMBFGLXSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000787637421 581474624 /nfs/dbraw/zinc/47/46/24/581474624.db2.gz ZKKYEGNFXUSMJF-UHFFFAOYSA-N 1 2 288.351 0.293 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752092967 581538537 /nfs/dbraw/zinc/53/85/37/581538537.db2.gz NGILEDSKJJFRFN-UONOGXRCSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752092967 581538542 /nfs/dbraw/zinc/53/85/42/581538542.db2.gz NGILEDSKJJFRFN-UONOGXRCSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000753943582 581566155 /nfs/dbraw/zinc/56/61/55/581566155.db2.gz MPQXZWRIBCMHTN-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO COC[C@H]([NH2+]CC(=O)NCCC#N)c1ccc(C)o1 ZINC000754349510 581586896 /nfs/dbraw/zinc/58/68/96/581586896.db2.gz YOQNMWBWNUZYLZ-NSHDSACASA-N 1 2 265.313 0.895 20 30 CCEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000767525393 581616700 /nfs/dbraw/zinc/61/67/00/581616700.db2.gz YMZVXQUIWPVAFA-UHFFFAOYSA-N 1 2 289.335 0.225 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)NCCC#N)c(N(C)C)[nH+]1 ZINC000787595977 581638528 /nfs/dbraw/zinc/63/85/28/581638528.db2.gz IKJNHOKBVJEGKT-UHFFFAOYSA-N 1 2 275.312 0.424 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000730099050 581645146 /nfs/dbraw/zinc/64/51/46/581645146.db2.gz YABWIWQMDXSMTN-RYUDHWBXSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000730099050 581645149 /nfs/dbraw/zinc/64/51/49/581645149.db2.gz YABWIWQMDXSMTN-RYUDHWBXSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000730283105 581691273 /nfs/dbraw/zinc/69/12/73/581691273.db2.gz OXBLNHJADRJASW-XQQFMLRXSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000730283105 581691277 /nfs/dbraw/zinc/69/12/77/581691277.db2.gz OXBLNHJADRJASW-XQQFMLRXSA-N 1 2 279.384 0.503 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)CC)CC(=O)OCC ZINC000769933818 581714044 /nfs/dbraw/zinc/71/40/44/581714044.db2.gz PFMMDKZTOJUOOM-UHFFFAOYSA-N 1 2 256.346 0.906 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)CC)CC(=O)OCC ZINC000769933818 581714046 /nfs/dbraw/zinc/71/40/46/581714046.db2.gz PFMMDKZTOJUOOM-UHFFFAOYSA-N 1 2 256.346 0.906 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758189385 581725829 /nfs/dbraw/zinc/72/58/29/581725829.db2.gz IYMNCKVDZNETCS-NSHDSACASA-N 1 2 275.308 0.481 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758189385 581725831 /nfs/dbraw/zinc/72/58/31/581725831.db2.gz IYMNCKVDZNETCS-NSHDSACASA-N 1 2 275.308 0.481 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCOC3(CCC3)C2)c1=O ZINC000758247528 581731716 /nfs/dbraw/zinc/73/17/16/581731716.db2.gz ILFCPWMDGULEBL-UHFFFAOYSA-N 1 2 259.309 0.932 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCOC3(CCC3)C2)c1=O ZINC000758247528 581731720 /nfs/dbraw/zinc/73/17/20/581731720.db2.gz ILFCPWMDGULEBL-UHFFFAOYSA-N 1 2 259.309 0.932 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770666048 581760118 /nfs/dbraw/zinc/76/01/18/581760118.db2.gz RJRNYDRLPXQVSR-IHRRRGAJSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770666048 581760120 /nfs/dbraw/zinc/76/01/20/581760120.db2.gz RJRNYDRLPXQVSR-IHRRRGAJSA-N 1 2 290.319 0.200 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000741747705 581761225 /nfs/dbraw/zinc/76/12/25/581761225.db2.gz FWJVAQOTCXAYNE-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO S=C(NCC[NH+]1CCOCC1)NN=CC1CCCC1 ZINC000741836978 581763903 /nfs/dbraw/zinc/76/39/03/581763903.db2.gz KHKRDSNVNFDNBM-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCOC)Cc1cccnc1 ZINC000759456047 581799627 /nfs/dbraw/zinc/79/96/27/581799627.db2.gz NGVSELJQCHJOIZ-UHFFFAOYSA-N 1 2 261.325 0.279 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCOC)Cc1cccnc1 ZINC000759456047 581799630 /nfs/dbraw/zinc/79/96/30/581799630.db2.gz NGVSELJQCHJOIZ-UHFFFAOYSA-N 1 2 261.325 0.279 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000732080055 581801110 /nfs/dbraw/zinc/80/11/10/581801110.db2.gz RYTBJXMDPXUXFQ-LBPRGKRZSA-N 1 2 273.340 0.327 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000732080055 581801114 /nfs/dbraw/zinc/80/11/14/581801114.db2.gz RYTBJXMDPXUXFQ-LBPRGKRZSA-N 1 2 273.340 0.327 20 30 CCEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCCC#N ZINC000745091243 581864996 /nfs/dbraw/zinc/86/49/96/581864996.db2.gz WHBLNYBUDDXCRJ-LLVKDONJSA-N 1 2 267.329 0.434 20 30 CCEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCCC#N ZINC000745091243 581864997 /nfs/dbraw/zinc/86/49/97/581864997.db2.gz WHBLNYBUDDXCRJ-LLVKDONJSA-N 1 2 267.329 0.434 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000760853000 581876172 /nfs/dbraw/zinc/87/61/72/581876172.db2.gz IDWOSCNOZMOQBH-NWDGAFQWSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000760853000 581876173 /nfs/dbraw/zinc/87/61/73/581876173.db2.gz IDWOSCNOZMOQBH-NWDGAFQWSA-N 1 2 257.330 0.577 20 30 CCEDLO CCc1cc(NCCNC(=O)C2N=CC=CC2=O)nc[nH+]1 ZINC000733190733 581890103 /nfs/dbraw/zinc/89/01/03/581890103.db2.gz HZEDRJPCUKFKRQ-YPKPFQOOSA-N 1 2 287.323 0.977 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000737044090 581890695 /nfs/dbraw/zinc/89/06/95/581890695.db2.gz KVMIRBCCPDZVBK-SNVBAGLBSA-N 1 2 261.753 0.759 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000737044090 581890697 /nfs/dbraw/zinc/89/06/97/581890697.db2.gz KVMIRBCCPDZVBK-SNVBAGLBSA-N 1 2 261.753 0.759 20 30 CCEDLO Nc1ncccc1C=[NH+]Nc1ccccc1S(N)(=O)=O ZINC000773120421 581909625 /nfs/dbraw/zinc/90/96/25/581909625.db2.gz HZMWEKRIUSBDMT-UHFFFAOYSA-N 1 2 291.336 0.757 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@@H](CO)C1 ZINC000746461917 581914345 /nfs/dbraw/zinc/91/43/45/581914345.db2.gz GHUFKCLKLCVPRE-GFCCVEGCSA-N 1 2 298.346 0.734 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000746461917 581914349 /nfs/dbraw/zinc/91/43/49/581914349.db2.gz GHUFKCLKLCVPRE-GFCCVEGCSA-N 1 2 298.346 0.734 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000747373833 581938050 /nfs/dbraw/zinc/93/80/50/581938050.db2.gz AGVRLVTYBMBUEV-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000747373833 581938051 /nfs/dbraw/zinc/93/80/51/581938051.db2.gz AGVRLVTYBMBUEV-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000762538479 581950058 /nfs/dbraw/zinc/95/00/58/581950058.db2.gz OGVWFYYESXWPKN-QHRIQVFBSA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000762538479 581950060 /nfs/dbraw/zinc/95/00/60/581950060.db2.gz OGVWFYYESXWPKN-QHRIQVFBSA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[S@](C)=O ZINC000748373384 581973078 /nfs/dbraw/zinc/97/30/78/581973078.db2.gz YGGIRVUOBLHOBH-SOZUMNATSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[S@](C)=O ZINC000748373384 581973081 /nfs/dbraw/zinc/97/30/81/581973081.db2.gz YGGIRVUOBLHOBH-SOZUMNATSA-N 1 2 270.398 0.357 20 30 CCEDLO C[C@@H](CO)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000749821161 582023794 /nfs/dbraw/zinc/02/37/94/582023794.db2.gz OBVBNXMQNPJWAN-QMMMGPOBSA-N 1 2 298.778 0.617 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000775426791 582023979 /nfs/dbraw/zinc/02/39/79/582023979.db2.gz LNJRYLKZDOUGDW-OLZOCXBDSA-N 1 2 285.388 0.191 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000775426791 582023982 /nfs/dbraw/zinc/02/39/82/582023982.db2.gz LNJRYLKZDOUGDW-OLZOCXBDSA-N 1 2 285.388 0.191 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000764201371 582035761 /nfs/dbraw/zinc/03/57/61/582035761.db2.gz KCPAVMNISSSUGN-RISCZKNCSA-N 1 2 282.388 0.497 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000764201371 582035762 /nfs/dbraw/zinc/03/57/62/582035762.db2.gz KCPAVMNISSSUGN-RISCZKNCSA-N 1 2 282.388 0.497 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnc2n1CCCC2)[C@@H]1CCCO1 ZINC000775800375 582040251 /nfs/dbraw/zinc/04/02/51/582040251.db2.gz OODZYPDUGPZZGS-RYUDHWBXSA-N 1 2 260.341 0.885 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776128927 582053431 /nfs/dbraw/zinc/05/34/31/582053431.db2.gz FIPHEJMJLQCMJA-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776128927 582053434 /nfs/dbraw/zinc/05/34/34/582053434.db2.gz FIPHEJMJLQCMJA-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C[NH+]1CCN(N=Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000751127607 582070794 /nfs/dbraw/zinc/07/07/94/582070794.db2.gz PMKSVXKMQDDEHI-UHFFFAOYSA-N 1 2 264.285 0.882 20 30 CCEDLO C=C(Br)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000832783938 613235669 /nfs/dbraw/zinc/23/56/69/613235669.db2.gz UPDBTUCQBCTCHK-SNVBAGLBSA-N 1 2 263.179 0.893 20 30 CCEDLO C=C(Br)CN1CC[N@H+](CCO)C[C@H]1C ZINC000832783938 613235672 /nfs/dbraw/zinc/23/56/72/613235672.db2.gz UPDBTUCQBCTCHK-SNVBAGLBSA-N 1 2 263.179 0.893 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#CC(C)C ZINC000928645892 615476997 /nfs/dbraw/zinc/47/69/97/615476997.db2.gz HJXBCSINSPPNBG-ZDUSSCGKSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000852755555 612947831 /nfs/dbraw/zinc/94/78/31/612947831.db2.gz SIGLVKLYNMAGRC-LLVKDONJSA-N 1 2 285.347 0.282 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000852755555 612947833 /nfs/dbraw/zinc/94/78/33/612947833.db2.gz SIGLVKLYNMAGRC-LLVKDONJSA-N 1 2 285.347 0.282 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000931145169 612952908 /nfs/dbraw/zinc/95/29/08/612952908.db2.gz OOKLFMGDTNEVMI-LLVKDONJSA-N 1 2 277.324 0.770 20 30 CCEDLO C#CC[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000882306896 613045012 /nfs/dbraw/zinc/04/50/12/613045012.db2.gz HHOWGXCUQJIPKF-CYBMUJFWSA-N 1 2 281.381 0.948 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000862566105 613046221 /nfs/dbraw/zinc/04/62/21/613046221.db2.gz IBSBEWZZABPSQV-ZIAGYGMSSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875194853 613063132 /nfs/dbraw/zinc/06/31/32/613063132.db2.gz MZOOFTIIDGRIFY-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875194853 613063134 /nfs/dbraw/zinc/06/31/34/613063134.db2.gz MZOOFTIIDGRIFY-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCN(C(C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000921430949 613070752 /nfs/dbraw/zinc/07/07/52/613070752.db2.gz MQPRDCLJQXYUST-UHFFFAOYSA-N 1 2 255.343 0.557 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OCC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000859188421 613108090 /nfs/dbraw/zinc/10/80/90/613108090.db2.gz OOQUXOLOJUAJCX-UONOGXRCSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@H](OCC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000859188421 613108092 /nfs/dbraw/zinc/10/80/92/613108092.db2.gz OOQUXOLOJUAJCX-UONOGXRCSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)C1CSC1 ZINC000895811416 613108828 /nfs/dbraw/zinc/10/88/28/613108828.db2.gz QWNUSZAZHHDECE-UHFFFAOYSA-N 1 2 296.417 0.885 20 30 CCEDLO C#CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)C1CSC1 ZINC000895811416 613108831 /nfs/dbraw/zinc/10/88/31/613108831.db2.gz QWNUSZAZHHDECE-UHFFFAOYSA-N 1 2 296.417 0.885 20 30 CCEDLO C#CCC1(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000916895359 612969276 /nfs/dbraw/zinc/96/92/76/612969276.db2.gz KIAIXHZOTIYICF-LBPRGKRZSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCC1(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000916895359 612969278 /nfs/dbraw/zinc/96/92/78/612969278.db2.gz KIAIXHZOTIYICF-LBPRGKRZSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804172097 612977252 /nfs/dbraw/zinc/97/72/52/612977252.db2.gz PLNMMLPFGVMYMT-NSHDSACASA-N 1 2 260.297 0.676 20 30 CCEDLO C#CCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804172097 612977253 /nfs/dbraw/zinc/97/72/53/612977253.db2.gz PLNMMLPFGVMYMT-NSHDSACASA-N 1 2 260.297 0.676 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000906828413 614362720 /nfs/dbraw/zinc/36/27/20/614362720.db2.gz LYNJDBCOAPLZML-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000830035710 614325576 /nfs/dbraw/zinc/32/55/76/614325576.db2.gz PZVSAYPRMVNIQW-CYBMUJFWSA-N 1 2 250.342 0.579 20 30 CCEDLO COc1ccc(OC)c(C[N@H+](CCO)C[C@H](O)CC#N)c1 ZINC000929620853 617275321 /nfs/dbraw/zinc/27/53/21/617275321.db2.gz WIGFGFSMFGAQLQ-CYBMUJFWSA-N 1 2 294.351 0.773 20 30 CCEDLO COc1ccc(OC)c(C[N@@H+](CCO)C[C@H](O)CC#N)c1 ZINC000929620853 617275322 /nfs/dbraw/zinc/27/53/22/617275322.db2.gz WIGFGFSMFGAQLQ-CYBMUJFWSA-N 1 2 294.351 0.773 20 30 CCEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000819047886 617296244 /nfs/dbraw/zinc/29/62/44/617296244.db2.gz RDBYNOBKPAFLOZ-JTQLQIEISA-N 1 2 290.385 0.492 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852711337 612950405 /nfs/dbraw/zinc/95/04/05/612950405.db2.gz FDFBCWJYLNVMKM-TVQRCGJNSA-N 1 2 282.290 0.726 20 30 CCEDLO C#CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCC1 ZINC000886798001 612968428 /nfs/dbraw/zinc/96/84/28/612968428.db2.gz JULVZGQRXFNCSV-HYXAFXHYSA-N 1 2 262.353 0.937 20 30 CCEDLO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000960323621 612971238 /nfs/dbraw/zinc/97/12/38/612971238.db2.gz ISKUCIFSRWSESV-CZUORRHYSA-N 1 2 295.346 0.352 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000880483013 612973145 /nfs/dbraw/zinc/97/31/45/612973145.db2.gz YOTINJGVWQOARL-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CCCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643730 612975104 /nfs/dbraw/zinc/97/51/04/612975104.db2.gz XLIXEDICAJEEOG-MRXNPFEDSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643730 612975106 /nfs/dbraw/zinc/97/51/06/612975106.db2.gz XLIXEDICAJEEOG-MRXNPFEDSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCOCC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000851773092 612981629 /nfs/dbraw/zinc/98/16/29/612981629.db2.gz IOBCHISYYWBZEH-LLVKDONJSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCOCC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000851773092 612981630 /nfs/dbraw/zinc/98/16/30/612981630.db2.gz IOBCHISYYWBZEH-LLVKDONJSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000886351885 612983297 /nfs/dbraw/zinc/98/32/97/612983297.db2.gz PZKOKRAWCTZEKH-ZDUSSCGKSA-N 1 2 298.383 0.550 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000886351885 612983299 /nfs/dbraw/zinc/98/32/99/612983299.db2.gz PZKOKRAWCTZEKH-ZDUSSCGKSA-N 1 2 298.383 0.550 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000852212568 612989900 /nfs/dbraw/zinc/98/99/00/612989900.db2.gz CDGLDUXZMUMZMD-MJBXVCDLSA-N 1 2 283.368 0.973 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)C2=COCCO2)C1 ZINC000949607742 612990447 /nfs/dbraw/zinc/99/04/47/612990447.db2.gz AHPBIALQKHDIKP-UHFFFAOYSA-N 1 2 264.325 0.431 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC000950601926 612991787 /nfs/dbraw/zinc/99/17/87/612991787.db2.gz WVMOAFCYNIVJEJ-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000823238114 612999297 /nfs/dbraw/zinc/99/92/97/612999297.db2.gz JSEULDOGDOKQME-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836862008 613001142 /nfs/dbraw/zinc/00/11/42/613001142.db2.gz ZIKTVBJSYZXKFH-UPJWGTAASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836862008 613001144 /nfs/dbraw/zinc/00/11/44/613001144.db2.gz ZIKTVBJSYZXKFH-UPJWGTAASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC000898886189 613005523 /nfs/dbraw/zinc/00/55/23/613005523.db2.gz FFOQTONOALBPJL-AWEZNQCLSA-N 1 2 299.330 0.896 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900473882 613011183 /nfs/dbraw/zinc/01/11/83/613011183.db2.gz KSFKQGBLUMRZFH-UHFFFAOYSA-N 1 2 286.379 0.929 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000851873358 613011653 /nfs/dbraw/zinc/01/16/53/613011653.db2.gz VYNWPBZGADLTFA-HUUCEWRRSA-N 1 2 266.385 0.679 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823053249 613024106 /nfs/dbraw/zinc/02/41/06/613024106.db2.gz NGKJHFUUBOVOTJ-VHSXEESVSA-N 1 2 289.257 0.877 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000886361408 613046833 /nfs/dbraw/zinc/04/68/33/613046833.db2.gz GWUNYTMBYUVIJF-SECBINFHSA-N 1 2 250.327 0.822 20 30 CCEDLO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000886361408 613046834 /nfs/dbraw/zinc/04/68/34/613046834.db2.gz GWUNYTMBYUVIJF-SECBINFHSA-N 1 2 250.327 0.822 20 30 CCEDLO C#CC[C@@H]1NC(=O)N([C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000927559766 613048453 /nfs/dbraw/zinc/04/84/53/613048453.db2.gz HKHMVLBDECGVNU-NEPJUHHUSA-N 1 2 284.319 0.604 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000872644449 613050303 /nfs/dbraw/zinc/05/03/03/613050303.db2.gz IEJCCDWIUQYKBZ-LBPRGKRZSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000872644449 613050305 /nfs/dbraw/zinc/05/03/05/613050305.db2.gz IEJCCDWIUQYKBZ-LBPRGKRZSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000858373349 613051699 /nfs/dbraw/zinc/05/16/99/613051699.db2.gz CQNKESCIKLOPDR-CHWSQXEVSA-N 1 2 290.367 0.926 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000816672551 613056566 /nfs/dbraw/zinc/05/65/66/613056566.db2.gz CRHYATWYKYFZNK-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000799080005 613063726 /nfs/dbraw/zinc/06/37/26/613063726.db2.gz DGAMLLLVMVWGGC-NSHDSACASA-N 1 2 257.293 0.838 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922524549 613084330 /nfs/dbraw/zinc/08/43/30/613084330.db2.gz FEVSXHNGDQSADF-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000851949681 613099986 /nfs/dbraw/zinc/09/99/86/613099986.db2.gz HOYOUCDSICMMRF-GHMZBOCLSA-N 1 2 284.337 0.197 20 30 CCEDLO C#CC[N@@H+](CCn1nc2ccccn2c1=O)C1CSC1 ZINC000878914022 613108040 /nfs/dbraw/zinc/10/80/40/613108040.db2.gz JYWITCUWCHXOEX-UHFFFAOYSA-N 1 2 288.376 0.547 20 30 CCEDLO C#CC[N@H+](CCn1nc2ccccn2c1=O)C1CSC1 ZINC000878914022 613108042 /nfs/dbraw/zinc/10/80/42/613108042.db2.gz JYWITCUWCHXOEX-UHFFFAOYSA-N 1 2 288.376 0.547 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(F)CCCC3)CC2)C1 ZINC000941467742 613114581 /nfs/dbraw/zinc/11/45/81/613114581.db2.gz HVLQZGNUFKANGZ-UHFFFAOYSA-N 1 2 293.386 0.730 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC000941377449 613115177 /nfs/dbraw/zinc/11/51/77/613115177.db2.gz FVWYXOTURMDTNL-UHFFFAOYSA-N 1 2 298.390 0.086 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000941285805 613116330 /nfs/dbraw/zinc/11/63/30/613116330.db2.gz YQITVCRQAHXSGK-UHFFFAOYSA-N 1 2 284.363 0.157 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000970338154 613116791 /nfs/dbraw/zinc/11/67/91/613116791.db2.gz JCPWMCPLZNJCSZ-ZYHUDNBSSA-N 1 2 287.367 0.294 20 30 CCEDLO C#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326067 613116921 /nfs/dbraw/zinc/11/69/21/613116921.db2.gz MZVQIQXHACIFCU-HIFRSBDPSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326067 613116922 /nfs/dbraw/zinc/11/69/22/613116922.db2.gz MZVQIQXHACIFCU-HIFRSBDPSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000970338151 613123111 /nfs/dbraw/zinc/12/31/11/613123111.db2.gz JCPWMCPLZNJCSZ-CMPLNLGQSA-N 1 2 287.367 0.294 20 30 CCEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000867499693 613131099 /nfs/dbraw/zinc/13/10/99/613131099.db2.gz OFXMOYAWPHXWCG-PXHZSSHCSA-N 1 2 278.352 0.172 20 30 CCEDLO C#C[C@H](NC(=O)CNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000907488713 613133473 /nfs/dbraw/zinc/13/34/73/613133473.db2.gz SKMYZDFGRWLAFT-NWDGAFQWSA-N 1 2 259.309 0.791 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)nn2)CC1 ZINC000921437307 613138642 /nfs/dbraw/zinc/13/86/42/613138642.db2.gz TURMJPNQTWWBLC-UHFFFAOYSA-N 1 2 294.380 0.161 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)ns2)CC1 ZINC000921437102 613138770 /nfs/dbraw/zinc/13/87/70/613138770.db2.gz MMJAYKYOZWNADQ-UHFFFAOYSA-N 1 2 299.421 0.827 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)nc1 ZINC000913469650 613170499 /nfs/dbraw/zinc/17/04/99/613170499.db2.gz QZBFLQNHKFPSBB-OAHLLOKOSA-N 1 2 295.346 0.583 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555388 613173570 /nfs/dbraw/zinc/17/35/70/613173570.db2.gz PMXYCJYROZPRNP-DGAVXFQQSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555388 613173571 /nfs/dbraw/zinc/17/35/71/613173571.db2.gz PMXYCJYROZPRNP-DGAVXFQQSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(CC)no2)C1 ZINC000902729739 613174823 /nfs/dbraw/zinc/17/48/23/613174823.db2.gz MPCWEWNTQKCLPE-SNVBAGLBSA-N 1 2 262.313 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(CC)no2)C1 ZINC000902729739 613174824 /nfs/dbraw/zinc/17/48/24/613174824.db2.gz MPCWEWNTQKCLPE-SNVBAGLBSA-N 1 2 262.313 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)COC)C1 ZINC000885512117 613176001 /nfs/dbraw/zinc/17/60/01/613176001.db2.gz RQCQIUAJSDIVRZ-VXGBXAGGSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)COC)C1 ZINC000885512117 613176003 /nfs/dbraw/zinc/17/60/03/613176003.db2.gz RQCQIUAJSDIVRZ-VXGBXAGGSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC=C)C1 ZINC000885511921 613176009 /nfs/dbraw/zinc/17/60/09/613176009.db2.gz OWOOQIPKLHZYAW-GFCCVEGCSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC=C)C1 ZINC000885511921 613176011 /nfs/dbraw/zinc/17/60/11/613176011.db2.gz OWOOQIPKLHZYAW-GFCCVEGCSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2CCC2)C1 ZINC000885511277 613176057 /nfs/dbraw/zinc/17/60/57/613176057.db2.gz DWKGTLYRFBVPST-CYBMUJFWSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CCC2)C1 ZINC000885511277 613176058 /nfs/dbraw/zinc/17/60/58/613176058.db2.gz DWKGTLYRFBVPST-CYBMUJFWSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)c2ccc[nH]2)C1 ZINC000902731483 613181282 /nfs/dbraw/zinc/18/12/82/613181282.db2.gz YQSALQQXFRSAMA-NSHDSACASA-N 1 2 259.309 0.411 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)c2ccc[nH]2)C1 ZINC000902731483 613181284 /nfs/dbraw/zinc/18/12/84/613181284.db2.gz YQSALQQXFRSAMA-NSHDSACASA-N 1 2 259.309 0.411 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000829582901 613191673 /nfs/dbraw/zinc/19/16/73/613191673.db2.gz SSLKYQUFVHUZMM-LBPRGKRZSA-N 1 2 273.336 0.213 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000829582901 613191674 /nfs/dbraw/zinc/19/16/74/613191674.db2.gz SSLKYQUFVHUZMM-LBPRGKRZSA-N 1 2 273.336 0.213 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000928745376 613200113 /nfs/dbraw/zinc/20/01/13/613200113.db2.gz DNUQUUQVBQNSTA-GOEBONIOSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000928745376 613200114 /nfs/dbraw/zinc/20/01/14/613200114.db2.gz DNUQUUQVBQNSTA-GOEBONIOSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC000837926383 613200124 /nfs/dbraw/zinc/20/01/24/613200124.db2.gz QBRGDXAPQGRTAK-NSHDSACASA-N 1 2 289.383 0.816 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC000837926383 613200126 /nfs/dbraw/zinc/20/01/26/613200126.db2.gz QBRGDXAPQGRTAK-NSHDSACASA-N 1 2 289.383 0.816 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000839892108 613202757 /nfs/dbraw/zinc/20/27/57/613202757.db2.gz NINAEGIRNUWXBX-SDDRHHMPSA-N 1 2 286.322 0.749 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000839892108 613202758 /nfs/dbraw/zinc/20/27/58/613202758.db2.gz NINAEGIRNUWXBX-SDDRHHMPSA-N 1 2 286.322 0.749 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@](C)(O)C(C)=O)c1 ZINC000827435228 613203466 /nfs/dbraw/zinc/20/34/66/613203466.db2.gz UOORHZCPGHNDFX-MRXNPFEDSA-N 1 2 288.347 0.878 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@](C)(O)C(C)=O)c1 ZINC000827435228 613203468 /nfs/dbraw/zinc/20/34/68/613203468.db2.gz UOORHZCPGHNDFX-MRXNPFEDSA-N 1 2 288.347 0.878 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)[C@@H](C)O)c1 ZINC000929290315 613203776 /nfs/dbraw/zinc/20/37/76/613203776.db2.gz QKDMMZRMOLCYKD-RISCZKNCSA-N 1 2 276.336 0.280 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)[C@@H](C)O)c1 ZINC000929290315 613203778 /nfs/dbraw/zinc/20/37/78/613203778.db2.gz QKDMMZRMOLCYKD-RISCZKNCSA-N 1 2 276.336 0.280 20 30 CCEDLO C#Cc1cnc(N[C@H](CC)C[NH+]2CCOCC2)nc1 ZINC000895800867 613210841 /nfs/dbraw/zinc/21/08/41/613210841.db2.gz ICYDFWUMAGRCSL-CYBMUJFWSA-N 1 2 260.341 0.981 20 30 CCEDLO C/C(=C/C(=O)N[C@@]1(C#N)CCSC1)C[NH+]1CCOCC1 ZINC000900464537 613239836 /nfs/dbraw/zinc/23/98/36/613239836.db2.gz OVHLRGYLSCIKSO-ICDLMJIXSA-N 1 2 295.408 0.780 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940185 613255345 /nfs/dbraw/zinc/25/53/45/613255345.db2.gz CRQRNSYJXKVTNN-NWDGAFQWSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940185 613255346 /nfs/dbraw/zinc/25/53/46/613255346.db2.gz CRQRNSYJXKVTNN-NWDGAFQWSA-N 1 2 273.336 0.861 20 30 CCEDLO C/C(=C\C(=O)N[C@H](C#N)C(C)C)C[NH+]1CCOCC1 ZINC000900637374 613259370 /nfs/dbraw/zinc/25/93/70/613259370.db2.gz CLECFKRPZARCDY-YQCJOKCJSA-N 1 2 265.357 0.929 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000951190380 613294621 /nfs/dbraw/zinc/29/46/21/613294621.db2.gz KVVWTRNWUAOJQU-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COCCO2)C1 ZINC000949702841 613295395 /nfs/dbraw/zinc/29/53/95/613295395.db2.gz OFRPTYIVDZWEEZ-CYBMUJFWSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(C)n2)C1 ZINC000957362095 613296428 /nfs/dbraw/zinc/29/64/28/613296428.db2.gz GYDSIYQEIQJUAI-UHFFFAOYSA-N 1 2 290.367 0.503 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3C)[C@@H]2C1 ZINC000977901961 613312250 /nfs/dbraw/zinc/31/22/50/613312250.db2.gz AQRXIDIGYANOMR-XYYAHUGASA-N 1 2 272.352 0.567 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3C)[C@@H]2C1 ZINC000977901961 613312251 /nfs/dbraw/zinc/31/22/51/613312251.db2.gz AQRXIDIGYANOMR-XYYAHUGASA-N 1 2 272.352 0.567 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1C ZINC000958427853 613321712 /nfs/dbraw/zinc/32/17/12/613321712.db2.gz PDWJBUPVJPLVRA-PJXYFTJBSA-N 1 2 258.325 0.320 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1C ZINC000958427853 613321714 /nfs/dbraw/zinc/32/17/14/613321714.db2.gz PDWJBUPVJPLVRA-PJXYFTJBSA-N 1 2 258.325 0.320 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCCCC2 ZINC000962580904 613321737 /nfs/dbraw/zinc/32/17/37/613321737.db2.gz WHAQFBUXRCKLMX-NHAGDIPZSA-N 1 2 298.390 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCCCC2 ZINC000962580904 613321738 /nfs/dbraw/zinc/32/17/38/613321738.db2.gz WHAQFBUXRCKLMX-NHAGDIPZSA-N 1 2 298.390 0.972 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000815055438 613325379 /nfs/dbraw/zinc/32/53/79/613325379.db2.gz AHNGKAWTQHNLFO-GFCCVEGCSA-N 1 2 296.367 0.168 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000815055438 613325380 /nfs/dbraw/zinc/32/53/80/613325380.db2.gz AHNGKAWTQHNLFO-GFCCVEGCSA-N 1 2 296.367 0.168 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977177 613356410 /nfs/dbraw/zinc/35/64/10/613356410.db2.gz SUUGNXSGLVUBDR-NWDGAFQWSA-N 1 2 276.340 0.915 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882902053 613357970 /nfs/dbraw/zinc/35/79/70/613357970.db2.gz XLFNTRQRDXOISY-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)o2)C1 ZINC000969575130 613371699 /nfs/dbraw/zinc/37/16/99/613371699.db2.gz UFMREDLMFNDOOZ-SECBINFHSA-N 1 2 299.758 0.781 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599016 613371974 /nfs/dbraw/zinc/37/19/74/613371974.db2.gz JPROAEXGRZDXQK-SECBINFHSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000969591097 613372189 /nfs/dbraw/zinc/37/21/89/613372189.db2.gz LHZOXABDVAJRIJ-WPRPVWTQSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962074312 613383385 /nfs/dbraw/zinc/38/33/85/613383385.db2.gz LVRDHHOUITYFQK-BRPSZJMVSA-N 1 2 267.720 0.217 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962074312 613383386 /nfs/dbraw/zinc/38/33/86/613383386.db2.gz LVRDHHOUITYFQK-BRPSZJMVSA-N 1 2 267.720 0.217 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC[C@H]2C)C1 ZINC000968207218 613398834 /nfs/dbraw/zinc/39/88/34/613398834.db2.gz AUIPNOKTQVMBGD-CHWSQXEVSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC[C@H]2C)C1 ZINC000968207218 613398837 /nfs/dbraw/zinc/39/88/37/613398837.db2.gz AUIPNOKTQVMBGD-CHWSQXEVSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000878508398 613400207 /nfs/dbraw/zinc/40/02/07/613400207.db2.gz BUZCLJFKRJSIEV-LLVKDONJSA-N 1 2 284.385 0.681 20 30 CCEDLO C=CC[C@@H]([NH2+]CC1(C(=O)OC)CCOCC1)C(=O)OC ZINC000905762275 613405843 /nfs/dbraw/zinc/40/58/43/613405843.db2.gz MNJQGFOUZRZKEL-LLVKDONJSA-N 1 2 285.340 0.664 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000877895728 613410551 /nfs/dbraw/zinc/41/05/51/613410551.db2.gz WJMRVZOWMAMOMS-GFCCVEGCSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCN(C(C)=O)CC1 ZINC000877895728 613410554 /nfs/dbraw/zinc/41/05/54/613410554.db2.gz WJMRVZOWMAMOMS-GFCCVEGCSA-N 1 2 254.330 0.658 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927764889 613452280 /nfs/dbraw/zinc/45/22/80/613452280.db2.gz JUFGQFFCEHWATQ-SECBINFHSA-N 1 2 255.343 0.368 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898892399 613466273 /nfs/dbraw/zinc/46/62/73/613466273.db2.gz QKDJDDGNVYYFPD-SCVCMEIPSA-N 1 2 265.313 0.161 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925602264 613482837 /nfs/dbraw/zinc/48/28/37/613482837.db2.gz SVYKYJHEQHBDBP-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838115389 613583384 /nfs/dbraw/zinc/58/33/84/613583384.db2.gz OPWUKCSOLICQEG-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838115389 613583387 /nfs/dbraw/zinc/58/33/87/613583387.db2.gz OPWUKCSOLICQEG-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925604282 613583971 /nfs/dbraw/zinc/58/39/71/613583971.db2.gz IQJCEFDHWXKGPG-KGLIPLIRSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000842240118 613588112 /nfs/dbraw/zinc/58/81/12/613588112.db2.gz NOZIPFFSUKSNTG-GRYCIOLGSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000842240118 613588114 /nfs/dbraw/zinc/58/81/14/613588114.db2.gz NOZIPFFSUKSNTG-GRYCIOLGSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CCOC)CC1)C(C)C ZINC000839247412 613602062 /nfs/dbraw/zinc/60/20/62/613602062.db2.gz HSXSATWFGLGQBP-UHFFFAOYSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC000950462775 613655037 /nfs/dbraw/zinc/65/50/37/613655037.db2.gz ORIUSJGKBAYDQC-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC000951551598 613655486 /nfs/dbraw/zinc/65/54/86/613655486.db2.gz ZGLFPVDTMSNPJH-LBPRGKRZSA-N 1 2 289.383 0.943 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000957461649 613708959 /nfs/dbraw/zinc/70/89/59/613708959.db2.gz BCOJGHUXXRWLOC-ZDUSSCGKSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC000957288950 613709925 /nfs/dbraw/zinc/70/99/25/613709925.db2.gz JTUCTRWQWDBTHF-UHFFFAOYSA-N 1 2 262.357 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000949025346 613710724 /nfs/dbraw/zinc/71/07/24/613710724.db2.gz FHFKHGBFLGTNRU-NEPJUHHUSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(CC)CCNC2=O)CC1 ZINC000948862267 613712073 /nfs/dbraw/zinc/71/20/73/613712073.db2.gz LBFXNDSCAYUGGO-AWEZNQCLSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C1=O ZINC000798645122 613802937 /nfs/dbraw/zinc/80/29/37/613802937.db2.gz YVCZAARBNLGJDL-RYUDHWBXSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O ZINC000798645122 613802938 /nfs/dbraw/zinc/80/29/38/613802938.db2.gz YVCZAARBNLGJDL-RYUDHWBXSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932272359 613849736 /nfs/dbraw/zinc/84/97/36/613849736.db2.gz DJSQCAJRKSZESI-LBPRGKRZSA-N 1 2 291.355 0.569 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932272359 613849737 /nfs/dbraw/zinc/84/97/37/613849737.db2.gz DJSQCAJRKSZESI-LBPRGKRZSA-N 1 2 291.355 0.569 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455441 613852009 /nfs/dbraw/zinc/85/20/09/613852009.db2.gz JWVVKYVTECBLGX-ZJUUUORDSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455441 613852010 /nfs/dbraw/zinc/85/20/10/613852010.db2.gz JWVVKYVTECBLGX-ZJUUUORDSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134047706 613854928 /nfs/dbraw/zinc/85/49/28/613854928.db2.gz SMHGHWQYNIZFQM-NSHDSACASA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000134047706 613854930 /nfs/dbraw/zinc/85/49/30/613854930.db2.gz SMHGHWQYNIZFQM-NSHDSACASA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000884327148 613877454 /nfs/dbraw/zinc/87/74/54/613877454.db2.gz LATKOONWIWJJBC-SDDRHHMPSA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CC ZINC000884099351 613877608 /nfs/dbraw/zinc/87/76/08/613877608.db2.gz LLQUDRBIDUIRQW-QWRGUYRKSA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCCCC1 ZINC000884043816 613878029 /nfs/dbraw/zinc/87/80/29/613878029.db2.gz KQKPZJRDJQOCKY-NSHDSACASA-N 1 2 254.330 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)Cn1cccn1 ZINC000884092701 613878407 /nfs/dbraw/zinc/87/84/07/613878407.db2.gz MPQWUOKIBUZANS-RYUDHWBXSA-N 1 2 294.355 0.082 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CCC)c1 ZINC000884149946 613878972 /nfs/dbraw/zinc/87/89/72/613878972.db2.gz YYXGRHYWJGAJFJ-NSHDSACASA-N 1 2 280.328 0.678 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913466624 613879707 /nfs/dbraw/zinc/87/97/07/613879707.db2.gz FQJKPQYPPAICAX-AWEZNQCLSA-N 1 2 292.383 0.876 20 30 CCEDLO C=CCOCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000815071578 613880477 /nfs/dbraw/zinc/88/04/77/613880477.db2.gz LSLCGJZJCYRMKY-KRWDZBQOSA-N 1 2 260.403 0.185 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933542665 613880520 /nfs/dbraw/zinc/88/05/20/613880520.db2.gz XROUXLWHCHPETN-ZDUSSCGKSA-N 1 2 251.330 0.996 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933542665 613880521 /nfs/dbraw/zinc/88/05/21/613880521.db2.gz XROUXLWHCHPETN-ZDUSSCGKSA-N 1 2 251.330 0.996 20 30 CCEDLO CC(C)(C)n1nnc(C=NNCCCn2cc[nH+]c2)n1 ZINC000853371797 614068531 /nfs/dbraw/zinc/06/85/31/614068531.db2.gz DEJVHPJRZNCBPT-UHFFFAOYSA-N 1 2 276.348 0.638 20 30 CCEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C#N ZINC000801946716 614199205 /nfs/dbraw/zinc/19/92/05/614199205.db2.gz MSANUTWGAZYPCX-VXGBXAGGSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C#N ZINC000801946716 614199207 /nfs/dbraw/zinc/19/92/07/614199207.db2.gz MSANUTWGAZYPCX-VXGBXAGGSA-N 1 2 253.346 0.762 20 30 CCEDLO CCN(CC)C(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801911794 614966731 /nfs/dbraw/zinc/96/67/31/614966731.db2.gz TUVYGHLDDIPPFX-AWEZNQCLSA-N 1 2 296.415 0.401 20 30 CCEDLO CCNC(=O)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877142803 615050076 /nfs/dbraw/zinc/05/00/76/615050076.db2.gz WMHGKYWVXAQBHH-UHFFFAOYSA-N 1 2 252.705 0.832 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000907073626 615161457 /nfs/dbraw/zinc/16/14/57/615161457.db2.gz NURHYKSMWWDCAA-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000907073626 615161458 /nfs/dbraw/zinc/16/14/58/615161458.db2.gz NURHYKSMWWDCAA-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccncc2C#N)C1 ZINC000828876366 615186262 /nfs/dbraw/zinc/18/62/62/615186262.db2.gz DFXMIFALDOPIGG-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccncc2C#N)C1 ZINC000828876366 615186264 /nfs/dbraw/zinc/18/62/64/615186264.db2.gz DFXMIFALDOPIGG-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CCOC(=O)[C@@]1(F)C[N@H+](C[C@H](O)CC#N)C[C@@H]1CC ZINC000931753127 615332043 /nfs/dbraw/zinc/33/20/43/615332043.db2.gz JPSAVZVTTQFMRN-DMDPSCGWSA-N 1 2 272.320 0.874 20 30 CCEDLO CCOC(=O)[C@@]1(F)C[N@@H+](C[C@H](O)CC#N)C[C@@H]1CC ZINC000931753127 615332046 /nfs/dbraw/zinc/33/20/46/615332046.db2.gz JPSAVZVTTQFMRN-DMDPSCGWSA-N 1 2 272.320 0.874 20 30 CCEDLO CCn1c[nH+]c2c1CCN(Cn1cccc(C#N)c1=O)C2 ZINC000902550627 615629871 /nfs/dbraw/zinc/62/98/71/615629871.db2.gz DWMVLQINPDGNDE-UHFFFAOYSA-N 1 2 283.335 0.952 20 30 CCEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)C#CC2CC2)C1 ZINC000955112488 615829044 /nfs/dbraw/zinc/82/90/44/615829044.db2.gz VBNACFVQOOVOIB-UHFFFAOYSA-N 1 2 286.335 0.035 20 30 CCEDLO CN(C)C(=O)c1ccc(C=NNCCCn2cc[nH+]c2)[nH]1 ZINC000848418158 615834966 /nfs/dbraw/zinc/83/49/66/615834966.db2.gz JEVNADCSRQSLLH-UHFFFAOYSA-N 1 2 288.355 0.927 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNOCCC(F)(F)F ZINC000819248638 616067737 /nfs/dbraw/zinc/06/77/37/616067737.db2.gz YCWGOXRRSPUGHQ-VIFPVBQESA-N 1 2 269.267 0.666 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNOCCC(F)(F)F ZINC000819248638 616067738 /nfs/dbraw/zinc/06/77/38/616067738.db2.gz YCWGOXRRSPUGHQ-VIFPVBQESA-N 1 2 269.267 0.666 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CC2)[nH]n1 ZINC000900723482 616197297 /nfs/dbraw/zinc/19/72/97/616197297.db2.gz QZUHZLVEAXQFLI-LLVKDONJSA-N 1 2 259.313 0.962 20 30 CCEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CC2)[nH]n1 ZINC000900723482 616197298 /nfs/dbraw/zinc/19/72/98/616197298.db2.gz QZUHZLVEAXQFLI-LLVKDONJSA-N 1 2 259.313 0.962 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H]1CO ZINC000913552531 616230553 /nfs/dbraw/zinc/23/05/53/616230553.db2.gz PVQRHJWKXJVWGY-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H]1CO ZINC000913552531 616230554 /nfs/dbraw/zinc/23/05/54/616230554.db2.gz PVQRHJWKXJVWGY-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158291 616507413 /nfs/dbraw/zinc/50/74/13/616507413.db2.gz WESISCLOCBKFRC-AVGNSLFASA-N 1 2 296.367 0.430 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158291 616507417 /nfs/dbraw/zinc/50/74/17/616507417.db2.gz WESISCLOCBKFRC-AVGNSLFASA-N 1 2 296.367 0.430 20 30 CCEDLO COCCOc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895191531 616594981 /nfs/dbraw/zinc/59/49/81/616594981.db2.gz ARSQQEVPVWBQHX-NSHDSACASA-N 1 2 284.312 0.775 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCO[C@H](C)C#N ZINC000805817120 616668959 /nfs/dbraw/zinc/66/89/59/616668959.db2.gz ZVJZIJJDEOSJAP-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCO[C@H](C)C#N ZINC000805817120 616668962 /nfs/dbraw/zinc/66/89/62/616668962.db2.gz ZVJZIJJDEOSJAP-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000934037981 616675205 /nfs/dbraw/zinc/67/52/05/616675205.db2.gz QVRUSRUUADWXET-MGPQQGTHSA-N 1 2 289.335 0.478 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986012 616689774 /nfs/dbraw/zinc/68/97/74/616689774.db2.gz WOHNPRVHKSXQSY-VXGBXAGGSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986012 616689779 /nfs/dbraw/zinc/68/97/79/616689779.db2.gz WOHNPRVHKSXQSY-VXGBXAGGSA-N 1 2 282.340 0.305 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCO[C@H](C)C#N ZINC000852633811 617038388 /nfs/dbraw/zinc/03/83/88/617038388.db2.gz IHYZYPSGBKGTMZ-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCO[C@H](C)C#N ZINC000852633811 617038392 /nfs/dbraw/zinc/03/83/92/617038392.db2.gz IHYZYPSGBKGTMZ-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972391397 622817235 /nfs/dbraw/zinc/81/72/35/622817235.db2.gz MRYOMLPQYBDMSX-HNNXBMFYSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972391397 622817237 /nfs/dbraw/zinc/81/72/37/622817237.db2.gz MRYOMLPQYBDMSX-HNNXBMFYSA-N 1 2 273.336 0.565 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000972516227 622922351 /nfs/dbraw/zinc/92/23/51/622922351.db2.gz KEADQMLXENAFSZ-WCQYABFASA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000972516227 622922370 /nfs/dbraw/zinc/92/23/70/622922370.db2.gz KEADQMLXENAFSZ-WCQYABFASA-N 1 2 275.356 0.645 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NCC#N)C1 ZINC000969432013 624502051 /nfs/dbraw/zinc/50/20/51/624502051.db2.gz UAIDUJAPLCQSCL-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO NC(CCO)=[NH+]O[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000121332096 624848147 /nfs/dbraw/zinc/84/81/47/624848147.db2.gz TYHSESZUIPWSJZ-GFCCVEGCSA-N 1 2 295.314 0.992 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](NCC#N)C2)c[nH+]1 ZINC001022274347 624906736 /nfs/dbraw/zinc/90/67/36/624906736.db2.gz XGCIYUSPGVNPDL-TXEJJXNPSA-N 1 2 275.356 0.687 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027791107 630922101 /nfs/dbraw/zinc/92/21/01/630922101.db2.gz YNXPNJAJSIKGCR-KBPBESRZSA-N 1 2 263.385 0.685 20 30 CCEDLO N#CCCN1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000895026690 631897070 /nfs/dbraw/zinc/89/70/70/631897070.db2.gz KLYYGVUGGCVTHY-UHFFFAOYSA-N 1 2 256.313 0.765 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540498 632274022 /nfs/dbraw/zinc/27/40/22/632274022.db2.gz XFOGOQZKUIIRPT-RISCZKNCSA-N 1 2 289.383 0.559 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540498 632274023 /nfs/dbraw/zinc/27/40/23/632274023.db2.gz XFOGOQZKUIIRPT-RISCZKNCSA-N 1 2 289.383 0.559 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007308686 650073295 /nfs/dbraw/zinc/07/32/95/650073295.db2.gz PJHHBJXDGHKNIP-NSHDSACASA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007308686 650073296 /nfs/dbraw/zinc/07/32/96/650073296.db2.gz PJHHBJXDGHKNIP-NSHDSACASA-N 1 2 297.790 0.989 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007704726 650088716 /nfs/dbraw/zinc/08/87/16/650088716.db2.gz KVEWVMRCMRQDGD-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986209965 632730227 /nfs/dbraw/zinc/73/02/27/632730227.db2.gz FJNJAQMGTGODCD-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cscc1C#N ZINC000898892672 633685476 /nfs/dbraw/zinc/68/54/76/633685476.db2.gz SNPDSBLHQAANPS-JTQLQIEISA-N 1 2 276.321 0.817 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008518064 650118106 /nfs/dbraw/zinc/11/81/06/650118106.db2.gz NIMDAQRHSLSCHW-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001008518064 650118107 /nfs/dbraw/zinc/11/81/07/650118107.db2.gz NIMDAQRHSLSCHW-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO N#Cc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nc1 ZINC000900317595 633983826 /nfs/dbraw/zinc/98/38/26/633983826.db2.gz CXXXHMUHAQXMCF-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001009134551 650137984 /nfs/dbraw/zinc/13/79/84/650137984.db2.gz WPTQGYKXZJRISN-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001009134551 650137987 /nfs/dbraw/zinc/13/79/87/650137987.db2.gz WPTQGYKXZJRISN-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001009134553 650138149 /nfs/dbraw/zinc/13/81/49/650138149.db2.gz WPTQGYKXZJRISN-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001009134553 650138150 /nfs/dbraw/zinc/13/81/50/650138150.db2.gz WPTQGYKXZJRISN-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001009134549 650138261 /nfs/dbraw/zinc/13/82/61/650138261.db2.gz WPTQGYKXZJRISN-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001009134549 650138263 /nfs/dbraw/zinc/13/82/63/650138263.db2.gz WPTQGYKXZJRISN-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc(C)c1C#N ZINC000907088446 635074552 /nfs/dbraw/zinc/07/45/52/635074552.db2.gz QATXNCAJFBNNML-HNNXBMFYSA-N 1 2 298.390 0.905 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000911711142 636346482 /nfs/dbraw/zinc/34/64/82/636346482.db2.gz WSQLNKKYZPMFGR-GHMZBOCLSA-N 1 2 275.356 0.705 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010673333 650252286 /nfs/dbraw/zinc/25/22/86/650252286.db2.gz YLAVDIODLWLKBT-LBPRGKRZSA-N 1 2 287.791 0.262 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010673333 650252295 /nfs/dbraw/zinc/25/22/95/650252295.db2.gz YLAVDIODLWLKBT-LBPRGKRZSA-N 1 2 287.791 0.262 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C#CC(C)(C)C)CC[NH2+]2)cn1 ZINC000913460449 636813008 /nfs/dbraw/zinc/81/30/08/636813008.db2.gz NZDLKRZVSJAJSC-CYBMUJFWSA-N 1 2 274.368 0.943 20 30 CCEDLO COc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)ccc1C#N ZINC000913540002 636839896 /nfs/dbraw/zinc/83/98/96/636839896.db2.gz MKMRCSNWWFUOSC-ZDUSSCGKSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)ccc1C#N ZINC000913540002 636839903 /nfs/dbraw/zinc/83/99/03/636839903.db2.gz MKMRCSNWWFUOSC-ZDUSSCGKSA-N 1 2 289.335 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@H]12 ZINC000992147941 637322060 /nfs/dbraw/zinc/32/20/60/637322060.db2.gz ALQRIEXQOJVKCS-WFASDCNBSA-N 1 2 288.351 0.486 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@H]12 ZINC000992147941 637322066 /nfs/dbraw/zinc/32/20/66/637322066.db2.gz ALQRIEXQOJVKCS-WFASDCNBSA-N 1 2 288.351 0.486 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992326397 637364969 /nfs/dbraw/zinc/36/49/69/637364969.db2.gz GJDWRRFPWBFTJA-ZWNOBZJWSA-N 1 2 259.313 0.165 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992326397 637364971 /nfs/dbraw/zinc/36/49/71/637364971.db2.gz GJDWRRFPWBFTJA-ZWNOBZJWSA-N 1 2 259.313 0.165 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC000993020562 637665280 /nfs/dbraw/zinc/66/52/80/637665280.db2.gz XUDWNVBIDWGBJC-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC000993020562 637665290 /nfs/dbraw/zinc/66/52/90/637665290.db2.gz XUDWNVBIDWGBJC-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO N#CCC[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577180 637907277 /nfs/dbraw/zinc/90/72/77/637907277.db2.gz NMQDCLQABDWZDR-NWDGAFQWSA-N 1 2 265.269 0.492 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000948110440 638227541 /nfs/dbraw/zinc/22/75/41/638227541.db2.gz YYJDMUVDHKCFNL-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO COCCOCCO[NH+]=C(N)Cc1cccnc1 ZINC000183281553 638538756 /nfs/dbraw/zinc/53/87/56/638538756.db2.gz WNGDJVBZYFTUQS-UHFFFAOYSA-N 1 2 253.302 0.576 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809325 638795586 /nfs/dbraw/zinc/79/55/86/638795586.db2.gz SRIXXXZURMRHMD-NEPJUHHUSA-N 1 2 261.329 0.233 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998758164 638939755 /nfs/dbraw/zinc/93/97/55/638939755.db2.gz ZRFPFJLEWFFEJY-MNOVXSKESA-N 1 2 291.355 0.872 20 30 CCEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC(NCC#N)C1 ZINC000999006441 638955084 /nfs/dbraw/zinc/95/50/84/638955084.db2.gz DCAGJJCRTMAIQS-DCBWTQNWSA-N 1 2 287.367 0.548 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545839 638985147 /nfs/dbraw/zinc/98/51/47/638985147.db2.gz LLAJAEUELAZJQK-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014726888 650482307 /nfs/dbraw/zinc/48/23/07/650482307.db2.gz ZWJAEZFWUOWKMY-GFCCVEGCSA-N 1 2 290.367 0.224 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014726888 650482311 /nfs/dbraw/zinc/48/23/11/650482311.db2.gz ZWJAEZFWUOWKMY-GFCCVEGCSA-N 1 2 290.367 0.224 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001001367489 639290915 /nfs/dbraw/zinc/29/09/15/639290915.db2.gz YKSHQQWVDSMCFZ-CYBMUJFWSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001001367489 639290925 /nfs/dbraw/zinc/29/09/25/639290925.db2.gz YKSHQQWVDSMCFZ-CYBMUJFWSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001001367489 639290932 /nfs/dbraw/zinc/29/09/32/639290932.db2.gz YKSHQQWVDSMCFZ-CYBMUJFWSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001001367489 639290937 /nfs/dbraw/zinc/29/09/37/639290937.db2.gz YKSHQQWVDSMCFZ-CYBMUJFWSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001003263585 639523146 /nfs/dbraw/zinc/52/31/46/639523146.db2.gz QOVBDRJUVNAUMU-GFCCVEGCSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001015306469 650552540 /nfs/dbraw/zinc/55/25/40/650552540.db2.gz IZEDWMRFJHMXOG-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001015306469 650552546 /nfs/dbraw/zinc/55/25/46/650552546.db2.gz IZEDWMRFJHMXOG-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001015372416 650559722 /nfs/dbraw/zinc/55/97/22/650559722.db2.gz VJEJWZMCCMPCIA-NSHDSACASA-N 1 2 297.790 0.784 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001015372416 650559724 /nfs/dbraw/zinc/55/97/24/650559724.db2.gz VJEJWZMCCMPCIA-NSHDSACASA-N 1 2 297.790 0.784 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000838114599 640233070 /nfs/dbraw/zinc/23/30/70/640233070.db2.gz LQTHXLDKOYSHHY-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000838114599 640233075 /nfs/dbraw/zinc/23/30/75/640233075.db2.gz LQTHXLDKOYSHHY-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000799183614 640554119 /nfs/dbraw/zinc/55/41/19/640554119.db2.gz VRHDXFWGSAIRLE-CYBMUJFWSA-N 1 2 275.356 0.977 20 30 CCEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000799183614 640554123 /nfs/dbraw/zinc/55/41/23/640554123.db2.gz VRHDXFWGSAIRLE-CYBMUJFWSA-N 1 2 275.356 0.977 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000801942530 640678854 /nfs/dbraw/zinc/67/88/54/640678854.db2.gz SSQNFSDWMSAVOO-FRRDWIJNSA-N 1 2 266.341 0.985 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000801942530 640678860 /nfs/dbraw/zinc/67/88/60/640678860.db2.gz SSQNFSDWMSAVOO-FRRDWIJNSA-N 1 2 266.341 0.985 20 30 CCEDLO Cc1cc(C#N)cc(N2CC[NH+](CC[S@](C)=O)CC2)n1 ZINC000804498972 640769712 /nfs/dbraw/zinc/76/97/12/640769712.db2.gz WRVXMMFFYIRTSR-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001016301144 650712456 /nfs/dbraw/zinc/71/24/56/650712456.db2.gz SRWSAUNFJPYZOA-NWDGAFQWSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001016301144 650712459 /nfs/dbraw/zinc/71/24/59/650712459.db2.gz SRWSAUNFJPYZOA-NWDGAFQWSA-N 1 2 286.397 0.330 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000834498669 642587380 /nfs/dbraw/zinc/58/73/80/642587380.db2.gz BMSZLOGBIHBUJS-GMSGAONNSA-N 1 2 267.235 0.512 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#CC1CC1 ZINC000837584917 642755259 /nfs/dbraw/zinc/75/52/59/642755259.db2.gz VPKXWUGZUMZUJL-GFCCVEGCSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001017446147 650803234 /nfs/dbraw/zinc/80/32/34/650803234.db2.gz IZFIQGUDBXZQLZ-TXEJJXNPSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001017446147 650803239 /nfs/dbraw/zinc/80/32/39/650803239.db2.gz IZFIQGUDBXZQLZ-TXEJJXNPSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nnc[nH]1 ZINC001017454846 650803596 /nfs/dbraw/zinc/80/35/96/650803596.db2.gz QQNPTZGEJHBAIX-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nnc[nH]1 ZINC001017454846 650803598 /nfs/dbraw/zinc/80/35/98/650803598.db2.gz QQNPTZGEJHBAIX-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn(C)n1 ZINC001017528087 650809210 /nfs/dbraw/zinc/80/92/10/650809210.db2.gz OOXDSXDXXVGUBR-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn(C)n1 ZINC001017528087 650809212 /nfs/dbraw/zinc/80/92/12/650809212.db2.gz OOXDSXDXXVGUBR-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nccn2C1 ZINC001017671231 650817464 /nfs/dbraw/zinc/81/74/64/650817464.db2.gz ORMSTQSKQQCJNI-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nccn2C1 ZINC001017671231 650817466 /nfs/dbraw/zinc/81/74/66/650817466.db2.gz ORMSTQSKQQCJNI-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)[nH]1 ZINC001017954246 650837134 /nfs/dbraw/zinc/83/71/34/650837134.db2.gz APDLWNCVSGBJDS-PHIMTYICSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)[nH]1 ZINC001017954246 650837136 /nfs/dbraw/zinc/83/71/36/650837136.db2.gz APDLWNCVSGBJDS-PHIMTYICSA-N 1 2 286.335 0.036 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001017995720 650839271 /nfs/dbraw/zinc/83/92/71/650839271.db2.gz KIJMOMQTOIDKFU-OKILXGFUSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001017995720 650839272 /nfs/dbraw/zinc/83/92/72/650839272.db2.gz KIJMOMQTOIDKFU-OKILXGFUSA-N 1 2 270.336 0.789 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001018170194 650846897 /nfs/dbraw/zinc/84/68/97/650846897.db2.gz RSOSIVOZXFZYFP-AEGPPILISA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001018170194 650846899 /nfs/dbraw/zinc/84/68/99/650846899.db2.gz RSOSIVOZXFZYFP-AEGPPILISA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2c1 ZINC001018253708 650850167 /nfs/dbraw/zinc/85/01/67/650850167.db2.gz JYKVGYXNMQLLGV-BETUJISGSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2c1 ZINC001018253708 650850171 /nfs/dbraw/zinc/85/01/71/650850171.db2.gz JYKVGYXNMQLLGV-BETUJISGSA-N 1 2 295.346 0.880 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCN(O)C1=O ZINC000848133115 643602600 /nfs/dbraw/zinc/60/26/00/643602600.db2.gz ZRIKJTHBWJXTDD-WPRPVWTQSA-N 1 2 266.301 0.085 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCN(O)C1=O ZINC000848133115 643602604 /nfs/dbraw/zinc/60/26/04/643602604.db2.gz ZRIKJTHBWJXTDD-WPRPVWTQSA-N 1 2 266.301 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc[nH]1 ZINC001018287361 650851972 /nfs/dbraw/zinc/85/19/72/650851972.db2.gz YTANMKKONJPMBU-OKILXGFUSA-N 1 2 257.337 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc[nH]1 ZINC001018287361 650851973 /nfs/dbraw/zinc/85/19/73/650851973.db2.gz YTANMKKONJPMBU-OKILXGFUSA-N 1 2 257.337 0.866 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nncn2C1 ZINC001018302999 650852117 /nfs/dbraw/zinc/85/21/17/650852117.db2.gz UQGUGGBMVCZULQ-MELADBBJSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nncn2C1 ZINC001018302999 650852120 /nfs/dbraw/zinc/85/21/20/650852120.db2.gz UQGUGGBMVCZULQ-MELADBBJSA-N 1 2 299.378 0.149 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)OCC(=O)NCCC#N)ccn12 ZINC000848780039 643679341 /nfs/dbraw/zinc/67/93/41/643679341.db2.gz GPRMUCGJZUXPOM-UHFFFAOYSA-N 1 2 286.291 0.829 20 30 CCEDLO Cc1[nH+]cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)n1C ZINC000853307447 644096825 /nfs/dbraw/zinc/09/68/25/644096825.db2.gz JIMHAWRQCMHLIE-UHFFFAOYSA-N 1 2 286.299 0.557 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#CC1CC1 ZINC000855407585 644311141 /nfs/dbraw/zinc/31/11/41/644311141.db2.gz NNDYLQYSWXGXMX-NEPJUHHUSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#CC1CC1 ZINC000855407585 644311146 /nfs/dbraw/zinc/31/11/46/644311146.db2.gz NNDYLQYSWXGXMX-NEPJUHHUSA-N 1 2 250.342 0.625 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NC1CCCCCCC1 ZINC000136074128 644321748 /nfs/dbraw/zinc/32/17/48/644321748.db2.gz OUFXURBZIGTTCC-UHFFFAOYSA-N 1 2 271.361 0.887 20 30 CCEDLO O=C1CN=C(NN=C2CCN(c3cccc[nH+]3)CC2)N1 ZINC000863174863 645065635 /nfs/dbraw/zinc/06/56/35/645065635.db2.gz GRPHRQZPUWLATJ-UHFFFAOYSA-N 1 2 272.312 0.113 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000279292823 650979469 /nfs/dbraw/zinc/97/94/69/650979469.db2.gz YFTGMFJJNUHXHD-CYBMUJFWSA-N 1 2 299.378 0.766 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CCCOC1 ZINC000864885434 645301275 /nfs/dbraw/zinc/30/12/75/645301275.db2.gz XXKPIXGLOUNSMV-AAEUAGOBSA-N 1 2 262.313 0.708 20 30 CCEDLO N#CCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865167140 645333989 /nfs/dbraw/zinc/33/39/89/645333989.db2.gz KOTLCOMMVYYSSS-SNAWJCMRSA-N 1 2 251.330 0.685 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncc3nc[nH]c32)C1 ZINC001020178775 651046820 /nfs/dbraw/zinc/04/68/20/651046820.db2.gz DRMKHBLTMBIZPJ-MGCOHNPYSA-N 1 2 269.308 0.442 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@H](NCC#N)C1)C2 ZINC001020316962 651059022 /nfs/dbraw/zinc/05/90/22/651059022.db2.gz WMFDEHJZUKYINS-SRVKXCTJSA-N 1 2 287.367 0.583 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@H](NCC#N)C1)CC2 ZINC001020316962 651059026 /nfs/dbraw/zinc/05/90/26/651059026.db2.gz WMFDEHJZUKYINS-SRVKXCTJSA-N 1 2 287.367 0.583 20 30 CCEDLO CC(C)(C#N)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877323746 646793864 /nfs/dbraw/zinc/79/38/64/646793864.db2.gz YXQUIERYSURISZ-UHFFFAOYSA-N 1 2 267.354 0.973 20 30 CCEDLO C=C(Br)C[NH+]1CCC(CO)(CO)CC1 ZINC000879968883 647136918 /nfs/dbraw/zinc/13/69/18/647136918.db2.gz ZSVJXLHJICXLAN-UHFFFAOYSA-N 1 2 264.163 0.962 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H](C)N1CC#N ZINC000880459949 647203681 /nfs/dbraw/zinc/20/36/81/647203681.db2.gz MHQVELMAGZRZFW-CHWSQXEVSA-N 1 2 275.356 0.718 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC3(CC3)C(=O)O2)nn1 ZINC000881372835 647307761 /nfs/dbraw/zinc/30/77/61/647307761.db2.gz RMCOOFHDUBWHAY-LBPRGKRZSA-N 1 2 274.324 0.487 20 30 CCEDLO NC(CCO)=[NH+]OCc1cnn(-c2ccccc2)n1 ZINC000136067581 647867197 /nfs/dbraw/zinc/86/71/97/647867197.db2.gz FGSMSHNGBGAGDB-UHFFFAOYSA-N 1 2 261.285 0.439 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925597103 648446241 /nfs/dbraw/zinc/44/62/41/648446241.db2.gz GHVDXXRMYVWYCT-UONOGXRCSA-N 1 2 297.399 0.171 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(N)nc1 ZINC000929775187 648789697 /nfs/dbraw/zinc/78/96/97/648789697.db2.gz WYXFEOZLYODVGC-UHFFFAOYSA-N 1 2 289.383 0.712 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000930635196 648884473 /nfs/dbraw/zinc/88/44/73/648884473.db2.gz UFPKPMVESOPPTK-LLVKDONJSA-N 1 2 264.304 0.617 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198061 648963615 /nfs/dbraw/zinc/96/36/15/648963615.db2.gz KJLHYAIOHWQNFT-SNVBAGLBSA-N 1 2 291.355 0.244 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198061 648963617 /nfs/dbraw/zinc/96/36/17/648963617.db2.gz KJLHYAIOHWQNFT-SNVBAGLBSA-N 1 2 291.355 0.244 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932956801 649105667 /nfs/dbraw/zinc/10/56/67/649105667.db2.gz VPFABKOYXVLVBL-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932956801 649105671 /nfs/dbraw/zinc/10/56/71/649105671.db2.gz VPFABKOYXVLVBL-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000049126331 649330191 /nfs/dbraw/zinc/33/01/91/649330191.db2.gz GHNCKFFWQYCERZ-UHFFFAOYSA-N 1 2 293.396 0.685 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000049126331 649330193 /nfs/dbraw/zinc/33/01/93/649330193.db2.gz GHNCKFFWQYCERZ-UHFFFAOYSA-N 1 2 293.396 0.685 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230042044 805579075 /nfs/dbraw/zinc/57/90/75/805579075.db2.gz DBQMURWGWMRJRG-GQTXGERZSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230042044 805579083 /nfs/dbraw/zinc/57/90/83/805579083.db2.gz DBQMURWGWMRJRG-GQTXGERZSA-N 1 2 257.293 0.944 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCNC(=O)CSCC#N)cn1 ZINC001266258279 790342062 /nfs/dbraw/zinc/34/20/62/790342062.db2.gz JDPUNYOCLZZTBN-UHFFFAOYSA-N 1 2 293.396 0.590 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCNC(=O)CSCC#N)cn1 ZINC001266258279 790342070 /nfs/dbraw/zinc/34/20/70/790342070.db2.gz JDPUNYOCLZZTBN-UHFFFAOYSA-N 1 2 293.396 0.590 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCCO2)CC1 ZINC001266279101 790386185 /nfs/dbraw/zinc/38/61/85/790386185.db2.gz DIHBYWAPIRGRPX-OAHLLOKOSA-N 1 2 293.411 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039026348 790405041 /nfs/dbraw/zinc/40/50/41/790405041.db2.gz TUQPGLSMLJVURC-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039026348 790405042 /nfs/dbraw/zinc/40/50/42/790405042.db2.gz TUQPGLSMLJVURC-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1nccnc1C#N ZINC001104226390 790451961 /nfs/dbraw/zinc/45/19/61/790451961.db2.gz PXQNPPJOJPMJNV-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319155 790497684 /nfs/dbraw/zinc/49/76/84/790497684.db2.gz HWULGMMEHWLWDP-TZMCWYRMSA-N 1 2 291.395 0.505 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319155 790497688 /nfs/dbraw/zinc/49/76/88/790497688.db2.gz HWULGMMEHWLWDP-TZMCWYRMSA-N 1 2 291.395 0.505 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001038035714 790499727 /nfs/dbraw/zinc/49/97/27/790499727.db2.gz MPGRALCQVSJWQI-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001038035714 790499731 /nfs/dbraw/zinc/49/97/31/790499731.db2.gz MPGRALCQVSJWQI-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266343001 790548004 /nfs/dbraw/zinc/54/80/04/790548004.db2.gz WGWYNYDADDBUCE-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266343001 790548016 /nfs/dbraw/zinc/54/80/16/790548016.db2.gz WGWYNYDADDBUCE-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001266362220 790587773 /nfs/dbraw/zinc/58/77/73/790587773.db2.gz ZOSOXYIYPRKPRC-NWDGAFQWSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001266362220 790587782 /nfs/dbraw/zinc/58/77/82/790587782.db2.gz ZOSOXYIYPRKPRC-NWDGAFQWSA-N 1 2 288.413 0.434 20 30 CCEDLO C[C@@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1CC1 ZINC001266362361 790590568 /nfs/dbraw/zinc/59/05/68/790590568.db2.gz FPTKOUFMSDCRDH-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1CC1 ZINC001266362361 790590581 /nfs/dbraw/zinc/59/05/81/790590581.db2.gz FPTKOUFMSDCRDH-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C[C@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1CC1 ZINC001266362360 790592203 /nfs/dbraw/zinc/59/22/03/790592203.db2.gz FPTKOUFMSDCRDH-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO C[C@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1CC1 ZINC001266362360 790592213 /nfs/dbraw/zinc/59/22/13/790592213.db2.gz FPTKOUFMSDCRDH-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN4C(=O)COC[C@@H]4C3)c12 ZINC001167226573 790714278 /nfs/dbraw/zinc/71/42/78/790714278.db2.gz OKZPTCOPAFKQSZ-NSHDSACASA-N 1 2 297.318 0.482 20 30 CCEDLO CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230681841 805647018 /nfs/dbraw/zinc/64/70/18/805647018.db2.gz OYTIABJMUUVPJR-ZDUSSCGKSA-N 1 2 268.357 0.205 20 30 CCEDLO CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230681841 805647021 /nfs/dbraw/zinc/64/70/21/805647021.db2.gz OYTIABJMUUVPJR-ZDUSSCGKSA-N 1 2 268.357 0.205 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230802617 805669950 /nfs/dbraw/zinc/66/99/50/805669950.db2.gz KELGBGPCJJVOQJ-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230802617 805669954 /nfs/dbraw/zinc/66/99/54/805669954.db2.gz KELGBGPCJJVOQJ-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230896593 805685698 /nfs/dbraw/zinc/68/56/98/805685698.db2.gz KYQIYPJLYAAOOI-NJFCNUMCSA-N 1 2 275.308 0.172 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230896593 805685704 /nfs/dbraw/zinc/68/57/04/805685704.db2.gz KYQIYPJLYAAOOI-NJFCNUMCSA-N 1 2 275.308 0.172 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC001231208317 805750972 /nfs/dbraw/zinc/75/09/72/805750972.db2.gz HJZGSFVLPKTSGR-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC001231208317 805750974 /nfs/dbraw/zinc/75/09/74/805750974.db2.gz HJZGSFVLPKTSGR-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247627 805758965 /nfs/dbraw/zinc/75/89/65/805758965.db2.gz PSXYJPYJBOJQSJ-QWHCGFSZSA-N 1 2 294.399 0.546 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247627 805758973 /nfs/dbraw/zinc/75/89/73/805758973.db2.gz PSXYJPYJBOJQSJ-QWHCGFSZSA-N 1 2 294.399 0.546 20 30 CCEDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(F)c1C#N ZINC001233098757 806020284 /nfs/dbraw/zinc/02/02/84/806020284.db2.gz NDIBBHKKTKYVSQ-GFCCVEGCSA-N 1 2 293.342 0.956 20 30 CCEDLO CN(C)c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(F)c1C#N ZINC001233098757 806020292 /nfs/dbraw/zinc/02/02/92/806020292.db2.gz NDIBBHKKTKYVSQ-GFCCVEGCSA-N 1 2 293.342 0.956 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001266711305 791167793 /nfs/dbraw/zinc/16/77/93/791167793.db2.gz SETVEVCAGNGBIE-UHIISALHSA-N 1 2 292.387 0.549 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001233386718 806051635 /nfs/dbraw/zinc/05/16/35/806051635.db2.gz GEUTVFQPUYVPJD-CYBMUJFWSA-N 1 2 287.319 0.307 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CCCO)CC2)c(O)c1 ZINC001233384428 806054185 /nfs/dbraw/zinc/05/41/85/806054185.db2.gz VTJRBKRANWMJBO-UHFFFAOYSA-N 1 2 275.352 0.764 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001233384428 806054194 /nfs/dbraw/zinc/05/41/94/806054194.db2.gz VTJRBKRANWMJBO-UHFFFAOYSA-N 1 2 275.352 0.764 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001100556439 791379622 /nfs/dbraw/zinc/37/96/22/791379622.db2.gz QJWDUEVDAOJFTC-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001267205184 791670456 /nfs/dbraw/zinc/67/04/56/791670456.db2.gz VRPYZRKTOKRZEM-MJBXVCDLSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001267205184 791670464 /nfs/dbraw/zinc/67/04/64/791670464.db2.gz VRPYZRKTOKRZEM-MJBXVCDLSA-N 1 2 293.411 0.773 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001038250600 791715675 /nfs/dbraw/zinc/71/56/75/791715675.db2.gz MTLUUGPBWHKSDC-GFCCVEGCSA-N 1 2 287.367 0.370 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001038250600 791715686 /nfs/dbraw/zinc/71/56/86/791715686.db2.gz MTLUUGPBWHKSDC-GFCCVEGCSA-N 1 2 287.367 0.370 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(C#N)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233709489 806108769 /nfs/dbraw/zinc/10/87/69/806108769.db2.gz INCABKXALSUZMM-PINQPDRWSA-N 1 2 258.281 0.339 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(C#N)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233709489 806108771 /nfs/dbraw/zinc/10/87/71/806108771.db2.gz INCABKXALSUZMM-PINQPDRWSA-N 1 2 258.281 0.339 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC#C ZINC001233946880 806154723 /nfs/dbraw/zinc/15/47/23/806154723.db2.gz FKLWOCVOHIWRCM-CQSZACIVSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC#C ZINC001233946880 806154727 /nfs/dbraw/zinc/15/47/27/806154727.db2.gz FKLWOCVOHIWRCM-CQSZACIVSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001233965802 806159614 /nfs/dbraw/zinc/15/96/14/806159614.db2.gz FNUIMDBCLMBEMZ-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001233965802 806159618 /nfs/dbraw/zinc/15/96/18/806159618.db2.gz FNUIMDBCLMBEMZ-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO Cn1ccnc1C[N@H+](C)CCCNC(=O)CSCC#N ZINC001234146230 806190623 /nfs/dbraw/zinc/19/06/23/806190623.db2.gz FZFBUTIUNPAWAU-UHFFFAOYSA-N 1 2 295.412 0.615 20 30 CCEDLO Cn1ccnc1C[N@@H+](C)CCCNC(=O)CSCC#N ZINC001234146230 806190625 /nfs/dbraw/zinc/19/06/25/806190625.db2.gz FZFBUTIUNPAWAU-UHFFFAOYSA-N 1 2 295.412 0.615 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234160492 806192118 /nfs/dbraw/zinc/19/21/18/806192118.db2.gz HLQVUIAPOUEMCM-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234160492 806192122 /nfs/dbraw/zinc/19/21/22/806192122.db2.gz HLQVUIAPOUEMCM-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001234172066 806196090 /nfs/dbraw/zinc/19/60/90/806196090.db2.gz VGWJMDKHNRHIBV-KBPBESRZSA-N 1 2 293.411 0.655 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001234172066 806196092 /nfs/dbraw/zinc/19/60/92/806196092.db2.gz VGWJMDKHNRHIBV-KBPBESRZSA-N 1 2 293.411 0.655 20 30 CCEDLO CN(C[C@@H]1CCN1Cc1c[nH+]cn1C)C(=O)C#CC1CC1 ZINC001234179631 806198007 /nfs/dbraw/zinc/19/80/07/806198007.db2.gz XRFRIASXYMJFBC-AWEZNQCLSA-N 1 2 286.379 0.866 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124648 806373135 /nfs/dbraw/zinc/37/31/35/806373135.db2.gz SGMIYHASGZWGAV-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124648 806373146 /nfs/dbraw/zinc/37/31/46/806373146.db2.gz SGMIYHASGZWGAV-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC001235684335 806492316 /nfs/dbraw/zinc/49/23/16/806492316.db2.gz XGZAZSXPLUWBEY-NSHDSACASA-N 1 2 295.387 0.815 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC001235684335 806492321 /nfs/dbraw/zinc/49/23/21/806492321.db2.gz XGZAZSXPLUWBEY-NSHDSACASA-N 1 2 295.387 0.815 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)O)n2CC=C)CC1 ZINC001121697868 799064628 /nfs/dbraw/zinc/06/46/28/799064628.db2.gz GEWMDCYTOSWGQL-UHFFFAOYSA-N 1 2 289.383 0.447 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121750042 799068152 /nfs/dbraw/zinc/06/81/52/799068152.db2.gz WCYIHVLGYUJARL-JQWIXIFHSA-N 1 2 294.355 0.265 20 30 CCEDLO COC(=O)c1cc(C#N)cc(C)c1NS(=O)(=O)CC[NH3+] ZINC001237984414 806739457 /nfs/dbraw/zinc/73/94/57/806739457.db2.gz DXYZTPOOFDVZKS-UHFFFAOYSA-N 1 2 297.336 0.354 20 30 CCEDLO C=CCOCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001123544736 799430723 /nfs/dbraw/zinc/43/07/23/799430723.db2.gz PFXLHEAVUAOLLK-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123796725 799476348 /nfs/dbraw/zinc/47/63/48/799476348.db2.gz ZOMFKJASSIDKTK-QWHCGFSZSA-N 1 2 266.389 0.285 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123796725 799476349 /nfs/dbraw/zinc/47/63/49/799476349.db2.gz ZOMFKJASSIDKTK-QWHCGFSZSA-N 1 2 266.389 0.285 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124278271 799587012 /nfs/dbraw/zinc/58/70/12/799587012.db2.gz HMIDKMOFTWRZOT-CYBMUJFWSA-N 1 2 290.367 0.820 20 30 CCEDLO CC[C@@H](C(=O)N[C@@H](C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC001138235064 799712759 /nfs/dbraw/zinc/71/27/59/799712759.db2.gz ABVMKZJBIVULCE-SRVKXCTJSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@@H](C(=O)N[C@@H](C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC001138235064 799712761 /nfs/dbraw/zinc/71/27/61/799712761.db2.gz ABVMKZJBIVULCE-SRVKXCTJSA-N 1 2 253.346 0.904 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001138458524 799729533 /nfs/dbraw/zinc/72/95/33/799729533.db2.gz XCBDSANEAMBSCK-JTQLQIEISA-N 1 2 269.308 0.838 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(OC)nc2OC)CC1 ZINC001139235248 799799243 /nfs/dbraw/zinc/79/92/43/799799243.db2.gz WIRODBQLBHJITL-UHFFFAOYSA-N 1 2 276.340 0.245 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150372528 800331424 /nfs/dbraw/zinc/33/14/24/800331424.db2.gz RLCGCOQVHPLQRL-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150372528 800331430 /nfs/dbraw/zinc/33/14/30/800331430.db2.gz RLCGCOQVHPLQRL-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO O=C(CC#Cc1ccccc1)NCC[NH2+]Cc1cnon1 ZINC001151958567 800474678 /nfs/dbraw/zinc/47/46/78/800474678.db2.gz KKTYOMHXZFZPAK-UHFFFAOYSA-N 1 2 284.319 0.717 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCO[C@H](C#N)C3)sc2C1 ZINC001154218503 800742787 /nfs/dbraw/zinc/74/27/87/800742787.db2.gz JBMFDYWXCUMNNA-SECBINFHSA-N 1 2 292.364 0.496 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCO[C@H](C#N)C3)sc2C1 ZINC001154218503 800742790 /nfs/dbraw/zinc/74/27/90/800742790.db2.gz JBMFDYWXCUMNNA-SECBINFHSA-N 1 2 292.364 0.496 20 30 CCEDLO COc1cc(C#N)nc(NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001155197416 800928747 /nfs/dbraw/zinc/92/87/47/800928747.db2.gz VDDRWXJUQXMUNC-LBPRGKRZSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)nc(NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001155197416 800928751 /nfs/dbraw/zinc/92/87/51/800928751.db2.gz VDDRWXJUQXMUNC-LBPRGKRZSA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCOc1cc(C)nc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)n1 ZINC001156248766 801138705 /nfs/dbraw/zinc/13/87/05/801138705.db2.gz IZKLYJDHUMRMCB-QWRGUYRKSA-N 1 2 292.339 0.665 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)C[NH2+]1 ZINC001156249126 801139903 /nfs/dbraw/zinc/13/99/03/801139903.db2.gz AFKUELWMHDMYQN-AAEUAGOBSA-N 1 2 286.335 0.757 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156889066 801255383 /nfs/dbraw/zinc/25/53/83/801255383.db2.gz FQLCVTJZFBSQNR-LLVKDONJSA-N 1 2 299.334 0.495 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156889066 801255392 /nfs/dbraw/zinc/25/53/92/801255392.db2.gz FQLCVTJZFBSQNR-LLVKDONJSA-N 1 2 299.334 0.495 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747282 801470109 /nfs/dbraw/zinc/47/01/09/801470109.db2.gz AIMYFLDOQGDEIP-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747282 801470111 /nfs/dbraw/zinc/47/01/11/801470111.db2.gz AIMYFLDOQGDEIP-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(C#N)cc1C#N ZINC001157770537 801477440 /nfs/dbraw/zinc/47/74/40/801477440.db2.gz LQGNWWUQZFBMSS-LBPRGKRZSA-N 1 2 285.307 0.118 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(C#N)cc1C#N ZINC001157770537 801477444 /nfs/dbraw/zinc/47/74/44/801477444.db2.gz LQGNWWUQZFBMSS-LBPRGKRZSA-N 1 2 285.307 0.118 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(F)cc2C#N)C[NH2+]1 ZINC001158254141 801603101 /nfs/dbraw/zinc/60/31/01/801603101.db2.gz OUHORKWVPLCFOJ-ZJUUUORDSA-N 1 2 264.260 0.408 20 30 CCEDLO C=CC(C)(C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001158887459 801719987 /nfs/dbraw/zinc/71/99/87/801719987.db2.gz ZDJIZCAGNOMPFG-UHFFFAOYSA-N 1 2 280.376 0.408 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1Nc1nccnc1C[NH3+] ZINC001160250878 801924241 /nfs/dbraw/zinc/92/42/41/801924241.db2.gz RPDQEUJFPYUOSL-UHFFFAOYSA-N 1 2 280.295 0.775 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161314684 802124169 /nfs/dbraw/zinc/12/41/69/802124169.db2.gz HEDLOGDEPNSPCJ-NSHDSACASA-N 1 2 261.329 0.065 20 30 CCEDLO C#CC[NH2+]CCCNC(=O)C1CCc2nc(C)[nH]c2C1 ZINC001161323270 802127215 /nfs/dbraw/zinc/12/72/15/802127215.db2.gz HIZMWZWHGORBAI-GFCCVEGCSA-N 1 2 274.368 0.552 20 30 CCEDLO CSc1ncc(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162680887 802388267 /nfs/dbraw/zinc/38/82/67/802388267.db2.gz REBPPXSDMZATTG-SNVBAGLBSA-N 1 2 279.369 0.235 20 30 CCEDLO CSc1ncc(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162680887 802388277 /nfs/dbraw/zinc/38/82/77/802388277.db2.gz REBPPXSDMZATTG-SNVBAGLBSA-N 1 2 279.369 0.235 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc3ncccc3cc2C#N)C[NH2+]1 ZINC001164305570 802715861 /nfs/dbraw/zinc/71/58/61/802715861.db2.gz YMTNSAJSHYRZSR-RYUDHWBXSA-N 1 2 297.318 0.817 20 30 CCEDLO N#Cc1ncc(N2CC[NH2+]CC(F)(F)C2)nc1C#N ZINC001164498053 802749162 /nfs/dbraw/zinc/74/91/62/802749162.db2.gz OLUJSCSFHUYQAH-UHFFFAOYSA-N 1 2 264.239 0.265 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267748207 811737902 /nfs/dbraw/zinc/73/79/02/811737902.db2.gz SKOOAUKGJWRVHC-GFCCVEGCSA-N 1 2 292.383 0.253 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267748207 811737907 /nfs/dbraw/zinc/73/79/07/811737907.db2.gz SKOOAUKGJWRVHC-GFCCVEGCSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@@H](O)C1 ZINC001083433129 814935254 /nfs/dbraw/zinc/93/52/54/814935254.db2.gz XALCCCKUCOESEZ-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@@H](O)C1 ZINC001083433129 814935258 /nfs/dbraw/zinc/93/52/58/814935258.db2.gz XALCCCKUCOESEZ-NEPJUHHUSA-N 1 2 262.309 0.250 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208309058 803504243 /nfs/dbraw/zinc/50/42/43/803504243.db2.gz AWXMKPFGEZQFOV-NXEZZACHSA-N 1 2 253.346 0.120 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208309058 803504246 /nfs/dbraw/zinc/50/42/46/803504246.db2.gz AWXMKPFGEZQFOV-NXEZZACHSA-N 1 2 253.346 0.120 20 30 CCEDLO C=CCN(CC[NH+]1CC(N2CC(F)C2)C1)C(=O)OCC ZINC001209015957 803563777 /nfs/dbraw/zinc/56/37/77/803563777.db2.gz CGNVQCXQQKKXTR-UHFFFAOYSA-N 1 2 285.363 0.969 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC001088576525 814946540 /nfs/dbraw/zinc/94/65/40/814946540.db2.gz UHLCBCYOWKPRKY-ZJUUUORDSA-N 1 2 279.365 0.978 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC001088576525 814946543 /nfs/dbraw/zinc/94/65/43/814946543.db2.gz UHLCBCYOWKPRKY-ZJUUUORDSA-N 1 2 279.365 0.978 20 30 CCEDLO Cc1n[nH]cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001209557700 803611581 /nfs/dbraw/zinc/61/15/81/803611581.db2.gz XTLAHMGHBORLRW-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OC)[C@H]2C1 ZINC001218441175 803956255 /nfs/dbraw/zinc/95/62/55/803956255.db2.gz ZCCBGIKBVKTVQB-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OC)[C@H]2C1 ZINC001218441175 803956263 /nfs/dbraw/zinc/95/62/63/803956263.db2.gz ZCCBGIKBVKTVQB-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC001212061663 814987353 /nfs/dbraw/zinc/98/73/53/814987353.db2.gz ASRVZHLLYCZTMS-HUUCEWRRSA-N 1 2 292.379 0.418 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC001212061663 814987358 /nfs/dbraw/zinc/98/73/58/814987358.db2.gz ASRVZHLLYCZTMS-HUUCEWRRSA-N 1 2 292.379 0.418 20 30 CCEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218979046 804173171 /nfs/dbraw/zinc/17/31/71/804173171.db2.gz HFUKCIMDWGCZSO-NSHDSACASA-N 1 2 261.281 0.494 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@@H](O)C1 ZINC001219234883 804242829 /nfs/dbraw/zinc/24/28/29/804242829.db2.gz DLLCTBNLTWQJRR-MCIONIFRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@@H](O)C1 ZINC001219234883 804242834 /nfs/dbraw/zinc/24/28/34/804242834.db2.gz DLLCTBNLTWQJRR-MCIONIFRSA-N 1 2 266.385 0.997 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219344122 804279422 /nfs/dbraw/zinc/27/94/22/804279422.db2.gz AYSRXKWKDBCBTC-NEPJUHHUSA-N 1 2 281.381 0.771 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219344122 804279427 /nfs/dbraw/zinc/27/94/27/804279427.db2.gz AYSRXKWKDBCBTC-NEPJUHHUSA-N 1 2 281.381 0.771 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219381330 804291694 /nfs/dbraw/zinc/29/16/94/804291694.db2.gz PCCCZJPBDFYXJV-YIZRAAEISA-N 1 2 279.262 0.260 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219381330 804291700 /nfs/dbraw/zinc/29/17/00/804291700.db2.gz PCCCZJPBDFYXJV-YIZRAAEISA-N 1 2 279.262 0.260 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219389943 804295043 /nfs/dbraw/zinc/29/50/43/804295043.db2.gz LSKDBDWRAWMQBY-MNOVXSKESA-N 1 2 268.357 0.339 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219389943 804295048 /nfs/dbraw/zinc/29/50/48/804295048.db2.gz LSKDBDWRAWMQBY-MNOVXSKESA-N 1 2 268.357 0.339 20 30 CCEDLO CCCC#CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001272111546 815014153 /nfs/dbraw/zinc/01/41/53/815014153.db2.gz GVVKXQAICBDKAT-UHFFFAOYSA-N 1 2 286.379 0.973 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667544 804399478 /nfs/dbraw/zinc/39/94/78/804399478.db2.gz BSGZSWWPSUNVNS-VGMNWLOBSA-N 1 2 284.253 0.624 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667544 804399487 /nfs/dbraw/zinc/39/94/87/804399487.db2.gz BSGZSWWPSUNVNS-VGMNWLOBSA-N 1 2 284.253 0.624 20 30 CCEDLO CCCC#CC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001272112082 815015019 /nfs/dbraw/zinc/01/50/19/815015019.db2.gz LXPUHQQWWSRFRA-LSDHHAIUSA-N 1 2 294.395 0.943 20 30 CCEDLO CCCC#CC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001272112082 815015025 /nfs/dbraw/zinc/01/50/25/815015025.db2.gz LXPUHQQWWSRFRA-LSDHHAIUSA-N 1 2 294.395 0.943 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001220242146 804546291 /nfs/dbraw/zinc/54/62/91/804546291.db2.gz MZANTOPOHRKRPY-OLZOCXBDSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001220242146 804546297 /nfs/dbraw/zinc/54/62/97/804546297.db2.gz MZANTOPOHRKRPY-OLZOCXBDSA-N 1 2 297.399 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220381608 804589898 /nfs/dbraw/zinc/58/98/98/804589898.db2.gz SRQTUKBRNCHIEG-AEJSXWLSSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220381608 804589905 /nfs/dbraw/zinc/58/99/05/804589905.db2.gz SRQTUKBRNCHIEG-AEJSXWLSSA-N 1 2 260.284 0.072 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001222636017 804922535 /nfs/dbraw/zinc/92/25/35/804922535.db2.gz GJOZAASHJMVADC-LLVKDONJSA-N 1 2 290.371 0.303 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccoc1 ZINC001276834269 804930176 /nfs/dbraw/zinc/93/01/76/804930176.db2.gz JUROZJBEZPDUDS-AWEZNQCLSA-N 1 2 276.336 0.662 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccoc1 ZINC001276834269 804930179 /nfs/dbraw/zinc/93/01/79/804930179.db2.gz JUROZJBEZPDUDS-AWEZNQCLSA-N 1 2 276.336 0.662 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(C)o1 ZINC001276836632 804933867 /nfs/dbraw/zinc/93/38/67/804933867.db2.gz ZBOBDFRGIXIVSD-AWEZNQCLSA-N 1 2 290.363 0.971 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(C)o1 ZINC001276836632 804933873 /nfs/dbraw/zinc/93/38/73/804933873.db2.gz ZBOBDFRGIXIVSD-AWEZNQCLSA-N 1 2 290.363 0.971 20 30 CCEDLO C=C(CO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1)C(=O)OCC ZINC001224358702 805029465 /nfs/dbraw/zinc/02/94/65/805029465.db2.gz SGUKLROWPWXTNC-MNOVXSKESA-N 1 2 271.313 0.368 20 30 CCEDLO C=C(CO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1)C(=O)OCC ZINC001224358702 805029473 /nfs/dbraw/zinc/02/94/73/805029473.db2.gz SGUKLROWPWXTNC-MNOVXSKESA-N 1 2 271.313 0.368 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001276980599 805054175 /nfs/dbraw/zinc/05/41/75/805054175.db2.gz VGSJDRWAVCOOKJ-HIFRSBDPSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001276980599 805054183 /nfs/dbraw/zinc/05/41/83/805054183.db2.gz VGSJDRWAVCOOKJ-HIFRSBDPSA-N 1 2 279.384 0.361 20 30 CCEDLO CN(CCN(C)c1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576146 815063987 /nfs/dbraw/zinc/06/39/87/815063987.db2.gz ONKXYEWSOPMPCW-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO N#CCN1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227091182 805320503 /nfs/dbraw/zinc/32/05/03/805320503.db2.gz KUWDLCNLTKTJAX-UHFFFAOYSA-N 1 2 261.329 0.446 20 30 CCEDLO C[C@H](CC(=O)NC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001229384475 805529028 /nfs/dbraw/zinc/52/90/28/805529028.db2.gz GJQNTLKEZUONAJ-GFCCVEGCSA-N 1 2 275.356 0.938 20 30 CCEDLO Cc1oc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251005912 807637686 /nfs/dbraw/zinc/63/76/86/807637686.db2.gz AJKLJGCDFHDVEP-LBPRGKRZSA-N 1 2 279.340 0.873 20 30 CCEDLO C#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC001251012570 807641672 /nfs/dbraw/zinc/64/16/72/807641672.db2.gz VPXADMDBZROIOB-CQSZACIVSA-N 1 2 261.325 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)OC)CC1 ZINC001251472336 807684268 /nfs/dbraw/zinc/68/42/68/807684268.db2.gz RYZRYYONXRJKNS-UHFFFAOYSA-N 1 2 255.318 0.063 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001251472336 807684274 /nfs/dbraw/zinc/68/42/74/807684274.db2.gz RYZRYYONXRJKNS-UHFFFAOYSA-N 1 2 255.318 0.063 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001251847208 807716739 /nfs/dbraw/zinc/71/67/39/807716739.db2.gz BDMZGIZQEQDYFA-GFCCVEGCSA-N 1 2 262.309 0.155 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC=C ZINC001251887589 807734848 /nfs/dbraw/zinc/73/48/48/807734848.db2.gz GBNLCRLFUSTTOJ-KGLIPLIRSA-N 1 2 283.368 0.731 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001252464408 807878042 /nfs/dbraw/zinc/87/80/42/807878042.db2.gz YSXABHDBWVFLRN-CYBMUJFWSA-N 1 2 295.383 0.799 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001252464408 807878050 /nfs/dbraw/zinc/87/80/50/807878050.db2.gz YSXABHDBWVFLRN-CYBMUJFWSA-N 1 2 295.383 0.799 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001253581937 808088172 /nfs/dbraw/zinc/08/81/72/808088172.db2.gz LDOIHYZEFJDNLG-MCIONIFRSA-N 1 2 252.358 0.328 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001253581937 808088182 /nfs/dbraw/zinc/08/81/82/808088182.db2.gz LDOIHYZEFJDNLG-MCIONIFRSA-N 1 2 252.358 0.328 20 30 CCEDLO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278761895 808181235 /nfs/dbraw/zinc/18/12/35/808181235.db2.gz KFPMBPGIOVMDFQ-IUCAKERBSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278761895 808181237 /nfs/dbraw/zinc/18/12/37/808181237.db2.gz KFPMBPGIOVMDFQ-IUCAKERBSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCN(CC#C)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001254133776 808188430 /nfs/dbraw/zinc/18/84/30/808188430.db2.gz BFPNZHKAISZETN-UHFFFAOYSA-N 1 2 281.319 0.223 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001278857883 808345010 /nfs/dbraw/zinc/34/50/10/808345010.db2.gz ULQXGJQOIKMITC-LLVKDONJSA-N 1 2 250.342 0.219 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126893292 815197294 /nfs/dbraw/zinc/19/72/94/815197294.db2.gz KFKIWLCOQIQXLM-UHFFFAOYSA-N 1 2 278.356 0.887 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255358667 808349139 /nfs/dbraw/zinc/34/91/39/808349139.db2.gz WISCBXLKQFWBQV-FRRDWIJNSA-N 1 2 265.357 0.906 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001278862982 808352104 /nfs/dbraw/zinc/35/21/04/808352104.db2.gz GJSXISKZMZLEFH-STQMWFEESA-N 1 2 282.359 0.701 20 30 CCEDLO CC[C@H](C[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1)OC ZINC001278863706 808353605 /nfs/dbraw/zinc/35/36/05/808353605.db2.gz OTYXNMBLOHVXMN-CYBMUJFWSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ncccc2F)C1 ZINC001278919604 808481718 /nfs/dbraw/zinc/48/17/18/808481718.db2.gz WARTZAHZXXEMJY-UHFFFAOYSA-N 1 2 277.299 0.021 20 30 CCEDLO CCOC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](C)O ZINC001256956470 808572087 /nfs/dbraw/zinc/57/20/87/808572087.db2.gz UVBJCFCTQSZZHX-YYJSSNLHSA-N 1 2 254.330 0.971 20 30 CCEDLO C=C1CCN(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001262856570 809417578 /nfs/dbraw/zinc/41/75/78/809417578.db2.gz QOIDEFCSOQYOPP-WFASDCNBSA-N 1 2 291.399 0.883 20 30 CCEDLO C=C1CCN(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001262856570 809417582 /nfs/dbraw/zinc/41/75/82/809417582.db2.gz QOIDEFCSOQYOPP-WFASDCNBSA-N 1 2 291.399 0.883 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001265271049 809738538 /nfs/dbraw/zinc/73/85/38/809738538.db2.gz QMWUFVZERANRRA-NWDGAFQWSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001265271049 809738541 /nfs/dbraw/zinc/73/85/41/809738541.db2.gz QMWUFVZERANRRA-NWDGAFQWSA-N 1 2 267.373 0.525 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001265401543 809773109 /nfs/dbraw/zinc/77/31/09/809773109.db2.gz XXSOUXHAGJLGPZ-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001265401543 809773111 /nfs/dbraw/zinc/77/31/11/809773111.db2.gz XXSOUXHAGJLGPZ-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCNC(=O)[C@H](C)C#N)[nH]1 ZINC001265814590 809861080 /nfs/dbraw/zinc/86/10/80/809861080.db2.gz BCXYLYWSLFXRQE-NXEZZACHSA-N 1 2 278.360 0.772 20 30 CCEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H](C)C#N)[nH]1 ZINC001265814590 809861082 /nfs/dbraw/zinc/86/10/82/809861082.db2.gz BCXYLYWSLFXRQE-NXEZZACHSA-N 1 2 278.360 0.772 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280292132 810011604 /nfs/dbraw/zinc/01/16/04/810011604.db2.gz CEWWATYWLXKKGM-GHMZBOCLSA-N 1 2 288.351 0.375 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001076886997 815405210 /nfs/dbraw/zinc/40/52/10/815405210.db2.gz KRXMTXAFYZDZDH-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001076886997 815405216 /nfs/dbraw/zinc/40/52/16/815405216.db2.gz KRXMTXAFYZDZDH-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001058562226 811321567 /nfs/dbraw/zinc/32/15/67/811321567.db2.gz GFXGBXGOJPQPNI-LLVKDONJSA-N 1 2 297.322 0.009 20 30 CCEDLO Cc1nonc1C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776564 811322379 /nfs/dbraw/zinc/32/23/79/811322379.db2.gz RXWPFCCXEAEUTB-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001077077356 815442650 /nfs/dbraw/zinc/44/26/50/815442650.db2.gz JVFISNPNPKGYIG-OUCADQQQSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001077077356 815442652 /nfs/dbraw/zinc/44/26/52/815442652.db2.gz JVFISNPNPKGYIG-OUCADQQQSA-N 1 2 290.367 0.262 20 30 CCEDLO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001267537640 811418388 /nfs/dbraw/zinc/41/83/88/811418388.db2.gz KNMHSXGREQKOPT-BETUJISGSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001267537640 811418393 /nfs/dbraw/zinc/41/83/93/811418393.db2.gz KNMHSXGREQKOPT-BETUJISGSA-N 1 2 295.383 0.000 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592215 811425611 /nfs/dbraw/zinc/42/56/11/811425611.db2.gz SOWHKXVGUPJZAY-LLVKDONJSA-N 1 2 297.309 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC001098595614 811459861 /nfs/dbraw/zinc/45/98/61/811459861.db2.gz TXZXAISDLGSEHE-CQSZACIVSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCOCC)CC1 ZINC001267574151 811466035 /nfs/dbraw/zinc/46/60/35/811466035.db2.gz WXCJUQKRRVIIJP-UHFFFAOYSA-N 1 2 281.400 0.122 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C(C)(C)F ZINC001267573854 811466266 /nfs/dbraw/zinc/46/62/66/811466266.db2.gz MXZFYRSYKUASFN-UHFFFAOYSA-N 1 2 270.352 0.334 20 30 CCEDLO CO[C@@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001267574732 811469421 /nfs/dbraw/zinc/46/94/21/811469421.db2.gz RCLYXHYTVDQCKQ-CQSZACIVSA-N 1 2 296.415 0.257 20 30 CCEDLO CC[C@@H](F)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267608860 811558382 /nfs/dbraw/zinc/55/83/82/811558382.db2.gz FOOXOPIIIAEDNU-GFCCVEGCSA-N 1 2 270.352 0.334 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267611759 811560796 /nfs/dbraw/zinc/56/07/96/811560796.db2.gz JATXPJSIXFNQEU-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267611759 811560801 /nfs/dbraw/zinc/56/08/01/811560801.db2.gz JATXPJSIXFNQEU-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(C)C)C1 ZINC001267620917 811578019 /nfs/dbraw/zinc/57/80/19/811578019.db2.gz JGUHCVFFTOLGJZ-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(C)C)C1 ZINC001267620917 811578029 /nfs/dbraw/zinc/57/80/29/811578029.db2.gz JGUHCVFFTOLGJZ-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001267645145 811611273 /nfs/dbraw/zinc/61/12/73/811611273.db2.gz MUXCYJQJMFUZAV-TZMCWYRMSA-N 1 2 280.368 0.394 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC001267647621 811614090 /nfs/dbraw/zinc/61/40/90/811614090.db2.gz RZMDMQOALKMJJS-LLVKDONJSA-N 1 2 291.351 0.774 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038340465 811651727 /nfs/dbraw/zinc/65/17/27/811651727.db2.gz HELHXXATFUUPBC-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038340465 811651729 /nfs/dbraw/zinc/65/17/29/811651729.db2.gz HELHXXATFUUPBC-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001267707325 811670921 /nfs/dbraw/zinc/67/09/21/811670921.db2.gz SPCYOTLAEBXAQK-STQMWFEESA-N 1 2 291.351 0.971 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001267707325 811670923 /nfs/dbraw/zinc/67/09/23/811670923.db2.gz SPCYOTLAEBXAQK-STQMWFEESA-N 1 2 291.351 0.971 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001267740598 811722400 /nfs/dbraw/zinc/72/24/00/811722400.db2.gz MFGGSXRYANBVLL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001267740598 811722403 /nfs/dbraw/zinc/72/24/03/811722403.db2.gz MFGGSXRYANBVLL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825619 811734684 /nfs/dbraw/zinc/73/46/84/811734684.db2.gz LHIMYERMCPVLDU-NSHDSACASA-N 1 2 298.350 0.600 20 30 CCEDLO C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571514 815478528 /nfs/dbraw/zinc/47/85/28/815478528.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001083571514 815478535 /nfs/dbraw/zinc/47/85/35/815478535.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001083571514 815478536 /nfs/dbraw/zinc/47/85/36/815478536.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571514 815478538 /nfs/dbraw/zinc/47/85/38/815478538.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083571514 815478540 /nfs/dbraw/zinc/47/85/40/815478540.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 1 2 281.400 0.208 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccn3)C2)nn1 ZINC001105133030 811854101 /nfs/dbraw/zinc/85/41/01/811854101.db2.gz LJRIPBJAIKYYLJ-UHFFFAOYSA-N 1 2 296.334 0.093 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](O)C1 ZINC001083574893 815486377 /nfs/dbraw/zinc/48/63/77/815486377.db2.gz UPTBNIQHBUXPAC-NEPJUHHUSA-N 1 2 261.325 0.040 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](O)C1 ZINC001083574893 815486380 /nfs/dbraw/zinc/48/63/80/815486380.db2.gz UPTBNIQHBUXPAC-NEPJUHHUSA-N 1 2 261.325 0.040 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001268029066 812020058 /nfs/dbraw/zinc/02/00/58/812020058.db2.gz BYGJQZILCYRUDP-TZMCWYRMSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001268029066 812020066 /nfs/dbraw/zinc/02/00/66/812020066.db2.gz BYGJQZILCYRUDP-TZMCWYRMSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038777983 812070029 /nfs/dbraw/zinc/07/00/29/812070029.db2.gz USUBCGWCLOWSLJ-JTQLQIEISA-N 1 2 278.743 0.876 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038777983 812070033 /nfs/dbraw/zinc/07/00/33/812070033.db2.gz USUBCGWCLOWSLJ-JTQLQIEISA-N 1 2 278.743 0.876 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](O)C1 ZINC001083586884 815505740 /nfs/dbraw/zinc/50/57/40/815505740.db2.gz RTDBXIISGYAPTK-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](O)C1 ZINC001083586884 815505742 /nfs/dbraw/zinc/50/57/42/815505742.db2.gz RTDBXIISGYAPTK-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO N#CCNCC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001268168310 812332390 /nfs/dbraw/zinc/33/23/90/812332390.db2.gz VWIBXPQZWHWZGM-GFCCVEGCSA-N 1 2 275.356 0.837 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001268169938 812338993 /nfs/dbraw/zinc/33/89/93/812338993.db2.gz PJDQWGRTRPHBDX-NSHDSACASA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001268169938 812339001 /nfs/dbraw/zinc/33/90/01/812339001.db2.gz PJDQWGRTRPHBDX-NSHDSACASA-N 1 2 253.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001083608787 815537366 /nfs/dbraw/zinc/53/73/66/815537366.db2.gz NRMFWLWOFAAMSO-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001083608787 815537369 /nfs/dbraw/zinc/53/73/69/815537369.db2.gz NRMFWLWOFAAMSO-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](O)C1 ZINC001083609648 815538071 /nfs/dbraw/zinc/53/80/71/815538071.db2.gz HHCBZILMSABJOF-CVEARBPZSA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](O)C1 ZINC001083609648 815538074 /nfs/dbraw/zinc/53/80/74/815538074.db2.gz HHCBZILMSABJOF-CVEARBPZSA-N 1 2 299.374 0.757 20 30 CCEDLO Cc1nc(N(C)CCN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001105371864 812881322 /nfs/dbraw/zinc/88/13/22/812881322.db2.gz IYYMVIQAGQPORD-SNVBAGLBSA-N 1 2 261.329 0.839 20 30 CCEDLO C#CC(=O)N1CC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268851969 813113765 /nfs/dbraw/zinc/11/37/65/813113765.db2.gz YMBBLPRVCYUSRX-NSHDSACASA-N 1 2 294.314 0.755 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1C[NH+](CC(=O)NCCC)C1 ZINC001268858487 813118798 /nfs/dbraw/zinc/11/87/98/813118798.db2.gz MTDBPSWMRGIRLO-UHFFFAOYSA-N 1 2 281.400 0.773 20 30 CCEDLO O=C(CCS)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268959514 813159018 /nfs/dbraw/zinc/15/90/18/813159018.db2.gz DTWMXOIZKDEAKR-UHFFFAOYSA-N 1 2 265.382 0.979 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC=C)C1 ZINC001269171959 813248735 /nfs/dbraw/zinc/24/87/35/813248735.db2.gz FMPHDXYNEPWYON-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC=C)C1 ZINC001269171959 813248740 /nfs/dbraw/zinc/24/87/40/813248740.db2.gz FMPHDXYNEPWYON-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001269204711 813262748 /nfs/dbraw/zinc/26/27/48/813262748.db2.gz DYWZSYLAOBRWMA-YPMHNXCESA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001269204711 813262750 /nfs/dbraw/zinc/26/27/50/813262750.db2.gz DYWZSYLAOBRWMA-YPMHNXCESA-N 1 2 279.384 0.810 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC ZINC001269221616 813274613 /nfs/dbraw/zinc/27/46/13/813274613.db2.gz ACPNXSGEGCTKKW-UONOGXRCSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCC ZINC001269221616 813274617 /nfs/dbraw/zinc/27/46/17/813274617.db2.gz ACPNXSGEGCTKKW-UONOGXRCSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001269247866 813289843 /nfs/dbraw/zinc/28/98/43/813289843.db2.gz KMQNGLMXTBEBBR-BBRMVZONSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001269247866 813289847 /nfs/dbraw/zinc/28/98/47/813289847.db2.gz KMQNGLMXTBEBBR-BBRMVZONSA-N 1 2 291.395 0.363 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001269278138 813304201 /nfs/dbraw/zinc/30/42/01/813304201.db2.gz CLWKLJXQMCKKDA-NWDGAFQWSA-N 1 2 265.357 0.244 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001269278138 813304205 /nfs/dbraw/zinc/30/42/05/813304205.db2.gz CLWKLJXQMCKKDA-NWDGAFQWSA-N 1 2 265.357 0.244 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001269326670 813326501 /nfs/dbraw/zinc/32/65/01/813326501.db2.gz MERZSDNIVUOTPZ-UKRRQHHQSA-N 1 2 280.368 0.253 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001269326670 813326511 /nfs/dbraw/zinc/32/65/11/813326511.db2.gz MERZSDNIVUOTPZ-UKRRQHHQSA-N 1 2 280.368 0.253 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CCCN2C(=O)C[NH+]2CCC2)C1=O ZINC001271011863 814116641 /nfs/dbraw/zinc/11/66/41/814116641.db2.gz NLAYIGJDFUZCEJ-INIZCTEOSA-N 1 2 291.395 0.862 20 30 CCEDLO C[C@H](CNCC#N)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001271148882 814209769 /nfs/dbraw/zinc/20/97/69/814209769.db2.gz WULMVFHSRSHBOW-GFCCVEGCSA-N 1 2 282.388 0.057 20 30 CCEDLO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154078 814221076 /nfs/dbraw/zinc/22/10/76/814221076.db2.gz XVBBHYPNWLNUJA-WCBMZHEXSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154078 814221084 /nfs/dbraw/zinc/22/10/84/814221084.db2.gz XVBBHYPNWLNUJA-WCBMZHEXSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001271154078 814221091 /nfs/dbraw/zinc/22/10/91/814221091.db2.gz XVBBHYPNWLNUJA-WCBMZHEXSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001271154078 814221097 /nfs/dbraw/zinc/22/10/97/814221097.db2.gz XVBBHYPNWLNUJA-WCBMZHEXSA-N 1 2 282.237 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CC2CCC2)C1 ZINC001271270727 814359410 /nfs/dbraw/zinc/35/94/10/814359410.db2.gz ZWCRYWWVIKFXCL-UHFFFAOYSA-N 1 2 252.358 0.916 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001271275807 814362991 /nfs/dbraw/zinc/36/29/91/814362991.db2.gz FVCGAPICQYOHMQ-KBPBESRZSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001127052508 815606670 /nfs/dbraw/zinc/60/66/70/815606670.db2.gz ZAWMFAGEDXFFES-WDEREUQCSA-N 1 2 294.355 0.437 20 30 CCEDLO CS(=O)(=O)N1CC(Nc2cc(C3(C#N)CC3)cc[nH+]2)C1 ZINC001168221137 814913526 /nfs/dbraw/zinc/91/35/26/814913526.db2.gz UJMQTHJIXLIYFM-UHFFFAOYSA-N 1 2 292.364 0.692 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001030349521 815989225 /nfs/dbraw/zinc/98/92/25/815989225.db2.gz MWAVKPOBVRQVDZ-UHFFFAOYSA-N 1 2 286.379 0.586 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncc(C)cc2OC)C1 ZINC001030456105 816046048 /nfs/dbraw/zinc/04/60/48/816046048.db2.gz USSABMRWERABKA-UHFFFAOYSA-N 1 2 273.336 0.836 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544275 816099511 /nfs/dbraw/zinc/09/95/11/816099511.db2.gz HGYAWHZFPSPDSD-NSHDSACASA-N 1 2 260.341 0.432 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030545138 816100970 /nfs/dbraw/zinc/10/09/70/816100970.db2.gz JJJKYDKHTTTWLA-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001088864293 816109784 /nfs/dbraw/zinc/10/97/84/816109784.db2.gz CBWWQLYXZLNWFT-ZNSHCXBVSA-N 1 2 285.775 0.439 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001088864293 816109785 /nfs/dbraw/zinc/10/97/85/816109785.db2.gz CBWWQLYXZLNWFT-ZNSHCXBVSA-N 1 2 285.775 0.439 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001030635682 816172147 /nfs/dbraw/zinc/17/21/47/816172147.db2.gz CGYDINISSAZMRY-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO COc1ccnc(C(=N)Nc2ccn3cc(N)[nH+]c3c2)n1 ZINC001168422365 816194157 /nfs/dbraw/zinc/19/41/57/816194157.db2.gz MBRUXLUAPATTDL-UHFFFAOYSA-N 1 2 283.295 0.752 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001030701419 816235106 /nfs/dbraw/zinc/23/51/06/816235106.db2.gz PJEQGFDBIXOFLC-ABAIWWIYSA-N 1 2 286.379 0.899 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(CC)nn2C)C1 ZINC001030713919 816245340 /nfs/dbraw/zinc/24/53/40/816245340.db2.gz QHAVGUVXCKIHDE-UHFFFAOYSA-N 1 2 276.384 0.902 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC001083679618 816256388 /nfs/dbraw/zinc/25/63/88/816256388.db2.gz MLHCXTUHWPBSLJ-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC001083679618 816256396 /nfs/dbraw/zinc/25/63/96/816256396.db2.gz MLHCXTUHWPBSLJ-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001030745222 816260433 /nfs/dbraw/zinc/26/04/33/816260433.db2.gz XZVHMVPGFPVUSE-NSHDSACASA-N 1 2 265.357 0.279 20 30 CCEDLO CC[C@@H](OC)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046010958 816281560 /nfs/dbraw/zinc/28/15/60/816281560.db2.gz XONFYTZWTPMVCB-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001031139202 816690654 /nfs/dbraw/zinc/69/06/54/816690654.db2.gz QEFZFRSWCLSPCD-UHFFFAOYSA-N 1 2 292.339 0.115 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001031220428 816836407 /nfs/dbraw/zinc/83/64/07/816836407.db2.gz WPSFRHBIXPOMQN-TZMCWYRMSA-N 1 2 250.342 0.790 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001031246786 816881889 /nfs/dbraw/zinc/88/18/89/816881889.db2.gz SEJPIRRZQHIKRI-UHFFFAOYSA-N 1 2 274.368 0.899 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCF)C2)cn1 ZINC001031278539 816923672 /nfs/dbraw/zinc/92/36/72/816923672.db2.gz QEKXDJRIXIGQNX-UHFFFAOYSA-N 1 2 261.300 0.837 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001031279283 816924160 /nfs/dbraw/zinc/92/41/60/816924160.db2.gz WBPVECSQQWLLLS-UHFFFAOYSA-N 1 2 297.314 0.008 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001031376471 817011716 /nfs/dbraw/zinc/01/17/16/817011716.db2.gz RSODNDQOISUPMD-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001031442106 817058458 /nfs/dbraw/zinc/05/84/58/817058458.db2.gz WXKXSFNUZADOCE-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCNCC#N ZINC001127547650 817236695 /nfs/dbraw/zinc/23/66/95/817236695.db2.gz QCXAZCABUNYWLW-CHWSQXEVSA-N 1 2 287.367 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212277327 817319887 /nfs/dbraw/zinc/31/98/87/817319887.db2.gz LYKHRFGBAZQHFE-NXEZZACHSA-N 1 2 272.295 0.480 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212277327 817319892 /nfs/dbraw/zinc/31/98/92/817319892.db2.gz LYKHRFGBAZQHFE-NXEZZACHSA-N 1 2 272.295 0.480 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782836 817362942 /nfs/dbraw/zinc/36/29/42/817362942.db2.gz NDWQFXHFNNWMMK-LBPRGKRZSA-N 1 2 273.340 0.017 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](O)C1 ZINC001083777437 817537751 /nfs/dbraw/zinc/53/77/51/817537751.db2.gz VXQYIJSVDVJDSB-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](O)C1 ZINC001083777437 817537759 /nfs/dbraw/zinc/53/77/59/817537759.db2.gz VXQYIJSVDVJDSB-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001124768152 817569931 /nfs/dbraw/zinc/56/99/31/817569931.db2.gz VBGWENAZXWWITD-SECBINFHSA-N 1 2 268.317 0.347 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868513 817573921 /nfs/dbraw/zinc/57/39/21/817573921.db2.gz CTDRAHGIVTXEHG-XZDPQHSOSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868513 817573927 /nfs/dbraw/zinc/57/39/27/817573927.db2.gz CTDRAHGIVTXEHG-XZDPQHSOSA-N 1 2 298.390 0.754 20 30 CCEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnon1 ZINC001032063461 817594743 /nfs/dbraw/zinc/59/47/43/817594743.db2.gz BILGKYZFJAPEOU-UHFFFAOYSA-N 1 2 296.330 0.783 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001077579555 817608667 /nfs/dbraw/zinc/60/86/67/817608667.db2.gz GBLNOMJBKNPMGP-ZIAGYGMSSA-N 1 2 288.347 0.955 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001077579555 817608676 /nfs/dbraw/zinc/60/86/76/817608676.db2.gz GBLNOMJBKNPMGP-ZIAGYGMSSA-N 1 2 288.347 0.955 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001124888429 817615853 /nfs/dbraw/zinc/61/58/53/817615853.db2.gz JZAYNALMHZXSTL-MRVPVSSYSA-N 1 2 263.301 0.312 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001124890533 817618952 /nfs/dbraw/zinc/61/89/52/817618952.db2.gz YUSVYTVFNKLQJD-SECBINFHSA-N 1 2 289.295 0.695 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(F)F)nn2)C1 ZINC001107117981 817768619 /nfs/dbraw/zinc/76/86/19/817768619.db2.gz GBNFPZIGVXODED-UHFFFAOYSA-N 1 2 285.298 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n[nH]1 ZINC001032290867 817787842 /nfs/dbraw/zinc/78/78/42/817787842.db2.gz WSHXJJVMKTUSFM-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n[nH]1 ZINC001032290867 817787847 /nfs/dbraw/zinc/78/78/47/817787847.db2.gz WSHXJJVMKTUSFM-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C)n1 ZINC001032312760 817841471 /nfs/dbraw/zinc/84/14/71/817841471.db2.gz YESFYMQWXHHGNT-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C)n1 ZINC001032312760 817841480 /nfs/dbraw/zinc/84/14/80/817841480.db2.gz YESFYMQWXHHGNT-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032312620 817843491 /nfs/dbraw/zinc/84/34/91/817843491.db2.gz RZJUFWBBFSUHLK-AGIUHOORSA-N 1 2 290.367 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032312620 817843503 /nfs/dbraw/zinc/84/35/03/817843503.db2.gz RZJUFWBBFSUHLK-AGIUHOORSA-N 1 2 290.367 0.054 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719160 817965194 /nfs/dbraw/zinc/96/51/94/817965194.db2.gz XVRYDJAZZGKCFW-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719160 817965198 /nfs/dbraw/zinc/96/51/98/817965198.db2.gz XVRYDJAZZGKCFW-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734264 817973032 /nfs/dbraw/zinc/97/30/32/817973032.db2.gz ZRWUMEQMUWCGJD-OAHLLOKOSA-N 1 2 275.352 0.859 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734264 817973039 /nfs/dbraw/zinc/97/30/39/817973039.db2.gz ZRWUMEQMUWCGJD-OAHLLOKOSA-N 1 2 275.352 0.859 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107781908 818000450 /nfs/dbraw/zinc/00/04/50/818000450.db2.gz LCTWHAJJBLBWMN-OCCSQVGLSA-N 1 2 268.357 0.252 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107781908 818000461 /nfs/dbraw/zinc/00/04/61/818000461.db2.gz LCTWHAJJBLBWMN-OCCSQVGLSA-N 1 2 268.357 0.252 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107818706 818031739 /nfs/dbraw/zinc/03/17/39/818031739.db2.gz DRXGEIYMJRTWLA-WCQYABFASA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107818706 818031743 /nfs/dbraw/zinc/03/17/43/818031743.db2.gz DRXGEIYMJRTWLA-WCQYABFASA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107797895 818015230 /nfs/dbraw/zinc/01/52/30/818015230.db2.gz ILGMOIZWHBTAKE-JSGCOSHPSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107797895 818015236 /nfs/dbraw/zinc/01/52/36/818015236.db2.gz ILGMOIZWHBTAKE-JSGCOSHPSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799391 818015959 /nfs/dbraw/zinc/01/59/59/818015959.db2.gz DQEZSRJLEAXHMM-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799391 818015967 /nfs/dbraw/zinc/01/59/67/818015967.db2.gz DQEZSRJLEAXHMM-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO C[C@H](CNc1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001107811255 818025136 /nfs/dbraw/zinc/02/51/36/818025136.db2.gz RQSBNCBVCMXEDV-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H](O)C1 ZINC001083813385 818132437 /nfs/dbraw/zinc/13/24/37/818132437.db2.gz GYYWTIDMGRQLQR-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H](O)C1 ZINC001083813385 818132440 /nfs/dbraw/zinc/13/24/40/818132440.db2.gz GYYWTIDMGRQLQR-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001083813971 818157132 /nfs/dbraw/zinc/15/71/32/818157132.db2.gz HFJWACHWRFMANC-CABCVRRESA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001083813971 818157136 /nfs/dbraw/zinc/15/71/36/818157136.db2.gz HFJWACHWRFMANC-CABCVRRESA-N 1 2 288.347 0.493 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnnc2C)C1 ZINC001108051705 818159261 /nfs/dbraw/zinc/15/92/61/818159261.db2.gz NAQHHAFVGUYNFY-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnnc2C)C1 ZINC001108051705 818159264 /nfs/dbraw/zinc/15/92/64/818159264.db2.gz NAQHHAFVGUYNFY-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001117288372 818242782 /nfs/dbraw/zinc/24/27/82/818242782.db2.gz LKDNGDCBGWRMFG-MJBXVCDLSA-N 1 2 297.399 0.692 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001044333940 818387373 /nfs/dbraw/zinc/38/73/73/818387373.db2.gz ZGFCHNROJNBVMM-ZDUSSCGKSA-N 1 2 291.395 0.553 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024523 818435114 /nfs/dbraw/zinc/43/51/14/818435114.db2.gz XWYIQZYUBQQUCQ-SNVBAGLBSA-N 1 2 299.762 0.269 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024523 818435119 /nfs/dbraw/zinc/43/51/19/818435119.db2.gz XWYIQZYUBQQUCQ-SNVBAGLBSA-N 1 2 299.762 0.269 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033037577 818448914 /nfs/dbraw/zinc/44/89/14/818448914.db2.gz ZUNVNOTUKJZFKF-LBPRGKRZSA-N 1 2 273.336 0.957 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090071200 818455595 /nfs/dbraw/zinc/45/55/95/818455595.db2.gz ZEUPGBGTRICVAW-PWSUYJOCSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090071200 818455598 /nfs/dbraw/zinc/45/55/98/818455598.db2.gz ZEUPGBGTRICVAW-PWSUYJOCSA-N 1 2 283.759 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3(C)C)[C@@H](O)C1 ZINC001083842935 818572898 /nfs/dbraw/zinc/57/28/98/818572898.db2.gz KSXNHGJKSMZSGW-DLOXAQCQSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3(C)C)[C@@H](O)C1 ZINC001083842935 818572906 /nfs/dbraw/zinc/57/29/06/818572906.db2.gz KSXNHGJKSMZSGW-DLOXAQCQSA-N 1 2 290.407 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033335602 818721151 /nfs/dbraw/zinc/72/11/51/818721151.db2.gz BMVVKOTVHDACAO-RYUDHWBXSA-N 1 2 299.802 0.892 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033335602 818721145 /nfs/dbraw/zinc/72/11/45/818721145.db2.gz BMVVKOTVHDACAO-RYUDHWBXSA-N 1 2 299.802 0.892 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001128677285 818802434 /nfs/dbraw/zinc/80/24/34/818802434.db2.gz FZDPKSPIBQVQHI-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001128677285 818802440 /nfs/dbraw/zinc/80/24/40/818802440.db2.gz FZDPKSPIBQVQHI-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(CC#N)C1 ZINC001033593042 818844412 /nfs/dbraw/zinc/84/44/12/818844412.db2.gz FLLXTKIAJFWXAO-NSHDSACASA-N 1 2 261.329 0.019 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCCC)[C@@H](n2ccnn2)C1 ZINC001128705256 818862268 /nfs/dbraw/zinc/86/22/68/818862268.db2.gz HZDDJISZXYKHAM-KGLIPLIRSA-N 1 2 289.383 0.833 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCC)[C@@H](n2ccnn2)C1 ZINC001128705256 818862276 /nfs/dbraw/zinc/86/22/76/818862276.db2.gz HZDDJISZXYKHAM-KGLIPLIRSA-N 1 2 289.383 0.833 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@@H](n2ccnn2)C1 ZINC001128746925 818946057 /nfs/dbraw/zinc/94/60/57/818946057.db2.gz OTPOURVKBFKTPZ-TUAOUCFPSA-N 1 2 295.412 0.557 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@@H](n2ccnn2)C1 ZINC001128746925 818946060 /nfs/dbraw/zinc/94/60/60/818946060.db2.gz OTPOURVKBFKTPZ-TUAOUCFPSA-N 1 2 295.412 0.557 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128774758 818981653 /nfs/dbraw/zinc/98/16/53/818981653.db2.gz DVRJMCMNMANIOM-NZETUCKYSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128774758 818981656 /nfs/dbraw/zinc/98/16/56/818981656.db2.gz DVRJMCMNMANIOM-NZETUCKYSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001128851558 819089663 /nfs/dbraw/zinc/08/96/63/819089663.db2.gz RTXFQGOOIKHTMQ-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001128851558 819089666 /nfs/dbraw/zinc/08/96/66/819089666.db2.gz RTXFQGOOIKHTMQ-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC001034886845 819355613 /nfs/dbraw/zinc/35/56/13/819355613.db2.gz PBRLHFPCUHXHRJ-GXSJLCMTSA-N 1 2 277.328 0.618 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001035285175 819450084 /nfs/dbraw/zinc/45/00/84/819450084.db2.gz YGNQQEPSHQSNKU-LLVKDONJSA-N 1 2 296.396 0.853 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001035285175 819450088 /nfs/dbraw/zinc/45/00/88/819450088.db2.gz YGNQQEPSHQSNKU-LLVKDONJSA-N 1 2 296.396 0.853 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035306034 819457189 /nfs/dbraw/zinc/45/71/89/819457189.db2.gz OJOYKNAZXPZSQM-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035306034 819457190 /nfs/dbraw/zinc/45/71/90/819457190.db2.gz OJOYKNAZXPZSQM-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330780 819475887 /nfs/dbraw/zinc/47/58/87/819475887.db2.gz CDHZSACYYQOAHV-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330780 819475894 /nfs/dbraw/zinc/47/58/94/819475894.db2.gz CDHZSACYYQOAHV-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001035403312 819508201 /nfs/dbraw/zinc/50/82/01/819508201.db2.gz BNZZMBKTPUUJFL-MJBXVCDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001035403312 819508207 /nfs/dbraw/zinc/50/82/07/819508207.db2.gz BNZZMBKTPUUJFL-MJBXVCDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsn2)C1 ZINC001035411336 819516930 /nfs/dbraw/zinc/51/69/30/819516930.db2.gz KXYIUFAQWABXMY-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccsn2)C1 ZINC001035411336 819516936 /nfs/dbraw/zinc/51/69/36/819516936.db2.gz KXYIUFAQWABXMY-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001035453409 819520438 /nfs/dbraw/zinc/52/04/38/819520438.db2.gz XAPYLSUXPLXGHD-ZQDZILKHSA-N 1 2 294.395 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001035453409 819520446 /nfs/dbraw/zinc/52/04/46/819520446.db2.gz XAPYLSUXPLXGHD-ZQDZILKHSA-N 1 2 294.395 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001035475542 819531464 /nfs/dbraw/zinc/53/14/64/819531464.db2.gz PYCLTTJAVIZNKD-MQYQWHSLSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001035475542 819531469 /nfs/dbraw/zinc/53/14/69/819531469.db2.gz PYCLTTJAVIZNKD-MQYQWHSLSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035480107 819533307 /nfs/dbraw/zinc/53/33/07/819533307.db2.gz TVSKFYWABGFQSN-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035480107 819533312 /nfs/dbraw/zinc/53/33/12/819533312.db2.gz TVSKFYWABGFQSN-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035561546 819569549 /nfs/dbraw/zinc/56/95/49/819569549.db2.gz ATZVANUNDLAYSC-LBPRGKRZSA-N 1 2 292.335 0.742 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035561546 819569557 /nfs/dbraw/zinc/56/95/57/819569557.db2.gz ATZVANUNDLAYSC-LBPRGKRZSA-N 1 2 292.335 0.742 20 30 CCEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001035671968 819608794 /nfs/dbraw/zinc/60/87/94/819608794.db2.gz AHFYYFSROZMNEB-UHFFFAOYSA-N 1 2 285.775 0.539 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C)[C@@H](O)C1 ZINC001083923434 820275525 /nfs/dbraw/zinc/27/55/25/820275525.db2.gz BOHUYGWWNKPFLD-ZBFHGGJFSA-N 1 2 299.374 0.087 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C)[C@@H](O)C1 ZINC001083923434 820275533 /nfs/dbraw/zinc/27/55/33/820275533.db2.gz BOHUYGWWNKPFLD-ZBFHGGJFSA-N 1 2 299.374 0.087 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001080183090 820523159 /nfs/dbraw/zinc/52/31/59/820523159.db2.gz IJZOOXKAZKKHRG-UDZFHETQSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001080183090 820523165 /nfs/dbraw/zinc/52/31/65/820523165.db2.gz IJZOOXKAZKKHRG-UDZFHETQSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324876 820548870 /nfs/dbraw/zinc/54/88/70/820548870.db2.gz HSZKSLIDPPZQND-KFWWJZLASA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324876 820548877 /nfs/dbraw/zinc/54/88/77/820548877.db2.gz HSZKSLIDPPZQND-KFWWJZLASA-N 1 2 293.411 0.165 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(C)=O ZINC001081236061 820721386 /nfs/dbraw/zinc/72/13/86/820721386.db2.gz RBXYKRBZYGADAO-HUUCEWRRSA-N 1 2 273.336 0.894 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(C)=O ZINC001081236061 820721391 /nfs/dbraw/zinc/72/13/91/820721391.db2.gz RBXYKRBZYGADAO-HUUCEWRRSA-N 1 2 273.336 0.894 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001081345579 820743396 /nfs/dbraw/zinc/74/33/96/820743396.db2.gz QCXFXHBQBJUGNM-ZIAGYGMSSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001081345579 820743400 /nfs/dbraw/zinc/74/34/00/820743400.db2.gz QCXFXHBQBJUGNM-ZIAGYGMSSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@H](OC)C1 ZINC001081899387 820857773 /nfs/dbraw/zinc/85/77/73/820857773.db2.gz PGRXIEAHZSFANK-IUODEOHRSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@H](OC)C1 ZINC001081899387 820857786 /nfs/dbraw/zinc/85/77/86/820857786.db2.gz PGRXIEAHZSFANK-IUODEOHRSA-N 1 2 299.330 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@H](OC)C1 ZINC001081856094 820858066 /nfs/dbraw/zinc/85/80/66/820858066.db2.gz XZKATGMAGAIFNT-VXGBXAGGSA-N 1 2 295.289 0.422 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@H](OC)C1 ZINC001081856094 820858077 /nfs/dbraw/zinc/85/80/77/820858077.db2.gz XZKATGMAGAIFNT-VXGBXAGGSA-N 1 2 295.289 0.422 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@H](OC)C1 ZINC001081892075 820864582 /nfs/dbraw/zinc/86/45/82/820864582.db2.gz LAPPGCJEGIHZFK-TZMCWYRMSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@H](OC)C1 ZINC001081892075 820864584 /nfs/dbraw/zinc/86/45/84/820864584.db2.gz LAPPGCJEGIHZFK-TZMCWYRMSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@H](OC)C1 ZINC001082070551 820893165 /nfs/dbraw/zinc/89/31/65/820893165.db2.gz JGZPIHLWGLIRRS-RRFJBIMHSA-N 1 2 299.374 0.560 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@H](OC)C1 ZINC001082070551 820893174 /nfs/dbraw/zinc/89/31/74/820893174.db2.gz JGZPIHLWGLIRRS-RRFJBIMHSA-N 1 2 299.374 0.560 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2COC)[C@H](OC)C1 ZINC001082322459 820935769 /nfs/dbraw/zinc/93/57/69/820935769.db2.gz VTSRUEXVABEOIC-DGCLKSJQSA-N 1 2 295.339 0.436 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2COC)[C@H](OC)C1 ZINC001082322459 820935781 /nfs/dbraw/zinc/93/57/81/820935781.db2.gz VTSRUEXVABEOIC-DGCLKSJQSA-N 1 2 295.339 0.436 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1 ZINC001082451209 820972395 /nfs/dbraw/zinc/97/23/95/820972395.db2.gz SYBJBNGFYUJPGL-HBNTYKKESA-N 1 2 291.355 0.728 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)no3)[C@H]2C1 ZINC001082998271 821094968 /nfs/dbraw/zinc/09/49/68/821094968.db2.gz GVKXNBLRYAXSGH-WCQYABFASA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)no3)[C@H]2C1 ZINC001082998271 821094977 /nfs/dbraw/zinc/09/49/77/821094977.db2.gz GVKXNBLRYAXSGH-WCQYABFASA-N 1 2 277.324 0.694 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncc3C)[C@H]2C1 ZINC001083075090 821120796 /nfs/dbraw/zinc/12/07/96/821120796.db2.gz DNKGGPOMQKEXJV-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncc3C)[C@H]2C1 ZINC001083075090 821120803 /nfs/dbraw/zinc/12/08/03/821120803.db2.gz DNKGGPOMQKEXJV-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)C3CC3)[C@H]2C1 ZINC001083068234 821134848 /nfs/dbraw/zinc/13/48/48/821134848.db2.gz XMVNKZQQVSZBOJ-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)C3CC3)[C@H]2C1 ZINC001083068234 821134854 /nfs/dbraw/zinc/13/48/54/821134854.db2.gz XMVNKZQQVSZBOJ-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](O)C1 ZINC001084067890 821193480 /nfs/dbraw/zinc/19/34/80/821193480.db2.gz DFSKHTLXMIKTGH-ZBFHGGJFSA-N 1 2 297.358 0.436 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](O)C1 ZINC001084067890 821193488 /nfs/dbraw/zinc/19/34/88/821193488.db2.gz DFSKHTLXMIKTGH-ZBFHGGJFSA-N 1 2 297.358 0.436 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](O)C1 ZINC001084083772 821195336 /nfs/dbraw/zinc/19/53/36/821195336.db2.gz ZHKWYUWSTRTVIO-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](O)C1 ZINC001084083772 821195342 /nfs/dbraw/zinc/19/53/42/821195342.db2.gz ZHKWYUWSTRTVIO-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](O)C1 ZINC001084129660 821204035 /nfs/dbraw/zinc/20/40/35/821204035.db2.gz WCMMDPLDRCVTCI-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](O)C1 ZINC001084129660 821204044 /nfs/dbraw/zinc/20/40/44/821204044.db2.gz WCMMDPLDRCVTCI-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)ncn1 ZINC001084236842 821248776 /nfs/dbraw/zinc/24/87/76/821248776.db2.gz RTRJNRFNNBVDTH-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)ncn1 ZINC001084236842 821248784 /nfs/dbraw/zinc/24/87/84/821248784.db2.gz RTRJNRFNNBVDTH-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334122 821274396 /nfs/dbraw/zinc/27/43/96/821274396.db2.gz PPUBTGROILFXNT-ZIAGYGMSSA-N 1 2 289.379 0.021 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334122 821274405 /nfs/dbraw/zinc/27/44/05/821274405.db2.gz PPUBTGROILFXNT-ZIAGYGMSSA-N 1 2 289.379 0.021 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001084645853 821334694 /nfs/dbraw/zinc/33/46/94/821334694.db2.gz HHYGVDWMPLBKQG-YNEHKIRRSA-N 1 2 291.395 0.749 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001084645853 821334700 /nfs/dbraw/zinc/33/47/00/821334700.db2.gz HHYGVDWMPLBKQG-YNEHKIRRSA-N 1 2 291.395 0.749 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001099821957 821369276 /nfs/dbraw/zinc/36/92/76/821369276.db2.gz YTFADBATLQSOSO-STQMWFEESA-N 1 2 284.787 0.950 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001099821957 821369284 /nfs/dbraw/zinc/36/92/84/821369284.db2.gz YTFADBATLQSOSO-STQMWFEESA-N 1 2 284.787 0.950 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000820346150 821441140 /nfs/dbraw/zinc/44/11/40/821441140.db2.gz XDBYKAOQHXNIPY-GFCCVEGCSA-N 1 2 273.336 0.432 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000820375105 821441406 /nfs/dbraw/zinc/44/14/06/821441406.db2.gz DTKVRWJDYVBMMG-AWEZNQCLSA-N 1 2 288.347 0.447 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000820375105 821441407 /nfs/dbraw/zinc/44/14/07/821441407.db2.gz DTKVRWJDYVBMMG-AWEZNQCLSA-N 1 2 288.347 0.447 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085632104 821863326 /nfs/dbraw/zinc/86/33/26/821863326.db2.gz LNYQWBTWKMKMLG-ZDUSSCGKSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085632104 821863328 /nfs/dbraw/zinc/86/33/28/821863328.db2.gz LNYQWBTWKMKMLG-ZDUSSCGKSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)nnn2C ZINC001085671167 821891661 /nfs/dbraw/zinc/89/16/61/821891661.db2.gz PWVBPAVRYCWZIQ-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)nnn2C ZINC001085671167 821891667 /nfs/dbraw/zinc/89/16/67/821891667.db2.gz PWVBPAVRYCWZIQ-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1OCCC2 ZINC001085697332 821904880 /nfs/dbraw/zinc/90/48/80/821904880.db2.gz IZRVKUMWTSMZEF-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1OCCC2 ZINC001085697332 821904888 /nfs/dbraw/zinc/90/48/88/821904888.db2.gz IZRVKUMWTSMZEF-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712584 821915140 /nfs/dbraw/zinc/91/51/40/821915140.db2.gz OKNOSKQYHFKWDC-SNVBAGLBSA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712584 821915143 /nfs/dbraw/zinc/91/51/43/821915143.db2.gz OKNOSKQYHFKWDC-SNVBAGLBSA-N 1 2 275.308 0.158 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085815378 821964083 /nfs/dbraw/zinc/96/40/83/821964083.db2.gz TZDIHXMHECWSOV-GFCCVEGCSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085815378 821964088 /nfs/dbraw/zinc/96/40/88/821964088.db2.gz TZDIHXMHECWSOV-GFCCVEGCSA-N 1 2 289.335 0.548 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cc(C)cnc12 ZINC001085850454 821981543 /nfs/dbraw/zinc/98/15/43/821981543.db2.gz XHASWTVNXDHQQC-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cc(C)cnc12 ZINC001085850454 821981548 /nfs/dbraw/zinc/98/15/48/821981548.db2.gz XHASWTVNXDHQQC-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(CC)n2)C1 ZINC001108259060 822180521 /nfs/dbraw/zinc/18/05/21/822180521.db2.gz XUTFPHLUZWKMKM-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(CC)n2)C1 ZINC001108259060 822180525 /nfs/dbraw/zinc/18/05/25/822180525.db2.gz XUTFPHLUZWKMKM-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001086373348 822228347 /nfs/dbraw/zinc/22/83/47/822228347.db2.gz UUAVLGOVPSUWOT-XYPYZODXSA-N 1 2 283.335 0.689 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001108292420 822326936 /nfs/dbraw/zinc/32/69/36/822326936.db2.gz ROYLTFOKKCJSPM-IUCAKERBSA-N 1 2 287.327 0.440 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090482341 837704523 /nfs/dbraw/zinc/70/45/23/837704523.db2.gz MAJYXWHEURYKPQ-NXEZZACHSA-N 1 2 299.762 0.031 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090482341 837704533 /nfs/dbraw/zinc/70/45/33/837704533.db2.gz MAJYXWHEURYKPQ-NXEZZACHSA-N 1 2 299.762 0.031 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2CC[C@H](CC)C2=O)CC1 ZINC001183668973 844061857 /nfs/dbraw/zinc/06/18/57/844061857.db2.gz FDPZNQSPZSCPQN-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)n2)C1 ZINC001108397102 836012385 /nfs/dbraw/zinc/01/23/85/836012385.db2.gz NZBUDDUOVOKBKE-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)n2)C1 ZINC001108397102 836012397 /nfs/dbraw/zinc/01/23/97/836012397.db2.gz NZBUDDUOVOKBKE-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC(N)=O)C1 ZINC001108437480 836115437 /nfs/dbraw/zinc/11/54/37/836115437.db2.gz MDSTVBYWMAWJDD-AWEZNQCLSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC(N)=O)C1 ZINC001108437480 836115440 /nfs/dbraw/zinc/11/54/40/836115440.db2.gz MDSTVBYWMAWJDD-AWEZNQCLSA-N 1 2 283.372 0.035 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc3[nH]cc(C#N)c3c2)C[NH2+]1 ZINC001169132420 836148847 /nfs/dbraw/zinc/14/88/47/836148847.db2.gz LWVBPSLYUGULOB-PWSUYJOCSA-N 1 2 285.307 0.750 20 30 CCEDLO CCOC(=O)Cc1cccnc1N1CC[NH2+]C[C@@H]1C#N ZINC001156321060 836283630 /nfs/dbraw/zinc/28/36/30/836283630.db2.gz NYBRULONSNHLJM-LBPRGKRZSA-N 1 2 274.324 0.489 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)CC)CC2=O)C1 ZINC001108505937 836347895 /nfs/dbraw/zinc/34/78/95/836347895.db2.gz HRPJUMOTGWJMLG-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC3CC3)CC2=O)C1 ZINC001108523508 836417592 /nfs/dbraw/zinc/41/75/92/836417592.db2.gz KWGIOYNCXKINJE-ZDUSSCGKSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCC(=C)C)CC2=O)C1 ZINC001108548634 836436713 /nfs/dbraw/zinc/43/67/13/836436713.db2.gz SDZDLGITFNFFRT-CYBMUJFWSA-N 1 2 291.395 0.930 20 30 CCEDLO COC(=O)n1ncc(C#N)c1Nc1cc[nH+]c(CC#N)c1 ZINC001169969179 836486036 /nfs/dbraw/zinc/48/60/36/836486036.db2.gz YLPKRGOZQUOBHW-UHFFFAOYSA-N 1 2 282.263 0.996 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718723 836514626 /nfs/dbraw/zinc/51/46/26/836514626.db2.gz QSKSOAQEVQFDSP-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014739 836599373 /nfs/dbraw/zinc/59/93/73/836599373.db2.gz MKFWESUCPLGVBY-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056323 836607031 /nfs/dbraw/zinc/60/70/31/836607031.db2.gz ACBXMWSFTBBXNJ-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255923 836647227 /nfs/dbraw/zinc/64/72/27/836647227.db2.gz YVUVSZCKVRREFW-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109311445 836654489 /nfs/dbraw/zinc/65/44/89/836654489.db2.gz RIYKLZJVABIKRP-AGIUHOORSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109311445 836654497 /nfs/dbraw/zinc/65/44/97/836654497.db2.gz RIYKLZJVABIKRP-AGIUHOORSA-N 1 2 289.379 0.257 20 30 CCEDLO C=CCOCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112706366 836876017 /nfs/dbraw/zinc/87/60/17/836876017.db2.gz RGWUOCAZTSMZLQ-UHFFFAOYSA-N 1 2 278.356 0.267 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2cscn2)CC1 ZINC001113500814 837141063 /nfs/dbraw/zinc/14/10/63/837141063.db2.gz LMQZWSUYVHQMMR-UHFFFAOYSA-N 1 2 294.380 0.203 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOCCCOC)CC1 ZINC001113514661 837142240 /nfs/dbraw/zinc/14/22/40/837142240.db2.gz VBBZYIKTYPBLID-UHFFFAOYSA-N 1 2 282.384 0.597 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCN(C)C(C)=O)CC1 ZINC001113589933 837172605 /nfs/dbraw/zinc/17/26/05/837172605.db2.gz MGUOWNQHHKJNBI-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001113631749 837184981 /nfs/dbraw/zinc/18/49/81/837184981.db2.gz JSWAZRAXALNUJN-UHFFFAOYSA-N 1 2 278.356 0.381 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)cn1 ZINC001113696242 837198546 /nfs/dbraw/zinc/19/85/46/837198546.db2.gz VDLFNTBCYWVVJO-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001113734720 837210223 /nfs/dbraw/zinc/21/02/23/837210223.db2.gz XVFICHGKLYWPAC-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 ZINC001113736654 837210369 /nfs/dbraw/zinc/21/03/69/837210369.db2.gz NXLKGPUENPNQMY-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)C(CC)CC)CC1 ZINC001113754479 837222778 /nfs/dbraw/zinc/22/27/78/837222778.db2.gz CIPLRWDNPGHTQV-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CN1CCN(c2cc(NCC(C)(C)S)[nH+]cn2)CC1=O ZINC001170305338 837288417 /nfs/dbraw/zinc/28/84/17/837288417.db2.gz WWMJGSYLTYUNLW-UHFFFAOYSA-N 1 2 295.412 0.875 20 30 CCEDLO CN1CCN(c2cc(NCC(C)(C)S)nc[nH+]2)CC1=O ZINC001170305338 837288418 /nfs/dbraw/zinc/28/84/18/837288418.db2.gz WWMJGSYLTYUNLW-UHFFFAOYSA-N 1 2 295.412 0.875 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001133371897 838613640 /nfs/dbraw/zinc/61/36/40/838613640.db2.gz XYMOURDWDVHOIG-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2csnn2)c1 ZINC001133592965 838677164 /nfs/dbraw/zinc/67/71/64/838677164.db2.gz HQQKUQXMVZPLOF-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC001133597408 838678305 /nfs/dbraw/zinc/67/83/05/838678305.db2.gz RCCTUXNEUCJJDG-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514720 838792953 /nfs/dbraw/zinc/79/29/53/838792953.db2.gz OYQLGEWKGVEXAJ-NWDGAFQWSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514720 838792973 /nfs/dbraw/zinc/79/29/73/838792973.db2.gz OYQLGEWKGVEXAJ-NWDGAFQWSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001134054928 838838804 /nfs/dbraw/zinc/83/88/04/838838804.db2.gz VTRXSMVFTJBHDU-JLLWLGSASA-N 1 2 294.355 0.736 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001134412034 838971623 /nfs/dbraw/zinc/97/16/23/838971623.db2.gz RBMDNBMEZLAZMK-UHFFFAOYSA-N 1 2 252.318 0.878 20 30 CCEDLO Cc1cccn2cc(CC(=O)NCCNCC#N)[nH+]c12 ZINC001135300910 839201353 /nfs/dbraw/zinc/20/13/53/839201353.db2.gz AFZCLGKBVKTSMP-UHFFFAOYSA-N 1 2 271.324 0.415 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 ZINC001185571651 844432729 /nfs/dbraw/zinc/43/27/29/844432729.db2.gz FFLOTHGCGSSYRP-DGCLKSJQSA-N 1 2 289.383 0.858 20 30 CCEDLO N#CCNCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170988081 839666402 /nfs/dbraw/zinc/66/64/02/839666402.db2.gz RLJBBSKCRFMFPP-UHFFFAOYSA-N 1 2 284.323 0.500 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C2(C(=O)CC)CC2)CC1 ZINC001136863229 839787331 /nfs/dbraw/zinc/78/73/31/839787331.db2.gz UQTVLOFGKFGIMF-UHFFFAOYSA-N 1 2 262.353 0.913 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C2(C(=O)CC)CC2)CC1 ZINC001136863229 839787337 /nfs/dbraw/zinc/78/73/37/839787337.db2.gz UQTVLOFGKFGIMF-UHFFFAOYSA-N 1 2 262.353 0.913 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCS ZINC001143989759 839911663 /nfs/dbraw/zinc/91/16/63/839911663.db2.gz FCBUOSQHAXCJAI-VIFPVBQESA-N 1 2 271.342 0.320 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCS ZINC001143989759 839911675 /nfs/dbraw/zinc/91/16/75/839911675.db2.gz FCBUOSQHAXCJAI-VIFPVBQESA-N 1 2 271.342 0.320 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147688980 840657432 /nfs/dbraw/zinc/65/74/32/840657432.db2.gz VRKQDQSDKDYJNR-VIFPVBQESA-N 1 2 283.763 0.368 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147688980 840657438 /nfs/dbraw/zinc/65/74/38/840657438.db2.gz VRKQDQSDKDYJNR-VIFPVBQESA-N 1 2 283.763 0.368 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)nc1 ZINC001148376117 840796339 /nfs/dbraw/zinc/79/63/39/840796339.db2.gz BBHKTCQQSXQQNP-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2cnsn2)cn1 ZINC001148383025 840798360 /nfs/dbraw/zinc/79/83/60/840798360.db2.gz OKEMYUFJHBJOGL-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccn2cc(N)[nH+]c2c1 ZINC001171365046 840958597 /nfs/dbraw/zinc/95/85/97/840958597.db2.gz HQLYSSGCYKBAMU-CPCISQLKSA-N 1 2 261.285 0.565 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001093582541 841350885 /nfs/dbraw/zinc/35/08/85/841350885.db2.gz WOYIJZMJWCXJTE-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)CCCn2cc[nH+]c2)cn1 ZINC001093714913 841444520 /nfs/dbraw/zinc/44/45/20/841444520.db2.gz VBZOSJVELLKHKZ-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001094024786 841512888 /nfs/dbraw/zinc/51/28/88/841512888.db2.gz YJBOFPHXWVQPAR-UHFFFAOYSA-N 1 2 299.338 0.472 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cnc(C#N)cn1 ZINC001094188728 841561329 /nfs/dbraw/zinc/56/13/29/841561329.db2.gz LCXGCEXUFPWBKP-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cnc(C#N)cn1 ZINC001094188728 841561337 /nfs/dbraw/zinc/56/13/37/841561337.db2.gz LCXGCEXUFPWBKP-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cc[nH]c3)nn2)C1 ZINC001094293504 841601384 /nfs/dbraw/zinc/60/13/84/841601384.db2.gz QHJHFMZHKQUCGB-UHFFFAOYSA-N 1 2 298.350 0.416 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC3(F)F)CC2=O)C1 ZINC001094735879 841715500 /nfs/dbraw/zinc/71/55/00/841715500.db2.gz VPPQPLZEASPEQD-ONGXEEELSA-N 1 2 299.321 0.229 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172731845 841958132 /nfs/dbraw/zinc/95/81/32/841958132.db2.gz IWWGPLPHVDIFID-VIFPVBQESA-N 1 2 276.358 0.278 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCOC[C@H]3C#N)cc2C1 ZINC001175076247 842228843 /nfs/dbraw/zinc/22/88/43/842228843.db2.gz COECSCCBGOQTPQ-GFCCVEGCSA-N 1 2 289.339 0.083 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)N3CCOC[C@H]3C#N)cc2C1 ZINC001175076247 842228849 /nfs/dbraw/zinc/22/88/49/842228849.db2.gz COECSCCBGOQTPQ-GFCCVEGCSA-N 1 2 289.339 0.083 20 30 CCEDLO COc1ccc(C(=NC(=O)Cc2c[nH]c[nH+]2)NO)nc1 ZINC001176837009 842423840 /nfs/dbraw/zinc/42/38/40/842423840.db2.gz WJYYKRABRKWJDA-UHFFFAOYSA-N 1 2 275.268 0.308 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929089 842452828 /nfs/dbraw/zinc/45/28/28/842452828.db2.gz COYWBGPRKHSYEK-NEPJUHHUSA-N 1 2 283.397 0.565 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929089 842452838 /nfs/dbraw/zinc/45/28/38/842452838.db2.gz COYWBGPRKHSYEK-NEPJUHHUSA-N 1 2 283.397 0.565 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900859 842459048 /nfs/dbraw/zinc/45/90/48/842459048.db2.gz RRTQUGWBMNCRMZ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900859 842459054 /nfs/dbraw/zinc/45/90/54/842459054.db2.gz RRTQUGWBMNCRMZ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176989552 842479387 /nfs/dbraw/zinc/47/93/87/842479387.db2.gz UCIXNDDBPNCNFC-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176989552 842479391 /nfs/dbraw/zinc/47/93/91/842479391.db2.gz UCIXNDDBPNCNFC-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927319 842716520 /nfs/dbraw/zinc/71/65/20/842716520.db2.gz RHZPTZODWDZEOG-SNVBAGLBSA-N 1 2 251.286 0.680 20 30 CCEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178115592 842761588 /nfs/dbraw/zinc/76/15/88/842761588.db2.gz CLSGOLBRPRIKDQ-VWYCJHECSA-N 1 2 262.288 0.908 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119801 842763265 /nfs/dbraw/zinc/76/32/65/842763265.db2.gz WNZXPDRWXFFBBX-UWVGGRQHSA-N 1 2 276.296 0.017 20 30 CCEDLO C=CCN1CC2(C[NH+](CC(C)(C)OCC)C2)OCC1=O ZINC001273472737 843626089 /nfs/dbraw/zinc/62/60/89/843626089.db2.gz LILOKZHWLGTUOW-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182504487 843848009 /nfs/dbraw/zinc/84/80/09/843848009.db2.gz DNMADHQFSZXSNT-CMPLNLGQSA-N 1 2 292.339 0.107 20 30 CCEDLO C#CC(C)(C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001182642012 843886351 /nfs/dbraw/zinc/88/63/51/843886351.db2.gz WVHQMQZDZQWLGW-NSHDSACASA-N 1 2 277.324 0.280 20 30 CCEDLO Cc1oncc1S(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001187413954 844721427 /nfs/dbraw/zinc/72/14/27/844721427.db2.gz MEJXMARSYULPBL-UHFFFAOYSA-N 1 2 284.341 0.249 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CCCOC)C(=O)CO2 ZINC001273541708 844731043 /nfs/dbraw/zinc/73/10/43/844731043.db2.gz ITTSCYXQSIBEHS-UHFFFAOYSA-N 1 2 280.368 0.350 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394615 844735298 /nfs/dbraw/zinc/73/52/98/844735298.db2.gz HEBHTPDKGVXWON-LOWDOPEQSA-N 1 2 292.383 0.346 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394615 844735301 /nfs/dbraw/zinc/73/53/01/844735301.db2.gz HEBHTPDKGVXWON-LOWDOPEQSA-N 1 2 292.383 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001188739247 844965496 /nfs/dbraw/zinc/96/54/96/844965496.db2.gz GPNCSHWZQVUUAF-CQSZACIVSA-N 1 2 269.304 0.724 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001188739247 844965501 /nfs/dbraw/zinc/96/55/01/844965501.db2.gz GPNCSHWZQVUUAF-CQSZACIVSA-N 1 2 269.304 0.724 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)nc1 ZINC001190597011 845442190 /nfs/dbraw/zinc/44/21/90/845442190.db2.gz ANIITJPXUOAIGM-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@H]1O ZINC001191622463 845696552 /nfs/dbraw/zinc/69/65/52/845696552.db2.gz NLAFMGXFFIDUIJ-MGPQQGTHSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@H]1O ZINC001191622463 845696554 /nfs/dbraw/zinc/69/65/54/845696554.db2.gz NLAFMGXFFIDUIJ-MGPQQGTHSA-N 1 2 280.368 0.152 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191854324 845742138 /nfs/dbraw/zinc/74/21/38/845742138.db2.gz KYEWMYSXVKJYOG-NUEKZKHPSA-N 1 2 297.358 0.359 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191854324 845742140 /nfs/dbraw/zinc/74/21/40/845742140.db2.gz KYEWMYSXVKJYOG-NUEKZKHPSA-N 1 2 297.358 0.359 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191907178 845751172 /nfs/dbraw/zinc/75/11/72/845751172.db2.gz NYRYCIDDOCAPCQ-MGPQQGTHSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191907178 845751174 /nfs/dbraw/zinc/75/11/74/845751174.db2.gz NYRYCIDDOCAPCQ-MGPQQGTHSA-N 1 2 282.384 0.234 20 30 CCEDLO Cc1ncc(C(=O)NCCn2cc[nH+]c2)cc1C#N ZINC001192279380 845813871 /nfs/dbraw/zinc/81/38/71/845813871.db2.gz HSYCOTWESNBNQV-UHFFFAOYSA-N 1 2 255.281 0.888 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001193186368 846029294 /nfs/dbraw/zinc/02/92/94/846029294.db2.gz VIMNTCHHUJNYEC-SECBINFHSA-N 1 2 268.342 0.940 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)SC)CO2 ZINC001273674892 846277146 /nfs/dbraw/zinc/27/71/46/846277146.db2.gz AOKVILYRYYHIOZ-NEPJUHHUSA-N 1 2 282.409 0.721 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C=O)CC1 ZINC001194666871 846350112 /nfs/dbraw/zinc/35/01/12/846350112.db2.gz VWGFDIVEQKYTAV-GFCCVEGCSA-N 1 2 278.356 0.101 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C=O)CC1 ZINC001194666871 846350124 /nfs/dbraw/zinc/35/01/24/846350124.db2.gz VWGFDIVEQKYTAV-GFCCVEGCSA-N 1 2 278.356 0.101 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194898177 846412118 /nfs/dbraw/zinc/41/21/18/846412118.db2.gz RQEQMABEMHZFJD-UONOGXRCSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194898177 846412125 /nfs/dbraw/zinc/41/21/25/846412125.db2.gz RQEQMABEMHZFJD-UONOGXRCSA-N 1 2 293.411 0.705 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)OC)CC1 ZINC001195211493 846480854 /nfs/dbraw/zinc/48/08/54/846480854.db2.gz YOVDBEGMQBXBLU-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)OC)CC1 ZINC001195211493 846480856 /nfs/dbraw/zinc/48/08/56/846480856.db2.gz YOVDBEGMQBXBLU-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315119 846503578 /nfs/dbraw/zinc/50/35/78/846503578.db2.gz YWFIZAAELJOENU-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315119 846503590 /nfs/dbraw/zinc/50/35/90/846503590.db2.gz YWFIZAAELJOENU-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001195785424 846623360 /nfs/dbraw/zinc/62/33/60/846623360.db2.gz LOLCYCUONPETFU-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001195785424 846623366 /nfs/dbraw/zinc/62/33/66/846623366.db2.gz LOLCYCUONPETFU-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)c2ncccc2C#N)[nH+]1 ZINC001196561278 846776326 /nfs/dbraw/zinc/77/63/26/846776326.db2.gz NELYSFCDWGETCG-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196889330 846811126 /nfs/dbraw/zinc/81/11/26/846811126.db2.gz BZVZZQLRJJPANJ-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196889330 846811134 /nfs/dbraw/zinc/81/11/34/846811134.db2.gz BZVZZQLRJJPANJ-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCOCC[N@@H+]1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001197767781 846958463 /nfs/dbraw/zinc/95/84/63/846958463.db2.gz HXHICABFHSZFTH-UHFFFAOYSA-N 1 2 293.371 0.084 20 30 CCEDLO C=CCOCC[N@H+]1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001197767781 846958474 /nfs/dbraw/zinc/95/84/74/846958474.db2.gz HXHICABFHSZFTH-UHFFFAOYSA-N 1 2 293.371 0.084 20 30 CCEDLO N#CCNC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104807 847722681 /nfs/dbraw/zinc/72/26/81/847722681.db2.gz UHQCLYVWMYIKGP-ZDUSSCGKSA-N 1 2 291.355 0.004 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@H](O)C(C)C)C2)OCC1=O ZINC001273895483 847781985 /nfs/dbraw/zinc/78/19/85/847781985.db2.gz QUWVEUHCLZBLCE-ZDUSSCGKSA-N 1 2 282.384 0.493 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273907345 847816142 /nfs/dbraw/zinc/81/61/42/847816142.db2.gz MKESNLKUNGEOML-SWLSCSKDSA-N 1 2 278.352 0.638 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273907345 847816151 /nfs/dbraw/zinc/81/61/51/847816151.db2.gz MKESNLKUNGEOML-SWLSCSKDSA-N 1 2 278.352 0.638 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OC ZINC001273931718 847862421 /nfs/dbraw/zinc/86/24/21/847862421.db2.gz SBSCRPDFZMBKMK-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OC ZINC001273931718 847862425 /nfs/dbraw/zinc/86/24/25/847862425.db2.gz SBSCRPDFZMBKMK-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cnccc3C#N)C[C@@H](C1)O2 ZINC001273942460 847895480 /nfs/dbraw/zinc/89/54/80/847895480.db2.gz LIMDXUZTSDRUQS-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cnccc3C#N)C[C@@H](C1)O2 ZINC001273942460 847895486 /nfs/dbraw/zinc/89/54/86/847895486.db2.gz LIMDXUZTSDRUQS-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001153086085 847924016 /nfs/dbraw/zinc/92/40/16/847924016.db2.gz RCWSDSVBFVHASU-UHFFFAOYSA-N 1 2 294.355 0.746 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001153149391 847933140 /nfs/dbraw/zinc/93/31/40/847933140.db2.gz WVNSMMLFCYTYFV-ZJUUUORDSA-N 1 2 282.344 0.736 20 30 CCEDLO CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031486 848311939 /nfs/dbraw/zinc/31/19/39/848311939.db2.gz RUTXYEXSUWAWDT-CHWSQXEVSA-N 1 2 293.367 0.917 20 30 CCEDLO CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031486 848311950 /nfs/dbraw/zinc/31/19/50/848311950.db2.gz RUTXYEXSUWAWDT-CHWSQXEVSA-N 1 2 293.367 0.917 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001275115895 848642052 /nfs/dbraw/zinc/64/20/52/848642052.db2.gz SCOYZRPFKOTYKC-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001275115895 848642054 /nfs/dbraw/zinc/64/20/54/848642054.db2.gz SCOYZRPFKOTYKC-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001275558544 848761673 /nfs/dbraw/zinc/76/16/73/848761673.db2.gz DKEPECFFMSBCQK-OLZOCXBDSA-N 1 2 293.367 0.958 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C ZINC001275558544 848761676 /nfs/dbraw/zinc/76/16/76/848761676.db2.gz DKEPECFFMSBCQK-OLZOCXBDSA-N 1 2 293.367 0.958 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110897365 849016819 /nfs/dbraw/zinc/01/68/19/849016819.db2.gz KBUVUGNNAQKRSQ-MXWKQRLJSA-N 1 2 265.357 0.405 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110897365 849016831 /nfs/dbraw/zinc/01/68/31/849016831.db2.gz KBUVUGNNAQKRSQ-MXWKQRLJSA-N 1 2 265.357 0.405 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110903792 849020489 /nfs/dbraw/zinc/02/04/89/849020489.db2.gz VESLXBPXGMWSBO-LPWJVIDDSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110903792 849020496 /nfs/dbraw/zinc/02/04/96/849020496.db2.gz VESLXBPXGMWSBO-LPWJVIDDSA-N 1 2 295.358 0.205 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001253573026 849504614 /nfs/dbraw/zinc/50/46/14/849504614.db2.gz RCKYZNSBYKTEKQ-YIZRAAEISA-N 1 2 257.227 0.871 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001253573026 849504619 /nfs/dbraw/zinc/50/46/19/849504619.db2.gz RCKYZNSBYKTEKQ-YIZRAAEISA-N 1 2 257.227 0.871 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001114893920 849586037 /nfs/dbraw/zinc/58/60/37/849586037.db2.gz AHWQYLLOGMTLEK-NMKXLXIOSA-N 1 2 273.340 0.404 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2CC2)C1=O ZINC001037987665 849622617 /nfs/dbraw/zinc/62/26/17/849622617.db2.gz WMOGIVXSNJQTON-QWHCGFSZSA-N 1 2 277.368 0.374 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2CC2)C1=O ZINC001037987665 849622620 /nfs/dbraw/zinc/62/26/20/849622620.db2.gz WMOGIVXSNJQTON-QWHCGFSZSA-N 1 2 277.368 0.374 20 30 CCEDLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001037990131 849624827 /nfs/dbraw/zinc/62/48/27/849624827.db2.gz JZSPZFIQPODUHI-QWHCGFSZSA-N 1 2 275.356 0.623 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001015475101 849750186 /nfs/dbraw/zinc/75/01/86/849750186.db2.gz KFHFVBGKADYYRU-AWEZNQCLSA-N 1 2 285.347 0.218 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001015475101 849750193 /nfs/dbraw/zinc/75/01/93/849750193.db2.gz KFHFVBGKADYYRU-AWEZNQCLSA-N 1 2 285.347 0.218 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001038637656 849764623 /nfs/dbraw/zinc/76/46/23/849764623.db2.gz KRXBHUHRHNSYMP-QWHCGFSZSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001038637656 849764638 /nfs/dbraw/zinc/76/46/38/849764638.db2.gz KRXBHUHRHNSYMP-QWHCGFSZSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376333 849869863 /nfs/dbraw/zinc/86/98/63/849869863.db2.gz SVAQTFRGSRPRAR-LLVKDONJSA-N 1 2 286.335 0.497 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376333 849869869 /nfs/dbraw/zinc/86/98/69/849869869.db2.gz SVAQTFRGSRPRAR-LLVKDONJSA-N 1 2 286.335 0.497 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038423880 849890378 /nfs/dbraw/zinc/89/03/78/849890378.db2.gz GWVFTBYVFPRUNU-AAEUAGOBSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001038426577 849892318 /nfs/dbraw/zinc/89/23/18/849892318.db2.gz JRNWODJDNDVIBU-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001038426577 849892324 /nfs/dbraw/zinc/89/23/24/849892324.db2.gz JRNWODJDNDVIBU-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001038454092 849906577 /nfs/dbraw/zinc/90/65/77/849906577.db2.gz DXNQIRQQGSNUOI-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001038454092 849906581 /nfs/dbraw/zinc/90/65/81/849906581.db2.gz DXNQIRQQGSNUOI-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001038501791 849924435 /nfs/dbraw/zinc/92/44/35/849924435.db2.gz IZLQPDIPKFDCEQ-SOUVJXGZSA-N 1 2 276.380 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001038501791 849924443 /nfs/dbraw/zinc/92/44/43/849924443.db2.gz IZLQPDIPKFDCEQ-SOUVJXGZSA-N 1 2 276.380 0.873 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038632907 849964636 /nfs/dbraw/zinc/96/46/36/849964636.db2.gz CGAKHSPBLKFUIQ-CYBMUJFWSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038632907 849964640 /nfs/dbraw/zinc/96/46/40/849964640.db2.gz CGAKHSPBLKFUIQ-CYBMUJFWSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038647438 849967911 /nfs/dbraw/zinc/96/79/11/849967911.db2.gz RHGFQKGDBNEQKB-VIFPVBQESA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038647438 849967914 /nfs/dbraw/zinc/96/79/14/849967914.db2.gz RHGFQKGDBNEQKB-VIFPVBQESA-N 1 2 285.307 0.101 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038692236 849983981 /nfs/dbraw/zinc/98/39/81/849983981.db2.gz MJWKGOZEFCVZJW-SNVBAGLBSA-N 1 2 263.297 0.369 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038692236 849983984 /nfs/dbraw/zinc/98/39/84/849983984.db2.gz MJWKGOZEFCVZJW-SNVBAGLBSA-N 1 2 263.297 0.369 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001038719350 849995092 /nfs/dbraw/zinc/99/50/92/849995092.db2.gz KACDIOVJEONVRH-HZSPNIEDSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001038719350 849995099 /nfs/dbraw/zinc/99/50/99/849995099.db2.gz KACDIOVJEONVRH-HZSPNIEDSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038761041 850006633 /nfs/dbraw/zinc/00/66/33/850006633.db2.gz JQIYOUKFPGMTKT-ZFWWWQNUSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038761041 850006640 /nfs/dbraw/zinc/00/66/40/850006640.db2.gz JQIYOUKFPGMTKT-ZFWWWQNUSA-N 1 2 288.322 0.953 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001038824726 850029514 /nfs/dbraw/zinc/02/95/14/850029514.db2.gz JZFWZXGIYULUJC-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001038824726 850029521 /nfs/dbraw/zinc/02/95/21/850029521.db2.gz JZFWZXGIYULUJC-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038913219 850079238 /nfs/dbraw/zinc/07/92/38/850079238.db2.gz WJCIIUIJQGURGO-NSHDSACASA-N 1 2 272.352 0.346 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038913219 850079244 /nfs/dbraw/zinc/07/92/44/850079244.db2.gz WJCIIUIJQGURGO-NSHDSACASA-N 1 2 272.352 0.346 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1COC ZINC001038916523 850081290 /nfs/dbraw/zinc/08/12/90/850081290.db2.gz ZQFSIIUGGJRHQH-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1COC ZINC001038916523 850081303 /nfs/dbraw/zinc/08/13/03/850081303.db2.gz ZQFSIIUGGJRHQH-SNVBAGLBSA-N 1 2 265.313 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039063539 850142547 /nfs/dbraw/zinc/14/25/47/850142547.db2.gz RXPUPKJYGOEVAB-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039063539 850142552 /nfs/dbraw/zinc/14/25/52/850142552.db2.gz RXPUPKJYGOEVAB-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039059015 850143268 /nfs/dbraw/zinc/14/32/68/850143268.db2.gz ACQPPXCUGIREJX-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039059015 850143274 /nfs/dbraw/zinc/14/32/74/850143274.db2.gz ACQPPXCUGIREJX-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041137930 850381829 /nfs/dbraw/zinc/38/18/29/850381829.db2.gz ZKGVKVVEWUTKEK-SMDDNHRTSA-N 1 2 289.339 0.654 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041137930 850381836 /nfs/dbraw/zinc/38/18/36/850381836.db2.gz ZKGVKVVEWUTKEK-SMDDNHRTSA-N 1 2 289.339 0.654 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041786151 850502294 /nfs/dbraw/zinc/50/22/94/850502294.db2.gz FCJRZUDYYVYRIJ-OAHLLOKOSA-N 1 2 287.367 0.411 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2=COCCO2)C1 ZINC001042430209 850640755 /nfs/dbraw/zinc/64/07/55/850640755.db2.gz JIDOOIFEWZSQMB-UHFFFAOYSA-N 1 2 252.314 0.593 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCCC2=O)C1 ZINC001042461858 850653289 /nfs/dbraw/zinc/65/32/89/850653289.db2.gz JZOXFOUFLHTWOU-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001042493820 850664997 /nfs/dbraw/zinc/66/49/97/850664997.db2.gz RXUBTRZNTKCOEN-UHFFFAOYSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001042723876 850744459 /nfs/dbraw/zinc/74/44/59/850744459.db2.gz NVHAKIMTRPJNFI-CYBMUJFWSA-N 1 2 286.379 0.996 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001042835910 850766838 /nfs/dbraw/zinc/76/68/38/850766838.db2.gz WIIWRLAGRHTVMJ-LLVKDONJSA-N 1 2 293.367 0.243 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001043006703 850794672 /nfs/dbraw/zinc/79/46/72/850794672.db2.gz NRCJLFUWMWDYRM-UHFFFAOYSA-N 1 2 264.329 0.756 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001043186214 850828930 /nfs/dbraw/zinc/82/89/30/850828930.db2.gz HAMCNGYCFJXLSR-GHMZBOCLSA-N 1 2 265.357 0.230 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCCCC2=O)C1 ZINC001043206835 850835648 /nfs/dbraw/zinc/83/56/48/850835648.db2.gz BXTKOKHKQQQLKW-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001043267635 850844659 /nfs/dbraw/zinc/84/46/59/850844659.db2.gz FBFQBJNCLSKXEY-GFCCVEGCSA-N 1 2 294.399 0.496 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001043442040 850874162 /nfs/dbraw/zinc/87/41/62/850874162.db2.gz VJBNGCIRMHWGTA-AEGPPILISA-N 1 2 294.395 0.757 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001043456259 850875670 /nfs/dbraw/zinc/87/56/70/850875670.db2.gz ZUERFMJORCNBLO-HNNXBMFYSA-N 1 2 295.427 0.816 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001043456259 850875675 /nfs/dbraw/zinc/87/56/75/850875675.db2.gz ZUERFMJORCNBLO-HNNXBMFYSA-N 1 2 295.427 0.816 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001043637329 850915484 /nfs/dbraw/zinc/91/54/84/850915484.db2.gz HXUHVSPAJIKABA-ZDUSSCGKSA-N 1 2 256.321 0.834 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001043657095 850918452 /nfs/dbraw/zinc/91/84/52/850918452.db2.gz DJVWLWFLJZRZDR-UHFFFAOYSA-N 1 2 289.335 0.087 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(=O)n2C)C1 ZINC001043825202 850943433 /nfs/dbraw/zinc/94/34/33/850943433.db2.gz YLBAXAZCKVNFPZ-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001043898062 850960748 /nfs/dbraw/zinc/96/07/48/850960748.db2.gz OKGVMPYTQPNPBI-NEPJUHHUSA-N 1 2 265.357 0.039 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCCF)C2)nn1 ZINC001044022097 850987882 /nfs/dbraw/zinc/98/78/82/850987882.db2.gz FDMSETSKAVVMGX-UHFFFAOYSA-N 1 2 281.335 0.580 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)cn1 ZINC001044205841 851042839 /nfs/dbraw/zinc/04/28/39/851042839.db2.gz KSMIMIIFFOWZEJ-NSHDSACASA-N 1 2 273.336 0.200 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001044328850 851078233 /nfs/dbraw/zinc/07/82/33/851078233.db2.gz PXWXJWPGALHAAE-GFCCVEGCSA-N 1 2 289.383 0.559 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nn(CC)nc2C)C1 ZINC001044375794 851091290 /nfs/dbraw/zinc/09/12/90/851091290.db2.gz XTWVAWBXXZXJPK-UHFFFAOYSA-N 1 2 275.356 0.386 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044836326 851167215 /nfs/dbraw/zinc/16/72/15/851167215.db2.gz JWYRGRKNYCAACC-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC001046003534 851345998 /nfs/dbraw/zinc/34/59/98/851345998.db2.gz GQHDDHNPPMDHJV-ZDUSSCGKSA-N 1 2 287.367 0.370 20 30 CCEDLO C#CC[NH+]1CCN(c2cncc(C(=O)OC)n2)CC1 ZINC000383703986 851414132 /nfs/dbraw/zinc/41/41/32/851414132.db2.gz HNSBXESAHXMGEQ-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN(CC#N)C1 ZINC001046433514 851504066 /nfs/dbraw/zinc/50/40/66/851504066.db2.gz GTHYOINEKOKBMP-IUODEOHRSA-N 1 2 287.367 0.550 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001047317055 851712678 /nfs/dbraw/zinc/71/26/78/851712678.db2.gz NQMDEWVGCQITDJ-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001047317055 851712686 /nfs/dbraw/zinc/71/26/86/851712686.db2.gz NQMDEWVGCQITDJ-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsn2)C1 ZINC001047422818 851758805 /nfs/dbraw/zinc/75/88/05/851758805.db2.gz CVIAZFNBTSCNPX-RYUDHWBXSA-N 1 2 279.365 0.284 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsn2)C1 ZINC001047422818 851758822 /nfs/dbraw/zinc/75/88/22/851758822.db2.gz CVIAZFNBTSCNPX-RYUDHWBXSA-N 1 2 279.365 0.284 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001047439915 851764017 /nfs/dbraw/zinc/76/40/17/851764017.db2.gz XDEBOZPMIBPWLE-KBPBESRZSA-N 1 2 290.367 0.113 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001047439915 851764021 /nfs/dbraw/zinc/76/40/21/851764021.db2.gz XDEBOZPMIBPWLE-KBPBESRZSA-N 1 2 290.367 0.113 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001047516070 851796605 /nfs/dbraw/zinc/79/66/05/851796605.db2.gz RWWPHPPPJYVNDF-QWRGUYRKSA-N 1 2 282.727 0.683 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001047516070 851796610 /nfs/dbraw/zinc/79/66/10/851796610.db2.gz RWWPHPPPJYVNDF-QWRGUYRKSA-N 1 2 282.727 0.683 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC001047588715 851827397 /nfs/dbraw/zinc/82/73/97/851827397.db2.gz QDZRZVKNNKAXIQ-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC001047588715 851827406 /nfs/dbraw/zinc/82/74/06/851827406.db2.gz QDZRZVKNNKAXIQ-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001047597187 851829865 /nfs/dbraw/zinc/82/98/65/851829865.db2.gz HQLZBKNEDUZPBE-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001047597187 851829870 /nfs/dbraw/zinc/82/98/70/851829870.db2.gz HQLZBKNEDUZPBE-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001048954343 852119228 /nfs/dbraw/zinc/11/92/28/852119228.db2.gz NJLLKXXPDCXWCF-BETUJISGSA-N 1 2 287.367 0.266 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001049985486 852413622 /nfs/dbraw/zinc/41/36/22/852413622.db2.gz ZKKSNWULNLXJLA-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001049985486 852413625 /nfs/dbraw/zinc/41/36/25/852413625.db2.gz ZKKSNWULNLXJLA-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001097792774 852615826 /nfs/dbraw/zinc/61/58/26/852615826.db2.gz SUJIKCWYGNFZCY-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 ZINC001053183315 852703987 /nfs/dbraw/zinc/70/39/87/852703987.db2.gz UYBZOLSNIKXRIJ-AWEZNQCLSA-N 1 2 294.395 0.902 20 30 CCEDLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2)OC ZINC001053190811 852706960 /nfs/dbraw/zinc/70/69/60/852706960.db2.gz GFFIZYZTRLLZEJ-STQMWFEESA-N 1 2 295.383 0.484 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@@H](C)CO1)CCO2 ZINC001053347638 852730947 /nfs/dbraw/zinc/73/09/47/852730947.db2.gz NUWKVDFGYQVSQE-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@]1(F)CCOC1)CCO2 ZINC001053392932 852737441 /nfs/dbraw/zinc/73/74/41/852737441.db2.gz HFCHYBKXNHFQGP-OAHLLOKOSA-N 1 2 298.358 0.604 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCOC1)O2 ZINC001053580794 852765989 /nfs/dbraw/zinc/76/59/89/852765989.db2.gz JTNPEGFCUYJNEF-KBPBESRZSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@]13C[C@H]1COC3)O2 ZINC001053600165 852770109 /nfs/dbraw/zinc/77/01/09/852770109.db2.gz AVXQDNHOWQGNIQ-XEZPLFJOSA-N 1 2 292.379 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCO1)CO2 ZINC001053729893 852792615 /nfs/dbraw/zinc/79/26/15/852792615.db2.gz VBRFLCGGWHXHIR-OLZOCXBDSA-N 1 2 278.352 0.148 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053766687 852813395 /nfs/dbraw/zinc/81/33/95/852813395.db2.gz SMPGSLVSJQCXHP-LLVKDONJSA-N 1 2 274.324 0.479 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780370 852817865 /nfs/dbraw/zinc/81/78/65/852817865.db2.gz JXGACIVMEZAHFD-AWEZNQCLSA-N 1 2 298.346 0.483 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]nnc1C)CO2 ZINC001053889986 852840389 /nfs/dbraw/zinc/84/03/89/852840389.db2.gz WTDRKLWLDURMEH-NSHDSACASA-N 1 2 291.355 0.262 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)CO2 ZINC001053928606 852849587 /nfs/dbraw/zinc/84/95/87/852849587.db2.gz GDENOGCSGMHRLJ-MCIONIFRSA-N 1 2 292.379 0.394 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c[nH]1)CO2 ZINC001053950954 852852923 /nfs/dbraw/zinc/85/29/23/852852923.db2.gz MGEDFYRIKOJLOR-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)CO2 ZINC001053993785 852864697 /nfs/dbraw/zinc/86/46/97/852864697.db2.gz URHLFUXSWKSDSV-GFCCVEGCSA-N 1 2 290.367 0.406 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NCC#N ZINC001054630333 852983520 /nfs/dbraw/zinc/98/35/20/852983520.db2.gz XNBYELXBZNCLSS-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NCC#N ZINC001054630337 852983689 /nfs/dbraw/zinc/98/36/89/852983689.db2.gz XNBYELXBZNCLSS-QWRGUYRKSA-N 1 2 261.329 0.302 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001050851510 853462989 /nfs/dbraw/zinc/46/29/89/853462989.db2.gz WHMGMDYQKJALJI-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001050851510 853462993 /nfs/dbraw/zinc/46/29/93/853462993.db2.gz WHMGMDYQKJALJI-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051062811 853515981 /nfs/dbraw/zinc/51/59/81/853515981.db2.gz AZYVPWKPTUZNHO-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051062811 853515984 /nfs/dbraw/zinc/51/59/84/853515984.db2.gz AZYVPWKPTUZNHO-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001051067596 853516918 /nfs/dbraw/zinc/51/69/18/853516918.db2.gz GBDFUYJBRUOTJQ-SNVBAGLBSA-N 1 2 297.380 0.855 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001051067596 853516922 /nfs/dbraw/zinc/51/69/22/853516922.db2.gz GBDFUYJBRUOTJQ-SNVBAGLBSA-N 1 2 297.380 0.855 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001051184900 853542726 /nfs/dbraw/zinc/54/27/26/853542726.db2.gz LCDYHKVOPCJEOF-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001051184900 853542727 /nfs/dbraw/zinc/54/27/27/853542727.db2.gz LCDYHKVOPCJEOF-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051982092 853669668 /nfs/dbraw/zinc/66/96/68/853669668.db2.gz XOUJUJQPSFHGSB-CYBMUJFWSA-N 1 2 281.425 0.201 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051982092 853669672 /nfs/dbraw/zinc/66/96/72/853669672.db2.gz XOUJUJQPSFHGSB-CYBMUJFWSA-N 1 2 281.425 0.201 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001052024628 853677076 /nfs/dbraw/zinc/67/70/76/853677076.db2.gz IJEIAUWEQWNACX-ZDUSSCGKSA-N 1 2 289.383 0.428 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001052088914 853681066 /nfs/dbraw/zinc/68/10/66/853681066.db2.gz NDJJUSFDZQQWGB-OWCLPIDISA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052067860 853682343 /nfs/dbraw/zinc/68/23/43/853682343.db2.gz PXQQCANKWKHHKB-XHSDSOJGSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](n2ccnn2)C1 ZINC001069888552 853995143 /nfs/dbraw/zinc/99/51/43/853995143.db2.gz DATZWRBHEPPSLC-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](n2ccnn2)C1 ZINC001069888552 853995148 /nfs/dbraw/zinc/99/51/48/853995148.db2.gz DATZWRBHEPPSLC-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CCC3)[C@@H](n2ccnn2)C1 ZINC001070041022 854019472 /nfs/dbraw/zinc/01/94/72/854019472.db2.gz RKAKTRXQCHSNLX-MCIONIFRSA-N 1 2 299.378 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCC3)[C@@H](n2ccnn2)C1 ZINC001070041022 854019477 /nfs/dbraw/zinc/01/94/77/854019477.db2.gz RKAKTRXQCHSNLX-MCIONIFRSA-N 1 2 299.378 0.443 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1NCC#N ZINC001070695067 854088306 /nfs/dbraw/zinc/08/83/06/854088306.db2.gz NGSPTIMAUJDOJC-JHJVBQTASA-N 1 2 299.378 0.628 20 30 CCEDLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 ZINC001071258521 854144520 /nfs/dbraw/zinc/14/45/20/854144520.db2.gz JPECEBMAYGEOHD-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 ZINC001071258521 854144522 /nfs/dbraw/zinc/14/45/22/854144522.db2.gz JPECEBMAYGEOHD-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071731425 854272547 /nfs/dbraw/zinc/27/25/47/854272547.db2.gz DGQSYDCUYGGFIH-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071731425 854272556 /nfs/dbraw/zinc/27/25/56/854272556.db2.gz DGQSYDCUYGGFIH-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072552198 854413938 /nfs/dbraw/zinc/41/39/38/854413938.db2.gz NFVDDXFVJSWEAQ-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072552198 854413940 /nfs/dbraw/zinc/41/39/40/854413940.db2.gz NFVDDXFVJSWEAQ-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001072602710 854427580 /nfs/dbraw/zinc/42/75/80/854427580.db2.gz LQWBTOMFNPMJMT-NEPJUHHUSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001074362365 854715313 /nfs/dbraw/zinc/71/53/13/854715313.db2.gz CNDLTRNMJZQWOG-STQMWFEESA-N 1 2 292.339 0.561 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001074362365 854715320 /nfs/dbraw/zinc/71/53/20/854715320.db2.gz CNDLTRNMJZQWOG-STQMWFEESA-N 1 2 292.339 0.561 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001074570117 854749782 /nfs/dbraw/zinc/74/97/82/854749782.db2.gz ORPJIDCHOCELSQ-DCAQKATOSA-N 1 2 291.355 0.871 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC001074956884 854801763 /nfs/dbraw/zinc/80/17/63/854801763.db2.gz GKJZDQUMQQSRCI-GVXVVHGQSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC001074956884 854801772 /nfs/dbraw/zinc/80/17/72/854801772.db2.gz GKJZDQUMQQSRCI-GVXVVHGQSA-N 1 2 275.356 0.691 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700452 854877150 /nfs/dbraw/zinc/87/71/50/854877150.db2.gz MBXOGZKUVBMMCD-UBHSHLNASA-N 1 2 287.367 0.430 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ncccc1C#N ZINC001100250533 855130017 /nfs/dbraw/zinc/13/00/17/855130017.db2.gz HAGITYXUQMXVAM-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CCN(CCNC(=O)CSCC#N)c1cc[nH+]c(C)n1 ZINC001100449039 855170746 /nfs/dbraw/zinc/17/07/46/855170746.db2.gz SGKDOFWKOAFTDP-UHFFFAOYSA-N 1 2 293.396 0.984 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCOC)c1nccn12 ZINC001101601621 855322856 /nfs/dbraw/zinc/32/28/56/855322856.db2.gz VRGPKWVHXCZIHA-GFCCVEGCSA-N 1 2 290.367 0.678 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)CCn1cc[nH+]c1 ZINC001101889296 855386779 /nfs/dbraw/zinc/38/67/79/855386779.db2.gz VFFFDACHNGRMJP-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975739 855402480 /nfs/dbraw/zinc/40/24/80/855402480.db2.gz OVIIFMLMHWXIFS-UHFFFAOYSA-N 1 2 284.323 0.211 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102480924 855438101 /nfs/dbraw/zinc/43/81/01/855438101.db2.gz MWXQFRHHCMNYOG-GHMZBOCLSA-N 1 2 261.329 0.160 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)nn1 ZINC001104053167 855565141 /nfs/dbraw/zinc/56/51/41/855565141.db2.gz SIXKWURYQUEFAR-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001115766577 855694601 /nfs/dbraw/zinc/69/46/01/855694601.db2.gz LFCNVLYCFVWSHE-LBPRGKRZSA-N 1 2 298.350 0.531 20 30 CCEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001115766958 855694618 /nfs/dbraw/zinc/69/46/18/855694618.db2.gz VDGGFAXTIQQQPQ-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO C=CCn1cnn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC001116886943 855857930 /nfs/dbraw/zinc/85/79/30/855857930.db2.gz VDUATEQSWVWIQD-LBPRGKRZSA-N 1 2 281.385 0.755 20 30 CCEDLO C=CCn1cnn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC001116886943 855857935 /nfs/dbraw/zinc/85/79/35/855857935.db2.gz VDUATEQSWVWIQD-LBPRGKRZSA-N 1 2 281.385 0.755 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001117868353 856095577 /nfs/dbraw/zinc/09/55/77/856095577.db2.gz YVOHBRXKBKKGPD-UHFFFAOYSA-N 1 2 265.357 0.185 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC(C)(C)C#N ZINC001119658660 856821740 /nfs/dbraw/zinc/82/17/40/856821740.db2.gz LCUJOROWGRJHCN-SECBINFHSA-N 1 2 250.302 0.510 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001398873590 914904143 /nfs/dbraw/zinc/90/41/43/914904143.db2.gz HARVSOXQYJPKMS-RQJHMYQMSA-N 1 2 287.270 0.761 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001323299738 912255130 /nfs/dbraw/zinc/25/51/30/912255130.db2.gz YCRHCXDDXNUEIY-QWHCGFSZSA-N 1 2 290.367 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC001323341182 912279685 /nfs/dbraw/zinc/27/96/85/912279685.db2.gz TUOIVKWZGLKBBZ-AWEZNQCLSA-N 1 2 285.347 0.240 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC001323341182 912279696 /nfs/dbraw/zinc/27/96/96/912279696.db2.gz TUOIVKWZGLKBBZ-AWEZNQCLSA-N 1 2 285.347 0.240 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)nc1 ZINC001324968982 913124111 /nfs/dbraw/zinc/12/41/11/913124111.db2.gz ODUFPOPAKSNJTD-UHFFFAOYSA-N 1 2 296.290 0.131 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC001325129493 913235398 /nfs/dbraw/zinc/23/53/98/913235398.db2.gz YTBXMEDMIQHDHP-MRVPVSSYSA-N 1 2 259.273 0.059 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)SC)C1 ZINC001325201190 913276790 /nfs/dbraw/zinc/27/67/90/913276790.db2.gz NWMGXEQQCUPGJP-LLVKDONJSA-N 1 2 272.414 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001325217051 913289073 /nfs/dbraw/zinc/28/90/73/913289073.db2.gz KNNWDXWMNVXECF-OLZOCXBDSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2occc2C)C1 ZINC001325273049 913311185 /nfs/dbraw/zinc/31/11/85/913311185.db2.gz HLMAPXUTJDILPI-UHFFFAOYSA-N 1 2 276.336 0.317 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc[nH]c2CCC)C1 ZINC001325266371 913307008 /nfs/dbraw/zinc/30/70/08/913307008.db2.gz ZZBOFDIXVVNEMX-UHFFFAOYSA-N 1 2 289.379 0.767 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001325273141 913312889 /nfs/dbraw/zinc/31/28/89/913312889.db2.gz KQEULQHFAURTQQ-JSGCOSHPSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2(O)C[NH+](CCC[C@@H](C)O)C2)C1 ZINC001325275311 913317045 /nfs/dbraw/zinc/31/70/45/913317045.db2.gz YDQJBPFRXDMIEX-CYBMUJFWSA-N 1 2 296.411 0.667 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ocnc1C ZINC001394830284 913454848 /nfs/dbraw/zinc/45/48/48/913454848.db2.gz RQUKIRLKVPHJPB-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ocnc1C ZINC001394830284 913454854 /nfs/dbraw/zinc/45/48/54/913454854.db2.gz RQUKIRLKVPHJPB-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001325587883 913477990 /nfs/dbraw/zinc/47/79/90/913477990.db2.gz WOIZOZWKEVBOLY-UHFFFAOYSA-N 1 2 292.383 0.301 20 30 CCEDLO C=CCCC[NH+]1CC(CCO)(NC(=O)c2cnns2)C1 ZINC001282510301 891457785 /nfs/dbraw/zinc/45/77/85/891457785.db2.gz RWHOIMOUPNVTOZ-UHFFFAOYSA-N 1 2 296.396 0.671 20 30 CCEDLO C[C@H]1CC[C@@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001480901014 891720354 /nfs/dbraw/zinc/72/03/54/891720354.db2.gz HVGTUFPKVRMVPA-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H]1CC[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480901014 891720368 /nfs/dbraw/zinc/72/03/68/891720368.db2.gz HVGTUFPKVRMVPA-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001408600116 891894922 /nfs/dbraw/zinc/89/49/22/891894922.db2.gz QJNAUHNCHWCORH-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001408600116 891894940 /nfs/dbraw/zinc/89/49/40/891894940.db2.gz QJNAUHNCHWCORH-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001481037856 892101571 /nfs/dbraw/zinc/10/15/71/892101571.db2.gz MHCJOSUNCUDXPQ-CYBMUJFWSA-N 1 2 289.383 0.555 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001481037856 892101576 /nfs/dbraw/zinc/10/15/76/892101576.db2.gz MHCJOSUNCUDXPQ-CYBMUJFWSA-N 1 2 289.383 0.555 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cn[nH]c2)C1 ZINC001481545817 892796265 /nfs/dbraw/zinc/79/62/65/892796265.db2.gz GYBSHTYBCBPMIN-UHFFFAOYSA-N 1 2 250.302 0.026 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](CCOCC)C1 ZINC001481556580 892823738 /nfs/dbraw/zinc/82/37/38/892823738.db2.gz WXGPZQQOTCEWTQ-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001481645267 892958329 /nfs/dbraw/zinc/95/83/29/892958329.db2.gz IUKROPHXDDKWKF-UHFFFAOYSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001481703363 893047420 /nfs/dbraw/zinc/04/74/20/893047420.db2.gz GOYWRPSKSPCYFR-GXTWGEPZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001481703363 893047437 /nfs/dbraw/zinc/04/74/37/893047437.db2.gz GOYWRPSKSPCYFR-GXTWGEPZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCCCOC)C1 ZINC001481707924 893054237 /nfs/dbraw/zinc/05/42/37/893054237.db2.gz KOAHBLAMECXFKP-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCCCOC)C1 ZINC001481707924 893054258 /nfs/dbraw/zinc/05/42/58/893054258.db2.gz KOAHBLAMECXFKP-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO CC[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)NCC#N ZINC001481814050 893179901 /nfs/dbraw/zinc/17/99/01/893179901.db2.gz PZSWNLAZSIIPME-GFCCVEGCSA-N 1 2 289.383 0.770 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001269787251 893644299 /nfs/dbraw/zinc/64/42/99/893644299.db2.gz GXEAPYDGGORQNV-LBPRGKRZSA-N 1 2 252.358 0.823 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C1C[NH+](CCOCC)C1 ZINC001269787870 893645017 /nfs/dbraw/zinc/64/50/17/893645017.db2.gz WZKHQKZYNSUSAO-LBPRGKRZSA-N 1 2 268.357 0.204 20 30 CCEDLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CNCC#N ZINC001482499905 894161832 /nfs/dbraw/zinc/16/18/32/894161832.db2.gz RMFVRANCXNPAQW-NEPJUHHUSA-N 1 2 275.356 0.692 20 30 CCEDLO C=C1CC(C)(C(=O)NC/C=C\C[NH2+]Cc2nnnn2C)C1 ZINC001483058248 894859272 /nfs/dbraw/zinc/85/92/72/894859272.db2.gz TUUSBAYMIKPRCJ-PLNGDYQASA-N 1 2 290.371 0.328 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001483121083 894954869 /nfs/dbraw/zinc/95/48/69/894954869.db2.gz LNQWOCQHJMUALP-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001483632298 895753501 /nfs/dbraw/zinc/75/35/01/895753501.db2.gz MAKUGOPOOKGDDJ-QWHCGFSZSA-N 1 2 268.357 0.252 20 30 CCEDLO CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001483632298 895753514 /nfs/dbraw/zinc/75/35/14/895753514.db2.gz MAKUGOPOOKGDDJ-QWHCGFSZSA-N 1 2 268.357 0.252 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631541 895754319 /nfs/dbraw/zinc/75/43/19/895754319.db2.gz UCFNDRWGSPTIQA-KGLIPLIRSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631541 895754337 /nfs/dbraw/zinc/75/43/37/895754337.db2.gz UCFNDRWGSPTIQA-KGLIPLIRSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001483639508 895773638 /nfs/dbraw/zinc/77/36/38/895773638.db2.gz IROLZSMSOARBJH-PWSUYJOCSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001483639508 895773648 /nfs/dbraw/zinc/77/36/48/895773648.db2.gz IROLZSMSOARBJH-PWSUYJOCSA-N 1 2 261.329 0.270 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001483641748 895781925 /nfs/dbraw/zinc/78/19/25/895781925.db2.gz PSLFVBUIHYKAHF-NSHDSACASA-N 1 2 263.345 0.504 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001483641748 895781942 /nfs/dbraw/zinc/78/19/42/895781942.db2.gz PSLFVBUIHYKAHF-NSHDSACASA-N 1 2 263.345 0.504 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCCNC2=O)C1 ZINC001483678810 895839636 /nfs/dbraw/zinc/83/96/36/895839636.db2.gz CHTYIUCBRHASBY-CHWSQXEVSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCCNC2=O)C1 ZINC001483678810 895839645 /nfs/dbraw/zinc/83/96/45/895839645.db2.gz CHTYIUCBRHASBY-CHWSQXEVSA-N 1 2 291.395 0.812 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001483704378 895882833 /nfs/dbraw/zinc/88/28/33/895882833.db2.gz BDXVAZIMUXDHDY-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001483704378 895882853 /nfs/dbraw/zinc/88/28/53/895882853.db2.gz BDXVAZIMUXDHDY-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO Cc1nnc(C[NH2+]C2(CNC(=O)CSCC#N)CC2)[nH]1 ZINC001483717218 895904183 /nfs/dbraw/zinc/90/41/83/895904183.db2.gz YMRGEWHLOBKQGH-UHFFFAOYSA-N 1 2 294.384 0.108 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001483869732 896095747 /nfs/dbraw/zinc/09/57/47/896095747.db2.gz GAWFUSSUVRZTAO-QWHCGFSZSA-N 1 2 282.384 0.757 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484054302 896177016 /nfs/dbraw/zinc/17/70/16/896177016.db2.gz NPEJATYUIFTVSH-SMDDNHRTSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484054302 896177025 /nfs/dbraw/zinc/17/70/25/896177025.db2.gz NPEJATYUIFTVSH-SMDDNHRTSA-N 1 2 283.347 0.065 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001484262033 896289642 /nfs/dbraw/zinc/28/96/42/896289642.db2.gz IMCSNCKJPOBCRN-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001484583543 896476729 /nfs/dbraw/zinc/47/67/29/896476729.db2.gz CESFDPPMYJQCSW-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001484583543 896476732 /nfs/dbraw/zinc/47/67/32/896476732.db2.gz CESFDPPMYJQCSW-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001484583542 896476801 /nfs/dbraw/zinc/47/68/01/896476801.db2.gz CESFDPPMYJQCSW-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001484583542 896476802 /nfs/dbraw/zinc/47/68/02/896476802.db2.gz CESFDPPMYJQCSW-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001484605156 896495076 /nfs/dbraw/zinc/49/50/76/896495076.db2.gz YQSWQOCZTIEDDH-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001484605156 896495083 /nfs/dbraw/zinc/49/50/83/896495083.db2.gz YQSWQOCZTIEDDH-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 ZINC001485552310 897115845 /nfs/dbraw/zinc/11/58/45/897115845.db2.gz AFUGZKMCAKMYNM-IUODEOHRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 ZINC001485552310 897115854 /nfs/dbraw/zinc/11/58/54/897115854.db2.gz AFUGZKMCAKMYNM-IUODEOHRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)nc2C)C1 ZINC001107824415 897327896 /nfs/dbraw/zinc/32/78/96/897327896.db2.gz WKECVEQLYYXIBG-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)nc2C)C1 ZINC001107824415 897327915 /nfs/dbraw/zinc/32/79/15/897327915.db2.gz WKECVEQLYYXIBG-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107834134 897332961 /nfs/dbraw/zinc/33/29/61/897332961.db2.gz VYIQDWIPAFDGLQ-ZFWWWQNUSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107834134 897332972 /nfs/dbraw/zinc/33/29/72/897332972.db2.gz VYIQDWIPAFDGLQ-ZFWWWQNUSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nnn(C)c2C)C1 ZINC001107837989 897337744 /nfs/dbraw/zinc/33/77/44/897337744.db2.gz QWDYNQWHRGHROW-AWEZNQCLSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nnn(C)c2C)C1 ZINC001107837989 897337757 /nfs/dbraw/zinc/33/77/57/897337757.db2.gz QWDYNQWHRGHROW-AWEZNQCLSA-N 1 2 293.371 0.130 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(O)CC1 ZINC001032380074 897369667 /nfs/dbraw/zinc/36/96/67/897369667.db2.gz QKRYYPBAERPMCM-GQKFXUNGSA-N 1 2 276.380 0.846 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(O)CC1 ZINC001032380074 897369683 /nfs/dbraw/zinc/36/96/83/897369683.db2.gz QKRYYPBAERPMCM-GQKFXUNGSA-N 1 2 276.380 0.846 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1C ZINC001032406303 897468444 /nfs/dbraw/zinc/46/84/44/897468444.db2.gz MBDZAMBARGCXLY-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1C ZINC001032406303 897468448 /nfs/dbraw/zinc/46/84/48/897468448.db2.gz MBDZAMBARGCXLY-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccnn1C ZINC001032409194 897481881 /nfs/dbraw/zinc/48/18/81/897481881.db2.gz FOSNKJAXYUAQLY-AGIUHOORSA-N 1 2 272.352 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccnn1C ZINC001032409194 897481885 /nfs/dbraw/zinc/48/18/85/897481885.db2.gz FOSNKJAXYUAQLY-AGIUHOORSA-N 1 2 272.352 0.442 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001107918191 897496480 /nfs/dbraw/zinc/49/64/80/897496480.db2.gz GQDGCEJMRFTMMV-AWEZNQCLSA-N 1 2 294.355 0.314 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001107918191 897496490 /nfs/dbraw/zinc/49/64/90/897496490.db2.gz GQDGCEJMRFTMMV-AWEZNQCLSA-N 1 2 294.355 0.314 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107923115 897500093 /nfs/dbraw/zinc/50/00/93/897500093.db2.gz BTFDZKUFWXFTLV-WCQYABFASA-N 1 2 286.322 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107923115 897500104 /nfs/dbraw/zinc/50/01/04/897500104.db2.gz BTFDZKUFWXFTLV-WCQYABFASA-N 1 2 286.322 0.872 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]cc2C)C1 ZINC001107936953 897519224 /nfs/dbraw/zinc/51/92/24/897519224.db2.gz NRSBUOOQYAJVNG-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]cc2C)C1 ZINC001107936953 897519238 /nfs/dbraw/zinc/51/92/38/897519238.db2.gz NRSBUOOQYAJVNG-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001032432977 897559200 /nfs/dbraw/zinc/55/92/00/897559200.db2.gz ITIWFULDBPSNCI-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001032432977 897559208 /nfs/dbraw/zinc/55/92/08/897559208.db2.gz ITIWFULDBPSNCI-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CC[S@@](C)=O)CC1 ZINC001326793578 914176126 /nfs/dbraw/zinc/17/61/26/914176126.db2.gz SBZCBQUQLNGYLL-QGZVFWFLSA-N 1 2 258.343 0.144 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107956777 897604455 /nfs/dbraw/zinc/60/44/55/897604455.db2.gz PPTTVXRMLGKKJH-QEJZJMRPSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107956777 897604462 /nfs/dbraw/zinc/60/44/62/897604462.db2.gz PPTTVXRMLGKKJH-QEJZJMRPSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001032507406 897667857 /nfs/dbraw/zinc/66/78/57/897667857.db2.gz ZXETZWXBQXYALD-AGIUHOORSA-N 1 2 298.408 0.282 20 30 CCEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001032507406 897667868 /nfs/dbraw/zinc/66/78/68/897667868.db2.gz ZXETZWXBQXYALD-AGIUHOORSA-N 1 2 298.408 0.282 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001032541763 897726101 /nfs/dbraw/zinc/72/61/01/897726101.db2.gz FMBXFCOZBAYUDE-IHRRRGAJSA-N 1 2 288.351 0.026 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001032541763 897726112 /nfs/dbraw/zinc/72/61/12/897726112.db2.gz FMBXFCOZBAYUDE-IHRRRGAJSA-N 1 2 288.351 0.026 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001032727458 898022583 /nfs/dbraw/zinc/02/25/83/898022583.db2.gz OTXLUAGQKQOBKQ-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001032727458 898022595 /nfs/dbraw/zinc/02/25/95/898022595.db2.gz OTXLUAGQKQOBKQ-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C ZINC001038078783 898042103 /nfs/dbraw/zinc/04/21/03/898042103.db2.gz UWRBQZFMYRTSBW-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C ZINC001038078783 898042111 /nfs/dbraw/zinc/04/21/11/898042111.db2.gz UWRBQZFMYRTSBW-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012879 898112507 /nfs/dbraw/zinc/11/25/07/898112507.db2.gz GSXDXICSVAXJCP-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012879 898112516 /nfs/dbraw/zinc/11/25/16/898112516.db2.gz GSXDXICSVAXJCP-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2c1 ZINC001032776658 898165777 /nfs/dbraw/zinc/16/57/77/898165777.db2.gz STCISRVZEPVNMR-RYUDHWBXSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2c1 ZINC001032776658 898165787 /nfs/dbraw/zinc/16/57/87/898165787.db2.gz STCISRVZEPVNMR-RYUDHWBXSA-N 1 2 281.319 0.490 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2OC)C1 ZINC001078048204 898203326 /nfs/dbraw/zinc/20/33/26/898203326.db2.gz CZKURLZLLKJJII-GHMZBOCLSA-N 1 2 294.376 0.555 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2OC)C1 ZINC001078048204 898203340 /nfs/dbraw/zinc/20/33/40/898203340.db2.gz CZKURLZLLKJJII-GHMZBOCLSA-N 1 2 294.376 0.555 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001078057543 898210480 /nfs/dbraw/zinc/21/04/80/898210480.db2.gz FFKZVRLCFHRJFF-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001078057543 898210493 /nfs/dbraw/zinc/21/04/93/898210493.db2.gz FFKZVRLCFHRJFF-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001397485069 914232062 /nfs/dbraw/zinc/23/20/62/914232062.db2.gz JVOMHCOXNOGDQF-ZJUUUORDSA-N 1 2 299.334 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078094766 898231280 /nfs/dbraw/zinc/23/12/80/898231280.db2.gz FOYDLDNEMWRTSN-RKDXNWHRSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078094766 898231295 /nfs/dbraw/zinc/23/12/95/898231295.db2.gz FOYDLDNEMWRTSN-RKDXNWHRSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)N1CCCC1=O ZINC001032790511 898235781 /nfs/dbraw/zinc/23/57/81/898235781.db2.gz NIODHLYKRKOYMQ-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)N1CCCC1=O ZINC001032790511 898235795 /nfs/dbraw/zinc/23/57/95/898235795.db2.gz NIODHLYKRKOYMQ-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001078109533 898237772 /nfs/dbraw/zinc/23/77/72/898237772.db2.gz KVNKNAPUFADEAM-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001078109533 898237789 /nfs/dbraw/zinc/23/77/89/898237789.db2.gz KVNKNAPUFADEAM-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001078118701 898253175 /nfs/dbraw/zinc/25/31/75/898253175.db2.gz FXLQMUDHTDWJQH-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001078118701 898253190 /nfs/dbraw/zinc/25/31/90/898253190.db2.gz FXLQMUDHTDWJQH-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCc1cnn[nH]1 ZINC001485923885 898507753 /nfs/dbraw/zinc/50/77/53/898507753.db2.gz OAHKEIMWVAMBDL-JTQLQIEISA-N 1 2 285.779 0.926 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N ZINC001410605369 899493268 /nfs/dbraw/zinc/49/32/68/899493268.db2.gz JADAWUXRBOHZDP-KOLCDFICSA-N 1 2 289.339 0.137 20 30 CCEDLO CC#CC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001179758216 899990345 /nfs/dbraw/zinc/99/03/45/899990345.db2.gz AGUSKTVEEPHUQI-NSHDSACASA-N 1 2 263.297 0.034 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327224531 914426532 /nfs/dbraw/zinc/42/65/32/914426532.db2.gz BXCCPIIVPKFUGS-CYBMUJFWSA-N 1 2 289.383 0.749 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1cnn[nH]1 ZINC001489338951 900470678 /nfs/dbraw/zinc/47/06/78/900470678.db2.gz MYVCURDUHYDOSV-AWEZNQCLSA-N 1 2 289.383 0.683 20 30 CCEDLO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1cnn[nH]1 ZINC001489338951 900470684 /nfs/dbraw/zinc/47/06/84/900470684.db2.gz MYVCURDUHYDOSV-AWEZNQCLSA-N 1 2 289.383 0.683 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001490426711 900627100 /nfs/dbraw/zinc/62/71/00/900627100.db2.gz BOPGOHSBRPKWQD-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001490426711 900627107 /nfs/dbraw/zinc/62/71/07/900627107.db2.gz BOPGOHSBRPKWQD-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490437750 900630113 /nfs/dbraw/zinc/63/01/13/900630113.db2.gz ZFKWTEQVAMPXIF-CNELAYHGSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490437750 900630118 /nfs/dbraw/zinc/63/01/18/900630118.db2.gz ZFKWTEQVAMPXIF-CNELAYHGSA-N 1 2 292.383 0.563 20 30 CCEDLO C#CC[NH2+][C@@H](CNC(=O)c1[nH]ncc1F)C1CC1 ZINC001490706189 900698023 /nfs/dbraw/zinc/69/80/23/900698023.db2.gz VXOLGMPGBUOWOH-JTQLQIEISA-N 1 2 250.277 0.280 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001490774138 900724508 /nfs/dbraw/zinc/72/45/08/900724508.db2.gz GULIXJASPNDHOL-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COCCOC)CCO2 ZINC001327314849 914476675 /nfs/dbraw/zinc/47/66/75/914476675.db2.gz GWCSOLOMURPNKC-UHFFFAOYSA-N 1 2 298.383 0.139 20 30 CCEDLO CCO[C@@H](CC)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323191308 901033256 /nfs/dbraw/zinc/03/32/56/901033256.db2.gz HQQBSOUOYRPLMU-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO CCO[C@@H](CC)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323191308 901033264 /nfs/dbraw/zinc/03/32/64/901033264.db2.gz HQQBSOUOYRPLMU-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)(C)C#N ZINC001412536624 901804132 /nfs/dbraw/zinc/80/41/32/901804132.db2.gz FCLXJHVTZSWQRQ-JTQLQIEISA-N 1 2 277.328 0.123 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)(C)C#N ZINC001412536624 901804144 /nfs/dbraw/zinc/80/41/44/901804144.db2.gz FCLXJHVTZSWQRQ-JTQLQIEISA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327537597 914602595 /nfs/dbraw/zinc/60/25/95/914602595.db2.gz FQHXSFZLXBEGED-QWHCGFSZSA-N 1 2 253.346 0.322 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001398301568 914613909 /nfs/dbraw/zinc/61/39/09/914613909.db2.gz YHZCPWFIWIMJLU-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001398301568 914613918 /nfs/dbraw/zinc/61/39/18/914613918.db2.gz YHZCPWFIWIMJLU-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1nncs1 ZINC001491423295 903568883 /nfs/dbraw/zinc/56/88/83/903568883.db2.gz JSTQDARVWOPJFD-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C=C1CC(C)(C(=O)NCCNC(=O)CCn2cc[nH+]c2)C1 ZINC001491482961 903618224 /nfs/dbraw/zinc/61/82/24/903618224.db2.gz SCKXSJDNOLSQKH-UHFFFAOYSA-N 1 2 290.367 0.862 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001316602402 904116265 /nfs/dbraw/zinc/11/62/65/904116265.db2.gz IAOXICNWLNWAPV-ZIAGYGMSSA-N 1 2 276.380 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001316602402 904116268 /nfs/dbraw/zinc/11/62/68/904116268.db2.gz IAOXICNWLNWAPV-ZIAGYGMSSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001282128279 904417226 /nfs/dbraw/zinc/41/72/26/904417226.db2.gz IPKQIWGKAXSMNN-GHMZBOCLSA-N 1 2 294.355 0.401 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(C)n2C)C1 ZINC001282505146 904496101 /nfs/dbraw/zinc/49/61/01/904496101.db2.gz DFVGHRAAPGVKIF-UHFFFAOYSA-N 1 2 289.379 0.523 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001282509530 904496298 /nfs/dbraw/zinc/49/62/98/904496298.db2.gz HYESGDIIJDEFLU-UHFFFAOYSA-N 1 2 290.367 0.216 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001282506203 904496643 /nfs/dbraw/zinc/49/66/43/904496643.db2.gz VKWZPUGRFHAYAN-CHWSQXEVSA-N 1 2 282.384 0.398 20 30 CCEDLO C#Cc1cncc(C(=O)NC2(CCO)C[NH+](CC)C2)c1 ZINC001282537788 904503881 /nfs/dbraw/zinc/50/38/81/904503881.db2.gz MXTCXYTTWNIOSL-UHFFFAOYSA-N 1 2 273.336 0.249 20 30 CCEDLO C[C@@H](NC(=O)C(C)(C)C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282740140 904534911 /nfs/dbraw/zinc/53/49/11/904534911.db2.gz XPVFHIRUYAFPOS-SNVBAGLBSA-N 1 2 280.372 0.109 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001282745070 904537442 /nfs/dbraw/zinc/53/74/42/904537442.db2.gz TXOYTHYXWGIEEL-ABAIWWIYSA-N 1 2 281.400 0.771 20 30 CCEDLO C#CCCCC(=O)N1CC[C@]2(C1)C[N@H+](CC#C)CCO2 ZINC001282772430 904539916 /nfs/dbraw/zinc/53/99/16/904539916.db2.gz IXSRNFODMVYSRC-MRXNPFEDSA-N 1 2 274.364 0.726 20 30 CCEDLO C#CCCCC(=O)N1CC[C@]2(C1)C[N@@H+](CC#C)CCO2 ZINC001282772430 904539930 /nfs/dbraw/zinc/53/99/30/904539930.db2.gz IXSRNFODMVYSRC-MRXNPFEDSA-N 1 2 274.364 0.726 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001283262545 904787286 /nfs/dbraw/zinc/78/72/86/904787286.db2.gz XDCDRGVYUHRGIT-NSHDSACASA-N 1 2 263.345 0.361 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2ncc[nH]2)CC1 ZINC001377559800 904992752 /nfs/dbraw/zinc/99/27/52/904992752.db2.gz LHYLJFDZZYPZHJ-UHFFFAOYSA-N 1 2 298.774 0.719 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001378005081 905325190 /nfs/dbraw/zinc/32/51/90/905325190.db2.gz LFTWEWBOPCTYQG-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001378005081 905325209 /nfs/dbraw/zinc/32/52/09/905325209.db2.gz LFTWEWBOPCTYQG-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285578162 905677879 /nfs/dbraw/zinc/67/78/79/905677879.db2.gz VYLKSUHYHVZXME-QUCGXOGASA-N 1 2 289.339 0.291 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285578162 905677890 /nfs/dbraw/zinc/67/78/90/905677890.db2.gz VYLKSUHYHVZXME-QUCGXOGASA-N 1 2 289.339 0.291 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001379061417 905961620 /nfs/dbraw/zinc/96/16/20/905961620.db2.gz FXVUVSWGJWJDQD-UHFFFAOYSA-N 1 2 298.774 0.537 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001379061417 905961641 /nfs/dbraw/zinc/96/16/41/905961641.db2.gz FXVUVSWGJWJDQD-UHFFFAOYSA-N 1 2 298.774 0.537 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001295470753 906745061 /nfs/dbraw/zinc/74/50/61/906745061.db2.gz JEZWTHPUUIQEEN-LBPRGKRZSA-N 1 2 290.367 0.387 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001381770581 907387677 /nfs/dbraw/zinc/38/76/77/907387677.db2.gz KZDOBWIYQOZDKT-WDEREUQCSA-N 1 2 275.356 0.516 20 30 CCEDLO O=C(C#CC1CC1)NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001491699329 907510029 /nfs/dbraw/zinc/51/00/29/907510029.db2.gz XGEPKPBPDROGLJ-UHFFFAOYSA-N 1 2 288.351 0.378 20 30 CCEDLO O=C(C#CC1CC1)NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001491699329 907510040 /nfs/dbraw/zinc/51/00/40/907510040.db2.gz XGEPKPBPDROGLJ-UHFFFAOYSA-N 1 2 288.351 0.378 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001492213289 907763226 /nfs/dbraw/zinc/76/32/26/907763226.db2.gz KKDVKJKVXFVKBO-UHFFFAOYSA-N 1 2 250.346 0.934 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001492213289 907763234 /nfs/dbraw/zinc/76/32/34/907763234.db2.gz KKDVKJKVXFVKBO-UHFFFAOYSA-N 1 2 250.346 0.934 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492399050 907898192 /nfs/dbraw/zinc/89/81/92/907898192.db2.gz CIZVMOZDRORAQQ-AWEZNQCLSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492399050 907898212 /nfs/dbraw/zinc/89/82/12/907898212.db2.gz CIZVMOZDRORAQQ-AWEZNQCLSA-N 1 2 269.389 0.725 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001383460207 908001019 /nfs/dbraw/zinc/00/10/19/908001019.db2.gz RSIHTWPHGGRXMT-WHXUTIOJSA-N 1 2 289.339 0.217 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001302975712 908053985 /nfs/dbraw/zinc/05/39/85/908053985.db2.gz IRNVIVIMLNJFHZ-CQSZACIVSA-N 1 2 263.341 0.961 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001337974525 908192780 /nfs/dbraw/zinc/19/27/80/908192780.db2.gz DQGLMJMSUHACRH-RISCZKNCSA-N 1 2 277.372 0.186 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001337974525 908192795 /nfs/dbraw/zinc/19/27/95/908192795.db2.gz DQGLMJMSUHACRH-RISCZKNCSA-N 1 2 277.372 0.186 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001384416977 908226094 /nfs/dbraw/zinc/22/60/94/908226094.db2.gz RWMGPHDNBCPONX-QWRGUYRKSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001317456239 908252058 /nfs/dbraw/zinc/25/20/58/908252058.db2.gz GOBCOCUPZMAOPB-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001317456239 908252068 /nfs/dbraw/zinc/25/20/68/908252068.db2.gz GOBCOCUPZMAOPB-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nncn2C)CC1 ZINC001308094417 908382240 /nfs/dbraw/zinc/38/22/40/908382240.db2.gz ZRBBXRFOSODJAU-GFCCVEGCSA-N 1 2 278.356 0.797 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001316964974 908873479 /nfs/dbraw/zinc/87/34/79/908873479.db2.gz MFPIZGUPDIAUHZ-LSDHHAIUSA-N 1 2 293.411 0.169 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001317172285 909028011 /nfs/dbraw/zinc/02/80/11/909028011.db2.gz BGKNBGCRAUBOHW-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001317172285 909028025 /nfs/dbraw/zinc/02/80/25/909028025.db2.gz BGKNBGCRAUBOHW-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO CN(CC#N)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317452264 909224225 /nfs/dbraw/zinc/22/42/25/909224225.db2.gz YKKWKFCRNLIZOK-LLVKDONJSA-N 1 2 261.329 0.017 20 30 CCEDLO CN(C)c1noc(C[NH2+]CCN(C)C(=O)C#CC2CC2)n1 ZINC001317584927 909382674 /nfs/dbraw/zinc/38/26/74/909382674.db2.gz KGAACDSJFGZTOR-UHFFFAOYSA-N 1 2 291.355 0.097 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001317818506 909507850 /nfs/dbraw/zinc/50/78/50/909507850.db2.gz CPRHUGDEHMAKCN-CABCVRRESA-N 1 2 295.427 0.673 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001317918353 909540151 /nfs/dbraw/zinc/54/01/51/909540151.db2.gz FPUAMCXCYMSCAI-QWHCGFSZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001317918353 909540159 /nfs/dbraw/zinc/54/01/59/909540159.db2.gz FPUAMCXCYMSCAI-QWHCGFSZSA-N 1 2 281.400 0.915 20 30 CCEDLO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001317931767 909543265 /nfs/dbraw/zinc/54/32/65/909543265.db2.gz QMAAENWKDBXBCB-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001317931767 909543273 /nfs/dbraw/zinc/54/32/73/909543273.db2.gz QMAAENWKDBXBCB-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001317931890 909543846 /nfs/dbraw/zinc/54/38/46/909543846.db2.gz UFIVGSIPHOJRHZ-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001317931890 909543850 /nfs/dbraw/zinc/54/38/50/909543850.db2.gz UFIVGSIPHOJRHZ-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001317931224 909545936 /nfs/dbraw/zinc/54/59/36/909545936.db2.gz QVUWNIOEPOQNQX-IUODEOHRSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001317931224 909545944 /nfs/dbraw/zinc/54/59/44/909545944.db2.gz QVUWNIOEPOQNQX-IUODEOHRSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001317969235 909555760 /nfs/dbraw/zinc/55/57/60/909555760.db2.gz QVUWNIOEPOQNQX-SWLSCSKDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001317969235 909555765 /nfs/dbraw/zinc/55/57/65/909555765.db2.gz QVUWNIOEPOQNQX-SWLSCSKDSA-N 1 2 297.399 0.030 20 30 CCEDLO C#CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001318301004 909696939 /nfs/dbraw/zinc/69/69/39/909696939.db2.gz ALCZJCPAWNPUKS-RYUDHWBXSA-N 1 2 295.364 0.093 20 30 CCEDLO CCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318393257 909737446 /nfs/dbraw/zinc/73/74/46/909737446.db2.gz JCUIDWJFGRJXFY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318393257 909737453 /nfs/dbraw/zinc/73/74/53/909737453.db2.gz JCUIDWJFGRJXFY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318400595 909743336 /nfs/dbraw/zinc/74/33/36/909743336.db2.gz SDGIMRLXVGAMPY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318400595 909743354 /nfs/dbraw/zinc/74/33/54/909743354.db2.gz SDGIMRLXVGAMPY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)c1cccc2[nH+]ccn21 ZINC001319213527 910039996 /nfs/dbraw/zinc/03/99/96/910039996.db2.gz HPGNXZVRYTVZBA-NSHDSACASA-N 1 2 271.324 0.813 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001319296621 910083527 /nfs/dbraw/zinc/08/35/27/910083527.db2.gz XKWIEQWCLNAWLZ-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001319296621 910083538 /nfs/dbraw/zinc/08/35/38/910083538.db2.gz XKWIEQWCLNAWLZ-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001319331788 910102763 /nfs/dbraw/zinc/10/27/63/910102763.db2.gz IEKNLOGCRVFBGH-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001319331788 910102792 /nfs/dbraw/zinc/10/27/92/910102792.db2.gz IEKNLOGCRVFBGH-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO CC(C)C(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1 ZINC001319393654 910131953 /nfs/dbraw/zinc/13/19/53/910131953.db2.gz USQIGQJREHFENG-UHFFFAOYSA-N 1 2 292.383 0.207 20 30 CCEDLO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ncn(C)n1 ZINC001320655196 910778668 /nfs/dbraw/zinc/77/86/68/910778668.db2.gz KFIJKDMGXRGTHR-JTQLQIEISA-N 1 2 264.333 0.228 20 30 CCEDLO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ncn(C)n1 ZINC001320655197 910779288 /nfs/dbraw/zinc/77/92/88/910779288.db2.gz KFIJKDMGXRGTHR-SNVBAGLBSA-N 1 2 264.333 0.228 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001321511918 911337020 /nfs/dbraw/zinc/33/70/20/911337020.db2.gz UBFWENJHEAOOOH-LLVKDONJSA-N 1 2 278.356 0.886 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)COC ZINC001323198948 912177477 /nfs/dbraw/zinc/17/74/77/912177477.db2.gz MCSQXYATZVDGNH-OLZOCXBDSA-N 1 2 268.357 0.109 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)COC ZINC001323198948 912177481 /nfs/dbraw/zinc/17/74/81/912177481.db2.gz MCSQXYATZVDGNH-OLZOCXBDSA-N 1 2 268.357 0.109 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001417943063 921725584 /nfs/dbraw/zinc/72/55/84/921725584.db2.gz AMYJQPVDPJWVGS-NEPJUHHUSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001417943063 921725597 /nfs/dbraw/zinc/72/55/97/921725597.db2.gz AMYJQPVDPJWVGS-NEPJUHHUSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001323227622 912203406 /nfs/dbraw/zinc/20/34/06/912203406.db2.gz SJFMOVATNBOELT-LBPRGKRZSA-N 1 2 286.379 0.655 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001323227622 912203421 /nfs/dbraw/zinc/20/34/21/912203421.db2.gz SJFMOVATNBOELT-LBPRGKRZSA-N 1 2 286.379 0.655 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)CC(=O)Nc1ccon1 ZINC001399697687 915332990 /nfs/dbraw/zinc/33/29/90/915332990.db2.gz ZXLJJFKLEGPOGA-JTQLQIEISA-N 1 2 293.327 0.211 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)CC(=O)Nc1ccon1 ZINC001399697687 915333010 /nfs/dbraw/zinc/33/30/10/915333010.db2.gz ZXLJJFKLEGPOGA-JTQLQIEISA-N 1 2 293.327 0.211 20 30 CCEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC001339660201 921787859 /nfs/dbraw/zinc/78/78/59/921787859.db2.gz VBXLEOKAWFHJFL-LBPRGKRZSA-N 1 2 294.384 0.172 20 30 CCEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC001339660201 921787864 /nfs/dbraw/zinc/78/78/64/921787864.db2.gz VBXLEOKAWFHJFL-LBPRGKRZSA-N 1 2 294.384 0.172 20 30 CCEDLO C=CC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OCC ZINC001329408816 915891001 /nfs/dbraw/zinc/89/10/01/915891001.db2.gz CTNRMFIDZGDPGU-IYNGYCSASA-N 1 2 296.367 0.499 20 30 CCEDLO N#Cc1c[nH]nc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329526567 915989642 /nfs/dbraw/zinc/98/96/42/915989642.db2.gz MJADIJWVJMPGQI-MRVPVSSYSA-N 1 2 256.269 0.679 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2(C(F)F)CC2)C1 ZINC001329654742 916102522 /nfs/dbraw/zinc/10/25/22/916102522.db2.gz DNPVNBHFWQJAFL-UHFFFAOYSA-N 1 2 286.322 0.608 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001329705002 916140283 /nfs/dbraw/zinc/14/02/83/916140283.db2.gz ICDOPCKHNZNXMJ-ZIAGYGMSSA-N 1 2 278.396 0.999 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H](C)OC)C1 ZINC001329972733 916325839 /nfs/dbraw/zinc/32/58/39/916325839.db2.gz RINBAHDPDRETCK-RYUDHWBXSA-N 1 2 297.399 0.150 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC001402098276 916808554 /nfs/dbraw/zinc/80/85/54/916808554.db2.gz SWQNUEQQWGWDHB-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO Cn1cnnc1C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001331253465 917220541 /nfs/dbraw/zinc/22/05/41/917220541.db2.gz LENORXIALCDCPI-LLVKDONJSA-N 1 2 263.345 0.692 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001331253465 917220550 /nfs/dbraw/zinc/22/05/50/917220550.db2.gz LENORXIALCDCPI-LLVKDONJSA-N 1 2 263.345 0.692 20 30 CCEDLO C[C@H](CN(C)C(=O)CSCC#N)[NH2+]Cc1csnn1 ZINC001331390133 917297596 /nfs/dbraw/zinc/29/75/96/917297596.db2.gz STFGKSYHAUVNJY-SECBINFHSA-N 1 2 299.425 0.731 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001331683912 917509251 /nfs/dbraw/zinc/50/92/51/917509251.db2.gz MLYXPAFITLLBEB-SNVBAGLBSA-N 1 2 269.370 0.676 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001331787010 917607150 /nfs/dbraw/zinc/60/71/50/917607150.db2.gz GEMKQNPPLGKDLF-BXUZGUMPSA-N 1 2 296.371 0.547 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001332028918 917808125 /nfs/dbraw/zinc/80/81/25/917808125.db2.gz ZIFAIKACLHPRQU-SDDRHHMPSA-N 1 2 289.339 0.196 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001403718083 917958665 /nfs/dbraw/zinc/95/86/65/917958665.db2.gz OFKMXZKRUYYUNJ-UHFFFAOYSA-N 1 2 298.774 0.434 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001403718083 917958683 /nfs/dbraw/zinc/95/86/83/917958683.db2.gz OFKMXZKRUYYUNJ-UHFFFAOYSA-N 1 2 298.774 0.434 20 30 CCEDLO CCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001404046117 918180874 /nfs/dbraw/zinc/18/08/74/918180874.db2.gz VMZAORWXCTXZQO-MNOVXSKESA-N 1 2 291.355 0.730 20 30 CCEDLO CCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001404046117 918180879 /nfs/dbraw/zinc/18/08/79/918180879.db2.gz VMZAORWXCTXZQO-MNOVXSKESA-N 1 2 291.355 0.730 20 30 CCEDLO C=CCC1(C(=O)N[C@H](CO)c2c[nH+]cn2C)CCOCC1 ZINC001333398071 918870271 /nfs/dbraw/zinc/87/02/71/918870271.db2.gz UNTUUUWIDDGPQV-GFCCVEGCSA-N 1 2 293.367 0.943 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001492950391 919182981 /nfs/dbraw/zinc/18/29/81/919182981.db2.gz QFYQVZWQJNBSLJ-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001492950391 919182990 /nfs/dbraw/zinc/18/29/90/919182990.db2.gz QFYQVZWQJNBSLJ-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC001335401791 920174499 /nfs/dbraw/zinc/17/44/99/920174499.db2.gz OYPKJUXGCGXQPC-GMTAPVOTSA-N 1 2 260.297 0.275 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001415720611 920812579 /nfs/dbraw/zinc/81/25/79/920812579.db2.gz NVOCFJAYIYJNML-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001415720611 920812595 /nfs/dbraw/zinc/81/25/95/920812595.db2.gz NVOCFJAYIYJNML-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)[C@@H](C)O)n2C)CC1 ZINC001340040887 921927283 /nfs/dbraw/zinc/92/72/83/921927283.db2.gz OQQZXXKYJJXTMK-CHWSQXEVSA-N 1 2 291.399 0.445 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001418474351 922159067 /nfs/dbraw/zinc/15/90/67/922159067.db2.gz FQZAJXKDJZSWJU-UHFFFAOYSA-N 1 2 285.731 0.793 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001418474351 922159069 /nfs/dbraw/zinc/15/90/69/922159069.db2.gz FQZAJXKDJZSWJU-UHFFFAOYSA-N 1 2 285.731 0.793 20 30 CCEDLO C#CC[NH2+]CC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC001341539592 922541883 /nfs/dbraw/zinc/54/18/83/922541883.db2.gz QRHRNTWBBPEULH-UHFFFAOYSA-N 1 2 299.334 0.319 20 30 CCEDLO C#CC[NH2+]CC(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC001341539592 922541888 /nfs/dbraw/zinc/54/18/88/922541888.db2.gz QRHRNTWBBPEULH-UHFFFAOYSA-N 1 2 299.334 0.319 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001341718286 922642221 /nfs/dbraw/zinc/64/22/21/922642221.db2.gz HGQDRBRMQZIBLQ-QWHCGFSZSA-N 1 2 287.367 0.016 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001341718286 922642227 /nfs/dbraw/zinc/64/22/27/922642227.db2.gz HGQDRBRMQZIBLQ-QWHCGFSZSA-N 1 2 287.367 0.016 20 30 CCEDLO C#CC1CCN(c2nnc([C@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001341720291 922643169 /nfs/dbraw/zinc/64/31/69/922643169.db2.gz SXMZKOFVZPIRSI-QWHCGFSZSA-N 1 2 289.383 0.402 20 30 CCEDLO C#CC1CCN(c2nnc([C@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001341720291 922643179 /nfs/dbraw/zinc/64/31/79/922643179.db2.gz SXMZKOFVZPIRSI-QWHCGFSZSA-N 1 2 289.383 0.402 20 30 CCEDLO C=C(C)Cn1c(CO)nnc1N(C)CC[NH+]1CCOCC1 ZINC001341960765 922740942 /nfs/dbraw/zinc/74/09/42/922740942.db2.gz GFQGYBRIBYVOHI-UHFFFAOYSA-N 1 2 295.387 0.115 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001419534320 922902900 /nfs/dbraw/zinc/90/29/00/922902900.db2.gz DSPSBYBGQIPVJE-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001419534320 922902903 /nfs/dbraw/zinc/90/29/03/922902903.db2.gz DSPSBYBGQIPVJE-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001342711684 923063274 /nfs/dbraw/zinc/06/32/74/923063274.db2.gz DVPJZIRZDJQFEC-MNOVXSKESA-N 1 2 252.318 0.772 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001420038990 923254547 /nfs/dbraw/zinc/25/45/47/923254547.db2.gz TWCALWQDXCGDOH-UHFFFAOYSA-N 1 2 271.752 0.421 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001420038990 923254556 /nfs/dbraw/zinc/25/45/56/923254556.db2.gz TWCALWQDXCGDOH-UHFFFAOYSA-N 1 2 271.752 0.421 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001420558727 923781192 /nfs/dbraw/zinc/78/11/92/923781192.db2.gz IHSKXLIQYYCUDL-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001420558727 923781202 /nfs/dbraw/zinc/78/12/02/923781202.db2.gz IHSKXLIQYYCUDL-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001421238172 924233539 /nfs/dbraw/zinc/23/35/39/924233539.db2.gz ULTHLTQPVGYLPX-UWVGGRQHSA-N 1 2 278.312 0.533 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001421238172 924233549 /nfs/dbraw/zinc/23/35/49/924233549.db2.gz ULTHLTQPVGYLPX-UWVGGRQHSA-N 1 2 278.312 0.533 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001349347512 924937830 /nfs/dbraw/zinc/93/78/30/924937830.db2.gz NEXQLPYWSYHBKI-SNVBAGLBSA-N 1 2 264.354 0.473 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC001349636589 925009392 /nfs/dbraw/zinc/00/93/92/925009392.db2.gz MBXQOCMAANLSOU-JQWIXIFHSA-N 1 2 251.330 0.658 20 30 CCEDLO C=CCCC(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001350712558 925259264 /nfs/dbraw/zinc/25/92/64/925259264.db2.gz QHZVHIRTFBYMLF-ZDUSSCGKSA-N 1 2 290.367 0.909 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CO)n2CC=C)CC1 ZINC001351938848 925496533 /nfs/dbraw/zinc/49/65/33/925496533.db2.gz RRYAJZJDZHYSQL-CYBMUJFWSA-N 1 2 289.383 0.315 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nncs1 ZINC001480460224 925782101 /nfs/dbraw/zinc/78/21/01/925782101.db2.gz UFMKBBPKGKMINH-SECBINFHSA-N 1 2 264.354 0.546 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2c3c(nn2C)CCOC3)nn1 ZINC001354170608 926030069 /nfs/dbraw/zinc/03/00/69/926030069.db2.gz LDPYNAZIOSQGDX-UHFFFAOYSA-N 1 2 288.355 0.560 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001354858070 926175678 /nfs/dbraw/zinc/17/56/78/926175678.db2.gz ILTDAXIAUSILIF-UHFFFAOYSA-N 1 2 262.309 0.707 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001421855043 926946803 /nfs/dbraw/zinc/94/68/03/926946803.db2.gz XYGHHKGEEQJTSD-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO N#CC1(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001362347563 927905112 /nfs/dbraw/zinc/90/51/12/927905112.db2.gz LLWSNTGKEWYMBP-GFCCVEGCSA-N 1 2 291.351 0.576 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)n1 ZINC001424062829 928081449 /nfs/dbraw/zinc/08/14/49/928081449.db2.gz GFNCILVIISBTMM-VHSXEESVSA-N 1 2 295.343 0.009 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001424176408 928117867 /nfs/dbraw/zinc/11/78/67/928117867.db2.gz SJTJVJOAGOYKSW-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001424176408 928117874 /nfs/dbraw/zinc/11/78/74/928117874.db2.gz SJTJVJOAGOYKSW-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](CC#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362547062 928162556 /nfs/dbraw/zinc/16/25/56/928162556.db2.gz ZRYZCSVYCLNWLP-ZYHUDNBSSA-N 1 2 279.340 0.432 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1C#N ZINC001363250352 929027998 /nfs/dbraw/zinc/02/79/98/929027998.db2.gz SPOKDAHWNIRIRZ-SMDDNHRTSA-N 1 2 290.319 0.130 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1C#N ZINC001363250352 929028014 /nfs/dbraw/zinc/02/80/14/929028014.db2.gz SPOKDAHWNIRIRZ-SMDDNHRTSA-N 1 2 290.319 0.130 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444002116 929763824 /nfs/dbraw/zinc/76/38/24/929763824.db2.gz ZSLYTVJQWIQAQC-NXEZZACHSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001443996637 929763978 /nfs/dbraw/zinc/76/39/78/929763978.db2.gz SNGDUNNPVIPAKU-QWRGUYRKSA-N 1 2 291.355 0.085 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001444974186 929989697 /nfs/dbraw/zinc/98/96/97/929989697.db2.gz MMIFPPDIGBMHAI-MNOVXSKESA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001444974186 929989700 /nfs/dbraw/zinc/98/97/00/929989700.db2.gz MMIFPPDIGBMHAI-MNOVXSKESA-N 1 2 288.775 0.938 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)o1 ZINC001445356995 930113048 /nfs/dbraw/zinc/11/30/48/930113048.db2.gz XJYCZUGUGHBIMJ-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)[C@@H](C)C#N ZINC001373307559 930136200 /nfs/dbraw/zinc/13/62/00/930136200.db2.gz IBBPXJNURFOFLF-WDEREUQCSA-N 1 2 291.355 0.133 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001373362336 930153386 /nfs/dbraw/zinc/15/33/86/930153386.db2.gz RPKMBLOIFICYPE-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001373362336 930153391 /nfs/dbraw/zinc/15/33/91/930153391.db2.gz RPKMBLOIFICYPE-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448068689 930805531 /nfs/dbraw/zinc/80/55/31/930805531.db2.gz RNSVOKJCJIWNNB-UWVGGRQHSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448068689 930805541 /nfs/dbraw/zinc/80/55/41/930805541.db2.gz RNSVOKJCJIWNNB-UWVGGRQHSA-N 1 2 288.779 0.199 20 30 CCEDLO CCn1ncnc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001375404291 930878876 /nfs/dbraw/zinc/87/88/76/930878876.db2.gz QGFKGWJGSRUCRZ-JTQLQIEISA-N 1 2 276.344 0.196 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cnon1 ZINC001376710662 931237375 /nfs/dbraw/zinc/23/73/75/931237375.db2.gz JPKOABSRAPDIML-MRVPVSSYSA-N 1 2 274.284 0.177 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377151392 931409292 /nfs/dbraw/zinc/40/92/92/931409292.db2.gz QGMBZIRAFHXBAP-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377151392 931409300 /nfs/dbraw/zinc/40/93/00/931409300.db2.gz QGMBZIRAFHXBAP-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000298795764 260162369 /nfs/dbraw/zinc/16/23/69/260162369.db2.gz HYOKRFCHLWMTEO-UHFFFAOYSA-N 1 2 295.408 0.988 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000298795764 260162371 /nfs/dbraw/zinc/16/23/71/260162371.db2.gz HYOKRFCHLWMTEO-UHFFFAOYSA-N 1 2 295.408 0.988 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599634933 361765442 /nfs/dbraw/zinc/76/54/42/361765442.db2.gz GUDHQZSYDKWNBG-GKQUOAKQSA-N 1 2 257.355 0.699 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599634933 361765447 /nfs/dbraw/zinc/76/54/47/361765447.db2.gz GUDHQZSYDKWNBG-GKQUOAKQSA-N 1 2 257.355 0.699 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccccc1C#N ZINC000600423865 361958355 /nfs/dbraw/zinc/95/83/55/361958355.db2.gz HYWQYMXTMIMSNC-CYBMUJFWSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)COc1ccccc1C#N ZINC000600423865 361958358 /nfs/dbraw/zinc/95/83/58/361958358.db2.gz HYWQYMXTMIMSNC-CYBMUJFWSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000600427562 361959451 /nfs/dbraw/zinc/95/94/51/361959451.db2.gz ZPSNUGUEDKTLMT-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000600427562 361959457 /nfs/dbraw/zinc/95/94/57/361959457.db2.gz ZPSNUGUEDKTLMT-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2ccc(N(C)C)[nH+]c2)c1=O ZINC000600513831 361999965 /nfs/dbraw/zinc/99/99/65/361999965.db2.gz CVHFRTOZNGIVDN-UHFFFAOYSA-N 1 2 299.334 0.411 20 30 CCEDLO N#CCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680727 362033661 /nfs/dbraw/zinc/03/36/61/362033661.db2.gz GJDGGMKENBRGNJ-ZDUSSCGKSA-N 1 2 274.324 0.312 20 30 CCEDLO N#CCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680727 362033666 /nfs/dbraw/zinc/03/36/66/362033666.db2.gz GJDGGMKENBRGNJ-ZDUSSCGKSA-N 1 2 274.324 0.312 20 30 CCEDLO N#Cc1cccnc1-n1cc(CC[NH+]2CCOCC2)nn1 ZINC000600975669 362111380 /nfs/dbraw/zinc/11/13/80/362111380.db2.gz AQVYJYGPYSQYTJ-UHFFFAOYSA-N 1 2 284.323 0.409 20 30 CCEDLO Cc1cc(N[C@H](C)C2N=NC(=O)N2C)c(C#N)c[nH+]1 ZINC000601186858 362169857 /nfs/dbraw/zinc/16/98/57/362169857.db2.gz DJOZTLJWDYIOQQ-MRVPVSSYSA-N 1 2 258.285 0.691 20 30 CCEDLO N#CCCN1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000601262725 362194581 /nfs/dbraw/zinc/19/45/81/362194581.db2.gz VLFWULVVVVGQFX-UHFFFAOYSA-N 1 2 256.313 0.994 20 30 CCEDLO COc1c(C)[nH+]cnc1N1CCN(CCC#N)CC1 ZINC000601261498 362193666 /nfs/dbraw/zinc/19/36/66/362193666.db2.gz GUTHGCKXKDHNMM-UHFFFAOYSA-N 1 2 261.329 0.829 20 30 CCEDLO C[C@H](O)CNc1cc(N2CCN(CCC#N)CC2)nc[nH+]1 ZINC000601262772 362195273 /nfs/dbraw/zinc/19/52/73/362195273.db2.gz YUDLVYCWBKDCRL-LBPRGKRZSA-N 1 2 290.371 0.305 20 30 CCEDLO CC(C)NC(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595594 349859618 /nfs/dbraw/zinc/85/96/18/349859618.db2.gz NHMQJDAWQUILIY-ZDUSSCGKSA-N 1 2 274.324 0.199 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601525925 362300755 /nfs/dbraw/zinc/30/07/55/362300755.db2.gz HLDAQNJHYPTYNK-NSHDSACASA-N 1 2 299.400 0.544 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601528059 362301273 /nfs/dbraw/zinc/30/12/73/362301273.db2.gz ZHYHLQWFEBPQPY-UHFFFAOYSA-N 1 2 299.400 0.688 20 30 CCEDLO N#Cc1c[nH]nc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000601637447 362334313 /nfs/dbraw/zinc/33/43/13/362334313.db2.gz VOTJUTUSYRQVQT-UHFFFAOYSA-N 1 2 270.296 0.995 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000601636606 362334535 /nfs/dbraw/zinc/33/45/35/362334535.db2.gz MLXUSFCIGIHJQH-UHFFFAOYSA-N 1 2 273.340 0.906 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000329000958 530046711 /nfs/dbraw/zinc/04/67/11/530046711.db2.gz GVLJNEWSFSKSQU-MNOVXSKESA-N 1 2 266.345 0.655 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000329000958 530046712 /nfs/dbraw/zinc/04/67/12/530046712.db2.gz GVLJNEWSFSKSQU-MNOVXSKESA-N 1 2 266.345 0.655 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)CO)n1cc[nH+]c1 ZINC000602159814 362534828 /nfs/dbraw/zinc/53/48/28/362534828.db2.gz VQMKMQMOKCGTFP-WDEREUQCSA-N 1 2 250.302 0.471 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(C#N)nc1 ZINC000602331446 362589216 /nfs/dbraw/zinc/58/92/16/362589216.db2.gz DIUZRQQNUORAHP-AWEZNQCLSA-N 1 2 271.324 0.456 20 30 CCEDLO CCOC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)[nH]1 ZINC000602453544 362625009 /nfs/dbraw/zinc/62/50/09/362625009.db2.gz HWUZNGDEHCBKOF-UHFFFAOYSA-N 1 2 276.340 0.833 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000602615075 362714953 /nfs/dbraw/zinc/71/49/53/362714953.db2.gz QKIIAGVEFPVFCP-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000602615075 362714958 /nfs/dbraw/zinc/71/49/58/362714958.db2.gz QKIIAGVEFPVFCP-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)CC1(CC#N)CC1 ZINC000602766615 362790282 /nfs/dbraw/zinc/79/02/82/362790282.db2.gz QBJHYERBQPKSQE-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)CC1(CC#N)CC1 ZINC000602766615 362790284 /nfs/dbraw/zinc/79/02/84/362790284.db2.gz QBJHYERBQPKSQE-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)N1CC#N ZINC000602855396 362842413 /nfs/dbraw/zinc/84/24/13/362842413.db2.gz TXXBSZZXDYJOIK-GEEKYZPCSA-N 1 2 292.427 0.768 20 30 CCEDLO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)N1CC#N ZINC000602855396 362842416 /nfs/dbraw/zinc/84/24/16/362842416.db2.gz TXXBSZZXDYJOIK-GEEKYZPCSA-N 1 2 292.427 0.768 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602862247 362847785 /nfs/dbraw/zinc/84/77/85/362847785.db2.gz JJIXBLFEGBYUHB-SNVBAGLBSA-N 1 2 267.329 0.290 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cncs2)c1C#N ZINC000535505941 290832872 /nfs/dbraw/zinc/83/28/72/290832872.db2.gz YUYAJSQUFLXHFB-UHFFFAOYSA-N 1 2 290.352 0.564 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000311883320 137075822 /nfs/dbraw/zinc/07/58/22/137075822.db2.gz WMOCDEDJMGNQCE-CYBMUJFWSA-N 1 2 263.272 0.119 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000311883320 137075823 /nfs/dbraw/zinc/07/58/23/137075823.db2.gz WMOCDEDJMGNQCE-CYBMUJFWSA-N 1 2 263.272 0.119 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000602867956 362850922 /nfs/dbraw/zinc/85/09/22/362850922.db2.gz GAJYHWVSKTXDDY-JTQLQIEISA-N 1 2 272.308 0.863 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000602935867 362897554 /nfs/dbraw/zinc/89/75/54/362897554.db2.gz ALQOKVCOXZTZLL-UHFFFAOYSA-N 1 2 263.345 0.912 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000602935867 362897559 /nfs/dbraw/zinc/89/75/59/362897559.db2.gz ALQOKVCOXZTZLL-UHFFFAOYSA-N 1 2 263.345 0.912 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000047263247 348372830 /nfs/dbraw/zinc/37/28/30/348372830.db2.gz JWJMGPREAXGYDJ-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000047263247 348372834 /nfs/dbraw/zinc/37/28/34/348372834.db2.gz JWJMGPREAXGYDJ-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977772 362918302 /nfs/dbraw/zinc/91/83/02/362918302.db2.gz HCDBZCMTSMPTPX-WDEREUQCSA-N 1 2 259.375 0.550 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977772 362918305 /nfs/dbraw/zinc/91/83/05/362918305.db2.gz HCDBZCMTSMPTPX-WDEREUQCSA-N 1 2 259.375 0.550 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000049982236 348462656 /nfs/dbraw/zinc/46/26/56/348462656.db2.gz AFPVSMPJIHUAQX-SNVBAGLBSA-N 1 2 252.318 0.480 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000049982236 348462660 /nfs/dbraw/zinc/46/26/60/348462660.db2.gz AFPVSMPJIHUAQX-SNVBAGLBSA-N 1 2 252.318 0.480 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000053811354 348533957 /nfs/dbraw/zinc/53/39/57/348533957.db2.gz IVPCHFSONNQBHD-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053811354 348533959 /nfs/dbraw/zinc/53/39/59/348533959.db2.gz IVPCHFSONNQBHD-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000061798419 348660201 /nfs/dbraw/zinc/66/02/01/348660201.db2.gz XIWCIXCVQJOOCB-UHFFFAOYSA-N 1 2 250.346 0.140 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000067456892 348774526 /nfs/dbraw/zinc/77/45/26/348774526.db2.gz JBWICAMIXAYBMP-UHFFFAOYSA-N 1 2 299.378 0.696 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000066917491 348761284 /nfs/dbraw/zinc/76/12/84/348761284.db2.gz YUTUQRMHFCUQQZ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000076781050 349091915 /nfs/dbraw/zinc/09/19/15/349091915.db2.gz GUOMCISRZYEBCA-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000076781050 349091917 /nfs/dbraw/zinc/09/19/17/349091917.db2.gz GUOMCISRZYEBCA-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CN(CCC#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000078646258 349148648 /nfs/dbraw/zinc/14/86/48/349148648.db2.gz MCJOFXPZMRTMFT-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccccc2F)C1 ZINC000081342631 349259391 /nfs/dbraw/zinc/25/93/91/349259391.db2.gz RHAOQRQJSUJEGM-QWHCGFSZSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccccc2F)C1 ZINC000081342631 349259395 /nfs/dbraw/zinc/25/93/95/349259395.db2.gz RHAOQRQJSUJEGM-QWHCGFSZSA-N 1 2 277.299 0.837 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000085825005 349335984 /nfs/dbraw/zinc/33/59/84/349335984.db2.gz HKEPNBZKWUVHIT-LLVKDONJSA-N 1 2 263.345 0.850 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000085825005 349335986 /nfs/dbraw/zinc/33/59/86/349335986.db2.gz HKEPNBZKWUVHIT-LLVKDONJSA-N 1 2 263.345 0.850 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)o1 ZINC000091773988 180250566 /nfs/dbraw/zinc/25/05/66/180250566.db2.gz KVOKIEVSNBXJQZ-UHFFFAOYSA-N 1 2 265.313 0.688 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)o1 ZINC000091773988 180250569 /nfs/dbraw/zinc/25/05/69/180250569.db2.gz KVOKIEVSNBXJQZ-UHFFFAOYSA-N 1 2 265.313 0.688 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000110490578 186298753 /nfs/dbraw/zinc/29/87/53/186298753.db2.gz BCPOLCMXVDBPEI-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000110490578 186298755 /nfs/dbraw/zinc/29/87/55/186298755.db2.gz BCPOLCMXVDBPEI-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000162463125 350743581 /nfs/dbraw/zinc/74/35/81/350743581.db2.gz HPUOCGAGHDVBKU-LBPRGKRZSA-N 1 2 279.315 0.802 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)C(=O)OCC)nn1 ZINC000603181596 362987094 /nfs/dbraw/zinc/98/70/94/362987094.db2.gz OOALFRURECDSCC-LBPRGKRZSA-N 1 2 264.329 0.905 20 30 CCEDLO CCN(CCC#N)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000603208308 363000904 /nfs/dbraw/zinc/00/09/04/363000904.db2.gz HTCKTUYGAOVIDK-UHFFFAOYSA-N 1 2 287.327 0.285 20 30 CCEDLO N#Cc1cccc(OCCn2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000603210112 363000999 /nfs/dbraw/zinc/00/09/99/363000999.db2.gz UQWFUVYADAOLMP-HNNXBMFYSA-N 1 2 299.334 0.890 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174937274 351111980 /nfs/dbraw/zinc/11/19/80/351111980.db2.gz KCCWEHIINDCVDL-LBPRGKRZSA-N 1 2 277.372 0.233 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603218058 363005253 /nfs/dbraw/zinc/00/52/53/363005253.db2.gz OBFMWEVTIBAWFG-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603218058 363005255 /nfs/dbraw/zinc/00/52/55/363005255.db2.gz OBFMWEVTIBAWFG-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO Cc1ccc(Cn2cc(C[N@H+](C)CCO)nn2)cc1C#N ZINC000603222915 363008073 /nfs/dbraw/zinc/00/80/73/363008073.db2.gz JAZYGHCPCVNZMO-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO Cc1ccc(Cn2cc(C[N@@H+](C)CCO)nn2)cc1C#N ZINC000603222915 363008080 /nfs/dbraw/zinc/00/80/80/363008080.db2.gz JAZYGHCPCVNZMO-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO C[C@]1(O)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002004 351256234 /nfs/dbraw/zinc/25/62/34/351256234.db2.gz JGARESQMBRSACQ-AWEZNQCLSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@]1(O)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002004 351256235 /nfs/dbraw/zinc/25/62/35/351256235.db2.gz JGARESQMBRSACQ-AWEZNQCLSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1c[nH]c(C#N)c1)[NH+]1CCOCC1 ZINC000181284030 351310658 /nfs/dbraw/zinc/31/06/58/351310658.db2.gz XXQBIHODNCSIAD-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(N)=O)CC1 ZINC000186288762 351490233 /nfs/dbraw/zinc/49/02/33/351490233.db2.gz FMCCWBOKYWANSU-LBPRGKRZSA-N 1 2 272.352 0.722 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000193174579 351815151 /nfs/dbraw/zinc/81/51/51/351815151.db2.gz XUUORWFHLYEHGA-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000193170950 351815569 /nfs/dbraw/zinc/81/55/69/351815569.db2.gz KXGKPWYUDYYGLC-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO Cc1nc(NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1C#N ZINC000291775180 198087645 /nfs/dbraw/zinc/08/76/45/198087645.db2.gz CCCYUUGUUSERNH-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1nc(NC[C@@H]2CN(C)CC[N@H+]2C)ccc1C#N ZINC000291775180 198087647 /nfs/dbraw/zinc/08/76/47/198087647.db2.gz CCCYUUGUUSERNH-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000195673443 351920338 /nfs/dbraw/zinc/92/03/38/351920338.db2.gz GEXJXDWVXPZPIH-TZMCWYRMSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000195673443 351920340 /nfs/dbraw/zinc/92/03/40/351920340.db2.gz GEXJXDWVXPZPIH-TZMCWYRMSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccn1 ZINC000194974126 351892085 /nfs/dbraw/zinc/89/20/85/351892085.db2.gz MYNFGSYXIKSSQW-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO Cc1nc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000231803382 352134665 /nfs/dbraw/zinc/13/46/65/352134665.db2.gz FYRSUNWKROOERW-LBPRGKRZSA-N 1 2 288.307 0.779 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000264778626 352596703 /nfs/dbraw/zinc/59/67/03/352596703.db2.gz RLKUXYJYVYGDLW-WAVCKPEOSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000264778626 352596707 /nfs/dbraw/zinc/59/67/07/352596707.db2.gz RLKUXYJYVYGDLW-WAVCKPEOSA-N 1 2 298.390 0.933 20 30 CCEDLO C=CC[N@@H+](CCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000265827925 352666532 /nfs/dbraw/zinc/66/65/32/352666532.db2.gz JXFHPORTVZXRPE-ZDUSSCGKSA-N 1 2 283.397 0.638 20 30 CCEDLO C=CC[N@H+](CCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000265827925 352666536 /nfs/dbraw/zinc/66/65/36/352666536.db2.gz JXFHPORTVZXRPE-ZDUSSCGKSA-N 1 2 283.397 0.638 20 30 CCEDLO CN1CC[N@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000265891111 352669800 /nfs/dbraw/zinc/66/98/00/352669800.db2.gz RHNRWBGCNYSMAE-UHFFFAOYSA-N 1 2 259.309 0.863 20 30 CCEDLO CN1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000265891111 352669802 /nfs/dbraw/zinc/66/98/02/352669802.db2.gz RHNRWBGCNYSMAE-UHFFFAOYSA-N 1 2 259.309 0.863 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266728589 352717516 /nfs/dbraw/zinc/71/75/16/352717516.db2.gz NWHMHCBLDRBAPU-UHFFFAOYSA-N 1 2 253.346 0.361 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC000267423897 352765832 /nfs/dbraw/zinc/76/58/32/352765832.db2.gz SZEZECMCLKOFFI-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC000267423897 352765834 /nfs/dbraw/zinc/76/58/34/352765834.db2.gz SZEZECMCLKOFFI-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO Cn1ncnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241114 198214208 /nfs/dbraw/zinc/21/42/08/198214208.db2.gz QGICTNGUTAHCFR-LBPRGKRZSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1ncnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241114 198214209 /nfs/dbraw/zinc/21/42/09/198214209.db2.gz QGICTNGUTAHCFR-LBPRGKRZSA-N 1 2 284.323 0.735 20 30 CCEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000274264885 353116486 /nfs/dbraw/zinc/11/64/86/353116486.db2.gz ORESWWXTJOFVMF-GFCCVEGCSA-N 1 2 287.323 0.878 20 30 CCEDLO C#CCSCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000152883206 188050685 /nfs/dbraw/zinc/05/06/85/188050685.db2.gz TZNVEYQDIXYUGB-NSHDSACASA-N 1 2 272.439 0.906 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154158868 188126555 /nfs/dbraw/zinc/12/65/55/188126555.db2.gz ZVEVJZHFSIOFOP-UHFFFAOYSA-N 1 2 282.347 0.674 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000280636364 353373210 /nfs/dbraw/zinc/37/32/10/353373210.db2.gz UMGQRTZJPPKGIO-JTQLQIEISA-N 1 2 277.324 0.910 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383799 353419064 /nfs/dbraw/zinc/41/90/64/353419064.db2.gz XDPFEGUITIHDDV-FZMZJTMJSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383799 353419068 /nfs/dbraw/zinc/41/90/68/353419068.db2.gz XDPFEGUITIHDDV-FZMZJTMJSA-N 1 2 273.336 0.754 20 30 CCEDLO C[N@H+](CCOCCO)CC(=O)Nc1sccc1C#N ZINC000282563639 353435091 /nfs/dbraw/zinc/43/50/91/353435091.db2.gz SVHJQVJZIXNASU-UHFFFAOYSA-N 1 2 283.353 0.499 20 30 CCEDLO C[N@@H+](CCOCCO)CC(=O)Nc1sccc1C#N ZINC000282563639 353435094 /nfs/dbraw/zinc/43/50/94/353435094.db2.gz SVHJQVJZIXNASU-UHFFFAOYSA-N 1 2 283.353 0.499 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)ccn1 ZINC000283227358 353492496 /nfs/dbraw/zinc/49/24/96/353492496.db2.gz YRECUDQSFBVDIJ-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO N#Cc1ncn(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000286239579 353571495 /nfs/dbraw/zinc/57/14/95/353571495.db2.gz DESMUERYSCNQGP-UHFFFAOYSA-N 1 2 255.285 0.929 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)o1 ZINC000287154593 353628964 /nfs/dbraw/zinc/62/89/64/353628964.db2.gz BVBRYILODFDNLM-UHFFFAOYSA-N 1 2 299.352 0.152 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)o1 ZINC000287154593 353628967 /nfs/dbraw/zinc/62/89/67/353628967.db2.gz BVBRYILODFDNLM-UHFFFAOYSA-N 1 2 299.352 0.152 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000286783178 353610308 /nfs/dbraw/zinc/61/03/08/353610308.db2.gz XJAJZQGTGIDKKQ-UHFFFAOYSA-N 1 2 283.353 0.866 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000294086719 353867133 /nfs/dbraw/zinc/86/71/33/353867133.db2.gz LNESIEMTQZZXEY-UHFFFAOYSA-N 1 2 285.298 0.115 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000294086719 353867136 /nfs/dbraw/zinc/86/71/36/353867136.db2.gz LNESIEMTQZZXEY-UHFFFAOYSA-N 1 2 285.298 0.115 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2C)CC1 ZINC000295820985 353919981 /nfs/dbraw/zinc/91/99/81/353919981.db2.gz BVQSPOCOMUBFQV-STQMWFEESA-N 1 2 289.383 0.810 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc(C#N)nn1 ZINC000618980570 366135429 /nfs/dbraw/zinc/13/54/29/366135429.db2.gz ACQJCIBEAFKELR-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO C=CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000298289369 353961972 /nfs/dbraw/zinc/96/19/72/353961972.db2.gz DZINTOAPZATWLU-UHFFFAOYSA-N 1 2 276.340 0.903 20 30 CCEDLO Cc1cc(C)c(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000299262623 354003943 /nfs/dbraw/zinc/00/39/43/354003943.db2.gz LQGAJOBTDIYDPL-ZDUSSCGKSA-N 1 2 290.367 0.675 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncnc2C)CC1 ZINC000299303098 354007869 /nfs/dbraw/zinc/00/78/69/354007869.db2.gz HAZCNUBYJSUOKK-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C[C@H]([C@H](C)Nc1nccnc1C#N)[NH+]1CCOCC1 ZINC000301203610 354072182 /nfs/dbraw/zinc/07/21/82/354072182.db2.gz QOQUEKCLXSLOJP-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329101645 354252623 /nfs/dbraw/zinc/25/26/23/354252623.db2.gz NCPOQIXQHIXLPT-NDBYEHHHSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329101645 354252624 /nfs/dbraw/zinc/25/26/24/354252624.db2.gz NCPOQIXQHIXLPT-NDBYEHHHSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000330416279 354349938 /nfs/dbraw/zinc/34/99/38/354349938.db2.gz VCIGJDCQURDJNZ-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000330416279 354349941 /nfs/dbraw/zinc/34/99/41/354349941.db2.gz VCIGJDCQURDJNZ-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330556197 354410493 /nfs/dbraw/zinc/41/04/93/354410493.db2.gz ZJKYDEUNBVTVOR-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330556197 354410494 /nfs/dbraw/zinc/41/04/94/354410494.db2.gz ZJKYDEUNBVTVOR-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000332223660 354631033 /nfs/dbraw/zinc/63/10/33/354631033.db2.gz KBLSQEMIKDGINP-UONOGXRCSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000332223660 354631036 /nfs/dbraw/zinc/63/10/36/354631036.db2.gz KBLSQEMIKDGINP-UONOGXRCSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000332529038 354692438 /nfs/dbraw/zinc/69/24/38/354692438.db2.gz QIORNKYXYAULMH-ZIAGYGMSSA-N 1 2 286.335 0.498 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000332529038 354692439 /nfs/dbraw/zinc/69/24/39/354692439.db2.gz QIORNKYXYAULMH-ZIAGYGMSSA-N 1 2 286.335 0.498 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000558699371 291068772 /nfs/dbraw/zinc/06/87/72/291068772.db2.gz PZNDNMPEFKNURE-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000558699371 291068775 /nfs/dbraw/zinc/06/87/75/291068775.db2.gz PZNDNMPEFKNURE-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO Cc1cc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425230597 235275384 /nfs/dbraw/zinc/27/53/84/235275384.db2.gz RGCBNLJQORFNPH-LLVKDONJSA-N 1 2 294.380 0.767 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000345460881 355831305 /nfs/dbraw/zinc/83/13/05/355831305.db2.gz SHEURQSDFPVXFN-LBPRGKRZSA-N 1 2 298.362 0.744 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000345460881 355831308 /nfs/dbraw/zinc/83/13/08/355831308.db2.gz SHEURQSDFPVXFN-LBPRGKRZSA-N 1 2 298.362 0.744 20 30 CCEDLO Cn1ccnc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1=O ZINC000353802790 356297026 /nfs/dbraw/zinc/29/70/26/356297026.db2.gz JAEBFZMCWIQPAW-UHFFFAOYSA-N 1 2 299.334 0.567 20 30 CCEDLO C[C@@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608783636 363463395 /nfs/dbraw/zinc/46/33/95/363463395.db2.gz LCNFTESOMCALMC-VIFPVBQESA-N 1 2 256.269 0.694 20 30 CCEDLO C=C[C@H]([NH2+]C1CCC(C(=O)NC)CC1)C(=O)OC ZINC000619700534 366325142 /nfs/dbraw/zinc/32/51/42/366325142.db2.gz AUMTYQXUONRXAN-ILDUYXDCSA-N 1 2 254.330 0.608 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000619719906 366339626 /nfs/dbraw/zinc/33/96/26/366339626.db2.gz MDKASGPJUMJHMZ-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](OCCOC)C1 ZINC000619719906 366339633 /nfs/dbraw/zinc/33/96/33/366339633.db2.gz MDKASGPJUMJHMZ-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000619720064 366341210 /nfs/dbraw/zinc/34/12/10/366341210.db2.gz XHWDIZVIHAVLEL-LBPRGKRZSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000619716385 366333464 /nfs/dbraw/zinc/33/34/64/366333464.db2.gz OMMYMTDXLVUEJF-LBPRGKRZSA-N 1 2 268.357 0.951 20 30 CCEDLO N#Cc1cc(F)ccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365269810 357138940 /nfs/dbraw/zinc/13/89/40/357138940.db2.gz UDWWDOJGHYCJKF-UHFFFAOYSA-N 1 2 276.315 0.695 20 30 CCEDLO N#Cc1cc(F)ccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000365269810 357138945 /nfs/dbraw/zinc/13/89/45/357138945.db2.gz UDWWDOJGHYCJKF-UHFFFAOYSA-N 1 2 276.315 0.695 20 30 CCEDLO C=CCOCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368193797 357328418 /nfs/dbraw/zinc/32/84/18/357328418.db2.gz FRROWBPELSACFT-JTQLQIEISA-N 1 2 264.329 0.769 20 30 CCEDLO C=CCOCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368193797 357328419 /nfs/dbraw/zinc/32/84/19/357328419.db2.gz FRROWBPELSACFT-JTQLQIEISA-N 1 2 264.329 0.769 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000294729694 199156115 /nfs/dbraw/zinc/15/61/15/199156115.db2.gz WFVRAOBLUNALET-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000294729694 199156117 /nfs/dbraw/zinc/15/61/17/199156117.db2.gz WFVRAOBLUNALET-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000487358526 358285796 /nfs/dbraw/zinc/28/57/96/358285796.db2.gz AGSJRFPDBQXSOY-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000487358526 358285798 /nfs/dbraw/zinc/28/57/98/358285798.db2.gz AGSJRFPDBQXSOY-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CC[N@@H+]1CCO ZINC000572108012 358927991 /nfs/dbraw/zinc/92/79/91/358927991.db2.gz VJWGWSJTWYYMSY-CJNGLKHVSA-N 1 2 291.395 0.985 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CC[N@H+]1CCO ZINC000572108012 358927995 /nfs/dbraw/zinc/92/79/95/358927995.db2.gz VJWGWSJTWYYMSY-CJNGLKHVSA-N 1 2 291.395 0.985 20 30 CCEDLO CCNS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000572512451 358929006 /nfs/dbraw/zinc/92/90/06/358929006.db2.gz UKUOQVSXKALHKC-UHFFFAOYSA-N 1 2 267.354 0.988 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000587121294 359299814 /nfs/dbraw/zinc/29/98/14/359299814.db2.gz IIUGAYYZXNHJPL-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590153409 359426758 /nfs/dbraw/zinc/42/67/58/359426758.db2.gz ICGNHWMNCYSXDC-NEPJUHHUSA-N 1 2 286.401 0.103 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n[nH]1 ZINC000590167172 359427960 /nfs/dbraw/zinc/42/79/60/359427960.db2.gz ZOSVDWSAUASGTE-QWHCGFSZSA-N 1 2 274.372 0.923 20 30 CCEDLO COCC(=O)NC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589495886 359388438 /nfs/dbraw/zinc/38/84/38/359388438.db2.gz HYMROQZNFFJOQN-UHFFFAOYSA-N 1 2 294.380 0.742 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378391 359447143 /nfs/dbraw/zinc/44/71/43/359447143.db2.gz ISSMNEWDCTWSFD-UHFFFAOYSA-N 1 2 255.281 0.818 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378391 359447146 /nfs/dbraw/zinc/44/71/46/359447146.db2.gz ISSMNEWDCTWSFD-UHFFFAOYSA-N 1 2 255.281 0.818 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590599548 359496047 /nfs/dbraw/zinc/49/60/47/359496047.db2.gz IMTRAGXOTNHWOO-AWEZNQCLSA-N 1 2 275.356 0.822 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000591060400 359551226 /nfs/dbraw/zinc/55/12/26/359551226.db2.gz UMAUWLIABZSPMC-UWVGGRQHSA-N 1 2 273.354 0.552 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000591060400 359551228 /nfs/dbraw/zinc/55/12/28/359551228.db2.gz UMAUWLIABZSPMC-UWVGGRQHSA-N 1 2 273.354 0.552 20 30 CCEDLO CC(C)(C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000591759835 359655008 /nfs/dbraw/zinc/65/50/08/359655008.db2.gz ZFEVCLAYXXZAOA-UHFFFAOYSA-N 1 2 292.364 0.866 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1noc2c1CCCC2 ZINC000591767288 359656425 /nfs/dbraw/zinc/65/64/25/359656425.db2.gz GPSXENOFMFUTOV-GFCCVEGCSA-N 1 2 292.383 0.849 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1noc2c1CCCC2 ZINC000591767288 359656438 /nfs/dbraw/zinc/65/64/38/359656438.db2.gz GPSXENOFMFUTOV-GFCCVEGCSA-N 1 2 292.383 0.849 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148305 359766773 /nfs/dbraw/zinc/76/67/73/359766773.db2.gz UBCOYGFCQBRGIX-DGCLKSJQSA-N 1 2 253.346 0.498 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148305 359766777 /nfs/dbraw/zinc/76/67/77/359766777.db2.gz UBCOYGFCQBRGIX-DGCLKSJQSA-N 1 2 253.346 0.498 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)CCC#N ZINC000611204613 363679973 /nfs/dbraw/zinc/67/99/73/363679973.db2.gz GXZLSQKQBKPMHC-NSHDSACASA-N 1 2 268.361 0.157 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)CCC#N ZINC000611204613 363679979 /nfs/dbraw/zinc/67/99/79/363679979.db2.gz GXZLSQKQBKPMHC-NSHDSACASA-N 1 2 268.361 0.157 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)nc1 ZINC000611253828 363698142 /nfs/dbraw/zinc/69/81/42/363698142.db2.gz HDARDXZBNDMHKH-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000592791205 359936681 /nfs/dbraw/zinc/93/66/81/359936681.db2.gz BLRZGSZFNJTIJD-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000593153632 360048320 /nfs/dbraw/zinc/04/83/20/360048320.db2.gz YHQPMXBMFZWZRK-IAQYHMDHSA-N 1 2 287.367 0.542 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593103097 360039810 /nfs/dbraw/zinc/03/98/10/360039810.db2.gz ABRCFURPFSNWFF-CMPLNLGQSA-N 1 2 250.302 0.879 20 30 CCEDLO C[C@@H](CCO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593107774 360041012 /nfs/dbraw/zinc/04/10/12/360041012.db2.gz IQQQBAAEZKSQDR-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO C[C@@H](CCO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593107774 360041014 /nfs/dbraw/zinc/04/10/14/360041014.db2.gz IQQQBAAEZKSQDR-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000594009410 360233545 /nfs/dbraw/zinc/23/35/45/360233545.db2.gz KWCKIZYWDGEZGL-GHMZBOCLSA-N 1 2 280.372 0.394 20 30 CCEDLO NC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177048854 189024182 /nfs/dbraw/zinc/02/41/82/189024182.db2.gz WYARNSUBKFUCOC-UHFFFAOYSA-N 1 2 291.782 0.794 20 30 CCEDLO C=C[C@H](NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556294 360330616 /nfs/dbraw/zinc/33/06/16/360330616.db2.gz MQNBDDMJRSFVSL-NDBYEHHHSA-N 1 2 270.373 0.801 20 30 CCEDLO C=C[C@H](NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556294 360330621 /nfs/dbraw/zinc/33/06/21/360330621.db2.gz MQNBDDMJRSFVSL-NDBYEHHHSA-N 1 2 270.373 0.801 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661135 360356991 /nfs/dbraw/zinc/35/69/91/360356991.db2.gz VUTNCOYMNYSHAN-RYUDHWBXSA-N 1 2 299.334 0.734 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661135 360356994 /nfs/dbraw/zinc/35/69/94/360356994.db2.gz VUTNCOYMNYSHAN-RYUDHWBXSA-N 1 2 299.334 0.734 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000595301443 360488135 /nfs/dbraw/zinc/48/81/35/360488135.db2.gz LEFFWSQNGSVNQO-GHMZBOCLSA-N 1 2 267.329 0.242 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000595301443 360488140 /nfs/dbraw/zinc/48/81/40/360488140.db2.gz LEFFWSQNGSVNQO-GHMZBOCLSA-N 1 2 267.329 0.242 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH]cc[nH+]1 ZINC000595398718 360518440 /nfs/dbraw/zinc/51/84/40/360518440.db2.gz AGNTUDOLQOSQSG-SNVBAGLBSA-N 1 2 261.329 0.792 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595459204 360540614 /nfs/dbraw/zinc/54/06/14/360540614.db2.gz WQYLLFZBHJYRIQ-ZIAGYGMSSA-N 1 2 274.320 0.709 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595459204 360540616 /nfs/dbraw/zinc/54/06/16/360540616.db2.gz WQYLLFZBHJYRIQ-ZIAGYGMSSA-N 1 2 274.320 0.709 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000595614993 360597542 /nfs/dbraw/zinc/59/75/42/360597542.db2.gz NSQICVYOYSDWHX-ZDUSSCGKSA-N 1 2 292.383 0.351 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000595614993 360597549 /nfs/dbraw/zinc/59/75/49/360597549.db2.gz NSQICVYOYSDWHX-ZDUSSCGKSA-N 1 2 292.383 0.351 20 30 CCEDLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615248 360598314 /nfs/dbraw/zinc/59/83/14/360598314.db2.gz LJDIZPOFMOLFQY-SNVBAGLBSA-N 1 2 275.360 0.476 20 30 CCEDLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615248 360598318 /nfs/dbraw/zinc/59/83/18/360598318.db2.gz LJDIZPOFMOLFQY-SNVBAGLBSA-N 1 2 275.360 0.476 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nccnc2C1 ZINC000595862531 360682473 /nfs/dbraw/zinc/68/24/73/360682473.db2.gz FIZWTXJICKFKDW-LLVKDONJSA-N 1 2 273.340 0.595 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nccnc2C1 ZINC000595862531 360682479 /nfs/dbraw/zinc/68/24/79/360682479.db2.gz FIZWTXJICKFKDW-LLVKDONJSA-N 1 2 273.340 0.595 20 30 CCEDLO CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C#N ZINC000595817068 360666693 /nfs/dbraw/zinc/66/66/93/360666693.db2.gz GBQZCFFQUFNYLB-QMMMGPOBSA-N 1 2 294.277 0.999 20 30 CCEDLO CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C#N ZINC000595817068 360666694 /nfs/dbraw/zinc/66/66/94/360666694.db2.gz GBQZCFFQUFNYLB-QMMMGPOBSA-N 1 2 294.277 0.999 20 30 CCEDLO C=CCC(CC=C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178602617 189130317 /nfs/dbraw/zinc/13/03/17/189130317.db2.gz ZHEVTCLWZUJYKN-AWEZNQCLSA-N 1 2 263.385 0.871 20 30 CCEDLO C[C@@H](Nc1cc(C#N)cnn1)[C@@H](C)[NH+]1CCOCC1 ZINC000596113957 360798256 /nfs/dbraw/zinc/79/82/56/360798256.db2.gz FSWKGGOQFSFCOW-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO CC(C)(CNc1cc(C#N)cnn1)[NH+]1CCOCC1 ZINC000596053080 360782271 /nfs/dbraw/zinc/78/22/71/360782271.db2.gz AOMLZBLWJNZKHC-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)CC#N ZINC000597167816 361021798 /nfs/dbraw/zinc/02/17/98/361021798.db2.gz ZRPYXEKWUNVECX-NWDGAFQWSA-N 1 2 252.362 0.288 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000597233890 361038004 /nfs/dbraw/zinc/03/80/04/361038004.db2.gz BYRXPLCCAMAPEN-VXGBXAGGSA-N 1 2 252.362 0.288 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597380745 361078412 /nfs/dbraw/zinc/07/84/12/361078412.db2.gz XZGJRRXJYBXGAB-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597382793 361079461 /nfs/dbraw/zinc/07/94/61/361079461.db2.gz VKHRCYQZFKZKGS-GWCFXTLKSA-N 1 2 262.313 0.490 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597706941 361203411 /nfs/dbraw/zinc/20/34/11/361203411.db2.gz KVGGEEPYKPHFJY-CYBMUJFWSA-N 1 2 288.351 0.823 20 30 CCEDLO CC(C)(C(=O)N1CC(CC#N)C1)[NH+]1CCOCC1 ZINC000598023334 361316722 /nfs/dbraw/zinc/31/67/22/361316722.db2.gz TUSGMCFZQMWYBI-UHFFFAOYSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)CC(C)(C)C#N ZINC000598623306 361465064 /nfs/dbraw/zinc/46/50/64/361465064.db2.gz VZQAZZHMTHIRMZ-MRVPVSSYSA-N 1 2 254.290 0.508 20 30 CCEDLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)CC(C)(C)C#N ZINC000598623306 361465066 /nfs/dbraw/zinc/46/50/66/361465066.db2.gz VZQAZZHMTHIRMZ-MRVPVSSYSA-N 1 2 254.290 0.508 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1C#N ZINC000598653012 361474138 /nfs/dbraw/zinc/47/41/38/361474138.db2.gz PSYBAFYGMQPOAL-URLYPYJESA-N 1 2 287.367 0.840 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC000598700815 361489863 /nfs/dbraw/zinc/48/98/63/361489863.db2.gz FYHUAMNLUJNNIZ-CYBMUJFWSA-N 1 2 279.384 0.888 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598950554 361539521 /nfs/dbraw/zinc/53/95/21/361539521.db2.gz RNDGQYCQCOKBHJ-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1nc2c(cc1C#N)COCC2 ZINC000599161590 361592493 /nfs/dbraw/zinc/59/24/93/361592493.db2.gz TYXMTQDAEJUAKQ-CYBMUJFWSA-N 1 2 288.351 0.190 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1nc2c(cc1C#N)COCC2 ZINC000599161590 361592498 /nfs/dbraw/zinc/59/24/98/361592498.db2.gz TYXMTQDAEJUAKQ-CYBMUJFWSA-N 1 2 288.351 0.190 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C12CC(C1)C2 ZINC000599230246 361616675 /nfs/dbraw/zinc/61/66/75/361616675.db2.gz NWRAYECABZNVNY-UHFFFAOYSA-N 1 2 277.368 0.861 20 30 CCEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000599335705 361657889 /nfs/dbraw/zinc/65/78/89/361657889.db2.gz AUIMQUMZFUPQIV-KBPBESRZSA-N 1 2 297.399 0.466 20 30 CCEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)nn1 ZINC000302006913 201294689 /nfs/dbraw/zinc/29/46/89/201294689.db2.gz UKQGGFLZVOBCQT-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166887 363858865 /nfs/dbraw/zinc/85/88/65/363858865.db2.gz XXARLPKMLSBQDO-IINYFYTJSA-N 1 2 278.356 0.989 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166887 363858867 /nfs/dbraw/zinc/85/88/67/363858867.db2.gz XXARLPKMLSBQDO-IINYFYTJSA-N 1 2 278.356 0.989 20 30 CCEDLO COC(=O)c1cn([C@@H]2CC[N@H+](CC3(C#N)CC3)C2)nn1 ZINC000612827202 364018145 /nfs/dbraw/zinc/01/81/45/364018145.db2.gz ZLRYMUZDUQRYQX-SNVBAGLBSA-N 1 2 275.312 0.615 20 30 CCEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)nn1 ZINC000612827202 364018148 /nfs/dbraw/zinc/01/81/48/364018148.db2.gz ZLRYMUZDUQRYQX-SNVBAGLBSA-N 1 2 275.312 0.615 20 30 CCEDLO C[NH+](C)CCn1ccc(=NC(=O)c2cc(O)cc(C#N)c2)[nH]1 ZINC000614366178 364586215 /nfs/dbraw/zinc/58/62/15/364586215.db2.gz DOULESVPOHEGPW-UHFFFAOYSA-N 1 2 299.334 0.696 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000614401326 364594663 /nfs/dbraw/zinc/59/46/63/364594663.db2.gz CHTVPUGIWYIAFW-CYBMUJFWSA-N 1 2 261.325 0.586 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614662387 364696572 /nfs/dbraw/zinc/69/65/72/364696572.db2.gz BDBKXMRRARIPJL-LBPRGKRZSA-N 1 2 294.355 0.600 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614662387 364696573 /nfs/dbraw/zinc/69/65/73/364696573.db2.gz BDBKXMRRARIPJL-LBPRGKRZSA-N 1 2 294.355 0.600 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615768994 365083834 /nfs/dbraw/zinc/08/38/34/365083834.db2.gz HRJJCGZTALYKDM-GXFFZTMASA-N 1 2 262.313 0.490 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nn1 ZINC000616921048 365468712 /nfs/dbraw/zinc/46/87/12/365468712.db2.gz DCARLJVXLIYJQP-UHFFFAOYSA-N 1 2 260.301 0.850 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nn1 ZINC000616921048 365468720 /nfs/dbraw/zinc/46/87/20/365468720.db2.gz DCARLJVXLIYJQP-UHFFFAOYSA-N 1 2 260.301 0.850 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623292498 367515980 /nfs/dbraw/zinc/51/59/80/367515980.db2.gz QAQKMUAISRLXIF-GFCCVEGCSA-N 1 2 273.340 0.034 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623292498 367515985 /nfs/dbraw/zinc/51/59/85/367515985.db2.gz QAQKMUAISRLXIF-GFCCVEGCSA-N 1 2 273.340 0.034 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295854 367519719 /nfs/dbraw/zinc/51/97/19/367519719.db2.gz VMCVBNVEOXXTEM-UHFFFAOYSA-N 1 2 287.367 0.448 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295854 367519722 /nfs/dbraw/zinc/51/97/22/367519722.db2.gz VMCVBNVEOXXTEM-UHFFFAOYSA-N 1 2 287.367 0.448 20 30 CCEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1COC[C@H]1O ZINC000330596245 203016944 /nfs/dbraw/zinc/01/69/44/203016944.db2.gz CBFLZWODUTVYNB-VXGBXAGGSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1COC[C@H]1O ZINC000330596245 203016947 /nfs/dbraw/zinc/01/69/47/203016947.db2.gz CBFLZWODUTVYNB-VXGBXAGGSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1COC[C@H]1O ZINC000330613403 203038478 /nfs/dbraw/zinc/03/84/78/203038478.db2.gz RZIVZQDZJCDMIM-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1COC[C@H]1O ZINC000330613403 203038482 /nfs/dbraw/zinc/03/84/82/203038482.db2.gz RZIVZQDZJCDMIM-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO Cc1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000330618143 203044081 /nfs/dbraw/zinc/04/40/81/203044081.db2.gz GZCPYIFCMBNUAZ-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000330618143 203044083 /nfs/dbraw/zinc/04/40/83/203044083.db2.gz GZCPYIFCMBNUAZ-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1onc(CC(=O)N(C)CC[NH+]2CCOCC2)c1C#N ZINC000330749708 203188184 /nfs/dbraw/zinc/18/81/84/203188184.db2.gz HLUBOAOWUYMDOD-UHFFFAOYSA-N 1 2 292.339 0.188 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000330768618 203210665 /nfs/dbraw/zinc/21/06/65/203210665.db2.gz SPTIMQZTVIKPPC-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000330768618 203210668 /nfs/dbraw/zinc/21/06/68/203210668.db2.gz SPTIMQZTVIKPPC-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO Cn1nnnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330761587 203200919 /nfs/dbraw/zinc/20/09/19/203200919.db2.gz NBMJZHYLJVXEPB-UHFFFAOYSA-N 1 2 297.366 0.400 20 30 CCEDLO C=CCCCCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632535836 371126651 /nfs/dbraw/zinc/12/66/51/371126651.db2.gz CMOCWPYVPXVFBW-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632535836 371126659 /nfs/dbraw/zinc/12/66/59/371126659.db2.gz CMOCWPYVPXVFBW-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2ccc(CO)cc2)nn1 ZINC000656441105 412795385 /nfs/dbraw/zinc/79/53/85/412795385.db2.gz SSTKHZSSZIGPQB-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C=C(CC)Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000656452202 412801819 /nfs/dbraw/zinc/80/18/19/412801819.db2.gz BPWAQJLDRFQARE-NSHDSACASA-N 1 2 284.385 0.521 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000637444719 374169780 /nfs/dbraw/zinc/16/97/80/374169780.db2.gz UWSJKFDVXYXSLY-LBPRGKRZSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000637444719 374169786 /nfs/dbraw/zinc/16/97/86/374169786.db2.gz UWSJKFDVXYXSLY-LBPRGKRZSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CC(C)(C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000638454552 375058578 /nfs/dbraw/zinc/05/85/78/375058578.db2.gz IRUGMZGVYUBORS-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC)CC)nn1 ZINC000640791257 376539924 /nfs/dbraw/zinc/53/99/24/376539924.db2.gz YRMHWRLPQCMSGQ-UHFFFAOYSA-N 1 2 263.345 0.259 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000640883117 376596259 /nfs/dbraw/zinc/59/62/59/376596259.db2.gz ATKPALIJEDQALW-NSHDSACASA-N 1 2 261.329 0.254 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](OC)[C@H]2CCOC2)nn1 ZINC000641182566 376855680 /nfs/dbraw/zinc/85/56/80/376855680.db2.gz ADWWWIHBCITRQQ-JSGCOSHPSA-N 1 2 278.356 0.443 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CC(F)(F)F)nn1 ZINC000641212580 376892190 /nfs/dbraw/zinc/89/21/90/376892190.db2.gz MGZWMMABSKKKKE-JTQLQIEISA-N 1 2 276.262 0.704 20 30 CCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762605 249083692 /nfs/dbraw/zinc/08/36/92/249083692.db2.gz HZKPUUXZVWKTFQ-PLNGDYQASA-N 1 2 299.338 0.521 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000517403816 249218638 /nfs/dbraw/zinc/21/86/38/249218638.db2.gz DLEUHFVOCPXDMO-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000517403816 249218639 /nfs/dbraw/zinc/21/86/39/249218639.db2.gz DLEUHFVOCPXDMO-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ccnc(C#N)n3)CC2)cn1 ZINC000570739689 291779425 /nfs/dbraw/zinc/77/94/25/291779425.db2.gz RTMLGDYFSJDNRB-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)NCc2ccco2)nn1 ZINC000657305901 412955907 /nfs/dbraw/zinc/95/59/07/412955907.db2.gz VOCJTEDKWHIJGT-UHFFFAOYSA-N 1 2 289.339 0.853 20 30 CCEDLO C=CCCn1cc(CNCC[NH+]2CCSCC2)nn1 ZINC000657360130 412967762 /nfs/dbraw/zinc/96/77/62/412967762.db2.gz XLNOHZZDPNIHEF-UHFFFAOYSA-N 1 2 281.429 0.993 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000657387254 412977561 /nfs/dbraw/zinc/97/75/61/412977561.db2.gz NPNJUWXZRASZLE-NSHDSACASA-N 1 2 275.356 0.707 20 30 CCEDLO Cc1nsc(NC[C@H]2C[NH+]3CCN2CC3)c1C#N ZINC000288829107 197174161 /nfs/dbraw/zinc/17/41/61/197174161.db2.gz IXDMBHYWGRQRPV-JTQLQIEISA-N 1 2 263.370 0.735 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000407951785 260016952 /nfs/dbraw/zinc/01/69/52/260016952.db2.gz DCPWTFBNPXUKEG-NSHDSACASA-N 1 2 286.401 0.103 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1cnc(C#N)cn1 ZINC000185349996 388799831 /nfs/dbraw/zinc/79/98/31/388799831.db2.gz UHHDEJLQYSZTIU-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1cnc(C#N)cn1 ZINC000185349996 388799837 /nfs/dbraw/zinc/79/98/37/388799837.db2.gz UHHDEJLQYSZTIU-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C=C(C)Cn1c(C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283726757 388769440 /nfs/dbraw/zinc/76/94/40/388769440.db2.gz YDYSHIQEHPCQLS-UHFFFAOYSA-N 1 2 279.388 0.931 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286616544 388843291 /nfs/dbraw/zinc/84/32/91/388843291.db2.gz QTBBKDWRXQWKPB-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186325500 388832546 /nfs/dbraw/zinc/83/25/46/388832546.db2.gz YSLNICRJFJTXCD-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186325500 388832547 /nfs/dbraw/zinc/83/25/47/388832547.db2.gz YSLNICRJFJTXCD-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO C[C@]1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCOC1=O ZINC000289572473 388873760 /nfs/dbraw/zinc/87/37/60/388873760.db2.gz OMWCHJNOCWPOSX-DOMZBBRYSA-N 1 2 290.319 0.593 20 30 CCEDLO C[C@@]1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCOC1=O ZINC000289572480 388873787 /nfs/dbraw/zinc/87/37/87/388873787.db2.gz OMWCHJNOCWPOSX-IUODEOHRSA-N 1 2 290.319 0.593 20 30 CCEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000289461749 388870818 /nfs/dbraw/zinc/87/08/18/388870818.db2.gz GGXUVSCHGOZYML-UHFFFAOYSA-N 1 2 284.385 0.682 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000290932008 388914155 /nfs/dbraw/zinc/91/41/55/388914155.db2.gz VHNIIJFCWXXFOL-FZMZJTMJSA-N 1 2 297.424 0.949 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000290941785 388915729 /nfs/dbraw/zinc/91/57/29/388915729.db2.gz FQMYDAUHKGFUSN-LLVKDONJSA-N 1 2 274.324 0.989 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000050049408 388924955 /nfs/dbraw/zinc/92/49/55/388924955.db2.gz BRLXINOCCKNSOA-LBPRGKRZSA-N 1 2 266.341 0.824 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050049408 388924957 /nfs/dbraw/zinc/92/49/57/388924957.db2.gz BRLXINOCCKNSOA-LBPRGKRZSA-N 1 2 266.341 0.824 20 30 CCEDLO C#CC[N@@H+](CCOCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000066539019 388945301 /nfs/dbraw/zinc/94/53/01/388945301.db2.gz ADEKCDYMLQCQHH-SNVBAGLBSA-N 1 2 299.314 0.688 20 30 CCEDLO C#CC[N@H+](CCOCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000066539019 388945302 /nfs/dbraw/zinc/94/53/02/388945302.db2.gz ADEKCDYMLQCQHH-SNVBAGLBSA-N 1 2 299.314 0.688 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000292215166 388946300 /nfs/dbraw/zinc/94/63/00/388946300.db2.gz CZKUALQMIUOPDS-NSHDSACASA-N 1 2 264.329 0.494 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000293090710 388978958 /nfs/dbraw/zinc/97/89/58/388978958.db2.gz KHAGZHALJJGUCU-ZDUSSCGKSA-N 1 2 265.357 0.069 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000293090710 388978960 /nfs/dbraw/zinc/97/89/60/388978960.db2.gz KHAGZHALJJGUCU-ZDUSSCGKSA-N 1 2 265.357 0.069 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155475 388993883 /nfs/dbraw/zinc/99/38/83/388993883.db2.gz FYCWKTPGQCVEIZ-GHMZBOCLSA-N 1 2 291.355 0.412 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155475 388993884 /nfs/dbraw/zinc/99/38/84/388993884.db2.gz FYCWKTPGQCVEIZ-GHMZBOCLSA-N 1 2 291.355 0.412 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000192233806 389029014 /nfs/dbraw/zinc/02/90/14/389029014.db2.gz WBMDMYYXPNEDHZ-UHFFFAOYSA-N 1 2 259.309 0.577 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000192233806 389029017 /nfs/dbraw/zinc/02/90/17/389029017.db2.gz WBMDMYYXPNEDHZ-UHFFFAOYSA-N 1 2 259.309 0.577 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000192227788 389029426 /nfs/dbraw/zinc/02/94/26/389029426.db2.gz YJMMFYMYTYGGMA-UHFFFAOYSA-N 1 2 265.338 0.639 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000192227788 389029428 /nfs/dbraw/zinc/02/94/28/389029428.db2.gz YJMMFYMYTYGGMA-UHFFFAOYSA-N 1 2 265.338 0.639 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000192237626 389029641 /nfs/dbraw/zinc/02/96/41/389029641.db2.gz OBTOIZJGEIDHPE-LBPRGKRZSA-N 1 2 266.341 0.496 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000192237626 389029647 /nfs/dbraw/zinc/02/96/47/389029647.db2.gz OBTOIZJGEIDHPE-LBPRGKRZSA-N 1 2 266.341 0.496 20 30 CCEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCC#N ZINC000191629007 389014375 /nfs/dbraw/zinc/01/43/75/389014375.db2.gz IXXLELIMJXEUBC-GFCCVEGCSA-N 1 2 290.342 0.976 20 30 CCEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCC#N ZINC000191629007 389014377 /nfs/dbraw/zinc/01/43/77/389014377.db2.gz IXXLELIMJXEUBC-GFCCVEGCSA-N 1 2 290.342 0.976 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](COC)C2)C1=O ZINC000337205494 389054961 /nfs/dbraw/zinc/05/49/61/389054961.db2.gz KSPHFMZGLBUINP-UPJWGTAASA-N 1 2 268.357 0.509 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](COC)C2)C1=O ZINC000337205494 389054963 /nfs/dbraw/zinc/05/49/63/389054963.db2.gz KSPHFMZGLBUINP-UPJWGTAASA-N 1 2 268.357 0.509 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nnn(CC=C)c2=S)CC1 ZINC000098051318 389070129 /nfs/dbraw/zinc/07/01/29/389070129.db2.gz LJVXRNAJZGBVEV-UHFFFAOYSA-N 1 2 278.385 0.203 20 30 CCEDLO N#Cc1cccc(C#N)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000302422697 389070174 /nfs/dbraw/zinc/07/01/74/389070174.db2.gz JJVCCHCDCOESAV-CQSZACIVSA-N 1 2 286.335 0.535 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000304807175 389083933 /nfs/dbraw/zinc/08/39/33/389083933.db2.gz FVBSCBJWWKBJEP-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)C1=O ZINC000328952914 389147471 /nfs/dbraw/zinc/14/74/71/389147471.db2.gz ICPDUQQCLPXIIL-BARDWOONSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)C1=O ZINC000328952914 389147472 /nfs/dbraw/zinc/14/74/72/389147472.db2.gz ICPDUQQCLPXIIL-BARDWOONSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121332591 389147513 /nfs/dbraw/zinc/14/75/13/389147513.db2.gz CNQFPWGQSAVSCM-JTQLQIEISA-N 1 2 255.318 0.247 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338294684 389107897 /nfs/dbraw/zinc/10/78/97/389107897.db2.gz LNMMMSCNXLVHMZ-CYBMUJFWSA-N 1 2 293.367 0.428 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338294684 389107901 /nfs/dbraw/zinc/10/79/01/389107901.db2.gz LNMMMSCNXLVHMZ-CYBMUJFWSA-N 1 2 293.367 0.428 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)CSCC#N)CCO1 ZINC000194915792 389110594 /nfs/dbraw/zinc/11/05/94/389110594.db2.gz ASCZXEUKKWAWOX-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)CSCC#N)CCO1 ZINC000194915792 389110599 /nfs/dbraw/zinc/11/05/99/389110599.db2.gz ASCZXEUKKWAWOX-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328990548 389148431 /nfs/dbraw/zinc/14/84/31/389148431.db2.gz DACFHSJDXOUJEH-JTQLQIEISA-N 1 2 295.412 0.915 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328990548 389148432 /nfs/dbraw/zinc/14/84/32/389148432.db2.gz DACFHSJDXOUJEH-JTQLQIEISA-N 1 2 295.412 0.915 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000121377837 389148462 /nfs/dbraw/zinc/14/84/62/389148462.db2.gz HHJJXOWJIXZTGU-UHFFFAOYSA-N 1 2 291.351 0.849 20 30 CCEDLO CCNC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000338891142 389118312 /nfs/dbraw/zinc/11/83/12/389118312.db2.gz CPOCSYWKAJPCSI-UHFFFAOYSA-N 1 2 254.334 0.264 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356086783 389119565 /nfs/dbraw/zinc/11/95/65/389119565.db2.gz ZNQRRBMNKRYEMA-NSHDSACASA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339159854 389126466 /nfs/dbraw/zinc/12/64/66/389126466.db2.gz TUUQLJJBAKHOGS-LLVKDONJSA-N 1 2 274.386 0.045 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339159854 389126470 /nfs/dbraw/zinc/12/64/70/389126470.db2.gz TUUQLJJBAKHOGS-LLVKDONJSA-N 1 2 274.386 0.045 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339528523 389134816 /nfs/dbraw/zinc/13/48/16/389134816.db2.gz VNZNRKJQXLJUQY-UHFFFAOYSA-N 1 2 250.302 0.034 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328771778 389137177 /nfs/dbraw/zinc/13/71/77/389137177.db2.gz GYIMMVPNOZNYAK-WDEREUQCSA-N 1 2 251.330 0.824 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328771778 389137179 /nfs/dbraw/zinc/13/71/79/389137179.db2.gz GYIMMVPNOZNYAK-WDEREUQCSA-N 1 2 251.330 0.824 20 30 CCEDLO N#CCCCCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339704066 389137869 /nfs/dbraw/zinc/13/78/69/389137869.db2.gz UTXDPTRGSPEQMB-UHFFFAOYSA-N 1 2 299.334 0.761 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000339782829 389139576 /nfs/dbraw/zinc/13/95/76/389139576.db2.gz ZITWQSMDXNMYHG-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000339782829 389139579 /nfs/dbraw/zinc/13/95/79/389139579.db2.gz ZITWQSMDXNMYHG-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO CNC(=O)N[C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329829126 389205534 /nfs/dbraw/zinc/20/55/34/389205534.db2.gz JQSUQDPHBZWKQD-UPJWGTAASA-N 1 2 282.388 0.057 20 30 CCEDLO CNC(=O)N[C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329829126 389205535 /nfs/dbraw/zinc/20/55/35/389205535.db2.gz JQSUQDPHBZWKQD-UPJWGTAASA-N 1 2 282.388 0.057 20 30 CCEDLO CN1C[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CCC1=O ZINC000329657720 389183472 /nfs/dbraw/zinc/18/34/72/389183472.db2.gz NAJMBUJLSFAPTJ-JTQLQIEISA-N 1 2 277.328 0.234 20 30 CCEDLO CN1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC1=O ZINC000329657720 389183476 /nfs/dbraw/zinc/18/34/76/389183476.db2.gz NAJMBUJLSFAPTJ-JTQLQIEISA-N 1 2 277.328 0.234 20 30 CCEDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1nncs1 ZINC000329680171 389187190 /nfs/dbraw/zinc/18/71/90/389187190.db2.gz XSCWFQJLNCSZML-CIUDSAMLSA-N 1 2 268.342 0.829 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1nncs1 ZINC000329680171 389187194 /nfs/dbraw/zinc/18/71/94/389187194.db2.gz XSCWFQJLNCSZML-CIUDSAMLSA-N 1 2 268.342 0.829 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](O)C1 ZINC000329746618 389195751 /nfs/dbraw/zinc/19/57/51/389195751.db2.gz RWMKDFNTKWNNAV-NXEZZACHSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](O)C1 ZINC000329746618 389195754 /nfs/dbraw/zinc/19/57/54/389195754.db2.gz RWMKDFNTKWNNAV-NXEZZACHSA-N 1 2 264.329 0.638 20 30 CCEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)NCC#N ZINC000342070911 389196617 /nfs/dbraw/zinc/19/66/17/389196617.db2.gz MQSBEUGABWSKPV-NSHDSACASA-N 1 2 274.324 0.175 20 30 CCEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)NCC#N ZINC000342070911 389196619 /nfs/dbraw/zinc/19/66/19/389196619.db2.gz MQSBEUGABWSKPV-NSHDSACASA-N 1 2 274.324 0.175 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000342218886 389200304 /nfs/dbraw/zinc/20/03/04/389200304.db2.gz NLYHVZUYJGIWMT-MNOVXSKESA-N 1 2 276.365 0.913 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329782014 389200371 /nfs/dbraw/zinc/20/03/71/389200371.db2.gz UAYMPTRZCSJWJZ-UPJWGTAASA-N 1 2 283.372 0.484 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000358485896 389152875 /nfs/dbraw/zinc/15/28/75/389152875.db2.gz SLOOFHTVJUEDTO-SNVBAGLBSA-N 1 2 260.297 0.680 20 30 CCEDLO C[C@@H](C(=O)N1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000359347854 389171392 /nfs/dbraw/zinc/17/13/92/389171392.db2.gz IUNWNXIYSCFXHS-NSHDSACASA-N 1 2 269.320 0.561 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330589186 389244265 /nfs/dbraw/zinc/24/42/65/389244265.db2.gz UMXJBIFRVOCZCJ-YNEHKIRRSA-N 1 2 268.357 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330589186 389244267 /nfs/dbraw/zinc/24/42/67/389244267.db2.gz UMXJBIFRVOCZCJ-YNEHKIRRSA-N 1 2 268.357 0.150 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330594430 389244863 /nfs/dbraw/zinc/24/48/63/389244863.db2.gz WYAZIEMGXMSBHR-ZJUUUORDSA-N 1 2 270.308 0.696 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330594430 389244865 /nfs/dbraw/zinc/24/48/65/389244865.db2.gz WYAZIEMGXMSBHR-ZJUUUORDSA-N 1 2 270.308 0.696 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330650088 389249788 /nfs/dbraw/zinc/24/97/88/389249788.db2.gz XBEVMNVDBWCCPZ-QWRGUYRKSA-N 1 2 269.345 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330650088 389249790 /nfs/dbraw/zinc/24/97/90/389249790.db2.gz XBEVMNVDBWCCPZ-QWRGUYRKSA-N 1 2 269.345 0.702 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330955145 389262518 /nfs/dbraw/zinc/26/25/18/389262518.db2.gz MNPSKAAIFROSEU-CYBMUJFWSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330955145 389262520 /nfs/dbraw/zinc/26/25/20/389262520.db2.gz MNPSKAAIFROSEU-CYBMUJFWSA-N 1 2 297.355 0.950 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1(C)C ZINC000329892540 389209784 /nfs/dbraw/zinc/20/97/84/389209784.db2.gz ACBKJSSWZDNDGP-MROQNXINSA-N 1 2 297.399 0.729 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1(C)C ZINC000329892540 389209786 /nfs/dbraw/zinc/20/97/86/389209786.db2.gz ACBKJSSWZDNDGP-MROQNXINSA-N 1 2 297.399 0.729 20 30 CCEDLO CC#CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000361292033 389210989 /nfs/dbraw/zinc/21/09/89/389210989.db2.gz WPVDIJYSPJKHQK-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCOC3)C[C@H]21 ZINC000329925984 389211280 /nfs/dbraw/zinc/21/12/80/389211280.db2.gz VWVRYOVFWHOHDA-YNEHKIRRSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCOC3)C[C@H]21 ZINC000329925984 389211282 /nfs/dbraw/zinc/21/12/82/389211282.db2.gz VWVRYOVFWHOHDA-YNEHKIRRSA-N 1 2 283.372 0.342 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329968553 389215287 /nfs/dbraw/zinc/21/52/87/389215287.db2.gz WSJBIPUSJCBQNJ-UPJWGTAASA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329968553 389215291 /nfs/dbraw/zinc/21/52/91/389215291.db2.gz WSJBIPUSJCBQNJ-UPJWGTAASA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329968553 389215294 /nfs/dbraw/zinc/21/52/94/389215294.db2.gz WSJBIPUSJCBQNJ-UPJWGTAASA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329968553 389215298 /nfs/dbraw/zinc/21/52/98/389215298.db2.gz WSJBIPUSJCBQNJ-UPJWGTAASA-N 1 2 293.371 0.200 20 30 CCEDLO C=C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000361559213 389219005 /nfs/dbraw/zinc/21/90/05/389219005.db2.gz NWPJQFITHNMISN-UHFFFAOYSA-N 1 2 288.413 0.691 20 30 CCEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000361861365 389225182 /nfs/dbraw/zinc/22/51/82/389225182.db2.gz ZTUHUWROJFTPBP-ZDUSSCGKSA-N 1 2 264.350 0.401 20 30 CCEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000361861365 389225186 /nfs/dbraw/zinc/22/51/86/389225186.db2.gz ZTUHUWROJFTPBP-ZDUSSCGKSA-N 1 2 264.350 0.401 20 30 CCEDLO CC[C@@H](C(=O)N(C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330467018 389233018 /nfs/dbraw/zinc/23/30/18/389233018.db2.gz XURCHBXJTBGQRZ-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H](C(=O)N(C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330467018 389233019 /nfs/dbraw/zinc/23/30/19/389233019.db2.gz XURCHBXJTBGQRZ-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CNC(=O)NC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330487282 389234551 /nfs/dbraw/zinc/23/45/51/389234551.db2.gz GVAFHGQDEXCLMT-UHFFFAOYSA-N 1 2 299.371 0.700 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCOC1 ZINC000330548179 389240297 /nfs/dbraw/zinc/24/02/97/389240297.db2.gz AUWRJJHHAFBUCS-SNVBAGLBSA-N 1 2 252.318 0.850 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000264224154 389313673 /nfs/dbraw/zinc/31/36/73/389313673.db2.gz YSTHAMYPSZHITI-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000264224154 389313678 /nfs/dbraw/zinc/31/36/78/389313678.db2.gz YSTHAMYPSZHITI-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155889412 389321150 /nfs/dbraw/zinc/32/11/50/389321150.db2.gz SVDBFPCMKUTAOK-LLVKDONJSA-N 1 2 291.317 0.694 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155889412 389321155 /nfs/dbraw/zinc/32/11/55/389321155.db2.gz SVDBFPCMKUTAOK-LLVKDONJSA-N 1 2 291.317 0.694 20 30 CCEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347012903 389343685 /nfs/dbraw/zinc/34/36/85/389343685.db2.gz OIMCQATUXLAFKO-UHFFFAOYSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347012903 389343688 /nfs/dbraw/zinc/34/36/88/389343688.db2.gz OIMCQATUXLAFKO-UHFFFAOYSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264429971 389328289 /nfs/dbraw/zinc/32/82/89/389328289.db2.gz WRCMQFHKQHXNGM-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264429971 389328292 /nfs/dbraw/zinc/32/82/92/389328292.db2.gz WRCMQFHKQHXNGM-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456391 389329311 /nfs/dbraw/zinc/32/93/11/389329311.db2.gz OMAWYBHBLAVOTG-KGLIPLIRSA-N 1 2 291.395 0.882 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456391 389329314 /nfs/dbraw/zinc/32/93/14/389329314.db2.gz OMAWYBHBLAVOTG-KGLIPLIRSA-N 1 2 291.395 0.882 20 30 CCEDLO N#CCOc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000264543535 389334714 /nfs/dbraw/zinc/33/47/14/389334714.db2.gz IQKPCTDEXXPVHQ-UHFFFAOYSA-N 1 2 288.351 0.192 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266884963 389367812 /nfs/dbraw/zinc/36/78/12/389367812.db2.gz ZHZNCBCNMWBKKV-SCZZXKLOSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266884963 389367816 /nfs/dbraw/zinc/36/78/16/389367816.db2.gz ZHZNCBCNMWBKKV-SCZZXKLOSA-N 1 2 264.247 0.123 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(C)(CO)CO ZINC000159519644 389369059 /nfs/dbraw/zinc/36/90/59/389369059.db2.gz MMVZOBXOJCKSEG-UHFFFAOYSA-N 1 2 291.351 0.419 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(C)(CO)CO ZINC000159519644 389369062 /nfs/dbraw/zinc/36/90/62/389369062.db2.gz MMVZOBXOJCKSEG-UHFFFAOYSA-N 1 2 291.351 0.419 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349248988 389408719 /nfs/dbraw/zinc/40/87/19/389408719.db2.gz WHUMBSJBDKIDBE-MRVPVSSYSA-N 1 2 252.274 0.337 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347015344 389345293 /nfs/dbraw/zinc/34/52/93/389345293.db2.gz CYXLQASHVXPQAJ-LBPRGKRZSA-N 1 2 288.351 0.515 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccccc1F ZINC000171891625 389480752 /nfs/dbraw/zinc/48/07/52/389480752.db2.gz ZEFRRIGVTJVOLY-UHFFFAOYSA-N 1 2 267.304 0.947 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000349784757 389435804 /nfs/dbraw/zinc/43/58/04/389435804.db2.gz RPRQTSVRJYTRNO-UHFFFAOYSA-N 1 2 290.348 0.911 20 30 CCEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CN(CCC#N)C[C@H]1O ZINC000411680109 389443220 /nfs/dbraw/zinc/44/32/20/389443220.db2.gz XBBPQGHRZPAXHU-NWDGAFQWSA-N 1 2 283.372 0.219 20 30 CCEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CN(CCC#N)C[C@H]1O ZINC000411680109 389443224 /nfs/dbraw/zinc/44/32/24/389443224.db2.gz XBBPQGHRZPAXHU-NWDGAFQWSA-N 1 2 283.372 0.219 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)CCC1 ZINC000372631080 389455122 /nfs/dbraw/zinc/45/51/22/389455122.db2.gz JLYBLVNUTXFGLO-UHFFFAOYSA-N 1 2 263.341 0.661 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOCC3(CC3)C2)CCC1 ZINC000372631080 389455129 /nfs/dbraw/zinc/45/51/29/389455129.db2.gz JLYBLVNUTXFGLO-UHFFFAOYSA-N 1 2 263.341 0.661 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)OCC ZINC000372875300 389458569 /nfs/dbraw/zinc/45/85/69/389458569.db2.gz ALZWTESVWKDPOB-CYBMUJFWSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)OCC ZINC000372875300 389458572 /nfs/dbraw/zinc/45/85/72/389458572.db2.gz ALZWTESVWKDPOB-CYBMUJFWSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374042240 389539556 /nfs/dbraw/zinc/53/95/56/389539556.db2.gz ARTUPPGFVIIOBN-IUCAKERBSA-N 1 2 275.146 0.484 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374042240 389539558 /nfs/dbraw/zinc/53/95/58/389539558.db2.gz ARTUPPGFVIIOBN-IUCAKERBSA-N 1 2 275.146 0.484 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000176003462 389551563 /nfs/dbraw/zinc/55/15/63/389551563.db2.gz SHBWXFXSGKXQMG-WLRTZDKTSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000176003462 389551567 /nfs/dbraw/zinc/55/15/67/389551567.db2.gz SHBWXFXSGKXQMG-WLRTZDKTSA-N 1 2 277.368 0.236 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971833 389558827 /nfs/dbraw/zinc/55/88/27/389558827.db2.gz OLTNJNBAHZLVIU-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000350971833 389558832 /nfs/dbraw/zinc/55/88/32/389558832.db2.gz OLTNJNBAHZLVIU-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@H]2CC(C)C)C1=O ZINC000281453813 389616579 /nfs/dbraw/zinc/61/65/79/389616579.db2.gz UWSONKCGRVZFAG-QWHCGFSZSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@H]2CC(C)C)C1=O ZINC000281453813 389616581 /nfs/dbraw/zinc/61/65/81/389616581.db2.gz UWSONKCGRVZFAG-QWHCGFSZSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](F)(C(=O)OC)C2)C1=O ZINC000281964085 389639912 /nfs/dbraw/zinc/63/99/12/389639912.db2.gz KQHXVYUXWVODKC-ZWNOBZJWSA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](F)(C(=O)OC)C2)C1=O ZINC000281964085 389639915 /nfs/dbraw/zinc/63/99/15/389639915.db2.gz KQHXVYUXWVODKC-ZWNOBZJWSA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1=O ZINC000281971058 389641034 /nfs/dbraw/zinc/64/10/34/389641034.db2.gz LCJMFZXSNOZYSM-CYBMUJFWSA-N 1 2 287.367 0.386 20 30 CCEDLO CCC1(CC)CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414114761 389600694 /nfs/dbraw/zinc/60/06/94/389600694.db2.gz UCLHPOGLVOFYEO-GFCCVEGCSA-N 1 2 295.383 0.758 20 30 CCEDLO CCC1(CC)CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414114761 389600699 /nfs/dbraw/zinc/60/06/99/389600699.db2.gz UCLHPOGLVOFYEO-GFCCVEGCSA-N 1 2 295.383 0.758 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c[nH]1 ZINC000336558935 389650911 /nfs/dbraw/zinc/65/09/11/389650911.db2.gz BLRVRZOYDGDQJV-VIFPVBQESA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c[nH]1 ZINC000336558935 389650916 /nfs/dbraw/zinc/65/09/16/389650916.db2.gz BLRVRZOYDGDQJV-VIFPVBQESA-N 1 2 255.281 0.897 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425844435 389657514 /nfs/dbraw/zinc/65/75/14/389657514.db2.gz LFXIKFNENHUONC-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C=CCCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000351691046 389658142 /nfs/dbraw/zinc/65/81/42/389658142.db2.gz GUDKGGQBIDNPKN-CYBMUJFWSA-N 1 2 268.405 0.888 20 30 CCEDLO C=CCCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000351691046 389658144 /nfs/dbraw/zinc/65/81/44/389658144.db2.gz GUDKGGQBIDNPKN-CYBMUJFWSA-N 1 2 268.405 0.888 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426856334 389679170 /nfs/dbraw/zinc/67/91/70/389679170.db2.gz AYFXMYJDRCMUOV-FRRDWIJNSA-N 1 2 270.373 0.539 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000426856334 389679174 /nfs/dbraw/zinc/67/91/74/389679174.db2.gz AYFXMYJDRCMUOV-FRRDWIJNSA-N 1 2 270.373 0.539 20 30 CCEDLO N#Cc1c(F)cccc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000428308704 389691510 /nfs/dbraw/zinc/69/15/10/389691510.db2.gz IZCMKPYFCAURRV-UHFFFAOYSA-N 1 2 297.355 0.950 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375661507 389697508 /nfs/dbraw/zinc/69/75/08/389697508.db2.gz VRQCBYALMPNYCM-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375661507 389697510 /nfs/dbraw/zinc/69/75/10/389697510.db2.gz VRQCBYALMPNYCM-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375723454 389704653 /nfs/dbraw/zinc/70/46/53/389704653.db2.gz PVVYLPHLGXHJNE-LLVKDONJSA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375723454 389704656 /nfs/dbraw/zinc/70/46/56/389704656.db2.gz PVVYLPHLGXHJNE-LLVKDONJSA-N 1 2 277.328 0.558 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416670787 389765591 /nfs/dbraw/zinc/76/55/91/389765591.db2.gz UPYYAEQUCPNNII-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416670787 389765592 /nfs/dbraw/zinc/76/55/92/389765592.db2.gz UPYYAEQUCPNNII-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCC#N ZINC000429265945 389747835 /nfs/dbraw/zinc/74/78/35/389747835.db2.gz HXMZBLLIPPTLQI-GFCCVEGCSA-N 1 2 290.342 0.976 20 30 CCEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCC#N ZINC000429265945 389747836 /nfs/dbraw/zinc/74/78/36/389747836.db2.gz HXMZBLLIPPTLQI-GFCCVEGCSA-N 1 2 290.342 0.976 20 30 CCEDLO N#CCCCCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000352468954 389815839 /nfs/dbraw/zinc/81/58/39/389815839.db2.gz BILDVNRZQXGWLI-UHFFFAOYSA-N 1 2 291.442 0.648 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666729 389833542 /nfs/dbraw/zinc/83/35/42/389833542.db2.gz IENWNISFCAUGBC-QWHCGFSZSA-N 1 2 281.400 0.962 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352666729 389833546 /nfs/dbraw/zinc/83/35/46/389833546.db2.gz IENWNISFCAUGBC-QWHCGFSZSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCCCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000353950045 389857156 /nfs/dbraw/zinc/85/71/56/389857156.db2.gz HJGDVKYXMNDIDM-UHFFFAOYSA-N 1 2 269.389 0.867 20 30 CCEDLO C=CCCCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000353950045 389857157 /nfs/dbraw/zinc/85/71/57/389857157.db2.gz HJGDVKYXMNDIDM-UHFFFAOYSA-N 1 2 269.389 0.867 20 30 CCEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCNC1=O ZINC000442962359 389869112 /nfs/dbraw/zinc/86/91/12/389869112.db2.gz KJQYWOUIEZUYKJ-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCNC1=O ZINC000442962359 389869113 /nfs/dbraw/zinc/86/91/13/389869113.db2.gz KJQYWOUIEZUYKJ-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433303811 389908156 /nfs/dbraw/zinc/90/81/56/389908156.db2.gz JDKLZNGKFDYKHK-NSHDSACASA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303811 389908159 /nfs/dbraw/zinc/90/81/59/389908159.db2.gz JDKLZNGKFDYKHK-NSHDSACASA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(C)(C)C#N ZINC000433300051 389908360 /nfs/dbraw/zinc/90/83/60/389908360.db2.gz DCRWCGPVNZRGCP-SECBINFHSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433300051 389908361 /nfs/dbraw/zinc/90/83/61/389908361.db2.gz DCRWCGPVNZRGCP-SECBINFHSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584051 389988124 /nfs/dbraw/zinc/98/81/24/389988124.db2.gz BEHBJBJRGLNCSM-RISCZKNCSA-N 1 2 265.357 0.763 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NCc1ccco1 ZINC000490678934 390107038 /nfs/dbraw/zinc/10/70/38/390107038.db2.gz PKZDFSMKZKRVGW-UHFFFAOYSA-N 1 2 287.319 0.564 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NCc1ccco1 ZINC000490678934 390107039 /nfs/dbraw/zinc/10/70/39/390107039.db2.gz PKZDFSMKZKRVGW-UHFFFAOYSA-N 1 2 287.319 0.564 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000491384802 390112797 /nfs/dbraw/zinc/11/27/97/390112797.db2.gz PQPHYMILBOXEOE-RYUDHWBXSA-N 1 2 259.309 0.306 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491429988 390113331 /nfs/dbraw/zinc/11/33/31/390113331.db2.gz WSTXMOIVNZEXSO-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491429988 390113332 /nfs/dbraw/zinc/11/33/32/390113332.db2.gz WSTXMOIVNZEXSO-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000644193069 390160090 /nfs/dbraw/zinc/16/00/90/390160090.db2.gz NQJFLXUFADJEPH-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000644193069 390160092 /nfs/dbraw/zinc/16/00/92/390160092.db2.gz NQJFLXUFADJEPH-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO CN1CCC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000539803153 390210626 /nfs/dbraw/zinc/21/06/26/390210626.db2.gz NLHDYOCABCIMAS-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1C#N ZINC000495849038 390255187 /nfs/dbraw/zinc/25/51/87/390255187.db2.gz MHJVEPSQHQQISE-GFCCVEGCSA-N 1 2 274.324 0.923 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1C#N ZINC000495849038 390255190 /nfs/dbraw/zinc/25/51/90/390255190.db2.gz MHJVEPSQHQQISE-GFCCVEGCSA-N 1 2 274.324 0.923 20 30 CCEDLO CC(=O)Nc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000583266830 390279048 /nfs/dbraw/zinc/27/90/48/390279048.db2.gz XVFAGMCPZXVGJZ-CQSZACIVSA-N 1 2 289.339 0.614 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000644681141 390284780 /nfs/dbraw/zinc/28/47/80/390284780.db2.gz AQTUOCNAKOFREW-YPMHNXCESA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000644681141 390284785 /nfs/dbraw/zinc/28/47/85/390284785.db2.gz AQTUOCNAKOFREW-YPMHNXCESA-N 1 2 293.371 0.303 20 30 CCEDLO C[C@@H](O)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000583333267 390286154 /nfs/dbraw/zinc/28/61/54/390286154.db2.gz KEALNZUZIRRGDK-GFCCVEGCSA-N 1 2 291.351 0.323 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000583852288 390316637 /nfs/dbraw/zinc/31/66/37/390316637.db2.gz ZRSMQWVTJRCDKE-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2[C@@H](C)C2(F)F)c1C#N ZINC000545188848 390317586 /nfs/dbraw/zinc/31/75/86/390317586.db2.gz NCCSMAWRGOEIAU-GMSGAONNSA-N 1 2 297.309 0.695 20 30 CCEDLO C[C@H]1CN(C(=O)c2cccc(C#N)n2)CC[N@@H+]1CCO ZINC000589491336 390360278 /nfs/dbraw/zinc/36/02/78/390360278.db2.gz BAAFAOUTQFOMPO-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@H]1CN(C(=O)c2cccc(C#N)n2)CC[N@H+]1CCO ZINC000589491336 390360281 /nfs/dbraw/zinc/36/02/81/390360281.db2.gz BAAFAOUTQFOMPO-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000645539910 390443562 /nfs/dbraw/zinc/44/35/62/390443562.db2.gz OPBAWSYIROVKMJ-GFCCVEGCSA-N 1 2 264.329 0.036 20 30 CCEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000496976340 390396253 /nfs/dbraw/zinc/39/62/53/390396253.db2.gz GHYWMKFWHVXSHD-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000496976340 390396261 /nfs/dbraw/zinc/39/62/61/390396261.db2.gz GHYWMKFWHVXSHD-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO C=CCn1cc(C(=O)NCc2ccc[nH+]c2N(C)C)nn1 ZINC000648734088 390397599 /nfs/dbraw/zinc/39/75/99/390397599.db2.gz WSXRLWVAAWBZLP-UHFFFAOYSA-N 1 2 286.339 0.855 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000562543141 390489244 /nfs/dbraw/zinc/48/92/44/390489244.db2.gz LWCNUXUJGCYOSV-STQMWFEESA-N 1 2 295.383 0.411 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000562543141 390489249 /nfs/dbraw/zinc/48/92/49/390489249.db2.gz LWCNUXUJGCYOSV-STQMWFEESA-N 1 2 295.383 0.411 20 30 CCEDLO Cc1ccc(C(N)=O)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000564804321 390496528 /nfs/dbraw/zinc/49/65/28/390496528.db2.gz VJOKOISSANMNGR-LBPRGKRZSA-N 1 2 291.351 0.679 20 30 CCEDLO Cc1ccc(C(N)=O)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000564804321 390496530 /nfs/dbraw/zinc/49/65/30/390496530.db2.gz VJOKOISSANMNGR-LBPRGKRZSA-N 1 2 291.351 0.679 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000564735994 390496563 /nfs/dbraw/zinc/49/65/63/390496563.db2.gz LNCYASPUMKQRLM-NWDGAFQWSA-N 1 2 283.372 0.972 20 30 CCEDLO Cc1cc(=NC(=O)C[N@H+]2CC[C@H](C)C2)[nH]n1CCC#N ZINC000565191009 390500659 /nfs/dbraw/zinc/50/06/59/390500659.db2.gz NDEZYDLZNYKWCF-NSHDSACASA-N 1 2 275.356 0.807 20 30 CCEDLO Cc1cc(=NC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]n1CCC#N ZINC000565191009 390500664 /nfs/dbraw/zinc/50/06/64/390500664.db2.gz NDEZYDLZNYKWCF-NSHDSACASA-N 1 2 275.356 0.807 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000514693269 390468782 /nfs/dbraw/zinc/46/87/82/390468782.db2.gz NJIYCTAJIOJBGG-ZDUSSCGKSA-N 1 2 289.379 0.925 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000514693269 390468786 /nfs/dbraw/zinc/46/87/86/390468786.db2.gz NJIYCTAJIOJBGG-ZDUSSCGKSA-N 1 2 289.379 0.925 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000514863884 390470818 /nfs/dbraw/zinc/47/08/18/390470818.db2.gz LBIOBVDJDOPGEO-ZDUSSCGKSA-N 1 2 277.324 0.113 20 30 CCEDLO CC(C)(C(=O)N1CCN(C(=O)CC#N)CC1)c1c[nH+]c[nH]1 ZINC000515070963 390472959 /nfs/dbraw/zinc/47/29/59/390472959.db2.gz OQTUOBTZTRNJCR-UHFFFAOYSA-N 1 2 289.339 0.272 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000566348302 390596753 /nfs/dbraw/zinc/59/67/53/390596753.db2.gz CQACNAOAMXYAOJ-LBPRGKRZSA-N 1 2 286.339 0.805 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000571816155 390754694 /nfs/dbraw/zinc/75/46/94/390754694.db2.gz QYFSRRHIQAFWQV-LBPRGKRZSA-N 1 2 259.313 0.457 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571816155 390754697 /nfs/dbraw/zinc/75/46/97/390754697.db2.gz QYFSRRHIQAFWQV-LBPRGKRZSA-N 1 2 259.313 0.457 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000571824449 390755362 /nfs/dbraw/zinc/75/53/62/390755362.db2.gz AFWLTAAYJXZEBV-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000532180343 390879087 /nfs/dbraw/zinc/87/90/87/390879087.db2.gz QUGFTHBCMZICGP-NSHDSACASA-N 1 2 260.297 0.417 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000532180343 390879088 /nfs/dbraw/zinc/87/90/88/390879088.db2.gz QUGFTHBCMZICGP-NSHDSACASA-N 1 2 260.297 0.417 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268408531 132004910 /nfs/dbraw/zinc/00/49/10/132004910.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268408531 132004912 /nfs/dbraw/zinc/00/49/12/132004912.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268408531 132004913 /nfs/dbraw/zinc/00/49/13/132004913.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268408531 132004917 /nfs/dbraw/zinc/00/49/17/132004917.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268408531 132004919 /nfs/dbraw/zinc/00/49/19/132004919.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268408531 132004921 /nfs/dbraw/zinc/00/49/21/132004921.db2.gz ACLQYBXWBDDAMI-CMPLNLGQSA-N 1 2 277.372 0.983 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000198201677 397428211 /nfs/dbraw/zinc/42/82/11/397428211.db2.gz JTJUBAAHEAWSQS-CYBMUJFWSA-N 1 2 268.361 0.061 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000198201677 397428215 /nfs/dbraw/zinc/42/82/15/397428215.db2.gz JTJUBAAHEAWSQS-CYBMUJFWSA-N 1 2 268.361 0.061 20 30 CCEDLO Cn1ncc(C(=O)NCc2ccn3cc[nH+]c3c2)c1C#N ZINC000356395065 143998650 /nfs/dbraw/zinc/99/86/50/143998650.db2.gz NLIHSPLPNUNJLF-UHFFFAOYSA-N 1 2 280.291 0.869 20 30 CCEDLO Cc1ccc(Cn2c(=O)c(C#N)cn(C)c2=O)c(C)[nH+]1 ZINC000358862791 144183787 /nfs/dbraw/zinc/18/37/87/144183787.db2.gz HVAUXQNSEBWNTM-UHFFFAOYSA-N 1 2 270.292 0.479 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000650319287 397713052 /nfs/dbraw/zinc/71/30/52/397713052.db2.gz QOUXCHFGJHSUSL-UHFFFAOYSA-N 1 2 275.352 0.862 20 30 CCEDLO CN1CCC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000546919271 285927333 /nfs/dbraw/zinc/92/73/33/285927333.db2.gz NJIORDDDKNZQNN-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552145527 286155446 /nfs/dbraw/zinc/15/54/46/286155446.db2.gz BCPWBQGYUNARMQ-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552145527 286155449 /nfs/dbraw/zinc/15/54/49/286155449.db2.gz BCPWBQGYUNARMQ-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452080958 286270791 /nfs/dbraw/zinc/27/07/91/286270791.db2.gz HWTBKSQGYAXLQD-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452080958 286270792 /nfs/dbraw/zinc/27/07/92/286270792.db2.gz HWTBKSQGYAXLQD-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO C=CCNC(=O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651670387 411915798 /nfs/dbraw/zinc/91/57/98/411915798.db2.gz GNNPHLXVZNQJST-UHFFFAOYSA-N 1 2 276.340 0.180 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C(C)=O)C(C)C ZINC000653756596 412341786 /nfs/dbraw/zinc/34/17/86/412341786.db2.gz DSCFDOLJEVYNHW-AAEUAGOBSA-N 1 2 253.346 0.998 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(CC)C2=O)C1=O ZINC000660463730 414337953 /nfs/dbraw/zinc/33/79/53/414337953.db2.gz GPJVJYOGKFYFDB-NWDGAFQWSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(CC)C2=O)C1=O ZINC000660463730 414337958 /nfs/dbraw/zinc/33/79/58/414337958.db2.gz GPJVJYOGKFYFDB-NWDGAFQWSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660716299 414457845 /nfs/dbraw/zinc/45/78/45/414457845.db2.gz VKQHPVMEJJUWIG-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660716299 414457849 /nfs/dbraw/zinc/45/78/49/414457849.db2.gz VKQHPVMEJJUWIG-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CC[N@@H+](Cc1nc(CC(=O)NC)no1)[C@@H](C)COC ZINC000661243772 414583647 /nfs/dbraw/zinc/58/36/47/414583647.db2.gz NAJDJDXROQEBSO-JTQLQIEISA-N 1 2 282.344 0.381 20 30 CCEDLO C=CC[N@H+](Cc1nc(CC(=O)NC)no1)[C@@H](C)COC ZINC000661243772 414583650 /nfs/dbraw/zinc/58/36/50/414583650.db2.gz NAJDJDXROQEBSO-JTQLQIEISA-N 1 2 282.344 0.381 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)NCC)CC1 ZINC000078778962 177386928 /nfs/dbraw/zinc/38/69/28/177386928.db2.gz IGAJFOUXXMFJCP-UHFFFAOYSA-N 1 2 294.399 0.534 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437924 416437159 /nfs/dbraw/zinc/43/71/59/416437159.db2.gz OTWJZQJAWICXCC-GFCCVEGCSA-N 1 2 266.366 0.939 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)s1 ZINC000329244609 227378328 /nfs/dbraw/zinc/37/83/28/227378328.db2.gz PZXFEAZOUMVSAM-BDAKNGLRSA-N 1 2 298.368 0.712 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)s1 ZINC000329244609 227378333 /nfs/dbraw/zinc/37/83/33/227378333.db2.gz PZXFEAZOUMVSAM-BDAKNGLRSA-N 1 2 298.368 0.712 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329026420 227263771 /nfs/dbraw/zinc/26/37/71/227263771.db2.gz OCBQMYHVTZCYRJ-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329026420 227263774 /nfs/dbraw/zinc/26/37/74/227263774.db2.gz OCBQMYHVTZCYRJ-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCCCC1=O ZINC000329104410 227299697 /nfs/dbraw/zinc/29/96/97/227299697.db2.gz OBGUIQCZGBINHV-LBPRGKRZSA-N 1 2 283.372 0.676 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CCCCC1=O ZINC000329104410 227299701 /nfs/dbraw/zinc/29/97/01/227299701.db2.gz OBGUIQCZGBINHV-LBPRGKRZSA-N 1 2 283.372 0.676 20 30 CCEDLO Cc1nnc(CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)o1 ZINC000330148275 228050028 /nfs/dbraw/zinc/05/00/28/228050028.db2.gz UPZQPESDGLJFEB-UHFFFAOYSA-N 1 2 282.344 0.988 20 30 CCEDLO Cc1nnc(CC(=O)NCC[N@H+]2CCOC(C)(C)C2)o1 ZINC000330148275 228050031 /nfs/dbraw/zinc/05/00/31/228050031.db2.gz UPZQPESDGLJFEB-UHFFFAOYSA-N 1 2 282.344 0.988 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329413774 545022886 /nfs/dbraw/zinc/02/28/86/545022886.db2.gz CPKALWOTVJQQKA-MNOVXSKESA-N 1 2 264.329 0.833 20 30 CCEDLO O=C(N[C@H]1CCc2ncnn2C1)N1CCn2cc[nH+]c2C1 ZINC000329462355 545022968 /nfs/dbraw/zinc/02/29/68/545022968.db2.gz SVSIPGNIOGLJIU-JTQLQIEISA-N 1 2 287.327 0.219 20 30 CCEDLO [O-]C(=[NH+]CC[NH+]1CCSCC1)N1CCn2cnnc2C1 ZINC000329422787 545023068 /nfs/dbraw/zinc/02/30/68/545023068.db2.gz HQNDYXGTBSSGQU-UHFFFAOYSA-N 1 2 296.400 0.057 20 30 CCEDLO CC(C)[C@H](C(=O)NCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000407962982 260101229 /nfs/dbraw/zinc/10/12/29/260101229.db2.gz FIFXPWZIDSORRV-GRYCIOLGSA-N 1 2 253.346 0.760 20 30 CCEDLO CC(C)[C@H](C(=O)NCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000407962982 260101231 /nfs/dbraw/zinc/10/12/31/260101231.db2.gz FIFXPWZIDSORRV-GRYCIOLGSA-N 1 2 253.346 0.760 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)C2CC2)cc1 ZINC000049065800 260203221 /nfs/dbraw/zinc/20/32/21/260203221.db2.gz DZHMLXZUPUXSDH-UHFFFAOYSA-N 1 2 277.324 0.953 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000408104019 260232330 /nfs/dbraw/zinc/23/23/30/260232330.db2.gz OLSJHAQHHPNYJZ-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000408104019 260232332 /nfs/dbraw/zinc/23/23/32/260232332.db2.gz OLSJHAQHHPNYJZ-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000128404744 260815222 /nfs/dbraw/zinc/81/52/22/260815222.db2.gz YJDDFBABIJOBIB-SECBINFHSA-N 1 2 276.296 0.837 20 30 CCEDLO C[C@H](C(=O)N(CC#N)CC#N)[NH+]1CCSCC1 ZINC000151903266 261056760 /nfs/dbraw/zinc/05/67/60/261056760.db2.gz YHLZLECDOOCFCA-SNVBAGLBSA-N 1 2 252.343 0.299 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2cccs2)CC1 ZINC000490800543 261210602 /nfs/dbraw/zinc/21/06/02/261210602.db2.gz UGXKCBKJGJFVKY-UHFFFAOYSA-N 1 2 291.376 0.876 20 30 CCEDLO C#CC[N@@H+](CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000490839639 261225028 /nfs/dbraw/zinc/22/50/28/261225028.db2.gz IXDVYUVQELPGKY-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000490839639 261225029 /nfs/dbraw/zinc/22/50/29/261225029.db2.gz IXDVYUVQELPGKY-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000490951111 261264047 /nfs/dbraw/zinc/26/40/47/261264047.db2.gz WBLTUFUFMZAITI-AWEZNQCLSA-N 1 2 261.369 0.107 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000490964041 261268374 /nfs/dbraw/zinc/26/83/74/261268374.db2.gz YMYYECGDICXJPR-OLZOCXBDSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC000490964041 261268376 /nfs/dbraw/zinc/26/83/76/261268376.db2.gz YMYYECGDICXJPR-OLZOCXBDSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2csnn2)CC1 ZINC000491772430 262027515 /nfs/dbraw/zinc/02/75/15/262027515.db2.gz QRHDLHBFJMBHFI-UHFFFAOYSA-N 1 2 264.354 0.500 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000354523819 262270129 /nfs/dbraw/zinc/27/01/29/262270129.db2.gz ZERWBVFKCGDGFJ-MFKMUULPSA-N 1 2 278.312 0.550 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000354523819 262270130 /nfs/dbraw/zinc/27/01/30/262270130.db2.gz ZERWBVFKCGDGFJ-MFKMUULPSA-N 1 2 278.312 0.550 20 30 CCEDLO N#CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369251523 262365183 /nfs/dbraw/zinc/36/51/83/262365183.db2.gz NYBAQTKTTYMDMA-ZDUSSCGKSA-N 1 2 284.323 0.770 20 30 CCEDLO N#CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369251523 262365184 /nfs/dbraw/zinc/36/51/84/262365184.db2.gz NYBAQTKTTYMDMA-ZDUSSCGKSA-N 1 2 284.323 0.770 20 30 CCEDLO C#CCOCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000162970917 262385046 /nfs/dbraw/zinc/38/50/46/262385046.db2.gz QXWRTDNNFAAPNB-UHFFFAOYSA-N 1 2 275.352 0.918 20 30 CCEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000274366653 263023534 /nfs/dbraw/zinc/02/35/34/263023534.db2.gz PAAZYBDJEDIVCP-SNVBAGLBSA-N 1 2 293.323 0.887 20 30 CCEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284549782 263087492 /nfs/dbraw/zinc/08/74/92/263087492.db2.gz VXBCKPSLJDXTIR-YUMQZZPRSA-N 1 2 270.289 0.745 20 30 CCEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NCC#N ZINC000340849606 263309235 /nfs/dbraw/zinc/30/92/35/263309235.db2.gz LCNXDWBYGNFAIN-UHFFFAOYSA-N 1 2 277.353 0.776 20 30 CCEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NCC#N ZINC000340849606 263309237 /nfs/dbraw/zinc/30/92/37/263309237.db2.gz LCNXDWBYGNFAIN-UHFFFAOYSA-N 1 2 277.353 0.776 20 30 CCEDLO CCN(CC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341226028 263327587 /nfs/dbraw/zinc/32/75/87/263327587.db2.gz VOJMYLGXZDZAOR-UHFFFAOYSA-N 1 2 290.367 0.769 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000341427544 263337203 /nfs/dbraw/zinc/33/72/03/263337203.db2.gz BNPOIEJDVBLCCU-GFCCVEGCSA-N 1 2 291.351 0.938 20 30 CCEDLO C[C@H]1COCCN1CC#CC[N@@H+]1CCOC[C@@H]1C ZINC000341837438 263356524 /nfs/dbraw/zinc/35/65/24/263356524.db2.gz VHBVBNYBMVBNHP-KBPBESRZSA-N 1 2 252.358 0.431 20 30 CCEDLO C[C@H]1COCCN1CC#CC[N@H+]1CCOC[C@@H]1C ZINC000341837438 263356526 /nfs/dbraw/zinc/35/65/26/263356526.db2.gz VHBVBNYBMVBNHP-KBPBESRZSA-N 1 2 252.358 0.431 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000341993991 263372764 /nfs/dbraw/zinc/37/27/64/263372764.db2.gz RQNJCFFZMVZAPX-UHFFFAOYSA-N 1 2 293.289 0.917 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC000960502779 649854674 /nfs/dbraw/zinc/85/46/74/649854674.db2.gz NXYXLTQRIBWTFN-NWDGAFQWSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC000960502779 649854675 /nfs/dbraw/zinc/85/46/75/649854675.db2.gz NXYXLTQRIBWTFN-NWDGAFQWSA-N 1 2 290.371 0.398 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330702548 264017853 /nfs/dbraw/zinc/01/78/53/264017853.db2.gz ZTBXJXFXNMXBNY-LLVKDONJSA-N 1 2 281.360 0.950 20 30 CCEDLO C=C1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000330717291 264023492 /nfs/dbraw/zinc/02/34/92/264023492.db2.gz ZVDMRNZKLZIPGP-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000330717291 264023493 /nfs/dbraw/zinc/02/34/93/264023493.db2.gz ZVDMRNZKLZIPGP-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330762101 264031926 /nfs/dbraw/zinc/03/19/26/264031926.db2.gz NRZFKJYKVKJOLG-LLVKDONJSA-N 1 2 293.371 0.568 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330762101 264031928 /nfs/dbraw/zinc/03/19/28/264031928.db2.gz NRZFKJYKVKJOLG-LLVKDONJSA-N 1 2 293.371 0.568 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773767 264034681 /nfs/dbraw/zinc/03/46/81/264034681.db2.gz FXURFKUUKWSLSM-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773767 264034683 /nfs/dbraw/zinc/03/46/83/264034683.db2.gz FXURFKUUKWSLSM-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330728894 264035705 /nfs/dbraw/zinc/03/57/05/264035705.db2.gz GZRQBXLTJJSJMF-NSHDSACASA-N 1 2 271.361 0.783 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330728894 264035706 /nfs/dbraw/zinc/03/57/06/264035706.db2.gz GZRQBXLTJJSJMF-NSHDSACASA-N 1 2 271.361 0.783 20 30 CCEDLO CCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)co1 ZINC000330806998 264043320 /nfs/dbraw/zinc/04/33/20/264043320.db2.gz CKLKDERJNXTANC-SNVBAGLBSA-N 1 2 283.328 0.235 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330833993 264050355 /nfs/dbraw/zinc/05/03/55/264050355.db2.gz JVJRPNZKWLBMMS-NSHDSACASA-N 1 2 271.386 0.158 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330833993 264050356 /nfs/dbraw/zinc/05/03/56/264050356.db2.gz JVJRPNZKWLBMMS-NSHDSACASA-N 1 2 271.386 0.158 20 30 CCEDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330844388 264066699 /nfs/dbraw/zinc/06/66/99/264066699.db2.gz NGEAEHDDJJIDIA-CYBMUJFWSA-N 1 2 287.363 0.778 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)CCCC#N)CC2)cn1 ZINC000330897664 264078525 /nfs/dbraw/zinc/07/85/25/264078525.db2.gz OJJUKMIQASKTSX-UHFFFAOYSA-N 1 2 275.356 0.758 20 30 CCEDLO COCCN(C)C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000330955398 264087520 /nfs/dbraw/zinc/08/75/20/264087520.db2.gz HDCWLCFUODHPFA-NSHDSACASA-N 1 2 266.345 0.938 20 30 CCEDLO CN(C)C(=O)NCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330985551 264103576 /nfs/dbraw/zinc/10/35/76/264103576.db2.gz QTGLVPUDGUIJBL-UHFFFAOYSA-N 1 2 267.333 0.279 20 30 CCEDLO C[C@@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CO1 ZINC000330986718 264103752 /nfs/dbraw/zinc/10/37/52/264103752.db2.gz LNPWJDIBUAPSKB-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO CCNC(=O)N1CC[NH+](CCCc2nc(C)no2)CC1 ZINC000331043232 264107908 /nfs/dbraw/zinc/10/79/08/264107908.db2.gz FUSQKGUOQOQFKF-UHFFFAOYSA-N 1 2 281.360 0.862 20 30 CCEDLO Cc1nc(N2CCN(C(=O)NCCC#N)CC2)cc[nH+]1 ZINC000331173165 264146616 /nfs/dbraw/zinc/14/66/16/264146616.db2.gz WGVXKWWAFBFUMM-UHFFFAOYSA-N 1 2 274.328 0.735 20 30 CCEDLO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1C ZINC000331278485 264170965 /nfs/dbraw/zinc/17/09/65/264170965.db2.gz ZBYIUTSXZFMKCY-UHFFFAOYSA-N 1 2 295.387 0.587 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331256320 264183349 /nfs/dbraw/zinc/18/33/49/264183349.db2.gz ZMSXHJIOLURWGF-LBPRGKRZSA-N 1 2 298.412 0.994 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000333972714 264226570 /nfs/dbraw/zinc/22/65/70/264226570.db2.gz RUQRVOBOVZYNFS-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000333972714 264226572 /nfs/dbraw/zinc/22/65/72/264226572.db2.gz RUQRVOBOVZYNFS-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000128101213 264273976 /nfs/dbraw/zinc/27/39/76/264273976.db2.gz WGDBPOMWGXZPKS-RYUDHWBXSA-N 1 2 294.399 0.555 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)CC(C)C ZINC000073787370 264298809 /nfs/dbraw/zinc/29/88/09/264298809.db2.gz ROAWQWSYTFKHCY-UHFFFAOYSA-N 1 2 267.373 0.549 20 30 CCEDLO CS(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000074980446 264318900 /nfs/dbraw/zinc/31/89/00/264318900.db2.gz NEQXUWXJXHFYBK-UHFFFAOYSA-N 1 2 277.415 0.210 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCOC1 ZINC000162511755 264333201 /nfs/dbraw/zinc/33/32/01/264333201.db2.gz NEANPQSEFKJBGS-ZDUSSCGKSA-N 1 2 281.356 0.097 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000131175147 264367755 /nfs/dbraw/zinc/36/77/55/264367755.db2.gz OFIMJBUUKRZTSK-MGPQQGTHSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000131175147 264367757 /nfs/dbraw/zinc/36/77/57/264367757.db2.gz OFIMJBUUKRZTSK-MGPQQGTHSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000131175147 264367760 /nfs/dbraw/zinc/36/77/60/264367760.db2.gz OFIMJBUUKRZTSK-MGPQQGTHSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000131175147 264367763 /nfs/dbraw/zinc/36/77/63/264367763.db2.gz OFIMJBUUKRZTSK-MGPQQGTHSA-N 1 2 294.399 0.009 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1=O ZINC000281979964 264491358 /nfs/dbraw/zinc/49/13/58/264491358.db2.gz UYRGWYVTXHTSSC-LLVKDONJSA-N 1 2 286.339 0.586 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356164173 266059674 /nfs/dbraw/zinc/05/96/74/266059674.db2.gz MWBZXXWYZOZKLF-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356164173 266059679 /nfs/dbraw/zinc/05/96/79/266059679.db2.gz MWBZXXWYZOZKLF-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356164174 266059998 /nfs/dbraw/zinc/05/99/98/266059998.db2.gz MWBZXXWYZOZKLF-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356164174 266059999 /nfs/dbraw/zinc/05/99/99/266059999.db2.gz MWBZXXWYZOZKLF-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO CCS(=O)(=O)NCCNc1cc(C)[nH+]cc1C#N ZINC000399459222 266341292 /nfs/dbraw/zinc/34/12/92/266341292.db2.gz QSIQHMRRPLXFMU-UHFFFAOYSA-N 1 2 268.342 0.035 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595514 267016098 /nfs/dbraw/zinc/01/60/98/267016098.db2.gz DKLDLMYDBBVDQV-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595514 267016099 /nfs/dbraw/zinc/01/60/99/267016099.db2.gz DKLDLMYDBBVDQV-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCOC3)CC2)C1=O ZINC000369195835 267225088 /nfs/dbraw/zinc/22/50/88/267225088.db2.gz WHKRNCZRRSYIGA-UONOGXRCSA-N 1 2 279.384 0.180 20 30 CCEDLO Cc1cc(NCCCS(C)(=O)=O)c(C#N)c[nH+]1 ZINC000399616948 267300267 /nfs/dbraw/zinc/30/02/67/267300267.db2.gz XUXGTWQLPONBHC-UHFFFAOYSA-N 1 2 253.327 0.530 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)C[N@@H+]1C ZINC000350803824 297043376 /nfs/dbraw/zinc/04/33/76/297043376.db2.gz VPSIRHVGGNUISC-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)C[N@H+]1C ZINC000350803824 297043379 /nfs/dbraw/zinc/04/33/79/297043379.db2.gz VPSIRHVGGNUISC-MNOVXSKESA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C[N@@H+]1C ZINC000428374200 297066450 /nfs/dbraw/zinc/06/64/50/297066450.db2.gz NPTUSAXCFCSHRU-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C[N@H+]1C ZINC000428374200 297066453 /nfs/dbraw/zinc/06/64/53/297066453.db2.gz NPTUSAXCFCSHRU-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339232487 328003017 /nfs/dbraw/zinc/00/30/17/328003017.db2.gz SWRMYPHYYLIEEN-CYBMUJFWSA-N 1 2 276.340 0.658 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339232487 328003018 /nfs/dbraw/zinc/00/30/18/328003018.db2.gz SWRMYPHYYLIEEN-CYBMUJFWSA-N 1 2 276.340 0.658 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000531810473 328039078 /nfs/dbraw/zinc/03/90/78/328039078.db2.gz FGMWKTZMMOIBHL-LLVKDONJSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000563612060 328076771 /nfs/dbraw/zinc/07/67/71/328076771.db2.gz LEKGMEPDFMSRKI-APIJFGDWSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000563612060 328076772 /nfs/dbraw/zinc/07/67/72/328076772.db2.gz LEKGMEPDFMSRKI-APIJFGDWSA-N 1 2 294.395 0.899 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000170886433 329069202 /nfs/dbraw/zinc/06/92/02/329069202.db2.gz IFVDCVQCYXTTJU-MNOVXSKESA-N 1 2 271.386 0.469 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425289299 328099513 /nfs/dbraw/zinc/09/95/13/328099513.db2.gz CXMPGJXRFVHAQU-GXTWGEPZSA-N 1 2 270.373 0.398 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000184480449 328532086 /nfs/dbraw/zinc/53/20/86/328532086.db2.gz NBGITTXHOOBTLV-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000565829448 327028668 /nfs/dbraw/zinc/02/86/68/327028668.db2.gz QMYOJKOTDYRFFG-SNVBAGLBSA-N 1 2 286.339 0.865 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000565829448 327028669 /nfs/dbraw/zinc/02/86/69/327028669.db2.gz QMYOJKOTDYRFFG-SNVBAGLBSA-N 1 2 286.339 0.865 20 30 CCEDLO Cc1nn(C)cc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577283134 327257075 /nfs/dbraw/zinc/25/70/75/327257075.db2.gz LZNURARQMVAOAZ-CYBMUJFWSA-N 1 2 263.345 0.231 20 30 CCEDLO Cc1nc2ccnn2cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569931537 327556899 /nfs/dbraw/zinc/55/68/99/327556899.db2.gz BRFKBABHAJUNJN-AWEZNQCLSA-N 1 2 286.339 0.611 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)CCCC#N ZINC000171766689 329080070 /nfs/dbraw/zinc/08/00/70/329080070.db2.gz RBCHYTFOGCBUMW-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)CCCC#N ZINC000171766689 329080072 /nfs/dbraw/zinc/08/00/72/329080072.db2.gz RBCHYTFOGCBUMW-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141539 329266530 /nfs/dbraw/zinc/26/65/30/329266530.db2.gz SQKUGJOVYUKEFT-TZMCWYRMSA-N 1 2 281.356 0.238 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141539 329266532 /nfs/dbraw/zinc/26/65/32/329266532.db2.gz SQKUGJOVYUKEFT-TZMCWYRMSA-N 1 2 281.356 0.238 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000185425159 329273510 /nfs/dbraw/zinc/27/35/10/329273510.db2.gz MPIOMEBQLJPLHV-UHFFFAOYSA-N 1 2 252.358 0.971 20 30 CCEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000128101478 329604844 /nfs/dbraw/zinc/60/48/44/329604844.db2.gz WGDBPOMWGXZPKS-NEPJUHHUSA-N 1 2 294.399 0.555 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135011843 329662571 /nfs/dbraw/zinc/66/25/71/329662571.db2.gz HAHPXYCFAHUQTN-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCN1C(=O)C(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000071805904 329856867 /nfs/dbraw/zinc/85/68/67/329856867.db2.gz PWEDUACFGXEXHP-UHFFFAOYSA-N 1 2 284.275 0.811 20 30 CCEDLO CC(C)CNC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686458 329968709 /nfs/dbraw/zinc/96/87/09/329968709.db2.gz OZVYDESKGRORIR-UHFFFAOYSA-N 1 2 296.415 0.306 20 30 CCEDLO CC(C)OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687416 329968725 /nfs/dbraw/zinc/96/87/25/329968725.db2.gz LADQFVXTVPMGRH-UHFFFAOYSA-N 1 2 269.389 0.959 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1ncc(Br)cn1 ZINC000432985180 330611760 /nfs/dbraw/zinc/61/17/60/330611760.db2.gz PKQOQYKVNKBMEC-SSDOTTSWSA-N 1 2 298.144 0.529 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000457209353 331216123 /nfs/dbraw/zinc/21/61/23/331216123.db2.gz YRNVPQSOWZOOEZ-LLVKDONJSA-N 1 2 271.386 0.422 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccn(C(C)C)n2)CC1 ZINC000490739416 332110227 /nfs/dbraw/zinc/11/02/27/332110227.db2.gz DJOREURLSBQCLS-UHFFFAOYSA-N 1 2 289.383 0.075 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2cccc(C#C)c2)CC1 ZINC000490741513 332111850 /nfs/dbraw/zinc/11/18/50/332111850.db2.gz SEOUREAAUPDGSB-UHFFFAOYSA-N 1 2 295.386 0.882 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3occc3c2=O)CC1 ZINC000490763826 332114146 /nfs/dbraw/zinc/11/41/46/332114146.db2.gz XELNENUUCJJGNG-UHFFFAOYSA-N 1 2 299.330 0.372 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2Cl)CC1 ZINC000490781343 332115701 /nfs/dbraw/zinc/11/57/01/332115701.db2.gz ZJHCOAUZINTWGE-UHFFFAOYSA-N 1 2 293.754 0.891 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(F)(F)F)CC1 ZINC000490850965 332120218 /nfs/dbraw/zinc/12/02/18/332120218.db2.gz CTCVYVQQUZFTLR-UHFFFAOYSA-N 1 2 277.290 0.258 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000491409162 332207087 /nfs/dbraw/zinc/20/70/87/332207087.db2.gz YTCAETAJSVZZSJ-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000491409162 332207088 /nfs/dbraw/zinc/20/70/88/332207088.db2.gz YTCAETAJSVZZSJ-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491497134 332223672 /nfs/dbraw/zinc/22/36/72/332223672.db2.gz VUFOJRFBFYEGHW-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000491515688 332227288 /nfs/dbraw/zinc/22/72/88/332227288.db2.gz PCXLSPKYGSETQC-OLZOCXBDSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000491515688 332227289 /nfs/dbraw/zinc/22/72/89/332227289.db2.gz PCXLSPKYGSETQC-OLZOCXBDSA-N 1 2 271.382 0.535 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491627046 332250475 /nfs/dbraw/zinc/25/04/75/332250475.db2.gz JOJQMOWSOORFDJ-SECBINFHSA-N 1 2 261.281 0.509 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000491696041 332291532 /nfs/dbraw/zinc/29/15/32/332291532.db2.gz ILJMOPDJAFUTMA-AAEUAGOBSA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000491696041 332291533 /nfs/dbraw/zinc/29/15/33/332291533.db2.gz ILJMOPDJAFUTMA-AAEUAGOBSA-N 1 2 268.382 0.332 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000491703399 332297345 /nfs/dbraw/zinc/29/73/45/332297345.db2.gz ATUPHMNBKATSAL-UHFFFAOYSA-N 1 2 291.326 0.599 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000491703399 332297347 /nfs/dbraw/zinc/29/73/47/332297347.db2.gz ATUPHMNBKATSAL-UHFFFAOYSA-N 1 2 291.326 0.599 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H]3CCC[C@H]3C2=O)CC1 ZINC000491707000 332299907 /nfs/dbraw/zinc/29/99/07/332299907.db2.gz KZMVHIVANVCXEL-UONOGXRCSA-N 1 2 261.369 0.453 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491778664 332343761 /nfs/dbraw/zinc/34/37/61/332343761.db2.gz HTNKSXUHEKXLGP-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491778664 332343763 /nfs/dbraw/zinc/34/37/63/332343763.db2.gz HTNKSXUHEKXLGP-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491806496 332359860 /nfs/dbraw/zinc/35/98/60/332359860.db2.gz ADEYESRECFWSQK-ZFWWWQNUSA-N 1 2 259.353 0.998 20 30 CCEDLO C#C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)C(C)C ZINC000491810715 332363288 /nfs/dbraw/zinc/36/32/88/332363288.db2.gz AGVCTALCZVRPFP-CYBMUJFWSA-N 1 2 267.373 0.618 20 30 CCEDLO COc1ncc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000493152585 332428310 /nfs/dbraw/zinc/42/83/10/332428310.db2.gz KPHOTEQPIZMGJH-GEXIGZQTSA-N 1 2 289.339 0.458 20 30 CCEDLO CCn1nccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493708455 332450645 /nfs/dbraw/zinc/45/06/45/332450645.db2.gz ADWSLKNHRWJBLB-PSKZRQQASA-N 1 2 275.356 0.876 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000575759200 335112635 /nfs/dbraw/zinc/11/26/35/335112635.db2.gz LYLWIAGMDULECX-ZDUSSCGKSA-N 1 2 279.727 0.946 20 30 CCEDLO CCc1nnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000174830961 333008191 /nfs/dbraw/zinc/00/81/91/333008191.db2.gz JPIUIQADZHLNPX-UHFFFAOYSA-N 1 2 293.371 0.680 20 30 CCEDLO N#CCCN(CCOCC(F)F)CC[NH+]1CCOCC1 ZINC000189498908 333193769 /nfs/dbraw/zinc/19/37/69/333193769.db2.gz INRDLFUOSGCGSC-UHFFFAOYSA-N 1 2 291.342 0.816 20 30 CCEDLO C#CCNC(=O)[C@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195316164 333250077 /nfs/dbraw/zinc/25/00/77/333250077.db2.gz BGLMNTMWOKGHQP-MJBXVCDLSA-N 1 2 281.400 0.165 20 30 CCEDLO C#CCNC(=O)[C@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195316164 333250079 /nfs/dbraw/zinc/25/00/79/333250079.db2.gz BGLMNTMWOKGHQP-MJBXVCDLSA-N 1 2 281.400 0.165 20 30 CCEDLO C=CCSCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000194628070 333273678 /nfs/dbraw/zinc/27/36/78/333273678.db2.gz PALJHUDWMNFBIK-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000548866200 334177453 /nfs/dbraw/zinc/17/74/53/334177453.db2.gz DNDYDSNDKCELLM-LBPRGKRZSA-N 1 2 270.336 0.827 20 30 CCEDLO N#CCCN(CCCCCO)CC[NH+]1CCOCC1 ZINC000081158583 334179712 /nfs/dbraw/zinc/17/97/12/334179712.db2.gz WMYXHIFNTSKPRI-UHFFFAOYSA-N 1 2 269.389 0.697 20 30 CCEDLO COC(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000573095073 334907944 /nfs/dbraw/zinc/90/79/44/334907944.db2.gz WCMVHVKAKFAXAV-CYBMUJFWSA-N 1 2 279.296 0.640 20 30 CCEDLO C=CCCn1cc(C(=O)NCCc2c[nH+]cn2C)nn1 ZINC000580545302 335272271 /nfs/dbraw/zinc/27/22/71/335272271.db2.gz QMBSWJPDCIKAIK-UHFFFAOYSA-N 1 2 274.328 0.560 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)c(C)[nH+]1 ZINC000179995998 335539124 /nfs/dbraw/zinc/53/91/24/335539124.db2.gz NLRQGTZJEXNVHK-QMMMGPOBSA-N 1 2 260.297 0.913 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181639928 335775829 /nfs/dbraw/zinc/77/58/29/335775829.db2.gz CPWQCHWMVAFOMR-UHFFFAOYSA-N 1 2 284.319 0.904 20 30 CCEDLO CN1C(=O)CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000386180483 336167629 /nfs/dbraw/zinc/16/76/29/336167629.db2.gz HNVQCMYAPLDHNU-QMMMGPOBSA-N 1 2 264.310 0.252 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330361132 534753326 /nfs/dbraw/zinc/75/33/26/534753326.db2.gz XYVZGTMIHPHIPR-LLVKDONJSA-N 1 2 294.355 0.550 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332668650 526637490 /nfs/dbraw/zinc/63/74/90/526637490.db2.gz BBDRODVIWFPHNI-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332668650 526637493 /nfs/dbraw/zinc/63/74/93/526637493.db2.gz BBDRODVIWFPHNI-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1 ZINC000112554359 526654641 /nfs/dbraw/zinc/65/46/41/526654641.db2.gz GTQWXWPMVAMKAV-ZDUSSCGKSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000112554359 526654644 /nfs/dbraw/zinc/65/46/44/526654644.db2.gz GTQWXWPMVAMKAV-ZDUSSCGKSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000666512512 545124629 /nfs/dbraw/zinc/12/46/29/545124629.db2.gz DQFLRDAVDQMGFY-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000666512512 545124630 /nfs/dbraw/zinc/12/46/30/545124630.db2.gz DQFLRDAVDQMGFY-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000667814951 545156697 /nfs/dbraw/zinc/15/66/97/545156697.db2.gz FSZLZKVWBDJQBA-GXTWGEPZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000667814951 545156698 /nfs/dbraw/zinc/15/66/98/545156698.db2.gz FSZLZKVWBDJQBA-GXTWGEPZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C[C@H](O)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000667874058 545158155 /nfs/dbraw/zinc/15/81/55/545158155.db2.gz VZULAWASQZNKEN-QMMMGPOBSA-N 1 2 268.317 0.029 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106428 545163778 /nfs/dbraw/zinc/16/37/78/545163778.db2.gz BCUVJUFUGTWNJL-JTQLQIEISA-N 1 2 277.246 0.999 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333825158 527474124 /nfs/dbraw/zinc/47/41/24/527474124.db2.gz KNMSHVYVAVVQFC-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333825158 527474131 /nfs/dbraw/zinc/47/41/31/527474131.db2.gz KNMSHVYVAVVQFC-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000668253620 545169456 /nfs/dbraw/zinc/16/94/56/545169456.db2.gz HSXXBQWGQLGHRJ-JSGCOSHPSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000668253620 545169457 /nfs/dbraw/zinc/16/94/57/545169457.db2.gz HSXXBQWGQLGHRJ-JSGCOSHPSA-N 1 2 297.399 0.294 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000329044921 527717119 /nfs/dbraw/zinc/71/71/19/527717119.db2.gz JGHQZAMAXWGHMB-CHWSQXEVSA-N 1 2 285.388 0.384 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668759498 545189912 /nfs/dbraw/zinc/18/99/12/545189912.db2.gz YBORFQUZMVVFQM-ZDUSSCGKSA-N 1 2 276.340 0.737 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC000347243003 527904454 /nfs/dbraw/zinc/90/44/54/527904454.db2.gz YKRMVBCXJZTXGI-SECBINFHSA-N 1 2 293.289 0.794 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC000347243003 527904458 /nfs/dbraw/zinc/90/44/58/527904458.db2.gz YKRMVBCXJZTXGI-SECBINFHSA-N 1 2 293.289 0.794 20 30 CCEDLO CCC(=O)N1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000330027769 528332249 /nfs/dbraw/zinc/33/22/49/528332249.db2.gz NNGXSGLLPWZWOP-LLVKDONJSA-N 1 2 291.355 0.624 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668219 528617722 /nfs/dbraw/zinc/61/77/22/528617722.db2.gz QLDXXHQEEJPTEX-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668219 528617726 /nfs/dbraw/zinc/61/77/26/528617726.db2.gz QLDXXHQEEJPTEX-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO CCS(=O)(=O)C1CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425273876 528780416 /nfs/dbraw/zinc/78/04/16/528780416.db2.gz YYEUFUZDILIEJC-UHFFFAOYSA-N 1 2 265.338 0.885 20 30 CCEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NO)CC2)cc1 ZINC000671996666 545261543 /nfs/dbraw/zinc/26/15/43/545261543.db2.gz UVLXIJRGPLWBMY-NSHDSACASA-N 1 2 279.340 0.711 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2cnc(C#N)cn2)CCO1 ZINC000362678849 535858672 /nfs/dbraw/zinc/85/86/72/535858672.db2.gz CSHVGMJNFOFLGR-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2cnc(C#N)cn2)CCO1 ZINC000362678849 535858678 /nfs/dbraw/zinc/85/86/78/535858678.db2.gz CSHVGMJNFOFLGR-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO COc1cc(C#N)cc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000314763372 536876654 /nfs/dbraw/zinc/87/66/54/536876654.db2.gz RIHGCUSDHDUMKU-ZDUSSCGKSA-N 1 2 292.335 0.639 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000777816479 581135128 /nfs/dbraw/zinc/13/51/28/581135128.db2.gz WCAHYRDLJILCLI-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777731355 581131505 /nfs/dbraw/zinc/13/15/05/581131505.db2.gz REEFRKXHWNQYKH-CQSZACIVSA-N 1 2 277.299 0.359 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777731355 581131506 /nfs/dbraw/zinc/13/15/06/581131506.db2.gz REEFRKXHWNQYKH-CQSZACIVSA-N 1 2 277.299 0.359 20 30 CCEDLO C#CCCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000789045303 581132018 /nfs/dbraw/zinc/13/20/18/581132018.db2.gz NREYULNLRVEQMQ-ZDUSSCGKSA-N 1 2 267.373 0.762 20 30 CCEDLO CC[N@@H+](CC(=O)NCCC#N)C[C@@H](O)C(F)(F)F ZINC000778199443 581144880 /nfs/dbraw/zinc/14/48/80/581144880.db2.gz ZHYPUSJBNUBLIA-MRVPVSSYSA-N 1 2 267.251 0.261 20 30 CCEDLO CC[N@H+](CC(=O)NCCC#N)C[C@@H](O)C(F)(F)F ZINC000778199443 581144881 /nfs/dbraw/zinc/14/48/81/581144881.db2.gz ZHYPUSJBNUBLIA-MRVPVSSYSA-N 1 2 267.251 0.261 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(-c3cccnc3)[nH]n2)N1 ZINC000779799256 581206616 /nfs/dbraw/zinc/20/66/16/581206616.db2.gz JOEJUPFEJPEOQC-SECBINFHSA-N 1 2 269.312 0.743 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000780941861 581250816 /nfs/dbraw/zinc/25/08/16/581250816.db2.gz WIZYAECIQAAMNV-GFCCVEGCSA-N 1 2 256.265 0.631 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792374826 581260159 /nfs/dbraw/zinc/26/01/59/581260159.db2.gz CYSSEQUXAZRZBX-LBPRGKRZSA-N 1 2 268.357 0.790 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792374826 581260161 /nfs/dbraw/zinc/26/01/61/581260161.db2.gz CYSSEQUXAZRZBX-LBPRGKRZSA-N 1 2 268.357 0.790 20 30 CCEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)nc1 ZINC000781596929 581272754 /nfs/dbraw/zinc/27/27/54/581272754.db2.gz OMGNGMUQTNMEGA-UHFFFAOYSA-N 1 2 272.268 0.686 20 30 CCEDLO C[C@H](CO)NN=Cc1ccc(C=[NH+]N[C@H](C)CO)cc1 ZINC000749821573 581307935 /nfs/dbraw/zinc/30/79/35/581307935.db2.gz PZBHDQIZPIGBBO-VXGBXAGGSA-N 1 2 278.356 0.295 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782618380 581314526 /nfs/dbraw/zinc/31/45/26/581314526.db2.gz BDKZCVBNNYLPNH-GZBFAFLISA-N 1 2 271.320 0.399 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782618380 581314529 /nfs/dbraw/zinc/31/45/29/581314529.db2.gz BDKZCVBNNYLPNH-GZBFAFLISA-N 1 2 271.320 0.399 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000783075253 581335335 /nfs/dbraw/zinc/33/53/35/581335335.db2.gz OEYCTNINBZBHGE-UHFFFAOYSA-N 1 2 297.380 0.843 20 30 CCEDLO C=C(C)COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658683 581414427 /nfs/dbraw/zinc/41/44/27/581414427.db2.gz KVCMBPPRZFYENM-ZDUSSCGKSA-N 1 2 296.367 0.286 20 30 CCEDLO CC1CC(C#N)(C(=O)OCC[NH+]2CCOCC2)C1 ZINC000767427408 581613625 /nfs/dbraw/zinc/61/36/25/581613625.db2.gz KRSSSQCLRWOLJU-UHFFFAOYSA-N 1 2 252.314 0.802 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000755055094 581623538 /nfs/dbraw/zinc/62/35/38/581623538.db2.gz WHEALAPGMBULTP-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000755055094 581623540 /nfs/dbraw/zinc/62/35/40/581623540.db2.gz WHEALAPGMBULTP-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO Cc1cccn2c(C=NN3CC(=O)NC3=O)c[nH+]c12 ZINC000755611387 581648283 /nfs/dbraw/zinc/64/82/83/581648283.db2.gz MAPXWSLVBJMIOI-UHFFFAOYSA-N 1 2 257.253 0.528 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NC1CCCC1 ZINC000730282325 581690953 /nfs/dbraw/zinc/69/09/53/581690953.db2.gz DZOPBPCKAMMYJF-ZDUSSCGKSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NC1CCCC1 ZINC000730282325 581690955 /nfs/dbraw/zinc/69/09/55/581690955.db2.gz DZOPBPCKAMMYJF-ZDUSSCGKSA-N 1 2 277.368 0.259 20 30 CCEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000757286830 581699793 /nfs/dbraw/zinc/69/97/93/581699793.db2.gz PKBGCXVHEVOVIC-JTQLQIEISA-N 1 2 285.307 0.897 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000757627855 581704932 /nfs/dbraw/zinc/70/49/32/581704932.db2.gz HLULOXDRRCVODZ-NSHDSACASA-N 1 2 261.325 0.660 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000757627855 581704935 /nfs/dbraw/zinc/70/49/35/581704935.db2.gz HLULOXDRRCVODZ-NSHDSACASA-N 1 2 261.325 0.660 20 30 CCEDLO CCOC(=O)C[N@H+](CC(=O)NCCC#N)C(C)(C)C ZINC000769944230 581715490 /nfs/dbraw/zinc/71/54/90/581715490.db2.gz SVFPVNOKKDXRQV-UHFFFAOYSA-N 1 2 269.345 0.680 20 30 CCEDLO CCOC(=O)C[N@@H+](CC(=O)NCCC#N)C(C)(C)C ZINC000769944230 581715491 /nfs/dbraw/zinc/71/54/91/581715491.db2.gz SVFPVNOKKDXRQV-UHFFFAOYSA-N 1 2 269.345 0.680 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190277 581725566 /nfs/dbraw/zinc/72/55/66/581725566.db2.gz LBAKPGAWDKCCKU-NSHDSACASA-N 1 2 261.281 0.172 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190277 581725567 /nfs/dbraw/zinc/72/55/67/581725567.db2.gz LBAKPGAWDKCCKU-NSHDSACASA-N 1 2 261.281 0.172 20 30 CCEDLO C#CCNC(=S)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000758187551 581725658 /nfs/dbraw/zinc/72/56/58/581725658.db2.gz WOIZXZLEAXPHDB-UHFFFAOYSA-N 1 2 271.349 0.865 20 30 CCEDLO COCCOC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758224235 581728879 /nfs/dbraw/zinc/72/88/79/581728879.db2.gz RXFJOVXAAAYNCJ-UHFFFAOYSA-N 1 2 291.351 0.805 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731845080 581783279 /nfs/dbraw/zinc/78/32/79/581783279.db2.gz XFTGNGPTIPPQAP-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731845080 581783281 /nfs/dbraw/zinc/78/32/81/581783281.db2.gz XFTGNGPTIPPQAP-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO C=CC[NH+]1CCC(NC(=O)C[C@H]2SC(=N)NC2=O)CC1 ZINC000742641692 581789511 /nfs/dbraw/zinc/78/95/11/581789511.db2.gz DFPPWSFDHFMXDK-SNVBAGLBSA-N 1 2 296.396 0.309 20 30 CCEDLO N#CCCNC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000732351011 581820517 /nfs/dbraw/zinc/82/05/17/581820517.db2.gz SIVPZXJJRUABCE-UHFFFAOYSA-N 1 2 272.264 0.521 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\C2CCOCC2)CC1 ZINC000733162188 581869535 /nfs/dbraw/zinc/86/95/35/581869535.db2.gz JIHNBKMMPIWGHC-ARJAWSKDSA-N 1 2 262.353 0.747 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2nccn3cc(C)nc23)CC1 ZINC000761885840 581925156 /nfs/dbraw/zinc/92/51/56/581925156.db2.gz VKHRPWKKCBWDST-UHFFFAOYSA-N 1 2 283.335 0.429 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000747824194 581953895 /nfs/dbraw/zinc/95/38/95/581953895.db2.gz GOLLBVFFBBCDBM-UHFFFAOYSA-N 1 2 263.272 0.520 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCc2ccccc2C1=O ZINC000762646614 581954892 /nfs/dbraw/zinc/95/48/92/581954892.db2.gz XVVGSTODVIYCRM-HNNXBMFYSA-N 1 2 297.358 0.814 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCc2ccccc2C1=O ZINC000762646614 581954893 /nfs/dbraw/zinc/95/48/93/581954893.db2.gz XVVGSTODVIYCRM-HNNXBMFYSA-N 1 2 297.358 0.814 20 30 CCEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748455175 581976735 /nfs/dbraw/zinc/97/67/35/581976735.db2.gz FCZHLTIRZOBAGF-ZDUSSCGKSA-N 1 2 296.367 0.451 20 30 CCEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748455175 581976737 /nfs/dbraw/zinc/97/67/37/581976737.db2.gz FCZHLTIRZOBAGF-ZDUSSCGKSA-N 1 2 296.367 0.451 20 30 CCEDLO COCC1=CC[N@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000774644133 581985904 /nfs/dbraw/zinc/98/59/04/581985904.db2.gz JIMLSCMDUHELMV-UHFFFAOYSA-N 1 2 259.309 0.956 20 30 CCEDLO COCC1=CC[N@@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000774644133 581985906 /nfs/dbraw/zinc/98/59/06/581985906.db2.gz JIMLSCMDUHELMV-UHFFFAOYSA-N 1 2 259.309 0.956 20 30 CCEDLO C=CC[N@H+](CCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000749299671 582002529 /nfs/dbraw/zinc/00/25/29/582002529.db2.gz WVHDQQXVMQMXPV-LLVKDONJSA-N 1 2 288.369 0.114 20 30 CCEDLO C=CC[N@@H+](CCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000749299671 582002530 /nfs/dbraw/zinc/00/25/30/582002530.db2.gz WVHDQQXVMQMXPV-LLVKDONJSA-N 1 2 288.369 0.114 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)[C@H]1CCCO1 ZINC000775344265 582020059 /nfs/dbraw/zinc/02/00/59/582020059.db2.gz GBGSCRGXGLYXJV-HZPDHXFCSA-N 1 2 297.362 0.992 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000750164873 582036609 /nfs/dbraw/zinc/03/66/09/582036609.db2.gz LOWDGYPAHZAUAO-UHFFFAOYSA-N 1 2 288.273 0.620 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000750164873 582036613 /nfs/dbraw/zinc/03/66/13/582036613.db2.gz LOWDGYPAHZAUAO-UHFFFAOYSA-N 1 2 288.273 0.620 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000776001328 582048762 /nfs/dbraw/zinc/04/87/62/582048762.db2.gz IIJWVBVPZPPEHA-LBPRGKRZSA-N 1 2 268.361 0.172 20 30 CCEDLO Nc1[nH+]cccc1C=NNS(=O)(=O)c1ccccc1 ZINC000764658048 582061570 /nfs/dbraw/zinc/06/15/70/582061570.db2.gz KZWQKYKDWMKLBQ-UHFFFAOYSA-N 1 2 276.321 0.976 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cncn2CC)CC1 ZINC000751242797 582072748 /nfs/dbraw/zinc/07/27/48/582072748.db2.gz HKRALPWAABDSNW-UHFFFAOYSA-N 1 2 296.396 0.233 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000776590610 582082285 /nfs/dbraw/zinc/08/22/85/582082285.db2.gz FDLOSFQVTOLDQF-SFHVURJKSA-N 1 2 271.430 0.922 20 30 CCEDLO C[S@](=O)CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000776590610 582082287 /nfs/dbraw/zinc/08/22/87/582082287.db2.gz FDLOSFQVTOLDQF-SFHVURJKSA-N 1 2 271.430 0.922 20 30 CCEDLO C=C(Br)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000832783937 613235390 /nfs/dbraw/zinc/23/53/90/613235390.db2.gz UPDBTUCQBCTCHK-JTQLQIEISA-N 1 2 263.179 0.893 20 30 CCEDLO C=C(Br)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000832783937 613235392 /nfs/dbraw/zinc/23/53/92/613235392.db2.gz UPDBTUCQBCTCHK-JTQLQIEISA-N 1 2 263.179 0.893 20 30 CCEDLO C#C[C@@](C)(CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000867320785 613113232 /nfs/dbraw/zinc/11/32/32/613113232.db2.gz BVTZCTUYCOPOFT-ZDUSSCGKSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CCCN(CCOC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000882422372 612989654 /nfs/dbraw/zinc/98/96/54/612989654.db2.gz RJRAUNHLMFQVMW-UHFFFAOYSA-N 1 2 285.369 0.185 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C)cn2)C1 ZINC000949890965 612992559 /nfs/dbraw/zinc/99/25/59/612992559.db2.gz GNRLBEVLQCHVHG-UHFFFAOYSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855408175 613001253 /nfs/dbraw/zinc/00/12/53/613001253.db2.gz QYZMAGYKUREHNA-RWMBFGLXSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855408175 613001255 /nfs/dbraw/zinc/00/12/55/613001255.db2.gz QYZMAGYKUREHNA-RWMBFGLXSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000883336387 612947668 /nfs/dbraw/zinc/94/76/68/612947668.db2.gz MMBDPZODTYEOCS-RYUDHWBXSA-N 1 2 283.347 0.462 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103687 612950128 /nfs/dbraw/zinc/95/01/28/612950128.db2.gz IOBYISADRGXMLK-NSHDSACASA-N 1 2 288.347 0.897 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103687 612950129 /nfs/dbraw/zinc/95/01/29/612950129.db2.gz IOBYISADRGXMLK-NSHDSACASA-N 1 2 288.347 0.897 20 30 CCEDLO N#CCNC1CC2(C1)CC(NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000965591252 649934726 /nfs/dbraw/zinc/93/47/26/649934726.db2.gz WJMJEZZTBIUAJH-UHFFFAOYSA-N 1 2 273.340 0.493 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000858283820 613035026 /nfs/dbraw/zinc/03/50/26/613035026.db2.gz SAZRDEMMTKHFBL-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000858283820 613035028 /nfs/dbraw/zinc/03/50/28/613035028.db2.gz SAZRDEMMTKHFBL-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858154304 613035763 /nfs/dbraw/zinc/03/57/63/613035763.db2.gz CSUUKTVDDLBJST-RYUDHWBXSA-N 1 2 264.329 0.609 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](C)C[C@H]2C)o1 ZINC000822424667 606462370 /nfs/dbraw/zinc/46/23/70/606462370.db2.gz YOWGQZHDQWCEAU-ZCFIWIBFSA-N 1 2 276.304 0.513 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](C)C[C@H]2C)o1 ZINC000822424667 606462371 /nfs/dbraw/zinc/46/23/71/606462371.db2.gz YOWGQZHDQWCEAU-ZCFIWIBFSA-N 1 2 276.304 0.513 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000799074495 613058120 /nfs/dbraw/zinc/05/81/20/613058120.db2.gz JUJVBBPNHKECIO-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[NH+](CC#C)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929757204 613099144 /nfs/dbraw/zinc/09/91/44/613099144.db2.gz FOVBKTAXMHANOO-ZDUSSCGKSA-N 1 2 256.309 0.134 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC ZINC000905760972 613419225 /nfs/dbraw/zinc/41/92/25/613419225.db2.gz WDPMQCYUJDYKNA-LBPRGKRZSA-N 1 2 251.330 0.682 20 30 CCEDLO C#CCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463988 612974594 /nfs/dbraw/zinc/97/45/94/612974594.db2.gz ZBHLYVHFAHXBLV-ZDUSSCGKSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870063158 612974824 /nfs/dbraw/zinc/97/48/24/612974824.db2.gz VTPKHIBUWIZECZ-AWEZNQCLSA-N 1 2 280.368 0.350 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000828477692 614325848 /nfs/dbraw/zinc/32/58/48/614325848.db2.gz HBYBRJWUPKOMEU-UHFFFAOYSA-N 1 2 275.356 0.082 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198057 617300579 /nfs/dbraw/zinc/30/05/79/617300579.db2.gz KJLHYAIOHWQNFT-JTQLQIEISA-N 1 2 291.355 0.244 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198057 617300580 /nfs/dbraw/zinc/30/05/80/617300580.db2.gz KJLHYAIOHWQNFT-JTQLQIEISA-N 1 2 291.355 0.244 20 30 CCEDLO C#CC1(O)C[NH+](C[C@H](O)P(=O)(OCC)OCC)C1 ZINC000934450751 612960796 /nfs/dbraw/zinc/96/07/96/612960796.db2.gz QJWPSJWVQTVRHV-SNVBAGLBSA-N 1 2 277.257 0.251 20 30 CCEDLO C#CCCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875239207 612980309 /nfs/dbraw/zinc/98/03/09/612980309.db2.gz ABCQOHCMYSHMNF-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875239207 612980311 /nfs/dbraw/zinc/98/03/11/612980311.db2.gz ABCQOHCMYSHMNF-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000851713766 612983645 /nfs/dbraw/zinc/98/36/45/612983645.db2.gz AFXRYAZXQRDKKX-UHFFFAOYSA-N 1 2 265.357 0.470 20 30 CCEDLO C#CCOCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000851840080 612984805 /nfs/dbraw/zinc/98/48/05/612984805.db2.gz NFNRYSYJVLDJEL-AWEZNQCLSA-N 1 2 258.321 0.721 20 30 CCEDLO C#CCOCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000851840080 612984807 /nfs/dbraw/zinc/98/48/07/612984807.db2.gz NFNRYSYJVLDJEL-AWEZNQCLSA-N 1 2 258.321 0.721 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C)C1 ZINC000951104976 612991770 /nfs/dbraw/zinc/99/17/70/612991770.db2.gz JNTOBACDFSYUSD-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccnc2N)C1 ZINC000949808783 612993488 /nfs/dbraw/zinc/99/34/88/612993488.db2.gz OUXWFEUSYSZZHE-UHFFFAOYSA-N 1 2 273.340 0.228 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000887709410 613046085 /nfs/dbraw/zinc/04/60/85/613046085.db2.gz HSQLWMLRFAIFRR-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805113080 613047397 /nfs/dbraw/zinc/04/73/97/613047397.db2.gz STLCQLGHDNMMNG-OLZOCXBDSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897657392 613055610 /nfs/dbraw/zinc/05/56/10/613055610.db2.gz QQUAYFIYROPTKE-GFCCVEGCSA-N 1 2 263.341 0.817 20 30 CCEDLO C#CCn1cc(CNC(=O)CCCn2cc[nH+]c2)cn1 ZINC000816371943 613076678 /nfs/dbraw/zinc/07/66/78/613076678.db2.gz QJHLWGCRLFMXLQ-UHFFFAOYSA-N 1 2 271.324 0.809 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCc2cnccn2)n1 ZINC000878526802 613078875 /nfs/dbraw/zinc/07/88/75/613078875.db2.gz XMFSOLJUMDNRRO-UHFFFAOYSA-N 1 2 299.378 0.997 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCc2cnccn2)n1 ZINC000878526802 613078877 /nfs/dbraw/zinc/07/88/77/613078877.db2.gz XMFSOLJUMDNRRO-UHFFFAOYSA-N 1 2 299.378 0.997 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812020425 613079308 /nfs/dbraw/zinc/07/93/08/613079308.db2.gz AZUIOAYZFYMUKF-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812020425 613079309 /nfs/dbraw/zinc/07/93/09/613079309.db2.gz AZUIOAYZFYMUKF-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000971539052 613093053 /nfs/dbraw/zinc/09/30/53/613093053.db2.gz JDLOQPXIHLMRDP-STQMWFEESA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000971539052 613093055 /nfs/dbraw/zinc/09/30/55/613093055.db2.gz JDLOQPXIHLMRDP-STQMWFEESA-N 1 2 286.379 0.996 20 30 CCEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@H]1CCCO1 ZINC000838556158 613095842 /nfs/dbraw/zinc/09/58/42/613095842.db2.gz KWIVBWKZFLDTOJ-CHWSQXEVSA-N 1 2 276.340 0.443 20 30 CCEDLO C#CCN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000882070798 613097823 /nfs/dbraw/zinc/09/78/23/613097823.db2.gz DFADQVDGAUPAIX-UHFFFAOYSA-N 1 2 253.327 0.311 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894033505 613100496 /nfs/dbraw/zinc/10/04/96/613100496.db2.gz GCSVGLWPVRLQMP-MNOVXSKESA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894033505 613100498 /nfs/dbraw/zinc/10/04/98/613100498.db2.gz GCSVGLWPVRLQMP-MNOVXSKESA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CCC(OC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000851839743 613106956 /nfs/dbraw/zinc/10/69/56/613106956.db2.gz CKMMTZNRPBBWGX-LLVKDONJSA-N 1 2 275.370 0.118 20 30 CCEDLO C#CC[N@H+](CCC(OC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000851839743 613106959 /nfs/dbraw/zinc/10/69/59/613106959.db2.gz CKMMTZNRPBBWGX-LLVKDONJSA-N 1 2 275.370 0.118 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC000941401277 613115225 /nfs/dbraw/zinc/11/52/25/613115225.db2.gz ZXYIISSZPQFBCT-LBPRGKRZSA-N 1 2 283.322 0.103 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)no3)CC2)C1 ZINC000941310329 613115470 /nfs/dbraw/zinc/11/54/70/613115470.db2.gz JSZDPVROUSGDDT-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000968874400 613145612 /nfs/dbraw/zinc/14/56/12/613145612.db2.gz KUODPUGMPHVPOH-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000968874400 613145613 /nfs/dbraw/zinc/14/56/13/613145613.db2.gz KUODPUGMPHVPOH-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000982095591 613150103 /nfs/dbraw/zinc/15/01/03/613150103.db2.gz ASZQAUHIUHCPPW-CQSZACIVSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000982095591 613150104 /nfs/dbraw/zinc/15/01/04/613150104.db2.gz ASZQAUHIUHCPPW-CQSZACIVSA-N 1 2 291.395 0.412 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000892871707 613155127 /nfs/dbraw/zinc/15/51/27/613155127.db2.gz OKRMQBQUYSWDNO-CABCVRRESA-N 1 2 292.427 0.820 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCOC)C1 ZINC000885511620 613175904 /nfs/dbraw/zinc/17/59/04/613175904.db2.gz LERKVQGBQMNQNF-GFCCVEGCSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCOC)C1 ZINC000885511620 613175905 /nfs/dbraw/zinc/17/59/05/613175905.db2.gz LERKVQGBQMNQNF-GFCCVEGCSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC000923566981 613164637 /nfs/dbraw/zinc/16/46/37/613164637.db2.gz VLZLYOBXVMWQOH-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC000923566981 613164638 /nfs/dbraw/zinc/16/46/38/613164638.db2.gz VLZLYOBXVMWQOH-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000923573483 613173831 /nfs/dbraw/zinc/17/38/31/613173831.db2.gz NMKKKYXCNSPGMF-GFCCVEGCSA-N 1 2 273.336 0.511 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000923573483 613173832 /nfs/dbraw/zinc/17/38/32/613173832.db2.gz NMKKKYXCNSPGMF-GFCCVEGCSA-N 1 2 273.336 0.511 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnc(C3CC3)o2)C1 ZINC000902728947 613174775 /nfs/dbraw/zinc/17/47/75/613174775.db2.gz CRDGWJNFHYEBML-LLVKDONJSA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnc(C3CC3)o2)C1 ZINC000902728947 613174776 /nfs/dbraw/zinc/17/47/76/613174776.db2.gz CRDGWJNFHYEBML-LLVKDONJSA-N 1 2 274.324 0.774 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000855412010 613178776 /nfs/dbraw/zinc/17/87/76/613178776.db2.gz ROVLBXWAKATXCB-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000855412010 613178778 /nfs/dbraw/zinc/17/87/78/613178778.db2.gz ROVLBXWAKATXCB-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(=O)CC[C@H]2C)C1 ZINC000924036644 613182836 /nfs/dbraw/zinc/18/28/36/613182836.db2.gz OEVXPSGHOLNIGJ-OLZOCXBDSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)CC[C@H]2C)C1 ZINC000924036644 613182838 /nfs/dbraw/zinc/18/28/38/613182838.db2.gz OEVXPSGHOLNIGJ-OLZOCXBDSA-N 1 2 277.368 0.847 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)cc1 ZINC000967678887 613191466 /nfs/dbraw/zinc/19/14/66/613191466.db2.gz QBPUGFTUQQMGQE-DOMZBBRYSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@H]2C)cc1 ZINC000967678887 613191468 /nfs/dbraw/zinc/19/14/68/613191468.db2.gz QBPUGFTUQQMGQE-DOMZBBRYSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC(F)F)C[C@@H](C)O ZINC000837010426 613194489 /nfs/dbraw/zinc/19/44/89/613194489.db2.gz AWJUHQDERGEBQS-MNOVXSKESA-N 1 2 274.311 0.559 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC(F)F)C[C@@H](C)O ZINC000837010426 613194491 /nfs/dbraw/zinc/19/44/91/613194491.db2.gz AWJUHQDERGEBQS-MNOVXSKESA-N 1 2 274.311 0.559 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000907068192 613197538 /nfs/dbraw/zinc/19/75/38/613197538.db2.gz WUJDKUZKTKXTBO-UHFFFAOYSA-N 1 2 264.350 0.652 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000907401899 613197752 /nfs/dbraw/zinc/19/77/52/613197752.db2.gz GFIZIQBQISCPSF-AAEUAGOBSA-N 1 2 287.367 0.405 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000907401899 613197753 /nfs/dbraw/zinc/19/77/53/613197753.db2.gz GFIZIQBQISCPSF-AAEUAGOBSA-N 1 2 287.367 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2cncc21 ZINC000857985562 613201118 /nfs/dbraw/zinc/20/11/18/613201118.db2.gz IHPVQHGCYILUNO-NEPJUHHUSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2cncc21 ZINC000857985562 613201120 /nfs/dbraw/zinc/20/11/20/613201120.db2.gz IHPVQHGCYILUNO-NEPJUHHUSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000899654866 613201978 /nfs/dbraw/zinc/20/19/78/613201978.db2.gz KBNBDPOKCSYMEL-ZNMIVQPWSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000899654866 613201979 /nfs/dbraw/zinc/20/19/79/613201979.db2.gz KBNBDPOKCSYMEL-ZNMIVQPWSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891038372 613202706 /nfs/dbraw/zinc/20/27/06/613202706.db2.gz MKZWBXGYMLNJNP-RDBSUJKOSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891038372 613202707 /nfs/dbraw/zinc/20/27/07/613202707.db2.gz MKZWBXGYMLNJNP-RDBSUJKOSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132421786 613207123 /nfs/dbraw/zinc/20/71/23/613207123.db2.gz GBZQELPVXXDMAO-CYBMUJFWSA-N 1 2 272.352 0.223 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972372843 613211378 /nfs/dbraw/zinc/21/13/78/613211378.db2.gz FGQUCXNYFPJRMS-AAEUAGOBSA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972372843 613211380 /nfs/dbraw/zinc/21/13/80/613211380.db2.gz FGQUCXNYFPJRMS-AAEUAGOBSA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972614273 613211441 /nfs/dbraw/zinc/21/14/41/613211441.db2.gz KDVFKFAJHOWMTQ-HOTGVXAUSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972614273 613211443 /nfs/dbraw/zinc/21/14/43/613211443.db2.gz KDVFKFAJHOWMTQ-HOTGVXAUSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972556399 613213031 /nfs/dbraw/zinc/21/30/31/613213031.db2.gz GIRUUYHYHUCOSN-IJEWVQPXSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972556399 613213033 /nfs/dbraw/zinc/21/30/33/613213033.db2.gz GIRUUYHYHUCOSN-IJEWVQPXSA-N 1 2 292.379 0.348 20 30 CCEDLO C/C(=C/C(=O)N[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900432577 613238523 /nfs/dbraw/zinc/23/85/23/613238523.db2.gz FKAHWGIMMOASBA-MMRAYRKESA-N 1 2 251.330 0.683 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000819240970 613240326 /nfs/dbraw/zinc/24/03/26/613240326.db2.gz DPOLTAFNCFRZAO-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000819240970 613240327 /nfs/dbraw/zinc/24/03/27/613240327.db2.gz DPOLTAFNCFRZAO-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000981740899 613240548 /nfs/dbraw/zinc/24/05/48/613240548.db2.gz ITCCYPSTUMFTSW-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000981740899 613240550 /nfs/dbraw/zinc/24/05/50/613240550.db2.gz ITCCYPSTUMFTSW-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C/C(=C\C(=O)N1CCSC[C@@H]1C#N)C[NH+]1CCOCC1 ZINC000901323179 613251064 /nfs/dbraw/zinc/25/10/64/613251064.db2.gz UZDIAXIVIPLHSE-RPHSKFLZSA-N 1 2 295.408 0.732 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838112946 613282059 /nfs/dbraw/zinc/28/20/59/613282059.db2.gz CRBJXZPEVHZZSQ-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838112946 613282060 /nfs/dbraw/zinc/28/20/60/613282060.db2.gz CRBJXZPEVHZZSQ-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC000951126376 613295639 /nfs/dbraw/zinc/29/56/39/613295639.db2.gz QJLPGAMZLHIWDH-STQMWFEESA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000950540570 613296009 /nfs/dbraw/zinc/29/60/09/613296009.db2.gz VSERXCNIRSCSKS-JSGCOSHPSA-N 1 2 282.384 0.899 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974481373 613302021 /nfs/dbraw/zinc/30/20/21/613302021.db2.gz WKBSMFHYJHHWCH-LBPRGKRZSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974481373 613302022 /nfs/dbraw/zinc/30/20/22/613302022.db2.gz WKBSMFHYJHHWCH-LBPRGKRZSA-N 1 2 273.336 0.861 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000957314850 613319411 /nfs/dbraw/zinc/31/94/11/613319411.db2.gz QXRSWAWHHUXPPK-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000815055766 613325824 /nfs/dbraw/zinc/32/58/24/613325824.db2.gz NCJJBJLPLYQMSU-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000815055766 613325826 /nfs/dbraw/zinc/32/58/26/613325826.db2.gz NCJJBJLPLYQMSU-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932442366 613329097 /nfs/dbraw/zinc/32/90/97/613329097.db2.gz GFTMESBHDVJPCX-NSHDSACASA-N 1 2 265.357 0.115 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932442366 613329098 /nfs/dbraw/zinc/32/90/98/613329098.db2.gz GFTMESBHDVJPCX-NSHDSACASA-N 1 2 265.357 0.115 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300500 613329818 /nfs/dbraw/zinc/32/98/18/613329818.db2.gz FFXIFKHLLUEVAJ-JTQLQIEISA-N 1 2 264.247 0.389 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300500 613329820 /nfs/dbraw/zinc/32/98/20/613329820.db2.gz FFXIFKHLLUEVAJ-JTQLQIEISA-N 1 2 264.247 0.389 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498437 613330773 /nfs/dbraw/zinc/33/07/73/613330773.db2.gz QSOJJJMWFQXORF-CQSZACIVSA-N 1 2 284.363 0.615 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498437 613330774 /nfs/dbraw/zinc/33/07/74/613330774.db2.gz QSOJJJMWFQXORF-CQSZACIVSA-N 1 2 284.363 0.615 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882896973 613358105 /nfs/dbraw/zinc/35/81/05/613358105.db2.gz XBOLETLGJCUWJA-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882845728 613358399 /nfs/dbraw/zinc/35/83/99/613358399.db2.gz VUDPFALSSGVUNP-LLVKDONJSA-N 1 2 273.358 0.130 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000970291232 613371546 /nfs/dbraw/zinc/37/15/46/613371546.db2.gz AFSRRMSLLINYJK-PWSUYJOCSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC000969323507 613372220 /nfs/dbraw/zinc/37/22/20/613372220.db2.gz MEFDCJPJJKVFBX-JQWIXIFHSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)CN1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957332136 613374707 /nfs/dbraw/zinc/37/47/07/613374707.db2.gz JSSUJSOWTKYOCU-UHFFFAOYSA-N 1 2 282.775 0.859 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 ZINC000958289428 613381357 /nfs/dbraw/zinc/38/13/57/613381357.db2.gz VNMWBLCHRHMEHP-ZJUUUORDSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 ZINC000958289428 613381358 /nfs/dbraw/zinc/38/13/58/613381358.db2.gz VNMWBLCHRHMEHP-ZJUUUORDSA-N 1 2 285.731 0.450 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878265726 613397518 /nfs/dbraw/zinc/39/75/18/613397518.db2.gz QNKZMJWHZIMAHA-MNOVXSKESA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878265726 613397520 /nfs/dbraw/zinc/39/75/20/613397520.db2.gz QNKZMJWHZIMAHA-MNOVXSKESA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)C(=O)OC ZINC000905768111 613405759 /nfs/dbraw/zinc/40/57/59/613405759.db2.gz QRFHITKMHXDECG-VXGBXAGGSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCNC(=O)N(C)C ZINC000878336531 613409856 /nfs/dbraw/zinc/40/98/56/613409856.db2.gz INYCFSIHOISBDK-SNVBAGLBSA-N 1 2 257.334 0.307 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCNC(=O)N(C)C ZINC000878336531 613409857 /nfs/dbraw/zinc/40/98/57/613409857.db2.gz INYCFSIHOISBDK-SNVBAGLBSA-N 1 2 257.334 0.307 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848832 613412451 /nfs/dbraw/zinc/41/24/51/613412451.db2.gz QKMJPRYCCDUHCZ-VHSXEESVSA-N 1 2 256.302 0.534 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886848832 613412453 /nfs/dbraw/zinc/41/24/53/613412453.db2.gz QKMJPRYCCDUHCZ-VHSXEESVSA-N 1 2 256.302 0.534 20 30 CCEDLO C=C1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000898697095 613415597 /nfs/dbraw/zinc/41/55/97/613415597.db2.gz PKNTYESQQLPLHY-UHFFFAOYSA-N 1 2 272.352 0.602 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942516010 613434966 /nfs/dbraw/zinc/43/49/66/613434966.db2.gz SZUSIDBQIRXQNE-LLVKDONJSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C2OCCO2)CC1 ZINC000800338240 613441276 /nfs/dbraw/zinc/44/12/76/613441276.db2.gz VRMVSIYQDMYJTJ-NSHDSACASA-N 1 2 255.314 0.799 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCC1 ZINC000913544416 613455992 /nfs/dbraw/zinc/45/59/92/613455992.db2.gz FDBRQQLNWBYWCC-GFCCVEGCSA-N 1 2 252.358 0.868 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCC1 ZINC000913544416 613455998 /nfs/dbraw/zinc/45/59/98/613455998.db2.gz FDBRQQLNWBYWCC-GFCCVEGCSA-N 1 2 252.358 0.868 20 30 CCEDLO C=CCCCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000880153013 613465305 /nfs/dbraw/zinc/46/53/05/613465305.db2.gz BUXFNLRXJVHBSA-UHFFFAOYSA-N 1 2 255.362 0.527 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928646867 613467096 /nfs/dbraw/zinc/46/70/96/613467096.db2.gz MUBXTSPVVKSJER-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898892398 613467163 /nfs/dbraw/zinc/46/71/63/613467163.db2.gz QKDJDDGNVYYFPD-FOGDFJRCSA-N 1 2 265.313 0.161 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2C[N@H+](CC)CCO2)C1=O ZINC000924608370 613475514 /nfs/dbraw/zinc/47/55/14/613475514.db2.gz NPIJNKNXUSSTLF-CHWSQXEVSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC000924608370 613475518 /nfs/dbraw/zinc/47/55/18/613475518.db2.gz NPIJNKNXUSSTLF-CHWSQXEVSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000845635494 613486553 /nfs/dbraw/zinc/48/65/53/613486553.db2.gz HBAOASDXFNACBC-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000845635494 613486554 /nfs/dbraw/zinc/48/65/54/613486554.db2.gz HBAOASDXFNACBC-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000845636283 613487815 /nfs/dbraw/zinc/48/78/15/613487815.db2.gz NEGADJUYXLUQCC-QJPTWQEYSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@](C)(O)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000881288590 613510584 /nfs/dbraw/zinc/51/05/84/613510584.db2.gz NGGLWASMOSSODQ-LBPRGKRZSA-N 1 2 252.318 0.004 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000941283638 613529716 /nfs/dbraw/zinc/52/97/16/613529716.db2.gz CQDFESOFXJSYPO-UHFFFAOYSA-N 1 2 287.363 0.745 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380279 613570491 /nfs/dbraw/zinc/57/04/91/613570491.db2.gz HDNWEKCYMUIHRU-KRWDZBQOSA-N 1 2 286.375 0.726 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380279 613570493 /nfs/dbraw/zinc/57/04/93/613570493.db2.gz HDNWEKCYMUIHRU-KRWDZBQOSA-N 1 2 286.375 0.726 20 30 CCEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000121220931 613609554 /nfs/dbraw/zinc/60/95/54/613609554.db2.gz CSMFGTOKOLBIMW-SECBINFHSA-N 1 2 267.329 0.623 20 30 CCEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000121220931 613609556 /nfs/dbraw/zinc/60/95/56/613609556.db2.gz CSMFGTOKOLBIMW-SECBINFHSA-N 1 2 267.329 0.623 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](CNC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC000957935456 613615747 /nfs/dbraw/zinc/61/57/47/613615747.db2.gz MSZKWQGBEXIZML-CHWSQXEVSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC000957935456 613615749 /nfs/dbraw/zinc/61/57/49/613615749.db2.gz MSZKWQGBEXIZML-CHWSQXEVSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ncc1F ZINC000961697794 613642324 /nfs/dbraw/zinc/64/23/24/613642324.db2.gz QYCRHTUQWOYWAF-JZYVYDRUSA-N 1 2 262.288 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ncc1F ZINC000961697794 613642325 /nfs/dbraw/zinc/64/23/25/613642325.db2.gz QYCRHTUQWOYWAF-JZYVYDRUSA-N 1 2 262.288 0.232 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(C(=O)OC)c2)nn1 ZINC000900604469 613645164 /nfs/dbraw/zinc/64/51/64/613645164.db2.gz DFVKWXOEAFIIBI-UHFFFAOYSA-N 1 2 299.334 0.621 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000951362245 613655034 /nfs/dbraw/zinc/65/50/34/613655034.db2.gz NOYUGTBLZUBEHP-GFCCVEGCSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)N2CCCCC2=O)CC1 ZINC000957763296 613709821 /nfs/dbraw/zinc/70/98/21/613709821.db2.gz MILRBCVYDVNEPX-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC000957503303 613710768 /nfs/dbraw/zinc/71/07/68/613710768.db2.gz FYMXJKSEKPPCSU-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC000957286709 613712620 /nfs/dbraw/zinc/71/26/20/613712620.db2.gz AOEUSUJTMKWROL-GFCCVEGCSA-N 1 2 280.372 0.250 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC000949485099 613713471 /nfs/dbraw/zinc/71/34/71/613713471.db2.gz ZBXOQFZLHGNPKJ-GFCCVEGCSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(C(N)=O)cn2)CC1 ZINC000950618162 613714670 /nfs/dbraw/zinc/71/46/70/613714670.db2.gz SSUQKJNQDCNXLP-UHFFFAOYSA-N 1 2 288.351 0.433 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972308235 613723259 /nfs/dbraw/zinc/72/32/59/613723259.db2.gz JLNQKDKZYAJEEM-HOCLYGCPSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972308235 613723264 /nfs/dbraw/zinc/72/32/64/613723264.db2.gz JLNQKDKZYAJEEM-HOCLYGCPSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972517131 613725972 /nfs/dbraw/zinc/72/59/72/613725972.db2.gz BJBLYIXHOXIOPY-CABCVRRESA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972517131 613725975 /nfs/dbraw/zinc/72/59/75/613725975.db2.gz BJBLYIXHOXIOPY-CABCVRRESA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nonc3C)C2)C1 ZINC000972700451 613727592 /nfs/dbraw/zinc/72/75/92/613727592.db2.gz YTBBUIOPTGHKMJ-CQSZACIVSA-N 1 2 292.339 0.481 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nonc3C)C2)C1 ZINC000972700451 613727595 /nfs/dbraw/zinc/72/75/95/613727595.db2.gz YTBBUIOPTGHKMJ-CQSZACIVSA-N 1 2 292.339 0.481 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(NC)[nH+]cn2)C1=O ZINC000893667899 613777700 /nfs/dbraw/zinc/77/77/00/613777700.db2.gz FYCPBZBNWSRJSY-JTQLQIEISA-N 1 2 261.329 0.741 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(NC)nc[nH+]2)C1=O ZINC000893667899 613777702 /nfs/dbraw/zinc/77/77/02/613777702.db2.gz FYCPBZBNWSRJSY-JTQLQIEISA-N 1 2 261.329 0.741 20 30 CCEDLO C=CCOCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000815071579 613880426 /nfs/dbraw/zinc/88/04/26/613880426.db2.gz LSLCGJZJCYRMKY-QGZVFWFLSA-N 1 2 260.403 0.185 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(F)(F)F ZINC000884377213 613877302 /nfs/dbraw/zinc/87/73/02/613877302.db2.gz CHMPXFNTELPWRM-ZETCQYMHSA-N 1 2 268.235 0.454 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000884251963 613877859 /nfs/dbraw/zinc/87/78/59/613877859.db2.gz XSKHWZRIIXLXLC-DCAQKATOSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccsc1 ZINC000884081224 613878215 /nfs/dbraw/zinc/87/82/15/613878215.db2.gz SDLBOHKATDSDKV-NSHDSACASA-N 1 2 282.365 0.853 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1 ZINC000884044080 613878455 /nfs/dbraw/zinc/87/84/55/613878455.db2.gz SSSAHKFRQJMDAE-LBPRGKRZSA-N 1 2 262.309 0.749 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CC(C)(C)OC ZINC000884153642 613878787 /nfs/dbraw/zinc/87/87/87/613878787.db2.gz OZIAXVIJYZBLKA-MNOVXSKESA-N 1 2 286.372 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N(C)C)cn1 ZINC000884200427 613878960 /nfs/dbraw/zinc/87/89/60/613878960.db2.gz BIEWLLCIBITMJL-NSHDSACASA-N 1 2 292.339 0.533 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913466626 613879718 /nfs/dbraw/zinc/87/97/18/613879718.db2.gz FQJKPQYPPAICAX-CQSZACIVSA-N 1 2 292.383 0.876 20 30 CCEDLO CC(C)(O)C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000878159731 614203086 /nfs/dbraw/zinc/20/30/86/614203086.db2.gz SRDWQKZCNFEKDB-AWEZNQCLSA-N 1 2 299.415 0.056 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000823268881 614328189 /nfs/dbraw/zinc/32/81/89/614328189.db2.gz RNXMJURJENJKSQ-HNNXBMFYSA-N 1 2 296.436 0.970 20 30 CCEDLO CC(C[NH+]1Cc2ccccc2C1)N=NC1=NCC(=O)N1 ZINC000863175902 614378409 /nfs/dbraw/zinc/37/84/09/614378409.db2.gz XQNMKQSUKRENBS-UHFFFAOYSA-N 1 2 271.324 0.454 20 30 CCEDLO CCCCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839176186 614900408 /nfs/dbraw/zinc/90/04/08/614900408.db2.gz GVBSEZKPRFVXPE-UHFFFAOYSA-N 1 2 269.389 0.976 20 30 CCEDLO CCCCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839176186 614900413 /nfs/dbraw/zinc/90/04/13/614900413.db2.gz GVBSEZKPRFVXPE-UHFFFAOYSA-N 1 2 269.389 0.976 20 30 CCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784228903 615115270 /nfs/dbraw/zinc/11/52/70/615115270.db2.gz RIEBKUIJCMGSDJ-LBPRGKRZSA-N 1 2 293.367 0.966 20 30 CCEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784228903 615115273 /nfs/dbraw/zinc/11/52/73/615115273.db2.gz RIEBKUIJCMGSDJ-LBPRGKRZSA-N 1 2 293.367 0.966 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000878816237 615229670 /nfs/dbraw/zinc/22/96/70/615229670.db2.gz DOWTWVCWZKNGFU-VXGBXAGGSA-N 1 2 296.371 0.567 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804088 615259932 /nfs/dbraw/zinc/25/99/32/615259932.db2.gz JFWGTMYAHYXZKI-KGLIPLIRSA-N 1 2 272.352 0.768 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804088 615259933 /nfs/dbraw/zinc/25/99/33/615259933.db2.gz JFWGTMYAHYXZKI-KGLIPLIRSA-N 1 2 272.352 0.768 20 30 CCEDLO CCN1C[C@@H](C[NH+]2CCN([C@H](C#N)C(C)C)CC2)OC1=O ZINC000846834966 615343448 /nfs/dbraw/zinc/34/34/48/615343448.db2.gz GQFLKBXXZTYSFU-ZIAGYGMSSA-N 1 2 294.399 0.993 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C#N ZINC000921881993 615717112 /nfs/dbraw/zinc/71/71/12/615717112.db2.gz YHUFCOLIWJKRHL-VXGBXAGGSA-N 1 2 268.361 0.556 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000967945208 615813172 /nfs/dbraw/zinc/81/31/72/615813172.db2.gz UPUVHKWWQNTVRG-VHSXEESVSA-N 1 2 277.328 0.482 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC=C[C@@H]1CO)C1(C#N)CCCCC1 ZINC000880486537 615813993 /nfs/dbraw/zinc/81/39/93/615813993.db2.gz SSEIPOWCBYUNTB-CYBMUJFWSA-N 1 2 277.368 0.904 20 30 CCEDLO CN(C(=O)C[N@H+]1CC=C[C@@H]1CO)C1(C#N)CCCCC1 ZINC000880486537 615813995 /nfs/dbraw/zinc/81/39/95/615813995.db2.gz SSEIPOWCBYUNTB-CYBMUJFWSA-N 1 2 277.368 0.904 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000874706617 615928214 /nfs/dbraw/zinc/92/82/14/615928214.db2.gz UDQPCZPMJLFWBE-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000874706617 615928217 /nfs/dbraw/zinc/92/82/17/615928217.db2.gz UDQPCZPMJLFWBE-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972376094 616040418 /nfs/dbraw/zinc/04/04/18/616040418.db2.gz XEVUBELNENAJKU-JHJVBQTASA-N 1 2 287.367 0.580 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652336 616041047 /nfs/dbraw/zinc/04/10/47/616041047.db2.gz OWPUOOHRPPOEKJ-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652336 616041048 /nfs/dbraw/zinc/04/10/48/616041048.db2.gz OWPUOOHRPPOEKJ-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO CN1C(=O)CN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523456 616136185 /nfs/dbraw/zinc/13/61/85/616136185.db2.gz DVGNXVWLDJPJHU-JTQLQIEISA-N 1 2 250.302 0.464 20 30 CCEDLO CN1C(=O)CN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523456 616136186 /nfs/dbraw/zinc/13/61/86/616136186.db2.gz DVGNXVWLDJPJHU-JTQLQIEISA-N 1 2 250.302 0.464 20 30 CCEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NCC#CCO ZINC000923774705 616161774 /nfs/dbraw/zinc/16/17/74/616161774.db2.gz XAUMEOYDNLYPAS-LBPRGKRZSA-N 1 2 276.340 0.083 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2cccc(C#N)c2)C[C@H]1CO ZINC000913552821 616223952 /nfs/dbraw/zinc/22/39/52/616223952.db2.gz XGCBJHRHKJUOHY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2cccc(C#N)c2)C[C@H]1CO ZINC000913552821 616223953 /nfs/dbraw/zinc/22/39/53/616223953.db2.gz XGCBJHRHKJUOHY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1CO ZINC000913541699 616227696 /nfs/dbraw/zinc/22/76/96/616227696.db2.gz STQPACTZGYRSPW-HRCADAONSA-N 1 2 299.374 0.797 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1CO ZINC000913541699 616227697 /nfs/dbraw/zinc/22/76/97/616227697.db2.gz STQPACTZGYRSPW-HRCADAONSA-N 1 2 299.374 0.797 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1CO ZINC000913546098 616230263 /nfs/dbraw/zinc/23/02/63/616230263.db2.gz HHIGIBVPFYSAPZ-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1CO ZINC000913546098 616230264 /nfs/dbraw/zinc/23/02/64/616230264.db2.gz HHIGIBVPFYSAPZ-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1CO ZINC000894883741 616247450 /nfs/dbraw/zinc/24/74/50/616247450.db2.gz AIHWLJJPQLFRSX-SNVBAGLBSA-N 1 2 266.732 0.719 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1CO ZINC000894883741 616247451 /nfs/dbraw/zinc/24/74/51/616247451.db2.gz AIHWLJJPQLFRSX-SNVBAGLBSA-N 1 2 266.732 0.719 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933687988 616528188 /nfs/dbraw/zinc/52/81/88/616528188.db2.gz HMQFWMYCBWNNIC-ZIAGYGMSSA-N 1 2 253.342 0.906 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933687988 616528191 /nfs/dbraw/zinc/52/81/91/616528191.db2.gz HMQFWMYCBWNNIC-ZIAGYGMSSA-N 1 2 253.342 0.906 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033537 616666400 /nfs/dbraw/zinc/66/64/00/616666400.db2.gz WPHOITPZGJXSRP-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033537 616666403 /nfs/dbraw/zinc/66/64/03/616666403.db2.gz WPHOITPZGJXSRP-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779468 616704872 /nfs/dbraw/zinc/70/48/72/616704872.db2.gz ZTXZFWOMANSJFK-MRVPVSSYSA-N 1 2 280.353 0.896 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779468 616704877 /nfs/dbraw/zinc/70/48/77/616704877.db2.gz ZTXZFWOMANSJFK-MRVPVSSYSA-N 1 2 280.353 0.896 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCOCCC#N)O1 ZINC000933201557 616959466 /nfs/dbraw/zinc/95/94/66/616959466.db2.gz PXUIQRMBKCSSPV-RRFJBIMHSA-N 1 2 298.383 0.811 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCOCCC#N)O1 ZINC000933201557 616959469 /nfs/dbraw/zinc/95/94/69/616959469.db2.gz PXUIQRMBKCSSPV-RRFJBIMHSA-N 1 2 298.383 0.811 20 30 CCEDLO COCCN(C)c1ccc(C=[NH+]Nc2cnnn2C)cn1 ZINC000814983556 616972444 /nfs/dbraw/zinc/97/24/44/616972444.db2.gz MOYLZCPJAISSGX-UHFFFAOYSA-N 1 2 289.343 0.739 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC000807282867 616978402 /nfs/dbraw/zinc/97/84/02/616978402.db2.gz CFEAWHDSOSVDQA-GFCCVEGCSA-N 1 2 299.290 0.121 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922240489 617117036 /nfs/dbraw/zinc/11/70/36/617117036.db2.gz GXUNAHYNRANENO-MNOVXSKESA-N 1 2 286.378 0.521 20 30 CCEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000221117012 622737450 /nfs/dbraw/zinc/73/74/50/622737450.db2.gz QPNPLERLLJMZMT-KCPJHIHWSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000221117012 622737456 /nfs/dbraw/zinc/73/74/56/622737456.db2.gz QPNPLERLLJMZMT-KCPJHIHWSA-N 1 2 276.336 0.673 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001023573263 623067430 /nfs/dbraw/zinc/06/74/30/623067430.db2.gz WOOVIFCUDKKZLB-SNVBAGLBSA-N 1 2 264.304 0.624 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001023573263 623067436 /nfs/dbraw/zinc/06/74/36/623067436.db2.gz WOOVIFCUDKKZLB-SNVBAGLBSA-N 1 2 264.304 0.624 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687136 623811239 /nfs/dbraw/zinc/81/12/39/623811239.db2.gz MIOTZLJYRMHYGH-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007707505 623858106 /nfs/dbraw/zinc/85/81/06/623858106.db2.gz SJMIKVHSSRFWOC-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020603777 624547551 /nfs/dbraw/zinc/54/75/51/624547551.db2.gz LXOQUYXAQBMZSH-DDHJBXDOSA-N 1 2 273.340 0.284 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010653888 624682358 /nfs/dbraw/zinc/68/23/58/624682358.db2.gz ZDVJPUKKKBPGJM-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010653888 624682359 /nfs/dbraw/zinc/68/23/59/624682359.db2.gz ZDVJPUKKKBPGJM-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711637 624814262 /nfs/dbraw/zinc/81/42/62/624814262.db2.gz ZILXUKVBTXUNOM-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711637 624814263 /nfs/dbraw/zinc/81/42/63/624814263.db2.gz ZILXUKVBTXUNOM-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000306268218 624826293 /nfs/dbraw/zinc/82/62/93/624826293.db2.gz JFMWNTPGQLAYLK-SECBINFHSA-N 1 2 250.136 0.714 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000306268218 624826296 /nfs/dbraw/zinc/82/62/96/624826296.db2.gz JFMWNTPGQLAYLK-SECBINFHSA-N 1 2 250.136 0.714 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000308350512 624867956 /nfs/dbraw/zinc/86/79/56/624867956.db2.gz XXVAWKQQKCWCKZ-GFCCVEGCSA-N 1 2 260.345 0.314 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000308350512 624867957 /nfs/dbraw/zinc/86/79/57/624867957.db2.gz XXVAWKQQKCWCKZ-GFCCVEGCSA-N 1 2 260.345 0.314 20 30 CCEDLO N#Cc1csc(CNC(=O)NCCn2cc[nH+]c2)n1 ZINC000891555919 624884520 /nfs/dbraw/zinc/88/45/20/624884520.db2.gz RTCCVYJYUQMFAZ-UHFFFAOYSA-N 1 2 276.325 0.711 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008846527 625730797 /nfs/dbraw/zinc/73/07/97/625730797.db2.gz NQVVZQMBVMNCNP-OBJOEFQTSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008846527 625730808 /nfs/dbraw/zinc/73/08/08/625730808.db2.gz NQVVZQMBVMNCNP-OBJOEFQTSA-N 1 2 295.383 0.034 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978292759 630799253 /nfs/dbraw/zinc/79/92/53/630799253.db2.gz LVPYMEARCNNECB-VEGXAWMVSA-N 1 2 285.351 0.331 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978292759 630799259 /nfs/dbraw/zinc/79/92/59/630799259.db2.gz LVPYMEARCNNECB-VEGXAWMVSA-N 1 2 285.351 0.331 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001027758184 630897200 /nfs/dbraw/zinc/89/72/00/630897200.db2.gz SHYMSZONNUCZIF-NWDGAFQWSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001027758184 630897207 /nfs/dbraw/zinc/89/72/07/630897207.db2.gz SHYMSZONNUCZIF-NWDGAFQWSA-N 1 2 288.775 0.735 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477481 631281656 /nfs/dbraw/zinc/28/16/56/631281656.db2.gz WXKQXMOAJCMTLT-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO N#CCN[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550625 631287674 /nfs/dbraw/zinc/28/76/74/631287674.db2.gz PVMFNOSRZCDNCR-NWDGAFQWSA-N 1 2 261.329 0.424 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036515 631369062 /nfs/dbraw/zinc/36/90/62/631369062.db2.gz JOOUZJFHDLSPAY-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967945012 650005697 /nfs/dbraw/zinc/00/56/97/650005697.db2.gz UPNOMKKMZSUFLW-MWLCHTKSSA-N 1 2 262.313 0.833 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967975674 650006020 /nfs/dbraw/zinc/00/60/20/650006020.db2.gz PBSREPRNNCCQAA-DTWKUNHWSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@H]1CN(C(=O)CO[NH+]=C(N)Cc2ccccc2)CCO1 ZINC000108446944 631741878 /nfs/dbraw/zinc/74/18/78/631741878.db2.gz QLRNUELQMCSPLM-LBPRGKRZSA-N 1 2 291.351 0.765 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](NCC#N)C2)c[nH+]1 ZINC000969066323 650038107 /nfs/dbraw/zinc/03/81/07/650038107.db2.gz RWYZFACQWZRFRL-GFCCVEGCSA-N 1 2 275.356 0.641 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)nn1 ZINC000895960430 632181276 /nfs/dbraw/zinc/18/12/76/632181276.db2.gz RWFHGYOLCFPXHH-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@H]4C[C@H]4C3=O)C2)nc1 ZINC000902277842 634358517 /nfs/dbraw/zinc/35/85/17/634358517.db2.gz KTGQIWWTNZAZSV-MGPQQGTHSA-N 1 2 298.346 0.842 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@H]4C[C@H]4C3=O)C2)nc1 ZINC000902277842 634358527 /nfs/dbraw/zinc/35/85/27/634358527.db2.gz KTGQIWWTNZAZSV-MGPQQGTHSA-N 1 2 298.346 0.842 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C[N@@H+]1C ZINC000907082718 635074307 /nfs/dbraw/zinc/07/43/07/635074307.db2.gz MOXDTSNYSVJJJB-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C[N@H+]1C ZINC000907082718 635074311 /nfs/dbraw/zinc/07/43/11/635074311.db2.gz MOXDTSNYSVJJJB-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO N#CCCNC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000027372950 635288559 /nfs/dbraw/zinc/28/85/59/635288559.db2.gz NRKQKWAFTVJGBH-UHFFFAOYSA-N 1 2 292.408 0.896 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000911698733 636344012 /nfs/dbraw/zinc/34/40/12/636344012.db2.gz RPIWLUMGQJOPJN-PHIMTYICSA-N 1 2 261.329 0.397 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC001010734526 650259590 /nfs/dbraw/zinc/25/95/90/650259590.db2.gz UXRVWCITKCQXGA-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC001010734526 650259593 /nfs/dbraw/zinc/25/95/93/650259593.db2.gz UXRVWCITKCQXGA-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC2(CC2)C1 ZINC000913439567 636807621 /nfs/dbraw/zinc/80/76/21/636807621.db2.gz GCEJYSAEPCBFHC-LBPRGKRZSA-N 1 2 285.351 0.967 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3ccnc(C#N)c3)CC[NH2+]2)cn1 ZINC000913460405 636813260 /nfs/dbraw/zinc/81/32/60/636813260.db2.gz JEJCOTPRMKRTAQ-CQSZACIVSA-N 1 2 296.334 0.473 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)CCCC#N)CC[NH2+]2)cn1 ZINC000913459422 636813769 /nfs/dbraw/zinc/81/37/69/636813769.db2.gz AWYYQSUPKGFPLJ-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CCC1 ZINC000913446630 636815607 /nfs/dbraw/zinc/81/56/07/636815607.db2.gz CEFBTBFQWDFFRZ-LLVKDONJSA-N 1 2 259.313 0.576 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525206 636833226 /nfs/dbraw/zinc/83/32/26/636833226.db2.gz NRLVGHIEVBABHN-BXUZGUMPSA-N 1 2 274.368 0.757 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992164671 637327816 /nfs/dbraw/zinc/32/78/16/637327816.db2.gz YJMZAYYQXKQZTI-SKDRFNHKSA-N 1 2 271.748 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992164671 637327819 /nfs/dbraw/zinc/32/78/19/637327819.db2.gz YJMZAYYQXKQZTI-SKDRFNHKSA-N 1 2 271.748 0.337 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC000992344510 637370648 /nfs/dbraw/zinc/37/06/48/637370648.db2.gz HXEGUNHAGXCKLH-FZMZJTMJSA-N 1 2 273.340 0.589 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015169556 637378885 /nfs/dbraw/zinc/37/88/85/637378885.db2.gz HZRIOKIWNNDDQJ-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015169556 637378893 /nfs/dbraw/zinc/37/88/93/637378893.db2.gz HZRIOKIWNNDDQJ-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015169561 637379400 /nfs/dbraw/zinc/37/94/00/637379400.db2.gz HZRIOKIWNNDDQJ-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015169561 637379411 /nfs/dbraw/zinc/37/94/11/637379411.db2.gz HZRIOKIWNNDDQJ-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1CC#N ZINC000994213994 637877623 /nfs/dbraw/zinc/87/76/23/637877623.db2.gz UZMQFILYKQEVSU-WCQYABFASA-N 1 2 275.356 0.455 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015708140 637887004 /nfs/dbraw/zinc/88/70/04/637887004.db2.gz YYJCQOGRDTWCFK-GRYCIOLGSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015708140 637887009 /nfs/dbraw/zinc/88/70/09/637887009.db2.gz YYJCQOGRDTWCFK-GRYCIOLGSA-N 1 2 299.802 0.654 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940099 638808269 /nfs/dbraw/zinc/80/82/69/638808269.db2.gz FKBVQXQVQOFVMD-GFCCVEGCSA-N 1 2 296.334 0.595 20 30 CCEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC(NCC#N)C1 ZINC000999383646 638979123 /nfs/dbraw/zinc/97/91/23/638979123.db2.gz DMOGTKGZWCLJQH-HTAVTVPLSA-N 1 2 287.367 0.932 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CCC[C@@H](NCC#N)C1 ZINC000999481176 638983129 /nfs/dbraw/zinc/98/31/29/638983129.db2.gz CQLPJMZSSCAAPS-CYBMUJFWSA-N 1 2 288.351 0.737 20 30 CCEDLO C[C@@H](CC(=O)N1CCC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001000336522 639072716 /nfs/dbraw/zinc/07/27/16/639072716.db2.gz NYYDGNNYHRYWJG-STQMWFEESA-N 1 2 275.356 0.938 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000564670 639116874 /nfs/dbraw/zinc/11/68/74/639116874.db2.gz POJOHGLVUKPYGG-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014812619 650491298 /nfs/dbraw/zinc/49/12/98/650491298.db2.gz UIGXKAXCTPHRCR-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014812619 650491300 /nfs/dbraw/zinc/49/13/00/650491300.db2.gz UIGXKAXCTPHRCR-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1ccc(-n2cccn2)nn1 ZINC000755657279 640331195 /nfs/dbraw/zinc/33/11/95/640331195.db2.gz NRRDCXLSZAXKPJ-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000801910277 640673433 /nfs/dbraw/zinc/67/34/33/640673433.db2.gz NQPFIAFHWXNJSZ-OLZOCXBDSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000801931838 640675872 /nfs/dbraw/zinc/67/58/72/640675872.db2.gz BKDOVVHOENDBRF-JQWIXIFHSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000801931838 640675877 /nfs/dbraw/zinc/67/58/77/640675877.db2.gz BKDOVVHOENDBRF-JQWIXIFHSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000801942531 640678088 /nfs/dbraw/zinc/67/80/88/640678088.db2.gz SSQNFSDWMSAVOO-JHJVBQTASA-N 1 2 266.341 0.985 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000801942531 640678091 /nfs/dbraw/zinc/67/80/91/640678091.db2.gz SSQNFSDWMSAVOO-JHJVBQTASA-N 1 2 266.341 0.985 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000804498731 640769926 /nfs/dbraw/zinc/76/99/26/640769926.db2.gz RVACJPUYRKBBSO-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001015810103 650633243 /nfs/dbraw/zinc/63/32/43/650633243.db2.gz ANCMSUSULXNAMK-JTQLQIEISA-N 1 2 267.308 0.238 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001015810103 650633245 /nfs/dbraw/zinc/63/32/45/650633245.db2.gz ANCMSUSULXNAMK-JTQLQIEISA-N 1 2 267.308 0.238 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016185419 650696451 /nfs/dbraw/zinc/69/64/51/650696451.db2.gz RTVQWINKCAUGFR-JTQLQIEISA-N 1 2 269.736 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016185419 650696452 /nfs/dbraw/zinc/69/64/52/650696452.db2.gz RTVQWINKCAUGFR-JTQLQIEISA-N 1 2 269.736 0.221 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016214246 650698547 /nfs/dbraw/zinc/69/85/47/650698547.db2.gz UUWWRZGQRZEFIL-SNVBAGLBSA-N 1 2 299.758 0.078 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016214246 650698548 /nfs/dbraw/zinc/69/85/48/650698548.db2.gz UUWWRZGQRZEFIL-SNVBAGLBSA-N 1 2 299.758 0.078 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c(=O)c1 ZINC001017455644 650803584 /nfs/dbraw/zinc/80/35/84/650803584.db2.gz ATRNLZCQOPUNQX-BETUJISGSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c(=O)c1 ZINC001017455644 650803588 /nfs/dbraw/zinc/80/35/88/650803588.db2.gz ATRNLZCQOPUNQX-BETUJISGSA-N 1 2 271.320 0.709 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cncn1 ZINC001017491170 650805639 /nfs/dbraw/zinc/80/56/39/650805639.db2.gz OAAVKNFMLNHUOV-MCIONIFRSA-N 1 2 287.367 0.538 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cncn1 ZINC001017491170 650805640 /nfs/dbraw/zinc/80/56/40/650805640.db2.gz OAAVKNFMLNHUOV-MCIONIFRSA-N 1 2 287.367 0.538 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1CC ZINC001017535457 650809575 /nfs/dbraw/zinc/80/95/75/650809575.db2.gz PVNMKIRHRQKRPK-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1CC ZINC001017535457 650809579 /nfs/dbraw/zinc/80/95/79/650809579.db2.gz PVNMKIRHRQKRPK-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C1CC1 ZINC000844133807 643158881 /nfs/dbraw/zinc/15/88/81/643158881.db2.gz AMBLUTOINXMNOT-WFASDCNBSA-N 1 2 299.378 0.644 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CNC(=O)C1 ZINC001017765115 650820804 /nfs/dbraw/zinc/82/08/04/650820804.db2.gz OYBFRRDNZBNXNG-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CNC(=O)C1 ZINC001017765115 650820805 /nfs/dbraw/zinc/82/08/05/650820805.db2.gz OYBFRRDNZBNXNG-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017784460 650822360 /nfs/dbraw/zinc/82/23/60/650822360.db2.gz IMYYAEUYCUDGON-TXEJJXNPSA-N 1 2 275.356 0.978 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001017784460 650822362 /nfs/dbraw/zinc/82/23/62/650822362.db2.gz IMYYAEUYCUDGON-TXEJJXNPSA-N 1 2 275.356 0.978 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001017858569 650826777 /nfs/dbraw/zinc/82/67/77/650826777.db2.gz ITXPVDDPSLWPFF-FRRDWIJNSA-N 1 2 299.378 0.533 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001017858569 650826778 /nfs/dbraw/zinc/82/67/78/650826778.db2.gz ITXPVDDPSLWPFF-FRRDWIJNSA-N 1 2 299.378 0.533 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001018072071 650842478 /nfs/dbraw/zinc/84/24/78/650842478.db2.gz AQETYRHDQHNCPM-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001018072071 650842480 /nfs/dbraw/zinc/84/24/80/650842480.db2.gz AQETYRHDQHNCPM-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncc[nH]1 ZINC001018103132 650843601 /nfs/dbraw/zinc/84/36/01/650843601.db2.gz PEADMNOSLZXSMN-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncc[nH]1 ZINC001018103132 650843605 /nfs/dbraw/zinc/84/36/05/650843605.db2.gz PEADMNOSLZXSMN-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851744295 643876047 /nfs/dbraw/zinc/87/60/47/643876047.db2.gz BBQCOSUACLEBEN-FZMZJTMJSA-N 1 2 261.325 0.451 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851744295 643876048 /nfs/dbraw/zinc/87/60/48/643876048.db2.gz BBQCOSUACLEBEN-FZMZJTMJSA-N 1 2 261.325 0.451 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000853607703 644130073 /nfs/dbraw/zinc/13/00/73/644130073.db2.gz TWLLWEKFAWCHBV-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000853607703 644130076 /nfs/dbraw/zinc/13/00/76/644130076.db2.gz TWLLWEKFAWCHBV-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018827758 650913433 /nfs/dbraw/zinc/91/34/33/650913433.db2.gz XCBQKOQZDDUTAS-NSHDSACASA-N 1 2 276.365 0.642 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001019055967 650934026 /nfs/dbraw/zinc/93/40/26/650934026.db2.gz FHPLLZYOFZKVGI-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO Cc1[nH+]cc(C=NN[C@H]2CCCS(=O)(=O)C2)n1C ZINC000863134944 645062999 /nfs/dbraw/zinc/06/29/99/645062999.db2.gz VLHAGNKNMFELNQ-JTQLQIEISA-N 1 2 270.358 0.229 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000864885436 645300220 /nfs/dbraw/zinc/30/02/20/645300220.db2.gz XXKPIXGLOUNSMV-DGCLKSJQSA-N 1 2 262.313 0.708 20 30 CCEDLO C[NH+](C)[C@H](C(=O)N1CC[C@H](NCC#N)C1)c1cccnc1 ZINC001019833153 651009887 /nfs/dbraw/zinc/00/98/87/651009887.db2.gz HOZFSPRGAVSUJZ-KBPBESRZSA-N 1 2 287.367 0.398 20 30 CCEDLO N#C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCOC1 ZINC000865878533 645433678 /nfs/dbraw/zinc/43/36/78/645433678.db2.gz QVLPXFHMJVFGLR-CYBMUJFWSA-N 1 2 260.297 0.587 20 30 CCEDLO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1cnc[nH]1 ZINC000876882245 646689651 /nfs/dbraw/zinc/68/96/51/646689651.db2.gz DMEFRYUBXFZJPD-AWEZNQCLSA-N 1 2 281.319 0.785 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CN(CC)C(=O)O1)C1CSC1 ZINC000878909839 646997576 /nfs/dbraw/zinc/99/75/76/646997576.db2.gz DMPVXOKOANFSSY-LLVKDONJSA-N 1 2 254.355 0.878 20 30 CCEDLO C#CC[N@H+](C[C@H]1CN(CC)C(=O)O1)C1CSC1 ZINC000878909839 646997579 /nfs/dbraw/zinc/99/75/79/646997579.db2.gz DMPVXOKOANFSSY-LLVKDONJSA-N 1 2 254.355 0.878 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC3(CCC3)C(=O)O2)nn1 ZINC000881373851 647307739 /nfs/dbraw/zinc/30/77/39/647307739.db2.gz ZRTRKZFOCTUKEO-ZDUSSCGKSA-N 1 2 288.351 0.877 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CC2(C#N)CCC2)nn1 ZINC000887464527 648112635 /nfs/dbraw/zinc/11/26/35/648112635.db2.gz CCCZNFSQAPCFSK-CQSZACIVSA-N 1 2 287.367 0.836 20 30 CCEDLO Cc1cnc(N2CC[NH+](C[C@H](O)CC#N)CC2)s1 ZINC000929987256 648809339 /nfs/dbraw/zinc/80/93/39/648809339.db2.gz LRYHNESMNNKOKD-LLVKDONJSA-N 1 2 266.370 0.848 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932956800 649106001 /nfs/dbraw/zinc/10/60/01/649106001.db2.gz VPFABKOYXVLVBL-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932956800 649106005 /nfs/dbraw/zinc/10/60/05/649106005.db2.gz VPFABKOYXVLVBL-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO C[C@@H](C[NH+]1CCC2(CC1)CC(=O)C=CO2)S(C)(=O)=O ZINC000933648371 649132336 /nfs/dbraw/zinc/13/23/36/649132336.db2.gz YKVJPJQHXHXCKO-NSHDSACASA-N 1 2 287.381 0.757 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1CC#N ZINC000948086840 649360930 /nfs/dbraw/zinc/36/09/30/649360930.db2.gz UNUGBTCSNHZPKS-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191488907 649479666 /nfs/dbraw/zinc/47/96/66/649479666.db2.gz BSKVGUBIJOPDCM-NSHDSACASA-N 1 2 290.371 0.859 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000078472196 649480554 /nfs/dbraw/zinc/48/05/54/649480554.db2.gz CRXZYYCWLNSOPL-LLVKDONJSA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000078472196 649480558 /nfs/dbraw/zinc/48/05/58/649480558.db2.gz CRXZYYCWLNSOPL-LLVKDONJSA-N 1 2 254.330 0.516 20 30 CCEDLO CC(C)OC[C@@H](O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914161 649728903 /nfs/dbraw/zinc/72/89/03/649728903.db2.gz YLKBISYCJYWAAM-GFCCVEGCSA-N 1 2 267.329 0.699 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000958382818 649803587 /nfs/dbraw/zinc/80/35/87/649803587.db2.gz ROBMJETUINCLST-IJLUTSLNSA-N 1 2 289.339 0.006 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)[nH]1 ZINC000958590560 649813302 /nfs/dbraw/zinc/81/33/02/649813302.db2.gz RNLHEHFZKKKRKK-PJXYFTJBSA-N 1 2 298.306 0.130 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)[nH]1 ZINC000958590560 649813306 /nfs/dbraw/zinc/81/33/06/649813306.db2.gz RNLHEHFZKKKRKK-PJXYFTJBSA-N 1 2 298.306 0.130 20 30 CCEDLO C=CC[N@H+](CC[C@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252659344 649831089 /nfs/dbraw/zinc/83/10/89/649831089.db2.gz METLAJNVXIPZNW-RYUDHWBXSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[N@@H+](CC[C@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252659344 649831091 /nfs/dbraw/zinc/83/10/91/649831091.db2.gz METLAJNVXIPZNW-RYUDHWBXSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(Cl)nc(OC)n2)CC1 ZINC001165031474 721865337 /nfs/dbraw/zinc/86/53/37/721865337.db2.gz KZSVVRAYELDOJV-UHFFFAOYSA-N 1 2 269.736 0.842 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230585718 805628416 /nfs/dbraw/zinc/62/84/16/805628416.db2.gz WLXICFFKJMVUKZ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230585718 805628423 /nfs/dbraw/zinc/62/84/23/805628423.db2.gz WLXICFFKJMVUKZ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO Cn1nccc1C[N@H+](C)CCNC(=O)CSCC#N ZINC001266258630 790342606 /nfs/dbraw/zinc/34/26/06/790342606.db2.gz UIHODNFLONVSIT-UHFFFAOYSA-N 1 2 281.385 0.225 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CCNC(=O)CSCC#N ZINC001266258630 790342615 /nfs/dbraw/zinc/34/26/15/790342615.db2.gz UIHODNFLONVSIT-UHFFFAOYSA-N 1 2 281.385 0.225 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC001266264295 790355843 /nfs/dbraw/zinc/35/58/43/790355843.db2.gz PAWYQPYCPQKAJV-VIFPVBQESA-N 1 2 252.343 0.851 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001266264295 790355856 /nfs/dbraw/zinc/35/58/56/790355856.db2.gz PAWYQPYCPQKAJV-VIFPVBQESA-N 1 2 252.343 0.851 20 30 CCEDLO C#CCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266283829 790401212 /nfs/dbraw/zinc/40/12/12/790401212.db2.gz XEKLJSLOFSIBDB-UHFFFAOYSA-N 1 2 262.357 0.047 20 30 CCEDLO C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001266294503 790443764 /nfs/dbraw/zinc/44/37/64/790443764.db2.gz AAKKVMAYCJCGRH-KGLIPLIRSA-N 1 2 278.400 0.680 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325533 790510113 /nfs/dbraw/zinc/51/01/13/790510113.db2.gz PDSDELFZCQAOKI-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325533 790510116 /nfs/dbraw/zinc/51/01/16/790510116.db2.gz PDSDELFZCQAOKI-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001039072868 790573115 /nfs/dbraw/zinc/57/31/15/790573115.db2.gz KCHWFSIKVVFSIY-YMAMQOFZSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001039072868 790573124 /nfs/dbraw/zinc/57/31/24/790573124.db2.gz KCHWFSIKVVFSIY-YMAMQOFZSA-N 1 2 291.395 0.505 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001266362222 790589900 /nfs/dbraw/zinc/58/99/00/790589900.db2.gz ZOSOXYIYPRKPRC-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001266362222 790589910 /nfs/dbraw/zinc/58/99/10/790589910.db2.gz ZOSOXYIYPRKPRC-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCCC(=O)N(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC001266654423 791087563 /nfs/dbraw/zinc/08/75/63/791087563.db2.gz CSYXLRYKGJBJQB-UHFFFAOYSA-N 1 2 281.360 0.650 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001038205746 791085202 /nfs/dbraw/zinc/08/52/02/791085202.db2.gz XPPIDVMIBNRZCN-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001038205746 791085209 /nfs/dbraw/zinc/08/52/09/791085209.db2.gz XPPIDVMIBNRZCN-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798378 805669642 /nfs/dbraw/zinc/66/96/42/805669642.db2.gz RZZXKIBMAXXRQF-UONOGXRCSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798378 805669647 /nfs/dbraw/zinc/66/96/47/805669647.db2.gz RZZXKIBMAXXRQF-UONOGXRCSA-N 1 2 293.411 0.962 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230811538 805671912 /nfs/dbraw/zinc/67/19/12/805671912.db2.gz QUEJERPTGBHFFL-GFCCVEGCSA-N 1 2 276.340 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230811538 805671920 /nfs/dbraw/zinc/67/19/20/805671920.db2.gz QUEJERPTGBHFFL-GFCCVEGCSA-N 1 2 276.340 0.206 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccn1 ZINC001230824382 805673834 /nfs/dbraw/zinc/67/38/34/805673834.db2.gz ZDPZEOGHTUJPHR-STQMWFEESA-N 1 2 260.341 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccn1 ZINC001230824382 805673838 /nfs/dbraw/zinc/67/38/38/805673838.db2.gz ZDPZEOGHTUJPHR-STQMWFEESA-N 1 2 260.341 0.610 20 30 CCEDLO CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230855016 805677560 /nfs/dbraw/zinc/67/75/60/805677560.db2.gz GHWRHEUZCXCNMT-KGLIPLIRSA-N 1 2 282.384 0.594 20 30 CCEDLO CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230855016 805677568 /nfs/dbraw/zinc/67/75/68/805677568.db2.gz GHWRHEUZCXCNMT-KGLIPLIRSA-N 1 2 282.384 0.594 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247592 805758929 /nfs/dbraw/zinc/75/89/29/805758929.db2.gz PIBGDLAHAFYOJM-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247592 805758935 /nfs/dbraw/zinc/75/89/35/805758935.db2.gz PIBGDLAHAFYOJM-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001231246945 805760119 /nfs/dbraw/zinc/76/01/19/805760119.db2.gz JBLLNFUBPUMHBP-VXGBXAGGSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001231246945 805760125 /nfs/dbraw/zinc/76/01/25/805760125.db2.gz JBLLNFUBPUMHBP-VXGBXAGGSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247625 805760136 /nfs/dbraw/zinc/76/01/36/805760136.db2.gz PSXYJPYJBOJQSJ-CHWSQXEVSA-N 1 2 294.399 0.546 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247625 805760139 /nfs/dbraw/zinc/76/01/39/805760139.db2.gz PSXYJPYJBOJQSJ-CHWSQXEVSA-N 1 2 294.399 0.546 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231245744 805760163 /nfs/dbraw/zinc/76/01/63/805760163.db2.gz AUYUBXRHEXMHAE-DGCLKSJQSA-N 1 2 292.383 0.300 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231245744 805760169 /nfs/dbraw/zinc/76/01/69/805760169.db2.gz AUYUBXRHEXMHAE-DGCLKSJQSA-N 1 2 292.383 0.300 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231292502 805770242 /nfs/dbraw/zinc/77/02/42/805770242.db2.gz CZRPCXHZVZPFPC-DGCLKSJQSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231292502 805770246 /nfs/dbraw/zinc/77/02/46/805770246.db2.gz CZRPCXHZVZPFPC-DGCLKSJQSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CC(N2CCN(C)C(=O)C2)C1 ZINC001233082423 806019839 /nfs/dbraw/zinc/01/98/39/806019839.db2.gz AZAYJKBWVKBFGR-UHFFFAOYSA-N 1 2 298.390 0.825 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498640 806067308 /nfs/dbraw/zinc/06/73/08/806067308.db2.gz CHNBRWWPTVCDOE-LMVHVUTASA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498640 806067317 /nfs/dbraw/zinc/06/73/17/806067317.db2.gz CHNBRWWPTVCDOE-LMVHVUTASA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001267184131 791635087 /nfs/dbraw/zinc/63/50/87/791635087.db2.gz SBGBWHJXCZJRFH-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)(C)C ZINC001267184131 791635092 /nfs/dbraw/zinc/63/50/92/791635092.db2.gz SBGBWHJXCZJRFH-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CNC(=O)CC ZINC001267188771 791643575 /nfs/dbraw/zinc/64/35/75/791643575.db2.gz NTHGYEGKEXECDT-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CNC(=O)CC ZINC001267188771 791643578 /nfs/dbraw/zinc/64/35/78/791643578.db2.gz NTHGYEGKEXECDT-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO Cc1coc(C)c1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267194843 791655503 /nfs/dbraw/zinc/65/55/03/791655503.db2.gz FCEVZNWXYTYLRY-UHFFFAOYSA-N 1 2 292.339 0.198 20 30 CCEDLO Cc1coc(C)c1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267194843 791655508 /nfs/dbraw/zinc/65/55/08/791655508.db2.gz FCEVZNWXYTYLRY-UHFFFAOYSA-N 1 2 292.339 0.198 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001267198205 791660057 /nfs/dbraw/zinc/66/00/57/791660057.db2.gz HVSSNGDWNABKAM-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001267198205 791660062 /nfs/dbraw/zinc/66/00/62/791660062.db2.gz HVSSNGDWNABKAM-KBPBESRZSA-N 1 2 293.411 0.610 20 30 CCEDLO CC#CC[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198605 791661853 /nfs/dbraw/zinc/66/18/53/791661853.db2.gz VWGALZOXFJFZAB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198605 791661859 /nfs/dbraw/zinc/66/18/59/791661859.db2.gz VWGALZOXFJFZAB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198605 791661863 /nfs/dbraw/zinc/66/18/63/791661863.db2.gz VWGALZOXFJFZAB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198605 791661867 /nfs/dbraw/zinc/66/18/67/791661867.db2.gz VWGALZOXFJFZAB-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234006860 806167002 /nfs/dbraw/zinc/16/70/02/806167002.db2.gz ZCGKGHZAGCZMKN-PINQPDRWSA-N 1 2 275.308 0.172 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234006860 806167007 /nfs/dbraw/zinc/16/70/07/806167007.db2.gz ZCGKGHZAGCZMKN-PINQPDRWSA-N 1 2 275.308 0.172 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177915 806195870 /nfs/dbraw/zinc/19/58/70/806195870.db2.gz GJUNRDDELWAORA-KBPBESRZSA-N 1 2 289.379 0.211 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177915 806195873 /nfs/dbraw/zinc/19/58/73/806195873.db2.gz GJUNRDDELWAORA-KBPBESRZSA-N 1 2 289.379 0.211 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194494 806202244 /nfs/dbraw/zinc/20/22/44/806202244.db2.gz DMMCBVJOWKQHHZ-CYBMUJFWSA-N 1 2 293.411 0.657 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194494 806202253 /nfs/dbraw/zinc/20/22/53/806202253.db2.gz DMMCBVJOWKQHHZ-CYBMUJFWSA-N 1 2 293.411 0.657 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205943 806203940 /nfs/dbraw/zinc/20/39/40/806203940.db2.gz MPPWYUVSKVUDNN-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205943 806203944 /nfs/dbraw/zinc/20/39/44/806203944.db2.gz MPPWYUVSKVUDNN-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234537089 806267701 /nfs/dbraw/zinc/26/77/01/806267701.db2.gz KHUITQRFUJBJPE-NWDGAFQWSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234537089 806267717 /nfs/dbraw/zinc/26/77/17/806267717.db2.gz KHUITQRFUJBJPE-NWDGAFQWSA-N 1 2 281.400 0.995 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234604844 806284884 /nfs/dbraw/zinc/28/48/84/806284884.db2.gz WTZVYPFSLNRPJR-RYUDHWBXSA-N 1 2 267.373 0.749 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234604844 806284891 /nfs/dbraw/zinc/28/48/91/806284891.db2.gz WTZVYPFSLNRPJR-RYUDHWBXSA-N 1 2 267.373 0.749 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C ZINC001278093530 806660069 /nfs/dbraw/zinc/66/00/69/806660069.db2.gz MPISSWYGHYUHLC-LBPRGKRZSA-N 1 2 281.356 0.906 20 30 CCEDLO C[N@@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278098739 806666759 /nfs/dbraw/zinc/66/67/59/806666759.db2.gz XLVLYHLGKDVJNE-UHFFFAOYSA-N 1 2 260.297 0.839 20 30 CCEDLO C[N@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278098739 806666761 /nfs/dbraw/zinc/66/67/61/806666761.db2.gz XLVLYHLGKDVJNE-UHFFFAOYSA-N 1 2 260.297 0.839 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1cnc(C#N)cn1 ZINC001120711786 798918637 /nfs/dbraw/zinc/91/86/37/798918637.db2.gz FGNJZFJLMZOQLD-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCn1c([C@H](C)O)nnc1N(C)CC[NH+]1CCOCC1 ZINC001121627061 799061250 /nfs/dbraw/zinc/06/12/50/799061250.db2.gz ARPZPHKNPOGGLW-LBPRGKRZSA-N 1 2 295.387 0.286 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(N(C)C)nc2)CC1 ZINC001138351371 799723172 /nfs/dbraw/zinc/72/31/72/799723172.db2.gz MANAQGBXKLUZRK-UHFFFAOYSA-N 1 2 259.357 0.293 20 30 CCEDLO N#Cc1nc(N)c(NC(=O)[C@H]2CC3CC[NH+]2CC3)nc1C#N ZINC001142626969 800139445 /nfs/dbraw/zinc/13/94/45/800139445.db2.gz ZXSGSVDKMRRLIH-LLVKDONJSA-N 1 2 297.322 0.225 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001149983422 800310727 /nfs/dbraw/zinc/31/07/27/800310727.db2.gz QUMCRNWKAQPZOC-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001149983422 800310733 /nfs/dbraw/zinc/31/07/33/800310733.db2.gz QUMCRNWKAQPZOC-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001153091201 800596430 /nfs/dbraw/zinc/59/64/30/800596430.db2.gz HMGYKQPFJWDPJI-SNVBAGLBSA-N 1 2 282.344 0.738 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001153135269 800600917 /nfs/dbraw/zinc/60/09/17/800600917.db2.gz ORURIIUSWACADY-LLVKDONJSA-N 1 2 296.371 0.990 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001153148830 800601516 /nfs/dbraw/zinc/60/15/16/800601516.db2.gz MSDGYARLZFHKPM-VHSXEESVSA-N 1 2 284.385 0.896 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001153148861 800601623 /nfs/dbraw/zinc/60/16/23/800601623.db2.gz NAOUDEYSIODILY-VIFPVBQESA-N 1 2 270.358 0.335 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001155197021 800929882 /nfs/dbraw/zinc/92/98/82/800929882.db2.gz HTNHQVUZHYBIQP-LBPRGKRZSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001155197021 800929888 /nfs/dbraw/zinc/92/98/88/800929888.db2.gz HTNHQVUZHYBIQP-LBPRGKRZSA-N 1 2 290.367 0.740 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc3c(C#N)c[nH]c3n2)C1 ZINC001155197973 800930167 /nfs/dbraw/zinc/93/01/67/800930167.db2.gz SUKPNUJMDLWOOD-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc3c(C#N)c[nH]c3n2)C1 ZINC001155197973 800930170 /nfs/dbraw/zinc/93/01/70/800930170.db2.gz SUKPNUJMDLWOOD-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(Cl)ncc2C#N)C[NH2+]1 ZINC001156240154 801137782 /nfs/dbraw/zinc/13/77/82/801137782.db2.gz IZILPZMINHOYRF-WPRPVWTQSA-N 1 2 280.715 0.922 20 30 CCEDLO CCOC(=O)/C=C/c1cccnc1N1CC[NH2+]C[C@@H]1C#N ZINC001156320624 801149978 /nfs/dbraw/zinc/14/99/78/801149978.db2.gz BEXKCNQJPRQVKO-GFUIURDCSA-N 1 2 286.335 0.960 20 30 CCEDLO CCOC(=O)Cc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156332720 801151630 /nfs/dbraw/zinc/15/16/30/801151630.db2.gz NFMMULBOKZACAR-LBPRGKRZSA-N 1 2 274.324 0.489 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CNC3=O)CC1 ZINC001156552400 801184380 /nfs/dbraw/zinc/18/43/80/801184380.db2.gz QURWIFPUJOFGIS-UHFFFAOYSA-N 1 2 285.347 0.874 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)CCC ZINC001156972865 801277576 /nfs/dbraw/zinc/27/75/76/801277576.db2.gz DEANBUQBACRYAZ-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)CCC ZINC001156972865 801277580 /nfs/dbraw/zinc/27/75/80/801277580.db2.gz DEANBUQBACRYAZ-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CCOCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001157852978 801501822 /nfs/dbraw/zinc/50/18/22/801501822.db2.gz OGPGWJIYCXERKU-UHFFFAOYSA-N 1 2 294.355 0.268 20 30 CCEDLO COCC#CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158479705 801656784 /nfs/dbraw/zinc/65/67/84/801656784.db2.gz PYJMNSXQVSDUNX-SECBINFHSA-N 1 2 284.253 0.633 20 30 CCEDLO COCC#CC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158479705 801656789 /nfs/dbraw/zinc/65/67/89/801656789.db2.gz PYJMNSXQVSDUNX-SECBINFHSA-N 1 2 284.253 0.633 20 30 CCEDLO CCOC(=O)CN(CCC#N)Cc1c[nH+]cn1C ZINC001204385595 801661326 /nfs/dbraw/zinc/66/13/26/801661326.db2.gz JISGKZMOPIYECJ-UHFFFAOYSA-N 1 2 250.302 0.699 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(C#N)cc(C)n2)cn1 ZINC001163415879 802554020 /nfs/dbraw/zinc/55/40/20/802554020.db2.gz DYLXIOFSNQYFPE-ZDUSSCGKSA-N 1 2 299.334 0.880 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001264369085 809645611 /nfs/dbraw/zinc/64/56/11/809645611.db2.gz PSDVASLANQTACU-NEPJUHHUSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001264369085 809645615 /nfs/dbraw/zinc/64/56/15/809645615.db2.gz PSDVASLANQTACU-NEPJUHHUSA-N 1 2 281.400 0.995 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1nc2ccc(Cl)nc2[nH]1 ZINC001164651417 802775188 /nfs/dbraw/zinc/77/51/88/802775188.db2.gz GKPKXHDOPXHYEC-SSDOTTSWSA-N 1 2 262.704 0.913 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(NC(N)=S)cn1 ZINC001164662203 802777285 /nfs/dbraw/zinc/77/72/85/802777285.db2.gz SLSJJPOUKSNRSX-VIFPVBQESA-N 1 2 262.342 0.039 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001038356923 811712263 /nfs/dbraw/zinc/71/22/63/811712263.db2.gz LWUVSRLBRJQGIN-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001038356923 811712270 /nfs/dbraw/zinc/71/22/70/811712270.db2.gz LWUVSRLBRJQGIN-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO CN(C[C@@H](O)CO)c1[nH+]ccc2ccc(C#N)cc21 ZINC001165532979 802851318 /nfs/dbraw/zinc/85/13/18/802851318.db2.gz MYJCWYZGSLHQSM-GFCCVEGCSA-N 1 2 257.293 0.896 20 30 CCEDLO CN(C)C(=O)CN(C)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166663689 802933648 /nfs/dbraw/zinc/93/36/48/802933648.db2.gz GGOWCOPTAZYCFW-UHFFFAOYSA-N 1 2 257.297 0.959 20 30 CCEDLO N#CCNC[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001268282122 812444173 /nfs/dbraw/zinc/44/41/73/812444173.db2.gz DYTDTDADFZFEMJ-OLZOCXBDSA-N 1 2 275.356 0.671 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C ZINC001203905072 803051995 /nfs/dbraw/zinc/05/19/95/803051995.db2.gz QAPAWTTXHXOSGC-AWEZNQCLSA-N 1 2 273.336 0.847 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C ZINC001203905072 803051999 /nfs/dbraw/zinc/05/19/99/803051999.db2.gz QAPAWTTXHXOSGC-AWEZNQCLSA-N 1 2 273.336 0.847 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001207720034 803441126 /nfs/dbraw/zinc/44/11/26/803441126.db2.gz GHVYNMVBDKULCY-IJLUTSLNSA-N 1 2 288.413 0.432 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001207720034 803441130 /nfs/dbraw/zinc/44/11/30/803441130.db2.gz GHVYNMVBDKULCY-IJLUTSLNSA-N 1 2 288.413 0.432 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211953762 814942883 /nfs/dbraw/zinc/94/28/83/814942883.db2.gz CRYVYHPKLICZGW-BFHYXJOUSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211953762 814942891 /nfs/dbraw/zinc/94/28/91/814942891.db2.gz CRYVYHPKLICZGW-BFHYXJOUSA-N 1 2 282.384 0.496 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@H](OC)C1 ZINC001213264800 803688077 /nfs/dbraw/zinc/68/80/77/803688077.db2.gz DSMKSETVNRWRNU-AAVRWANBSA-N 1 2 280.368 0.108 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@H](OC)C1 ZINC001213264800 803688080 /nfs/dbraw/zinc/68/80/80/803688080.db2.gz DSMKSETVNRWRNU-AAVRWANBSA-N 1 2 280.368 0.108 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@H](OC)C1 ZINC001213477155 803695403 /nfs/dbraw/zinc/69/54/03/803695403.db2.gz JZXAQUXWYBSYAM-NXEZZACHSA-N 1 2 290.285 0.778 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@H](OC)C1 ZINC001213477155 803695406 /nfs/dbraw/zinc/69/54/06/803695406.db2.gz JZXAQUXWYBSYAM-NXEZZACHSA-N 1 2 290.285 0.778 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OCC)[C@H]2C1 ZINC001217442558 803890653 /nfs/dbraw/zinc/89/06/53/803890653.db2.gz KOFAKCPGJZYZBO-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OCC)[C@H]2C1 ZINC001217442558 803890664 /nfs/dbraw/zinc/89/06/64/803890664.db2.gz KOFAKCPGJZYZBO-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001276774658 803933666 /nfs/dbraw/zinc/93/36/66/803933666.db2.gz ZCQXZFBUEJHFFB-CQSZACIVSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001276774658 803933674 /nfs/dbraw/zinc/93/36/74/803933674.db2.gz ZCQXZFBUEJHFFB-CQSZACIVSA-N 1 2 291.395 0.788 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(F)F)[C@H]2C1 ZINC001218321131 803948223 /nfs/dbraw/zinc/94/82/23/803948223.db2.gz ZJZCMFSHYQROBF-GRYCIOLGSA-N 1 2 286.322 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(F)F)[C@H]2C1 ZINC001218321131 803948230 /nfs/dbraw/zinc/94/82/30/803948230.db2.gz ZJZCMFSHYQROBF-GRYCIOLGSA-N 1 2 286.322 0.823 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218546913 803999385 /nfs/dbraw/zinc/99/93/85/803999385.db2.gz CTFCRGVKMALICS-VIFPVBQESA-N 1 2 293.348 0.937 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041294 814983842 /nfs/dbraw/zinc/98/38/42/814983842.db2.gz KYNJYXKDCVBJSX-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041294 814983843 /nfs/dbraw/zinc/98/38/43/814983843.db2.gz KYNJYXKDCVBJSX-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219878054 804438237 /nfs/dbraw/zinc/43/82/37/804438237.db2.gz YFHPCTNZDNBHLT-TUAOUCFPSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219878054 804438239 /nfs/dbraw/zinc/43/82/39/804438239.db2.gz YFHPCTNZDNBHLT-TUAOUCFPSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CCN1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](O)C1 ZINC001083460611 815019150 /nfs/dbraw/zinc/01/91/50/815019150.db2.gz PJVSUDMDQQBZEO-KGLIPLIRSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083459550 815019363 /nfs/dbraw/zinc/01/93/63/815019363.db2.gz PJFQTYCVSYXNNS-OLZOCXBDSA-N 1 2 290.367 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083459550 815019368 /nfs/dbraw/zinc/01/93/68/815019368.db2.gz PJFQTYCVSYXNNS-OLZOCXBDSA-N 1 2 290.367 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CCOC)[C@@H](O)C1 ZINC001220079982 804496480 /nfs/dbraw/zinc/49/64/80/804496480.db2.gz IOKJDNHLISWTJP-IPYPFGDCSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CCOC)[C@@H](O)C1 ZINC001220079982 804496483 /nfs/dbraw/zinc/49/64/83/804496483.db2.gz IOKJDNHLISWTJP-IPYPFGDCSA-N 1 2 280.368 0.010 20 30 CCEDLO Cc1ccc(C(=NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)NO)nc1 ZINC001220337097 804577072 /nfs/dbraw/zinc/57/70/72/804577072.db2.gz KYUAMCMOAOGTBY-ONGXEEELSA-N 1 2 280.303 0.732 20 30 CCEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCN2)cc1 ZINC001220577266 804629429 /nfs/dbraw/zinc/62/94/29/804629429.db2.gz KMLHEQBGVVHHAZ-JTQLQIEISA-N 1 2 261.281 0.067 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001221140014 804735453 /nfs/dbraw/zinc/73/54/53/804735453.db2.gz ZAUALKIEUZXEDS-XQQFMLRXSA-N 1 2 288.363 0.489 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001221140014 804735456 /nfs/dbraw/zinc/73/54/56/804735456.db2.gz ZAUALKIEUZXEDS-XQQFMLRXSA-N 1 2 288.363 0.489 20 30 CCEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221488790 804824005 /nfs/dbraw/zinc/82/40/05/804824005.db2.gz YGJUEJGJUYSKQT-CHWSQXEVSA-N 1 2 277.368 0.198 20 30 CCEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221488790 804824011 /nfs/dbraw/zinc/82/40/11/804824011.db2.gz YGJUEJGJUYSKQT-CHWSQXEVSA-N 1 2 277.368 0.198 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001222637052 804922214 /nfs/dbraw/zinc/92/22/14/804922214.db2.gz XNJZIFVOAADSPL-GFCCVEGCSA-N 1 2 287.367 0.964 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(c3cccc(C#N)c3)C2)C1 ZINC001276953479 805012695 /nfs/dbraw/zinc/01/26/95/805012695.db2.gz LQNPGDHQWJDDPV-UHFFFAOYSA-N 1 2 284.363 0.768 20 30 CCEDLO CN1[C@@H]2C[C@@H](OCCC[NH+]3CCOCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224869056 805085378 /nfs/dbraw/zinc/08/53/78/805085378.db2.gz DBLLGDWYNAFFTQ-ABWMFPBJSA-N 1 2 282.384 0.338 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001226626000 805258234 /nfs/dbraw/zinc/25/82/34/805258234.db2.gz SEQWTCRCMOSGSG-LLVKDONJSA-N 1 2 273.340 0.717 20 30 CCEDLO Cc1cc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)nn1C ZINC001226625493 805258664 /nfs/dbraw/zinc/25/86/64/805258664.db2.gz KVKJFUMBAZNRDD-LLVKDONJSA-N 1 2 289.383 0.969 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576119 815063776 /nfs/dbraw/zinc/06/37/76/815063776.db2.gz NCJIJQCULWJFIJ-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO C=CCNC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001277173964 805309026 /nfs/dbraw/zinc/30/90/26/805309026.db2.gz PAYBSMHYPQHTBS-UHFFFAOYSA-N 1 2 288.351 0.800 20 30 CCEDLO C=CCNC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001277174116 805309867 /nfs/dbraw/zinc/30/98/67/805309867.db2.gz VFJHDFDWDNSDIM-UHFFFAOYSA-N 1 2 294.399 0.368 20 30 CCEDLO C#CCCCC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001227084772 805321267 /nfs/dbraw/zinc/32/12/67/805321267.db2.gz JCAFHOJFCCVYSA-UHFFFAOYSA-N 1 2 289.383 0.699 20 30 CCEDLO Cc1nnc(OC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC001229439359 805534476 /nfs/dbraw/zinc/53/44/76/805534476.db2.gz KEKNQEDTSZZOAP-NSHDSACASA-N 1 2 262.313 0.675 20 30 CCEDLO Cc1nnc(OC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC001229439359 805534481 /nfs/dbraw/zinc/53/44/81/805534481.db2.gz KEKNQEDTSZZOAP-NSHDSACASA-N 1 2 262.313 0.675 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001278592213 807609221 /nfs/dbraw/zinc/60/92/21/807609221.db2.gz ASXOOKLIDNGFPU-NXEZZACHSA-N 1 2 264.304 0.670 20 30 CCEDLO CC(C)n1ncc(C#N)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006385 807637467 /nfs/dbraw/zinc/63/74/67/807637467.db2.gz LHUROXHTKIMZDF-CYBMUJFWSA-N 1 2 293.371 0.441 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(F)c1F ZINC001251025975 807644780 /nfs/dbraw/zinc/64/47/80/807644780.db2.gz LDTZTRRLKUTMFU-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001251847992 807718867 /nfs/dbraw/zinc/71/88/67/807718867.db2.gz QZPGTRZGJCZVMQ-AWEZNQCLSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001251847992 807718868 /nfs/dbraw/zinc/71/88/68/807718868.db2.gz QZPGTRZGJCZVMQ-AWEZNQCLSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001251854342 807721765 /nfs/dbraw/zinc/72/17/65/807721765.db2.gz BKDVDDJNPFNKBI-RYUDHWBXSA-N 1 2 271.357 0.659 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001251854342 807721768 /nfs/dbraw/zinc/72/17/68/807721768.db2.gz BKDVDDJNPFNKBI-RYUDHWBXSA-N 1 2 271.357 0.659 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001251881664 807732636 /nfs/dbraw/zinc/73/26/36/807732636.db2.gz ZGFSQLNDTVKQMW-WDEREUQCSA-N 1 2 257.330 0.174 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](O)C1 ZINC001083484511 815154371 /nfs/dbraw/zinc/15/43/71/815154371.db2.gz MPDXCEFMJODYLO-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](O)C1 ZINC001083484511 815154374 /nfs/dbraw/zinc/15/43/74/815154374.db2.gz MPDXCEFMJODYLO-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001088793743 815163849 /nfs/dbraw/zinc/16/38/49/815163849.db2.gz QKQITHDMOAVOLO-MXWKQRLJSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001088793743 815163852 /nfs/dbraw/zinc/16/38/52/815163852.db2.gz QKQITHDMOAVOLO-MXWKQRLJSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571827 808081252 /nfs/dbraw/zinc/08/12/52/808081252.db2.gz JYRSBZUPDQOWPO-RYUDHWBXSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571827 808081261 /nfs/dbraw/zinc/08/12/61/808081261.db2.gz JYRSBZUPDQOWPO-RYUDHWBXSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253575704 808082018 /nfs/dbraw/zinc/08/20/18/808082018.db2.gz BLJUYRLRNVTSOF-UPJWGTAASA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253575704 808082024 /nfs/dbraw/zinc/08/20/24/808082024.db2.gz BLJUYRLRNVTSOF-UPJWGTAASA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571825 808082278 /nfs/dbraw/zinc/08/22/78/808082278.db2.gz JYRSBZUPDQOWPO-NEPJUHHUSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571825 808082286 /nfs/dbraw/zinc/08/22/86/808082286.db2.gz JYRSBZUPDQOWPO-NEPJUHHUSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253576953 808082995 /nfs/dbraw/zinc/08/29/95/808082995.db2.gz IVZUCDOXHNAXOJ-LLVKDONJSA-N 1 2 290.367 0.551 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253576953 808083002 /nfs/dbraw/zinc/08/30/02/808083002.db2.gz IVZUCDOXHNAXOJ-LLVKDONJSA-N 1 2 290.367 0.551 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126881463 815181027 /nfs/dbraw/zinc/18/10/27/815181027.db2.gz UOUJFTGAXHSLDW-VIFPVBQESA-N 1 2 262.313 0.558 20 30 CCEDLO CC[C@@H](CC#N)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001255158357 808324305 /nfs/dbraw/zinc/32/43/05/808324305.db2.gz JJYBEAJQVXPYOQ-CMPLNLGQSA-N 1 2 264.329 0.786 20 30 CCEDLO CCOC(=O)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001255259348 808338617 /nfs/dbraw/zinc/33/86/17/808338617.db2.gz ZMCUSSUEFABEAH-WXRRBKDZSA-N 1 2 265.357 0.906 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3n2)[C@@H](O)C1 ZINC001083525243 815212027 /nfs/dbraw/zinc/21/20/27/815212027.db2.gz HBXMWDPYMZARSG-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccc3n2)[C@@H](O)C1 ZINC001083525243 815212032 /nfs/dbraw/zinc/21/20/32/815212032.db2.gz HBXMWDPYMZARSG-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO N#C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCOC1 ZINC001262015929 809155959 /nfs/dbraw/zinc/15/59/59/809155959.db2.gz DUHPPTBGVQBKON-ZDUSSCGKSA-N 1 2 260.297 0.546 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001076321685 815276914 /nfs/dbraw/zinc/27/69/14/815276914.db2.gz OVGVLSURVSVDRK-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C#N)CCOCC1 ZINC001262660774 809387819 /nfs/dbraw/zinc/38/78/19/809387819.db2.gz AGANXZIEZVYHFO-ZDUSSCGKSA-N 1 2 275.352 0.521 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C#N)CCOCC1 ZINC001262660774 809387824 /nfs/dbraw/zinc/38/78/24/809387824.db2.gz AGANXZIEZVYHFO-ZDUSSCGKSA-N 1 2 275.352 0.521 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)CO)n2CC)CC1 ZINC001263038630 809427811 /nfs/dbraw/zinc/42/78/11/809427811.db2.gz JKCXIQGACPSFCU-ZDUSSCGKSA-N 1 2 291.399 0.539 20 30 CCEDLO C=C[C@H](O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC ZINC001263022224 809428010 /nfs/dbraw/zinc/42/80/10/809428010.db2.gz SZPPYXFUUQCMQH-LBPRGKRZSA-N 1 2 295.387 0.286 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001263815223 809576394 /nfs/dbraw/zinc/57/63/94/809576394.db2.gz UDMKTWVPXBVDAJ-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001263815223 809576395 /nfs/dbraw/zinc/57/63/95/809576395.db2.gz UDMKTWVPXBVDAJ-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C[C@@H](CC(=O)NCCCN(C)CC#N)n1cc[nH+]c1 ZINC001265042136 809698117 /nfs/dbraw/zinc/69/81/17/809698117.db2.gz SCTNQCFYGPLCSS-LBPRGKRZSA-N 1 2 263.345 0.796 20 30 CCEDLO C[C@H](CC(=O)NCCCN(C)CC#N)n1cc[nH+]c1 ZINC001265042135 809698839 /nfs/dbraw/zinc/69/88/39/809698839.db2.gz SCTNQCFYGPLCSS-GFCCVEGCSA-N 1 2 263.345 0.796 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001265203043 809722069 /nfs/dbraw/zinc/72/20/69/809722069.db2.gz BFAVCCRQENSRGL-GFCCVEGCSA-N 1 2 290.367 0.511 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001265203043 809722074 /nfs/dbraw/zinc/72/20/74/809722074.db2.gz BFAVCCRQENSRGL-GFCCVEGCSA-N 1 2 290.367 0.511 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001265220364 809727089 /nfs/dbraw/zinc/72/70/89/809727089.db2.gz KVLZXAUVEUWALG-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001265220364 809727091 /nfs/dbraw/zinc/72/70/91/809727091.db2.gz KVLZXAUVEUWALG-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)C(C)(F)F)CC1 ZINC001265264317 809735108 /nfs/dbraw/zinc/73/51/08/809735108.db2.gz LCVAKQVQIZMYAZ-LBPRGKRZSA-N 1 2 287.354 0.645 20 30 CCEDLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265265449 809736590 /nfs/dbraw/zinc/73/65/90/809736590.db2.gz YRTJUTWPZGRZNM-GOEBONIOSA-N 1 2 292.427 0.926 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265278525 809743480 /nfs/dbraw/zinc/74/34/80/809743480.db2.gz HOIXJMSKRPOXDA-ZDUSSCGKSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265278525 809743484 /nfs/dbraw/zinc/74/34/84/809743484.db2.gz HOIXJMSKRPOXDA-ZDUSSCGKSA-N 1 2 290.367 0.010 20 30 CCEDLO CC(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001265638547 809817032 /nfs/dbraw/zinc/81/70/32/809817032.db2.gz IRZMKHFELFJCQF-GFCCVEGCSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001265638547 809817034 /nfs/dbraw/zinc/81/70/34/809817034.db2.gz IRZMKHFELFJCQF-GFCCVEGCSA-N 1 2 280.372 0.253 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001076732496 815355516 /nfs/dbraw/zinc/35/55/16/815355516.db2.gz NXBAQUXJJRJAJS-ZIAGYGMSSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001076732496 815355523 /nfs/dbraw/zinc/35/55/23/815355523.db2.gz NXBAQUXJJRJAJS-ZIAGYGMSSA-N 1 2 276.336 0.695 20 30 CCEDLO N#Cc1nccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168367304 815357324 /nfs/dbraw/zinc/35/73/24/815357324.db2.gz KXYJZLNKBSSEOE-SNVBAGLBSA-N 1 2 259.313 0.045 20 30 CCEDLO N#Cc1nccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168367304 815357330 /nfs/dbraw/zinc/35/73/30/815357330.db2.gz KXYJZLNKBSSEOE-SNVBAGLBSA-N 1 2 259.313 0.045 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001076880568 815404282 /nfs/dbraw/zinc/40/42/82/815404282.db2.gz QGYNTNJOMWDNLS-CHWSQXEVSA-N 1 2 280.343 0.969 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001076880568 815404285 /nfs/dbraw/zinc/40/42/85/815404285.db2.gz QGYNTNJOMWDNLS-CHWSQXEVSA-N 1 2 280.343 0.969 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267262933 811063399 /nfs/dbraw/zinc/06/33/99/811063399.db2.gz DVANVJOHEWHXBH-GFCCVEGCSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267262933 811063404 /nfs/dbraw/zinc/06/34/04/811063404.db2.gz DVANVJOHEWHXBH-GFCCVEGCSA-N 1 2 293.371 0.098 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CC(=O)NCC)C1CC1 ZINC001267325683 811159512 /nfs/dbraw/zinc/15/95/12/811159512.db2.gz IYLNAIWRZHYULR-UHFFFAOYSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CC(=O)NCC)C1CC1 ZINC001267325683 811159519 /nfs/dbraw/zinc/15/95/19/811159519.db2.gz IYLNAIWRZHYULR-UHFFFAOYSA-N 1 2 287.791 0.846 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001038288335 811225491 /nfs/dbraw/zinc/22/54/91/811225491.db2.gz PAKJZXCTBBZXIT-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001038288335 811225497 /nfs/dbraw/zinc/22/54/97/811225497.db2.gz PAKJZXCTBBZXIT-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(CC#N)C1 ZINC001267488431 811369585 /nfs/dbraw/zinc/36/95/85/811369585.db2.gz MAYJVYKBHCVQGY-CYBMUJFWSA-N 1 2 289.383 0.799 20 30 CCEDLO C#CC[NH2+][C@@H](CNC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC001267525719 811405130 /nfs/dbraw/zinc/40/51/30/811405130.db2.gz NWTITRNGCYTXFO-ZDUSSCGKSA-N 1 2 283.335 0.428 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001077126725 815449097 /nfs/dbraw/zinc/44/90/97/815449097.db2.gz MFXZNIPLOYTBEL-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001077126725 815449099 /nfs/dbraw/zinc/44/90/99/815449099.db2.gz MFXZNIPLOYTBEL-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595711 811461981 /nfs/dbraw/zinc/46/19/81/811461981.db2.gz WBPUMJKENDGPJB-AWEZNQCLSA-N 1 2 287.367 0.574 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CCNCC#N ZINC001104729098 811561343 /nfs/dbraw/zinc/56/13/43/811561343.db2.gz OLSIHYSISVSXQL-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001267620475 811578081 /nfs/dbraw/zinc/57/80/81/811578081.db2.gz CCHCVHCAZFDHAC-LBPRGKRZSA-N 1 2 278.356 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001267620475 811578091 /nfs/dbraw/zinc/57/80/91/811578091.db2.gz CCHCVHCAZFDHAC-LBPRGKRZSA-N 1 2 278.356 0.007 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001267639301 811600183 /nfs/dbraw/zinc/60/01/83/811600183.db2.gz CHDKBGQMKBJICE-NEPJUHHUSA-N 1 2 270.373 0.803 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001077239881 815465049 /nfs/dbraw/zinc/46/50/49/815465049.db2.gz UPTBNIQHBUXPAC-VXGBXAGGSA-N 1 2 261.325 0.040 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001077239881 815465053 /nfs/dbraw/zinc/46/50/53/815465053.db2.gz UPTBNIQHBUXPAC-VXGBXAGGSA-N 1 2 261.325 0.040 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nonc3C)[C@H]2C1 ZINC001083291397 811717832 /nfs/dbraw/zinc/71/78/32/811717832.db2.gz FHGUIMOOMJYXFA-WDEREUQCSA-N 1 2 278.312 0.089 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nonc3C)[C@H]2C1 ZINC001083291397 811717840 /nfs/dbraw/zinc/71/78/40/811717840.db2.gz FHGUIMOOMJYXFA-WDEREUQCSA-N 1 2 278.312 0.089 20 30 CCEDLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741346 811723279 /nfs/dbraw/zinc/72/32/79/811723279.db2.gz TYBNWIJGPJDYMT-CYBMUJFWSA-N 1 2 291.395 0.505 20 30 CCEDLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741346 811723284 /nfs/dbraw/zinc/72/32/84/811723284.db2.gz TYBNWIJGPJDYMT-CYBMUJFWSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001077268879 815470685 /nfs/dbraw/zinc/47/06/85/815470685.db2.gz ACRDTGYDEFZFQK-GHMZBOCLSA-N 1 2 254.305 0.063 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001077268879 815470689 /nfs/dbraw/zinc/47/06/89/815470689.db2.gz ACRDTGYDEFZFQK-GHMZBOCLSA-N 1 2 254.305 0.063 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267766831 811763491 /nfs/dbraw/zinc/76/34/91/811763491.db2.gz ASZSQMPCRPXIST-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267766831 811763499 /nfs/dbraw/zinc/76/34/99/811763499.db2.gz ASZSQMPCRPXIST-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001267957180 811893793 /nfs/dbraw/zinc/89/37/93/811893793.db2.gz PPWQIAPBCMAHKS-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001267957180 811893803 /nfs/dbraw/zinc/89/38/03/811893803.db2.gz PPWQIAPBCMAHKS-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO Cc1nonc1C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988382 811968952 /nfs/dbraw/zinc/96/89/52/811968952.db2.gz UPKJPKKENOYRQK-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC2(COC)CC2)C1 ZINC001268022304 811972104 /nfs/dbraw/zinc/97/21/04/811972104.db2.gz ONMKKJWCTKHPHO-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC2(COC)CC2)C1 ZINC001268022304 811972106 /nfs/dbraw/zinc/97/21/06/811972106.db2.gz ONMKKJWCTKHPHO-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001077380080 815488546 /nfs/dbraw/zinc/48/85/46/815488546.db2.gz DGSZNTXNDLGCJR-CHWSQXEVSA-N 1 2 291.351 0.514 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001077380080 815488550 /nfs/dbraw/zinc/48/85/50/815488550.db2.gz DGSZNTXNDLGCJR-CHWSQXEVSA-N 1 2 291.351 0.514 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369777 815504774 /nfs/dbraw/zinc/50/47/74/815504774.db2.gz MNPVCAYRRBJCMZ-LLVKDONJSA-N 1 2 298.350 0.803 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369777 815504778 /nfs/dbraw/zinc/50/47/78/815504778.db2.gz MNPVCAYRRBJCMZ-LLVKDONJSA-N 1 2 298.350 0.803 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CO[C@@H](C)CC)[C@H](OC)C1 ZINC001212130647 815523770 /nfs/dbraw/zinc/52/37/70/815523770.db2.gz AVLBAUPMNHMWAG-YNEHKIRRSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CO[C@@H](C)CC)[C@H](OC)C1 ZINC001212130647 815523774 /nfs/dbraw/zinc/52/37/74/815523774.db2.gz AVLBAUPMNHMWAG-YNEHKIRRSA-N 1 2 268.357 0.250 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001075621134 812500007 /nfs/dbraw/zinc/50/00/07/812500007.db2.gz PMAXWDPOAGKKCQ-MBNYWOFBSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001075621134 812500009 /nfs/dbraw/zinc/50/00/09/812500009.db2.gz PMAXWDPOAGKKCQ-MBNYWOFBSA-N 1 2 287.367 0.612 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709890887 812574452 /nfs/dbraw/zinc/57/44/52/812574452.db2.gz PBWRGIIBIZDOLD-DTWKUNHWSA-N 1 2 279.262 0.119 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709890887 812574454 /nfs/dbraw/zinc/57/44/54/812574454.db2.gz PBWRGIIBIZDOLD-DTWKUNHWSA-N 1 2 279.262 0.119 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CNC(=O)c2ccccc2)C1 ZINC001268474699 812632057 /nfs/dbraw/zinc/63/20/57/812632057.db2.gz PWTDTEIMHVFSBX-UHFFFAOYSA-N 1 2 287.363 0.793 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001126366062 812682394 /nfs/dbraw/zinc/68/23/94/812682394.db2.gz QHPQEGZMZMNQRN-AWEZNQCLSA-N 1 2 296.371 0.555 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)C1 ZINC001268491117 812684270 /nfs/dbraw/zinc/68/42/70/812684270.db2.gz DETJAPGPYHGZOA-HIFRSBDPSA-N 1 2 294.395 0.784 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001126366400 812688058 /nfs/dbraw/zinc/68/80/58/812688058.db2.gz UYKUUYGXABSTCQ-CYBMUJFWSA-N 1 2 264.329 0.010 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 ZINC001211808183 812747200 /nfs/dbraw/zinc/74/72/00/812747200.db2.gz UVNHWBLRASYCTP-CHWSQXEVSA-N 1 2 295.383 0.070 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 ZINC001211808183 812747203 /nfs/dbraw/zinc/74/72/03/812747203.db2.gz UVNHWBLRASYCTP-CHWSQXEVSA-N 1 2 295.383 0.070 20 30 CCEDLO N#CCSCC(=O)NC/C=C/C[NH2+]Cc1nncs1 ZINC001268515274 812753740 /nfs/dbraw/zinc/75/37/40/812753740.db2.gz ULUOZSHOQZLKNF-OWOJBTEDSA-N 1 2 297.409 0.557 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001083619769 815556580 /nfs/dbraw/zinc/55/65/80/815556580.db2.gz FPWKILPSAAGDCU-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001083619769 815556585 /nfs/dbraw/zinc/55/65/85/815556585.db2.gz FPWKILPSAAGDCU-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268729581 813045673 /nfs/dbraw/zinc/04/56/73/813045673.db2.gz HGCASWJBILMYSL-QWHCGFSZSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268729581 813045679 /nfs/dbraw/zinc/04/56/79/813045679.db2.gz HGCASWJBILMYSL-QWHCGFSZSA-N 1 2 292.383 0.395 20 30 CCEDLO O=C(CCS)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268960073 813161768 /nfs/dbraw/zinc/16/17/68/813161768.db2.gz WAUTYXHUXFCVOX-UHFFFAOYSA-N 1 2 266.370 0.374 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001269126240 813229584 /nfs/dbraw/zinc/22/95/84/813229584.db2.gz FQJXNJRQODMNFS-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001269126240 813229586 /nfs/dbraw/zinc/22/95/86/813229586.db2.gz FQJXNJRQODMNFS-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001269206642 813266388 /nfs/dbraw/zinc/26/63/88/813266388.db2.gz ZYKWGVKYJXDYPU-MNOVXSKESA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001269206642 813266395 /nfs/dbraw/zinc/26/63/95/813266395.db2.gz ZYKWGVKYJXDYPU-MNOVXSKESA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)/C(C)=C\C)C1=O ZINC001269213552 813273331 /nfs/dbraw/zinc/27/33/31/813273331.db2.gz AZAINEIUMJJEPG-YCYRZOEZSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)/C(C)=C\C)C1=O ZINC001269213552 813273333 /nfs/dbraw/zinc/27/33/33/813273333.db2.gz AZAINEIUMJJEPG-YCYRZOEZSA-N 1 2 291.395 0.930 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001269240697 813285290 /nfs/dbraw/zinc/28/52/90/813285290.db2.gz NIZDOPVVNFANGV-NEPJUHHUSA-N 1 2 293.367 0.338 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001269240697 813285295 /nfs/dbraw/zinc/28/52/95/813285295.db2.gz NIZDOPVVNFANGV-NEPJUHHUSA-N 1 2 293.367 0.338 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001269298396 813314329 /nfs/dbraw/zinc/31/43/29/813314329.db2.gz INKPJRUJGIKJAC-CHWSQXEVSA-N 1 2 288.351 0.661 20 30 CCEDLO N#CCNCC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001269566797 813422296 /nfs/dbraw/zinc/42/22/96/813422296.db2.gz GMQRAALFKDXPOA-UHFFFAOYSA-N 1 2 275.356 0.815 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)CNC(C)=O)C1 ZINC001269861857 813537098 /nfs/dbraw/zinc/53/70/98/813537098.db2.gz MTHKZVNLIJGDOJ-UHFFFAOYSA-N 1 2 279.384 0.315 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875353 813613352 /nfs/dbraw/zinc/61/33/52/813613352.db2.gz BFYIIKXQYCBIGT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875353 813613355 /nfs/dbraw/zinc/61/33/55/813613355.db2.gz BFYIIKXQYCBIGT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875353 813613361 /nfs/dbraw/zinc/61/33/61/813613361.db2.gz BFYIIKXQYCBIGT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875353 813613367 /nfs/dbraw/zinc/61/33/67/813613367.db2.gz BFYIIKXQYCBIGT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001270105788 813638269 /nfs/dbraw/zinc/63/82/69/813638269.db2.gz SXQJGXAQOGXNPV-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)COC)C1 ZINC001270630013 813856127 /nfs/dbraw/zinc/85/61/27/813856127.db2.gz VVRHKRDCHOHXRT-VXGBXAGGSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)COC)C1 ZINC001270630013 813856136 /nfs/dbraw/zinc/85/61/36/813856136.db2.gz VVRHKRDCHOHXRT-VXGBXAGGSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001270638580 813866207 /nfs/dbraw/zinc/86/62/07/813866207.db2.gz OCHLRNRATHURBA-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001270638580 813866214 /nfs/dbraw/zinc/86/62/14/813866214.db2.gz OCHLRNRATHURBA-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001270717266 813904797 /nfs/dbraw/zinc/90/47/97/813904797.db2.gz ZUQASKZEEOFDGE-UONOGXRCSA-N 1 2 286.379 0.959 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001270717266 813904802 /nfs/dbraw/zinc/90/48/02/813904802.db2.gz ZUQASKZEEOFDGE-UONOGXRCSA-N 1 2 286.379 0.959 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413448 814029566 /nfs/dbraw/zinc/02/95/66/814029566.db2.gz OLFQJYYHAKCWKP-WQAKAFBOSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413448 814029569 /nfs/dbraw/zinc/02/95/69/814029569.db2.gz OLFQJYYHAKCWKP-WQAKAFBOSA-N 1 2 294.330 0.409 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](O)C1 ZINC001083417939 814228182 /nfs/dbraw/zinc/22/81/82/814228182.db2.gz JYXZOHLOIOTYBD-NEPJUHHUSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](O)C1 ZINC001083417939 814228190 /nfs/dbraw/zinc/22/81/90/814228190.db2.gz JYXZOHLOIOTYBD-NEPJUHHUSA-N 1 2 279.365 0.250 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001042532546 814319525 /nfs/dbraw/zinc/31/95/25/814319525.db2.gz ADPPQBPZOASFTL-QWRGUYRKSA-N 1 2 252.314 0.124 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](O)C1 ZINC001083422514 814423905 /nfs/dbraw/zinc/42/39/05/814423905.db2.gz BEPHUGVDAXLVAC-PWSUYJOCSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](O)C1 ZINC001083422514 814423910 /nfs/dbraw/zinc/42/39/10/814423910.db2.gz BEPHUGVDAXLVAC-PWSUYJOCSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001127052507 815606587 /nfs/dbraw/zinc/60/65/87/815606587.db2.gz ZAWMFAGEDXFFES-QWRGUYRKSA-N 1 2 294.355 0.437 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C ZINC001271957133 814651187 /nfs/dbraw/zinc/65/11/87/814651187.db2.gz JKZMCZWAPTVMIB-NEPJUHHUSA-N 1 2 267.373 0.335 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C ZINC001271957133 814651193 /nfs/dbraw/zinc/65/11/93/814651193.db2.gz JKZMCZWAPTVMIB-NEPJUHHUSA-N 1 2 267.373 0.335 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC(C)C1 ZINC001271990451 814667221 /nfs/dbraw/zinc/66/72/21/814667221.db2.gz QPQGSHHNWOIXOP-UHFFFAOYSA-N 1 2 281.400 0.725 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC(C)C1 ZINC001271990451 814667226 /nfs/dbraw/zinc/66/72/26/814667226.db2.gz QPQGSHHNWOIXOP-UHFFFAOYSA-N 1 2 281.400 0.725 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059665383 814695759 /nfs/dbraw/zinc/69/57/59/814695759.db2.gz QAGDCBQNMJAQEV-BETUJISGSA-N 1 2 296.334 0.909 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC001030203270 815884657 /nfs/dbraw/zinc/88/46/57/815884657.db2.gz GQHCJZUEMWBAPV-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CC2OCCCO2)C1 ZINC001030249299 815928492 /nfs/dbraw/zinc/92/84/92/815928492.db2.gz QATNRQFGWBMQOT-UHFFFAOYSA-N 1 2 254.330 0.516 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001030330644 815978528 /nfs/dbraw/zinc/97/85/28/815978528.db2.gz QEMDZXOUWJVODV-LLVKDONJSA-N 1 2 262.357 0.900 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)CCC3)C1 ZINC001030333574 815978783 /nfs/dbraw/zinc/97/87/83/815978783.db2.gz RTLFYMKNDXJUMI-UHFFFAOYSA-N 1 2 260.341 0.819 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc3[nH]cnc32)C1 ZINC001030344858 815986798 /nfs/dbraw/zinc/98/67/98/815986798.db2.gz ACPCWCREBJEMLA-UHFFFAOYSA-N 1 2 271.324 0.948 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001030394968 816010359 /nfs/dbraw/zinc/01/03/59/816010359.db2.gz ONIFKKUFCHFZDX-GFCCVEGCSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001030394969 816010415 /nfs/dbraw/zinc/01/04/15/816010415.db2.gz ONIFKKUFCHFZDX-LBPRGKRZSA-N 1 2 291.395 0.457 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001077468142 816036360 /nfs/dbraw/zinc/03/63/60/816036360.db2.gz VITREZRXUAUXSF-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001077468142 816036367 /nfs/dbraw/zinc/03/63/67/816036367.db2.gz VITREZRXUAUXSF-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001030472946 816053499 /nfs/dbraw/zinc/05/34/99/816053499.db2.gz VUUNZXZARUTVFT-CQSZACIVSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001030552721 816104058 /nfs/dbraw/zinc/10/40/58/816104058.db2.gz NOANWPXXJZEXLZ-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001030637344 816174143 /nfs/dbraw/zinc/17/41/43/816174143.db2.gz VRUZVKREGHPAKI-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)F)nn2C)C1 ZINC001030671758 816201227 /nfs/dbraw/zinc/20/12/27/816201227.db2.gz AMEUTBFGUUBYHN-UHFFFAOYSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COCCN2CCCC)C1 ZINC001030738199 816258143 /nfs/dbraw/zinc/25/81/43/816258143.db2.gz YCIPEAUUEPAHRE-OAHLLOKOSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001030744010 816260203 /nfs/dbraw/zinc/26/02/03/816260203.db2.gz ZWBQWUVOMAXVOY-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001030939725 816470674 /nfs/dbraw/zinc/47/06/74/816470674.db2.gz HIILUJHAZDNCIP-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC001272538808 816561692 /nfs/dbraw/zinc/56/16/92/816561692.db2.gz UCNQCRLQZMWWOL-HNNXBMFYSA-N 1 2 288.351 0.094 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC001272538808 816561697 /nfs/dbraw/zinc/56/16/97/816561697.db2.gz UCNQCRLQZMWWOL-HNNXBMFYSA-N 1 2 288.351 0.094 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc[nH]n1 ZINC001272539189 816563201 /nfs/dbraw/zinc/56/32/01/816563201.db2.gz VOANJPJNABFCPX-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc[nH]n1 ZINC001272539189 816563204 /nfs/dbraw/zinc/56/32/04/816563204.db2.gz VOANJPJNABFCPX-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO N#Cc1cccc(CN2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001031017161 816567945 /nfs/dbraw/zinc/56/79/45/816567945.db2.gz OKRBRRNRHQVGER-UHFFFAOYSA-N 1 2 295.346 0.824 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001031038848 816596013 /nfs/dbraw/zinc/59/60/13/816596013.db2.gz SYNTWOJDWMGNMN-RYUDHWBXSA-N 1 2 279.384 0.655 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001031062267 816617929 /nfs/dbraw/zinc/61/79/29/816617929.db2.gz LVCXJZRCIMHGAN-AWEZNQCLSA-N 1 2 289.379 0.211 20 30 CCEDLO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001106362182 816748296 /nfs/dbraw/zinc/74/82/96/816748296.db2.gz JGXJPJFWRULZIJ-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CCNc1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106362008 816748434 /nfs/dbraw/zinc/74/84/34/816748434.db2.gz HLVKNNFEPBKERD-GFCCVEGCSA-N 1 2 298.350 0.579 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 ZINC001077538283 816754503 /nfs/dbraw/zinc/75/45/03/816754503.db2.gz YOEHRZDJQUCSQZ-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 ZINC001077538283 816754508 /nfs/dbraw/zinc/75/45/08/816754508.db2.gz YOEHRZDJQUCSQZ-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001031323161 816978294 /nfs/dbraw/zinc/97/82/94/816978294.db2.gz VOWOSFYZTLARFV-LBPRGKRZSA-N 1 2 286.379 0.903 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001031427377 817048929 /nfs/dbraw/zinc/04/89/29/817048929.db2.gz WJQUFTNYMTVPFD-NSHDSACASA-N 1 2 275.356 0.217 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031575658 817156445 /nfs/dbraw/zinc/15/64/45/817156445.db2.gz BTWVNMCDRCDCIY-UHFFFAOYSA-N 1 2 268.748 0.834 20 30 CCEDLO Cn1cncc1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622405 817190330 /nfs/dbraw/zinc/19/03/30/817190330.db2.gz CQDJMHFQIHUPQB-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031657370 817223356 /nfs/dbraw/zinc/22/33/56/817223356.db2.gz WNFKHHITUFGFTH-UHFFFAOYSA-N 1 2 254.721 0.824 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)c1nc(C2CC2)no1 ZINC001124908411 817631942 /nfs/dbraw/zinc/63/19/42/817631942.db2.gz KAFQIYJCFFIELP-DTWKUNHWSA-N 1 2 277.328 0.873 20 30 CCEDLO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001032126323 817656301 /nfs/dbraw/zinc/65/63/01/817656301.db2.gz AYLDJYSKPIWDNO-LLVKDONJSA-N 1 2 275.356 0.144 20 30 CCEDLO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001032126323 817656306 /nfs/dbraw/zinc/65/63/06/817656306.db2.gz AYLDJYSKPIWDNO-LLVKDONJSA-N 1 2 275.356 0.144 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3CC3)nn2)C1 ZINC001107116676 817766413 /nfs/dbraw/zinc/76/64/13/817766413.db2.gz BCHDSOGGYDZCBR-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)OC)nn2)C1 ZINC001107144616 817793382 /nfs/dbraw/zinc/79/33/82/817793382.db2.gz XLBXXJMCKVDFIO-NSHDSACASA-N 1 2 293.371 0.362 20 30 CCEDLO N#Cc1cncc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)n1 ZINC001107240169 817816637 /nfs/dbraw/zinc/81/66/37/817816637.db2.gz IINMNJAXGGSXIM-UPHRSURJSA-N 1 2 297.322 0.329 20 30 CCEDLO N#Cc1cnc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001107539535 817876518 /nfs/dbraw/zinc/87/65/18/817876518.db2.gz OCXGZINYWHHDHP-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001077624573 817884335 /nfs/dbraw/zinc/88/43/35/817884335.db2.gz RSQPFWWIGNUFNF-NXEZZACHSA-N 1 2 270.716 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001077624573 817884339 /nfs/dbraw/zinc/88/43/39/817884339.db2.gz RSQPFWWIGNUFNF-NXEZZACHSA-N 1 2 270.716 0.894 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(F)F)C1 ZINC001107673513 817930869 /nfs/dbraw/zinc/93/08/69/817930869.db2.gz NRMWOYOVAAZNQQ-LBPRGKRZSA-N 1 2 260.284 0.482 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(F)F)C1 ZINC001107673513 817930879 /nfs/dbraw/zinc/93/08/79/817930879.db2.gz NRMWOYOVAAZNQQ-LBPRGKRZSA-N 1 2 260.284 0.482 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001107694898 817945745 /nfs/dbraw/zinc/94/57/45/817945745.db2.gz PTGSALXZJKDJNP-INIZCTEOSA-N 1 2 287.363 0.926 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001107694898 817945749 /nfs/dbraw/zinc/94/57/49/817945749.db2.gz PTGSALXZJKDJNP-INIZCTEOSA-N 1 2 287.363 0.926 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CSC)C1 ZINC001107718379 817960429 /nfs/dbraw/zinc/96/04/29/817960429.db2.gz HDZPQIPGZTYCMT-CYBMUJFWSA-N 1 2 270.398 0.580 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CSC)C1 ZINC001107718379 817960435 /nfs/dbraw/zinc/96/04/35/817960435.db2.gz HDZPQIPGZTYCMT-CYBMUJFWSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001077676661 817982210 /nfs/dbraw/zinc/98/22/10/817982210.db2.gz DWCXDJRGLDTCOS-ZIAGYGMSSA-N 1 2 287.363 0.690 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001077676661 817982215 /nfs/dbraw/zinc/98/22/15/817982215.db2.gz DWCXDJRGLDTCOS-ZIAGYGMSSA-N 1 2 287.363 0.690 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001089977756 818110354 /nfs/dbraw/zinc/11/03/54/818110354.db2.gz YANSSTHCTVKCCG-LSDHHAIUSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001089977756 818110357 /nfs/dbraw/zinc/11/03/57/818110357.db2.gz YANSSTHCTVKCCG-LSDHHAIUSA-N 1 2 291.326 0.769 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC001038082030 818122498 /nfs/dbraw/zinc/12/24/98/818122498.db2.gz HPWSQESRRKALKI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnns1 ZINC001038082030 818122503 /nfs/dbraw/zinc/12/25/03/818122503.db2.gz HPWSQESRRKALKI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090053374 818367395 /nfs/dbraw/zinc/36/73/95/818367395.db2.gz AGOOVPHYYURYPL-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001090053374 818367397 /nfs/dbraw/zinc/36/73/97/818367397.db2.gz AGOOVPHYYURYPL-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](O)C1 ZINC001083824263 818468528 /nfs/dbraw/zinc/46/85/28/818468528.db2.gz MXYJOEHMXOLXMU-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](O)C1 ZINC001083824263 818468532 /nfs/dbraw/zinc/46/85/32/818468532.db2.gz MXYJOEHMXOLXMU-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCN(CC#N)C1 ZINC001033164522 818593747 /nfs/dbraw/zinc/59/37/47/818593747.db2.gz HITAWRASYZWUGM-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033164522 818593754 /nfs/dbraw/zinc/59/37/54/818593754.db2.gz HITAWRASYZWUGM-QJPTWQEYSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(CC#N)C1 ZINC001033206847 818649716 /nfs/dbraw/zinc/64/97/16/818649716.db2.gz LDSHHPAZMXXCPL-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033335601 818721031 /nfs/dbraw/zinc/72/10/31/818721031.db2.gz BMVVKOTVHDACAO-NEPJUHHUSA-N 1 2 299.802 0.892 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033335601 818721037 /nfs/dbraw/zinc/72/10/37/818721037.db2.gz BMVVKOTVHDACAO-NEPJUHHUSA-N 1 2 299.802 0.892 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001033422377 818770381 /nfs/dbraw/zinc/77/03/81/818770381.db2.gz RHAXXJFWIKEYJK-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001033422377 818770387 /nfs/dbraw/zinc/77/03/87/818770387.db2.gz RHAXXJFWIKEYJK-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033960423 819019331 /nfs/dbraw/zinc/01/93/31/819019331.db2.gz UEYOPMBKMTYCAP-TUAOUCFPSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033960423 819019336 /nfs/dbraw/zinc/01/93/36/819019336.db2.gz UEYOPMBKMTYCAP-TUAOUCFPSA-N 1 2 299.802 0.783 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225192 819134490 /nfs/dbraw/zinc/13/44/90/819134490.db2.gz GQINTGNARXPNLN-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225192 819134493 /nfs/dbraw/zinc/13/44/93/819134493.db2.gz GQINTGNARXPNLN-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348807 819179961 /nfs/dbraw/zinc/17/99/61/819179961.db2.gz FXTPQDXIOOFMDX-SNVBAGLBSA-N 1 2 298.778 0.547 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348807 819179965 /nfs/dbraw/zinc/17/99/65/819179965.db2.gz FXTPQDXIOOFMDX-SNVBAGLBSA-N 1 2 298.778 0.547 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCF)C1 ZINC001108131920 819267696 /nfs/dbraw/zinc/26/76/96/819267696.db2.gz DYITVLLAJGOYPA-AWEZNQCLSA-N 1 2 270.348 0.967 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCF)C1 ZINC001108131920 819267701 /nfs/dbraw/zinc/26/77/01/819267701.db2.gz DYITVLLAJGOYPA-AWEZNQCLSA-N 1 2 270.348 0.967 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@H](CO)C1 ZINC000703850629 819333158 /nfs/dbraw/zinc/33/31/58/819333158.db2.gz WTSRDWCHWBCWPK-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@H](CO)C1 ZINC000703850629 819333164 /nfs/dbraw/zinc/33/31/64/819333164.db2.gz WTSRDWCHWBCWPK-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315770 819464693 /nfs/dbraw/zinc/46/46/93/819464693.db2.gz FOTGREHSYNJSMF-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315770 819464701 /nfs/dbraw/zinc/46/47/01/819464701.db2.gz FOTGREHSYNJSMF-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035318166 819467216 /nfs/dbraw/zinc/46/72/16/819467216.db2.gz AERICEKQASRVBK-OAHLLOKOSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035318166 819467221 /nfs/dbraw/zinc/46/72/21/819467221.db2.gz AERICEKQASRVBK-OAHLLOKOSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339759 819480373 /nfs/dbraw/zinc/48/03/73/819480373.db2.gz AXVSHVQCPOVVIH-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339759 819480379 /nfs/dbraw/zinc/48/03/79/819480379.db2.gz AXVSHVQCPOVVIH-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC001035389101 819505536 /nfs/dbraw/zinc/50/55/36/819505536.db2.gz AESQHZLJWPRMJG-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC001035389101 819505543 /nfs/dbraw/zinc/50/55/43/819505543.db2.gz AESQHZLJWPRMJG-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001035478696 819530863 /nfs/dbraw/zinc/53/08/63/819530863.db2.gz PQETVBRIEQNUOJ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001035478696 819530867 /nfs/dbraw/zinc/53/08/67/819530867.db2.gz PQETVBRIEQNUOJ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035469463 819538391 /nfs/dbraw/zinc/53/83/91/819538391.db2.gz ZDHPBZXZPYHCRR-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035469463 819538396 /nfs/dbraw/zinc/53/83/96/819538396.db2.gz ZDHPBZXZPYHCRR-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539751 819551503 /nfs/dbraw/zinc/55/15/03/819551503.db2.gz NPTHYPWIJNRPPJ-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539751 819551508 /nfs/dbraw/zinc/55/15/08/819551508.db2.gz NPTHYPWIJNRPPJ-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC001035569544 819560553 /nfs/dbraw/zinc/56/05/53/819560553.db2.gz LWESHGRFROWMSG-LBPRGKRZSA-N 1 2 292.339 0.102 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC001035569544 819560558 /nfs/dbraw/zinc/56/05/58/819560558.db2.gz LWESHGRFROWMSG-LBPRGKRZSA-N 1 2 292.339 0.102 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001035582016 819576022 /nfs/dbraw/zinc/57/60/22/819576022.db2.gz TVZIUFFJNNQDRQ-LBPRGKRZSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001035582016 819576025 /nfs/dbraw/zinc/57/60/25/819576025.db2.gz TVZIUFFJNNQDRQ-LBPRGKRZSA-N 1 2 291.351 0.002 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001083890185 820102318 /nfs/dbraw/zinc/10/23/18/820102318.db2.gz UGEGTCHTUBWFNB-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](O)C1 ZINC001083890185 820102323 /nfs/dbraw/zinc/10/23/23/820102323.db2.gz UGEGTCHTUBWFNB-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](O)C1 ZINC001083922545 820273358 /nfs/dbraw/zinc/27/33/58/820273358.db2.gz YOHVSCSDUZKHEU-MNOVXSKESA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](O)C1 ZINC001083922545 820273363 /nfs/dbraw/zinc/27/33/63/820273363.db2.gz YOHVSCSDUZKHEU-MNOVXSKESA-N 1 2 279.340 0.506 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H](O)C1 ZINC001083931757 820298419 /nfs/dbraw/zinc/29/84/19/820298419.db2.gz CMQUDJJGYJOMAI-NEPJUHHUSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H](O)C1 ZINC001083931757 820298426 /nfs/dbraw/zinc/29/84/26/820298426.db2.gz CMQUDJJGYJOMAI-NEPJUHHUSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](O)C1 ZINC001083931757 820298432 /nfs/dbraw/zinc/29/84/32/820298432.db2.gz CMQUDJJGYJOMAI-NEPJUHHUSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](O)C1 ZINC001083931757 820298442 /nfs/dbraw/zinc/29/84/42/820298442.db2.gz CMQUDJJGYJOMAI-NEPJUHHUSA-N 1 2 290.367 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](O)C1 ZINC001083933819 820305743 /nfs/dbraw/zinc/30/57/43/820305743.db2.gz TZKOAMATFFCPDX-OLZOCXBDSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](O)C1 ZINC001083933819 820305752 /nfs/dbraw/zinc/30/57/52/820305752.db2.gz TZKOAMATFFCPDX-OLZOCXBDSA-N 1 2 262.353 0.217 20 30 CCEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001080347431 820556121 /nfs/dbraw/zinc/55/61/21/820556121.db2.gz QVQXHVYZLWQMJX-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001081475118 820769897 /nfs/dbraw/zinc/76/98/97/820769897.db2.gz XHACJDUQDAVMDP-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001081475118 820769902 /nfs/dbraw/zinc/76/99/02/820769902.db2.gz XHACJDUQDAVMDP-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081437722 820773860 /nfs/dbraw/zinc/77/38/60/820773860.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081437722 820773867 /nfs/dbraw/zinc/77/38/67/820773867.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 ZINC001081437722 820773874 /nfs/dbraw/zinc/77/38/74/820773874.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 ZINC001081437722 820773878 /nfs/dbraw/zinc/77/38/78/820773878.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@H](OC)C1 ZINC001081781193 820827586 /nfs/dbraw/zinc/82/75/86/820827586.db2.gz KTTXWNGXCGUMFR-NXEZZACHSA-N 1 2 296.758 0.434 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@H](OC)C1 ZINC001081781193 820827593 /nfs/dbraw/zinc/82/75/93/820827593.db2.gz KTTXWNGXCGUMFR-NXEZZACHSA-N 1 2 296.758 0.434 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@H](OC)C1 ZINC001081984006 820871633 /nfs/dbraw/zinc/87/16/33/820871633.db2.gz QHNRKERYPJNDOB-TZMCWYRMSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@H](OC)C1 ZINC001081984006 820871641 /nfs/dbraw/zinc/87/16/41/820871641.db2.gz QHNRKERYPJNDOB-TZMCWYRMSA-N 1 2 290.367 0.526 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 ZINC001082217813 820918394 /nfs/dbraw/zinc/91/83/94/820918394.db2.gz OSVUDESIUUNLJG-VXGBXAGGSA-N 1 2 276.340 0.170 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 ZINC001082217813 820918399 /nfs/dbraw/zinc/91/83/99/820918399.db2.gz OSVUDESIUUNLJG-VXGBXAGGSA-N 1 2 276.340 0.170 20 30 CCEDLO CN(C)C(=O)c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164641388 821000082 /nfs/dbraw/zinc/00/00/82/821000082.db2.gz KPVIEFLETJIUKI-LLVKDONJSA-N 1 2 259.313 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC001082987016 821092676 /nfs/dbraw/zinc/09/26/76/821092676.db2.gz HORPOGXQNXPWIC-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC001082987016 821092686 /nfs/dbraw/zinc/09/26/86/821092686.db2.gz HORPOGXQNXPWIC-LSDHHAIUSA-N 1 2 288.322 0.984 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCO3)[C@H]2C1 ZINC001083046729 821126677 /nfs/dbraw/zinc/12/66/77/821126677.db2.gz OQOOVXDISHYDTL-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCO3)[C@H]2C1 ZINC001083046729 821126684 /nfs/dbraw/zinc/12/66/84/821126684.db2.gz OQOOVXDISHYDTL-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCO3)[C@H]2C1 ZINC001083051341 821129472 /nfs/dbraw/zinc/12/94/72/821129472.db2.gz BXCOXMFJFOKYHA-RRFJBIMHSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCO3)[C@H]2C1 ZINC001083051341 821129475 /nfs/dbraw/zinc/12/94/75/821129475.db2.gz BXCOXMFJFOKYHA-RRFJBIMHSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)C3CC3)[C@H]2C1 ZINC001083068235 821135095 /nfs/dbraw/zinc/13/50/95/821135095.db2.gz XMVNKZQQVSZBOJ-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)C3CC3)[C@H]2C1 ZINC001083068235 821135100 /nfs/dbraw/zinc/13/51/00/821135100.db2.gz XMVNKZQQVSZBOJ-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cncc(C)c3)[C@H]2C1 ZINC001083154151 821148521 /nfs/dbraw/zinc/14/85/21/821148521.db2.gz HMCQAVVURMCGSZ-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cncc(C)c3)[C@H]2C1 ZINC001083154151 821148530 /nfs/dbraw/zinc/14/85/30/821148530.db2.gz HMCQAVVURMCGSZ-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC001083169462 821153093 /nfs/dbraw/zinc/15/30/93/821153093.db2.gz TVPMQJDQBWAHDF-VYDRJRHOSA-N 1 2 274.364 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC001083169462 821153098 /nfs/dbraw/zinc/15/30/98/821153098.db2.gz TVPMQJDQBWAHDF-VYDRJRHOSA-N 1 2 274.364 0.577 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](O)C1 ZINC001083982400 821168359 /nfs/dbraw/zinc/16/83/59/821168359.db2.gz LHLCETZFNKFLDF-SFYZADRCSA-N 1 2 271.704 0.289 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](O)C1 ZINC001083982400 821168362 /nfs/dbraw/zinc/16/83/62/821168362.db2.gz LHLCETZFNKFLDF-SFYZADRCSA-N 1 2 271.704 0.289 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@@H](O)C1 ZINC001083974056 821175416 /nfs/dbraw/zinc/17/54/16/821175416.db2.gz GDZHSBKKPKZAMS-NEPJUHHUSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@@H](O)C1 ZINC001083974056 821175421 /nfs/dbraw/zinc/17/54/21/821175421.db2.gz GDZHSBKKPKZAMS-NEPJUHHUSA-N 1 2 293.754 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001084100303 821197701 /nfs/dbraw/zinc/19/77/01/821197701.db2.gz XOYQXPGXDCCBML-MCIONIFRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001084100303 821197706 /nfs/dbraw/zinc/19/77/06/821197706.db2.gz XOYQXPGXDCCBML-MCIONIFRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001084092657 821199090 /nfs/dbraw/zinc/19/90/90/821199090.db2.gz PDCGRMZFCQHBLO-CVEARBPZSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001084092657 821199092 /nfs/dbraw/zinc/19/90/92/821199092.db2.gz PDCGRMZFCQHBLO-CVEARBPZSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001084106095 821201944 /nfs/dbraw/zinc/20/19/44/821201944.db2.gz IOTNOCLCNJDMDL-OLZOCXBDSA-N 1 2 276.336 0.811 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001084106095 821201952 /nfs/dbraw/zinc/20/19/52/821201952.db2.gz IOTNOCLCNJDMDL-OLZOCXBDSA-N 1 2 276.336 0.811 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809314 821330792 /nfs/dbraw/zinc/33/07/92/821330792.db2.gz GGEZLHGOTKSKHQ-GHMZBOCLSA-N 1 2 290.791 0.451 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809314 821330800 /nfs/dbraw/zinc/33/08/00/821330800.db2.gz GGEZLHGOTKSKHQ-GHMZBOCLSA-N 1 2 290.791 0.451 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)CSCC#N)CC[NH2+]2)cn1 ZINC001119596079 821384184 /nfs/dbraw/zinc/38/41/84/821384184.db2.gz JLURRUOEOCOOMA-LLVKDONJSA-N 1 2 279.369 0.150 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230547686 821431332 /nfs/dbraw/zinc/43/13/32/821431332.db2.gz NOSSJJLVGGJFCZ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230547686 821431336 /nfs/dbraw/zinc/43/13/36/821431336.db2.gz NOSSJJLVGGJFCZ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712275803 821436460 /nfs/dbraw/zinc/43/64/60/821436460.db2.gz DAJSSTVOTIAPDN-GFCCVEGCSA-N 1 2 279.365 0.931 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712275803 821436464 /nfs/dbraw/zinc/43/64/64/821436464.db2.gz DAJSSTVOTIAPDN-GFCCVEGCSA-N 1 2 279.365 0.931 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065700177 821579057 /nfs/dbraw/zinc/57/90/57/821579057.db2.gz OVDOVJNJDPQXCR-OAHLLOKOSA-N 1 2 291.395 0.555 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001098306673 821664871 /nfs/dbraw/zinc/66/48/71/821664871.db2.gz KSCBYUHJIJGZHF-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C ZINC001085500192 821747039 /nfs/dbraw/zinc/74/70/39/821747039.db2.gz VNHOYIUOQSJEAQ-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C ZINC001085500192 821747041 /nfs/dbraw/zinc/74/70/41/821747041.db2.gz VNHOYIUOQSJEAQ-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000828716392 821813869 /nfs/dbraw/zinc/81/38/69/821813869.db2.gz MHCQMNBSOUQWOZ-JTQLQIEISA-N 1 2 263.297 0.208 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000828716392 821813876 /nfs/dbraw/zinc/81/38/76/821813876.db2.gz MHCQMNBSOUQWOZ-JTQLQIEISA-N 1 2 263.297 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2ncnn21 ZINC001085701950 821910123 /nfs/dbraw/zinc/91/01/23/821910123.db2.gz DLFWTMYFNUFYQW-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2ncnn21 ZINC001085701950 821910130 /nfs/dbraw/zinc/91/01/30/821910130.db2.gz DLFWTMYFNUFYQW-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085758489 821936741 /nfs/dbraw/zinc/93/67/41/821936741.db2.gz JUHRDXUCDCVUSQ-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085758489 821936748 /nfs/dbraw/zinc/93/67/48/821936748.db2.gz JUHRDXUCDCVUSQ-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812638 821963600 /nfs/dbraw/zinc/96/36/00/821963600.db2.gz IGUCRYOVMLUIJK-RYUDHWBXSA-N 1 2 287.367 0.886 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858618 821984199 /nfs/dbraw/zinc/98/41/99/821984199.db2.gz DWWUBTFPWBQYCZ-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858618 821984205 /nfs/dbraw/zinc/98/42/05/821984205.db2.gz DWWUBTFPWBQYCZ-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912229 822012020 /nfs/dbraw/zinc/01/20/20/822012020.db2.gz ZXNBBFLNLYALKT-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912229 822012027 /nfs/dbraw/zinc/01/20/27/822012027.db2.gz ZXNBBFLNLYALKT-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ccc(C)n2)C1 ZINC001108222863 822029664 /nfs/dbraw/zinc/02/96/64/822029664.db2.gz NYDLMFYLVHKTMU-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ccc(C)n2)C1 ZINC001108222863 822029670 /nfs/dbraw/zinc/02/96/70/822029670.db2.gz NYDLMFYLVHKTMU-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086123697 822120100 /nfs/dbraw/zinc/12/01/00/822120100.db2.gz PKSKFVMQZKMKFE-UPJWGTAASA-N 1 2 287.367 0.453 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086194961 822149923 /nfs/dbraw/zinc/14/99/23/822149923.db2.gz YCTCTKUWXSUVKL-GRYCIOLGSA-N 1 2 287.367 0.838 20 30 CCEDLO N#Cc1cnc(NC(=O)CCc2ccc(N)[nH+]c2)cn1 ZINC001183931712 844112998 /nfs/dbraw/zinc/11/29/98/844112998.db2.gz GEVDDEISPKIOPH-UHFFFAOYSA-N 1 2 268.280 0.897 20 30 CCEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001108431041 836080655 /nfs/dbraw/zinc/08/06/55/836080655.db2.gz RQSBNCBVCMXEDV-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc3c(C#N)c[nH]c3c2)C[NH2+]1 ZINC001169132329 836148581 /nfs/dbraw/zinc/14/85/81/836148581.db2.gz KRQHPABPUUKWCM-PWSUYJOCSA-N 1 2 285.307 0.750 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](F)C(C)C)CC2=O)C1 ZINC001108560770 836450593 /nfs/dbraw/zinc/45/05/93/836450593.db2.gz MWARBJYAZTVQNW-FZMZJTMJSA-N 1 2 297.374 0.568 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](F)CC)CC2=O)C1 ZINC001108563577 836453207 /nfs/dbraw/zinc/45/32/07/836453207.db2.gz PYFJFFFCOYXVBA-AAEUAGOBSA-N 1 2 297.374 0.712 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC)C2 ZINC001108892527 836570439 /nfs/dbraw/zinc/57/04/39/836570439.db2.gz ZNNCODHKRXUUJF-AGIUHOORSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC)C2 ZINC001108892527 836570441 /nfs/dbraw/zinc/57/04/41/836570441.db2.gz ZNNCODHKRXUUJF-AGIUHOORSA-N 1 2 295.383 0.047 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106905 836617480 /nfs/dbraw/zinc/61/74/80/836617480.db2.gz GQJXLSMPMMMFSR-UTLUCORTSA-N 1 2 271.748 0.336 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106905 836617485 /nfs/dbraw/zinc/61/74/85/836617485.db2.gz GQJXLSMPMMMFSR-UTLUCORTSA-N 1 2 271.748 0.336 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001112769599 836904089 /nfs/dbraw/zinc/90/40/89/836904089.db2.gz ODTWMEWGPYMHLV-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001112841621 836940108 /nfs/dbraw/zinc/94/01/08/836940108.db2.gz FUUAGDAECOKNGH-CYBMUJFWSA-N 1 2 250.342 0.745 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOCC2CC2)CC1 ZINC001112843969 836940376 /nfs/dbraw/zinc/94/03/76/836940376.db2.gz PKSACXVFVRYENT-UHFFFAOYSA-N 1 2 264.369 0.971 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001112920056 836967374 /nfs/dbraw/zinc/96/73/74/836967374.db2.gz XECJILAMVSCSGS-QWHCGFSZSA-N 1 2 279.384 0.479 20 30 CCEDLO C=C1CCC(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113303342 837081054 /nfs/dbraw/zinc/08/10/54/837081054.db2.gz ZHYPFYQKXWDMSR-UHFFFAOYSA-N 1 2 296.411 0.886 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1cnc(C#N)cn1 ZINC001113313186 837084960 /nfs/dbraw/zinc/08/49/60/837084960.db2.gz DUVCQIRKGUJLSD-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)NCCCOC)CC1 ZINC001113520149 837147247 /nfs/dbraw/zinc/14/72/47/837147247.db2.gz OFLNDSJSRSFPER-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)C(CC)CC)CC1 ZINC001113754581 837222706 /nfs/dbraw/zinc/22/27/06/837222706.db2.gz GRTROXRANXFDPA-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2CCC2)C[N@@H+]1CC(=O)NCC#N ZINC001131724739 838187639 /nfs/dbraw/zinc/18/76/39/838187639.db2.gz HDQPJLCCPQWASN-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2CCC2)C[N@H+]1CC(=O)NCC#N ZINC001131724739 838187642 /nfs/dbraw/zinc/18/76/42/838187642.db2.gz HDQPJLCCPQWASN-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131739133 838199880 /nfs/dbraw/zinc/19/98/80/838199880.db2.gz PPSMDWFKPFEJSC-NWDGAFQWSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131739133 838199886 /nfs/dbraw/zinc/19/98/86/838199886.db2.gz PPSMDWFKPFEJSC-NWDGAFQWSA-N 1 2 297.374 0.453 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)CC[C@H]1C ZINC001131748497 838202667 /nfs/dbraw/zinc/20/26/67/838202667.db2.gz VDNDYXDHURUVID-PWSUYJOCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)CC[C@H]1C ZINC001131748497 838202675 /nfs/dbraw/zinc/20/26/75/838202675.db2.gz VDNDYXDHURUVID-PWSUYJOCSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CCC[N@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131874699 838252357 /nfs/dbraw/zinc/25/23/57/838252357.db2.gz CGFUKTDMSCYYJE-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131874699 838252364 /nfs/dbraw/zinc/25/23/64/838252364.db2.gz CGFUKTDMSCYYJE-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018288 838301041 /nfs/dbraw/zinc/30/10/41/838301041.db2.gz WIFGXIIUYFUHCK-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018288 838301045 /nfs/dbraw/zinc/30/10/45/838301045.db2.gz WIFGXIIUYFUHCK-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CN1CC#N ZINC001132221505 838340988 /nfs/dbraw/zinc/34/09/88/838340988.db2.gz JGBXOWKXDWEXOJ-CHWSQXEVSA-N 1 2 275.356 0.766 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nc(C)no2)c1 ZINC001133589175 838673777 /nfs/dbraw/zinc/67/37/77/838673777.db2.gz DESZWHQWFOPRCN-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001185296159 844398701 /nfs/dbraw/zinc/39/87/01/844398701.db2.gz IRSNADXNFQWEPV-LLVKDONJSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488187 839187746 /nfs/dbraw/zinc/18/77/46/839187746.db2.gz KGNKBZCEURSYSH-UHFFFAOYSA-N 1 2 292.383 0.424 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001091103876 840049408 /nfs/dbraw/zinc/04/94/08/840049408.db2.gz LJJNEWFJUGICKY-CPCZMJQVSA-N 1 2 287.367 0.453 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(OC)c(F)c2)CC1 ZINC001144467634 840059479 /nfs/dbraw/zinc/05/94/79/840059479.db2.gz FAODPYCCGXKNBX-UHFFFAOYSA-N 1 2 263.316 0.980 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001146891160 840405826 /nfs/dbraw/zinc/40/58/26/840405826.db2.gz QIUDFQLNHXLZEM-QWHCGFSZSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001146891160 840405830 /nfs/dbraw/zinc/40/58/30/840405830.db2.gz QIUDFQLNHXLZEM-QWHCGFSZSA-N 1 2 298.383 0.721 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(O)cn2)CC1 ZINC001147291429 840551032 /nfs/dbraw/zinc/55/10/32/840551032.db2.gz VNNZYURGVAABRH-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(O)cn2)CC1 ZINC001147291429 840551041 /nfs/dbraw/zinc/55/10/41/840551041.db2.gz VNNZYURGVAABRH-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)cn1 ZINC001148389706 840791073 /nfs/dbraw/zinc/79/10/73/840791073.db2.gz RKNAMNJTRTYHTQ-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001093511327 841297463 /nfs/dbraw/zinc/29/74/63/841297463.db2.gz TVNSWPZJXACCEF-UHFFFAOYSA-N 1 2 290.367 0.901 20 30 CCEDLO Cc1cc(NCCNC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001093698979 841437875 /nfs/dbraw/zinc/43/78/75/841437875.db2.gz SHRJZSXGGBUETQ-UHFFFAOYSA-N 1 2 284.323 0.108 20 30 CCEDLO CCc1nc(C#N)cc(NCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001093702249 841442803 /nfs/dbraw/zinc/44/28/03/841442803.db2.gz SFUBBMBRFYPXPR-UHFFFAOYSA-N 1 2 299.338 0.335 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093892905 841488916 /nfs/dbraw/zinc/48/89/16/841488916.db2.gz ITJAWRWCOJJEBJ-JTQLQIEISA-N 1 2 262.313 0.351 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccco3)nn2)C1 ZINC001094269707 841575228 /nfs/dbraw/zinc/57/52/28/841575228.db2.gz WAGGTNKWFSLHRG-UHFFFAOYSA-N 1 2 287.323 0.844 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C)nn2)C1 ZINC001094270555 841577821 /nfs/dbraw/zinc/57/78/21/841577821.db2.gz BQUIHSADKIREKW-GWCFXTLKSA-N 1 2 275.356 0.593 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CC=CC3)CC2=O)C1 ZINC001094716990 841699118 /nfs/dbraw/zinc/69/91/18/841699118.db2.gz FTJCLWAOABQQBK-ZDUSSCGKSA-N 1 2 289.379 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc[nH]c3)CC2=O)C1 ZINC001094738347 841716696 /nfs/dbraw/zinc/71/66/96/841716696.db2.gz JNVGMFFIXJHBRX-LBPRGKRZSA-N 1 2 288.351 0.216 20 30 CCEDLO N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095068089 842019429 /nfs/dbraw/zinc/01/94/29/842019429.db2.gz VDACZCSJOSUVDH-XQQFMLRXSA-N 1 2 273.340 0.376 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173734363 842134435 /nfs/dbraw/zinc/13/44/35/842134435.db2.gz MZNZJVZEEORVRO-BBBLOLIVSA-N 1 2 285.373 0.218 20 30 CCEDLO C[C@H](CCCCNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001176829820 842415509 /nfs/dbraw/zinc/41/55/09/842415509.db2.gz QXFOFZKMITVYBB-GFCCVEGCSA-N 1 2 263.345 0.671 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876308 842435157 /nfs/dbraw/zinc/43/51/57/842435157.db2.gz MOHUKUBDIBTOQJ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876308 842435161 /nfs/dbraw/zinc/43/51/61/842435161.db2.gz MOHUKUBDIBTOQJ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176954562 842468163 /nfs/dbraw/zinc/46/81/63/842468163.db2.gz FLSCYJLPWDAVFG-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176954562 842468170 /nfs/dbraw/zinc/46/81/70/842468170.db2.gz FLSCYJLPWDAVFG-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177025493 842486933 /nfs/dbraw/zinc/48/69/33/842486933.db2.gz RGVIWDDQUURQRK-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177025493 842486938 /nfs/dbraw/zinc/48/69/38/842486938.db2.gz RGVIWDDQUURQRK-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177087702 842504175 /nfs/dbraw/zinc/50/41/75/842504175.db2.gz FUWGUMJCDNKFNW-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177087702 842504186 /nfs/dbraw/zinc/50/41/86/842504186.db2.gz FUWGUMJCDNKFNW-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO C#Cc1cnc(NC(=O)CN(C)c2cccc[nH+]2)c(C#C)n1 ZINC001177408677 842581993 /nfs/dbraw/zinc/58/19/93/842581993.db2.gz AVKIYZZIHJGFOZ-UHFFFAOYSA-N 1 2 291.314 0.909 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN(C)c2ccccn2)CC1 ZINC001177410215 842582404 /nfs/dbraw/zinc/58/24/04/842582404.db2.gz HKFWKVJYBLHTLL-UHFFFAOYSA-N 1 2 274.368 0.848 20 30 CCEDLO CN(CC(=O)NC1(C#N)CCOCC1)c1cccc[nH+]1 ZINC001177417902 842588008 /nfs/dbraw/zinc/58/80/08/842588008.db2.gz WDKKYYCXFGHRFT-UHFFFAOYSA-N 1 2 274.324 0.707 20 30 CCEDLO N#Cc1n[nH]cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101121 842756577 /nfs/dbraw/zinc/75/65/77/842756577.db2.gz PRGNLLXKHBJMKW-QMMMGPOBSA-N 1 2 256.269 0.679 20 30 CCEDLO N#CNC(=NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC001178118744 842762557 /nfs/dbraw/zinc/76/25/57/842762557.db2.gz FRVQRPCZKIDUHD-LBPRGKRZSA-N 1 2 294.318 0.885 20 30 CCEDLO NC(=O)c1cc(C[NH2+]CC#Cc2ccccc2)on1 ZINC001180697820 843266365 /nfs/dbraw/zinc/26/63/65/843266365.db2.gz JQHNEDUZMKKFCZ-UHFFFAOYSA-N 1 2 255.277 0.915 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182423225 843811068 /nfs/dbraw/zinc/81/10/68/843811068.db2.gz WURGOZRMFJYFTP-LLVKDONJSA-N 1 2 262.313 0.420 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110300924 843824785 /nfs/dbraw/zinc/82/47/85/843824785.db2.gz SMXXCUBXHPVZTJ-MXWKQRLJSA-N 1 2 271.361 0.934 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110300924 843824793 /nfs/dbraw/zinc/82/47/93/843824793.db2.gz SMXXCUBXHPVZTJ-MXWKQRLJSA-N 1 2 271.361 0.934 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001191724457 845717485 /nfs/dbraw/zinc/71/74/85/845717485.db2.gz GHXAKCYIIBFDNL-CHWSQXEVSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001191724457 845717490 /nfs/dbraw/zinc/71/74/90/845717490.db2.gz GHXAKCYIIBFDNL-CHWSQXEVSA-N 1 2 293.367 0.919 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001192721580 845904436 /nfs/dbraw/zinc/90/44/36/845904436.db2.gz AQXSHNRZXDJNFW-HUUCEWRRSA-N 1 2 287.363 0.402 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001192721580 845904439 /nfs/dbraw/zinc/90/44/39/845904439.db2.gz AQXSHNRZXDJNFW-HUUCEWRRSA-N 1 2 287.363 0.402 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001193094873 845993136 /nfs/dbraw/zinc/99/31/36/845993136.db2.gz NIQKMFMIIUINOG-SECBINFHSA-N 1 2 271.346 0.098 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCCOc1cc[nH+]cc1 ZINC001193192908 846013705 /nfs/dbraw/zinc/01/37/05/846013705.db2.gz HEBGQEUKEINVMS-SECBINFHSA-N 1 2 255.299 0.292 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001193400012 846071607 /nfs/dbraw/zinc/07/16/07/846071607.db2.gz GHDJFXUFEHQVIK-ZIAGYGMSSA-N 1 2 280.368 0.154 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001193400012 846071613 /nfs/dbraw/zinc/07/16/13/846071613.db2.gz GHDJFXUFEHQVIK-ZIAGYGMSSA-N 1 2 280.368 0.154 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C#N)c2)C1 ZINC001194113995 846216213 /nfs/dbraw/zinc/21/62/13/846216213.db2.gz UPCHBXYETNGGIJ-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C#N)c2)C1 ZINC001194113995 846216222 /nfs/dbraw/zinc/21/62/22/846216222.db2.gz UPCHBXYETNGGIJ-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321145 846493229 /nfs/dbraw/zinc/49/32/29/846493229.db2.gz DRXCUTUXLJQJPM-QWHCGFSZSA-N 1 2 292.383 0.371 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321145 846493233 /nfs/dbraw/zinc/49/32/33/846493233.db2.gz DRXCUTUXLJQJPM-QWHCGFSZSA-N 1 2 292.383 0.371 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001273695618 846496413 /nfs/dbraw/zinc/49/64/13/846496413.db2.gz GNJFAFOKHIXABO-UONOGXRCSA-N 1 2 294.395 0.640 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001195313704 846503461 /nfs/dbraw/zinc/50/34/61/846503461.db2.gz AWOCSEODYMCTIY-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001195313704 846503465 /nfs/dbraw/zinc/50/34/65/846503465.db2.gz AWOCSEODYMCTIY-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC001195472416 846545588 /nfs/dbraw/zinc/54/55/88/846545588.db2.gz GDNSVSZJIVBWSQ-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC001195472416 846545596 /nfs/dbraw/zinc/54/55/96/846545596.db2.gz GDNSVSZJIVBWSQ-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CCC1 ZINC001196107050 846686222 /nfs/dbraw/zinc/68/62/22/846686222.db2.gz GHZHHXJKGJBOTM-CYBMUJFWSA-N 1 2 291.395 0.588 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)CCC1 ZINC001196107050 846686228 /nfs/dbraw/zinc/68/62/28/846686228.db2.gz GHZHHXJKGJBOTM-CYBMUJFWSA-N 1 2 291.395 0.588 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001273713495 846687690 /nfs/dbraw/zinc/68/76/90/846687690.db2.gz RSGJKLATZIOZRU-NWDGAFQWSA-N 1 2 282.384 0.539 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197253016 846887962 /nfs/dbraw/zinc/88/79/62/846887962.db2.gz CQQINBKWRSYGCM-ZDUSSCGKSA-N 1 2 289.379 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197253016 846887969 /nfs/dbraw/zinc/88/79/69/846887969.db2.gz CQQINBKWRSYGCM-ZDUSSCGKSA-N 1 2 289.379 0.070 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001197266939 846890073 /nfs/dbraw/zinc/89/00/73/846890073.db2.gz PYTCFQAWKNTFPC-JHJVBQTASA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001197266939 846890077 /nfs/dbraw/zinc/89/00/77/846890077.db2.gz PYTCFQAWKNTFPC-JHJVBQTASA-N 1 2 252.358 0.607 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2nocc2C)CC1 ZINC001197699404 846949105 /nfs/dbraw/zinc/94/91/05/846949105.db2.gz SGRUAKPUYTWCNL-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2nocc2C)CC1 ZINC001197699404 846949119 /nfs/dbraw/zinc/94/91/19/846949119.db2.gz SGRUAKPUYTWCNL-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110532111 847318336 /nfs/dbraw/zinc/31/83/36/847318336.db2.gz ZFJUCUVZHREKMH-LOWDOPEQSA-N 1 2 291.395 0.631 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110532111 847318350 /nfs/dbraw/zinc/31/83/50/847318350.db2.gz ZFJUCUVZHREKMH-LOWDOPEQSA-N 1 2 291.395 0.631 20 30 CCEDLO N#Cc1cnc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC001199669758 847393510 /nfs/dbraw/zinc/39/35/10/847393510.db2.gz TZRAJYJVNBOWOL-LLVKDONJSA-N 1 2 294.318 0.752 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NC[C@H]2CCCO2)CC1 ZINC001200016922 847505708 /nfs/dbraw/zinc/50/57/08/847505708.db2.gz NTOTYZDCOORMKB-GFCCVEGCSA-N 1 2 269.414 0.844 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC1CCCC1)C(=O)CO2 ZINC001273884729 847734813 /nfs/dbraw/zinc/73/48/13/847734813.db2.gz KJBWUWRTIXARHV-CQSZACIVSA-N 1 2 294.395 0.637 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@@H](C1)O2 ZINC001274192796 848369950 /nfs/dbraw/zinc/36/99/50/848369950.db2.gz LFRBQUUAAVVHMF-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@@H](C1)O2 ZINC001274192796 848369961 /nfs/dbraw/zinc/36/99/61/848369961.db2.gz LFRBQUUAAVVHMF-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372519 848463485 /nfs/dbraw/zinc/46/34/85/848463485.db2.gz OFRPURITDTVXBW-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372519 848463493 /nfs/dbraw/zinc/46/34/93/848463493.db2.gz OFRPURITDTVXBW-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C#N)n3)C[C@@H](C1)O2 ZINC001274397411 848468137 /nfs/dbraw/zinc/46/81/37/848468137.db2.gz LSQAYBTYCJKACB-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C#N)n3)C[C@@H](C1)O2 ZINC001274397411 848468141 /nfs/dbraw/zinc/46/81/41/848468141.db2.gz LSQAYBTYCJKACB-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001275817933 848835365 /nfs/dbraw/zinc/83/53/65/848835365.db2.gz FXBUGBXLNSGXCM-LBPRGKRZSA-N 1 2 277.372 0.411 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001275817933 848835369 /nfs/dbraw/zinc/83/53/69/848835369.db2.gz FXBUGBXLNSGXCM-LBPRGKRZSA-N 1 2 277.372 0.411 20 30 CCEDLO CC(C)=CC[NH+]1CC(CCO)(NC(=O)C#CC2CC2)C1 ZINC001276050507 848909835 /nfs/dbraw/zinc/90/98/35/848909835.db2.gz FALSBLZDTVXTDW-UHFFFAOYSA-N 1 2 276.380 0.919 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001095582628 848992572 /nfs/dbraw/zinc/99/25/72/848992572.db2.gz AVIKUJMRCPJKEN-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110925237 849028856 /nfs/dbraw/zinc/02/88/56/849028856.db2.gz PUSVOLBKEQROCI-UPJWGTAASA-N 1 2 277.368 0.387 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110925237 849028866 /nfs/dbraw/zinc/02/88/66/849028866.db2.gz PUSVOLBKEQROCI-UPJWGTAASA-N 1 2 277.368 0.387 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CC2)C1=O ZINC001037987664 849622846 /nfs/dbraw/zinc/62/28/46/849622846.db2.gz WMOGIVXSNJQTON-OLZOCXBDSA-N 1 2 277.368 0.374 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2CC2)C1=O ZINC001037987664 849622852 /nfs/dbraw/zinc/62/28/52/849622852.db2.gz WMOGIVXSNJQTON-OLZOCXBDSA-N 1 2 277.368 0.374 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038631565 849740648 /nfs/dbraw/zinc/74/06/48/849740648.db2.gz LCNDLVVBOLIIFF-AAEUAGOBSA-N 1 2 288.351 0.699 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038631565 849740654 /nfs/dbraw/zinc/74/06/54/849740654.db2.gz LCNDLVVBOLIIFF-AAEUAGOBSA-N 1 2 288.351 0.699 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccn1CC ZINC001038216420 849819836 /nfs/dbraw/zinc/81/98/36/849819836.db2.gz KUBAMLBRVFGRSI-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccn1CC ZINC001038216420 849819844 /nfs/dbraw/zinc/81/98/44/849819844.db2.gz KUBAMLBRVFGRSI-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038317276 849848783 /nfs/dbraw/zinc/84/87/83/849848783.db2.gz BNGLKJNPCVREGD-GFCCVEGCSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038317276 849848787 /nfs/dbraw/zinc/84/87/87/849848787.db2.gz BNGLKJNPCVREGD-GFCCVEGCSA-N 1 2 258.325 0.267 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001038380388 849871862 /nfs/dbraw/zinc/87/18/62/849871862.db2.gz MUCJKNXXFJOWKB-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001038380388 849871871 /nfs/dbraw/zinc/87/18/71/849871871.db2.gz MUCJKNXXFJOWKB-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038396168 849878714 /nfs/dbraw/zinc/87/87/14/849878714.db2.gz YEWNEBOEQXUMMV-LBPRGKRZSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038396168 849878730 /nfs/dbraw/zinc/87/87/30/849878730.db2.gz YEWNEBOEQXUMMV-LBPRGKRZSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001038401046 849879877 /nfs/dbraw/zinc/87/98/77/849879877.db2.gz NWBJUXUBCNLMRA-AWEZNQCLSA-N 1 2 299.374 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001038401046 849879890 /nfs/dbraw/zinc/87/98/90/849879890.db2.gz NWBJUXUBCNLMRA-AWEZNQCLSA-N 1 2 299.374 0.953 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001038397320 849880164 /nfs/dbraw/zinc/88/01/64/849880164.db2.gz YNAIPXNXUCMWNR-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001038397320 849880168 /nfs/dbraw/zinc/88/01/68/849880168.db2.gz YNAIPXNXUCMWNR-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038449458 849902410 /nfs/dbraw/zinc/90/24/10/849902410.db2.gz FKBPGWLNJIEOPL-NSHDSACASA-N 1 2 298.346 0.404 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038449458 849902416 /nfs/dbraw/zinc/90/24/16/849902416.db2.gz FKBPGWLNJIEOPL-NSHDSACASA-N 1 2 298.346 0.404 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465203 849913203 /nfs/dbraw/zinc/91/32/03/849913203.db2.gz JKADNSWAYAMYCR-JTQLQIEISA-N 1 2 269.308 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465203 849913206 /nfs/dbraw/zinc/91/32/06/849913206.db2.gz JKADNSWAYAMYCR-JTQLQIEISA-N 1 2 269.308 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038579155 849949624 /nfs/dbraw/zinc/94/96/24/849949624.db2.gz ARGWACBQMQLIDG-LBPRGKRZSA-N 1 2 284.319 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038579155 849949627 /nfs/dbraw/zinc/94/96/27/849949627.db2.gz ARGWACBQMQLIDG-LBPRGKRZSA-N 1 2 284.319 0.969 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038637163 849969225 /nfs/dbraw/zinc/96/92/25/849969225.db2.gz FNOUDAYAXUFIQQ-SNVBAGLBSA-N 1 2 299.334 0.491 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038637163 849969231 /nfs/dbraw/zinc/96/92/31/849969231.db2.gz FNOUDAYAXUFIQQ-SNVBAGLBSA-N 1 2 299.334 0.491 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001038699935 849986685 /nfs/dbraw/zinc/98/66/85/849986685.db2.gz OZFPYMLHOHUEON-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001038699935 849986696 /nfs/dbraw/zinc/98/66/96/849986696.db2.gz OZFPYMLHOHUEON-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756435 850007011 /nfs/dbraw/zinc/00/70/11/850007011.db2.gz DHRFYSIOUKTXDB-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756435 850007019 /nfs/dbraw/zinc/00/70/19/850007019.db2.gz DHRFYSIOUKTXDB-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001038770775 850010214 /nfs/dbraw/zinc/01/02/14/850010214.db2.gz WAFSCHGHHUJRKG-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001038770775 850010224 /nfs/dbraw/zinc/01/02/24/850010224.db2.gz WAFSCHGHHUJRKG-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001038803719 850020811 /nfs/dbraw/zinc/02/08/11/850020811.db2.gz DGKWEXQPMCJVQD-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001038803719 850020815 /nfs/dbraw/zinc/02/08/15/850020815.db2.gz DGKWEXQPMCJVQD-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038822735 850028031 /nfs/dbraw/zinc/02/80/31/850028031.db2.gz LJNFHJONZVOJIV-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038822735 850028036 /nfs/dbraw/zinc/02/80/36/850028036.db2.gz LJNFHJONZVOJIV-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038865223 850057909 /nfs/dbraw/zinc/05/79/09/850057909.db2.gz VAYLRIYDMIWTQO-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038865223 850057913 /nfs/dbraw/zinc/05/79/13/850057913.db2.gz VAYLRIYDMIWTQO-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001039042717 850135384 /nfs/dbraw/zinc/13/53/84/850135384.db2.gz LWBZPXPWFQGPBH-LLVKDONJSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001039042717 850135387 /nfs/dbraw/zinc/13/53/87/850135387.db2.gz LWBZPXPWFQGPBH-LLVKDONJSA-N 1 2 286.335 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039079022 850147659 /nfs/dbraw/zinc/14/76/59/850147659.db2.gz WKALVDIHVTWTDN-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039079022 850147666 /nfs/dbraw/zinc/14/76/66/850147666.db2.gz WKALVDIHVTWTDN-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042373107 850621232 /nfs/dbraw/zinc/62/12/32/850621232.db2.gz DLIRTXSCMHKFSF-QWHCGFSZSA-N 1 2 273.340 0.329 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001042721715 850744589 /nfs/dbraw/zinc/74/45/89/850744589.db2.gz PHHMDNSXUFKRRB-UHFFFAOYSA-N 1 2 289.383 0.875 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3ccnn32)C1 ZINC001042902423 850777722 /nfs/dbraw/zinc/77/77/22/850777722.db2.gz NTMPMSMIILXMLT-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2CCOC)C1 ZINC001043024038 850799361 /nfs/dbraw/zinc/79/93/61/850799361.db2.gz XHAMOXBVIKKLMX-UHFFFAOYSA-N 1 2 292.383 0.862 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001043139349 850820643 /nfs/dbraw/zinc/82/06/43/850820643.db2.gz FUJNOBYHZIZZHO-GFCCVEGCSA-N 1 2 286.379 0.599 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001043139349 850820647 /nfs/dbraw/zinc/82/06/47/850820647.db2.gz FUJNOBYHZIZZHO-GFCCVEGCSA-N 1 2 286.379 0.599 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCN2CC)C1 ZINC001043176128 850825966 /nfs/dbraw/zinc/82/59/66/850825966.db2.gz ZEBUTFBEPSWNFE-AWEZNQCLSA-N 1 2 281.400 0.426 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCCO3)C1 ZINC001043313103 850853177 /nfs/dbraw/zinc/85/31/77/850853177.db2.gz VXVDPZBBZGBFEZ-UHFFFAOYSA-N 1 2 288.351 0.445 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCOC)C2)c1 ZINC001043822848 850941924 /nfs/dbraw/zinc/94/19/24/850941924.db2.gz ZVOAARIIFPLVBA-UHFFFAOYSA-N 1 2 273.336 0.466 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001043864059 850952007 /nfs/dbraw/zinc/95/20/07/850952007.db2.gz IAWIYUUVCDFOMH-UHFFFAOYSA-N 1 2 289.383 0.813 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001043889099 850959950 /nfs/dbraw/zinc/95/99/50/850959950.db2.gz NIVCAUAIFVCWJD-NEPJUHHUSA-N 1 2 279.384 0.607 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C#C)nc2)C1 ZINC001044205988 851042600 /nfs/dbraw/zinc/04/26/00/851042600.db2.gz RGIUBGLLDIHTHH-UHFFFAOYSA-N 1 2 267.332 0.842 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2C(N)=O)C1 ZINC001044325279 851077851 /nfs/dbraw/zinc/07/78/51/851077851.db2.gz GNWHGXFDDNFODL-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876686 851172707 /nfs/dbraw/zinc/17/27/07/851172707.db2.gz BQVOCJWQXZOZLH-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CC3)CC2)C1 ZINC001045990035 851338333 /nfs/dbraw/zinc/33/83/33/851338333.db2.gz FUWDKWITYXLAMG-CYBMUJFWSA-N 1 2 262.357 0.138 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001046014356 851351770 /nfs/dbraw/zinc/35/17/70/851351770.db2.gz WDMVBFBAIWFXCU-HNNXBMFYSA-N 1 2 290.411 0.919 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046053266 851359524 /nfs/dbraw/zinc/35/95/24/851359524.db2.gz WWILNVVTURUNCK-UONOGXRCSA-N 1 2 296.390 0.723 20 30 CCEDLO CCC(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047266526 851683774 /nfs/dbraw/zinc/68/37/74/851683774.db2.gz AJRYQYBLJGTBCI-HOTGVXAUSA-N 1 2 286.375 0.952 20 30 CCEDLO CCC(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047266526 851683779 /nfs/dbraw/zinc/68/37/79/851683779.db2.gz AJRYQYBLJGTBCI-HOTGVXAUSA-N 1 2 286.375 0.952 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001047351304 851732201 /nfs/dbraw/zinc/73/22/01/851732201.db2.gz NHIPZOHVVBLUFM-STQMWFEESA-N 1 2 280.343 0.921 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001047351304 851732205 /nfs/dbraw/zinc/73/22/05/851732205.db2.gz NHIPZOHVVBLUFM-STQMWFEESA-N 1 2 280.343 0.921 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001047371123 851742250 /nfs/dbraw/zinc/74/22/50/851742250.db2.gz YCQBASXCHDAVDR-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001047371123 851742251 /nfs/dbraw/zinc/74/22/51/851742251.db2.gz YCQBASXCHDAVDR-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001047466515 851773323 /nfs/dbraw/zinc/77/33/23/851773323.db2.gz QNLAIHZHAVWJKY-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001047466515 851773329 /nfs/dbraw/zinc/77/33/29/851773329.db2.gz QNLAIHZHAVWJKY-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO CCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096259868 851870904 /nfs/dbraw/zinc/87/09/04/851870904.db2.gz NVQLMIOXAXGGNI-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001096276741 851885287 /nfs/dbraw/zinc/88/52/87/851885287.db2.gz FOQQEVWGWMGNRC-XBFCOCLRSA-N 1 2 285.347 0.652 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001096276741 851885293 /nfs/dbraw/zinc/88/52/93/851885293.db2.gz FOQQEVWGWMGNRC-XBFCOCLRSA-N 1 2 285.347 0.652 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001048901167 852103216 /nfs/dbraw/zinc/10/32/16/852103216.db2.gz WKJVLNYNLMSFGA-MCIONIFRSA-N 1 2 299.378 0.359 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049516573 852300039 /nfs/dbraw/zinc/30/00/39/852300039.db2.gz DFIOFYZAUATLQC-UONOGXRCSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049516573 852300050 /nfs/dbraw/zinc/30/00/50/852300050.db2.gz DFIOFYZAUATLQC-UONOGXRCSA-N 1 2 287.367 0.931 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053187440 852705476 /nfs/dbraw/zinc/70/54/76/852705476.db2.gz LLQCQZXUIXQSCB-LLVKDONJSA-N 1 2 251.330 0.468 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)CCO2 ZINC001053237460 852715581 /nfs/dbraw/zinc/71/55/81/852715581.db2.gz IESMRBPZASMISG-UHFFFAOYSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnsn1)O2 ZINC001053575271 852762272 /nfs/dbraw/zinc/76/22/72/852762272.db2.gz TXYLYPGYRIHIGF-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(F)F)CO2 ZINC001053717669 852787949 /nfs/dbraw/zinc/78/79/49/852787949.db2.gz RRMAPLDBTGQWCG-SNVBAGLBSA-N 1 2 272.295 0.624 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1=COCCO1)CO2 ZINC001053724421 852789470 /nfs/dbraw/zinc/78/94/70/852789470.db2.gz JKDJYWJKDLSQOH-LBPRGKRZSA-N 1 2 294.351 0.410 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)no1)CO2 ZINC001053733546 852794938 /nfs/dbraw/zinc/79/49/38/852794938.db2.gz YKHYQZOOEILTAM-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncoc1C)CO2 ZINC001053753571 852804583 /nfs/dbraw/zinc/80/45/83/852804583.db2.gz UGUUOUQRPXOQOL-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnc[nH]1)CO2 ZINC001053959657 852854150 /nfs/dbraw/zinc/85/41/50/852854150.db2.gz DIHLJTODCQFFMM-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncn[nH]1)CO2 ZINC001053959657 852854152 /nfs/dbraw/zinc/85/41/52/852854152.db2.gz DIHLJTODCQFFMM-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc[nH]n1)CO2 ZINC001053959657 852854156 /nfs/dbraw/zinc/85/41/56/852854156.db2.gz DIHLJTODCQFFMM-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCOC1)CO2 ZINC001053967275 852859067 /nfs/dbraw/zinc/85/90/67/852859067.db2.gz UXNXHHZWUMHPLL-ZFWWWQNUSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnon3)cc2C1 ZINC001054286513 852901047 /nfs/dbraw/zinc/90/10/47/852901047.db2.gz IUFRCOJTQFFEED-UHFFFAOYSA-N 1 2 282.303 0.948 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnon3)cc2C1 ZINC001054286513 852901052 /nfs/dbraw/zinc/90/10/52/852901052.db2.gz IUFRCOJTQFFEED-UHFFFAOYSA-N 1 2 282.303 0.948 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054976546 853047158 /nfs/dbraw/zinc/04/71/58/853047158.db2.gz NEZGFOOIPBRFAA-MNOVXSKESA-N 1 2 292.387 0.359 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001050170632 853329868 /nfs/dbraw/zinc/32/98/68/853329868.db2.gz BBWYZOHCMJFSFG-NWDGAFQWSA-N 1 2 273.340 0.399 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnccn1 ZINC001050803086 853439365 /nfs/dbraw/zinc/43/93/65/853439365.db2.gz UOYSRSWXZSBBGI-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnccn1 ZINC001050803086 853439369 /nfs/dbraw/zinc/43/93/69/853439369.db2.gz UOYSRSWXZSBBGI-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001050829821 853450582 /nfs/dbraw/zinc/45/05/82/853450582.db2.gz DULCPPSSLDABEV-GFCCVEGCSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001050829821 853450584 /nfs/dbraw/zinc/45/05/84/853450584.db2.gz DULCPPSSLDABEV-GFCCVEGCSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001050837080 853453537 /nfs/dbraw/zinc/45/35/37/853453537.db2.gz WMSLIBTYJFDCJX-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001050837080 853453540 /nfs/dbraw/zinc/45/35/40/853453540.db2.gz WMSLIBTYJFDCJX-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001050898160 853480647 /nfs/dbraw/zinc/48/06/47/853480647.db2.gz OZMKYIIRHZGHSF-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001050898160 853480658 /nfs/dbraw/zinc/48/06/58/853480658.db2.gz OZMKYIIRHZGHSF-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001051213206 853547170 /nfs/dbraw/zinc/54/71/70/853547170.db2.gz VYSIHMQTLKGRGD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001051213206 853547178 /nfs/dbraw/zinc/54/71/78/853547178.db2.gz VYSIHMQTLKGRGD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025583 853676891 /nfs/dbraw/zinc/67/68/91/853676891.db2.gz HHIUAVLQLGDDHT-MRXNPFEDSA-N 1 2 285.391 0.252 20 30 CCEDLO N#Cc1cnccc1N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058422349 853842177 /nfs/dbraw/zinc/84/21/77/853842177.db2.gz CAFKXMDVRIKLTB-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071501093 854222176 /nfs/dbraw/zinc/22/21/76/854222176.db2.gz IFLDYIDFMFGFSN-WCQYABFASA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071501093 854222183 /nfs/dbraw/zinc/22/21/83/854222183.db2.gz IFLDYIDFMFGFSN-WCQYABFASA-N 1 2 289.383 0.648 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001071778328 854287228 /nfs/dbraw/zinc/28/72/28/854287228.db2.gz SHDWPBSVJQMBIP-OLZOCXBDSA-N 1 2 290.367 0.812 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001073124438 854534229 /nfs/dbraw/zinc/53/42/29/854534229.db2.gz MXQJRTXIAYOWPO-LBPRGKRZSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001073124438 854534234 /nfs/dbraw/zinc/53/42/34/854534234.db2.gz MXQJRTXIAYOWPO-LBPRGKRZSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001073124438 854534238 /nfs/dbraw/zinc/53/42/38/854534238.db2.gz MXQJRTXIAYOWPO-LBPRGKRZSA-N 1 2 299.378 0.077 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001073124438 854534243 /nfs/dbraw/zinc/53/42/43/854534243.db2.gz MXQJRTXIAYOWPO-LBPRGKRZSA-N 1 2 299.378 0.077 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098337957 854858925 /nfs/dbraw/zinc/85/89/25/854858925.db2.gz DLNSJPWNBLQVDY-UTUOFQBUSA-N 1 2 295.774 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncn1)C2 ZINC001098337957 854858927 /nfs/dbraw/zinc/85/89/27/854858927.db2.gz DLNSJPWNBLQVDY-UTUOFQBUSA-N 1 2 295.774 0.752 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001099714081 854975176 /nfs/dbraw/zinc/97/51/76/854975176.db2.gz YXPJAVHUINUYHH-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001100042492 855080256 /nfs/dbraw/zinc/08/02/56/855080256.db2.gz BNIZVTFZYAZYOV-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001100556179 855186959 /nfs/dbraw/zinc/18/69/59/855186959.db2.gz GPPJDDVCQMYHHC-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567211 855317723 /nfs/dbraw/zinc/31/77/23/855317723.db2.gz BBPXCPBDVKYWIO-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101586381 855321355 /nfs/dbraw/zinc/32/13/55/855321355.db2.gz XVVPLXZMHTXEDW-AWEZNQCLSA-N 1 2 278.356 0.982 20 30 CCEDLO CN(CCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]cn1C ZINC001101695228 855346268 /nfs/dbraw/zinc/34/62/68/855346268.db2.gz UVLAEFVMCWLQDJ-UHFFFAOYSA-N 1 2 298.350 0.800 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccc(C#N)nn1 ZINC001101718026 855350323 /nfs/dbraw/zinc/35/03/23/855350323.db2.gz ILYOXAVRFBVHEX-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)CCn1cc[nH+]c1 ZINC001101889187 855386737 /nfs/dbraw/zinc/38/67/37/855386737.db2.gz NKMDRJSTWGDAKL-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001103118301 855498130 /nfs/dbraw/zinc/49/81/30/855498130.db2.gz VRNCGTHDAIQJFI-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001103161984 855501179 /nfs/dbraw/zinc/50/11/79/855501179.db2.gz OMWGMJZCFITCMK-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001103162456 855501729 /nfs/dbraw/zinc/50/17/29/855501729.db2.gz YUTAIMSVRIWMFS-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089845 855567735 /nfs/dbraw/zinc/56/77/35/855567735.db2.gz QSGZWLDJUCZKSF-NEPJUHHUSA-N 1 2 290.367 0.988 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115338127 855662686 /nfs/dbraw/zinc/66/26/86/855662686.db2.gz DZHTWOADJSQUJL-IMRBUKKESA-N 1 2 273.340 0.233 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001117786170 856078745 /nfs/dbraw/zinc/07/87/45/856078745.db2.gz JMHXXPKLHGFHAL-MNOVXSKESA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC001119327544 856634311 /nfs/dbraw/zinc/63/43/11/856634311.db2.gz LNTBHDXKNAOMKA-SNVBAGLBSA-N 1 2 270.358 0.131 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001119978363 856946302 /nfs/dbraw/zinc/94/63/02/856946302.db2.gz GSHVTWSBQAKWTR-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001323287848 912243486 /nfs/dbraw/zinc/24/34/86/912243486.db2.gz UZNLZNNQMDPOCB-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001323287848 912243499 /nfs/dbraw/zinc/24/34/99/912243499.db2.gz UZNLZNNQMDPOCB-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO C=CCCC[NH+]1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001323958124 912602926 /nfs/dbraw/zinc/60/29/26/912602926.db2.gz OJQYMXHSVNBXRM-UHFFFAOYSA-N 1 2 263.345 0.836 20 30 CCEDLO Cc1noc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCC2)n1 ZINC001393534269 912632062 /nfs/dbraw/zinc/63/20/62/912632062.db2.gz NEFDFTIMIHKHMS-VIFPVBQESA-N 1 2 277.328 0.666 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC001393597602 912670466 /nfs/dbraw/zinc/67/04/66/912670466.db2.gz HGVHISYELVVMET-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC001393597602 912670481 /nfs/dbraw/zinc/67/04/81/912670481.db2.gz HGVHISYELVVMET-NWDGAFQWSA-N 1 2 290.371 0.445 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(F)=C2CCCC2)C1 ZINC001325201061 913274064 /nfs/dbraw/zinc/27/40/64/913274064.db2.gz LZBXEQYEDVWBBS-UHFFFAOYSA-N 1 2 280.343 0.970 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001325266086 913306894 /nfs/dbraw/zinc/30/68/94/913306894.db2.gz YFPDXAJDAASBHL-QWHCGFSZSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001266331421 891452789 /nfs/dbraw/zinc/45/27/89/891452789.db2.gz QBFVQLUFQQMBOT-LLVKDONJSA-N 1 2 294.330 0.260 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001266331421 891452792 /nfs/dbraw/zinc/45/27/92/891452792.db2.gz QBFVQLUFQQMBOT-LLVKDONJSA-N 1 2 294.330 0.260 20 30 CCEDLO N#CCNCC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167334861 891546655 /nfs/dbraw/zinc/54/66/55/891546655.db2.gz YJKWHZXUCALNCL-UHFFFAOYSA-N 1 2 261.329 0.352 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001480910040 891750453 /nfs/dbraw/zinc/75/04/53/891750453.db2.gz YHWBKKJRVWDKQS-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001480910040 891750461 /nfs/dbraw/zinc/75/04/61/891750461.db2.gz YHWBKKJRVWDKQS-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO CC(C)[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481060825 892118867 /nfs/dbraw/zinc/11/88/67/892118867.db2.gz YEHWIJYBJLWVRQ-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481060825 892118869 /nfs/dbraw/zinc/11/88/69/892118869.db2.gz YEHWIJYBJLWVRQ-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001481379987 892603413 /nfs/dbraw/zinc/60/34/13/892603413.db2.gz BJPSCXZRKIVYTQ-BETUJISGSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001481379987 892603414 /nfs/dbraw/zinc/60/34/14/892603414.db2.gz BJPSCXZRKIVYTQ-BETUJISGSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)COC(C)C)C1 ZINC001481532212 892777859 /nfs/dbraw/zinc/77/78/59/892777859.db2.gz MSVWNWXBEGNVQX-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COC(C)C)C1 ZINC001481532212 892777867 /nfs/dbraw/zinc/77/78/67/892777867.db2.gz MSVWNWXBEGNVQX-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOCC=C)C2)cn1 ZINC001481595187 892882479 /nfs/dbraw/zinc/88/24/79/892882479.db2.gz JAYXQRZMNNJEJQ-UHFFFAOYSA-N 1 2 285.347 0.680 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001481667320 892985305 /nfs/dbraw/zinc/98/53/05/892985305.db2.gz BOFHIABPZWVSGQ-DCAQKATOSA-N 1 2 251.330 0.112 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001481667320 892985316 /nfs/dbraw/zinc/98/53/16/892985316.db2.gz BOFHIABPZWVSGQ-DCAQKATOSA-N 1 2 251.330 0.112 20 30 CCEDLO C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001481668755 892987062 /nfs/dbraw/zinc/98/70/62/892987062.db2.gz PBPYNCQKIRNXSH-GAVOFTNISA-N 1 2 262.353 0.888 20 30 CCEDLO C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001481668755 892987070 /nfs/dbraw/zinc/98/70/70/892987070.db2.gz PBPYNCQKIRNXSH-GAVOFTNISA-N 1 2 262.353 0.888 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001481694413 893013291 /nfs/dbraw/zinc/01/32/91/893013291.db2.gz RHHPDCWGDKWOQH-LBPRGKRZSA-N 1 2 292.335 0.742 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001481694413 893013311 /nfs/dbraw/zinc/01/33/11/893013311.db2.gz RHHPDCWGDKWOQH-LBPRGKRZSA-N 1 2 292.335 0.742 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001481697668 893024364 /nfs/dbraw/zinc/02/43/64/893024364.db2.gz WEIJXTSVTSIUQE-OAHLLOKOSA-N 1 2 299.374 0.549 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001481697668 893024379 /nfs/dbraw/zinc/02/43/79/893024379.db2.gz WEIJXTSVTSIUQE-OAHLLOKOSA-N 1 2 299.374 0.549 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCCC(=O)NC)C1 ZINC001482185919 893478078 /nfs/dbraw/zinc/47/80/78/893478078.db2.gz DIWBSOQWRHAUJC-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCCC(=O)NC)C1 ZINC001482185919 893478081 /nfs/dbraw/zinc/47/80/81/893478081.db2.gz DIWBSOQWRHAUJC-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NCC1CCC1 ZINC001496680592 893478309 /nfs/dbraw/zinc/47/83/09/893478309.db2.gz VICYFPKAPNROPF-GFCCVEGCSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC1CCC1 ZINC001496680592 893478311 /nfs/dbraw/zinc/47/83/11/893478311.db2.gz VICYFPKAPNROPF-GFCCVEGCSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H]1CN(C(=O)c2csc(C#N)c2)CC[N@@H+]1CCO ZINC001362378838 893561140 /nfs/dbraw/zinc/56/11/40/893561140.db2.gz RYVSEKRCUFAFMT-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2csc(C#N)c2)CC[N@H+]1CCO ZINC001362378838 893561155 /nfs/dbraw/zinc/56/11/55/893561155.db2.gz RYVSEKRCUFAFMT-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269787380 893644259 /nfs/dbraw/zinc/64/42/59/893644259.db2.gz JSDOYTKTQCBCMS-CYBMUJFWSA-N 1 2 282.384 0.186 20 30 CCEDLO C=CCCC(=O)N[C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285086407 893812325 /nfs/dbraw/zinc/81/23/25/893812325.db2.gz CKSDXHYPMAJMAI-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001482479509 894099643 /nfs/dbraw/zinc/09/96/43/894099643.db2.gz KIDLUJIFWNJTLX-RYUDHWBXSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1[nH]ncc1F ZINC001271293852 894110834 /nfs/dbraw/zinc/11/08/34/894110834.db2.gz MENXGUSGGNDSQZ-JTQLQIEISA-N 1 2 266.320 0.916 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001482613906 894410847 /nfs/dbraw/zinc/41/08/47/894410847.db2.gz DTLAWAJDDFLDAO-CZUORRHYSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001482613906 894410853 /nfs/dbraw/zinc/41/08/53/894410853.db2.gz DTLAWAJDDFLDAO-CZUORRHYSA-N 1 2 291.395 0.316 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001496757541 894420712 /nfs/dbraw/zinc/42/07/12/894420712.db2.gz GCGFZASWUCQVSP-MNOVXSKESA-N 1 2 287.791 0.641 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001496757541 894420715 /nfs/dbraw/zinc/42/07/15/894420715.db2.gz GCGFZASWUCQVSP-MNOVXSKESA-N 1 2 287.791 0.641 20 30 CCEDLO N#CCNC[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001482698601 894495125 /nfs/dbraw/zinc/49/51/25/894495125.db2.gz LYYFHQLHLHXCHD-NWDGAFQWSA-N 1 2 261.329 0.281 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N)o1 ZINC001482990691 894778364 /nfs/dbraw/zinc/77/83/64/894778364.db2.gz GORBQQHELDUUKS-CDAZIORVSA-N 1 2 263.301 0.300 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1nnc(C2CC2)o1 ZINC001482992812 894780109 /nfs/dbraw/zinc/78/01/09/894780109.db2.gz ZETIXNJZBYHGMJ-VMZHVLLKSA-N 1 2 289.339 0.869 20 30 CCEDLO CCn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N)n1 ZINC001482992121 894782106 /nfs/dbraw/zinc/78/21/06/894782106.db2.gz VPWYCQFNWYHTBD-WYGGZMRJSA-N 1 2 276.344 0.220 20 30 CCEDLO C#Cc1cncc(C(=O)NC/C=C/C[NH2+]Cc2cnon2)c1 ZINC001483056403 894861309 /nfs/dbraw/zinc/86/13/09/894861309.db2.gz FEDAJCIPVCJNKW-ONEGZZNKSA-N 1 2 297.318 0.522 20 30 CCEDLO N#Cc1cc(C(=O)NC2(CCO)C[NH+](CCCF)C2)c[nH]1 ZINC001409715077 895345561 /nfs/dbraw/zinc/34/55/61/895345561.db2.gz ZOQYETBCBROVQH-UHFFFAOYSA-N 1 2 294.330 0.413 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+]Cc1nocc1C ZINC001507180260 895474872 /nfs/dbraw/zinc/47/48/72/895474872.db2.gz TZBGYDDKIWQKNM-LLVKDONJSA-N 1 2 267.329 0.516 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001483670140 895828836 /nfs/dbraw/zinc/82/88/36/895828836.db2.gz JZQAVUNYPRUMFI-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001483670140 895828839 /nfs/dbraw/zinc/82/88/39/895828839.db2.gz JZQAVUNYPRUMFI-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CCOCCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001483733099 895936203 /nfs/dbraw/zinc/93/62/03/895936203.db2.gz SPCNUSJNLBFORH-UHFFFAOYSA-N 1 2 288.351 0.255 20 30 CCEDLO C#CCN1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001483881038 896104439 /nfs/dbraw/zinc/10/44/39/896104439.db2.gz ALLMPEWXXWRIMM-LBPRGKRZSA-N 1 2 260.341 0.610 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001484269705 896307006 /nfs/dbraw/zinc/30/70/06/896307006.db2.gz DRDBLRQTHIGNJK-YPMHNXCESA-N 1 2 288.363 0.225 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)C(C)=C2CCC2)C1 ZINC001484272372 896307331 /nfs/dbraw/zinc/30/73/31/896307331.db2.gz CJQBYOBMIJQEPE-UHFFFAOYSA-N 1 2 294.395 0.852 20 30 CCEDLO C#CCCCC(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001484271046 896309124 /nfs/dbraw/zinc/30/91/24/896309124.db2.gz USQOOHJQRGFNRS-CYBMUJFWSA-N 1 2 282.384 0.114 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001484603586 896490893 /nfs/dbraw/zinc/49/08/93/896490893.db2.gz NDKTWIPWYYYDHO-ZIAGYGMSSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001484603586 896490897 /nfs/dbraw/zinc/49/08/97/896490897.db2.gz NDKTWIPWYYYDHO-ZIAGYGMSSA-N 1 2 297.399 0.294 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001484717425 896555493 /nfs/dbraw/zinc/55/54/93/896555493.db2.gz BRZHLEMNGGTAFN-CYBMUJFWSA-N 1 2 289.383 0.847 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](CC)OC)O2 ZINC001484783917 896601113 /nfs/dbraw/zinc/60/11/13/896601113.db2.gz XGLWSCXTAPUZBH-STQMWFEESA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001484798578 896612157 /nfs/dbraw/zinc/61/21/57/896612157.db2.gz MQXSJAOGIIXHKB-QWHCGFSZSA-N 1 2 294.395 0.376 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485495521 897081790 /nfs/dbraw/zinc/08/17/90/897081790.db2.gz BAZTUNMEPNHUNU-NSHDSACASA-N 1 2 278.356 0.029 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001107870124 897400574 /nfs/dbraw/zinc/40/05/74/897400574.db2.gz OOWTVTZGYATTMC-WFASDCNBSA-N 1 2 296.367 0.333 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001107870124 897400577 /nfs/dbraw/zinc/40/05/77/897400577.db2.gz OOWTVTZGYATTMC-WFASDCNBSA-N 1 2 296.367 0.333 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(F)F)CC2 ZINC001127909785 897452163 /nfs/dbraw/zinc/45/21/63/897452163.db2.gz DPDAMMXVAPVOOM-SECBINFHSA-N 1 2 297.309 0.087 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929031 897506090 /nfs/dbraw/zinc/50/60/90/897506090.db2.gz MICZXXMZVCEYTP-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929031 897506102 /nfs/dbraw/zinc/50/61/02/897506102.db2.gz MICZXXMZVCEYTP-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001107935511 897519454 /nfs/dbraw/zinc/51/94/54/897519454.db2.gz DCXVYTFHLWCHDX-CQSZACIVSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001107935511 897519465 /nfs/dbraw/zinc/51/94/65/897519465.db2.gz DCXVYTFHLWCHDX-CQSZACIVSA-N 1 2 293.371 0.049 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1OC ZINC001032472140 897612030 /nfs/dbraw/zinc/61/20/30/897612030.db2.gz HAAJZUMCKPRBJX-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1OC ZINC001032472140 897612043 /nfs/dbraw/zinc/61/20/43/897612043.db2.gz HAAJZUMCKPRBJX-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001032471873 897612771 /nfs/dbraw/zinc/61/27/71/897612771.db2.gz AZAAIBYJNADODW-KBPBESRZSA-N 1 2 286.379 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212386763 897787926 /nfs/dbraw/zinc/78/79/26/897787926.db2.gz KIBOVZJHKWNWAF-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212386763 897787931 /nfs/dbraw/zinc/78/79/31/897787931.db2.gz KIBOVZJHKWNWAF-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nonc2c1 ZINC001032601013 897807715 /nfs/dbraw/zinc/80/77/15/897807715.db2.gz LHIZGGAQPUZYAF-RYUDHWBXSA-N 1 2 282.303 0.755 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nonc2c1 ZINC001032601013 897807719 /nfs/dbraw/zinc/80/77/19/897807719.db2.gz LHIZGGAQPUZYAF-RYUDHWBXSA-N 1 2 282.303 0.755 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001032729411 898019150 /nfs/dbraw/zinc/01/91/50/898019150.db2.gz BGOFJMWTXNYSRQ-QEJZJMRPSA-N 1 2 298.390 0.823 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001032729411 898019167 /nfs/dbraw/zinc/01/91/67/898019167.db2.gz BGOFJMWTXNYSRQ-QEJZJMRPSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001032730351 898023911 /nfs/dbraw/zinc/02/39/11/898023911.db2.gz BKEFEBYCZURUNS-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001032730351 898023922 /nfs/dbraw/zinc/02/39/22/898023922.db2.gz BKEFEBYCZURUNS-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001032730351 898023929 /nfs/dbraw/zinc/02/39/29/898023929.db2.gz BKEFEBYCZURUNS-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001032730351 898023938 /nfs/dbraw/zinc/02/39/38/898023938.db2.gz BKEFEBYCZURUNS-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001032730143 898025152 /nfs/dbraw/zinc/02/51/52/898025152.db2.gz WWFCFOSCXRIEKU-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001032730143 898025166 /nfs/dbraw/zinc/02/51/66/898025166.db2.gz WWFCFOSCXRIEKU-AGIUHOORSA-N 1 2 299.378 0.218 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1F ZINC001032758057 898107485 /nfs/dbraw/zinc/10/74/85/898107485.db2.gz ZBWGPNFBVYQWLV-RYUDHWBXSA-N 1 2 290.342 0.790 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1F ZINC001032758057 898107493 /nfs/dbraw/zinc/10/74/93/898107493.db2.gz ZBWGPNFBVYQWLV-RYUDHWBXSA-N 1 2 290.342 0.790 20 30 CCEDLO CCOC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272889874 898128489 /nfs/dbraw/zinc/12/84/89/898128489.db2.gz UTSPMJPBGJZWBM-CHWSQXEVSA-N 1 2 293.367 0.919 20 30 CCEDLO CCOC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272889874 898128495 /nfs/dbraw/zinc/12/84/95/898128495.db2.gz UTSPMJPBGJZWBM-CHWSQXEVSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001078001630 898170611 /nfs/dbraw/zinc/17/06/11/898170611.db2.gz DIOCXOYHVQSVIT-YNEHKIRRSA-N 1 2 292.404 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001078001630 898170621 /nfs/dbraw/zinc/17/06/21/898170621.db2.gz DIOCXOYHVQSVIT-YNEHKIRRSA-N 1 2 292.404 0.955 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C#CC1CC1 ZINC001078034924 898195047 /nfs/dbraw/zinc/19/50/47/898195047.db2.gz DWTCSFRJOVECII-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001078165951 898275716 /nfs/dbraw/zinc/27/57/16/898275716.db2.gz GPHRYIGUPPAAMP-VXGBXAGGSA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001078165951 898275733 /nfs/dbraw/zinc/27/57/33/898275733.db2.gz GPHRYIGUPPAAMP-VXGBXAGGSA-N 1 2 279.340 0.506 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1ncc(C)o1 ZINC001485990646 898578816 /nfs/dbraw/zinc/57/88/16/898578816.db2.gz JWHXYKQKKOMKHX-STQMWFEESA-N 1 2 293.367 0.914 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486821689 898999874 /nfs/dbraw/zinc/99/98/74/898999874.db2.gz RNHCDYATAGWJHJ-LBPRGKRZSA-N 1 2 292.383 0.892 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)COC2CCCC2)C1 ZINC001494343163 899073295 /nfs/dbraw/zinc/07/32/95/899073295.db2.gz SZWIZRDUQJMZDA-UHFFFAOYSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001494355337 899082884 /nfs/dbraw/zinc/08/28/84/899082884.db2.gz MWLDRBFIVWEEED-CYBMUJFWSA-N 1 2 278.356 0.011 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486980591 899091793 /nfs/dbraw/zinc/09/17/93/899091793.db2.gz KNZVOGXOKLLZPW-WDEREUQCSA-N 1 2 291.355 0.085 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001488676053 900344347 /nfs/dbraw/zinc/34/43/47/900344347.db2.gz ZKKFVSSTNUBUCS-ZIAGYGMSSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001488676053 900344356 /nfs/dbraw/zinc/34/43/56/900344356.db2.gz ZKKFVSSTNUBUCS-ZIAGYGMSSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001488846428 900392276 /nfs/dbraw/zinc/39/22/76/900392276.db2.gz IZFJISDLWKELRF-XYPYZODXSA-N 1 2 292.387 0.407 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1CCF ZINC001489249140 900453947 /nfs/dbraw/zinc/45/39/47/900453947.db2.gz NOTMENRVFLSKML-ZJUUUORDSA-N 1 2 259.350 0.792 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1CCF ZINC001489249140 900453954 /nfs/dbraw/zinc/45/39/54/900453954.db2.gz NOTMENRVFLSKML-ZJUUUORDSA-N 1 2 259.350 0.792 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC001490193431 900563173 /nfs/dbraw/zinc/56/31/73/900563173.db2.gz QLHYBCIAOOZMRB-LLVKDONJSA-N 1 2 294.355 0.354 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC001490193431 900563181 /nfs/dbraw/zinc/56/31/81/900563181.db2.gz QLHYBCIAOOZMRB-LLVKDONJSA-N 1 2 294.355 0.354 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001490188164 900565264 /nfs/dbraw/zinc/56/52/64/900565264.db2.gz VKKNAZMGTFMMNR-AWEZNQCLSA-N 1 2 295.387 0.378 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001490188164 900565279 /nfs/dbraw/zinc/56/52/79/900565279.db2.gz VKKNAZMGTFMMNR-AWEZNQCLSA-N 1 2 295.387 0.378 20 30 CCEDLO C#Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2cnon2)nc1 ZINC001490271780 900588939 /nfs/dbraw/zinc/58/89/39/900588939.db2.gz PEDNYNPBTBQAQP-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO C#Cc1ccc(C(=O)NCCC[N@H+](C)Cc2cnon2)nc1 ZINC001490271780 900588944 /nfs/dbraw/zinc/58/89/44/900588944.db2.gz PEDNYNPBTBQAQP-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@H](C)C#N)CC2)n1 ZINC001490401920 900615964 /nfs/dbraw/zinc/61/59/64/900615964.db2.gz DXVMDVMPMCKYFW-SNVBAGLBSA-N 1 2 291.355 0.961 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001490434401 900630321 /nfs/dbraw/zinc/63/03/21/900630321.db2.gz RGVOIDXTJBAFLT-QWGHSUKYSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001490434401 900630326 /nfs/dbraw/zinc/63/03/26/900630326.db2.gz RGVOIDXTJBAFLT-QWGHSUKYSA-N 1 2 279.384 0.835 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2CC2(F)F)CC1 ZINC001490491769 900640774 /nfs/dbraw/zinc/64/07/74/900640774.db2.gz SLIMFVSLZUAFIO-LLVKDONJSA-N 1 2 271.311 0.009 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001490501649 900644616 /nfs/dbraw/zinc/64/46/16/900644616.db2.gz YPFGXUOTRFMQIE-MRXNPFEDSA-N 1 2 298.390 0.584 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001275561138 901127428 /nfs/dbraw/zinc/12/74/28/901127428.db2.gz XDJXMZXXZSZTAX-VXGBXAGGSA-N 1 2 274.368 0.899 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001275561138 901127436 /nfs/dbraw/zinc/12/74/36/901127436.db2.gz XDJXMZXXZSZTAX-VXGBXAGGSA-N 1 2 274.368 0.899 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001411664134 901187146 /nfs/dbraw/zinc/18/71/46/901187146.db2.gz FDSYEZRNBDJUNO-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327534254 914597519 /nfs/dbraw/zinc/59/75/19/914597519.db2.gz DIPAVPXPLYFEKT-CHWSQXEVSA-N 1 2 283.372 0.304 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001398297412 914611469 /nfs/dbraw/zinc/61/14/69/914611469.db2.gz VYTIGCZBQATBJX-DGCLKSJQSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001398297412 914611479 /nfs/dbraw/zinc/61/14/79/914611479.db2.gz VYTIGCZBQATBJX-DGCLKSJQSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cnc(C#N)c(C#N)n2)[C@H](C)CO1 ZINC001412903275 902346305 /nfs/dbraw/zinc/34/63/05/902346305.db2.gz XAPLKHMDMLFBPG-GHMZBOCLSA-N 1 2 286.339 0.741 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cnc(C#N)c(C#N)n2)[C@H](C)CO1 ZINC001412903275 902346321 /nfs/dbraw/zinc/34/63/21/902346321.db2.gz XAPLKHMDMLFBPG-GHMZBOCLSA-N 1 2 286.339 0.741 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001491202605 903444201 /nfs/dbraw/zinc/44/42/01/903444201.db2.gz YVXUSQJECTXZCB-OLZOCXBDSA-N 1 2 297.399 0.424 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001491202605 903444213 /nfs/dbraw/zinc/44/42/13/903444213.db2.gz YVXUSQJECTXZCB-OLZOCXBDSA-N 1 2 297.399 0.424 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491205898 903445816 /nfs/dbraw/zinc/44/58/16/903445816.db2.gz VRDHNXNDQKUDNL-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491205898 903445820 /nfs/dbraw/zinc/44/58/20/903445820.db2.gz VRDHNXNDQKUDNL-AAEUAGOBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)C#CC1CC1 ZINC001491278127 903480480 /nfs/dbraw/zinc/48/04/80/903480480.db2.gz NTGWXLPWDFEGKZ-LLVKDONJSA-N 1 2 288.351 0.234 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)C#CC1CC1 ZINC001491278127 903480485 /nfs/dbraw/zinc/48/04/85/903480485.db2.gz NTGWXLPWDFEGKZ-LLVKDONJSA-N 1 2 288.351 0.234 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCCCOC)CO2 ZINC001280934878 904174598 /nfs/dbraw/zinc/17/45/98/904174598.db2.gz JJMFNWVXMDXZPS-AWEZNQCLSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1COC2(C[NH+](CCOCC)C2)C1 ZINC001280934841 904177064 /nfs/dbraw/zinc/17/70/64/904177064.db2.gz JCNRMEOSPKBDHG-ZDUSSCGKSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CSCC#N)CO2 ZINC001280936242 904177742 /nfs/dbraw/zinc/17/77/42/904177742.db2.gz OFJBLXUMYLOOAU-LBPRGKRZSA-N 1 2 293.392 0.226 20 30 CCEDLO Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001398693010 914788590 /nfs/dbraw/zinc/78/85/90/914788590.db2.gz SGXVRFHVRPZDNY-ZYHUDNBSSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001398693010 914788598 /nfs/dbraw/zinc/78/85/98/914788598.db2.gz SGXVRFHVRPZDNY-ZYHUDNBSSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(NCC#N)CC1 ZINC001281526960 904298471 /nfs/dbraw/zinc/29/84/71/904298471.db2.gz RPKFIAFFURSDAS-UHFFFAOYSA-N 1 2 275.356 0.755 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCC(F)F)CC2)C1 ZINC001281587941 904308537 /nfs/dbraw/zinc/30/85/37/904308537.db2.gz FXZAHTVQOXAUGH-UHFFFAOYSA-N 1 2 285.338 0.493 20 30 CCEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)COC ZINC001281768817 904346948 /nfs/dbraw/zinc/34/69/48/904346948.db2.gz UTYQYUXENZLYLS-HNNXBMFYSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)COC ZINC001281768817 904346962 /nfs/dbraw/zinc/34/69/62/904346962.db2.gz UTYQYUXENZLYLS-HNNXBMFYSA-N 1 2 272.348 0.982 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001282524003 904500660 /nfs/dbraw/zinc/50/06/60/904500660.db2.gz UIOWEBMZCWABRO-OLZOCXBDSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001282745071 904537879 /nfs/dbraw/zinc/53/78/79/904537879.db2.gz TXOYTHYXWGIEEL-IAQYHMDHSA-N 1 2 281.400 0.771 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C)n1 ZINC001377345962 904795026 /nfs/dbraw/zinc/79/50/26/904795026.db2.gz CMCFUZHZJPOSLK-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C)n1 ZINC001377345962 904795037 /nfs/dbraw/zinc/79/50/37/904795037.db2.gz CMCFUZHZJPOSLK-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001283338437 904811116 /nfs/dbraw/zinc/81/11/16/904811116.db2.gz BTDBHTMOLPRFAK-GFCCVEGCSA-N 1 2 288.351 0.473 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001377374841 904817518 /nfs/dbraw/zinc/81/75/18/904817518.db2.gz DMQWKQSYNSCSHZ-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001377374841 904817528 /nfs/dbraw/zinc/81/75/28/904817528.db2.gz DMQWKQSYNSCSHZ-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001377843053 905185467 /nfs/dbraw/zinc/18/54/67/905185467.db2.gz NPYYNZAQWRTKHQ-KOLCDFICSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001377843053 905185474 /nfs/dbraw/zinc/18/54/74/905185474.db2.gz NPYYNZAQWRTKHQ-KOLCDFICSA-N 1 2 287.791 0.831 20 30 CCEDLO CC#CC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC001284337103 905252640 /nfs/dbraw/zinc/25/26/40/905252640.db2.gz XOTHSLCAOGHCAW-LLVKDONJSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284374943 905263229 /nfs/dbraw/zinc/26/32/29/905263229.db2.gz QRHRUNGBMRKWAF-GFCCVEGCSA-N 1 2 290.367 0.883 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001378048461 905376155 /nfs/dbraw/zinc/37/61/55/905376155.db2.gz MQUUIEVQZSOHJF-VIFPVBQESA-N 1 2 285.779 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001378048461 905376170 /nfs/dbraw/zinc/37/61/70/905376170.db2.gz MQUUIEVQZSOHJF-VIFPVBQESA-N 1 2 285.779 0.845 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001378118831 905432058 /nfs/dbraw/zinc/43/20/58/905432058.db2.gz ARDNIDBALIVYIC-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001378118831 905432075 /nfs/dbraw/zinc/43/20/75/905432075.db2.gz ARDNIDBALIVYIC-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)C2CC2)C1 ZINC001378487435 905637855 /nfs/dbraw/zinc/63/78/55/905637855.db2.gz IYUVOIZENIMQBY-SNVBAGLBSA-N 1 2 299.802 0.702 20 30 CCEDLO CC(C)OCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001378657692 905739947 /nfs/dbraw/zinc/73/99/47/905739947.db2.gz ZCHLZVQCRRHIQT-QWHCGFSZSA-N 1 2 283.372 0.388 20 30 CCEDLO CC(C)OCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001378657692 905739959 /nfs/dbraw/zinc/73/99/59/905739959.db2.gz ZCHLZVQCRRHIQT-QWHCGFSZSA-N 1 2 283.372 0.388 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296253160 906885454 /nfs/dbraw/zinc/88/54/54/906885454.db2.gz JBESBACDSKVUTM-NWDGAFQWSA-N 1 2 292.383 0.985 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001296848020 906970933 /nfs/dbraw/zinc/97/09/33/906970933.db2.gz MNFMCNSFLDNJDK-ZIAGYGMSSA-N 1 2 277.368 0.861 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001296848020 906970948 /nfs/dbraw/zinc/97/09/48/906970948.db2.gz MNFMCNSFLDNJDK-ZIAGYGMSSA-N 1 2 277.368 0.861 20 30 CCEDLO CC(C)(CNc1nnccc1C#N)[NH+]1CCOCC1 ZINC001337702417 921286881 /nfs/dbraw/zinc/28/68/81/921286881.db2.gz JMEICMDFKHPNEJ-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001299069493 907379855 /nfs/dbraw/zinc/37/98/55/907379855.db2.gz ZQKXWQGEKZZAEH-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491591904 907428117 /nfs/dbraw/zinc/42/81/17/907428117.db2.gz GWIUGLOZCUJXOA-JTQLQIEISA-N 1 2 295.387 0.305 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)Cc1c(C)nnn1CC ZINC001492236109 907789308 /nfs/dbraw/zinc/78/93/08/907789308.db2.gz FDCAZQLIBKCORG-UHFFFAOYSA-N 1 2 291.399 0.958 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)Cc1c(C)nnn1CC ZINC001492236109 907789313 /nfs/dbraw/zinc/78/93/13/907789313.db2.gz FDCAZQLIBKCORG-UHFFFAOYSA-N 1 2 291.399 0.958 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001492278060 907826341 /nfs/dbraw/zinc/82/63/41/907826341.db2.gz JYRAGTQHZABFNL-UHFFFAOYSA-N 1 2 297.790 0.956 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001492278060 907826354 /nfs/dbraw/zinc/82/63/54/907826354.db2.gz JYRAGTQHZABFNL-UHFFFAOYSA-N 1 2 297.790 0.956 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001492419705 907914626 /nfs/dbraw/zinc/91/46/26/907914626.db2.gz LEWKWUCZSNTWPT-KGLIPLIRSA-N 1 2 292.383 0.559 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1cncn1C ZINC001492419705 907914636 /nfs/dbraw/zinc/91/46/36/907914636.db2.gz LEWKWUCZSNTWPT-KGLIPLIRSA-N 1 2 292.383 0.559 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001384416978 908226246 /nfs/dbraw/zinc/22/62/46/908226246.db2.gz RWMGPHDNBCPONX-WDEREUQCSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001385339959 908404835 /nfs/dbraw/zinc/40/48/35/908404835.db2.gz PFOIPEGJPCMBPT-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C)C1CC1 ZINC001316779703 908770595 /nfs/dbraw/zinc/77/05/95/908770595.db2.gz LBERFAHEVPOJGE-WZRBSPASSA-N 1 2 292.383 0.251 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C)C1CC1 ZINC001316779703 908770604 /nfs/dbraw/zinc/77/06/04/908770604.db2.gz LBERFAHEVPOJGE-WZRBSPASSA-N 1 2 292.383 0.251 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001316964973 908871632 /nfs/dbraw/zinc/87/16/32/908871632.db2.gz MFPIZGUPDIAUHZ-HUUCEWRRSA-N 1 2 293.411 0.169 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001316988384 908903581 /nfs/dbraw/zinc/90/35/81/908903581.db2.gz ZQEUGAPDXNQXMC-JTQLQIEISA-N 1 2 280.303 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001316988384 908903592 /nfs/dbraw/zinc/90/35/92/908903592.db2.gz ZQEUGAPDXNQXMC-JTQLQIEISA-N 1 2 280.303 0.003 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001317057871 908947404 /nfs/dbraw/zinc/94/74/04/908947404.db2.gz LAYLRQBKJTWAMS-LBPRGKRZSA-N 1 2 276.340 0.728 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCCN(CC#N)C1 ZINC001317203911 909039258 /nfs/dbraw/zinc/03/92/58/909039258.db2.gz KIQSNHJNAQVQEI-STQMWFEESA-N 1 2 289.383 0.703 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCCN(CC#N)C1 ZINC001317203909 909041751 /nfs/dbraw/zinc/04/17/51/909041751.db2.gz KIQSNHJNAQVQEI-OLZOCXBDSA-N 1 2 289.383 0.703 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H](C)C#N ZINC001387578885 909154176 /nfs/dbraw/zinc/15/41/76/909154176.db2.gz CABSUGWYWFJVRI-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1=CCCC1 ZINC001317442462 909205410 /nfs/dbraw/zinc/20/54/10/909205410.db2.gz IJIUVDMFYYSUKZ-UHFFFAOYSA-N 1 2 265.357 0.447 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1=CCCC1 ZINC001317442462 909205420 /nfs/dbraw/zinc/20/54/20/909205420.db2.gz IJIUVDMFYYSUKZ-UHFFFAOYSA-N 1 2 265.357 0.447 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001317442739 909209897 /nfs/dbraw/zinc/20/98/97/909209897.db2.gz LHKOWGMNQRHGPU-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001317442739 909209908 /nfs/dbraw/zinc/20/99/08/909209908.db2.gz LHKOWGMNQRHGPU-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317524448 909289776 /nfs/dbraw/zinc/28/97/76/909289776.db2.gz XIHHRQHKFPYGEY-NXEZZACHSA-N 1 2 263.301 0.167 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317524448 909289790 /nfs/dbraw/zinc/28/97/90/909289790.db2.gz XIHHRQHKFPYGEY-NXEZZACHSA-N 1 2 263.301 0.167 20 30 CCEDLO C/C=C(/C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317816771 909508340 /nfs/dbraw/zinc/50/83/40/909508340.db2.gz NCVJRUAENHCIJU-PQMHYQBVSA-N 1 2 264.373 0.552 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317984890 909559972 /nfs/dbraw/zinc/55/99/72/909559972.db2.gz HEQGJTZQCYOPTK-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317984890 909559983 /nfs/dbraw/zinc/55/99/83/909559983.db2.gz HEQGJTZQCYOPTK-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CNC(=O)N2CCCC2)C1 ZINC001318025407 909587529 /nfs/dbraw/zinc/58/75/29/909587529.db2.gz VYRVBGXPHKZIJZ-UHFFFAOYSA-N 1 2 280.372 0.168 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001318166108 909650431 /nfs/dbraw/zinc/65/04/31/909650431.db2.gz YJKZPFWZROSLIJ-ZIAGYGMSSA-N 1 2 293.411 0.629 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318209323 909661736 /nfs/dbraw/zinc/66/17/36/909661736.db2.gz MAODBHJQWQJDIX-AVGNSLFASA-N 1 2 297.374 0.712 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318209323 909661747 /nfs/dbraw/zinc/66/17/47/909661747.db2.gz MAODBHJQWQJDIX-AVGNSLFASA-N 1 2 297.374 0.712 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318209321 909663474 /nfs/dbraw/zinc/66/34/74/909663474.db2.gz MAODBHJQWQJDIX-AGIUHOORSA-N 1 2 297.374 0.712 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318209321 909663481 /nfs/dbraw/zinc/66/34/81/909663481.db2.gz MAODBHJQWQJDIX-AGIUHOORSA-N 1 2 297.374 0.712 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001318240875 909672969 /nfs/dbraw/zinc/67/29/69/909672969.db2.gz RDRBVUFGIKMBAP-WOLRVDTOSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001318240875 909672979 /nfs/dbraw/zinc/67/29/79/909672979.db2.gz RDRBVUFGIKMBAP-WOLRVDTOSA-N 1 2 291.395 0.529 20 30 CCEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC=CC1 ZINC001318351835 909723193 /nfs/dbraw/zinc/72/31/93/909723193.db2.gz XIBMMIQTVPMWQY-GFCCVEGCSA-N 1 2 290.367 0.173 20 30 CCEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC=CC1 ZINC001318351835 909723203 /nfs/dbraw/zinc/72/32/03/909723203.db2.gz XIBMMIQTVPMWQY-GFCCVEGCSA-N 1 2 290.367 0.173 20 30 CCEDLO CCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318393255 909740101 /nfs/dbraw/zinc/74/01/01/909740101.db2.gz JCUIDWJFGRJXFY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318393255 909740113 /nfs/dbraw/zinc/74/01/13/909740113.db2.gz JCUIDWJFGRJXFY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001319308860 910088589 /nfs/dbraw/zinc/08/85/89/910088589.db2.gz GNXSKSSALLSRJU-CYBMUJFWSA-N 1 2 282.384 0.235 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001319308860 910088607 /nfs/dbraw/zinc/08/86/07/910088607.db2.gz GNXSKSSALLSRJU-CYBMUJFWSA-N 1 2 282.384 0.235 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001319310947 910092477 /nfs/dbraw/zinc/09/24/77/910092477.db2.gz RZMRPQADKGILIV-VXGBXAGGSA-N 1 2 256.346 0.006 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001319310947 910092487 /nfs/dbraw/zinc/09/24/87/910092487.db2.gz RZMRPQADKGILIV-VXGBXAGGSA-N 1 2 256.346 0.006 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001320042504 910433943 /nfs/dbraw/zinc/43/39/43/910433943.db2.gz ODNRDFNVQAYZPR-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001320042504 910433955 /nfs/dbraw/zinc/43/39/55/910433955.db2.gz ODNRDFNVQAYZPR-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO N#CCNC[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320258298 910561691 /nfs/dbraw/zinc/56/16/91/910561691.db2.gz LKSUQILJCMPDHC-CQSZACIVSA-N 1 2 299.334 0.076 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(=O)[nH]c3)n2C)CC1 ZINC001338897257 921598060 /nfs/dbraw/zinc/59/80/60/921598060.db2.gz XAUUBUZMXVJFNN-UHFFFAOYSA-N 1 2 298.350 0.338 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1COCCO1 ZINC001390888251 910758308 /nfs/dbraw/zinc/75/83/08/910758308.db2.gz VJDVWQCRYALHBE-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1COCCO1 ZINC001390888251 910758324 /nfs/dbraw/zinc/75/83/24/910758324.db2.gz VJDVWQCRYALHBE-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO COCC#CC[NH2+]CC=CCNC(=O)c1[nH]nc(C)c1C ZINC001321002264 911006411 /nfs/dbraw/zinc/00/64/11/911006411.db2.gz YSOPDLCUYSPPIK-PLNGDYQASA-N 1 2 290.367 0.552 20 30 CCEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC001321100086 911086983 /nfs/dbraw/zinc/08/69/83/911086983.db2.gz UMIARAXVNCVSFE-SNVBAGLBSA-N 1 2 281.385 0.943 20 30 CCEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC001321100086 911086996 /nfs/dbraw/zinc/08/69/96/911086996.db2.gz UMIARAXVNCVSFE-SNVBAGLBSA-N 1 2 281.385 0.943 20 30 CCEDLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC001321643504 911417411 /nfs/dbraw/zinc/41/74/11/911417411.db2.gz VUOLYSBSEUQEQX-JTQLQIEISA-N 1 2 273.300 0.114 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC(C)C ZINC001323181066 912158281 /nfs/dbraw/zinc/15/82/81/912158281.db2.gz INDIUWZYBDBYDT-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC(C)C ZINC001323181066 912158294 /nfs/dbraw/zinc/15/82/94/912158294.db2.gz INDIUWZYBDBYDT-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CC[N@@H+](CCS(=O)(=O)CCC(N)=O)C(C)C ZINC001339465569 921730630 /nfs/dbraw/zinc/73/06/30/921730630.db2.gz NRRXQGZDLJPEFP-UHFFFAOYSA-N 1 2 262.375 0.173 20 30 CCEDLO C=CC[N@H+](CCS(=O)(=O)CCC(N)=O)C(C)C ZINC001339465569 921730640 /nfs/dbraw/zinc/73/06/40/921730640.db2.gz NRRXQGZDLJPEFP-UHFFFAOYSA-N 1 2 262.375 0.173 20 30 CCEDLO C#CCNC(=O)C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC001328412303 915179903 /nfs/dbraw/zinc/17/99/03/915179903.db2.gz IWBQPXZKMNCPSX-UHFFFAOYSA-N 1 2 262.313 0.065 20 30 CCEDLO Cc1cc(N(C)CCNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001418033954 921771577 /nfs/dbraw/zinc/77/15/77/921771577.db2.gz WGKOAKHCMMDWHD-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO C=CCN(c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001339591841 921772146 /nfs/dbraw/zinc/77/21/46/921772146.db2.gz PTLNGUCEISELIM-IUODEOHRSA-N 1 2 291.399 0.882 20 30 CCEDLO C=CCN(c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001339591841 921772157 /nfs/dbraw/zinc/77/21/57/921772157.db2.gz PTLNGUCEISELIM-IUODEOHRSA-N 1 2 291.399 0.882 20 30 CCEDLO C[C@H](NC(=O)C1CC=CC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001329984469 916333655 /nfs/dbraw/zinc/33/36/55/916333655.db2.gz MPHKUURUNXFUFV-NSHDSACASA-N 1 2 290.367 0.029 20 30 CCEDLO C=C(C)Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC001330767134 916844956 /nfs/dbraw/zinc/84/49/56/916844956.db2.gz HVYZKHSQYMOJSL-JTQLQIEISA-N 1 2 270.358 0.131 20 30 CCEDLO CC#CC[N@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001331123039 917106344 /nfs/dbraw/zinc/10/63/44/917106344.db2.gz PAKDQEREOJBFOJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001331123039 917106353 /nfs/dbraw/zinc/10/63/53/917106353.db2.gz PAKDQEREOJBFOJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@H+](C)CCOCCNC(=O)[C@H](F)C(F)(F)F ZINC001331123039 917106362 /nfs/dbraw/zinc/10/63/62/917106362.db2.gz PAKDQEREOJBFOJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@@H+](C)CCOCCNC(=O)[C@H](F)C(F)(F)F ZINC001331123039 917106372 /nfs/dbraw/zinc/10/63/72/917106372.db2.gz PAKDQEREOJBFOJ-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CCn1cc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)nn1 ZINC001402635326 917146548 /nfs/dbraw/zinc/14/65/48/917146548.db2.gz FQRFDUNZCSPDSU-LBPRGKRZSA-N 1 2 292.387 0.738 20 30 CCEDLO CCn1cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)nn1 ZINC001402635326 917146555 /nfs/dbraw/zinc/14/65/55/917146555.db2.gz FQRFDUNZCSPDSU-LBPRGKRZSA-N 1 2 292.387 0.738 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCOCC1 ZINC001331282046 917243509 /nfs/dbraw/zinc/24/35/09/917243509.db2.gz PHHVCWQPECMYCF-AAEUAGOBSA-N 1 2 261.325 0.989 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001331490899 917371823 /nfs/dbraw/zinc/37/18/23/917371823.db2.gz RGCUEKZTZMZNHO-NWDGAFQWSA-N 1 2 275.356 0.406 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001331772502 917594089 /nfs/dbraw/zinc/59/40/89/917594089.db2.gz OPBLWPYPNOCGRA-JTQLQIEISA-N 1 2 283.397 0.922 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001332028916 917808608 /nfs/dbraw/zinc/80/86/08/917808608.db2.gz ZIFAIKACLHPRQU-GRYCIOLGSA-N 1 2 289.339 0.196 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CNC(=O)NC)C1CC1 ZINC001404230030 918251044 /nfs/dbraw/zinc/25/10/44/918251044.db2.gz XSIWVCJTTIGDOQ-UHFFFAOYSA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CNC(=O)NC)C1CC1 ZINC001404230030 918251059 /nfs/dbraw/zinc/25/10/59/918251059.db2.gz XSIWVCJTTIGDOQ-UHFFFAOYSA-N 1 2 288.779 0.249 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 ZINC001404984989 918547019 /nfs/dbraw/zinc/54/70/19/918547019.db2.gz FQPNBGJQFJEKFR-JQWIXIFHSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 ZINC001404984989 918547026 /nfs/dbraw/zinc/54/70/26/918547026.db2.gz FQPNBGJQFJEKFR-JQWIXIFHSA-N 1 2 273.340 0.635 20 30 CCEDLO COCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001405802034 918915450 /nfs/dbraw/zinc/91/54/50/918915450.db2.gz XTXYEXRYOUAJCR-VHSXEESVSA-N 1 2 295.343 0.312 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001492950392 919183542 /nfs/dbraw/zinc/18/35/42/919183542.db2.gz QFYQVZWQJNBSLJ-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001492950392 919183555 /nfs/dbraw/zinc/18/35/55/919183555.db2.gz QFYQVZWQJNBSLJ-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406510745 919315355 /nfs/dbraw/zinc/31/53/55/919315355.db2.gz UIKXQRPVOWUJAN-WDEREUQCSA-N 1 2 289.339 0.171 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC001335137342 919977702 /nfs/dbraw/zinc/97/77/02/919977702.db2.gz ZAXJUXSOYBTESG-GWCFXTLKSA-N 1 2 276.365 0.961 20 30 CCEDLO N#CCCn1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC001414401357 920305064 /nfs/dbraw/zinc/30/50/64/920305064.db2.gz JVKTUCPWCUUQFR-JTQLQIEISA-N 1 2 285.311 0.740 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001339947095 921889505 /nfs/dbraw/zinc/88/95/05/921889505.db2.gz FAQQGAMGALOIMD-VXGBXAGGSA-N 1 2 277.372 0.731 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001339947095 921889512 /nfs/dbraw/zinc/88/95/12/921889512.db2.gz FAQQGAMGALOIMD-VXGBXAGGSA-N 1 2 277.372 0.731 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001418839125 922448220 /nfs/dbraw/zinc/44/82/20/922448220.db2.gz NTADKLPDNSMRNH-ZDUSSCGKSA-N 1 2 284.323 0.705 20 30 CCEDLO N#CCc1cccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001418998734 922554451 /nfs/dbraw/zinc/55/44/51/922554451.db2.gz UFOLEHJWDXEDQQ-AWEZNQCLSA-N 1 2 284.319 0.809 20 30 CCEDLO N#CCc1cccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001418998734 922554463 /nfs/dbraw/zinc/55/44/63/922554463.db2.gz UFOLEHJWDXEDQQ-AWEZNQCLSA-N 1 2 284.319 0.809 20 30 CCEDLO Cc1cc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)ncn1 ZINC001419011465 922572125 /nfs/dbraw/zinc/57/21/25/922572125.db2.gz UDDLFBRVBPGZJH-SNVBAGLBSA-N 1 2 273.340 0.493 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001342711683 923062001 /nfs/dbraw/zinc/06/20/01/923062001.db2.gz DVPJZIRZDJQFEC-GHMZBOCLSA-N 1 2 252.318 0.772 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001342723309 923071420 /nfs/dbraw/zinc/07/14/20/923071420.db2.gz XARRSHXTYKIZPU-NWDGAFQWSA-N 1 2 263.341 0.870 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001342723309 923071435 /nfs/dbraw/zinc/07/14/35/923071435.db2.gz XARRSHXTYKIZPU-NWDGAFQWSA-N 1 2 263.341 0.870 20 30 CCEDLO CC(C)(C)[C@H]([NH3+])C(=O)NCCNC(O)=C1N=CC=CC1=O ZINC001346048060 924055200 /nfs/dbraw/zinc/05/52/00/924055200.db2.gz YRFRLQTUKLICRT-KPMWUXBGSA-N 1 2 294.355 0.002 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001421125661 924165815 /nfs/dbraw/zinc/16/58/15/924165815.db2.gz AWTLXNYXIFIAQK-NEPJUHHUSA-N 1 2 294.399 0.355 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346421207 924201074 /nfs/dbraw/zinc/20/10/74/924201074.db2.gz MKXNSDKOQHQPII-LBPRGKRZSA-N 1 2 250.302 0.398 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001479926243 924837695 /nfs/dbraw/zinc/83/76/95/924837695.db2.gz AHLSEIPJLNCBQK-AWEZNQCLSA-N 1 2 294.399 0.225 20 30 CCEDLO CCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001352630731 925609722 /nfs/dbraw/zinc/60/97/22/925609722.db2.gz JBZXHCLASPGAMM-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001354055528 925997781 /nfs/dbraw/zinc/99/77/81/925997781.db2.gz PDSDNIDCEPQFLT-HBYGRHMLSA-N 1 2 288.351 0.491 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC001421773054 926904476 /nfs/dbraw/zinc/90/44/76/926904476.db2.gz CKMQPHFYOIHQOJ-GXTWGEPZSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC001421773054 926904482 /nfs/dbraw/zinc/90/44/82/926904482.db2.gz CKMQPHFYOIHQOJ-GXTWGEPZSA-N 1 2 295.383 0.532 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001361909228 927439714 /nfs/dbraw/zinc/43/97/14/927439714.db2.gz PEBKIHGHTVURQD-YRGRVCCFSA-N 1 2 295.408 0.470 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001424540241 928211772 /nfs/dbraw/zinc/21/17/72/928211772.db2.gz QHSSVGTUJWGIRJ-WDEREUQCSA-N 1 2 289.339 0.006 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001426372699 928826074 /nfs/dbraw/zinc/82/60/74/928826074.db2.gz YDCUNZZCDZGVMB-KPPDAEKUSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001429992448 929546667 /nfs/dbraw/zinc/54/66/67/929546667.db2.gz JFMMXTMNVXHJQA-PWSUYJOCSA-N 1 2 289.339 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444002126 929763887 /nfs/dbraw/zinc/76/38/87/929763887.db2.gz ZSLYTVJQWIQAQC-ZJUUUORDSA-N 1 2 277.328 0.075 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C=O)[nH]c2C)CC1 ZINC001444340338 929844005 /nfs/dbraw/zinc/84/40/05/929844005.db2.gz XTDPCHCESLXOGS-UHFFFAOYSA-N 1 2 273.336 0.917 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C=O)[nH]c2C)CC1 ZINC001444340338 929844011 /nfs/dbraw/zinc/84/40/11/929844011.db2.gz XTDPCHCESLXOGS-UHFFFAOYSA-N 1 2 273.336 0.917 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)[C@@H](C)C#N ZINC001373017011 930041623 /nfs/dbraw/zinc/04/16/23/930041623.db2.gz DUVCLDNMIKSIER-WDEREUQCSA-N 1 2 291.355 0.133 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001373670158 930292970 /nfs/dbraw/zinc/29/29/70/930292970.db2.gz PYIYXQOFRMNOLI-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001373670158 930292972 /nfs/dbraw/zinc/29/29/72/930292972.db2.gz PYIYXQOFRMNOLI-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001447994677 930778551 /nfs/dbraw/zinc/77/85/51/930778551.db2.gz RVPSLBAPQKKMGD-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001447994677 930778558 /nfs/dbraw/zinc/77/85/58/930778558.db2.gz RVPSLBAPQKKMGD-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO CC(C)c1noc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001376709686 931235247 /nfs/dbraw/zinc/23/52/47/931235247.db2.gz XVJMEVMNFNFNQQ-VHSXEESVSA-N 1 2 279.344 0.947 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001377216984 931429553 /nfs/dbraw/zinc/42/95/53/931429553.db2.gz XSSLVGMHPOVWMY-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001377216984 931429556 /nfs/dbraw/zinc/42/95/56/931429556.db2.gz XSSLVGMHPOVWMY-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599558663 361738396 /nfs/dbraw/zinc/73/83/96/361738396.db2.gz NELWDAFSBHDVMY-LBPRGKRZSA-N 1 2 281.337 0.779 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599558663 361738400 /nfs/dbraw/zinc/73/84/00/361738400.db2.gz NELWDAFSBHDVMY-LBPRGKRZSA-N 1 2 281.337 0.779 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCOCCC#N ZINC000599580943 361752090 /nfs/dbraw/zinc/75/20/90/361752090.db2.gz JXKZJTAAWROVOJ-NWDGAFQWSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCOCCC#N ZINC000599580943 361752096 /nfs/dbraw/zinc/75/20/96/361752096.db2.gz JXKZJTAAWROVOJ-NWDGAFQWSA-N 1 2 298.339 0.343 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000599601210 361756889 /nfs/dbraw/zinc/75/68/89/361756889.db2.gz MEVCOYWVJXXYQG-NSHDSACASA-N 1 2 274.280 0.916 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000599601210 361756895 /nfs/dbraw/zinc/75/68/95/361756895.db2.gz MEVCOYWVJXXYQG-NSHDSACASA-N 1 2 274.280 0.916 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641016 361768435 /nfs/dbraw/zinc/76/84/35/361768435.db2.gz GNEUPOVWQBINGK-MNOVXSKESA-N 1 2 287.335 0.447 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641016 361768439 /nfs/dbraw/zinc/76/84/39/361768439.db2.gz GNEUPOVWQBINGK-MNOVXSKESA-N 1 2 287.335 0.447 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599643910 361768887 /nfs/dbraw/zinc/76/88/87/361768887.db2.gz WPPHBHXGEMAUIK-RYUDHWBXSA-N 1 2 271.336 0.807 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599643910 361768898 /nfs/dbraw/zinc/76/88/98/361768898.db2.gz WPPHBHXGEMAUIK-RYUDHWBXSA-N 1 2 271.336 0.807 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)[C@]1(CO)CCOC1 ZINC000600178989 361882605 /nfs/dbraw/zinc/88/26/05/361882605.db2.gz PIDUCZMAVLODGI-NSHDSACASA-N 1 2 253.327 0.598 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@]1(CO)CCOC1 ZINC000600178989 361882612 /nfs/dbraw/zinc/88/26/12/361882612.db2.gz PIDUCZMAVLODGI-NSHDSACASA-N 1 2 253.327 0.598 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000097059218 349626008 /nfs/dbraw/zinc/62/60/08/349626008.db2.gz JFVAGWVUVFPEHQ-GFCCVEGCSA-N 1 2 269.389 0.820 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000097059218 349626010 /nfs/dbraw/zinc/62/60/10/349626010.db2.gz JFVAGWVUVFPEHQ-GFCCVEGCSA-N 1 2 269.389 0.820 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000600421893 361957534 /nfs/dbraw/zinc/95/75/34/361957534.db2.gz PXWDNTOMPYLGDN-LBPRGKRZSA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000600421893 361957535 /nfs/dbraw/zinc/95/75/35/361957535.db2.gz PXWDNTOMPYLGDN-LBPRGKRZSA-N 1 2 277.299 0.758 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601041061 362139522 /nfs/dbraw/zinc/13/95/22/362139522.db2.gz CSRJWWFEGUSZJB-GFCCVEGCSA-N 1 2 277.368 0.907 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601041061 362139527 /nfs/dbraw/zinc/13/95/27/362139527.db2.gz CSRJWWFEGUSZJB-GFCCVEGCSA-N 1 2 277.368 0.907 20 30 CCEDLO Cc1cc(N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(C#N)c[nH+]1 ZINC000601213375 362179728 /nfs/dbraw/zinc/17/97/28/362179728.db2.gz BERFIZIQLFWPAI-GJZGRUSLSA-N 1 2 284.319 0.751 20 30 CCEDLO Cc1cc(N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000601213376 362180094 /nfs/dbraw/zinc/18/00/94/362180094.db2.gz BERFIZIQLFWPAI-HUUCEWRRSA-N 1 2 284.319 0.751 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000329050442 529788016 /nfs/dbraw/zinc/78/80/16/529788016.db2.gz WGEKKTHIHAVIPX-GFCCVEGCSA-N 1 2 289.339 0.074 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000329050442 529788017 /nfs/dbraw/zinc/78/80/17/529788017.db2.gz WGEKKTHIHAVIPX-GFCCVEGCSA-N 1 2 289.339 0.074 20 30 CCEDLO C[N@H+](CC1(C#N)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000331552574 529853285 /nfs/dbraw/zinc/85/32/85/529853285.db2.gz WBERZWLBLDPKLG-JTQLQIEISA-N 1 2 257.359 0.256 20 30 CCEDLO C[N@@H+](CC1(C#N)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000331552574 529853286 /nfs/dbraw/zinc/85/32/86/529853286.db2.gz WBERZWLBLDPKLG-JTQLQIEISA-N 1 2 257.359 0.256 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000116275515 349866575 /nfs/dbraw/zinc/86/65/75/349866575.db2.gz QQFQXEGAZBRZBO-HNNXBMFYSA-N 1 2 284.363 0.911 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601531193 362301673 /nfs/dbraw/zinc/30/16/73/362301673.db2.gz MDGQLMVQNSBNFO-SECBINFHSA-N 1 2 271.346 0.320 20 30 CCEDLO C[C@H](C(=O)N=c1[nH][nH]cc1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000601641062 362337025 /nfs/dbraw/zinc/33/70/25/362337025.db2.gz NBVAIVGRHLRAGH-KXUCPTDWSA-N 1 2 261.329 0.903 20 30 CCEDLO C[C@H](C(=O)N=c1[nH][nH]cc1C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000601641062 362337031 /nfs/dbraw/zinc/33/70/31/362337031.db2.gz NBVAIVGRHLRAGH-KXUCPTDWSA-N 1 2 261.329 0.903 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000601783555 362391017 /nfs/dbraw/zinc/39/10/17/362391017.db2.gz AHQPOBHSQVXEQV-SECBINFHSA-N 1 2 251.286 0.956 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OC ZINC000601788151 362394201 /nfs/dbraw/zinc/39/42/01/362394201.db2.gz RNGNIYWAURWDML-GFCCVEGCSA-N 1 2 279.340 0.977 20 30 CCEDLO CCc1c[nH]c(CC(=O)N(CC#N)CC(=O)OC)[nH+]1 ZINC000602102708 362489595 /nfs/dbraw/zinc/48/95/95/362489595.db2.gz LCGIKBLZQCFUMW-UHFFFAOYSA-N 1 2 264.285 0.040 20 30 CCEDLO Cn1cc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000361551048 232152037 /nfs/dbraw/zinc/15/20/37/232152037.db2.gz UKZVFFPZCDGHHW-KBPBESRZSA-N 1 2 260.341 0.412 20 30 CCEDLO Cn1cc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000361551048 232152041 /nfs/dbraw/zinc/15/20/41/232152041.db2.gz UKZVFFPZCDGHHW-KBPBESRZSA-N 1 2 260.341 0.412 20 30 CCEDLO N#CC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000602326156 362586886 /nfs/dbraw/zinc/58/68/86/362586886.db2.gz IUZCWVBLSYVHTA-SNVBAGLBSA-N 1 2 259.313 0.801 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1ccc(C(F)F)n1 ZINC000602331142 362588952 /nfs/dbraw/zinc/58/89/52/362588952.db2.gz AGMHMIPXKDPAIG-LBPRGKRZSA-N 1 2 285.298 0.781 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(C2CC2)nn1 ZINC000602333663 362589921 /nfs/dbraw/zinc/58/99/21/362589921.db2.gz OJBNUIIBNPLBNP-GFCCVEGCSA-N 1 2 262.317 0.187 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncc2n1CCCC2 ZINC000602336068 362590595 /nfs/dbraw/zinc/59/05/95/362590595.db2.gz XMEMPVBEAHJAQK-AWEZNQCLSA-N 1 2 275.356 0.793 20 30 CCEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602373951 362601036 /nfs/dbraw/zinc/60/10/36/362601036.db2.gz YVDDHXGMKWLVOS-LLVKDONJSA-N 1 2 268.361 0.508 20 30 CCEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602373951 362601039 /nfs/dbraw/zinc/60/10/39/362601039.db2.gz YVDDHXGMKWLVOS-LLVKDONJSA-N 1 2 268.361 0.508 20 30 CCEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)on1 ZINC000602697359 362757407 /nfs/dbraw/zinc/75/74/07/362757407.db2.gz OQSLQTQHHYPHKO-ZDUSSCGKSA-N 1 2 279.296 0.702 20 30 CCEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)on1 ZINC000602697359 362757410 /nfs/dbraw/zinc/75/74/10/362757410.db2.gz OQSLQTQHHYPHKO-ZDUSSCGKSA-N 1 2 279.296 0.702 20 30 CCEDLO Cn1nncc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271051253 136616824 /nfs/dbraw/zinc/61/68/24/136616824.db2.gz VSDLRNVMJBKKRU-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCSC2)c1C#N ZINC000534056617 290803638 /nfs/dbraw/zinc/80/36/38/290803638.db2.gz BUGAEYSWLXBFLG-SECBINFHSA-N 1 2 293.396 0.547 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602801685 362809572 /nfs/dbraw/zinc/80/95/72/362809572.db2.gz YYMKYJVRHKSQJQ-CQSZACIVSA-N 1 2 276.384 0.671 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858082 362843850 /nfs/dbraw/zinc/84/38/50/362843850.db2.gz YSAMQJSTCJSKSI-TXEJJXNPSA-N 1 2 295.387 0.140 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858082 362843856 /nfs/dbraw/zinc/84/38/56/362843856.db2.gz YSAMQJSTCJSKSI-TXEJJXNPSA-N 1 2 295.387 0.140 20 30 CCEDLO CCOCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861860 362847463 /nfs/dbraw/zinc/84/74/63/362847463.db2.gz MGDYDFCDJRXXDA-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861860 362847466 /nfs/dbraw/zinc/84/74/66/362847466.db2.gz MGDYDFCDJRXXDA-BETUJISGSA-N 1 2 282.388 0.057 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915249 137086260 /nfs/dbraw/zinc/08/62/60/137086260.db2.gz IJHBPFYENAFHAW-DGCLKSJQSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915249 137086261 /nfs/dbraw/zinc/08/62/61/137086261.db2.gz IJHBPFYENAFHAW-DGCLKSJQSA-N 1 2 294.376 0.787 20 30 CCEDLO N#Cc1ccncc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343373369 137131137 /nfs/dbraw/zinc/13/11/37/137131137.db2.gz ONMGQMUQODLBRC-ZDUSSCGKSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccncc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343373369 137131138 /nfs/dbraw/zinc/13/11/38/137131138.db2.gz ONMGQMUQODLBRC-ZDUSSCGKSA-N 1 2 286.335 0.546 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000008309628 348011859 /nfs/dbraw/zinc/01/18/59/348011859.db2.gz HDBORUXOXJZYKN-WFASDCNBSA-N 1 2 296.415 0.887 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000008309628 348011861 /nfs/dbraw/zinc/01/18/61/348011861.db2.gz HDBORUXOXJZYKN-WFASDCNBSA-N 1 2 296.415 0.887 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000019424133 348061949 /nfs/dbraw/zinc/06/19/49/348061949.db2.gz BLQJMNNBFIZFNO-UHFFFAOYSA-N 1 2 265.338 0.494 20 30 CCEDLO C#CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000029324987 348111909 /nfs/dbraw/zinc/11/19/09/348111909.db2.gz YJFRZWVQJRSSJZ-UHFFFAOYSA-N 1 2 255.281 0.700 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)ccc1F ZINC000030203788 348117853 /nfs/dbraw/zinc/11/78/53/348117853.db2.gz SQULEWANXKLGMO-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)ccc1F ZINC000030203788 348117855 /nfs/dbraw/zinc/11/78/55/348117855.db2.gz SQULEWANXKLGMO-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000032490043 348133527 /nfs/dbraw/zinc/13/35/27/348133527.db2.gz TXMGYFFINQEXOH-UHFFFAOYSA-N 1 2 292.383 0.711 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)NCC(F)(F)F ZINC000602868019 362851259 /nfs/dbraw/zinc/85/12/59/362851259.db2.gz GXLKQJYQAOZOOZ-NKWVEPMBSA-N 1 2 280.250 0.655 20 30 CCEDLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC000602973934 362915704 /nfs/dbraw/zinc/91/57/04/362915704.db2.gz HWOKKJFKTNHNNN-RWMBFGLXSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC000602973934 362915708 /nfs/dbraw/zinc/91/57/08/362915708.db2.gz HWOKKJFKTNHNNN-RWMBFGLXSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C3CCC2(C(=O)OC)CC3)C1=O ZINC000602986092 362923491 /nfs/dbraw/zinc/92/34/91/362923491.db2.gz UWMVUIXKEXIYGJ-AVERBVTBSA-N 1 2 278.352 0.943 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C3CCC2(C(=O)OC)CC3)C1=O ZINC000602986092 362923495 /nfs/dbraw/zinc/92/34/95/362923495.db2.gz UWMVUIXKEXIYGJ-AVERBVTBSA-N 1 2 278.352 0.943 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C(C)C ZINC000602982881 362922507 /nfs/dbraw/zinc/92/25/07/362922507.db2.gz ZLKTVZXPQHOKRZ-BZPMIXESSA-N 1 2 295.383 0.924 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C(C)C ZINC000602982881 362922510 /nfs/dbraw/zinc/92/25/10/362922510.db2.gz ZLKTVZXPQHOKRZ-BZPMIXESSA-N 1 2 295.383 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)NCC ZINC000052188392 348506578 /nfs/dbraw/zinc/50/65/78/348506578.db2.gz GMSFNEMVJXAVBW-UHFFFAOYSA-N 1 2 253.346 0.255 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)NCC ZINC000052188392 348506580 /nfs/dbraw/zinc/50/65/80/348506580.db2.gz GMSFNEMVJXAVBW-UHFFFAOYSA-N 1 2 253.346 0.255 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000054360182 348554581 /nfs/dbraw/zinc/55/45/81/348554581.db2.gz QWYKCKYCCQYYIG-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC(C)C)cc1OC ZINC000060552811 348646024 /nfs/dbraw/zinc/64/60/24/348646024.db2.gz XUXLMUMSBMFRFS-UHFFFAOYSA-N 1 2 295.339 0.865 20 30 CCEDLO C=CC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000069079882 348831122 /nfs/dbraw/zinc/83/11/22/348831122.db2.gz BTCHVTJOMFUSKY-UHFFFAOYSA-N 1 2 295.408 0.903 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000078803646 349153801 /nfs/dbraw/zinc/15/38/01/349153801.db2.gz FEQPPOOFWISZFG-LLVKDONJSA-N 1 2 298.387 0.187 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000078803646 349153802 /nfs/dbraw/zinc/15/38/02/349153802.db2.gz FEQPPOOFWISZFG-LLVKDONJSA-N 1 2 298.387 0.187 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000081750478 349282457 /nfs/dbraw/zinc/28/24/57/349282457.db2.gz TXHYTOUVJYPSQD-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO C#CC[N@@H+](CCOCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000088506918 349368492 /nfs/dbraw/zinc/36/84/92/349368492.db2.gz QAVHHINKNXGPFV-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C#CC[N@H+](CCOCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000088506918 349368496 /nfs/dbraw/zinc/36/84/96/349368496.db2.gz QAVHHINKNXGPFV-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000089422848 349386115 /nfs/dbraw/zinc/38/61/15/349386115.db2.gz SFGACWPHXCLPEK-UHFFFAOYSA-N 1 2 289.335 0.074 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000104692624 186014951 /nfs/dbraw/zinc/01/49/51/186014951.db2.gz NWLCFMAIHYHQIQ-SECBINFHSA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000104692624 186014953 /nfs/dbraw/zinc/01/49/53/186014953.db2.gz NWLCFMAIHYHQIQ-SECBINFHSA-N 1 2 292.364 0.769 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000127291380 350165456 /nfs/dbraw/zinc/16/54/56/350165456.db2.gz BRCDVUUJZJBQDC-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000129594920 350217355 /nfs/dbraw/zinc/21/73/55/350217355.db2.gz MQAFGNTXJYRGRX-UHFFFAOYSA-N 1 2 298.346 0.803 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000139211432 350445890 /nfs/dbraw/zinc/44/58/90/350445890.db2.gz SCQLQEWECYGSJG-UHFFFAOYSA-N 1 2 289.383 0.685 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000147431345 350469109 /nfs/dbraw/zinc/46/91/09/350469109.db2.gz ZIFYQNFVVKDTBO-GFCCVEGCSA-N 1 2 280.349 0.399 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000147431345 350469112 /nfs/dbraw/zinc/46/91/12/350469112.db2.gz ZIFYQNFVVKDTBO-GFCCVEGCSA-N 1 2 280.349 0.399 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@@H]21 ZINC000152454556 350528811 /nfs/dbraw/zinc/52/88/11/350528811.db2.gz BGRJSWCMBRFDHP-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@@H]21 ZINC000152454556 350528816 /nfs/dbraw/zinc/52/88/16/350528816.db2.gz BGRJSWCMBRFDHP-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000165957947 350794440 /nfs/dbraw/zinc/79/44/40/350794440.db2.gz JTNHCZWAZLERKF-JTQLQIEISA-N 1 2 291.336 0.517 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181178152 351304451 /nfs/dbraw/zinc/30/44/51/351304451.db2.gz AIVNLNKHHJDSFS-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH+]1CCOCC1 ZINC000181202480 351307317 /nfs/dbraw/zinc/30/73/17/351307317.db2.gz WBLMZPZHKPMEQD-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181214175 351307510 /nfs/dbraw/zinc/30/75/10/351307510.db2.gz KZQYABOIXUGRHY-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000185920225 351466243 /nfs/dbraw/zinc/46/62/43/351466243.db2.gz UWZTULRIZLHDMJ-LSDHHAIUSA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000185920225 351466245 /nfs/dbraw/zinc/46/62/45/351466245.db2.gz UWZTULRIZLHDMJ-LSDHHAIUSA-N 1 2 292.383 0.525 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000186001765 351470820 /nfs/dbraw/zinc/47/08/20/351470820.db2.gz KVRCLMXXKHEEHZ-ZDUSSCGKSA-N 1 2 272.352 0.931 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188624773 351612928 /nfs/dbraw/zinc/61/29/28/351612928.db2.gz WJKIAQRXLVKHKN-UHFFFAOYSA-N 1 2 289.335 0.668 20 30 CCEDLO N#CC[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603379773 363099856 /nfs/dbraw/zinc/09/98/56/363099856.db2.gz MFBRBUJLOWPCOB-LBPRGKRZSA-N 1 2 282.369 0.839 20 30 CCEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000271457536 191147976 /nfs/dbraw/zinc/14/79/76/191147976.db2.gz QPOXESNIKSUKLF-UHFFFAOYSA-N 1 2 258.325 0.792 20 30 CCEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000271457536 191147979 /nfs/dbraw/zinc/14/79/79/191147979.db2.gz QPOXESNIKSUKLF-UHFFFAOYSA-N 1 2 258.325 0.792 20 30 CCEDLO C[C@H](C#N)N(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603386693 363102925 /nfs/dbraw/zinc/10/29/25/363102925.db2.gz JHFINZBQJPQZGU-SNVBAGLBSA-N 1 2 268.342 0.589 20 30 CCEDLO COc1cc(C[NH2+]Cc2ncn(C)n2)ccc1C#N ZINC000234933436 352178278 /nfs/dbraw/zinc/17/82/78/352178278.db2.gz XWULXYQTCNJAGL-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@H](CO)C2)ccc1C#N ZINC000234989386 352179621 /nfs/dbraw/zinc/17/96/21/352179621.db2.gz GEWBMHYBUJKYAI-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@H](CO)C2)ccc1C#N ZINC000234989386 352179624 /nfs/dbraw/zinc/17/96/24/352179624.db2.gz GEWBMHYBUJKYAI-ZDUSSCGKSA-N 1 2 262.309 0.760 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000236412082 352194438 /nfs/dbraw/zinc/19/44/38/352194438.db2.gz HJINMLVMFZCPDW-UHFFFAOYSA-N 1 2 277.309 0.128 20 30 CCEDLO N#Cc1c2c(cnc1N1CC3(C1)CC(=O)NCC[NH2+]3)CCC2 ZINC000603415569 363119808 /nfs/dbraw/zinc/11/98/08/363119808.db2.gz LCZDFTQJYUTOQJ-UHFFFAOYSA-N 1 2 297.362 0.110 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000266936410 352734662 /nfs/dbraw/zinc/73/46/62/352734662.db2.gz PVIDECRMDWZDQU-UHFFFAOYSA-N 1 2 274.320 0.907 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000266936410 352734667 /nfs/dbraw/zinc/73/46/67/352734667.db2.gz PVIDECRMDWZDQU-UHFFFAOYSA-N 1 2 274.320 0.907 20 30 CCEDLO C#CCCN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000270658723 352964289 /nfs/dbraw/zinc/96/42/89/352964289.db2.gz VEDHKOWROIICTF-UHFFFAOYSA-N 1 2 271.364 0.926 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154135044 188125468 /nfs/dbraw/zinc/12/54/68/188125468.db2.gz PJBKJHRPVHRZGX-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154135044 188125470 /nfs/dbraw/zinc/12/54/70/188125470.db2.gz PJBKJHRPVHRZGX-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156300703 188254154 /nfs/dbraw/zinc/25/41/54/188254154.db2.gz YMRRZXDCEJZVCN-RDBSUJKOSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156300703 188254155 /nfs/dbraw/zinc/25/41/55/188254155.db2.gz YMRRZXDCEJZVCN-RDBSUJKOSA-N 1 2 290.319 0.200 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)o1 ZINC000286362850 353580914 /nfs/dbraw/zinc/58/09/14/353580914.db2.gz CEVFSYMPOCAJQA-UHFFFAOYSA-N 1 2 280.309 0.716 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCOC1 ZINC000290347901 353722436 /nfs/dbraw/zinc/72/24/36/353722436.db2.gz PVOFNLUUMNROOP-GFCCVEGCSA-N 1 2 295.364 0.448 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCOC1 ZINC000290347901 353722437 /nfs/dbraw/zinc/72/24/37/353722437.db2.gz PVOFNLUUMNROOP-GFCCVEGCSA-N 1 2 295.364 0.448 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2CO)nc1 ZINC000290438629 353727468 /nfs/dbraw/zinc/72/74/68/353727468.db2.gz VLJPCUZPAVTQCQ-LBPRGKRZSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2CO)nc1 ZINC000290438629 353727470 /nfs/dbraw/zinc/72/74/70/353727470.db2.gz VLJPCUZPAVTQCQ-LBPRGKRZSA-N 1 2 295.364 0.184 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc(C#N)nn1 ZINC000618980572 366136375 /nfs/dbraw/zinc/13/63/75/366136375.db2.gz ACQJCIBEAFKELR-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnc(OC)n2)C1=O ZINC000296658398 353954610 /nfs/dbraw/zinc/95/46/10/353954610.db2.gz DYCNSZCJWQYHRS-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnc(OC)n2)C1=O ZINC000296658398 353954612 /nfs/dbraw/zinc/95/46/12/353954612.db2.gz DYCNSZCJWQYHRS-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000299427663 354015120 /nfs/dbraw/zinc/01/51/20/354015120.db2.gz PHIGCDQKAHORFQ-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO CC[C@H](C#N)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308706871 354185367 /nfs/dbraw/zinc/18/53/67/354185367.db2.gz OCAFFDRUVJKEHY-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308706872 354185433 /nfs/dbraw/zinc/18/54/33/354185433.db2.gz OCAFFDRUVJKEHY-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC(=O)NC1CC1)CCO2 ZINC000329907619 354271520 /nfs/dbraw/zinc/27/15/20/354271520.db2.gz LBDZAUBFFHSHQW-IINYFYTJSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC(=O)NC1CC1)CCO2 ZINC000329907619 354271521 /nfs/dbraw/zinc/27/15/21/354271521.db2.gz LBDZAUBFFHSHQW-IINYFYTJSA-N 1 2 297.355 0.899 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331230325 354499244 /nfs/dbraw/zinc/49/92/44/354499244.db2.gz PXQXIPRJZRLRHG-SNVBAGLBSA-N 1 2 277.324 0.598 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331230325 354499247 /nfs/dbraw/zinc/49/92/47/354499247.db2.gz PXQXIPRJZRLRHG-SNVBAGLBSA-N 1 2 277.324 0.598 20 30 CCEDLO C[C@@H](C(=O)N1CCSC[C@@H]1C#N)[NH+]1CCSCC1 ZINC000335959753 355058855 /nfs/dbraw/zinc/05/88/55/355058855.db2.gz YTKCXVMDCMCCLS-QWRGUYRKSA-N 1 2 285.438 0.891 20 30 CCEDLO CC[C@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)OC ZINC000337255496 355291578 /nfs/dbraw/zinc/29/15/78/355291578.db2.gz SWBQFTJVOLFIOQ-NSHDSACASA-N 1 2 281.356 0.822 20 30 CCEDLO CC[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)OC ZINC000337255496 355291579 /nfs/dbraw/zinc/29/15/79/355291579.db2.gz SWBQFTJVOLFIOQ-NSHDSACASA-N 1 2 281.356 0.822 20 30 CCEDLO CC(C)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000338882780 355444257 /nfs/dbraw/zinc/44/42/57/355444257.db2.gz ITAPFIWTWHKUCU-ONGXEEELSA-N 1 2 287.327 0.947 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000346252377 355869436 /nfs/dbraw/zinc/86/94/36/355869436.db2.gz ZPXDVPKXOGTUCT-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO CS(=O)(=O)C1(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352862914 356099567 /nfs/dbraw/zinc/09/95/67/356099567.db2.gz QRNBWWQXPJJCRY-UHFFFAOYSA-N 1 2 271.367 0.682 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000353107424 356157897 /nfs/dbraw/zinc/15/78/97/356157897.db2.gz CZRXEIVDMIVWAE-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000353107424 356157901 /nfs/dbraw/zinc/15/79/01/356157901.db2.gz CZRXEIVDMIVWAE-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC)C2CCOCC2)C1=O ZINC000619620610 366303002 /nfs/dbraw/zinc/30/30/02/366303002.db2.gz ZZEJZDOEDULJPV-ZDUSSCGKSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC)C2CCOCC2)C1=O ZINC000619620610 366303005 /nfs/dbraw/zinc/30/30/05/366303005.db2.gz ZZEJZDOEDULJPV-ZDUSSCGKSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609671887 363514669 /nfs/dbraw/zinc/51/46/69/363514669.db2.gz OMEDSUGHRNSCBL-UHFFFAOYSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671887 363514675 /nfs/dbraw/zinc/51/46/75/363514675.db2.gz OMEDSUGHRNSCBL-UHFFFAOYSA-N 1 2 283.372 0.888 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cccnc2)CC1 ZINC000619719957 366340156 /nfs/dbraw/zinc/34/01/56/366340156.db2.gz PCHFIKPHCWXFNF-CQSZACIVSA-N 1 2 275.352 0.927 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000619718007 366336066 /nfs/dbraw/zinc/33/60/66/366336066.db2.gz LOGJEIPXVDFGMA-QWRGUYRKSA-N 1 2 267.325 0.989 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000361899455 357050894 /nfs/dbraw/zinc/05/08/94/357050894.db2.gz ISFCEXDZNWLIPC-CYBMUJFWSA-N 1 2 288.413 0.546 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[nH]1 ZINC000610560451 363575135 /nfs/dbraw/zinc/57/51/35/363575135.db2.gz IHRGIBANAVYUJS-SNVBAGLBSA-N 1 2 299.338 0.848 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366800191 357240851 /nfs/dbraw/zinc/24/08/51/357240851.db2.gz JLIICRNEYPVXIQ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366800191 357240853 /nfs/dbraw/zinc/24/08/53/357240853.db2.gz JLIICRNEYPVXIQ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H](C)[NH+]1CCOCC1 ZINC000448919106 236008503 /nfs/dbraw/zinc/00/85/03/236008503.db2.gz YBGLKUYETUUZSK-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCN4C(=O)OC[C@H]4C3)n2c1 ZINC000378347238 357675178 /nfs/dbraw/zinc/67/51/78/357675178.db2.gz UMPKFAOIKXDUIY-CYBMUJFWSA-N 1 2 297.318 0.842 20 30 CCEDLO CC1(C#N)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000408157890 357945336 /nfs/dbraw/zinc/94/53/36/357945336.db2.gz HMCQQXDFITVLDL-UHFFFAOYSA-N 1 2 264.329 0.600 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000285784445 291128773 /nfs/dbraw/zinc/12/87/73/291128773.db2.gz SUDHUJCBDKBGQF-FZMZJTMJSA-N 1 2 288.351 0.822 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000456202180 236367544 /nfs/dbraw/zinc/36/75/44/236367544.db2.gz JQTJGTCOIFBTMH-TXEJJXNPSA-N 1 2 275.308 0.744 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000456202180 236367548 /nfs/dbraw/zinc/36/75/48/236367548.db2.gz JQTJGTCOIFBTMH-TXEJJXNPSA-N 1 2 275.308 0.744 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000491620923 358295223 /nfs/dbraw/zinc/29/52/23/358295223.db2.gz GJOHIFUOLRVGHG-HZSPNIEDSA-N 1 2 279.384 0.807 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000491620923 358295226 /nfs/dbraw/zinc/29/52/26/358295226.db2.gz GJOHIFUOLRVGHG-HZSPNIEDSA-N 1 2 279.384 0.807 20 30 CCEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000610729560 363604261 /nfs/dbraw/zinc/60/42/61/363604261.db2.gz MRTODHMDHVRGKY-GFCCVEGCSA-N 1 2 261.329 0.505 20 30 CCEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000610729560 363604266 /nfs/dbraw/zinc/60/42/66/363604266.db2.gz MRTODHMDHVRGKY-GFCCVEGCSA-N 1 2 261.329 0.505 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610728881 363604794 /nfs/dbraw/zinc/60/47/94/363604794.db2.gz ZRRLMHPRVJJWGN-BETUJISGSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610728881 363604800 /nfs/dbraw/zinc/60/48/00/363604800.db2.gz ZRRLMHPRVJJWGN-BETUJISGSA-N 1 2 250.273 0.625 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000684762469 545733961 /nfs/dbraw/zinc/73/39/61/545733961.db2.gz DWCUHUKTDIXYIZ-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000684762469 545733963 /nfs/dbraw/zinc/73/39/63/545733963.db2.gz DWCUHUKTDIXYIZ-GHMZBOCLSA-N 1 2 262.375 0.201 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[nH]c1C#N ZINC000571044904 358907379 /nfs/dbraw/zinc/90/73/79/358907379.db2.gz LAYXCXRUBPCZKM-IUCAKERBSA-N 1 2 272.312 0.999 20 30 CCEDLO N#Cc1cnn2cc(C[NH2+]CC3(C#N)CC3)cnc12 ZINC000573120627 358940597 /nfs/dbraw/zinc/94/05/97/358940597.db2.gz XIPQUDWXCILCBZ-UHFFFAOYSA-N 1 2 252.281 0.994 20 30 CCEDLO C=CCCCC[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000574128776 359030382 /nfs/dbraw/zinc/03/03/82/359030382.db2.gz DOMPOTFTYVDMAV-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCCC[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000574128776 359030389 /nfs/dbraw/zinc/03/03/89/359030389.db2.gz DOMPOTFTYVDMAV-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCCCC#N ZINC000580844023 359101771 /nfs/dbraw/zinc/10/17/71/359101771.db2.gz KAMFHDBKVAALOF-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCCC#N ZINC000580844023 359101775 /nfs/dbraw/zinc/10/17/75/359101775.db2.gz KAMFHDBKVAALOF-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000610900047 363630458 /nfs/dbraw/zinc/63/04/58/363630458.db2.gz FQZGOXOHHMYTNA-NWDGAFQWSA-N 1 2 250.346 0.041 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)ccn1 ZINC000610994420 363645351 /nfs/dbraw/zinc/64/53/51/363645351.db2.gz CHAZGRVFKMHIQP-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)ccn1 ZINC000610994420 363645356 /nfs/dbraw/zinc/64/53/56/363645356.db2.gz CHAZGRVFKMHIQP-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000587056266 359298559 /nfs/dbraw/zinc/29/85/59/359298559.db2.gz GJNGVWJBGPHVGN-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO N#CCCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000588162134 359316287 /nfs/dbraw/zinc/31/62/87/359316287.db2.gz RWIBYRLVDCYKHU-CYBMUJFWSA-N 1 2 264.373 0.576 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000611072278 363654699 /nfs/dbraw/zinc/65/46/99/363654699.db2.gz SXIFOCHKEHNIIV-UHFFFAOYSA-N 1 2 292.339 0.534 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000611072278 363654702 /nfs/dbraw/zinc/65/47/02/363654702.db2.gz SXIFOCHKEHNIIV-UHFFFAOYSA-N 1 2 292.339 0.534 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1(C#N)CC1 ZINC000590356031 359442653 /nfs/dbraw/zinc/44/26/53/359442653.db2.gz KZINQIQWDZQVKU-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000591048168 359549672 /nfs/dbraw/zinc/54/96/72/359549672.db2.gz FAPHAZKNOGMUKW-CJNGLKHVSA-N 1 2 288.347 0.843 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000591048168 359549680 /nfs/dbraw/zinc/54/96/80/359549680.db2.gz FAPHAZKNOGMUKW-CJNGLKHVSA-N 1 2 288.347 0.843 20 30 CCEDLO CNC(=O)[C@]1(COC)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000591627251 359615277 /nfs/dbraw/zinc/61/52/77/359615277.db2.gz AAFOYBKMWXFODC-CQSZACIVSA-N 1 2 277.324 0.878 20 30 CCEDLO CNC(=O)[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000591627251 359615281 /nfs/dbraw/zinc/61/52/81/359615281.db2.gz AAFOYBKMWXFODC-CQSZACIVSA-N 1 2 277.324 0.878 20 30 CCEDLO Cc1cc(N2CCC(NS(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000591818019 359662781 /nfs/dbraw/zinc/66/27/81/359662781.db2.gz ZVXUSTQQKVCOMX-UHFFFAOYSA-N 1 2 294.380 0.780 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297376758 200168089 /nfs/dbraw/zinc/16/80/89/200168089.db2.gz ADWCXWMKRFEUGY-UHFFFAOYSA-N 1 2 274.324 0.426 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000592149904 359768629 /nfs/dbraw/zinc/76/86/29/359768629.db2.gz ZJSXSPILWBNSOV-TZMCWYRMSA-N 1 2 259.309 0.563 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000592149904 359768633 /nfs/dbraw/zinc/76/86/33/359768633.db2.gz ZJSXSPILWBNSOV-TZMCWYRMSA-N 1 2 259.309 0.563 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152436 359770148 /nfs/dbraw/zinc/77/01/48/359770148.db2.gz XTDBHTTVCDJEKE-MWLCHTKSSA-N 1 2 291.273 0.500 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152436 359770152 /nfs/dbraw/zinc/77/01/52/359770152.db2.gz XTDBHTTVCDJEKE-MWLCHTKSSA-N 1 2 291.273 0.500 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592152570 359770275 /nfs/dbraw/zinc/77/02/75/359770275.db2.gz XZAYBFQSNGGTRA-MRXNPFEDSA-N 1 2 298.346 0.525 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592152570 359770280 /nfs/dbraw/zinc/77/02/80/359770280.db2.gz XZAYBFQSNGGTRA-MRXNPFEDSA-N 1 2 298.346 0.525 20 30 CCEDLO CCCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174544 363670882 /nfs/dbraw/zinc/67/08/82/363670882.db2.gz GZUGQDOZNPOTLS-LBPRGKRZSA-N 1 2 252.362 0.432 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175413 363672356 /nfs/dbraw/zinc/67/23/56/363672356.db2.gz CCSAMAHSQXWVNZ-CYBMUJFWSA-N 1 2 266.389 0.678 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000593056462 360022255 /nfs/dbraw/zinc/02/22/55/360022255.db2.gz JXOCPIUFUQZZQB-NSHDSACASA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000593056462 360022259 /nfs/dbraw/zinc/02/22/59/360022259.db2.gz JXOCPIUFUQZZQB-NSHDSACASA-N 1 2 283.372 0.888 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593103099 360039941 /nfs/dbraw/zinc/03/99/41/360039941.db2.gz ABRCFURPFSNWFF-PWSUYJOCSA-N 1 2 250.302 0.879 20 30 CCEDLO N#C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000593453605 360092504 /nfs/dbraw/zinc/09/25/04/360092504.db2.gz ZYUKVOYOCVYHFR-GFCCVEGCSA-N 1 2 274.324 0.513 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000593388232 360074790 /nfs/dbraw/zinc/07/47/90/360074790.db2.gz FORPNYAJKABSHH-CYBMUJFWSA-N 1 2 298.387 0.136 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593530354 360108356 /nfs/dbraw/zinc/10/83/56/360108356.db2.gz JLNUDBOMOZDYAS-AWEZNQCLSA-N 1 2 276.340 0.807 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)nn1 ZINC000594015311 360235556 /nfs/dbraw/zinc/23/55/56/360235556.db2.gz IYHQUCXRXRWTGT-AAEUAGOBSA-N 1 2 294.355 0.210 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)nn1 ZINC000594015311 360235560 /nfs/dbraw/zinc/23/55/60/360235560.db2.gz IYHQUCXRXRWTGT-AAEUAGOBSA-N 1 2 294.355 0.210 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)nn1 ZINC000594015313 360236359 /nfs/dbraw/zinc/23/63/59/360236359.db2.gz IYHQUCXRXRWTGT-WCQYABFASA-N 1 2 294.355 0.210 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)nn1 ZINC000594015313 360236360 /nfs/dbraw/zinc/23/63/60/360236360.db2.gz IYHQUCXRXRWTGT-WCQYABFASA-N 1 2 294.355 0.210 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649378 360348340 /nfs/dbraw/zinc/34/83/40/360348340.db2.gz MCIFIQRJSDUPKL-UHFFFAOYSA-N 1 2 272.268 0.683 20 30 CCEDLO N#CC1(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000611430656 363717056 /nfs/dbraw/zinc/71/70/56/363717056.db2.gz WKEWSUGPGAUZDG-UHFFFAOYSA-N 1 2 285.351 0.606 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000595291344 360483887 /nfs/dbraw/zinc/48/38/87/360483887.db2.gz QWMKHENCFXCGEA-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000595301552 360488619 /nfs/dbraw/zinc/48/86/19/360488619.db2.gz LEFFWSQNGSVNQO-MNOVXSKESA-N 1 2 267.329 0.242 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000595301552 360488620 /nfs/dbraw/zinc/48/86/20/360488620.db2.gz LEFFWSQNGSVNQO-MNOVXSKESA-N 1 2 267.329 0.242 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000595302996 360488633 /nfs/dbraw/zinc/48/86/33/360488633.db2.gz ZIDZMVFEZUMUAU-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000595302996 360488634 /nfs/dbraw/zinc/48/86/34/360488634.db2.gz ZIDZMVFEZUMUAU-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@H+](CCC#N)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000595331846 360497771 /nfs/dbraw/zinc/49/77/71/360497771.db2.gz FPIZUMOHNWRTFP-LBPRGKRZSA-N 1 2 281.356 0.776 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000595331846 360497778 /nfs/dbraw/zinc/49/77/78/360497778.db2.gz FPIZUMOHNWRTFP-LBPRGKRZSA-N 1 2 281.356 0.776 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H](C#N)c1ccccc1 ZINC000595342688 360501250 /nfs/dbraw/zinc/50/12/50/360501250.db2.gz GCJOJBJYMHJICW-JKSUJKDBSA-N 1 2 289.379 0.876 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000595666544 360613735 /nfs/dbraw/zinc/61/37/35/360613735.db2.gz BGJUAJNTTMXWEH-QMMMGPOBSA-N 1 2 268.342 0.806 20 30 CCEDLO C[C@@H]1C[NH+](CCN2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 ZINC000595558043 360580362 /nfs/dbraw/zinc/58/03/62/360580362.db2.gz NJBYTPVNYQZJFZ-MGPQQGTHSA-N 1 2 267.373 0.446 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607269 360595786 /nfs/dbraw/zinc/59/57/86/360595786.db2.gz KHCNPNZBBCIXTH-QWRGUYRKSA-N 1 2 250.302 0.328 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607269 360595788 /nfs/dbraw/zinc/59/57/88/360595788.db2.gz KHCNPNZBBCIXTH-QWRGUYRKSA-N 1 2 250.302 0.328 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000595731923 360633074 /nfs/dbraw/zinc/63/30/74/360633074.db2.gz IUPXJUKJTZXGRD-UHFFFAOYSA-N 1 2 291.307 0.786 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000595800051 360657527 /nfs/dbraw/zinc/65/75/27/360657527.db2.gz QAHUAJYAZSEAJZ-UHFFFAOYSA-N 1 2 289.335 0.173 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000595800051 360657533 /nfs/dbraw/zinc/65/75/33/360657533.db2.gz QAHUAJYAZSEAJZ-UHFFFAOYSA-N 1 2 289.335 0.173 20 30 CCEDLO C[C@@]1(C#N)CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000595839816 360675869 /nfs/dbraw/zinc/67/58/69/360675869.db2.gz LWEXXYAFIBEYKE-AWEZNQCLSA-N 1 2 271.324 0.732 20 30 CCEDLO C[C@@]1(C#N)CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000595839816 360675872 /nfs/dbraw/zinc/67/58/72/360675872.db2.gz LWEXXYAFIBEYKE-AWEZNQCLSA-N 1 2 271.324 0.732 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840691 360675897 /nfs/dbraw/zinc/67/58/97/360675897.db2.gz CLNRQVPTUCZQSC-SMDDNHRTSA-N 1 2 279.340 0.386 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840691 360675899 /nfs/dbraw/zinc/67/58/99/360675899.db2.gz CLNRQVPTUCZQSC-SMDDNHRTSA-N 1 2 279.340 0.386 20 30 CCEDLO NC(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000178674182 189136451 /nfs/dbraw/zinc/13/64/51/189136451.db2.gz WQGVDGKWVJSHIC-UHFFFAOYSA-N 1 2 275.327 0.280 20 30 CCEDLO N#Cc1cnnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000596173458 360822524 /nfs/dbraw/zinc/82/25/24/360822524.db2.gz WKCRKLKOCIEQPI-GFCCVEGCSA-N 1 2 266.308 0.856 20 30 CCEDLO C=CCCSCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000597167936 361021862 /nfs/dbraw/zinc/02/18/62/361021862.db2.gz BUQHMBVQEANIJL-UHFFFAOYSA-N 1 2 296.396 0.425 20 30 CCEDLO CN(Cc1cn(C)nn1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000597212204 361032859 /nfs/dbraw/zinc/03/28/59/361032859.db2.gz XZYYGQJQXWTURA-UHFFFAOYSA-N 1 2 281.323 0.966 20 30 CCEDLO N#CCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597627765 361167017 /nfs/dbraw/zinc/16/70/17/361167017.db2.gz XRUGGLSMBKDZIL-CYBMUJFWSA-N 1 2 264.373 0.576 20 30 CCEDLO N#CCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597627765 361167019 /nfs/dbraw/zinc/16/70/19/361167019.db2.gz XRUGGLSMBKDZIL-CYBMUJFWSA-N 1 2 264.373 0.576 20 30 CCEDLO N#C[C@@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597738988 361220514 /nfs/dbraw/zinc/22/05/14/361220514.db2.gz SMNZAQNHRBCOSD-QWHCGFSZSA-N 1 2 284.319 0.932 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)n2)[C@@H](C)CO1 ZINC000597997622 361304329 /nfs/dbraw/zinc/30/43/29/361304329.db2.gz SYKVFIODUDNINN-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)n2)[C@@H](C)CO1 ZINC000597997622 361304334 /nfs/dbraw/zinc/30/43/34/361304334.db2.gz SYKVFIODUDNINN-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO COCC#CC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621355750 366744227 /nfs/dbraw/zinc/74/42/27/366744227.db2.gz WMCIRAAMGBCJRM-CQSZACIVSA-N 1 2 279.361 0.896 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[NH+]1CCOCC1 ZINC000611613809 363749508 /nfs/dbraw/zinc/74/95/08/363749508.db2.gz NINUPGLCLFZHDS-UHFFFAOYSA-N 1 2 254.334 0.168 20 30 CCEDLO C=C[C@@H](O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611794506 363784364 /nfs/dbraw/zinc/78/43/64/363784364.db2.gz IUDZMPSMWWWYFX-GFCCVEGCSA-N 1 2 259.309 0.848 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC000598700816 361490475 /nfs/dbraw/zinc/49/04/75/361490475.db2.gz FYHUAMNLUJNNIZ-ZDUSSCGKSA-N 1 2 279.384 0.888 20 30 CCEDLO COC(=O)C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598593357 361454016 /nfs/dbraw/zinc/45/40/16/361454016.db2.gz RLDBJEMMDLNLCO-LLVKDONJSA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598593357 361454021 /nfs/dbraw/zinc/45/40/21/361454021.db2.gz RLDBJEMMDLNLCO-LLVKDONJSA-N 1 2 254.330 0.925 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000598600655 361456897 /nfs/dbraw/zinc/45/68/97/361456897.db2.gz PHFXQCPHMRYHOF-NXEZZACHSA-N 1 2 271.386 0.190 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000598600655 361456899 /nfs/dbraw/zinc/45/68/99/361456899.db2.gz PHFXQCPHMRYHOF-NXEZZACHSA-N 1 2 271.386 0.190 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000599193549 361607417 /nfs/dbraw/zinc/60/74/17/361607417.db2.gz LJASFYZJDBSYQP-YPMHNXCESA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000599193549 361607422 /nfs/dbraw/zinc/60/74/22/361607422.db2.gz LJASFYZJDBSYQP-YPMHNXCESA-N 1 2 266.345 0.262 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000612901542 364037843 /nfs/dbraw/zinc/03/78/43/364037843.db2.gz GPFKBWRHCDKGQS-FZMZJTMJSA-N 1 2 261.325 0.714 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000564928187 291317550 /nfs/dbraw/zinc/31/75/50/291317550.db2.gz JTLLURWUQAQMMR-UHFFFAOYSA-N 1 2 280.353 0.626 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000564928187 291317552 /nfs/dbraw/zinc/31/75/52/291317552.db2.gz JTLLURWUQAQMMR-UHFFFAOYSA-N 1 2 280.353 0.626 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615551719 365004901 /nfs/dbraw/zinc/00/49/01/365004901.db2.gz ZFGNKZIKPJAESA-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615768995 365083959 /nfs/dbraw/zinc/08/39/59/365083959.db2.gz HRJJCGZTALYKDM-MFKMUULPSA-N 1 2 262.313 0.490 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776591 365086849 /nfs/dbraw/zinc/08/68/49/365086849.db2.gz PTKBUBFIRGTYEG-LLVKDONJSA-N 1 2 280.372 0.347 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000615776591 365086855 /nfs/dbraw/zinc/08/68/55/365086855.db2.gz PTKBUBFIRGTYEG-LLVKDONJSA-N 1 2 280.372 0.347 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565157453 291348610 /nfs/dbraw/zinc/34/86/10/291348610.db2.gz NEZKNTPRNOJMHS-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565157453 291348613 /nfs/dbraw/zinc/34/86/13/291348613.db2.gz NEZKNTPRNOJMHS-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697244 365430654 /nfs/dbraw/zinc/43/06/54/365430654.db2.gz WCUULMLMSHCQEF-CIQGVGRVSA-N 1 2 270.373 0.537 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697244 365430663 /nfs/dbraw/zinc/43/06/63/365430663.db2.gz WCUULMLMSHCQEF-CIQGVGRVSA-N 1 2 270.373 0.537 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626171479 368473126 /nfs/dbraw/zinc/47/31/26/368473126.db2.gz CFHCPPXQWINOJD-YPMHNXCESA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626171479 368473128 /nfs/dbraw/zinc/47/31/28/368473128.db2.gz CFHCPPXQWINOJD-YPMHNXCESA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCC[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632183618 370910388 /nfs/dbraw/zinc/91/03/88/370910388.db2.gz ALFVCCCOSFWUSG-OLZOCXBDSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCC[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632183618 370910395 /nfs/dbraw/zinc/91/03/95/370910395.db2.gz ALFVCCCOSFWUSG-OLZOCXBDSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)nn1 ZINC000627373740 368973149 /nfs/dbraw/zinc/97/31/49/368973149.db2.gz ACNYMJYCWVMRFX-UHFFFAOYSA-N 1 2 258.285 0.386 20 30 CCEDLO C=CCn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)nn1 ZINC000627373740 368973153 /nfs/dbraw/zinc/97/31/53/368973153.db2.gz ACNYMJYCWVMRFX-UHFFFAOYSA-N 1 2 258.285 0.386 20 30 CCEDLO C=CC[C@H]1CC[N@@H+](Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000628406575 369261065 /nfs/dbraw/zinc/26/10/65/369261065.db2.gz MOAGULJBBHHXBP-LBPRGKRZSA-N 1 2 298.412 0.936 20 30 CCEDLO C=CC[C@H]1CC[N@H+](Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000628406575 369261069 /nfs/dbraw/zinc/26/10/69/369261069.db2.gz MOAGULJBBHHXBP-LBPRGKRZSA-N 1 2 298.412 0.936 20 30 CCEDLO C=C[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632285651 370963582 /nfs/dbraw/zinc/96/35/82/370963582.db2.gz YLFFWPCJOCWFJR-QWHCGFSZSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C[C@H]1CCCCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632285651 370963585 /nfs/dbraw/zinc/96/35/85/370963585.db2.gz YLFFWPCJOCWFJR-QWHCGFSZSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C(C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632409958 371044435 /nfs/dbraw/zinc/04/44/35/371044435.db2.gz PWIOSROUJADMFF-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632409958 371044442 /nfs/dbraw/zinc/04/44/42/371044442.db2.gz PWIOSROUJADMFF-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633346912 371496035 /nfs/dbraw/zinc/49/60/35/371496035.db2.gz QFPLTOYQWMPNCP-UHFFFAOYSA-N 1 2 289.383 0.922 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637231737 374032060 /nfs/dbraw/zinc/03/20/60/374032060.db2.gz NTXGFYQKNBXKSH-GVXVVHGQSA-N 1 2 276.340 0.698 20 30 CCEDLO C=CCOCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000656549801 412824824 /nfs/dbraw/zinc/82/48/24/412824824.db2.gz HVJIQDQBJLZKNN-UHFFFAOYSA-N 1 2 271.361 0.211 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638408280 375004581 /nfs/dbraw/zinc/00/45/81/375004581.db2.gz GBJNWVQOOJURPI-OLZOCXBDSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCC1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCOCC1 ZINC000638413669 375010898 /nfs/dbraw/zinc/01/08/98/375010898.db2.gz CVRXPLLDJAZMTD-GFCCVEGCSA-N 1 2 295.383 0.048 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C3CC3)no2)nn1 ZINC000640937431 376627525 /nfs/dbraw/zinc/62/75/25/376627525.db2.gz OGQLISYSCOFTQV-UHFFFAOYSA-N 1 2 272.312 0.700 20 30 CCEDLO C=CCN1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1=O ZINC000641108819 376788687 /nfs/dbraw/zinc/78/86/87/376788687.db2.gz MVZBZJMXVPKDOB-CYBMUJFWSA-N 1 2 273.340 0.350 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(COC)no2)nn1 ZINC000641123655 376797862 /nfs/dbraw/zinc/79/78/62/376797862.db2.gz WXFCWOTZVWGNSY-SNVBAGLBSA-N 1 2 290.327 0.530 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(N(C)C)nc2)nn1 ZINC000641177231 376846501 /nfs/dbraw/zinc/84/65/01/376846501.db2.gz GJDJWSFEWXNWSP-UHFFFAOYSA-N 1 2 284.367 0.900 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000081555826 284611676 /nfs/dbraw/zinc/61/16/76/284611676.db2.gz CENMHZFTPXMCLN-UHFFFAOYSA-N 1 2 257.297 0.913 20 30 CCEDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459785848 249061144 /nfs/dbraw/zinc/06/11/44/249061144.db2.gz AIEQNLYLSDBGMD-WCQYABFASA-N 1 2 277.280 0.970 20 30 CCEDLO C[C@@H](Nc1ncncc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000514724437 249100807 /nfs/dbraw/zinc/10/08/07/249100807.db2.gz KZHHLXHLSXBUBY-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])c(F)c1 ZINC000572721130 291899190 /nfs/dbraw/zinc/89/91/90/291899190.db2.gz SFSKPIGAGZTDQW-UHFFFAOYSA-N 1 2 293.270 0.570 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329234273 227370855 /nfs/dbraw/zinc/37/08/55/227370855.db2.gz HQBDLLALMKQGDY-NSHDSACASA-N 1 2 297.380 0.963 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000575030652 335057061 /nfs/dbraw/zinc/05/70/61/335057061.db2.gz OMJLCFHDXYDEAL-UHFFFAOYSA-N 1 2 289.320 0.354 20 30 CCEDLO C#C[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000185374590 388802400 /nfs/dbraw/zinc/80/24/00/388802400.db2.gz CWZQUXUAGWSXRO-ZDUSSCGKSA-N 1 2 272.352 0.342 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284285255 388774296 /nfs/dbraw/zinc/77/42/96/388774296.db2.gz NPZXPQPLFSQDKO-WDEREUQCSA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284285255 388774300 /nfs/dbraw/zinc/77/43/00/388774300.db2.gz NPZXPQPLFSQDKO-WDEREUQCSA-N 1 2 265.361 0.861 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000186800187 388852419 /nfs/dbraw/zinc/85/24/19/388852419.db2.gz IGVYMAPINDUEDO-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C#CCC(CC#C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000289486788 388870624 /nfs/dbraw/zinc/87/06/24/388870624.db2.gz YEQVBWXLKFHCNP-ZBFHGGJFSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCONC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000291375144 388921997 /nfs/dbraw/zinc/92/19/97/388921997.db2.gz ZTISPLYMAQCUTB-OAHLLOKOSA-N 1 2 288.347 0.959 20 30 CCEDLO C#CCONC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000291375144 388921998 /nfs/dbraw/zinc/92/19/98/388921998.db2.gz ZTISPLYMAQCUTB-OAHLLOKOSA-N 1 2 288.347 0.959 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000054988749 388930288 /nfs/dbraw/zinc/93/02/88/388930288.db2.gz FNNVELUCTZNYSH-CYBMUJFWSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000054988749 388930290 /nfs/dbraw/zinc/93/02/90/388930290.db2.gz FNNVELUCTZNYSH-CYBMUJFWSA-N 1 2 292.383 0.492 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000292054202 388944138 /nfs/dbraw/zinc/94/41/38/388944138.db2.gz BLGAFBGQMFXDSS-VXGBXAGGSA-N 1 2 273.292 0.722 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000292054202 388944142 /nfs/dbraw/zinc/94/41/42/388944142.db2.gz BLGAFBGQMFXDSS-VXGBXAGGSA-N 1 2 273.292 0.722 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189844988 388974476 /nfs/dbraw/zinc/97/44/76/388974476.db2.gz FEYCLEDRTHDXGL-LLVKDONJSA-N 1 2 253.346 0.135 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189844988 388974481 /nfs/dbraw/zinc/97/44/81/388974481.db2.gz FEYCLEDRTHDXGL-LLVKDONJSA-N 1 2 253.346 0.135 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NCC(=O)OC(C)(C)C ZINC000293336362 388981483 /nfs/dbraw/zinc/98/14/83/388981483.db2.gz YJUBROAKEDNICK-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C ZINC000293336362 388981486 /nfs/dbraw/zinc/98/14/86/388981486.db2.gz YJUBROAKEDNICK-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000293346397 388981623 /nfs/dbraw/zinc/98/16/23/388981623.db2.gz YZDKAPZVVLPXCY-HNNXBMFYSA-N 1 2 287.363 0.545 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000293346397 388981626 /nfs/dbraw/zinc/98/16/26/388981626.db2.gz YZDKAPZVVLPXCY-HNNXBMFYSA-N 1 2 287.363 0.545 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000293319281 388982071 /nfs/dbraw/zinc/98/20/71/388982071.db2.gz XLZGUKHGXFJLIX-UHFFFAOYSA-N 1 2 299.330 0.806 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000293319281 388982074 /nfs/dbraw/zinc/98/20/74/388982074.db2.gz XLZGUKHGXFJLIX-UHFFFAOYSA-N 1 2 299.330 0.806 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000354279189 389018946 /nfs/dbraw/zinc/01/89/46/389018946.db2.gz MUIHUWGEGQKICA-GDBMZVCRSA-N 1 2 295.427 0.552 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000336881124 389027267 /nfs/dbraw/zinc/02/72/67/389027267.db2.gz ARTFMLUWUZFUFW-LBPRGKRZSA-N 1 2 299.400 0.589 20 30 CCEDLO C[C@@H](CNC(=O)c1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000192634088 389046565 /nfs/dbraw/zinc/04/65/65/389046565.db2.gz CTLFDCZDQOIARW-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)CS(C)(=O)=O)C1=O ZINC000337199274 389053492 /nfs/dbraw/zinc/05/34/92/389053492.db2.gz YQYJRSYIUREBGC-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)CS(C)(=O)=O)C1=O ZINC000337199274 389053495 /nfs/dbraw/zinc/05/34/95/389053495.db2.gz YQYJRSYIUREBGC-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337405098 389060625 /nfs/dbraw/zinc/06/06/25/389060625.db2.gz MILQLRMAUXXPOB-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337405098 389060627 /nfs/dbraw/zinc/06/06/27/389060627.db2.gz MILQLRMAUXXPOB-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000337586378 389064191 /nfs/dbraw/zinc/06/41/91/389064191.db2.gz SFMCEBARDAILDD-UHFFFAOYSA-N 1 2 284.363 0.982 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2nnnn2C2CC2)cs1 ZINC000121047449 389145955 /nfs/dbraw/zinc/14/59/55/389145955.db2.gz XGVMMQHKSJDLBZ-UHFFFAOYSA-N 1 2 293.356 0.804 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCC)[C@@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321891 389108597 /nfs/dbraw/zinc/10/85/97/389108597.db2.gz MLDGFLHUCUJDKV-NWDGAFQWSA-N 1 2 293.367 0.243 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCC)[C@@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321891 389108598 /nfs/dbraw/zinc/10/85/98/389108598.db2.gz MLDGFLHUCUJDKV-NWDGAFQWSA-N 1 2 293.367 0.243 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161855073 262319693 /nfs/dbraw/zinc/31/96/93/262319693.db2.gz WNUIJGRPEPOTMR-LLVKDONJSA-N 1 2 263.366 0.928 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCSC[C@@H]1C#N ZINC000339170898 389126720 /nfs/dbraw/zinc/12/67/20/389126720.db2.gz RMCOKQCYJKVPLQ-NSHDSACASA-N 1 2 264.354 0.820 20 30 CCEDLO O=C(NC[C@H](O)C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328750489 389135261 /nfs/dbraw/zinc/13/52/61/389135261.db2.gz RFZVJSKETKLZRC-STQMWFEESA-N 1 2 290.367 0.935 20 30 CCEDLO COCC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000360595038 389200345 /nfs/dbraw/zinc/20/03/45/389200345.db2.gz JNEXFQNQXGDPAA-UHFFFAOYSA-N 1 2 289.401 0.274 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342223677 389201144 /nfs/dbraw/zinc/20/11/44/389201144.db2.gz SDEXOJYYTDWQNC-VXGBXAGGSA-N 1 2 263.341 0.746 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)nn(C)c2C)CC1 ZINC000123268615 389155628 /nfs/dbraw/zinc/15/56/28/389155628.db2.gz BXJFQJHWBHGHHD-UHFFFAOYSA-N 1 2 290.367 0.193 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC(=O)NC1CC1 ZINC000329413704 389162702 /nfs/dbraw/zinc/16/27/02/389162702.db2.gz DUPRETMIHDGTGY-QMMMGPOBSA-N 1 2 295.299 0.096 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC(=O)NC1CC1 ZINC000329413704 389162704 /nfs/dbraw/zinc/16/27/04/389162704.db2.gz DUPRETMIHDGTGY-QMMMGPOBSA-N 1 2 295.299 0.096 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC(=O)NCC3CC3)C[C@@H]21 ZINC000329462895 389164921 /nfs/dbraw/zinc/16/49/21/389164921.db2.gz UCQMUQRKOFQDRR-NWDGAFQWSA-N 1 2 296.371 0.282 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC(=O)NCC3CC3)C[C@@H]21 ZINC000329462895 389164923 /nfs/dbraw/zinc/16/49/23/389164923.db2.gz UCQMUQRKOFQDRR-NWDGAFQWSA-N 1 2 296.371 0.282 20 30 CCEDLO CN(CC1(O)CCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329498469 389167462 /nfs/dbraw/zinc/16/74/62/389167462.db2.gz GUEHYGGCAUUCJM-NSHDSACASA-N 1 2 271.361 0.078 20 30 CCEDLO CN(CC1(O)CCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329498469 389167465 /nfs/dbraw/zinc/16/74/65/389167465.db2.gz GUEHYGGCAUUCJM-NSHDSACASA-N 1 2 271.361 0.078 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000128265593 389176716 /nfs/dbraw/zinc/17/67/16/389176716.db2.gz UYCKFWSGTZGTNX-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000245389547 389205350 /nfs/dbraw/zinc/20/53/50/389205350.db2.gz IMRVETOCSGVAEE-WFASDCNBSA-N 1 2 292.383 0.395 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000245389547 389205354 /nfs/dbraw/zinc/20/53/54/389205354.db2.gz IMRVETOCSGVAEE-WFASDCNBSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000248567723 389246840 /nfs/dbraw/zinc/24/68/40/389246840.db2.gz LFIODDGQBLMBQJ-JHJVBQTASA-N 1 2 285.388 0.332 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330627002 389248183 /nfs/dbraw/zinc/24/81/83/389248183.db2.gz WLXHDZAYOPRGMA-CQSZACIVSA-N 1 2 270.373 0.541 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000248825883 389250415 /nfs/dbraw/zinc/25/04/15/389250415.db2.gz GPTMQLMDMPCDAJ-UONOGXRCSA-N 1 2 293.367 0.381 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000248825883 389250419 /nfs/dbraw/zinc/25/04/19/389250419.db2.gz GPTMQLMDMPCDAJ-UONOGXRCSA-N 1 2 293.367 0.381 20 30 CCEDLO Cc1c[nH+]c(CN(CCC#N)CCN2CCOCC2)n1C ZINC000342788665 389252723 /nfs/dbraw/zinc/25/27/23/389252723.db2.gz JXGXEEXPKIOBKL-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000135603035 389260111 /nfs/dbraw/zinc/26/01/11/389260111.db2.gz BIDKMGNLPOHAIE-SMDDNHRTSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135603035 389260112 /nfs/dbraw/zinc/26/01/12/389260112.db2.gz BIDKMGNLPOHAIE-SMDDNHRTSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCOC[C@@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OC ZINC000361113153 389208548 /nfs/dbraw/zinc/20/85/48/389208548.db2.gz KLXQLSUVDHISQI-VXGBXAGGSA-N 1 2 257.330 0.747 20 30 CCEDLO CN1CC[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000329894258 389209841 /nfs/dbraw/zinc/20/98/41/389209841.db2.gz BDKFPMQVIFRFDS-MNOVXSKESA-N 1 2 291.355 0.495 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329952133 389213214 /nfs/dbraw/zinc/21/32/14/389213214.db2.gz IQGNVAAECKMRPA-WDEREUQCSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329952133 389213216 /nfs/dbraw/zinc/21/32/16/389213216.db2.gz IQGNVAAECKMRPA-WDEREUQCSA-N 1 2 293.327 0.046 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330378428 389222973 /nfs/dbraw/zinc/22/29/73/389222973.db2.gz RGOMLIKWSKLPAD-SNVBAGLBSA-N 1 2 285.373 0.188 20 30 CCEDLO Cc1ncccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330436105 389228665 /nfs/dbraw/zinc/22/86/65/389228665.db2.gz BEBMHOHVNKYZNS-GFCCVEGCSA-N 1 2 279.340 0.388 20 30 CCEDLO CCN(CCO)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330483029 389234649 /nfs/dbraw/zinc/23/46/49/389234649.db2.gz YQLUTAXKZZLBER-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330524753 389237648 /nfs/dbraw/zinc/23/76/48/389237648.db2.gz KWELRDGLMRHGFU-CIUDSAMLSA-N 1 2 286.332 0.050 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330524753 389237652 /nfs/dbraw/zinc/23/76/52/389237652.db2.gz KWELRDGLMRHGFU-CIUDSAMLSA-N 1 2 286.332 0.050 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000330528184 389238257 /nfs/dbraw/zinc/23/82/57/389238257.db2.gz LQURJEUVAUSBGO-QWHCGFSZSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000330528184 389238261 /nfs/dbraw/zinc/23/82/61/389238261.db2.gz LQURJEUVAUSBGO-QWHCGFSZSA-N 1 2 277.299 0.573 20 30 CCEDLO COC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525962 389238520 /nfs/dbraw/zinc/23/85/20/389238520.db2.gz KLNXPJMZPQAPCZ-CHWSQXEVSA-N 1 2 297.399 0.873 20 30 CCEDLO COC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525962 389238521 /nfs/dbraw/zinc/23/85/21/389238521.db2.gz KLNXPJMZPQAPCZ-CHWSQXEVSA-N 1 2 297.399 0.873 20 30 CCEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155132446 389317332 /nfs/dbraw/zinc/31/73/32/389317332.db2.gz BALABDCAFHDRIA-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155132446 389317335 /nfs/dbraw/zinc/31/73/35/389317335.db2.gz BALABDCAFHDRIA-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346867755 389340104 /nfs/dbraw/zinc/34/01/04/389340104.db2.gz HSACALSEPNBEAT-LLVKDONJSA-N 1 2 278.356 0.149 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346867755 389340108 /nfs/dbraw/zinc/34/01/08/389340108.db2.gz HSACALSEPNBEAT-LLVKDONJSA-N 1 2 278.356 0.149 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346897467 389340213 /nfs/dbraw/zinc/34/02/13/389340213.db2.gz ZUTKNFSTKIXENT-NSHDSACASA-N 1 2 278.356 0.101 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346897467 389340218 /nfs/dbraw/zinc/34/02/18/389340218.db2.gz ZUTKNFSTKIXENT-NSHDSACASA-N 1 2 278.356 0.101 20 30 CCEDLO N#Cc1cccc(-c2nnc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)c1 ZINC000332128903 389340399 /nfs/dbraw/zinc/34/03/99/389340399.db2.gz JLCCUYZZMFXHKH-RYUDHWBXSA-N 1 2 286.291 0.146 20 30 CCEDLO CC(C)N(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000331001218 389278641 /nfs/dbraw/zinc/27/86/41/389278641.db2.gz WXKVBNYJNACUIQ-UHFFFAOYSA-N 1 2 256.350 0.063 20 30 CCEDLO CC(C)N(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000331001218 389278645 /nfs/dbraw/zinc/27/86/45/389278645.db2.gz WXKVBNYJNACUIQ-UHFFFAOYSA-N 1 2 256.350 0.063 20 30 CCEDLO Cn1nccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000348394658 389376251 /nfs/dbraw/zinc/37/62/51/389376251.db2.gz DFRUHOOKPYKLOB-AWEZNQCLSA-N 1 2 275.356 0.660 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000348394658 389376256 /nfs/dbraw/zinc/37/62/56/389376256.db2.gz DFRUHOOKPYKLOB-AWEZNQCLSA-N 1 2 275.356 0.660 20 30 CCEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408384546 389344674 /nfs/dbraw/zinc/34/46/74/389344674.db2.gz ZTEOTNIOUSITIN-DGCLKSJQSA-N 1 2 290.367 0.101 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2ncc(Cl)c2C)CC1 ZINC000158565614 389345654 /nfs/dbraw/zinc/34/56/54/389345654.db2.gz HRJQENJWIGMNIP-UHFFFAOYSA-N 1 2 280.759 0.622 20 30 CCEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)OCC)CC1 ZINC000264694160 389346775 /nfs/dbraw/zinc/34/67/75/389346775.db2.gz IDXLMBGRTNSCAX-UHFFFAOYSA-N 1 2 254.330 0.660 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421029651 389349355 /nfs/dbraw/zinc/34/93/55/389349355.db2.gz XKKARMWOCHIKSJ-TZMCWYRMSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421029651 389349360 /nfs/dbraw/zinc/34/93/60/389349360.db2.gz XKKARMWOCHIKSJ-TZMCWYRMSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000347706348 389356763 /nfs/dbraw/zinc/35/67/63/389356763.db2.gz XEAGDFSNKIIPGZ-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000347706348 389356766 /nfs/dbraw/zinc/35/67/66/389356766.db2.gz XEAGDFSNKIIPGZ-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373401793 389479332 /nfs/dbraw/zinc/47/93/32/389479332.db2.gz BUUZCELORVKQJU-SCRDCRAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373401793 389479336 /nfs/dbraw/zinc/47/93/36/389479336.db2.gz BUUZCELORVKQJU-SCRDCRAPSA-N 1 2 266.341 0.004 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371824619 389439718 /nfs/dbraw/zinc/43/97/18/389439718.db2.gz XGHJWYDNMANVJS-UKRRQHHQSA-N 1 2 294.399 0.057 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371824619 389439722 /nfs/dbraw/zinc/43/97/22/389439722.db2.gz XGHJWYDNMANVJS-UKRRQHHQSA-N 1 2 294.399 0.057 20 30 CCEDLO CCC[N@H+](CC(=O)NCC#N)[C@H](C)C(=O)OCC ZINC000411639432 389440827 /nfs/dbraw/zinc/44/08/27/389440827.db2.gz AMPGLNGTATXQGZ-SNVBAGLBSA-N 1 2 255.318 0.290 20 30 CCEDLO CCC[N@@H+](CC(=O)NCC#N)[C@H](C)C(=O)OCC ZINC000411639432 389440829 /nfs/dbraw/zinc/44/08/29/389440829.db2.gz AMPGLNGTATXQGZ-SNVBAGLBSA-N 1 2 255.318 0.290 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372166957 389445523 /nfs/dbraw/zinc/44/55/23/389445523.db2.gz NIFDZXALSKMFQH-STQMWFEESA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372166957 389445527 /nfs/dbraw/zinc/44/55/27/389445527.db2.gz NIFDZXALSKMFQH-STQMWFEESA-N 1 2 268.357 0.250 20 30 CCEDLO C=CCN(c1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C1CC1 ZINC000278687991 389561446 /nfs/dbraw/zinc/56/14/46/389561446.db2.gz HFLZPJXWPWZHLH-UHFFFAOYSA-N 1 2 287.367 0.910 20 30 CCEDLO C=CCN(c1cc(N2CCN(C)C(=O)C2)nc[nH+]1)C1CC1 ZINC000278687991 389561450 /nfs/dbraw/zinc/56/14/50/389561450.db2.gz HFLZPJXWPWZHLH-UHFFFAOYSA-N 1 2 287.367 0.910 20 30 CCEDLO CC(C)[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000351147551 389565856 /nfs/dbraw/zinc/56/58/56/389565856.db2.gz RFSWIEJPYVPELS-AWEZNQCLSA-N 1 2 292.383 0.999 20 30 CCEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000351147551 389565859 /nfs/dbraw/zinc/56/58/59/389565859.db2.gz RFSWIEJPYVPELS-AWEZNQCLSA-N 1 2 292.383 0.999 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CC)CC)C1=O ZINC000281527716 389618620 /nfs/dbraw/zinc/61/86/20/389618620.db2.gz ZUFUIAOXUNVFKV-CHWSQXEVSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CC)CC)C1=O ZINC000281527716 389618623 /nfs/dbraw/zinc/61/86/23/389618623.db2.gz ZUFUIAOXUNVFKV-CHWSQXEVSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000281938777 389638016 /nfs/dbraw/zinc/63/80/16/389638016.db2.gz IRMSUKHSLALGAZ-ZDUSSCGKSA-N 1 2 287.367 0.386 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)C1=O ZINC000281955902 389638650 /nfs/dbraw/zinc/63/86/50/389638650.db2.gz JYBOWUQMKJQDQU-AGIUHOORSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)C1=O ZINC000281955902 389638652 /nfs/dbraw/zinc/63/86/52/389638652.db2.gz JYBOWUQMKJQDQU-AGIUHOORSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(C)=O)C[C@H]2C)C1=O ZINC000281959892 389639801 /nfs/dbraw/zinc/63/98/01/389639801.db2.gz KIBZRWJMKSGVNN-DGCLKSJQSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(C)=O)C[C@H]2C)C1=O ZINC000281959892 389639802 /nfs/dbraw/zinc/63/98/02/389639802.db2.gz KIBZRWJMKSGVNN-DGCLKSJQSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000428881308 389725208 /nfs/dbraw/zinc/72/52/08/389725208.db2.gz MMWZJPTYRQVGIG-GFCCVEGCSA-N 1 2 279.300 0.554 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000428881308 389725210 /nfs/dbraw/zinc/72/52/10/389725210.db2.gz MMWZJPTYRQVGIG-GFCCVEGCSA-N 1 2 279.300 0.554 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179357926 389653510 /nfs/dbraw/zinc/65/35/10/389653510.db2.gz YXZFFIAXRMHNQY-UHFFFAOYSA-N 1 2 255.325 0.975 20 30 CCEDLO C=CCCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000351691047 389657954 /nfs/dbraw/zinc/65/79/54/389657954.db2.gz GUDKGGQBIDNPKN-ZDUSSCGKSA-N 1 2 268.405 0.888 20 30 CCEDLO C=CCCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000351691047 389657956 /nfs/dbraw/zinc/65/79/56/389657956.db2.gz GUDKGGQBIDNPKN-ZDUSSCGKSA-N 1 2 268.405 0.888 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000427992869 389684501 /nfs/dbraw/zinc/68/45/01/389684501.db2.gz NNCMGDSESUIPTB-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181782462 389693977 /nfs/dbraw/zinc/69/39/77/389693977.db2.gz HGQZZDXEVQOVBT-ZDUSSCGKSA-N 1 2 296.392 0.664 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091204 389750626 /nfs/dbraw/zinc/75/06/26/389750626.db2.gz DGCZCPQYSXPLNO-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091204 389750630 /nfs/dbraw/zinc/75/06/30/389750630.db2.gz DGCZCPQYSXPLNO-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332023724 533232720 /nfs/dbraw/zinc/23/27/20/533232720.db2.gz GIRAJCRYGRYEQQ-NSHDSACASA-N 1 2 294.399 0.784 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332023724 533232728 /nfs/dbraw/zinc/23/27/28/533232728.db2.gz GIRAJCRYGRYEQQ-NSHDSACASA-N 1 2 294.399 0.784 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352467921 389815327 /nfs/dbraw/zinc/81/53/27/389815327.db2.gz OLTSDHMPYYIBIZ-LLVKDONJSA-N 1 2 251.334 0.404 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000431813212 389866857 /nfs/dbraw/zinc/86/68/57/389866857.db2.gz MXBHMJCASPORBU-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCNC1=O ZINC000442962357 389869093 /nfs/dbraw/zinc/86/90/93/389869093.db2.gz KJQYWOUIEZUYKJ-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCNC1=O ZINC000442962357 389869095 /nfs/dbraw/zinc/86/90/95/389869095.db2.gz KJQYWOUIEZUYKJ-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)o1 ZINC000443857912 389886347 /nfs/dbraw/zinc/88/63/47/389886347.db2.gz VETFAQKIIXKOJN-JTQLQIEISA-N 1 2 255.299 0.014 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)o1 ZINC000443857912 389886348 /nfs/dbraw/zinc/88/63/48/389886348.db2.gz VETFAQKIIXKOJN-JTQLQIEISA-N 1 2 255.299 0.014 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCOCC1 ZINC000447657039 389962056 /nfs/dbraw/zinc/96/20/56/389962056.db2.gz CSPCJGQOQCYIPZ-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000446669789 389939379 /nfs/dbraw/zinc/93/93/79/389939379.db2.gz GGPRLWSBPGBVTQ-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000420438660 390004015 /nfs/dbraw/zinc/00/40/15/390004015.db2.gz LMEWCOGOCCULBH-CYBMUJFWSA-N 1 2 297.355 0.880 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000457099301 390028948 /nfs/dbraw/zinc/02/89/48/390028948.db2.gz MOECYALSCHAPCT-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000457099301 390028949 /nfs/dbraw/zinc/02/89/49/390028949.db2.gz MOECYALSCHAPCT-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC000493137349 390119353 /nfs/dbraw/zinc/11/93/53/390119353.db2.gz AUHCTCKHAXHGPD-RYUDHWBXSA-N 1 2 279.340 0.300 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC000493137349 390119354 /nfs/dbraw/zinc/11/93/54/390119354.db2.gz AUHCTCKHAXHGPD-RYUDHWBXSA-N 1 2 279.340 0.300 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000491384801 390112812 /nfs/dbraw/zinc/11/28/12/390112812.db2.gz PQPHYMILBOXEOE-NWDGAFQWSA-N 1 2 259.309 0.306 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000579234312 390155086 /nfs/dbraw/zinc/15/50/86/390155086.db2.gz ZCGJQRDDWLCWSA-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000579234312 390155088 /nfs/dbraw/zinc/15/50/88/390155088.db2.gz ZCGJQRDDWLCWSA-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)[nH]n1 ZINC000592524924 390364130 /nfs/dbraw/zinc/36/41/30/390364130.db2.gz IPDIPDJKZFUCFM-ZDUSSCGKSA-N 1 2 278.312 0.437 20 30 CCEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)[nH]n1 ZINC000592524924 390364132 /nfs/dbraw/zinc/36/41/32/390364132.db2.gz IPDIPDJKZFUCFM-ZDUSSCGKSA-N 1 2 278.312 0.437 20 30 CCEDLO CC#CC[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000645406093 390421660 /nfs/dbraw/zinc/42/16/60/390421660.db2.gz QVIYGQRPINHCFT-SNVBAGLBSA-N 1 2 256.309 0.650 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000565051398 390499486 /nfs/dbraw/zinc/49/94/86/390499486.db2.gz NDMWDYXQIYGBDW-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO CCCN1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000514792393 390469777 /nfs/dbraw/zinc/46/97/77/390469777.db2.gz JUHNKCQHSYHFEY-BXUZGUMPSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646035985 390579078 /nfs/dbraw/zinc/57/90/78/390579078.db2.gz ZQRQQCOTIKFCMX-OLZOCXBDSA-N 1 2 289.397 0.203 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646035985 390579081 /nfs/dbraw/zinc/57/90/81/390579081.db2.gz ZQRQQCOTIKFCMX-OLZOCXBDSA-N 1 2 289.397 0.203 20 30 CCEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CC#CCOC ZINC000645996240 390562974 /nfs/dbraw/zinc/56/29/74/390562974.db2.gz DSOYNXUGWNWYHG-HNNXBMFYSA-N 1 2 272.348 0.809 20 30 CCEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CC#CCOC ZINC000645996240 390562976 /nfs/dbraw/zinc/56/29/76/390562976.db2.gz DSOYNXUGWNWYHG-HNNXBMFYSA-N 1 2 272.348 0.809 20 30 CCEDLO N#CCCC1CC[NH+](CC(=O)Nc2nn[nH]n2)CC1 ZINC000566007321 390566141 /nfs/dbraw/zinc/56/61/41/390566141.db2.gz SCPKLMCMLNHHOK-UHFFFAOYSA-N 1 2 263.305 0.154 20 30 CCEDLO COc1cnc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000567506115 390702249 /nfs/dbraw/zinc/70/22/49/390702249.db2.gz DPQFEFSWVYDFSA-LBPRGKRZSA-N 1 2 263.301 0.059 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528792993 390779362 /nfs/dbraw/zinc/77/93/62/390779362.db2.gz WLBKUARAKKCKKY-LLVKDONJSA-N 1 2 262.313 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528792993 390779365 /nfs/dbraw/zinc/77/93/65/390779365.db2.gz WLBKUARAKKCKKY-LLVKDONJSA-N 1 2 262.313 0.621 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC2(C#N)CC2)[C@@H](C)C1=O ZINC000528463574 390746237 /nfs/dbraw/zinc/74/62/37/390746237.db2.gz HXVOUPCTVADLPK-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@@H](C)C1=O ZINC000528463574 390746239 /nfs/dbraw/zinc/74/62/39/390746239.db2.gz HXVOUPCTVADLPK-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000532204211 390879181 /nfs/dbraw/zinc/87/91/81/390879181.db2.gz RPUREZTXKJFUTG-GFCCVEGCSA-N 1 2 290.367 0.268 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000532204211 390879184 /nfs/dbraw/zinc/87/91/84/390879184.db2.gz RPUREZTXKJFUTG-GFCCVEGCSA-N 1 2 290.367 0.268 20 30 CCEDLO N#Cc1cccnc1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000578569196 390892655 /nfs/dbraw/zinc/89/26/55/390892655.db2.gz PCUGLTPHOTUXKM-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO Cn1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1C#N ZINC000191207518 130202066 /nfs/dbraw/zinc/20/20/66/130202066.db2.gz CMOFDRJICXYPDK-UHFFFAOYSA-N 1 2 296.396 0.364 20 30 CCEDLO Cn1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1C#N ZINC000191207518 130202071 /nfs/dbraw/zinc/20/20/71/130202071.db2.gz CMOFDRJICXYPDK-UHFFFAOYSA-N 1 2 296.396 0.364 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268446981 132010870 /nfs/dbraw/zinc/01/08/70/132010870.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268446981 132010871 /nfs/dbraw/zinc/01/08/71/132010871.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268446981 132010872 /nfs/dbraw/zinc/01/08/72/132010872.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268446981 132010873 /nfs/dbraw/zinc/01/08/73/132010873.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268446981 132010874 /nfs/dbraw/zinc/01/08/74/132010874.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268446981 132010875 /nfs/dbraw/zinc/01/08/75/132010875.db2.gz ICKXYLPQRYOWPM-CMPLNLGQSA-N 1 2 275.356 0.430 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000329617983 296489620 /nfs/dbraw/zinc/48/96/20/296489620.db2.gz LTVKEQINUIGVFJ-RYUDHWBXSA-N 1 2 299.396 0.034 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccnc(C#N)c1 ZINC000356524649 144010866 /nfs/dbraw/zinc/01/08/66/144010866.db2.gz ARSPDQLVTRLXEX-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccnc(C#N)c1 ZINC000356524649 144010867 /nfs/dbraw/zinc/01/08/67/144010867.db2.gz ARSPDQLVTRLXEX-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000356780050 144032310 /nfs/dbraw/zinc/03/23/10/144032310.db2.gz OFDINFZUVZUQIT-UHFFFAOYSA-N 1 2 256.265 0.927 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537643 397630575 /nfs/dbraw/zinc/63/05/75/397630575.db2.gz FKKOZRUJWVGZOK-UWVGGRQHSA-N 1 2 253.302 0.892 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537643 397630577 /nfs/dbraw/zinc/63/05/77/397630577.db2.gz FKKOZRUJWVGZOK-UWVGGRQHSA-N 1 2 253.302 0.892 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)ncn1 ZINC000553262213 286187261 /nfs/dbraw/zinc/18/72/61/286187261.db2.gz LRVZQFBNRYKWCO-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575127502 335069889 /nfs/dbraw/zinc/06/98/89/335069889.db2.gz KGARJGIDVLOBCA-ABAIWWIYSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000659103281 413283123 /nfs/dbraw/zinc/28/31/23/413283123.db2.gz NXOHPBOQZDHSMH-UHFFFAOYSA-N 1 2 278.312 0.311 20 30 CCEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575127504 335069985 /nfs/dbraw/zinc/06/99/85/335069985.db2.gz KGARJGIDVLOBCA-NHYWBVRUSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339155693 262608014 /nfs/dbraw/zinc/60/80/14/262608014.db2.gz CYUWHJKOFHBEJL-NEPJUHHUSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339155693 262608015 /nfs/dbraw/zinc/60/80/15/262608015.db2.gz CYUWHJKOFHBEJL-NEPJUHHUSA-N 1 2 288.413 0.434 20 30 CCEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC(=O)N1CCCC1 ZINC000329355328 227466121 /nfs/dbraw/zinc/46/61/21/227466121.db2.gz VUCBDFUJXPPASP-UHFFFAOYSA-N 1 2 291.355 0.278 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N(CCO)C1CC1 ZINC000330281277 228091636 /nfs/dbraw/zinc/09/16/36/228091636.db2.gz UJQASDNAZWYWHZ-JTQLQIEISA-N 1 2 264.329 0.569 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)[NH+]1CCOCC1 ZINC000330350005 228162451 /nfs/dbraw/zinc/16/24/51/228162451.db2.gz KOUCFUNMQPEOOS-VXGBXAGGSA-N 1 2 293.371 0.518 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@]2(C)CCOC2)C1 ZINC000329588622 545023611 /nfs/dbraw/zinc/02/36/11/545023611.db2.gz YZJWGOBLAJRYOM-TZMCWYRMSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@]2(C)CCOC2)C1 ZINC000329588622 545023613 /nfs/dbraw/zinc/02/36/13/545023613.db2.gz YZJWGOBLAJRYOM-TZMCWYRMSA-N 1 2 284.404 0.162 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000349012311 545064804 /nfs/dbraw/zinc/06/48/04/545064804.db2.gz JAQJTBFESMVJNW-SNVBAGLBSA-N 1 2 264.285 0.043 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407950451 260012450 /nfs/dbraw/zinc/01/24/50/260012450.db2.gz BEGSFKVCAKHFAK-DGCLKSJQSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407950451 260012452 /nfs/dbraw/zinc/01/24/52/260012452.db2.gz BEGSFKVCAKHFAK-DGCLKSJQSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000407972736 260136015 /nfs/dbraw/zinc/13/60/15/260136015.db2.gz HDGAKXVRVCFELE-IJLUTSLNSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000407972736 260136017 /nfs/dbraw/zinc/13/60/17/260136017.db2.gz HDGAKXVRVCFELE-IJLUTSLNSA-N 1 2 288.417 0.490 20 30 CCEDLO CC[C@H](C(=O)N1CCO[C@@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000408000195 260166183 /nfs/dbraw/zinc/16/61/83/260166183.db2.gz ZYNXENZLOKLVCJ-HZSPNIEDSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@H](C(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000408000195 260166184 /nfs/dbraw/zinc/16/61/84/260166184.db2.gz ZYNXENZLOKLVCJ-HZSPNIEDSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCC1 ZINC000083795586 260190430 /nfs/dbraw/zinc/19/04/30/260190430.db2.gz WAPLJAWFIDJCAX-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000408160697 260332125 /nfs/dbraw/zinc/33/21/25/260332125.db2.gz WZOPVGXICJDJPM-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(Cc2ccccc2)no1 ZINC000121409888 260710570 /nfs/dbraw/zinc/71/05/70/260710570.db2.gz PFBNLOQOEOMZSY-UHFFFAOYSA-N 1 2 276.296 0.832 20 30 CCEDLO COc1ccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)cn1 ZINC000131574016 260876969 /nfs/dbraw/zinc/87/69/69/260876969.db2.gz MOJISUHVHMGFTD-UHFFFAOYSA-N 1 2 280.328 0.794 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@H]2CC)CC1 ZINC000490762039 261203508 /nfs/dbraw/zinc/20/35/08/261203508.db2.gz ZOUSLOWWTSMVCR-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@H]2CC)CC1 ZINC000490762039 261203509 /nfs/dbraw/zinc/20/35/09/261203509.db2.gz ZOUSLOWWTSMVCR-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248987159 261231213 /nfs/dbraw/zinc/23/12/13/261231213.db2.gz KHEZVSYFBDQTAL-HIFRSBDPSA-N 1 2 295.383 0.486 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248987159 261231216 /nfs/dbraw/zinc/23/12/16/261231216.db2.gz KHEZVSYFBDQTAL-HIFRSBDPSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)COC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000177922032 261371039 /nfs/dbraw/zinc/37/10/39/261371039.db2.gz GVFNQSIIBHRSHR-CHWSQXEVSA-N 1 2 291.413 0.447 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)COC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000177922032 261371041 /nfs/dbraw/zinc/37/10/41/261371041.db2.gz GVFNQSIIBHRSHR-CHWSQXEVSA-N 1 2 291.413 0.447 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000526058246 262083733 /nfs/dbraw/zinc/08/37/33/262083733.db2.gz BADLHBNCECUBBJ-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000526058246 262083735 /nfs/dbraw/zinc/08/37/35/262083735.db2.gz BADLHBNCECUBBJ-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO C=C(C)COCCNC(=O)NCc1[nH+]ccn1C ZINC000354479993 262265260 /nfs/dbraw/zinc/26/52/60/262265260.db2.gz PSRSFKGOFSGMQF-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO C#CCSCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161855185 262320084 /nfs/dbraw/zinc/32/00/84/262320084.db2.gz WNUIJGRPEPOTMR-NSHDSACASA-N 1 2 263.366 0.928 20 30 CCEDLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000365275742 262357421 /nfs/dbraw/zinc/35/74/21/262357421.db2.gz PIGWGWOQUIFMQX-CQSZACIVSA-N 1 2 278.377 0.791 20 30 CCEDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365275742 262357422 /nfs/dbraw/zinc/35/74/22/262357422.db2.gz PIGWGWOQUIFMQX-CQSZACIVSA-N 1 2 278.377 0.791 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000412450807 262730933 /nfs/dbraw/zinc/73/09/33/262730933.db2.gz VSDDWIFXXRMXOE-SWLSCSKDSA-N 1 2 295.383 0.342 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1cccs1)[C@H]1CCCO1 ZINC000284390025 263086632 /nfs/dbraw/zinc/08/66/32/263086632.db2.gz MNFSJYFGSVEWRK-SNVBAGLBSA-N 1 2 283.353 0.832 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340238294 263099339 /nfs/dbraw/zinc/09/93/39/263099339.db2.gz ZPCLFJROJOLQQM-UHFFFAOYSA-N 1 2 276.340 0.408 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCCN1C(=O)CNC1=O ZINC000292260088 263130194 /nfs/dbraw/zinc/13/01/94/263130194.db2.gz RLOBOVGVTIHXNH-UHFFFAOYSA-N 1 2 250.302 0.330 20 30 CCEDLO C=CC[N@H+](CCC#N)CCCN1C(=O)CNC1=O ZINC000292260088 263130195 /nfs/dbraw/zinc/13/01/95/263130195.db2.gz RLOBOVGVTIHXNH-UHFFFAOYSA-N 1 2 250.302 0.330 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000292973666 263136799 /nfs/dbraw/zinc/13/67/99/263136799.db2.gz AUJVXNGQDREBHF-LBPRGKRZSA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000292973666 263136800 /nfs/dbraw/zinc/13/68/00/263136800.db2.gz AUJVXNGQDREBHF-LBPRGKRZSA-N 1 2 268.357 0.645 20 30 CCEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000121152967 263290358 /nfs/dbraw/zinc/29/03/58/263290358.db2.gz GCKZIBNACCWXHZ-GHMZBOCLSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[N@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000121152967 263290359 /nfs/dbraw/zinc/29/03/59/263290359.db2.gz GCKZIBNACCWXHZ-GHMZBOCLSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000341798706 263350288 /nfs/dbraw/zinc/35/02/88/263350288.db2.gz CDXDSFFKQSCOMW-MCIONIFRSA-N 1 2 299.415 0.579 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330632446 264000176 /nfs/dbraw/zinc/00/01/76/264000176.db2.gz ICUWUCJTHJCBCP-QWRGUYRKSA-N 1 2 271.361 0.926 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330632446 264000177 /nfs/dbraw/zinc/00/01/77/264000177.db2.gz ICUWUCJTHJCBCP-QWRGUYRKSA-N 1 2 271.361 0.926 20 30 CCEDLO COc1cnc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000330725282 264025947 /nfs/dbraw/zinc/02/59/47/264025947.db2.gz JNWMQJGGUFBCKD-MRVPVSSYSA-N 1 2 286.357 0.808 20 30 CCEDLO COc1cnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000330725282 264025948 /nfs/dbraw/zinc/02/59/48/264025948.db2.gz JNWMQJGGUFBCKD-MRVPVSSYSA-N 1 2 286.357 0.808 20 30 CCEDLO COC(=O)C[C@]1(NC(=O)c2c[nH+]c(C)[nH]2)CCOC1 ZINC000330907994 264074703 /nfs/dbraw/zinc/07/47/03/264074703.db2.gz CMZJSGYKYYEXSN-GFCCVEGCSA-N 1 2 267.285 0.745 20 30 CCEDLO N#CCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330896693 264078301 /nfs/dbraw/zinc/07/83/01/264078301.db2.gz NMMQJHCVJXXJDP-UHFFFAOYSA-N 1 2 276.344 0.116 20 30 CCEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(C)CCC#N ZINC000330899285 264079067 /nfs/dbraw/zinc/07/90/67/264079067.db2.gz PUHKDMLRLYLXEC-NSHDSACASA-N 1 2 290.371 0.465 20 30 CCEDLO CC(C)N(C[C@@H](C)O)C(=O)NCc1[nH+]ccn1C ZINC000330942632 264084394 /nfs/dbraw/zinc/08/43/94/264084394.db2.gz CXXNTRHDVXJJBU-SNVBAGLBSA-N 1 2 254.334 0.925 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330946087 264085141 /nfs/dbraw/zinc/08/51/41/264085141.db2.gz HFELDOKOFVUTAX-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cnn1 ZINC000330950465 264085991 /nfs/dbraw/zinc/08/59/91/264085991.db2.gz OTLCXUQKQVGBII-NSHDSACASA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cnn1 ZINC000330950465 264085994 /nfs/dbraw/zinc/08/59/94/264085994.db2.gz OTLCXUQKQVGBII-NSHDSACASA-N 1 2 264.329 0.810 20 30 CCEDLO COC[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000330933800 264097354 /nfs/dbraw/zinc/09/73/54/264097354.db2.gz FOXUAFIKEDXERO-JTQLQIEISA-N 1 2 268.317 0.181 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331120314 264129985 /nfs/dbraw/zinc/12/99/85/264129985.db2.gz AUYMNGNORDCOTM-UHFFFAOYSA-N 1 2 293.314 0.519 20 30 CCEDLO CC[C@](C)(CCO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000331200718 264160322 /nfs/dbraw/zinc/16/03/22/264160322.db2.gz ALASOXFZHJGGTB-TZMCWYRMSA-N 1 2 286.420 0.287 20 30 CCEDLO CC[C@](C)(CCO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000331200718 264160323 /nfs/dbraw/zinc/16/03/23/264160323.db2.gz ALASOXFZHJGGTB-TZMCWYRMSA-N 1 2 286.420 0.287 20 30 CCEDLO CCc1ccnc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000331222514 264166658 /nfs/dbraw/zinc/16/66/58/264166658.db2.gz BRAUCCYNCZLKNG-CQSZACIVSA-N 1 2 292.383 0.978 20 30 CCEDLO CCc1ccnc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000331222514 264166660 /nfs/dbraw/zinc/16/66/60/264166660.db2.gz BRAUCCYNCZLKNG-CQSZACIVSA-N 1 2 292.383 0.978 20 30 CCEDLO C#CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160297924 264236820 /nfs/dbraw/zinc/23/68/20/264236820.db2.gz HGFYIYWOJCIEOE-CVEARBPZSA-N 1 2 299.374 0.914 20 30 CCEDLO C#CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160297924 264236821 /nfs/dbraw/zinc/23/68/21/264236821.db2.gz HGFYIYWOJCIEOE-CVEARBPZSA-N 1 2 299.374 0.914 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(CCF)c1 ZINC000514605598 266016649 /nfs/dbraw/zinc/01/66/49/266016649.db2.gz MZZIHFPUNKEPHP-GFCCVEGCSA-N 1 2 267.308 0.426 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000356157604 266058884 /nfs/dbraw/zinc/05/88/84/266058884.db2.gz CNSDPXCVMYHWIX-CYBMUJFWSA-N 1 2 268.357 0.295 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359150810 266543041 /nfs/dbraw/zinc/54/30/41/266543041.db2.gz RDEKUQFXNAGXKA-VHSXEESVSA-N 1 2 250.302 0.044 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000359233261 266553846 /nfs/dbraw/zinc/55/38/46/266553846.db2.gz QGJNTVSIHWRJNG-MNOVXSKESA-N 1 2 264.329 0.607 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362585256 267011668 /nfs/dbraw/zinc/01/16/68/267011668.db2.gz CLJPCXUMHAPZEI-JTQLQIEISA-N 1 2 298.387 0.233 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362585256 267011671 /nfs/dbraw/zinc/01/16/71/267011671.db2.gz CLJPCXUMHAPZEI-JTQLQIEISA-N 1 2 298.387 0.233 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367466130 267092870 /nfs/dbraw/zinc/09/28/70/267092870.db2.gz RYRWULORXYJNTC-GFCCVEGCSA-N 1 2 281.381 0.953 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000367952163 267130361 /nfs/dbraw/zinc/13/03/61/267130361.db2.gz NRCGPDXUDUIIMT-LBPRGKRZSA-N 1 2 267.354 0.873 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000369418188 267241787 /nfs/dbraw/zinc/24/17/87/267241787.db2.gz NIFSMAYXEURGKC-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000369418188 267241790 /nfs/dbraw/zinc/24/17/90/267241790.db2.gz NIFSMAYXEURGKC-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000370010886 267283212 /nfs/dbraw/zinc/28/32/12/267283212.db2.gz OGZDTGDAVAFSJB-UHFFFAOYSA-N 1 2 299.374 0.318 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000370010886 267283215 /nfs/dbraw/zinc/28/32/15/267283215.db2.gz OGZDTGDAVAFSJB-UHFFFAOYSA-N 1 2 299.374 0.318 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000334551998 279499172 /nfs/dbraw/zinc/49/91/72/279499172.db2.gz FYYIMIWXPRINDS-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340290756 294862174 /nfs/dbraw/zinc/86/21/74/294862174.db2.gz OFEHOKKAUQZPOA-LSDHHAIUSA-N 1 2 291.326 0.579 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329896436 298243781 /nfs/dbraw/zinc/24/37/81/298243781.db2.gz KXTINRSPLFWNMY-QMTHXVAHSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329896436 298243784 /nfs/dbraw/zinc/24/37/84/298243784.db2.gz KXTINRSPLFWNMY-QMTHXVAHSA-N 1 2 297.355 0.899 20 30 CCEDLO COC(=O)CSCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570750012 327615982 /nfs/dbraw/zinc/61/59/82/327615982.db2.gz GNBWGPDQGRVCCD-GFCCVEGCSA-N 1 2 287.385 0.243 20 30 CCEDLO COC(=O)c1ccoc1CO[NH+]=C(N)CN1CCOCC1 ZINC000264684762 328161432 /nfs/dbraw/zinc/16/14/32/328161432.db2.gz DWWHXURNBYHSCT-UHFFFAOYSA-N 1 2 297.311 0.187 20 30 CCEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)CC#N)nc[nH+]1 ZINC000274681485 328212961 /nfs/dbraw/zinc/21/29/61/328212961.db2.gz JVVJJMDEIMGXTG-SNVBAGLBSA-N 1 2 274.328 0.517 20 30 CCEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)CC#N)[nH+]cn1 ZINC000274681485 328212962 /nfs/dbraw/zinc/21/29/62/328212962.db2.gz JVVJJMDEIMGXTG-SNVBAGLBSA-N 1 2 274.328 0.517 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccc(F)cc1 ZINC000049442245 328361769 /nfs/dbraw/zinc/36/17/69/328361769.db2.gz GWJDWDGPHFKPCR-UHFFFAOYSA-N 1 2 277.299 0.717 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NC)Cc1ccc(F)cc1 ZINC000049442245 328361770 /nfs/dbraw/zinc/36/17/70/328361770.db2.gz GWJDWDGPHFKPCR-UHFFFAOYSA-N 1 2 277.299 0.717 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC)CC1 ZINC000283501795 328514458 /nfs/dbraw/zinc/51/44/58/328514458.db2.gz OZCNNCHVWSJHHK-UHFFFAOYSA-N 1 2 259.357 0.931 20 30 CCEDLO C=CCCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000288598299 328525493 /nfs/dbraw/zinc/52/54/93/328525493.db2.gz NRNDZJXQGWZZPA-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ncc1C#N ZINC000584235115 327072164 /nfs/dbraw/zinc/07/21/64/327072164.db2.gz HMRYOCKSLYIQLV-CQSZACIVSA-N 1 2 271.324 0.835 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1noc(C2CC2)n1 ZINC000111181523 327277375 /nfs/dbraw/zinc/27/73/75/327277375.db2.gz RFHBIMDLBPGVGS-UHFFFAOYSA-N 1 2 281.316 0.068 20 30 CCEDLO Cc1nc(CO[NH+]=C(N)CN2CCOCC2)oc1C ZINC000111181999 327277658 /nfs/dbraw/zinc/27/76/58/327277658.db2.gz WOFWPCKCTWKZPZ-UHFFFAOYSA-N 1 2 268.317 0.412 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000113249086 327290519 /nfs/dbraw/zinc/29/05/19/327290519.db2.gz KCMJRFHYTKUIQN-VIFPVBQESA-N 1 2 277.324 0.999 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000566425871 327359189 /nfs/dbraw/zinc/35/91/89/327359189.db2.gz HTDZJCKFDHHFBG-CQSZACIVSA-N 1 2 278.356 0.103 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000566425871 327359191 /nfs/dbraw/zinc/35/91/91/327359191.db2.gz HTDZJCKFDHHFBG-CQSZACIVSA-N 1 2 278.356 0.103 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000562323161 327470256 /nfs/dbraw/zinc/47/02/56/327470256.db2.gz SHAOIXONCXEFQQ-ZFWWWQNUSA-N 1 2 289.335 0.786 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000378413283 329049454 /nfs/dbraw/zinc/04/94/54/329049454.db2.gz DEMLSBYPTPDKKO-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000378413283 329049455 /nfs/dbraw/zinc/04/94/55/329049455.db2.gz DEMLSBYPTPDKKO-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO COC(=O)c1cccc(C[NH2+][C@H]2COC[C@H]2OC)c1C#N ZINC000582472135 329094029 /nfs/dbraw/zinc/09/40/29/329094029.db2.gz CFDYHQLTXLBOJK-UONOGXRCSA-N 1 2 290.319 0.848 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000189423084 329382002 /nfs/dbraw/zinc/38/20/02/329382002.db2.gz LYXKYIQBYRXDII-ZDUSSCGKSA-N 1 2 278.356 0.660 20 30 CCEDLO C=CC[N@H+](CCOC)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000189423084 329382004 /nfs/dbraw/zinc/38/20/04/329382004.db2.gz LYXKYIQBYRXDII-ZDUSSCGKSA-N 1 2 278.356 0.660 20 30 CCEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000425211587 329640906 /nfs/dbraw/zinc/64/09/06/329640906.db2.gz XWUPZYOGWFDYSN-NSHDSACASA-N 1 2 289.401 0.271 20 30 CCEDLO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000051767085 329653902 /nfs/dbraw/zinc/65/39/02/329653902.db2.gz UAAMKERXIIFCQD-NSHDSACASA-N 1 2 253.346 0.253 20 30 CCEDLO CC#CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000135192058 329664784 /nfs/dbraw/zinc/66/47/84/329664784.db2.gz BYFBDMBPTMESEY-AWEZNQCLSA-N 1 2 297.424 0.517 20 30 CCEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000571852372 329926127 /nfs/dbraw/zinc/92/61/27/329926127.db2.gz FOGOHYDVUGLUOX-CYBMUJFWSA-N 1 2 292.383 0.445 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000080257745 330115106 /nfs/dbraw/zinc/11/51/06/330115106.db2.gz UYNDDUIWPVAOJT-AWEZNQCLSA-N 1 2 283.416 0.721 20 30 CCEDLO C=CCn1cc(CNC(=O)NCCCn2cc[nH+]c2)nn1 ZINC000424060823 330218700 /nfs/dbraw/zinc/21/87/00/330218700.db2.gz HZDNYMGOMDPFAJ-UHFFFAOYSA-N 1 2 289.343 0.550 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)nn1 ZINC000424293822 330335405 /nfs/dbraw/zinc/33/54/05/330335405.db2.gz JMSHSFWCEDIJRR-JTQLQIEISA-N 1 2 272.374 0.377 20 30 CCEDLO COC(=O)CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000429686483 330551976 /nfs/dbraw/zinc/55/19/76/330551976.db2.gz NNKNKUFOQFZXKT-UHFFFAOYSA-N 1 2 290.338 0.968 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC1(F)F ZINC000448838367 330885482 /nfs/dbraw/zinc/88/54/82/330885482.db2.gz XXDUHEMPNKKQMA-NSHDSACASA-N 1 2 287.310 0.716 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216691 331186639 /nfs/dbraw/zinc/18/66/39/331186639.db2.gz OQVVICNFOJEPJT-TXEJJXNPSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216691 331186640 /nfs/dbraw/zinc/18/66/40/331186640.db2.gz OQVVICNFOJEPJT-TXEJJXNPSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000457757243 331233415 /nfs/dbraw/zinc/23/34/15/331233415.db2.gz QRENBQYAOFXEPB-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000457813382 331235229 /nfs/dbraw/zinc/23/52/29/331235229.db2.gz KBHIYTYMXUCQFJ-NWDGAFQWSA-N 1 2 266.345 0.898 20 30 CCEDLO C=CCn1cccc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000488782509 332025511 /nfs/dbraw/zinc/02/55/11/332025511.db2.gz NNKURSNIMCQQJB-UHFFFAOYSA-N 1 2 290.367 0.226 20 30 CCEDLO C=CCn1cccc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000488782509 332025512 /nfs/dbraw/zinc/02/55/12/332025512.db2.gz NNKURSNIMCQQJB-UHFFFAOYSA-N 1 2 290.367 0.226 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(N(C)C)sc2=S)CC1 ZINC000490638644 332099213 /nfs/dbraw/zinc/09/92/13/332099213.db2.gz ZDCNEDOHLYMIJY-UHFFFAOYSA-N 1 2 297.453 0.948 20 30 CCEDLO C#C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(C)C ZINC000490951803 332132927 /nfs/dbraw/zinc/13/29/27/332132927.db2.gz ZXYZKKVXPISQCV-ZDUSSCGKSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CCN(CC#C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491125305 332153589 /nfs/dbraw/zinc/15/35/89/332153589.db2.gz CYICDFBHYWIHQE-UHFFFAOYSA-N 1 2 297.358 0.622 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000491146921 332156339 /nfs/dbraw/zinc/15/63/39/332156339.db2.gz PNUFDKDVKFSQRI-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000491146921 332156341 /nfs/dbraw/zinc/15/63/41/332156341.db2.gz PNUFDKDVKFSQRI-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000491376260 332200673 /nfs/dbraw/zinc/20/06/73/332200673.db2.gz ZFRSMLLISSLTNE-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000491376260 332200674 /nfs/dbraw/zinc/20/06/74/332200674.db2.gz ZFRSMLLISSLTNE-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@@H](CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491654215 332266637 /nfs/dbraw/zinc/26/66/37/332266637.db2.gz FPVLXHMQSNUJBN-LBPRGKRZSA-N 1 2 274.386 0.040 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000491669626 332276968 /nfs/dbraw/zinc/27/69/68/332276968.db2.gz UOGMKWWPJKKCCQ-IINYFYTJSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000491669626 332276969 /nfs/dbraw/zinc/27/69/69/332276969.db2.gz UOGMKWWPJKKCCQ-IINYFYTJSA-N 1 2 295.339 0.161 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc(C(C)(C)C)n2)CC1 ZINC000491680009 332283825 /nfs/dbraw/zinc/28/38/25/332283825.db2.gz HADATOKVRHPJSG-UHFFFAOYSA-N 1 2 289.383 0.353 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491705112 332298288 /nfs/dbraw/zinc/29/82/88/332298288.db2.gz CFSAZDCBBBQLEG-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC000491715397 332305737 /nfs/dbraw/zinc/30/57/37/332305737.db2.gz JSIIWDFIRFAQIS-LLVKDONJSA-N 1 2 291.317 0.552 20 30 CCEDLO C#C[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491730206 332312318 /nfs/dbraw/zinc/31/23/18/332312318.db2.gz HIDOYVIGENUORJ-SNVBAGLBSA-N 1 2 255.281 0.804 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000491774348 332340495 /nfs/dbraw/zinc/34/04/95/332340495.db2.gz UDVZYUPYSUJRCY-TXEJJXNPSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000491774348 332340497 /nfs/dbraw/zinc/34/04/97/332340497.db2.gz UDVZYUPYSUJRCY-TXEJJXNPSA-N 1 2 250.342 0.720 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491788477 332350775 /nfs/dbraw/zinc/35/07/75/332350775.db2.gz ZERJSVDCGGSZSQ-SNVBAGLBSA-N 1 2 275.308 0.760 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491788477 332350777 /nfs/dbraw/zinc/35/07/77/332350777.db2.gz ZERJSVDCGGSZSQ-SNVBAGLBSA-N 1 2 275.308 0.760 20 30 CCEDLO C#CCN(C(=O)C(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000491818313 332368560 /nfs/dbraw/zinc/36/85/60/332368560.db2.gz KZGPTIQYPGSGHZ-UHFFFAOYSA-N 1 2 288.351 0.404 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(C#N)CCC1 ZINC000134771841 334103773 /nfs/dbraw/zinc/10/37/73/334103773.db2.gz ZNJNUPKEYQWGNS-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000248332293 334298390 /nfs/dbraw/zinc/29/83/90/334298390.db2.gz FGFMFHCOCCYLHF-CHWSQXEVSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000248332293 334298392 /nfs/dbraw/zinc/29/83/92/334298392.db2.gz FGFMFHCOCCYLHF-CHWSQXEVSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(C)CCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000564661089 334515579 /nfs/dbraw/zinc/51/55/79/334515579.db2.gz PMNBYFZIJHKXFY-AWEZNQCLSA-N 1 2 292.387 0.898 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cncc(F)c1 ZINC000567114754 334682336 /nfs/dbraw/zinc/68/23/36/334682336.db2.gz ZAJRAMCVCZQPBI-GFCCVEGCSA-N 1 2 250.277 0.794 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC000580722974 335960261 /nfs/dbraw/zinc/96/02/61/335960261.db2.gz LNPROKKRNXLALK-ZJUUUORDSA-N 1 2 270.333 0.129 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)C[NH+]2CC(C)(C)C2)C1=O ZINC000581735967 336140443 /nfs/dbraw/zinc/14/04/43/336140443.db2.gz HWLWLCAUDVPPQM-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO N#Cc1csc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)n1 ZINC000386126230 336166582 /nfs/dbraw/zinc/16/65/82/336166582.db2.gz NCWPZPQEBWTPSG-MRVPVSSYSA-N 1 2 271.367 0.682 20 30 CCEDLO CC[C@@H](NC(=O)c1cnn(C)c1C#N)c1[nH]cc[nH+]1 ZINC000356755818 535802215 /nfs/dbraw/zinc/80/22/15/535802215.db2.gz HBURXPFNTBFDAW-SECBINFHSA-N 1 2 258.285 0.896 20 30 CCEDLO C#CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000075814636 517306087 /nfs/dbraw/zinc/30/60/87/517306087.db2.gz IWKPNNMELLPSGF-CYBMUJFWSA-N 1 2 283.397 0.127 20 30 CCEDLO N#CC1(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000347451098 534550020 /nfs/dbraw/zinc/55/00/20/534550020.db2.gz BFCLSAPEPIIBTO-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000347451098 534550029 /nfs/dbraw/zinc/55/00/29/534550029.db2.gz BFCLSAPEPIIBTO-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCCSC1 ZINC000330129478 534752514 /nfs/dbraw/zinc/75/25/14/534752514.db2.gz OJJGZFMNGIYAHE-NSHDSACASA-N 1 2 273.402 0.718 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000358398688 534806488 /nfs/dbraw/zinc/80/64/88/534806488.db2.gz BBWQGPLYYBNQMP-CYBMUJFWSA-N 1 2 286.335 0.124 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000358398688 534806492 /nfs/dbraw/zinc/80/64/92/534806492.db2.gz BBWQGPLYYBNQMP-CYBMUJFWSA-N 1 2 286.335 0.124 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000347328065 526477475 /nfs/dbraw/zinc/47/74/75/526477475.db2.gz GIBQPKTXEIESGS-YPMHNXCESA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000347328065 526477481 /nfs/dbraw/zinc/47/74/81/526477481.db2.gz GIBQPKTXEIESGS-YPMHNXCESA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(C)=O)CC2(C)C)C1=O ZINC000334928908 526480999 /nfs/dbraw/zinc/48/09/99/526480999.db2.gz DKUPPTUCMNOQCI-CYBMUJFWSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(C)=O)CC2(C)C)C1=O ZINC000334928908 526481000 /nfs/dbraw/zinc/48/10/00/526481000.db2.gz DKUPPTUCMNOQCI-CYBMUJFWSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2conc2C)CC1 ZINC000350438896 526539584 /nfs/dbraw/zinc/53/95/84/526539584.db2.gz LOBXTECEMORHQQ-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO C=CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000353308042 526583971 /nfs/dbraw/zinc/58/39/71/526583971.db2.gz ADVQYWDJSCQOHQ-NSHDSACASA-N 1 2 263.345 0.984 20 30 CCEDLO N#Cc1ccc(C(=O)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000356154784 526586825 /nfs/dbraw/zinc/58/68/25/526586825.db2.gz BLJORLKKCSSVCT-UHFFFAOYSA-N 1 2 268.276 0.754 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331573404 526604440 /nfs/dbraw/zinc/60/44/40/526604440.db2.gz ZZXVGEATADMQKK-PWSUYJOCSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331573404 526604448 /nfs/dbraw/zinc/60/44/48/526604448.db2.gz ZZXVGEATADMQKK-PWSUYJOCSA-N 1 2 281.356 0.498 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000061708433 526776325 /nfs/dbraw/zinc/77/63/25/526776325.db2.gz XDZPZPQUMYAVHP-SNVBAGLBSA-N 1 2 263.297 0.773 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000061708433 526776335 /nfs/dbraw/zinc/77/63/35/526776335.db2.gz XDZPZPQUMYAVHP-SNVBAGLBSA-N 1 2 263.297 0.773 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000331813661 526901483 /nfs/dbraw/zinc/90/14/83/526901483.db2.gz HAENHQSGAJGWLU-ZFWWWQNUSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000331813661 526901487 /nfs/dbraw/zinc/90/14/87/526901487.db2.gz HAENHQSGAJGWLU-ZFWWWQNUSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294952 527376947 /nfs/dbraw/zinc/37/69/47/527376947.db2.gz WCMADFPODJEHLV-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO CC(C)(C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331564060 527448091 /nfs/dbraw/zinc/44/80/91/527448091.db2.gz YLZVACLLWQFPIL-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668105779 545163868 /nfs/dbraw/zinc/16/38/68/545163868.db2.gz GWKMHQBDZGYXSO-SSDOTTSWSA-N 1 2 263.219 0.609 20 30 CCEDLO C=C[C@](C)(O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000668493365 545179047 /nfs/dbraw/zinc/17/90/47/545179047.db2.gz NJSBCDXZYQBWIV-AWEZNQCLSA-N 1 2 294.355 0.091 20 30 CCEDLO CC1(C)[C@H](O)C[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330266606 527882421 /nfs/dbraw/zinc/88/24/21/527882421.db2.gz HQLMPACGQICFIY-OUAUKWLOSA-N 1 2 278.356 0.861 20 30 CCEDLO CC1(C)[C@H](O)C[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330266606 527882426 /nfs/dbraw/zinc/88/24/26/527882426.db2.gz HQLMPACGQICFIY-OUAUKWLOSA-N 1 2 278.356 0.861 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCNC1=O ZINC000331500170 527916180 /nfs/dbraw/zinc/91/61/80/527916180.db2.gz QSJZHGPUIUFZAL-FZMZJTMJSA-N 1 2 278.356 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCNC1=O ZINC000331500170 527916182 /nfs/dbraw/zinc/91/61/82/527916182.db2.gz QSJZHGPUIUFZAL-FZMZJTMJSA-N 1 2 278.356 0.005 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CCOC1 ZINC000329238015 528527079 /nfs/dbraw/zinc/52/70/79/528527079.db2.gz KTKKEUNKNVMYRY-JSGCOSHPSA-N 1 2 285.388 0.780 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000329238015 528527085 /nfs/dbraw/zinc/52/70/85/528527085.db2.gz KTKKEUNKNVMYRY-JSGCOSHPSA-N 1 2 285.388 0.780 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000349886457 529349027 /nfs/dbraw/zinc/34/90/27/529349027.db2.gz ALNHLLDDTNHEJG-CQSZACIVSA-N 1 2 280.372 0.207 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000263801348 535453831 /nfs/dbraw/zinc/45/38/31/535453831.db2.gz QHOSTMSUVDNRKC-LBPRGKRZSA-N 1 2 273.340 0.339 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000677047073 545357145 /nfs/dbraw/zinc/35/71/45/545357145.db2.gz QZQDILSBBKIZIK-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO COCC#CC[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000677819964 545373557 /nfs/dbraw/zinc/37/35/57/545373557.db2.gz FAJOXIXEYPPTBF-UHFFFAOYSA-N 1 2 252.358 0.967 20 30 CCEDLO COCC#CC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000677819964 545373558 /nfs/dbraw/zinc/37/35/58/545373558.db2.gz FAJOXIXEYPPTBF-UHFFFAOYSA-N 1 2 252.358 0.967 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000679490723 545410350 /nfs/dbraw/zinc/41/03/50/545410350.db2.gz TXXZQRXKVHOLGJ-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO CC[C@H](CO)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000779617660 581194610 /nfs/dbraw/zinc/19/46/10/581194610.db2.gz FJQPZNNSGVZTJV-CYBMUJFWSA-N 1 2 283.372 0.079 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCc1c[nH+]c[nH]1 ZINC000788668516 581121858 /nfs/dbraw/zinc/12/18/58/581121858.db2.gz SMRHTYOHXGBUFO-UHFFFAOYSA-N 1 2 265.313 0.920 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCc1c[nH]c[nH+]1 ZINC000788668516 581121859 /nfs/dbraw/zinc/12/18/59/581121859.db2.gz SMRHTYOHXGBUFO-UHFFFAOYSA-N 1 2 265.313 0.920 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000778209113 581145361 /nfs/dbraw/zinc/14/53/61/581145361.db2.gz IEQBNZMFBAUPAG-UHFFFAOYSA-N 1 2 287.367 0.159 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000790552449 581190405 /nfs/dbraw/zinc/19/04/05/581190405.db2.gz XFPCEETZODJIJN-UHFFFAOYSA-N 1 2 289.383 0.814 20 30 CCEDLO N#Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)nc1 ZINC000780147156 581221810 /nfs/dbraw/zinc/22/18/10/581221810.db2.gz KGSBNPRQIJJVMG-UHFFFAOYSA-N 1 2 289.339 0.085 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCc2ccccc2C(N)=O)CC1 ZINC000792172710 581250622 /nfs/dbraw/zinc/25/06/22/581250622.db2.gz QBPSSZSCFOPEQN-UHFFFAOYSA-N 1 2 299.374 0.496 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC000781559143 581271791 /nfs/dbraw/zinc/27/17/91/581271791.db2.gz FAZPQZUGJXEXBX-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C=O)CC1 ZINC000781559143 581271792 /nfs/dbraw/zinc/27/17/92/581271792.db2.gz FAZPQZUGJXEXBX-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccoc1 ZINC000727253372 581313364 /nfs/dbraw/zinc/31/33/64/581313364.db2.gz AMCDCCNJXUGJPO-UHFFFAOYSA-N 1 2 282.369 0.410 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782619113 581314608 /nfs/dbraw/zinc/31/46/08/581314608.db2.gz RHMQXBWBSXDRHU-DOMZBBRYSA-N 1 2 271.320 0.811 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782619113 581314609 /nfs/dbraw/zinc/31/46/09/581314609.db2.gz RHMQXBWBSXDRHU-DOMZBBRYSA-N 1 2 271.320 0.811 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782621974 581315152 /nfs/dbraw/zinc/31/51/52/581315152.db2.gz NUGSWUGXGZIAAM-SWLSCSKDSA-N 1 2 271.320 0.811 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782621974 581315154 /nfs/dbraw/zinc/31/51/54/581315154.db2.gz NUGSWUGXGZIAAM-SWLSCSKDSA-N 1 2 271.320 0.811 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000782874548 581323922 /nfs/dbraw/zinc/32/39/22/581323922.db2.gz BEXBOMCTBXAQOV-CABCVRRESA-N 1 2 297.358 0.616 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000782874548 581323924 /nfs/dbraw/zinc/32/39/24/581323924.db2.gz BEXBOMCTBXAQOV-CABCVRRESA-N 1 2 297.358 0.616 20 30 CCEDLO N#CCCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000728800002 581371631 /nfs/dbraw/zinc/37/16/31/581371631.db2.gz XUZCNZPSPCJUSH-UHFFFAOYSA-N 1 2 270.402 0.477 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667363 581383011 /nfs/dbraw/zinc/38/30/11/581383011.db2.gz ONIUQGJEHHEIAZ-WFASDCNBSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667363 581383013 /nfs/dbraw/zinc/38/30/13/581383013.db2.gz ONIUQGJEHHEIAZ-WFASDCNBSA-N 1 2 289.335 0.557 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794803967 581388852 /nfs/dbraw/zinc/38/88/52/581388852.db2.gz RULXNTMJAHOQDS-VIFPVBQESA-N 1 2 252.767 0.705 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794803967 581388853 /nfs/dbraw/zinc/38/88/53/581388853.db2.gz RULXNTMJAHOQDS-VIFPVBQESA-N 1 2 252.767 0.705 20 30 CCEDLO C#CCOCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000785165770 581402722 /nfs/dbraw/zinc/40/27/22/581402722.db2.gz ZLXQCNNJFRMHJS-UHFFFAOYSA-N 1 2 275.308 0.403 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000786070825 581429118 /nfs/dbraw/zinc/42/91/18/581429118.db2.gz PQLABHBKDDMFRR-TXEJJXNPSA-N 1 2 275.308 0.906 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000786070825 581429119 /nfs/dbraw/zinc/42/91/19/581429119.db2.gz PQLABHBKDDMFRR-TXEJJXNPSA-N 1 2 275.308 0.906 20 30 CCEDLO C#C[C@H]([NH2+]Cc1oncc1C(=O)OC)[C@@H]1CCCO1 ZINC000796013509 581429974 /nfs/dbraw/zinc/42/99/74/581429974.db2.gz ZTGRPCPTVAAPIP-QWRGUYRKSA-N 1 2 264.281 0.732 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)nc1 ZINC000728859857 581512647 /nfs/dbraw/zinc/51/26/47/581512647.db2.gz DICBONGIKRNKCN-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cn1 ZINC000728866934 581516639 /nfs/dbraw/zinc/51/66/39/581516639.db2.gz ZJYFZCPIBOQYLH-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cn1 ZINC000728866934 581516642 /nfs/dbraw/zinc/51/66/42/581516642.db2.gz ZJYFZCPIBOQYLH-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000753384185 581538629 /nfs/dbraw/zinc/53/86/29/581538629.db2.gz VXDCQXSEDMJBBI-CYBMUJFWSA-N 1 2 276.340 0.879 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000729050005 581544133 /nfs/dbraw/zinc/54/41/33/581544133.db2.gz SMEIUGBPQBWWOD-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000729050005 581544136 /nfs/dbraw/zinc/54/41/36/581544136.db2.gz SMEIUGBPQBWWOD-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO C#CC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000754025542 581571093 /nfs/dbraw/zinc/57/10/93/581571093.db2.gz VROYHNVHZMSHIW-UHFFFAOYSA-N 1 2 265.357 0.022 20 30 CCEDLO C#CC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000754025542 581571096 /nfs/dbraw/zinc/57/10/96/581571096.db2.gz VROYHNVHZMSHIW-UHFFFAOYSA-N 1 2 265.357 0.022 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000767088143 581596076 /nfs/dbraw/zinc/59/60/76/581596076.db2.gz JCXWPCSLTAVBJV-LBPRGKRZSA-N 1 2 272.308 0.217 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000767088143 581596078 /nfs/dbraw/zinc/59/60/78/581596078.db2.gz JCXWPCSLTAVBJV-LBPRGKRZSA-N 1 2 272.308 0.217 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)CC)CC1 ZINC000730294513 581693270 /nfs/dbraw/zinc/69/32/70/581693270.db2.gz ZRTIUJROCOKHOB-GFCCVEGCSA-N 1 2 295.408 0.075 20 30 CCEDLO COCC[N@H+](CCS(N)(=O)=O)Cc1ccc(C#N)cc1 ZINC000740876510 581721965 /nfs/dbraw/zinc/72/19/65/581721965.db2.gz XABASAFGMVBPOP-UHFFFAOYSA-N 1 2 297.380 0.295 20 30 CCEDLO COCC[N@@H+](CCS(N)(=O)=O)Cc1ccc(C#N)cc1 ZINC000740876510 581721967 /nfs/dbraw/zinc/72/19/67/581721967.db2.gz XABASAFGMVBPOP-UHFFFAOYSA-N 1 2 297.380 0.295 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccco1 ZINC000740926174 581723381 /nfs/dbraw/zinc/72/33/81/581723381.db2.gz FBLVGTDBEOJGLK-LLVKDONJSA-N 1 2 279.340 0.518 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000740926174 581723383 /nfs/dbraw/zinc/72/33/83/581723383.db2.gz FBLVGTDBEOJGLK-LLVKDONJSA-N 1 2 279.340 0.518 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2cccnc2)CC1 ZINC000758193853 581726109 /nfs/dbraw/zinc/72/61/09/581726109.db2.gz SHIIOTXOMAGZCF-UHFFFAOYSA-N 1 2 274.393 0.707 20 30 CCEDLO CNC(=O)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758230977 581729702 /nfs/dbraw/zinc/72/97/02/581729702.db2.gz MRVLPLLXRWPEBG-UHFFFAOYSA-N 1 2 288.351 0.526 20 30 CCEDLO C#CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770259063 581737004 /nfs/dbraw/zinc/73/70/04/581737004.db2.gz DRIYPPOSLVWMHT-UHFFFAOYSA-N 1 2 274.324 0.981 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741287328 581743985 /nfs/dbraw/zinc/74/39/85/581743985.db2.gz HSELMUDRAWGSKM-QGZVFWFLSA-N 1 2 258.387 0.475 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000771033250 581784356 /nfs/dbraw/zinc/78/43/56/581784356.db2.gz OFUBELCYMHSXRN-OAHLLOKOSA-N 1 2 285.347 0.610 20 30 CCEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1CCCO1 ZINC000772259275 581849533 /nfs/dbraw/zinc/84/95/33/581849533.db2.gz SIOSIHLXWSADMM-QWRGUYRKSA-N 1 2 257.297 0.956 20 30 CCEDLO C#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000733163095 581868397 /nfs/dbraw/zinc/86/83/97/581868397.db2.gz DVZATMLPYZTYSZ-UHFFFAOYSA-N 1 2 296.334 0.053 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000761752014 581919608 /nfs/dbraw/zinc/91/96/08/581919608.db2.gz KPAZWKSXNNYPRP-UHFFFAOYSA-N 1 2 268.320 0.725 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000746603591 581920209 /nfs/dbraw/zinc/92/02/09/581920209.db2.gz RBSAGLHJXAEXMQ-UHFFFAOYSA-N 1 2 295.346 0.863 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000746657846 581921624 /nfs/dbraw/zinc/92/16/24/581921624.db2.gz PRWMWHKHFORPQR-UHFFFAOYSA-N 1 2 286.379 0.330 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000761906531 581925336 /nfs/dbraw/zinc/92/53/36/581925336.db2.gz CYYQWZIEMUAJJC-AWEZNQCLSA-N 1 2 273.336 0.608 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000761906531 581925337 /nfs/dbraw/zinc/92/53/37/581925337.db2.gz CYYQWZIEMUAJJC-AWEZNQCLSA-N 1 2 273.336 0.608 20 30 CCEDLO N#CCCNC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000773498193 581930003 /nfs/dbraw/zinc/93/00/03/581930003.db2.gz VWOQUAIZLGDOJP-UHFFFAOYSA-N 1 2 287.367 0.229 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)nc2)CC1 ZINC000774874145 581999946 /nfs/dbraw/zinc/99/99/46/581999946.db2.gz NMCBZPXSMQIMPK-UHFFFAOYSA-N 1 2 293.392 0.720 20 30 CCEDLO C[C@]([NH2+]CC(=O)NCCC#N)(C(N)=O)c1ccccc1 ZINC000749397232 582007188 /nfs/dbraw/zinc/00/71/88/582007188.db2.gz XXROLAIPHZWHCJ-CQSZACIVSA-N 1 2 274.324 0.007 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000775331939 582019053 /nfs/dbraw/zinc/01/90/53/582019053.db2.gz WZTNAURTOFEVHQ-AGIUHOORSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787404 582021838 /nfs/dbraw/zinc/02/18/38/582021838.db2.gz MMCQKRVODVNTHL-VIFPVBQESA-N 1 2 263.272 0.601 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000775481748 582026122 /nfs/dbraw/zinc/02/61/22/582026122.db2.gz WHGMBKNTSLXFLH-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@@H]1CCCO1 ZINC000776129775 582053536 /nfs/dbraw/zinc/05/35/36/582053536.db2.gz WBTDHPADIOHUOX-IHRRRGAJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@@H]1CCCO1 ZINC000776129775 582053538 /nfs/dbraw/zinc/05/35/38/582053538.db2.gz WBTDHPADIOHUOX-IHRRRGAJSA-N 1 2 295.383 0.187 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C1CC1 ZINC000750879695 582062647 /nfs/dbraw/zinc/06/26/47/582062647.db2.gz VZJWXOYRYUOARK-IUODEOHRSA-N 1 2 299.378 0.644 20 30 CCEDLO C#C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000776235274 582063557 /nfs/dbraw/zinc/06/35/57/582063557.db2.gz QOHZQVLDQFVCGH-ZIAGYGMSSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000776466263 582074086 /nfs/dbraw/zinc/07/40/86/582074086.db2.gz BPQREDYBSBKQCQ-OLZOCXBDSA-N 1 2 250.342 0.579 20 30 CCEDLO C=CC[N@H+](Cc1nc(N)nc(N(C)C)n1)C(C)C ZINC000751469442 582082529 /nfs/dbraw/zinc/08/25/29/582082529.db2.gz YXBAPQZEOMQZNU-UHFFFAOYSA-N 1 2 250.350 0.916 20 30 CCEDLO C=CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)C(C)C ZINC000751469442 582082531 /nfs/dbraw/zinc/08/25/31/582082531.db2.gz YXBAPQZEOMQZNU-UHFFFAOYSA-N 1 2 250.350 0.916 20 30 CCEDLO CNC(=O)CNC(=S)NN=CCCc1c[nH+]ccc1C ZINC000776729712 582087482 /nfs/dbraw/zinc/08/74/82/582087482.db2.gz MJJSZNKEUHSJKC-UHFFFAOYSA-N 1 2 293.396 0.519 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cn1cnnc1 ZINC000776763044 582089465 /nfs/dbraw/zinc/08/94/65/582089465.db2.gz FHGFZPWTKSTXRU-LLVKDONJSA-N 1 2 284.327 0.108 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cn1cnnc1 ZINC000776763044 582089467 /nfs/dbraw/zinc/08/94/67/582089467.db2.gz FHGFZPWTKSTXRU-LLVKDONJSA-N 1 2 284.327 0.108 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000830891051 613235720 /nfs/dbraw/zinc/23/57/20/613235720.db2.gz BJHNXUZMHMNZJT-DTWKUNHWSA-N 1 2 278.146 0.751 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000830891051 613235723 /nfs/dbraw/zinc/23/57/23/613235723.db2.gz BJHNXUZMHMNZJT-DTWKUNHWSA-N 1 2 278.146 0.751 20 30 CCEDLO C#CCCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000805032595 612984374 /nfs/dbraw/zinc/98/43/74/612984374.db2.gz QABLMAFFCGRIDL-UHFFFAOYSA-N 1 2 267.354 0.826 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000830787299 612998663 /nfs/dbraw/zinc/99/86/63/612998663.db2.gz SCMOIYGUQJPLQP-HZSPNIEDSA-N 1 2 282.384 0.592 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000830787299 612998664 /nfs/dbraw/zinc/99/86/64/612998664.db2.gz SCMOIYGUQJPLQP-HZSPNIEDSA-N 1 2 282.384 0.592 20 30 CCEDLO C#CCSCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890297014 613009057 /nfs/dbraw/zinc/00/90/57/613009057.db2.gz DAOWDNFIWCEEMZ-GFCCVEGCSA-N 1 2 270.398 0.532 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875928395 613034994 /nfs/dbraw/zinc/03/49/94/613034994.db2.gz RCIJFIFCSMAYKJ-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875928395 613034996 /nfs/dbraw/zinc/03/49/96/613034996.db2.gz RCIJFIFCSMAYKJ-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848473512 613054370 /nfs/dbraw/zinc/05/43/70/613054370.db2.gz HDYYTBQGGSNVIO-RWMBFGLXSA-N 1 2 288.413 0.427 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848473512 613054371 /nfs/dbraw/zinc/05/43/71/613054371.db2.gz HDYYTBQGGSNVIO-RWMBFGLXSA-N 1 2 288.413 0.427 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858235805 613064592 /nfs/dbraw/zinc/06/45/92/613064592.db2.gz RRWYQEFYGIHNAY-MGPQQGTHSA-N 1 2 297.399 0.433 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCOCCOCCOC ZINC000852160753 613111800 /nfs/dbraw/zinc/11/18/00/613111800.db2.gz AKKZBKYCCWUUSR-CQSZACIVSA-N 1 2 271.357 0.390 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCOCCOCCOC ZINC000852160753 613111801 /nfs/dbraw/zinc/11/18/01/613111801.db2.gz AKKZBKYCCWUUSR-CQSZACIVSA-N 1 2 271.357 0.390 20 30 CCEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)nc1 ZINC000934348201 617279785 /nfs/dbraw/zinc/27/97/85/617279785.db2.gz CKJCEQIXILSKBD-ZDUSSCGKSA-N 1 2 274.324 0.867 20 30 CCEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)nc1 ZINC000934348201 617279786 /nfs/dbraw/zinc/27/97/86/617279786.db2.gz CKJCEQIXILSKBD-ZDUSSCGKSA-N 1 2 274.324 0.867 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951872634 617290025 /nfs/dbraw/zinc/29/00/25/617290025.db2.gz NDPDBJBNZCGVGP-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+]1CCSCC1 ZINC000887681312 617305361 /nfs/dbraw/zinc/30/53/61/617305361.db2.gz XZXFFKGZWIMLLC-WCQYABFASA-N 1 2 283.397 0.565 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000931145817 612953036 /nfs/dbraw/zinc/95/30/36/612953036.db2.gz GABQVILNSCIFBO-JTQLQIEISA-N 1 2 290.371 0.041 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000886468811 612983575 /nfs/dbraw/zinc/98/35/75/612983575.db2.gz RCFCJXAVLAPKEL-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000886468811 612983577 /nfs/dbraw/zinc/98/35/77/612983577.db2.gz RCFCJXAVLAPKEL-LBPRGKRZSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCOCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000852193048 612989407 /nfs/dbraw/zinc/98/94/07/612989407.db2.gz WXNQKHKJIZNHOP-UHFFFAOYSA-N 1 2 266.297 0.936 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502128 612997526 /nfs/dbraw/zinc/99/75/26/612997526.db2.gz AXWSOCIWTGXXCY-RYUDHWBXSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502128 612997528 /nfs/dbraw/zinc/99/75/28/612997528.db2.gz AXWSOCIWTGXXCY-RYUDHWBXSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862534693 613005868 /nfs/dbraw/zinc/00/58/68/613005868.db2.gz FHRCECHCPLITBY-OAHLLOKOSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862534693 613005869 /nfs/dbraw/zinc/00/58/69/613005869.db2.gz FHRCECHCPLITBY-OAHLLOKOSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000816672552 613027644 /nfs/dbraw/zinc/02/76/44/613027644.db2.gz CRHYATWYKYFZNK-LSDHHAIUSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000863805722 613037308 /nfs/dbraw/zinc/03/73/08/613037308.db2.gz UACLHCOCMQFXIE-RYUDHWBXSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000863801854 613037318 /nfs/dbraw/zinc/03/73/18/613037318.db2.gz GKQXZBMJFOXQPS-RYUDHWBXSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000927461157 613048473 /nfs/dbraw/zinc/04/84/73/613048473.db2.gz JSQSKMRNVDNFRR-NSHDSACASA-N 1 2 272.308 0.663 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858949266 613050816 /nfs/dbraw/zinc/05/08/16/613050816.db2.gz LZGFSTLSLSKWHZ-VXGBXAGGSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000846256631 613068085 /nfs/dbraw/zinc/06/80/85/613068085.db2.gz IJJWTYODYJWIQB-QWRGUYRKSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)OC ZINC000846255148 613068313 /nfs/dbraw/zinc/06/83/13/613068313.db2.gz UCLHDXYVWQKNHX-LBPRGKRZSA-N 1 2 289.335 0.443 20 30 CCEDLO C#C[C@@H](CO)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908620692 613089610 /nfs/dbraw/zinc/08/96/10/613089610.db2.gz RAMHHNOOLCUKIU-AWEZNQCLSA-N 1 2 298.346 0.719 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC000972528716 613093691 /nfs/dbraw/zinc/09/36/91/613093691.db2.gz BCERWVVRYLODEB-JSGCOSHPSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC000972528716 613093692 /nfs/dbraw/zinc/09/36/92/613093692.db2.gz BCERWVVRYLODEB-JSGCOSHPSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819698400 613099135 /nfs/dbraw/zinc/09/91/35/613099135.db2.gz YMJAJDNNLVFHIG-AWEZNQCLSA-N 1 2 281.319 0.469 20 30 CCEDLO C#CC[N@H+](CN1C[C@]2(CCCOC2)C1=O)C(C)C ZINC000902384396 613108019 /nfs/dbraw/zinc/10/80/19/613108019.db2.gz LCDARJDCQAXYLB-AWEZNQCLSA-N 1 2 250.342 0.927 20 30 CCEDLO C#CC[N@@H+](CN1C[C@]2(CCCOC2)C1=O)C(C)C ZINC000902384396 613108022 /nfs/dbraw/zinc/10/80/22/613108022.db2.gz LCDARJDCQAXYLB-AWEZNQCLSA-N 1 2 250.342 0.927 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cccc(OC)c3C2)C1=O ZINC000821771470 613109869 /nfs/dbraw/zinc/10/98/69/613109869.db2.gz ALJFXNTZSUMBFE-AWEZNQCLSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cccc(OC)c3C2)C1=O ZINC000821771470 613109870 /nfs/dbraw/zinc/10/98/70/613109870.db2.gz ALJFXNTZSUMBFE-AWEZNQCLSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC000941555872 613115222 /nfs/dbraw/zinc/11/52/22/613115222.db2.gz RIGNFGFGVVHTPN-GDBMZVCRSA-N 1 2 289.423 0.884 20 30 CCEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)C ZINC000868022051 613130987 /nfs/dbraw/zinc/13/09/87/613130987.db2.gz WBICLGWTZUUSLS-GFUIURDCSA-N 1 2 250.342 0.649 20 30 CCEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000812200563 613137933 /nfs/dbraw/zinc/13/79/33/613137933.db2.gz WJWRPMZVBDNKKJ-QWHCGFSZSA-N 1 2 274.324 0.589 20 30 CCEDLO C#C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000811904845 613141730 /nfs/dbraw/zinc/14/17/30/613141730.db2.gz OIVLXPXGNYPNJE-RYUDHWBXSA-N 1 2 262.313 0.400 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)OC)C1 ZINC000885512681 613175998 /nfs/dbraw/zinc/17/59/98/613175998.db2.gz XWYXAVXFTNHHHN-NWDGAFQWSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)OC)C1 ZINC000885512681 613175999 /nfs/dbraw/zinc/17/59/99/613175999.db2.gz XWYXAVXFTNHHHN-NWDGAFQWSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCC=C)C1 ZINC000885509069 613176040 /nfs/dbraw/zinc/17/60/40/613176040.db2.gz OYGWPGORPUXKBW-CYBMUJFWSA-N 1 2 270.398 0.970 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC=C)C1 ZINC000885509069 613176041 /nfs/dbraw/zinc/17/60/41/613176041.db2.gz OYGWPGORPUXKBW-CYBMUJFWSA-N 1 2 270.398 0.970 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(C)no2)C1 ZINC000885511290 613176081 /nfs/dbraw/zinc/17/60/81/613176081.db2.gz FFTMEHFJYHQYSM-GFCCVEGCSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(C)no2)C1 ZINC000885511290 613176083 /nfs/dbraw/zinc/17/60/83/613176083.db2.gz FFTMEHFJYHQYSM-GFCCVEGCSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(=O)[C@H](C)C2)C1 ZINC000924038374 613182976 /nfs/dbraw/zinc/18/29/76/613182976.db2.gz RSMMRQUNYNPTCJ-OLZOCXBDSA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(=O)[C@H](C)C2)C1 ZINC000924038374 613182977 /nfs/dbraw/zinc/18/29/77/613182977.db2.gz RSMMRQUNYNPTCJ-OLZOCXBDSA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncccc2O)C1 ZINC000923567017 613192350 /nfs/dbraw/zinc/19/23/50/613192350.db2.gz WAQOWBROWXJJGS-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)C1 ZINC000923567017 613192353 /nfs/dbraw/zinc/19/23/53/613192353.db2.gz WAQOWBROWXJJGS-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000923565388 613192503 /nfs/dbraw/zinc/19/25/03/613192503.db2.gz AUEPOXKTUNPXOA-JTQLQIEISA-N 1 2 291.311 0.156 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000923565388 613192505 /nfs/dbraw/zinc/19/25/05/613192505.db2.gz AUEPOXKTUNPXOA-JTQLQIEISA-N 1 2 291.311 0.156 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCOC(C)C)C1 ZINC000885512067 613193218 /nfs/dbraw/zinc/19/32/18/613193218.db2.gz RGIJSJYSBLKXHK-ZDUSSCGKSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCOC(C)C)C1 ZINC000885512067 613193219 /nfs/dbraw/zinc/19/32/19/613193219.db2.gz RGIJSJYSBLKXHK-ZDUSSCGKSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccon2)C1 ZINC000885511577 613193328 /nfs/dbraw/zinc/19/33/28/613193328.db2.gz JZNSXIGNQYIZFE-NSHDSACASA-N 1 2 283.353 0.192 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccon2)C1 ZINC000885511577 613193329 /nfs/dbraw/zinc/19/33/29/613193329.db2.gz JZNSXIGNQYIZFE-NSHDSACASA-N 1 2 283.353 0.192 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(CC)nn1 ZINC000855613907 613199999 /nfs/dbraw/zinc/19/99/99/613199999.db2.gz LYDNBQFEZPETKS-LBPRGKRZSA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(CC)nn1 ZINC000855613907 613200001 /nfs/dbraw/zinc/20/00/01/613200001.db2.gz LYDNBQFEZPETKS-LBPRGKRZSA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCCC1 ZINC000812376009 613200630 /nfs/dbraw/zinc/20/06/30/613200630.db2.gz LMXAOOYKBURXIC-KBPBESRZSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCCC1 ZINC000812376009 613200633 /nfs/dbraw/zinc/20/06/33/613200633.db2.gz LMXAOOYKBURXIC-KBPBESRZSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902040392 613209223 /nfs/dbraw/zinc/20/92/23/613209223.db2.gz CRQFGZQATOBICI-GJZGRUSLSA-N 1 2 291.395 0.222 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972281707 613212391 /nfs/dbraw/zinc/21/23/91/613212391.db2.gz KMKVEFFTWHURBJ-GFCCVEGCSA-N 1 2 290.285 0.875 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972281707 613212392 /nfs/dbraw/zinc/21/23/92/613212392.db2.gz KMKVEFFTWHURBJ-GFCCVEGCSA-N 1 2 290.285 0.875 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532439 613212397 /nfs/dbraw/zinc/21/23/97/613212397.db2.gz RJOZXMJZMQNLNN-CQSZACIVSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532439 613212398 /nfs/dbraw/zinc/21/23/98/613212398.db2.gz RJOZXMJZMQNLNN-CQSZACIVSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972271117 613212610 /nfs/dbraw/zinc/21/26/10/613212610.db2.gz GBNLFPDWZATNBC-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972271117 613212612 /nfs/dbraw/zinc/21/26/12/613212612.db2.gz GBNLFPDWZATNBC-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972391400 613212865 /nfs/dbraw/zinc/21/28/65/613212865.db2.gz MRYOMLPQYBDMSX-OAHLLOKOSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972391400 613212867 /nfs/dbraw/zinc/21/28/67/613212867.db2.gz MRYOMLPQYBDMSX-OAHLLOKOSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940184 613217383 /nfs/dbraw/zinc/21/73/83/613217383.db2.gz CRQRNSYJXKVTNN-NEPJUHHUSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940184 613217384 /nfs/dbraw/zinc/21/73/84/613217384.db2.gz CRQRNSYJXKVTNN-NEPJUHHUSA-N 1 2 273.336 0.861 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC000807164935 613219361 /nfs/dbraw/zinc/21/93/61/613219361.db2.gz CUCBIEILZDGMEA-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC000807164935 613219362 /nfs/dbraw/zinc/21/93/62/613219362.db2.gz CUCBIEILZDGMEA-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000670 613247070 /nfs/dbraw/zinc/24/70/70/613247070.db2.gz QRUMWVLHNMPBOU-JQWIXIFHSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000670 613247071 /nfs/dbraw/zinc/24/70/71/613247071.db2.gz QRUMWVLHNMPBOU-JQWIXIFHSA-N 1 2 275.356 0.115 20 30 CCEDLO C/C(=C\C(=O)N[C@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900432576 613259060 /nfs/dbraw/zinc/25/90/60/613259060.db2.gz FKAHWGIMMOASBA-LMMOQWNQSA-N 1 2 251.330 0.683 20 30 CCEDLO C#CCNc1nc(N(C)[C@H](C)C#C)nc(N(C)[C@H](C)C#C)[nH+]1 ZINC000804660171 613322406 /nfs/dbraw/zinc/32/24/06/613322406.db2.gz FHKMQKPLAJWMNO-CHWSQXEVSA-N 1 2 296.378 0.254 20 30 CCEDLO C#CCNc1nc(N(C)[C@H](C)C#C)[nH+]c(N(C)[C@H](C)C#C)n1 ZINC000804660171 613322408 /nfs/dbraw/zinc/32/24/08/613322408.db2.gz FHKMQKPLAJWMNO-CHWSQXEVSA-N 1 2 296.378 0.254 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000815116304 613325751 /nfs/dbraw/zinc/32/57/51/613325751.db2.gz IHOSSMZYSYCMRD-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000815116304 613325752 /nfs/dbraw/zinc/32/57/52/613325752.db2.gz IHOSSMZYSYCMRD-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000830529994 613328152 /nfs/dbraw/zinc/32/81/52/613328152.db2.gz SRTMZXRHRWXTDC-UHFFFAOYSA-N 1 2 285.347 0.499 20 30 CCEDLO C#CCNC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000830529994 613328154 /nfs/dbraw/zinc/32/81/54/613328154.db2.gz SRTMZXRHRWXTDC-UHFFFAOYSA-N 1 2 285.347 0.499 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830826043 613330525 /nfs/dbraw/zinc/33/05/25/613330525.db2.gz XCJKMPKBBVYFAO-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830826043 613330526 /nfs/dbraw/zinc/33/05/26/613330526.db2.gz XCJKMPKBBVYFAO-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000845594007 613353288 /nfs/dbraw/zinc/35/32/88/613353288.db2.gz ACQCNCXKWNZODG-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000845594007 613353289 /nfs/dbraw/zinc/35/32/89/613353289.db2.gz ACQCNCXKWNZODG-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000849961507 613356726 /nfs/dbraw/zinc/35/67/26/613356726.db2.gz KSIOUJOGAHRMLT-GXTWGEPZSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922737901 613357070 /nfs/dbraw/zinc/35/70/70/613357070.db2.gz VJFGFAUGQVJIJF-DHCBQETCSA-N 1 2 268.357 0.318 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(COC)COC)CC1 ZINC000930708784 613360390 /nfs/dbraw/zinc/36/03/90/613360390.db2.gz UMSZYTAFWTZPNR-CQSZACIVSA-N 1 2 272.389 0.202 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758651 613361600 /nfs/dbraw/zinc/36/16/00/613361600.db2.gz OZUSUUPMQDPSGN-DRZSPHRISA-N 1 2 261.325 0.905 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC000969323511 613371608 /nfs/dbraw/zinc/37/16/08/613371608.db2.gz MEFDCJPJJKVFBX-ZYHUDNBSSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981391849 613373594 /nfs/dbraw/zinc/37/35/94/613373594.db2.gz WAZMDGWMGVXWCB-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000981391849 613373595 /nfs/dbraw/zinc/37/35/95/613373595.db2.gz WAZMDGWMGVXWCB-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216685 613377381 /nfs/dbraw/zinc/37/73/81/613377381.db2.gz PUSIQLAQQXKOKS-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216685 613377382 /nfs/dbraw/zinc/37/73/82/613377382.db2.gz PUSIQLAQQXKOKS-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216685 613377383 /nfs/dbraw/zinc/37/73/83/613377383.db2.gz PUSIQLAQQXKOKS-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216685 613377384 /nfs/dbraw/zinc/37/73/84/613377384.db2.gz PUSIQLAQQXKOKS-WCBMZHEXSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958495118 613380276 /nfs/dbraw/zinc/38/02/76/613380276.db2.gz VHPBASLMAPBMKV-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958495118 613380277 /nfs/dbraw/zinc/38/02/77/613380277.db2.gz VHPBASLMAPBMKV-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2conc2C)C1 ZINC000958366756 613380280 /nfs/dbraw/zinc/38/02/80/613380280.db2.gz UNNSNKAZAAZRQV-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2conc2C)C1 ZINC000958366756 613380281 /nfs/dbraw/zinc/38/02/81/613380281.db2.gz UNNSNKAZAAZRQV-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958495119 613380613 /nfs/dbraw/zinc/38/06/13/613380613.db2.gz VHPBASLMAPBMKV-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958495119 613380614 /nfs/dbraw/zinc/38/06/14/613380614.db2.gz VHPBASLMAPBMKV-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512306 613380727 /nfs/dbraw/zinc/38/07/27/613380727.db2.gz OGSWOMKZFARCCY-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512306 613380728 /nfs/dbraw/zinc/38/07/28/613380728.db2.gz OGSWOMKZFARCCY-JQWIXIFHSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2conc2C)C1 ZINC000958366758 613381390 /nfs/dbraw/zinc/38/13/90/613381390.db2.gz UNNSNKAZAAZRQV-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2conc2C)C1 ZINC000958366758 613381391 /nfs/dbraw/zinc/38/13/91/613381391.db2.gz UNNSNKAZAAZRQV-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000878095035 613410392 /nfs/dbraw/zinc/41/03/92/613410392.db2.gz ZXRSDUNSJCYJES-LLVKDONJSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429464 613411854 /nfs/dbraw/zinc/41/18/54/613411854.db2.gz HLSCGYBTFYIRON-VXGBXAGGSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000878429464 613411858 /nfs/dbraw/zinc/41/18/58/613411858.db2.gz HLSCGYBTFYIRON-VXGBXAGGSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)OC ZINC000878711343 613420345 /nfs/dbraw/zinc/42/03/45/613420345.db2.gz KBKZFXQSRDWHFG-SDDRHHMPSA-N 1 2 257.330 0.481 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868727803 613460136 /nfs/dbraw/zinc/46/01/36/613460136.db2.gz SQTGPNOAKXJNDY-UZBOCLDFSA-N 1 2 280.368 0.725 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928647614 613479073 /nfs/dbraw/zinc/47/90/73/613479073.db2.gz QRGVJFCHNVXINX-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854220552 613485252 /nfs/dbraw/zinc/48/52/52/613485252.db2.gz VTNPCGWOUJNTHS-RYUDHWBXSA-N 1 2 269.345 0.609 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889214 613494631 /nfs/dbraw/zinc/49/46/31/613494631.db2.gz JVBNQSVIAOOALI-OLZOCXBDSA-N 1 2 264.300 0.846 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC000941295846 613529994 /nfs/dbraw/zinc/52/99/94/613529994.db2.gz LNOVGCMYHKEGHN-DZGCQCFKSA-N 1 2 275.396 0.494 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551749 613578166 /nfs/dbraw/zinc/57/81/66/613578166.db2.gz XUCZHWQVIUISGV-NWDGAFQWSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551749 613578169 /nfs/dbraw/zinc/57/81/69/613578169.db2.gz XUCZHWQVIUISGV-NWDGAFQWSA-N 1 2 256.346 0.103 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000957755010 613561698 /nfs/dbraw/zinc/56/16/98/613561698.db2.gz YXZRCFFOTSGPJR-UHFFFAOYSA-N 1 2 274.368 0.520 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccon2)CC1 ZINC000949295912 613561932 /nfs/dbraw/zinc/56/19/32/613561932.db2.gz IDJVLWGFCVAPFB-UHFFFAOYSA-N 1 2 261.325 0.775 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972278805 613570719 /nfs/dbraw/zinc/57/07/19/613570719.db2.gz KJBADFYSIHWHQO-UKRRQHHQSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972278805 613570720 /nfs/dbraw/zinc/57/07/20/613570720.db2.gz KJBADFYSIHWHQO-UKRRQHHQSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC)C2)C1 ZINC000972193633 613570848 /nfs/dbraw/zinc/57/08/48/613570848.db2.gz HTHOXWRAONGTSU-CQSZACIVSA-N 1 2 250.342 0.723 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC)C2)C1 ZINC000972193633 613570852 /nfs/dbraw/zinc/57/08/52/613570852.db2.gz HTHOXWRAONGTSU-CQSZACIVSA-N 1 2 250.342 0.723 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912746806 613577740 /nfs/dbraw/zinc/57/77/40/613577740.db2.gz RVPUSMYGJQOBRL-NWDGAFQWSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912746806 613577742 /nfs/dbraw/zinc/57/77/42/613577742.db2.gz RVPUSMYGJQOBRL-NWDGAFQWSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913467635 613579088 /nfs/dbraw/zinc/57/90/88/613579088.db2.gz HAIYHSDHNDPTLE-OCCSQVGLSA-N 1 2 292.383 0.874 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC3(COC3)O2)nn1 ZINC000900603372 613645196 /nfs/dbraw/zinc/64/51/96/613645196.db2.gz HHEBTSSWIHKZFD-CYBMUJFWSA-N 1 2 276.340 0.339 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccn2)nn1 ZINC000881413079 613645361 /nfs/dbraw/zinc/64/53/61/613645361.db2.gz WUZUHALJJMMDPO-AWEZNQCLSA-N 1 2 271.324 0.520 20 30 CCEDLO C=CC[N@H+](CN1CC(=O)N(C)C1=O)[C@H](C)COC ZINC000853535276 613651465 /nfs/dbraw/zinc/65/14/65/613651465.db2.gz SDQQUFRSVSPLTD-SNVBAGLBSA-N 1 2 255.318 0.361 20 30 CCEDLO C=CC[N@@H+](CN1CC(=O)N(C)C1=O)[C@H](C)COC ZINC000853535276 613651467 /nfs/dbraw/zinc/65/14/67/613651467.db2.gz SDQQUFRSVSPLTD-SNVBAGLBSA-N 1 2 255.318 0.361 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCNC2=O)C1 ZINC000950549403 613655512 /nfs/dbraw/zinc/65/55/12/613655512.db2.gz DFOXCHVDENGKTC-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO Cc1[nH+]c(C(C)N=Nc2ccc(C(N)=O)nn2)cn1C ZINC000800814201 613657130 /nfs/dbraw/zinc/65/71/30/613657130.db2.gz QNFBPXPIMVAQLI-UHFFFAOYSA-N 1 2 273.300 0.454 20 30 CCEDLO Cc1[nH+]c(C(C)N=Nc2nccn(C)c2=O)cn1C ZINC000800814031 613657821 /nfs/dbraw/zinc/65/78/21/613657821.db2.gz OLRBGNXTECGUFF-UHFFFAOYSA-N 1 2 260.301 0.658 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cnn(C)n2)CC1 ZINC000950541342 613707951 /nfs/dbraw/zinc/70/79/51/613707951.db2.gz MTNCJYKFNJJJMN-UHFFFAOYSA-N 1 2 263.345 0.078 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC000948846229 613709796 /nfs/dbraw/zinc/70/97/96/613709796.db2.gz DQDQDIKXPUTKOU-UHFFFAOYSA-N 1 2 262.357 0.845 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)CC1 ZINC000957099713 613712973 /nfs/dbraw/zinc/71/29/73/613712973.db2.gz XCAMGVSUMTYNDJ-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CNC(=O)c3ccccc32)CC1 ZINC000948800920 613713324 /nfs/dbraw/zinc/71/33/24/613713324.db2.gz BRZQQXPNXNYGPT-HNNXBMFYSA-N 1 2 299.374 0.844 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(=O)n(CC)n2)CC1 ZINC000952299812 613715800 /nfs/dbraw/zinc/71/58/00/613715800.db2.gz XLMHKJSJMUYORV-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC000949096643 613717345 /nfs/dbraw/zinc/71/73/45/613717345.db2.gz XNZFWHDMFUISPN-UHFFFAOYSA-N 1 2 286.335 0.520 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000949228727 613717582 /nfs/dbraw/zinc/71/75/82/613717582.db2.gz KEJABWKACSXGDS-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972613166 613726179 /nfs/dbraw/zinc/72/61/79/613726179.db2.gz ACHCTRQRNSSBCI-HZPDHXFCSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972613166 613726182 /nfs/dbraw/zinc/72/61/82/613726182.db2.gz ACHCTRQRNSSBCI-HZPDHXFCSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(N)cn2)C1=O ZINC000873207396 613777248 /nfs/dbraw/zinc/77/72/48/613777248.db2.gz AWUZBWRLWMEMKY-NSHDSACASA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(N)cn2)C1=O ZINC000873207396 613777249 /nfs/dbraw/zinc/77/72/49/613777249.db2.gz AWUZBWRLWMEMKY-NSHDSACASA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879372066 613844928 /nfs/dbraw/zinc/84/49/28/613844928.db2.gz WKRXWXPJWPIXEP-JTQLQIEISA-N 1 2 290.310 0.809 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879372066 613844929 /nfs/dbraw/zinc/84/49/29/613844929.db2.gz WKRXWXPJWPIXEP-JTQLQIEISA-N 1 2 290.310 0.809 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933665764 613845585 /nfs/dbraw/zinc/84/55/85/613845585.db2.gz ICTSEMDTSIJGJB-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933665764 613845586 /nfs/dbraw/zinc/84/55/86/613845586.db2.gz ICTSEMDTSIJGJB-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCc2ccns2)CC1 ZINC000929095384 613845600 /nfs/dbraw/zinc/84/56/00/613845600.db2.gz AATUEPYGZBJQPC-UHFFFAOYSA-N 1 2 294.424 0.605 20 30 CCEDLO C=CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929168654 613854421 /nfs/dbraw/zinc/85/44/21/613854421.db2.gz OENOTHBOLCNAMD-NEPJUHHUSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(C)C1 ZINC000884133873 613877341 /nfs/dbraw/zinc/87/73/41/613877341.db2.gz NNNZTZFZPJDDER-JTQLQIEISA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCOC(C)(C)C1 ZINC000884145999 613877630 /nfs/dbraw/zinc/87/76/30/613877630.db2.gz XJPXETBEVJAZNW-NSHDSACASA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000884313900 613877759 /nfs/dbraw/zinc/87/77/59/613877759.db2.gz SDBPMHBZZPXQSW-NWDGAFQWSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@H]1C ZINC000884138249 613877781 /nfs/dbraw/zinc/87/77/81/613877781.db2.gz INZHHUIHTNUQOG-ZJUUUORDSA-N 1 2 272.370 0.397 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CC)C1 ZINC000884066953 613877795 /nfs/dbraw/zinc/87/77/95/613877795.db2.gz PCSVMJIHTOQJDB-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC1CC1 ZINC000884148033 613878281 /nfs/dbraw/zinc/87/82/81/613878281.db2.gz ZJHBRTAWXTUPCT-NSHDSACASA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc(C)cs1 ZINC000884182990 613878551 /nfs/dbraw/zinc/87/85/51/613878551.db2.gz ZBXGXRHSPNMUDH-VIFPVBQESA-N 1 2 283.353 0.514 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC000884393100 613878617 /nfs/dbraw/zinc/87/86/17/613878617.db2.gz VEUQMFXSTMQKAP-RWMBFGLXSA-N 1 2 298.383 0.897 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccnn1CC1CC1 ZINC000884133721 613878953 /nfs/dbraw/zinc/87/89/53/613878953.db2.gz JKIQYLFTGRWCCB-NSHDSACASA-N 1 2 292.339 0.678 20 30 CCEDLO C=CCOCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992267 613881507 /nfs/dbraw/zinc/88/15/07/613881507.db2.gz ISFMLYMVMZDFGT-UHFFFAOYSA-N 1 2 266.345 0.437 20 30 CCEDLO C=CCONC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000838706922 613883485 /nfs/dbraw/zinc/88/34/85/613883485.db2.gz VXHTTWQYWNTHMP-GFCCVEGCSA-N 1 2 269.345 0.610 20 30 CCEDLO CC(C)CCC[C@@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121308400 614025047 /nfs/dbraw/zinc/02/50/47/614025047.db2.gz KVJCCATZQJWHNJ-LLVKDONJSA-N 1 2 273.377 0.989 20 30 CCEDLO CC(C)(CNC(=O)C#CC1CC1)[NH+]1CCOCC1 ZINC000837312107 614092527 /nfs/dbraw/zinc/09/25/27/614092527.db2.gz HWRYWXFLQUEBPD-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO CCC[C@@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865082701 614970674 /nfs/dbraw/zinc/97/06/74/614970674.db2.gz VPNWKPUYMQSBPC-PYEVWLCESA-N 1 2 251.330 0.683 20 30 CCEDLO CCC[C@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865082699 615033337 /nfs/dbraw/zinc/03/33/37/615033337.db2.gz VPNWKPUYMQSBPC-OGOUPESXSA-N 1 2 251.330 0.683 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779907 615056913 /nfs/dbraw/zinc/05/69/13/615056913.db2.gz ITLUATBGUWTKIE-UHFFFAOYSA-N 1 2 280.353 0.897 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779907 615056915 /nfs/dbraw/zinc/05/69/15/615056915.db2.gz ITLUATBGUWTKIE-UHFFFAOYSA-N 1 2 280.353 0.897 20 30 CCEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000796164832 615063033 /nfs/dbraw/zinc/06/30/33/615063033.db2.gz ZAUWDQDQOVLOPR-GFCCVEGCSA-N 1 2 296.371 0.617 20 30 CCEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000796164832 615063034 /nfs/dbraw/zinc/06/30/34/615063034.db2.gz ZAUWDQDQOVLOPR-GFCCVEGCSA-N 1 2 296.371 0.617 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886134341 615160213 /nfs/dbraw/zinc/16/02/13/615160213.db2.gz PNOSQMPWLVVTAZ-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886134341 615160214 /nfs/dbraw/zinc/16/02/14/615160214.db2.gz PNOSQMPWLVVTAZ-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000933222255 615549935 /nfs/dbraw/zinc/54/99/35/615549935.db2.gz PPJKCIULBJLGOX-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000933222255 615549936 /nfs/dbraw/zinc/54/99/36/615549936.db2.gz PPJKCIULBJLGOX-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000871760098 615569084 /nfs/dbraw/zinc/56/90/84/615569084.db2.gz GJHALKZBSXAEBJ-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000871760098 615569085 /nfs/dbraw/zinc/56/90/85/615569085.db2.gz GJHALKZBSXAEBJ-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870060334 615587978 /nfs/dbraw/zinc/58/79/78/615587978.db2.gz ABIZYCMKIBUOQI-HIFRSBDPSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC#N ZINC000921906554 615716454 /nfs/dbraw/zinc/71/64/54/615716454.db2.gz ORSFXFMRTJOBMJ-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCN(CC#N)CC1 ZINC000948813272 615827322 /nfs/dbraw/zinc/82/73/22/615827322.db2.gz YGPBZLPDRMWQDD-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C#N ZINC000875477391 615925475 /nfs/dbraw/zinc/92/54/75/615925475.db2.gz YLHBCJMUFWNNOC-NEPJUHHUSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C#N ZINC000875477391 615925476 /nfs/dbraw/zinc/92/54/76/615925476.db2.gz YLHBCJMUFWNNOC-NEPJUHHUSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000874704503 615928497 /nfs/dbraw/zinc/92/84/97/615928497.db2.gz LFCXHOSTHJCFKM-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000874704503 615928500 /nfs/dbraw/zinc/92/85/00/615928500.db2.gz LFCXHOSTHJCFKM-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO C[NH+](C)Cc1csc(CNC(=O)NCCC#N)n1 ZINC000922229376 615958196 /nfs/dbraw/zinc/95/81/96/615958196.db2.gz PVOUKWGLHJLQFT-UHFFFAOYSA-N 1 2 267.358 0.918 20 30 CCEDLO C[N@H+](CCCC1(C#N)CCOCC1)C1CS(=O)(=O)C1 ZINC000931236284 616072172 /nfs/dbraw/zinc/07/21/72/616072172.db2.gz XVNNPFRFLCPEQI-UHFFFAOYSA-N 1 2 286.397 0.816 20 30 CCEDLO C[N@@H+](CCCC1(C#N)CCOCC1)C1CS(=O)(=O)C1 ZINC000931236284 616072173 /nfs/dbraw/zinc/07/21/73/616072173.db2.gz XVNNPFRFLCPEQI-UHFFFAOYSA-N 1 2 286.397 0.816 20 30 CCEDLO CN(c1nc(CO[NH+]=C(N)CCO)cs1)C1CC1 ZINC000121315712 616118867 /nfs/dbraw/zinc/11/88/67/616118867.db2.gz KRVVDPNZVRNBTM-UHFFFAOYSA-N 1 2 270.358 0.913 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)C(=O)C(C)(C)C)CC1 ZINC000746229886 616165930 /nfs/dbraw/zinc/16/59/30/616165930.db2.gz PFISKYHCRBGDEE-UHFFFAOYSA-N 1 2 251.330 0.706 20 30 CCEDLO C[NH+]1CCN(N=C2CCCc3c(C#N)c(=O)[nH]cc32)CC1 ZINC000844565523 616246315 /nfs/dbraw/zinc/24/63/15/616246315.db2.gz XJRJBWDFCACSRO-UHFFFAOYSA-N 1 2 285.351 0.947 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882474420 616253516 /nfs/dbraw/zinc/25/35/16/616253516.db2.gz JTVZEUCWMSXRNA-LLVKDONJSA-N 1 2 260.297 0.417 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882474420 616253517 /nfs/dbraw/zinc/25/35/17/616253517.db2.gz JTVZEUCWMSXRNA-LLVKDONJSA-N 1 2 260.297 0.417 20 30 CCEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)OCC(F)(F)F)C1 ZINC000866378066 616262925 /nfs/dbraw/zinc/26/29/25/616262925.db2.gz RKDVVSUKQROJBO-ZETCQYMHSA-N 1 2 277.264 0.226 20 30 CCEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)OCC(F)(F)F)C1 ZINC000866378066 616262926 /nfs/dbraw/zinc/26/29/26/616262926.db2.gz RKDVVSUKQROJBO-ZETCQYMHSA-N 1 2 277.264 0.226 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000921412232 616304350 /nfs/dbraw/zinc/30/43/50/616304350.db2.gz IZELTAZWSCAFCZ-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000921412232 616304353 /nfs/dbraw/zinc/30/43/53/616304353.db2.gz IZELTAZWSCAFCZ-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO COC/C(C)=C/C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000930630226 616372679 /nfs/dbraw/zinc/37/26/79/616372679.db2.gz JDVFEDHOCCYRLX-UUILKARUSA-N 1 2 251.330 0.637 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000921413022 616432478 /nfs/dbraw/zinc/43/24/78/616432478.db2.gz BGOCARRKBIVGBU-LBPRGKRZSA-N 1 2 279.365 0.735 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000921413022 616432480 /nfs/dbraw/zinc/43/24/80/616432480.db2.gz BGOCARRKBIVGBU-LBPRGKRZSA-N 1 2 279.365 0.735 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000871344402 616544814 /nfs/dbraw/zinc/54/48/14/616544814.db2.gz BDTIHKLRAWBROA-JTQLQIEISA-N 1 2 278.312 0.504 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000871344402 616544816 /nfs/dbraw/zinc/54/48/16/616544816.db2.gz BDTIHKLRAWBROA-JTQLQIEISA-N 1 2 278.312 0.504 20 30 CCEDLO CNc1cc(N2CCC(C#N)(C(=O)OC)CC2)nc[nH+]1 ZINC000894066878 617056802 /nfs/dbraw/zinc/05/68/02/617056802.db2.gz GQPJKRWOIYTTPL-UHFFFAOYSA-N 1 2 275.312 0.801 20 30 CCEDLO CNc1cc(N2CCC(C#N)(C(=O)OC)CC2)[nH+]cn1 ZINC000894066878 617056806 /nfs/dbraw/zinc/05/68/06/617056806.db2.gz GQPJKRWOIYTTPL-UHFFFAOYSA-N 1 2 275.312 0.801 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026251894 625374725 /nfs/dbraw/zinc/37/47/25/625374725.db2.gz LLBJIKGSRXNVIK-JHJVBQTASA-N 1 2 287.367 0.692 20 30 CCEDLO COc1nc(N(C)C)sc1C=[NH+]N(C)C[C@@H](C)O ZINC000841655741 625530347 /nfs/dbraw/zinc/53/03/47/625530347.db2.gz NZEMNTACDBODLI-MRVPVSSYSA-N 1 2 272.374 0.864 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000180343327 623591536 /nfs/dbraw/zinc/59/15/36/623591536.db2.gz HTYDTZGRTSZNIE-AWEZNQCLSA-N 1 2 282.384 0.332 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020432287 624475899 /nfs/dbraw/zinc/47/58/99/624475899.db2.gz HUSKRTOOENPZOB-MGPQQGTHSA-N 1 2 294.399 0.248 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020432287 624475901 /nfs/dbraw/zinc/47/59/01/624475901.db2.gz HUSKRTOOENPZOB-MGPQQGTHSA-N 1 2 294.399 0.248 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(CC#N)C1 ZINC000969875547 624551030 /nfs/dbraw/zinc/55/10/30/624551030.db2.gz CSIUFVQILGRORC-MVWJERBFSA-N 1 2 273.340 0.473 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(CC#N)C1 ZINC000969875547 624551034 /nfs/dbraw/zinc/55/10/34/624551034.db2.gz CSIUFVQILGRORC-MVWJERBFSA-N 1 2 273.340 0.473 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000969992452 624569749 /nfs/dbraw/zinc/56/97/49/624569749.db2.gz MLNOEELQVWHALY-VXGBXAGGSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CN(CC#N)C1 ZINC000970147467 624625088 /nfs/dbraw/zinc/62/50/88/624625088.db2.gz WLYUCTNSAPUGKP-LLVKDONJSA-N 1 2 283.335 0.908 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971220522 624828736 /nfs/dbraw/zinc/82/87/36/624828736.db2.gz HPDSDAAEFIZKGK-GHMZBOCLSA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971220522 624828737 /nfs/dbraw/zinc/82/87/37/624828737.db2.gz HPDSDAAEFIZKGK-GHMZBOCLSA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971220525 624828794 /nfs/dbraw/zinc/82/87/94/624828794.db2.gz HPDSDAAEFIZKGK-MNOVXSKESA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971220525 624828795 /nfs/dbraw/zinc/82/87/95/624828795.db2.gz HPDSDAAEFIZKGK-MNOVXSKESA-N 1 2 276.344 0.007 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000306963978 624838623 /nfs/dbraw/zinc/83/86/23/624838623.db2.gz IKPJBVVMEZWODW-DTWKUNHWSA-N 1 2 250.136 0.570 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000306963978 624838625 /nfs/dbraw/zinc/83/86/25/624838625.db2.gz IKPJBVVMEZWODW-DTWKUNHWSA-N 1 2 250.136 0.570 20 30 CCEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000036231456 631407064 /nfs/dbraw/zinc/40/70/64/631407064.db2.gz PGLUVXJCSQSCDK-OAHLLOKOSA-N 1 2 275.352 0.202 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000968359918 650012294 /nfs/dbraw/zinc/01/22/94/650012294.db2.gz DNTLSLQZKHHTGB-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC000937136783 631536456 /nfs/dbraw/zinc/53/64/56/631536456.db2.gz NWGKWOVQIHETDU-KBPBESRZSA-N 1 2 298.346 0.177 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC#N)CC[C@H]1C ZINC000968592734 650021513 /nfs/dbraw/zinc/02/15/13/650021513.db2.gz PKZBAPAFVMIITM-ZWNOBZJWSA-N 1 2 275.356 0.611 20 30 CCEDLO N#CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCSCC1 ZINC000866971531 631693415 /nfs/dbraw/zinc/69/34/15/631693415.db2.gz FJBYJIHNXCIIFK-UPHRSURJSA-N 1 2 295.408 0.780 20 30 CCEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190248541 631920369 /nfs/dbraw/zinc/92/03/69/631920369.db2.gz FJNAKKJXINCRDS-NSHDSACASA-N 1 2 282.303 0.949 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675167 632617830 /nfs/dbraw/zinc/61/78/30/632617830.db2.gz PDNCXUCFMUBZGJ-UHFFFAOYSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000985774741 632638798 /nfs/dbraw/zinc/63/87/98/632638798.db2.gz WYSDIMAOLKLHDM-UHFFFAOYSA-N 1 2 289.383 0.799 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)o1 ZINC000986273944 632738108 /nfs/dbraw/zinc/73/81/08/632738108.db2.gz CVNGFAZBECMTCF-ZWNOBZJWSA-N 1 2 288.351 0.870 20 30 CCEDLO COc1cc(C=NNC(N)=[NH2+])cc([N+](=O)[O-])c1O ZINC000263601530 632951162 /nfs/dbraw/zinc/95/11/62/632951162.db2.gz LFUTWWJHXXEUTE-UHFFFAOYSA-N 1 2 253.218 0.126 20 30 CCEDLO CC(C)(C(=O)N1CCCN(CC#N)CC1)c1c[nH+]c[nH]1 ZINC000989486176 633315902 /nfs/dbraw/zinc/31/59/02/633315902.db2.gz JAOWYSFLQWWTAQ-UHFFFAOYSA-N 1 2 275.356 0.745 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NCC#N)C[C@H]1C ZINC000989726877 633349194 /nfs/dbraw/zinc/34/91/94/633349194.db2.gz QALBPLNCEJNGJB-MWLCHTKSSA-N 1 2 261.329 0.363 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008447816 650115248 /nfs/dbraw/zinc/11/52/48/650115248.db2.gz HYLOKAWXIZEFST-JTQLQIEISA-N 1 2 264.304 0.766 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008447816 650115251 /nfs/dbraw/zinc/11/52/51/650115251.db2.gz HYLOKAWXIZEFST-JTQLQIEISA-N 1 2 264.304 0.766 20 30 CCEDLO N#CC1(C[C@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)CC1 ZINC000899909184 633918858 /nfs/dbraw/zinc/91/88/58/633918858.db2.gz WNFOGIDJXYLWCI-JTQLQIEISA-N 1 2 265.313 0.225 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@H]4C[C@H]4C3=O)C2)nc1 ZINC000902277841 634358855 /nfs/dbraw/zinc/35/88/55/634358855.db2.gz KTGQIWWTNZAZSV-HZSPNIEDSA-N 1 2 298.346 0.842 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@H]4C[C@H]4C3=O)C2)nc1 ZINC000902277841 634358865 /nfs/dbraw/zinc/35/88/65/634358865.db2.gz KTGQIWWTNZAZSV-HZSPNIEDSA-N 1 2 298.346 0.842 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC2CCC1CC2 ZINC000906043914 634952158 /nfs/dbraw/zinc/95/21/58/634952158.db2.gz HNUZGJFWERVDPR-XUJLQICISA-N 1 2 291.395 0.843 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC001010141888 650187140 /nfs/dbraw/zinc/18/71/40/650187140.db2.gz VHYFHSFIVOTLCQ-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC001010141888 650187142 /nfs/dbraw/zinc/18/71/42/650187142.db2.gz VHYFHSFIVOTLCQ-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261318 650195352 /nfs/dbraw/zinc/19/53/52/650195352.db2.gz YYAHSHIYBIJFDM-WDEREUQCSA-N 1 2 274.748 0.345 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261318 650195354 /nfs/dbraw/zinc/19/53/54/650195354.db2.gz YYAHSHIYBIJFDM-WDEREUQCSA-N 1 2 274.748 0.345 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC2(CC2)C1 ZINC000913439566 636806931 /nfs/dbraw/zinc/80/69/31/636806931.db2.gz GCEJYSAEPCBFHC-GFCCVEGCSA-N 1 2 285.351 0.967 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913460494 636813746 /nfs/dbraw/zinc/81/37/46/636813746.db2.gz JTEPVSILDDYPCH-TZMCWYRMSA-N 1 2 275.356 0.833 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525208 636833257 /nfs/dbraw/zinc/83/32/57/636833257.db2.gz NRLVGHIEVBABHN-RISCZKNCSA-N 1 2 274.368 0.757 20 30 CCEDLO C#CCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865773 637231090 /nfs/dbraw/zinc/23/10/90/637231090.db2.gz CBLAGLWZPPGUEF-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CC(C)(C)C#N ZINC000913927145 637470995 /nfs/dbraw/zinc/47/09/95/637470995.db2.gz VZKXNEJSHKYYLH-JTQLQIEISA-N 1 2 270.358 0.741 20 30 CCEDLO C[C@@H](CNC(=O)N1CCC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000914067012 637499949 /nfs/dbraw/zinc/49/99/49/637499949.db2.gz JLHXIRIMVFBGEF-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993336852 637790856 /nfs/dbraw/zinc/79/08/56/637790856.db2.gz VMWJQAYZNLROTD-JQWIXIFHSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993336852 637790859 /nfs/dbraw/zinc/79/08/59/637790859.db2.gz VMWJQAYZNLROTD-JQWIXIFHSA-N 1 2 275.356 0.258 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915826910 637797775 /nfs/dbraw/zinc/79/77/75/637797775.db2.gz FFUFLVPFJQGZBQ-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915826910 637797778 /nfs/dbraw/zinc/79/77/78/637797778.db2.gz FFUFLVPFJQGZBQ-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1CC#N ZINC000994099131 637868779 /nfs/dbraw/zinc/86/87/79/637868779.db2.gz KSRDJAYMUOZKBW-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)CC(C)(C)C#N)c1 ZINC000916231393 637893636 /nfs/dbraw/zinc/89/36/36/637893636.db2.gz QKEURKWZPSUKTO-UHFFFAOYSA-N 1 2 270.358 0.432 20 30 CCEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1ccccc1 ZINC000072807240 638767853 /nfs/dbraw/zinc/76/78/53/638767853.db2.gz IVSYJGJKOORYGJ-UHFFFAOYSA-N 1 2 263.297 0.182 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996996170 638847694 /nfs/dbraw/zinc/84/76/94/638847694.db2.gz OFKAJCFBFOSFDA-GFCCVEGCSA-N 1 2 287.367 0.934 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(NCC#N)CC1 ZINC000997212323 638859745 /nfs/dbraw/zinc/85/97/45/638859745.db2.gz XUYMFRMCCRSQLW-UHFFFAOYSA-N 1 2 261.329 0.365 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014468961 650454714 /nfs/dbraw/zinc/45/47/14/650454714.db2.gz KTTISAGDAKFLPT-SECBINFHSA-N 1 2 265.338 0.589 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001014468961 650454715 /nfs/dbraw/zinc/45/47/15/650454715.db2.gz KTTISAGDAKFLPT-SECBINFHSA-N 1 2 265.338 0.589 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545838 638985299 /nfs/dbraw/zinc/98/52/99/638985299.db2.gz LLAJAEUELAZJQK-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ncn(C)n2)CC1 ZINC001000637331 639144615 /nfs/dbraw/zinc/14/46/15/639144615.db2.gz SHVPSRMGABXCBQ-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ncn(C)n2)CC1 ZINC001000637331 639144620 /nfs/dbraw/zinc/14/46/20/639144620.db2.gz SHVPSRMGABXCBQ-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001015274444 650548296 /nfs/dbraw/zinc/54/82/96/650548296.db2.gz PDGHAXQUZRDMLQ-LLVKDONJSA-N 1 2 289.335 0.211 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001015274444 650548298 /nfs/dbraw/zinc/54/82/98/650548298.db2.gz PDGHAXQUZRDMLQ-LLVKDONJSA-N 1 2 289.335 0.211 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000121360517 640301379 /nfs/dbraw/zinc/30/13/79/640301379.db2.gz MDNORJQXFQRMOT-RYUDHWBXSA-N 1 2 283.372 0.839 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780893111 640423647 /nfs/dbraw/zinc/42/36/47/640423647.db2.gz TXHCFTYNYFGJHH-BXUZGUMPSA-N 1 2 284.319 0.993 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931837 640677006 /nfs/dbraw/zinc/67/70/06/640677006.db2.gz BKDOVVHOENDBRF-CMPLNLGQSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931837 640677009 /nfs/dbraw/zinc/67/70/09/640677009.db2.gz BKDOVVHOENDBRF-CMPLNLGQSA-N 1 2 272.370 0.567 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(CC#N)C1 ZINC001015723636 650616845 /nfs/dbraw/zinc/61/68/45/650616845.db2.gz TXXCPRJZCYRBGP-IJLUTSLNSA-N 1 2 273.340 0.238 20 30 CCEDLO O=C(N[C@H]1CCN(O)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816693583 641196255 /nfs/dbraw/zinc/19/62/55/641196255.db2.gz OBPHFAAZEIQEDK-LBPRGKRZSA-N 1 2 286.291 0.592 20 30 CCEDLO Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C#N)cn1 ZINC000819919541 641440424 /nfs/dbraw/zinc/44/04/24/641440424.db2.gz OUEQSRUCDLMCRX-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000826647996 641948790 /nfs/dbraw/zinc/94/87/90/641948790.db2.gz XPUOCOVOFTUKGZ-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001017408303 650799629 /nfs/dbraw/zinc/79/96/29/650799629.db2.gz AMSBPSNELBMECS-RQJABVFESA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001017408303 650799631 /nfs/dbraw/zinc/79/96/31/650799631.db2.gz AMSBPSNELBMECS-RQJABVFESA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001017476720 650805015 /nfs/dbraw/zinc/80/50/15/650805015.db2.gz UNPKMBUCDRPXHT-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001017476720 650805016 /nfs/dbraw/zinc/80/50/16/650805016.db2.gz UNPKMBUCDRPXHT-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 ZINC001017472154 650804040 /nfs/dbraw/zinc/80/40/40/650804040.db2.gz WRNXIFMNTQCYID-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 ZINC001017472154 650804042 /nfs/dbraw/zinc/80/40/42/650804042.db2.gz WRNXIFMNTQCYID-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccc(C)c1=O ZINC001017550202 650810892 /nfs/dbraw/zinc/81/08/92/650810892.db2.gz UHOFUYREYDKBSG-GASCZTMLSA-N 1 2 299.374 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccc(C)c1=O ZINC001017550202 650810895 /nfs/dbraw/zinc/81/08/95/650810895.db2.gz UHOFUYREYDKBSG-GASCZTMLSA-N 1 2 299.374 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC(=O)N1C ZINC001017787519 650822582 /nfs/dbraw/zinc/82/25/82/650822582.db2.gz HCBXEGNZDLOOAY-MCIONIFRSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC(=O)N1C ZINC001017787519 650822585 /nfs/dbraw/zinc/82/25/85/650822585.db2.gz HCBXEGNZDLOOAY-MCIONIFRSA-N 1 2 289.379 0.306 20 30 CCEDLO N#Cc1ccc(CO[NH+]=C(N)CCO)c([N+](=O)[O-])c1 ZINC000844766008 643246539 /nfs/dbraw/zinc/24/65/39/643246539.db2.gz FJJVIVVBLYCQQD-UHFFFAOYSA-N 1 2 264.241 0.847 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn2ccnc12 ZINC001017964323 650837531 /nfs/dbraw/zinc/83/75/31/650837531.db2.gz ZANKOOMMPLLETC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn2ccnc12 ZINC001017964323 650837533 /nfs/dbraw/zinc/83/75/33/650837533.db2.gz ZANKOOMMPLLETC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nn1 ZINC001018142560 650845208 /nfs/dbraw/zinc/84/52/08/650845208.db2.gz PGHORICWISGMOK-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nn1 ZINC001018142560 650845210 /nfs/dbraw/zinc/84/52/10/650845210.db2.gz PGHORICWISGMOK-TXEJJXNPSA-N 1 2 288.351 0.960 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431830 643962888 /nfs/dbraw/zinc/96/28/88/643962888.db2.gz VCVHTSUJWFRZHD-VXGBXAGGSA-N 1 2 262.313 0.956 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431830 643962890 /nfs/dbraw/zinc/96/28/90/643962890.db2.gz VCVHTSUJWFRZHD-VXGBXAGGSA-N 1 2 262.313 0.956 20 30 CCEDLO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000852840022 644018035 /nfs/dbraw/zinc/01/80/35/644018035.db2.gz IBPBYBSROZEDSG-ZDUSSCGKSA-N 1 2 272.352 0.906 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889127 644573833 /nfs/dbraw/zinc/57/38/33/644573833.db2.gz HKAJYBAKNYGDQQ-LBPRGKRZSA-N 1 2 295.298 0.704 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NCC#N)C1 ZINC001019181733 650944700 /nfs/dbraw/zinc/94/47/00/650944700.db2.gz UAIDUJAPLCQSCL-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO O=S1(=O)CCC[C@@H](NN=C2CC[N@@H+]3CCC[C@H]23)C1 ZINC000863134366 645063160 /nfs/dbraw/zinc/06/31/60/645063160.db2.gz PYTMAONVPLFXGK-ZYHUDNBSSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC[C@@H](NN=C2CC[N@H+]3CCC[C@H]23)C1 ZINC000863134366 645063163 /nfs/dbraw/zinc/06/31/63/645063163.db2.gz PYTMAONVPLFXGK-ZYHUDNBSSA-N 1 2 271.386 0.377 20 30 CCEDLO O=c1ccn(N=C2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]1 ZINC000863184673 645067737 /nfs/dbraw/zinc/06/77/37/645067737.db2.gz OVXVNOCSBJYASL-UHFFFAOYSA-N 1 2 285.307 0.848 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001019642344 650995293 /nfs/dbraw/zinc/99/52/93/650995293.db2.gz LEDRFHJQJLHIDH-LBPRGKRZSA-N 1 2 296.334 0.595 20 30 CCEDLO N#CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCC1 ZINC000865174935 645335627 /nfs/dbraw/zinc/33/56/27/645335627.db2.gz KSPAJFKPHVWDNK-ARJAWSKDSA-N 1 2 263.341 0.827 20 30 CCEDLO C[C@H]([NH2+]CCc1nnnn1C)c1cccc(C#N)c1O ZINC000866288321 645513528 /nfs/dbraw/zinc/51/35/28/645513528.db2.gz GFYGXWYRMZKAFK-VIFPVBQESA-N 1 2 272.312 0.681 20 30 CCEDLO N#CC1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000870066931 645957050 /nfs/dbraw/zinc/95/70/50/645957050.db2.gz IIMFAQUPLDOSBB-CYBMUJFWSA-N 1 2 293.367 0.240 20 30 CCEDLO Cn1c(CC#N)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785873 646323474 /nfs/dbraw/zinc/32/34/74/646323474.db2.gz KHIJIIRXPKBIMY-AOOOYVTPSA-N 1 2 279.369 0.553 20 30 CCEDLO Cn1c(CC#N)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785873 646323475 /nfs/dbraw/zinc/32/34/75/646323475.db2.gz KHIJIIRXPKBIMY-AOOOYVTPSA-N 1 2 279.369 0.553 20 30 CCEDLO C[C@H](C#N)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877321794 646793120 /nfs/dbraw/zinc/79/31/20/646793120.db2.gz SOLUCXCIVKNMPS-SECBINFHSA-N 1 2 253.327 0.583 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)n1 ZINC000877607461 646828197 /nfs/dbraw/zinc/82/81/97/646828197.db2.gz CPKBQDOOXYPODA-GXFFZTMASA-N 1 2 272.308 0.884 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)n1 ZINC000877607461 646828199 /nfs/dbraw/zinc/82/81/99/646828199.db2.gz CPKBQDOOXYPODA-GXFFZTMASA-N 1 2 272.308 0.884 20 30 CCEDLO Cc1ccc(N2CCC[N@H+](CC(N)=O)CC2)c(C#N)n1 ZINC000881832923 647342651 /nfs/dbraw/zinc/34/26/51/647342651.db2.gz ODTHKEOOZVTIPV-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO Cc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c(C#N)n1 ZINC000881832923 647342656 /nfs/dbraw/zinc/34/26/56/647342656.db2.gz ODTHKEOOZVTIPV-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@@]23CCOC3)CCC1 ZINC000886188587 647917086 /nfs/dbraw/zinc/91/70/86/647917086.db2.gz VPAKIZITPWOXPM-ZFWWWQNUSA-N 1 2 280.368 0.923 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@@]23CCOC3)CCC1 ZINC000886188587 647917093 /nfs/dbraw/zinc/91/70/93/647917093.db2.gz VPAKIZITPWOXPM-ZFWWWQNUSA-N 1 2 280.368 0.923 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CC2(O)CCCC2)nn1 ZINC000887454081 648110357 /nfs/dbraw/zinc/11/03/57/648110357.db2.gz MABAVDLATSHKAU-AWEZNQCLSA-N 1 2 292.383 0.447 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CC2(C#N)CCC2)nn1 ZINC000887464526 648112925 /nfs/dbraw/zinc/11/29/25/648112925.db2.gz CCCZNFSQAPCFSK-AWEZNQCLSA-N 1 2 287.367 0.836 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCO)CC2)CCSCC1 ZINC000930035819 648813338 /nfs/dbraw/zinc/81/33/38/648813338.db2.gz QYLWZZAAMLSKCZ-UHFFFAOYSA-N 1 2 283.397 0.160 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(C#N)n2)CCO1 ZINC000931803671 649029410 /nfs/dbraw/zinc/02/94/10/649029410.db2.gz HZEVPYURISTCGW-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#N)n2)CCO1 ZINC000931803671 649029417 /nfs/dbraw/zinc/02/94/17/649029417.db2.gz HZEVPYURISTCGW-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631338 649130999 /nfs/dbraw/zinc/13/09/99/649130999.db2.gz JHTGPKIWRIMUJN-AWEZNQCLSA-N 1 2 298.350 0.698 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631338 649131003 /nfs/dbraw/zinc/13/10/03/649131003.db2.gz JHTGPKIWRIMUJN-AWEZNQCLSA-N 1 2 298.350 0.698 20 30 CCEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)NCC1CC1 ZINC000933648712 649132819 /nfs/dbraw/zinc/13/28/19/649132819.db2.gz HMPQOMKEJPAPRV-UHFFFAOYSA-N 1 2 278.352 0.850 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935014852 649204990 /nfs/dbraw/zinc/20/49/90/649204990.db2.gz FUJOOPLQKXETHY-AWEZNQCLSA-N 1 2 284.363 0.596 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1CC#N ZINC000948086839 649360832 /nfs/dbraw/zinc/36/08/32/649360832.db2.gz UNUGBTCSNHZPKS-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190248558 649439545 /nfs/dbraw/zinc/43/95/45/649439545.db2.gz FJNAKKJXINCRDS-LLVKDONJSA-N 1 2 282.303 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC000950462396 649478198 /nfs/dbraw/zinc/47/81/98/649478198.db2.gz FTVWMSSCKXZNMY-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191467325 649478987 /nfs/dbraw/zinc/47/89/87/649478987.db2.gz PUQSSYOHCAFMGQ-SNVBAGLBSA-N 1 2 291.359 0.421 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000956951091 649728722 /nfs/dbraw/zinc/72/87/22/649728722.db2.gz RCKWAHYYRNTNCD-UHFFFAOYSA-N 1 2 293.367 0.148 20 30 CCEDLO C=CCN(CC[NH+]1CCOCC1)CC(=O)OCC ZINC000096477855 649815051 /nfs/dbraw/zinc/81/50/51/649815051.db2.gz WVUYKCAGGNLKFC-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)CSCC#N)n1 ZINC001266923749 791354486 /nfs/dbraw/zinc/35/44/86/791354486.db2.gz ONGBVTKETDKFOW-QMMMGPOBSA-N 1 2 283.357 0.229 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC)C1=O ZINC001230551247 805620174 /nfs/dbraw/zinc/62/01/74/805620174.db2.gz ATAIJNLNOMGIAD-OLZOCXBDSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC)C1=O ZINC001230551247 805620176 /nfs/dbraw/zinc/62/01/76/805620176.db2.gz ATAIJNLNOMGIAD-OLZOCXBDSA-N 1 2 279.384 0.716 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC001230580115 805627445 /nfs/dbraw/zinc/62/74/45/805627445.db2.gz ULFUSUZLFKVNDS-HNNXBMFYSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC001230580115 805627450 /nfs/dbraw/zinc/62/74/50/805627450.db2.gz ULFUSUZLFKVNDS-HNNXBMFYSA-N 1 2 287.363 0.878 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613342 805633251 /nfs/dbraw/zinc/63/32/51/805633251.db2.gz BGAHVYMTFPVOKB-NEPJUHHUSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613342 805633255 /nfs/dbraw/zinc/63/32/55/805633255.db2.gz BGAHVYMTFPVOKB-NEPJUHHUSA-N 1 2 299.390 0.958 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC001230639736 805638727 /nfs/dbraw/zinc/63/87/27/805638727.db2.gz YQTXMLFCZFPWJV-CYBMUJFWSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC001230639736 805638735 /nfs/dbraw/zinc/63/87/35/805638735.db2.gz YQTXMLFCZFPWJV-CYBMUJFWSA-N 1 2 288.351 0.273 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccccc1C ZINC001266253378 790333234 /nfs/dbraw/zinc/33/32/34/790333234.db2.gz WSSRZVDFAHKZJK-UHFFFAOYSA-N 1 2 289.379 0.959 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccccc1C ZINC001266253378 790333246 /nfs/dbraw/zinc/33/32/46/790333246.db2.gz WSSRZVDFAHKZJK-UHFFFAOYSA-N 1 2 289.379 0.959 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001266262264 790347955 /nfs/dbraw/zinc/34/79/55/790347955.db2.gz LBDAACAYOOWRLL-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001266262264 790347966 /nfs/dbraw/zinc/34/79/66/790347966.db2.gz LBDAACAYOOWRLL-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273051 790376021 /nfs/dbraw/zinc/37/60/21/790376021.db2.gz JQAKJZARVLKMOC-UHFFFAOYSA-N 1 2 293.411 0.753 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273051 790376035 /nfs/dbraw/zinc/37/60/35/790376035.db2.gz JQAKJZARVLKMOC-UHFFFAOYSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266278551 790386336 /nfs/dbraw/zinc/38/63/36/790386336.db2.gz JZCPNDXNDZQBLV-UHFFFAOYSA-N 1 2 266.345 0.030 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266278551 790386346 /nfs/dbraw/zinc/38/63/46/790386346.db2.gz JZCPNDXNDZQBLV-UHFFFAOYSA-N 1 2 266.345 0.030 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001266317316 790494637 /nfs/dbraw/zinc/49/46/37/790494637.db2.gz PUAZKGPBHNHCCL-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001266317316 790494645 /nfs/dbraw/zinc/49/46/45/790494645.db2.gz PUAZKGPBHNHCCL-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319154 790497574 /nfs/dbraw/zinc/49/75/74/790497574.db2.gz HWULGMMEHWLWDP-OCCSQVGLSA-N 1 2 291.395 0.505 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319154 790497587 /nfs/dbraw/zinc/49/75/87/790497587.db2.gz HWULGMMEHWLWDP-OCCSQVGLSA-N 1 2 291.395 0.505 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230651962 805641492 /nfs/dbraw/zinc/64/14/92/805641492.db2.gz SYJBXLHPYJLMBG-CYBMUJFWSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230651962 805641498 /nfs/dbraw/zinc/64/14/98/805641498.db2.gz SYJBXLHPYJLMBG-CYBMUJFWSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001266477988 790773118 /nfs/dbraw/zinc/77/31/18/790773118.db2.gz YGFIIGXBFWZONL-GXTWGEPZSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001266477988 790773123 /nfs/dbraw/zinc/77/31/23/790773123.db2.gz YGFIIGXBFWZONL-GXTWGEPZSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)OC ZINC001266481428 790775906 /nfs/dbraw/zinc/77/59/06/790775906.db2.gz ROFISJSTXALGJS-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)OC ZINC001266481428 790775911 /nfs/dbraw/zinc/77/59/11/790775911.db2.gz ROFISJSTXALGJS-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230705312 805652586 /nfs/dbraw/zinc/65/25/86/805652586.db2.gz KKCLKYMXQOZVPF-NEPJUHHUSA-N 1 2 299.440 0.573 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230705312 805652592 /nfs/dbraw/zinc/65/25/92/805652592.db2.gz KKCLKYMXQOZVPF-NEPJUHHUSA-N 1 2 299.440 0.573 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730286 805657010 /nfs/dbraw/zinc/65/70/10/805657010.db2.gz AJQKDQPXHFTPAK-CQSZACIVSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730286 805657016 /nfs/dbraw/zinc/65/70/16/805657016.db2.gz AJQKDQPXHFTPAK-CQSZACIVSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230816276 805671336 /nfs/dbraw/zinc/67/13/36/805671336.db2.gz ZNQKVBYCQZGAID-LLVKDONJSA-N 1 2 251.355 0.409 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230816276 805671339 /nfs/dbraw/zinc/67/13/39/805671339.db2.gz ZNQKVBYCQZGAID-LLVKDONJSA-N 1 2 251.355 0.409 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231245869 805760206 /nfs/dbraw/zinc/76/02/06/805760206.db2.gz BPHUNOKOVGDLDO-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231245869 805760209 /nfs/dbraw/zinc/76/02/09/805760209.db2.gz BPHUNOKOVGDLDO-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001277659814 805931922 /nfs/dbraw/zinc/93/19/22/805931922.db2.gz LCNCBGXHZFVLLN-UHFFFAOYSA-N 1 2 277.372 0.846 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001232674071 805966808 /nfs/dbraw/zinc/96/68/08/805966808.db2.gz RJADCJYXQKKYAH-GXTWGEPZSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001232674071 805966811 /nfs/dbraw/zinc/96/68/11/805966811.db2.gz RJADCJYXQKKYAH-GXTWGEPZSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001233047592 806012474 /nfs/dbraw/zinc/01/24/74/806012474.db2.gz DKJITBNVACRXPT-UHFFFAOYSA-N 1 2 286.335 0.905 20 30 CCEDLO COCC#CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001266706464 791161581 /nfs/dbraw/zinc/16/15/81/791161581.db2.gz PMMWRNLAPHAWDM-VIFPVBQESA-N 1 2 284.253 0.585 20 30 CCEDLO COCC#CC[NH2+]CCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001266706464 791161587 /nfs/dbraw/zinc/16/15/87/791161587.db2.gz PMMWRNLAPHAWDM-VIFPVBQESA-N 1 2 284.253 0.585 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386788 806052430 /nfs/dbraw/zinc/05/24/30/806052430.db2.gz ISOXATNSPPHCQR-SNVBAGLBSA-N 1 2 259.309 0.926 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213356825 791370870 /nfs/dbraw/zinc/37/08/70/791370870.db2.gz BPAKFLLDSHQXSL-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213356825 791370875 /nfs/dbraw/zinc/37/08/75/791370875.db2.gz BPAKFLLDSHQXSL-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1CC=CC1 ZINC001267189845 791647758 /nfs/dbraw/zinc/64/77/58/791647758.db2.gz WNCWRRFZQYHINB-UHFFFAOYSA-N 1 2 265.357 0.303 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC=CC1 ZINC001267189845 791647760 /nfs/dbraw/zinc/64/77/60/791647760.db2.gz WNCWRRFZQYHINB-UHFFFAOYSA-N 1 2 265.357 0.303 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCNC(=O)C#CC(C)C)cn1 ZINC001267195306 791655561 /nfs/dbraw/zinc/65/55/61/791655561.db2.gz VIJPZBZJLQZGFL-UHFFFAOYSA-N 1 2 274.368 0.992 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCNC(=O)C#CC(C)C)cn1 ZINC001267195306 791655565 /nfs/dbraw/zinc/65/55/65/791655565.db2.gz VIJPZBZJLQZGFL-UHFFFAOYSA-N 1 2 274.368 0.992 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C/C=C(\C)C=C ZINC001267212109 791679291 /nfs/dbraw/zinc/67/92/91/791679291.db2.gz KXTATWHIHQHYMQ-NTUHNPAUSA-N 1 2 277.368 0.306 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C/C=C(\C)C=C ZINC001267212109 791679295 /nfs/dbraw/zinc/67/92/95/791679295.db2.gz KXTATWHIHQHYMQ-NTUHNPAUSA-N 1 2 277.368 0.306 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)CC=C ZINC001267218860 791690917 /nfs/dbraw/zinc/69/09/17/791690917.db2.gz HQDKYZTYIRYJBG-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)CC=C ZINC001267218860 791690924 /nfs/dbraw/zinc/69/09/24/791690924.db2.gz HQDKYZTYIRYJBG-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001233966447 806159409 /nfs/dbraw/zinc/15/94/09/806159409.db2.gz MBGYUCUXDXUHIP-AWEZNQCLSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001233966447 806159412 /nfs/dbraw/zinc/15/94/12/806159412.db2.gz MBGYUCUXDXUHIP-AWEZNQCLSA-N 1 2 293.411 0.847 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052803 806174595 /nfs/dbraw/zinc/17/45/95/806174595.db2.gz ZVNAZJQHFMEPRJ-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052803 806174597 /nfs/dbraw/zinc/17/45/97/806174597.db2.gz ZVNAZJQHFMEPRJ-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234604159 806285006 /nfs/dbraw/zinc/28/50/06/806285006.db2.gz MLBKEDUJYUWQJP-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234604159 806285012 /nfs/dbraw/zinc/28/50/12/806285012.db2.gz MLBKEDUJYUWQJP-ZDUSSCGKSA-N 1 2 281.400 0.964 20 30 CCEDLO COCCOCN1CCO[C@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277938614 806409868 /nfs/dbraw/zinc/40/98/68/806409868.db2.gz CHZACLSAKPXOBX-HNNXBMFYSA-N 1 2 297.399 0.687 20 30 CCEDLO COCCOCN1CCO[C@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277938614 806409873 /nfs/dbraw/zinc/40/98/73/806409873.db2.gz CHZACLSAKPXOBX-HNNXBMFYSA-N 1 2 297.399 0.687 20 30 CCEDLO N#Cc1cc(F)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(F)c1 ZINC001235650499 806482910 /nfs/dbraw/zinc/48/29/10/806482910.db2.gz FVFDGLSMANDEMJ-NOZJJQNGSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(F)c1 ZINC001235650499 806482916 /nfs/dbraw/zinc/48/29/16/806482916.db2.gz FVFDGLSMANDEMJ-NOZJJQNGSA-N 1 2 268.263 0.621 20 30 CCEDLO C=C(C)CCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001120767897 798932414 /nfs/dbraw/zinc/93/24/14/798932414.db2.gz PATPVMMSOKKPEP-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001121502270 799053883 /nfs/dbraw/zinc/05/38/83/799053883.db2.gz SDCUDICUPUDZPL-JHJVBQTASA-N 1 2 289.383 0.545 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001121502270 799053887 /nfs/dbraw/zinc/05/38/87/799053887.db2.gz SDCUDICUPUDZPL-JHJVBQTASA-N 1 2 289.383 0.545 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001124133220 799563546 /nfs/dbraw/zinc/56/35/46/799563546.db2.gz LLKVUFQJWYDWOD-LBPRGKRZSA-N 1 2 261.325 0.554 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CCN(C(N)=O)CC2)cc1 ZINC001138559031 799739262 /nfs/dbraw/zinc/73/92/62/799739262.db2.gz MBCYBZYSDHBZRS-UHFFFAOYSA-N 1 2 273.336 0.895 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)nn1C ZINC001206639664 800410214 /nfs/dbraw/zinc/41/02/14/800410214.db2.gz ARHKFBHFDLCAMK-JTNHKYCSSA-N 1 2 289.383 0.825 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)nn1C ZINC001206639664 800410218 /nfs/dbraw/zinc/41/02/18/800410218.db2.gz ARHKFBHFDLCAMK-JTNHKYCSSA-N 1 2 289.383 0.825 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092378 800718901 /nfs/dbraw/zinc/71/89/01/800718901.db2.gz GAOLWTBHJGYRMC-OLZOCXBDSA-N 1 2 289.383 0.796 20 30 CCEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)CSCC#N)no1 ZINC001154814443 800850794 /nfs/dbraw/zinc/85/07/94/800850794.db2.gz JCHPDQQORKPNOZ-VIFPVBQESA-N 1 2 297.384 0.792 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)CCO1 ZINC001156969332 801275656 /nfs/dbraw/zinc/27/56/56/801275656.db2.gz DAWAWNCOSDEMRM-VIFPVBQESA-N 1 2 271.280 0.510 20 30 CCEDLO COCC#CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158479706 801657024 /nfs/dbraw/zinc/65/70/24/801657024.db2.gz PYJMNSXQVSDUNX-VIFPVBQESA-N 1 2 284.253 0.633 20 30 CCEDLO COCC#CC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158479706 801657026 /nfs/dbraw/zinc/65/70/26/801657026.db2.gz PYJMNSXQVSDUNX-VIFPVBQESA-N 1 2 284.253 0.633 20 30 CCEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1cnn[nH]1 ZINC001158491301 801658110 /nfs/dbraw/zinc/65/81/10/801658110.db2.gz MYVCURDUHYDOSV-CQSZACIVSA-N 1 2 289.383 0.683 20 30 CCEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1cnn[nH]1 ZINC001158491301 801658115 /nfs/dbraw/zinc/65/81/15/801658115.db2.gz MYVCURDUHYDOSV-CQSZACIVSA-N 1 2 289.383 0.683 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1 ZINC001159587203 801836211 /nfs/dbraw/zinc/83/62/11/801836211.db2.gz KQLHDQXRUPNWHP-NSHDSACASA-N 1 2 289.339 0.868 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC001159587203 801836219 /nfs/dbraw/zinc/83/62/19/801836219.db2.gz KQLHDQXRUPNWHP-NSHDSACASA-N 1 2 289.339 0.868 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ccc(CC#N)c(C)n1 ZINC001161949621 802255616 /nfs/dbraw/zinc/25/56/16/802255616.db2.gz AWEFLDQSLPBNIS-LLVKDONJSA-N 1 2 262.313 0.758 20 30 CCEDLO C[C@@H](CC(=O)N(C)C[C@@H]1CCN1CC#N)n1cc[nH+]c1 ZINC001264372480 809645474 /nfs/dbraw/zinc/64/54/74/809645474.db2.gz GFZQJXVZNCKSGB-STQMWFEESA-N 1 2 275.356 0.890 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(C(N)=O)c(Cl)cn1 ZINC001164641264 802774385 /nfs/dbraw/zinc/77/43/85/802774385.db2.gz JLAYESOBLMLYQQ-SSDOTTSWSA-N 1 2 265.704 0.136 20 30 CCEDLO CCN(C(=O)CC1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267780943 811782084 /nfs/dbraw/zinc/78/20/84/811782084.db2.gz YIHGQLNSYIRQQW-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C(=O)CC1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267780943 811782089 /nfs/dbraw/zinc/78/20/89/811782089.db2.gz YIHGQLNSYIRQQW-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207680285 803436207 /nfs/dbraw/zinc/43/62/07/803436207.db2.gz LFLMVSWFYBTLBY-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001208763698 803544693 /nfs/dbraw/zinc/54/46/93/803544693.db2.gz PFWSONGEYIKSRY-DGCLKSJQSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001208763698 803544695 /nfs/dbraw/zinc/54/46/95/803544695.db2.gz PFWSONGEYIKSRY-DGCLKSJQSA-N 1 2 275.356 0.197 20 30 CCEDLO CCOC(=O)CC[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001209037579 803567673 /nfs/dbraw/zinc/56/76/73/803567673.db2.gz SZOHURZNSLMALT-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 ZINC001213757928 803702640 /nfs/dbraw/zinc/70/26/40/803702640.db2.gz YCACYCZZGAZXJJ-CHWSQXEVSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 ZINC001213757928 803702642 /nfs/dbraw/zinc/70/26/42/803702642.db2.gz YCACYCZZGAZXJJ-CHWSQXEVSA-N 1 2 282.384 0.498 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217503151 803892493 /nfs/dbraw/zinc/89/24/93/803892493.db2.gz AFFSZWWIGJBUAK-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217503151 803892498 /nfs/dbraw/zinc/89/24/98/803892498.db2.gz AFFSZWWIGJBUAK-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CSC)[C@H]2C1 ZINC001217537842 803896089 /nfs/dbraw/zinc/89/60/89/803896089.db2.gz KTAOVONEVPOWSF-FRRDWIJNSA-N 1 2 282.409 0.530 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CSC)[C@H]2C1 ZINC001217537842 803896094 /nfs/dbraw/zinc/89/60/94/803896094.db2.gz KTAOVONEVPOWSF-FRRDWIJNSA-N 1 2 282.409 0.530 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1[nH]c(C)c(C)c1C#N ZINC001218556713 804004232 /nfs/dbraw/zinc/00/42/32/804004232.db2.gz XNOPNLIWUZXQND-VIFPVBQESA-N 1 2 264.285 0.332 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCC)[C@@H](O)C1 ZINC001219322214 804270463 /nfs/dbraw/zinc/27/04/63/804270463.db2.gz PBSNYIOWSHCDDQ-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCC)[C@@H](O)C1 ZINC001219322214 804270466 /nfs/dbraw/zinc/27/04/66/804270466.db2.gz PBSNYIOWSHCDDQ-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219378975 804289760 /nfs/dbraw/zinc/28/97/60/804289760.db2.gz KHVXNVXYXLJBFH-WQAKAFBOSA-N 1 2 292.339 0.058 20 30 CCEDLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219378975 804289762 /nfs/dbraw/zinc/28/97/62/804289762.db2.gz KHVXNVXYXLJBFH-WQAKAFBOSA-N 1 2 292.339 0.058 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)OCC ZINC001219726193 804414055 /nfs/dbraw/zinc/41/40/55/804414055.db2.gz RSLCSLWKKCKSKZ-AGIUHOORSA-N 1 2 288.363 0.489 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)OCC ZINC001219726193 804414058 /nfs/dbraw/zinc/41/40/58/804414058.db2.gz RSLCSLWKKCKSKZ-AGIUHOORSA-N 1 2 288.363 0.489 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220133977 804508452 /nfs/dbraw/zinc/50/84/52/804508452.db2.gz UJJNXTLHRNATOH-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220133977 804508458 /nfs/dbraw/zinc/50/84/58/804508458.db2.gz UJJNXTLHRNATOH-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221223717 804750669 /nfs/dbraw/zinc/75/06/69/804750669.db2.gz HPHBJNVRXJGPRN-VXGBXAGGSA-N 1 2 297.374 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221223717 804750673 /nfs/dbraw/zinc/75/06/73/804750673.db2.gz HPHBJNVRXJGPRN-VXGBXAGGSA-N 1 2 297.374 0.569 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 ZINC001221322451 804776762 /nfs/dbraw/zinc/77/67/62/804776762.db2.gz ZTCRBJQONBLKTJ-TZMCWYRMSA-N 1 2 289.335 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 ZINC001221322451 804776766 /nfs/dbraw/zinc/77/67/66/804776766.db2.gz ZTCRBJQONBLKTJ-TZMCWYRMSA-N 1 2 289.335 0.471 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446294 804818221 /nfs/dbraw/zinc/81/82/21/804818221.db2.gz DJCDITYHVKSGQC-YNEHKIRRSA-N 1 2 292.383 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446294 804818222 /nfs/dbraw/zinc/81/82/22/804818222.db2.gz DJCDITYHVKSGQC-YNEHKIRRSA-N 1 2 292.383 0.203 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(=O)NC)[C@@H]2C1 ZINC001221503328 804826732 /nfs/dbraw/zinc/82/67/32/804826732.db2.gz MOMDZBBVIWEEHY-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(=O)NC)[C@@H]2C1 ZINC001221503328 804826740 /nfs/dbraw/zinc/82/67/40/804826740.db2.gz MOMDZBBVIWEEHY-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC001221769734 804843816 /nfs/dbraw/zinc/84/38/16/804843816.db2.gz SKWZBYJMCRSKNT-UHFFFAOYSA-N 1 2 253.346 0.679 20 30 CCEDLO C=C1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC001221769734 804843824 /nfs/dbraw/zinc/84/38/24/804843824.db2.gz SKWZBYJMCRSKNT-UHFFFAOYSA-N 1 2 253.346 0.679 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276842836 804936506 /nfs/dbraw/zinc/93/65/06/804936506.db2.gz ROONNCSVTKXKGU-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276842836 804936510 /nfs/dbraw/zinc/93/65/10/804936510.db2.gz ROONNCSVTKXKGU-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CC[NH2+]C1(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001277020058 805107550 /nfs/dbraw/zinc/10/75/50/805107550.db2.gz KXPPXHLEPCGZKV-UHFFFAOYSA-N 1 2 260.341 0.902 20 30 CCEDLO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)nn1C ZINC001226625495 805258729 /nfs/dbraw/zinc/25/87/29/805258729.db2.gz KVKJFUMBAZNRDD-NSHDSACASA-N 1 2 289.383 0.969 20 30 CCEDLO CSc1ncc(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001228681832 805469726 /nfs/dbraw/zinc/46/97/26/805469726.db2.gz PMKYJBXRTJWPHL-JTQLQIEISA-N 1 2 280.353 0.780 20 30 CCEDLO CSc1ncc(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001228681832 805469727 /nfs/dbraw/zinc/46/97/27/805469727.db2.gz PMKYJBXRTJWPHL-JTQLQIEISA-N 1 2 280.353 0.780 20 30 CCEDLO Cc1nc[nH]c1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278355734 807022271 /nfs/dbraw/zinc/02/22/71/807022271.db2.gz XDMGJGYHLCDULP-ZDUSSCGKSA-N 1 2 299.378 0.912 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C#N)cn2)no1 ZINC001247631147 807473990 /nfs/dbraw/zinc/47/39/90/807473990.db2.gz FKKDUOQPJOXKJQ-QMMMGPOBSA-N 1 2 273.252 0.046 20 30 CCEDLO N#Cc1ccn2ncc(C[N@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC001249075696 807539690 /nfs/dbraw/zinc/53/96/90/807539690.db2.gz OQENCRHKOUBCNU-LBPRGKRZSA-N 1 2 269.308 0.656 20 30 CCEDLO N#Cc1ccn2ncc(C[N@@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC001249075696 807539692 /nfs/dbraw/zinc/53/96/92/807539692.db2.gz OQENCRHKOUBCNU-LBPRGKRZSA-N 1 2 269.308 0.656 20 30 CCEDLO N#Cc1ccn2ncc(C[N@@H+]3CCn4nncc4C3)c2c1 ZINC001249113674 807542817 /nfs/dbraw/zinc/54/28/17/807542817.db2.gz MWEJXAWVTOXEDE-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO N#Cc1ccn2ncc(C[N@H+]3CCn4nncc4C3)c2c1 ZINC001249113674 807542824 /nfs/dbraw/zinc/54/28/24/807542824.db2.gz MWEJXAWVTOXEDE-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126815325 815131413 /nfs/dbraw/zinc/13/14/13/815131413.db2.gz AHWYDFTUDALAEK-UHFFFAOYSA-N 1 2 264.329 0.497 20 30 CCEDLO N#Cc1ccsc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251003774 807635027 /nfs/dbraw/zinc/63/50/27/807635027.db2.gz OXCMAVDZNHIVPU-LLVKDONJSA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1ccc(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251026330 807646738 /nfs/dbraw/zinc/64/67/38/807646738.db2.gz FQPMAAZKDYQZBJ-CYBMUJFWSA-N 1 2 279.315 0.802 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251852019 807721608 /nfs/dbraw/zinc/72/16/08/807721608.db2.gz YHVCQEZRXSCNEN-HIFRSBDPSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251852019 807721611 /nfs/dbraw/zinc/72/16/11/807721611.db2.gz YHVCQEZRXSCNEN-HIFRSBDPSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001251863755 807727809 /nfs/dbraw/zinc/72/78/09/807727809.db2.gz LSCZOSDOQPPKKQ-GFCCVEGCSA-N 1 2 259.309 0.996 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC(C)(C)O ZINC001252350019 807811697 /nfs/dbraw/zinc/81/16/97/807811697.db2.gz IZCGVQBMZRUKNB-GFCCVEGCSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC(C)(C)O ZINC001252350019 807811705 /nfs/dbraw/zinc/81/17/05/807811705.db2.gz IZCGVQBMZRUKNB-GFCCVEGCSA-N 1 2 280.372 0.688 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592651 808264184 /nfs/dbraw/zinc/26/41/84/808264184.db2.gz DWXGSYYNXIRYOS-ZIAGYGMSSA-N 1 2 272.308 0.859 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001278863226 808351450 /nfs/dbraw/zinc/35/14/50/808351450.db2.gz JDYQVUIRKQCWDN-UHFFFAOYSA-N 1 2 262.353 0.222 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001083523770 815208456 /nfs/dbraw/zinc/20/84/56/815208456.db2.gz ROJWMSBAVAMBLC-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001083523770 815208461 /nfs/dbraw/zinc/20/84/61/815208461.db2.gz ROJWMSBAVAMBLC-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO N#CCC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC001256461543 808529565 /nfs/dbraw/zinc/52/95/65/808529565.db2.gz YHKHZUSBJQWGGB-UHFFFAOYSA-N 1 2 261.329 0.934 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001258270060 808667786 /nfs/dbraw/zinc/66/77/86/808667786.db2.gz SSRGTZUQKFCXTC-LBPRGKRZSA-N 1 2 254.330 0.122 20 30 CCEDLO N#CCSCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001262185494 809230843 /nfs/dbraw/zinc/23/08/43/809230843.db2.gz QOQHLFNYGBIXEN-SNVBAGLBSA-N 1 2 265.342 0.139 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001262199672 809238155 /nfs/dbraw/zinc/23/81/55/809238155.db2.gz VWOQOOQHTHBQPH-OLZOCXBDSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001262199672 809238158 /nfs/dbraw/zinc/23/81/58/809238158.db2.gz VWOQOOQHTHBQPH-OLZOCXBDSA-N 1 2 295.383 0.984 20 30 CCEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076296718 815274352 /nfs/dbraw/zinc/27/43/52/815274352.db2.gz QVEWOYMMSQVUEE-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H](NCC#N)C1 ZINC001263849230 809586539 /nfs/dbraw/zinc/58/65/39/809586539.db2.gz AUXBTSQAMWGKSW-TXEJJXNPSA-N 1 2 275.356 0.361 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896379 809601990 /nfs/dbraw/zinc/60/19/90/809601990.db2.gz XEGRFVWIRDKXSF-JQWIXIFHSA-N 1 2 278.356 0.785 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896379 809601993 /nfs/dbraw/zinc/60/19/93/809601993.db2.gz XEGRFVWIRDKXSF-JQWIXIFHSA-N 1 2 278.356 0.785 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CC(C)(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001264131103 809632912 /nfs/dbraw/zinc/63/29/12/809632912.db2.gz YSWABPZFNUSVIR-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CC(C)(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001264131103 809632914 /nfs/dbraw/zinc/63/29/14/809632914.db2.gz YSWABPZFNUSVIR-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001264366326 809643606 /nfs/dbraw/zinc/64/36/06/809643606.db2.gz AZICURGXZOMKCC-KGLIPLIRSA-N 1 2 293.411 0.977 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001264366326 809643610 /nfs/dbraw/zinc/64/36/10/809643610.db2.gz AZICURGXZOMKCC-KGLIPLIRSA-N 1 2 293.411 0.977 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001265213763 809727015 /nfs/dbraw/zinc/72/70/15/809727015.db2.gz YFGONSAGFIHMDS-GFCCVEGCSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001265213763 809727019 /nfs/dbraw/zinc/72/70/19/809727019.db2.gz YFGONSAGFIHMDS-GFCCVEGCSA-N 1 2 297.399 0.030 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001265226727 809728086 /nfs/dbraw/zinc/72/80/86/809728086.db2.gz JDTIZDHZZFIMTC-NEPJUHHUSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001265226727 809728089 /nfs/dbraw/zinc/72/80/89/809728089.db2.gz JDTIZDHZZFIMTC-NEPJUHHUSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001265262910 809734950 /nfs/dbraw/zinc/73/49/50/809734950.db2.gz MQVGAGRXQZUWIK-CHWSQXEVSA-N 1 2 282.363 0.382 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265283869 809746690 /nfs/dbraw/zinc/74/66/90/809746690.db2.gz JLEQLUUPWTYZHG-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265283869 809746692 /nfs/dbraw/zinc/74/66/92/809746692.db2.gz JLEQLUUPWTYZHG-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001265821202 809864186 /nfs/dbraw/zinc/86/41/86/809864186.db2.gz OQCCSVNVCUIEKB-SNVBAGLBSA-N 1 2 293.371 0.059 20 30 CCEDLO C[N@H+](CCCNC(=O)c1ncn[nH]1)Cc1ccccc1C#N ZINC001265940846 809900251 /nfs/dbraw/zinc/90/02/51/809900251.db2.gz NAAIMPRTUALWLG-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1ncn[nH]1)Cc1ccccc1C#N ZINC001265940846 809900253 /nfs/dbraw/zinc/90/02/53/809900253.db2.gz NAAIMPRTUALWLG-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[N@H+](CCCNC(=O)c1nc[nH]n1)Cc1ccccc1C#N ZINC001265940846 809900257 /nfs/dbraw/zinc/90/02/57/809900257.db2.gz NAAIMPRTUALWLG-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1nc[nH]n1)Cc1ccccc1C#N ZINC001265940846 809900260 /nfs/dbraw/zinc/90/02/60/809900260.db2.gz NAAIMPRTUALWLG-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001280403041 810014288 /nfs/dbraw/zinc/01/42/88/810014288.db2.gz QRXAOBFPVQRXTI-QWHCGFSZSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001280403041 810014291 /nfs/dbraw/zinc/01/42/91/810014291.db2.gz QRXAOBFPVQRXTI-QWHCGFSZSA-N 1 2 293.371 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](O)C1 ZINC001083554530 815382573 /nfs/dbraw/zinc/38/25/73/815382573.db2.gz KVRVEGXMAGMQSL-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](O)C1 ZINC001083554530 815382580 /nfs/dbraw/zinc/38/25/80/815382580.db2.gz KVRVEGXMAGMQSL-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038280929 811161552 /nfs/dbraw/zinc/16/15/52/811161552.db2.gz PNIUJMAFUTXYSW-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038280929 811161554 /nfs/dbraw/zinc/16/15/54/811161554.db2.gz PNIUJMAFUTXYSW-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+]Cc1nc(CC2CC2)no1 ZINC001267355228 811203804 /nfs/dbraw/zinc/20/38/04/811203804.db2.gz LQKHASPPPWFXFC-JTQLQIEISA-N 1 2 291.355 0.730 20 30 CCEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058557220 811310651 /nfs/dbraw/zinc/31/06/51/811310651.db2.gz XFEITFBKFVUIIR-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001038297557 811323373 /nfs/dbraw/zinc/32/33/73/811323373.db2.gz WHBXZFFTGSATCY-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001038297557 811323383 /nfs/dbraw/zinc/32/33/83/811323383.db2.gz WHBXZFFTGSATCY-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO N#CCN1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267561990 811450078 /nfs/dbraw/zinc/45/00/78/811450078.db2.gz SGLIAXCUSFILPY-ZDUSSCGKSA-N 1 2 275.356 0.625 20 30 CCEDLO C[C@@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CO1 ZINC001267609216 811559465 /nfs/dbraw/zinc/55/94/65/811559465.db2.gz SQFKZGKIURKRPP-ZIAGYGMSSA-N 1 2 294.399 0.011 20 30 CCEDLO C[C@H]1C[C@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CO1 ZINC001267609213 811559810 /nfs/dbraw/zinc/55/98/10/811559810.db2.gz SQFKZGKIURKRPP-KBPBESRZSA-N 1 2 294.399 0.011 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC2)C1 ZINC001267621523 811578945 /nfs/dbraw/zinc/57/89/45/811578945.db2.gz WVKCOZLTDFTFLV-LBPRGKRZSA-N 1 2 265.357 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC2)C1 ZINC001267621523 811578948 /nfs/dbraw/zinc/57/89/48/811578948.db2.gz WVKCOZLTDFTFLV-LBPRGKRZSA-N 1 2 265.357 0.279 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219588539 811685304 /nfs/dbraw/zinc/68/53/04/811685304.db2.gz FKRAUDUEOMISMW-SQMDOARZSA-N 1 2 284.787 0.950 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219588539 811685312 /nfs/dbraw/zinc/68/53/12/811685312.db2.gz FKRAUDUEOMISMW-SQMDOARZSA-N 1 2 284.787 0.950 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001267722173 811686082 /nfs/dbraw/zinc/68/60/82/811686082.db2.gz ZPUZWGOTPVPXPU-NWDGAFQWSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001267722173 811686084 /nfs/dbraw/zinc/68/60/84/811686084.db2.gz ZPUZWGOTPVPXPU-NWDGAFQWSA-N 1 2 299.440 0.621 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219589249 811686696 /nfs/dbraw/zinc/68/66/96/811686696.db2.gz VETVFRZCXWLWQR-ZBWCZXCSSA-N 1 2 270.760 0.560 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219589249 811686704 /nfs/dbraw/zinc/68/67/04/811686704.db2.gz VETVFRZCXWLWQR-ZBWCZXCSSA-N 1 2 270.760 0.560 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825965 811734660 /nfs/dbraw/zinc/73/46/60/811734660.db2.gz OZKHLQWGAHENIC-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC001267755592 811748628 /nfs/dbraw/zinc/74/86/28/811748628.db2.gz MIPKDOMEUZHQOZ-OAHLLOKOSA-N 1 2 299.374 0.582 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC001267755592 811748637 /nfs/dbraw/zinc/74/86/37/811748637.db2.gz MIPKDOMEUZHQOZ-OAHLLOKOSA-N 1 2 299.374 0.582 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001038363597 811762349 /nfs/dbraw/zinc/76/23/49/811762349.db2.gz LVWKKQZKAXPXHC-XQQFMLRXSA-N 1 2 266.341 0.004 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001038363597 811762353 /nfs/dbraw/zinc/76/23/53/811762353.db2.gz LVWKKQZKAXPXHC-XQQFMLRXSA-N 1 2 266.341 0.004 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125994806 811970872 /nfs/dbraw/zinc/97/08/72/811970872.db2.gz LGVYAPCYFYKTFI-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001038776779 812069346 /nfs/dbraw/zinc/06/93/46/812069346.db2.gz ACQKVXBEMBTCJJ-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001038776779 812069356 /nfs/dbraw/zinc/06/93/56/812069356.db2.gz ACQKVXBEMBTCJJ-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027858633 812100589 /nfs/dbraw/zinc/10/05/89/812100589.db2.gz FPAZDXIRWVEYBF-UWVGGRQHSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027858633 812100592 /nfs/dbraw/zinc/10/05/92/812100592.db2.gz FPAZDXIRWVEYBF-UWVGGRQHSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918586 812140336 /nfs/dbraw/zinc/14/03/36/812140336.db2.gz QITLXRPMDMKFQE-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918586 812140340 /nfs/dbraw/zinc/14/03/40/812140340.db2.gz QITLXRPMDMKFQE-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943848 812155450 /nfs/dbraw/zinc/15/54/50/812155450.db2.gz YUJAIXONVWQGIC-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943848 812155457 /nfs/dbraw/zinc/15/54/57/812155457.db2.gz YUJAIXONVWQGIC-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)CNCC#N ZINC001268071170 812186756 /nfs/dbraw/zinc/18/67/56/812186756.db2.gz NXYJWPXFTQCYMM-NSHDSACASA-N 1 2 276.340 0.593 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028100201 812277682 /nfs/dbraw/zinc/27/76/82/812277682.db2.gz BMTPZJISNDPFCX-JTQLQIEISA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028100201 812277691 /nfs/dbraw/zinc/27/76/91/812277691.db2.gz BMTPZJISNDPFCX-JTQLQIEISA-N 1 2 296.758 0.717 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130749 812299778 /nfs/dbraw/zinc/29/97/78/812299778.db2.gz UZWZQXRQNMZWFT-NWDGAFQWSA-N 1 2 287.367 0.934 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC001268169592 812339690 /nfs/dbraw/zinc/33/96/90/812339690.db2.gz JVJUAMGIZLGOCL-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC001268169592 812339699 /nfs/dbraw/zinc/33/96/99/812339699.db2.gz JVJUAMGIZLGOCL-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CO[C@H](C)CC)[C@H](OC)C1 ZINC001212130646 815523676 /nfs/dbraw/zinc/52/36/76/815523676.db2.gz AVLBAUPMNHMWAG-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CO[C@H](C)CC)[C@H](OC)C1 ZINC001212130646 815523680 /nfs/dbraw/zinc/52/36/80/815523680.db2.gz AVLBAUPMNHMWAG-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001126361244 812634475 /nfs/dbraw/zinc/63/44/75/812634475.db2.gz YEVHKDKPIQKQHF-CQSZACIVSA-N 1 2 281.356 0.824 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001126377507 812803764 /nfs/dbraw/zinc/80/37/64/812803764.db2.gz BKRILEOVCCDAPH-QMTHXVAHSA-N 1 2 296.371 0.726 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001126377560 812807230 /nfs/dbraw/zinc/80/72/30/812807230.db2.gz CCLASIGWWDZQHJ-ZANVPECISA-N 1 2 282.344 0.472 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083341162 812889819 /nfs/dbraw/zinc/88/98/19/812889819.db2.gz MXVMWXIWGBPXFD-BDAKNGLRSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083341162 812889828 /nfs/dbraw/zinc/88/98/28/812889828.db2.gz MXVMWXIWGBPXFD-BDAKNGLRSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001127027787 815565517 /nfs/dbraw/zinc/56/55/17/815565517.db2.gz ZLQILMNSXZWKHM-SNVBAGLBSA-N 1 2 280.328 0.185 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCC2CC2)C1 ZINC001268813626 813099888 /nfs/dbraw/zinc/09/98/88/813099888.db2.gz BMOXHYIZGINIKG-LBPRGKRZSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001268851953 813113860 /nfs/dbraw/zinc/11/38/60/813113860.db2.gz YITKGVZAYRDGDJ-MEDUHNTESA-N 1 2 294.314 0.897 20 30 CCEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269104164 813216988 /nfs/dbraw/zinc/21/69/88/813216988.db2.gz LZLPWGVRFQWUMW-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269104164 813216993 /nfs/dbraw/zinc/21/69/93/813216993.db2.gz LZLPWGVRFQWUMW-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001269210774 813269025 /nfs/dbraw/zinc/26/90/25/813269025.db2.gz NWIMALGEQFQRBU-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001269210774 813269032 /nfs/dbraw/zinc/26/90/32/813269032.db2.gz NWIMALGEQFQRBU-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC ZINC001269221613 813274387 /nfs/dbraw/zinc/27/43/87/813274387.db2.gz ACPNXSGEGCTKKW-KBPBESRZSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCC ZINC001269221613 813274392 /nfs/dbraw/zinc/27/43/92/813274392.db2.gz ACPNXSGEGCTKKW-KBPBESRZSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001269230337 813278623 /nfs/dbraw/zinc/27/86/23/813278623.db2.gz ZVOFJMDDCBOIJB-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001269230337 813278628 /nfs/dbraw/zinc/27/86/28/813278628.db2.gz ZVOFJMDDCBOIJB-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C(=O)NC)CC2)C1 ZINC001269282398 813305846 /nfs/dbraw/zinc/30/58/46/813305846.db2.gz ZZSITHLKMPIKMH-LLVKDONJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C(=O)NC)CC2)C1 ZINC001269282398 813305854 /nfs/dbraw/zinc/30/58/54/813305854.db2.gz ZZSITHLKMPIKMH-LLVKDONJSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)CCc1c[nH+]cn1C ZINC001270577199 813818021 /nfs/dbraw/zinc/81/80/21/813818021.db2.gz CVJSNOOSZHMYKG-NSHDSACASA-N 1 2 263.345 0.218 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001270638093 813862864 /nfs/dbraw/zinc/86/28/64/813862864.db2.gz IXPVFFXUBQWBEO-STQMWFEESA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001270638093 813862873 /nfs/dbraw/zinc/86/28/73/813862873.db2.gz IXPVFFXUBQWBEO-STQMWFEESA-N 1 2 268.357 0.414 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001270701520 813899022 /nfs/dbraw/zinc/89/90/22/813899022.db2.gz UYFXKOIYLJMVMG-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001270701520 813899025 /nfs/dbraw/zinc/89/90/25/813899025.db2.gz UYFXKOIYLJMVMG-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001083407914 813920651 /nfs/dbraw/zinc/92/06/51/813920651.db2.gz KRXMTXAFYZDZDH-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001083407914 813920656 /nfs/dbraw/zinc/92/06/56/813920656.db2.gz KRXMTXAFYZDZDH-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc(C)nn2C)C1 ZINC001271254436 814354390 /nfs/dbraw/zinc/35/43/90/814354390.db2.gz LOZIWOHQRCICND-UHFFFAOYSA-N 1 2 278.356 0.081 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001271298260 814367958 /nfs/dbraw/zinc/36/79/58/814367958.db2.gz YOVQFARAKARTCM-OLZOCXBDSA-N 1 2 280.368 0.130 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001271319704 814379279 /nfs/dbraw/zinc/37/92/79/814379279.db2.gz OYCYEAKHBUUTRM-MELADBBJSA-N 1 2 294.395 0.541 20 30 CCEDLO CC[C@@H](C[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1)OC ZINC001280406350 814477355 /nfs/dbraw/zinc/47/73/55/814477355.db2.gz NMYHSMARDXYACW-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@@H](C[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1)OC ZINC001280406350 814477357 /nfs/dbraw/zinc/47/73/57/814477357.db2.gz NMYHSMARDXYACW-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CC ZINC001038461383 814522669 /nfs/dbraw/zinc/52/26/69/814522669.db2.gz ZYPPOFWPBWOLLW-LLVKDONJSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CC ZINC001038461383 814522674 /nfs/dbraw/zinc/52/26/74/814522674.db2.gz ZYPPOFWPBWOLLW-LLVKDONJSA-N 1 2 260.341 0.420 20 30 CCEDLO CC(C)CC(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001271952238 814647047 /nfs/dbraw/zinc/64/70/47/814647047.db2.gz ZKWHGVDCCOPNJG-UHFFFAOYSA-N 1 2 268.361 0.062 20 30 CCEDLO CC(C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001271952238 814647052 /nfs/dbraw/zinc/64/70/52/814647052.db2.gz ZKWHGVDCCOPNJG-UHFFFAOYSA-N 1 2 268.361 0.062 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC001088553900 814888023 /nfs/dbraw/zinc/88/80/23/814888023.db2.gz IDVPZOJBYIUUOP-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC001088553900 814888027 /nfs/dbraw/zinc/88/80/27/814888027.db2.gz IDVPZOJBYIUUOP-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO CN(CCN(C)c1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001105452874 814891706 /nfs/dbraw/zinc/89/17/06/814891706.db2.gz CNUOCQHCMZWPJB-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](O)C1 ZINC001083660758 815629143 /nfs/dbraw/zinc/62/91/43/815629143.db2.gz OFZUUVZWVXULHL-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](O)C1 ZINC001083660758 815629146 /nfs/dbraw/zinc/62/91/46/815629146.db2.gz OFZUUVZWVXULHL-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OC)C1 ZINC001030425751 816031787 /nfs/dbraw/zinc/03/17/87/816031787.db2.gz OPHQMXXOAFEAHL-OCCSQVGLSA-N 1 2 280.368 0.252 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OC)C1 ZINC001030425818 816032333 /nfs/dbraw/zinc/03/23/33/816032333.db2.gz QTEKALWNAHYGKK-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cn(C)nc2C)C1 ZINC001030452987 816044056 /nfs/dbraw/zinc/04/40/56/816044056.db2.gz RVPBJHAJWLDFNQ-UHFFFAOYSA-N 1 2 262.357 0.648 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001030471592 816054341 /nfs/dbraw/zinc/05/43/41/816054341.db2.gz BGLMSSHGHDADQL-YPMHNXCESA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001030493850 816065775 /nfs/dbraw/zinc/06/57/75/816065775.db2.gz WTSCICNYUYDCSD-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2CCOC)C1 ZINC001030495916 816066388 /nfs/dbraw/zinc/06/63/88/816066388.db2.gz HGYSHTNFFJIUDA-UHFFFAOYSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001030498194 816067234 /nfs/dbraw/zinc/06/72/34/816067234.db2.gz MWNIQXZUYZNGSH-UHFFFAOYSA-N 1 2 286.339 0.423 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001030546568 816101759 /nfs/dbraw/zinc/10/17/59/816101759.db2.gz KPDDHTYBAMSJLT-UHFFFAOYSA-N 1 2 299.334 0.175 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001030600265 816138718 /nfs/dbraw/zinc/13/87/18/816138718.db2.gz ULLRETCEOFHMBZ-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978385 816199539 /nfs/dbraw/zinc/19/95/39/816199539.db2.gz MJIGNKLRIIRONG-WOPDTQHZSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978385 816199546 /nfs/dbraw/zinc/19/95/46/816199546.db2.gz MJIGNKLRIIRONG-WOPDTQHZSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978385 816199553 /nfs/dbraw/zinc/19/95/53/816199553.db2.gz MJIGNKLRIIRONG-WOPDTQHZSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978385 816199557 /nfs/dbraw/zinc/19/95/57/816199557.db2.gz MJIGNKLRIIRONG-WOPDTQHZSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001030692829 816225911 /nfs/dbraw/zinc/22/59/11/816225911.db2.gz GMLJARWBWDDMRP-UHFFFAOYSA-N 1 2 259.309 0.153 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001030712386 816244033 /nfs/dbraw/zinc/24/40/33/816244033.db2.gz PTAOTYZIPLYTKQ-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001030722937 816250404 /nfs/dbraw/zinc/25/04/04/816250404.db2.gz WUPPSSOOCGCDCB-FPMFFAJLSA-N 1 2 280.368 0.414 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001030750250 816264270 /nfs/dbraw/zinc/26/42/70/816264270.db2.gz ZROUWBHHCHBEMK-NSHDSACASA-N 1 2 290.367 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001030760483 816271418 /nfs/dbraw/zinc/27/14/18/816271418.db2.gz CKESCWVNVZGCEK-UHFFFAOYSA-N 1 2 276.384 0.956 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001030766361 816276297 /nfs/dbraw/zinc/27/62/97/816276297.db2.gz ZRQJRRFYXCRPPS-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC001030885982 816390779 /nfs/dbraw/zinc/39/07/79/816390779.db2.gz FUXSCLWYLJVJIT-UHFFFAOYSA-N 1 2 270.292 0.660 20 30 CCEDLO CC[NH+]1CC2(C1)CN(Cc1cccc(C#N)c1)C(=O)CO2 ZINC001272438358 816428694 /nfs/dbraw/zinc/42/86/94/816428694.db2.gz VQILCNBJGWWMRU-UHFFFAOYSA-N 1 2 285.347 0.991 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(C#C)c2)C1 ZINC001030928181 816448351 /nfs/dbraw/zinc/44/83/51/816448351.db2.gz HTSJTTHIENAIPZ-UHFFFAOYSA-N 1 2 253.305 0.500 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234163078 816506001 /nfs/dbraw/zinc/50/60/01/816506001.db2.gz XMNTXCJAISUVBO-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234163078 816506006 /nfs/dbraw/zinc/50/60/06/816506006.db2.gz XMNTXCJAISUVBO-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030979915 816528257 /nfs/dbraw/zinc/52/82/57/816528257.db2.gz XVFNTMGNGGKRKJ-RTXFEEFZSA-N 1 2 268.357 0.413 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272538594 816562405 /nfs/dbraw/zinc/56/24/05/816562405.db2.gz QWGAAKYJGNEOFR-CQSZACIVSA-N 1 2 276.340 0.399 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272538594 816562409 /nfs/dbraw/zinc/56/24/09/816562409.db2.gz QWGAAKYJGNEOFR-CQSZACIVSA-N 1 2 276.340 0.399 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001031027656 816576824 /nfs/dbraw/zinc/57/68/24/816576824.db2.gz ORNJEMAKKQDSAS-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001031079905 816631351 /nfs/dbraw/zinc/63/13/51/816631351.db2.gz OPFAQJQJVOIIQV-NSHDSACASA-N 1 2 293.371 0.303 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NCCNCC#N)ccn12 ZINC001127289563 816632230 /nfs/dbraw/zinc/63/22/30/816632230.db2.gz XYWWEQUDXFCMTG-UHFFFAOYSA-N 1 2 257.297 0.486 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc(C)n2)C1 ZINC001031098673 816644576 /nfs/dbraw/zinc/64/45/76/816644576.db2.gz IAVKEMDVZIJBDA-UHFFFAOYSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001031180569 816751528 /nfs/dbraw/zinc/75/15/28/816751528.db2.gz ZLLLWKKURAALDG-UHFFFAOYSA-N 1 2 274.368 0.521 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2OC)C1 ZINC001031309047 816951741 /nfs/dbraw/zinc/95/17/41/816951741.db2.gz AFSDZJFKGOHKGX-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ccccc2=O)C1 ZINC001031372221 817009561 /nfs/dbraw/zinc/00/95/61/817009561.db2.gz TVXFUZWZAATARU-UHFFFAOYSA-N 1 2 261.325 0.225 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001031413322 817040303 /nfs/dbraw/zinc/04/03/03/817040303.db2.gz SEMPBQWMYOIIAD-CQSZACIVSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001031417096 817041460 /nfs/dbraw/zinc/04/14/60/817041460.db2.gz VWNMHHGFLVWPNB-UHFFFAOYSA-N 1 2 287.367 0.059 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001031635429 817205422 /nfs/dbraw/zinc/20/54/22/817205422.db2.gz SNCXYVVPPNFVAA-UHFFFAOYSA-N 1 2 285.731 0.392 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001127608574 817343975 /nfs/dbraw/zinc/34/39/75/817343975.db2.gz ANVMBPBNURSZER-NEPJUHHUSA-N 1 2 280.328 0.257 20 30 CCEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001031804882 817381086 /nfs/dbraw/zinc/38/10/86/817381086.db2.gz ADGIFVBUNQKTDH-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001031804882 817381096 /nfs/dbraw/zinc/38/10/96/817381096.db2.gz ADGIFVBUNQKTDH-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@@H](O)C1 ZINC001083772206 817515082 /nfs/dbraw/zinc/51/50/82/817515082.db2.gz BIVJEHBEKLPUND-TUAOUCFPSA-N 1 2 262.309 0.178 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@@H](O)C1 ZINC001083772206 817515087 /nfs/dbraw/zinc/51/50/87/817515087.db2.gz BIVJEHBEKLPUND-TUAOUCFPSA-N 1 2 262.309 0.178 20 30 CCEDLO N#CCN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870255 817579135 /nfs/dbraw/zinc/57/91/35/817579135.db2.gz RKEDXNVIDMWPHE-ATGSNQNLSA-N 1 2 299.378 0.645 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272726742 817616155 /nfs/dbraw/zinc/61/61/55/817616155.db2.gz UJHYEOVZCXQYBO-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272726742 817616159 /nfs/dbraw/zinc/61/61/59/817616159.db2.gz UJHYEOVZCXQYBO-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO CC(C)Cc1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124889403 817616349 /nfs/dbraw/zinc/61/63/49/817616349.db2.gz PZDNUIAABJLEKW-SNVBAGLBSA-N 1 2 279.344 0.634 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)c1csnn1 ZINC001124896859 817622119 /nfs/dbraw/zinc/62/21/19/817622119.db2.gz PZPBSECOHWGZAU-JGVFFNPUSA-N 1 2 253.331 0.465 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001032138678 817663328 /nfs/dbraw/zinc/66/33/28/817663328.db2.gz GTSJOZOKNNOFQW-ZDUSSCGKSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(F)F)nn2)C1 ZINC001107114178 817759197 /nfs/dbraw/zinc/75/91/97/817759197.db2.gz HXRZZWFOFLBKST-UHFFFAOYSA-N 1 2 285.298 0.592 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001212349398 817764334 /nfs/dbraw/zinc/76/43/34/817764334.db2.gz UAOQBAQBEFNMCF-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001212349398 817764339 /nfs/dbraw/zinc/76/43/39/817764339.db2.gz UAOQBAQBEFNMCF-JHJVBQTASA-N 1 2 297.399 0.293 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)[nH]n1 ZINC001032266009 817767171 /nfs/dbraw/zinc/76/71/71/817767171.db2.gz IFJAAOZKFQHEIJ-QWRGUYRKSA-N 1 2 272.308 0.104 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)[nH]n1 ZINC001032266009 817767177 /nfs/dbraw/zinc/76/71/77/817767177.db2.gz IFJAAOZKFQHEIJ-QWRGUYRKSA-N 1 2 272.308 0.104 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)C)nn2)C1 ZINC001107129824 817782787 /nfs/dbraw/zinc/78/27/87/817782787.db2.gz QYHTUHMFEJEUAO-UHFFFAOYSA-N 1 2 277.372 0.983 20 30 CCEDLO N#Cc1nccnc1NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001107240600 817816396 /nfs/dbraw/zinc/81/63/96/817816396.db2.gz PHEDPXACWLGMLZ-UPHRSURJSA-N 1 2 297.322 0.329 20 30 CCEDLO C=C(C)C[NH2+]CCNC(=O)c1cncc2nc[nH]c21 ZINC001127798096 817878915 /nfs/dbraw/zinc/87/89/15/817878915.db2.gz YXFXOLNLHDBKLT-UHFFFAOYSA-N 1 2 259.313 0.853 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C)c1C ZINC001032327829 817880740 /nfs/dbraw/zinc/88/07/40/817880740.db2.gz AXHMUUPVSMTYML-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C)c1C ZINC001032327829 817880745 /nfs/dbraw/zinc/88/07/45/817880745.db2.gz AXHMUUPVSMTYML-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC001077622692 817881889 /nfs/dbraw/zinc/88/18/89/817881889.db2.gz XDKUFXZUMKDCRC-CHWSQXEVSA-N 1 2 270.348 0.864 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC001077622692 817881894 /nfs/dbraw/zinc/88/18/94/817881894.db2.gz XDKUFXZUMKDCRC-CHWSQXEVSA-N 1 2 270.348 0.864 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032333644 817891737 /nfs/dbraw/zinc/89/17/37/817891737.db2.gz UHSDHQACZPTIFB-RWMBFGLXSA-N 1 2 299.802 0.355 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032333644 817891741 /nfs/dbraw/zinc/89/17/41/817891741.db2.gz UHSDHQACZPTIFB-RWMBFGLXSA-N 1 2 299.802 0.355 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001107758017 817988246 /nfs/dbraw/zinc/98/82/46/817988246.db2.gz ZITCJNYXFYARKO-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001107758017 817988249 /nfs/dbraw/zinc/98/82/49/817988249.db2.gz ZITCJNYXFYARKO-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC)C1 ZINC001107762806 817991745 /nfs/dbraw/zinc/99/17/45/817991745.db2.gz WUMATWFMCNOHHX-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC)C1 ZINC001107762806 817991749 /nfs/dbraw/zinc/99/17/49/817991749.db2.gz WUMATWFMCNOHHX-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)nn2C)C1 ZINC001107782195 818002286 /nfs/dbraw/zinc/00/22/86/818002286.db2.gz QHHLXQDEPIMXOX-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)nn2C)C1 ZINC001107782195 818002292 /nfs/dbraw/zinc/00/22/92/818002292.db2.gz QHHLXQDEPIMXOX-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCOCC2 ZINC001032822209 818069364 /nfs/dbraw/zinc/06/93/64/818069364.db2.gz IIHOGEYNBLCJOW-IHRRRGAJSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCOCC2 ZINC001032822209 818069369 /nfs/dbraw/zinc/06/93/69/818069369.db2.gz IIHOGEYNBLCJOW-IHRRRGAJSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038551424 818184652 /nfs/dbraw/zinc/18/46/52/818184652.db2.gz MVUUWXIDBIJLSA-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038551424 818184658 /nfs/dbraw/zinc/18/46/58/818184658.db2.gz MVUUWXIDBIJLSA-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032921638 818362046 /nfs/dbraw/zinc/36/20/46/818362046.db2.gz QSFLHYSMNQDFQR-GFCCVEGCSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032921638 818362054 /nfs/dbraw/zinc/36/20/54/818362054.db2.gz QSFLHYSMNQDFQR-GFCCVEGCSA-N 1 2 260.341 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121729 818661750 /nfs/dbraw/zinc/66/17/50/818661750.db2.gz AEVXHXVUVJIUCG-GXSJLCMTSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121729 818661760 /nfs/dbraw/zinc/66/17/60/818661760.db2.gz AEVXHXVUVJIUCG-GXSJLCMTSA-N 1 2 285.731 0.592 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC(F)F)C1 ZINC001108096718 818661904 /nfs/dbraw/zinc/66/19/04/818661904.db2.gz VRRQIYCGPTVZDM-CYBMUJFWSA-N 1 2 292.326 0.661 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COCC(F)F)C1 ZINC001108096718 818661914 /nfs/dbraw/zinc/66/19/14/818661914.db2.gz VRRQIYCGPTVZDM-CYBMUJFWSA-N 1 2 292.326 0.661 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033351703 818732436 /nfs/dbraw/zinc/73/24/36/818732436.db2.gz BMVVKOTVHDACAO-VXGBXAGGSA-N 1 2 299.802 0.892 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033351703 818732441 /nfs/dbraw/zinc/73/24/41/818732441.db2.gz BMVVKOTVHDACAO-VXGBXAGGSA-N 1 2 299.802 0.892 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CC1 ZINC001143189020 818944890 /nfs/dbraw/zinc/94/48/90/818944890.db2.gz YVUQARVRHRKKSJ-JTQLQIEISA-N 1 2 276.296 0.304 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CC1 ZINC001143189020 818944894 /nfs/dbraw/zinc/94/48/94/818944894.db2.gz YVUQARVRHRKKSJ-JTQLQIEISA-N 1 2 276.296 0.304 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033924533 818990678 /nfs/dbraw/zinc/99/06/78/818990678.db2.gz XYROJHCUQFGNCY-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033924533 818990682 /nfs/dbraw/zinc/99/06/82/818990682.db2.gz XYROJHCUQFGNCY-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225390 819134348 /nfs/dbraw/zinc/13/43/48/819134348.db2.gz IRRPGKGOLLLLJZ-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225390 819134343 /nfs/dbraw/zinc/13/43/43/819134343.db2.gz IRRPGKGOLLLLJZ-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034375377 819184040 /nfs/dbraw/zinc/18/40/40/819184040.db2.gz ANDOQWPZHROURC-LLVKDONJSA-N 1 2 276.340 0.343 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034375377 819184041 /nfs/dbraw/zinc/18/40/41/819184041.db2.gz ANDOQWPZHROURC-LLVKDONJSA-N 1 2 276.340 0.343 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136449 819281598 /nfs/dbraw/zinc/28/15/98/819281598.db2.gz ZMJAUAASDZAEGT-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035263904 819429451 /nfs/dbraw/zinc/42/94/51/819429451.db2.gz BBJJZKZDLDNOJE-CYBMUJFWSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035263904 819429455 /nfs/dbraw/zinc/42/94/55/819429455.db2.gz BBJJZKZDLDNOJE-CYBMUJFWSA-N 1 2 261.325 0.698 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281430 819447134 /nfs/dbraw/zinc/44/71/34/819447134.db2.gz BKTGDNVHFLLONJ-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281430 819447137 /nfs/dbraw/zinc/44/71/37/819447137.db2.gz BKTGDNVHFLLONJ-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001035342201 819483000 /nfs/dbraw/zinc/48/30/00/819483000.db2.gz BDHHXIBOQNTUQA-LLVKDONJSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001035342201 819483003 /nfs/dbraw/zinc/48/30/03/819483003.db2.gz BDHHXIBOQNTUQA-LLVKDONJSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2CC)C1 ZINC001035347614 819487044 /nfs/dbraw/zinc/48/70/44/819487044.db2.gz WRFMJFSYBFICRW-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnn2CC)C1 ZINC001035347614 819487048 /nfs/dbraw/zinc/48/70/48/819487048.db2.gz WRFMJFSYBFICRW-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001035368407 819491937 /nfs/dbraw/zinc/49/19/37/819491937.db2.gz QNZMFWJRJIHTMS-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001035368407 819491942 /nfs/dbraw/zinc/49/19/42/819491942.db2.gz QNZMFWJRJIHTMS-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349693 819493330 /nfs/dbraw/zinc/49/33/30/819493330.db2.gz KEGZLGTUVQPUAO-NRXISQOPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349693 819493325 /nfs/dbraw/zinc/49/33/25/819493325.db2.gz KEGZLGTUVQPUAO-NRXISQOPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035353153 819494806 /nfs/dbraw/zinc/49/48/06/819494806.db2.gz AZKZLRJXNRQUTA-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035353153 819494810 /nfs/dbraw/zinc/49/48/10/819494810.db2.gz AZKZLRJXNRQUTA-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2CCC)C1 ZINC001035386206 819504461 /nfs/dbraw/zinc/50/44/61/819504461.db2.gz IXEARRMYVRNLDC-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnn2CCC)C1 ZINC001035386206 819504466 /nfs/dbraw/zinc/50/44/66/819504466.db2.gz IXEARRMYVRNLDC-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001035479019 819531810 /nfs/dbraw/zinc/53/18/10/819531810.db2.gz PQETVBRIEQNUOJ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001035479019 819531813 /nfs/dbraw/zinc/53/18/13/819531813.db2.gz PQETVBRIEQNUOJ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035517695 819545644 /nfs/dbraw/zinc/54/56/44/819545644.db2.gz ZNRHGLZPMDZCJO-TUVASFSCSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035517695 819545649 /nfs/dbraw/zinc/54/56/49/819545649.db2.gz ZNRHGLZPMDZCJO-TUVASFSCSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035515761 819545739 /nfs/dbraw/zinc/54/57/39/819545739.db2.gz JHNINKZEYSESNY-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035515761 819545743 /nfs/dbraw/zinc/54/57/43/819545743.db2.gz JHNINKZEYSESNY-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035604171 819573415 /nfs/dbraw/zinc/57/34/15/819573415.db2.gz HYKBQVYXNYPIIQ-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035604171 819573419 /nfs/dbraw/zinc/57/34/19/819573419.db2.gz HYKBQVYXNYPIIQ-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001035631999 819585843 /nfs/dbraw/zinc/58/58/43/819585843.db2.gz XFJOGTYLZLIXBT-ZIAGYGMSSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001035631999 819585850 /nfs/dbraw/zinc/58/58/50/819585850.db2.gz XFJOGTYLZLIXBT-ZIAGYGMSSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2CC)C1 ZINC001035607302 819587710 /nfs/dbraw/zinc/58/77/10/819587710.db2.gz URKIAZOZJKVTLI-GFCCVEGCSA-N 1 2 290.367 0.656 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncnc2CC)C1 ZINC001035607302 819587717 /nfs/dbraw/zinc/58/77/17/819587717.db2.gz URKIAZOZJKVTLI-GFCCVEGCSA-N 1 2 290.367 0.656 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035695528 819610116 /nfs/dbraw/zinc/61/01/16/819610116.db2.gz UTYHFEWVHQODSZ-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC001035713323 819612770 /nfs/dbraw/zinc/61/27/70/819612770.db2.gz CPLALPDMAWTSCR-UHFFFAOYSA-N 1 2 298.408 0.141 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1cn(C)ccc1=O)CC2 ZINC001035746900 819622736 /nfs/dbraw/zinc/62/27/36/819622736.db2.gz BGAQKGPKCSAMIJ-UHFFFAOYSA-N 1 2 299.374 0.557 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035824169 819630674 /nfs/dbraw/zinc/63/06/74/819630674.db2.gz UWZXAHYLBXWXOE-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035806464 819631133 /nfs/dbraw/zinc/63/11/33/819631133.db2.gz GDOPJJJGXXSRLW-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1NCC#N ZINC001036114381 819689243 /nfs/dbraw/zinc/68/92/43/819689243.db2.gz DKPQDUBWSDQIAI-STQMWFEESA-N 1 2 289.383 0.703 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](O)C1 ZINC001083882584 820055372 /nfs/dbraw/zinc/05/53/72/820055372.db2.gz HQTHEVMYNHAULD-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](O)C1 ZINC001083882584 820055380 /nfs/dbraw/zinc/05/53/80/820055380.db2.gz HQTHEVMYNHAULD-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001080972149 820659959 /nfs/dbraw/zinc/65/99/59/820659959.db2.gz AAEZMXWTGYBYHT-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001080972149 820659964 /nfs/dbraw/zinc/65/99/64/820659964.db2.gz AAEZMXWTGYBYHT-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001081277608 820718343 /nfs/dbraw/zinc/71/83/43/820718343.db2.gz FPLGTYDBKCTCOT-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001081277608 820718347 /nfs/dbraw/zinc/71/83/47/820718347.db2.gz FPLGTYDBKCTCOT-CHWSQXEVSA-N 1 2 259.309 0.144 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081342480 820742999 /nfs/dbraw/zinc/74/29/99/820742999.db2.gz SKULSMUIPQZECN-ZYHUDNBSSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081342480 820743002 /nfs/dbraw/zinc/74/30/02/820743002.db2.gz SKULSMUIPQZECN-ZYHUDNBSSA-N 1 2 263.297 0.045 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCC2 ZINC001164641433 821000765 /nfs/dbraw/zinc/00/07/65/821000765.db2.gz KTDBMZZAGHLROS-MRVPVSSYSA-N 1 2 263.732 0.920 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1NCC#N ZINC001082732588 821028324 /nfs/dbraw/zinc/02/83/24/821028324.db2.gz LNPCQEARNGQVAW-NQBHXWOUSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@H](O)C1 ZINC001090388379 821062583 /nfs/dbraw/zinc/06/25/83/821062583.db2.gz PMYFRBFDRYNYJR-CHWSQXEVSA-N 1 2 290.367 0.249 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@H](O)C1 ZINC001090388379 821062594 /nfs/dbraw/zinc/06/25/94/821062594.db2.gz PMYFRBFDRYNYJR-CHWSQXEVSA-N 1 2 290.367 0.249 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCO3)[C@H]2C1 ZINC001083010467 821104225 /nfs/dbraw/zinc/10/42/25/821104225.db2.gz MVIKHACDQNTIAO-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCO3)[C@H]2C1 ZINC001083010467 821104230 /nfs/dbraw/zinc/10/42/30/821104230.db2.gz MVIKHACDQNTIAO-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC001083054772 821129581 /nfs/dbraw/zinc/12/95/81/821129581.db2.gz YEPMUSNLEZEGIZ-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC001083054772 821129583 /nfs/dbraw/zinc/12/95/83/821129583.db2.gz YEPMUSNLEZEGIZ-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3(C)CC3)[C@H]2C1 ZINC001083146255 821146822 /nfs/dbraw/zinc/14/68/22/821146822.db2.gz AUAZLALAMUEKNL-QWHCGFSZSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3(C)CC3)[C@H]2C1 ZINC001083146255 821146827 /nfs/dbraw/zinc/14/68/27/821146827.db2.gz AUAZLALAMUEKNL-QWHCGFSZSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](O)C1 ZINC001083938730 821160043 /nfs/dbraw/zinc/16/00/43/821160043.db2.gz LQKRCKMMPXEUGO-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](O)C1 ZINC001083938730 821160048 /nfs/dbraw/zinc/16/00/48/821160048.db2.gz LQKRCKMMPXEUGO-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@@H](O)C1 ZINC001084013288 821183330 /nfs/dbraw/zinc/18/33/30/821183330.db2.gz YUSPRZBUVOCKIH-ZBFHGGJFSA-N 1 2 299.374 0.087 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@@H](O)C1 ZINC001084013288 821183333 /nfs/dbraw/zinc/18/33/33/821183333.db2.gz YUSPRZBUVOCKIH-ZBFHGGJFSA-N 1 2 299.374 0.087 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](O)C1 ZINC001084045817 821188239 /nfs/dbraw/zinc/18/82/39/821188239.db2.gz GJYMJAJMOCKTGT-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](O)C1 ZINC001084045817 821188244 /nfs/dbraw/zinc/18/82/44/821188244.db2.gz GJYMJAJMOCKTGT-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2Cl)[C@@H](O)C1 ZINC001084063158 821190278 /nfs/dbraw/zinc/19/02/78/821190278.db2.gz SFORTMLEWOTMOB-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2Cl)[C@@H](O)C1 ZINC001084063158 821190280 /nfs/dbraw/zinc/19/02/80/821190280.db2.gz SFORTMLEWOTMOB-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H](O)C1 ZINC001084111049 821200576 /nfs/dbraw/zinc/20/05/76/821200576.db2.gz QCAYVISCPLXZLV-CVEARBPZSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H](O)C1 ZINC001084111049 821200584 /nfs/dbraw/zinc/20/05/84/821200584.db2.gz QCAYVISCPLXZLV-CVEARBPZSA-N 1 2 284.359 0.583 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084464659 821292595 /nfs/dbraw/zinc/29/25/95/821292595.db2.gz MXQMHQJFXMRWBQ-CHWSQXEVSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084464659 821292600 /nfs/dbraw/zinc/29/26/00/821292600.db2.gz MXQMHQJFXMRWBQ-CHWSQXEVSA-N 1 2 298.408 0.140 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3conc3C)[C@@H]2C1 ZINC001084626430 821330057 /nfs/dbraw/zinc/33/00/57/821330057.db2.gz PGNSRMVGISLTSJ-DGCLKSJQSA-N 1 2 259.309 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3conc3C)[C@@H]2C1 ZINC001084626430 821330062 /nfs/dbraw/zinc/33/00/62/821330062.db2.gz PGNSRMVGISLTSJ-DGCLKSJQSA-N 1 2 259.309 0.763 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084630791 821330843 /nfs/dbraw/zinc/33/08/43/821330843.db2.gz VJOJJCZUUPRFIZ-XJKCOSOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084630791 821330853 /nfs/dbraw/zinc/33/08/53/821330853.db2.gz VJOJJCZUUPRFIZ-XJKCOSOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785691 821389714 /nfs/dbraw/zinc/38/97/14/821389714.db2.gz XHUYOGCMTVJQLL-GRYCIOLGSA-N 1 2 297.786 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785691 821389726 /nfs/dbraw/zinc/38/97/26/821389726.db2.gz XHUYOGCMTVJQLL-GRYCIOLGSA-N 1 2 297.786 0.550 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001098306839 821666538 /nfs/dbraw/zinc/66/65/38/821666538.db2.gz OLEXYUVMXJDUNJ-JTQLQIEISA-N 1 2 299.338 0.539 20 30 CCEDLO Cc1cc(N[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001098307115 821669889 /nfs/dbraw/zinc/66/98/89/821669889.db2.gz UINPCSWFWZFYBF-LLVKDONJSA-N 1 2 298.350 0.566 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670075 821885425 /nfs/dbraw/zinc/88/54/25/821885425.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 1 2 281.400 0.424 20 30 CCEDLO C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670075 821885434 /nfs/dbraw/zinc/88/54/34/821885434.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 1 2 281.400 0.424 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)COCC2 ZINC001085669941 821885507 /nfs/dbraw/zinc/88/55/07/821885507.db2.gz KHOPHAHKOHDAQA-LBPRGKRZSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)COCC2 ZINC001085669941 821885515 /nfs/dbraw/zinc/88/55/15/821885515.db2.gz KHOPHAHKOHDAQA-LBPRGKRZSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085729654 821920808 /nfs/dbraw/zinc/92/08/08/821920808.db2.gz CYUAPTZRHPQUEG-ZQDZILKHSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085729654 821920815 /nfs/dbraw/zinc/92/08/15/821920815.db2.gz CYUAPTZRHPQUEG-ZQDZILKHSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#C)cn1 ZINC001085929632 822020292 /nfs/dbraw/zinc/02/02/92/822020292.db2.gz BIZYOFWQHHEOJD-AWEZNQCLSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#C)cn1 ZINC001085929632 822020302 /nfs/dbraw/zinc/02/03/02/822020302.db2.gz BIZYOFWQHHEOJD-AWEZNQCLSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001085966420 822041949 /nfs/dbraw/zinc/04/19/49/822041949.db2.gz JKNCKGHTGQXLLD-AWEZNQCLSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001085966420 822041959 /nfs/dbraw/zinc/04/19/59/822041959.db2.gz JKNCKGHTGQXLLD-AWEZNQCLSA-N 1 2 285.347 0.565 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086403988 822239330 /nfs/dbraw/zinc/23/93/30/822239330.db2.gz LJJNEWFJUGICKY-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114198996 837473362 /nfs/dbraw/zinc/47/33/62/837473362.db2.gz MHTRSRBXPBODSR-NHAGDIPZSA-N 1 2 287.367 0.165 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114198996 837473365 /nfs/dbraw/zinc/47/33/65/837473365.db2.gz MHTRSRBXPBODSR-NHAGDIPZSA-N 1 2 287.367 0.165 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCc2ccc(N)[nH+]c2)CCO1 ZINC001183933376 844112203 /nfs/dbraw/zinc/11/22/03/844112203.db2.gz KWPUMOFMULOHAX-LLVKDONJSA-N 1 2 260.297 0.347 20 30 CCEDLO N#CCCN1CCN(C(=O)CCc2ccc(N)[nH+]c2)CC1 ZINC001183933671 844112980 /nfs/dbraw/zinc/11/29/80/844112980.db2.gz RYKIOYSEIOAJMY-UHFFFAOYSA-N 1 2 287.367 0.654 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109080507 836613381 /nfs/dbraw/zinc/61/33/81/836613381.db2.gz WHXCHVCQPHRXMR-WYUUTHIRSA-N 1 2 278.356 0.004 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109080507 836613384 /nfs/dbraw/zinc/61/33/84/836613384.db2.gz WHXCHVCQPHRXMR-WYUUTHIRSA-N 1 2 278.356 0.004 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255411 836648618 /nfs/dbraw/zinc/64/86/18/836648618.db2.gz RNZMPZGUMDEIBQ-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109683344 836714091 /nfs/dbraw/zinc/71/40/91/836714091.db2.gz HQWZYFQUAVGLEA-OXJKWZBOSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109683344 836714100 /nfs/dbraw/zinc/71/41/00/836714100.db2.gz HQWZYFQUAVGLEA-OXJKWZBOSA-N 1 2 279.384 0.796 20 30 CCEDLO C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)CSCC#N)CC2)O1 ZINC001112629931 836832600 /nfs/dbraw/zinc/83/26/00/836832600.db2.gz HQPAGONQEGVSLW-QWHCGFSZSA-N 1 2 297.424 0.955 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001112650726 836842748 /nfs/dbraw/zinc/84/27/48/836842748.db2.gz KAAQYMLGBRCJRX-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112814441 836924303 /nfs/dbraw/zinc/92/43/03/836924303.db2.gz QATISLVAFXTOHB-CQSZACIVSA-N 1 2 250.342 0.481 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1cncc(C#N)n1 ZINC001113082421 837017233 /nfs/dbraw/zinc/01/72/33/837017233.db2.gz RPDRKENNFWVOCD-GHMZBOCLSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113082335 837018882 /nfs/dbraw/zinc/01/88/82/837018882.db2.gz RADCEOXLGLBUSN-NEPJUHHUSA-N 1 2 298.350 0.577 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccncc1C#N ZINC001113082336 837019057 /nfs/dbraw/zinc/01/90/57/837019057.db2.gz RADCEOXLGLBUSN-NWDGAFQWSA-N 1 2 298.350 0.577 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113229540 837062811 /nfs/dbraw/zinc/06/28/11/837062811.db2.gz LSASJISJVSEMAG-ZIAGYGMSSA-N 1 2 284.400 0.598 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001113605256 837173647 /nfs/dbraw/zinc/17/36/47/837173647.db2.gz QNIBSZOFEJYFRK-UHFFFAOYSA-N 1 2 277.324 0.340 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)cn1 ZINC001113644884 837187156 /nfs/dbraw/zinc/18/71/56/837187156.db2.gz MDYSBJACLVERDW-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 ZINC001131359978 838061869 /nfs/dbraw/zinc/06/18/69/838061869.db2.gz BAZMFTIQBODCCR-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 ZINC001131359978 838061881 /nfs/dbraw/zinc/06/18/81/838061881.db2.gz BAZMFTIQBODCCR-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001131867331 838254654 /nfs/dbraw/zinc/25/46/54/838254654.db2.gz OKDGIBBXBJDNAQ-HNNXBMFYSA-N 1 2 292.383 0.911 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001131867885 838255785 /nfs/dbraw/zinc/25/57/85/838255785.db2.gz YNJHAEXAXYHDFO-CQSZACIVSA-N 1 2 296.371 0.813 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)CCS(C)(=O)=O)CC[C@H]1C ZINC001132141977 838328917 /nfs/dbraw/zinc/32/89/17/838328917.db2.gz WIAXZWGGMVBICX-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)CCS(C)(=O)=O)CC[C@H]1C ZINC001132141977 838328920 /nfs/dbraw/zinc/32/89/20/838328920.db2.gz WIAXZWGGMVBICX-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132314391 838360186 /nfs/dbraw/zinc/36/01/86/838360186.db2.gz KGYQVQUNMTWLAL-GXTWGEPZSA-N 1 2 289.383 0.730 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132314391 838360193 /nfs/dbraw/zinc/36/01/93/838360193.db2.gz KGYQVQUNMTWLAL-GXTWGEPZSA-N 1 2 289.383 0.730 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132573481 838440247 /nfs/dbraw/zinc/44/02/47/838440247.db2.gz OKKLDGXCZFMADG-UWVGGRQHSA-N 1 2 252.318 0.734 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001133154417 838562658 /nfs/dbraw/zinc/56/26/58/838562658.db2.gz JLUSFUJDUPIZPL-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CCC1 ZINC001133392196 838617145 /nfs/dbraw/zinc/61/71/45/838617145.db2.gz LRJJZLAUNDVJRY-UHFFFAOYSA-N 1 2 293.371 0.061 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001135147244 839169702 /nfs/dbraw/zinc/16/97/02/839169702.db2.gz FWVDCGVTBKCXDR-AAEUAGOBSA-N 1 2 294.355 0.565 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1CNCC#N ZINC001185787638 844459768 /nfs/dbraw/zinc/45/97/68/844459768.db2.gz HLRVNLUYMODDLE-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090672274 839725596 /nfs/dbraw/zinc/72/55/96/839725596.db2.gz REDXDUTYDIEUPS-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090672274 839725605 /nfs/dbraw/zinc/72/56/05/839725605.db2.gz REDXDUTYDIEUPS-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO N#CCc1cc(NC(=O)C[N@H+]2CC[C@H](O)C2)ccc1F ZINC001186049860 844498033 /nfs/dbraw/zinc/49/80/33/844498033.db2.gz PMHGCWUNMUMGAJ-LBPRGKRZSA-N 1 2 277.299 0.897 20 30 CCEDLO N#CCc1cc(NC(=O)C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC001186049860 844498038 /nfs/dbraw/zinc/49/80/38/844498038.db2.gz PMHGCWUNMUMGAJ-LBPRGKRZSA-N 1 2 277.299 0.897 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)COCC(=O)N2[C@H](C)C(C)=O ZINC001273538238 844702302 /nfs/dbraw/zinc/70/23/02/844702302.db2.gz SBMLWNWNAARROG-GFCCVEGCSA-N 1 2 278.352 0.291 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)nc1 ZINC001148377416 840797174 /nfs/dbraw/zinc/79/71/74/840797174.db2.gz WXXDDGJHSUTRBS-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](C[C@H](C)C(F)(F)F)C2 ZINC001273447996 840929090 /nfs/dbraw/zinc/92/90/90/840929090.db2.gz ZEULHBXZIDHKBB-JTQLQIEISA-N 1 2 290.285 0.731 20 30 CCEDLO CCN(C)c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]cn1 ZINC001171362710 840951770 /nfs/dbraw/zinc/95/17/70/840951770.db2.gz KRJULBHYQJTHFY-KWQFWETISA-N 1 2 265.317 0.581 20 30 CCEDLO CCN(C)c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc[nH+]1 ZINC001171362710 840951779 /nfs/dbraw/zinc/95/17/79/840951779.db2.gz KRJULBHYQJTHFY-KWQFWETISA-N 1 2 265.317 0.581 20 30 CCEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)cc[nH+]1 ZINC001093254537 841199485 /nfs/dbraw/zinc/19/94/85/841199485.db2.gz ACAZRHVYPSWGNY-VIKVFOODSA-N 1 2 284.363 0.995 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036866071 841424067 /nfs/dbraw/zinc/42/40/67/841424067.db2.gz YLLUEWAIMZNXJI-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036866071 841424071 /nfs/dbraw/zinc/42/40/71/841424071.db2.gz YLLUEWAIMZNXJI-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001093699070 841438264 /nfs/dbraw/zinc/43/82/64/841438264.db2.gz WZGIQKYYWZHGPN-UHFFFAOYSA-N 1 2 288.286 0.517 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC001094275565 841581035 /nfs/dbraw/zinc/58/10/35/841581035.db2.gz ARMQFMHBKWDZTD-UHFFFAOYSA-N 1 2 288.311 0.239 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC001094278440 841584146 /nfs/dbraw/zinc/58/41/46/841584146.db2.gz HLFROIDALOZKCX-UHFFFAOYSA-N 1 2 288.311 0.239 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CC=CC3)nn2)C1 ZINC001094281749 841588038 /nfs/dbraw/zinc/58/80/38/841588038.db2.gz ZIJGLQXFSJDHRR-UHFFFAOYSA-N 1 2 299.378 0.741 20 30 CCEDLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173325817 842043433 /nfs/dbraw/zinc/04/34/33/842043433.db2.gz OXMRXEFOLAVACO-MCIGGMRASA-N 1 2 254.330 0.972 20 30 CCEDLO CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095242192 842123903 /nfs/dbraw/zinc/12/39/03/842123903.db2.gz IAPHBTVZHKZFKV-QPSCCSFWSA-N 1 2 275.396 0.825 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173730154 842160359 /nfs/dbraw/zinc/16/03/59/842160359.db2.gz KPMJJMLOKCLVHK-VWYCJHECSA-N 1 2 299.400 0.608 20 30 CCEDLO CC(C)(C#N)CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001174950335 842221793 /nfs/dbraw/zinc/22/17/93/842221793.db2.gz ONMNWWARZHUHER-JTQLQIEISA-N 1 2 250.302 0.369 20 30 CCEDLO CC(C)(C#N)CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001174950335 842221799 /nfs/dbraw/zinc/22/17/99/842221799.db2.gz ONMNWWARZHUHER-JTQLQIEISA-N 1 2 250.302 0.369 20 30 CCEDLO C#CC1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC001176356117 842363758 /nfs/dbraw/zinc/36/37/58/842363758.db2.gz XEMUVJPCAXLIGU-CQSZACIVSA-N 1 2 288.351 0.329 20 30 CCEDLO C#CC1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC001176356117 842363771 /nfs/dbraw/zinc/36/37/71/842363771.db2.gz XEMUVJPCAXLIGU-CQSZACIVSA-N 1 2 288.351 0.329 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019230 842485437 /nfs/dbraw/zinc/48/54/37/842485437.db2.gz JOLBLTSWBYITGS-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019230 842485444 /nfs/dbraw/zinc/48/54/44/842485444.db2.gz JOLBLTSWBYITGS-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO CN(CC(=O)n1nc(N)c(C#N)c1N)c1cccc[nH+]1 ZINC001177409611 842583137 /nfs/dbraw/zinc/58/31/37/842583137.db2.gz OOXYXYTVEZRJHW-UHFFFAOYSA-N 1 2 271.284 0.091 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C#Cc2cccnc2)CC1 ZINC001177777938 842662295 /nfs/dbraw/zinc/66/22/95/842662295.db2.gz ZXRNTZOFGUDVJK-UHFFFAOYSA-N 1 2 255.321 0.763 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)nc2)CC1 ZINC001177878718 842713307 /nfs/dbraw/zinc/71/33/07/842713307.db2.gz YEIRFOJYANGTAA-UHFFFAOYSA-N 1 2 275.352 0.963 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927505 842715515 /nfs/dbraw/zinc/71/55/15/842715515.db2.gz UDUPTUNACJVKKO-LLVKDONJSA-N 1 2 264.329 0.643 20 30 CCEDLO C#Cc1cnc(NC(=O)Cc2cc[nH+]c(N)c2)c(C#C)n1 ZINC001181239869 843424319 /nfs/dbraw/zinc/42/43/19/843424319.db2.gz FNGWDPTWCPUKIC-UHFFFAOYSA-N 1 2 277.287 0.598 20 30 CCEDLO C=C[C@@H]1C[C@]1(NC(=O)Cc1cc[nH+]c(N)c1)C(=O)OCC ZINC001181279477 843441579 /nfs/dbraw/zinc/44/15/79/843441579.db2.gz JTTZBXHRODTWRC-IAQYHMDHSA-N 1 2 289.335 0.830 20 30 CCEDLO CC(C)=CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110262016 843753196 /nfs/dbraw/zinc/75/31/96/843753196.db2.gz NIVPAZHHCQPIHF-UPJWGTAASA-N 1 2 290.367 0.314 20 30 CCEDLO CC(C)=CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110262016 843753200 /nfs/dbraw/zinc/75/32/00/843753200.db2.gz NIVPAZHHCQPIHF-UPJWGTAASA-N 1 2 290.367 0.314 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110295084 843822781 /nfs/dbraw/zinc/82/27/81/843822781.db2.gz JRAPHGYYKDXASJ-LPWJVIDDSA-N 1 2 292.383 0.394 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110295084 843822795 /nfs/dbraw/zinc/82/27/95/843822795.db2.gz JRAPHGYYKDXASJ-LPWJVIDDSA-N 1 2 292.383 0.394 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)NCCC(=O)OCC)CC1 ZINC001187194084 844665176 /nfs/dbraw/zinc/66/51/76/844665176.db2.gz JPBDPZXCSLOYKO-UHFFFAOYSA-N 1 2 269.345 0.453 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001187232410 844673037 /nfs/dbraw/zinc/67/30/37/844673037.db2.gz DLRNHNFQHXTMAF-GXTWGEPZSA-N 1 2 289.383 0.814 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001187232410 844673044 /nfs/dbraw/zinc/67/30/44/844673044.db2.gz DLRNHNFQHXTMAF-GXTWGEPZSA-N 1 2 289.383 0.814 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354372 844881430 /nfs/dbraw/zinc/88/14/30/844881430.db2.gz RXKNXRIISUONOE-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)nc1 ZINC001190590538 845440612 /nfs/dbraw/zinc/44/06/12/845440612.db2.gz XVIRVKSUISSHMF-UHFFFAOYSA-N 1 2 267.292 0.848 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)nc1 ZINC001190597108 845442554 /nfs/dbraw/zinc/44/25/54/845442554.db2.gz GDGXJKYGJKGMDA-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)nc1 ZINC001190597108 845442560 /nfs/dbraw/zinc/44/25/60/845442560.db2.gz GDGXJKYGJKGMDA-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001191068466 845573611 /nfs/dbraw/zinc/57/36/11/845573611.db2.gz OJJDSARFLRJTFY-CHWSQXEVSA-N 1 2 282.384 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001191068466 845573617 /nfs/dbraw/zinc/57/36/17/845573617.db2.gz OJJDSARFLRJTFY-CHWSQXEVSA-N 1 2 282.384 0.234 20 30 CCEDLO C#Cc1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001191116232 845585356 /nfs/dbraw/zinc/58/53/56/845585356.db2.gz FNEOMGZZOYMNMB-CYBMUJFWSA-N 1 2 258.321 0.728 20 30 CCEDLO C#Cc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001191116232 845585358 /nfs/dbraw/zinc/58/53/58/845585358.db2.gz FNEOMGZZOYMNMB-CYBMUJFWSA-N 1 2 258.321 0.728 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001191833119 845747104 /nfs/dbraw/zinc/74/71/04/845747104.db2.gz OSSNWPBLADEOJT-JUBSNLHESA-N 1 2 294.395 0.400 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001191833119 845747108 /nfs/dbraw/zinc/74/71/08/845747108.db2.gz OSSNWPBLADEOJT-JUBSNLHESA-N 1 2 294.395 0.400 20 30 CCEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)CC#N)cn2)CC1 ZINC001192939010 845943754 /nfs/dbraw/zinc/94/37/54/845943754.db2.gz KLSJXIOVNRJPHI-UHFFFAOYSA-N 1 2 283.357 0.415 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193096732 845993119 /nfs/dbraw/zinc/99/31/19/845993119.db2.gz ALXBPOMAMJTNML-LBPRGKRZSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193096732 845993124 /nfs/dbraw/zinc/99/31/24/845993124.db2.gz ALXBPOMAMJTNML-LBPRGKRZSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131988 845997788 /nfs/dbraw/zinc/99/77/88/845997788.db2.gz WPCSRHOKKXIHAW-HLTSFMKQSA-N 1 2 282.237 0.071 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131988 845997795 /nfs/dbraw/zinc/99/77/95/845997795.db2.gz WPCSRHOKKXIHAW-HLTSFMKQSA-N 1 2 282.237 0.071 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC001193198142 846015516 /nfs/dbraw/zinc/01/55/16/846015516.db2.gz GNVUEJYRTLZVQH-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC001193198142 846015521 /nfs/dbraw/zinc/01/55/21/846015521.db2.gz GNVUEJYRTLZVQH-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001193267235 846033929 /nfs/dbraw/zinc/03/39/29/846033929.db2.gz IHJLTQKQTFUZEO-ZIAGYGMSSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001193267235 846033935 /nfs/dbraw/zinc/03/39/35/846033935.db2.gz IHJLTQKQTFUZEO-ZIAGYGMSSA-N 1 2 296.411 0.480 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001194159783 846226548 /nfs/dbraw/zinc/22/65/48/846226548.db2.gz MSNMCZLUGHHCBD-NXEZZACHSA-N 1 2 290.285 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001194159783 846226557 /nfs/dbraw/zinc/22/65/57/846226557.db2.gz MSNMCZLUGHHCBD-NXEZZACHSA-N 1 2 290.285 0.514 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)OC)CC1 ZINC001195137597 846468105 /nfs/dbraw/zinc/46/81/05/846468105.db2.gz JDIAYBUWQPSTRJ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)OC)CC1 ZINC001195137597 846468111 /nfs/dbraw/zinc/46/81/11/846468111.db2.gz JDIAYBUWQPSTRJ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195313864 846504543 /nfs/dbraw/zinc/50/45/43/846504543.db2.gz GEYWDHPLHYGIPE-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195313864 846504551 /nfs/dbraw/zinc/50/45/51/846504551.db2.gz GEYWDHPLHYGIPE-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO C[NH+]1CC2(CN(C(=O)c3ccc(C#N)cc3O)C2)C1 ZINC001195750188 846621135 /nfs/dbraw/zinc/62/11/35/846621135.db2.gz DTQDLPHZXAOSMU-UHFFFAOYSA-N 1 2 257.293 0.651 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785629 846622256 /nfs/dbraw/zinc/62/22/56/846622256.db2.gz SAQVZJQEBDABRF-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785629 846622262 /nfs/dbraw/zinc/62/22/62/846622262.db2.gz SAQVZJQEBDABRF-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(O)cc2)CC1 ZINC001195835096 846637339 /nfs/dbraw/zinc/63/73/39/846637339.db2.gz GLFZZVVHOIVGBO-UHFFFAOYSA-N 1 2 295.364 0.658 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196003236 846663575 /nfs/dbraw/zinc/66/35/75/846663575.db2.gz BBKIOCNBECQYDY-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196003236 846663577 /nfs/dbraw/zinc/66/35/77/846663577.db2.gz BBKIOCNBECQYDY-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273712416 846687015 /nfs/dbraw/zinc/68/70/15/846687015.db2.gz DWWSNVHEBKDSAV-CHWSQXEVSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774423 846804463 /nfs/dbraw/zinc/80/44/63/846804463.db2.gz FFWPXYSJPLQTIX-STQMWFEESA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774423 846804469 /nfs/dbraw/zinc/80/44/69/846804469.db2.gz FFWPXYSJPLQTIX-STQMWFEESA-N 1 2 297.374 0.407 20 30 CCEDLO CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450288 847117720 /nfs/dbraw/zinc/11/77/20/847117720.db2.gz VXCMXJDNPJZQKZ-VXGBXAGGSA-N 1 2 275.356 0.963 20 30 CCEDLO CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450288 847117726 /nfs/dbraw/zinc/11/77/26/847117726.db2.gz VXCMXJDNPJZQKZ-VXGBXAGGSA-N 1 2 275.356 0.963 20 30 CCEDLO C=CCNC(=S)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001200301522 847602883 /nfs/dbraw/zinc/60/28/83/847602883.db2.gz CENUIFIVMHKCHX-JTQLQIEISA-N 1 2 282.369 0.154 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001273822310 847606976 /nfs/dbraw/zinc/60/69/76/847606976.db2.gz KUJDMZZCFGHQQF-LBPRGKRZSA-N 1 2 287.367 0.167 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2CCS(=O)(=O)CC)C1=O ZINC001273832133 847615616 /nfs/dbraw/zinc/61/56/16/847615616.db2.gz QALSKCKFIWSJJG-AWEZNQCLSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2CCS(=O)(=O)CC)C1=O ZINC001273832133 847615620 /nfs/dbraw/zinc/61/56/20/847615620.db2.gz QALSKCKFIWSJJG-AWEZNQCLSA-N 1 2 298.408 0.121 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001273882408 847728667 /nfs/dbraw/zinc/72/86/67/847728667.db2.gz YQIARLIYYLGFNP-LBPRGKRZSA-N 1 2 268.357 0.247 20 30 CCEDLO COCCOCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031166 848311874 /nfs/dbraw/zinc/31/18/74/848311874.db2.gz JGFJZBNEQJWKEA-OAHLLOKOSA-N 1 2 295.383 0.978 20 30 CCEDLO COCCOCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031166 848311884 /nfs/dbraw/zinc/31/18/84/848311884.db2.gz JGFJZBNEQJWKEA-OAHLLOKOSA-N 1 2 295.383 0.978 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@H](C)CO)C[C@@]2(F)C1=O ZINC001274068946 848336088 /nfs/dbraw/zinc/33/60/88/848336088.db2.gz PWKNNFGIWBIWNP-WCFLWFBJSA-N 1 2 274.311 0.375 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@H](C)CO)C[C@@]2(F)C1=O ZINC001274068946 848336093 /nfs/dbraw/zinc/33/60/93/848336093.db2.gz PWKNNFGIWBIWNP-WCFLWFBJSA-N 1 2 274.311 0.375 20 30 CCEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000717824604 848398877 /nfs/dbraw/zinc/39/88/77/848398877.db2.gz YUSMNMMUPWCNTD-LLVKDONJSA-N 1 2 281.381 0.990 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@@](C)(O)C=C)C2)OCC1=O ZINC001274614622 848523392 /nfs/dbraw/zinc/52/33/92/848523392.db2.gz JTHXARLIVYPAHY-ZDUSSCGKSA-N 1 2 266.341 0.023 20 30 CCEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cn[nH]n4)C3)C2)cc1C#N ZINC001275229946 848674222 /nfs/dbraw/zinc/67/42/22/848674222.db2.gz WZFNLJKBSJALMK-UHFFFAOYSA-N 1 2 297.366 0.333 20 30 CCEDLO C[C@H](NCC#N)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275402793 848711548 /nfs/dbraw/zinc/71/15/48/848711548.db2.gz CZWJOFGBSNUHPX-RYUDHWBXSA-N 1 2 289.383 0.768 20 30 CCEDLO C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)N(C)CC#N ZINC001275867135 848852395 /nfs/dbraw/zinc/85/23/95/848852395.db2.gz ZLUUSAAIHIQORN-RYUDHWBXSA-N 1 2 275.356 0.406 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001095617263 849000185 /nfs/dbraw/zinc/00/01/85/849000185.db2.gz ALQUWYWJTRFKQS-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO N#CC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000932895954 849054644 /nfs/dbraw/zinc/05/46/44/849054644.db2.gz VMFVSTLLIYOWHT-IONNQARKSA-N 1 2 287.245 0.952 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095866890 849205724 /nfs/dbraw/zinc/20/57/24/849205724.db2.gz RZDYSLAKQKGRTF-WYUUTHIRSA-N 1 2 297.786 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095866890 849205729 /nfs/dbraw/zinc/20/57/29/849205729.db2.gz RZDYSLAKQKGRTF-WYUUTHIRSA-N 1 2 297.786 0.597 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038620943 849676872 /nfs/dbraw/zinc/67/68/72/849676872.db2.gz GGHKBDWDNVAISJ-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038620943 849676875 /nfs/dbraw/zinc/67/68/75/849676875.db2.gz GGHKBDWDNVAISJ-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C[C@@H](NC(=O)C=C1CCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276369157 849763964 /nfs/dbraw/zinc/76/39/64/849763964.db2.gz NUDVLHJTNUHSTE-LLVKDONJSA-N 1 2 290.367 0.173 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001038638372 849779020 /nfs/dbraw/zinc/77/90/20/849779020.db2.gz INAQZOQMKJJJTB-CHWSQXEVSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001038638372 849779029 /nfs/dbraw/zinc/77/90/29/849779029.db2.gz INAQZOQMKJJJTB-CHWSQXEVSA-N 1 2 299.365 0.787 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276377155 849796554 /nfs/dbraw/zinc/79/65/54/849796554.db2.gz SVWMOZZGWKINRN-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038245932 849828870 /nfs/dbraw/zinc/82/88/70/849828870.db2.gz MCSDJUMEPOZDID-NWDGAFQWSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038245932 849828876 /nfs/dbraw/zinc/82/88/76/849828876.db2.gz MCSDJUMEPOZDID-NWDGAFQWSA-N 1 2 272.352 0.653 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038270202 849835747 /nfs/dbraw/zinc/83/57/47/849835747.db2.gz STJCSOCFAJAWMD-CYBMUJFWSA-N 1 2 287.367 0.831 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038270202 849835750 /nfs/dbraw/zinc/83/57/50/849835750.db2.gz STJCSOCFAJAWMD-CYBMUJFWSA-N 1 2 287.367 0.831 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001038327658 849855049 /nfs/dbraw/zinc/85/50/49/849855049.db2.gz KHAPQCSCLOIQQR-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001038327658 849855052 /nfs/dbraw/zinc/85/50/52/849855052.db2.gz KHAPQCSCLOIQQR-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038420179 849890524 /nfs/dbraw/zinc/89/05/24/849890524.db2.gz YMIQKVXDPSDZPU-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038420179 849890533 /nfs/dbraw/zinc/89/05/33/849890533.db2.gz YMIQKVXDPSDZPU-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038423775 849890858 /nfs/dbraw/zinc/89/08/58/849890858.db2.gz FORXEWWSPSEYEX-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038423775 849890866 /nfs/dbraw/zinc/89/08/66/849890866.db2.gz FORXEWWSPSEYEX-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038449121 849902121 /nfs/dbraw/zinc/90/21/21/849902121.db2.gz PSULFZLNVHWDMJ-LLVKDONJSA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038449121 849902127 /nfs/dbraw/zinc/90/21/27/849902127.db2.gz PSULFZLNVHWDMJ-LLVKDONJSA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038443636 849903255 /nfs/dbraw/zinc/90/32/55/849903255.db2.gz VFTFWORKUUMQLV-JTQLQIEISA-N 1 2 258.325 0.336 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038443636 849903262 /nfs/dbraw/zinc/90/32/62/849903262.db2.gz VFTFWORKUUMQLV-JTQLQIEISA-N 1 2 258.325 0.336 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001038454800 849909814 /nfs/dbraw/zinc/90/98/14/849909814.db2.gz OAUBFWKHMBYKEH-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001038454800 849909826 /nfs/dbraw/zinc/90/98/26/849909826.db2.gz OAUBFWKHMBYKEH-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038476764 849918859 /nfs/dbraw/zinc/91/88/59/849918859.db2.gz QWTKGNHUXLVXIE-DZGCQCFKSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038476764 849918861 /nfs/dbraw/zinc/91/88/61/849918861.db2.gz QWTKGNHUXLVXIE-DZGCQCFKSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038586233 849951285 /nfs/dbraw/zinc/95/12/85/849951285.db2.gz NXWKXPWCLCNYJX-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038586233 849951287 /nfs/dbraw/zinc/95/12/87/849951287.db2.gz NXWKXPWCLCNYJX-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]2CC#CC)nn1 ZINC001038789114 850017365 /nfs/dbraw/zinc/01/73/65/850017365.db2.gz DASAEYMDIKRGBS-CYBMUJFWSA-N 1 2 287.367 0.682 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)nn1 ZINC001038789114 850017372 /nfs/dbraw/zinc/01/73/72/850017372.db2.gz DASAEYMDIKRGBS-CYBMUJFWSA-N 1 2 287.367 0.682 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038826731 850032319 /nfs/dbraw/zinc/03/23/19/850032319.db2.gz NZYZHWBAVAXSHN-ZDUSSCGKSA-N 1 2 274.368 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038826731 850032327 /nfs/dbraw/zinc/03/23/27/850032327.db2.gz NZYZHWBAVAXSHN-ZDUSSCGKSA-N 1 2 274.368 0.957 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001038857089 850053698 /nfs/dbraw/zinc/05/36/98/850053698.db2.gz MPDKPAAFZQGVEJ-GFCCVEGCSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001038857089 850053705 /nfs/dbraw/zinc/05/37/05/850053705.db2.gz MPDKPAAFZQGVEJ-GFCCVEGCSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903112 850077776 /nfs/dbraw/zinc/07/77/76/850077776.db2.gz WHDQDFBLVJVEIR-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903112 850077784 /nfs/dbraw/zinc/07/77/84/850077784.db2.gz WHDQDFBLVJVEIR-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001038916618 850085850 /nfs/dbraw/zinc/08/58/50/850085850.db2.gz FSRROLIGQVPKFT-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001038916618 850085859 /nfs/dbraw/zinc/08/58/59/850085859.db2.gz FSRROLIGQVPKFT-VXGBXAGGSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038970567 850105702 /nfs/dbraw/zinc/10/57/02/850105702.db2.gz ZLUAAKLZELXQGL-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038970567 850105708 /nfs/dbraw/zinc/10/57/08/850105708.db2.gz ZLUAAKLZELXQGL-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038968862 850106151 /nfs/dbraw/zinc/10/61/51/850106151.db2.gz VCHJWHNIRYGMQU-LLVKDONJSA-N 1 2 278.331 0.695 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038968862 850106155 /nfs/dbraw/zinc/10/61/55/850106155.db2.gz VCHJWHNIRYGMQU-LLVKDONJSA-N 1 2 278.331 0.695 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001039071154 850146816 /nfs/dbraw/zinc/14/68/16/850146816.db2.gz GGNWBZVBVYWXQU-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001039071154 850146820 /nfs/dbraw/zinc/14/68/20/850146820.db2.gz GGNWBZVBVYWXQU-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001039102666 850155973 /nfs/dbraw/zinc/15/59/73/850155973.db2.gz HRUZUSXQNGYDRT-LBPRGKRZSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001039102666 850155976 /nfs/dbraw/zinc/15/59/76/850155976.db2.gz HRUZUSXQNGYDRT-LBPRGKRZSA-N 1 2 298.346 0.716 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@@H]21 ZINC001042306449 850611866 /nfs/dbraw/zinc/61/18/66/850611866.db2.gz GUHHISPWLQFYEM-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@@H]21 ZINC001042306449 850611872 /nfs/dbraw/zinc/61/18/72/850611872.db2.gz GUHHISPWLQFYEM-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001042524704 850681133 /nfs/dbraw/zinc/68/11/33/850681133.db2.gz TZECYBTURGQQCK-NWDGAFQWSA-N 1 2 266.341 0.514 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001043094321 850811858 /nfs/dbraw/zinc/81/18/58/850811858.db2.gz XZOFFJUNXHUVJL-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001043261626 850844302 /nfs/dbraw/zinc/84/43/02/850844302.db2.gz VVJVEFGVZWURPC-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001043287009 850846757 /nfs/dbraw/zinc/84/67/57/850846757.db2.gz OEMINPLURJYBQP-LLVKDONJSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C)nn2C)C1 ZINC001043332532 850854631 /nfs/dbraw/zinc/85/46/31/850854631.db2.gz QFDSYGVSLCCGQQ-UHFFFAOYSA-N 1 2 262.357 0.600 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(CC#N)C1 ZINC001043453180 850874642 /nfs/dbraw/zinc/87/46/42/850874642.db2.gz JSHBLOKPWDNEEI-CQSZACIVSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(CC#N)C1 ZINC001043453180 850874651 /nfs/dbraw/zinc/87/46/51/850874651.db2.gz JSHBLOKPWDNEEI-CQSZACIVSA-N 1 2 294.399 0.153 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(N)=O)co2)C1 ZINC001043839709 850947825 /nfs/dbraw/zinc/94/78/25/850947825.db2.gz DILJBFOPVFQXER-UHFFFAOYSA-N 1 2 275.308 0.158 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccnc(OC)c2)C1 ZINC001043883110 850957548 /nfs/dbraw/zinc/95/75/48/850957548.db2.gz WTLRQVMXSVKQQU-UHFFFAOYSA-N 1 2 275.352 0.961 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001044168269 851030665 /nfs/dbraw/zinc/03/06/65/851030665.db2.gz GSLCYNUWQGHMDM-GFCCVEGCSA-N 1 2 280.372 0.248 20 30 CCEDLO C#CCN1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044189199 851037804 /nfs/dbraw/zinc/03/78/04/851037804.db2.gz VTXVWVZYPVBKIL-UHFFFAOYSA-N 1 2 260.341 0.463 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001044349551 851082068 /nfs/dbraw/zinc/08/20/68/851082068.db2.gz YKEGLXCRTOIBJM-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046020717 851356056 /nfs/dbraw/zinc/35/60/56/851356056.db2.gz XBZGGJPEXUTWBB-UONOGXRCSA-N 1 2 290.411 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046544793 851539778 /nfs/dbraw/zinc/53/97/78/851539778.db2.gz TUYKWFBKLLQJEA-NSHDSACASA-N 1 2 284.751 0.157 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046544793 851539784 /nfs/dbraw/zinc/53/97/84/851539784.db2.gz TUYKWFBKLLQJEA-NSHDSACASA-N 1 2 284.751 0.157 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001047445457 851767039 /nfs/dbraw/zinc/76/70/39/851767039.db2.gz XOOXODYIHAXTMJ-HOTGVXAUSA-N 1 2 299.374 0.709 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001047445457 851767046 /nfs/dbraw/zinc/76/70/46/851767046.db2.gz XOOXODYIHAXTMJ-HOTGVXAUSA-N 1 2 299.374 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001047576046 851823867 /nfs/dbraw/zinc/82/38/67/851823867.db2.gz QVHMJZCPZXXYON-QWRGUYRKSA-N 1 2 278.308 0.039 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001047576046 851823873 /nfs/dbraw/zinc/82/38/73/851823873.db2.gz QVHMJZCPZXXYON-QWRGUYRKSA-N 1 2 278.308 0.039 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844895 852382738 /nfs/dbraw/zinc/38/27/38/852382738.db2.gz VNYTYXWJSLIPMS-OLZOCXBDSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844895 852382742 /nfs/dbraw/zinc/38/27/42/852382742.db2.gz VNYTYXWJSLIPMS-OLZOCXBDSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1O)C2 ZINC001096990878 852480424 /nfs/dbraw/zinc/48/04/24/852480424.db2.gz XJJBMXNZCXXKPB-UTUOFQBUSA-N 1 2 271.320 0.756 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1O)C2 ZINC001096990878 852480427 /nfs/dbraw/zinc/48/04/27/852480427.db2.gz XJJBMXNZCXXKPB-UTUOFQBUSA-N 1 2 271.320 0.756 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052822852 852659667 /nfs/dbraw/zinc/65/96/67/852659667.db2.gz TUNVVTBXFARZSE-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CSC)CCO2 ZINC001053142779 852693349 /nfs/dbraw/zinc/69/33/49/852693349.db2.gz AHMBIPXAKDFGSS-UHFFFAOYSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001053190781 852706867 /nfs/dbraw/zinc/70/68/67/852706867.db2.gz DZXOSEMIJJTZPW-LBPRGKRZSA-N 1 2 263.341 0.635 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC1)CO2 ZINC001053713462 852786366 /nfs/dbraw/zinc/78/63/66/852786366.db2.gz LSTZCUVJSXURQA-LBPRGKRZSA-N 1 2 250.342 0.932 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)nc1)CO2 ZINC001053741400 852797296 /nfs/dbraw/zinc/79/72/96/852797296.db2.gz HTXGMFBGGJXAKI-OAHLLOKOSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)nc1)CO2 ZINC001053741399 852798094 /nfs/dbraw/zinc/79/80/94/852798094.db2.gz HTXGMFBGGJXAKI-HNNXBMFYSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCOC1)CO2 ZINC001053752253 852804319 /nfs/dbraw/zinc/80/43/19/852804319.db2.gz VXUPBWKOMIOXCV-QWHCGFSZSA-N 1 2 280.368 0.559 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCOC1)CO2 ZINC001053755936 852807087 /nfs/dbraw/zinc/80/70/87/852807087.db2.gz LZBFSAUVYVZLEF-UONOGXRCSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC=CC1)CO2 ZINC001053761413 852810856 /nfs/dbraw/zinc/81/08/56/852810856.db2.gz ARPKULLUJSCDJW-CQSZACIVSA-N 1 2 274.364 0.935 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)cn1)CO2 ZINC001053776466 852816755 /nfs/dbraw/zinc/81/67/55/852816755.db2.gz YQKFRTSLWNXKCG-GFCCVEGCSA-N 1 2 288.351 0.017 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(OC)C1)CO2 ZINC001053842327 852832684 /nfs/dbraw/zinc/83/26/84/852832684.db2.gz JEOFCWVQJVQUCM-MOKVOYLWSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)O)C3)C2)C1 ZINC001053919617 852847497 /nfs/dbraw/zinc/84/74/97/852847497.db2.gz PNFGNLOSKHSRSR-QWHCGFSZSA-N 1 2 294.395 0.683 20 30 CCEDLO Cc1cc(N[C@H](C)CNC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001097921149 852870861 /nfs/dbraw/zinc/87/08/61/852870861.db2.gz FGTLESAQIOOZPC-GFCCVEGCSA-N 1 2 298.350 0.497 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001097921112 852871456 /nfs/dbraw/zinc/87/14/56/852871456.db2.gz CYXJVRGXXDRPRF-NSHDSACASA-N 1 2 284.323 0.188 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]cnc1C)CO2 ZINC001054026104 852873227 /nfs/dbraw/zinc/87/32/27/852873227.db2.gz QHLGALRNMODNMD-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NCC#N ZINC001054722115 853003092 /nfs/dbraw/zinc/00/30/92/853003092.db2.gz PPZGVKXFUXMPNC-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC001054722115 853003097 /nfs/dbraw/zinc/00/30/97/853003097.db2.gz PPZGVKXFUXMPNC-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1ccncc1C#N ZINC001097975407 853059332 /nfs/dbraw/zinc/05/93/32/853059332.db2.gz RANIKXRWYCMQIF-SNVBAGLBSA-N 1 2 298.350 0.566 20 30 CCEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001056658484 853180809 /nfs/dbraw/zinc/18/08/09/853180809.db2.gz UCBMEGDCWONRMR-LLVKDONJSA-N 1 2 297.322 0.258 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnccn1 ZINC001050802875 853439225 /nfs/dbraw/zinc/43/92/25/853439225.db2.gz RYIWBIRBFYOSQN-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnccn1 ZINC001050802875 853439226 /nfs/dbraw/zinc/43/92/26/853439226.db2.gz RYIWBIRBFYOSQN-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C ZINC001050836985 853453450 /nfs/dbraw/zinc/45/34/50/853453450.db2.gz VBDAHQUGPSPOQL-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C ZINC001050836985 853453451 /nfs/dbraw/zinc/45/34/51/853453451.db2.gz VBDAHQUGPSPOQL-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C ZINC001050836989 853453512 /nfs/dbraw/zinc/45/35/12/853453512.db2.gz VBDAHQUGPSPOQL-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C ZINC001050836989 853453515 /nfs/dbraw/zinc/45/35/15/853453515.db2.gz VBDAHQUGPSPOQL-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050871650 853468994 /nfs/dbraw/zinc/46/89/94/853468994.db2.gz GIZYWUUFVKKAIS-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050871650 853468997 /nfs/dbraw/zinc/46/89/97/853468997.db2.gz GIZYWUUFVKKAIS-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001050892147 853477416 /nfs/dbraw/zinc/47/74/16/853477416.db2.gz RTZAPGAMZFOXJX-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001050892147 853477422 /nfs/dbraw/zinc/47/74/22/853477422.db2.gz RTZAPGAMZFOXJX-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)COC)C2)CC1 ZINC001051956844 853662648 /nfs/dbraw/zinc/66/26/48/853662648.db2.gz VQRASSPWIDMQMG-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051977935 853668241 /nfs/dbraw/zinc/66/82/41/853668241.db2.gz KBNWFCNRXMTBND-CQSZACIVSA-N 1 2 295.452 0.591 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051980369 853669023 /nfs/dbraw/zinc/66/90/23/853669023.db2.gz FKWQAXDXXOHTQW-AWEZNQCLSA-N 1 2 288.351 0.635 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001051995345 853671618 /nfs/dbraw/zinc/67/16/18/853671618.db2.gz BVQOXZXRAKIFBU-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](F)C(C)C)C2)CC1 ZINC001052067448 853680912 /nfs/dbraw/zinc/68/09/12/853680912.db2.gz JYXWYBZDWYBLTE-HUUCEWRRSA-N 1 2 295.402 0.832 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001276380985 853883874 /nfs/dbraw/zinc/88/38/74/853883874.db2.gz GXSJCYGXXXRFIY-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C/C=C(/C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070636768 854084306 /nfs/dbraw/zinc/08/43/06/854084306.db2.gz KVGNTQSFEVGEBH-ZYFYVMIWSA-N 1 2 287.367 0.794 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)F)CC1 ZINC001070930199 854103494 /nfs/dbraw/zinc/10/34/94/854103494.db2.gz PEMTWPVMQRYOJY-UHFFFAOYSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)F)CC1 ZINC001070930199 854103499 /nfs/dbraw/zinc/10/34/99/854103499.db2.gz PEMTWPVMQRYOJY-UHFFFAOYSA-N 1 2 299.390 0.961 20 30 CCEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)F)CC1 ZINC001070930101 854103646 /nfs/dbraw/zinc/10/36/46/854103646.db2.gz JWDHAYGDMCUBSP-UHFFFAOYSA-N 1 2 297.374 0.408 20 30 CCEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)F)CC1 ZINC001070930101 854103649 /nfs/dbraw/zinc/10/36/49/854103649.db2.gz JWDHAYGDMCUBSP-UHFFFAOYSA-N 1 2 297.374 0.408 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001070956506 854110596 /nfs/dbraw/zinc/11/05/96/854110596.db2.gz QKXNDKKPEOCYTA-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001070956506 854110598 /nfs/dbraw/zinc/11/05/98/854110598.db2.gz QKXNDKKPEOCYTA-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071806556 854296208 /nfs/dbraw/zinc/29/62/08/854296208.db2.gz FDKYQJRHJDJMBT-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071806556 854296214 /nfs/dbraw/zinc/29/62/14/854296214.db2.gz FDKYQJRHJDJMBT-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CC[N@@H+](CC[C@H]1CCNC1=O)CC(=O)OCC ZINC000395877435 854348184 /nfs/dbraw/zinc/34/81/84/854348184.db2.gz HKFLCJMTOCVXDD-LLVKDONJSA-N 1 2 254.330 0.564 20 30 CCEDLO C=CC[N@H+](CC[C@H]1CCNC1=O)CC(=O)OCC ZINC000395877435 854348190 /nfs/dbraw/zinc/34/81/90/854348190.db2.gz HKFLCJMTOCVXDD-LLVKDONJSA-N 1 2 254.330 0.564 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001072602713 854426926 /nfs/dbraw/zinc/42/69/26/854426926.db2.gz LQWBTOMFNPMJMT-VXGBXAGGSA-N 1 2 290.367 0.882 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001074159074 854681940 /nfs/dbraw/zinc/68/19/40/854681940.db2.gz YFMCDDCYVSJFIJ-OLZOCXBDSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001074159074 854681944 /nfs/dbraw/zinc/68/19/44/854681944.db2.gz YFMCDDCYVSJFIJ-OLZOCXBDSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001074159076 854682236 /nfs/dbraw/zinc/68/22/36/854682236.db2.gz YFMCDDCYVSJFIJ-STQMWFEESA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001074159076 854682239 /nfs/dbraw/zinc/68/22/39/854682239.db2.gz YFMCDDCYVSJFIJ-STQMWFEESA-N 1 2 282.409 0.674 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074312043 854709081 /nfs/dbraw/zinc/70/90/81/854709081.db2.gz GKRGATDBXNLGFY-KGLIPLIRSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074312043 854709084 /nfs/dbraw/zinc/70/90/84/854709084.db2.gz GKRGATDBXNLGFY-KGLIPLIRSA-N 1 2 296.411 0.883 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)CSCC#N)cc[nH+]1 ZINC001099937501 855038258 /nfs/dbraw/zinc/03/82/58/855038258.db2.gz PHMMAUCFDNXTFG-UHFFFAOYSA-N 1 2 279.369 0.594 20 30 CCEDLO Cc1nc(NCCN(C)C(=O)CSCC#N)cc[nH+]1 ZINC001101513567 855303521 /nfs/dbraw/zinc/30/35/21/855303521.db2.gz CNPIQULIDOPSCO-UHFFFAOYSA-N 1 2 279.369 0.912 20 30 CCEDLO C#CCOCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101780302 855366202 /nfs/dbraw/zinc/36/62/02/855366202.db2.gz YKXNQERTMZVSSW-UHFFFAOYSA-N 1 2 276.340 0.695 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001103334704 855512818 /nfs/dbraw/zinc/51/28/18/855512818.db2.gz KJTLALIUPOJRLE-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1nccnc1C#N ZINC001104002506 855560043 /nfs/dbraw/zinc/56/00/43/855560043.db2.gz UBYPWUMRUVITEB-NSHDSACASA-N 1 2 299.338 0.409 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089998 855567274 /nfs/dbraw/zinc/56/72/74/855567274.db2.gz UBVDADWXXYAUCM-LBPRGKRZSA-N 1 2 290.367 0.989 20 30 CCEDLO N#CCc1cccc(S(=O)(=O)NCC[NH+]2CC=CC2)c1 ZINC001116891374 855859508 /nfs/dbraw/zinc/85/95/08/855859508.db2.gz ZVWSQJULBUOGJW-UHFFFAOYSA-N 1 2 291.376 0.903 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001117786007 856079469 /nfs/dbraw/zinc/07/94/69/856079469.db2.gz DEFSLMGENKTYJM-GHMZBOCLSA-N 1 2 260.297 0.196 20 30 CCEDLO Cc1nc([C@@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)no1 ZINC001118149766 856175223 /nfs/dbraw/zinc/17/52/23/856175223.db2.gz OMVGVIVHYGWDDG-MWLCHTKSSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1nc([C@@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)no1 ZINC001118149766 856175226 /nfs/dbraw/zinc/17/52/26/856175226.db2.gz OMVGVIVHYGWDDG-MWLCHTKSSA-N 1 2 267.333 0.235 20 30 CCEDLO C=CC[NH+]1CCN([C@@]2(C(=O)OC)CCOC2)CC1 ZINC001118831254 856457025 /nfs/dbraw/zinc/45/70/25/856457025.db2.gz QLEYMUXQBCTEHV-ZDUSSCGKSA-N 1 2 254.330 0.122 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCOC(C)(C)C1)C1CC1 ZINC001119737410 856862613 /nfs/dbraw/zinc/86/26/13/856862613.db2.gz BHHHQARREJOKGG-UHFFFAOYSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCOC(C)(C)C1)C1CC1 ZINC001119737410 856862617 /nfs/dbraw/zinc/86/26/17/856862617.db2.gz BHHHQARREJOKGG-UHFFFAOYSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001323287673 912243709 /nfs/dbraw/zinc/24/37/09/912243709.db2.gz SWOAAUKJVJRBBE-GFCCVEGCSA-N 1 2 273.336 0.838 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001323287673 912243722 /nfs/dbraw/zinc/24/37/22/912243722.db2.gz SWOAAUKJVJRBBE-GFCCVEGCSA-N 1 2 273.336 0.838 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001323287845 912244883 /nfs/dbraw/zinc/24/48/83/912244883.db2.gz UZNLZNNQMDPOCB-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001323287845 912244897 /nfs/dbraw/zinc/24/48/97/912244897.db2.gz UZNLZNNQMDPOCB-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CCC(C)C ZINC001323321405 912266321 /nfs/dbraw/zinc/26/63/21/912266321.db2.gz YPSLNKHMZSWSLE-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)CCC(C)C ZINC001323321405 912266337 /nfs/dbraw/zinc/26/63/37/912266337.db2.gz YPSLNKHMZSWSLE-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC001393597603 912671803 /nfs/dbraw/zinc/67/18/03/912671803.db2.gz HGVHISYELVVMET-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC001393597603 912671814 /nfs/dbraw/zinc/67/18/14/912671814.db2.gz HGVHISYELVVMET-RYUDHWBXSA-N 1 2 290.371 0.445 20 30 CCEDLO C#CCN(CC1CC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001324235894 912730678 /nfs/dbraw/zinc/73/06/78/912730678.db2.gz NZDBMIODPJTVBZ-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCN(CC1CC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001324235894 912730692 /nfs/dbraw/zinc/73/06/92/912730692.db2.gz NZDBMIODPJTVBZ-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)C(F)(F)F)C1 ZINC001325311406 913334370 /nfs/dbraw/zinc/33/43/70/913334370.db2.gz FJZVJLAQMWQJET-UHFFFAOYSA-N 1 2 292.301 0.761 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1conc1C ZINC001480863370 891409739 /nfs/dbraw/zinc/40/97/39/891409739.db2.gz WUPMIBDNOUYGQQ-GFCCVEGCSA-N 1 2 279.340 0.569 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1conc1C ZINC001480863370 891409746 /nfs/dbraw/zinc/40/97/46/891409746.db2.gz WUPMIBDNOUYGQQ-GFCCVEGCSA-N 1 2 279.340 0.569 20 30 CCEDLO C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)N(C)CC#N ZINC001282391527 891430916 /nfs/dbraw/zinc/43/09/16/891430916.db2.gz PJMFJVJNZIGNMT-LBPRGKRZSA-N 1 2 289.383 0.722 20 30 CCEDLO CCNc1cc(CNC(=O)NCC#CCO)cc[nH+]1 ZINC001346633447 891500080 /nfs/dbraw/zinc/50/00/80/891500080.db2.gz YQKSUNZFSYEOCQ-UHFFFAOYSA-N 1 2 262.313 0.308 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NCCN(C)CC#N ZINC001480880933 891524825 /nfs/dbraw/zinc/52/48/25/891524825.db2.gz ZIIDXIWCIYIDCV-UHFFFAOYSA-N 1 2 262.313 0.204 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001408617314 891936461 /nfs/dbraw/zinc/93/64/61/891936461.db2.gz NZUUZVWMVFZSQN-SNVBAGLBSA-N 1 2 299.334 0.911 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)o1 ZINC001419658615 891979842 /nfs/dbraw/zinc/97/98/42/891979842.db2.gz XTMQEWUMTRFVRY-ZJUUUORDSA-N 1 2 279.344 0.728 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001480984254 892015655 /nfs/dbraw/zinc/01/56/55/892015655.db2.gz WFPHRHWBLBLZDV-LBPRGKRZSA-N 1 2 275.356 0.407 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480984251 892016218 /nfs/dbraw/zinc/01/62/18/892016218.db2.gz WFPHRHWBLBLZDV-GFCCVEGCSA-N 1 2 275.356 0.407 20 30 CCEDLO CC(C)[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481060828 892118908 /nfs/dbraw/zinc/11/89/08/892118908.db2.gz YEHWIJYBJLWVRQ-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481060828 892118913 /nfs/dbraw/zinc/11/89/13/892118913.db2.gz YEHWIJYBJLWVRQ-STQMWFEESA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001408673660 892153212 /nfs/dbraw/zinc/15/32/12/892153212.db2.gz DEYJUKWFAOAVJB-GFCCVEGCSA-N 1 2 291.355 0.398 20 30 CCEDLO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1cn[nH]n1 ZINC001481141468 892226359 /nfs/dbraw/zinc/22/63/59/892226359.db2.gz VMNCKXCZLSXXBA-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1cn[nH]n1 ZINC001481141468 892226375 /nfs/dbraw/zinc/22/63/75/892226375.db2.gz VMNCKXCZLSXXBA-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1cnn[nH]1 ZINC001481141468 892226393 /nfs/dbraw/zinc/22/63/93/892226393.db2.gz VMNCKXCZLSXXBA-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1cnn[nH]1 ZINC001481141468 892226401 /nfs/dbraw/zinc/22/64/01/892226401.db2.gz VMNCKXCZLSXXBA-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO CCOc1nnc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)s1 ZINC001481214918 892363431 /nfs/dbraw/zinc/36/34/31/892363431.db2.gz CLYCTMSYDGVBPA-SECBINFHSA-N 1 2 297.384 0.644 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001481551035 892812276 /nfs/dbraw/zinc/81/22/76/892812276.db2.gz SZMHTNNBYOEIEQ-YPMHNXCESA-N 1 2 268.357 0.557 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2ccn(C)n2)C1 ZINC001481563655 892837495 /nfs/dbraw/zinc/83/74/95/892837495.db2.gz TXBMQGHQOBKCDW-UHFFFAOYSA-N 1 2 262.357 0.729 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(CC)CC)C1 ZINC001481613679 892904411 /nfs/dbraw/zinc/90/44/11/892904411.db2.gz VZLHNDDIXAGAKQ-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccn(C)n2)C1 ZINC001481624021 892923251 /nfs/dbraw/zinc/92/32/51/892923251.db2.gz JVXNLRZGTFFJPG-UHFFFAOYSA-N 1 2 282.775 0.763 20 30 CCEDLO Cc1cc(C[NH+]2CC(CNC(=O)C#CC3CC3)C2)ncn1 ZINC001481623931 892924773 /nfs/dbraw/zinc/92/47/73/892924773.db2.gz GVRMVQHYAICZCF-UHFFFAOYSA-N 1 2 284.363 0.746 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001481698282 893030038 /nfs/dbraw/zinc/03/00/38/893030038.db2.gz XIRGDNZQZXYSBM-GFCCVEGCSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001481698282 893030061 /nfs/dbraw/zinc/03/00/61/893030061.db2.gz XIRGDNZQZXYSBM-GFCCVEGCSA-N 1 2 299.440 0.621 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001493498561 893437499 /nfs/dbraw/zinc/43/74/99/893437499.db2.gz CACKNXGAXZBPEA-UWVGGRQHSA-N 1 2 295.343 0.485 20 30 CCEDLO C[C@H](CNCC#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482336271 893883190 /nfs/dbraw/zinc/88/31/90/893883190.db2.gz BKQBFYFFTPRYHE-NWDGAFQWSA-N 1 2 263.345 0.794 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc[nH]1 ZINC001482579491 894275115 /nfs/dbraw/zinc/27/51/15/894275115.db2.gz YGPRYQZEZGNPAI-UHFFFAOYSA-N 1 2 278.356 0.321 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc[nH]1 ZINC001482579491 894275133 /nfs/dbraw/zinc/27/51/33/894275133.db2.gz YGPRYQZEZGNPAI-UHFFFAOYSA-N 1 2 278.356 0.321 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001482586909 894295951 /nfs/dbraw/zinc/29/59/51/894295951.db2.gz SIJVCCVARURGJF-NSHDSACASA-N 1 2 263.345 0.470 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001482586909 894295964 /nfs/dbraw/zinc/29/59/64/894295964.db2.gz SIJVCCVARURGJF-NSHDSACASA-N 1 2 263.345 0.470 20 30 CCEDLO COCC#CC[N@H+](C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001482598922 894379409 /nfs/dbraw/zinc/37/94/09/894379409.db2.gz XDTVFDBFNXNILI-JTQLQIEISA-N 1 2 298.280 0.927 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001482598922 894379435 /nfs/dbraw/zinc/37/94/35/894379435.db2.gz XDTVFDBFNXNILI-JTQLQIEISA-N 1 2 298.280 0.927 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001482635749 894436456 /nfs/dbraw/zinc/43/64/56/894436456.db2.gz IPLSEMODTUJOJW-UHFFFAOYSA-N 1 2 257.725 0.561 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001482635749 894436460 /nfs/dbraw/zinc/43/64/60/894436460.db2.gz IPLSEMODTUJOJW-UHFFFAOYSA-N 1 2 257.725 0.561 20 30 CCEDLO CCn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N)n1 ZINC001482992123 894780348 /nfs/dbraw/zinc/78/03/48/894780348.db2.gz VPWYCQFNWYHTBD-ZWNMCFTASA-N 1 2 276.344 0.220 20 30 CCEDLO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc(C)c1C ZINC001483115308 894934420 /nfs/dbraw/zinc/93/44/20/894934420.db2.gz DALKOMGBMRWFQX-SECBINFHSA-N 1 2 293.371 0.037 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001396808627 913962736 /nfs/dbraw/zinc/96/27/36/913962736.db2.gz ZCVBNWIMHVIFOZ-PWSUYJOCSA-N 1 2 289.339 0.171 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001483681875 895843359 /nfs/dbraw/zinc/84/33/59/895843359.db2.gz MGVNSJGDMRRUOA-OLZOCXBDSA-N 1 2 262.353 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001483681875 895843366 /nfs/dbraw/zinc/84/33/66/895843366.db2.gz MGVNSJGDMRRUOA-OLZOCXBDSA-N 1 2 262.353 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CCOC ZINC001483687782 895854967 /nfs/dbraw/zinc/85/49/67/895854967.db2.gz AYOSGVVHLOCKGT-AWEZNQCLSA-N 1 2 296.411 0.889 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CCOC ZINC001483687782 895854973 /nfs/dbraw/zinc/85/49/73/895854973.db2.gz AYOSGVVHLOCKGT-AWEZNQCLSA-N 1 2 296.411 0.889 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001483875341 896099513 /nfs/dbraw/zinc/09/95/13/896099513.db2.gz RIDXXJORHOQVJX-GFCCVEGCSA-N 1 2 270.373 0.349 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CNC(=O)c2ccccn2)C1 ZINC001483893350 896109154 /nfs/dbraw/zinc/10/91/54/896109154.db2.gz QLVSGBQFYQFTCZ-UHFFFAOYSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(F)nc2)C1 ZINC001484265171 896292195 /nfs/dbraw/zinc/29/21/95/896292195.db2.gz VUONMGQVCXYULG-UHFFFAOYSA-N 1 2 277.299 0.021 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001484269702 896309503 /nfs/dbraw/zinc/30/95/03/896309503.db2.gz DRDBLRQTHIGNJK-AAEUAGOBSA-N 1 2 288.363 0.225 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001484298093 896323255 /nfs/dbraw/zinc/32/32/55/896323255.db2.gz VVSLUTNUEOWTDX-GFCCVEGCSA-N 1 2 264.369 0.916 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)CCOC)C1 ZINC001484423614 896389637 /nfs/dbraw/zinc/38/96/37/896389637.db2.gz DQNHVXMWNLCGPR-ZDUSSCGKSA-N 1 2 290.791 0.719 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)CCOC)C1 ZINC001484423614 896389654 /nfs/dbraw/zinc/38/96/54/896389654.db2.gz DQNHVXMWNLCGPR-ZDUSSCGKSA-N 1 2 290.791 0.719 20 30 CCEDLO C[C@@H](F)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631163 914063786 /nfs/dbraw/zinc/06/37/86/914063786.db2.gz ANEGQFHYYIESIU-OCCSQVGLSA-N 1 2 282.359 0.965 20 30 CCEDLO C[C@@H](F)CC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001326631163 914063804 /nfs/dbraw/zinc/06/38/04/914063804.db2.gz ANEGQFHYYIESIU-OCCSQVGLSA-N 1 2 282.359 0.965 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484798421 896611582 /nfs/dbraw/zinc/61/15/82/896611582.db2.gz WYZRFFLLESOYLN-KGLIPLIRSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CC[NH+]1CCC(CO)(NC(=O)C(=O)C(C)(C)C)CC1 ZINC001485015867 896719759 /nfs/dbraw/zinc/71/97/59/896719759.db2.gz SXXBGOQVYXDVDF-UHFFFAOYSA-N 1 2 280.368 0.178 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001485288911 896918384 /nfs/dbraw/zinc/91/83/84/896918384.db2.gz XETJJRHMPYBKHP-QWRGUYRKSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001485288911 896918394 /nfs/dbraw/zinc/91/83/94/896918394.db2.gz XETJJRHMPYBKHP-QWRGUYRKSA-N 1 2 278.360 0.394 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2cncs2)C1 ZINC001485408981 897027209 /nfs/dbraw/zinc/02/72/09/897027209.db2.gz FAPMUSQVYQQRKS-UHFFFAOYSA-N 1 2 293.392 0.262 20 30 CCEDLO CCOCCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C#N)C1 ZINC001485400024 897030548 /nfs/dbraw/zinc/03/05/48/897030548.db2.gz BVZWLPXRDALFHZ-LBPRGKRZSA-N 1 2 283.372 0.126 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001485411151 897030892 /nfs/dbraw/zinc/03/08/92/897030892.db2.gz OGYHGOUJMGBKBK-KGLIPLIRSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](C)C2C[NH+](CC(=O)NCC)C2)C1 ZINC001485524816 897103083 /nfs/dbraw/zinc/10/30/83/897103083.db2.gz WWKNSMAZCZRDQA-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001485522117 897103736 /nfs/dbraw/zinc/10/37/36/897103736.db2.gz HFOXFOOPVLPFPG-IINYFYTJSA-N 1 2 299.802 0.702 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc(C)n2)C1 ZINC001107893629 897453519 /nfs/dbraw/zinc/45/35/19/897453519.db2.gz GMUPLLUWVQCOPV-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc(C)n2)C1 ZINC001107893629 897453525 /nfs/dbraw/zinc/45/35/25/897453525.db2.gz GMUPLLUWVQCOPV-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907450 897487027 /nfs/dbraw/zinc/48/70/27/897487027.db2.gz STRXZOMBMZCAES-CQSZACIVSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)O)C1 ZINC001107907450 897487037 /nfs/dbraw/zinc/48/70/37/897487037.db2.gz STRXZOMBMZCAES-CQSZACIVSA-N 1 2 270.373 0.541 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001032422801 897542785 /nfs/dbraw/zinc/54/27/85/897542785.db2.gz MDUSVYLUIXVXIO-SNPRPXQTSA-N 1 2 286.379 0.746 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001032422801 897542797 /nfs/dbraw/zinc/54/27/97/897542797.db2.gz MDUSVYLUIXVXIO-SNPRPXQTSA-N 1 2 286.379 0.746 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nnnc12 ZINC001032423251 897542818 /nfs/dbraw/zinc/54/28/18/897542818.db2.gz CLQPBLRDSNZNOR-RYUDHWBXSA-N 1 2 296.334 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nnnc12 ZINC001032423251 897542828 /nfs/dbraw/zinc/54/28/28/897542828.db2.gz CLQPBLRDSNZNOR-RYUDHWBXSA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CC2)cnn1C ZINC001032438960 897566264 /nfs/dbraw/zinc/56/62/64/897566264.db2.gz JAGKQVWBNRDYER-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CC2)cnn1C ZINC001032438960 897566278 /nfs/dbraw/zinc/56/62/78/897566278.db2.gz JAGKQVWBNRDYER-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn2c1CCCC2 ZINC001032456505 897593864 /nfs/dbraw/zinc/59/38/64/897593864.db2.gz NEEZGKAIPHCUBL-GJZGRUSLSA-N 1 2 298.390 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn2c1CCCC2 ZINC001032456505 897593879 /nfs/dbraw/zinc/59/38/79/897593879.db2.gz NEEZGKAIPHCUBL-GJZGRUSLSA-N 1 2 298.390 0.680 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107956776 897602229 /nfs/dbraw/zinc/60/22/29/897602229.db2.gz PPTTVXRMLGKKJH-CFVMTHIKSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107956776 897602233 /nfs/dbraw/zinc/60/22/33/897602233.db2.gz PPTTVXRMLGKKJH-CFVMTHIKSA-N 1 2 280.368 0.416 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1CC ZINC001032488353 897644028 /nfs/dbraw/zinc/64/40/28/897644028.db2.gz ZWGBFIRXLAZBOB-KKUMJFAQSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1CC ZINC001032488353 897644033 /nfs/dbraw/zinc/64/40/33/897644033.db2.gz ZWGBFIRXLAZBOB-KKUMJFAQSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(=O)[nH]1 ZINC001032576093 897769595 /nfs/dbraw/zinc/76/95/95/897769595.db2.gz LECFWALZIDLENX-IUCAKERBSA-N 1 2 263.322 0.381 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(=O)[nH]1 ZINC001032576093 897769603 /nfs/dbraw/zinc/76/96/03/897769603.db2.gz LECFWALZIDLENX-IUCAKERBSA-N 1 2 263.322 0.381 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(CC)c1CC ZINC001032624743 897840504 /nfs/dbraw/zinc/84/05/04/897840504.db2.gz UIAWPMUQYQBHHS-RYUDHWBXSA-N 1 2 287.367 0.392 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(CC)c1CC ZINC001032624743 897840510 /nfs/dbraw/zinc/84/05/10/897840510.db2.gz UIAWPMUQYQBHHS-RYUDHWBXSA-N 1 2 287.367 0.392 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(N(C)C)c1 ZINC001032659578 897904611 /nfs/dbraw/zinc/90/46/11/897904611.db2.gz BTGALYGCZUZNKC-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(N(C)C)c1 ZINC001032659578 897904626 /nfs/dbraw/zinc/90/46/26/897904626.db2.gz BTGALYGCZUZNKC-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccn1 ZINC001032722389 897987704 /nfs/dbraw/zinc/98/77/04/897987704.db2.gz VROTUFZVUSLCST-IHRRRGAJSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccn1 ZINC001032722389 897987718 /nfs/dbraw/zinc/98/77/18/897987718.db2.gz VROTUFZVUSLCST-IHRRRGAJSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001077915540 898048468 /nfs/dbraw/zinc/04/84/68/898048468.db2.gz KXBHPZWNZRZTSP-ZIAGYGMSSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001077915540 898048475 /nfs/dbraw/zinc/04/84/75/898048475.db2.gz KXBHPZWNZRZTSP-ZIAGYGMSSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001078001629 898170298 /nfs/dbraw/zinc/17/02/98/898170298.db2.gz DIOCXOYHVQSVIT-JHJVBQTASA-N 1 2 292.404 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001078001629 898170307 /nfs/dbraw/zinc/17/03/07/898170307.db2.gz DIOCXOYHVQSVIT-JHJVBQTASA-N 1 2 292.404 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001078212864 898295063 /nfs/dbraw/zinc/29/50/63/898295063.db2.gz RZNXFZCGVAILMP-HZPDHXFCSA-N 1 2 284.359 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001078212864 898295079 /nfs/dbraw/zinc/29/50/79/898295079.db2.gz RZNXFZCGVAILMP-HZPDHXFCSA-N 1 2 284.359 0.972 20 30 CCEDLO C[C@H](CC(=O)N(C)C[C@H](C)NCC#N)n1cc[nH+]c1 ZINC001485929112 898520148 /nfs/dbraw/zinc/52/01/48/898520148.db2.gz QNGLVYKLVGDSIO-NWDGAFQWSA-N 1 2 263.345 0.794 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486036903 898622774 /nfs/dbraw/zinc/62/27/74/898622774.db2.gz AZTRDTXILHWELR-GFCCVEGCSA-N 1 2 281.356 0.844 20 30 CCEDLO CC#CC[N@H+]1CC=C(CNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001486508697 898915955 /nfs/dbraw/zinc/91/59/55/898915955.db2.gz FFQAYZZVVRGEGT-LBPRGKRZSA-N 1 2 298.408 0.191 20 30 CCEDLO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001486508697 898915969 /nfs/dbraw/zinc/91/59/69/898915969.db2.gz FFQAYZZVVRGEGT-LBPRGKRZSA-N 1 2 298.408 0.191 20 30 CCEDLO C=CCCC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001494355355 899081945 /nfs/dbraw/zinc/08/19/45/899081945.db2.gz MWLDRBFIVWEEED-ZDUSSCGKSA-N 1 2 278.356 0.011 20 30 CCEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001191872558 900022212 /nfs/dbraw/zinc/02/22/12/900022212.db2.gz JWXSSGXQENEBNV-GGZOMVNGSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001191872558 900022223 /nfs/dbraw/zinc/02/22/23/900022223.db2.gz JWXSSGXQENEBNV-GGZOMVNGSA-N 1 2 292.339 0.112 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001494876478 900088313 /nfs/dbraw/zinc/08/83/13/900088313.db2.gz POGURKDFDIGGEF-NEPJUHHUSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001494876478 900088320 /nfs/dbraw/zinc/08/83/20/900088320.db2.gz POGURKDFDIGGEF-NEPJUHHUSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001488637838 900327079 /nfs/dbraw/zinc/32/70/79/900327079.db2.gz JKPFPALXMIDXAI-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001488637838 900327092 /nfs/dbraw/zinc/32/70/92/900327092.db2.gz JKPFPALXMIDXAI-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001488676049 900341595 /nfs/dbraw/zinc/34/15/95/900341595.db2.gz ZKKFVSSTNUBUCS-KGLIPLIRSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001488676049 900341604 /nfs/dbraw/zinc/34/16/04/900341604.db2.gz ZKKFVSSTNUBUCS-KGLIPLIRSA-N 1 2 299.390 0.960 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001490193047 900564029 /nfs/dbraw/zinc/56/40/29/900564029.db2.gz KPCVJIPQQMWRFU-GFCCVEGCSA-N 1 2 279.340 0.651 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001490193047 900564038 /nfs/dbraw/zinc/56/40/38/900564038.db2.gz KPCVJIPQQMWRFU-GFCCVEGCSA-N 1 2 279.340 0.651 20 30 CCEDLO COCC1(CC(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001490492802 900641147 /nfs/dbraw/zinc/64/11/47/900641147.db2.gz RGPXQYJRDRAOMW-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001327301335 914471362 /nfs/dbraw/zinc/47/13/62/914471362.db2.gz UBRAKKAGRJYCKB-VXGBXAGGSA-N 1 2 290.367 0.785 20 30 CCEDLO CCO[C@H](CC)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323191310 901033115 /nfs/dbraw/zinc/03/31/15/901033115.db2.gz HQQBSOUOYRPLMU-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO CCO[C@H](CC)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323191310 901033125 /nfs/dbraw/zinc/03/31/25/901033125.db2.gz HQQBSOUOYRPLMU-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)C(=O)OC ZINC001462332251 903097976 /nfs/dbraw/zinc/09/79/76/903097976.db2.gz IFSXEPHNLHFTJW-ZYHUDNBSSA-N 1 2 287.381 0.354 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001280898384 904168129 /nfs/dbraw/zinc/16/81/29/904168129.db2.gz FGGWYAYRIBIKSX-CYBMUJFWSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001316611441 904296912 /nfs/dbraw/zinc/29/69/12/904296912.db2.gz RNCWPOOAGYAFAD-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001316611441 904296925 /nfs/dbraw/zinc/29/69/25/904296925.db2.gz RNCWPOOAGYAFAD-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001316611442 904297710 /nfs/dbraw/zinc/29/77/10/904297710.db2.gz RNCWPOOAGYAFAD-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001316611442 904297720 /nfs/dbraw/zinc/29/77/20/904297720.db2.gz RNCWPOOAGYAFAD-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001281967510 904378416 /nfs/dbraw/zinc/37/84/16/904378416.db2.gz HPRQWQIJQMKMOJ-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001281967510 904378430 /nfs/dbraw/zinc/37/84/30/904378430.db2.gz HPRQWQIJQMKMOJ-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO CC[C@H](C[NH+]1CC(CCO)(NC(=O)C#CC2CC2)C1)OC ZINC001282511020 904499345 /nfs/dbraw/zinc/49/93/45/904499345.db2.gz KXEPDBWKJLSRFI-CQSZACIVSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001282524006 904501823 /nfs/dbraw/zinc/50/18/23/904501823.db2.gz UIOWEBMZCWABRO-STQMWFEESA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001282524001 904502484 /nfs/dbraw/zinc/50/24/84/904502484.db2.gz UIOWEBMZCWABRO-CHWSQXEVSA-N 1 2 282.384 0.541 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001377382671 904819534 /nfs/dbraw/zinc/81/95/34/904819534.db2.gz LDQKGEHTUCPXMX-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001377382671 904819553 /nfs/dbraw/zinc/81/95/53/904819553.db2.gz LDQKGEHTUCPXMX-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001284272972 905230681 /nfs/dbraw/zinc/23/06/81/905230681.db2.gz KKEKBASDTXJCGO-LBPRGKRZSA-N 1 2 276.340 0.163 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001378091740 905415567 /nfs/dbraw/zinc/41/55/67/905415567.db2.gz ZETUPVLETFYLFY-NSHDSACASA-N 1 2 297.790 0.691 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001378091740 905415575 /nfs/dbraw/zinc/41/55/75/905415575.db2.gz ZETUPVLETFYLFY-NSHDSACASA-N 1 2 297.790 0.691 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C#CC(C)(C)C ZINC001285641433 905704666 /nfs/dbraw/zinc/70/46/66/905704666.db2.gz ORZBBPHOVGTISJ-LLVKDONJSA-N 1 2 290.367 0.623 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001379377656 906199586 /nfs/dbraw/zinc/19/95/86/906199586.db2.gz ZNQDOOCFSWRMEL-ONGXEEELSA-N 1 2 292.339 0.278 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001293399730 906470526 /nfs/dbraw/zinc/47/05/26/906470526.db2.gz CQNHWGPSWZOVIX-JTQLQIEISA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001293399730 906470538 /nfs/dbraw/zinc/47/05/38/906470538.db2.gz CQNHWGPSWZOVIX-JTQLQIEISA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001294202436 906564631 /nfs/dbraw/zinc/56/46/31/906564631.db2.gz CYCBECLWRPXBDC-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001295437631 906731567 /nfs/dbraw/zinc/73/15/67/906731567.db2.gz SOMACCOYWVDPEI-GFCCVEGCSA-N 1 2 292.383 0.940 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001295672506 906785904 /nfs/dbraw/zinc/78/59/04/906785904.db2.gz BMQVSIMAYUVUIE-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001297156464 907034905 /nfs/dbraw/zinc/03/49/05/907034905.db2.gz WNOQMMQWUQALKX-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO Cc1nc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)co1 ZINC001382449297 907743169 /nfs/dbraw/zinc/74/31/69/907743169.db2.gz GXVPAOWOOWLUCH-GXFFZTMASA-N 1 2 294.355 0.394 20 30 CCEDLO Cc1nc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)co1 ZINC001382449297 907743179 /nfs/dbraw/zinc/74/31/79/907743179.db2.gz GXVPAOWOOWLUCH-GXFFZTMASA-N 1 2 294.355 0.394 20 30 CCEDLO Cc1nc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)co1 ZINC001382449300 907744390 /nfs/dbraw/zinc/74/43/90/907744390.db2.gz GXVPAOWOOWLUCH-ZWNOBZJWSA-N 1 2 294.355 0.394 20 30 CCEDLO Cc1nc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)co1 ZINC001382449300 907744398 /nfs/dbraw/zinc/74/43/98/907744398.db2.gz GXVPAOWOOWLUCH-ZWNOBZJWSA-N 1 2 294.355 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001492243919 907794042 /nfs/dbraw/zinc/79/40/42/907794042.db2.gz ZKHDFTPONZRQRT-UHFFFAOYSA-N 1 2 257.725 0.229 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001492243919 907794056 /nfs/dbraw/zinc/79/40/56/907794056.db2.gz ZKHDFTPONZRQRT-UHFFFAOYSA-N 1 2 257.725 0.229 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001417196576 921353384 /nfs/dbraw/zinc/35/33/84/921353384.db2.gz JLOPWALSCLSRKT-NSHDSACASA-N 1 2 289.339 0.198 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1conc1CC ZINC001492249104 907800866 /nfs/dbraw/zinc/80/08/66/907800866.db2.gz ATYPSWNOROPZLI-GFCCVEGCSA-N 1 2 293.367 0.823 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1conc1CC ZINC001492249104 907800879 /nfs/dbraw/zinc/80/08/79/907800879.db2.gz ATYPSWNOROPZLI-GFCCVEGCSA-N 1 2 293.367 0.823 20 30 CCEDLO CCC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001492261595 907814720 /nfs/dbraw/zinc/81/47/20/907814720.db2.gz GRSZFUCGKGPUPN-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO CCC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001492261595 907814733 /nfs/dbraw/zinc/81/47/33/907814733.db2.gz GRSZFUCGKGPUPN-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C)C1 ZINC001338058088 921355790 /nfs/dbraw/zinc/35/57/90/921355790.db2.gz AQCKWFKIPIGYFG-GFCCVEGCSA-N 1 2 284.367 0.989 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001492350452 907867992 /nfs/dbraw/zinc/86/79/92/907867992.db2.gz JJGFGVPALNIIAV-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001492350452 907868005 /nfs/dbraw/zinc/86/80/05/907868005.db2.gz JJGFGVPALNIIAV-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](COCC)C(=O)OC ZINC001307592950 908323489 /nfs/dbraw/zinc/32/34/89/908323489.db2.gz RWQJUTZVTCOAIC-NEPJUHHUSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](COCC)C(=O)OC ZINC001307592950 908323504 /nfs/dbraw/zinc/32/35/04/908323504.db2.gz RWQJUTZVTCOAIC-NEPJUHHUSA-N 1 2 259.346 0.823 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001386025565 908577620 /nfs/dbraw/zinc/57/76/20/908577620.db2.gz ASNKRBSCNMKSDV-IEBDPFPHSA-N 1 2 289.339 0.184 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001386418867 908727232 /nfs/dbraw/zinc/72/72/32/908727232.db2.gz QQKGKSHXCIBDNC-DTWKUNHWSA-N 1 2 277.328 0.041 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H]1C ZINC001316799855 908774596 /nfs/dbraw/zinc/77/45/96/908774596.db2.gz KZEJYHSOISLABB-UTUOFQBUSA-N 1 2 288.413 0.432 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H]1C ZINC001316799855 908774609 /nfs/dbraw/zinc/77/46/09/908774609.db2.gz KZEJYHSOISLABB-UTUOFQBUSA-N 1 2 288.413 0.432 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001316938715 908861491 /nfs/dbraw/zinc/86/14/91/908861491.db2.gz UWMWUNNSBKRZTR-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001316938715 908861509 /nfs/dbraw/zinc/86/15/09/908861509.db2.gz UWMWUNNSBKRZTR-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001386894126 908959435 /nfs/dbraw/zinc/95/94/35/908959435.db2.gz GYBPJPSVGUXRKR-NEPJUHHUSA-N 1 2 291.355 0.568 20 30 CCEDLO C[C@H](CC(=O)NCCN(C)C(=O)[C@@H](C)C#N)n1cc[nH+]c1 ZINC001386894138 908962385 /nfs/dbraw/zinc/96/23/85/908962385.db2.gz GYBPJPSVGUXRKR-NWDGAFQWSA-N 1 2 291.355 0.568 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001317172286 909028943 /nfs/dbraw/zinc/02/89/43/909028943.db2.gz BGKNBGCRAUBOHW-NSHDSACASA-N 1 2 267.373 0.655 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001317172286 909028961 /nfs/dbraw/zinc/02/89/61/909028961.db2.gz BGKNBGCRAUBOHW-NSHDSACASA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001317444054 909210629 /nfs/dbraw/zinc/21/06/29/909210629.db2.gz WFTRAOAPQMUQGR-UHFFFAOYSA-N 1 2 256.737 0.834 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001317444054 909210642 /nfs/dbraw/zinc/21/06/42/909210642.db2.gz WFTRAOAPQMUQGR-UHFFFAOYSA-N 1 2 256.737 0.834 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001317456237 909229223 /nfs/dbraw/zinc/22/92/23/909229223.db2.gz GOBCOCUPZMAOPB-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001317456237 909229230 /nfs/dbraw/zinc/22/92/30/909229230.db2.gz GOBCOCUPZMAOPB-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001317462673 909243438 /nfs/dbraw/zinc/24/34/38/909243438.db2.gz XJUKPSQIYDTLKJ-UHFFFAOYSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1 ZINC001317462673 909243452 /nfs/dbraw/zinc/24/34/52/909243452.db2.gz XJUKPSQIYDTLKJ-UHFFFAOYSA-N 1 2 279.384 0.669 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001338490153 921483439 /nfs/dbraw/zinc/48/34/39/921483439.db2.gz OWYGPABDCCKOMS-LBPRGKRZSA-N 1 2 277.372 0.666 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001338490153 921483447 /nfs/dbraw/zinc/48/34/47/921483447.db2.gz OWYGPABDCCKOMS-LBPRGKRZSA-N 1 2 277.372 0.666 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001317759767 909483683 /nfs/dbraw/zinc/48/36/83/909483683.db2.gz SVPOFGVMAUNCBA-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001317759767 909483694 /nfs/dbraw/zinc/48/36/94/909483694.db2.gz SVPOFGVMAUNCBA-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317817096 909510734 /nfs/dbraw/zinc/51/07/34/909510734.db2.gz VUESTQLPSAVRKD-UHFFFAOYSA-N 1 2 264.373 0.552 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001317918352 909540951 /nfs/dbraw/zinc/54/09/51/909540951.db2.gz FPUAMCXCYMSCAI-CHWSQXEVSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001317918352 909540961 /nfs/dbraw/zinc/54/09/61/909540961.db2.gz FPUAMCXCYMSCAI-CHWSQXEVSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001318329222 909708941 /nfs/dbraw/zinc/70/89/41/909708941.db2.gz HOONNJWHMAQVIX-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001318329222 909708945 /nfs/dbraw/zinc/70/89/45/909708945.db2.gz HOONNJWHMAQVIX-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO CC1CC(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001318396517 909740014 /nfs/dbraw/zinc/74/00/14/909740014.db2.gz XWYVFDLIFMPERU-WXRRBKDZSA-N 1 2 292.383 0.205 20 30 CCEDLO CC1CC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001318396517 909740029 /nfs/dbraw/zinc/74/00/29/909740029.db2.gz XWYVFDLIFMPERU-WXRRBKDZSA-N 1 2 292.383 0.205 20 30 CCEDLO CCN(C(=O)C=C(C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318458557 909767038 /nfs/dbraw/zinc/76/70/38/909767038.db2.gz MLEDMJKZBQSAEP-ZDUSSCGKSA-N 1 2 292.383 0.515 20 30 CCEDLO CCN(C(=O)C=C(C)C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318458557 909767052 /nfs/dbraw/zinc/76/70/52/909767052.db2.gz MLEDMJKZBQSAEP-ZDUSSCGKSA-N 1 2 292.383 0.515 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318557390 909815494 /nfs/dbraw/zinc/81/54/94/909815494.db2.gz VWJQKVFCWKLTME-LLVKDONJSA-N 1 2 294.403 0.797 20 30 CCEDLO N#CCNC1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001319369780 910119354 /nfs/dbraw/zinc/11/93/54/910119354.db2.gz SEZHHZVELBQXAF-UHFFFAOYSA-N 1 2 275.356 0.815 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001319922263 910354443 /nfs/dbraw/zinc/35/44/43/910354443.db2.gz MAMQHAGFHBHWQH-OCCSQVGLSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1C=CCC1 ZINC001319976755 910382555 /nfs/dbraw/zinc/38/25/55/910382555.db2.gz LLPSAYZTHILTHG-CQSZACIVSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1C=CCC1 ZINC001319976755 910382566 /nfs/dbraw/zinc/38/25/66/910382566.db2.gz LLPSAYZTHILTHG-CQSZACIVSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001320054758 910438245 /nfs/dbraw/zinc/43/82/45/910438245.db2.gz VEIRDJMFIDHCAH-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001391081308 910858315 /nfs/dbraw/zinc/85/83/15/910858315.db2.gz AXKDWAWYLQLHOZ-KOLCDFICSA-N 1 2 293.396 0.944 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001391081308 910858321 /nfs/dbraw/zinc/85/83/21/910858321.db2.gz AXKDWAWYLQLHOZ-KOLCDFICSA-N 1 2 293.396 0.944 20 30 CCEDLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC001321164814 911131156 /nfs/dbraw/zinc/13/11/56/911131156.db2.gz MRDPWSDCVZPTDX-LLVKDONJSA-N 1 2 287.327 0.504 20 30 CCEDLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001391478751 911167690 /nfs/dbraw/zinc/16/76/90/911167690.db2.gz ULVFHQBENRXWTP-SNVBAGLBSA-N 1 2 290.371 0.314 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392263875 911680507 /nfs/dbraw/zinc/68/05/07/911680507.db2.gz MWNOHODFEVAKBK-LLVKDONJSA-N 1 2 276.764 0.545 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392263875 911680521 /nfs/dbraw/zinc/68/05/21/911680521.db2.gz MWNOHODFEVAKBK-LLVKDONJSA-N 1 2 276.764 0.545 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CNC(=O)CC ZINC001392266450 911681496 /nfs/dbraw/zinc/68/14/96/911681496.db2.gz SRASXECPKVZKRZ-UHFFFAOYSA-N 1 2 275.780 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CNC(=O)CC ZINC001392266450 911681499 /nfs/dbraw/zinc/68/14/99/911681499.db2.gz SRASXECPKVZKRZ-UHFFFAOYSA-N 1 2 275.780 0.655 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001328766935 915420682 /nfs/dbraw/zinc/42/06/82/915420682.db2.gz XBFIVQRJKMHQGC-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001400005985 915499701 /nfs/dbraw/zinc/49/97/01/915499701.db2.gz BBRUSLMDVWRQPR-VIFPVBQESA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001400005985 915499702 /nfs/dbraw/zinc/49/97/02/915499702.db2.gz BBRUSLMDVWRQPR-VIFPVBQESA-N 1 2 288.779 0.376 20 30 CCEDLO COc1cncc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001400481231 915766977 /nfs/dbraw/zinc/76/69/77/915766977.db2.gz WZKVLQQNGIDWRY-JTQLQIEISA-N 1 2 289.339 0.193 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001400479747 915769364 /nfs/dbraw/zinc/76/93/64/915769364.db2.gz ITIRNIRVDWHJKP-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001329287463 915793365 /nfs/dbraw/zinc/79/33/65/915793365.db2.gz LNNFTTNAUKIBAK-UWVGGRQHSA-N 1 2 292.343 0.237 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001400603896 915822177 /nfs/dbraw/zinc/82/21/77/915822177.db2.gz OEWSEODSZIGTNW-JTQLQIEISA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001400603896 915822191 /nfs/dbraw/zinc/82/21/91/915822191.db2.gz OEWSEODSZIGTNW-JTQLQIEISA-N 1 2 288.779 0.249 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001400604711 915831721 /nfs/dbraw/zinc/83/17/21/915831721.db2.gz ILCRSVWEVXWUNL-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001400604711 915831738 /nfs/dbraw/zinc/83/17/38/915831738.db2.gz ILCRSVWEVXWUNL-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001329704762 916139480 /nfs/dbraw/zinc/13/94/80/916139480.db2.gz ICDOPCKHNZNXMJ-KBPBESRZSA-N 1 2 278.396 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001401375833 916223133 /nfs/dbraw/zinc/22/31/33/916223133.db2.gz NYLPZCCTKVFKLG-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001401375833 916223152 /nfs/dbraw/zinc/22/31/52/916223152.db2.gz NYLPZCCTKVFKLG-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2CC2)C1 ZINC001329954737 916310877 /nfs/dbraw/zinc/31/08/77/916310877.db2.gz VFGDOLSEEMJLQL-JTQLQIEISA-N 1 2 265.357 0.135 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)OCC ZINC001330001609 916349823 /nfs/dbraw/zinc/34/98/23/916349823.db2.gz XRKAXKFAGNLRET-WCQYABFASA-N 1 2 297.399 0.280 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001402080004 916798826 /nfs/dbraw/zinc/79/88/26/916798826.db2.gz NVWWOWULBLTKIT-VXGBXAGGSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001402080004 916798844 /nfs/dbraw/zinc/79/88/44/916798844.db2.gz NVWWOWULBLTKIT-VXGBXAGGSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111344 917492493 /nfs/dbraw/zinc/49/24/93/917492493.db2.gz UIDWEYLJLKBRAE-VXGBXAGGSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111344 917492514 /nfs/dbraw/zinc/49/25/14/917492514.db2.gz UIDWEYLJLKBRAE-VXGBXAGGSA-N 1 2 289.383 0.925 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001332582863 918289569 /nfs/dbraw/zinc/28/95/69/918289569.db2.gz VWTLTZTUGRINBD-LBPRGKRZSA-N 1 2 274.324 0.014 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001404425073 918340422 /nfs/dbraw/zinc/34/04/22/918340422.db2.gz DZHIAPIQIUWFEJ-MNOVXSKESA-N 1 2 291.355 0.085 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001405098779 918600524 /nfs/dbraw/zinc/60/05/24/918600524.db2.gz KNBWMVSZGQVLFY-RYUDHWBXSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001405098779 918600537 /nfs/dbraw/zinc/60/05/37/918600537.db2.gz KNBWMVSZGQVLFY-RYUDHWBXSA-N 1 2 290.371 0.490 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001406594604 919379526 /nfs/dbraw/zinc/37/95/26/919379526.db2.gz AOUDUKOBRXCMJG-JTQLQIEISA-N 1 2 290.795 0.495 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001406594604 919379541 /nfs/dbraw/zinc/37/95/41/919379541.db2.gz AOUDUKOBRXCMJG-JTQLQIEISA-N 1 2 290.795 0.495 20 30 CCEDLO C#CCN(CC)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001334474040 919611226 /nfs/dbraw/zinc/61/12/26/919611226.db2.gz RRXJLWBSNDNOIJ-UHFFFAOYSA-N 1 2 292.387 0.243 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCn1cc[nH+]c1 ZINC001408498180 920206168 /nfs/dbraw/zinc/20/61/68/920206168.db2.gz PMAOFTZGBMLIMI-NWDGAFQWSA-N 1 2 291.355 0.444 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)C(F)(F)F ZINC001335986432 920544595 /nfs/dbraw/zinc/54/45/95/920544595.db2.gz KUOSARNNMALZST-IUCAKERBSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)C(F)(F)F ZINC001335986432 920544608 /nfs/dbraw/zinc/54/46/08/920544608.db2.gz KUOSARNNMALZST-IUCAKERBSA-N 1 2 253.268 0.733 20 30 CCEDLO C#CCNC(=O)CC[NH2+]Cc1nc(C(F)(F)F)no1 ZINC001336811577 921030260 /nfs/dbraw/zinc/03/02/60/921030260.db2.gz RQTYHQDQAGBKLU-UHFFFAOYSA-N 1 2 276.218 0.318 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C3CC3)C2=O)nn1 ZINC001336894769 921089168 /nfs/dbraw/zinc/08/91/68/921089168.db2.gz CJNFKXGIPKEJGK-ZDUSSCGKSA-N 1 2 273.340 0.327 20 30 CCEDLO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1csnn1 ZINC001418209349 921918421 /nfs/dbraw/zinc/91/84/21/921918421.db2.gz NQXPVAFPOSHUKF-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CCn1cc(CNC(=O)C[C@H]([NH3+])C(F)F)nn1 ZINC001340516145 922107385 /nfs/dbraw/zinc/10/73/85/922107385.db2.gz YPRRLILHRDAAPY-QMMMGPOBSA-N 1 2 259.260 0.063 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC=C)n2CC)CC1 ZINC001340989102 922307687 /nfs/dbraw/zinc/30/76/87/922307687.db2.gz LFWNWLDPJWDQKQ-UHFFFAOYSA-N 1 2 289.383 0.756 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001418656514 922337634 /nfs/dbraw/zinc/33/76/34/922337634.db2.gz MOSSUJKILRAQAD-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001418656514 922337649 /nfs/dbraw/zinc/33/76/49/922337649.db2.gz MOSSUJKILRAQAD-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001418656514 922337668 /nfs/dbraw/zinc/33/76/68/922337668.db2.gz MOSSUJKILRAQAD-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001418656514 922337685 /nfs/dbraw/zinc/33/76/85/922337685.db2.gz MOSSUJKILRAQAD-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419128858 922651064 /nfs/dbraw/zinc/65/10/64/922651064.db2.gz BMIUYEZUIXCAFY-NEPJUHHUSA-N 1 2 290.371 0.398 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419128858 922651075 /nfs/dbraw/zinc/65/10/75/922651075.db2.gz BMIUYEZUIXCAFY-NEPJUHHUSA-N 1 2 290.371 0.398 20 30 CCEDLO COc1nccc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001419952533 923182400 /nfs/dbraw/zinc/18/24/00/923182400.db2.gz HXNWIYHOTUDQSV-NSHDSACASA-N 1 2 291.355 0.535 20 30 CCEDLO COc1nccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001419952533 923182415 /nfs/dbraw/zinc/18/24/15/923182415.db2.gz HXNWIYHOTUDQSV-NSHDSACASA-N 1 2 291.355 0.535 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CC(N)=O ZINC001420472724 923695212 /nfs/dbraw/zinc/69/52/12/923695212.db2.gz VSVXXTCAPYUCPB-MWLCHTKSSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CC(N)=O ZINC001420472724 923695222 /nfs/dbraw/zinc/69/52/22/923695222.db2.gz VSVXXTCAPYUCPB-MWLCHTKSSA-N 1 2 287.791 0.831 20 30 CCEDLO C#CC1(O)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001345478567 923902795 /nfs/dbraw/zinc/90/27/95/923902795.db2.gz JANQWBZRHJKPLM-UHFFFAOYSA-N 1 2 276.340 0.443 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001479910959 924713704 /nfs/dbraw/zinc/71/37/04/924713704.db2.gz ABDMIJSMVCKDJA-LLVKDONJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001479910959 924713711 /nfs/dbraw/zinc/71/37/11/924713711.db2.gz ABDMIJSMVCKDJA-LLVKDONJSA-N 1 2 299.802 0.846 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001348793796 924804998 /nfs/dbraw/zinc/80/49/98/924804998.db2.gz OCZNWAAJGOLUOW-STQMWFEESA-N 1 2 266.389 0.333 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CC1(C)C ZINC001349854440 925079043 /nfs/dbraw/zinc/07/90/43/925079043.db2.gz SBMNVFAIWYTIJO-HZMBPMFUSA-N 1 2 268.357 0.985 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC=C)n2C)CC1 ZINC001355557250 926281854 /nfs/dbraw/zinc/28/18/54/926281854.db2.gz BQPFGYUCQDJLRU-UHFFFAOYSA-N 1 2 275.356 0.273 20 30 CCEDLO C=C(C)CCC(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001358734441 926809745 /nfs/dbraw/zinc/80/97/45/926809745.db2.gz KBMIVSGLKXJOJO-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001414040970 926893673 /nfs/dbraw/zinc/89/36/73/926893673.db2.gz YFJXQCHUPDTIQC-RYUDHWBXSA-N 1 2 286.335 0.199 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001363193886 928964055 /nfs/dbraw/zinc/96/40/55/928964055.db2.gz FWILUXZDVSNIPI-LBPRGKRZSA-N 1 2 276.340 0.903 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001363193886 928964065 /nfs/dbraw/zinc/96/40/65/928964065.db2.gz FWILUXZDVSNIPI-LBPRGKRZSA-N 1 2 276.340 0.903 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001363812870 929601442 /nfs/dbraw/zinc/60/14/42/929601442.db2.gz CITICXUCIHXTIR-NWDGAFQWSA-N 1 2 297.322 0.087 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001363812870 929601446 /nfs/dbraw/zinc/60/14/46/929601446.db2.gz CITICXUCIHXTIR-NWDGAFQWSA-N 1 2 297.322 0.087 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001443613513 929662422 /nfs/dbraw/zinc/66/24/22/929662422.db2.gz KCRRZZMWHOWDEU-LBPRGKRZSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001372572456 929885126 /nfs/dbraw/zinc/88/51/26/929885126.db2.gz TYTNEXIZNIRNDR-JTQLQIEISA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001372572456 929885140 /nfs/dbraw/zinc/88/51/40/929885140.db2.gz TYTNEXIZNIRNDR-JTQLQIEISA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001373362338 930152734 /nfs/dbraw/zinc/15/27/34/930152734.db2.gz RPKMBLOIFICYPE-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001373362338 930152742 /nfs/dbraw/zinc/15/27/42/930152742.db2.gz RPKMBLOIFICYPE-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001373512252 930229230 /nfs/dbraw/zinc/22/92/30/930229230.db2.gz IYDQVSLWXFLHEH-NSHDSACASA-N 1 2 299.802 0.703 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nc[nH]n2)C1 ZINC001446544242 930432531 /nfs/dbraw/zinc/43/25/31/930432531.db2.gz AWPFRFGJPSBADA-GFCCVEGCSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nc[nH]n2)C1 ZINC001446544242 930432538 /nfs/dbraw/zinc/43/25/38/930432538.db2.gz AWPFRFGJPSBADA-GFCCVEGCSA-N 1 2 283.763 0.680 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC001447307598 930605455 /nfs/dbraw/zinc/60/54/55/930605455.db2.gz SFLBWQOSCRZFNF-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC001447307598 930605458 /nfs/dbraw/zinc/60/54/58/930605458.db2.gz SFLBWQOSCRZFNF-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001375101828 930793519 /nfs/dbraw/zinc/79/35/19/930793519.db2.gz KKHDXGACTBCAJK-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001375101828 930793528 /nfs/dbraw/zinc/79/35/28/930793528.db2.gz KKHDXGACTBCAJK-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375220654 930823203 /nfs/dbraw/zinc/82/32/03/930823203.db2.gz PTKOADMJKIVXSC-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001451473420 931440702 /nfs/dbraw/zinc/44/07/02/931440702.db2.gz ZNQPEOMYYWTDGC-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599584048 361752854 /nfs/dbraw/zinc/75/28/54/361752854.db2.gz YSKRSHKUTCWURN-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599584048 361752859 /nfs/dbraw/zinc/75/28/59/361752859.db2.gz YSKRSHKUTCWURN-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000599664474 361778190 /nfs/dbraw/zinc/77/81/90/361778190.db2.gz OFHUCWORXTZLGL-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000599664474 361778192 /nfs/dbraw/zinc/77/81/92/361778192.db2.gz OFHUCWORXTZLGL-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)s1 ZINC000599666536 361779670 /nfs/dbraw/zinc/77/96/70/361779670.db2.gz YBWZIDUVUHFQBG-SECBINFHSA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)s1 ZINC000599666536 361779672 /nfs/dbraw/zinc/77/96/72/361779672.db2.gz YBWZIDUVUHFQBG-SECBINFHSA-N 1 2 265.338 0.696 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNc1ccc(C#N)cc1 ZINC000600420176 361955446 /nfs/dbraw/zinc/95/54/46/361955446.db2.gz JUEZDAWHIDSOBD-CQSZACIVSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CNc1ccc(C#N)cc1 ZINC000600420176 361955451 /nfs/dbraw/zinc/95/54/51/361955451.db2.gz JUEZDAWHIDSOBD-CQSZACIVSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C#N)CCOCC1 ZINC000600420235 361956683 /nfs/dbraw/zinc/95/66/83/361956683.db2.gz ONLULMYXRMUCGC-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C#N)CCOCC1 ZINC000600420235 361956684 /nfs/dbraw/zinc/95/66/84/361956684.db2.gz ONLULMYXRMUCGC-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600422119 361956780 /nfs/dbraw/zinc/95/67/80/361956780.db2.gz RGHFGSPSTMTKIN-WFASDCNBSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600422119 361956782 /nfs/dbraw/zinc/95/67/82/361956782.db2.gz RGHFGSPSTMTKIN-WFASDCNBSA-N 1 2 277.368 0.907 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC(C)(C)C#N)C1 ZINC000353091431 290035677 /nfs/dbraw/zinc/03/56/77/290035677.db2.gz WMSULWJJVMXZJX-LLVKDONJSA-N 1 2 267.377 0.081 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC(C)(C)C#N)C1 ZINC000353091431 290035678 /nfs/dbraw/zinc/03/56/78/290035678.db2.gz WMSULWJJVMXZJX-LLVKDONJSA-N 1 2 267.377 0.081 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734331 365745936 /nfs/dbraw/zinc/74/59/36/365745936.db2.gz AYVDNDCNKXMUIE-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734331 365745939 /nfs/dbraw/zinc/74/59/39/365745939.db2.gz AYVDNDCNKXMUIE-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000113552338 349815713 /nfs/dbraw/zinc/81/57/13/349815713.db2.gz QAHYISNLJLHJLJ-LLVKDONJSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000113552338 349815716 /nfs/dbraw/zinc/81/57/16/349815716.db2.gz QAHYISNLJLHJLJ-LLVKDONJSA-N 1 2 277.284 0.604 20 30 CCEDLO N#CC1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000601378209 362249935 /nfs/dbraw/zinc/24/99/35/362249935.db2.gz QCJUVMFQODDLBC-UHFFFAOYSA-N 1 2 268.342 0.913 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1ncc(C#N)cc1F ZINC000413109079 529911625 /nfs/dbraw/zinc/91/16/25/529911625.db2.gz FLCNZKMKGOEGSF-UHFFFAOYSA-N 1 2 264.304 0.861 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1(C#N)CCC1 ZINC000601532189 362302540 /nfs/dbraw/zinc/30/25/40/362302540.db2.gz SZJHIPRHNZHBKY-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000331541357 530019375 /nfs/dbraw/zinc/01/93/75/530019375.db2.gz OJCZBNQOWPATNE-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000331541357 530019377 /nfs/dbraw/zinc/01/93/77/530019377.db2.gz OJCZBNQOWPATNE-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000358420748 232100629 /nfs/dbraw/zinc/10/06/29/232100629.db2.gz YIIHTCCKHDQNME-ZDUSSCGKSA-N 1 2 286.335 0.124 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000358420748 232100633 /nfs/dbraw/zinc/10/06/33/232100633.db2.gz YIIHTCCKHDQNME-ZDUSSCGKSA-N 1 2 286.335 0.124 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000602327086 362586028 /nfs/dbraw/zinc/58/60/28/362586028.db2.gz PVCMDJMNPMMXKV-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000602327086 362586035 /nfs/dbraw/zinc/58/60/35/362586035.db2.gz PVCMDJMNPMMXKV-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO CCO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000602331474 362588967 /nfs/dbraw/zinc/58/89/67/362588967.db2.gz DIYOIOUZVNQGDU-YPMHNXCESA-N 1 2 253.346 0.762 20 30 CCEDLO COCC[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602465590 362631347 /nfs/dbraw/zinc/63/13/47/362631347.db2.gz PTSIABMFLFQIBG-UHFFFAOYSA-N 1 2 297.380 0.696 20 30 CCEDLO COCC[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602465590 362631352 /nfs/dbraw/zinc/63/13/52/362631352.db2.gz PTSIABMFLFQIBG-UHFFFAOYSA-N 1 2 297.380 0.696 20 30 CCEDLO Cc1[nH+]c2cc(NC(=O)Cn3cnc(C#N)n3)ccc2n1C ZINC000533186556 290786575 /nfs/dbraw/zinc/78/65/75/290786575.db2.gz BKPPOUPXZCJXMH-UHFFFAOYSA-N 1 2 295.306 0.984 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H](C)N1CC#N ZINC000602858255 362843663 /nfs/dbraw/zinc/84/36/63/362843663.db2.gz QOOSWDCLUKIHFC-STQMWFEESA-N 1 2 278.400 0.821 20 30 CCEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602862238 362847735 /nfs/dbraw/zinc/84/77/35/362847735.db2.gz JITLEPROZVEXPW-NEPJUHHUSA-N 1 2 281.356 0.680 20 30 CCEDLO CC(C)CNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602864028 362849577 /nfs/dbraw/zinc/84/95/77/362849577.db2.gz PKLYMJLSQUEXQY-CHWSQXEVSA-N 1 2 266.389 0.677 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000602871682 362852466 /nfs/dbraw/zinc/85/24/66/362852466.db2.gz UIKXXMPNBXGVHR-GHMZBOCLSA-N 1 2 281.356 0.821 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000042540439 348284579 /nfs/dbraw/zinc/28/45/79/348284579.db2.gz FLDFMBTWUVBYSJ-CYBMUJFWSA-N 1 2 275.352 0.535 20 30 CCEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2(C#N)CC2)cn1 ZINC000602939246 362898146 /nfs/dbraw/zinc/89/81/46/362898146.db2.gz AQNOPPFIIQIVRA-ZDUSSCGKSA-N 1 2 287.367 0.918 20 30 CCEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC2(C#N)CC2)cn1 ZINC000602939246 362898150 /nfs/dbraw/zinc/89/81/50/362898150.db2.gz AQNOPPFIIQIVRA-ZDUSSCGKSA-N 1 2 287.367 0.918 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000347661767 137348796 /nfs/dbraw/zinc/34/87/96/137348796.db2.gz KDPBXFQGRXFWGD-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000347661767 137348797 /nfs/dbraw/zinc/34/87/97/137348797.db2.gz KDPBXFQGRXFWGD-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000051131486 348486155 /nfs/dbraw/zinc/48/61/55/348486155.db2.gz CQAYGNWYDHMZRB-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000051131486 348486158 /nfs/dbraw/zinc/48/61/58/348486158.db2.gz CQAYGNWYDHMZRB-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccc(NCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000049137575 348443789 /nfs/dbraw/zinc/44/37/89/348443789.db2.gz YEFCYQWVOPDSGF-UHFFFAOYSA-N 1 2 269.308 0.983 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H](C)C#N ZINC000049982260 348462291 /nfs/dbraw/zinc/46/22/91/348462291.db2.gz AGESAVFJXVMHRU-LLVKDONJSA-N 1 2 268.361 0.950 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H](C)C#N ZINC000049982260 348462294 /nfs/dbraw/zinc/46/22/94/348462294.db2.gz AGESAVFJXVMHRU-LLVKDONJSA-N 1 2 268.361 0.950 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072689151 348928654 /nfs/dbraw/zinc/92/86/54/348928654.db2.gz FPBKOUQGTSBSPX-LBPRGKRZSA-N 1 2 297.315 0.014 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072689151 348928659 /nfs/dbraw/zinc/92/86/59/348928659.db2.gz FPBKOUQGTSBSPX-LBPRGKRZSA-N 1 2 297.315 0.014 20 30 CCEDLO C=C(Cl)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000077553973 349113037 /nfs/dbraw/zinc/11/30/37/349113037.db2.gz LJMIXCTXNKCZHQ-SNVBAGLBSA-N 1 2 261.753 0.759 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000081040259 349242980 /nfs/dbraw/zinc/24/29/80/349242980.db2.gz GLHTVCMIKMXGBP-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000081040259 349242982 /nfs/dbraw/zinc/24/29/82/349242982.db2.gz GLHTVCMIKMXGBP-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCO)CC1 ZINC000081648541 349278167 /nfs/dbraw/zinc/27/81/67/349278167.db2.gz IIFZLMMQGNSUIN-UHFFFAOYSA-N 1 2 288.307 0.921 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085824812 349335886 /nfs/dbraw/zinc/33/58/86/349335886.db2.gz GSJUPLBJOHFUIU-SECBINFHSA-N 1 2 265.317 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085824812 349335888 /nfs/dbraw/zinc/33/58/88/349335888.db2.gz GSJUPLBJOHFUIU-SECBINFHSA-N 1 2 265.317 0.242 20 30 CCEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000084203605 349316706 /nfs/dbraw/zinc/31/67/06/349316706.db2.gz YETGYVTVGCFTBO-UHFFFAOYSA-N 1 2 259.309 0.711 20 30 CCEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000084203605 349316708 /nfs/dbraw/zinc/31/67/08/349316708.db2.gz YETGYVTVGCFTBO-UHFFFAOYSA-N 1 2 259.309 0.711 20 30 CCEDLO N#Cc1ccccc1OCC(=O)NCc1c[nH+]c[nH]1 ZINC000088751204 349370814 /nfs/dbraw/zinc/37/08/14/349370814.db2.gz WUYYSJWRRLXZGZ-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO N#Cc1ccccc1OCC(=O)NCc1c[nH]c[nH+]1 ZINC000088751204 349370816 /nfs/dbraw/zinc/37/08/16/349370816.db2.gz WUYYSJWRRLXZGZ-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO C[C@H](CO)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000121123777 350023670 /nfs/dbraw/zinc/02/36/70/350023670.db2.gz URZZGEXGQXDQQG-ZDUSSCGKSA-N 1 2 255.362 0.163 20 30 CCEDLO C[C@H](CO)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000121123777 350023671 /nfs/dbraw/zinc/02/36/71/350023671.db2.gz URZZGEXGQXDQQG-ZDUSSCGKSA-N 1 2 255.362 0.163 20 30 CCEDLO C[C@H](CO)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000121123777 350023672 /nfs/dbraw/zinc/02/36/72/350023672.db2.gz URZZGEXGQXDQQG-ZDUSSCGKSA-N 1 2 255.362 0.163 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@H](CCC)C2)CC1 ZINC000132367130 350304937 /nfs/dbraw/zinc/30/49/37/350304937.db2.gz YACKEPIKMYRRRW-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@H](CCC)C2)CC1 ZINC000132367130 350304943 /nfs/dbraw/zinc/30/49/43/350304943.db2.gz YACKEPIKMYRRRW-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000149265103 350478091 /nfs/dbraw/zinc/47/80/91/350478091.db2.gz BQOZBWTUWUQOMQ-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)N1CC#N ZINC000603097868 362961630 /nfs/dbraw/zinc/96/16/30/362961630.db2.gz MJCAEDZLPUJSDK-RYUDHWBXSA-N 1 2 275.356 0.787 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000603100940 362963973 /nfs/dbraw/zinc/96/39/73/362963973.db2.gz XOCAQKVHYGXLQE-STQMWFEESA-N 1 2 289.383 0.797 20 30 CCEDLO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)ncc1C#N ZINC000603117162 362968819 /nfs/dbraw/zinc/96/88/19/362968819.db2.gz CBKJKFIKPPZCDH-UHFFFAOYSA-N 1 2 289.339 0.137 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000161063107 350711086 /nfs/dbraw/zinc/71/10/86/350711086.db2.gz HMHZRZADQZKHDX-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000161063107 350711088 /nfs/dbraw/zinc/71/10/88/350711088.db2.gz HMHZRZADQZKHDX-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO C[C@H](CNS(=O)(=O)CCCC#N)C[NH+]1CCOCC1 ZINC000160403246 350700733 /nfs/dbraw/zinc/70/07/33/350700733.db2.gz XROAGCYDRJCDCE-GFCCVEGCSA-N 1 2 289.401 0.178 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000163775920 350773480 /nfs/dbraw/zinc/77/34/80/350773480.db2.gz PNFDZSWTOLPCJX-STQMWFEESA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000163775920 350773484 /nfs/dbraw/zinc/77/34/84/350773484.db2.gz PNFDZSWTOLPCJX-STQMWFEESA-N 1 2 260.293 0.666 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000171601997 350919367 /nfs/dbraw/zinc/91/93/67/350919367.db2.gz CWGFIMLQHUXDRG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000171601997 350919370 /nfs/dbraw/zinc/91/93/70/350919370.db2.gz CWGFIMLQHUXDRG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174161279 351072604 /nfs/dbraw/zinc/07/26/04/351072604.db2.gz ZDTDAXVJXUHITP-UHFFFAOYSA-N 1 2 295.412 0.661 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174161279 351072609 /nfs/dbraw/zinc/07/26/09/351072609.db2.gz ZDTDAXVJXUHITP-UHFFFAOYSA-N 1 2 295.412 0.661 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)c[nH]1 ZINC000175526812 351132684 /nfs/dbraw/zinc/13/26/84/351132684.db2.gz NITNYRYTWNXOMC-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO CNC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000182451032 351364271 /nfs/dbraw/zinc/36/42/71/351364271.db2.gz CKJBIOCBHCGXEN-CYBMUJFWSA-N 1 2 299.334 0.153 20 30 CCEDLO N#C[C@@H]1CSCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000603305050 363056300 /nfs/dbraw/zinc/05/63/00/363056300.db2.gz WQWRZJKRZMRESC-SNVBAGLBSA-N 1 2 286.382 0.154 20 30 CCEDLO C=CCn1nnnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000188301219 351585903 /nfs/dbraw/zinc/58/59/03/351585903.db2.gz PWNUUCOENSDCSA-JTQLQIEISA-N 1 2 269.374 0.672 20 30 CCEDLO C=CCn1nnnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC000188301219 351585906 /nfs/dbraw/zinc/58/59/06/351585906.db2.gz PWNUUCOENSDCSA-JTQLQIEISA-N 1 2 269.374 0.672 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000122166051 187018762 /nfs/dbraw/zinc/01/87/62/187018762.db2.gz YYXOSQPAMBPGRB-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000122166051 187018763 /nfs/dbraw/zinc/01/87/63/187018763.db2.gz YYXOSQPAMBPGRB-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@H](Nc1cnc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000123849287 187111813 /nfs/dbraw/zinc/11/18/13/187111813.db2.gz LORYNPDQZDFNHT-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000228261060 352071827 /nfs/dbraw/zinc/07/18/27/352071827.db2.gz ARWPPRNCPGQANZ-CQSZACIVSA-N 1 2 286.335 0.707 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000228261060 352071831 /nfs/dbraw/zinc/07/18/31/352071831.db2.gz ARWPPRNCPGQANZ-CQSZACIVSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccnc1C#N ZINC000235499888 352184076 /nfs/dbraw/zinc/18/40/76/352184076.db2.gz LARAAEFDKWBFCI-SNVBAGLBSA-N 1 2 291.336 0.517 20 30 CCEDLO Cc1nc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000603399660 363111897 /nfs/dbraw/zinc/11/18/97/363111897.db2.gz HTSPWDZIOXPVSW-PHIMTYICSA-N 1 2 289.387 0.669 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC000267413109 352766125 /nfs/dbraw/zinc/76/61/25/352766125.db2.gz RZJJKOPWGKRHNV-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270865670 352997488 /nfs/dbraw/zinc/99/74/88/352997488.db2.gz KVWAQEXXPQMBOO-LBPRGKRZSA-N 1 2 273.336 0.583 20 30 CCEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCNC(=O)C1 ZINC000272255095 353046764 /nfs/dbraw/zinc/04/67/64/353046764.db2.gz JDDLSLVNUZLFJJ-UHFFFAOYSA-N 1 2 291.351 0.269 20 30 CCEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCNC(=O)C1 ZINC000272255095 353046766 /nfs/dbraw/zinc/04/67/66/353046766.db2.gz JDDLSLVNUZLFJJ-UHFFFAOYSA-N 1 2 291.351 0.269 20 30 CCEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)c(F)c1 ZINC000278266735 353290696 /nfs/dbraw/zinc/29/06/96/353290696.db2.gz AHPYUBBERVCKSY-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)c(F)c1 ZINC000278266735 353290699 /nfs/dbraw/zinc/29/06/99/353290699.db2.gz AHPYUBBERVCKSY-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(N)=O ZINC000286627917 353600780 /nfs/dbraw/zinc/60/07/80/353600780.db2.gz YBFIPKKVVTYETA-ZDUSSCGKSA-N 1 2 275.308 0.580 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(N)=O ZINC000286627917 353600784 /nfs/dbraw/zinc/60/07/84/353600784.db2.gz YBFIPKKVVTYETA-ZDUSSCGKSA-N 1 2 275.308 0.580 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000292892184 353785789 /nfs/dbraw/zinc/78/57/89/353785789.db2.gz VFGCXMDGKFULPR-UHFFFAOYSA-N 1 2 276.340 0.876 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2ccc(C#N)c(C)n2)c[nH+]1 ZINC000556841602 291012452 /nfs/dbraw/zinc/01/24/52/291012452.db2.gz CLTDWXICJWYWLQ-UHFFFAOYSA-N 1 2 282.307 0.703 20 30 CCEDLO C#CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000298322848 353963300 /nfs/dbraw/zinc/96/33/00/353963300.db2.gz VPUDJBRNMMJGSC-UHFFFAOYSA-N 1 2 274.324 0.351 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC000299624261 354033435 /nfs/dbraw/zinc/03/34/35/354033435.db2.gz FLCJLIHKNTUXNM-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C ZINC000300187173 354059830 /nfs/dbraw/zinc/05/98/30/354059830.db2.gz PWEDHEBOVYWEQA-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C ZINC000300187173 354059832 /nfs/dbraw/zinc/05/98/32/354059832.db2.gz PWEDHEBOVYWEQA-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000305098418 354129825 /nfs/dbraw/zinc/12/98/25/354129825.db2.gz WTWGOJRNWWKWTM-OLZOCXBDSA-N 1 2 271.382 0.436 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000305098418 354129828 /nfs/dbraw/zinc/12/98/28/354129828.db2.gz WTWGOJRNWWKWTM-OLZOCXBDSA-N 1 2 271.382 0.436 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CO ZINC000330284821 354315978 /nfs/dbraw/zinc/31/59/78/354315978.db2.gz YALUZPKURCYLJQ-QWRGUYRKSA-N 1 2 264.329 0.569 20 30 CCEDLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000330534597 354398211 /nfs/dbraw/zinc/39/82/11/354398211.db2.gz IQDRUQNXVPNHNI-QWRGUYRKSA-N 1 2 295.364 0.640 20 30 CCEDLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000330534597 354398214 /nfs/dbraw/zinc/39/82/14/354398214.db2.gz IQDRUQNXVPNHNI-QWRGUYRKSA-N 1 2 295.364 0.640 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nc3cccnc3[nH]2)C1 ZINC000330210267 283022550 /nfs/dbraw/zinc/02/25/50/283022550.db2.gz CFUWKURNSFZBJQ-VIFPVBQESA-N 1 2 261.285 0.877 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nc3cccnc3[nH]2)C1 ZINC000330210267 283022551 /nfs/dbraw/zinc/02/25/51/283022551.db2.gz CFUWKURNSFZBJQ-VIFPVBQESA-N 1 2 261.285 0.877 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000557419010 291032029 /nfs/dbraw/zinc/03/20/29/291032029.db2.gz XBPXXAIAZMVZMG-CYBMUJFWSA-N 1 2 297.318 0.830 20 30 CCEDLO Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425262497 235278507 /nfs/dbraw/zinc/27/85/07/235278507.db2.gz RTHTYZUQLZTTIC-DGCLKSJQSA-N 1 2 261.325 0.741 20 30 CCEDLO Cc1cc(NCC2(OCCO)CCOCC2)c(C#N)c[nH+]1 ZINC000425263487 235277821 /nfs/dbraw/zinc/27/78/21/235277821.db2.gz URGUDKKKODXFRL-UHFFFAOYSA-N 1 2 291.351 0.654 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000341538432 355689782 /nfs/dbraw/zinc/68/97/82/355689782.db2.gz ATCJJUCHXAPBSU-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000341538432 355689787 /nfs/dbraw/zinc/68/97/87/355689787.db2.gz ATCJJUCHXAPBSU-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO CC1(C)CNC(=O)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000342846637 355757718 /nfs/dbraw/zinc/75/77/18/355757718.db2.gz NEXBEGVLEHUYLQ-UHFFFAOYSA-N 1 2 283.335 0.916 20 30 CCEDLO N#Cc1ncccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000360701140 138007296 /nfs/dbraw/zinc/00/72/96/138007296.db2.gz FFSGXDDHSWLQIY-NSHDSACASA-N 1 2 263.297 0.025 20 30 CCEDLO Cc1cc(C[NH+]2CCN(CCO)CC2)ccc1C#N ZINC000362956525 138082136 /nfs/dbraw/zinc/08/21/36/138082136.db2.gz ZHXGKPHUMGEVGC-UHFFFAOYSA-N 1 2 259.353 0.977 20 30 CCEDLO N#Cc1ccc(NC(=O)CCCn2cc[nH+]c2)nc1 ZINC000609503651 363500397 /nfs/dbraw/zinc/50/03/97/363500397.db2.gz WMBWGPVIQIAOAH-UHFFFAOYSA-N 1 2 255.281 0.991 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000274284691 192518750 /nfs/dbraw/zinc/51/87/50/192518750.db2.gz LORRUVFKJBQICB-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000609705088 363515365 /nfs/dbraw/zinc/51/53/65/363515365.db2.gz PGCKUHPEBHBFHS-QWHCGFSZSA-N 1 2 264.373 0.383 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000610391127 363554133 /nfs/dbraw/zinc/55/41/33/363554133.db2.gz UNPSIUPCICIWCW-INIZCTEOSA-N 1 2 294.443 0.874 20 30 CCEDLO C=C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)OC ZINC000619703405 366327383 /nfs/dbraw/zinc/32/73/83/366327383.db2.gz KLPPNPMPINPBHI-ZDUSSCGKSA-N 1 2 294.355 0.355 20 30 CCEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)C(=O)OC ZINC000619704314 366328647 /nfs/dbraw/zinc/32/86/47/366328647.db2.gz DCMLPXGXMYSZRD-NWDGAFQWSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000619722002 366342467 /nfs/dbraw/zinc/34/24/67/366342467.db2.gz LDZSFBJRFIUGFF-UKKRHICBSA-N 1 2 252.314 0.300 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000619722002 366342475 /nfs/dbraw/zinc/34/24/75/366342475.db2.gz LDZSFBJRFIUGFF-UKKRHICBSA-N 1 2 252.314 0.300 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1F ZINC000365279897 357139985 /nfs/dbraw/zinc/13/99/85/357139985.db2.gz ZOXHNZPLXATLLW-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1F ZINC000365279897 357139988 /nfs/dbraw/zinc/13/99/88/357139988.db2.gz ZOXHNZPLXATLLW-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC(=O)N1 ZINC000449523910 236036770 /nfs/dbraw/zinc/03/67/70/236036770.db2.gz MOUZPACISWLUHX-SNVBAGLBSA-N 1 2 269.308 0.526 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2c[nH]c(C(=O)OC)c2)nn1 ZINC000424166745 358209357 /nfs/dbraw/zinc/20/93/57/358209357.db2.gz BDBIWMDALJOLDL-UHFFFAOYSA-N 1 2 275.312 0.869 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)OC(C)C)CC1 ZINC000490778525 358291049 /nfs/dbraw/zinc/29/10/49/358291049.db2.gz GSJTWIOEZKPMIO-UHFFFAOYSA-N 1 2 298.408 0.449 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000562442526 291151732 /nfs/dbraw/zinc/15/17/32/291151732.db2.gz SKWLGAFDYIWFEO-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000562442526 291151733 /nfs/dbraw/zinc/15/17/33/291151733.db2.gz SKWLGAFDYIWFEO-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO CCC[C@@H]([NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)C(=O)OC ZINC000570964445 358899146 /nfs/dbraw/zinc/89/91/46/358899146.db2.gz RYFVZYCQMJMWJV-ZYHUDNBSSA-N 1 2 291.355 0.728 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(c3cc(C#N)ncn3)C2)CC1 ZINC000571005007 358903221 /nfs/dbraw/zinc/90/32/21/358903221.db2.gz LQHDYCXQEVGWKG-CQSZACIVSA-N 1 2 286.383 0.564 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(c3cncc(C#N)n3)C2)CC1 ZINC000574196514 359037839 /nfs/dbraw/zinc/03/78/39/359037839.db2.gz GRJHUWUHNBJNGG-CQSZACIVSA-N 1 2 286.383 0.564 20 30 CCEDLO CCOC1CC(C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000582363233 359140055 /nfs/dbraw/zinc/14/00/55/359140055.db2.gz NZBNOQRXUCXNTE-GCZXYKMCSA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000610883954 363626129 /nfs/dbraw/zinc/62/61/29/363626129.db2.gz FGKMWCWJHAXJTQ-UHFFFAOYSA-N 1 2 267.252 0.436 20 30 CCEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1C[N@H+](C)CCO1 ZINC000610897274 363628530 /nfs/dbraw/zinc/62/85/30/363628530.db2.gz ALFIQFPKXWDQFA-XQQFMLRXSA-N 1 2 250.346 0.739 20 30 CCEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000610897274 363628532 /nfs/dbraw/zinc/62/85/32/363628532.db2.gz ALFIQFPKXWDQFA-XQQFMLRXSA-N 1 2 250.346 0.739 20 30 CCEDLO CSCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000584848767 359218774 /nfs/dbraw/zinc/21/87/74/359218774.db2.gz ATXJWDARCNHYHW-UHFFFAOYSA-N 1 2 279.365 0.873 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCCCC#N)C1 ZINC000588360272 359323797 /nfs/dbraw/zinc/32/37/97/359323797.db2.gz QECJIOMUGMMVEY-ZDUSSCGKSA-N 1 2 266.389 0.822 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCCCC#N)C1 ZINC000588360272 359323804 /nfs/dbraw/zinc/32/38/04/359323804.db2.gz QECJIOMUGMMVEY-ZDUSSCGKSA-N 1 2 266.389 0.822 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000589331345 359379145 /nfs/dbraw/zinc/37/91/45/359379145.db2.gz KWVJDXQMPUQLRS-UHFFFAOYSA-N 1 2 285.311 0.463 20 30 CCEDLO C[C@@H](NC(=O)c1cccc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000589392600 359379684 /nfs/dbraw/zinc/37/96/84/359379684.db2.gz WOMFGGNSKJQZAF-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589367011 359379887 /nfs/dbraw/zinc/37/98/87/359379887.db2.gz GZUASFOIQRQTLJ-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589367011 359379893 /nfs/dbraw/zinc/37/98/93/359379893.db2.gz GZUASFOIQRQTLJ-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CCC(=O)N1CSC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827773 359402839 /nfs/dbraw/zinc/40/28/39/359402839.db2.gz AXNIRCLOYZPRIL-GXFFZTMASA-N 1 2 298.412 0.258 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000590333976 359440377 /nfs/dbraw/zinc/44/03/77/359440377.db2.gz QSYRSODOLKGHLI-UHFFFAOYSA-N 1 2 289.339 0.248 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000591977334 359717635 /nfs/dbraw/zinc/71/76/35/359717635.db2.gz WHNWGIWMOKFNSP-CQSZACIVSA-N 1 2 289.339 0.168 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000591977334 359717637 /nfs/dbraw/zinc/71/76/37/359717637.db2.gz WHNWGIWMOKFNSP-CQSZACIVSA-N 1 2 289.339 0.168 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592083906 359751135 /nfs/dbraw/zinc/75/11/35/359751135.db2.gz SAMLSNLHFIHLID-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592083906 359751138 /nfs/dbraw/zinc/75/11/38/359751138.db2.gz SAMLSNLHFIHLID-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297447693 200193286 /nfs/dbraw/zinc/19/32/86/200193286.db2.gz OTIWLAHENPELSJ-UHFFFAOYSA-N 1 2 271.361 0.745 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297447693 200193287 /nfs/dbraw/zinc/19/32/87/200193287.db2.gz OTIWLAHENPELSJ-UHFFFAOYSA-N 1 2 271.361 0.745 20 30 CCEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148511 359766868 /nfs/dbraw/zinc/76/68/68/359766868.db2.gz ZHXNPCZFVBSMEP-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148511 359766874 /nfs/dbraw/zinc/76/68/74/359766874.db2.gz ZHXNPCZFVBSMEP-PSASIEDQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000592148973 359767345 /nfs/dbraw/zinc/76/73/45/359767345.db2.gz GFNBGNQALKCQIJ-OAHLLOKOSA-N 1 2 284.319 0.847 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000592148973 359767349 /nfs/dbraw/zinc/76/73/49/359767349.db2.gz GFNBGNQALKCQIJ-OAHLLOKOSA-N 1 2 284.319 0.847 20 30 CCEDLO CC(C)(CNc1ccc(C#N)nn1)[NH+]1CCS(=O)CC1 ZINC000611241504 363694029 /nfs/dbraw/zinc/69/40/29/363694029.db2.gz PDYHDPXXONHPDC-UHFFFAOYSA-N 1 2 293.396 0.025 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000593086124 360032115 /nfs/dbraw/zinc/03/21/15/360032115.db2.gz DIFLSKOLMACRJH-TUAOUCFPSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000593086124 360032118 /nfs/dbraw/zinc/03/21/18/360032118.db2.gz DIFLSKOLMACRJH-TUAOUCFPSA-N 1 2 282.340 0.036 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)C1CC1 ZINC000593094961 360035058 /nfs/dbraw/zinc/03/50/58/360035058.db2.gz MIXZDVHXKHCVHQ-GUXLRTMWSA-N 1 2 281.381 0.000 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)C1CC1 ZINC000593094961 360035059 /nfs/dbraw/zinc/03/50/59/360035059.db2.gz MIXZDVHXKHCVHQ-GUXLRTMWSA-N 1 2 281.381 0.000 20 30 CCEDLO CC[C@@H](C#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000593444088 360090242 /nfs/dbraw/zinc/09/02/42/360090242.db2.gz VHKXYPHGZHWNID-ZDUSSCGKSA-N 1 2 278.356 0.611 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)nn1 ZINC000593972711 360225125 /nfs/dbraw/zinc/22/51/25/360225125.db2.gz CJXPEZZGIKOTEJ-CQSZACIVSA-N 1 2 294.355 0.666 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594273014 360267307 /nfs/dbraw/zinc/26/73/07/360267307.db2.gz LNUDTEWLGQFWDH-NSHDSACASA-N 1 2 264.329 0.977 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594273014 360267310 /nfs/dbraw/zinc/26/73/10/360267310.db2.gz LNUDTEWLGQFWDH-NSHDSACASA-N 1 2 264.329 0.977 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000611429405 363717131 /nfs/dbraw/zinc/71/71/31/363717131.db2.gz NGUAOYNXQMUWCN-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000611429405 363717133 /nfs/dbraw/zinc/71/71/33/363717133.db2.gz NGUAOYNXQMUWCN-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595206844 360450694 /nfs/dbraw/zinc/45/06/94/360450694.db2.gz BTFPNEHJIHPBEX-CQSZACIVSA-N 1 2 288.307 0.791 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595298030 360486559 /nfs/dbraw/zinc/48/65/59/360486559.db2.gz NHAXPVLAANQECP-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595298030 360486565 /nfs/dbraw/zinc/48/65/65/360486565.db2.gz NHAXPVLAANQECP-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595298028 360487287 /nfs/dbraw/zinc/48/72/87/360487287.db2.gz NHAXPVLAANQECP-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595298028 360487290 /nfs/dbraw/zinc/48/72/90/360487290.db2.gz NHAXPVLAANQECP-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@]1(C#N)CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000595833290 360671410 /nfs/dbraw/zinc/67/14/10/360671410.db2.gz GBMWIBVHEAXQJC-OAHLLOKOSA-N 1 2 292.383 0.351 20 30 CCEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000595833290 360671414 /nfs/dbraw/zinc/67/14/14/360671414.db2.gz GBMWIBVHEAXQJC-OAHLLOKOSA-N 1 2 292.383 0.351 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833046 360672032 /nfs/dbraw/zinc/67/20/32/360672032.db2.gz FEVOYZIOSWRCMU-SWLSCSKDSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833046 360672036 /nfs/dbraw/zinc/67/20/36/360672036.db2.gz FEVOYZIOSWRCMU-SWLSCSKDSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838368 360674545 /nfs/dbraw/zinc/67/45/45/360674545.db2.gz AZHZFKKYPUIGKI-TYNCELHUSA-N 1 2 292.383 0.334 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838368 360674549 /nfs/dbraw/zinc/67/45/49/360674549.db2.gz AZHZFKKYPUIGKI-TYNCELHUSA-N 1 2 292.383 0.334 20 30 CCEDLO Cn1ncc(C#N)c1NCC(C)(C)[NH+]1CCOCC1 ZINC000596056033 360782909 /nfs/dbraw/zinc/78/29/09/360782909.db2.gz VHCCFYGCAXJNDP-UHFFFAOYSA-N 1 2 263.345 0.814 20 30 CCEDLO C[C@@H](Nc1c(C#N)cnn1C)[C@H](C)[NH+]1CCOCC1 ZINC000596114972 360799803 /nfs/dbraw/zinc/79/98/03/360799803.db2.gz PPCOWVBDAPUIPD-MNOVXSKESA-N 1 2 263.345 0.813 20 30 CCEDLO N#Cc1nc(NC[C@@H]2C[NH+]3CCN2CC3)sc1Cl ZINC000596170838 360820966 /nfs/dbraw/zinc/82/09/66/360820966.db2.gz XORRYWHNWMEUGD-MRVPVSSYSA-N 1 2 283.788 0.502 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)ncn2)[C@H](C)CO1 ZINC000596432704 360893023 /nfs/dbraw/zinc/89/30/23/360893023.db2.gz RXIZQAVRTCBEPX-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)ncn2)[C@H](C)CO1 ZINC000596432704 360893025 /nfs/dbraw/zinc/89/30/25/360893025.db2.gz RXIZQAVRTCBEPX-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596548660 360919170 /nfs/dbraw/zinc/91/91/70/360919170.db2.gz AKIVVDVHFHOJNC-RYUDHWBXSA-N 1 2 266.345 0.262 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596548658 360919200 /nfs/dbraw/zinc/91/92/00/360919200.db2.gz AKIVVDVHFHOJNC-NEPJUHHUSA-N 1 2 266.345 0.262 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)C#N)[C@@H](C)CO1 ZINC000596550996 360919968 /nfs/dbraw/zinc/91/99/68/360919968.db2.gz YBBFJBKYZTYDBJ-RYUDHWBXSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C#N)[C@@H](C)CO1 ZINC000596550996 360919972 /nfs/dbraw/zinc/91/99/72/360919972.db2.gz YBBFJBKYZTYDBJ-RYUDHWBXSA-N 1 2 282.388 0.945 20 30 CCEDLO N#CCN1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000596994867 360992183 /nfs/dbraw/zinc/99/21/83/360992183.db2.gz IVLTVPBSAZXEBV-UHFFFAOYSA-N 1 2 259.357 0.934 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597158383 361018388 /nfs/dbraw/zinc/01/83/88/361018388.db2.gz XUVAEHFEVPNTHK-CYBMUJFWSA-N 1 2 261.329 0.854 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597158383 361018391 /nfs/dbraw/zinc/01/83/91/361018391.db2.gz XUVAEHFEVPNTHK-CYBMUJFWSA-N 1 2 261.329 0.854 20 30 CCEDLO C#CCOc1ccccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000179835793 189223144 /nfs/dbraw/zinc/22/31/44/189223144.db2.gz NZWTZQIFUSJJKQ-UHFFFAOYSA-N 1 2 287.363 0.302 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597272773 361047529 /nfs/dbraw/zinc/04/75/29/361047529.db2.gz HNTDULXFSSDWLY-NXEZZACHSA-N 1 2 276.296 0.049 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597382794 361079603 /nfs/dbraw/zinc/07/96/03/361079603.db2.gz VKHRCYQZFKZKGS-GXFFZTMASA-N 1 2 262.313 0.490 20 30 CCEDLO N#CC1(CC(=O)Nc2cc[nH+]cc2O)CCOCC1 ZINC000597455890 361101204 /nfs/dbraw/zinc/10/12/04/361101204.db2.gz YZDKDUPULWYPKC-UHFFFAOYSA-N 1 2 261.281 0.858 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597902653 361279422 /nfs/dbraw/zinc/27/94/22/361279422.db2.gz BMGJSMVTRYOXOD-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597902653 361279425 /nfs/dbraw/zinc/27/94/25/361279425.db2.gz BMGJSMVTRYOXOD-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597911358 361281311 /nfs/dbraw/zinc/28/13/11/361281311.db2.gz KYKSTQZRCOILJB-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597911358 361281315 /nfs/dbraw/zinc/28/13/15/361281315.db2.gz KYKSTQZRCOILJB-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598127978 361340088 /nfs/dbraw/zinc/34/00/88/361340088.db2.gz WNXKVUKMUUYKMM-LLVKDONJSA-N 1 2 280.372 0.346 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598127978 361340092 /nfs/dbraw/zinc/34/00/92/361340092.db2.gz WNXKVUKMUUYKMM-LLVKDONJSA-N 1 2 280.372 0.346 20 30 CCEDLO N#Cc1csc(CNCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599018203 361556464 /nfs/dbraw/zinc/55/64/64/361556464.db2.gz HEQSAHSYAOMSMV-JTQLQIEISA-N 1 2 252.343 0.171 20 30 CCEDLO N#Cc1csc(CNCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599018203 361556469 /nfs/dbraw/zinc/55/64/69/361556469.db2.gz HEQSAHSYAOMSMV-JTQLQIEISA-N 1 2 252.343 0.171 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599537146 361730078 /nfs/dbraw/zinc/73/00/78/361730078.db2.gz HWIAHAJNSIXQLC-LLVKDONJSA-N 1 2 290.323 0.279 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166890 363858636 /nfs/dbraw/zinc/85/86/36/363858636.db2.gz XXARLPKMLSBQDO-YGRLFVJLSA-N 1 2 278.356 0.989 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166890 363858639 /nfs/dbraw/zinc/85/86/39/363858639.db2.gz XXARLPKMLSBQDO-YGRLFVJLSA-N 1 2 278.356 0.989 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573660 363961911 /nfs/dbraw/zinc/96/19/11/363961911.db2.gz ZTOSRRJITIMWBN-UWVGGRQHSA-N 1 2 276.344 0.270 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573660 363961915 /nfs/dbraw/zinc/96/19/15/363961915.db2.gz ZTOSRRJITIMWBN-UWVGGRQHSA-N 1 2 276.344 0.270 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccn1 ZINC000613584635 364304048 /nfs/dbraw/zinc/30/40/48/364304048.db2.gz CWDPGZNCEJJBJU-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccn1 ZINC000613584635 364304057 /nfs/dbraw/zinc/30/40/57/364304057.db2.gz CWDPGZNCEJJBJU-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO N#CC1(NC(=O)CSCC[NH+]2CCOCC2)CCC1 ZINC000615170936 364866330 /nfs/dbraw/zinc/86/63/30/364866330.db2.gz AAKFUPZYFQYGHG-UHFFFAOYSA-N 1 2 283.397 0.614 20 30 CCEDLO C[C@H](C(=O)N1CC[C@](F)(C#N)C1)[NH+]1CCSCC1 ZINC000615664401 365042878 /nfs/dbraw/zinc/04/28/78/365042878.db2.gz KMSHYSCJHNPCKZ-PWSUYJOCSA-N 1 2 271.361 0.888 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615787438 365089724 /nfs/dbraw/zinc/08/97/24/365089724.db2.gz GHDLLHFXWOVEFO-SDDRHHMPSA-N 1 2 263.341 0.801 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000615787438 365089728 /nfs/dbraw/zinc/08/97/28/365089728.db2.gz GHDLLHFXWOVEFO-SDDRHHMPSA-N 1 2 263.341 0.801 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(CCC#N)CC1 ZINC000615793374 365090517 /nfs/dbraw/zinc/09/05/17/365090517.db2.gz LUQZUOVTMNZMQQ-CYBMUJFWSA-N 1 2 289.383 0.469 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000615825440 365098132 /nfs/dbraw/zinc/09/81/32/365098132.db2.gz QMGRDAOVCKBJPH-GXFFZTMASA-N 1 2 262.288 0.910 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204372 291375577 /nfs/dbraw/zinc/37/55/77/291375577.db2.gz VYACVPDFSFIHJK-SNVBAGLBSA-N 1 2 287.323 0.054 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204372 291375578 /nfs/dbraw/zinc/37/55/78/291375578.db2.gz VYACVPDFSFIHJK-SNVBAGLBSA-N 1 2 287.323 0.054 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000625729581 368306442 /nfs/dbraw/zinc/30/64/42/368306442.db2.gz COMLBRCZFOVABB-LBPRGKRZSA-N 1 2 270.398 0.898 20 30 CCEDLO C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000330599772 203021194 /nfs/dbraw/zinc/02/11/94/203021194.db2.gz FNUPYUIQBLRGLZ-UPJWGTAASA-N 1 2 275.308 0.826 20 30 CCEDLO C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000330599772 203021198 /nfs/dbraw/zinc/02/11/98/203021198.db2.gz FNUPYUIQBLRGLZ-UPJWGTAASA-N 1 2 275.308 0.826 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000630738347 370253410 /nfs/dbraw/zinc/25/34/10/370253410.db2.gz ASJMGCJSJHJFMD-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631647605 370625688 /nfs/dbraw/zinc/62/56/88/370625688.db2.gz SMRPFWQADSMUDX-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631647605 370625692 /nfs/dbraw/zinc/62/56/92/370625692.db2.gz SMRPFWQADSMUDX-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C(CC)Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000656452201 412801278 /nfs/dbraw/zinc/80/12/78/412801278.db2.gz BPWAQJLDRFQARE-LLVKDONJSA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)CC2CC2)nn1 ZINC000640982031 376646073 /nfs/dbraw/zinc/64/60/73/376646073.db2.gz FIXPRHZFYVOXJN-UHFFFAOYSA-N 1 2 275.356 0.259 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc[nH]c(=O)c2)nn1 ZINC000641053052 376720398 /nfs/dbraw/zinc/72/03/98/376720398.db2.gz XFBUZCCYZBDPKM-UHFFFAOYSA-N 1 2 257.297 0.540 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2C(C)(C)C)nn1 ZINC000641165926 376832762 /nfs/dbraw/zinc/83/27/62/376832762.db2.gz MLWKCXWKLKRXNZ-UHFFFAOYSA-N 1 2 287.371 0.786 20 30 CCEDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000516968327 249193788 /nfs/dbraw/zinc/19/37/88/249193788.db2.gz AIEQNLYLSDBGMD-DGCLKSJQSA-N 1 2 277.280 0.970 20 30 CCEDLO N#Cc1ccc(NCC(=O)N2CCn3c[nH+]cc3C2)nc1 ZINC000574702369 335041571 /nfs/dbraw/zinc/04/15/71/335041571.db2.gz KLAMQZMEKNKYFT-UHFFFAOYSA-N 1 2 282.307 0.026 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2cc(C#N)c[nH]2)c[nH+]1 ZINC000569754061 291706699 /nfs/dbraw/zinc/70/66/99/291706699.db2.gz AOGJPEMESAMYFF-UHFFFAOYSA-N 1 2 256.269 0.327 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)NCC)nn1 ZINC000657292022 412954535 /nfs/dbraw/zinc/95/45/35/412954535.db2.gz BUJBXAOTHBQBTO-SNVBAGLBSA-N 1 2 251.334 0.468 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495748 388755169 /nfs/dbraw/zinc/75/51/69/388755169.db2.gz QHIFPQIYIAYAHD-FVCCEPFGSA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495748 388755172 /nfs/dbraw/zinc/75/51/72/388755172.db2.gz QHIFPQIYIAYAHD-FVCCEPFGSA-N 1 2 296.367 0.472 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000023253864 388802790 /nfs/dbraw/zinc/80/27/90/388802790.db2.gz JXANNYLAFDYRDQ-UHFFFAOYSA-N 1 2 298.390 0.954 20 30 CCEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)N(C)CCC#N ZINC000042994739 388867962 /nfs/dbraw/zinc/86/79/62/388867962.db2.gz YNLRGSZFBICCCC-UHFFFAOYSA-N 1 2 297.384 0.327 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCOCC1 ZINC000044766631 388872291 /nfs/dbraw/zinc/87/22/91/388872291.db2.gz YERRMQQKTPOVAZ-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000187340532 388877561 /nfs/dbraw/zinc/87/75/61/388877561.db2.gz BPGUPLQZBRLRJJ-OAHLLOKOSA-N 1 2 294.399 0.739 20 30 CCEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000187340532 388877563 /nfs/dbraw/zinc/87/75/63/388877563.db2.gz BPGUPLQZBRLRJJ-OAHLLOKOSA-N 1 2 294.399 0.739 20 30 CCEDLO C=C[C@@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000290513156 388906053 /nfs/dbraw/zinc/90/60/53/388906053.db2.gz GSGROAFSSDPNAC-JTQLQIEISA-N 1 2 262.300 0.627 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000050274672 388926377 /nfs/dbraw/zinc/92/63/77/388926377.db2.gz MEGMRQTXQCBIEV-UHFFFAOYSA-N 1 2 269.389 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000050274672 388926381 /nfs/dbraw/zinc/92/63/81/388926381.db2.gz MEGMRQTXQCBIEV-UHFFFAOYSA-N 1 2 269.389 0.867 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000052710106 388927467 /nfs/dbraw/zinc/92/74/67/388927467.db2.gz BRMVINVZQFKSMF-GJZGRUSLSA-N 1 2 277.412 0.742 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000052710106 388927468 /nfs/dbraw/zinc/92/74/68/388927468.db2.gz BRMVINVZQFKSMF-GJZGRUSLSA-N 1 2 277.412 0.742 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000291717942 388935058 /nfs/dbraw/zinc/93/50/58/388935058.db2.gz WIJKPSFGQTXMIB-UHFFFAOYSA-N 1 2 273.340 0.130 20 30 CCEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000066566771 388945248 /nfs/dbraw/zinc/94/52/48/388945248.db2.gz QZPHMRSGPHYWSP-KGLIPLIRSA-N 1 2 278.400 0.822 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000293509898 388983356 /nfs/dbraw/zinc/98/33/56/388983356.db2.gz OFCAOHKGCORPDM-UHFFFAOYSA-N 1 2 270.283 0.850 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000293509898 388983358 /nfs/dbraw/zinc/98/33/58/388983358.db2.gz OFCAOHKGCORPDM-UHFFFAOYSA-N 1 2 270.283 0.850 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1F ZINC000295410124 389007015 /nfs/dbraw/zinc/00/70/15/389007015.db2.gz BXQFUZSUNHBFHO-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1F ZINC000295410124 389007019 /nfs/dbraw/zinc/00/70/19/389007019.db2.gz BXQFUZSUNHBFHO-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO C=CCOCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000354451991 389025522 /nfs/dbraw/zinc/02/55/22/389025522.db2.gz UHMWONXONWXCMJ-UHFFFAOYSA-N 1 2 291.351 0.737 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092841648 389032650 /nfs/dbraw/zinc/03/26/50/389032650.db2.gz IDZBDGKHJGBACI-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092841648 389032652 /nfs/dbraw/zinc/03/26/52/389032652.db2.gz IDZBDGKHJGBACI-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865071 389025883 /nfs/dbraw/zinc/02/58/83/389025883.db2.gz OVJFZGWMHBLXHE-AWEZNQCLSA-N 1 2 285.347 0.908 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091865071 389025887 /nfs/dbraw/zinc/02/58/87/389025887.db2.gz OVJFZGWMHBLXHE-AWEZNQCLSA-N 1 2 285.347 0.908 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000355289095 389053219 /nfs/dbraw/zinc/05/32/19/389053219.db2.gz XZIIQMWBPZKHJD-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1=O ZINC000337203812 389054849 /nfs/dbraw/zinc/05/48/49/389054849.db2.gz GYWDFSDICUMZAG-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)n(C)n2)C1=O ZINC000337203812 389054850 /nfs/dbraw/zinc/05/48/50/389054850.db2.gz GYWDFSDICUMZAG-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1=O ZINC000337207851 389056456 /nfs/dbraw/zinc/05/64/56/389056456.db2.gz PKIDJXUCMQDITP-SCZZXKLOSA-N 1 2 250.302 0.816 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NC ZINC000298617817 389035807 /nfs/dbraw/zinc/03/58/07/389035807.db2.gz UMCLPOJNVHXPNA-GFCCVEGCSA-N 1 2 273.336 0.966 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NC ZINC000298617817 389035809 /nfs/dbraw/zinc/03/58/09/389035809.db2.gz UMCLPOJNVHXPNA-GFCCVEGCSA-N 1 2 273.336 0.966 20 30 CCEDLO CCC[N@H+](CC#N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697250 389037872 /nfs/dbraw/zinc/03/78/72/389037872.db2.gz KWLYUEFRBOOSCQ-GFCCVEGCSA-N 1 2 273.402 0.894 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697250 389037878 /nfs/dbraw/zinc/03/78/78/389037878.db2.gz KWLYUEFRBOOSCQ-GFCCVEGCSA-N 1 2 273.402 0.894 20 30 CCEDLO CC(C)(CNC(=O)NCCC1(O)CCC1)[NH+]1CCOCC1 ZINC000328881507 389142956 /nfs/dbraw/zinc/14/29/56/389142956.db2.gz MHOQCHCWQIBXQZ-UHFFFAOYSA-N 1 2 299.415 0.906 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)NCc1ccccc1F ZINC000121323976 389146818 /nfs/dbraw/zinc/14/68/18/389146818.db2.gz XEWBTZIFOOKQON-VIFPVBQESA-N 1 2 283.303 0.502 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358291910 389147140 /nfs/dbraw/zinc/14/71/40/389147140.db2.gz USXAYMYWUXXUIX-VHSXEESVSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358291910 389147144 /nfs/dbraw/zinc/14/71/44/389147144.db2.gz USXAYMYWUXXUIX-VHSXEESVSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338592413 389113139 /nfs/dbraw/zinc/11/31/39/389113139.db2.gz ZNMUJXYFEDKTAE-TZMCWYRMSA-N 1 2 270.348 0.982 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338592413 389113142 /nfs/dbraw/zinc/11/31/42/389113142.db2.gz ZNMUJXYFEDKTAE-TZMCWYRMSA-N 1 2 270.348 0.982 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338588671 389113223 /nfs/dbraw/zinc/11/32/23/389113223.db2.gz ZEDQKQDLNWXUOL-AAEUAGOBSA-N 1 2 271.336 0.401 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338588671 389113227 /nfs/dbraw/zinc/11/32/27/389113227.db2.gz ZEDQKQDLNWXUOL-AAEUAGOBSA-N 1 2 271.336 0.401 20 30 CCEDLO COc1ccc(-c2noc(CO[NH+]=C(N)CCO)n2)cc1 ZINC000121417113 389148264 /nfs/dbraw/zinc/14/82/64/389148264.db2.gz XEOFKRRTRXKRQL-UHFFFAOYSA-N 1 2 292.295 0.916 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000338910718 389118214 /nfs/dbraw/zinc/11/82/14/389118214.db2.gz ZIKNAIZGIAEJSP-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)OCC ZINC000339372241 389131090 /nfs/dbraw/zinc/13/10/90/389131090.db2.gz XUGIOFJQJGMHEJ-UONOGXRCSA-N 1 2 283.416 0.720 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)OCC ZINC000339372241 389131092 /nfs/dbraw/zinc/13/10/92/389131092.db2.gz XUGIOFJQJGMHEJ-UONOGXRCSA-N 1 2 283.416 0.720 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(C#N)CCSCC2)C1 ZINC000339490425 389134062 /nfs/dbraw/zinc/13/40/62/389134062.db2.gz WAANXYJNQCMTME-JTQLQIEISA-N 1 2 269.370 0.223 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(C#N)CCSCC2)C1 ZINC000339490425 389134067 /nfs/dbraw/zinc/13/40/67/389134067.db2.gz WAANXYJNQCMTME-JTQLQIEISA-N 1 2 269.370 0.223 20 30 CCEDLO Cc1cncc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000328861110 389141405 /nfs/dbraw/zinc/14/14/05/389141405.db2.gz ZEUXCUGGWRRJBN-CQSZACIVSA-N 1 2 291.399 0.639 20 30 CCEDLO Cc1cncc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000328861110 389141406 /nfs/dbraw/zinc/14/14/06/389141406.db2.gz ZEUXCUGGWRRJBN-CQSZACIVSA-N 1 2 291.399 0.639 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329747357 389195643 /nfs/dbraw/zinc/19/56/43/389195643.db2.gz SIEFKKFDUSXATJ-MIJXAVMKSA-N 1 2 290.367 0.884 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329747357 389195646 /nfs/dbraw/zinc/19/56/46/389195646.db2.gz SIEFKKFDUSXATJ-MIJXAVMKSA-N 1 2 290.367 0.884 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360489651 389198531 /nfs/dbraw/zinc/19/85/31/389198531.db2.gz HKPXBLZVOCOWLU-RKDXNWHRSA-N 1 2 250.302 0.113 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360489651 389198532 /nfs/dbraw/zinc/19/85/32/389198532.db2.gz HKPXBLZVOCOWLU-RKDXNWHRSA-N 1 2 250.302 0.113 20 30 CCEDLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCO1 ZINC000329801517 389203208 /nfs/dbraw/zinc/20/32/08/389203208.db2.gz JRVDUFQSKZHZMU-SDDRHHMPSA-N 1 2 254.330 0.985 20 30 CCEDLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCO1 ZINC000329801517 389203210 /nfs/dbraw/zinc/20/32/10/389203210.db2.gz JRVDUFQSKZHZMU-SDDRHHMPSA-N 1 2 254.330 0.985 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000329153720 389151296 /nfs/dbraw/zinc/15/12/96/389151296.db2.gz UIPMNMHGKAGQNN-OCCSQVGLSA-N 1 2 284.404 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000329153720 389151299 /nfs/dbraw/zinc/15/12/99/389151299.db2.gz UIPMNMHGKAGQNN-OCCSQVGLSA-N 1 2 284.404 0.305 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H](F)C2)C1 ZINC000329286364 389154671 /nfs/dbraw/zinc/15/46/71/389154671.db2.gz PFJJASHVXJOWLE-HBNTYKKESA-N 1 2 259.325 0.711 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H](F)C2)C1 ZINC000329286364 389154675 /nfs/dbraw/zinc/15/46/75/389154675.db2.gz PFJJASHVXJOWLE-HBNTYKKESA-N 1 2 259.325 0.711 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000329382765 389160702 /nfs/dbraw/zinc/16/07/02/389160702.db2.gz QVXQFCIPRXBTSV-UPJWGTAASA-N 1 2 285.388 0.636 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@H]1CCCOC1 ZINC000329393634 389161331 /nfs/dbraw/zinc/16/13/31/389161331.db2.gz UUDGMRQHRYKZQJ-FQUUOJAGSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@H]1CCCOC1 ZINC000329393634 389161333 /nfs/dbraw/zinc/16/13/33/389161333.db2.gz UUDGMRQHRYKZQJ-FQUUOJAGSA-N 1 2 297.399 0.730 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124517856 389161759 /nfs/dbraw/zinc/16/17/59/389161759.db2.gz MWWOYXCJUIAEED-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000124517856 389161760 /nfs/dbraw/zinc/16/17/60/389161760.db2.gz MWWOYXCJUIAEED-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCCCO3)C[C@H]21 ZINC000329474793 389165542 /nfs/dbraw/zinc/16/55/42/389165542.db2.gz AZNFBFJAOKMEPP-BFHYXJOUSA-N 1 2 297.399 0.874 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCCCO3)C[C@H]21 ZINC000329474793 389165545 /nfs/dbraw/zinc/16/55/45/389165545.db2.gz AZNFBFJAOKMEPP-BFHYXJOUSA-N 1 2 297.399 0.874 20 30 CCEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCCOC1 ZINC000329542339 389169403 /nfs/dbraw/zinc/16/94/03/389169403.db2.gz DVSURJJTECCNJF-ZJUUUORDSA-N 1 2 264.329 0.950 20 30 CCEDLO Cc1c(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)cnn1C ZINC000329542055 389169727 /nfs/dbraw/zinc/16/97/27/389169727.db2.gz DSAXKDVDEJXTLT-UHFFFAOYSA-N 1 2 274.328 0.855 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000329569251 389172101 /nfs/dbraw/zinc/17/21/01/389172101.db2.gz PSLNABALIIURPN-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000329569251 389172104 /nfs/dbraw/zinc/17/21/04/389172104.db2.gz PSLNABALIIURPN-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@]3(C)CCOC3)C[C@@H]21 ZINC000329606435 389175725 /nfs/dbraw/zinc/17/57/25/389175725.db2.gz MNJGVYSIUSPVSU-SCRDCRAPSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@]3(C)CCOC3)C[C@@H]21 ZINC000329606435 389175727 /nfs/dbraw/zinc/17/57/27/389175727.db2.gz MNJGVYSIUSPVSU-SCRDCRAPSA-N 1 2 283.372 0.342 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000330589306 389244344 /nfs/dbraw/zinc/24/43/44/389244344.db2.gz WOHYPGYKJRWXFF-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1CC ZINC000330589306 389244345 /nfs/dbraw/zinc/24/43/45/389244345.db2.gz WOHYPGYKJRWXFF-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248614350 389247987 /nfs/dbraw/zinc/24/79/87/389247987.db2.gz HZDQWVYWLIBBPG-KBPBESRZSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248614350 389247991 /nfs/dbraw/zinc/24/79/91/389247991.db2.gz HZDQWVYWLIBBPG-KBPBESRZSA-N 1 2 284.400 0.883 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CSCC#N ZINC000330627682 389248247 /nfs/dbraw/zinc/24/82/47/389248247.db2.gz XNEVXEAZEOEEFZ-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CSCC#N ZINC000330627682 389248251 /nfs/dbraw/zinc/24/82/51/389248251.db2.gz XNEVXEAZEOEEFZ-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO C=CCN(Cc1[nH+]cc(C)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000342783374 389252806 /nfs/dbraw/zinc/25/28/06/389252806.db2.gz PKICALTXKCJCTN-LBPRGKRZSA-N 1 2 283.397 0.904 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342299415 389207905 /nfs/dbraw/zinc/20/79/05/389207905.db2.gz ZPYYEXPNUMLMDQ-IPYPFGDCSA-N 1 2 282.384 0.635 20 30 CCEDLO CO[C@@H](C(=O)NCC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000329937397 389212234 /nfs/dbraw/zinc/21/22/34/389212234.db2.gz LNGMVBCJSBESHW-CYBMUJFWSA-N 1 2 283.372 0.532 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000329929848 389212590 /nfs/dbraw/zinc/21/25/90/389212590.db2.gz ZCEYAYATXRZRID-NSHDSACASA-N 1 2 254.330 0.987 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(Cl)n1 ZINC000131555893 389215741 /nfs/dbraw/zinc/21/57/41/389215741.db2.gz UVARVCWHNUIERI-UHFFFAOYSA-N 1 2 284.747 0.856 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246907271 389233475 /nfs/dbraw/zinc/23/34/75/389233475.db2.gz FWBQYJUWFNQJQB-MPBGBICISA-N 1 2 292.404 0.994 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246907271 389233476 /nfs/dbraw/zinc/23/34/76/389233476.db2.gz FWBQYJUWFNQJQB-MPBGBICISA-N 1 2 292.404 0.994 20 30 CCEDLO C[NH+](C)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000136436847 389266713 /nfs/dbraw/zinc/26/67/13/389266713.db2.gz HFWINMRFFXOELS-UHFFFAOYSA-N 1 2 289.307 0.676 20 30 CCEDLO C[C@@H](CO)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330529267 389238324 /nfs/dbraw/zinc/23/83/24/389238324.db2.gz YYTGZUYTHBYGEV-LLVKDONJSA-N 1 2 273.377 0.229 20 30 CCEDLO C[C@@H](CO)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330529267 389238326 /nfs/dbraw/zinc/23/83/26/389238326.db2.gz YYTGZUYTHBYGEV-LLVKDONJSA-N 1 2 273.377 0.229 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000330532925 389238641 /nfs/dbraw/zinc/23/86/41/389238641.db2.gz OBFDNMRRSQTGAL-SNVBAGLBSA-N 1 2 298.387 0.416 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000330532925 389238643 /nfs/dbraw/zinc/23/86/43/389238643.db2.gz OBFDNMRRSQTGAL-SNVBAGLBSA-N 1 2 298.387 0.416 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000154257715 389311333 /nfs/dbraw/zinc/31/13/33/389311333.db2.gz FHMWPPTUDRZIRP-LBPRGKRZSA-N 1 2 280.299 0.769 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000345721808 389313351 /nfs/dbraw/zinc/31/33/51/389313351.db2.gz LVCVLHXUZPBJPF-KKUMJFAQSA-N 1 2 295.427 0.720 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000154951635 389315754 /nfs/dbraw/zinc/31/57/54/389315754.db2.gz OCDXAVHHNGUEOF-VXGBXAGGSA-N 1 2 255.362 0.923 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000155909673 389321863 /nfs/dbraw/zinc/32/18/63/389321863.db2.gz JFVNMFVKJTVKFG-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000155909673 389321867 /nfs/dbraw/zinc/32/18/67/389321867.db2.gz JFVNMFVKJTVKFG-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CO[C@H](C)[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330977722 389269908 /nfs/dbraw/zinc/26/99/08/389269908.db2.gz LFLFUPGUVACIIB-TUAOUCFPSA-N 1 2 272.393 0.159 20 30 CCEDLO CO[C@H](C)[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330977722 389269909 /nfs/dbraw/zinc/26/99/09/389269909.db2.gz LFLFUPGUVACIIB-TUAOUCFPSA-N 1 2 272.393 0.159 20 30 CCEDLO N#CCN(C[C@@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000151128493 389275730 /nfs/dbraw/zinc/27/57/30/389275730.db2.gz OYNKFPGXOGWRER-AWEZNQCLSA-N 1 2 267.373 0.448 20 30 CCEDLO CC(C)[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC000331015900 389283717 /nfs/dbraw/zinc/28/37/17/389283717.db2.gz XZOWLKYYSKRYLL-MNOVXSKESA-N 1 2 285.392 0.296 20 30 CCEDLO CC(C)[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC000331015900 389283718 /nfs/dbraw/zinc/28/37/18/389283718.db2.gz XZOWLKYYSKRYLL-MNOVXSKESA-N 1 2 285.392 0.296 20 30 CCEDLO C[C@H](C(=O)N[C@H](C#N)C1CC1)[NH+]1CCSCC1 ZINC000152391171 389290309 /nfs/dbraw/zinc/29/03/09/389290309.db2.gz BCWVKGKJOUDRMD-MWLCHTKSSA-N 1 2 253.371 0.842 20 30 CCEDLO COC(=O)C1([N@H+](C)CC(=O)NC2(C#N)CCC2)CCCC1 ZINC000346974720 389342271 /nfs/dbraw/zinc/34/22/71/389342271.db2.gz FOXSHADBBFODNC-UHFFFAOYSA-N 1 2 293.367 0.966 20 30 CCEDLO COC(=O)C1([N@@H+](C)CC(=O)NC2(C#N)CCC2)CCCC1 ZINC000346974720 389342273 /nfs/dbraw/zinc/34/22/73/389342273.db2.gz FOXSHADBBFODNC-UHFFFAOYSA-N 1 2 293.367 0.966 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366569897 389304998 /nfs/dbraw/zinc/30/49/98/389304998.db2.gz IIFNCASOCVQBRA-VNHYZAJKSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366569897 389305001 /nfs/dbraw/zinc/30/50/01/389305001.db2.gz IIFNCASOCVQBRA-VNHYZAJKSA-N 1 2 295.383 0.627 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000264144285 389309107 /nfs/dbraw/zinc/30/91/07/389309107.db2.gz HTRYIQGDZPBATO-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000264144285 389309109 /nfs/dbraw/zinc/30/91/09/389309109.db2.gz HTRYIQGDZPBATO-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCNC2=O)cs1 ZINC000269293028 389412835 /nfs/dbraw/zinc/41/28/35/389412835.db2.gz OVBCOMBNSMNRHS-QMMMGPOBSA-N 1 2 254.315 0.171 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000347017513 389345607 /nfs/dbraw/zinc/34/56/07/389345607.db2.gz DRKXOJRECOSVKK-AGIUHOORSA-N 1 2 295.383 0.673 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000347017513 389345609 /nfs/dbraw/zinc/34/56/09/389345609.db2.gz DRKXOJRECOSVKK-AGIUHOORSA-N 1 2 295.383 0.673 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)nn1 ZINC000657640523 413041110 /nfs/dbraw/zinc/04/11/10/413041110.db2.gz XVBHHKQXWTXHQR-RYUDHWBXSA-N 1 2 298.412 0.910 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000274012560 389478557 /nfs/dbraw/zinc/47/85/57/389478557.db2.gz AXIXTXXOVKHJES-UHFFFAOYSA-N 1 2 277.246 0.472 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000274012560 389478558 /nfs/dbraw/zinc/47/85/58/389478558.db2.gz AXIXTXXOVKHJES-UHFFFAOYSA-N 1 2 277.246 0.472 20 30 CCEDLO Cn1cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1C#N ZINC000276702475 389530547 /nfs/dbraw/zinc/53/05/47/389530547.db2.gz BIGUJGCTKBUCSJ-UHFFFAOYSA-N 1 2 289.383 0.278 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1C#N ZINC000276702475 389530553 /nfs/dbraw/zinc/53/05/53/389530553.db2.gz BIGUJGCTKBUCSJ-UHFFFAOYSA-N 1 2 289.383 0.278 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000175932339 389549877 /nfs/dbraw/zinc/54/98/77/389549877.db2.gz QPUVYPZFUPLVFW-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000175932339 389549880 /nfs/dbraw/zinc/54/98/80/389549880.db2.gz QPUVYPZFUPLVFW-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000351602052 389627954 /nfs/dbraw/zinc/62/79/54/389627954.db2.gz KENWIHZQMLICHN-LLVKDONJSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000351602052 389627959 /nfs/dbraw/zinc/62/79/59/389627959.db2.gz KENWIHZQMLICHN-LLVKDONJSA-N 1 2 277.324 0.992 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCC)C1=O ZINC000281919147 389634853 /nfs/dbraw/zinc/63/48/53/389634853.db2.gz HBUOHRXVWFTQTR-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCC)C1=O ZINC000281919147 389634856 /nfs/dbraw/zinc/63/48/56/389634856.db2.gz HBUOHRXVWFTQTR-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375129789 389641153 /nfs/dbraw/zinc/64/11/53/389641153.db2.gz XFIPDFVEZRMJLS-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375129789 389641154 /nfs/dbraw/zinc/64/11/54/389641154.db2.gz XFIPDFVEZRMJLS-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@H]2CCC)C1=O ZINC000281140497 389608588 /nfs/dbraw/zinc/60/85/88/389608588.db2.gz APPZYAPBIBSWCW-NEPJUHHUSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@H]2CCC)C1=O ZINC000281140497 389608590 /nfs/dbraw/zinc/60/85/90/389608590.db2.gz APPZYAPBIBSWCW-NEPJUHHUSA-N 1 2 265.357 0.374 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506736 389658045 /nfs/dbraw/zinc/65/80/45/389658045.db2.gz CWXMCBWUYGDRSN-LLVKDONJSA-N 1 2 288.355 0.501 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506736 389658049 /nfs/dbraw/zinc/65/80/49/389658049.db2.gz CWXMCBWUYGDRSN-LLVKDONJSA-N 1 2 288.355 0.501 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCC(c3nc[nH]n3)CC2)C1=O ZINC000375608164 389690937 /nfs/dbraw/zinc/69/09/37/389690937.db2.gz QGZMHRPZVJJFKO-LBPRGKRZSA-N 1 2 275.356 0.771 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@]23CCOC3)C1=O ZINC000375609492 389692062 /nfs/dbraw/zinc/69/20/62/389692062.db2.gz AUHCVKKLQHTKBS-JSGCOSHPSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@]23CCOC3)C1=O ZINC000375609492 389692066 /nfs/dbraw/zinc/69/20/66/389692066.db2.gz AUHCVKKLQHTKBS-JSGCOSHPSA-N 1 2 266.341 0.265 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374201 389695282 /nfs/dbraw/zinc/69/52/82/389695282.db2.gz NPTUSAXCFCSHRU-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374201 389695286 /nfs/dbraw/zinc/69/52/86/389695286.db2.gz NPTUSAXCFCSHRU-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000375666596 389697570 /nfs/dbraw/zinc/69/75/70/389697570.db2.gz WSEQEQBSAKMVSZ-OLZOCXBDSA-N 1 2 298.412 0.786 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000375666596 389697575 /nfs/dbraw/zinc/69/75/75/389697575.db2.gz WSEQEQBSAKMVSZ-OLZOCXBDSA-N 1 2 298.412 0.786 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)N(CC)C[C@H](C)C#N ZINC000429121631 389738108 /nfs/dbraw/zinc/73/81/08/389738108.db2.gz LZAFOMLKESGXOX-LLVKDONJSA-N 1 2 268.361 0.192 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(CC)C[C@H](C)C#N ZINC000429121631 389738112 /nfs/dbraw/zinc/73/81/12/389738112.db2.gz LZAFOMLKESGXOX-LLVKDONJSA-N 1 2 268.361 0.192 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000416415419 389740541 /nfs/dbraw/zinc/74/05/41/389740541.db2.gz UBPSAALKFAVMAP-GRYCIOLGSA-N 1 2 289.401 0.005 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000416415419 389740542 /nfs/dbraw/zinc/74/05/42/389740542.db2.gz UBPSAALKFAVMAP-GRYCIOLGSA-N 1 2 289.401 0.005 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000408190936 389832997 /nfs/dbraw/zinc/83/29/97/389832997.db2.gz FCKVMINXVHOCMD-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2[C@H]2CCCO2)C1=O ZINC000352672610 389834694 /nfs/dbraw/zinc/83/46/94/389834694.db2.gz VFEZJWFYSXGPLX-MELADBBJSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2[C@H]2CCCO2)C1=O ZINC000352672610 389834697 /nfs/dbraw/zinc/83/46/97/389834697.db2.gz VFEZJWFYSXGPLX-MELADBBJSA-N 1 2 280.368 0.653 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000442659100 389853967 /nfs/dbraw/zinc/85/39/67/389853967.db2.gz VPUJEQKPCPOJFF-UHFFFAOYSA-N 1 2 256.265 0.927 20 30 CCEDLO C=CCNc1ncc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000433234752 389906753 /nfs/dbraw/zinc/90/67/53/389906753.db2.gz SHHQTHYTSMJODA-UHFFFAOYSA-N 1 2 263.326 0.816 20 30 CCEDLO C=CCNc1ncc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000433234752 389906755 /nfs/dbraw/zinc/90/67/55/389906755.db2.gz SHHQTHYTSMJODA-UHFFFAOYSA-N 1 2 263.326 0.816 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC(C)(C)C#N ZINC000433296481 389907641 /nfs/dbraw/zinc/90/76/41/389907641.db2.gz SNRMAADWINBXKV-NEPJUHHUSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433296481 389907642 /nfs/dbraw/zinc/90/76/42/389907642.db2.gz SNRMAADWINBXKV-NEPJUHHUSA-N 1 2 294.399 0.580 20 30 CCEDLO CC(C)(CNc1cncc(C#N)n1)[NH+]1CCOCC1 ZINC000420582967 390014243 /nfs/dbraw/zinc/01/42/43/390014243.db2.gz JMKCZDVFCPXTLU-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO N#CCN1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492858683 390118588 /nfs/dbraw/zinc/11/85/88/390118588.db2.gz FUFVLIWHDZOBKR-OWOJBTEDSA-N 1 2 273.340 0.775 20 30 CCEDLO CO[C@@H]1C[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1OC ZINC000487999302 390091174 /nfs/dbraw/zinc/09/11/74/390091174.db2.gz LYRUIKCJAHBFCL-MGPQQGTHSA-N 1 2 289.335 0.430 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1[nH+]ccn1CC ZINC000491664216 390115693 /nfs/dbraw/zinc/11/56/93/390115693.db2.gz NTJICLZBQXIPNX-NSHDSACASA-N 1 2 262.313 0.447 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000491741256 390116368 /nfs/dbraw/zinc/11/63/68/390116368.db2.gz KTUQLEDQYOMTHD-UHFFFAOYSA-N 1 2 284.319 0.495 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000580273194 390234014 /nfs/dbraw/zinc/23/40/14/390234014.db2.gz CYLTVBLEYJQGSS-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000580273194 390234017 /nfs/dbraw/zinc/23/40/17/390234017.db2.gz CYLTVBLEYJQGSS-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541979474 390256172 /nfs/dbraw/zinc/25/61/72/390256172.db2.gz UORJRBWGOFYOPM-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541979474 390256176 /nfs/dbraw/zinc/25/61/76/390256176.db2.gz UORJRBWGOFYOPM-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nn1 ZINC000583763270 390310390 /nfs/dbraw/zinc/31/03/90/390310390.db2.gz VHPBMXXYSLTTQJ-SNVBAGLBSA-N 1 2 274.328 0.682 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)nn1 ZINC000583763270 390310393 /nfs/dbraw/zinc/31/03/93/390310393.db2.gz VHPBMXXYSLTTQJ-SNVBAGLBSA-N 1 2 274.328 0.682 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000648269035 390350316 /nfs/dbraw/zinc/35/03/16/390350316.db2.gz OJSSXBONQFIESS-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000648269035 390350319 /nfs/dbraw/zinc/35/03/19/390350319.db2.gz OJSSXBONQFIESS-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000645403507 390420547 /nfs/dbraw/zinc/42/05/47/390420547.db2.gz CEDLPVWJDGOHHZ-GHMZBOCLSA-N 1 2 264.329 0.456 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000645403507 390420548 /nfs/dbraw/zinc/42/05/48/390420548.db2.gz CEDLPVWJDGOHHZ-GHMZBOCLSA-N 1 2 264.329 0.456 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000564735996 390496581 /nfs/dbraw/zinc/49/65/81/390496581.db2.gz LNCYASPUMKQRLM-RYUDHWBXSA-N 1 2 283.372 0.972 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000564916759 390498100 /nfs/dbraw/zinc/49/81/00/390498100.db2.gz RKLVDBJTCQGLBP-HZMBPMFUSA-N 1 2 280.372 0.237 20 30 CCEDLO COCc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000565052469 390499632 /nfs/dbraw/zinc/49/96/32/390499632.db2.gz YXRMKRGQJHOSBW-GFCCVEGCSA-N 1 2 282.369 0.863 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000565228722 390500347 /nfs/dbraw/zinc/50/03/47/390500347.db2.gz HSEAXNHSYACVKF-ZJUUUORDSA-N 1 2 264.329 0.882 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc(N)c1OC ZINC000565228722 390500352 /nfs/dbraw/zinc/50/03/52/390500352.db2.gz HSEAXNHSYACVKF-ZJUUUORDSA-N 1 2 264.329 0.882 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000515302522 390474606 /nfs/dbraw/zinc/47/46/06/390474606.db2.gz WYMOMKBCPXKBRZ-PWSUYJOCSA-N 1 2 260.297 0.196 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000649188793 390516520 /nfs/dbraw/zinc/51/65/20/390516520.db2.gz RUSPQARQLKDQMK-LLVKDONJSA-N 1 2 285.307 0.166 20 30 CCEDLO COC(=O)CC1(C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000519651977 390524402 /nfs/dbraw/zinc/52/44/02/390524402.db2.gz RYCJSYYBDCNSCY-UHFFFAOYSA-N 1 2 279.340 0.388 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215750 390526323 /nfs/dbraw/zinc/52/63/23/390526323.db2.gz ANBIUTSCCHUOLX-NEPJUHHUSA-N 1 2 263.341 0.746 20 30 CCEDLO Cn1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C1CC1 ZINC000519824824 390549302 /nfs/dbraw/zinc/54/93/02/390549302.db2.gz OQJWDZCMTLZWHV-AWEZNQCLSA-N 1 2 275.356 0.871 20 30 CCEDLO NC(=O)[C@]1([NH2+]CC#Cc2ccc(Cl)cc2)CCOC1 ZINC000566745564 390644516 /nfs/dbraw/zinc/64/45/16/390644516.db2.gz CANWJZUTOXZVBW-AWEZNQCLSA-N 1 2 278.739 0.926 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(C2CC2)n1 ZINC000570805297 390719290 /nfs/dbraw/zinc/71/92/90/390719290.db2.gz GGSSITYRSWEPNM-CQSZACIVSA-N 1 2 273.340 0.928 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000526057775 390674067 /nfs/dbraw/zinc/67/40/67/390674067.db2.gz CMBYIQGCDUBBQT-RYUDHWBXSA-N 1 2 290.367 0.244 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000526057775 390674072 /nfs/dbraw/zinc/67/40/72/390674072.db2.gz CMBYIQGCDUBBQT-RYUDHWBXSA-N 1 2 290.367 0.244 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCNC(C)=O ZINC000567164725 390676137 /nfs/dbraw/zinc/67/61/37/390676137.db2.gz WJVZZNJXEKPYCK-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000567164725 390676141 /nfs/dbraw/zinc/67/61/41/390676141.db2.gz WJVZZNJXEKPYCK-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)N3CC(O)(CC#N)C3)cc2n1C ZINC000527010789 390688737 /nfs/dbraw/zinc/68/87/37/390688737.db2.gz YLZJLQNCUMFPKT-UHFFFAOYSA-N 1 2 284.319 0.982 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@H]2CSCC[NH2+]2)[nH]c1C#N ZINC000571797305 390754035 /nfs/dbraw/zinc/75/40/35/390754035.db2.gz SRDJKJPQVQCARX-ZETCQYMHSA-N 1 2 276.325 0.187 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000577979183 390857676 /nfs/dbraw/zinc/85/76/76/390857676.db2.gz RGWBOQAZJDAQOU-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000577979183 390857677 /nfs/dbraw/zinc/85/76/77/390857677.db2.gz RGWBOQAZJDAQOU-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C#N)c1 ZINC000530912860 390877745 /nfs/dbraw/zinc/87/77/45/390877745.db2.gz WLLMXYIHLWCNIO-UHFFFAOYSA-N 1 2 287.363 0.891 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CCCCC1 ZINC000573047774 390819836 /nfs/dbraw/zinc/81/98/36/390819836.db2.gz LVQZDPYNSAUVKO-OLZOCXBDSA-N 1 2 295.383 0.004 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CCCCC1 ZINC000573047774 390819841 /nfs/dbraw/zinc/81/98/41/390819841.db2.gz LVQZDPYNSAUVKO-OLZOCXBDSA-N 1 2 295.383 0.004 20 30 CCEDLO C[C@@H](C#N)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000533600333 390885706 /nfs/dbraw/zinc/88/57/06/390885706.db2.gz VQXDRWBZTCUAKB-JQWIXIFHSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@@H](C#N)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000533600333 390885707 /nfs/dbraw/zinc/88/57/07/390885707.db2.gz VQXDRWBZTCUAKB-JQWIXIFHSA-N 1 2 251.330 0.468 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000448706478 533603001 /nfs/dbraw/zinc/60/30/01/533603001.db2.gz GLWIKSXHEVZBJE-SNVBAGLBSA-N 1 2 276.340 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000448706477 533603512 /nfs/dbraw/zinc/60/35/12/533603512.db2.gz GLWIKSXHEVZBJE-JTQLQIEISA-N 1 2 276.340 0.645 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000263785139 131330582 /nfs/dbraw/zinc/33/05/82/131330582.db2.gz WGWQUBXCISSGBL-GFCCVEGCSA-N 1 2 266.341 0.353 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000263785139 131330583 /nfs/dbraw/zinc/33/05/83/131330583.db2.gz WGWQUBXCISSGBL-GFCCVEGCSA-N 1 2 266.341 0.353 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccnn1C ZINC000091936801 135074487 /nfs/dbraw/zinc/07/44/87/135074487.db2.gz MOFNGXPTPLICMY-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccnn1C ZINC000091936801 135074489 /nfs/dbraw/zinc/07/44/89/135074489.db2.gz MOFNGXPTPLICMY-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328973469 397450003 /nfs/dbraw/zinc/45/00/03/397450003.db2.gz PHNAYPIYPUXFCR-CHWSQXEVSA-N 1 2 290.367 0.947 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000368680645 144239398 /nfs/dbraw/zinc/23/93/98/144239398.db2.gz OKLHIOYXJQYRQA-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000368680645 144239399 /nfs/dbraw/zinc/23/93/99/144239399.db2.gz OKLHIOYXJQYRQA-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452091243 286191887 /nfs/dbraw/zinc/19/18/87/286191887.db2.gz VOCBUNHDQPZWPR-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452091243 286191888 /nfs/dbraw/zinc/19/18/88/286191888.db2.gz VOCBUNHDQPZWPR-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653866954 412357769 /nfs/dbraw/zinc/35/77/69/412357769.db2.gz CWCVQZCKAIJXKW-BETUJISGSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653866954 412357773 /nfs/dbraw/zinc/35/77/73/412357773.db2.gz CWCVQZCKAIJXKW-BETUJISGSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCOCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000660345019 414256765 /nfs/dbraw/zinc/25/67/65/414256765.db2.gz KTTHXTNEEBFITL-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000660438156 414320768 /nfs/dbraw/zinc/32/07/68/414320768.db2.gz SHQJWLKGONZMCK-LLVKDONJSA-N 1 2 252.318 0.509 20 30 CCEDLO C=CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660708290 414455105 /nfs/dbraw/zinc/45/51/05/414455105.db2.gz WVVHWOVDGUDGCC-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000660848937 414506883 /nfs/dbraw/zinc/50/68/83/414506883.db2.gz SHWALGIRYUSAPY-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000660848937 414506885 /nfs/dbraw/zinc/50/68/85/414506885.db2.gz SHWALGIRYUSAPY-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661270275 414587500 /nfs/dbraw/zinc/58/75/00/414587500.db2.gz CFKSWEIQVJAUBE-MNOVXSKESA-N 1 2 250.302 0.895 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661270275 414587502 /nfs/dbraw/zinc/58/75/02/414587502.db2.gz CFKSWEIQVJAUBE-MNOVXSKESA-N 1 2 250.302 0.895 20 30 CCEDLO C=CCC1(NC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000662888887 414872221 /nfs/dbraw/zinc/87/22/21/414872221.db2.gz PHTIOFPAPDTHEV-UHFFFAOYSA-N 1 2 265.357 0.423 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664536064 415412022 /nfs/dbraw/zinc/41/20/22/415412022.db2.gz ULUNKUTYIYFDGS-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664536064 415412025 /nfs/dbraw/zinc/41/20/25/415412025.db2.gz ULUNKUTYIYFDGS-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664606281 415431383 /nfs/dbraw/zinc/43/13/83/415431383.db2.gz UVLPZEACXKWQMR-QJPTWQEYSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000664606281 415431390 /nfs/dbraw/zinc/43/13/90/415431390.db2.gz UVLPZEACXKWQMR-QJPTWQEYSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C[C@H](CO)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000664607871 415433635 /nfs/dbraw/zinc/43/36/35/415433635.db2.gz RHWULPHBJNLHSO-SNVBAGLBSA-N 1 2 274.324 0.993 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000665627559 416467493 /nfs/dbraw/zinc/46/74/93/416467493.db2.gz UHUYARLGZBKHNZ-ZDUSSCGKSA-N 1 2 261.325 0.273 20 30 CCEDLO Cn1nccc1C1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC000352551669 227053926 /nfs/dbraw/zinc/05/39/26/227053926.db2.gz ZSGHQZCQEKIRFZ-UHFFFAOYSA-N 1 2 259.313 0.149 20 30 CCEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC000352551669 227053930 /nfs/dbraw/zinc/05/39/30/227053930.db2.gz ZSGHQZCQEKIRFZ-UHFFFAOYSA-N 1 2 259.313 0.149 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(C)(C#N)CC1 ZINC000575195519 335079306 /nfs/dbraw/zinc/07/93/06/335079306.db2.gz LYEUWCXNDVVNJX-UHFFFAOYSA-N 1 2 271.328 0.906 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC000329121006 227309822 /nfs/dbraw/zinc/30/98/22/227309822.db2.gz VYHJFEIVZFVWQI-NXEZZACHSA-N 1 2 255.318 0.783 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC000329121006 227309825 /nfs/dbraw/zinc/30/98/25/227309825.db2.gz VYHJFEIVZFVWQI-NXEZZACHSA-N 1 2 255.318 0.783 20 30 CCEDLO O=C(NC[C@H]1COCCO1)C1([NH+]2CCOCC2)CCC1 ZINC000329447092 227519606 /nfs/dbraw/zinc/51/96/06/227519606.db2.gz LIIAZRFTZDEDHT-LBPRGKRZSA-N 1 2 284.356 0.613 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCCSC1 ZINC000330129477 228045882 /nfs/dbraw/zinc/04/58/82/228045882.db2.gz OJJGZFMNGIYAHE-LLVKDONJSA-N 1 2 273.402 0.718 20 30 CCEDLO Cc1nnsc1C[NH+]=C([O-])N1CCn2cc[nH+]c2C1 ZINC000330204961 228065060 /nfs/dbraw/zinc/06/50/60/228065060.db2.gz CAKDVERYSMEYKE-UHFFFAOYSA-N 1 2 278.341 0.973 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCO ZINC000330280462 228091160 /nfs/dbraw/zinc/09/11/60/228091160.db2.gz SLQNKQJYKFTLOR-RYUDHWBXSA-N 1 2 278.356 0.959 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330280160 228091172 /nfs/dbraw/zinc/09/11/72/228091172.db2.gz SBMXNXZNICVDEH-PSASIEDQSA-N 1 2 295.343 0.322 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330280160 228091173 /nfs/dbraw/zinc/09/11/73/228091173.db2.gz SBMXNXZNICVDEH-PSASIEDQSA-N 1 2 295.343 0.322 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCc1cccnc1 ZINC000330282231 228092311 /nfs/dbraw/zinc/09/23/11/228092311.db2.gz VEWWHYPFPIEOTE-LBPRGKRZSA-N 1 2 289.339 0.452 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCc1cccnc1 ZINC000330282231 228092315 /nfs/dbraw/zinc/09/23/15/228092315.db2.gz VEWWHYPFPIEOTE-LBPRGKRZSA-N 1 2 289.339 0.452 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330310252 228134444 /nfs/dbraw/zinc/13/44/44/228134444.db2.gz UVCCVXZCSNELFB-SCZZXKLOSA-N 1 2 252.318 0.408 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330310252 228134445 /nfs/dbraw/zinc/13/44/45/228134445.db2.gz UVCCVXZCSNELFB-SCZZXKLOSA-N 1 2 252.318 0.408 20 30 CCEDLO N#C[C@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC12CCCC2 ZINC000333582382 228205484 /nfs/dbraw/zinc/20/54/84/228205484.db2.gz RPXUTVQUCJZUKP-CJNGLKHVSA-N 1 2 288.395 0.576 20 30 CCEDLO C[N@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)[C@H]1CCSC1 ZINC000328933555 545020098 /nfs/dbraw/zinc/02/00/98/545020098.db2.gz IQWFHPPODVVTLC-ZETCQYMHSA-N 1 2 271.346 0.404 20 30 CCEDLO C[N@@H+](CC(=O)NCc1n[nH]c(=O)[nH]1)[C@H]1CCSC1 ZINC000328933555 545020100 /nfs/dbraw/zinc/02/01/00/545020100.db2.gz IQWFHPPODVVTLC-ZETCQYMHSA-N 1 2 271.346 0.404 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC(=O)N1C ZINC000329962456 545027882 /nfs/dbraw/zinc/02/78/82/545027882.db2.gz PFMHGQAHTVVZIH-MNOVXSKESA-N 1 2 269.345 0.284 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000049001017 260202766 /nfs/dbraw/zinc/20/27/66/260202766.db2.gz DHUAWZPZBRIMCU-UWVGGRQHSA-N 1 2 254.334 0.701 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000049001017 260202768 /nfs/dbraw/zinc/20/27/68/260202768.db2.gz DHUAWZPZBRIMCU-UWVGGRQHSA-N 1 2 254.334 0.701 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363469422 260277809 /nfs/dbraw/zinc/27/78/09/260277809.db2.gz BTDDOAZCRYDOSB-KGLIPLIRSA-N 1 2 290.367 0.896 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363469422 260277810 /nfs/dbraw/zinc/27/78/10/260277810.db2.gz BTDDOAZCRYDOSB-KGLIPLIRSA-N 1 2 290.367 0.896 20 30 CCEDLO CCOc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000518382789 260393132 /nfs/dbraw/zinc/39/31/32/260393132.db2.gz CRIZJPALDKHNJL-LBPRGKRZSA-N 1 2 266.301 0.647 20 30 CCEDLO CCn1nccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000156420490 261123033 /nfs/dbraw/zinc/12/30/33/261123033.db2.gz NBMDIJSEQMIKLI-UHFFFAOYSA-N 1 2 291.399 0.951 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C=C\C)CC1 ZINC000490617540 261169727 /nfs/dbraw/zinc/16/97/27/261169727.db2.gz QQRCIOFDJALYEW-CUKJDEOPSA-N 1 2 289.379 0.402 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C=C\C)CC1 ZINC000490617540 261169729 /nfs/dbraw/zinc/16/97/29/261169729.db2.gz QQRCIOFDJALYEW-CUKJDEOPSA-N 1 2 289.379 0.402 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000490761956 261203470 /nfs/dbraw/zinc/20/34/70/261203470.db2.gz YIWYMHPCRYBFCN-HUUCEWRRSA-N 1 2 275.396 0.986 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000491241672 261385602 /nfs/dbraw/zinc/38/56/02/261385602.db2.gz KUNNXMSTOHUPHK-GHMZBOCLSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000491241672 261385605 /nfs/dbraw/zinc/38/56/05/261385605.db2.gz KUNNXMSTOHUPHK-GHMZBOCLSA-N 1 2 251.330 0.864 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cccnc1 ZINC000193625638 262225254 /nfs/dbraw/zinc/22/52/54/262225254.db2.gz CTCNBBHZCGGUQR-UHFFFAOYSA-N 1 2 250.302 0.203 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000111340751 262259918 /nfs/dbraw/zinc/25/99/18/262259918.db2.gz PRKSKTRYJGJGJJ-VXGBXAGGSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000111340756 262259941 /nfs/dbraw/zinc/25/99/41/262259941.db2.gz PRKSKTRYJGJGJJ-NEPJUHHUSA-N 1 2 289.401 0.319 20 30 CCEDLO COC1C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000336826863 262398287 /nfs/dbraw/zinc/39/82/87/262398287.db2.gz XHHYPQMEKVSJHY-CYBMUJFWSA-N 1 2 276.336 0.823 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451896671 263000567 /nfs/dbraw/zinc/00/05/67/263000567.db2.gz SGCNUUWAMIHENI-BETUJISGSA-N 1 2 288.413 0.735 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451896671 263000568 /nfs/dbraw/zinc/00/05/68/263000568.db2.gz SGCNUUWAMIHENI-BETUJISGSA-N 1 2 288.413 0.735 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCCc1ccccc1F ZINC000278235047 263045976 /nfs/dbraw/zinc/04/59/76/263045976.db2.gz YOBBJYCIAFZESP-UHFFFAOYSA-N 1 2 281.331 0.989 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283013496 263080407 /nfs/dbraw/zinc/08/04/07/263080407.db2.gz ZUMKWWPOPAKEDO-MNOVXSKESA-N 1 2 285.373 0.197 20 30 CCEDLO CO/N=C/C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000283742949 263083923 /nfs/dbraw/zinc/08/39/23/263083923.db2.gz NHLRLFCUDCIIOS-LBFZPMSMSA-N 1 2 292.339 0.555 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)n(C)n1 ZINC000284499780 263087159 /nfs/dbraw/zinc/08/71/59/263087159.db2.gz SUQZYXVTQOMPHL-SECBINFHSA-N 1 2 281.316 0.135 20 30 CCEDLO NC(=[NH+]OCc1nnnn1-c1ccccc1)[C@H]1CCCO1 ZINC000284549906 263087489 /nfs/dbraw/zinc/08/74/89/263087489.db2.gz VXTHIZLKSXQCKB-LLVKDONJSA-N 1 2 288.311 0.630 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226601 263098337 /nfs/dbraw/zinc/09/83/37/263098337.db2.gz SBRWWZYCENGIAN-GYSYKLTISA-N 1 2 280.372 0.250 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226601 263098338 /nfs/dbraw/zinc/09/83/38/263098338.db2.gz SBRWWZYCENGIAN-GYSYKLTISA-N 1 2 280.372 0.250 20 30 CCEDLO C=CCn1c(C)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000039765416 263280573 /nfs/dbraw/zinc/28/05/73/263280573.db2.gz NNMHSMPCMWPNFF-UHFFFAOYSA-N 1 2 295.412 0.639 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000041830850 263288388 /nfs/dbraw/zinc/28/83/88/263288388.db2.gz VHFIIIKPUGKHTK-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753608 263302728 /nfs/dbraw/zinc/30/27/28/263302728.db2.gz MZJHRYQRHVQYLF-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753608 263302730 /nfs/dbraw/zinc/30/27/30/263302730.db2.gz MZJHRYQRHVQYLF-WDEREUQCSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341328388 263331391 /nfs/dbraw/zinc/33/13/91/263331391.db2.gz HWVFGVOBAWNXCZ-GFCCVEGCSA-N 1 2 290.367 0.994 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC000960506269 649855253 /nfs/dbraw/zinc/85/52/53/649855253.db2.gz YOWFTCHUXKCTTA-YPMHNXCESA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC000960506269 649855255 /nfs/dbraw/zinc/85/52/55/649855255.db2.gz YOWFTCHUXKCTTA-YPMHNXCESA-N 1 2 290.371 0.398 20 30 CCEDLO CCN(CCC#N)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000330697311 264006102 /nfs/dbraw/zinc/00/61/02/264006102.db2.gz FJNXSWPEMJKUOO-UHFFFAOYSA-N 1 2 261.329 0.461 20 30 CCEDLO CCc1noc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000330768630 264033435 /nfs/dbraw/zinc/03/34/35/264033435.db2.gz SQODSWPFBQVLSY-LLVKDONJSA-N 1 2 297.355 0.543 20 30 CCEDLO CN(C)c1nccc(C[NH+]2CCN(CC#N)CC2)n1 ZINC000330804393 264043040 /nfs/dbraw/zinc/04/30/40/264043040.db2.gz KIQGWNANSNVJRR-UHFFFAOYSA-N 1 2 260.345 0.184 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000330943116 264083995 /nfs/dbraw/zinc/08/39/95/264083995.db2.gz HERMVGINNZPFSM-JTQLQIEISA-N 1 2 296.396 0.572 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000330943116 264083998 /nfs/dbraw/zinc/08/39/98/264083998.db2.gz HERMVGINNZPFSM-JTQLQIEISA-N 1 2 296.396 0.572 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330948482 264085970 /nfs/dbraw/zinc/08/59/70/264085970.db2.gz MWICUGUISPTYGK-RISCZKNCSA-N 1 2 295.387 0.249 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330948482 264085973 /nfs/dbraw/zinc/08/59/73/264085973.db2.gz MWICUGUISPTYGK-RISCZKNCSA-N 1 2 295.387 0.249 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000330954795 264087113 /nfs/dbraw/zinc/08/71/13/264087113.db2.gz STEJFTIRVVYHAB-GFCCVEGCSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000330954795 264087115 /nfs/dbraw/zinc/08/71/15/264087115.db2.gz STEJFTIRVVYHAB-GFCCVEGCSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000330964344 264089632 /nfs/dbraw/zinc/08/96/32/264089632.db2.gz CZCVRABSAHLFSM-UHFFFAOYSA-N 1 2 292.339 0.585 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000330969948 264091917 /nfs/dbraw/zinc/09/19/17/264091917.db2.gz MGHDTYDJZBYEIS-SNVBAGLBSA-N 1 2 289.401 0.226 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000330969948 264091920 /nfs/dbraw/zinc/09/19/20/264091920.db2.gz MGHDTYDJZBYEIS-SNVBAGLBSA-N 1 2 289.401 0.226 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330989743 264104563 /nfs/dbraw/zinc/10/45/63/264104563.db2.gz RZRBUWWQCSCDQU-MXWKQRLJSA-N 1 2 295.343 0.810 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330989743 264104566 /nfs/dbraw/zinc/10/45/66/264104566.db2.gz RZRBUWWQCSCDQU-MXWKQRLJSA-N 1 2 295.343 0.810 20 30 CCEDLO C[C@H](O)CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000331253782 264181978 /nfs/dbraw/zinc/18/19/78/264181978.db2.gz VXSONNIVIBAQMZ-ZETCQYMHSA-N 1 2 280.250 0.830 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000331296004 264197703 /nfs/dbraw/zinc/19/77/03/264197703.db2.gz COUFNCDEPGIANA-NSHDSACASA-N 1 2 289.401 0.176 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000331296004 264197704 /nfs/dbraw/zinc/19/77/04/264197704.db2.gz COUFNCDEPGIANA-NSHDSACASA-N 1 2 289.401 0.176 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000334002883 264232569 /nfs/dbraw/zinc/23/25/69/264232569.db2.gz XBEVMNVDBWCCPZ-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000334002883 264232570 /nfs/dbraw/zinc/23/25/70/264232570.db2.gz XBEVMNVDBWCCPZ-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250243001 264255586 /nfs/dbraw/zinc/25/55/86/264255586.db2.gz AAVVRVAHKUFHEZ-ZJUUUORDSA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250243001 264255589 /nfs/dbraw/zinc/25/55/89/264255589.db2.gz AAVVRVAHKUFHEZ-ZJUUUORDSA-N 1 2 254.334 0.702 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425400329 264289814 /nfs/dbraw/zinc/28/98/14/264289814.db2.gz FWQROPYDGVEUAJ-FRRDWIJNSA-N 1 2 280.372 0.699 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000074161793 264307747 /nfs/dbraw/zinc/30/77/47/264307747.db2.gz GMCCUGUCKSKRNG-LBPRGKRZSA-N 1 2 252.362 0.432 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000356157606 266058551 /nfs/dbraw/zinc/05/85/51/266058551.db2.gz CNSDPXCVMYHWIX-ZDUSSCGKSA-N 1 2 268.357 0.295 20 30 CCEDLO CCN1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC1=O ZINC000391575131 266159977 /nfs/dbraw/zinc/15/99/77/266159977.db2.gz XUOJDYLBBHGKPT-MRVPVSSYSA-N 1 2 250.327 0.725 20 30 CCEDLO CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H](C)O ZINC000357561423 266325098 /nfs/dbraw/zinc/32/50/98/266325098.db2.gz GOMVUYWTLZMHFK-ZIAGYGMSSA-N 1 2 297.399 0.468 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357807355 266369817 /nfs/dbraw/zinc/36/98/17/266369817.db2.gz LPEMOLZRZOISPY-NWDGAFQWSA-N 1 2 273.340 0.669 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357807355 266369819 /nfs/dbraw/zinc/36/98/19/266369819.db2.gz LPEMOLZRZOISPY-NWDGAFQWSA-N 1 2 273.340 0.669 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362605165 267020162 /nfs/dbraw/zinc/02/01/62/267020162.db2.gz CELTZVWHKRKHPZ-GFCCVEGCSA-N 1 2 296.415 0.984 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362605165 267020165 /nfs/dbraw/zinc/02/01/65/267020165.db2.gz CELTZVWHKRKHPZ-GFCCVEGCSA-N 1 2 296.415 0.984 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368800771 267206068 /nfs/dbraw/zinc/20/60/68/267206068.db2.gz RUFADEPKEQOSFH-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368800771 267206070 /nfs/dbraw/zinc/20/60/70/267206070.db2.gz RUFADEPKEQOSFH-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C(N)=O)C1=O ZINC000369053522 267219392 /nfs/dbraw/zinc/21/93/92/267219392.db2.gz HFEXYPUEGSRXNK-HUUCEWRRSA-N 1 2 299.374 0.858 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)C1=O ZINC000369053522 267219395 /nfs/dbraw/zinc/21/93/95/267219395.db2.gz HFEXYPUEGSRXNK-HUUCEWRRSA-N 1 2 299.374 0.858 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2nccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000531853749 267883571 /nfs/dbraw/zinc/88/35/71/267883571.db2.gz MPRRXXVRKIRIQZ-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2nccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000531853749 267883574 /nfs/dbraw/zinc/88/35/74/267883574.db2.gz MPRRXXVRKIRIQZ-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288717 277075682 /nfs/dbraw/zinc/07/56/82/277075682.db2.gz TZFDAROWLCJAQB-ZYHUDNBSSA-N 1 2 275.308 0.968 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288717 277075683 /nfs/dbraw/zinc/07/56/83/277075683.db2.gz TZFDAROWLCJAQB-ZYHUDNBSSA-N 1 2 275.308 0.968 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000436413758 277126167 /nfs/dbraw/zinc/12/61/67/277126167.db2.gz USAPVSLQFMDYLW-UHFFFAOYSA-N 1 2 297.362 0.816 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352459148 277419161 /nfs/dbraw/zinc/41/91/61/277419161.db2.gz UPHZALOIUUUTFZ-UHFFFAOYSA-N 1 2 284.335 0.796 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408144379 278306087 /nfs/dbraw/zinc/30/60/87/278306087.db2.gz JSQJZTOJEYURTF-MFKMUULPSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408144379 278306088 /nfs/dbraw/zinc/30/60/88/278306088.db2.gz JSQJZTOJEYURTF-MFKMUULPSA-N 1 2 284.319 0.855 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCOCC3)C[C@@H]21 ZINC000329044181 290087861 /nfs/dbraw/zinc/08/78/61/290087861.db2.gz PFURXBXMGZHEGJ-QWHCGFSZSA-N 1 2 297.399 0.732 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCOCC3)C[C@@H]21 ZINC000329044181 290087864 /nfs/dbraw/zinc/08/78/64/290087864.db2.gz PFURXBXMGZHEGJ-QWHCGFSZSA-N 1 2 297.399 0.732 20 30 CCEDLO O=C(N[C@H]1CCCOC1)N1CCn2cc[nH+]c2C1 ZINC000329701334 295386603 /nfs/dbraw/zinc/38/66/03/295386603.db2.gz HHHNTCORXHAYKE-JTQLQIEISA-N 1 2 250.302 0.792 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329608350 297193586 /nfs/dbraw/zinc/19/35/86/297193586.db2.gz NCPOQIXQHIXLPT-MROQNXINSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329608350 297193587 /nfs/dbraw/zinc/19/35/87/297193587.db2.gz NCPOQIXQHIXLPT-MROQNXINSA-N 1 2 283.372 0.483 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907722 328496029 /nfs/dbraw/zinc/49/60/29/328496029.db2.gz NQZRHYWAGJTHRS-UHFFFAOYSA-N 1 2 266.345 0.704 20 30 CCEDLO N#CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685169 326988742 /nfs/dbraw/zinc/98/87/42/326988742.db2.gz XDNOIPYNVPVZAH-UHFFFAOYSA-N 1 2 264.373 0.530 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000558898092 327130134 /nfs/dbraw/zinc/13/01/34/327130134.db2.gz GTXOADVSLMEVNH-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO C[C@@H](NC(=O)NCC1(C#N)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000559320755 327159065 /nfs/dbraw/zinc/15/90/65/327159065.db2.gz XRIOPAXUHKFTQD-VXGBXAGGSA-N 1 2 280.372 0.699 20 30 CCEDLO CNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000124733628 327387287 /nfs/dbraw/zinc/38/72/87/327387287.db2.gz DXUVLYMFAQRFRX-CQSZACIVSA-N 1 2 272.352 0.615 20 30 CCEDLO CC[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000562309667 327467445 /nfs/dbraw/zinc/46/74/45/327467445.db2.gz MFDCISOGVXQXQT-VIFPVBQESA-N 1 2 256.269 0.694 20 30 CCEDLO Cc1cc(=NC(=O)CCc2c[nH+]cn2C)[nH]n1CCC#N ZINC000527003224 328820725 /nfs/dbraw/zinc/82/07/25/328820725.db2.gz UJCSUAOTOMHHBE-UHFFFAOYSA-N 1 2 286.339 0.832 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CSCC#N ZINC000170863585 329068302 /nfs/dbraw/zinc/06/83/02/329068302.db2.gz IKEVCGGQSLKDNW-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)CSCC#N ZINC000170863585 329068304 /nfs/dbraw/zinc/06/83/04/329068304.db2.gz IKEVCGGQSLKDNW-UHFFFAOYSA-N 1 2 271.386 0.470 20 30 CCEDLO N#CCCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000170886889 329069293 /nfs/dbraw/zinc/06/92/93/329069293.db2.gz SHXMGWPQBSXPOM-UHFFFAOYSA-N 1 2 254.334 0.312 20 30 CCEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000183036218 329246283 /nfs/dbraw/zinc/24/62/83/329246283.db2.gz UNDBFNZCEHONRH-HNNXBMFYSA-N 1 2 294.399 0.772 20 30 CCEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000183036218 329246284 /nfs/dbraw/zinc/24/62/84/329246284.db2.gz UNDBFNZCEHONRH-HNNXBMFYSA-N 1 2 294.399 0.772 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000183789029 329250438 /nfs/dbraw/zinc/25/04/38/329250438.db2.gz REWOFHZXTUKPKT-STQMWFEESA-N 1 2 290.367 0.897 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ncc1C#N ZINC000582889592 329285925 /nfs/dbraw/zinc/28/59/25/329285925.db2.gz MUAMKBUKFYFETQ-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)ncc1C#N ZINC000582889592 329285926 /nfs/dbraw/zinc/28/59/26/329285926.db2.gz MUAMKBUKFYFETQ-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO C=CC[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000321225857 329328650 /nfs/dbraw/zinc/32/86/50/329328650.db2.gz LNRAMFQXKKGQOC-LLVKDONJSA-N 1 2 259.309 0.930 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186699579 329347677 /nfs/dbraw/zinc/34/76/77/329347677.db2.gz RRZZGMUJXHUYCW-HNNXBMFYSA-N 1 2 271.320 0.758 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186699579 329347678 /nfs/dbraw/zinc/34/76/78/329347678.db2.gz RRZZGMUJXHUYCW-HNNXBMFYSA-N 1 2 271.320 0.758 20 30 CCEDLO CC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000583266005 329410607 /nfs/dbraw/zinc/41/06/07/329410607.db2.gz AZIJEBLGWRVCJW-OCCSQVGLSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)CC[NH+]2CCOCC2)nn1 ZINC000424636783 330436052 /nfs/dbraw/zinc/43/60/52/330436052.db2.gz DPDDEEMWWHVUHO-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO C=CCCCCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000159189824 330844695 /nfs/dbraw/zinc/84/46/95/330844695.db2.gz XDTZKDOZMMMJGH-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000450924157 331007409 /nfs/dbraw/zinc/00/74/09/331007409.db2.gz SUWGSLGSLMEMFL-UHFFFAOYSA-N 1 2 275.418 0.813 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451202640 331020489 /nfs/dbraw/zinc/02/04/89/331020489.db2.gz XRQPMVONHOCQNL-KGLIPLIRSA-N 1 2 296.390 0.723 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451202640 331020490 /nfs/dbraw/zinc/02/04/90/331020490.db2.gz XRQPMVONHOCQNL-KGLIPLIRSA-N 1 2 296.390 0.723 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889635 331046275 /nfs/dbraw/zinc/04/62/75/331046275.db2.gz MPRXLTOIYKHBAH-TXEJJXNPSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889635 331046276 /nfs/dbraw/zinc/04/62/76/331046276.db2.gz MPRXLTOIYKHBAH-TXEJJXNPSA-N 1 2 276.402 0.279 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)[N@H+]1CCO ZINC000451891983 331046436 /nfs/dbraw/zinc/04/64/36/331046436.db2.gz PSECCYGXBSYSPU-TXEJJXNPSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)[N@@H+]1CCO ZINC000451891983 331046437 /nfs/dbraw/zinc/04/64/37/331046437.db2.gz PSECCYGXBSYSPU-TXEJJXNPSA-N 1 2 289.401 0.007 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458181360 331244377 /nfs/dbraw/zinc/24/43/77/331244377.db2.gz QNSNDSYIWZSQGB-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458181360 331244378 /nfs/dbraw/zinc/24/43/78/331244378.db2.gz QNSNDSYIWZSQGB-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(CC)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000459071003 331269115 /nfs/dbraw/zinc/26/91/15/331269115.db2.gz GHBMFYHNDCXMLW-UHFFFAOYSA-N 1 2 255.362 0.926 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC000459718250 331295663 /nfs/dbraw/zinc/29/56/63/331295663.db2.gz XJOPBTFBKOCXPG-ZFWWWQNUSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC000459718250 331295664 /nfs/dbraw/zinc/29/56/64/331295664.db2.gz XJOPBTFBKOCXPG-ZFWWWQNUSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCCCS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000489026803 332038446 /nfs/dbraw/zinc/03/84/46/332038446.db2.gz LDUPGAHTXKRCCC-UHFFFAOYSA-N 1 2 276.402 0.594 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@H](C)C(=O)OC)CC1 ZINC000490759263 332112745 /nfs/dbraw/zinc/11/27/45/332112745.db2.gz AKOPLSKAUSRJNE-LBPRGKRZSA-N 1 2 298.408 0.306 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccon2)CC1 ZINC000490939156 332131496 /nfs/dbraw/zinc/13/14/96/332131496.db2.gz ZTOFMKCIVVVHMK-LBPRGKRZSA-N 1 2 276.340 0.103 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C)c1noc(COCC)n1 ZINC000491387060 332202712 /nfs/dbraw/zinc/20/27/12/332202712.db2.gz WWBKHWVEJUQFLP-SNVBAGLBSA-N 1 2 280.328 0.396 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491514535 332226846 /nfs/dbraw/zinc/22/68/46/332226846.db2.gz IOCFMFJKOPLEBA-SNVBAGLBSA-N 1 2 270.292 0.753 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000491538205 332232980 /nfs/dbraw/zinc/23/29/80/332232980.db2.gz XKNBOTZKPLDMBK-KBPBESRZSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000491538205 332232981 /nfs/dbraw/zinc/23/29/81/332232981.db2.gz XKNBOTZKPLDMBK-KBPBESRZSA-N 1 2 291.395 0.316 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491659174 332269907 /nfs/dbraw/zinc/26/99/07/332269907.db2.gz KWKZGIQJXQQXCD-ZDUSSCGKSA-N 1 2 269.304 0.737 20 30 CCEDLO C#CCNC(=O)c1ccc(NCCc2cn(C)c[nH+]2)nc1 ZINC000491746049 332323841 /nfs/dbraw/zinc/32/38/41/332323841.db2.gz ZKRNMRCMGFNHRG-UHFFFAOYSA-N 1 2 283.335 0.255 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000491750864 332327178 /nfs/dbraw/zinc/32/71/78/332327178.db2.gz VRSQSGWMYIXLOQ-ZDUSSCGKSA-N 1 2 268.357 0.692 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491761338 332331897 /nfs/dbraw/zinc/33/18/97/332331897.db2.gz VNAUSPIGQKMOLV-RWMBFGLXSA-N 1 2 267.373 0.759 20 30 CCEDLO C#CCN(CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491768058 332335736 /nfs/dbraw/zinc/33/57/36/332335736.db2.gz JZXKPEBGLPMDIK-UHFFFAOYSA-N 1 2 265.357 0.516 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000491810720 332363280 /nfs/dbraw/zinc/36/32/80/332363280.db2.gz AHXKEXGZQWRWOB-GXFFZTMASA-N 1 2 252.289 0.571 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000491810720 332363282 /nfs/dbraw/zinc/36/32/82/332363282.db2.gz AHXKEXGZQWRWOB-GXFFZTMASA-N 1 2 252.289 0.571 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)COC ZINC000492408281 332396051 /nfs/dbraw/zinc/39/60/51/332396051.db2.gz MVGJADCANPGZSW-GFUIURDCSA-N 1 2 262.313 0.961 20 30 CCEDLO C[C@H](C#N)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000521831195 333192054 /nfs/dbraw/zinc/19/20/54/333192054.db2.gz UYUDRAQJEFQESP-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCC#N ZINC000195166858 333247158 /nfs/dbraw/zinc/24/71/58/333247158.db2.gz LFQCMPGPMMTWFY-UHFFFAOYSA-N 1 2 296.396 0.318 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193325578 333248140 /nfs/dbraw/zinc/24/81/40/333248140.db2.gz VEDOEHATSARHKC-MNOVXSKESA-N 1 2 271.324 0.518 20 30 CCEDLO C[N@H+](CCN1CCCC1=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000522163417 333254231 /nfs/dbraw/zinc/25/42/31/333254231.db2.gz HPGFCQBASNZRRP-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000522163417 333254233 /nfs/dbraw/zinc/25/42/33/333254233.db2.gz HPGFCQBASNZRRP-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000576013950 335141549 /nfs/dbraw/zinc/14/15/49/335141549.db2.gz KILYQJORTMUVEK-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000576013950 335141550 /nfs/dbraw/zinc/14/15/50/335141550.db2.gz KILYQJORTMUVEK-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO C#CCN(Cc1[nH+]ccn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000066538712 333625305 /nfs/dbraw/zinc/62/53/05/333625305.db2.gz YJMAJQLSAJQHSV-GFCCVEGCSA-N 1 2 281.381 0.525 20 30 CCEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)NC2(C#N)CCC2)n1 ZINC000551418266 334249919 /nfs/dbraw/zinc/24/99/19/334249919.db2.gz MCFWHBXVAFRLKQ-UHFFFAOYSA-N 1 2 277.328 0.765 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248485723 334303961 /nfs/dbraw/zinc/30/39/61/334303961.db2.gz KULFNYZSPPBRLV-RGIROJJOSA-N 1 2 287.429 0.740 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248485723 334303962 /nfs/dbraw/zinc/30/39/62/334303962.db2.gz KULFNYZSPPBRLV-RGIROJJOSA-N 1 2 287.429 0.740 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000248978178 334323569 /nfs/dbraw/zinc/32/35/69/334323569.db2.gz IDAQGAZDUYNOTF-CWTRNNRKSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000248978178 334323570 /nfs/dbraw/zinc/32/35/70/334323570.db2.gz IDAQGAZDUYNOTF-CWTRNNRKSA-N 1 2 284.425 0.747 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000565605815 334578933 /nfs/dbraw/zinc/57/89/33/334578933.db2.gz AVQLKERYXCDAGP-AWEZNQCLSA-N 1 2 281.356 0.587 20 30 CCEDLO CC[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000567052782 334676998 /nfs/dbraw/zinc/67/69/98/334676998.db2.gz JKSKVGWKZQBJPZ-NQBHXWOUSA-N 1 2 253.346 0.904 20 30 CCEDLO COC(=O)c1coc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000576884269 335260103 /nfs/dbraw/zinc/26/01/03/335260103.db2.gz NMODVBFSUQKTAJ-CYBMUJFWSA-N 1 2 279.296 0.640 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000577646812 335385517 /nfs/dbraw/zinc/38/55/17/335385517.db2.gz XPGWLPZMLBAGRR-UHFFFAOYSA-N 1 2 299.378 0.373 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000581640014 336115922 /nfs/dbraw/zinc/11/59/22/336115922.db2.gz UIKBKVGDMZJHOG-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000181270638 520469380 /nfs/dbraw/zinc/46/93/80/520469380.db2.gz IEVWXLOUPKAGLU-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000181270638 520469396 /nfs/dbraw/zinc/46/93/96/520469396.db2.gz IEVWXLOUPKAGLU-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000665945175 545110337 /nfs/dbraw/zinc/11/03/37/545110337.db2.gz FRPYJLQEFSYCGM-UHFFFAOYSA-N 1 2 277.372 0.823 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)o1 ZINC000372740808 526613486 /nfs/dbraw/zinc/61/34/86/526613486.db2.gz NCOUTGCPVAVXTK-NSHDSACASA-N 1 2 269.326 0.404 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)o1 ZINC000372740808 526613490 /nfs/dbraw/zinc/61/34/90/526613490.db2.gz NCOUTGCPVAVXTK-NSHDSACASA-N 1 2 269.326 0.404 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666449304 545122946 /nfs/dbraw/zinc/12/29/46/545122946.db2.gz BCJWRRQSCKWIGM-DGCLKSJQSA-N 1 2 278.356 0.859 20 30 CCEDLO CC(C)(CNC(=O)c1ccc(C#N)o1)[NH+]1CCOCC1 ZINC000427988284 527162800 /nfs/dbraw/zinc/16/28/00/527162800.db2.gz DIKAPPQHWBGTHV-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000032539819 527926223 /nfs/dbraw/zinc/92/62/23/527926223.db2.gz NWCZFNOKPOWXHT-AWEZNQCLSA-N 1 2 277.372 0.906 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000032539819 527926232 /nfs/dbraw/zinc/92/62/32/527926232.db2.gz NWCZFNOKPOWXHT-AWEZNQCLSA-N 1 2 277.372 0.906 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000669697150 545219772 /nfs/dbraw/zinc/21/97/72/545219772.db2.gz OAVFZDKTQVZJIB-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000669697150 545219773 /nfs/dbraw/zinc/21/97/73/545219773.db2.gz OAVFZDKTQVZJIB-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO CCN1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191542668 535518382 /nfs/dbraw/zinc/51/83/82/535518382.db2.gz FAUKGVITFNBHMP-UHFFFAOYSA-N 1 2 260.341 0.951 20 30 CCEDLO CCN1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191542668 535518388 /nfs/dbraw/zinc/51/83/88/535518388.db2.gz FAUKGVITFNBHMP-UHFFFAOYSA-N 1 2 260.341 0.951 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676989627 545356101 /nfs/dbraw/zinc/35/61/01/545356101.db2.gz JIKLZFBEDZMVSW-SNVBAGLBSA-N 1 2 250.302 0.340 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676989627 545356102 /nfs/dbraw/zinc/35/61/02/545356102.db2.gz JIKLZFBEDZMVSW-SNVBAGLBSA-N 1 2 250.302 0.340 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nccs2)CC1 ZINC000677132902 545358271 /nfs/dbraw/zinc/35/82/71/545358271.db2.gz YOIYIQHIGMOTGZ-UHFFFAOYSA-N 1 2 251.355 0.915 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477801 545366130 /nfs/dbraw/zinc/36/61/30/545366130.db2.gz YESWEIXEWFOPOI-SNVBAGLBSA-N 1 2 253.302 0.790 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477801 545366131 /nfs/dbraw/zinc/36/61/31/545366131.db2.gz YESWEIXEWFOPOI-SNVBAGLBSA-N 1 2 253.302 0.790 20 30 CCEDLO CCCC[N@H+](CC#CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677478713 545366218 /nfs/dbraw/zinc/36/62/18/545366218.db2.gz CYNVNKVWLVFMES-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO CCCC[N@@H+](CC#CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677478713 545366219 /nfs/dbraw/zinc/36/62/19/545366219.db2.gz CYNVNKVWLVFMES-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000680636536 545434243 /nfs/dbraw/zinc/43/42/43/545434243.db2.gz KOGHPXYXMNFSJB-AWEZNQCLSA-N 1 2 275.352 0.776 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCC)C(=O)C1 ZINC000788268646 581102742 /nfs/dbraw/zinc/10/27/42/581102742.db2.gz IBDVZXVVQOZXAA-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCC)C(=O)C1 ZINC000788268646 581102743 /nfs/dbraw/zinc/10/27/43/581102743.db2.gz IBDVZXVVQOZXAA-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519222 581150719 /nfs/dbraw/zinc/15/07/19/581150719.db2.gz YUOAPCNGDTUWCA-OAHLLOKOSA-N 1 2 299.374 0.469 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519222 581150720 /nfs/dbraw/zinc/15/07/20/581150720.db2.gz YUOAPCNGDTUWCA-OAHLLOKOSA-N 1 2 299.374 0.469 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000780887478 581248125 /nfs/dbraw/zinc/24/81/25/581248125.db2.gz QIFBXZIUDXKMEW-ZDUSSCGKSA-N 1 2 270.292 0.605 20 30 CCEDLO CO[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1OC ZINC000792709343 581268922 /nfs/dbraw/zinc/26/89/22/581268922.db2.gz GSOUJMZDWNJUTC-TXEJJXNPSA-N 1 2 263.297 0.023 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1OC ZINC000792709343 581268923 /nfs/dbraw/zinc/26/89/23/581268923.db2.gz GSOUJMZDWNJUTC-TXEJJXNPSA-N 1 2 263.297 0.023 20 30 CCEDLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781572190 581271991 /nfs/dbraw/zinc/27/19/91/581271991.db2.gz NXRFLHAUMPODHU-CQSZACIVSA-N 1 2 294.355 0.526 20 30 CCEDLO COC(C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)OC ZINC000781905296 581280171 /nfs/dbraw/zinc/28/01/71/581280171.db2.gz YQMUBYITFVSUIY-LBPRGKRZSA-N 1 2 255.362 0.771 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC000793493370 581300796 /nfs/dbraw/zinc/30/07/96/581300796.db2.gz NOUNFNFNVQPJJU-LLVKDONJSA-N 1 2 291.317 0.646 20 30 CCEDLO Cn1cc[nH+]c1CN=Nc1ncnc2c1cnn2C ZINC000727255221 581314300 /nfs/dbraw/zinc/31/43/00/581314300.db2.gz LMRVJDLHYFZKKI-UHFFFAOYSA-N 1 2 256.273 0.543 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000794397194 581367281 /nfs/dbraw/zinc/36/72/81/581367281.db2.gz ASZRPEDGBGLBDQ-CABZTGNLSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000794397194 581367283 /nfs/dbraw/zinc/36/72/83/581367283.db2.gz ASZRPEDGBGLBDQ-CABZTGNLSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@H](C#N)CN(C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979888 581370136 /nfs/dbraw/zinc/37/01/36/581370136.db2.gz ZKXUMFAZMYWHIW-NEPJUHHUSA-N 1 2 275.356 0.785 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000784395028 581383157 /nfs/dbraw/zinc/38/31/57/581383157.db2.gz RQMDIDVLNSZJLO-CQSZACIVSA-N 1 2 297.374 0.264 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000784395028 581383158 /nfs/dbraw/zinc/38/31/58/581383158.db2.gz RQMDIDVLNSZJLO-CQSZACIVSA-N 1 2 297.374 0.264 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@@](F)(C#N)C2)C1 ZINC000786108396 581431126 /nfs/dbraw/zinc/43/11/26/581431126.db2.gz QJLKDMBVYYWXCK-BXUZGUMPSA-N 1 2 291.330 0.631 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1C1CC1 ZINC000786959331 581454575 /nfs/dbraw/zinc/45/45/75/581454575.db2.gz KIYMJLSRWNVLAN-OCCSQVGLSA-N 1 2 299.378 0.644 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)nc1 ZINC000728862835 581513271 /nfs/dbraw/zinc/51/32/71/581513271.db2.gz NQIMHISJCFUPHJ-UHFFFAOYSA-N 1 2 255.321 0.983 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767563351 581618683 /nfs/dbraw/zinc/61/86/83/581618683.db2.gz AYFURFFKOZSUNI-BETUJISGSA-N 1 2 289.335 0.917 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767563351 581618685 /nfs/dbraw/zinc/61/86/85/581618685.db2.gz AYFURFFKOZSUNI-BETUJISGSA-N 1 2 289.335 0.917 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000739826420 581625220 /nfs/dbraw/zinc/62/52/20/581625220.db2.gz SWYLXCQRYJOWMG-LBPRGKRZSA-N 1 2 250.367 0.567 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000739826420 581625221 /nfs/dbraw/zinc/62/52/21/581625221.db2.gz SWYLXCQRYJOWMG-LBPRGKRZSA-N 1 2 250.367 0.567 20 30 CCEDLO C#CCOCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000755444558 581640529 /nfs/dbraw/zinc/64/05/29/581640529.db2.gz WXPCBUYAUWMKMO-UHFFFAOYSA-N 1 2 276.336 0.964 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c1=S ZINC000755926590 581649474 /nfs/dbraw/zinc/64/94/74/581649474.db2.gz SWXPXPUTBJOSNQ-NXEZZACHSA-N 1 2 297.384 0.693 20 30 CCEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c1=S ZINC000755926590 581649477 /nfs/dbraw/zinc/64/94/77/581649477.db2.gz SWXPXPUTBJOSNQ-NXEZZACHSA-N 1 2 297.384 0.693 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000756969446 581687454 /nfs/dbraw/zinc/68/74/54/581687454.db2.gz QTGQSHCCYAOUGE-NSHDSACASA-N 1 2 260.297 0.150 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000756969446 581687457 /nfs/dbraw/zinc/68/74/57/581687457.db2.gz QTGQSHCCYAOUGE-NSHDSACASA-N 1 2 260.297 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C)CC ZINC000730283102 581690961 /nfs/dbraw/zinc/69/09/61/581690961.db2.gz OXBLNHJADRJASW-AGIUHOORSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C)CC ZINC000730283102 581690963 /nfs/dbraw/zinc/69/09/63/581690963.db2.gz OXBLNHJADRJASW-AGIUHOORSA-N 1 2 279.384 0.503 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000757920098 581714307 /nfs/dbraw/zinc/71/43/07/581714307.db2.gz HXPMUZYRIFFZAR-UHFFFAOYSA-N 1 2 274.368 0.868 20 30 CCEDLO C#C[C@H](C)N(C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)C#C ZINC000769961596 581718040 /nfs/dbraw/zinc/71/80/40/581718040.db2.gz RUUMBDHATLCBTA-KBPBESRZSA-N 1 2 284.425 0.308 20 30 CCEDLO C#C[C@H](C)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)C#C ZINC000769961596 581718044 /nfs/dbraw/zinc/71/80/44/581718044.db2.gz RUUMBDHATLCBTA-KBPBESRZSA-N 1 2 284.425 0.308 20 30 CCEDLO COC(=O)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758197324 581726101 /nfs/dbraw/zinc/72/61/01/581726101.db2.gz HUHBPXKPTPBMOC-UHFFFAOYSA-N 1 2 289.335 0.953 20 30 CCEDLO C#CCNC(=S)NCc1ccc[nH+]c1N1CCOCC1 ZINC000758194134 581726357 /nfs/dbraw/zinc/72/63/57/581726357.db2.gz KBDZUUROCUVETM-UHFFFAOYSA-N 1 2 290.392 0.516 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000759439307 581799045 /nfs/dbraw/zinc/79/90/45/581799045.db2.gz ZWWMQQBSJJLOIL-IUCAKERBSA-N 1 2 289.261 0.506 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772064864 581841402 /nfs/dbraw/zinc/84/14/02/581841402.db2.gz ZDLBZSLOLUXPID-WDEREUQCSA-N 1 2 286.397 0.658 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772064864 581841405 /nfs/dbraw/zinc/84/14/05/581841405.db2.gz ZDLBZSLOLUXPID-WDEREUQCSA-N 1 2 286.397 0.658 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)n(C)n1 ZINC000772559581 581878713 /nfs/dbraw/zinc/87/87/13/581878713.db2.gz JQLPHBORJLOVTB-JTQLQIEISA-N 1 2 262.313 0.465 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)n(C)n1 ZINC000772559581 581878714 /nfs/dbraw/zinc/87/87/14/581878714.db2.gz JQLPHBORJLOVTB-JTQLQIEISA-N 1 2 262.313 0.465 20 30 CCEDLO N#C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C1CC1 ZINC000746246786 581904753 /nfs/dbraw/zinc/90/47/53/581904753.db2.gz HGFUMVOCGOZTDC-GFCCVEGCSA-N 1 2 259.313 0.082 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000773187679 581913559 /nfs/dbraw/zinc/91/35/59/581913559.db2.gz USKMNQVLFJPLPS-HZSPNIEDSA-N 1 2 295.383 0.187 20 30 CCEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)N1CCCC1)[C@H]1CCSC1 ZINC000773967469 581949867 /nfs/dbraw/zinc/94/98/67/581949867.db2.gz MIZFPOUICQEWTC-RYUDHWBXSA-N 1 2 295.408 0.755 20 30 CCEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)N1CCCC1)[C@H]1CCSC1 ZINC000773967469 581949871 /nfs/dbraw/zinc/94/98/71/581949871.db2.gz MIZFPOUICQEWTC-RYUDHWBXSA-N 1 2 295.408 0.755 20 30 CCEDLO CC(C)(CNN=C1CC[N@@H+]2CCC[C@H]12)S(C)(=O)=O ZINC000774486154 581975989 /nfs/dbraw/zinc/97/59/89/581975989.db2.gz WMFCOVXSOYEBLS-LLVKDONJSA-N 1 2 273.402 0.623 20 30 CCEDLO CC(C)(CNN=C1CC[N@H+]2CCC[C@H]12)S(C)(=O)=O ZINC000774486154 581975992 /nfs/dbraw/zinc/97/59/92/581975992.db2.gz WMFCOVXSOYEBLS-LLVKDONJSA-N 1 2 273.402 0.623 20 30 CCEDLO C=CCn1nnn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000749968166 582028254 /nfs/dbraw/zinc/02/82/54/582028254.db2.gz VMGZAEYDGLYYGY-SNVBAGLBSA-N 1 2 269.374 0.921 20 30 CCEDLO C=CCn1nnn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000749968166 582028256 /nfs/dbraw/zinc/02/82/56/582028256.db2.gz VMGZAEYDGLYYGY-SNVBAGLBSA-N 1 2 269.374 0.921 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(=O)c1C#N ZINC000776774601 582090598 /nfs/dbraw/zinc/09/05/98/582090598.db2.gz CZIJOHYPZFEBEA-GFCCVEGCSA-N 1 2 284.323 0.524 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@@H](n3cncn3)C2)c(=O)c1C#N ZINC000776774601 582090600 /nfs/dbraw/zinc/09/06/00/582090600.db2.gz CZIJOHYPZFEBEA-GFCCVEGCSA-N 1 2 284.323 0.524 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nnn(C)c2C)C1 ZINC000949822277 612993210 /nfs/dbraw/zinc/99/32/10/612993210.db2.gz DSBANZHNMGTZRS-UHFFFAOYSA-N 1 2 275.356 0.293 20 30 CCEDLO C#CCSCC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000901316954 613010131 /nfs/dbraw/zinc/01/01/31/613010131.db2.gz DJGIMEDXFQSOSF-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000901316954 613010133 /nfs/dbraw/zinc/01/01/33/613010133.db2.gz DJGIMEDXFQSOSF-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000896790964 613010138 /nfs/dbraw/zinc/01/01/38/613010138.db2.gz HCERPCIMMHSSNL-UHFFFAOYSA-N 1 2 284.425 0.922 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC000843780750 613010713 /nfs/dbraw/zinc/01/07/13/613010713.db2.gz JHOJZURPMYNBEY-UHFFFAOYSA-N 1 2 260.341 0.684 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000898666047 613012126 /nfs/dbraw/zinc/01/21/26/613012126.db2.gz MYFBRBWOKGKWTN-VXGBXAGGSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000898666047 613012127 /nfs/dbraw/zinc/01/21/27/613012127.db2.gz MYFBRBWOKGKWTN-VXGBXAGGSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000853774756 613016945 /nfs/dbraw/zinc/01/69/45/613016945.db2.gz NJPYLQBZECXNNY-STQMWFEESA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000853774756 613016947 /nfs/dbraw/zinc/01/69/47/613016947.db2.gz NJPYLQBZECXNNY-STQMWFEESA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000153661548 613017312 /nfs/dbraw/zinc/01/73/12/613017312.db2.gz PPMPRHCYKSMEAV-LBPRGKRZSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932364119 612950381 /nfs/dbraw/zinc/95/03/81/612950381.db2.gz NCWUKKBUGYNJSR-CMPLNLGQSA-N 1 2 258.325 0.655 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000931145818 612953016 /nfs/dbraw/zinc/95/30/16/612953016.db2.gz GABQVILNSCIFBO-SNVBAGLBSA-N 1 2 290.371 0.041 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1CCOC[C@@H]1CC ZINC000871688921 612953561 /nfs/dbraw/zinc/95/35/61/612953561.db2.gz UPXGUJPRWRBDBD-NSHDSACASA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000871688921 612953562 /nfs/dbraw/zinc/95/35/62/612953562.db2.gz UPXGUJPRWRBDBD-NSHDSACASA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000859078589 613049106 /nfs/dbraw/zinc/04/91/06/613049106.db2.gz CNVKFQWHDBCVPB-GFCCVEGCSA-N 1 2 252.314 0.553 20 30 CCEDLO C#CC[C@H](COC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913348222 613059506 /nfs/dbraw/zinc/05/95/06/613059506.db2.gz JKDUEEGXDRCDNI-JWAFFJSPSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000893697228 612955961 /nfs/dbraw/zinc/95/59/61/612955961.db2.gz QSRVWOVXLRZNAF-UHFFFAOYSA-N 1 2 270.292 0.224 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858235801 613064724 /nfs/dbraw/zinc/06/47/24/613064724.db2.gz RRWYQEFYGIHNAY-HZSPNIEDSA-N 1 2 297.399 0.433 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892599614 613101591 /nfs/dbraw/zinc/10/15/91/613101591.db2.gz MCCZZDLNWGTNJE-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892599614 613101593 /nfs/dbraw/zinc/10/15/93/613101593.db2.gz MCCZZDLNWGTNJE-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3nn[nH]n3)cc2F)N1 ZINC000825006907 609519768 /nfs/dbraw/zinc/51/97/68/609519768.db2.gz SEJYGEIMRIZQCX-SSDOTTSWSA-N 1 2 288.290 0.277 20 30 CCEDLO C#CCCCCCC[NH+]1CC(O)(c2ncnn2C)C1 ZINC000895618783 612976455 /nfs/dbraw/zinc/97/64/55/612976455.db2.gz MOIXLRNUKVZOEM-UHFFFAOYSA-N 1 2 262.357 0.902 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963629 612967821 /nfs/dbraw/zinc/96/78/21/612967821.db2.gz XBXFNIZIDOGDNR-ZDUSSCGKSA-N 1 2 255.321 0.977 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC1 ZINC000915830796 612969058 /nfs/dbraw/zinc/96/90/58/612969058.db2.gz WUDORQWITSJODL-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC1 ZINC000915830796 612969060 /nfs/dbraw/zinc/96/90/60/612969060.db2.gz WUDORQWITSJODL-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)N(C)c2nccs2)CC1 ZINC000880478787 612973256 /nfs/dbraw/zinc/97/32/56/612973256.db2.gz FZFMQIAFXROKEA-UHFFFAOYSA-N 1 2 293.392 0.956 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000853619944 612988947 /nfs/dbraw/zinc/98/89/47/612988947.db2.gz OEJCIQKMGNGLRM-HNNXBMFYSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000853619944 612988948 /nfs/dbraw/zinc/98/89/48/612988948.db2.gz OEJCIQKMGNGLRM-HNNXBMFYSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000950543520 612991505 /nfs/dbraw/zinc/99/15/05/612991505.db2.gz CQOWNJGQQVQCMI-JSGCOSHPSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)n[nH]2)C1 ZINC000949726202 612991724 /nfs/dbraw/zinc/99/17/24/612991724.db2.gz AZCCJKBQAWDJLG-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)[nH]n2)C1 ZINC000949726202 612991725 /nfs/dbraw/zinc/99/17/25/612991725.db2.gz AZCCJKBQAWDJLG-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC000950336427 612991808 /nfs/dbraw/zinc/99/18/08/612991808.db2.gz NCGTUKNSROGEHX-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC000950835923 612993320 /nfs/dbraw/zinc/99/33/20/612993320.db2.gz MNVOOKBNGLEARY-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000823234149 612995049 /nfs/dbraw/zinc/99/50/49/612995049.db2.gz WEIIUDLNTJJRTM-ZDUSSCGKSA-N 1 2 268.357 0.205 20 30 CCEDLO C#CCC[N@H+]1CCCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC000981879638 613006242 /nfs/dbraw/zinc/00/62/42/613006242.db2.gz IFBMSCARYHONPI-UHFFFAOYSA-N 1 2 276.340 0.297 20 30 CCEDLO C#CCC[N@@H+]1CCCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC000981879638 613006244 /nfs/dbraw/zinc/00/62/44/613006244.db2.gz IFBMSCARYHONPI-UHFFFAOYSA-N 1 2 276.340 0.297 20 30 CCEDLO C#CCSCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000891690129 613008657 /nfs/dbraw/zinc/00/86/57/613008657.db2.gz WLPZQEXCUIHGAW-UHFFFAOYSA-N 1 2 284.425 0.922 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC000948649345 613010655 /nfs/dbraw/zinc/01/06/55/613010655.db2.gz LCFYHIXLDMFDOT-UHFFFAOYSA-N 1 2 284.323 0.134 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC000814107147 613011279 /nfs/dbraw/zinc/01/12/79/613011279.db2.gz WYHFXNLKGXAUNH-UHFFFAOYSA-N 1 2 275.356 0.640 20 30 CCEDLO C#CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805113084 613047318 /nfs/dbraw/zinc/04/73/18/613047318.db2.gz STLCQLGHDNMMNG-STQMWFEESA-N 1 2 265.357 0.514 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875913027 613051674 /nfs/dbraw/zinc/05/16/74/613051674.db2.gz KDWOFEIMACZSMK-VXGBXAGGSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@H](CCOC)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000858334846 613052567 /nfs/dbraw/zinc/05/25/67/613052567.db2.gz SHMFPKZSZXIJKZ-LLVKDONJSA-N 1 2 265.361 0.946 20 30 CCEDLO C#CC[C@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823053250 613053678 /nfs/dbraw/zinc/05/36/78/613053678.db2.gz NGKJHFUUBOVOTJ-ZJUUUORDSA-N 1 2 289.257 0.877 20 30 CCEDLO C#CC[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000854546622 613053767 /nfs/dbraw/zinc/05/37/67/613053767.db2.gz JGXJTDWDJRCZHL-GFCCVEGCSA-N 1 2 271.320 0.686 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000914153391 613054152 /nfs/dbraw/zinc/05/41/52/613054152.db2.gz ACUAYRFWNWVBKB-GFCCVEGCSA-N 1 2 276.340 0.567 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000823052259 613056961 /nfs/dbraw/zinc/05/69/61/613056961.db2.gz CRMRVHKWBIEQMD-OLZOCXBDSA-N 1 2 263.341 0.971 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000798419215 613059777 /nfs/dbraw/zinc/05/97/77/613059777.db2.gz DFHUPSIUTNSKNW-GFCCVEGCSA-N 1 2 276.340 0.499 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000798419215 613059778 /nfs/dbraw/zinc/05/97/78/613059778.db2.gz DFHUPSIUTNSKNW-GFCCVEGCSA-N 1 2 276.340 0.499 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OC ZINC000839169669 613070821 /nfs/dbraw/zinc/07/08/21/613070821.db2.gz UWSNTNZLANKARG-MCIGGMRASA-N 1 2 267.325 0.873 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000854077805 613083670 /nfs/dbraw/zinc/08/36/70/613083670.db2.gz BPGKSIGGNYWORV-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)C ZINC000868022053 613090801 /nfs/dbraw/zinc/09/08/01/613090801.db2.gz WBICLGWTZUUSLS-URWSZGRFSA-N 1 2 250.342 0.649 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000972719598 613093105 /nfs/dbraw/zinc/09/31/05/613093105.db2.gz XEDCYNPPCWFXOT-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000972719598 613093106 /nfs/dbraw/zinc/09/31/06/613093106.db2.gz XEDCYNPPCWFXOT-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000972719598 613093107 /nfs/dbraw/zinc/09/31/07/613093107.db2.gz XEDCYNPPCWFXOT-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000972719598 613093108 /nfs/dbraw/zinc/09/31/08/613093108.db2.gz XEDCYNPPCWFXOT-RYUDHWBXSA-N 1 2 287.367 0.076 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000812020450 613095702 /nfs/dbraw/zinc/09/57/02/613095702.db2.gz BPOWECMAFUJJGL-QWHCGFSZSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000812020450 613095703 /nfs/dbraw/zinc/09/57/03/613095703.db2.gz BPOWECMAFUJJGL-QWHCGFSZSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CC[N@H+](C1CSC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000878913939 613098421 /nfs/dbraw/zinc/09/84/21/613098421.db2.gz HHEXPTCVBQYUBY-CQSZACIVSA-N 1 2 294.420 0.817 20 30 CCEDLO C#CC[N@@H+](C1CSC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000878913939 613098422 /nfs/dbraw/zinc/09/84/22/613098422.db2.gz HHEXPTCVBQYUBY-CQSZACIVSA-N 1 2 294.420 0.817 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(CF)CCC3)CC2)C1 ZINC000941571671 613114573 /nfs/dbraw/zinc/11/45/73/613114573.db2.gz DJSSCMYBANUXNG-UHFFFAOYSA-N 1 2 293.386 0.588 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC(C)(C)C3)CC2)C1 ZINC000941400189 613114789 /nfs/dbraw/zinc/11/47/89/613114789.db2.gz PESRSKGEPPPINJ-UHFFFAOYSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1 ZINC000941306312 613114930 /nfs/dbraw/zinc/11/49/30/613114930.db2.gz NRPBDVXXRWQFEF-OAHLLOKOSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000941280196 613115461 /nfs/dbraw/zinc/11/54/61/613115461.db2.gz HPRRKWWXNBXTJU-UHFFFAOYSA-N 1 2 284.363 0.157 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000941288478 613115601 /nfs/dbraw/zinc/11/56/01/613115601.db2.gz QVQIZWZHSJXZPS-UHFFFAOYSA-N 1 2 283.375 0.762 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC000941363202 613115670 /nfs/dbraw/zinc/11/56/70/613115670.db2.gz PGZCUCUGKWTPQR-CYBMUJFWSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)C1 ZINC000941391595 613115805 /nfs/dbraw/zinc/11/58/05/613115805.db2.gz AEGPVXJMCSAINV-STQMWFEESA-N 1 2 297.349 0.349 20 30 CCEDLO C#C[C@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907491279 613118637 /nfs/dbraw/zinc/11/86/37/613118637.db2.gz JVKCYXYAKHFKLX-ZDUSSCGKSA-N 1 2 275.352 0.572 20 30 CCEDLO C#C[C@H](CO)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000854775461 613125964 /nfs/dbraw/zinc/12/59/64/613125964.db2.gz LOLABEPTCLXYQI-SECBINFHSA-N 1 2 293.273 0.733 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000854770604 613128302 /nfs/dbraw/zinc/12/83/02/613128302.db2.gz KKCBQAUZOPSIDP-KGLIPLIRSA-N 1 2 282.384 0.234 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCO1 ZINC000832417367 613146445 /nfs/dbraw/zinc/14/64/45/613146445.db2.gz FYWNSUFHNGMLGP-NRWUCQMLSA-N 1 2 273.336 0.821 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000847309973 613157915 /nfs/dbraw/zinc/15/79/15/613157915.db2.gz GZYOYIIRGLRBQO-CABCVRRESA-N 1 2 292.427 0.677 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)NCc1cnc(C)s1 ZINC000878705231 613162548 /nfs/dbraw/zinc/16/25/48/613162548.db2.gz RZTGBILJKFEVKY-LBPRGKRZSA-N 1 2 293.392 0.792 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)NCc1cnc(C)s1 ZINC000878705231 613162550 /nfs/dbraw/zinc/16/25/50/613162550.db2.gz RZTGBILJKFEVKY-LBPRGKRZSA-N 1 2 293.392 0.792 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2CCC(=O)CC2)C1 ZINC000923575212 613165845 /nfs/dbraw/zinc/16/58/45/613165845.db2.gz XJJXUUMILGMBSH-CYBMUJFWSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=O)CC2)C1 ZINC000923575212 613165847 /nfs/dbraw/zinc/16/58/47/613165847.db2.gz XJJXUUMILGMBSH-CYBMUJFWSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CSc2n[nH]c(C)n2)C1 ZINC000923575343 613166173 /nfs/dbraw/zinc/16/61/73/613166173.db2.gz YCUUHKKKUDPZNR-LLVKDONJSA-N 1 2 293.396 0.419 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CSc2n[nH]c(C)n2)C1 ZINC000923575343 613166174 /nfs/dbraw/zinc/16/61/74/613166174.db2.gz YCUUHKKKUDPZNR-LLVKDONJSA-N 1 2 293.396 0.419 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)on2)C1 ZINC000923561603 613173845 /nfs/dbraw/zinc/17/38/45/613173845.db2.gz HEQVCRYSSLIVMU-SNVBAGLBSA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)on2)C1 ZINC000923561603 613173846 /nfs/dbraw/zinc/17/38/46/613173846.db2.gz HEQVCRYSSLIVMU-SNVBAGLBSA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000923569334 613174638 /nfs/dbraw/zinc/17/46/38/613174638.db2.gz NPJKRKLSASZRHW-LLVKDONJSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000923569334 613174639 /nfs/dbraw/zinc/17/46/39/613174639.db2.gz NPJKRKLSASZRHW-LLVKDONJSA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCC(C)CC2)C1 ZINC000885514043 613176091 /nfs/dbraw/zinc/17/60/91/613176091.db2.gz NQASYUAXYLJDQL-CQSZACIVSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC(C)CC2)C1 ZINC000885514043 613176093 /nfs/dbraw/zinc/17/60/93/613176093.db2.gz NQASYUAXYLJDQL-CQSZACIVSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(F)CC2)C1 ZINC000919874781 613192754 /nfs/dbraw/zinc/19/27/54/613192754.db2.gz FEBNDRHEKOKBSJ-NSHDSACASA-N 1 2 274.361 0.506 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(F)CC2)C1 ZINC000919874781 613192755 /nfs/dbraw/zinc/19/27/55/613192755.db2.gz FEBNDRHEKOKBSJ-NSHDSACASA-N 1 2 274.361 0.506 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CCC ZINC000846368024 613201179 /nfs/dbraw/zinc/20/11/79/613201179.db2.gz PLAVYEUTHICRIY-IHRRRGAJSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CCC ZINC000846368024 613201181 /nfs/dbraw/zinc/20/11/81/613201181.db2.gz PLAVYEUTHICRIY-IHRRRGAJSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CCN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000845499649 613205692 /nfs/dbraw/zinc/20/56/92/613205692.db2.gz CCKAZPLEVSUUED-CYBMUJFWSA-N 1 2 260.341 0.612 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898893577 613207318 /nfs/dbraw/zinc/20/73/18/613207318.db2.gz FUSKTDIRYZSTMD-CQSZACIVSA-N 1 2 283.331 0.794 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC000949355714 613210522 /nfs/dbraw/zinc/21/05/22/613210522.db2.gz VNXYQFBDRPYKGA-CQSZACIVSA-N 1 2 294.395 0.330 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC000949355714 613210523 /nfs/dbraw/zinc/21/05/23/613210523.db2.gz VNXYQFBDRPYKGA-CQSZACIVSA-N 1 2 294.395 0.330 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373126 613211074 /nfs/dbraw/zinc/21/10/74/613211074.db2.gz HSUMXJTWHPYGIY-INIZCTEOSA-N 1 2 292.379 0.228 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373126 613211076 /nfs/dbraw/zinc/21/10/76/613211076.db2.gz HSUMXJTWHPYGIY-INIZCTEOSA-N 1 2 292.379 0.228 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308995 613212409 /nfs/dbraw/zinc/21/24/09/613212409.db2.gz SZHGFRYNRDSMAN-MRXNPFEDSA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308995 613212410 /nfs/dbraw/zinc/21/24/10/613212410.db2.gz SZHGFRYNRDSMAN-MRXNPFEDSA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3=COCCC3)C2)C1 ZINC000972286395 613212522 /nfs/dbraw/zinc/21/25/22/613212522.db2.gz SPFVSLVNEACIRE-MRXNPFEDSA-N 1 2 290.363 0.617 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3=COCCC3)C2)C1 ZINC000972286395 613212524 /nfs/dbraw/zinc/21/25/24/613212524.db2.gz SPFVSLVNEACIRE-MRXNPFEDSA-N 1 2 290.363 0.617 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnnn2C)C1 ZINC000949995055 613297421 /nfs/dbraw/zinc/29/74/21/613297421.db2.gz IRNJDWQLXNBYMM-UHFFFAOYSA-N 1 2 263.345 0.538 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000962506008 613319526 /nfs/dbraw/zinc/31/95/26/613319526.db2.gz HFCBYQHRZTUEFL-YABSGUDNSA-N 1 2 281.319 0.251 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000962506008 613319528 /nfs/dbraw/zinc/31/95/28/613319528.db2.gz HFCBYQHRZTUEFL-YABSGUDNSA-N 1 2 281.319 0.251 20 30 CCEDLO C#CCNC(=O)CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852019742 613323797 /nfs/dbraw/zinc/32/37/97/613323797.db2.gz FXBJWDVYGYQGKB-UHFFFAOYSA-N 1 2 292.766 0.983 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000799183100 613328388 /nfs/dbraw/zinc/32/83/88/613328388.db2.gz BINDZWJUYICSAR-ZDUSSCGKSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000799183100 613328389 /nfs/dbraw/zinc/32/83/89/613328389.db2.gz BINDZWJUYICSAR-ZDUSSCGKSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880050872 613329976 /nfs/dbraw/zinc/32/99/76/613329976.db2.gz GYNYBIFACLCCQA-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880050872 613329977 /nfs/dbraw/zinc/32/99/77/613329977.db2.gz GYNYBIFACLCCQA-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852711244 613330977 /nfs/dbraw/zinc/33/09/77/613330977.db2.gz DEEMRRPAAZZSPU-GFCCVEGCSA-N 1 2 268.263 0.337 20 30 CCEDLO C=C(C)COCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901081011 613351850 /nfs/dbraw/zinc/35/18/50/613351850.db2.gz IWQPTPWNXUTPQA-UVTDQMKNSA-N 1 2 282.384 0.974 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922737902 613357029 /nfs/dbraw/zinc/35/70/29/613357029.db2.gz VJFGFAUGQVJIJF-ITDFMYJTSA-N 1 2 268.357 0.318 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913440289 613361030 /nfs/dbraw/zinc/36/10/30/613361030.db2.gz AYVVGERRLWWXME-IHRRRGAJSA-N 1 2 290.367 0.864 20 30 CCEDLO C=C(COC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)OCC ZINC000805477592 613367500 /nfs/dbraw/zinc/36/75/00/613367500.db2.gz LUBNMJGQUSDQLH-LLVKDONJSA-N 1 2 271.313 0.370 20 30 CCEDLO C=C(COC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)OCC ZINC000805477592 613367501 /nfs/dbraw/zinc/36/75/01/613367501.db2.gz LUBNMJGQUSDQLH-LLVKDONJSA-N 1 2 271.313 0.370 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000970369619 613371714 /nfs/dbraw/zinc/37/17/14/613371714.db2.gz SBFLTUOAJPWSFP-SECBINFHSA-N 1 2 298.774 0.928 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC000970571568 613371957 /nfs/dbraw/zinc/37/19/57/613371957.db2.gz MLKGDDKELCWFQL-SECBINFHSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516762 613375462 /nfs/dbraw/zinc/37/54/62/613375462.db2.gz FITDZYPMVCJOPP-KOLCDFICSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516762 613375463 /nfs/dbraw/zinc/37/54/63/613375463.db2.gz FITDZYPMVCJOPP-KOLCDFICSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cncn2)C(C)(C)C1 ZINC000977549688 613380850 /nfs/dbraw/zinc/38/08/50/613380850.db2.gz APVMJVATGNUKSA-NSHDSACASA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cncn2)C(C)(C)C1 ZINC000977549688 613380851 /nfs/dbraw/zinc/38/08/51/613380851.db2.gz APVMJVATGNUKSA-NSHDSACASA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933170544 613383781 /nfs/dbraw/zinc/38/37/81/613383781.db2.gz RKLLLVQUOKWLMO-NEPJUHHUSA-N 1 2 288.775 0.735 20 30 CCEDLO C=CCSCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865041167 613394743 /nfs/dbraw/zinc/39/47/43/613394743.db2.gz MWSVVALHINMSGH-ONEGZZNKSA-N 1 2 270.398 0.910 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925595138 613404551 /nfs/dbraw/zinc/40/45/51/613404551.db2.gz NSEKQNIORZIHQN-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000889655965 613408332 /nfs/dbraw/zinc/40/83/32/613408332.db2.gz SZSZOWPFJQERMD-CQSZACIVSA-N 1 2 263.385 0.849 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000878991080 613412093 /nfs/dbraw/zinc/41/20/93/613412093.db2.gz UOVAIYSJWIWURN-NWDGAFQWSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000878991080 613412094 /nfs/dbraw/zinc/41/20/94/613412094.db2.gz UOVAIYSJWIWURN-NWDGAFQWSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000878508402 613413317 /nfs/dbraw/zinc/41/33/17/613413317.db2.gz BUZCLJFKRJSIEV-NSHDSACASA-N 1 2 284.385 0.681 20 30 CCEDLO CC(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941265323 613414069 /nfs/dbraw/zinc/41/40/69/613414069.db2.gz WBWNFXAJOVKLPC-UHFFFAOYSA-N 1 2 298.390 0.907 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)OC ZINC000878410736 613419666 /nfs/dbraw/zinc/41/96/66/613419666.db2.gz AEBAUQMOXZUNIV-RYUDHWBXSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981753383 613431693 /nfs/dbraw/zinc/43/16/93/613431693.db2.gz DEIBJPBQKLOCER-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981753383 613431694 /nfs/dbraw/zinc/43/16/94/613431694.db2.gz DEIBJPBQKLOCER-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCn1cc(C(=O)OCCCn2cc[nH+]c2)nn1 ZINC000830124935 613432104 /nfs/dbraw/zinc/43/21/04/613432104.db2.gz FSFDBUIEDSGQCX-UHFFFAOYSA-N 1 2 261.285 0.908 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC000956598177 613433754 /nfs/dbraw/zinc/43/37/54/613433754.db2.gz APBQQKHGRNFASR-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](CCOC)CC1 ZINC000845638643 613445020 /nfs/dbraw/zinc/44/50/20/613445020.db2.gz JLBJLKIRCMJHMO-LLVKDONJSA-N 1 2 257.334 0.466 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854352800 613464846 /nfs/dbraw/zinc/46/48/46/613464846.db2.gz KPVNDACBHXORTF-ZDUSSCGKSA-N 1 2 251.374 0.849 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854352800 613464847 /nfs/dbraw/zinc/46/48/47/613464847.db2.gz KPVNDACBHXORTF-ZDUSSCGKSA-N 1 2 251.374 0.849 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000924808055 613472312 /nfs/dbraw/zinc/47/23/12/613472312.db2.gz YWWQEPWTYWZPNE-RWMBFGLXSA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000924808055 613472314 /nfs/dbraw/zinc/47/23/14/613472314.db2.gz YWWQEPWTYWZPNE-RWMBFGLXSA-N 1 2 295.383 0.982 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874712358 613478285 /nfs/dbraw/zinc/47/82/85/613478285.db2.gz XLUMKYNAEPMBHD-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874712358 613478286 /nfs/dbraw/zinc/47/82/86/613478286.db2.gz XLUMKYNAEPMBHD-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000844284116 613486747 /nfs/dbraw/zinc/48/67/47/613486747.db2.gz PPLFTBMYWATGIG-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC000941515632 613529657 /nfs/dbraw/zinc/52/96/57/613529657.db2.gz AKULXAIMUFEFSP-HNNXBMFYSA-N 1 2 295.402 0.832 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972291007 613571032 /nfs/dbraw/zinc/57/10/32/613571032.db2.gz KXOSLSIINDAZRM-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972291007 613571036 /nfs/dbraw/zinc/57/10/36/613571036.db2.gz KXOSLSIINDAZRM-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909375869 613587884 /nfs/dbraw/zinc/58/78/84/613587884.db2.gz NDBMQVDURDITFQ-JWAFFJSPSA-N 1 2 282.384 0.708 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520196 613593638 /nfs/dbraw/zinc/59/36/38/613593638.db2.gz DKOHENDZWGOOKT-NWDGAFQWSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520196 613593639 /nfs/dbraw/zinc/59/36/39/613593639.db2.gz DKOHENDZWGOOKT-NWDGAFQWSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)nn1 ZINC000895319571 613599312 /nfs/dbraw/zinc/59/93/12/613599312.db2.gz DJTPKQZFPREFBX-LLVKDONJSA-N 1 2 263.345 0.468 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900629447 613645365 /nfs/dbraw/zinc/64/53/65/613645365.db2.gz VYPYZUZSNWJFPE-UHFFFAOYSA-N 1 2 266.308 0.706 20 30 CCEDLO C=CC[N@@H+](CN1CC(=O)N(CC)C1=O)[C@@H](C)COC ZINC000853532254 613651208 /nfs/dbraw/zinc/65/12/08/613651208.db2.gz BVZQPDSBBLKXOI-NSHDSACASA-N 1 2 269.345 0.751 20 30 CCEDLO C=CC[N@H+](CN1CC(=O)N(CC)C1=O)[C@@H](C)COC ZINC000853532254 613651210 /nfs/dbraw/zinc/65/12/10/613651210.db2.gz BVZQPDSBBLKXOI-NSHDSACASA-N 1 2 269.345 0.751 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC000957338334 613654948 /nfs/dbraw/zinc/65/49/48/613654948.db2.gz LDJKROJUGCJGQE-CYBMUJFWSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 ZINC000949606440 613708755 /nfs/dbraw/zinc/70/87/55/613708755.db2.gz BULUEQTVGWIVCO-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cnn(C)c2C)CC1 ZINC000948690711 613710011 /nfs/dbraw/zinc/71/00/11/613710011.db2.gz VOYLFBVBULJNIV-UHFFFAOYSA-N 1 2 262.357 0.601 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000948953058 613711234 /nfs/dbraw/zinc/71/12/34/613711234.db2.gz GEUXTBFHYPXDLV-CYBMUJFWSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC000949583340 613714105 /nfs/dbraw/zinc/71/41/05/613714105.db2.gz MGZVYKNBJKJOFD-UHFFFAOYSA-N 1 2 290.367 0.341 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000819898011 613720149 /nfs/dbraw/zinc/72/01/49/613720149.db2.gz WZLHFYCLIMXNSD-CYBMUJFWSA-N 1 2 290.371 0.796 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000819898011 613720150 /nfs/dbraw/zinc/72/01/50/613720150.db2.gz WZLHFYCLIMXNSD-CYBMUJFWSA-N 1 2 290.371 0.796 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972207978 613725542 /nfs/dbraw/zinc/72/55/42/613725542.db2.gz QOALENXMZBAJOB-CQSZACIVSA-N 1 2 250.342 0.886 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972207978 613725546 /nfs/dbraw/zinc/72/55/46/613725546.db2.gz QOALENXMZBAJOB-CQSZACIVSA-N 1 2 250.342 0.886 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934644771 613845563 /nfs/dbraw/zinc/84/55/63/613845563.db2.gz XMHRYFOTAZMACJ-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934644771 613845564 /nfs/dbraw/zinc/84/55/64/613845564.db2.gz XMHRYFOTAZMACJ-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1cccnc1 ZINC000884220758 613877370 /nfs/dbraw/zinc/87/73/70/613877370.db2.gz BKVNWAUFVRCHCD-NSHDSACASA-N 1 2 263.297 0.491 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C)CCOCC1 ZINC000884468088 613878049 /nfs/dbraw/zinc/87/80/49/613878049.db2.gz QESFLACSOFSGMK-JTQLQIEISA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCOC1 ZINC000884428975 613878201 /nfs/dbraw/zinc/87/82/01/613878201.db2.gz UKOFIRQUHWDJQN-NEPJUHHUSA-N 1 2 284.356 0.366 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCS1 ZINC000884142810 613878301 /nfs/dbraw/zinc/87/83/01/613878301.db2.gz MCAQKYRLFKQXNS-UWVGGRQHSA-N 1 2 272.370 0.445 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000884440006 613878344 /nfs/dbraw/zinc/87/83/44/613878344.db2.gz WANKZWLOBVAECP-OXIQGZBJSA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000884406908 613878405 /nfs/dbraw/zinc/87/84/05/613878405.db2.gz LHDQEZZEXAEEAP-SRVKXCTJSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H](N)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000884346840 613878415 /nfs/dbraw/zinc/87/84/15/613878415.db2.gz CERWELDHCSKUPM-ZDUSSCGKSA-N 1 2 291.351 0.761 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]1(C)CC1(C)C ZINC000884414629 613878768 /nfs/dbraw/zinc/87/87/68/613878768.db2.gz XMXAVUIJQHPJHI-ZANVPECISA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccn1 ZINC000884177373 613878834 /nfs/dbraw/zinc/87/88/34/613878834.db2.gz IACQKHDQWVTSOE-MNOVXSKESA-N 1 2 277.324 0.705 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000884168272 613878915 /nfs/dbraw/zinc/87/89/15/613878915.db2.gz BTYQFXWCQWTHIW-DCAQKATOSA-N 1 2 284.356 0.363 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000825184861 614327083 /nfs/dbraw/zinc/32/70/83/614327083.db2.gz AXIISPMWPVRXOK-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000825184861 614327087 /nfs/dbraw/zinc/32/70/87/614327087.db2.gz AXIISPMWPVRXOK-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000826571578 614328404 /nfs/dbraw/zinc/32/84/04/614328404.db2.gz IIAHANIYUKDBTR-CHWSQXEVSA-N 1 2 252.358 0.871 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912611310 614471213 /nfs/dbraw/zinc/47/12/13/614471213.db2.gz BOZOBKCXGBSXRT-JTQLQIEISA-N 1 2 264.329 0.900 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252756 614604705 /nfs/dbraw/zinc/60/47/05/614604705.db2.gz JGKDXCBWHLICOR-GFCCVEGCSA-N 1 2 275.356 0.623 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000956572467 614608024 /nfs/dbraw/zinc/60/80/24/614608024.db2.gz QBRCGPVFTHAZSO-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000895324371 614692751 /nfs/dbraw/zinc/69/27/51/614692751.db2.gz QDZLSGUOEQTPMP-VIFPVBQESA-N 1 2 250.327 0.629 20 30 CCEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@@H](C)O)C1 ZINC000949913036 614724497 /nfs/dbraw/zinc/72/44/97/614724497.db2.gz NHIHOAWMIYVECU-SNVBAGLBSA-N 1 2 276.340 0.413 20 30 CCEDLO CCCCCCC[NH+](CC(=O)NC)CC(=O)NC ZINC000880151233 614901517 /nfs/dbraw/zinc/90/15/17/614901517.db2.gz BLYFZPWRBTXUQU-UHFFFAOYSA-N 1 2 257.378 0.751 20 30 CCEDLO CCCCCS(=O)(=O)CC(=O)NCC#CC[NH+](C)C ZINC000913518025 614925730 /nfs/dbraw/zinc/92/57/30/614925730.db2.gz AJYHMELIOPFGID-UHFFFAOYSA-N 1 2 288.413 0.273 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861670 615061396 /nfs/dbraw/zinc/06/13/96/615061396.db2.gz GXIVVLBSLMMJDD-RYUDHWBXSA-N 1 2 296.371 0.425 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861670 615061398 /nfs/dbraw/zinc/06/13/98/615061398.db2.gz GXIVVLBSLMMJDD-RYUDHWBXSA-N 1 2 296.371 0.425 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000915551425 615161435 /nfs/dbraw/zinc/16/14/35/615161435.db2.gz YBKJULDRIQQPEJ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000915551425 615161436 /nfs/dbraw/zinc/16/14/36/615161436.db2.gz YBKJULDRIQQPEJ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474087 615186667 /nfs/dbraw/zinc/18/66/67/615186667.db2.gz NABAWEHYJXKSMP-NEPJUHHUSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474087 615186668 /nfs/dbraw/zinc/18/66/68/615186668.db2.gz NABAWEHYJXKSMP-NEPJUHHUSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456579 615365297 /nfs/dbraw/zinc/36/52/97/615365297.db2.gz MAIRNEJGAMAEPH-CMPLNLGQSA-N 1 2 261.329 0.443 20 30 CCEDLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCc1nc(C#N)cs1 ZINC000902444459 615387924 /nfs/dbraw/zinc/38/79/24/615387924.db2.gz HLUNYYXRURHCHI-ONGXEEELSA-N 1 2 280.353 0.398 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000925586040 615477779 /nfs/dbraw/zinc/47/77/79/615477779.db2.gz RPVIKOODPHYTRV-STQMWFEESA-N 1 2 296.371 0.031 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CC1 ZINC000922311510 615477824 /nfs/dbraw/zinc/47/78/24/615477824.db2.gz HGZXBEZINYLJST-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000898542584 615550522 /nfs/dbraw/zinc/55/05/22/615550522.db2.gz WCEYJHCLUWOJKL-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000898542584 615550523 /nfs/dbraw/zinc/55/05/23/615550523.db2.gz WCEYJHCLUWOJKL-CYBMUJFWSA-N 1 2 298.350 0.701 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913460490 615587876 /nfs/dbraw/zinc/58/78/76/615587876.db2.gz JTEPVSILDDYPCH-JSGCOSHPSA-N 1 2 275.356 0.833 20 30 CCEDLO CN(C)c1[nH+]cc(CN=Nc2ncc(F)cn2)n1C ZINC000811646400 616035478 /nfs/dbraw/zinc/03/54/78/616035478.db2.gz YBCYLAXASUNLIR-UHFFFAOYSA-N 1 2 263.280 0.861 20 30 CCEDLO C[N@H+](CC(=O)n1ncc(C#N)c1N)[C@@H]1CCSC1 ZINC000119704747 616050866 /nfs/dbraw/zinc/05/08/66/616050866.db2.gz YZLMCQWUEWURBI-SECBINFHSA-N 1 2 265.342 0.414 20 30 CCEDLO C[N@@H+](CC(=O)n1ncc(C#N)c1N)[C@@H]1CCSC1 ZINC000119704747 616050867 /nfs/dbraw/zinc/05/08/67/616050867.db2.gz YZLMCQWUEWURBI-SECBINFHSA-N 1 2 265.342 0.414 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNOCc1ccccc1 ZINC000818948543 616067696 /nfs/dbraw/zinc/06/76/96/616067696.db2.gz CAWLFNCYYLQUOO-AWEZNQCLSA-N 1 2 263.341 0.914 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNOCc1ccccc1 ZINC000818948543 616067697 /nfs/dbraw/zinc/06/76/97/616067697.db2.gz CAWLFNCYYLQUOO-AWEZNQCLSA-N 1 2 263.341 0.914 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCSCC2)C[C@@H]1CO ZINC000827983642 616220898 /nfs/dbraw/zinc/22/08/98/616220898.db2.gz PFFQLYKQMSKDCN-LLVKDONJSA-N 1 2 283.397 0.158 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCSCC2)C[C@@H]1CO ZINC000827983642 616220899 /nfs/dbraw/zinc/22/08/99/616220899.db2.gz PFFQLYKQMSKDCN-LLVKDONJSA-N 1 2 283.397 0.158 20 30 CCEDLO C[NH+]1CCN(N=Cc2cnc(N3CCCC3)nc2)CC1 ZINC000914771963 616246260 /nfs/dbraw/zinc/24/62/60/616246260.db2.gz DTWFHRDOVQHZDT-UHFFFAOYSA-N 1 2 274.372 0.658 20 30 CCEDLO C[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@H](CO)C1 ZINC000872606077 616247811 /nfs/dbraw/zinc/24/78/11/616247811.db2.gz MAQWSXXPYOGWIC-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2snc(Cl)c2C#N)[C@H](CO)C1 ZINC000872606077 616247812 /nfs/dbraw/zinc/24/78/12/616247812.db2.gz MAQWSXXPYOGWIC-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO COC1(OC)CC[N@H+](Cc2ccncc2C#N)C[C@@H]1O ZINC000931637215 616471404 /nfs/dbraw/zinc/47/14/04/616471404.db2.gz HKPYCMXFFCIXIJ-ZDUSSCGKSA-N 1 2 277.324 0.509 20 30 CCEDLO COC1(OC)CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1O ZINC000931637215 616471407 /nfs/dbraw/zinc/47/14/07/616471407.db2.gz HKPYCMXFFCIXIJ-ZDUSSCGKSA-N 1 2 277.324 0.509 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158293 616517737 /nfs/dbraw/zinc/51/77/37/616517737.db2.gz WESISCLOCBKFRC-XQQFMLRXSA-N 1 2 296.367 0.430 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158293 616517741 /nfs/dbraw/zinc/51/77/41/616517741.db2.gz WESISCLOCBKFRC-XQQFMLRXSA-N 1 2 296.367 0.430 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328912 616735574 /nfs/dbraw/zinc/73/55/74/616735574.db2.gz PKKWZLACZLCPRQ-UKRRQHHQSA-N 1 2 275.352 0.946 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328912 616735575 /nfs/dbraw/zinc/73/55/75/616735575.db2.gz PKKWZLACZLCPRQ-UKRRQHHQSA-N 1 2 275.352 0.946 20 30 CCEDLO COCC(COC)NN=Cc1cccc2[nH+]ccn21 ZINC000863195094 616736807 /nfs/dbraw/zinc/73/68/07/616736807.db2.gz OCNAVYNSTCHIDR-UHFFFAOYSA-N 1 2 262.313 0.919 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000880566602 616786436 /nfs/dbraw/zinc/78/64/36/616786436.db2.gz OLTJNYLHYJBDRA-AWEZNQCLSA-N 1 2 278.283 0.807 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000880566602 616786439 /nfs/dbraw/zinc/78/64/39/616786439.db2.gz OLTJNYLHYJBDRA-AWEZNQCLSA-N 1 2 278.283 0.807 20 30 CCEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965195 616852668 /nfs/dbraw/zinc/85/26/68/616852668.db2.gz DOQHWNPNQOQUHQ-QWHCGFSZSA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965195 616852670 /nfs/dbraw/zinc/85/26/70/616852670.db2.gz DOQHWNPNQOQUHQ-QWHCGFSZSA-N 1 2 296.367 0.959 20 30 CCEDLO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)CC#N)nc1 ZINC000930809958 616897630 /nfs/dbraw/zinc/89/76/30/616897630.db2.gz DZIMQVNGCSVDTL-GFCCVEGCSA-N 1 2 263.297 0.575 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)CC#N)nc1 ZINC000930809958 616897634 /nfs/dbraw/zinc/89/76/34/616897634.db2.gz DZIMQVNGCSVDTL-GFCCVEGCSA-N 1 2 263.297 0.575 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866352994 616924413 /nfs/dbraw/zinc/92/44/13/616924413.db2.gz DCZGUPYGRPYHIB-KOLCDFICSA-N 1 2 250.298 0.922 20 30 CCEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000880302492 616927775 /nfs/dbraw/zinc/92/77/75/616927775.db2.gz HXWJSFSBXUALBI-JTQLQIEISA-N 1 2 279.262 0.669 20 30 CCEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000880302492 616927777 /nfs/dbraw/zinc/92/77/77/616927777.db2.gz HXWJSFSBXUALBI-JTQLQIEISA-N 1 2 279.262 0.669 20 30 CCEDLO COC[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000933337314 616985125 /nfs/dbraw/zinc/98/51/25/616985125.db2.gz UIYQYGMOBRSWLS-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000933337314 616985130 /nfs/dbraw/zinc/98/51/30/616985130.db2.gz UIYQYGMOBRSWLS-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COCCN(CCC#N)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900560276 616991495 /nfs/dbraw/zinc/99/14/95/616991495.db2.gz JTXRNMZJMQBLRF-WYMLVPIESA-N 1 2 295.383 0.654 20 30 CCEDLO COC(=O)c1coc(C[NH2+][C@H]2CCCN(O)C2=O)c1 ZINC000895162158 617016203 /nfs/dbraw/zinc/01/62/03/617016203.db2.gz XFCOINKSIMXDAI-JTQLQIEISA-N 1 2 268.269 0.536 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902609401 617171017 /nfs/dbraw/zinc/17/10/17/617171017.db2.gz QMULKXXRLGZEOF-CYBMUJFWSA-N 1 2 294.351 0.529 20 30 CCEDLO C[C@H](CC#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931156218 625483377 /nfs/dbraw/zinc/48/33/77/625483377.db2.gz DIHKDJLAWKRMTL-UPJWGTAASA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@]1(C2CC2)COCC[N@@H+]1CC(=O)NCCC#N ZINC000934482035 622717831 /nfs/dbraw/zinc/71/78/31/622717831.db2.gz ABKFFSKNHMSXJG-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@]1(C2CC2)COCC[N@H+]1CC(=O)NCCC#N ZINC000934482035 622717836 /nfs/dbraw/zinc/71/78/36/622717836.db2.gz ABKFFSKNHMSXJG-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO C=CC[N@@H+](CCCC(=O)N(C)C)CC(=O)OCC ZINC000157418678 622972169 /nfs/dbraw/zinc/97/21/69/622972169.db2.gz OGMWTAMWGAPJFS-UHFFFAOYSA-N 1 2 256.346 0.906 20 30 CCEDLO C=CC[N@H+](CCCC(=O)N(C)C)CC(=O)OCC ZINC000157418678 622972173 /nfs/dbraw/zinc/97/21/73/622972173.db2.gz OGMWTAMWGAPJFS-UHFFFAOYSA-N 1 2 256.346 0.906 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCO[C@](C)(C#N)C2)CCO1 ZINC000892596933 623573135 /nfs/dbraw/zinc/57/31/35/623573135.db2.gz RLLYXTPVGJYQGP-TZMCWYRMSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCO[C@](C)(C#N)C2)CCO1 ZINC000892596933 623573139 /nfs/dbraw/zinc/57/31/39/623573139.db2.gz RLLYXTPVGJYQGP-TZMCWYRMSA-N 1 2 296.371 0.031 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018826458 623747350 /nfs/dbraw/zinc/74/73/50/623747350.db2.gz FEHISPIWEMTWCY-LBPRGKRZSA-N 1 2 274.324 0.482 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007704731 623848510 /nfs/dbraw/zinc/84/85/10/623848510.db2.gz KVEWVMRCMRQDGD-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969135720 624466697 /nfs/dbraw/zinc/46/66/97/624466697.db2.gz NSDQVOJVWCUMLJ-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N(C)c1ccccc1 ZINC000121355744 624853439 /nfs/dbraw/zinc/85/34/39/624853439.db2.gz WVDZAXIXSHJXIJ-JTQLQIEISA-N 1 2 265.313 0.709 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000084505453 624904077 /nfs/dbraw/zinc/90/40/77/624904077.db2.gz GNVKLEHHBSFHMB-UHFFFAOYSA-N 1 2 265.313 0.476 20 30 CCEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000047796063 631630597 /nfs/dbraw/zinc/63/05/97/631630597.db2.gz SSNWYVDIDLQEBL-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000047796063 631630601 /nfs/dbraw/zinc/63/06/01/631630601.db2.gz SSNWYVDIDLQEBL-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCn1cc[nH+]c1 ZINC000989259704 633178643 /nfs/dbraw/zinc/17/86/43/633178643.db2.gz NILLMJZSCMXBBJ-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2conc2COC)CC1 ZINC000989463418 633298353 /nfs/dbraw/zinc/29/83/53/633298353.db2.gz CENVCOCQCSPLDH-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2conc2COC)CC1 ZINC000989463418 633298358 /nfs/dbraw/zinc/29/83/58/633298358.db2.gz CENVCOCQCSPLDH-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001008463737 650115839 /nfs/dbraw/zinc/11/58/39/650115839.db2.gz IUKPFQHUNQYQQQ-STQMWFEESA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001008463737 650115840 /nfs/dbraw/zinc/11/58/40/650115840.db2.gz IUKPFQHUNQYQQQ-STQMWFEESA-N 1 2 291.395 0.812 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008490914 650117069 /nfs/dbraw/zinc/11/70/69/650117069.db2.gz WHBZNPRPELZNDL-RYUDHWBXSA-N 1 2 287.367 0.934 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(COC)n2)C1 ZINC001009034360 650136219 /nfs/dbraw/zinc/13/62/19/650136219.db2.gz JDWQPJICJMBNIA-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(COC)n2)C1 ZINC001009034360 650136222 /nfs/dbraw/zinc/13/62/22/650136222.db2.gz JDWQPJICJMBNIA-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001009997685 650177112 /nfs/dbraw/zinc/17/71/12/650177112.db2.gz PHOQRMQCOMKTOI-JTQLQIEISA-N 1 2 272.732 0.818 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001009997685 650177113 /nfs/dbraw/zinc/17/71/13/650177113.db2.gz PHOQRMQCOMKTOI-JTQLQIEISA-N 1 2 272.732 0.818 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001010479322 650232392 /nfs/dbraw/zinc/23/23/92/650232392.db2.gz PBGKSUXLOVKRSK-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001010479322 650232393 /nfs/dbraw/zinc/23/23/93/650232393.db2.gz PBGKSUXLOVKRSK-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C#Cc3ccccc3)CC[NH2+]2)cn1 ZINC000913469401 636821075 /nfs/dbraw/zinc/82/10/75/636821075.db2.gz YWBWPZYJWVCATB-INIZCTEOSA-N 1 2 294.358 0.945 20 30 CCEDLO C#CCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000174102975 637243951 /nfs/dbraw/zinc/24/39/51/637243951.db2.gz BYOBORGOUKPTOA-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993360688 637795399 /nfs/dbraw/zinc/79/53/99/637795399.db2.gz SELLHRMCWOZPKR-WCQYABFASA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993360688 637795401 /nfs/dbraw/zinc/79/54/01/637795401.db2.gz SELLHRMCWOZPKR-WCQYABFASA-N 1 2 289.383 0.648 20 30 CCEDLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000938989879 638285223 /nfs/dbraw/zinc/28/52/23/638285223.db2.gz FHAFOGUTJMRSLR-LBPRGKRZSA-N 1 2 286.335 0.083 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994918963 638332956 /nfs/dbraw/zinc/33/29/56/638332956.db2.gz ZLPURXHVLNNUBJ-UHFFFAOYSA-N 1 2 276.340 0.422 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939525184 638373973 /nfs/dbraw/zinc/37/39/73/638373973.db2.gz SXXOGJMIFPUSJY-GMTAPVOTSA-N 1 2 289.339 0.075 20 30 CCEDLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NCC#N ZINC000995890589 638804664 /nfs/dbraw/zinc/80/46/64/638804664.db2.gz HLJXASQARZCOKD-LBPRGKRZSA-N 1 2 275.356 0.692 20 30 CCEDLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC000995890589 638804665 /nfs/dbraw/zinc/80/46/65/638804665.db2.gz HLJXASQARZCOKD-LBPRGKRZSA-N 1 2 275.356 0.692 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014459345 650454139 /nfs/dbraw/zinc/45/41/39/650454139.db2.gz HYJRPWZXGSVOAZ-YUSALJHKSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001014459345 650454143 /nfs/dbraw/zinc/45/41/43/650454143.db2.gz HYJRPWZXGSVOAZ-YUSALJHKSA-N 1 2 299.802 0.844 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC000947930777 638878110 /nfs/dbraw/zinc/87/81/10/638878110.db2.gz VDNHKKXUYKQBME-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000998746319 638938761 /nfs/dbraw/zinc/93/87/61/638938761.db2.gz MTPPQNYWNOGZIW-MNOVXSKESA-N 1 2 291.355 0.872 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545840 638985206 /nfs/dbraw/zinc/98/52/06/638985206.db2.gz LLAJAEUELAZJQK-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015041319 650517847 /nfs/dbraw/zinc/51/78/47/650517847.db2.gz DZGNWNMZMXMCHP-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015041319 650517848 /nfs/dbraw/zinc/51/78/48/650517848.db2.gz DZGNWNMZMXMCHP-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015065609 650523667 /nfs/dbraw/zinc/52/36/67/650523667.db2.gz GDEODLRYOYKBJN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015065609 650523670 /nfs/dbraw/zinc/52/36/70/650523670.db2.gz GDEODLRYOYKBJN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015065609 650523675 /nfs/dbraw/zinc/52/36/75/650523675.db2.gz GDEODLRYOYKBJN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015065609 650523677 /nfs/dbraw/zinc/52/36/77/650523677.db2.gz GDEODLRYOYKBJN-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015162408 650534422 /nfs/dbraw/zinc/53/44/22/650534422.db2.gz RYEQVFGLZNOSFF-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001015162408 650534424 /nfs/dbraw/zinc/53/44/24/650534424.db2.gz RYEQVFGLZNOSFF-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001015169320 650534824 /nfs/dbraw/zinc/53/48/24/650534824.db2.gz FNTVZUXFTSXMHL-LBPRGKRZSA-N 1 2 295.342 0.965 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001015169320 650534827 /nfs/dbraw/zinc/53/48/27/650534827.db2.gz FNTVZUXFTSXMHL-LBPRGKRZSA-N 1 2 295.342 0.965 20 30 CCEDLO C[C@H](C(=O)OCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000798745714 640522413 /nfs/dbraw/zinc/52/24/13/640522413.db2.gz LDYXAHQARPABGH-SECBINFHSA-N 1 2 260.257 0.151 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000801910279 640673541 /nfs/dbraw/zinc/67/35/41/640673541.db2.gz NQPFIAFHWXNJSZ-STQMWFEESA-N 1 2 294.399 0.200 20 30 CCEDLO Cc1nsc(N2CC[NH+](CCO[C@@H](C)C#N)CC2)n1 ZINC000801934737 640678811 /nfs/dbraw/zinc/67/88/11/640678811.db2.gz QLZCFOPLXGSXPH-JTQLQIEISA-N 1 2 281.385 0.897 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000809571294 640900269 /nfs/dbraw/zinc/90/02/69/640900269.db2.gz NCHSVFPAJQHHNV-OAHLLOKOSA-N 1 2 299.378 0.726 20 30 CCEDLO CN(C)c1ncc(C=[NH+]NC(=S)NC2CC2)n1C ZINC000811632471 640983374 /nfs/dbraw/zinc/98/33/74/640983374.db2.gz PZSJSCXCUVEHKP-UHFFFAOYSA-N 1 2 266.374 0.447 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119216 650683725 /nfs/dbraw/zinc/68/37/25/650683725.db2.gz HTNLZCVJYSXZBO-CHWSQXEVSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119216 650683726 /nfs/dbraw/zinc/68/37/26/650683726.db2.gz HTNLZCVJYSXZBO-CHWSQXEVSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000823234143 641749686 /nfs/dbraw/zinc/74/96/86/641749686.db2.gz WEIIUDLNTJJRTM-CYBMUJFWSA-N 1 2 268.357 0.205 20 30 CCEDLO Cc1ccccc1C[C@@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121364395 642017692 /nfs/dbraw/zinc/01/76/92/642017692.db2.gz SOMAIZXKPXHYBQ-GFCCVEGCSA-N 1 2 293.367 0.713 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827983992 642057209 /nfs/dbraw/zinc/05/72/09/642057209.db2.gz ZQDCZPGTPQFKJD-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827983992 642057215 /nfs/dbraw/zinc/05/72/15/642057215.db2.gz ZQDCZPGTPQFKJD-ZDUSSCGKSA-N 1 2 273.336 0.615 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCOC1(C)C ZINC000835016791 642646580 /nfs/dbraw/zinc/64/65/80/642646580.db2.gz HPMHMPXQDIMYHY-VIFPVBQESA-N 1 2 265.317 0.558 20 30 CCEDLO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440162 650802082 /nfs/dbraw/zinc/80/20/82/650802082.db2.gz FEWSFTLRCGPVCM-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440162 650802086 /nfs/dbraw/zinc/80/20/86/650802086.db2.gz FEWSFTLRCGPVCM-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1N ZINC001017493476 650805705 /nfs/dbraw/zinc/80/57/05/650805705.db2.gz BEXKTUYCBCQZFI-TXEJJXNPSA-N 1 2 287.367 0.314 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1N ZINC001017493476 650805707 /nfs/dbraw/zinc/80/57/07/650805707.db2.gz BEXKTUYCBCQZFI-TXEJJXNPSA-N 1 2 287.367 0.314 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001017532905 650809300 /nfs/dbraw/zinc/80/93/00/650809300.db2.gz GWMAXKCUFFJATB-AXFHLTTASA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001017532905 650809302 /nfs/dbraw/zinc/80/93/02/650809302.db2.gz GWMAXKCUFFJATB-AXFHLTTASA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nncn2c1 ZINC001018062780 650841939 /nfs/dbraw/zinc/84/19/39/650841939.db2.gz FVKGYQWWODOZOM-OKILXGFUSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nncn2c1 ZINC001018062780 650841940 /nfs/dbraw/zinc/84/19/40/650841940.db2.gz FVKGYQWWODOZOM-OKILXGFUSA-N 1 2 295.346 0.651 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccn12 ZINC000848131143 643599535 /nfs/dbraw/zinc/59/95/35/643599535.db2.gz ZGWVHXNVQHQIDB-LLVKDONJSA-N 1 2 288.307 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nncn2C1 ZINC001018302998 650852021 /nfs/dbraw/zinc/85/20/21/650852021.db2.gz UQGUGGBMVCZULQ-MCIONIFRSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nncn2C1 ZINC001018302998 650852022 /nfs/dbraw/zinc/85/20/22/650852022.db2.gz UQGUGGBMVCZULQ-MCIONIFRSA-N 1 2 299.378 0.149 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCNC(=O)OC(C)(C)C)nn1 ZINC000849140458 643711710 /nfs/dbraw/zinc/71/17/10/643711710.db2.gz YGTOSGBZPYUPNH-UHFFFAOYSA-N 1 2 293.371 0.916 20 30 CCEDLO CC[C@H](CC#N)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852156116 643936011 /nfs/dbraw/zinc/93/60/11/643936011.db2.gz IVUNYJGGSTZBOG-OCCSQVGLSA-N 1 2 261.325 0.641 20 30 CCEDLO C[C@]1(C2CC2)C[N@H+](CC(=O)NCCC#N)CCO1 ZINC000852323353 643953553 /nfs/dbraw/zinc/95/35/53/643953553.db2.gz HMIFPFLHHXQKMF-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@]1(C2CC2)C[N@@H+](CC(=O)NCCC#N)CCO1 ZINC000852323353 643953555 /nfs/dbraw/zinc/95/35/55/643953555.db2.gz HMIFPFLHHXQKMF-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1=O ZINC000853523366 644115690 /nfs/dbraw/zinc/11/56/90/644115690.db2.gz UTHXHYMTGGTBNG-LBPRGKRZSA-N 1 2 284.323 0.291 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1=O ZINC000853523366 644115693 /nfs/dbraw/zinc/11/56/93/644115693.db2.gz UTHXHYMTGGTBNG-LBPRGKRZSA-N 1 2 284.323 0.291 20 30 CCEDLO C#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018877375 650918280 /nfs/dbraw/zinc/91/82/80/650918280.db2.gz ARXYQNHXBYBZDK-YUMQZZPRSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001018877375 650918283 /nfs/dbraw/zinc/91/82/83/650918283.db2.gz ARXYQNHXBYBZDK-YUMQZZPRSA-N 1 2 252.211 0.711 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001019330213 650962668 /nfs/dbraw/zinc/96/26/68/650962668.db2.gz SBRWSTLFOOXUKD-VIFPVBQESA-N 1 2 284.747 0.682 20 30 CCEDLO C[C@H](NC(=O)c1coc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000865179992 645335621 /nfs/dbraw/zinc/33/56/21/645335621.db2.gz HQBQACIPVODWOM-QWRGUYRKSA-N 1 2 277.324 0.990 20 30 CCEDLO N#CCCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058417 645954759 /nfs/dbraw/zinc/95/47/59/645954759.db2.gz LWUZVVXFVJXQCP-CQSZACIVSA-N 1 2 295.383 0.630 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000878817530 646985687 /nfs/dbraw/zinc/98/56/87/646985687.db2.gz GLCWPVFBEQJRSV-CYBMUJFWSA-N 1 2 290.367 0.816 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC000879223020 647036857 /nfs/dbraw/zinc/03/68/57/647036857.db2.gz QZRDYQJZBVPADG-WDEREUQCSA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC000879223020 647036858 /nfs/dbraw/zinc/03/68/58/647036858.db2.gz QZRDYQJZBVPADG-WDEREUQCSA-N 1 2 296.371 0.614 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879366731 647051749 /nfs/dbraw/zinc/05/17/49/647051749.db2.gz QWCAERDCDNJTOE-GXTWGEPZSA-N 1 2 261.325 0.518 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879366731 647051752 /nfs/dbraw/zinc/05/17/52/647051752.db2.gz QWCAERDCDNJTOE-GXTWGEPZSA-N 1 2 261.325 0.518 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000880459948 647203297 /nfs/dbraw/zinc/20/32/97/647203297.db2.gz MHQVELMAGZRZFW-BETUJISGSA-N 1 2 275.356 0.718 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H](C)N1CC#N ZINC000880455749 647203983 /nfs/dbraw/zinc/20/39/83/647203983.db2.gz BTLWETNMAZVQLX-VXGBXAGGSA-N 1 2 275.356 0.787 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H](C)N1CC#N ZINC000880455749 647203988 /nfs/dbraw/zinc/20/39/88/647203988.db2.gz BTLWETNMAZVQLX-VXGBXAGGSA-N 1 2 275.356 0.787 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880487018 647209583 /nfs/dbraw/zinc/20/95/83/647209583.db2.gz GYCXHCCNUKYQQW-CYBMUJFWSA-N 1 2 257.293 0.729 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880487018 647209592 /nfs/dbraw/zinc/20/95/92/647209592.db2.gz GYCXHCCNUKYQQW-CYBMUJFWSA-N 1 2 257.293 0.729 20 30 CCEDLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2C1 ZINC000884250235 647681347 /nfs/dbraw/zinc/68/13/47/647681347.db2.gz ZZRVMKXJIZEUEY-PTRXPTGYSA-N 1 2 273.340 0.376 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000930116668 648824423 /nfs/dbraw/zinc/82/44/23/648824423.db2.gz NXBNCPWGHNRMRO-UHFFFAOYSA-N 1 2 265.336 0.884 20 30 CCEDLO C[C@H]1C[NH+](Cc2[nH]nc3c2COCC3)C[C@H](C)N1CC#N ZINC000930829306 648911707 /nfs/dbraw/zinc/91/17/07/648911707.db2.gz RZGMUINNEWOROZ-RYUDHWBXSA-N 1 2 289.383 0.901 20 30 CCEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931943076 649038005 /nfs/dbraw/zinc/03/80/05/649038005.db2.gz UUVDLICARDBLHV-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000934515842 649178084 /nfs/dbraw/zinc/17/80/84/649178084.db2.gz ZCEKFIZKXDEIRK-LBPRGKRZSA-N 1 2 280.368 0.932 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000934515842 649178087 /nfs/dbraw/zinc/17/80/87/649178087.db2.gz ZCEKFIZKXDEIRK-LBPRGKRZSA-N 1 2 280.368 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1OCC ZINC001017377932 649813990 /nfs/dbraw/zinc/81/39/90/649813990.db2.gz ZYEBFIJKLDXQKJ-RFQIPJPRSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1OCC ZINC001017377932 649813993 /nfs/dbraw/zinc/81/39/93/649813993.db2.gz ZYEBFIJKLDXQKJ-RFQIPJPRSA-N 1 2 262.353 0.720 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3[C@H]4CN(CC#N)C[C@H]43)ccn12 ZINC000959887123 649846983 /nfs/dbraw/zinc/84/69/83/649846983.db2.gz JFUVXQBVBODVOQ-NHAGDIPZSA-N 1 2 295.346 0.826 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230335640 805595218 /nfs/dbraw/zinc/59/52/18/805595218.db2.gz XRWWJCPVOFDEEN-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230335640 805595226 /nfs/dbraw/zinc/59/52/26/805595226.db2.gz XRWWJCPVOFDEEN-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cnoc1C ZINC001266262364 790348379 /nfs/dbraw/zinc/34/83/79/790348379.db2.gz LXRIXRJLZLFUPW-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cnoc1C ZINC001266262364 790348389 /nfs/dbraw/zinc/34/83/89/790348389.db2.gz LXRIXRJLZLFUPW-UHFFFAOYSA-N 1 2 267.329 0.734 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001266282484 790394813 /nfs/dbraw/zinc/39/48/13/790394813.db2.gz DHDGOHBEPXSOIX-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001266282484 790394824 /nfs/dbraw/zinc/39/48/24/790394824.db2.gz DHDGOHBEPXSOIX-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1CC ZINC001039038661 790439108 /nfs/dbraw/zinc/43/91/08/790439108.db2.gz UUDSKJJJANFSON-NSHDSACASA-N 1 2 258.325 0.476 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1CC ZINC001039038661 790439116 /nfs/dbraw/zinc/43/91/16/790439116.db2.gz UUDSKJJJANFSON-NSHDSACASA-N 1 2 258.325 0.476 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266309832 790484696 /nfs/dbraw/zinc/48/46/96/790484696.db2.gz ABESAOCKLWIEEX-QWRGUYRKSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266309832 790484708 /nfs/dbraw/zinc/48/47/08/790484708.db2.gz ABESAOCKLWIEEX-QWRGUYRKSA-N 1 2 261.329 0.270 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1occc1Cl ZINC001266320406 790499443 /nfs/dbraw/zinc/49/94/43/790499443.db2.gz KPJTYGRDYQZDIX-UHFFFAOYSA-N 1 2 299.758 0.897 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1occc1Cl ZINC001266320406 790499449 /nfs/dbraw/zinc/49/94/49/790499449.db2.gz KPJTYGRDYQZDIX-UHFFFAOYSA-N 1 2 299.758 0.897 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001266332357 790523295 /nfs/dbraw/zinc/52/32/95/790523295.db2.gz LKXSPXZPOXWNKJ-UHFFFAOYSA-N 1 2 262.375 0.044 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001266332357 790523306 /nfs/dbraw/zinc/52/33/06/790523306.db2.gz LKXSPXZPOXWNKJ-UHFFFAOYSA-N 1 2 262.375 0.044 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001266522814 790865854 /nfs/dbraw/zinc/86/58/54/790865854.db2.gz ZMUYTFAPEUHMOE-LBPRGKRZSA-N 1 2 276.340 0.872 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCSC ZINC001230705146 805653386 /nfs/dbraw/zinc/65/33/86/805653386.db2.gz JEKYTODZCONIRV-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCSC ZINC001230705146 805653388 /nfs/dbraw/zinc/65/33/88/805653388.db2.gz JEKYTODZCONIRV-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803125 805669934 /nfs/dbraw/zinc/66/99/34/805669934.db2.gz VDXRXPSXAYWKHW-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803125 805669938 /nfs/dbraw/zinc/66/99/38/805669938.db2.gz VDXRXPSXAYWKHW-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001230860444 805679744 /nfs/dbraw/zinc/67/97/44/805679744.db2.gz LGOZBNJDVFKUGV-LLVKDONJSA-N 1 2 296.396 0.887 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001230860444 805679747 /nfs/dbraw/zinc/67/97/47/805679747.db2.gz LGOZBNJDVFKUGV-LLVKDONJSA-N 1 2 296.396 0.887 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230939017 805694241 /nfs/dbraw/zinc/69/42/41/805694241.db2.gz RFHOWJIPYLHNDH-CHWSQXEVSA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230939017 805694245 /nfs/dbraw/zinc/69/42/45/805694245.db2.gz RFHOWJIPYLHNDH-CHWSQXEVSA-N 1 2 268.357 0.204 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)C(=O)NC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231104013 805728888 /nfs/dbraw/zinc/72/88/88/805728888.db2.gz VFUWYWFTRZMWCG-GAAPNJIFSA-N 1 2 286.331 0.921 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)C(=O)NC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231104013 805728893 /nfs/dbraw/zinc/72/88/93/805728893.db2.gz VFUWYWFTRZMWCG-GAAPNJIFSA-N 1 2 286.331 0.921 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001231121727 805734358 /nfs/dbraw/zinc/73/43/58/805734358.db2.gz HLJYSSGXUXDJBJ-WDEREUQCSA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001231121727 805734364 /nfs/dbraw/zinc/73/43/64/805734364.db2.gz HLJYSSGXUXDJBJ-WDEREUQCSA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001231227439 805755423 /nfs/dbraw/zinc/75/54/23/805755423.db2.gz ZCTNNRJCBHVDFU-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001231227439 805755430 /nfs/dbraw/zinc/75/54/30/805755430.db2.gz ZCTNNRJCBHVDFU-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCCOCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001277706823 805973743 /nfs/dbraw/zinc/97/37/43/805973743.db2.gz JNMCAKVWJWHMTG-UHFFFAOYSA-N 1 2 256.346 0.368 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001277714775 805980553 /nfs/dbraw/zinc/98/05/53/805980553.db2.gz OEGCVKAKLGZKFX-CYBMUJFWSA-N 1 2 281.400 0.853 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001266937151 791373088 /nfs/dbraw/zinc/37/30/88/791373088.db2.gz CWLFDKPCZROWNY-MNOVXSKESA-N 1 2 296.396 0.733 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001267204700 791669826 /nfs/dbraw/zinc/66/98/26/791669826.db2.gz JOIYQJZUYBHTKC-MELADBBJSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001267204700 791669828 /nfs/dbraw/zinc/66/98/28/791669828.db2.gz JOIYQJZUYBHTKC-MELADBBJSA-N 1 2 291.395 0.220 20 30 CCEDLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267225266 791702225 /nfs/dbraw/zinc/70/22/25/791702225.db2.gz SIXGIGGYSMDTFW-IUODEOHRSA-N 1 2 294.399 0.356 20 30 CCEDLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267225266 791702231 /nfs/dbraw/zinc/70/22/31/791702231.db2.gz SIXGIGGYSMDTFW-IUODEOHRSA-N 1 2 294.399 0.356 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233683557 806106842 /nfs/dbraw/zinc/10/68/42/806106842.db2.gz RUHKIKGUPCZVAA-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233683557 806106847 /nfs/dbraw/zinc/10/68/47/806106847.db2.gz RUHKIKGUPCZVAA-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233948454 806156193 /nfs/dbraw/zinc/15/61/93/806156193.db2.gz WBDWXUQXDKWSRQ-VXGBXAGGSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233948454 806156197 /nfs/dbraw/zinc/15/61/97/806156197.db2.gz WBDWXUQXDKWSRQ-VXGBXAGGSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001233956113 806156578 /nfs/dbraw/zinc/15/65/78/806156578.db2.gz AKJUGOFCNXEXAQ-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001233956113 806156581 /nfs/dbraw/zinc/15/65/81/806156581.db2.gz AKJUGOFCNXEXAQ-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1ccon1 ZINC001234146615 806190270 /nfs/dbraw/zinc/19/02/70/806190270.db2.gz MLGUJYSLMNWIEU-UHFFFAOYSA-N 1 2 282.369 0.869 20 30 CCEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1ccon1 ZINC001234146615 806190272 /nfs/dbraw/zinc/19/02/72/806190272.db2.gz MLGUJYSLMNWIEU-UHFFFAOYSA-N 1 2 282.369 0.869 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205944 806203902 /nfs/dbraw/zinc/20/39/02/806203902.db2.gz MPPWYUVSKVUDNN-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205944 806203908 /nfs/dbraw/zinc/20/39/08/806203908.db2.gz MPPWYUVSKVUDNN-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)CC(C)C ZINC001267245359 793238062 /nfs/dbraw/zinc/23/80/62/793238062.db2.gz FNUPELGYDWBLOD-UHFFFAOYSA-N 1 2 288.413 0.129 20 30 CCEDLO C#CC[N@@H+](CC)CCNC(=O)CS(=O)(=O)CC(C)C ZINC001267245359 793238071 /nfs/dbraw/zinc/23/80/71/793238071.db2.gz FNUPELGYDWBLOD-UHFFFAOYSA-N 1 2 288.413 0.129 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468427 806252347 /nfs/dbraw/zinc/25/23/47/806252347.db2.gz ZJIBANWPWJPACA-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468427 806252355 /nfs/dbraw/zinc/25/23/55/806252355.db2.gz ZJIBANWPWJPACA-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234604578 806283484 /nfs/dbraw/zinc/28/34/84/806283484.db2.gz QZFMQLZVDIZJIQ-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234604578 806283490 /nfs/dbraw/zinc/28/34/90/806283490.db2.gz QZFMQLZVDIZJIQ-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO N#CC1(C(=O)N2CCC23C[NH+](C2CC2)C3)CCOCC1 ZINC001277920156 806367427 /nfs/dbraw/zinc/36/74/27/806367427.db2.gz UONPILGCNWYJGD-UHFFFAOYSA-N 1 2 275.352 0.756 20 30 CCEDLO CN(C)C(=O)CN1CC2(C1)CCC[N@H+](CCC#N)C2 ZINC001277939584 806412858 /nfs/dbraw/zinc/41/28/58/806412858.db2.gz YIQDMEKYNXBYPT-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO CN(C)C(=O)CN1CC2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277939584 806412859 /nfs/dbraw/zinc/41/28/59/806412859.db2.gz YIQDMEKYNXBYPT-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO N#CCc1ccccc1C[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001235526563 806445602 /nfs/dbraw/zinc/44/56/02/806445602.db2.gz DOUZAJFUZIYDRC-UHFFFAOYSA-N 1 2 284.363 0.369 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c2cc(C#N)ccc21 ZINC001237473691 806672501 /nfs/dbraw/zinc/67/25/01/806672501.db2.gz RILXXACCFFDVQB-HNNXBMFYSA-N 1 2 298.346 0.736 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c2cc(C#N)ccc21 ZINC001237473691 806672507 /nfs/dbraw/zinc/67/25/07/806672507.db2.gz RILXXACCFFDVQB-HNNXBMFYSA-N 1 2 298.346 0.736 20 30 CCEDLO C[C@@H](C(=O)OCc1c[nH+]cn1C)n1cnc(C#N)n1 ZINC001122643976 799280341 /nfs/dbraw/zinc/28/03/41/799280341.db2.gz NKOLUCQFDZYLSP-QMMMGPOBSA-N 1 2 260.257 0.188 20 30 CCEDLO CC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CC(CC#N)C1)O2 ZINC001278169627 806735813 /nfs/dbraw/zinc/73/58/13/806735813.db2.gz WFTUQDPYTCCKJO-LBPRGKRZSA-N 1 2 263.341 0.612 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123799350 799477504 /nfs/dbraw/zinc/47/75/04/799477504.db2.gz QGKGCGWWTPDVLH-QMMMGPOBSA-N 1 2 283.357 0.402 20 30 CCEDLO COCC#CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001123970871 799520432 /nfs/dbraw/zinc/52/04/32/799520432.db2.gz BEMCTFBFCXAKLX-UHFFFAOYSA-N 1 2 251.286 0.002 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001149989893 800311481 /nfs/dbraw/zinc/31/14/81/800311481.db2.gz PROIWUINBOYQEW-LLVKDONJSA-N 1 2 278.287 0.549 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001149989893 800311485 /nfs/dbraw/zinc/31/14/85/800311485.db2.gz PROIWUINBOYQEW-LLVKDONJSA-N 1 2 278.287 0.549 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001150298634 800329681 /nfs/dbraw/zinc/32/96/81/800329681.db2.gz HOBSBKNRRDNXQI-GFCCVEGCSA-N 1 2 295.383 0.035 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001150298634 800329688 /nfs/dbraw/zinc/32/96/88/800329688.db2.gz HOBSBKNRRDNXQI-GFCCVEGCSA-N 1 2 295.383 0.035 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001153134986 800601004 /nfs/dbraw/zinc/60/10/04/800601004.db2.gz KNXLDTFCWDFUBO-SECBINFHSA-N 1 2 268.317 0.175 20 30 CCEDLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)c(/C=N/O)c1 ZINC001155198076 800929768 /nfs/dbraw/zinc/92/97/68/800929768.db2.gz WGTMXKMZSKTQIC-QFULYMJESA-N 1 2 264.329 0.941 20 30 CCEDLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c(/C=N/O)c1 ZINC001155198076 800929772 /nfs/dbraw/zinc/92/97/72/800929772.db2.gz WGTMXKMZSKTQIC-QFULYMJESA-N 1 2 264.329 0.941 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc(C#N)ccc2[N+](=O)[O-])C1 ZINC001155196938 800929782 /nfs/dbraw/zinc/92/97/82/800929782.db2.gz QOBZYIRZPFYLSF-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc(C#N)ccc2[N+](=O)[O-])C1 ZINC001155196938 800929788 /nfs/dbraw/zinc/92/97/88/800929788.db2.gz QOBZYIRZPFYLSF-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc3c(cc2C#N)COCC3)C1 ZINC001155201461 800931219 /nfs/dbraw/zinc/93/12/19/800931219.db2.gz FAJPLBFLEZLREJ-ZDUSSCGKSA-N 1 2 288.351 0.768 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc3c(cc2C#N)COCC3)C1 ZINC001155201461 800931221 /nfs/dbraw/zinc/93/12/21/800931221.db2.gz FAJPLBFLEZLREJ-ZDUSSCGKSA-N 1 2 288.351 0.768 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001157172012 801319081 /nfs/dbraw/zinc/31/90/81/801319081.db2.gz JISPYSNCUMIQLC-NWDGAFQWSA-N 1 2 288.413 0.127 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001157172012 801319085 /nfs/dbraw/zinc/31/90/85/801319085.db2.gz JISPYSNCUMIQLC-NWDGAFQWSA-N 1 2 288.413 0.127 20 30 CCEDLO N#Cc1cncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157580985 801426964 /nfs/dbraw/zinc/42/69/64/801426964.db2.gz STZGBOWAWBMPCQ-SNVBAGLBSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cncc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157580985 801426971 /nfs/dbraw/zinc/42/69/71/801426971.db2.gz STZGBOWAWBMPCQ-SNVBAGLBSA-N 1 2 259.313 0.623 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N(CCC#N)Cc1cccnc1 ZINC001157720759 801463247 /nfs/dbraw/zinc/46/32/47/801463247.db2.gz PCVOIDWVHTTWED-LBPRGKRZSA-N 1 2 290.323 0.214 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(C)cc1C#N ZINC001157770534 801477313 /nfs/dbraw/zinc/47/73/13/801477313.db2.gz LQDZRVCPQIIPJM-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(C)cc1C#N ZINC001157770534 801477318 /nfs/dbraw/zinc/47/73/18/801477318.db2.gz LQDZRVCPQIIPJM-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO N#Cc1cc2c(nc1-n1[nH]c(=O)nc1C[NH3+])CCC2 ZINC001157940883 801533599 /nfs/dbraw/zinc/53/35/99/801533599.db2.gz KYCCJHKYAJUASZ-UHFFFAOYSA-N 1 2 256.269 0.187 20 30 CCEDLO CC[C@@H](CC#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001255172708 808326184 /nfs/dbraw/zinc/32/61/84/808326184.db2.gz RNJLLPPBNRHHQS-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC(=O)N(C4CC4)C(=O)C3)c12 ZINC001164184040 802683926 /nfs/dbraw/zinc/68/39/26/802683926.db2.gz KHJOYSOEUBHYIJ-UHFFFAOYSA-N 1 2 295.302 0.772 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC001164302263 802714442 /nfs/dbraw/zinc/71/44/42/802714442.db2.gz PVUNAMQNQAEZAO-IUCAKERBSA-N 1 2 291.267 0.177 20 30 CCEDLO COc1cccc2c1ncnc2N1CC[NH2+]C[C@H]1C#N ZINC001164641255 802774105 /nfs/dbraw/zinc/77/41/05/802774105.db2.gz IURQQENGSVAJGD-SNVBAGLBSA-N 1 2 269.308 0.940 20 30 CCEDLO N#CCNCC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474638 802908003 /nfs/dbraw/zinc/90/80/03/802908003.db2.gz SUWCTFSXHJCDBY-UHFFFAOYSA-N 1 2 275.356 0.673 20 30 CCEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206640091 803276622 /nfs/dbraw/zinc/27/66/22/803276622.db2.gz DNCPEXXAFLEJAR-DMDPSCGWSA-N 1 2 290.371 0.394 20 30 CCEDLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206640091 803276626 /nfs/dbraw/zinc/27/66/26/803276626.db2.gz DNCPEXXAFLEJAR-DMDPSCGWSA-N 1 2 290.371 0.394 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)C1CC1 ZINC001206765611 803284184 /nfs/dbraw/zinc/28/41/84/803284184.db2.gz BQVISZQNKXMBCC-NQBHXWOUSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C1CC1 ZINC001206765611 803284186 /nfs/dbraw/zinc/28/41/86/803284186.db2.gz BQVISZQNKXMBCC-NQBHXWOUSA-N 1 2 292.383 0.109 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038428267 813908754 /nfs/dbraw/zinc/90/87/54/813908754.db2.gz WQZXJGCDOBQYCH-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038428267 813908760 /nfs/dbraw/zinc/90/87/60/813908760.db2.gz WQZXJGCDOBQYCH-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001206938166 803311665 /nfs/dbraw/zinc/31/16/65/803311665.db2.gz KBLQJCZQQOBERZ-TZMCWYRMSA-N 1 2 289.383 0.411 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001206938166 803311669 /nfs/dbraw/zinc/31/16/69/803311669.db2.gz KBLQJCZQQOBERZ-TZMCWYRMSA-N 1 2 289.383 0.411 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001271269923 814361646 /nfs/dbraw/zinc/36/16/46/814361646.db2.gz MOWJZRRSXISSKQ-UHFFFAOYSA-N 1 2 274.324 0.239 20 30 CCEDLO C=CCN(CC[NH+]1CC(C(=O)OC)C1)C(=O)OCC ZINC001209015889 803562240 /nfs/dbraw/zinc/56/22/40/803562240.db2.gz BBDBIPTVENOWMN-UHFFFAOYSA-N 1 2 270.329 0.736 20 30 CCEDLO C=C(C)C(=O)OC[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210206298 803642084 /nfs/dbraw/zinc/64/20/84/803642084.db2.gz BGOQMOHGLHOENV-GFCCVEGCSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213271279 803688156 /nfs/dbraw/zinc/68/81/56/803688156.db2.gz QPYMZYHDEYXESA-QJPTWQEYSA-N 1 2 297.399 0.149 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213271279 803688160 /nfs/dbraw/zinc/68/81/60/803688160.db2.gz QPYMZYHDEYXESA-QJPTWQEYSA-N 1 2 297.399 0.149 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603176 814967865 /nfs/dbraw/zinc/96/78/65/814967865.db2.gz BYXBKMQXQOUAER-WOPDTQHZSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603176 814967868 /nfs/dbraw/zinc/96/78/68/814967868.db2.gz BYXBKMQXQOUAER-WOPDTQHZSA-N 1 2 299.802 0.796 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]21 ZINC001217510864 803893634 /nfs/dbraw/zinc/89/36/34/803893634.db2.gz TWUJPSMCIGRBIH-RWMBFGLXSA-N 1 2 295.383 0.128 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]21 ZINC001217510864 803893640 /nfs/dbraw/zinc/89/36/40/803893640.db2.gz TWUJPSMCIGRBIH-RWMBFGLXSA-N 1 2 295.383 0.128 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CSC)[C@H]2C1 ZINC001217537843 803894306 /nfs/dbraw/zinc/89/43/06/803894306.db2.gz KTAOVONEVPOWSF-RWMBFGLXSA-N 1 2 282.409 0.530 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CSC)[C@H]2C1 ZINC001217537843 803894317 /nfs/dbraw/zinc/89/43/17/803894317.db2.gz KTAOVONEVPOWSF-RWMBFGLXSA-N 1 2 282.409 0.530 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001219205220 804235507 /nfs/dbraw/zinc/23/55/07/804235507.db2.gz YWOTZWHMCMWOCO-XQQFMLRXSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001219205220 804235512 /nfs/dbraw/zinc/23/55/12/804235512.db2.gz YWOTZWHMCMWOCO-XQQFMLRXSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219332867 804274993 /nfs/dbraw/zinc/27/49/93/804274993.db2.gz JBAAWCZEFBLHJC-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219332867 804275000 /nfs/dbraw/zinc/27/50/00/804275000.db2.gz JBAAWCZEFBLHJC-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219482062 804325897 /nfs/dbraw/zinc/32/58/97/804325897.db2.gz JIMVVSYRAHCGQR-NEPJUHHUSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219482062 804325904 /nfs/dbraw/zinc/32/59/04/804325904.db2.gz JIMVVSYRAHCGQR-NEPJUHHUSA-N 1 2 256.321 0.311 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C1 ZINC001220160186 804521434 /nfs/dbraw/zinc/52/14/34/804521434.db2.gz ZTBRZKWVMYHFEW-CABCVRRESA-N 1 2 294.395 0.544 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C1 ZINC001220160186 804521438 /nfs/dbraw/zinc/52/14/38/804521438.db2.gz ZTBRZKWVMYHFEW-CABCVRRESA-N 1 2 294.395 0.544 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221148232 804735104 /nfs/dbraw/zinc/73/51/04/804735104.db2.gz VOKQHFLXSHYHQM-KFWWJZLASA-N 1 2 296.411 0.622 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221148232 804735111 /nfs/dbraw/zinc/73/51/11/804735111.db2.gz VOKQHFLXSHYHQM-KFWWJZLASA-N 1 2 296.411 0.622 20 30 CCEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221291648 804766838 /nfs/dbraw/zinc/76/68/38/804766838.db2.gz OZJMMNCFKSHUNY-GHMZBOCLSA-N 1 2 271.361 0.745 20 30 CCEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221291648 804766841 /nfs/dbraw/zinc/76/68/41/804766841.db2.gz OZJMMNCFKSHUNY-GHMZBOCLSA-N 1 2 271.361 0.745 20 30 CCEDLO C=C1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001221816740 804847805 /nfs/dbraw/zinc/84/78/05/804847805.db2.gz DKZLANARCDDFHK-GFCCVEGCSA-N 1 2 252.362 0.204 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221837731 804849656 /nfs/dbraw/zinc/84/96/56/804849656.db2.gz BJZTYHUMNMBSOR-JHJVBQTASA-N 1 2 293.411 0.995 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221837731 804849663 /nfs/dbraw/zinc/84/96/63/804849663.db2.gz BJZTYHUMNMBSOR-JHJVBQTASA-N 1 2 293.411 0.995 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221965359 804856556 /nfs/dbraw/zinc/85/65/56/804856556.db2.gz QSCSHTWIIDUXDP-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221965359 804856564 /nfs/dbraw/zinc/85/65/64/804856564.db2.gz QSCSHTWIIDUXDP-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc(C#N)n2)C[N@@H+]1C ZINC001223061196 804952307 /nfs/dbraw/zinc/95/23/07/804952307.db2.gz FXUWEZGEZUOGRR-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc(C#N)n2)C[N@H+]1C ZINC001223061196 804952313 /nfs/dbraw/zinc/95/23/13/804952313.db2.gz FXUWEZGEZUOGRR-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001276866336 804956657 /nfs/dbraw/zinc/95/66/57/804956657.db2.gz BXRWSGNWEWLCLS-MOKVOYLWSA-N 1 2 280.368 0.252 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001276866336 804956661 /nfs/dbraw/zinc/95/66/61/804956661.db2.gz BXRWSGNWEWLCLS-MOKVOYLWSA-N 1 2 280.368 0.252 20 30 CCEDLO COc1cnc(=S)[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226244702 805208691 /nfs/dbraw/zinc/20/86/91/805208691.db2.gz DOILOSMKFWXHBX-ZTEPNEHBSA-N 1 2 295.364 0.765 20 30 CCEDLO COc1cnc(=S)[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226244702 805208698 /nfs/dbraw/zinc/20/86/98/805208698.db2.gz DOILOSMKFWXHBX-ZTEPNEHBSA-N 1 2 295.364 0.765 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=S)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227383849 805345411 /nfs/dbraw/zinc/34/54/11/805345411.db2.gz SDKTUZBHAWCLIV-TZYSGJHYSA-N 1 2 283.328 0.896 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=S)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227383849 805345419 /nfs/dbraw/zinc/34/54/19/805345419.db2.gz SDKTUZBHAWCLIV-TZYSGJHYSA-N 1 2 283.328 0.896 20 30 CCEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2ccnnc2)C3)C1 ZINC001277215127 805359851 /nfs/dbraw/zinc/35/98/51/805359851.db2.gz XCRCXLJPQCBUCZ-CQSZACIVSA-N 1 2 297.362 0.671 20 30 CCEDLO COC(=O)c1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1 ZINC001228773845 805479130 /nfs/dbraw/zinc/47/91/30/805479130.db2.gz QYBVTAIXZBCZAK-YZCVJGAOSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1 ZINC001228773845 805479133 /nfs/dbraw/zinc/47/91/33/805479133.db2.gz QYBVTAIXZBCZAK-YZCVJGAOSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CN1 ZINC001246695755 807359595 /nfs/dbraw/zinc/35/95/95/807359595.db2.gz QGWZHVKDEGKZJS-GRYCIOLGSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CN1 ZINC001246695755 807359605 /nfs/dbraw/zinc/35/96/05/807359605.db2.gz QGWZHVKDEGKZJS-GRYCIOLGSA-N 1 2 296.392 0.554 20 30 CCEDLO CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278500561 807507428 /nfs/dbraw/zinc/50/74/28/807507428.db2.gz MSVTUHXEHGZPIA-QWHCGFSZSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278500561 807507430 /nfs/dbraw/zinc/50/74/30/807507430.db2.gz MSVTUHXEHGZPIA-QWHCGFSZSA-N 1 2 294.399 0.785 20 30 CCEDLO N#Cc1cc(O)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251028505 807647596 /nfs/dbraw/zinc/64/75/96/807647596.db2.gz HIPARBHNSMBGSY-CYBMUJFWSA-N 1 2 277.324 0.369 20 30 CCEDLO CCC[C@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251042298 807653286 /nfs/dbraw/zinc/65/32/86/807653286.db2.gz VYRBWCYKAYNQRG-CHWSQXEVSA-N 1 2 255.362 0.351 20 30 CCEDLO COCCc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126827960 815140952 /nfs/dbraw/zinc/14/09/52/815140952.db2.gz HJEPAMHLECMBHE-UHFFFAOYSA-N 1 2 294.355 0.124 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251852020 807721446 /nfs/dbraw/zinc/72/14/46/807721446.db2.gz YHVCQEZRXSCNEN-UKRRQHHQSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251852020 807721450 /nfs/dbraw/zinc/72/14/50/807721450.db2.gz YHVCQEZRXSCNEN-UKRRQHHQSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001251880557 807731279 /nfs/dbraw/zinc/73/12/79/807731279.db2.gz BOBWONXTSAMCOO-LBPRGKRZSA-N 1 2 269.341 0.463 20 30 CCEDLO C=CCOC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252455167 807871749 /nfs/dbraw/zinc/87/17/49/807871749.db2.gz XSOQQQBXFWCNQG-SECBINFHSA-N 1 2 263.301 0.339 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC001252460476 807872359 /nfs/dbraw/zinc/87/23/59/807872359.db2.gz FFNAXAIRZGMIQY-GFCCVEGCSA-N 1 2 276.340 0.725 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC001252460476 807872366 /nfs/dbraw/zinc/87/23/66/807872366.db2.gz FFNAXAIRZGMIQY-GFCCVEGCSA-N 1 2 276.340 0.725 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252465229 807877413 /nfs/dbraw/zinc/87/74/13/807877413.db2.gz DOMXQWGVQUWPJE-AWEZNQCLSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252465229 807877419 /nfs/dbraw/zinc/87/74/19/807877419.db2.gz DOMXQWGVQUWPJE-AWEZNQCLSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252596631 807917522 /nfs/dbraw/zinc/91/75/22/807917522.db2.gz QZCVYEVIQXDGKZ-DGCLKSJQSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252596631 807917527 /nfs/dbraw/zinc/91/75/27/807917527.db2.gz QZCVYEVIQXDGKZ-DGCLKSJQSA-N 1 2 280.372 0.688 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N[C@@H](C#N)CC)CC1 ZINC001254397505 808233766 /nfs/dbraw/zinc/23/37/66/808233766.db2.gz PCFICGFJEAICPE-LLVKDONJSA-N 1 2 253.346 0.906 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001255327919 808344919 /nfs/dbraw/zinc/34/49/19/808344919.db2.gz PBABBWRRRWGDPE-QWRGUYRKSA-N 1 2 264.329 0.698 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)NC1(C#N)CCC1 ZINC001255582285 808409029 /nfs/dbraw/zinc/40/90/29/808409029.db2.gz WHUXMZQDKGJGNY-VHSXEESVSA-N 1 2 276.344 0.417 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)OCC)C2)CC1 ZINC001256037787 808456321 /nfs/dbraw/zinc/45/63/21/808456321.db2.gz JCFLYEUSUZPNAI-ZDUSSCGKSA-N 1 2 265.357 0.468 20 30 CCEDLO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CC[C@@H]3C2)ccc1F ZINC001259417934 808757778 /nfs/dbraw/zinc/75/77/78/808757778.db2.gz ISMWGOSYNSZKCO-LLVKDONJSA-N 1 2 295.339 0.776 20 30 CCEDLO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3CC[C@@H]3C2)ccc1F ZINC001259417934 808757784 /nfs/dbraw/zinc/75/77/84/808757784.db2.gz ISMWGOSYNSZKCO-LLVKDONJSA-N 1 2 295.339 0.776 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001076119643 815245842 /nfs/dbraw/zinc/24/58/42/815245842.db2.gz PFMHNNOMROTUOB-NWDGAFQWSA-N 1 2 273.340 0.283 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001076119643 815245845 /nfs/dbraw/zinc/24/58/45/815245845.db2.gz PFMHNNOMROTUOB-NWDGAFQWSA-N 1 2 273.340 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)[C@@H](O)C1 ZINC001083543122 815251598 /nfs/dbraw/zinc/25/15/98/815251598.db2.gz HAIDYWZSHHQKHM-OLZOCXBDSA-N 1 2 293.754 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)[C@@H](O)C1 ZINC001083543122 815251602 /nfs/dbraw/zinc/25/16/02/815251602.db2.gz HAIDYWZSHHQKHM-OLZOCXBDSA-N 1 2 293.754 0.452 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038500889 815257834 /nfs/dbraw/zinc/25/78/34/815257834.db2.gz AZVVNCXQVNQBHL-NFAWXSAZSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038500889 815257836 /nfs/dbraw/zinc/25/78/36/815257836.db2.gz AZVVNCXQVNQBHL-NFAWXSAZSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001262187626 809232040 /nfs/dbraw/zinc/23/20/40/809232040.db2.gz RROQZCUYIBQCSF-ZDUSSCGKSA-N 1 2 287.363 0.822 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896161 809602145 /nfs/dbraw/zinc/60/21/45/809602145.db2.gz QJIZYIQIYKXESD-FZMZJTMJSA-N 1 2 278.356 0.785 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896161 809602148 /nfs/dbraw/zinc/60/21/48/809602148.db2.gz QJIZYIQIYKXESD-FZMZJTMJSA-N 1 2 278.356 0.785 20 30 CCEDLO C#CCCCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001265258557 809733090 /nfs/dbraw/zinc/73/30/90/809733090.db2.gz LZJXQDFYEFAFKS-UHFFFAOYSA-N 1 2 269.364 0.493 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001265297572 809749842 /nfs/dbraw/zinc/74/98/42/809749842.db2.gz TWRLKTWXFBSLPC-XJKSGUPXSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001265297572 809749846 /nfs/dbraw/zinc/74/98/46/809749846.db2.gz TWRLKTWXFBSLPC-XJKSGUPXSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001265299258 809750492 /nfs/dbraw/zinc/75/04/92/809750492.db2.gz LRZKTNXXFSMBLL-XMRSSTEGSA-N 1 2 289.379 0.449 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001265299258 809750494 /nfs/dbraw/zinc/75/04/94/809750494.db2.gz LRZKTNXXFSMBLL-XMRSSTEGSA-N 1 2 289.379 0.449 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001265400980 809771632 /nfs/dbraw/zinc/77/16/32/809771632.db2.gz IGFIYWHIHQLGJD-UPJWGTAASA-N 1 2 279.384 0.762 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001265400980 809771637 /nfs/dbraw/zinc/77/16/37/809771637.db2.gz IGFIYWHIHQLGJD-UPJWGTAASA-N 1 2 279.384 0.762 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CSCC#N)o1 ZINC001265754340 809839949 /nfs/dbraw/zinc/83/99/49/809839949.db2.gz CFRQDUDHRZCTQC-DTWKUNHWSA-N 1 2 297.384 0.790 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCCF ZINC001280411866 810016777 /nfs/dbraw/zinc/01/67/77/810016777.db2.gz DPLFCTRODBUTDJ-GFCCVEGCSA-N 1 2 256.321 0.576 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCCF ZINC001280411866 810016782 /nfs/dbraw/zinc/01/67/82/810016782.db2.gz DPLFCTRODBUTDJ-GFCCVEGCSA-N 1 2 256.321 0.576 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001076971521 815425390 /nfs/dbraw/zinc/42/53/90/815425390.db2.gz HMIIRSDYOJLBJO-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001076971521 815425392 /nfs/dbraw/zinc/42/53/92/815425392.db2.gz HMIIRSDYOJLBJO-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001038280710 811160668 /nfs/dbraw/zinc/16/06/68/811160668.db2.gz JFMPAKNQDUNWKW-CYBMUJFWSA-N 1 2 298.346 0.962 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001038280710 811160673 /nfs/dbraw/zinc/16/06/73/811160673.db2.gz JFMPAKNQDUNWKW-CYBMUJFWSA-N 1 2 298.346 0.962 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001077036856 815433826 /nfs/dbraw/zinc/43/38/26/815433826.db2.gz MSNOYOBMOOSHSN-ZIAGYGMSSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001077036856 815433829 /nfs/dbraw/zinc/43/38/29/815433829.db2.gz MSNOYOBMOOSHSN-ZIAGYGMSSA-N 1 2 284.315 0.841 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC=C ZINC001267396928 811284393 /nfs/dbraw/zinc/28/43/93/811284393.db2.gz GSEKCSNRZXGQFU-OKILXGFUSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC=C ZINC001267396928 811284399 /nfs/dbraw/zinc/28/43/99/811284399.db2.gz GSEKCSNRZXGQFU-OKILXGFUSA-N 1 2 291.395 0.930 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](O)C1 ZINC001083560344 815435567 /nfs/dbraw/zinc/43/55/67/815435567.db2.gz AVWBZWBRCCPANL-CABCVRRESA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](O)C1 ZINC001083560344 815435572 /nfs/dbraw/zinc/43/55/72/815435572.db2.gz AVWBZWBRCCPANL-CABCVRRESA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC)C2)nn1 ZINC001098588210 811373634 /nfs/dbraw/zinc/37/36/34/811373634.db2.gz HUYBXTUTPNMJLJ-LBPRGKRZSA-N 1 2 261.329 0.184 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098589358 811382775 /nfs/dbraw/zinc/38/27/75/811382775.db2.gz VBMNCKGOFJZCQX-CYBMUJFWSA-N 1 2 275.356 0.574 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001098168131 811505432 /nfs/dbraw/zinc/50/54/32/811505432.db2.gz UOMPTTPUGMMLQJ-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001267676110 811640291 /nfs/dbraw/zinc/64/02/91/811640291.db2.gz CRRJOQBRALELOC-JTQLQIEISA-N 1 2 292.339 0.027 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COCCOC)C1 ZINC001267678525 811643241 /nfs/dbraw/zinc/64/32/41/811643241.db2.gz GCNBNAMGWCMRJO-UHFFFAOYSA-N 1 2 276.764 0.450 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267679943 811645567 /nfs/dbraw/zinc/64/55/67/811645567.db2.gz DFBZJCMMMUJERL-ZDUSSCGKSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001038340637 811653161 /nfs/dbraw/zinc/65/31/61/811653161.db2.gz RLYJOEDGUBHIKV-JSGCOSHPSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001038340637 811653166 /nfs/dbraw/zinc/65/31/66/811653166.db2.gz RLYJOEDGUBHIKV-JSGCOSHPSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC[C@H](C)CC)C1 ZINC001267694656 811661054 /nfs/dbraw/zinc/66/10/54/811661054.db2.gz GRSPNZVHOZHHLR-CYBMUJFWSA-N 1 2 293.411 0.610 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721176 811685636 /nfs/dbraw/zinc/68/56/36/811685636.db2.gz MHHUHKWNONGKRL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721176 811685640 /nfs/dbraw/zinc/68/56/40/811685640.db2.gz MHHUHKWNONGKRL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2nccs2)C1 ZINC001267731884 811702527 /nfs/dbraw/zinc/70/25/27/811702527.db2.gz XTVUYHWTLVDVAG-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2nccs2)C1 ZINC001267731884 811702531 /nfs/dbraw/zinc/70/25/31/811702531.db2.gz XTVUYHWTLVDVAG-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077310031 815478854 /nfs/dbraw/zinc/47/88/54/815478854.db2.gz STAZQLOIZZXWEB-VXGBXAGGSA-N 1 2 287.319 0.789 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077310031 815478859 /nfs/dbraw/zinc/47/88/59/815478859.db2.gz STAZQLOIZZXWEB-VXGBXAGGSA-N 1 2 287.319 0.789 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001038684616 811962079 /nfs/dbraw/zinc/96/20/79/811962079.db2.gz OVZMBAQDEDWMJB-NWDGAFQWSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001038684616 811962083 /nfs/dbraw/zinc/96/20/83/811962083.db2.gz OVZMBAQDEDWMJB-NWDGAFQWSA-N 1 2 272.352 0.653 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(COC)CC2)C1 ZINC001268023299 811979842 /nfs/dbraw/zinc/97/98/42/811979842.db2.gz IGDLJFSIFQEVAV-LBPRGKRZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(COC)CC2)C1 ZINC001268023299 811979850 /nfs/dbraw/zinc/97/98/50/811979850.db2.gz IGDLJFSIFQEVAV-LBPRGKRZSA-N 1 2 268.357 0.416 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)nc2)C[N@@H+]1C ZINC001222966719 812054064 /nfs/dbraw/zinc/05/40/64/812054064.db2.gz RQCCDVOFNGQBTL-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)nc2)C[N@H+]1C ZINC001222966719 812054073 /nfs/dbraw/zinc/05/40/73/812054073.db2.gz RQCCDVOFNGQBTL-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001038782718 812076799 /nfs/dbraw/zinc/07/67/99/812076799.db2.gz QPWDAQDPYPYGNQ-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001038782718 812076806 /nfs/dbraw/zinc/07/68/06/812076806.db2.gz QPWDAQDPYPYGNQ-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001083320049 812270094 /nfs/dbraw/zinc/27/00/94/812270094.db2.gz USGFWWSNJLYVOH-MNOVXSKESA-N 1 2 264.350 0.546 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001083320049 812270098 /nfs/dbraw/zinc/27/00/98/812270098.db2.gz USGFWWSNJLYVOH-MNOVXSKESA-N 1 2 264.350 0.546 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001268183367 812349092 /nfs/dbraw/zinc/34/90/92/812349092.db2.gz YYZFDYNSFLAEKU-QWHCGFSZSA-N 1 2 275.356 0.623 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268323336 812486529 /nfs/dbraw/zinc/48/65/29/812486529.db2.gz MTBINXDLKKXTLO-BXUZGUMPSA-N 1 2 296.371 0.547 20 30 CCEDLO C[C@H](NC(=O)NCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000426435659 812804112 /nfs/dbraw/zinc/80/41/12/812804112.db2.gz DDFKLJOHGATBEI-QWRGUYRKSA-N 1 2 254.334 0.308 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083341039 812890315 /nfs/dbraw/zinc/89/03/15/812890315.db2.gz IDVCOLLFINPLRE-BDAKNGLRSA-N 1 2 270.716 0.894 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083341039 812890322 /nfs/dbraw/zinc/89/03/22/812890322.db2.gz IDVCOLLFINPLRE-BDAKNGLRSA-N 1 2 270.716 0.894 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083342732 812891803 /nfs/dbraw/zinc/89/18/03/812891803.db2.gz OCLDKNVAEXEHNC-ZJUUUORDSA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001083342732 812891810 /nfs/dbraw/zinc/89/18/10/812891810.db2.gz OCLDKNVAEXEHNC-ZJUUUORDSA-N 1 2 282.727 0.731 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001127027163 815564461 /nfs/dbraw/zinc/56/44/61/815564461.db2.gz KVHDOIKTZPIWEF-UHFFFAOYSA-N 1 2 279.340 0.483 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638293 813087071 /nfs/dbraw/zinc/08/70/71/813087071.db2.gz GAXZGHFPRQRIRG-OLZOCXBDSA-N 1 2 287.367 0.407 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001268992738 813171364 /nfs/dbraw/zinc/17/13/64/813171364.db2.gz CSFSZQHTIBDKQG-JTQLQIEISA-N 1 2 259.737 0.066 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001268992738 813171369 /nfs/dbraw/zinc/17/13/69/813171369.db2.gz CSFSZQHTIBDKQG-JTQLQIEISA-N 1 2 259.737 0.066 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001269199446 813260234 /nfs/dbraw/zinc/26/02/34/813260234.db2.gz FASUCMXWTMGXHW-STQMWFEESA-N 1 2 260.341 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001269199446 813260240 /nfs/dbraw/zinc/26/02/40/813260240.db2.gz FASUCMXWTMGXHW-STQMWFEESA-N 1 2 260.341 0.658 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001269218456 813272694 /nfs/dbraw/zinc/27/26/94/813272694.db2.gz YYXZCZQZTNKSMU-LLVKDONJSA-N 1 2 292.339 0.123 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001269218456 813272698 /nfs/dbraw/zinc/27/26/98/813272698.db2.gz YYXZCZQZTNKSMU-LLVKDONJSA-N 1 2 292.339 0.123 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)COC ZINC001269326605 813326036 /nfs/dbraw/zinc/32/60/36/813326036.db2.gz LEYGLNPQWSGZLG-ZIAGYGMSSA-N 1 2 282.384 0.499 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)COC ZINC001269326605 813326041 /nfs/dbraw/zinc/32/60/41/813326041.db2.gz LEYGLNPQWSGZLG-ZIAGYGMSSA-N 1 2 282.384 0.499 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001269755810 813493762 /nfs/dbraw/zinc/49/37/62/813493762.db2.gz YEMMARZODYRQHK-KGLIPLIRSA-N 1 2 282.384 0.757 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccnc(C#N)c3)C[C@@H]21 ZINC001270251371 813695902 /nfs/dbraw/zinc/69/59/02/813695902.db2.gz GOOMEPAFMTYIFG-KBPBESRZSA-N 1 2 286.335 0.037 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3ccnc(C#N)c3)C[C@@H]21 ZINC001270251371 813695905 /nfs/dbraw/zinc/69/59/05/813695905.db2.gz GOOMEPAFMTYIFG-KBPBESRZSA-N 1 2 286.335 0.037 20 30 CCEDLO CC(C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270529230 813798171 /nfs/dbraw/zinc/79/81/71/813798171.db2.gz JJMRINYMWYAXBU-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270529230 813798180 /nfs/dbraw/zinc/79/81/80/813798180.db2.gz JJMRINYMWYAXBU-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001270650842 813870950 /nfs/dbraw/zinc/87/09/50/813870950.db2.gz NMHGKEGKNBGPGG-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001270650842 813870959 /nfs/dbraw/zinc/87/09/59/813870959.db2.gz NMHGKEGKNBGPGG-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC2(O)CCC2)C1 ZINC001270650843 813871390 /nfs/dbraw/zinc/87/13/90/813871390.db2.gz NMHGKEGKNBGPGG-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CC2(O)CCC2)C1 ZINC001270650843 813871399 /nfs/dbraw/zinc/87/13/99/813871399.db2.gz NMHGKEGKNBGPGG-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nn1C ZINC001270716917 813904560 /nfs/dbraw/zinc/90/45/60/813904560.db2.gz ROUFUMOLROMHSR-OKILXGFUSA-N 1 2 286.379 0.927 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nn1C ZINC001270716917 813904561 /nfs/dbraw/zinc/90/45/61/813904561.db2.gz ROUFUMOLROMHSR-OKILXGFUSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CCOCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001270912883 814083476 /nfs/dbraw/zinc/08/34/76/814083476.db2.gz DDVDLVPQXKCHFW-JTQLQIEISA-N 1 2 282.344 0.517 20 30 CCEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1CC#N ZINC001087847381 814235063 /nfs/dbraw/zinc/23/50/63/814235063.db2.gz NRDZJGJVBQCPTC-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCc2ccnn2C)C1 ZINC001271297456 814370015 /nfs/dbraw/zinc/37/00/15/814370015.db2.gz DNBOGLRUKNYBBB-UHFFFAOYSA-N 1 2 292.383 0.092 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](OC)[C@H](C)CC)C1 ZINC001271311327 814375352 /nfs/dbraw/zinc/37/53/52/814375352.db2.gz DBTJUSPPKOQSRI-CHWSQXEVSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001271361147 814390853 /nfs/dbraw/zinc/39/08/53/814390853.db2.gz KIDFHBYEHFJCQS-ZDUSSCGKSA-N 1 2 298.427 0.913 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029570199 814437388 /nfs/dbraw/zinc/43/73/88/814437388.db2.gz OWFLTKPWNNJWII-OKILXGFUSA-N 1 2 287.367 0.551 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001127051308 815606300 /nfs/dbraw/zinc/60/63/00/815606300.db2.gz FQXYZMGDRGRQPN-MNOVXSKESA-N 1 2 294.355 0.437 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)nn2)CC1 ZINC001142073665 814587882 /nfs/dbraw/zinc/58/78/82/814587882.db2.gz XSDFGBHSWKEJBQ-UHFFFAOYSA-N 1 2 250.733 0.881 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001271984211 814663372 /nfs/dbraw/zinc/66/33/72/814663372.db2.gz ZXWNJPCDEGDZGI-AWEZNQCLSA-N 1 2 296.346 0.682 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001271984211 814663378 /nfs/dbraw/zinc/66/33/78/814663378.db2.gz ZXWNJPCDEGDZGI-AWEZNQCLSA-N 1 2 296.346 0.682 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001059665197 814695844 /nfs/dbraw/zinc/69/58/44/814695844.db2.gz FJNCZROTTNUJQA-PHIMTYICSA-N 1 2 297.322 0.304 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001280439948 814763784 /nfs/dbraw/zinc/76/37/84/814763784.db2.gz XMQCUJFFFYLFSX-LLVKDONJSA-N 1 2 278.356 0.882 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC001088551429 814875808 /nfs/dbraw/zinc/87/58/08/814875808.db2.gz BXNPJSGOEAWFML-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC001088551429 814875813 /nfs/dbraw/zinc/87/58/13/814875813.db2.gz BXNPJSGOEAWFML-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC001088560855 814901860 /nfs/dbraw/zinc/90/18/60/814901860.db2.gz MFCUNDDYDLUPQP-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC001088560855 814901863 /nfs/dbraw/zinc/90/18/63/814901863.db2.gz MFCUNDDYDLUPQP-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001127039593 815589523 /nfs/dbraw/zinc/58/95/23/815589523.db2.gz MPLMJNVTPHIZDG-NSHDSACASA-N 1 2 294.355 0.437 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001077446588 815656536 /nfs/dbraw/zinc/65/65/36/815656536.db2.gz NWNLNJXSTJOTIM-IJLUTSLNSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001077446588 815656539 /nfs/dbraw/zinc/65/65/39/815656539.db2.gz NWNLNJXSTJOTIM-IJLUTSLNSA-N 1 2 286.322 0.606 20 30 CCEDLO N#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)[nH]1 ZINC001030224650 815908964 /nfs/dbraw/zinc/90/89/64/815908964.db2.gz PVQJFVZHCWIENG-ZDUSSCGKSA-N 1 2 288.351 0.869 20 30 CCEDLO C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC001030225978 815910024 /nfs/dbraw/zinc/91/00/24/815910024.db2.gz LGVKNKUADITEST-ZWNOBZJWSA-N 1 2 288.351 0.868 20 30 CCEDLO C=CCN1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001030349329 815988367 /nfs/dbraw/zinc/98/83/67/815988367.db2.gz JKTWERDPQNXCAO-AWEZNQCLSA-N 1 2 289.383 0.776 20 30 CCEDLO C=CCN1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001030349329 815988370 /nfs/dbraw/zinc/98/83/70/815988370.db2.gz JKTWERDPQNXCAO-AWEZNQCLSA-N 1 2 289.383 0.776 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001030456511 816046527 /nfs/dbraw/zinc/04/65/27/816046527.db2.gz JSMYFRHIRCNKQU-OAHLLOKOSA-N 1 2 299.374 0.890 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001030519183 816083491 /nfs/dbraw/zinc/08/34/91/816083491.db2.gz MFPSTFCIWZXWKK-AWEZNQCLSA-N 1 2 265.357 0.279 20 30 CCEDLO C=C(C)CN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030553165 816104050 /nfs/dbraw/zinc/10/40/50/816104050.db2.gz UEUAELGYILGSCI-GFCCVEGCSA-N 1 2 274.368 0.822 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030553850 816105384 /nfs/dbraw/zinc/10/53/84/816105384.db2.gz CKNBIYGEKOAHQA-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001030635681 816172397 /nfs/dbraw/zinc/17/23/97/816172397.db2.gz CGYDINISSAZMRY-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001030702096 816236890 /nfs/dbraw/zinc/23/68/90/816236890.db2.gz OXICWYKOURIKIM-BJJPWKGXSA-N 1 2 260.337 0.234 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001030719588 816247994 /nfs/dbraw/zinc/24/79/94/816247994.db2.gz CUQLJTZKSCWKMJ-CHWSQXEVSA-N 1 2 274.368 0.900 20 30 CCEDLO COC(=O)CO[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048405 816267536 /nfs/dbraw/zinc/26/75/36/816267536.db2.gz FAFDPORBLHRPPF-NSHDSACASA-N 1 2 263.297 0.650 20 30 CCEDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048405 816267540 /nfs/dbraw/zinc/26/75/40/816267540.db2.gz FAFDPORBLHRPPF-NSHDSACASA-N 1 2 263.297 0.650 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992335674 816412945 /nfs/dbraw/zinc/41/29/45/816412945.db2.gz WXLRPCYCPGTMLO-FZMZJTMJSA-N 1 2 273.340 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992335674 816412949 /nfs/dbraw/zinc/41/29/49/816412949.db2.gz WXLRPCYCPGTMLO-FZMZJTMJSA-N 1 2 273.340 0.555 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001030919412 816435932 /nfs/dbraw/zinc/43/59/32/816435932.db2.gz TUMQHSCLSUVNHG-YPMHNXCESA-N 1 2 250.342 0.483 20 30 CCEDLO C#Cc1cncc(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)c1 ZINC001030928308 816448063 /nfs/dbraw/zinc/44/80/63/816448063.db2.gz NDVUJUBJVPNAGL-UHFFFAOYSA-N 1 2 295.346 0.411 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001030964197 816511988 /nfs/dbraw/zinc/51/19/88/816511988.db2.gz JBGWDRORPITXJS-UHFFFAOYSA-N 1 2 262.313 0.104 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568883 816589665 /nfs/dbraw/zinc/58/96/65/816589665.db2.gz IHOZISVXXXNDIR-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568883 816589673 /nfs/dbraw/zinc/58/96/73/816589673.db2.gz IHOZISVXXXNDIR-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568883 816589681 /nfs/dbraw/zinc/58/96/81/816589681.db2.gz IHOZISVXXXNDIR-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568883 816589690 /nfs/dbraw/zinc/58/96/90/816589690.db2.gz IHOZISVXXXNDIR-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@@H](O)C1 ZINC001083710177 816593614 /nfs/dbraw/zinc/59/36/14/816593614.db2.gz UUXGTSBDWLTDQL-UTUOFQBUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@@H](O)C1 ZINC001083710177 816593618 /nfs/dbraw/zinc/59/36/18/816593618.db2.gz UUXGTSBDWLTDQL-UTUOFQBUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001031039129 816596587 /nfs/dbraw/zinc/59/65/87/816596587.db2.gz XZMCFHJPLWAYQN-NWDGAFQWSA-N 1 2 277.368 0.102 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(COC)on2)C1 ZINC001031060821 816617740 /nfs/dbraw/zinc/61/77/40/816617740.db2.gz KYKMKABFZWJGBA-UHFFFAOYSA-N 1 2 265.313 0.811 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001031129343 816677808 /nfs/dbraw/zinc/67/78/08/816677808.db2.gz OGOOQFTWYWRDKU-OAHLLOKOSA-N 1 2 297.358 0.685 20 30 CCEDLO N#CCN1CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001031195871 816781137 /nfs/dbraw/zinc/78/11/37/816781137.db2.gz XOTJHJQAQSEPCW-UHFFFAOYSA-N 1 2 282.307 0.205 20 30 CCEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106597909 816819231 /nfs/dbraw/zinc/81/92/31/816819231.db2.gz BKQFHUFMYZHEIH-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO CCN(CCNc1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001106789988 816907745 /nfs/dbraw/zinc/90/77/45/816907745.db2.gz LREGCXRWMPOQQE-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001031347680 816993899 /nfs/dbraw/zinc/99/38/99/816993899.db2.gz UEWCWCUPDGULIU-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001031370139 817007043 /nfs/dbraw/zinc/00/70/43/817007043.db2.gz SJIGSRUVRMCKEP-UHFFFAOYSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001031375644 817009489 /nfs/dbraw/zinc/00/94/89/817009489.db2.gz JXGRMQKJJICROT-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031570738 817148335 /nfs/dbraw/zinc/14/83/35/817148335.db2.gz XNMSMAKRLJRBNK-NSHDSACASA-N 1 2 258.749 0.823 20 30 CCEDLO Cc1nc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001124191236 817329963 /nfs/dbraw/zinc/32/99/63/817329963.db2.gz LDUKZKSUTYGTHJ-ONGXEEELSA-N 1 2 277.328 0.176 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783668 817364170 /nfs/dbraw/zinc/36/41/70/817364170.db2.gz DNVQESCZGOTSEU-LBPRGKRZSA-N 1 2 273.340 0.017 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2cn(C)ccc2=O)C1 ZINC001031836194 817405063 /nfs/dbraw/zinc/40/50/63/817405063.db2.gz UBXJVCUFRPGCNF-UHFFFAOYSA-N 1 2 273.336 0.070 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001077575207 817501615 /nfs/dbraw/zinc/50/16/15/817501615.db2.gz LZVOTMBIWGZITR-RBSFLKMASA-N 1 2 288.322 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001077575207 817501618 /nfs/dbraw/zinc/50/16/18/817501618.db2.gz LZVOTMBIWGZITR-RBSFLKMASA-N 1 2 288.322 0.260 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001124765091 817568388 /nfs/dbraw/zinc/56/83/88/817568388.db2.gz KTRCXXNGYWWETO-UHFFFAOYSA-N 1 2 290.270 0.416 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(F)F)c2)C1 ZINC001047577765 817787658 /nfs/dbraw/zinc/78/76/58/817787658.db2.gz AFKIRMHOYROYRO-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(F)F)c2)C1 ZINC001047577765 817787664 /nfs/dbraw/zinc/78/76/64/817787664.db2.gz AFKIRMHOYROYRO-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3C[C@@H]3C)nn2)C1 ZINC001107206351 817807228 /nfs/dbraw/zinc/80/72/28/817807228.db2.gz KNDDBTXAWVINRA-RYUDHWBXSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)C)nn2)C1 ZINC001107230563 817812700 /nfs/dbraw/zinc/81/27/00/817812700.db2.gz NVAKJAWEXUKZJU-UHFFFAOYSA-N 1 2 277.372 0.983 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)on1 ZINC001032322448 817862576 /nfs/dbraw/zinc/86/25/76/817862576.db2.gz RWDOUQZWTOQEOR-STQMWFEESA-N 1 2 259.309 0.444 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)on1 ZINC001032322448 817862585 /nfs/dbraw/zinc/86/25/85/817862585.db2.gz RWDOUQZWTOQEOR-STQMWFEESA-N 1 2 259.309 0.444 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCSC)C1 ZINC001107723289 817969096 /nfs/dbraw/zinc/96/90/96/817969096.db2.gz ZEVDUNZKXCIPFB-CQSZACIVSA-N 1 2 284.425 0.970 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCSC)C1 ZINC001107723289 817969104 /nfs/dbraw/zinc/96/91/04/817969104.db2.gz ZEVDUNZKXCIPFB-CQSZACIVSA-N 1 2 284.425 0.970 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743367 817976481 /nfs/dbraw/zinc/97/64/81/817976481.db2.gz PHEWROZNBZAKAA-CQSZACIVSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743367 817976489 /nfs/dbraw/zinc/97/64/89/817976489.db2.gz PHEWROZNBZAKAA-CQSZACIVSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC(C)C)C1 ZINC001107789035 818008200 /nfs/dbraw/zinc/00/82/00/818008200.db2.gz WGXHITACTIPELU-AWEZNQCLSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COC(C)C)C1 ZINC001107789035 818008208 /nfs/dbraw/zinc/00/82/08/818008208.db2.gz WGXHITACTIPELU-AWEZNQCLSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799392 818017579 /nfs/dbraw/zinc/01/75/79/818017579.db2.gz DQEZSRJLEAXHMM-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799392 818017586 /nfs/dbraw/zinc/01/75/86/818017586.db2.gz DQEZSRJLEAXHMM-HIFRSBDPSA-N 1 2 282.384 0.642 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001107812534 818028701 /nfs/dbraw/zinc/02/87/01/818028701.db2.gz UITOVYGRGATXCF-LLVKDONJSA-N 1 2 299.338 0.470 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]nc2CC)C1 ZINC001108046841 818112111 /nfs/dbraw/zinc/11/21/11/818112111.db2.gz YQPDTIJKHZGGNF-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]nc2CC)C1 ZINC001108046841 818112118 /nfs/dbraw/zinc/11/21/18/818112118.db2.gz YQPDTIJKHZGGNF-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819046 818269712 /nfs/dbraw/zinc/26/97/12/818269712.db2.gz QZOBGVUICRGYRE-RDBSUJKOSA-N 1 2 276.311 0.492 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819046 818269716 /nfs/dbraw/zinc/26/97/16/818269716.db2.gz QZOBGVUICRGYRE-RDBSUJKOSA-N 1 2 276.311 0.492 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001033038293 818450994 /nfs/dbraw/zinc/45/09/94/818450994.db2.gz PTYJQDKWHUCONX-ZDUSSCGKSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001033038293 818450995 /nfs/dbraw/zinc/45/09/95/818450995.db2.gz PTYJQDKWHUCONX-ZDUSSCGKSA-N 1 2 299.802 0.750 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H](O)C1 ZINC001083831457 818526021 /nfs/dbraw/zinc/52/60/21/818526021.db2.gz MVUDMGFPNGJRMJ-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H](O)C1 ZINC001083831457 818526029 /nfs/dbraw/zinc/52/60/29/818526029.db2.gz MVUDMGFPNGJRMJ-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C#N)ccc1[N+](=O)[O-] ZINC001161950970 818531693 /nfs/dbraw/zinc/53/16/93/818531693.db2.gz YAFDDDVZADMJRV-MRVPVSSYSA-N 1 2 279.256 0.164 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001033159645 818586646 /nfs/dbraw/zinc/58/66/46/818586646.db2.gz DVXCZWOBFKECHQ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 ZINC001033159645 818586651 /nfs/dbraw/zinc/58/66/51/818586651.db2.gz DVXCZWOBFKECHQ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001033342141 818727197 /nfs/dbraw/zinc/72/71/97/818727197.db2.gz SECQPBLKVRYBAI-NEPJUHHUSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001033342141 818727201 /nfs/dbraw/zinc/72/72/01/818727201.db2.gz SECQPBLKVRYBAI-NEPJUHHUSA-N 1 2 299.802 0.750 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001033575897 818834681 /nfs/dbraw/zinc/83/46/81/818834681.db2.gz DOAUFXTWZLSUHW-NEPJUHHUSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001033575897 818834687 /nfs/dbraw/zinc/83/46/87/818834687.db2.gz DOAUFXTWZLSUHW-NEPJUHHUSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001033575897 818834690 /nfs/dbraw/zinc/83/46/90/818834690.db2.gz DOAUFXTWZLSUHW-NEPJUHHUSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001033575897 818834695 /nfs/dbraw/zinc/83/46/95/818834695.db2.gz DOAUFXTWZLSUHW-NEPJUHHUSA-N 1 2 289.383 0.628 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033664008 818875335 /nfs/dbraw/zinc/87/53/35/818875335.db2.gz BGERNDSNZSDMAG-CYBMUJFWSA-N 1 2 260.341 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033664008 818875338 /nfs/dbraw/zinc/87/53/38/818875338.db2.gz BGERNDSNZSDMAG-CYBMUJFWSA-N 1 2 260.341 0.357 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033921564 818996513 /nfs/dbraw/zinc/99/65/13/818996513.db2.gz BXPMBVAKBTXDRY-GFCCVEGCSA-N 1 2 275.356 0.673 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033921564 818996518 /nfs/dbraw/zinc/99/65/18/818996518.db2.gz BXPMBVAKBTXDRY-GFCCVEGCSA-N 1 2 275.356 0.673 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090195677 819118813 /nfs/dbraw/zinc/11/88/13/819118813.db2.gz WUQQRXYHEWRCHB-CHWSQXEVSA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 ZINC001090195677 819118818 /nfs/dbraw/zinc/11/88/18/819118818.db2.gz WUQQRXYHEWRCHB-CHWSQXEVSA-N 1 2 297.786 0.943 20 30 CCEDLO N#Cc1ccc2ncc(-n3[nH]c(=O)nc3C[NH3+])nc2c1 ZINC001168755414 819281197 /nfs/dbraw/zinc/28/11/97/819281197.db2.gz AZJUJRXLVKXPFT-UHFFFAOYSA-N 1 2 267.252 0.246 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)n2C)C1 ZINC001108160842 819331872 /nfs/dbraw/zinc/33/18/72/819331872.db2.gz VBTUTAYFDDKHPT-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)n2C)C1 ZINC001108160842 819331879 /nfs/dbraw/zinc/33/18/79/819331879.db2.gz VBTUTAYFDDKHPT-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035290848 819439033 /nfs/dbraw/zinc/43/90/33/819439033.db2.gz OOLZOSJHEVSBNN-OAHLLOKOSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035290848 819439036 /nfs/dbraw/zinc/43/90/36/819439036.db2.gz OOLZOSJHEVSBNN-OAHLLOKOSA-N 1 2 287.363 0.844 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035307281 819458827 /nfs/dbraw/zinc/45/88/27/819458827.db2.gz OGIVXGCADACKDD-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035307281 819458832 /nfs/dbraw/zinc/45/88/32/819458832.db2.gz OGIVXGCADACKDD-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035321777 819468198 /nfs/dbraw/zinc/46/81/98/819468198.db2.gz CCLYLYSGSOFLPH-GFCCVEGCSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035321777 819468208 /nfs/dbraw/zinc/46/82/08/819468208.db2.gz CCLYLYSGSOFLPH-GFCCVEGCSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363328 819501844 /nfs/dbraw/zinc/50/18/44/819501844.db2.gz BJZUNKAHYYOLTI-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363328 819501849 /nfs/dbraw/zinc/50/18/49/819501849.db2.gz BJZUNKAHYYOLTI-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035405700 819512766 /nfs/dbraw/zinc/51/27/66/819512766.db2.gz DBDJGYUHGXEEFA-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035405700 819512768 /nfs/dbraw/zinc/51/27/68/819512768.db2.gz DBDJGYUHGXEEFA-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001035404964 819513629 /nfs/dbraw/zinc/51/36/29/819513629.db2.gz UHOOPPPBGQHILY-GFCCVEGCSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001035404964 819513632 /nfs/dbraw/zinc/51/36/32/819513632.db2.gz UHOOPPPBGQHILY-GFCCVEGCSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001035417254 819519918 /nfs/dbraw/zinc/51/99/18/819519918.db2.gz UVFPHHCBRXVWHI-CYBMUJFWSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001035417254 819519922 /nfs/dbraw/zinc/51/99/22/819519922.db2.gz UVFPHHCBRXVWHI-CYBMUJFWSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035450686 819527948 /nfs/dbraw/zinc/52/79/48/819527948.db2.gz VSKPGMHZKVTOMA-LLVKDONJSA-N 1 2 267.304 0.770 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035450686 819527953 /nfs/dbraw/zinc/52/79/53/819527953.db2.gz VSKPGMHZKVTOMA-LLVKDONJSA-N 1 2 267.304 0.770 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oncc2C)C1 ZINC001035567629 819559395 /nfs/dbraw/zinc/55/93/95/819559395.db2.gz KHDWLJWYHODQQU-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oncc2C)C1 ZINC001035567629 819559399 /nfs/dbraw/zinc/55/93/99/819559399.db2.gz KHDWLJWYHODQQU-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035604170 819574438 /nfs/dbraw/zinc/57/44/38/819574438.db2.gz HYKBQVYXNYPIIQ-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035604170 819574442 /nfs/dbraw/zinc/57/44/42/819574442.db2.gz HYKBQVYXNYPIIQ-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035580566 819575420 /nfs/dbraw/zinc/57/54/20/819575420.db2.gz XTGLNXLFVPTDJN-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035580566 819575424 /nfs/dbraw/zinc/57/54/24/819575424.db2.gz XTGLNXLFVPTDJN-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035588763 819578919 /nfs/dbraw/zinc/57/89/19/819578919.db2.gz FUUGKXCKDYBXNA-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035588763 819578926 /nfs/dbraw/zinc/57/89/26/819578926.db2.gz FUUGKXCKDYBXNA-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)Cc1ncn[nH]1)CC2 ZINC001035834181 819633880 /nfs/dbraw/zinc/63/38/80/819633880.db2.gz DIKFMAYGLUCNGT-UHFFFAOYSA-N 1 2 275.356 0.458 20 30 CCEDLO C#CC1(O)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000708101057 819756984 /nfs/dbraw/zinc/75/69/84/819756984.db2.gz GCGXJIDDRDHGMO-UHFFFAOYSA-N 1 2 257.297 0.328 20 30 CCEDLO COc1ccc(-n2[nH]c(=O)nc2C[NH3+])c(CC#N)c1 ZINC001168760844 819762072 /nfs/dbraw/zinc/76/20/72/819762072.db2.gz HGNADXRJVQDKAY-UHFFFAOYSA-N 1 2 259.269 0.506 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108185718 820098247 /nfs/dbraw/zinc/09/82/47/820098247.db2.gz DFTDZDJEFLHWPR-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108185718 820098256 /nfs/dbraw/zinc/09/82/56/820098256.db2.gz DFTDZDJEFLHWPR-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001079929342 820490182 /nfs/dbraw/zinc/49/01/82/820490182.db2.gz ZLYXFFSTGLASPU-LDYMZIIASA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001079929342 820490186 /nfs/dbraw/zinc/49/01/86/820490186.db2.gz ZLYXFFSTGLASPU-LDYMZIIASA-N 1 2 296.758 0.985 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001081467048 820769232 /nfs/dbraw/zinc/76/92/32/820769232.db2.gz CARDADUTJTXNGC-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001081467048 820769236 /nfs/dbraw/zinc/76/92/36/820769236.db2.gz CARDADUTJTXNGC-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 ZINC001082295508 820930583 /nfs/dbraw/zinc/93/05/83/820930583.db2.gz XGNYZMMUPZRIKX-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 ZINC001082295508 820930590 /nfs/dbraw/zinc/93/05/90/820930590.db2.gz XGNYZMMUPZRIKX-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 ZINC001083009872 821104487 /nfs/dbraw/zinc/10/44/87/821104487.db2.gz LQJCYLMJCJATJD-NWDGAFQWSA-N 1 2 263.297 0.386 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 ZINC001083009872 821104491 /nfs/dbraw/zinc/10/44/91/821104491.db2.gz LQJCYLMJCJATJD-NWDGAFQWSA-N 1 2 263.297 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](O)C1 ZINC001083968249 821175861 /nfs/dbraw/zinc/17/58/61/821175861.db2.gz MJPMCNBMXXBZFS-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](O)C1 ZINC001083968249 821175864 /nfs/dbraw/zinc/17/58/64/821175864.db2.gz MJPMCNBMXXBZFS-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](O)C1 ZINC001084084132 821195199 /nfs/dbraw/zinc/19/51/99/821195199.db2.gz HSETVPVQTLLVPE-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](O)C1 ZINC001084084132 821195203 /nfs/dbraw/zinc/19/52/03/821195203.db2.gz HSETVPVQTLLVPE-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)[C@@H]2C1 ZINC001084360264 821278823 /nfs/dbraw/zinc/27/88/23/821278823.db2.gz ZHSYUGMJAJGKGH-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)[C@@H]2C1 ZINC001084360264 821278829 /nfs/dbraw/zinc/27/88/29/821278829.db2.gz ZHSYUGMJAJGKGH-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084646159 821335674 /nfs/dbraw/zinc/33/56/74/821335674.db2.gz WBMGSOBIKKRBNR-VXGBXAGGSA-N 1 2 277.368 0.361 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084646159 821335684 /nfs/dbraw/zinc/33/56/84/821335684.db2.gz WBMGSOBIKKRBNR-VXGBXAGGSA-N 1 2 277.368 0.361 20 30 CCEDLO Cc1nccc(N2CC[NH+](C[C@H](O)CC#N)CC2)n1 ZINC001119815615 821438655 /nfs/dbraw/zinc/43/86/55/821438655.db2.gz AVNYEDKOJLSPDR-GFCCVEGCSA-N 1 2 261.329 0.182 20 30 CCEDLO Cc1ncc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1C#N ZINC000712277856 821489030 /nfs/dbraw/zinc/48/90/30/821489030.db2.gz VAKQNGHNENFAEY-NSHDSACASA-N 1 2 280.353 0.244 20 30 CCEDLO Cc1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1C#N ZINC000712277856 821489031 /nfs/dbraw/zinc/48/90/31/821489031.db2.gz VAKQNGHNENFAEY-NSHDSACASA-N 1 2 280.353 0.244 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065679927 821579082 /nfs/dbraw/zinc/57/90/82/821579082.db2.gz DCCFESMTLWNOAS-AWEZNQCLSA-N 1 2 279.384 0.718 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065681432 821579419 /nfs/dbraw/zinc/57/94/19/821579419.db2.gz UAYJSZHFNYDSJL-OAHLLOKOSA-N 1 2 291.395 0.555 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC001085464750 821718740 /nfs/dbraw/zinc/71/87/40/821718740.db2.gz LEBHHCDJDDLLMY-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC001085464750 821718745 /nfs/dbraw/zinc/71/87/45/821718745.db2.gz LEBHHCDJDDLLMY-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001085470152 821722445 /nfs/dbraw/zinc/72/24/45/821722445.db2.gz IHBVGCQPNSJIGU-ZDUSSCGKSA-N 1 2 259.309 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001085470152 821722451 /nfs/dbraw/zinc/72/24/51/821722451.db2.gz IHBVGCQPNSJIGU-ZDUSSCGKSA-N 1 2 259.309 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001085606575 821844047 /nfs/dbraw/zinc/84/40/47/821844047.db2.gz QUVWEFTWSGXGEZ-NSHDSACASA-N 1 2 290.371 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001085606575 821844056 /nfs/dbraw/zinc/84/40/56/821844056.db2.gz QUVWEFTWSGXGEZ-NSHDSACASA-N 1 2 290.371 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001085636060 821865831 /nfs/dbraw/zinc/86/58/31/821865831.db2.gz HMQSJBVRBPCFPK-ZDUSSCGKSA-N 1 2 287.363 0.867 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001085636060 821865841 /nfs/dbraw/zinc/86/58/41/821865841.db2.gz HMQSJBVRBPCFPK-ZDUSSCGKSA-N 1 2 287.363 0.867 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1OCCC2 ZINC001085697331 821905932 /nfs/dbraw/zinc/90/59/32/821905932.db2.gz IZRVKUMWTSMZEF-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1OCCC2 ZINC001085697331 821905940 /nfs/dbraw/zinc/90/59/40/821905940.db2.gz IZRVKUMWTSMZEF-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1C ZINC001085700358 821909424 /nfs/dbraw/zinc/90/94/24/821909424.db2.gz MSFJJKSDDGBLLE-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnnc1C ZINC001085700358 821909432 /nfs/dbraw/zinc/90/94/32/821909432.db2.gz MSFJJKSDDGBLLE-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(c1)ncn2C ZINC001085760441 821937133 /nfs/dbraw/zinc/93/71/33/821937133.db2.gz KKQSKIXRDLLORW-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(c1)ncn2C ZINC001085760441 821937136 /nfs/dbraw/zinc/93/71/36/821937136.db2.gz KKQSKIXRDLLORW-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001100042601 822151577 /nfs/dbraw/zinc/15/15/77/822151577.db2.gz GKIVAVRAELOJIM-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086407297 822241926 /nfs/dbraw/zinc/24/19/26/822241926.db2.gz YGYHTVQMXHUYOI-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO COCCc1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155848919 822263089 /nfs/dbraw/zinc/26/30/89/822263089.db2.gz ROFFITYNIYQXAQ-JTQLQIEISA-N 1 2 295.343 0.014 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)o1 ZINC001114238048 837482969 /nfs/dbraw/zinc/48/29/69/837482969.db2.gz YLWRFVWRYVKXIM-JYAVWHMHSA-N 1 2 288.351 0.584 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)o1 ZINC001114238048 837482972 /nfs/dbraw/zinc/48/29/72/837482972.db2.gz YLWRFVWRYVKXIM-JYAVWHMHSA-N 1 2 288.351 0.584 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114253256 837487362 /nfs/dbraw/zinc/48/73/62/837487362.db2.gz KIXDPFFIRVKPGF-NHAGDIPZSA-N 1 2 271.320 0.634 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114253256 837487369 /nfs/dbraw/zinc/48/73/69/837487369.db2.gz KIXDPFFIRVKPGF-NHAGDIPZSA-N 1 2 271.320 0.634 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OC)C2 ZINC001110340419 844096242 /nfs/dbraw/zinc/09/62/42/844096242.db2.gz LUBHHGQGVDITAQ-LPWJVIDDSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OC)C2 ZINC001110340419 844096253 /nfs/dbraw/zinc/09/62/53/844096253.db2.gz LUBHHGQGVDITAQ-LPWJVIDDSA-N 1 2 295.383 0.045 20 30 CCEDLO N#CC1(NC(=O)CCc2ccc(N)[nH+]c2)CCOCC1 ZINC001183939245 844116351 /nfs/dbraw/zinc/11/63/51/844116351.db2.gz KSRMKHQCLUKBMX-UHFFFAOYSA-N 1 2 274.324 0.785 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444115 836118282 /nfs/dbraw/zinc/11/82/82/836118282.db2.gz BNUXORVCLXOVST-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444115 836118285 /nfs/dbraw/zinc/11/82/85/836118285.db2.gz BNUXORVCLXOVST-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO COc1cc2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2cc1OC ZINC001156320901 836283031 /nfs/dbraw/zinc/28/30/31/836283031.db2.gz HJCCHYQPNCECMJ-JTQLQIEISA-N 1 2 299.334 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCC)CC2=O)C1 ZINC001108498671 836322961 /nfs/dbraw/zinc/32/29/61/836322961.db2.gz OBHYNMHARGCQRF-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C=C(C)C)CC2=O)C1 ZINC001108503407 836360603 /nfs/dbraw/zinc/36/06/03/836360603.db2.gz BNSWGZPQLIUSMC-LBPRGKRZSA-N 1 2 277.368 0.540 20 30 CCEDLO C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001109014550 836597981 /nfs/dbraw/zinc/59/79/81/836597981.db2.gz KOZRDDHLAUDYBS-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001109138130 836620743 /nfs/dbraw/zinc/62/07/43/836620743.db2.gz AATMDLIPCVDJIT-AGIUHOORSA-N 1 2 287.367 0.482 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001109138130 836620750 /nfs/dbraw/zinc/62/07/50/836620750.db2.gz AATMDLIPCVDJIT-AGIUHOORSA-N 1 2 287.367 0.482 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109254725 836647526 /nfs/dbraw/zinc/64/75/26/836647526.db2.gz FXNQGGMQLVHKDX-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CN(CCCNc1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506214 836691535 /nfs/dbraw/zinc/69/15/35/836691535.db2.gz BIJKMMMBSCFPKI-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO N#CCNC[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551970 836793180 /nfs/dbraw/zinc/79/31/80/836793180.db2.gz YPZYNXQBKMFQBA-WFASDCNBSA-N 1 2 287.367 0.694 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)C2CCCC2)CC1 ZINC001112873590 836950881 /nfs/dbraw/zinc/95/08/81/836950881.db2.gz SFEXZOOUCHHTEB-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ccnc(C#N)n1 ZINC001113313350 837084071 /nfs/dbraw/zinc/08/40/71/837084071.db2.gz HFTXAPRFENDXFV-NXEZZACHSA-N 1 2 299.338 0.041 20 30 CCEDLO Cc1nc(N(C)[C@H](C)CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001113536820 837150273 /nfs/dbraw/zinc/15/02/73/837150273.db2.gz BWBUXSCBUMZOJD-VHSXEESVSA-N 1 2 261.329 0.886 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ncccc1C#N ZINC001113645164 837186223 /nfs/dbraw/zinc/18/62/23/837186223.db2.gz UFQWNVXHRKLMSX-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccncc1C#N ZINC001113645324 837186264 /nfs/dbraw/zinc/18/62/64/837186264.db2.gz YMYLVBQONJEUSW-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001113747415 837211700 /nfs/dbraw/zinc/21/17/00/837211700.db2.gz SPDUJLYWSUUHGS-MRXNPFEDSA-N 1 2 291.395 0.603 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090466337 837287891 /nfs/dbraw/zinc/28/78/91/837287891.db2.gz JVSNZKYXMWHXMH-UWVGGRQHSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 ZINC001090466337 837287901 /nfs/dbraw/zinc/28/79/01/837287901.db2.gz JVSNZKYXMWHXMH-UWVGGRQHSA-N 1 2 285.731 0.592 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1cnc(C#N)cn1 ZINC001113898333 837358386 /nfs/dbraw/zinc/35/83/86/837358386.db2.gz REMPFIXPHHVJRT-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO N#C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cc1)C(N)=O ZINC001170534505 837980288 /nfs/dbraw/zinc/98/02/88/837980288.db2.gz AOPYLHMQZVYLIE-GFCCVEGCSA-N 1 2 255.281 0.721 20 30 CCEDLO C=CCCC(=O)N1CCC(=O)NCC[N@@H+](CC=C)CC1 ZINC001131336881 838052738 /nfs/dbraw/zinc/05/27/38/838052738.db2.gz NOUWEZVKWAROOQ-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCCC(=O)N1CCC(=O)NCC[N@H+](CC=C)CC1 ZINC001131336881 838052752 /nfs/dbraw/zinc/05/27/52/838052752.db2.gz NOUWEZVKWAROOQ-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001132369492 838374985 /nfs/dbraw/zinc/37/49/85/838374985.db2.gz XZIMTWNIBLAHMR-RYUDHWBXSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001132369492 838374988 /nfs/dbraw/zinc/37/49/88/838374988.db2.gz XZIMTWNIBLAHMR-RYUDHWBXSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132530320 838423892 /nfs/dbraw/zinc/42/38/92/838423892.db2.gz WPBGYPYEEGJJFV-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132530320 838423901 /nfs/dbraw/zinc/42/39/01/838423901.db2.gz WPBGYPYEEGJJFV-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNCC#N ZINC001133240869 838580571 /nfs/dbraw/zinc/58/05/71/838580571.db2.gz BIHMIHPIWKDPHK-OLZOCXBDSA-N 1 2 289.383 0.560 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514722 838793444 /nfs/dbraw/zinc/79/34/44/838793444.db2.gz OYQLGEWKGVEXAJ-RYUDHWBXSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514722 838793451 /nfs/dbraw/zinc/79/34/51/838793451.db2.gz OYQLGEWKGVEXAJ-RYUDHWBXSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001134053405 838840303 /nfs/dbraw/zinc/84/03/03/838840303.db2.gz VYNYUZMPBYCSIL-UMNHJUIQSA-N 1 2 296.396 0.896 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001134058124 838846475 /nfs/dbraw/zinc/84/64/75/838846475.db2.gz AXJPOORCSHNNLK-NEPJUHHUSA-N 1 2 279.340 0.780 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001135145692 839168154 /nfs/dbraw/zinc/16/81/54/839168154.db2.gz PPTDHHHCEKITEF-AAEUAGOBSA-N 1 2 294.355 0.565 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090631713 839688880 /nfs/dbraw/zinc/68/88/80/839688880.db2.gz WKYAKBIBQICJQC-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 ZINC001090631713 839688882 /nfs/dbraw/zinc/68/88/82/839688882.db2.gz WKYAKBIBQICJQC-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO CN1CCN(c2cc(NCCCS)[nH+]cn2)CC1=O ZINC001171000815 839696794 /nfs/dbraw/zinc/69/67/94/839696794.db2.gz JBSLYWMHXBRNCN-UHFFFAOYSA-N 1 2 281.385 0.487 20 30 CCEDLO CN1CCN(c2cc(NCCCS)nc[nH+]2)CC1=O ZINC001171000815 839696797 /nfs/dbraw/zinc/69/67/97/839696797.db2.gz JBSLYWMHXBRNCN-UHFFFAOYSA-N 1 2 281.385 0.487 20 30 CCEDLO N#Cc1cccc2[nH]nc(NC(=O)C[N@H+]3CC[C@H](O)C3)c21 ZINC001186034750 844487298 /nfs/dbraw/zinc/48/72/98/844487298.db2.gz CTRBPRJGWARTGZ-JTQLQIEISA-N 1 2 285.307 0.440 20 30 CCEDLO N#Cc1cccc2[nH]nc(NC(=O)C[N@@H+]3CC[C@H](O)C3)c21 ZINC001186034750 844487303 /nfs/dbraw/zinc/48/73/03/844487303.db2.gz CTRBPRJGWARTGZ-JTQLQIEISA-N 1 2 285.307 0.440 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106741 840051388 /nfs/dbraw/zinc/05/13/88/840051388.db2.gz UUBUBNZLOXYGRB-CPCZMJQVSA-N 1 2 287.367 0.453 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncccn2)nc1 ZINC001148370142 840794988 /nfs/dbraw/zinc/79/49/88/840794988.db2.gz KGOIJIABMXXPIA-UHFFFAOYSA-N 1 2 281.319 0.373 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2C(N)=O)CC1 ZINC001148526886 840821238 /nfs/dbraw/zinc/82/12/38/840821238.db2.gz KMGBLQZHSKYBGL-UHFFFAOYSA-N 1 2 273.336 0.729 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC001092129945 840992911 /nfs/dbraw/zinc/99/29/11/840992911.db2.gz DKHQAQYNROTEBX-OLZOCXBDSA-N 1 2 290.367 0.807 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734107 841151671 /nfs/dbraw/zinc/15/16/71/841151671.db2.gz MVBAVWFGJUPYJL-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000714244294 841186452 /nfs/dbraw/zinc/18/64/52/841186452.db2.gz FTVQPIXBYKZAQR-XWEPSHTISA-N 1 2 271.367 0.680 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)NCC2CCOCC2)CC1 ZINC001186921055 844622095 /nfs/dbraw/zinc/62/20/95/844622095.db2.gz MMUFGIZXJXKDRN-UHFFFAOYSA-N 1 2 267.373 0.926 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851449 841395111 /nfs/dbraw/zinc/39/51/11/841395111.db2.gz LVUZOVPWFRLJQL-RYUDHWBXSA-N 1 2 273.340 0.399 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccncc1C#N ZINC001093784844 841455649 /nfs/dbraw/zinc/45/56/49/841455649.db2.gz BJXUSPDWUQTGBO-UHFFFAOYSA-N 1 2 298.350 0.270 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(C#N)nn1 ZINC001093776805 841467872 /nfs/dbraw/zinc/46/78/72/841467872.db2.gz PNCKQHBZUWUZMR-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1cnc(C#N)cn1 ZINC001093777093 841468067 /nfs/dbraw/zinc/46/80/67/841468067.db2.gz VMHQAKBZHJMFRN-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO Cc1nc(NCCNC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001093829291 841470377 /nfs/dbraw/zinc/47/03/77/841470377.db2.gz CMTOARUDZCSRRM-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc[nH]3)nn2)C1 ZINC001094274899 841581756 /nfs/dbraw/zinc/58/17/56/841581756.db2.gz VJPRPCBDVNPRQG-UHFFFAOYSA-N 1 2 286.339 0.579 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001094323043 841615348 /nfs/dbraw/zinc/61/53/48/841615348.db2.gz UDIFCOWGNHAMBG-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO Cc1cc(C#N)nc(NCCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001094471192 841641861 /nfs/dbraw/zinc/64/18/61/841641861.db2.gz CWVYZDYDMLERQM-UHFFFAOYSA-N 1 2 299.338 0.472 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CC(C)C3)CC2=O)C1 ZINC001094721277 841700198 /nfs/dbraw/zinc/70/01/98/841700198.db2.gz YOPWKYOFQYSMLP-BPCQOVAHSA-N 1 2 291.395 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)F)CC2=O)C1 ZINC001094695685 841707293 /nfs/dbraw/zinc/70/72/93/841707293.db2.gz WQXIRPUAQCXKFB-JTQLQIEISA-N 1 2 283.347 0.322 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3CC)CC2=O)C1 ZINC001094790732 841722346 /nfs/dbraw/zinc/72/23/46/841722346.db2.gz OVMSXKVCZXTGSC-YRGRVCCFSA-N 1 2 291.395 0.620 20 30 CCEDLO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC001171640747 841749084 /nfs/dbraw/zinc/74/90/84/841749084.db2.gz DHVPYUBORMFATP-SNVBAGLBSA-N 1 2 266.345 0.005 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172150392 841864076 /nfs/dbraw/zinc/86/40/76/841864076.db2.gz NPZXCVJPOXTKAO-UTLUCORTSA-N 1 2 272.370 0.201 20 30 CCEDLO N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095021630 842002059 /nfs/dbraw/zinc/00/20/59/842002059.db2.gz IDIMUSVBCFIVQX-TUAOUCFPSA-N 1 2 273.340 0.445 20 30 CCEDLO N#Cc1cccnc1NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001110169159 842049697 /nfs/dbraw/zinc/04/96/97/842049697.db2.gz HYVRSCMPNJEBJW-UHFFFAOYSA-N 1 2 296.334 0.911 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176987284 842478131 /nfs/dbraw/zinc/47/81/31/842478131.db2.gz ASYHUUQPHRTUNC-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176987284 842478138 /nfs/dbraw/zinc/47/81/38/842478138.db2.gz ASYHUUQPHRTUNC-CABCVRRESA-N 1 2 294.395 0.474 20 30 CCEDLO CO/N=C(\C(=O)N1CCc2[nH+]ccn2CC1)c1ccco1 ZINC001177350889 842562999 /nfs/dbraw/zinc/56/29/99/842562999.db2.gz ZHOGIHAQDYTUAN-SSZFMOIBSA-N 1 2 288.307 0.912 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)C#Cc2ccccn2)c1 ZINC001177804262 842683156 /nfs/dbraw/zinc/68/31/56/842683156.db2.gz OCKNUSMJYPISNN-UHFFFAOYSA-N 1 2 254.293 0.526 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110231924 843038466 /nfs/dbraw/zinc/03/84/66/843038466.db2.gz YPUVVDRINRKKHL-UTUOFQBUSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110231924 843038473 /nfs/dbraw/zinc/03/84/73/843038473.db2.gz YPUVVDRINRKKHL-UTUOFQBUSA-N 1 2 297.374 0.758 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001179896836 843072375 /nfs/dbraw/zinc/07/23/75/843072375.db2.gz VALOSLHBICVMSM-NSHDSACASA-N 1 2 299.338 0.415 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC001181097139 843398571 /nfs/dbraw/zinc/39/85/71/843398571.db2.gz IOPLSSMYXIEFKX-SNVBAGLBSA-N 1 2 295.368 0.325 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001181644790 843550584 /nfs/dbraw/zinc/55/05/84/843550584.db2.gz YCKXMGLFFOJZHP-LLVKDONJSA-N 1 2 294.355 0.525 20 30 CCEDLO N#Cc1ccccc1CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001181804518 843619706 /nfs/dbraw/zinc/61/97/06/843619706.db2.gz QBLPPJIACYNSJN-CQSZACIVSA-N 1 2 284.319 0.544 20 30 CCEDLO N#Cc1ccccc1CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181804518 843619710 /nfs/dbraw/zinc/61/97/10/843619710.db2.gz QBLPPJIACYNSJN-CQSZACIVSA-N 1 2 284.319 0.544 20 30 CCEDLO COc1ccc(C#CC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001182048547 843697737 /nfs/dbraw/zinc/69/77/37/843697737.db2.gz PFODJVJVKNGFGD-HNNXBMFYSA-N 1 2 288.347 0.494 20 30 CCEDLO COc1ccc(C#CC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001182048547 843697742 /nfs/dbraw/zinc/69/77/42/843697742.db2.gz PFODJVJVKNGFGD-HNNXBMFYSA-N 1 2 288.347 0.494 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110288698 843802150 /nfs/dbraw/zinc/80/21/50/843802150.db2.gz YKBSGZONCVTDJW-UTUOFQBUSA-N 1 2 278.356 0.004 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110288698 843802158 /nfs/dbraw/zinc/80/21/58/843802158.db2.gz YKBSGZONCVTDJW-UTUOFQBUSA-N 1 2 278.356 0.004 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2CCOC)CC1 ZINC001187859564 844786178 /nfs/dbraw/zinc/78/61/78/844786178.db2.gz LHTBQXUVUVJNOI-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001188301983 844872103 /nfs/dbraw/zinc/87/21/03/844872103.db2.gz OMAAQPJTGHDXGQ-GHMZBOCLSA-N 1 2 296.396 0.820 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001190115120 845337397 /nfs/dbraw/zinc/33/73/97/845337397.db2.gz XFQDTOITHKBCBO-AWEZNQCLSA-N 1 2 291.351 0.747 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190115120 845337406 /nfs/dbraw/zinc/33/74/06/845337406.db2.gz XFQDTOITHKBCBO-AWEZNQCLSA-N 1 2 291.351 0.747 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc(C#N)ccc1F ZINC001190607972 845443936 /nfs/dbraw/zinc/44/39/36/845443936.db2.gz GOQPSNDIGDSTCR-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001191622354 845696962 /nfs/dbraw/zinc/69/69/62/845696962.db2.gz JBAAWCZEFBLHJC-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001191622354 845696965 /nfs/dbraw/zinc/69/69/65/845696965.db2.gz JBAAWCZEFBLHJC-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192813263 845914364 /nfs/dbraw/zinc/91/43/64/845914364.db2.gz FKRAUDUEOMISMW-MGNMTHHWSA-N 1 2 284.787 0.950 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192813263 845914367 /nfs/dbraw/zinc/91/43/67/845914367.db2.gz FKRAUDUEOMISMW-MGNMTHHWSA-N 1 2 284.787 0.950 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001193001724 845950668 /nfs/dbraw/zinc/95/06/68/845950668.db2.gz SZMVFVFVMRWXJE-UHFFFAOYSA-N 1 2 254.315 0.551 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001193001768 845951527 /nfs/dbraw/zinc/95/15/27/845951527.db2.gz URRYFSVLEAIBMN-UHFFFAOYSA-N 1 2 268.342 0.626 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001193002287 845952792 /nfs/dbraw/zinc/95/27/92/845952792.db2.gz AZIFJCASNGRVLD-GFCCVEGCSA-N 1 2 297.355 0.843 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001193002287 845952799 /nfs/dbraw/zinc/95/27/99/845952799.db2.gz AZIFJCASNGRVLD-GFCCVEGCSA-N 1 2 297.355 0.843 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc(N)cc2C)CC1 ZINC001194350022 846272122 /nfs/dbraw/zinc/27/21/22/846272122.db2.gz HLCCDQJXUYDWMQ-UHFFFAOYSA-N 1 2 260.341 0.916 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC001194629803 846334329 /nfs/dbraw/zinc/33/43/29/846334329.db2.gz RIOMXVXEKJWIFX-UHFFFAOYSA-N 1 2 274.311 0.826 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC001194629803 846334339 /nfs/dbraw/zinc/33/43/39/846334339.db2.gz RIOMXVXEKJWIFX-UHFFFAOYSA-N 1 2 274.311 0.826 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cccnc2)CC1 ZINC001194665999 846350670 /nfs/dbraw/zinc/35/06/70/846350670.db2.gz LJQQXXOLMPLDOB-UHFFFAOYSA-N 1 2 287.363 0.879 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cccnc2)CC1 ZINC001194665999 846350677 /nfs/dbraw/zinc/35/06/77/846350677.db2.gz LJQQXXOLMPLDOB-UHFFFAOYSA-N 1 2 287.363 0.879 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCC=C)CC1 ZINC001195191250 846473260 /nfs/dbraw/zinc/47/32/60/846473260.db2.gz FZZBWQHZGIYJOS-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCC=C)CC1 ZINC001195191250 846473264 /nfs/dbraw/zinc/47/32/64/846473264.db2.gz FZZBWQHZGIYJOS-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](OC)C1CC1)CO2 ZINC001273695714 846496699 /nfs/dbraw/zinc/49/66/99/846496699.db2.gz HLVMOQOSGAJFJQ-UONOGXRCSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001196352366 846730274 /nfs/dbraw/zinc/73/02/74/846730274.db2.gz RAAZHMHZWVDHOM-RKDXNWHRSA-N 1 2 276.258 0.123 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001196352366 846730263 /nfs/dbraw/zinc/73/02/63/846730263.db2.gz RAAZHMHZWVDHOM-RKDXNWHRSA-N 1 2 276.258 0.123 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774422 846804489 /nfs/dbraw/zinc/80/44/89/846804489.db2.gz FFWPXYSJPLQTIX-QWHCGFSZSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774422 846804493 /nfs/dbraw/zinc/80/44/93/846804493.db2.gz FFWPXYSJPLQTIX-QWHCGFSZSA-N 1 2 297.374 0.407 20 30 CCEDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001197432156 846911354 /nfs/dbraw/zinc/91/13/54/846911354.db2.gz NWCHECDRXPWRNN-ZDUSSCGKSA-N 1 2 277.324 0.821 20 30 CCEDLO C#CCN1CC2(C[NH+](CCCCF)C2)OCC1=O ZINC001273754300 846986709 /nfs/dbraw/zinc/98/67/09/846986709.db2.gz MDFQDKCPHGBERI-UHFFFAOYSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nonc1C ZINC001273985555 848201404 /nfs/dbraw/zinc/20/14/04/848201404.db2.gz OMXOPPMTHJFUEY-HNNXBMFYSA-N 1 2 288.351 0.968 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nonc1C ZINC001273985555 848201410 /nfs/dbraw/zinc/20/14/10/848201410.db2.gz OMXOPPMTHJFUEY-HNNXBMFYSA-N 1 2 288.351 0.968 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(C1)COCC(=O)N2C ZINC001274039931 848315022 /nfs/dbraw/zinc/31/50/22/848315022.db2.gz PDWJCGOUZZPXON-UHFFFAOYSA-N 1 2 285.347 0.910 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274039342 848316066 /nfs/dbraw/zinc/31/60/66/848316066.db2.gz BNLTUSPCKXFRGP-UHFFFAOYSA-N 1 2 263.341 0.779 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CC(C)(C)CO)C2)OCC1=O ZINC001274055454 848330933 /nfs/dbraw/zinc/33/09/33/848330933.db2.gz JQPPAOPJUGJZBF-UHFFFAOYSA-N 1 2 282.384 0.494 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130015 848357049 /nfs/dbraw/zinc/35/70/49/848357049.db2.gz KLRGSZYYZPMLTK-AWEZNQCLSA-N 1 2 275.356 0.568 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130015 848357052 /nfs/dbraw/zinc/35/70/52/848357052.db2.gz KLRGSZYYZPMLTK-AWEZNQCLSA-N 1 2 275.356 0.568 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110875966 848420088 /nfs/dbraw/zinc/42/00/88/848420088.db2.gz UTWWPQZJEDJBQS-UPJWGTAASA-N 1 2 273.340 0.518 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cncc(O)c2)C1=O ZINC001274283099 848439174 /nfs/dbraw/zinc/43/91/74/848439174.db2.gz FIRHBPVUWCRHMY-INIZCTEOSA-N 1 2 285.347 0.987 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cncc(O)c2)C1=O ZINC001274283099 848439179 /nfs/dbraw/zinc/43/91/79/848439179.db2.gz FIRHBPVUWCRHMY-INIZCTEOSA-N 1 2 285.347 0.987 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@@H](O)CCC)C2)OCC1=O ZINC001274631541 848527707 /nfs/dbraw/zinc/52/77/07/848527707.db2.gz RWMUXLCGXJIKJT-LBPRGKRZSA-N 1 2 268.357 0.247 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)cc3F)C[C@@H](C1)O2 ZINC001274856068 848578285 /nfs/dbraw/zinc/57/82/85/848578285.db2.gz WLXVCMUSQNXQOP-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)cc3F)C[C@@H](C1)O2 ZINC001274856068 848578287 /nfs/dbraw/zinc/57/82/87/848578287.db2.gz WLXVCMUSQNXQOP-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2=COCCC2)C1 ZINC001276037815 848904442 /nfs/dbraw/zinc/90/44/42/848904442.db2.gz NPPFYNTZYRLUSF-UHFFFAOYSA-N 1 2 278.352 0.257 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2ccco2)C1 ZINC001276094500 848925459 /nfs/dbraw/zinc/92/54/59/848925459.db2.gz LBCFILZIOWJQON-UHFFFAOYSA-N 1 2 276.336 0.398 20 30 CCEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](C(C)C)C2)nc1 ZINC001276100691 848927433 /nfs/dbraw/zinc/92/74/33/848927433.db2.gz FRXKOPCVEWRORF-UHFFFAOYSA-N 1 2 287.363 0.638 20 30 CCEDLO C=C(C)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001276107650 848928462 /nfs/dbraw/zinc/92/84/62/848928462.db2.gz IIRGZDLVDIKVFF-UHFFFAOYSA-N 1 2 278.356 0.012 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCF)C2 ZINC001110906614 849021448 /nfs/dbraw/zinc/02/14/48/849021448.db2.gz BBASUSAOTVLGMZ-UTUOFQBUSA-N 1 2 296.346 0.097 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCF)C2 ZINC001110906614 849021450 /nfs/dbraw/zinc/02/14/50/849021450.db2.gz BBASUSAOTVLGMZ-UTUOFQBUSA-N 1 2 296.346 0.097 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1=COCCO1 ZINC001038028446 849647330 /nfs/dbraw/zinc/64/73/30/849647330.db2.gz OXUKSUGDBVZEHI-NSHDSACASA-N 1 2 250.298 0.088 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1=COCCO1 ZINC001038028446 849647335 /nfs/dbraw/zinc/64/73/35/849647335.db2.gz OXUKSUGDBVZEHI-NSHDSACASA-N 1 2 250.298 0.088 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001038629885 849729465 /nfs/dbraw/zinc/72/94/65/849729465.db2.gz KEKXREWJYDGGTD-OCCSQVGLSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001038629885 849729470 /nfs/dbraw/zinc/72/94/70/849729470.db2.gz KEKXREWJYDGGTD-OCCSQVGLSA-N 1 2 286.379 0.349 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnnn1CC ZINC001038228640 849824758 /nfs/dbraw/zinc/82/47/58/849824758.db2.gz FMCQDIGASPRZDO-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnnn1CC ZINC001038228640 849824767 /nfs/dbraw/zinc/82/47/67/849824767.db2.gz FMCQDIGASPRZDO-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038283920 849839351 /nfs/dbraw/zinc/83/93/51/849839351.db2.gz IXCADDRAKAKVDV-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038283920 849839346 /nfs/dbraw/zinc/83/93/46/849839346.db2.gz IXCADDRAKAKVDV-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038320152 849848820 /nfs/dbraw/zinc/84/88/20/849848820.db2.gz XHVLIEHLGKQRCC-LLVKDONJSA-N 1 2 274.324 0.231 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038320152 849848824 /nfs/dbraw/zinc/84/88/24/849848824.db2.gz XHVLIEHLGKQRCC-LLVKDONJSA-N 1 2 274.324 0.231 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038320017 849849093 /nfs/dbraw/zinc/84/90/93/849849093.db2.gz BCRLGWZLTGDVKF-JTQLQIEISA-N 1 2 277.299 0.667 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038320017 849849098 /nfs/dbraw/zinc/84/90/98/849849098.db2.gz BCRLGWZLTGDVKF-JTQLQIEISA-N 1 2 277.299 0.667 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038317278 849849184 /nfs/dbraw/zinc/84/91/84/849849184.db2.gz BNGLKJNPCVREGD-LBPRGKRZSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038317278 849849190 /nfs/dbraw/zinc/84/91/90/849849190.db2.gz BNGLKJNPCVREGD-LBPRGKRZSA-N 1 2 258.325 0.267 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001038352348 849861382 /nfs/dbraw/zinc/86/13/82/849861382.db2.gz MGTHWYZROAITOV-LLVKDONJSA-N 1 2 284.323 0.180 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001038352348 849861387 /nfs/dbraw/zinc/86/13/87/849861387.db2.gz MGTHWYZROAITOV-LLVKDONJSA-N 1 2 284.323 0.180 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001038412213 849884940 /nfs/dbraw/zinc/88/49/40/849884940.db2.gz VNHIOHIHZSVHHC-LBPRGKRZSA-N 1 2 288.351 0.241 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001038412213 849884941 /nfs/dbraw/zinc/88/49/41/849884941.db2.gz VNHIOHIHZSVHHC-LBPRGKRZSA-N 1 2 288.351 0.241 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038424271 849890258 /nfs/dbraw/zinc/89/02/58/849890258.db2.gz MGRGJKDGTIAYSE-TZMCWYRMSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038424271 849890262 /nfs/dbraw/zinc/89/02/62/849890262.db2.gz MGRGJKDGTIAYSE-TZMCWYRMSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001038462536 849913251 /nfs/dbraw/zinc/91/32/51/849913251.db2.gz KEQZHIGUQHBXGG-LLVKDONJSA-N 1 2 287.319 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001038462536 849913256 /nfs/dbraw/zinc/91/32/56/849913256.db2.gz KEQZHIGUQHBXGG-LLVKDONJSA-N 1 2 287.319 0.290 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637156 849967532 /nfs/dbraw/zinc/96/75/32/849967532.db2.gz FKTQQXCVEJOKRI-UONOGXRCSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637156 849967536 /nfs/dbraw/zinc/96/75/36/849967536.db2.gz FKTQQXCVEJOKRI-UONOGXRCSA-N 1 2 269.348 0.935 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001038913246 850082073 /nfs/dbraw/zinc/08/20/73/850082073.db2.gz WQEWLAQXJWCDSB-ZDUSSCGKSA-N 1 2 296.334 0.595 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001038923632 850087930 /nfs/dbraw/zinc/08/79/30/850087930.db2.gz ZTLZAEUXVNTTNE-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001038923632 850087935 /nfs/dbraw/zinc/08/79/35/850087935.db2.gz ZTLZAEUXVNTTNE-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001038976403 850108711 /nfs/dbraw/zinc/10/87/11/850108711.db2.gz PSRSJAPJJNPBFC-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001038976403 850108715 /nfs/dbraw/zinc/10/87/15/850108715.db2.gz PSRSJAPJJNPBFC-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC001039045991 850137529 /nfs/dbraw/zinc/13/75/29/850137529.db2.gz VDHIFECUQRUHGH-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC001039045991 850137536 /nfs/dbraw/zinc/13/75/36/850137536.db2.gz VDHIFECUQRUHGH-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039070315 850146451 /nfs/dbraw/zinc/14/64/51/850146451.db2.gz QMUHBMHXXJXOGE-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039070315 850146456 /nfs/dbraw/zinc/14/64/56/850146456.db2.gz QMUHBMHXXJXOGE-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001042636239 850719561 /nfs/dbraw/zinc/71/95/61/850719561.db2.gz JMJAKTJXTLSBIC-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001042737526 850747568 /nfs/dbraw/zinc/74/75/68/850747568.db2.gz LKCMIBQGDZIKPR-DGCLKSJQSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001043074573 850810018 /nfs/dbraw/zinc/81/00/18/850810018.db2.gz SSOLPQUJJMPALU-HNNXBMFYSA-N 1 2 277.368 0.069 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001043135386 850820702 /nfs/dbraw/zinc/82/07/02/850820702.db2.gz HANWXUZOYBASKR-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001043208304 850835587 /nfs/dbraw/zinc/83/55/87/850835587.db2.gz IZIFOVDBMPDLCX-UHFFFAOYSA-N 1 2 261.325 0.328 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001043287016 850846170 /nfs/dbraw/zinc/84/61/70/850846170.db2.gz OEMINPLURJYBQP-NSHDSACASA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCO[C@H]2C)C1 ZINC001043457057 850876461 /nfs/dbraw/zinc/87/64/61/850876461.db2.gz TUISEOYQTDUVBE-WFASDCNBSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n2CCCC3)C1 ZINC001043618279 850909332 /nfs/dbraw/zinc/90/93/32/850909332.db2.gz XXEAJGFXXKIBJC-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cncnc2)C1 ZINC001043618540 850912050 /nfs/dbraw/zinc/91/20/50/850912050.db2.gz GMQHPKCSKWJIFR-LLVKDONJSA-N 1 2 260.341 0.909 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043630345 850913466 /nfs/dbraw/zinc/91/34/66/850913466.db2.gz YVLKDSNKGMPQIE-HNNXBMFYSA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043630345 850913470 /nfs/dbraw/zinc/91/34/70/850913470.db2.gz YVLKDSNKGMPQIE-HNNXBMFYSA-N 1 2 295.427 0.814 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)N2CCOCC2)C1 ZINC001044050955 850992932 /nfs/dbraw/zinc/99/29/32/850992932.db2.gz HFLHWEROCCDWMG-UHFFFAOYSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2F)C1 ZINC001044241330 851051754 /nfs/dbraw/zinc/05/17/54/851051754.db2.gz BFMZLDDNVONZFH-UHFFFAOYSA-N 1 2 278.331 0.647 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ccccc2=O)C1 ZINC001044279137 851060224 /nfs/dbraw/zinc/06/02/24/851060224.db2.gz BJQHQWAEFYAOCB-UHFFFAOYSA-N 1 2 275.352 0.567 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044836330 851167433 /nfs/dbraw/zinc/16/74/33/851167433.db2.gz JWYRGRKNYCAACC-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440733 851506757 /nfs/dbraw/zinc/50/67/57/851506757.db2.gz UKLCVXLRTAQEDN-HNNXBMFYSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440733 851506761 /nfs/dbraw/zinc/50/67/61/851506761.db2.gz UKLCVXLRTAQEDN-HNNXBMFYSA-N 1 2 272.352 0.726 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046591408 851558045 /nfs/dbraw/zinc/55/80/45/851558045.db2.gz YMENBYLHRQQSRN-CYBMUJFWSA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046591408 851558048 /nfs/dbraw/zinc/55/80/48/851558048.db2.gz YMENBYLHRQQSRN-CYBMUJFWSA-N 1 2 264.329 0.506 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001047479588 851780549 /nfs/dbraw/zinc/78/05/49/851780549.db2.gz TURBUGAYQWOIAC-KBPBESRZSA-N 1 2 290.367 0.113 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001047479588 851780554 /nfs/dbraw/zinc/78/05/54/851780554.db2.gz TURBUGAYQWOIAC-KBPBESRZSA-N 1 2 290.367 0.113 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001049051485 852150342 /nfs/dbraw/zinc/15/03/42/852150342.db2.gz PVNCSIAFEVVEPZ-XQQFMLRXSA-N 1 2 299.378 0.743 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnon1 ZINC001049371640 852246643 /nfs/dbraw/zinc/24/66/43/852246643.db2.gz GUWXFHUQXYAHCP-WXHSDQCUSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnon1 ZINC001049371640 852246651 /nfs/dbraw/zinc/24/66/51/852246651.db2.gz GUWXFHUQXYAHCP-WXHSDQCUSA-N 1 2 289.339 0.795 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#N ZINC001049868684 852389403 /nfs/dbraw/zinc/38/94/03/852389403.db2.gz VWFKGWFZHOBSDA-KBPBESRZSA-N 1 2 287.367 0.850 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097078187 852496555 /nfs/dbraw/zinc/49/65/55/852496555.db2.gz RHXDCGWENBKMGT-MXWKQRLJSA-N 1 2 296.762 0.147 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097078187 852496561 /nfs/dbraw/zinc/49/65/61/852496561.db2.gz RHXDCGWENBKMGT-MXWKQRLJSA-N 1 2 296.762 0.147 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372457 852531898 /nfs/dbraw/zinc/53/18/98/852531898.db2.gz CHLCMCMFEZAJGM-MXYBEHONSA-N 1 2 299.378 0.691 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(F)F)C2)CC1 ZINC001051962663 852547829 /nfs/dbraw/zinc/54/78/29/852547829.db2.gz GOKDBHLMTQWCIP-LLVKDONJSA-N 1 2 271.311 0.103 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCOC1)CCO2 ZINC001053198555 852707873 /nfs/dbraw/zinc/70/78/73/852707873.db2.gz JMMWACOUKMSOII-CQSZACIVSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncccn1)O2 ZINC001053677789 852776515 /nfs/dbraw/zinc/77/65/15/852776515.db2.gz JOEIMVSFRMCPCO-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn[nH]1)CO2 ZINC001053744463 852799526 /nfs/dbraw/zinc/79/95/26/852799526.db2.gz ODPSDYKPPGJBGV-LLVKDONJSA-N 1 2 274.324 0.006 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCOC1)CO2 ZINC001053755934 852807210 /nfs/dbraw/zinc/80/72/10/852807210.db2.gz LZBFSAUVYVZLEF-KBPBESRZSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc[nH]1)CO2 ZINC001053797909 852824569 /nfs/dbraw/zinc/82/45/69/852824569.db2.gz KWIXDVKXWISVEP-LLVKDONJSA-N 1 2 274.324 0.006 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861871 852833979 /nfs/dbraw/zinc/83/39/79/852833979.db2.gz XTUHYXREDCGDMP-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn[nH]1)CO2 ZINC001053861871 852833990 /nfs/dbraw/zinc/83/39/90/852833990.db2.gz XTUHYXREDCGDMP-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053898497 852841762 /nfs/dbraw/zinc/84/17/62/852841762.db2.gz LYOFUXIGMCYXRG-AVGNSLFASA-N 1 2 262.353 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnon1)CO2 ZINC001053962382 852857348 /nfs/dbraw/zinc/85/73/48/852857348.db2.gz QTKCHYCTJRGAIC-SNVBAGLBSA-N 1 2 278.312 0.219 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2C1 ZINC001054290019 852900854 /nfs/dbraw/zinc/90/08/54/852900854.db2.gz YWDVHUIJXPPPPK-HNNXBMFYSA-N 1 2 297.358 0.530 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2C1 ZINC001054290019 852900859 /nfs/dbraw/zinc/90/08/59/852900859.db2.gz YWDVHUIJXPPPPK-HNNXBMFYSA-N 1 2 297.358 0.530 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)o1 ZINC001054638918 852986344 /nfs/dbraw/zinc/98/63/44/852986344.db2.gz REAOHGCRMVMKLW-ZWNOBZJWSA-N 1 2 288.351 0.728 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050214897 853338012 /nfs/dbraw/zinc/33/80/12/853338012.db2.gz UNZRHECBKJBOBV-QWHCGFSZSA-N 1 2 273.340 0.329 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001050612000 853402478 /nfs/dbraw/zinc/40/24/78/853402478.db2.gz LDDZHZWDIONDPS-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001050810552 853444189 /nfs/dbraw/zinc/44/41/89/853444189.db2.gz SRRFMFBHZWRQAU-AWEZNQCLSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001050810552 853444193 /nfs/dbraw/zinc/44/41/93/853444193.db2.gz SRRFMFBHZWRQAU-AWEZNQCLSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001050846850 853459047 /nfs/dbraw/zinc/45/90/47/853459047.db2.gz ZETZGFCCIFAWAV-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001050846850 853459052 /nfs/dbraw/zinc/45/90/52/853459052.db2.gz ZETZGFCCIFAWAV-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001050873774 853471579 /nfs/dbraw/zinc/47/15/79/853471579.db2.gz XYMFBKXMDBLFOK-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001050873774 853471583 /nfs/dbraw/zinc/47/15/83/853471583.db2.gz XYMFBKXMDBLFOK-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC001050879849 853473079 /nfs/dbraw/zinc/47/30/79/853473079.db2.gz JDBMWGMZCAKVHF-AWEZNQCLSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC001050879849 853473080 /nfs/dbraw/zinc/47/30/80/853473080.db2.gz JDBMWGMZCAKVHF-AWEZNQCLSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnon1 ZINC001051175950 853540768 /nfs/dbraw/zinc/54/07/68/853540768.db2.gz HGBZXMFZIPNNGF-LLVKDONJSA-N 1 2 280.328 0.466 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnon1 ZINC001051175950 853540771 /nfs/dbraw/zinc/54/07/71/853540771.db2.gz HGBZXMFZIPNNGF-LLVKDONJSA-N 1 2 280.328 0.466 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccn3)C2)CC1 ZINC001051968255 853666039 /nfs/dbraw/zinc/66/60/39/853666039.db2.gz ATQHQLMMIICFTF-OAHLLOKOSA-N 1 2 298.390 0.547 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051998653 853667357 /nfs/dbraw/zinc/66/73/57/853667357.db2.gz XDPSLWMPJDENMC-STQMWFEESA-N 1 2 282.363 0.334 20 30 CCEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058422397 853842630 /nfs/dbraw/zinc/84/26/30/853842630.db2.gz DAIPNXHSXRCMRQ-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058938 853882752 /nfs/dbraw/zinc/88/27/52/853882752.db2.gz GRFMTGAZWQQHMU-NSHDSACASA-N 1 2 276.340 0.742 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001069895571 853997019 /nfs/dbraw/zinc/99/70/19/853997019.db2.gz AYYYEEUJHWYFEY-KFWWJZLASA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](n2ccnn2)C1 ZINC001069895571 853997024 /nfs/dbraw/zinc/99/70/24/853997024.db2.gz AYYYEEUJHWYFEY-KFWWJZLASA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069985003 854013161 /nfs/dbraw/zinc/01/31/61/854013161.db2.gz WUGIHBFOXVSXGE-HGTKMLMNSA-N 1 2 299.378 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069985003 854013168 /nfs/dbraw/zinc/01/31/68/854013168.db2.gz WUGIHBFOXVSXGE-HGTKMLMNSA-N 1 2 299.378 0.443 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070082859 854023373 /nfs/dbraw/zinc/02/33/73/854023373.db2.gz YNOGYNYILWOIBX-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070082859 854023381 /nfs/dbraw/zinc/02/33/81/854023381.db2.gz YNOGYNYILWOIBX-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO C=CC[N@@H+](CC[C@@H]1CCNC1=O)CC(=O)OCC ZINC000395877442 854347981 /nfs/dbraw/zinc/34/79/81/854347981.db2.gz HKFLCJMTOCVXDD-NSHDSACASA-N 1 2 254.330 0.564 20 30 CCEDLO C=CC[N@H+](CC[C@@H]1CCNC1=O)CC(=O)OCC ZINC000395877442 854347986 /nfs/dbraw/zinc/34/79/86/854347986.db2.gz HKFLCJMTOCVXDD-NSHDSACASA-N 1 2 254.330 0.564 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074118595 854673423 /nfs/dbraw/zinc/67/34/23/854673423.db2.gz JWTHLXICIMGOKG-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074118595 854673427 /nfs/dbraw/zinc/67/34/27/854673427.db2.gz JWTHLXICIMGOKG-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001099052194 854909874 /nfs/dbraw/zinc/90/98/74/854909874.db2.gz UGUSKWONAIKRHQ-FZMZJTMJSA-N 1 2 273.340 0.446 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001100042823 855080975 /nfs/dbraw/zinc/08/09/75/855080975.db2.gz PENHJALXPSWBDK-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=CCOCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101546253 855313527 /nfs/dbraw/zinc/31/35/27/855313527.db2.gz RSAKXZFCCAVGTK-UHFFFAOYSA-N 1 2 264.329 0.858 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567690 855317936 /nfs/dbraw/zinc/31/79/36/855317936.db2.gz WGZHHOIFOCKVNF-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975828 855402731 /nfs/dbraw/zinc/40/27/31/855402731.db2.gz SCCKJJLKTQPOKV-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089997 855567227 /nfs/dbraw/zinc/56/72/27/855567227.db2.gz UBVDADWXXYAUCM-GFCCVEGCSA-N 1 2 290.367 0.989 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001117786169 856079215 /nfs/dbraw/zinc/07/92/15/856079215.db2.gz JMHXXPKLHGFHAL-GHMZBOCLSA-N 1 2 260.297 0.196 20 30 CCEDLO CC(C)(CC[NH3+])NC(=O)CCNC(O)=C1N=CC=CC1=O ZINC001118285063 856243413 /nfs/dbraw/zinc/24/34/13/856243413.db2.gz SCVBJQCTUSNVBX-OUKQBFOZSA-N 1 2 294.355 0.147 20 30 CCEDLO C=C[C@@H](COC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001119339972 856641562 /nfs/dbraw/zinc/64/15/62/856641562.db2.gz HTXSOJWDTKOZPG-JTQLQIEISA-N 1 2 259.331 0.004 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001119345059 856643508 /nfs/dbraw/zinc/64/35/08/856643508.db2.gz FGIQBFQZQMMZAL-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001119345059 856643516 /nfs/dbraw/zinc/64/35/16/856643516.db2.gz FGIQBFQZQMMZAL-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCCCOC ZINC001323337124 912281631 /nfs/dbraw/zinc/28/16/31/912281631.db2.gz UXIPGNNOFAAXIN-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCCCOC ZINC001323337124 912281644 /nfs/dbraw/zinc/28/16/44/912281644.db2.gz UXIPGNNOFAAXIN-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnon2)CC1 ZINC001393055646 912359699 /nfs/dbraw/zinc/35/96/99/912359699.db2.gz BWBBJEZOSKAHCP-SNVBAGLBSA-N 1 2 277.328 0.700 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2cncnc2)C1 ZINC001323954854 912599022 /nfs/dbraw/zinc/59/90/22/912599022.db2.gz PGIWHOPBGLTSHP-UHFFFAOYSA-N 1 2 260.341 0.738 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001394028848 912923097 /nfs/dbraw/zinc/92/30/97/912923097.db2.gz CYYYEZDTHKLXNN-VHSXEESVSA-N 1 2 275.780 0.700 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001394028848 912923105 /nfs/dbraw/zinc/92/31/05/912923105.db2.gz CYYYEZDTHKLXNN-VHSXEESVSA-N 1 2 275.780 0.700 20 30 CCEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC001324747137 913010981 /nfs/dbraw/zinc/01/09/81/913010981.db2.gz YGPFDOXGVOJSDQ-RRFJBIMHSA-N 1 2 295.383 0.776 20 30 CCEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC001324747137 913010998 /nfs/dbraw/zinc/01/09/98/913010998.db2.gz YGPFDOXGVOJSDQ-RRFJBIMHSA-N 1 2 295.383 0.776 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCc2ccoc2)C1 ZINC001325198070 913270014 /nfs/dbraw/zinc/27/00/14/913270014.db2.gz DYPNBUCUCKGKNF-UHFFFAOYSA-N 1 2 276.336 0.398 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001480882577 891541796 /nfs/dbraw/zinc/54/17/96/891541796.db2.gz PEJIDRUFCCEQHR-UHFFFAOYSA-N 1 2 285.363 0.619 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001480882577 891541807 /nfs/dbraw/zinc/54/18/07/891541807.db2.gz PEJIDRUFCCEQHR-UHFFFAOYSA-N 1 2 285.363 0.619 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049591 892661364 /nfs/dbraw/zinc/66/13/64/892661364.db2.gz SXTXBYIPBLEIRH-NEPJUHHUSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049591 892661374 /nfs/dbraw/zinc/66/13/74/892661374.db2.gz SXTXBYIPBLEIRH-NEPJUHHUSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC001342049591 892661379 /nfs/dbraw/zinc/66/13/79/892661379.db2.gz SXTXBYIPBLEIRH-NEPJUHHUSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC001342049591 892661391 /nfs/dbraw/zinc/66/13/91/892661391.db2.gz SXTXBYIPBLEIRH-NEPJUHHUSA-N 1 2 263.341 0.847 20 30 CCEDLO CN(CC#N)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481495238 892745543 /nfs/dbraw/zinc/74/55/43/892745543.db2.gz HVZXVIJHCDJPIQ-ZDUSSCGKSA-N 1 2 275.356 0.577 20 30 CCEDLO CC(C)OCC[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001481554664 892819353 /nfs/dbraw/zinc/81/93/53/892819353.db2.gz HBQFBACMAOBLBK-UHFFFAOYSA-N 1 2 276.340 0.725 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001481610528 892898167 /nfs/dbraw/zinc/89/81/67/892898167.db2.gz MYVIHAARPKFBHG-SECBINFHSA-N 1 2 273.764 0.312 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001481667412 892985979 /nfs/dbraw/zinc/98/59/79/892985979.db2.gz QGLOZBAQALJJID-SNPRPXQTSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001481667412 892985991 /nfs/dbraw/zinc/98/59/91/892985991.db2.gz QGLOZBAQALJJID-SNPRPXQTSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001481706011 893053542 /nfs/dbraw/zinc/05/35/42/893053542.db2.gz JNTQDRLOWZYKGL-CZUORRHYSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001481706011 893053563 /nfs/dbraw/zinc/05/35/63/893053563.db2.gz JNTQDRLOWZYKGL-CZUORRHYSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001482193717 893493848 /nfs/dbraw/zinc/49/38/48/893493848.db2.gz YTRNBMCQRJGBPG-CQSZACIVSA-N 1 2 293.367 0.648 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001482193717 893493854 /nfs/dbraw/zinc/49/38/54/893493854.db2.gz YTRNBMCQRJGBPG-CQSZACIVSA-N 1 2 293.367 0.648 20 30 CCEDLO C#CCN1CCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001482201500 893531942 /nfs/dbraw/zinc/53/19/42/893531942.db2.gz YBSHEXJVILGKNE-KBPBESRZSA-N 1 2 290.367 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001409606521 895274837 /nfs/dbraw/zinc/27/48/37/895274837.db2.gz YVTSKALBSJQZCP-WCBMZHEXSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001409606521 895274847 /nfs/dbraw/zinc/27/48/47/895274847.db2.gz YVTSKALBSJQZCP-WCBMZHEXSA-N 1 2 275.780 0.687 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001483388160 895531056 /nfs/dbraw/zinc/53/10/56/895531056.db2.gz JZONNDOQHKJXCN-LLVKDONJSA-N 1 2 263.345 0.197 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001483388160 895531065 /nfs/dbraw/zinc/53/10/65/895531065.db2.gz JZONNDOQHKJXCN-LLVKDONJSA-N 1 2 263.345 0.197 20 30 CCEDLO CC#CC[N@H+](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 ZINC001483388161 895531208 /nfs/dbraw/zinc/53/12/08/895531208.db2.gz JZONNDOQHKJXCN-NSHDSACASA-N 1 2 263.345 0.197 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 ZINC001483388161 895531218 /nfs/dbraw/zinc/53/12/18/895531218.db2.gz JZONNDOQHKJXCN-NSHDSACASA-N 1 2 263.345 0.197 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001483856537 896078910 /nfs/dbraw/zinc/07/89/10/896078910.db2.gz BPAXFNRKENUGBT-UHFFFAOYSA-N 1 2 278.356 0.297 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](CC)OCC)C1 ZINC001484262034 896288302 /nfs/dbraw/zinc/28/83/02/896288302.db2.gz IMCSNCKJPOBCRN-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO CC#CCN1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001484601776 896489046 /nfs/dbraw/zinc/48/90/46/896489046.db2.gz WEKDJNNRQUELJY-AWEZNQCLSA-N 1 2 290.367 0.114 20 30 CCEDLO C=C(C)CN1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001484599365 896489123 /nfs/dbraw/zinc/48/91/23/896489123.db2.gz HLMKPTFVXFBICT-AWEZNQCLSA-N 1 2 292.383 0.666 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001326671332 914088988 /nfs/dbraw/zinc/08/89/88/914088988.db2.gz XBFMONVDXZGDNF-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001326671332 914089006 /nfs/dbraw/zinc/08/90/06/914089006.db2.gz XBFMONVDXZGDNF-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(F)nc2)C1 ZINC001485400392 897035346 /nfs/dbraw/zinc/03/53/46/897035346.db2.gz FESZCOAKECQADD-UHFFFAOYSA-N 1 2 291.326 0.411 20 30 CCEDLO CCCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C#N)C1 ZINC001485497216 897081157 /nfs/dbraw/zinc/08/11/57/897081157.db2.gz NFHJXOYXMUIGMK-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001485500144 897085293 /nfs/dbraw/zinc/08/52/93/897085293.db2.gz WWBTZNIOAZUZKU-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107833258 897328993 /nfs/dbraw/zinc/32/89/93/897328993.db2.gz FUFUVPNINIARGB-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107833258 897329004 /nfs/dbraw/zinc/32/90/04/897329004.db2.gz FUFUVPNINIARGB-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908369 897483998 /nfs/dbraw/zinc/48/39/98/897483998.db2.gz MUDCMWNEFGMZCT-GDBMZVCRSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908369 897484003 /nfs/dbraw/zinc/48/40/03/897484003.db2.gz MUDCMWNEFGMZCT-GDBMZVCRSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC)n2)C1 ZINC001107919849 897500411 /nfs/dbraw/zinc/50/04/11/897500411.db2.gz GTAMZOKDWNMIRJ-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC)n2)C1 ZINC001107919849 897500418 /nfs/dbraw/zinc/50/04/18/897500418.db2.gz GTAMZOKDWNMIRJ-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001107941417 897535639 /nfs/dbraw/zinc/53/56/39/897535639.db2.gz FMQXISZELAROIK-HIFRSBDPSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001107941417 897535652 /nfs/dbraw/zinc/53/56/52/897535652.db2.gz FMQXISZELAROIK-HIFRSBDPSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ncccc12 ZINC001032448728 897579808 /nfs/dbraw/zinc/57/98/08/897579808.db2.gz WBQMHBVGOYRRMX-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ncccc12 ZINC001032448728 897579816 /nfs/dbraw/zinc/57/98/16/897579816.db2.gz WBQMHBVGOYRRMX-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCOC ZINC001032466334 897605156 /nfs/dbraw/zinc/60/51/56/897605156.db2.gz SEKHFOHVJBBHKV-STQMWFEESA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCOC ZINC001032466334 897605165 /nfs/dbraw/zinc/60/51/65/897605165.db2.gz SEKHFOHVJBBHKV-STQMWFEESA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccn2cn1 ZINC001032470553 897612731 /nfs/dbraw/zinc/61/27/31/897612731.db2.gz WXSCHUFRHRDZGU-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccn2cn1 ZINC001032470553 897612744 /nfs/dbraw/zinc/61/27/44/897612744.db2.gz WXSCHUFRHRDZGU-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 ZINC001032510265 897673550 /nfs/dbraw/zinc/67/35/50/897673550.db2.gz OBPXCOZTXWCGAI-UWVGGRQHSA-N 1 2 275.308 0.463 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 ZINC001032510265 897673555 /nfs/dbraw/zinc/67/35/55/897673555.db2.gz OBPXCOZTXWCGAI-UWVGGRQHSA-N 1 2 275.308 0.463 20 30 CCEDLO CS(=O)(=O)CCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC001326797629 914183514 /nfs/dbraw/zinc/18/35/14/914183514.db2.gz RTASSZKBVNIRAQ-NSHDSACASA-N 1 2 260.359 0.162 20 30 CCEDLO CS(=O)(=O)CCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC001326797629 914183523 /nfs/dbraw/zinc/18/35/23/914183523.db2.gz RTASSZKBVNIRAQ-NSHDSACASA-N 1 2 260.359 0.162 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)n1 ZINC001032661219 897910039 /nfs/dbraw/zinc/91/00/39/897910039.db2.gz VSJRMBJHLMISKA-STQMWFEESA-N 1 2 282.347 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)n1 ZINC001032661219 897910047 /nfs/dbraw/zinc/91/00/47/897910047.db2.gz VSJRMBJHLMISKA-STQMWFEESA-N 1 2 282.347 0.886 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCOC1 ZINC001032703446 897944107 /nfs/dbraw/zinc/94/41/07/897944107.db2.gz VEDQKZIUUFZOEB-KCQAQPDRSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCOC1 ZINC001032703446 897944121 /nfs/dbraw/zinc/94/41/21/897944121.db2.gz VEDQKZIUUFZOEB-KCQAQPDRSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001077870840 897988885 /nfs/dbraw/zinc/98/88/85/897988885.db2.gz PPLQYVJTPFMSMD-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001077870840 897988905 /nfs/dbraw/zinc/98/89/05/897988905.db2.gz PPLQYVJTPFMSMD-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO COCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001272843680 898069659 /nfs/dbraw/zinc/06/96/59/898069659.db2.gz UFDKZISDCPYMMZ-KGLIPLIRSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001272843680 898069671 /nfs/dbraw/zinc/06/96/71/898069671.db2.gz UFDKZISDCPYMMZ-KGLIPLIRSA-N 1 2 297.399 0.780 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C(C)=O)C1 ZINC001032758612 898116138 /nfs/dbraw/zinc/11/61/38/898116138.db2.gz ZMCXPLKPAGOPBN-KKUMJFAQSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C(C)=O)C1 ZINC001032758612 898116149 /nfs/dbraw/zinc/11/61/49/898116149.db2.gz ZMCXPLKPAGOPBN-KKUMJFAQSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001078149473 898271976 /nfs/dbraw/zinc/27/19/76/898271976.db2.gz GKZWDUKUVYJYFK-HUUCEWRRSA-N 1 2 286.375 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001078149473 898271989 /nfs/dbraw/zinc/27/19/89/898271989.db2.gz GKZWDUKUVYJYFK-HUUCEWRRSA-N 1 2 286.375 0.759 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123149 898274751 /nfs/dbraw/zinc/27/47/51/898274751.db2.gz BVSMSSMXYMKHPW-LBPRGKRZSA-N 1 2 272.352 0.221 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001078243228 898311832 /nfs/dbraw/zinc/31/18/32/898311832.db2.gz ZBCSSMGNRCYDOM-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001078243228 898311849 /nfs/dbraw/zinc/31/18/49/898311849.db2.gz ZBCSSMGNRCYDOM-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001083798369 898325503 /nfs/dbraw/zinc/32/55/03/898325503.db2.gz YCZMJIQCXKMYLU-NEPJUHHUSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001083798369 898325513 /nfs/dbraw/zinc/32/55/13/898325513.db2.gz YCZMJIQCXKMYLU-NEPJUHHUSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001078295146 898335063 /nfs/dbraw/zinc/33/50/63/898335063.db2.gz WCMMDPLDRCVTCI-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001078295146 898335080 /nfs/dbraw/zinc/33/50/80/898335080.db2.gz WCMMDPLDRCVTCI-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1 ZINC001032799556 898366017 /nfs/dbraw/zinc/36/60/17/898366017.db2.gz BYXFPZBINZQLGT-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1 ZINC001032799556 898366033 /nfs/dbraw/zinc/36/60/33/898366033.db2.gz BYXFPZBINZQLGT-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc(C)cn1 ZINC001032801065 898377737 /nfs/dbraw/zinc/37/77/37/898377737.db2.gz ISFHORUFQCHWRJ-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc(C)cn1 ZINC001032801065 898377749 /nfs/dbraw/zinc/37/77/49/898377749.db2.gz ISFHORUFQCHWRJ-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001485991188 898578589 /nfs/dbraw/zinc/57/85/89/898578589.db2.gz ONAHQIRKPHFKNM-ZWNOBZJWSA-N 1 2 299.396 0.037 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCNC(=O)NC ZINC001437460097 899624829 /nfs/dbraw/zinc/62/48/29/899624829.db2.gz YFXHJUUIPVXMJT-UHFFFAOYSA-N 1 2 276.768 0.106 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCNC(=O)NC ZINC001437460097 899624833 /nfs/dbraw/zinc/62/48/33/899624833.db2.gz YFXHJUUIPVXMJT-UHFFFAOYSA-N 1 2 276.768 0.106 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CCC1 ZINC001488645531 900327819 /nfs/dbraw/zinc/32/78/19/900327819.db2.gz RKOINCIQXDZQSP-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CCC1 ZINC001488645531 900327844 /nfs/dbraw/zinc/32/78/44/900327844.db2.gz RKOINCIQXDZQSP-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001489285071 900459126 /nfs/dbraw/zinc/45/91/26/900459126.db2.gz DGCOMMOSNXCIBS-DYEKYZERSA-N 1 2 299.390 0.862 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001489285071 900459131 /nfs/dbraw/zinc/45/91/31/900459131.db2.gz DGCOMMOSNXCIBS-DYEKYZERSA-N 1 2 299.390 0.862 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccncn2)C1 ZINC001490453235 900621200 /nfs/dbraw/zinc/62/12/00/900621200.db2.gz XWBKFMYRIJHFGG-ZDUSSCGKSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccncn2)C1 ZINC001490453235 900621202 /nfs/dbraw/zinc/62/12/02/900621202.db2.gz XWBKFMYRIJHFGG-ZDUSSCGKSA-N 1 2 288.351 0.321 20 30 CCEDLO C/C=C(/C)C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001490486806 900637326 /nfs/dbraw/zinc/63/73/26/900637326.db2.gz MDLDTSOCKAVFKO-TVPGTPATSA-N 1 2 293.411 0.336 20 30 CCEDLO C/C=C(/C)C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001490486806 900637332 /nfs/dbraw/zinc/63/73/32/900637332.db2.gz MDLDTSOCKAVFKO-TVPGTPATSA-N 1 2 293.411 0.336 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C/C=C(\C)C=C)CC1 ZINC001490499639 900641406 /nfs/dbraw/zinc/64/14/06/900641406.db2.gz DLJMITJJFUQLMB-GIDUJCDVSA-N 1 2 275.396 0.876 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001490560500 900666904 /nfs/dbraw/zinc/66/69/04/900666904.db2.gz GPSUOHUOJNJBBA-ZDUSSCGKSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001490560500 900666911 /nfs/dbraw/zinc/66/69/11/900666911.db2.gz GPSUOHUOJNJBBA-ZDUSSCGKSA-N 1 2 291.395 0.835 20 30 CCEDLO C[C@@H](CC(=O)NC[C@@H](NCC#N)C1CC1)n1cc[nH+]c1 ZINC001490716444 900701782 /nfs/dbraw/zinc/70/17/82/900701782.db2.gz GQKXMGWXXCSOGX-WCQYABFASA-N 1 2 275.356 0.842 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)NC(C)=O ZINC001490799761 900764811 /nfs/dbraw/zinc/76/48/11/900764811.db2.gz QQMWQFIQEVKLPP-BETUJISGSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)NC(C)=O ZINC001490799761 900764817 /nfs/dbraw/zinc/76/48/17/900764817.db2.gz QQMWQFIQEVKLPP-BETUJISGSA-N 1 2 277.368 0.210 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CSCC#N)O2 ZINC001327346120 914489102 /nfs/dbraw/zinc/48/91/02/914489102.db2.gz XXDQJVTZXCXKNN-GFCCVEGCSA-N 1 2 295.408 0.779 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001490825297 902030094 /nfs/dbraw/zinc/03/00/94/902030094.db2.gz ZYXIXFWFCSQXJR-PWSUYJOCSA-N 1 2 292.339 0.107 20 30 CCEDLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)n1cnc(C#N)n1 ZINC001413326379 902875296 /nfs/dbraw/zinc/87/52/96/902875296.db2.gz KGGMNTVHAGIFQY-SNVBAGLBSA-N 1 2 287.327 0.459 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001490933710 903264209 /nfs/dbraw/zinc/26/42/09/903264209.db2.gz RKSQFDOFEDEJJP-XYPYZODXSA-N 1 2 292.387 0.549 20 30 CCEDLO COCC#CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001327815586 914783837 /nfs/dbraw/zinc/78/38/37/914783837.db2.gz KHZAZDNBQWIZEX-UHFFFAOYSA-N 1 2 262.309 0.973 20 30 CCEDLO C[C@H](CCCNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001280862918 904162527 /nfs/dbraw/zinc/16/25/27/904162527.db2.gz BHFNUNHONVMWIU-NWDGAFQWSA-N 1 2 291.355 0.444 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001282530370 904501033 /nfs/dbraw/zinc/50/10/33/904501033.db2.gz RECQIJKPQLUOAM-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001282707781 904528008 /nfs/dbraw/zinc/52/80/08/904528008.db2.gz YKUZICYPPKHXNG-LBPRGKRZSA-N 1 2 291.395 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)C(C)(C)C1 ZINC001282797202 904541294 /nfs/dbraw/zinc/54/12/94/904541294.db2.gz MOQIEKHWVWPSMZ-LLVKDONJSA-N 1 2 275.356 0.197 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)C(C)(C)C1 ZINC001282797202 904541315 /nfs/dbraw/zinc/54/13/15/904541315.db2.gz MOQIEKHWVWPSMZ-LLVKDONJSA-N 1 2 275.356 0.197 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCOCCNC(=O)[C@@H](C)C#N)o1 ZINC001283359766 904821014 /nfs/dbraw/zinc/82/10/14/904821014.db2.gz MPLWOITXGLKLJK-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCOCCNC(=O)[C@@H](C)C#N)o1 ZINC001283359766 904821042 /nfs/dbraw/zinc/82/10/42/904821042.db2.gz MPLWOITXGLKLJK-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001284398083 905270453 /nfs/dbraw/zinc/27/04/53/905270453.db2.gz DZJHKEMIZBXNMC-LLVKDONJSA-N 1 2 282.344 0.253 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285362369 905610028 /nfs/dbraw/zinc/61/00/28/905610028.db2.gz TZQVNPZPVHPUMO-QWHCGFSZSA-N 1 2 290.367 0.552 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285578164 905676002 /nfs/dbraw/zinc/67/60/02/905676002.db2.gz VYLKSUHYHVZXME-VUDBWIFFSA-N 1 2 289.339 0.291 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285578164 905676022 /nfs/dbraw/zinc/67/60/22/905676022.db2.gz VYLKSUHYHVZXME-VUDBWIFFSA-N 1 2 289.339 0.291 20 30 CCEDLO C#CCCCCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285636056 905702574 /nfs/dbraw/zinc/70/25/74/905702574.db2.gz ZRWQUBGIYCDZAT-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001378978911 905907916 /nfs/dbraw/zinc/90/79/16/905907916.db2.gz JGYQHKGXNAXWQA-NSHDSACASA-N 1 2 289.339 0.198 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001293008738 906386659 /nfs/dbraw/zinc/38/66/59/906386659.db2.gz DMCYGOOMYAZZPW-CHWSQXEVSA-N 1 2 292.383 0.964 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)CSc2nncs2)CC1 ZINC001293712523 906507442 /nfs/dbraw/zinc/50/74/42/906507442.db2.gz GEFHXKGUOACWSL-UHFFFAOYSA-N 1 2 296.421 0.798 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)CSc2nncs2)CC1 ZINC001293712523 906507454 /nfs/dbraw/zinc/50/74/54/906507454.db2.gz GEFHXKGUOACWSL-UHFFFAOYSA-N 1 2 296.421 0.798 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001295470752 906744306 /nfs/dbraw/zinc/74/43/06/906744306.db2.gz JEZWTHPUUIQEEN-GFCCVEGCSA-N 1 2 290.367 0.387 20 30 CCEDLO C#CCC1([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CCOCC1 ZINC001337602846 921274665 /nfs/dbraw/zinc/27/46/65/921274665.db2.gz VKYCWJKMYPEXOR-UHFFFAOYSA-N 1 2 286.335 0.685 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001381080657 907066479 /nfs/dbraw/zinc/06/64/79/907066479.db2.gz OIACGKHRGLIIGM-CYBMUJFWSA-N 1 2 287.363 0.983 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001491748312 907546927 /nfs/dbraw/zinc/54/69/27/907546927.db2.gz IRSNADXNFQWEPV-NSHDSACASA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc(C)s1 ZINC001492211666 907760197 /nfs/dbraw/zinc/76/01/97/907760197.db2.gz FDIAUOHVOBYHEC-UHFFFAOYSA-N 1 2 296.396 0.415 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc(C)s1 ZINC001492211666 907760200 /nfs/dbraw/zinc/76/02/00/907760200.db2.gz FDIAUOHVOBYHEC-UHFFFAOYSA-N 1 2 296.396 0.415 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001383460206 908001636 /nfs/dbraw/zinc/00/16/36/908001636.db2.gz RSIHTWPHGGRXMT-KPPDAEKUSA-N 1 2 289.339 0.217 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1 ZINC001309785435 908472407 /nfs/dbraw/zinc/47/24/07/908472407.db2.gz XGSPHFGXOPLUKC-UHFFFAOYSA-N 1 2 275.333 0.880 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001316951594 908696367 /nfs/dbraw/zinc/69/63/67/908696367.db2.gz BFZUBPNWMPANAY-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001316951594 908696372 /nfs/dbraw/zinc/69/63/72/908696372.db2.gz BFZUBPNWMPANAY-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO Cc1nonc1C[N@@H+](C)CCCNC(=O)C#CC(C)C ZINC001316821930 908786505 /nfs/dbraw/zinc/78/65/05/908786505.db2.gz KKXMDHZMJYQNLK-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO Cc1nonc1C[N@H+](C)CCCNC(=O)C#CC(C)C ZINC001316821930 908786510 /nfs/dbraw/zinc/78/65/10/908786510.db2.gz KKXMDHZMJYQNLK-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC[C@H](C)OC)CC1 ZINC001316962884 908876235 /nfs/dbraw/zinc/87/62/35/908876235.db2.gz CKVDGDVTQRJYFN-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001338418454 921460743 /nfs/dbraw/zinc/46/07/43/921460743.db2.gz BFLFDTOHPHMLRZ-VXGBXAGGSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001338418454 921460749 /nfs/dbraw/zinc/46/07/49/921460749.db2.gz BFLFDTOHPHMLRZ-VXGBXAGGSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001317179144 909034091 /nfs/dbraw/zinc/03/40/91/909034091.db2.gz HCDNVRFCBFQISK-LBPRGKRZSA-N 1 2 292.387 0.647 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001317446771 909215870 /nfs/dbraw/zinc/21/58/70/909215870.db2.gz LKLDTUXEFAEVOK-UHFFFAOYSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001317446771 909215886 /nfs/dbraw/zinc/21/58/86/909215886.db2.gz LKLDTUXEFAEVOK-UHFFFAOYSA-N 1 2 281.400 0.915 20 30 CCEDLO CCCN(CC#N)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001317539996 909304188 /nfs/dbraw/zinc/30/41/88/909304188.db2.gz AEZKYOAURDTZOW-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001318191044 909659962 /nfs/dbraw/zinc/65/99/62/909659962.db2.gz VWSMPUHBXGSGJU-UBHSHLNASA-N 1 2 291.395 0.905 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001318191044 909659968 /nfs/dbraw/zinc/65/99/68/909659968.db2.gz VWSMPUHBXGSGJU-UBHSHLNASA-N 1 2 291.395 0.905 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCCOCC ZINC001318229094 909668562 /nfs/dbraw/zinc/66/85/62/909668562.db2.gz ZEVOXDQVUDJJHG-IHRRRGAJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCCOCC ZINC001318229094 909668565 /nfs/dbraw/zinc/66/85/65/909668565.db2.gz ZEVOXDQVUDJJHG-IHRRRGAJSA-N 1 2 280.368 0.346 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC001318387942 909730991 /nfs/dbraw/zinc/73/09/91/909730991.db2.gz WFKWYGIIFWSSDK-NSHDSACASA-N 1 2 292.339 0.123 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC001318387942 909731001 /nfs/dbraw/zinc/73/10/01/909731001.db2.gz WFKWYGIIFWSSDK-NSHDSACASA-N 1 2 292.339 0.123 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001389448886 909899362 /nfs/dbraw/zinc/89/93/62/909899362.db2.gz JESLCOIATFKUIU-ZYHUDNBSSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001389448886 909899370 /nfs/dbraw/zinc/89/93/70/909899370.db2.gz JESLCOIATFKUIU-ZYHUDNBSSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001389448854 909899608 /nfs/dbraw/zinc/89/96/08/909899608.db2.gz JESLCOIATFKUIU-PWSUYJOCSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001389448854 909899617 /nfs/dbraw/zinc/89/96/17/909899617.db2.gz JESLCOIATFKUIU-PWSUYJOCSA-N 1 2 273.340 0.635 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)F)C1 ZINC001319288883 910076527 /nfs/dbraw/zinc/07/65/27/910076527.db2.gz JLYNBEAVHNZDAO-LBPRGKRZSA-N 1 2 288.363 0.754 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)F)C1 ZINC001319288883 910076544 /nfs/dbraw/zinc/07/65/44/910076544.db2.gz JLYNBEAVHNZDAO-LBPRGKRZSA-N 1 2 288.363 0.754 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C#CC(C)C)o1 ZINC001319453253 910158421 /nfs/dbraw/zinc/15/84/21/910158421.db2.gz GNZHYUOXYNJPGT-NSHDSACASA-N 1 2 278.356 0.974 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319606433 910225268 /nfs/dbraw/zinc/22/52/68/910225268.db2.gz IDKPMZWNXCCOJL-CMPLNLGQSA-N 1 2 260.297 0.196 20 30 CCEDLO CC#CC[NH2+][C@H](CNC(=O)c1[nH]ncc1F)C(C)C ZINC001319945924 910368161 /nfs/dbraw/zinc/36/81/61/910368161.db2.gz YCAWZVIUBOFAJB-LLVKDONJSA-N 1 2 266.320 0.916 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001320038090 910425965 /nfs/dbraw/zinc/42/59/65/910425965.db2.gz NGCWGRFTHZJHJA-JTQLQIEISA-N 1 2 251.286 0.890 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001320038090 910425976 /nfs/dbraw/zinc/42/59/76/910425976.db2.gz NGCWGRFTHZJHJA-JTQLQIEISA-N 1 2 251.286 0.890 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001320040171 910429899 /nfs/dbraw/zinc/42/98/99/910429899.db2.gz WCGOBUUNECNLLE-GFCCVEGCSA-N 1 2 274.324 0.800 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001320040171 910429913 /nfs/dbraw/zinc/42/99/13/910429913.db2.gz WCGOBUUNECNLLE-GFCCVEGCSA-N 1 2 274.324 0.800 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001390740884 910635206 /nfs/dbraw/zinc/63/52/06/910635206.db2.gz WYIMITKIOQPMMF-UHFFFAOYSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001390740884 910635198 /nfs/dbraw/zinc/63/51/98/910635198.db2.gz WYIMITKIOQPMMF-UHFFFAOYSA-N 1 2 273.764 0.313 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC001320435233 910674193 /nfs/dbraw/zinc/67/41/93/910674193.db2.gz PSALYXCLQAIQOJ-ZDUSSCGKSA-N 1 2 259.309 0.954 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC001320435233 910674195 /nfs/dbraw/zinc/67/41/95/910674195.db2.gz PSALYXCLQAIQOJ-ZDUSSCGKSA-N 1 2 259.309 0.954 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC001320435232 910674869 /nfs/dbraw/zinc/67/48/69/910674869.db2.gz PSALYXCLQAIQOJ-CYBMUJFWSA-N 1 2 259.309 0.954 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC001320435232 910674883 /nfs/dbraw/zinc/67/48/83/910674883.db2.gz PSALYXCLQAIQOJ-CYBMUJFWSA-N 1 2 259.309 0.954 20 30 CCEDLO C#CC[NH+]1CCC(c2nc(C[S@@](C)=O)no2)CC1 ZINC001320963442 910964544 /nfs/dbraw/zinc/96/45/44/910964544.db2.gz UGZBWDUVTNUVOJ-GOSISDBHSA-N 1 2 267.354 0.761 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001321122681 911101487 /nfs/dbraw/zinc/10/14/87/911101487.db2.gz RJNSKRLOPPOBOQ-NSHDSACASA-N 1 2 264.329 0.585 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001321122681 911101502 /nfs/dbraw/zinc/10/15/02/911101502.db2.gz RJNSKRLOPPOBOQ-NSHDSACASA-N 1 2 264.329 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392263876 911681524 /nfs/dbraw/zinc/68/15/24/911681524.db2.gz MWNOHODFEVAKBK-NSHDSACASA-N 1 2 276.764 0.545 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392263876 911681529 /nfs/dbraw/zinc/68/15/29/911681529.db2.gz MWNOHODFEVAKBK-NSHDSACASA-N 1 2 276.764 0.545 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392706847 912104281 /nfs/dbraw/zinc/10/42/81/912104281.db2.gz BKIUVRDQUMIZHH-SECBINFHSA-N 1 2 271.752 0.536 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392706847 912104292 /nfs/dbraw/zinc/10/42/92/912104292.db2.gz BKIUVRDQUMIZHH-SECBINFHSA-N 1 2 271.752 0.536 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001323213608 912189590 /nfs/dbraw/zinc/18/95/90/912189590.db2.gz WNULZLJCLGCKJL-CQSZACIVSA-N 1 2 262.353 0.937 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001323213608 912189605 /nfs/dbraw/zinc/18/96/05/912189605.db2.gz WNULZLJCLGCKJL-CQSZACIVSA-N 1 2 262.353 0.937 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC=NO3)n2CC)CC1 ZINC001339441140 921726514 /nfs/dbraw/zinc/72/65/14/921726514.db2.gz MZUHGCZFFBYPTD-LBPRGKRZSA-N 1 2 288.355 0.500 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1CC#N ZINC001328283775 915076661 /nfs/dbraw/zinc/07/66/61/915076661.db2.gz MFZAXIFCDFJFFN-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CN(C)C(C)=O ZINC001399685377 915318047 /nfs/dbraw/zinc/31/80/47/915318047.db2.gz GNRJIKPADSPESR-UHFFFAOYSA-N 1 2 275.780 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CN(C)C(C)=O ZINC001399685377 915318065 /nfs/dbraw/zinc/31/80/65/915318065.db2.gz GNRJIKPADSPESR-UHFFFAOYSA-N 1 2 275.780 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(C)=O ZINC001399703128 915333434 /nfs/dbraw/zinc/33/34/34/915333434.db2.gz YTZHNHSFVISIHY-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(C)=O ZINC001399703128 915333451 /nfs/dbraw/zinc/33/34/51/915333451.db2.gz YTZHNHSFVISIHY-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C)C1 ZINC001329637535 916087019 /nfs/dbraw/zinc/08/70/19/916087019.db2.gz FPGOLPTZXXQMMW-NEPJUHHUSA-N 1 2 252.358 0.772 20 30 CCEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001329680984 916121906 /nfs/dbraw/zinc/12/19/06/916121906.db2.gz JDXICYRWFABBGC-LLVKDONJSA-N 1 2 270.373 0.132 20 30 CCEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+]([C@H](C)COC)C1 ZINC001329681941 916122227 /nfs/dbraw/zinc/12/22/27/916122227.db2.gz ORVAHKXTFLYIGP-GFCCVEGCSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C=C(C)C)C1 ZINC001329954354 916309921 /nfs/dbraw/zinc/30/99/21/916309921.db2.gz VCAAQXBANOREOI-GFCCVEGCSA-N 1 2 277.368 0.139 20 30 CCEDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CN(CC#N)C1 ZINC001330084391 916406944 /nfs/dbraw/zinc/40/69/44/916406944.db2.gz GCWBLBGZTYMULL-LBPRGKRZSA-N 1 2 275.356 0.623 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001330148328 916434800 /nfs/dbraw/zinc/43/48/00/916434800.db2.gz QDJPEWUABUAXQJ-DZGCQCFKSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001330148328 916434815 /nfs/dbraw/zinc/43/48/15/916434815.db2.gz QDJPEWUABUAXQJ-DZGCQCFKSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)C=C)C2)C1 ZINC001330158536 916438756 /nfs/dbraw/zinc/43/87/56/916438756.db2.gz AHAODNFCKJBKRV-CVEARBPZSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)C=C)C2)C1 ZINC001330158536 916438763 /nfs/dbraw/zinc/43/87/63/916438763.db2.gz AHAODNFCKJBKRV-CVEARBPZSA-N 1 2 294.395 0.803 20 30 CCEDLO Cc1ccnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001401942723 916722466 /nfs/dbraw/zinc/72/24/66/916722466.db2.gz VGQKEUZEVKSZQM-SNVBAGLBSA-N 1 2 273.340 0.683 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCOCC1 ZINC001331282047 917242192 /nfs/dbraw/zinc/24/21/92/917242192.db2.gz PHHVCWQPECMYCF-DGCLKSJQSA-N 1 2 261.325 0.989 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001331490898 917372921 /nfs/dbraw/zinc/37/29/21/917372921.db2.gz RGCUEKZTZMZNHO-NEPJUHHUSA-N 1 2 275.356 0.406 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001332416686 918137717 /nfs/dbraw/zinc/13/77/17/918137717.db2.gz OFXAMAVENWKHEP-VXGBXAGGSA-N 1 2 284.356 0.331 20 30 CCEDLO C=C[C@@H](COC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001332557936 918277085 /nfs/dbraw/zinc/27/70/85/918277085.db2.gz ITACCXRKVCXERJ-SRXBQZRASA-N 1 2 268.357 0.582 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404412535 918339992 /nfs/dbraw/zinc/33/99/92/918339992.db2.gz MWIGAQFLWGBVEO-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404412535 918340005 /nfs/dbraw/zinc/34/00/05/918340005.db2.gz MWIGAQFLWGBVEO-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404686503 918427421 /nfs/dbraw/zinc/42/74/21/918427421.db2.gz YIKROAYJCLHXFT-ZJUUUORDSA-N 1 2 289.339 0.075 20 30 CCEDLO C=CCn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001333659682 919079194 /nfs/dbraw/zinc/07/91/94/919079194.db2.gz OORDCFXNCVJGMG-UHFFFAOYSA-N 1 2 285.355 0.576 20 30 CCEDLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCC2)o1 ZINC001407778591 919885212 /nfs/dbraw/zinc/88/52/12/919885212.db2.gz UQABLXGVBJABSJ-SECBINFHSA-N 1 2 277.328 0.666 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCc1c[nH+]cn1C ZINC001415577833 920769172 /nfs/dbraw/zinc/76/91/72/920769172.db2.gz JMEYGZSXZHTEMB-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO C=CC1CCN(c2nnc([C@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001340043427 921927217 /nfs/dbraw/zinc/92/72/17/921927217.db2.gz IMDUPWDKOBVYEW-CHWSQXEVSA-N 1 2 291.399 0.955 20 30 CCEDLO C=CC1CCN(c2nnc([C@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001340043427 921927236 /nfs/dbraw/zinc/92/72/36/921927236.db2.gz IMDUPWDKOBVYEW-CHWSQXEVSA-N 1 2 291.399 0.955 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN1CCCCC1=O ZINC001418479325 922164269 /nfs/dbraw/zinc/16/42/69/922164269.db2.gz QYTAPIDWLGHNSZ-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN1CCCCC1=O ZINC001418479325 922164279 /nfs/dbraw/zinc/16/42/79/922164279.db2.gz QYTAPIDWLGHNSZ-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001418514238 922203777 /nfs/dbraw/zinc/20/37/77/922203777.db2.gz QDJJKDKQYWBBGZ-UHFFFAOYSA-N 1 2 284.747 0.528 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001418514238 922203783 /nfs/dbraw/zinc/20/37/83/922203783.db2.gz QDJJKDKQYWBBGZ-UHFFFAOYSA-N 1 2 284.747 0.528 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC001340895977 922264473 /nfs/dbraw/zinc/26/44/73/922264473.db2.gz LNYFJZNIVDPPDU-HTQZYQBOSA-N 1 2 264.272 0.593 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001419107159 922637537 /nfs/dbraw/zinc/63/75/37/922637537.db2.gz XPWVJDLPRKDVAH-NSHDSACASA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001419107159 922637549 /nfs/dbraw/zinc/63/75/49/922637549.db2.gz XPWVJDLPRKDVAH-NSHDSACASA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CCc1cnn[nH]1 ZINC001419230327 922723200 /nfs/dbraw/zinc/72/32/00/922723200.db2.gz FJNVHUTVZJJELF-SNVBAGLBSA-N 1 2 285.779 0.974 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001342727018 923074554 /nfs/dbraw/zinc/07/45/54/923074554.db2.gz GVDWIEROUJSOBG-RYUDHWBXSA-N 1 2 271.361 0.207 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001342727018 923074570 /nfs/dbraw/zinc/07/45/70/923074570.db2.gz GVDWIEROUJSOBG-RYUDHWBXSA-N 1 2 271.361 0.207 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001420175286 923367624 /nfs/dbraw/zinc/36/76/24/923367624.db2.gz ZBCXKKXRVHGNLF-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001420175286 923367639 /nfs/dbraw/zinc/36/76/39/923367639.db2.gz ZBCXKKXRVHGNLF-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO CCCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001420402514 923628702 /nfs/dbraw/zinc/62/87/02/923628702.db2.gz FBWCWEHRPSSHGW-ZJUUUORDSA-N 1 2 279.344 0.776 20 30 CCEDLO CC1SC(C(=O)NC2(C#N)CC[NH+](C)CC2)=NC1=O ZINC001345907073 924008260 /nfs/dbraw/zinc/00/82/60/924008260.db2.gz XTRGRMRRBKVPFS-UHFFFAOYSA-N 1 2 280.353 0.875 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001420993359 924079687 /nfs/dbraw/zinc/07/96/87/924079687.db2.gz NMTVOASXDPTSBE-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001420993359 924079702 /nfs/dbraw/zinc/07/97/02/924079702.db2.gz NMTVOASXDPTSBE-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001421125670 924165168 /nfs/dbraw/zinc/16/51/68/924165168.db2.gz AWTLXNYXIFIAQK-VXGBXAGGSA-N 1 2 294.399 0.355 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421196763 924205656 /nfs/dbraw/zinc/20/56/56/924205656.db2.gz OPFVRQYUYVSYIH-NSHDSACASA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421196763 924205672 /nfs/dbraw/zinc/20/56/72/924205672.db2.gz OPFVRQYUYVSYIH-NSHDSACASA-N 1 2 284.751 0.006 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346438402 924211538 /nfs/dbraw/zinc/21/15/38/924211538.db2.gz WEVVPKYQLFCBQO-KGLIPLIRSA-N 1 2 280.416 0.723 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC001349909160 925092875 /nfs/dbraw/zinc/09/28/75/925092875.db2.gz VDUXOOXGRMNQPH-AXFHLTTASA-N 1 2 284.381 0.254 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350648254 925247283 /nfs/dbraw/zinc/24/72/83/925247283.db2.gz CBLRJDMBDJMIMT-LBPRGKRZSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCOCC)n2C)CC1 ZINC001351118292 925362320 /nfs/dbraw/zinc/36/23/20/925362320.db2.gz NFFQEYYKROEYQL-UHFFFAOYSA-N 1 2 277.372 0.149 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CO)n2CC)CC1 ZINC001356348211 926372077 /nfs/dbraw/zinc/37/20/77/926372077.db2.gz FGHQJOJXBREJKU-LBPRGKRZSA-N 1 2 277.372 0.149 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001358368964 926682566 /nfs/dbraw/zinc/68/25/66/926682566.db2.gz HUMSCJFDXUGFHC-LLVKDONJSA-N 1 2 290.367 0.929 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001422989258 927617625 /nfs/dbraw/zinc/61/76/25/927617625.db2.gz QEAHRXFMWCIXDU-LDYMZIIASA-N 1 2 277.328 0.522 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001423554789 927918555 /nfs/dbraw/zinc/91/85/55/927918555.db2.gz XLGLKMAZAFDMTB-GWCFXTLKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001423554789 927918567 /nfs/dbraw/zinc/91/85/67/927918567.db2.gz XLGLKMAZAFDMTB-GWCFXTLKSA-N 1 2 287.791 0.844 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001362488932 928089338 /nfs/dbraw/zinc/08/93/38/928089338.db2.gz HBYNFRUGEUCZIB-JQWIXIFHSA-N 1 2 274.299 0.821 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001362488932 928089340 /nfs/dbraw/zinc/08/93/40/928089340.db2.gz HBYNFRUGEUCZIB-JQWIXIFHSA-N 1 2 274.299 0.821 20 30 CCEDLO CN(C)[C@H](C(=O)Nc1n[nH]cc1C#N)c1c[nH+]cn1C ZINC001363433821 929225494 /nfs/dbraw/zinc/22/54/94/929225494.db2.gz HATZKMOFIZRUOB-JTQLQIEISA-N 1 2 273.300 0.256 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001371993099 929695737 /nfs/dbraw/zinc/69/57/37/929695737.db2.gz BDLPFOWUOULUMP-UHFFFAOYSA-N 1 2 284.747 0.690 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001371993099 929695740 /nfs/dbraw/zinc/69/57/40/929695740.db2.gz BDLPFOWUOULUMP-UHFFFAOYSA-N 1 2 284.747 0.690 20 30 CCEDLO CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001446724035 930466316 /nfs/dbraw/zinc/46/63/16/930466316.db2.gz QTXVJUZTSGYGPO-HNNXBMFYSA-N 1 2 291.326 0.770 20 30 CCEDLO CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001446724035 930466320 /nfs/dbraw/zinc/46/63/20/930466320.db2.gz QTXVJUZTSGYGPO-HNNXBMFYSA-N 1 2 291.326 0.770 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001446751100 930473326 /nfs/dbraw/zinc/47/33/26/930473326.db2.gz YTRBWULYVHNESI-GXFFZTMASA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001446751100 930473334 /nfs/dbraw/zinc/47/33/34/930473334.db2.gz YTRBWULYVHNESI-GXFFZTMASA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001375213168 930813949 /nfs/dbraw/zinc/81/39/49/930813949.db2.gz HJVWCWAXDAWMES-KWQFWETISA-N 1 2 279.369 0.682 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375220650 930824125 /nfs/dbraw/zinc/82/41/25/930824125.db2.gz PTKOADMJKIVXSC-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](COC)OC)C1 ZINC001448324021 930872470 /nfs/dbraw/zinc/87/24/70/930872470.db2.gz ZNQCKRPLOOIGIR-JQWIXIFHSA-N 1 2 290.791 0.837 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCc1ccnc(C#N)c1 ZINC001448872960 931013892 /nfs/dbraw/zinc/01/38/92/931013892.db2.gz BWNWASLLDSQLCR-UHFFFAOYSA-N 1 2 255.281 0.546 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001449499892 931150726 /nfs/dbraw/zinc/15/07/26/931150726.db2.gz UPOGSBNWLFXNFQ-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO CC(C)c1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001376709684 931235131 /nfs/dbraw/zinc/23/51/31/931235131.db2.gz XVJMEVMNFNFNQQ-UWVGGRQHSA-N 1 2 279.344 0.947 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377130013 931395831 /nfs/dbraw/zinc/39/58/31/931395831.db2.gz NIGHZRNDMYMXHH-RYUDHWBXSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377130013 931395843 /nfs/dbraw/zinc/39/58/43/931395843.db2.gz NIGHZRNDMYMXHH-RYUDHWBXSA-N 1 2 282.388 0.499 20 30 CCEDLO C#CCC[NH+]1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000091480553 349463781 /nfs/dbraw/zinc/46/37/81/349463781.db2.gz YZIJZBFQSNORLZ-UHFFFAOYSA-N 1 2 266.732 0.981 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599558662 361738108 /nfs/dbraw/zinc/73/81/08/361738108.db2.gz NELWDAFSBHDVMY-GFCCVEGCSA-N 1 2 281.337 0.779 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599558662 361738109 /nfs/dbraw/zinc/73/81/09/361738109.db2.gz NELWDAFSBHDVMY-GFCCVEGCSA-N 1 2 281.337 0.779 20 30 CCEDLO Cc1c[nH]c(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000600104810 361869136 /nfs/dbraw/zinc/86/91/36/361869136.db2.gz PYNXMISXBDIGKP-UHFFFAOYSA-N 1 2 277.372 0.766 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231332 361897782 /nfs/dbraw/zinc/89/77/82/361897782.db2.gz FBSXZIRBLUUBSD-SWLSCSKDSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231332 361897787 /nfs/dbraw/zinc/89/77/87/361897787.db2.gz FBSXZIRBLUUBSD-SWLSCSKDSA-N 1 2 295.383 0.268 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000338081520 214392108 /nfs/dbraw/zinc/39/21/08/214392108.db2.gz CILFSWOKJPIAMW-UHFFFAOYSA-N 1 2 273.336 0.929 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107779908 349739882 /nfs/dbraw/zinc/73/98/82/349739882.db2.gz SSBMIRZJVXYJQJ-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CC3(CC3)C2)CCO1 ZINC000601029106 362134816 /nfs/dbraw/zinc/13/48/16/362134816.db2.gz IVHBQZXLZSVXOW-GFCCVEGCSA-N 1 2 277.368 0.907 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CC3(CC3)C2)CCO1 ZINC000601029106 362134822 /nfs/dbraw/zinc/13/48/22/362134822.db2.gz IVHBQZXLZSVXOW-GFCCVEGCSA-N 1 2 277.368 0.907 20 30 CCEDLO CCCCc1cc(NCCn2cnc(C#N)n2)nc[nH+]1 ZINC000601165053 362163719 /nfs/dbraw/zinc/16/37/19/362163719.db2.gz JLIWELNXHQZLPV-UHFFFAOYSA-N 1 2 271.328 0.816 20 30 CCEDLO Cc1cc(N[C@@H](C)C2N=NC(=O)N2C)c(C#N)c[nH+]1 ZINC000601186859 362169994 /nfs/dbraw/zinc/16/99/94/362169994.db2.gz DJOZTLJWDYIOQQ-QMMMGPOBSA-N 1 2 258.285 0.691 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000295045308 199317778 /nfs/dbraw/zinc/31/77/78/199317778.db2.gz SIEOASPSAZBTTR-RYUDHWBXSA-N 1 2 295.408 0.660 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC000332231644 529786383 /nfs/dbraw/zinc/78/63/83/529786383.db2.gz MGXJWPUTDTUDAK-LSDHHAIUSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC000332231644 529786385 /nfs/dbraw/zinc/78/63/85/529786385.db2.gz MGXJWPUTDTUDAK-LSDHHAIUSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 ZINC000329086071 529787840 /nfs/dbraw/zinc/78/78/40/529787840.db2.gz GQIRLYDYWNULAL-SECBINFHSA-N 1 2 291.311 0.070 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 ZINC000329086071 529787841 /nfs/dbraw/zinc/78/78/41/529787841.db2.gz GQIRLYDYWNULAL-SECBINFHSA-N 1 2 291.311 0.070 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000330228166 529788071 /nfs/dbraw/zinc/78/80/71/529788071.db2.gz VFSRWONPKRGTSP-QWHCGFSZSA-N 1 2 297.399 0.922 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000330228166 529788072 /nfs/dbraw/zinc/78/80/72/529788072.db2.gz VFSRWONPKRGTSP-QWHCGFSZSA-N 1 2 297.399 0.922 20 30 CCEDLO C[NH+]1CCC(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC1 ZINC000601735464 362372132 /nfs/dbraw/zinc/37/21/32/362372132.db2.gz DZZWHZXHOPDRAZ-UHFFFAOYSA-N 1 2 273.340 0.861 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1C(N)=O ZINC000601966021 362440351 /nfs/dbraw/zinc/44/03/51/362440351.db2.gz XAQHAJVAWSPACW-LLVKDONJSA-N 1 2 295.314 0.510 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1C(N)=O ZINC000601966021 362440355 /nfs/dbraw/zinc/44/03/55/362440355.db2.gz XAQHAJVAWSPACW-LLVKDONJSA-N 1 2 295.314 0.510 20 30 CCEDLO CCc1c[nH]c(CC(=O)N=c2ccn(CCC#N)[nH]2)[nH+]1 ZINC000602104077 362490782 /nfs/dbraw/zinc/49/07/82/362490782.db2.gz YAPWBLWUIMSILU-UHFFFAOYSA-N 1 2 272.312 0.685 20 30 CCEDLO COCCCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000602334504 362590166 /nfs/dbraw/zinc/59/01/66/362590166.db2.gz SLLBQPUMQGTZJS-AWEZNQCLSA-N 1 2 293.371 0.493 20 30 CCEDLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CO)ccc1C#N ZINC000602714614 362767261 /nfs/dbraw/zinc/76/72/61/362767261.db2.gz HPROPCHFUDCSHG-OAHLLOKOSA-N 1 2 259.353 0.975 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)ccc1C#N ZINC000602714614 362767269 /nfs/dbraw/zinc/76/72/69/362767269.db2.gz HPROPCHFUDCSHG-OAHLLOKOSA-N 1 2 259.353 0.975 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000339246223 215038679 /nfs/dbraw/zinc/03/86/79/215038679.db2.gz CLQAAFWWEOSZHL-UHFFFAOYSA-N 1 2 297.318 0.301 20 30 CCEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cn1cncn1)C(=O)OC ZINC000602737440 362776754 /nfs/dbraw/zinc/77/67/54/362776754.db2.gz CJJUUDAUIKJUFS-GHMZBOCLSA-N 1 2 252.318 0.764 20 30 CCEDLO CN(C)C(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602768660 362790287 /nfs/dbraw/zinc/79/02/87/362790287.db2.gz ROGDHJXJRIVGFU-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602768660 362790290 /nfs/dbraw/zinc/79/02/90/362790290.db2.gz ROGDHJXJRIVGFU-UHFFFAOYSA-N 1 2 264.373 0.386 20 30 CCEDLO C[C@H](CC#N)NCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000602861606 362846688 /nfs/dbraw/zinc/84/66/88/362846688.db2.gz GOFHNZWAJIWKSX-GFCCVEGCSA-N 1 2 282.388 0.105 20 30 CCEDLO C[C@@H](CC#N)NCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000602861608 362847108 /nfs/dbraw/zinc/84/71/08/362847108.db2.gz GOFHNZWAJIWKSX-LBPRGKRZSA-N 1 2 282.388 0.105 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](C)N1CC#N ZINC000602855604 362842588 /nfs/dbraw/zinc/84/25/88/362842588.db2.gz HRIVIJJXANBRCZ-PHIMTYICSA-N 1 2 250.346 0.183 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](C)N1CC#N ZINC000602855604 362842591 /nfs/dbraw/zinc/84/25/91/362842591.db2.gz HRIVIJJXANBRCZ-PHIMTYICSA-N 1 2 250.346 0.183 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602857928 362844219 /nfs/dbraw/zinc/84/42/19/362844219.db2.gz XAMUBYCTYBZBTF-VXGBXAGGSA-N 1 2 266.389 0.819 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000602862977 362847216 /nfs/dbraw/zinc/84/72/16/362847216.db2.gz LMWWSOGHIGGFLM-VXGBXAGGSA-N 1 2 289.335 0.834 20 30 CCEDLO COCCOCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344120852 137178478 /nfs/dbraw/zinc/17/84/78/137178478.db2.gz ROSWOXIODGIVMM-CQSZACIVSA-N 1 2 291.351 0.679 20 30 CCEDLO COCCOCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344120852 137178479 /nfs/dbraw/zinc/17/84/79/137178479.db2.gz ROSWOXIODGIVMM-CQSZACIVSA-N 1 2 291.351 0.679 20 30 CCEDLO C=CC[N@@H+](CC(=O)NC(N)=O)Cc1cccs1 ZINC000016395442 348047055 /nfs/dbraw/zinc/04/70/55/348047055.db2.gz INVMODUUFLURKH-UHFFFAOYSA-N 1 2 253.327 0.931 20 30 CCEDLO C=CC[N@H+](CC(=O)NC(N)=O)Cc1cccs1 ZINC000016395442 348047056 /nfs/dbraw/zinc/04/70/56/348047056.db2.gz INVMODUUFLURKH-UHFFFAOYSA-N 1 2 253.327 0.931 20 30 CCEDLO C#CC[NH+]1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000029436431 348112290 /nfs/dbraw/zinc/11/22/90/348112290.db2.gz OOFPFGAWWDMIEE-UHFFFAOYSA-N 1 2 271.320 0.803 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000602885374 362864474 /nfs/dbraw/zinc/86/44/74/362864474.db2.gz VXZUEWFKNPCAGW-SECBINFHSA-N 1 2 282.369 0.975 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000602885374 362864481 /nfs/dbraw/zinc/86/44/81/362864481.db2.gz VXZUEWFKNPCAGW-SECBINFHSA-N 1 2 282.369 0.975 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449469 348280465 /nfs/dbraw/zinc/28/04/65/348280465.db2.gz AAVVRVAHKUFHEZ-UWVGGRQHSA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449469 348280468 /nfs/dbraw/zinc/28/04/68/348280468.db2.gz AAVVRVAHKUFHEZ-UWVGGRQHSA-N 1 2 254.334 0.702 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000602947040 362902625 /nfs/dbraw/zinc/90/26/25/362902625.db2.gz WJRIJSHZAIEYTE-AAEUAGOBSA-N 1 2 255.314 0.289 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000602947040 362902629 /nfs/dbraw/zinc/90/26/29/362902629.db2.gz WJRIJSHZAIEYTE-AAEUAGOBSA-N 1 2 255.314 0.289 20 30 CCEDLO C[N@H+](CC(=O)N1CCNC1=O)[C@H]1CCC[C@H]1C#N ZINC000602973812 362916465 /nfs/dbraw/zinc/91/64/65/362916465.db2.gz FSHJTWWNWDUZHV-UWVGGRQHSA-N 1 2 250.302 0.162 20 30 CCEDLO C[N@@H+](CC(=O)N1CCNC1=O)[C@H]1CCC[C@H]1C#N ZINC000602973812 362916471 /nfs/dbraw/zinc/91/64/71/362916471.db2.gz FSHJTWWNWDUZHV-UWVGGRQHSA-N 1 2 250.302 0.162 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977962 362918199 /nfs/dbraw/zinc/91/81/99/362918199.db2.gz JDYMDKJTRACGGD-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977962 362918205 /nfs/dbraw/zinc/91/82/05/362918205.db2.gz JDYMDKJTRACGGD-RYUDHWBXSA-N 1 2 281.356 0.632 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975246 362918734 /nfs/dbraw/zinc/91/87/34/362918734.db2.gz ZZRQCZVUCQWSEB-VHSXEESVSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975246 362918738 /nfs/dbraw/zinc/91/87/38/362918738.db2.gz ZZRQCZVUCQWSEB-VHSXEESVSA-N 1 2 252.318 0.456 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347285481 137328978 /nfs/dbraw/zinc/32/89/78/137328978.db2.gz DUOZEFMHGBMJPW-UHFFFAOYSA-N 1 2 288.351 0.491 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000062255595 348666929 /nfs/dbraw/zinc/66/69/29/348666929.db2.gz RSPLSDZXGPNCOY-UHFFFAOYSA-N 1 2 288.332 0.959 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000066563166 348748606 /nfs/dbraw/zinc/74/86/06/348748606.db2.gz DBPMJCGATQPANH-GFCCVEGCSA-N 1 2 265.357 0.527 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000066563166 348748608 /nfs/dbraw/zinc/74/86/08/348748608.db2.gz DBPMJCGATQPANH-GFCCVEGCSA-N 1 2 265.357 0.527 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159059 348874593 /nfs/dbraw/zinc/87/45/93/348874593.db2.gz TVUWDISXLUVKFF-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000071010959 348902574 /nfs/dbraw/zinc/90/25/74/348902574.db2.gz IJCJAUYNUILLED-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000071010959 348902576 /nfs/dbraw/zinc/90/25/76/348902576.db2.gz IJCJAUYNUILLED-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049760 349244369 /nfs/dbraw/zinc/24/43/69/349244369.db2.gz GJFTXZKQOWZETD-SECBINFHSA-N 1 2 252.236 0.288 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049760 349244372 /nfs/dbraw/zinc/24/43/72/349244372.db2.gz GJFTXZKQOWZETD-SECBINFHSA-N 1 2 252.236 0.288 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000081513401 349270386 /nfs/dbraw/zinc/27/03/86/349270386.db2.gz XFTKDEXKVVWSTH-LBPRGKRZSA-N 1 2 280.349 0.399 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000081513401 349270389 /nfs/dbraw/zinc/27/03/89/349270389.db2.gz XFTKDEXKVVWSTH-LBPRGKRZSA-N 1 2 280.349 0.399 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)CC(C)(CO)CO ZINC000135883212 350410105 /nfs/dbraw/zinc/41/01/05/350410105.db2.gz VDQVGAGXYBVRLV-UHFFFAOYSA-N 1 2 297.380 0.481 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)CC(C)(CO)CO ZINC000135883212 350410106 /nfs/dbraw/zinc/41/01/06/350410106.db2.gz VDQVGAGXYBVRLV-UHFFFAOYSA-N 1 2 297.380 0.481 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000171079356 350883207 /nfs/dbraw/zinc/88/32/07/350883207.db2.gz BEJBAPITUABVNB-LBPRGKRZSA-N 1 2 273.340 0.339 20 30 CCEDLO COc1ccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)cc1C#N ZINC000603229352 363011146 /nfs/dbraw/zinc/01/11/46/363011146.db2.gz LQRTWCFWGCLDRR-AWEZNQCLSA-N 1 2 299.334 0.868 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175553199 351133927 /nfs/dbraw/zinc/13/39/27/351133927.db2.gz AKDGRSSCKSHKKQ-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175553199 351133928 /nfs/dbraw/zinc/13/39/28/351133928.db2.gz AKDGRSSCKSHKKQ-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000182436722 351362198 /nfs/dbraw/zinc/36/21/98/351362198.db2.gz OFNWZTRRMSNPKN-CYBMUJFWSA-N 1 2 259.309 0.505 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000182436722 351362203 /nfs/dbraw/zinc/36/22/03/351362203.db2.gz OFNWZTRRMSNPKN-CYBMUJFWSA-N 1 2 259.309 0.505 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100994 351432414 /nfs/dbraw/zinc/43/24/14/351432414.db2.gz HHWGUZSBJVUNBM-MPBGBICISA-N 1 2 298.412 0.341 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100994 351432418 /nfs/dbraw/zinc/43/24/18/351432418.db2.gz HHWGUZSBJVUNBM-MPBGBICISA-N 1 2 298.412 0.341 20 30 CCEDLO CN1CCN(c2cc(NCCCCC#N)[nH+]cn2)CC1=O ZINC000186006974 351471834 /nfs/dbraw/zinc/47/18/34/351471834.db2.gz QEKULMKBWHJCRH-UHFFFAOYSA-N 1 2 288.355 0.861 20 30 CCEDLO CN1CCN(c2cc(NCCCCC#N)nc[nH+]2)CC1=O ZINC000186006974 351471838 /nfs/dbraw/zinc/47/18/38/351471838.db2.gz QEKULMKBWHJCRH-UHFFFAOYSA-N 1 2 288.355 0.861 20 30 CCEDLO CC(C)(C#N)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603310865 363059885 /nfs/dbraw/zinc/05/98/85/363059885.db2.gz MYOYJAWOHJQRRW-UHFFFAOYSA-N 1 2 256.331 0.352 20 30 CCEDLO C[C@H](C#N)CN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603298661 363053381 /nfs/dbraw/zinc/05/33/81/363053381.db2.gz XWGJXHRDUHPZIW-LLVKDONJSA-N 1 2 282.369 0.837 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189437919 351679412 /nfs/dbraw/zinc/67/94/12/351679412.db2.gz UQPWIMGNZZHGFP-UONOGXRCSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189437919 351679417 /nfs/dbraw/zinc/67/94/17/351679417.db2.gz UQPWIMGNZZHGFP-UONOGXRCSA-N 1 2 282.384 0.923 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000189727345 351698287 /nfs/dbraw/zinc/69/82/87/351698287.db2.gz IGVYMAPINDUEDO-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO COc1cc[nH+]c(Cn2c(N)nc(C#N)c2C#N)c1OC ZINC000191070384 351744806 /nfs/dbraw/zinc/74/48/06/351744806.db2.gz YLVQLOQJRZAQMK-UHFFFAOYSA-N 1 2 284.279 0.669 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000229190630 352087769 /nfs/dbraw/zinc/08/77/69/352087769.db2.gz GCMKJCFVCNXUAZ-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000229190630 352087770 /nfs/dbraw/zinc/08/77/70/352087770.db2.gz GCMKJCFVCNXUAZ-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000235128843 352180489 /nfs/dbraw/zinc/18/04/89/352180489.db2.gz FCHDUAVMFHYESU-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000235442145 352184647 /nfs/dbraw/zinc/18/46/47/352184647.db2.gz FCHDUAVMFHYESU-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267174534 352748753 /nfs/dbraw/zinc/74/87/53/352748753.db2.gz VLPAQGHRWVJFTR-UHFFFAOYSA-N 1 2 297.399 0.377 20 30 CCEDLO N#Cc1nc(NC[C@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000267224574 352752810 /nfs/dbraw/zinc/75/28/10/352752810.db2.gz OOYHCUREOIHDDP-JTQLQIEISA-N 1 2 296.758 0.712 20 30 CCEDLO C[N@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272340153 353053725 /nfs/dbraw/zinc/05/37/25/353053725.db2.gz ONCBHDCJSRZAHV-ZDUSSCGKSA-N 1 2 286.335 0.471 20 30 CCEDLO C[N@@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272340153 353053726 /nfs/dbraw/zinc/05/37/26/353053726.db2.gz ONCBHDCJSRZAHV-ZDUSSCGKSA-N 1 2 286.335 0.471 20 30 CCEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000273961600 353113989 /nfs/dbraw/zinc/11/39/89/353113989.db2.gz FWTZXKLWBDVRBP-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000277022386 353217956 /nfs/dbraw/zinc/21/79/56/353217956.db2.gz CZLOTOXSNQHWGX-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000277022386 353217960 /nfs/dbraw/zinc/21/79/60/353217960.db2.gz CZLOTOXSNQHWGX-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C[C@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290264472 353718195 /nfs/dbraw/zinc/71/81/95/353718195.db2.gz KYRTYGMQYLIDAC-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO C[C@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290264472 353718198 /nfs/dbraw/zinc/71/81/98/353718198.db2.gz KYRTYGMQYLIDAC-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO C=CCOCC[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000294206080 353878958 /nfs/dbraw/zinc/87/89/58/353878958.db2.gz RPTAKAVTKHRFDT-LBPRGKRZSA-N 1 2 266.345 0.869 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000294206080 353878961 /nfs/dbraw/zinc/87/89/61/353878961.db2.gz RPTAKAVTKHRFDT-LBPRGKRZSA-N 1 2 266.345 0.869 20 30 CCEDLO CC[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295686907 353912048 /nfs/dbraw/zinc/91/20/48/353912048.db2.gz LDJJFPPXDNDRCB-LBPRGKRZSA-N 1 2 297.380 0.430 20 30 CCEDLO CC[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295686907 353912049 /nfs/dbraw/zinc/91/20/49/353912049.db2.gz LDJJFPPXDNDRCB-LBPRGKRZSA-N 1 2 297.380 0.430 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000295823618 353920988 /nfs/dbraw/zinc/92/09/88/353920988.db2.gz GSKWXVYJMLXNIA-ZDUSSCGKSA-N 1 2 274.368 0.943 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000295823618 353920990 /nfs/dbraw/zinc/92/09/90/353920990.db2.gz GSKWXVYJMLXNIA-ZDUSSCGKSA-N 1 2 274.368 0.943 20 30 CCEDLO Cc1cc(C[NH+]2CCN(C(=O)CO)CC2)ccc1C#N ZINC000330514386 354388537 /nfs/dbraw/zinc/38/85/37/354388537.db2.gz HGBOAVFPWZUVDI-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000558166586 291050113 /nfs/dbraw/zinc/05/01/13/291050113.db2.gz MQDLMCKUZHLUHF-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000558166586 291050117 /nfs/dbraw/zinc/05/01/17/291050117.db2.gz MQDLMCKUZHLUHF-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000336836655 355208562 /nfs/dbraw/zinc/20/85/62/355208562.db2.gz XJZWJZXOALPJML-UHFFFAOYSA-N 1 2 274.324 0.694 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000336836655 355208564 /nfs/dbraw/zinc/20/85/64/355208564.db2.gz XJZWJZXOALPJML-UHFFFAOYSA-N 1 2 274.324 0.694 20 30 CCEDLO CCS(=O)(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425227584 235275588 /nfs/dbraw/zinc/27/55/88/235275588.db2.gz RQFWXPOGDNWMOD-UHFFFAOYSA-N 1 2 294.380 0.733 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000425529651 235306159 /nfs/dbraw/zinc/30/61/59/235306159.db2.gz CHVSKCTWHIHVJJ-SECBINFHSA-N 1 2 283.339 0.761 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000425529651 235306161 /nfs/dbraw/zinc/30/61/61/235306161.db2.gz CHVSKCTWHIHVJJ-SECBINFHSA-N 1 2 283.339 0.761 20 30 CCEDLO N#Cc1ncn(CC(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC000427086873 235352651 /nfs/dbraw/zinc/35/26/51/235352651.db2.gz LJEIBFHFOCURSN-UHFFFAOYSA-N 1 2 281.279 0.114 20 30 CCEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000559290131 291081447 /nfs/dbraw/zinc/08/14/47/291081447.db2.gz ITYIRFYVORAKKD-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000559290131 291081450 /nfs/dbraw/zinc/08/14/50/291081450.db2.gz ITYIRFYVORAKKD-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCOCC1 ZINC000352841611 356094450 /nfs/dbraw/zinc/09/44/50/356094450.db2.gz UPTRIIDAQQLWPB-LLVKDONJSA-N 1 2 294.380 0.742 20 30 CCEDLO Cn1[nH]c(C[N@H+](C)Cc2cccc(C#N)c2)nc1=O ZINC000353481139 356233781 /nfs/dbraw/zinc/23/37/81/356233781.db2.gz RJMGTGYGSHRWBY-UHFFFAOYSA-N 1 2 257.297 0.612 20 30 CCEDLO Cn1[nH]c(C[N@@H+](C)Cc2cccc(C#N)c2)nc1=O ZINC000353481139 356233785 /nfs/dbraw/zinc/23/37/85/356233785.db2.gz RJMGTGYGSHRWBY-UHFFFAOYSA-N 1 2 257.297 0.612 20 30 CCEDLO C[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608783635 363462803 /nfs/dbraw/zinc/46/28/03/363462803.db2.gz LCNFTESOMCALMC-SECBINFHSA-N 1 2 256.269 0.694 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000619571685 366285088 /nfs/dbraw/zinc/28/50/88/366285088.db2.gz YSSUZJXNYWEZOY-UHFFFAOYSA-N 1 2 279.365 0.689 20 30 CCEDLO N#CCCn1ccc(=NC(=O)CCCn2cc[nH+]c2)[nH]1 ZINC000609788297 363517870 /nfs/dbraw/zinc/51/78/70/363517870.db2.gz DOWIAXZAZKQNKU-UHFFFAOYSA-N 1 2 272.312 0.834 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000619717101 366333841 /nfs/dbraw/zinc/33/38/41/366333841.db2.gz UUDAIPZZCOXDGY-GFCCVEGCSA-N 1 2 254.330 0.657 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@H](OCCO)C2)n1 ZINC000356210296 356724623 /nfs/dbraw/zinc/72/46/23/356724623.db2.gz CONZYWTYESCIJC-NSHDSACASA-N 1 2 267.354 0.988 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](OCCO)C2)n1 ZINC000356210296 356724626 /nfs/dbraw/zinc/72/46/26/356724626.db2.gz CONZYWTYESCIJC-NSHDSACASA-N 1 2 267.354 0.988 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000365986999 357182428 /nfs/dbraw/zinc/18/24/28/357182428.db2.gz MSBCMSPQAWQAPY-BFHYXJOUSA-N 1 2 279.384 0.084 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[nH]1 ZINC000610564306 363579753 /nfs/dbraw/zinc/57/97/53/363579753.db2.gz HJCWKFBPRPUUBQ-UHFFFAOYSA-N 1 2 299.338 0.848 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000376598611 357483006 /nfs/dbraw/zinc/48/30/06/357483006.db2.gz DPORSNNOQNGVOX-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000376598611 357483009 /nfs/dbraw/zinc/48/30/09/357483009.db2.gz DPORSNNOQNGVOX-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](C#N)CCC#N ZINC000610604381 363584593 /nfs/dbraw/zinc/58/45/93/363584593.db2.gz PCOYOJKQTLCDMW-GFCCVEGCSA-N 1 2 284.385 0.397 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](C#N)CCC#N ZINC000610604381 363584601 /nfs/dbraw/zinc/58/46/01/363584601.db2.gz PCOYOJKQTLCDMW-GFCCVEGCSA-N 1 2 284.385 0.397 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](C[C@H](C#N)CCC#N)CCN2C1=O ZINC000610605713 363586069 /nfs/dbraw/zinc/58/60/69/363586069.db2.gz WDEBDPZLTDNVAP-RYUDHWBXSA-N 1 2 289.339 0.398 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](C#N)CCC#N)CCN2C1=O ZINC000610605713 363586074 /nfs/dbraw/zinc/58/60/74/363586074.db2.gz WDEBDPZLTDNVAP-RYUDHWBXSA-N 1 2 289.339 0.398 20 30 CCEDLO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000562071783 291138011 /nfs/dbraw/zinc/13/80/11/291138011.db2.gz RLIHRSFVJGOMLL-MRVPVSSYSA-N 1 2 262.338 0.868 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493370207 358307338 /nfs/dbraw/zinc/30/73/38/358307338.db2.gz PCZMZNGERDBIQU-UPHRSURJSA-N 1 2 273.296 0.007 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000610768551 363611271 /nfs/dbraw/zinc/61/12/71/363611271.db2.gz LDDFPWOQRAQVHH-GFCCVEGCSA-N 1 2 250.302 0.708 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000573359321 358959783 /nfs/dbraw/zinc/95/97/83/358959783.db2.gz UWCOHFKRIPFRNV-WDEREUQCSA-N 1 2 257.359 0.843 20 30 CCEDLO CN1CC[NH+](C[C@@H](O)COc2cccc(F)c2C#N)CC1 ZINC000576163772 359045674 /nfs/dbraw/zinc/04/56/74/359045674.db2.gz AJPQRAVPCARIPY-GFCCVEGCSA-N 1 2 293.342 0.684 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(CC(N)=O)c1 ZINC000580316796 359081727 /nfs/dbraw/zinc/08/17/27/359081727.db2.gz BMQRLVFIGGTTJG-CYBMUJFWSA-N 1 2 291.351 0.300 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(CC(N)=O)c1 ZINC000580316796 359081732 /nfs/dbraw/zinc/08/17/32/359081732.db2.gz BMQRLVFIGGTTJG-CYBMUJFWSA-N 1 2 291.351 0.300 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000588212809 359317653 /nfs/dbraw/zinc/31/76/53/359317653.db2.gz OVJLDUZEEDKJOU-RYUDHWBXSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000588212809 359317654 /nfs/dbraw/zinc/31/76/54/359317654.db2.gz OVJLDUZEEDKJOU-RYUDHWBXSA-N 1 2 266.341 0.658 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587051334 359298119 /nfs/dbraw/zinc/29/81/19/359298119.db2.gz LNBYTEFHRMRRRL-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000587877730 359301392 /nfs/dbraw/zinc/30/13/92/359301392.db2.gz DUZUHCFQGQNDAI-LLVKDONJSA-N 1 2 261.329 0.211 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000587877730 359301394 /nfs/dbraw/zinc/30/13/94/359301394.db2.gz DUZUHCFQGQNDAI-LLVKDONJSA-N 1 2 261.329 0.211 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992216 363643375 /nfs/dbraw/zinc/64/33/75/363643375.db2.gz LIOAOUSSUCCQNJ-LBPRGKRZSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992216 363643380 /nfs/dbraw/zinc/64/33/80/363643380.db2.gz LIOAOUSSUCCQNJ-LBPRGKRZSA-N 1 2 294.380 0.467 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000611038808 363652609 /nfs/dbraw/zinc/65/26/09/363652609.db2.gz STHFVEXUJAJKQF-GFCCVEGCSA-N 1 2 274.324 0.433 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590219404 359430831 /nfs/dbraw/zinc/43/08/31/359430831.db2.gz FGBGBMFNWMJBMU-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590219404 359430834 /nfs/dbraw/zinc/43/08/34/359430834.db2.gz FGBGBMFNWMJBMU-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO CS(=O)(=O)NCC[N@H+](CC1(C#N)CC1)C1CC1 ZINC000589742968 359400989 /nfs/dbraw/zinc/40/09/89/359400989.db2.gz PFONOIWCIKZREM-UHFFFAOYSA-N 1 2 257.359 0.304 20 30 CCEDLO CS(=O)(=O)NCC[N@@H+](CC1(C#N)CC1)C1CC1 ZINC000589742968 359400993 /nfs/dbraw/zinc/40/09/93/359400993.db2.gz PFONOIWCIKZREM-UHFFFAOYSA-N 1 2 257.359 0.304 20 30 CCEDLO C[C@](C#N)(NC(=O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000590598988 359496262 /nfs/dbraw/zinc/49/62/62/359496262.db2.gz AXNZDQQPZOFNCQ-CQSZACIVSA-N 1 2 273.340 0.507 20 30 CCEDLO CCCCNc1cc(N2CC[C@@](O)(CC#N)C2)nc(N)[nH+]1 ZINC000591975701 359716392 /nfs/dbraw/zinc/71/63/92/359716392.db2.gz QRFKRRZKEXDZTK-AWEZNQCLSA-N 1 2 290.371 0.956 20 30 CCEDLO CCCCNc1cc(N2CC[C@@](O)(CC#N)C2)[nH+]c(N)n1 ZINC000591975701 359716394 /nfs/dbraw/zinc/71/63/94/359716394.db2.gz QRFKRRZKEXDZTK-AWEZNQCLSA-N 1 2 290.371 0.956 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592149527 359768849 /nfs/dbraw/zinc/76/88/49/359768849.db2.gz QMJWKFQXFPAMJB-OAHLLOKOSA-N 1 2 284.319 0.847 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592149527 359768854 /nfs/dbraw/zinc/76/88/54/359768854.db2.gz QMJWKFQXFPAMJB-OAHLLOKOSA-N 1 2 284.319 0.847 20 30 CCEDLO CCC(C)(C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174944 363670280 /nfs/dbraw/zinc/67/02/80/363670280.db2.gz UCLLCMIUDIPSDQ-UHFFFAOYSA-N 1 2 266.389 0.822 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)o1 ZINC000611276778 363700898 /nfs/dbraw/zinc/70/08/98/363700898.db2.gz IMDNMCAIKVWGAF-UHFFFAOYSA-N 1 2 283.353 0.619 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)o1 ZINC000611276778 363700902 /nfs/dbraw/zinc/70/09/02/363700902.db2.gz IMDNMCAIKVWGAF-UHFFFAOYSA-N 1 2 283.353 0.619 20 30 CCEDLO C[C@H](OCC1CC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155323 360048574 /nfs/dbraw/zinc/04/85/74/360048574.db2.gz NBHMJCRJBIVSFY-GWCFXTLKSA-N 1 2 253.346 0.762 20 30 CCEDLO CO[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000593153376 360048799 /nfs/dbraw/zinc/04/87/99/360048799.db2.gz MRGKMXWQKIUFGH-WPRPVWTQSA-N 1 2 281.278 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000593063335 360026480 /nfs/dbraw/zinc/02/64/80/360026480.db2.gz LTBXCHGGZKWWMY-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000593063335 360026485 /nfs/dbraw/zinc/02/64/85/360026485.db2.gz LTBXCHGGZKWWMY-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)C1CC1 ZINC000593094959 360034180 /nfs/dbraw/zinc/03/41/80/360034180.db2.gz MIXZDVHXKHCVHQ-UKQQZGDDSA-N 1 2 281.381 0.000 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)C1CC1 ZINC000593094959 360034183 /nfs/dbraw/zinc/03/41/83/360034183.db2.gz MIXZDVHXKHCVHQ-UKQQZGDDSA-N 1 2 281.381 0.000 20 30 CCEDLO CC[C@H](C#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000593451279 360091415 /nfs/dbraw/zinc/09/14/15/360091415.db2.gz KAGBFVMUBGSQGM-GFCCVEGCSA-N 1 2 291.355 0.704 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000298215181 200361888 /nfs/dbraw/zinc/36/18/88/200361888.db2.gz YZGDELSOGRYSIK-UHFFFAOYSA-N 1 2 297.399 0.200 20 30 CCEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000594009413 360233583 /nfs/dbraw/zinc/23/35/83/360233583.db2.gz KWCKIZYWDGEZGL-WDEREUQCSA-N 1 2 280.372 0.394 20 30 CCEDLO C=CCNC(=O)CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000177211929 189036809 /nfs/dbraw/zinc/03/68/09/189036809.db2.gz YJCXJXINAMWTMB-LLVKDONJSA-N 1 2 282.413 0.398 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645683 360345940 /nfs/dbraw/zinc/34/59/40/360345940.db2.gz QHYQOMDAHUUBQE-UHFFFAOYSA-N 1 2 269.312 0.159 20 30 CCEDLO N#CC1(C[NH2+]Cc2cn(CC(N)=O)nn2)CCCCC1 ZINC000594981086 360429096 /nfs/dbraw/zinc/42/90/96/360429096.db2.gz GGKDTPIKTVTZEM-UHFFFAOYSA-N 1 2 276.344 0.327 20 30 CCEDLO COC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)n1 ZINC000563420021 291227122 /nfs/dbraw/zinc/22/71/22/291227122.db2.gz IQMADGQZXDTIBD-JTQLQIEISA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)n1 ZINC000563420021 291227124 /nfs/dbraw/zinc/22/71/24/291227124.db2.gz IQMADGQZXDTIBD-JTQLQIEISA-N 1 2 290.323 0.482 20 30 CCEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)on1 ZINC000595335933 360499943 /nfs/dbraw/zinc/49/99/43/360499943.db2.gz YRXFONJNMWXZGJ-UHFFFAOYSA-N 1 2 294.355 0.731 20 30 CCEDLO C=CCCCN(CC)C(=O)CN1CC[NH2+]CC1=O ZINC001122412523 799227869 /nfs/dbraw/zinc/22/78/69/799227869.db2.gz WBDILZQSWHAMNG-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO COC(=O)CN(CC#N)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595343115 360501499 /nfs/dbraw/zinc/50/14/99/360501499.db2.gz XJANCVWZXFDFBC-TXEJJXNPSA-N 1 2 269.345 0.094 20 30 CCEDLO COC(=O)CN(CC#N)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595343115 360501500 /nfs/dbraw/zinc/50/15/00/360501500.db2.gz XJANCVWZXFDFBC-TXEJJXNPSA-N 1 2 269.345 0.094 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000595501959 360552122 /nfs/dbraw/zinc/55/21/22/360552122.db2.gz QULFRZMMPYFFRO-LLVKDONJSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000595501959 360552126 /nfs/dbraw/zinc/55/21/26/360552126.db2.gz QULFRZMMPYFFRO-LLVKDONJSA-N 1 2 281.356 0.632 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000595501991 360552516 /nfs/dbraw/zinc/55/25/16/360552516.db2.gz OQTUEYCLZLHHJP-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)CN(C)C1=O ZINC000595502715 360551938 /nfs/dbraw/zinc/55/19/38/360551938.db2.gz WSLNWMLBUKEGJA-UHFFFAOYSA-N 1 2 250.302 0.282 20 30 CCEDLO C=CC[N@H+](CCC#N)CCN1C(=O)CN(C)C1=O ZINC000595502715 360551946 /nfs/dbraw/zinc/55/19/46/360551946.db2.gz WSLNWMLBUKEGJA-UHFFFAOYSA-N 1 2 250.302 0.282 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612216 360597745 /nfs/dbraw/zinc/59/77/45/360597745.db2.gz TZXRBHDEGCGALB-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612216 360597749 /nfs/dbraw/zinc/59/77/49/360597749.db2.gz TZXRBHDEGCGALB-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708782 360626694 /nfs/dbraw/zinc/62/66/94/360626694.db2.gz AVLIOPVMACKAPV-QWRGUYRKSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708782 360626695 /nfs/dbraw/zinc/62/66/95/360626695.db2.gz AVLIOPVMACKAPV-QWRGUYRKSA-N 1 2 271.386 0.644 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835935 360672706 /nfs/dbraw/zinc/67/27/06/360672706.db2.gz VTTHXQWJTZZTGX-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835935 360672710 /nfs/dbraw/zinc/67/27/10/360672710.db2.gz VTTHXQWJTZZTGX-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802919 189147362 /nfs/dbraw/zinc/14/73/62/189147362.db2.gz FWBQYJUWFNQJQB-YUNKPMOVSA-N 1 2 292.404 0.994 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802919 189147363 /nfs/dbraw/zinc/14/73/63/189147363.db2.gz FWBQYJUWFNQJQB-YUNKPMOVSA-N 1 2 292.404 0.994 20 30 CCEDLO COC(=O)Cc1cc[nH+]c(N2CC[C@](O)(CC#N)C2)c1 ZINC000596289234 360870465 /nfs/dbraw/zinc/87/04/65/360870465.db2.gz ZHIZNXHSVAPLJY-CQSZACIVSA-N 1 2 275.308 0.652 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000596454256 360899089 /nfs/dbraw/zinc/89/90/89/360899089.db2.gz RKEOQWARJDNMIG-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000596454256 360899093 /nfs/dbraw/zinc/89/90/93/360899093.db2.gz RKEOQWARJDNMIG-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000596893135 360975453 /nfs/dbraw/zinc/97/54/53/360975453.db2.gz FHEDOLHWLXQQHW-TZMCWYRMSA-N 1 2 297.424 0.860 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000597052464 361000841 /nfs/dbraw/zinc/00/08/41/361000841.db2.gz KNXIDDSXSRHQBK-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000597052464 361000844 /nfs/dbraw/zinc/00/08/44/361000844.db2.gz KNXIDDSXSRHQBK-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)N([C@H](C)C#N)C2CC2)C1 ZINC000598127878 361339705 /nfs/dbraw/zinc/33/97/05/361339705.db2.gz DSMVXYZOGOVVER-PWSUYJOCSA-N 1 2 251.330 0.610 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)N([C@H](C)C#N)C2CC2)C1 ZINC000598127878 361339710 /nfs/dbraw/zinc/33/97/10/361339710.db2.gz DSMVXYZOGOVVER-PWSUYJOCSA-N 1 2 251.330 0.610 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598604855 361456926 /nfs/dbraw/zinc/45/69/26/361456926.db2.gz AREGJUOFWSFNAX-GHMZBOCLSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598604855 361456930 /nfs/dbraw/zinc/45/69/30/361456930.db2.gz AREGJUOFWSFNAX-GHMZBOCLSA-N 1 2 253.346 0.450 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598944278 361536479 /nfs/dbraw/zinc/53/64/79/361536479.db2.gz LTFUUHANNZVQAK-CYBMUJFWSA-N 1 2 281.319 0.908 20 30 CCEDLO COC(=O)c1ccc(NC[C@@H]2COCC[N@@H+]2C)c(C#N)n1 ZINC000599161826 361592975 /nfs/dbraw/zinc/59/29/75/361592975.db2.gz WNFNXVZJVNKCPO-SNVBAGLBSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1ccc(NC[C@@H]2COCC[N@H+]2C)c(C#N)n1 ZINC000599161826 361592977 /nfs/dbraw/zinc/59/29/77/361592977.db2.gz WNFNXVZJVNKCPO-SNVBAGLBSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000599280716 361630369 /nfs/dbraw/zinc/63/03/69/361630369.db2.gz KIKMTKQFMRMTET-LBPRGKRZSA-N 1 2 292.335 0.839 20 30 CCEDLO N#Cc1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)ccn1 ZINC000599439615 361704021 /nfs/dbraw/zinc/70/40/21/361704021.db2.gz YWTLGGPPOCTXDT-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599420469 361692478 /nfs/dbraw/zinc/69/24/78/361692478.db2.gz CVCWRUCNNARXRO-CQSZACIVSA-N 1 2 281.319 0.866 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599427868 361695691 /nfs/dbraw/zinc/69/56/91/361695691.db2.gz ZEAANTWQRGHXGK-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599427868 361695698 /nfs/dbraw/zinc/69/56/98/361695698.db2.gz ZEAANTWQRGHXGK-ZDUSSCGKSA-N 1 2 261.325 0.799 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1C#N ZINC000599434854 361701237 /nfs/dbraw/zinc/70/12/37/361701237.db2.gz KBNIUFKAZKRXQE-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1C#N ZINC000599434854 361701241 /nfs/dbraw/zinc/70/12/41/361701241.db2.gz KBNIUFKAZKRXQE-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO C[C@@]1(C#N)CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000612162089 363859064 /nfs/dbraw/zinc/85/90/64/363859064.db2.gz KBSYGDCAOIBOTF-KGLIPLIRSA-N 1 2 267.373 0.305 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000612901544 364037954 /nfs/dbraw/zinc/03/79/54/364037954.db2.gz GPFKBWRHCDKGQS-SMDDNHRTSA-N 1 2 261.325 0.714 20 30 CCEDLO C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cn1cc[nH+]c1 ZINC000342749401 216509760 /nfs/dbraw/zinc/50/97/60/216509760.db2.gz LRLVTSGYNOWUSU-MNOVXSKESA-N 1 2 287.327 0.360 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)CCC1 ZINC000615224414 364889510 /nfs/dbraw/zinc/88/95/10/364889510.db2.gz YKGDDXUMZBRXHD-UHFFFAOYSA-N 1 2 278.356 0.279 20 30 CCEDLO N#CC1(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)CCC1 ZINC000615224414 364889516 /nfs/dbraw/zinc/88/95/16/364889516.db2.gz YKGDDXUMZBRXHD-UHFFFAOYSA-N 1 2 278.356 0.279 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000615521214 364992265 /nfs/dbraw/zinc/99/22/65/364992265.db2.gz PUROUYSGDMAUJS-GFCCVEGCSA-N 1 2 265.292 0.920 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615546091 365000337 /nfs/dbraw/zinc/00/03/37/365000337.db2.gz FQAPJKREFGUALT-JSGCOSHPSA-N 1 2 297.378 0.269 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000615825444 365098288 /nfs/dbraw/zinc/09/82/88/365098288.db2.gz QMGRDAOVCKBJPH-ZWNOBZJWSA-N 1 2 262.288 0.910 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000615825439 365098328 /nfs/dbraw/zinc/09/83/28/365098328.db2.gz QMGRDAOVCKBJPH-GWCFXTLKSA-N 1 2 262.288 0.910 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697246 365430879 /nfs/dbraw/zinc/43/08/79/365430879.db2.gz WCUULMLMSHCQEF-NMKXLXIOSA-N 1 2 270.373 0.537 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697246 365430884 /nfs/dbraw/zinc/43/08/84/365430884.db2.gz WCUULMLMSHCQEF-NMKXLXIOSA-N 1 2 270.373 0.537 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000565247417 291366390 /nfs/dbraw/zinc/36/63/90/291366390.db2.gz ZQSBTTCOXNEFDC-NSHDSACASA-N 1 2 287.316 0.473 20 30 CCEDLO C=CC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000624735466 367975234 /nfs/dbraw/zinc/97/52/34/367975234.db2.gz RGGHUQVEDPHVCX-CYBMUJFWSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000624735466 367975240 /nfs/dbraw/zinc/97/52/40/367975240.db2.gz RGGHUQVEDPHVCX-CYBMUJFWSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574253607 335004245 /nfs/dbraw/zinc/00/42/45/335004245.db2.gz FJAJXTSPDZXJLT-WCQYABFASA-N 1 2 253.346 0.928 20 30 CCEDLO CC[C@H](O[NH+]=C(N)Cc1ccc(OC)cc1)C(N)=O ZINC000159398867 261185451 /nfs/dbraw/zinc/18/54/51/261185451.db2.gz OWBAESNRDUXRKY-NSHDSACASA-N 1 2 265.313 0.790 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000102325019 261212493 /nfs/dbraw/zinc/21/24/93/261212493.db2.gz CPCFZPJUKWEPGS-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C=CCNC(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000630611048 370209853 /nfs/dbraw/zinc/20/98/53/370209853.db2.gz WSHHBJKPAYUKTK-UHFFFAOYSA-N 1 2 293.371 0.191 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC2CC2)nn1 ZINC000630599863 370199288 /nfs/dbraw/zinc/19/92/88/370199288.db2.gz YVFLNVZRYIVGKJ-JTQLQIEISA-N 1 2 261.329 0.231 20 30 CCEDLO C=CCCCCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632535837 371127392 /nfs/dbraw/zinc/12/73/92/371127392.db2.gz CMOCWPYVPXVFBW-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632535837 371127395 /nfs/dbraw/zinc/12/73/95/371127395.db2.gz CMOCWPYVPXVFBW-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632753673 371244385 /nfs/dbraw/zinc/24/43/85/371244385.db2.gz JGWWETGXMNOGBO-UHFFFAOYSA-N 1 2 280.328 0.077 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCCC2)nn1 ZINC000656446672 412798578 /nfs/dbraw/zinc/79/85/78/412798578.db2.gz XQONTLRGPFVERD-LBPRGKRZSA-N 1 2 275.356 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](CO)C2(OC)CCC2)nn1 ZINC000656463399 412805618 /nfs/dbraw/zinc/80/56/18/412805618.db2.gz NZJWLGSKYZIDEI-ZDUSSCGKSA-N 1 2 278.356 0.494 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOC[C@@H]2CCCO2)nn1 ZINC000641060771 376730474 /nfs/dbraw/zinc/73/04/74/376730474.db2.gz UDTTUVBROVHPIZ-AWEZNQCLSA-N 1 2 278.356 0.587 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc3n2CCCCC3)nn1 ZINC000641165449 376831636 /nfs/dbraw/zinc/83/16/36/376831636.db2.gz CAOHXGFAVCUCFM-UHFFFAOYSA-N 1 2 299.382 0.757 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(OC)c2)nn1 ZINC000641168869 376836302 /nfs/dbraw/zinc/83/63/02/376836302.db2.gz AZWVQSNKHRIKRO-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641213184 376892387 /nfs/dbraw/zinc/89/23/87/376892387.db2.gz YJCYDEGUEVOUGZ-PWSUYJOCSA-N 1 2 252.318 0.266 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000685002469 545785169 /nfs/dbraw/zinc/78/51/69/545785169.db2.gz RSHUCOZOVSUNIH-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000685002469 545785176 /nfs/dbraw/zinc/78/51/76/545785176.db2.gz RSHUCOZOVSUNIH-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000657077258 412882702 /nfs/dbraw/zinc/88/27/02/412882702.db2.gz NDDHLKWDVUKAOO-UHFFFAOYSA-N 1 2 262.375 0.204 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000278945762 194223931 /nfs/dbraw/zinc/22/39/31/194223931.db2.gz MNTBXFLBXIBYIV-AWEZNQCLSA-N 1 2 258.321 0.615 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000278945762 194223932 /nfs/dbraw/zinc/22/39/32/194223932.db2.gz MNTBXFLBXIBYIV-AWEZNQCLSA-N 1 2 258.321 0.615 20 30 CCEDLO Cc1nc(N)c(CNC(=O)COc2ccc(C#N)cc2)c[nH+]1 ZINC000169349064 335043297 /nfs/dbraw/zinc/04/32/97/335043297.db2.gz JJCOTZPGUZCMDH-UHFFFAOYSA-N 1 2 297.318 0.934 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)NC(C)C)nn1 ZINC000657294578 412953083 /nfs/dbraw/zinc/95/30/83/412953083.db2.gz SGOSDDAJOUJLRK-UHFFFAOYSA-N 1 2 251.334 0.468 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)nn1 ZINC000657367336 412974565 /nfs/dbraw/zinc/97/45/65/412974565.db2.gz QTNYTKKHCQUPCE-LLVKDONJSA-N 1 2 284.385 0.521 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N(C)C)nn1 ZINC000657389154 412977604 /nfs/dbraw/zinc/97/76/04/412977604.db2.gz SLRMZCBKIQURRW-SNVBAGLBSA-N 1 2 251.334 0.421 20 30 CCEDLO CC(C)(CNc1ccnc(C#N)n1)[NH+]1CCS(=O)CC1 ZINC000572084443 291856798 /nfs/dbraw/zinc/85/67/98/291856798.db2.gz RKGRDORRZGSHGD-UHFFFAOYSA-N 1 2 293.396 0.025 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)nn1 ZINC000657416691 412985187 /nfs/dbraw/zinc/98/51/87/412985187.db2.gz PNUQLNQAXNPVCY-SNVBAGLBSA-N 1 2 272.374 0.377 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](CCO)C[C@H](C)O)c(C#N)c1C ZINC000289377877 197319457 /nfs/dbraw/zinc/31/94/57/197319457.db2.gz CAOVKLADBDMKKQ-VIFPVBQESA-N 1 2 295.339 0.382 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](CCO)C[C@H](C)O)c(C#N)c1C ZINC000289377877 197319458 /nfs/dbraw/zinc/31/94/58/197319458.db2.gz CAOVKLADBDMKKQ-VIFPVBQESA-N 1 2 295.339 0.382 20 30 CCEDLO C=CCCn1cc(C[NH2+]Cc2cnn(CCOC)c2)nn1 ZINC000657458463 412996227 /nfs/dbraw/zinc/99/62/27/412996227.db2.gz CWAOYFRHHRZQQM-UHFFFAOYSA-N 1 2 290.371 0.987 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000184385211 388772698 /nfs/dbraw/zinc/77/26/98/388772698.db2.gz JQMIMNISOPUQOE-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000284303309 388775978 /nfs/dbraw/zinc/77/59/78/388775978.db2.gz IMOLUMINTBFNQR-UHFFFAOYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285330123 388791427 /nfs/dbraw/zinc/79/14/27/388791427.db2.gz UGDHTYHBWDEGFK-UHFFFAOYSA-N 1 2 276.340 0.644 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000025520318 388815883 /nfs/dbraw/zinc/81/58/83/388815883.db2.gz VIBBCXJRIUUEHA-CYBMUJFWSA-N 1 2 287.363 0.652 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000026125152 388820069 /nfs/dbraw/zinc/82/00/69/388820069.db2.gz JQHRRYNAZJPKOJ-UHFFFAOYSA-N 1 2 288.351 0.940 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000026125152 388820072 /nfs/dbraw/zinc/82/00/72/388820072.db2.gz JQHRRYNAZJPKOJ-UHFFFAOYSA-N 1 2 288.351 0.940 20 30 CCEDLO C=CCCOCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288109168 388858998 /nfs/dbraw/zinc/85/89/98/388858998.db2.gz BDQCSAURKUOATO-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO C=CCCOCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288109168 388859001 /nfs/dbraw/zinc/85/90/01/388859001.db2.gz BDQCSAURKUOATO-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288991140 388866561 /nfs/dbraw/zinc/86/65/61/388866561.db2.gz LOUXFUMOWOHXSE-LBPRGKRZSA-N 1 2 286.331 0.998 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288991140 388866564 /nfs/dbraw/zinc/86/65/64/388866564.db2.gz LOUXFUMOWOHXSE-LBPRGKRZSA-N 1 2 286.331 0.998 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000290609403 388908869 /nfs/dbraw/zinc/90/88/69/388908869.db2.gz XAIYGWXNMIMDTG-HNNXBMFYSA-N 1 2 299.418 0.963 20 30 CCEDLO CC#CCN1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000160589144 262286175 /nfs/dbraw/zinc/28/61/75/262286175.db2.gz JPDYYLCDGPQKRN-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO CC#CC[NH+]1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000160589144 262286176 /nfs/dbraw/zinc/28/61/76/262286176.db2.gz JPDYYLCDGPQKRN-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177328 388917569 /nfs/dbraw/zinc/91/75/69/388917569.db2.gz QRUBYLRLXDCQFE-SNVBAGLBSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000049177328 388917570 /nfs/dbraw/zinc/91/75/70/388917570.db2.gz QRUBYLRLXDCQFE-SNVBAGLBSA-N 1 2 269.345 0.498 20 30 CCEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000066566773 388945281 /nfs/dbraw/zinc/94/52/81/388945281.db2.gz QZPHMRSGPHYWSP-ZIAGYGMSSA-N 1 2 278.400 0.822 20 30 CCEDLO CC#CC[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000293287800 388981122 /nfs/dbraw/zinc/98/11/22/388981122.db2.gz VSKZDHPUFYVJNQ-UHFFFAOYSA-N 1 2 266.366 0.920 20 30 CCEDLO CC#CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000293287800 388981127 /nfs/dbraw/zinc/98/11/27/388981127.db2.gz VSKZDHPUFYVJNQ-UHFFFAOYSA-N 1 2 266.366 0.920 20 30 CCEDLO C=CCC(F)(F)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000293631658 388986445 /nfs/dbraw/zinc/98/64/45/388986445.db2.gz UBANNQHOBLIIOC-UHFFFAOYSA-N 1 2 275.299 0.136 20 30 CCEDLO C=CCC(F)(F)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000293631658 388986447 /nfs/dbraw/zinc/98/64/47/388986447.db2.gz UBANNQHOBLIIOC-UHFFFAOYSA-N 1 2 275.299 0.136 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000294729696 388993378 /nfs/dbraw/zinc/99/33/78/388993378.db2.gz WFVRAOBLUNALET-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000294729696 388993380 /nfs/dbraw/zinc/99/33/80/388993380.db2.gz WFVRAOBLUNALET-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000336904210 389029961 /nfs/dbraw/zinc/02/99/61/389029961.db2.gz SKYFWTLQDWAFNG-UHFFFAOYSA-N 1 2 285.373 0.343 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000191129489 389006337 /nfs/dbraw/zinc/00/63/37/389006337.db2.gz LLQMCKCPSJJDAD-SNVBAGLBSA-N 1 2 280.376 0.715 20 30 CCEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000191129489 389006341 /nfs/dbraw/zinc/00/63/41/389006341.db2.gz LLQMCKCPSJJDAD-SNVBAGLBSA-N 1 2 280.376 0.715 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000191217029 389008749 /nfs/dbraw/zinc/00/87/49/389008749.db2.gz FZZVRXNRARBNGX-WZRBSPASSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000191217029 389008751 /nfs/dbraw/zinc/00/87/51/389008751.db2.gz FZZVRXNRARBNGX-WZRBSPASSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)[C@H](C)CS(C)(=O)=O)C1=O ZINC000337199271 389053436 /nfs/dbraw/zinc/05/34/36/389053436.db2.gz YQYJRSYIUREBGC-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@H](C)CS(C)(=O)=O)C1=O ZINC000337199271 389053443 /nfs/dbraw/zinc/05/34/43/389053443.db2.gz YQYJRSYIUREBGC-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000305078289 389083815 /nfs/dbraw/zinc/08/38/15/389083815.db2.gz WGPCJVMQJDWYCH-YIYPIFLZSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000305078289 389083817 /nfs/dbraw/zinc/08/38/17/389083817.db2.gz WGPCJVMQJDWYCH-YIYPIFLZSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1[nH+]ccn1C ZINC000105790418 389087251 /nfs/dbraw/zinc/08/72/51/389087251.db2.gz KBFWSQQPFPJPGL-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355118851 389042809 /nfs/dbraw/zinc/04/28/09/389042809.db2.gz BYEHNPVLRICZFP-WCQYABFASA-N 1 2 275.356 0.966 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355118851 389042811 /nfs/dbraw/zinc/04/28/11/389042811.db2.gz BYEHNPVLRICZFP-WCQYABFASA-N 1 2 275.356 0.966 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812608 389100421 /nfs/dbraw/zinc/10/04/21/389100421.db2.gz RJUYCJPFMCMAJO-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812608 389100423 /nfs/dbraw/zinc/10/04/23/389100423.db2.gz RJUYCJPFMCMAJO-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO C[C@H](CNC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121402271 389147808 /nfs/dbraw/zinc/14/78/08/389147808.db2.gz NTSSNUQIDJAIJF-NEPJUHHUSA-N 1 2 293.367 0.966 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCOCCC#N)C[C@@H](C)O1 ZINC000339173353 389127625 /nfs/dbraw/zinc/12/76/25/389127625.db2.gz RVXHRPJUMLKPDR-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCOCCC#N)C[C@@H](C)O1 ZINC000339173353 389127627 /nfs/dbraw/zinc/12/76/27/389127627.db2.gz RVXHRPJUMLKPDR-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOCCC#N ZINC000339198949 389128251 /nfs/dbraw/zinc/12/82/51/389128251.db2.gz LDJPDEJJFMELKY-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCOCCC#N ZINC000339198949 389128252 /nfs/dbraw/zinc/12/82/52/389128252.db2.gz LDJPDEJJFMELKY-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO CCS(=O)(=O)N1CC[N@H+](CCOCCC#N)[C@H](C)C1 ZINC000339197065 389128255 /nfs/dbraw/zinc/12/82/55/389128255.db2.gz FKMFOTSPKPHGKD-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO CCS(=O)(=O)N1CC[N@@H+](CCOCCC#N)[C@H](C)C1 ZINC000339197065 389128256 /nfs/dbraw/zinc/12/82/56/389128256.db2.gz FKMFOTSPKPHGKD-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](C(C)C)CC2=O)CC1 ZINC000113239356 389129474 /nfs/dbraw/zinc/12/94/74/389129474.db2.gz IUNVITVRLCOBIP-CQSZACIVSA-N 1 2 263.385 0.699 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328617970 389129560 /nfs/dbraw/zinc/12/95/60/389129560.db2.gz URALSGIFFIQSTC-NWDGAFQWSA-N 1 2 294.355 0.680 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000339354925 389130976 /nfs/dbraw/zinc/13/09/76/389130976.db2.gz KFUPIVQWCLXRPC-CYBMUJFWSA-N 1 2 264.300 0.609 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000339354925 389130980 /nfs/dbraw/zinc/13/09/80/389130980.db2.gz KFUPIVQWCLXRPC-CYBMUJFWSA-N 1 2 264.300 0.609 20 30 CCEDLO C[C@@H]1CN(CC#CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000339585211 389135985 /nfs/dbraw/zinc/13/59/85/389135985.db2.gz RMZISLXKDSVBHW-ZIAGYGMSSA-N 1 2 252.358 0.431 20 30 CCEDLO C[C@@H]1CN(CC#CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000339585211 389135987 /nfs/dbraw/zinc/13/59/87/389135987.db2.gz RMZISLXKDSVBHW-ZIAGYGMSSA-N 1 2 252.358 0.431 20 30 CCEDLO C[C@H](C(=O)NCc1ncn(C)n1)[NH+]1CCSCC1 ZINC000329075202 389149724 /nfs/dbraw/zinc/14/97/24/389149724.db2.gz PNBVVPDJVNRQAQ-SECBINFHSA-N 1 2 269.374 0.709 20 30 CCEDLO Cc1[nH]c(C(=O)NCCc2nnc3n2CCC3)c[nH+]1 ZINC000328780798 389137986 /nfs/dbraw/zinc/13/79/86/389137986.db2.gz MOQCUBKFTHAWBF-UHFFFAOYSA-N 1 2 260.301 0.803 20 30 CCEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CC1(C#N)CC1 ZINC000358039407 389141920 /nfs/dbraw/zinc/14/19/20/389141920.db2.gz XDBCSMBEZKYCQC-LBPRGKRZSA-N 1 2 294.399 0.772 20 30 CCEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CC1(C#N)CC1 ZINC000358039407 389141924 /nfs/dbraw/zinc/14/19/24/389141924.db2.gz XDBCSMBEZKYCQC-LBPRGKRZSA-N 1 2 294.399 0.772 20 30 CCEDLO CCNC(=O)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000328872086 389142149 /nfs/dbraw/zinc/14/21/49/389142149.db2.gz YNRXTQWALSIPAP-UHFFFAOYSA-N 1 2 264.329 0.788 20 30 CCEDLO C=C(C)CN(CC)c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000341746878 389192141 /nfs/dbraw/zinc/19/21/41/389192141.db2.gz ZSKDFBMASINBNU-UHFFFAOYSA-N 1 2 294.403 0.342 20 30 CCEDLO C=C(C)CN(CC)c1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000341746878 389192148 /nfs/dbraw/zinc/19/21/48/389192148.db2.gz ZSKDFBMASINBNU-UHFFFAOYSA-N 1 2 294.403 0.342 20 30 CCEDLO C=C(C)CN(CC)c1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000341746878 389192150 /nfs/dbraw/zinc/19/21/50/389192150.db2.gz ZSKDFBMASINBNU-UHFFFAOYSA-N 1 2 294.403 0.342 20 30 CCEDLO C[C@@H]1OCC[C@]12CN(C(=O)NCc1c[nH+]cn1C)CCO2 ZINC000329745374 389195983 /nfs/dbraw/zinc/19/59/83/389195983.db2.gz YJTAOKATYRWKGL-FZMZJTMJSA-N 1 2 294.355 0.714 20 30 CCEDLO O=C(NCCC1(O)CCC1)N1CCn2cc[nH+]c2C1 ZINC000329314047 389156095 /nfs/dbraw/zinc/15/60/95/389156095.db2.gz CJNKHSYGEBOGOS-UHFFFAOYSA-N 1 2 264.329 0.918 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329311485 389156227 /nfs/dbraw/zinc/15/62/27/389156227.db2.gz CPMBJUQTCOKNSQ-TUAOUCFPSA-N 1 2 264.329 0.500 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329311485 389156230 /nfs/dbraw/zinc/15/62/30/389156230.db2.gz CPMBJUQTCOKNSQ-TUAOUCFPSA-N 1 2 264.329 0.500 20 30 CCEDLO Cc1ocnc1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000329342415 389158285 /nfs/dbraw/zinc/15/82/85/389158285.db2.gz BBUZNCGVQYTWMO-UHFFFAOYSA-N 1 2 282.344 0.661 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCCCNC2=O)C1 ZINC000329406192 389162040 /nfs/dbraw/zinc/16/20/40/389162040.db2.gz AUYZNUACGRSLJG-VXGBXAGGSA-N 1 2 297.403 0.245 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCCCNC2=O)C1 ZINC000329406192 389162041 /nfs/dbraw/zinc/16/20/41/389162041.db2.gz AUYZNUACGRSLJG-VXGBXAGGSA-N 1 2 297.403 0.245 20 30 CCEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000329562764 389170886 /nfs/dbraw/zinc/17/08/86/389170886.db2.gz GPBMOWCPGARSSS-UHFFFAOYSA-N 1 2 283.397 0.790 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329561928 389171154 /nfs/dbraw/zinc/17/11/54/389171154.db2.gz MYFUEGONCJZXOX-WDEREUQCSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329561928 389171155 /nfs/dbraw/zinc/17/11/55/389171155.db2.gz MYFUEGONCJZXOX-WDEREUQCSA-N 1 2 293.327 0.046 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000127117165 389173041 /nfs/dbraw/zinc/17/30/41/389173041.db2.gz QGPHOCUKKNGCRJ-JTQLQIEISA-N 1 2 259.300 0.007 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H]1CCOC1 ZINC000329617542 389177061 /nfs/dbraw/zinc/17/70/61/389177061.db2.gz QDSRYRAFNKNXNR-ZDEQEGDKSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H]1CCOC1 ZINC000329617542 389177065 /nfs/dbraw/zinc/17/70/65/389177065.db2.gz QDSRYRAFNKNXNR-ZDEQEGDKSA-N 1 2 283.372 0.340 20 30 CCEDLO C=CCCC[C@@H](C)[NH+]=c1[nH]c2c(c(=O)[nH]c(=O)n2C)n1C ZINC000342791206 389252899 /nfs/dbraw/zinc/25/28/99/389252899.db2.gz SWAXQWUUTOVJOM-SECBINFHSA-N 1 2 291.355 0.951 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363809785 389254107 /nfs/dbraw/zinc/25/41/07/389254107.db2.gz BXDIXELPFGYLQW-GFCCVEGCSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363809785 389254108 /nfs/dbraw/zinc/25/41/08/389254108.db2.gz BXDIXELPFGYLQW-GFCCVEGCSA-N 1 2 267.373 0.608 20 30 CCEDLO N#CCCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000343152653 389259447 /nfs/dbraw/zinc/25/94/47/389259447.db2.gz WWKWTYJHFWETQM-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO Cc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330437413 389229529 /nfs/dbraw/zinc/22/95/29/389229529.db2.gz BSIMYRXCFQGNKZ-CYBMUJFWSA-N 1 2 278.352 0.993 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C#N ZINC000362208992 389231704 /nfs/dbraw/zinc/23/17/04/389231704.db2.gz VBEVUUVBHFFBDJ-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)o1 ZINC000330475483 389233840 /nfs/dbraw/zinc/23/38/40/389233840.db2.gz JKPSEQWFUPEFLJ-NSHDSACASA-N 1 2 283.328 0.289 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330523726 389237774 /nfs/dbraw/zinc/23/77/74/389237774.db2.gz JRDSWPJTTDKTQH-SNVBAGLBSA-N 1 2 287.360 0.162 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330523726 389237776 /nfs/dbraw/zinc/23/77/76/389237776.db2.gz JRDSWPJTTDKTQH-SNVBAGLBSA-N 1 2 287.360 0.162 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330529836 389238687 /nfs/dbraw/zinc/23/86/87/389238687.db2.gz MIHDYMAALBMFCX-NWDGAFQWSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330529836 389238689 /nfs/dbraw/zinc/23/86/89/389238689.db2.gz MIHDYMAALBMFCX-NWDGAFQWSA-N 1 2 270.373 0.803 20 30 CCEDLO C[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1S(C)(=O)=O ZINC000345801028 389315188 /nfs/dbraw/zinc/31/51/88/389315188.db2.gz DJFCNZDWTKMOOQ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1S(C)(=O)=O ZINC000345801028 389315190 /nfs/dbraw/zinc/31/51/90/389315190.db2.gz DJFCNZDWTKMOOQ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000331969517 389318089 /nfs/dbraw/zinc/31/80/89/389318089.db2.gz LFULKKKAYADKIT-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000331969517 389318090 /nfs/dbraw/zinc/31/80/90/389318090.db2.gz LFULKKKAYADKIT-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330992510 389275329 /nfs/dbraw/zinc/27/53/29/389275329.db2.gz SWTWMDXARAUNOF-TUAOUCFPSA-N 1 2 296.371 0.619 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330992510 389275331 /nfs/dbraw/zinc/27/53/31/389275331.db2.gz SWTWMDXARAUNOF-TUAOUCFPSA-N 1 2 296.371 0.619 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152338979 389288787 /nfs/dbraw/zinc/28/87/87/389288787.db2.gz AJGNOEJPLHKKCG-KBPBESRZSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152338979 389288788 /nfs/dbraw/zinc/28/87/88/389288788.db2.gz AJGNOEJPLHKKCG-KBPBESRZSA-N 1 2 295.383 0.628 20 30 CCEDLO C#CCOCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153881551 389308516 /nfs/dbraw/zinc/30/85/16/389308516.db2.gz UENMYXUYFYLLGM-CQSZACIVSA-N 1 2 280.368 0.350 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000267418650 389371017 /nfs/dbraw/zinc/37/10/17/389371017.db2.gz LYKHHKKIOINVOP-QWRGUYRKSA-N 1 2 269.345 0.474 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411124373 389416934 /nfs/dbraw/zinc/41/69/34/389416934.db2.gz HHBHOZZPLDSWPU-LBPRGKRZSA-N 1 2 280.372 0.347 20 30 CCEDLO N#CCN1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000265808156 389361403 /nfs/dbraw/zinc/36/14/03/389361403.db2.gz YVLPGBWHPZIOHF-UHFFFAOYSA-N 1 2 283.335 0.545 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000412450806 389479741 /nfs/dbraw/zinc/47/97/41/389479741.db2.gz VSDDWIFXXRMXOE-IUODEOHRSA-N 1 2 295.383 0.342 20 30 CCEDLO C[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000350045567 389480512 /nfs/dbraw/zinc/48/05/12/389480512.db2.gz AWBQVJBAAKDOIX-JTQLQIEISA-N 1 2 299.338 0.835 20 30 CCEDLO C=CCN(CCOC)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413270462 389487906 /nfs/dbraw/zinc/48/79/06/389487906.db2.gz VMBZTKCSAZRXHO-LLVKDONJSA-N 1 2 266.345 0.908 20 30 CCEDLO C=CCN(CCOC)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413270462 389487909 /nfs/dbraw/zinc/48/79/09/389487909.db2.gz VMBZTKCSAZRXHO-LLVKDONJSA-N 1 2 266.345 0.908 20 30 CCEDLO COCc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000269488911 389422061 /nfs/dbraw/zinc/42/20/61/389422061.db2.gz RRHQCKQRJOFIEA-UHFFFAOYSA-N 1 2 293.367 0.954 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269493475 389422079 /nfs/dbraw/zinc/42/20/79/389422079.db2.gz ONKAQGJNVSEYJE-CYBMUJFWSA-N 1 2 287.323 0.878 20 30 CCEDLO C#CC[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269633423 389424090 /nfs/dbraw/zinc/42/40/90/389424090.db2.gz IEWVIFCSRCWZAE-LLVKDONJSA-N 1 2 256.313 0.268 20 30 CCEDLO C#CC[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269633423 389424094 /nfs/dbraw/zinc/42/40/94/389424094.db2.gz IEWVIFCSRCWZAE-LLVKDONJSA-N 1 2 256.313 0.268 20 30 CCEDLO CC(C)(C#N)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413444028 389510593 /nfs/dbraw/zinc/51/05/93/389510593.db2.gz NTJLXNSDFOKIGO-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000350705028 389535384 /nfs/dbraw/zinc/53/53/84/389535384.db2.gz WUQZJHIXIILWHA-SNVBAGLBSA-N 1 2 296.396 0.852 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000350705028 389535387 /nfs/dbraw/zinc/53/53/87/389535387.db2.gz WUQZJHIXIILWHA-SNVBAGLBSA-N 1 2 296.396 0.852 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334187 262359637 /nfs/dbraw/zinc/35/96/37/262359637.db2.gz ILUJUSXAZHUZCV-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334187 262359640 /nfs/dbraw/zinc/35/96/40/262359640.db2.gz ILUJUSXAZHUZCV-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO CC(C)[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000351147552 389565843 /nfs/dbraw/zinc/56/58/43/389565843.db2.gz RFSWIEJPYVPELS-CQSZACIVSA-N 1 2 292.383 0.999 20 30 CCEDLO CC(C)[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000351147552 389565847 /nfs/dbraw/zinc/56/58/47/389565847.db2.gz RFSWIEJPYVPELS-CQSZACIVSA-N 1 2 292.383 0.999 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(N)=O)c2ccccc2)C1=O ZINC000281254346 389612012 /nfs/dbraw/zinc/61/20/12/389612012.db2.gz HCDXCFITGODWFY-UONOGXRCSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(N)=O)c2ccccc2)C1=O ZINC000281254346 389612014 /nfs/dbraw/zinc/61/20/14/389612014.db2.gz HCDXCFITGODWFY-UONOGXRCSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374858728 389613772 /nfs/dbraw/zinc/61/37/72/389613772.db2.gz RDIILSUWNRFWSG-SNVBAGLBSA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCCOC)C1=O ZINC000281375192 389615908 /nfs/dbraw/zinc/61/59/08/389615908.db2.gz ORSWPHAGAZFJES-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCCOC)C1=O ZINC000281375192 389615911 /nfs/dbraw/zinc/61/59/11/389615911.db2.gz ORSWPHAGAZFJES-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO CN(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1c[nH+]cn1C ZINC000424965148 389636787 /nfs/dbraw/zinc/63/67/87/389636787.db2.gz IPZSAMCKBILYCL-DMDPSCGWSA-N 1 2 275.356 0.831 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C(=O)OC)C1=O ZINC000281931967 389637021 /nfs/dbraw/zinc/63/70/21/389637021.db2.gz IAXFSUZESNDEAS-QWRGUYRKSA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)OC)C1=O ZINC000281931967 389637025 /nfs/dbraw/zinc/63/70/25/389637025.db2.gz IAXFSUZESNDEAS-QWRGUYRKSA-N 1 2 252.314 0.411 20 30 CCEDLO CC(C)[C@]1(C)CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414158932 389602810 /nfs/dbraw/zinc/60/28/10/389602810.db2.gz XYMVUHZVHNDRPV-DOMZBBRYSA-N 1 2 295.383 0.614 20 30 CCEDLO CC(C)[C@]1(C)CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414158932 389602816 /nfs/dbraw/zinc/60/28/16/389602816.db2.gz XYMVUHZVHNDRPV-DOMZBBRYSA-N 1 2 295.383 0.614 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000351820729 389690806 /nfs/dbraw/zinc/69/08/06/389690806.db2.gz PGNWSYSETFEGOU-ZDUSSCGKSA-N 1 2 253.346 0.717 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)C(F)(F)F ZINC000181729776 389693018 /nfs/dbraw/zinc/69/30/18/389693018.db2.gz OOKRWRLYHDIYPH-LLVKDONJSA-N 1 2 295.305 0.457 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)ncn2)CC1 ZINC000428468295 389700508 /nfs/dbraw/zinc/70/05/08/389700508.db2.gz DPTZWRCETBCVKH-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)nn1 ZINC000657640519 413041931 /nfs/dbraw/zinc/04/19/31/413041931.db2.gz XVBHHKQXWTXHQR-NEPJUHHUSA-N 1 2 298.412 0.910 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416666870 389765082 /nfs/dbraw/zinc/76/50/82/389765082.db2.gz PJPXWGCLCOSSRM-STQMWFEESA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416666870 389765083 /nfs/dbraw/zinc/76/50/83/389765083.db2.gz PJPXWGCLCOSSRM-STQMWFEESA-N 1 2 290.429 0.669 20 30 CCEDLO Cc1ncc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000389100323 389771397 /nfs/dbraw/zinc/77/13/97/389771397.db2.gz IOAIMWJYWABLHP-UHFFFAOYSA-N 1 2 280.353 0.198 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O ZINC000395317135 389777201 /nfs/dbraw/zinc/77/72/01/389777201.db2.gz JQTNUWXOCPZLJU-CHWSQXEVSA-N 1 2 295.383 0.363 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O ZINC000395317135 389777202 /nfs/dbraw/zinc/77/72/02/389777202.db2.gz JQTNUWXOCPZLJU-CHWSQXEVSA-N 1 2 295.383 0.363 20 30 CCEDLO CN(C(=O)C[N@@H+]1CCOC[C@H](O)C1)C1(C#N)CCCCC1 ZINC000399876050 389795127 /nfs/dbraw/zinc/79/51/27/389795127.db2.gz WESBNIDGJRZZPL-CYBMUJFWSA-N 1 2 295.383 0.364 20 30 CCEDLO CN(C(=O)C[N@H+]1CCOC[C@H](O)C1)C1(C#N)CCCCC1 ZINC000399876050 389795129 /nfs/dbraw/zinc/79/51/29/389795129.db2.gz WESBNIDGJRZZPL-CYBMUJFWSA-N 1 2 295.383 0.364 20 30 CCEDLO C#CCOCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376221026 389731446 /nfs/dbraw/zinc/73/14/46/389731446.db2.gz LGMBVPRVPZIIQA-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000429120039 389738132 /nfs/dbraw/zinc/73/81/32/389738132.db2.gz BUFFIVDZFGVTDI-UHFFFAOYSA-N 1 2 288.351 0.372 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000429120039 389738137 /nfs/dbraw/zinc/73/81/37/389738137.db2.gz BUFFIVDZFGVTDI-UHFFFAOYSA-N 1 2 288.351 0.372 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)NCc1cccc(C#N)c1 ZINC000429112010 389738371 /nfs/dbraw/zinc/73/83/71/389738371.db2.gz AUYRRHCRESJDET-UHFFFAOYSA-N 1 2 288.351 0.372 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)NCc1cccc(C#N)c1 ZINC000429112010 389738373 /nfs/dbraw/zinc/73/83/73/389738373.db2.gz AUYRRHCRESJDET-UHFFFAOYSA-N 1 2 288.351 0.372 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073379 389746286 /nfs/dbraw/zinc/74/62/86/389746286.db2.gz GLODSJPDLDJUMB-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073379 389746288 /nfs/dbraw/zinc/74/62/88/389746288.db2.gz GLODSJPDLDJUMB-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000352413944 389807048 /nfs/dbraw/zinc/80/70/48/389807048.db2.gz ROCDTIGUSXZKRD-JTQLQIEISA-N 1 2 299.421 0.938 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000352413944 389807051 /nfs/dbraw/zinc/80/70/51/389807051.db2.gz ROCDTIGUSXZKRD-JTQLQIEISA-N 1 2 299.421 0.938 20 30 CCEDLO CC(C)[C@@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]1CCOCC1 ZINC000352415260 389807223 /nfs/dbraw/zinc/80/72/23/389807223.db2.gz XEAODNOVKWOIFW-VXGBXAGGSA-N 1 2 289.401 0.175 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)s1 ZINC000443857746 389886120 /nfs/dbraw/zinc/88/61/20/389886120.db2.gz PGPPOOURCBKGEV-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)s1 ZINC000443857746 389886122 /nfs/dbraw/zinc/88/61/22/389886122.db2.gz PGPPOOURCBKGEV-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433317868 389908230 /nfs/dbraw/zinc/90/82/30/389908230.db2.gz FIHCURWRKOPFER-SECBINFHSA-N 1 2 255.318 0.146 20 30 CCEDLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433317868 389908231 /nfs/dbraw/zinc/90/82/31/389908231.db2.gz FIHCURWRKOPFER-SECBINFHSA-N 1 2 255.318 0.146 20 30 CCEDLO COCCCS(=O)(=O)NCC[N@H+](C)CC(C)(C)C#N ZINC000433304905 389908235 /nfs/dbraw/zinc/90/82/35/389908235.db2.gz OLEQYZFASNZOFB-UHFFFAOYSA-N 1 2 291.417 0.424 20 30 CCEDLO COCCCS(=O)(=O)NCC[N@@H+](C)CC(C)(C)C#N ZINC000433304905 389908236 /nfs/dbraw/zinc/90/82/36/389908236.db2.gz OLEQYZFASNZOFB-UHFFFAOYSA-N 1 2 291.417 0.424 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433313707 389908252 /nfs/dbraw/zinc/90/82/52/389908252.db2.gz RPEKMMJSHMAWCP-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433313707 389908253 /nfs/dbraw/zinc/90/82/53/389908253.db2.gz RPEKMMJSHMAWCP-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@H](C#N)CCC#N ZINC000435537388 389958378 /nfs/dbraw/zinc/95/83/78/389958378.db2.gz WZPCJEWJHZEJIX-KGLIPLIRSA-N 1 2 280.372 0.055 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000433767096 389918717 /nfs/dbraw/zinc/91/87/17/389918717.db2.gz UAVROSNEUSTQBK-LBPRGKRZSA-N 1 2 278.356 0.910 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000433767096 389918718 /nfs/dbraw/zinc/91/87/18/389918718.db2.gz UAVROSNEUSTQBK-LBPRGKRZSA-N 1 2 278.356 0.910 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943525 390039332 /nfs/dbraw/zinc/03/93/32/390039332.db2.gz RDQIJBRCZJOJLQ-QWHCGFSZSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943525 390039333 /nfs/dbraw/zinc/03/93/33/390039333.db2.gz RDQIJBRCZJOJLQ-QWHCGFSZSA-N 1 2 297.399 0.466 20 30 CCEDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000440635944 390041611 /nfs/dbraw/zinc/04/16/11/390041611.db2.gz FDPXXMUNRNPPCL-CQSZACIVSA-N 1 2 296.367 0.930 20 30 CCEDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000440635944 390041613 /nfs/dbraw/zinc/04/16/13/390041613.db2.gz FDPXXMUNRNPPCL-CQSZACIVSA-N 1 2 296.367 0.930 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000448972885 389992364 /nfs/dbraw/zinc/99/23/64/389992364.db2.gz WJVGOVWKKNWXMF-AAEUAGOBSA-N 1 2 251.330 0.327 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cncc(C#N)n2)C1 ZINC000420645966 390020067 /nfs/dbraw/zinc/02/00/67/390020067.db2.gz ZNBWOFDSIYFXON-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cncc(C#N)n2)C1 ZINC000420645966 390020070 /nfs/dbraw/zinc/02/00/70/390020070.db2.gz ZNBWOFDSIYFXON-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000468947763 390077158 /nfs/dbraw/zinc/07/71/58/390077158.db2.gz LVCVLHXUZPBJPF-RRFJBIMHSA-N 1 2 295.427 0.720 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478940209 390081097 /nfs/dbraw/zinc/08/10/97/390081097.db2.gz YKLKLGJKIIOVBK-CHWSQXEVSA-N 1 2 281.356 0.096 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC000493137350 390119295 /nfs/dbraw/zinc/11/92/95/390119295.db2.gz AUHCTCKHAXHGPD-VXGBXAGGSA-N 1 2 279.340 0.300 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC000493137350 390119296 /nfs/dbraw/zinc/11/92/96/390119296.db2.gz AUHCTCKHAXHGPD-VXGBXAGGSA-N 1 2 279.340 0.300 20 30 CCEDLO Cc1cc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)ccc1C#N ZINC000488096643 390091647 /nfs/dbraw/zinc/09/16/47/390091647.db2.gz FBZAAOPEAGIYDW-CYBMUJFWSA-N 1 2 287.363 0.892 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)/C=C/c2[nH]cc[nH+]2)C1=O ZINC000493350167 390123710 /nfs/dbraw/zinc/12/37/10/390123710.db2.gz IQULFRJARDJDNC-SGUJLRQBSA-N 1 2 274.324 0.668 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000579794434 390208649 /nfs/dbraw/zinc/20/86/49/390208649.db2.gz WXDKZCOWZNWUHK-NSHDSACASA-N 1 2 250.346 0.851 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000579794434 390208653 /nfs/dbraw/zinc/20/86/53/390208653.db2.gz WXDKZCOWZNWUHK-NSHDSACASA-N 1 2 250.346 0.851 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000580280077 390233707 /nfs/dbraw/zinc/23/37/07/390233707.db2.gz UQUZPUJUUVBIHF-UHFFFAOYSA-N 1 2 277.372 0.923 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000580280077 390233711 /nfs/dbraw/zinc/23/37/11/390233711.db2.gz UQUZPUJUUVBIHF-UHFFFAOYSA-N 1 2 277.372 0.923 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H](C)C#N)C2)CC1 ZINC000541019561 390234648 /nfs/dbraw/zinc/23/46/48/390234648.db2.gz KSPLMVAHAMSDSN-KGLIPLIRSA-N 1 2 293.415 0.567 20 30 CCEDLO Cc1onc(CC(=O)N2CC(n3cc[nH+]c3)C2)c1C#N ZINC000541857655 390249694 /nfs/dbraw/zinc/24/96/94/390249694.db2.gz WYIYLYKDXGCVLF-UHFFFAOYSA-N 1 2 271.280 0.677 20 30 CCEDLO CC#CC[C@@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000645407382 390422193 /nfs/dbraw/zinc/42/21/93/390422193.db2.gz TXQGIEHAVUXLNR-NSHDSACASA-N 1 2 270.336 0.702 20 30 CCEDLO Cc1ccc(C(N)=O)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000518543973 390493759 /nfs/dbraw/zinc/49/37/59/390493759.db2.gz ZERMDZOWRNQHTE-CYBMUJFWSA-N 1 2 291.351 0.679 20 30 CCEDLO Cc1ccc(C(N)=O)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000518543973 390493764 /nfs/dbraw/zinc/49/37/64/390493764.db2.gz ZERMDZOWRNQHTE-CYBMUJFWSA-N 1 2 291.351 0.679 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000649191213 390518128 /nfs/dbraw/zinc/51/81/28/390518128.db2.gz NOGLQGCUZSMOSL-LBPRGKRZSA-N 1 2 271.320 0.767 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCCC#N ZINC000505502487 390463387 /nfs/dbraw/zinc/46/33/87/390463387.db2.gz YBXDERJHYGIUFF-UHFFFAOYSA-N 1 2 268.361 0.253 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCCC#N ZINC000505502487 390463389 /nfs/dbraw/zinc/46/33/89/390463389.db2.gz YBXDERJHYGIUFF-UHFFFAOYSA-N 1 2 268.361 0.253 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+](C(C)C)C2)nn1 ZINC000514788702 390469455 /nfs/dbraw/zinc/46/94/55/390469455.db2.gz UAGJAWBNAJARBB-UHFFFAOYSA-N 1 2 263.345 0.677 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000649188546 390516527 /nfs/dbraw/zinc/51/65/27/390516527.db2.gz MPUWXYFJCNHOFZ-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1=O ZINC000645936726 390535583 /nfs/dbraw/zinc/53/55/83/390535583.db2.gz VGIQNHNZUFSGEH-RYUDHWBXSA-N 1 2 285.338 0.799 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1=O ZINC000645936726 390535587 /nfs/dbraw/zinc/53/55/87/390535587.db2.gz VGIQNHNZUFSGEH-RYUDHWBXSA-N 1 2 285.338 0.799 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnccn1 ZINC000570021780 390717147 /nfs/dbraw/zinc/71/71/47/390717147.db2.gz UBDJJMLAALHTBO-UHFFFAOYSA-N 1 2 275.356 0.524 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000646818465 390724463 /nfs/dbraw/zinc/72/44/63/390724463.db2.gz TVGKDIQOAOQJGI-OCCSQVGLSA-N 1 2 275.352 0.834 20 30 CCEDLO COC(=O)c1ccnc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567114596 390673136 /nfs/dbraw/zinc/67/31/36/390673136.db2.gz SDGDKIRDQRNHDM-AWEZNQCLSA-N 1 2 290.323 0.442 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000567367896 390695650 /nfs/dbraw/zinc/69/56/50/390695650.db2.gz DKFWXJLTHXMTRT-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000567367896 390695651 /nfs/dbraw/zinc/69/56/51/390695651.db2.gz DKFWXJLTHXMTRT-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000646589199 390698238 /nfs/dbraw/zinc/69/82/38/390698238.db2.gz NWGLEPRTJIXYME-OAHLLOKOSA-N 1 2 290.363 0.682 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000528630474 390764378 /nfs/dbraw/zinc/76/43/78/390764378.db2.gz RUFYMVKMHNUMMU-GRYCIOLGSA-N 1 2 266.345 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000528630474 390764382 /nfs/dbraw/zinc/76/43/82/390764382.db2.gz RUFYMVKMHNUMMU-GRYCIOLGSA-N 1 2 266.345 0.308 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(C#N)nc1 ZINC000528419455 390742124 /nfs/dbraw/zinc/74/21/24/390742124.db2.gz GLVZZDCHRBXOAJ-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(C#N)nc1 ZINC000528419455 390742125 /nfs/dbraw/zinc/74/21/25/390742125.db2.gz GLVZZDCHRBXOAJ-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4cncc4C3)cnc12 ZINC000578192935 390869142 /nfs/dbraw/zinc/86/91/42/390869142.db2.gz FXNWDTJGHUBUBW-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCn4cncc4C3)cnc12 ZINC000578192935 390869146 /nfs/dbraw/zinc/86/91/46/390869146.db2.gz FXNWDTJGHUBUBW-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191420093 130234189 /nfs/dbraw/zinc/23/41/89/130234189.db2.gz OSGZOOYRZIDJLN-CYBMUJFWSA-N 1 2 260.341 0.997 20 30 CCEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191420093 130234193 /nfs/dbraw/zinc/23/41/93/130234193.db2.gz OSGZOOYRZIDJLN-CYBMUJFWSA-N 1 2 260.341 0.997 20 30 CCEDLO N#Cc1cccc(NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000269413178 132167496 /nfs/dbraw/zinc/16/74/96/132167496.db2.gz ZQHWPEDCLGJYGL-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO CCN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000034674247 397375666 /nfs/dbraw/zinc/37/56/66/397375666.db2.gz FSGNNKZMBZYEKT-HNNXBMFYSA-N 1 2 289.379 0.935 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000359198606 144201073 /nfs/dbraw/zinc/20/10/73/144201073.db2.gz WBNYQUFLAYNQIL-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000359198606 144201075 /nfs/dbraw/zinc/20/10/75/144201075.db2.gz WBNYQUFLAYNQIL-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000329609567 286140972 /nfs/dbraw/zinc/14/09/72/286140972.db2.gz JBKMZBNUWCMHFO-KCQAQPDRSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000329609567 286140974 /nfs/dbraw/zinc/14/09/74/286140974.db2.gz JBKMZBNUWCMHFO-KCQAQPDRSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)ncn1 ZINC000553262212 286187225 /nfs/dbraw/zinc/18/72/25/286187225.db2.gz LRVZQFBNRYKWCO-AAEUAGOBSA-N 1 2 273.340 0.648 20 30 CCEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000659330503 413421107 /nfs/dbraw/zinc/42/11/07/413421107.db2.gz XNXSVUUORRHXNY-QWHCGFSZSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651883156 411951367 /nfs/dbraw/zinc/95/13/67/411951367.db2.gz YAUJMXYGODKWOS-GFCCVEGCSA-N 1 2 274.386 0.033 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651883156 411951371 /nfs/dbraw/zinc/95/13/71/411951371.db2.gz YAUJMXYGODKWOS-GFCCVEGCSA-N 1 2 274.386 0.033 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652998645 412188815 /nfs/dbraw/zinc/18/88/15/412188815.db2.gz VEAHMAFUCQABKT-UHFFFAOYSA-N 1 2 296.411 0.987 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OCCO)C2)nn1 ZINC000653557035 412317693 /nfs/dbraw/zinc/31/76/93/412317693.db2.gz YVEICBAZWABNQC-AWEZNQCLSA-N 1 2 280.372 0.828 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)nn1 ZINC000653557035 412317695 /nfs/dbraw/zinc/31/76/95/412317695.db2.gz YVEICBAZWABNQC-AWEZNQCLSA-N 1 2 280.372 0.828 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653747968 412341886 /nfs/dbraw/zinc/34/18/86/412341886.db2.gz POBCTBVKDGEWMD-ZJUUUORDSA-N 1 2 251.334 0.861 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCOC)C[C@@H](O)C(F)(F)F ZINC000653789927 412348496 /nfs/dbraw/zinc/34/84/96/412348496.db2.gz CNZGSVKGUXJKNQ-SECBINFHSA-N 1 2 284.278 0.160 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCOC)C[C@@H](O)C(F)(F)F ZINC000653789927 412348500 /nfs/dbraw/zinc/34/85/00/412348500.db2.gz CNZGSVKGUXJKNQ-SECBINFHSA-N 1 2 284.278 0.160 20 30 CCEDLO Cc1nsc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC000285535745 196318589 /nfs/dbraw/zinc/31/85/89/196318589.db2.gz HOSQWUSNOMALRW-SNVBAGLBSA-N 1 2 282.369 0.428 20 30 CCEDLO C=CC[N@@H+](C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000660071182 414088784 /nfs/dbraw/zinc/08/87/84/414088784.db2.gz XDHSVQKCNOVHEW-NWDGAFQWSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CC[N@H+](C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000660071182 414088794 /nfs/dbraw/zinc/08/87/94/414088794.db2.gz XDHSVQKCNOVHEW-NWDGAFQWSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CCOCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661007585 414543482 /nfs/dbraw/zinc/54/34/82/414543482.db2.gz MSABUPCADMLDKS-CYBMUJFWSA-N 1 2 283.372 0.305 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661278551 414590887 /nfs/dbraw/zinc/59/08/87/414590887.db2.gz DETMTRBCAAZCEJ-IVZWLZJFSA-N 1 2 250.302 0.735 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661580109 414644994 /nfs/dbraw/zinc/64/49/94/414644994.db2.gz RPLINVWOQOUZBZ-GFCCVEGCSA-N 1 2 273.402 0.212 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665029288 415511368 /nfs/dbraw/zinc/51/13/68/415511368.db2.gz RZLWHHOTYHFBTK-SYQHCUMBSA-N 1 2 297.399 0.738 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665029288 415511374 /nfs/dbraw/zinc/51/13/74/415511374.db2.gz RZLWHHOTYHFBTK-SYQHCUMBSA-N 1 2 297.399 0.738 20 30 CCEDLO Cc1nnc(CC(=O)NCC[N@@H+]2CCOCC2(C)C)o1 ZINC000330126317 228044903 /nfs/dbraw/zinc/04/49/03/228044903.db2.gz IPIXIPMONFGNCI-UHFFFAOYSA-N 1 2 282.344 0.988 20 30 CCEDLO Cc1nnc(CC(=O)NCC[N@H+]2CCOCC2(C)C)o1 ZINC000330126317 228044904 /nfs/dbraw/zinc/04/49/04/228044904.db2.gz IPIXIPMONFGNCI-UHFFFAOYSA-N 1 2 282.344 0.988 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330239509 228076678 /nfs/dbraw/zinc/07/66/78/228076678.db2.gz DTIKJIJGHPRPHH-UWVGGRQHSA-N 1 2 297.384 0.275 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330239509 228076681 /nfs/dbraw/zinc/07/66/81/228076681.db2.gz DTIKJIJGHPRPHH-UWVGGRQHSA-N 1 2 297.384 0.275 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@H](O)C1CC1 ZINC000330244675 228078153 /nfs/dbraw/zinc/07/81/53/228078153.db2.gz DJGVRHAJIIPIEW-MNOVXSKESA-N 1 2 264.329 0.472 20 30 CCEDLO [O-]C(NC[C@H](O)C1CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330244675 228078155 /nfs/dbraw/zinc/07/81/55/228078155.db2.gz DJGVRHAJIIPIEW-MNOVXSKESA-N 1 2 264.329 0.472 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCC1 ZINC000331890543 228135555 /nfs/dbraw/zinc/13/55/55/228135555.db2.gz PLFWNORITGZUQI-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000042542030 544428481 /nfs/dbraw/zinc/42/84/81/544428481.db2.gz SAIGDFZTLMEINF-ZDUSSCGKSA-N 1 2 290.367 0.239 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000042542030 544428488 /nfs/dbraw/zinc/42/84/88/544428488.db2.gz SAIGDFZTLMEINF-ZDUSSCGKSA-N 1 2 290.367 0.239 20 30 CCEDLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330330048 228148605 /nfs/dbraw/zinc/14/86/05/228148605.db2.gz WTKWFKUQAWQEHT-MRVPVSSYSA-N 1 2 251.290 0.594 20 30 CCEDLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330330048 228148606 /nfs/dbraw/zinc/14/86/06/228148606.db2.gz WTKWFKUQAWQEHT-MRVPVSSYSA-N 1 2 251.290 0.594 20 30 CCEDLO C[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C)[NH+]1CCOCC1 ZINC000329757490 545026032 /nfs/dbraw/zinc/02/60/32/545026032.db2.gz MYYXFJZKANHZLF-MBNYWOFBSA-N 1 2 285.388 0.778 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000407977474 260139859 /nfs/dbraw/zinc/13/98/59/260139859.db2.gz XRMROASMZLGZRF-LBPRGKRZSA-N 1 2 288.417 0.491 20 30 CCEDLO N#CCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000408194655 260595170 /nfs/dbraw/zinc/59/51/70/260595170.db2.gz XSCKALOSVUHMFJ-UHFFFAOYSA-N 1 2 268.342 0.763 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000153770367 261082667 /nfs/dbraw/zinc/08/26/67/261082667.db2.gz BZVZDOGXVJUKBM-CQSZACIVSA-N 1 2 273.336 0.778 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@@H]2CCOC)C1=O ZINC000361518150 261312166 /nfs/dbraw/zinc/31/21/66/261312166.db2.gz FXRIHQUWZHZMRL-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@@H]2CCOC)C1=O ZINC000361518150 261312168 /nfs/dbraw/zinc/31/21/68/261312168.db2.gz FXRIHQUWZHZMRL-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCC2OCCO2)cc1 ZINC000194627711 262240543 /nfs/dbraw/zinc/24/05/43/262240543.db2.gz HQTUMSVKDIUEIZ-UHFFFAOYSA-N 1 2 266.297 0.899 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cncc(F)c1 ZINC000281245628 263067634 /nfs/dbraw/zinc/06/76/34/263067634.db2.gz VLUVBHPUFGZVRE-UHFFFAOYSA-N 1 2 268.292 0.342 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000281856310 263072410 /nfs/dbraw/zinc/07/24/10/263072410.db2.gz ZCKWGVOCXBJJNV-NSHDSACASA-N 1 2 297.384 0.419 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000283079160 263080957 /nfs/dbraw/zinc/08/09/57/263080957.db2.gz VMKZNZUEXGJZAO-LLVKDONJSA-N 1 2 285.373 0.342 20 30 CCEDLO Cc1cnn(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000288988106 263106924 /nfs/dbraw/zinc/10/69/24/263106924.db2.gz CYTODBZNIACIMM-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289604617 263111052 /nfs/dbraw/zinc/11/10/52/263111052.db2.gz QMKMQGNIVVZYEJ-JTQLQIEISA-N 1 2 283.357 0.177 20 30 CCEDLO C=CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330689533 264003875 /nfs/dbraw/zinc/00/38/75/264003875.db2.gz YAPIAJUQMYKQNQ-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330689533 264003876 /nfs/dbraw/zinc/00/38/76/264003876.db2.gz YAPIAJUQMYKQNQ-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO COC[C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330690606 264004181 /nfs/dbraw/zinc/00/41/81/264004181.db2.gz FUGLKQHUBVKXDB-VXGBXAGGSA-N 1 2 272.393 0.018 20 30 CCEDLO COC[C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330690606 264004184 /nfs/dbraw/zinc/00/41/84/264004184.db2.gz FUGLKQHUBVKXDB-VXGBXAGGSA-N 1 2 272.393 0.018 20 30 CCEDLO C=C1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000330704393 264018513 /nfs/dbraw/zinc/01/85/13/264018513.db2.gz MMRGRYIGXBITQZ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1coc(C(N)=O)c1 ZINC000330800961 264041647 /nfs/dbraw/zinc/04/16/47/264041647.db2.gz CYADHWUXMWQIOR-SECBINFHSA-N 1 2 281.312 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1coc(C(N)=O)c1 ZINC000330800961 264041648 /nfs/dbraw/zinc/04/16/48/264041648.db2.gz CYADHWUXMWQIOR-SECBINFHSA-N 1 2 281.312 0.404 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330816549 264046190 /nfs/dbraw/zinc/04/61/90/264046190.db2.gz DKHOJLADLFLXQB-SNVBAGLBSA-N 1 2 289.401 0.082 20 30 CCEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330816549 264046193 /nfs/dbraw/zinc/04/61/93/264046193.db2.gz DKHOJLADLFLXQB-SNVBAGLBSA-N 1 2 289.401 0.082 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)C[C@H](C)C#N ZINC000330786660 264053289 /nfs/dbraw/zinc/05/32/89/264053289.db2.gz WAWFSDHTDLYAGD-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)C[C@H](C)C#N ZINC000330786660 264053291 /nfs/dbraw/zinc/05/32/91/264053291.db2.gz WAWFSDHTDLYAGD-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO Cn1cccc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330934310 264079960 /nfs/dbraw/zinc/07/99/60/264079960.db2.gz IBVOUQVYSLMFHT-CYBMUJFWSA-N 1 2 279.388 0.275 20 30 CCEDLO Cn1cccc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330934310 264079963 /nfs/dbraw/zinc/07/99/63/264079963.db2.gz IBVOUQVYSLMFHT-CYBMUJFWSA-N 1 2 279.388 0.275 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000330943117 264084406 /nfs/dbraw/zinc/08/44/06/264084406.db2.gz HERMVGINNZPFSM-SNVBAGLBSA-N 1 2 296.396 0.572 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000330943117 264084407 /nfs/dbraw/zinc/08/44/07/264084407.db2.gz HERMVGINNZPFSM-SNVBAGLBSA-N 1 2 296.396 0.572 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000330949420 264086019 /nfs/dbraw/zinc/08/60/19/264086019.db2.gz NOCAYWSPAUBDKN-NXEZZACHSA-N 1 2 271.361 0.924 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000330949420 264086025 /nfs/dbraw/zinc/08/60/25/264086025.db2.gz NOCAYWSPAUBDKN-NXEZZACHSA-N 1 2 271.361 0.924 20 30 CCEDLO CN(Cc1ccc[nH]1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331057219 264109436 /nfs/dbraw/zinc/10/94/36/264109436.db2.gz LWOQALKKWRSGDN-GFCCVEGCSA-N 1 2 266.345 0.691 20 30 CCEDLO CN(Cc1ccc[nH]1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331057219 264109437 /nfs/dbraw/zinc/10/94/37/264109437.db2.gz LWOQALKKWRSGDN-GFCCVEGCSA-N 1 2 266.345 0.691 20 30 CCEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000128101894 264273541 /nfs/dbraw/zinc/27/35/41/264273541.db2.gz WGDBPOMWGXZPKS-VXGBXAGGSA-N 1 2 294.399 0.555 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189394362 264298567 /nfs/dbraw/zinc/29/85/67/264298567.db2.gz XVMPRRWUUZGZHU-RDBSUJKOSA-N 1 2 297.399 0.730 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189394362 264298568 /nfs/dbraw/zinc/29/85/68/264298568.db2.gz XVMPRRWUUZGZHU-RDBSUJKOSA-N 1 2 297.399 0.730 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802417 264343916 /nfs/dbraw/zinc/34/39/16/264343916.db2.gz BYBOXHDTXSWZPL-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802417 264343917 /nfs/dbraw/zinc/34/39/17/264343917.db2.gz BYBOXHDTXSWZPL-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000076650830 264345301 /nfs/dbraw/zinc/34/53/01/264345301.db2.gz CTIODWJKWSOVDR-UHFFFAOYSA-N 1 2 276.311 0.982 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131108009 264365186 /nfs/dbraw/zinc/36/51/86/264365186.db2.gz MBQMACDKWUBZJU-UHFFFAOYSA-N 1 2 269.389 0.997 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131108009 264365188 /nfs/dbraw/zinc/36/51/88/264365188.db2.gz MBQMACDKWUBZJU-UHFFFAOYSA-N 1 2 269.389 0.997 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000184342933 264765121 /nfs/dbraw/zinc/76/51/21/264765121.db2.gz YQPBUXAJUYOQED-CYBMUJFWSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000292348811 264866118 /nfs/dbraw/zinc/86/61/18/264866118.db2.gz TZYVQAMZOGBINM-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000362616810 267024063 /nfs/dbraw/zinc/02/40/63/267024063.db2.gz YEHBSHQYRNQDFB-ZDUSSCGKSA-N 1 2 274.368 0.894 20 30 CCEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484466 278363117 /nfs/dbraw/zinc/36/31/17/278363117.db2.gz POIPHLUGIKZDMO-UHFFFAOYSA-N 1 2 284.335 0.938 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000330321752 303515469 /nfs/dbraw/zinc/51/54/69/303515469.db2.gz GGJPPBIOTCWSRP-CQSZACIVSA-N 1 2 296.371 0.285 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000376121551 327713771 /nfs/dbraw/zinc/71/37/71/327713771.db2.gz YTTPNUBFZZOZPT-YPMHNXCESA-N 1 2 250.346 0.042 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000563505928 328070536 /nfs/dbraw/zinc/07/05/36/328070536.db2.gz ITVSHFUGGCIBLZ-DGAVXFQQSA-N 1 2 282.384 0.803 20 30 CCEDLO Cc1c(CN(CCC#N)CC[NH+]2CCOCC2)cnn1C ZINC000269056117 328189294 /nfs/dbraw/zinc/18/92/94/328189294.db2.gz ZBZOCLFWHYDMET-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(CC#N)CC2)n1 ZINC000177461989 329184349 /nfs/dbraw/zinc/18/43/49/329184349.db2.gz PWFKQJQWIPSTPU-NSHDSACASA-N 1 2 279.344 0.808 20 30 CCEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(CC#N)CC2)n1 ZINC000177461989 329184350 /nfs/dbraw/zinc/18/43/50/329184350.db2.gz PWFKQJQWIPSTPU-NSHDSACASA-N 1 2 279.344 0.808 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366590104 328237785 /nfs/dbraw/zinc/23/77/85/328237785.db2.gz LAHALISJEXCUFO-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366590104 328237786 /nfs/dbraw/zinc/23/77/86/328237786.db2.gz LAHALISJEXCUFO-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCCS(=O)(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000129529790 328483689 /nfs/dbraw/zinc/48/36/89/328483689.db2.gz ZBKJLEBWILYALW-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283604978 328515021 /nfs/dbraw/zinc/51/50/21/328515021.db2.gz PQMGPNFMQXCMIL-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO Cc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1C#N ZINC000558899877 327130187 /nfs/dbraw/zinc/13/01/87/327130187.db2.gz XEIQEZPTCMCSGG-AWEZNQCLSA-N 1 2 271.324 0.835 20 30 CCEDLO N#CCOc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000077253167 327131703 /nfs/dbraw/zinc/13/17/03/327131703.db2.gz DJJZTWBTYCDPBB-UHFFFAOYSA-N 1 2 275.352 0.699 20 30 CCEDLO COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@@H](C)C#N ZINC000559303758 327157395 /nfs/dbraw/zinc/15/73/95/327157395.db2.gz WQYBOHZKQKRXPX-QMMMGPOBSA-N 1 2 250.302 0.764 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368046623 327222531 /nfs/dbraw/zinc/22/25/31/327222531.db2.gz RBMGDTVRWSQOAY-WCQYABFASA-N 1 2 283.372 0.086 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368046623 327222533 /nfs/dbraw/zinc/22/25/33/327222533.db2.gz RBMGDTVRWSQOAY-WCQYABFASA-N 1 2 283.372 0.086 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368046611 327222549 /nfs/dbraw/zinc/22/25/49/327222549.db2.gz RBMGDTVRWSQOAY-AAEUAGOBSA-N 1 2 283.372 0.086 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368046611 327222550 /nfs/dbraw/zinc/22/25/50/327222550.db2.gz RBMGDTVRWSQOAY-AAEUAGOBSA-N 1 2 283.372 0.086 20 30 CCEDLO Cc1noc(C)c1CO[NH+]=C(N)CN1CCOCC1 ZINC000111182329 327277650 /nfs/dbraw/zinc/27/76/50/327277650.db2.gz JWXKCNICAHXDRM-UHFFFAOYSA-N 1 2 268.317 0.412 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000560485046 327313203 /nfs/dbraw/zinc/31/32/03/327313203.db2.gz ROEAPRCCKLNXQO-GHMZBOCLSA-N 1 2 278.356 0.100 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000560485046 327313204 /nfs/dbraw/zinc/31/32/04/327313204.db2.gz ROEAPRCCKLNXQO-GHMZBOCLSA-N 1 2 278.356 0.100 20 30 CCEDLO Cc1cc(COCC(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000582185142 328619393 /nfs/dbraw/zinc/61/93/93/328619393.db2.gz ZOWOUSUEFSTGDT-ZDUSSCGKSA-N 1 2 280.328 0.460 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)C(C)(C)C ZINC000519575523 328690833 /nfs/dbraw/zinc/69/08/33/328690833.db2.gz FJISYEKANPEOLE-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000377532817 329017757 /nfs/dbraw/zinc/01/77/57/329017757.db2.gz BLZQFSNQFRBGHS-RRFJBIMHSA-N 1 2 294.395 0.901 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000378326151 329046068 /nfs/dbraw/zinc/04/60/68/329046068.db2.gz KWFAJDQTOSRDIJ-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000378326151 329046069 /nfs/dbraw/zinc/04/60/69/329046069.db2.gz KWFAJDQTOSRDIJ-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO COCCCS(=O)(=O)NCC[NH+]1CCC(C#N)CC1 ZINC000175137920 329163334 /nfs/dbraw/zinc/16/33/34/329163334.db2.gz FBTNUELNLFSTJY-UHFFFAOYSA-N 1 2 289.401 0.178 20 30 CCEDLO C#CCOc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178609658 329201465 /nfs/dbraw/zinc/20/14/65/329201465.db2.gz PHYNLMLWGWZSLO-HNNXBMFYSA-N 1 2 299.374 0.428 20 30 CCEDLO C=CCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000230303544 329365503 /nfs/dbraw/zinc/36/55/03/329365503.db2.gz DPVQUCNAZBMFSS-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO C=CCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000230303544 329365505 /nfs/dbraw/zinc/36/55/05/329365505.db2.gz DPVQUCNAZBMFSS-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000190163047 329392410 /nfs/dbraw/zinc/39/24/10/329392410.db2.gz ZIVVDFNMXBYBOM-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000190163047 329392412 /nfs/dbraw/zinc/39/24/12/329392412.db2.gz ZIVVDFNMXBYBOM-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033644 330324229 /nfs/dbraw/zinc/32/42/29/330324229.db2.gz DKXBYYJEIXCNGX-STQMWFEESA-N 1 2 275.356 0.920 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033644 330324230 /nfs/dbraw/zinc/32/42/30/330324230.db2.gz DKXBYYJEIXCNGX-STQMWFEESA-N 1 2 275.356 0.920 20 30 CCEDLO C#CC[N@@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119070886 330369676 /nfs/dbraw/zinc/36/96/76/330369676.db2.gz IVTYPJUFFMQTBV-ZDUSSCGKSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119070886 330369677 /nfs/dbraw/zinc/36/96/77/330369677.db2.gz IVTYPJUFFMQTBV-ZDUSSCGKSA-N 1 2 271.382 0.535 20 30 CCEDLO CCC[C@H](OC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448837284 330885450 /nfs/dbraw/zinc/88/54/50/330885450.db2.gz SGTWVBBWRAOQEO-AWEZNQCLSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451991663 331049652 /nfs/dbraw/zinc/04/96/52/331049652.db2.gz KWSWHXNAYUQEMB-LLVKDONJSA-N 1 2 268.361 0.024 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451991663 331049653 /nfs/dbraw/zinc/04/96/53/331049653.db2.gz KWSWHXNAYUQEMB-LLVKDONJSA-N 1 2 268.361 0.024 20 30 CCEDLO CC#CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457443509 331223147 /nfs/dbraw/zinc/22/31/47/331223147.db2.gz SHZLUKAFDITQLA-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C=C(CC)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000459072979 331269188 /nfs/dbraw/zinc/26/91/88/331269188.db2.gz IXTHBPGEHWUIOQ-CYBMUJFWSA-N 1 2 285.388 0.287 20 30 CCEDLO CC(C)(C)OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164797982 331305182 /nfs/dbraw/zinc/30/51/82/331305182.db2.gz CVHLIIMGDKJCCM-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490713578 332107506 /nfs/dbraw/zinc/10/75/06/332107506.db2.gz KWRVDEPECWVQAQ-VHSXEESVSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490713578 332107507 /nfs/dbraw/zinc/10/75/07/332107507.db2.gz KWRVDEPECWVQAQ-VHSXEESVSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000490719087 332108781 /nfs/dbraw/zinc/10/87/81/332108781.db2.gz LLTPEVNGFUQTMD-STQMWFEESA-N 1 2 293.346 0.265 20 30 CCEDLO C#CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000490719087 332108783 /nfs/dbraw/zinc/10/87/83/332108783.db2.gz LLTPEVNGFUQTMD-STQMWFEESA-N 1 2 293.346 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000490761910 332113683 /nfs/dbraw/zinc/11/36/83/332113683.db2.gz XZLQARMGPDNKKU-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000490761910 332113684 /nfs/dbraw/zinc/11/36/84/332113684.db2.gz XZLQARMGPDNKKU-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2noc(CC)n2)CC1 ZINC000491066548 332144402 /nfs/dbraw/zinc/14/44/02/332144402.db2.gz DKIGHPKKEKUIDV-UHFFFAOYSA-N 1 2 276.340 0.593 20 30 CCEDLO C#CC[N@@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491146968 332156333 /nfs/dbraw/zinc/15/63/33/332156333.db2.gz PRONEQUSTOCTQL-LBPRGKRZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491146968 332156335 /nfs/dbraw/zinc/15/63/35/332156335.db2.gz PRONEQUSTOCTQL-LBPRGKRZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000491284972 332180684 /nfs/dbraw/zinc/18/06/84/332180684.db2.gz AUAMBJDPMUKDOP-GFCCVEGCSA-N 1 2 299.330 0.888 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000491284972 332180685 /nfs/dbraw/zinc/18/06/85/332180685.db2.gz AUAMBJDPMUKDOP-GFCCVEGCSA-N 1 2 299.330 0.888 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@](C)(F)C2)CC1 ZINC000491506070 332224921 /nfs/dbraw/zinc/22/49/21/332224921.db2.gz OIADTXOXIPBAQL-HNNXBMFYSA-N 1 2 281.375 0.588 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC000491506070 332224922 /nfs/dbraw/zinc/22/49/22/332224922.db2.gz OIADTXOXIPBAQL-HNNXBMFYSA-N 1 2 281.375 0.588 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000491623712 332248201 /nfs/dbraw/zinc/24/82/01/332248201.db2.gz HPXYEHBPMKFFQE-QMMMGPOBSA-N 1 2 290.323 0.002 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000491623712 332248202 /nfs/dbraw/zinc/24/82/02/332248202.db2.gz HPXYEHBPMKFFQE-QMMMGPOBSA-N 1 2 290.323 0.002 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000491629896 332252630 /nfs/dbraw/zinc/25/26/30/332252630.db2.gz MQBRSMMNWIWKCM-IUCAKERBSA-N 1 2 295.364 0.718 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000491690339 332287350 /nfs/dbraw/zinc/28/73/50/332287350.db2.gz BASFHIRGFRFQDX-STQMWFEESA-N 1 2 265.309 0.491 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000491690339 332287351 /nfs/dbraw/zinc/28/73/51/332287351.db2.gz BASFHIRGFRFQDX-STQMWFEESA-N 1 2 265.309 0.491 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCC2CC2)CC1 ZINC000491749689 332326571 /nfs/dbraw/zinc/32/65/71/332326571.db2.gz ZPTNJJGOEQPPDI-UHFFFAOYSA-N 1 2 252.383 0.907 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000491767093 332334933 /nfs/dbraw/zinc/33/49/33/332334933.db2.gz GENBRIAFCOTCCA-CHWSQXEVSA-N 1 2 281.377 0.960 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000491767093 332334935 /nfs/dbraw/zinc/33/49/35/332334935.db2.gz GENBRIAFCOTCCA-CHWSQXEVSA-N 1 2 281.377 0.960 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000491801606 332355924 /nfs/dbraw/zinc/35/59/24/332355924.db2.gz CZRJYBFFZUUDIT-CQSZACIVSA-N 1 2 297.358 0.879 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000491801606 332355925 /nfs/dbraw/zinc/35/59/25/332355925.db2.gz CZRJYBFFZUUDIT-CQSZACIVSA-N 1 2 297.358 0.879 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491807814 332360871 /nfs/dbraw/zinc/36/08/71/332360871.db2.gz TTXSTTJUVMNWCN-STQMWFEESA-N 1 2 288.351 0.915 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000491811475 332364118 /nfs/dbraw/zinc/36/41/18/332364118.db2.gz LSKJXJTZBCGUPL-GFCCVEGCSA-N 1 2 290.342 0.481 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819302 332369308 /nfs/dbraw/zinc/36/93/08/332369308.db2.gz STFUYOFVJGPVLA-JSGCOSHPSA-N 1 2 295.408 0.870 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819302 332369309 /nfs/dbraw/zinc/36/93/09/332369309.db2.gz STFUYOFVJGPVLA-JSGCOSHPSA-N 1 2 295.408 0.870 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000192220128 333232613 /nfs/dbraw/zinc/23/26/13/333232613.db2.gz JOOBYTWXFFQONA-CQSZACIVSA-N 1 2 273.336 0.155 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000192220128 333232615 /nfs/dbraw/zinc/23/26/15/333232615.db2.gz JOOBYTWXFFQONA-CQSZACIVSA-N 1 2 273.336 0.155 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000522165419 333254243 /nfs/dbraw/zinc/25/42/43/333254243.db2.gz QYUKMAAFDIPRJJ-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000522165419 333254244 /nfs/dbraw/zinc/25/42/44/333254244.db2.gz QYUKMAAFDIPRJJ-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)OCO2 ZINC000576044164 335145105 /nfs/dbraw/zinc/14/51/05/335145105.db2.gz KIERKPLCIUSBQT-AWEZNQCLSA-N 1 2 275.308 0.989 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000066566735 333625674 /nfs/dbraw/zinc/62/56/74/333625674.db2.gz JCPDWOUCPCUQMW-CABCVRRESA-N 1 2 277.412 0.932 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000128442217 333672338 /nfs/dbraw/zinc/67/23/38/333672338.db2.gz BPCKRSNGUFSLLU-UHFFFAOYSA-N 1 2 288.347 0.851 20 30 CCEDLO N#CCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000543801288 333899721 /nfs/dbraw/zinc/89/97/21/333899721.db2.gz KWBYFNQBCOHYOB-UHFFFAOYSA-N 1 2 280.372 0.654 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134862137 334105949 /nfs/dbraw/zinc/10/59/49/334105949.db2.gz BOTGPTGUZRHDOK-UHFFFAOYSA-N 1 2 287.367 0.758 20 30 CCEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245459143 334195062 /nfs/dbraw/zinc/19/50/62/334195062.db2.gz LBMBSPXRMRCFAZ-BZPMIXESSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245459143 334195063 /nfs/dbraw/zinc/19/50/63/334195063.db2.gz LBMBSPXRMRCFAZ-BZPMIXESSA-N 1 2 265.357 0.906 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000555482945 334479677 /nfs/dbraw/zinc/47/96/77/334479677.db2.gz OQBKAGJXLAPVMF-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000566114945 334624411 /nfs/dbraw/zinc/62/44/11/334624411.db2.gz BDVSICJIWWARDP-JTQLQIEISA-N 1 2 278.337 0.476 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566739490 334662487 /nfs/dbraw/zinc/66/24/87/334662487.db2.gz FZNXUFNRYAVUKE-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO Cc1noc(C)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578074067 335480296 /nfs/dbraw/zinc/48/02/96/335480296.db2.gz ITZDEJOXMBCSEH-LBPRGKRZSA-N 1 2 250.302 0.865 20 30 CCEDLO Cn1c[nH+]cc1Cc1noc(-c2cnn(C)c2C#N)n1 ZINC000350187923 335495828 /nfs/dbraw/zinc/49/58/28/335495828.db2.gz CDJRFIOQIBETLD-UHFFFAOYSA-N 1 2 269.268 0.666 20 30 CCEDLO CO[C@@H](C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000581618868 336113744 /nfs/dbraw/zinc/11/37/44/336113744.db2.gz RGEOKRKGHQQNOM-LBPRGKRZSA-N 1 2 291.351 0.587 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000352490524 534567307 /nfs/dbraw/zinc/56/73/07/534567307.db2.gz JQOJDOGKWGQOTF-LLVKDONJSA-N 1 2 269.320 0.609 20 30 CCEDLO Cc1nnc(CCNc2cc(C)[nH+]cc2C#N)n1C ZINC000425257104 534865792 /nfs/dbraw/zinc/86/57/92/534865792.db2.gz QCOZJDZPONLJEK-UHFFFAOYSA-N 1 2 256.313 0.775 20 30 CCEDLO C=CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000665946428 545110514 /nfs/dbraw/zinc/11/05/14/545110514.db2.gz YNLJZXWAXIUMIY-UHFFFAOYSA-N 1 2 277.372 0.823 20 30 CCEDLO C=CCN1CC[C@@H](SCC[NH+]2CCOCC2)C1=O ZINC000347691886 526487616 /nfs/dbraw/zinc/48/76/16/526487616.db2.gz CQNWDQBAMVEAGJ-GFCCVEGCSA-N 1 2 270.398 0.839 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332668649 526637633 /nfs/dbraw/zinc/63/76/33/526637633.db2.gz BBDRODVIWFPHNI-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332668649 526637638 /nfs/dbraw/zinc/63/76/38/526637638.db2.gz BBDRODVIWFPHNI-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355132637 526715857 /nfs/dbraw/zinc/71/58/57/526715857.db2.gz LYKRIVMCJJCQQH-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCn1cc[nH+]c1 ZINC000666352733 545120512 /nfs/dbraw/zinc/12/05/12/545120512.db2.gz CAZQDFMHUZIJFH-GFCCVEGCSA-N 1 2 264.329 0.470 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667247936 545141755 /nfs/dbraw/zinc/14/17/55/545141755.db2.gz NEPIUGXMZZGILC-GHMZBOCLSA-N 1 2 264.329 0.555 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000330145220 527716508 /nfs/dbraw/zinc/71/65/08/527716508.db2.gz SCHQNWUADXCTHB-CYBMUJFWSA-N 1 2 295.383 0.675 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000330145220 527716513 /nfs/dbraw/zinc/71/65/13/527716513.db2.gz SCHQNWUADXCTHB-CYBMUJFWSA-N 1 2 295.383 0.675 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669287900 545204415 /nfs/dbraw/zinc/20/44/15/545204415.db2.gz ADABBQVUSQKXIT-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000669909435 545222959 /nfs/dbraw/zinc/22/29/59/545222959.db2.gz VZZJMBIVBGMDOH-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000670105591 545228992 /nfs/dbraw/zinc/22/89/92/545228992.db2.gz IWQCEKOAPNYWKP-UHFFFAOYSA-N 1 2 286.397 0.136 20 30 CCEDLO COCC#CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000670105591 545228993 /nfs/dbraw/zinc/22/89/93/545228993.db2.gz IWQCEKOAPNYWKP-UHFFFAOYSA-N 1 2 286.397 0.136 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102180134 528849681 /nfs/dbraw/zinc/84/96/81/528849681.db2.gz AGLKGDRDCKAHPZ-CQSZACIVSA-N 1 2 295.387 0.127 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000102180134 528849686 /nfs/dbraw/zinc/84/96/86/528849686.db2.gz AGLKGDRDCKAHPZ-CQSZACIVSA-N 1 2 295.387 0.127 20 30 CCEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000347990146 529257524 /nfs/dbraw/zinc/25/75/24/529257524.db2.gz ANYKEQWFOGNKLH-AAEUAGOBSA-N 1 2 283.372 0.926 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000451251572 529293504 /nfs/dbraw/zinc/29/35/04/529293504.db2.gz ZEULIOWEGXFRHP-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)CCO1 ZINC000451251572 529293506 /nfs/dbraw/zinc/29/35/06/529293506.db2.gz ZEULIOWEGXFRHP-ZDUSSCGKSA-N 1 2 290.367 0.737 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000677047028 545357097 /nfs/dbraw/zinc/35/70/97/545357097.db2.gz PFWJKVNVZLNUMW-CYBMUJFWSA-N 1 2 263.385 0.685 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000677047028 545357098 /nfs/dbraw/zinc/35/70/98/545357098.db2.gz PFWJKVNVZLNUMW-CYBMUJFWSA-N 1 2 263.385 0.685 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(CC#CCOC)CC1 ZINC000677132521 545358196 /nfs/dbraw/zinc/35/81/96/545358196.db2.gz CCNVPTYWUJFGBH-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CC#CCOC)CC1 ZINC000677132521 545358197 /nfs/dbraw/zinc/35/81/97/545358197.db2.gz CCNVPTYWUJFGBH-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO COCC#CC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000677818722 545373300 /nfs/dbraw/zinc/37/33/00/545373300.db2.gz UYTMQKBWXJKVLW-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO COCC#CC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000677818722 545373301 /nfs/dbraw/zinc/37/33/01/545373301.db2.gz UYTMQKBWXJKVLW-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000678798021 545397767 /nfs/dbraw/zinc/39/77/67/545397767.db2.gz VCADCZNGOPOKMO-UHFFFAOYSA-N 1 2 263.316 0.993 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000679124314 545402304 /nfs/dbraw/zinc/40/23/04/545402304.db2.gz XBVJOKVICPQQIJ-UONOGXRCSA-N 1 2 284.425 0.593 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000679124313 545402484 /nfs/dbraw/zinc/40/24/84/545402484.db2.gz XBVJOKVICPQQIJ-KGLIPLIRSA-N 1 2 284.425 0.593 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000680993162 545439673 /nfs/dbraw/zinc/43/96/73/545439673.db2.gz ZUMLSHZLPYFUFB-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO CC(C[NH+]1CCCCCC1)=NNCCS(C)(=O)=O ZINC000777436781 581115224 /nfs/dbraw/zinc/11/52/24/581115224.db2.gz JFPRRWGGIFOQLI-UHFFFAOYSA-N 1 2 275.418 0.873 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)N1 ZINC000779791747 581205149 /nfs/dbraw/zinc/20/51/49/581205149.db2.gz LEPPUCNAPGKEEY-LURJTMIESA-N 1 2 288.267 0.188 20 30 CCEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)CCO)c1 ZINC000780127967 581220658 /nfs/dbraw/zinc/22/06/58/581220658.db2.gz RAXHNGAAUPVRSL-UHFFFAOYSA-N 1 2 276.296 0.055 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780931860 581250049 /nfs/dbraw/zinc/25/00/49/581250049.db2.gz GLSNMAGMNPROOR-ZDUSSCGKSA-N 1 2 270.292 0.973 20 30 CCEDLO CC(C)CCNC(=S)N[NH+]=Cc1cnc(N)nc1 ZINC000781587045 581272378 /nfs/dbraw/zinc/27/23/78/581272378.db2.gz NMJISMAJOARCBO-UHFFFAOYSA-N 1 2 266.374 0.903 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC000793494019 581301174 /nfs/dbraw/zinc/30/11/74/581301174.db2.gz RKKHHMKCNATPCZ-STQMWFEESA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCOCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000784541328 581387457 /nfs/dbraw/zinc/38/74/57/581387457.db2.gz UDLTTZBTTUNALM-LBPRGKRZSA-N 1 2 276.340 0.569 20 30 CCEDLO C#CCOCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000784602419 581390703 /nfs/dbraw/zinc/39/07/03/581390703.db2.gz ZRMYKOJCNHFLSD-UHFFFAOYSA-N 1 2 257.293 0.643 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(C#N)CCC1 ZINC000784919854 581398999 /nfs/dbraw/zinc/39/89/99/581398999.db2.gz AYEPQAGDDAHFGZ-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC(C)(C)C ZINC000795331032 581404077 /nfs/dbraw/zinc/40/40/77/581404077.db2.gz QCCCRVPUJUERTB-VIFPVBQESA-N 1 2 265.317 0.470 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000785408141 581408390 /nfs/dbraw/zinc/40/83/90/581408390.db2.gz BYPAGMUBGNLASS-CQSZACIVSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000785408141 581408392 /nfs/dbraw/zinc/40/83/92/581408392.db2.gz BYPAGMUBGNLASS-CQSZACIVSA-N 1 2 267.373 0.608 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796607615 581446237 /nfs/dbraw/zinc/44/62/37/581446237.db2.gz VKFFXNJQKQDQHS-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796607615 581446240 /nfs/dbraw/zinc/44/62/40/581446240.db2.gz VKFFXNJQKQDQHS-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000797443457 581466821 /nfs/dbraw/zinc/46/68/21/581466821.db2.gz XQHIETRLYQAWQX-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000797443457 581466823 /nfs/dbraw/zinc/46/68/23/581466823.db2.gz XQHIETRLYQAWQX-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)CC1 ZINC000787352300 581468851 /nfs/dbraw/zinc/46/88/51/581468851.db2.gz ZXJKLXCVKHCUTN-LBPRGKRZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000753902691 581564136 /nfs/dbraw/zinc/56/41/36/581564136.db2.gz HDWYZYUGCCBLCA-NSHDSACASA-N 1 2 297.318 0.734 20 30 CCEDLO COC[C@H]([NH2+]CC(=O)NCCC#N)c1ccco1 ZINC000754339572 581587093 /nfs/dbraw/zinc/58/70/93/581587093.db2.gz WUIRJAYXQWLZKH-JTQLQIEISA-N 1 2 251.286 0.587 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000735054574 581614511 /nfs/dbraw/zinc/61/45/11/581614511.db2.gz UMKDSJZKNQBJDX-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000758192289 581696527 /nfs/dbraw/zinc/69/65/27/581696527.db2.gz MTAHFIRVIXBJHW-UHFFFAOYSA-N 1 2 278.381 0.608 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC(OCC)C1 ZINC000769705556 581703203 /nfs/dbraw/zinc/70/32/03/581703203.db2.gz MRWPOILXQPLFPC-OWYJLGKBSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC(OCC)C1 ZINC000769705556 581703204 /nfs/dbraw/zinc/70/32/04/581703204.db2.gz MRWPOILXQPLFPC-OWYJLGKBSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000769943281 581715844 /nfs/dbraw/zinc/71/58/44/581715844.db2.gz MZVTWWFFIZHDFG-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000769943281 581715847 /nfs/dbraw/zinc/71/58/47/581715847.db2.gz MZVTWWFFIZHDFG-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741144734 581733332 /nfs/dbraw/zinc/73/33/32/581733332.db2.gz AUJMHSDVTOJQLP-SNVBAGLBSA-N 1 2 283.328 0.026 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741144734 581733335 /nfs/dbraw/zinc/73/33/35/581733335.db2.gz AUJMHSDVTOJQLP-SNVBAGLBSA-N 1 2 283.328 0.026 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741148937 581734022 /nfs/dbraw/zinc/73/40/22/581734022.db2.gz UKHVNOXZSJEARL-LLVKDONJSA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741148937 581734024 /nfs/dbraw/zinc/73/40/24/581734024.db2.gz UKHVNOXZSJEARL-LLVKDONJSA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000741872066 581765649 /nfs/dbraw/zinc/76/56/49/581765649.db2.gz IKONQXPGKAZDRY-NSHDSACASA-N 1 2 255.387 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000758821401 581770718 /nfs/dbraw/zinc/77/07/18/581770718.db2.gz MVYBFVQTJAJWHL-UHFFFAOYSA-N 1 2 298.184 0.969 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000758821401 581770720 /nfs/dbraw/zinc/77/07/20/581770720.db2.gz MVYBFVQTJAJWHL-UHFFFAOYSA-N 1 2 298.184 0.969 20 30 CCEDLO NC(=O)CN[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000758888200 581773705 /nfs/dbraw/zinc/77/37/05/581773705.db2.gz JJLPSQOHJVNRNO-UHFFFAOYSA-N 1 2 287.776 0.806 20 30 CCEDLO CC/N=C1/NC(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000743276908 581806197 /nfs/dbraw/zinc/80/61/97/581806197.db2.gz CTFYOKMEQWGTOM-SECBINFHSA-N 1 2 286.401 0.052 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1 ZINC000759622304 581812064 /nfs/dbraw/zinc/81/20/64/581812064.db2.gz NFXAYUSHQJGGLR-UHFFFAOYSA-N 1 2 295.346 0.658 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC000744364672 581840064 /nfs/dbraw/zinc/84/00/64/581840064.db2.gz YRGKBTKDQIDEAG-UHFFFAOYSA-N 1 2 259.309 0.101 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000744422314 581841678 /nfs/dbraw/zinc/84/16/78/581841678.db2.gz LYXSCZOULLMGDC-ZDUSSCGKSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000744422221 581841911 /nfs/dbraw/zinc/84/19/11/581841911.db2.gz BODZYUWCSMSYOJ-UHFFFAOYSA-N 1 2 284.359 0.941 20 30 CCEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1CCCO1 ZINC000772259273 581849209 /nfs/dbraw/zinc/84/92/09/581849209.db2.gz SIOSIHLXWSADMM-MNOVXSKESA-N 1 2 257.297 0.956 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000760330680 581855566 /nfs/dbraw/zinc/85/55/66/581855566.db2.gz CLMKITGUFYSQPM-KBPBESRZSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745080437 581863694 /nfs/dbraw/zinc/86/36/94/581863694.db2.gz ARQUTWFPDNAVQU-MNOVXSKESA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745080437 581863698 /nfs/dbraw/zinc/86/36/98/581863698.db2.gz ARQUTWFPDNAVQU-MNOVXSKESA-N 1 2 297.355 0.414 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000760958740 581881205 /nfs/dbraw/zinc/88/12/05/581881205.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000760958740 581881206 /nfs/dbraw/zinc/88/12/06/581881206.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760958740 581881209 /nfs/dbraw/zinc/88/12/09/581881209.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760958740 581881210 /nfs/dbraw/zinc/88/12/10/581881210.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760958740 581881212 /nfs/dbraw/zinc/88/12/12/581881212.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760958740 581881214 /nfs/dbraw/zinc/88/12/14/581881214.db2.gz ARUHBAICFAEHGO-NSHDSACASA-N 1 2 261.329 0.042 20 30 CCEDLO C#CCNC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746460829 581914614 /nfs/dbraw/zinc/91/46/14/581914614.db2.gz PKCQIYFBGRFHHU-UHFFFAOYSA-N 1 2 294.424 0.235 20 30 CCEDLO CON=CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000773809207 581942980 /nfs/dbraw/zinc/94/29/80/581942980.db2.gz XYLVYRTWKALDDG-UHFFFAOYSA-N 1 2 262.313 0.799 20 30 CCEDLO C=CCCO[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747693251 581949672 /nfs/dbraw/zinc/94/96/72/581949672.db2.gz MDHMAEFOBLMGLR-GFCCVEGCSA-N 1 2 257.330 0.843 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)CCO)CC1 ZINC000750003057 582030374 /nfs/dbraw/zinc/03/03/74/582030374.db2.gz RCMUCSLAMZXNJF-GFCCVEGCSA-N 1 2 270.398 0.268 20 30 CCEDLO C#CCNS(=O)(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000776595138 582083985 /nfs/dbraw/zinc/08/39/85/582083985.db2.gz FDGQMVKGNLRUPJ-UHFFFAOYSA-N 1 2 298.412 0.011 20 30 CCEDLO N#Cc1nc(N)n(Cc2ccc(-n3cc[nH+]c3)nc2)c1C#N ZINC000776843389 582091719 /nfs/dbraw/zinc/09/17/19/582091719.db2.gz YJKGSRSERNLUEC-UHFFFAOYSA-N 1 2 290.290 0.838 20 30 CCEDLO C#CC1(F)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000919956428 612946983 /nfs/dbraw/zinc/94/69/83/612946983.db2.gz OKIFOFFPUKAMQR-UHFFFAOYSA-N 1 2 261.300 0.946 20 30 CCEDLO C#CCSCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000891607205 613011315 /nfs/dbraw/zinc/01/13/15/613011315.db2.gz SIMLQGCYJJCSLN-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931953693 612947997 /nfs/dbraw/zinc/94/79/97/612947997.db2.gz RAKUEDPUMSELHA-MWLCHTKSSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931953693 612947999 /nfs/dbraw/zinc/94/79/99/612947999.db2.gz RAKUEDPUMSELHA-MWLCHTKSSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCSCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000896187865 613013658 /nfs/dbraw/zinc/01/36/58/613013658.db2.gz UGDXDYAVOYNUTQ-NEPJUHHUSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000899120362 612950448 /nfs/dbraw/zinc/95/04/48/612950448.db2.gz XRIKZPKLOKLHCI-UHFFFAOYSA-N 1 2 280.368 0.084 20 30 CCEDLO N#CCNC1CC2(C1)CC(NC(=O)Cn1cc[nH+]c1)C2 ZINC000965950727 649943560 /nfs/dbraw/zinc/94/35/60/649943560.db2.gz QEZWOUHIGYCHIY-UHFFFAOYSA-N 1 2 273.340 0.424 20 30 CCEDLO C#CC[C@@H]([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OC ZINC000839169668 613042719 /nfs/dbraw/zinc/04/27/19/613042719.db2.gz UWSNTNZLANKARG-HTAVTVPLSA-N 1 2 267.325 0.873 20 30 CCEDLO C#CC[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000885470415 613047203 /nfs/dbraw/zinc/04/72/03/613047203.db2.gz FXAXTNYJWJQEFE-GFCCVEGCSA-N 1 2 267.354 0.558 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000877583984 613071304 /nfs/dbraw/zinc/07/13/04/613071304.db2.gz WFUMCSWVHDDFKS-TUAOUCFPSA-N 1 2 266.341 0.588 20 30 CCEDLO C=CC(C)(C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000908462876 613449348 /nfs/dbraw/zinc/44/93/48/613449348.db2.gz ZUZGUTOCVVGWGT-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000854424062 614326826 /nfs/dbraw/zinc/32/68/26/614326826.db2.gz NQRZJJXSIOFULZ-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO COc1ccc(C(N)=[NH+]OC[C@H]2COCCO2)cc1 ZINC000853655063 617237038 /nfs/dbraw/zinc/23/70/38/617237038.db2.gz RRFKUSYHYVJINO-GFCCVEGCSA-N 1 2 266.297 0.748 20 30 CCEDLO COc1ccc2c(c1F)NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000834969170 617286867 /nfs/dbraw/zinc/28/68/67/617286867.db2.gz FTDLMMSLXKPWEL-LURJTMIESA-N 1 2 291.286 0.428 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941505918 617289069 /nfs/dbraw/zinc/28/90/69/617289069.db2.gz PQFLEAWRWNEAHX-LBPRGKRZSA-N 1 2 289.339 0.104 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462209 612965320 /nfs/dbraw/zinc/96/53/20/612965320.db2.gz FLFIXFKMAXECGN-ZDUSSCGKSA-N 1 2 274.368 0.943 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000880481928 612974107 /nfs/dbraw/zinc/97/41/07/612974107.db2.gz SOENAZREZROTHE-GFCCVEGCSA-N 1 2 288.351 0.654 20 30 CCEDLO C#CCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852153231 612981454 /nfs/dbraw/zinc/98/14/54/612981454.db2.gz CVIMJIGQLWDZCL-CYBMUJFWSA-N 1 2 265.357 0.516 20 30 CCEDLO C#CCOCC[NH+]1CCN(c2ncns2)CC1 ZINC000852127210 612983829 /nfs/dbraw/zinc/98/38/29/612983829.db2.gz OSCMDILNPWYCGG-UHFFFAOYSA-N 1 2 252.343 0.310 20 30 CCEDLO C#CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805280042 612986644 /nfs/dbraw/zinc/98/66/44/612986644.db2.gz XLHLQSZJKIEGPI-UONOGXRCSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877640859 612989216 /nfs/dbraw/zinc/98/92/16/612989216.db2.gz GPUXFWAVUSUHFK-HNNXBMFYSA-N 1 2 292.383 0.929 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877640859 612989218 /nfs/dbraw/zinc/98/92/18/612989218.db2.gz GPUXFWAVUSUHFK-HNNXBMFYSA-N 1 2 292.383 0.929 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccn3ccnc23)C1 ZINC000951776280 612993364 /nfs/dbraw/zinc/99/33/64/612993364.db2.gz CUFMCPBUHLSFRW-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCSCC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000901316953 613010383 /nfs/dbraw/zinc/01/03/83/613010383.db2.gz DJGIMEDXFQSOSF-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000901316953 613010385 /nfs/dbraw/zinc/01/03/85/613010385.db2.gz DJGIMEDXFQSOSF-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898507920 613014004 /nfs/dbraw/zinc/01/40/04/613014004.db2.gz UBEDQAXTUYVJCD-NSHDSACASA-N 1 2 258.362 0.903 20 30 CCEDLO C#CCSCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898507920 613014006 /nfs/dbraw/zinc/01/40/06/613014006.db2.gz UBEDQAXTUYVJCD-NSHDSACASA-N 1 2 258.362 0.903 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000863782544 613022250 /nfs/dbraw/zinc/02/22/50/613022250.db2.gz VOYKIIPQEPLTDK-STQMWFEESA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)OC ZINC000837949090 613040982 /nfs/dbraw/zinc/04/09/82/613040982.db2.gz AMEJBFBSMGNQIE-WDEREUQCSA-N 1 2 284.381 0.105 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846067572 613056154 /nfs/dbraw/zinc/05/61/54/613056154.db2.gz UCKWMRYLIPQZDO-CYBMUJFWSA-N 1 2 275.352 0.652 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000972645089 613088796 /nfs/dbraw/zinc/08/87/96/613088796.db2.gz ONVWKTWWSSMJEQ-LBPRGKRZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000972645089 613088797 /nfs/dbraw/zinc/08/87/97/613088797.db2.gz ONVWKTWWSSMJEQ-LBPRGKRZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCOCC1 ZINC000856101507 613098467 /nfs/dbraw/zinc/09/84/67/613098467.db2.gz UZXUPZDSXUOSHM-UONOGXRCSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CCN(CC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846067575 613100829 /nfs/dbraw/zinc/10/08/29/613100829.db2.gz UFUMUQVXZKZTDN-UHFFFAOYSA-N 1 2 256.309 0.747 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCO[C@@](C)(C3CC3)C2)C1=O ZINC000849180401 613109579 /nfs/dbraw/zinc/10/95/79/613109579.db2.gz IUZRFMRRIHIPHG-IUODEOHRSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCO[C@@](C)(C3CC3)C2)C1=O ZINC000849180401 613109581 /nfs/dbraw/zinc/10/95/81/613109581.db2.gz IUZRFMRRIHIPHG-IUODEOHRSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C3CCC3)CC2)C1 ZINC000941455661 613115780 /nfs/dbraw/zinc/11/57/80/613115780.db2.gz YUMTVPPXTJNWIP-CQSZACIVSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(C)c3)CC2)C1 ZINC000941391207 613116235 /nfs/dbraw/zinc/11/62/35/613116235.db2.gz PBLFGBDERDXHLN-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875594342 613120714 /nfs/dbraw/zinc/12/07/14/613120714.db2.gz OSKVTBBODVYULH-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875594342 613120716 /nfs/dbraw/zinc/12/07/16/613120716.db2.gz OSKVTBBODVYULH-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000982095590 613150370 /nfs/dbraw/zinc/15/03/70/613150370.db2.gz ASZQAUHIUHCPPW-AWEZNQCLSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000982095590 613150373 /nfs/dbraw/zinc/15/03/73/613150373.db2.gz ASZQAUHIUHCPPW-AWEZNQCLSA-N 1 2 291.395 0.412 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000847305206 613156977 /nfs/dbraw/zinc/15/69/77/613156977.db2.gz IFIJFEGBMOOULQ-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000847305206 613156978 /nfs/dbraw/zinc/15/69/78/613156978.db2.gz IFIJFEGBMOOULQ-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(=O)c(OC)co2)CC1 ZINC000981618891 613157320 /nfs/dbraw/zinc/15/73/20/613157320.db2.gz JOUBUOLMDAOWPW-UHFFFAOYSA-N 1 2 290.319 0.430 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(=O)c(OC)co2)CC1 ZINC000981618891 613157321 /nfs/dbraw/zinc/15/73/21/613157321.db2.gz JOUBUOLMDAOWPW-UHFFFAOYSA-N 1 2 290.319 0.430 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000885514197 613176205 /nfs/dbraw/zinc/17/62/05/613176205.db2.gz SGMIRKCXBYXLPM-GFCCVEGCSA-N 1 2 271.386 0.014 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000885514197 613176207 /nfs/dbraw/zinc/17/62/07/613176207.db2.gz SGMIRKCXBYXLPM-GFCCVEGCSA-N 1 2 271.386 0.014 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C=O)[nH]c2C)C1 ZINC000923562566 613191020 /nfs/dbraw/zinc/19/10/20/613191020.db2.gz ZSIGPESQHVEUHD-LBPRGKRZSA-N 1 2 273.336 0.963 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C=O)[nH]c2C)C1 ZINC000923562566 613191023 /nfs/dbraw/zinc/19/10/23/613191023.db2.gz ZSIGPESQHVEUHD-LBPRGKRZSA-N 1 2 273.336 0.963 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000885512165 613193335 /nfs/dbraw/zinc/19/33/35/613193335.db2.gz SMXVSYIJGIHTCW-OLZOCXBDSA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000885512165 613193337 /nfs/dbraw/zinc/19/33/37/613193337.db2.gz SMXVSYIJGIHTCW-OLZOCXBDSA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000843943649 613201385 /nfs/dbraw/zinc/20/13/85/613201385.db2.gz ZJIWLQWFSCJNRN-OLZOCXBDSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000843943649 613201386 /nfs/dbraw/zinc/20/13/86/613201386.db2.gz ZJIWLQWFSCJNRN-OLZOCXBDSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000863839505 613201567 /nfs/dbraw/zinc/20/15/67/613201567.db2.gz OECWKDYBTXDMMN-KGLIPLIRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000863839505 613201568 /nfs/dbraw/zinc/20/15/68/613201568.db2.gz OECWKDYBTXDMMN-KGLIPLIRSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888838063 613202159 /nfs/dbraw/zinc/20/21/59/613202159.db2.gz JAASBBJTOJIYGU-QUGYJXMDSA-N 1 2 260.337 0.376 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888838063 613202162 /nfs/dbraw/zinc/20/21/62/613202162.db2.gz JAASBBJTOJIYGU-QUGYJXMDSA-N 1 2 260.337 0.376 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)[C@@H](C)O)c1 ZINC000929290313 613203740 /nfs/dbraw/zinc/20/37/40/613203740.db2.gz QKDMMZRMOLCYKD-BXUZGUMPSA-N 1 2 276.336 0.280 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)[C@@H](C)O)c1 ZINC000929290313 613203741 /nfs/dbraw/zinc/20/37/41/613203741.db2.gz QKDMMZRMOLCYKD-BXUZGUMPSA-N 1 2 276.336 0.280 20 30 CCEDLO C#CC[NH+]1CCN(c2ccnc(C(=O)OCC)n2)CC1 ZINC000853131389 613209780 /nfs/dbraw/zinc/20/97/80/613209780.db2.gz GTXLRWPKLBQSJH-UHFFFAOYSA-N 1 2 274.324 0.409 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972281708 613210956 /nfs/dbraw/zinc/21/09/56/613210956.db2.gz KMKVEFFTWHURBJ-LBPRGKRZSA-N 1 2 290.285 0.875 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972281708 613210957 /nfs/dbraw/zinc/21/09/57/613210957.db2.gz KMKVEFFTWHURBJ-LBPRGKRZSA-N 1 2 290.285 0.875 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218479 613211947 /nfs/dbraw/zinc/21/19/47/613211947.db2.gz KVNQMWYPEBNEKB-CQSZACIVSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218479 613211949 /nfs/dbraw/zinc/21/19/49/613211949.db2.gz KVNQMWYPEBNEKB-CQSZACIVSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972271118 613212321 /nfs/dbraw/zinc/21/23/21/613212321.db2.gz GBNLFPDWZATNBC-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972271118 613212322 /nfs/dbraw/zinc/21/23/22/613212322.db2.gz GBNLFPDWZATNBC-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(F)F)C2)C1 ZINC000972430692 613213022 /nfs/dbraw/zinc/21/30/22/613213022.db2.gz JGBWRGFAALYXOK-TZMCWYRMSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(F)F)C2)C1 ZINC000972430692 613213027 /nfs/dbraw/zinc/21/30/27/613213027.db2.gz JGBWRGFAALYXOK-TZMCWYRMSA-N 1 2 298.333 0.968 20 30 CCEDLO C/C(=C/C(=O)N1CCSC[C@H]1C#N)C[NH+]1CCOCC1 ZINC000901323178 613231482 /nfs/dbraw/zinc/23/14/82/613231482.db2.gz UZDIAXIVIPLHSE-LLBKUYECSA-N 1 2 295.408 0.732 20 30 CCEDLO C/C(=C/C(=O)Nc1n[nH]c(C)c1C#N)C[NH+]1CCOCC1 ZINC000912833036 613240657 /nfs/dbraw/zinc/24/06/57/613240657.db2.gz CVAKRANJRYARSA-YFHOEESVSA-N 1 2 289.339 0.807 20 30 CCEDLO C/C(=C\C(=O)N1CCOC[C@@H]1C#N)C[NH+]1CCOCC1 ZINC000900848485 613250380 /nfs/dbraw/zinc/25/03/80/613250380.db2.gz UDDIOCXRUMLFTE-RPHSKFLZSA-N 1 2 279.340 0.016 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933973593 613292892 /nfs/dbraw/zinc/29/28/92/613292892.db2.gz HWMPOOXCXDNBIQ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933973593 613292894 /nfs/dbraw/zinc/29/28/94/613292894.db2.gz HWMPOOXCXDNBIQ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2COCCN2CC)C1 ZINC000950680446 613295113 /nfs/dbraw/zinc/29/51/13/613295113.db2.gz ALNZMQVJSFQFDJ-HNNXBMFYSA-N 1 2 295.427 0.816 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000957040911 613295938 /nfs/dbraw/zinc/29/59/38/613295938.db2.gz LLTSOQZMIRQVFH-UHFFFAOYSA-N 1 2 290.367 0.836 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000860048734 613330699 /nfs/dbraw/zinc/33/06/99/613330699.db2.gz BYNVAFZNBFWINQ-CQSZACIVSA-N 1 2 286.331 0.508 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000860048734 613330701 /nfs/dbraw/zinc/33/07/01/613330701.db2.gz BYNVAFZNBFWINQ-CQSZACIVSA-N 1 2 286.331 0.508 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977179 613356438 /nfs/dbraw/zinc/35/64/38/613356438.db2.gz SUUGNXSGLVUBDR-VXGBXAGGSA-N 1 2 276.340 0.915 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882902051 613358125 /nfs/dbraw/zinc/35/81/25/613358125.db2.gz XLFNTRQRDXOISY-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000883399502 613358377 /nfs/dbraw/zinc/35/83/77/613358377.db2.gz OVOVRNZGXYJBJC-SNVBAGLBSA-N 1 2 253.350 0.845 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000969790353 613372163 /nfs/dbraw/zinc/37/21/63/613372163.db2.gz WCUDWALFUMVHQE-QWRGUYRKSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969596923 613372578 /nfs/dbraw/zinc/37/25/78/613372578.db2.gz WLQIIOXVUGBDRA-VIFPVBQESA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982190316 613373300 /nfs/dbraw/zinc/37/33/00/613373300.db2.gz LHIUUODEWADTKD-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000982190316 613373301 /nfs/dbraw/zinc/37/33/01/613373301.db2.gz LHIUUODEWADTKD-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000966130331 613375562 /nfs/dbraw/zinc/37/55/62/613375562.db2.gz GMCYAPGDRFNZSZ-KOLCDFICSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000966130331 613375563 /nfs/dbraw/zinc/37/55/63/613375563.db2.gz GMCYAPGDRFNZSZ-KOLCDFICSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944047989 613376464 /nfs/dbraw/zinc/37/64/64/613376464.db2.gz WOUQXCWUUFTFNU-GXSJLCMTSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944047989 613376465 /nfs/dbraw/zinc/37/64/65/613376465.db2.gz WOUQXCWUUFTFNU-GXSJLCMTSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C(C)(C)C1 ZINC000972862747 613379829 /nfs/dbraw/zinc/37/98/29/613379829.db2.gz MJQKKIUZZZANJB-GHMZBOCLSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C(C)(C)C1 ZINC000972862747 613379830 /nfs/dbraw/zinc/37/98/30/613379830.db2.gz MJQKKIUZZZANJB-GHMZBOCLSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000878537309 613396730 /nfs/dbraw/zinc/39/67/30/613396730.db2.gz CLFSQZZGEXIUIN-NSHDSACASA-N 1 2 280.328 0.738 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCN1CCCC1=O ZINC000878102525 613409799 /nfs/dbraw/zinc/40/97/99/613409799.db2.gz ULTFIMPZGRQIFC-LLVKDONJSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCN1CCCC1=O ZINC000878102525 613409800 /nfs/dbraw/zinc/40/98/00/613409800.db2.gz ULTFIMPZGRQIFC-LLVKDONJSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)C(=O)OC ZINC000905776485 613419366 /nfs/dbraw/zinc/41/93/66/613419366.db2.gz BMCDHSGVMNPANF-NSHDSACASA-N 1 2 289.397 0.909 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2C)nn1 ZINC000968404115 613430652 /nfs/dbraw/zinc/43/06/52/613430652.db2.gz CFPQOPCYJYCBMH-NWDGAFQWSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2C)nn1 ZINC000968404115 613430653 /nfs/dbraw/zinc/43/06/53/613430653.db2.gz CFPQOPCYJYCBMH-NWDGAFQWSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969842589 613437688 /nfs/dbraw/zinc/43/76/88/613437688.db2.gz QUZUNILJELFWIL-NSHDSACASA-N 1 2 290.367 0.210 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000800337768 613482193 /nfs/dbraw/zinc/48/21/93/613482193.db2.gz NPRHXNUUOLBLFC-WDEREUQCSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000800337768 613482194 /nfs/dbraw/zinc/48/21/94/613482194.db2.gz NPRHXNUUOLBLFC-WDEREUQCSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000845620595 613484886 /nfs/dbraw/zinc/48/48/86/613484886.db2.gz SMNKXEMACBHVGG-STQMWFEESA-N 1 2 283.372 0.999 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000895578133 613486731 /nfs/dbraw/zinc/48/67/31/613486731.db2.gz FTEFMXHNVYIOLL-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000895578133 613486733 /nfs/dbraw/zinc/48/67/33/613486733.db2.gz FTEFMXHNVYIOLL-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000845636286 613487395 /nfs/dbraw/zinc/48/73/95/613487395.db2.gz NEGADJUYXLUQCC-SDDRHHMPSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](NCC[N@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000871937295 613493079 /nfs/dbraw/zinc/49/30/79/613493079.db2.gz CHLCZVOTDKEGOG-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000871937295 613493083 /nfs/dbraw/zinc/49/30/83/613493083.db2.gz CHLCZVOTDKEGOG-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)OC)CC2)C1 ZINC000941339572 613529712 /nfs/dbraw/zinc/52/97/12/613529712.db2.gz WQZCRWQLJKKPDU-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000941285268 613529746 /nfs/dbraw/zinc/52/97/46/613529746.db2.gz MMYGAEBOXINCRD-UHFFFAOYSA-N 1 2 298.390 0.547 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)ccc2=O)C1 ZINC000970125770 613534033 /nfs/dbraw/zinc/53/40/33/613534033.db2.gz UOSMNZHJXFUEEN-GFCCVEGCSA-N 1 2 287.363 0.459 20 30 CCEDLO CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956595936 613534766 /nfs/dbraw/zinc/53/47/66/613534766.db2.gz SPJBWFCFIPFSPG-HNNXBMFYSA-N 1 2 289.379 0.165 20 30 CCEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC000982110361 613542240 /nfs/dbraw/zinc/54/22/40/613542240.db2.gz NEMQFTJOVJDGEE-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC000982110361 613542243 /nfs/dbraw/zinc/54/22/43/613542243.db2.gz NEMQFTJOVJDGEE-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cnn(C)c2C)CC1 ZINC000948693466 613563844 /nfs/dbraw/zinc/56/38/44/613563844.db2.gz ICUSQQBVFJXKNC-UHFFFAOYSA-N 1 2 274.368 0.439 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972297110 613571221 /nfs/dbraw/zinc/57/12/21/613571221.db2.gz GOGWGDAWUADIDQ-UKRRQHHQSA-N 1 2 275.352 0.473 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972297110 613571222 /nfs/dbraw/zinc/57/12/22/613571222.db2.gz GOGWGDAWUADIDQ-UKRRQHHQSA-N 1 2 275.352 0.473 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043355 613571666 /nfs/dbraw/zinc/57/16/66/613571666.db2.gz CKZAPQWOYHQHLJ-YPMHNXCESA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043355 613571668 /nfs/dbraw/zinc/57/16/68/613571668.db2.gz CKZAPQWOYHQHLJ-YPMHNXCESA-N 1 2 289.383 0.506 20 30 CCEDLO C=CCCOCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921659827 613575195 /nfs/dbraw/zinc/57/51/95/613575195.db2.gz JLOUFUNSSJKGMZ-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000842240121 613588004 /nfs/dbraw/zinc/58/80/04/613588004.db2.gz NOZIPFFSUKSNTG-WOPDTQHZSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000842240121 613588006 /nfs/dbraw/zinc/58/80/06/613588006.db2.gz NOZIPFFSUKSNTG-WOPDTQHZSA-N 1 2 281.356 0.592 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cnn(CC)n2)nn1 ZINC000881372913 613645134 /nfs/dbraw/zinc/64/51/34/613645134.db2.gz KHIMJPHASQGEOP-UHFFFAOYSA-N 1 2 259.317 0.051 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911607409 613648271 /nfs/dbraw/zinc/64/82/71/613648271.db2.gz UOGIKZMKWWWPQW-ZVHGMHCTSA-N 1 2 280.368 0.155 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894365895 613652903 /nfs/dbraw/zinc/65/29/03/613652903.db2.gz GXUGCFONGVRYFF-VXGBXAGGSA-N 1 2 278.356 0.846 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894365895 613652904 /nfs/dbraw/zinc/65/29/04/613652904.db2.gz GXUGCFONGVRYFF-VXGBXAGGSA-N 1 2 278.356 0.846 20 30 CCEDLO CC(=[NH+]N[C@@H]1CCS(=O)(=O)C1)c1csc(N)n1 ZINC000812368870 613656689 /nfs/dbraw/zinc/65/66/89/613656689.db2.gz CFBRLTJAFOMMGM-SSDOTTSWSA-N 1 2 274.371 0.226 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cn(CC)nn2)CC1 ZINC000949413725 613709988 /nfs/dbraw/zinc/70/99/88/613709988.db2.gz JNRZFGMRUYJDEX-UHFFFAOYSA-N 1 2 263.345 0.171 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000957106833 613711626 /nfs/dbraw/zinc/71/16/26/613711626.db2.gz DGJRLZFWPUAXBP-JSGCOSHPSA-N 1 2 250.342 0.743 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC000957701282 613712393 /nfs/dbraw/zinc/71/23/93/613712393.db2.gz RRJCLLVDRTUJEH-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COCCN2CC)CC1 ZINC000949002433 613713373 /nfs/dbraw/zinc/71/33/73/613713373.db2.gz WWZNXKZZYNHLLV-CYBMUJFWSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000957479587 613716826 /nfs/dbraw/zinc/71/68/26/613716826.db2.gz FWUQQZQVBNMBRA-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000949066361 613718601 /nfs/dbraw/zinc/71/86/01/613718601.db2.gz DENHEWFHGVKWAB-UHFFFAOYSA-N 1 2 260.341 0.842 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3C)C2)C1 ZINC000972379894 613724151 /nfs/dbraw/zinc/72/41/51/613724151.db2.gz BHXIZMBUOWWNQZ-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3C)C2)C1 ZINC000972379894 613724152 /nfs/dbraw/zinc/72/41/52/613724152.db2.gz BHXIZMBUOWWNQZ-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000975009334 613811828 /nfs/dbraw/zinc/81/18/28/613811828.db2.gz HNDJFAKLKPWGEG-LLVKDONJSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000975009334 613811829 /nfs/dbraw/zinc/81/18/29/613811829.db2.gz HNDJFAKLKPWGEG-LLVKDONJSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CC=C)C1 ZINC000884429790 613877871 /nfs/dbraw/zinc/87/78/71/613877871.db2.gz UBTBNURRMLXOLA-NEPJUHHUSA-N 1 2 266.341 0.858 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000884172778 613877921 /nfs/dbraw/zinc/87/79/21/613877921.db2.gz DLUYJSJBNOZCMY-DCAQKATOSA-N 1 2 254.330 0.832 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC(C)C ZINC000884077378 613878213 /nfs/dbraw/zinc/87/82/13/613878213.db2.gz JSZUGNFMLIDETO-NSHDSACASA-N 1 2 256.346 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCCC1 ZINC000884077653 613878223 /nfs/dbraw/zinc/87/82/23/613878223.db2.gz SYJUUJBCSYHYGG-NSHDSACASA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H]1OC ZINC000884308873 613878461 /nfs/dbraw/zinc/87/84/61/613878461.db2.gz GFPUILPHPAKKIP-GRYCIOLGSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000884321109 613878507 /nfs/dbraw/zinc/87/85/07/613878507.db2.gz GOTVCAZUNJTLEW-AGIUHOORSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000884379945 613878708 /nfs/dbraw/zinc/87/87/08/613878708.db2.gz OSWGDVAKIGVUKS-QJPTWQEYSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cn(C)nc1CC ZINC000884335196 613878867 /nfs/dbraw/zinc/87/88/67/613878867.db2.gz MWSICJYRDWPXNP-VIFPVBQESA-N 1 2 280.328 0.368 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CC(C)C)no1 ZINC000904077733 613878890 /nfs/dbraw/zinc/87/88/90/613878890.db2.gz FEKULAPUPXTTGL-VIFPVBQESA-N 1 2 253.302 0.867 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(CC)n(C)n1 ZINC000884347786 613878930 /nfs/dbraw/zinc/87/89/30/613878930.db2.gz FZWHTUFQXCROQH-JTQLQIEISA-N 1 2 280.328 0.368 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913468216 613879242 /nfs/dbraw/zinc/87/92/42/613879242.db2.gz JGFWRHGCYYJIOB-LBPRGKRZSA-N 1 2 264.329 0.096 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875737321 613880075 /nfs/dbraw/zinc/88/00/75/613880075.db2.gz FSOAPXMSBMLYOX-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875737321 613880076 /nfs/dbraw/zinc/88/00/76/613880076.db2.gz FSOAPXMSBMLYOX-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000828100115 614187395 /nfs/dbraw/zinc/18/73/95/614187395.db2.gz ZMMUNGRINNFQGG-YVEFUNNKSA-N 1 2 257.403 0.531 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000837464439 614314782 /nfs/dbraw/zinc/31/47/82/614314782.db2.gz HLKYQJDBSYMHRK-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCOC)C1 ZINC000949913123 614706235 /nfs/dbraw/zinc/70/62/35/614706235.db2.gz RDRSQOCPJFODEF-UHFFFAOYSA-N 1 2 276.340 0.679 20 30 CCEDLO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](C#N)C2)C1=O ZINC000932159046 614803509 /nfs/dbraw/zinc/80/35/09/614803509.db2.gz STCYQNUUETWHFJ-LLVKDONJSA-N 1 2 278.356 0.942 20 30 CCEDLO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](C#N)C2)C1=O ZINC000932159046 614803514 /nfs/dbraw/zinc/80/35/14/614803514.db2.gz STCYQNUUETWHFJ-LLVKDONJSA-N 1 2 278.356 0.942 20 30 CCEDLO CCN1CC[N@H+](CCO[C@H](C)C#N)C(C)(C)C1=O ZINC000801945706 615159087 /nfs/dbraw/zinc/15/90/87/615159087.db2.gz JLDRJHHWHYJLKF-LLVKDONJSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN1CC[N@@H+](CCO[C@H](C)C#N)C(C)(C)C1=O ZINC000801945706 615159089 /nfs/dbraw/zinc/15/90/89/615159089.db2.gz JLDRJHHWHYJLKF-LLVKDONJSA-N 1 2 253.346 0.858 20 30 CCEDLO CCOC(=O)c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895161017 615182048 /nfs/dbraw/zinc/18/20/48/615182048.db2.gz CRAMJIZEHWGPGM-SNVBAGLBSA-N 1 2 282.296 0.926 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCOCCC#N)C1 ZINC000815215696 615185662 /nfs/dbraw/zinc/18/56/62/615185662.db2.gz UTDIEUKSEXMHCV-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCCOCCC#N)C1 ZINC000815215696 615185663 /nfs/dbraw/zinc/18/56/63/615185663.db2.gz UTDIEUKSEXMHCV-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO CCOC(=O)c1ncc(C[NH2+][C@H]2CCCN(O)C2=O)s1 ZINC000895194030 615195044 /nfs/dbraw/zinc/19/50/44/615195044.db2.gz ATBJKRKXLPIZOL-VIFPVBQESA-N 1 2 299.352 0.790 20 30 CCEDLO CCOC(=O)C[C@H](O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453598 615217665 /nfs/dbraw/zinc/21/76/65/615217665.db2.gz CKEWBYUMTRDVCS-NSHDSACASA-N 1 2 284.287 0.777 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867420352 615470328 /nfs/dbraw/zinc/47/03/28/615470328.db2.gz UMOIBFIJLMQAIM-PCAWENJQSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CC1 ZINC000928647094 615476819 /nfs/dbraw/zinc/47/68/19/615476819.db2.gz IIYKGVQIKYJGRY-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)cn1C ZINC000902940204 615718688 /nfs/dbraw/zinc/71/86/88/615718688.db2.gz MWXJLXUWEMKHHD-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000913521054 615860971 /nfs/dbraw/zinc/86/09/71/615860971.db2.gz JRYILJSOIHFGTA-UHFFFAOYSA-N 1 2 283.335 0.767 20 30 CCEDLO CC[C@H]1C[NH+](CC(=O)NCCC#N)C[C@H](CC)O1 ZINC000817280856 615912339 /nfs/dbraw/zinc/91/23/39/615912339.db2.gz MXKCCLRXKUZKCB-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000874711842 615928031 /nfs/dbraw/zinc/92/80/31/615928031.db2.gz NJMHFOCPRWIBTG-ZFWWWQNUSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000874711842 615928032 /nfs/dbraw/zinc/92/80/32/615928032.db2.gz NJMHFOCPRWIBTG-ZFWWWQNUSA-N 1 2 295.383 0.534 20 30 CCEDLO C[N@H+](CCS(C)(=O)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC000885983608 616119787 /nfs/dbraw/zinc/11/97/87/616119787.db2.gz KKCROWSUDRNOPR-NSHDSACASA-N 1 2 274.386 0.408 20 30 CCEDLO C[N@@H+](CCS(C)(=O)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC000885983608 616119788 /nfs/dbraw/zinc/11/97/88/616119788.db2.gz KKCROWSUDRNOPR-NSHDSACASA-N 1 2 274.386 0.408 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1CO ZINC000913555644 616220837 /nfs/dbraw/zinc/22/08/37/616220837.db2.gz JGBOPPLAPMQOSA-LLVKDONJSA-N 1 2 263.341 0.205 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1CO ZINC000913555644 616220838 /nfs/dbraw/zinc/22/08/38/616220838.db2.gz JGBOPPLAPMQOSA-LLVKDONJSA-N 1 2 263.341 0.205 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCSCC2)C[C@H]1CO ZINC000827983643 616221023 /nfs/dbraw/zinc/22/10/23/616221023.db2.gz PFFQLYKQMSKDCN-NSHDSACASA-N 1 2 283.397 0.158 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCSCC2)C[C@H]1CO ZINC000827983643 616221024 /nfs/dbraw/zinc/22/10/24/616221024.db2.gz PFFQLYKQMSKDCN-NSHDSACASA-N 1 2 283.397 0.158 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882474421 616260442 /nfs/dbraw/zinc/26/04/42/616260442.db2.gz JTVZEUCWMSXRNA-NSHDSACASA-N 1 2 260.297 0.417 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882474421 616260443 /nfs/dbraw/zinc/26/04/43/616260443.db2.gz JTVZEUCWMSXRNA-NSHDSACASA-N 1 2 260.297 0.417 20 30 CCEDLO COC(=O)c1oc(C[NH2+][C@@H]2CCCN(O)C2=O)cc1C ZINC000895157051 616280379 /nfs/dbraw/zinc/28/03/79/616280379.db2.gz LUUQFQXDDITCLB-SNVBAGLBSA-N 1 2 282.296 0.844 20 30 CCEDLO COC(=O)C1(C#N)CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000894067969 616345804 /nfs/dbraw/zinc/34/58/04/616345804.db2.gz QKGYJTJKABAYQL-UHFFFAOYSA-N 1 2 289.339 0.826 20 30 CCEDLO COC(=O)C1(C#N)CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000894067969 616345810 /nfs/dbraw/zinc/34/58/10/616345810.db2.gz QKGYJTJKABAYQL-UHFFFAOYSA-N 1 2 289.339 0.826 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1CC#N ZINC000921413466 616432465 /nfs/dbraw/zinc/43/24/65/616432465.db2.gz MMVIFKDKKQILBR-LBPRGKRZSA-N 1 2 279.365 0.735 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1CC#N ZINC000921413466 616432467 /nfs/dbraw/zinc/43/24/67/616432467.db2.gz MMVIFKDKKQILBR-LBPRGKRZSA-N 1 2 279.365 0.735 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845441869 616492123 /nfs/dbraw/zinc/49/21/23/616492123.db2.gz VJZQPFNDHDMTBP-QWRGUYRKSA-N 1 2 278.312 0.306 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933687983 616528086 /nfs/dbraw/zinc/52/80/86/616528086.db2.gz HMQFWMYCBWNNIC-KBPBESRZSA-N 1 2 253.342 0.906 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933687983 616528088 /nfs/dbraw/zinc/52/80/88/616528088.db2.gz HMQFWMYCBWNNIC-KBPBESRZSA-N 1 2 253.342 0.906 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933687985 616528337 /nfs/dbraw/zinc/52/83/37/616528337.db2.gz HMQFWMYCBWNNIC-KGLIPLIRSA-N 1 2 253.342 0.906 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933687985 616528341 /nfs/dbraw/zinc/52/83/41/616528341.db2.gz HMQFWMYCBWNNIC-KGLIPLIRSA-N 1 2 253.342 0.906 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000807281458 616614084 /nfs/dbraw/zinc/61/40/84/616614084.db2.gz VTBHSYFSSSATGP-NSHDSACASA-N 1 2 287.279 0.054 20 30 CCEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000852572413 616765479 /nfs/dbraw/zinc/76/54/79/616765479.db2.gz XAHKVUYFBLNTAB-AWEZNQCLSA-N 1 2 298.387 0.671 20 30 CCEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000852572413 616765482 /nfs/dbraw/zinc/76/54/82/616765482.db2.gz XAHKVUYFBLNTAB-AWEZNQCLSA-N 1 2 298.387 0.671 20 30 CCEDLO COC(=O)c1cc(C[NH2+][C@H]2CCCN(O)C2=O)oc1C ZINC000895162257 616857275 /nfs/dbraw/zinc/85/72/75/616857275.db2.gz JNPDLXQKKQARHQ-NSHDSACASA-N 1 2 282.296 0.844 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000802310484 616924321 /nfs/dbraw/zinc/92/43/21/616924321.db2.gz WDTHKOFJTKPZJL-GRYCIOLGSA-N 1 2 299.371 0.342 20 30 CCEDLO CON1CC[C@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000902302996 617102045 /nfs/dbraw/zinc/10/20/45/617102045.db2.gz DPGXOZNFRUTTNS-LBPRGKRZSA-N 1 2 291.307 0.421 20 30 CCEDLO CON=CC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870154142 617104157 /nfs/dbraw/zinc/10/41/57/617104157.db2.gz ZFJFXQQKUMBASW-CYBMUJFWSA-N 1 2 277.324 0.800 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308614 625295210 /nfs/dbraw/zinc/29/52/10/625295210.db2.gz JUTXJVXVGZMDSC-SRVKXCTJSA-N 1 2 273.340 0.206 20 30 CCEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)NCC#CCO)C2 ZINC000923779864 623413924 /nfs/dbraw/zinc/41/39/24/623413924.db2.gz FKBNQQLHZQSULR-UHFFFAOYSA-N 1 2 262.313 0.021 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770652 623437137 /nfs/dbraw/zinc/43/71/37/623437137.db2.gz WKMVUEWMIVETRQ-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770652 623437144 /nfs/dbraw/zinc/43/71/44/623437144.db2.gz WKMVUEWMIVETRQ-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO O=C(NCC#CCO)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000923782899 623471765 /nfs/dbraw/zinc/47/17/65/623471765.db2.gz TXRQQGWVVFMMQG-NSHDSACASA-N 1 2 262.313 0.294 20 30 CCEDLO O=C(NCC#CCO)N1CCC(n2cc[nH+]c2)CC1 ZINC000923782832 623471804 /nfs/dbraw/zinc/47/18/04/623471804.db2.gz SFDDJTRVIVEZHF-UHFFFAOYSA-N 1 2 262.313 0.225 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001017772121 623619756 /nfs/dbraw/zinc/61/97/56/623619756.db2.gz JYCCTWHMJCUGRM-XQLPTFJDSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001017772121 623619761 /nfs/dbraw/zinc/61/97/61/623619761.db2.gz JYCCTWHMJCUGRM-XQLPTFJDSA-N 1 2 292.379 0.346 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000892849001 623851919 /nfs/dbraw/zinc/85/19/19/623851919.db2.gz YICILPAWSRPHMZ-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969124445 624465405 /nfs/dbraw/zinc/46/54/05/624465405.db2.gz HVXSXXXJBUCSDT-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnns1 ZINC001027772685 630906935 /nfs/dbraw/zinc/90/69/35/630906935.db2.gz NBXKRVBFKOQGLZ-SNVBAGLBSA-N 1 2 264.354 0.756 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnns1 ZINC001027772685 630906939 /nfs/dbraw/zinc/90/69/39/630906939.db2.gz NBXKRVBFKOQGLZ-SNVBAGLBSA-N 1 2 264.354 0.756 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027791109 630921587 /nfs/dbraw/zinc/92/15/87/630921587.db2.gz YNXPNJAJSIKGCR-UONOGXRCSA-N 1 2 263.385 0.685 20 30 CCEDLO N#CCN[C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409744 631275089 /nfs/dbraw/zinc/27/50/89/631275089.db2.gz IAKYBWLVFRAIBU-QWRGUYRKSA-N 1 2 261.329 0.493 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CCCN(CC#N)CC2)c[nH+]1 ZINC000981430458 631277841 /nfs/dbraw/zinc/27/78/41/631277841.db2.gz CBHKISFWOSAYBR-UHFFFAOYSA-N 1 2 289.383 0.985 20 30 CCEDLO C[C@@H](CC(=O)N1CCCN(CC#N)CC1)n1cc[nH+]c1 ZINC000982049139 631373516 /nfs/dbraw/zinc/37/35/16/631373516.db2.gz JEUCSHFNGDAGSI-ZDUSSCGKSA-N 1 2 275.356 0.892 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968533075 650018974 /nfs/dbraw/zinc/01/89/74/650018974.db2.gz HCNGIEFKDLBAIZ-AAEUAGOBSA-N 1 2 275.356 0.313 20 30 CCEDLO Cc1[nH]c(CNC(=O)[C@@]2(C#N)CCCOC2)[nH+]c1C ZINC000896905162 632356808 /nfs/dbraw/zinc/35/68/08/632356808.db2.gz CEHZRGVKQZITTM-CYBMUJFWSA-N 1 2 262.313 0.963 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001007312438 650074189 /nfs/dbraw/zinc/07/41/89/650074189.db2.gz OYZADTBBTSCRLN-LBPRGKRZSA-N 1 2 275.356 0.260 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001007312438 650074192 /nfs/dbraw/zinc/07/41/92/650074192.db2.gz OYZADTBBTSCRLN-LBPRGKRZSA-N 1 2 275.356 0.260 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008367343 650111901 /nfs/dbraw/zinc/11/19/01/650111901.db2.gz VJIVOSWENSGXQF-NXEZZACHSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008367343 650111902 /nfs/dbraw/zinc/11/19/02/650111902.db2.gz VJIVOSWENSGXQF-NXEZZACHSA-N 1 2 286.763 0.001 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NCC#N)C[C@H]1C ZINC000989726876 633349823 /nfs/dbraw/zinc/34/98/23/633349823.db2.gz QALBPLNCEJNGJB-KOLCDFICSA-N 1 2 261.329 0.363 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NCC#N)C[C@@H]1C ZINC000989726878 633349903 /nfs/dbraw/zinc/34/99/03/633349903.db2.gz QALBPLNCEJNGJB-ONGXEEELSA-N 1 2 261.329 0.363 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CCN1C1CC1 ZINC000900671667 634067422 /nfs/dbraw/zinc/06/74/22/634067422.db2.gz KBXUQGPLCLNIKU-CYBMUJFWSA-N 1 2 285.351 0.692 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(CC#N)C1 ZINC001009347323 650143230 /nfs/dbraw/zinc/14/32/30/650143230.db2.gz RBBBRHPMZDBUMS-NSHDSACASA-N 1 2 261.329 0.365 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@H](C#N)C2)C1 ZINC000905721742 634902852 /nfs/dbraw/zinc/90/28/52/634902852.db2.gz BWTDBJYPRPZILS-OLZOCXBDSA-N 1 2 287.367 0.929 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(F)F)C2)C1=O ZINC001009818261 650162666 /nfs/dbraw/zinc/16/26/66/650162666.db2.gz XZGZWRMKHDBDQL-VHSXEESVSA-N 1 2 287.310 0.229 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(F)F)C2)C1=O ZINC001009818261 650162668 /nfs/dbraw/zinc/16/26/68/650162668.db2.gz XZGZWRMKHDBDQL-VHSXEESVSA-N 1 2 287.310 0.229 20 30 CCEDLO Cc1cc(C)c(C(=O)NCC(=O)NCC#N)c(C)[nH+]1 ZINC000908177006 635292362 /nfs/dbraw/zinc/29/23/62/635292362.db2.gz SXAFLDGEABMEMO-UHFFFAOYSA-N 1 2 260.297 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010803258 650265594 /nfs/dbraw/zinc/26/55/94/650265594.db2.gz ZOEDTLWVAFOEBS-LBPRGKRZSA-N 1 2 280.759 0.962 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010803258 650265596 /nfs/dbraw/zinc/26/55/96/650265596.db2.gz ZOEDTLWVAFOEBS-LBPRGKRZSA-N 1 2 280.759 0.962 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010840142 650269809 /nfs/dbraw/zinc/26/98/09/650269809.db2.gz KLLZFPPEJSTIKP-RKDXNWHRSA-N 1 2 273.720 0.038 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010840142 650269836 /nfs/dbraw/zinc/26/98/36/650269836.db2.gz KLLZFPPEJSTIKP-RKDXNWHRSA-N 1 2 273.720 0.038 20 30 CCEDLO C#CC1(O)CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000912972057 636719834 /nfs/dbraw/zinc/71/98/34/636719834.db2.gz UPRZTHNWEDYEHG-WYMLVPIESA-N 1 2 292.379 0.252 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000029635069 636803703 /nfs/dbraw/zinc/80/37/03/636803703.db2.gz JEWCOCUWIIZXFQ-UHFFFAOYSA-N 1 2 272.352 0.838 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453257 636811580 /nfs/dbraw/zinc/81/15/80/636811580.db2.gz LJPJYSAPSLNIES-GFCCVEGCSA-N 1 2 284.323 0.407 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CCCC1 ZINC000913444525 636816510 /nfs/dbraw/zinc/81/65/10/636816510.db2.gz YAERVOAUNVYYIO-LBPRGKRZSA-N 1 2 273.340 0.967 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3coc(C#N)c3)CC[NH2+]2)cn1 ZINC000913475985 636822394 /nfs/dbraw/zinc/82/23/94/636822394.db2.gz ZISHAAXEHAKIAW-CYBMUJFWSA-N 1 2 285.307 0.671 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC000992279134 637353292 /nfs/dbraw/zinc/35/32/92/637353292.db2.gz XYRNGJIFUBUETM-GXTWGEPZSA-N 1 2 273.340 0.589 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992829220 637617039 /nfs/dbraw/zinc/61/70/39/637617039.db2.gz DPRZYCVEZGXYMA-KWCYVHTRSA-N 1 2 287.367 0.692 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993791862 637844569 /nfs/dbraw/zinc/84/45/69/637844569.db2.gz QZZQYWAUPKPOLD-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993791862 637844571 /nfs/dbraw/zinc/84/45/71/637844571.db2.gz QZZQYWAUPKPOLD-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921411860 638178528 /nfs/dbraw/zinc/17/85/28/638178528.db2.gz ABZCUBSFKZJMFF-LBPRGKRZSA-N 1 2 297.355 0.988 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921411860 638178532 /nfs/dbraw/zinc/17/85/32/638178532.db2.gz ABZCUBSFKZJMFF-LBPRGKRZSA-N 1 2 297.355 0.988 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000938387406 638218653 /nfs/dbraw/zinc/21/86/53/638218653.db2.gz OWCPOURILWIOAI-ONGXEEELSA-N 1 2 289.339 0.137 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097310 638761765 /nfs/dbraw/zinc/76/17/65/638761765.db2.gz GQFXFQZBPRLBQV-AAEUAGOBSA-N 1 2 275.356 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014708290 650480879 /nfs/dbraw/zinc/48/08/79/650480879.db2.gz VQSVSPABFWSTCS-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014708290 650480880 /nfs/dbraw/zinc/48/08/80/650480880.db2.gz VQSVSPABFWSTCS-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014756006 650485842 /nfs/dbraw/zinc/48/58/42/650485842.db2.gz DZMDCXALYFEYNR-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014756006 650485845 /nfs/dbraw/zinc/48/58/45/650485845.db2.gz DZMDCXALYFEYNR-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003194684 639516577 /nfs/dbraw/zinc/51/65/77/639516577.db2.gz VKPFHATXVHJUTQ-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015041320 650518125 /nfs/dbraw/zinc/51/81/25/650518125.db2.gz DZGNWNMZMXMCHP-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015041320 650518128 /nfs/dbraw/zinc/51/81/28/650518128.db2.gz DZGNWNMZMXMCHP-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnon2)CC1 ZINC001004573747 639826648 /nfs/dbraw/zinc/82/66/48/639826648.db2.gz ADTHAYICIZKTGK-ZDUSSCGKSA-N 1 2 289.339 0.910 20 30 CCEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnon2)CC1 ZINC001004573747 639826650 /nfs/dbraw/zinc/82/66/50/639826650.db2.gz ADTHAYICIZKTGK-ZDUSSCGKSA-N 1 2 289.339 0.910 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015324595 650554610 /nfs/dbraw/zinc/55/46/10/650554610.db2.gz OJPUFKIHBNEWEM-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015324595 650554612 /nfs/dbraw/zinc/55/46/12/650554612.db2.gz OJPUFKIHBNEWEM-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(CC#N)CC1 ZINC001006292795 640217942 /nfs/dbraw/zinc/21/79/42/640217942.db2.gz UDRCEYAACACJOW-UHFFFAOYSA-N 1 2 275.356 0.409 20 30 CCEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)C1CC1 ZINC000838865652 640276862 /nfs/dbraw/zinc/27/68/62/640276862.db2.gz QXTPHSFNZLLAQD-CQSZACIVSA-N 1 2 267.373 0.305 20 30 CCEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)C1CC1 ZINC000838865652 640276868 /nfs/dbraw/zinc/27/68/68/640276868.db2.gz QXTPHSFNZLLAQD-CQSZACIVSA-N 1 2 267.373 0.305 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780893114 640423877 /nfs/dbraw/zinc/42/38/77/640423877.db2.gz TXHCFTYNYFGJHH-SMDDNHRTSA-N 1 2 284.319 0.993 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015621026 650594388 /nfs/dbraw/zinc/59/43/88/650594388.db2.gz QMWSMQBWNBABFC-MNOVXSKESA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015621026 650594389 /nfs/dbraw/zinc/59/43/89/650594389.db2.gz QMWSMQBWNBABFC-MNOVXSKESA-N 1 2 273.340 0.048 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015656433 650602283 /nfs/dbraw/zinc/60/22/83/650602283.db2.gz MMDMHRIZWLIRRK-VIFPVBQESA-N 1 2 250.302 0.116 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015656433 650602284 /nfs/dbraw/zinc/60/22/84/650602284.db2.gz MMDMHRIZWLIRRK-VIFPVBQESA-N 1 2 250.302 0.116 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015674153 650607111 /nfs/dbraw/zinc/60/71/11/650607111.db2.gz VWHNFQRXQYQRIM-JTQLQIEISA-N 1 2 251.330 0.019 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015674153 650607113 /nfs/dbraw/zinc/60/71/13/650607113.db2.gz VWHNFQRXQYQRIM-JTQLQIEISA-N 1 2 251.330 0.019 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(=O)c1C#N ZINC000808228394 640857482 /nfs/dbraw/zinc/85/74/82/640857482.db2.gz IHQVPVIKAJKZEX-LLVKDONJSA-N 1 2 274.324 0.183 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@H](CC(N)=O)C2)c(=O)c1C#N ZINC000808228394 640857485 /nfs/dbraw/zinc/85/74/85/640857485.db2.gz IHQVPVIKAJKZEX-LLVKDONJSA-N 1 2 274.324 0.183 20 30 CCEDLO Cn1ncc(C[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000808417221 640863237 /nfs/dbraw/zinc/86/32/37/640863237.db2.gz FBJJSXDWYQDBKD-UHFFFAOYSA-N 1 2 267.296 0.624 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000809576882 640899656 /nfs/dbraw/zinc/89/96/56/640899656.db2.gz RVXBBYDSLBOIHJ-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO N#CC[C@@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000809576882 640899659 /nfs/dbraw/zinc/89/96/59/640899659.db2.gz RVXBBYDSLBOIHJ-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO Cn1nnc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000809993485 640919265 /nfs/dbraw/zinc/91/92/65/640919265.db2.gz JZGSEHNRANZTED-UHFFFAOYSA-N 1 2 250.237 0.186 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001015939536 650660176 /nfs/dbraw/zinc/66/01/76/650660176.db2.gz VLCHROVAGLRBKT-NSHDSACASA-N 1 2 259.309 0.121 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001015939536 650660178 /nfs/dbraw/zinc/66/01/78/650660178.db2.gz VLCHROVAGLRBKT-NSHDSACASA-N 1 2 259.309 0.121 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)ccc2F)CC[N@@H+]1CCO ZINC000832547987 642495903 /nfs/dbraw/zinc/49/59/03/642495903.db2.gz NXLKNULRHJYFKJ-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)ccc2F)CC[N@H+]1CCO ZINC000832547987 642495909 /nfs/dbraw/zinc/49/59/09/642495909.db2.gz NXLKNULRHJYFKJ-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000834498994 642586396 /nfs/dbraw/zinc/58/63/96/642586396.db2.gz CXDSWTUYKBRKPD-RYUDHWBXSA-N 1 2 282.307 0.313 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000834516164 642598978 /nfs/dbraw/zinc/59/89/78/642598978.db2.gz FUAATMWWUALAPD-KCJUWKMLSA-N 1 2 259.313 0.130 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841572749 642825388 /nfs/dbraw/zinc/82/53/88/642825388.db2.gz GRZASDWEDTVAFM-OLZOCXBDSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841572749 642825392 /nfs/dbraw/zinc/82/53/92/642825392.db2.gz GRZASDWEDTVAFM-OLZOCXBDSA-N 1 2 288.413 0.117 20 30 CCEDLO FC(F)(F)[C@@H]1CC(=NNC2=[NH+]CCN2)CCO1 ZINC000841659385 642828453 /nfs/dbraw/zinc/82/84/53/642828453.db2.gz JWLRXCQTMVWBBA-ZETCQYMHSA-N 1 2 250.224 0.633 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001017403210 650800081 /nfs/dbraw/zinc/80/00/81/650800081.db2.gz QCCRUZUQUMAWMB-FRRDWIJNSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001017403210 650800083 /nfs/dbraw/zinc/80/00/83/650800083.db2.gz QCCRUZUQUMAWMB-FRRDWIJNSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C ZINC001017418784 650800428 /nfs/dbraw/zinc/80/04/28/650800428.db2.gz QBWQJGPICYOGPS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C ZINC001017418784 650800430 /nfs/dbraw/zinc/80/04/30/650800430.db2.gz QBWQJGPICYOGPS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCO1 ZINC001017478648 650805010 /nfs/dbraw/zinc/80/50/10/650805010.db2.gz QVMAEXOXOUSUNB-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCO1 ZINC001017478648 650805011 /nfs/dbraw/zinc/80/50/11/650805011.db2.gz QVMAEXOXOUSUNB-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1C1CC1 ZINC000844133804 643159474 /nfs/dbraw/zinc/15/94/74/643159474.db2.gz AMBLUTOINXMNOT-DOMZBBRYSA-N 1 2 299.378 0.644 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCOC1 ZINC001017847883 650826282 /nfs/dbraw/zinc/82/62/82/650826282.db2.gz UZNZBLPEJZAADA-MBNYWOFBSA-N 1 2 268.332 0.976 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCOC1 ZINC001017847883 650826283 /nfs/dbraw/zinc/82/62/83/650826283.db2.gz UZNZBLPEJZAADA-MBNYWOFBSA-N 1 2 268.332 0.976 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nn1 ZINC001018123448 650844879 /nfs/dbraw/zinc/84/48/79/650844879.db2.gz WNRBPSUZNVRVHS-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nn1 ZINC001018123448 650844882 /nfs/dbraw/zinc/84/48/82/650844882.db2.gz WNRBPSUZNVRVHS-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO C[C@H]1CC(=NNCCCn2cc[nH+]c2)c2ncnn21 ZINC000848416230 643634435 /nfs/dbraw/zinc/63/44/35/643634435.db2.gz CZOIBQNHPLZNBA-JTQLQIEISA-N 1 2 259.317 0.823 20 30 CCEDLO O=C1C=C(NNCCCn2cc[nH+]c2)[C@@H]2CCCN12 ZINC000848417019 643634755 /nfs/dbraw/zinc/63/47/55/643634755.db2.gz HZHZWAZNWBQEFS-LBPRGKRZSA-N 1 2 261.329 0.614 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782428 643679263 /nfs/dbraw/zinc/67/92/63/643679263.db2.gz SLWPLZUZLZQGKA-LLVKDONJSA-N 1 2 285.303 0.937 20 30 CCEDLO C[C@@H]1C[N@H+](CCOC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000850298626 643793400 /nfs/dbraw/zinc/79/34/00/643793400.db2.gz NAJVQDUWZFRCEJ-CYBMUJFWSA-N 1 2 296.367 0.961 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000850298626 643793406 /nfs/dbraw/zinc/79/34/06/643793406.db2.gz NAJVQDUWZFRCEJ-CYBMUJFWSA-N 1 2 296.367 0.961 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851741153 643875930 /nfs/dbraw/zinc/87/59/30/643875930.db2.gz BCXGJYGMZFKJJX-IUODEOHRSA-N 1 2 275.352 0.841 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851741153 643875932 /nfs/dbraw/zinc/87/59/32/643875932.db2.gz BCXGJYGMZFKJJX-IUODEOHRSA-N 1 2 275.352 0.841 20 30 CCEDLO C#CC[N@H+](CC#CC)CCc1nnn(C(C)(C)C)n1 ZINC000851786362 643883887 /nfs/dbraw/zinc/88/38/87/643883887.db2.gz ZNGNHJXMTKJBQX-UHFFFAOYSA-N 1 2 259.357 0.929 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCc1nnn(C(C)(C)C)n1 ZINC000851786362 643883889 /nfs/dbraw/zinc/88/38/89/643883889.db2.gz ZNGNHJXMTKJBQX-UHFFFAOYSA-N 1 2 259.357 0.929 20 30 CCEDLO N#Cc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)o1 ZINC000862108111 644975196 /nfs/dbraw/zinc/97/51/96/644975196.db2.gz SVWAAJONYRYXIY-UHFFFAOYSA-N 1 2 275.308 0.744 20 30 CCEDLO C[C@@H](NC(=O)c1coc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000865179991 645335300 /nfs/dbraw/zinc/33/53/00/645335300.db2.gz HQBQACIPVODWOM-MNOVXSKESA-N 1 2 277.324 0.990 20 30 CCEDLO N#C[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCOC1 ZINC000868263381 645740208 /nfs/dbraw/zinc/74/02/08/645740208.db2.gz NOURSTZBGTXMJW-SMDDNHRTSA-N 1 2 274.324 0.634 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@H](NCC#N)C1)C2 ZINC001020316961 651059196 /nfs/dbraw/zinc/05/91/96/651059196.db2.gz WMFDEHJZUKYINS-IJLUTSLNSA-N 1 2 287.367 0.583 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@H](NCC#N)C1)CC2 ZINC001020316961 651059199 /nfs/dbraw/zinc/05/91/99/651059199.db2.gz WMFDEHJZUKYINS-IJLUTSLNSA-N 1 2 287.367 0.583 20 30 CCEDLO Cc1nccnc1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930319328 648848106 /nfs/dbraw/zinc/84/81/06/648848106.db2.gz NUOPZNJKBFWRJU-GFCCVEGCSA-N 1 2 261.329 0.182 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631328 649131147 /nfs/dbraw/zinc/13/11/47/649131147.db2.gz JBIAVMHWIDHBOV-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631328 649131149 /nfs/dbraw/zinc/13/11/49/649131149.db2.gz JBIAVMHWIDHBOV-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO CN(CC1CC1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000089506487 649659393 /nfs/dbraw/zinc/65/93/93/649659393.db2.gz YQHIFHTZLMZZKQ-UHFFFAOYSA-N 1 2 276.340 0.781 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCO1 ZINC001017371145 649805194 /nfs/dbraw/zinc/80/51/94/649805194.db2.gz LGWIMUPSJWKSTN-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCO1 ZINC001017371145 649805197 /nfs/dbraw/zinc/80/51/97/649805197.db2.gz LGWIMUPSJWKSTN-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230556103 805621257 /nfs/dbraw/zinc/62/12/57/805621257.db2.gz CXPKOAAMSUTXAT-AAEUAGOBSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230556103 805621259 /nfs/dbraw/zinc/62/12/59/805621259.db2.gz CXPKOAAMSUTXAT-AAEUAGOBSA-N 1 2 277.368 0.067 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613343 805632607 /nfs/dbraw/zinc/63/26/07/805632607.db2.gz BGAHVYMTFPVOKB-NWDGAFQWSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613343 805632613 /nfs/dbraw/zinc/63/26/13/805632613.db2.gz BGAHVYMTFPVOKB-NWDGAFQWSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266278650 790384041 /nfs/dbraw/zinc/38/40/41/790384041.db2.gz NCMACXHDBDFURD-UHFFFAOYSA-N 1 2 280.372 0.276 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266278650 790384053 /nfs/dbraw/zinc/38/40/53/790384053.db2.gz NCMACXHDBDFURD-UHFFFAOYSA-N 1 2 280.372 0.276 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccc(C#N)nn1 ZINC001104225944 790452839 /nfs/dbraw/zinc/45/28/39/790452839.db2.gz GIVOMVPGCLDLRL-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266321445 790502504 /nfs/dbraw/zinc/50/25/04/790502504.db2.gz SKAUDOQFERRVSG-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266321445 790502516 /nfs/dbraw/zinc/50/25/16/790502516.db2.gz SKAUDOQFERRVSG-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325531 790509786 /nfs/dbraw/zinc/50/97/86/790509786.db2.gz PDSDELFZCQAOKI-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325531 790509795 /nfs/dbraw/zinc/50/97/95/790509795.db2.gz PDSDELFZCQAOKI-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001266477079 790772042 /nfs/dbraw/zinc/77/20/42/790772042.db2.gz IQWAOJMWPXLHHK-VXGBXAGGSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001266477079 790772049 /nfs/dbraw/zinc/77/20/49/790772049.db2.gz IQWAOJMWPXLHHK-VXGBXAGGSA-N 1 2 283.347 0.065 20 30 CCEDLO C[C@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)c1csnn1 ZINC001125361790 790800140 /nfs/dbraw/zinc/80/01/40/790800140.db2.gz VJHRTOKCQSFBMY-QMMMGPOBSA-N 1 2 290.352 0.818 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266511274 790830508 /nfs/dbraw/zinc/83/05/08/790830508.db2.gz LESLFSXPLOCIAP-LBPRGKRZSA-N 1 2 276.340 0.667 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266511274 790830522 /nfs/dbraw/zinc/83/05/22/790830522.db2.gz LESLFSXPLOCIAP-LBPRGKRZSA-N 1 2 276.340 0.667 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1C#N ZINC001207104795 791030624 /nfs/dbraw/zinc/03/06/24/791030624.db2.gz YRFWHQZEOPHBMA-TUKIKUTGSA-N 1 2 275.352 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1C#N ZINC001207104795 791030639 /nfs/dbraw/zinc/03/06/39/791030639.db2.gz YRFWHQZEOPHBMA-TUKIKUTGSA-N 1 2 275.352 0.868 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC001230766353 805663178 /nfs/dbraw/zinc/66/31/78/805663178.db2.gz UVLHIXYRMGFOCA-AWEZNQCLSA-N 1 2 289.379 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC001230766353 805663183 /nfs/dbraw/zinc/66/31/83/805663183.db2.gz UVLHIXYRMGFOCA-AWEZNQCLSA-N 1 2 289.379 0.821 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230811545 805670705 /nfs/dbraw/zinc/67/07/05/805670705.db2.gz QUEJERPTGBHFFL-LBPRGKRZSA-N 1 2 276.340 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230811545 805670710 /nfs/dbraw/zinc/67/07/10/805670710.db2.gz QUEJERPTGBHFFL-LBPRGKRZSA-N 1 2 276.340 0.206 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001231121891 805734579 /nfs/dbraw/zinc/73/45/79/805734579.db2.gz IXYQSPGUWMJUTF-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001231121891 805734587 /nfs/dbraw/zinc/73/45/87/805734587.db2.gz IXYQSPGUWMJUTF-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231226336 805754652 /nfs/dbraw/zinc/75/46/52/805754652.db2.gz OHWSBMAAKHAYRK-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231226336 805754655 /nfs/dbraw/zinc/75/46/55/805754655.db2.gz OHWSBMAAKHAYRK-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001231227440 805755771 /nfs/dbraw/zinc/75/57/71/805755771.db2.gz ZCTNNRJCBHVDFU-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001231227440 805755774 /nfs/dbraw/zinc/75/57/74/805755774.db2.gz ZCTNNRJCBHVDFU-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001277682324 805959715 /nfs/dbraw/zinc/95/97/15/805959715.db2.gz MTQZWNNAWIIQTO-NSHDSACASA-N 1 2 282.388 0.398 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001266711306 791167862 /nfs/dbraw/zinc/16/78/62/791167862.db2.gz SETVEVCAGNGBIE-WDMOLILDSA-N 1 2 292.387 0.549 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)on3)[C@H]2C1 ZINC001083251140 791638304 /nfs/dbraw/zinc/63/83/04/791638304.db2.gz CSUPAYXPJDGTHA-UONOGXRCSA-N 1 2 289.335 0.395 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)on3)[C@H]2C1 ZINC001083251140 791638308 /nfs/dbraw/zinc/63/83/08/791638308.db2.gz CSUPAYXPJDGTHA-UONOGXRCSA-N 1 2 289.335 0.395 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccnn2C)nc1 ZINC001267226735 791703067 /nfs/dbraw/zinc/70/30/67/791703067.db2.gz NKGBDCULUACQCG-UHFFFAOYSA-N 1 2 297.362 0.658 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccnn2C)nc1 ZINC001267226735 791703073 /nfs/dbraw/zinc/70/30/73/791703073.db2.gz NKGBDCULUACQCG-UHFFFAOYSA-N 1 2 297.362 0.658 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233948263 806156149 /nfs/dbraw/zinc/15/61/49/806156149.db2.gz UEZFAPIOJDCRPM-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233948263 806156163 /nfs/dbraw/zinc/15/61/63/806156163.db2.gz UEZFAPIOJDCRPM-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)C#CC1CC1 ZINC001234179731 806197992 /nfs/dbraw/zinc/19/79/92/806197992.db2.gz YEZDBSLSDRADIY-CQSZACIVSA-N 1 2 289.379 0.165 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)C#CC1CC1 ZINC001234179731 806197996 /nfs/dbraw/zinc/19/79/96/806197996.db2.gz YEZDBSLSDRADIY-CQSZACIVSA-N 1 2 289.379 0.165 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001234266713 806212943 /nfs/dbraw/zinc/21/29/43/806212943.db2.gz SQLWYKUYZSSANN-LSDHHAIUSA-N 1 2 292.379 0.207 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001234266713 806212951 /nfs/dbraw/zinc/21/29/51/806212951.db2.gz SQLWYKUYZSSANN-LSDHHAIUSA-N 1 2 292.379 0.207 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038256423 793261080 /nfs/dbraw/zinc/26/10/80/793261080.db2.gz GSVQVRZJNLNYHU-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038256423 793261093 /nfs/dbraw/zinc/26/10/93/793261093.db2.gz GSVQVRZJNLNYHU-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001234536781 806267867 /nfs/dbraw/zinc/26/78/67/806267867.db2.gz HBJMYXCKNCWUDO-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001234536781 806267872 /nfs/dbraw/zinc/26/78/72/806267872.db2.gz HBJMYXCKNCWUDO-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCCO1 ZINC001237468765 806670861 /nfs/dbraw/zinc/67/08/61/806670861.db2.gz LXUVSIMHPSROQH-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCCO1 ZINC001237468765 806670863 /nfs/dbraw/zinc/67/08/63/806670863.db2.gz LXUVSIMHPSROQH-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@H](O)CO ZINC001237523762 806678500 /nfs/dbraw/zinc/67/85/00/806678500.db2.gz CPLOSEUCLMUWRD-JTQLQIEISA-N 1 2 256.252 0.621 20 30 CCEDLO C[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@H](O)CO ZINC001237523762 806678503 /nfs/dbraw/zinc/67/85/03/806678503.db2.gz CPLOSEUCLMUWRD-JTQLQIEISA-N 1 2 256.252 0.621 20 30 CCEDLO C#Cc1ccc(CNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001211929929 814932581 /nfs/dbraw/zinc/93/25/81/814932581.db2.gz NATMLFMTLBFBPN-UHFFFAOYSA-N 1 2 293.392 0.250 20 30 CCEDLO C=CCC[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC001122466259 799241691 /nfs/dbraw/zinc/24/16/91/799241691.db2.gz MYPVUJOWSMAZNQ-GFCCVEGCSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001124767439 799634016 /nfs/dbraw/zinc/63/40/16/799634016.db2.gz GJHRBHWOCKWWQY-UHFFFAOYSA-N 1 2 294.355 0.431 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C#N)c1 ZINC001137699313 799682512 /nfs/dbraw/zinc/68/25/12/799682512.db2.gz DDYWMKGJZASPQO-UKRRQHHQSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C#N)c1 ZINC001137699313 799682514 /nfs/dbraw/zinc/68/25/14/799682514.db2.gz DDYWMKGJZASPQO-UKRRQHHQSA-N 1 2 276.336 0.742 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001138170947 799709049 /nfs/dbraw/zinc/70/90/49/799709049.db2.gz LAYVJGRBBIQSAU-LBPRGKRZSA-N 1 2 291.355 0.935 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001138170947 799709053 /nfs/dbraw/zinc/70/90/53/799709053.db2.gz LAYVJGRBBIQSAU-LBPRGKRZSA-N 1 2 291.355 0.935 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001139686938 799829010 /nfs/dbraw/zinc/82/90/10/799829010.db2.gz IDTBBCKLLKGOAF-MFKMUULPSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001139686938 799829017 /nfs/dbraw/zinc/82/90/17/799829017.db2.gz IDTBBCKLLKGOAF-MFKMUULPSA-N 1 2 266.728 0.997 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)nc3)C[C@H]21 ZINC001140541657 799921434 /nfs/dbraw/zinc/92/14/34/799921434.db2.gz OVKDQSWVXOWNNC-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)nc3)C[C@H]21 ZINC001140541657 799921440 /nfs/dbraw/zinc/92/14/40/799921440.db2.gz OVKDQSWVXOWNNC-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)nc3)C[C@H]21 ZINC001140541657 799921445 /nfs/dbraw/zinc/92/14/45/799921445.db2.gz OVKDQSWVXOWNNC-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)nc3)C[C@H]21 ZINC001140541657 799921453 /nfs/dbraw/zinc/92/14/53/799921453.db2.gz OVKDQSWVXOWNNC-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nnn(C)c21 ZINC001140541303 799922296 /nfs/dbraw/zinc/92/22/96/799922296.db2.gz CUKJJIOIVVNVCA-GFCCVEGCSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nnn(C)c21 ZINC001140541303 799922298 /nfs/dbraw/zinc/92/22/98/799922298.db2.gz CUKJJIOIVVNVCA-GFCCVEGCSA-N 1 2 298.350 0.828 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(SC)nc2NC)CC1 ZINC001140841694 799946976 /nfs/dbraw/zinc/94/69/76/799946976.db2.gz HPXZQJPMOHJXKP-UHFFFAOYSA-N 1 2 291.424 0.991 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001150084731 800316501 /nfs/dbraw/zinc/31/65/01/800316501.db2.gz GGMTVFPCJKZSNY-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001150084731 800316508 /nfs/dbraw/zinc/31/65/08/800316508.db2.gz GGMTVFPCJKZSNY-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150203684 800322263 /nfs/dbraw/zinc/32/22/63/800322263.db2.gz WEVSEVQTSZWTGX-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150203684 800322271 /nfs/dbraw/zinc/32/22/71/800322271.db2.gz WEVSEVQTSZWTGX-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092377 800719366 /nfs/dbraw/zinc/71/93/66/800719366.db2.gz GAOLWTBHJGYRMC-CHWSQXEVSA-N 1 2 289.383 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155924783 801078587 /nfs/dbraw/zinc/07/85/87/801078587.db2.gz QOTPVOXWIOFJNB-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155924783 801078593 /nfs/dbraw/zinc/07/85/93/801078593.db2.gz QOTPVOXWIOFJNB-SECBINFHSA-N 1 2 271.752 0.997 20 30 CCEDLO CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206659791 801114471 /nfs/dbraw/zinc/11/44/71/801114471.db2.gz QURPLNBKUGXEID-YRGRVCCFSA-N 1 2 289.383 0.999 20 30 CCEDLO CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206659791 801114474 /nfs/dbraw/zinc/11/44/74/801114474.db2.gz QURPLNBKUGXEID-YRGRVCCFSA-N 1 2 289.383 0.999 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C)c(C#N)n2)C[NH2+]1 ZINC001156242200 801137716 /nfs/dbraw/zinc/13/77/16/801137716.db2.gz CXYACNFDMZZBML-UWVGGRQHSA-N 1 2 260.297 0.577 20 30 CCEDLO N#Cc1ccccc1N1CCN(C(=O)C2(F)C[NH2+]C2)CC1 ZINC001157474878 801395264 /nfs/dbraw/zinc/39/52/64/801395264.db2.gz WVHHFUGKGKPYBV-UHFFFAOYSA-N 1 2 288.326 0.518 20 30 CCEDLO Cc1c[nH+]c(NC[C@@H]2CNC(=O)CO2)c(/C=N/O)c1 ZINC001158394179 801634829 /nfs/dbraw/zinc/63/48/29/801634829.db2.gz OQFCKEWQUICCGW-LNTJBVNNSA-N 1 2 264.285 0.125 20 30 CCEDLO COc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001162680585 802388533 /nfs/dbraw/zinc/38/85/33/802388533.db2.gz MFKDMFHKLVGVQR-GFCCVEGCSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001162680585 802388538 /nfs/dbraw/zinc/38/85/38/802388538.db2.gz MFKDMFHKLVGVQR-GFCCVEGCSA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)c2[nH]ccc2C)C1 ZINC001278857310 808343374 /nfs/dbraw/zinc/34/33/74/808343374.db2.gz KGTWANNQSIEAIK-UHFFFAOYSA-N 1 2 293.367 0.302 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163275033 802526373 /nfs/dbraw/zinc/52/63/73/802526373.db2.gz NSKNQINAGUXZOG-AWEZNQCLSA-N 1 2 294.399 0.107 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163275033 802526377 /nfs/dbraw/zinc/52/63/77/802526377.db2.gz NSKNQINAGUXZOG-AWEZNQCLSA-N 1 2 294.399 0.107 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001264366856 809644774 /nfs/dbraw/zinc/64/47/74/809644774.db2.gz MVWWSMVHESNVBM-MNOVXSKESA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001264366856 809644778 /nfs/dbraw/zinc/64/47/78/809644778.db2.gz MVWWSMVHESNVBM-MNOVXSKESA-N 1 2 267.373 0.605 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C3(C#N)CC3)ccn2)C[NH2+]1 ZINC001164305101 802714641 /nfs/dbraw/zinc/71/46/41/802714641.db2.gz OYXTWKYPYDSQDX-RYUDHWBXSA-N 1 2 286.335 0.952 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](O)[C@H](CO)C3)c12 ZINC001164546308 802761914 /nfs/dbraw/zinc/76/19/14/802761914.db2.gz ZVHYMKINDVNPEA-ONGXEEELSA-N 1 2 258.281 0.224 20 30 CCEDLO C=CCCC1(C(=O)NCCC[NH2+]Cc2nnn(C)n2)CC1 ZINC001165914371 802875477 /nfs/dbraw/zinc/87/54/77/802875477.db2.gz ZPIQZCBEEBCCML-UHFFFAOYSA-N 1 2 292.387 0.552 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC001207254183 803373428 /nfs/dbraw/zinc/37/34/28/803373428.db2.gz CMFZPSZEYYRQNU-UHFFFAOYSA-N 1 2 258.318 0.546 20 30 CCEDLO CC1(C(=O)N[C@H]2C[N@H+](CC(=O)NCC#N)CC2(C)C)CC1 ZINC001276586684 803545396 /nfs/dbraw/zinc/54/53/96/803545396.db2.gz NJVYZXASAWWHIR-NSHDSACASA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C(=O)N[C@H]2C[N@@H+](CC(=O)NCC#N)CC2(C)C)CC1 ZINC001276586684 803545400 /nfs/dbraw/zinc/54/54/00/803545400.db2.gz NJVYZXASAWWHIR-NSHDSACASA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)CC2(C)C)CC1 ZINC001276586683 803545803 /nfs/dbraw/zinc/54/58/03/803545803.db2.gz NJVYZXASAWWHIR-LLVKDONJSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)CC2(C)C)CC1 ZINC001276586683 803545806 /nfs/dbraw/zinc/54/58/06/803545806.db2.gz NJVYZXASAWWHIR-LLVKDONJSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211997569 814971043 /nfs/dbraw/zinc/97/10/43/814971043.db2.gz ZNDOWJHIQQBHIM-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211997569 814971048 /nfs/dbraw/zinc/97/10/48/814971048.db2.gz ZNDOWJHIQQBHIM-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)C)[C@H]2C1 ZINC001217196690 803876714 /nfs/dbraw/zinc/87/67/14/803876714.db2.gz VSSLFMGSIOCIHJ-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)C)[C@H]2C1 ZINC001217196690 803876721 /nfs/dbraw/zinc/87/67/21/803876721.db2.gz VSSLFMGSIOCIHJ-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COC(C)(C)C)[C@H]2C1 ZINC001217684832 803898995 /nfs/dbraw/zinc/89/89/95/803898995.db2.gz YYSARNGMFYLCFD-QWHCGFSZSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COC(C)(C)C)[C@H]2C1 ZINC001217684832 803899004 /nfs/dbraw/zinc/89/90/04/803899004.db2.gz YYSARNGMFYLCFD-QWHCGFSZSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COC(C)(C)C)[C@H]2C1 ZINC001217674379 803899049 /nfs/dbraw/zinc/89/90/49/803899049.db2.gz IZBXHRJOLWUFMG-UONOGXRCSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COC(C)(C)C)[C@H]2C1 ZINC001217674379 803899051 /nfs/dbraw/zinc/89/90/51/803899051.db2.gz IZBXHRJOLWUFMG-UONOGXRCSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H](C)OC)[C@H]2C1 ZINC001217680869 803899767 /nfs/dbraw/zinc/89/97/67/803899767.db2.gz RIECZOYSUZGXGI-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H](C)OC)[C@H]2C1 ZINC001217680869 803899777 /nfs/dbraw/zinc/89/97/77/803899777.db2.gz RIECZOYSUZGXGI-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(=C)C)[C@H]2C1 ZINC001218032568 803928955 /nfs/dbraw/zinc/92/89/55/803928955.db2.gz RTHQGXVWADIECV-UONOGXRCSA-N 1 2 262.353 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(=C)C)[C@H]2C1 ZINC001218032568 803928962 /nfs/dbraw/zinc/92/89/62/803928962.db2.gz RTHQGXVWADIECV-UONOGXRCSA-N 1 2 262.353 0.888 20 30 CCEDLO N#Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c([O-])cc1F ZINC001219068063 804189228 /nfs/dbraw/zinc/18/92/28/804189228.db2.gz FWEWXIKVHIOVFT-UHFFFAOYSA-N 1 2 292.314 0.683 20 30 CCEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001219112521 804204951 /nfs/dbraw/zinc/20/49/51/804204951.db2.gz KHKRWELHMGJUPZ-LBPRGKRZSA-N 1 2 263.272 0.933 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219346402 804281909 /nfs/dbraw/zinc/28/19/09/804281909.db2.gz LJFYVAOSYOJRTL-FPNIURKZSA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219346402 804281916 /nfs/dbraw/zinc/28/19/16/804281916.db2.gz LJFYVAOSYOJRTL-FPNIURKZSA-N 1 2 258.749 0.866 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001219531942 804339075 /nfs/dbraw/zinc/33/90/75/804339075.db2.gz BDLDHUTYHSBPCD-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001219531942 804339082 /nfs/dbraw/zinc/33/90/82/804339082.db2.gz BDLDHUTYHSBPCD-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219536152 804340773 /nfs/dbraw/zinc/34/07/73/804340773.db2.gz LVSZHUMTCYHUMU-YTMMQLSRSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219536152 804340780 /nfs/dbraw/zinc/34/07/80/804340780.db2.gz LVSZHUMTCYHUMU-YTMMQLSRSA-N 1 2 288.775 0.227 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCCCCC)[C@@H](O)C1 ZINC001219611882 804373782 /nfs/dbraw/zinc/37/37/82/804373782.db2.gz OFNHKPGNYQVJBQ-ZNMIVQPWSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCCCCC)[C@@H](O)C1 ZINC001219611882 804373791 /nfs/dbraw/zinc/37/37/91/804373791.db2.gz OFNHKPGNYQVJBQ-ZNMIVQPWSA-N 1 2 296.411 0.766 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272131768 815024881 /nfs/dbraw/zinc/02/48/81/815024881.db2.gz LUARFTCCIKJWOR-UONOGXRCSA-N 1 2 293.411 0.725 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272131768 815024886 /nfs/dbraw/zinc/02/48/86/815024886.db2.gz LUARFTCCIKJWOR-UONOGXRCSA-N 1 2 293.411 0.725 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCCCCCC)[C@@H](O)C1 ZINC001220848508 804680276 /nfs/dbraw/zinc/68/02/76/804680276.db2.gz XXMWGRZOZUTKSQ-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCCCCCC)[C@@H](O)C1 ZINC001220848508 804680284 /nfs/dbraw/zinc/68/02/84/804680284.db2.gz XXMWGRZOZUTKSQ-KGLIPLIRSA-N 1 2 282.384 0.378 20 30 CCEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221276514 804762155 /nfs/dbraw/zinc/76/21/55/804762155.db2.gz ASQLGPPUNCBCLO-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221276514 804762160 /nfs/dbraw/zinc/76/21/60/804762160.db2.gz ASQLGPPUNCBCLO-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221760713 804843232 /nfs/dbraw/zinc/84/32/32/804843232.db2.gz NSNLSVNYSOGFQE-YNEHKIRRSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221760713 804843239 /nfs/dbraw/zinc/84/32/39/804843239.db2.gz NSNLSVNYSOGFQE-YNEHKIRRSA-N 1 2 279.384 0.607 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cnc(C)o1 ZINC001276868074 804958077 /nfs/dbraw/zinc/95/80/77/804958077.db2.gz XXUZALNHDFIOBF-ZDUSSCGKSA-N 1 2 291.351 0.366 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cnc(C)o1 ZINC001276868074 804958081 /nfs/dbraw/zinc/95/80/81/804958081.db2.gz XXUZALNHDFIOBF-ZDUSSCGKSA-N 1 2 291.351 0.366 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CCN2CC#N)c[nH+]1 ZINC001276874419 804960808 /nfs/dbraw/zinc/96/08/08/804960808.db2.gz DRLVSHWUDWJRJM-GFCCVEGCSA-N 1 2 275.356 0.641 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001276970363 805035043 /nfs/dbraw/zinc/03/50/43/805035043.db2.gz PVBCTGDIYHUTGH-LBPRGKRZSA-N 1 2 261.325 0.658 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001276970363 805035053 /nfs/dbraw/zinc/03/50/53/805035053.db2.gz PVBCTGDIYHUTGH-LBPRGKRZSA-N 1 2 261.325 0.658 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccnnc2)C1 ZINC001277214186 805359894 /nfs/dbraw/zinc/35/98/94/805359894.db2.gz ORVFBWNTICQANR-ZBFHGGJFSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccnnc2)C1 ZINC001277214186 805359905 /nfs/dbraw/zinc/35/99/05/805359905.db2.gz ORVFBWNTICQANR-ZBFHGGJFSA-N 1 2 297.362 0.813 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CC23CC3)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278427626 807135181 /nfs/dbraw/zinc/13/51/81/807135181.db2.gz XHRLRTPKWTXOTN-SMDDNHRTSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CC23CC3)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278427626 807135186 /nfs/dbraw/zinc/13/51/86/807135186.db2.gz XHRLRTPKWTXOTN-SMDDNHRTSA-N 1 2 290.367 0.007 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C[NH2+]1 ZINC001246907120 807424231 /nfs/dbraw/zinc/42/42/31/807424231.db2.gz IKAVKBAHSRTAIM-KBPBESRZSA-N 1 2 273.336 0.894 20 30 CCEDLO C=CCCNC(=S)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001247668525 807476642 /nfs/dbraw/zinc/47/66/42/807476642.db2.gz LKOFLJCYLCKRNI-JTQLQIEISA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCCNC(=S)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001247668525 807476638 /nfs/dbraw/zinc/47/66/38/807476638.db2.gz LKOFLJCYLCKRNI-JTQLQIEISA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCCNC(=S)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001247679271 807477904 /nfs/dbraw/zinc/47/79/04/807477904.db2.gz GGPRBVHNBVOIOA-NSHDSACASA-N 1 2 296.396 0.544 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001247727379 807485176 /nfs/dbraw/zinc/48/51/76/807485176.db2.gz DNWGAGWHQMDGLX-NEPJUHHUSA-N 1 2 269.414 0.842 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001247727379 807485180 /nfs/dbraw/zinc/48/51/80/807485180.db2.gz DNWGAGWHQMDGLX-NEPJUHHUSA-N 1 2 269.414 0.842 20 30 CCEDLO N#Cc1ccn2ncc(C[N@H+]3CCOC[C@H](O)C3)c2c1 ZINC001249081916 807539510 /nfs/dbraw/zinc/53/95/10/807539510.db2.gz AJCAHKVVRREBRH-CYBMUJFWSA-N 1 2 272.308 0.399 20 30 CCEDLO N#Cc1ccn2ncc(C[N@@H+]3CCOC[C@H](O)C3)c2c1 ZINC001249081916 807539514 /nfs/dbraw/zinc/53/95/14/807539514.db2.gz AJCAHKVVRREBRH-CYBMUJFWSA-N 1 2 272.308 0.399 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075967105 815130053 /nfs/dbraw/zinc/13/00/53/815130053.db2.gz HGUFTTIEVCOYGD-BFHYXJOUSA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1ncc(Cl)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251012517 807641292 /nfs/dbraw/zinc/64/12/92/807641292.db2.gz UWLSLCCCUAUAOV-NSHDSACASA-N 1 2 296.758 0.712 20 30 CCEDLO N#Cc1cc(F)c(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251028701 807648026 /nfs/dbraw/zinc/64/80/26/807648026.db2.gz MXVRIZLJKDPRKV-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO N#Cc1ccc(F)c(F)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251033659 807648980 /nfs/dbraw/zinc/64/89/80/807648980.db2.gz NDVUZKHVUNCJDR-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO CC(C)C[C@@H](C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251044490 807654401 /nfs/dbraw/zinc/65/44/01/807654401.db2.gz YGUQXMRHFZYECS-STQMWFEESA-N 1 2 255.362 0.207 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001251851095 807717066 /nfs/dbraw/zinc/71/70/66/807717066.db2.gz DDNDLVCIKNVJHN-LBPRGKRZSA-N 1 2 274.311 0.022 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001038490327 815155388 /nfs/dbraw/zinc/15/53/88/815155388.db2.gz XZTPCXQOOJOPNJ-ZIAGYGMSSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001038490327 815155392 /nfs/dbraw/zinc/15/53/92/815155392.db2.gz XZTPCXQOOJOPNJ-ZIAGYGMSSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252603534 807918768 /nfs/dbraw/zinc/91/87/68/807918768.db2.gz ZEUGFFHIYNGCAS-AWEZNQCLSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252603534 807918771 /nfs/dbraw/zinc/91/87/71/807918771.db2.gz ZEUGFFHIYNGCAS-AWEZNQCLSA-N 1 2 282.384 0.637 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253130515 808009226 /nfs/dbraw/zinc/00/92/26/808009226.db2.gz WLNDELJJLDBJNN-AWEZNQCLSA-N 1 2 278.352 0.807 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253130515 808009229 /nfs/dbraw/zinc/00/92/29/808009229.db2.gz WLNDELJJLDBJNN-AWEZNQCLSA-N 1 2 278.352 0.807 20 30 CCEDLO C=C[C@@H](O)CN1CC[NH+](CCc2ccncc2)CC1 ZINC001253578416 808088909 /nfs/dbraw/zinc/08/89/09/808088909.db2.gz ARQIAARUJDTFHX-OAHLLOKOSA-N 1 2 261.369 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCc2ccoc2)C1 ZINC001278851697 808333993 /nfs/dbraw/zinc/33/39/93/808333993.db2.gz WOBWACXVFSWFJS-UHFFFAOYSA-N 1 2 278.352 0.951 20 30 CCEDLO CC[C@@H](C[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1)OC ZINC001278863708 808354424 /nfs/dbraw/zinc/35/44/24/808354424.db2.gz OTYXNMBLOHVXMN-ZDUSSCGKSA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)Cc1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126898852 815202363 /nfs/dbraw/zinc/20/23/63/815202363.db2.gz COILRIALAGFRSY-UHFFFAOYSA-N 1 2 290.367 0.887 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)C(=O)OC ZINC001255616495 808413492 /nfs/dbraw/zinc/41/34/92/808413492.db2.gz IINCCXWNIIFBAX-LBPRGKRZSA-N 1 2 267.325 0.827 20 30 CCEDLO COC(=O)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001257862542 808640015 /nfs/dbraw/zinc/64/00/15/808640015.db2.gz XHDUYZBZEBKNLB-HTAVTVPLSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC001261350727 808958859 /nfs/dbraw/zinc/95/88/59/808958859.db2.gz FRRKZDGPLIEONU-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)n1 ZINC001261436010 808976691 /nfs/dbraw/zinc/97/66/91/808976691.db2.gz MUFWRRFFWMVPMU-ONGXEEELSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@H](C)NC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC001261436010 808976695 /nfs/dbraw/zinc/97/66/95/808976695.db2.gz MUFWRRFFWMVPMU-ONGXEEELSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC001261436010 808976700 /nfs/dbraw/zinc/97/67/00/808976700.db2.gz MUFWRRFFWMVPMU-ONGXEEELSA-N 1 2 267.333 0.235 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001262228433 809253348 /nfs/dbraw/zinc/25/33/48/809253348.db2.gz DPIPXTROSWSESE-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CC(C)C)n2C)CC1 ZINC001262889077 809420161 /nfs/dbraw/zinc/42/01/61/809420161.db2.gz ITBBCAGRGGVURA-ZDUSSCGKSA-N 1 2 291.399 0.650 20 30 CCEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076412853 815293614 /nfs/dbraw/zinc/29/36/14/815293614.db2.gz YGLLIZYBSYRWFP-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001263816722 809577288 /nfs/dbraw/zinc/57/72/88/809577288.db2.gz HIRDUYDDEAZENK-HIFRSBDPSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001263816722 809577292 /nfs/dbraw/zinc/57/72/92/809577292.db2.gz HIRDUYDDEAZENK-HIFRSBDPSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001263821649 809578977 /nfs/dbraw/zinc/57/89/77/809578977.db2.gz WKCTYFASKKKHOQ-HOCLYGCPSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001263821649 809578980 /nfs/dbraw/zinc/57/89/80/809578980.db2.gz WKCTYFASKKKHOQ-HOCLYGCPSA-N 1 2 293.411 0.703 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)Cc2ccc[nH]2)CC1 ZINC001265266313 809736215 /nfs/dbraw/zinc/73/62/15/809736215.db2.gz IKHFRCRHEVTGPB-UHFFFAOYSA-N 1 2 288.395 0.314 20 30 CCEDLO CC(C)n1cc(C[N@H+](C)CCCNC(=O)[C@H](C)C#N)nn1 ZINC001265814860 809861387 /nfs/dbraw/zinc/86/13/87/809861387.db2.gz GMLSFQHMZKXWNI-GFCCVEGCSA-N 1 2 292.387 0.957 20 30 CCEDLO CC(C)n1cc(C[N@@H+](C)CCCNC(=O)[C@H](C)C#N)nn1 ZINC001265814860 809861392 /nfs/dbraw/zinc/86/13/92/809861392.db2.gz GMLSFQHMZKXWNI-GFCCVEGCSA-N 1 2 292.387 0.957 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001076656100 815328031 /nfs/dbraw/zinc/32/80/31/815328031.db2.gz YUKPOHBTMCGLEU-HUUCEWRRSA-N 1 2 292.766 0.873 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001076656100 815328034 /nfs/dbraw/zinc/32/80/34/815328034.db2.gz YUKPOHBTMCGLEU-HUUCEWRRSA-N 1 2 292.766 0.873 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001076682292 815343363 /nfs/dbraw/zinc/34/33/63/815343363.db2.gz UABCDXJVSIHWKM-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001076682292 815343370 /nfs/dbraw/zinc/34/33/70/815343370.db2.gz UABCDXJVSIHWKM-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898550 815408280 /nfs/dbraw/zinc/40/82/80/815408280.db2.gz OLFQJYYHAKCWKP-ZWKOPEQDSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898550 815408285 /nfs/dbraw/zinc/40/82/85/815408285.db2.gz OLFQJYYHAKCWKP-ZWKOPEQDSA-N 1 2 294.330 0.409 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001267366414 811222049 /nfs/dbraw/zinc/22/20/49/811222049.db2.gz GGWHUSHPAUNBFJ-CYBMUJFWSA-N 1 2 282.344 0.253 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC#N ZINC000355672976 811241784 /nfs/dbraw/zinc/24/17/84/811241784.db2.gz SNYQVQKSRGUBQI-RYUDHWBXSA-N 1 2 266.345 0.405 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001077024826 815434946 /nfs/dbraw/zinc/43/49/46/815434946.db2.gz RPWTYYRKSYOWHX-GHMZBOCLSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001077024826 815434948 /nfs/dbraw/zinc/43/49/48/815434948.db2.gz RPWTYYRKSYOWHX-GHMZBOCLSA-N 1 2 290.367 0.115 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038305452 811372612 /nfs/dbraw/zinc/37/26/12/811372612.db2.gz IMQJNSNHUHSISI-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038305452 811372622 /nfs/dbraw/zinc/37/26/22/811372622.db2.gz IMQJNSNHUHSISI-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083563836 815447023 /nfs/dbraw/zinc/44/70/23/815447023.db2.gz FZACBNVNAOPINV-KFWWJZLASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083563836 815447027 /nfs/dbraw/zinc/44/70/27/815447027.db2.gz FZACBNVNAOPINV-KFWWJZLASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cn1 ZINC001038317809 811430122 /nfs/dbraw/zinc/43/01/22/811430122.db2.gz GDEKYWIIZSNZRU-CYBMUJFWSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cn1 ZINC001038317809 811430130 /nfs/dbraw/zinc/43/01/30/811430130.db2.gz GDEKYWIIZSNZRU-CYBMUJFWSA-N 1 2 286.335 0.477 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648494 811546372 /nfs/dbraw/zinc/54/63/72/811546372.db2.gz VLESBRJIKYLHAW-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001267629108 811586371 /nfs/dbraw/zinc/58/63/71/811586371.db2.gz NKZYLVUVKMJTIL-NWDGAFQWSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001267629108 811586372 /nfs/dbraw/zinc/58/63/72/811586372.db2.gz NKZYLVUVKMJTIL-NWDGAFQWSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CC(C)(C)O)C1 ZINC001267644412 811609923 /nfs/dbraw/zinc/60/99/23/811609923.db2.gz PQTGKTMRQMJJEU-UHFFFAOYSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCOCCNC(C)=O)C1 ZINC001267654732 811621112 /nfs/dbraw/zinc/62/11/12/811621112.db2.gz GGBYFUYRZBSSOW-UHFFFAOYSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706140 811669128 /nfs/dbraw/zinc/66/91/28/811669128.db2.gz CDRGDVLOBQAENB-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706140 811669137 /nfs/dbraw/zinc/66/91/37/811669137.db2.gz CDRGDVLOBQAENB-STQMWFEESA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001267728828 811698714 /nfs/dbraw/zinc/69/87/14/811698714.db2.gz NAQFKCYXTVEJAD-LBPRGKRZSA-N 1 2 295.358 0.066 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001267728828 811698717 /nfs/dbraw/zinc/69/87/17/811698717.db2.gz NAQFKCYXTVEJAD-LBPRGKRZSA-N 1 2 295.358 0.066 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038356534 811708544 /nfs/dbraw/zinc/70/85/44/811708544.db2.gz CVPIHUCZRZXFAE-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038356534 811708552 /nfs/dbraw/zinc/70/85/52/811708552.db2.gz CVPIHUCZRZXFAE-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267741379 811724000 /nfs/dbraw/zinc/72/40/00/811724000.db2.gz VOHTVBILWGWAIV-CYBMUJFWSA-N 1 2 279.384 0.361 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267741379 811724006 /nfs/dbraw/zinc/72/40/06/811724006.db2.gz VOHTVBILWGWAIV-CYBMUJFWSA-N 1 2 279.384 0.361 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826176 811735722 /nfs/dbraw/zinc/73/57/22/811735722.db2.gz SHDDXIIRWWALCE-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001077269305 815471240 /nfs/dbraw/zinc/47/12/40/815471240.db2.gz VWUSXGFRGNRIKA-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001077269305 815471243 /nfs/dbraw/zinc/47/12/43/815471243.db2.gz VWUSXGFRGNRIKA-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038365060 811773072 /nfs/dbraw/zinc/77/30/72/811773072.db2.gz BFUJSEJQTGYVBN-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038365060 811773081 /nfs/dbraw/zinc/77/30/81/811773081.db2.gz BFUJSEJQTGYVBN-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(CNCC#N)C1CC1 ZINC001267860727 811840655 /nfs/dbraw/zinc/84/06/55/811840655.db2.gz QNKFOLAFBLBHRK-ABAIWWIYSA-N 1 2 289.383 0.986 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(CNCC#N)C1CC1 ZINC001267860727 811840662 /nfs/dbraw/zinc/84/06/62/811840662.db2.gz QNKFOLAFBLBHRK-ABAIWWIYSA-N 1 2 289.383 0.986 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001267950334 811886244 /nfs/dbraw/zinc/88/62/44/811886244.db2.gz YVPXHYHNDHMVOI-CYBMUJFWSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001267950334 811886251 /nfs/dbraw/zinc/88/62/51/811886251.db2.gz YVPXHYHNDHMVOI-CYBMUJFWSA-N 1 2 291.395 0.507 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001268025546 811993689 /nfs/dbraw/zinc/99/36/89/811993689.db2.gz QRIDCTRWAMFKTO-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001268025546 811993691 /nfs/dbraw/zinc/99/36/91/811993691.db2.gz QRIDCTRWAMFKTO-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO CCCCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000705942071 819585265 /nfs/dbraw/zinc/58/52/65/819585265.db2.gz WWZQOEKYLXEIBE-UHFFFAOYSA-N 1 2 255.362 0.505 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038759432 812053577 /nfs/dbraw/zinc/05/35/77/812053577.db2.gz COSAEGIARGGMGS-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038759432 812053586 /nfs/dbraw/zinc/05/35/86/812053586.db2.gz COSAEGIARGGMGS-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001038782850 812076318 /nfs/dbraw/zinc/07/63/18/812076318.db2.gz YBPPDMOJYQPKMG-NSHDSACASA-N 1 2 286.335 0.497 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001038782850 812076327 /nfs/dbraw/zinc/07/63/27/812076327.db2.gz YBPPDMOJYQPKMG-NSHDSACASA-N 1 2 286.335 0.497 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001027988222 812197313 /nfs/dbraw/zinc/19/73/13/812197313.db2.gz SHHYAUIGZWFCPP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001027988222 812197319 /nfs/dbraw/zinc/19/73/19/812197319.db2.gz SHHYAUIGZWFCPP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001028079409 812256678 /nfs/dbraw/zinc/25/66/78/812256678.db2.gz HVARNTHAYZGSSC-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001028079409 812256683 /nfs/dbraw/zinc/25/66/83/812256683.db2.gz HVARNTHAYZGSSC-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](O)C1 ZINC001083592282 815517185 /nfs/dbraw/zinc/51/71/85/815517185.db2.gz UGUARGDNGAWTBS-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](O)C1 ZINC001083592282 815517188 /nfs/dbraw/zinc/51/71/88/815517188.db2.gz UGUARGDNGAWTBS-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028116043 812289054 /nfs/dbraw/zinc/28/90/54/812289054.db2.gz AITIRPONPJIXLA-NSHDSACASA-N 1 2 276.340 0.343 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028116043 812289059 /nfs/dbraw/zinc/28/90/59/812289059.db2.gz AITIRPONPJIXLA-NSHDSACASA-N 1 2 276.340 0.343 20 30 CCEDLO C=C1CCC(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000724458435 812536136 /nfs/dbraw/zinc/53/61/36/812536136.db2.gz IJYWEURMNQTHEN-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001211755064 812673451 /nfs/dbraw/zinc/67/34/51/812673451.db2.gz VONITUZEZPSUPX-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001211755064 812673452 /nfs/dbraw/zinc/67/34/52/812673452.db2.gz VONITUZEZPSUPX-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126366741 812686558 /nfs/dbraw/zinc/68/65/58/812686558.db2.gz ZDRPXCRUBAXBBC-NSHDSACASA-N 1 2 270.358 0.071 20 30 CCEDLO N#CCSCC(=O)NC/C=C\C[NH2+]Cc1nncs1 ZINC001268515275 812752993 /nfs/dbraw/zinc/75/29/93/812752993.db2.gz ULUOZSHOQZLKNF-UPHRSURJSA-N 1 2 297.409 0.557 20 30 CCEDLO C[C@@H](NC(=O)NCCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000426435656 812804091 /nfs/dbraw/zinc/80/40/91/812804091.db2.gz DDFKLJOHGATBEI-GHMZBOCLSA-N 1 2 254.334 0.308 20 30 CCEDLO C=CCc1cc(C)c[nH+]c1NC(CO)(CO)CO ZINC001167926321 812857360 /nfs/dbraw/zinc/85/73/60/812857360.db2.gz IJMQPGAOVGMSFR-UHFFFAOYSA-N 1 2 252.314 0.246 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1 ZINC001083346447 812895122 /nfs/dbraw/zinc/89/51/22/812895122.db2.gz KYAHMXQAEAFNPY-OCCSQVGLSA-N 1 2 274.320 0.190 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1 ZINC001083346447 812895129 /nfs/dbraw/zinc/89/51/29/812895129.db2.gz KYAHMXQAEAFNPY-OCCSQVGLSA-N 1 2 274.320 0.190 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001268922143 813143357 /nfs/dbraw/zinc/14/33/57/813143357.db2.gz JDGBDALFDAOPKU-RDBSUJKOSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001268922143 813143359 /nfs/dbraw/zinc/14/33/59/813143359.db2.gz JDGBDALFDAOPKU-RDBSUJKOSA-N 1 2 291.395 0.600 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001269023415 813179711 /nfs/dbraw/zinc/17/97/11/813179711.db2.gz SFCJFAIMKOCRLN-WDEREUQCSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001269023415 813179716 /nfs/dbraw/zinc/17/97/16/813179716.db2.gz SFCJFAIMKOCRLN-WDEREUQCSA-N 1 2 260.765 0.946 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001269038796 813187819 /nfs/dbraw/zinc/18/78/19/813187819.db2.gz IHCSLVITDRUIOX-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001269038796 813187822 /nfs/dbraw/zinc/18/78/22/813187822.db2.gz IHCSLVITDRUIOX-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001269126421 813229546 /nfs/dbraw/zinc/22/95/46/813229546.db2.gz LVTISMKBDPPFLV-CYBMUJFWSA-N 1 2 274.368 0.770 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001269126421 813229549 /nfs/dbraw/zinc/22/95/49/813229549.db2.gz LVTISMKBDPPFLV-CYBMUJFWSA-N 1 2 274.368 0.770 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001269221983 813275775 /nfs/dbraw/zinc/27/57/75/813275775.db2.gz CXAZRYISGCKSEX-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001269221983 813275782 /nfs/dbraw/zinc/27/57/82/813275782.db2.gz CXAZRYISGCKSEX-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)CCCS(C)(=O)=O ZINC001269321302 813324662 /nfs/dbraw/zinc/32/46/62/813324662.db2.gz SJUDPPFMFQUOKZ-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCS(C)(=O)=O ZINC001269321302 813324670 /nfs/dbraw/zinc/32/46/70/813324670.db2.gz SJUDPPFMFQUOKZ-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)CCF)C3)C2)cc1C#N ZINC001270105626 813637072 /nfs/dbraw/zinc/63/70/72/813637072.db2.gz CAFUHZVBZRYXJS-UHFFFAOYSA-N 1 2 290.342 0.901 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)CCc1[nH+]ccn1C ZINC001270469387 813776297 /nfs/dbraw/zinc/77/62/97/813776297.db2.gz KRTOVNWYCTVPQB-NSHDSACASA-N 1 2 263.345 0.218 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001270629912 813856276 /nfs/dbraw/zinc/85/62/76/813856276.db2.gz VNRUUGIHVPIPRP-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001270629912 813856282 /nfs/dbraw/zinc/85/62/82/813856282.db2.gz VNRUUGIHVPIPRP-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)[C@@H]2C1 ZINC001075792653 814036747 /nfs/dbraw/zinc/03/67/47/814036747.db2.gz NUVZCULFGFPOEW-RRFJBIMHSA-N 1 2 298.390 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)[C@@H]2C1 ZINC001075792653 814036753 /nfs/dbraw/zinc/03/67/53/814036753.db2.gz NUVZCULFGFPOEW-RRFJBIMHSA-N 1 2 298.390 0.996 20 30 CCEDLO C#CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154079 814222047 /nfs/dbraw/zinc/22/20/47/814222047.db2.gz XVBBHYPNWLNUJA-WPRPVWTQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154079 814222054 /nfs/dbraw/zinc/22/20/54/814222054.db2.gz XVBBHYPNWLNUJA-WPRPVWTQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001271154079 814222061 /nfs/dbraw/zinc/22/20/61/814222061.db2.gz XVBBHYPNWLNUJA-WPRPVWTQSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001271154079 814222068 /nfs/dbraw/zinc/22/20/68/814222068.db2.gz XVBBHYPNWLNUJA-WPRPVWTQSA-N 1 2 282.237 0.073 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001042532550 814319603 /nfs/dbraw/zinc/31/96/03/814319603.db2.gz ADPPQBPZOASFTL-WDEREUQCSA-N 1 2 252.314 0.124 20 30 CCEDLO C=CCCC(=O)NCC1(O)C[NH+](CCOC(C)C)C1 ZINC001271254454 814353580 /nfs/dbraw/zinc/35/35/80/814353580.db2.gz MAFDKCRXSIPMOP-UHFFFAOYSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2[nH]ccc2C)C1 ZINC001271275861 814363168 /nfs/dbraw/zinc/36/31/68/814363168.db2.gz GUKGTQXKWJJLNL-UHFFFAOYSA-N 1 2 263.341 0.676 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001271380202 814398571 /nfs/dbraw/zinc/39/85/71/814398571.db2.gz GZWKKWWLSLJCGP-UHFFFAOYSA-N 1 2 298.386 0.949 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001280399341 814417415 /nfs/dbraw/zinc/41/74/15/814417415.db2.gz LUERWCYHQAGGHW-DGCLKSJQSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001280399341 814417418 /nfs/dbraw/zinc/41/74/18/814417418.db2.gz LUERWCYHQAGGHW-DGCLKSJQSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271549367 814473897 /nfs/dbraw/zinc/47/38/97/814473897.db2.gz KINYMTDVZDQLRU-CHWSQXEVSA-N 1 2 289.383 0.703 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271549370 814474130 /nfs/dbraw/zinc/47/41/30/814474130.db2.gz KINYMTDVZDQLRU-STQMWFEESA-N 1 2 289.383 0.703 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590097 814614364 /nfs/dbraw/zinc/61/43/64/814614364.db2.gz STTHNMRNQSJLDY-SNVBAGLBSA-N 1 2 276.340 0.677 20 30 CCEDLO CN(CCN(C)c1ncccc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001105419457 814623299 /nfs/dbraw/zinc/62/32/99/814623299.db2.gz ZJDZHVQEAVCNGW-UHFFFAOYSA-N 1 2 298.350 0.745 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC1CCCC1 ZINC001271957242 814651397 /nfs/dbraw/zinc/65/13/97/814651397.db2.gz KCCCKQZYNXZSOI-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC1CCCC1 ZINC001271957242 814651401 /nfs/dbraw/zinc/65/14/01/814651401.db2.gz KCCCKQZYNXZSOI-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059847769 814894786 /nfs/dbraw/zinc/89/47/86/814894786.db2.gz RRWCIFHPJGUFJT-TXEJJXNPSA-N 1 2 296.334 0.400 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](O)C1 ZINC001083647535 815600532 /nfs/dbraw/zinc/60/05/32/815600532.db2.gz HTEZCDONZPVNQX-ZJUUUORDSA-N 1 2 281.312 0.034 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](O)C1 ZINC001083647535 815600538 /nfs/dbraw/zinc/60/05/38/815600538.db2.gz HTEZCDONZPVNQX-ZJUUUORDSA-N 1 2 281.312 0.034 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001077446589 815656156 /nfs/dbraw/zinc/65/61/56/815656156.db2.gz NWNLNJXSTJOTIM-QJPTWQEYSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001077446589 815656160 /nfs/dbraw/zinc/65/61/60/815656160.db2.gz NWNLNJXSTJOTIM-QJPTWQEYSA-N 1 2 286.322 0.606 20 30 CCEDLO Cc1nc(NC[C@@H](O)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001105826038 815892240 /nfs/dbraw/zinc/89/22/40/815892240.db2.gz WGMQEQIIWFBJCP-GFCCVEGCSA-N 1 2 290.367 0.724 20 30 CCEDLO C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)O1 ZINC001030234817 815916018 /nfs/dbraw/zinc/91/60/18/815916018.db2.gz HXURYUMHBIKZOG-IINYFYTJSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001030313883 815971876 /nfs/dbraw/zinc/97/18/76/815971876.db2.gz IQECOQAZGKEWKR-GFCCVEGCSA-N 1 2 272.352 0.653 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OC)C1 ZINC001030428124 816033615 /nfs/dbraw/zinc/03/36/15/816033615.db2.gz OOTJGNLXYRHYEK-DGCLKSJQSA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001030553299 816104411 /nfs/dbraw/zinc/10/44/11/816104411.db2.gz VMDFLOSHMPSBEN-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3nccn32)C1 ZINC001030670940 816202478 /nfs/dbraw/zinc/20/24/78/816202478.db2.gz OKEDTUULGVHOQA-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2cc(CC)nn2C)C1 ZINC001030713195 816243918 /nfs/dbraw/zinc/24/39/18/816243918.db2.gz BTEXOHIBRCWKLN-UHFFFAOYSA-N 1 2 262.357 0.511 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001030768690 816277222 /nfs/dbraw/zinc/27/72/22/816277222.db2.gz LABPGRHIUVRKMS-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001030850744 816346348 /nfs/dbraw/zinc/34/63/48/816346348.db2.gz ZQCPCNRVAVCHKX-UHFFFAOYSA-N 1 2 285.307 0.101 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCCF)C2)c1 ZINC001030928224 816447795 /nfs/dbraw/zinc/44/77/95/816447795.db2.gz JOEMEAQWCLQLMB-UHFFFAOYSA-N 1 2 261.300 0.837 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030978894 816527039 /nfs/dbraw/zinc/52/70/39/816527039.db2.gz YWVCSGBOMDMHMM-CABCVRRESA-N 1 2 294.395 0.947 20 30 CCEDLO C=CCN1CC2(C[NH+](CC3(CC)COC3)C2)OCC1=O ZINC001272527625 816553011 /nfs/dbraw/zinc/55/30/11/816553011.db2.gz OZCSLCUTORSODF-UHFFFAOYSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC001272537423 816561762 /nfs/dbraw/zinc/56/17/62/816561762.db2.gz IBCREQASJHCBHD-HNNXBMFYSA-N 1 2 290.367 0.647 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC001272537423 816561769 /nfs/dbraw/zinc/56/17/69/816561769.db2.gz IBCREQASJHCBHD-HNNXBMFYSA-N 1 2 290.367 0.647 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001031091762 816636758 /nfs/dbraw/zinc/63/67/58/816636758.db2.gz LLXZCJMUCCGBMY-AWEZNQCLSA-N 1 2 279.384 0.764 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001031166172 816729614 /nfs/dbraw/zinc/72/96/14/816729614.db2.gz YGVXBJQLNUYZHQ-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001031188807 816766993 /nfs/dbraw/zinc/76/69/93/816766993.db2.gz CSLMTXBDPIJAIU-UHFFFAOYSA-N 1 2 274.368 0.981 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001031247840 816882202 /nfs/dbraw/zinc/88/22/02/816882202.db2.gz WXCZEPYMBYNRAJ-NSHDSACASA-N 1 2 274.368 0.891 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001031384145 817019344 /nfs/dbraw/zinc/01/93/44/817019344.db2.gz XRNWCDQATQWWPJ-UHFFFAOYSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001031405786 817036284 /nfs/dbraw/zinc/03/62/84/817036284.db2.gz NJCRASCNKRLASZ-AWEZNQCLSA-N 1 2 291.395 0.457 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001031433643 817051766 /nfs/dbraw/zinc/05/17/66/817051766.db2.gz OXHOAWNGLBATIA-UHFFFAOYSA-N 1 2 295.408 0.903 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001031470290 817068297 /nfs/dbraw/zinc/06/82/97/817068297.db2.gz QKIBCQSMJQYRBQ-ZDUSSCGKSA-N 1 2 274.368 0.885 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001031580728 817162201 /nfs/dbraw/zinc/16/22/01/817162201.db2.gz WVRNPUHFZNSFSG-WDEREUQCSA-N 1 2 286.759 0.596 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001031580724 817162565 /nfs/dbraw/zinc/16/25/65/817162565.db2.gz WVRNPUHFZNSFSG-GHMZBOCLSA-N 1 2 286.759 0.596 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031776035 817356613 /nfs/dbraw/zinc/35/66/13/817356613.db2.gz OICPQTSTDGYILH-LBPRGKRZSA-N 1 2 273.340 0.017 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CN(CC#N)C1)C2 ZINC001031789847 817367728 /nfs/dbraw/zinc/36/77/28/817367728.db2.gz PNBQBZAIYWTMSC-LBPRGKRZSA-N 1 2 287.367 0.395 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CN(CC#N)C1)CC2 ZINC001031789847 817367734 /nfs/dbraw/zinc/36/77/34/817367734.db2.gz PNBQBZAIYWTMSC-LBPRGKRZSA-N 1 2 287.367 0.395 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212333066 817378889 /nfs/dbraw/zinc/37/88/89/817378889.db2.gz WCJQIYNPIATNMZ-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212333066 817378899 /nfs/dbraw/zinc/37/88/99/817378899.db2.gz WCJQIYNPIATNMZ-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)cc1 ZINC001031891886 817446072 /nfs/dbraw/zinc/44/60/72/817446072.db2.gz DAUARAQYCDMYAX-LLVKDONJSA-N 1 2 285.347 0.203 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001031898160 817449356 /nfs/dbraw/zinc/44/93/56/817449356.db2.gz BXYMEWQGUJNLGN-UHFFFAOYSA-N 1 2 284.747 0.540 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001124483227 817485768 /nfs/dbraw/zinc/48/57/68/817485768.db2.gz LEAOOKKPSHTXAC-JTQLQIEISA-N 1 2 282.344 0.565 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@@H](O)C1 ZINC001083772207 817515218 /nfs/dbraw/zinc/51/52/18/817515218.db2.gz BIVJEHBEKLPUND-UTUOFQBUSA-N 1 2 262.309 0.178 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@@H](O)C1 ZINC001083772207 817515223 /nfs/dbraw/zinc/51/52/23/817515223.db2.gz BIVJEHBEKLPUND-UTUOFQBUSA-N 1 2 262.309 0.178 20 30 CCEDLO CCCCc1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124888494 817615375 /nfs/dbraw/zinc/61/53/75/817615375.db2.gz KXGRYRIQODEGBK-SNVBAGLBSA-N 1 2 279.344 0.778 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccn(C)n2)C1=O ZINC001272733847 817620072 /nfs/dbraw/zinc/62/00/72/817620072.db2.gz QBJRPMVKVFXHBS-OAHLLOKOSA-N 1 2 272.352 0.620 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccn(C)n2)C1=O ZINC001272733847 817620077 /nfs/dbraw/zinc/62/00/77/817620077.db2.gz QBJRPMVKVFXHBS-OAHLLOKOSA-N 1 2 272.352 0.620 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccn(C)n3)C2)OCC1=O ZINC001272734344 817621455 /nfs/dbraw/zinc/62/14/55/817621455.db2.gz WAZPFNLGGPJEGO-HNNXBMFYSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccn(C)n3)C2)OCC1=O ZINC001272734344 817621459 /nfs/dbraw/zinc/62/14/59/817621459.db2.gz WAZPFNLGGPJEGO-HNNXBMFYSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cn(C)cn3)C2)OCC1=O ZINC001272731794 817621500 /nfs/dbraw/zinc/62/15/00/817621500.db2.gz UJCOGGQYLBVSMW-HNNXBMFYSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cn(C)cn3)C2)OCC1=O ZINC001272731794 817621520 /nfs/dbraw/zinc/62/15/20/817621520.db2.gz UJCOGGQYLBVSMW-HNNXBMFYSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(CF)CC3)nn2)C1 ZINC001107209683 817808490 /nfs/dbraw/zinc/80/84/90/817808490.db2.gz VNCUZAREKMSESP-UHFFFAOYSA-N 1 2 293.346 0.687 20 30 CCEDLO N#Cc1cncc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107312726 817829668 /nfs/dbraw/zinc/82/96/68/817829668.db2.gz UVTRSMNWKYBCTE-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001077631147 817889293 /nfs/dbraw/zinc/88/92/93/817889293.db2.gz RYJLOHCHUAUTMB-GHMZBOCLSA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001077631147 817889301 /nfs/dbraw/zinc/88/93/01/817889301.db2.gz RYJLOHCHUAUTMB-GHMZBOCLSA-N 1 2 282.727 0.731 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnsn2)C1 ZINC001107771865 818000823 /nfs/dbraw/zinc/00/08/23/818000823.db2.gz ZYACGNRAYTXWRQ-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnsn2)C1 ZINC001107771865 818000827 /nfs/dbraw/zinc/00/08/27/818000827.db2.gz ZYACGNRAYTXWRQ-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)nn2C)C1 ZINC001107782194 818002601 /nfs/dbraw/zinc/00/26/01/818002601.db2.gz QHHLXQDEPIMXOX-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)nn2C)C1 ZINC001107782194 818002609 /nfs/dbraw/zinc/00/26/09/818002609.db2.gz QHHLXQDEPIMXOX-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107807165 818022364 /nfs/dbraw/zinc/02/23/64/818022364.db2.gz UTZUSYIAWQHCDQ-HIFRSBDPSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107807165 818022372 /nfs/dbraw/zinc/02/23/72/818022372.db2.gz UTZUSYIAWQHCDQ-HIFRSBDPSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001107815389 818026469 /nfs/dbraw/zinc/02/64/69/818026469.db2.gz SKDPHOWYSZKXKV-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001107815389 818026480 /nfs/dbraw/zinc/02/64/80/818026480.db2.gz SKDPHOWYSZKXKV-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001078717773 818041878 /nfs/dbraw/zinc/04/18/78/818041878.db2.gz FWJQAQKFWAGWKV-GHMZBOCLSA-N 1 2 276.315 0.813 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078752082 818043093 /nfs/dbraw/zinc/04/30/93/818043093.db2.gz IAIMTNXWFTZTMX-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001089977754 818111360 /nfs/dbraw/zinc/11/13/60/818111360.db2.gz YANSSTHCTVKCCG-GJZGRUSLSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001089977754 818111365 /nfs/dbraw/zinc/11/13/65/818111365.db2.gz YANSSTHCTVKCCG-GJZGRUSLSA-N 1 2 291.326 0.769 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128327524 818188295 /nfs/dbraw/zinc/18/82/95/818188295.db2.gz QTOGTMSRXOTHJP-HNNXBMFYSA-N 1 2 292.383 0.662 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128327524 818188302 /nfs/dbraw/zinc/18/83/02/818188302.db2.gz QTOGTMSRXOTHJP-HNNXBMFYSA-N 1 2 292.383 0.662 20 30 CCEDLO C=CCN1CC2(CN(Cc3c[nH+]cn3C)C2)OCC1=O ZINC001272996873 818284430 /nfs/dbraw/zinc/28/44/30/818284430.db2.gz PYIUNIBKLRDYQH-UHFFFAOYSA-N 1 2 276.340 0.019 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032921639 818360610 /nfs/dbraw/zinc/36/06/10/818360610.db2.gz QSFLHYSMNQDFQR-LBPRGKRZSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032921639 818360615 /nfs/dbraw/zinc/36/06/15/818360615.db2.gz QSFLHYSMNQDFQR-LBPRGKRZSA-N 1 2 260.341 0.752 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001044381689 818426713 /nfs/dbraw/zinc/42/67/13/818426713.db2.gz FRCHJHLQAQIDGM-UHFFFAOYSA-N 1 2 285.351 0.911 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108080432 818586190 /nfs/dbraw/zinc/58/61/90/818586190.db2.gz NTUYXUYKRKGHQL-HNNXBMFYSA-N 1 2 293.342 0.998 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108080432 818586196 /nfs/dbraw/zinc/58/61/96/818586196.db2.gz NTUYXUYKRKGHQL-HNNXBMFYSA-N 1 2 293.342 0.998 20 30 CCEDLO N#CC(C#N)c1nc2ccccc2nc1-n1cnc(C[NH3+])n1 ZINC001168750529 818678856 /nfs/dbraw/zinc/67/88/56/818678856.db2.gz PLCGNUSJCJNXPN-UHFFFAOYSA-N 1 2 290.290 0.800 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001033273176 818687453 /nfs/dbraw/zinc/68/74/53/818687453.db2.gz RPFDDNALNHHWHP-NSHDSACASA-N 1 2 289.335 0.163 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001033273176 818687462 /nfs/dbraw/zinc/68/74/62/818687462.db2.gz RPFDDNALNHHWHP-NSHDSACASA-N 1 2 289.335 0.163 20 30 CCEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCN(CC#N)C1 ZINC001033416845 818763065 /nfs/dbraw/zinc/76/30/65/818763065.db2.gz QITIMZKDDJULDV-VXGBXAGGSA-N 1 2 287.367 0.886 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495179 818801076 /nfs/dbraw/zinc/80/10/76/818801076.db2.gz PQGFCGPWWZXHPK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495179 818801082 /nfs/dbraw/zinc/80/10/82/818801082.db2.gz PQGFCGPWWZXHPK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033775347 818927066 /nfs/dbraw/zinc/92/70/66/818927066.db2.gz MWZJAAPJCPYGJV-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033775347 818927069 /nfs/dbraw/zinc/92/70/69/818927069.db2.gz MWZJAAPJCPYGJV-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033944104 819013951 /nfs/dbraw/zinc/01/39/51/819013951.db2.gz DJWXXYRBCXRYCF-LBPRGKRZSA-N 1 2 290.367 0.685 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033944104 819013956 /nfs/dbraw/zinc/01/39/56/819013956.db2.gz DJWXXYRBCXRYCF-LBPRGKRZSA-N 1 2 290.367 0.685 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001034293395 819156729 /nfs/dbraw/zinc/15/67/29/819156729.db2.gz MYPWAZOOWMKRHJ-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001034293395 819156703 /nfs/dbraw/zinc/15/67/03/819156703.db2.gz MYPWAZOOWMKRHJ-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001034293395 819156716 /nfs/dbraw/zinc/15/67/16/819156716.db2.gz MYPWAZOOWMKRHJ-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001034293395 819156721 /nfs/dbraw/zinc/15/67/21/819156721.db2.gz MYPWAZOOWMKRHJ-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108129283 819223079 /nfs/dbraw/zinc/22/30/79/819223079.db2.gz VKRKRFJOURVKCC-UMVBOHGHSA-N 1 2 264.369 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108129283 819223080 /nfs/dbraw/zinc/22/30/80/819223080.db2.gz VKRKRFJOURVKCC-UMVBOHGHSA-N 1 2 264.369 0.873 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035279665 819445956 /nfs/dbraw/zinc/44/59/56/819445956.db2.gz OBNRLTAIRYCPBC-GFCCVEGCSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035279665 819445961 /nfs/dbraw/zinc/44/59/61/819445961.db2.gz OBNRLTAIRYCPBC-GFCCVEGCSA-N 1 2 264.329 0.037 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001035313109 819462831 /nfs/dbraw/zinc/46/28/31/819462831.db2.gz IHNMFTJUNUKKPB-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001035313109 819462835 /nfs/dbraw/zinc/46/28/35/819462835.db2.gz IHNMFTJUNUKKPB-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035320073 819468261 /nfs/dbraw/zinc/46/82/61/819468261.db2.gz WKEVWWNUPWGQEJ-RYUDHWBXSA-N 1 2 254.330 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035320073 819468269 /nfs/dbraw/zinc/46/82/69/819468269.db2.gz WKEVWWNUPWGQEJ-RYUDHWBXSA-N 1 2 254.330 0.026 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC001035349475 819492850 /nfs/dbraw/zinc/49/28/50/819492850.db2.gz JMQYAXNNAAJKRW-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC001035349475 819492855 /nfs/dbraw/zinc/49/28/55/819492855.db2.gz JMQYAXNNAAJKRW-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001035375349 819494173 /nfs/dbraw/zinc/49/41/73/819494173.db2.gz QVPNIXRNLIDUNZ-SNVBAGLBSA-N 1 2 298.774 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001035375349 819494177 /nfs/dbraw/zinc/49/41/77/819494177.db2.gz QVPNIXRNLIDUNZ-SNVBAGLBSA-N 1 2 298.774 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001035402969 819508119 /nfs/dbraw/zinc/50/81/19/819508119.db2.gz QNJLXUCCYSYIRW-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001035402969 819508125 /nfs/dbraw/zinc/50/81/25/819508125.db2.gz QNJLXUCCYSYIRW-LBPRGKRZSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001035424038 819511650 /nfs/dbraw/zinc/51/16/50/819511650.db2.gz QUYWWWXIOOPKPK-ZDUSSCGKSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001035424038 819511653 /nfs/dbraw/zinc/51/16/53/819511653.db2.gz QUYWWWXIOOPKPK-ZDUSSCGKSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035425841 819511881 /nfs/dbraw/zinc/51/18/81/819511881.db2.gz CNIBWTOXUGVLTH-NSHDSACASA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035425841 819511885 /nfs/dbraw/zinc/51/18/85/819511885.db2.gz CNIBWTOXUGVLTH-NSHDSACASA-N 1 2 278.356 0.589 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035407823 819516141 /nfs/dbraw/zinc/51/61/41/819516141.db2.gz TWSUOARUPMYIBB-JXQTWKCFSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035407823 819516146 /nfs/dbraw/zinc/51/61/46/819516146.db2.gz TWSUOARUPMYIBB-JXQTWKCFSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035460484 819534476 /nfs/dbraw/zinc/53/44/76/819534476.db2.gz JLVAMZIZPGTQQZ-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035460484 819534480 /nfs/dbraw/zinc/53/44/80/819534480.db2.gz JLVAMZIZPGTQQZ-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C#C)c2)C1 ZINC001035506925 819543830 /nfs/dbraw/zinc/54/38/30/819543830.db2.gz ZLJIASDDLGWMEX-MRXNPFEDSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cncc(C#C)c2)C1 ZINC001035506925 819543833 /nfs/dbraw/zinc/54/38/33/819543833.db2.gz ZLJIASDDLGWMEX-MRXNPFEDSA-N 1 2 297.358 0.517 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001035491918 819548523 /nfs/dbraw/zinc/54/85/23/819548523.db2.gz HAURFXTWPCNCMJ-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001035491918 819548528 /nfs/dbraw/zinc/54/85/28/819548528.db2.gz HAURFXTWPCNCMJ-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035548739 819562819 /nfs/dbraw/zinc/56/28/19/819562819.db2.gz ZHMQFVAMNWLBJK-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035548739 819562823 /nfs/dbraw/zinc/56/28/23/819562823.db2.gz ZHMQFVAMNWLBJK-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001035596650 819571922 /nfs/dbraw/zinc/57/19/22/819571922.db2.gz SSAIYUUBHAYIAJ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001035596650 819571932 /nfs/dbraw/zinc/57/19/32/819571932.db2.gz SSAIYUUBHAYIAJ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035612174 819589682 /nfs/dbraw/zinc/58/96/82/819589682.db2.gz ABAIHUMHCKGOAU-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035612174 819589689 /nfs/dbraw/zinc/58/96/89/819589689.db2.gz ABAIHUMHCKGOAU-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035767833 819620865 /nfs/dbraw/zinc/62/08/65/819620865.db2.gz UNQQVOKVLCCLTD-UHFFFAOYSA-N 1 2 279.384 0.608 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC001079411885 820377305 /nfs/dbraw/zinc/37/73/05/820377305.db2.gz PONXYHGIBNSGAO-PSASIEDQSA-N 1 2 264.354 0.530 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC001079411885 820377316 /nfs/dbraw/zinc/37/73/16/820377316.db2.gz PONXYHGIBNSGAO-PSASIEDQSA-N 1 2 264.354 0.530 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324877 820549648 /nfs/dbraw/zinc/54/96/48/820549648.db2.gz HSZKSLIDPPZQND-RBSFLKMASA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324877 820549652 /nfs/dbraw/zinc/54/96/52/820549652.db2.gz HSZKSLIDPPZQND-RBSFLKMASA-N 1 2 293.411 0.165 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001080628414 820601354 /nfs/dbraw/zinc/60/13/54/820601354.db2.gz MUBIUMYVDTWMTG-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001080972150 820659836 /nfs/dbraw/zinc/65/98/36/820659836.db2.gz AAEZMXWTGYBYHT-UPJWGTAASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001080972150 820659841 /nfs/dbraw/zinc/65/98/41/820659841.db2.gz AAEZMXWTGYBYHT-UPJWGTAASA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@H](OC)C1 ZINC001081587150 820792882 /nfs/dbraw/zinc/79/28/82/820792882.db2.gz LWALJDJJYWEVJA-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@H](OC)C1 ZINC001081587150 820792884 /nfs/dbraw/zinc/79/28/84/820792884.db2.gz LWALJDJJYWEVJA-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H](OC)C1 ZINC001081682808 820816335 /nfs/dbraw/zinc/81/63/35/820816335.db2.gz SZDQYEORAMBEAE-YJNKXOJESA-N 1 2 294.395 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H](OC)C1 ZINC001081682808 820816348 /nfs/dbraw/zinc/81/63/48/820816348.db2.gz SZDQYEORAMBEAE-YJNKXOJESA-N 1 2 294.395 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@H](OC)C1 ZINC001081723345 820824215 /nfs/dbraw/zinc/82/42/15/820824215.db2.gz AHQVDJOHFATGME-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@H](OC)C1 ZINC001081723345 820824231 /nfs/dbraw/zinc/82/42/31/820824231.db2.gz AHQVDJOHFATGME-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2OC)C1 ZINC001082106219 820902268 /nfs/dbraw/zinc/90/22/68/820902268.db2.gz GTDXQLIRYPCIGK-QJPTWQEYSA-N 1 2 295.383 0.032 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2OC)C1 ZINC001082106219 820902269 /nfs/dbraw/zinc/90/22/69/820902269.db2.gz GTDXQLIRYPCIGK-QJPTWQEYSA-N 1 2 295.383 0.032 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@H](OC)C1 ZINC001082103092 820903084 /nfs/dbraw/zinc/90/30/84/820903084.db2.gz TVEUYHWCJRFWJJ-GHMZBOCLSA-N 1 2 282.727 0.995 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@H](OC)C1 ZINC001082103092 820903089 /nfs/dbraw/zinc/90/30/89/820903089.db2.gz TVEUYHWCJRFWJJ-GHMZBOCLSA-N 1 2 282.727 0.995 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@H](OC)C1 ZINC001082290173 820932069 /nfs/dbraw/zinc/93/20/69/820932069.db2.gz MQQZODOFWTVMRB-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@H](OC)C1 ZINC001082290173 820932075 /nfs/dbraw/zinc/93/20/75/820932075.db2.gz MQQZODOFWTVMRB-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC001082984879 821091048 /nfs/dbraw/zinc/09/10/48/821091048.db2.gz ZSIKOPPVTCEBOQ-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC001082984879 821091053 /nfs/dbraw/zinc/09/10/53/821091053.db2.gz ZSIKOPPVTCEBOQ-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC001082985745 821092426 /nfs/dbraw/zinc/09/24/26/821092426.db2.gz RASRKUUMHLIOMJ-QWHCGFSZSA-N 1 2 274.324 0.188 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC001082985745 821092429 /nfs/dbraw/zinc/09/24/29/821092429.db2.gz RASRKUUMHLIOMJ-QWHCGFSZSA-N 1 2 274.324 0.188 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCOCC3)[C@H]2C1 ZINC001083065085 821134695 /nfs/dbraw/zinc/13/46/95/821134695.db2.gz PCZQLYWQYFBLCE-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCOCC3)[C@H]2C1 ZINC001083065085 821134700 /nfs/dbraw/zinc/13/47/00/821134700.db2.gz PCZQLYWQYFBLCE-QLFBSQMISA-N 1 2 292.379 0.348 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2COC)[C@@H](O)C1 ZINC001083951611 821162848 /nfs/dbraw/zinc/16/28/48/821162848.db2.gz FJBVRQFPRQTZJE-NEPJUHHUSA-N 1 2 296.392 0.855 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2COC)[C@@H](O)C1 ZINC001083951611 821162853 /nfs/dbraw/zinc/16/28/53/821162853.db2.gz FJBVRQFPRQTZJE-NEPJUHHUSA-N 1 2 296.392 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001083945662 821163902 /nfs/dbraw/zinc/16/39/02/821163902.db2.gz GHKZYWDDIOVQAS-OLZOCXBDSA-N 1 2 290.363 0.949 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001083945662 821163907 /nfs/dbraw/zinc/16/39/07/821163907.db2.gz GHKZYWDDIOVQAS-OLZOCXBDSA-N 1 2 290.363 0.949 20 30 CCEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998674 821166050 /nfs/dbraw/zinc/16/60/50/821166050.db2.gz IOFJLALMPTWVBI-NEPJUHHUSA-N 1 2 298.774 0.174 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001084037236 821180408 /nfs/dbraw/zinc/18/04/08/821180408.db2.gz LMUMPHOJTNNIAP-NEPJUHHUSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001084037236 821180413 /nfs/dbraw/zinc/18/04/13/821180413.db2.gz LMUMPHOJTNNIAP-NEPJUHHUSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H](O)C1 ZINC001084087216 821196034 /nfs/dbraw/zinc/19/60/34/821196034.db2.gz BIURYVIPBOZMOR-NEPJUHHUSA-N 1 2 293.392 0.043 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H](O)C1 ZINC001084087216 821196040 /nfs/dbraw/zinc/19/60/40/821196040.db2.gz BIURYVIPBOZMOR-NEPJUHHUSA-N 1 2 293.392 0.043 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001084102425 821199897 /nfs/dbraw/zinc/19/98/97/821199897.db2.gz ZFTQCYJUVKJTJF-MJBXVCDLSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001084102425 821199904 /nfs/dbraw/zinc/19/99/04/821199904.db2.gz ZFTQCYJUVKJTJF-MJBXVCDLSA-N 1 2 278.396 0.997 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230547684 821431287 /nfs/dbraw/zinc/43/12/87/821431287.db2.gz NOSSJJLVGGJFCZ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230547684 821431289 /nfs/dbraw/zinc/43/12/89/821431289.db2.gz NOSSJJLVGGJFCZ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@@H](O)C(C)C ZINC000820365078 821442486 /nfs/dbraw/zinc/44/24/86/821442486.db2.gz NWSDNAYKCSZIME-IHRRRGAJSA-N 1 2 266.385 0.996 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@@H](O)C(C)C ZINC000820365078 821442490 /nfs/dbraw/zinc/44/24/90/821442490.db2.gz NWSDNAYKCSZIME-IHRRRGAJSA-N 1 2 266.385 0.996 20 30 CCEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@]1(OC)CCOC1 ZINC000822019440 821472708 /nfs/dbraw/zinc/47/27/08/821472708.db2.gz NOUCZVSBZGELLR-ZDUSSCGKSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CC[N@H+](CC(=O)OCC)C[C@@]1(OC)CCOC1 ZINC000822019440 821472712 /nfs/dbraw/zinc/47/27/12/821472712.db2.gz NOUCZVSBZGELLR-ZDUSSCGKSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)COCC=C ZINC001231225261 821510988 /nfs/dbraw/zinc/51/09/88/821510988.db2.gz BQXPNKAHGMXNFK-ZDUSSCGKSA-N 1 2 295.383 0.024 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)COCC=C ZINC001231225261 821510993 /nfs/dbraw/zinc/51/09/93/821510993.db2.gz BQXPNKAHGMXNFK-ZDUSSCGKSA-N 1 2 295.383 0.024 20 30 CCEDLO CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC(C)C)C2)CC1 ZINC001065701008 821580713 /nfs/dbraw/zinc/58/07/13/821580713.db2.gz VXUBXOGPURZEMC-OAHLLOKOSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450774 821703663 /nfs/dbraw/zinc/70/36/63/821703663.db2.gz BNASAVCEDMSHIC-ZIAGYGMSSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450774 821703665 /nfs/dbraw/zinc/70/36/65/821703665.db2.gz BNASAVCEDMSHIC-ZIAGYGMSSA-N 1 2 291.395 0.716 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001085502737 821752286 /nfs/dbraw/zinc/75/22/86/821752286.db2.gz FRZTVLIRHIPQRU-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001085502737 821752291 /nfs/dbraw/zinc/75/22/91/821752291.db2.gz FRZTVLIRHIPQRU-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC001085502737 821752296 /nfs/dbraw/zinc/75/22/96/821752296.db2.gz FRZTVLIRHIPQRU-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC001085502737 821752299 /nfs/dbraw/zinc/75/22/99/821752299.db2.gz FRZTVLIRHIPQRU-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001085613026 821850340 /nfs/dbraw/zinc/85/03/40/821850340.db2.gz HCQVIEFYFMLICG-AWEZNQCLSA-N 1 2 297.358 0.961 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001085613026 821850349 /nfs/dbraw/zinc/85/03/49/821850349.db2.gz HCQVIEFYFMLICG-AWEZNQCLSA-N 1 2 297.358 0.961 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712583 821913842 /nfs/dbraw/zinc/91/38/42/821913842.db2.gz OKNOSKQYHFKWDC-JTQLQIEISA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712583 821913848 /nfs/dbraw/zinc/91/38/48/821913848.db2.gz OKNOSKQYHFKWDC-JTQLQIEISA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnc2ccccc2n1 ZINC001085724803 821918486 /nfs/dbraw/zinc/91/84/86/821918486.db2.gz FUXTYBXCQNWXFZ-GFCCVEGCSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnc2ccccc2n1 ZINC001085724803 821918499 /nfs/dbraw/zinc/91/84/99/821918499.db2.gz FUXTYBXCQNWXFZ-GFCCVEGCSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(cnn2C)c1 ZINC001085894900 822004061 /nfs/dbraw/zinc/00/40/61/822004061.db2.gz OOWYVKMKICQNSL-AWEZNQCLSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2c(cnn2C)c1 ZINC001085894900 822004069 /nfs/dbraw/zinc/00/40/69/822004069.db2.gz OOWYVKMKICQNSL-AWEZNQCLSA-N 1 2 297.362 0.748 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085978477 822051333 /nfs/dbraw/zinc/05/13/33/822051333.db2.gz UDEJHZSJLRNYAV-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085978477 822051339 /nfs/dbraw/zinc/05/13/39/822051339.db2.gz UDEJHZSJLRNYAV-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001108276680 822256379 /nfs/dbraw/zinc/25/63/79/822256379.db2.gz RMJVLJRADYUPHL-SWLSCSKDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001108276680 822256382 /nfs/dbraw/zinc/25/63/82/822256382.db2.gz RMJVLJRADYUPHL-SWLSCSKDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncn2)C1 ZINC001108290213 822318721 /nfs/dbraw/zinc/31/87/21/822318721.db2.gz YPTXALSZQADNKI-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccncn2)C1 ZINC001108290213 822318732 /nfs/dbraw/zinc/31/87/32/822318732.db2.gz YPTXALSZQADNKI-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114005995 837401669 /nfs/dbraw/zinc/40/16/69/837401669.db2.gz WHRUOCWBJOYPTI-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114005995 837401675 /nfs/dbraw/zinc/40/16/75/837401675.db2.gz WHRUOCWBJOYPTI-YABSGUDNSA-N 1 2 276.340 0.891 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114064138 837425349 /nfs/dbraw/zinc/42/53/49/837425349.db2.gz MWUFHEUDKBIXFM-SVDPJWKOSA-N 1 2 276.365 0.849 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114064138 837425353 /nfs/dbraw/zinc/42/53/53/837425353.db2.gz MWUFHEUDKBIXFM-SVDPJWKOSA-N 1 2 276.365 0.849 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114197162 837468984 /nfs/dbraw/zinc/46/89/84/837468984.db2.gz UGULVCUDFBVNEI-VIKVFOODSA-N 1 2 286.379 0.770 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114197162 837468987 /nfs/dbraw/zinc/46/89/87/837468987.db2.gz UGULVCUDFBVNEI-VIKVFOODSA-N 1 2 286.379 0.770 20 30 CCEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)[nH]1 ZINC001114255557 837489305 /nfs/dbraw/zinc/48/93/05/837489305.db2.gz KWUOXNIAQMEJKS-JWFUOXDNSA-N 1 2 299.378 0.634 20 30 CCEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)[nH]1 ZINC001114255557 837489311 /nfs/dbraw/zinc/48/93/11/837489311.db2.gz KWUOXNIAQMEJKS-JWFUOXDNSA-N 1 2 299.378 0.634 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc(Cl)c2C#N)C[NH2+]1 ZINC001156243164 836108788 /nfs/dbraw/zinc/10/87/88/836108788.db2.gz PIZIWXZQJPRDIW-XPUUQOCRSA-N 1 2 281.703 0.317 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC(N)=O)C1 ZINC001108437481 836115241 /nfs/dbraw/zinc/11/52/41/836115241.db2.gz MDSTVBYWMAWJDD-CQSZACIVSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC(N)=O)C1 ZINC001108437481 836115246 /nfs/dbraw/zinc/11/52/46/836115246.db2.gz MDSTVBYWMAWJDD-CQSZACIVSA-N 1 2 283.372 0.035 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444380 836118208 /nfs/dbraw/zinc/11/82/08/836118208.db2.gz GLRZLPKDCCYNIQ-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444380 836118213 /nfs/dbraw/zinc/11/82/13/836118213.db2.gz GLRZLPKDCCYNIQ-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C=C(C)C)CC2=O)C1 ZINC001108504142 836366511 /nfs/dbraw/zinc/36/65/11/836366511.db2.gz QGRFWUABBHEHKI-ZDUSSCGKSA-N 1 2 291.395 0.930 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169906089 836477303 /nfs/dbraw/zinc/47/73/03/836477303.db2.gz SXRSVJDNPBRURE-ZJUUUORDSA-N 1 2 275.370 0.733 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090428436 836731137 /nfs/dbraw/zinc/73/11/37/836731137.db2.gz UTHHBICFJBDXRJ-YPMHNXCESA-N 1 2 299.334 0.023 20 30 CCEDLO CC(C)COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112718490 836881376 /nfs/dbraw/zinc/88/13/76/836881376.db2.gz LORNELSZHDMFJG-UONOGXRCSA-N 1 2 297.399 0.324 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001114952472 836888126 /nfs/dbraw/zinc/88/81/26/836888126.db2.gz VOKQIVRHWPIXTF-XEZLXBQYSA-N 1 2 273.340 0.158 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001114952472 836888132 /nfs/dbraw/zinc/88/81/32/836888132.db2.gz VOKQIVRHWPIXTF-XEZLXBQYSA-N 1 2 273.340 0.158 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1cnc(C#N)cn1 ZINC001113154719 837041257 /nfs/dbraw/zinc/04/12/57/837041257.db2.gz IMZQWUZWTNAIBY-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OCCOC)CC1 ZINC001113400740 837109930 /nfs/dbraw/zinc/10/99/30/837109930.db2.gz XNWYNYUBQLBBMD-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 ZINC001113411190 837110585 /nfs/dbraw/zinc/11/05/85/837110585.db2.gz JZLRYBLPXCZDKV-AWEZNQCLSA-N 1 2 297.399 0.104 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC001113554515 837156673 /nfs/dbraw/zinc/15/66/73/837156673.db2.gz FYKOTIMETPDFOV-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001113639031 837185363 /nfs/dbraw/zinc/18/53/63/837185363.db2.gz PBASCYOHAZHPKH-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC001113715047 837204511 /nfs/dbraw/zinc/20/45/11/837204511.db2.gz QNEOVUULTBWQGL-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113725261 837205682 /nfs/dbraw/zinc/20/56/82/837205682.db2.gz QXRFDBFVXGEJPI-NWDGAFQWSA-N 1 2 290.367 0.764 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(CC#N)cn1 ZINC001170337795 837318821 /nfs/dbraw/zinc/31/88/21/837318821.db2.gz ZEIIANZZPSLGBF-UHFFFAOYSA-N 1 2 257.297 0.849 20 30 CCEDLO CCc1nc(C#N)cc(-n2[nH]c(=O)c(CC[NH3+])c2C)n1 ZINC001170339100 837319694 /nfs/dbraw/zinc/31/96/94/837319694.db2.gz HKNPANFAXQVMHZ-UHFFFAOYSA-N 1 2 272.312 0.612 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnn(CC(F)(F)F)n1 ZINC001170350953 837322464 /nfs/dbraw/zinc/32/24/64/837322464.db2.gz FEFLYFYDTGFBIY-SFYZADRCSA-N 1 2 277.250 0.669 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131646495 838164996 /nfs/dbraw/zinc/16/49/96/838164996.db2.gz WKKIMKSMSIQXCW-DOMZBBRYSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131646495 838165000 /nfs/dbraw/zinc/16/50/00/838165000.db2.gz WKKIMKSMSIQXCW-DOMZBBRYSA-N 1 2 295.383 0.130 20 30 CCEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001158438327 838180418 /nfs/dbraw/zinc/18/04/18/838180418.db2.gz UPWONXKKUJRWLQ-GFCCVEGCSA-N 1 2 290.367 0.685 20 30 CCEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001158438327 838180425 /nfs/dbraw/zinc/18/04/25/838180425.db2.gz UPWONXKKUJRWLQ-GFCCVEGCSA-N 1 2 290.367 0.685 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131793574 838221057 /nfs/dbraw/zinc/22/10/57/838221057.db2.gz VIGUJNUTOLAVKT-NXEZZACHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131793574 838221068 /nfs/dbraw/zinc/22/10/68/838221068.db2.gz VIGUJNUTOLAVKT-NXEZZACHSA-N 1 2 288.779 0.376 20 30 CCEDLO CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131855775 838249532 /nfs/dbraw/zinc/24/95/32/838249532.db2.gz BRSJOMUBBVZSRF-CHWSQXEVSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131855775 838249536 /nfs/dbraw/zinc/24/95/36/838249536.db2.gz BRSJOMUBBVZSRF-CHWSQXEVSA-N 1 2 294.399 0.785 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC001170633051 838488023 /nfs/dbraw/zinc/48/80/23/838488023.db2.gz SENLOHJZSHXAPZ-CYBMUJFWSA-N 1 2 280.372 0.159 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C=O)CC1 ZINC001170633051 838488024 /nfs/dbraw/zinc/48/80/24/838488024.db2.gz SENLOHJZSHXAPZ-CYBMUJFWSA-N 1 2 280.372 0.159 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001133570168 838668667 /nfs/dbraw/zinc/66/86/67/838668667.db2.gz MOTOEHSYOVMCMI-UHFFFAOYSA-N 1 2 293.371 0.698 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001091106974 840051810 /nfs/dbraw/zinc/05/18/10/840051810.db2.gz YGYHTVQMXHUYOI-CPCZMJQVSA-N 1 2 287.367 0.453 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cncc3nncn32)cc1 ZINC001171258649 840223236 /nfs/dbraw/zinc/22/32/36/840223236.db2.gz IKIXWZZVABRHTQ-UHFFFAOYSA-N 1 2 281.279 0.260 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nonc2C)nc1 ZINC001148370247 840794186 /nfs/dbraw/zinc/79/41/86/840794186.db2.gz PKVPADDUBLHYOF-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)c1nccn12 ZINC001092341149 841011561 /nfs/dbraw/zinc/01/15/61/841011561.db2.gz YLLAEEGHWNSFQT-VIFPVBQESA-N 1 2 282.294 0.906 20 30 CCEDLO COCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001093515120 841301048 /nfs/dbraw/zinc/30/10/48/841301048.db2.gz NRSXTZKEXKFBGF-LBPRGKRZSA-N 1 2 295.383 0.484 20 30 CCEDLO Cc1nc(NCCNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001093558029 841361194 /nfs/dbraw/zinc/36/11/94/841361194.db2.gz APTSVSKFKAZVGC-UHFFFAOYSA-N 1 2 270.296 0.827 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccncc1C#N ZINC001093776806 841467574 /nfs/dbraw/zinc/46/75/74/841467574.db2.gz PNFUCUVRJCLLGW-UHFFFAOYSA-N 1 2 284.323 0.178 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CCC3)nn2)C1 ZINC001094269494 841575979 /nfs/dbraw/zinc/57/59/79/841575979.db2.gz UKNPMVUBZBLZHY-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001094549870 841672867 /nfs/dbraw/zinc/67/28/67/841672867.db2.gz UWYLGTLKPIUWEG-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)C)CC2=O)C1 ZINC001094707476 841699200 /nfs/dbraw/zinc/69/92/00/841699200.db2.gz LLGGDPOADOZOHV-LBPRGKRZSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC)CC2=O)C1 ZINC001094683884 841700170 /nfs/dbraw/zinc/70/01/70/841700170.db2.gz LXILXVFCEXDUES-NSHDSACASA-N 1 2 265.357 0.374 20 30 CCEDLO N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095021628 842002645 /nfs/dbraw/zinc/00/26/45/842002645.db2.gz IDIMUSVBCFIVQX-SRVKXCTJSA-N 1 2 273.340 0.445 20 30 CCEDLO CCOC(=O)C[C@@H]1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001173643459 842126524 /nfs/dbraw/zinc/12/65/24/842126524.db2.gz WSTSXFHRVAEZRD-FRRDWIJNSA-N 1 2 265.357 0.906 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173730151 842160834 /nfs/dbraw/zinc/16/08/34/842160834.db2.gz KPMJJMLOKCLVHK-AXFHLTTASA-N 1 2 299.400 0.608 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001176883499 842440361 /nfs/dbraw/zinc/44/03/61/842440361.db2.gz YSJTWKMEUIMLEB-LSDHHAIUSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001176883499 842440372 /nfs/dbraw/zinc/44/03/72/842440372.db2.gz YSJTWKMEUIMLEB-LSDHHAIUSA-N 1 2 294.395 0.901 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900860 842460268 /nfs/dbraw/zinc/46/02/68/842460268.db2.gz RRTQUGWBMNCRMZ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900860 842460274 /nfs/dbraw/zinc/46/02/74/842460274.db2.gz RRTQUGWBMNCRMZ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176990090 842480269 /nfs/dbraw/zinc/48/02/69/842480269.db2.gz ZALFDGIVTUWYLW-KGLIPLIRSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176990090 842480274 /nfs/dbraw/zinc/48/02/74/842480274.db2.gz ZALFDGIVTUWYLW-KGLIPLIRSA-N 1 2 280.368 0.084 20 30 CCEDLO CO/N=C(\C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC001177353522 842562702 /nfs/dbraw/zinc/56/27/02/842562702.db2.gz PBQRWFVNDNABQQ-RYPPMWICSA-N 1 2 281.312 0.077 20 30 CCEDLO CO/N=C(\C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC001177353522 842562704 /nfs/dbraw/zinc/56/27/04/842562704.db2.gz PBQRWFVNDNABQQ-RYPPMWICSA-N 1 2 281.312 0.077 20 30 CCEDLO CN(CC(=O)Nc1c[nH]nc1C#N)c1cccc[nH+]1 ZINC001177410210 842582281 /nfs/dbraw/zinc/58/22/81/842582281.db2.gz ZTOSFAFNAOKPME-UHFFFAOYSA-N 1 2 256.269 0.751 20 30 CCEDLO CN(CC(=O)N1CCN(CCC#N)CC1)c1cccc[nH+]1 ZINC001177410383 842582326 /nfs/dbraw/zinc/58/23/26/842582326.db2.gz OHLRFQLIJJOQFF-UHFFFAOYSA-N 1 2 287.367 0.576 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001179890406 843066968 /nfs/dbraw/zinc/06/69/68/843066968.db2.gz YPDVNIPWDNJRLK-JTQLQIEISA-N 1 2 285.307 0.964 20 30 CCEDLO CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110236839 843162215 /nfs/dbraw/zinc/16/22/15/843162215.db2.gz UDTICPNRAXATCX-UTUOFQBUSA-N 1 2 278.356 0.148 20 30 CCEDLO CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110236839 843162219 /nfs/dbraw/zinc/16/22/19/843162219.db2.gz UDTICPNRAXATCX-UTUOFQBUSA-N 1 2 278.356 0.148 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(C)=O)C2 ZINC001110239405 843287723 /nfs/dbraw/zinc/28/77/23/843287723.db2.gz ZFLUJHHCCVXAKP-UTUOFQBUSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(C)=O)C2 ZINC001110239405 843287734 /nfs/dbraw/zinc/28/77/34/843287734.db2.gz ZFLUJHHCCVXAKP-UTUOFQBUSA-N 1 2 285.775 0.597 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2O)CC1 ZINC001181080238 843405294 /nfs/dbraw/zinc/40/52/94/843405294.db2.gz CESONLBCHUCVOA-CHWSQXEVSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001110265252 843758721 /nfs/dbraw/zinc/75/87/21/843758721.db2.gz JSQVZWHIEMXMDO-JHEVNIALSA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001110265252 843758726 /nfs/dbraw/zinc/75/87/26/843758726.db2.gz JSQVZWHIEMXMDO-JHEVNIALSA-N 1 2 299.802 0.985 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(N(C)C)n2)CC1 ZINC001187999572 844815374 /nfs/dbraw/zinc/81/53/74/844815374.db2.gz PBSHHCDSPQSOIO-UHFFFAOYSA-N 1 2 275.356 0.486 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001191646026 845706968 /nfs/dbraw/zinc/70/69/68/845706968.db2.gz UMMZHXXPGMWCDF-JHJVBQTASA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001191646026 845706974 /nfs/dbraw/zinc/70/69/74/845706974.db2.gz UMMZHXXPGMWCDF-JHJVBQTASA-N 1 2 297.399 0.029 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001192590296 845881529 /nfs/dbraw/zinc/88/15/29/845881529.db2.gz HIIQZGIYZNVTRZ-YNEHKIRRSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001192590296 845881535 /nfs/dbraw/zinc/88/15/35/845881535.db2.gz HIIQZGIYZNVTRZ-YNEHKIRRSA-N 1 2 252.358 0.607 20 30 CCEDLO C[NH+]1CCN(c2cncc(NS(=O)(=O)CC#N)c2)CC1 ZINC001192951827 845933986 /nfs/dbraw/zinc/93/39/86/845933986.db2.gz QYQLXCYZFBCYPL-UHFFFAOYSA-N 1 2 295.368 0.099 20 30 CCEDLO N#CCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001192960852 845935267 /nfs/dbraw/zinc/93/52/67/845935267.db2.gz GGWXIBBTXNUUMU-UHFFFAOYSA-N 1 2 293.392 0.700 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C=O)CC1 ZINC001194666881 846349895 /nfs/dbraw/zinc/34/98/95/846349895.db2.gz VWGFDIVEQKYTAV-LBPRGKRZSA-N 1 2 278.356 0.101 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C=O)CC1 ZINC001194666881 846349902 /nfs/dbraw/zinc/34/99/02/846349902.db2.gz VWGFDIVEQKYTAV-LBPRGKRZSA-N 1 2 278.356 0.101 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001195284615 846496207 /nfs/dbraw/zinc/49/62/07/846496207.db2.gz ZVKJVTOPGGLZQA-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001195284615 846496213 /nfs/dbraw/zinc/49/62/13/846496213.db2.gz ZVKJVTOPGGLZQA-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001195419012 846520964 /nfs/dbraw/zinc/52/09/64/846520964.db2.gz PNSHVMAKCREKAT-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001195419012 846520973 /nfs/dbraw/zinc/52/09/73/846520973.db2.gz PNSHVMAKCREKAT-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195791511 846624862 /nfs/dbraw/zinc/62/48/62/846624862.db2.gz DGJCPXUJFZOUBB-GFCCVEGCSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195791511 846624865 /nfs/dbraw/zinc/62/48/65/846624865.db2.gz DGJCPXUJFZOUBB-GFCCVEGCSA-N 1 2 256.321 0.529 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001195990158 846671096 /nfs/dbraw/zinc/67/10/96/846671096.db2.gz LGOJALUFTLTGRO-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001195990158 846671101 /nfs/dbraw/zinc/67/11/01/846671101.db2.gz LGOJALUFTLTGRO-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001196067486 846676537 /nfs/dbraw/zinc/67/65/37/846676537.db2.gz AHTUASNXCCMTOS-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001196067486 846676545 /nfs/dbraw/zinc/67/65/45/846676545.db2.gz AHTUASNXCCMTOS-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO Cc1cnc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251007604 846781309 /nfs/dbraw/zinc/78/13/09/846781309.db2.gz XDKQLUQJBVTULA-LBPRGKRZSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001196763214 846796444 /nfs/dbraw/zinc/79/64/44/846796444.db2.gz WHFPBILLQZOVMT-MGPQQGTHSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001196763214 846796455 /nfs/dbraw/zinc/79/64/55/846796455.db2.gz WHFPBILLQZOVMT-MGPQQGTHSA-N 1 2 291.395 0.315 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196855266 846810887 /nfs/dbraw/zinc/81/08/87/846810887.db2.gz ZRYGXRFQQWCLSS-NEPJUHHUSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196855266 846810907 /nfs/dbraw/zinc/81/09/07/846810907.db2.gz ZRYGXRFQQWCLSS-NEPJUHHUSA-N 1 2 267.373 0.464 20 30 CCEDLO C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197041483 846829960 /nfs/dbraw/zinc/82/99/60/846829960.db2.gz IWGKATNALLVYQY-VXGBXAGGSA-N 1 2 293.371 0.326 20 30 CCEDLO C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197041483 846829963 /nfs/dbraw/zinc/82/99/63/846829963.db2.gz IWGKATNALLVYQY-VXGBXAGGSA-N 1 2 293.371 0.326 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203241801 846840865 /nfs/dbraw/zinc/84/08/65/846840865.db2.gz UAKNDRKSFKQQIN-OLZOCXBDSA-N 1 2 287.367 0.814 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197118336 846846216 /nfs/dbraw/zinc/84/62/16/846846216.db2.gz IZFFHXGGSSHHMI-UHFFFAOYSA-N 1 2 297.374 0.573 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197118336 846846218 /nfs/dbraw/zinc/84/62/18/846846218.db2.gz IZFFHXGGSSHHMI-UHFFFAOYSA-N 1 2 297.374 0.573 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001199331344 847304153 /nfs/dbraw/zinc/30/41/53/847304153.db2.gz NOKRTOODSVQYIW-BFHYXJOUSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001199331344 847304159 /nfs/dbraw/zinc/30/41/59/847304159.db2.gz NOKRTOODSVQYIW-BFHYXJOUSA-N 1 2 282.384 0.232 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001273882407 847728318 /nfs/dbraw/zinc/72/83/18/847728318.db2.gz YQIARLIYYLGFNP-GFCCVEGCSA-N 1 2 268.357 0.247 20 30 CCEDLO CC(C)[C@@H](O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273894333 847780166 /nfs/dbraw/zinc/78/01/66/847780166.db2.gz JWAYWDFOEQLARU-ZDUSSCGKSA-N 1 2 295.383 0.220 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N ZINC001273910053 847820226 /nfs/dbraw/zinc/82/02/26/847820226.db2.gz MBBIEIPRDOHOMA-QMAVJUDZSA-N 1 2 290.371 0.781 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001153081019 847921122 /nfs/dbraw/zinc/92/11/22/847921122.db2.gz LRELMNRESYNBFR-UHFFFAOYSA-N 1 2 298.343 0.015 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1csnn1 ZINC001273991157 848214218 /nfs/dbraw/zinc/21/42/18/848214218.db2.gz OEUVTKDVDLVCQT-ZFDPJTLLSA-N 1 2 296.396 0.627 20 30 CCEDLO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032583 848314011 /nfs/dbraw/zinc/31/40/11/848314011.db2.gz SNQTUICIQVMTBQ-ZIAGYGMSSA-N 1 2 287.367 0.899 20 30 CCEDLO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032583 848314014 /nfs/dbraw/zinc/31/40/14/848314014.db2.gz SNQTUICIQVMTBQ-ZIAGYGMSSA-N 1 2 287.367 0.899 20 30 CCEDLO C#CCN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274040757 848317818 /nfs/dbraw/zinc/31/78/18/848317818.db2.gz UDLYMXQQFLZNJX-UHFFFAOYSA-N 1 2 261.325 0.227 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130168 848357130 /nfs/dbraw/zinc/35/71/30/848357130.db2.gz OSGVTGJZXYORLY-AWEZNQCLSA-N 1 2 273.340 0.015 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130168 848357141 /nfs/dbraw/zinc/35/71/41/848357141.db2.gz OSGVTGJZXYORLY-AWEZNQCLSA-N 1 2 273.340 0.015 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)CCC=C)C[C@@]2(F)C1=O ZINC001274621603 848525605 /nfs/dbraw/zinc/52/56/05/848525605.db2.gz VUIBPSOVZPMLGD-VHDGCEQUSA-N 1 2 298.333 0.521 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@H](O)CCC=C)C[C@@]2(F)C1=O ZINC001274621603 848525609 /nfs/dbraw/zinc/52/56/09/848525609.db2.gz VUIBPSOVZPMLGD-VHDGCEQUSA-N 1 2 298.333 0.521 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001038638377 849778900 /nfs/dbraw/zinc/77/89/00/849778900.db2.gz INAQZOQMKJJJTB-QWHCGFSZSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001038638377 849778908 /nfs/dbraw/zinc/77/89/08/849778908.db2.gz INAQZOQMKJJJTB-QWHCGFSZSA-N 1 2 299.365 0.787 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038641739 849790712 /nfs/dbraw/zinc/79/07/12/849790712.db2.gz ZONAHSFNGOKHEQ-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038641739 849790715 /nfs/dbraw/zinc/79/07/15/849790715.db2.gz ZONAHSFNGOKHEQ-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038169509 849805790 /nfs/dbraw/zinc/80/57/90/849805790.db2.gz IODKOZBTJOGALM-CHWSQXEVSA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038169509 849805793 /nfs/dbraw/zinc/80/57/93/849805793.db2.gz IODKOZBTJOGALM-CHWSQXEVSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038355068 849862925 /nfs/dbraw/zinc/86/29/25/849862925.db2.gz VONHFFAXJZRLJU-LBPRGKRZSA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038355068 849862927 /nfs/dbraw/zinc/86/29/27/849862927.db2.gz VONHFFAXJZRLJU-LBPRGKRZSA-N 1 2 281.319 0.462 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001038425611 849891939 /nfs/dbraw/zinc/89/19/39/849891939.db2.gz BIXKWXPKNNTENS-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038424977 849893827 /nfs/dbraw/zinc/89/38/27/849893827.db2.gz XJJXOWOZECBPLK-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038424977 849893835 /nfs/dbraw/zinc/89/38/35/849893835.db2.gz XJJXOWOZECBPLK-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCN1CC#N)C2 ZINC001038432400 849896340 /nfs/dbraw/zinc/89/63/40/849896340.db2.gz VDVBWSFLBMQMNG-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCN1CC#N)CC2 ZINC001038432400 849896347 /nfs/dbraw/zinc/89/63/47/849896347.db2.gz VDVBWSFLBMQMNG-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038438479 849899640 /nfs/dbraw/zinc/89/96/40/849899640.db2.gz IMJMWHXLRSTWSD-CYBMUJFWSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038438479 849899648 /nfs/dbraw/zinc/89/96/48/849899648.db2.gz IMJMWHXLRSTWSD-CYBMUJFWSA-N 1 2 283.335 0.475 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001038782927 850015139 /nfs/dbraw/zinc/01/51/39/850015139.db2.gz YQAWFBFBBIPLCU-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001038782927 850015149 /nfs/dbraw/zinc/01/51/49/850015149.db2.gz YQAWFBFBBIPLCU-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001038807950 850022098 /nfs/dbraw/zinc/02/20/98/850022098.db2.gz NQZKPFNQIUQMRM-IHRRRGAJSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001038807950 850022102 /nfs/dbraw/zinc/02/21/02/850022102.db2.gz NQZKPFNQIUQMRM-IHRRRGAJSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1Br ZINC001038818402 850026281 /nfs/dbraw/zinc/02/62/81/850026281.db2.gz OSGXFGZJKQKEMB-QMMMGPOBSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1Br ZINC001038818402 850026289 /nfs/dbraw/zinc/02/62/89/850026289.db2.gz OSGXFGZJKQKEMB-QMMMGPOBSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001038863170 850053762 /nfs/dbraw/zinc/05/37/62/850053762.db2.gz FRTDSXPBZUCTNQ-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001038863170 850053773 /nfs/dbraw/zinc/05/37/73/850053773.db2.gz FRTDSXPBZUCTNQ-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001038991880 850114414 /nfs/dbraw/zinc/11/44/14/850114414.db2.gz LPPZWDTWGGKACW-GFCCVEGCSA-N 1 2 298.350 0.178 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001038991880 850114418 /nfs/dbraw/zinc/11/44/18/850114418.db2.gz LPPZWDTWGGKACW-GFCCVEGCSA-N 1 2 298.350 0.178 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246462 850603334 /nfs/dbraw/zinc/60/33/34/850603334.db2.gz FMRBZVVWLDQSKB-AAEUAGOBSA-N 1 2 273.340 0.399 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CC2OCCCO2)C1 ZINC001042641629 850721755 /nfs/dbraw/zinc/72/17/55/850721755.db2.gz XRBFHROPSAEJFV-UHFFFAOYSA-N 1 2 254.330 0.468 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001042723253 850744106 /nfs/dbraw/zinc/74/41/06/850744106.db2.gz SURLSLCWQXUDJH-UHFFFAOYSA-N 1 2 296.321 0.928 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001043011016 850797093 /nfs/dbraw/zinc/79/70/93/850797093.db2.gz GOLZYKOATYITND-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO C#CCCN1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001043182002 850829519 /nfs/dbraw/zinc/82/95/19/850829519.db2.gz QOUVQMGJLXHLJM-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043630346 850914142 /nfs/dbraw/zinc/91/41/42/850914142.db2.gz YVLKDSNKGMPQIE-OAHLLOKOSA-N 1 2 295.427 0.814 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043630346 850914154 /nfs/dbraw/zinc/91/41/54/850914154.db2.gz YVLKDSNKGMPQIE-OAHLLOKOSA-N 1 2 295.427 0.814 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@H](C)OC)C2)c1 ZINC001043821230 850942122 /nfs/dbraw/zinc/94/21/22/850942122.db2.gz DYZIKWMQGZSHEW-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CC)nn2)C1 ZINC001044107723 851012652 /nfs/dbraw/zinc/01/26/52/851012652.db2.gz UEVRCNXUOZUHHN-UHFFFAOYSA-N 1 2 261.329 0.078 20 30 CCEDLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CN(CC#N)C1 ZINC001044137264 851020788 /nfs/dbraw/zinc/02/07/88/851020788.db2.gz XSJHUTXFKKLPQF-UHFFFAOYSA-N 1 2 296.334 0.547 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096023959 851248007 /nfs/dbraw/zinc/24/80/07/851248007.db2.gz PLCPWQLMMLSPLV-GCHJQGSQSA-N 1 2 297.786 0.582 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096023959 851248011 /nfs/dbraw/zinc/24/80/11/851248011.db2.gz PLCPWQLMMLSPLV-GCHJQGSQSA-N 1 2 297.786 0.582 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N ZINC001045878167 851327778 /nfs/dbraw/zinc/32/77/78/851327778.db2.gz KZTFLBRHGSVBLV-OLZOCXBDSA-N 1 2 287.367 0.551 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001046133340 851388611 /nfs/dbraw/zinc/38/86/11/851388611.db2.gz RETXUICOSGCGEM-LBPRGKRZSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001046133340 851388624 /nfs/dbraw/zinc/38/86/24/851388624.db2.gz RETXUICOSGCGEM-LBPRGKRZSA-N 1 2 264.354 0.674 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046402579 851488436 /nfs/dbraw/zinc/48/84/36/851488436.db2.gz IORWRMHZXXAIMK-BXUZGUMPSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046402579 851488439 /nfs/dbraw/zinc/48/84/39/851488439.db2.gz IORWRMHZXXAIMK-BXUZGUMPSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046587658 851556824 /nfs/dbraw/zinc/55/68/24/851556824.db2.gz LJFVHIDJIILSCX-CABZTGNLSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046587658 851556815 /nfs/dbraw/zinc/55/68/15/851556815.db2.gz LJFVHIDJIILSCX-CABZTGNLSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscc2C)C1 ZINC001047337562 851725470 /nfs/dbraw/zinc/72/54/70/851725470.db2.gz GFSIXUFUQVYWSL-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscc2C)C1 ZINC001047337562 851725472 /nfs/dbraw/zinc/72/54/72/851725472.db2.gz GFSIXUFUQVYWSL-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001047359948 851734857 /nfs/dbraw/zinc/73/48/57/851734857.db2.gz CCXXJAJCDRPWAL-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001047359948 851734863 /nfs/dbraw/zinc/73/48/63/851734863.db2.gz CCXXJAJCDRPWAL-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001047583279 851826524 /nfs/dbraw/zinc/82/65/24/851826524.db2.gz WLBRMELPZNWISE-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001047583279 851826526 /nfs/dbraw/zinc/82/65/26/851826526.db2.gz WLBRMELPZNWISE-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001048900471 852102698 /nfs/dbraw/zinc/10/26/98/852102698.db2.gz FNYTXIVWRUPAFP-MCIONIFRSA-N 1 2 299.378 0.359 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001097793485 852616455 /nfs/dbraw/zinc/61/64/55/852616455.db2.gz ZZCOAMMCMQZYLD-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001097786232 852622013 /nfs/dbraw/zinc/62/20/13/852622013.db2.gz PSGWGGVGWNGSGU-FOGDFJRCSA-N 1 2 276.340 0.647 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001097786232 852622014 /nfs/dbraw/zinc/62/20/14/852622014.db2.gz PSGWGGVGWNGSGU-FOGDFJRCSA-N 1 2 276.340 0.647 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053187233 852706203 /nfs/dbraw/zinc/70/62/03/852706203.db2.gz HNXYIRVZFQVKFE-LLVKDONJSA-N 1 2 251.330 0.469 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1n[nH]nc1C)CCO2 ZINC001053368108 852734249 /nfs/dbraw/zinc/73/42/49/852734249.db2.gz IGIVZDXFHOFRDY-UHFFFAOYSA-N 1 2 291.355 0.216 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnc[nH]1)O2 ZINC001053681167 852775467 /nfs/dbraw/zinc/77/54/67/852775467.db2.gz FSUYKDJVBBGZEU-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncn[nH]1)O2 ZINC001053681167 852775472 /nfs/dbraw/zinc/77/54/72/852775472.db2.gz FSUYKDJVBBGZEU-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc[nH]n1)O2 ZINC001053681167 852775477 /nfs/dbraw/zinc/77/54/77/852775477.db2.gz FSUYKDJVBBGZEU-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C)n1)O2 ZINC001053698424 852778315 /nfs/dbraw/zinc/77/83/15/852778315.db2.gz KZJVNTAMIDOWCR-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCO1)CO2 ZINC001053748506 852800887 /nfs/dbraw/zinc/80/08/87/852800887.db2.gz YJGKABJPSKOYIS-UONOGXRCSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CO2 ZINC001053755487 852806597 /nfs/dbraw/zinc/80/65/97/852806597.db2.gz GDPGKSINRQFNAL-ZIAGYGMSSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(OC)C1)CO2 ZINC001053842829 852831890 /nfs/dbraw/zinc/83/18/90/852831890.db2.gz XMKXFENJKOYOTD-ROKHWSDSSA-N 1 2 292.379 0.394 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csnn1)CO2 ZINC001053882879 852838010 /nfs/dbraw/zinc/83/80/10/852838010.db2.gz KPFBSGTVPMXJTQ-JTQLQIEISA-N 1 2 292.364 0.135 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)c1 ZINC001053918300 852844783 /nfs/dbraw/zinc/84/47/83/852844783.db2.gz JOOJBHOLLILQDW-AWEZNQCLSA-N 1 2 285.347 0.656 20 30 CCEDLO CN1CCN(C2C[NH+]([C@H]3CC[C@@H](C#N)C3)C2)CC1=O ZINC001254671685 852905182 /nfs/dbraw/zinc/90/51/82/852905182.db2.gz TYOCHXNLAGAJEB-NEPJUHHUSA-N 1 2 262.357 0.137 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)c[nH+]1 ZINC001054794959 853016107 /nfs/dbraw/zinc/01/61/07/853016107.db2.gz SEMBARZDYRGMPJ-YPMHNXCESA-N 1 2 289.383 0.887 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NCC#N ZINC001054952497 853045015 /nfs/dbraw/zinc/04/50/15/853045015.db2.gz VDMROTNIIROCAD-RYUDHWBXSA-N 1 2 261.329 0.233 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001050793260 853437947 /nfs/dbraw/zinc/43/79/47/853437947.db2.gz YRUINMRLGHXULW-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001050793260 853437949 /nfs/dbraw/zinc/43/79/49/853437949.db2.gz YRUINMRLGHXULW-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001050970386 853497028 /nfs/dbraw/zinc/49/70/28/853497028.db2.gz DTQWZTVDQXEXSE-ROKHWSDSSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001050970386 853497033 /nfs/dbraw/zinc/49/70/33/853497033.db2.gz DTQWZTVDQXEXSE-ROKHWSDSSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001051087853 853522423 /nfs/dbraw/zinc/52/24/23/853522423.db2.gz VPKDTQCILFVGKX-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001051087853 853522433 /nfs/dbraw/zinc/52/24/33/853522433.db2.gz VPKDTQCILFVGKX-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO CS[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051988870 853669658 /nfs/dbraw/zinc/66/96/58/853669658.db2.gz AGABBRIHOSAZCX-QWHCGFSZSA-N 1 2 296.440 0.480 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001051991930 853671038 /nfs/dbraw/zinc/67/10/38/853671038.db2.gz OQFDHJOSXFMVFZ-CQSZACIVSA-N 1 2 289.383 0.428 20 30 CCEDLO CC[C@@H](OC)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051995394 853671144 /nfs/dbraw/zinc/67/11/44/853671144.db2.gz DBMJHSCYGKYFBF-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052060578 853678854 /nfs/dbraw/zinc/67/88/54/853678854.db2.gz IIOZKIDCBPBWBS-CQSZACIVSA-N 1 2 295.427 0.409 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001052067447 853681151 /nfs/dbraw/zinc/68/11/51/853681151.db2.gz JYXWYBZDWYBLTE-GJZGRUSLSA-N 1 2 295.402 0.832 20 30 CCEDLO CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052110583 853684058 /nfs/dbraw/zinc/68/40/58/853684058.db2.gz TTXBOAFPNYMDEZ-CYBMUJFWSA-N 1 2 278.400 0.775 20 30 CCEDLO N#Cc1cnccc1N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001058393438 853838691 /nfs/dbraw/zinc/83/86/91/853838691.db2.gz YGKHVNUWMJTQAL-ZDUSSCGKSA-N 1 2 296.334 0.545 20 30 CCEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070436689 854058918 /nfs/dbraw/zinc/05/89/18/854058918.db2.gz AKYQYCJFHRLNLU-GFCCVEGCSA-N 1 2 287.367 0.384 20 30 CCEDLO CC[C@@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070676612 854086523 /nfs/dbraw/zinc/08/65/23/854086523.db2.gz GHYNYNHMQHELQR-IJLUTSLNSA-N 1 2 293.346 0.576 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(C)=O)C1 ZINC001070899307 854099380 /nfs/dbraw/zinc/09/93/80/854099380.db2.gz TWFIGTVHHAHQCO-MCIONIFRSA-N 1 2 291.351 0.136 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(C)=O)C1 ZINC001070899307 854099387 /nfs/dbraw/zinc/09/93/87/854099387.db2.gz TWFIGTVHHAHQCO-MCIONIFRSA-N 1 2 291.351 0.136 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001071509194 854225535 /nfs/dbraw/zinc/22/55/35/854225535.db2.gz ZJQBGUOTAQDEIM-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001071509194 854225544 /nfs/dbraw/zinc/22/55/44/854225544.db2.gz ZJQBGUOTAQDEIM-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1C)C2 ZINC001072559415 854415827 /nfs/dbraw/zinc/41/58/27/854415827.db2.gz BABFBINZNOHHPQ-GFCCVEGCSA-N 1 2 287.367 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1C)C2 ZINC001072559415 854415829 /nfs/dbraw/zinc/41/58/29/854415829.db2.gz BABFBINZNOHHPQ-GFCCVEGCSA-N 1 2 287.367 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001074570246 854749665 /nfs/dbraw/zinc/74/96/65/854749665.db2.gz YMAKBGGGHZEIOL-YWVKMMECSA-N 1 2 279.369 0.777 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001099712678 854974228 /nfs/dbraw/zinc/97/42/28/854974228.db2.gz GCXCNDZTWDEBPW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]cn1C ZINC001101695157 855345450 /nfs/dbraw/zinc/34/54/50/855345450.db2.gz QMIGIMLRKWAXMH-UHFFFAOYSA-N 1 2 298.350 0.800 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728916 855355926 /nfs/dbraw/zinc/35/59/26/855355926.db2.gz QKVORPCYIYGODQ-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C ZINC001103677141 855526302 /nfs/dbraw/zinc/52/63/02/855526302.db2.gz MYDHBKDMDZZSBB-DGCLKSJQSA-N 1 2 289.383 0.858 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000692928624 855594968 /nfs/dbraw/zinc/59/49/68/855594968.db2.gz VKTXXLPHBQSDTC-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000692928624 855594981 /nfs/dbraw/zinc/59/49/81/855594981.db2.gz VKTXXLPHBQSDTC-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO CS(=O)(=O)c1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC001118383487 856283868 /nfs/dbraw/zinc/28/38/68/856283868.db2.gz HQXAEMVKTUFWDT-UHFFFAOYSA-N 1 2 296.352 0.893 20 30 CCEDLO C#CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC001119667044 856826946 /nfs/dbraw/zinc/82/69/46/856826946.db2.gz JZYCPEMAPRZJKB-UHFFFAOYSA-N 1 2 276.340 0.260 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001323372473 912299649 /nfs/dbraw/zinc/29/96/49/912299649.db2.gz XZCPQJFCLZQJTN-DZGCQCFKSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001323372473 912299668 /nfs/dbraw/zinc/29/96/68/912299668.db2.gz XZCPQJFCLZQJTN-DZGCQCFKSA-N 1 2 291.395 0.457 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001393106980 912398354 /nfs/dbraw/zinc/39/83/54/912398354.db2.gz RGTZNLXGXFLBEW-IAQYHMDHSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001393106980 912398372 /nfs/dbraw/zinc/39/83/72/912398372.db2.gz RGTZNLXGXFLBEW-IAQYHMDHSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001323587546 912432157 /nfs/dbraw/zinc/43/21/57/912432157.db2.gz ZFDKVJRGQPOAFB-LLVKDONJSA-N 1 2 276.340 0.349 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001393277322 912484686 /nfs/dbraw/zinc/48/46/86/912484686.db2.gz JYJQKSSWRWFDON-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001393277322 912484693 /nfs/dbraw/zinc/48/46/93/912484693.db2.gz JYJQKSSWRWFDON-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001323773172 912516148 /nfs/dbraw/zinc/51/61/48/912516148.db2.gz YMLZJNRIZDGLJK-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001323773172 912516168 /nfs/dbraw/zinc/51/61/68/912516168.db2.gz YMLZJNRIZDGLJK-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCn2cncn2)C1 ZINC001323887818 912563699 /nfs/dbraw/zinc/56/36/99/912563699.db2.gz UVXUNUYSUVOUGM-UHFFFAOYSA-N 1 2 263.345 0.387 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001323921812 912584398 /nfs/dbraw/zinc/58/43/98/912584398.db2.gz UFGCPVIATRNJAX-UHFFFAOYSA-N 1 2 262.353 0.745 20 30 CCEDLO CC#CCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001323938211 912591948 /nfs/dbraw/zinc/59/19/48/912591948.db2.gz NWURVEURULJAKU-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO CC#CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001323938211 912591968 /nfs/dbraw/zinc/59/19/68/912591968.db2.gz NWURVEURULJAKU-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC001328220207 915034646 /nfs/dbraw/zinc/03/46/46/915034646.db2.gz IYULBSHRPUZJMN-GMTAPVOTSA-N 1 2 260.297 0.275 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H](C)OC)C1 ZINC001325190358 913267350 /nfs/dbraw/zinc/26/73/50/913267350.db2.gz QPMBDGTTXAYDRQ-LLVKDONJSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001282700875 891477370 /nfs/dbraw/zinc/47/73/70/891477370.db2.gz PVCKXOCUDGESBJ-LBPRGKRZSA-N 1 2 292.383 0.559 20 30 CCEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1csnn1 ZINC001348972490 891727165 /nfs/dbraw/zinc/72/71/65/891727165.db2.gz KJMCCZIXZNFFHP-UWVGGRQHSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1csnn1 ZINC001348972490 891727168 /nfs/dbraw/zinc/72/71/68/891727168.db2.gz KJMCCZIXZNFFHP-UWVGGRQHSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1csnn1 ZINC001348972490 891727174 /nfs/dbraw/zinc/72/71/74/891727174.db2.gz KJMCCZIXZNFFHP-UWVGGRQHSA-N 1 2 269.374 0.395 20 30 CCEDLO CC/C=C(\C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481027172 892077922 /nfs/dbraw/zinc/07/79/22/892077922.db2.gz AWFWWUMGVHQZBJ-YFTXEMMHSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(\C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481027172 892077939 /nfs/dbraw/zinc/07/79/39/892077939.db2.gz AWFWWUMGVHQZBJ-YFTXEMMHSA-N 1 2 292.383 0.563 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001408673661 892154851 /nfs/dbraw/zinc/15/48/51/892154851.db2.gz DEYJUKWFAOAVJB-LBPRGKRZSA-N 1 2 291.355 0.398 20 30 CCEDLO CCCN(CC#N)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001481152166 892240659 /nfs/dbraw/zinc/24/06/59/892240659.db2.gz HBRGBIDOPFMVMU-UHFFFAOYSA-N 1 2 263.345 0.612 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@H](C)COC)CC1 ZINC001481471666 892716389 /nfs/dbraw/zinc/71/63/89/892716389.db2.gz CPQKDHNQSARFBR-HNNXBMFYSA-N 1 2 297.443 0.921 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CC12CCC2 ZINC001481473377 892720056 /nfs/dbraw/zinc/72/00/56/892720056.db2.gz WNKOLLAEJUJFMX-CQSZACIVSA-N 1 2 290.411 0.776 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001481524803 892771891 /nfs/dbraw/zinc/77/18/91/892771891.db2.gz UEYSUQDINMWOAB-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001481524803 892771901 /nfs/dbraw/zinc/77/19/01/892771901.db2.gz UEYSUQDINMWOAB-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C#CC3CC3)C2)O1 ZINC001481558202 892831425 /nfs/dbraw/zinc/83/14/25/892831425.db2.gz NMMLFXWVIIBODQ-BXUZGUMPSA-N 1 2 262.353 0.768 20 30 CCEDLO C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001481580999 892861479 /nfs/dbraw/zinc/86/14/79/892861479.db2.gz KLKLRLFVITVOGT-SNVBAGLBSA-N 1 2 278.356 0.894 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001481591833 892876986 /nfs/dbraw/zinc/87/69/86/892876986.db2.gz BEZQZFJHMMPLDB-LBPRGKRZSA-N 1 2 274.368 0.422 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2CC(C)(C)C2)C1 ZINC001481622710 892921464 /nfs/dbraw/zinc/92/14/64/892921464.db2.gz DNLHNJKONGGQBW-UHFFFAOYSA-N 1 2 293.411 0.773 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001481667411 892982222 /nfs/dbraw/zinc/98/22/22/892982222.db2.gz QGLOZBAQALJJID-QEJZJMRPSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001481667411 892982236 /nfs/dbraw/zinc/98/22/36/892982236.db2.gz QGLOZBAQALJJID-QEJZJMRPSA-N 1 2 276.380 0.967 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481699143 893034671 /nfs/dbraw/zinc/03/46/71/893034671.db2.gz CKIJOBPKCGDUPI-KBVBDRTLSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481699143 893034690 /nfs/dbraw/zinc/03/46/90/893034690.db2.gz CKIJOBPKCGDUPI-KBVBDRTLSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccncn2)C1 ZINC001482190107 893483613 /nfs/dbraw/zinc/48/36/13/893483613.db2.gz XINZOUXHKKWWGO-AWEZNQCLSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2ccncn2)C1 ZINC001482190107 893483625 /nfs/dbraw/zinc/48/36/25/893483625.db2.gz XINZOUXHKKWWGO-AWEZNQCLSA-N 1 2 290.367 0.412 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001482284538 893772117 /nfs/dbraw/zinc/77/21/17/893772117.db2.gz OSRZSSQIYNDNIM-WDEREUQCSA-N 1 2 296.396 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cnon2)cn1 ZINC001483085686 894889032 /nfs/dbraw/zinc/88/90/32/894889032.db2.gz FEGKCPCLGDBCEC-ONEGZZNKSA-N 1 2 297.318 0.522 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001088831653 895010646 /nfs/dbraw/zinc/01/06/46/895010646.db2.gz XPPCWYXUQMHFFQ-MFKMUULPSA-N 1 2 286.335 0.123 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ccccc1C#N ZINC001088831653 895010665 /nfs/dbraw/zinc/01/06/65/895010665.db2.gz XPPCWYXUQMHFFQ-MFKMUULPSA-N 1 2 286.335 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409659009 895320070 /nfs/dbraw/zinc/32/00/70/895320070.db2.gz PFIMLHHDTVQPCI-SECBINFHSA-N 1 2 271.752 0.536 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409659009 895320087 /nfs/dbraw/zinc/32/00/87/895320087.db2.gz PFIMLHHDTVQPCI-SECBINFHSA-N 1 2 271.752 0.536 20 30 CCEDLO C=CCCC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001483456952 895580975 /nfs/dbraw/zinc/58/09/75/895580975.db2.gz LQYHCVVUBKAWPI-UHFFFAOYSA-N 1 2 266.349 0.114 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001409832280 895727663 /nfs/dbraw/zinc/72/76/63/895727663.db2.gz FZGNYHCPRGEXFJ-MNOVXSKESA-N 1 2 292.383 0.109 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001483671955 895827556 /nfs/dbraw/zinc/82/75/56/895827556.db2.gz OKRWQFWOEOTRMO-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001483671955 895827568 /nfs/dbraw/zinc/82/75/68/895827568.db2.gz OKRWQFWOEOTRMO-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCOC ZINC001483687784 895855870 /nfs/dbraw/zinc/85/58/70/895855870.db2.gz AYOSGVVHLOCKGT-CQSZACIVSA-N 1 2 296.411 0.889 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCOC ZINC001483687784 895855883 /nfs/dbraw/zinc/85/58/83/895855883.db2.gz AYOSGVVHLOCKGT-CQSZACIVSA-N 1 2 296.411 0.889 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001483736038 895948480 /nfs/dbraw/zinc/94/84/80/895948480.db2.gz GYNBJUOSVLLQOC-ZETCQYMHSA-N 1 2 252.211 0.758 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001483736038 895948486 /nfs/dbraw/zinc/94/84/86/895948486.db2.gz GYNBJUOSVLLQOC-ZETCQYMHSA-N 1 2 252.211 0.758 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484054299 896175527 /nfs/dbraw/zinc/17/55/27/896175527.db2.gz NPEJATYUIFTVSH-BXUZGUMPSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484054299 896175534 /nfs/dbraw/zinc/17/55/34/896175534.db2.gz NPEJATYUIFTVSH-BXUZGUMPSA-N 1 2 283.347 0.065 20 30 CCEDLO C=CCCC(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001484265368 896292118 /nfs/dbraw/zinc/29/21/18/896292118.db2.gz ZWCFFODJKYWNND-GFCCVEGCSA-N 1 2 270.373 0.277 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001484265550 896293715 /nfs/dbraw/zinc/29/37/15/896293715.db2.gz ZKHJOXRBLFUURA-SWLSCSKDSA-N 1 2 299.374 0.996 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ncc3ccccn32)C1 ZINC001484284022 896313477 /nfs/dbraw/zinc/31/34/77/896313477.db2.gz POYUHBCTTJBVRC-UHFFFAOYSA-N 1 2 298.346 0.134 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)OC ZINC001484588022 896481320 /nfs/dbraw/zinc/48/13/20/896481320.db2.gz BBPUSQNCODNOQY-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001484588022 896481325 /nfs/dbraw/zinc/48/13/25/896481325.db2.gz BBPUSQNCODNOQY-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484795399 896608834 /nfs/dbraw/zinc/60/88/34/896608834.db2.gz GPXDVAWDUDJIHS-OLZOCXBDSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C(CC)CC)C1 ZINC001485398507 897023721 /nfs/dbraw/zinc/02/37/21/897023721.db2.gz YEEGXQCOXFNUKD-UHFFFAOYSA-N 1 2 266.385 0.999 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001485416524 897045559 /nfs/dbraw/zinc/04/55/59/897045559.db2.gz KBIMNKFFPOSEIR-UHFFFAOYSA-N 1 2 295.770 0.858 20 30 CCEDLO CCCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001485497220 897081195 /nfs/dbraw/zinc/08/11/95/897081195.db2.gz NFHJXOYXMUIGMK-QWRGUYRKSA-N 1 2 280.372 0.109 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001485500145 897088272 /nfs/dbraw/zinc/08/82/72/897088272.db2.gz WWBTZNIOAZUZKU-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCCCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485515884 897099583 /nfs/dbraw/zinc/09/95/83/897099583.db2.gz GIGHCBGHFPTTJF-JTQLQIEISA-N 1 2 253.346 0.265 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001326763979 914150248 /nfs/dbraw/zinc/15/02/48/914150248.db2.gz ZWSQRTMMLAASJC-LBPRGKRZSA-N 1 2 266.389 0.678 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001077748492 897400475 /nfs/dbraw/zinc/40/04/75/897400475.db2.gz PVAOGWJQVONCQZ-CHWSQXEVSA-N 1 2 261.325 0.040 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001077748492 897400480 /nfs/dbraw/zinc/40/04/80/897400480.db2.gz PVAOGWJQVONCQZ-CHWSQXEVSA-N 1 2 261.325 0.040 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)n1 ZINC001032391403 897418775 /nfs/dbraw/zinc/41/87/75/897418775.db2.gz XILQXGMJONCYIH-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)n1 ZINC001032391403 897418782 /nfs/dbraw/zinc/41/87/82/897418782.db2.gz XILQXGMJONCYIH-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001107881913 897422590 /nfs/dbraw/zinc/42/25/90/897422590.db2.gz NLQBTJBUKQNZIV-OCCSQVGLSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001107881913 897422596 /nfs/dbraw/zinc/42/25/96/897422596.db2.gz NLQBTJBUKQNZIV-OCCSQVGLSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929032 897504696 /nfs/dbraw/zinc/50/46/96/897504696.db2.gz MICZXXMZVCEYTP-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929032 897504709 /nfs/dbraw/zinc/50/47/09/897504709.db2.gz MICZXXMZVCEYTP-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCC2 ZINC001032435218 897569413 /nfs/dbraw/zinc/56/94/13/897569413.db2.gz KCERGWUZLNUKSL-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCC2 ZINC001032435218 897569425 /nfs/dbraw/zinc/56/94/25/897569425.db2.gz KCERGWUZLNUKSL-KBPBESRZSA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1OC ZINC001032473043 897611963 /nfs/dbraw/zinc/61/19/63/897611963.db2.gz YIEBILOWHFONCF-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1OC ZINC001032473043 897611971 /nfs/dbraw/zinc/61/19/71/897611971.db2.gz YIEBILOWHFONCF-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001032477906 897623220 /nfs/dbraw/zinc/62/32/20/897623220.db2.gz WFQVHOWAKUKDIU-KKUMJFAQSA-N 1 2 298.390 0.672 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001032477906 897623229 /nfs/dbraw/zinc/62/32/29/897623229.db2.gz WFQVHOWAKUKDIU-KKUMJFAQSA-N 1 2 298.390 0.672 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nccn2C1 ZINC001032484883 897636757 /nfs/dbraw/zinc/63/67/57/897636757.db2.gz QVMZHBUGOBFZHC-ILXRZTDVSA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nccn2C1 ZINC001032484883 897636771 /nfs/dbraw/zinc/63/67/71/897636771.db2.gz QVMZHBUGOBFZHC-ILXRZTDVSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccn1 ZINC001272792381 897680383 /nfs/dbraw/zinc/68/03/83/897680383.db2.gz CLWWFNSPDRHZTR-CHWSQXEVSA-N 1 2 270.336 0.675 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccn1 ZINC001272792381 897680395 /nfs/dbraw/zinc/68/03/95/897680395.db2.gz CLWWFNSPDRHZTR-CHWSQXEVSA-N 1 2 270.336 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)nnc1C ZINC001032539940 897721752 /nfs/dbraw/zinc/72/17/52/897721752.db2.gz LBQUVGRWKVEZDS-KBPBESRZSA-N 1 2 284.363 0.879 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)nnc1C ZINC001032539940 897721764 /nfs/dbraw/zinc/72/17/64/897721764.db2.gz LBQUVGRWKVEZDS-KBPBESRZSA-N 1 2 284.363 0.879 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2ccnc12 ZINC001032633259 897855236 /nfs/dbraw/zinc/85/52/36/897855236.db2.gz YFNDELLDVUHUMN-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2ccnc12 ZINC001032633259 897855240 /nfs/dbraw/zinc/85/52/40/897855240.db2.gz YFNDELLDVUHUMN-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(Cl)cn1 ZINC001032653640 897902320 /nfs/dbraw/zinc/90/23/20/897902320.db2.gz BFESBCLTXKZAFT-RYUDHWBXSA-N 1 2 278.743 0.455 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(Cl)cn1 ZINC001032653640 897902328 /nfs/dbraw/zinc/90/23/28/897902328.db2.gz BFESBCLTXKZAFT-RYUDHWBXSA-N 1 2 278.743 0.455 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001077859654 897991456 /nfs/dbraw/zinc/99/14/56/897991456.db2.gz QWNSOLRXVCZQHD-KCPJHIHWSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001077859654 897991464 /nfs/dbraw/zinc/99/14/64/897991464.db2.gz QWNSOLRXVCZQHD-KCPJHIHWSA-N 1 2 290.338 0.724 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001032726237 898017556 /nfs/dbraw/zinc/01/75/56/898017556.db2.gz GTPRLXIUZNNHPQ-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001032726237 898017570 /nfs/dbraw/zinc/01/75/70/898017570.db2.gz GTPRLXIUZNNHPQ-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001272858666 898084443 /nfs/dbraw/zinc/08/44/43/898084443.db2.gz CAMZSYUVOQIMFW-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001272858666 898084452 /nfs/dbraw/zinc/08/44/52/898084452.db2.gz CAMZSYUVOQIMFW-CQSZACIVSA-N 1 2 292.383 0.356 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001032754645 898097703 /nfs/dbraw/zinc/09/77/03/898097703.db2.gz KYZNYZJGJZNGRX-ILXRZTDVSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001032754645 898097716 /nfs/dbraw/zinc/09/77/16/898097716.db2.gz KYZNYZJGJZNGRX-ILXRZTDVSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001038536356 898097749 /nfs/dbraw/zinc/09/77/49/898097749.db2.gz KEKUOYMWDTZIKU-NSHDSACASA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001038536356 898097765 /nfs/dbraw/zinc/09/77/65/898097765.db2.gz KEKUOYMWDTZIKU-NSHDSACASA-N 1 2 283.335 0.704 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001272886515 898124197 /nfs/dbraw/zinc/12/41/97/898124197.db2.gz OFANNBHKEKJBMH-YIYPIFLZSA-N 1 2 285.351 0.745 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001272886515 898124203 /nfs/dbraw/zinc/12/42/03/898124203.db2.gz OFANNBHKEKJBMH-YIYPIFLZSA-N 1 2 285.351 0.745 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001077989688 898161842 /nfs/dbraw/zinc/16/18/42/898161842.db2.gz CQKIDRJUEBLOAK-ZIAGYGMSSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001077989688 898161853 /nfs/dbraw/zinc/16/18/53/898161853.db2.gz CQKIDRJUEBLOAK-ZIAGYGMSSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001078010711 898180005 /nfs/dbraw/zinc/18/00/05/898180005.db2.gz HCPLOMLKIQYNMJ-ZIAGYGMSSA-N 1 2 290.363 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001078010711 898180010 /nfs/dbraw/zinc/18/00/10/898180010.db2.gz HCPLOMLKIQYNMJ-ZIAGYGMSSA-N 1 2 290.363 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001078019315 898183550 /nfs/dbraw/zinc/18/35/50/898183550.db2.gz NJUCZOFVUHDIQJ-NWANDNLSSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001078019315 898183552 /nfs/dbraw/zinc/18/35/52/898183552.db2.gz NJUCZOFVUHDIQJ-NWANDNLSSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001078052781 898200382 /nfs/dbraw/zinc/20/03/82/898200382.db2.gz XUJZDSADVWILDA-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001078052781 898200400 /nfs/dbraw/zinc/20/04/00/898200400.db2.gz XUJZDSADVWILDA-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO CC(C)[C@H]([NH2+]CC(=O)NCCC#N)c1nncn1C ZINC001323546773 899460745 /nfs/dbraw/zinc/46/07/45/899460745.db2.gz XQRDYCRDHDDYTC-NSHDSACASA-N 1 2 264.333 0.132 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2conc2C)CC1 ZINC001197007545 900060258 /nfs/dbraw/zinc/06/02/58/900060258.db2.gz SVPULOQONSVKRZ-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2conc2C)CC1 ZINC001197007545 900060262 /nfs/dbraw/zinc/06/02/62/900060262.db2.gz SVPULOQONSVKRZ-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001487732444 900117644 /nfs/dbraw/zinc/11/76/44/900117644.db2.gz KGJDLCNIHKNNNA-LLVKDONJSA-N 1 2 294.355 0.118 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001488670922 900336904 /nfs/dbraw/zinc/33/69/04/900336904.db2.gz NDDVRBYZNBZYBT-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001488670922 900336910 /nfs/dbraw/zinc/33/69/10/900336910.db2.gz NDDVRBYZNBZYBT-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@H+](C)[C@H](C)c1nncn1C ZINC001490163849 900548015 /nfs/dbraw/zinc/54/80/15/900548015.db2.gz DGSHYMLLOSRGBI-GHMZBOCLSA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](C)[C@H](C)c1nncn1C ZINC001490163849 900548027 /nfs/dbraw/zinc/54/80/27/900548027.db2.gz DGSHYMLLOSRGBI-GHMZBOCLSA-N 1 2 278.360 0.474 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001490435171 900630470 /nfs/dbraw/zinc/63/04/70/900630470.db2.gz JOSPNMHSDHXFSL-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001490435171 900630475 /nfs/dbraw/zinc/63/04/75/900630475.db2.gz JOSPNMHSDHXFSL-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO CC[C@@H](C)C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001490481547 900637375 /nfs/dbraw/zinc/63/73/75/900637375.db2.gz FVQGEDFYELVFAR-OAHLLOKOSA-N 1 2 295.427 0.416 20 30 CCEDLO CC[C@@H](C)C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001490481547 900637379 /nfs/dbraw/zinc/63/73/79/900637379.db2.gz FVQGEDFYELVFAR-OAHLLOKOSA-N 1 2 295.427 0.416 20 30 CCEDLO C#CC[NH2+][C@H](CNC(=O)c1[nH]ncc1F)C1CC1 ZINC001490706190 900698205 /nfs/dbraw/zinc/69/82/05/900698205.db2.gz VXOLGMPGBUOWOH-SNVBAGLBSA-N 1 2 250.277 0.280 20 30 CCEDLO N#CC[C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC001411631564 901169923 /nfs/dbraw/zinc/16/99/23/901169923.db2.gz CYCNVHPNSCNNGL-HNNXBMFYSA-N 1 2 287.363 0.820 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCOCC1 ZINC001326781324 901892732 /nfs/dbraw/zinc/89/27/32/901892732.db2.gz MLMOTQNBVHKAAQ-SNVBAGLBSA-N 1 2 262.313 0.777 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCOCC1 ZINC001326781324 901892741 /nfs/dbraw/zinc/89/27/41/901892741.db2.gz MLMOTQNBVHKAAQ-SNVBAGLBSA-N 1 2 262.313 0.777 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1cnc(C#N)c(C#N)n1 ZINC001412869015 902313333 /nfs/dbraw/zinc/31/33/33/902313333.db2.gz JOPGLRRKVRYPHK-SNVBAGLBSA-N 1 2 272.312 0.353 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001493237509 903067738 /nfs/dbraw/zinc/06/77/38/903067738.db2.gz ILOODMUCMQMQKO-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C[N@@H+]1CCO[C@@H](COc2ccn3ncc(C#N)c3n2)C1 ZINC001230965864 903931372 /nfs/dbraw/zinc/93/13/72/903931372.db2.gz NLLXWIBCXTZPGI-LLVKDONJSA-N 1 2 273.296 0.310 20 30 CCEDLO C[N@H+]1CCO[C@@H](COc2ccn3ncc(C#N)c3n2)C1 ZINC001230965864 903931382 /nfs/dbraw/zinc/93/13/82/903931382.db2.gz NLLXWIBCXTZPGI-LLVKDONJSA-N 1 2 273.296 0.310 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC001327816166 914782405 /nfs/dbraw/zinc/78/24/05/914782405.db2.gz JMFJUGRWJKWDCY-JTQLQIEISA-N 1 2 298.306 0.293 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001316602216 904115913 /nfs/dbraw/zinc/11/59/13/904115913.db2.gz TUTYFZLAXQBKLA-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001316602216 904115916 /nfs/dbraw/zinc/11/59/16/904115916.db2.gz TUTYFZLAXQBKLA-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cnoc1 ZINC001316607070 904168429 /nfs/dbraw/zinc/16/84/29/904168429.db2.gz QOZFSVLALXGMKJ-CQSZACIVSA-N 1 2 291.351 0.400 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cnoc1 ZINC001316607070 904168439 /nfs/dbraw/zinc/16/84/39/904168439.db2.gz QOZFSVLALXGMKJ-CQSZACIVSA-N 1 2 291.351 0.400 20 30 CCEDLO Cc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001398693000 914788679 /nfs/dbraw/zinc/78/86/79/914788679.db2.gz SGXVRFHVRPZDNY-JQWIXIFHSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001398693000 914788689 /nfs/dbraw/zinc/78/86/89/914788689.db2.gz SGXVRFHVRPZDNY-JQWIXIFHSA-N 1 2 291.355 0.866 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282442029 904478383 /nfs/dbraw/zinc/47/83/83/904478383.db2.gz BPMBRNICAZILPH-SNVBAGLBSA-N 1 2 295.387 0.257 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001282442029 904478390 /nfs/dbraw/zinc/47/83/90/904478390.db2.gz BPMBRNICAZILPH-SNVBAGLBSA-N 1 2 295.387 0.257 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001377382673 904820080 /nfs/dbraw/zinc/82/00/80/904820080.db2.gz LDQKGEHTUCPXMX-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001377382673 904820091 /nfs/dbraw/zinc/82/00/91/904820091.db2.gz LDQKGEHTUCPXMX-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001284009992 905118359 /nfs/dbraw/zinc/11/83/59/905118359.db2.gz DANVMRWLPLLPAC-ZDUSSCGKSA-N 1 2 288.351 0.260 20 30 CCEDLO C#CC[N@@H+](C)CCN(C(=O)CCc1nc[nH]n1)C(C)C ZINC001284529813 905363010 /nfs/dbraw/zinc/36/30/10/905363010.db2.gz HMPLLOHTTLWKAN-UHFFFAOYSA-N 1 2 277.372 0.539 20 30 CCEDLO C#CC[N@H+](C)CCN(C(=O)CCc1nc[nH]n1)C(C)C ZINC001284529813 905363024 /nfs/dbraw/zinc/36/30/24/905363024.db2.gz HMPLLOHTTLWKAN-UHFFFAOYSA-N 1 2 277.372 0.539 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285747722 905752635 /nfs/dbraw/zinc/75/26/35/905752635.db2.gz YQKYDQYLNAKUQL-LBPRGKRZSA-N 1 2 276.340 0.163 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285747331 905753887 /nfs/dbraw/zinc/75/38/87/905753887.db2.gz QWSLGRKBSMVPTC-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001379354615 906182526 /nfs/dbraw/zinc/18/25/26/906182526.db2.gz VEBXHEUMSJELOT-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CCN1CCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001495870981 907557932 /nfs/dbraw/zinc/55/79/32/907557932.db2.gz QKMZEMZZGOGXAS-KBPBESRZSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1=COCCC1 ZINC001492214524 907769011 /nfs/dbraw/zinc/76/90/11/907769011.db2.gz WFZKBEUZJUAAAH-UHFFFAOYSA-N 1 2 281.356 0.031 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1=COCCC1 ZINC001492214524 907769016 /nfs/dbraw/zinc/76/90/16/907769016.db2.gz WFZKBEUZJUAAAH-UHFFFAOYSA-N 1 2 281.356 0.031 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001492218274 907770061 /nfs/dbraw/zinc/77/00/61/907770061.db2.gz QXCNPNGTSWZWMB-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001492224229 907776950 /nfs/dbraw/zinc/77/69/50/907776950.db2.gz YADHIYPTMYQAAW-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001492224229 907776957 /nfs/dbraw/zinc/77/69/57/907776957.db2.gz YADHIYPTMYQAAW-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCOC[C@H]1C ZINC001492407717 907911490 /nfs/dbraw/zinc/91/14/90/907911490.db2.gz ZKDWTPOOUIVENU-CHWSQXEVSA-N 1 2 297.399 0.009 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCOC[C@H]1C ZINC001492407717 907911498 /nfs/dbraw/zinc/91/14/98/907911498.db2.gz ZKDWTPOOUIVENU-CHWSQXEVSA-N 1 2 297.399 0.009 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001317240209 907989124 /nfs/dbraw/zinc/98/91/24/907989124.db2.gz VSFRZOJXGZYVBU-NSHDSACASA-N 1 2 278.356 0.886 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001385339956 908404756 /nfs/dbraw/zinc/40/47/56/908404756.db2.gz PFOIPEGJPCMBPT-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[N@@H+](C)CCN(CC)S(=O)(=O)N=S(C)(C)=O ZINC001309664318 908468977 /nfs/dbraw/zinc/46/89/77/908468977.db2.gz JFCAENNFKGRIQD-UHFFFAOYSA-N 1 2 297.446 0.399 20 30 CCEDLO C=CC[N@H+](C)CCN(CC)S(=O)(=O)N=S(C)(C)=O ZINC001309664318 908468989 /nfs/dbraw/zinc/46/89/89/908468989.db2.gz JFCAENNFKGRIQD-UHFFFAOYSA-N 1 2 297.446 0.399 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001316939237 908692631 /nfs/dbraw/zinc/69/26/31/908692631.db2.gz FAIKBCXMYGPKBM-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001316939237 908692640 /nfs/dbraw/zinc/69/26/40/908692640.db2.gz FAIKBCXMYGPKBM-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CC(N)=O ZINC001316815788 908740975 /nfs/dbraw/zinc/74/09/75/908740975.db2.gz HURNZXTUCUHSDJ-UHFFFAOYSA-N 1 2 292.177 0.209 20 30 CCEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CC(N)=O ZINC001316815788 908740992 /nfs/dbraw/zinc/74/09/92/908740992.db2.gz HURNZXTUCUHSDJ-UHFFFAOYSA-N 1 2 292.177 0.209 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001316936664 908852943 /nfs/dbraw/zinc/85/29/43/908852943.db2.gz CCHCVHCAZFDHAC-GFCCVEGCSA-N 1 2 278.356 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001316936664 908852958 /nfs/dbraw/zinc/85/29/58/908852958.db2.gz CCHCVHCAZFDHAC-GFCCVEGCSA-N 1 2 278.356 0.007 20 30 CCEDLO CO[C@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001316966084 908874218 /nfs/dbraw/zinc/87/42/18/908874218.db2.gz XFCORIKLWKVQBD-AWEZNQCLSA-N 1 2 294.399 0.059 20 30 CCEDLO C[C@H](CC(=O)N[C@H]1C[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC001317120779 908994788 /nfs/dbraw/zinc/99/47/88/908994788.db2.gz HMKIGPXFUQNVSZ-UTUOFQBUSA-N 1 2 261.329 0.595 20 30 CCEDLO N#CCN1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317177197 909031629 /nfs/dbraw/zinc/03/16/29/909031629.db2.gz PXNHOFDYLGYZRG-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001387090702 909033387 /nfs/dbraw/zinc/03/33/87/909033387.db2.gz ZPSDLLPZPLYLED-MNOVXSKESA-N 1 2 291.355 0.133 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001317458809 909238751 /nfs/dbraw/zinc/23/87/51/909238751.db2.gz GWHYXNVMCTYFBI-UHFFFAOYSA-N 1 2 259.737 0.052 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001317458809 909238766 /nfs/dbraw/zinc/23/87/66/909238766.db2.gz GWHYXNVMCTYFBI-UHFFFAOYSA-N 1 2 259.737 0.052 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(C)n1 ZINC001317438766 909197244 /nfs/dbraw/zinc/19/72/44/909197244.db2.gz HEYQEGIHOKIMMB-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(C)n1 ZINC001317438766 909197258 /nfs/dbraw/zinc/19/72/58/909197258.db2.gz HEYQEGIHOKIMMB-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC001317465822 909243680 /nfs/dbraw/zinc/24/36/80/909243680.db2.gz GGVPHWQHVYUQTR-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC001317465822 909243692 /nfs/dbraw/zinc/24/36/92/909243692.db2.gz GGVPHWQHVYUQTR-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CCOCCC(=O)N(C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001317585423 909388672 /nfs/dbraw/zinc/38/86/72/909388672.db2.gz BHGSGPCXKYWECK-UHFFFAOYSA-N 1 2 293.367 0.879 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C(C)(C)COC)CC1 ZINC001317820526 909509571 /nfs/dbraw/zinc/50/95/71/909509571.db2.gz TWBOBFLECQCQRT-UHFFFAOYSA-N 1 2 297.443 0.921 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)COC(C)C)CC1 ZINC001317816227 909511247 /nfs/dbraw/zinc/51/12/47/909511247.db2.gz AVGHWFTXDQEZQQ-UHFFFAOYSA-N 1 2 283.416 0.673 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001317926729 909544521 /nfs/dbraw/zinc/54/45/21/909544521.db2.gz QHXQAADLTACVSF-TZMCWYRMSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001317926729 909544531 /nfs/dbraw/zinc/54/45/31/909544531.db2.gz QHXQAADLTACVSF-TZMCWYRMSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001318149221 909643916 /nfs/dbraw/zinc/64/39/16/909643916.db2.gz FPDWANCMWGOGCY-INIZCTEOSA-N 1 2 293.411 0.939 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001318253174 909676679 /nfs/dbraw/zinc/67/66/79/909676679.db2.gz MUWLORFWJUIZGQ-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001318253174 909676686 /nfs/dbraw/zinc/67/66/86/909676686.db2.gz MUWLORFWJUIZGQ-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](O)C[N@@H+]3C)n2C)C1 ZINC001338583377 921516983 /nfs/dbraw/zinc/51/69/83/921516983.db2.gz PHLLNTIPEQTYOZ-JHJVBQTASA-N 1 2 289.383 0.402 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](O)C[N@H+]3C)n2C)C1 ZINC001338583377 921516997 /nfs/dbraw/zinc/51/69/97/921516997.db2.gz PHLLNTIPEQTYOZ-JHJVBQTASA-N 1 2 289.383 0.402 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001318421268 909746895 /nfs/dbraw/zinc/74/68/95/909746895.db2.gz DNGFIFOIUSMTAU-VXGBXAGGSA-N 1 2 283.347 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001318421268 909746906 /nfs/dbraw/zinc/74/69/06/909746906.db2.gz DNGFIFOIUSMTAU-VXGBXAGGSA-N 1 2 283.347 0.017 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)CC)C1 ZINC001318477798 909774486 /nfs/dbraw/zinc/77/44/86/909774486.db2.gz IIQZCLWSBYRVAE-OLZOCXBDSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)CC)C1 ZINC001318477798 909774494 /nfs/dbraw/zinc/77/44/94/909774494.db2.gz IIQZCLWSBYRVAE-OLZOCXBDSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC(F)(F)F)C1 ZINC001319298126 910080422 /nfs/dbraw/zinc/08/04/22/910080422.db2.gz UHMDNRSDCHJBCB-SECBINFHSA-N 1 2 266.263 0.942 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC(F)(F)F)C1 ZINC001319298126 910080431 /nfs/dbraw/zinc/08/04/31/910080431.db2.gz UHMDNRSDCHJBCB-SECBINFHSA-N 1 2 266.263 0.942 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001319309499 910085657 /nfs/dbraw/zinc/08/56/57/910085657.db2.gz KZIFWGGYLSUPJD-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001319309499 910085672 /nfs/dbraw/zinc/08/56/72/910085672.db2.gz KZIFWGGYLSUPJD-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001319320733 910095901 /nfs/dbraw/zinc/09/59/01/910095901.db2.gz YIONGUXOTGBDAS-AAEUAGOBSA-N 1 2 272.320 0.118 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001319320733 910095912 /nfs/dbraw/zinc/09/59/12/910095912.db2.gz YIONGUXOTGBDAS-AAEUAGOBSA-N 1 2 272.320 0.118 20 30 CCEDLO CN(CC#N)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320019377 910416856 /nfs/dbraw/zinc/41/68/56/910416856.db2.gz AJSCUTPBHBEFBX-LBPRGKRZSA-N 1 2 275.356 0.359 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCO[C@@H]1C ZINC001320067804 910446830 /nfs/dbraw/zinc/44/68/30/910446830.db2.gz VSXFXHMQYGYICO-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCO[C@@H]1C ZINC001320067804 910446841 /nfs/dbraw/zinc/44/68/41/910446841.db2.gz VSXFXHMQYGYICO-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001390767316 910660858 /nfs/dbraw/zinc/66/08/58/910660858.db2.gz ONUSETFMBGOJAW-UHFFFAOYSA-N 1 2 294.746 0.767 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001390767316 910660870 /nfs/dbraw/zinc/66/08/70/910660870.db2.gz ONUSETFMBGOJAW-UHFFFAOYSA-N 1 2 294.746 0.767 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001390803113 910693923 /nfs/dbraw/zinc/69/39/23/910693923.db2.gz VMRFDHRARHUXTP-CYBMUJFWSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001390803113 910693930 /nfs/dbraw/zinc/69/39/30/910693930.db2.gz VMRFDHRARHUXTP-CYBMUJFWSA-N 1 2 287.791 0.703 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001320774148 910862190 /nfs/dbraw/zinc/86/21/90/910862190.db2.gz XPKOWPOYHMKOQR-OUAUKWLOSA-N 1 2 267.329 0.202 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001320774148 910862197 /nfs/dbraw/zinc/86/21/97/910862197.db2.gz XPKOWPOYHMKOQR-OUAUKWLOSA-N 1 2 267.329 0.202 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001391207392 910965365 /nfs/dbraw/zinc/96/53/65/910965365.db2.gz FGANKMFLROVHJA-NXEZZACHSA-N 1 2 279.344 0.901 20 30 CCEDLO Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N ZINC001320998228 910997974 /nfs/dbraw/zinc/99/79/74/910997974.db2.gz NHLPNRNFOLGSHF-HMDXOVGESA-N 1 2 262.313 0.905 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001323181337 912160140 /nfs/dbraw/zinc/16/01/40/912160140.db2.gz LQBSYACQFPBHTK-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001323181337 912160145 /nfs/dbraw/zinc/16/01/45/912160145.db2.gz LQBSYACQFPBHTK-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323228737 912203175 /nfs/dbraw/zinc/20/31/75/912203175.db2.gz YVWSCVLAXWOZCX-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323228737 912203195 /nfs/dbraw/zinc/20/31/95/912203195.db2.gz YVWSCVLAXWOZCX-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001323231907 912204917 /nfs/dbraw/zinc/20/49/17/912204917.db2.gz MELXNNWINOLPNN-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001323231907 912204933 /nfs/dbraw/zinc/20/49/33/912204933.db2.gz MELXNNWINOLPNN-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328105107 914969976 /nfs/dbraw/zinc/96/99/76/914969976.db2.gz JFFVYTXISPWMEJ-NSHDSACASA-N 1 2 297.380 0.163 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC)CC1 ZINC001339487998 921736116 /nfs/dbraw/zinc/73/61/16/921736116.db2.gz AWLTULBVUGDTDF-QWHCGFSZSA-N 1 2 284.367 0.680 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001328288408 915081176 /nfs/dbraw/zinc/08/11/76/915081176.db2.gz HCZUCHOUGCHHSI-CYBMUJFWSA-N 1 2 283.335 0.592 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001399417818 915160749 /nfs/dbraw/zinc/16/07/49/915160749.db2.gz ITVJUADTVRMBRR-UWVGGRQHSA-N 1 2 291.355 0.289 20 30 CCEDLO C[N@H+](CCNC(=O)Cc1nc[nH]n1)Cc1ccccc1C#N ZINC001399636354 915278009 /nfs/dbraw/zinc/27/80/09/915278009.db2.gz VMUOIJOHVZJKAF-UHFFFAOYSA-N 1 2 298.350 0.467 20 30 CCEDLO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)Cc1ccccc1C#N ZINC001399636354 915278016 /nfs/dbraw/zinc/27/80/16/915278016.db2.gz VMUOIJOHVZJKAF-UHFFFAOYSA-N 1 2 298.350 0.467 20 30 CCEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001328645737 915327864 /nfs/dbraw/zinc/32/78/64/915327864.db2.gz VYRDLUDHNFEEGC-QMMMGPOBSA-N 1 2 256.269 0.679 20 30 CCEDLO C#CCn1cc(CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001328676153 915353457 /nfs/dbraw/zinc/35/34/57/915353457.db2.gz IDGXWHPEJGJWEZ-UHFFFAOYSA-N 1 2 257.297 0.109 20 30 CCEDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)nn1 ZINC001400464548 915760888 /nfs/dbraw/zinc/76/08/88/915760888.db2.gz HONJLFJRHVVMBF-SNVBAGLBSA-N 1 2 289.339 0.193 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cncc(F)c2)C1 ZINC001329652120 916099415 /nfs/dbraw/zinc/09/94/15/916099415.db2.gz QABLAVPZQHJWIG-UHFFFAOYSA-N 1 2 291.326 0.411 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001329838242 916214136 /nfs/dbraw/zinc/21/41/36/916214136.db2.gz YCRTXOUOIXFCJF-INIZCTEOSA-N 1 2 295.427 0.552 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)/C(C)=C/C)C1 ZINC001329983300 916336673 /nfs/dbraw/zinc/33/66/73/916336673.db2.gz HSXBBHMFNCMLOU-BCMYLCSRSA-N 1 2 277.368 0.139 20 30 CCEDLO C[C@@H](NC(=O)C1CC=CC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001329984463 916336963 /nfs/dbraw/zinc/33/69/63/916336963.db2.gz MPHKUURUNXFUFV-LLVKDONJSA-N 1 2 290.367 0.029 20 30 CCEDLO C[C@@H](C[NH2+]Cc1nc(CC2CC2)no1)NC(=O)[C@@H](C)C#N ZINC001401677009 916464567 /nfs/dbraw/zinc/46/45/67/916464567.db2.gz VMQHHAFWRPWECN-UWVGGRQHSA-N 1 2 291.355 0.776 20 30 CCEDLO Cc1cc(NC(=O)N2CC(O)(CC#N)C2)c(C)c[nH+]1 ZINC001330731465 916820697 /nfs/dbraw/zinc/82/06/97/916820697.db2.gz VWRANBFWBGQMCM-UHFFFAOYSA-N 1 2 260.297 0.613 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001330851354 916916616 /nfs/dbraw/zinc/91/66/16/916916616.db2.gz MMMNPAZFPYPXNL-STQMWFEESA-N 1 2 289.383 0.844 20 30 CCEDLO CC#CC[N@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001331123041 917105545 /nfs/dbraw/zinc/10/55/45/917105545.db2.gz PAKDQEREOJBFOJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001331123041 917105558 /nfs/dbraw/zinc/10/55/58/917105558.db2.gz PAKDQEREOJBFOJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@H+](C)CCOCCNC(=O)[C@@H](F)C(F)(F)F ZINC001331123041 917105570 /nfs/dbraw/zinc/10/55/70/917105570.db2.gz PAKDQEREOJBFOJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H](F)C(F)(F)F ZINC001331123041 917105578 /nfs/dbraw/zinc/10/55/78/917105578.db2.gz PAKDQEREOJBFOJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403174316 917558516 /nfs/dbraw/zinc/55/85/16/917558516.db2.gz SHWPNKMCOGJDCC-SECBINFHSA-N 1 2 284.747 0.573 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403174316 917558531 /nfs/dbraw/zinc/55/85/31/917558531.db2.gz SHWPNKMCOGJDCC-SECBINFHSA-N 1 2 284.747 0.573 20 30 CCEDLO COc1cc(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)on1 ZINC001403297137 917638960 /nfs/dbraw/zinc/63/89/60/917638960.db2.gz MLHXAHMAGBNSLU-NXEZZACHSA-N 1 2 292.339 0.779 20 30 CCEDLO N#C[C@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001332368701 918096058 /nfs/dbraw/zinc/09/60/58/918096058.db2.gz ZXIYLPZSEDFHCO-HTQZYQBOSA-N 1 2 276.218 0.377 20 30 CCEDLO N#C[C@H]1CCCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001332567148 918280831 /nfs/dbraw/zinc/28/08/31/918280831.db2.gz FVZDLTKVHXUEMP-GFCCVEGCSA-N 1 2 289.339 0.152 20 30 CCEDLO C=CCC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)[O-] ZINC001333123939 918669711 /nfs/dbraw/zinc/66/97/11/918669711.db2.gz DENRMEYAESWHCO-NSHDSACASA-N 1 2 266.345 0.995 20 30 CCEDLO C=CCC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)[O-] ZINC001333123938 918671285 /nfs/dbraw/zinc/67/12/85/918671285.db2.gz DENRMEYAESWHCO-LLVKDONJSA-N 1 2 266.345 0.995 20 30 CCEDLO C#CCC1([NH2+]Cc2noc(COC)n2)CCOCC1 ZINC001333473965 918936401 /nfs/dbraw/zinc/93/64/01/918936401.db2.gz CQBWIVUXUATRNV-UHFFFAOYSA-N 1 2 265.313 0.878 20 30 CCEDLO CC(C)c1noc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001406452226 919277280 /nfs/dbraw/zinc/27/72/80/919277280.db2.gz DMQSJDXBENZHEM-ZJUUUORDSA-N 1 2 279.344 0.947 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)c1cn[nH]n1 ZINC001406601677 919381962 /nfs/dbraw/zinc/38/19/62/919381962.db2.gz JTXVUAIYDHLNKD-LLVKDONJSA-N 1 2 298.350 0.927 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)c1cn[nH]n1 ZINC001406601677 919381978 /nfs/dbraw/zinc/38/19/78/919381978.db2.gz JTXVUAIYDHLNKD-LLVKDONJSA-N 1 2 298.350 0.927 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406652359 919411332 /nfs/dbraw/zinc/41/13/32/919411332.db2.gz LYSPGOVPUIYTNW-NXEZZACHSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406652359 919411339 /nfs/dbraw/zinc/41/13/39/919411339.db2.gz LYSPGOVPUIYTNW-NXEZZACHSA-N 1 2 288.779 0.199 20 30 CCEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H](O)CC#N)C1 ZINC001334209246 919424820 /nfs/dbraw/zinc/42/48/20/919424820.db2.gz ZSTPKXNLVNYWAC-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H](O)CC#N)C1 ZINC001334209246 919424834 /nfs/dbraw/zinc/42/48/34/919424834.db2.gz ZSTPKXNLVNYWAC-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CCCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H](C)C#N ZINC001415808452 920831904 /nfs/dbraw/zinc/83/19/04/920831904.db2.gz ZUOVNEORPOSTHK-LBPRGKRZSA-N 1 2 291.355 0.398 20 30 CCEDLO N#CCNCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC001336894804 921089409 /nfs/dbraw/zinc/08/94/09/921089409.db2.gz AGRJNJXDZGYGRN-UHFFFAOYSA-N 1 2 281.270 0.401 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC001341258152 922401828 /nfs/dbraw/zinc/40/18/28/922401828.db2.gz QRYIMDIJCXNGHL-UHFFFAOYSA-N 1 2 294.376 0.629 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC001341258152 922401838 /nfs/dbraw/zinc/40/18/38/922401838.db2.gz QRYIMDIJCXNGHL-UHFFFAOYSA-N 1 2 294.376 0.629 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001419016452 922575612 /nfs/dbraw/zinc/57/56/12/922575612.db2.gz ICPYLNUIOWQOGD-LLVKDONJSA-N 1 2 285.775 0.313 20 30 CCEDLO C#CC1CCN(c2nnc([C@@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001341720292 922645093 /nfs/dbraw/zinc/64/50/93/922645093.db2.gz SXMZKOFVZPIRSI-STQMWFEESA-N 1 2 289.383 0.402 20 30 CCEDLO C#CC1CCN(c2nnc([C@@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001341720292 922645101 /nfs/dbraw/zinc/64/51/01/922645101.db2.gz SXMZKOFVZPIRSI-STQMWFEESA-N 1 2 289.383 0.402 20 30 CCEDLO C=CCNC(=O)C[NH2+]C1(c2ncccn2)CCOCC1 ZINC001342148828 922831340 /nfs/dbraw/zinc/83/13/40/922831340.db2.gz RVSZBSNZCNSAFA-UHFFFAOYSA-N 1 2 276.340 0.374 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1n[nH]nc1C ZINC001419991664 923217496 /nfs/dbraw/zinc/21/74/96/923217496.db2.gz KBKSBEPARNNMGS-UHFFFAOYSA-N 1 2 271.752 0.869 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1n[nH]nc1C ZINC001419991664 923217504 /nfs/dbraw/zinc/21/75/04/923217504.db2.gz KBKSBEPARNNMGS-UHFFFAOYSA-N 1 2 271.752 0.869 20 30 CCEDLO CCn1cc(CC[NH+]2CC(N(C)C(=O)[C@H](C)C#N)C2)cn1 ZINC001421049451 924117298 /nfs/dbraw/zinc/11/72/98/924117298.db2.gz HGMDCUOYTWJUCI-GFCCVEGCSA-N 1 2 289.383 0.748 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346766911 924306810 /nfs/dbraw/zinc/30/68/10/924306810.db2.gz MXXYNAWHGQUPPD-OLZOCXBDSA-N 1 2 268.405 0.838 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346766911 924306816 /nfs/dbraw/zinc/30/68/16/924306816.db2.gz MXXYNAWHGQUPPD-OLZOCXBDSA-N 1 2 268.405 0.838 20 30 CCEDLO C=CCC1(O)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001350582304 925230827 /nfs/dbraw/zinc/23/08/27/925230827.db2.gz CQMPSGYYBSMFID-UHFFFAOYSA-N 1 2 275.352 0.911 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001350817598 925287972 /nfs/dbraw/zinc/28/79/72/925287972.db2.gz DTEVNSKWQOPSEE-LBPRGKRZSA-N 1 2 273.336 0.432 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CO)n2CC=C)CC1 ZINC001351938849 925496289 /nfs/dbraw/zinc/49/62/89/925496289.db2.gz RRYAJZJDZHYSQL-ZDUSSCGKSA-N 1 2 289.383 0.315 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480460354 925781189 /nfs/dbraw/zinc/78/11/89/925781189.db2.gz TZDIWZXHWYCYED-WDEREUQCSA-N 1 2 294.355 0.265 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC=NO3)n2C)CC1 ZINC001355570074 926285964 /nfs/dbraw/zinc/28/59/64/926285964.db2.gz FSAZOQVEYQROMN-LLVKDONJSA-N 1 2 274.328 0.018 20 30 CCEDLO N#CCC[C@@H](C#N)CNC1CC([NH+]2CCOCC2)C1 ZINC001356619800 926412120 /nfs/dbraw/zinc/41/21/20/926412120.db2.gz UPDBXOYXGTVYKK-HSBZDZAISA-N 1 2 262.357 0.883 20 30 CCEDLO C=CCCC(=O)N(C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001357178809 926493410 /nfs/dbraw/zinc/49/34/10/926493410.db2.gz AOXQUXYBRKFJGF-UHFFFAOYSA-N 1 2 278.356 0.766 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001422153199 927106555 /nfs/dbraw/zinc/10/65/55/927106555.db2.gz REZCEFIUYWJVSH-UHFFFAOYSA-N 1 2 283.763 0.815 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001422153199 927106561 /nfs/dbraw/zinc/10/65/61/927106561.db2.gz REZCEFIUYWJVSH-UHFFFAOYSA-N 1 2 283.763 0.815 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC001362110567 927624391 /nfs/dbraw/zinc/62/43/91/927624391.db2.gz NSZMMSNYZWNAGZ-AWEZNQCLSA-N 1 2 289.383 0.953 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362267382 927803277 /nfs/dbraw/zinc/80/32/77/927803277.db2.gz IVOCVPABPCSHQK-DOMZBBRYSA-N 1 2 293.367 0.822 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cn(C)nn2)CC1 ZINC001423499404 927892639 /nfs/dbraw/zinc/89/26/39/927892639.db2.gz DGVJPPLKVKLPCA-LLVKDONJSA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001423554801 927917760 /nfs/dbraw/zinc/91/77/60/927917760.db2.gz XLGLKMAZAFDMTB-ZWNOBZJWSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001423554801 927917771 /nfs/dbraw/zinc/91/77/71/927917771.db2.gz XLGLKMAZAFDMTB-ZWNOBZJWSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001372301524 929805366 /nfs/dbraw/zinc/80/53/66/929805366.db2.gz MIJGXMVCIBMMHH-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001373315421 930135436 /nfs/dbraw/zinc/13/54/36/930135436.db2.gz QPCIQEBFQTZNCQ-NXEZZACHSA-N 1 2 291.355 0.431 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001373512251 930229884 /nfs/dbraw/zinc/22/98/84/930229884.db2.gz IYDQVSLWXFLHEH-LLVKDONJSA-N 1 2 299.802 0.703 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687082 930298809 /nfs/dbraw/zinc/29/88/09/930298809.db2.gz BCWXPFSSGNABPH-JTQLQIEISA-N 1 2 288.779 0.330 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687082 930298812 /nfs/dbraw/zinc/29/88/12/930298812.db2.gz BCWXPFSSGNABPH-JTQLQIEISA-N 1 2 288.779 0.330 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001375030261 930771570 /nfs/dbraw/zinc/77/15/70/930771570.db2.gz FDKSWADIMYJISU-BDAKNGLRSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001375030261 930771573 /nfs/dbraw/zinc/77/15/73/930771573.db2.gz FDKSWADIMYJISU-BDAKNGLRSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2coc(C)n2)C1 ZINC001376035901 931030888 /nfs/dbraw/zinc/03/08/88/931030888.db2.gz LQGLLSSPHVTDES-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2coc(C)n2)C1 ZINC001376035901 931030896 /nfs/dbraw/zinc/03/08/96/931030896.db2.gz LQGLLSSPHVTDES-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC001451125066 931385815 /nfs/dbraw/zinc/38/58/15/931385815.db2.gz RENPCSMSORZHBG-MWLCHTKSSA-N 1 2 291.355 0.431 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091865460 349478038 /nfs/dbraw/zinc/47/80/38/349478038.db2.gz WFGVCTFENSQTPO-JTQLQIEISA-N 1 2 262.338 0.829 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091865460 349478042 /nfs/dbraw/zinc/47/80/42/349478042.db2.gz WFGVCTFENSQTPO-JTQLQIEISA-N 1 2 262.338 0.829 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092068525 349482439 /nfs/dbraw/zinc/48/24/39/349482439.db2.gz JHHONWMWMGBEGP-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092068525 349482443 /nfs/dbraw/zinc/48/24/43/349482443.db2.gz JHHONWMWMGBEGP-NSHDSACASA-N 1 2 285.394 0.743 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCOCCC#N)C1 ZINC000599580946 361751439 /nfs/dbraw/zinc/75/14/39/361751439.db2.gz JXKZJTAAWROVOJ-VXGBXAGGSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCOCCC#N)C1 ZINC000599580946 361751443 /nfs/dbraw/zinc/75/14/43/361751443.db2.gz JXKZJTAAWROVOJ-VXGBXAGGSA-N 1 2 298.339 0.343 20 30 CCEDLO N#Cc1ccccc1C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647567 361771794 /nfs/dbraw/zinc/77/17/94/361771794.db2.gz QHNYXRBZTHQEGT-UHFFFAOYSA-N 1 2 294.380 0.316 20 30 CCEDLO COC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691384 361789955 /nfs/dbraw/zinc/78/99/55/361789955.db2.gz ASWACJKJVBWHAZ-GXTWGEPZSA-N 1 2 295.383 0.675 20 30 CCEDLO COC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691384 361789961 /nfs/dbraw/zinc/78/99/61/361789961.db2.gz ASWACJKJVBWHAZ-GXTWGEPZSA-N 1 2 295.383 0.675 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000599931114 361832807 /nfs/dbraw/zinc/83/28/07/361832807.db2.gz VPRDKYAPWLINPN-CYBMUJFWSA-N 1 2 281.319 0.823 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)ccc1C#N ZINC000600208359 361890309 /nfs/dbraw/zinc/89/03/09/361890309.db2.gz KUANUGYIHLHLQE-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)ccc1C#N ZINC000600208359 361890313 /nfs/dbraw/zinc/89/03/13/361890313.db2.gz KUANUGYIHLHLQE-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO C[N@H+](CCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000112478290 349780067 /nfs/dbraw/zinc/78/00/67/349780067.db2.gz AVAHJXDUALKHFW-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO C[N@@H+](CCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000112478290 349780071 /nfs/dbraw/zinc/78/00/71/349780071.db2.gz AVAHJXDUALKHFW-UHFFFAOYSA-N 1 2 282.365 0.913 20 30 CCEDLO N#Cc1cc(N2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000157748085 136396069 /nfs/dbraw/zinc/39/60/69/136396069.db2.gz WMYWRZGOUVXRKW-UHFFFAOYSA-N 1 2 289.295 0.074 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 ZINC000329086072 529782089 /nfs/dbraw/zinc/78/20/89/529782089.db2.gz GQIRLYDYWNULAL-VIFPVBQESA-N 1 2 291.311 0.070 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 ZINC000329086072 529782091 /nfs/dbraw/zinc/78/20/91/529782091.db2.gz GQIRLYDYWNULAL-VIFPVBQESA-N 1 2 291.311 0.070 20 30 CCEDLO CC(C)[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(N)=O ZINC000115599760 349859279 /nfs/dbraw/zinc/85/92/79/349859279.db2.gz QDSQDOZXQACXCI-RYUDHWBXSA-N 1 2 274.324 0.184 20 30 CCEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330275718 529854836 /nfs/dbraw/zinc/85/48/36/529854836.db2.gz LXDMLJLXWWBHOF-LLVKDONJSA-N 1 2 278.356 0.959 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(C#N)cc1F ZINC000413184872 529959851 /nfs/dbraw/zinc/95/98/51/529959851.db2.gz YWYKKMFJEBTOFA-LBPRGKRZSA-N 1 2 294.330 0.222 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000602200784 362554742 /nfs/dbraw/zinc/55/47/42/362554742.db2.gz SOLPNMOGQJXBCX-GFCCVEGCSA-N 1 2 287.367 0.572 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000602200784 362554747 /nfs/dbraw/zinc/55/47/47/362554747.db2.gz SOLPNMOGQJXBCX-GFCCVEGCSA-N 1 2 287.367 0.572 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602758033 362787504 /nfs/dbraw/zinc/78/75/04/362787504.db2.gz HWDZYUBCYAJPGC-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO N#CCCN1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602801683 362809132 /nfs/dbraw/zinc/80/91/32/362809132.db2.gz YYMKYJVRHKSQJQ-AWEZNQCLSA-N 1 2 276.384 0.671 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@H](C)N1CC#N ZINC000602848797 362836447 /nfs/dbraw/zinc/83/64/47/362836447.db2.gz IJUDLUYLDJVNIL-STQMWFEESA-N 1 2 289.383 0.467 20 30 CCEDLO CCOCCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602861861 362847124 /nfs/dbraw/zinc/84/71/24/362847124.db2.gz MGDYDFCDJRXXDA-CHWSQXEVSA-N 1 2 282.388 0.057 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H](C)N1CC#N ZINC000602858253 362843371 /nfs/dbraw/zinc/84/33/71/362843371.db2.gz QOOSWDCLUKIHFC-BETUJISGSA-N 1 2 278.400 0.821 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H](C)N1CC#N ZINC000602858253 362843375 /nfs/dbraw/zinc/84/33/75/362843375.db2.gz QOOSWDCLUKIHFC-BETUJISGSA-N 1 2 278.400 0.821 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@@H](C)N1CC#N ZINC000602857109 362843975 /nfs/dbraw/zinc/84/39/75/362843975.db2.gz OSEPFEHISRKQRI-CHWSQXEVSA-N 1 2 278.400 0.963 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000007923897 348009491 /nfs/dbraw/zinc/00/94/91/348009491.db2.gz ZLVQBPPREZXVTH-SWLSCSKDSA-N 1 2 296.415 0.886 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000007923897 348009493 /nfs/dbraw/zinc/00/94/93/348009493.db2.gz ZLVQBPPREZXVTH-SWLSCSKDSA-N 1 2 296.415 0.886 20 30 CCEDLO COC(=O)C1(NC(=O)C[NH2+][C@H](C)CC#N)CCCCC1 ZINC000602867893 362850667 /nfs/dbraw/zinc/85/06/67/362850667.db2.gz FNJFJVWJDVKVNP-LLVKDONJSA-N 1 2 281.356 0.870 20 30 CCEDLO CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257737 348084332 /nfs/dbraw/zinc/08/43/32/348084332.db2.gz QIRXYXFUEISEOV-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257737 348084335 /nfs/dbraw/zinc/08/43/35/348084335.db2.gz QIRXYXFUEISEOV-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](OC)C[C@@]2(C)C(=O)OC)C1=O ZINC000602945882 362902987 /nfs/dbraw/zinc/90/29/87/362902987.db2.gz SLLQRRAJIGKZDA-HUBLWGQQSA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](OC)C[C@@]2(C)C(=O)OC)C1=O ZINC000602945882 362902991 /nfs/dbraw/zinc/90/29/91/362902991.db2.gz SLLQRRAJIGKZDA-HUBLWGQQSA-N 1 2 296.367 0.426 20 30 CCEDLO C[C@](C#N)(NC(=O)C[NH+]1CCSCC1)C1CC1 ZINC000047987360 348394445 /nfs/dbraw/zinc/39/44/45/348394445.db2.gz XFCFAGFRMSBJGO-GFCCVEGCSA-N 1 2 253.371 0.844 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000349309048 137391698 /nfs/dbraw/zinc/39/16/98/137391698.db2.gz CFRLHVBTRQXHIT-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000349309048 137391699 /nfs/dbraw/zinc/39/16/99/137391699.db2.gz CFRLHVBTRQXHIT-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349347281 137392486 /nfs/dbraw/zinc/39/24/86/137392486.db2.gz ZUIHRGZILXEDHI-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000051954404 348501058 /nfs/dbraw/zinc/50/10/58/348501058.db2.gz IEAVWHKBLKULNH-UHFFFAOYSA-N 1 2 265.357 0.329 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603005933 362934613 /nfs/dbraw/zinc/93/46/13/362934613.db2.gz SZXSOCIIFGPKMK-ZDUSSCGKSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603005933 362934619 /nfs/dbraw/zinc/93/46/19/362934619.db2.gz SZXSOCIIFGPKMK-ZDUSSCGKSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603005932 362935050 /nfs/dbraw/zinc/93/50/50/362935050.db2.gz SZXSOCIIFGPKMK-CYBMUJFWSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603005932 362935055 /nfs/dbraw/zinc/93/50/55/362935055.db2.gz SZXSOCIIFGPKMK-CYBMUJFWSA-N 1 2 257.330 0.843 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCO[C@H]2C)c1C#N ZINC000538925300 290890666 /nfs/dbraw/zinc/89/06/66/290890666.db2.gz SFGWLFFWQJNZAU-UWVGGRQHSA-N 1 2 291.355 0.219 20 30 CCEDLO N#Cc1cccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000339709919 215308201 /nfs/dbraw/zinc/30/82/01/215308201.db2.gz YADJYPUENBSQEA-UHFFFAOYSA-N 1 2 297.318 0.187 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000165868737 350793433 /nfs/dbraw/zinc/79/34/33/350793433.db2.gz AOEFSQNWBKMQAQ-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000174736004 351100930 /nfs/dbraw/zinc/10/09/30/351100930.db2.gz ICHDDASOQSVLFQ-JTQLQIEISA-N 1 2 272.370 0.269 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000174736004 351100935 /nfs/dbraw/zinc/10/09/35/351100935.db2.gz ICHDDASOQSVLFQ-JTQLQIEISA-N 1 2 272.370 0.269 20 30 CCEDLO N#Cc1csc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000179837380 351277347 /nfs/dbraw/zinc/27/73/47/351277347.db2.gz SDASHGCPMBWFDL-UHFFFAOYSA-N 1 2 264.354 0.223 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184725895 351421012 /nfs/dbraw/zinc/42/10/12/351421012.db2.gz WFBSVZJCHFTDSQ-NSHDSACASA-N 1 2 295.339 0.877 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189464951 351681862 /nfs/dbraw/zinc/68/18/62/351681862.db2.gz YRGMVEZMXXJYBS-QMMMGPOBSA-N 1 2 254.252 0.534 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189464951 351681864 /nfs/dbraw/zinc/68/18/64/351681864.db2.gz YRGMVEZMXXJYBS-QMMMGPOBSA-N 1 2 254.252 0.534 20 30 CCEDLO COCCN1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191543595 351763341 /nfs/dbraw/zinc/76/33/41/351763341.db2.gz ZXIHVRTWZVPDRY-UHFFFAOYSA-N 1 2 290.367 0.577 20 30 CCEDLO COCCN1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191543595 351763345 /nfs/dbraw/zinc/76/33/45/351763345.db2.gz ZXIHVRTWZVPDRY-UHFFFAOYSA-N 1 2 290.367 0.577 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccnc(C#N)c1 ZINC000193088762 351810580 /nfs/dbraw/zinc/81/05/80/351810580.db2.gz LPEWUFSEWAVLDR-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C[C@H](C)C#N ZINC000253358317 352530742 /nfs/dbraw/zinc/53/07/42/352530742.db2.gz OHDWTVFDQVQGLV-GHMZBOCLSA-N 1 2 284.360 0.329 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C[C@H](C)C#N ZINC000253358317 352530744 /nfs/dbraw/zinc/53/07/44/352530744.db2.gz OHDWTVFDQVQGLV-GHMZBOCLSA-N 1 2 284.360 0.329 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000267018052 352738757 /nfs/dbraw/zinc/73/87/57/352738757.db2.gz BXRDZNRILITIOQ-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000267018052 352738760 /nfs/dbraw/zinc/73/87/60/352738760.db2.gz BXRDZNRILITIOQ-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267530093 352771964 /nfs/dbraw/zinc/77/19/64/352771964.db2.gz VHZIBSHNNXHFOW-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000270823028 352991018 /nfs/dbraw/zinc/99/10/18/352991018.db2.gz ZABDLFAOACEQQD-NSHDSACASA-N 1 2 255.362 0.477 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000270823028 352991023 /nfs/dbraw/zinc/99/10/23/352991023.db2.gz ZABDLFAOACEQQD-NSHDSACASA-N 1 2 255.362 0.477 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288711 198231875 /nfs/dbraw/zinc/23/18/75/198231875.db2.gz TZFDAROWLCJAQB-CMPLNLGQSA-N 1 2 275.308 0.968 20 30 CCEDLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288711 198231876 /nfs/dbraw/zinc/23/18/76/198231876.db2.gz TZFDAROWLCJAQB-CMPLNLGQSA-N 1 2 275.308 0.968 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295163326 199380758 /nfs/dbraw/zinc/38/07/58/199380758.db2.gz DKIFNPVDJCDPMF-OLZOCXBDSA-N 1 2 273.336 0.815 20 30 CCEDLO CC#CCC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000155117401 188184719 /nfs/dbraw/zinc/18/47/19/188184719.db2.gz RVXXQLUXZVJLNS-UHFFFAOYSA-N 1 2 277.368 0.166 20 30 CCEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCNC1=O ZINC000282439047 353424615 /nfs/dbraw/zinc/42/46/15/353424615.db2.gz RTVZAWFVTLXILW-JTQLQIEISA-N 1 2 292.364 0.769 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCNC1=O ZINC000282439047 353424617 /nfs/dbraw/zinc/42/46/17/353424617.db2.gz RTVZAWFVTLXILW-JTQLQIEISA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)ccn1)[C@@H](C)[NH+]1CCOCC1 ZINC000283230950 353492258 /nfs/dbraw/zinc/49/22/58/353492258.db2.gz YWJPREAFGFFORM-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294372361 353888964 /nfs/dbraw/zinc/88/89/64/353888964.db2.gz NJLPWOKNMYMQDL-CYBMUJFWSA-N 1 2 273.336 0.769 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000308183107 354183152 /nfs/dbraw/zinc/18/31/52/354183152.db2.gz XBIDPRQVTPNTIP-LBPRGKRZSA-N 1 2 274.372 0.568 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000308183107 354183154 /nfs/dbraw/zinc/18/31/54/354183154.db2.gz XBIDPRQVTPNTIP-LBPRGKRZSA-N 1 2 274.372 0.568 20 30 CCEDLO Cc1nc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1C#N ZINC000329993829 354282811 /nfs/dbraw/zinc/28/28/11/354282811.db2.gz YSIKYQQSSZOXTP-KGLIPLIRSA-N 1 2 286.335 0.417 20 30 CCEDLO Cc1nc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1C#N ZINC000329993829 354282815 /nfs/dbraw/zinc/28/28/15/354282815.db2.gz YSIKYQQSSZOXTP-KGLIPLIRSA-N 1 2 286.335 0.417 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330473105 354372674 /nfs/dbraw/zinc/37/26/74/354372674.db2.gz PZBOJAZQBWTLFA-GFCCVEGCSA-N 1 2 265.338 0.421 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330473105 354372676 /nfs/dbraw/zinc/37/26/76/354372676.db2.gz PZBOJAZQBWTLFA-GFCCVEGCSA-N 1 2 265.338 0.421 20 30 CCEDLO Cn1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000331164331 354474774 /nfs/dbraw/zinc/47/47/74/354474774.db2.gz LTJHKKOSFYGNRJ-NSHDSACASA-N 1 2 267.354 0.516 20 30 CCEDLO Cn1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000331164331 354474775 /nfs/dbraw/zinc/47/47/75/354474775.db2.gz LTJHKKOSFYGNRJ-NSHDSACASA-N 1 2 267.354 0.516 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(OC(F)F)c1 ZINC000331311300 354530389 /nfs/dbraw/zinc/53/03/89/354530389.db2.gz ZOMUFYJVICYTAJ-PHIMTYICSA-N 1 2 284.262 0.697 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(OC(F)F)c1 ZINC000331311300 354530394 /nfs/dbraw/zinc/53/03/94/354530394.db2.gz ZOMUFYJVICYTAJ-PHIMTYICSA-N 1 2 284.262 0.697 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1F ZINC000332244424 354634079 /nfs/dbraw/zinc/63/40/79/354634079.db2.gz KDZJCIXPXNQWGL-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1F ZINC000332244424 354634081 /nfs/dbraw/zinc/63/40/81/354634081.db2.gz KDZJCIXPXNQWGL-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NCC[NH+]1CCOCC1 ZINC000345371662 355808477 /nfs/dbraw/zinc/80/84/77/355808477.db2.gz PIAGPMZMYONDKD-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO Cn1c(C#N)ccc1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000351089657 356000372 /nfs/dbraw/zinc/00/03/72/356000372.db2.gz LHNBRUJRJRIWAJ-GFCCVEGCSA-N 1 2 284.323 0.619 20 30 CCEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000353899381 356312950 /nfs/dbraw/zinc/31/29/50/356312950.db2.gz NHICRUOCHZTPKE-UHFFFAOYSA-N 1 2 299.334 0.843 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000354544530 356436041 /nfs/dbraw/zinc/43/60/41/356436041.db2.gz SSXSZRGITDRBMR-UHFFFAOYSA-N 1 2 275.352 0.928 20 30 CCEDLO N#CCc1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000619473674 366265037 /nfs/dbraw/zinc/26/50/37/366265037.db2.gz WUTUUFIXFFLTNN-UHFFFAOYSA-N 1 2 290.348 0.928 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)n1cnc(C#N)n1 ZINC000619612264 366298219 /nfs/dbraw/zinc/29/82/19/366298219.db2.gz UXBQZPQLOPRREO-NWDGAFQWSA-N 1 2 299.338 0.771 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000609486503 363499144 /nfs/dbraw/zinc/49/91/44/363499144.db2.gz LKAPXZARFHWJPJ-CQSZACIVSA-N 1 2 294.399 0.011 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)C(=O)OC ZINC000619703154 366327923 /nfs/dbraw/zinc/32/79/23/366327923.db2.gz GNKICJHOEVEZPQ-NTZNESFSSA-N 1 2 255.314 0.642 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000619719787 366339778 /nfs/dbraw/zinc/33/97/78/366339778.db2.gz DLNNMBMNFFANBB-MNOVXSKESA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000619719787 366339785 /nfs/dbraw/zinc/33/97/85/366339785.db2.gz DLNNMBMNFFANBB-MNOVXSKESA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000619717175 366334279 /nfs/dbraw/zinc/33/42/79/366334279.db2.gz FLINTRANVGRCJX-GHMZBOCLSA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000619717175 366334290 /nfs/dbraw/zinc/33/42/90/366334290.db2.gz FLINTRANVGRCJX-GHMZBOCLSA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000619716871 366334559 /nfs/dbraw/zinc/33/45/59/366334559.db2.gz WSXKKQFMGGRNCB-RYUDHWBXSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000619716871 366334565 /nfs/dbraw/zinc/33/45/65/366334565.db2.gz WSXKKQFMGGRNCB-RYUDHWBXSA-N 1 2 254.330 0.562 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@]1(CO)CCOC1 ZINC000359602635 356855739 /nfs/dbraw/zinc/85/57/39/356855739.db2.gz QKAFITPJAHYZBI-HNNXBMFYSA-N 1 2 289.335 0.580 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@]1(CO)CCOC1 ZINC000359602635 356855740 /nfs/dbraw/zinc/85/57/40/356855740.db2.gz QKAFITPJAHYZBI-HNNXBMFYSA-N 1 2 289.335 0.580 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359949027 356925182 /nfs/dbraw/zinc/92/51/82/356925182.db2.gz JJAMFVPYWKPRGV-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359949027 356925186 /nfs/dbraw/zinc/92/51/86/356925186.db2.gz JJAMFVPYWKPRGV-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO Cc1cc(S(=O)(=O)NCC[NH+]2CCC2)ccc1C#N ZINC000443884908 235870160 /nfs/dbraw/zinc/87/01/60/235870160.db2.gz OZXHKACGHPEIDB-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000378347359 357674942 /nfs/dbraw/zinc/67/49/42/357674942.db2.gz CPJNJMAENNCVJM-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000378347359 357674946 /nfs/dbraw/zinc/67/49/46/357674946.db2.gz CPJNJMAENNCVJM-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO CNC(=O)CN1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000378347359 357674949 /nfs/dbraw/zinc/67/49/49/357674949.db2.gz CPJNJMAENNCVJM-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO CNC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000378347359 357674951 /nfs/dbraw/zinc/67/49/51/357674951.db2.gz CPJNJMAENNCVJM-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000449778205 236050278 /nfs/dbraw/zinc/05/02/78/236050278.db2.gz WCDIZPSFLBJBFN-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000449778205 236050280 /nfs/dbraw/zinc/05/02/80/236050280.db2.gz WCDIZPSFLBJBFN-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCOC[C@H]2CC(N)=O)ccc1F ZINC000452089140 236218127 /nfs/dbraw/zinc/21/81/27/236218127.db2.gz SMOCASATOMCTMW-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)ccc1F ZINC000452089140 236218131 /nfs/dbraw/zinc/21/81/31/236218131.db2.gz SMOCASATOMCTMW-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000454309849 236289788 /nfs/dbraw/zinc/28/97/88/236289788.db2.gz FVYHZCMFEALBRU-TXEJJXNPSA-N 1 2 274.324 0.479 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000454309849 236289792 /nfs/dbraw/zinc/28/97/92/236289792.db2.gz FVYHZCMFEALBRU-TXEJJXNPSA-N 1 2 274.324 0.479 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@H]1C ZINC000450595442 358257051 /nfs/dbraw/zinc/25/70/51/358257051.db2.gz VJZPQIUAKWDDSL-ZOWXZIJZSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@H]1C ZINC000450595442 358257053 /nfs/dbraw/zinc/25/70/53/358257053.db2.gz VJZPQIUAKWDDSL-ZOWXZIJZSA-N 1 2 293.367 0.632 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000294768324 199174193 /nfs/dbraw/zinc/17/41/93/199174193.db2.gz YYEIQZBSGIYLPL-JQWIXIFHSA-N 1 2 254.330 0.303 20 30 CCEDLO Cn1nccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493585295 358309301 /nfs/dbraw/zinc/30/93/01/358309301.db2.gz HVVRRVJFRYAUNX-SZZPACECSA-N 1 2 261.329 0.393 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(F)c1 ZINC000294811768 199193483 /nfs/dbraw/zinc/19/34/83/199193483.db2.gz NWSFOBBVKMGFDA-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(F)c1 ZINC000294811768 199193485 /nfs/dbraw/zinc/19/34/85/199193485.db2.gz NWSFOBBVKMGFDA-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000556673386 358553049 /nfs/dbraw/zinc/55/30/49/358553049.db2.gz QVONRUYIPXHDDZ-LXTVHRRPSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000556673386 358553050 /nfs/dbraw/zinc/55/30/50/358553050.db2.gz QVONRUYIPXHDDZ-LXTVHRRPSA-N 1 2 294.395 0.947 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn2ccccc2n1 ZINC000563220139 358557211 /nfs/dbraw/zinc/55/72/11/358557211.db2.gz GFTGZHBZSZCQCB-AWEZNQCLSA-N 1 2 271.324 0.908 20 30 CCEDLO CC(C)[C@H](CNc1ncncc1C#N)[NH+]1CCOCC1 ZINC000568325406 358665278 /nfs/dbraw/zinc/66/52/78/358665278.db2.gz DKXHBCWMFRGNRS-ZDUSSCGKSA-N 1 2 275.356 0.539 20 30 CCEDLO CC(C)COC[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000573016228 358931173 /nfs/dbraw/zinc/93/11/73/358931173.db2.gz LCFMACSUSHSDON-CYBMUJFWSA-N 1 2 283.372 0.078 20 30 CCEDLO CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@H](CC)CC#N)C(=O)OC ZINC000573815110 359002670 /nfs/dbraw/zinc/00/26/70/359002670.db2.gz ZCOIKRQWLPSXFD-WZRBSPASSA-N 1 2 283.372 0.972 20 30 CCEDLO COCC[N@H+](Cc1ccnc(C#N)c1)[C@H](C)C(N)=O ZINC000610992768 363644203 /nfs/dbraw/zinc/64/42/03/363644203.db2.gz IRYHQAAVQOULAC-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)C(N)=O ZINC000610992768 363644206 /nfs/dbraw/zinc/64/42/06/363644206.db2.gz IRYHQAAVQOULAC-SNVBAGLBSA-N 1 2 262.313 0.275 20 30 CCEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000585799107 359278338 /nfs/dbraw/zinc/27/83/38/359278338.db2.gz KRTVCVVUKIDTNM-NEPJUHHUSA-N 1 2 278.356 0.405 20 30 CCEDLO COCCN1C(=O)N[C@@H]2C[N@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000585799107 359278343 /nfs/dbraw/zinc/27/83/43/359278343.db2.gz KRTVCVVUKIDTNM-NEPJUHHUSA-N 1 2 278.356 0.405 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000589199622 359369693 /nfs/dbraw/zinc/36/96/93/359369693.db2.gz DBAGSCOJQZAGMU-UHFFFAOYSA-N 1 2 270.292 0.970 20 30 CCEDLO CC(C)(CNC(=O)c1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000589252687 359373883 /nfs/dbraw/zinc/37/38/83/359373883.db2.gz CCDKTIANFVSVFP-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994440 363645740 /nfs/dbraw/zinc/64/57/40/363645740.db2.gz CQMYHANJKOCCLU-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994440 363645744 /nfs/dbraw/zinc/64/57/44/363645744.db2.gz CQMYHANJKOCCLU-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCCCC#N)C1 ZINC000588360268 359323999 /nfs/dbraw/zinc/32/39/99/359323999.db2.gz QECJIOMUGMMVEY-CYBMUJFWSA-N 1 2 266.389 0.822 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCCCC#N)C1 ZINC000588360268 359324004 /nfs/dbraw/zinc/32/40/04/359324004.db2.gz QECJIOMUGMMVEY-CYBMUJFWSA-N 1 2 266.389 0.822 20 30 CCEDLO COCCN(CCC#N)C(=O)Cc1c[nH+]cn1C ZINC000588459439 359324719 /nfs/dbraw/zinc/32/47/19/359324719.db2.gz OVYNQQYEZGJTRS-UHFFFAOYSA-N 1 2 250.302 0.351 20 30 CCEDLO CCS(=O)(=O)NCCC[N@@H+](CCC#N)CCOC ZINC000611073517 363656543 /nfs/dbraw/zinc/65/65/43/363656543.db2.gz GGPBFSNLQOHMKY-UHFFFAOYSA-N 1 2 277.390 0.178 20 30 CCEDLO CCS(=O)(=O)NCCC[N@H+](CCC#N)CCOC ZINC000611073517 363656548 /nfs/dbraw/zinc/65/65/48/363656548.db2.gz GGPBFSNLQOHMKY-UHFFFAOYSA-N 1 2 277.390 0.178 20 30 CCEDLO N#CC1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000590485019 359474557 /nfs/dbraw/zinc/47/45/57/359474557.db2.gz NDZWFCGMPSSBLW-UHFFFAOYSA-N 1 2 253.265 0.863 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc2c(c1C#N)CCC2 ZINC000591819454 359663298 /nfs/dbraw/zinc/66/32/98/359663298.db2.gz FHKQUIMCXILDSK-GFCCVEGCSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1ncc2c(c1C#N)CCC2 ZINC000591819454 359663302 /nfs/dbraw/zinc/66/33/02/359663302.db2.gz FHKQUIMCXILDSK-GFCCVEGCSA-N 1 2 286.379 0.996 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(OCCO)CC1 ZINC000592088491 359752109 /nfs/dbraw/zinc/75/21/09/359752109.db2.gz XFAQVUWJKYDYAN-UHFFFAOYSA-N 1 2 261.325 0.927 20 30 CCEDLO C=CCCOCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000592055544 359744187 /nfs/dbraw/zinc/74/41/87/359744187.db2.gz RRLFYNQZUCOCKS-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccncc1C#N)CC2 ZINC000592070832 359746204 /nfs/dbraw/zinc/74/62/04/359746204.db2.gz ZEQBNEGCFFHFIN-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccncc1C#N)CC2 ZINC000592070832 359746210 /nfs/dbraw/zinc/74/62/10/359746210.db2.gz ZEQBNEGCFFHFIN-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592151637 359770795 /nfs/dbraw/zinc/77/07/95/359770795.db2.gz OUQKJWUDLKPBLL-ZDUSSCGKSA-N 1 2 262.313 0.595 20 30 CCEDLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592151637 359770798 /nfs/dbraw/zinc/77/07/98/359770798.db2.gz OUQKJWUDLKPBLL-ZDUSSCGKSA-N 1 2 262.313 0.595 20 30 CCEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592154907 359772145 /nfs/dbraw/zinc/77/21/45/359772145.db2.gz VTWBAWIATSWMID-MFKMUULPSA-N 1 2 262.313 0.902 20 30 CCEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592154907 359772149 /nfs/dbraw/zinc/77/21/49/359772149.db2.gz VTWBAWIATSWMID-MFKMUULPSA-N 1 2 262.313 0.902 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592191157 359780857 /nfs/dbraw/zinc/78/08/57/359780857.db2.gz AQTVSULHOOJDRA-AAEUAGOBSA-N 1 2 275.308 0.309 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592191157 359780860 /nfs/dbraw/zinc/78/08/60/359780860.db2.gz AQTVSULHOOJDRA-AAEUAGOBSA-N 1 2 275.308 0.309 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147368 359765444 /nfs/dbraw/zinc/76/54/44/359765444.db2.gz KPGQAPSLDQGZIK-BZPMIXESSA-N 1 2 281.356 0.021 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147368 359765448 /nfs/dbraw/zinc/76/54/48/359765448.db2.gz KPGQAPSLDQGZIK-BZPMIXESSA-N 1 2 281.356 0.021 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000592147702 359765709 /nfs/dbraw/zinc/76/57/09/359765709.db2.gz RKLHAXWQQCVIDP-OAHLLOKOSA-N 1 2 273.336 0.653 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000592147702 359765714 /nfs/dbraw/zinc/76/57/14/359765714.db2.gz RKLHAXWQQCVIDP-OAHLLOKOSA-N 1 2 273.336 0.653 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592146916 359765985 /nfs/dbraw/zinc/76/59/85/359765985.db2.gz GXWBPVZBVIWUBI-KBPBESRZSA-N 1 2 276.340 0.145 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592146916 359765988 /nfs/dbraw/zinc/76/59/88/359765988.db2.gz GXWBPVZBVIWUBI-KBPBESRZSA-N 1 2 276.340 0.145 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148643 359767073 /nfs/dbraw/zinc/76/70/73/359767073.db2.gz YKNRQVSNBWBCNL-BPLDGKMQSA-N 1 2 292.383 0.780 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148643 359767077 /nfs/dbraw/zinc/76/70/77/359767077.db2.gz YKNRQVSNBWBCNL-BPLDGKMQSA-N 1 2 292.383 0.780 20 30 CCEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148516 359767249 /nfs/dbraw/zinc/76/72/49/359767249.db2.gz ZHXNPCZFVBSMEP-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148516 359767251 /nfs/dbraw/zinc/76/72/51/359767251.db2.gz ZHXNPCZFVBSMEP-WPRPVWTQSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000592149798 359769544 /nfs/dbraw/zinc/76/95/44/359769544.db2.gz WOZYFBIDURVVBF-OAHLLOKOSA-N 1 2 283.335 0.893 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000592149798 359769547 /nfs/dbraw/zinc/76/95/47/359769547.db2.gz WOZYFBIDURVVBF-OAHLLOKOSA-N 1 2 283.335 0.893 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000592149902 359769627 /nfs/dbraw/zinc/76/96/27/359769627.db2.gz ZJSXSPILWBNSOV-JSGCOSHPSA-N 1 2 259.309 0.563 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000592149902 359769630 /nfs/dbraw/zinc/76/96/30/359769630.db2.gz ZJSXSPILWBNSOV-JSGCOSHPSA-N 1 2 259.309 0.563 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611194621 363679182 /nfs/dbraw/zinc/67/91/82/363679182.db2.gz FHLWWOVMDWGLFC-UHFFFAOYSA-N 1 2 290.323 0.762 20 30 CCEDLO CN(C)c1ccc(CNc2ccc(C#N)nn2)c[nH+]1 ZINC000611239631 363693572 /nfs/dbraw/zinc/69/35/72/363693572.db2.gz UWWGUHAHEQEKIF-UHFFFAOYSA-N 1 2 254.297 0.843 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(C2CCC2)nn1 ZINC000593153143 360048122 /nfs/dbraw/zinc/04/81/22/360048122.db2.gz BXJOLOGISFAHOJ-ZDUSSCGKSA-N 1 2 276.344 0.577 20 30 CCEDLO C[C@@H](CCC#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000592995680 360010467 /nfs/dbraw/zinc/01/04/67/360010467.db2.gz DRZGCQXZZVBSPI-LBPRGKRZSA-N 1 2 252.362 0.384 20 30 CCEDLO COCCOCC[NH+]1CCN(CCCCC#N)CC1 ZINC000593118973 360045078 /nfs/dbraw/zinc/04/50/78/360045078.db2.gz ZUJMXCUFHLLOAE-UHFFFAOYSA-N 1 2 269.389 0.961 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000593453583 360092691 /nfs/dbraw/zinc/09/26/91/360092691.db2.gz ZDTIXVYLLIMDSO-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@H](C#N)CC)CC1 ZINC000593460404 360093464 /nfs/dbraw/zinc/09/34/64/360093464.db2.gz BDXYDQUWQRHIGY-LBPRGKRZSA-N 1 2 253.346 0.717 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000593389271 360076039 /nfs/dbraw/zinc/07/60/39/360076039.db2.gz PPGAFFAHLFLBCB-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@H](C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000593700559 360137676 /nfs/dbraw/zinc/13/76/76/360137676.db2.gz VILKNPSAVWWJAD-YNEHKIRRSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000594011601 360234041 /nfs/dbraw/zinc/23/40/41/360234041.db2.gz BRVMEYHZGBZXSN-LBPRGKRZSA-N 1 2 280.372 0.397 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)c([N+](=O)[O-])c1 ZINC000594037644 360239775 /nfs/dbraw/zinc/23/97/75/360239775.db2.gz PDPWICKFJRSJOL-CYBMUJFWSA-N 1 2 290.279 0.200 20 30 CCEDLO Cc1nc(N2CCN(C(=O)CC#N)CC2)c(C)c(C)[nH+]1 ZINC000594587703 360335794 /nfs/dbraw/zinc/33/57/94/360335794.db2.gz RSJYMTVUNUZSND-UHFFFAOYSA-N 1 2 273.340 0.964 20 30 CCEDLO N#CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000594685215 360359378 /nfs/dbraw/zinc/35/93/78/360359378.db2.gz FPNXKPSZKLDKMC-ZDUSSCGKSA-N 1 2 280.372 0.654 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)o1 ZINC000595112064 360438061 /nfs/dbraw/zinc/43/80/61/360438061.db2.gz RDFJWHXIQWLDOJ-MRVPVSSYSA-N 1 2 291.279 0.379 20 30 CCEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000595119176 360439827 /nfs/dbraw/zinc/43/98/27/360439827.db2.gz OQDKRFNSMNNABG-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1[nH+]ccn1C ZINC000595384158 360514902 /nfs/dbraw/zinc/51/49/02/360514902.db2.gz SSVKRDXTUYZVAY-SECBINFHSA-N 1 2 291.336 0.726 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612218 360597007 /nfs/dbraw/zinc/59/70/07/360597007.db2.gz TZXRBHDEGCGALB-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612218 360597012 /nfs/dbraw/zinc/59/70/12/360597012.db2.gz TZXRBHDEGCGALB-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(=O)N(C)CCC#N ZINC000595776849 360651671 /nfs/dbraw/zinc/65/16/71/360651671.db2.gz VQNVVFSCMRGTNK-CYBMUJFWSA-N 1 2 287.335 0.629 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716219 360629541 /nfs/dbraw/zinc/62/95/41/360629541.db2.gz XMRFADGYBDJONG-MXWKQRLJSA-N 1 2 281.356 0.544 20 30 CCEDLO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752402 360638910 /nfs/dbraw/zinc/63/89/10/360638910.db2.gz LDDFHGVALIAXMI-UTUOFQBUSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752402 360638911 /nfs/dbraw/zinc/63/89/11/360638911.db2.gz LDDFHGVALIAXMI-UTUOFQBUSA-N 1 2 271.386 0.644 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595838595 360674413 /nfs/dbraw/zinc/67/44/13/360674413.db2.gz BZHAXOBYKSTJSB-CYBMUJFWSA-N 1 2 264.329 0.552 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595838595 360674418 /nfs/dbraw/zinc/67/44/18/360674418.db2.gz BZHAXOBYKSTJSB-CYBMUJFWSA-N 1 2 264.329 0.552 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836898 360674560 /nfs/dbraw/zinc/67/45/60/360674560.db2.gz AVNWWMBHMFGIPG-HIFRSBDPSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836898 360674563 /nfs/dbraw/zinc/67/45/63/360674563.db2.gz AVNWWMBHMFGIPG-HIFRSBDPSA-N 1 2 292.383 0.349 20 30 CCEDLO Cn1ncc(C#N)c1NCC[N@@H+]1CCOCC1(C)C ZINC000596110386 360797555 /nfs/dbraw/zinc/79/75/55/360797555.db2.gz MQSKEABFSMKEFI-UHFFFAOYSA-N 1 2 263.345 0.814 20 30 CCEDLO Cn1ncc(C#N)c1NCC[N@H+]1CCOCC1(C)C ZINC000596110386 360797558 /nfs/dbraw/zinc/79/75/58/360797558.db2.gz MQSKEABFSMKEFI-UHFFFAOYSA-N 1 2 263.345 0.814 20 30 CCEDLO C[C@@H](Nc1c(C#N)cnn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000596114971 360800073 /nfs/dbraw/zinc/80/00/73/360800073.db2.gz PPCOWVBDAPUIPD-GHMZBOCLSA-N 1 2 263.345 0.813 20 30 CCEDLO Cc1cc(N[C@H](CO)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000596277030 360865186 /nfs/dbraw/zinc/86/51/86/360865186.db2.gz FEHYOPKUDFRIKZ-ZDUSSCGKSA-N 1 2 271.324 0.433 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)cnn2)[C@H](C)CO1 ZINC000596434952 360895217 /nfs/dbraw/zinc/89/52/17/360895217.db2.gz ZOLOSXHVOPPZLA-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)cnn2)[C@H](C)CO1 ZINC000596434952 360895222 /nfs/dbraw/zinc/89/52/22/360895222.db2.gz ZOLOSXHVOPPZLA-GHMZBOCLSA-N 1 2 261.329 0.291 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[nH]n1CCC#N ZINC000597459534 361102918 /nfs/dbraw/zinc/10/29/18/361102918.db2.gz BHPVLGBBIFZMOZ-NSHDSACASA-N 1 2 298.350 0.994 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[nH]n1CCC#N ZINC000597459534 361102924 /nfs/dbraw/zinc/10/29/24/361102924.db2.gz BHPVLGBBIFZMOZ-NSHDSACASA-N 1 2 298.350 0.994 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476449 361107290 /nfs/dbraw/zinc/10/72/90/361107290.db2.gz LKMYFMLFQHWPGL-NXEZZACHSA-N 1 2 276.365 0.982 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476449 361107296 /nfs/dbraw/zinc/10/72/96/361107296.db2.gz LKMYFMLFQHWPGL-NXEZZACHSA-N 1 2 276.365 0.982 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622661 361165997 /nfs/dbraw/zinc/16/59/97/361165997.db2.gz ZDJMTNKFBBMQJA-JTQLQIEISA-N 1 2 277.328 0.831 20 30 CCEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)CO ZINC000597741776 361223774 /nfs/dbraw/zinc/22/37/74/361223774.db2.gz JPLSBLNWCDZHRM-SNVBAGLBSA-N 1 2 272.308 0.599 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597772396 361238953 /nfs/dbraw/zinc/23/89/53/361238953.db2.gz CRCNBLOAIYFMRO-LBPRGKRZSA-N 1 2 283.372 0.342 20 30 CCEDLO CC[C@](COC)([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598620678 361461883 /nfs/dbraw/zinc/46/18/83/361461883.db2.gz MXHZHMIFVUXNFU-SMDDNHRTSA-N 1 2 286.372 0.845 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595681 361454087 /nfs/dbraw/zinc/45/40/87/361454087.db2.gz FTBJOSKAJQMZNO-NEPJUHHUSA-N 1 2 286.372 0.797 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595681 361454090 /nfs/dbraw/zinc/45/40/90/361454090.db2.gz FTBJOSKAJQMZNO-NEPJUHHUSA-N 1 2 286.372 0.797 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946551 361537890 /nfs/dbraw/zinc/53/78/90/361537890.db2.gz GJGCSRFAJRHBGW-JTQLQIEISA-N 1 2 269.308 0.838 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000599051973 361561834 /nfs/dbraw/zinc/56/18/34/361561834.db2.gz ZCVLAKKTEUIVNG-JXQTWKCFSA-N 1 2 294.399 0.946 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000599051973 361561836 /nfs/dbraw/zinc/56/18/36/361561836.db2.gz ZCVLAKKTEUIVNG-JXQTWKCFSA-N 1 2 294.399 0.946 20 30 CCEDLO COC1CC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000599229124 361615319 /nfs/dbraw/zinc/61/53/19/361615319.db2.gz AAONMMBMEFALLP-UHFFFAOYSA-N 1 2 295.383 0.486 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612246522 363869735 /nfs/dbraw/zinc/86/97/35/363869735.db2.gz ZWWMIBVWUPMKJS-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612246522 363869737 /nfs/dbraw/zinc/86/97/37/363869737.db2.gz ZWWMIBVWUPMKJS-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612697511 363994404 /nfs/dbraw/zinc/99/44/04/363994404.db2.gz WJNDFCMVDZAGPT-SMDDNHRTSA-N 1 2 290.367 0.854 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612697511 363994411 /nfs/dbraw/zinc/99/44/11/363994411.db2.gz WJNDFCMVDZAGPT-SMDDNHRTSA-N 1 2 290.367 0.854 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000614419319 364599463 /nfs/dbraw/zinc/59/94/63/364599463.db2.gz OOKRRBMQHVMFKB-ZIAGYGMSSA-N 1 2 296.334 0.623 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000614419319 364599470 /nfs/dbraw/zinc/59/94/70/364599470.db2.gz OOKRRBMQHVMFKB-ZIAGYGMSSA-N 1 2 296.334 0.623 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000615429163 364948309 /nfs/dbraw/zinc/94/83/09/364948309.db2.gz UHHHWYZVUKAUQT-YGRLFVJLSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000615429163 364948312 /nfs/dbraw/zinc/94/83/12/364948312.db2.gz UHHHWYZVUKAUQT-YGRLFVJLSA-N 1 2 289.335 0.713 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000616115080 365181594 /nfs/dbraw/zinc/18/15/94/365181594.db2.gz VHWQLYHAZZRDIM-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565157467 291348762 /nfs/dbraw/zinc/34/87/62/291348762.db2.gz NEZKNTPRNOJMHS-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565157467 291348763 /nfs/dbraw/zinc/34/87/63/291348763.db2.gz NEZKNTPRNOJMHS-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO C=C1CC(C)(C(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000632074982 370859849 /nfs/dbraw/zinc/85/98/49/370859849.db2.gz HSOZLRIUHKYJMS-UHFFFAOYSA-N 1 2 265.357 0.281 20 30 CCEDLO C=C1CC(C)(C(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000632074982 370859853 /nfs/dbraw/zinc/85/98/53/370859853.db2.gz HSOZLRIUHKYJMS-UHFFFAOYSA-N 1 2 265.357 0.281 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@](C)(COC)C2)C1=O ZINC000626176644 368476457 /nfs/dbraw/zinc/47/64/57/368476457.db2.gz TZKJLLPUQLLNAO-GXTWGEPZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@](C)(COC)C2)C1=O ZINC000626176644 368476461 /nfs/dbraw/zinc/47/64/61/368476461.db2.gz TZKJLLPUQLLNAO-GXTWGEPZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@](C)(COC)C2)C1=O ZINC000626176647 368477807 /nfs/dbraw/zinc/47/78/07/368477807.db2.gz TZKJLLPUQLLNAO-TZMCWYRMSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@](C)(COC)C2)C1=O ZINC000626176647 368477812 /nfs/dbraw/zinc/47/78/12/368477812.db2.gz TZKJLLPUQLLNAO-TZMCWYRMSA-N 1 2 268.357 0.511 20 30 CCEDLO C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000330599771 203021863 /nfs/dbraw/zinc/02/18/63/203021863.db2.gz FNUPYUIQBLRGLZ-JHJVBQTASA-N 1 2 275.308 0.826 20 30 CCEDLO C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000330599771 203021865 /nfs/dbraw/zinc/02/18/65/203021865.db2.gz FNUPYUIQBLRGLZ-JHJVBQTASA-N 1 2 275.308 0.826 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1F ZINC000330624345 203052832 /nfs/dbraw/zinc/05/28/32/203052832.db2.gz GBFPKJKVPFMNFP-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1F ZINC000330624345 203052834 /nfs/dbraw/zinc/05/28/34/203052834.db2.gz GBFPKJKVPFMNFP-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCSC[C@H]2CO)c1 ZINC000330855766 203317939 /nfs/dbraw/zinc/31/79/39/203317939.db2.gz SOECMJVINUDNBX-CYBMUJFWSA-N 1 2 291.376 0.906 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000330855766 203317942 /nfs/dbraw/zinc/31/79/42/203317942.db2.gz SOECMJVINUDNBX-CYBMUJFWSA-N 1 2 291.376 0.906 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000330855767 203318484 /nfs/dbraw/zinc/31/84/84/203318484.db2.gz SOECMJVINUDNBX-ZDUSSCGKSA-N 1 2 291.376 0.906 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000330855767 203318488 /nfs/dbraw/zinc/31/84/88/203318488.db2.gz SOECMJVINUDNBX-ZDUSSCGKSA-N 1 2 291.376 0.906 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)C1(CO)COC1)[NH+]1CCOCC1 ZINC000329216735 227357434 /nfs/dbraw/zinc/35/74/34/227357434.db2.gz OZWVSWDPOUMXIS-WDEREUQCSA-N 1 2 272.345 0.061 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635402619 372490996 /nfs/dbraw/zinc/49/09/96/372490996.db2.gz SGCUTAODLXUONT-MNOVXSKESA-N 1 2 274.386 0.138 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635776158 372893508 /nfs/dbraw/zinc/89/35/08/372893508.db2.gz LTEOITLVTMGAKZ-GFCCVEGCSA-N 1 2 278.356 0.889 20 30 CCEDLO C=CCN(C(=O)[C@@H]1COCC[N@H+]1CC)[C@@H](C)COC ZINC000637401187 374134830 /nfs/dbraw/zinc/13/48/30/374134830.db2.gz AMGKQWSUNYIUTK-STQMWFEESA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)[C@@H](C)COC ZINC000637401187 374134836 /nfs/dbraw/zinc/13/48/36/374134836.db2.gz AMGKQWSUNYIUTK-STQMWFEESA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCCC(C)(C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638429840 375028193 /nfs/dbraw/zinc/02/81/93/375028193.db2.gz AWDLRQWJVZHWSF-LLVKDONJSA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCOCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160055 376260048 /nfs/dbraw/zinc/26/00/48/376260048.db2.gz CMJRDAMCANRKSC-UHFFFAOYSA-N 1 2 296.392 0.895 20 30 CCEDLO C=CCOCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160055 376260053 /nfs/dbraw/zinc/26/00/53/376260053.db2.gz CMJRDAMCANRKSC-UHFFFAOYSA-N 1 2 296.392 0.895 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1F ZINC000334333773 206384074 /nfs/dbraw/zinc/38/40/74/206384074.db2.gz VMDWQSQZRJYIBX-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1F ZINC000334333773 206384078 /nfs/dbraw/zinc/38/40/78/206384078.db2.gz VMDWQSQZRJYIBX-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)no2)nn1 ZINC000641055855 376723871 /nfs/dbraw/zinc/72/38/71/376723871.db2.gz VPXSNAQXYIVDJW-UHFFFAOYSA-N 1 2 261.285 0.436 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCNC(=O)NC(C)C)nn1 ZINC000641101736 376784304 /nfs/dbraw/zinc/78/43/04/376784304.db2.gz WYFNYEKQGOWZQE-UHFFFAOYSA-N 1 2 278.360 0.099 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000685002470 545784744 /nfs/dbraw/zinc/78/47/44/545784744.db2.gz RSHUCOZOVSUNIH-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000685002470 545784758 /nfs/dbraw/zinc/78/47/58/545784758.db2.gz RSHUCOZOVSUNIH-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=C[C@H](CO)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641619805 377324309 /nfs/dbraw/zinc/32/43/09/377324309.db2.gz YDRKSMZCRMRRMZ-GFCCVEGCSA-N 1 2 296.392 0.500 20 30 CCEDLO C=C[C@H](CO)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641619805 377324323 /nfs/dbraw/zinc/32/43/23/377324323.db2.gz YDRKSMZCRMRRMZ-GFCCVEGCSA-N 1 2 296.392 0.500 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657088858 412885598 /nfs/dbraw/zinc/88/55/98/412885598.db2.gz GPYFGBBMEAKMRA-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657088858 412885599 /nfs/dbraw/zinc/88/55/99/412885599.db2.gz GPYFGBBMEAKMRA-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491786943 262050975 /nfs/dbraw/zinc/05/09/75/262050975.db2.gz XAHUCUGGEZWVPE-VHSXEESVSA-N 1 2 279.340 0.458 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491786943 262050978 /nfs/dbraw/zinc/05/09/78/262050978.db2.gz XAHUCUGGEZWVPE-VHSXEESVSA-N 1 2 279.340 0.458 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000571595302 291825143 /nfs/dbraw/zinc/82/51/43/291825143.db2.gz CUABZPSWIWMUQL-ZDUSSCGKSA-N 1 2 285.351 0.354 20 30 CCEDLO Cn1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000281502776 195268334 /nfs/dbraw/zinc/26/83/34/195268334.db2.gz RPNIVDMYUBVHHR-UHFFFAOYSA-N 1 2 297.366 0.400 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024950297 388811588 /nfs/dbraw/zinc/81/15/88/388811588.db2.gz VCTSXWTVVOYKQC-AXFHLTTASA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024950297 388811591 /nfs/dbraw/zinc/81/15/91/388811591.db2.gz VCTSXWTVVOYKQC-AXFHLTTASA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000284197146 388774473 /nfs/dbraw/zinc/77/44/73/388774473.db2.gz YPBVKJPIVMWHEM-CYBMUJFWSA-N 1 2 295.383 0.024 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(C(C)(C)C)no1 ZINC000185158932 388790144 /nfs/dbraw/zinc/79/01/44/388790144.db2.gz PBTHQYYLTPEWRP-MRVPVSSYSA-N 1 2 265.317 0.657 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2ccc(C)[nH+]c2C)c1=O ZINC000186540562 388841133 /nfs/dbraw/zinc/84/11/33/388841133.db2.gz GMFMADWBBQHKLC-UHFFFAOYSA-N 1 2 284.319 0.962 20 30 CCEDLO C#CCC(CC#C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000287948595 388856904 /nfs/dbraw/zinc/85/69/04/388856904.db2.gz GKFAMJJXMUMQQC-CQSZACIVSA-N 1 2 276.380 0.828 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000042288200 388865905 /nfs/dbraw/zinc/86/59/05/388865905.db2.gz IJAJSOOSEQRXNH-ZDUSSCGKSA-N 1 2 272.352 0.342 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000289740246 388887574 /nfs/dbraw/zinc/88/75/74/388887574.db2.gz YBRFBPRRTFZHNH-UHFFFAOYSA-N 1 2 278.293 0.552 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000051855820 388927773 /nfs/dbraw/zinc/92/77/73/388927773.db2.gz WKIUQNNZHVUPPV-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000051855820 388927774 /nfs/dbraw/zinc/92/77/74/388927774.db2.gz WKIUQNNZHVUPPV-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000192236174 389029914 /nfs/dbraw/zinc/02/99/14/389029914.db2.gz XDDPEEWVPQGJCE-UHFFFAOYSA-N 1 2 287.363 0.957 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000192236174 389029918 /nfs/dbraw/zinc/02/99/18/389029918.db2.gz XDDPEEWVPQGJCE-UHFFFAOYSA-N 1 2 287.363 0.957 20 30 CCEDLO COc1ccc(C[N@@H+]2CCNC(=O)CC2)cc1C#N ZINC000087833382 389012174 /nfs/dbraw/zinc/01/21/74/389012174.db2.gz IXSQOTFHRXJYCH-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO COc1ccc(C[N@H+]2CCNC(=O)CC2)cc1C#N ZINC000087833382 389012177 /nfs/dbraw/zinc/01/21/77/389012177.db2.gz IXSQOTFHRXJYCH-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337233455 389057327 /nfs/dbraw/zinc/05/73/27/389057327.db2.gz WMEZRFGZGPYYOO-NEPJUHHUSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337233455 389057330 /nfs/dbraw/zinc/05/73/30/389057330.db2.gz WMEZRFGZGPYYOO-NEPJUHHUSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2cnn(CC)c2)C1=O ZINC000337230917 389057461 /nfs/dbraw/zinc/05/74/61/389057461.db2.gz IROFZDXBXWBFRR-AWEZNQCLSA-N 1 2 292.383 0.484 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2cnn(CC)c2)C1=O ZINC000337230917 389057463 /nfs/dbraw/zinc/05/74/63/389057463.db2.gz IROFZDXBXWBFRR-AWEZNQCLSA-N 1 2 292.383 0.484 20 30 CCEDLO CC#CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000355173226 389045280 /nfs/dbraw/zinc/04/52/80/389045280.db2.gz JFLSFTXSCFYJOU-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCOCCC#N ZINC000339078355 389124246 /nfs/dbraw/zinc/12/42/46/389124246.db2.gz UNZHCBXWRQFDPZ-NEPJUHHUSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCOCCC#N ZINC000339078355 389124248 /nfs/dbraw/zinc/12/42/48/389124248.db2.gz UNZHCBXWRQFDPZ-NEPJUHHUSA-N 1 2 270.329 0.569 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328734491 389134633 /nfs/dbraw/zinc/13/46/33/389134633.db2.gz IKVYMKZIVQIZBR-LPWJVIDDSA-N 1 2 284.356 0.610 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328734491 389134635 /nfs/dbraw/zinc/13/46/35/389134635.db2.gz IKVYMKZIVQIZBR-LPWJVIDDSA-N 1 2 284.356 0.610 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329665912 389184959 /nfs/dbraw/zinc/18/49/59/389184959.db2.gz KRYGHIHMUWUKJM-MCIONIFRSA-N 1 2 297.399 0.527 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329665912 389184961 /nfs/dbraw/zinc/18/49/61/389184961.db2.gz KRYGHIHMUWUKJM-MCIONIFRSA-N 1 2 297.399 0.527 20 30 CCEDLO CC#CCC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360493540 389199000 /nfs/dbraw/zinc/19/90/00/389199000.db2.gz YLCASDSTUQUQOT-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360493540 389199003 /nfs/dbraw/zinc/19/90/03/389199003.db2.gz YLCASDSTUQUQOT-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000360493546 389199138 /nfs/dbraw/zinc/19/91/38/389199138.db2.gz YLCASDSTUQUQOT-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000360493546 389199140 /nfs/dbraw/zinc/19/91/40/389199140.db2.gz YLCASDSTUQUQOT-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342223675 389201093 /nfs/dbraw/zinc/20/10/93/389201093.db2.gz SDEXOJYYTDWQNC-NWDGAFQWSA-N 1 2 263.341 0.746 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC(C)(C)OC2=O)CC1 ZINC000123669338 389157352 /nfs/dbraw/zinc/15/73/52/389157352.db2.gz HKZRKPOCTMCSAH-UHFFFAOYSA-N 1 2 251.330 0.426 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(O)CCCCC2)C1 ZINC000329386246 389161222 /nfs/dbraw/zinc/16/12/22/389161222.db2.gz SJLGZGRLDSFSSM-CYBMUJFWSA-N 1 2 298.431 0.431 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(O)CCCCC2)C1 ZINC000329386246 389161224 /nfs/dbraw/zinc/16/12/24/389161224.db2.gz SJLGZGRLDSFSSM-CYBMUJFWSA-N 1 2 298.431 0.431 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ncn1 ZINC000329425559 389163232 /nfs/dbraw/zinc/16/32/32/389163232.db2.gz FVWMCCYCOGZPAP-VHSXEESVSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000329425559 389163233 /nfs/dbraw/zinc/16/32/33/389163233.db2.gz FVWMCCYCOGZPAP-VHSXEESVSA-N 1 2 293.327 0.046 20 30 CCEDLO CO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000329504460 389167185 /nfs/dbraw/zinc/16/71/85/389167185.db2.gz ACBKJSSWZDNDGP-UMSGYPCISA-N 1 2 297.399 0.729 20 30 CCEDLO CO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000329504460 389167187 /nfs/dbraw/zinc/16/71/87/389167187.db2.gz ACBKJSSWZDNDGP-UMSGYPCISA-N 1 2 297.399 0.729 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127993956 389175311 /nfs/dbraw/zinc/17/53/11/389175311.db2.gz YHZOVHVIHGHZBA-MNOVXSKESA-N 1 2 291.317 0.693 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127993956 389175314 /nfs/dbraw/zinc/17/53/14/389175314.db2.gz YHZOVHVIHGHZBA-MNOVXSKESA-N 1 2 291.317 0.693 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC000128227742 389176161 /nfs/dbraw/zinc/17/61/61/389176161.db2.gz QWXFGUOZHIIRBO-UHFFFAOYSA-N 1 2 260.341 0.277 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330557788 389240710 /nfs/dbraw/zinc/24/07/10/389240710.db2.gz HWKBRDXVUSICFJ-QWRGUYRKSA-N 1 2 257.309 0.153 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330557788 389240713 /nfs/dbraw/zinc/24/07/13/389240713.db2.gz HWKBRDXVUSICFJ-QWRGUYRKSA-N 1 2 257.309 0.153 20 30 CCEDLO Cc1[nH]c2ccc(Cn3c(=O)c(C#N)cn(C)c3=O)cc2[nH+]1 ZINC000342689153 389241509 /nfs/dbraw/zinc/24/15/09/389241509.db2.gz SFLKVIJLOGVPRK-UHFFFAOYSA-N 1 2 295.302 0.652 20 30 CCEDLO Cc1[nH]c2cc(Cn3c(=O)c(C#N)cn(C)c3=O)ccc2[nH+]1 ZINC000342689153 389241512 /nfs/dbraw/zinc/24/15/12/389241512.db2.gz SFLKVIJLOGVPRK-UHFFFAOYSA-N 1 2 295.302 0.652 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccn(C)c(=O)c1 ZINC000330613612 389246649 /nfs/dbraw/zinc/24/66/49/389246649.db2.gz ACZFUUNGVIHFSS-LLVKDONJSA-N 1 2 279.340 0.411 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccn(C)c(=O)c1 ZINC000330613612 389246651 /nfs/dbraw/zinc/24/66/51/389246651.db2.gz ACZFUUNGVIHFSS-LLVKDONJSA-N 1 2 279.340 0.411 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363616777 389251427 /nfs/dbraw/zinc/25/14/27/389251427.db2.gz PWGOGHBBPQZKSP-MNOVXSKESA-N 1 2 267.329 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363616777 389251430 /nfs/dbraw/zinc/25/14/30/389251430.db2.gz PWGOGHBBPQZKSP-MNOVXSKESA-N 1 2 267.329 0.252 20 30 CCEDLO C=CCCC[C@H](C)[NH+]=c1[nH]c2c(c(=O)[nH]c(=O)n2C)n1C ZINC000342791207 389252769 /nfs/dbraw/zinc/25/27/69/389252769.db2.gz SWAXQWUUTOVJOM-VIFPVBQESA-N 1 2 291.355 0.951 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H]1CCCOCC1)C(=O)OC ZINC000361107882 389208502 /nfs/dbraw/zinc/20/85/02/389208502.db2.gz IVNGAGQVWOMPCJ-RYUDHWBXSA-N 1 2 257.330 0.889 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCC(=O)N1 ZINC000329927173 389211758 /nfs/dbraw/zinc/21/17/58/389211758.db2.gz WTPOFGKOBDNUCE-SNVBAGLBSA-N 1 2 267.329 0.927 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000342374279 389216547 /nfs/dbraw/zinc/21/65/47/389216547.db2.gz NFUJWWIDRSURBF-CYBMUJFWSA-N 1 2 284.400 0.740 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000330377556 389223143 /nfs/dbraw/zinc/22/31/43/389223143.db2.gz QFIVNBLMWORPKT-LLVKDONJSA-N 1 2 285.373 0.199 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330400000 389225356 /nfs/dbraw/zinc/22/53/56/389225356.db2.gz DLAVMFZTESSZSL-JTQLQIEISA-N 1 2 252.318 0.802 20 30 CCEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1=CCCC1 ZINC000330483957 389234613 /nfs/dbraw/zinc/23/46/13/389234613.db2.gz WXBSHVXOXZQWBS-GFCCVEGCSA-N 1 2 254.330 0.746 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000362371096 389234620 /nfs/dbraw/zinc/23/46/20/389234620.db2.gz PIYASRCQDSFNII-SDDRHHMPSA-N 1 2 255.362 0.969 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154274029 389311430 /nfs/dbraw/zinc/31/14/30/389311430.db2.gz KMCAQSGFXNZYQC-UHFFFAOYSA-N 1 2 267.329 0.253 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154274029 389311434 /nfs/dbraw/zinc/31/14/34/389311434.db2.gz KMCAQSGFXNZYQC-UHFFFAOYSA-N 1 2 267.329 0.253 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000366912767 389312584 /nfs/dbraw/zinc/31/25/84/389312584.db2.gz SGVSFVFLHZNFAM-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000366912767 389312585 /nfs/dbraw/zinc/31/25/85/389312585.db2.gz SGVSFVFLHZNFAM-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO COC(=O)[C@H]1CCC[N@H+](CCCC#N)[C@@H]1C(=O)OC ZINC000156271888 389325586 /nfs/dbraw/zinc/32/55/86/389325586.db2.gz MSXGFCFZJGIJFV-QWRGUYRKSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@H]1CCC[N@@H+](CCCC#N)[C@@H]1C(=O)OC ZINC000156271888 389325590 /nfs/dbraw/zinc/32/55/90/389325590.db2.gz MSXGFCFZJGIJFV-QWRGUYRKSA-N 1 2 268.313 0.717 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157550421 389332954 /nfs/dbraw/zinc/33/29/54/389332954.db2.gz KUDWJLZLONBYIJ-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157550421 389332956 /nfs/dbraw/zinc/33/29/56/389332956.db2.gz KUDWJLZLONBYIJ-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264527553 389334005 /nfs/dbraw/zinc/33/40/05/389334005.db2.gz CKCHQMSJEWQYIV-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264527553 389334008 /nfs/dbraw/zinc/33/40/08/389334008.db2.gz CKCHQMSJEWQYIV-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000151227987 389275888 /nfs/dbraw/zinc/27/58/88/389275888.db2.gz JGICUJFMCQLXEV-ZIAGYGMSSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720897 389283760 /nfs/dbraw/zinc/28/37/60/389283760.db2.gz HJDZNIZEUCMIKA-UWVGGRQHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720897 389283762 /nfs/dbraw/zinc/28/37/62/389283762.db2.gz HJDZNIZEUCMIKA-UWVGGRQHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cn[nH]n1 ZINC000331036424 389291273 /nfs/dbraw/zinc/29/12/73/389291273.db2.gz NLHYNZQRKNHNNJ-JTQLQIEISA-N 1 2 266.349 0.135 20 30 CCEDLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn[nH]n1 ZINC000331036424 389291276 /nfs/dbraw/zinc/29/12/76/389291276.db2.gz NLHYNZQRKNHNNJ-JTQLQIEISA-N 1 2 266.349 0.135 20 30 CCEDLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn[nH]1 ZINC000331036424 389291279 /nfs/dbraw/zinc/29/12/79/389291279.db2.gz NLHYNZQRKNHNNJ-JTQLQIEISA-N 1 2 266.349 0.135 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366088589 389292372 /nfs/dbraw/zinc/29/23/72/389292372.db2.gz SIEVMWBAERWZSL-NSHDSACASA-N 1 2 251.330 0.469 20 30 CCEDLO NC(COc1ccccc1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000263850821 389302585 /nfs/dbraw/zinc/30/25/85/389302585.db2.gz CPFXCSMWCPIDBT-JTQLQIEISA-N 1 2 265.269 0.463 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238497 389409162 /nfs/dbraw/zinc/40/91/62/389409162.db2.gz KCKGYSSKOXMEAU-IUCAKERBSA-N 1 2 266.301 0.726 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000347017515 389345176 /nfs/dbraw/zinc/34/51/76/389345176.db2.gz DRKXOJRECOSVKK-AVGNSLFASA-N 1 2 295.383 0.673 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000347017515 389345180 /nfs/dbraw/zinc/34/51/80/389345180.db2.gz DRKXOJRECOSVKK-AVGNSLFASA-N 1 2 295.383 0.673 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000158944873 389355467 /nfs/dbraw/zinc/35/54/67/389355467.db2.gz VLUCZZFUENLMLM-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000348095412 389364950 /nfs/dbraw/zinc/36/49/50/389364950.db2.gz LOFXASGJORSVDS-IUCAKERBSA-N 1 2 265.317 0.789 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nncn1C ZINC000274145155 389490167 /nfs/dbraw/zinc/49/01/67/389490167.db2.gz ZVPTXDFGSVETOU-SNVBAGLBSA-N 1 2 284.323 0.976 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000269493479 389422334 /nfs/dbraw/zinc/42/23/34/389422334.db2.gz ONKAQGJNVSEYJE-ZDUSSCGKSA-N 1 2 287.323 0.878 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H]2CCO[C@H]2C)CC1 ZINC000163789636 389430074 /nfs/dbraw/zinc/43/00/74/389430074.db2.gz CDHDHOMXEZVCJY-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO CC#CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000270622263 389433977 /nfs/dbraw/zinc/43/39/77/389433977.db2.gz CSHOXYLUTZWPSE-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411877634 389454480 /nfs/dbraw/zinc/45/44/80/389454480.db2.gz RLBSUEIWUSOYST-AAEUAGOBSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411877634 389454481 /nfs/dbraw/zinc/45/44/81/389454481.db2.gz RLBSUEIWUSOYST-AAEUAGOBSA-N 1 2 295.383 0.888 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334977467 389514064 /nfs/dbraw/zinc/51/40/64/389514064.db2.gz JNAFYGGNEVAIME-SNVBAGLBSA-N 1 2 269.308 0.907 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334977467 389514068 /nfs/dbraw/zinc/51/40/68/389514068.db2.gz JNAFYGGNEVAIME-SNVBAGLBSA-N 1 2 269.308 0.907 20 30 CCEDLO O=C1CO[C@@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]2N1 ZINC000334643570 389499825 /nfs/dbraw/zinc/49/98/25/389499825.db2.gz FZXPVUDSGFFMMM-HUUCEWRRSA-N 1 2 270.332 0.627 20 30 CCEDLO O=C1CO[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]2N1 ZINC000334643570 389499831 /nfs/dbraw/zinc/49/98/31/389499831.db2.gz FZXPVUDSGFFMMM-HUUCEWRRSA-N 1 2 270.332 0.627 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000335832909 389611982 /nfs/dbraw/zinc/61/19/82/389611982.db2.gz HUYIPWLNXGQMHK-KGLIPLIRSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000335832909 389611984 /nfs/dbraw/zinc/61/19/84/389611984.db2.gz HUYIPWLNXGQMHK-KGLIPLIRSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC000281579282 389619585 /nfs/dbraw/zinc/61/95/85/389619585.db2.gz BJBNRAZGNUJUBN-NSHDSACASA-N 1 2 262.313 0.128 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(C)C ZINC000351446291 389583182 /nfs/dbraw/zinc/58/31/82/389583182.db2.gz SERRWBBVGUBZCQ-ZDUSSCGKSA-N 1 2 281.356 0.536 20 30 CCEDLO CCOC1(C)CN(C[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000414124242 389602016 /nfs/dbraw/zinc/60/20/16/389602016.db2.gz KKAXDCSRBLRQRI-LBPRGKRZSA-N 1 2 255.362 0.304 20 30 CCEDLO CCOC1(C)CN(C[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000414124242 389602018 /nfs/dbraw/zinc/60/20/18/389602018.db2.gz KKAXDCSRBLRQRI-LBPRGKRZSA-N 1 2 255.362 0.304 20 30 CCEDLO CC(C)[C@@H]([NH2+]CC(=O)NCC#N)c1nc(C2CC2)no1 ZINC000179812707 389663499 /nfs/dbraw/zinc/66/34/99/389663499.db2.gz FPWWWDBKQJWHHJ-LLVKDONJSA-N 1 2 277.328 0.873 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000181712572 389692150 /nfs/dbraw/zinc/69/21/50/389692150.db2.gz FZOVUSCANRILDZ-UHFFFAOYSA-N 1 2 258.281 0.366 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399869679 389795105 /nfs/dbraw/zinc/79/51/05/389795105.db2.gz BDXFYWZVLHLZJU-CYBMUJFWSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399869679 389795109 /nfs/dbraw/zinc/79/51/09/389795109.db2.gz BDXFYWZVLHLZJU-CYBMUJFWSA-N 1 2 250.273 0.890 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376317155 389733155 /nfs/dbraw/zinc/73/31/55/389733155.db2.gz SGOWADGPBYHXGH-ZDUSSCGKSA-N 1 2 286.397 0.136 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCC1(CC#N)CC1 ZINC000430361452 389797394 /nfs/dbraw/zinc/79/73/94/389797394.db2.gz ZFEJMGHKAMTIJR-UHFFFAOYSA-N 1 2 288.307 0.839 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)C1=O ZINC000352362109 389797722 /nfs/dbraw/zinc/79/77/22/389797722.db2.gz NMWPCGSEAUHMPD-UKRRQHHQSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@]3(CCCOC3)C2)C1=O ZINC000352362109 389797725 /nfs/dbraw/zinc/79/77/25/389797725.db2.gz NMWPCGSEAUHMPD-UKRRQHHQSA-N 1 2 280.368 0.655 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000444382509 389905191 /nfs/dbraw/zinc/90/51/91/389905191.db2.gz OCEPHTGHJNCJFP-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[N@H+](CC(=O)NCCCN1CCCC1=O)CC(C)(C)C#N ZINC000433282885 389907778 /nfs/dbraw/zinc/90/77/78/389907778.db2.gz BWHHZPHSZQXBSG-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)CC(C)(C)C#N ZINC000433282885 389907780 /nfs/dbraw/zinc/90/77/80/389907780.db2.gz BWHHZPHSZQXBSG-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@@H](C#N)CN(C)CC(O)C[N@H+](C)C[C@@H](C)C#N ZINC000447347540 389952304 /nfs/dbraw/zinc/95/23/04/389952304.db2.gz LRWFKYMYBKPFEA-RYUDHWBXSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@@H](C#N)CN(C)CC(O)C[N@@H+](C)C[C@@H](C)C#N ZINC000447347540 389952306 /nfs/dbraw/zinc/95/23/06/389952306.db2.gz LRWFKYMYBKPFEA-RYUDHWBXSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950905 390040176 /nfs/dbraw/zinc/04/01/76/390040176.db2.gz XPGXJWCCPDSBSK-RYUDHWBXSA-N 1 2 283.372 0.219 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950905 390040178 /nfs/dbraw/zinc/04/01/78/390040178.db2.gz XPGXJWCCPDSBSK-RYUDHWBXSA-N 1 2 283.372 0.219 20 30 CCEDLO CCC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000450462649 389996646 /nfs/dbraw/zinc/99/66/46/389996646.db2.gz IEPBLLHUWJXTGJ-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO CCC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450462649 389996649 /nfs/dbraw/zinc/99/66/49/389996649.db2.gz IEPBLLHUWJXTGJ-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO CCC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462649 389996650 /nfs/dbraw/zinc/99/66/50/389996650.db2.gz IEPBLLHUWJXTGJ-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)C1COC1 ZINC000451287679 390001577 /nfs/dbraw/zinc/00/15/77/390001577.db2.gz RVRCLDWEDLCMCG-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)C1COC1 ZINC000451287679 390001578 /nfs/dbraw/zinc/00/15/78/390001578.db2.gz RVRCLDWEDLCMCG-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420453767 390006496 /nfs/dbraw/zinc/00/64/96/390006496.db2.gz XMLPUDJXZSVDSA-VIFPVBQESA-N 1 2 268.329 0.727 20 30 CCEDLO CC(C)(O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000471954415 390080093 /nfs/dbraw/zinc/08/00/93/390080093.db2.gz OUQHINMMAWGNRF-UHFFFAOYSA-N 1 2 283.372 0.222 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C)CC1 ZINC000491305358 390111712 /nfs/dbraw/zinc/11/17/12/390111712.db2.gz IQHZBJSKBLYDIY-LBPRGKRZSA-N 1 2 275.356 0.074 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491429992 390113443 /nfs/dbraw/zinc/11/34/43/390113443.db2.gz WSTXMOIVNZEXSO-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491429992 390113444 /nfs/dbraw/zinc/11/34/44/390113444.db2.gz WSTXMOIVNZEXSO-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491710067 390116238 /nfs/dbraw/zinc/11/62/38/390116238.db2.gz RUCAONDDIOPQTN-OLZOCXBDSA-N 1 2 269.366 0.801 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491710067 390116239 /nfs/dbraw/zinc/11/62/39/390116239.db2.gz RUCAONDDIOPQTN-OLZOCXBDSA-N 1 2 269.366 0.801 20 30 CCEDLO Cc1cncc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000579124773 390144252 /nfs/dbraw/zinc/14/42/52/390144252.db2.gz SREJUHIGBMJMDF-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494222653 390159220 /nfs/dbraw/zinc/15/92/20/390159220.db2.gz HITBKXSVUNIOEU-AWEZNQCLSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494222653 390159224 /nfs/dbraw/zinc/15/92/24/390159224.db2.gz HITBKXSVUNIOEU-AWEZNQCLSA-N 1 2 297.399 0.694 20 30 CCEDLO Cc1c[nH+]c(C)nc1NCCCc1[nH]nc(N)c1C#N ZINC000579293097 390160560 /nfs/dbraw/zinc/16/05/60/390160560.db2.gz NWZAZYKANCEWJS-UHFFFAOYSA-N 1 2 271.328 0.567 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000579314617 390161661 /nfs/dbraw/zinc/16/16/61/390161661.db2.gz NOVLSUOZYNLVQM-SNVBAGLBSA-N 1 2 276.340 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000579314617 390161663 /nfs/dbraw/zinc/16/16/63/390161663.db2.gz NOVLSUOZYNLVQM-SNVBAGLBSA-N 1 2 276.340 0.645 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(COC)CC2)c1C#N ZINC000540918074 390229164 /nfs/dbraw/zinc/22/91/64/390229164.db2.gz KAMYJQDZMRJABH-UHFFFAOYSA-N 1 2 291.355 0.220 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CC1 ZINC000541707954 390244897 /nfs/dbraw/zinc/24/48/97/390244897.db2.gz BWPZCVZXCJRSNB-GFCCVEGCSA-N 1 2 251.374 0.799 20 30 CCEDLO Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)c[nH+]1 ZINC000545198434 390318549 /nfs/dbraw/zinc/31/85/49/390318549.db2.gz ZFASAHZDRDUMSH-SNVBAGLBSA-N 1 2 270.296 0.783 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000648753459 390402104 /nfs/dbraw/zinc/40/21/04/390402104.db2.gz VQJLYZBXWRRSOJ-UHFFFAOYSA-N 1 2 261.329 0.384 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000645162336 390380621 /nfs/dbraw/zinc/38/06/21/390380621.db2.gz VRVAPMKFIALMMC-ZDUSSCGKSA-N 1 2 290.367 0.721 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cc2ccccc2n1 ZINC000564091043 390494912 /nfs/dbraw/zinc/49/49/12/390494912.db2.gz ZLEQXTAANCRXKO-OAHLLOKOSA-N 1 2 285.351 0.996 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(C)C ZINC000519420296 390500185 /nfs/dbraw/zinc/50/01/85/390500185.db2.gz BAQXIAHJWUKLAS-SNVBAGLBSA-N 1 2 254.334 0.750 20 30 CCEDLO CC(C)N1CC[C@@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000565429805 390514093 /nfs/dbraw/zinc/51/40/93/390514093.db2.gz KYXNBORKDMRNGN-GFCCVEGCSA-N 1 2 278.356 0.054 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646035987 390579256 /nfs/dbraw/zinc/57/92/56/390579256.db2.gz ZQRQQCOTIKFCMX-STQMWFEESA-N 1 2 289.397 0.203 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646035987 390579259 /nfs/dbraw/zinc/57/92/59/390579259.db2.gz ZQRQQCOTIKFCMX-STQMWFEESA-N 1 2 289.397 0.203 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOC[C@H]1CCCO1 ZINC000566309931 390596691 /nfs/dbraw/zinc/59/66/91/390596691.db2.gz YCKFJFUWLJCVRL-TZMCWYRMSA-N 1 2 283.372 0.532 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCOCC1 ZINC000570454230 390718674 /nfs/dbraw/zinc/71/86/74/390718674.db2.gz BPXFPGCSMICHIP-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000528628774 390764357 /nfs/dbraw/zinc/76/43/57/390764357.db2.gz MCKSEXMWXGXOKN-GHMZBOCLSA-N 1 2 254.334 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@H](C)CCC#N)CCO1 ZINC000528628774 390764359 /nfs/dbraw/zinc/76/43/59/390764359.db2.gz MCKSEXMWXGXOKN-GHMZBOCLSA-N 1 2 254.334 0.308 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cn1 ZINC000529287846 390802194 /nfs/dbraw/zinc/80/21/94/390802194.db2.gz XMCJIHIJAWIJRQ-HNNXBMFYSA-N 1 2 299.378 0.002 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cn1 ZINC000529287846 390802195 /nfs/dbraw/zinc/80/21/95/390802195.db2.gz XMCJIHIJAWIJRQ-HNNXBMFYSA-N 1 2 299.378 0.002 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000577951011 390854680 /nfs/dbraw/zinc/85/46/80/390854680.db2.gz QWTNMVPDNLYLAX-ZDUSSCGKSA-N 1 2 268.361 0.109 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000577951011 390854682 /nfs/dbraw/zinc/85/46/82/390854682.db2.gz QWTNMVPDNLYLAX-ZDUSSCGKSA-N 1 2 268.361 0.109 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000532326702 390879546 /nfs/dbraw/zinc/87/95/46/390879546.db2.gz LBZSXZPKBBFYAK-MBHSVXNSSA-N 1 2 265.357 0.763 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000532326702 390879550 /nfs/dbraw/zinc/87/95/50/390879550.db2.gz LBZSXZPKBBFYAK-MBHSVXNSSA-N 1 2 265.357 0.763 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(SC)n2)CC1 ZINC000263889055 131354317 /nfs/dbraw/zinc/35/43/17/131354317.db2.gz YMXAMJJMGJSACT-UHFFFAOYSA-N 1 2 279.369 0.810 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(SC)n[nH]2)CC1 ZINC000263889055 131354318 /nfs/dbraw/zinc/35/43/18/131354318.db2.gz YMXAMJJMGJSACT-UHFFFAOYSA-N 1 2 279.369 0.810 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000358623173 144167115 /nfs/dbraw/zinc/16/71/15/144167115.db2.gz BYHNNMLCUAPNTF-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000358623173 144167117 /nfs/dbraw/zinc/16/71/17/144167117.db2.gz BYHNNMLCUAPNTF-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CN1CCC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000358987318 144189208 /nfs/dbraw/zinc/18/92/08/144189208.db2.gz LUFVRONHLIZLOJ-OLZOCXBDSA-N 1 2 286.335 0.295 20 30 CCEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc(C)n1 ZINC000565428295 397577543 /nfs/dbraw/zinc/57/75/43/397577543.db2.gz NIUJOWJHQCIVEW-CYBMUJFWSA-N 1 2 261.329 0.667 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000649537607 397630627 /nfs/dbraw/zinc/63/06/27/397630627.db2.gz AMUANFDIENOUGG-SNVBAGLBSA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000649537607 397630629 /nfs/dbraw/zinc/63/06/29/397630629.db2.gz AMUANFDIENOUGG-SNVBAGLBSA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537607 397630630 /nfs/dbraw/zinc/63/06/30/397630630.db2.gz AMUANFDIENOUGG-SNVBAGLBSA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537607 397630632 /nfs/dbraw/zinc/63/06/32/397630632.db2.gz AMUANFDIENOUGG-SNVBAGLBSA-N 1 2 251.286 0.604 20 30 CCEDLO Cc1nsc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000285535742 196318329 /nfs/dbraw/zinc/31/83/29/196318329.db2.gz HOSQWUSNOMALRW-JTQLQIEISA-N 1 2 282.369 0.428 20 30 CCEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccn1 ZINC000285662588 196358421 /nfs/dbraw/zinc/35/84/21/196358421.db2.gz OZLPFWLSRZMGID-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)no2)C1=O ZINC000660467199 414343598 /nfs/dbraw/zinc/34/35/98/414343598.db2.gz LGFYLTJGOMRCBE-NSHDSACASA-N 1 2 265.313 0.902 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)no2)C1=O ZINC000660467199 414343602 /nfs/dbraw/zinc/34/36/02/414343602.db2.gz LGFYLTJGOMRCBE-NSHDSACASA-N 1 2 265.313 0.902 20 30 CCEDLO CC(=O)c1[nH]c(CC[N@@H+]2CC[C@@](O)(CC#N)C2)nc1C ZINC000660901212 414524747 /nfs/dbraw/zinc/52/47/47/414524747.db2.gz VXJWRGFIWLEQFN-AWEZNQCLSA-N 1 2 276.340 0.814 20 30 CCEDLO CC(=O)c1[nH]c(CC[N@H+]2CC[C@@](O)(CC#N)C2)nc1C ZINC000660901212 414524752 /nfs/dbraw/zinc/52/47/52/414524752.db2.gz VXJWRGFIWLEQFN-AWEZNQCLSA-N 1 2 276.340 0.814 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661007195 414543830 /nfs/dbraw/zinc/54/38/30/414543830.db2.gz IESXXHCIQMYSJG-JTQLQIEISA-N 1 2 252.318 0.983 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@H](C)c2[nH+]ccn2C)C1=O ZINC000663326628 415044281 /nfs/dbraw/zinc/04/42/81/415044281.db2.gz CWERPTDONKCIKC-NXEZZACHSA-N 1 2 278.312 0.604 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCSC2=S)CC1 ZINC000071845344 176275591 /nfs/dbraw/zinc/27/55/91/176275591.db2.gz AAGPJVSLTLPBCA-UHFFFAOYSA-N 1 2 255.412 0.528 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1COCCN1C)[C@H](C)[NH+]1CCOCC1 ZINC000329056843 227275169 /nfs/dbraw/zinc/27/51/69/227275169.db2.gz YCIYXEDYCOOPSZ-AVGNSLFASA-N 1 2 285.388 0.383 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCCCC1=O ZINC000329104408 227300783 /nfs/dbraw/zinc/30/07/83/227300783.db2.gz OBGUIQCZGBINHV-GFCCVEGCSA-N 1 2 283.372 0.676 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCCCC1=O ZINC000329104408 227300787 /nfs/dbraw/zinc/30/07/87/227300787.db2.gz OBGUIQCZGBINHV-GFCCVEGCSA-N 1 2 283.372 0.676 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330239514 228076715 /nfs/dbraw/zinc/07/67/15/228076715.db2.gz DTIKJIJGHPRPHH-VHSXEESVSA-N 1 2 297.384 0.275 20 30 CCEDLO Cc1nnsc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330239514 228076718 /nfs/dbraw/zinc/07/67/18/228076718.db2.gz DTIKJIJGHPRPHH-VHSXEESVSA-N 1 2 297.384 0.275 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCNC(=O)C2CC2)C1 ZINC000329432793 545022911 /nfs/dbraw/zinc/02/29/11/545022911.db2.gz IFJDCLURLOZFGL-GFCCVEGCSA-N 1 2 297.403 0.102 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCNC(=O)C2CC2)C1 ZINC000329432793 545022913 /nfs/dbraw/zinc/02/29/13/545022913.db2.gz IFJDCLURLOZFGL-GFCCVEGCSA-N 1 2 297.403 0.102 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000329622529 545024310 /nfs/dbraw/zinc/02/43/10/545024310.db2.gz RTMIEOLKYPEJPM-SNVBAGLBSA-N 1 2 279.344 0.832 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000338218245 545052493 /nfs/dbraw/zinc/05/24/93/545052493.db2.gz WOFYJDVKZISTRG-HNNXBMFYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000341461554 545055530 /nfs/dbraw/zinc/05/55/30/545055530.db2.gz MGOSOUUFBQSOHR-CQSZACIVSA-N 1 2 299.415 0.677 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000157662709 260854255 /nfs/dbraw/zinc/85/42/55/260854255.db2.gz REGXOZTZORDHNW-NEPJUHHUSA-N 1 2 294.399 0.580 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000157662709 260854257 /nfs/dbraw/zinc/85/42/57/260854257.db2.gz REGXOZTZORDHNW-NEPJUHHUSA-N 1 2 294.399 0.580 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000360725712 261096893 /nfs/dbraw/zinc/09/68/93/261096893.db2.gz MRJHEVQZVWUPPS-LLVKDONJSA-N 1 2 281.312 0.134 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000490761955 261203547 /nfs/dbraw/zinc/20/35/47/261203547.db2.gz YIWYMHPCRYBFCN-GJZGRUSLSA-N 1 2 275.396 0.986 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CON=C2CCCOCC2)CC1 ZINC000490925061 261249265 /nfs/dbraw/zinc/24/92/65/261249265.db2.gz UABQEJMENDHSSG-UHFFFAOYSA-N 1 2 293.367 0.337 20 30 CCEDLO CCN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](C)C#N ZINC000303255839 261357429 /nfs/dbraw/zinc/35/74/29/261357429.db2.gz HHODNEUBJHBHHH-CHWSQXEVSA-N 1 2 255.362 0.161 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(O)(CC#N)C1 ZINC000491984944 262171292 /nfs/dbraw/zinc/17/12/92/262171292.db2.gz RVPDWSJNDLQLIE-ONEGZZNKSA-N 1 2 260.297 0.403 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOCCC#N ZINC000339099886 262599069 /nfs/dbraw/zinc/59/90/69/262599069.db2.gz DRUJVPHTWWAMGY-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOCCC#N ZINC000339099886 262599070 /nfs/dbraw/zinc/59/90/70/262599070.db2.gz DRUJVPHTWWAMGY-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCCO)c1 ZINC000271874319 263000083 /nfs/dbraw/zinc/00/00/83/263000083.db2.gz LANYEYUCKVYBTQ-UHFFFAOYSA-N 1 2 282.296 0.523 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000282055342 263073841 /nfs/dbraw/zinc/07/38/41/263073841.db2.gz RVSXZJQFSXUXHW-ONGXEEELSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000282055342 263073842 /nfs/dbraw/zinc/07/38/42/263073842.db2.gz RVSXZJQFSXUXHW-ONGXEEELSA-N 1 2 278.274 0.772 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000283013491 263080560 /nfs/dbraw/zinc/08/05/60/263080560.db2.gz ZUMKWWPOPAKEDO-GHMZBOCLSA-N 1 2 285.373 0.197 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340226603 263098293 /nfs/dbraw/zinc/09/82/93/263098293.db2.gz SBRWWZYCENGIAN-SUNKGSAMSA-N 1 2 280.372 0.250 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226603 263098294 /nfs/dbraw/zinc/09/82/94/263098294.db2.gz SBRWWZYCENGIAN-SUNKGSAMSA-N 1 2 280.372 0.250 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340228642 263098411 /nfs/dbraw/zinc/09/84/11/263098411.db2.gz MCYBFXFSXLTNOI-UHFFFAOYSA-N 1 2 290.367 0.846 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340292268 263105609 /nfs/dbraw/zinc/10/56/09/263105609.db2.gz SVARSGNJVXEWDW-BZUAXINKSA-N 1 2 287.363 0.629 20 30 CCEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000340758588 263304089 /nfs/dbraw/zinc/30/40/89/263304089.db2.gz PWRIIIRYYYZEPZ-ZDUSSCGKSA-N 1 2 282.388 0.059 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000330672151 264013535 /nfs/dbraw/zinc/01/35/35/264013535.db2.gz XGWIHBJJSCAPRH-VIFPVBQESA-N 1 2 275.374 0.100 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330739616 264038115 /nfs/dbraw/zinc/03/81/15/264038115.db2.gz ADVHBXOTWVAFOM-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330739616 264038118 /nfs/dbraw/zinc/03/81/18/264038118.db2.gz ADVHBXOTWVAFOM-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO COC(=O)c1cn(C2CC[NH+](CCC#N)CC2)nn1 ZINC000330797941 264040715 /nfs/dbraw/zinc/04/07/15/264040715.db2.gz BBNGVJIPXNVYQG-UHFFFAOYSA-N 1 2 263.301 0.615 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](CCO)C1 ZINC000330934368 264080030 /nfs/dbraw/zinc/08/00/30/264080030.db2.gz IGXCPULXBLNPNV-CHWSQXEVSA-N 1 2 285.388 0.325 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000330936265 264081057 /nfs/dbraw/zinc/08/10/57/264081057.db2.gz RFHMZVJSAMNQDV-MNOVXSKESA-N 1 2 266.345 0.975 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330945685 264084693 /nfs/dbraw/zinc/08/46/93/264084693.db2.gz HFELDOKOFVUTAX-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330947204 264085081 /nfs/dbraw/zinc/08/50/81/264085081.db2.gz HJAHGDRBCHAOFR-JTQLQIEISA-N 1 2 265.313 0.731 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330947204 264085083 /nfs/dbraw/zinc/08/50/83/264085083.db2.gz HJAHGDRBCHAOFR-JTQLQIEISA-N 1 2 265.313 0.731 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@H](CCO)C2)CCO1 ZINC000330933619 264097535 /nfs/dbraw/zinc/09/75/35/264097535.db2.gz DTPAHBGQDYMKJY-CYBMUJFWSA-N 1 2 299.415 0.716 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H](CCO)C2)CCO1 ZINC000330933619 264097537 /nfs/dbraw/zinc/09/75/37/264097537.db2.gz DTPAHBGQDYMKJY-CYBMUJFWSA-N 1 2 299.415 0.716 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000330995033 264105011 /nfs/dbraw/zinc/10/50/11/264105011.db2.gz OEACIEQBXBPICD-CHWSQXEVSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000330995033 264105012 /nfs/dbraw/zinc/10/50/12/264105012.db2.gz OEACIEQBXBPICD-CHWSQXEVSA-N 1 2 277.299 0.837 20 30 CCEDLO CCC[C@](C)(CO)NC(=O)NCc1[nH+]ccn1C ZINC000331281537 264171860 /nfs/dbraw/zinc/17/18/60/264171860.db2.gz CQOBSKVVLPOLQZ-GFCCVEGCSA-N 1 2 254.334 0.975 20 30 CCEDLO Cc1cccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1O ZINC000331246308 264179116 /nfs/dbraw/zinc/17/91/16/264179116.db2.gz UUYNCQITDWMIPL-LBPRGKRZSA-N 1 2 294.351 0.698 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331248288 264180343 /nfs/dbraw/zinc/18/03/43/264180343.db2.gz WUFXZAXZIBRBGH-NSHDSACASA-N 1 2 295.339 0.093 20 30 CCEDLO N#CCC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000425994751 264281556 /nfs/dbraw/zinc/28/15/56/264281556.db2.gz RCRXPBUKBTVXFB-UHFFFAOYSA-N 1 2 252.343 0.983 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000074989773 264319264 /nfs/dbraw/zinc/31/92/64/264319264.db2.gz UFQPWNLYXSMBRU-UHFFFAOYSA-N 1 2 291.442 0.601 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000076412202 264338712 /nfs/dbraw/zinc/33/87/12/264338712.db2.gz YXPGFAZENAQSNL-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000077367778 264351206 /nfs/dbraw/zinc/35/12/06/264351206.db2.gz PMTTZJDDRBLRNW-BETUJISGSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000077367778 264351210 /nfs/dbraw/zinc/35/12/10/264351210.db2.gz PMTTZJDDRBLRNW-BETUJISGSA-N 1 2 278.356 0.752 20 30 CCEDLO C=C(Br)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000284424778 264529243 /nfs/dbraw/zinc/52/92/43/264529243.db2.gz YEFCJROBTPAWGG-UHFFFAOYSA-N 1 2 263.135 0.207 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCCC#N ZINC000356374516 266104124 /nfs/dbraw/zinc/10/41/24/266104124.db2.gz NXCXZIBDRJEWGO-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCCC#N ZINC000356374516 266104126 /nfs/dbraw/zinc/10/41/26/266104126.db2.gz NXCXZIBDRJEWGO-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000356847014 266187169 /nfs/dbraw/zinc/18/71/69/266187169.db2.gz JQDUQSIIFBHWQV-KGLIPLIRSA-N 1 2 284.400 0.787 20 30 CCEDLO CC(C)(C#N)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000357148477 266255012 /nfs/dbraw/zinc/25/50/12/266255012.db2.gz ZXIKAASMDPRBMU-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000357670057 266343592 /nfs/dbraw/zinc/34/35/92/266343592.db2.gz FIJBUWSMYGIRHB-LLVKDONJSA-N 1 2 281.312 0.203 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000357670057 266343596 /nfs/dbraw/zinc/34/35/96/266343596.db2.gz FIJBUWSMYGIRHB-LLVKDONJSA-N 1 2 281.312 0.203 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000357822589 266372707 /nfs/dbraw/zinc/37/27/07/266372707.db2.gz HXOKZLFSBWUOBD-LBPRGKRZSA-N 1 2 258.325 0.885 20 30 CCEDLO Cc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000357923024 266386262 /nfs/dbraw/zinc/38/62/62/266386262.db2.gz YESCQAREMRFJBJ-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CC1(C#N)CC1 ZINC000361499991 266835205 /nfs/dbraw/zinc/83/52/05/266835205.db2.gz YFEHMJIIYBZICG-UHFFFAOYSA-N 1 2 268.342 0.485 20 30 CCEDLO C=C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000362616809 267023952 /nfs/dbraw/zinc/02/39/52/267023952.db2.gz YEHBSHQYRNQDFB-CYBMUJFWSA-N 1 2 274.368 0.894 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370032479 267284782 /nfs/dbraw/zinc/28/47/82/267284782.db2.gz LHFAYUGTJSZWTO-ZYHUDNBSSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370032479 267284785 /nfs/dbraw/zinc/28/47/85/267284785.db2.gz LHFAYUGTJSZWTO-ZYHUDNBSSA-N 1 2 281.356 0.498 20 30 CCEDLO C[NH+]1CCN(CC/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000017701538 290041039 /nfs/dbraw/zinc/04/10/39/290041039.db2.gz IQEVTEGKGCGCIV-RVDMUPIBSA-N 1 2 292.339 0.967 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000269258324 303206239 /nfs/dbraw/zinc/20/62/39/303206239.db2.gz CKUGPKLXABZSFB-CQSZACIVSA-N 1 2 270.336 0.569 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000336923657 327948148 /nfs/dbraw/zinc/94/81/48/327948148.db2.gz SSFLZYFDSOIEIG-NEPJUHHUSA-N 1 2 299.400 0.588 20 30 CCEDLO Cc1ccncc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565164381 328057279 /nfs/dbraw/zinc/05/72/79/328057279.db2.gz OEBCPYRFFBJIQM-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC000563469817 328068945 /nfs/dbraw/zinc/06/89/45/328068945.db2.gz QJOWWNLCSQZEEK-NEPJUHHUSA-N 1 2 289.339 0.805 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(OC)cc1 ZINC000076185389 328485764 /nfs/dbraw/zinc/48/57/64/328485764.db2.gz XBBOKANKZVEEBU-UHFFFAOYSA-N 1 2 270.332 0.880 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000076185979 328485844 /nfs/dbraw/zinc/48/58/44/328485844.db2.gz CNZQSYIAABEMHL-JTQLQIEISA-N 1 2 258.243 0.718 20 30 CCEDLO C=CC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000563889184 328552081 /nfs/dbraw/zinc/55/20/81/328552081.db2.gz HDSRXXIGUJMTEW-UHFFFAOYSA-N 1 2 295.408 0.825 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000521048887 327016875 /nfs/dbraw/zinc/01/68/75/327016875.db2.gz DKDBFJNKMYOVQL-LBPRGKRZSA-N 1 2 250.302 0.141 20 30 CCEDLO N#Cc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000092314839 327191983 /nfs/dbraw/zinc/19/19/83/327191983.db2.gz UATORHJBZQJTKJ-UHFFFAOYSA-N 1 2 274.324 0.679 20 30 CCEDLO Cn1cc(N2CC[C@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000111209681 327277550 /nfs/dbraw/zinc/27/75/50/327277550.db2.gz NRSOVUFIWVNZPR-ZDUSSCGKSA-N 1 2 273.340 0.761 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375125251 329001021 /nfs/dbraw/zinc/00/10/21/329001021.db2.gz MRUDWVZMZCCSTG-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375125251 329001022 /nfs/dbraw/zinc/00/10/22/329001022.db2.gz MRUDWVZMZCCSTG-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000583697178 329068682 /nfs/dbraw/zinc/06/86/82/329068682.db2.gz VORDODYQFIEXIJ-GWCFXTLKSA-N 1 2 263.345 0.484 20 30 CCEDLO C=CCC1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCC1 ZINC000189068675 329375682 /nfs/dbraw/zinc/37/56/82/329375682.db2.gz QBUTWNSPVBCUBA-AWEZNQCLSA-N 1 2 296.411 0.884 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cncs1 ZINC000584414107 329462233 /nfs/dbraw/zinc/46/22/33/329462233.db2.gz IIXVRBYJCRXMOI-LLVKDONJSA-N 1 2 252.343 0.646 20 30 CCEDLO CCCCNC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686391 329968634 /nfs/dbraw/zinc/96/86/34/329968634.db2.gz QYVGTHGNRFYVOL-UHFFFAOYSA-N 1 2 296.415 0.451 20 30 CCEDLO C#CC[N@@H+](CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000108866237 330358203 /nfs/dbraw/zinc/35/82/03/330358203.db2.gz DPIZWXYPZIPYRV-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000108866237 330358204 /nfs/dbraw/zinc/35/82/04/330358204.db2.gz DPIZWXYPZIPYRV-AWEZNQCLSA-N 1 2 278.377 0.746 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[nH]n1CCC#N ZINC000515063396 330469754 /nfs/dbraw/zinc/46/97/54/330469754.db2.gz LRJQFAICYLFLLG-GFCCVEGCSA-N 1 2 298.350 0.925 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000429669953 330551685 /nfs/dbraw/zinc/55/16/85/330551685.db2.gz IKJSZWJTVNCFEW-HNNXBMFYSA-N 1 2 291.351 0.752 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447355081 330865496 /nfs/dbraw/zinc/86/54/96/330865496.db2.gz OCLQWPAQPFNZBK-UHFFFAOYSA-N 1 2 292.314 0.704 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCOCC1 ZINC000447657038 330873982 /nfs/dbraw/zinc/87/39/82/330873982.db2.gz CSPCJGQOQCYIPZ-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CC(C)(C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000450256171 330968721 /nfs/dbraw/zinc/96/87/21/330968721.db2.gz OZCYNUWUBBNUJN-UHFFFAOYSA-N 1 2 270.373 0.352 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451124875 331016630 /nfs/dbraw/zinc/01/66/30/331016630.db2.gz YOYITXCZSDNBLA-GFCCVEGCSA-N 1 2 257.309 0.822 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451124875 331016631 /nfs/dbraw/zinc/01/66/31/331016631.db2.gz YOYITXCZSDNBLA-GFCCVEGCSA-N 1 2 257.309 0.822 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451124876 331016659 /nfs/dbraw/zinc/01/66/59/331016659.db2.gz YOYITXCZSDNBLA-LBPRGKRZSA-N 1 2 257.309 0.822 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451124876 331016660 /nfs/dbraw/zinc/01/66/60/331016660.db2.gz YOYITXCZSDNBLA-LBPRGKRZSA-N 1 2 257.309 0.822 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000454487548 331147347 /nfs/dbraw/zinc/14/73/47/331147347.db2.gz PBFSGTNMZMAYLQ-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000454487548 331147348 /nfs/dbraw/zinc/14/73/48/331147348.db2.gz PBFSGTNMZMAYLQ-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000454648670 331150462 /nfs/dbraw/zinc/15/04/62/331150462.db2.gz KLMDQFVNYPVUSE-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000454648670 331150463 /nfs/dbraw/zinc/15/04/63/331150463.db2.gz KLMDQFVNYPVUSE-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCNC(=O)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195308458 331167920 /nfs/dbraw/zinc/16/79/20/331167920.db2.gz OXYMONPQNURTIQ-BETUJISGSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCNC(=O)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195308458 331167921 /nfs/dbraw/zinc/16/79/21/331167921.db2.gz OXYMONPQNURTIQ-BETUJISGSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000457377235 331220323 /nfs/dbraw/zinc/22/03/23/331220323.db2.gz CSTPHSHERIBNLG-GFCCVEGCSA-N 1 2 266.345 0.900 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](CCOC)CC1 ZINC000489063618 332039946 /nfs/dbraw/zinc/03/99/46/332039946.db2.gz AMQJNFOUQLYMGC-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO C#CCN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000490618037 332096275 /nfs/dbraw/zinc/09/62/75/332096275.db2.gz UHLCRVURGNLRQV-CYBMUJFWSA-N 1 2 263.385 0.685 20 30 CCEDLO C#CC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000490618037 332096276 /nfs/dbraw/zinc/09/62/76/332096276.db2.gz UHLCRVURGNLRQV-CYBMUJFWSA-N 1 2 263.385 0.685 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000490676398 332102468 /nfs/dbraw/zinc/10/24/68/332102468.db2.gz HPPDJLJOQTXWHS-JYJNAYRXSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000490676398 332102469 /nfs/dbraw/zinc/10/24/69/332102469.db2.gz HPPDJLJOQTXWHS-JYJNAYRXSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CCC#N)CCC#N ZINC000490830470 332118279 /nfs/dbraw/zinc/11/82/79/332118279.db2.gz LLFUSQYSTGKGFI-UHFFFAOYSA-N 1 2 270.336 0.601 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N(CCC#N)CCC#N ZINC000490830470 332118280 /nfs/dbraw/zinc/11/82/80/332118280.db2.gz LLFUSQYSTGKGFI-UHFFFAOYSA-N 1 2 270.336 0.601 20 30 CCEDLO C#CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000490852040 332120691 /nfs/dbraw/zinc/12/06/91/332120691.db2.gz KJZQRBWRLIUTQT-UHFFFAOYSA-N 1 2 280.397 0.828 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000491048668 332143417 /nfs/dbraw/zinc/14/34/17/332143417.db2.gz YKORXZXNUFHRAP-GXTWGEPZSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000491048668 332143418 /nfs/dbraw/zinc/14/34/18/332143418.db2.gz YKORXZXNUFHRAP-GXTWGEPZSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000491072389 332146835 /nfs/dbraw/zinc/14/68/35/332146835.db2.gz RWOZLVZNZMFTBF-UHFFFAOYSA-N 1 2 289.354 0.693 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000491285622 332180800 /nfs/dbraw/zinc/18/08/00/332180800.db2.gz DKYXJUVVFGOMBB-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000491285622 332180804 /nfs/dbraw/zinc/18/08/04/332180804.db2.gz DKYXJUVVFGOMBB-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1CC1 ZINC000491514302 332226777 /nfs/dbraw/zinc/22/67/77/332226777.db2.gz HKCZPWPOJAIZMI-UHFFFAOYSA-N 1 2 299.378 0.223 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1CC1 ZINC000491514302 332226778 /nfs/dbraw/zinc/22/67/78/332226778.db2.gz HKCZPWPOJAIZMI-UHFFFAOYSA-N 1 2 299.378 0.223 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701312 332295804 /nfs/dbraw/zinc/29/58/04/332295804.db2.gz FWZNAEASYRIJTK-RYUDHWBXSA-N 1 2 265.309 0.556 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701312 332295805 /nfs/dbraw/zinc/29/58/05/332295805.db2.gz FWZNAEASYRIJTK-RYUDHWBXSA-N 1 2 265.309 0.556 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@H](C)C(F)(F)C2)CC1 ZINC000491710607 332302331 /nfs/dbraw/zinc/30/23/31/332302331.db2.gz UQMABJURXCKMAF-ZDUSSCGKSA-N 1 2 299.365 0.741 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491730811 332312718 /nfs/dbraw/zinc/31/27/18/332312718.db2.gz LHZPHCWPYPLVDI-AWEZNQCLSA-N 1 2 298.346 0.920 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491786940 332349577 /nfs/dbraw/zinc/34/95/77/332349577.db2.gz XAHUCUGGEZWVPE-NXEZZACHSA-N 1 2 279.340 0.458 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000491786940 332349579 /nfs/dbraw/zinc/34/95/79/332349579.db2.gz XAHUCUGGEZWVPE-NXEZZACHSA-N 1 2 279.340 0.458 20 30 CCEDLO N#CC1(F)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000505765766 332751873 /nfs/dbraw/zinc/75/18/73/332751873.db2.gz HXCBMRXLNKBLFI-UHFFFAOYSA-N 1 2 265.292 0.920 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178433902 333072815 /nfs/dbraw/zinc/07/28/15/333072815.db2.gz UWOWZJJDLVYAPN-LJQANCHMSA-N 1 2 279.365 0.496 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178433902 333072817 /nfs/dbraw/zinc/07/28/17/333072817.db2.gz UWOWZJJDLVYAPN-LJQANCHMSA-N 1 2 279.365 0.496 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000516930366 333086713 /nfs/dbraw/zinc/08/67/13/333086713.db2.gz MLNOSURAFWOOSB-YWPYICTPSA-N 1 2 295.383 0.926 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCCO1 ZINC000195147769 333246653 /nfs/dbraw/zinc/24/66/53/333246653.db2.gz MKEWNYOMAWZBBT-AWEZNQCLSA-N 1 2 295.383 0.630 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000125721421 333570381 /nfs/dbraw/zinc/57/03/81/333570381.db2.gz FEDLAHPYKCBILM-UHFFFAOYSA-N 1 2 251.330 0.375 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC(C)C1 ZINC000125742568 333571516 /nfs/dbraw/zinc/57/15/16/333571516.db2.gz OVBWFDGQECYZEA-LXVYMNJGSA-N 1 2 265.357 0.763 20 30 CCEDLO CC#CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135465617 334130910 /nfs/dbraw/zinc/13/09/10/334130910.db2.gz JSBWYEHTRDHDAR-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC[C@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000549484795 334195121 /nfs/dbraw/zinc/19/51/21/334195121.db2.gz ISTBJCRYXAKQMM-LLVKDONJSA-N 1 2 268.361 0.251 20 30 CCEDLO CCC[C@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000549484795 334195122 /nfs/dbraw/zinc/19/51/22/334195122.db2.gz ISTBJCRYXAKQMM-LLVKDONJSA-N 1 2 268.361 0.251 20 30 CCEDLO CCn1cc(C#N)c(=O)n(CCCc2c[nH+]cn2C)c1=O ZINC000581440987 336078709 /nfs/dbraw/zinc/07/87/09/336078709.db2.gz YGRNVNYDTWZPQP-UHFFFAOYSA-N 1 2 287.323 0.268 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCCC#N ZINC000344983244 534272670 /nfs/dbraw/zinc/27/26/70/534272670.db2.gz NSFFKBVHXYMKCD-NSHDSACASA-N 1 2 270.358 0.885 20 30 CCEDLO Cc1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1C#N ZINC000418915609 534341480 /nfs/dbraw/zinc/34/14/80/534341480.db2.gz PTHQCSZUQKXWDB-BETUJISGSA-N 1 2 273.336 0.892 20 30 CCEDLO Cc1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1C#N ZINC000418915609 534341485 /nfs/dbraw/zinc/34/14/85/534341485.db2.gz PTHQCSZUQKXWDB-BETUJISGSA-N 1 2 273.336 0.892 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000329509582 534557295 /nfs/dbraw/zinc/55/72/95/534557295.db2.gz JRRUKADZFMQPFR-UHFFFAOYSA-N 1 2 266.326 0.332 20 30 CCEDLO N#CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000333091532 534583348 /nfs/dbraw/zinc/58/33/48/534583348.db2.gz ZOCAPIVOMTZRFZ-UHFFFAOYSA-N 1 2 292.383 0.796 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000182464558 524087382 /nfs/dbraw/zinc/08/73/82/524087382.db2.gz AURXIZRGWIHOSR-ZDUSSCGKSA-N 1 2 259.309 0.505 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000182464558 524087386 /nfs/dbraw/zinc/08/73/86/524087386.db2.gz AURXIZRGWIHOSR-ZDUSSCGKSA-N 1 2 259.309 0.505 20 30 CCEDLO C=CCOCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000347861155 526691523 /nfs/dbraw/zinc/69/15/23/526691523.db2.gz KUHKPBLIWMUOJP-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCOCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347283957 526702921 /nfs/dbraw/zinc/70/29/21/526702921.db2.gz ZSIUAVHWIVWQPC-UHFFFAOYSA-N 1 2 254.330 0.170 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000666431511 545122656 /nfs/dbraw/zinc/12/26/56/545122656.db2.gz UGFOIIKWDCPTMM-OAHLLOKOSA-N 1 2 293.367 0.873 20 30 CCEDLO C=CC[C@@H](CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000353123053 527052933 /nfs/dbraw/zinc/05/29/33/527052933.db2.gz BRHJZRRKBZPBDI-CYBMUJFWSA-N 1 2 290.429 0.983 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340153261 527433206 /nfs/dbraw/zinc/43/32/06/527433206.db2.gz VQIXXOWUDUWKAV-UHFFFAOYSA-N 1 2 297.318 0.224 20 30 CCEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000347394349 527960781 /nfs/dbraw/zinc/96/07/81/527960781.db2.gz YGSSLODYRDZKFX-LBPRGKRZSA-N 1 2 253.346 0.715 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC000425202035 528094769 /nfs/dbraw/zinc/09/47/69/528094769.db2.gz CCAMHWXYRRQMSB-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CC(C)[C@@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000351952685 528601724 /nfs/dbraw/zinc/60/17/24/528601724.db2.gz WQEZVNCBGATYPD-CYBMUJFWSA-N 1 2 283.372 0.078 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347386550 528693103 /nfs/dbraw/zinc/69/31/03/528693103.db2.gz YRVAKHIZICSCJK-TZMCWYRMSA-N 1 2 285.363 0.791 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347386550 528693108 /nfs/dbraw/zinc/69/31/08/528693108.db2.gz YRVAKHIZICSCJK-TZMCWYRMSA-N 1 2 285.363 0.791 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352584802 529349037 /nfs/dbraw/zinc/34/90/37/529349037.db2.gz WHCVJQJHPMYJSN-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352584802 529349040 /nfs/dbraw/zinc/34/90/40/529349040.db2.gz WHCVJQJHPMYJSN-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000677047074 545357234 /nfs/dbraw/zinc/35/72/34/545357234.db2.gz QZQDILSBBKIZIK-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000678084596 545384190 /nfs/dbraw/zinc/38/41/90/545384190.db2.gz VUIUOJFCTZJFNN-UHFFFAOYSA-N 1 2 259.353 0.849 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000368989760 536308464 /nfs/dbraw/zinc/30/84/64/536308464.db2.gz KTAPYHSSAWWJOT-ZDUSSCGKSA-N 1 2 296.396 0.410 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000368989760 536308466 /nfs/dbraw/zinc/30/84/66/536308466.db2.gz KTAPYHSSAWWJOT-ZDUSSCGKSA-N 1 2 296.396 0.410 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961736140 649880931 /nfs/dbraw/zinc/88/09/31/649880931.db2.gz INMXPGFJFSTSHI-DCQANWLSSA-N 1 2 285.351 0.400 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000725828687 581143172 /nfs/dbraw/zinc/14/31/72/581143172.db2.gz LBBQKHWFGANELE-UHFFFAOYSA-N 1 2 258.387 0.613 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCCOC(C)C ZINC000778552983 581159900 /nfs/dbraw/zinc/15/99/00/581159900.db2.gz YGZCMURDUXJNIH-UHFFFAOYSA-N 1 2 253.306 0.416 20 30 CCEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000491729960 581174131 /nfs/dbraw/zinc/17/41/31/581174131.db2.gz GPUKTOXLRHRPJR-UHFFFAOYSA-N 1 2 267.292 0.900 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)N1 ZINC000779791751 581205108 /nfs/dbraw/zinc/20/51/08/581205108.db2.gz LEPPUCNAPGKEEY-ZCFIWIBFSA-N 1 2 288.267 0.188 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC000780690578 581240120 /nfs/dbraw/zinc/24/01/20/581240120.db2.gz KVZAGFBBZJKWRM-UHFFFAOYSA-N 1 2 260.341 0.223 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000780986796 581254694 /nfs/dbraw/zinc/25/46/94/581254694.db2.gz QDLQESVFWZTGIG-SWLSCSKDSA-N 1 2 296.330 0.988 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000780986796 581254696 /nfs/dbraw/zinc/25/46/96/581254696.db2.gz QDLQESVFWZTGIG-SWLSCSKDSA-N 1 2 296.330 0.988 20 30 CCEDLO C#CCN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000793494506 581301314 /nfs/dbraw/zinc/30/13/14/581301314.db2.gz YQSAMBLQCRFTBR-UHFFFAOYSA-N 1 2 260.341 0.130 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000793520966 581302086 /nfs/dbraw/zinc/30/20/86/581302086.db2.gz MWTBSKZRPADAIT-AWEZNQCLSA-N 1 2 282.303 0.831 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000782590479 581310617 /nfs/dbraw/zinc/31/06/17/581310617.db2.gz DNDPVVMEISPBQE-SMDDNHRTSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000782590479 581310619 /nfs/dbraw/zinc/31/06/19/581310619.db2.gz DNDPVVMEISPBQE-SMDDNHRTSA-N 1 2 273.336 0.754 20 30 CCEDLO O=C1CN(N=Cc2cc(-n3cc[nH+]c3)cs2)C(=O)N1 ZINC000783816363 581364647 /nfs/dbraw/zinc/36/46/47/581364647.db2.gz OEYJDQGEBSEXAJ-UHFFFAOYSA-N 1 2 275.293 0.820 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000784328815 581380479 /nfs/dbraw/zinc/38/04/79/581380479.db2.gz RNUQBICMTRXWDZ-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000784328815 581380480 /nfs/dbraw/zinc/38/04/80/581380480.db2.gz RNUQBICMTRXWDZ-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO Cc1ncc(CO)c(/C=[NH+]/CCC2(O)CCOCC2)c1O ZINC000794676113 581383397 /nfs/dbraw/zinc/38/33/97/581383397.db2.gz JQGLMEGGMYPSFY-CXUHLZMHSA-N 1 2 294.351 0.938 20 30 CCEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000784849574 581395904 /nfs/dbraw/zinc/39/59/04/581395904.db2.gz HZCGROSXSDVTIY-VIFPVBQESA-N 1 2 284.319 0.958 20 30 CCEDLO C=CCNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795134116 581399260 /nfs/dbraw/zinc/39/92/60/581399260.db2.gz YRUNJEAVIDGCCS-NEPJUHHUSA-N 1 2 269.414 0.842 20 30 CCEDLO C=CCC[N@@H+](C)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000786102675 581430445 /nfs/dbraw/zinc/43/04/45/581430445.db2.gz RDLMCKUNXNJPCB-UHFFFAOYSA-N 1 2 281.312 0.922 20 30 CCEDLO C=CCC[N@H+](C)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000786102675 581430447 /nfs/dbraw/zinc/43/04/47/581430447.db2.gz RDLMCKUNXNJPCB-UHFFFAOYSA-N 1 2 281.312 0.922 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000786233941 581434927 /nfs/dbraw/zinc/43/49/27/581434927.db2.gz YHUWJYXYNASZKN-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000786233941 581434930 /nfs/dbraw/zinc/43/49/30/581434930.db2.gz YHUWJYXYNASZKN-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@]2(CCCOC2)O1 ZINC000796609992 581446124 /nfs/dbraw/zinc/44/61/24/581446124.db2.gz DBROLZAOVFVCHT-JSGCOSHPSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)C[C@]2(CCCOC2)O1 ZINC000796609992 581446125 /nfs/dbraw/zinc/44/61/25/581446125.db2.gz DBROLZAOVFVCHT-JSGCOSHPSA-N 1 2 281.356 0.286 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000786982757 581455291 /nfs/dbraw/zinc/45/52/91/581455291.db2.gz WQUDAWXWJMJMRR-CHWSQXEVSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000786982757 581455293 /nfs/dbraw/zinc/45/52/93/581455293.db2.gz WQUDAWXWJMJMRR-CHWSQXEVSA-N 1 2 288.413 0.117 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)[C@@H]1C ZINC000787245785 581462536 /nfs/dbraw/zinc/46/25/36/581462536.db2.gz PBMYCWBTFNBPRT-VXGBXAGGSA-N 1 2 289.335 0.869 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)[C@@H]1C ZINC000787245785 581462537 /nfs/dbraw/zinc/46/25/37/581462537.db2.gz PBMYCWBTFNBPRT-VXGBXAGGSA-N 1 2 289.335 0.869 20 30 CCEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714924 581475936 /nfs/dbraw/zinc/47/59/36/581475936.db2.gz RDFTXSRNUQWGBY-VXGBXAGGSA-N 1 2 293.367 0.965 20 30 CCEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714924 581475937 /nfs/dbraw/zinc/47/59/37/581475937.db2.gz RDFTXSRNUQWGBY-VXGBXAGGSA-N 1 2 293.367 0.965 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ncc(C)s2)CC1 ZINC000765491656 581519856 /nfs/dbraw/zinc/51/98/56/581519856.db2.gz NKULPTQREILJRL-UHFFFAOYSA-N 1 2 263.366 0.771 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752092966 581538547 /nfs/dbraw/zinc/53/85/47/581538547.db2.gz NGILEDSKJJFRFN-KGLIPLIRSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752092966 581538550 /nfs/dbraw/zinc/53/85/50/581538550.db2.gz NGILEDSKJJFRFN-KGLIPLIRSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000753384187 581538710 /nfs/dbraw/zinc/53/87/10/581538710.db2.gz VXDCQXSEDMJBBI-ZDUSSCGKSA-N 1 2 276.340 0.879 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766256651 581559791 /nfs/dbraw/zinc/55/97/91/581559791.db2.gz LWKLMZGEIGYAKT-GFCCVEGCSA-N 1 2 287.367 0.611 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766256651 581559794 /nfs/dbraw/zinc/55/97/94/581559794.db2.gz LWKLMZGEIGYAKT-GFCCVEGCSA-N 1 2 287.367 0.611 20 30 CCEDLO C[N@H+](CCn1cccn1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620702 581573593 /nfs/dbraw/zinc/57/35/93/581573593.db2.gz WDCJGRWULHDTKN-UHFFFAOYSA-N 1 2 297.362 0.995 20 30 CCEDLO C[N@@H+](CCn1cccn1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620702 581573596 /nfs/dbraw/zinc/57/35/96/581573596.db2.gz WDCJGRWULHDTKN-UHFFFAOYSA-N 1 2 297.362 0.995 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CC1(O)CCS(=O)(=O)CC1 ZINC000767404626 581611388 /nfs/dbraw/zinc/61/13/88/581611388.db2.gz GSNWLGNLZIDSIN-UHFFFAOYSA-N 1 2 288.413 0.798 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CC1(O)CCS(=O)(=O)CC1 ZINC000767404626 581611389 /nfs/dbraw/zinc/61/13/89/581611389.db2.gz GSNWLGNLZIDSIN-UHFFFAOYSA-N 1 2 288.413 0.798 20 30 CCEDLO S=C(NCC[NH+]1CCOCC1)NN=CC1CC1 ZINC000755498995 581642472 /nfs/dbraw/zinc/64/24/72/581642472.db2.gz MZDMKSFAQLHONB-UHFFFAOYSA-N 1 2 256.375 0.179 20 30 CCEDLO CCC(COC)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000735971049 581678645 /nfs/dbraw/zinc/67/86/45/581678645.db2.gz VOMYLYOPBMHEFG-UHFFFAOYSA-N 1 2 288.417 0.195 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168052 581698005 /nfs/dbraw/zinc/69/80/05/581698005.db2.gz PMYBKGHFHRWZOL-UHFFFAOYSA-N 1 2 273.292 0.702 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168052 581698007 /nfs/dbraw/zinc/69/80/07/581698007.db2.gz PMYBKGHFHRWZOL-UHFFFAOYSA-N 1 2 273.292 0.702 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC(Cn3ccnn3)CC2)c1=O ZINC000758242300 581731241 /nfs/dbraw/zinc/73/12/41/581731241.db2.gz MIIAZIJZSBPNDM-UHFFFAOYSA-N 1 2 298.350 0.681 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)C1 ZINC000758246776 581732007 /nfs/dbraw/zinc/73/20/07/581732007.db2.gz AGRZNRNMGBTKDH-ISZSMJSXSA-N 1 2 297.424 0.449 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741146649 581733396 /nfs/dbraw/zinc/73/33/96/581733396.db2.gz OMOBGAACUJYXIE-MNOVXSKESA-N 1 2 254.330 0.705 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741146649 581733399 /nfs/dbraw/zinc/73/33/99/581733399.db2.gz OMOBGAACUJYXIE-MNOVXSKESA-N 1 2 254.330 0.705 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)NCC ZINC000732074787 581800801 /nfs/dbraw/zinc/80/08/01/581800801.db2.gz UZECIOWXNRENBJ-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)NCC ZINC000732074787 581800802 /nfs/dbraw/zinc/80/08/02/581800802.db2.gz UZECIOWXNRENBJ-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000743168407 581803887 /nfs/dbraw/zinc/80/38/87/581803887.db2.gz GFZJDQFSKSPSIA-UHFFFAOYSA-N 1 2 291.355 0.360 20 30 CCEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2nnnn2C)c1 ZINC000771522018 581806214 /nfs/dbraw/zinc/80/62/14/581806214.db2.gz XAGOAXMGZRCQIZ-NTEUORMPSA-N 1 2 275.312 0.976 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H]1CO ZINC000744390669 581840816 /nfs/dbraw/zinc/84/08/16/581840816.db2.gz IAJJIDGWBVFXRJ-GFCCVEGCSA-N 1 2 298.346 0.877 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1CO ZINC000744390669 581840820 /nfs/dbraw/zinc/84/08/20/581840820.db2.gz IAJJIDGWBVFXRJ-GFCCVEGCSA-N 1 2 298.346 0.877 20 30 CCEDLO COCC[N@H+](CCC#N)Cc1ccc(OCC(N)=O)cc1 ZINC000744405567 581841382 /nfs/dbraw/zinc/84/13/82/581841382.db2.gz RSBNNDZRWAVPSJ-UHFFFAOYSA-N 1 2 291.351 0.913 20 30 CCEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCC(N)=O)cc1 ZINC000744405567 581841384 /nfs/dbraw/zinc/84/13/84/581841384.db2.gz RSBNNDZRWAVPSJ-UHFFFAOYSA-N 1 2 291.351 0.913 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000745079973 581864303 /nfs/dbraw/zinc/86/43/03/581864303.db2.gz OFAMNYOORODYRW-IUODEOHRSA-N 1 2 293.367 0.822 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000745079973 581864305 /nfs/dbraw/zinc/86/43/05/581864305.db2.gz OFAMNYOORODYRW-IUODEOHRSA-N 1 2 293.367 0.822 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000761247003 581899394 /nfs/dbraw/zinc/89/93/94/581899394.db2.gz OBNBKJLCGWSNPN-RYUDHWBXSA-N 1 2 281.356 0.546 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000761884059 581924720 /nfs/dbraw/zinc/92/47/20/581924720.db2.gz DKERGFAISTVINX-UHFFFAOYSA-N 1 2 274.324 0.057 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000747828467 581954296 /nfs/dbraw/zinc/95/42/96/581954296.db2.gz TUKORZWHEGFQOU-UHFFFAOYSA-N 1 2 265.700 0.726 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000737984131 582012566 /nfs/dbraw/zinc/01/25/66/582012566.db2.gz GZABZEMEXQEIRM-INIZCTEOSA-N 1 2 298.386 0.730 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000737984131 582012568 /nfs/dbraw/zinc/01/25/68/582012568.db2.gz GZABZEMEXQEIRM-INIZCTEOSA-N 1 2 298.386 0.730 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000775550113 582028986 /nfs/dbraw/zinc/02/89/86/582028986.db2.gz XUANWBRGLOQIGM-CYBMUJFWSA-N 1 2 294.376 0.111 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCCO1 ZINC000775790241 582038199 /nfs/dbraw/zinc/03/81/99/582038199.db2.gz HILAGYDGWHYLBR-RYUDHWBXSA-N 1 2 272.308 0.293 20 30 CCEDLO C#C[C@H]([NH2+]CC(=O)Nc1nncs1)[C@@H]1CCCO1 ZINC000775806470 582040852 /nfs/dbraw/zinc/04/08/52/582040852.db2.gz LPAMVZKWUMZKBV-IUCAKERBSA-N 1 2 266.326 0.247 20 30 CCEDLO C#CCOCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800189078 612981353 /nfs/dbraw/zinc/98/13/53/612981353.db2.gz DQLUKRQFXNOYQH-GFCCVEGCSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800189078 612981354 /nfs/dbraw/zinc/98/13/54/612981354.db2.gz DQLUKRQFXNOYQH-GFCCVEGCSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000851911090 612984522 /nfs/dbraw/zinc/98/45/22/612984522.db2.gz URPFIRKCGOTZIU-NWDGAFQWSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000851911090 612984524 /nfs/dbraw/zinc/98/45/24/612984524.db2.gz URPFIRKCGOTZIU-NWDGAFQWSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(C)on1 ZINC000852753071 612988985 /nfs/dbraw/zinc/98/89/85/612988985.db2.gz VVJGRTIJIALYIG-UHFFFAOYSA-N 1 2 265.313 0.893 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cc(C)on1 ZINC000852753071 612988987 /nfs/dbraw/zinc/98/89/87/612988987.db2.gz VVJGRTIJIALYIG-UHFFFAOYSA-N 1 2 265.313 0.893 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C[C@@]2(CCCOC2)C1=O ZINC000902318125 612989447 /nfs/dbraw/zinc/98/94/47/612989447.db2.gz NFOCJIGABKWENJ-OAHLLOKOSA-N 1 2 280.368 0.555 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C[C@@]2(CCCOC2)C1=O ZINC000902318125 612989448 /nfs/dbraw/zinc/98/94/48/612989448.db2.gz NFOCJIGABKWENJ-OAHLLOKOSA-N 1 2 280.368 0.555 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874708314 612996115 /nfs/dbraw/zinc/99/61/15/612996115.db2.gz MBILYRBGJWZXNW-STQMWFEESA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874708314 612996116 /nfs/dbraw/zinc/99/61/16/612996116.db2.gz MBILYRBGJWZXNW-STQMWFEESA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCSCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000897877743 613009527 /nfs/dbraw/zinc/00/95/27/613009527.db2.gz ZHLCVHFLWOKMLD-CYBMUJFWSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300891 612950259 /nfs/dbraw/zinc/95/02/59/612950259.db2.gz JFTYWPSOTBGUPZ-GXSJLCMTSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300891 612950260 /nfs/dbraw/zinc/95/02/60/612950260.db2.gz JFTYWPSOTBGUPZ-GXSJLCMTSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000846256632 613040086 /nfs/dbraw/zinc/04/00/86/613040086.db2.gz IJJWTYODYJWIQB-WDEREUQCSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000917224010 613067808 /nfs/dbraw/zinc/06/78/08/613067808.db2.gz PLKDNNPOSDRLIR-CQSZACIVSA-N 1 2 280.416 0.676 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000854072304 613083234 /nfs/dbraw/zinc/08/32/34/613083234.db2.gz BVBSLPGYLGFHDB-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000971674016 613093131 /nfs/dbraw/zinc/09/31/31/613093131.db2.gz MNOWFGBMULVKIK-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000971674016 613093132 /nfs/dbraw/zinc/09/31/32/613093132.db2.gz MNOWFGBMULVKIK-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981314277 612958439 /nfs/dbraw/zinc/95/84/39/612958439.db2.gz HVSKRHQXXAPXEB-NXEZZACHSA-N 1 2 264.304 0.813 20 30 CCEDLO CC(C)CN(CC(C)C)C(=O)CO[NH+]=C(N)CCO ZINC000121334011 614077567 /nfs/dbraw/zinc/07/75/67/614077567.db2.gz FGLMDXKYVCUJAJ-UHFFFAOYSA-N 1 2 273.377 0.798 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000895385448 612952643 /nfs/dbraw/zinc/95/26/43/612952643.db2.gz CERWVWKAAWWFSN-UHFFFAOYSA-N 1 2 260.341 0.963 20 30 CCEDLO C#CCCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906829678 612982662 /nfs/dbraw/zinc/98/26/62/612982662.db2.gz JGJPAAKJDQUWSH-UHFFFAOYSA-N 1 2 289.379 0.964 20 30 CCEDLO C#CCOCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934270488 612983161 /nfs/dbraw/zinc/98/31/61/612983161.db2.gz RZXXAKFJJSZVOF-NSHDSACASA-N 1 2 277.324 0.978 20 30 CCEDLO C#CCOCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934270488 612983162 /nfs/dbraw/zinc/98/31/62/612983162.db2.gz RZXXAKFJJSZVOF-NSHDSACASA-N 1 2 277.324 0.978 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880342192 612989860 /nfs/dbraw/zinc/98/98/60/612989860.db2.gz NMJUYAPCTYAWHZ-LBPRGKRZSA-N 1 2 255.314 0.194 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000951760895 612992263 /nfs/dbraw/zinc/99/22/63/612992263.db2.gz MWZUAGMJLDLDSX-UHFFFAOYSA-N 1 2 288.351 0.283 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000896798303 613010266 /nfs/dbraw/zinc/01/02/66/613010266.db2.gz PASXODXJWPRUHS-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000798405209 613062212 /nfs/dbraw/zinc/06/22/12/613062212.db2.gz CRRNISJLVHDSFI-RDBSUJKOSA-N 1 2 297.399 0.169 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000875194850 613063203 /nfs/dbraw/zinc/06/32/03/613063203.db2.gz MZOOFTIIDGRIFY-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000875194850 613063204 /nfs/dbraw/zinc/06/32/04/613063204.db2.gz MZOOFTIIDGRIFY-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858154305 613064488 /nfs/dbraw/zinc/06/44/88/613064488.db2.gz CSUUKTVDDLBJST-VXGBXAGGSA-N 1 2 264.329 0.609 20 30 CCEDLO C#CC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)OC ZINC000837938432 613068258 /nfs/dbraw/zinc/06/82/58/613068258.db2.gz GFBOXJDQEUWYNW-ZDUSSCGKSA-N 1 2 299.330 0.866 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925296384 613075359 /nfs/dbraw/zinc/07/53/59/613075359.db2.gz WVJBNZVVVCAEJC-LLVKDONJSA-N 1 2 279.340 0.041 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925296384 613075361 /nfs/dbraw/zinc/07/53/61/613075361.db2.gz WVJBNZVVVCAEJC-LLVKDONJSA-N 1 2 279.340 0.041 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC000847027558 613106397 /nfs/dbraw/zinc/10/63/97/613106397.db2.gz UOZGYZDXSCDXTR-SNVBAGLBSA-N 1 2 262.313 0.203 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC000847027558 613106398 /nfs/dbraw/zinc/10/63/98/613106398.db2.gz UOZGYZDXSCDXTR-SNVBAGLBSA-N 1 2 262.313 0.203 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H](C)C3)CC2)C1 ZINC000941593542 613115694 /nfs/dbraw/zinc/11/56/94/613115694.db2.gz QYLKAIQDKWBBKU-GJZGRUSLSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3oncc3C)CC2)C1 ZINC000941627296 613116376 /nfs/dbraw/zinc/11/63/76/613116376.db2.gz CJZJEJMEFZLKLC-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852274578 613122804 /nfs/dbraw/zinc/12/28/04/613122804.db2.gz FAIMESXEUHNZDQ-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC000970162196 613124989 /nfs/dbraw/zinc/12/49/89/613124989.db2.gz OCSKKUYRRWVYPT-JTQLQIEISA-N 1 2 289.335 0.067 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)ccc2=O)C1 ZINC000970126780 613127246 /nfs/dbraw/zinc/12/72/46/613127246.db2.gz HPRLJUOFTRVRLU-NSHDSACASA-N 1 2 273.336 0.069 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000928653751 613135984 /nfs/dbraw/zinc/13/59/84/613135984.db2.gz ZBVBCHBXUZZRRH-GFCCVEGCSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cscn2)CC1 ZINC000921436941 613138503 /nfs/dbraw/zinc/13/85/03/613138503.db2.gz ICYGMWDCPZPOLN-UHFFFAOYSA-N 1 2 285.394 0.519 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000969013952 613147424 /nfs/dbraw/zinc/14/74/24/613147424.db2.gz LFBHQQPLMPBBCU-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000969013952 613147427 /nfs/dbraw/zinc/14/74/27/613147427.db2.gz LFBHQQPLMPBBCU-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO C#C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C(C)C ZINC000882154770 613151627 /nfs/dbraw/zinc/15/16/27/613151627.db2.gz YSHDZXYQHXEHSR-NSHDSACASA-N 1 2 255.343 0.460 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000848494010 613158737 /nfs/dbraw/zinc/15/87/37/613158737.db2.gz SFOLBBIXTAFTDI-NSHDSACASA-N 1 2 277.324 0.488 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000848494010 613158739 /nfs/dbraw/zinc/15/87/39/613158739.db2.gz SFOLBBIXTAFTDI-NSHDSACASA-N 1 2 277.324 0.488 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000848493683 613159038 /nfs/dbraw/zinc/15/90/38/613159038.db2.gz PHZJTBIBRDFCNR-SMDDNHRTSA-N 1 2 279.340 0.246 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000848493683 613159040 /nfs/dbraw/zinc/15/90/40/613159040.db2.gz PHZJTBIBRDFCNR-SMDDNHRTSA-N 1 2 279.340 0.246 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909923642 613160100 /nfs/dbraw/zinc/16/01/00/613160100.db2.gz OUFYIOZZZVETLX-ZVHGMHCTSA-N 1 2 278.352 0.126 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000923559947 613188985 /nfs/dbraw/zinc/18/89/85/613188985.db2.gz WDEHAVVOWFEQCF-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC000923559947 613188987 /nfs/dbraw/zinc/18/89/87/613188987.db2.gz WDEHAVVOWFEQCF-NWDGAFQWSA-N 1 2 287.367 0.438 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)cc1 ZINC000967678893 613191420 /nfs/dbraw/zinc/19/14/20/613191420.db2.gz QBPUGFTUQQMGQE-WFASDCNBSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)cc1 ZINC000967678893 613191421 /nfs/dbraw/zinc/19/14/21/613191421.db2.gz QBPUGFTUQQMGQE-WFASDCNBSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2noc(COC)n2)C1 ZINC000902729312 613192215 /nfs/dbraw/zinc/19/22/15/613192215.db2.gz GZAYEGJILHDIOY-JTQLQIEISA-N 1 2 278.312 0.043 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2noc(COC)n2)C1 ZINC000902729312 613192216 /nfs/dbraw/zinc/19/22/16/613192216.db2.gz GZAYEGJILHDIOY-JTQLQIEISA-N 1 2 278.312 0.043 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000862458378 613192997 /nfs/dbraw/zinc/19/29/97/613192997.db2.gz DSZDXBNEZZGDQT-HNNXBMFYSA-N 1 2 287.363 0.798 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000862458378 613192999 /nfs/dbraw/zinc/19/29/99/613192999.db2.gz DSZDXBNEZZGDQT-HNNXBMFYSA-N 1 2 287.363 0.798 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000971703389 613197238 /nfs/dbraw/zinc/19/72/38/613197238.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000971703389 613197239 /nfs/dbraw/zinc/19/72/39/613197239.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000855580775 613197492 /nfs/dbraw/zinc/19/74/92/613197492.db2.gz ZZPWVGBRYLXVEE-UPJWGTAASA-N 1 2 262.353 0.768 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000855580775 613197493 /nfs/dbraw/zinc/19/74/93/613197493.db2.gz ZZPWVGBRYLXVEE-UPJWGTAASA-N 1 2 262.353 0.768 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(C)cn1 ZINC000910657923 613200829 /nfs/dbraw/zinc/20/08/29/613200829.db2.gz QYOCGMPCVMTGLQ-LBPRGKRZSA-N 1 2 258.325 0.499 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(C)cn1 ZINC000910657923 613200831 /nfs/dbraw/zinc/20/08/31/613200831.db2.gz QYOCGMPCVMTGLQ-LBPRGKRZSA-N 1 2 258.325 0.499 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC)C1=O ZINC000928868833 613201594 /nfs/dbraw/zinc/20/15/94/613201594.db2.gz UDPBMNJRMFDANN-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC)C1=O ZINC000928868833 613201595 /nfs/dbraw/zinc/20/15/95/613201595.db2.gz UDPBMNJRMFDANN-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CSC[C@@H]1C ZINC000804505051 613202452 /nfs/dbraw/zinc/20/24/52/613202452.db2.gz XFLPJWOPGRYYEQ-SRVKXCTJSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CSC[C@@H]1C ZINC000804505051 613202455 /nfs/dbraw/zinc/20/24/55/613202455.db2.gz XFLPJWOPGRYYEQ-SRVKXCTJSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902040391 613209400 /nfs/dbraw/zinc/20/94/00/613209400.db2.gz CRQFGZQATOBICI-CABCVRRESA-N 1 2 291.395 0.222 20 30 CCEDLO C#Cc1cnc(N[C@@H](CC)C[NH+]2CCOCC2)nc1 ZINC000895800868 613210616 /nfs/dbraw/zinc/21/06/16/613210616.db2.gz ICYDFWUMAGRCSL-ZDUSSCGKSA-N 1 2 260.341 0.981 20 30 CCEDLO C#Cc1cnc(NCC[N@H+]2CCOCC2(C)C)nc1 ZINC000827556862 613210745 /nfs/dbraw/zinc/21/07/45/613210745.db2.gz DZBHTLJSTLYTFB-UHFFFAOYSA-N 1 2 260.341 0.981 20 30 CCEDLO C#Cc1cnc(NCC[N@@H+]2CCOCC2(C)C)nc1 ZINC000827556862 613210746 /nfs/dbraw/zinc/21/07/46/613210746.db2.gz DZBHTLJSTLYTFB-UHFFFAOYSA-N 1 2 260.341 0.981 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203348 613211004 /nfs/dbraw/zinc/21/10/04/613211004.db2.gz DQDPPPSXFZAJOS-LBPRGKRZSA-N 1 2 258.268 0.188 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203348 613211005 /nfs/dbraw/zinc/21/10/05/613211005.db2.gz DQDPPPSXFZAJOS-LBPRGKRZSA-N 1 2 258.268 0.188 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648910 613211117 /nfs/dbraw/zinc/21/11/17/613211117.db2.gz DFMWKJPQRVGOPU-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648910 613211119 /nfs/dbraw/zinc/21/11/19/613211119.db2.gz DFMWKJPQRVGOPU-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](C[C@@H](C)O)C2)c1 ZINC000951719044 613211606 /nfs/dbraw/zinc/21/16/06/613211606.db2.gz GGCBJYMDIQRPDM-GFCCVEGCSA-N 1 2 287.363 0.590 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501502 613212289 /nfs/dbraw/zinc/21/22/89/613212289.db2.gz DQOUGOJCFXAOQD-UMVBOHGHSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501502 613212291 /nfs/dbraw/zinc/21/22/91/613212291.db2.gz DQOUGOJCFXAOQD-UMVBOHGHSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296784 613212330 /nfs/dbraw/zinc/21/23/30/613212330.db2.gz DBLYABBWSXLACX-GXTWGEPZSA-N 1 2 261.325 0.083 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296784 613212331 /nfs/dbraw/zinc/21/23/31/613212331.db2.gz DBLYABBWSXLACX-GXTWGEPZSA-N 1 2 261.325 0.083 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609375 613212339 /nfs/dbraw/zinc/21/23/39/613212339.db2.gz QTTOEORWVJPCLI-MRXNPFEDSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609375 613212340 /nfs/dbraw/zinc/21/23/40/613212340.db2.gz QTTOEORWVJPCLI-MRXNPFEDSA-N 1 2 288.347 0.759 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)c1 ZINC000874706650 613216817 /nfs/dbraw/zinc/21/68/17/613216817.db2.gz VCNQJRZGBCHBPP-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)c1 ZINC000874706650 613216818 /nfs/dbraw/zinc/21/68/18/613216818.db2.gz VCNQJRZGBCHBPP-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C/N=C1/NC(=O)/C(=C\c2c[nH+]c(N(C)C)n2C)S1 ZINC000901539806 613220864 /nfs/dbraw/zinc/22/08/64/613220864.db2.gz IYTDIPZBRIZMSL-VMPITWQZSA-N 1 2 265.342 0.676 20 30 CCEDLO C/C(=C/C(=O)N1CCOC[C@@H]1C#N)C[NH+]1CCOCC1 ZINC000900848483 613231019 /nfs/dbraw/zinc/23/10/19/613231019.db2.gz UDDIOCXRUMLFTE-FSBNRTBOSA-N 1 2 279.340 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977594567 613280459 /nfs/dbraw/zinc/28/04/59/613280459.db2.gz KMBYEQVXZSEAHW-CYBMUJFWSA-N 1 2 263.385 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977594567 613280460 /nfs/dbraw/zinc/28/04/60/613280460.db2.gz KMBYEQVXZSEAHW-CYBMUJFWSA-N 1 2 263.385 0.542 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000950700997 613295129 /nfs/dbraw/zinc/29/51/29/613295129.db2.gz DCZINXYUMNWRRX-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951190800 613295141 /nfs/dbraw/zinc/29/51/41/613295141.db2.gz OIGSFSYZQKKKRK-WDNDVIMCSA-N 1 2 264.369 0.988 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 ZINC000951129959 613295647 /nfs/dbraw/zinc/29/56/47/613295647.db2.gz GDSKYCHMZKOWNS-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000007347202 613329458 /nfs/dbraw/zinc/32/94/58/613329458.db2.gz UAEDWLOGRQAVDS-UHFFFAOYSA-N 1 2 275.327 0.697 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133948 613330547 /nfs/dbraw/zinc/33/05/47/613330547.db2.gz SLVUOTTXHPBQGO-NSHDSACASA-N 1 2 266.732 0.533 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133948 613330549 /nfs/dbraw/zinc/33/05/49/613330549.db2.gz SLVUOTTXHPBQGO-NSHDSACASA-N 1 2 266.732 0.533 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488833 613330674 /nfs/dbraw/zinc/33/06/74/613330674.db2.gz HQWURTFAMAHXRI-ZDUSSCGKSA-N 1 2 284.363 0.615 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488833 613330676 /nfs/dbraw/zinc/33/06/76/613330676.db2.gz HQWURTFAMAHXRI-ZDUSSCGKSA-N 1 2 284.363 0.615 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298291 613357034 /nfs/dbraw/zinc/35/70/34/613357034.db2.gz HDFMLZOIMYYXKF-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298291 613357035 /nfs/dbraw/zinc/35/70/35/613357035.db2.gz HDFMLZOIMYYXKF-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882896975 613357977 /nfs/dbraw/zinc/35/79/77/613357977.db2.gz XBOLETLGJCUWJA-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912611323 613361584 /nfs/dbraw/zinc/36/15/84/613361584.db2.gz BZPGYGXORMHPMZ-GVXVVHGQSA-N 1 2 279.340 0.551 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969582437 613372327 /nfs/dbraw/zinc/37/23/27/613372327.db2.gz CZATXWBBGCRUHM-VIFPVBQESA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000851872752 613372595 /nfs/dbraw/zinc/37/25/95/613372595.db2.gz LHPUTZACXQUUBK-UHFFFAOYSA-N 1 2 252.767 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC000966130330 613377948 /nfs/dbraw/zinc/37/79/48/613377948.db2.gz GMCYAPGDRFNZSZ-GXSJLCMTSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC000966130330 613377949 /nfs/dbraw/zinc/37/79/49/613377949.db2.gz GMCYAPGDRFNZSZ-GXSJLCMTSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)no2)[C@H](O)C1 ZINC000957859421 613380444 /nfs/dbraw/zinc/38/04/44/613380444.db2.gz PAIMUSMFCVCCQN-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)no2)[C@H](O)C1 ZINC000957859421 613380445 /nfs/dbraw/zinc/38/04/45/613380445.db2.gz PAIMUSMFCVCCQN-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2oncc2C)C1 ZINC000958559341 613381428 /nfs/dbraw/zinc/38/14/28/613381428.db2.gz NUHOMBPHYPSFLP-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2oncc2C)C1 ZINC000958559341 613381429 /nfs/dbraw/zinc/38/14/29/613381429.db2.gz NUHOMBPHYPSFLP-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=CCSCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865041166 613394849 /nfs/dbraw/zinc/39/48/49/613394849.db2.gz MWSVVALHINMSGH-ARJAWSKDSA-N 1 2 270.398 0.910 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000878151223 613398886 /nfs/dbraw/zinc/39/88/86/613398886.db2.gz VPUTWUUIEPXVIY-LBPRGKRZSA-N 1 2 277.324 0.256 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000878151223 613398888 /nfs/dbraw/zinc/39/88/88/613398888.db2.gz VPUTWUUIEPXVIY-LBPRGKRZSA-N 1 2 277.324 0.256 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907360613 613402813 /nfs/dbraw/zinc/40/28/13/613402813.db2.gz DALZRUYZPSTKPM-SUIFULHWSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)C(=O)OC ZINC000905752002 613405522 /nfs/dbraw/zinc/40/55/22/613405522.db2.gz WGXJKLKDFQNZKD-LLVKDONJSA-N 1 2 292.401 0.365 20 30 CCEDLO C=CC[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)C(=O)OC ZINC000901698822 613419075 /nfs/dbraw/zinc/41/90/75/613419075.db2.gz CIOSVYHAPRJXDJ-JTQLQIEISA-N 1 2 281.312 0.046 20 30 CCEDLO C=CC(C)(C)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000877303983 613446985 /nfs/dbraw/zinc/44/69/85/613446985.db2.gz QKPQDIHGVQNWLB-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CCOCC1 ZINC000913540937 613455854 /nfs/dbraw/zinc/45/58/54/613455854.db2.gz AYFCAWMWYLRLBS-ZDUSSCGKSA-N 1 2 282.384 0.494 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CCOCC1 ZINC000913540937 613455858 /nfs/dbraw/zinc/45/58/58/613455858.db2.gz AYFCAWMWYLRLBS-ZDUSSCGKSA-N 1 2 282.384 0.494 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000924627063 613475385 /nfs/dbraw/zinc/47/53/85/613475385.db2.gz CMAJHQOFFKJRDE-CHWSQXEVSA-N 1 2 294.399 0.509 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000924627063 613475389 /nfs/dbraw/zinc/47/53/89/613475389.db2.gz CMAJHQOFFKJRDE-CHWSQXEVSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874712359 613478359 /nfs/dbraw/zinc/47/83/59/613478359.db2.gz XLUMKYNAEPMBHD-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874712359 613478363 /nfs/dbraw/zinc/47/83/63/613478363.db2.gz XLUMKYNAEPMBHD-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585677 613482608 /nfs/dbraw/zinc/48/26/08/613482608.db2.gz SNPKADZUWXQFJG-NWDGAFQWSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585677 613482610 /nfs/dbraw/zinc/48/26/10/613482610.db2.gz SNPKADZUWXQFJG-NWDGAFQWSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102514 613482637 /nfs/dbraw/zinc/48/26/37/613482637.db2.gz FDRPDXPMNOWXSX-GMTAPVOTSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102514 613482638 /nfs/dbraw/zinc/48/26/38/613482638.db2.gz FDRPDXPMNOWXSX-GMTAPVOTSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000845635495 613486737 /nfs/dbraw/zinc/48/67/37/613486737.db2.gz HBAOASDXFNACBC-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000845635495 613486738 /nfs/dbraw/zinc/48/67/38/613486738.db2.gz HBAOASDXFNACBC-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928647616 613508396 /nfs/dbraw/zinc/50/83/96/613508396.db2.gz QRGVJFCHNVXINX-YPMHNXCESA-N 1 2 256.346 0.150 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC000948703620 613562500 /nfs/dbraw/zinc/56/25/00/613562500.db2.gz SRLIBWLDQKOUPS-GJZGRUSLSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC000957607551 613564185 /nfs/dbraw/zinc/56/41/85/613564185.db2.gz JCFGWDZHFCTAGV-UHFFFAOYSA-N 1 2 273.336 0.016 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506034 613571170 /nfs/dbraw/zinc/57/11/70/613571170.db2.gz IBVGXIOGPURQQZ-DZKIICNBSA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506034 613571173 /nfs/dbraw/zinc/57/11/73/613571173.db2.gz IBVGXIOGPURQQZ-DZKIICNBSA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972301466 613572045 /nfs/dbraw/zinc/57/20/45/613572045.db2.gz NVDHQMYCAIHRFX-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972301466 613572047 /nfs/dbraw/zinc/57/20/47/613572047.db2.gz NVDHQMYCAIHRFX-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913467633 613578019 /nfs/dbraw/zinc/57/80/19/613578019.db2.gz HAIYHSDHNDPTLE-GXTWGEPZSA-N 1 2 292.383 0.874 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056961 613579484 /nfs/dbraw/zinc/57/94/84/613579484.db2.gz LDQUZFFWVWRZBR-CYBMUJFWSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056961 613579485 /nfs/dbraw/zinc/57/94/85/613579485.db2.gz LDQUZFFWVWRZBR-CYBMUJFWSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933224740 613646498 /nfs/dbraw/zinc/64/64/98/613646498.db2.gz GZQQXFNMZBKKKN-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1CC ZINC000933224740 613646499 /nfs/dbraw/zinc/64/64/99/613646499.db2.gz GZQQXFNMZBKKKN-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC000957104432 613654465 /nfs/dbraw/zinc/65/44/65/613654465.db2.gz ZMCJLLSWVGHRDO-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000951763865 613655553 /nfs/dbraw/zinc/65/55/53/613655553.db2.gz NXIVXULAENESLK-NEPJUHHUSA-N 1 2 279.384 0.607 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC000950346728 613655981 /nfs/dbraw/zinc/65/59/81/613655981.db2.gz MCHLPPBXFSOHHM-DGCLKSJQSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]ncc2F)C1 ZINC000970376722 613667585 /nfs/dbraw/zinc/66/75/85/613667585.db2.gz MGHZLXPMRBJTPK-MRVPVSSYSA-N 1 2 252.293 0.785 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCC)C2)CC1 ZINC000950935234 613712715 /nfs/dbraw/zinc/71/27/15/613712715.db2.gz CIBOQUADSBORTN-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)CC1 ZINC000949862709 613713360 /nfs/dbraw/zinc/71/33/60/613713360.db2.gz KYAKDMDZMOKAOM-ZDUSSCGKSA-N 1 2 288.395 0.855 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972242267 613726052 /nfs/dbraw/zinc/72/60/52/613726052.db2.gz LREKDNIGQGILAC-DZGCQCFKSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972242267 613726053 /nfs/dbraw/zinc/72/60/53/613726053.db2.gz LREKDNIGQGILAC-DZGCQCFKSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H]3COCC[C@@H]32)C1=O ZINC000933965832 613739500 /nfs/dbraw/zinc/73/95/00/613739500.db2.gz HVTNZRBFIDQULY-YNEHKIRRSA-N 1 2 266.341 0.263 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H]3COCC[C@@H]32)C1=O ZINC000933965832 613739504 /nfs/dbraw/zinc/73/95/04/613739504.db2.gz HVTNZRBFIDQULY-YNEHKIRRSA-N 1 2 266.341 0.263 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC000805470668 613764522 /nfs/dbraw/zinc/76/45/22/613764522.db2.gz SOTLTAZJBHCWOS-NEPJUHHUSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC000805470668 613764525 /nfs/dbraw/zinc/76/45/25/613764525.db2.gz SOTLTAZJBHCWOS-NEPJUHHUSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]ncc3F)[C@@H]2C1 ZINC000978677730 613836864 /nfs/dbraw/zinc/83/68/64/613836864.db2.gz MMXWXDPVSIRQJT-OWUUHHOZSA-N 1 2 264.304 0.642 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]ncc3F)[C@@H]2C1 ZINC000978677730 613836865 /nfs/dbraw/zinc/83/68/65/613836865.db2.gz MMXWXDPVSIRQJT-OWUUHHOZSA-N 1 2 264.304 0.642 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932438744 613845408 /nfs/dbraw/zinc/84/54/08/613845408.db2.gz LWCKYDQFSLRSCU-LLVKDONJSA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932438744 613845409 /nfs/dbraw/zinc/84/54/09/613845409.db2.gz LWCKYDQFSLRSCU-LLVKDONJSA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933665766 613845808 /nfs/dbraw/zinc/84/58/08/613845808.db2.gz ICTSEMDTSIJGJB-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933665766 613845809 /nfs/dbraw/zinc/84/58/09/613845809.db2.gz ICTSEMDTSIJGJB-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002254 613851620 /nfs/dbraw/zinc/85/16/20/613851620.db2.gz ZDQQHALTULOPFT-VHSXEESVSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002254 613851621 /nfs/dbraw/zinc/85/16/21/613851621.db2.gz ZDQQHALTULOPFT-VHSXEESVSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845442635 613854774 /nfs/dbraw/zinc/85/47/74/613854774.db2.gz OBDFGRQLDDGBIW-GHMZBOCLSA-N 1 2 260.297 0.845 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCc1nccs1 ZINC000884325235 613877484 /nfs/dbraw/zinc/87/74/84/613877484.db2.gz MEBFIOXMZQFNBE-JTQLQIEISA-N 1 2 297.380 0.591 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C=C)CC1 ZINC000884134727 613877521 /nfs/dbraw/zinc/87/75/21/613877521.db2.gz PXPVHFBIXDSCCU-LBPRGKRZSA-N 1 2 266.341 0.858 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000884170787 613877623 /nfs/dbraw/zinc/87/76/23/613877623.db2.gz GBYPFNPDHIYDDZ-AGIUHOORSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CCC)C1 ZINC000884313728 613877837 /nfs/dbraw/zinc/87/78/37/613877837.db2.gz NIWLZAAYJPWTKC-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)SC ZINC000884142633 613878180 /nfs/dbraw/zinc/87/81/80/613878180.db2.gz GLYOFEXORZBMMR-VIFPVBQESA-N 1 2 274.386 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccs1 ZINC000884050661 613878382 /nfs/dbraw/zinc/87/83/82/613878382.db2.gz HTNIGZCBAXUVDY-JTQLQIEISA-N 1 2 268.338 0.811 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSC1 ZINC000884142962 613878492 /nfs/dbraw/zinc/87/84/92/613878492.db2.gz RBESACTZYGNGMN-BDAKNGLRSA-N 1 2 258.343 0.055 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000884145662 613878704 /nfs/dbraw/zinc/87/87/04/613878704.db2.gz PJNQOYRBJAWFKZ-YRRQLQLVSA-N 1 2 296.367 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000884431009 613878985 /nfs/dbraw/zinc/87/89/85/613878985.db2.gz IHYMXPWADJEPSU-PKFCDNJMSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921870713 613880950 /nfs/dbraw/zinc/88/09/50/613880950.db2.gz URSWHSBTMURSNW-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOC[C@@H](NCc1c(C)cc[nH+]c1N)C(=O)OC ZINC000894642288 613881964 /nfs/dbraw/zinc/88/19/64/613881964.db2.gz LMTLCDNRFZDYGW-GFCCVEGCSA-N 1 2 279.340 0.806 20 30 CCEDLO C=CCONC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000838710683 613883556 /nfs/dbraw/zinc/88/35/56/613883556.db2.gz BLSJYAPKZMNKAA-UHFFFAOYSA-N 1 2 277.328 0.734 20 30 CCEDLO CC(C)OC(=O)C1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000886721548 613985593 /nfs/dbraw/zinc/98/55/93/613985593.db2.gz BTMPOLVGSUGJMU-UHFFFAOYSA-N 1 2 281.356 0.680 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865091101 614187316 /nfs/dbraw/zinc/18/73/16/614187316.db2.gz RRYPOWHXSPUAPR-QWHCGFSZSA-N 1 2 291.355 0.135 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000914397943 614287921 /nfs/dbraw/zinc/28/79/21/614287921.db2.gz RAOKFVDKLBRDHD-SNVBAGLBSA-N 1 2 282.369 0.667 20 30 CCEDLO CCNC(NCc1nnc([C@H]2CCCO2)[nH]1)=[NH+]CC ZINC000849215220 614420612 /nfs/dbraw/zinc/42/06/12/614420612.db2.gz WABWNIDNCOVYGH-SECBINFHSA-N 1 2 266.349 0.731 20 30 CCEDLO CC1(C)C[C@@]1(C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868464588 614771971 /nfs/dbraw/zinc/77/19/71/614771971.db2.gz VXMXZFFJRNCYQX-XGACYXMMSA-N 1 2 263.341 0.683 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC000837408787 615252111 /nfs/dbraw/zinc/25/21/11/615252111.db2.gz SEPOPMRGBKIGJU-UHFFFAOYSA-N 1 2 250.342 0.581 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000865686093 615254030 /nfs/dbraw/zinc/25/40/30/615254030.db2.gz DHNCJCSUBUFWFZ-HNNXBMFYSA-N 1 2 295.383 0.487 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886089610 615532328 /nfs/dbraw/zinc/53/23/28/615532328.db2.gz FOAZPGMJKJHKOK-LBPRGKRZSA-N 1 2 288.413 0.798 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886089610 615532330 /nfs/dbraw/zinc/53/23/30/615532330.db2.gz FOAZPGMJKJHKOK-LBPRGKRZSA-N 1 2 288.413 0.798 20 30 CCEDLO CCn1c[nH+]c2c1CCN(CC(=O)NC1(C#N)CCC1)C2 ZINC000933253458 615629077 /nfs/dbraw/zinc/62/90/77/615629077.db2.gz HBFQZAPLFDXTLG-UHFFFAOYSA-N 1 2 287.367 0.824 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#CC(C)C ZINC000928645891 615714575 /nfs/dbraw/zinc/71/45/75/615714575.db2.gz HJXBCSINSPPNBG-CYBMUJFWSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000928634353 615718569 /nfs/dbraw/zinc/71/85/69/615718569.db2.gz JGBDUOKZZIBMKL-UKRRQHHQSA-N 1 2 295.383 0.534 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000876640541 616011759 /nfs/dbraw/zinc/01/17/59/616011759.db2.gz XJVXXORSRAVKBW-UHFFFAOYSA-N 1 2 272.352 0.946 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCNC(=O)C1 ZINC000876640541 616011761 /nfs/dbraw/zinc/01/17/61/616011761.db2.gz XJVXXORSRAVKBW-UHFFFAOYSA-N 1 2 272.352 0.946 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818816 616040320 /nfs/dbraw/zinc/04/03/20/616040320.db2.gz RSQNMUDCBRHVDE-TZMCWYRMSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972733485 616041266 /nfs/dbraw/zinc/04/12/66/616041266.db2.gz RKQNQLRAOGIAFJ-NSHDSACASA-N 1 2 261.329 0.019 20 30 CCEDLO CN(CC1CCCCC1)C(=O)CO[NH+]=C(N)CCO ZINC000121423942 616066661 /nfs/dbraw/zinc/06/66/61/616066661.db2.gz WYBFQBHTWKPZKJ-UHFFFAOYSA-N 1 2 271.361 0.696 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000899895365 616067512 /nfs/dbraw/zinc/06/75/12/616067512.db2.gz RZHGJCVPEOGWLB-UPJWGTAASA-N 1 2 291.351 0.144 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000899895365 616067513 /nfs/dbraw/zinc/06/75/13/616067513.db2.gz RZHGJCVPEOGWLB-UPJWGTAASA-N 1 2 291.351 0.144 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000912749852 616223843 /nfs/dbraw/zinc/22/38/43/616223843.db2.gz LUEOJYWOYKOZCY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000912749852 616223844 /nfs/dbraw/zinc/22/38/44/616223844.db2.gz LUEOJYWOYKOZCY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCC#N)C1 ZINC000886397761 616458608 /nfs/dbraw/zinc/45/86/08/616458608.db2.gz YNEFHLCXIRHLAX-UHFFFAOYSA-N 1 2 265.338 0.476 20 30 CCEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCC#N)C1 ZINC000886397761 616458612 /nfs/dbraw/zinc/45/86/12/616458612.db2.gz YNEFHLCXIRHLAX-UHFFFAOYSA-N 1 2 265.338 0.476 20 30 CCEDLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928799887 616503325 /nfs/dbraw/zinc/50/33/25/616503325.db2.gz FZOMSZAQFCQWGZ-NQMVMOMDSA-N 1 2 279.262 0.402 20 30 CCEDLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928799887 616503330 /nfs/dbraw/zinc/50/33/30/616503330.db2.gz FZOMSZAQFCQWGZ-NQMVMOMDSA-N 1 2 279.262 0.402 20 30 CCEDLO CNC(=O)CNC(=S)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834957563 616653715 /nfs/dbraw/zinc/65/37/15/616653715.db2.gz XVRHGTMUGJVCHW-UHFFFAOYSA-N 1 2 291.380 0.129 20 30 CCEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000852568973 616765228 /nfs/dbraw/zinc/76/52/28/616765228.db2.gz WNHRFYMMQBINDW-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000852568973 616765233 /nfs/dbraw/zinc/76/52/33/616765233.db2.gz WNHRFYMMQBINDW-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO COC[C@@H](CO[NH+]=C(N)c1ccc(OC)cc1)OC ZINC000853654746 616871703 /nfs/dbraw/zinc/87/17/03/616871703.db2.gz XMRMQJKDVCEWAY-LBPRGKRZSA-N 1 2 268.313 0.994 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000879029381 617036991 /nfs/dbraw/zinc/03/69/91/617036991.db2.gz NRHVIGVTEKIDPS-TZMCWYRMSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCO[C@H](C)C#N ZINC000879029381 617036994 /nfs/dbraw/zinc/03/69/94/617036994.db2.gz NRHVIGVTEKIDPS-TZMCWYRMSA-N 1 2 284.356 0.959 20 30 CCEDLO CON=CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000809798885 617103887 /nfs/dbraw/zinc/10/38/87/617103887.db2.gz DEKDKHTWBHHFOI-JTQLQIEISA-N 1 2 250.302 0.758 20 30 CCEDLO CON=CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000809717729 617104367 /nfs/dbraw/zinc/10/43/67/617104367.db2.gz AJGLMGUXQISOCQ-QWRGUYRKSA-N 1 2 250.302 0.925 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001026430854 625447238 /nfs/dbraw/zinc/44/72/38/625447238.db2.gz BRMNAXKORSUEQI-FRRDWIJNSA-N 1 2 273.340 0.233 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770655 623437241 /nfs/dbraw/zinc/43/72/41/623437241.db2.gz WKMVUEWMIVETRQ-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001024770655 623437244 /nfs/dbraw/zinc/43/72/44/623437244.db2.gz WKMVUEWMIVETRQ-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO O=C(NCC#CCO)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000923787650 623535054 /nfs/dbraw/zinc/53/50/54/623535054.db2.gz RQPMHFQZVASGJC-UHFFFAOYSA-N 1 2 288.351 0.477 20 30 CCEDLO Cc1cc(C[N@H+]2CCN(C)[C@@H](CO)C2)ccc1C#N ZINC000931401480 625665059 /nfs/dbraw/zinc/66/50/59/625665059.db2.gz KQCLSTSAPHYINH-OAHLLOKOSA-N 1 2 259.353 0.975 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](CO)C2)ccc1C#N ZINC000931401480 625665072 /nfs/dbraw/zinc/66/50/72/625665072.db2.gz KQCLSTSAPHYINH-OAHLLOKOSA-N 1 2 259.353 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007495138 623652684 /nfs/dbraw/zinc/65/26/84/623652684.db2.gz JAIKWANAOYOSEU-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007495138 623652686 /nfs/dbraw/zinc/65/26/86/623652686.db2.gz JAIKWANAOYOSEU-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1cc(C[N@H+]2CCN(C)[C@H](CO)C2)ccc1C#N ZINC000931401478 625666199 /nfs/dbraw/zinc/66/61/99/625666199.db2.gz KQCLSTSAPHYINH-HNNXBMFYSA-N 1 2 259.353 0.975 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN(C)[C@H](CO)C2)ccc1C#N ZINC000931401478 625666201 /nfs/dbraw/zinc/66/62/01/625666201.db2.gz KQCLSTSAPHYINH-HNNXBMFYSA-N 1 2 259.353 0.975 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007707510 623858489 /nfs/dbraw/zinc/85/84/89/623858489.db2.gz SJMIKVHSSRFWOC-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO Cc1ccccc1CNC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121324694 624848118 /nfs/dbraw/zinc/84/81/18/624848118.db2.gz JCBDZYPNIXAEEZ-NSHDSACASA-N 1 2 279.340 0.671 20 30 CCEDLO Cc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000121357873 624853481 /nfs/dbraw/zinc/85/34/81/624853481.db2.gz QQCNKDLGQZJMFM-JTQLQIEISA-N 1 2 265.313 0.993 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933560933 624891940 /nfs/dbraw/zinc/89/19/40/624891940.db2.gz ZJTJWTIPWXQZRR-SNVBAGLBSA-N 1 2 256.265 0.927 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](N(C)CC#N)C2)c[nH+]1 ZINC000971777829 624907733 /nfs/dbraw/zinc/90/77/33/624907733.db2.gz HZKZBLCJVQILIO-CYBMUJFWSA-N 1 2 289.383 0.983 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027336398 625837039 /nfs/dbraw/zinc/83/70/39/625837039.db2.gz PYWNLFOPLLWYBM-YPMHNXCESA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027336398 625837042 /nfs/dbraw/zinc/83/70/42/625837042.db2.gz PYWNLFOPLLWYBM-YPMHNXCESA-N 1 2 290.371 0.398 20 30 CCEDLO N#Cc1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)cs1 ZINC000893904100 631482474 /nfs/dbraw/zinc/48/24/74/631482474.db2.gz BFCJZFAISASQBH-UHFFFAOYSA-N 1 2 285.394 0.873 20 30 CCEDLO Cc1nsc(N2CC[N@@H+](C)[C@H](CO)C2)c1C#N ZINC000894886123 631872224 /nfs/dbraw/zinc/87/22/24/631872224.db2.gz UOWSCCXZWPZYKU-VIFPVBQESA-N 1 2 252.343 0.436 20 30 CCEDLO Cc1nsc(N2CC[N@H+](C)[C@H](CO)C2)c1C#N ZINC000894886123 631872230 /nfs/dbraw/zinc/87/22/30/631872230.db2.gz UOWSCCXZWPZYKU-VIFPVBQESA-N 1 2 252.343 0.436 20 30 CCEDLO Cn1nc2c(c1C[NH+]1CCN(CCC#N)CC1)CCC2 ZINC000895845655 632162724 /nfs/dbraw/zinc/16/27/24/632162724.db2.gz QDZCVWDHQVIIDU-UHFFFAOYSA-N 1 2 273.384 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153980 650068150 /nfs/dbraw/zinc/06/81/50/650068150.db2.gz YOERBRUIVWCJMA-JTQLQIEISA-N 1 2 299.762 0.317 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153980 650068151 /nfs/dbraw/zinc/06/81/51/650068151.db2.gz YOERBRUIVWCJMA-JTQLQIEISA-N 1 2 299.762 0.317 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007566159 650084716 /nfs/dbraw/zinc/08/47/16/650084716.db2.gz CXTIWAAASSZAFI-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007566159 650084717 /nfs/dbraw/zinc/08/47/17/650084717.db2.gz CXTIWAAASSZAFI-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986209958 632729557 /nfs/dbraw/zinc/72/95/57/632729557.db2.gz FJNJAQMGTGODCD-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001007941810 650097892 /nfs/dbraw/zinc/09/78/92/650097892.db2.gz CTXBFVKUYYNEGR-LLVKDONJSA-N 1 2 289.335 0.211 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001007941810 650097894 /nfs/dbraw/zinc/09/78/94/650097894.db2.gz CTXBFVKUYYNEGR-LLVKDONJSA-N 1 2 289.335 0.211 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986600896 632778264 /nfs/dbraw/zinc/77/82/64/632778264.db2.gz JHULAWRRJYJPEZ-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008331923 650110459 /nfs/dbraw/zinc/11/04/59/650110459.db2.gz HNINPAIMGPVSGZ-JTQLQIEISA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008331923 650110460 /nfs/dbraw/zinc/11/04/60/650110460.db2.gz HNINPAIMGPVSGZ-JTQLQIEISA-N 1 2 296.758 0.717 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008402243 650113164 /nfs/dbraw/zinc/11/31/64/650113164.db2.gz ABGSDGLGHDSONC-ZDUSSCGKSA-N 1 2 279.384 0.799 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008402243 650113165 /nfs/dbraw/zinc/11/31/65/650113165.db2.gz ABGSDGLGHDSONC-ZDUSSCGKSA-N 1 2 279.384 0.799 20 30 CCEDLO N#CC1(C[C@@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)CC1 ZINC000899909186 633918741 /nfs/dbraw/zinc/91/87/41/633918741.db2.gz WNFOGIDJXYLWCI-SNVBAGLBSA-N 1 2 265.313 0.225 20 30 CCEDLO N#C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CCN1C1CC1 ZINC000900671680 634067836 /nfs/dbraw/zinc/06/78/36/634067836.db2.gz KBXUQGPLCLNIKU-ZDUSSCGKSA-N 1 2 285.351 0.692 20 30 CCEDLO CC#CCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901356370 634234598 /nfs/dbraw/zinc/23/45/98/634234598.db2.gz BNHFIBKGDHIEJN-ACCUITESSA-N 1 2 250.342 0.795 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912737164 636661458 /nfs/dbraw/zinc/66/14/58/636661458.db2.gz HNYYBRGWGZSNOS-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912737164 636661463 /nfs/dbraw/zinc/66/14/63/636661463.db2.gz HNYYBRGWGZSNOS-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)ccn1 ZINC000913452521 636809876 /nfs/dbraw/zinc/80/98/76/636809876.db2.gz HZEBHHVWLSXJAW-ZDUSSCGKSA-N 1 2 282.307 0.463 20 30 CCEDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)ncc1C#N ZINC000913452576 636810264 /nfs/dbraw/zinc/81/02/64/636810264.db2.gz CBCLLOLTHNENPG-CQSZACIVSA-N 1 2 296.334 0.772 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC000993388493 637798781 /nfs/dbraw/zinc/79/87/81/637798781.db2.gz DTVFKGNFVPMMPX-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC000993388493 637798785 /nfs/dbraw/zinc/79/87/85/637798785.db2.gz DTVFKGNFVPMMPX-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993724550 637835480 /nfs/dbraw/zinc/83/54/80/637835480.db2.gz AOAHEISFQMTGDT-NWDGAFQWSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993724550 637835483 /nfs/dbraw/zinc/83/54/83/637835483.db2.gz AOAHEISFQMTGDT-NWDGAFQWSA-N 1 2 290.367 0.732 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)[C@H]1C ZINC000994015522 637859993 /nfs/dbraw/zinc/85/99/93/637859993.db2.gz BOSCFWJKOQAEGN-GHMZBOCLSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)[C@H]1C ZINC000994015522 637859995 /nfs/dbraw/zinc/85/99/95/637859995.db2.gz BOSCFWJKOQAEGN-GHMZBOCLSA-N 1 2 263.345 0.964 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943755311 638741006 /nfs/dbraw/zinc/74/10/06/638741006.db2.gz BMLHKNKLDZLDDI-WDEREUQCSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)o1 ZINC000995580451 638779402 /nfs/dbraw/zinc/77/94/02/638779402.db2.gz KTFPARMXDAZQGT-ONGXEEELSA-N 1 2 291.355 0.864 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000186105406 638797097 /nfs/dbraw/zinc/79/70/97/638797097.db2.gz OQMFYGJOFFJSLT-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996071627 638808692 /nfs/dbraw/zinc/80/86/92/638808692.db2.gz CWVPMPICXIDUKW-LBPRGKRZSA-N 1 2 289.383 0.703 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015991465 638864621 /nfs/dbraw/zinc/86/46/21/638864621.db2.gz BLPPEMFSHVUNTN-WDEREUQCSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015991465 638864623 /nfs/dbraw/zinc/86/46/23/638864623.db2.gz BLPPEMFSHVUNTN-WDEREUQCSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015991465 638864624 /nfs/dbraw/zinc/86/46/24/638864624.db2.gz BLPPEMFSHVUNTN-WDEREUQCSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015991465 638864625 /nfs/dbraw/zinc/86/46/25/638864625.db2.gz BLPPEMFSHVUNTN-WDEREUQCSA-N 1 2 275.356 0.286 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000998745305 638938231 /nfs/dbraw/zinc/93/82/31/638938231.db2.gz GRSCFUNSDKYDFG-ZJUUUORDSA-N 1 2 279.369 0.778 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000998746318 638938591 /nfs/dbraw/zinc/93/85/91/638938591.db2.gz MTPPQNYWNOGZIW-GHMZBOCLSA-N 1 2 291.355 0.872 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC000999126566 638961205 /nfs/dbraw/zinc/96/12/05/638961205.db2.gz GSRNVMFQFPMHLY-ZDUSSCGKSA-N 1 2 288.351 0.872 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537361 638984974 /nfs/dbraw/zinc/98/49/74/638984974.db2.gz RQMXBQBRLZVLIC-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000642052 639146424 /nfs/dbraw/zinc/14/64/24/639146424.db2.gz BLEBBIRSUFOJRY-SNVBAGLBSA-N 1 2 283.763 0.680 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000827484 639176847 /nfs/dbraw/zinc/17/68/47/639176847.db2.gz ZYXMMKMGYBBLTH-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000881526 639183429 /nfs/dbraw/zinc/18/34/29/639183429.db2.gz YCDWRAUWAVHOIU-CQSZACIVSA-N 1 2 299.378 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001098575 639228400 /nfs/dbraw/zinc/22/84/00/639228400.db2.gz CYHZFTJYJYEDNH-NSHDSACASA-N 1 2 298.774 0.169 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001098575 639228410 /nfs/dbraw/zinc/22/84/10/639228410.db2.gz CYHZFTJYJYEDNH-NSHDSACASA-N 1 2 298.774 0.169 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001001367492 639291386 /nfs/dbraw/zinc/29/13/86/639291386.db2.gz YKSHQQWVDSMCFZ-ZDUSSCGKSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001001367492 639291390 /nfs/dbraw/zinc/29/13/90/639291390.db2.gz YKSHQQWVDSMCFZ-ZDUSSCGKSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001001367492 639291393 /nfs/dbraw/zinc/29/13/93/639291393.db2.gz YKSHQQWVDSMCFZ-ZDUSSCGKSA-N 1 2 299.378 0.291 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001001367492 639291397 /nfs/dbraw/zinc/29/13/97/639291397.db2.gz YKSHQQWVDSMCFZ-ZDUSSCGKSA-N 1 2 299.378 0.291 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014918437 650502846 /nfs/dbraw/zinc/50/28/46/650502846.db2.gz APCUZJMNUVPKJB-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014918437 650502851 /nfs/dbraw/zinc/50/28/51/650502851.db2.gz APCUZJMNUVPKJB-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014938295 650505965 /nfs/dbraw/zinc/50/59/65/650505965.db2.gz RQKAAJBUEIEODG-LLVKDONJSA-N 1 2 269.308 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014953740 650507814 /nfs/dbraw/zinc/50/78/14/650507814.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 1 2 251.374 0.847 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014953740 650507815 /nfs/dbraw/zinc/50/78/15/650507815.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 1 2 251.374 0.847 20 30 CCEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001004390805 639789506 /nfs/dbraw/zinc/78/95/06/639789506.db2.gz VVKGUMAROLGJFZ-LBPRGKRZSA-N 1 2 278.356 0.088 20 30 CCEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001004390805 639789512 /nfs/dbraw/zinc/78/95/12/639789512.db2.gz VVKGUMAROLGJFZ-LBPRGKRZSA-N 1 2 278.356 0.088 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H](C#N)C2)c1 ZINC000922823692 639793931 /nfs/dbraw/zinc/79/39/31/639793931.db2.gz RYTCOOSYBRIHFP-NSHDSACASA-N 1 2 261.329 0.908 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015162407 650534061 /nfs/dbraw/zinc/53/40/61/650534061.db2.gz RYEQVFGLZNOSFF-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015162407 650534064 /nfs/dbraw/zinc/53/40/64/650534064.db2.gz RYEQVFGLZNOSFF-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805753674 640432570 /nfs/dbraw/zinc/43/25/70/640432570.db2.gz IHOCYJYCSRYUHM-CYBMUJFWSA-N 1 2 274.324 0.565 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805753674 640432573 /nfs/dbraw/zinc/43/25/73/640432573.db2.gz IHOCYJYCSRYUHM-CYBMUJFWSA-N 1 2 274.324 0.565 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015552576 650580884 /nfs/dbraw/zinc/58/08/84/650580884.db2.gz QYLACRYCOOCTPG-NNYUYHANSA-N 1 2 270.760 0.822 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015552576 650580889 /nfs/dbraw/zinc/58/08/89/650580889.db2.gz QYLACRYCOOCTPG-NNYUYHANSA-N 1 2 270.760 0.822 20 30 CCEDLO Cn1cc([C@H]2CSCC[N@@H+]2C[C@H](O)CC#N)cn1 ZINC000809579478 640901350 /nfs/dbraw/zinc/90/13/50/640901350.db2.gz YHSMFOSUMFEXSC-VXGBXAGGSA-N 1 2 266.370 0.785 20 30 CCEDLO Cn1cc([C@H]2CSCC[N@H+]2C[C@H](O)CC#N)cn1 ZINC000809579478 640901354 /nfs/dbraw/zinc/90/13/54/640901354.db2.gz YHSMFOSUMFEXSC-VXGBXAGGSA-N 1 2 266.370 0.785 20 30 CCEDLO C[C@H](O)CNN=Cc1ccc(C=[NH+]NC[C@H](C)O)cc1 ZINC000814962724 641086190 /nfs/dbraw/zinc/08/61/90/641086190.db2.gz SGFGCGFOJNHIIG-RYUDHWBXSA-N 1 2 278.356 0.295 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835022 650636708 /nfs/dbraw/zinc/63/67/08/650636708.db2.gz PKNQURVGXNNKNT-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835022 650636710 /nfs/dbraw/zinc/63/67/10/650636710.db2.gz PKNQURVGXNNKNT-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(O)C2=O)c[nH+]1 ZINC000820127338 641461373 /nfs/dbraw/zinc/46/13/73/641461373.db2.gz LNEBAERMSRSNPQ-VIFPVBQESA-N 1 2 266.301 0.033 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCCc1ccc(F)cc1 ZINC000121402800 642656871 /nfs/dbraw/zinc/65/68/71/642656871.db2.gz LTPXRGWXGGPXTE-UHFFFAOYSA-N 1 2 283.303 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001017407762 650799929 /nfs/dbraw/zinc/79/99/29/650799929.db2.gz HYMNSQHQTSCFAL-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001017407762 650799932 /nfs/dbraw/zinc/79/99/32/650799932.db2.gz HYMNSQHQTSCFAL-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC ZINC001017500842 650806236 /nfs/dbraw/zinc/80/62/36/650806236.db2.gz HUAGYXAOBCRFGZ-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC ZINC001017500842 650806237 /nfs/dbraw/zinc/80/62/37/650806237.db2.gz HUAGYXAOBCRFGZ-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001017674948 650817395 /nfs/dbraw/zinc/81/73/95/650817395.db2.gz HDNGOHGNNOLOSV-SYQHCUMBSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001017674948 650817398 /nfs/dbraw/zinc/81/73/98/650817398.db2.gz HDNGOHGNNOLOSV-SYQHCUMBSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@@H](C)C1 ZINC001017674946 650817538 /nfs/dbraw/zinc/81/75/38/650817538.db2.gz HDNGOHGNNOLOSV-RFQIPJPRSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@@H](C)C1 ZINC001017674946 650817539 /nfs/dbraw/zinc/81/75/39/650817539.db2.gz HDNGOHGNNOLOSV-RFQIPJPRSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001017701249 650818614 /nfs/dbraw/zinc/81/86/14/650818614.db2.gz JEGYWOVNQOBKEZ-PHIMTYICSA-N 1 2 259.313 0.117 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001017701249 650818616 /nfs/dbraw/zinc/81/86/16/650818616.db2.gz JEGYWOVNQOBKEZ-PHIMTYICSA-N 1 2 259.313 0.117 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001017700452 650818806 /nfs/dbraw/zinc/81/88/06/650818806.db2.gz ZDFDZLFXNIGTDU-XDQVBPFNSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001017700452 650818810 /nfs/dbraw/zinc/81/88/10/650818810.db2.gz ZDFDZLFXNIGTDU-XDQVBPFNSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cnn(C)c1 ZINC001017856907 650826617 /nfs/dbraw/zinc/82/66/17/650826617.db2.gz WRDVSIXXQAUNIR-BETUJISGSA-N 1 2 288.351 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cnn(C)c1 ZINC001017856907 650826624 /nfs/dbraw/zinc/82/66/24/650826624.db2.gz WRDVSIXXQAUNIR-BETUJISGSA-N 1 2 288.351 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018026131 650840268 /nfs/dbraw/zinc/84/02/68/650840268.db2.gz LDDUZDOHGFGJFX-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018026131 650840270 /nfs/dbraw/zinc/84/02/70/650840270.db2.gz LDDUZDOHGFGJFX-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001018079136 650842495 /nfs/dbraw/zinc/84/24/95/650842495.db2.gz JRBUGESTRFHSOB-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001018079136 650842496 /nfs/dbraw/zinc/84/24/96/650842496.db2.gz JRBUGESTRFHSOB-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cc[nH]c12 ZINC001018215037 650848155 /nfs/dbraw/zinc/84/81/55/650848155.db2.gz GFTFTAWKMPSHFW-BETUJISGSA-N 1 2 297.362 0.975 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cc[nH]c12 ZINC001018215037 650848157 /nfs/dbraw/zinc/84/81/57/650848157.db2.gz GFTFTAWKMPSHFW-BETUJISGSA-N 1 2 297.362 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cnc1C ZINC001018220732 650848758 /nfs/dbraw/zinc/84/87/58/650848758.db2.gz YFYZMIBPLUOQOI-BETUJISGSA-N 1 2 272.352 0.569 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cnc1C ZINC001018220732 650848760 /nfs/dbraw/zinc/84/87/60/650848760.db2.gz YFYZMIBPLUOQOI-BETUJISGSA-N 1 2 272.352 0.569 20 30 CCEDLO C[C@@H](CC(=O)N[C@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000848129962 643597418 /nfs/dbraw/zinc/59/74/18/643597418.db2.gz CWQGDXDCEIQMLY-UWVGGRQHSA-N 1 2 266.301 0.331 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001018633101 650887107 /nfs/dbraw/zinc/88/71/07/650887107.db2.gz UCZDXOHKISNIMF-YUMQZZPRSA-N 1 2 299.281 0.857 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCC3(COC3)C2)c(=O)c1C#N ZINC000853598573 644126999 /nfs/dbraw/zinc/12/69/99/644126999.db2.gz VDYIRKZFHQOSLE-UHFFFAOYSA-N 1 2 259.309 0.708 20 30 CCEDLO Cc1ccn(C[N@H+]2CCC3(COC3)C2)c(=O)c1C#N ZINC000853598573 644127003 /nfs/dbraw/zinc/12/70/03/644127003.db2.gz VDYIRKZFHQOSLE-UHFFFAOYSA-N 1 2 259.309 0.708 20 30 CCEDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC000858035764 644590842 /nfs/dbraw/zinc/59/08/42/644590842.db2.gz BWKXLPSFQXVJAA-LBPRGKRZSA-N 1 2 274.324 0.483 20 30 CCEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)nc1 ZINC000858035764 644590846 /nfs/dbraw/zinc/59/08/46/644590846.db2.gz BWKXLPSFQXVJAA-LBPRGKRZSA-N 1 2 274.324 0.483 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(C#N)nc1 ZINC000860249882 644783214 /nfs/dbraw/zinc/78/32/14/644783214.db2.gz AOBJGKVEJHEXKE-LBPRGKRZSA-N 1 2 289.335 0.760 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020314751 651059139 /nfs/dbraw/zinc/05/91/39/651059139.db2.gz UZKWDIMHVCDRKH-SRVKXCTJSA-N 1 2 273.340 0.206 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613638 647084591 /nfs/dbraw/zinc/08/45/91/647084591.db2.gz DEBZGGHWZLAPBE-UPJWGTAASA-N 1 2 295.383 0.145 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613638 647084593 /nfs/dbraw/zinc/08/45/93/647084593.db2.gz DEBZGGHWZLAPBE-UPJWGTAASA-N 1 2 295.383 0.145 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(F)cn2)nn1 ZINC000881424320 647315024 /nfs/dbraw/zinc/31/50/24/647315024.db2.gz MFXNYZJQXZCTKB-CQSZACIVSA-N 1 2 289.314 0.659 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3nn[nH]c3C2)CCC1 ZINC000886164865 647911453 /nfs/dbraw/zinc/91/14/53/647911453.db2.gz WFIOBNIWMAQLEW-JTQLQIEISA-N 1 2 261.329 0.608 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3nn[nH]c3C2)CCC1 ZINC000886164865 647911460 /nfs/dbraw/zinc/91/14/60/647911460.db2.gz WFIOBNIWMAQLEW-JTQLQIEISA-N 1 2 261.329 0.608 20 30 CCEDLO N#CCCN(CCO[C@H]1CCOC1)CC[NH+]1CCOCC1 ZINC000929775340 648788751 /nfs/dbraw/zinc/78/87/51/648788751.db2.gz XIEDAPSEAOLTTD-HNNXBMFYSA-N 1 2 297.399 0.340 20 30 CCEDLO Cc1cn(C)nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000929774827 648789367 /nfs/dbraw/zinc/78/93/67/648789367.db2.gz RVWPHGPOVCFOOI-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO N#Cc1cncc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000930745991 648899802 /nfs/dbraw/zinc/89/98/02/648899802.db2.gz RQQUITMEZNAAHG-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154536 649054066 /nfs/dbraw/zinc/05/40/66/649054066.db2.gz KGFGNJPYRLBMPI-DOMZBBRYSA-N 1 2 273.336 0.595 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154536 649054069 /nfs/dbraw/zinc/05/40/69/649054069.db2.gz KGFGNJPYRLBMPI-DOMZBBRYSA-N 1 2 273.336 0.595 20 30 CCEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N1CCOCC1 ZINC000048706933 649325003 /nfs/dbraw/zinc/32/50/03/649325003.db2.gz CDAHWAIUZQBHRY-UHFFFAOYSA-N 1 2 277.324 0.377 20 30 CCEDLO N#CCN1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179531 649790372 /nfs/dbraw/zinc/79/03/72/649790372.db2.gz OHLMNGZHPJBOJK-FZMZJTMJSA-N 1 2 299.334 0.109 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccn1 ZINC001017375500 649808461 /nfs/dbraw/zinc/80/84/61/649808461.db2.gz NVQLXABWMSILNB-MCIONIFRSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccn1 ZINC001017375500 649808462 /nfs/dbraw/zinc/80/84/62/649808462.db2.gz NVQLXABWMSILNB-MCIONIFRSA-N 1 2 272.352 0.753 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526761 805610613 /nfs/dbraw/zinc/61/06/13/805610613.db2.gz HAJGJMXOBDDYFE-CMPLNLGQSA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526761 805610618 /nfs/dbraw/zinc/61/06/18/805610618.db2.gz HAJGJMXOBDDYFE-CMPLNLGQSA-N 1 2 253.346 0.230 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230596446 805631606 /nfs/dbraw/zinc/63/16/06/805631606.db2.gz WREVTVDHHFYIEG-JSGCOSHPSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230596446 805631611 /nfs/dbraw/zinc/63/16/11/805631611.db2.gz WREVTVDHHFYIEG-JSGCOSHPSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258086 790342287 /nfs/dbraw/zinc/34/22/87/790342287.db2.gz FIVDZXJVSSCMFS-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258086 790342299 /nfs/dbraw/zinc/34/22/99/790342299.db2.gz FIVDZXJVSSCMFS-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO CCCCC(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001266279169 790387527 /nfs/dbraw/zinc/38/75/27/790387527.db2.gz GMMMVGVMMFKKRJ-UHFFFAOYSA-N 1 2 295.427 0.560 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1CC ZINC001039019550 790386499 /nfs/dbraw/zinc/38/64/99/790386499.db2.gz UUPAYNCVWARXJQ-LBPRGKRZSA-N 1 2 272.352 0.866 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1CC ZINC001039019550 790386514 /nfs/dbraw/zinc/38/65/14/790386514.db2.gz UUPAYNCVWARXJQ-LBPRGKRZSA-N 1 2 272.352 0.866 20 30 CCEDLO CCCCC(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001266279169 790387512 /nfs/dbraw/zinc/38/75/12/790387512.db2.gz GMMMVGVMMFKKRJ-UHFFFAOYSA-N 1 2 295.427 0.560 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)CC)CC1 ZINC001266279434 790387772 /nfs/dbraw/zinc/38/77/72/790387772.db2.gz PWZFQUQINDLNPG-CQSZACIVSA-N 1 2 265.401 0.790 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)/C(C)=C/C)CC1 ZINC001266281254 790390995 /nfs/dbraw/zinc/39/09/95/790390995.db2.gz JUFKEAPMYDLNSO-LHHJGKSTSA-N 1 2 263.385 0.710 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H](C)CSC)CC1 ZINC001266281275 790392381 /nfs/dbraw/zinc/39/23/81/790392381.db2.gz KQNLHAQAUDERLX-AWEZNQCLSA-N 1 2 297.468 0.743 20 30 CCEDLO CSC[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266281087 790392774 /nfs/dbraw/zinc/39/27/74/790392774.db2.gz FFKGWSYWSUNHMK-LBPRGKRZSA-N 1 2 284.429 0.243 20 30 CCEDLO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319451 790496741 /nfs/dbraw/zinc/49/67/41/790496741.db2.gz MEMBPUOAHOZXSH-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319451 790496748 /nfs/dbraw/zinc/49/67/48/790496748.db2.gz MEMBPUOAHOZXSH-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319865 790500133 /nfs/dbraw/zinc/50/01/33/790500133.db2.gz UAHJVJBHQPDURE-ZDUSSCGKSA-N 1 2 287.367 0.402 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319865 790500141 /nfs/dbraw/zinc/50/01/41/790500141.db2.gz UAHJVJBHQPDURE-ZDUSSCGKSA-N 1 2 287.367 0.402 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001266333269 790526683 /nfs/dbraw/zinc/52/66/83/790526683.db2.gz JYAZCOOTWXEBDV-UWVGGRQHSA-N 1 2 253.346 0.263 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266333269 790526692 /nfs/dbraw/zinc/52/66/92/790526692.db2.gz JYAZCOOTWXEBDV-UWVGGRQHSA-N 1 2 253.346 0.263 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266511273 790831280 /nfs/dbraw/zinc/83/12/80/790831280.db2.gz LESLFSXPLOCIAP-GFCCVEGCSA-N 1 2 276.340 0.667 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266511273 790831291 /nfs/dbraw/zinc/83/12/91/790831291.db2.gz LESLFSXPLOCIAP-GFCCVEGCSA-N 1 2 276.340 0.667 20 30 CCEDLO C=CCC(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001167363213 790971206 /nfs/dbraw/zinc/97/12/06/790971206.db2.gz QPLZAFZDEYOKNO-UHFFFAOYSA-N 1 2 280.376 0.408 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)C#CC3CC3)C2)no1 ZINC001266591477 790995492 /nfs/dbraw/zinc/99/54/92/790995492.db2.gz MMJIHUJVILHYBH-HAQNSBGRSA-N 1 2 288.351 0.782 20 30 CCEDLO CN(CC[NH2+]Cc1csnn1)C(=O)CSCC#N ZINC001266644507 791075961 /nfs/dbraw/zinc/07/59/61/791075961.db2.gz KLQNNOJNDSPLRJ-UHFFFAOYSA-N 1 2 285.398 0.343 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111488852 791081067 /nfs/dbraw/zinc/08/10/67/791081067.db2.gz XSIHYNSKWWFIQH-LOWDOPEQSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111488852 791081074 /nfs/dbraw/zinc/08/10/74/791081074.db2.gz XSIHYNSKWWFIQH-LOWDOPEQSA-N 1 2 295.383 0.045 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230676443 805644660 /nfs/dbraw/zinc/64/46/60/805644660.db2.gz PYBKJNRQLQPARI-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230676443 805644666 /nfs/dbraw/zinc/64/46/66/805644666.db2.gz PYBKJNRQLQPARI-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231209535 805750751 /nfs/dbraw/zinc/75/07/51/805750751.db2.gz WJMLNSZNCFYGRP-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231209535 805750761 /nfs/dbraw/zinc/75/07/61/805750761.db2.gz WJMLNSZNCFYGRP-QWHCGFSZSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001231240441 805757632 /nfs/dbraw/zinc/75/76/32/805757632.db2.gz KGTUVGSNDALASL-QWHCGFSZSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001231240441 805757639 /nfs/dbraw/zinc/75/76/39/805757639.db2.gz KGTUVGSNDALASL-QWHCGFSZSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 ZINC001277714769 805980176 /nfs/dbraw/zinc/98/01/76/805980176.db2.gz NVHDGSJZAQZFNZ-CYBMUJFWSA-N 1 2 281.400 0.866 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232926922 805998803 /nfs/dbraw/zinc/99/88/03/805998803.db2.gz IPYHWMLASRWKCX-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001232926922 805998812 /nfs/dbraw/zinc/99/88/12/805998812.db2.gz IPYHWMLASRWKCX-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncn3)[C@H]2C1 ZINC001083227530 791340739 /nfs/dbraw/zinc/34/07/39/791340739.db2.gz JEKHMGINVONTEC-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncn3)[C@H]2C1 ZINC001083227530 791340745 /nfs/dbraw/zinc/34/07/45/791340745.db2.gz JEKHMGINVONTEC-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500216 806070488 /nfs/dbraw/zinc/07/04/88/806070488.db2.gz IDKOPRHBZQEUEM-AFNCTOJWSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500216 806070496 /nfs/dbraw/zinc/07/04/96/806070496.db2.gz IDKOPRHBZQEUEM-AFNCTOJWSA-N 1 2 291.395 0.788 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233633424 806100168 /nfs/dbraw/zinc/10/01/68/806100168.db2.gz APJPELYNEWYPDF-AWEZNQCLSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233633424 806100173 /nfs/dbraw/zinc/10/01/73/806100173.db2.gz APJPELYNEWYPDF-AWEZNQCLSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233967313 806158980 /nfs/dbraw/zinc/15/89/80/806158980.db2.gz YNDWKWXBHMGHOF-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233967313 806158983 /nfs/dbraw/zinc/15/89/83/806158983.db2.gz YNDWKWXBHMGHOF-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001234172084 806195865 /nfs/dbraw/zinc/19/58/65/806195865.db2.gz VGWJMDKHNRHIBV-KGLIPLIRSA-N 1 2 293.411 0.655 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001234172084 806195867 /nfs/dbraw/zinc/19/58/67/806195867.db2.gz VGWJMDKHNRHIBV-KGLIPLIRSA-N 1 2 293.411 0.655 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186972 806197802 /nfs/dbraw/zinc/19/78/02/806197802.db2.gz QWYQIVSXYVXGIJ-YPMHNXCESA-N 1 2 277.368 0.067 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186972 806197805 /nfs/dbraw/zinc/19/78/05/806197805.db2.gz QWYQIVSXYVXGIJ-YPMHNXCESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234331750 806224341 /nfs/dbraw/zinc/22/43/41/806224341.db2.gz CEEDSKGHTMKAMD-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234331750 806224348 /nfs/dbraw/zinc/22/43/48/806224348.db2.gz CEEDSKGHTMKAMD-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234445130 806246764 /nfs/dbraw/zinc/24/67/64/806246764.db2.gz KEOHADLIBKPLKN-ZDUSSCGKSA-N 1 2 290.367 0.463 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234445130 806246769 /nfs/dbraw/zinc/24/67/69/806246769.db2.gz KEOHADLIBKPLKN-ZDUSSCGKSA-N 1 2 290.367 0.463 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)C(N)=O)CCC1 ZINC001235210752 806387701 /nfs/dbraw/zinc/38/77/01/806387701.db2.gz WHKWWZHJNMRONH-CHWSQXEVSA-N 1 2 291.395 0.587 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)C(N)=O)CCC1 ZINC001235210752 806387710 /nfs/dbraw/zinc/38/77/10/806387710.db2.gz WHKWWZHJNMRONH-CHWSQXEVSA-N 1 2 291.395 0.587 20 30 CCEDLO COCCOCN1CCC12C[NH+](CCCC#N)C2 ZINC001277942983 806418365 /nfs/dbraw/zinc/41/83/65/806418365.db2.gz ILAYVZRKRTWJGQ-UHFFFAOYSA-N 1 2 253.346 0.671 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccccc2OCCO)CC1 ZINC001237202309 806646840 /nfs/dbraw/zinc/64/68/40/806646840.db2.gz HOTYKYNDABFVNO-UHFFFAOYSA-N 1 2 274.364 0.809 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001237446973 806668390 /nfs/dbraw/zinc/66/83/90/806668390.db2.gz XFCBKINSCQMOQD-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO C=C(C)CCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001120767895 798932352 /nfs/dbraw/zinc/93/23/52/798932352.db2.gz PATPVMMSOKKPEP-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001121279699 799025925 /nfs/dbraw/zinc/02/59/25/799025925.db2.gz XAXDVYQITHRJJE-RISCZKNCSA-N 1 2 279.388 0.739 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001121279699 799025932 /nfs/dbraw/zinc/02/59/32/799025932.db2.gz XAXDVYQITHRJJE-RISCZKNCSA-N 1 2 279.388 0.739 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122371394 799215436 /nfs/dbraw/zinc/21/54/36/799215436.db2.gz AUOAECWKXSNCMS-ZDUSSCGKSA-N 1 2 290.367 0.868 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCSC[C@@H]1C#N ZINC001123783521 799473598 /nfs/dbraw/zinc/47/35/98/799473598.db2.gz RCRHOMXUNOAPTG-JTQLQIEISA-N 1 2 264.354 0.820 20 30 CCEDLO N#CCSCC(=O)NCC[NH2+]Cc1nncs1 ZINC001123799711 799477329 /nfs/dbraw/zinc/47/73/29/799477329.db2.gz ZSYGHEGJEPKMNC-UHFFFAOYSA-N 1 2 271.371 0.001 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001125247431 799670067 /nfs/dbraw/zinc/67/00/67/799670067.db2.gz BEAHOYQLWQFMTE-UHFFFAOYSA-N 1 2 282.344 0.567 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001278256588 806793758 /nfs/dbraw/zinc/79/37/58/806793758.db2.gz IQZLDUOWWZGZSP-NWDGAFQWSA-N 1 2 287.385 0.025 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001278256588 806793762 /nfs/dbraw/zinc/79/37/62/806793762.db2.gz IQZLDUOWWZGZSP-NWDGAFQWSA-N 1 2 287.385 0.025 20 30 CCEDLO N#Cc1c(N)nn(C(=O)c2cccc3[nH+]ccn32)c1N ZINC001154520349 800793111 /nfs/dbraw/zinc/79/31/11/800793111.db2.gz LFIZQBVRQWMRPU-UHFFFAOYSA-N 1 2 267.252 0.255 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc(Cl)nc2C#N)C1 ZINC001155193007 800927142 /nfs/dbraw/zinc/92/71/42/800927142.db2.gz CGPUWRHMFOLKND-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc(Cl)nc2C#N)C1 ZINC001155193007 800927147 /nfs/dbraw/zinc/92/71/47/800927147.db2.gz CGPUWRHMFOLKND-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659878 801115569 /nfs/dbraw/zinc/11/55/69/801115569.db2.gz SOGQZVFQQWCOOQ-IQJOONFLSA-N 1 2 293.396 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659878 801115570 /nfs/dbraw/zinc/11/55/70/801115570.db2.gz SOGQZVFQQWCOOQ-IQJOONFLSA-N 1 2 293.396 0.943 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001156332699 801152275 /nfs/dbraw/zinc/15/22/75/801152275.db2.gz MEJQXHMHOGBEQU-VIFPVBQESA-N 1 2 288.685 0.820 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncccc1C#N ZINC001157770588 801477377 /nfs/dbraw/zinc/47/73/77/801477377.db2.gz NBQQUFCNZKOXJK-LLVKDONJSA-N 1 2 260.297 0.247 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncccc1C#N ZINC001157770588 801477378 /nfs/dbraw/zinc/47/73/78/801477378.db2.gz NBQQUFCNZKOXJK-LLVKDONJSA-N 1 2 260.297 0.247 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncnc(Cl)c1C#N ZINC001157770835 801478431 /nfs/dbraw/zinc/47/84/31/801478431.db2.gz SKFZYTFDPCESSU-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncnc(Cl)c1C#N ZINC001157770835 801478435 /nfs/dbraw/zinc/47/84/35/801478435.db2.gz SKFZYTFDPCESSU-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N[C@H](CO)C(N)=O)c2c1 ZINC001158445180 801653118 /nfs/dbraw/zinc/65/31/18/801653118.db2.gz YJRPFKOWSRGQKQ-LLVKDONJSA-N 1 2 256.265 0.365 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1 ZINC001159587202 801835471 /nfs/dbraw/zinc/83/54/71/801835471.db2.gz KQLHDQXRUPNWHP-LLVKDONJSA-N 1 2 289.339 0.868 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC001159587202 801835480 /nfs/dbraw/zinc/83/54/80/801835480.db2.gz KQLHDQXRUPNWHP-LLVKDONJSA-N 1 2 289.339 0.868 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300089 802122694 /nfs/dbraw/zinc/12/26/94/802122694.db2.gz DJQWUWJUYZVXNL-NSHDSACASA-N 1 2 261.329 0.065 20 30 CCEDLO N#CCc1ccc(NCCC(=O)N2CCOCC2)[nH+]c1 ZINC001161973396 802261562 /nfs/dbraw/zinc/26/15/62/802261562.db2.gz GRJZPOHFOQXKMP-UHFFFAOYSA-N 1 2 274.324 0.808 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C#N)ccc2Cl)C[NH2+]1 ZINC001164310921 802717945 /nfs/dbraw/zinc/71/79/45/802717945.db2.gz ALGVYXMXQUAVTM-WPRPVWTQSA-N 1 2 280.715 0.922 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnnc(Cl)c1 ZINC001164650837 802775843 /nfs/dbraw/zinc/77/58/43/802775843.db2.gz CDDNORVBQPHIBQ-MRVPVSSYSA-N 1 2 273.674 0.977 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001105246751 811872205 /nfs/dbraw/zinc/87/22/05/811872205.db2.gz GRTQDTCDUVJZNE-UHFFFAOYSA-N 1 2 284.323 0.026 20 30 CCEDLO CN(C)C(=O)C1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001166737446 802954197 /nfs/dbraw/zinc/95/41/97/802954197.db2.gz GSZVCYYLNOVABN-UHFFFAOYSA-N 1 2 269.308 0.959 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCNCC#N ZINC001166961561 802996523 /nfs/dbraw/zinc/99/65/23/802996523.db2.gz RPLXJAZKHFOABQ-GHMZBOCLSA-N 1 2 261.329 0.143 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001276439955 803064555 /nfs/dbraw/zinc/06/45/55/803064555.db2.gz NHMLTXLLLFVANB-SNVBAGLBSA-N 1 2 288.413 0.432 20 30 CCEDLO N#Cc1ccc(-c2noc([C@@]3([NH3+])CCOC3)n2)nc1 ZINC001205228109 803128122 /nfs/dbraw/zinc/12/81/22/803128122.db2.gz XGYZRVGYDRNATK-GFCCVEGCSA-N 1 2 257.253 0.578 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CNCC#N)C1CC1 ZINC001276664406 803622702 /nfs/dbraw/zinc/62/27/02/803622702.db2.gz ACJCYDBKWFIXAW-JHJVBQTASA-N 1 2 287.367 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCOC(C)C)[C@H]2C1 ZINC001217326063 803885275 /nfs/dbraw/zinc/88/52/75/803885275.db2.gz FFRNCUBJSNVUTJ-UONOGXRCSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCOC(C)C)[C@H]2C1 ZINC001217326063 803885285 /nfs/dbraw/zinc/88/52/85/803885285.db2.gz FFRNCUBJSNVUTJ-UONOGXRCSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCOCC=C)[C@H]2C1 ZINC001217614107 803897113 /nfs/dbraw/zinc/89/71/13/803897113.db2.gz UKIFHRORBRYUTK-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCOCC=C)[C@H]2C1 ZINC001217614107 803897121 /nfs/dbraw/zinc/89/71/21/803897121.db2.gz UKIFHRORBRYUTK-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217619934 803897762 /nfs/dbraw/zinc/89/77/62/803897762.db2.gz IOUZSXSPQGWFIT-SJGINSCTSA-N 1 2 292.379 0.514 20 30 CCEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217619934 803897772 /nfs/dbraw/zinc/89/77/72/803897772.db2.gz IOUZSXSPQGWFIT-SJGINSCTSA-N 1 2 292.379 0.514 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217852566 803921703 /nfs/dbraw/zinc/92/17/03/803921703.db2.gz MBJUTSHCTMYJGR-LSDHHAIUSA-N 1 2 288.391 0.971 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217852566 803921706 /nfs/dbraw/zinc/92/17/06/803921706.db2.gz MBJUTSHCTMYJGR-LSDHHAIUSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](OCC)C3CC3)[C@H]2C1 ZINC001217915131 803925678 /nfs/dbraw/zinc/92/56/78/803925678.db2.gz LPUPFMLRTGCJRT-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](OCC)C3CC3)[C@H]2C1 ZINC001217915131 803925682 /nfs/dbraw/zinc/92/56/82/803925682.db2.gz LPUPFMLRTGCJRT-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#C[C@](C)(N)C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218554810 804002516 /nfs/dbraw/zinc/00/25/16/804002516.db2.gz HTXIYOBEPYDLAA-HNNXBMFYSA-N 1 2 287.367 0.123 20 30 CCEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2COCC[NH2+]2)s1 ZINC001218555139 804003568 /nfs/dbraw/zinc/00/35/68/804003568.db2.gz OQOCONSPGUFHOZ-VIFPVBQESA-N 1 2 251.311 0.855 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001276801651 804189442 /nfs/dbraw/zinc/18/94/42/804189442.db2.gz RVWWCYFLNSHDSK-CHWSQXEVSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001276801651 804189447 /nfs/dbraw/zinc/18/94/47/804189447.db2.gz RVWWCYFLNSHDSK-CHWSQXEVSA-N 1 2 252.358 0.871 20 30 CCEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC001219133366 804211294 /nfs/dbraw/zinc/21/12/94/804211294.db2.gz TVLJINWZJQQGGL-LBPRGKRZSA-N 1 2 289.291 0.272 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219333093 804275593 /nfs/dbraw/zinc/27/55/93/804275593.db2.gz PDIAQOAQVKLXTP-NEPJUHHUSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219333093 804275604 /nfs/dbraw/zinc/27/56/04/804275604.db2.gz PDIAQOAQVKLXTP-NEPJUHHUSA-N 1 2 297.399 0.029 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)C(C)C)[C@@H](O)C1 ZINC001219353871 804283052 /nfs/dbraw/zinc/28/30/52/804283052.db2.gz OAPFDGHMRFJUGT-ZNMIVQPWSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)C(C)C)[C@@H](O)C1 ZINC001219353871 804283058 /nfs/dbraw/zinc/28/30/58/804283058.db2.gz OAPFDGHMRFJUGT-ZNMIVQPWSA-N 1 2 296.411 0.480 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598049 804366392 /nfs/dbraw/zinc/36/63/92/804366392.db2.gz GIFIQXLLDJOWEQ-XQQFMLRXSA-N 1 2 284.375 0.945 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598049 804366400 /nfs/dbraw/zinc/36/64/00/804366400.db2.gz GIFIQXLLDJOWEQ-XQQFMLRXSA-N 1 2 284.375 0.945 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001276843129 804936170 /nfs/dbraw/zinc/93/61/70/804936170.db2.gz VDAXDJAAKCNFKN-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001276843129 804936173 /nfs/dbraw/zinc/93/61/73/804936173.db2.gz VDAXDJAAKCNFKN-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276854614 804943296 /nfs/dbraw/zinc/94/32/96/804943296.db2.gz ZZDSFEFBGIDJQR-ZFWWWQNUSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001276854614 804943302 /nfs/dbraw/zinc/94/33/02/804943302.db2.gz ZZDSFEFBGIDJQR-ZFWWWQNUSA-N 1 2 287.363 0.810 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001276862792 804952619 /nfs/dbraw/zinc/95/26/19/804952619.db2.gz XTXVSUNRGSLCMM-NWDGAFQWSA-N 1 2 267.373 0.668 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001276862792 804952627 /nfs/dbraw/zinc/95/26/27/804952627.db2.gz XTXVSUNRGSLCMM-NWDGAFQWSA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001276986052 805063124 /nfs/dbraw/zinc/06/31/24/805063124.db2.gz PCXQPOZYNZGJMS-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001276986052 805063133 /nfs/dbraw/zinc/06/31/33/805063133.db2.gz PCXQPOZYNZGJMS-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO N#CCN1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224657121 805067940 /nfs/dbraw/zinc/06/79/40/805067940.db2.gz WACSDHHMIBFRAB-UHFFFAOYSA-N 1 2 261.329 0.304 20 30 CCEDLO C=CCn1cc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)cn1 ZINC001277019115 805105599 /nfs/dbraw/zinc/10/55/99/805105599.db2.gz VKXNJGJPUGNFTG-CYBMUJFWSA-N 1 2 274.368 0.979 20 30 CCEDLO N#CCN1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658401 805149688 /nfs/dbraw/zinc/14/96/88/805149688.db2.gz ALDUOPAZDKAMOG-UHFFFAOYSA-N 1 2 261.329 0.235 20 30 CCEDLO CCn1cc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)nn1 ZINC001226639352 805259463 /nfs/dbraw/zinc/25/94/63/805259463.db2.gz BIWGDABCDGEZHS-NSHDSACASA-N 1 2 290.371 0.538 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001277402039 805543630 /nfs/dbraw/zinc/54/36/30/805543630.db2.gz DNWGAGWHQMDGLX-RYUDHWBXSA-N 1 2 269.414 0.842 20 30 CCEDLO C=CCCCNC(=S)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001277402039 805543639 /nfs/dbraw/zinc/54/36/39/805543639.db2.gz DNWGAGWHQMDGLX-RYUDHWBXSA-N 1 2 269.414 0.842 20 30 CCEDLO C=CCCCNC(=S)NC[C@H]1C[N@H+](C)CCO1 ZINC001247764436 807489837 /nfs/dbraw/zinc/48/98/37/807489837.db2.gz CGPYAHAVOXYAAK-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCCCNC(=S)NC[C@H]1C[N@@H+](C)CCO1 ZINC001247764436 807489841 /nfs/dbraw/zinc/48/98/41/807489841.db2.gz CGPYAHAVOXYAAK-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278494247 807493622 /nfs/dbraw/zinc/49/36/22/807493622.db2.gz OBVSJQYBQUKESU-RYUDHWBXSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278494247 807493625 /nfs/dbraw/zinc/49/36/25/807493625.db2.gz OBVSJQYBQUKESU-RYUDHWBXSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278500559 807507287 /nfs/dbraw/zinc/50/72/87/807507287.db2.gz MSVTUHXEHGZPIA-CHWSQXEVSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278500559 807507290 /nfs/dbraw/zinc/50/72/90/807507290.db2.gz MSVTUHXEHGZPIA-CHWSQXEVSA-N 1 2 294.399 0.785 20 30 CCEDLO Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)cnc1C#N ZINC001251005616 807636772 /nfs/dbraw/zinc/63/67/72/807636772.db2.gz CLYFPGDKJILHBH-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO COc1ccc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251025917 807644451 /nfs/dbraw/zinc/64/44/51/807644451.db2.gz IZFYTQQCMMWUIF-ZDUSSCGKSA-N 1 2 291.351 0.672 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075981425 815139045 /nfs/dbraw/zinc/13/90/45/815139045.db2.gz HIFUPKILKGLMHA-GXSJLCMTSA-N 1 2 281.747 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075981425 815139048 /nfs/dbraw/zinc/13/90/48/815139048.db2.gz HIFUPKILKGLMHA-GXSJLCMTSA-N 1 2 281.747 0.704 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001251821091 807709228 /nfs/dbraw/zinc/70/92/28/807709228.db2.gz GPOCTJKJHPSZTQ-CYBMUJFWSA-N 1 2 292.335 0.048 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1csnn1 ZINC001126828518 815142010 /nfs/dbraw/zinc/14/20/10/815142010.db2.gz XLWFBJRXDZWHNB-UHFFFAOYSA-N 1 2 252.343 0.403 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001251855589 807723258 /nfs/dbraw/zinc/72/32/58/807723258.db2.gz ZFZYQNNAWGIFNF-HUUCEWRRSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001251855589 807723264 /nfs/dbraw/zinc/72/32/64/807723264.db2.gz ZFZYQNNAWGIFNF-HUUCEWRRSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001251885118 807733795 /nfs/dbraw/zinc/73/37/95/807733795.db2.gz OCPMGEUXSHMRLD-LLVKDONJSA-N 1 2 255.314 0.073 20 30 CCEDLO C=CCOC[C@@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001252454779 807870652 /nfs/dbraw/zinc/87/06/52/807870652.db2.gz UCVJIFPXNKXBDE-LBPRGKRZSA-N 1 2 294.355 0.289 20 30 CCEDLO C=CCOC[C@@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001252454779 807870660 /nfs/dbraw/zinc/87/06/60/807870660.db2.gz UCVJIFPXNKXBDE-LBPRGKRZSA-N 1 2 294.355 0.289 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](O)C1 ZINC001083490646 815159042 /nfs/dbraw/zinc/15/90/42/815159042.db2.gz PGFRHSKZAIOQCW-KOLCDFICSA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](O)C1 ZINC001083490646 815159045 /nfs/dbraw/zinc/15/90/45/815159045.db2.gz PGFRHSKZAIOQCW-KOLCDFICSA-N 1 2 298.293 0.076 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001038490324 815155502 /nfs/dbraw/zinc/15/55/02/815155502.db2.gz XZTPCXQOOJOPNJ-UONOGXRCSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001038490324 815155510 /nfs/dbraw/zinc/15/55/10/815155510.db2.gz XZTPCXQOOJOPNJ-UONOGXRCSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H]1C ZINC001088796436 815166477 /nfs/dbraw/zinc/16/64/77/815166477.db2.gz KXHOBVBKUYUVQG-WOPDTQHZSA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H]1C ZINC001088796436 815166480 /nfs/dbraw/zinc/16/64/80/815166480.db2.gz KXHOBVBKUYUVQG-WOPDTQHZSA-N 1 2 299.802 0.939 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](O)C1 ZINC001083511823 815192707 /nfs/dbraw/zinc/19/27/07/815192707.db2.gz LAOTXBNRLXDRPE-NEPJUHHUSA-N 1 2 295.289 0.427 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](O)C1 ZINC001083511823 815192711 /nfs/dbraw/zinc/19/27/11/815192711.db2.gz LAOTXBNRLXDRPE-NEPJUHHUSA-N 1 2 295.289 0.427 20 30 CCEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)NC1(C#N)CCC1 ZINC001255582284 808409416 /nfs/dbraw/zinc/40/94/16/808409416.db2.gz WHUXMZQDKGJGNY-UWVGGRQHSA-N 1 2 276.344 0.417 20 30 CCEDLO C=CC[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC001256345548 808509247 /nfs/dbraw/zinc/50/92/47/808509247.db2.gz BEERUTWITFSNMO-LBPRGKRZSA-N 1 2 279.340 0.977 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](O)C1 ZINC001083545952 815276447 /nfs/dbraw/zinc/27/64/47/815276447.db2.gz OVAOOTAIVSPGTC-KGLIPLIRSA-N 1 2 298.346 0.313 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](O)C1 ZINC001083545952 815276453 /nfs/dbraw/zinc/27/64/53/815276453.db2.gz OVAOOTAIVSPGTC-KGLIPLIRSA-N 1 2 298.346 0.313 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCOC ZINC001262947118 809423421 /nfs/dbraw/zinc/42/34/21/809423421.db2.gz FUNYGGGJGOKILL-NWDGAFQWSA-N 1 2 295.387 0.284 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCOC ZINC001262947118 809423425 /nfs/dbraw/zinc/42/34/25/809423425.db2.gz FUNYGGGJGOKILL-NWDGAFQWSA-N 1 2 295.387 0.284 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001262947575 809423730 /nfs/dbraw/zinc/42/37/30/809423730.db2.gz OLYOMXWAVNQBSB-KBPBESRZSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001262947575 809423734 /nfs/dbraw/zinc/42/37/34/809423734.db2.gz OLYOMXWAVNQBSB-KBPBESRZSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)O)n2CC=C)CC1 ZINC001262954054 809424818 /nfs/dbraw/zinc/42/48/18/809424818.db2.gz LHIAQSKXWKISPW-LBPRGKRZSA-N 1 2 275.356 0.273 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCn1cc[nH+]c1 ZINC001263804651 809573941 /nfs/dbraw/zinc/57/39/41/809573941.db2.gz FGBLWUMHHOIDCZ-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H]1C ZINC001264708595 809673159 /nfs/dbraw/zinc/67/31/59/809673159.db2.gz QEGBJHOPSMQETR-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H]1C ZINC001264708595 809673162 /nfs/dbraw/zinc/67/31/62/809673162.db2.gz QEGBJHOPSMQETR-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001265235526 809729791 /nfs/dbraw/zinc/72/97/91/809729791.db2.gz QWVLEQCZEKVNCX-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001265235526 809729796 /nfs/dbraw/zinc/72/97/96/809729796.db2.gz QWVLEQCZEKVNCX-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001265299257 809749765 /nfs/dbraw/zinc/74/97/65/809749765.db2.gz LRZKTNXXFSMBLL-CNTYAEFGSA-N 1 2 289.379 0.449 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001265299257 809749769 /nfs/dbraw/zinc/74/97/69/809749769.db2.gz LRZKTNXXFSMBLL-CNTYAEFGSA-N 1 2 289.379 0.449 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001265297569 809750421 /nfs/dbraw/zinc/75/04/21/809750421.db2.gz TWRLKTWXFBSLPC-BBRMVZONSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001265297569 809750426 /nfs/dbraw/zinc/75/04/26/809750426.db2.gz TWRLKTWXFBSLPC-BBRMVZONSA-N 1 2 289.379 0.283 20 30 CCEDLO CC(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001265638548 809817827 /nfs/dbraw/zinc/81/78/27/809817827.db2.gz IRZMKHFELFJCQF-LBPRGKRZSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001265638548 809817831 /nfs/dbraw/zinc/81/78/31/809817831.db2.gz IRZMKHFELFJCQF-LBPRGKRZSA-N 1 2 280.372 0.253 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001266212330 809962921 /nfs/dbraw/zinc/96/29/21/809962921.db2.gz MHWICPGMZACYCU-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001266212330 809962925 /nfs/dbraw/zinc/96/29/25/809962925.db2.gz MHWICPGMZACYCU-CYBMUJFWSA-N 1 2 290.367 0.317 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001279489260 809984834 /nfs/dbraw/zinc/98/48/34/809984834.db2.gz CLYZVITUMKMSBU-OAHLLOKOSA-N 1 2 297.399 0.017 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001279489260 809984840 /nfs/dbraw/zinc/98/48/40/809984840.db2.gz CLYZVITUMKMSBU-OAHLLOKOSA-N 1 2 297.399 0.017 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C)C1 ZINC001076768322 815368626 /nfs/dbraw/zinc/36/86/26/815368626.db2.gz NSQLRHBSKKWDAO-NXEZZACHSA-N 1 2 267.354 0.412 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C)C1 ZINC001076768322 815368631 /nfs/dbraw/zinc/36/86/31/815368631.db2.gz NSQLRHBSKKWDAO-NXEZZACHSA-N 1 2 267.354 0.412 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csnc2C)C1 ZINC001076903171 815410252 /nfs/dbraw/zinc/41/02/52/815410252.db2.gz JYXZOHLOIOTYBD-VXGBXAGGSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csnc2C)C1 ZINC001076903171 815410255 /nfs/dbraw/zinc/41/02/55/815410255.db2.gz JYXZOHLOIOTYBD-VXGBXAGGSA-N 1 2 279.365 0.250 20 30 CCEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562495 811320461 /nfs/dbraw/zinc/32/04/61/811320461.db2.gz LMWRHEIOIBZBAE-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098591690 811419088 /nfs/dbraw/zinc/41/90/88/811419088.db2.gz MKRUJUKQFYVEBP-ZDUSSCGKSA-N 1 2 261.329 0.184 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC001267647624 811613816 /nfs/dbraw/zinc/61/38/16/811613816.db2.gz RZMDMQOALKMJJS-NSHDSACASA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C=C(C)C)C1 ZINC001267674711 811638017 /nfs/dbraw/zinc/63/80/17/811638017.db2.gz GQGSPUDTLLCVIF-UHFFFAOYSA-N 1 2 265.357 0.303 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)CC ZINC001267704583 811668533 /nfs/dbraw/zinc/66/85/33/811668533.db2.gz AWODCIBEAYEYPR-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)CC ZINC001267704583 811668537 /nfs/dbraw/zinc/66/85/37/811668537.db2.gz AWODCIBEAYEYPR-KBPBESRZSA-N 1 2 291.395 0.553 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145428 811669105 /nfs/dbraw/zinc/66/91/05/811669105.db2.gz MQQGPGVLHHMLJU-GFCCVEGCSA-N 1 2 256.309 0.714 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145428 811669111 /nfs/dbraw/zinc/66/91/11/811669111.db2.gz MQQGPGVLHHMLJU-GFCCVEGCSA-N 1 2 256.309 0.714 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001077272577 815470470 /nfs/dbraw/zinc/47/04/70/815470470.db2.gz CGQVUHYBYSKAPN-ZIAGYGMSSA-N 1 2 287.363 0.154 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001077272577 815470474 /nfs/dbraw/zinc/47/04/74/815470474.db2.gz CGQVUHYBYSKAPN-ZIAGYGMSSA-N 1 2 287.363 0.154 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267742807 811726426 /nfs/dbraw/zinc/72/64/26/811726426.db2.gz ASEZIPYFJMHZDM-GFCCVEGCSA-N 1 2 265.357 0.431 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267742807 811726433 /nfs/dbraw/zinc/72/64/33/811726433.db2.gz ASEZIPYFJMHZDM-GFCCVEGCSA-N 1 2 265.357 0.431 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccco3)C2)nn1 ZINC001105136894 811854989 /nfs/dbraw/zinc/85/49/89/811854989.db2.gz KZPYQHDOHXHDEV-UHFFFAOYSA-N 1 2 285.307 0.291 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105140345 811856092 /nfs/dbraw/zinc/85/60/92/811856092.db2.gz ZPAUAZWECYCCEI-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(F)F)C2)nn1 ZINC001105318953 811910018 /nfs/dbraw/zinc/91/00/18/811910018.db2.gz VIGNABUOXLDAFG-UHFFFAOYSA-N 1 2 297.309 0.430 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001077363124 815485426 /nfs/dbraw/zinc/48/54/26/815485426.db2.gz HJGSTHCRVQISTH-RKDXNWHRSA-N 1 2 299.783 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001077363124 815485429 /nfs/dbraw/zinc/48/54/29/815485429.db2.gz HJGSTHCRVQISTH-RKDXNWHRSA-N 1 2 299.783 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001268020720 811967495 /nfs/dbraw/zinc/96/74/95/811967495.db2.gz JSHBQLUHRHLXAU-UKRRQHHQSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001268020720 811967499 /nfs/dbraw/zinc/96/74/99/811967499.db2.gz JSHBQLUHRHLXAU-UKRRQHHQSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(COC)CC2)C1 ZINC001268023298 811979786 /nfs/dbraw/zinc/97/97/86/811979786.db2.gz IGDLJFSIFQEVAV-GFCCVEGCSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(COC)CC2)C1 ZINC001268023298 811979788 /nfs/dbraw/zinc/97/97/88/811979788.db2.gz IGDLJFSIFQEVAV-GFCCVEGCSA-N 1 2 268.357 0.416 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242923 812079658 /nfs/dbraw/zinc/07/96/58/812079658.db2.gz DZJMYCKPHXNUOE-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn32)[C@@H](O)C1 ZINC001083586484 815505769 /nfs/dbraw/zinc/50/57/69/815505769.db2.gz WYOPEAPXHSKLRV-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn32)[C@@H](O)C1 ZINC001083586484 815505773 /nfs/dbraw/zinc/50/57/73/815505773.db2.gz WYOPEAPXHSKLRV-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078360 812255858 /nfs/dbraw/zinc/25/58/58/812255858.db2.gz IFWWPTPVFVWGHR-SECBINFHSA-N 1 2 284.751 0.157 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078360 812255863 /nfs/dbraw/zinc/25/58/63/812255863.db2.gz IFWWPTPVFVWGHR-SECBINFHSA-N 1 2 284.751 0.157 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001126333680 812365214 /nfs/dbraw/zinc/36/52/14/812365214.db2.gz LYJICQWLMLGBNC-UHFFFAOYSA-N 1 2 294.355 0.268 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268306569 812469350 /nfs/dbraw/zinc/46/93/50/812469350.db2.gz NVDULALXSOZPTK-LLVKDONJSA-N 1 2 296.371 0.547 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(COC)CCC2)C1 ZINC001268343415 812507682 /nfs/dbraw/zinc/50/76/82/812507682.db2.gz QHVGDEYDWYYQSQ-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO C=CC[N@@H+](CC(=O)OCC)C[C@]1(OC)CCOC1 ZINC000822019412 821471904 /nfs/dbraw/zinc/47/19/04/821471904.db2.gz NOUCZVSBZGELLR-CYBMUJFWSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CC[N@H+](CC(=O)OCC)C[C@]1(OC)CCOC1 ZINC000822019412 821471908 /nfs/dbraw/zinc/47/19/08/821471908.db2.gz NOUCZVSBZGELLR-CYBMUJFWSA-N 1 2 257.330 0.843 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000692929281 812576660 /nfs/dbraw/zinc/57/66/60/812576660.db2.gz NWIZHXKSBDCNDC-AWEZNQCLSA-N 1 2 263.385 0.686 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000692929281 812576667 /nfs/dbraw/zinc/57/66/67/812576667.db2.gz NWIZHXKSBDCNDC-AWEZNQCLSA-N 1 2 263.385 0.686 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001126366063 812681882 /nfs/dbraw/zinc/68/18/82/812681882.db2.gz QHPQEGZMZMNQRN-CQSZACIVSA-N 1 2 296.371 0.555 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 ZINC001211793349 812736349 /nfs/dbraw/zinc/73/63/49/812736349.db2.gz RPRUBHILKXJUCH-ZIAGYGMSSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 ZINC001211793349 812736355 /nfs/dbraw/zinc/73/63/55/812736355.db2.gz RPRUBHILKXJUCH-ZIAGYGMSSA-N 1 2 282.384 0.498 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]cc3C)C2)nn1 ZINC001105372421 812909001 /nfs/dbraw/zinc/90/90/01/812909001.db2.gz GJFHURZXUNJACU-UHFFFAOYSA-N 1 2 298.350 0.335 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001269126414 813229195 /nfs/dbraw/zinc/22/91/95/813229195.db2.gz LRDVGMRSHVTIEX-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001269126414 813229199 /nfs/dbraw/zinc/22/91/99/813229199.db2.gz LRDVGMRSHVTIEX-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO N#CCNC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001270105791 813638150 /nfs/dbraw/zinc/63/81/50/813638150.db2.gz SXQJGXAQOGXNPV-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038417174 813697491 /nfs/dbraw/zinc/69/74/91/813697491.db2.gz HUKCJHWEEAUNRR-CQSZACIVSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038417174 813697495 /nfs/dbraw/zinc/69/74/95/813697495.db2.gz HUKCJHWEEAUNRR-CQSZACIVSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038420908 813736629 /nfs/dbraw/zinc/73/66/29/813736629.db2.gz WSILEBWZMXBNDV-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038420908 813736631 /nfs/dbraw/zinc/73/66/31/813736631.db2.gz WSILEBWZMXBNDV-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038422924 813782465 /nfs/dbraw/zinc/78/24/65/813782465.db2.gz BHKIEHZWNRCKNZ-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001075759119 813838564 /nfs/dbraw/zinc/83/85/64/813838564.db2.gz VRGMEQFHDBOIDO-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001075759119 813838570 /nfs/dbraw/zinc/83/85/70/813838570.db2.gz VRGMEQFHDBOIDO-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](OC)C2CC2)C1 ZINC001270638090 813864252 /nfs/dbraw/zinc/86/42/52/813864252.db2.gz IXPVFFXUBQWBEO-CHWSQXEVSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](OC)C2CC2)C1 ZINC001270638090 813864260 /nfs/dbraw/zinc/86/42/60/813864260.db2.gz IXPVFFXUBQWBEO-CHWSQXEVSA-N 1 2 268.357 0.414 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](OC)[C@@H](C)CC)C1 ZINC001271311330 814375167 /nfs/dbraw/zinc/37/51/67/814375167.db2.gz DBTJUSPPKOQSRI-STQMWFEESA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001271319551 814378931 /nfs/dbraw/zinc/37/89/31/814378931.db2.gz JYCMCKCQUOWAIM-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO CCOCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC(C)C ZINC001280406839 814479034 /nfs/dbraw/zinc/47/90/34/814479034.db2.gz XRMOMNBGVOCFQR-HNNXBMFYSA-N 1 2 296.411 0.889 20 30 CCEDLO CCOCCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC(C)C ZINC001280406839 814479037 /nfs/dbraw/zinc/47/90/37/814479037.db2.gz XRMOMNBGVOCFQR-HNNXBMFYSA-N 1 2 296.411 0.889 20 30 CCEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001271956335 814650117 /nfs/dbraw/zinc/65/01/17/814650117.db2.gz CJTNRIFXBKALBF-AWEZNQCLSA-N 1 2 270.348 0.558 20 30 CCEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271956335 814650123 /nfs/dbraw/zinc/65/01/23/814650123.db2.gz CJTNRIFXBKALBF-AWEZNQCLSA-N 1 2 270.348 0.558 20 30 CCEDLO CN(CCN(C)c1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001105453931 814892976 /nfs/dbraw/zinc/89/29/76/814892976.db2.gz LTNLQSMXRXPRQZ-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001030326938 815977361 /nfs/dbraw/zinc/97/73/61/815977361.db2.gz RRXMEFZAEKIJQU-KBPBESRZSA-N 1 2 264.369 0.871 20 30 CCEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(CC#N)C1 ZINC001030326175 815977370 /nfs/dbraw/zinc/97/73/70/815977370.db2.gz CSFBWKLFQFBLNL-TZMCWYRMSA-N 1 2 299.378 0.478 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001030361023 815995548 /nfs/dbraw/zinc/99/55/48/815995548.db2.gz BMBXWSMTUZWRPI-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001030369561 815998617 /nfs/dbraw/zinc/99/86/17/815998617.db2.gz KDXSNLMAAQEUDN-UHFFFAOYSA-N 1 2 296.321 0.953 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001030391379 816010631 /nfs/dbraw/zinc/01/06/31/816010631.db2.gz BVWAADXIGLQSLT-CHWSQXEVSA-N 1 2 250.342 0.768 20 30 CCEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001030541467 816097631 /nfs/dbraw/zinc/09/76/31/816097631.db2.gz OUAAXFBEPVKCHB-UHFFFAOYSA-N 1 2 276.336 0.658 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001030552722 816103697 /nfs/dbraw/zinc/10/36/97/816103697.db2.gz NRFRFYNFIZWUCJ-LLVKDONJSA-N 1 2 294.786 0.998 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)Cn2cncc2C)C1 ZINC001030684140 816216020 /nfs/dbraw/zinc/21/60/20/816216020.db2.gz NGAIZTATEDYRJR-UHFFFAOYSA-N 1 2 262.357 0.958 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001030686110 816218298 /nfs/dbraw/zinc/21/82/98/816218298.db2.gz PPZBUXIDVUSDCU-UHFFFAOYSA-N 1 2 297.362 0.563 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001030697362 816231151 /nfs/dbraw/zinc/23/11/51/816231151.db2.gz QPTSGWNQDQDAMV-FPMFFAJLSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001030726061 816252050 /nfs/dbraw/zinc/25/20/50/816252050.db2.gz YNWHXAZGJKULHM-NEPJUHHUSA-N 1 2 277.368 0.115 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001030725026 816252203 /nfs/dbraw/zinc/25/22/03/816252203.db2.gz MQFRPVSWBZCWLD-RYUDHWBXSA-N 1 2 279.384 0.668 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2COCCN2CCCC)C1 ZINC001030737936 816257889 /nfs/dbraw/zinc/25/78/89/816257889.db2.gz OYNKEWUIBDBMAJ-OAHLLOKOSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001030745221 816260019 /nfs/dbraw/zinc/26/00/19/816260019.db2.gz XZVHMVPGFPVUSE-LLVKDONJSA-N 1 2 265.357 0.279 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC001046026372 816294399 /nfs/dbraw/zinc/29/43/99/816294399.db2.gz UVDUVSQDUMALRD-RYUDHWBXSA-N 1 2 298.337 0.384 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001030859370 816355184 /nfs/dbraw/zinc/35/51/84/816355184.db2.gz GOZZGHNXDUUZMR-NSHDSACASA-N 1 2 275.356 0.601 20 30 CCEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992335683 816412714 /nfs/dbraw/zinc/41/27/14/816412714.db2.gz WXLRPCYCPGTMLO-SMDDNHRTSA-N 1 2 273.340 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992335683 816412720 /nfs/dbraw/zinc/41/27/20/816412720.db2.gz WXLRPCYCPGTMLO-SMDDNHRTSA-N 1 2 273.340 0.555 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001121509453 816433902 /nfs/dbraw/zinc/43/39/02/816433902.db2.gz GEUFOVKKWFLBTP-STQMWFEESA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001121509453 816433908 /nfs/dbraw/zinc/43/39/08/816433908.db2.gz GEUFOVKKWFLBTP-STQMWFEESA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001031014750 816563744 /nfs/dbraw/zinc/56/37/44/816563744.db2.gz RMOKICVIWPOGOA-UHFFFAOYSA-N 1 2 297.358 0.399 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CC)nc2C)C1 ZINC001031028561 816580346 /nfs/dbraw/zinc/58/03/46/816580346.db2.gz PGQUCVUOQMJJJB-UHFFFAOYSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cccnn32)C1 ZINC001031066546 816622355 /nfs/dbraw/zinc/62/23/55/816622355.db2.gz FSPTXBCWIOIKTE-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031076957 816629805 /nfs/dbraw/zinc/62/98/05/816629805.db2.gz DJWLHKGGROTNRM-XBFCOCLRSA-N 1 2 282.384 0.539 20 30 CCEDLO C=CCN1CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001031195527 816781464 /nfs/dbraw/zinc/78/14/64/816781464.db2.gz LKYZVBCHPVSDIG-UHFFFAOYSA-N 1 2 283.335 0.867 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001031212535 816819038 /nfs/dbraw/zinc/81/90/38/816819038.db2.gz CQGHTTBTUCAFOS-UHFFFAOYSA-N 1 2 272.352 0.730 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](CC)OC)C2)cn1 ZINC001031279373 816923628 /nfs/dbraw/zinc/92/36/28/816923628.db2.gz AJVAIFNPHOSHKR-OAHLLOKOSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)COC)C2)nc1 ZINC001031279322 816924036 /nfs/dbraw/zinc/92/40/36/816924036.db2.gz XNSFGDMIWBGZLF-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001031328085 816984382 /nfs/dbraw/zinc/98/43/82/816984382.db2.gz ONNNXJWUPVHQFF-LBPRGKRZSA-N 1 2 265.357 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3nnn(C)c32)C1 ZINC001031499567 817085878 /nfs/dbraw/zinc/08/58/78/817085878.db2.gz KQOCQSJMFNDYLH-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031531318 817112036 /nfs/dbraw/zinc/11/20/36/817112036.db2.gz PDLOCKKOVJRISG-UHFFFAOYSA-N 1 2 281.743 0.734 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783567 817365038 /nfs/dbraw/zinc/36/50/38/817365038.db2.gz YYWBBNMCKHZHSY-LBPRGKRZSA-N 1 2 273.340 0.017 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001031802487 817379020 /nfs/dbraw/zinc/37/90/20/817379020.db2.gz OMARWEACFXOYFX-ZYHUDNBSSA-N 1 2 299.802 0.702 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001124483910 817486627 /nfs/dbraw/zinc/48/66/27/817486627.db2.gz PSEFGKBEJCLWLC-JTQLQIEISA-N 1 2 284.385 0.725 20 30 CCEDLO CCN(CCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106961624 817514303 /nfs/dbraw/zinc/51/43/03/817514303.db2.gz LJEAJUPPEIPEIL-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccn(C)n3)C2)OCC1=O ZINC001272734346 817622158 /nfs/dbraw/zinc/62/21/58/817622158.db2.gz WAZPFNLGGPJEGO-OAHLLOKOSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccn(C)n3)C2)OCC1=O ZINC001272734346 817622159 /nfs/dbraw/zinc/62/21/59/817622159.db2.gz WAZPFNLGGPJEGO-OAHLLOKOSA-N 1 2 290.367 0.409 20 30 CCEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107140352 817791510 /nfs/dbraw/zinc/79/15/10/817791510.db2.gz ARNGIMQVCOKYLF-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001107311383 817832800 /nfs/dbraw/zinc/83/28/00/817832800.db2.gz DDXMNLUQPFABLT-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(F)c1 ZINC001032309490 817835439 /nfs/dbraw/zinc/83/54/39/817835439.db2.gz LGYCHOMLLZPFGK-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(F)c1 ZINC001032309490 817835450 /nfs/dbraw/zinc/83/54/50/817835450.db2.gz LGYCHOMLLZPFGK-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1 ZINC001032317113 817849727 /nfs/dbraw/zinc/84/97/27/817849727.db2.gz FQKHKPSWSXILLL-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1 ZINC001032317113 817849736 /nfs/dbraw/zinc/84/97/36/817849736.db2.gz FQKHKPSWSXILLL-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032318978 817853376 /nfs/dbraw/zinc/85/33/76/817853376.db2.gz DXLNYUBELWTRSF-WOPDTQHZSA-N 1 2 273.340 0.365 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805063 817891635 /nfs/dbraw/zinc/89/16/35/817891635.db2.gz ITWJVAPJUWFLDD-HTQZYQBOSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127805063 817891641 /nfs/dbraw/zinc/89/16/41/817891641.db2.gz ITWJVAPJUWFLDD-HTQZYQBOSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]c2)C1 ZINC001107766662 817993915 /nfs/dbraw/zinc/99/39/15/817993915.db2.gz XSXPAOPVMOQUMG-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]c2)C1 ZINC001107766662 817993920 /nfs/dbraw/zinc/99/39/20/817993920.db2.gz XSXPAOPVMOQUMG-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799393 818017987 /nfs/dbraw/zinc/01/79/87/818017987.db2.gz DQEZSRJLEAXHMM-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799393 818017994 /nfs/dbraw/zinc/01/79/94/818017994.db2.gz DQEZSRJLEAXHMM-UKRRQHHQSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799726 818019004 /nfs/dbraw/zinc/01/90/04/818019004.db2.gz LCMCDBVGORVVGM-JSGCOSHPSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799726 818019012 /nfs/dbraw/zinc/01/90/12/818019012.db2.gz LCMCDBVGORVVGM-JSGCOSHPSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOCC)C1 ZINC001107807397 818021903 /nfs/dbraw/zinc/02/19/03/818021903.db2.gz ZAMYKNBNXFTLKP-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOCC)C1 ZINC001107807397 818021912 /nfs/dbraw/zinc/02/19/12/818021912.db2.gz ZAMYKNBNXFTLKP-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001107812448 818029106 /nfs/dbraw/zinc/02/91/06/818029106.db2.gz QISMTCVPVGSODY-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001083807561 818061195 /nfs/dbraw/zinc/06/11/95/818061195.db2.gz QAWSEMQTEFEHMU-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001083807561 818061201 /nfs/dbraw/zinc/06/12/01/818061201.db2.gz QAWSEMQTEFEHMU-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@@H](O)C1 ZINC001083812234 818097929 /nfs/dbraw/zinc/09/79/29/818097929.db2.gz RKAXOVMIUPZGSF-ZACQAIPSSA-N 1 2 298.386 0.586 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@@H](O)C1 ZINC001083812234 818097936 /nfs/dbraw/zinc/09/79/36/818097936.db2.gz RKAXOVMIUPZGSF-ZACQAIPSSA-N 1 2 298.386 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2)[C@@H](O)C1 ZINC001083812746 818120186 /nfs/dbraw/zinc/12/01/86/818120186.db2.gz GQGHSAVSOSRRLQ-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2)[C@@H](O)C1 ZINC001083812746 818120190 /nfs/dbraw/zinc/12/01/90/818120190.db2.gz GQGHSAVSOSRRLQ-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099652200 818428542 /nfs/dbraw/zinc/42/85/42/818428542.db2.gz YHASQXORDWGRQL-ZJUUUORDSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099652200 818428544 /nfs/dbraw/zinc/42/85/44/818428544.db2.gz YHASQXORDWGRQL-ZJUUUORDSA-N 1 2 278.805 0.653 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCN(CC#N)C1 ZINC001033207307 818651212 /nfs/dbraw/zinc/65/12/12/818651212.db2.gz KOWKHVULDKFJJX-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001033290863 818693071 /nfs/dbraw/zinc/69/30/71/818693071.db2.gz ZPIVLIDOFQXSSN-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001033290863 818693077 /nfs/dbraw/zinc/69/30/77/818693077.db2.gz ZPIVLIDOFQXSSN-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033322534 818708554 /nfs/dbraw/zinc/70/85/54/818708554.db2.gz MZZQXSVAWJAEEY-AWEZNQCLSA-N 1 2 285.347 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033322534 818708561 /nfs/dbraw/zinc/70/85/61/818708561.db2.gz MZZQXSVAWJAEEY-AWEZNQCLSA-N 1 2 285.347 0.300 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033322399 818708711 /nfs/dbraw/zinc/70/87/11/818708711.db2.gz UKNHKIPRTQIJGG-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033322399 818708716 /nfs/dbraw/zinc/70/87/16/818708716.db2.gz UKNHKIPRTQIJGG-MNOVXSKESA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033390104 818756128 /nfs/dbraw/zinc/75/61/28/818756128.db2.gz AWHHKXLFXQCYSZ-LLVKDONJSA-N 1 2 278.356 0.848 20 30 CCEDLO C#CCN1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585060 818846327 /nfs/dbraw/zinc/84/63/27/818846327.db2.gz FDYHNQZXZMJXKY-ZDUSSCGKSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001108118826 819099987 /nfs/dbraw/zinc/09/99/87/819099987.db2.gz CBVSRROIMKSMOM-CQSZACIVSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001108118826 819099992 /nfs/dbraw/zinc/09/99/92/819099992.db2.gz CBVSRROIMKSMOM-CQSZACIVSA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090195680 819120138 /nfs/dbraw/zinc/12/01/38/819120138.db2.gz WUQQRXYHEWRCHB-STQMWFEESA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090195680 819120142 /nfs/dbraw/zinc/12/01/42/819120142.db2.gz WUQQRXYHEWRCHB-STQMWFEESA-N 1 2 297.786 0.943 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C(\C)CC)[C@@H](n2ccnn2)C1 ZINC001128972493 819251871 /nfs/dbraw/zinc/25/18/71/819251871.db2.gz YYJNGDJDSJKOJH-NEKXEHSPSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C(\C)CC)[C@@H](n2ccnn2)C1 ZINC001128972493 819251875 /nfs/dbraw/zinc/25/18/75/819251875.db2.gz YYJNGDJDSJKOJH-NEKXEHSPSA-N 1 2 287.367 0.609 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136094 819281630 /nfs/dbraw/zinc/28/16/30/819281630.db2.gz MKWJDTIRKUECJK-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC001035270610 819435038 /nfs/dbraw/zinc/43/50/38/819435038.db2.gz LMYLJCQAURMTFK-GFCCVEGCSA-N 1 2 262.309 0.734 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC001035270610 819435042 /nfs/dbraw/zinc/43/50/42/819435042.db2.gz LMYLJCQAURMTFK-GFCCVEGCSA-N 1 2 262.309 0.734 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035302166 819454674 /nfs/dbraw/zinc/45/46/74/819454674.db2.gz GJEVDMBFKKUWNJ-LLVKDONJSA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035302166 819454682 /nfs/dbraw/zinc/45/46/82/819454682.db2.gz GJEVDMBFKKUWNJ-LLVKDONJSA-N 1 2 250.302 0.026 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303394 819455343 /nfs/dbraw/zinc/45/53/43/819455343.db2.gz QLUCQPNEWLLGPI-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303394 819455345 /nfs/dbraw/zinc/45/53/45/819455345.db2.gz QLUCQPNEWLLGPI-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035315794 819465280 /nfs/dbraw/zinc/46/52/80/819465280.db2.gz GCDDOGZGGXEQGG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035315794 819465286 /nfs/dbraw/zinc/46/52/86/819465286.db2.gz GCDDOGZGGXEQGG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035314419 819465628 /nfs/dbraw/zinc/46/56/28/819465628.db2.gz XEKUGZVIXWAVLB-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035314419 819465630 /nfs/dbraw/zinc/46/56/30/819465630.db2.gz XEKUGZVIXWAVLB-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035320991 819468124 /nfs/dbraw/zinc/46/81/24/819468124.db2.gz VWNJQMKNXPAHOQ-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035320991 819468131 /nfs/dbraw/zinc/46/81/31/819468131.db2.gz VWNJQMKNXPAHOQ-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035321778 819468474 /nfs/dbraw/zinc/46/84/74/819468474.db2.gz CCLYLYSGSOFLPH-LBPRGKRZSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035321778 819468480 /nfs/dbraw/zinc/46/84/80/819468480.db2.gz CCLYLYSGSOFLPH-LBPRGKRZSA-N 1 2 291.351 0.794 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035343522 819481903 /nfs/dbraw/zinc/48/19/03/819481903.db2.gz XTLJQHHTMSLYGZ-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035343522 819481907 /nfs/dbraw/zinc/48/19/07/819481907.db2.gz XTLJQHHTMSLYGZ-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001035422689 819511714 /nfs/dbraw/zinc/51/17/14/819511714.db2.gz DYTTVCWTFSRZGV-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001035422689 819511718 /nfs/dbraw/zinc/51/17/18/819511718.db2.gz DYTTVCWTFSRZGV-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001035453689 819520081 /nfs/dbraw/zinc/52/00/81/819520081.db2.gz PDAQQLAJLZKECJ-ZNMIVQPWSA-N 1 2 294.395 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001035453689 819520087 /nfs/dbraw/zinc/52/00/87/819520087.db2.gz PDAQQLAJLZKECJ-ZNMIVQPWSA-N 1 2 294.395 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035464670 819538192 /nfs/dbraw/zinc/53/81/92/819538192.db2.gz XFQXYLXEVGBOQR-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035464670 819538196 /nfs/dbraw/zinc/53/81/96/819538196.db2.gz XFQXYLXEVGBOQR-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001035513631 819546827 /nfs/dbraw/zinc/54/68/27/819546827.db2.gz GPQHGOHXXGSBAH-MJBXVCDLSA-N 1 2 280.368 0.581 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001035513631 819546834 /nfs/dbraw/zinc/54/68/34/819546834.db2.gz GPQHGOHXXGSBAH-MJBXVCDLSA-N 1 2 280.368 0.581 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035588762 819579135 /nfs/dbraw/zinc/57/91/35/819579135.db2.gz FUUGKXCKDYBXNA-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035588762 819579141 /nfs/dbraw/zinc/57/91/41/819579141.db2.gz FUUGKXCKDYBXNA-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO N#Cc1c2c(cnc1-n1[nH]c(=O)nc1C[NH3+])CCC2 ZINC001168760933 819783634 /nfs/dbraw/zinc/78/36/34/819783634.db2.gz VTFCMFZPAXGSCV-UHFFFAOYSA-N 1 2 256.269 0.187 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000711011409 819874107 /nfs/dbraw/zinc/87/41/07/819874107.db2.gz WYOLMZWNPREXRH-UHFFFAOYSA-N 1 2 256.371 0.510 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064207600 820187226 /nfs/dbraw/zinc/18/72/26/820187226.db2.gz QJPPZVRFTJAODF-JTQLQIEISA-N 1 2 289.339 0.267 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080414414 820571726 /nfs/dbraw/zinc/57/17/26/820571726.db2.gz KZNFNMJKRHLOTQ-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001081459571 820767322 /nfs/dbraw/zinc/76/73/22/820767322.db2.gz GVYUVMQDIVLGOT-ZYHUDNBSSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001081459571 820767325 /nfs/dbraw/zinc/76/73/25/820767325.db2.gz GVYUVMQDIVLGOT-ZYHUDNBSSA-N 1 2 277.324 0.299 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@H](OC)C1 ZINC001081656595 820810636 /nfs/dbraw/zinc/81/06/36/820810636.db2.gz ATFBGZITFJLKLC-CHWSQXEVSA-N 1 2 290.367 0.181 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@H](OC)C1 ZINC001081656595 820810639 /nfs/dbraw/zinc/81/06/39/820810639.db2.gz ATFBGZITFJLKLC-CHWSQXEVSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001081737073 820822516 /nfs/dbraw/zinc/82/25/16/820822516.db2.gz KFANBDZGYYCLFA-VXGBXAGGSA-N 1 2 295.289 0.422 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001081737073 820822524 /nfs/dbraw/zinc/82/25/24/820822524.db2.gz KFANBDZGYYCLFA-VXGBXAGGSA-N 1 2 295.289 0.422 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 ZINC001081836811 820846212 /nfs/dbraw/zinc/84/62/12/820846212.db2.gz HSDJVUBJAHBDOZ-GHMZBOCLSA-N 1 2 265.338 0.205 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 ZINC001081836811 820846221 /nfs/dbraw/zinc/84/62/21/820846221.db2.gz HSDJVUBJAHBDOZ-GHMZBOCLSA-N 1 2 265.338 0.205 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@H](OC)C1 ZINC001081885832 820852782 /nfs/dbraw/zinc/85/27/82/820852782.db2.gz HELORWSIFAANIZ-CHWSQXEVSA-N 1 2 290.367 0.595 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@H](OC)C1 ZINC001081885832 820852790 /nfs/dbraw/zinc/85/27/90/820852790.db2.gz HELORWSIFAANIZ-CHWSQXEVSA-N 1 2 290.367 0.595 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(C#C)c2)[C@H](OC)C1 ZINC001082117129 820900382 /nfs/dbraw/zinc/90/03/82/820900382.db2.gz OIDVALNCIDEOCX-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(C#C)c2)[C@H](OC)C1 ZINC001082117129 820900387 /nfs/dbraw/zinc/90/03/87/820900387.db2.gz OIDVALNCIDEOCX-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)nc2)[C@H](OC)C1 ZINC001082333539 820936348 /nfs/dbraw/zinc/93/63/48/820936348.db2.gz MVXZWXCFRIOAAR-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)nc2)[C@H](OC)C1 ZINC001082333539 820936351 /nfs/dbraw/zinc/93/63/51/820936351.db2.gz MVXZWXCFRIOAAR-HUUCEWRRSA-N 1 2 283.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CCOCC3)[C@H]2C1 ZINC001083029943 821114722 /nfs/dbraw/zinc/11/47/22/821114722.db2.gz NLAIMYPJUZUSMR-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CCOCC3)[C@H]2C1 ZINC001083029943 821114728 /nfs/dbraw/zinc/11/47/28/821114728.db2.gz NLAIMYPJUZUSMR-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3)[C@H]2C1 ZINC001083122698 821140229 /nfs/dbraw/zinc/14/02/29/821140229.db2.gz MRPUALNVMCMDQQ-JKSUJKDBSA-N 1 2 284.359 0.774 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3)[C@H]2C1 ZINC001083122698 821140234 /nfs/dbraw/zinc/14/02/34/821140234.db2.gz MRPUALNVMCMDQQ-JKSUJKDBSA-N 1 2 284.359 0.774 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(CC)n3)[C@H]2C1 ZINC001083106894 821142426 /nfs/dbraw/zinc/14/24/26/821142426.db2.gz AWODZWVTHDWZIV-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(CC)n3)[C@H]2C1 ZINC001083106894 821142431 /nfs/dbraw/zinc/14/24/31/821142431.db2.gz AWODZWVTHDWZIV-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC3(C)C)[C@H]2C1 ZINC001083169403 821153942 /nfs/dbraw/zinc/15/39/42/821153942.db2.gz QHDHDAWIBRDTDD-HZSPNIEDSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC3(C)C)[C@H]2C1 ZINC001083169403 821153947 /nfs/dbraw/zinc/15/39/47/821153947.db2.gz QHDHDAWIBRDTDD-HZSPNIEDSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001083957987 821173034 /nfs/dbraw/zinc/17/30/34/821173034.db2.gz URNSJRUYMMLSTE-OLZOCXBDSA-N 1 2 290.363 0.813 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001083957987 821173040 /nfs/dbraw/zinc/17/30/40/821173040.db2.gz URNSJRUYMMLSTE-OLZOCXBDSA-N 1 2 290.363 0.813 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084086950 821195684 /nfs/dbraw/zinc/19/56/84/821195684.db2.gz WYEKEZFEWFSEOY-NEPJUHHUSA-N 1 2 278.377 0.719 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084086950 821195688 /nfs/dbraw/zinc/19/56/88/821195688.db2.gz WYEKEZFEWFSEOY-NEPJUHHUSA-N 1 2 278.377 0.719 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@@H](O)C1 ZINC001084103293 821201520 /nfs/dbraw/zinc/20/15/20/821201520.db2.gz HJDSQQPLGFREAS-OLZOCXBDSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@@H](O)C1 ZINC001084103293 821201533 /nfs/dbraw/zinc/20/15/33/821201533.db2.gz HJDSQQPLGFREAS-OLZOCXBDSA-N 1 2 299.330 0.544 20 30 CCEDLO Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)cn1 ZINC001084236700 821250662 /nfs/dbraw/zinc/25/06/62/821250662.db2.gz ODSQLRMJUUDBIH-KCPJHIHWSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)cn1 ZINC001084236700 821250667 /nfs/dbraw/zinc/25/06/67/821250667.db2.gz ODSQLRMJUUDBIH-KCPJHIHWSA-N 1 2 299.378 0.977 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001099821955 821370535 /nfs/dbraw/zinc/37/05/35/821370535.db2.gz YTFADBATLQSOSO-OLZOCXBDSA-N 1 2 284.787 0.950 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001099821955 821370541 /nfs/dbraw/zinc/37/05/41/821370541.db2.gz YTFADBATLQSOSO-OLZOCXBDSA-N 1 2 284.787 0.950 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084775319 821386486 /nfs/dbraw/zinc/38/64/86/821386486.db2.gz BAYCXAFXFYEUEJ-DGCLKSJQSA-N 1 2 273.340 0.019 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833050 821406075 /nfs/dbraw/zinc/40/60/75/821406075.db2.gz MFDYQTSEGYSJGQ-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001084833050 821406082 /nfs/dbraw/zinc/40/60/82/821406082.db2.gz MFDYQTSEGYSJGQ-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001084833050 821406084 /nfs/dbraw/zinc/40/60/84/821406084.db2.gz MFDYQTSEGYSJGQ-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO C#CCN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833050 821406088 /nfs/dbraw/zinc/40/60/88/821406088.db2.gz MFDYQTSEGYSJGQ-ZIAGYGMSSA-N 1 2 272.352 0.357 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084962734 821442670 /nfs/dbraw/zinc/44/26/70/821442670.db2.gz FFQVNTHRCFCDFE-BHPKHCPMSA-N 1 2 299.378 0.960 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084962734 821442675 /nfs/dbraw/zinc/44/26/75/821442675.db2.gz FFQVNTHRCFCDFE-BHPKHCPMSA-N 1 2 299.378 0.960 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065681431 821578710 /nfs/dbraw/zinc/57/87/10/821578710.db2.gz UAYJSZHFNYDSJL-HNNXBMFYSA-N 1 2 291.395 0.555 20 30 CCEDLO C/C(=C/C(=O)NC[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000826671195 821668445 /nfs/dbraw/zinc/66/84/45/821668445.db2.gz HXCICGUXOCBAHW-SEVUFMINSA-N 1 2 251.330 0.541 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001085551797 821786386 /nfs/dbraw/zinc/78/63/86/821786386.db2.gz JSSVPSNJVOMGCV-ZDUSSCGKSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001085551797 821786387 /nfs/dbraw/zinc/78/63/87/821786387.db2.gz JSSVPSNJVOMGCV-ZDUSSCGKSA-N 1 2 256.309 0.666 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085557772 821790321 /nfs/dbraw/zinc/79/03/21/821790321.db2.gz ZPXUDSOGSVOAIR-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085557772 821790322 /nfs/dbraw/zinc/79/03/22/821790322.db2.gz ZPXUDSOGSVOAIR-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562242 821801091 /nfs/dbraw/zinc/80/10/91/821801091.db2.gz HEGLHMQAYIVCFV-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562242 821801098 /nfs/dbraw/zinc/80/10/98/821801098.db2.gz HEGLHMQAYIVCFV-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCOC2 ZINC001085650924 821870695 /nfs/dbraw/zinc/87/06/95/821870695.db2.gz FADRJWBCERSHCT-LBPRGKRZSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCOC2 ZINC001085650924 821870700 /nfs/dbraw/zinc/87/07/00/821870700.db2.gz FADRJWBCERSHCT-LBPRGKRZSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085666248 821885861 /nfs/dbraw/zinc/88/58/61/821885861.db2.gz BSQLOPDGPJEJHQ-LLVKDONJSA-N 1 2 276.340 0.588 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085666248 821885873 /nfs/dbraw/zinc/88/58/73/821885873.db2.gz BSQLOPDGPJEJHQ-LLVKDONJSA-N 1 2 276.340 0.588 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)nnn2C ZINC001085671166 821889250 /nfs/dbraw/zinc/88/92/50/821889250.db2.gz PWVBPAVRYCWZIQ-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)nnn2C ZINC001085671166 821889258 /nfs/dbraw/zinc/88/92/58/821889258.db2.gz PWVBPAVRYCWZIQ-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ncn(C)c2n1 ZINC001085817258 821967995 /nfs/dbraw/zinc/96/79/95/821967995.db2.gz UCSJVNALRJVSLE-GFCCVEGCSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ncn(C)c2n1 ZINC001085817258 821968005 /nfs/dbraw/zinc/96/80/05/821968005.db2.gz UCSJVNALRJVSLE-GFCCVEGCSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871975 821991112 /nfs/dbraw/zinc/99/11/12/821991112.db2.gz LDQUAQUKWODGES-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871975 821991118 /nfs/dbraw/zinc/99/11/18/821991118.db2.gz LDQUAQUKWODGES-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108306544 822345300 /nfs/dbraw/zinc/34/53/00/822345300.db2.gz KZQRRIHYWOUZON-CABCVRRESA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108306544 822345311 /nfs/dbraw/zinc/34/53/11/822345311.db2.gz KZQRRIHYWOUZON-CABCVRRESA-N 1 2 282.384 0.806 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114248140 837486295 /nfs/dbraw/zinc/48/62/95/837486295.db2.gz UJDXGPITONNSTE-IMRBUKKESA-N 1 2 290.392 0.744 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114248140 837486301 /nfs/dbraw/zinc/48/63/01/837486301.db2.gz UJDXGPITONNSTE-IMRBUKKESA-N 1 2 290.392 0.744 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(N)nc2)CC1 ZINC001183933156 844112454 /nfs/dbraw/zinc/11/24/54/844112454.db2.gz IKUGLUVJVDRUKA-UHFFFAOYSA-N 1 2 274.368 0.927 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC#N)cn2)C[NH2+]1 ZINC001169123482 836140051 /nfs/dbraw/zinc/14/00/51/836140051.db2.gz ILDJICJTIQWUTR-MNOVXSKESA-N 1 2 260.297 0.463 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)SC)CC2=O)C1 ZINC001108509295 836371310 /nfs/dbraw/zinc/37/13/10/836371310.db2.gz GVNJQLINLQDAGS-QWRGUYRKSA-N 1 2 297.424 0.325 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108519339 836403988 /nfs/dbraw/zinc/40/39/88/836403988.db2.gz DKKCVADMTJXELF-GFCCVEGCSA-N 1 2 277.368 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C=C\C3CC3)CC2=O)C1 ZINC001108530950 836428338 /nfs/dbraw/zinc/42/83/38/836428338.db2.gz WCBLVXQZBNINIW-SZZPACECSA-N 1 2 289.379 0.540 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718879 836515660 /nfs/dbraw/zinc/51/56/60/836515660.db2.gz ZMJAUAASDZAEGT-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109254726 836647168 /nfs/dbraw/zinc/64/71/68/836647168.db2.gz FXNQGGMQLVHKDX-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109255452 836647649 /nfs/dbraw/zinc/64/76/49/836647649.db2.gz ONOXGSOFNHDAQW-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109255452 836647653 /nfs/dbraw/zinc/64/76/53/836647653.db2.gz ONOXGSOFNHDAQW-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO CN(CCCNc1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506431 836690690 /nfs/dbraw/zinc/69/06/90/836690690.db2.gz HICRWBQUSGHCEM-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109592028 836701019 /nfs/dbraw/zinc/70/10/19/836701019.db2.gz FIPDEWCMZYSUMY-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109592028 836701027 /nfs/dbraw/zinc/70/10/27/836701027.db2.gz FIPDEWCMZYSUMY-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109608575 836704332 /nfs/dbraw/zinc/70/43/32/836704332.db2.gz VESLXBPXGMWSBO-VOAKCMCISA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109608575 836704338 /nfs/dbraw/zinc/70/43/38/836704338.db2.gz VESLXBPXGMWSBO-VOAKCMCISA-N 1 2 295.358 0.205 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001112620493 836826983 /nfs/dbraw/zinc/82/69/83/836826983.db2.gz CYIZCFZKCQWJME-UHFFFAOYSA-N 1 2 264.329 0.370 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001112620493 836826994 /nfs/dbraw/zinc/82/69/94/836826994.db2.gz CYIZCFZKCQWJME-UHFFFAOYSA-N 1 2 264.329 0.370 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001112690715 836867060 /nfs/dbraw/zinc/86/70/60/836867060.db2.gz PRIDOXYYWSBNJG-UHFFFAOYSA-N 1 2 293.367 0.246 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCC(=O)NCC)CC1 ZINC001112699020 836867283 /nfs/dbraw/zinc/86/72/83/836867283.db2.gz QNZIAAVZVQCJOF-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001112769692 836903802 /nfs/dbraw/zinc/90/38/02/836903802.db2.gz STKHEACCROCKNY-UHFFFAOYSA-N 1 2 288.351 0.847 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112801545 836920992 /nfs/dbraw/zinc/92/09/92/836920992.db2.gz WIXKVWUPJAUHFY-UHFFFAOYSA-N 1 2 274.368 0.831 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112896061 836957928 /nfs/dbraw/zinc/95/79/28/836957928.db2.gz DWSWRGYBPQEKRR-UHFFFAOYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC001113062148 837013133 /nfs/dbraw/zinc/01/31/33/837013133.db2.gz KKGBMZNKEJMIFJ-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccncc1C#N ZINC001113082337 837018256 /nfs/dbraw/zinc/01/82/56/837018256.db2.gz RADCEOXLGLBUSN-RYUDHWBXSA-N 1 2 298.350 0.577 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCCOC)CC1 ZINC001113396801 837108833 /nfs/dbraw/zinc/10/88/33/837108833.db2.gz SGYSALBLTXVKBI-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(NC(C)=O)CCCC2)CC1 ZINC001113424731 837114276 /nfs/dbraw/zinc/11/42/76/837114276.db2.gz KNAYNDDHFHRXBK-UHFFFAOYSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncccn2)CC1 ZINC001113448923 837118869 /nfs/dbraw/zinc/11/88/69/837118869.db2.gz MTYBVZAAFFQQHX-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2ccncc2)CC1 ZINC001113456844 837119906 /nfs/dbraw/zinc/11/99/06/837119906.db2.gz QWVFUAVCTNDRFR-UHFFFAOYSA-N 1 2 275.352 0.928 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC001113718459 837204562 /nfs/dbraw/zinc/20/45/62/837204562.db2.gz GQYVFYATUQOSMJ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113725260 837206847 /nfs/dbraw/zinc/20/68/47/837206847.db2.gz QXRFDBFVXGEJPI-NEPJUHHUSA-N 1 2 290.367 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCCC)NC(N)=O)CC1 ZINC001113726016 837207839 /nfs/dbraw/zinc/20/78/39/837207839.db2.gz SEIGEIGHFRAASL-GFCCVEGCSA-N 1 2 282.388 0.544 20 30 CCEDLO CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131743168 838200243 /nfs/dbraw/zinc/20/02/43/838200243.db2.gz LBYCWVGDDGJTLF-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131743168 838200253 /nfs/dbraw/zinc/20/02/53/838200253.db2.gz LBYCWVGDDGJTLF-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131898862 838261625 /nfs/dbraw/zinc/26/16/25/838261625.db2.gz GJOUJHINSZZRMM-QWHCGFSZSA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131898862 838261633 /nfs/dbraw/zinc/26/16/33/838261633.db2.gz GJOUJHINSZZRMM-QWHCGFSZSA-N 1 2 292.383 0.561 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132022285 838293001 /nfs/dbraw/zinc/29/30/01/838293001.db2.gz XSQULXQOHLXKLL-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132022285 838293005 /nfs/dbraw/zinc/29/30/05/838293005.db2.gz XSQULXQOHLXKLL-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132653798 838459140 /nfs/dbraw/zinc/45/91/40/838459140.db2.gz SMVIQAPRCNWZFO-SNVBAGLBSA-N 1 2 252.318 0.878 20 30 CCEDLO N#Cc1cncc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001110356836 844341360 /nfs/dbraw/zinc/34/13/60/844341360.db2.gz QZYJQSMMOHRNKQ-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO N#Cc1nccnc1NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001110356738 844341397 /nfs/dbraw/zinc/34/13/97/844341397.db2.gz MERZUQURJWAEAN-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO CN(CCC[N@H+](C)Cc1cnon1)C(=O)C#CC1CC1 ZINC001273507439 844451809 /nfs/dbraw/zinc/45/18/09/844451809.db2.gz AGNYRMQYBGGYAY-UHFFFAOYSA-N 1 2 276.340 0.763 20 30 CCEDLO CN(CCC[N@@H+](C)Cc1cnon1)C(=O)C#CC1CC1 ZINC001273507439 844451810 /nfs/dbraw/zinc/45/18/10/844451810.db2.gz AGNYRMQYBGGYAY-UHFFFAOYSA-N 1 2 276.340 0.763 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090660712 839711030 /nfs/dbraw/zinc/71/10/30/839711030.db2.gz UZXCVYJGSOXSKK-GHMZBOCLSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090660712 839711040 /nfs/dbraw/zinc/71/10/40/839711040.db2.gz UZXCVYJGSOXSKK-GHMZBOCLSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090688494 839737136 /nfs/dbraw/zinc/73/71/36/839737136.db2.gz DHKUFUQDRVXSHE-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090688494 839737142 /nfs/dbraw/zinc/73/71/42/839737142.db2.gz DHKUFUQDRVXSHE-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(C)=O)C2)nn1 ZINC001185857164 844469500 /nfs/dbraw/zinc/46/95/00/844469500.db2.gz ZVEWAWOVZLFSEF-CYBMUJFWSA-N 1 2 261.329 0.184 20 30 CCEDLO C=C(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC001144215366 839977927 /nfs/dbraw/zinc/97/79/27/839977927.db2.gz OVNSHYZRSMRFEX-QMMMGPOBSA-N 1 2 266.263 0.942 20 30 CCEDLO C=C(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC001144215366 839977913 /nfs/dbraw/zinc/97/79/13/839977913.db2.gz OVNSHYZRSMRFEX-QMMMGPOBSA-N 1 2 266.263 0.942 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001146891158 840406130 /nfs/dbraw/zinc/40/61/30/840406130.db2.gz QIUDFQLNHXLZEM-CHWSQXEVSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001146891158 840406136 /nfs/dbraw/zinc/40/61/36/840406136.db2.gz QIUDFQLNHXLZEM-CHWSQXEVSA-N 1 2 298.383 0.721 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744464 841221726 /nfs/dbraw/zinc/22/17/26/841221726.db2.gz ABRBOSDVJYUZNA-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744464 841221741 /nfs/dbraw/zinc/22/17/41/841221741.db2.gz ABRBOSDVJYUZNA-ZJUUUORDSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744463 841221835 /nfs/dbraw/zinc/22/18/35/841221835.db2.gz ABRBOSDVJYUZNA-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744463 841221845 /nfs/dbraw/zinc/22/18/45/841221845.db2.gz ABRBOSDVJYUZNA-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001093533065 841316176 /nfs/dbraw/zinc/31/61/76/841316176.db2.gz VKJPACYXGYTFHB-OAHLLOKOSA-N 1 2 296.411 0.881 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036866073 841423727 /nfs/dbraw/zinc/42/37/27/841423727.db2.gz YLLUEWAIMZNXJI-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@H]21 ZINC001036866073 841423731 /nfs/dbraw/zinc/42/37/31/841423731.db2.gz YLLUEWAIMZNXJI-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC001094287928 841599205 /nfs/dbraw/zinc/59/92/05/841599205.db2.gz WHMWXKYKAJKQER-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036907434 841682722 /nfs/dbraw/zinc/68/27/22/841682722.db2.gz WSWGBSMZCYEYGR-STQMWFEESA-N 1 2 273.340 0.329 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3=CCCC3)CC2=O)C1 ZINC001094720733 841700696 /nfs/dbraw/zinc/70/06/96/841700696.db2.gz PQVQZFBREQQMDT-ZDUSSCGKSA-N 1 2 289.379 0.684 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC1=O ZINC001171705475 841751534 /nfs/dbraw/zinc/75/15/34/841751534.db2.gz VNBOIVAJNNBFAY-MNOVXSKESA-N 1 2 294.355 0.320 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001094856102 841779735 /nfs/dbraw/zinc/77/97/35/841779735.db2.gz OLWNBDUCTDSIRB-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001094856102 841779740 /nfs/dbraw/zinc/77/97/40/841779740.db2.gz OLWNBDUCTDSIRB-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO C=CC[C@@](C)([NH2+]C1C[C@@H]2COC[C@H](C1)N2C)C(=O)OC ZINC001172135597 841841133 /nfs/dbraw/zinc/84/11/33/841841133.db2.gz WHKRGHYUZCKXHA-VYHDIPPYSA-N 1 2 282.384 0.945 20 30 CCEDLO C#Cc1cc(Nc2ccnc(C(=O)NC)c2)cc[nH+]1 ZINC001175408454 842246506 /nfs/dbraw/zinc/24/65/06/842246506.db2.gz QXSLTCDONTWKJU-UHFFFAOYSA-N 1 2 252.277 0.983 20 30 CCEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(CCO)c1 ZINC001176477099 842376841 /nfs/dbraw/zinc/37/68/41/842376841.db2.gz VYBNPXIXDLGBSH-UHFFFAOYSA-N 1 2 261.285 0.515 20 30 CCEDLO COc1ccc(C(=NC(=O)CCn2cc[nH+]c2)NO)nc1 ZINC001176883257 842439040 /nfs/dbraw/zinc/43/90/40/842439040.db2.gz GWZAJLMBFYTVOG-UHFFFAOYSA-N 1 2 289.295 0.629 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)CCn1cc[nH+]c1 ZINC001176883928 842441996 /nfs/dbraw/zinc/44/19/96/842441996.db2.gz RHJVPJOQBCGARV-UHFFFAOYSA-N 1 2 288.267 0.595 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177025496 842487754 /nfs/dbraw/zinc/48/77/54/842487754.db2.gz RGVIWDDQUURQRK-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177025496 842487758 /nfs/dbraw/zinc/48/77/58/842487758.db2.gz RGVIWDDQUURQRK-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO N#Cc1cc(CC(=O)NCCn2cc[nH+]c2)ccn1 ZINC001177663044 842646729 /nfs/dbraw/zinc/64/67/29/842646729.db2.gz VOJNOZQPWRFPBE-UHFFFAOYSA-N 1 2 255.281 0.509 20 30 CCEDLO O=C(NCC[NH2+]Cc1ccon1)C1N=CC=CC1=O ZINC001177810729 842686054 /nfs/dbraw/zinc/68/60/54/842686054.db2.gz PKWWPSCPAMKAJI-QXMHVHEDSA-N 1 2 262.269 0.291 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927864 842716577 /nfs/dbraw/zinc/71/65/77/842716577.db2.gz ZXWFSBQYVCTATB-MRVPVSSYSA-N 1 2 288.267 0.765 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2C)c(C#C)n1 ZINC001178691919 842899575 /nfs/dbraw/zinc/89/95/75/842899575.db2.gz SRGSIPXOQSGFNT-ZDUSSCGKSA-N 1 2 268.320 0.862 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C#C)n1 ZINC001178691919 842899582 /nfs/dbraw/zinc/89/95/82/842899582.db2.gz SRGSIPXOQSGFNT-ZDUSSCGKSA-N 1 2 268.320 0.862 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nn(C)cc2O)CC1 ZINC001179920337 843089126 /nfs/dbraw/zinc/08/91/26/843089126.db2.gz HGLDJXJQNJDQRG-NSHDSACASA-N 1 2 290.367 0.648 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2=NN(C)CC2=O)CC1 ZINC001179920337 843089134 /nfs/dbraw/zinc/08/91/34/843089134.db2.gz HGLDJXJQNJDQRG-NSHDSACASA-N 1 2 290.367 0.648 20 30 CCEDLO C=CCSCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001180562484 843209156 /nfs/dbraw/zinc/20/91/56/843209156.db2.gz VVZRVYDVRFZECE-NSHDSACASA-N 1 2 297.380 0.919 20 30 CCEDLO C=CCSCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001180562484 843209162 /nfs/dbraw/zinc/20/91/62/843209162.db2.gz VVZRVYDVRFZECE-NSHDSACASA-N 1 2 297.380 0.919 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N(O)C(=N)c2ccccc2N)C1 ZINC001180760934 843285829 /nfs/dbraw/zinc/28/58/29/843285829.db2.gz IGXFGQJRVABKIS-LLVKDONJSA-N 1 2 278.312 0.143 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N(O)C(=N)c2ccccc2N)C1 ZINC001180760934 843285844 /nfs/dbraw/zinc/28/58/44/843285844.db2.gz IGXFGQJRVABKIS-LLVKDONJSA-N 1 2 278.312 0.143 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273469882 843434929 /nfs/dbraw/zinc/43/49/29/843434929.db2.gz QUGVXXUSXFBJBH-QWHCGFSZSA-N 1 2 272.295 0.231 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273469882 843434939 /nfs/dbraw/zinc/43/49/39/843434939.db2.gz QUGVXXUSXFBJBH-QWHCGFSZSA-N 1 2 272.295 0.231 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@]1(C)CNCC#N ZINC001181279502 843442511 /nfs/dbraw/zinc/44/25/11/843442511.db2.gz SDHQHOWNHYNZBV-IUODEOHRSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001181617967 843555851 /nfs/dbraw/zinc/55/58/51/843555851.db2.gz IWJDNFYZKMJFTP-SNVBAGLBSA-N 1 2 282.369 0.431 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccccc1C#N ZINC001181805857 843620890 /nfs/dbraw/zinc/62/08/90/843620890.db2.gz PAFAYGCWAUFBAQ-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccccc1C#N ZINC001181805857 843620896 /nfs/dbraw/zinc/62/08/96/843620896.db2.gz PAFAYGCWAUFBAQ-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)NCC(=O)OCC)CC1 ZINC001189886787 845275914 /nfs/dbraw/zinc/27/59/14/845275914.db2.gz GLXCPOSJRSETHI-UHFFFAOYSA-N 1 2 255.318 0.063 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cc(C#N)ccc1F ZINC001190636871 845452209 /nfs/dbraw/zinc/45/22/09/845452209.db2.gz XEORSKFMVOKUKH-QWRGUYRKSA-N 1 2 295.339 0.774 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cc(C#N)ccc1F ZINC001190636871 845452214 /nfs/dbraw/zinc/45/22/14/845452214.db2.gz XEORSKFMVOKUKH-QWRGUYRKSA-N 1 2 295.339 0.774 20 30 CCEDLO N#Cc1nc(F)ccc1OS(=O)(=O)CCn1cc[nH+]c1 ZINC001190857521 845525172 /nfs/dbraw/zinc/52/51/72/845525172.db2.gz LVOWVFHAHIUPBC-UHFFFAOYSA-N 1 2 296.283 0.698 20 30 CCEDLO C#Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001191120785 845586931 /nfs/dbraw/zinc/58/69/31/845586931.db2.gz XBYJCRZOZDBMSM-AWEZNQCLSA-N 1 2 286.331 0.597 20 30 CCEDLO C#Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001191120785 845586938 /nfs/dbraw/zinc/58/69/38/845586938.db2.gz XBYJCRZOZDBMSM-AWEZNQCLSA-N 1 2 286.331 0.597 20 30 CCEDLO C=CCOCCCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001273613925 845596757 /nfs/dbraw/zinc/59/67/57/845596757.db2.gz JNFSJXYSMBLSMQ-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192805222 845912550 /nfs/dbraw/zinc/91/25/50/845912550.db2.gz VETVFRZCXWLWQR-JKNNBXRXSA-N 1 2 270.760 0.560 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192805222 845912555 /nfs/dbraw/zinc/91/25/55/845912555.db2.gz VETVFRZCXWLWQR-JKNNBXRXSA-N 1 2 270.760 0.560 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C(C)C)C1 ZINC001192851958 845922386 /nfs/dbraw/zinc/92/23/86/845922386.db2.gz ANKZPEFJFSALKM-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C(C)C)C1 ZINC001192851958 845922395 /nfs/dbraw/zinc/92/23/95/845922395.db2.gz ANKZPEFJFSALKM-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)CC#N)n2c1 ZINC001192988950 845947653 /nfs/dbraw/zinc/94/76/53/845947653.db2.gz VIZXKUJGCLZSOR-UHFFFAOYSA-N 1 2 264.310 0.586 20 30 CCEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122509 845987740 /nfs/dbraw/zinc/98/77/40/845987740.db2.gz LUUZDZYGXWTXCX-IWSPIJDZSA-N 1 2 284.253 0.624 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122509 845987745 /nfs/dbraw/zinc/98/77/45/845987745.db2.gz LUUZDZYGXWTXCX-IWSPIJDZSA-N 1 2 284.253 0.624 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC([NH+]2CCC(F)CC2)C1 ZINC001193128350 845990188 /nfs/dbraw/zinc/99/01/88/845990188.db2.gz FLXYIDITESPNIL-SECBINFHSA-N 1 2 275.349 0.346 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001193095472 845992839 /nfs/dbraw/zinc/99/28/39/845992839.db2.gz XOQWZZJWESLJNO-QMMMGPOBSA-N 1 2 250.283 0.988 20 30 CCEDLO N#Cc1cccc(C(=O)n2ccc(C[NH3+])cc2=N)c1O ZINC001193658048 846140478 /nfs/dbraw/zinc/14/04/78/846140478.db2.gz QZHKRMFPOOVKOI-UHFFFAOYSA-N 1 2 268.276 0.692 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194605785 846333955 /nfs/dbraw/zinc/33/39/55/846333955.db2.gz AUBTXOSEDLEQJX-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(F)F)CC1 ZINC001194605785 846333964 /nfs/dbraw/zinc/33/39/64/846333964.db2.gz AUBTXOSEDLEQJX-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195322107 846493485 /nfs/dbraw/zinc/49/34/85/846493485.db2.gz UAXYHNFELAELPY-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195322107 846493491 /nfs/dbraw/zinc/49/34/91/846493491.db2.gz UAXYHNFELAELPY-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001273695617 846496027 /nfs/dbraw/zinc/49/60/27/846496027.db2.gz GNJFAFOKHIXABO-KGLIPLIRSA-N 1 2 294.395 0.640 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](CC(=O)N(C)CC)CC1 ZINC001195314894 846503739 /nfs/dbraw/zinc/50/37/39/846503739.db2.gz VQVOGDOLTKFSDC-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](CC(=O)N(C)CC)CC1 ZINC001195314894 846503747 /nfs/dbraw/zinc/50/37/47/846503747.db2.gz VQVOGDOLTKFSDC-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001195318474 846505813 /nfs/dbraw/zinc/50/58/13/846505813.db2.gz JIDLFBISSRVXFT-FMKPAKJESA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001195318474 846505823 /nfs/dbraw/zinc/50/58/23/846505823.db2.gz JIDLFBISSRVXFT-FMKPAKJESA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ocnc2C)CC1 ZINC001195418825 846528213 /nfs/dbraw/zinc/52/82/13/846528213.db2.gz LXTDDZPGUIBCOQ-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ocnc2C)CC1 ZINC001195418825 846528219 /nfs/dbraw/zinc/52/82/19/846528219.db2.gz LXTDDZPGUIBCOQ-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO CC/C(C)=C\C(=O)N1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001195761462 846611982 /nfs/dbraw/zinc/61/19/82/846611982.db2.gz MIEZTCQMSJURCO-QBFSEMIESA-N 1 2 292.383 0.517 20 30 CCEDLO CC/C(C)=C\C(=O)N1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001195761462 846611987 /nfs/dbraw/zinc/61/19/87/846611987.db2.gz MIEZTCQMSJURCO-QBFSEMIESA-N 1 2 292.383 0.517 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001195775276 846622401 /nfs/dbraw/zinc/62/24/01/846622401.db2.gz UDWAYMFGVROVBK-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001195775276 846622410 /nfs/dbraw/zinc/62/24/10/846622410.db2.gz UDWAYMFGVROVBK-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001195981053 846657180 /nfs/dbraw/zinc/65/71/80/846657180.db2.gz MQEKYEQVMNUBJB-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001195981053 846657170 /nfs/dbraw/zinc/65/71/70/846657170.db2.gz MQEKYEQVMNUBJB-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001195990931 846671058 /nfs/dbraw/zinc/67/10/58/846671058.db2.gz QZGNHYLDHYSSDA-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001195990931 846671059 /nfs/dbraw/zinc/67/10/59/846671059.db2.gz QZGNHYLDHYSSDA-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CCC1 ZINC001196107051 846687301 /nfs/dbraw/zinc/68/73/01/846687301.db2.gz GHZHHXJKGJBOTM-ZDUSSCGKSA-N 1 2 291.395 0.588 20 30 CCEDLO C#CCC1(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CCC1 ZINC001196107051 846687307 /nfs/dbraw/zinc/68/73/07/846687307.db2.gz GHZHHXJKGJBOTM-ZDUSSCGKSA-N 1 2 291.395 0.588 20 30 CCEDLO CC[C@@H](F)C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001196761643 846794660 /nfs/dbraw/zinc/79/46/60/846794660.db2.gz BZBJDMRLIMZEMM-CYBMUJFWSA-N 1 2 270.348 0.919 20 30 CCEDLO CC[C@@H](F)C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001196761643 846794669 /nfs/dbraw/zinc/79/46/69/846794669.db2.gz BZBJDMRLIMZEMM-CYBMUJFWSA-N 1 2 270.348 0.919 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196879962 846808419 /nfs/dbraw/zinc/80/84/19/846808419.db2.gz GLHKTVKPGVUZAP-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196879962 846808426 /nfs/dbraw/zinc/80/84/26/846808426.db2.gz GLHKTVKPGVUZAP-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196855258 846810920 /nfs/dbraw/zinc/81/09/20/846810920.db2.gz ZKLLEUFIGJMZPN-OLZOCXBDSA-N 1 2 281.400 0.725 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196855258 846810925 /nfs/dbraw/zinc/81/09/25/846810925.db2.gz ZKLLEUFIGJMZPN-OLZOCXBDSA-N 1 2 281.400 0.725 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001197852380 846981507 /nfs/dbraw/zinc/98/15/07/846981507.db2.gz WYOHLDPFAMPLFS-GMTAPVOTSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001197852380 846981514 /nfs/dbraw/zinc/98/15/14/846981514.db2.gz WYOHLDPFAMPLFS-GMTAPVOTSA-N 1 2 292.301 0.760 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770644 847157117 /nfs/dbraw/zinc/15/71/17/847157117.db2.gz QTYFGBKZUDLHNV-CQSZACIVSA-N 1 2 276.340 0.988 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770644 847157126 /nfs/dbraw/zinc/15/71/26/847157126.db2.gz QTYFGBKZUDLHNV-CQSZACIVSA-N 1 2 276.340 0.988 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001251833035 847188830 /nfs/dbraw/zinc/18/88/30/847188830.db2.gz XVOSINDLKKETRM-MXWKQRLJSA-N 1 2 299.264 0.334 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001251833035 847188833 /nfs/dbraw/zinc/18/88/33/847188833.db2.gz XVOSINDLKKETRM-MXWKQRLJSA-N 1 2 299.264 0.334 20 30 CCEDLO C=CCN1C[C@@]2(F)CN(CCn3cc[nH+]c3)C[C@@]2(F)C1=O ZINC001273785529 847420548 /nfs/dbraw/zinc/42/05/48/847420548.db2.gz UOIOOVDUMVLKFY-UONOGXRCSA-N 1 2 296.321 0.644 20 30 CCEDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1C#N ZINC001201336497 847771481 /nfs/dbraw/zinc/77/14/81/847771481.db2.gz IRYHSYFWMNMMBD-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110601313 847916572 /nfs/dbraw/zinc/91/65/72/847916572.db2.gz SQKVKEDOHIOGLQ-MXWKQRLJSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110601313 847916576 /nfs/dbraw/zinc/91/65/76/847916576.db2.gz SQKVKEDOHIOGLQ-MXWKQRLJSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCc1[nH]c[nH+]c1C ZINC001137139905 848140802 /nfs/dbraw/zinc/14/08/02/848140802.db2.gz BVWKLXARQVSYGH-UHFFFAOYSA-N 1 2 251.286 0.844 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274039924 848314931 /nfs/dbraw/zinc/31/49/31/848314931.db2.gz BZAFKSFMQXAXEN-UHFFFAOYSA-N 1 2 263.341 0.779 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274621317 848525585 /nfs/dbraw/zinc/52/55/85/848525585.db2.gz RMWXABFKAMIOFP-IJLUTSLNSA-N 1 2 260.284 0.128 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274621317 848525582 /nfs/dbraw/zinc/52/55/82/848525582.db2.gz RMWXABFKAMIOFP-IJLUTSLNSA-N 1 2 260.284 0.128 20 30 CCEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)cc1C#N ZINC001275212282 848667458 /nfs/dbraw/zinc/66/74/58/848667458.db2.gz OLXGCJNSFRIBON-UHFFFAOYSA-N 1 2 296.378 0.938 20 30 CCEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1C#N ZINC001275212282 848667459 /nfs/dbraw/zinc/66/74/59/848667459.db2.gz OLXGCJNSFRIBON-UHFFFAOYSA-N 1 2 296.378 0.938 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001275558545 848761549 /nfs/dbraw/zinc/76/15/49/848761549.db2.gz DKEPECFFMSBCQK-QWHCGFSZSA-N 1 2 293.367 0.958 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001275558545 848761552 /nfs/dbraw/zinc/76/15/52/848761552.db2.gz DKEPECFFMSBCQK-QWHCGFSZSA-N 1 2 293.367 0.958 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)C(F)(F)F)C1 ZINC001276076105 848917439 /nfs/dbraw/zinc/91/74/39/848917439.db2.gz SPKICSYWRGLYFX-JTQLQIEISA-N 1 2 292.301 0.761 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001095582770 848992705 /nfs/dbraw/zinc/99/27/05/848992705.db2.gz JURSVBLISBWHJQ-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001095617826 849000107 /nfs/dbraw/zinc/00/01/07/849000107.db2.gz SIFLSJKSLXXFGO-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110888453 849014240 /nfs/dbraw/zinc/01/42/40/849014240.db2.gz FIPDEWCMZYSUMY-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110888453 849014243 /nfs/dbraw/zinc/01/42/43/849014243.db2.gz FIPDEWCMZYSUMY-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1cnc(C#N)cn1 ZINC001095746118 849132231 /nfs/dbraw/zinc/13/22/31/849132231.db2.gz IPORHMJLHQSSTB-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001038612292 849498063 /nfs/dbraw/zinc/49/80/63/849498063.db2.gz SGLIZRMXFUQPET-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001038612292 849498070 /nfs/dbraw/zinc/49/80/70/849498070.db2.gz SGLIZRMXFUQPET-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001276377021 849796698 /nfs/dbraw/zinc/79/66/98/849796698.db2.gz RFIOFNQONAFQQV-JTQLQIEISA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038262914 849832086 /nfs/dbraw/zinc/83/20/86/849832086.db2.gz PGVVCSVVIXHFGF-STQMWFEESA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038262914 849832087 /nfs/dbraw/zinc/83/20/87/849832087.db2.gz PGVVCSVVIXHFGF-STQMWFEESA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038394202 849876542 /nfs/dbraw/zinc/87/65/42/849876542.db2.gz IXAQJZCDZXEFOR-JTQLQIEISA-N 1 2 262.313 0.246 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038394202 849876549 /nfs/dbraw/zinc/87/65/49/849876549.db2.gz IXAQJZCDZXEFOR-JTQLQIEISA-N 1 2 262.313 0.246 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001038434327 849896822 /nfs/dbraw/zinc/89/68/22/849896822.db2.gz WSVZVBZQZRYQMG-CHWSQXEVSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001038434327 849896825 /nfs/dbraw/zinc/89/68/25/849896825.db2.gz WSVZVBZQZRYQMG-CHWSQXEVSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001038454805 849908708 /nfs/dbraw/zinc/90/87/08/849908708.db2.gz OAUBFWKHMBYKEH-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001038454805 849908713 /nfs/dbraw/zinc/90/87/13/849908713.db2.gz OAUBFWKHMBYKEH-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038489661 849919676 /nfs/dbraw/zinc/91/96/76/849919676.db2.gz RKPCIZVFXMOXKZ-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038489661 849919684 /nfs/dbraw/zinc/91/96/84/849919684.db2.gz RKPCIZVFXMOXKZ-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001038559221 849942182 /nfs/dbraw/zinc/94/21/82/849942182.db2.gz WPTMKJUCLXLQMY-NWDGAFQWSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001038559221 849942193 /nfs/dbraw/zinc/94/21/93/849942193.db2.gz WPTMKJUCLXLQMY-NWDGAFQWSA-N 1 2 288.351 0.351 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csnn1 ZINC001038558121 849942245 /nfs/dbraw/zinc/94/22/45/849942245.db2.gz TYXDNACGRLNWBI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csnn1 ZINC001038558121 849942250 /nfs/dbraw/zinc/94/22/50/849942250.db2.gz TYXDNACGRLNWBI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001038720182 849996335 /nfs/dbraw/zinc/99/63/35/849996335.db2.gz LCOSUTQEXFDGLH-AGIUHOORSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001038720182 849996336 /nfs/dbraw/zinc/99/63/36/849996336.db2.gz LCOSUTQEXFDGLH-AGIUHOORSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038763876 850008674 /nfs/dbraw/zinc/00/86/74/850008674.db2.gz IWXAJDHTXVXFMX-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038763876 850008683 /nfs/dbraw/zinc/00/86/83/850008683.db2.gz IWXAJDHTXVXFMX-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001038772649 850012241 /nfs/dbraw/zinc/01/22/41/850012241.db2.gz CCYNYPKYCPXMER-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001038772649 850012242 /nfs/dbraw/zinc/01/22/42/850012242.db2.gz CCYNYPKYCPXMER-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038831549 850034142 /nfs/dbraw/zinc/03/41/42/850034142.db2.gz PSZJKPXWJUGGMO-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038831549 850034149 /nfs/dbraw/zinc/03/41/49/850034149.db2.gz PSZJKPXWJUGGMO-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(C)(=O)=O ZINC001039337025 850174690 /nfs/dbraw/zinc/17/46/90/850174690.db2.gz YBRKYCUXSUYRCT-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(C)(=O)=O ZINC001039337025 850174697 /nfs/dbraw/zinc/17/46/97/850174697.db2.gz YBRKYCUXSUYRCT-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO N#CCN1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040894416 850326668 /nfs/dbraw/zinc/32/66/68/850326668.db2.gz JTAWBKOSJZNOOZ-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(CC#N)[C@H]2C1 ZINC001042325121 850615981 /nfs/dbraw/zinc/61/59/81/850615981.db2.gz DIGQYEPMLKLTMM-JSGCOSHPSA-N 1 2 287.367 0.707 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001042828830 850765269 /nfs/dbraw/zinc/76/52/69/850765269.db2.gz UOHFTUACQZFMQX-GFCCVEGCSA-N 1 2 279.384 0.572 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001043028216 850800529 /nfs/dbraw/zinc/80/05/29/850800529.db2.gz UJEICJJLCUUVOB-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001043065712 850806635 /nfs/dbraw/zinc/80/66/35/850806635.db2.gz QVACMQXBBWSJKU-HNNXBMFYSA-N 1 2 279.384 0.621 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123237 850818229 /nfs/dbraw/zinc/81/82/29/850818229.db2.gz DHNNSIKLSFUWNP-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001043186533 850828498 /nfs/dbraw/zinc/82/84/98/850828498.db2.gz QHLCUXBEKFMHSH-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001043657094 850918912 /nfs/dbraw/zinc/91/89/12/850918912.db2.gz DGBPXZHWFWRIHL-UHFFFAOYSA-N 1 2 291.351 0.640 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001043788287 850936980 /nfs/dbraw/zinc/93/69/80/850936980.db2.gz LPQWYPLSQOIXTI-DGCLKSJQSA-N 1 2 252.358 0.988 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001044013645 850985625 /nfs/dbraw/zinc/98/56/25/850985625.db2.gz UVCSJQXJDJFLKV-CYBMUJFWSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nnnc2C(C)C)C1 ZINC001044024636 850987938 /nfs/dbraw/zinc/98/79/38/850987938.db2.gz SFNRNOSNIDJRSO-UHFFFAOYSA-N 1 2 278.360 0.125 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001044089028 851006777 /nfs/dbraw/zinc/00/67/77/851006777.db2.gz CEHZYTYGNYZFLV-UHFFFAOYSA-N 1 2 290.367 0.189 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001044091399 851007462 /nfs/dbraw/zinc/00/74/62/851007462.db2.gz DNJIXSMJTPCSNA-UHFFFAOYSA-N 1 2 276.340 0.446 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C(C)C)nn2)C1 ZINC001044106058 851013145 /nfs/dbraw/zinc/01/31/45/851013145.db2.gz AEHROKQTJJLEIE-UHFFFAOYSA-N 1 2 275.356 0.639 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001044111937 851014429 /nfs/dbraw/zinc/01/44/29/851014429.db2.gz JPUGWYUGYYHMLA-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001044233257 851048442 /nfs/dbraw/zinc/04/84/42/851048442.db2.gz VGZCXPJKVUCLSA-UHFFFAOYSA-N 1 2 262.357 0.979 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ncc(C#N)s1 ZINC001253707235 851068533 /nfs/dbraw/zinc/06/85/33/851068533.db2.gz XAJRAQRUYFJVPV-VIFPVBQESA-N 1 2 283.353 0.807 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001044333920 851080558 /nfs/dbraw/zinc/08/05/58/851080558.db2.gz ZECQYYLBZZVHSZ-LLVKDONJSA-N 1 2 275.356 0.169 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001044343527 851082546 /nfs/dbraw/zinc/08/25/46/851082546.db2.gz PHSDBRJSCYCTDW-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001044344934 851083431 /nfs/dbraw/zinc/08/34/31/851083431.db2.gz OSPNVRFOBDFKEG-CQSZACIVSA-N 1 2 277.368 0.163 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)C#N)o1 ZINC001044962729 851195230 /nfs/dbraw/zinc/19/52/30/851195230.db2.gz PLKDLZPOFRKZAY-MNOVXSKESA-N 1 2 291.355 0.872 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1csnn1 ZINC001044962953 851197618 /nfs/dbraw/zinc/19/76/18/851197618.db2.gz SRMQTCBNLLNBRH-KOLCDFICSA-N 1 2 279.369 0.778 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001045030732 851205131 /nfs/dbraw/zinc/20/51/31/851205131.db2.gz SNZUFFRZVGTURH-ZDUSSCGKSA-N 1 2 288.351 0.872 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001045645477 851291597 /nfs/dbraw/zinc/29/15/97/851291597.db2.gz UHDWWXQDGXDZLT-GFCCVEGCSA-N 1 2 298.408 0.168 20 30 CCEDLO C/C=C(/C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046021082 851354297 /nfs/dbraw/zinc/35/42/97/851354297.db2.gz ZWQYMJFGGYIQJZ-SUSILRQXSA-N 1 2 276.384 0.695 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC001046062942 851358960 /nfs/dbraw/zinc/35/89/60/851358960.db2.gz XAMPWPBBVKNZFG-ZDUSSCGKSA-N 1 2 294.374 0.478 20 30 CCEDLO CC[C@@H](F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046053951 851360501 /nfs/dbraw/zinc/36/05/01/851360501.db2.gz HSQJVXJBKPQVJG-QWHCGFSZSA-N 1 2 282.363 0.477 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#N)C2 ZINC001047191141 851680497 /nfs/dbraw/zinc/68/04/97/851680497.db2.gz PAHXGYZNEHZKRO-XQQFMLRXSA-N 1 2 287.367 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001047300754 851704021 /nfs/dbraw/zinc/70/40/21/851704021.db2.gz LMCHUAOBHICJAF-KBPBESRZSA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001047300754 851704028 /nfs/dbraw/zinc/70/40/28/851704028.db2.gz LMCHUAOBHICJAF-KBPBESRZSA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001047396557 851750476 /nfs/dbraw/zinc/75/04/76/851750476.db2.gz NFVIXQRVYBJALN-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001047396557 851750480 /nfs/dbraw/zinc/75/04/80/851750480.db2.gz NFVIXQRVYBJALN-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001047423976 851758182 /nfs/dbraw/zinc/75/81/82/851758182.db2.gz OMMHVSXEDFHHPO-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001047423976 851758185 /nfs/dbraw/zinc/75/81/85/851758185.db2.gz OMMHVSXEDFHHPO-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001047582715 851826444 /nfs/dbraw/zinc/82/64/44/851826444.db2.gz CQRMHSWFBRBTJP-STQMWFEESA-N 1 2 288.351 0.037 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001047582715 851826449 /nfs/dbraw/zinc/82/64/49/851826449.db2.gz CQRMHSWFBRBTJP-STQMWFEESA-N 1 2 288.351 0.037 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001047621426 851838382 /nfs/dbraw/zinc/83/83/82/851838382.db2.gz OHVKMAAXTOLPGY-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001047621426 851838383 /nfs/dbraw/zinc/83/83/83/851838383.db2.gz OHVKMAAXTOLPGY-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096440854 852105375 /nfs/dbraw/zinc/10/53/75/852105375.db2.gz ASIWAIYHKDKRJL-CYBMUJFWSA-N 1 2 288.351 0.520 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359757 852242942 /nfs/dbraw/zinc/24/29/42/852242942.db2.gz LPEYEZZLWLOTPA-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359757 852242956 /nfs/dbraw/zinc/24/29/56/852242956.db2.gz LPEYEZZLWLOTPA-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049933557 852400155 /nfs/dbraw/zinc/40/01/55/852400155.db2.gz QYPUDCAXJARFIV-STQMWFEESA-N 1 2 273.340 0.472 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CCO[C@H](C#N)C2)CC1 ZINC001254411447 852549887 /nfs/dbraw/zinc/54/98/87/852549887.db2.gz OSJYMOZVGKCZKF-CYBMUJFWSA-N 1 2 281.356 0.238 20 30 CCEDLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097765220 852613221 /nfs/dbraw/zinc/61/32/21/852613221.db2.gz VASVXQUUZNHUIX-KFWWJZLASA-N 1 2 297.358 0.245 20 30 CCEDLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097765220 852613227 /nfs/dbraw/zinc/61/32/27/852613227.db2.gz VASVXQUUZNHUIX-KFWWJZLASA-N 1 2 297.358 0.245 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1OCC)CCO2 ZINC001053173413 852701137 /nfs/dbraw/zinc/70/11/37/852701137.db2.gz UMHPJNMICKKCNF-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C1CC1)CCO2 ZINC001053238653 852717588 /nfs/dbraw/zinc/71/75/88/852717588.db2.gz ZPGNJOIQEJAHNK-AWEZNQCLSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1=COCCO1)O2 ZINC001053562744 852759829 /nfs/dbraw/zinc/75/98/29/852759829.db2.gz GOZWIFSIYWNJIA-GFCCVEGCSA-N 1 2 294.351 0.410 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]nnc1C)O2 ZINC001053635756 852772342 /nfs/dbraw/zinc/77/23/42/852772342.db2.gz LHYZNLICLXBGOD-LLVKDONJSA-N 1 2 291.355 0.262 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCOCC1)CO2 ZINC001053717019 852786286 /nfs/dbraw/zinc/78/62/86/852786286.db2.gz DQQOFDHZJCKIKJ-AWEZNQCLSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]13C[C@H]1COC3)CO2 ZINC001053807917 852825819 /nfs/dbraw/zinc/82/58/19/852825819.db2.gz SNDLSLRPQDLDCT-ZENOOKHLSA-N 1 2 290.363 0.006 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1csnn1)CO2 ZINC001053883004 852837764 /nfs/dbraw/zinc/83/77/64/852837764.db2.gz LWTYLZWKHJRMGQ-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)nn1 ZINC001053949394 852853584 /nfs/dbraw/zinc/85/35/84/852853584.db2.gz GEBBYAADVBUHJH-LLVKDONJSA-N 1 2 291.355 0.057 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccco1)CO2 ZINC001053963677 852857150 /nfs/dbraw/zinc/85/71/50/852857150.db2.gz QWVULSNXADHFDQ-ZDUSSCGKSA-N 1 2 288.347 0.805 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nocc1C)CO2 ZINC001053975756 852862725 /nfs/dbraw/zinc/86/27/25/852862725.db2.gz NHYRHZCSONFXOD-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO N#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219203 852897828 /nfs/dbraw/zinc/89/78/28/852897828.db2.gz JQBGNWFWFRJFGH-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001050816083 853445702 /nfs/dbraw/zinc/44/57/02/853445702.db2.gz VYDJCXYIANBGAL-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001050816083 853445705 /nfs/dbraw/zinc/44/57/05/853445705.db2.gz VYDJCXYIANBGAL-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)c[nH]1 ZINC001050879419 853472293 /nfs/dbraw/zinc/47/22/93/853472293.db2.gz AIEVMDWMSFVNMD-AWEZNQCLSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)c[nH]1 ZINC001050879419 853472300 /nfs/dbraw/zinc/47/23/00/853472300.db2.gz AIEVMDWMSFVNMD-AWEZNQCLSA-N 1 2 288.351 0.727 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051091071 853521991 /nfs/dbraw/zinc/52/19/91/853521991.db2.gz AFQNKKYIEGWORM-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051091071 853521995 /nfs/dbraw/zinc/52/19/95/853521995.db2.gz AFQNKKYIEGWORM-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC001051134901 853531717 /nfs/dbraw/zinc/53/17/17/853531717.db2.gz XUSYCBPDBLKIKJ-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1 ZINC001051134901 853531724 /nfs/dbraw/zinc/53/17/24/853531724.db2.gz XUSYCBPDBLKIKJ-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051964782 853665653 /nfs/dbraw/zinc/66/56/53/853665653.db2.gz NTRYCKWSGJZZEG-HNNXBMFYSA-N 1 2 275.396 0.638 20 30 CCEDLO CSCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051980807 853669557 /nfs/dbraw/zinc/66/95/57/853669557.db2.gz JYMRLPFVLGTSNU-LBPRGKRZSA-N 1 2 282.413 0.091 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001051995346 853671169 /nfs/dbraw/zinc/67/11/69/853671169.db2.gz BVQOXZXRAKIFBU-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025582 853677160 /nfs/dbraw/zinc/67/71/60/853677160.db2.gz HHIUAVLQLGDDHT-INIZCTEOSA-N 1 2 285.391 0.252 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[nH]c3)C2)CC1 ZINC001052029792 853677782 /nfs/dbraw/zinc/67/77/82/853677782.db2.gz BEUNHFOKFFUBSS-HNNXBMFYSA-N 1 2 286.379 0.480 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001058422721 853843714 /nfs/dbraw/zinc/84/37/14/853843714.db2.gz LWHOKSHRKUYNAK-NSHDSACASA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](n2ccnn2)C1 ZINC001070018828 854018272 /nfs/dbraw/zinc/01/82/72/854018272.db2.gz WONUPXGMDKOJLS-KGLIPLIRSA-N 1 2 299.378 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](n2ccnn2)C1 ZINC001070018828 854018276 /nfs/dbraw/zinc/01/82/76/854018276.db2.gz WONUPXGMDKOJLS-KGLIPLIRSA-N 1 2 299.378 0.443 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC)CC1 ZINC001070924751 854100821 /nfs/dbraw/zinc/10/08/21/854100821.db2.gz RDIICUQCEDALLM-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC)CC1 ZINC001070924751 854100828 /nfs/dbraw/zinc/10/08/28/854100828.db2.gz RDIICUQCEDALLM-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C=C2CCC2)CC1 ZINC001070954059 854107860 /nfs/dbraw/zinc/10/78/60/854107860.db2.gz KOQIKFLICFHNQD-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C=C2CCC2)CC1 ZINC001070954059 854107862 /nfs/dbraw/zinc/10/78/62/854107862.db2.gz KOQIKFLICFHNQD-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](F)CC)CC1 ZINC001070986817 854111424 /nfs/dbraw/zinc/11/14/24/854111424.db2.gz DXVBBLPIVMFZCD-CYBMUJFWSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](F)CC)CC1 ZINC001070986817 854111428 /nfs/dbraw/zinc/11/14/28/854111428.db2.gz DXVBBLPIVMFZCD-CYBMUJFWSA-N 1 2 299.390 0.961 20 30 CCEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)CC)C2)C(=O)C1 ZINC001071252272 854143080 /nfs/dbraw/zinc/14/30/80/854143080.db2.gz WQSFNWXJXYGRCR-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)CC)C2)C(=O)C1 ZINC001071252272 854143082 /nfs/dbraw/zinc/14/30/82/854143082.db2.gz WQSFNWXJXYGRCR-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001071340154 854161584 /nfs/dbraw/zinc/16/15/84/854161584.db2.gz KQJCJYJKHWLXME-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001071340154 854161588 /nfs/dbraw/zinc/16/15/88/854161588.db2.gz KQJCJYJKHWLXME-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001071784550 854288324 /nfs/dbraw/zinc/28/83/24/854288324.db2.gz GCOPTHYXECMGKZ-YPMHNXCESA-N 1 2 290.367 0.882 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001074211704 854696822 /nfs/dbraw/zinc/69/68/22/854696822.db2.gz CXZIABOYRSLXDW-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001074211704 854696824 /nfs/dbraw/zinc/69/68/24/854696824.db2.gz CXZIABOYRSLXDW-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)c1 ZINC001074335598 854713193 /nfs/dbraw/zinc/71/31/93/854713193.db2.gz BEIMYPKGIVUNIP-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)c1 ZINC001074335598 854713200 /nfs/dbraw/zinc/71/32/00/854713200.db2.gz BEIMYPKGIVUNIP-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@H](NCC#N)[C@@H]1C)n1cc[nH+]c1 ZINC001074927512 854799381 /nfs/dbraw/zinc/79/93/81/854799381.db2.gz IRKPSFHFHSSWNP-AVGNSLFASA-N 1 2 275.356 0.937 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001098306788 854857392 /nfs/dbraw/zinc/85/73/92/854857392.db2.gz NIOUJEQLABMYNI-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098591450 854872081 /nfs/dbraw/zinc/87/20/81/854872081.db2.gz HCDSMOKFVMQLMH-SNVBAGLBSA-N 1 2 283.282 0.039 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001100251022 855129873 /nfs/dbraw/zinc/12/98/73/855129873.db2.gz YITFLSSKJWSTLU-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001100589531 855194391 /nfs/dbraw/zinc/19/43/91/855194391.db2.gz CSAYYSLWHYMDIB-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101781062 855363837 /nfs/dbraw/zinc/36/38/37/855363837.db2.gz AWRGVIFOFVZBET-LLVKDONJSA-N 1 2 276.340 0.694 20 30 CCEDLO Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102702856 855465500 /nfs/dbraw/zinc/46/55/00/855465500.db2.gz ZTYQITVJTZRQHB-JQWIXIFHSA-N 1 2 273.340 0.982 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001103162005 855501773 /nfs/dbraw/zinc/50/17/73/855501773.db2.gz OYQCWGOGYBPIMV-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)nn1 ZINC001104053168 855564257 /nfs/dbraw/zinc/56/42/57/855564257.db2.gz SIXKWURYQUEFAR-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C#CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)CC1CC1 ZINC001116369153 855755169 /nfs/dbraw/zinc/75/51/69/855755169.db2.gz DEHSSABCKOLPAO-UHFFFAOYSA-N 1 2 271.324 0.914 20 30 CCEDLO C#CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)CC1CC1 ZINC001116369153 855755175 /nfs/dbraw/zinc/75/51/75/855755175.db2.gz DEHSSABCKOLPAO-UHFFFAOYSA-N 1 2 271.324 0.914 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(CC)o2)CC1 ZINC001116941357 855873135 /nfs/dbraw/zinc/87/31/35/855873135.db2.gz UBVQVFSFCMGGAQ-UHFFFAOYSA-N 1 2 276.340 0.593 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)Cn2nccc21 ZINC001119317561 856628810 /nfs/dbraw/zinc/62/88/10/856628810.db2.gz JPTVGOYZJDFDSB-MNOVXSKESA-N 1 2 292.339 0.312 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001119438835 856686948 /nfs/dbraw/zinc/68/69/48/856686948.db2.gz ONVPAXLUNJOTIZ-VXGBXAGGSA-N 1 2 269.308 0.659 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001119438835 856686950 /nfs/dbraw/zinc/68/69/50/856686950.db2.gz ONVPAXLUNJOTIZ-VXGBXAGGSA-N 1 2 269.308 0.659 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1(CC#N)CC1 ZINC001323298429 912254796 /nfs/dbraw/zinc/25/47/96/912254796.db2.gz MMOPYUBFJZZZMF-NSHDSACASA-N 1 2 289.339 0.198 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001323303001 912256885 /nfs/dbraw/zinc/25/68/85/912256885.db2.gz QOFKPHWFHSQXLJ-LSDHHAIUSA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001323303001 912256901 /nfs/dbraw/zinc/25/69/01/912256901.db2.gz QOFKPHWFHSQXLJ-LSDHHAIUSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CC1CCCC1 ZINC001323320200 912262136 /nfs/dbraw/zinc/26/21/36/912262136.db2.gz VBCWVBCAEIYYLR-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)CC1CCCC1 ZINC001323320200 912262151 /nfs/dbraw/zinc/26/21/51/912262151.db2.gz VBCWVBCAEIYYLR-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCCCCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001323423929 912337102 /nfs/dbraw/zinc/33/71/02/912337102.db2.gz NAPKEQKUHKBDII-UHFFFAOYSA-N 1 2 289.383 0.747 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001323887869 912563858 /nfs/dbraw/zinc/56/38/58/912563858.db2.gz WFSCQPBZQRNJEH-CQSZACIVSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001323921353 912582847 /nfs/dbraw/zinc/58/28/47/912582847.db2.gz LGDSNEKOFVVOKX-CYBMUJFWSA-N 1 2 250.342 0.577 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CO[C@H]2CCOC2)C1 ZINC001323921823 912584317 /nfs/dbraw/zinc/58/43/17/912584317.db2.gz UJBUZVHONFIODF-AWEZNQCLSA-N 1 2 298.383 0.137 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC1(C)CCN(CC#N)CC1 ZINC001324342173 912792412 /nfs/dbraw/zinc/79/24/12/912792412.db2.gz HKMLSIDWNJZCBV-UHFFFAOYSA-N 1 2 289.383 0.847 20 30 CCEDLO C[C@@]1(NC(=O)C2=CCCC2)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324602038 912933368 /nfs/dbraw/zinc/93/33/68/912933368.db2.gz PJQKRFAGNGFHDK-OAHLLOKOSA-N 1 2 290.367 0.317 20 30 CCEDLO C[C@@]1(NC(=O)C2=CCCC2)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324602038 912933379 /nfs/dbraw/zinc/93/33/79/912933379.db2.gz PJQKRFAGNGFHDK-OAHLLOKOSA-N 1 2 290.367 0.317 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001325265912 913309707 /nfs/dbraw/zinc/30/97/07/913309707.db2.gz WFVHHAGOLCIYDN-ITGUQSILSA-N 1 2 262.353 0.219 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862629 891406654 /nfs/dbraw/zinc/40/66/54/891406654.db2.gz XMYZDXSRINJSLP-UHFFFAOYSA-N 1 2 289.383 0.568 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862629 891406667 /nfs/dbraw/zinc/40/66/67/891406667.db2.gz XMYZDXSRINJSLP-UHFFFAOYSA-N 1 2 289.383 0.568 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001480862845 891406973 /nfs/dbraw/zinc/40/69/73/891406973.db2.gz GDVBUASSFLZCCK-GFCCVEGCSA-N 1 2 278.356 0.006 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001480862845 891406976 /nfs/dbraw/zinc/40/69/76/891406976.db2.gz GDVBUASSFLZCCK-GFCCVEGCSA-N 1 2 278.356 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001480879793 891516222 /nfs/dbraw/zinc/51/62/22/891516222.db2.gz SKLKHDBQLKDDIY-LBPRGKRZSA-N 1 2 281.400 0.466 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001480879793 891516228 /nfs/dbraw/zinc/51/62/28/891516228.db2.gz SKLKHDBQLKDDIY-LBPRGKRZSA-N 1 2 281.400 0.466 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)CSCC#N)n1 ZINC001493481042 891677397 /nfs/dbraw/zinc/67/73/97/891677397.db2.gz DCHVJYOGQSPFHB-SECBINFHSA-N 1 2 297.384 0.744 20 30 CCEDLO CCCN(C(=O)C(C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481390484 892608587 /nfs/dbraw/zinc/60/85/87/892608587.db2.gz NNMXSGJFSHFVOQ-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)C(C)C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481390484 892608590 /nfs/dbraw/zinc/60/85/90/892608590.db2.gz NNMXSGJFSHFVOQ-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO Cc1ncsc1CC[NH+]1CC(NC(=O)[C@H](C)C#N)C1 ZINC001481550351 892811878 /nfs/dbraw/zinc/81/18/78/892811878.db2.gz ODRMFKDSARSZFO-SECBINFHSA-N 1 2 278.381 0.954 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001481555309 892821666 /nfs/dbraw/zinc/82/16/66/892821666.db2.gz IAIBRKKTGKLXRH-XJKSGUPXSA-N 1 2 296.411 0.929 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001481586554 892871474 /nfs/dbraw/zinc/87/14/74/892871474.db2.gz FUCZTRDUTBNAIE-FZMZJTMJSA-N 1 2 297.399 0.293 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC[C@H]1CCCO1 ZINC001481684032 892995828 /nfs/dbraw/zinc/99/58/28/892995828.db2.gz IRDBOYUCCVCKID-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC[C@H]1CCCO1 ZINC001481684032 892995839 /nfs/dbraw/zinc/99/58/39/892995839.db2.gz IRDBOYUCCVCKID-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO N#CCNCC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481983163 893296376 /nfs/dbraw/zinc/29/63/76/893296376.db2.gz GJLNIFZKVUZMSD-GFCCVEGCSA-N 1 2 275.356 0.694 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)OCC)C1 ZINC001482182792 893470047 /nfs/dbraw/zinc/47/00/47/893470047.db2.gz OGSJWUAMQJDMAZ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)OCC)C1 ZINC001482182792 893470055 /nfs/dbraw/zinc/47/00/55/893470055.db2.gz OGSJWUAMQJDMAZ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001482277730 893746971 /nfs/dbraw/zinc/74/69/71/893746971.db2.gz MKNIXTVMHYJFBP-YGRLFVJLSA-N 1 2 296.371 0.642 20 30 CCEDLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CNCC#N ZINC001482499911 894162241 /nfs/dbraw/zinc/16/22/41/894162241.db2.gz RMFVRANCXNPAQW-VXGBXAGGSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C2CC2)CC1 ZINC001482606010 894394409 /nfs/dbraw/zinc/39/44/09/894394409.db2.gz MBTSMUUCJOSQTB-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C2CC2)CC1 ZINC001482606010 894394421 /nfs/dbraw/zinc/39/44/21/894394421.db2.gz MBTSMUUCJOSQTB-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001482640870 894443035 /nfs/dbraw/zinc/44/30/35/894443035.db2.gz KGBNIZMDVMOEEO-UHFFFAOYSA-N 1 2 271.752 0.490 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001482640870 894443047 /nfs/dbraw/zinc/44/30/47/894443047.db2.gz KGBNIZMDVMOEEO-UHFFFAOYSA-N 1 2 271.752 0.490 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105469056 894464466 /nfs/dbraw/zinc/46/44/66/894464466.db2.gz JPYYVSMZBXVHQR-LBPRGKRZSA-N 1 2 290.367 0.718 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1cnsn1 ZINC001482924410 894702498 /nfs/dbraw/zinc/70/24/98/894702498.db2.gz QGNFXFKNYNFTPP-LLVKDONJSA-N 1 2 296.396 0.515 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]Cc1nnc(C2CC2)o1 ZINC001482992810 894781100 /nfs/dbraw/zinc/78/11/00/894781100.db2.gz ZETIXNJZBYHGMJ-MXQLGCADSA-N 1 2 289.339 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1nn(C)cc1Cl ZINC001482991032 894782533 /nfs/dbraw/zinc/78/25/33/894782533.db2.gz LNLQKMATZQPHRH-HMDXOVGESA-N 1 2 295.774 0.995 20 30 CCEDLO C#Cc1cncc(C(=O)NC/C=C\C[NH2+]Cc2cnon2)c1 ZINC001483056401 894858450 /nfs/dbraw/zinc/85/84/50/894858450.db2.gz FEDAJCIPVCJNKW-ARJAWSKDSA-N 1 2 297.318 0.522 20 30 CCEDLO N#CCNCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001326367073 913915310 /nfs/dbraw/zinc/91/53/10/913915310.db2.gz AIOBUNQXUHEMFN-NSHDSACASA-N 1 2 261.329 0.304 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001483128256 894975741 /nfs/dbraw/zinc/97/57/41/894975741.db2.gz ZHNCCLPSMJMBGI-SNVBAGLBSA-N 1 2 282.369 0.172 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001483649938 895793658 /nfs/dbraw/zinc/79/36/58/895793658.db2.gz PNMRTXOLTHZJBD-AWEZNQCLSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001483649938 895793675 /nfs/dbraw/zinc/79/36/75/895793675.db2.gz PNMRTXOLTHZJBD-AWEZNQCLSA-N 1 2 291.351 0.713 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001483649461 895797125 /nfs/dbraw/zinc/79/71/25/895797125.db2.gz VWFUCWOAEOSTTM-CQSZACIVSA-N 1 2 262.353 0.486 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001483649461 895797137 /nfs/dbraw/zinc/79/71/37/895797137.db2.gz VWFUCWOAEOSTTM-CQSZACIVSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC001483667058 895822552 /nfs/dbraw/zinc/82/25/52/895822552.db2.gz XDVKHQRIJOJQCZ-ZDUSSCGKSA-N 1 2 260.341 0.324 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC001483667058 895822569 /nfs/dbraw/zinc/82/25/69/895822569.db2.gz XDVKHQRIJOJQCZ-ZDUSSCGKSA-N 1 2 260.341 0.324 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccccc1OC ZINC001483701483 895880650 /nfs/dbraw/zinc/88/06/50/895880650.db2.gz MJGGCLPXTAQLAH-ZDUSSCGKSA-N 1 2 288.347 0.898 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccccc1OC ZINC001483701483 895880659 /nfs/dbraw/zinc/88/06/59/895880659.db2.gz MJGGCLPXTAQLAH-ZDUSSCGKSA-N 1 2 288.347 0.898 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH2+]Cc3ccon3)CC2)[nH]1 ZINC001483727286 895924993 /nfs/dbraw/zinc/92/49/93/895924993.db2.gz LXGHXDPAAQKCPX-UHFFFAOYSA-N 1 2 285.307 0.927 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 ZINC001483891891 896108706 /nfs/dbraw/zinc/10/87/06/896108706.db2.gz UUCWUENPLBRISP-FZMZJTMJSA-N 1 2 281.400 0.866 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001397110752 914049857 /nfs/dbraw/zinc/04/98/57/914049857.db2.gz NNMWQEKMQNMFOC-DCAQKATOSA-N 1 2 291.355 0.776 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484354426 896354399 /nfs/dbraw/zinc/35/43/99/896354399.db2.gz YFBYMMDYBCPDJL-RYUDHWBXSA-N 1 2 275.356 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2conc2C)C1 ZINC001484443679 896412521 /nfs/dbraw/zinc/41/25/21/896412521.db2.gz NPAJJIMMEPBMJR-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2conc2C)C1 ZINC001484443679 896412529 /nfs/dbraw/zinc/41/25/29/896412529.db2.gz NPAJJIMMEPBMJR-AWEZNQCLSA-N 1 2 277.324 0.173 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001484599788 896488093 /nfs/dbraw/zinc/48/80/93/896488093.db2.gz CBJARPJFZDMHQX-ZDUSSCGKSA-N 1 2 270.373 0.542 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001484599788 896488106 /nfs/dbraw/zinc/48/81/06/896488106.db2.gz CBJARPJFZDMHQX-ZDUSSCGKSA-N 1 2 270.373 0.542 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484748484 896585161 /nfs/dbraw/zinc/58/51/61/896585161.db2.gz VHTNYGOLGSEAPU-ZDUSSCGKSA-N 1 2 289.383 0.749 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001397203619 914096723 /nfs/dbraw/zinc/09/67/23/914096723.db2.gz GBJAFWFRUWREQD-DLOVCJGASA-N 1 2 289.339 0.265 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001397203619 914096736 /nfs/dbraw/zinc/09/67/36/914096736.db2.gz GBJAFWFRUWREQD-DLOVCJGASA-N 1 2 289.339 0.265 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)COC(C)(C)C)C1 ZINC001485404413 897038296 /nfs/dbraw/zinc/03/82/96/897038296.db2.gz XWSAUSTUIWAIME-UHFFFAOYSA-N 1 2 282.384 0.378 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)SC)C1 ZINC001485491206 897078527 /nfs/dbraw/zinc/07/85/27/897078527.db2.gz QJEKNPNXUIOXJY-WDEREUQCSA-N 1 2 299.440 0.477 20 30 CCEDLO CCCCC(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001485559296 897111841 /nfs/dbraw/zinc/11/18/41/897111841.db2.gz OSLKLIWIOAKIQO-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCCC(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001485559296 897111851 /nfs/dbraw/zinc/11/18/51/897111851.db2.gz OSLKLIWIOAKIQO-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO N#CCNC[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001485685813 897182501 /nfs/dbraw/zinc/18/25/01/897182501.db2.gz WONKXAJPTUWIMS-UMSPYCQHSA-N 1 2 261.329 0.350 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107820665 897326711 /nfs/dbraw/zinc/32/67/11/897326711.db2.gz ARQUYGVXNNCDJL-GXTWGEPZSA-N 1 2 263.341 0.376 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107820665 897326717 /nfs/dbraw/zinc/32/67/17/897326717.db2.gz ARQUYGVXNNCDJL-GXTWGEPZSA-N 1 2 263.341 0.376 20 30 CCEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@@](O)(CC#N)C1 ZINC001326766138 914151071 /nfs/dbraw/zinc/15/10/71/914151071.db2.gz BBLBXIVLVMCWRP-LBPRGKRZSA-N 1 2 258.285 0.218 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001107851478 897352430 /nfs/dbraw/zinc/35/24/30/897352430.db2.gz NVDPLWBAHKIQQL-LLVKDONJSA-N 1 2 298.350 0.268 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncnc2)C1 ZINC001107888724 897440225 /nfs/dbraw/zinc/44/02/25/897440225.db2.gz WFAKZKFEOZXEFL-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncnc2)C1 ZINC001107888724 897440245 /nfs/dbraw/zinc/44/02/45/897440245.db2.gz WFAKZKFEOZXEFL-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC)CC2 ZINC001127910644 897451443 /nfs/dbraw/zinc/45/14/43/897451443.db2.gz RKHTXIGCUNWZAU-NSHDSACASA-N 1 2 275.356 0.232 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940367 897529595 /nfs/dbraw/zinc/52/95/95/897529595.db2.gz RRNXYWFKBJCNMD-ZBFHGGJFSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940367 897529613 /nfs/dbraw/zinc/52/96/13/897529613.db2.gz RRNXYWFKBJCNMD-ZBFHGGJFSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCOCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940707 897531127 /nfs/dbraw/zinc/53/11/27/897531127.db2.gz WXVLNZZPXPIKQV-INIZCTEOSA-N 1 2 292.379 0.257 20 30 CCEDLO C#CCOCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940707 897531138 /nfs/dbraw/zinc/53/11/38/897531138.db2.gz WXVLNZZPXPIKQV-INIZCTEOSA-N 1 2 292.379 0.257 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]cnc2c1 ZINC001032427169 897550404 /nfs/dbraw/zinc/55/04/04/897550404.db2.gz NCXHLXIEEKYYMD-RYUDHWBXSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]cnc2c1 ZINC001032427169 897550410 /nfs/dbraw/zinc/55/04/10/897550410.db2.gz NCXHLXIEEKYYMD-RYUDHWBXSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(C)c1C ZINC001032439523 897564632 /nfs/dbraw/zinc/56/46/32/897564632.db2.gz GNTFJKZTZKHSHR-KBPBESRZSA-N 1 2 272.352 0.189 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(C)c1C ZINC001032439523 897564643 /nfs/dbraw/zinc/56/46/43/897564643.db2.gz GNTFJKZTZKHSHR-KBPBESRZSA-N 1 2 272.352 0.189 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1OC ZINC001032451158 897586444 /nfs/dbraw/zinc/58/64/44/897586444.db2.gz QHWAQKZVMYGSLR-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1OC ZINC001032451158 897586456 /nfs/dbraw/zinc/58/64/56/897586456.db2.gz QHWAQKZVMYGSLR-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032472640 897611539 /nfs/dbraw/zinc/61/15/39/897611539.db2.gz KDZBSCAJKZXXNT-STQMWFEESA-N 1 2 286.335 0.441 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001032483108 897632798 /nfs/dbraw/zinc/63/27/98/897632798.db2.gz QIJJMOUTWFKYQN-BPUTZDHNSA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001032483108 897632812 /nfs/dbraw/zinc/63/28/12/897632812.db2.gz QIJJMOUTWFKYQN-BPUTZDHNSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCn2nccc21 ZINC001032483569 897635811 /nfs/dbraw/zinc/63/58/11/897635811.db2.gz TVBYQWLHYHBPLS-IHRRRGAJSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCn2nccc21 ZINC001032483569 897635816 /nfs/dbraw/zinc/63/58/16/897635816.db2.gz TVBYQWLHYHBPLS-IHRRRGAJSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OCC)n1 ZINC001032532181 897709109 /nfs/dbraw/zinc/70/91/09/897709109.db2.gz FAETUMVQJIIDPU-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OCC)n1 ZINC001032532181 897709116 /nfs/dbraw/zinc/70/91/16/897709116.db2.gz FAETUMVQJIIDPU-GJZGRUSLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCC1 ZINC001032544129 897724157 /nfs/dbraw/zinc/72/41/57/897724157.db2.gz FTZCTDZRNBFYAS-MELADBBJSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCC1 ZINC001032544129 897724164 /nfs/dbraw/zinc/72/41/64/897724164.db2.gz FTZCTDZRNBFYAS-MELADBBJSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCC1 ZINC001032544128 897724784 /nfs/dbraw/zinc/72/47/84/897724784.db2.gz FTZCTDZRNBFYAS-IHRRRGAJSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCC1 ZINC001032544128 897724794 /nfs/dbraw/zinc/72/47/94/897724794.db2.gz FTZCTDZRNBFYAS-IHRRRGAJSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cncnc1 ZINC001032585605 897777592 /nfs/dbraw/zinc/77/75/92/897777592.db2.gz OOGOHFJXEPDGJB-XBFCOCLRSA-N 1 2 270.336 0.498 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cncnc1 ZINC001032585605 897777599 /nfs/dbraw/zinc/77/75/99/897777599.db2.gz OOGOHFJXEPDGJB-XBFCOCLRSA-N 1 2 270.336 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001032589799 897788827 /nfs/dbraw/zinc/78/88/27/897788827.db2.gz GSTKFMYTNCHEPV-UWVGGRQHSA-N 1 2 297.318 0.195 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001032589799 897788836 /nfs/dbraw/zinc/78/88/36/897788836.db2.gz GSTKFMYTNCHEPV-UWVGGRQHSA-N 1 2 297.318 0.195 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001077819142 897842161 /nfs/dbraw/zinc/84/21/61/897842161.db2.gz YZIMSMYOKRRCOF-YLFCFFPRSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001077819142 897842167 /nfs/dbraw/zinc/84/21/67/897842167.db2.gz YZIMSMYOKRRCOF-YLFCFFPRSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001077943715 898092871 /nfs/dbraw/zinc/09/28/71/898092871.db2.gz OJFXTDRGESICFG-JHJVBQTASA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001077943715 898092887 /nfs/dbraw/zinc/09/28/87/898092887.db2.gz OJFXTDRGESICFG-JHJVBQTASA-N 1 2 262.353 0.361 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272881087 898114668 /nfs/dbraw/zinc/11/46/68/898114668.db2.gz ZFGDMUJPLAQBEV-MRXNPFEDSA-N 1 2 286.379 0.929 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272881087 898114678 /nfs/dbraw/zinc/11/46/78/898114678.db2.gz ZFGDMUJPLAQBEV-MRXNPFEDSA-N 1 2 286.379 0.929 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001272886731 898124907 /nfs/dbraw/zinc/12/49/07/898124907.db2.gz SUYGUPKEJZTGSB-CHWSQXEVSA-N 1 2 285.351 0.329 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001272886731 898124918 /nfs/dbraw/zinc/12/49/18/898124918.db2.gz SUYGUPKEJZTGSB-CHWSQXEVSA-N 1 2 285.351 0.329 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001272886731 898124926 /nfs/dbraw/zinc/12/49/26/898124926.db2.gz SUYGUPKEJZTGSB-CHWSQXEVSA-N 1 2 285.351 0.329 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001077986226 898147033 /nfs/dbraw/zinc/14/70/33/898147033.db2.gz SQOGXNZHTAQONQ-GHMZBOCLSA-N 1 2 293.392 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001077986226 898147039 /nfs/dbraw/zinc/14/70/39/898147039.db2.gz SQOGXNZHTAQONQ-GHMZBOCLSA-N 1 2 293.392 0.675 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099632262 898300172 /nfs/dbraw/zinc/30/01/72/898300172.db2.gz AIEWAURHCYMWRZ-MNOVXSKESA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099632262 898300182 /nfs/dbraw/zinc/30/01/82/898300182.db2.gz AIEWAURHCYMWRZ-MNOVXSKESA-N 1 2 276.764 0.327 20 30 CCEDLO C=C[C@H](COC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001327259956 914451447 /nfs/dbraw/zinc/45/14/47/914451447.db2.gz VZMZJXJWSHTXHQ-GFCCVEGCSA-N 1 2 294.355 0.049 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCOC2)CC1 ZINC001490486473 900638144 /nfs/dbraw/zinc/63/81/44/900638144.db2.gz AVGMJCXNWFPQER-AWEZNQCLSA-N 1 2 294.399 0.060 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CC2(F)F)CC1 ZINC001490491770 900640360 /nfs/dbraw/zinc/64/03/60/900640360.db2.gz SLIMFVSLZUAFIO-NSHDSACASA-N 1 2 271.311 0.009 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001490531353 900652309 /nfs/dbraw/zinc/65/23/09/900652309.db2.gz ULTHLTQPVGYLPX-VHSXEESVSA-N 1 2 278.312 0.533 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001490531353 900652316 /nfs/dbraw/zinc/65/23/16/900652316.db2.gz ULTHLTQPVGYLPX-VHSXEESVSA-N 1 2 278.312 0.533 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001490558407 900664337 /nfs/dbraw/zinc/66/43/37/900664337.db2.gz HWEBHUUVTFMSFG-BXUZGUMPSA-N 1 2 267.373 0.525 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001490558407 900664334 /nfs/dbraw/zinc/66/43/34/900664334.db2.gz HWEBHUUVTFMSFG-BXUZGUMPSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001327301333 914471935 /nfs/dbraw/zinc/47/19/35/914471935.db2.gz UBRAKKAGRJYCKB-NWDGAFQWSA-N 1 2 290.367 0.785 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(CC#N)C1 ZINC001318482955 900837783 /nfs/dbraw/zinc/83/77/83/900837783.db2.gz AAVLCACKWFDBER-GFCCVEGCSA-N 1 2 275.356 0.409 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001320042991 900913000 /nfs/dbraw/zinc/91/30/00/900913000.db2.gz PGQFOYSYKWBBCM-HNNXBMFYSA-N 1 2 294.399 0.619 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001320042991 900913012 /nfs/dbraw/zinc/91/30/12/900913012.db2.gz PGQFOYSYKWBBCM-HNNXBMFYSA-N 1 2 294.399 0.619 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001327350059 914494885 /nfs/dbraw/zinc/49/48/85/914494885.db2.gz NWGOXZDCSKIANI-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001327397768 914520290 /nfs/dbraw/zinc/52/02/90/914520290.db2.gz VXRLXPOFQVLUBF-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C[C@]1(C#N)CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001327581705 914634041 /nfs/dbraw/zinc/63/40/41/914634041.db2.gz BORDHFFERWGPIX-CYBMUJFWSA-N 1 2 259.313 0.431 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001281577053 903951527 /nfs/dbraw/zinc/95/15/27/903951527.db2.gz FTMIFCNWERLNOW-UHFFFAOYSA-N 1 2 275.396 0.804 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001331495000 903990776 /nfs/dbraw/zinc/99/07/76/903990776.db2.gz KHHQUCOMFFSHPL-ZJUUUORDSA-N 1 2 250.302 0.308 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001316602399 904114552 /nfs/dbraw/zinc/11/45/52/904114552.db2.gz IAOXICNWLNWAPV-KBPBESRZSA-N 1 2 276.380 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001316602399 904114560 /nfs/dbraw/zinc/11/45/60/904114560.db2.gz IAOXICNWLNWAPV-KBPBESRZSA-N 1 2 276.380 0.969 20 30 CCEDLO N#CCNC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001280684931 904139352 /nfs/dbraw/zinc/13/93/52/904139352.db2.gz YSVCJFAXVQPDJO-ZDUSSCGKSA-N 1 2 291.355 0.004 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001280862920 904161763 /nfs/dbraw/zinc/16/17/63/904161763.db2.gz BHFNUNHONVMWIU-VXGBXAGGSA-N 1 2 291.355 0.444 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)COC(C)C)O2 ZINC001280922415 904174366 /nfs/dbraw/zinc/17/43/66/904174366.db2.gz UVOQBARYCVHTAC-CYBMUJFWSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)nn1 ZINC001327828652 914790194 /nfs/dbraw/zinc/79/01/94/914790194.db2.gz BQWXFHNUXPEQRS-AAEUAGOBSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)nn1 ZINC001327828652 914790209 /nfs/dbraw/zinc/79/02/09/914790209.db2.gz BQWXFHNUXPEQRS-AAEUAGOBSA-N 1 2 266.345 0.029 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)COC(C)(C)C)CC2)C1 ZINC001281577318 904307710 /nfs/dbraw/zinc/30/77/10/904307710.db2.gz HMJKAGKSTDHVLN-UHFFFAOYSA-N 1 2 293.411 0.263 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282135257 904421009 /nfs/dbraw/zinc/42/10/09/904421009.db2.gz YFOZEFBHDCGMED-WDEREUQCSA-N 1 2 294.403 0.795 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)COC2CCCC2)C1 ZINC001282509501 904496448 /nfs/dbraw/zinc/49/64/48/904496448.db2.gz HITFETLZJVYPFF-UHFFFAOYSA-N 1 2 294.395 0.522 20 30 CCEDLO COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCCC(C)=O)C1 ZINC001282688272 904520318 /nfs/dbraw/zinc/52/03/18/904520318.db2.gz IWLMYWUORPYTLK-CQSZACIVSA-N 1 2 294.395 0.832 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283291468 904793511 /nfs/dbraw/zinc/79/35/11/904793511.db2.gz MRZLIZNNYWZSPG-STQMWFEESA-N 1 2 292.383 0.964 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001283793937 905019979 /nfs/dbraw/zinc/01/99/79/905019979.db2.gz YJMIDQPHZGGQQG-ONGXEEELSA-N 1 2 295.387 0.453 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2c(C)cnn2COC)nn1 ZINC001333732180 906092536 /nfs/dbraw/zinc/09/25/36/906092536.db2.gz BAXNTBBCHCYPCV-UHFFFAOYSA-N 1 2 276.344 0.863 20 30 CCEDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ncc1C#N ZINC001293565969 906490928 /nfs/dbraw/zinc/49/09/28/906490928.db2.gz RBWRVHKHBPXHOB-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO CC(C)C#CC(=O)NCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001296058331 906860334 /nfs/dbraw/zinc/86/03/34/906860334.db2.gz VDPWRMLUIMZNOB-UHFFFAOYSA-N 1 2 290.367 0.507 20 30 CCEDLO C=CCCCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001297129104 907025627 /nfs/dbraw/zinc/02/56/27/907025627.db2.gz SGVUGRGUXHKWDH-UHFFFAOYSA-N 1 2 276.340 0.566 20 30 CCEDLO C=CCCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001298547311 907266233 /nfs/dbraw/zinc/26/62/33/907266233.db2.gz UQLJTOFJTFLQHH-LLVKDONJSA-N 1 2 264.329 0.470 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001381594987 907314696 /nfs/dbraw/zinc/31/46/96/907314696.db2.gz TWMRDUDTAQKMCZ-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001381594987 907314710 /nfs/dbraw/zinc/31/47/10/907314710.db2.gz TWMRDUDTAQKMCZ-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=CCN1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001495870986 907561739 /nfs/dbraw/zinc/56/17/39/907561739.db2.gz QKMZEMZZGOGXAS-UONOGXRCSA-N 1 2 292.383 0.837 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001382203491 907619376 /nfs/dbraw/zinc/61/93/76/907619376.db2.gz CHSRDLJGBITGTF-RQJHMYQMSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnns1 ZINC001492197984 907750885 /nfs/dbraw/zinc/75/08/85/907750885.db2.gz LJUPPHMBHCSPQV-UHFFFAOYSA-N 1 2 260.750 0.952 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnns1 ZINC001492197984 907750876 /nfs/dbraw/zinc/75/08/76/907750876.db2.gz LJUPPHMBHCSPQV-UHFFFAOYSA-N 1 2 260.750 0.952 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001492226490 907782434 /nfs/dbraw/zinc/78/24/34/907782434.db2.gz LXZDBDQHRPMIBV-UHFFFAOYSA-N 1 2 295.358 0.581 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001492226490 907782441 /nfs/dbraw/zinc/78/24/41/907782441.db2.gz LXZDBDQHRPMIBV-UHFFFAOYSA-N 1 2 295.358 0.581 20 30 CCEDLO C[C@@H](Nc1cnccc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC001338084705 921364587 /nfs/dbraw/zinc/36/45/87/921364587.db2.gz QUSUYGLKMSISRQ-RISCZKNCSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1cnccc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC001338084705 921364593 /nfs/dbraw/zinc/36/45/93/921364593.db2.gz QUSUYGLKMSISRQ-RISCZKNCSA-N 1 2 259.357 0.999 20 30 CCEDLO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)CSCC#N)o1 ZINC001317226379 907959793 /nfs/dbraw/zinc/95/97/93/907959793.db2.gz DIGJTFZBLMSIEN-VIFPVBQESA-N 1 2 282.369 0.834 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001383818189 908084502 /nfs/dbraw/zinc/08/45/02/908084502.db2.gz UWKRQYAECVOIQE-NEPJUHHUSA-N 1 2 291.355 0.396 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1C(=O)NCc1nc(C#N)cs1 ZINC001304187644 908155739 /nfs/dbraw/zinc/15/57/39/908155739.db2.gz SUIDCWRUCPKLBP-SECBINFHSA-N 1 2 250.327 0.725 20 30 CCEDLO CC[N@H+]1CC[C@@H]1C(=O)NCc1nc(C#N)cs1 ZINC001304187644 908155745 /nfs/dbraw/zinc/15/57/45/908155745.db2.gz SUIDCWRUCPKLBP-SECBINFHSA-N 1 2 250.327 0.725 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384986112 908328798 /nfs/dbraw/zinc/32/87/98/908328798.db2.gz YDCUNZZCDZGVMB-MXWKQRLJSA-N 1 2 289.339 0.123 20 30 CCEDLO COCC#CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001328559729 908687971 /nfs/dbraw/zinc/68/79/71/908687971.db2.gz UCKITXLEVORFOQ-QWHCGFSZSA-N 1 2 261.325 0.942 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N ZINC001386418865 908729001 /nfs/dbraw/zinc/72/90/01/908729001.db2.gz QQKGKSHXCIBDNC-BDAKNGLRSA-N 1 2 277.328 0.041 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1cnns1 ZINC001316825904 908791815 /nfs/dbraw/zinc/79/18/15/908791815.db2.gz WMHSSBQVUYJJDN-LLVKDONJSA-N 1 2 296.396 0.515 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1cnns1 ZINC001316825904 908791826 /nfs/dbraw/zinc/79/18/26/908791826.db2.gz WMHSSBQVUYJJDN-LLVKDONJSA-N 1 2 296.396 0.515 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001316965014 908875208 /nfs/dbraw/zinc/87/52/08/908875208.db2.gz NHUGQEYKQKMQID-ZDUSSCGKSA-N 1 2 299.365 0.789 20 30 CCEDLO CO[C@@H](CC(C)C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316966996 908875604 /nfs/dbraw/zinc/87/56/04/908875604.db2.gz MUYHOMOFNXYPOF-AWEZNQCLSA-N 1 2 296.415 0.305 20 30 CCEDLO CCCN(C(=O)C#CC(C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001317004188 908910863 /nfs/dbraw/zinc/91/08/63/908910863.db2.gz OVIXEQAWGZEJBL-UHFFFAOYSA-N 1 2 293.411 0.834 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001317055800 908946428 /nfs/dbraw/zinc/94/64/28/908946428.db2.gz IWJDNFYZKMJFTP-JTQLQIEISA-N 1 2 282.369 0.431 20 30 CCEDLO C[C@H](CC(=O)NCCN(CC#N)C1CC1)n1cc[nH+]c1 ZINC001317558181 909333704 /nfs/dbraw/zinc/33/37/04/909333704.db2.gz HEISAPOINYBZSG-GFCCVEGCSA-N 1 2 275.356 0.938 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](CCCO[C@H]2CCOC2)C1 ZINC001318025167 909587862 /nfs/dbraw/zinc/58/78/62/909587862.db2.gz ULVBLZCFCOYRCJ-HNNXBMFYSA-N 1 2 292.379 0.396 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C(C)C)C1 ZINC001318159657 909650375 /nfs/dbraw/zinc/65/03/75/909650375.db2.gz VQARQJOLUNXUBQ-GFCCVEGCSA-N 1 2 281.400 0.629 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[C@H](O)C[N@@H+]3C)n2C)C1 ZINC001338583376 921516834 /nfs/dbraw/zinc/51/68/34/921516834.db2.gz PHLLNTIPEQTYOZ-FRRDWIJNSA-N 1 2 289.383 0.402 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[C@H](O)C[N@H+]3C)n2C)C1 ZINC001338583376 921516845 /nfs/dbraw/zinc/51/68/45/921516845.db2.gz PHLLNTIPEQTYOZ-FRRDWIJNSA-N 1 2 289.383 0.402 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001318349595 909717453 /nfs/dbraw/zinc/71/74/53/909717453.db2.gz PMGDYCJPEKOQPI-YPMHNXCESA-N 1 2 285.363 0.473 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001318349595 909717467 /nfs/dbraw/zinc/71/74/67/909717467.db2.gz PMGDYCJPEKOQPI-YPMHNXCESA-N 1 2 285.363 0.473 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001389488682 909932460 /nfs/dbraw/zinc/93/24/60/909932460.db2.gz JOIKQAYQKPDMND-LLVKDONJSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001389488682 909932471 /nfs/dbraw/zinc/93/24/71/909932471.db2.gz JOIKQAYQKPDMND-LLVKDONJSA-N 1 2 287.791 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001319304496 910086392 /nfs/dbraw/zinc/08/63/92/910086392.db2.gz ICEWWGUYHSONRN-OCCSQVGLSA-N 1 2 268.357 0.317 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001319304496 910086412 /nfs/dbraw/zinc/08/64/12/910086412.db2.gz ICEWWGUYHSONRN-OCCSQVGLSA-N 1 2 268.357 0.317 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001320260987 910563322 /nfs/dbraw/zinc/56/33/22/910563322.db2.gz WEYUCRVUKVALIC-MWLCHTKSSA-N 1 2 296.371 0.718 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001417757348 921597875 /nfs/dbraw/zinc/59/78/75/921597875.db2.gz NNMWQEKMQNMFOC-GARJFASQSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390959409 910794199 /nfs/dbraw/zinc/79/41/99/910794199.db2.gz GANDTTBKQQPCRU-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390959409 910794221 /nfs/dbraw/zinc/79/42/21/910794221.db2.gz GANDTTBKQQPCRU-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO O=c1cn[nH]c(=S)n1N=Cc1cccc2[nH+]ccn21 ZINC001320800503 910876304 /nfs/dbraw/zinc/87/63/04/910876304.db2.gz SGAYBNOUTWQFGS-UHFFFAOYSA-N 1 2 272.293 0.457 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)on1 ZINC001391613788 911262034 /nfs/dbraw/zinc/26/20/34/911262034.db2.gz MZLBPLKFPOVMSR-MNOVXSKESA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)on1 ZINC001391613788 911262045 /nfs/dbraw/zinc/26/20/45/911262045.db2.gz MZLBPLKFPOVMSR-MNOVXSKESA-N 1 2 292.339 0.876 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001321689051 911445469 /nfs/dbraw/zinc/44/54/69/911445469.db2.gz ICIOJISNUUPDDE-NEPJUHHUSA-N 1 2 278.356 0.859 20 30 CCEDLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CSCC#N ZINC001322116400 911662010 /nfs/dbraw/zinc/66/20/10/911662010.db2.gz HUVIBFPWBSOPMS-JTQLQIEISA-N 1 2 296.400 0.008 20 30 CCEDLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CSCC#N ZINC001322116400 911662023 /nfs/dbraw/zinc/66/20/23/911662023.db2.gz HUVIBFPWBSOPMS-JTQLQIEISA-N 1 2 296.400 0.008 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001322263392 911739299 /nfs/dbraw/zinc/73/92/99/911739299.db2.gz ZFZFADXPVZAFLG-YPMHNXCESA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001322263392 911739306 /nfs/dbraw/zinc/73/93/06/911739306.db2.gz ZFZFADXPVZAFLG-YPMHNXCESA-N 1 2 286.397 0.023 20 30 CCEDLO C[C@H](CC(=O)NCC[C@H](C)NCC#N)n1cc[nH+]c1 ZINC001328414343 915179285 /nfs/dbraw/zinc/17/92/85/915179285.db2.gz NWVUQMBXHSSCOC-NWDGAFQWSA-N 1 2 263.345 0.842 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001329440383 915916798 /nfs/dbraw/zinc/91/67/98/915916798.db2.gz GZLLXCFAMZLSAU-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001329440383 915916807 /nfs/dbraw/zinc/91/68/07/915916807.db2.gz GZLLXCFAMZLSAU-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329526568 915991365 /nfs/dbraw/zinc/99/13/65/915991365.db2.gz MJADIJWVJMPGQI-QMMMGPOBSA-N 1 2 256.269 0.679 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001400935734 915993159 /nfs/dbraw/zinc/99/31/59/915993159.db2.gz MIIRDIBQDLTEAH-QMTHXVAHSA-N 1 2 289.339 0.219 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001401202615 916108274 /nfs/dbraw/zinc/10/82/74/916108274.db2.gz NJDKQPPABNKCOL-ZJUUUORDSA-N 1 2 279.344 0.728 20 30 CCEDLO CCS(=O)(=O)C1CC[NH+](CCOCCC#N)CC1 ZINC001330334217 916557731 /nfs/dbraw/zinc/55/77/31/916557731.db2.gz KIRAOBHHOIPPCA-UHFFFAOYSA-N 1 2 274.386 0.816 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001330877156 916944953 /nfs/dbraw/zinc/94/49/53/916944953.db2.gz QPWAQVADLOELHP-RWMBFGLXSA-N 1 2 296.367 0.364 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@]2(CO)CCC[N@H+](CCF)C2)[nH]1 ZINC001402579909 917106064 /nfs/dbraw/zinc/10/60/64/917106064.db2.gz WZOBXTLXUAXXBG-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCF)C2)[nH]1 ZINC001402579909 917106076 /nfs/dbraw/zinc/10/60/76/917106076.db2.gz WZOBXTLXUAXXBG-AWEZNQCLSA-N 1 2 294.330 0.413 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC001402791400 917228310 /nfs/dbraw/zinc/22/83/10/917228310.db2.gz CYYINMPFSSZBNJ-PWSUYJOCSA-N 1 2 291.355 0.946 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC001402791400 917228320 /nfs/dbraw/zinc/22/83/20/917228320.db2.gz CYYINMPFSSZBNJ-PWSUYJOCSA-N 1 2 291.355 0.946 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001403791162 918010575 /nfs/dbraw/zinc/01/05/75/918010575.db2.gz OSRNACSOEIUZCX-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001403791162 918010594 /nfs/dbraw/zinc/01/05/94/918010594.db2.gz OSRNACSOEIUZCX-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C[C@H](COC)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC001332961182 918564604 /nfs/dbraw/zinc/56/46/04/918564604.db2.gz GYMIWWQMMVRITK-DGCLKSJQSA-N 1 2 266.345 0.748 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H]3CCO[C@H]3C2=O)C1 ZINC001333301629 918786280 /nfs/dbraw/zinc/78/62/80/918786280.db2.gz ZQGPPGCUZHPLPJ-JHJVBQTASA-N 1 2 263.341 0.817 20 30 CCEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H]3CCO[C@H]3C2=O)C1 ZINC001333301629 918786292 /nfs/dbraw/zinc/78/62/92/918786292.db2.gz ZQGPPGCUZHPLPJ-JHJVBQTASA-N 1 2 263.341 0.817 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc3c2COCC3)nn1 ZINC001335199724 920015490 /nfs/dbraw/zinc/01/54/90/920015490.db2.gz OUJRJRSPNMNLJC-UHFFFAOYSA-N 1 2 287.323 0.500 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)nc1 ZINC001336199847 920654070 /nfs/dbraw/zinc/65/40/70/920654070.db2.gz NVCWHGUCGUDJQB-UHFFFAOYSA-N 1 2 278.337 0.103 20 30 CCEDLO C=C(Cl)C[NH+]1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001336269204 920685487 /nfs/dbraw/zinc/68/54/87/920685487.db2.gz AWSYEBKCKFEEQD-RKDXNWHRSA-N 1 2 261.705 0.633 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001416939428 921067774 /nfs/dbraw/zinc/06/77/74/921067774.db2.gz HQRFKHSPKLWQQN-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001418178132 921873859 /nfs/dbraw/zinc/87/38/59/921873859.db2.gz NBUMLTJMJNTBFI-QATXWYEKSA-N 1 2 289.339 0.645 20 30 CCEDLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001418178132 921873872 /nfs/dbraw/zinc/87/38/72/921873872.db2.gz NBUMLTJMJNTBFI-QATXWYEKSA-N 1 2 289.339 0.645 20 30 CCEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)OC ZINC001340342067 922061562 /nfs/dbraw/zinc/06/15/62/922061562.db2.gz DZVMUWVSOXFLQC-UHFFFAOYSA-N 1 2 295.387 0.666 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC001418448108 922123624 /nfs/dbraw/zinc/12/36/24/922123624.db2.gz KGAMJIDHASZXJU-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC001418448108 922123634 /nfs/dbraw/zinc/12/36/34/922123634.db2.gz KGAMJIDHASZXJU-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001340702433 922175365 /nfs/dbraw/zinc/17/53/65/922175365.db2.gz RGKKOYDXTZMBED-WFASDCNBSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CCN(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001340702433 922175371 /nfs/dbraw/zinc/17/53/71/922175371.db2.gz RGKKOYDXTZMBED-WFASDCNBSA-N 1 2 289.383 0.445 20 30 CCEDLO C=CCn1c([C@@H](C)O)nnc1N(C)CC[NH+]1CCOCC1 ZINC001342118611 922811830 /nfs/dbraw/zinc/81/18/30/922811830.db2.gz ARPZPHKNPOGGLW-GFCCVEGCSA-N 1 2 295.387 0.286 20 30 CCEDLO COc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)on1 ZINC001419951288 923184502 /nfs/dbraw/zinc/18/45/02/923184502.db2.gz CPHCDWXBQPXNOP-JTQLQIEISA-N 1 2 280.328 0.733 20 30 CCEDLO COc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)on1 ZINC001419951288 923184510 /nfs/dbraw/zinc/18/45/10/923184510.db2.gz CPHCDWXBQPXNOP-JTQLQIEISA-N 1 2 280.328 0.733 20 30 CCEDLO CCc1nc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C#N)no1 ZINC001420066345 923279787 /nfs/dbraw/zinc/27/97/87/923279787.db2.gz IXQWYFVYVLDFRX-VHSXEESVSA-N 1 2 279.344 0.776 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O ZINC001420472719 923696296 /nfs/dbraw/zinc/69/62/96/923696296.db2.gz VSVXXTCAPYUCPB-GXSJLCMTSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O ZINC001420472719 923696304 /nfs/dbraw/zinc/69/63/04/923696304.db2.gz VSVXXTCAPYUCPB-GXSJLCMTSA-N 1 2 287.791 0.831 20 30 CCEDLO C=CCCC[C@@H]([NH3+])c1nc(CS(C)(=O)=O)no1 ZINC001345159788 923816526 /nfs/dbraw/zinc/81/65/26/923816526.db2.gz LQPNYTDWSPJNIQ-MRVPVSSYSA-N 1 2 259.331 0.970 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001420645864 923849465 /nfs/dbraw/zinc/84/94/65/923849465.db2.gz YRFARMGIMIQTPE-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001420645864 923849477 /nfs/dbraw/zinc/84/94/77/923849477.db2.gz YRFARMGIMIQTPE-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=CCC1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CCC1 ZINC001349079133 924881649 /nfs/dbraw/zinc/88/16/49/924881649.db2.gz KVGVMRQOWHRNGV-LBPRGKRZSA-N 1 2 290.367 0.929 20 30 CCEDLO C=CCC1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CCC1 ZINC001349079133 924881656 /nfs/dbraw/zinc/88/16/56/924881656.db2.gz KVGVMRQOWHRNGV-LBPRGKRZSA-N 1 2 290.367 0.929 20 30 CCEDLO C=C(C)Cn1nnnc1N(C)CC[NH+]1CCOCC1 ZINC001351020769 925340617 /nfs/dbraw/zinc/34/06/17/925340617.db2.gz LYNVNDYBHKVSDZ-UHFFFAOYSA-N 1 2 266.349 0.018 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001352677580 925619303 /nfs/dbraw/zinc/61/93/03/925619303.db2.gz MKEWBYWLXKFZOI-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001352677580 925619314 /nfs/dbraw/zinc/61/93/14/925619314.db2.gz MKEWBYWLXKFZOI-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)ncc1C#N ZINC001352910414 925668947 /nfs/dbraw/zinc/66/89/47/925668947.db2.gz GYAPRORGDYGOHK-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001413963421 926008596 /nfs/dbraw/zinc/00/85/96/926008596.db2.gz LIFIFGMAOQTUOK-UONOGXRCSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001413963421 926008608 /nfs/dbraw/zinc/00/86/08/926008608.db2.gz LIFIFGMAOQTUOK-UONOGXRCSA-N 1 2 287.319 0.728 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001355920725 926325529 /nfs/dbraw/zinc/32/55/29/926325529.db2.gz WQCGOUJGUKHRMQ-NWDGAFQWSA-N 1 2 277.372 0.824 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001355920725 926325539 /nfs/dbraw/zinc/32/55/39/926325539.db2.gz WQCGOUJGUKHRMQ-NWDGAFQWSA-N 1 2 277.372 0.824 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357990601 926618135 /nfs/dbraw/zinc/61/81/35/926618135.db2.gz ABPHMRRYLJJIJK-WAYWQWQTSA-N 1 2 290.367 0.953 20 30 CCEDLO CC1(C)CNC(=O)[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001414040973 926895367 /nfs/dbraw/zinc/89/53/67/926895367.db2.gz YFJXQCHUPDTIQC-VXGBXAGGSA-N 1 2 286.335 0.199 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001422222295 927156109 /nfs/dbraw/zinc/15/61/09/927156109.db2.gz HFNZMRREECUIBZ-UHFFFAOYSA-N 1 2 276.768 0.188 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001422222295 927156120 /nfs/dbraw/zinc/15/61/20/927156120.db2.gz HFNZMRREECUIBZ-UHFFFAOYSA-N 1 2 276.768 0.188 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422479564 927308969 /nfs/dbraw/zinc/30/89/69/927308969.db2.gz JRWLKTZMBYBMBN-NXEZZACHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422479564 927308984 /nfs/dbraw/zinc/30/89/84/927308984.db2.gz JRWLKTZMBYBMBN-NXEZZACHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001423554797 927919220 /nfs/dbraw/zinc/91/92/20/927919220.db2.gz XLGLKMAZAFDMTB-MFKMUULPSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001423554797 927919227 /nfs/dbraw/zinc/91/92/27/927919227.db2.gz XLGLKMAZAFDMTB-MFKMUULPSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ocnc2C)C1 ZINC001423739751 927969587 /nfs/dbraw/zinc/96/95/87/927969587.db2.gz JVIQYRVPSAYART-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ocnc2C)C1 ZINC001423739751 927969599 /nfs/dbraw/zinc/96/95/99/927969599.db2.gz JVIQYRVPSAYART-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO CC(C)N(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H](C)C#N ZINC001426106757 928764343 /nfs/dbraw/zinc/76/43/43/928764343.db2.gz UTBGSIQFFTVRQJ-GFCCVEGCSA-N 1 2 292.387 0.644 20 30 CCEDLO CC(C)N(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H](C)C#N ZINC001426106757 928764350 /nfs/dbraw/zinc/76/43/50/928764350.db2.gz UTBGSIQFFTVRQJ-GFCCVEGCSA-N 1 2 292.387 0.644 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(C#N)c1 ZINC001363054000 928812092 /nfs/dbraw/zinc/81/20/92/928812092.db2.gz PRBLNEBPUTWWTE-GFCCVEGCSA-N 1 2 270.292 0.755 20 30 CCEDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)ncc1C#N ZINC001363137552 928909806 /nfs/dbraw/zinc/90/98/06/928909806.db2.gz CDFMGQASQGRMOZ-GFCCVEGCSA-N 1 2 285.307 0.459 20 30 CCEDLO C[C@H](O)[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252914 929030318 /nfs/dbraw/zinc/03/03/18/929030318.db2.gz KONVLDFPAYODTA-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252914 929030330 /nfs/dbraw/zinc/03/03/30/929030330.db2.gz KONVLDFPAYODTA-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001429551002 929484557 /nfs/dbraw/zinc/48/45/57/929484557.db2.gz QBKLXQOKIVBRDV-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001429551002 929484565 /nfs/dbraw/zinc/48/45/65/929484565.db2.gz QBKLXQOKIVBRDV-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC(C)(C)C)C1 ZINC001443574494 929650517 /nfs/dbraw/zinc/65/05/17/929650517.db2.gz XSVQHTUOSSDUAC-JTQLQIEISA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001444002122 929764009 /nfs/dbraw/zinc/76/40/09/929764009.db2.gz ZSLYTVJQWIQAQC-UWVGGRQHSA-N 1 2 277.328 0.075 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445840520 930267996 /nfs/dbraw/zinc/26/79/96/930267996.db2.gz OHUAEEOSMAJRKC-ZJUUUORDSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445840520 930268003 /nfs/dbraw/zinc/26/80/03/930268003.db2.gz OHUAEEOSMAJRKC-ZJUUUORDSA-N 1 2 273.764 0.454 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC001451125063 931385319 /nfs/dbraw/zinc/38/53/19/931385319.db2.gz RENPCSMSORZHBG-GXSJLCMTSA-N 1 2 291.355 0.431 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092068157 349482756 /nfs/dbraw/zinc/48/27/56/349482756.db2.gz RHOWFFNRMREEKI-LLVKDONJSA-N 1 2 269.326 0.275 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092068157 349482757 /nfs/dbraw/zinc/48/27/57/349482757.db2.gz RHOWFFNRMREEKI-LLVKDONJSA-N 1 2 269.326 0.275 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599692183 361789972 /nfs/dbraw/zinc/78/99/72/361789972.db2.gz HZUTYYGTVUNWJR-HIFRSBDPSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000599692183 361789978 /nfs/dbraw/zinc/78/99/78/361789978.db2.gz HZUTYYGTVUNWJR-HIFRSBDPSA-N 1 2 297.399 0.732 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](CC(N)=O)C(C)C)c(C#N)c1C ZINC000097010350 185151600 /nfs/dbraw/zinc/15/16/00/185151600.db2.gz YLEGRXPKXADCFQ-UHFFFAOYSA-N 1 2 292.339 0.902 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](CC(N)=O)C(C)C)c(C#N)c1C ZINC000097010350 185151602 /nfs/dbraw/zinc/15/16/02/185151602.db2.gz YLEGRXPKXADCFQ-UHFFFAOYSA-N 1 2 292.339 0.902 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000600425198 361958518 /nfs/dbraw/zinc/95/85/18/361958518.db2.gz MZWYVZBKSCNKCH-CYBMUJFWSA-N 1 2 259.309 0.619 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000600425198 361958521 /nfs/dbraw/zinc/95/85/21/361958521.db2.gz MZWYVZBKSCNKCH-CYBMUJFWSA-N 1 2 259.309 0.619 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000600422686 361958680 /nfs/dbraw/zinc/95/86/80/361958680.db2.gz XNKQDSFCAKVWNZ-QWKFWESOSA-N 1 2 251.330 0.373 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000600422686 361958683 /nfs/dbraw/zinc/95/86/83/361958683.db2.gz XNKQDSFCAKVWNZ-QWKFWESOSA-N 1 2 251.330 0.373 20 30 CCEDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)CC2(C#N)CC2)n1 ZINC000600747815 362054144 /nfs/dbraw/zinc/05/41/44/362054144.db2.gz LDLMAKBJRYEPED-SNVBAGLBSA-N 1 2 278.360 0.572 20 30 CCEDLO N#CCCN1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000600891201 362089971 /nfs/dbraw/zinc/08/99/71/362089971.db2.gz UTQFEOSVXDBIAA-UHFFFAOYSA-N 1 2 290.371 0.514 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CC3(CC3)C2)CCO1 ZINC000601029107 362134891 /nfs/dbraw/zinc/13/48/91/362134891.db2.gz IVHBQZXLZSVXOW-LBPRGKRZSA-N 1 2 277.368 0.907 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CC3(CC3)C2)CCO1 ZINC000601029107 362134894 /nfs/dbraw/zinc/13/48/94/362134894.db2.gz IVHBQZXLZSVXOW-LBPRGKRZSA-N 1 2 277.368 0.907 20 30 CCEDLO CCN(CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000113288426 349808356 /nfs/dbraw/zinc/80/83/56/349808356.db2.gz CKPTWNWSDLGBSQ-UHFFFAOYSA-N 1 2 282.388 0.996 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488307375 529910101 /nfs/dbraw/zinc/91/01/01/529910101.db2.gz LFRAKFAQUYOZJN-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488307375 529910103 /nfs/dbraw/zinc/91/01/03/529910103.db2.gz LFRAKFAQUYOZJN-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1ccc(C#N)cc1 ZINC000601741843 362375460 /nfs/dbraw/zinc/37/54/60/362375460.db2.gz ZISNJAIFVHRBIG-HNNXBMFYSA-N 1 2 287.363 0.890 20 30 CCEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccc(C#N)cc1 ZINC000601741843 362375461 /nfs/dbraw/zinc/37/54/61/362375461.db2.gz ZISNJAIFVHRBIG-HNNXBMFYSA-N 1 2 287.363 0.890 20 30 CCEDLO Cc1nc[nH]c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000602085541 362477918 /nfs/dbraw/zinc/47/79/18/362477918.db2.gz IASKDVVOWATCKZ-UHFFFAOYSA-N 1 2 291.355 0.406 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602102972 362489742 /nfs/dbraw/zinc/48/97/42/362489742.db2.gz NAALMZQOKYSVTR-RKDXNWHRSA-N 1 2 262.269 0.038 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602102972 362489747 /nfs/dbraw/zinc/48/97/47/362489747.db2.gz NAALMZQOKYSVTR-RKDXNWHRSA-N 1 2 262.269 0.038 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)OC ZINC000602140011 362518814 /nfs/dbraw/zinc/51/88/14/362518814.db2.gz BOYYFLSCIZCLSL-CKYFFXLPSA-N 1 2 293.323 0.374 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)OC ZINC000602140011 362518820 /nfs/dbraw/zinc/51/88/20/362518820.db2.gz BOYYFLSCIZCLSL-CKYFFXLPSA-N 1 2 293.323 0.374 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000602200368 362554847 /nfs/dbraw/zinc/55/48/47/362554847.db2.gz MGOGUTLVOMIDCT-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO N#CCC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000602305616 362582370 /nfs/dbraw/zinc/58/23/70/362582370.db2.gz FZPQYQXDPBCFOR-JTQLQIEISA-N 1 2 259.313 0.801 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000602204342 362557059 /nfs/dbraw/zinc/55/70/59/362557059.db2.gz LQZVTUDOMOIPOA-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO COc1ccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)nn1 ZINC000602847363 362834722 /nfs/dbraw/zinc/83/47/22/362834722.db2.gz APZYVBKPMLISRK-RYUDHWBXSA-N 1 2 275.356 0.903 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858272 362843704 /nfs/dbraw/zinc/84/37/04/362843704.db2.gz QUPAPHMCVKSFOF-KBPBESRZSA-N 1 2 291.399 0.667 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)CC(=O)NC1CC1 ZINC000602859788 362845115 /nfs/dbraw/zinc/84/51/15/362845115.db2.gz AOILFCLGVPCMIH-VHSXEESVSA-N 1 2 266.345 0.004 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000602861803 362847568 /nfs/dbraw/zinc/84/75/68/362847568.db2.gz JJJFIDTTZDBGNC-DGCLKSJQSA-N 1 2 273.336 0.998 20 30 CCEDLO C[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257527 348084203 /nfs/dbraw/zinc/08/42/03/348084203.db2.gz PLTQMLWGZKWYAO-LBPRGKRZSA-N 1 2 272.352 0.550 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257527 348084206 /nfs/dbraw/zinc/08/42/06/348084206.db2.gz PLTQMLWGZKWYAO-LBPRGKRZSA-N 1 2 272.352 0.550 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423057 348090429 /nfs/dbraw/zinc/09/04/29/348090429.db2.gz NDVQUYHAPLZLIV-CQSZACIVSA-N 1 2 271.364 0.947 20 30 CCEDLO N#CCN(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000602880555 362860628 /nfs/dbraw/zinc/86/06/28/362860628.db2.gz HADVRPYXGIQJIA-GFCCVEGCSA-N 1 2 255.387 0.650 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898260 362873185 /nfs/dbraw/zinc/87/31/85/362873185.db2.gz QGZRXVJJFHVXPP-DZGCQCFKSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898260 362873187 /nfs/dbraw/zinc/87/31/87/362873187.db2.gz QGZRXVJJFHVXPP-DZGCQCFKSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898261 362873192 /nfs/dbraw/zinc/87/31/92/362873192.db2.gz QGZRXVJJFHVXPP-HIFRSBDPSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000602898261 362873193 /nfs/dbraw/zinc/87/31/93/362873193.db2.gz QGZRXVJJFHVXPP-HIFRSBDPSA-N 1 2 292.335 0.603 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCOCCC#N ZINC000602941337 362900324 /nfs/dbraw/zinc/90/03/24/362900324.db2.gz LXRFTMGCUIVGBA-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCOCCC#N ZINC000602941337 362900330 /nfs/dbraw/zinc/90/03/30/362900330.db2.gz LXRFTMGCUIVGBA-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC#N)CC1 ZINC000046511908 348358988 /nfs/dbraw/zinc/35/89/88/348358988.db2.gz LQPDOBIJUMPCQJ-CYBMUJFWSA-N 1 2 264.373 0.529 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975155 362917613 /nfs/dbraw/zinc/91/76/13/362917613.db2.gz YSVSSJXMTQTGKU-GHMZBOCLSA-N 1 2 266.345 0.846 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975155 362917622 /nfs/dbraw/zinc/91/76/22/362917622.db2.gz YSVSSJXMTQTGKU-GHMZBOCLSA-N 1 2 266.345 0.846 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977770 362918778 /nfs/dbraw/zinc/91/87/78/362918778.db2.gz HCDBZCMTSMPTPX-MNOVXSKESA-N 1 2 259.375 0.550 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977770 362918781 /nfs/dbraw/zinc/91/87/81/362918781.db2.gz HCDBZCMTSMPTPX-MNOVXSKESA-N 1 2 259.375 0.550 20 30 CCEDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCOCCC#N ZINC000602941343 362900476 /nfs/dbraw/zinc/90/04/76/362900476.db2.gz LXRFTMGCUIVGBA-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCOCCC#N ZINC000602941343 362900483 /nfs/dbraw/zinc/90/04/83/362900483.db2.gz LXRFTMGCUIVGBA-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO Cc1ccnc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000273368640 192128070 /nfs/dbraw/zinc/12/80/70/192128070.db2.gz RLTIDRIOLHMVES-ZDUSSCGKSA-N 1 2 290.367 0.391 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000051102514 348484047 /nfs/dbraw/zinc/48/40/47/348484047.db2.gz UAVSCCOXHIUKHI-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000051102514 348484048 /nfs/dbraw/zinc/48/40/48/348484048.db2.gz UAVSCCOXHIUKHI-ZDUSSCGKSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000055544642 348579121 /nfs/dbraw/zinc/57/91/21/348579121.db2.gz HIHYBSYIFLPXJQ-UHFFFAOYSA-N 1 2 287.363 0.939 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1C#N ZINC000061784788 348660309 /nfs/dbraw/zinc/66/03/09/348660309.db2.gz ZWAMOKSAMSRXDA-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1C#N ZINC000061784788 348660311 /nfs/dbraw/zinc/66/03/11/348660311.db2.gz ZWAMOKSAMSRXDA-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000066864140 348757966 /nfs/dbraw/zinc/75/79/66/348757966.db2.gz HRBLZIAUIVEHSQ-NSHDSACASA-N 1 2 253.346 0.361 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000066864140 348757968 /nfs/dbraw/zinc/75/79/68/348757968.db2.gz HRBLZIAUIVEHSQ-NSHDSACASA-N 1 2 253.346 0.361 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893459 348758667 /nfs/dbraw/zinc/75/86/67/348758667.db2.gz ZTWSDKLFTFCYLM-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893459 348758671 /nfs/dbraw/zinc/75/86/71/348758671.db2.gz ZTWSDKLFTFCYLM-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000076650010 349088313 /nfs/dbraw/zinc/08/83/13/349088313.db2.gz AODWINQDSFYTEG-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000076650010 349088318 /nfs/dbraw/zinc/08/83/18/349088318.db2.gz AODWINQDSFYTEG-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000078992096 349162700 /nfs/dbraw/zinc/16/27/00/349162700.db2.gz CGVFLDMORIPJGD-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603088828 362956750 /nfs/dbraw/zinc/95/67/50/362956750.db2.gz QNNJABATEVCWGM-YRGRVCCFSA-N 1 2 257.293 0.151 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603088828 362956758 /nfs/dbraw/zinc/95/67/58/362956758.db2.gz QNNJABATEVCWGM-YRGRVCCFSA-N 1 2 257.293 0.151 20 30 CCEDLO CN(Cc1[nH+]ccn1C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153320139 350556798 /nfs/dbraw/zinc/55/67/98/350556798.db2.gz ZHRUPQCVBROCDY-CQSZACIVSA-N 1 2 283.335 0.950 20 30 CCEDLO C=CC[N@@H+](CCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000173359648 351036541 /nfs/dbraw/zinc/03/65/41/351036541.db2.gz CWZRUTALNYRVHD-LLVKDONJSA-N 1 2 275.370 0.615 20 30 CCEDLO C=CC[N@H+](CCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000173359648 351036544 /nfs/dbraw/zinc/03/65/44/351036544.db2.gz CWZRUTALNYRVHD-LLVKDONJSA-N 1 2 275.370 0.615 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000174051872 351068383 /nfs/dbraw/zinc/06/83/83/351068383.db2.gz CCESLIKFDZYSQU-GFCCVEGCSA-N 1 2 278.356 0.918 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000174528906 351090698 /nfs/dbraw/zinc/09/06/98/351090698.db2.gz KGDKWFXNPHDZBX-AWEZNQCLSA-N 1 2 290.363 0.499 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000176049046 351154656 /nfs/dbraw/zinc/15/46/56/351154656.db2.gz BWJACPNZZVHHLU-UHFFFAOYSA-N 1 2 290.367 0.691 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603233735 363014866 /nfs/dbraw/zinc/01/48/66/363014866.db2.gz KGXSPQXYLXBVOW-CYBMUJFWSA-N 1 2 294.355 0.789 20 30 CCEDLO C=CCOCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000618526804 366039083 /nfs/dbraw/zinc/03/90/83/366039083.db2.gz SFVVCHOHWKGPLA-UHFFFAOYSA-N 1 2 282.384 0.950 20 30 CCEDLO C#CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265094638 352618840 /nfs/dbraw/zinc/61/88/40/352618840.db2.gz VEDSCDVZRFAJCJ-UHFFFAOYSA-N 1 2 258.325 0.937 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264813390 352599737 /nfs/dbraw/zinc/59/97/37/352599737.db2.gz YNOPSGHNMSCTGR-MOEXGYKKSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264813390 352599739 /nfs/dbraw/zinc/59/97/39/352599739.db2.gz YNOPSGHNMSCTGR-MOEXGYKKSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264813389 352600116 /nfs/dbraw/zinc/60/01/16/352600116.db2.gz YNOPSGHNMSCTGR-FYCOFBDGSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264813389 352600119 /nfs/dbraw/zinc/60/01/19/352600119.db2.gz YNOPSGHNMSCTGR-FYCOFBDGSA-N 1 2 298.390 0.933 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000266967265 352736458 /nfs/dbraw/zinc/73/64/58/352736458.db2.gz YQUHMHQHFJUXFL-UHFFFAOYSA-N 1 2 292.339 0.490 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000266967265 352736459 /nfs/dbraw/zinc/73/64/59/352736459.db2.gz YQUHMHQHFJUXFL-UHFFFAOYSA-N 1 2 292.339 0.490 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(F)c1C#N ZINC000267543393 352773211 /nfs/dbraw/zinc/77/32/11/352773211.db2.gz PXZYYFVZDUHRFQ-LBPRGKRZSA-N 1 2 293.342 0.827 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267725359 352786433 /nfs/dbraw/zinc/78/64/33/352786433.db2.gz ZGYSIFRKLVGSFB-AWEZNQCLSA-N 1 2 286.347 0.998 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267725359 352786434 /nfs/dbraw/zinc/78/64/34/352786434.db2.gz ZGYSIFRKLVGSFB-AWEZNQCLSA-N 1 2 286.347 0.998 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274369958 353123547 /nfs/dbraw/zinc/12/35/47/353123547.db2.gz VJHZNGZJTKJZKS-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000280670436 353374827 /nfs/dbraw/zinc/37/48/27/353374827.db2.gz YHQCOVXPPIQXGQ-SNVBAGLBSA-N 1 2 277.324 0.910 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282643770 353441556 /nfs/dbraw/zinc/44/15/56/353441556.db2.gz FGELNFUPZPTGNM-ZDUSSCGKSA-N 1 2 272.352 0.931 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2C)CC1 ZINC000296072948 353930066 /nfs/dbraw/zinc/93/00/66/353930066.db2.gz WSPVJTBBLQQVFQ-CYBMUJFWSA-N 1 2 289.383 0.812 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cn[nH]n3)CC2)cc1 ZINC000296226472 353937573 /nfs/dbraw/zinc/93/75/73/353937573.db2.gz DOXXTACBZQPFTC-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c[nH]nn3)CC2)cc1 ZINC000296226472 353937575 /nfs/dbraw/zinc/93/75/75/353937575.db2.gz DOXXTACBZQPFTC-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cccnc1C#N ZINC000295527880 353900446 /nfs/dbraw/zinc/90/04/46/353900446.db2.gz QAEZEKFPLGWYMK-UHFFFAOYSA-N 1 2 291.336 0.648 20 30 CCEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1C#N ZINC000556834854 291011817 /nfs/dbraw/zinc/01/18/17/291011817.db2.gz PBMVAKZMGOWJCG-ZIAGYGMSSA-N 1 2 290.319 0.536 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1C#N ZINC000556834854 291011820 /nfs/dbraw/zinc/01/18/20/291011820.db2.gz PBMVAKZMGOWJCG-ZIAGYGMSSA-N 1 2 290.319 0.536 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC[C@H](O)C1 ZINC000295544145 353902778 /nfs/dbraw/zinc/90/27/78/353902778.db2.gz JWDOZTFGSIPOQO-SMDDNHRTSA-N 1 2 289.335 0.578 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC[C@H](O)C1 ZINC000295544145 353902783 /nfs/dbraw/zinc/90/27/83/353902783.db2.gz JWDOZTFGSIPOQO-SMDDNHRTSA-N 1 2 289.335 0.578 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C3CC3)C[C@@H]21 ZINC000329747108 283000112 /nfs/dbraw/zinc/00/01/12/283000112.db2.gz ZDOHDRNTMCVJBI-RQJABVFESA-N 1 2 295.383 0.483 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C3CC3)C[C@@H]21 ZINC000329747108 283000115 /nfs/dbraw/zinc/00/01/15/283000115.db2.gz ZDOHDRNTMCVJBI-RQJABVFESA-N 1 2 295.383 0.483 20 30 CCEDLO CCN1CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328628925 354241408 /nfs/dbraw/zinc/24/14/08/354241408.db2.gz OERCTUXHCQCHTF-CMPLNLGQSA-N 1 2 293.371 0.980 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)cc1C#N ZINC000331367745 354555068 /nfs/dbraw/zinc/55/50/68/354555068.db2.gz BNIRCTRWXUGIHW-AWEZNQCLSA-N 1 2 286.339 0.389 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)cc1C#N ZINC000331367745 354555071 /nfs/dbraw/zinc/55/50/71/354555071.db2.gz BNIRCTRWXUGIHW-AWEZNQCLSA-N 1 2 286.339 0.389 20 30 CCEDLO C#CCSCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271800908 191335887 /nfs/dbraw/zinc/33/58/87/191335887.db2.gz PCZXKKAABSLWAB-UHFFFAOYSA-N 1 2 266.370 0.928 20 30 CCEDLO Cc1cc(NCC2(CS(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000425229127 235275524 /nfs/dbraw/zinc/27/55/24/235275524.db2.gz KYNOHCASSNPYST-UHFFFAOYSA-N 1 2 279.365 0.920 20 30 CCEDLO Cc1cc(N[C@H]2CCCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000425240137 235276652 /nfs/dbraw/zinc/27/66/52/235276652.db2.gz YEJBYJIKAPCBNY-NSHDSACASA-N 1 2 259.313 0.639 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000426332956 235332599 /nfs/dbraw/zinc/33/25/99/235332599.db2.gz XZVQVJSYCVAEBJ-UHFFFAOYSA-N 1 2 293.290 0.974 20 30 CCEDLO Cn1ccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000345413386 355820614 /nfs/dbraw/zinc/82/06/14/355820614.db2.gz ZOCWCCMEZJXRET-UHFFFAOYSA-N 1 2 277.372 0.468 20 30 CCEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000349735671 355993325 /nfs/dbraw/zinc/99/33/25/355993325.db2.gz YMPIMRJSUKWZAY-UHFFFAOYSA-N 1 2 289.379 0.854 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000352731783 356066228 /nfs/dbraw/zinc/06/62/28/356066228.db2.gz UKRYPCAKZGNICX-UHFFFAOYSA-N 1 2 277.309 0.165 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000619719908 366339842 /nfs/dbraw/zinc/33/98/42/366339842.db2.gz MDKASGPJUMJHMZ-VXGBXAGGSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000619719908 366339851 /nfs/dbraw/zinc/33/98/51/366339851.db2.gz MDKASGPJUMJHMZ-VXGBXAGGSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000619721825 366341222 /nfs/dbraw/zinc/34/12/22/366341222.db2.gz INLCBQXYYNOXLM-DTWKUNHWSA-N 1 2 294.273 0.714 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000619721825 366341227 /nfs/dbraw/zinc/34/12/27/366341227.db2.gz INLCBQXYYNOXLM-DTWKUNHWSA-N 1 2 294.273 0.714 20 30 CCEDLO N#Cc1csc(CN2CC[NH+](CCO)CC2)n1 ZINC000356049472 356692123 /nfs/dbraw/zinc/69/21/23/356692123.db2.gz DBRKOCYYDIUVFA-UHFFFAOYSA-N 1 2 252.343 0.125 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H]1C ZINC000619712596 366331781 /nfs/dbraw/zinc/33/17/81/366331781.db2.gz ICLJTXVBRBPICF-RYUDHWBXSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H]1C ZINC000619712596 366331786 /nfs/dbraw/zinc/33/17/86/366331786.db2.gz ICLJTXVBRBPICF-RYUDHWBXSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]1C ZINC000619750954 366348689 /nfs/dbraw/zinc/34/86/89/366348689.db2.gz CTYIGDSZJPPFJJ-VXGBXAGGSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]1C ZINC000619750954 366348693 /nfs/dbraw/zinc/34/86/93/366348693.db2.gz CTYIGDSZJPPFJJ-VXGBXAGGSA-N 1 2 288.417 0.491 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363631339 357062607 /nfs/dbraw/zinc/06/26/07/357062607.db2.gz KTIVEDOJIZBQFN-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363631339 357062610 /nfs/dbraw/zinc/06/26/10/357062610.db2.gz KTIVEDOJIZBQFN-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000400102086 357786535 /nfs/dbraw/zinc/78/65/35/357786535.db2.gz AUBRVSUBNAGCJD-QMMMGPOBSA-N 1 2 286.382 0.138 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000294489141 199059668 /nfs/dbraw/zinc/05/96/68/199059668.db2.gz PNIMTVSSRFIQPB-CQSZACIVSA-N 1 2 287.363 0.764 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)CC)CC1 ZINC000294578456 199094034 /nfs/dbraw/zinc/09/40/34/199094034.db2.gz MFWJWEXTCUQUNK-WYMLVPIESA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)CC)CC1 ZINC000294578456 199094035 /nfs/dbraw/zinc/09/40/35/199094035.db2.gz MFWJWEXTCUQUNK-WYMLVPIESA-N 1 2 291.395 0.626 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000570212217 358834749 /nfs/dbraw/zinc/83/47/49/358834749.db2.gz YFIFBVYVPVSHHR-NSHDSACASA-N 1 2 298.350 0.654 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000570212217 358834752 /nfs/dbraw/zinc/83/47/52/358834752.db2.gz YFIFBVYVPVSHHR-NSHDSACASA-N 1 2 298.350 0.654 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000570600163 358873770 /nfs/dbraw/zinc/87/37/70/358873770.db2.gz NRXNIGDEEBRXCU-TZMCWYRMSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000570600163 358873774 /nfs/dbraw/zinc/87/37/74/358873774.db2.gz NRXNIGDEEBRXCU-TZMCWYRMSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000570600161 358873995 /nfs/dbraw/zinc/87/39/95/358873995.db2.gz NRXNIGDEEBRXCU-JSGCOSHPSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000570600161 358873996 /nfs/dbraw/zinc/87/39/96/358873996.db2.gz NRXNIGDEEBRXCU-JSGCOSHPSA-N 1 2 289.335 0.172 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[NH+]1CCOCC1 ZINC000574126393 359031067 /nfs/dbraw/zinc/03/10/67/359031067.db2.gz TUJRARCDKITCTM-UHFFFAOYSA-N 1 2 274.324 0.324 20 30 CCEDLO Cc1cccnc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574169304 359036055 /nfs/dbraw/zinc/03/60/55/359036055.db2.gz GEMGGSRBHHSPPM-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000573991564 359019055 /nfs/dbraw/zinc/01/90/55/359019055.db2.gz SUVRPHKCTWVBEH-UPJWGTAASA-N 1 2 280.372 0.651 20 30 CCEDLO CCOC1CC(CNC(=O)CC#N)([NH+]2CCOCC2)C1 ZINC000584568919 359172906 /nfs/dbraw/zinc/17/29/06/359172906.db2.gz RJAGWVUOFTXHOW-UHFFFAOYSA-N 1 2 281.356 0.286 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000586786068 359290518 /nfs/dbraw/zinc/29/05/18/359290518.db2.gz DRMWQBTXJASVEF-NSHDSACASA-N 1 2 269.308 0.838 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c[nH]1 ZINC000586786084 359290690 /nfs/dbraw/zinc/29/06/90/359290690.db2.gz NNSJJKLOIPSBLA-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589190843 359368152 /nfs/dbraw/zinc/36/81/52/359368152.db2.gz DIKDDPHYWACBEW-YGRLFVJLSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589190843 359368157 /nfs/dbraw/zinc/36/81/57/359368157.db2.gz DIKDDPHYWACBEW-YGRLFVJLSA-N 1 2 289.335 0.713 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589387389 359379697 /nfs/dbraw/zinc/37/96/97/359379697.db2.gz VGPKNNVOELOOGT-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589387389 359379701 /nfs/dbraw/zinc/37/97/01/359379701.db2.gz VGPKNNVOELOOGT-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590153410 359426876 /nfs/dbraw/zinc/42/68/76/359426876.db2.gz ICGNHWMNCYSXDC-NWDGAFQWSA-N 1 2 286.401 0.103 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1(C#N)CC1 ZINC000590356032 359442911 /nfs/dbraw/zinc/44/29/11/359442911.db2.gz KZINQIQWDZQVKU-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1[C@H](O)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000590762364 359519977 /nfs/dbraw/zinc/51/99/77/359519977.db2.gz UWDLFWOFCFBAOX-BXUZGUMPSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1[C@H](O)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000590762364 359519979 /nfs/dbraw/zinc/51/99/79/359519979.db2.gz UWDLFWOFCFBAOX-BXUZGUMPSA-N 1 2 294.376 0.787 20 30 CCEDLO Cc1cc(CNC[C@H](O)C[N@H+](C)CCC#N)no1 ZINC000591728495 359649004 /nfs/dbraw/zinc/64/90/04/359649004.db2.gz MSUYOKAKKZIZHA-LBPRGKRZSA-N 1 2 252.318 0.279 20 30 CCEDLO Cc1cc(CNC[C@H](O)C[N@@H+](C)CCC#N)no1 ZINC000591728495 359649007 /nfs/dbraw/zinc/64/90/07/359649007.db2.gz MSUYOKAKKZIZHA-LBPRGKRZSA-N 1 2 252.318 0.279 20 30 CCEDLO Cc1cc(N2CCC3(CC2)NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000591817969 359662424 /nfs/dbraw/zinc/66/24/24/359662424.db2.gz AOXSTWIVYVZXST-UHFFFAOYSA-N 1 2 285.307 0.440 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000591850806 359664678 /nfs/dbraw/zinc/66/46/78/359664678.db2.gz INNLCLLLQGMRQJ-WDEREUQCSA-N 1 2 250.302 0.643 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000591850806 359664683 /nfs/dbraw/zinc/66/46/83/359664683.db2.gz INNLCLLLQGMRQJ-WDEREUQCSA-N 1 2 250.302 0.643 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000591855686 359664953 /nfs/dbraw/zinc/66/49/53/359664953.db2.gz YDQUULHQKPMVAS-JTQLQIEISA-N 1 2 267.329 0.204 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000592080065 359751341 /nfs/dbraw/zinc/75/13/41/359751341.db2.gz LFGLCXXNEYZQEM-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000592080065 359751343 /nfs/dbraw/zinc/75/13/43/359751343.db2.gz LFGLCXXNEYZQEM-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO COCC(=O)NC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592060468 359745150 /nfs/dbraw/zinc/74/51/50/359745150.db2.gz MZGPMMBPSOATTF-UHFFFAOYSA-N 1 2 288.351 0.680 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000592071704 359745788 /nfs/dbraw/zinc/74/57/88/359745788.db2.gz QFBIIUWQOVBBHX-NSHDSACASA-N 1 2 294.380 0.454 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000592071704 359745790 /nfs/dbraw/zinc/74/57/90/359745790.db2.gz QFBIIUWQOVBBHX-NSHDSACASA-N 1 2 294.380 0.454 20 30 CCEDLO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150723 359769391 /nfs/dbraw/zinc/76/93/91/359769391.db2.gz HZYJABVATAELJI-INIZCTEOSA-N 1 2 287.363 0.962 20 30 CCEDLO Cc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150723 359769395 /nfs/dbraw/zinc/76/93/95/359769395.db2.gz HZYJABVATAELJI-INIZCTEOSA-N 1 2 287.363 0.962 20 30 CCEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174996 363670906 /nfs/dbraw/zinc/67/09/06/363670906.db2.gz QYMQPFLZJVBITN-CYBMUJFWSA-N 1 2 266.389 0.773 20 30 CCEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176320 363672109 /nfs/dbraw/zinc/67/21/09/363672109.db2.gz ZKZYWDQSDXWNGG-QWHCGFSZSA-N 1 2 266.389 0.821 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([NH2+][C@H](C)CC#N)C1=O ZINC000611229633 363689192 /nfs/dbraw/zinc/68/91/92/363689192.db2.gz QSCTYTILKATXFM-NXEZZACHSA-N 1 2 253.302 0.042 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000298060230 200325690 /nfs/dbraw/zinc/32/56/90/200325690.db2.gz KYSYOOVUNZKBNJ-STQMWFEESA-N 1 2 290.367 0.937 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000593016151 360015324 /nfs/dbraw/zinc/01/53/24/360015324.db2.gz JJHXUXLXHUPQSK-TXEJJXNPSA-N 1 2 277.280 0.394 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000593016151 360015327 /nfs/dbraw/zinc/01/53/27/360015327.db2.gz JJHXUXLXHUPQSK-TXEJJXNPSA-N 1 2 277.280 0.394 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2n1CCCC2 ZINC000593153231 360048665 /nfs/dbraw/zinc/04/86/65/360048665.db2.gz PRDJQMOYNXDPOQ-AWEZNQCLSA-N 1 2 275.356 0.793 20 30 CCEDLO CCc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000593155205 360048854 /nfs/dbraw/zinc/04/88/54/360048854.db2.gz AHDXFYAXESVGGB-ZDUSSCGKSA-N 1 2 263.345 0.556 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000593066653 360026866 /nfs/dbraw/zinc/02/68/66/360026866.db2.gz PNZYTTRUNSBCSD-ZIAGYGMSSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000593066653 360026867 /nfs/dbraw/zinc/02/68/67/360026867.db2.gz PNZYTTRUNSBCSD-ZIAGYGMSSA-N 1 2 289.335 0.578 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093336 360034442 /nfs/dbraw/zinc/03/44/42/360034442.db2.gz DWPFPAIXOKRTRS-UJEDGZGLSA-N 1 2 283.397 0.246 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093336 360034445 /nfs/dbraw/zinc/03/44/45/360034445.db2.gz DWPFPAIXOKRTRS-UJEDGZGLSA-N 1 2 283.397 0.246 20 30 CCEDLO N#Cc1sccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000593566325 360114206 /nfs/dbraw/zinc/11/42/06/360114206.db2.gz LEUCXFXZZNYBBH-UHFFFAOYSA-N 1 2 271.367 0.604 20 30 CCEDLO N#Cc1cc(CN2CC[NH+](CC(N)=O)CC2)ccc1F ZINC000176826026 189010279 /nfs/dbraw/zinc/01/02/79/189010279.db2.gz KZQIWQLJZTVRCR-UHFFFAOYSA-N 1 2 276.315 0.300 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2nc(C#N)ccc2C)CC1 ZINC000611399241 363713775 /nfs/dbraw/zinc/71/37/75/363713775.db2.gz CNQPAIPXECPEOX-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO C=C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)C(=O)OC ZINC000594709753 360363785 /nfs/dbraw/zinc/36/37/85/360363785.db2.gz HNIRRKMJXODBSM-JTQLQIEISA-N 1 2 275.370 0.519 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000611516823 363730366 /nfs/dbraw/zinc/73/03/66/363730366.db2.gz LMKBGJRBANMSTI-ZIAGYGMSSA-N 1 2 278.400 0.773 20 30 CCEDLO Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2[nH+]1 ZINC000595007238 360431918 /nfs/dbraw/zinc/43/19/18/360431918.db2.gz KQXFIHCZUCZAHG-SECBINFHSA-N 1 2 285.307 1.000 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000595331845 360498445 /nfs/dbraw/zinc/49/84/45/360498445.db2.gz FPIZUMOHNWRTFP-GFCCVEGCSA-N 1 2 281.356 0.776 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000595331845 360498451 /nfs/dbraw/zinc/49/84/51/360498451.db2.gz FPIZUMOHNWRTFP-GFCCVEGCSA-N 1 2 281.356 0.776 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595401576 360521291 /nfs/dbraw/zinc/52/12/91/360521291.db2.gz LJOZDGBNFBEPNI-VIFPVBQESA-N 1 2 265.317 0.242 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1[nH+]ccn1C ZINC000595382913 360514235 /nfs/dbraw/zinc/51/42/35/360514235.db2.gz KXZBOSSMKBEGHV-QMMMGPOBSA-N 1 2 280.309 0.924 20 30 CCEDLO CN1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCC1=O ZINC000595783696 360654819 /nfs/dbraw/zinc/65/48/19/360654819.db2.gz PZERPYPBJQBVBP-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCC1=O ZINC000595783696 360654822 /nfs/dbraw/zinc/65/48/22/360654822.db2.gz PZERPYPBJQBVBP-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO C[N@H+](C[C@@H]1COCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736951 360634130 /nfs/dbraw/zinc/63/41/30/360634130.db2.gz ODJAFSARIJGKEK-KGLIPLIRSA-N 1 2 289.335 0.432 20 30 CCEDLO C[N@@H+](C[C@@H]1COCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736951 360634136 /nfs/dbraw/zinc/63/41/36/360634136.db2.gz ODJAFSARIJGKEK-KGLIPLIRSA-N 1 2 289.335 0.432 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838367 360674794 /nfs/dbraw/zinc/67/47/94/360674794.db2.gz AZHZFKKYPUIGKI-LALPHHSUSA-N 1 2 292.383 0.334 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838367 360674795 /nfs/dbraw/zinc/67/47/95/360674795.db2.gz AZHZFKKYPUIGKI-LALPHHSUSA-N 1 2 292.383 0.334 20 30 CCEDLO CN1CC(=O)N(CC[N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841105 360676505 /nfs/dbraw/zinc/67/65/05/360676505.db2.gz HXOMUNARXHCBDC-LBPRGKRZSA-N 1 2 250.302 0.116 20 30 CCEDLO CN1CC(=O)N(CC[N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841105 360676512 /nfs/dbraw/zinc/67/65/12/360676512.db2.gz HXOMUNARXHCBDC-LBPRGKRZSA-N 1 2 250.302 0.116 20 30 CCEDLO C[N@@H+]1CC[C@@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596196094 360828909 /nfs/dbraw/zinc/82/89/09/360828909.db2.gz ISCVCPDUXWURCY-SNVBAGLBSA-N 1 2 272.761 0.569 20 30 CCEDLO C[N@H+]1CC[C@@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596196094 360828919 /nfs/dbraw/zinc/82/89/19/360828919.db2.gz ISCVCPDUXWURCY-SNVBAGLBSA-N 1 2 272.761 0.569 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000597167815 361021937 /nfs/dbraw/zinc/02/19/37/361021937.db2.gz ZRPYXEKWUNVECX-NEPJUHHUSA-N 1 2 252.362 0.288 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(CC#N)CC1)C2 ZINC000597275230 361049755 /nfs/dbraw/zinc/04/97/55/361049755.db2.gz TTWOOJXXPNWOQW-GFCCVEGCSA-N 1 2 287.367 0.491 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(CC#N)CC1)CC2 ZINC000597275230 361049756 /nfs/dbraw/zinc/04/97/56/361049756.db2.gz TTWOOJXXPNWOQW-GFCCVEGCSA-N 1 2 287.367 0.491 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000597571033 361141998 /nfs/dbraw/zinc/14/19/98/361141998.db2.gz IXGYVCAUNYOIDI-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)[C@H](C)CO1 ZINC000597998670 361305784 /nfs/dbraw/zinc/30/57/84/361305784.db2.gz PYUXSSIRONEHTH-CHWSQXEVSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)[C@H](C)CO1 ZINC000597998670 361305788 /nfs/dbraw/zinc/30/57/88/361305788.db2.gz PYUXSSIRONEHTH-CHWSQXEVSA-N 1 2 295.383 0.532 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncoc1-c1ccon1 ZINC000598836450 361523386 /nfs/dbraw/zinc/52/33/86/361523386.db2.gz JJNVPYKEGJFTBD-ZDUSSCGKSA-N 1 2 289.295 0.903 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c[nH]1 ZINC000598947723 361537845 /nfs/dbraw/zinc/53/78/45/361537845.db2.gz NBTDSZVPFQELLD-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259096 361624148 /nfs/dbraw/zinc/62/41/48/361624148.db2.gz KUHQMVFMRYUHNO-NSHDSACASA-N 1 2 270.329 0.163 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259096 361624157 /nfs/dbraw/zinc/62/41/57/361624157.db2.gz KUHQMVFMRYUHNO-NSHDSACASA-N 1 2 270.329 0.163 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599377116 361673597 /nfs/dbraw/zinc/67/35/97/361673597.db2.gz HLYINZMOAHQXSU-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599377116 361673603 /nfs/dbraw/zinc/67/36/03/361673603.db2.gz HLYINZMOAHQXSU-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000599455358 361709475 /nfs/dbraw/zinc/70/94/75/361709475.db2.gz NGXLWPZUCIIQPG-CYBMUJFWSA-N 1 2 253.346 0.499 20 30 CCEDLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000599455358 361709479 /nfs/dbraw/zinc/70/94/79/361709479.db2.gz NGXLWPZUCIIQPG-CYBMUJFWSA-N 1 2 253.346 0.499 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000614366573 364586182 /nfs/dbraw/zinc/58/61/82/364586182.db2.gz JNOAZRBLGGYSCJ-GHMZBOCLSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCCOCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615553717 365004681 /nfs/dbraw/zinc/00/46/81/365004681.db2.gz SMZQICDZCCLJKF-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616102154 365179146 /nfs/dbraw/zinc/17/91/46/365179146.db2.gz YAIHBZCZTGDCQG-IJLUTSLNSA-N 1 2 263.341 0.967 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623986240 367717784 /nfs/dbraw/zinc/71/77/84/367717784.db2.gz QOWJRQMRFJQNDH-MCIONIFRSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623986240 367717789 /nfs/dbraw/zinc/71/77/89/367717789.db2.gz QOWJRQMRFJQNDH-MCIONIFRSA-N 1 2 297.399 0.597 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1C#N ZINC000330626061 203055267 /nfs/dbraw/zinc/05/52/67/203055267.db2.gz IKZJUJPPKXUFED-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1C#N ZINC000330626061 203055270 /nfs/dbraw/zinc/05/52/70/203055270.db2.gz IKZJUJPPKXUFED-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1C#N ZINC000330626060 203055762 /nfs/dbraw/zinc/05/57/62/203055762.db2.gz IKZJUJPPKXUFED-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1C#N ZINC000330626060 203055765 /nfs/dbraw/zinc/05/57/65/203055765.db2.gz IKZJUJPPKXUFED-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO C=CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577531 369327182 /nfs/dbraw/zinc/32/71/82/369327182.db2.gz RKXNNTUXHGUYEQ-HNNXBMFYSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577531 369327186 /nfs/dbraw/zinc/32/71/86/369327186.db2.gz RKXNNTUXHGUYEQ-HNNXBMFYSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915618 369454896 /nfs/dbraw/zinc/45/48/96/369454896.db2.gz TULIRBSCAQEKCE-JSGCOSHPSA-N 1 2 270.373 0.662 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915618 369454898 /nfs/dbraw/zinc/45/48/98/369454898.db2.gz TULIRBSCAQEKCE-JSGCOSHPSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CC[N@H+](Cc1nnc2n1CCOC2)[C@H](C)COC ZINC000656403574 412790058 /nfs/dbraw/zinc/79/00/58/412790058.db2.gz TVAATNXOMTYKME-LLVKDONJSA-N 1 2 266.345 0.831 20 30 CCEDLO C=CC[N@@H+](Cc1nnc2n1CCOC2)[C@H](C)COC ZINC000656403574 412790062 /nfs/dbraw/zinc/79/00/62/412790062.db2.gz TVAATNXOMTYKME-LLVKDONJSA-N 1 2 266.345 0.831 20 30 CCEDLO C[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000331793692 204169268 /nfs/dbraw/zinc/16/92/68/204169268.db2.gz VQYOMBOFWDBODV-RYUDHWBXSA-N 1 2 299.338 0.456 20 30 CCEDLO Cc1cc(NC[C@H]2CCCN2S(C)(=O)=O)c(C#N)c[nH+]1 ZINC000333472353 205349293 /nfs/dbraw/zinc/34/92/93/205349293.db2.gz NUWSUAAOOIQWDH-GFCCVEGCSA-N 1 2 294.380 0.520 20 30 CCEDLO C=CCCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638009860 374555075 /nfs/dbraw/zinc/55/50/75/374555075.db2.gz GVBIZTLWEDKLGH-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=C(C)[C@@H](CO)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640100107 376236339 /nfs/dbraw/zinc/23/63/39/376236339.db2.gz VTDFABJRHFLDLI-OAHLLOKOSA-N 1 2 276.384 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nccs2)nn1 ZINC000640789509 376536313 /nfs/dbraw/zinc/53/63/13/376536313.db2.gz VIQDVUDSRGBGIQ-UHFFFAOYSA-N 1 2 290.352 0.486 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCC[C@@H]2C)nn1 ZINC000640794652 376548201 /nfs/dbraw/zinc/54/82/01/376548201.db2.gz XLQPQGXARSWMMX-ZDUSSCGKSA-N 1 2 289.383 0.792 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCN2CCCC2=O)nn1 ZINC000640950870 376635878 /nfs/dbraw/zinc/63/58/78/376635878.db2.gz DVNDZMUNAGSCBO-UHFFFAOYSA-N 1 2 261.329 0.013 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)cn2)nn1 ZINC000641053097 376719513 /nfs/dbraw/zinc/71/95/13/376719513.db2.gz ZQKLVJAFIWQJJB-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(CC)C2=O)nn1 ZINC000641085825 376760859 /nfs/dbraw/zinc/76/08/59/376760859.db2.gz PCVIOAZGIFYXBR-LBPRGKRZSA-N 1 2 261.329 0.184 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnnn2C(C)(C)C)nn1 ZINC000641104322 376785643 /nfs/dbraw/zinc/78/56/43/376785643.db2.gz FCRZDGSZMWTDJL-UHFFFAOYSA-N 1 2 288.359 0.181 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2n[nH]c(CC)n2)nn1 ZINC000641158716 376824101 /nfs/dbraw/zinc/82/41/01/376824101.db2.gz UFHLCTXUAUJSFE-UHFFFAOYSA-N 1 2 259.317 0.120 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(CC)[nH]2)nn1 ZINC000641158716 376824106 /nfs/dbraw/zinc/82/41/06/376824106.db2.gz UFHLCTXUAUJSFE-UHFFFAOYSA-N 1 2 259.317 0.120 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2CCF)nn1 ZINC000641167314 376837039 /nfs/dbraw/zinc/83/70/39/376837039.db2.gz IRPGPSLJVNPMNP-UHFFFAOYSA-N 1 2 277.307 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000685003900 545785308 /nfs/dbraw/zinc/78/53/08/545785308.db2.gz RBJKOYUFASPTBT-QWHCGFSZSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000685003900 545785311 /nfs/dbraw/zinc/78/53/11/545785311.db2.gz RBJKOYUFASPTBT-QWHCGFSZSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCC1(NS(=O)(=O)CCn2cc[nH+]c2)CCOCC1 ZINC000641607419 377309014 /nfs/dbraw/zinc/30/90/14/377309014.db2.gz BWLWBRLADUJTJD-UHFFFAOYSA-N 1 2 299.396 0.928 20 30 CCEDLO N#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)nc1 ZINC000107759333 284633955 /nfs/dbraw/zinc/63/39/55/284633955.db2.gz GFIDLUSNBFGOGV-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)nn1 ZINC000657387499 412978445 /nfs/dbraw/zinc/97/84/45/412978445.db2.gz WJRQBQFHHFQYAR-UHFFFAOYSA-N 1 2 286.401 0.767 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000657493427 413007293 /nfs/dbraw/zinc/00/72/93/413007293.db2.gz PCFBJURGXVJHLH-UHFFFAOYSA-N 1 2 288.351 0.734 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2C)CC1 ZINC000283273937 388763615 /nfs/dbraw/zinc/76/36/15/388763615.db2.gz VMLWQDHZGWQWHN-UHFFFAOYSA-N 1 2 282.351 0.632 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C)CC1 ZINC000283296457 388763859 /nfs/dbraw/zinc/76/38/59/388763859.db2.gz WZZUSZZRADUVQV-UHFFFAOYSA-N 1 2 259.357 0.838 20 30 CCEDLO CC#CC[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284921618 388784422 /nfs/dbraw/zinc/78/44/22/388784422.db2.gz VSMZURHJDUIWRQ-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO CC#CC[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284921618 388784427 /nfs/dbraw/zinc/78/44/27/388784427.db2.gz VSMZURHJDUIWRQ-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO C=CCCCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286628746 388843367 /nfs/dbraw/zinc/84/33/67/388843367.db2.gz KFMQWGHQTNTOBN-UHFFFAOYSA-N 1 2 264.329 0.509 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000025642666 388816928 /nfs/dbraw/zinc/81/69/28/388816928.db2.gz QDJKZQHUBOSCMK-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000025642666 388816930 /nfs/dbraw/zinc/81/69/30/388816930.db2.gz QDJKZQHUBOSCMK-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000185920243 388818336 /nfs/dbraw/zinc/81/83/36/388818336.db2.gz UWZTULRIZLHDMJ-GJZGRUSLSA-N 1 2 292.383 0.525 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000185920243 388818341 /nfs/dbraw/zinc/81/83/41/388818341.db2.gz UWZTULRIZLHDMJ-GJZGRUSLSA-N 1 2 292.383 0.525 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290531119 388905964 /nfs/dbraw/zinc/90/59/64/388905964.db2.gz OCTAPRJNKFZQAZ-GFCCVEGCSA-N 1 2 288.351 0.421 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481175 388935960 /nfs/dbraw/zinc/93/59/60/388935960.db2.gz RMCMRDRIXNTAEO-ZDUSSCGKSA-N 1 2 299.378 0.766 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000290932005 388914208 /nfs/dbraw/zinc/91/42/08/388914208.db2.gz VHNIIJFCWXXFOL-BXUZGUMPSA-N 1 2 297.424 0.949 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000057907842 388934083 /nfs/dbraw/zinc/93/40/83/388934083.db2.gz MPDWCGLVRBQOBU-UHFFFAOYSA-N 1 2 290.323 0.841 20 30 CCEDLO CC[N@@H+](CC(=O)NC1CCOCC1)C[C@@H](C)C#N ZINC000062768920 388939904 /nfs/dbraw/zinc/93/99/04/388939904.db2.gz ALMHOEXDJZPJEZ-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC1CCOCC1)C[C@@H](C)C#N ZINC000062768920 388939907 /nfs/dbraw/zinc/93/99/07/388939907.db2.gz ALMHOEXDJZPJEZ-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C=O)c[nH]2)CC1 ZINC000293350592 388981900 /nfs/dbraw/zinc/98/19/00/388981900.db2.gz HTHAPKTZMUXZOX-UHFFFAOYSA-N 1 2 259.309 0.608 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000192229447 389029821 /nfs/dbraw/zinc/02/98/21/389029821.db2.gz JJIRGJFNNGWDQE-PWSUYJOCSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000192229447 389029826 /nfs/dbraw/zinc/02/98/26/389029826.db2.gz JJIRGJFNNGWDQE-PWSUYJOCSA-N 1 2 254.330 0.255 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191204339 389008210 /nfs/dbraw/zinc/00/82/10/389008210.db2.gz BCIJQIQQQWMWBO-GFCCVEGCSA-N 1 2 280.397 0.812 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191204339 389008211 /nfs/dbraw/zinc/00/82/11/389008211.db2.gz BCIJQIQQQWMWBO-GFCCVEGCSA-N 1 2 280.397 0.812 20 30 CCEDLO C=CCOCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000354282836 389018994 /nfs/dbraw/zinc/01/89/94/389018994.db2.gz PJTIBWDGWYUCFK-UHFFFAOYSA-N 1 2 291.351 0.737 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000298440127 389019146 /nfs/dbraw/zinc/01/91/46/389019146.db2.gz CATHFZHKQFYRIP-GFCCVEGCSA-N 1 2 273.336 0.895 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000298440127 389019149 /nfs/dbraw/zinc/01/91/49/389019149.db2.gz CATHFZHKQFYRIP-GFCCVEGCSA-N 1 2 273.336 0.895 20 30 CCEDLO C[C@H](CNC(=O)c1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000192634098 389046645 /nfs/dbraw/zinc/04/66/45/389046645.db2.gz CTLFDCZDQOIARW-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(CCOC)CC2)C1=O ZINC000337142745 389047254 /nfs/dbraw/zinc/04/72/54/389047254.db2.gz XPUJARHJHBTWLJ-ZDUSSCGKSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219591 389056026 /nfs/dbraw/zinc/05/60/26/389056026.db2.gz JYDRLJGEZKUPBF-QWHCGFSZSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219591 389056029 /nfs/dbraw/zinc/05/60/29/389056029.db2.gz JYDRLJGEZKUPBF-QWHCGFSZSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337405099 389060662 /nfs/dbraw/zinc/06/06/62/389060662.db2.gz MILQLRMAUXXPOB-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337405099 389060665 /nfs/dbraw/zinc/06/06/65/389060665.db2.gz MILQLRMAUXXPOB-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)/N=C/c1ccc(O)c(O)c1O ZINC000106586430 389093329 /nfs/dbraw/zinc/09/33/29/389093329.db2.gz ASBOJXJEJAXDFH-UJFYRASASA-N 1 2 293.367 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105612006 389086480 /nfs/dbraw/zinc/08/64/80/389086480.db2.gz FNVPYESDASSNOS-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105612006 389086484 /nfs/dbraw/zinc/08/64/84/389086484.db2.gz FNVPYESDASSNOS-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000305772361 389088966 /nfs/dbraw/zinc/08/89/66/389088966.db2.gz KYSRMXKNTNJMOS-KOLCDFICSA-N 1 2 293.289 0.650 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000305772361 389088970 /nfs/dbraw/zinc/08/89/70/389088970.db2.gz KYSRMXKNTNJMOS-KOLCDFICSA-N 1 2 293.289 0.650 20 30 CCEDLO C[C@@H](O)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000305767477 389089088 /nfs/dbraw/zinc/08/90/88/389089088.db2.gz FVYPMEFSTQAAAI-LLVKDONJSA-N 1 2 253.346 0.451 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441433 389036834 /nfs/dbraw/zinc/03/68/34/389036834.db2.gz AWBCABKCSIDCPA-ZFWWWQNUSA-N 1 2 289.331 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441433 389036840 /nfs/dbraw/zinc/03/68/40/389036840.db2.gz AWBCABKCSIDCPA-ZFWWWQNUSA-N 1 2 289.331 0.807 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000120799234 389145065 /nfs/dbraw/zinc/14/50/65/389145065.db2.gz BKPUFVMERPKNRR-GFCCVEGCSA-N 1 2 276.402 0.450 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000328947905 389147111 /nfs/dbraw/zinc/14/71/11/389147111.db2.gz BPWPTJQRABSPGX-MWLCHTKSSA-N 1 2 294.355 0.714 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000328947905 389147115 /nfs/dbraw/zinc/14/71/15/389147115.db2.gz BPWPTJQRABSPGX-MWLCHTKSSA-N 1 2 294.355 0.714 20 30 CCEDLO N#CCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355585248 389097470 /nfs/dbraw/zinc/09/74/70/389097470.db2.gz IOCYGCPCJVINCR-UHFFFAOYSA-N 1 2 288.351 0.947 20 30 CCEDLO CC(=O)NCC[N@H+](CC(=O)NCC#N)Cc1ccsc1 ZINC000338313942 389108661 /nfs/dbraw/zinc/10/86/61/389108661.db2.gz GTORADFOJVXCMU-UHFFFAOYSA-N 1 2 294.380 0.326 20 30 CCEDLO CC(=O)NCC[N@@H+](CC(=O)NCC#N)Cc1ccsc1 ZINC000338313942 389108663 /nfs/dbraw/zinc/10/86/63/389108663.db2.gz GTORADFOJVXCMU-UHFFFAOYSA-N 1 2 294.380 0.326 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593223 389113802 /nfs/dbraw/zinc/11/38/02/389113802.db2.gz PRQIDYBFGKGSJX-MRVWCRGKSA-N 1 2 285.363 0.836 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338593223 389113806 /nfs/dbraw/zinc/11/38/06/389113806.db2.gz PRQIDYBFGKGSJX-MRVWCRGKSA-N 1 2 285.363 0.836 20 30 CCEDLO Cc1nnc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000112012738 389117067 /nfs/dbraw/zinc/11/70/67/389117067.db2.gz OUDAOPHJMJVVDF-NSHDSACASA-N 1 2 261.329 0.708 20 30 CCEDLO Cc1nnc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000112012738 389117071 /nfs/dbraw/zinc/11/70/71/389117071.db2.gz OUDAOPHJMJVVDF-NSHDSACASA-N 1 2 261.329 0.708 20 30 CCEDLO N#CCCOCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000339085483 389125109 /nfs/dbraw/zinc/12/51/09/389125109.db2.gz XHKNRBUYUQLHHR-OAHLLOKOSA-N 1 2 287.363 0.960 20 30 CCEDLO N#CCCOCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000339085483 389125110 /nfs/dbraw/zinc/12/51/10/389125110.db2.gz XHKNRBUYUQLHHR-OAHLLOKOSA-N 1 2 287.363 0.960 20 30 CCEDLO C=C(C)CN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339342915 389130291 /nfs/dbraw/zinc/13/02/91/389130291.db2.gz HKVQPPZQEYMZJB-LBPRGKRZSA-N 1 2 264.329 0.491 20 30 CCEDLO C=C(C)CN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339342915 389130295 /nfs/dbraw/zinc/13/02/95/389130295.db2.gz HKVQPPZQEYMZJB-LBPRGKRZSA-N 1 2 264.329 0.491 20 30 CCEDLO CN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC1=O ZINC000328678717 389131652 /nfs/dbraw/zinc/13/16/52/389131652.db2.gz MPLPTVOXXSTHAR-JTQLQIEISA-N 1 2 269.345 0.284 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000328691919 389131955 /nfs/dbraw/zinc/13/19/55/389131955.db2.gz FCSJODPMBADPPB-LLVKDONJSA-N 1 2 278.356 0.855 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000328691919 389131961 /nfs/dbraw/zinc/13/19/61/389131961.db2.gz FCSJODPMBADPPB-LLVKDONJSA-N 1 2 278.356 0.855 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)nc1 ZINC000115334066 389132456 /nfs/dbraw/zinc/13/24/56/389132456.db2.gz NUNIAZDPEZZVNV-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000328745742 389135802 /nfs/dbraw/zinc/13/58/02/389135802.db2.gz AHBSZVTXDINCJY-GHMZBOCLSA-N 1 2 293.371 0.587 20 30 CCEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000121637983 389149919 /nfs/dbraw/zinc/14/99/19/389149919.db2.gz ISPNOPXUGHZZGY-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC2(O)CCC2)C1 ZINC000328846876 389140744 /nfs/dbraw/zinc/14/07/44/389140744.db2.gz ANOIESHLLUYLLM-LBPRGKRZSA-N 1 2 284.404 0.041 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC2(O)CCC2)C1 ZINC000328846876 389140745 /nfs/dbraw/zinc/14/07/45/389140745.db2.gz ANOIESHLLUYLLM-LBPRGKRZSA-N 1 2 284.404 0.041 20 30 CCEDLO C=CC[N@H+](C)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000121637983 389149921 /nfs/dbraw/zinc/14/99/21/389149921.db2.gz ISPNOPXUGHZZGY-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO CNC(=O)c1cccnc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329635871 389180256 /nfs/dbraw/zinc/18/02/56/389180256.db2.gz USHLUMMKRFEPQB-NSHDSACASA-N 1 2 277.372 0.674 20 30 CCEDLO CNC(=O)c1cccnc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000329635871 389180258 /nfs/dbraw/zinc/18/02/58/389180258.db2.gz USHLUMMKRFEPQB-NSHDSACASA-N 1 2 277.372 0.674 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 ZINC000329637003 389180452 /nfs/dbraw/zinc/18/04/52/389180452.db2.gz VJUJPAMASNXRPX-LLVKDONJSA-N 1 2 294.380 0.843 20 30 CCEDLO N#CC1(CS(=O)(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000359683918 389181995 /nfs/dbraw/zinc/18/19/95/389181995.db2.gz XDGASHHYRSYMHH-UHFFFAOYSA-N 1 2 282.369 0.886 20 30 CCEDLO CN1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1=O ZINC000329645294 389182150 /nfs/dbraw/zinc/18/21/50/389182150.db2.gz ZLSBDUWMNSXTGC-SNVBAGLBSA-N 1 2 277.328 0.406 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOC3)C[C@H]21 ZINC000329708633 389191480 /nfs/dbraw/zinc/19/14/80/389191480.db2.gz MLZNLIIXBZTILO-QJPTWQEYSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOC3)C[C@H]21 ZINC000329708633 389191482 /nfs/dbraw/zinc/19/14/82/389191482.db2.gz MLZNLIIXBZTILO-QJPTWQEYSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360293144 389195813 /nfs/dbraw/zinc/19/58/13/389195813.db2.gz IXAGMIUQOVCWRU-GFCCVEGCSA-N 1 2 296.415 0.803 20 30 CCEDLO C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000329478866 389166491 /nfs/dbraw/zinc/16/64/91/389166491.db2.gz QGZXYWQCCGPJHO-UWVGGRQHSA-N 1 2 298.343 0.444 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccn(C)n1 ZINC000329493579 389166746 /nfs/dbraw/zinc/16/67/46/389166746.db2.gz DYMDQUPATZNEAP-GFCCVEGCSA-N 1 2 266.345 0.640 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccn(C)n1 ZINC000329493579 389166749 /nfs/dbraw/zinc/16/67/49/389166749.db2.gz DYMDQUPATZNEAP-GFCCVEGCSA-N 1 2 266.345 0.640 20 30 CCEDLO CC#CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359143509 389167495 /nfs/dbraw/zinc/16/74/95/389167495.db2.gz GORSBEYAGJBAKP-CQSZACIVSA-N 1 2 279.384 0.906 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccoc1 ZINC000247748654 389242514 /nfs/dbraw/zinc/24/25/14/389242514.db2.gz RGGWUUPUUXXMHL-UHFFFAOYSA-N 1 2 277.324 0.968 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248425196 389245398 /nfs/dbraw/zinc/24/53/98/389245398.db2.gz NWTMZZBALYWKEB-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248425196 389245403 /nfs/dbraw/zinc/24/54/03/389245403.db2.gz NWTMZZBALYWKEB-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc(N(C)C)cn1 ZINC000330626193 389247960 /nfs/dbraw/zinc/24/79/60/389247960.db2.gz UZHFPRJVGANXDR-NSHDSACASA-N 1 2 293.371 0.568 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134901299 389250278 /nfs/dbraw/zinc/25/02/78/389250278.db2.gz YNIUNEKEEMXSLX-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)OC ZINC000361111296 389208643 /nfs/dbraw/zinc/20/86/43/389208643.db2.gz SEFVZVXFIBEHQU-TUAOUCFPSA-N 1 2 257.330 0.745 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131190246 389210248 /nfs/dbraw/zinc/21/02/48/389210248.db2.gz VYVYEHQTCYORHI-NSHDSACASA-N 1 2 282.388 0.580 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131190246 389210254 /nfs/dbraw/zinc/21/02/54/389210254.db2.gz VYVYEHQTCYORHI-NSHDSACASA-N 1 2 282.388 0.580 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000361698214 389222769 /nfs/dbraw/zinc/22/27/69/389222769.db2.gz DQNABKVCEVEJBF-UHFFFAOYSA-N 1 2 285.391 0.792 20 30 CCEDLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H](CO)C1 ZINC000330442466 389230434 /nfs/dbraw/zinc/23/04/34/389230434.db2.gz FHLTZISOWXNVTG-LBPRGKRZSA-N 1 2 266.345 0.892 20 30 CCEDLO [O-]C(=[NH+]CCCn1cc[nH+]c1)N1CCC[C@H](CO)C1 ZINC000330442466 389230436 /nfs/dbraw/zinc/23/04/36/389230436.db2.gz FHLTZISOWXNVTG-LBPRGKRZSA-N 1 2 266.345 0.892 20 30 CCEDLO Cc1ccc(O)c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000330455122 389231651 /nfs/dbraw/zinc/23/16/51/389231651.db2.gz MTPZXFDSWWBIIU-LBPRGKRZSA-N 1 2 294.351 0.698 20 30 CCEDLO CCN(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000330522961 389237807 /nfs/dbraw/zinc/23/78/07/389237807.db2.gz JCWQQIQOIUEAQW-GFCCVEGCSA-N 1 2 252.362 0.384 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)COC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000247345325 389239090 /nfs/dbraw/zinc/23/90/90/389239090.db2.gz GVFNQSIIBHRSHR-STQMWFEESA-N 1 2 291.413 0.447 20 30 CCEDLO C=CC[N@H+](C[C@H](O)COC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000247345325 389239093 /nfs/dbraw/zinc/23/90/93/389239093.db2.gz GVFNQSIIBHRSHR-STQMWFEESA-N 1 2 291.413 0.447 20 30 CCEDLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C#N)cc1 ZINC000154346209 389312145 /nfs/dbraw/zinc/31/21/45/389312145.db2.gz QYQHMQPMLCQWRQ-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C#N)cc1 ZINC000154346209 389312146 /nfs/dbraw/zinc/31/21/46/389312146.db2.gz QYQHMQPMLCQWRQ-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000154951857 389315677 /nfs/dbraw/zinc/31/56/77/389315677.db2.gz OCDXAVHHNGUEOF-NEPJUHHUSA-N 1 2 255.362 0.923 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCC#N)C2)CC1 ZINC000345822865 389315873 /nfs/dbraw/zinc/31/58/73/389315873.db2.gz YEOROAQUXUDCOO-CQSZACIVSA-N 1 2 293.415 0.712 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000264284495 389317786 /nfs/dbraw/zinc/31/77/86/389317786.db2.gz IWOUXMMIFNKFLQ-UHFFFAOYSA-N 1 2 298.346 0.699 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000345915100 389318120 /nfs/dbraw/zinc/31/81/20/389318120.db2.gz WMVJJZLTLYKFFU-ILXRZTDVSA-N 1 2 295.427 0.720 20 30 CCEDLO CC#CCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000343906944 389274577 /nfs/dbraw/zinc/27/45/77/389274577.db2.gz JLPQMRAJZQIGON-UHFFFAOYSA-N 1 2 289.383 0.616 20 30 CCEDLO C=C(C)COCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000151469257 389277668 /nfs/dbraw/zinc/27/76/68/389277668.db2.gz CPCKZOKBRHGQMW-UHFFFAOYSA-N 1 2 285.388 0.553 20 30 CCEDLO C=CCNC(=O)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345579908 389309735 /nfs/dbraw/zinc/30/97/35/389309735.db2.gz YMKNLXGAVIHVLH-LBPRGKRZSA-N 1 2 291.355 0.473 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCNC2=O)cs1 ZINC000269293027 389413050 /nfs/dbraw/zinc/41/30/50/389413050.db2.gz OVBCOMBNSMNRHS-MRVPVSSYSA-N 1 2 254.315 0.171 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1ccoc1C(=O)OC ZINC000347637088 389355437 /nfs/dbraw/zinc/35/54/37/389355437.db2.gz HXEQWCXPWDKIJK-UHFFFAOYSA-N 1 2 252.270 0.458 20 30 CCEDLO C=CCOCCC[N@H+]1CCN(CCOC)C(=O)C1 ZINC000348042145 389362498 /nfs/dbraw/zinc/36/24/98/389362498.db2.gz YZXRGMUFYHFUDT-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO C=CCOCCC[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000348042145 389362502 /nfs/dbraw/zinc/36/25/02/389362502.db2.gz YZXRGMUFYHFUDT-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000348098096 389365003 /nfs/dbraw/zinc/36/50/03/389365003.db2.gz RVFHKBLHRZEHQH-SDBXPKJASA-N 1 2 277.328 0.837 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000372937847 389460531 /nfs/dbraw/zinc/46/05/31/389460531.db2.gz ASDALJBQBQSLPN-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000372937847 389460536 /nfs/dbraw/zinc/46/05/36/389460536.db2.gz ASDALJBQBQSLPN-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272497594 389468971 /nfs/dbraw/zinc/46/89/71/389468971.db2.gz DDHNHKRPCSGLPV-FRRDWIJNSA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272497594 389468976 /nfs/dbraw/zinc/46/89/76/389468976.db2.gz DDHNHKRPCSGLPV-FRRDWIJNSA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272636138 389470027 /nfs/dbraw/zinc/47/00/27/389470027.db2.gz WUOZFKMAYQAAMP-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272636138 389470031 /nfs/dbraw/zinc/47/00/31/389470031.db2.gz WUOZFKMAYQAAMP-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCO[C@H](C#N)C2)CCO1 ZINC000171603984 389477635 /nfs/dbraw/zinc/47/76/35/389477635.db2.gz MGUOKXOMRPWILX-GFCCVEGCSA-N 1 2 296.371 0.031 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCO[C@H](C#N)C2)CCO1 ZINC000171603984 389477637 /nfs/dbraw/zinc/47/76/37/389477637.db2.gz MGUOKXOMRPWILX-GFCCVEGCSA-N 1 2 296.371 0.031 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000269487109 389420981 /nfs/dbraw/zinc/42/09/81/389420981.db2.gz NCAWWYFOJVXPGB-UHFFFAOYSA-N 1 2 279.319 0.040 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371816343 389438576 /nfs/dbraw/zinc/43/85/76/389438576.db2.gz NORNGTMVNOMYER-CQSZACIVSA-N 1 2 279.384 0.203 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371816343 389438578 /nfs/dbraw/zinc/43/85/78/389438578.db2.gz NORNGTMVNOMYER-CQSZACIVSA-N 1 2 279.384 0.203 20 30 CCEDLO C#CCCCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274870493 389507253 /nfs/dbraw/zinc/50/72/53/389507253.db2.gz FOGIEBFOYQDEQP-UHFFFAOYSA-N 1 2 287.367 0.970 20 30 CCEDLO C#CCCCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274870493 389507255 /nfs/dbraw/zinc/50/72/55/389507255.db2.gz FOGIEBFOYQDEQP-UHFFFAOYSA-N 1 2 287.367 0.970 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000275858467 389514554 /nfs/dbraw/zinc/51/45/54/389514554.db2.gz XJOMYIQWSQPHTI-AWEZNQCLSA-N 1 2 288.351 0.181 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000275858467 389514557 /nfs/dbraw/zinc/51/45/57/389514557.db2.gz XJOMYIQWSQPHTI-AWEZNQCLSA-N 1 2 288.351 0.181 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276634598 389520362 /nfs/dbraw/zinc/52/03/62/389520362.db2.gz PBTWUJIFTZIORQ-UHFFFAOYSA-N 1 2 286.401 0.724 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@@H]2CCC)C1=O ZINC000281140500 389609139 /nfs/dbraw/zinc/60/91/39/389609139.db2.gz APPZYAPBIBSWCW-NWDGAFQWSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@@H]2CCC)C1=O ZINC000281140500 389609143 /nfs/dbraw/zinc/60/91/43/389609143.db2.gz APPZYAPBIBSWCW-NWDGAFQWSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)CC)C1=O ZINC000281185915 389609856 /nfs/dbraw/zinc/60/98/56/389609856.db2.gz BGIYCGGTCYNINV-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)CC)C1=O ZINC000281185915 389609857 /nfs/dbraw/zinc/60/98/57/389609857.db2.gz BGIYCGGTCYNINV-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@]23CCOC3=O)C1=O ZINC000281182342 389610033 /nfs/dbraw/zinc/61/00/33/389610033.db2.gz BAPXHXNVSTXMCJ-SMDDNHRTSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@]23CCOC3=O)C1=O ZINC000281182342 389610039 /nfs/dbraw/zinc/61/00/39/389610039.db2.gz BAPXHXNVSTXMCJ-SMDDNHRTSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC2CC2)C1=O ZINC000281384165 389615230 /nfs/dbraw/zinc/61/52/30/389615230.db2.gz PIXBDQOXLORNME-JQWIXIFHSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC2CC2)C1=O ZINC000281384165 389615235 /nfs/dbraw/zinc/61/52/35/389615235.db2.gz PIXBDQOXLORNME-JQWIXIFHSA-N 1 2 265.357 0.372 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177236760 389575891 /nfs/dbraw/zinc/57/58/91/389575891.db2.gz RAMDNUSYEHQZDK-LBPRGKRZSA-N 1 2 275.356 0.917 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177236760 389575897 /nfs/dbraw/zinc/57/58/97/389575897.db2.gz RAMDNUSYEHQZDK-LBPRGKRZSA-N 1 2 275.356 0.917 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000279500980 389582228 /nfs/dbraw/zinc/58/22/28/389582228.db2.gz QJXZRTWBEIQDAV-HNNXBMFYSA-N 1 2 290.367 0.761 20 30 CCEDLO C=CCC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000351507167 389598301 /nfs/dbraw/zinc/59/83/01/389598301.db2.gz YCDMTYCOZVFDOE-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@@](C)(C(N)=O)c2ccccc2)C1=O ZINC000282017668 389646111 /nfs/dbraw/zinc/64/61/11/389646111.db2.gz OXDPFWAVHAZRJW-XJKSGUPXSA-N 1 2 287.363 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@H]2CCC)C1=O ZINC000281140504 389608720 /nfs/dbraw/zinc/60/87/20/389608720.db2.gz APPZYAPBIBSWCW-VXGBXAGGSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@H]2CCC)C1=O ZINC000281140504 389608726 /nfs/dbraw/zinc/60/87/26/389608726.db2.gz APPZYAPBIBSWCW-VXGBXAGGSA-N 1 2 265.357 0.374 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000375922441 389725654 /nfs/dbraw/zinc/72/56/54/389725654.db2.gz VQLLLQRYVHWIJO-UMVBOHGHSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000375922441 389725656 /nfs/dbraw/zinc/72/56/56/389725656.db2.gz VQLLLQRYVHWIJO-UMVBOHGHSA-N 1 2 295.383 0.627 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336566492 389653007 /nfs/dbraw/zinc/65/30/07/389653007.db2.gz PVXVMUCLQLILLY-NSHDSACASA-N 1 2 269.308 0.838 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cnn(C)c3)CC2)C1=O ZINC000282120882 389657259 /nfs/dbraw/zinc/65/72/59/389657259.db2.gz XVGMVXITEKWTMV-AWEZNQCLSA-N 1 2 289.383 0.329 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000180401428 389669940 /nfs/dbraw/zinc/66/99/40/389669940.db2.gz XESYKMACPLQUJI-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426856333 389679193 /nfs/dbraw/zinc/67/91/93/389679193.db2.gz AYFXMYJDRCMUOV-AGIUHOORSA-N 1 2 270.373 0.539 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000426856333 389679195 /nfs/dbraw/zinc/67/91/95/389679195.db2.gz AYFXMYJDRCMUOV-AGIUHOORSA-N 1 2 270.373 0.539 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](COC(C)C)C2)C1=O ZINC000375607225 389690597 /nfs/dbraw/zinc/69/05/97/389690597.db2.gz LJGAVLSXXKHRGS-ZIAGYGMSSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](COC(C)C)C2)C1=O ZINC000375607225 389690601 /nfs/dbraw/zinc/69/06/01/389690601.db2.gz LJGAVLSXXKHRGS-ZIAGYGMSSA-N 1 2 282.384 0.899 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375715754 389703764 /nfs/dbraw/zinc/70/37/64/389703764.db2.gz DVMCAKPXLXPZSM-AWEZNQCLSA-N 1 2 280.372 0.207 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375715754 389703765 /nfs/dbraw/zinc/70/37/65/389703765.db2.gz DVMCAKPXLXPZSM-AWEZNQCLSA-N 1 2 280.372 0.207 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000352468279 389815778 /nfs/dbraw/zinc/81/57/78/389815778.db2.gz QHKXMXMKHJFSQE-UHFFFAOYSA-N 1 2 268.292 0.302 20 30 CCEDLO NC(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000441164901 389825043 /nfs/dbraw/zinc/82/50/43/389825043.db2.gz GRYNDPKHNAGNLT-UHFFFAOYSA-N 1 2 291.782 0.794 20 30 CCEDLO C=CC[N@H+](C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336710618 262381988 /nfs/dbraw/zinc/38/19/88/262381988.db2.gz MYNQZXOJQNUJTC-NWDGAFQWSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000336710618 262381990 /nfs/dbraw/zinc/38/19/90/262381990.db2.gz MYNQZXOJQNUJTC-NWDGAFQWSA-N 1 2 275.370 0.077 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCc1c[nH+]ccc1OC ZINC000431594282 389863003 /nfs/dbraw/zinc/86/30/03/389863003.db2.gz CQFKHOPKZHLCNG-UHFFFAOYSA-N 1 2 298.368 0.660 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CC1)CC(C)(C)C#N ZINC000433315640 389908195 /nfs/dbraw/zinc/90/81/95/389908195.db2.gz YPPJINRIFYVOOS-UHFFFAOYSA-N 1 2 252.318 0.456 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CC1)CC(C)(C)C#N ZINC000433315640 389908197 /nfs/dbraw/zinc/90/81/97/389908197.db2.gz YPPJINRIFYVOOS-UHFFFAOYSA-N 1 2 252.318 0.456 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000435443880 389957518 /nfs/dbraw/zinc/95/75/18/389957518.db2.gz SYYHUKJTDAQGPZ-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000435443880 389957519 /nfs/dbraw/zinc/95/75/19/389957519.db2.gz SYYHUKJTDAQGPZ-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000440605747 390040951 /nfs/dbraw/zinc/04/09/51/390040951.db2.gz YQUDHLCVAUSXFY-UHFFFAOYSA-N 1 2 270.292 0.721 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](F)CC)CC1 ZINC000440689844 390042639 /nfs/dbraw/zinc/04/26/39/390042639.db2.gz DNPNQOMQHQTFDO-LBPRGKRZSA-N 1 2 257.353 0.654 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451129861 390000020 /nfs/dbraw/zinc/00/00/20/390000020.db2.gz JUNOBIDQGPRQNW-NSHDSACASA-N 1 2 265.357 0.858 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451129861 390000022 /nfs/dbraw/zinc/00/00/22/390000022.db2.gz JUNOBIDQGPRQNW-NSHDSACASA-N 1 2 265.357 0.858 20 30 CCEDLO Cc1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000492867030 390118608 /nfs/dbraw/zinc/11/86/08/390118608.db2.gz RBFCLXYFBOGYCW-ONEGZZNKSA-N 1 2 270.296 0.902 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/C1CCOCC1 ZINC000493060643 390118851 /nfs/dbraw/zinc/11/88/51/390118851.db2.gz YLYFALDLDHSUPG-NNTXTVRGSA-N 1 2 265.357 0.929 20 30 CCEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000493132921 390119182 /nfs/dbraw/zinc/11/91/82/390119182.db2.gz RQABWMNAWJEWIG-AAOUONPWSA-N 1 2 295.364 0.625 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(C)C)cn2)CC1 ZINC000491415861 390113178 /nfs/dbraw/zinc/11/31/78/390113178.db2.gz IRZYFRGNYLPREF-UHFFFAOYSA-N 1 2 274.368 0.784 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491715410 390116283 /nfs/dbraw/zinc/11/62/83/390116283.db2.gz JUOLIDWYHUPOOH-SECBINFHSA-N 1 2 273.296 0.989 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491715410 390116284 /nfs/dbraw/zinc/11/62/84/390116284.db2.gz JUOLIDWYHUPOOH-SECBINFHSA-N 1 2 273.296 0.989 20 30 CCEDLO COC(=O)C[C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579361361 390165912 /nfs/dbraw/zinc/16/59/12/390165912.db2.gz SUWIJHGQMOXBAX-ZWNOBZJWSA-N 1 2 269.345 0.536 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000494660045 390190817 /nfs/dbraw/zinc/19/08/17/390190817.db2.gz DPPTXFXSUBUFAM-OLZOCXBDSA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000494660045 390190822 /nfs/dbraw/zinc/19/08/22/390190822.db2.gz DPPTXFXSUBUFAM-OLZOCXBDSA-N 1 2 271.320 0.541 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000580154189 390224236 /nfs/dbraw/zinc/22/42/36/390224236.db2.gz QUCQHCFEPZIERQ-NSHDSACASA-N 1 2 293.371 0.561 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000580154189 390224240 /nfs/dbraw/zinc/22/42/40/390224240.db2.gz QUCQHCFEPZIERQ-NSHDSACASA-N 1 2 293.371 0.561 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000644708433 390288548 /nfs/dbraw/zinc/28/85/48/390288548.db2.gz ZEJUAVYMZRBYMJ-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000644708433 390288552 /nfs/dbraw/zinc/28/85/52/390288552.db2.gz ZEJUAVYMZRBYMJ-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000583761240 390310332 /nfs/dbraw/zinc/31/03/32/390310332.db2.gz LBQMJUWPIFYPHB-JQWIXIFHSA-N 1 2 261.329 0.807 20 30 CCEDLO CC#CC[C@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000645404842 390421302 /nfs/dbraw/zinc/42/13/02/390421302.db2.gz PNQZZVPBQWKIAP-SNVBAGLBSA-N 1 2 272.312 0.431 20 30 CCEDLO CC(C)(C)OC(=O)NCCC[NH+]1CC(O)(CC#N)C1 ZINC000496992499 390398914 /nfs/dbraw/zinc/39/89/14/390398914.db2.gz XXUDURXUFWYPCO-UHFFFAOYSA-N 1 2 269.345 0.862 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000514914758 390471134 /nfs/dbraw/zinc/47/11/34/390471134.db2.gz WCIDXTXKVYVVOP-SYQHCUMBSA-N 1 2 297.399 0.738 20 30 CCEDLO CC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565540604 390523588 /nfs/dbraw/zinc/52/35/88/390523588.db2.gz AWLDXMJGTOMKPS-UHFFFAOYSA-N 1 2 262.269 0.774 20 30 CCEDLO CC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565540604 390523591 /nfs/dbraw/zinc/52/35/91/390523591.db2.gz AWLDXMJGTOMKPS-UHFFFAOYSA-N 1 2 262.269 0.774 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649238536 390532769 /nfs/dbraw/zinc/53/27/69/390532769.db2.gz CQKPXAVVZOEGRL-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCOCC1 ZINC000570454228 390718539 /nfs/dbraw/zinc/71/85/39/390718539.db2.gz BPXFPGCSMICHIP-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO Cn1ncc2c1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2 ZINC000570805991 390719286 /nfs/dbraw/zinc/71/92/86/390719286.db2.gz UOCGALONFCATRU-XHDPSFHLSA-N 1 2 289.383 0.485 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CCC1 ZINC000526303778 390681036 /nfs/dbraw/zinc/68/10/36/390681036.db2.gz VWSGRRZFXQKELD-GFCCVEGCSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CCC1 ZINC000526303778 390681039 /nfs/dbraw/zinc/68/10/39/390681039.db2.gz VWSGRRZFXQKELD-GFCCVEGCSA-N 1 2 263.341 0.660 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000646613619 390700077 /nfs/dbraw/zinc/70/00/77/390700077.db2.gz TVOJPDPWPNZPGG-ZDUSSCGKSA-N 1 2 261.325 0.273 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000528628784 390764203 /nfs/dbraw/zinc/76/42/03/390764203.db2.gz MCKSEXMWXGXOKN-QWRGUYRKSA-N 1 2 254.334 0.308 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000528628784 390764204 /nfs/dbraw/zinc/76/42/04/390764204.db2.gz MCKSEXMWXGXOKN-QWRGUYRKSA-N 1 2 254.334 0.308 20 30 CCEDLO COC(=O)c1ccc(NCC[NH+]2CCOCC2)c(C#N)n1 ZINC000571599855 390744018 /nfs/dbraw/zinc/74/40/18/390744018.db2.gz HZHQFDACASEJSP-UHFFFAOYSA-N 1 2 290.323 0.484 20 30 CCEDLO COCc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000529817158 390867050 /nfs/dbraw/zinc/86/70/50/390867050.db2.gz VKTWTDYNNHGBHP-CQSZACIVSA-N 1 2 289.335 0.974 20 30 CCEDLO COCc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000529817158 390867052 /nfs/dbraw/zinc/86/70/52/390867052.db2.gz VKTWTDYNNHGBHP-CQSZACIVSA-N 1 2 289.335 0.974 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1C#N ZINC000534053732 390888337 /nfs/dbraw/zinc/88/83/37/390888337.db2.gz DAYMTEYYLPAYGF-IWIIMEHWSA-N 1 2 287.367 0.840 20 30 CCEDLO CC[C@@H](OC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534061900 390888444 /nfs/dbraw/zinc/88/84/44/390888444.db2.gz FNKLUUWUJKQJBU-LLVKDONJSA-N 1 2 279.344 0.219 20 30 CCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000418120559 533532577 /nfs/dbraw/zinc/53/25/77/533532577.db2.gz IBYOQJJFBFVWQH-GFCCVEGCSA-N 1 2 291.307 0.405 20 30 CCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000418120559 533532581 /nfs/dbraw/zinc/53/25/81/533532581.db2.gz IBYOQJJFBFVWQH-GFCCVEGCSA-N 1 2 291.307 0.405 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000767073000 581594783 /nfs/dbraw/zinc/59/47/83/581594783.db2.gz WPPYKQUOHRWTME-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268446993 132010947 /nfs/dbraw/zinc/01/09/47/132010947.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268446993 132010949 /nfs/dbraw/zinc/01/09/49/132010949.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268446993 132010950 /nfs/dbraw/zinc/01/09/50/132010950.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268446993 132010951 /nfs/dbraw/zinc/01/09/51/132010951.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268446993 132010953 /nfs/dbraw/zinc/01/09/53/132010953.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268446993 132010954 /nfs/dbraw/zinc/01/09/54/132010954.db2.gz ICKXYLPQRYOWPM-PWSUYJOCSA-N 1 2 275.356 0.430 20 30 CCEDLO COC[C@@H](C)NC(=S)NN=Cc1[nH+]c[nH]c1C ZINC000755526332 581644122 /nfs/dbraw/zinc/64/41/22/581644122.db2.gz NIVQIUOMNRFBCT-SSDOTTSWSA-N 1 2 255.347 0.551 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(F)c1 ZINC000372835498 144382401 /nfs/dbraw/zinc/38/24/01/144382401.db2.gz CHTTWEAQBWHDPN-UHFFFAOYSA-N 1 2 297.355 0.950 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567276691 397578914 /nfs/dbraw/zinc/57/89/14/397578914.db2.gz SBJPMPZXNGNJEY-NTZNESFSSA-N 1 2 251.330 0.538 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652495475 412064026 /nfs/dbraw/zinc/06/40/26/412064026.db2.gz XOPPXYCSHVYGQF-GFCCVEGCSA-N 1 2 275.352 0.652 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)nn1 ZINC000653623630 412325934 /nfs/dbraw/zinc/32/59/34/412325934.db2.gz KJTUIXXGHSCMPD-CYBMUJFWSA-N 1 2 273.344 0.893 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)nn1 ZINC000653623630 412325939 /nfs/dbraw/zinc/32/59/39/412325939.db2.gz KJTUIXXGHSCMPD-CYBMUJFWSA-N 1 2 273.344 0.893 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)nn1 ZINC000653654325 412330494 /nfs/dbraw/zinc/33/04/94/412330494.db2.gz LBITYXLKLBNIFV-JSGCOSHPSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)nn1 ZINC000653654325 412330496 /nfs/dbraw/zinc/33/04/96/412330496.db2.gz LBITYXLKLBNIFV-JSGCOSHPSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CC[N@H+](Cc1nc(N)nc(N)n1)[C@@H](C)COC ZINC000661245538 414583876 /nfs/dbraw/zinc/58/38/76/414583876.db2.gz BNSINZQFWSELHD-QMMMGPOBSA-N 1 2 252.322 0.059 20 30 CCEDLO C=CC[N@@H+](Cc1nc(N)nc(N)n1)[C@@H](C)COC ZINC000661245538 414583878 /nfs/dbraw/zinc/58/38/78/414583878.db2.gz BNSINZQFWSELHD-QMMMGPOBSA-N 1 2 252.322 0.059 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2C[C@@H](C)C(=O)[C@H](C)C2)C1=O ZINC000661545246 414639446 /nfs/dbraw/zinc/63/94/46/414639446.db2.gz UCKAMHHQTDGYHZ-UTUOFQBUSA-N 1 2 250.342 0.930 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665029286 415510237 /nfs/dbraw/zinc/51/02/37/415510237.db2.gz RZLWHHOTYHFBTK-RQJABVFESA-N 1 2 297.399 0.738 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665029286 415510246 /nfs/dbraw/zinc/51/02/46/415510246.db2.gz RZLWHHOTYHFBTK-RQJABVFESA-N 1 2 297.399 0.738 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000665512445 416442948 /nfs/dbraw/zinc/44/29/48/416442948.db2.gz HWIKCPHOECGQAD-HNNXBMFYSA-N 1 2 275.352 0.663 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162614 226066166 /nfs/dbraw/zinc/06/61/66/226066166.db2.gz IDHKPVHHNFJQMH-MGNBDDOMSA-N 1 2 271.386 0.248 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162614 226066172 /nfs/dbraw/zinc/06/61/72/226066172.db2.gz IDHKPVHHNFJQMH-MGNBDDOMSA-N 1 2 271.386 0.248 20 30 CCEDLO Cc1nc(CCNC(=O)NCC[NH+]2CCOCC2)c(C)o1 ZINC000329109849 227301424 /nfs/dbraw/zinc/30/14/24/227301424.db2.gz JBIFPBPXYKJJLS-UHFFFAOYSA-N 1 2 296.371 0.670 20 30 CCEDLO Cc1cnc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)o1 ZINC000330007009 228014837 /nfs/dbraw/zinc/01/48/37/228014837.db2.gz DGYJEQFZXOUHNA-VIFPVBQESA-N 1 2 254.290 0.640 20 30 CCEDLO Cc1cnc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)o1 ZINC000330007009 228014838 /nfs/dbraw/zinc/01/48/38/228014838.db2.gz DGYJEQFZXOUHNA-VIFPVBQESA-N 1 2 254.290 0.640 20 30 CCEDLO O=C(CN1CCOCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330293249 228103785 /nfs/dbraw/zinc/10/37/85/228103785.db2.gz DPUUQGAMYDUQEB-NSHDSACASA-N 1 2 264.329 0.487 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330132098 228046310 /nfs/dbraw/zinc/04/63/10/228046310.db2.gz LHGPDZFLEWLURL-TZMCWYRMSA-N 1 2 297.399 0.732 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cncnc2C1 ZINC000332677018 228165073 /nfs/dbraw/zinc/16/50/73/228165073.db2.gz GSJBEALLCGUGDM-LLVKDONJSA-N 1 2 273.340 0.595 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cncnc2C1 ZINC000332677018 228165074 /nfs/dbraw/zinc/16/50/74/228165074.db2.gz GSJBEALLCGUGDM-LLVKDONJSA-N 1 2 273.340 0.595 20 30 CCEDLO CN1C(=O)CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329429560 545022988 /nfs/dbraw/zinc/02/29/88/545022988.db2.gz HXIYWPQCHULDEJ-LLVKDONJSA-N 1 2 283.372 0.675 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC(=O)N1C ZINC000329962455 545027695 /nfs/dbraw/zinc/02/76/95/545027695.db2.gz PFMHGQAHTVVZIH-GHMZBOCLSA-N 1 2 269.345 0.284 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000330954746 260106863 /nfs/dbraw/zinc/10/68/63/260106863.db2.gz GUOFUZQAPCBPGZ-TZMCWYRMSA-N 1 2 299.440 0.841 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000330954746 260106865 /nfs/dbraw/zinc/10/68/65/260106865.db2.gz GUOFUZQAPCBPGZ-TZMCWYRMSA-N 1 2 299.440 0.841 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000408104018 260232276 /nfs/dbraw/zinc/23/22/76/260232276.db2.gz OLSJHAQHHPNYJZ-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000408104018 260232278 /nfs/dbraw/zinc/23/22/78/260232278.db2.gz OLSJHAQHHPNYJZ-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC1(C#N)CCCCC1 ZINC000076185387 260293265 /nfs/dbraw/zinc/29/32/65/260293265.db2.gz CXHCEKVKWZDOKO-UHFFFAOYSA-N 1 2 257.337 0.897 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158161452 261159963 /nfs/dbraw/zinc/15/99/63/261159963.db2.gz JHNFUPMHDUXFNA-SNVBAGLBSA-N 1 2 287.319 0.396 20 30 CCEDLO C#CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000490671334 261180879 /nfs/dbraw/zinc/18/08/79/261180879.db2.gz RGIJAFWWTFSHAI-UHFFFAOYSA-N 1 2 255.281 0.804 20 30 CCEDLO CCOCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000175980383 261258939 /nfs/dbraw/zinc/25/89/39/261258939.db2.gz YTXYLGMELQBBNM-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO CCOCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000175980383 261258941 /nfs/dbraw/zinc/25/89/41/261258941.db2.gz YTXYLGMELQBBNM-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000490964040 261268603 /nfs/dbraw/zinc/26/86/03/261268603.db2.gz YMYYECGDICXJPR-CHWSQXEVSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC000490964040 261268604 /nfs/dbraw/zinc/26/86/04/261268604.db2.gz YMYYECGDICXJPR-CHWSQXEVSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)C1CC1 ZINC000491803531 262069718 /nfs/dbraw/zinc/06/97/18/262069718.db2.gz JWMGFOVGMIUAHP-UHFFFAOYSA-N 1 2 263.341 0.852 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NC1CCCC1)C1CC1 ZINC000491803531 262069719 /nfs/dbraw/zinc/06/97/19/262069719.db2.gz JWMGFOVGMIUAHP-UHFFFAOYSA-N 1 2 263.341 0.852 20 30 CCEDLO COC(=O)c1coc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000266758852 262919085 /nfs/dbraw/zinc/91/90/85/262919085.db2.gz UZUJSMFJAUUBOA-UHFFFAOYSA-N 1 2 263.297 0.707 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000088476640 263054001 /nfs/dbraw/zinc/05/40/01/263054001.db2.gz PZNUKTBBZLFJRK-JTQLQIEISA-N 1 2 257.359 0.256 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000283101738 263080997 /nfs/dbraw/zinc/08/09/97/263080997.db2.gz XCLAXHRINJHZAH-DTQAZKPQSA-N 1 2 291.351 0.842 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2nnn(C)n2)cc1 ZINC000283467717 263083017 /nfs/dbraw/zinc/08/30/17/263083017.db2.gz GIVYZZYNIDOQLV-UHFFFAOYSA-N 1 2 262.273 0.056 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccco1)[C@@H]1CCCO1 ZINC000283997203 263085321 /nfs/dbraw/zinc/08/53/21/263085321.db2.gz HFRYUBFPKJOGFY-JTQLQIEISA-N 1 2 267.285 0.364 20 30 CCEDLO NC(=O)c1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284378385 263086720 /nfs/dbraw/zinc/08/67/20/263086720.db2.gz LWXIPSQSVGEOKT-NSHDSACASA-N 1 2 263.297 0.753 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340227187 263098164 /nfs/dbraw/zinc/09/81/64/263098164.db2.gz VVUFAAPQABRSNG-RYUDHWBXSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227187 263098165 /nfs/dbraw/zinc/09/81/65/263098165.db2.gz VVUFAAPQABRSNG-RYUDHWBXSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN1CC[C@@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000289324509 263108975 /nfs/dbraw/zinc/10/89/75/263108975.db2.gz CSYVCBFKUCZIIZ-VHSXEESVSA-N 1 2 253.302 0.241 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000045753609 263302856 /nfs/dbraw/zinc/30/28/56/263302856.db2.gz MZJHRYQRHVQYLF-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000045753609 263302858 /nfs/dbraw/zinc/30/28/58/263302858.db2.gz MZJHRYQRHVQYLF-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000341814487 263351802 /nfs/dbraw/zinc/35/18/02/263351802.db2.gz PKGFXFCODXWWIM-CYBMUJFWSA-N 1 2 299.415 0.581 20 30 CCEDLO C[C@H](CNC(=O)N1CCCCO1)[NH+]1CCOCC1 ZINC000328719848 263839120 /nfs/dbraw/zinc/83/91/20/263839120.db2.gz VUCMRPHMNBVFGL-LLVKDONJSA-N 1 2 257.334 0.649 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330679233 264002997 /nfs/dbraw/zinc/00/29/97/264002997.db2.gz DDZZONVRPCQVPL-JTQLQIEISA-N 1 2 267.333 0.560 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330679233 264002999 /nfs/dbraw/zinc/00/29/99/264002999.db2.gz DDZZONVRPCQVPL-JTQLQIEISA-N 1 2 267.333 0.560 20 30 CCEDLO C=CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330689528 264003532 /nfs/dbraw/zinc/00/35/32/264003532.db2.gz YAPIAJUQMYKQNQ-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330689528 264003534 /nfs/dbraw/zinc/00/35/34/264003534.db2.gz YAPIAJUQMYKQNQ-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000330709778 264021140 /nfs/dbraw/zinc/02/11/40/264021140.db2.gz WSFVCLHUAGIANP-UHFFFAOYSA-N 1 2 296.375 0.372 20 30 CCEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000330709778 264021142 /nfs/dbraw/zinc/02/11/42/264021142.db2.gz WSFVCLHUAGIANP-UHFFFAOYSA-N 1 2 296.375 0.372 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330768170 264033462 /nfs/dbraw/zinc/03/34/62/264033462.db2.gz SGKJSGMXXDZIHY-NSHDSACASA-N 1 2 298.387 0.417 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330768170 264033463 /nfs/dbraw/zinc/03/34/63/264033463.db2.gz SGKJSGMXXDZIHY-NSHDSACASA-N 1 2 298.387 0.417 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773768 264034309 /nfs/dbraw/zinc/03/43/09/264034309.db2.gz FXURFKUUKWSLSM-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773768 264034312 /nfs/dbraw/zinc/03/43/12/264034312.db2.gz FXURFKUUKWSLSM-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO Cc1ccc(CN(CC#N)S(=O)(=O)N(C)C)c(C)[nH+]1 ZINC000330811030 264044112 /nfs/dbraw/zinc/04/41/12/264044112.db2.gz AQFCJARGKFNXRK-UHFFFAOYSA-N 1 2 282.369 0.830 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330785652 264053484 /nfs/dbraw/zinc/05/34/84/264053484.db2.gz UIOPCPYHDSWXBY-UHFFFAOYSA-N 1 2 281.356 0.634 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330859481 264055431 /nfs/dbraw/zinc/05/54/31/264055431.db2.gz VJCQRMQGONOKCP-SNVBAGLBSA-N 1 2 289.401 0.226 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330859481 264055432 /nfs/dbraw/zinc/05/54/32/264055432.db2.gz VJCQRMQGONOKCP-SNVBAGLBSA-N 1 2 289.401 0.226 20 30 CCEDLO CC[C@H](COC)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330884164 264062920 /nfs/dbraw/zinc/06/29/20/264062920.db2.gz KMESEHAYMXEEHQ-NEPJUHHUSA-N 1 2 272.393 0.161 20 30 CCEDLO CC[C@H](COC)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330884164 264062921 /nfs/dbraw/zinc/06/29/21/264062921.db2.gz KMESEHAYMXEEHQ-NEPJUHHUSA-N 1 2 272.393 0.161 20 30 CCEDLO Cc1[nH]ncc1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000330954049 264086277 /nfs/dbraw/zinc/08/62/77/264086277.db2.gz AFXBYQTXZBYHTA-UHFFFAOYSA-N 1 2 295.387 0.521 20 30 CCEDLO Cc1[nH]ncc1CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000330954049 264086279 /nfs/dbraw/zinc/08/62/79/264086279.db2.gz AFXBYQTXZBYHTA-UHFFFAOYSA-N 1 2 295.387 0.521 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000331026800 264099777 /nfs/dbraw/zinc/09/97/77/264099777.db2.gz PLIXPLIUUKFPEH-LLVKDONJSA-N 1 2 293.371 0.773 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000331229833 264152115 /nfs/dbraw/zinc/15/21/15/264152115.db2.gz POPYDNPSGRGFPW-UHFFFAOYSA-N 1 2 298.412 0.444 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000331194466 264158539 /nfs/dbraw/zinc/15/85/39/264158539.db2.gz MSGXSQVEVNSKEJ-TZMCWYRMSA-N 1 2 268.357 0.247 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412187 264338585 /nfs/dbraw/zinc/33/85/85/264338585.db2.gz YXPGFAZENAQSNL-TXEJJXNPSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412187 264338588 /nfs/dbraw/zinc/33/85/88/264338588.db2.gz YXPGFAZENAQSNL-TXEJJXNPSA-N 1 2 253.346 0.858 20 30 CCEDLO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N(CCC#N)CCC#N ZINC000077367779 264351597 /nfs/dbraw/zinc/35/15/97/264351597.db2.gz PMTTZJDDRBLRNW-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000280611398 264455519 /nfs/dbraw/zinc/45/55/19/264455519.db2.gz QKQFPGCRXYUQQO-UHFFFAOYSA-N 1 2 296.396 0.813 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000293045710 264917436 /nfs/dbraw/zinc/91/74/36/264917436.db2.gz HLUMLQDNDKRFQS-LBPRGKRZSA-N 1 2 260.341 0.789 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000293045710 264917438 /nfs/dbraw/zinc/91/74/38/264917438.db2.gz HLUMLQDNDKRFQS-LBPRGKRZSA-N 1 2 260.341 0.789 20 30 CCEDLO CCO[C@@H](CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000518931674 265229606 /nfs/dbraw/zinc/22/96/06/265229606.db2.gz PQAFHXPMDQNJRB-AWEZNQCLSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC000518998393 265289990 /nfs/dbraw/zinc/28/99/90/265289990.db2.gz IWPPCTMHWSPRFF-WCQYABFASA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC000518998393 265289994 /nfs/dbraw/zinc/28/99/94/265289994.db2.gz IWPPCTMHWSPRFF-WCQYABFASA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356451491 266117599 /nfs/dbraw/zinc/11/75/99/266117599.db2.gz GZZZAMQUOCGZNN-NSHDSACASA-N 1 2 277.372 0.665 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356451491 266117600 /nfs/dbraw/zinc/11/76/00/266117600.db2.gz GZZZAMQUOCGZNN-NSHDSACASA-N 1 2 277.372 0.665 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368800772 267206601 /nfs/dbraw/zinc/20/66/01/267206601.db2.gz RUFADEPKEQOSFH-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000368800772 267206602 /nfs/dbraw/zinc/20/66/02/267206602.db2.gz RUFADEPKEQOSFH-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369311385 267234778 /nfs/dbraw/zinc/23/47/78/267234778.db2.gz GQILHPHEGKXYPZ-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369311385 267234782 /nfs/dbraw/zinc/23/47/82/267234782.db2.gz GQILHPHEGKXYPZ-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000369536806 267248622 /nfs/dbraw/zinc/24/86/22/267248622.db2.gz LCPNFFFGUZJMFS-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000369536806 267248623 /nfs/dbraw/zinc/24/86/23/267248623.db2.gz LCPNFFFGUZJMFS-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO CC#CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000119494334 267338765 /nfs/dbraw/zinc/33/87/65/267338765.db2.gz ZRZKIQAVOYMWSO-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO CC#CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000119494334 267338768 /nfs/dbraw/zinc/33/87/68/267338768.db2.gz ZRZKIQAVOYMWSO-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(SC)CC2)c1C#N ZINC000530564169 267347579 /nfs/dbraw/zinc/34/75/79/267347579.db2.gz LIHLONPNTAFODE-UHFFFAOYSA-N 1 2 293.396 0.689 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000519175529 267350577 /nfs/dbraw/zinc/35/05/77/267350577.db2.gz JBHBJMTUTQLTHI-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000519175529 267350579 /nfs/dbraw/zinc/35/05/79/267350579.db2.gz JBHBJMTUTQLTHI-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CC)C[C@H](C)C#N ZINC000120178240 267389776 /nfs/dbraw/zinc/38/97/76/267389776.db2.gz VFEMOSGLARVFLH-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CC)C[C@H](C)C#N ZINC000120178240 267389778 /nfs/dbraw/zinc/38/97/78/267389778.db2.gz VFEMOSGLARVFLH-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1=O ZINC000377110969 268048494 /nfs/dbraw/zinc/04/84/94/268048494.db2.gz FNSSGUPOIGSGBP-IHRRRGAJSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1=O ZINC000377110969 268048496 /nfs/dbraw/zinc/04/84/96/268048496.db2.gz FNSSGUPOIGSGBP-IHRRRGAJSA-N 1 2 280.368 0.653 20 30 CCEDLO COc1nc(N(C)C)sc1C=[NH+]OCC(N)=O ZINC000771575658 581809895 /nfs/dbraw/zinc/80/98/95/581809895.db2.gz VSSQPCWCVYAUDW-UHFFFAOYSA-N 1 2 258.303 0.054 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)C(N)=O ZINC000120894722 277217826 /nfs/dbraw/zinc/21/78/26/277217826.db2.gz JSHRTVSIPZIFLH-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)C(N)=O ZINC000120894722 277217827 /nfs/dbraw/zinc/21/78/27/277217827.db2.gz JSHRTVSIPZIFLH-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nncn1C ZINC000358786511 328895182 /nfs/dbraw/zinc/89/51/82/328895182.db2.gz BUXQTZDCMZNRND-GHMZBOCLSA-N 1 2 278.360 0.474 20 30 CCEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000289968189 328527802 /nfs/dbraw/zinc/52/78/02/328527802.db2.gz IYCMKXAXDSSXGM-CYBMUJFWSA-N 1 2 272.348 0.693 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@@H]1CCOC1 ZINC000558898694 327130488 /nfs/dbraw/zinc/13/04/88/327130488.db2.gz LUUNDHOVPHNCIE-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCOCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569422543 327174997 /nfs/dbraw/zinc/17/49/97/327174997.db2.gz DDOJQNJKNPZQFQ-ZDUSSCGKSA-N 1 2 253.346 0.929 20 30 CCEDLO N#Cc1nc(NC(=O)CCC2CC[NH2+]CC2)[nH]c1C#N ZINC000573562356 327197039 /nfs/dbraw/zinc/19/70/39/327197039.db2.gz AEIUCDDOEBBKNV-UHFFFAOYSA-N 1 2 272.312 0.871 20 30 CCEDLO CCc1nc(CO[NH+]=C(N)CN2CCOCC2)cs1 ZINC000111181760 327277394 /nfs/dbraw/zinc/27/73/94/327277394.db2.gz FOMQFIIMVCLXEH-UHFFFAOYSA-N 1 2 284.385 0.827 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000566309396 327299343 /nfs/dbraw/zinc/29/93/43/327299343.db2.gz PBUCUJASBAFSNR-LBPRGKRZSA-N 1 2 277.284 0.563 20 30 CCEDLO CN(C)C[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000570336344 327584566 /nfs/dbraw/zinc/58/45/66/327584566.db2.gz PVLVFRHBJGFUFH-AWEZNQCLSA-N 1 2 271.324 0.908 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361899456 328927674 /nfs/dbraw/zinc/92/76/74/328927674.db2.gz ISFCEXDZNWLIPC-ZDUSSCGKSA-N 1 2 288.413 0.546 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccoc1 ZINC000122300813 329001010 /nfs/dbraw/zinc/00/10/10/329001010.db2.gz RQOSXPUKVAUHMX-UHFFFAOYSA-N 1 2 291.351 0.897 20 30 CCEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CC#N ZINC000377614947 329020520 /nfs/dbraw/zinc/02/05/20/329020520.db2.gz LTJNIAGBAUFHSP-ZDUSSCGKSA-N 1 2 269.308 0.639 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000171402100 329075343 /nfs/dbraw/zinc/07/53/43/329075343.db2.gz MZUGVJCCBBABBF-DOMZBBRYSA-N 1 2 294.399 0.641 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000171402100 329075344 /nfs/dbraw/zinc/07/53/44/329075344.db2.gz MZUGVJCCBBABBF-DOMZBBRYSA-N 1 2 294.399 0.641 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000171861535 329080708 /nfs/dbraw/zinc/08/07/08/329080708.db2.gz KAFIBWFRRSGONF-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO COC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000177028547 329178466 /nfs/dbraw/zinc/17/84/66/329178466.db2.gz HCPZEIYQVLRVJI-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO COC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000177028547 329178467 /nfs/dbraw/zinc/17/84/67/329178467.db2.gz HCPZEIYQVLRVJI-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO COC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000177028547 329178468 /nfs/dbraw/zinc/17/84/68/329178468.db2.gz HCPZEIYQVLRVJI-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178730252 329200321 /nfs/dbraw/zinc/20/03/21/329200321.db2.gz BMMHJJPGPSJDKK-QWHCGFSZSA-N 1 2 267.373 0.084 20 30 CCEDLO CO[C@@H](C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183356758 329247409 /nfs/dbraw/zinc/24/74/09/329247409.db2.gz UQCVYPSDJKNBKJ-AWEZNQCLSA-N 1 2 297.399 0.876 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000188302804 329366142 /nfs/dbraw/zinc/36/61/42/329366142.db2.gz NOQZJLPREKACQI-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000188302804 329366143 /nfs/dbraw/zinc/36/61/43/329366143.db2.gz NOQZJLPREKACQI-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000189595900 329383810 /nfs/dbraw/zinc/38/38/10/329383810.db2.gz OKEVWEDGKSNQCS-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190223707 329393391 /nfs/dbraw/zinc/39/33/91/329393391.db2.gz TYJWSERCCLODFJ-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190223707 329393392 /nfs/dbraw/zinc/39/33/92/329393392.db2.gz TYJWSERCCLODFJ-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO N#Cc1nccc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000583882568 329525784 /nfs/dbraw/zinc/52/57/84/329525784.db2.gz MCKRYAIRJIMAJO-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO C=CCN(C(=O)C[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000070448002 329855597 /nfs/dbraw/zinc/85/55/97/329855597.db2.gz UICSREPJHMBZEH-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C[C@@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(F)(F)F ZINC000572012327 329937033 /nfs/dbraw/zinc/93/70/33/329937033.db2.gz OEPSPXHAAYEALQ-SNVBAGLBSA-N 1 2 279.262 0.358 20 30 CCEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1C(C)C ZINC000572291525 329972906 /nfs/dbraw/zinc/97/29/06/329972906.db2.gz QBWCHUXKHZZPKN-CYBMUJFWSA-N 1 2 278.360 0.741 20 30 CCEDLO CC(C)OCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162513006 330064461 /nfs/dbraw/zinc/06/44/61/330064461.db2.gz JYPZWJVNSGVUDR-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033643 330324214 /nfs/dbraw/zinc/32/42/14/330324214.db2.gz DKXBYYJEIXCNGX-QWHCGFSZSA-N 1 2 275.356 0.920 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033643 330324215 /nfs/dbraw/zinc/32/42/15/330324215.db2.gz DKXBYYJEIXCNGX-QWHCGFSZSA-N 1 2 275.356 0.920 20 30 CCEDLO C=CCCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425282573 330495051 /nfs/dbraw/zinc/49/50/51/330495051.db2.gz AISNNXKSVSCPTQ-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO CC1(C)CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@H]1C#N ZINC000444724761 330821938 /nfs/dbraw/zinc/82/19/38/330821938.db2.gz LEWVEJILUJHJHT-KBPBESRZSA-N 1 2 281.400 0.694 20 30 CCEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000451930275 331047518 /nfs/dbraw/zinc/04/75/18/331047518.db2.gz PLQOFDMEMRTWNV-GHMZBOCLSA-N 1 2 299.400 0.890 20 30 CCEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000451930277 331047537 /nfs/dbraw/zinc/04/75/37/331047537.db2.gz PLQOFDMEMRTWNV-MNOVXSKESA-N 1 2 299.400 0.890 20 30 CCEDLO C=C(C)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000452723695 331074110 /nfs/dbraw/zinc/07/41/10/331074110.db2.gz ONQRSFBEPJSEKW-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=C(C)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000452723695 331074111 /nfs/dbraw/zinc/07/41/11/331074111.db2.gz ONQRSFBEPJSEKW-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163809084 331116308 /nfs/dbraw/zinc/11/63/08/331116308.db2.gz NEUIUMWFSRTLNT-CYBMUJFWSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163809084 331116309 /nfs/dbraw/zinc/11/63/09/331116309.db2.gz NEUIUMWFSRTLNT-CYBMUJFWSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221860 331186648 /nfs/dbraw/zinc/18/66/48/331186648.db2.gz ZLFAGNXTJXWCNG-OKILXGFUSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221860 331186649 /nfs/dbraw/zinc/18/66/49/331186649.db2.gz ZLFAGNXTJXWCNG-OKILXGFUSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)N[C@H](C)C1=O ZINC000459483469 331284219 /nfs/dbraw/zinc/28/42/19/331284219.db2.gz BTIVYRLYTZEWKP-SNVBAGLBSA-N 1 2 250.302 0.328 20 30 CCEDLO C=CC[N@H+](CCC#N)CCN1C(=O)N[C@H](C)C1=O ZINC000459483469 331284220 /nfs/dbraw/zinc/28/42/20/331284220.db2.gz BTIVYRLYTZEWKP-SNVBAGLBSA-N 1 2 250.302 0.328 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490742511 332112342 /nfs/dbraw/zinc/11/23/42/332112342.db2.gz YKKUQKZNLIFOAD-AVGNSLFASA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490742511 332112343 /nfs/dbraw/zinc/11/23/43/332112343.db2.gz YKKUQKZNLIFOAD-AVGNSLFASA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)NC)n1 ZINC000490840189 332119398 /nfs/dbraw/zinc/11/93/98/332119398.db2.gz MLCCACYXLUZDDD-UHFFFAOYSA-N 1 2 251.355 0.887 20 30 CCEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)NC)n1 ZINC000490840189 332119400 /nfs/dbraw/zinc/11/94/00/332119400.db2.gz MLCCACYXLUZDDD-UHFFFAOYSA-N 1 2 251.355 0.887 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000490852929 332120999 /nfs/dbraw/zinc/12/09/99/332120999.db2.gz OOKIXUCSBFDJTJ-UHFFFAOYSA-N 1 2 283.375 0.780 20 30 CCEDLO C#CC[N@@H+](Cc1nc(N)nc(N)n1)C1CCCCC1 ZINC000490865817 332121780 /nfs/dbraw/zinc/12/17/80/332121780.db2.gz IDCXOKJTVNWLJK-UHFFFAOYSA-N 1 2 260.345 0.465 20 30 CCEDLO C#CC[N@H+](Cc1nc(N)nc(N)n1)C1CCCCC1 ZINC000490865817 332121782 /nfs/dbraw/zinc/12/17/82/332121782.db2.gz IDCXOKJTVNWLJK-UHFFFAOYSA-N 1 2 260.345 0.465 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)OC[C@@H]2CCCO2)CC1 ZINC000491071578 332146601 /nfs/dbraw/zinc/14/66/01/332146601.db2.gz LPBFFQQKMICLHZ-LBPRGKRZSA-N 1 2 252.314 0.553 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000491125259 332153341 /nfs/dbraw/zinc/15/33/41/332153341.db2.gz CHTIOUFPZKVWRQ-UHFFFAOYSA-N 1 2 292.408 0.319 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1c[nH+]ccc1OC ZINC000491338098 332192339 /nfs/dbraw/zinc/19/23/39/332192339.db2.gz GDFQPJOVBNUQFZ-LBPRGKRZSA-N 1 2 275.308 0.634 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491543444 332233896 /nfs/dbraw/zinc/23/38/96/332233896.db2.gz GWTIEOBTWIIJNR-ZDUSSCGKSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491543444 332233897 /nfs/dbraw/zinc/23/38/97/332233897.db2.gz GWTIEOBTWIIJNR-ZDUSSCGKSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000491635439 332256615 /nfs/dbraw/zinc/25/66/15/332256615.db2.gz VAFPUIFOZXPNFY-ZWNOBZJWSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000491635439 332256616 /nfs/dbraw/zinc/25/66/16/332256616.db2.gz VAFPUIFOZXPNFY-ZWNOBZJWSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000491705896 332298917 /nfs/dbraw/zinc/29/89/17/332298917.db2.gz MJQSJASLCNUGAX-MNOVXSKESA-N 1 2 259.309 0.690 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000491770281 332337135 /nfs/dbraw/zinc/33/71/35/332337135.db2.gz OFBPELVHBUNQBM-QWHCGFSZSA-N 1 2 279.384 0.903 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@]1(C#N)CCOC1 ZINC000492699747 332409963 /nfs/dbraw/zinc/40/99/63/332409963.db2.gz BXIONLGQGNQJPB-OOPCZODUSA-N 1 2 260.297 0.715 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305197475 332986660 /nfs/dbraw/zinc/98/66/60/332986660.db2.gz ZPPNEYRHESFLTL-KOLCDFICSA-N 1 2 292.301 0.760 20 30 CCEDLO C[C@@H](CC#N)N(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177374946 333058360 /nfs/dbraw/zinc/05/83/60/333058360.db2.gz AZRHDEZJFULONQ-ZDUSSCGKSA-N 1 2 296.415 0.447 20 30 CCEDLO COC[C@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517153412 333093633 /nfs/dbraw/zinc/09/36/33/333093633.db2.gz DADSVHKIHIKYDF-DMDPSCGWSA-N 1 2 255.362 0.865 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000184441805 333128670 /nfs/dbraw/zinc/12/86/70/333128670.db2.gz QHILCSNIKYCUCW-KBPBESRZSA-N 1 2 284.400 0.740 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000195335374 333250480 /nfs/dbraw/zinc/25/04/80/333250480.db2.gz OSAMQKVVELBPIF-UHFFFAOYSA-N 1 2 283.335 0.209 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000249538710 334336085 /nfs/dbraw/zinc/33/60/85/334336085.db2.gz DFQKXKVYCXIEPH-HUUCEWRRSA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000249538710 334336086 /nfs/dbraw/zinc/33/60/86/334336086.db2.gz DFQKXKVYCXIEPH-HUUCEWRRSA-N 1 2 295.427 0.574 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000567335796 334704934 /nfs/dbraw/zinc/70/49/34/334704934.db2.gz KEIPDGBXSRYXDJ-NEPJUHHUSA-N 1 2 254.330 0.026 20 30 CCEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000567903377 334773995 /nfs/dbraw/zinc/77/39/95/334773995.db2.gz QQRXYIMWSVSJQG-SMDDNHRTSA-N 1 2 277.372 0.874 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccncc1F ZINC000567995660 334782836 /nfs/dbraw/zinc/78/28/36/334782836.db2.gz RIAKCRCEJGHMMS-GFCCVEGCSA-N 1 2 250.277 0.794 20 30 CCEDLO Cc1cc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000581425649 336075279 /nfs/dbraw/zinc/07/52/79/336075279.db2.gz RWDNNEXFQJUTGZ-NHYWBVRUSA-N 1 2 299.334 0.474 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000581640015 336115823 /nfs/dbraw/zinc/11/58/23/336115823.db2.gz UIKBKVGDMZJHOG-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC(=O)N1 ZINC000581767692 336144634 /nfs/dbraw/zinc/14/46/34/336144634.db2.gz OLEHIQNSGKBTSI-VIFPVBQESA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CC(=O)N1 ZINC000581767692 336144636 /nfs/dbraw/zinc/14/46/36/336144636.db2.gz OLEHIQNSGKBTSI-VIFPVBQESA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc2n[nH]nc2c1 ZINC000329149493 533846444 /nfs/dbraw/zinc/84/64/44/533846444.db2.gz QRKFZONNEBLPEW-VIFPVBQESA-N 1 2 290.327 0.378 20 30 CCEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347259444 534264840 /nfs/dbraw/zinc/26/48/40/534264840.db2.gz YWWAXWFVAAEZSS-ZDUSSCGKSA-N 1 2 278.356 0.279 20 30 CCEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347259444 534264843 /nfs/dbraw/zinc/26/48/43/534264843.db2.gz YWWAXWFVAAEZSS-ZDUSSCGKSA-N 1 2 278.356 0.279 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329110292 534589025 /nfs/dbraw/zinc/58/90/25/534589025.db2.gz JJBYPZFTTGTEME-RYUDHWBXSA-N 1 2 280.328 0.412 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329110292 534589027 /nfs/dbraw/zinc/58/90/27/534589027.db2.gz JJBYPZFTTGTEME-RYUDHWBXSA-N 1 2 280.328 0.412 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(C)=O)CC2(C)C)C1=O ZINC000334928910 526508783 /nfs/dbraw/zinc/50/87/83/526508783.db2.gz DKUPPTUCMNOQCI-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(C)=O)CC2(C)C)C1=O ZINC000334928910 526508789 /nfs/dbraw/zinc/50/87/89/526508789.db2.gz DKUPPTUCMNOQCI-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331364774 526537295 /nfs/dbraw/zinc/53/72/95/526537295.db2.gz BTDJENVSVOGVMH-UHFFFAOYSA-N 1 2 262.357 0.210 20 30 CCEDLO C=CCNC(=O)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345579907 526557566 /nfs/dbraw/zinc/55/75/66/526557566.db2.gz YMKNLXGAVIHVLH-GFCCVEGCSA-N 1 2 291.355 0.473 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331573384 526608539 /nfs/dbraw/zinc/60/85/39/526608539.db2.gz ZZXVGEATADMQKK-CMPLNLGQSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331573384 526608544 /nfs/dbraw/zinc/60/85/44/526608544.db2.gz ZZXVGEATADMQKK-CMPLNLGQSA-N 1 2 281.356 0.498 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000668253622 545169512 /nfs/dbraw/zinc/16/95/12/545169512.db2.gz HSXXBQWGQLGHRJ-TZMCWYRMSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000668253622 545169513 /nfs/dbraw/zinc/16/95/13/545169513.db2.gz HSXXBQWGQLGHRJ-TZMCWYRMSA-N 1 2 297.399 0.294 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000330319438 527716691 /nfs/dbraw/zinc/71/66/91/527716691.db2.gz RHRHOWDLHDFIEO-GFCCVEGCSA-N 1 2 281.356 0.284 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000330319438 527716696 /nfs/dbraw/zinc/71/66/96/527716696.db2.gz RHRHOWDLHDFIEO-GFCCVEGCSA-N 1 2 281.356 0.284 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000674235457 545300576 /nfs/dbraw/zinc/30/05/76/545300576.db2.gz AEOULYLVMXFZMH-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000674235457 545300577 /nfs/dbraw/zinc/30/05/77/545300577.db2.gz AEOULYLVMXFZMH-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191466674 535494334 /nfs/dbraw/zinc/49/43/34/535494334.db2.gz HKGQTPVJSNWMOS-CYBMUJFWSA-N 1 2 296.396 0.410 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191466674 535494340 /nfs/dbraw/zinc/49/43/40/535494340.db2.gz HKGQTPVJSNWMOS-CYBMUJFWSA-N 1 2 296.396 0.410 20 30 CCEDLO CCC#C[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000678974902 545400730 /nfs/dbraw/zinc/40/07/30/545400730.db2.gz HTJWRBUITNVLMK-NEPJUHHUSA-N 1 2 258.387 0.754 20 30 CCEDLO CCC#C[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000678974902 545400731 /nfs/dbraw/zinc/40/07/31/545400731.db2.gz HTJWRBUITNVLMK-NEPJUHHUSA-N 1 2 258.387 0.754 20 30 CCEDLO C=C(C)C[N@@H+](C)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000777959457 581139246 /nfs/dbraw/zinc/13/92/46/581139246.db2.gz KKIDAIXQSRCDRE-UHFFFAOYSA-N 1 2 281.312 0.922 20 30 CCEDLO C=C(C)C[N@H+](C)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000777959457 581139248 /nfs/dbraw/zinc/13/92/48/581139248.db2.gz KKIDAIXQSRCDRE-UHFFFAOYSA-N 1 2 281.312 0.922 20 30 CCEDLO C#Cc1cccc(NC(=O)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000788289487 581103990 /nfs/dbraw/zinc/10/39/90/581103990.db2.gz WEZQDINWZREFSN-UHFFFAOYSA-N 1 2 296.330 0.997 20 30 CCEDLO C#Cc1cccc(NC(=O)CNC(=O)Cc2[nH+]c[nH]c2C)c1 ZINC000788289487 581103991 /nfs/dbraw/zinc/10/39/91/581103991.db2.gz WEZQDINWZREFSN-UHFFFAOYSA-N 1 2 296.330 0.997 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H](CO)c1ccccc1 ZINC000788469103 581112637 /nfs/dbraw/zinc/11/26/37/581112637.db2.gz NOLUXZYXRFWBEJ-LBPRGKRZSA-N 1 2 287.323 0.725 20 30 CCEDLO C=C(C)C[N@@H+](C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000777959588 581139336 /nfs/dbraw/zinc/13/93/36/581139336.db2.gz SIZQHTLMQZUACM-UHFFFAOYSA-N 1 2 272.374 0.599 20 30 CCEDLO C=C(C)C[N@H+](C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000777959588 581139338 /nfs/dbraw/zinc/13/93/38/581139338.db2.gz SIZQHTLMQZUACM-UHFFFAOYSA-N 1 2 272.374 0.599 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000784325320 581167373 /nfs/dbraw/zinc/16/73/73/581167373.db2.gz GHRPAUPWORDDFD-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO Cc1cc2c(c(F)c1)NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000779802530 581206922 /nfs/dbraw/zinc/20/69/22/581206922.db2.gz HQTGROJUEFZNFA-SSDOTTSWSA-N 1 2 275.287 0.728 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(O)ccc2[N+](=O)[O-])N1 ZINC000779803324 581207457 /nfs/dbraw/zinc/20/74/57/581207457.db2.gz OVNKVRCNYBFJFD-SSDOTTSWSA-N 1 2 263.257 0.572 20 30 CCEDLO C=C(CO)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000791300257 581213254 /nfs/dbraw/zinc/21/32/54/581213254.db2.gz IRIKPGKZRQJJSF-OAHLLOKOSA-N 1 2 290.363 0.725 20 30 CCEDLO C=C(CO)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000791348087 581216430 /nfs/dbraw/zinc/21/64/30/581216430.db2.gz CKQMYDMCFUNIOG-UHFFFAOYSA-N 1 2 281.381 0.726 20 30 CCEDLO C=C(CO)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000791348087 581216433 /nfs/dbraw/zinc/21/64/33/581216433.db2.gz CKQMYDMCFUNIOG-UHFFFAOYSA-N 1 2 281.381 0.726 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000726791758 581252081 /nfs/dbraw/zinc/25/20/81/581252081.db2.gz JNZGFGCYNONMPC-UHFFFAOYSA-N 1 2 292.364 0.770 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000726791758 581252085 /nfs/dbraw/zinc/25/20/85/581252085.db2.gz JNZGFGCYNONMPC-UHFFFAOYSA-N 1 2 292.364 0.770 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000780980647 581254035 /nfs/dbraw/zinc/25/40/35/581254035.db2.gz STKNHAIBIQBPKX-ZDUSSCGKSA-N 1 2 286.379 0.600 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000780980647 581254036 /nfs/dbraw/zinc/25/40/36/581254036.db2.gz STKNHAIBIQBPKX-ZDUSSCGKSA-N 1 2 286.379 0.600 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000781932601 581280807 /nfs/dbraw/zinc/28/08/07/581280807.db2.gz ANAXVFJCZZOMFD-QWRGUYRKSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000781932601 581280806 /nfs/dbraw/zinc/28/08/06/581280806.db2.gz ANAXVFJCZZOMFD-QWRGUYRKSA-N 1 2 254.334 0.166 20 30 CCEDLO C#CCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793804528 581313950 /nfs/dbraw/zinc/31/39/50/581313950.db2.gz KUOJAVFYIBYKSX-AWEZNQCLSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793804528 581313951 /nfs/dbraw/zinc/31/39/51/581313951.db2.gz KUOJAVFYIBYKSX-AWEZNQCLSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nccn1CC ZINC000782965891 581329389 /nfs/dbraw/zinc/32/93/89/581329389.db2.gz BCLMYXRCRUOYMZ-UHFFFAOYSA-N 1 2 257.359 0.593 20 30 CCEDLO C[C@H]1COC(=O)C1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000794940714 581391426 /nfs/dbraw/zinc/39/14/26/581391426.db2.gz ZIXFHQKXTIHPLL-QMMMGPOBSA-N 1 2 272.268 0.623 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000794953916 581392204 /nfs/dbraw/zinc/39/22/04/581392204.db2.gz STDZPGVWHVEOBC-NHAGDIPZSA-N 1 2 299.330 0.848 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000794953916 581392206 /nfs/dbraw/zinc/39/22/06/581392206.db2.gz STDZPGVWHVEOBC-NHAGDIPZSA-N 1 2 299.330 0.848 20 30 CCEDLO N#Cc1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000795977207 581429329 /nfs/dbraw/zinc/42/93/29/581429329.db2.gz UCIZHXPJCJZVEB-OKILXGFUSA-N 1 2 287.319 0.973 20 30 CCEDLO N#Cc1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000795977207 581429330 /nfs/dbraw/zinc/42/93/30/581429330.db2.gz UCIZHXPJCJZVEB-OKILXGFUSA-N 1 2 287.319 0.973 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000728864266 581514281 /nfs/dbraw/zinc/51/42/81/581514281.db2.gz DMHJWRMNRGMNTH-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000728864266 581514282 /nfs/dbraw/zinc/51/42/82/581514282.db2.gz DMHJWRMNRGMNTH-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#CCOCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000753379795 581537949 /nfs/dbraw/zinc/53/79/49/581537949.db2.gz UOKDMNHRSFHGDV-UHFFFAOYSA-N 1 2 276.340 0.949 20 30 CCEDLO C#CCOCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000753379795 581537950 /nfs/dbraw/zinc/53/79/50/581537950.db2.gz UOKDMNHRSFHGDV-UHFFFAOYSA-N 1 2 276.340 0.949 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC000729161949 581555294 /nfs/dbraw/zinc/55/52/94/581555294.db2.gz SCNLVSXSSXTAHL-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC000729161949 581555296 /nfs/dbraw/zinc/55/52/96/581555296.db2.gz SCNLVSXSSXTAHL-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO Cc1ccc2[nH+]cc(C=Nn3c(=O)cn[nH]c3=S)n2c1 ZINC000766474486 581567702 /nfs/dbraw/zinc/56/77/02/581567702.db2.gz MMJQXDXKVBFCGY-UHFFFAOYSA-N 1 2 286.320 0.765 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@H](C)CCOC)CC1 ZINC000766479374 581568372 /nfs/dbraw/zinc/56/83/72/581568372.db2.gz USHWAZUVEOUOMJ-CYBMUJFWSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000767073000 581594782 /nfs/dbraw/zinc/59/47/82/581594782.db2.gz WPPYKQUOHRWTME-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCC#N)[C@@H]2C1 ZINC000755052154 581623206 /nfs/dbraw/zinc/62/32/06/581623206.db2.gz AOKVEEHRXCKZQQ-UPJWGTAASA-N 1 2 281.356 0.285 20 30 CCEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCC#N)[C@@H]2C1 ZINC000755052154 581623207 /nfs/dbraw/zinc/62/32/07/581623207.db2.gz AOKVEEHRXCKZQQ-UPJWGTAASA-N 1 2 281.356 0.285 20 30 CCEDLO Cc1ccc2[nH+]cc(C=NN3CC(=O)NC3=O)n2c1 ZINC000755611729 581648371 /nfs/dbraw/zinc/64/83/71/581648371.db2.gz PKJQLVJEGWFJPQ-UHFFFAOYSA-N 1 2 257.253 0.528 20 30 CCEDLO C[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1O ZINC000768769411 581654618 /nfs/dbraw/zinc/65/46/18/581654618.db2.gz RFJWLXJKKNSJHV-SMDDNHRTSA-N 1 2 298.346 0.733 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1O ZINC000768769411 581654620 /nfs/dbraw/zinc/65/46/20/581654620.db2.gz RFJWLXJKKNSJHV-SMDDNHRTSA-N 1 2 298.346 0.733 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H]1O ZINC000768769408 581654944 /nfs/dbraw/zinc/65/49/44/581654944.db2.gz RFJWLXJKKNSJHV-RISCZKNCSA-N 1 2 298.346 0.733 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H]1O ZINC000768769408 581654946 /nfs/dbraw/zinc/65/49/46/581654946.db2.gz RFJWLXJKKNSJHV-RISCZKNCSA-N 1 2 298.346 0.733 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264736 581687752 /nfs/dbraw/zinc/68/77/52/581687752.db2.gz FOOANQSCIUIBCU-NSHDSACASA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264736 581687755 /nfs/dbraw/zinc/68/77/55/581687755.db2.gz FOOANQSCIUIBCU-NSHDSACASA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2ccncc2)CC1 ZINC000758190142 581725795 /nfs/dbraw/zinc/72/57/95/581725795.db2.gz PEJAGUFOVXWLHV-UHFFFAOYSA-N 1 2 274.393 0.707 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000731846260 581783043 /nfs/dbraw/zinc/78/30/43/581783043.db2.gz DHWFMRODNZOSHU-UONOGXRCSA-N 1 2 276.384 0.290 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000742764605 581795168 /nfs/dbraw/zinc/79/51/68/581795168.db2.gz SOAWVIWWSHHPNS-OAHLLOKOSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000771454113 581804165 /nfs/dbraw/zinc/80/41/65/581804165.db2.gz ZVHXAOWRXBHDLU-UHFFFAOYSA-N 1 2 286.331 0.581 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000771454113 581804168 /nfs/dbraw/zinc/80/41/68/581804168.db2.gz ZVHXAOWRXBHDLU-UHFFFAOYSA-N 1 2 286.331 0.581 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732809344 581850487 /nfs/dbraw/zinc/85/04/87/581850487.db2.gz VSPMRSOIQMFTFN-CYBMUJFWSA-N 1 2 292.383 0.493 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732809344 581850489 /nfs/dbraw/zinc/85/04/89/581850489.db2.gz VSPMRSOIQMFTFN-CYBMUJFWSA-N 1 2 292.383 0.493 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078904 581863996 /nfs/dbraw/zinc/86/39/96/581863996.db2.gz HZLADCRFGJJYGG-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078904 581863999 /nfs/dbraw/zinc/86/39/99/581863999.db2.gz HZLADCRFGJJYGG-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO CCCN(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000772622798 581881100 /nfs/dbraw/zinc/88/11/00/581881100.db2.gz IPCIYDVNUHZMTD-UHFFFAOYSA-N 1 2 282.388 0.996 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000761107845 581889112 /nfs/dbraw/zinc/88/91/12/581889112.db2.gz ITDKUDBCLOHOOY-SNVBAGLBSA-N 1 2 253.302 0.859 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000761107845 581889110 /nfs/dbraw/zinc/88/91/10/581889110.db2.gz ITDKUDBCLOHOOY-SNVBAGLBSA-N 1 2 253.302 0.859 20 30 CCEDLO C#C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCCO1 ZINC000772885876 581895847 /nfs/dbraw/zinc/89/58/47/581895847.db2.gz BQIJRVRVDQCMAT-UONOGXRCSA-N 1 2 292.379 0.538 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773238693 581917094 /nfs/dbraw/zinc/91/70/94/581917094.db2.gz WOHSINNKMUTSKD-AGIUHOORSA-N 1 2 276.340 0.752 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCOCC1 ZINC000747124446 581933016 /nfs/dbraw/zinc/93/30/16/581933016.db2.gz CGZGXTJVCLHEBM-ZDUSSCGKSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCOCC1 ZINC000747124446 581933018 /nfs/dbraw/zinc/93/30/18/581933018.db2.gz CGZGXTJVCLHEBM-ZDUSSCGKSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CCN1CC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762187564 581934625 /nfs/dbraw/zinc/93/46/25/581934625.db2.gz AUOXMBOYKODUHC-SNVBAGLBSA-N 1 2 260.297 0.648 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000747424776 581939976 /nfs/dbraw/zinc/93/99/76/581939976.db2.gz HIBIIBZELYYQHV-WCQYABFASA-N 1 2 268.382 0.068 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000747424776 581939977 /nfs/dbraw/zinc/93/99/77/581939977.db2.gz HIBIIBZELYYQHV-WCQYABFASA-N 1 2 268.382 0.068 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000748473920 581977271 /nfs/dbraw/zinc/97/72/71/581977271.db2.gz ZTBZDYCRAJPCHF-AWEZNQCLSA-N 1 2 298.383 0.625 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000775426794 582024073 /nfs/dbraw/zinc/02/40/73/582024073.db2.gz LNJRYLKZDOUGDW-STQMWFEESA-N 1 2 285.388 0.191 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000775426794 582024076 /nfs/dbraw/zinc/02/40/76/582024076.db2.gz LNJRYLKZDOUGDW-STQMWFEESA-N 1 2 285.388 0.191 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000764704907 582063222 /nfs/dbraw/zinc/06/32/22/582063222.db2.gz VXVLCVLGKVSUMU-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000764704907 582063226 /nfs/dbraw/zinc/06/32/26/582063226.db2.gz VXVLCVLGKVSUMU-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000776594804 582083497 /nfs/dbraw/zinc/08/34/97/582083497.db2.gz VKWFESAVYVEHRP-CYBMUJFWSA-N 1 2 272.414 0.308 20 30 CCEDLO C#CCCN1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000776594804 582083499 /nfs/dbraw/zinc/08/34/99/582083499.db2.gz VKWFESAVYVEHRP-CYBMUJFWSA-N 1 2 272.414 0.308 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830891049 613235582 /nfs/dbraw/zinc/23/55/82/613235582.db2.gz BJHNXUZMHMNZJT-BDAKNGLRSA-N 1 2 278.146 0.751 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830891049 613235585 /nfs/dbraw/zinc/23/55/85/613235585.db2.gz BJHNXUZMHMNZJT-BDAKNGLRSA-N 1 2 278.146 0.751 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000921413500 616432748 /nfs/dbraw/zinc/43/27/48/616432748.db2.gz NKRQBCBITJLYOK-QMMMGPOBSA-N 1 2 255.299 0.134 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000921413500 616432750 /nfs/dbraw/zinc/43/27/50/616432750.db2.gz NKRQBCBITJLYOK-QMMMGPOBSA-N 1 2 255.299 0.134 20 30 CCEDLO C#CCOCCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921931594 612987548 /nfs/dbraw/zinc/98/75/48/612987548.db2.gz GPJLIKFBMKKMHJ-UHFFFAOYSA-N 1 2 296.396 0.654 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502130 613002600 /nfs/dbraw/zinc/00/26/00/613002600.db2.gz AXWSOCIWTGXXCY-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502130 613002602 /nfs/dbraw/zinc/00/26/02/613002602.db2.gz AXWSOCIWTGXXCY-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852323701 612947916 /nfs/dbraw/zinc/94/79/16/612947916.db2.gz LALAUNMMPAEHRP-RISCZKNCSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852323701 612947917 /nfs/dbraw/zinc/94/79/17/612947917.db2.gz LALAUNMMPAEHRP-RISCZKNCSA-N 1 2 250.342 0.625 20 30 CCEDLO COc1cc(C=NN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1O ZINC000916248084 617179405 /nfs/dbraw/zinc/17/94/05/617179405.db2.gz KDJVRWWWVCKPCM-UHFFFAOYSA-N 1 2 294.311 0.890 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247673 617179506 /nfs/dbraw/zinc/17/95/06/617179506.db2.gz VOLRYDZOBPFSTM-BXUZGUMPSA-N 1 2 259.357 0.421 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000895247673 617179508 /nfs/dbraw/zinc/17/95/08/617179508.db2.gz VOLRYDZOBPFSTM-BXUZGUMPSA-N 1 2 259.357 0.421 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000888038199 613045604 /nfs/dbraw/zinc/04/56/04/613045604.db2.gz PKPWBSLOHLMTJD-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000888038199 613045606 /nfs/dbraw/zinc/04/56/06/613045606.db2.gz PKPWBSLOHLMTJD-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCOC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000859139446 613048266 /nfs/dbraw/zinc/04/82/66/613048266.db2.gz PMINKUZYAPFQQB-LBPRGKRZSA-N 1 2 254.330 0.799 20 30 CCEDLO C#CC[C@H](CO)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000895490140 613058825 /nfs/dbraw/zinc/05/88/25/613058825.db2.gz MWJSYXXQKSGPJF-MRVPVSSYSA-N 1 2 254.311 0.404 20 30 CCEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(C)C ZINC000868022050 613091075 /nfs/dbraw/zinc/09/10/75/613091075.db2.gz WBICLGWTZUUSLS-CFHLNLSMSA-N 1 2 250.342 0.649 20 30 CCEDLO C[C@@H](C#N)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886399133 617296773 /nfs/dbraw/zinc/29/67/73/617296773.db2.gz HJRCTGPQYMNFBJ-JTQLQIEISA-N 1 2 279.365 0.865 20 30 CCEDLO C[C@@H](C#N)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886399133 617296774 /nfs/dbraw/zinc/29/67/74/617296774.db2.gz HJRCTGPQYMNFBJ-JTQLQIEISA-N 1 2 279.365 0.865 20 30 CCEDLO C#CC1(O)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000912972059 612950859 /nfs/dbraw/zinc/95/08/59/612950859.db2.gz URRVKXOSOAZDPH-UHFFFAOYSA-N 1 2 287.363 0.749 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000892283267 612955770 /nfs/dbraw/zinc/95/57/70/612955770.db2.gz YNPBFBGKNHSNGZ-UHFFFAOYSA-N 1 2 296.330 0.762 20 30 CCEDLO C#CC1(O)C[NH+](C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC000934453646 612960819 /nfs/dbraw/zinc/96/08/19/612960819.db2.gz OEYFQEASMFNQOE-XJKSGUPXSA-N 1 2 295.379 0.541 20 30 CCEDLO C#CC1(O)C[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000934450966 612960862 /nfs/dbraw/zinc/96/08/62/612960862.db2.gz XCCZPDCBYAEWMA-ZDUSSCGKSA-N 1 2 278.396 0.951 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000880483708 612973979 /nfs/dbraw/zinc/97/39/79/612973979.db2.gz JOHGWSHKAPMLHM-UHFFFAOYSA-N 1 2 278.308 0.811 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000851727875 612983471 /nfs/dbraw/zinc/98/34/71/612983471.db2.gz ZYFMFKRLUBMKDI-UHFFFAOYSA-N 1 2 275.352 0.433 20 30 CCEDLO C#CCCN(CCOC)C(=O)CCc1c[nH+]cn1C ZINC000856390273 612986940 /nfs/dbraw/zinc/98/69/40/612986940.db2.gz PMTREZCXQPIPLP-UHFFFAOYSA-N 1 2 263.341 0.851 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc3ccnn32)C1 ZINC000950490364 612992459 /nfs/dbraw/zinc/99/24/59/612992459.db2.gz ZRHPDUAUKBGESX-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(COC)n2)C1 ZINC000957056502 612992846 /nfs/dbraw/zinc/99/28/46/612992846.db2.gz VBCYEWIQEAMNPT-UHFFFAOYSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000892871117 613010185 /nfs/dbraw/zinc/01/01/85/613010185.db2.gz PAZKCPOWGZALON-LBPRGKRZSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000858373578 613036478 /nfs/dbraw/zinc/03/64/78/613036478.db2.gz JVKNLAGRPJMTMY-RYUDHWBXSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000799080002 613058942 /nfs/dbraw/zinc/05/89/42/613058942.db2.gz DGAMLLLVMVWGGC-LLVKDONJSA-N 1 2 257.293 0.838 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897656439 613063473 /nfs/dbraw/zinc/06/34/73/613063473.db2.gz DKALCEJHCCWLOF-FZMZJTMJSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897656439 613063475 /nfs/dbraw/zinc/06/34/75/613063475.db2.gz DKALCEJHCCWLOF-FZMZJTMJSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCc1c[nH+]cn1C ZINC000858464549 613063890 /nfs/dbraw/zinc/06/38/90/613063890.db2.gz MBFDDDLWJLDLMK-SNVBAGLBSA-N 1 2 250.302 0.258 20 30 CCEDLO C#CCn1cc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cn1 ZINC000834603124 613076953 /nfs/dbraw/zinc/07/69/53/613076953.db2.gz KCPPAOITNOMUHB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852274577 613085295 /nfs/dbraw/zinc/08/52/95/613085295.db2.gz FAIMESXEUHNZDQ-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000848493682 613106061 /nfs/dbraw/zinc/10/60/61/613106061.db2.gz PHZJTBIBRDFCNR-RISCZKNCSA-N 1 2 279.340 0.246 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000848493682 613106064 /nfs/dbraw/zinc/10/60/64/613106064.db2.gz PHZJTBIBRDFCNR-RISCZKNCSA-N 1 2 279.340 0.246 20 30 CCEDLO C#CC[N@@H+](CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108865990 613107628 /nfs/dbraw/zinc/10/76/28/613107628.db2.gz DNTLYZSQELEZCR-CQSZACIVSA-N 1 2 295.408 0.475 20 30 CCEDLO C#CC[N@H+](CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108865990 613107630 /nfs/dbraw/zinc/10/76/30/613107630.db2.gz DNTLYZSQELEZCR-CQSZACIVSA-N 1 2 295.408 0.475 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC000941519843 613115028 /nfs/dbraw/zinc/11/50/28/613115028.db2.gz FUPKISNUFCFXHE-ZDUSSCGKSA-N 1 2 267.348 0.196 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)C(C)C)CC2)C1 ZINC000941548507 613115087 /nfs/dbraw/zinc/11/50/87/613115087.db2.gz ZZHYWCYRMYAHPR-HNNXBMFYSA-N 1 2 293.411 0.119 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)SC)CC2)C1 ZINC000941380986 613115655 /nfs/dbraw/zinc/11/56/55/613115655.db2.gz VISFNYXHSGBQGF-AWEZNQCLSA-N 1 2 295.452 0.590 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852277846 613120416 /nfs/dbraw/zinc/12/04/16/613120416.db2.gz QTPMOJMNQFOYOT-CHWSQXEVSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922524547 613121692 /nfs/dbraw/zinc/12/16/92/613121692.db2.gz FEVSXHNGDQSADF-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccnn2C)CC1 ZINC000848720204 613131927 /nfs/dbraw/zinc/13/19/27/613131927.db2.gz TWEFAQZVZYCAMN-UHFFFAOYSA-N 1 2 289.335 0.491 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccnc2F)CC1 ZINC000921437359 613138483 /nfs/dbraw/zinc/13/84/83/613138483.db2.gz VIZGQJOBUDQYTA-UHFFFAOYSA-N 1 2 297.355 0.597 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CCOCC1 ZINC000851990706 613142248 /nfs/dbraw/zinc/14/22/48/613142248.db2.gz ZPJKSKYUUPLCBB-JSGCOSHPSA-N 1 2 290.367 0.999 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000822074452 613146442 /nfs/dbraw/zinc/14/64/42/613146442.db2.gz XHPMCEMKOMKMQP-HNCHTBHHSA-N 1 2 259.309 0.810 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000822074452 613146443 /nfs/dbraw/zinc/14/64/43/613146443.db2.gz XHPMCEMKOMKMQP-HNCHTBHHSA-N 1 2 259.309 0.810 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(OCC)no2)CC1 ZINC000981629763 613157050 /nfs/dbraw/zinc/15/70/50/613157050.db2.gz NAKGOWBMFIUUJE-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(OCC)no2)CC1 ZINC000981629763 613157053 /nfs/dbraw/zinc/15/70/53/613157053.db2.gz NAKGOWBMFIUUJE-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC=C)C1 ZINC000885511922 613192735 /nfs/dbraw/zinc/19/27/35/613192735.db2.gz OWOOQIPKLHZYAW-LBPRGKRZSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC=C)C1 ZINC000885511922 613192736 /nfs/dbraw/zinc/19/27/36/613192736.db2.gz OWOOQIPKLHZYAW-LBPRGKRZSA-N 1 2 256.371 0.580 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cn1 ZINC000913447609 613170472 /nfs/dbraw/zinc/17/04/72/613170472.db2.gz MSXZUEUSASJAJL-CQSZACIVSA-N 1 2 281.319 0.573 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)nc1 ZINC000913469649 613170761 /nfs/dbraw/zinc/17/07/61/613170761.db2.gz QZBFLQNHKFPSBB-HNNXBMFYSA-N 1 2 295.346 0.583 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)co2)C1 ZINC000923566631 613173562 /nfs/dbraw/zinc/17/35/62/613173562.db2.gz RWZXUDFHUXMMQV-GFCCVEGCSA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)co2)C1 ZINC000923566631 613173564 /nfs/dbraw/zinc/17/35/64/613173564.db2.gz RWZXUDFHUXMMQV-GFCCVEGCSA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000923580903 613174020 /nfs/dbraw/zinc/17/40/20/613174020.db2.gz FCQDPJKDJJFQCF-LLVKDONJSA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000923580903 613174022 /nfs/dbraw/zinc/17/40/22/613174022.db2.gz FCQDPJKDJJFQCF-LLVKDONJSA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(C(=O)CC)CC2)C1 ZINC000923558131 613180854 /nfs/dbraw/zinc/18/08/54/613180854.db2.gz VXKQZVOTBGJWML-LBPRGKRZSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)CC)CC2)C1 ZINC000923558131 613180856 /nfs/dbraw/zinc/18/08/56/613180856.db2.gz VXKQZVOTBGJWML-LBPRGKRZSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)CC(C)C)C1 ZINC000885511544 613193389 /nfs/dbraw/zinc/19/33/89/613193389.db2.gz JBMFXVOEEMBURK-ZDUSSCGKSA-N 1 2 287.429 0.506 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)CC(C)C)C1 ZINC000885511544 613193392 /nfs/dbraw/zinc/19/33/92/613193392.db2.gz JBMFXVOEEMBURK-ZDUSSCGKSA-N 1 2 287.429 0.506 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC000811544420 613196207 /nfs/dbraw/zinc/19/62/07/613196207.db2.gz XYZBNMAPZSMIEI-NSHDSACASA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC000811544420 613196209 /nfs/dbraw/zinc/19/62/09/613196209.db2.gz XYZBNMAPZSMIEI-NSHDSACASA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(OC)OC ZINC000839736405 613201774 /nfs/dbraw/zinc/20/17/74/613201774.db2.gz AYOYYQBYGLWGFD-NEPJUHHUSA-N 1 2 268.357 0.598 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(OC)OC ZINC000839736405 613201777 /nfs/dbraw/zinc/20/17/77/613201777.db2.gz AYOYYQBYGLWGFD-NEPJUHHUSA-N 1 2 268.357 0.598 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC000949288932 613210562 /nfs/dbraw/zinc/21/05/62/613210562.db2.gz CLWYPCFPYAIDGC-KBPBESRZSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC000949288932 613210563 /nfs/dbraw/zinc/21/05/63/613210563.db2.gz CLWYPCFPYAIDGC-KBPBESRZSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CC3)C2)C1 ZINC000972380902 613211683 /nfs/dbraw/zinc/21/16/83/613211683.db2.gz LLDAMROSOUMCQD-CQSZACIVSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CC3)C2)C1 ZINC000972380902 613211684 /nfs/dbraw/zinc/21/16/84/613211684.db2.gz LLDAMROSOUMCQD-CQSZACIVSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972519666 613212886 /nfs/dbraw/zinc/21/28/86/613212886.db2.gz XLECUAAMIZYZAU-HUUCEWRRSA-N 1 2 296.342 0.052 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972519666 613212887 /nfs/dbraw/zinc/21/28/87/613212887.db2.gz XLECUAAMIZYZAU-HUUCEWRRSA-N 1 2 296.342 0.052 20 30 CCEDLO C/C(=C/C(=O)NC1(C#N)CCC1)C[NH+]1CCOCC1 ZINC000900397879 613235369 /nfs/dbraw/zinc/23/53/69/613235369.db2.gz QETZEKMETXBSJY-XFXZXTDPSA-N 1 2 263.341 0.827 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880050873 613330368 /nfs/dbraw/zinc/33/03/68/613330368.db2.gz GYNYBIFACLCCQA-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880050873 613330369 /nfs/dbraw/zinc/33/03/69/613330369.db2.gz GYNYBIFACLCCQA-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000845594008 613353323 /nfs/dbraw/zinc/35/33/23/613353323.db2.gz ACQCNCXKWNZODG-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000845594008 613353324 /nfs/dbraw/zinc/35/33/24/613353324.db2.gz ACQCNCXKWNZODG-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)CNC(=S)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000044158859 613346736 /nfs/dbraw/zinc/34/67/36/613346736.db2.gz OIKNOCOUKXLQOL-UHFFFAOYSA-N 1 2 284.429 0.191 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000952433312 613360531 /nfs/dbraw/zinc/36/05/31/613360531.db2.gz WNIJDRHIYKSZJI-GJZGRUSLSA-N 1 2 296.411 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981745179 613373776 /nfs/dbraw/zinc/37/37/76/613373776.db2.gz SIVGKVZJCBMPTN-NEPJUHHUSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000981745179 613373777 /nfs/dbraw/zinc/37/37/77/613373777.db2.gz SIVGKVZJCBMPTN-NEPJUHHUSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)C1 ZINC000981909299 613393275 /nfs/dbraw/zinc/39/32/75/613393275.db2.gz JVPNEYYGFZGICW-GFCCVEGCSA-N 1 2 279.384 0.751 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)C1 ZINC000981909299 613393276 /nfs/dbraw/zinc/39/32/76/613393276.db2.gz JVPNEYYGFZGICW-GFCCVEGCSA-N 1 2 279.384 0.751 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000878689359 613397385 /nfs/dbraw/zinc/39/73/85/613397385.db2.gz GZYMWBOREICREM-NEPJUHHUSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000878689359 613397387 /nfs/dbraw/zinc/39/73/87/613397387.db2.gz GZYMWBOREICREM-NEPJUHHUSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000878653598 613410932 /nfs/dbraw/zinc/41/09/32/613410932.db2.gz JAXLLDOIJFZMAJ-QWHCGFSZSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000878653598 613410935 /nfs/dbraw/zinc/41/09/35/613410935.db2.gz JAXLLDOIJFZMAJ-QWHCGFSZSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641379 613413119 /nfs/dbraw/zinc/41/31/19/613413119.db2.gz CNXXQLBBYUUWKX-YTWAJWBKSA-N 1 2 253.298 0.455 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641379 613413121 /nfs/dbraw/zinc/41/31/21/613413121.db2.gz CNXXQLBBYUUWKX-YTWAJWBKSA-N 1 2 253.298 0.455 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)OC ZINC000878423220 613419599 /nfs/dbraw/zinc/41/95/99/613419599.db2.gz PZIXOCYFPVNZOJ-AXFHLTTASA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)nn1 ZINC000857977724 613431040 /nfs/dbraw/zinc/43/10/40/613431040.db2.gz YNLLWPYSRKIIMM-VIFPVBQESA-N 1 2 258.285 0.535 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846512197 613453546 /nfs/dbraw/zinc/45/35/46/613453546.db2.gz YWZAVBHHUFIMNC-SNVBAGLBSA-N 1 2 260.284 0.475 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846512197 613453548 /nfs/dbraw/zinc/45/35/48/613453548.db2.gz YWZAVBHHUFIMNC-SNVBAGLBSA-N 1 2 260.284 0.475 20 30 CCEDLO C=CCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807280816 613465406 /nfs/dbraw/zinc/46/54/06/613465406.db2.gz LLPFWEZUNULCCB-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838002162 613467924 /nfs/dbraw/zinc/46/79/24/613467924.db2.gz SSWAXYOTDHRMTQ-XQQFMLRXSA-N 1 2 269.341 0.841 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000838002162 613467928 /nfs/dbraw/zinc/46/79/28/613467928.db2.gz SSWAXYOTDHRMTQ-XQQFMLRXSA-N 1 2 269.341 0.841 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868957976 613468294 /nfs/dbraw/zinc/46/82/94/613468294.db2.gz FRFTVAVTELOJHQ-NMEQGOOXSA-N 1 2 280.368 0.582 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878676351 613472082 /nfs/dbraw/zinc/47/20/82/613472082.db2.gz QIHGBQLZHYCIIB-AUSHCKSDSA-N 1 2 275.374 0.021 20 30 CCEDLO C=CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935574549 613476935 /nfs/dbraw/zinc/47/69/35/613476935.db2.gz VIBBZDZOJKFIGW-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454220 613479846 /nfs/dbraw/zinc/47/98/46/613479846.db2.gz ZNKUZVOVBPYTEO-DGCLKSJQSA-N 1 2 264.329 0.210 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898985757 613492506 /nfs/dbraw/zinc/49/25/06/613492506.db2.gz AWXWLQVKXXFOAQ-SKDRFNHKSA-N 1 2 264.329 0.453 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898985757 613492508 /nfs/dbraw/zinc/49/25/08/613492508.db2.gz AWXWLQVKXXFOAQ-SKDRFNHKSA-N 1 2 264.329 0.453 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928652416 613509854 /nfs/dbraw/zinc/50/98/54/613509854.db2.gz YWICFHRFJBYCET-OCCSQVGLSA-N 1 2 270.373 0.541 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000815283539 613524547 /nfs/dbraw/zinc/52/45/47/613524547.db2.gz YVTKNMSTNWAEGH-UHFFFAOYSA-N 1 2 280.368 0.743 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000815283539 613524549 /nfs/dbraw/zinc/52/45/49/613524549.db2.gz YVTKNMSTNWAEGH-UHFFFAOYSA-N 1 2 280.368 0.743 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC000941376213 613529264 /nfs/dbraw/zinc/52/92/64/613529264.db2.gz TWRNBBKYSVYMQA-UHFFFAOYSA-N 1 2 287.407 0.948 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC000948722848 613562400 /nfs/dbraw/zinc/56/24/00/613562400.db2.gz AXCPZCOXJNCGAO-ZDUSSCGKSA-N 1 2 277.368 0.070 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000957588640 613562484 /nfs/dbraw/zinc/56/24/84/613562484.db2.gz LFEQCWSWGXYQEC-UHFFFAOYSA-N 1 2 291.395 0.557 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972291006 613570715 /nfs/dbraw/zinc/57/07/15/613570715.db2.gz KXOSLSIINDAZRM-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC000972291006 613570717 /nfs/dbraw/zinc/57/07/17/613570717.db2.gz KXOSLSIINDAZRM-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992046 613586652 /nfs/dbraw/zinc/58/66/52/613586652.db2.gz ZWEKCDRTZXULJN-CQSZACIVSA-N 1 2 280.372 0.562 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2CN(C(=O)OC)C2)nn1 ZINC000850197499 613599048 /nfs/dbraw/zinc/59/90/48/613599048.db2.gz ALTWDINUAXGCCG-UHFFFAOYSA-N 1 2 265.317 0.394 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409692 613648201 /nfs/dbraw/zinc/64/82/01/613648201.db2.gz CTUVIIKSSNQYHT-ZIAGYGMSSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931409692 613648202 /nfs/dbraw/zinc/64/82/02/613648202.db2.gz CTUVIIKSSNQYHT-ZIAGYGMSSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925598319 613650023 /nfs/dbraw/zinc/65/00/23/613650023.db2.gz VMANFCOIFSABDF-AWEZNQCLSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2c(C)cc(C)nc2=O)CC1 ZINC000952435762 613709776 /nfs/dbraw/zinc/70/97/76/613709776.db2.gz XBRDZPOIRDRESR-UHFFFAOYSA-N 1 2 290.367 0.190 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccnc(OC)c2)CC1 ZINC000950513958 613709990 /nfs/dbraw/zinc/70/99/90/613709990.db2.gz PEPWWFFXKQPDLD-UHFFFAOYSA-N 1 2 275.352 0.963 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)CC1 ZINC000949568054 613715695 /nfs/dbraw/zinc/71/56/95/613715695.db2.gz RBEDJSYSVMVFKE-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(N(C)C)[nH+]cn2)C1=O ZINC000893667693 613777706 /nfs/dbraw/zinc/77/77/06/613777706.db2.gz CYKFMMCEZAOCLP-NSHDSACASA-N 1 2 275.356 0.766 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(N(C)C)nc[nH+]2)C1=O ZINC000893667693 613777707 /nfs/dbraw/zinc/77/77/07/613777707.db2.gz CYKFMMCEZAOCLP-NSHDSACASA-N 1 2 275.356 0.766 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481166 613855265 /nfs/dbraw/zinc/85/52/65/613855265.db2.gz VKAJDGGWUIECAD-IINYFYTJSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481166 613855266 /nfs/dbraw/zinc/85/52/66/613855266.db2.gz VKAJDGGWUIECAD-IINYFYTJSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845554866 613855487 /nfs/dbraw/zinc/85/54/87/613855487.db2.gz OSDQWPWXJZKCTF-NSHDSACASA-N 1 2 291.351 0.996 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875737322 613880137 /nfs/dbraw/zinc/88/01/37/613880137.db2.gz FSOAPXMSBMLYOX-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875737322 613880138 /nfs/dbraw/zinc/88/01/38/613880138.db2.gz FSOAPXMSBMLYOX-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854117572 613884015 /nfs/dbraw/zinc/88/40/15/613884015.db2.gz HHUOOQOIRIEWJA-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854117572 613884016 /nfs/dbraw/zinc/88/40/16/613884016.db2.gz HHUOOQOIRIEWJA-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCONC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000875651230 613884112 /nfs/dbraw/zinc/88/41/12/613884112.db2.gz QHWNNMSRZJLWSW-AWEZNQCLSA-N 1 2 299.371 0.019 20 30 CCEDLO C=CCONC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000875651230 613884113 /nfs/dbraw/zinc/88/41/13/613884113.db2.gz QHWNNMSRZJLWSW-AWEZNQCLSA-N 1 2 299.371 0.019 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000823931722 613885930 /nfs/dbraw/zinc/88/59/30/613885930.db2.gz DNUFDBKOABBVBT-UHFFFAOYSA-N 1 2 297.340 0.150 20 30 CCEDLO CC(C)OCCN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801924975 614014510 /nfs/dbraw/zinc/01/45/10/614014510.db2.gz DBVAVANPCBAXJR-AWEZNQCLSA-N 1 2 269.389 0.958 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865091100 614071864 /nfs/dbraw/zinc/07/18/64/614071864.db2.gz RRYPOWHXSPUAPR-OLZOCXBDSA-N 1 2 291.355 0.135 20 30 CCEDLO CC(C)[NH+]1CC(NC(=O)[C@@]2(C#N)CCCOC2)C1 ZINC000867524999 614317964 /nfs/dbraw/zinc/31/79/64/614317964.db2.gz SVNHMBJGFAQQEC-CYBMUJFWSA-N 1 2 251.330 0.516 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000826571579 614328325 /nfs/dbraw/zinc/32/83/25/614328325.db2.gz IIAHANIYUKDBTR-OLZOCXBDSA-N 1 2 252.358 0.871 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@@H]1[C@H]1CCCO1 ZINC000810028494 614611374 /nfs/dbraw/zinc/61/13/74/614611374.db2.gz KFIZWRYIRUEAJO-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@@H]1[C@H]1CCCO1 ZINC000810028494 614611378 /nfs/dbraw/zinc/61/13/78/614611378.db2.gz KFIZWRYIRUEAJO-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)CCO1 ZINC000865095529 614655389 /nfs/dbraw/zinc/65/53/89/614655389.db2.gz VWSCRXLCLKFYTH-OAHLLOKOSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)CCO1 ZINC000865095529 614655392 /nfs/dbraw/zinc/65/53/92/614655392.db2.gz VWSCRXLCLKFYTH-OAHLLOKOSA-N 1 2 295.383 0.534 20 30 CCEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000950658604 614683505 /nfs/dbraw/zinc/68/35/05/614683505.db2.gz ROEZGJGGLNHANR-LBPRGKRZSA-N 1 2 287.367 0.502 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931203641 615061425 /nfs/dbraw/zinc/06/14/25/615061425.db2.gz VXXHACIYDAYNKP-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931203641 615061427 /nfs/dbraw/zinc/06/14/27/615061427.db2.gz VXXHACIYDAYNKP-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCOC(=O)C(C)(C)ON=Cc1c[nH+]c(N)nc1N ZINC000842535992 615151012 /nfs/dbraw/zinc/15/10/12/615151012.db2.gz LCFWNXYMHGWESA-UHFFFAOYSA-N 1 2 267.289 0.333 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000907184162 615161495 /nfs/dbraw/zinc/16/14/95/615161495.db2.gz HTLONCTXTGSFRP-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000907184162 615161496 /nfs/dbraw/zinc/16/14/96/615161496.db2.gz HTLONCTXTGSFRP-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019445 615306137 /nfs/dbraw/zinc/30/61/37/615306137.db2.gz UQNXWYGQGMJDOV-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019445 615306139 /nfs/dbraw/zinc/30/61/39/615306139.db2.gz UQNXWYGQGMJDOV-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804087 615327404 /nfs/dbraw/zinc/32/74/04/615327404.db2.gz JFWGTMYAHYXZKI-KBPBESRZSA-N 1 2 272.352 0.768 20 30 CCEDLO CC[N@H+]1CC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804087 615327406 /nfs/dbraw/zinc/32/74/06/615327406.db2.gz JFWGTMYAHYXZKI-KBPBESRZSA-N 1 2 272.352 0.768 20 30 CCEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801909405 615459257 /nfs/dbraw/zinc/45/92/57/615459257.db2.gz DSVOLBHLPOREGF-KGLIPLIRSA-N 1 2 296.415 0.447 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C#N)CCCOC1 ZINC000928634354 615479358 /nfs/dbraw/zinc/47/93/58/615479358.db2.gz JGBDUOKZZIBMKL-ZFWWWQNUSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cn1 ZINC000928642109 615718673 /nfs/dbraw/zinc/71/86/73/615718673.db2.gz ZXSYNSOYBFIXTL-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971811716 616040544 /nfs/dbraw/zinc/04/05/44/616040544.db2.gz UEVPQZLSAHGTNV-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820096 616041509 /nfs/dbraw/zinc/04/15/09/616041509.db2.gz BITZYWOSXOAQOA-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712174 616068134 /nfs/dbraw/zinc/06/81/34/616068134.db2.gz VLMCINQIDBEHPD-NSHDSACASA-N 1 2 292.380 0.100 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712174 616068135 /nfs/dbraw/zinc/06/81/35/616068135.db2.gz VLMCINQIDBEHPD-NSHDSACASA-N 1 2 292.380 0.100 20 30 CCEDLO Cn1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1C=O ZINC000932177845 616166181 /nfs/dbraw/zinc/16/61/81/616166181.db2.gz DXDYVNXMFSBGBX-UHFFFAOYSA-N 1 2 274.324 0.555 20 30 CCEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213795 616170447 /nfs/dbraw/zinc/17/04/47/616170447.db2.gz UDZYCIJFBWNHND-ZDUSSCGKSA-N 1 2 286.335 0.076 20 30 CCEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213795 616170448 /nfs/dbraw/zinc/17/04/48/616170448.db2.gz UDZYCIJFBWNHND-ZDUSSCGKSA-N 1 2 286.335 0.076 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@H]1CO ZINC000913542390 616229465 /nfs/dbraw/zinc/22/94/65/616229465.db2.gz JGFKDVNHWSPAQV-NSHDSACASA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@H]1CO ZINC000913542390 616229466 /nfs/dbraw/zinc/22/94/66/616229466.db2.gz JGFKDVNHWSPAQV-NSHDSACASA-N 1 2 277.299 0.446 20 30 CCEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000852571713 616765809 /nfs/dbraw/zinc/76/58/09/616765809.db2.gz BUMQABOMPPXAMD-AWEZNQCLSA-N 1 2 296.371 0.425 20 30 CCEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000852571713 616765811 /nfs/dbraw/zinc/76/58/11/616765811.db2.gz BUMQABOMPPXAMD-AWEZNQCLSA-N 1 2 296.371 0.425 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000815137473 616777526 /nfs/dbraw/zinc/77/75/26/616777526.db2.gz VGNYEIUQJUQAIS-STQMWFEESA-N 1 2 277.324 0.024 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000815137473 616777531 /nfs/dbraw/zinc/77/75/31/616777531.db2.gz VGNYEIUQJUQAIS-STQMWFEESA-N 1 2 277.324 0.024 20 30 CCEDLO COCCC(COC)=NNCCCn1cc[nH+]c1 ZINC000848416904 616835084 /nfs/dbraw/zinc/83/50/84/616835084.db2.gz CHKFDLQUQMTYQD-UHFFFAOYSA-N 1 2 254.334 0.902 20 30 CCEDLO COC(=O)c1ccc2c(c1)OCC[N@@H+](C[C@H](O)CC#N)C2 ZINC000934428603 616923965 /nfs/dbraw/zinc/92/39/65/616923965.db2.gz YPLOJVYBHKJWMH-CYBMUJFWSA-N 1 2 290.319 0.942 20 30 CCEDLO COC(=O)c1ccc2c(c1)OCC[N@H+](C[C@H](O)CC#N)C2 ZINC000934428603 616923967 /nfs/dbraw/zinc/92/39/67/616923967.db2.gz YPLOJVYBHKJWMH-CYBMUJFWSA-N 1 2 290.319 0.942 20 30 CCEDLO COCCN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900559822 616992212 /nfs/dbraw/zinc/99/22/12/616992212.db2.gz FTTPSXJPFJHJAX-UHFFFAOYSA-N 1 2 262.313 0.882 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@@H]2C1 ZINC001026400564 625431007 /nfs/dbraw/zinc/43/10/07/625431007.db2.gz LPPABEFVOBYFSP-YUTCNCBUSA-N 1 2 287.367 0.313 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000934510794 622729035 /nfs/dbraw/zinc/72/90/35/622729035.db2.gz LDYDVNJBMKUKIL-QWHCGFSZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000934510794 622729042 /nfs/dbraw/zinc/72/90/42/622729042.db2.gz LDYDVNJBMKUKIL-QWHCGFSZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2csc(NC)n2)CC1 ZINC000161479039 622846456 /nfs/dbraw/zinc/84/64/56/622846456.db2.gz KASDIFASILHFIL-UHFFFAOYSA-N 1 2 278.381 0.966 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCC1CCC1 ZINC000092917306 625617914 /nfs/dbraw/zinc/61/79/14/625617914.db2.gz ZZTDYBHBYINYFU-UHFFFAOYSA-N 1 2 276.340 0.829 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](NCC#N)C1)C2 ZINC000969135943 624466876 /nfs/dbraw/zinc/46/68/76/624466876.db2.gz QDOPGXYTIUGRLS-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](NCC#N)C1)CC2 ZINC000969135943 624466883 /nfs/dbraw/zinc/46/68/83/624466883.db2.gz QDOPGXYTIUGRLS-NWDGAFQWSA-N 1 2 287.367 0.537 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305059157 624518439 /nfs/dbraw/zinc/51/84/39/624518439.db2.gz DVSKBPAXTYSQNJ-SMDDNHRTSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305059157 624518442 /nfs/dbraw/zinc/51/84/42/624518442.db2.gz DVSKBPAXTYSQNJ-SMDDNHRTSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000971212480 624828233 /nfs/dbraw/zinc/82/82/33/624828233.db2.gz ZMIHGRFFKPIUQF-CMPLNLGQSA-N 1 2 262.313 0.867 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000971212480 624828234 /nfs/dbraw/zinc/82/82/34/624828234.db2.gz ZMIHGRFFKPIUQF-CMPLNLGQSA-N 1 2 262.313 0.867 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@@H](NCC#N)C1)C2 ZINC001022323092 624924699 /nfs/dbraw/zinc/92/46/99/624924699.db2.gz WMFDEHJZUKYINS-SDDRHHMPSA-N 1 2 287.367 0.583 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@@H](NCC#N)C1)CC2 ZINC001022323092 624924700 /nfs/dbraw/zinc/92/47/00/624924700.db2.gz WMFDEHJZUKYINS-SDDRHHMPSA-N 1 2 287.367 0.583 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978407464 630807531 /nfs/dbraw/zinc/80/75/31/630807531.db2.gz KNHIGMSMOPGWJL-CYUUQNCZSA-N 1 2 299.378 0.263 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)CC#N)C1 ZINC001027663813 630840791 /nfs/dbraw/zinc/84/07/91/630840791.db2.gz KKFFSXGOVYHVET-LBPRGKRZSA-N 1 2 275.356 0.707 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007337080 650074235 /nfs/dbraw/zinc/07/42/35/650074235.db2.gz IFMMSFZNOAUIGF-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007337080 650074238 /nfs/dbraw/zinc/07/42/38/650074238.db2.gz IFMMSFZNOAUIGF-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022494 650099694 /nfs/dbraw/zinc/09/96/94/650099694.db2.gz DKQAJORELLUUCJ-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022494 650099697 /nfs/dbraw/zinc/09/96/97/650099697.db2.gz DKQAJORELLUUCJ-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000989436038 633227276 /nfs/dbraw/zinc/22/72/76/633227276.db2.gz KUHPFRNWRJXVSI-ZDUSSCGKSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000989436038 633227277 /nfs/dbraw/zinc/22/72/77/633227277.db2.gz KUHPFRNWRJXVSI-ZDUSSCGKSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000989436038 633227280 /nfs/dbraw/zinc/22/72/80/633227280.db2.gz KUHPFRNWRJXVSI-ZDUSSCGKSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000989436038 633227282 /nfs/dbraw/zinc/22/72/82/633227282.db2.gz KUHPFRNWRJXVSI-ZDUSSCGKSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nc3nccc(C)n3n2)CC1 ZINC000989604078 633334594 /nfs/dbraw/zinc/33/45/94/633334594.db2.gz QNXABFGJTHTHRZ-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc3nccc(C)n3n2)CC1 ZINC000989604078 633334596 /nfs/dbraw/zinc/33/45/96/633334596.db2.gz QNXABFGJTHTHRZ-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(C#N)cn1C ZINC000898886989 633683134 /nfs/dbraw/zinc/68/31/34/633683134.db2.gz IBQMZKCSIDAMKB-JTQLQIEISA-N 1 2 273.296 0.094 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008548624 650119208 /nfs/dbraw/zinc/11/92/08/650119208.db2.gz VMQOTEDHBAOEKZ-MXWKQRLJSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008548624 650119210 /nfs/dbraw/zinc/11/92/10/650119210.db2.gz VMQOTEDHBAOEKZ-MXWKQRLJSA-N 1 2 285.775 0.441 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1CC#N ZINC000947847743 634206200 /nfs/dbraw/zinc/20/62/00/634206200.db2.gz AILWZAJHRJSNBR-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908992198 635489243 /nfs/dbraw/zinc/48/92/43/635489243.db2.gz FJJXLFATFLLCDV-XQPOUDKPSA-N 1 2 280.368 0.725 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913459846 636813313 /nfs/dbraw/zinc/81/33/13/636813313.db2.gz JGILDTNYSDVREQ-AWEZNQCLSA-N 1 2 298.350 0.715 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446786 636815878 /nfs/dbraw/zinc/81/58/78/636815878.db2.gz IWIWZVDDZOTPFP-GFCCVEGCSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C3(C#N)CCC3)CC[NH2+]2)cn1 ZINC000913469685 636821147 /nfs/dbraw/zinc/82/11/47/636821147.db2.gz SQRJZLWJOKRPGE-LBPRGKRZSA-N 1 2 273.340 0.587 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547612 636837770 /nfs/dbraw/zinc/83/77/70/636837770.db2.gz SFGQMEJIALCHCQ-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547612 636837774 /nfs/dbraw/zinc/83/77/74/636837774.db2.gz SFGQMEJIALCHCQ-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015001362 637290376 /nfs/dbraw/zinc/29/03/76/637290376.db2.gz WDNPFPYBAHRJQJ-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@H]12 ZINC000992147940 637323134 /nfs/dbraw/zinc/32/31/34/637323134.db2.gz ALQRIEXQOJVKCS-SWLSCSKDSA-N 1 2 288.351 0.486 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@H]12 ZINC000992147940 637323142 /nfs/dbraw/zinc/32/31/42/637323142.db2.gz ALQRIEXQOJVKCS-SWLSCSKDSA-N 1 2 288.351 0.486 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992164669 637327089 /nfs/dbraw/zinc/32/70/89/637327089.db2.gz YJMZAYYQXKQZTI-CABZTGNLSA-N 1 2 271.748 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992164669 637327098 /nfs/dbraw/zinc/32/70/98/637327098.db2.gz YJMZAYYQXKQZTI-CABZTGNLSA-N 1 2 271.748 0.337 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1N(CC#N)CC2 ZINC000992449676 637418444 /nfs/dbraw/zinc/41/84/44/637418444.db2.gz SGLGIWLXILONLK-ZFWWWQNUSA-N 1 2 287.367 0.897 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829219 637616137 /nfs/dbraw/zinc/61/61/37/637616137.db2.gz DPRZYCVEZGXYMA-IACUBPJLSA-N 1 2 287.367 0.692 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939395630 638358422 /nfs/dbraw/zinc/35/84/22/638358422.db2.gz FGSCAJATDNNKNC-MNOVXSKESA-N 1 2 289.339 0.171 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000862469 639179150 /nfs/dbraw/zinc/17/91/50/639179150.db2.gz ONZYBHMWAQWDEF-AWEZNQCLSA-N 1 2 299.378 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014797909 650489825 /nfs/dbraw/zinc/48/98/25/650489825.db2.gz WMQFKCIGSDYAAE-SRVKXCTJSA-N 1 2 288.775 0.733 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014797909 650489830 /nfs/dbraw/zinc/48/98/30/650489830.db2.gz WMQFKCIGSDYAAE-SRVKXCTJSA-N 1 2 288.775 0.733 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001003183947 639514544 /nfs/dbraw/zinc/51/45/44/639514544.db2.gz CTRNWERGDQMJNW-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001003183946 639515200 /nfs/dbraw/zinc/51/52/00/639515200.db2.gz CTRNWERGDQMJNW-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001015060809 650521552 /nfs/dbraw/zinc/52/15/52/650521552.db2.gz LXJIIPNVWNKSOE-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001015060809 650521556 /nfs/dbraw/zinc/52/15/56/650521556.db2.gz LXJIIPNVWNKSOE-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)c1 ZINC001015060809 650521559 /nfs/dbraw/zinc/52/15/59/650521559.db2.gz LXJIIPNVWNKSOE-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)c1 ZINC001015060809 650521563 /nfs/dbraw/zinc/52/15/63/650521563.db2.gz LXJIIPNVWNKSOE-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO C[C@H](c1ccccc1)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121357360 640294238 /nfs/dbraw/zinc/29/42/38/640294238.db2.gz HIHJTNDZVMBTRP-LLVKDONJSA-N 1 2 279.340 0.877 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015526156 650577473 /nfs/dbraw/zinc/57/74/73/650577473.db2.gz YHHOBYCRMVWIDM-VIFPVBQESA-N 1 2 284.747 0.682 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015526156 650577474 /nfs/dbraw/zinc/57/74/74/650577474.db2.gz YHHOBYCRMVWIDM-VIFPVBQESA-N 1 2 284.747 0.682 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015551334 650580170 /nfs/dbraw/zinc/58/01/70/650580170.db2.gz UIHFLCANTIYTKH-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015551334 650580173 /nfs/dbraw/zinc/58/01/73/650580173.db2.gz UIHFLCANTIYTKH-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001015924559 650657541 /nfs/dbraw/zinc/65/75/41/650657541.db2.gz NHFHRAMLVMIGJX-JTQLQIEISA-N 1 2 284.747 0.864 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001015924559 650657543 /nfs/dbraw/zinc/65/75/43/650657543.db2.gz NHFHRAMLVMIGJX-JTQLQIEISA-N 1 2 284.747 0.864 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826702049 641952888 /nfs/dbraw/zinc/95/28/88/641952888.db2.gz BSUHDDTZLFKGNV-GFCCVEGCSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826702049 641952891 /nfs/dbraw/zinc/95/28/91/641952891.db2.gz BSUHDDTZLFKGNV-GFCCVEGCSA-N 1 2 289.335 0.315 20 30 CCEDLO C[C@H](NC(=O)C#CC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000837397840 642741522 /nfs/dbraw/zinc/74/15/22/642741522.db2.gz BUKDNRVTWZDBQL-RYUDHWBXSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841572747 642825245 /nfs/dbraw/zinc/82/52/45/642825245.db2.gz GRZASDWEDTVAFM-CHWSQXEVSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000841572747 642825248 /nfs/dbraw/zinc/82/52/48/642825248.db2.gz GRZASDWEDTVAFM-CHWSQXEVSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017452573 650803352 /nfs/dbraw/zinc/80/33/52/650803352.db2.gz XCVDYKZMNWLPDF-BETUJISGSA-N 1 2 268.320 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017452573 650803355 /nfs/dbraw/zinc/80/33/55/650803355.db2.gz XCVDYKZMNWLPDF-BETUJISGSA-N 1 2 268.320 0.808 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001017605391 650813529 /nfs/dbraw/zinc/81/35/29/650813529.db2.gz WIXWVFJNHAQXKS-BETUJISGSA-N 1 2 273.340 0.541 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001017605391 650813530 /nfs/dbraw/zinc/81/35/30/650813530.db2.gz WIXWVFJNHAQXKS-BETUJISGSA-N 1 2 273.340 0.541 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1C ZINC001017601311 650813549 /nfs/dbraw/zinc/81/35/49/650813549.db2.gz FTPTZVTUJWPBMN-GASCZTMLSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1C ZINC001017601311 650813551 /nfs/dbraw/zinc/81/35/51/650813551.db2.gz FTPTZVTUJWPBMN-GASCZTMLSA-N 1 2 286.379 0.579 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001017633732 650814805 /nfs/dbraw/zinc/81/48/05/650814805.db2.gz IXKWQBHVJJPDOT-YVECIDJPSA-N 1 2 285.351 0.712 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001017633732 650814806 /nfs/dbraw/zinc/81/48/06/650814806.db2.gz IXKWQBHVJJPDOT-YVECIDJPSA-N 1 2 285.351 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(CC)CCNC1=O ZINC001017634844 650814949 /nfs/dbraw/zinc/81/49/49/650814949.db2.gz VZXOYCDQFVRJGK-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(CC)CCNC1=O ZINC001017634844 650814951 /nfs/dbraw/zinc/81/49/51/650814951.db2.gz VZXOYCDQFVRJGK-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn(CC)nn1 ZINC001017758440 650820535 /nfs/dbraw/zinc/82/05/35/650820535.db2.gz WJNLXWSDYJENIC-OKILXGFUSA-N 1 2 287.367 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn(CC)nn1 ZINC001017758440 650820538 /nfs/dbraw/zinc/82/05/38/650820538.db2.gz WJNLXWSDYJENIC-OKILXGFUSA-N 1 2 287.367 0.149 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)C1=O ZINC001017829464 650825616 /nfs/dbraw/zinc/82/56/16/650825616.db2.gz ZVWYTLBARHTYDA-HZSPNIEDSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)C1=O ZINC001017829464 650825618 /nfs/dbraw/zinc/82/56/18/650825618.db2.gz ZVWYTLBARHTYDA-HZSPNIEDSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001017837293 650826312 /nfs/dbraw/zinc/82/63/12/650826312.db2.gz QHUVZNHDRZVINC-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001017837293 650826313 /nfs/dbraw/zinc/82/63/13/650826313.db2.gz QHUVZNHDRZVINC-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000848667064 643665474 /nfs/dbraw/zinc/66/54/74/643665474.db2.gz FXKVQUVIGLTSRK-HXUWFJFHSA-N 1 2 293.396 0.036 20 30 CCEDLO O=[S@@]1CCCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000853342607 644101081 /nfs/dbraw/zinc/10/10/81/644101081.db2.gz JOWYDXQJPQHSOH-LJQANCHMSA-N 1 2 287.429 0.587 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000854424065 644202180 /nfs/dbraw/zinc/20/21/80/644202180.db2.gz NQRZJJXSIOFULZ-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001019227512 650949146 /nfs/dbraw/zinc/94/91/46/650949146.db2.gz FGZRLYALEMKAEZ-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)co1 ZINC000866546866 645544628 /nfs/dbraw/zinc/54/46/28/645544628.db2.gz YPCFFMWHSCZSLZ-LBPRGKRZSA-N 1 2 275.308 0.698 20 30 CCEDLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C#N)CCCOC1 ZINC000869915858 645934605 /nfs/dbraw/zinc/93/46/05/645934605.db2.gz QENISJHBRKFYPX-CYBMUJFWSA-N 1 2 263.297 0.826 20 30 CCEDLO C#CC[N@@H+](C[C@@](C)(CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000876624840 646634144 /nfs/dbraw/zinc/63/41/44/646634144.db2.gz LZHKEEBYXNSFLK-CHWSQXEVSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@](C)(CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000876624840 646634148 /nfs/dbraw/zinc/63/41/48/646634148.db2.gz LZHKEEBYXNSFLK-CHWSQXEVSA-N 1 2 273.398 0.924 20 30 CCEDLO Cc1ccc(NC(=O)NCC#CCO)c(N(C)C)[nH+]1 ZINC000879001864 647011895 /nfs/dbraw/zinc/01/18/95/647011895.db2.gz KQLGVGZMCUZXLH-UHFFFAOYSA-N 1 2 262.313 0.573 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879127960 647027251 /nfs/dbraw/zinc/02/72/51/647027251.db2.gz CSBJZDOQUCNLAZ-ZIAGYGMSSA-N 1 2 289.335 0.140 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879127960 647027255 /nfs/dbraw/zinc/02/72/55/647027255.db2.gz CSBJZDOQUCNLAZ-ZIAGYGMSSA-N 1 2 289.335 0.140 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000879586665 647079097 /nfs/dbraw/zinc/07/90/97/647079097.db2.gz RDOORGFMVQVADD-CQSZACIVSA-N 1 2 298.346 0.485 20 30 CCEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000129233060 647338231 /nfs/dbraw/zinc/33/82/31/647338231.db2.gz QPNPLERLLJMZMT-DFBGVHRSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000129233060 647338239 /nfs/dbraw/zinc/33/82/39/647338239.db2.gz QPNPLERLLJMZMT-DFBGVHRSSA-N 1 2 276.336 0.673 20 30 CCEDLO Cc1nc(C#N)cc(N2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000882007973 647363659 /nfs/dbraw/zinc/36/36/59/647363659.db2.gz CRCITEWTOWWSPS-HXUWFJFHSA-N 1 2 293.396 0.157 20 30 CCEDLO NC(=[NH+]OCCN1CCOC1=O)c1ccc(F)cc1 ZINC000882948937 647467277 /nfs/dbraw/zinc/46/72/77/647467277.db2.gz SFKABXNWHIDKKE-UHFFFAOYSA-N 1 2 267.260 0.915 20 30 CCEDLO C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+]1CCSCC1 ZINC000887681311 648139597 /nfs/dbraw/zinc/13/95/97/648139597.db2.gz XZXFFKGZWIMLLC-DGCLKSJQSA-N 1 2 283.397 0.565 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000948102577 649363690 /nfs/dbraw/zinc/36/36/90/649363690.db2.gz PBYBJPONPYSHER-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO CS(=O)(=O)CCCO[NH+]=C(N)Cc1cccnc1 ZINC000092914956 649728741 /nfs/dbraw/zinc/72/87/41/649728741.db2.gz PEBSCZHGEUMNDY-UHFFFAOYSA-N 1 2 271.342 0.348 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)c1 ZINC000958499449 649808801 /nfs/dbraw/zinc/80/88/01/649808801.db2.gz DRCGELRYRVANEF-IMRBUKKESA-N 1 2 297.318 0.735 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)c1 ZINC000958499449 649808803 /nfs/dbraw/zinc/80/88/03/649808803.db2.gz DRCGELRYRVANEF-IMRBUKKESA-N 1 2 297.318 0.735 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1ncccn1 ZINC001266696544 791152427 /nfs/dbraw/zinc/15/24/27/791152427.db2.gz LUNHYJHBRXZASI-GFCCVEGCSA-N 1 2 276.340 0.063 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001266333271 790527275 /nfs/dbraw/zinc/52/72/75/790527275.db2.gz JYAZCOOTWXEBDV-ZJUUUORDSA-N 1 2 253.346 0.263 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266333271 790527280 /nfs/dbraw/zinc/52/72/80/790527280.db2.gz JYAZCOOTWXEBDV-ZJUUUORDSA-N 1 2 253.346 0.263 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001266345889 790554933 /nfs/dbraw/zinc/55/49/33/790554933.db2.gz ZRTCPJQFOMWOJH-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001266345889 790554945 /nfs/dbraw/zinc/55/49/45/790554945.db2.gz ZRTCPJQFOMWOJH-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266362142 790589154 /nfs/dbraw/zinc/58/91/54/790589154.db2.gz YLQOOCLSJRSTEY-OAHLLOKOSA-N 1 2 299.374 0.365 20 30 CCEDLO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266362142 790589166 /nfs/dbraw/zinc/58/91/66/790589166.db2.gz YLQOOCLSJRSTEY-OAHLLOKOSA-N 1 2 299.374 0.365 20 30 CCEDLO N#CCN1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001266373365 790609936 /nfs/dbraw/zinc/60/99/36/790609936.db2.gz BNHVRYFUQZGJKY-CYBMUJFWSA-N 1 2 287.367 0.767 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125370014 790802171 /nfs/dbraw/zinc/80/21/71/790802171.db2.gz GBKVOFDWTWLUBC-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125391070 790872854 /nfs/dbraw/zinc/87/28/54/790872854.db2.gz QFUSHCAMEYAFJX-UHFFFAOYSA-N 1 2 287.323 0.956 20 30 CCEDLO CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230855015 805677338 /nfs/dbraw/zinc/67/73/38/805677338.db2.gz GHWRHEUZCXCNMT-KBPBESRZSA-N 1 2 282.384 0.594 20 30 CCEDLO CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230855015 805677342 /nfs/dbraw/zinc/67/73/42/805677342.db2.gz GHWRHEUZCXCNMT-KBPBESRZSA-N 1 2 282.384 0.594 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC(C)C ZINC001231062856 805719937 /nfs/dbraw/zinc/71/99/37/805719937.db2.gz USOUKJDXSLIBTK-CQSZACIVSA-N 1 2 282.384 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)COC(C)C ZINC001231062856 805719942 /nfs/dbraw/zinc/71/99/42/805719942.db2.gz USOUKJDXSLIBTK-CQSZACIVSA-N 1 2 282.384 0.594 20 30 CCEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N)C1CCOCC1 ZINC001231330395 805776510 /nfs/dbraw/zinc/77/65/10/805776510.db2.gz CSRFGEJFLCCPDU-ZDUSSCGKSA-N 1 2 288.351 0.891 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2nccnc2N)C1 ZINC001277576552 805863269 /nfs/dbraw/zinc/86/32/69/805863269.db2.gz ZLSXVMPCJHKOPL-UHFFFAOYSA-N 1 2 291.355 0.018 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001277587295 805869103 /nfs/dbraw/zinc/86/91/03/805869103.db2.gz YZUAPFBTTNAUQU-UHFFFAOYSA-N 1 2 294.355 0.266 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](CCC)NC(N)=O)C1 ZINC001277686445 805961413 /nfs/dbraw/zinc/96/14/13/805961413.db2.gz KMXAAXAZXZWMDX-LLVKDONJSA-N 1 2 268.361 0.152 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001232674073 805967941 /nfs/dbraw/zinc/96/79/41/805967941.db2.gz RJADCJYXQKKYAH-OCCSQVGLSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001232674073 805967949 /nfs/dbraw/zinc/96/79/49/805967949.db2.gz RJADCJYXQKKYAH-OCCSQVGLSA-N 1 2 262.309 0.439 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(C#N)ccc1O ZINC001232681251 805969760 /nfs/dbraw/zinc/96/97/60/805969760.db2.gz OLLHYALNUWODLD-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(C#N)ccc1O ZINC001232681251 805969767 /nfs/dbraw/zinc/96/97/67/805969767.db2.gz OLLHYALNUWODLD-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@H]21 ZINC001232923226 805995554 /nfs/dbraw/zinc/99/55/54/805995554.db2.gz SIWPPUCPVPLLHF-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@H]21 ZINC001232923226 805995562 /nfs/dbraw/zinc/99/55/62/805995562.db2.gz SIWPPUCPVPLLHF-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(C#N)n3)C[C@H]21 ZINC001232923226 805995566 /nfs/dbraw/zinc/99/55/66/805995566.db2.gz SIWPPUCPVPLLHF-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(C#N)n3)C[C@H]21 ZINC001232923226 805995573 /nfs/dbraw/zinc/99/55/73/805995573.db2.gz SIWPPUCPVPLLHF-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266948769 791384329 /nfs/dbraw/zinc/38/43/29/791384329.db2.gz KZVYNIBRVIEUNH-MNOVXSKESA-N 1 2 261.329 0.063 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)nc1 ZINC001266986130 791422516 /nfs/dbraw/zinc/42/25/16/791422516.db2.gz UAUTWRWPJOASMP-SNVBAGLBSA-N 1 2 285.307 0.354 20 30 CCEDLO C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001267138106 791583039 /nfs/dbraw/zinc/58/30/39/791583039.db2.gz MIKROIUZRKTAIB-LLVKDONJSA-N 1 2 271.324 0.956 20 30 CCEDLO CCCCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267188064 791641371 /nfs/dbraw/zinc/64/13/71/791641371.db2.gz CXMFKQWBYFOFTL-LLVKDONJSA-N 1 2 268.361 0.110 20 30 CCEDLO CCCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267188064 791641375 /nfs/dbraw/zinc/64/13/75/791641375.db2.gz CXMFKQWBYFOFTL-LLVKDONJSA-N 1 2 268.361 0.110 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C1CC1 ZINC001267190480 791648320 /nfs/dbraw/zinc/64/83/20/791648320.db2.gz CURUCKRBSJMCJE-NSHDSACASA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C1CC1 ZINC001267190480 791648329 /nfs/dbraw/zinc/64/83/29/791648329.db2.gz CURUCKRBSJMCJE-NSHDSACASA-N 1 2 267.373 0.383 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1conc1C ZINC001267193071 791653551 /nfs/dbraw/zinc/65/35/51/791653551.db2.gz LUEMXSJBNKEKCG-CQSZACIVSA-N 1 2 281.356 0.858 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1conc1C ZINC001267193071 791653554 /nfs/dbraw/zinc/65/35/54/791653554.db2.gz LUEMXSJBNKEKCG-CQSZACIVSA-N 1 2 281.356 0.858 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001267213014 791682803 /nfs/dbraw/zinc/68/28/03/791682803.db2.gz XVNAORNFIGDEPA-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001267213014 791682806 /nfs/dbraw/zinc/68/28/06/791682806.db2.gz XVNAORNFIGDEPA-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001267218191 791690369 /nfs/dbraw/zinc/69/03/69/791690369.db2.gz ZIPHHSDJAQWAER-JTQLQIEISA-N 1 2 289.326 0.075 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001267218191 791690373 /nfs/dbraw/zinc/69/03/73/791690373.db2.gz ZIPHHSDJAQWAER-JTQLQIEISA-N 1 2 289.326 0.075 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233684247 806108153 /nfs/dbraw/zinc/10/81/53/806108153.db2.gz ZVDBTDGIWXQARB-AWEZNQCLSA-N 1 2 291.395 0.932 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233684247 806108156 /nfs/dbraw/zinc/10/81/56/806108156.db2.gz ZVDBTDGIWXQARB-AWEZNQCLSA-N 1 2 291.395 0.932 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001235436733 806421341 /nfs/dbraw/zinc/42/13/41/806421341.db2.gz RLBXUIPBXRKPCF-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001235436733 806421347 /nfs/dbraw/zinc/42/13/47/806421347.db2.gz RLBXUIPBXRKPCF-UHFFFAOYSA-N 1 2 265.361 0.719 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC001235451482 806425016 /nfs/dbraw/zinc/42/50/16/806425016.db2.gz KJPDWJZBVXKTOZ-LLVKDONJSA-N 1 2 280.376 0.675 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC001235451482 806425021 /nfs/dbraw/zinc/42/50/21/806425021.db2.gz KJPDWJZBVXKTOZ-LLVKDONJSA-N 1 2 280.376 0.675 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1CNCC#N ZINC001277989901 806599266 /nfs/dbraw/zinc/59/92/66/806599266.db2.gz HZONMRXFOULGHC-ZDUSSCGKSA-N 1 2 275.356 0.457 20 30 CCEDLO CC1(C)CN(Cc2ccnc(C#N)c2)CC[N@@H+]1CC(N)=O ZINC001237465734 806670619 /nfs/dbraw/zinc/67/06/19/806670619.db2.gz KMVIDMXXZWSSRW-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2ccnc(C#N)c2)CC[N@H+]1CC(N)=O ZINC001237465734 806670625 /nfs/dbraw/zinc/67/06/25/806670625.db2.gz KMVIDMXXZWSSRW-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237613420 806702435 /nfs/dbraw/zinc/70/24/35/806702435.db2.gz GSNYCCGVVWSLOV-UHFFFAOYSA-N 1 2 297.362 0.721 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237613420 806702441 /nfs/dbraw/zinc/70/24/41/806702441.db2.gz GSNYCCGVVWSLOV-UHFFFAOYSA-N 1 2 297.362 0.721 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CC)CC1 ZINC001121793726 799069612 /nfs/dbraw/zinc/06/96/12/799069612.db2.gz MGBPUDATWIBLLM-UHFFFAOYSA-N 1 2 269.299 0.991 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C=C)n2CC)CC1 ZINC001121795714 799070971 /nfs/dbraw/zinc/07/09/71/799070971.db2.gz VAWVZZWDVLNPTB-LBPRGKRZSA-N 1 2 275.356 0.273 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795999 799475950 /nfs/dbraw/zinc/47/59/50/799475950.db2.gz UNPKRYKZYUXNIN-ZFWWWQNUSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795999 799475954 /nfs/dbraw/zinc/47/59/54/799475954.db2.gz UNPKRYKZYUXNIN-ZFWWWQNUSA-N 1 2 292.427 0.676 20 30 CCEDLO C=CC(C)(C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001123887923 799495191 /nfs/dbraw/zinc/49/51/91/799495191.db2.gz YBHXVKBNBZVPCO-GFCCVEGCSA-N 1 2 268.405 0.886 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124902939 799645901 /nfs/dbraw/zinc/64/59/01/799645901.db2.gz NWFVLPRVXFMDFU-YUMQZZPRSA-N 1 2 251.290 0.305 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001125248400 799670032 /nfs/dbraw/zinc/67/00/32/799670032.db2.gz VLKAECJWPKSNAT-UHFFFAOYSA-N 1 2 284.385 0.727 20 30 CCEDLO C#CCCCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001137738687 799685665 /nfs/dbraw/zinc/68/56/65/799685665.db2.gz DMXVDWDTFVJNEJ-ZDUSSCGKSA-N 1 2 278.352 0.686 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(SC)nc2)CC1 ZINC001138710132 799749509 /nfs/dbraw/zinc/74/95/09/799749509.db2.gz WRSRAMCKKVNRJQ-UHFFFAOYSA-N 1 2 262.382 0.949 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012675 799888282 /nfs/dbraw/zinc/88/82/82/799888282.db2.gz GAVHJOLYLXGLRV-CHWSQXEVSA-N 1 2 287.367 0.883 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012675 799888288 /nfs/dbraw/zinc/88/82/88/799888288.db2.gz GAVHJOLYLXGLRV-CHWSQXEVSA-N 1 2 287.367 0.883 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)N(C)C)CC1 ZINC001143048505 800189577 /nfs/dbraw/zinc/18/95/77/800189577.db2.gz RJQAGEBEGUHSLT-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001153097985 800596234 /nfs/dbraw/zinc/59/62/34/800596234.db2.gz YGRJLCZAWHMAGR-JTQLQIEISA-N 1 2 294.355 0.744 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001153148828 800601956 /nfs/dbraw/zinc/60/19/56/800601956.db2.gz MSDGYARLZFHKPM-NXEZZACHSA-N 1 2 284.385 0.896 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNC(=O)Nc1ccc(C#N)cc1 ZINC001239244423 806871926 /nfs/dbraw/zinc/87/19/26/806871926.db2.gz XMQVXZZTFHTHKA-LLVKDONJSA-N 1 2 276.296 0.570 20 30 CCEDLO CCCc1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155827722 801060224 /nfs/dbraw/zinc/06/02/24/801060224.db2.gz FTMAYBXLHOIFQE-SNVBAGLBSA-N 1 2 279.344 0.778 20 30 CCEDLO N#Cc1cc2nc(N3CC[NH2+]C[C@@H]3C#N)ccc2[nH]1 ZINC001156327750 801150771 /nfs/dbraw/zinc/15/07/71/801150771.db2.gz KIWYZICGFOBXIP-JTQLQIEISA-N 1 2 252.281 0.736 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1cc(Cl)ncc1C#N ZINC001157770394 801477407 /nfs/dbraw/zinc/47/74/07/801477407.db2.gz IZGODHDWYWSSJF-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1cc(Cl)ncc1C#N ZINC001157770394 801477409 /nfs/dbraw/zinc/47/74/09/801477409.db2.gz IZGODHDWYWSSJF-LLVKDONJSA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(F)c1C#N ZINC001157774051 801480224 /nfs/dbraw/zinc/48/02/24/801480224.db2.gz VHOPAQUMLZFKKH-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(F)c1C#N ZINC001157774051 801480227 /nfs/dbraw/zinc/48/02/27/801480227.db2.gz VHOPAQUMLZFKKH-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2[nH]cc(C#N)c21 ZINC001158700659 801685751 /nfs/dbraw/zinc/68/57/51/801685751.db2.gz QAKMRLNPMRVUSC-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ncnc2[nH]cc(C#N)c21 ZINC001158700659 801685754 /nfs/dbraw/zinc/68/57/54/801685754.db2.gz QAKMRLNPMRVUSC-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001160147446 801912090 /nfs/dbraw/zinc/91/20/90/801912090.db2.gz VWTICVFFLBRHIY-LLVKDONJSA-N 1 2 285.303 0.692 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N)cc(Cl)[nH+]1 ZINC001160175020 801915205 /nfs/dbraw/zinc/91/52/05/801915205.db2.gz USCPXPAVMGSWMA-CDUCUWFYSA-N 1 2 256.693 0.965 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cnc(C#N)c(C#N)n1 ZINC001162856088 802430549 /nfs/dbraw/zinc/43/05/49/802430549.db2.gz WJOVUQBSAGCMKR-QMMMGPOBSA-N 1 2 288.311 0.301 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cncc(CC#N)n1 ZINC001162854278 802430582 /nfs/dbraw/zinc/43/05/82/802430582.db2.gz LHPOCLSLUNFKEW-JTQLQIEISA-N 1 2 277.328 0.624 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC#N)cn2)C[NH2+]1 ZINC001164300141 802712380 /nfs/dbraw/zinc/71/23/80/802712380.db2.gz ILDJICJTIQWUTR-QWRGUYRKSA-N 1 2 260.297 0.463 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nnc(C)c(C)c2C#N)C[NH2+]1 ZINC001164302545 802714605 /nfs/dbraw/zinc/71/46/05/802714605.db2.gz XJZIHGSQWDKGNE-ONGXEEELSA-N 1 2 275.312 0.281 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001267805200 811801154 /nfs/dbraw/zinc/80/11/54/811801154.db2.gz NPGFHQMLCVIZQY-ZYHUDNBSSA-N 1 2 294.355 0.401 20 30 CCEDLO C=C(C)CCC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100370784 812437022 /nfs/dbraw/zinc/43/70/22/812437022.db2.gz AAGKORJPUQWPKS-UHFFFAOYSA-N 1 2 292.387 0.551 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)cc1 ZINC001203904956 803051353 /nfs/dbraw/zinc/05/13/53/803051353.db2.gz LOJZNGKNJHNRBY-AWEZNQCLSA-N 1 2 271.320 0.601 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)cc1 ZINC001203904956 803051359 /nfs/dbraw/zinc/05/13/59/803051359.db2.gz LOJZNGKNJHNRBY-AWEZNQCLSA-N 1 2 271.320 0.601 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC1(C)COC1 ZINC001207791271 803450960 /nfs/dbraw/zinc/45/09/60/803450960.db2.gz LYMNFBOVIMKQJL-CYBMUJFWSA-N 1 2 292.383 0.953 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC1(C)COC1 ZINC001207791271 803450962 /nfs/dbraw/zinc/45/09/62/803450962.db2.gz LYMNFBOVIMKQJL-CYBMUJFWSA-N 1 2 292.383 0.953 20 30 CCEDLO C=CCN(CC[N@@H+]1CCO[C@H](COC)C1)C(=O)OCC ZINC001209020354 803564962 /nfs/dbraw/zinc/56/49/62/803564962.db2.gz HOEUVBDOMNZKKB-ZDUSSCGKSA-N 1 2 286.372 0.978 20 30 CCEDLO C=CCN(CC[N@H+]1CCO[C@H](COC)C1)C(=O)OCC ZINC001209020354 803564963 /nfs/dbraw/zinc/56/49/63/803564963.db2.gz HOEUVBDOMNZKKB-ZDUSSCGKSA-N 1 2 286.372 0.978 20 30 CCEDLO C=C[C@@H]1O[C@H](OCC[NH+]2CCOCC2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001210224724 803642502 /nfs/dbraw/zinc/64/25/02/803642502.db2.gz FOYLUOWOZMUDBI-XUXIUFHCSA-N 1 2 299.367 0.766 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001211378728 803679760 /nfs/dbraw/zinc/67/97/60/803679760.db2.gz HDWUSVKMBWDAHN-IJLUTSLNSA-N 1 2 288.413 0.290 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001211378728 803679763 /nfs/dbraw/zinc/67/97/63/803679763.db2.gz HDWUSVKMBWDAHN-IJLUTSLNSA-N 1 2 288.413 0.290 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)C)[C@H]2C1 ZINC001217290216 803882459 /nfs/dbraw/zinc/88/24/59/803882459.db2.gz AWHGDLDIYBAWRB-UONOGXRCSA-N 1 2 280.368 0.204 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)C)[C@H]2C1 ZINC001217290216 803882466 /nfs/dbraw/zinc/88/24/66/803882466.db2.gz AWHGDLDIYBAWRB-UONOGXRCSA-N 1 2 280.368 0.204 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)/C(C)=C\CC)[C@H]2C1 ZINC001217434831 803890256 /nfs/dbraw/zinc/89/02/56/803890256.db2.gz GVXTVQGNMTVOGP-PJWHXWNJSA-N 1 2 262.353 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)/C(C)=C\CC)[C@H]2C1 ZINC001217434831 803890263 /nfs/dbraw/zinc/89/02/63/803890263.db2.gz GVXTVQGNMTVOGP-PJWHXWNJSA-N 1 2 262.353 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCCOC)[C@H]2C1 ZINC001217481553 803893269 /nfs/dbraw/zinc/89/32/69/803893269.db2.gz PDNCGMIUWJXBTH-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCCOC)[C@H]2C1 ZINC001217481553 803893283 /nfs/dbraw/zinc/89/32/83/803893283.db2.gz PDNCGMIUWJXBTH-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218346443 803949382 /nfs/dbraw/zinc/94/93/82/803949382.db2.gz DODYGYUHWZPQQQ-QWHCGFSZSA-N 1 2 280.343 0.671 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218346443 803949394 /nfs/dbraw/zinc/94/93/94/803949394.db2.gz DODYGYUHWZPQQQ-QWHCGFSZSA-N 1 2 280.343 0.671 20 30 CCEDLO COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218604986 804032194 /nfs/dbraw/zinc/03/21/94/804032194.db2.gz KERJAOBEIDLDIR-QMMMGPOBSA-N 1 2 295.320 0.333 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)COC1CCCC1 ZINC001276793738 804116581 /nfs/dbraw/zinc/11/65/81/804116581.db2.gz VOEKQUQLXJPYMG-AWEZNQCLSA-N 1 2 294.395 0.786 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)COC1CCCC1 ZINC001276793738 804116587 /nfs/dbraw/zinc/11/65/87/804116587.db2.gz VOEKQUQLXJPYMG-AWEZNQCLSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCOC)[C@H]2C1 ZINC001219042644 804183709 /nfs/dbraw/zinc/18/37/09/804183709.db2.gz JORHKECOEJHFQL-MELADBBJSA-N 1 2 280.368 0.204 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCOC)[C@H]2C1 ZINC001219042644 804183704 /nfs/dbraw/zinc/18/37/04/804183704.db2.gz JORHKECOEJHFQL-MELADBBJSA-N 1 2 280.368 0.204 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@@H](O)C1 ZINC001219290682 804258742 /nfs/dbraw/zinc/25/87/42/804258742.db2.gz BQRUAVHPRHEFSH-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@@H](O)C1 ZINC001219290682 804258750 /nfs/dbraw/zinc/25/87/50/804258750.db2.gz BQRUAVHPRHEFSH-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220895998 804694679 /nfs/dbraw/zinc/69/46/79/804694679.db2.gz WSKPKBVGRMNOJQ-CABCVRRESA-N 1 2 296.411 0.768 20 30 CCEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220895998 804694682 /nfs/dbraw/zinc/69/46/82/804694682.db2.gz WSKPKBVGRMNOJQ-CABCVRRESA-N 1 2 296.411 0.768 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001221145974 804735391 /nfs/dbraw/zinc/73/53/91/804735391.db2.gz RGGDNQCAUNJJLG-LNDCSFGSSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001221145974 804735396 /nfs/dbraw/zinc/73/53/96/804735396.db2.gz RGGDNQCAUNJJLG-LNDCSFGSSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221837732 804849831 /nfs/dbraw/zinc/84/98/31/804849831.db2.gz BJZTYHUMNMBSOR-YNEHKIRRSA-N 1 2 293.411 0.995 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221837732 804849837 /nfs/dbraw/zinc/84/98/37/804849837.db2.gz BJZTYHUMNMBSOR-YNEHKIRRSA-N 1 2 293.411 0.995 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001276836327 804932411 /nfs/dbraw/zinc/93/24/11/804932411.db2.gz VPHXMAWVKOGZQD-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001276836327 804932416 /nfs/dbraw/zinc/93/24/16/804932416.db2.gz VPHXMAWVKOGZQD-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001276862795 804953962 /nfs/dbraw/zinc/95/39/62/804953962.db2.gz XTXVSUNRGSLCMM-VXGBXAGGSA-N 1 2 267.373 0.668 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001276862795 804953966 /nfs/dbraw/zinc/95/39/66/804953966.db2.gz XTXVSUNRGSLCMM-VXGBXAGGSA-N 1 2 267.373 0.668 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001276941006 805004782 /nfs/dbraw/zinc/00/47/82/805004782.db2.gz NNFFXBULYAQSIW-GXFFZTMASA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001276941006 805004791 /nfs/dbraw/zinc/00/47/91/805004791.db2.gz NNFFXBULYAQSIW-GXFFZTMASA-N 1 2 274.368 0.954 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001225132441 805108707 /nfs/dbraw/zinc/10/87/07/805108707.db2.gz RGIHFRZIXQZLQD-UHFFFAOYSA-N 1 2 297.790 0.928 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1CC#N ZINC001088674351 815054446 /nfs/dbraw/zinc/05/44/46/815054446.db2.gz GVGJFQGYWPFGLQ-BZPMIXESSA-N 1 2 287.367 0.548 20 30 CCEDLO N#CCN1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227705526 805381076 /nfs/dbraw/zinc/38/10/76/805381076.db2.gz KPEUMVNIGZEOBA-UHFFFAOYSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227705526 805381084 /nfs/dbraw/zinc/38/10/84/805381084.db2.gz KPEUMVNIGZEOBA-UHFFFAOYSA-N 1 2 261.329 0.446 20 30 CCEDLO COc1nc(C)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001229826537 805559878 /nfs/dbraw/zinc/55/98/78/805559878.db2.gz VKVVTQOSRSXVPC-NJFCNUMCSA-N 1 2 277.324 0.785 20 30 CCEDLO COc1nc(C)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001229826537 805559884 /nfs/dbraw/zinc/55/98/84/805559884.db2.gz VKVVTQOSRSXVPC-NJFCNUMCSA-N 1 2 277.324 0.785 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc4ccnn4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229904913 805566069 /nfs/dbraw/zinc/56/60/69/805566069.db2.gz XXPVARZXPMTZCH-LSVRBPJHSA-N 1 2 272.308 0.721 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc4ccnn4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229904913 805566073 /nfs/dbraw/zinc/56/60/73/805566073.db2.gz XXPVARZXPMTZCH-LSVRBPJHSA-N 1 2 272.308 0.721 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH+]cn1C ZINC000989735417 815092064 /nfs/dbraw/zinc/09/20/64/815092064.db2.gz AFNQXYPVVRARJN-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075960788 815128006 /nfs/dbraw/zinc/12/80/06/815128006.db2.gz CRJHGZSYFMVWPN-KCQAQPDRSA-N 1 2 299.378 0.502 20 30 CCEDLO CCCCN(CC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC001251021458 807643825 /nfs/dbraw/zinc/64/38/25/807643825.db2.gz MFFAJQRDOPMVKP-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO N#Cc1c(F)cc(NC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC001251034556 807649760 /nfs/dbraw/zinc/64/97/60/807649760.db2.gz ROYJJGOLWRBZJD-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO C=C1CN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001251640188 807692095 /nfs/dbraw/zinc/69/20/95/807692095.db2.gz NEOLOVXDPXUNSY-VXGBXAGGSA-N 1 2 252.362 0.202 20 30 CCEDLO C=C1CN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001251640188 807692097 /nfs/dbraw/zinc/69/20/97/807692097.db2.gz NEOLOVXDPXUNSY-VXGBXAGGSA-N 1 2 252.362 0.202 20 30 CCEDLO C#CCOC[C@@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001251832718 807713836 /nfs/dbraw/zinc/71/38/36/807713836.db2.gz PXXDUYQIHYLEPL-ZDUSSCGKSA-N 1 2 263.341 0.960 20 30 CCEDLO C#CCOC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001251832555 807714274 /nfs/dbraw/zinc/71/42/74/807714274.db2.gz MOIZPYKMMBWYMF-CMPLNLGQSA-N 1 2 250.298 0.558 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001251885391 807734934 /nfs/dbraw/zinc/73/49/34/807734934.db2.gz UQJWOKDUOPBHQR-RYUDHWBXSA-N 1 2 257.330 0.174 20 30 CCEDLO C=CCOC[C@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252453421 807869932 /nfs/dbraw/zinc/86/99/32/807869932.db2.gz FJGOTYSZMCSDKN-CYBMUJFWSA-N 1 2 293.367 0.894 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001253582061 808087621 /nfs/dbraw/zinc/08/76/21/808087621.db2.gz MAMXOLDRNGHVMA-LLVKDONJSA-N 1 2 251.330 0.782 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001253582061 808087628 /nfs/dbraw/zinc/08/76/28/808087628.db2.gz MAMXOLDRNGHVMA-LLVKDONJSA-N 1 2 251.330 0.782 20 30 CCEDLO C=C[C@H](O)C[N@@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253580061 808088121 /nfs/dbraw/zinc/08/81/21/808088121.db2.gz VXTYWOSHDSIUOK-NSHDSACASA-N 1 2 273.329 0.352 20 30 CCEDLO C=C[C@H](O)C[N@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253580061 808088126 /nfs/dbraw/zinc/08/81/26/808088126.db2.gz VXTYWOSHDSIUOK-NSHDSACASA-N 1 2 273.329 0.352 20 30 CCEDLO C=C[C@@H](O)CN1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001253583283 808091087 /nfs/dbraw/zinc/09/10/87/808091087.db2.gz ZXXKYGKSWGZBLY-CYBMUJFWSA-N 1 2 293.415 0.871 20 30 CCEDLO C=C[C@@H](O)CN1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001253583283 808091094 /nfs/dbraw/zinc/09/10/94/808091094.db2.gz ZXXKYGKSWGZBLY-CYBMUJFWSA-N 1 2 293.415 0.871 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001278857913 808345154 /nfs/dbraw/zinc/34/51/54/808345154.db2.gz UYWYVFUNZQBXDL-UWVGGRQHSA-N 1 2 274.311 0.627 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001038120771 815205539 /nfs/dbraw/zinc/20/55/39/815205539.db2.gz SPPZMWDNYVTKOK-ZDUSSCGKSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001038120771 815205542 /nfs/dbraw/zinc/20/55/42/815205542.db2.gz SPPZMWDNYVTKOK-ZDUSSCGKSA-N 1 2 260.341 0.730 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C#CC(C)(C)C ZINC001278904558 808450052 /nfs/dbraw/zinc/45/00/52/808450052.db2.gz OEVDOQWNUXVHEX-UHFFFAOYSA-N 1 2 281.400 0.690 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C#CC(C)(C)C ZINC001278904558 808450055 /nfs/dbraw/zinc/45/00/55/808450055.db2.gz OEVDOQWNUXVHEX-UHFFFAOYSA-N 1 2 281.400 0.690 20 30 CCEDLO C#CCNC(=O)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001256696762 808552964 /nfs/dbraw/zinc/55/29/64/808552964.db2.gz IWYGJXACUZCEBL-UHFFFAOYSA-N 1 2 288.351 0.261 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001076007416 815216660 /nfs/dbraw/zinc/21/66/60/815216660.db2.gz YDIGBTIMBUZNIS-CMPLNLGQSA-N 1 2 290.392 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001076007416 815216665 /nfs/dbraw/zinc/21/66/65/815216665.db2.gz YDIGBTIMBUZNIS-CMPLNLGQSA-N 1 2 290.392 0.880 20 30 CCEDLO CCOC(=O)CCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258119438 808657030 /nfs/dbraw/zinc/65/70/30/808657030.db2.gz HJMGJLHMJHXGMS-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001076261698 815269164 /nfs/dbraw/zinc/26/91/64/815269164.db2.gz VZMMXNQLKWSWRP-GXTWGEPZSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001076261698 815269168 /nfs/dbraw/zinc/26/91/68/815269168.db2.gz VZMMXNQLKWSWRP-GXTWGEPZSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076303593 815272727 /nfs/dbraw/zinc/27/27/27/815272727.db2.gz APGZCWCYCQIOHA-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](O)C1 ZINC001263747764 809561563 /nfs/dbraw/zinc/56/15/63/809561563.db2.gz PODMAXBXFPPLSA-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)[C@@H](O)C1 ZINC001263747764 809561565 /nfs/dbraw/zinc/56/15/65/809561565.db2.gz PODMAXBXFPPLSA-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001264127501 809632245 /nfs/dbraw/zinc/63/22/45/809632245.db2.gz GWKBHBPHQDZZKN-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@H+]1CC(=O)NCC#N ZINC001264127501 809632248 /nfs/dbraw/zinc/63/22/48/809632248.db2.gz GWKBHBPHQDZZKN-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265223088 809727699 /nfs/dbraw/zinc/72/76/99/809727699.db2.gz QCAKEENSAJXGFA-VXGBXAGGSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265223088 809727702 /nfs/dbraw/zinc/72/77/02/809727702.db2.gz QCAKEENSAJXGFA-VXGBXAGGSA-N 1 2 267.373 0.655 20 30 CCEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266154506 809949746 /nfs/dbraw/zinc/94/97/46/809949746.db2.gz BDGGFUUZGJQFDO-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001266210037 809963178 /nfs/dbraw/zinc/96/31/78/809963178.db2.gz USISDFHLSOQYPD-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001266210037 809963182 /nfs/dbraw/zinc/96/31/82/809963182.db2.gz USISDFHLSOQYPD-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)c[nH]1 ZINC001076905963 815410069 /nfs/dbraw/zinc/41/00/69/815410069.db2.gz HWNJTBOMPFCCOX-NUYITTKVSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)c[nH]1 ZINC001076905963 815410072 /nfs/dbraw/zinc/41/00/72/815410072.db2.gz HWNJTBOMPFCCOX-NUYITTKVSA-N 1 2 294.742 0.414 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267318125 811147748 /nfs/dbraw/zinc/14/77/48/811147748.db2.gz GIDFFIMOEILNHF-LBPRGKRZSA-N 1 2 277.372 0.940 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267318125 811147749 /nfs/dbraw/zinc/14/77/49/811147749.db2.gz GIDFFIMOEILNHF-LBPRGKRZSA-N 1 2 277.372 0.940 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001076989118 815428373 /nfs/dbraw/zinc/42/83/73/815428373.db2.gz ULYKCPJPVPGOEU-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001076989118 815428376 /nfs/dbraw/zinc/42/83/76/815428376.db2.gz ULYKCPJPVPGOEU-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038292561 811246418 /nfs/dbraw/zinc/24/64/18/811246418.db2.gz IJDAILJYVSHNLZ-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038292561 811246422 /nfs/dbraw/zinc/24/64/22/811246422.db2.gz IJDAILJYVSHNLZ-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125818819 811452714 /nfs/dbraw/zinc/45/27/14/811452714.db2.gz MUKFLXDUSGQCNC-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO CN(CC#N)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267584223 811483376 /nfs/dbraw/zinc/48/33/76/811483376.db2.gz CKKVXPUYFBLCNN-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@@H](O)C1 ZINC001083567562 815461336 /nfs/dbraw/zinc/46/13/36/815461336.db2.gz DVZCKEFAOZMYBQ-DGAVXFQQSA-N 1 2 290.388 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@@H](O)C1 ZINC001083567562 815461342 /nfs/dbraw/zinc/46/13/42/815461342.db2.gz DVZCKEFAOZMYBQ-DGAVXFQQSA-N 1 2 290.388 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001077230502 815463596 /nfs/dbraw/zinc/46/35/96/815463596.db2.gz OVAJILINXOGUOK-GVDBMIGSSA-N 1 2 298.386 0.901 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001077230502 815463601 /nfs/dbraw/zinc/46/36/01/815463601.db2.gz OVAJILINXOGUOK-GVDBMIGSSA-N 1 2 298.386 0.901 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001267687521 811653109 /nfs/dbraw/zinc/65/31/09/811653109.db2.gz GWNRLBAUHHPKBW-UHFFFAOYSA-N 1 2 267.373 0.383 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001077235883 815466433 /nfs/dbraw/zinc/46/64/33/815466433.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001077235883 815466436 /nfs/dbraw/zinc/46/64/36/815466436.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077235883 815466441 /nfs/dbraw/zinc/46/64/41/815466441.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077235883 815466445 /nfs/dbraw/zinc/46/64/45/815466445.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 1 2 281.400 0.208 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001267694587 811660290 /nfs/dbraw/zinc/66/02/90/811660290.db2.gz DCVGONXAMUOXLU-ZIAGYGMSSA-N 1 2 291.395 0.076 20 30 CCEDLO CC#CCN1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267698710 811663290 /nfs/dbraw/zinc/66/32/90/811663290.db2.gz GETXKDJQTYYUPC-UHFFFAOYSA-N 1 2 260.341 0.263 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)Cn2ccnc2C)C1 ZINC001267698710 811663292 /nfs/dbraw/zinc/66/32/92/811663292.db2.gz GETXKDJQTYYUPC-UHFFFAOYSA-N 1 2 260.341 0.263 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001267722903 811686637 /nfs/dbraw/zinc/68/66/37/811686637.db2.gz RBEPGAOHGJBKIR-ZDUSSCGKSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001267722903 811686642 /nfs/dbraw/zinc/68/66/42/811686642.db2.gz RBEPGAOHGJBKIR-ZDUSSCGKSA-N 1 2 291.395 0.363 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267731799 811702136 /nfs/dbraw/zinc/70/21/36/811702136.db2.gz UCFZQLRUIHPTET-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267731799 811702146 /nfs/dbraw/zinc/70/21/46/811702146.db2.gz UCFZQLRUIHPTET-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083294720 811778350 /nfs/dbraw/zinc/77/83/50/811778350.db2.gz PVVBADCYGGHXHF-KGLIPLIRSA-N 1 2 291.326 0.769 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083294720 811778355 /nfs/dbraw/zinc/77/83/55/811778355.db2.gz PVVBADCYGGHXHF-KGLIPLIRSA-N 1 2 291.326 0.769 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001267810243 811807312 /nfs/dbraw/zinc/80/73/12/811807312.db2.gz ZQERUCHKZQVFAK-NEPJUHHUSA-N 1 2 275.356 0.453 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccco3)C2)nn1 ZINC001105136774 811853930 /nfs/dbraw/zinc/85/39/30/811853930.db2.gz FNQRZKBMIGPJCQ-UHFFFAOYSA-N 1 2 299.334 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001077338004 815482045 /nfs/dbraw/zinc/48/20/45/815482045.db2.gz FPWKILPSAAGDCU-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001077338004 815482048 /nfs/dbraw/zinc/48/20/48/815482048.db2.gz FPWKILPSAAGDCU-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCF)C2)nn1 ZINC001105305717 811901326 /nfs/dbraw/zinc/90/13/26/811901326.db2.gz NHXHMHVKSBNACJ-UHFFFAOYSA-N 1 2 293.346 0.524 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001125967368 811950060 /nfs/dbraw/zinc/95/00/60/811950060.db2.gz SVHYKLYUMKUJIZ-UHFFFAOYSA-N 1 2 294.355 0.615 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001268019802 811965737 /nfs/dbraw/zinc/96/57/37/811965737.db2.gz RVBPIPFBFFWJGV-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001268019802 811965742 /nfs/dbraw/zinc/96/57/42/811965742.db2.gz RVBPIPFBFFWJGV-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001268020721 811967575 /nfs/dbraw/zinc/96/75/75/811967575.db2.gz JSHBQLUHRHLXAU-ZFWWWQNUSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001268020721 811967579 /nfs/dbraw/zinc/96/75/79/811967579.db2.gz JSHBQLUHRHLXAU-ZFWWWQNUSA-N 1 2 282.384 0.541 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242924 812079884 /nfs/dbraw/zinc/07/98/84/812079884.db2.gz DZJMYCKPHXNUOE-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078361 812255959 /nfs/dbraw/zinc/25/59/59/812255959.db2.gz IFWWPTPVFVWGHR-VIFPVBQESA-N 1 2 284.751 0.157 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078361 812255965 /nfs/dbraw/zinc/25/59/65/812255965.db2.gz IFWWPTPVFVWGHR-VIFPVBQESA-N 1 2 284.751 0.157 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001126331905 812347270 /nfs/dbraw/zinc/34/72/70/812347270.db2.gz DDZXPWGUOWSLTI-NSHDSACASA-N 1 2 294.355 0.786 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001038942116 812427151 /nfs/dbraw/zinc/42/71/51/812427151.db2.gz RBVBPTLPTOQMNB-NSHDSACASA-N 1 2 297.314 0.008 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001038942116 812427155 /nfs/dbraw/zinc/42/71/55/812427155.db2.gz RBVBPTLPTOQMNB-NSHDSACASA-N 1 2 297.314 0.008 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](CCOC)C2)CCOCC1 ZINC001268478365 812637459 /nfs/dbraw/zinc/63/74/59/812637459.db2.gz FQMIPHXWSWLWLY-UHFFFAOYSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCCOCC(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001268491462 812679790 /nfs/dbraw/zinc/67/97/90/812679790.db2.gz IOVNDOMZCRFBFL-LLVKDONJSA-N 1 2 256.346 0.414 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038394670 812782779 /nfs/dbraw/zinc/78/27/79/812782779.db2.gz XDROULASJMHPBU-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038394670 812782783 /nfs/dbraw/zinc/78/27/83/812782783.db2.gz XDROULASJMHPBU-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)[C@@H](O)C1 ZINC001083628751 815570299 /nfs/dbraw/zinc/57/02/99/815570299.db2.gz MLYPGVVCMAVJKH-MNOVXSKESA-N 1 2 295.289 0.427 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)[C@@H](O)C1 ZINC001083628751 815570300 /nfs/dbraw/zinc/57/03/00/815570300.db2.gz MLYPGVVCMAVJKH-MNOVXSKESA-N 1 2 295.289 0.427 20 30 CCEDLO C#CCCCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001268823248 813103359 /nfs/dbraw/zinc/10/33/59/813103359.db2.gz QIBGUBYOCBHDTF-UHFFFAOYSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)C)C1 ZINC001268900728 813138699 /nfs/dbraw/zinc/13/86/99/813138699.db2.gz MPDFLMWTGVLPNQ-NSHDSACASA-N 1 2 279.384 0.218 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H](C)OC ZINC001268939902 813150281 /nfs/dbraw/zinc/15/02/81/813150281.db2.gz VQUGAPRIKXNMOQ-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H](C)OC ZINC001268939902 813150284 /nfs/dbraw/zinc/15/02/84/813150284.db2.gz VQUGAPRIKXNMOQ-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO CCC#CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001268954507 813156748 /nfs/dbraw/zinc/15/67/48/813156748.db2.gz YKRJDLDSUBLIOD-UHFFFAOYSA-N 1 2 272.352 0.583 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C(C)(C)C ZINC001269142981 813238020 /nfs/dbraw/zinc/23/80/20/813238020.db2.gz SNSFGFPREMMWNM-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C(C)(C)C ZINC001269142981 813238025 /nfs/dbraw/zinc/23/80/25/813238025.db2.gz SNSFGFPREMMWNM-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO CCO[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC)C1CC1 ZINC001269235364 813282450 /nfs/dbraw/zinc/28/24/50/813282450.db2.gz KDRKONLABMZZAY-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO CCO[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)C1CC1 ZINC001269235364 813282454 /nfs/dbraw/zinc/28/24/54/813282454.db2.gz KDRKONLABMZZAY-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COCc1cc[nH]c(=O)c1 ZINC001269254706 813292909 /nfs/dbraw/zinc/29/29/09/813292909.db2.gz DSMZBBSYRSQZOW-ZDUSSCGKSA-N 1 2 289.335 0.128 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1cc[nH]c(=O)c1 ZINC001269254706 813292916 /nfs/dbraw/zinc/29/29/16/813292916.db2.gz DSMZBBSYRSQZOW-ZDUSSCGKSA-N 1 2 289.335 0.128 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269272411 813298970 /nfs/dbraw/zinc/29/89/70/813298970.db2.gz KKPDKFGYOYQZOQ-NEPJUHHUSA-N 1 2 256.321 0.575 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269272411 813298974 /nfs/dbraw/zinc/29/89/74/813298974.db2.gz KKPDKFGYOYQZOQ-NEPJUHHUSA-N 1 2 256.321 0.575 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038418027 813708024 /nfs/dbraw/zinc/70/80/24/813708024.db2.gz OUKWFPFHCFIEER-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001083403128 813845726 /nfs/dbraw/zinc/84/57/26/813845726.db2.gz MZBFCOVMRXISCV-NEPJUHHUSA-N 1 2 266.316 0.579 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001083403128 813845734 /nfs/dbraw/zinc/84/57/34/813845734.db2.gz MZBFCOVMRXISCV-NEPJUHHUSA-N 1 2 266.316 0.579 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001059426495 814300839 /nfs/dbraw/zinc/30/08/39/814300839.db2.gz CHVRQKNESSSVLA-MGCOHNPYSA-N 1 2 297.322 0.373 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059224 814324767 /nfs/dbraw/zinc/32/47/67/814324767.db2.gz OPIAPZKWQFDAMU-KGLIPLIRSA-N 1 2 287.367 0.577 20 30 CCEDLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)[nH]1 ZINC001029676425 814535375 /nfs/dbraw/zinc/53/53/75/814535375.db2.gz AQCQVUNAKODUDS-PWSUYJOCSA-N 1 2 290.371 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)[nH]1 ZINC001029676425 814535380 /nfs/dbraw/zinc/53/53/80/814535380.db2.gz AQCQVUNAKODUDS-PWSUYJOCSA-N 1 2 290.371 0.553 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493383 814742896 /nfs/dbraw/zinc/74/28/96/814742896.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493383 814742903 /nfs/dbraw/zinc/74/29/03/814742903.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001127039591 815589289 /nfs/dbraw/zinc/58/92/89/815589289.db2.gz MPLMJNVTPHIZDG-LLVKDONJSA-N 1 2 294.355 0.437 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001038471235 814867604 /nfs/dbraw/zinc/86/76/04/814867604.db2.gz VASOWZXEFKIRAJ-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001038471235 814867608 /nfs/dbraw/zinc/86/76/08/814867608.db2.gz VASOWZXEFKIRAJ-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001038473569 814896152 /nfs/dbraw/zinc/89/61/52/814896152.db2.gz OXBFKRYQQKPTQV-CQSZACIVSA-N 1 2 297.358 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001038473569 814896154 /nfs/dbraw/zinc/89/61/54/814896154.db2.gz OXBFKRYQQKPTQV-CQSZACIVSA-N 1 2 297.358 0.643 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](O)C1 ZINC001083660424 815626801 /nfs/dbraw/zinc/62/68/01/815626801.db2.gz XAZNMWBAMUZKEW-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](O)C1 ZINC001083660424 815626804 /nfs/dbraw/zinc/62/68/04/815626804.db2.gz XAZNMWBAMUZKEW-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@@H](O)C1 ZINC001083661582 815629825 /nfs/dbraw/zinc/62/98/25/815629825.db2.gz GYHZHXWSCIKWAK-QMIVOQANSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@@H](O)C1 ZINC001083661582 815629830 /nfs/dbraw/zinc/62/98/30/815629830.db2.gz GYHZHXWSCIKWAK-QMIVOQANSA-N 1 2 276.380 0.607 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1CC#N ZINC000947757606 815946810 /nfs/dbraw/zinc/94/68/10/815946810.db2.gz CIUUCOIYSMQMNM-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001030330645 815978466 /nfs/dbraw/zinc/97/84/66/815978466.db2.gz QEMDZXOUWJVODV-NSHDSACASA-N 1 2 262.357 0.900 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001030349693 815989465 /nfs/dbraw/zinc/98/94/65/815989465.db2.gz QHSDEBHUFZEARF-CQSZACIVSA-N 1 2 287.367 0.224 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001030349693 815989469 /nfs/dbraw/zinc/98/94/69/815989469.db2.gz QHSDEBHUFZEARF-CQSZACIVSA-N 1 2 287.367 0.224 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nnc2C)C1 ZINC001030372996 816000385 /nfs/dbraw/zinc/00/03/85/816000385.db2.gz CAGLDTFZUDZRQA-UHFFFAOYSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030528992 816087459 /nfs/dbraw/zinc/08/74/59/816087459.db2.gz IEFKSWQXCLEXMJ-UHFFFAOYSA-N 1 2 254.293 0.610 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cn3ccccc3n2)C1 ZINC001030537498 816096247 /nfs/dbraw/zinc/09/62/47/816096247.db2.gz PUAFUBGLXOSANJ-UHFFFAOYSA-N 1 2 282.347 0.701 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001030550820 816103238 /nfs/dbraw/zinc/10/32/38/816103238.db2.gz JVEJGRSNAYYENM-NSHDSACASA-N 1 2 294.786 0.998 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001030560869 816109583 /nfs/dbraw/zinc/10/95/83/816109583.db2.gz PGUPTSVCMKLRBL-CHWSQXEVSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC001088969679 816196803 /nfs/dbraw/zinc/19/68/03/816196803.db2.gz JNKANWKZDNPTGF-ZJUUUORDSA-N 1 2 283.763 0.679 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC001088969679 816196808 /nfs/dbraw/zinc/19/68/08/816196808.db2.gz JNKANWKZDNPTGF-ZJUUUORDSA-N 1 2 283.763 0.679 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001030835774 816331521 /nfs/dbraw/zinc/33/15/21/816331521.db2.gz AZMVKUJJWGSZNC-FZMZJTMJSA-N 1 2 286.379 0.899 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc3ccccc3o2)[C@@H](O)C1 ZINC001083685673 816378690 /nfs/dbraw/zinc/37/86/90/816378690.db2.gz GLJSHIMUBCGSDV-CABCVRRESA-N 1 2 298.342 0.770 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc3ccccc3o2)[C@@H](O)C1 ZINC001083685673 816378694 /nfs/dbraw/zinc/37/86/94/816378694.db2.gz GLJSHIMUBCGSDV-CABCVRRESA-N 1 2 298.342 0.770 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001030909956 816419736 /nfs/dbraw/zinc/41/97/36/816419736.db2.gz CXDGQPIFNCQDBZ-ZDUSSCGKSA-N 1 2 251.330 0.032 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)[C@@H](O)C1 ZINC001083691105 816420085 /nfs/dbraw/zinc/42/00/85/816420085.db2.gz YQMOYDNHUXBDPK-CABCVRRESA-N 1 2 268.316 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)[C@@H](O)C1 ZINC001083691105 816420090 /nfs/dbraw/zinc/42/00/90/816420090.db2.gz YQMOYDNHUXBDPK-CABCVRRESA-N 1 2 268.316 0.076 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCSC)C[C@@]2(F)C1=O ZINC001272460411 816446730 /nfs/dbraw/zinc/44/67/30/816446730.db2.gz YQPOLHGHGVPAJO-QWHCGFSZSA-N 1 2 288.363 0.947 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCSC)C[C@@]2(F)C1=O ZINC001272460411 816446731 /nfs/dbraw/zinc/44/67/31/816446731.db2.gz YQPOLHGHGVPAJO-QWHCGFSZSA-N 1 2 288.363 0.947 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001031037006 816592639 /nfs/dbraw/zinc/59/26/39/816592639.db2.gz WHGPQQMDLDCIPB-UHFFFAOYSA-N 1 2 260.341 0.901 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031077425 816629174 /nfs/dbraw/zinc/62/91/74/816629174.db2.gz TZRUWBPDHKRZTA-KBPBESRZSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031088123 816635328 /nfs/dbraw/zinc/63/53/28/816635328.db2.gz KYVNJXYBVQDULK-XBFCOCLRSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(CC)nn2C)C1 ZINC001031140760 816694762 /nfs/dbraw/zinc/69/47/62/816694762.db2.gz JLTIOXLGDZLVCP-UHFFFAOYSA-N 1 2 262.357 0.973 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C(C)C)nn2)C1 ZINC001031164021 816724015 /nfs/dbraw/zinc/72/40/15/816724015.db2.gz OXMZCULUBWPYBJ-UHFFFAOYSA-N 1 2 261.329 0.296 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001031195763 816781433 /nfs/dbraw/zinc/78/14/33/816781433.db2.gz TWDAKCMYMNYQGZ-UHFFFAOYSA-N 1 2 281.319 0.315 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CCNCC#N)C1 ZINC001272625961 816871468 /nfs/dbraw/zinc/87/14/68/816871468.db2.gz XWZGXDAJXJFFHI-LBPRGKRZSA-N 1 2 275.356 0.612 20 30 CCEDLO C=CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001031245789 816879198 /nfs/dbraw/zinc/87/91/98/816879198.db2.gz KTTLSEFIQZQMNO-UHFFFAOYSA-N 1 2 283.335 0.867 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001031271394 816919205 /nfs/dbraw/zinc/91/92/05/816919205.db2.gz FPIYBSFXHOOVNA-UHFFFAOYSA-N 1 2 299.374 0.826 20 30 CCEDLO CCN(CCNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106823081 816935804 /nfs/dbraw/zinc/93/58/04/816935804.db2.gz ZGUGLBWWXVQERW-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CCN(CCNc1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829274 816940567 /nfs/dbraw/zinc/94/05/67/816940567.db2.gz KSHHICILEZPQLQ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCO)C1 ZINC001031316163 816969428 /nfs/dbraw/zinc/96/94/28/816969428.db2.gz HMBDHBACDHANRQ-UHFFFAOYSA-N 1 2 258.321 0.003 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001083754561 817003311 /nfs/dbraw/zinc/00/33/11/817003311.db2.gz XDKUFXZUMKDCRC-OLZOCXBDSA-N 1 2 270.348 0.864 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC001083754561 817003317 /nfs/dbraw/zinc/00/33/17/817003317.db2.gz XDKUFXZUMKDCRC-OLZOCXBDSA-N 1 2 270.348 0.864 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nc3ncccn3n2)C1 ZINC001031383777 817014867 /nfs/dbraw/zinc/01/48/67/817014867.db2.gz MNRKHWGRDAWRLL-UHFFFAOYSA-N 1 2 286.339 0.043 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001031418395 817045808 /nfs/dbraw/zinc/04/58/08/817045808.db2.gz VZXAZSUUQQOINH-LLVKDONJSA-N 1 2 272.352 0.338 20 30 CCEDLO C=C(Br)CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476589 817072460 /nfs/dbraw/zinc/07/24/60/817072460.db2.gz XAZJKNVPBXBQAX-UHFFFAOYSA-N 1 2 299.172 0.592 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001031703712 817264840 /nfs/dbraw/zinc/26/48/40/817264840.db2.gz KYKFALAWUVXVQC-UHFFFAOYSA-N 1 2 296.330 0.218 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782835 817363037 /nfs/dbraw/zinc/36/30/37/817363037.db2.gz NDWQFXHFNNWMMK-GFCCVEGCSA-N 1 2 273.340 0.017 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212346936 817425070 /nfs/dbraw/zinc/42/50/70/817425070.db2.gz JXYXXGWWTUZJEC-FRRDWIJNSA-N 1 2 295.383 0.047 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212346936 817425074 /nfs/dbraw/zinc/42/50/74/817425074.db2.gz JXYXXGWWTUZJEC-FRRDWIJNSA-N 1 2 295.383 0.047 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001031901608 817451591 /nfs/dbraw/zinc/45/15/91/817451591.db2.gz HQDPQCIQMPUZRY-NSHDSACASA-N 1 2 285.775 0.408 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001031931937 817473733 /nfs/dbraw/zinc/47/37/33/817473733.db2.gz ZNRLOXKNBUTMLT-GFCCVEGCSA-N 1 2 287.367 0.296 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124888006 817615946 /nfs/dbraw/zinc/61/59/46/817615946.db2.gz CTLDEFCPAIHNSS-RKDXNWHRSA-N 1 2 281.316 0.142 20 30 CCEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124902084 817624584 /nfs/dbraw/zinc/62/45/84/817624584.db2.gz GPFNGJMYWRPJNG-RKDXNWHRSA-N 1 2 265.317 0.558 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001124903940 817629374 /nfs/dbraw/zinc/62/93/74/817629374.db2.gz URAULVYMXRZOOQ-SECBINFHSA-N 1 2 289.295 0.695 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001124908413 817631743 /nfs/dbraw/zinc/63/17/43/817631743.db2.gz KAFQIYJCFFIELP-RKDXNWHRSA-N 1 2 277.328 0.873 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001125248378 817742740 /nfs/dbraw/zinc/74/27/40/817742740.db2.gz UWKRGSMWMQNAHO-UHFFFAOYSA-N 1 2 292.383 0.974 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC)nn2)C1 ZINC001107111284 817756495 /nfs/dbraw/zinc/75/64/95/817756495.db2.gz ODQWFVNKZGUVAF-UHFFFAOYSA-N 1 2 263.345 0.737 20 30 CCEDLO C=CCOCC[NH2+]CCNC(=O)c1cncc2nc[nH]c21 ZINC001127801362 817888120 /nfs/dbraw/zinc/88/81/20/817888120.db2.gz KGRPILPDEOQSKF-UHFFFAOYSA-N 1 2 289.339 0.480 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOC)C1 ZINC001107667715 817926164 /nfs/dbraw/zinc/92/61/64/817926164.db2.gz NSZLQJUESKWUNG-AWEZNQCLSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOC)C1 ZINC001107667715 817926168 /nfs/dbraw/zinc/92/61/68/817926168.db2.gz NSZLQJUESKWUNG-AWEZNQCLSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1OCCCO1 ZINC001032367397 818016683 /nfs/dbraw/zinc/01/66/83/818016683.db2.gz WPFWAZBYKCKSLZ-RYUDHWBXSA-N 1 2 264.325 0.058 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1OCCCO1 ZINC001032367397 818016692 /nfs/dbraw/zinc/01/66/92/818016692.db2.gz WPFWAZBYKCKSLZ-RYUDHWBXSA-N 1 2 264.325 0.058 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOCC)C1 ZINC001107807396 818021966 /nfs/dbraw/zinc/02/19/66/818021966.db2.gz ZAMYKNBNXFTLKP-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOCC)C1 ZINC001107807396 818021976 /nfs/dbraw/zinc/02/19/76/818021976.db2.gz ZAMYKNBNXFTLKP-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001078717774 818041453 /nfs/dbraw/zinc/04/14/53/818041453.db2.gz FWJQAQKFWAGWKV-MNOVXSKESA-N 1 2 276.315 0.813 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001089976952 818107094 /nfs/dbraw/zinc/10/70/94/818107094.db2.gz RSTVXHAEFZVGKQ-HUUCEWRRSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001089976952 818107095 /nfs/dbraw/zinc/10/70/95/818107095.db2.gz RSTVXHAEFZVGKQ-HUUCEWRRSA-N 1 2 291.326 0.769 20 30 CCEDLO C=C(C)CN1CC2(CN(Cc3c[nH+]cn3C)C2)OCC1=O ZINC001272996668 818284726 /nfs/dbraw/zinc/28/47/26/818284726.db2.gz LSECRCNCICGWLE-UHFFFAOYSA-N 1 2 290.367 0.409 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819427 818286592 /nfs/dbraw/zinc/28/65/92/818286592.db2.gz BFXNIDBOBPGZHU-QLFBSQMISA-N 1 2 290.338 0.882 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819427 818286598 /nfs/dbraw/zinc/28/65/98/818286598.db2.gz BFXNIDBOBPGZHU-QLFBSQMISA-N 1 2 290.338 0.882 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029786 818293401 /nfs/dbraw/zinc/29/34/01/818293401.db2.gz GYNRYORAFIXSIG-PWSUYJOCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029786 818293408 /nfs/dbraw/zinc/29/34/08/818293408.db2.gz GYNRYORAFIXSIG-PWSUYJOCSA-N 1 2 299.758 0.901 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)COC)C1 ZINC001108071649 818537414 /nfs/dbraw/zinc/53/74/14/818537414.db2.gz VIJODGZDLKLOJE-MRXNPFEDSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)COC)C1 ZINC001108071649 818537418 /nfs/dbraw/zinc/53/74/18/818537418.db2.gz VIJODGZDLKLOJE-MRXNPFEDSA-N 1 2 296.411 0.889 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083846224 818587239 /nfs/dbraw/zinc/58/72/39/818587239.db2.gz NPUCCFYWOSYRJP-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083846224 818587244 /nfs/dbraw/zinc/58/72/44/818587244.db2.gz NPUCCFYWOSYRJP-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128602735 818731510 /nfs/dbraw/zinc/73/15/10/818731510.db2.gz VTVVYSZOIXHAND-LBPRGKRZSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128602735 818731515 /nfs/dbraw/zinc/73/15/15/818731515.db2.gz VTVVYSZOIXHAND-LBPRGKRZSA-N 1 2 292.383 0.926 20 30 CCEDLO C#CCN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358015 818737474 /nfs/dbraw/zinc/73/74/74/818737474.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358015 818737476 /nfs/dbraw/zinc/73/74/76/818737476.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128636666 818765708 /nfs/dbraw/zinc/76/57/08/818765708.db2.gz BISSIUDVBMPBPH-OLZOCXBDSA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128636666 818765715 /nfs/dbraw/zinc/76/57/15/818765715.db2.gz BISSIUDVBMPBPH-OLZOCXBDSA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001033491419 818802014 /nfs/dbraw/zinc/80/20/14/818802014.db2.gz QMWRIFORVBTRAB-JTQLQIEISA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001033491419 818802020 /nfs/dbraw/zinc/80/20/20/818802020.db2.gz QMWRIFORVBTRAB-JTQLQIEISA-N 1 2 291.376 0.627 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207668 819173272 /nfs/dbraw/zinc/17/32/72/819173272.db2.gz XJXXQUGJSYPZHY-ZYHUDNBSSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207668 819173274 /nfs/dbraw/zinc/17/32/74/819173274.db2.gz XJXXQUGJSYPZHY-ZYHUDNBSSA-N 1 2 299.758 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cnn2C)C1 ZINC001108139701 819287179 /nfs/dbraw/zinc/28/71/79/819287179.db2.gz DPXIFQMXYQUSMC-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cnn2C)C1 ZINC001108139701 819287187 /nfs/dbraw/zinc/28/71/87/819287187.db2.gz DPXIFQMXYQUSMC-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035295165 819440591 /nfs/dbraw/zinc/44/05/91/819440591.db2.gz UHLJORROSXWZCR-CYBMUJFWSA-N 1 2 262.309 0.734 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035295165 819440596 /nfs/dbraw/zinc/44/05/96/819440596.db2.gz UHLJORROSXWZCR-CYBMUJFWSA-N 1 2 262.309 0.734 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035307079 819459926 /nfs/dbraw/zinc/45/99/26/819459926.db2.gz UEHOFOOIZLNLDO-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035307079 819459930 /nfs/dbraw/zinc/45/99/30/819459930.db2.gz UEHOFOOIZLNLDO-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035330077 819475588 /nfs/dbraw/zinc/47/55/88/819475588.db2.gz LMMMZJZQIVVIJR-GFCCVEGCSA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035330077 819475593 /nfs/dbraw/zinc/47/55/93/819475593.db2.gz LMMMZJZQIVVIJR-GFCCVEGCSA-N 1 2 277.324 0.404 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccn2CC)C1 ZINC001035356909 819497738 /nfs/dbraw/zinc/49/77/38/819497738.db2.gz YWSIVUGWOSTNSV-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccn2CC)C1 ZINC001035356909 819497741 /nfs/dbraw/zinc/49/77/41/819497741.db2.gz YWSIVUGWOSTNSV-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035364998 819502424 /nfs/dbraw/zinc/50/24/24/819502424.db2.gz MGCZBNZGJBPOGB-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035364998 819502430 /nfs/dbraw/zinc/50/24/30/819502430.db2.gz MGCZBNZGJBPOGB-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001035453685 819520036 /nfs/dbraw/zinc/52/00/36/819520036.db2.gz PDAQQLAJLZKECJ-KFWWJZLASA-N 1 2 294.395 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001035453685 819520041 /nfs/dbraw/zinc/52/00/41/819520041.db2.gz PDAQQLAJLZKECJ-KFWWJZLASA-N 1 2 294.395 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035482620 819532875 /nfs/dbraw/zinc/53/28/75/819532875.db2.gz YYPQIMCJRLDXPJ-SNVBAGLBSA-N 1 2 297.380 0.855 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035482620 819532883 /nfs/dbraw/zinc/53/28/83/819532883.db2.gz YYPQIMCJRLDXPJ-SNVBAGLBSA-N 1 2 297.380 0.855 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035464671 819538499 /nfs/dbraw/zinc/53/84/99/819538499.db2.gz XFQXYLXEVGBOQR-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035464671 819538504 /nfs/dbraw/zinc/53/85/04/819538504.db2.gz XFQXYLXEVGBOQR-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001035586890 819577487 /nfs/dbraw/zinc/57/74/87/819577487.db2.gz UWDNSRINYIWVAL-MRXNPFEDSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001035586890 819577492 /nfs/dbraw/zinc/57/74/92/819577492.db2.gz UWDNSRINYIWVAL-MRXNPFEDSA-N 1 2 297.358 0.517 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC=C)CCO2)nc1 ZINC001035583685 819577785 /nfs/dbraw/zinc/57/77/85/819577785.db2.gz PNBAOAMKTITXCL-CQSZACIVSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCO2)nc1 ZINC001035583685 819577790 /nfs/dbraw/zinc/57/77/90/819577790.db2.gz PNBAOAMKTITXCL-CQSZACIVSA-N 1 2 285.347 0.680 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001035631997 819585768 /nfs/dbraw/zinc/58/57/68/819585768.db2.gz XFJOGTYLZLIXBT-KGLIPLIRSA-N 1 2 294.395 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001035631997 819585776 /nfs/dbraw/zinc/58/57/76/819585776.db2.gz XFJOGTYLZLIXBT-KGLIPLIRSA-N 1 2 294.395 0.806 20 30 CCEDLO N#Cc1c[nH]c2ncc(-n3[nH]c(=O)nc3C[NH3+])cc12 ZINC001168760623 819733787 /nfs/dbraw/zinc/73/37/87/819733787.db2.gz CCLTVUIUXCUMMY-UHFFFAOYSA-N 1 2 255.241 0.180 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](O)C1 ZINC001083882353 820054085 /nfs/dbraw/zinc/05/40/85/820054085.db2.gz WCTJXXPFPZVKOV-NEPJUHHUSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](O)C1 ZINC001083882353 820054093 /nfs/dbraw/zinc/05/40/93/820054093.db2.gz WCTJXXPFPZVKOV-NEPJUHHUSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccnc32)[C@@H](O)C1 ZINC001083887169 820085714 /nfs/dbraw/zinc/08/57/14/820085714.db2.gz XWRGPMZCWFIZRZ-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccnc32)[C@@H](O)C1 ZINC001083887169 820085722 /nfs/dbraw/zinc/08/57/22/820085722.db2.gz XWRGPMZCWFIZRZ-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064306721 820192973 /nfs/dbraw/zinc/19/29/73/820192973.db2.gz OMMWIMUAZBSJNP-SNVBAGLBSA-N 1 2 289.339 0.267 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083910518 820217767 /nfs/dbraw/zinc/21/77/67/820217767.db2.gz IPCPYZKDICUJKG-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](O)C1 ZINC001083910518 820217771 /nfs/dbraw/zinc/21/77/71/820217771.db2.gz IPCPYZKDICUJKG-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712269878 820249026 /nfs/dbraw/zinc/24/90/26/820249026.db2.gz FKSBHCCYVIOACU-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712269878 820249034 /nfs/dbraw/zinc/24/90/34/820249034.db2.gz FKSBHCCYVIOACU-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@@H](O)C1 ZINC001083922376 820274064 /nfs/dbraw/zinc/27/40/64/820274064.db2.gz PRNFXLOBSXUTAQ-SCZZXKLOSA-N 1 2 299.783 0.595 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@@H](O)C1 ZINC001083922376 820274073 /nfs/dbraw/zinc/27/40/73/820274073.db2.gz PRNFXLOBSXUTAQ-SCZZXKLOSA-N 1 2 299.783 0.595 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001080903119 820652953 /nfs/dbraw/zinc/65/29/53/820652953.db2.gz BSBHEUINBDOPAE-MWLCHTKSSA-N 1 2 283.763 0.467 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001080903119 820652958 /nfs/dbraw/zinc/65/29/58/820652958.db2.gz BSBHEUINBDOPAE-MWLCHTKSSA-N 1 2 283.763 0.467 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001081345501 820743748 /nfs/dbraw/zinc/74/37/48/820743748.db2.gz NNDLRKMGLWCJLS-GHMZBOCLSA-N 1 2 296.396 0.852 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001081345501 820743753 /nfs/dbraw/zinc/74/37/53/820743753.db2.gz NNDLRKMGLWCJLS-GHMZBOCLSA-N 1 2 296.396 0.852 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001081345503 820743976 /nfs/dbraw/zinc/74/39/76/820743976.db2.gz NQUXTHPTZBQPEZ-GHMZBOCLSA-N 1 2 294.380 0.299 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001081345503 820743982 /nfs/dbraw/zinc/74/39/82/820743982.db2.gz NQUXTHPTZBQPEZ-GHMZBOCLSA-N 1 2 294.380 0.299 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001081414965 820760161 /nfs/dbraw/zinc/76/01/61/820760161.db2.gz BLEHDQNXHWCBRI-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001081414965 820760169 /nfs/dbraw/zinc/76/01/69/820760169.db2.gz BLEHDQNXHWCBRI-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@H](OC)C1 ZINC001081735931 820822553 /nfs/dbraw/zinc/82/25/53/820822553.db2.gz GEUCSFJGBSVADX-MWLCHTKSSA-N 1 2 298.293 0.340 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@H](OC)C1 ZINC001081735931 820822565 /nfs/dbraw/zinc/82/25/65/820822565.db2.gz GEUCSFJGBSVADX-MWLCHTKSSA-N 1 2 298.293 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@H](OC)C1 ZINC001081876910 820852486 /nfs/dbraw/zinc/85/24/86/820852486.db2.gz SSJLLSXDOWWDEV-VXGBXAGGSA-N 1 2 268.332 0.717 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@H](OC)C1 ZINC001081876910 820852498 /nfs/dbraw/zinc/85/24/98/820852498.db2.gz SSJLLSXDOWWDEV-VXGBXAGGSA-N 1 2 268.332 0.717 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001082106323 820903408 /nfs/dbraw/zinc/90/34/08/820903408.db2.gz LYFCFBRJDIVRLG-GHMZBOCLSA-N 1 2 280.303 0.001 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001082106323 820903415 /nfs/dbraw/zinc/90/34/15/820903415.db2.gz LYFCFBRJDIVRLG-GHMZBOCLSA-N 1 2 280.303 0.001 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@H](OC)C1 ZINC001082302050 820934866 /nfs/dbraw/zinc/93/48/66/820934866.db2.gz XECXPEIITJQTMZ-VXGBXAGGSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@H](OC)C1 ZINC001082302050 820934871 /nfs/dbraw/zinc/93/48/71/820934871.db2.gz XECXPEIITJQTMZ-VXGBXAGGSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](OC)C1 ZINC001082335276 820936305 /nfs/dbraw/zinc/93/63/05/820936305.db2.gz FVOAQSXOTCCXIU-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](OC)C1 ZINC001082335276 820936306 /nfs/dbraw/zinc/93/63/06/820936306.db2.gz FVOAQSXOTCCXIU-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccoc3)[C@H]2C1 ZINC001083058813 821131651 /nfs/dbraw/zinc/13/16/51/821131651.db2.gz YYQJYQBGWQELBR-UONOGXRCSA-N 1 2 274.320 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccoc3)[C@H]2C1 ZINC001083058813 821131655 /nfs/dbraw/zinc/13/16/55/821131655.db2.gz YYQJYQBGWQELBR-UONOGXRCSA-N 1 2 274.320 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncc(C)cc3C)[C@H]2C1 ZINC001083149848 821145913 /nfs/dbraw/zinc/14/59/13/821145913.db2.gz OYWSMGHCXCBVIA-LSDHHAIUSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncc(C)cc3C)[C@H]2C1 ZINC001083149848 821145919 /nfs/dbraw/zinc/14/59/19/821145919.db2.gz OYWSMGHCXCBVIA-LSDHHAIUSA-N 1 2 299.374 0.857 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]nc3C)[C@H]2C1 ZINC001083159110 821150006 /nfs/dbraw/zinc/15/00/06/821150006.db2.gz JSDNCCHAORPXOX-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]nc3C)[C@H]2C1 ZINC001083159110 821150007 /nfs/dbraw/zinc/15/00/07/821150007.db2.gz JSDNCCHAORPXOX-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H](O)C1 ZINC001083936989 821158058 /nfs/dbraw/zinc/15/80/58/821158058.db2.gz GCPMHBZNKNQJAY-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H](O)C1 ZINC001083936989 821158061 /nfs/dbraw/zinc/15/80/61/821158061.db2.gz GCPMHBZNKNQJAY-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 ZINC001083974775 821175272 /nfs/dbraw/zinc/17/52/72/821175272.db2.gz GSHLLMSENSLJFS-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 ZINC001083974775 821175280 /nfs/dbraw/zinc/17/52/80/821175280.db2.gz GSHLLMSENSLJFS-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2C(C)C)[C@@H](O)C1 ZINC001084064309 821189730 /nfs/dbraw/zinc/18/97/30/821189730.db2.gz MDTMYTSILKDURD-OLZOCXBDSA-N 1 2 288.351 0.008 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C(C)C)[C@@H](O)C1 ZINC001084064309 821189734 /nfs/dbraw/zinc/18/97/34/821189734.db2.gz MDTMYTSILKDURD-OLZOCXBDSA-N 1 2 288.351 0.008 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](O)C1 ZINC001084098719 821198353 /nfs/dbraw/zinc/19/83/53/821198353.db2.gz SUZWYXITXBKSKH-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](O)C1 ZINC001084098719 821198360 /nfs/dbraw/zinc/19/83/60/821198360.db2.gz SUZWYXITXBKSKH-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](COC)OC)C1 ZINC001108195899 821558736 /nfs/dbraw/zinc/55/87/36/821558736.db2.gz NHMHBPAAFNGQAF-OCCSQVGLSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](COC)OC)C1 ZINC001108195899 821558742 /nfs/dbraw/zinc/55/87/42/821558742.db2.gz NHMHBPAAFNGQAF-OCCSQVGLSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450772 821703735 /nfs/dbraw/zinc/70/37/35/821703735.db2.gz BNASAVCEDMSHIC-KGLIPLIRSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450772 821703739 /nfs/dbraw/zinc/70/37/39/821703739.db2.gz BNASAVCEDMSHIC-KGLIPLIRSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085505246 821748467 /nfs/dbraw/zinc/74/84/67/821748467.db2.gz QXYKYZYZKCDIHT-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085505246 821748471 /nfs/dbraw/zinc/74/84/71/821748471.db2.gz QXYKYZYZKCDIHT-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680387 821894128 /nfs/dbraw/zinc/89/41/28/821894128.db2.gz FKEGADNTHBHSHW-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691867 821906508 /nfs/dbraw/zinc/90/65/08/821906508.db2.gz SFHXUJXCFZYHEQ-LLVKDONJSA-N 1 2 272.352 0.678 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691867 821906513 /nfs/dbraw/zinc/90/65/13/821906513.db2.gz SFHXUJXCFZYHEQ-LLVKDONJSA-N 1 2 272.352 0.678 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085757170 821937382 /nfs/dbraw/zinc/93/73/82/821937382.db2.gz AHHZCMDAFSMQQX-LLVKDONJSA-N 1 2 263.345 0.836 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085757170 821937386 /nfs/dbraw/zinc/93/73/86/821937386.db2.gz AHHZCMDAFSMQQX-LLVKDONJSA-N 1 2 263.345 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ncn(C)c2n1 ZINC001085817259 821966337 /nfs/dbraw/zinc/96/63/37/821966337.db2.gz UCSJVNALRJVSLE-LBPRGKRZSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ncn(C)c2n1 ZINC001085817259 821966342 /nfs/dbraw/zinc/96/63/42/821966342.db2.gz UCSJVNALRJVSLE-LBPRGKRZSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826249 821969757 /nfs/dbraw/zinc/96/97/57/821969757.db2.gz JTWNQEKFFBAOKS-JHJVBQTASA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826249 821969760 /nfs/dbraw/zinc/96/97/60/821969760.db2.gz JTWNQEKFFBAOKS-JHJVBQTASA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085897656 822006971 /nfs/dbraw/zinc/00/69/71/822006971.db2.gz JZKJUPXMPMFLKZ-LBPRGKRZSA-N 1 2 275.356 0.639 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085897656 822006981 /nfs/dbraw/zinc/00/69/81/822006981.db2.gz JZKJUPXMPMFLKZ-LBPRGKRZSA-N 1 2 275.356 0.639 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085923217 822016878 /nfs/dbraw/zinc/01/68/78/822016878.db2.gz TZSOKTQHHFSXIU-GFCCVEGCSA-N 1 2 286.379 0.688 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085923217 822016890 /nfs/dbraw/zinc/01/68/90/822016890.db2.gz TZSOKTQHHFSXIU-GFCCVEGCSA-N 1 2 286.379 0.688 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086004263 822063447 /nfs/dbraw/zinc/06/34/47/822063447.db2.gz AYBMCGXGUIJUFT-CYBMUJFWSA-N 1 2 289.383 0.776 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086004263 822063455 /nfs/dbraw/zinc/06/34/55/822063455.db2.gz AYBMCGXGUIJUFT-CYBMUJFWSA-N 1 2 289.383 0.776 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114055643 837422143 /nfs/dbraw/zinc/42/21/43/837422143.db2.gz YRKQCVANNDQDMT-JYAVWHMHSA-N 1 2 288.351 0.226 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114055643 837422146 /nfs/dbraw/zinc/42/21/46/837422146.db2.gz YRKQCVANNDQDMT-JYAVWHMHSA-N 1 2 288.351 0.226 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)no1 ZINC001114064825 837425135 /nfs/dbraw/zinc/42/51/35/837425135.db2.gz VTAOZNIVOQBISJ-KMLBCRHOSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)no1 ZINC001114064825 837425146 /nfs/dbraw/zinc/42/51/46/837425146.db2.gz VTAOZNIVOQBISJ-KMLBCRHOSA-N 1 2 274.324 0.689 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114247344 837486584 /nfs/dbraw/zinc/48/65/84/837486584.db2.gz JGSYBZCXLAAYLF-NHAGDIPZSA-N 1 2 287.367 0.021 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114247344 837486589 /nfs/dbraw/zinc/48/65/89/837486589.db2.gz JGSYBZCXLAAYLF-NHAGDIPZSA-N 1 2 287.367 0.021 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108408902 836041871 /nfs/dbraw/zinc/04/18/71/836041871.db2.gz PFYQJTJSIJEWOI-ZBFHGGJFSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108408902 836041884 /nfs/dbraw/zinc/04/18/84/836041884.db2.gz PFYQJTJSIJEWOI-ZBFHGGJFSA-N 1 2 296.411 0.889 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C#N)C2)CO1 ZINC001169401969 836251767 /nfs/dbraw/zinc/25/17/67/836251767.db2.gz AQOMWEDOLVFABZ-SRVKXCTJSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)CO1 ZINC001169401969 836251782 /nfs/dbraw/zinc/25/17/82/836251782.db2.gz AQOMWEDOLVFABZ-SRVKXCTJSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)CO1 ZINC001169407249 836257142 /nfs/dbraw/zinc/25/71/42/836257142.db2.gz AQOMWEDOLVFABZ-GRYCIOLGSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H](C#N)C2)CO1 ZINC001169407249 836257163 /nfs/dbraw/zinc/25/71/63/836257163.db2.gz AQOMWEDOLVFABZ-GRYCIOLGSA-N 1 2 252.314 0.943 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)cn1 ZINC001156321123 836285377 /nfs/dbraw/zinc/28/53/77/836285377.db2.gz QAUBAMJGEUNVMZ-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108530123 836426851 /nfs/dbraw/zinc/42/68/51/836426851.db2.gz DPKZVYLLNQEZGV-NSHDSACASA-N 1 2 276.340 0.742 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](F)CC)CC2=O)C1 ZINC001108563937 836452582 /nfs/dbraw/zinc/45/25/82/836452582.db2.gz XEMJOUHHMWRKGK-CMPLNLGQSA-N 1 2 283.347 0.322 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108867301 836556900 /nfs/dbraw/zinc/55/69/00/836556900.db2.gz NVWXFFCXTFAXAD-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102622 836614296 /nfs/dbraw/zinc/61/42/96/836614296.db2.gz WKUGHTDNHSTYGW-LBPRGKRZSA-N 1 2 290.367 0.766 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109260109 836650533 /nfs/dbraw/zinc/65/05/33/836650533.db2.gz AZHXCQZUBSFJDD-WOPDTQHZSA-N 1 2 277.368 0.243 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109260109 836650536 /nfs/dbraw/zinc/65/05/36/836650536.db2.gz AZHXCQZUBSFJDD-WOPDTQHZSA-N 1 2 277.368 0.243 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnccn2)CC1 ZINC001112598537 836806644 /nfs/dbraw/zinc/80/66/44/836806644.db2.gz OTEBEMGSUCQQAE-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)NCC)CC1 ZINC001112697926 836872346 /nfs/dbraw/zinc/87/23/46/836872346.db2.gz WPDFEWZMLPJJNI-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=C(C)CCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001112901941 836956988 /nfs/dbraw/zinc/95/69/88/836956988.db2.gz BTHGJAYUIFHIEB-UHFFFAOYSA-N 1 2 294.399 0.512 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001112910759 836960479 /nfs/dbraw/zinc/96/04/79/836960479.db2.gz KIWZJTAUOVVKGA-ZIAGYGMSSA-N 1 2 291.395 0.316 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC001112920055 836968616 /nfs/dbraw/zinc/96/86/16/836968616.db2.gz XECJILAMVSCSGS-OLZOCXBDSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCC1(O)C[NH+](C[C@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC001184339391 844221287 /nfs/dbraw/zinc/22/12/87/844221287.db2.gz QHDALVFFYPCMLU-DTWKUNHWSA-N 1 2 261.268 0.664 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001112987452 836987782 /nfs/dbraw/zinc/98/77/82/836987782.db2.gz IZHXUQZNEPHMLG-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)nc1 ZINC001113695798 837197566 /nfs/dbraw/zinc/19/75/66/837197566.db2.gz LICZIBNSGCMJOZ-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2[nH]c(=O)ccc2Cl)CC1 ZINC001184805406 844284052 /nfs/dbraw/zinc/28/40/52/844284052.db2.gz OBRDGDVGPCQWAV-UHFFFAOYSA-N 1 2 281.743 0.811 20 30 CCEDLO Cc1[nH+]cn(-c2ccc(N[C@@H](C#N)C(N)=O)nn2)c1C ZINC001170539565 837999889 /nfs/dbraw/zinc/99/98/89/837999889.db2.gz RSDWDNYWFABAHT-VIFPVBQESA-N 1 2 271.284 0.069 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)COCC)CC1 ZINC001131329281 838051078 /nfs/dbraw/zinc/05/10/78/838051078.db2.gz AKKPBKXZSKTFSI-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)COCC)CC1 ZINC001131329281 838051093 /nfs/dbraw/zinc/05/10/93/838051093.db2.gz AKKPBKXZSKTFSI-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131730837 838193485 /nfs/dbraw/zinc/19/34/85/838193485.db2.gz PXAHXHDTVQRIEV-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131730837 838193488 /nfs/dbraw/zinc/19/34/88/838193488.db2.gz PXAHXHDTVQRIEV-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131751824 838207199 /nfs/dbraw/zinc/20/71/99/838207199.db2.gz NIYFKZGLCPWZBR-OLZOCXBDSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131751824 838207209 /nfs/dbraw/zinc/20/72/09/838207209.db2.gz NIYFKZGLCPWZBR-OLZOCXBDSA-N 1 2 294.399 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(=O)NC)CC[C@H]1C ZINC001131971594 838275874 /nfs/dbraw/zinc/27/58/74/838275874.db2.gz KHFUMDZVIFFQQH-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(=O)NC)CC[C@H]1C ZINC001131971594 838275882 /nfs/dbraw/zinc/27/58/82/838275882.db2.gz KHFUMDZVIFFQQH-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132047001 838309767 /nfs/dbraw/zinc/30/97/67/838309767.db2.gz SMLAYXWKYVYPEA-AAEUAGOBSA-N 1 2 277.368 0.115 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132047001 838309774 /nfs/dbraw/zinc/30/97/74/838309774.db2.gz SMLAYXWKYVYPEA-AAEUAGOBSA-N 1 2 277.368 0.115 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CN1CC#N ZINC001132221507 838340424 /nfs/dbraw/zinc/34/04/24/838340424.db2.gz JGBXOWKXDWEXOJ-QWHCGFSZSA-N 1 2 275.356 0.766 20 30 CCEDLO C#CC[NH2+]CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001132248330 838344165 /nfs/dbraw/zinc/34/41/65/838344165.db2.gz UAPOSFROPQKALP-UHFFFAOYSA-N 1 2 269.308 0.424 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001132253457 838350146 /nfs/dbraw/zinc/35/01/46/838350146.db2.gz UOVWVZOPQBGQQK-MNOVXSKESA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001132253457 838350150 /nfs/dbraw/zinc/35/01/50/838350150.db2.gz UOVWVZOPQBGQQK-MNOVXSKESA-N 1 2 299.802 0.974 20 30 CCEDLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001133021504 838535766 /nfs/dbraw/zinc/53/57/66/838535766.db2.gz PCBXXNTYVQBJCG-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001133375678 838613138 /nfs/dbraw/zinc/61/31/38/838613138.db2.gz DGTWZLLCOGLFKF-UHFFFAOYSA-N 1 2 293.371 0.061 20 30 CCEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001135074339 839151586 /nfs/dbraw/zinc/15/15/86/839151586.db2.gz MCOCASDUZZQWQJ-NWDGAFQWSA-N 1 2 277.372 0.749 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1CNCC#N ZINC001185379603 844406954 /nfs/dbraw/zinc/40/69/54/844406954.db2.gz DQRNARDVRJTRPG-NWDGAFQWSA-N 1 2 275.356 0.550 20 30 CCEDLO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135407832 839240984 /nfs/dbraw/zinc/24/09/84/839240984.db2.gz OAKYYVQVGJJIMJ-RKDXNWHRSA-N 1 2 252.293 0.669 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110367447 844452370 /nfs/dbraw/zinc/45/23/70/844452370.db2.gz IBAMYVWHSRJMID-UPJWGTAASA-N 1 2 290.367 0.314 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110367447 844452378 /nfs/dbraw/zinc/45/23/78/844452378.db2.gz IBAMYVWHSRJMID-UPJWGTAASA-N 1 2 290.367 0.314 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185833846 844464506 /nfs/dbraw/zinc/46/45/06/844464506.db2.gz NYWBDDVJTUYHLR-ZDUSSCGKSA-N 1 2 275.356 0.574 20 30 CCEDLO N#Cc1cncc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001144079475 839930637 /nfs/dbraw/zinc/93/06/37/839930637.db2.gz NAKIJOGUDAHHDD-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001144079475 839930643 /nfs/dbraw/zinc/93/06/43/839930643.db2.gz NAKIJOGUDAHHDD-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(C)o2)nc1 ZINC001148370213 840795163 /nfs/dbraw/zinc/79/51/63/840795163.db2.gz NNOVTBVFHBHDEV-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)nc1 ZINC001148377308 840796366 /nfs/dbraw/zinc/79/63/66/840796366.db2.gz WXXDDGJHSUTRBS-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@@H]3CCC=CO3)C2)OCC1=O ZINC001273444160 840926865 /nfs/dbraw/zinc/92/68/65/840926865.db2.gz VDUUTNNZIVRLFI-ZDUSSCGKSA-N 1 2 278.352 0.778 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001171363315 840952321 /nfs/dbraw/zinc/95/23/21/840952321.db2.gz YBMMXGVHKBVYRC-CPCISQLKSA-N 1 2 290.323 0.959 20 30 CCEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)[C@@H]3C[C@@H]3C#N)c12 ZINC001186969880 844628723 /nfs/dbraw/zinc/62/87/23/844628723.db2.gz UMZFPSSSEPMJNM-RNFRBKRXSA-N 1 2 285.263 0.843 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000715869775 841412286 /nfs/dbraw/zinc/41/22/86/841412286.db2.gz LDUSXXYANMHHCJ-JTQLQIEISA-N 1 2 251.334 0.641 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C)nn2)C1 ZINC001094270894 841576662 /nfs/dbraw/zinc/57/66/62/841576662.db2.gz JHEHFSNNKWMJFC-BXUZGUMPSA-N 1 2 289.383 0.983 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCNc1cncc(C#N)n1 ZINC001094301943 841603911 /nfs/dbraw/zinc/60/39/11/841603911.db2.gz MMBHBEIDKIJLMS-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001094472357 841643216 /nfs/dbraw/zinc/64/32/16/841643216.db2.gz ZNSZKPWSVCKSBT-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3(C)CC3)CC2=O)C1 ZINC001094738803 841717004 /nfs/dbraw/zinc/71/70/04/841717004.db2.gz OANPKFMOZKTIKH-LBPRGKRZSA-N 1 2 291.395 0.764 20 30 CCEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1noc(C(N)=O)n1 ZINC001172302195 841914898 /nfs/dbraw/zinc/91/48/98/841914898.db2.gz GCDFJJUCHGKURQ-SECBINFHSA-N 1 2 285.307 0.761 20 30 CCEDLO N#Cc1c(N)nn(-c2cccc(C[NH+]3CCOCC3)c2)c1N ZINC001175856550 842291934 /nfs/dbraw/zinc/29/19/34/842291934.db2.gz JORPDTNZGKECAL-UHFFFAOYSA-N 1 2 298.350 0.741 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1=CC(=O)CCC1 ZINC001176379931 842361133 /nfs/dbraw/zinc/36/11/33/842361133.db2.gz LMOHYJMGMAPPIV-CYBMUJFWSA-N 1 2 290.323 0.210 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1=CC(=O)CCC1 ZINC001176379931 842361145 /nfs/dbraw/zinc/36/11/45/842361145.db2.gz LMOHYJMGMAPPIV-CYBMUJFWSA-N 1 2 290.323 0.210 20 30 CCEDLO CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929854 842452793 /nfs/dbraw/zinc/45/27/93/842452793.db2.gz NLAOSSKIIKDIST-OLZOCXBDSA-N 1 2 297.424 0.955 20 30 CCEDLO CCC[N@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929854 842452805 /nfs/dbraw/zinc/45/28/05/842452805.db2.gz NLAOSSKIIKDIST-OLZOCXBDSA-N 1 2 297.424 0.955 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938540 842456309 /nfs/dbraw/zinc/45/63/09/842456309.db2.gz VPKXNOKGBBONIB-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938540 842456312 /nfs/dbraw/zinc/45/63/12/842456312.db2.gz VPKXNOKGBBONIB-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC=C)C[C@H]21 ZINC001176949696 842466146 /nfs/dbraw/zinc/46/61/46/842466146.db2.gz RHFRDODTHKHBEU-HUUCEWRRSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC=C)C[C@H]21 ZINC001176949696 842466153 /nfs/dbraw/zinc/46/61/53/842466153.db2.gz RHFRDODTHKHBEU-HUUCEWRRSA-N 1 2 292.379 0.514 20 30 CCEDLO C=CC[N@@H+](CCCN1CCOC1=O)CC(=O)OCC ZINC000690446654 842488740 /nfs/dbraw/zinc/48/87/40/842488740.db2.gz KMYOXIWYKXBVJJ-UHFFFAOYSA-N 1 2 270.329 0.880 20 30 CCEDLO C=CC[N@H+](CCCN1CCOC1=O)CC(=O)OCC ZINC000690446654 842488743 /nfs/dbraw/zinc/48/87/43/842488743.db2.gz KMYOXIWYKXBVJJ-UHFFFAOYSA-N 1 2 270.329 0.880 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001179902719 843087185 /nfs/dbraw/zinc/08/71/85/843087185.db2.gz RQAGBTCAVWQNQS-ONGXEEELSA-N 1 2 278.312 0.170 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N(CC#N)Cc2ccccc2)C1 ZINC001180759464 843282824 /nfs/dbraw/zinc/28/28/24/843282824.db2.gz OWUAWSGXZHWLTL-AWEZNQCLSA-N 1 2 273.336 0.869 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N(CC#N)Cc2ccccc2)C1 ZINC001180759464 843282832 /nfs/dbraw/zinc/28/28/32/843282832.db2.gz OWUAWSGXZHWLTL-AWEZNQCLSA-N 1 2 273.336 0.869 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COC(=O)[C@@H]2C)CC1 ZINC001182080812 843709612 /nfs/dbraw/zinc/70/96/12/843709612.db2.gz NWCKLMMGCQXIHX-MNOVXSKESA-N 1 2 252.314 0.126 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182215415 843756919 /nfs/dbraw/zinc/75/69/19/843756919.db2.gz TYZNYGGWEKSWCF-MFKMUULPSA-N 1 2 296.396 0.556 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182372214 843788062 /nfs/dbraw/zinc/78/80/62/843788062.db2.gz LAYLRQBKJTWAMS-GFCCVEGCSA-N 1 2 276.340 0.728 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182390077 843801691 /nfs/dbraw/zinc/80/16/91/843801691.db2.gz YIZFNTYHNWZLMA-LLVKDONJSA-N 1 2 278.381 0.888 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)OC2(C)C)CC1 ZINC001182752026 843901439 /nfs/dbraw/zinc/90/14/39/843901439.db2.gz ZERWQRSYYVYPHC-LLVKDONJSA-N 1 2 266.341 0.658 20 30 CCEDLO COCC#CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001187127780 844654871 /nfs/dbraw/zinc/65/48/71/844654871.db2.gz FQTUYIQIMUSVDO-GFCCVEGCSA-N 1 2 286.322 0.968 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191854322 845740823 /nfs/dbraw/zinc/74/08/23/845740823.db2.gz KYEWMYSXVKJYOG-FVQBIDKESA-N 1 2 297.358 0.359 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191854322 845740831 /nfs/dbraw/zinc/74/08/31/845740831.db2.gz KYEWMYSXVKJYOG-FVQBIDKESA-N 1 2 297.358 0.359 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001191855133 845742224 /nfs/dbraw/zinc/74/22/24/845742224.db2.gz XATZQNXBIIQRPF-IACUBPJLSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001191855133 845742228 /nfs/dbraw/zinc/74/22/28/845742228.db2.gz XATZQNXBIIQRPF-IACUBPJLSA-N 1 2 288.351 0.211 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001193002756 845953127 /nfs/dbraw/zinc/95/31/27/845953127.db2.gz NKMMFLRUPDOQNY-GFCCVEGCSA-N 1 2 280.353 0.099 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001193002756 845953134 /nfs/dbraw/zinc/95/31/34/845953134.db2.gz NKMMFLRUPDOQNY-GFCCVEGCSA-N 1 2 280.353 0.099 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001193344954 846058069 /nfs/dbraw/zinc/05/80/69/846058069.db2.gz JIQHQVPVUUZKTL-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001193344954 846058078 /nfs/dbraw/zinc/05/80/78/846058078.db2.gz JIQHQVPVUUZKTL-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)CO2 ZINC001273675221 846280918 /nfs/dbraw/zinc/28/09/18/846280918.db2.gz FRTQCJRZXDBSSN-CQSZACIVSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001194593915 846331364 /nfs/dbraw/zinc/33/13/64/846331364.db2.gz MWUILRNFSNKSQN-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001194593915 846331371 /nfs/dbraw/zinc/33/13/71/846331371.db2.gz MWUILRNFSNKSQN-ZIAGYGMSSA-N 1 2 278.396 0.997 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncn2CCOC)CC1 ZINC001194644069 846337362 /nfs/dbraw/zinc/33/73/62/846337362.db2.gz DDJZZUHYBWCKLV-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)OC)CO2 ZINC001273685732 846396552 /nfs/dbraw/zinc/39/65/52/846396552.db2.gz LUSBIRXZTSPIRZ-NWDGAFQWSA-N 1 2 268.357 0.557 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cscn2)CC1 ZINC001195209920 846482148 /nfs/dbraw/zinc/48/21/48/846482148.db2.gz JDULOYLLGONUKE-UHFFFAOYSA-N 1 2 293.392 0.941 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cscn2)CC1 ZINC001195209920 846482149 /nfs/dbraw/zinc/48/21/49/846482149.db2.gz JDULOYLLGONUKE-UHFFFAOYSA-N 1 2 293.392 0.941 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001195419011 846522002 /nfs/dbraw/zinc/52/20/02/846522002.db2.gz PNSHVMAKCREKAT-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001195419011 846522009 /nfs/dbraw/zinc/52/20/09/846522009.db2.gz PNSHVMAKCREKAT-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001273697747 846527797 /nfs/dbraw/zinc/52/77/97/846527797.db2.gz YMQVNLHGGPJHDH-ZIAGYGMSSA-N 1 2 292.379 0.560 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC001195459112 846535912 /nfs/dbraw/zinc/53/59/12/846535912.db2.gz DYISDBHEALFSMK-WLRTZDKTSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC001195459112 846535920 /nfs/dbraw/zinc/53/59/20/846535920.db2.gz DYISDBHEALFSMK-WLRTZDKTSA-N 1 2 279.384 0.789 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001195669011 846601571 /nfs/dbraw/zinc/60/15/71/846601571.db2.gz DSUJLVSZLXGYAS-QWRGUYRKSA-N 1 2 275.349 0.348 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001195669011 846601578 /nfs/dbraw/zinc/60/15/78/846601578.db2.gz DSUJLVSZLXGYAS-QWRGUYRKSA-N 1 2 275.349 0.348 20 30 CCEDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001197787812 846964537 /nfs/dbraw/zinc/96/45/37/846964537.db2.gz WUPJJBFSCBKLIG-NSHDSACASA-N 1 2 287.367 0.966 20 30 CCEDLO C[C@H]1Cc2n[nH]cc2C[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001197787812 846964544 /nfs/dbraw/zinc/96/45/44/846964544.db2.gz WUPJJBFSCBKLIG-NSHDSACASA-N 1 2 287.367 0.966 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001198599648 847136367 /nfs/dbraw/zinc/13/63/67/847136367.db2.gz JRIZJFVEBCEZOG-HUUCEWRRSA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001198599648 847136371 /nfs/dbraw/zinc/13/63/71/847136371.db2.gz JRIZJFVEBCEZOG-HUUCEWRRSA-N 1 2 288.347 0.168 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)N[C@H](C)C(=O)OCC)CC1 ZINC001199837948 847447666 /nfs/dbraw/zinc/44/76/66/847447666.db2.gz QTFWBGFPHQUEJN-LLVKDONJSA-N 1 2 285.413 0.616 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273889659 847743543 /nfs/dbraw/zinc/74/35/43/847743543.db2.gz AUWZRDPHWBIHPC-KWCYVHTRSA-N 1 2 288.338 0.764 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273889659 847743546 /nfs/dbraw/zinc/74/35/46/847743546.db2.gz AUWZRDPHWBIHPC-KWCYVHTRSA-N 1 2 288.338 0.764 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001153161091 847939742 /nfs/dbraw/zinc/93/97/42/847939742.db2.gz XAGWWMFAMMHKLW-GHMZBOCLSA-N 1 2 296.371 0.990 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCC(=O)OC)C2 ZINC001273965183 848005570 /nfs/dbraw/zinc/00/55/70/848005570.db2.gz DVFRUVRQTBXJKM-UHFFFAOYSA-N 1 2 282.340 0.039 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114353313 848023444 /nfs/dbraw/zinc/02/34/44/848023444.db2.gz PSSZTPWRUIEVLZ-IMRBUKKESA-N 1 2 276.340 0.972 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114353313 848023450 /nfs/dbraw/zinc/02/34/50/848023450.db2.gz PSSZTPWRUIEVLZ-IMRBUKKESA-N 1 2 276.340 0.972 20 30 CCEDLO CCOC(=O)[C@H]1CN(C)C(=O)C12CC[NH+](CCC#N)CC2 ZINC001274032558 848313030 /nfs/dbraw/zinc/31/30/30/848313030.db2.gz RXHVGGZQEFVPBJ-GFCCVEGCSA-N 1 2 293.367 0.634 20 30 CCEDLO CC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CCCCC#N)C2 ZINC001274043800 848318001 /nfs/dbraw/zinc/31/80/01/848318001.db2.gz UYUKQTSOIIIXBV-LBPRGKRZSA-N 1 2 293.367 0.571 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001110841009 848408805 /nfs/dbraw/zinc/40/88/05/848408805.db2.gz MQTWIPFCVRGMEZ-UPJWGTAASA-N 1 2 287.367 0.598 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001274467963 848484980 /nfs/dbraw/zinc/48/49/80/848484980.db2.gz NMVBOTUJZXKEAG-CQSZACIVSA-N 1 2 277.412 0.884 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001275099002 848637675 /nfs/dbraw/zinc/63/76/75/848637675.db2.gz MIFCUWCBEVRSLE-UWVGGRQHSA-N 1 2 282.344 0.736 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1CNCC#N ZINC001275806682 848830150 /nfs/dbraw/zinc/83/01/50/848830150.db2.gz PCRIANUQMVZXKO-GXTWGEPZSA-N 1 2 289.383 0.751 20 30 CCEDLO N#CCNC[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805598 848830308 /nfs/dbraw/zinc/83/03/08/848830308.db2.gz LCZYEAPAWYNXLO-VXGBXAGGSA-N 1 2 275.356 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001276075343 848917683 /nfs/dbraw/zinc/91/76/83/848917683.db2.gz FPGOLPTZXXQMMW-RYUDHWBXSA-N 1 2 252.358 0.772 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1CO ZINC000687624137 849130302 /nfs/dbraw/zinc/13/03/02/849130302.db2.gz DTBNTPWWLWGSHW-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1CO ZINC000687624137 849130308 /nfs/dbraw/zinc/13/03/08/849130308.db2.gz DTBNTPWWLWGSHW-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001037937457 849609801 /nfs/dbraw/zinc/60/98/01/849609801.db2.gz ZXBIRLBCHGRRHG-WCQYABFASA-N 1 2 275.356 0.692 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CC2)C1=O ZINC001037987660 849622756 /nfs/dbraw/zinc/62/27/56/849622756.db2.gz WMOGIVXSNJQTON-CHWSQXEVSA-N 1 2 277.368 0.374 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C2CC2)C1=O ZINC001037987660 849622759 /nfs/dbraw/zinc/62/27/59/849622759.db2.gz WMOGIVXSNJQTON-CHWSQXEVSA-N 1 2 277.368 0.374 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001015479308 849751383 /nfs/dbraw/zinc/75/13/83/849751383.db2.gz ARGOECMYERDMMK-BXUZGUMPSA-N 1 2 285.347 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001015479308 849751386 /nfs/dbraw/zinc/75/13/86/849751386.db2.gz ARGOECMYERDMMK-BXUZGUMPSA-N 1 2 285.347 0.346 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001038167337 849805305 /nfs/dbraw/zinc/80/53/05/849805305.db2.gz FVXWREWXEBSPMN-CYBMUJFWSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001038167337 849805315 /nfs/dbraw/zinc/80/53/15/849805315.db2.gz FVXWREWXEBSPMN-CYBMUJFWSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001038345002 849861625 /nfs/dbraw/zinc/86/16/25/849861625.db2.gz LNLHAJZBHFHIDQ-WFASDCNBSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001038345002 849861636 /nfs/dbraw/zinc/86/16/36/849861636.db2.gz LNLHAJZBHFHIDQ-WFASDCNBSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038385258 849873154 /nfs/dbraw/zinc/87/31/54/849873154.db2.gz HREVLKOQFJHUEE-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038385258 849873167 /nfs/dbraw/zinc/87/31/67/849873167.db2.gz HREVLKOQFJHUEE-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038401181 849879560 /nfs/dbraw/zinc/87/95/60/849879560.db2.gz OPWWKXVQBFKCMU-SECBINFHSA-N 1 2 280.278 0.852 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038401181 849879573 /nfs/dbraw/zinc/87/95/73/849879573.db2.gz OPWWKXVQBFKCMU-SECBINFHSA-N 1 2 280.278 0.852 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038420184 849889370 /nfs/dbraw/zinc/88/93/70/849889370.db2.gz YMIQKVXDPSDZPU-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038420184 849889377 /nfs/dbraw/zinc/88/93/77/849889377.db2.gz YMIQKVXDPSDZPU-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001038444439 849903563 /nfs/dbraw/zinc/90/35/63/849903563.db2.gz CFYXNICDAHXUBH-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001038444439 849903567 /nfs/dbraw/zinc/90/35/67/849903567.db2.gz CFYXNICDAHXUBH-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038456334 849909367 /nfs/dbraw/zinc/90/93/67/849909367.db2.gz JQRUTPJOGVDONE-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038456334 849909371 /nfs/dbraw/zinc/90/93/71/849909371.db2.gz JQRUTPJOGVDONE-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038459966 849911308 /nfs/dbraw/zinc/91/13/08/849911308.db2.gz DMDIGNNDUPFFMB-LBPRGKRZSA-N 1 2 288.351 0.493 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038459966 849911318 /nfs/dbraw/zinc/91/13/18/849911318.db2.gz DMDIGNNDUPFFMB-LBPRGKRZSA-N 1 2 288.351 0.493 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001038691417 849984902 /nfs/dbraw/zinc/98/49/02/849984902.db2.gz FYDNJTVHZRPPFF-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001038691417 849984907 /nfs/dbraw/zinc/98/49/07/849984907.db2.gz FYDNJTVHZRPPFF-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001038729855 849997259 /nfs/dbraw/zinc/99/72/59/849997259.db2.gz SYDXYRNJIAIPMR-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001038729855 849997263 /nfs/dbraw/zinc/99/72/63/849997263.db2.gz SYDXYRNJIAIPMR-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038775441 850011131 /nfs/dbraw/zinc/01/11/31/850011131.db2.gz ZAAVVOIBGRIYJM-ZDUSSCGKSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038775441 850011137 /nfs/dbraw/zinc/01/11/37/850011137.db2.gz ZAAVVOIBGRIYJM-ZDUSSCGKSA-N 1 2 270.336 0.791 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001038916553 850085295 /nfs/dbraw/zinc/08/52/95/850085295.db2.gz FSRROLIGQVPKFT-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001038916553 850085302 /nfs/dbraw/zinc/08/53/02/850085302.db2.gz FSRROLIGQVPKFT-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038950501 850099027 /nfs/dbraw/zinc/09/90/27/850099027.db2.gz PKVKADOMOBSLHM-SNVBAGLBSA-N 1 2 257.297 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038950501 850099035 /nfs/dbraw/zinc/09/90/35/850099035.db2.gz PKVKADOMOBSLHM-SNVBAGLBSA-N 1 2 257.297 0.100 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC ZINC001038959040 850099995 /nfs/dbraw/zinc/09/99/95/850099995.db2.gz WMZIJPXIFVDMOY-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC ZINC001038959040 850100007 /nfs/dbraw/zinc/10/00/07/850100007.db2.gz WMZIJPXIFVDMOY-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039039112 850132732 /nfs/dbraw/zinc/13/27/32/850132732.db2.gz LYBGSVBWRIYHLV-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039039112 850132733 /nfs/dbraw/zinc/13/27/33/850132733.db2.gz LYBGSVBWRIYHLV-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001039071155 850145493 /nfs/dbraw/zinc/14/54/93/850145493.db2.gz GGNWBZVBVYWXQU-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001039071155 850145500 /nfs/dbraw/zinc/14/55/00/850145500.db2.gz GGNWBZVBVYWXQU-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042638997 850720803 /nfs/dbraw/zinc/72/08/03/850720803.db2.gz YOIPSJVTEBHCNH-VIFPVBQESA-N 1 2 262.313 0.023 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(OC)ncn2)C1 ZINC001042730461 850748070 /nfs/dbraw/zinc/74/80/70/850748070.db2.gz FARXKNKBUYDUAK-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn3nnnc23)C1 ZINC001042787883 850758722 /nfs/dbraw/zinc/75/87/22/850758722.db2.gz OURCNLVXBUIZGQ-UHFFFAOYSA-N 1 2 286.339 0.457 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001042836435 850767319 /nfs/dbraw/zinc/76/73/19/850767319.db2.gz BVFIKKBJWGDIFH-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123235 850819074 /nfs/dbraw/zinc/81/90/74/850819074.db2.gz DHNNSIKLSFUWNP-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001043587370 850903645 /nfs/dbraw/zinc/90/36/45/850903645.db2.gz QCZCBHSZFZQFMT-UHFFFAOYSA-N 1 2 262.313 0.433 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095953082 850923014 /nfs/dbraw/zinc/92/30/14/850923014.db2.gz LHSAFBNUZLQTCE-RDBSUJKOSA-N 1 2 298.346 0.265 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001095953082 850923019 /nfs/dbraw/zinc/92/30/19/850923019.db2.gz LHSAFBNUZLQTCE-RDBSUJKOSA-N 1 2 298.346 0.265 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001043993891 850979515 /nfs/dbraw/zinc/97/95/15/850979515.db2.gz PWJWRMPALTYINN-CHWSQXEVSA-N 1 2 293.411 0.997 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001044021810 850987608 /nfs/dbraw/zinc/98/76/08/850987608.db2.gz ZQFZGKJSDSDEPY-NSHDSACASA-N 1 2 293.371 0.255 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001044337059 851080090 /nfs/dbraw/zinc/08/00/90/851080090.db2.gz ZYBIEBHDZVBWGU-UHFFFAOYSA-N 1 2 295.408 0.855 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046446273 851510973 /nfs/dbraw/zinc/51/09/73/851510973.db2.gz XRCVMCXITACHIS-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046446273 851510982 /nfs/dbraw/zinc/51/09/82/851510982.db2.gz XRCVMCXITACHIS-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046579347 851557108 /nfs/dbraw/zinc/55/71/08/851557108.db2.gz LEZHRPNGBUZUMD-ZDUSSCGKSA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046579347 851557115 /nfs/dbraw/zinc/55/71/15/851557115.db2.gz LEZHRPNGBUZUMD-ZDUSSCGKSA-N 1 2 296.758 0.717 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2C)C1 ZINC001047373523 851742995 /nfs/dbraw/zinc/74/29/95/851742995.db2.gz ZLXIMNDIJOHKDE-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2C)C1 ZINC001047373523 851742998 /nfs/dbraw/zinc/74/29/98/851742998.db2.gz ZLXIMNDIJOHKDE-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001047464566 851773250 /nfs/dbraw/zinc/77/32/50/851773250.db2.gz BWDIEEABBVZSPR-KBPBESRZSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001047464566 851773253 /nfs/dbraw/zinc/77/32/53/851773253.db2.gz BWDIEEABBVZSPR-KBPBESRZSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001096199947 851794368 /nfs/dbraw/zinc/79/43/68/851794368.db2.gz PBVFMEQBILEUAP-VWYCJHECSA-N 1 2 259.313 0.163 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2 ZINC001096199947 851794374 /nfs/dbraw/zinc/79/43/74/851794374.db2.gz PBVFMEQBILEUAP-VWYCJHECSA-N 1 2 259.313 0.163 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001048908678 852105608 /nfs/dbraw/zinc/10/56/08/852105608.db2.gz UIRCHIVBARZKQR-MELADBBJSA-N 1 2 299.378 0.359 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096652511 852420136 /nfs/dbraw/zinc/42/01/36/852420136.db2.gz PKVABIIGWLNVLZ-WOPDTQHZSA-N 1 2 259.313 0.128 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053436779 852744509 /nfs/dbraw/zinc/74/45/09/852744509.db2.gz CZPYORDLJDTTLY-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccn1)CO2 ZINC001053722558 852788667 /nfs/dbraw/zinc/78/86/67/852788667.db2.gz TYRROSCCHDBZEI-CYBMUJFWSA-N 1 2 285.347 0.678 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1C)CO2 ZINC001053756141 852806396 /nfs/dbraw/zinc/80/63/96/852806396.db2.gz PNJSKIPDIYAIPM-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)c[nH]1)CO2 ZINC001053873864 852836879 /nfs/dbraw/zinc/83/68/79/852836879.db2.gz LKHXZQNFCPHVQY-GFCCVEGCSA-N 1 2 291.326 0.750 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](CCOC)C3)C2)C1 ZINC001053916589 852845131 /nfs/dbraw/zinc/84/51/31/852845131.db2.gz NKEPXXYIHQWSOG-CYBMUJFWSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)CO2 ZINC001053931990 852848462 /nfs/dbraw/zinc/84/84/62/852848462.db2.gz IOHIUOHDFMNOQZ-MGPQQGTHSA-N 1 2 292.379 0.537 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053930297 852850017 /nfs/dbraw/zinc/85/00/17/852850017.db2.gz BMJHTDCAXSMSBN-UPJWGTAASA-N 1 2 280.368 0.557 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001097921628 852870479 /nfs/dbraw/zinc/87/04/79/852870479.db2.gz KQXKQTMRSQEMNR-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO Cc1cc(N[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001098006898 853124035 /nfs/dbraw/zinc/12/40/35/853124035.db2.gz OZPLDNLDKMWWMC-NSHDSACASA-N 1 2 298.350 0.566 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971112 853496520 /nfs/dbraw/zinc/49/65/20/853496520.db2.gz BDRIUYBWZQACEY-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971112 853496527 /nfs/dbraw/zinc/49/65/27/853496527.db2.gz BDRIUYBWZQACEY-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050980286 853500599 /nfs/dbraw/zinc/50/05/99/853500599.db2.gz QKRMEXSSJNAACD-CYBMUJFWSA-N 1 2 298.346 0.627 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001051494201 853597265 /nfs/dbraw/zinc/59/72/65/853597265.db2.gz FQPYDPNSFJIGAM-GXSJLCMTSA-N 1 2 295.368 0.015 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnco2)[C@@H](n2ccnn2)C1 ZINC001069991657 854014235 /nfs/dbraw/zinc/01/42/35/854014235.db2.gz SBVZPHVAKUQDAX-MNOVXSKESA-N 1 2 288.311 0.107 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnco2)[C@@H](n2ccnn2)C1 ZINC001069991657 854014244 /nfs/dbraw/zinc/01/42/44/854014244.db2.gz SBVZPHVAKUQDAX-MNOVXSKESA-N 1 2 288.311 0.107 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071804207 854296514 /nfs/dbraw/zinc/29/65/14/854296514.db2.gz YIEHTJXVUGQJOM-GHMZBOCLSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071804207 854296521 /nfs/dbraw/zinc/29/65/21/854296521.db2.gz YIEHTJXVUGQJOM-GHMZBOCLSA-N 1 2 278.356 0.894 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)CC[C@H]1C ZINC001072053875 854342293 /nfs/dbraw/zinc/34/22/93/854342293.db2.gz VWAFTRDTUZUSLM-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)CC[C@H]1C ZINC001072053875 854342303 /nfs/dbraw/zinc/34/23/03/854342303.db2.gz VWAFTRDTUZUSLM-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074118596 854674377 /nfs/dbraw/zinc/67/43/77/854674377.db2.gz JWTHLXICIMGOKG-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001074118596 854674384 /nfs/dbraw/zinc/67/43/84/854674384.db2.gz JWTHLXICIMGOKG-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)n1 ZINC001074568780 854749905 /nfs/dbraw/zinc/74/99/05/854749905.db2.gz XPQYQYVLTMYPMW-VWYCJHECSA-N 1 2 291.355 0.871 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001098147821 854766032 /nfs/dbraw/zinc/76/60/32/854766032.db2.gz FOQQEVWGWMGNRC-BNOWGMLFSA-N 1 2 285.347 0.652 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001098147821 854766036 /nfs/dbraw/zinc/76/60/36/854766036.db2.gz FOQQEVWGWMGNRC-BNOWGMLFSA-N 1 2 285.347 0.652 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C3CCC3)C2)nn1 ZINC001098653567 854873120 /nfs/dbraw/zinc/87/31/20/854873120.db2.gz VHISRBBAMROLFJ-OAHLLOKOSA-N 1 2 299.378 0.885 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099811940 855000983 /nfs/dbraw/zinc/00/09/83/855000983.db2.gz AGOCYMPNNXOVKN-QWHCGFSZSA-N 1 2 282.771 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099811940 855000993 /nfs/dbraw/zinc/00/09/93/855000993.db2.gz AGOCYMPNNXOVKN-QWHCGFSZSA-N 1 2 282.771 0.704 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC001100251064 855129619 /nfs/dbraw/zinc/12/96/19/855129619.db2.gz ZKFBMNBGECIKGY-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100620662 855198817 /nfs/dbraw/zinc/19/88/17/855198817.db2.gz SWPGREGTPGWXME-GFCCVEGCSA-N 1 2 290.367 0.766 20 30 CCEDLO C[C@@H](CC(=O)NCC1CC(NCC#N)C1)n1cc[nH+]c1 ZINC001100715235 855212817 /nfs/dbraw/zinc/21/28/17/855212817.db2.gz FYJKXRYQPNRNSI-HIFPTAJRSA-N 1 2 275.356 0.842 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406566 855434087 /nfs/dbraw/zinc/43/40/87/855434087.db2.gz ZGNWCPMAZLACMB-GHMZBOCLSA-N 1 2 261.329 0.160 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001115766567 855695005 /nfs/dbraw/zinc/69/50/05/855695005.db2.gz LCJYCWGLFXESMH-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)Cn2nccc21 ZINC001119317562 856629051 /nfs/dbraw/zinc/62/90/51/856629051.db2.gz JPTVGOYZJDFDSB-QWRGUYRKSA-N 1 2 292.339 0.312 20 30 CCEDLO C=CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)C(=O)OC ZINC001119559340 856738465 /nfs/dbraw/zinc/73/84/65/856738465.db2.gz IJVACIFGDVENPO-JTQLQIEISA-N 1 2 261.343 0.128 20 30 CCEDLO C#CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001119699359 856842777 /nfs/dbraw/zinc/84/27/77/856842777.db2.gz OUOQDWFPTOPGGS-UHFFFAOYSA-N 1 2 261.325 0.949 20 30 CCEDLO C=CCCn1cc(C[NH2+]Cc2cnc3n2CCOC3)nn1 ZINC001120354645 857042663 /nfs/dbraw/zinc/04/26/63/857042663.db2.gz YLHHASHOGAHWHW-UHFFFAOYSA-N 1 2 288.355 0.871 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001323895680 912568540 /nfs/dbraw/zinc/56/85/40/912568540.db2.gz NCKIUNSSQNBXSV-GFCCVEGCSA-N 1 2 268.357 0.368 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324609677 912936294 /nfs/dbraw/zinc/93/62/94/912936294.db2.gz ZHYZBSOJBQARHR-HNNXBMFYSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324609677 912936305 /nfs/dbraw/zinc/93/63/05/912936305.db2.gz ZHYZBSOJBQARHR-HNNXBMFYSA-N 1 2 290.367 0.010 20 30 CCEDLO N#CCCCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001324741377 913008431 /nfs/dbraw/zinc/00/84/31/913008431.db2.gz GMKYSEITXMCZCY-LBPRGKRZSA-N 1 2 280.372 0.526 20 30 CCEDLO N#CCCCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001324741377 913008449 /nfs/dbraw/zinc/00/84/49/913008449.db2.gz GMKYSEITXMCZCY-LBPRGKRZSA-N 1 2 280.372 0.526 20 30 CCEDLO C=C[C@H](COC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001324913296 913097419 /nfs/dbraw/zinc/09/74/19/913097419.db2.gz WBDARQCIWRBJBW-OCCSQVGLSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@H](COC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001324913296 913097434 /nfs/dbraw/zinc/09/74/34/913097434.db2.gz WBDARQCIWRBJBW-OCCSQVGLSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001394250650 913099790 /nfs/dbraw/zinc/09/97/90/913099790.db2.gz SCTJEMNGBLKCEK-VIFPVBQESA-N 1 2 283.763 0.536 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cn2cnc(C(=O)OC)n2)C1 ZINC001325206634 913279163 /nfs/dbraw/zinc/27/91/63/913279163.db2.gz WKPXFXYCZWZOAC-SNVBAGLBSA-N 1 2 266.301 0.299 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cn2cnc(C(=O)OC)n2)C1 ZINC001325206634 913279177 /nfs/dbraw/zinc/27/91/77/913279177.db2.gz WKPXFXYCZWZOAC-SNVBAGLBSA-N 1 2 266.301 0.299 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001325309282 913335439 /nfs/dbraw/zinc/33/54/39/913335439.db2.gz WZCPKOGEHUJKDO-KBPBESRZSA-N 1 2 294.395 0.520 20 30 CCEDLO C=C[C@@H](COC)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325588242 913478800 /nfs/dbraw/zinc/47/88/00/913478800.db2.gz UOVLAMQPNNHFQI-ZDUSSCGKSA-N 1 2 291.351 0.632 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)CC ZINC001480899761 891717666 /nfs/dbraw/zinc/71/76/66/891717666.db2.gz SERHZLODZJKUFX-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N(C)CC ZINC001480899761 891717672 /nfs/dbraw/zinc/71/76/72/891717672.db2.gz SERHZLODZJKUFX-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001283606966 891945796 /nfs/dbraw/zinc/94/57/96/891945796.db2.gz YFOCGYNKXKCSAT-GXFFZTMASA-N 1 2 298.412 0.802 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC001325998871 913686026 /nfs/dbraw/zinc/68/60/26/913686026.db2.gz DXLDZTYDWPKVDW-AWEZNQCLSA-N 1 2 291.355 0.723 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CC12CCC2 ZINC001481473376 892718636 /nfs/dbraw/zinc/71/86/36/892718636.db2.gz WNKOLLAEJUJFMX-AWEZNQCLSA-N 1 2 290.411 0.776 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001481525323 892770232 /nfs/dbraw/zinc/77/02/32/892770232.db2.gz SQTSPJJSIQIXIG-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001481525323 892770242 /nfs/dbraw/zinc/77/02/42/892770242.db2.gz SQTSPJJSIQIXIG-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCC(CC=C)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481627749 892925801 /nfs/dbraw/zinc/92/58/01/892925801.db2.gz XVFGSQLWPTWXOX-NSHDSACASA-N 1 2 279.384 0.677 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001481664151 892981521 /nfs/dbraw/zinc/98/15/21/892981521.db2.gz UJNZTRHQCIGWOQ-STQMWFEESA-N 1 2 250.342 0.577 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001481664151 892981538 /nfs/dbraw/zinc/98/15/38/892981538.db2.gz UJNZTRHQCIGWOQ-STQMWFEESA-N 1 2 250.342 0.577 20 30 CCEDLO C[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051767 913720127 /nfs/dbraw/zinc/72/01/27/913720127.db2.gz XHRFUKRNMKKUFL-QWRGUYRKSA-N 1 2 260.359 0.018 20 30 CCEDLO C[C@@H](C[N@H+]1CC[C@@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051767 913720139 /nfs/dbraw/zinc/72/01/39/913720139.db2.gz XHRFUKRNMKKUFL-QWRGUYRKSA-N 1 2 260.359 0.018 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001481686418 893004652 /nfs/dbraw/zinc/00/46/52/893004652.db2.gz SITBITGUEXHQJA-LBPRGKRZSA-N 1 2 278.356 0.313 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001481686418 893004676 /nfs/dbraw/zinc/00/46/76/893004676.db2.gz SITBITGUEXHQJA-LBPRGKRZSA-N 1 2 278.356 0.313 20 30 CCEDLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CNCC#N ZINC001496479638 893099733 /nfs/dbraw/zinc/09/97/33/893099733.db2.gz IFLBTHUGPKLYNK-YPMHNXCESA-N 1 2 275.356 0.692 20 30 CCEDLO N#CCNCCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001482005111 893302394 /nfs/dbraw/zinc/30/23/94/893302394.db2.gz BPLJMIQOFJGSQA-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(C)on2)C1 ZINC001482184194 893472532 /nfs/dbraw/zinc/47/25/32/893472532.db2.gz KXFMGWABAMJRON-CYBMUJFWSA-N 1 2 279.340 0.529 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2cc(C)on2)C1 ZINC001482184194 893472546 /nfs/dbraw/zinc/47/25/46/893472546.db2.gz KXFMGWABAMJRON-CYBMUJFWSA-N 1 2 279.340 0.529 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001482193713 893493013 /nfs/dbraw/zinc/49/30/13/893493013.db2.gz YTRNBMCQRJGBPG-AWEZNQCLSA-N 1 2 293.367 0.648 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001482193713 893493018 /nfs/dbraw/zinc/49/30/18/893493018.db2.gz YTRNBMCQRJGBPG-AWEZNQCLSA-N 1 2 293.367 0.648 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@@H]1C)C(C)C ZINC001284527827 893605505 /nfs/dbraw/zinc/60/55/05/893605505.db2.gz QFEGDRRADCFVQW-UONOGXRCSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@@H]1C)C(C)C ZINC001284527827 893605513 /nfs/dbraw/zinc/60/55/13/893605513.db2.gz QFEGDRRADCFVQW-UONOGXRCSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001483128206 894975563 /nfs/dbraw/zinc/97/55/63/894975563.db2.gz XDUBWNLGMDZTFZ-NXEZZACHSA-N 1 2 280.328 0.011 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001483168173 895056929 /nfs/dbraw/zinc/05/69/29/895056929.db2.gz RCFFGNPLOAXJOE-JLLWLGSASA-N 1 2 296.396 0.724 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483403042 895543609 /nfs/dbraw/zinc/54/36/09/895543609.db2.gz YCVXSHBOUBVCRC-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483403042 895543615 /nfs/dbraw/zinc/54/36/15/895543615.db2.gz YCVXSHBOUBVCRC-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001483636515 895764660 /nfs/dbraw/zinc/76/46/60/895764660.db2.gz LXDQZXFIMBBOKI-CYBMUJFWSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001483636515 895764666 /nfs/dbraw/zinc/76/46/66/895764666.db2.gz LXDQZXFIMBBOKI-CYBMUJFWSA-N 1 2 279.384 0.766 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001483639455 895773530 /nfs/dbraw/zinc/77/35/30/895773530.db2.gz AVIDBUTTYUPXNS-LBPRGKRZSA-N 1 2 286.322 0.872 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001483639455 895773543 /nfs/dbraw/zinc/77/35/43/895773543.db2.gz AVIDBUTTYUPXNS-LBPRGKRZSA-N 1 2 286.322 0.872 20 30 CCEDLO C#CCOCCC(=O)NCC1([NH2+]Cc2ncc(C)o2)CC1 ZINC001483733243 895937084 /nfs/dbraw/zinc/93/70/84/895937084.db2.gz WLILUAMXSXKACT-UHFFFAOYSA-N 1 2 291.351 0.761 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484054301 896176051 /nfs/dbraw/zinc/17/60/51/896176051.db2.gz NPEJATYUIFTVSH-RISCZKNCSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484054301 896176064 /nfs/dbraw/zinc/17/60/64/896176064.db2.gz NPEJATYUIFTVSH-RISCZKNCSA-N 1 2 283.347 0.065 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484061694 896178423 /nfs/dbraw/zinc/17/84/23/896178423.db2.gz WSSOBLIBYFRTNH-WFASDCNBSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484061694 896178429 /nfs/dbraw/zinc/17/84/29/896178429.db2.gz WSSOBLIBYFRTNH-WFASDCNBSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](CC(=O)N[C@]1(C)CCN(CC#N)C1)n1cc[nH+]c1 ZINC001484061905 896179184 /nfs/dbraw/zinc/17/91/84/896179184.db2.gz YJDZCZNATLZSKC-GXTWGEPZSA-N 1 2 275.356 0.938 20 30 CCEDLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001484273354 896300885 /nfs/dbraw/zinc/30/08/85/896300885.db2.gz ZZVCPXOVCWDREF-LBPRGKRZSA-N 1 2 284.375 0.947 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)CCCC)C1 ZINC001484271661 896307796 /nfs/dbraw/zinc/30/77/96/896307796.db2.gz RIDHGGIIXCWRCV-CYBMUJFWSA-N 1 2 266.385 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001484280293 896314607 /nfs/dbraw/zinc/31/46/07/896314607.db2.gz SBMFPPRSRMBRKJ-UHFFFAOYSA-N 1 2 293.342 0.502 20 30 CCEDLO CC#CCN1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484279852 896317290 /nfs/dbraw/zinc/31/72/90/896317290.db2.gz NGJHIKKPRIYSDE-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H](C)OC ZINC001326629792 914062334 /nfs/dbraw/zinc/06/23/34/914062334.db2.gz VVWNGMBQTBSEDT-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H](C)OC ZINC001326629792 914062353 /nfs/dbraw/zinc/06/23/53/914062353.db2.gz VVWNGMBQTBSEDT-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001484601414 896488864 /nfs/dbraw/zinc/48/88/64/896488864.db2.gz TWCMXCXMNCQHHN-LBPRGKRZSA-N 1 2 293.371 0.510 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001484601414 896488867 /nfs/dbraw/zinc/48/88/67/896488867.db2.gz TWCMXCXMNCQHHN-LBPRGKRZSA-N 1 2 293.371 0.510 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001484603483 896492186 /nfs/dbraw/zinc/49/21/86/896492186.db2.gz NDKTWIPWYYYDHO-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001484603483 896492192 /nfs/dbraw/zinc/49/21/92/896492192.db2.gz NDKTWIPWYYYDHO-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CNC(=O)CC)cc2C1 ZINC001484873212 896642324 /nfs/dbraw/zinc/64/23/24/896642324.db2.gz KCLLIYPEUGZBFW-UHFFFAOYSA-N 1 2 299.374 0.778 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CNC(=O)CC)cc2C1 ZINC001484873212 896642332 /nfs/dbraw/zinc/64/23/32/896642332.db2.gz KCLLIYPEUGZBFW-UHFFFAOYSA-N 1 2 299.374 0.778 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001485410743 897030713 /nfs/dbraw/zinc/03/07/13/897030713.db2.gz WSPPSSOLJAHENQ-ZDUSSCGKSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)C2CC2)C1 ZINC001485401898 897035297 /nfs/dbraw/zinc/03/52/97/897035297.db2.gz VHRNFUAKIAJPNP-GFCCVEGCSA-N 1 2 264.369 0.609 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)SC)C1 ZINC001485491204 897079351 /nfs/dbraw/zinc/07/93/51/897079351.db2.gz QJEKNPNXUIOXJY-MNOVXSKESA-N 1 2 299.440 0.477 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001107855102 897370320 /nfs/dbraw/zinc/37/03/20/897370320.db2.gz QNOJWBIBOFGWBQ-CQSZACIVSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001107855102 897370330 /nfs/dbraw/zinc/37/03/30/897370330.db2.gz QNOJWBIBOFGWBQ-CQSZACIVSA-N 1 2 293.371 0.130 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001077740526 897382785 /nfs/dbraw/zinc/38/27/85/897382785.db2.gz RKAXOVMIUPZGSF-BRWVUGGUSA-N 1 2 298.386 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001077740526 897382803 /nfs/dbraw/zinc/38/28/03/897382803.db2.gz RKAXOVMIUPZGSF-BRWVUGGUSA-N 1 2 298.386 0.586 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107889008 897441452 /nfs/dbraw/zinc/44/14/52/897441452.db2.gz YBMXAKWUQXERPG-AWEZNQCLSA-N 1 2 293.371 0.009 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107889008 897441458 /nfs/dbraw/zinc/44/14/58/897441458.db2.gz YBMXAKWUQXERPG-AWEZNQCLSA-N 1 2 293.371 0.009 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107889789 897443629 /nfs/dbraw/zinc/44/36/29/897443629.db2.gz DIMKQCFIIAYDKL-MRXNPFEDSA-N 1 2 292.379 0.564 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107889789 897443643 /nfs/dbraw/zinc/44/36/43/897443643.db2.gz DIMKQCFIIAYDKL-MRXNPFEDSA-N 1 2 292.379 0.564 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908025 897485629 /nfs/dbraw/zinc/48/56/29/897485629.db2.gz FWFNFGKRSSVLQF-UKRRQHHQSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908025 897485635 /nfs/dbraw/zinc/48/56/35/897485635.db2.gz FWFNFGKRSSVLQF-UKRRQHHQSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107914488 897495654 /nfs/dbraw/zinc/49/56/54/897495654.db2.gz PLWLNVVWARLWRW-OCCSQVGLSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107914488 897495661 /nfs/dbraw/zinc/49/56/61/897495661.db2.gz PLWLNVVWARLWRW-OCCSQVGLSA-N 1 2 270.373 0.396 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccn(C)n1 ZINC001032429372 897550912 /nfs/dbraw/zinc/55/09/12/897550912.db2.gz QGZNDRZRVCHSRG-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccn(C)n1 ZINC001032429372 897550937 /nfs/dbraw/zinc/55/09/37/897550937.db2.gz QGZNDRZRVCHSRG-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032482566 897633224 /nfs/dbraw/zinc/63/32/24/897633224.db2.gz CTEUBBLTZFMYLG-AVGNSLFASA-N 1 2 285.351 0.254 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ncco3)C2)OCC1=O ZINC001272801005 897691148 /nfs/dbraw/zinc/69/11/48/897691148.db2.gz DZELBEXMBQZVGQ-CQSZACIVSA-N 1 2 277.324 0.664 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ncco3)C2)OCC1=O ZINC001272801005 897691160 /nfs/dbraw/zinc/69/11/60/897691160.db2.gz DZELBEXMBQZVGQ-CQSZACIVSA-N 1 2 277.324 0.664 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001032528395 897704869 /nfs/dbraw/zinc/70/48/69/897704869.db2.gz QVDGRMRYUVZOJF-RDBSUJKOSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001032528395 897704878 /nfs/dbraw/zinc/70/48/78/897704878.db2.gz QVDGRMRYUVZOJF-RDBSUJKOSA-N 1 2 299.378 0.149 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C)C1=O ZINC001032563194 897749588 /nfs/dbraw/zinc/74/95/88/897749588.db2.gz QSLRXUDMIDCDFZ-AVGNSLFASA-N 1 2 291.395 0.714 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C)C1=O ZINC001032563194 897749595 /nfs/dbraw/zinc/74/95/95/897749595.db2.gz QSLRXUDMIDCDFZ-AVGNSLFASA-N 1 2 291.395 0.714 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc[nH]c1=O ZINC001032579831 897769459 /nfs/dbraw/zinc/76/94/59/897769459.db2.gz AVUYOAGBNFWSDU-RYUDHWBXSA-N 1 2 286.335 0.413 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc[nH]c1=O ZINC001032579831 897769467 /nfs/dbraw/zinc/76/94/67/897769467.db2.gz AVUYOAGBNFWSDU-RYUDHWBXSA-N 1 2 286.335 0.413 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1F ZINC001032612109 897825513 /nfs/dbraw/zinc/82/55/13/897825513.db2.gz ZWBUHWHQDPIPGH-UWVGGRQHSA-N 1 2 262.288 0.471 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1F ZINC001032612109 897825520 /nfs/dbraw/zinc/82/55/20/897825520.db2.gz ZWBUHWHQDPIPGH-UWVGGRQHSA-N 1 2 262.288 0.471 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001032667845 897918393 /nfs/dbraw/zinc/91/83/93/897918393.db2.gz MCEMZOOCZLTJNV-IHRRRGAJSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001032667845 897918405 /nfs/dbraw/zinc/91/84/05/897918405.db2.gz MCEMZOOCZLTJNV-IHRRRGAJSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nncn2c1 ZINC001032681379 897930420 /nfs/dbraw/zinc/93/04/20/897930420.db2.gz UMJFAOABOMCXLL-STQMWFEESA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nncn2c1 ZINC001032681379 897930437 /nfs/dbraw/zinc/93/04/37/897930437.db2.gz UMJFAOABOMCXLL-STQMWFEESA-N 1 2 281.319 0.261 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001032730352 898026486 /nfs/dbraw/zinc/02/64/86/898026486.db2.gz BKEFEBYCZURUNS-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001032730352 898026497 /nfs/dbraw/zinc/02/64/97/898026497.db2.gz BKEFEBYCZURUNS-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001032730352 898026509 /nfs/dbraw/zinc/02/65/09/898026509.db2.gz BKEFEBYCZURUNS-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001032730352 898026521 /nfs/dbraw/zinc/02/65/21/898026521.db2.gz BKEFEBYCZURUNS-AVGNSLFASA-N 1 2 299.378 0.218 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nn1 ZINC001032735850 898042458 /nfs/dbraw/zinc/04/24/58/898042458.db2.gz HJASMOYCDSYCIV-RYUDHWBXSA-N 1 2 285.351 0.075 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nn1 ZINC001032735850 898042474 /nfs/dbraw/zinc/04/24/74/898042474.db2.gz HJASMOYCDSYCIV-RYUDHWBXSA-N 1 2 285.351 0.075 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccc(C)nc12 ZINC001032737647 898045302 /nfs/dbraw/zinc/04/53/02/898045302.db2.gz YTJJTUAXNDKZMW-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccc(C)nc12 ZINC001032737647 898045307 /nfs/dbraw/zinc/04/53/07/898045307.db2.gz YTJJTUAXNDKZMW-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001077966681 898119087 /nfs/dbraw/zinc/11/90/87/898119087.db2.gz CGLJEXGAIKTSLL-DGCLKSJQSA-N 1 2 289.335 0.350 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001077966681 898119090 /nfs/dbraw/zinc/11/90/90/898119090.db2.gz CGLJEXGAIKTSLL-DGCLKSJQSA-N 1 2 289.335 0.350 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001397485049 914230074 /nfs/dbraw/zinc/23/00/74/914230074.db2.gz JVOMHCOXNOGDQF-UWVGGRQHSA-N 1 2 299.334 0.957 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001078106625 898237593 /nfs/dbraw/zinc/23/75/93/898237593.db2.gz GLUBEBJXKZHRJM-ZIAGYGMSSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001078106625 898237609 /nfs/dbraw/zinc/23/76/09/898237609.db2.gz GLUBEBJXKZHRJM-ZIAGYGMSSA-N 1 2 288.347 0.493 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001494358008 899086374 /nfs/dbraw/zinc/08/63/74/899086374.db2.gz DVUUALWKFLMTMS-OAHLLOKOSA-N 1 2 290.363 0.723 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001488676051 900344783 /nfs/dbraw/zinc/34/47/83/900344783.db2.gz ZKKFVSSTNUBUCS-UONOGXRCSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001488676051 900344796 /nfs/dbraw/zinc/34/47/96/900344796.db2.gz ZKKFVSSTNUBUCS-UONOGXRCSA-N 1 2 299.390 0.960 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@@H](NCC#N)C1 ZINC001488754316 900368783 /nfs/dbraw/zinc/36/87/83/900368783.db2.gz OZEHPZISAPPGAQ-TXEJJXNPSA-N 1 2 275.356 0.361 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001490426710 900628678 /nfs/dbraw/zinc/62/86/78/900628678.db2.gz BOPGOHSBRPKWQD-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001490426710 900628682 /nfs/dbraw/zinc/62/86/82/900628682.db2.gz BOPGOHSBRPKWQD-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C/C(=C/C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CC1 ZINC001490484568 900636328 /nfs/dbraw/zinc/63/63/28/900636328.db2.gz JZIPXTGAFQRIDM-SEYXRHQNSA-N 1 2 276.384 0.600 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C1(CCF)CC1 ZINC001320029272 900912465 /nfs/dbraw/zinc/91/24/65/900912465.db2.gz VSQPWBMZNZSEHB-UHFFFAOYSA-N 1 2 298.362 0.156 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C1(CCF)CC1 ZINC001320029272 900912471 /nfs/dbraw/zinc/91/24/71/900912471.db2.gz VSQPWBMZNZSEHB-UHFFFAOYSA-N 1 2 298.362 0.156 20 30 CCEDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCCCC#N ZINC001327662043 914685804 /nfs/dbraw/zinc/68/58/04/914685804.db2.gz KIUDANFEPBEZRT-NSHDSACASA-N 1 2 267.329 0.434 20 30 CCEDLO Cn1cc([C@@H](CO)[NH2+]Cc2cccc(C#N)n2)cn1 ZINC001330619020 903898115 /nfs/dbraw/zinc/89/81/15/903898115.db2.gz NAVRSHMJACQJQT-CYBMUJFWSA-N 1 2 257.297 0.510 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001280932792 904176879 /nfs/dbraw/zinc/17/68/79/904176879.db2.gz AJWIUPBNZFWOQR-OLZOCXBDSA-N 1 2 298.383 0.183 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001281042740 904205832 /nfs/dbraw/zinc/20/58/32/904205832.db2.gz QKZFGGNMSCGMIM-GFCCVEGCSA-N 1 2 290.367 0.575 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)CC ZINC001316610892 904283826 /nfs/dbraw/zinc/28/38/26/904283826.db2.gz MBQNVQFVZFJKTR-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)CC ZINC001316610892 904283832 /nfs/dbraw/zinc/28/38/32/904283832.db2.gz MBQNVQFVZFJKTR-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCC(=C)C)C1 ZINC001282517882 904498041 /nfs/dbraw/zinc/49/80/41/904498041.db2.gz CMOJAVJZGIBOCS-UHFFFAOYSA-N 1 2 264.369 0.919 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001282522308 904500780 /nfs/dbraw/zinc/50/07/80/904500780.db2.gz BBHGIKANFTVBTJ-RRFJBIMHSA-N 1 2 290.407 0.999 20 30 CCEDLO N#CCN1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681466 904519155 /nfs/dbraw/zinc/51/91/55/904519155.db2.gz IMEMRXVEWVVOJM-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283205486 904755159 /nfs/dbraw/zinc/75/51/59/904755159.db2.gz XPFDXXVSRFHJAU-STQMWFEESA-N 1 2 289.383 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)[C@H]1C ZINC001284121763 905153677 /nfs/dbraw/zinc/15/36/77/905153677.db2.gz LNLOOLXMQOUBQZ-NXEZZACHSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)[C@H]1C ZINC001284121763 905153686 /nfs/dbraw/zinc/15/36/86/905153686.db2.gz LNLOOLXMQOUBQZ-NXEZZACHSA-N 1 2 273.764 0.583 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)C#CC1CC1 ZINC001284265034 905226635 /nfs/dbraw/zinc/22/66/35/905226635.db2.gz LFTRIPZPKPFOGS-LLVKDONJSA-N 1 2 288.351 0.377 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)C#CC1CC1 ZINC001284265034 905226651 /nfs/dbraw/zinc/22/66/51/905226651.db2.gz LFTRIPZPKPFOGS-LLVKDONJSA-N 1 2 288.351 0.377 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001378172931 905472694 /nfs/dbraw/zinc/47/26/94/905472694.db2.gz BIIPMLMFEUIUFC-NSHDSACASA-N 1 2 298.778 0.348 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001378172931 905472706 /nfs/dbraw/zinc/47/27/06/905472706.db2.gz BIIPMLMFEUIUFC-NSHDSACASA-N 1 2 298.778 0.348 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285578156 905677289 /nfs/dbraw/zinc/67/72/89/905677289.db2.gz VYLKSUHYHVZXME-KXMPLOMGSA-N 1 2 289.339 0.291 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285578156 905677302 /nfs/dbraw/zinc/67/73/02/905677302.db2.gz VYLKSUHYHVZXME-KXMPLOMGSA-N 1 2 289.339 0.291 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292935401 906369497 /nfs/dbraw/zinc/36/94/97/906369497.db2.gz GYPCSSVKAKIUPE-LBPRGKRZSA-N 1 2 278.356 0.718 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001337651463 921281170 /nfs/dbraw/zinc/28/11/70/921281170.db2.gz YRURVFQNNSSMMF-LBPRGKRZSA-N 1 2 278.356 0.944 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001337651463 921281173 /nfs/dbraw/zinc/28/11/73/921281173.db2.gz YRURVFQNNSSMMF-LBPRGKRZSA-N 1 2 278.356 0.944 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001297293734 907050690 /nfs/dbraw/zinc/05/06/90/907050690.db2.gz MFUVHOVMAVSYNV-ZDUSSCGKSA-N 1 2 298.383 0.675 20 30 CCEDLO C#C[C@H](CO)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001298581852 907280086 /nfs/dbraw/zinc/28/00/86/907280086.db2.gz NQCGSYOTOONAQO-CYBMUJFWSA-N 1 2 269.304 0.525 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](COC)OC ZINC001381573204 907302816 /nfs/dbraw/zinc/30/28/16/907302816.db2.gz KMAGHNGVQHPTIR-QWRGUYRKSA-N 1 2 278.780 0.837 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](COC)OC ZINC001381573204 907302836 /nfs/dbraw/zinc/30/28/36/907302836.db2.gz KMAGHNGVQHPTIR-QWRGUYRKSA-N 1 2 278.780 0.837 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001381573202 907304599 /nfs/dbraw/zinc/30/45/99/907304599.db2.gz KMAGHNGVQHPTIR-GHMZBOCLSA-N 1 2 278.780 0.837 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001381573202 907304623 /nfs/dbraw/zinc/30/46/23/907304623.db2.gz KMAGHNGVQHPTIR-GHMZBOCLSA-N 1 2 278.780 0.837 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491591906 907427763 /nfs/dbraw/zinc/42/77/63/907427763.db2.gz GWIUGLOZCUJXOA-SNVBAGLBSA-N 1 2 295.387 0.305 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001492007698 907672212 /nfs/dbraw/zinc/67/22/12/907672212.db2.gz JAHUBPZUZYURMI-GFCCVEGCSA-N 1 2 290.367 0.978 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccon1 ZINC001382453785 907747946 /nfs/dbraw/zinc/74/79/46/907747946.db2.gz WOGRVKQJXJHKHX-CMPLNLGQSA-N 1 2 280.328 0.085 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC001382453785 907747953 /nfs/dbraw/zinc/74/79/53/907747953.db2.gz WOGRVKQJXJHKHX-CMPLNLGQSA-N 1 2 280.328 0.085 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC001492236066 907789067 /nfs/dbraw/zinc/78/90/67/907789067.db2.gz DAUBCPWDMIESNW-UHFFFAOYSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=O)NC1CCCC1 ZINC001492236066 907789074 /nfs/dbraw/zinc/78/90/74/907789074.db2.gz DAUBCPWDMIESNW-UHFFFAOYSA-N 1 2 293.411 0.897 20 30 CCEDLO C[C@H](Nc1cccnc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC001338084276 921365457 /nfs/dbraw/zinc/36/54/57/921365457.db2.gz MFIMEQYYPBHJAN-SMDDNHRTSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1cccnc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC001338084276 921365469 /nfs/dbraw/zinc/36/54/69/921365469.db2.gz MFIMEQYYPBHJAN-SMDDNHRTSA-N 1 2 259.357 0.999 20 30 CCEDLO C#CC1(O)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001304596592 908175432 /nfs/dbraw/zinc/17/54/32/908175432.db2.gz SKGRLPBMCRAPBP-UHFFFAOYSA-N 1 2 267.288 0.692 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001338117262 908202524 /nfs/dbraw/zinc/20/25/24/908202524.db2.gz DWKJCRNQXTZDDM-VXGBXAGGSA-N 1 2 271.361 0.207 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cnc3n2CCOC3)nn1 ZINC001308442484 908417067 /nfs/dbraw/zinc/41/70/67/908417067.db2.gz HWXXZVSLPKBETB-UHFFFAOYSA-N 1 2 274.328 0.481 20 30 CCEDLO C=CCCCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001309431438 908465915 /nfs/dbraw/zinc/46/59/15/908465915.db2.gz RXGPWQOMUKQNNH-UHFFFAOYSA-N 1 2 261.391 0.425 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001328587381 908692063 /nfs/dbraw/zinc/69/20/63/908692063.db2.gz YLBRKUAJVJGTFV-VXGBXAGGSA-N 1 2 263.341 0.748 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001316975395 908709340 /nfs/dbraw/zinc/70/93/40/908709340.db2.gz YLSWJBGXKWYBHH-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001316975395 908709347 /nfs/dbraw/zinc/70/93/47/908709347.db2.gz YLSWJBGXKWYBHH-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001316968480 908882787 /nfs/dbraw/zinc/88/27/87/908882787.db2.gz OSPPJLBMFVTPOW-JKSUJKDBSA-N 1 2 289.423 0.790 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCNC1=O ZINC001317483717 909253880 /nfs/dbraw/zinc/25/38/80/909253880.db2.gz IPVAKJOZLUFXTK-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCNC1=O ZINC001317483717 909253888 /nfs/dbraw/zinc/25/38/88/909253888.db2.gz IPVAKJOZLUFXTK-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001317573326 909360224 /nfs/dbraw/zinc/36/02/24/909360224.db2.gz OLTOMRQURJNJJV-BDAKNGLRSA-N 1 2 265.317 0.647 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001317586827 909388893 /nfs/dbraw/zinc/38/88/93/909388893.db2.gz PZRKFUITNPTVBG-SNVBAGLBSA-N 1 2 282.369 0.124 20 30 CCEDLO C=C(C)CCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001318029513 909590367 /nfs/dbraw/zinc/59/03/67/909590367.db2.gz XAJQNWBWYGZXBA-GFCCVEGCSA-N 1 2 256.346 0.150 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001318042428 909594075 /nfs/dbraw/zinc/59/40/75/909594075.db2.gz UEGMFZRVXUFPHY-UHFFFAOYSA-N 1 2 299.374 0.542 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cn(C)nc2C)C1 ZINC001319307505 910084685 /nfs/dbraw/zinc/08/46/85/910084685.db2.gz HRSSZIPCSAWGOQ-AWEZNQCLSA-N 1 2 292.383 0.274 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cn(C)nc2C)C1 ZINC001319307505 910084696 /nfs/dbraw/zinc/08/46/96/910084696.db2.gz HRSSZIPCSAWGOQ-AWEZNQCLSA-N 1 2 292.383 0.274 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001319312068 910091167 /nfs/dbraw/zinc/09/11/67/910091167.db2.gz YSMNAEXJFFZCRQ-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001319312068 910091175 /nfs/dbraw/zinc/09/11/75/910091175.db2.gz YSMNAEXJFFZCRQ-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO COCC1(O)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC001319530099 910192423 /nfs/dbraw/zinc/19/24/23/910192423.db2.gz UQBLBMDYTZYYTG-LBPRGKRZSA-N 1 2 251.330 0.903 20 30 CCEDLO C[C@H](C(=O)NCC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001319571366 910206865 /nfs/dbraw/zinc/20/68/65/910206865.db2.gz IIRZKUVZPQFKIG-GFCCVEGCSA-N 1 2 275.356 0.796 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001319946476 910364141 /nfs/dbraw/zinc/36/41/41/910364141.db2.gz HERXCBRNTBBWMP-AAEUAGOBSA-N 1 2 277.372 0.842 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001319946476 910364164 /nfs/dbraw/zinc/36/41/64/910364164.db2.gz HERXCBRNTBBWMP-AAEUAGOBSA-N 1 2 277.372 0.842 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC001417721464 921573245 /nfs/dbraw/zinc/57/32/45/921573245.db2.gz UGRQBGKZZUOKPH-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC001417721464 921573257 /nfs/dbraw/zinc/57/32/57/921573257.db2.gz UGRQBGKZZUOKPH-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO N#CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC001417720753 921574572 /nfs/dbraw/zinc/57/45/72/921574572.db2.gz XQKFPOCYZRTSDG-NSHDSACASA-N 1 2 274.324 0.634 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC001390740239 910637152 /nfs/dbraw/zinc/63/71/52/910637152.db2.gz DFZANMYZJPLCMB-ZDUSSCGKSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC001390740239 910637159 /nfs/dbraw/zinc/63/71/59/910637159.db2.gz DFZANMYZJPLCMB-ZDUSSCGKSA-N 1 2 294.399 0.453 20 30 CCEDLO Cc1cc(C[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)nn1C ZINC001391153093 910923734 /nfs/dbraw/zinc/92/37/34/910923734.db2.gz DSPBKYMEEADQIS-NSHDSACASA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)nn1C ZINC001391153093 910923748 /nfs/dbraw/zinc/92/37/48/910923748.db2.gz DSPBKYMEEADQIS-NSHDSACASA-N 1 2 289.383 0.969 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\CNCC#N ZINC001321284598 911204309 /nfs/dbraw/zinc/20/43/09/911204309.db2.gz GOZCWGLTJPWSOO-OTDNITJGSA-N 1 2 261.329 0.374 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\CNCC#N ZINC001321284598 911204326 /nfs/dbraw/zinc/20/43/26/911204326.db2.gz GOZCWGLTJPWSOO-OTDNITJGSA-N 1 2 261.329 0.374 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001417876264 921665327 /nfs/dbraw/zinc/66/53/27/921665327.db2.gz CCDLHDOCSCPDIW-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001417876264 921665329 /nfs/dbraw/zinc/66/53/29/921665329.db2.gz CCDLHDOCSCPDIW-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@H](C)CN(C)CC#N ZINC001322183008 911698407 /nfs/dbraw/zinc/69/84/07/911698407.db2.gz KYERIPINCNOFTF-NSHDSACASA-N 1 2 276.340 0.593 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001392314132 911720414 /nfs/dbraw/zinc/72/04/14/911720414.db2.gz MXJDAWPFPOZAIV-ZDUSSCGKSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001392314132 911720432 /nfs/dbraw/zinc/72/04/32/911720432.db2.gz MXJDAWPFPOZAIV-ZDUSSCGKSA-N 1 2 287.791 0.798 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CNCC#N)C1CC1 ZINC001323079658 912106422 /nfs/dbraw/zinc/10/64/22/912106422.db2.gz BDKITXLWORPVAP-MFKMUULPSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CNCC#N)C1CC1 ZINC001323079658 912106434 /nfs/dbraw/zinc/10/64/34/912106434.db2.gz BDKITXLWORPVAP-MFKMUULPSA-N 1 2 275.356 0.596 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001339423648 921724799 /nfs/dbraw/zinc/72/47/99/921724799.db2.gz TWPHKIYKMLAFDJ-LBPRGKRZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001339423648 921724805 /nfs/dbraw/zinc/72/48/05/921724805.db2.gz TWPHKIYKMLAFDJ-LBPRGKRZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001323200525 912176983 /nfs/dbraw/zinc/17/69/83/912176983.db2.gz WAIWEEYRMGVYMT-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001323200525 912176996 /nfs/dbraw/zinc/17/69/96/912176996.db2.gz WAIWEEYRMGVYMT-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001417943065 921727110 /nfs/dbraw/zinc/72/71/10/921727110.db2.gz AMYJQPVDPJWVGS-RYUDHWBXSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001417943065 921727123 /nfs/dbraw/zinc/72/71/23/921727123.db2.gz AMYJQPVDPJWVGS-RYUDHWBXSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001417950901 921729334 /nfs/dbraw/zinc/72/93/34/921729334.db2.gz DLUOKYFKBJEPEQ-JTQLQIEISA-N 1 2 273.764 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001417950901 921729347 /nfs/dbraw/zinc/72/93/47/921729347.db2.gz DLUOKYFKBJEPEQ-JTQLQIEISA-N 1 2 273.764 0.585 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001399718886 915344214 /nfs/dbraw/zinc/34/42/14/915344214.db2.gz ZIKNPJQZDMZKKO-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001399718886 915344233 /nfs/dbraw/zinc/34/42/33/915344233.db2.gz ZIKNPJQZDMZKKO-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339633952 921782770 /nfs/dbraw/zinc/78/27/70/921782770.db2.gz LBWAUZNKIARLKK-MNOVXSKESA-N 1 2 265.361 0.658 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339633952 921782774 /nfs/dbraw/zinc/78/27/74/921782774.db2.gz LBWAUZNKIARLKK-MNOVXSKESA-N 1 2 265.361 0.658 20 30 CCEDLO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001329287461 915794031 /nfs/dbraw/zinc/79/40/31/915794031.db2.gz LNNFTTNAUKIBAK-NXEZZACHSA-N 1 2 292.343 0.237 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 ZINC001400687816 915864057 /nfs/dbraw/zinc/86/40/57/915864057.db2.gz CPJQGOBORQIPON-FZMZJTMJSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 ZINC001400687816 915864081 /nfs/dbraw/zinc/86/40/81/915864081.db2.gz CPJQGOBORQIPON-FZMZJTMJSA-N 1 2 287.367 0.977 20 30 CCEDLO C=CC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(=O)OCC ZINC001329408818 915888515 /nfs/dbraw/zinc/88/85/15/915888515.db2.gz CTNRMFIDZGDPGU-VGVVRCBHSA-N 1 2 296.367 0.499 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cccnc2)C1 ZINC001329636872 916088101 /nfs/dbraw/zinc/08/81/01/916088101.db2.gz AHQVTPTYSYEELP-UHFFFAOYSA-N 1 2 273.336 0.272 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001401518388 916302118 /nfs/dbraw/zinc/30/21/18/916302118.db2.gz XQXXQXGXYNLDOA-BQBZGAKWSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001401518388 916302139 /nfs/dbraw/zinc/30/21/39/916302139.db2.gz XQXXQXGXYNLDOA-BQBZGAKWSA-N 1 2 292.660 0.706 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330169818 916450449 /nfs/dbraw/zinc/45/04/49/916450449.db2.gz FGRONVLXXMPXRE-LLVKDONJSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330169818 916450467 /nfs/dbraw/zinc/45/04/67/916450467.db2.gz FGRONVLXXMPXRE-LLVKDONJSA-N 1 2 297.374 0.311 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001330177532 916455720 /nfs/dbraw/zinc/45/57/20/916455720.db2.gz QGOADTBMLIMOMM-NEPJUHHUSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001330177532 916455728 /nfs/dbraw/zinc/45/57/28/916455728.db2.gz QGOADTBMLIMOMM-NEPJUHHUSA-N 1 2 297.399 0.150 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330404373 916609071 /nfs/dbraw/zinc/60/90/71/916609071.db2.gz LSYXGMBALNEGGX-QWHCGFSZSA-N 1 2 291.355 0.002 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001401843866 916628686 /nfs/dbraw/zinc/62/86/86/916628686.db2.gz SESBPTMWYRZGCN-KOLCDFICSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001331494997 917370678 /nfs/dbraw/zinc/37/06/78/917370678.db2.gz KHHQUCOMFFSHPL-NXEZZACHSA-N 1 2 250.302 0.308 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(C#CCO)c1 ZINC001332694458 918388271 /nfs/dbraw/zinc/38/82/71/918388271.db2.gz KNYMVKJCFMQEDZ-CQSZACIVSA-N 1 2 299.330 0.227 20 30 CCEDLO C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)c1cn[nH]n1 ZINC001406601703 919386433 /nfs/dbraw/zinc/38/64/33/919386433.db2.gz JTXVUAIYDHLNKD-NSHDSACASA-N 1 2 298.350 0.927 20 30 CCEDLO C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)c1cn[nH]n1 ZINC001406601703 919386447 /nfs/dbraw/zinc/38/64/47/919386447.db2.gz JTXVUAIYDHLNKD-NSHDSACASA-N 1 2 298.350 0.927 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001334190879 919415645 /nfs/dbraw/zinc/41/56/45/919415645.db2.gz QSPAGZKDWNOOEP-NSHDSACASA-N 1 2 294.355 0.118 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406705225 919435589 /nfs/dbraw/zinc/43/55/89/919435589.db2.gz PBQGUYJZFATDQR-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406705225 919435596 /nfs/dbraw/zinc/43/55/96/919435596.db2.gz PBQGUYJZFATDQR-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC#CCO)C1 ZINC001334341819 919512141 /nfs/dbraw/zinc/51/21/41/919512141.db2.gz TYFOIKOBLPWSIU-CYBMUJFWSA-N 1 2 290.367 0.380 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001334385046 919541426 /nfs/dbraw/zinc/54/14/26/919541426.db2.gz BILARJJIZJPJDQ-UWVGGRQHSA-N 1 2 270.358 0.474 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nnccc1C#N ZINC001339823169 921841500 /nfs/dbraw/zinc/84/15/00/921841500.db2.gz JABSKIWFQRBBSP-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCOCC)n2CC)CC1 ZINC001341180704 922373273 /nfs/dbraw/zinc/37/32/73/922373273.db2.gz LZZOXEKANKHONV-UHFFFAOYSA-N 1 2 291.399 0.632 20 30 CCEDLO N#C[C@]1(C(=O)N2CCc3cc[nH+]c(N)c3C2)CCCOC1 ZINC001418838230 922446579 /nfs/dbraw/zinc/44/65/79/922446579.db2.gz PYLMZGBPZZTNJG-OAHLLOKOSA-N 1 2 286.335 0.869 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001341718284 922640582 /nfs/dbraw/zinc/64/05/82/922640582.db2.gz HGQDRBRMQZIBLQ-CHWSQXEVSA-N 1 2 287.367 0.016 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001341718284 922640594 /nfs/dbraw/zinc/64/05/94/922640594.db2.gz HGQDRBRMQZIBLQ-CHWSQXEVSA-N 1 2 287.367 0.016 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCc1cnn[nH]1 ZINC001419230324 922721481 /nfs/dbraw/zinc/72/14/81/922721481.db2.gz FJNVHUTVZJJELF-JTQLQIEISA-N 1 2 285.779 0.974 20 30 CCEDLO N#CCN1CCC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342392560 922945347 /nfs/dbraw/zinc/94/53/47/922945347.db2.gz MAIWHGPMQAPFOG-LBPRGKRZSA-N 1 2 275.356 0.694 20 30 CCEDLO C=CCCCN(CC)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001343125038 923208548 /nfs/dbraw/zinc/20/85/48/923208548.db2.gz RJIISJNMFWFNMW-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CC[C@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001343539288 923366495 /nfs/dbraw/zinc/36/64/95/923366495.db2.gz XVFXCDNBBJBOQF-MJBXVCDLSA-N 1 2 281.352 0.821 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCC#N ZINC001343724556 923445211 /nfs/dbraw/zinc/44/52/11/923445211.db2.gz IWITXRRCZAVHQZ-JTQLQIEISA-N 1 2 264.285 0.304 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCC#N ZINC001343724556 923445216 /nfs/dbraw/zinc/44/52/16/923445216.db2.gz IWITXRRCZAVHQZ-JTQLQIEISA-N 1 2 264.285 0.304 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346604779 924276753 /nfs/dbraw/zinc/27/67/53/924276753.db2.gz BSYNMTDPAMGWIJ-QWHCGFSZSA-N 1 2 268.405 0.838 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346604779 924276763 /nfs/dbraw/zinc/27/67/63/924276763.db2.gz BSYNMTDPAMGWIJ-QWHCGFSZSA-N 1 2 268.405 0.838 20 30 CCEDLO C[C@H](CNC(=O)NCCCCC#N)[NH+]1CCN(C)CC1 ZINC001347344857 924428113 /nfs/dbraw/zinc/42/81/13/924428113.db2.gz SSJRWGDZUICRLB-CYBMUJFWSA-N 1 2 281.404 0.615 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001348360756 924666454 /nfs/dbraw/zinc/66/64/54/924666454.db2.gz PHNBSUQSQAAQHZ-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001348360756 924666459 /nfs/dbraw/zinc/66/64/59/924666459.db2.gz PHNBSUQSQAAQHZ-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO CC(C)C#CC(=O)NCCNC(=O)CCCn1cc[nH+]c1 ZINC001348924284 924845203 /nfs/dbraw/zinc/84/52/03/924845203.db2.gz PHBIAEAFSLYBLS-UHFFFAOYSA-N 1 2 290.367 0.555 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001349362727 924941711 /nfs/dbraw/zinc/94/17/11/924941711.db2.gz JXPJQVDLVDLIOO-NSHDSACASA-N 1 2 261.325 0.595 20 30 CCEDLO C#Cc1ccc(NCC[NH+]2CCN(C(C)=O)CC2)nc1 ZINC001354078900 926008705 /nfs/dbraw/zinc/00/87/05/926008705.db2.gz GRAFOYBSUYAWEF-UHFFFAOYSA-N 1 2 272.352 0.639 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)CN(C)CC(F)(F)F ZINC001413964547 926013441 /nfs/dbraw/zinc/01/34/41/926013441.db2.gz NAMWAYYIXNPBFU-NSHDSACASA-N 1 2 297.321 0.703 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CN(C)CC(F)(F)F ZINC001413964547 926013446 /nfs/dbraw/zinc/01/34/46/926013446.db2.gz NAMWAYYIXNPBFU-NSHDSACASA-N 1 2 297.321 0.703 20 30 CCEDLO CC1(C)C[N@H+](CCNc2nnccc2C#N)CCO1 ZINC001354099377 926013942 /nfs/dbraw/zinc/01/39/42/926013942.db2.gz FJFAXNKYEWHOBZ-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)C[N@@H+](CCNc2nnccc2C#N)CCO1 ZINC001354099377 926013946 /nfs/dbraw/zinc/01/39/46/926013946.db2.gz FJFAXNKYEWHOBZ-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C[C@H](C)O)n2CC=C)CC1 ZINC001355961371 926330134 /nfs/dbraw/zinc/33/01/34/926330134.db2.gz ZCBZMFVYLVAOMB-ZDUSSCGKSA-N 1 2 289.383 0.143 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC001361511438 927117086 /nfs/dbraw/zinc/11/70/86/927117086.db2.gz QIHMTJFYGKSPIP-UHFFFAOYSA-N 1 2 283.372 0.342 20 30 CCEDLO N#CCn1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001361870146 927407156 /nfs/dbraw/zinc/40/71/56/927407156.db2.gz PJUNHYWKDXPIBB-JTQLQIEISA-N 1 2 270.296 0.804 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001422867107 927561515 /nfs/dbraw/zinc/56/15/15/927561515.db2.gz WZUJOQIRPMFNHF-WCBMZHEXSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001422867107 927561524 /nfs/dbraw/zinc/56/15/24/927561524.db2.gz WZUJOQIRPMFNHF-WCBMZHEXSA-N 1 2 275.780 0.687 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C#N)C2 ZINC001362641101 928294090 /nfs/dbraw/zinc/29/40/90/928294090.db2.gz USNNKMKDCNKWCH-IJLUTSLNSA-N 1 2 288.351 0.317 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001425214145 928464460 /nfs/dbraw/zinc/46/44/60/928464460.db2.gz APKWYYZKVCISTN-BDAKNGLRSA-N 1 2 288.779 0.232 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001427068740 928965292 /nfs/dbraw/zinc/96/52/92/928965292.db2.gz LQZSTWVFPDJTNT-UWVGGRQHSA-N 1 2 289.339 0.075 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371950522 929682390 /nfs/dbraw/zinc/68/23/90/929682390.db2.gz HINVGDQUZQDWJU-UHFFFAOYSA-N 1 2 276.764 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371950522 929682395 /nfs/dbraw/zinc/68/23/95/929682395.db2.gz HINVGDQUZQDWJU-UHFFFAOYSA-N 1 2 276.764 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001372202679 929765996 /nfs/dbraw/zinc/76/59/96/929765996.db2.gz IEFNCQNCIKIYDK-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001372202679 929766003 /nfs/dbraw/zinc/76/60/03/929766003.db2.gz IEFNCQNCIKIYDK-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001445958512 930295075 /nfs/dbraw/zinc/29/50/75/930295075.db2.gz OSHIUQZQYLFKDK-MXWKQRLJSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001447994770 930777853 /nfs/dbraw/zinc/77/78/53/930777853.db2.gz SYLJOBJKCMDMQE-VIFPVBQESA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001447994770 930777861 /nfs/dbraw/zinc/77/78/61/930777861.db2.gz SYLJOBJKCMDMQE-VIFPVBQESA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001448346206 930876414 /nfs/dbraw/zinc/87/64/14/930876414.db2.gz TVHVYHMVYOCUES-ZYHUDNBSSA-N 1 2 299.802 0.844 20 30 CCEDLO CCn1ncnc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001375404537 930879563 /nfs/dbraw/zinc/87/95/63/930879563.db2.gz QGFKGWJGSRUCRZ-SNVBAGLBSA-N 1 2 276.344 0.196 20 30 CCEDLO CC[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093049993 349522763 /nfs/dbraw/zinc/52/27/63/349522763.db2.gz GMROSUXZLIMXBR-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)cs1)[C@H](C)C(N)=O ZINC000093139424 349528179 /nfs/dbraw/zinc/52/81/79/349528179.db2.gz WIXZAFCQSWAUPF-SECBINFHSA-N 1 2 267.354 0.942 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)C(N)=O ZINC000093139424 349528183 /nfs/dbraw/zinc/52/81/83/349528183.db2.gz WIXZAFCQSWAUPF-SECBINFHSA-N 1 2 267.354 0.942 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600418632 361955128 /nfs/dbraw/zinc/95/51/28/361955128.db2.gz DNZINLJBPMZXBK-ZDUSSCGKSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600418632 361955133 /nfs/dbraw/zinc/95/51/33/361955133.db2.gz DNZINLJBPMZXBK-ZDUSSCGKSA-N 1 2 273.336 0.927 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000600421890 361957228 /nfs/dbraw/zinc/95/72/28/361957228.db2.gz PWAXZOBGQPFWBL-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000600421890 361957232 /nfs/dbraw/zinc/95/72/32/361957232.db2.gz PWAXZOBGQPFWBL-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000600423009 361958723 /nfs/dbraw/zinc/95/87/23/361958723.db2.gz YZSUGVMVNYFERX-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000600423009 361958726 /nfs/dbraw/zinc/95/87/26/361958726.db2.gz YZSUGVMVNYFERX-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000103148164 349691057 /nfs/dbraw/zinc/69/10/57/349691057.db2.gz UNRPMIQRCOXVFJ-CYBMUJFWSA-N 1 2 260.293 0.932 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000103148164 349691059 /nfs/dbraw/zinc/69/10/59/349691059.db2.gz UNRPMIQRCOXVFJ-CYBMUJFWSA-N 1 2 260.293 0.932 20 30 CCEDLO N#Cc1cccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000600972609 362108411 /nfs/dbraw/zinc/10/84/11/362108411.db2.gz LLKVOARWPLOWRG-AWEZNQCLSA-N 1 2 269.308 0.859 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329024145 529780464 /nfs/dbraw/zinc/78/04/64/529780464.db2.gz NDXXDZUSNVOUFA-GFCCVEGCSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329024145 529780465 /nfs/dbraw/zinc/78/04/65/529780465.db2.gz NDXXDZUSNVOUFA-GFCCVEGCSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330289261 529824292 /nfs/dbraw/zinc/82/42/92/529824292.db2.gz BXCZALVZGVXCAP-ZJUUUORDSA-N 1 2 262.313 0.633 20 30 CCEDLO CC(C)(C)NC(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595806 349859305 /nfs/dbraw/zinc/85/93/05/349859305.db2.gz UCHGKOIEZXFGPF-CYBMUJFWSA-N 1 2 288.351 0.589 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC(C)(C)CC#N)C1 ZINC000601437450 362273272 /nfs/dbraw/zinc/27/32/72/362273272.db2.gz YGXWKGCNDGIJFW-LLVKDONJSA-N 1 2 289.401 0.176 20 30 CCEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC(C)(C)CC#N)C1 ZINC000601437450 362273280 /nfs/dbraw/zinc/27/32/80/362273280.db2.gz YGXWKGCNDGIJFW-LLVKDONJSA-N 1 2 289.401 0.176 20 30 CCEDLO C=C(C)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000601780983 362389980 /nfs/dbraw/zinc/38/99/80/362389980.db2.gz FAJGCFJHNVMYKN-JTQLQIEISA-N 1 2 265.313 0.966 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000358195242 232061183 /nfs/dbraw/zinc/06/11/83/232061183.db2.gz SEUXRJSXPSAWBD-UHFFFAOYSA-N 1 2 253.265 0.806 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000408114613 260240464 /nfs/dbraw/zinc/24/04/64/260240464.db2.gz YMOXRPXEKRNIHO-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO Cn1nc2c(c1C[NH+]1CCN(CC#N)CC1)CCCC2 ZINC000602456426 362626034 /nfs/dbraw/zinc/62/60/34/362626034.db2.gz XILYSZRPUHTHLT-UHFFFAOYSA-N 1 2 273.384 0.940 20 30 CCEDLO C[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CC[NH2+]CC1=O ZINC000602521693 362655100 /nfs/dbraw/zinc/65/51/00/362655100.db2.gz QFCSYYMBRZIBFC-NSHDSACASA-N 1 2 298.346 0.221 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000602643294 362728659 /nfs/dbraw/zinc/72/86/59/362728659.db2.gz DBRFNIUVLAKDCL-AVGNSLFASA-N 1 2 298.383 0.768 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000602694406 362752831 /nfs/dbraw/zinc/75/28/31/362752831.db2.gz REYJCCQMHSTQSP-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000602694406 362752835 /nfs/dbraw/zinc/75/28/35/362752835.db2.gz REYJCCQMHSTQSP-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO COCC[N@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602798415 362805932 /nfs/dbraw/zinc/80/59/32/362805932.db2.gz ZLXGOGFKCGEDBO-GFCCVEGCSA-N 1 2 286.397 0.816 20 30 CCEDLO COCC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602798415 362805934 /nfs/dbraw/zinc/80/59/34/362805934.db2.gz ZLXGOGFKCGEDBO-GFCCVEGCSA-N 1 2 286.397 0.816 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H](C)N1CC#N ZINC000602853520 362840841 /nfs/dbraw/zinc/84/08/41/362840841.db2.gz JMNAUPAAIBSOBQ-TXEJJXNPSA-N 1 2 264.373 0.431 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H](C)N1CC#N ZINC000602853520 362840847 /nfs/dbraw/zinc/84/08/47/362840847.db2.gz JMNAUPAAIBSOBQ-TXEJJXNPSA-N 1 2 264.373 0.431 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857028 362843309 /nfs/dbraw/zinc/84/33/09/362843309.db2.gz OBJBJOYEHKHYGX-RWMBFGLXSA-N 1 2 266.389 0.819 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857028 362843312 /nfs/dbraw/zinc/84/33/12/362843312.db2.gz OBJBJOYEHKHYGX-RWMBFGLXSA-N 1 2 266.389 0.819 20 30 CCEDLO CC(C)CNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864032 362849251 /nfs/dbraw/zinc/84/92/51/362849251.db2.gz PKLYMJLSQUEXQY-STQMWFEESA-N 1 2 266.389 0.677 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cnccc1C#N ZINC000342368463 137089868 /nfs/dbraw/zinc/08/98/68/137089868.db2.gz HJYSUTJAPHOSES-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000007923900 348009701 /nfs/dbraw/zinc/00/97/01/348009701.db2.gz ZLVQBPPREZXVTH-WFASDCNBSA-N 1 2 296.415 0.886 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000007923900 348009702 /nfs/dbraw/zinc/00/97/02/348009702.db2.gz ZLVQBPPREZXVTH-WFASDCNBSA-N 1 2 296.415 0.886 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000008309504 348011942 /nfs/dbraw/zinc/01/19/42/348011942.db2.gz NNDNFFQOUKWCDP-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000008309504 348011944 /nfs/dbraw/zinc/01/19/44/348011944.db2.gz NNDNFFQOUKWCDP-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)CC2)c1 ZINC000019846892 348072078 /nfs/dbraw/zinc/07/20/78/348072078.db2.gz DRPDRTJRIMRKDT-UHFFFAOYSA-N 1 2 259.309 0.953 20 30 CCEDLO Cc1nc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1C#N ZINC000029964520 348116917 /nfs/dbraw/zinc/11/69/17/348116917.db2.gz HIPTWJCJAVYCRQ-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@H]([NH2+]CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000035046475 348154637 /nfs/dbraw/zinc/15/46/37/348154637.db2.gz RBMMUOLDGWUUBV-VIFPVBQESA-N 1 2 253.327 0.898 20 30 CCEDLO CCO[C@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000536300422 290849917 /nfs/dbraw/zinc/84/99/17/290849917.db2.gz JPPUTTVRUKXDIU-SECBINFHSA-N 1 2 279.344 0.219 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000602908441 362880631 /nfs/dbraw/zinc/88/06/31/362880631.db2.gz PTGFPPBQEYBRCJ-ZWNOBZJWSA-N 1 2 295.364 0.376 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000602908441 362880637 /nfs/dbraw/zinc/88/06/37/362880637.db2.gz PTGFPPBQEYBRCJ-ZWNOBZJWSA-N 1 2 295.364 0.376 20 30 CCEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000051502782 348490238 /nfs/dbraw/zinc/49/02/38/348490238.db2.gz CIEGMQOSOIDATB-UHFFFAOYSA-N 1 2 288.351 0.040 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000060552833 348645961 /nfs/dbraw/zinc/64/59/61/348645961.db2.gz CBAWONCCDDZPQZ-UHFFFAOYSA-N 1 2 295.339 0.867 20 30 CCEDLO CCOC(=O)c1cnn(Cc2[nH+]ccn2C)c1C#N ZINC000273470862 192163717 /nfs/dbraw/zinc/16/37/17/192163717.db2.gz KHEFYBKUTVUNSN-UHFFFAOYSA-N 1 2 259.269 0.713 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000064795739 348704371 /nfs/dbraw/zinc/70/43/71/348704371.db2.gz GDHNMXGLFYDFKF-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000064795739 348704374 /nfs/dbraw/zinc/70/43/74/348704374.db2.gz GDHNMXGLFYDFKF-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072878574 348936960 /nfs/dbraw/zinc/93/69/60/348936960.db2.gz ANFMIYCEDOBMJY-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072878574 348936961 /nfs/dbraw/zinc/93/69/61/348936961.db2.gz ANFMIYCEDOBMJY-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO N#Cc1ccccc1OCC(=O)NCc1[nH]cc[nH+]1 ZINC000070990368 348901672 /nfs/dbraw/zinc/90/16/72/348901672.db2.gz BEPPXGKARYUDJK-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO N#Cc1ccnc(SC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000076493013 349085652 /nfs/dbraw/zinc/08/56/52/349085652.db2.gz DLNKTZRPOJAJJO-LBPRGKRZSA-N 1 2 279.365 0.738 20 30 CCEDLO CCCCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000603018620 362940564 /nfs/dbraw/zinc/94/05/64/362940564.db2.gz XVTJUTBXMCRTSX-UHFFFAOYSA-N 1 2 266.389 0.824 20 30 CCEDLO COC(=O)CN(CC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000080896249 349232469 /nfs/dbraw/zinc/23/24/69/349232469.db2.gz ODGMONSNBFDVCC-UHFFFAOYSA-N 1 2 290.245 0.944 20 30 CCEDLO CC[N@H+](CCC#N)CCn1nc2ccccn2c1=O ZINC000081040568 349243317 /nfs/dbraw/zinc/24/33/17/349243317.db2.gz CQBNNFBOZHGZTQ-UHFFFAOYSA-N 1 2 259.313 0.732 20 30 CCEDLO CC[N@@H+](CCC#N)CCn1nc2ccccn2c1=O ZINC000081040568 349243320 /nfs/dbraw/zinc/24/33/20/349243320.db2.gz CQBNNFBOZHGZTQ-UHFFFAOYSA-N 1 2 259.313 0.732 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cn1C ZINC000081751882 349282163 /nfs/dbraw/zinc/28/21/63/349282163.db2.gz XNLVMOQFORTVKB-LBPRGKRZSA-N 1 2 289.383 0.262 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1C#N ZINC000603086612 362954926 /nfs/dbraw/zinc/95/49/26/362954926.db2.gz LUIQRXLKIGIPPZ-IAQYHMDHSA-N 1 2 272.304 0.911 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1C#N ZINC000603086612 362954928 /nfs/dbraw/zinc/95/49/28/362954928.db2.gz LUIQRXLKIGIPPZ-IAQYHMDHSA-N 1 2 272.304 0.911 20 30 CCEDLO C=C(C)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000154402438 350587856 /nfs/dbraw/zinc/58/78/56/350587856.db2.gz YCRJEJZLIHMZMN-UHFFFAOYSA-N 1 2 274.368 0.896 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000163776164 350773310 /nfs/dbraw/zinc/77/33/10/350773310.db2.gz PNFDZSWTOLPCJX-OLZOCXBDSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000163776164 350773313 /nfs/dbraw/zinc/77/33/13/350773313.db2.gz PNFDZSWTOLPCJX-OLZOCXBDSA-N 1 2 260.293 0.666 20 30 CCEDLO C=CC[N@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000171749218 350931849 /nfs/dbraw/zinc/93/18/49/350931849.db2.gz RPUYIVUQPQCNHG-LBPRGKRZSA-N 1 2 269.370 0.558 20 30 CCEDLO C=CC[N@@H+](CCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000171749218 350931853 /nfs/dbraw/zinc/93/18/53/350931853.db2.gz RPUYIVUQPQCNHG-LBPRGKRZSA-N 1 2 269.370 0.558 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000171079360 350883461 /nfs/dbraw/zinc/88/34/61/350883461.db2.gz BEJBAPITUABVNB-GFCCVEGCSA-N 1 2 273.340 0.339 20 30 CCEDLO COc1cc(C#N)ccc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603241632 363018673 /nfs/dbraw/zinc/01/86/73/363018673.db2.gz UGPGXSKQMYVWKH-CQSZACIVSA-N 1 2 299.334 0.868 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CC(C)(C)C#N)nn1 ZINC000603266235 363035054 /nfs/dbraw/zinc/03/50/54/363035054.db2.gz DYBMMKZLHMGOHG-CYBMUJFWSA-N 1 2 275.356 0.692 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184805675 351423180 /nfs/dbraw/zinc/42/31/80/351423180.db2.gz AUSHAZYHKXAQLX-LLVKDONJSA-N 1 2 286.339 0.615 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603280240 363042580 /nfs/dbraw/zinc/04/25/80/363042580.db2.gz NDBYAYVDMFIVBQ-UHFFFAOYSA-N 1 2 256.331 0.448 20 30 CCEDLO C[C@H](C#N)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193226383 351817203 /nfs/dbraw/zinc/81/72/03/351817203.db2.gz QFWHIHZDTIPESD-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C#N)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193226383 351817206 /nfs/dbraw/zinc/81/72/06/351817206.db2.gz QFWHIHZDTIPESD-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO Cc1nc(NCCC[N@@H+]2CCNC(=O)C2)ccc1C#N ZINC000291769753 198086344 /nfs/dbraw/zinc/08/63/44/198086344.db2.gz BRQYWIUQXSWUQA-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO Cc1nc(NCCC[N@H+]2CCNC(=O)C2)ccc1C#N ZINC000291769753 198086345 /nfs/dbraw/zinc/08/63/45/198086345.db2.gz BRQYWIUQXSWUQA-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249271896 352482991 /nfs/dbraw/zinc/48/29/91/352482991.db2.gz BNQILRSOKVQZIO-RTXFEEFZSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249271896 352482993 /nfs/dbraw/zinc/48/29/93/352482993.db2.gz BNQILRSOKVQZIO-RTXFEEFZSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251060982 352509164 /nfs/dbraw/zinc/50/91/64/352509164.db2.gz VLZWFNZGHOFVMD-MNOVXSKESA-N 1 2 257.359 0.398 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251060982 352509167 /nfs/dbraw/zinc/50/91/67/352509167.db2.gz VLZWFNZGHOFVMD-MNOVXSKESA-N 1 2 257.359 0.398 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000264804122 352598611 /nfs/dbraw/zinc/59/86/11/352598611.db2.gz WYNPYDPYCSLOGX-KXPUMZMLSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000264804122 352598614 /nfs/dbraw/zinc/59/86/14/352598614.db2.gz WYNPYDPYCSLOGX-KXPUMZMLSA-N 1 2 298.390 0.933 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(N)s2)C1=O ZINC000262067403 352575516 /nfs/dbraw/zinc/57/55/16/352575516.db2.gz RTIHLBILNYYROY-JTQLQIEISA-N 1 2 266.370 0.944 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(N)s2)C1=O ZINC000262067403 352575518 /nfs/dbraw/zinc/57/55/18/352575518.db2.gz RTIHLBILNYYROY-JTQLQIEISA-N 1 2 266.370 0.944 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1CC1 ZINC000274251169 353115625 /nfs/dbraw/zinc/11/56/25/353115625.db2.gz ZTDKUPIPYQLDHS-UHFFFAOYSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1CC1 ZINC000274251169 353115628 /nfs/dbraw/zinc/11/56/28/353115628.db2.gz ZTDKUPIPYQLDHS-UHFFFAOYSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(C)C2=O)n1 ZINC000279739341 353312621 /nfs/dbraw/zinc/31/26/21/353312621.db2.gz ONWMOYAFPPQTKE-ZDUSSCGKSA-N 1 2 260.341 0.569 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(C)C2=O)n1 ZINC000279739341 353312623 /nfs/dbraw/zinc/31/26/23/353312623.db2.gz ONWMOYAFPPQTKE-ZDUSSCGKSA-N 1 2 260.341 0.569 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCn2cncn2)n1 ZINC000279812098 353317267 /nfs/dbraw/zinc/31/72/67/353317267.db2.gz XRSAPEIOUIJBED-UHFFFAOYSA-N 1 2 258.329 0.630 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCn2cncn2)n1 ZINC000279812098 353317270 /nfs/dbraw/zinc/31/72/70/353317270.db2.gz XRSAPEIOUIJBED-UHFFFAOYSA-N 1 2 258.329 0.630 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000282089278 353392243 /nfs/dbraw/zinc/39/22/43/353392243.db2.gz IBGQLVCXQSBCRQ-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000282089278 353392245 /nfs/dbraw/zinc/39/22/45/353392245.db2.gz IBGQLVCXQSBCRQ-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000280666879 353374214 /nfs/dbraw/zinc/37/42/14/353374214.db2.gz PMLOXSHMLQZPNA-UHFFFAOYSA-N 1 2 277.324 0.864 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383801 353419256 /nfs/dbraw/zinc/41/92/56/353419256.db2.gz XDPFEGUITIHDDV-RISCZKNCSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383801 353419257 /nfs/dbraw/zinc/41/92/57/353419257.db2.gz XDPFEGUITIHDDV-RISCZKNCSA-N 1 2 273.336 0.754 20 30 CCEDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287297298 353637265 /nfs/dbraw/zinc/63/72/65/353637265.db2.gz JKUXDVCUIRSNTC-SNVBAGLBSA-N 1 2 299.352 0.150 20 30 CCEDLO Cc1cc[nH+]c(C)c1NC(=O)NCCn1cnc(C#N)n1 ZINC000287438262 353647401 /nfs/dbraw/zinc/64/74/01/353647401.db2.gz HDWQMSYOZGVIKZ-UHFFFAOYSA-N 1 2 285.311 0.983 20 30 CCEDLO C[C@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290181312 353713330 /nfs/dbraw/zinc/71/33/30/353713330.db2.gz FIQGKBZZZYNHIA-ZDUSSCGKSA-N 1 2 295.364 0.184 20 30 CCEDLO C[C@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290181312 353713333 /nfs/dbraw/zinc/71/33/33/353713333.db2.gz FIQGKBZZZYNHIA-ZDUSSCGKSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000290200692 353715232 /nfs/dbraw/zinc/71/52/32/353715232.db2.gz TWEIVJSDIIPUOV-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000290200692 353715235 /nfs/dbraw/zinc/71/52/35/353715235.db2.gz TWEIVJSDIIPUOV-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1ncccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000290958197 353759749 /nfs/dbraw/zinc/75/97/49/353759749.db2.gz OBEICGLEYUBJMM-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ncccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000290958197 353759751 /nfs/dbraw/zinc/75/97/51/353759751.db2.gz OBEICGLEYUBJMM-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000291038616 353764946 /nfs/dbraw/zinc/76/49/46/353764946.db2.gz WNTRFIINMRDEAO-BXUZGUMPSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296364827 353944351 /nfs/dbraw/zinc/94/43/51/353944351.db2.gz XAWUENUZTBKLIW-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296364827 353944354 /nfs/dbraw/zinc/94/43/54/353944354.db2.gz XAWUENUZTBKLIW-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298871055 353974403 /nfs/dbraw/zinc/97/44/03/353974403.db2.gz KDAGSGVLIYWVGA-VHSXEESVSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298871055 353974407 /nfs/dbraw/zinc/97/44/07/353974407.db2.gz KDAGSGVLIYWVGA-VHSXEESVSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298871053 353974604 /nfs/dbraw/zinc/97/46/04/353974604.db2.gz KDAGSGVLIYWVGA-UWVGGRQHSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298871053 353974605 /nfs/dbraw/zinc/97/46/05/353974605.db2.gz KDAGSGVLIYWVGA-UWVGGRQHSA-N 1 2 252.318 0.618 20 30 CCEDLO CO[C@H]1C[NH+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1OC ZINC000300176597 354059846 /nfs/dbraw/zinc/05/98/46/354059846.db2.gz IGGCTHQIIFRTCH-KBPBESRZSA-N 1 2 289.335 0.842 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000305098420 354129722 /nfs/dbraw/zinc/12/97/22/354129722.db2.gz WTWGOJRNWWKWTM-STQMWFEESA-N 1 2 271.382 0.436 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000305098420 354129725 /nfs/dbraw/zinc/12/97/25/354129725.db2.gz WTWGOJRNWWKWTM-STQMWFEESA-N 1 2 271.382 0.436 20 30 CCEDLO N#Cc1ccccc1C[N@H+](CCO)CCN1CCOCC1 ZINC000304710994 354121840 /nfs/dbraw/zinc/12/18/40/354121840.db2.gz LWLYXXMSTZDWSO-UHFFFAOYSA-N 1 2 289.379 0.685 20 30 CCEDLO N#Cc1ccccc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000304710994 354121842 /nfs/dbraw/zinc/12/18/42/354121842.db2.gz LWLYXXMSTZDWSO-UHFFFAOYSA-N 1 2 289.379 0.685 20 30 CCEDLO N#Cc1ccccc1CN(CCO)CC[NH+]1CCOCC1 ZINC000304710994 354121844 /nfs/dbraw/zinc/12/18/44/354121844.db2.gz LWLYXXMSTZDWSO-UHFFFAOYSA-N 1 2 289.379 0.685 20 30 CCEDLO C=C(C)COCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338224926 355311938 /nfs/dbraw/zinc/31/19/38/355311938.db2.gz ZPNLRRLBMMDSBM-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338624564 355381954 /nfs/dbraw/zinc/38/19/54/355381954.db2.gz KSTYDBVDHQSQIX-LBPRGKRZSA-N 1 2 257.309 0.155 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338624564 355381959 /nfs/dbraw/zinc/38/19/59/355381959.db2.gz KSTYDBVDHQSQIX-LBPRGKRZSA-N 1 2 257.309 0.155 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628212 355384666 /nfs/dbraw/zinc/38/46/66/355384666.db2.gz YLORWEFGVDYTQM-ZYHUDNBSSA-N 1 2 257.309 0.153 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](F)(CO)C1 ZINC000338628212 355384669 /nfs/dbraw/zinc/38/46/69/355384669.db2.gz YLORWEFGVDYTQM-ZYHUDNBSSA-N 1 2 257.309 0.153 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCNC1=O ZINC000340221758 355528191 /nfs/dbraw/zinc/52/81/91/355528191.db2.gz QPSDITKEQRVFKD-LBPRGKRZSA-N 1 2 272.308 0.317 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCNC1=O ZINC000340221758 355528193 /nfs/dbraw/zinc/52/81/93/355528193.db2.gz QPSDITKEQRVFKD-LBPRGKRZSA-N 1 2 272.308 0.317 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000341562450 355694303 /nfs/dbraw/zinc/69/43/03/355694303.db2.gz IHGZUABZQRLTHJ-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000341562450 355694306 /nfs/dbraw/zinc/69/43/06/355694306.db2.gz IHGZUABZQRLTHJ-UHFFFAOYSA-N 1 2 299.338 0.542 20 30 CCEDLO N#Cc1csc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000342845327 355757530 /nfs/dbraw/zinc/75/75/30/355757530.db2.gz INAVIQYYMJQYDJ-UHFFFAOYSA-N 1 2 265.338 0.256 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343341502 355768679 /nfs/dbraw/zinc/76/86/79/355768679.db2.gz VQJXGCYAUZJCSO-GFCCVEGCSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343341502 355768686 /nfs/dbraw/zinc/76/86/86/355768686.db2.gz VQJXGCYAUZJCSO-GFCCVEGCSA-N 1 2 254.330 0.168 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000343366963 355769218 /nfs/dbraw/zinc/76/92/18/355769218.db2.gz TXDHOWOCGAAMAW-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000342274437 355728521 /nfs/dbraw/zinc/72/85/21/355728521.db2.gz VYTKAMPGNXRKHI-GFCCVEGCSA-N 1 2 290.367 0.830 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC(=O)NCC#N ZINC000344148008 355786385 /nfs/dbraw/zinc/78/63/85/355786385.db2.gz DQFAWZOIIXERLF-UHFFFAOYSA-N 1 2 299.334 0.491 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000427992868 235389523 /nfs/dbraw/zinc/38/95/23/235389523.db2.gz NNCMGDSESUIPTB-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO CNC(=O)[C@H](CCSC)[NH2+]Cc1nc(C#N)cs1 ZINC000352899156 356105530 /nfs/dbraw/zinc/10/55/30/356105530.db2.gz QHLFSDFIJKHXBP-VIFPVBQESA-N 1 2 284.410 0.972 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000619621061 366303352 /nfs/dbraw/zinc/30/33/52/366303352.db2.gz SMWQCEWAYDVOSS-GJZGRUSLSA-N 1 2 290.411 0.939 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609620227 363509860 /nfs/dbraw/zinc/50/98/60/363509860.db2.gz LRGOQLPFKCLTBZ-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000355262288 356621943 /nfs/dbraw/zinc/62/19/43/356621943.db2.gz QYOOYANKGDOIIG-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO N#Cc1ccc2ncc(C[NH2+]Cc3nnnn3C3CC3)n2c1 ZINC000610272455 363547556 /nfs/dbraw/zinc/54/75/56/363547556.db2.gz XEUBEAZYKCSSOC-UHFFFAOYSA-N 1 2 294.322 0.817 20 30 CCEDLO COCC[N@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000610448039 363560840 /nfs/dbraw/zinc/56/08/40/363560840.db2.gz STQHLKKYDSWAEU-UHFFFAOYSA-N 1 2 267.289 0.653 20 30 CCEDLO COCC[N@@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000610448039 363560842 /nfs/dbraw/zinc/56/08/42/363560842.db2.gz STQHLKKYDSWAEU-UHFFFAOYSA-N 1 2 267.289 0.653 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)OC)CC1 ZINC000619716773 366334264 /nfs/dbraw/zinc/33/42/64/366334264.db2.gz GIWKHQZSZFBPFS-LLVKDONJSA-N 1 2 255.314 0.989 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372734195 357379808 /nfs/dbraw/zinc/37/98/08/357379808.db2.gz CCAIQUKLKMUOOV-WDEREUQCSA-N 1 2 276.365 0.913 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2cnc(C#N)cn2)C1 ZINC000400762338 357795750 /nfs/dbraw/zinc/79/57/50/357795750.db2.gz ITWHOMLCQOJTBH-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2cnc(C#N)cn2)C1 ZINC000400762338 357795752 /nfs/dbraw/zinc/79/57/52/357795752.db2.gz ITWHOMLCQOJTBH-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO COCCN1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000407993848 357856379 /nfs/dbraw/zinc/85/63/79/357856379.db2.gz VCENACRWTDYIEH-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO COCCN1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000407993848 357856381 /nfs/dbraw/zinc/85/63/81/357856381.db2.gz VCENACRWTDYIEH-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cncc(F)c2)CC1 ZINC000491149081 358291900 /nfs/dbraw/zinc/29/19/00/358291900.db2.gz YTCQUTJTQDNSNJ-UHFFFAOYSA-N 1 2 290.342 0.088 20 30 CCEDLO C=CCOCc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000545087235 358549958 /nfs/dbraw/zinc/54/99/58/358549958.db2.gz QOUZMFPIHQOLKK-SNVBAGLBSA-N 1 2 252.318 0.691 20 30 CCEDLO C=CCOCc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000545087235 358549960 /nfs/dbraw/zinc/54/99/60/358549960.db2.gz QOUZMFPIHQOLKK-SNVBAGLBSA-N 1 2 252.318 0.691 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000610797441 363614733 /nfs/dbraw/zinc/61/47/33/363614733.db2.gz WRBZVYBOFUEUDG-CYBMUJFWSA-N 1 2 285.351 0.354 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000571774704 358925616 /nfs/dbraw/zinc/92/56/16/358925616.db2.gz QNGJVTHOYSQAOH-LLVKDONJSA-N 1 2 280.372 0.347 20 30 CCEDLO Cc1cc(C#N)nc(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000587971462 359302488 /nfs/dbraw/zinc/30/24/88/359302488.db2.gz VJOSXNRIQXXJBI-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO N#CC1(CC(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000590268888 359433938 /nfs/dbraw/zinc/43/39/38/359433938.db2.gz ATVDPEWPRIDZFU-UHFFFAOYSA-N 1 2 288.355 0.116 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000589629991 359393595 /nfs/dbraw/zinc/39/35/95/359393595.db2.gz QWKSOZJHAAQQRD-NOZJJQNGSA-N 1 2 277.303 0.914 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000589629991 359393600 /nfs/dbraw/zinc/39/36/00/359393600.db2.gz QWKSOZJHAAQQRD-NOZJJQNGSA-N 1 2 277.303 0.914 20 30 CCEDLO Cc1nc(N2CC[NH+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000589859210 359406978 /nfs/dbraw/zinc/40/69/78/359406978.db2.gz ZSRHEJXJOQIMSU-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590698486 359508814 /nfs/dbraw/zinc/50/88/14/359508814.db2.gz LVTIXKSMWGBXSO-RYUDHWBXSA-N 1 2 271.357 0.966 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590698486 359508820 /nfs/dbraw/zinc/50/88/20/359508820.db2.gz LVTIXKSMWGBXSO-RYUDHWBXSA-N 1 2 271.357 0.966 20 30 CCEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCC1(F)F ZINC000591767379 359656068 /nfs/dbraw/zinc/65/60/68/359656068.db2.gz OYJCMCXMOQDJNM-GHMZBOCLSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H]1CCCC1(F)F ZINC000591767379 359656070 /nfs/dbraw/zinc/65/60/70/359656070.db2.gz OYJCMCXMOQDJNM-GHMZBOCLSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H]1CCCC1(F)F ZINC000591767379 359656075 /nfs/dbraw/zinc/65/60/75/359656075.db2.gz OYJCMCXMOQDJNM-GHMZBOCLSA-N 1 2 261.316 0.970 20 30 CCEDLO COCC(=O)NC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591817869 359662002 /nfs/dbraw/zinc/66/20/02/359662002.db2.gz JWRRHNDHUVGAFI-UHFFFAOYSA-N 1 2 288.351 0.993 20 30 CCEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151607 359770667 /nfs/dbraw/zinc/77/06/67/359770667.db2.gz PUESFXQNKNPRBG-AWEZNQCLSA-N 1 2 267.373 0.889 20 30 CCEDLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151607 359770672 /nfs/dbraw/zinc/77/06/72/359770672.db2.gz PUESFXQNKNPRBG-AWEZNQCLSA-N 1 2 267.373 0.889 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000592147169 359765267 /nfs/dbraw/zinc/76/52/67/359765267.db2.gz IWOPTYGCZIBCTR-MRXNPFEDSA-N 1 2 285.347 0.926 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000592147169 359765270 /nfs/dbraw/zinc/76/52/70/359765270.db2.gz IWOPTYGCZIBCTR-MRXNPFEDSA-N 1 2 285.347 0.926 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000592147245 359765317 /nfs/dbraw/zinc/76/53/17/359765317.db2.gz KGTCBYGYGNYBTO-OAHLLOKOSA-N 1 2 291.326 0.792 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000592147245 359765319 /nfs/dbraw/zinc/76/53/19/359765319.db2.gz KGTCBYGYGNYBTO-OAHLLOKOSA-N 1 2 291.326 0.792 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592147444 359765902 /nfs/dbraw/zinc/76/59/02/359765902.db2.gz LYOVNYVGQFITFO-UMVBOHGHSA-N 1 2 279.384 0.841 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592147444 359765908 /nfs/dbraw/zinc/76/59/08/359765908.db2.gz LYOVNYVGQFITFO-UMVBOHGHSA-N 1 2 279.384 0.841 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147369 359766305 /nfs/dbraw/zinc/76/63/05/359766305.db2.gz KPGQAPSLDQGZIK-DYEKYZERSA-N 1 2 281.356 0.021 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147369 359766308 /nfs/dbraw/zinc/76/63/08/359766308.db2.gz KPGQAPSLDQGZIK-DYEKYZERSA-N 1 2 281.356 0.021 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000592148372 359767581 /nfs/dbraw/zinc/76/75/81/359767581.db2.gz UOAXTWWGRBSTLG-CYBMUJFWSA-N 1 2 257.297 0.580 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000592148372 359767586 /nfs/dbraw/zinc/76/75/86/359767586.db2.gz UOAXTWWGRBSTLG-CYBMUJFWSA-N 1 2 257.297 0.580 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000592149412 359768601 /nfs/dbraw/zinc/76/86/01/359768601.db2.gz OQKPXPLAPKNACE-HNNXBMFYSA-N 1 2 291.326 0.792 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000592149412 359768603 /nfs/dbraw/zinc/76/86/03/359768603.db2.gz OQKPXPLAPKNACE-HNNXBMFYSA-N 1 2 291.326 0.792 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947265 359992457 /nfs/dbraw/zinc/99/24/57/359992457.db2.gz AWENIUNQEGHRFL-MFKMUULPSA-N 1 2 262.288 0.910 20 30 CCEDLO CN(C)C[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000593154381 360048791 /nfs/dbraw/zinc/04/87/91/360048791.db2.gz KUSLJGITLHUHEY-CYBMUJFWSA-N 1 2 263.345 0.623 20 30 CCEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)nn1 ZINC000593154960 360048839 /nfs/dbraw/zinc/04/88/39/360048839.db2.gz RBDXJLIPSMJZCE-CYBMUJFWSA-N 1 2 261.329 0.667 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ncccn2n1 ZINC000593153294 360048852 /nfs/dbraw/zinc/04/88/52/360048852.db2.gz TUJYVMNLAHSEAB-ZDUSSCGKSA-N 1 2 272.312 0.303 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000298166282 200350201 /nfs/dbraw/zinc/35/02/01/200350201.db2.gz SUFIHSVWHRFTHW-BETUJISGSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000298166282 200350203 /nfs/dbraw/zinc/35/02/03/200350203.db2.gz SUFIHSVWHRFTHW-BETUJISGSA-N 1 2 297.399 0.198 20 30 CCEDLO COCCOCC[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000593516193 360104427 /nfs/dbraw/zinc/10/44/27/360104427.db2.gz BBGWFRXYDAAGNT-UHFFFAOYSA-N 1 2 291.355 0.133 20 30 CCEDLO CC[C@H](C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000593700557 360137271 /nfs/dbraw/zinc/13/72/71/360137271.db2.gz VILKNPSAVWWJAD-UPJWGTAASA-N 1 2 265.357 0.858 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000593887696 360194438 /nfs/dbraw/zinc/19/44/38/360194438.db2.gz YANYOSDTPREMPE-UHFFFAOYSA-N 1 2 283.372 0.343 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593885842 360194598 /nfs/dbraw/zinc/19/45/98/360194598.db2.gz CAZHZYXAKATGIO-ZDUSSCGKSA-N 1 2 283.372 0.343 20 30 CCEDLO Cc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)nc1 ZINC000594001349 360231452 /nfs/dbraw/zinc/23/14/52/360231452.db2.gz XPISHOICCPLOTH-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO Cc1cncc(CC[NH+]2CCN(C(=O)CC#N)CC2)n1 ZINC000594003499 360232800 /nfs/dbraw/zinc/23/28/00/360232800.db2.gz MWYWHXDBFAYFPZ-UHFFFAOYSA-N 1 2 273.340 0.385 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000594011600 360234802 /nfs/dbraw/zinc/23/48/02/360234802.db2.gz BRVMEYHZGBZXSN-GFCCVEGCSA-N 1 2 280.372 0.397 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000611462396 363719453 /nfs/dbraw/zinc/71/94/53/363719453.db2.gz ABSLQYQTOAFBGP-UHFFFAOYSA-N 1 2 288.417 0.350 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607270 360595550 /nfs/dbraw/zinc/59/55/50/360595550.db2.gz KHCNPNZBBCIXTH-WDEREUQCSA-N 1 2 250.302 0.328 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607270 360595560 /nfs/dbraw/zinc/59/55/60/360595560.db2.gz KHCNPNZBBCIXTH-WDEREUQCSA-N 1 2 250.302 0.328 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000595650345 360606400 /nfs/dbraw/zinc/60/64/00/360606400.db2.gz XYMAQKQLHOAVHB-ZDUSSCGKSA-N 1 2 261.329 0.908 20 30 CCEDLO CC[N@H+](CCC(=O)Nc1cc(C)on1)[C@H](C)C#N ZINC000595815086 360664700 /nfs/dbraw/zinc/66/47/00/360664700.db2.gz LCZISXWUPPEDPP-SECBINFHSA-N 1 2 250.302 0.968 20 30 CCEDLO CC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@H](C)C#N ZINC000595815086 360664708 /nfs/dbraw/zinc/66/47/08/360664708.db2.gz LCZISXWUPPEDPP-SECBINFHSA-N 1 2 250.302 0.968 20 30 CCEDLO CN1CC(=O)N(CC[N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841104 360675818 /nfs/dbraw/zinc/67/58/18/360675818.db2.gz HXOMUNARXHCBDC-GFCCVEGCSA-N 1 2 250.302 0.116 20 30 CCEDLO CN1CC(=O)N(CC[N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841104 360675821 /nfs/dbraw/zinc/67/58/21/360675821.db2.gz HXOMUNARXHCBDC-GFCCVEGCSA-N 1 2 250.302 0.116 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cnc(C#N)cn2)[C@@H](C)CO1 ZINC000596426881 360891154 /nfs/dbraw/zinc/89/11/54/360891154.db2.gz CNLNWOMGUHFVOC-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cnc(C#N)cn2)[C@@H](C)CO1 ZINC000596426881 360891160 /nfs/dbraw/zinc/89/11/60/360891160.db2.gz CNLNWOMGUHFVOC-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000596692758 360941905 /nfs/dbraw/zinc/94/19/05/360941905.db2.gz AGKUCBOOMUHVSF-NEPJUHHUSA-N 1 2 292.383 0.347 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596701647 360943167 /nfs/dbraw/zinc/94/31/67/360943167.db2.gz WNVWQTPJOQVHJA-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO C=CCCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000596717418 360945783 /nfs/dbraw/zinc/94/57/83/360945783.db2.gz JDOWDXFJIYZNSX-CQSZACIVSA-N 1 2 280.416 0.984 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597136287 361013991 /nfs/dbraw/zinc/01/39/91/361013991.db2.gz UGKMLDTZFKDXHY-VXGBXAGGSA-N 1 2 276.340 0.912 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476454 361107531 /nfs/dbraw/zinc/10/75/31/361107531.db2.gz LKMYFMLFQHWPGL-ZJUUUORDSA-N 1 2 276.365 0.982 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476454 361107535 /nfs/dbraw/zinc/10/75/35/361107535.db2.gz LKMYFMLFQHWPGL-ZJUUUORDSA-N 1 2 276.365 0.982 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)CO)[nH+]c12 ZINC000597748181 361232496 /nfs/dbraw/zinc/23/24/96/361232496.db2.gz WWEBXSQUFOIIEJ-LLVKDONJSA-N 1 2 258.281 0.186 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCN(C)CC1 ZINC000597914592 361282337 /nfs/dbraw/zinc/28/23/37/361282337.db2.gz WOLQDRSBDWCKRG-UONOGXRCSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000597997620 361304399 /nfs/dbraw/zinc/30/43/99/361304399.db2.gz SYKVFIODUDNINN-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000597997620 361304403 /nfs/dbraw/zinc/30/44/03/361304403.db2.gz SYKVFIODUDNINN-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996936 361305054 /nfs/dbraw/zinc/30/50/54/361305054.db2.gz RRNLAOBRBZQVAN-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996936 361305058 /nfs/dbraw/zinc/30/50/58/361305058.db2.gz RRNLAOBRBZQVAN-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ccc(C#N)nc2)CC1 ZINC000301497044 201029921 /nfs/dbraw/zinc/02/99/21/201029921.db2.gz CNIZAPLUCYIVRC-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)N([C@@H](C)C#N)C2CC2)C1 ZINC000598127876 361340125 /nfs/dbraw/zinc/34/01/25/361340125.db2.gz DSMVXYZOGOVVER-CMPLNLGQSA-N 1 2 251.330 0.610 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)N([C@@H](C)C#N)C2CC2)C1 ZINC000598127876 361340128 /nfs/dbraw/zinc/34/01/28/361340128.db2.gz DSMVXYZOGOVVER-CMPLNLGQSA-N 1 2 251.330 0.610 20 30 CCEDLO C[C@H](NC(=O)CNc1ccc(C#N)cn1)c1[nH+]ccn1C ZINC000598466309 361424709 /nfs/dbraw/zinc/42/47/09/361424709.db2.gz YGNUHGMMPHVQEK-JTQLQIEISA-N 1 2 284.323 0.398 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598604858 361456910 /nfs/dbraw/zinc/45/69/10/361456910.db2.gz AREGJUOFWSFNAX-WDEREUQCSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598604858 361456912 /nfs/dbraw/zinc/45/69/12/361456912.db2.gz AREGJUOFWSFNAX-WDEREUQCSA-N 1 2 253.346 0.450 20 30 CCEDLO CO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000598836386 361523541 /nfs/dbraw/zinc/52/35/41/361523541.db2.gz IBUNWPRACQGRHD-YPMHNXCESA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)nn1 ZINC000301940937 201269704 /nfs/dbraw/zinc/26/97/04/201269704.db2.gz UJYYMPKLBNNELA-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599423106 361692840 /nfs/dbraw/zinc/69/28/40/361692840.db2.gz STWNBKRKELWGPM-SNVBAGLBSA-N 1 2 273.340 0.719 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000612007684 363828663 /nfs/dbraw/zinc/82/86/63/363828663.db2.gz FMLFELFZQHFYTD-MRXNPFEDSA-N 1 2 290.363 0.973 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612154758 363856914 /nfs/dbraw/zinc/85/69/14/363856914.db2.gz DRQXXVSXPHVSBR-ZWNOBZJWSA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612154758 363856921 /nfs/dbraw/zinc/85/69/21/363856921.db2.gz DRQXXVSXPHVSBR-ZWNOBZJWSA-N 1 2 266.345 0.846 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167609 363858594 /nfs/dbraw/zinc/85/85/94/363858594.db2.gz RANBVYPTVLOCGK-OAHLLOKOSA-N 1 2 292.383 0.303 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167609 363858597 /nfs/dbraw/zinc/85/85/97/363858597.db2.gz RANBVYPTVLOCGK-OAHLLOKOSA-N 1 2 292.383 0.303 20 30 CCEDLO Cc1ccnc(N2CC[NH+](CC(=O)NC3CC3)CC2)c1C#N ZINC000612067603 363841017 /nfs/dbraw/zinc/84/10/17/363841017.db2.gz UKSJNDZLIVUQBI-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000613394802 364237099 /nfs/dbraw/zinc/23/70/99/364237099.db2.gz OJMCKVPZIWFFLY-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613394802 364237107 /nfs/dbraw/zinc/23/71/07/364237107.db2.gz OJMCKVPZIWFFLY-BXUZGUMPSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000615429159 364948323 /nfs/dbraw/zinc/94/83/23/364948323.db2.gz UHHHWYZVUKAUQT-QMTHXVAHSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000615429159 364948326 /nfs/dbraw/zinc/94/83/26/364948326.db2.gz UHHHWYZVUKAUQT-QMTHXVAHSA-N 1 2 289.335 0.713 20 30 CCEDLO CC(C)(CNC(=O)N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC000615528596 364993175 /nfs/dbraw/zinc/99/31/75/364993175.db2.gz FAYDVKCNLMCDLA-AWEZNQCLSA-N 1 2 298.362 0.744 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000615825589 365098380 /nfs/dbraw/zinc/09/83/80/365098380.db2.gz RPQOYSSZDTXWPK-GXFFZTMASA-N 1 2 262.288 0.910 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565157466 291348910 /nfs/dbraw/zinc/34/89/10/291348910.db2.gz NEZKNTPRNOJMHS-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565157466 291348912 /nfs/dbraw/zinc/34/89/12/291348912.db2.gz NEZKNTPRNOJMHS-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO NC(=O)C[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000626077864 368429469 /nfs/dbraw/zinc/42/94/69/368429469.db2.gz RVHLBOJJSXMXQI-CQSZACIVSA-N 1 2 258.321 0.614 20 30 CCEDLO NC(=O)C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000626077864 368429473 /nfs/dbraw/zinc/42/94/73/368429473.db2.gz RVHLBOJJSXMXQI-CQSZACIVSA-N 1 2 258.321 0.614 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626449077 368548012 /nfs/dbraw/zinc/54/80/12/368548012.db2.gz VSIVRQQESAJKGC-RYUDHWBXSA-N 1 2 263.341 0.807 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(F)c1 ZINC000330616759 203042447 /nfs/dbraw/zinc/04/24/47/203042447.db2.gz VTJKVNPDXAVHIE-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(F)c1 ZINC000330616759 203042449 /nfs/dbraw/zinc/04/24/49/203042449.db2.gz VTJKVNPDXAVHIE-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637439711 374150971 /nfs/dbraw/zinc/15/09/71/374150971.db2.gz AJXMCYNVZSYNOQ-LBPRGKRZSA-N 1 2 271.361 0.161 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637439711 374150976 /nfs/dbraw/zinc/15/09/76/374150976.db2.gz AJXMCYNVZSYNOQ-LBPRGKRZSA-N 1 2 271.361 0.161 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCCCC2)nn1 ZINC000640756816 376521258 /nfs/dbraw/zinc/52/12/58/376521258.db2.gz KRLGAYDGFSNSCO-UHFFFAOYSA-N 1 2 289.383 0.794 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccco2)nn1 ZINC000640757886 376522016 /nfs/dbraw/zinc/52/20/16/376522016.db2.gz BUONXRGMODVWST-UHFFFAOYSA-N 1 2 287.323 0.300 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC(C)(C)C)nn1 ZINC000640792557 376543643 /nfs/dbraw/zinc/54/36/43/376543643.db2.gz SCOWLMKOXNHUCS-UHFFFAOYSA-N 1 2 263.345 0.306 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCC[C@H]2C)nn1 ZINC000640794651 376548096 /nfs/dbraw/zinc/54/80/96/376548096.db2.gz XLQPQGXARSWMMX-CYBMUJFWSA-N 1 2 289.383 0.792 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000641106257 376786261 /nfs/dbraw/zinc/78/62/61/376786261.db2.gz DUMUYIZPVYQOCN-CYBMUJFWSA-N 1 2 289.383 0.963 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2conc2CC)nn1 ZINC000641172707 376843313 /nfs/dbraw/zinc/84/33/13/376843313.db2.gz VOCDJQIJQHHOKM-UHFFFAOYSA-N 1 2 259.313 0.990 20 30 CCEDLO CNS(=O)(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000289473558 197364098 /nfs/dbraw/zinc/36/40/98/197364098.db2.gz ZETWFTLASZKCLM-UHFFFAOYSA-N 1 2 294.380 0.140 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCCS(N)(=O)=O)n1 ZINC000279692906 194528262 /nfs/dbraw/zinc/52/82/62/194528262.db2.gz HVCJCSZRUHSRAD-UHFFFAOYSA-N 1 2 284.385 0.017 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCCS(N)(=O)=O)n1 ZINC000279692906 194528264 /nfs/dbraw/zinc/52/82/64/194528264.db2.gz HVCJCSZRUHSRAD-UHFFFAOYSA-N 1 2 284.385 0.017 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)nn1 ZINC000657400743 412982861 /nfs/dbraw/zinc/98/28/61/412982861.db2.gz VIGRFXCRQZFDAL-GFCCVEGCSA-N 1 2 284.385 0.521 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000185592472 388809083 /nfs/dbraw/zinc/80/90/83/388809083.db2.gz HLPDPYQCBJSHDI-NSHDSACASA-N 1 2 294.380 0.440 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000024734588 388810040 /nfs/dbraw/zinc/81/00/40/388810040.db2.gz BCVSDYDUOVZTRR-SNVBAGLBSA-N 1 2 298.387 0.233 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000024734588 388810043 /nfs/dbraw/zinc/81/00/43/388810043.db2.gz BCVSDYDUOVZTRR-SNVBAGLBSA-N 1 2 298.387 0.233 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2C)CC1 ZINC000283867917 388770585 /nfs/dbraw/zinc/77/05/85/388770585.db2.gz SSUXQSKYJHCYOP-UHFFFAOYSA-N 1 2 284.367 0.576 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000014927087 388788710 /nfs/dbraw/zinc/78/87/10/388788710.db2.gz SPDBEBVAXVTYDW-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000014927087 388788713 /nfs/dbraw/zinc/78/87/13/388788713.db2.gz SPDBEBVAXVTYDW-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO N#CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185929986 388818392 /nfs/dbraw/zinc/81/83/92/388818392.db2.gz AWFNXXUPFGVMQT-HNNXBMFYSA-N 1 2 287.363 0.960 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289748867 388888976 /nfs/dbraw/zinc/88/89/76/388888976.db2.gz FHANSRLTNNHRJM-JQWIXIFHSA-N 1 2 280.759 0.921 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289748867 388888980 /nfs/dbraw/zinc/88/89/80/388888980.db2.gz FHANSRLTNNHRJM-JQWIXIFHSA-N 1 2 280.759 0.921 20 30 CCEDLO C#CCSCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000290954990 388915777 /nfs/dbraw/zinc/91/57/77/388915777.db2.gz HCGNRYUHEOURPU-UHFFFAOYSA-N 1 2 264.354 0.775 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000049238723 388918381 /nfs/dbraw/zinc/91/83/81/388918381.db2.gz RQHLYFRDHXYGCO-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000049238723 388918384 /nfs/dbraw/zinc/91/83/84/388918384.db2.gz RQHLYFRDHXYGCO-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000065955118 388944218 /nfs/dbraw/zinc/94/42/18/388944218.db2.gz RXZKKCBMHMLTOU-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000065955118 388944221 /nfs/dbraw/zinc/94/42/21/388944221.db2.gz RXZKKCBMHMLTOU-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292411824 388949165 /nfs/dbraw/zinc/94/91/65/388949165.db2.gz ZNVVUGZXJAYYFF-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292411824 388949169 /nfs/dbraw/zinc/94/91/69/388949169.db2.gz ZNVVUGZXJAYYFF-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1OC ZINC000076185589 388986224 /nfs/dbraw/zinc/98/62/24/388986224.db2.gz CXVFFGJKIODSTR-UHFFFAOYSA-N 1 2 270.332 0.880 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000293917169 388989520 /nfs/dbraw/zinc/98/95/20/388989520.db2.gz XNLZRHPWONVSHY-UHFFFAOYSA-N 1 2 280.368 0.982 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000293870854 388989783 /nfs/dbraw/zinc/98/97/83/388989783.db2.gz SPKZRYPBYXZUCO-HNNXBMFYSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000293870854 388989784 /nfs/dbraw/zinc/98/97/84/388989784.db2.gz SPKZRYPBYXZUCO-HNNXBMFYSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000192222063 389027903 /nfs/dbraw/zinc/02/79/03/389027903.db2.gz PGSYPOBXFLJBQF-UHFFFAOYSA-N 1 2 291.376 0.768 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000192222063 389027906 /nfs/dbraw/zinc/02/79/06/389027906.db2.gz PGSYPOBXFLJBQF-UHFFFAOYSA-N 1 2 291.376 0.768 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000192230773 389029125 /nfs/dbraw/zinc/02/91/25/389029125.db2.gz OQUCAUPTISOBDK-UHFFFAOYSA-N 1 2 260.293 0.597 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000192230773 389029127 /nfs/dbraw/zinc/02/91/27/389029127.db2.gz OQUCAUPTISOBDK-UHFFFAOYSA-N 1 2 260.293 0.597 20 30 CCEDLO C#CC[N@@H+](C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000192229223 389030069 /nfs/dbraw/zinc/03/00/69/389030069.db2.gz XSMQZHQFQWXBPG-CQSZACIVSA-N 1 2 281.377 0.863 20 30 CCEDLO C#CC[N@H+](C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000192229223 389030073 /nfs/dbraw/zinc/03/00/73/389030073.db2.gz XSMQZHQFQWXBPG-CQSZACIVSA-N 1 2 281.377 0.863 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000354280365 389019794 /nfs/dbraw/zinc/01/97/94/389019794.db2.gz DAEQSGFBFUAYJQ-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000354280365 389019799 /nfs/dbraw/zinc/01/97/99/389019799.db2.gz DAEQSGFBFUAYJQ-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C[N@H+](CCC#N)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551978 389020405 /nfs/dbraw/zinc/02/04/05/389020405.db2.gz LILBLHUNLDRUDA-UHFFFAOYSA-N 1 2 250.258 0.602 20 30 CCEDLO C[N@@H+](CCC#N)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551978 389020406 /nfs/dbraw/zinc/02/04/06/389020406.db2.gz LILBLHUNLDRUDA-UHFFFAOYSA-N 1 2 250.258 0.602 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192666835 389048709 /nfs/dbraw/zinc/04/87/09/389048709.db2.gz HOXBJHBDHMKAJZ-JTQLQIEISA-N 1 2 288.145 0.569 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192666835 389048710 /nfs/dbraw/zinc/04/87/10/389048710.db2.gz HOXBJHBDHMKAJZ-JTQLQIEISA-N 1 2 288.145 0.569 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](COCC3CC3)C2)C1=O ZINC000337182584 389050427 /nfs/dbraw/zinc/05/04/27/389050427.db2.gz BJLZBOQGGKGTJQ-LSDHHAIUSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](COCC3CC3)C2)C1=O ZINC000337182584 389050435 /nfs/dbraw/zinc/05/04/35/389050435.db2.gz BJLZBOQGGKGTJQ-LSDHHAIUSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000337203305 389055038 /nfs/dbraw/zinc/05/50/38/389055038.db2.gz HPESFBMWLMPOPX-OLZOCXBDSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](C3CC3)C2)C1=O ZINC000337203305 389055042 /nfs/dbraw/zinc/05/50/42/389055042.db2.gz HPESFBMWLMPOPX-OLZOCXBDSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCC)C1=O ZINC000337236185 389057024 /nfs/dbraw/zinc/05/70/24/389057024.db2.gz XWZOUZLGTGCXEZ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCC)C1=O ZINC000337236185 389057027 /nfs/dbraw/zinc/05/70/27/389057027.db2.gz XWZOUZLGTGCXEZ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)CS(C)(=O)=O)C1=O ZINC000337232851 389057289 /nfs/dbraw/zinc/05/72/89/389057289.db2.gz VXPGAVXJWYZMKJ-RYUDHWBXSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@H](C)CS(C)(=O)=O)C1=O ZINC000337232851 389057293 /nfs/dbraw/zinc/05/72/93/389057293.db2.gz VXPGAVXJWYZMKJ-RYUDHWBXSA-N 1 2 288.413 0.386 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000308312223 389092917 /nfs/dbraw/zinc/09/29/17/389092917.db2.gz SDCHACJFUOSLQH-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000308312223 389092920 /nfs/dbraw/zinc/09/29/20/389092920.db2.gz SDCHACJFUOSLQH-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000104673112 389084111 /nfs/dbraw/zinc/08/41/11/389084111.db2.gz UUMZJUWQUHQWAE-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000104673112 389084113 /nfs/dbraw/zinc/08/41/13/389084113.db2.gz UUMZJUWQUHQWAE-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000328905398 389144878 /nfs/dbraw/zinc/14/48/78/389144878.db2.gz ATYDFSRZVMJGGY-VIFPVBQESA-N 1 2 298.343 0.697 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000328905398 389144880 /nfs/dbraw/zinc/14/48/80/389144880.db2.gz ATYDFSRZVMJGGY-VIFPVBQESA-N 1 2 298.343 0.697 20 30 CCEDLO C[C@H]([C@H](C)NS(=O)(=O)CCCC#N)[NH+]1CCOCC1 ZINC000111340749 389105580 /nfs/dbraw/zinc/10/55/80/389105580.db2.gz PRKSKTRYJGJGJJ-NWDGAFQWSA-N 1 2 289.401 0.319 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338352241 389109136 /nfs/dbraw/zinc/10/91/36/389109136.db2.gz HDKVFNFRABYXDU-ZJUUUORDSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338352241 389109137 /nfs/dbraw/zinc/10/91/37/389109137.db2.gz HDKVFNFRABYXDU-ZJUUUORDSA-N 1 2 266.345 0.845 20 30 CCEDLO CC(C)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000338889770 389118226 /nfs/dbraw/zinc/11/82/26/389118226.db2.gz YVOYQTFLNKKQIP-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCOCCC#N)C[C@H](C)O1 ZINC000339173356 389127680 /nfs/dbraw/zinc/12/76/80/389127680.db2.gz RVXHRPJUMLKPDR-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCOCCC#N)C[C@H](C)O1 ZINC000339173356 389127682 /nfs/dbraw/zinc/12/76/82/389127682.db2.gz RVXHRPJUMLKPDR-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO N#CCCOCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000339192517 389128337 /nfs/dbraw/zinc/12/83/37/389128337.db2.gz REGOGIFOFGWJRJ-CHWSQXEVSA-N 1 2 254.330 0.796 20 30 CCEDLO N#CCCOCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000339192517 389128340 /nfs/dbraw/zinc/12/83/40/389128340.db2.gz REGOGIFOFGWJRJ-CHWSQXEVSA-N 1 2 254.330 0.796 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115605130 389133326 /nfs/dbraw/zinc/13/33/26/389133326.db2.gz WAUHETJMHMZLPP-VXGBXAGGSA-N 1 2 298.350 0.451 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC[NH+]1CCOCC1)OCC ZINC000339433479 389133847 /nfs/dbraw/zinc/13/38/47/389133847.db2.gz KJCJOBFHJUITKX-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)OCC ZINC000339493477 389134470 /nfs/dbraw/zinc/13/44/70/389134470.db2.gz HRYOEBKTZAYZEN-KBPBESRZSA-N 1 2 281.400 0.474 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000339516281 389135110 /nfs/dbraw/zinc/13/51/10/389135110.db2.gz HNWQZBCGQOPDFX-NSHDSACASA-N 1 2 287.310 0.714 20 30 CCEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1cnnn1)CCC2 ZINC000328831331 389140393 /nfs/dbraw/zinc/14/03/93/389140393.db2.gz RHIVVZZEGKSVTE-SNVBAGLBSA-N 1 2 275.316 0.712 20 30 CCEDLO CNC(=O)N[C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329829125 389205551 /nfs/dbraw/zinc/20/55/51/389205551.db2.gz JQSUQDPHBZWKQD-RWMBFGLXSA-N 1 2 282.388 0.057 20 30 CCEDLO CNC(=O)N[C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329829125 389205553 /nfs/dbraw/zinc/20/55/53/389205553.db2.gz JQSUQDPHBZWKQD-RWMBFGLXSA-N 1 2 282.388 0.057 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359949028 389186473 /nfs/dbraw/zinc/18/64/73/389186473.db2.gz JJAMFVPYWKPRGV-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359949028 389186477 /nfs/dbraw/zinc/18/64/77/389186477.db2.gz JJAMFVPYWKPRGV-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C=CC[C@H](CC)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000341370810 389188095 /nfs/dbraw/zinc/18/80/95/389188095.db2.gz PHHIBYZQAZLKSY-KBPBESRZSA-N 1 2 299.415 0.676 20 30 CCEDLO CN1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1=O ZINC000329694747 389189017 /nfs/dbraw/zinc/18/90/17/389189017.db2.gz BCCZTNDLFFXZGI-UHFFFAOYSA-N 1 2 277.328 0.365 20 30 CCEDLO COC[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000329720835 389191835 /nfs/dbraw/zinc/19/18/35/389191835.db2.gz MWTGUWMCBXWVDX-FRRDWIJNSA-N 1 2 283.372 0.340 20 30 CCEDLO COC[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000329720835 389191838 /nfs/dbraw/zinc/19/18/38/389191838.db2.gz MWTGUWMCBXWVDX-FRRDWIJNSA-N 1 2 283.372 0.340 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329765596 389198116 /nfs/dbraw/zinc/19/81/16/389198116.db2.gz XDFPNPFZSPWJDK-JTQLQIEISA-N 1 2 296.375 0.112 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329765596 389198119 /nfs/dbraw/zinc/19/81/19/389198119.db2.gz XDFPNPFZSPWJDK-JTQLQIEISA-N 1 2 296.375 0.112 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360489648 389198276 /nfs/dbraw/zinc/19/82/76/389198276.db2.gz HKPXBLZVOCOWLU-BDAKNGLRSA-N 1 2 250.302 0.113 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360489648 389198278 /nfs/dbraw/zinc/19/82/78/389198278.db2.gz HKPXBLZVOCOWLU-BDAKNGLRSA-N 1 2 250.302 0.113 20 30 CCEDLO N#CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000360493507 389199238 /nfs/dbraw/zinc/19/92/38/389199238.db2.gz YFVJLWMXTZCNJW-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OC/C(Cl)=C/Cl ZINC000124251767 389160679 /nfs/dbraw/zinc/16/06/79/389160679.db2.gz GULILWGEYLEJGE-YVMONPNESA-N 1 2 268.144 0.926 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCCOC1 ZINC000329535833 389169407 /nfs/dbraw/zinc/16/94/07/389169407.db2.gz LOMLBGQCYBFQPM-LBPRGKRZSA-N 1 2 283.372 0.534 20 30 CCEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1COCCO1 ZINC000329626092 389178962 /nfs/dbraw/zinc/17/89/62/389178962.db2.gz TUHVPOLDNOURQT-NXEZZACHSA-N 1 2 280.328 0.186 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248488526 389246209 /nfs/dbraw/zinc/24/62/09/389246209.db2.gz MKINEGCVGZTSQX-HNYWDRBLSA-N 1 2 287.429 0.693 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248488526 389246213 /nfs/dbraw/zinc/24/62/13/389246213.db2.gz MKINEGCVGZTSQX-HNYWDRBLSA-N 1 2 287.429 0.693 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248609802 389247860 /nfs/dbraw/zinc/24/78/60/389247860.db2.gz QBBVTASLBITANX-SWLSCSKDSA-N 1 2 294.399 0.724 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248609802 389247865 /nfs/dbraw/zinc/24/78/65/389247865.db2.gz QBBVTASLBITANX-SWLSCSKDSA-N 1 2 294.399 0.724 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248614354 389247959 /nfs/dbraw/zinc/24/79/59/389247959.db2.gz HZDQWVYWLIBBPG-UONOGXRCSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248614354 389247966 /nfs/dbraw/zinc/24/79/66/389247966.db2.gz HZDQWVYWLIBBPG-UONOGXRCSA-N 1 2 284.400 0.883 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135679980 389261259 /nfs/dbraw/zinc/26/12/59/389261259.db2.gz VXZYRNPJVWQAOB-ZDUSSCGKSA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135679980 389261261 /nfs/dbraw/zinc/26/12/61/389261261.db2.gz VXZYRNPJVWQAOB-ZDUSSCGKSA-N 1 2 269.345 0.499 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccccc1F ZINC000136070553 389264280 /nfs/dbraw/zinc/26/42/80/389264280.db2.gz DSBONDHOBFLMJU-UHFFFAOYSA-N 1 2 269.276 0.113 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)CC1(C#N)CC1 ZINC000343312386 389264340 /nfs/dbraw/zinc/26/43/40/389264340.db2.gz BDXUMKDDJCSYFB-UHFFFAOYSA-N 1 2 262.357 0.838 20 30 CCEDLO CNC(=O)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329858182 389207086 /nfs/dbraw/zinc/20/70/86/389207086.db2.gz ZWRWTSJVDGBZMY-SECBINFHSA-N 1 2 262.313 0.490 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2(O)CCCC2)C1 ZINC000329940569 389213750 /nfs/dbraw/zinc/21/37/50/389213750.db2.gz GGGBDCHYYSFEAT-GFCCVEGCSA-N 1 2 269.389 0.884 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(O)CCCC2)C1 ZINC000329940569 389213751 /nfs/dbraw/zinc/21/37/51/389213751.db2.gz GGGBDCHYYSFEAT-GFCCVEGCSA-N 1 2 269.389 0.884 20 30 CCEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]CCn1cncn1 ZINC000329963426 389214154 /nfs/dbraw/zinc/21/41/54/389214154.db2.gz SPPTZDMYRMWZLU-LLVKDONJSA-N 1 2 289.343 0.241 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329963426 389214157 /nfs/dbraw/zinc/21/41/57/389214157.db2.gz SPPTZDMYRMWZLU-LLVKDONJSA-N 1 2 289.343 0.241 20 30 CCEDLO Cc1nc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1C#N ZINC000329993828 389215675 /nfs/dbraw/zinc/21/56/75/389215675.db2.gz YSIKYQQSSZOXTP-KBPBESRZSA-N 1 2 286.335 0.417 20 30 CCEDLO Cc1nc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1C#N ZINC000329993828 389215677 /nfs/dbraw/zinc/21/56/77/389215677.db2.gz YSIKYQQSSZOXTP-KBPBESRZSA-N 1 2 286.335 0.417 20 30 CCEDLO C=CCNC(=O)NC(=O)CSCC[NH+]1CCOCC1 ZINC000342422831 389218079 /nfs/dbraw/zinc/21/80/79/389218079.db2.gz YWIDJUXDNCYCCF-UHFFFAOYSA-N 1 2 287.385 0.064 20 30 CCEDLO N#CCSCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000330396632 389224474 /nfs/dbraw/zinc/22/44/74/389224474.db2.gz KLFHBHRCRSCOJI-LBPRGKRZSA-N 1 2 276.365 0.811 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330461059 389231595 /nfs/dbraw/zinc/23/15/95/389231595.db2.gz WGRNTRHGAPDRRJ-ZFWWWQNUSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330461059 389231597 /nfs/dbraw/zinc/23/15/97/389231597.db2.gz WGRNTRHGAPDRRJ-ZFWWWQNUSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330469249 389233072 /nfs/dbraw/zinc/23/30/72/389233072.db2.gz ZIFYDFAREDLQGX-GFCCVEGCSA-N 1 2 293.371 0.788 20 30 CCEDLO CCC(=O)N[C@@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330469249 389233074 /nfs/dbraw/zinc/23/30/74/389233074.db2.gz ZIFYDFAREDLQGX-GFCCVEGCSA-N 1 2 293.371 0.788 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342638740 389233127 /nfs/dbraw/zinc/23/31/27/389233127.db2.gz NHZIISRIWSQXOJ-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342638740 389233130 /nfs/dbraw/zinc/23/31/30/389233130.db2.gz NHZIISRIWSQXOJ-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247113907 389236022 /nfs/dbraw/zinc/23/60/22/389236022.db2.gz JDHXAZCYWIDSKH-ZIAGYGMSSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247113907 389236026 /nfs/dbraw/zinc/23/60/26/389236026.db2.gz JDHXAZCYWIDSKH-ZIAGYGMSSA-N 1 2 292.383 0.583 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345720303 389313069 /nfs/dbraw/zinc/31/30/69/389313069.db2.gz YJRWVVKEBCJVFD-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000266965677 389367687 /nfs/dbraw/zinc/36/76/87/389367687.db2.gz YDLQULYLZGWIFA-VIFPVBQESA-N 1 2 252.318 0.599 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000266965677 389367689 /nfs/dbraw/zinc/36/76/89/389367689.db2.gz YDLQULYLZGWIFA-VIFPVBQESA-N 1 2 252.318 0.599 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000160348250 389386880 /nfs/dbraw/zinc/38/68/80/389386880.db2.gz BHSMNEBITHSDIQ-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272532670 389468427 /nfs/dbraw/zinc/46/84/27/389468427.db2.gz IRYNXLGMCANOOC-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272532670 389468433 /nfs/dbraw/zinc/46/84/33/389468433.db2.gz IRYNXLGMCANOOC-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C=CCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000271994636 389454986 /nfs/dbraw/zinc/45/49/86/389454986.db2.gz BXUZLHDEFGKLRP-UHFFFAOYSA-N 1 2 295.339 0.076 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000275858471 389513811 /nfs/dbraw/zinc/51/38/11/389513811.db2.gz XJOMYIQWSQPHTI-CQSZACIVSA-N 1 2 288.351 0.181 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000275858471 389513814 /nfs/dbraw/zinc/51/38/14/389513814.db2.gz XJOMYIQWSQPHTI-CQSZACIVSA-N 1 2 288.351 0.181 20 30 CCEDLO Cc1cnc(CO[NH+]=C(N)CN2CCOCC2)o1 ZINC000174149809 389515615 /nfs/dbraw/zinc/51/56/15/389515615.db2.gz OYKZSBOHWNCGRB-UHFFFAOYSA-N 1 2 254.290 0.104 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCCC2)c1 ZINC000174211371 389516761 /nfs/dbraw/zinc/51/67/61/389516761.db2.gz NHLOEDUDRWZVOE-UHFFFAOYSA-N 1 2 277.324 0.955 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)CC)C1=O ZINC000281185916 389610220 /nfs/dbraw/zinc/61/02/20/389610220.db2.gz BGIYCGGTCYNINV-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)CC)C1=O ZINC000281185916 389610223 /nfs/dbraw/zinc/61/02/23/389610223.db2.gz BGIYCGGTCYNINV-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(N)=O)c2ccccc2)C1=O ZINC000281254351 389612091 /nfs/dbraw/zinc/61/20/91/389612091.db2.gz HCDXCFITGODWFY-ZIAGYGMSSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(N)=O)c2ccccc2)C1=O ZINC000281254351 389612093 /nfs/dbraw/zinc/61/20/93/389612093.db2.gz HCDXCFITGODWFY-ZIAGYGMSSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nn1 ZINC000424637330 389627273 /nfs/dbraw/zinc/62/72/73/389627273.db2.gz CMTKEFUJSDFCTB-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nn1 ZINC000424637330 389627278 /nfs/dbraw/zinc/62/72/78/389627278.db2.gz CMTKEFUJSDFCTB-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(CC=C)C2=O)CC1 ZINC000281968833 389641105 /nfs/dbraw/zinc/64/11/05/389641105.db2.gz KYEUNEVJZNVGNV-CQSZACIVSA-N 1 2 261.369 0.414 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335554608 389574456 /nfs/dbraw/zinc/57/44/56/389574456.db2.gz XJXRWZYMQLRZMG-PWSUYJOCSA-N 1 2 276.365 0.913 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335554609 389574506 /nfs/dbraw/zinc/57/45/06/389574506.db2.gz XJXRWZYMQLRZMG-ZYHUDNBSSA-N 1 2 276.365 0.913 20 30 CCEDLO CCOC1(C)CN(C[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000414124241 389601695 /nfs/dbraw/zinc/60/16/95/389601695.db2.gz KKAXDCSRBLRQRI-GFCCVEGCSA-N 1 2 255.362 0.304 20 30 CCEDLO CCOC1(C)CN(C[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000414124241 389601698 /nfs/dbraw/zinc/60/16/98/389601698.db2.gz KKAXDCSRBLRQRI-GFCCVEGCSA-N 1 2 255.362 0.304 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000426188460 389663044 /nfs/dbraw/zinc/66/30/44/389663044.db2.gz VGQHAYXPRHUWHF-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000426188460 389663046 /nfs/dbraw/zinc/66/30/46/389663046.db2.gz VGQHAYXPRHUWHF-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)o1 ZINC000351822635 389691683 /nfs/dbraw/zinc/69/16/83/389691683.db2.gz XQAOIAHZHLXRIE-NSHDSACASA-N 1 2 277.324 0.944 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375622309 389693497 /nfs/dbraw/zinc/69/34/97/389693497.db2.gz CZDIKFGJYKBJDY-CHWSQXEVSA-N 1 2 288.413 0.687 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352348827 389795030 /nfs/dbraw/zinc/79/50/30/389795030.db2.gz FVFPSKIEJFQXSP-UHFFFAOYSA-N 1 2 279.344 0.347 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352348827 389795034 /nfs/dbraw/zinc/79/50/34/389795034.db2.gz FVFPSKIEJFQXSP-UHFFFAOYSA-N 1 2 279.344 0.347 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000428981007 389730674 /nfs/dbraw/zinc/73/06/74/389730674.db2.gz WGHJEOUGKBMKEL-AWEZNQCLSA-N 1 2 277.299 0.510 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000428981007 389730677 /nfs/dbraw/zinc/73/06/77/389730677.db2.gz WGHJEOUGKBMKEL-AWEZNQCLSA-N 1 2 277.299 0.510 20 30 CCEDLO C#C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376441585 389735738 /nfs/dbraw/zinc/73/57/38/389735738.db2.gz MBRKFSHZIQCHAN-YNEHKIRRSA-N 1 2 265.357 0.513 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188967 389833150 /nfs/dbraw/zinc/83/31/50/389833150.db2.gz KKCOMPUCHBRHDF-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188967 389833155 /nfs/dbraw/zinc/83/31/55/389833155.db2.gz KKCOMPUCHBRHDF-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000433226606 389906821 /nfs/dbraw/zinc/90/68/21/389906821.db2.gz HDQQCOZGNLQTQU-JTQLQIEISA-N 1 2 280.397 0.939 20 30 CCEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2C)s1 ZINC000433226606 389906824 /nfs/dbraw/zinc/90/68/24/389906824.db2.gz HDQQCOZGNLQTQU-JTQLQIEISA-N 1 2 280.397 0.939 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433324635 389908742 /nfs/dbraw/zinc/90/87/42/389908742.db2.gz FDJZSUGHIWSADV-UHFFFAOYSA-N 1 2 269.345 0.489 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433324635 389908743 /nfs/dbraw/zinc/90/87/43/389908743.db2.gz FDJZSUGHIWSADV-UHFFFAOYSA-N 1 2 269.345 0.489 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447658691 389961901 /nfs/dbraw/zinc/96/19/01/389961901.db2.gz IXMCALOIMUCXIF-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447658691 389961904 /nfs/dbraw/zinc/96/19/04/389961904.db2.gz IXMCALOIMUCXIF-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446068024 389929880 /nfs/dbraw/zinc/92/98/80/389929880.db2.gz BVDSPBDUVYRDAY-DCAQKATOSA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446068024 389929882 /nfs/dbraw/zinc/92/98/82/389929882.db2.gz BVDSPBDUVYRDAY-DCAQKATOSA-N 1 2 269.345 0.496 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939809 390038738 /nfs/dbraw/zinc/03/87/38/390038738.db2.gz NPGHEJRNMVQSHM-RYUDHWBXSA-N 1 2 295.383 0.409 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939809 390038740 /nfs/dbraw/zinc/03/87/40/390038740.db2.gz NPGHEJRNMVQSHM-RYUDHWBXSA-N 1 2 295.383 0.409 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950904 390040243 /nfs/dbraw/zinc/04/02/43/390040243.db2.gz XPGXJWCCPDSBSK-NWDGAFQWSA-N 1 2 283.372 0.219 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950904 390040247 /nfs/dbraw/zinc/04/02/47/390040247.db2.gz XPGXJWCCPDSBSK-NWDGAFQWSA-N 1 2 283.372 0.219 20 30 CCEDLO N#CCCN(CC[C@H]1CCOC1)CC[NH+]1CCOCC1 ZINC000437576277 389994501 /nfs/dbraw/zinc/99/45/01/389994501.db2.gz JUJDXQWMKIXBPV-HNNXBMFYSA-N 1 2 281.400 0.961 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420795885 390032510 /nfs/dbraw/zinc/03/25/10/390032510.db2.gz MQCCFLVTOHKZNY-SNVBAGLBSA-N 1 2 294.380 0.750 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420795885 390032512 /nfs/dbraw/zinc/03/25/12/390032512.db2.gz MQCCFLVTOHKZNY-SNVBAGLBSA-N 1 2 294.380 0.750 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000487348417 390085790 /nfs/dbraw/zinc/08/57/90/390085790.db2.gz XVYBCAMCIJVYOY-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000491374755 390112609 /nfs/dbraw/zinc/11/26/09/390112609.db2.gz SPHONYDGCIEWFI-RYUDHWBXSA-N 1 2 262.313 0.315 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000491647171 390115403 /nfs/dbraw/zinc/11/54/03/390115403.db2.gz WVBBCHRSNYMGAB-BXKDBHETSA-N 1 2 267.354 0.325 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000491647171 390115404 /nfs/dbraw/zinc/11/54/04/390115404.db2.gz WVBBCHRSNYMGAB-BXKDBHETSA-N 1 2 267.354 0.325 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000491816956 390117004 /nfs/dbraw/zinc/11/70/04/390117004.db2.gz IMAOJKLFFPMSMS-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO CC(=O)N1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000583266006 390278688 /nfs/dbraw/zinc/27/86/88/390278688.db2.gz AZIJEBLGWRVCJW-TZMCWYRMSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)nn1 ZINC000583763269 390310106 /nfs/dbraw/zinc/31/01/06/390310106.db2.gz VHPBMXXYSLTTQJ-JTQLQIEISA-N 1 2 274.328 0.682 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)nn1 ZINC000583763269 390310111 /nfs/dbraw/zinc/31/01/11/390310111.db2.gz VHPBMXXYSLTTQJ-JTQLQIEISA-N 1 2 274.328 0.682 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000648236630 390346658 /nfs/dbraw/zinc/34/66/58/390346658.db2.gz WEJWCDSKOPAKBL-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000648236630 390346660 /nfs/dbraw/zinc/34/66/60/390346660.db2.gz WEJWCDSKOPAKBL-XQQFMLRXSA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC[C@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000645406294 390421343 /nfs/dbraw/zinc/42/13/43/390421343.db2.gz WGJLDZQMPZTGLK-LLVKDONJSA-N 1 2 277.372 0.669 20 30 CCEDLO CC#CC[C@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000645406294 390421345 /nfs/dbraw/zinc/42/13/45/390421345.db2.gz WGJLDZQMPZTGLK-LLVKDONJSA-N 1 2 277.372 0.669 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC000648899937 390439265 /nfs/dbraw/zinc/43/92/65/390439265.db2.gz CHZUYYDFTZJUHU-SNVBAGLBSA-N 1 2 272.312 0.405 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649124038 390494027 /nfs/dbraw/zinc/49/40/27/390494027.db2.gz RGARHWMVUUYAED-MCIONIFRSA-N 1 2 280.368 0.511 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000649183736 390513948 /nfs/dbraw/zinc/51/39/48/390513948.db2.gz ZCVHCXLXUQTPIL-UKRRQHHQSA-N 1 2 294.395 0.520 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000649183736 390513953 /nfs/dbraw/zinc/51/39/53/390513953.db2.gz ZCVHCXLXUQTPIL-UKRRQHHQSA-N 1 2 294.395 0.520 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646035986 390579138 /nfs/dbraw/zinc/57/91/38/390579138.db2.gz ZQRQQCOTIKFCMX-QWHCGFSZSA-N 1 2 289.397 0.203 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646035986 390579142 /nfs/dbraw/zinc/57/91/42/390579142.db2.gz ZQRQQCOTIKFCMX-QWHCGFSZSA-N 1 2 289.397 0.203 20 30 CCEDLO Cc1nc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000523441796 390636495 /nfs/dbraw/zinc/63/64/95/390636495.db2.gz QCMIQLQAYVKQPH-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1nc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000523441796 390636498 /nfs/dbraw/zinc/63/64/98/390636498.db2.gz QCMIQLQAYVKQPH-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(N)=O ZINC000566318528 390596709 /nfs/dbraw/zinc/59/67/09/390596709.db2.gz KWMVQCFKZPKQHG-LLVKDONJSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(N)=O ZINC000566318528 390596711 /nfs/dbraw/zinc/59/67/11/390596711.db2.gz KWMVQCFKZPKQHG-LLVKDONJSA-N 1 2 277.324 0.371 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000567505330 390702270 /nfs/dbraw/zinc/70/22/70/390702270.db2.gz VJCNBHMOACTVAH-GFCCVEGCSA-N 1 2 277.280 0.660 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000567505330 390702271 /nfs/dbraw/zinc/70/22/71/390702271.db2.gz VJCNBHMOACTVAH-GFCCVEGCSA-N 1 2 277.280 0.660 20 30 CCEDLO CNC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000568008708 390711984 /nfs/dbraw/zinc/71/19/84/390711984.db2.gz IARCTZXHLOCVEW-CYBMUJFWSA-N 1 2 291.351 0.631 20 30 CCEDLO CNC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568008708 390711986 /nfs/dbraw/zinc/71/19/86/390711986.db2.gz IARCTZXHLOCVEW-CYBMUJFWSA-N 1 2 291.351 0.631 20 30 CCEDLO C=CCOC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000568047653 390712341 /nfs/dbraw/zinc/71/23/41/390712341.db2.gz RRBJBFPOEXUPHB-NEPJUHHUSA-N 1 2 295.339 0.695 20 30 CCEDLO CO[C@@H]1COCC[C@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567392110 390696975 /nfs/dbraw/zinc/69/69/75/390696975.db2.gz FDQHORIZDHGITF-OUCADQQQSA-N 1 2 283.372 0.388 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000646583917 390697847 /nfs/dbraw/zinc/69/78/47/390697847.db2.gz AWIQSEKAHSWTHW-OAHLLOKOSA-N 1 2 290.363 0.757 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000646626501 390701180 /nfs/dbraw/zinc/70/11/80/390701180.db2.gz GVHSMHDSXMBDDT-GJZGRUSLSA-N 1 2 290.363 0.723 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000646638210 390702104 /nfs/dbraw/zinc/70/21/04/390702104.db2.gz LHSZYSKMNJVCKA-HUUCEWRRSA-N 1 2 290.363 0.723 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC000578232724 390872054 /nfs/dbraw/zinc/87/20/54/390872054.db2.gz GQZCTPUYCZBUIL-LLVKDONJSA-N 1 2 286.339 0.796 20 30 CCEDLO Cc1nnc(SCC(=O)NC2(C#N)CC[NH+](C)CC2)[nH]1 ZINC000530577113 390876849 /nfs/dbraw/zinc/87/68/49/390876849.db2.gz JIQXKGRWKJBMGC-UHFFFAOYSA-N 1 2 294.384 0.309 20 30 CCEDLO Cc1n[nH]c(SCC(=O)NC2(C#N)CC[NH+](C)CC2)n1 ZINC000530577113 390876850 /nfs/dbraw/zinc/87/68/50/390876850.db2.gz JIQXKGRWKJBMGC-UHFFFAOYSA-N 1 2 294.384 0.309 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000531121253 390877872 /nfs/dbraw/zinc/87/78/72/390877872.db2.gz OPKULXKRLSSVDK-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000531121253 390877875 /nfs/dbraw/zinc/87/78/75/390877875.db2.gz OPKULXKRLSSVDK-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC[S@]1=O ZINC000575046832 390832371 /nfs/dbraw/zinc/83/23/71/390832371.db2.gz JHTPPHHSSMYTNR-SUTOTMHJSA-N 1 2 293.396 0.249 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC[S@]1=O ZINC000575046832 390832375 /nfs/dbraw/zinc/83/23/75/390832375.db2.gz JHTPPHHSSMYTNR-SUTOTMHJSA-N 1 2 293.396 0.249 20 30 CCEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191172626 130195004 /nfs/dbraw/zinc/19/50/04/130195004.db2.gz NXANKIVLIQWGLZ-GFCCVEGCSA-N 1 2 281.381 0.906 20 30 CCEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191172626 130195006 /nfs/dbraw/zinc/19/50/06/130195006.db2.gz NXANKIVLIQWGLZ-GFCCVEGCSA-N 1 2 281.381 0.906 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268485596 132016063 /nfs/dbraw/zinc/01/60/63/132016063.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268485596 132016064 /nfs/dbraw/zinc/01/60/64/132016064.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268485596 132016065 /nfs/dbraw/zinc/01/60/65/132016065.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268485596 132016066 /nfs/dbraw/zinc/01/60/66/132016066.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268485596 132016067 /nfs/dbraw/zinc/01/60/67/132016067.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268485596 132016068 /nfs/dbraw/zinc/01/60/68/132016068.db2.gz OXNUVAJFIVXWSU-LLVKDONJSA-N 1 2 263.345 0.595 20 30 CCEDLO COC[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660292 132043908 /nfs/dbraw/zinc/04/39/08/132043908.db2.gz IFRZQTRMOWCWQM-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660292 132043909 /nfs/dbraw/zinc/04/39/09/132043909.db2.gz IFRZQTRMOWCWQM-CABCVRRESA-N 1 2 276.336 0.939 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330275404 292101944 /nfs/dbraw/zinc/10/19/44/292101944.db2.gz LLQWCSMTVXFBAW-JTQLQIEISA-N 1 2 264.329 0.833 20 30 CCEDLO C=CCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000649499668 397623635 /nfs/dbraw/zinc/62/36/35/397623635.db2.gz FSGAWUALALYOLF-UHFFFAOYSA-N 1 2 271.361 0.163 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548152210 286011127 /nfs/dbraw/zinc/01/11/27/286011127.db2.gz ZUAXTXYIAXWFJL-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552145528 286155257 /nfs/dbraw/zinc/15/52/57/286155257.db2.gz BCPWBQGYUNARMQ-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552145528 286155258 /nfs/dbraw/zinc/15/52/58/286155258.db2.gz BCPWBQGYUNARMQ-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000659330500 413419324 /nfs/dbraw/zinc/41/93/24/413419324.db2.gz XNXSVUUORRHXNY-CHWSQXEVSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CC(N)=O)CC(C)C)nn1 ZINC000653492526 412307181 /nfs/dbraw/zinc/30/71/81/412307181.db2.gz PYUHVZTUHIFNEN-UHFFFAOYSA-N 1 2 265.361 0.798 20 30 CCEDLO C=CCCn1cc(C[N@H+](CC(N)=O)CC(C)C)nn1 ZINC000653492526 412307182 /nfs/dbraw/zinc/30/71/82/412307182.db2.gz PYUHVZTUHIFNEN-UHFFFAOYSA-N 1 2 265.361 0.798 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(CO)(OC)CC2)nn1 ZINC000653647252 412329440 /nfs/dbraw/zinc/32/94/40/412329440.db2.gz BBOSKTOGAUVZFH-UHFFFAOYSA-N 1 2 280.372 0.828 20 30 CCEDLO N#Cc1ccnc(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000285516438 196312209 /nfs/dbraw/zinc/31/22/09/196312209.db2.gz GICKTNURNBGOCR-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO C=CCOCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000660345020 414258772 /nfs/dbraw/zinc/25/87/72/414258772.db2.gz KTTHXTNEEBFITL-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850436 414508025 /nfs/dbraw/zinc/50/80/25/414508025.db2.gz MTEQJXKGTCTCLQ-SNVBAGLBSA-N 1 2 280.328 0.796 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850436 414508029 /nfs/dbraw/zinc/50/80/29/414508029.db2.gz MTEQJXKGTCTCLQ-SNVBAGLBSA-N 1 2 280.328 0.796 20 30 CCEDLO C=CCOCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664388712 415371375 /nfs/dbraw/zinc/37/13/75/415371375.db2.gz SPDWUFMCMAAHNX-UHFFFAOYSA-N 1 2 262.317 0.950 20 30 CCEDLO C=CC[N@@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171747866 335077342 /nfs/dbraw/zinc/07/73/42/335077342.db2.gz FVNRQYSIQVXCCE-LBPRGKRZSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171747866 335077343 /nfs/dbraw/zinc/07/73/43/335077343.db2.gz FVNRQYSIQVXCCE-LBPRGKRZSA-N 1 2 288.413 0.576 20 30 CCEDLO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329028787 227263426 /nfs/dbraw/zinc/26/34/26/227263426.db2.gz KRHUPGSBCFHSHH-NSHDSACASA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329028787 227263428 /nfs/dbraw/zinc/26/34/28/227263428.db2.gz KRHUPGSBCFHSHH-NSHDSACASA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329028787 227263430 /nfs/dbraw/zinc/26/34/30/227263430.db2.gz KRHUPGSBCFHSHH-NSHDSACASA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329028787 227263432 /nfs/dbraw/zinc/26/34/32/227263432.db2.gz KRHUPGSBCFHSHH-NSHDSACASA-N 1 2 293.371 0.588 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CC[C@H](O)C12CCCC2 ZINC000330353040 228164050 /nfs/dbraw/zinc/16/40/50/228164050.db2.gz NZHNUDXULKXCNY-ZDUSSCGKSA-N 1 2 297.399 0.612 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000328921725 545019941 /nfs/dbraw/zinc/01/99/41/545019941.db2.gz MFFGERMVSIDCMG-UHFFFAOYSA-N 1 2 284.360 0.283 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCNC(=O)C1 ZINC000328921725 545019942 /nfs/dbraw/zinc/01/99/42/545019942.db2.gz MFFGERMVSIDCMG-UHFFFAOYSA-N 1 2 284.360 0.283 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCO[C@H]1C ZINC000329185635 545021333 /nfs/dbraw/zinc/02/13/33/545021333.db2.gz ANFTXNNKZOQENO-FQUUOJAGSA-N 1 2 297.399 0.873 20 30 CCEDLO CN1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC000329301756 545021619 /nfs/dbraw/zinc/02/16/19/545021619.db2.gz WKUWQOKITJSHRV-SNVBAGLBSA-N 1 2 250.302 0.920 20 30 CCEDLO CN1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC000329301756 545021623 /nfs/dbraw/zinc/02/16/23/545021623.db2.gz WKUWQOKITJSHRV-SNVBAGLBSA-N 1 2 250.302 0.920 20 30 CCEDLO Cc1nc(N[C@@H](CO)C[NH+]2CCOCC2)ccc1C#N ZINC000601177326 420492985 /nfs/dbraw/zinc/49/29/85/420492985.db2.gz UKIAZULVBLLHMW-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357298724 260176496 /nfs/dbraw/zinc/17/64/96/260176496.db2.gz FBRFZEOSVKQKHC-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357298724 260176497 /nfs/dbraw/zinc/17/64/97/260176497.db2.gz FBRFZEOSVKQKHC-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000408114613 260240462 /nfs/dbraw/zinc/24/04/62/260240462.db2.gz YMOXRPXEKRNIHO-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCOCC1)C1CC1 ZINC000363436609 260258607 /nfs/dbraw/zinc/25/86/07/260258607.db2.gz NIKCOFAYHQHRFE-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCOCC1)C1CC1 ZINC000363436609 260258609 /nfs/dbraw/zinc/25/86/09/260258609.db2.gz NIKCOFAYHQHRFE-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO Cc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000517911166 260316710 /nfs/dbraw/zinc/31/67/10/260316710.db2.gz OTKPUSCDQXEJMK-GFCCVEGCSA-N 1 2 250.302 0.865 20 30 CCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448897274 261142908 /nfs/dbraw/zinc/14/29/08/261142908.db2.gz QBGNHYJJSLOGPI-SMDDNHRTSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448897274 261142909 /nfs/dbraw/zinc/14/29/09/261142909.db2.gz QBGNHYJJSLOGPI-SMDDNHRTSA-N 1 2 265.357 0.763 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000249056693 261238009 /nfs/dbraw/zinc/23/80/09/261238009.db2.gz MZJHRYQRHVQYLF-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000249056693 261238012 /nfs/dbraw/zinc/23/80/12/261238012.db2.gz MZJHRYQRHVQYLF-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000171287377 261460896 /nfs/dbraw/zinc/46/08/96/261460896.db2.gz VYHOCHZMMKVNFM-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000171287377 261460897 /nfs/dbraw/zinc/46/08/97/261460897.db2.gz VYHOCHZMMKVNFM-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000526056885 261633189 /nfs/dbraw/zinc/63/31/89/261633189.db2.gz HNZHOVMALUCUPK-SNVBAGLBSA-N 1 2 273.340 0.719 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000526056885 261633191 /nfs/dbraw/zinc/63/31/91/261633191.db2.gz HNZHOVMALUCUPK-SNVBAGLBSA-N 1 2 273.340 0.719 20 30 CCEDLO CN(CC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365107935 262278883 /nfs/dbraw/zinc/27/88/83/262278883.db2.gz AHCZWGLHFAKXTI-LBPRGKRZSA-N 1 2 251.330 0.612 20 30 CCEDLO CN(CC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365107935 262278885 /nfs/dbraw/zinc/27/88/85/262278885.db2.gz AHCZWGLHFAKXTI-LBPRGKRZSA-N 1 2 251.330 0.612 20 30 CCEDLO C#CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365568140 262370742 /nfs/dbraw/zinc/37/07/42/262370742.db2.gz YKZJULIRNASEJJ-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365568140 262370744 /nfs/dbraw/zinc/37/07/44/262370744.db2.gz YKZJULIRNASEJJ-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO CNS(=O)(=O)CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336677144 262378910 /nfs/dbraw/zinc/37/89/10/262378910.db2.gz AXHMKSIOSBEOGZ-SNVBAGLBSA-N 1 2 259.375 0.550 20 30 CCEDLO CNS(=O)(=O)CCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000336677144 262378911 /nfs/dbraw/zinc/37/89/11/262378911.db2.gz AXHMKSIOSBEOGZ-SNVBAGLBSA-N 1 2 259.375 0.550 20 30 CCEDLO NC(CCO)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000274363669 263023669 /nfs/dbraw/zinc/02/36/69/263023669.db2.gz OEIWCSGVUZWOLZ-UHFFFAOYSA-N 1 2 297.267 0.633 20 30 CCEDLO N#CCN1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000276448078 263036673 /nfs/dbraw/zinc/03/66/73/263036673.db2.gz LKYKSFLFWWICJP-UHFFFAOYSA-N 1 2 286.335 0.659 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414827520 263055829 /nfs/dbraw/zinc/05/58/29/263055829.db2.gz XRZJKDSTQFGIRG-UHFFFAOYSA-N 1 2 274.324 0.857 20 30 CCEDLO COc1nc(C)cc(C)c1CO[NH+]=C(N)CCO ZINC000288674901 263105523 /nfs/dbraw/zinc/10/55/23/263105523.db2.gz SGIUEHSLFNXDMB-UHFFFAOYSA-N 1 2 253.302 0.878 20 30 CCEDLO CN(C)C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000289354137 263109618 /nfs/dbraw/zinc/10/96/18/263109618.db2.gz HRLKPZZXXSLMFP-UHFFFAOYSA-N 1 2 257.240 0.690 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2cnnn2C)cc1 ZINC000289446299 263110196 /nfs/dbraw/zinc/11/01/96/263110196.db2.gz UISBSBDIZIGWKM-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000121153302 263290041 /nfs/dbraw/zinc/29/00/41/263290041.db2.gz GCKZIBNACCWXHZ-MNOVXSKESA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[N@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000121153302 263290044 /nfs/dbraw/zinc/29/00/44/263290044.db2.gz GCKZIBNACCWXHZ-MNOVXSKESA-N 1 2 274.386 0.138 20 30 CCEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000122404725 263302558 /nfs/dbraw/zinc/30/25/58/263302558.db2.gz NPEMSXBWXBLOMJ-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000122404725 263302561 /nfs/dbraw/zinc/30/25/61/263302561.db2.gz NPEMSXBWXBLOMJ-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C[C@H]1C[C@@H]1C ZINC000341104424 263322457 /nfs/dbraw/zinc/32/24/57/263322457.db2.gz UARWDBVFZWPWSX-QWHCGFSZSA-N 1 2 279.384 0.549 20 30 CCEDLO COCC1(C#N)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000341976976 263369141 /nfs/dbraw/zinc/36/91/41/263369141.db2.gz LQDGXBKVQQFCIB-UHFFFAOYSA-N 1 2 261.329 0.641 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981985 263369688 /nfs/dbraw/zinc/36/96/88/263369688.db2.gz COCGGHRZNXRIPB-SNVBAGLBSA-N 1 2 282.344 0.083 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960630521 649856502 /nfs/dbraw/zinc/85/65/02/649856502.db2.gz OWRXMWPLNRDZHB-ZZVYKPCYSA-N 1 2 285.351 0.015 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)C1 ZINC000330714224 264022240 /nfs/dbraw/zinc/02/22/40/264022240.db2.gz ZQOMZGQHTGOZIY-BETUJISGSA-N 1 2 298.431 0.898 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)C1 ZINC000330714224 264022241 /nfs/dbraw/zinc/02/22/41/264022241.db2.gz ZQOMZGQHTGOZIY-BETUJISGSA-N 1 2 298.431 0.898 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000330937990 264081949 /nfs/dbraw/zinc/08/19/49/264081949.db2.gz BCJUCJFBPFIQPF-VHSXEESVSA-N 1 2 295.343 0.518 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000330937990 264081951 /nfs/dbraw/zinc/08/19/51/264081951.db2.gz BCJUCJFBPFIQPF-VHSXEESVSA-N 1 2 295.343 0.518 20 30 CCEDLO CC(C)(C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330942211 264083569 /nfs/dbraw/zinc/08/35/69/264083569.db2.gz GHMSPWYOYOGDGB-UHFFFAOYSA-N 1 2 295.387 0.762 20 30 CCEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nn1C ZINC000331061189 264111052 /nfs/dbraw/zinc/11/10/52/264111052.db2.gz OBMRYKAWUXHIRZ-JTQLQIEISA-N 1 2 282.344 0.454 20 30 CCEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nn1C ZINC000331061189 264111055 /nfs/dbraw/zinc/11/10/55/264111055.db2.gz OBMRYKAWUXHIRZ-JTQLQIEISA-N 1 2 282.344 0.454 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000331197971 264159443 /nfs/dbraw/zinc/15/94/43/264159443.db2.gz SYCMEECHEQYKIC-MNOVXSKESA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000331197971 264159444 /nfs/dbraw/zinc/15/94/44/264159444.db2.gz SYCMEECHEQYKIC-MNOVXSKESA-N 1 2 251.330 0.658 20 30 CCEDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)nn1C ZINC000331258556 264183688 /nfs/dbraw/zinc/18/36/88/264183688.db2.gz FUMZLOVFQQCAKV-UHFFFAOYSA-N 1 2 295.387 0.587 20 30 CCEDLO Cc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)nn1C ZINC000331258556 264183691 /nfs/dbraw/zinc/18/36/91/264183691.db2.gz FUMZLOVFQQCAKV-UHFFFAOYSA-N 1 2 295.387 0.587 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCCn1cc[nH+]c1 ZINC000160171523 264232538 /nfs/dbraw/zinc/23/25/38/264232538.db2.gz DJVHHBSUXPFDIY-UHFFFAOYSA-N 1 2 251.315 0.746 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000334033101 264233806 /nfs/dbraw/zinc/23/38/06/264233806.db2.gz RCORRNBDLMNASG-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000334033101 264233807 /nfs/dbraw/zinc/23/38/07/264233807.db2.gz RCORRNBDLMNASG-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343263094 264261882 /nfs/dbraw/zinc/26/18/82/264261882.db2.gz HDBORUXOXJZYKN-IUODEOHRSA-N 1 2 296.415 0.887 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343263094 264261884 /nfs/dbraw/zinc/26/18/84/264261884.db2.gz HDBORUXOXJZYKN-IUODEOHRSA-N 1 2 296.415 0.887 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000076833763 264344103 /nfs/dbraw/zinc/34/41/03/264344103.db2.gz OMWFCMQYXWNCAY-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000076833763 264344104 /nfs/dbraw/zinc/34/41/04/264344104.db2.gz OMWFCMQYXWNCAY-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN1C[C@@H]([NH2+]Cc2nc(C#N)cs2)CC1=O ZINC000391575132 266159266 /nfs/dbraw/zinc/15/92/66/266159266.db2.gz XUOJDYLBBHGKPT-QMMMGPOBSA-N 1 2 250.327 0.725 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)N(C)CCC#N ZINC000357000686 266228992 /nfs/dbraw/zinc/22/89/92/266228992.db2.gz LNSVQRIYPGYYMA-UHFFFAOYSA-N 1 2 255.318 0.290 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C#N ZINC000362734643 267040345 /nfs/dbraw/zinc/04/03/45/267040345.db2.gz NNWHEGGICVGCSR-JQWIXIFHSA-N 1 2 291.355 0.511 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C#N ZINC000362734643 267040350 /nfs/dbraw/zinc/04/03/50/267040350.db2.gz NNWHEGGICVGCSR-JQWIXIFHSA-N 1 2 291.355 0.511 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000331049584 267067919 /nfs/dbraw/zinc/06/79/19/267067919.db2.gz HSTLUNJBYABCTJ-LLVKDONJSA-N 1 2 274.324 0.979 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000331049584 267067921 /nfs/dbraw/zinc/06/79/21/267067921.db2.gz HSTLUNJBYABCTJ-LLVKDONJSA-N 1 2 274.324 0.979 20 30 CCEDLO C#CCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000368620461 267190944 /nfs/dbraw/zinc/19/09/44/267190944.db2.gz ZQMPPMOVKCQROH-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2 ZINC000369207673 267226411 /nfs/dbraw/zinc/22/64/11/267226411.db2.gz ZVSBPXDANRTRPF-SNVBAGLBSA-N 1 2 297.384 0.343 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000369623691 267255615 /nfs/dbraw/zinc/25/56/15/267255615.db2.gz WSHQTGABDYLIMB-LLVKDONJSA-N 1 2 278.356 0.942 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000369623691 267255616 /nfs/dbraw/zinc/25/56/16/267255616.db2.gz WSHQTGABDYLIMB-LLVKDONJSA-N 1 2 278.356 0.942 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000370426917 267317665 /nfs/dbraw/zinc/31/76/65/267317665.db2.gz ZSFQKKCJQGYCNQ-LBPRGKRZSA-N 1 2 263.341 0.613 20 30 CCEDLO C[C@@H]1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)=NO1 ZINC000377095493 268047586 /nfs/dbraw/zinc/04/75/86/268047586.db2.gz YTUPIGASEZZDQG-PWSUYJOCSA-N 1 2 281.356 0.868 20 30 CCEDLO C[C@@H]1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)=NO1 ZINC000377095493 268047587 /nfs/dbraw/zinc/04/75/87/268047587.db2.gz YTUPIGASEZZDQG-PWSUYJOCSA-N 1 2 281.356 0.868 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000174528920 277682863 /nfs/dbraw/zinc/68/28/63/277682863.db2.gz KGDKWFXNPHDZBX-CQSZACIVSA-N 1 2 290.363 0.499 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000270616831 279538267 /nfs/dbraw/zinc/53/82/67/279538267.db2.gz ODGJVOVAJXRNLZ-AWEZNQCLSA-N 1 2 299.378 0.744 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000737048953 581891840 /nfs/dbraw/zinc/89/18/40/581891840.db2.gz HOAFDYTWSLIRFZ-SNVBAGLBSA-N 1 2 261.753 0.759 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000737048953 581891842 /nfs/dbraw/zinc/89/18/42/581891842.db2.gz HOAFDYTWSLIRFZ-SNVBAGLBSA-N 1 2 261.753 0.759 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C[N@@H+]1C ZINC000350971834 297062539 /nfs/dbraw/zinc/06/25/39/297062539.db2.gz OLTNJNBAHZLVIU-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C[N@H+]1C ZINC000350971834 297062541 /nfs/dbraw/zinc/06/25/41/297062541.db2.gz OLTNJNBAHZLVIU-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO O=C1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCN1 ZINC000329694092 295389676 /nfs/dbraw/zinc/38/96/76/295389676.db2.gz AXDLVYVTHVOBFC-VIFPVBQESA-N 1 2 277.328 0.843 20 30 CCEDLO O=C1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCN1 ZINC000329694092 295389677 /nfs/dbraw/zinc/38/96/77/295389677.db2.gz AXDLVYVTHVOBFC-VIFPVBQESA-N 1 2 277.328 0.843 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352479099 298121936 /nfs/dbraw/zinc/12/19/36/298121936.db2.gz ANFMNGBQIUJMLZ-SECBINFHSA-N 1 2 282.319 0.691 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000225803458 300214520 /nfs/dbraw/zinc/21/45/20/300214520.db2.gz APSBADCXXVTGTR-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000225803458 300214523 /nfs/dbraw/zinc/21/45/23/300214523.db2.gz APSBADCXXVTGTR-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)nnn1C(C)C ZINC000330255447 533698300 /nfs/dbraw/zinc/69/83/00/533698300.db2.gz PQYQMIJZCMDPNG-LLVKDONJSA-N 1 2 281.360 0.803 20 30 CCEDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)nnn1C(C)C ZINC000330255447 533698310 /nfs/dbraw/zinc/69/83/10/533698310.db2.gz PQYQMIJZCMDPNG-LLVKDONJSA-N 1 2 281.360 0.803 20 30 CCEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC#N ZINC000170777940 327659819 /nfs/dbraw/zinc/65/98/19/327659819.db2.gz NCLGHRWNIRIPOH-ZDUSSCGKSA-N 1 2 287.367 0.574 20 30 CCEDLO CCC(=O)N1CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000563220991 327979815 /nfs/dbraw/zinc/97/98/15/327979815.db2.gz YGVJDSUZZJQLEL-BXUZGUMPSA-N 1 2 280.372 0.205 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncn(-c2ccccc2)n1 ZINC000563583342 328074729 /nfs/dbraw/zinc/07/47/29/328074729.db2.gz WDZYHNVULAMKGD-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000267113650 328173090 /nfs/dbraw/zinc/17/30/90/328173090.db2.gz YEXCVAUUXPNRBN-MRVPVSSYSA-N 1 2 294.277 0.999 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000267113650 328173091 /nfs/dbraw/zinc/17/30/91/328173091.db2.gz YEXCVAUUXPNRBN-MRVPVSSYSA-N 1 2 294.277 0.999 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(N)=O ZINC000048871622 328323753 /nfs/dbraw/zinc/32/37/53/328323753.db2.gz PGLYEMGTPWVMCL-SNVBAGLBSA-N 1 2 266.345 0.135 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(N)=O ZINC000048871622 328323755 /nfs/dbraw/zinc/32/37/55/328323755.db2.gz PGLYEMGTPWVMCL-SNVBAGLBSA-N 1 2 266.345 0.135 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000341426126 328410017 /nfs/dbraw/zinc/41/00/17/328410017.db2.gz ABBXGGXGAQVKBC-SNVBAGLBSA-N 1 2 293.323 0.330 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000330712882 328469396 /nfs/dbraw/zinc/46/93/96/328469396.db2.gz WMVHJECXOBISIO-CMPLNLGQSA-N 1 2 271.386 0.469 20 30 CCEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000289968192 328527799 /nfs/dbraw/zinc/52/77/99/328527799.db2.gz IYCMKXAXDSSXGM-ZDUSSCGKSA-N 1 2 272.348 0.693 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000558898588 327130390 /nfs/dbraw/zinc/13/03/90/327130390.db2.gz GTXOADVSLMEVNH-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000408149704 327130523 /nfs/dbraw/zinc/13/05/23/327130523.db2.gz JOMXIIMVCNMSLD-UHFFFAOYSA-N 1 2 271.386 0.790 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[NH2+]CC1(C#N)CC1 ZINC000559333468 327161700 /nfs/dbraw/zinc/16/17/00/327161700.db2.gz ZBGGYUQMGFFZLG-UHFFFAOYSA-N 1 2 262.313 0.990 20 30 CCEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579480286 327378458 /nfs/dbraw/zinc/37/84/58/327378458.db2.gz BMUSWLSWRCIWFY-SMDDNHRTSA-N 1 2 277.372 0.559 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000357312733 328868897 /nfs/dbraw/zinc/86/88/97/328868897.db2.gz YERIGCPZPFWQEX-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178331221 329198785 /nfs/dbraw/zinc/19/87/85/329198785.db2.gz WAWOSEUGQJKCCZ-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178331221 329198787 /nfs/dbraw/zinc/19/87/87/329198787.db2.gz WAWOSEUGQJKCCZ-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000189087062 329375636 /nfs/dbraw/zinc/37/56/36/329375636.db2.gz FMAOQFSQWFRZAL-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000189087062 329375638 /nfs/dbraw/zinc/37/56/38/329375638.db2.gz FMAOQFSQWFRZAL-VXGBXAGGSA-N 1 2 289.401 0.007 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000057915329 329678275 /nfs/dbraw/zinc/67/82/75/329678275.db2.gz ZWJPNDIJOZPSAF-JTQLQIEISA-N 1 2 261.316 0.560 20 30 CCEDLO C#CCNC(=O)[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000279105619 330122013 /nfs/dbraw/zinc/12/20/13/330122013.db2.gz QIGNMEYGIKCRDG-MRVPVSSYSA-N 1 2 264.354 0.851 20 30 CCEDLO C[C@@H](O)C[N@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000451839908 331044383 /nfs/dbraw/zinc/04/43/83/331044383.db2.gz SBYGEWXGRHUVCW-SNVBAGLBSA-N 1 2 277.315 0.696 20 30 CCEDLO C[C@@H](O)C[N@@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000451839908 331044384 /nfs/dbraw/zinc/04/43/84/331044384.db2.gz SBYGEWXGRHUVCW-SNVBAGLBSA-N 1 2 277.315 0.696 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457443535 331223099 /nfs/dbraw/zinc/22/30/99/331223099.db2.gz SKDPACUPFSHBOS-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000489479698 332055199 /nfs/dbraw/zinc/05/51/99/332055199.db2.gz RHOCLRJQDXYRHJ-CYBMUJFWSA-N 1 2 290.429 0.840 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000489627787 332061980 /nfs/dbraw/zinc/06/19/80/332061980.db2.gz UAORDQDLWKYHGK-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000489627787 332061981 /nfs/dbraw/zinc/06/19/81/332061981.db2.gz UAORDQDLWKYHGK-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO Cc1nc(N(C)C)nc(NCC2CCN(CC#N)CC2)[nH+]1 ZINC000490097212 332081447 /nfs/dbraw/zinc/08/14/47/332081447.db2.gz ABHHQIZCERXOLK-UHFFFAOYSA-N 1 2 289.387 0.315 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCCCn1cc[nH+]c1 ZINC000490700639 332106126 /nfs/dbraw/zinc/10/61/26/332106126.db2.gz UFOACSMREIMWIS-UHFFFAOYSA-N 1 2 258.325 0.941 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000490852756 332120741 /nfs/dbraw/zinc/12/07/41/332120741.db2.gz MUXGJADFYPJWPT-CYBMUJFWSA-N 1 2 255.321 0.931 20 30 CCEDLO C#C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(C)C ZINC000490951793 332133001 /nfs/dbraw/zinc/13/30/01/332133001.db2.gz ZXYZKKVXPISQCV-CYBMUJFWSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C(CC)(CC)C(=O)OC ZINC000491066118 332143983 /nfs/dbraw/zinc/14/39/83/332143983.db2.gz BKNPVRRJGJBEHJ-UHFFFAOYSA-N 1 2 254.330 0.447 20 30 CCEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000491203308 332165294 /nfs/dbraw/zinc/16/52/94/332165294.db2.gz VALPHPYQLOAQHZ-AAOUONPWSA-N 1 2 293.348 0.072 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491242712 332173201 /nfs/dbraw/zinc/17/32/01/332173201.db2.gz RVTWHGBTHIGKIW-NEPJUHHUSA-N 1 2 259.371 0.126 20 30 CCEDLO C#CC[N@H+](C[C@H](O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491242712 332173202 /nfs/dbraw/zinc/17/32/02/332173202.db2.gz RVTWHGBTHIGKIW-NEPJUHHUSA-N 1 2 259.371 0.126 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491298178 332184908 /nfs/dbraw/zinc/18/49/08/332184908.db2.gz UNQDTZXMINZNPZ-LBPRGKRZSA-N 1 2 298.302 0.133 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1cccc2[nH]nnc21 ZINC000491349551 332194817 /nfs/dbraw/zinc/19/48/17/332194817.db2.gz IVTCRRJFRSBGBG-UHFFFAOYSA-N 1 2 271.324 0.643 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1cccc2[nH]nnc21 ZINC000491349551 332194819 /nfs/dbraw/zinc/19/48/19/332194819.db2.gz IVTCRRJFRSBGBG-UHFFFAOYSA-N 1 2 271.324 0.643 20 30 CCEDLO C#C[C@H](C)N(C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000491514126 332226576 /nfs/dbraw/zinc/22/65/76/332226576.db2.gz GWFTXZHIQOKAHO-NSHDSACASA-N 1 2 273.340 0.213 20 30 CCEDLO C#C[C@H](C)N(C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000491514126 332226577 /nfs/dbraw/zinc/22/65/77/332226577.db2.gz GWFTXZHIQOKAHO-NSHDSACASA-N 1 2 273.340 0.213 20 30 CCEDLO C#C[C@H](CCC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491516184 332227698 /nfs/dbraw/zinc/22/76/98/332227698.db2.gz ROCGTASMILDZDM-CYBMUJFWSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000491538209 332232992 /nfs/dbraw/zinc/23/29/92/332232992.db2.gz XKNBOTZKPLDMBK-ZIAGYGMSSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000491538209 332232993 /nfs/dbraw/zinc/23/29/93/332232993.db2.gz XKNBOTZKPLDMBK-ZIAGYGMSSA-N 1 2 291.395 0.316 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000491615060 332242703 /nfs/dbraw/zinc/24/27/03/332242703.db2.gz ANVATZYSSQWNDV-OLZOCXBDSA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000491615060 332242705 /nfs/dbraw/zinc/24/27/05/332242705.db2.gz ANVATZYSSQWNDV-OLZOCXBDSA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)/C=C\c1[nH+]ccn1CC ZINC000491640848 332260534 /nfs/dbraw/zinc/26/05/34/332260534.db2.gz PEHZQBZBKDBGPR-FJOGCWAESA-N 1 2 259.309 0.777 20 30 CCEDLO C#C[C@H](CC)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000491645579 332263295 /nfs/dbraw/zinc/26/32/95/332263295.db2.gz PAQVZUNRXZZUQS-CQSZACIVSA-N 1 2 286.379 0.732 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000491705897 332298839 /nfs/dbraw/zinc/29/88/39/332298839.db2.gz MJQSJASLCNUGAX-QWRGUYRKSA-N 1 2 259.309 0.690 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H]3CCC[C@@H]3C2=O)CC1 ZINC000491706998 332299894 /nfs/dbraw/zinc/29/98/94/332299894.db2.gz KZMVHIVANVCXEL-KBPBESRZSA-N 1 2 261.369 0.453 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491739533 332318865 /nfs/dbraw/zinc/31/88/65/332318865.db2.gz DFDWBUCRPZCXSF-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000491749426 332326467 /nfs/dbraw/zinc/32/64/67/332326467.db2.gz ZHLQLNOVCVCPFC-GFCCVEGCSA-N 1 2 259.309 0.986 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491807810 332360761 /nfs/dbraw/zinc/36/07/61/332360761.db2.gz TTXSTTJUVMNWCN-OLZOCXBDSA-N 1 2 288.351 0.915 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@H](C#N)C1 ZINC000492298757 332391300 /nfs/dbraw/zinc/39/13/00/332391300.db2.gz LDUQMIALMKAOBP-DLRQAJBASA-N 1 2 260.297 0.667 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(-n2cccn2)c1 ZINC000575805597 335117429 /nfs/dbraw/zinc/11/74/29/335117429.db2.gz MJEVQWCLJJAGIQ-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000516699374 333081050 /nfs/dbraw/zinc/08/10/50/333081050.db2.gz LNOZYOZFBRDZIC-KCQAQPDRSA-N 1 2 297.399 0.921 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517478885 333100344 /nfs/dbraw/zinc/10/03/44/333100344.db2.gz LNFMEVFKKUVOIP-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517478885 333100345 /nfs/dbraw/zinc/10/03/45/333100345.db2.gz LNFMEVFKKUVOIP-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000521115948 333111976 /nfs/dbraw/zinc/11/19/76/333111976.db2.gz BWYAJDBBTPNCLR-LLVKDONJSA-N 1 2 288.307 0.326 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185279726 333137906 /nfs/dbraw/zinc/13/79/06/333137906.db2.gz IDAQGAZDUYNOTF-HXPMCKFVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185279726 333137907 /nfs/dbraw/zinc/13/79/07/333137907.db2.gz IDAQGAZDUYNOTF-HXPMCKFVSA-N 1 2 284.425 0.747 20 30 CCEDLO C=CCN(Cc1cccs1)C(=O)CN1CC[NH2+]CC1=O ZINC000236658607 333374449 /nfs/dbraw/zinc/37/44/49/333374449.db2.gz QMEAZOIGVSUUOU-UHFFFAOYSA-N 1 2 293.392 0.695 20 30 CCEDLO CCn1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000572529689 333384461 /nfs/dbraw/zinc/38/44/61/333384461.db2.gz QQCVIJMFCHCAFP-ZDUSSCGKSA-N 1 2 263.345 0.406 20 30 CCEDLO Cc1cnccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000528519097 333443899 /nfs/dbraw/zinc/44/38/99/333443899.db2.gz LOLWTPSJJKBUEF-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000539432005 333671093 /nfs/dbraw/zinc/67/10/93/333671093.db2.gz JXMNQEBMIRDYJY-NXEZZACHSA-N 1 2 260.297 0.581 20 30 CCEDLO N#CCCN(CCN1CCCC1=O)CC[NH+]1CCOCC1 ZINC000081211942 334180950 /nfs/dbraw/zinc/18/09/50/334180950.db2.gz QNMDGQXOKUFAQT-UHFFFAOYSA-N 1 2 294.399 0.157 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249570456 334337017 /nfs/dbraw/zinc/33/70/17/334337017.db2.gz OCMZSBKESSNDJB-CHWSQXEVSA-N 1 2 279.384 0.773 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249570456 334337019 /nfs/dbraw/zinc/33/70/19/334337019.db2.gz OCMZSBKESSNDJB-CHWSQXEVSA-N 1 2 279.384 0.773 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000553130190 334363704 /nfs/dbraw/zinc/36/37/04/334363704.db2.gz ITPSKTKXJHFACK-NSHDSACASA-N 1 2 284.323 0.616 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000555482946 334479710 /nfs/dbraw/zinc/47/97/10/334479710.db2.gz OQBKAGJXLAPVMF-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOC[C@@H]1CCCO1 ZINC000566309928 334642137 /nfs/dbraw/zinc/64/21/37/334642137.db2.gz YCKFJFUWLJCVRL-GXTWGEPZSA-N 1 2 283.372 0.532 20 30 CCEDLO Cn1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000566976788 334671658 /nfs/dbraw/zinc/67/16/58/334671658.db2.gz POCSWLZTGYKAPO-GFCCVEGCSA-N 1 2 279.300 0.507 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577067047 335294818 /nfs/dbraw/zinc/29/48/18/335294818.db2.gz WBNNQESJJQWWLG-SNVBAGLBSA-N 1 2 264.285 0.359 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@]2(C)C[C@@H]2F)c1C#N ZINC000577275942 335333475 /nfs/dbraw/zinc/33/34/75/335333475.db2.gz LQBQCYFYKRKVPJ-GXFFZTMASA-N 1 2 279.319 0.542 20 30 CCEDLO COCCn1nnc2c1CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000577400438 335348748 /nfs/dbraw/zinc/34/87/48/335348748.db2.gz RBJNDNXVXZAUOD-LLVKDONJSA-N 1 2 263.345 0.975 20 30 CCEDLO COCCn1nnc2c1CC[N@H+]([C@H](C)CCC#N)C2 ZINC000577400438 335348749 /nfs/dbraw/zinc/34/87/49/335348749.db2.gz RBJNDNXVXZAUOD-LLVKDONJSA-N 1 2 263.345 0.975 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581710089 336134005 /nfs/dbraw/zinc/13/40/05/336134005.db2.gz FNFGEKAVVYJKPL-RQJABVFESA-N 1 2 280.368 0.557 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581710089 336134007 /nfs/dbraw/zinc/13/40/07/336134007.db2.gz FNFGEKAVVYJKPL-RQJABVFESA-N 1 2 280.368 0.557 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184726135 526166345 /nfs/dbraw/zinc/16/63/45/526166345.db2.gz BNQILRSOKVQZIO-RAIGVLPGSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184726135 526166362 /nfs/dbraw/zinc/16/63/62/526166362.db2.gz BNQILRSOKVQZIO-RAIGVLPGSA-N 1 2 289.335 0.313 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352270961 526487027 /nfs/dbraw/zinc/48/70/27/526487027.db2.gz LZEVIENAFXIZNP-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352270961 526487029 /nfs/dbraw/zinc/48/70/29/526487029.db2.gz LZEVIENAFXIZNP-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)o1 ZINC000308687621 527086677 /nfs/dbraw/zinc/08/66/77/527086677.db2.gz FICYNXGHBQAFQJ-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO C=C[C@@H](O)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000667874057 545158057 /nfs/dbraw/zinc/15/80/57/545158057.db2.gz VZULAWASQZNKEN-MRVPVSSYSA-N 1 2 268.317 0.029 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668688495 545187395 /nfs/dbraw/zinc/18/73/95/545187395.db2.gz OSINPVUWHBTNDB-HNNXBMFYSA-N 1 2 283.416 0.408 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668688495 545187396 /nfs/dbraw/zinc/18/73/96/545187396.db2.gz OSINPVUWHBTNDB-HNNXBMFYSA-N 1 2 283.416 0.408 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000669697149 545219602 /nfs/dbraw/zinc/21/96/02/545219602.db2.gz OAVFZDKTQVZJIB-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000669697149 545219603 /nfs/dbraw/zinc/21/96/03/545219603.db2.gz OAVFZDKTQVZJIB-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCOC1 ZINC000329238016 528527125 /nfs/dbraw/zinc/52/71/25/528527125.db2.gz KTKKEUNKNVMYRY-OCCSQVGLSA-N 1 2 285.388 0.780 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCOC1 ZINC000329238016 528527131 /nfs/dbraw/zinc/52/71/31/528527131.db2.gz KTKKEUNKNVMYRY-OCCSQVGLSA-N 1 2 285.388 0.780 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796524 528718591 /nfs/dbraw/zinc/71/85/91/528718591.db2.gz WECPQPZFGRYGQG-NXEZZACHSA-N 1 2 266.345 0.845 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000331796524 528718592 /nfs/dbraw/zinc/71/85/92/528718592.db2.gz WECPQPZFGRYGQG-NXEZZACHSA-N 1 2 266.345 0.845 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCOC)CC1 ZINC000352864322 529346995 /nfs/dbraw/zinc/34/69/95/529346995.db2.gz ULPACHNUHNIXRN-CYBMUJFWSA-N 1 2 253.346 0.717 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352584801 529349197 /nfs/dbraw/zinc/34/91/97/529349197.db2.gz WHCVJQJHPMYJSN-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352584801 529349199 /nfs/dbraw/zinc/34/91/99/529349199.db2.gz WHCVJQJHPMYJSN-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1cc(C#N)ncn1 ZINC000515550971 535361037 /nfs/dbraw/zinc/36/10/37/535361037.db2.gz FPIRRSYESKJZGJ-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1cc(C#N)ncn1 ZINC000515550971 535361041 /nfs/dbraw/zinc/36/10/41/535361041.db2.gz FPIRRSYESKJZGJ-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000683528909 545543581 /nfs/dbraw/zinc/54/35/81/545543581.db2.gz FQOHZSFDWFGKDF-GFCCVEGCSA-N 1 2 261.387 0.823 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000961833236 649883835 /nfs/dbraw/zinc/88/38/35/649883835.db2.gz MMYWTWKYLDLWHW-SSKLVLDBSA-N 1 2 285.351 0.094 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)C(=O)OC)CC1 ZINC000778314714 581150911 /nfs/dbraw/zinc/15/09/11/581150911.db2.gz IRDKFMMLHPGFKG-SNVBAGLBSA-N 1 2 281.308 0.005 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](CO)C(=C)C)n1 ZINC000789317232 581141900 /nfs/dbraw/zinc/14/19/00/581141900.db2.gz JOSRVNUGPBQFBB-OAHLLOKOSA-N 1 2 277.368 0.902 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](CO)C(=C)C)n1 ZINC000789317232 581141901 /nfs/dbraw/zinc/14/19/01/581141901.db2.gz JOSRVNUGPBQFBB-OAHLLOKOSA-N 1 2 277.368 0.902 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000778236530 581147059 /nfs/dbraw/zinc/14/70/59/581147059.db2.gz MMYXQVCSULTXEN-KBPBESRZSA-N 1 2 281.375 0.444 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000778236530 581147061 /nfs/dbraw/zinc/14/70/61/581147061.db2.gz MMYXQVCSULTXEN-KBPBESRZSA-N 1 2 281.375 0.444 20 30 CCEDLO C=CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000789819597 581158105 /nfs/dbraw/zinc/15/81/05/581158105.db2.gz CJIGIVWRIDJROS-UHFFFAOYSA-N 1 2 282.388 0.368 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000793488234 581300640 /nfs/dbraw/zinc/30/06/40/581300640.db2.gz JWMNAMFUSNSOCX-ZDUSSCGKSA-N 1 2 273.340 0.541 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCN1C1CC1 ZINC000793488234 581300642 /nfs/dbraw/zinc/30/06/42/581300642.db2.gz JWMNAMFUSNSOCX-ZDUSSCGKSA-N 1 2 273.340 0.541 20 30 CCEDLO Cn1cc[nH+]c1CN=Nc1ccc(-n2cccn2)nn1 ZINC000727255667 581313945 /nfs/dbraw/zinc/31/39/45/581313945.db2.gz RMBQQSJTAIVPTP-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)COc1cccc(C#N)c1 ZINC000728544892 581363520 /nfs/dbraw/zinc/36/35/20/581363520.db2.gz NMNWPLLTZVDUGD-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO CS(=O)(=O)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783854353 581365994 /nfs/dbraw/zinc/36/59/94/581365994.db2.gz PEKFYHJDIQHNCX-UHFFFAOYSA-N 1 2 270.339 0.817 20 30 CCEDLO CS(=O)(=O)CCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783847556 581366027 /nfs/dbraw/zinc/36/60/27/581366027.db2.gz VSRSJRGUYSENAS-UHFFFAOYSA-N 1 2 298.393 0.902 20 30 CCEDLO Cn1c[nH+]c(CN=Nc2ccccc2S(N)(=O)=O)c1 ZINC000794538271 581375535 /nfs/dbraw/zinc/37/55/35/581375535.db2.gz PIYDUEWVKOIULW-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)nc1 ZINC000784908855 581398186 /nfs/dbraw/zinc/39/81/86/581398186.db2.gz RZNXVOCSHWZBMB-NSHDSACASA-N 1 2 275.308 0.831 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786005556 581426769 /nfs/dbraw/zinc/42/67/69/581426769.db2.gz CQQNPWILIUSPIT-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCC#N ZINC000786442273 581441105 /nfs/dbraw/zinc/44/11/05/581441105.db2.gz RIHGURNNEZYSSE-WZRBSPASSA-N 1 2 279.340 0.290 20 30 CCEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCC#N ZINC000786442273 581441108 /nfs/dbraw/zinc/44/11/08/581441108.db2.gz RIHGURNNEZYSSE-WZRBSPASSA-N 1 2 279.340 0.290 20 30 CCEDLO N#CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787350784 581468624 /nfs/dbraw/zinc/46/86/24/581468624.db2.gz GIEPISWEGVBZTI-UHFFFAOYSA-N 1 2 270.296 0.980 20 30 CCEDLO CCN(C)c1ccc(C(C)=[NH+]NC2=NC(=O)C(=O)N2)cc1 ZINC000765591112 581527649 /nfs/dbraw/zinc/52/76/49/581527649.db2.gz HICHEDZGRSHVDO-UHFFFAOYSA-N 1 2 287.323 0.469 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000753384622 581538569 /nfs/dbraw/zinc/53/85/69/581538569.db2.gz YIQBRKMOXZGWCR-CQSZACIVSA-N 1 2 295.383 0.142 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000766136557 581552033 /nfs/dbraw/zinc/55/20/33/581552033.db2.gz UAMKQXWOULCZPR-LLVKDONJSA-N 1 2 293.289 0.651 20 30 CCEDLO COCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766613371 581573006 /nfs/dbraw/zinc/57/30/06/581573006.db2.gz UQYDUNSUMVUJDV-UHFFFAOYSA-N 1 2 261.325 0.744 20 30 CCEDLO COCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766613371 581573009 /nfs/dbraw/zinc/57/30/09/581573009.db2.gz UQYDUNSUMVUJDV-UHFFFAOYSA-N 1 2 261.325 0.744 20 30 CCEDLO CC(C)[N@H+]1CC(=NNCCS(C)(=O)=O)[C@@H](C)C1 ZINC000754260963 581583431 /nfs/dbraw/zinc/58/34/31/581583431.db2.gz SZKJRNNVFDIQQS-JTQLQIEISA-N 1 2 261.391 0.337 20 30 CCEDLO CC(C)[N@@H+]1CC(=NNCCS(C)(=O)=O)[C@@H](C)C1 ZINC000754260963 581583433 /nfs/dbraw/zinc/58/34/33/581583433.db2.gz SZKJRNNVFDIQQS-JTQLQIEISA-N 1 2 261.391 0.337 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000755055089 581623720 /nfs/dbraw/zinc/62/37/20/581623720.db2.gz WHEALAPGMBULTP-FRRDWIJNSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000755055089 581623724 /nfs/dbraw/zinc/62/37/24/581623724.db2.gz WHEALAPGMBULTP-FRRDWIJNSA-N 1 2 266.341 0.004 20 30 CCEDLO C=CCC[NH+]1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000739902699 581633385 /nfs/dbraw/zinc/63/33/85/581633385.db2.gz GOLADEZEIMAADB-UHFFFAOYSA-N 1 2 275.418 0.767 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000739913358 581634484 /nfs/dbraw/zinc/63/44/84/581634484.db2.gz AQEPQDYUVMXBDZ-QWHCGFSZSA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](O)C1 ZINC000739913358 581634488 /nfs/dbraw/zinc/63/44/88/581634488.db2.gz AQEPQDYUVMXBDZ-QWHCGFSZSA-N 1 2 260.293 0.839 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1=O ZINC000758241974 581731160 /nfs/dbraw/zinc/73/11/60/581731160.db2.gz VIAYWAAUIZKKOG-CHWSQXEVSA-N 1 2 291.376 0.884 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1=O ZINC000758241974 581731161 /nfs/dbraw/zinc/73/11/61/581731161.db2.gz VIAYWAAUIZKKOG-CHWSQXEVSA-N 1 2 291.376 0.884 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1=O ZINC000758239157 581731465 /nfs/dbraw/zinc/73/14/65/581731465.db2.gz CIELZDWCEYRDRW-ZDUSSCGKSA-N 1 2 298.350 0.681 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1=O ZINC000758239157 581731468 /nfs/dbraw/zinc/73/14/68/581731468.db2.gz CIELZDWCEYRDRW-ZDUSSCGKSA-N 1 2 298.350 0.681 20 30 CCEDLO Cc1cccn2c(C=NN3C(=O)CNC3=O)c[nH+]c12 ZINC000770619130 581756822 /nfs/dbraw/zinc/75/68/22/581756822.db2.gz XCBWHCPAOASLJE-UHFFFAOYSA-N 1 2 257.253 0.528 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)CC(=O)NC ZINC000741786109 581761731 /nfs/dbraw/zinc/76/17/31/581761731.db2.gz BETDMBSJDSPOOF-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)CC(=O)NC ZINC000741786109 581761733 /nfs/dbraw/zinc/76/17/33/581761733.db2.gz BETDMBSJDSPOOF-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO C=CCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000741872065 581765525 /nfs/dbraw/zinc/76/55/25/581765525.db2.gz IKONQXPGKAZDRY-LLVKDONJSA-N 1 2 255.387 0.453 20 30 CCEDLO CCOC(=O)c1cnn(CC[NH+]2CCOCC2)c1C#N ZINC000758886711 581773595 /nfs/dbraw/zinc/77/35/95/581773595.db2.gz PELSWCQYWQBWGP-UHFFFAOYSA-N 1 2 278.312 0.264 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771951632 581835227 /nfs/dbraw/zinc/83/52/27/581835227.db2.gz ROZUSRALPYSFEP-UHFFFAOYSA-N 1 2 298.302 0.728 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745080438 581864162 /nfs/dbraw/zinc/86/41/62/581864162.db2.gz ARQUTWFPDNAVQU-QWRGUYRKSA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745080438 581864165 /nfs/dbraw/zinc/86/41/65/581864165.db2.gz ARQUTWFPDNAVQU-QWRGUYRKSA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CCN(CC[S@](C)=O)CC1 ZINC000760854794 581875992 /nfs/dbraw/zinc/87/59/92/581875992.db2.gz MZPZKIVPPHSHJA-UGSOOPFHSA-N 1 2 274.430 0.310 20 30 CCEDLO C=CCC[C@H](O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000760854794 581875993 /nfs/dbraw/zinc/87/59/93/581875993.db2.gz MZPZKIVPPHSHJA-UGSOOPFHSA-N 1 2 274.430 0.310 20 30 CCEDLO C#CCCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000745901725 581891160 /nfs/dbraw/zinc/89/11/60/581891160.db2.gz PVVKFZDIRNUGPC-UHFFFAOYSA-N 1 2 289.383 0.661 20 30 CCEDLO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000772876222 581894787 /nfs/dbraw/zinc/89/47/87/581894787.db2.gz BBKFCNBYSOKACY-OLZOCXBDSA-N 1 2 261.325 0.960 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000773821993 581942957 /nfs/dbraw/zinc/94/29/57/581942957.db2.gz DZMMLJVYVULIEO-CQSZACIVSA-N 1 2 284.319 0.684 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000762538499 581950040 /nfs/dbraw/zinc/95/00/40/581950040.db2.gz OGVWFYYESXWPKN-WTOJCKNJSA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000762538499 581950044 /nfs/dbraw/zinc/95/00/44/581950044.db2.gz OGVWFYYESXWPKN-WTOJCKNJSA-N 1 2 282.409 0.311 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000763073460 581984088 /nfs/dbraw/zinc/98/40/88/581984088.db2.gz KCYINVZXKMUGTP-HRCADAONSA-N 1 2 284.359 0.859 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000763073460 581984090 /nfs/dbraw/zinc/98/40/90/581984090.db2.gz KCYINVZXKMUGTP-HRCADAONSA-N 1 2 284.359 0.859 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000763655838 582004858 /nfs/dbraw/zinc/00/48/58/582004858.db2.gz IQIRQFKQFLANJI-UHFFFAOYSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000763655838 582004859 /nfs/dbraw/zinc/00/48/59/582004859.db2.gz IQIRQFKQFLANJI-UHFFFAOYSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)C2(O)CCC2)CC1 ZINC000763991081 582024872 /nfs/dbraw/zinc/02/48/72/582024872.db2.gz HTAUUQOSGUTCGU-UHFFFAOYSA-N 1 2 286.322 0.704 20 30 CCEDLO CCOc1ccc(O)c(/C=[NH+]\Cc2nnn(C)n2)c1 ZINC000775739544 582035475 /nfs/dbraw/zinc/03/54/75/582035475.db2.gz GKBOFQLLXNNIJE-QPEQYQDCSA-N 1 2 261.285 0.934 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000764704905 582063231 /nfs/dbraw/zinc/06/32/31/582063231.db2.gz VXVLCVLGKVSUMU-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000764704905 582063235 /nfs/dbraw/zinc/06/32/35/582063235.db2.gz VXVLCVLGKVSUMU-GFCCVEGCSA-N 1 2 265.357 0.514 20 30 CCEDLO C=C(Br)Cn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000881430014 613239251 /nfs/dbraw/zinc/23/92/51/613239251.db2.gz ZDDLYKUHDYDAKW-QMMMGPOBSA-N 1 2 289.133 0.230 20 30 CCEDLO C#CCOCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000852001739 612982777 /nfs/dbraw/zinc/98/27/77/612982777.db2.gz JTQXDIFYAIIURM-UHFFFAOYSA-N 1 2 250.302 0.340 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000852212567 612989991 /nfs/dbraw/zinc/98/99/91/612989991.db2.gz CDGLDUXZMUMZMD-MCIONIFRSA-N 1 2 283.368 0.973 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nccnc2Cl)CC1 ZINC000906483442 613011143 /nfs/dbraw/zinc/01/11/43/613011143.db2.gz IYVFDSPZRKKZNW-UHFFFAOYSA-N 1 2 278.743 0.911 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000883336386 612947796 /nfs/dbraw/zinc/94/77/96/612947796.db2.gz MMBDPZODTYEOCS-NWDGAFQWSA-N 1 2 283.347 0.462 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000025505301 612948133 /nfs/dbraw/zinc/94/81/33/612948133.db2.gz AEKSBYIHWSLTEN-CYBMUJFWSA-N 1 2 287.363 0.652 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000858283822 613034824 /nfs/dbraw/zinc/03/48/24/613034824.db2.gz SAZRDEMMTKHFBL-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000858283822 613034825 /nfs/dbraw/zinc/03/48/25/613034825.db2.gz SAZRDEMMTKHFBL-STQMWFEESA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC1(O)CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000896241029 612955234 /nfs/dbraw/zinc/95/52/34/612955234.db2.gz SZICFRNGLOIGGZ-CQSZACIVSA-N 1 2 285.347 0.563 20 30 CCEDLO C#CC1(O)CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000896241029 612955235 /nfs/dbraw/zinc/95/52/35/612955235.db2.gz SZICFRNGLOIGGZ-CQSZACIVSA-N 1 2 285.347 0.563 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000808300660 613051856 /nfs/dbraw/zinc/05/18/56/613051856.db2.gz VMVCYCLLQBZAMQ-UHFFFAOYSA-N 1 2 267.354 0.942 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845293 606890568 /nfs/dbraw/zinc/89/05/68/606890568.db2.gz SZBMZZSFSHSPBX-GWCFXTLKSA-N 1 2 286.339 0.992 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845293 606890569 /nfs/dbraw/zinc/89/05/69/606890569.db2.gz SZBMZZSFSHSPBX-GWCFXTLKSA-N 1 2 286.339 0.992 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894033504 613100433 /nfs/dbraw/zinc/10/04/33/613100433.db2.gz GCSVGLWPVRLQMP-GHMZBOCLSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894033504 613100435 /nfs/dbraw/zinc/10/04/35/613100435.db2.gz GCSVGLWPVRLQMP-GHMZBOCLSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894033506 613100545 /nfs/dbraw/zinc/10/05/45/613100545.db2.gz GCSVGLWPVRLQMP-QWRGUYRKSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894033506 613100546 /nfs/dbraw/zinc/10/05/46/613100546.db2.gz GCSVGLWPVRLQMP-QWRGUYRKSA-N 1 2 255.264 0.999 20 30 CCEDLO C#CC[N@H+](CN1CC2(CCOCC2)[C@H](O)C1=O)C(C)C ZINC000905747744 613108230 /nfs/dbraw/zinc/10/82/30/613108230.db2.gz BOVQRDXFZPAKNP-CYBMUJFWSA-N 1 2 280.368 0.287 20 30 CCEDLO C#CC[N@@H+](CN1CC2(CCOCC2)[C@H](O)C1=O)C(C)C ZINC000905747744 613108231 /nfs/dbraw/zinc/10/82/31/613108231.db2.gz BOVQRDXFZPAKNP-CYBMUJFWSA-N 1 2 280.368 0.287 20 30 CCEDLO C#CC[N@H+](CN1C[C@@]2(CCCOC2)C1=O)C(C)C ZINC000902384397 613108317 /nfs/dbraw/zinc/10/83/17/613108317.db2.gz LCDARJDCQAXYLB-CQSZACIVSA-N 1 2 250.342 0.927 20 30 CCEDLO C#CC[N@@H+](CN1C[C@@]2(CCCOC2)C1=O)C(C)C ZINC000902384397 613108319 /nfs/dbraw/zinc/10/83/19/613108319.db2.gz LCDARJDCQAXYLB-CQSZACIVSA-N 1 2 250.342 0.927 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CN(CC)C(=O)O1)C1CSC1 ZINC000878909840 613108398 /nfs/dbraw/zinc/10/83/98/613108398.db2.gz DMPVXOKOANFSSY-NSHDSACASA-N 1 2 254.355 0.878 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CN(CC)C(=O)O1)C1CSC1 ZINC000878909840 613108399 /nfs/dbraw/zinc/10/83/99/613108399.db2.gz DMPVXOKOANFSSY-NSHDSACASA-N 1 2 254.355 0.878 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886120631 614362362 /nfs/dbraw/zinc/36/23/62/614362362.db2.gz KENYYIXECICRFJ-CYBMUJFWSA-N 1 2 279.384 0.984 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886120631 614362364 /nfs/dbraw/zinc/36/23/64/614362364.db2.gz KENYYIXECICRFJ-CYBMUJFWSA-N 1 2 279.384 0.984 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2C)CC1 ZINC000931144774 612951993 /nfs/dbraw/zinc/95/19/93/612951993.db2.gz DSXWTDCPWYBTCV-UHFFFAOYSA-N 1 2 276.340 0.127 20 30 CCEDLO C#CCC(CC#C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000803698901 612968294 /nfs/dbraw/zinc/96/82/94/612968294.db2.gz ICUYYHOEJCUEOQ-ZDUSSCGKSA-N 1 2 263.337 0.913 20 30 CCEDLO C#CCOCC[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000851792110 612984040 /nfs/dbraw/zinc/98/40/40/612984040.db2.gz LAWUNAXSELEPAF-UHFFFAOYSA-N 1 2 280.397 0.872 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000856391904 612988555 /nfs/dbraw/zinc/98/85/55/612988555.db2.gz XRMUBCXNHNHVAQ-ZDUSSCGKSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000856389186 612988651 /nfs/dbraw/zinc/98/86/51/612988651.db2.gz GGMRITCZFXJEQN-ZDUSSCGKSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCOCCNc1nc[nH+]c(NCCOCC#C)c1C ZINC000853476933 612990141 /nfs/dbraw/zinc/99/01/41/612990141.db2.gz MEEQXGYCUKYRSN-UHFFFAOYSA-N 1 2 288.351 0.908 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC000950919957 612990634 /nfs/dbraw/zinc/99/06/34/612990634.db2.gz PGONRCVJUKTHNN-JSGCOSHPSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)cnn2C)C1 ZINC000951197111 612991491 /nfs/dbraw/zinc/99/14/91/612991491.db2.gz NZYHBOQHIRSRNH-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)nnn2CC)C1 ZINC000950496830 612991766 /nfs/dbraw/zinc/99/17/66/612991766.db2.gz JGWYYPXNMVHVDU-UHFFFAOYSA-N 1 2 289.383 0.776 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccc(C)n2)C1 ZINC000949991104 612993469 /nfs/dbraw/zinc/99/34/69/612993469.db2.gz NDQBXPCSWULITM-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842965839 613004858 /nfs/dbraw/zinc/00/48/58/613004858.db2.gz HUGLPBLOCZEGTM-MJBXVCDLSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842965839 613004859 /nfs/dbraw/zinc/00/48/59/613004859.db2.gz HUGLPBLOCZEGTM-MJBXVCDLSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)no2)CC1 ZINC000124276311 613010700 /nfs/dbraw/zinc/01/07/00/613010700.db2.gz QJYYCLPYZMGDRS-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000875919070 613019837 /nfs/dbraw/zinc/01/98/37/613019837.db2.gz ANSMEGJNZOVKIO-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875913026 613021562 /nfs/dbraw/zinc/02/15/62/613021562.db2.gz KDWOFEIMACZSMK-RYUDHWBXSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000843241602 613043531 /nfs/dbraw/zinc/04/35/31/613043531.db2.gz FYPAQSHMGUFLAT-CQSZACIVSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925583526 613047599 /nfs/dbraw/zinc/04/75/99/613047599.db2.gz FNQNZFGHGMFCDN-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000799078218 613058467 /nfs/dbraw/zinc/05/84/67/613058467.db2.gz AUALXBBJCNDAAT-HUUCEWRRSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000799078218 613058469 /nfs/dbraw/zinc/05/84/69/613058469.db2.gz AUALXBBJCNDAAT-HUUCEWRRSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893674376 613059705 /nfs/dbraw/zinc/05/97/05/613059705.db2.gz ZZTFSGLSZNUZJL-VXGBXAGGSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893674376 613059707 /nfs/dbraw/zinc/05/97/07/613059707.db2.gz ZZTFSGLSZNUZJL-VXGBXAGGSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000831764483 613062988 /nfs/dbraw/zinc/06/29/88/613062988.db2.gz VNDHNCVZYBQUDL-ZNMIVQPWSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000831764483 613062989 /nfs/dbraw/zinc/06/29/89/613062989.db2.gz VNDHNCVZYBQUDL-ZNMIVQPWSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CC(=O)OCC)n1 ZINC000859283355 613078661 /nfs/dbraw/zinc/07/86/61/613078661.db2.gz RMSDZWDKYKMVQD-CQSZACIVSA-N 1 2 293.367 0.652 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CC(=O)OCC)n1 ZINC000859283355 613078663 /nfs/dbraw/zinc/07/86/63/613078663.db2.gz RMSDZWDKYKMVQD-CQSZACIVSA-N 1 2 293.367 0.652 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875723564 613081361 /nfs/dbraw/zinc/08/13/61/613081361.db2.gz OUMLWPPBEYGXEX-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875723564 613081362 /nfs/dbraw/zinc/08/13/62/613081362.db2.gz OUMLWPPBEYGXEX-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854079040 613083891 /nfs/dbraw/zinc/08/38/91/613083891.db2.gz ULPJXFKBGRXQJT-RWMBFGLXSA-N 1 2 265.357 0.561 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854079040 613083893 /nfs/dbraw/zinc/08/38/93/613083893.db2.gz ULPJXFKBGRXQJT-RWMBFGLXSA-N 1 2 265.357 0.561 20 30 CCEDLO C#CCN(CC#C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900905720 613098425 /nfs/dbraw/zinc/09/84/25/613098425.db2.gz AMBOVVYJTHPNMO-WYMLVPIESA-N 1 2 260.337 0.360 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929720689 613100514 /nfs/dbraw/zinc/10/05/14/613100514.db2.gz RLUYTSXWLHKPGM-CQSZACIVSA-N 1 2 270.336 0.524 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929720689 613100516 /nfs/dbraw/zinc/10/05/16/613100516.db2.gz RLUYTSXWLHKPGM-CQSZACIVSA-N 1 2 270.336 0.524 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)C1 ZINC000941549680 613114933 /nfs/dbraw/zinc/11/49/33/613114933.db2.gz DMDSUIHJXWMNJC-KBPBESRZSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)C1 ZINC000941593543 613114954 /nfs/dbraw/zinc/11/49/54/613114954.db2.gz QYLKAIQDKWBBKU-HUUCEWRRSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC000941292748 613115148 /nfs/dbraw/zinc/11/51/48/613115148.db2.gz NDXWNRNJDUPTBD-TZMCWYRMSA-N 1 2 261.369 0.104 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000854080624 613121254 /nfs/dbraw/zinc/12/12/54/613121254.db2.gz VPXFOSUADLFSHW-JHJVBQTASA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000854080624 613121255 /nfs/dbraw/zinc/12/12/55/613121255.db2.gz VPXFOSUADLFSHW-JHJVBQTASA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](NC(=O)NCCn1cc[nH+]c1)C1CCOCC1 ZINC000852181162 613140200 /nfs/dbraw/zinc/14/02/00/613140200.db2.gz CTXSIMZGAKXDQO-ZDUSSCGKSA-N 1 2 276.340 0.611 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000969013953 613149845 /nfs/dbraw/zinc/14/98/45/613149845.db2.gz LFBHQQPLMPBBCU-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC000969013953 613149846 /nfs/dbraw/zinc/14/98/46/613149846.db2.gz LFBHQQPLMPBBCU-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO C#C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCCO1 ZINC000877413005 613151098 /nfs/dbraw/zinc/15/10/98/613151098.db2.gz CGTZCINXGAHSDB-QWRGUYRKSA-N 1 2 284.337 0.197 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000983586502 613157153 /nfs/dbraw/zinc/15/71/53/613157153.db2.gz VPAPLJUTTCJJJA-UHFFFAOYSA-N 1 2 273.336 0.464 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000983586502 613157155 /nfs/dbraw/zinc/15/71/55/613157155.db2.gz VPAPLJUTTCJJJA-UHFFFAOYSA-N 1 2 273.336 0.464 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCC)C1 ZINC000885512727 613175920 /nfs/dbraw/zinc/17/59/20/613175920.db2.gz YIAOMOSQZOKPDW-GFCCVEGCSA-N 1 2 258.387 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC)C1 ZINC000885512727 613175921 /nfs/dbraw/zinc/17/59/21/613175921.db2.gz YIAOMOSQZOKPDW-GFCCVEGCSA-N 1 2 258.387 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)CCOC)C1 ZINC000885511562 613176006 /nfs/dbraw/zinc/17/60/06/613176006.db2.gz JTCAICSGGXLPAN-CHWSQXEVSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)CCOC)C1 ZINC000885511562 613176007 /nfs/dbraw/zinc/17/60/07/613176007.db2.gz JTCAICSGGXLPAN-CHWSQXEVSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[S@@](C)=O)C1 ZINC000884227403 613185651 /nfs/dbraw/zinc/18/56/51/613185651.db2.gz PBEGFBGFWHKFCD-MTJIALIYSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[S@@](C)=O)C1 ZINC000884227403 613185652 /nfs/dbraw/zinc/18/56/52/613185652.db2.gz PBEGFBGFWHKFCD-MTJIALIYSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(CC)CC)C1 ZINC000885514246 613193266 /nfs/dbraw/zinc/19/32/66/613193266.db2.gz UWFORDQYBRZCHS-LBPRGKRZSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(CC)CC)C1 ZINC000885514246 613193268 /nfs/dbraw/zinc/19/32/68/613193268.db2.gz UWFORDQYBRZCHS-LBPRGKRZSA-N 1 2 273.402 0.260 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000907419284 613197910 /nfs/dbraw/zinc/19/79/10/613197910.db2.gz ZTVHTNFPZZENQT-GFCCVEGCSA-N 1 2 264.350 0.650 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000907419284 613197918 /nfs/dbraw/zinc/19/79/18/613197918.db2.gz ZTVHTNFPZZENQT-GFCCVEGCSA-N 1 2 264.350 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1cncs1 ZINC000913701634 613201947 /nfs/dbraw/zinc/20/19/47/613201947.db2.gz UVFUNNFEEPHUKQ-AAEUAGOBSA-N 1 2 293.392 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1cncs1 ZINC000913701634 613201948 /nfs/dbraw/zinc/20/19/48/613201948.db2.gz UVFUNNFEEPHUKQ-AAEUAGOBSA-N 1 2 293.392 0.260 20 30 CCEDLO C#Cc1cccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000853092992 613209359 /nfs/dbraw/zinc/20/93/59/613209359.db2.gz YFOSMBTYZDNZHL-ZDUSSCGKSA-N 1 2 261.325 0.168 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C)n2C)CC1 ZINC000842930351 613209609 /nfs/dbraw/zinc/20/96/09/613209609.db2.gz UQAGERQGPJUWAT-QWHCGFSZSA-N 1 2 289.383 0.463 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C(F)F)nc3ncnn32)CC1 ZINC000881786242 613209877 /nfs/dbraw/zinc/20/98/77/613209877.db2.gz FSNAJEOLQIJEBH-UHFFFAOYSA-N 1 2 292.293 0.817 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000949270347 613210063 /nfs/dbraw/zinc/21/00/63/613210063.db2.gz USFNXWOWFZAVGZ-UHFFFAOYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000949270347 613210065 /nfs/dbraw/zinc/21/00/65/613210065.db2.gz USFNXWOWFZAVGZ-UHFFFAOYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972337745 613211995 /nfs/dbraw/zinc/21/19/95/613211995.db2.gz AGTLUFZMTKMIOE-INIZCTEOSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972337745 613211996 /nfs/dbraw/zinc/21/19/96/613211996.db2.gz AGTLUFZMTKMIOE-INIZCTEOSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972514754 613212312 /nfs/dbraw/zinc/21/23/12/613212312.db2.gz PVMKMZCWSQYUFO-WBTNSWJXSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972514754 613212314 /nfs/dbraw/zinc/21/23/14/613212314.db2.gz PVMKMZCWSQYUFO-WBTNSWJXSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972325742 613213126 /nfs/dbraw/zinc/21/31/26/613213126.db2.gz ZGXGPSYYSRVPHZ-WBTNSWJXSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972325742 613213128 /nfs/dbraw/zinc/21/31/28/613213128.db2.gz ZGXGPSYYSRVPHZ-WBTNSWJXSA-N 1 2 288.391 0.969 20 30 CCEDLO C=C(Br)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865024029 613235914 /nfs/dbraw/zinc/23/59/14/613235914.db2.gz VZBXPUOBNRCEPJ-NSCUHMNNSA-N 1 2 289.173 0.900 20 30 CCEDLO C/C(=C\C(=O)N1CC(CC#N)C1)C[NH+]1CCOCC1 ZINC000912399179 613248732 /nfs/dbraw/zinc/24/87/32/613248732.db2.gz SWRQKRFDCXNLKZ-XYOKQWHBSA-N 1 2 263.341 0.637 20 30 CCEDLO C/C(=C\C(=O)N(CCC#N)CCC#N)C[NH+]1CCOCC1 ZINC000900328878 613248789 /nfs/dbraw/zinc/24/87/89/613248789.db2.gz JOMJZFMEHHIMES-WYMLVPIESA-N 1 2 290.367 0.921 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 ZINC000950001914 613294791 /nfs/dbraw/zinc/29/47/91/613294791.db2.gz OSYPQBLYZXBHCL-NSHDSACASA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC000957426732 613295159 /nfs/dbraw/zinc/29/51/59/613295159.db2.gz FLFIAHKTJNOLSA-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852640066 613328048 /nfs/dbraw/zinc/32/80/48/613328048.db2.gz ZCESENYJHJKMSD-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852640066 613328050 /nfs/dbraw/zinc/32/80/50/613328050.db2.gz ZCESENYJHJKMSD-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](CCc2ccns2)CC1 ZINC000929510467 613329466 /nfs/dbraw/zinc/32/94/66/613329466.db2.gz IGZSMGKWUHYWHN-UHFFFAOYSA-N 1 2 292.408 0.053 20 30 CCEDLO C=C(C)CONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000845607852 613353150 /nfs/dbraw/zinc/35/31/50/613353150.db2.gz BNTBACJAXJYWLN-OLZOCXBDSA-N 1 2 283.372 0.999 20 30 CCEDLO C=C(C)CONC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000845594035 613353698 /nfs/dbraw/zinc/35/36/98/613353698.db2.gz AOYDIJZUPJEQGT-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922737904 613354331 /nfs/dbraw/zinc/35/43/31/613354331.db2.gz VJFGFAUGQVJIJF-OOPCZODUSA-N 1 2 268.357 0.318 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000882901476 613358016 /nfs/dbraw/zinc/35/80/16/613358016.db2.gz JGGDACKUMLKYAW-IJLUTSLNSA-N 1 2 263.341 0.967 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289427 613380192 /nfs/dbraw/zinc/38/01/92/613380192.db2.gz VNMWBLCHRHMEHP-VHSXEESVSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289427 613380193 /nfs/dbraw/zinc/38/01/93/613380193.db2.gz VNMWBLCHRHMEHP-VHSXEESVSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899274 613380207 /nfs/dbraw/zinc/38/02/07/613380207.db2.gz ZHXZLINHKNRZDU-GXSJLCMTSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899274 613380208 /nfs/dbraw/zinc/38/02/08/613380208.db2.gz ZHXZLINHKNRZDU-GXSJLCMTSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859422 613381094 /nfs/dbraw/zinc/38/10/94/613381094.db2.gz PAIMUSMFCVCCQN-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859422 613381095 /nfs/dbraw/zinc/38/10/95/613381095.db2.gz PAIMUSMFCVCCQN-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nocc2C)C1 ZINC000958573698 613381396 /nfs/dbraw/zinc/38/13/96/613381396.db2.gz KHSKMZHMUNSEBQ-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nocc2C)C1 ZINC000958573698 613381397 /nfs/dbraw/zinc/38/13/97/613381397.db2.gz KHSKMZHMUNSEBQ-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)C(=O)OC ZINC000905759386 613405503 /nfs/dbraw/zinc/40/55/03/613405503.db2.gz MLQXVYFQIUVPEJ-CYBMUJFWSA-N 1 2 268.357 0.952 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000878106158 613410615 /nfs/dbraw/zinc/41/06/15/613410615.db2.gz IJSNHVRTCAEDJY-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000878106158 613410618 /nfs/dbraw/zinc/41/06/18/613410618.db2.gz IJSNHVRTCAEDJY-VXGBXAGGSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897650753 613417136 /nfs/dbraw/zinc/41/71/36/613417136.db2.gz NTNGXNMXTZAPPC-LLVKDONJSA-N 1 2 251.330 0.980 20 30 CCEDLO C=CC[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)C(=O)OC ZINC000905848899 613419018 /nfs/dbraw/zinc/41/90/18/613419018.db2.gz BPMZMSGUCKVPLX-QWRGUYRKSA-N 1 2 254.330 0.562 20 30 CCEDLO C=CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)C(=O)OC ZINC000905753835 613419094 /nfs/dbraw/zinc/41/90/94/613419094.db2.gz CCXFWAHCSTUWLN-NSHDSACASA-N 1 2 292.401 0.365 20 30 CCEDLO C=CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)C(=O)OC ZINC000905748862 613419206 /nfs/dbraw/zinc/41/92/06/613419206.db2.gz YQPQBOVZCMVZSZ-LBPRGKRZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000895578130 613446002 /nfs/dbraw/zinc/44/60/02/613446002.db2.gz FTEFMXHNVYIOLL-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000895578130 613446005 /nfs/dbraw/zinc/44/60/05/613446005.db2.gz FTEFMXHNVYIOLL-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898892380 613455396 /nfs/dbraw/zinc/45/53/96/613455396.db2.gz PXUPYNBSWSGFFT-MRVPVSSYSA-N 1 2 259.256 0.781 20 30 CCEDLO C=CCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870066704 613464471 /nfs/dbraw/zinc/46/44/71/613464471.db2.gz GYCSQHXHDOMZEH-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875641781 613470737 /nfs/dbraw/zinc/47/07/37/613470737.db2.gz KBGXDKKJNHBOHL-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875641781 613470738 /nfs/dbraw/zinc/47/07/38/613470738.db2.gz KBGXDKKJNHBOHL-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)c2cc(=O)c(OC)co2)CC1 ZINC000949302684 613509628 /nfs/dbraw/zinc/50/96/28/613509628.db2.gz JKRQJCJANJHXTH-UHFFFAOYSA-N 1 2 292.335 0.982 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)C1 ZINC000941550087 613529685 /nfs/dbraw/zinc/52/96/85/613529685.db2.gz KTXARXUEBWRQKF-LSDHHAIUSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)SC)CC2)C1 ZINC000941324003 613529750 /nfs/dbraw/zinc/52/97/50/613529750.db2.gz XXIHEEDXNBLECB-CYBMUJFWSA-N 1 2 295.452 0.590 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC000981020484 613554277 /nfs/dbraw/zinc/55/42/77/613554277.db2.gz SAPBIUUUWQAFAU-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC000981020484 613554279 /nfs/dbraw/zinc/55/42/79/613554279.db2.gz SAPBIUUUWQAFAU-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000957311168 613568262 /nfs/dbraw/zinc/56/82/62/613568262.db2.gz GVTBVSVJHNVFHE-UHFFFAOYSA-N 1 2 299.334 0.216 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972371849 613570227 /nfs/dbraw/zinc/57/02/27/613570227.db2.gz UZQMRUPSCJSMRG-ZBFHGGJFSA-N 1 2 294.395 0.330 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC000972371849 613570229 /nfs/dbraw/zinc/57/02/29/613570229.db2.gz UZQMRUPSCJSMRG-ZBFHGGJFSA-N 1 2 294.395 0.330 20 30 CCEDLO C=CCCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866995243 613573998 /nfs/dbraw/zinc/57/39/98/613573998.db2.gz BGUNNSCNGUYJPU-PLNGDYQASA-N 1 2 268.357 0.584 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551750 613578032 /nfs/dbraw/zinc/57/80/32/613578032.db2.gz XUCZHWQVIUISGV-RYUDHWBXSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551750 613578034 /nfs/dbraw/zinc/57/80/34/613578034.db2.gz XUCZHWQVIUISGV-RYUDHWBXSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000927501356 613587529 /nfs/dbraw/zinc/58/75/29/613587529.db2.gz BMHYEKFQVGIYGB-NEPJUHHUSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000927501356 613587533 /nfs/dbraw/zinc/58/75/33/613587533.db2.gz BMHYEKFQVGIYGB-NEPJUHHUSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](CCF)CC2)nn1 ZINC000982143523 613593223 /nfs/dbraw/zinc/59/32/23/613593223.db2.gz XDBAGEQFJVPJAB-UHFFFAOYSA-N 1 2 295.362 0.972 20 30 CCEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](CCF)CC2)nn1 ZINC000982143523 613593225 /nfs/dbraw/zinc/59/32/25/613593225.db2.gz XDBAGEQFJVPJAB-UHFFFAOYSA-N 1 2 295.362 0.972 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)nn1 ZINC000846889716 613598700 /nfs/dbraw/zinc/59/87/00/613598700.db2.gz DBXVDBUAKMFMCH-YPMHNXCESA-N 1 2 291.355 0.785 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)nn1 ZINC000846889716 613598702 /nfs/dbraw/zinc/59/87/02/613598702.db2.gz DBXVDBUAKMFMCH-YPMHNXCESA-N 1 2 291.355 0.785 20 30 CCEDLO C=CCCn1cc(COC(=O)[C@@H]2C[N@H+](CC)CCO2)nn1 ZINC000848726222 613599999 /nfs/dbraw/zinc/59/99/99/613599999.db2.gz MXBXVJPSBNTOMI-ZDUSSCGKSA-N 1 2 294.355 0.618 20 30 CCEDLO C=CCCn1cc(COC(=O)[C@@H]2C[N@@H+](CC)CCO2)nn1 ZINC000848726222 613600002 /nfs/dbraw/zinc/60/00/02/613600002.db2.gz MXBXVJPSBNTOMI-ZDUSSCGKSA-N 1 2 294.355 0.618 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935457 613625778 /nfs/dbraw/zinc/62/57/78/613625778.db2.gz MSZKWQGBEXIZML-OLZOCXBDSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935457 613625779 /nfs/dbraw/zinc/62/57/79/613625779.db2.gz MSZKWQGBEXIZML-OLZOCXBDSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nn(C)cc2C)nn1 ZINC000900652101 613645113 /nfs/dbraw/zinc/64/51/13/613645113.db2.gz IKYKQNPIUDXSGB-UHFFFAOYSA-N 1 2 258.329 0.481 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)OCCC)nn1 ZINC000881298509 613645203 /nfs/dbraw/zinc/64/52/03/613645203.db2.gz JJESHVMLZSOYPV-NSHDSACASA-N 1 2 264.329 0.905 20 30 CCEDLO C=CC[N@H+](CN1C[C@H](OC)CC1=O)[C@H](C)COC ZINC000853533949 613651337 /nfs/dbraw/zinc/65/13/37/613651337.db2.gz FGLIQBDWOARLMX-VXGBXAGGSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@H](OC)CC1=O)[C@H](C)COC ZINC000853533949 613651339 /nfs/dbraw/zinc/65/13/39/613651339.db2.gz FGLIQBDWOARLMX-VXGBXAGGSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000952394998 613653589 /nfs/dbraw/zinc/65/35/89/613653589.db2.gz QEYHINRYJBOQCI-QWHCGFSZSA-N 1 2 293.411 0.997 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn(C)c(=O)c2)C1 ZINC000950645748 613658572 /nfs/dbraw/zinc/65/85/72/613658572.db2.gz YFMZXUKZLIQVDU-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cc(OC)no2)CC1 ZINC000948566465 613707385 /nfs/dbraw/zinc/70/73/85/613707385.db2.gz CHUYLKQIBVLVGS-UHFFFAOYSA-N 1 2 279.340 0.946 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000957774030 613708245 /nfs/dbraw/zinc/70/82/45/613708245.db2.gz DBEDSBNCPUSTFE-UHFFFAOYSA-N 1 2 262.357 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC000948712668 613709290 /nfs/dbraw/zinc/70/92/90/613709290.db2.gz LXPNZMCNUOISTG-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)CC1 ZINC000949442721 613710457 /nfs/dbraw/zinc/71/04/57/613710457.db2.gz GHNPMNWLSYZPAP-STQMWFEESA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC000957766004 613713451 /nfs/dbraw/zinc/71/34/51/613713451.db2.gz WYWXDBKHZCTAKY-LBPRGKRZSA-N 1 2 275.356 0.171 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1 ZINC000949781910 613714039 /nfs/dbraw/zinc/71/40/39/613714039.db2.gz FRPJWEBLLPHJLK-UHFFFAOYSA-N 1 2 262.313 0.434 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000951727617 613716904 /nfs/dbraw/zinc/71/69/04/613716904.db2.gz XJVCTFSZQVRRML-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cncc(-n3ccnn3)c2)CC1 ZINC000949475414 613717914 /nfs/dbraw/zinc/71/79/14/613717914.db2.gz QWQYOKYSFCMSTH-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CCN1CCN(C[NH+]2CCC(O)(C(F)F)CC2)C1=O ZINC000840048651 613719841 /nfs/dbraw/zinc/71/98/41/613719841.db2.gz CQRUOMBGWAYQCM-UHFFFAOYSA-N 1 2 289.326 0.960 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000972199462 613723473 /nfs/dbraw/zinc/72/34/73/613723473.db2.gz BHBZNBRGAKMDMW-ZDUSSCGKSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000972199462 613723476 /nfs/dbraw/zinc/72/34/76/613723476.db2.gz BHBZNBRGAKMDMW-ZDUSSCGKSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 ZINC000972250225 613724217 /nfs/dbraw/zinc/72/42/17/613724217.db2.gz UYENDYRMMQYZIF-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 ZINC000972250225 613724218 /nfs/dbraw/zinc/72/42/18/613724218.db2.gz UYENDYRMMQYZIF-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(N(C)C)[nH+]cn2)C1=O ZINC000893667691 613739338 /nfs/dbraw/zinc/73/93/38/613739338.db2.gz CYKFMMCEZAOCLP-LLVKDONJSA-N 1 2 275.356 0.766 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(N(C)C)nc[nH+]2)C1=O ZINC000893667691 613739341 /nfs/dbraw/zinc/73/93/41/613739341.db2.gz CYKFMMCEZAOCLP-LLVKDONJSA-N 1 2 275.356 0.766 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C(C)(C)C1 ZINC000974627730 613826508 /nfs/dbraw/zinc/82/65/08/613826508.db2.gz CDFOTNUBLSLTGD-NSHDSACASA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C(C)(C)C1 ZINC000974627730 613826509 /nfs/dbraw/zinc/82/65/09/613826509.db2.gz CDFOTNUBLSLTGD-NSHDSACASA-N 1 2 286.397 0.044 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877141313 613846972 /nfs/dbraw/zinc/84/69/72/613846972.db2.gz HBBQFEWUXOCOEX-UHFFFAOYSA-N 1 2 264.716 0.998 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC(C)(C)OCC1(C)C ZINC000884142219 613877426 /nfs/dbraw/zinc/87/74/26/613877426.db2.gz UIRCVFIAOGDVCY-NSHDSACASA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1scnc1C ZINC000884211445 613877482 /nfs/dbraw/zinc/87/74/82/613877482.db2.gz DRAMTJVBAVDETM-JTQLQIEISA-N 1 2 297.380 0.857 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](COCC)C1 ZINC000884138415 613877542 /nfs/dbraw/zinc/87/75/42/613877542.db2.gz NQNVRVMACGVBFU-STQMWFEESA-N 1 2 298.383 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C ZINC000884048708 613877560 /nfs/dbraw/zinc/87/75/60/613877560.db2.gz UBMODULHCYWDMD-MNOVXSKESA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCO[C@H](C)C1 ZINC000884122698 613877638 /nfs/dbraw/zinc/87/76/38/613877638.db2.gz XNDJGVLAXZNIKI-MNOVXSKESA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000884471560 613877959 /nfs/dbraw/zinc/87/79/59/613877959.db2.gz ABUOXKYSVWUPCE-QWRGUYRKSA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1nccs1 ZINC000884195154 613878087 /nfs/dbraw/zinc/87/80/87/613878087.db2.gz DDYZLLOJOUHXCZ-VIFPVBQESA-N 1 2 297.380 0.941 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000884331877 613878356 /nfs/dbraw/zinc/87/83/56/613878356.db2.gz ZJEBFGWRMLOAGA-UTUOFQBUSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]1OC ZINC000884308874 613878427 /nfs/dbraw/zinc/87/84/27/613878427.db2.gz GFPUILPHPAKKIP-SDDRHHMPSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(OC)c1 ZINC000884050059 613878437 /nfs/dbraw/zinc/87/84/37/613878437.db2.gz OJGRQLLUVAILRO-ZDUSSCGKSA-N 1 2 292.335 0.758 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ncc(CC)s1 ZINC000884229651 613878505 /nfs/dbraw/zinc/87/85/05/613878505.db2.gz WWTSKHKGJAHLGL-JTQLQIEISA-N 1 2 297.380 0.768 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCSC ZINC000884142471 613878576 /nfs/dbraw/zinc/87/85/76/613878576.db2.gz AJERPIBMTXLFEH-UWVGGRQHSA-N 1 2 274.386 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc(C)c(C)s1 ZINC000884225384 613878611 /nfs/dbraw/zinc/87/86/11/613878611.db2.gz QGACAXWSCXQSMC-JTQLQIEISA-N 1 2 297.380 0.823 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(C(C)C)c1 ZINC000884123292 613878906 /nfs/dbraw/zinc/87/89/06/613878906.db2.gz NZZOTYVPKJXIAT-NSHDSACASA-N 1 2 280.328 0.849 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cncnc1OC ZINC000842696129 613885800 /nfs/dbraw/zinc/88/58/00/613885800.db2.gz MTIGMPWTQTVTBR-UHFFFAOYSA-N 1 2 271.342 0.176 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(CCC)nn1 ZINC000865523881 613885833 /nfs/dbraw/zinc/88/58/33/613885833.db2.gz DGVZSKZQDGIZTA-UHFFFAOYSA-N 1 2 272.374 0.379 20 30 CCEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000932441203 613952061 /nfs/dbraw/zinc/95/20/61/613952061.db2.gz YRPMIKDNPBFMSI-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000932441203 613952062 /nfs/dbraw/zinc/95/20/62/613952062.db2.gz YRPMIKDNPBFMSI-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000823161655 614210824 /nfs/dbraw/zinc/21/08/24/614210824.db2.gz SPJNPLQXNZACJP-VXGBXAGGSA-N 1 2 294.355 0.967 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C)C1CC1 ZINC000931206966 614509583 /nfs/dbraw/zinc/50/95/83/614509583.db2.gz AZMHZCKVTVOHOR-HNNXBMFYSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCNC(=O)CC1(C)C)C1CC1 ZINC000931206966 614509585 /nfs/dbraw/zinc/50/95/85/614509585.db2.gz AZMHZCKVTVOHOR-HNNXBMFYSA-N 1 2 292.383 0.395 20 30 CCEDLO CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000951730633 614624717 /nfs/dbraw/zinc/62/47/17/614624717.db2.gz WXWQNRYDWRHHIF-GFCCVEGCSA-N 1 2 287.367 0.886 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@@H+]2CCO[C@@H](C)C#N ZINC000852706876 615160661 /nfs/dbraw/zinc/16/06/61/615160661.db2.gz BXXWLJSGVFAQPR-ZBOXLXRLSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@H+]2CCO[C@@H](C)C#N ZINC000852706876 615160662 /nfs/dbraw/zinc/16/06/62/615160662.db2.gz BXXWLJSGVFAQPR-ZBOXLXRLSA-N 1 2 252.314 0.943 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOCCC#N)C1 ZINC000815215695 615172572 /nfs/dbraw/zinc/17/25/72/615172572.db2.gz UTDIEUKSEXMHCV-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCOCCC#N)C1 ZINC000815215695 615172576 /nfs/dbraw/zinc/17/25/76/615172576.db2.gz UTDIEUKSEXMHCV-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCSCC#N)C1 ZINC000805475294 615172649 /nfs/dbraw/zinc/17/26/49/615172649.db2.gz NAZSZKKALZURES-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCCSCC#N)C1 ZINC000805475294 615172650 /nfs/dbraw/zinc/17/26/50/615172650.db2.gz NAZSZKKALZURES-LLVKDONJSA-N 1 2 272.370 0.897 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865686280 615255181 /nfs/dbraw/zinc/25/51/81/615255181.db2.gz KEDYHSSKYYEMEC-UHFFFAOYSA-N 1 2 277.324 0.946 20 30 CCEDLO CCOC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCOCC1 ZINC000801941365 615283235 /nfs/dbraw/zinc/28/32/35/615283235.db2.gz MQKWBAKNURLDED-AAEUAGOBSA-N 1 2 284.356 0.863 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019447 615306035 /nfs/dbraw/zinc/30/60/35/615306035.db2.gz UQNXWYGQGMJDOV-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019447 615306037 /nfs/dbraw/zinc/30/60/37/615306037.db2.gz UQNXWYGQGMJDOV-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000815052863 615306773 /nfs/dbraw/zinc/30/67/73/615306773.db2.gz FAIMPWDFLKFMJC-TUAOUCFPSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000815052863 615306776 /nfs/dbraw/zinc/30/67/76/615306776.db2.gz FAIMPWDFLKFMJC-TUAOUCFPSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000815052865 615307585 /nfs/dbraw/zinc/30/75/85/615307585.db2.gz FAIMPWDFLKFMJC-WOPDTQHZSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000815052865 615307589 /nfs/dbraw/zinc/30/75/89/615307589.db2.gz FAIMPWDFLKFMJC-WOPDTQHZSA-N 1 2 252.314 0.943 20 30 CCEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931331570 615366311 /nfs/dbraw/zinc/36/63/11/615366311.db2.gz HJCRIUJRSRZFAE-XQQFMLRXSA-N 1 2 281.356 0.285 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000902940483 615479666 /nfs/dbraw/zinc/47/96/66/615479666.db2.gz QRAREBHMAIGRRQ-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000886470531 615562957 /nfs/dbraw/zinc/56/29/57/615562957.db2.gz QGUZPSSDCPBZQL-GFCCVEGCSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000886470531 615562958 /nfs/dbraw/zinc/56/29/58/615562958.db2.gz QGUZPSSDCPBZQL-GFCCVEGCSA-N 1 2 294.380 0.668 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000913519464 615860420 /nfs/dbraw/zinc/86/04/20/615860420.db2.gz BBXTYNBGPOBJMA-NSHDSACASA-N 1 2 260.341 0.511 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801946972 615869715 /nfs/dbraw/zinc/86/97/15/615869715.db2.gz RYTPVTXQOSTQJW-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801946972 615869716 /nfs/dbraw/zinc/86/97/16/615869716.db2.gz RYTPVTXQOSTQJW-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886016804 615876491 /nfs/dbraw/zinc/87/64/91/615876491.db2.gz LYPSGDNQVQFANN-RYUDHWBXSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886016804 615876495 /nfs/dbraw/zinc/87/64/95/615876495.db2.gz LYPSGDNQVQFANN-RYUDHWBXSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000871760364 615928079 /nfs/dbraw/zinc/92/80/79/615928079.db2.gz FLVCJKAXNFCYMX-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000871760364 615928081 /nfs/dbraw/zinc/92/80/81/615928081.db2.gz FLVCJKAXNFCYMX-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO CN(C)c1noc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000819239643 616038262 /nfs/dbraw/zinc/03/82/62/616038262.db2.gz OXBAJSHVQNZFFO-LBPRGKRZSA-N 1 2 287.323 0.830 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000930957231 616326379 /nfs/dbraw/zinc/32/63/79/616326379.db2.gz AMCZBUUNDNQVLO-RYUDHWBXSA-N 1 2 281.356 0.442 20 30 CCEDLO COCCOCCN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000844468536 616542562 /nfs/dbraw/zinc/54/25/62/616542562.db2.gz VKUYWRVEFZFUOZ-CQSZACIVSA-N 1 2 285.388 0.196 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000871345057 616545277 /nfs/dbraw/zinc/54/52/77/616545277.db2.gz MJGWUKYQIIBCBB-GHMZBOCLSA-N 1 2 290.323 0.439 20 30 CCEDLO COC(=O)CCN(CC#N)CCCn1cc[nH+]c1 ZINC000879474246 616547433 /nfs/dbraw/zinc/54/74/33/616547433.db2.gz KDJNBYDADZACQS-UHFFFAOYSA-N 1 2 250.302 0.662 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)[C@H](C)CC#N ZINC000851102587 616653457 /nfs/dbraw/zinc/65/34/57/616653457.db2.gz VGQCAKDQZMVVBD-AGIUHOORSA-N 1 2 284.356 0.815 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)[C@H](C)CC#N ZINC000851102587 616653462 /nfs/dbraw/zinc/65/34/62/616653462.db2.gz VGQCAKDQZMVVBD-AGIUHOORSA-N 1 2 284.356 0.815 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCO[C@@H](C)C#N ZINC000879155817 616764208 /nfs/dbraw/zinc/76/42/08/616764208.db2.gz IUVDFNJLVXLUIA-LOWVWBTDSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCO[C@@H](C)C#N ZINC000879155817 616764212 /nfs/dbraw/zinc/76/42/12/616764212.db2.gz IUVDFNJLVXLUIA-LOWVWBTDSA-N 1 2 270.329 0.567 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930017494 617024920 /nfs/dbraw/zinc/02/49/20/617024920.db2.gz JGCZSJCCLISIHT-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930017494 617024921 /nfs/dbraw/zinc/02/49/21/617024921.db2.gz JGCZSJCCLISIHT-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CON=CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133988 617103891 /nfs/dbraw/zinc/10/38/91/617103891.db2.gz HPEZXRMWXIQQNC-UHFFFAOYSA-N 1 2 277.324 0.669 20 30 CCEDLO CON=CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870997746 617105296 /nfs/dbraw/zinc/10/52/96/617105296.db2.gz XWMIWSUULLDYBP-UHFFFAOYSA-N 1 2 294.380 0.883 20 30 CCEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)c1C#N ZINC000930516370 625343565 /nfs/dbraw/zinc/34/35/65/625343565.db2.gz BYCOCYJPRXSIDJ-ZYHUDNBSSA-N 1 2 296.396 0.187 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC000934514932 622731304 /nfs/dbraw/zinc/73/13/04/622731304.db2.gz YMWISMJTJKBNIS-GFCCVEGCSA-N 1 2 279.384 0.505 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC000934514932 622731311 /nfs/dbraw/zinc/73/13/11/622731311.db2.gz YMWISMJTJKBNIS-GFCCVEGCSA-N 1 2 279.384 0.505 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596626 623386047 /nfs/dbraw/zinc/38/60/47/623386047.db2.gz RFFJSAKYEUDKQY-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596626 623386051 /nfs/dbraw/zinc/38/60/51/623386051.db2.gz RFFJSAKYEUDKQY-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007405408 623630250 /nfs/dbraw/zinc/63/02/50/623630250.db2.gz AWWDOSOWJQZPSH-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001007405408 623630256 /nfs/dbraw/zinc/63/02/56/623630256.db2.gz AWWDOSOWJQZPSH-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007495137 623652007 /nfs/dbraw/zinc/65/20/07/623652007.db2.gz JAIKWANAOYOSEU-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001007495137 623652009 /nfs/dbraw/zinc/65/20/09/623652009.db2.gz JAIKWANAOYOSEU-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(CC#N)C1 ZINC000970444172 624688599 /nfs/dbraw/zinc/68/85/99/624688599.db2.gz GAQOEBAHCFKVQD-RAIGVLPGSA-N 1 2 287.367 0.484 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971220528 624828732 /nfs/dbraw/zinc/82/87/32/624828732.db2.gz HPDSDAAEFIZKGK-QWRGUYRKSA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971220528 624828733 /nfs/dbraw/zinc/82/87/33/624828733.db2.gz HPDSDAAEFIZKGK-QWRGUYRKSA-N 1 2 276.344 0.007 20 30 CCEDLO Cc1nn(CCO[NH+]=C(N)c2ccc(F)c(C)c2)c(=O)o1 ZINC000902699465 634436209 /nfs/dbraw/zinc/43/62/09/634436209.db2.gz LJUXAZSRFWPSCP-UHFFFAOYSA-N 1 2 294.286 0.929 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC001009804719 630786201 /nfs/dbraw/zinc/78/62/01/630786201.db2.gz XVHRKQHQPSOVAF-OAHLLOKOSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC001009804719 630786208 /nfs/dbraw/zinc/78/62/08/630786208.db2.gz XVHRKQHQPSOVAF-OAHLLOKOSA-N 1 2 285.347 0.817 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000980838315 631066419 /nfs/dbraw/zinc/06/64/19/631066419.db2.gz MOHVGKILDARQTQ-NEPJUHHUSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000980838315 631066421 /nfs/dbraw/zinc/06/64/21/631066421.db2.gz MOHVGKILDARQTQ-NEPJUHHUSA-N 1 2 292.383 0.347 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933797 631338675 /nfs/dbraw/zinc/33/86/75/631338675.db2.gz VPBQGISUDVXMEL-GFCCVEGCSA-N 1 2 287.367 0.887 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000968471742 650016142 /nfs/dbraw/zinc/01/61/42/650016142.db2.gz KCCGMKMTFRWQLU-MNOVXSKESA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000894309646 631703932 /nfs/dbraw/zinc/70/39/32/631703932.db2.gz QYJJZGCXAPBGEK-SMDDNHRTSA-N 1 2 289.339 0.522 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000968627397 650024321 /nfs/dbraw/zinc/02/43/21/650024321.db2.gz XCBQKOQZDDUTAS-LLVKDONJSA-N 1 2 276.365 0.642 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968697548 650026259 /nfs/dbraw/zinc/02/62/59/650026259.db2.gz GXJDKBNEOXWLEY-RYUDHWBXSA-N 1 2 261.329 0.233 20 30 CCEDLO N#CCC(=O)N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000895066347 631916894 /nfs/dbraw/zinc/91/68/94/631916894.db2.gz IPAGEJXPZASZAZ-UHFFFAOYSA-N 1 2 273.340 0.387 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007423142 650077855 /nfs/dbraw/zinc/07/78/55/650077855.db2.gz HHFFYALGAXVJJW-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007423142 650077859 /nfs/dbraw/zinc/07/78/59/650077859.db2.gz HHFFYALGAXVJJW-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986358359 632746491 /nfs/dbraw/zinc/74/64/91/632746491.db2.gz ZJROOXASHPCBQA-ZYHUDNBSSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986358359 632746493 /nfs/dbraw/zinc/74/64/93/632746493.db2.gz ZJROOXASHPCBQA-ZYHUDNBSSA-N 1 2 261.329 0.445 20 30 CCEDLO N#CCN1CCC(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000900827069 634101618 /nfs/dbraw/zinc/10/16/18/634101618.db2.gz FASYWOYHHNRKQR-UHFFFAOYSA-N 1 2 287.367 0.845 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900802696 634106671 /nfs/dbraw/zinc/10/66/71/634106671.db2.gz FRHNIPJDVUNDMX-UTUOFQBUSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900802696 634106672 /nfs/dbraw/zinc/10/66/72/634106672.db2.gz FRHNIPJDVUNDMX-UTUOFQBUSA-N 1 2 252.362 0.287 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009430188 650144920 /nfs/dbraw/zinc/14/49/20/650144920.db2.gz BRHOYQBAZHQWNC-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001009430188 650144922 /nfs/dbraw/zinc/14/49/22/650144922.db2.gz BRHOYQBAZHQWNC-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@@H](C#N)C2)C1 ZINC000905721743 634902358 /nfs/dbraw/zinc/90/23/58/634902358.db2.gz BWTDBJYPRPZILS-QWHCGFSZSA-N 1 2 287.367 0.929 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089242 635073763 /nfs/dbraw/zinc/07/37/63/635073763.db2.gz KSSDYLAMJYUBRW-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907089242 635073765 /nfs/dbraw/zinc/07/37/65/635073765.db2.gz KSSDYLAMJYUBRW-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457119 650230263 /nfs/dbraw/zinc/23/02/63/650230263.db2.gz JRDKQFXODTUNFJ-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457119 650230267 /nfs/dbraw/zinc/23/02/67/650230267.db2.gz JRDKQFXODTUNFJ-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO N#Cc1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)ccn1 ZINC000912344914 636556419 /nfs/dbraw/zinc/55/64/19/636556419.db2.gz WIRPLYVHHXZIHX-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3cc(C#N)cn3C)CC[NH2+]2)cn1 ZINC000913466353 636820187 /nfs/dbraw/zinc/82/01/87/636820187.db2.gz FFUZYMCQJNCFDQ-CYBMUJFWSA-N 1 2 298.350 0.417 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@@H]12 ZINC000992147937 637323103 /nfs/dbraw/zinc/32/31/03/637323103.db2.gz ALQRIEXQOJVKCS-DOMZBBRYSA-N 1 2 288.351 0.486 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@@H]12 ZINC000992147937 637323111 /nfs/dbraw/zinc/32/31/11/637323111.db2.gz ALQRIEXQOJVKCS-DOMZBBRYSA-N 1 2 288.351 0.486 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC000992344529 637371443 /nfs/dbraw/zinc/37/14/43/637371443.db2.gz HXEGUNHAGXCKLH-SMDDNHRTSA-N 1 2 273.340 0.589 20 30 CCEDLO N#Cc1cc(CS(=O)(=O)NCCn2cc[nH+]c2)cs1 ZINC000913854347 637454314 /nfs/dbraw/zinc/45/43/14/637454314.db2.gz GMDAZFNWFRLDPT-UHFFFAOYSA-N 1 2 296.377 0.936 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1CC#N ZINC000994099132 637868965 /nfs/dbraw/zinc/86/89/65/637868965.db2.gz KSRDJAYMUOZKBW-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(CC#N)[C@H]1C ZINC000994295548 637917796 /nfs/dbraw/zinc/91/77/96/637917796.db2.gz BTJAAWFIERMJDP-RYUDHWBXSA-N 1 2 275.356 0.753 20 30 CCEDLO O=C(NCC#CCO)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000923760263 638060116 /nfs/dbraw/zinc/06/01/16/638060116.db2.gz JNKKLMISGZWITK-OAHLLOKOSA-N 1 2 298.346 0.919 20 30 CCEDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942513910 638661020 /nfs/dbraw/zinc/66/10/20/638661020.db2.gz FHAFOGUTJMRSLR-GFCCVEGCSA-N 1 2 286.335 0.083 20 30 CCEDLO C#CCC(C)(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000184441389 638682316 /nfs/dbraw/zinc/68/23/16/638682316.db2.gz BXSZZCSWBYAYMJ-CYBMUJFWSA-N 1 2 282.384 0.187 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097311 638762200 /nfs/dbraw/zinc/76/22/00/638762200.db2.gz GQFXFQZBPRLBQV-DGCLKSJQSA-N 1 2 275.356 0.313 20 30 CCEDLO CC(C)(C(=O)N1CCC(NCC#N)CC1)c1c[nH+]c[nH]1 ZINC000997182227 638858213 /nfs/dbraw/zinc/85/82/13/638858213.db2.gz HAEPGOFMNYLXHA-UHFFFAOYSA-N 1 2 275.356 0.791 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545841 638985473 /nfs/dbraw/zinc/98/54/73/638985473.db2.gz LLAJAEUELAZJQK-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H](CC(=O)N1CCC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001000336518 639073261 /nfs/dbraw/zinc/07/32/61/639073261.db2.gz NYYDGNNYHRYWJG-OLZOCXBDSA-N 1 2 275.356 0.938 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001001116928 639238083 /nfs/dbraw/zinc/23/80/83/639238083.db2.gz OGMISWDNMKXSPS-UHFFFAOYSA-N 1 2 274.324 0.121 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001001116928 639238084 /nfs/dbraw/zinc/23/80/84/639238084.db2.gz OGMISWDNMKXSPS-UHFFFAOYSA-N 1 2 274.324 0.121 20 30 CCEDLO C#CCC[N@H+]1CC=C(CNC(=O)c2[nH]ncc2F)CC1 ZINC001001122727 639239969 /nfs/dbraw/zinc/23/99/69/639239969.db2.gz FQCSLQIJBIHYAV-UHFFFAOYSA-N 1 2 276.315 0.934 20 30 CCEDLO C#CCC[N@@H+]1CC=C(CNC(=O)c2[nH]ncc2F)CC1 ZINC001001122727 639239973 /nfs/dbraw/zinc/23/99/73/639239973.db2.gz FQCSLQIJBIHYAV-UHFFFAOYSA-N 1 2 276.315 0.934 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014925860 650504086 /nfs/dbraw/zinc/50/40/86/650504086.db2.gz SJZOPBNCWDLPFA-GFCCVEGCSA-N 1 2 298.408 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014925860 650504091 /nfs/dbraw/zinc/50/40/91/650504091.db2.gz SJZOPBNCWDLPFA-GFCCVEGCSA-N 1 2 298.408 0.188 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H](C#N)C2)c1 ZINC000922823691 639793689 /nfs/dbraw/zinc/79/36/89/639793689.db2.gz RYTCOOSYBRIHFP-LLVKDONJSA-N 1 2 261.329 0.908 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015526151 650577383 /nfs/dbraw/zinc/57/73/83/650577383.db2.gz YHHOBYCRMVWIDM-SECBINFHSA-N 1 2 284.747 0.682 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001015526151 650577385 /nfs/dbraw/zinc/57/73/85/650577385.db2.gz YHHOBYCRMVWIDM-SECBINFHSA-N 1 2 284.747 0.682 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000801911759 640673399 /nfs/dbraw/zinc/67/33/99/640673399.db2.gz BQWNKFSHTHIVOW-OLZOCXBDSA-N 1 2 281.356 0.238 20 30 CCEDLO C=CCCC[N@@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000839998809 640730601 /nfs/dbraw/zinc/73/06/01/640730601.db2.gz IVGGKTGZASTZJM-UHFFFAOYSA-N 1 2 260.297 0.928 20 30 CCEDLO C=CCCC[N@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000839998809 640730606 /nfs/dbraw/zinc/73/06/06/640730606.db2.gz IVGGKTGZASTZJM-UHFFFAOYSA-N 1 2 260.297 0.928 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015659489 650603169 /nfs/dbraw/zinc/60/31/69/650603169.db2.gz BUSJGVGUMQFPRO-LBPRGKRZSA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015659489 650603172 /nfs/dbraw/zinc/60/31/72/650603172.db2.gz BUSJGVGUMQFPRO-LBPRGKRZSA-N 1 2 265.357 0.409 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015665108 650604511 /nfs/dbraw/zinc/60/45/11/650604511.db2.gz FUIAHLUUUDQRBD-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015665108 650604513 /nfs/dbraw/zinc/60/45/13/650604513.db2.gz FUIAHLUUUDQRBD-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015775881 650627118 /nfs/dbraw/zinc/62/71/18/650627118.db2.gz VCJXTKIONSRRDS-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015775881 650627120 /nfs/dbraw/zinc/62/71/20/650627120.db2.gz VCJXTKIONSRRDS-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C[C@H](O)CN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000814963816 641085972 /nfs/dbraw/zinc/08/59/72/641085972.db2.gz QOPMIZULMVCIED-QMMMGPOBSA-N 1 2 298.778 0.617 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835021 650636854 /nfs/dbraw/zinc/63/68/54/650636854.db2.gz PKNQURVGXNNKNT-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835021 650636855 /nfs/dbraw/zinc/63/68/55/650636855.db2.gz PKNQURVGXNNKNT-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015989130 650671315 /nfs/dbraw/zinc/67/13/15/650671315.db2.gz MPIKLDNALWAPRJ-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015989130 650671316 /nfs/dbraw/zinc/67/13/16/650671316.db2.gz MPIKLDNALWAPRJ-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015989130 650671319 /nfs/dbraw/zinc/67/13/19/650671319.db2.gz MPIKLDNALWAPRJ-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015989130 650671321 /nfs/dbraw/zinc/67/13/21/650671321.db2.gz MPIKLDNALWAPRJ-NWDGAFQWSA-N 1 2 289.383 0.676 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCOC1(C)C ZINC000835016790 642645805 /nfs/dbraw/zinc/64/58/05/642645805.db2.gz HPMHMPXQDIMYHY-SECBINFHSA-N 1 2 265.317 0.558 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000837440111 642744940 /nfs/dbraw/zinc/74/49/40/642744940.db2.gz JEQAIWXEKYVXNG-CQSZACIVSA-N 1 2 262.353 0.723 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#CC1CC1 ZINC000837629911 642759112 /nfs/dbraw/zinc/75/91/12/642759112.db2.gz LMTBUQJSWTURCM-GXTWGEPZSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001017310650 650793156 /nfs/dbraw/zinc/79/31/56/650793156.db2.gz YMQQLBCTFJJWOO-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001017310650 650793158 /nfs/dbraw/zinc/79/31/58/650793158.db2.gz YMQQLBCTFJJWOO-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001017475660 650804825 /nfs/dbraw/zinc/80/48/25/650804825.db2.gz FCSYMHYCDPYSPR-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001017475660 650804826 /nfs/dbraw/zinc/80/48/26/650804826.db2.gz FCSYMHYCDPYSPR-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001017595534 650812828 /nfs/dbraw/zinc/81/28/28/650812828.db2.gz GCSWWDXTYRPUBB-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001017595534 650812830 /nfs/dbraw/zinc/81/28/30/650812830.db2.gz GCSWWDXTYRPUBB-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001017681805 650817384 /nfs/dbraw/zinc/81/73/84/650817384.db2.gz SIHXCHLRLPNDFH-YUELXQCFSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017702924 650818751 /nfs/dbraw/zinc/81/87/51/650818751.db2.gz ZTPFKPZEPXFOPG-TXEJJXNPSA-N 1 2 284.363 0.820 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017702924 650818753 /nfs/dbraw/zinc/81/87/53/650818753.db2.gz ZTPFKPZEPXFOPG-TXEJJXNPSA-N 1 2 284.363 0.820 20 30 CCEDLO N#Cc1c(Cl)nsc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845723742 643340601 /nfs/dbraw/zinc/34/06/01/643340601.db2.gz QVDZINSRMXGUJZ-MRVPVSSYSA-N 1 2 284.772 0.923 20 30 CCEDLO N#Cc1c(Cl)nsc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845723742 643340606 /nfs/dbraw/zinc/34/06/06/643340606.db2.gz QVDZINSRMXGUJZ-MRVPVSSYSA-N 1 2 284.772 0.923 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C#CC1CC1)C2 ZINC000846123067 643380951 /nfs/dbraw/zinc/38/09/51/643380951.db2.gz SJNKOQHRHYADJB-CYBMUJFWSA-N 1 2 287.363 0.571 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001017989396 650839199 /nfs/dbraw/zinc/83/91/99/650839199.db2.gz GTZJHOIBPPIXNK-BETUJISGSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001017989396 650839200 /nfs/dbraw/zinc/83/92/00/650839200.db2.gz GTZJHOIBPPIXNK-BETUJISGSA-N 1 2 258.325 0.951 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cccnn12 ZINC001018040825 650841118 /nfs/dbraw/zinc/84/11/18/650841118.db2.gz IAHZVSMAHFXWEK-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cccnn12 ZINC001018040825 650841121 /nfs/dbraw/zinc/84/11/21/650841121.db2.gz IAHZVSMAHFXWEK-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]c1 ZINC001018233698 650848730 /nfs/dbraw/zinc/84/87/30/650848730.db2.gz LGKKUGUNZJUAAJ-BETUJISGSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]c1 ZINC001018233698 650848732 /nfs/dbraw/zinc/84/87/32/650848732.db2.gz LGKKUGUNZJUAAJ-BETUJISGSA-N 1 2 271.320 0.709 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851744296 643875940 /nfs/dbraw/zinc/87/59/40/643875940.db2.gz BBQCOSUACLEBEN-RISCZKNCSA-N 1 2 261.325 0.451 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851744296 643875943 /nfs/dbraw/zinc/87/59/43/643875943.db2.gz BBQCOSUACLEBEN-RISCZKNCSA-N 1 2 261.325 0.451 20 30 CCEDLO C=CC[N@@H+](CCOC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000851841176 643891000 /nfs/dbraw/zinc/89/10/00/643891000.db2.gz NRMNTRWDPFMSQN-VIFPVBQESA-N 1 2 269.313 0.901 20 30 CCEDLO C=CC[N@H+](CCOC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000851841176 643891004 /nfs/dbraw/zinc/89/10/04/643891004.db2.gz NRMNTRWDPFMSQN-VIFPVBQESA-N 1 2 269.313 0.901 20 30 CCEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)NCCC#N ZINC000852440971 643966310 /nfs/dbraw/zinc/96/63/10/643966310.db2.gz JBOSENFPXRRMPG-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)NCCC#N ZINC000852440971 643966313 /nfs/dbraw/zinc/96/63/13/643966313.db2.gz JBOSENFPXRRMPG-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651802 643985007 /nfs/dbraw/zinc/98/50/07/643985007.db2.gz SIABMCUXBRUBLA-UHFFFAOYSA-N 1 2 277.368 0.907 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651802 643985013 /nfs/dbraw/zinc/98/50/13/643985013.db2.gz SIABMCUXBRUBLA-UHFFFAOYSA-N 1 2 277.368 0.907 20 30 CCEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)NCCC#N)C1 ZINC000854056354 644172575 /nfs/dbraw/zinc/17/25/75/644172575.db2.gz HOTPMXCRAHVOBA-UHFFFAOYSA-N 1 2 275.356 0.824 20 30 CCEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)NCCC#N)C1 ZINC000854056354 644172578 /nfs/dbraw/zinc/17/25/78/644172578.db2.gz HOTPMXCRAHVOBA-UHFFFAOYSA-N 1 2 275.356 0.824 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859270284 644681010 /nfs/dbraw/zinc/68/10/10/644681010.db2.gz OAHDLTRWNDZVTI-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859270284 644681016 /nfs/dbraw/zinc/68/10/16/644681016.db2.gz OAHDLTRWNDZVTI-QWHCGFSZSA-N 1 2 295.383 0.220 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860165325 644777649 /nfs/dbraw/zinc/77/76/49/644777649.db2.gz PCQYBAWFHGZVMA-JHJVBQTASA-N 1 2 285.303 0.189 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860165325 644777655 /nfs/dbraw/zinc/77/76/55/644777655.db2.gz PCQYBAWFHGZVMA-JHJVBQTASA-N 1 2 285.303 0.189 20 30 CCEDLO O=C1CN=C(NN=C2CC[N@H+](Cc3ccccc3)C2)N1 ZINC000863174621 645065432 /nfs/dbraw/zinc/06/54/32/645065432.db2.gz UHUWTOLDBLHBCU-UHFFFAOYSA-N 1 2 271.324 0.324 20 30 CCEDLO O=C1CN=C(NN=C2CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000863174621 645065438 /nfs/dbraw/zinc/06/54/38/645065438.db2.gz UHUWTOLDBLHBCU-UHFFFAOYSA-N 1 2 271.324 0.324 20 30 CCEDLO N#C[C@]1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000868720689 645808241 /nfs/dbraw/zinc/80/82/41/645808241.db2.gz NVSSKNKBCRHAIN-VNHYZAJKSA-N 1 2 293.367 0.286 20 30 CCEDLO N#C[C@]1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000868720689 645808246 /nfs/dbraw/zinc/80/82/46/645808246.db2.gz NVSSKNKBCRHAIN-VNHYZAJKSA-N 1 2 293.367 0.286 20 30 CCEDLO C[S@](=N)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000872101585 646209729 /nfs/dbraw/zinc/20/97/29/646209729.db2.gz VEWDOCRCFQJQGU-PSVSLLHZSA-N 1 2 256.375 0.888 20 30 CCEDLO N#Cc1ccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)nc1 ZINC000875516267 646536699 /nfs/dbraw/zinc/53/66/99/646536699.db2.gz QJIFSFLPMFRZFJ-LBPRGKRZSA-N 1 2 282.307 0.574 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCC2(CC1)OCCO2 ZINC000878817324 646985444 /nfs/dbraw/zinc/98/54/44/646985444.db2.gz CQYXSJJVONOEKI-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000878820943 646986737 /nfs/dbraw/zinc/98/67/37/646986737.db2.gz RIAWGVJEURTECM-JTQLQIEISA-N 1 2 290.385 0.635 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CN(C3CC3)C(=O)O2)nn1 ZINC000881358431 647305494 /nfs/dbraw/zinc/30/54/94/647305494.db2.gz LZEZVZFGKHQWGJ-CYBMUJFWSA-N 1 2 289.339 0.374 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@H]2COC(C)(C)O2)nn1 ZINC000881393875 647308828 /nfs/dbraw/zinc/30/88/28/647308828.db2.gz MEQFXMYRFDGBCH-ZDUSSCGKSA-N 1 2 278.356 0.933 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccccn2)nn1 ZINC000881413080 647313642 /nfs/dbraw/zinc/31/36/42/647313642.db2.gz WUZUHALJJMMDPO-CQSZACIVSA-N 1 2 271.324 0.520 20 30 CCEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000129232629 647338326 /nfs/dbraw/zinc/33/83/26/647338326.db2.gz QPNPLERLLJMZMT-UGFHNGPFSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000129232629 647338332 /nfs/dbraw/zinc/33/83/32/647338332.db2.gz QPNPLERLLJMZMT-UGFHNGPFSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cn1 ZINC000889221296 648196279 /nfs/dbraw/zinc/19/62/79/648196279.db2.gz ZFOWTVZFKAJPIS-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cncc(C#N)c2)CC1 ZINC000929993626 648809616 /nfs/dbraw/zinc/80/96/16/648809616.db2.gz MVMDCFHXYYCKAD-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](O)CC#N ZINC000930113473 648824468 /nfs/dbraw/zinc/82/44/68/648824468.db2.gz DXBUFVOSBJOXFA-CQSZACIVSA-N 1 2 268.405 0.219 20 30 CCEDLO C[C@@H]1C[NH+](Cc2[nH]nc3c2COCC3)C[C@@H](C)N1CC#N ZINC000930829308 648911926 /nfs/dbraw/zinc/91/19/26/648911926.db2.gz RZGMUINNEWOROZ-VXGBXAGGSA-N 1 2 289.383 0.901 20 30 CCEDLO COc1cncc(N2CC[NH+](C[C@H](O)CC#N)CC2)c1 ZINC000931213451 648965605 /nfs/dbraw/zinc/96/56/05/648965605.db2.gz YGUWKYPTHLPXNH-CYBMUJFWSA-N 1 2 276.340 0.487 20 30 CCEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)no1 ZINC000931941487 649037036 /nfs/dbraw/zinc/03/70/36/649037036.db2.gz QAZVYQROOPCLCL-NSHDSACASA-N 1 2 289.339 0.730 20 30 CCEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)no1 ZINC000931941487 649037039 /nfs/dbraw/zinc/03/70/39/649037039.db2.gz QAZVYQROOPCLCL-NSHDSACASA-N 1 2 289.339 0.730 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N1CCO[C@](C)(C#N)C1 ZINC000933605685 649129191 /nfs/dbraw/zinc/12/91/91/649129191.db2.gz RCFBFSAYPMYSKA-CHWSQXEVSA-N 1 2 253.346 0.322 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000049126343 649330340 /nfs/dbraw/zinc/33/03/40/649330340.db2.gz XWBVXOUIHMLLBS-UHFFFAOYSA-N 1 2 278.381 0.405 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000049126343 649330345 /nfs/dbraw/zinc/33/03/45/649330345.db2.gz XWBVXOUIHMLLBS-UHFFFAOYSA-N 1 2 278.381 0.405 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(CC#N)CC1 ZINC000949427877 649423403 /nfs/dbraw/zinc/42/34/03/649423403.db2.gz DMSYFFCOPVBWPR-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951870251 649568556 /nfs/dbraw/zinc/56/85/56/649568556.db2.gz PMRORTMCZCENED-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007261026 649726395 /nfs/dbraw/zinc/72/63/95/649726395.db2.gz PEOWJSGMVUGSDS-ZJUUUORDSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007261026 649726398 /nfs/dbraw/zinc/72/63/98/649726398.db2.gz PEOWJSGMVUGSDS-ZJUUUORDSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC000957426731 649748144 /nfs/dbraw/zinc/74/81/44/649748144.db2.gz FLFIAHKTJNOLSA-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(c2ncnc(C(=O)OC)c2OC)CC1 ZINC001165035832 721873548 /nfs/dbraw/zinc/87/35/48/721873548.db2.gz XGTTZHFVHWAJJD-UHFFFAOYSA-N 1 2 292.339 0.580 20 30 CCEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)NC1CC1 ZINC001266273103 790372989 /nfs/dbraw/zinc/37/29/89/790372989.db2.gz KPHUDQCVBISJTQ-UHFFFAOYSA-N 1 2 279.384 0.363 20 30 CCEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)NC1CC1 ZINC001266273103 790372999 /nfs/dbraw/zinc/37/29/99/790372999.db2.gz KPHUDQCVBISJTQ-UHFFFAOYSA-N 1 2 279.384 0.363 20 30 CCEDLO CC#CCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266290347 790426932 /nfs/dbraw/zinc/42/69/32/790426932.db2.gz WNSGBEZEAVNAQP-UHFFFAOYSA-N 1 2 276.384 0.437 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1CC ZINC001039038660 790438204 /nfs/dbraw/zinc/43/82/04/790438204.db2.gz UUDSKJJJANFSON-LLVKDONJSA-N 1 2 258.325 0.476 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1CC ZINC001039038660 790438210 /nfs/dbraw/zinc/43/82/10/790438210.db2.gz UUDSKJJJANFSON-LLVKDONJSA-N 1 2 258.325 0.476 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC001038170899 790485509 /nfs/dbraw/zinc/48/55/09/790485509.db2.gz YFIIGSYQLFRMHZ-SECBINFHSA-N 1 2 251.286 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC001038170899 790485511 /nfs/dbraw/zinc/48/55/11/790485511.db2.gz YFIIGSYQLFRMHZ-SECBINFHSA-N 1 2 251.286 0.673 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001266337744 790539233 /nfs/dbraw/zinc/53/92/33/790539233.db2.gz OFHOQUNQVHOCRD-JSGCOSHPSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001266337744 790539235 /nfs/dbraw/zinc/53/92/35/790539235.db2.gz OFHOQUNQVHOCRD-JSGCOSHPSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230651963 805641157 /nfs/dbraw/zinc/64/11/57/805641157.db2.gz SYJBXLHPYJLMBG-ZDUSSCGKSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230651963 805641164 /nfs/dbraw/zinc/64/11/64/805641164.db2.gz SYJBXLHPYJLMBG-ZDUSSCGKSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266363654 790595490 /nfs/dbraw/zinc/59/54/90/790595490.db2.gz LARUNBHYJOLVET-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266363654 790595500 /nfs/dbraw/zinc/59/55/00/790595500.db2.gz LARUNBHYJOLVET-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)CCCS(C)(=O)=O ZINC001266485420 790777554 /nfs/dbraw/zinc/77/75/54/790777554.db2.gz BKIDEIOMZAUUPV-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCS(C)(=O)=O ZINC001266485420 790777563 /nfs/dbraw/zinc/77/75/63/790777563.db2.gz BKIDEIOMZAUUPV-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001266477990 790773286 /nfs/dbraw/zinc/77/32/86/790773286.db2.gz YGFIIGXBFWZONL-OCCSQVGLSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001266477990 790773291 /nfs/dbraw/zinc/77/32/91/790773291.db2.gz YGFIIGXBFWZONL-OCCSQVGLSA-N 1 2 297.374 0.311 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(=O)C1CC1 ZINC001266487065 790780004 /nfs/dbraw/zinc/78/00/04/790780004.db2.gz ZLYWQZWBGGLDHI-OKILXGFUSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(=O)C1CC1 ZINC001266487065 790780012 /nfs/dbraw/zinc/78/00/12/790780012.db2.gz ZLYWQZWBGGLDHI-OKILXGFUSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001083328260 790791006 /nfs/dbraw/zinc/79/10/06/790791006.db2.gz HIHLHPMBGVIINH-NEPJUHHUSA-N 1 2 264.350 0.546 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001083328260 790791014 /nfs/dbraw/zinc/79/10/14/790791014.db2.gz HIHLHPMBGVIINH-NEPJUHHUSA-N 1 2 264.350 0.546 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001230875738 805682108 /nfs/dbraw/zinc/68/21/08/805682108.db2.gz AKOHKCOVBFBTQG-LLVKDONJSA-N 1 2 294.380 0.334 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001230875738 805682112 /nfs/dbraw/zinc/68/21/12/805682112.db2.gz AKOHKCOVBFBTQG-LLVKDONJSA-N 1 2 294.380 0.334 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)COC(C)C ZINC001231054677 805717045 /nfs/dbraw/zinc/71/70/45/805717045.db2.gz WZBRADCZXSDVOS-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)COC(C)C ZINC001231054677 805717048 /nfs/dbraw/zinc/71/70/48/805717048.db2.gz WZBRADCZXSDVOS-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231104344 805730894 /nfs/dbraw/zinc/73/08/94/805730894.db2.gz XLYLQGWSGIDSIC-KBPBESRZSA-N 1 2 282.384 0.594 20 30 CCEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231104344 805730899 /nfs/dbraw/zinc/73/08/99/805730899.db2.gz XLYLQGWSGIDSIC-KBPBESRZSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231123426 805734615 /nfs/dbraw/zinc/73/46/15/805734615.db2.gz TYRXYQLFBWXLAB-ZIAGYGMSSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231123426 805734622 /nfs/dbraw/zinc/73/46/22/805734622.db2.gz TYRXYQLFBWXLAB-ZIAGYGMSSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)COC ZINC001231209533 805750908 /nfs/dbraw/zinc/75/09/08/805750908.db2.gz WJMLNSZNCFYGRP-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)COC ZINC001231209533 805750909 /nfs/dbraw/zinc/75/09/09/805750909.db2.gz WJMLNSZNCFYGRP-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231209531 805751044 /nfs/dbraw/zinc/75/10/44/805751044.db2.gz WJMLNSZNCFYGRP-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231209531 805751048 /nfs/dbraw/zinc/75/10/48/805751048.db2.gz WJMLNSZNCFYGRP-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccn[nH]1 ZINC001231407936 805795434 /nfs/dbraw/zinc/79/54/34/805795434.db2.gz QTKBEZAZPDIDKB-CYBMUJFWSA-N 1 2 260.341 0.508 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccn[nH]1 ZINC001231407936 805795442 /nfs/dbraw/zinc/79/54/42/805795442.db2.gz QTKBEZAZPDIDKB-CYBMUJFWSA-N 1 2 260.341 0.508 20 30 CCEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOCCO)C2)CC1 ZINC001277651735 805926821 /nfs/dbraw/zinc/92/68/21/805926821.db2.gz HXPUIRIXGJCVRO-UHFFFAOYSA-N 1 2 296.411 0.884 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCN2CCCC2=O)C1 ZINC001277699264 805968813 /nfs/dbraw/zinc/96/88/13/805968813.db2.gz AMUDMMXVQJHTTL-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO CN(C)C(=O)C1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232679158 805969637 /nfs/dbraw/zinc/96/96/37/805969637.db2.gz FJKREUPMFUYSFW-UHFFFAOYSA-N 1 2 259.309 0.784 20 30 CCEDLO CN(C)c1ccc(C[NH+]2CC(C(N)=O)C2)c(F)c1C#N ZINC001233101942 806019148 /nfs/dbraw/zinc/01/91/48/806019148.db2.gz KQMOWQMGAUGYPI-UHFFFAOYSA-N 1 2 276.315 0.680 20 30 CCEDLO CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266832141 791275960 /nfs/dbraw/zinc/27/59/60/791275960.db2.gz IFJCQDPCCNUASV-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266832141 791275964 /nfs/dbraw/zinc/27/59/64/791275964.db2.gz IFJCQDPCCNUASV-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NC[C@H](C)NCC#N ZINC001266947190 791382430 /nfs/dbraw/zinc/38/24/30/791382430.db2.gz CPXPECNEHYFKIL-JTQLQIEISA-N 1 2 262.313 0.251 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001038235574 791490187 /nfs/dbraw/zinc/49/01/87/791490187.db2.gz PVKQKEMWUFAINS-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001038235574 791490196 /nfs/dbraw/zinc/49/01/96/791490196.db2.gz PVKQKEMWUFAINS-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549046 806080392 /nfs/dbraw/zinc/08/03/92/806080392.db2.gz JWAFFGNLCVYNFC-UWUHSAQLSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549046 806080402 /nfs/dbraw/zinc/08/04/02/806080402.db2.gz JWAFFGNLCVYNFC-UWUHSAQLSA-N 1 2 277.368 0.235 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001267205183 791670356 /nfs/dbraw/zinc/67/03/56/791670356.db2.gz VRPYZRKTOKRZEM-MGPQQGTHSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001267205183 791670359 /nfs/dbraw/zinc/67/03/59/791670359.db2.gz VRPYZRKTOKRZEM-MGPQQGTHSA-N 1 2 293.411 0.773 20 30 CCEDLO COC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2nnn(C)c21 ZINC001237462817 806670896 /nfs/dbraw/zinc/67/08/96/806670896.db2.gz MAYVXKXDMJKDHC-GFCCVEGCSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2nnn(C)c21 ZINC001237462817 806670899 /nfs/dbraw/zinc/67/08/99/806670899.db2.gz MAYVXKXDMJKDHC-GFCCVEGCSA-N 1 2 298.350 0.828 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001121278990 799026007 /nfs/dbraw/zinc/02/60/07/799026007.db2.gz OPQILHVQBJPRKU-COPLHBTASA-N 1 2 277.372 0.185 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001121278990 799026009 /nfs/dbraw/zinc/02/60/09/799026009.db2.gz OPQILHVQBJPRKU-COPLHBTASA-N 1 2 277.372 0.185 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001123795632 799476291 /nfs/dbraw/zinc/47/62/91/799476291.db2.gz SDWYHNJPLPGOMD-KBPBESRZSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001123795632 799476294 /nfs/dbraw/zinc/47/62/94/799476294.db2.gz SDWYHNJPLPGOMD-KBPBESRZSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnn(CCOC)c2)CC1 ZINC001139780738 799844075 /nfs/dbraw/zinc/84/40/75/799844075.db2.gz CHMWBAMKXHWAAI-UHFFFAOYSA-N 1 2 262.357 0.280 20 30 CCEDLO CCc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC001238778114 806805162 /nfs/dbraw/zinc/80/51/62/806805162.db2.gz KOEIXTVJKVFSOJ-CQSZACIVSA-N 1 2 273.336 0.807 20 30 CCEDLO CCc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC001238778114 806805169 /nfs/dbraw/zinc/80/51/69/806805169.db2.gz KOEIXTVJKVFSOJ-CQSZACIVSA-N 1 2 273.336 0.807 20 30 CCEDLO N#CCN1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827194 800301316 /nfs/dbraw/zinc/30/13/16/800301316.db2.gz MACPNLIQCMFBLW-ZDUSSCGKSA-N 1 2 291.355 0.073 20 30 CCEDLO N#CCN1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827194 800301322 /nfs/dbraw/zinc/30/13/22/800301322.db2.gz MACPNLIQCMFBLW-ZDUSSCGKSA-N 1 2 291.355 0.073 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152971012 800575753 /nfs/dbraw/zinc/57/57/53/800575753.db2.gz HKLITEYNEIMBEP-SECBINFHSA-N 1 2 255.281 0.500 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001153091695 800596301 /nfs/dbraw/zinc/59/63/01/800596301.db2.gz ZKXXDBWBJIVFLO-LLVKDONJSA-N 1 2 296.371 0.992 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001153148831 800601358 /nfs/dbraw/zinc/60/13/58/800601358.db2.gz MSDGYARLZFHKPM-ZJUUUORDSA-N 1 2 284.385 0.896 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001154151083 800730315 /nfs/dbraw/zinc/73/03/15/800730315.db2.gz GXGBEIKEYDPTOO-LLVKDONJSA-N 1 2 274.368 0.972 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001154151083 800730319 /nfs/dbraw/zinc/73/03/19/800730319.db2.gz GXGBEIKEYDPTOO-LLVKDONJSA-N 1 2 274.368 0.972 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001154525665 800793560 /nfs/dbraw/zinc/79/35/60/800793560.db2.gz RNIJMPLRYPBCMP-VIFPVBQESA-N 1 2 272.264 0.519 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)nc1 ZINC001156321228 801149829 /nfs/dbraw/zinc/14/98/29/801149829.db2.gz VPHVUJXOWFXQRA-QMMMGPOBSA-N 1 2 273.674 0.977 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3c(C)cccn23)CC1 ZINC001156349502 801155763 /nfs/dbraw/zinc/15/57/63/801155763.db2.gz DHPBSDUVWNTMQY-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001156485170 801174553 /nfs/dbraw/zinc/17/45/53/801174553.db2.gz BYMVYGZCFIBVSS-JSGCOSHPSA-N 1 2 270.373 0.493 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001157026341 801289325 /nfs/dbraw/zinc/28/93/25/801289325.db2.gz ZNZFOMIVNYXPEH-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001157026341 801289329 /nfs/dbraw/zinc/28/93/29/801289329.db2.gz ZNZFOMIVNYXPEH-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(NC(CO)(CO)CO)c2c1 ZINC001157149344 801311854 /nfs/dbraw/zinc/31/18/54/801311854.db2.gz FAVDNPNCHHODMA-UHFFFAOYSA-N 1 2 273.292 0.234 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001157869944 801507303 /nfs/dbraw/zinc/50/73/03/801507303.db2.gz VAJDTDBKCHSDJW-WDEREUQCSA-N 1 2 294.355 0.573 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158751105 801698487 /nfs/dbraw/zinc/69/84/87/801698487.db2.gz TZCJVBDVUTVJPU-CYBMUJFWSA-N 1 2 289.383 0.799 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CC2CCOCC2)C1 ZINC001278848308 808327657 /nfs/dbraw/zinc/32/76/57/808327657.db2.gz FQAQRKAOBMQPSJ-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[NH2+]1 ZINC001164300364 802712610 /nfs/dbraw/zinc/71/26/10/802712610.db2.gz OMCYHUJSXRBRQH-YUMQZZPRSA-N 1 2 291.267 0.177 20 30 CCEDLO N#CCNC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001280488237 810025783 /nfs/dbraw/zinc/02/57/83/810025783.db2.gz PIMRKLVPGXIUCK-GFCCVEGCSA-N 1 2 287.367 0.598 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001164650830 802775363 /nfs/dbraw/zinc/77/53/63/802775363.db2.gz BXVBWGDACMEFIK-GFCCVEGCSA-N 1 2 299.334 0.032 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001267805199 811801494 /nfs/dbraw/zinc/80/14/94/811801494.db2.gz NPGFHQMLCVIZQY-PWSUYJOCSA-N 1 2 294.355 0.401 20 30 CCEDLO CC1=C(OCCCN2CC[NH+](C)CC2)C(=O)[C@@H](C)O1 ZINC001206589876 803271997 /nfs/dbraw/zinc/27/19/97/803271997.db2.gz HKLGQEDVYCLHKE-LLVKDONJSA-N 1 2 268.357 0.860 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038428268 813908442 /nfs/dbraw/zinc/90/84/42/813908442.db2.gz WQZXJGCDOBQYCH-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038428268 813908445 /nfs/dbraw/zinc/90/84/45/813908445.db2.gz WQZXJGCDOBQYCH-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO O=c1[nH]ccn2c(C[NH2+]CC#Cc3ccccc3)nnc12 ZINC001207582260 803422304 /nfs/dbraw/zinc/42/23/04/803422304.db2.gz XPTSCDBLDDUGHO-UHFFFAOYSA-N 1 2 279.303 0.559 20 30 CCEDLO COc1nccc(C[NH2+]CC2(C#N)CCOCC2)n1 ZINC001207773534 803448578 /nfs/dbraw/zinc/44/85/78/803448578.db2.gz FNHFCQJNNNIYKK-UHFFFAOYSA-N 1 2 262.313 0.895 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2OC)CC1 ZINC001213387055 803692873 /nfs/dbraw/zinc/69/28/73/803692873.db2.gz KFNLOKBJFKZXOP-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2OC)CC1 ZINC001213387055 803692875 /nfs/dbraw/zinc/69/28/75/803692875.db2.gz KFNLOKBJFKZXOP-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCCC=C)[C@H](OC)C1 ZINC001213957696 803708221 /nfs/dbraw/zinc/70/82/21/803708221.db2.gz MBNRHRNPMLFSSF-CHWSQXEVSA-N 1 2 266.341 0.028 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCCC=C)[C@H](OC)C1 ZINC001213957696 803708225 /nfs/dbraw/zinc/70/82/25/803708225.db2.gz MBNRHRNPMLFSSF-CHWSQXEVSA-N 1 2 266.341 0.028 20 30 CCEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NCC#N ZINC001216986818 803861791 /nfs/dbraw/zinc/86/17/91/803861791.db2.gz AOAUBRBRRHWHDE-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO N=C(c1ccccc1N)N(O)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001218966842 804167165 /nfs/dbraw/zinc/16/71/65/804167165.db2.gz YGAQSYBVJFDWPR-LLVKDONJSA-N 1 2 288.311 0.105 20 30 CCEDLO N=C(c1ccccc1N)N(O)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001218966842 804167166 /nfs/dbraw/zinc/16/71/66/804167166.db2.gz YGAQSYBVJFDWPR-LLVKDONJSA-N 1 2 288.311 0.105 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219181024 804226244 /nfs/dbraw/zinc/22/62/44/804226244.db2.gz ZXBCGDCTHOYBLK-NEPJUHHUSA-N 1 2 254.330 0.093 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219181024 804226252 /nfs/dbraw/zinc/22/62/52/804226252.db2.gz ZXBCGDCTHOYBLK-NEPJUHHUSA-N 1 2 254.330 0.093 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSC(C)C)[C@@H](O)C1 ZINC001219218825 804240954 /nfs/dbraw/zinc/24/09/54/804240954.db2.gz ZFMGXTUMJMGHTK-NEPJUHHUSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSC(C)C)[C@@H](O)C1 ZINC001219218825 804240962 /nfs/dbraw/zinc/24/09/62/804240962.db2.gz ZFMGXTUMJMGHTK-NEPJUHHUSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001083450036 815003855 /nfs/dbraw/zinc/00/38/55/815003855.db2.gz ZCIVYIIBIKQIQC-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001083450036 815003862 /nfs/dbraw/zinc/00/38/62/815003862.db2.gz ZCIVYIIBIKQIQC-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219299406 804264143 /nfs/dbraw/zinc/26/41/43/804264143.db2.gz BCLLPYFQAQWIAM-NMEJBFKPSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219299406 804264151 /nfs/dbraw/zinc/26/41/51/804264151.db2.gz BCLLPYFQAQWIAM-NMEJBFKPSA-N 1 2 280.368 0.154 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212096642 815009042 /nfs/dbraw/zinc/00/90/42/815009042.db2.gz GRTORFPNFWONBP-SNBRUFEUSA-N 1 2 280.368 0.418 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212096642 815009047 /nfs/dbraw/zinc/00/90/47/815009047.db2.gz GRTORFPNFWONBP-SNBRUFEUSA-N 1 2 280.368 0.418 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 ZINC001212095163 815009452 /nfs/dbraw/zinc/00/94/52/815009452.db2.gz ULSCNSREONMVIH-RLLAQXBXSA-N 1 2 295.383 0.070 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 ZINC001212095163 815009457 /nfs/dbraw/zinc/00/94/57/815009457.db2.gz ULSCNSREONMVIH-RLLAQXBXSA-N 1 2 295.383 0.070 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219707868 804410709 /nfs/dbraw/zinc/41/07/09/804410709.db2.gz JIQHQVPVUUZKTL-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001219707868 804410713 /nfs/dbraw/zinc/41/07/13/804410713.db2.gz JIQHQVPVUUZKTL-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC12CC2 ZINC001272117718 815016646 /nfs/dbraw/zinc/01/66/46/815016646.db2.gz OLPITCAJUOZPGK-GFCCVEGCSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC12CC2 ZINC001272117718 815016651 /nfs/dbraw/zinc/01/66/51/815016651.db2.gz OLPITCAJUOZPGK-GFCCVEGCSA-N 1 2 279.384 0.479 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220133714 804508596 /nfs/dbraw/zinc/50/85/96/804508596.db2.gz LXPOERNNPCNNIG-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220133714 804508598 /nfs/dbraw/zinc/50/85/98/804508598.db2.gz LXPOERNNPCNNIG-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO Cc1cnc(C[NH2+]CCN(CCO)C(=O)C#CC(C)C)o1 ZINC001272162072 815034311 /nfs/dbraw/zinc/03/43/11/815034311.db2.gz FYVHHHQVVFMXGB-UHFFFAOYSA-N 1 2 293.367 0.553 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221529919 804829637 /nfs/dbraw/zinc/82/96/37/804829637.db2.gz RBNKQKLLTADCHF-MGPQQGTHSA-N 1 2 289.379 0.067 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221529919 804829643 /nfs/dbraw/zinc/82/96/43/804829643.db2.gz RBNKQKLLTADCHF-MGPQQGTHSA-N 1 2 289.379 0.067 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221760858 804843600 /nfs/dbraw/zinc/84/36/00/804843600.db2.gz SBHTZYWDQUYIEB-JHJVBQTASA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221760858 804843607 /nfs/dbraw/zinc/84/36/07/804843607.db2.gz SBHTZYWDQUYIEB-JHJVBQTASA-N 1 2 279.384 0.607 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001276843131 804936350 /nfs/dbraw/zinc/93/63/50/804936350.db2.gz VDAXDJAAKCNFKN-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001276843131 804936351 /nfs/dbraw/zinc/93/63/51/804936351.db2.gz VDAXDJAAKCNFKN-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccnc2C#N)C[N@@H+]1C ZINC001223059654 804953392 /nfs/dbraw/zinc/95/33/92/804953392.db2.gz WKDVJSBYWNAQRF-YPMHNXCESA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccnc2C#N)C[N@H+]1C ZINC001223059654 804953399 /nfs/dbraw/zinc/95/33/99/804953399.db2.gz WKDVJSBYWNAQRF-YPMHNXCESA-N 1 2 275.308 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001276980224 805052228 /nfs/dbraw/zinc/05/22/28/805052228.db2.gz TYWBRBJOIPKVMI-NWDGAFQWSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001276980224 805052238 /nfs/dbraw/zinc/05/22/38/805052238.db2.gz TYWBRBJOIPKVMI-NWDGAFQWSA-N 1 2 289.335 0.222 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1CC#N ZINC001088678304 815056616 /nfs/dbraw/zinc/05/66/16/815056616.db2.gz OTHQRAWELKSMMI-AGIUHOORSA-N 1 2 287.367 0.548 20 30 CCEDLO CC(=O)c1c[nH]c(=O)nc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226237371 805209195 /nfs/dbraw/zinc/20/91/95/805209195.db2.gz JCRATJXAIAWAPL-ZQLNZSQWSA-N 1 2 291.307 0.376 20 30 CCEDLO CC(=O)c1c[nH]c(=O)nc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226237371 805209202 /nfs/dbraw/zinc/20/92/02/805209202.db2.gz JCRATJXAIAWAPL-ZQLNZSQWSA-N 1 2 291.307 0.376 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cccnn2)C1 ZINC001277205712 805345465 /nfs/dbraw/zinc/34/54/65/805345465.db2.gz OKVGFBJBZSPXBQ-CJNGLKHVSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cccnn2)C1 ZINC001277205712 805345475 /nfs/dbraw/zinc/34/54/75/805345475.db2.gz OKVGFBJBZSPXBQ-CJNGLKHVSA-N 1 2 297.362 0.813 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](NC2(C#N)Cc3ccccc3C2)C[NH2+]1 ZINC001246494022 807264090 /nfs/dbraw/zinc/26/40/90/807264090.db2.gz CPTGXQRVIQZJKI-KBPBESRZSA-N 1 2 285.347 0.541 20 30 CCEDLO C=CCOC(=O)c1c(N)nn(-c2c[nH+]c(N)c(C)c2)c1N ZINC001249783877 807568303 /nfs/dbraw/zinc/56/83/03/807568303.db2.gz COYVXVYHOVCFCM-UHFFFAOYSA-N 1 2 288.311 0.665 20 30 CCEDLO CC(C)[C@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251035692 807651099 /nfs/dbraw/zinc/65/10/99/807651099.db2.gz LIKRETSVRHEMEI-STQMWFEESA-N 1 2 255.362 0.207 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CC ZINC001251766808 807702371 /nfs/dbraw/zinc/70/23/71/807702371.db2.gz XWUVYLSRKVKXPC-DGCLKSJQSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CC ZINC001251766808 807702374 /nfs/dbraw/zinc/70/23/74/807702374.db2.gz XWUVYLSRKVKXPC-DGCLKSJQSA-N 1 2 280.372 0.688 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001251820887 807709358 /nfs/dbraw/zinc/70/93/58/807709358.db2.gz AUBVMVWVBMFTKE-CYBMUJFWSA-N 1 2 298.383 0.548 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001251881195 807732304 /nfs/dbraw/zinc/73/23/04/807732304.db2.gz PEGPYJDKIGQXPH-RYUDHWBXSA-N 1 2 257.330 0.174 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001252471458 807880825 /nfs/dbraw/zinc/88/08/25/807880825.db2.gz XXZOCTBDNSHTLO-LBPRGKRZSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001252471458 807880827 /nfs/dbraw/zinc/88/08/27/807880827.db2.gz XXZOCTBDNSHTLO-LBPRGKRZSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252481430 807887093 /nfs/dbraw/zinc/88/70/93/807887093.db2.gz CCYVNCUMZOGMGN-NSHDSACASA-N 1 2 257.330 0.625 20 30 CCEDLO C=C[C@](C)(O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001252542149 807904832 /nfs/dbraw/zinc/90/48/32/807904832.db2.gz ARJCRBJSJUTSSR-LBPRGKRZSA-N 1 2 252.318 0.254 20 30 CCEDLO C=C[C@](C)(O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001252542149 807904835 /nfs/dbraw/zinc/90/48/35/807904835.db2.gz ARJCRBJSJUTSSR-LBPRGKRZSA-N 1 2 252.318 0.254 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](O)C1 ZINC001083499392 815169756 /nfs/dbraw/zinc/16/97/56/815169756.db2.gz VIAFBZQOEDSCCG-OLZOCXBDSA-N 1 2 287.319 0.559 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](O)C1 ZINC001083499392 815169759 /nfs/dbraw/zinc/16/97/59/815169759.db2.gz VIAFBZQOEDSCCG-OLZOCXBDSA-N 1 2 287.319 0.559 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N[C@@H](C#N)C(=O)OCC)CC1 ZINC001254395950 808232159 /nfs/dbraw/zinc/23/21/59/808232159.db2.gz FWDUVDOIJXYXFB-LBPRGKRZSA-N 1 2 297.355 0.059 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592648 808264326 /nfs/dbraw/zinc/26/43/26/808264326.db2.gz DWXGSYYNXIRYOS-KBPBESRZSA-N 1 2 272.308 0.859 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](O)C1 ZINC001083512038 815192746 /nfs/dbraw/zinc/19/27/46/815192746.db2.gz WCQOVYXAAFQGCL-CVEARBPZSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](O)C1 ZINC001083512038 815192749 /nfs/dbraw/zinc/19/27/49/815192749.db2.gz WCQOVYXAAFQGCL-CVEARBPZSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2[nH]ccc2C)C1 ZINC001278858188 808345413 /nfs/dbraw/zinc/34/54/13/808345413.db2.gz YQPYBXSVFLULGC-UHFFFAOYSA-N 1 2 261.325 0.123 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001278864193 808354980 /nfs/dbraw/zinc/35/49/80/808354980.db2.gz TTWPIWAAMTYXSJ-CYBMUJFWSA-N 1 2 284.400 0.787 20 30 CCEDLO CC(C)c1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126898830 815202430 /nfs/dbraw/zinc/20/24/30/815202430.db2.gz BNKLKZSYWHLGTQ-UHFFFAOYSA-N 1 2 276.340 0.812 20 30 CCEDLO CCCc1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126899564 815203081 /nfs/dbraw/zinc/20/30/81/815203081.db2.gz SNXAUXQWMHUNCF-UHFFFAOYSA-N 1 2 276.340 0.641 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001278888739 808428885 /nfs/dbraw/zinc/42/88/85/808428885.db2.gz WNVLAMAALRLEAI-UHFFFAOYSA-N 1 2 267.304 0.506 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCOC ZINC001262947120 809423931 /nfs/dbraw/zinc/42/39/31/809423931.db2.gz FUNYGGGJGOKILL-VXGBXAGGSA-N 1 2 295.387 0.284 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCOC ZINC001262947120 809423934 /nfs/dbraw/zinc/42/39/34/809423934.db2.gz FUNYGGGJGOKILL-VXGBXAGGSA-N 1 2 295.387 0.284 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(C)C)[C@@H](O)C1 ZINC001263742721 809560691 /nfs/dbraw/zinc/56/06/91/809560691.db2.gz PMTBUHXHYKHIAS-MJBXVCDLSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(C)C)[C@@H](O)C1 ZINC001263742721 809560696 /nfs/dbraw/zinc/56/06/96/809560696.db2.gz PMTBUHXHYKHIAS-MJBXVCDLSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001263815224 809576468 /nfs/dbraw/zinc/57/64/68/809576468.db2.gz UDMKTWVPXBVDAJ-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001263815224 809576471 /nfs/dbraw/zinc/57/64/71/809576471.db2.gz UDMKTWVPXBVDAJ-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO N#CCN(CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001265186241 809721036 /nfs/dbraw/zinc/72/10/36/809721036.db2.gz LTWPTICHDQWHSY-UHFFFAOYSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208898 809725392 /nfs/dbraw/zinc/72/53/92/809725392.db2.gz XVWITHGPGKYVQW-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208898 809725398 /nfs/dbraw/zinc/72/53/98/809725398.db2.gz XVWITHGPGKYVQW-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO CC(C)[C@]1(C)C[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265265450 809736179 /nfs/dbraw/zinc/73/61/79/809736179.db2.gz YRTJUTWPZGRZNM-HOCLYGCPSA-N 1 2 292.427 0.926 20 30 CCEDLO CCn1cc(C[N@H+](C)CCCNC(=O)[C@H](C)C#N)nn1 ZINC001265815351 809861844 /nfs/dbraw/zinc/86/18/44/809861844.db2.gz XHCFTWUMDUBXTP-LLVKDONJSA-N 1 2 278.360 0.396 20 30 CCEDLO CCn1cc(C[N@@H+](C)CCCNC(=O)[C@H](C)C#N)nn1 ZINC001265815351 809861847 /nfs/dbraw/zinc/86/18/47/809861847.db2.gz XHCFTWUMDUBXTP-LLVKDONJSA-N 1 2 278.360 0.396 20 30 CCEDLO C=CCOCC(=O)NCC1([NH2+]Cc2nnc(C)o2)CCC1 ZINC001280471035 810024010 /nfs/dbraw/zinc/02/40/10/810024010.db2.gz LVEXZVDTKWGTAM-UHFFFAOYSA-N 1 2 294.355 0.709 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001076872483 815403163 /nfs/dbraw/zinc/40/31/63/815403163.db2.gz BGKBEOYGWYOVKC-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001076872483 815403167 /nfs/dbraw/zinc/40/31/67/815403167.db2.gz BGKBEOYGWYOVKC-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)c1csnn1 ZINC001125783711 811339702 /nfs/dbraw/zinc/33/97/02/811339702.db2.gz QTOVVMRUKBKVRF-MRVPVSSYSA-N 1 2 290.352 0.818 20 30 CCEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267476333 811358948 /nfs/dbraw/zinc/35/89/48/811358948.db2.gz ZIVLNTIJNKIJMS-CQSZACIVSA-N 1 2 293.411 0.978 20 30 CCEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267476333 811358956 /nfs/dbraw/zinc/35/89/56/811358956.db2.gz ZIVLNTIJNKIJMS-CQSZACIVSA-N 1 2 293.411 0.978 20 30 CCEDLO C[N@H+](CCCS(C)(=O)=O)C[C@@H](O)c1cccc(C#N)c1 ZINC000694209409 811390948 /nfs/dbraw/zinc/39/09/48/811390948.db2.gz GBWNJNNGIMXYRZ-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO C[N@@H+](CCCS(C)(=O)=O)C[C@@H](O)c1cccc(C#N)c1 ZINC000694209409 811390955 /nfs/dbraw/zinc/39/09/55/811390955.db2.gz GBWNJNNGIMXYRZ-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC001098595613 811460604 /nfs/dbraw/zinc/46/06/04/811460604.db2.gz TXZXAISDLGSEHE-AWEZNQCLSA-N 1 2 287.367 0.574 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001267625235 811582920 /nfs/dbraw/zinc/58/29/20/811582920.db2.gz YQRQZWMMBKILLX-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001267625235 811582927 /nfs/dbraw/zinc/58/29/27/811582927.db2.gz YQRQZWMMBKILLX-ZDUSSCGKSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001267638177 811599256 /nfs/dbraw/zinc/59/92/56/811599256.db2.gz TVVWNEVGWWDSND-STQMWFEESA-N 1 2 268.357 0.414 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001038333830 811610949 /nfs/dbraw/zinc/61/09/49/811610949.db2.gz OAVZDPQFRPVAQT-GFCCVEGCSA-N 1 2 288.351 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001038333830 811610957 /nfs/dbraw/zinc/61/09/57/811610957.db2.gz OAVZDPQFRPVAQT-GFCCVEGCSA-N 1 2 288.351 0.411 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COc2ccccc2OC)C1 ZINC001267668889 811633159 /nfs/dbraw/zinc/63/31/59/811633159.db2.gz AYBCMNJUCGKLNN-UHFFFAOYSA-N 1 2 288.347 0.898 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCNC(=O)CC(C)C)C1 ZINC001267672563 811636476 /nfs/dbraw/zinc/63/64/76/811636476.db2.gz DNEPATKWYPIMIU-UHFFFAOYSA-N 1 2 279.384 0.363 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825831 811734804 /nfs/dbraw/zinc/73/48/04/811734804.db2.gz OCKSZICEZYORNC-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038361435 811744031 /nfs/dbraw/zinc/74/40/31/811744031.db2.gz XWXSQMVMGFRLHU-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038361435 811744037 /nfs/dbraw/zinc/74/40/37/811744037.db2.gz XWXSQMVMGFRLHU-LLVKDONJSA-N 1 2 258.325 0.267 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCCC)C1 ZINC001267754698 811749773 /nfs/dbraw/zinc/74/97/73/811749773.db2.gz PGFJXLDNCPYNAL-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCCC)C1 ZINC001267754698 811749777 /nfs/dbraw/zinc/74/97/77/811749777.db2.gz PGFJXLDNCPYNAL-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001038363596 811762858 /nfs/dbraw/zinc/76/28/58/811762858.db2.gz LVWKKQZKAXPXHC-AVGNSLFASA-N 1 2 266.341 0.004 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001038363596 811762862 /nfs/dbraw/zinc/76/28/62/811762862.db2.gz LVWKKQZKAXPXHC-AVGNSLFASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001077304401 815476906 /nfs/dbraw/zinc/47/69/06/815476906.db2.gz GFCJLNLKKMQZPE-ZIAGYGMSSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001077304401 815476911 /nfs/dbraw/zinc/47/69/11/815476911.db2.gz GFCJLNLKKMQZPE-ZIAGYGMSSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC3)C2)nn1 ZINC001105132891 811853244 /nfs/dbraw/zinc/85/32/44/811853244.db2.gz FCQPGPWIVCRPRJ-UHFFFAOYSA-N 1 2 273.340 0.184 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001038692418 811965364 /nfs/dbraw/zinc/96/53/64/811965364.db2.gz NVPLBYLQUSYXEU-ZDUSSCGKSA-N 1 2 289.383 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001038692418 811965368 /nfs/dbraw/zinc/96/53/68/811965368.db2.gz NVPLBYLQUSYXEU-ZDUSSCGKSA-N 1 2 289.383 0.762 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001268019804 811965414 /nfs/dbraw/zinc/96/54/14/811965414.db2.gz RVBPIPFBFFWJGV-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001268019804 811965419 /nfs/dbraw/zinc/96/54/19/811965419.db2.gz RVBPIPFBFFWJGV-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001268020719 811967592 /nfs/dbraw/zinc/96/75/92/811967592.db2.gz JSHBQLUHRHLXAU-HIFRSBDPSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001268020719 811967596 /nfs/dbraw/zinc/96/75/96/811967596.db2.gz JSHBQLUHRHLXAU-HIFRSBDPSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001075560358 811968187 /nfs/dbraw/zinc/96/81/87/811968187.db2.gz PVMMQHIOTBRJPK-SMDDNHRTSA-N 1 2 272.352 0.752 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001075560358 811968188 /nfs/dbraw/zinc/96/81/88/811968188.db2.gz PVMMQHIOTBRJPK-SMDDNHRTSA-N 1 2 272.352 0.752 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001077376954 815489398 /nfs/dbraw/zinc/48/93/98/815489398.db2.gz KTKSKBRXJKHUQV-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001077376954 815489400 /nfs/dbraw/zinc/48/94/00/815489400.db2.gz KTKSKBRXJKHUQV-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027973226 812181437 /nfs/dbraw/zinc/18/14/37/812181437.db2.gz MOKVKRUVXDYINK-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001038834737 812187712 /nfs/dbraw/zinc/18/77/12/812187712.db2.gz GLVDMUSVQDMTGC-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001038834737 812187717 /nfs/dbraw/zinc/18/77/17/812187717.db2.gz GLVDMUSVQDMTGC-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027978670 812190388 /nfs/dbraw/zinc/19/03/88/812190388.db2.gz CAQORPGRYFKJDY-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027995506 812204603 /nfs/dbraw/zinc/20/46/03/812204603.db2.gz QENGUOITELMSSH-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027995506 812204611 /nfs/dbraw/zinc/20/46/11/812204611.db2.gz QENGUOITELMSSH-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007934 812211444 /nfs/dbraw/zinc/21/14/44/812211444.db2.gz SFMXJQBVMCTQGV-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007934 812211450 /nfs/dbraw/zinc/21/14/50/812211450.db2.gz SFMXJQBVMCTQGV-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001028120878 812293081 /nfs/dbraw/zinc/29/30/81/812293081.db2.gz YQYPZYRUWHPAES-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001028120878 812293082 /nfs/dbraw/zinc/29/30/82/812293082.db2.gz YQYPZYRUWHPAES-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825995 812298932 /nfs/dbraw/zinc/29/89/32/812298932.db2.gz XREMHCBOLYPOCO-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825995 812298940 /nfs/dbraw/zinc/29/89/40/812298940.db2.gz XREMHCBOLYPOCO-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](F)CC ZINC001268245386 812410214 /nfs/dbraw/zinc/41/02/14/812410214.db2.gz OHTSZWHQKMYYEV-NSHDSACASA-N 1 2 273.352 0.427 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](F)CC ZINC001268245386 812410219 /nfs/dbraw/zinc/41/02/19/812410219.db2.gz OHTSZWHQKMYYEV-NSHDSACASA-N 1 2 273.352 0.427 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001126338732 812449587 /nfs/dbraw/zinc/44/95/87/812449587.db2.gz HLOJISHLMNTDFD-LLVKDONJSA-N 1 2 294.355 0.786 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001126359914 812629386 /nfs/dbraw/zinc/62/93/86/812629386.db2.gz HDNFIBQSOMEXBJ-AWEZNQCLSA-N 1 2 296.371 0.726 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126361124 812634244 /nfs/dbraw/zinc/63/42/44/812634244.db2.gz XUVRTWSNKUDWCT-AWEZNQCLSA-N 1 2 294.355 0.480 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 ZINC001268491459 812680891 /nfs/dbraw/zinc/68/08/91/812680891.db2.gz INJHKZKOGRZPKU-OCCSQVGLSA-N 1 2 282.384 0.947 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001211759262 812701859 /nfs/dbraw/zinc/70/18/59/812701859.db2.gz IHQFBFDYEQFADJ-VXGBXAGGSA-N 1 2 286.347 0.200 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001211759262 812701864 /nfs/dbraw/zinc/70/18/64/812701864.db2.gz IHQFBFDYEQFADJ-VXGBXAGGSA-N 1 2 286.347 0.200 20 30 CCEDLO C#CCCCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105703450 815559072 /nfs/dbraw/zinc/55/90/72/815559072.db2.gz AQDROHICEVSEOQ-UHFFFAOYSA-N 1 2 294.395 0.474 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2=COCCC2)C1 ZINC001268703383 813020819 /nfs/dbraw/zinc/02/08/19/813020819.db2.gz LPXUXOOHDSRJMY-UHFFFAOYSA-N 1 2 293.367 0.031 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001127045470 815599560 /nfs/dbraw/zinc/59/95/60/815599560.db2.gz BNXDYYBQEVLLKG-VXGBXAGGSA-N 1 2 279.340 0.788 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001269147357 813238077 /nfs/dbraw/zinc/23/80/77/813238077.db2.gz RXWWXGMSVXPAEX-LALPHHSUSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001269147357 813238082 /nfs/dbraw/zinc/23/80/82/813238082.db2.gz RXWWXGMSVXPAEX-LALPHHSUSA-N 1 2 290.367 0.007 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269207953 813266967 /nfs/dbraw/zinc/26/69/67/813266967.db2.gz BLCVCDGYNYTIEG-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269207953 813266972 /nfs/dbraw/zinc/26/69/72/813266972.db2.gz BLCVCDGYNYTIEG-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001269229922 813279309 /nfs/dbraw/zinc/27/93/09/813279309.db2.gz SHJRBQKHRVHOIC-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001269229922 813279312 /nfs/dbraw/zinc/27/93/12/813279312.db2.gz SHJRBQKHRVHOIC-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001038403389 813344744 /nfs/dbraw/zinc/34/47/44/813344744.db2.gz IBYIXAIHCGQPOO-ZIAGYGMSSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001038403389 813344754 /nfs/dbraw/zinc/34/47/54/813344754.db2.gz IBYIXAIHCGQPOO-ZIAGYGMSSA-N 1 2 286.379 0.578 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797542 813521276 /nfs/dbraw/zinc/52/12/76/813521276.db2.gz OWNYSEGPWJNDBC-RYUDHWBXSA-N 1 2 287.367 0.791 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001270638177 813863403 /nfs/dbraw/zinc/86/34/03/813863403.db2.gz JVHOSGZLPJOCMY-ZBFHGGJFSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001270638177 813863413 /nfs/dbraw/zinc/86/34/13/813863413.db2.gz JVHOSGZLPJOCMY-ZBFHGGJFSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001270638175 813863597 /nfs/dbraw/zinc/86/35/97/813863597.db2.gz JVHOSGZLPJOCMY-GOEBONIOSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001270638175 813863609 /nfs/dbraw/zinc/86/36/09/813863609.db2.gz JVHOSGZLPJOCMY-GOEBONIOSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691947 813895029 /nfs/dbraw/zinc/89/50/29/813895029.db2.gz NKHRFYRFBAKCLT-VXGBXAGGSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691947 813895040 /nfs/dbraw/zinc/89/50/40/813895040.db2.gz NKHRFYRFBAKCLT-VXGBXAGGSA-N 1 2 293.371 0.590 20 30 CCEDLO N#CC1(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)CCC1 ZINC001271112420 814157188 /nfs/dbraw/zinc/15/71/88/814157188.db2.gz OODVYKAEJZOCPQ-UHFFFAOYSA-N 1 2 285.351 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1CC ZINC001087713255 814195156 /nfs/dbraw/zinc/19/51/56/814195156.db2.gz BNWOEJRAFOTNJP-CMPLNLGQSA-N 1 2 276.340 0.342 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1CC ZINC001087713255 814195159 /nfs/dbraw/zinc/19/51/59/814195159.db2.gz BNWOEJRAFOTNJP-CMPLNLGQSA-N 1 2 276.340 0.342 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038448647 814224094 /nfs/dbraw/zinc/22/40/94/814224094.db2.gz JSGDNEBJWTYZRW-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038448647 814224104 /nfs/dbraw/zinc/22/41/04/814224104.db2.gz JSGDNEBJWTYZRW-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2scnc2C)C1 ZINC001271244681 814348252 /nfs/dbraw/zinc/34/82/52/814348252.db2.gz OIKJQDREDYULCJ-UHFFFAOYSA-N 1 2 279.365 0.251 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)COC)C1 ZINC001271262523 814355171 /nfs/dbraw/zinc/35/51/71/814355171.db2.gz KRAWSYCXNZODIL-NSHDSACASA-N 1 2 256.346 0.008 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029677011 814535269 /nfs/dbraw/zinc/53/52/69/814535269.db2.gz HTNXFXWTCFYCRG-NEPJUHHUSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029677011 814535274 /nfs/dbraw/zinc/53/52/74/814535274.db2.gz HTNXFXWTCFYCRG-NEPJUHHUSA-N 1 2 290.371 0.255 20 30 CCEDLO C=C(C)C(=O)OCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001168071197 814541936 /nfs/dbraw/zinc/54/19/36/814541936.db2.gz RNOQDKFDVPMUAX-UHFFFAOYSA-N 1 2 276.340 0.996 20 30 CCEDLO C=C(C)C(=O)OCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001168071197 814541939 /nfs/dbraw/zinc/54/19/39/814541939.db2.gz RNOQDKFDVPMUAX-UHFFFAOYSA-N 1 2 276.340 0.996 20 30 CCEDLO Cn1c[nH+]c([C@@H]2CN(C(=O)CCCC#N)C[C@H]2C(N)=O)c1 ZINC001271769754 814570549 /nfs/dbraw/zinc/57/05/49/814570549.db2.gz XORCHJIDTZRRRQ-GHMZBOCLSA-N 1 2 289.339 0.141 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC001088548211 814868619 /nfs/dbraw/zinc/86/86/19/814868619.db2.gz IYHRBOLZJSZKGF-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC001088548211 814868624 /nfs/dbraw/zinc/86/86/24/814868624.db2.gz IYHRBOLZJSZKGF-ZJUUUORDSA-N 1 2 283.763 0.760 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001030147036 815834115 /nfs/dbraw/zinc/83/41/15/815834115.db2.gz AIFWMYXJYACELK-QWRGUYRKSA-N 1 2 252.314 0.172 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](CCOC3CCC3)C2)c1 ZINC001030193635 815878969 /nfs/dbraw/zinc/87/89/69/815878969.db2.gz AKCNIKDHLYLOTD-UHFFFAOYSA-N 1 2 288.351 0.869 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030332938 815979753 /nfs/dbraw/zinc/97/97/53/815979753.db2.gz UZBNOJBMFMUKQU-YUTCNCBUSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001030388837 816008550 /nfs/dbraw/zinc/00/85/50/816008550.db2.gz ZZSDKYVRTJGHEO-LBPRGKRZSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001030538828 816096746 /nfs/dbraw/zinc/09/67/46/816096746.db2.gz UOCAVTFUZPSAEM-UHFFFAOYSA-N 1 2 271.320 0.223 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001030552531 816102553 /nfs/dbraw/zinc/10/25/53/816102553.db2.gz LTLSBLCIWGNTOU-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001030560870 816109444 /nfs/dbraw/zinc/10/94/44/816109444.db2.gz PGUPTSVCMKLRBL-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001030597876 816136514 /nfs/dbraw/zinc/13/65/14/816136514.db2.gz DARHDCXDLUJHHG-UHFFFAOYSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001030659707 816191126 /nfs/dbraw/zinc/19/11/26/816191126.db2.gz ICQOSHALAVACIA-UHFFFAOYSA-N 1 2 274.324 0.103 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001030666150 816195758 /nfs/dbraw/zinc/19/57/58/816195758.db2.gz BGPIJMCPCIPUQC-HIFRSBDPSA-N 1 2 262.353 0.769 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C)nn2C)C1 ZINC001030671670 816201994 /nfs/dbraw/zinc/20/19/94/816201994.db2.gz SXJMXJHPPMTFHU-UHFFFAOYSA-N 1 2 262.357 0.648 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001030696431 816231330 /nfs/dbraw/zinc/23/13/30/816231330.db2.gz UIXJJTGJGVXUAS-LBPRGKRZSA-N 1 2 289.383 0.607 20 30 CCEDLO Cc1cc(C)c(C(=O)NC2CN(CC#N)C2)c(C)[nH+]1 ZINC001030708467 816240910 /nfs/dbraw/zinc/24/09/10/816240910.db2.gz BROUFIUWOXRIOL-UHFFFAOYSA-N 1 2 258.325 0.944 20 30 CCEDLO C/C(=C\C(=O)NC[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000826671201 816267558 /nfs/dbraw/zinc/26/75/58/816267558.db2.gz HXCICGUXOCBAHW-YTRUQHMWSA-N 1 2 251.330 0.541 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn(C)c2C)C1 ZINC001030762074 816273670 /nfs/dbraw/zinc/27/36/70/816273670.db2.gz HFTGIYRUTGHANX-UHFFFAOYSA-N 1 2 260.341 0.474 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001030832353 816326591 /nfs/dbraw/zinc/32/65/91/816326591.db2.gz CNYULJIYOXEMDB-CYBMUJFWSA-N 1 2 288.351 0.699 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001233761320 816404349 /nfs/dbraw/zinc/40/43/49/816404349.db2.gz IMPZMWNBOFGVNL-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001233761320 816404351 /nfs/dbraw/zinc/40/43/51/816404351.db2.gz IMPZMWNBOFGVNL-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](CCCC(=O)OC)C2 ZINC001272498336 816511628 /nfs/dbraw/zinc/51/16/28/816511628.db2.gz LNASHYCDVNPDOI-UHFFFAOYSA-N 1 2 282.340 0.039 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nccn3ccnc23)C1 ZINC001030975442 816522150 /nfs/dbraw/zinc/52/21/50/816522150.db2.gz YNLBBDLXGADOED-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001038570429 816537648 /nfs/dbraw/zinc/53/76/48/816537648.db2.gz IXUSSEANUHNOQH-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001038570429 816537650 /nfs/dbraw/zinc/53/76/50/816537650.db2.gz IXUSSEANUHNOQH-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001031037639 816593570 /nfs/dbraw/zinc/59/35/70/816593570.db2.gz HPFHWNMGKVBXSX-OAHLLOKOSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001083739142 816905216 /nfs/dbraw/zinc/90/52/16/816905216.db2.gz RFHDGWBTSGSYDP-MNOVXSKESA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001083739142 816905219 /nfs/dbraw/zinc/90/52/19/816905219.db2.gz RFHDGWBTSGSYDP-MNOVXSKESA-N 1 2 298.264 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC001031277036 816922630 /nfs/dbraw/zinc/92/26/30/816922630.db2.gz AKAVLUVNLXTWQE-UHFFFAOYSA-N 1 2 297.358 0.466 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001031486014 817078647 /nfs/dbraw/zinc/07/86/47/817078647.db2.gz PRRPDFMYKLSOEE-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001031672154 817236108 /nfs/dbraw/zinc/23/61/08/817236108.db2.gz WSSXMDOPZNKYDQ-CYBMUJFWSA-N 1 2 286.379 0.901 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001077561860 817292337 /nfs/dbraw/zinc/29/23/37/817292337.db2.gz GMEQKVNVEULNSU-ZYHUDNBSSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001077561860 817292345 /nfs/dbraw/zinc/29/23/45/817292345.db2.gz GMEQKVNVEULNSU-ZYHUDNBSSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001031931939 817473929 /nfs/dbraw/zinc/47/39/29/817473929.db2.gz ZNRLOXKNBUTMLT-LBPRGKRZSA-N 1 2 287.367 0.296 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001031952044 817488224 /nfs/dbraw/zinc/48/82/24/817488224.db2.gz WJBRMJQPACCJKH-AWEZNQCLSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001124767518 817568193 /nfs/dbraw/zinc/56/81/93/817568193.db2.gz IHONJSARAHIPNE-SECBINFHSA-N 1 2 270.358 0.508 20 30 CCEDLO C=CCCn1cc(C(=O)NCC2C[NH+](CCF)C2)nn1 ZINC001032041079 817574965 /nfs/dbraw/zinc/57/49/65/817574965.db2.gz DHDFLGBLQMVCGE-UHFFFAOYSA-N 1 2 281.335 0.485 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001038075324 817580758 /nfs/dbraw/zinc/58/07/58/817580758.db2.gz VBTAVFLTRGGMHB-LBPRGKRZSA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001038075324 817580769 /nfs/dbraw/zinc/58/07/69/817580769.db2.gz VBTAVFLTRGGMHB-LBPRGKRZSA-N 1 2 260.341 0.800 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107129383 817782897 /nfs/dbraw/zinc/78/28/97/817782897.db2.gz VGXRUOZXNGGTOG-LLVKDONJSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)SC)nn2)C1 ZINC001107134554 817787560 /nfs/dbraw/zinc/78/75/60/817787560.db2.gz ASMDKPSSHVUEAA-SNVBAGLBSA-N 1 2 295.412 0.689 20 30 CCEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107163931 817799238 /nfs/dbraw/zinc/79/92/38/817799238.db2.gz IHFLFIVBELIQPM-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C ZINC001032320077 817858361 /nfs/dbraw/zinc/85/83/61/817858361.db2.gz VFVZOEVATYAYDQ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C ZINC001032320077 817858373 /nfs/dbraw/zinc/85/83/73/817858373.db2.gz VFVZOEVATYAYDQ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719159 817964961 /nfs/dbraw/zinc/96/49/61/817964961.db2.gz XVRYDJAZZGKCFW-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719159 817964964 /nfs/dbraw/zinc/96/49/64/817964964.db2.gz XVRYDJAZZGKCFW-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107794845 818013901 /nfs/dbraw/zinc/01/39/01/818013901.db2.gz GQGYBLMHXGUYNC-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107794845 818013908 /nfs/dbraw/zinc/01/39/08/818013908.db2.gz GQGYBLMHXGUYNC-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCOCC1 ZINC001032822508 818068889 /nfs/dbraw/zinc/06/88/89/818068889.db2.gz PAFLGIDCPPFAJN-SNPRPXQTSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCOCC1 ZINC001032822508 818068899 /nfs/dbraw/zinc/06/88/99/818068899.db2.gz PAFLGIDCPPFAJN-SNPRPXQTSA-N 1 2 276.380 0.967 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001050840827 818173066 /nfs/dbraw/zinc/17/30/66/818173066.db2.gz RTBQCXHCPHRGKP-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001050840827 818173069 /nfs/dbraw/zinc/17/30/69/818173069.db2.gz RTBQCXHCPHRGKP-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001044155413 818269608 /nfs/dbraw/zinc/26/96/08/818269608.db2.gz ULCNKYGRCWFETD-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032963720 818391388 /nfs/dbraw/zinc/39/13/88/818391388.db2.gz CQLYPDBWBQKKLT-JTQLQIEISA-N 1 2 295.774 0.958 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccnc2N)C1 ZINC001032963720 818391394 /nfs/dbraw/zinc/39/13/94/818391394.db2.gz CQLYPDBWBQKKLT-JTQLQIEISA-N 1 2 295.774 0.958 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099652197 818428554 /nfs/dbraw/zinc/42/85/54/818428554.db2.gz YHASQXORDWGRQL-NXEZZACHSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099652197 818428556 /nfs/dbraw/zinc/42/85/56/818428556.db2.gz YHASQXORDWGRQL-NXEZZACHSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nonc1C)OCC ZINC001128527657 818607505 /nfs/dbraw/zinc/60/75/05/818607505.db2.gz BMSMWGIJTJWWHA-CYBMUJFWSA-N 1 2 296.371 0.955 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCN(CC#N)C1 ZINC001033212760 818654740 /nfs/dbraw/zinc/65/47/40/818654740.db2.gz WLLLZJJNHSJFRD-OCCSQVGLSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](O)C1 ZINC001083850226 818666567 /nfs/dbraw/zinc/66/65/67/818666567.db2.gz RVJCJPQDUMESDN-DGAVXFQQSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](O)C1 ZINC001083850226 818666568 /nfs/dbraw/zinc/66/65/68/818666568.db2.gz RVJCJPQDUMESDN-DGAVXFQQSA-N 1 2 262.353 0.217 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001033248865 818675883 /nfs/dbraw/zinc/67/58/83/818675883.db2.gz PATKSYRAZWHRLY-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001033248865 818675891 /nfs/dbraw/zinc/67/58/91/818675891.db2.gz PATKSYRAZWHRLY-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021701 819036696 /nfs/dbraw/zinc/03/66/96/819036696.db2.gz STABAPBBLKNRKK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021701 819036703 /nfs/dbraw/zinc/03/67/03/819036703.db2.gz STABAPBBLKNRKK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108129282 819224253 /nfs/dbraw/zinc/22/42/53/819224253.db2.gz VKRKRFJOURVKCC-NFAWXSAZSA-N 1 2 264.369 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108129282 819224259 /nfs/dbraw/zinc/22/42/59/819224259.db2.gz VKRKRFJOURVKCC-NFAWXSAZSA-N 1 2 264.369 0.873 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035260839 819426504 /nfs/dbraw/zinc/42/65/04/819426504.db2.gz OXBQGNCKEAMAIH-GFCCVEGCSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035260839 819426509 /nfs/dbraw/zinc/42/65/09/819426509.db2.gz OXBQGNCKEAMAIH-GFCCVEGCSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035291932 819438771 /nfs/dbraw/zinc/43/87/71/819438771.db2.gz ZKAYSCWWOWEHEH-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035291932 819438775 /nfs/dbraw/zinc/43/87/75/819438775.db2.gz ZKAYSCWWOWEHEH-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035295190 819440119 /nfs/dbraw/zinc/44/01/19/819440119.db2.gz SBOFGUIOVWDRBV-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035295190 819440125 /nfs/dbraw/zinc/44/01/25/819440125.db2.gz SBOFGUIOVWDRBV-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035306032 819457141 /nfs/dbraw/zinc/45/71/41/819457141.db2.gz OJOYKNAZXPZSQM-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035306032 819457144 /nfs/dbraw/zinc/45/71/44/819457144.db2.gz OJOYKNAZXPZSQM-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308039 819459209 /nfs/dbraw/zinc/45/92/09/819459209.db2.gz TUOQWKOHRQVKHA-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308039 819459214 /nfs/dbraw/zinc/45/92/14/819459214.db2.gz TUOQWKOHRQVKHA-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C/C=C(\C)C=C)[C@@H](n2ccnn2)C1 ZINC001129165540 819468396 /nfs/dbraw/zinc/46/83/96/819468396.db2.gz YXRUCKZKLIXADG-UOTLJSKWSA-N 1 2 299.378 0.775 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C/C=C(\C)C=C)[C@@H](n2ccnn2)C1 ZINC001129165540 819468400 /nfs/dbraw/zinc/46/84/00/819468400.db2.gz YXRUCKZKLIXADG-UOTLJSKWSA-N 1 2 299.378 0.775 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035322696 819470199 /nfs/dbraw/zinc/47/01/99/819470199.db2.gz FQBBMKJQCWGVQL-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035322696 819470205 /nfs/dbraw/zinc/47/02/05/819470205.db2.gz FQBBMKJQCWGVQL-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379588 819510135 /nfs/dbraw/zinc/51/01/35/819510135.db2.gz RKNGZINLXDJLTN-GUTXKFCHSA-N 1 2 280.368 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379588 819510138 /nfs/dbraw/zinc/51/01/38/819510138.db2.gz RKNGZINLXDJLTN-GUTXKFCHSA-N 1 2 280.368 0.416 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035406809 819513586 /nfs/dbraw/zinc/51/35/86/819513586.db2.gz DWJHGWDCAIXHOX-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035406809 819513590 /nfs/dbraw/zinc/51/35/90/819513590.db2.gz DWJHGWDCAIXHOX-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035494835 819549654 /nfs/dbraw/zinc/54/96/54/819549654.db2.gz FEOUXXYOBVGFFS-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035494835 819549657 /nfs/dbraw/zinc/54/96/57/819549657.db2.gz FEOUXXYOBVGFFS-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622797 819581651 /nfs/dbraw/zinc/58/16/51/819581651.db2.gz XXOBNISDAFNKJM-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622797 819581653 /nfs/dbraw/zinc/58/16/53/819581653.db2.gz XXOBNISDAFNKJM-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001036314926 819724351 /nfs/dbraw/zinc/72/43/51/819724351.db2.gz PCLYSGIKIMIKOI-RYUDHWBXSA-N 1 2 261.329 0.233 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108185833 820097996 /nfs/dbraw/zinc/09/79/96/820097996.db2.gz GADYPFBIMPQCJN-ZBFHGGJFSA-N 1 2 296.411 0.888 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108185833 820098005 /nfs/dbraw/zinc/09/80/05/820098005.db2.gz GADYPFBIMPQCJN-ZBFHGGJFSA-N 1 2 296.411 0.888 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712269883 820250927 /nfs/dbraw/zinc/25/09/27/820250927.db2.gz FKSBHCCYVIOACU-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000712269883 820250933 /nfs/dbraw/zinc/25/09/33/820250933.db2.gz FKSBHCCYVIOACU-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H](O)C1 ZINC001083925197 820282359 /nfs/dbraw/zinc/28/23/59/820282359.db2.gz SXNNYBFNUMFYPL-NEPJUHHUSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H](O)C1 ZINC001083925197 820282367 /nfs/dbraw/zinc/28/23/67/820282367.db2.gz SXNNYBFNUMFYPL-NEPJUHHUSA-N 1 2 291.351 0.596 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001079493342 820412169 /nfs/dbraw/zinc/41/21/69/820412169.db2.gz KLPTYUBASZKPTG-FBIMIBRVSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001079493342 820412177 /nfs/dbraw/zinc/41/21/77/820412177.db2.gz KLPTYUBASZKPTG-FBIMIBRVSA-N 1 2 285.775 0.454 20 30 CCEDLO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079967619 820496048 /nfs/dbraw/zinc/49/60/48/820496048.db2.gz QBBWFNUFCMBJEF-MCIONIFRSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079967619 820496055 /nfs/dbraw/zinc/49/60/55/820496055.db2.gz QBBWFNUFCMBJEF-MCIONIFRSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001079967619 820496061 /nfs/dbraw/zinc/49/60/61/820496061.db2.gz QBBWFNUFCMBJEF-MCIONIFRSA-N 1 2 263.385 0.540 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001079967619 820496067 /nfs/dbraw/zinc/49/60/67/820496067.db2.gz QBBWFNUFCMBJEF-MCIONIFRSA-N 1 2 263.385 0.540 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080459141 820578089 /nfs/dbraw/zinc/57/80/89/820578089.db2.gz PEMRYVQVIOJOBN-CZULRBLNSA-N 1 2 285.775 0.297 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080459141 820578094 /nfs/dbraw/zinc/57/80/94/820578094.db2.gz PEMRYVQVIOJOBN-CZULRBLNSA-N 1 2 285.775 0.297 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001080628413 820601335 /nfs/dbraw/zinc/60/13/35/820601335.db2.gz MUBIUMYVDTWMTG-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001081277952 820717791 /nfs/dbraw/zinc/71/77/91/820717791.db2.gz VYTSKWAKVWYKFG-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001081277952 820717797 /nfs/dbraw/zinc/71/77/97/820717797.db2.gz VYTSKWAKVWYKFG-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(C)=O ZINC001081236210 820721498 /nfs/dbraw/zinc/72/14/98/820721498.db2.gz XYIIAUASHBWLFE-CHWSQXEVSA-N 1 2 279.365 0.955 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(C)=O ZINC001081236210 820721502 /nfs/dbraw/zinc/72/15/02/820721502.db2.gz XYIIAUASHBWLFE-CHWSQXEVSA-N 1 2 279.365 0.955 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001081585343 820791797 /nfs/dbraw/zinc/79/17/97/820791797.db2.gz MDWPJZKQPYJFQX-DGCLKSJQSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001081585343 820791800 /nfs/dbraw/zinc/79/18/00/820791800.db2.gz MDWPJZKQPYJFQX-DGCLKSJQSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081576279 820792900 /nfs/dbraw/zinc/79/29/00/820792900.db2.gz UZFQCVMDDVFXIO-DGCLKSJQSA-N 1 2 289.335 0.240 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 ZINC001081576279 820792906 /nfs/dbraw/zinc/79/29/06/820792906.db2.gz UZFQCVMDDVFXIO-DGCLKSJQSA-N 1 2 289.335 0.240 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1NCC#N ZINC001082751383 821030630 /nfs/dbraw/zinc/03/06/30/821030630.db2.gz YVUXLRWMIGYAOY-FDYHWXHSSA-N 1 2 287.367 0.484 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccs3)[C@H]2C1 ZINC001082981267 821086445 /nfs/dbraw/zinc/08/64/45/821086445.db2.gz PSPHDNUCGCTMEM-UONOGXRCSA-N 1 2 290.388 0.835 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccs3)[C@H]2C1 ZINC001082981267 821086453 /nfs/dbraw/zinc/08/64/53/821086453.db2.gz PSPHDNUCGCTMEM-UONOGXRCSA-N 1 2 290.388 0.835 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)n3)[C@H]2C1 ZINC001083004720 821101575 /nfs/dbraw/zinc/10/15/75/821101575.db2.gz OSBGDCMEFGTUEP-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)n3)[C@H]2C1 ZINC001083004720 821101581 /nfs/dbraw/zinc/10/15/81/821101581.db2.gz OSBGDCMEFGTUEP-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083007726 821104689 /nfs/dbraw/zinc/10/46/89/821104689.db2.gz JLIOZSGKJDADJB-SDDRHHMPSA-N 1 2 268.382 0.283 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083007726 821104692 /nfs/dbraw/zinc/10/46/92/821104692.db2.gz JLIOZSGKJDADJB-SDDRHHMPSA-N 1 2 268.382 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(C)on3)[C@H]2C1 ZINC001083027710 821115818 /nfs/dbraw/zinc/11/58/18/821115818.db2.gz COSTYAKYOYBDCH-UONOGXRCSA-N 1 2 289.335 0.070 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cc(C)on3)[C@H]2C1 ZINC001083027710 821115822 /nfs/dbraw/zinc/11/58/22/821115822.db2.gz COSTYAKYOYBDCH-UONOGXRCSA-N 1 2 289.335 0.070 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncc3C)[C@H]2C1 ZINC001083075754 821120365 /nfs/dbraw/zinc/12/03/65/821120365.db2.gz KGAUKUQKQGWVDY-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncc3C)[C@H]2C1 ZINC001083075754 821120374 /nfs/dbraw/zinc/12/03/74/821120374.db2.gz KGAUKUQKQGWVDY-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnoc3)[C@H]2C1 ZINC001083172173 821155927 /nfs/dbraw/zinc/15/59/27/821155927.db2.gz MZJWUWZYGUUWSA-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cnoc3)[C@H]2C1 ZINC001083172173 821155935 /nfs/dbraw/zinc/15/59/35/821155935.db2.gz MZJWUWZYGUUWSA-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](O)C1 ZINC001084020335 821178170 /nfs/dbraw/zinc/17/81/70/821178170.db2.gz FXLQMUDHTDWJQH-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](O)C1 ZINC001084020335 821178174 /nfs/dbraw/zinc/17/81/74/821178174.db2.gz FXLQMUDHTDWJQH-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318271 821270022 /nfs/dbraw/zinc/27/00/22/821270022.db2.gz RDBQCHRSLUTPTA-GMTAPVOTSA-N 1 2 299.758 0.380 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084318271 821270028 /nfs/dbraw/zinc/27/00/28/821270028.db2.gz RDBQCHRSLUTPTA-GMTAPVOTSA-N 1 2 299.758 0.380 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084423013 821282225 /nfs/dbraw/zinc/28/22/25/821282225.db2.gz UUKSIJGOJZUBHB-HKUMRIAESA-N 1 2 285.351 0.569 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084423013 821282233 /nfs/dbraw/zinc/28/22/33/821282233.db2.gz UUKSIJGOJZUBHB-HKUMRIAESA-N 1 2 285.351 0.569 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC001119626779 821401297 /nfs/dbraw/zinc/40/12/97/821401297.db2.gz FOADWIAJVDXLHC-ZJUUUORDSA-N 1 2 260.297 0.694 20 30 CCEDLO CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001065681901 821578788 /nfs/dbraw/zinc/57/87/88/821578788.db2.gz ZBFZVNQFGIYWLM-HNNXBMFYSA-N 1 2 291.395 0.411 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001085529114 821768952 /nfs/dbraw/zinc/76/89/52/821768952.db2.gz PJKYXQFKJOYYHX-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001085529114 821768953 /nfs/dbraw/zinc/76/89/53/821768953.db2.gz PJKYXQFKJOYYHX-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713136 821915717 /nfs/dbraw/zinc/91/57/17/821915717.db2.gz CEEOZCAJMYGSRI-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713136 821915722 /nfs/dbraw/zinc/91/57/22/821915722.db2.gz CEEOZCAJMYGSRI-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001085746900 821928333 /nfs/dbraw/zinc/92/83/33/821928333.db2.gz SILRFXORKGGSLG-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001085746900 821928342 /nfs/dbraw/zinc/92/83/42/821928342.db2.gz SILRFXORKGGSLG-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)n[nH]c1C ZINC001085876942 821992298 /nfs/dbraw/zinc/99/22/98/821992298.db2.gz OTGSHFMZDRYEMK-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)n[nH]c1C ZINC001085876942 821992301 /nfs/dbraw/zinc/99/23/01/821992301.db2.gz OTGSHFMZDRYEMK-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)nn1C ZINC001085892871 822002110 /nfs/dbraw/zinc/00/21/10/822002110.db2.gz LGOASKIGMBDPFA-ZDUSSCGKSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)nn1C ZINC001085892871 822002113 /nfs/dbraw/zinc/00/21/13/822002113.db2.gz LGOASKIGMBDPFA-ZDUSSCGKSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001086187758 822147061 /nfs/dbraw/zinc/14/70/61/822147061.db2.gz OISJLPSQBMSNLI-DTORHVGOSA-N 1 2 250.277 0.280 20 30 CCEDLO C=C(C)CNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001155661678 822222083 /nfs/dbraw/zinc/22/20/83/822222083.db2.gz BYRWDQTXASZIJB-SNVBAGLBSA-N 1 2 261.329 0.919 20 30 CCEDLO C=C(C)CNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001155661678 822222087 /nfs/dbraw/zinc/22/20/87/822222087.db2.gz BYRWDQTXASZIJB-SNVBAGLBSA-N 1 2 261.329 0.919 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108286717 822301834 /nfs/dbraw/zinc/30/18/34/822301834.db2.gz AQJLAIOUWKGERR-CQSZACIVSA-N 1 2 293.371 0.592 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108286717 822301843 /nfs/dbraw/zinc/30/18/43/822301843.db2.gz AQJLAIOUWKGERR-CQSZACIVSA-N 1 2 293.371 0.592 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114005554 837401583 /nfs/dbraw/zinc/40/15/83/837401583.db2.gz SIMHWIANPMZVJS-JYAVWHMHSA-N 1 2 272.352 0.989 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114005554 837401588 /nfs/dbraw/zinc/40/15/88/837401588.db2.gz SIMHWIANPMZVJS-JYAVWHMHSA-N 1 2 272.352 0.989 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114050731 837417157 /nfs/dbraw/zinc/41/71/57/837417157.db2.gz ICMXILVNYPESIJ-YABSGUDNSA-N 1 2 293.392 0.892 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114050731 837417160 /nfs/dbraw/zinc/41/71/60/837417160.db2.gz ICMXILVNYPESIJ-YABSGUDNSA-N 1 2 293.392 0.892 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114198511 837473332 /nfs/dbraw/zinc/47/33/32/837473332.db2.gz CYNLXFRQNMGCPC-IMRBUKKESA-N 1 2 274.324 0.420 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114198511 837473337 /nfs/dbraw/zinc/47/33/37/837473337.db2.gz CYNLXFRQNMGCPC-IMRBUKKESA-N 1 2 274.324 0.420 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2CC)C1 ZINC001108371612 835991440 /nfs/dbraw/zinc/99/14/40/835991440.db2.gz ZENIKSRODWKFJH-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2CC)C1 ZINC001108371612 835991447 /nfs/dbraw/zinc/99/14/47/835991447.db2.gz ZENIKSRODWKFJH-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nonc2C)C1 ZINC001108439522 836110160 /nfs/dbraw/zinc/11/01/60/836110160.db2.gz MMRBXXOHPKFJRQ-CYBMUJFWSA-N 1 2 280.328 0.385 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nonc2C)C1 ZINC001108439522 836110165 /nfs/dbraw/zinc/11/01/65/836110165.db2.gz MMRBXXOHPKFJRQ-CYBMUJFWSA-N 1 2 280.328 0.385 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)nc(C)c2C#N)C[NH2+]1 ZINC001156248884 836118297 /nfs/dbraw/zinc/11/82/97/836118297.db2.gz NGGMTDUTOOOQTR-CBAPKCEASA-N 1 2 295.730 0.047 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)ncn1 ZINC001156320584 836281805 /nfs/dbraw/zinc/28/18/05/836281805.db2.gz AILWDMOEEWHDBF-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCOC)CC2=O)C1 ZINC001108496595 836320631 /nfs/dbraw/zinc/32/06/31/836320631.db2.gz NTFUXWHXHLBMSS-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCC3CC3)CC2=O)C1 ZINC001108523507 836417733 /nfs/dbraw/zinc/41/77/33/836417733.db2.gz KWGIOYNCXKINJE-CYBMUJFWSA-N 1 2 291.395 0.764 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762869 836520776 /nfs/dbraw/zinc/52/07/76/836520776.db2.gz FTEXYMPKRBYFTB-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762869 836520789 /nfs/dbraw/zinc/52/07/89/836520789.db2.gz FTEXYMPKRBYFTB-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843337 836545316 /nfs/dbraw/zinc/54/53/16/836545316.db2.gz MFZWYCNJFAEDBN-ZNSHCXBVSA-N 1 2 299.321 0.111 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843337 836545321 /nfs/dbraw/zinc/54/53/21/836545321.db2.gz MFZWYCNJFAEDBN-ZNSHCXBVSA-N 1 2 299.321 0.111 20 30 CCEDLO C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255924 836647482 /nfs/dbraw/zinc/64/74/82/836647482.db2.gz YVUVSZCKVRREFW-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109267520 836649618 /nfs/dbraw/zinc/64/96/18/836649618.db2.gz PMSNDYVRKAINMK-RNJOBUHISA-N 1 2 268.332 0.716 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109267520 836649622 /nfs/dbraw/zinc/64/96/22/836649622.db2.gz PMSNDYVRKAINMK-RNJOBUHISA-N 1 2 268.332 0.716 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109351381 836658798 /nfs/dbraw/zinc/65/87/98/836658798.db2.gz XNZMQXAIHFAUFT-WOPDTQHZSA-N 1 2 265.357 0.550 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109351381 836658801 /nfs/dbraw/zinc/65/88/01/836658801.db2.gz XNZMQXAIHFAUFT-WOPDTQHZSA-N 1 2 265.357 0.550 20 30 CCEDLO CC(C)COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112718488 836881688 /nfs/dbraw/zinc/88/16/88/836881688.db2.gz LORNELSZHDMFJG-KBPBESRZSA-N 1 2 297.399 0.324 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCn2ccnn2)CC1 ZINC001112956462 836975466 /nfs/dbraw/zinc/97/54/66/836975466.db2.gz NVSSPZZMVHRGJM-UHFFFAOYSA-N 1 2 275.356 0.226 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113229538 837062516 /nfs/dbraw/zinc/06/25/16/837062516.db2.gz LSASJISJVSEMAG-KGLIPLIRSA-N 1 2 284.400 0.598 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113229896 837062655 /nfs/dbraw/zinc/06/26/55/837062655.db2.gz SVQYCCYGRULMCL-KGLIPLIRSA-N 1 2 291.399 0.881 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113246140 837066526 /nfs/dbraw/zinc/06/65/26/837066526.db2.gz HZKJPEXXCXFYOW-CQSZACIVSA-N 1 2 284.400 0.742 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113313188 837084294 /nfs/dbraw/zinc/08/42/94/837084294.db2.gz DUVCQIRKGUJLSD-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2cccnc2)CC1 ZINC001113588127 837169094 /nfs/dbraw/zinc/16/90/94/837169094.db2.gz BCOYYKOINLBYDV-UHFFFAOYSA-N 1 2 275.352 0.928 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccncc1C#N ZINC001113645323 837186907 /nfs/dbraw/zinc/18/69/07/837186907.db2.gz YMYLVBQONJEUSW-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccnc(C#N)n1 ZINC001113695441 837197240 /nfs/dbraw/zinc/19/72/40/837197240.db2.gz CCYIUHIXQLTIAG-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001113740579 837209344 /nfs/dbraw/zinc/20/93/44/837209344.db2.gz LIZIDHVIKKMDTO-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130742834 837910742 /nfs/dbraw/zinc/91/07/42/837910742.db2.gz JHHKNLYNTHDMDM-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130742834 837910745 /nfs/dbraw/zinc/91/07/45/837910745.db2.gz JHHKNLYNTHDMDM-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001184794294 844289453 /nfs/dbraw/zinc/28/94/53/844289453.db2.gz ARYAVEQEUJGZBA-LBPRGKRZSA-N 1 2 291.351 0.977 20 30 CCEDLO CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131743171 838199417 /nfs/dbraw/zinc/19/94/17/838199417.db2.gz LBYCWVGDDGJTLF-RYUDHWBXSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131743171 838199421 /nfs/dbraw/zinc/19/94/21/838199421.db2.gz LBYCWVGDDGJTLF-RYUDHWBXSA-N 1 2 280.372 0.395 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131780214 838223755 /nfs/dbraw/zinc/22/37/55/838223755.db2.gz NSVYYMDSUGXSES-VXGBXAGGSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131780214 838223763 /nfs/dbraw/zinc/22/37/63/838223763.db2.gz NSVYYMDSUGXSES-VXGBXAGGSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131874698 838252512 /nfs/dbraw/zinc/25/25/12/838252512.db2.gz CGFUKTDMSCYYJE-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131874698 838252520 /nfs/dbraw/zinc/25/25/20/838252520.db2.gz CGFUKTDMSCYYJE-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCCF)C[N@@H+]1CC(=O)NCC#N ZINC001132232170 838341447 /nfs/dbraw/zinc/34/14/47/838341447.db2.gz ROZPRKXLKPEQMT-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCCF)C[N@H+]1CC(=O)NCC#N ZINC001132232170 838341454 /nfs/dbraw/zinc/34/14/54/838341454.db2.gz ROZPRKXLKPEQMT-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO C=CCOCC[N@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001132369491 838374120 /nfs/dbraw/zinc/37/41/20/838374120.db2.gz XZIMTWNIBLAHMR-NWDGAFQWSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001132369491 838374126 /nfs/dbraw/zinc/37/41/26/838374126.db2.gz XZIMTWNIBLAHMR-NWDGAFQWSA-N 1 2 293.371 0.590 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132568754 838437634 /nfs/dbraw/zinc/43/76/34/838437634.db2.gz DCDFOMRQXXHKFH-QWRGUYRKSA-N 1 2 296.371 0.880 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132569135 838437760 /nfs/dbraw/zinc/43/77/60/838437760.db2.gz LGLVKBCQTDAFPQ-WDEREUQCSA-N 1 2 295.387 0.800 20 30 CCEDLO C=CC[C@@H](C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144025803 839916047 /nfs/dbraw/zinc/91/60/47/839916047.db2.gz BCHBAGJZSOADBY-PWSUYJOCSA-N 1 2 279.340 0.833 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001186046971 844495843 /nfs/dbraw/zinc/49/58/43/844495843.db2.gz INHTZLZAKFDRRX-SNVBAGLBSA-N 1 2 261.281 0.269 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001186046971 844495848 /nfs/dbraw/zinc/49/58/48/844495848.db2.gz INHTZLZAKFDRRX-SNVBAGLBSA-N 1 2 261.281 0.269 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC001092129948 840993154 /nfs/dbraw/zinc/99/31/54/840993154.db2.gz DKHQAQYNROTEBX-STQMWFEESA-N 1 2 290.367 0.807 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001093064620 841132524 /nfs/dbraw/zinc/13/25/24/841132524.db2.gz RZCHMJQXBLRGFA-PSASIEDQSA-N 1 2 283.763 0.855 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001093064620 841132535 /nfs/dbraw/zinc/13/25/35/841132535.db2.gz RZCHMJQXBLRGFA-PSASIEDQSA-N 1 2 283.763 0.855 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093064620 841132542 /nfs/dbraw/zinc/13/25/42/841132542.db2.gz RZCHMJQXBLRGFA-PSASIEDQSA-N 1 2 283.763 0.855 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001093064620 841132551 /nfs/dbraw/zinc/13/25/51/841132551.db2.gz RZCHMJQXBLRGFA-PSASIEDQSA-N 1 2 283.763 0.855 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093572662 841343511 /nfs/dbraw/zinc/34/35/11/841343511.db2.gz WIKQNSAHYMLRQH-ZDUSSCGKSA-N 1 2 264.329 0.640 20 30 CCEDLO Cc1ccc(C#N)c(NCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001093829617 841471365 /nfs/dbraw/zinc/47/13/65/841471365.db2.gz QHKBAQCZGVJJMA-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO Cc1ccc(C#N)c(NCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094150585 841550724 /nfs/dbraw/zinc/55/07/24/841550724.db2.gz QNUCELURGZVHPM-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C)nn2)C1 ZINC001094270897 841577279 /nfs/dbraw/zinc/57/72/79/841577279.db2.gz JHEHFSNNKWMJFC-SMDDNHRTSA-N 1 2 289.383 0.983 20 30 CCEDLO Cn1ncc2c1nc[nH+]c2NCCCNC(=O)C#CC1CC1 ZINC001094400188 841626995 /nfs/dbraw/zinc/62/69/95/841626995.db2.gz OUDXDDKZQSZQIM-UHFFFAOYSA-N 1 2 298.350 0.695 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001094406562 841638297 /nfs/dbraw/zinc/63/82/97/841638297.db2.gz CMZLJVWOCIMTRY-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#Cc1cccnc1NCCCNC(=O)Cn1cc[nH+]c1 ZINC001094471226 841642609 /nfs/dbraw/zinc/64/26/09/841642609.db2.gz DNMLLLHOYVTRDL-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3CC=CC3)CC2=O)C1 ZINC001094716986 841698080 /nfs/dbraw/zinc/69/80/80/841698080.db2.gz FTJCLWAOABQQBK-CYBMUJFWSA-N 1 2 289.379 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C=C3CCC3)CC2=O)C1 ZINC001094722329 841709056 /nfs/dbraw/zinc/70/90/56/841709056.db2.gz RITUWCCHGDBOBU-CYBMUJFWSA-N 1 2 289.379 0.684 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150159920 842016710 /nfs/dbraw/zinc/01/67/10/842016710.db2.gz SIHYHYMWHVFOEV-STQMWFEESA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150159920 842016715 /nfs/dbraw/zinc/01/67/15/842016715.db2.gz SIHYHYMWHVFOEV-STQMWFEESA-N 1 2 297.399 0.281 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C#N)ccn1 ZINC001176333842 842353621 /nfs/dbraw/zinc/35/36/21/842353621.db2.gz BGVWJLCIKWVHPW-GFCCVEGCSA-N 1 2 298.306 0.362 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C#N)ccn1 ZINC001176333842 842353633 /nfs/dbraw/zinc/35/36/33/842353633.db2.gz BGVWJLCIKWVHPW-GFCCVEGCSA-N 1 2 298.306 0.362 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001176883491 842439909 /nfs/dbraw/zinc/43/99/09/842439909.db2.gz YSJTWKMEUIMLEB-CABCVRRESA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001176883491 842439913 /nfs/dbraw/zinc/43/99/13/842439913.db2.gz YSJTWKMEUIMLEB-CABCVRRESA-N 1 2 294.395 0.901 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccnc(C#N)c1 ZINC001177672784 842649807 /nfs/dbraw/zinc/64/98/07/842649807.db2.gz QTMBVQIGEGZRPN-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccnc(C#N)c1 ZINC001177672784 842649817 /nfs/dbraw/zinc/64/98/17/842649817.db2.gz QTMBVQIGEGZRPN-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C#Cc2ccccn2)CC1 ZINC001177801834 842680636 /nfs/dbraw/zinc/68/06/36/842680636.db2.gz LLWRRJRQWKGYJP-UHFFFAOYSA-N 1 2 255.321 0.763 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C#N)Cc2cccs2)C1 ZINC001177917961 842710549 /nfs/dbraw/zinc/71/05/49/842710549.db2.gz YJRYRXFRQSIHLZ-NEPJUHHUSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C#N)Cc2cccs2)C1 ZINC001177917961 842710542 /nfs/dbraw/zinc/71/05/42/842710542.db2.gz YJRYRXFRQSIHLZ-NEPJUHHUSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178692353 842900409 /nfs/dbraw/zinc/90/04/09/842900409.db2.gz ZLMZHCXVIVEGQO-SNVBAGLBSA-N 1 2 285.311 0.225 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178692353 842900416 /nfs/dbraw/zinc/90/04/16/842900416.db2.gz ZLMZHCXVIVEGQO-SNVBAGLBSA-N 1 2 285.311 0.225 20 30 CCEDLO COc1cc(N2CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001179897525 843071572 /nfs/dbraw/zinc/07/15/72/843071572.db2.gz ZALVISBINCLOJA-LLVKDONJSA-N 1 2 274.324 0.898 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccsc2C#N)C1 ZINC001180755970 843277671 /nfs/dbraw/zinc/27/76/71/843277671.db2.gz FVVGDQHQSAXQRS-VIFPVBQESA-N 1 2 251.311 0.889 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccsc2C#N)C1 ZINC001180755970 843277680 /nfs/dbraw/zinc/27/76/80/843277680.db2.gz FVVGDQHQSAXQRS-VIFPVBQESA-N 1 2 251.311 0.889 20 30 CCEDLO C=C[C@@H]1C[C@@]1(NC(=O)Cc1cc[nH+]c(N)c1)C(=O)OCC ZINC001181279476 843441653 /nfs/dbraw/zinc/44/16/53/843441653.db2.gz JTTZBXHRODTWRC-ABAIWWIYSA-N 1 2 289.335 0.830 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC)C2 ZINC001110296578 843823566 /nfs/dbraw/zinc/82/35/66/843823566.db2.gz PRYCBCCMYABXBX-DGAVXFQQSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC)C2 ZINC001110296578 843823571 /nfs/dbraw/zinc/82/35/71/843823571.db2.gz PRYCBCCMYABXBX-DGAVXFQQSA-N 1 2 291.395 0.503 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC ZINC001110391245 844665858 /nfs/dbraw/zinc/66/58/58/844665858.db2.gz CTYPSNYAJQJKBO-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC ZINC001110391245 844665862 /nfs/dbraw/zinc/66/58/62/844665862.db2.gz CTYPSNYAJQJKBO-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCC1(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C)CC1 ZINC001190798738 845504857 /nfs/dbraw/zinc/50/48/57/845504857.db2.gz XUMXGEOQKUQXSZ-QWRGUYRKSA-N 1 2 256.371 0.813 20 30 CCEDLO C=CCC1(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C)CC1 ZINC001190798738 845504862 /nfs/dbraw/zinc/50/48/62/845504862.db2.gz XUMXGEOQKUQXSZ-QWRGUYRKSA-N 1 2 256.371 0.813 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@](C)(O)C=C)O2 ZINC001273656060 846038119 /nfs/dbraw/zinc/03/81/19/846038119.db2.gz UGCNJMAMFNJPPR-HIFRSBDPSA-N 1 2 294.395 0.849 20 30 CCEDLO N#Cc1cccc(C(=O)n2cnc(C[NH3+])cc2=N)c1O ZINC001193658039 846140687 /nfs/dbraw/zinc/14/06/87/846140687.db2.gz QRBBBFUAYPQATQ-UHFFFAOYSA-N 1 2 269.264 0.087 20 30 CCEDLO C#Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3C)cc1 ZINC001273674203 846248782 /nfs/dbraw/zinc/24/87/82/846248782.db2.gz MRNQGUKPIFLEMY-UHFFFAOYSA-N 1 2 270.332 0.711 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321143 846493425 /nfs/dbraw/zinc/49/34/25/846493425.db2.gz DRXCUTUXLJQJPM-OLZOCXBDSA-N 1 2 292.383 0.371 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321143 846493427 /nfs/dbraw/zinc/49/34/27/846493427.db2.gz DRXCUTUXLJQJPM-OLZOCXBDSA-N 1 2 292.383 0.371 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195531959 846569725 /nfs/dbraw/zinc/56/97/25/846569725.db2.gz JXQVMSMOYWVSSS-QJPTWQEYSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195531959 846569734 /nfs/dbraw/zinc/56/97/34/846569734.db2.gz JXQVMSMOYWVSSS-QJPTWQEYSA-N 1 2 258.337 0.720 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001195732855 846604205 /nfs/dbraw/zinc/60/42/05/846604205.db2.gz MZANTOPOHRKRPY-CHWSQXEVSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001195732855 846604213 /nfs/dbraw/zinc/60/42/13/846604213.db2.gz MZANTOPOHRKRPY-CHWSQXEVSA-N 1 2 297.399 0.029 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195746726 846619941 /nfs/dbraw/zinc/61/99/41/846619941.db2.gz FJUAXFJLKNGJBM-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195746726 846619945 /nfs/dbraw/zinc/61/99/45/846619945.db2.gz FJUAXFJLKNGJBM-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC001196648636 846782388 /nfs/dbraw/zinc/78/23/88/846782388.db2.gz JKFNVGKOSSQNMD-UHFFFAOYSA-N 1 2 289.383 0.685 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC001196648636 846782397 /nfs/dbraw/zinc/78/23/97/846782397.db2.gz JKFNVGKOSSQNMD-UHFFFAOYSA-N 1 2 289.383 0.685 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203241805 846841640 /nfs/dbraw/zinc/84/16/40/846841640.db2.gz UAKNDRKSFKQQIN-STQMWFEESA-N 1 2 287.367 0.814 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001199643113 847381194 /nfs/dbraw/zinc/38/11/94/847381194.db2.gz DYWZFJLOGYWAKQ-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001199643113 847381208 /nfs/dbraw/zinc/38/12/08/847381208.db2.gz DYWZFJLOGYWAKQ-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)[nH]1 ZINC001199680066 847397890 /nfs/dbraw/zinc/39/78/90/847397890.db2.gz LYZGDYNUGSJCDU-UHFFFAOYSA-N 1 2 255.281 0.781 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CC1CCCC1)C(=O)CO2 ZINC001273884728 847734782 /nfs/dbraw/zinc/73/47/82/847734782.db2.gz KJBWUWRTIXARHV-AWEZNQCLSA-N 1 2 294.395 0.637 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001273910052 847820569 /nfs/dbraw/zinc/82/05/69/847820569.db2.gz MBBIEIPRDOHOMA-ITKZLYELSA-N 1 2 290.371 0.781 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OC ZINC001273931467 847860418 /nfs/dbraw/zinc/86/04/18/847860418.db2.gz KNILSMAWOGHTKB-AWEZNQCLSA-N 1 2 266.341 0.802 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC ZINC001273931467 847860422 /nfs/dbraw/zinc/86/04/22/847860422.db2.gz KNILSMAWOGHTKB-AWEZNQCLSA-N 1 2 266.341 0.802 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@H+]2COCCOC)C1=O ZINC001273990475 848212131 /nfs/dbraw/zinc/21/21/31/848212131.db2.gz OHQCRZLMZDVMNX-AWEZNQCLSA-N 1 2 268.357 0.860 20 30 CCEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2COCCOC)C1=O ZINC001273990475 848212135 /nfs/dbraw/zinc/21/21/35/848212135.db2.gz OHQCRZLMZDVMNX-AWEZNQCLSA-N 1 2 268.357 0.860 20 30 CCEDLO C=CCN1CC2(CN(Cc3c[nH+]cn3CC)C2)OCC1=O ZINC001274343302 848454831 /nfs/dbraw/zinc/45/48/31/848454831.db2.gz VVUKTMQJYXNVTN-UHFFFAOYSA-N 1 2 290.367 0.502 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001274467962 848484348 /nfs/dbraw/zinc/48/43/48/848484348.db2.gz NMVBOTUJZXKEAG-AWEZNQCLSA-N 1 2 277.412 0.884 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)CCC)C[C@@]2(F)C1=O ZINC001274630326 848526787 /nfs/dbraw/zinc/52/67/87/848526787.db2.gz GIRGGWJIRBZBLQ-FPMFFAJLSA-N 1 2 288.338 0.908 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)CCC)C[C@@]2(F)C1=O ZINC001274630326 848526794 /nfs/dbraw/zinc/52/67/94/848526794.db2.gz GIRGGWJIRBZBLQ-FPMFFAJLSA-N 1 2 288.338 0.908 20 30 CCEDLO C[C@@H](NCC#N)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275402791 848711565 /nfs/dbraw/zinc/71/15/65/848711565.db2.gz CZWJOFGBSNUHPX-NEPJUHHUSA-N 1 2 289.383 0.768 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2cc(C)no2)C1 ZINC001276028083 848895294 /nfs/dbraw/zinc/89/52/94/848895294.db2.gz PMJSRRUKAIHBGU-UHFFFAOYSA-N 1 2 279.340 0.726 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001095582704 848991877 /nfs/dbraw/zinc/99/18/77/848991877.db2.gz GAOZZGSNHHWRHO-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001111165710 849083250 /nfs/dbraw/zinc/08/32/50/849083250.db2.gz TZWVCACWQDDFOI-UTUOFQBUSA-N 1 2 291.355 0.342 20 30 CCEDLO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001111165710 849083255 /nfs/dbraw/zinc/08/32/55/849083255.db2.gz TZWVCACWQDDFOI-UTUOFQBUSA-N 1 2 291.355 0.342 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038678991 849569986 /nfs/dbraw/zinc/56/99/86/849569986.db2.gz JYYYQCOOHRZUOL-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038678991 849569991 /nfs/dbraw/zinc/56/99/91/849569991.db2.gz JYYYQCOOHRZUOL-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C2CCC2)C1=O ZINC001038009013 849636587 /nfs/dbraw/zinc/63/65/87/849636587.db2.gz ZIUPBAQPRGYKPE-KBPBESRZSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C2CCC2)C1=O ZINC001038009013 849636589 /nfs/dbraw/zinc/63/65/89/849636589.db2.gz ZIUPBAQPRGYKPE-KBPBESRZSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC=C)C1 ZINC001276377190 849795753 /nfs/dbraw/zinc/79/57/53/849795753.db2.gz TWMBMTZUZDKYHS-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001038256525 849832694 /nfs/dbraw/zinc/83/26/94/849832694.db2.gz CRYMGEKUGFFUSR-MCIONIFRSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001038256525 849832701 /nfs/dbraw/zinc/83/27/01/849832701.db2.gz CRYMGEKUGFFUSR-MCIONIFRSA-N 1 2 262.353 0.791 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038277517 849836238 /nfs/dbraw/zinc/83/62/38/849836238.db2.gz PVTDKXCAWGEDBH-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038277517 849836248 /nfs/dbraw/zinc/83/62/48/849836248.db2.gz PVTDKXCAWGEDBH-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038561956 849942949 /nfs/dbraw/zinc/94/29/49/849942949.db2.gz AWHKRIKMFSEZON-CYBMUJFWSA-N 1 2 274.368 0.864 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038561956 849942952 /nfs/dbraw/zinc/94/29/52/849942952.db2.gz AWHKRIKMFSEZON-CYBMUJFWSA-N 1 2 274.368 0.864 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038647433 849967948 /nfs/dbraw/zinc/96/79/48/849967948.db2.gz RHGFQKGDBNEQKB-SECBINFHSA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038647433 849967956 /nfs/dbraw/zinc/96/79/56/849967956.db2.gz RHGFQKGDBNEQKB-SECBINFHSA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038734128 849998474 /nfs/dbraw/zinc/99/84/74/849998474.db2.gz FACFSNNZQWKQCN-LLVKDONJSA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038734128 849998465 /nfs/dbraw/zinc/99/84/65/849998465.db2.gz FACFSNNZQWKQCN-LLVKDONJSA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803714 850022322 /nfs/dbraw/zinc/02/23/22/850022322.db2.gz IMCAHVMFADSPDW-NSHDSACASA-N 1 2 261.325 0.983 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803714 850022333 /nfs/dbraw/zinc/02/23/33/850022333.db2.gz IMCAHVMFADSPDW-NSHDSACASA-N 1 2 261.325 0.983 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001038824632 850029639 /nfs/dbraw/zinc/02/96/39/850029639.db2.gz ANUDEGJVTXITLB-LBPRGKRZSA-N 1 2 291.351 0.906 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001038824632 850029641 /nfs/dbraw/zinc/02/96/41/850029641.db2.gz ANUDEGJVTXITLB-LBPRGKRZSA-N 1 2 291.351 0.906 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001038900554 850072707 /nfs/dbraw/zinc/07/27/07/850072707.db2.gz WJIJPMRBQGZJMN-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001038900554 850072724 /nfs/dbraw/zinc/07/27/24/850072724.db2.gz WJIJPMRBQGZJMN-CHWSQXEVSA-N 1 2 277.368 0.069 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001038916552 850084592 /nfs/dbraw/zinc/08/45/92/850084592.db2.gz FSRROLIGQVPKFT-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001038916552 850084603 /nfs/dbraw/zinc/08/46/03/850084603.db2.gz FSRROLIGQVPKFT-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942980 850096190 /nfs/dbraw/zinc/09/61/90/850096190.db2.gz MTLJKIGYKLYZQB-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942980 850096199 /nfs/dbraw/zinc/09/61/99/850096199.db2.gz MTLJKIGYKLYZQB-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055032 850142661 /nfs/dbraw/zinc/14/26/61/850142661.db2.gz RFAUPVMHMBRQRN-NSHDSACASA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055032 850142666 /nfs/dbraw/zinc/14/26/66/850142666.db2.gz RFAUPVMHMBRQRN-NSHDSACASA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3n[nH]nc31)C2 ZINC001095934969 850250449 /nfs/dbraw/zinc/25/04/49/850250449.db2.gz XPGMJZSMRYYYPM-XWUBHJNHSA-N 1 2 299.378 0.579 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3n[nH]nc31)C2 ZINC001095934969 850250463 /nfs/dbraw/zinc/25/04/63/850250463.db2.gz XPGMJZSMRYYYPM-XWUBHJNHSA-N 1 2 299.378 0.579 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089932 850577286 /nfs/dbraw/zinc/57/72/86/850577286.db2.gz HEKFKVWHVFROON-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089932 850577296 /nfs/dbraw/zinc/57/72/96/850577296.db2.gz HEKFKVWHVFROON-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210372 850596473 /nfs/dbraw/zinc/59/64/73/850596473.db2.gz IKNGEBRPMRQNLV-UWVGGRQHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210372 850596483 /nfs/dbraw/zinc/59/64/83/850596483.db2.gz IKNGEBRPMRQNLV-UWVGGRQHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216162 850598252 /nfs/dbraw/zinc/59/82/52/850598252.db2.gz MMKPDIUXSGBQFA-DGCLKSJQSA-N 1 2 290.367 0.848 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216162 850598256 /nfs/dbraw/zinc/59/82/56/850598256.db2.gz MMKPDIUXSGBQFA-DGCLKSJQSA-N 1 2 290.367 0.848 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccnc2N)C1 ZINC001042547770 850693291 /nfs/dbraw/zinc/69/32/91/850693291.db2.gz VQZPSPJIFIFSRI-UHFFFAOYSA-N 1 2 261.329 0.391 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccnn2C)C1 ZINC001042665884 850727803 /nfs/dbraw/zinc/72/78/03/850727803.db2.gz MVBFMHXRJSJNPU-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001042683467 850734613 /nfs/dbraw/zinc/73/46/13/850734613.db2.gz WTZRUWYRHJAOTQ-UHFFFAOYSA-N 1 2 264.329 0.639 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001042733820 850747053 /nfs/dbraw/zinc/74/70/53/850747053.db2.gz VKDOOZBOZFUAMX-UHFFFAOYSA-N 1 2 287.367 0.783 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001042879319 850773453 /nfs/dbraw/zinc/77/34/53/850773453.db2.gz ZDQMXQWHCQPQRJ-UHFFFAOYSA-N 1 2 262.357 0.600 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3ccncc23)C1 ZINC001042935829 850782945 /nfs/dbraw/zinc/78/29/45/850782945.db2.gz CPQPEHLJTLTRAW-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001043113842 850816665 /nfs/dbraw/zinc/81/66/65/850816665.db2.gz SUHUEUZKRNFELT-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001043188301 850828180 /nfs/dbraw/zinc/82/81/80/850828180.db2.gz KOKCNANTGRWOLD-UHFFFAOYSA-N 1 2 293.411 0.997 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001043530137 850893380 /nfs/dbraw/zinc/89/33/80/850893380.db2.gz MJXLXDGZLUEFEY-UHFFFAOYSA-N 1 2 264.329 0.458 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001043600442 850905762 /nfs/dbraw/zinc/90/57/62/850905762.db2.gz SVJAFUFXLPXLEF-HNNXBMFYSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001043670836 850921556 /nfs/dbraw/zinc/92/15/56/850921556.db2.gz XIUXLWAVUNYGDE-UHFFFAOYSA-N 1 2 298.350 0.143 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001043679042 850921810 /nfs/dbraw/zinc/92/18/10/850921810.db2.gz MNXHLZGVNYTGOV-GFCCVEGCSA-N 1 2 289.383 0.943 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCNC2=O)C1 ZINC001043850334 850949837 /nfs/dbraw/zinc/94/98/37/850949837.db2.gz BTBZLUAJWHBWAF-CQSZACIVSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001043987815 850978257 /nfs/dbraw/zinc/97/82/57/850978257.db2.gz MRRWZSMGVRQAOZ-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(Cl)CN1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044187113 851038544 /nfs/dbraw/zinc/03/85/44/851038544.db2.gz WZBSFNHHSKTQNC-UHFFFAOYSA-N 1 2 282.775 0.858 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC3CCC3)CC2)C1 ZINC001046014816 851351223 /nfs/dbraw/zinc/35/12/23/851351223.db2.gz CSRCZEIAELERAL-OAHLLOKOSA-N 1 2 290.411 0.919 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001046014357 851351965 /nfs/dbraw/zinc/35/19/65/851351965.db2.gz WDMVBFBAIWFXCU-OAHLLOKOSA-N 1 2 290.411 0.919 20 30 CCEDLO CC(C)=C(F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046021381 851356059 /nfs/dbraw/zinc/35/60/59/851356059.db2.gz FDKJZKGNSNAJGE-CYBMUJFWSA-N 1 2 294.374 0.992 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001047312667 851710038 /nfs/dbraw/zinc/71/00/38/851710038.db2.gz CLPCDNNSWVGZMS-QWRGUYRKSA-N 1 2 281.381 0.755 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001047312667 851710046 /nfs/dbraw/zinc/71/00/46/851710046.db2.gz CLPCDNNSWVGZMS-QWRGUYRKSA-N 1 2 281.381 0.755 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001047445317 851766208 /nfs/dbraw/zinc/76/62/08/851766208.db2.gz SXYGGZXYNPWZDN-STQMWFEESA-N 1 2 299.330 0.578 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001047445317 851766211 /nfs/dbraw/zinc/76/62/11/851766211.db2.gz SXYGGZXYNPWZDN-STQMWFEESA-N 1 2 299.330 0.578 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001047603110 851832348 /nfs/dbraw/zinc/83/23/48/851832348.db2.gz TVDFIRQBJCXDIG-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001047603110 851832350 /nfs/dbraw/zinc/83/23/50/851832350.db2.gz TVDFIRQBJCXDIG-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001047609422 851835699 /nfs/dbraw/zinc/83/56/99/851835699.db2.gz PGXUGXXJSIZGNL-STQMWFEESA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001047609422 851835705 /nfs/dbraw/zinc/83/57/05/851835705.db2.gz PGXUGXXJSIZGNL-STQMWFEESA-N 1 2 294.301 0.715 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096339697 851941431 /nfs/dbraw/zinc/94/14/31/851941431.db2.gz VFRKVSLALAWEIR-NXEZZACHSA-N 1 2 299.338 0.218 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049107048 852165024 /nfs/dbraw/zinc/16/50/24/852165024.db2.gz SILFORPRSYZYMM-RWMBFGLXSA-N 1 2 287.367 0.502 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049107048 852165029 /nfs/dbraw/zinc/16/50/29/852165029.db2.gz SILFORPRSYZYMM-RWMBFGLXSA-N 1 2 287.367 0.502 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 ZINC001053183345 852703602 /nfs/dbraw/zinc/70/36/02/852703602.db2.gz VSUNXAJURAFPJT-ZDUSSCGKSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)CCO2 ZINC001053185452 852705860 /nfs/dbraw/zinc/70/58/60/852705860.db2.gz LQVVZTQQLCNQQV-CYBMUJFWSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001053507139 852752548 /nfs/dbraw/zinc/75/25/48/852752548.db2.gz DQQBYOMGQLVDOS-UHFFFAOYSA-N 1 2 290.367 0.062 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)n1)CCO2 ZINC001053533555 852755904 /nfs/dbraw/zinc/75/59/04/852755904.db2.gz WUFYQCUVKYSJLK-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)CO2 ZINC001053713070 852784442 /nfs/dbraw/zinc/78/44/42/852784442.db2.gz BWJWCHPLIQTZCN-ZDUSSCGKSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCO1)CO2 ZINC001053748504 852800374 /nfs/dbraw/zinc/80/03/74/852800374.db2.gz YJGKABJPSKOYIS-KBPBESRZSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053781959 852817966 /nfs/dbraw/zinc/81/79/66/852817966.db2.gz ZFVNKRCNHZPCLQ-ZDUSSCGKSA-N 1 2 298.346 0.483 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC1(F)F)CO2 ZINC001053796487 852824397 /nfs/dbraw/zinc/82/43/97/852824397.db2.gz JFFSZRDNEGSGMT-GHMZBOCLSA-N 1 2 284.306 0.624 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053805797 852826186 /nfs/dbraw/zinc/82/61/86/852826186.db2.gz XNZMJDYHHCDYAY-MJBXVCDLSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncn1C)CO2 ZINC001053859146 852833614 /nfs/dbraw/zinc/83/36/14/852833614.db2.gz BIUYVLRKOIOQOZ-LBPRGKRZSA-N 1 2 288.351 0.017 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]n1)CO2 ZINC001053861870 852833821 /nfs/dbraw/zinc/83/38/21/852833821.db2.gz XTUHYXREDCGDMP-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn[nH]1)CO2 ZINC001053861870 852833829 /nfs/dbraw/zinc/83/38/29/852833829.db2.gz XTUHYXREDCGDMP-LLVKDONJSA-N 1 2 291.355 0.344 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cnoc1)CO2 ZINC001053902556 852842765 /nfs/dbraw/zinc/84/27/65/852842765.db2.gz DINDPIOKTIGPGL-CYBMUJFWSA-N 1 2 289.335 0.200 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(C)n1)CO2 ZINC001054007332 852865767 /nfs/dbraw/zinc/86/57/67/852865767.db2.gz CKINYPGYFXZRQU-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nonc1C)CO2 ZINC001054025268 852871282 /nfs/dbraw/zinc/87/12/82/852871282.db2.gz UZRMYEXGFGNPOA-NSHDSACASA-N 1 2 292.339 0.527 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCNC3=O)cc2C1 ZINC001054276912 852899779 /nfs/dbraw/zinc/89/97/79/852899779.db2.gz APAHPUDVIIENML-HNNXBMFYSA-N 1 2 297.358 0.388 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCNC3=O)cc2C1 ZINC001054276912 852899786 /nfs/dbraw/zinc/89/97/86/852899786.db2.gz APAHPUDVIIENML-HNNXBMFYSA-N 1 2 297.358 0.388 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCC1 ZINC001263804703 853143537 /nfs/dbraw/zinc/14/35/37/853143537.db2.gz FUXVXDUIYSZNKS-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCC1 ZINC001263804703 853143539 /nfs/dbraw/zinc/14/35/39/853143539.db2.gz FUXVXDUIYSZNKS-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001050825713 853449036 /nfs/dbraw/zinc/44/90/36/853449036.db2.gz URBQCSSWHNOPIZ-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001050825713 853449042 /nfs/dbraw/zinc/44/90/42/853449042.db2.gz URBQCSSWHNOPIZ-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccon1 ZINC001050826528 853449398 /nfs/dbraw/zinc/44/93/98/853449398.db2.gz DTKFTWNELUMMSE-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccon1 ZINC001050826528 853449400 /nfs/dbraw/zinc/44/94/00/853449400.db2.gz DTKFTWNELUMMSE-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1C ZINC001050828570 853450792 /nfs/dbraw/zinc/45/07/92/853450792.db2.gz RGPWMEIFFCSGCD-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1C ZINC001050828570 853450795 /nfs/dbraw/zinc/45/07/95/853450795.db2.gz RGPWMEIFFCSGCD-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001050837079 853453680 /nfs/dbraw/zinc/45/36/80/853453680.db2.gz WMSLIBTYJFDCJX-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001050837079 853453682 /nfs/dbraw/zinc/45/36/82/853453682.db2.gz WMSLIBTYJFDCJX-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001051009952 853505754 /nfs/dbraw/zinc/50/57/54/853505754.db2.gz NSPWPEKHRRDOOQ-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001051009952 853505758 /nfs/dbraw/zinc/50/57/58/853505758.db2.gz NSPWPEKHRRDOOQ-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001051056159 853513127 /nfs/dbraw/zinc/51/31/27/853513127.db2.gz KIQUNJJKZCNWPE-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001051056159 853513133 /nfs/dbraw/zinc/51/31/33/853513133.db2.gz KIQUNJJKZCNWPE-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccncc3)C2)CC1 ZINC001051970956 853668272 /nfs/dbraw/zinc/66/82/72/853668272.db2.gz CAHXANWTQWQVMC-MRXNPFEDSA-N 1 2 298.390 0.547 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051984601 853670075 /nfs/dbraw/zinc/67/00/75/853670075.db2.gz LEUQIHBYRHYPJR-HNNXBMFYSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051995951 853671445 /nfs/dbraw/zinc/67/14/45/853671445.db2.gz HJPJSATZPXCCLJ-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051995951 853671453 /nfs/dbraw/zinc/67/14/53/853671453.db2.gz HJPJSATZPXCCLJ-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051997378 853672330 /nfs/dbraw/zinc/67/23/30/853672330.db2.gz AXRJNRINQRLJIG-HUUCEWRRSA-N 1 2 288.395 0.388 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052008980 853675484 /nfs/dbraw/zinc/67/54/84/853675484.db2.gz KFHWWUSTSDKAAA-NUKWSGDCSA-N 1 2 275.396 0.804 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052030209 853678005 /nfs/dbraw/zinc/67/80/05/853678005.db2.gz JLLCZTQZMPAKIP-CQSZACIVSA-N 1 2 275.396 0.638 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(CF)CC3)C2)CC1 ZINC001052082445 853681111 /nfs/dbraw/zinc/68/11/11/853681111.db2.gz SNAKUCCITRPDCO-ZDUSSCGKSA-N 1 2 294.374 0.478 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052110634 853683985 /nfs/dbraw/zinc/68/39/85/853683985.db2.gz UUWLPBJJMNUCAR-AWEZNQCLSA-N 1 2 277.412 0.884 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058422950 853843324 /nfs/dbraw/zinc/84/33/24/853843324.db2.gz SYSDNJCOZXZDIE-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276382042 853956634 /nfs/dbraw/zinc/95/66/34/853956634.db2.gz RSEXVYIRSWQFSL-SNVBAGLBSA-N 1 2 253.346 0.265 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001069933357 854006728 /nfs/dbraw/zinc/00/67/28/854006728.db2.gz SDAPPIZBZHLXPY-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001069933357 854006733 /nfs/dbraw/zinc/00/67/33/854006733.db2.gz SDAPPIZBZHLXPY-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071501094 854221574 /nfs/dbraw/zinc/22/15/74/854221574.db2.gz IFLDYIDFMFGFSN-YPMHNXCESA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071501094 854221579 /nfs/dbraw/zinc/22/15/79/854221579.db2.gz IFLDYIDFMFGFSN-YPMHNXCESA-N 1 2 289.383 0.648 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074118594 854673127 /nfs/dbraw/zinc/67/31/27/854673127.db2.gz JWTHLXICIMGOKG-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001074118594 854673135 /nfs/dbraw/zinc/67/31/35/854673135.db2.gz JWTHLXICIMGOKG-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235055 854703133 /nfs/dbraw/zinc/70/31/33/854703133.db2.gz CVUAFIRBTHWLDX-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235055 854703135 /nfs/dbraw/zinc/70/31/35/854703135.db2.gz CVUAFIRBTHWLDX-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001074719465 854770269 /nfs/dbraw/zinc/77/02/69/854770269.db2.gz GYDZRPNUUVHVTA-XQQFMLRXSA-N 1 2 287.367 0.548 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001098733543 854878480 /nfs/dbraw/zinc/87/84/80/854878480.db2.gz LSGWJXYEPIKMHY-ZIAGYGMSSA-N 1 2 299.378 0.574 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099725822 854977740 /nfs/dbraw/zinc/97/77/40/854977740.db2.gz ZJESGFIKAVRLRS-NWDGAFQWSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099725822 854977745 /nfs/dbraw/zinc/97/77/45/854977745.db2.gz ZJESGFIKAVRLRS-NWDGAFQWSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCCC)[C@H](O)C1 ZINC001099731658 854979758 /nfs/dbraw/zinc/97/97/58/854979758.db2.gz AOUZOHIVNZRJHK-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCCC)[C@H](O)C1 ZINC001099731658 854979770 /nfs/dbraw/zinc/97/97/70/854979770.db2.gz AOUZOHIVNZRJHK-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO CCOC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001256028756 855125372 /nfs/dbraw/zinc/12/53/72/855125372.db2.gz JHTUNPOAQBQYEH-WDEREUQCSA-N 1 2 252.318 0.015 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001100354273 855154576 /nfs/dbraw/zinc/15/45/76/855154576.db2.gz TYBWBMXEDWSIAJ-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1nccnc1C#N ZINC001100380142 855158015 /nfs/dbraw/zinc/15/80/15/855158015.db2.gz CZMBFQNRUFVOMC-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1nccnc1C#N ZINC001100380142 855158021 /nfs/dbraw/zinc/15/80/21/855158021.db2.gz CZMBFQNRUFVOMC-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO Cc1nc(N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001100950075 855246408 /nfs/dbraw/zinc/24/64/08/855246408.db2.gz NEBDOVPUWFHJFR-ZYHUDNBSSA-N 1 2 273.340 0.887 20 30 CCEDLO CC(=O)N(C)CC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001102409691 855433061 /nfs/dbraw/zinc/43/30/61/855433061.db2.gz PIDMNZLBUULRAQ-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001103334752 855512213 /nfs/dbraw/zinc/51/22/13/855512213.db2.gz MCVZYRFUSVAJQO-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]ncc2F)C1 ZINC001103411332 855517730 /nfs/dbraw/zinc/51/77/30/855517730.db2.gz XSSPLWGHUGWVBJ-GHMZBOCLSA-N 1 2 278.331 0.870 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]ncc2F)C1 ZINC001103411332 855517733 /nfs/dbraw/zinc/51/77/33/855517733.db2.gz XSSPLWGHUGWVBJ-GHMZBOCLSA-N 1 2 278.331 0.870 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089848 855567764 /nfs/dbraw/zinc/56/77/64/855567764.db2.gz QSGZWLDJUCZKSF-VXGBXAGGSA-N 1 2 290.367 0.988 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115332794 855662624 /nfs/dbraw/zinc/66/26/24/855662624.db2.gz PZKQMVZMCUCVTC-SCUASFONSA-N 1 2 291.351 0.812 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115332794 855662627 /nfs/dbraw/zinc/66/26/27/855662627.db2.gz PZKQMVZMCUCVTC-SCUASFONSA-N 1 2 291.351 0.812 20 30 CCEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001116759620 855828287 /nfs/dbraw/zinc/82/82/87/855828287.db2.gz HYVRVDRATFMGLA-LBPRGKRZSA-N 1 2 297.380 0.544 20 30 CCEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001116759620 855828289 /nfs/dbraw/zinc/82/82/89/855828289.db2.gz HYVRVDRATFMGLA-LBPRGKRZSA-N 1 2 297.380 0.544 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC001117078909 855907198 /nfs/dbraw/zinc/90/71/98/855907198.db2.gz WZYMMKWTQDRPBP-NSHDSACASA-N 1 2 276.340 0.565 20 30 CCEDLO N#CC1(CC(=O)NCCc2[nH]cc[nH+]2)CCOCC1 ZINC001118658208 856382680 /nfs/dbraw/zinc/38/26/80/856382680.db2.gz UACIHTCXQKAWEX-UHFFFAOYSA-N 1 2 262.313 0.779 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccnn1 ZINC001119845082 856894430 /nfs/dbraw/zinc/89/44/30/856894430.db2.gz JGNHKWWQGNPUTK-UHFFFAOYSA-N 1 2 250.302 0.550 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccnn1 ZINC001119845082 856894432 /nfs/dbraw/zinc/89/44/32/856894432.db2.gz JGNHKWWQGNPUTK-UHFFFAOYSA-N 1 2 250.302 0.550 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001324292492 912761411 /nfs/dbraw/zinc/76/14/11/912761411.db2.gz DCYFZSAGPURYEU-LLVKDONJSA-N 1 2 288.351 0.491 20 30 CCEDLO N#Cc1csc(C[NH+]2CCC(C(N)=O)CC2)n1 ZINC001324624271 912947640 /nfs/dbraw/zinc/94/76/40/912947640.db2.gz WVSGKDDCCSOBCH-UHFFFAOYSA-N 1 2 250.327 0.712 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCc2ccncc2)C1 ZINC001325232344 913293530 /nfs/dbraw/zinc/29/35/30/913293530.db2.gz HWOBJWPAYCIGIL-UHFFFAOYSA-N 1 2 287.363 0.200 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2ccc(F)cc2)C1 ZINC001325311869 913336763 /nfs/dbraw/zinc/33/67/63/913336763.db2.gz NGZOEGJTPIKKQU-UHFFFAOYSA-N 1 2 290.338 0.554 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001325329421 913346237 /nfs/dbraw/zinc/34/62/37/913346237.db2.gz VVYUEPICPKNQES-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001266326912 891447967 /nfs/dbraw/zinc/44/79/67/891447967.db2.gz PYCBJQJDVCCQKG-SNVBAGLBSA-N 1 2 291.342 0.628 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001266326912 891447975 /nfs/dbraw/zinc/44/79/75/891447975.db2.gz PYCBJQJDVCCQKG-SNVBAGLBSA-N 1 2 291.342 0.628 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001283640896 891973048 /nfs/dbraw/zinc/97/30/48/891973048.db2.gz ICLAPMLSGFQMKC-NSHDSACASA-N 1 2 277.328 0.007 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001481024248 892076109 /nfs/dbraw/zinc/07/61/09/892076109.db2.gz CUVGUEJGBVQHAA-ZDUSSCGKSA-N 1 2 289.335 0.223 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001481024248 892076129 /nfs/dbraw/zinc/07/61/29/892076129.db2.gz CUVGUEJGBVQHAA-ZDUSSCGKSA-N 1 2 289.335 0.223 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H](C)COC)CC1 ZINC001481471668 892715663 /nfs/dbraw/zinc/71/56/63/892715663.db2.gz CPQKDHNQSARFBR-OAHLLOKOSA-N 1 2 297.443 0.921 20 30 CCEDLO C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C#CC3CC3)C2)O1 ZINC001481558204 892834906 /nfs/dbraw/zinc/83/49/06/892834906.db2.gz NMMLFXWVIIBODQ-RISCZKNCSA-N 1 2 262.353 0.768 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001481573775 892847568 /nfs/dbraw/zinc/84/75/68/892847568.db2.gz DQCMRPJUGQNROD-UHFFFAOYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CCC1 ZINC001481580964 892862664 /nfs/dbraw/zinc/86/26/64/892862664.db2.gz JAZNGRDDLXZUHT-CYBMUJFWSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCC(=O)NCCC)C1 ZINC001481596324 892881090 /nfs/dbraw/zinc/88/10/90/892881090.db2.gz ZNWHHUGWZKTFED-UHFFFAOYSA-N 1 2 265.357 0.117 20 30 CCEDLO CC(C)C#CC(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001481624208 892923314 /nfs/dbraw/zinc/92/33/14/892923314.db2.gz PGRWXGWQYHKWEE-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001498252822 893315082 /nfs/dbraw/zinc/31/50/82/893315082.db2.gz ABYQGBUUSRODRC-SNVBAGLBSA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001498252822 893315100 /nfs/dbraw/zinc/31/51/00/893315100.db2.gz ABYQGBUUSRODRC-SNVBAGLBSA-N 1 2 285.779 0.926 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1CNCC#N ZINC001482060179 893342887 /nfs/dbraw/zinc/34/28/87/893342887.db2.gz HNMZQMYQGALFQE-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)o1 ZINC001482266224 893708785 /nfs/dbraw/zinc/70/87/85/893708785.db2.gz LZHNQEMNONVSDI-IUCAKERBSA-N 1 2 265.317 0.474 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1ccnc(C#N)n1 ZINC001396160710 913822537 /nfs/dbraw/zinc/82/25/37/913822537.db2.gz YQMWCEKUNVLNCV-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001482479510 894100168 /nfs/dbraw/zinc/10/01/68/894100168.db2.gz KIDLUJIFWNJTLX-VXGBXAGGSA-N 1 2 275.356 0.692 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001482534230 894201622 /nfs/dbraw/zinc/20/16/22/894201622.db2.gz UNADSJNGTSEIOK-LBPRGKRZSA-N 1 2 294.403 0.797 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001482585926 894293085 /nfs/dbraw/zinc/29/30/85/894293085.db2.gz CEVJXXGSXSHPKI-LLVKDONJSA-N 1 2 292.387 0.656 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001482585926 894293093 /nfs/dbraw/zinc/29/30/93/894293093.db2.gz CEVJXXGSXSHPKI-LLVKDONJSA-N 1 2 292.387 0.656 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC001326279569 913865828 /nfs/dbraw/zinc/86/58/28/913865828.db2.gz KNVMOMHWQKVUDX-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC001326279569 913865850 /nfs/dbraw/zinc/86/58/50/913865850.db2.gz KNVMOMHWQKVUDX-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105469054 894464085 /nfs/dbraw/zinc/46/40/85/894464085.db2.gz JPYYVSMZBXVHQR-GFCCVEGCSA-N 1 2 290.367 0.718 20 30 CCEDLO CCn1ncc(C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N)n1 ZINC001482992105 894782349 /nfs/dbraw/zinc/78/23/49/894782349.db2.gz VPWYCQFNWYHTBD-DOGVGXBMSA-N 1 2 276.344 0.220 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cncn1 ZINC001409493155 895206175 /nfs/dbraw/zinc/20/61/75/895206175.db2.gz LVLKAMYOFFWTII-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cncn1 ZINC001409493155 895206189 /nfs/dbraw/zinc/20/61/89/895206189.db2.gz LVLKAMYOFFWTII-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001483646556 895788809 /nfs/dbraw/zinc/78/88/09/895788809.db2.gz BZVZJTHNWZELKW-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001483646556 895788827 /nfs/dbraw/zinc/78/88/27/895788827.db2.gz BZVZJTHNWZELKW-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001483673672 895831608 /nfs/dbraw/zinc/83/16/08/895831608.db2.gz SDMWWLLCRYOWRM-CHWSQXEVSA-N 1 2 270.348 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001483673672 895831617 /nfs/dbraw/zinc/83/16/17/895831617.db2.gz SDMWWLLCRYOWRM-CHWSQXEVSA-N 1 2 270.348 0.821 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001483857199 896080344 /nfs/dbraw/zinc/08/03/44/896080344.db2.gz JGPQILCHNJUVDP-UHFFFAOYSA-N 1 2 292.383 0.985 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C1C[NH+](CCOCC=C)C1 ZINC001483865792 896086145 /nfs/dbraw/zinc/08/61/45/896086145.db2.gz YMXGPGOLEJRNFX-ZDUSSCGKSA-N 1 2 280.368 0.370 20 30 CCEDLO C[C@H](CC(=O)N[C@@]1(C)CCN(CC#N)C1)n1cc[nH+]c1 ZINC001484061907 896179316 /nfs/dbraw/zinc/17/93/16/896179316.db2.gz YJDZCZNATLZSKC-OCCSQVGLSA-N 1 2 275.356 0.938 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001326611429 914046229 /nfs/dbraw/zinc/04/62/29/914046229.db2.gz KIKUIIPDQZCRNX-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001326611429 914046249 /nfs/dbraw/zinc/04/62/49/914046249.db2.gz KIKUIIPDQZCRNX-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(C)s2)C1 ZINC001484255363 896281588 /nfs/dbraw/zinc/28/15/88/896281588.db2.gz DPTPFSBCOKOVRW-UHFFFAOYSA-N 1 2 278.377 0.856 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COCC(F)F)C1 ZINC001484285841 896321171 /nfs/dbraw/zinc/32/11/71/896321171.db2.gz SVXFTXPVWLXUET-UHFFFAOYSA-N 1 2 278.299 0.007 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001484583540 896475115 /nfs/dbraw/zinc/47/51/15/896475115.db2.gz CESFDPPMYJQCSW-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001484583540 896475125 /nfs/dbraw/zinc/47/51/25/896475125.db2.gz CESFDPPMYJQCSW-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484798420 896611263 /nfs/dbraw/zinc/61/12/63/896611263.db2.gz WYZRFFLLESOYLN-KBPBESRZSA-N 1 2 294.395 0.520 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001397221795 914101380 /nfs/dbraw/zinc/10/13/80/914101380.db2.gz ASNKRBSCNMKSDV-FBIMIBRVSA-N 1 2 289.339 0.184 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H]1C ZINC001397230957 914106623 /nfs/dbraw/zinc/10/66/23/914106623.db2.gz VKFHLAANIIICPT-PWSUYJOCSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H]1C ZINC001397230957 914106635 /nfs/dbraw/zinc/10/66/35/914106635.db2.gz VKFHLAANIIICPT-PWSUYJOCSA-N 1 2 299.802 0.844 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001077730229 897359069 /nfs/dbraw/zinc/35/90/69/897359069.db2.gz RUSHUJFLNSODSL-KBUPBQIOSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001077730229 897359077 /nfs/dbraw/zinc/35/90/77/897359077.db2.gz RUSHUJFLNSODSL-KBUPBQIOSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn1CC ZINC001032378854 897370927 /nfs/dbraw/zinc/37/09/27/897370927.db2.gz YAMKIIBXAAQFBD-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn1CC ZINC001032378854 897370942 /nfs/dbraw/zinc/37/09/42/897370942.db2.gz YAMKIIBXAAQFBD-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107890596 897443881 /nfs/dbraw/zinc/44/38/81/897443881.db2.gz QQMLEKBWTFJCMJ-HNNXBMFYSA-N 1 2 280.368 0.726 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107890596 897443893 /nfs/dbraw/zinc/44/38/93/897443893.db2.gz QQMLEKBWTFJCMJ-HNNXBMFYSA-N 1 2 280.368 0.726 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2ccccc2n1 ZINC001032478842 897627430 /nfs/dbraw/zinc/62/74/30/897627430.db2.gz SCCSIZHMIDWFBO-GJZGRUSLSA-N 1 2 294.358 0.795 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2ccccc2n1 ZINC001032478842 897627438 /nfs/dbraw/zinc/62/74/38/897627438.db2.gz SCCSIZHMIDWFBO-GJZGRUSLSA-N 1 2 294.358 0.795 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc[nH]c1=O ZINC001032582225 897775436 /nfs/dbraw/zinc/77/54/36/897775436.db2.gz SWELZOLGVLKMNU-QWRGUYRKSA-N 1 2 272.308 0.023 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc[nH]c1=O ZINC001032582225 897775446 /nfs/dbraw/zinc/77/54/46/897775446.db2.gz SWELZOLGVLKMNU-QWRGUYRKSA-N 1 2 272.308 0.023 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001032620332 897836987 /nfs/dbraw/zinc/83/69/87/897836987.db2.gz BPEREGVMFLCUPU-AVGNSLFASA-N 1 2 284.363 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001032620332 897836993 /nfs/dbraw/zinc/83/69/93/897836993.db2.gz BPEREGVMFLCUPU-AVGNSLFASA-N 1 2 284.363 0.748 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)[nH]1 ZINC001032632285 897848446 /nfs/dbraw/zinc/84/84/46/897848446.db2.gz UNVPDDUFQXZBAI-QWRGUYRKSA-N 1 2 286.335 0.036 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)[nH]1 ZINC001032632285 897848461 /nfs/dbraw/zinc/84/84/61/897848461.db2.gz UNVPDDUFQXZBAI-QWRGUYRKSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001032654951 897899635 /nfs/dbraw/zinc/89/96/35/897899635.db2.gz NGVKUKQNYWTNEM-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001032654951 897899647 /nfs/dbraw/zinc/89/96/47/897899647.db2.gz NGVKUKQNYWTNEM-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nn1 ZINC001032715435 897962892 /nfs/dbraw/zinc/96/28/92/897962892.db2.gz BJAIRGPTHAGGSV-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nn1 ZINC001032715435 897962901 /nfs/dbraw/zinc/96/29/01/897962901.db2.gz BJAIRGPTHAGGSV-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001272842955 898066383 /nfs/dbraw/zinc/06/63/83/898066383.db2.gz MOTLVVVDHVURAZ-CYBMUJFWSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001272842955 898066390 /nfs/dbraw/zinc/06/63/90/898066390.db2.gz MOTLVVVDHVURAZ-CYBMUJFWSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001272842957 898069061 /nfs/dbraw/zinc/06/90/61/898069061.db2.gz MOTLVVVDHVURAZ-ZDUSSCGKSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001272842957 898069070 /nfs/dbraw/zinc/06/90/70/898069070.db2.gz MOTLVVVDHVURAZ-ZDUSSCGKSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2COC)C1 ZINC001078000569 898172188 /nfs/dbraw/zinc/17/21/88/898172188.db2.gz FJBVRQFPRQTZJE-VXGBXAGGSA-N 1 2 296.392 0.855 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2COC)C1 ZINC001078000569 898172195 /nfs/dbraw/zinc/17/21/95/898172195.db2.gz FJBVRQFPRQTZJE-VXGBXAGGSA-N 1 2 296.392 0.855 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc[nH]1 ZINC001272918488 898172458 /nfs/dbraw/zinc/17/24/58/898172458.db2.gz LLYGSSBAFMLELF-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc[nH]1 ZINC001272918488 898172465 /nfs/dbraw/zinc/17/24/65/898172465.db2.gz LLYGSSBAFMLELF-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)NC(=O)[C@@H](C)C#N ZINC001397485058 914228652 /nfs/dbraw/zinc/22/86/52/914228652.db2.gz JVOMHCOXNOGDQF-VHSXEESVSA-N 1 2 299.334 0.957 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001043117006 898214851 /nfs/dbraw/zinc/21/48/51/898214851.db2.gz CCNMVILBGBERBE-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001078103342 898239474 /nfs/dbraw/zinc/23/94/74/898239474.db2.gz BZPPEYWYJRCIKU-HUUCEWRRSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001078103342 898239489 /nfs/dbraw/zinc/23/94/89/898239489.db2.gz BZPPEYWYJRCIKU-HUUCEWRRSA-N 1 2 285.347 0.367 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001078134867 898258293 /nfs/dbraw/zinc/25/82/93/898258293.db2.gz KWQNZHYBSFZYNS-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001078134867 898258299 /nfs/dbraw/zinc/25/82/99/898258299.db2.gz KWQNZHYBSFZYNS-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078222931 898303955 /nfs/dbraw/zinc/30/39/55/898303955.db2.gz WYEKEZFEWFSEOY-VXGBXAGGSA-N 1 2 278.377 0.719 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078222931 898303972 /nfs/dbraw/zinc/30/39/72/898303972.db2.gz WYEKEZFEWFSEOY-VXGBXAGGSA-N 1 2 278.377 0.719 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486278957 898739154 /nfs/dbraw/zinc/73/91/54/898739154.db2.gz PKOVBCAIRCBWKC-YUMQZZPRSA-N 1 2 272.242 0.482 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486278957 898739162 /nfs/dbraw/zinc/73/91/62/898739162.db2.gz PKOVBCAIRCBWKC-YUMQZZPRSA-N 1 2 272.242 0.482 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001397589693 914288417 /nfs/dbraw/zinc/28/84/17/914288417.db2.gz UQGAYIOBIAFPRN-RYUDHWBXSA-N 1 2 291.355 0.444 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001494357945 899085564 /nfs/dbraw/zinc/08/55/64/899085564.db2.gz BVPHMKMEXNNOFS-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001489242380 900459793 /nfs/dbraw/zinc/45/97/93/900459793.db2.gz MHFVWRLJISRYIT-NEPJUHHUSA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001489242380 900459796 /nfs/dbraw/zinc/45/97/96/900459796.db2.gz MHFVWRLJISRYIT-NEPJUHHUSA-N 1 2 291.351 0.774 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001490436504 900632033 /nfs/dbraw/zinc/63/20/33/900632033.db2.gz IPSSLGSTCNFQAJ-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001490436504 900632039 /nfs/dbraw/zinc/63/20/39/900632039.db2.gz IPSSLGSTCNFQAJ-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC2CC2)CC1 ZINC001490478957 900633460 /nfs/dbraw/zinc/63/34/60/900633460.db2.gz SUVUOCRYWBBKOE-UHFFFAOYSA-N 1 2 250.346 0.044 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OCC)CCO2 ZINC001327308256 914473707 /nfs/dbraw/zinc/47/37/07/914473707.db2.gz LLBAMJRDENKZEH-CYBMUJFWSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CC=C)CCO1 ZINC001319297097 900876738 /nfs/dbraw/zinc/87/67/38/900876738.db2.gz LDXBAQCLFIBPSX-ZIAGYGMSSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C)CCO1 ZINC001319297097 900876744 /nfs/dbraw/zinc/87/67/44/900876744.db2.gz LDXBAQCLFIBPSX-ZIAGYGMSSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCCC[NH+]1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 ZINC001327336568 914485996 /nfs/dbraw/zinc/48/59/96/914485996.db2.gz XSUSEFZFYGUYOG-UHFFFAOYSA-N 1 2 291.355 0.298 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)CCC)C[C@@]2(F)C1=O ZINC001274632121 900936018 /nfs/dbraw/zinc/93/60/18/900936018.db2.gz ZDGMCBBJXBHTSK-FPMFFAJLSA-N 1 2 286.322 0.355 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)CCC)C[C@@]2(F)C1=O ZINC001274632121 900936029 /nfs/dbraw/zinc/93/60/29/900936029.db2.gz ZDGMCBBJXBHTSK-FPMFFAJLSA-N 1 2 286.322 0.355 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2nc(C)no2)c1 ZINC001275302959 901020834 /nfs/dbraw/zinc/02/08/34/901020834.db2.gz CKDTYVHHDTZLMY-JTQLQIEISA-N 1 2 299.334 0.662 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001308133943 903242456 /nfs/dbraw/zinc/24/24/56/903242456.db2.gz FGCNVUBKPUSFSU-OUJBWJOFSA-N 1 2 293.375 0.304 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491205900 903447061 /nfs/dbraw/zinc/44/70/61/903447061.db2.gz VRDHNXNDQKUDNL-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491205900 903447075 /nfs/dbraw/zinc/44/70/75/903447075.db2.gz VRDHNXNDQKUDNL-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)nn1 ZINC001327828655 914790057 /nfs/dbraw/zinc/79/00/57/914790057.db2.gz BQWXFHNUXPEQRS-YPMHNXCESA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)nn1 ZINC001327828655 914790072 /nfs/dbraw/zinc/79/00/72/914790072.db2.gz BQWXFHNUXPEQRS-YPMHNXCESA-N 1 2 266.345 0.029 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCOC(C)C)CC2)C1 ZINC001281567738 904305912 /nfs/dbraw/zinc/30/59/12/904305912.db2.gz PLMJIVUVACHGDN-UHFFFAOYSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)CC(C)C ZINC001282410968 904469281 /nfs/dbraw/zinc/46/92/81/904469281.db2.gz GVAGCEZKOMJNDG-LBPRGKRZSA-N 1 2 288.413 0.127 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)CC(C)C ZINC001282410968 904469290 /nfs/dbraw/zinc/46/92/90/904469290.db2.gz GVAGCEZKOMJNDG-LBPRGKRZSA-N 1 2 288.413 0.127 20 30 CCEDLO C#CCCCC(=O)NC1(CCO)C[NH+]([C@H](C)COC)C1 ZINC001282510902 904498852 /nfs/dbraw/zinc/49/88/52/904498852.db2.gz IUXMJHIYEJKRLF-CYBMUJFWSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H](C)SC)C1 ZINC001282514519 904499284 /nfs/dbraw/zinc/49/92/84/904499284.db2.gz QBBGHEJUSWKLCY-LBPRGKRZSA-N 1 2 284.425 0.704 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283876420 905072091 /nfs/dbraw/zinc/07/20/91/905072091.db2.gz PSDPNXFOROUCGO-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001378069772 905400838 /nfs/dbraw/zinc/40/08/38/905400838.db2.gz TTZFAYUEQMWPSD-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001378069772 905400840 /nfs/dbraw/zinc/40/08/40/905400840.db2.gz TTZFAYUEQMWPSD-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001285852578 905784061 /nfs/dbraw/zinc/78/40/61/905784061.db2.gz XLHNJTVXXUQTSB-LBPRGKRZSA-N 1 2 288.351 0.473 20 30 CCEDLO C=CCCC(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001285946212 905818606 /nfs/dbraw/zinc/81/86/06/905818606.db2.gz KTYKUEZOXSOZNT-UHFFFAOYSA-N 1 2 290.367 0.992 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001290006575 906103140 /nfs/dbraw/zinc/10/31/40/906103140.db2.gz NNGZIWZQPVTDQO-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001293640480 906501237 /nfs/dbraw/zinc/50/12/37/906501237.db2.gz JPTWAKFPTDALJQ-ZDUSSCGKSA-N 1 2 290.367 0.978 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296253164 906885579 /nfs/dbraw/zinc/88/55/79/906885579.db2.gz JBESBACDSKVUTM-VXGBXAGGSA-N 1 2 292.383 0.985 20 30 CCEDLO C=CCCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001297226079 907040935 /nfs/dbraw/zinc/04/09/35/907040935.db2.gz UYVNCZPDWODACM-UHFFFAOYSA-N 1 2 276.340 0.424 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H](C)[NH2+]Cc2nc(C)no2)c1 ZINC001491579745 907416334 /nfs/dbraw/zinc/41/63/34/907416334.db2.gz UKXMWWJMBXSGJH-JTQLQIEISA-N 1 2 299.334 0.662 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H](C)C#N ZINC001382188798 907605947 /nfs/dbraw/zinc/60/59/47/907605947.db2.gz JLDSMZQIQFRBCI-VHSXEESVSA-N 1 2 277.328 0.075 20 30 CCEDLO Cc1nccnc1C[N@@H+](C)CCNC(=O)C#CC(C)C ZINC001492244861 907795212 /nfs/dbraw/zinc/79/52/12/907795212.db2.gz KMUCEVXZWRBZRL-UHFFFAOYSA-N 1 2 274.368 0.992 20 30 CCEDLO Cc1nccnc1C[N@H+](C)CCNC(=O)C#CC(C)C ZINC001492244861 907795216 /nfs/dbraw/zinc/79/52/16/907795216.db2.gz KMUCEVXZWRBZRL-UHFFFAOYSA-N 1 2 274.368 0.992 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(OC)no1 ZINC001492251611 907805377 /nfs/dbraw/zinc/80/53/77/907805377.db2.gz RZMWFVQCTJLQFT-NSHDSACASA-N 1 2 295.339 0.270 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(OC)no1 ZINC001492251611 907805387 /nfs/dbraw/zinc/80/53/87/907805387.db2.gz RZMWFVQCTJLQFT-NSHDSACASA-N 1 2 295.339 0.270 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@@H+]1CC(=O)NCC#N ZINC001316775732 908715965 /nfs/dbraw/zinc/71/59/65/908715965.db2.gz HKCLHGQKFZGXEJ-PWSUYJOCSA-N 1 2 290.323 0.112 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@H+]1CC(=O)NCC#N ZINC001316775732 908715973 /nfs/dbraw/zinc/71/59/73/908715973.db2.gz HKCLHGQKFZGXEJ-PWSUYJOCSA-N 1 2 290.323 0.112 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C2CC(F)(F)C2)CC1 ZINC001316964279 908876411 /nfs/dbraw/zinc/87/64/11/908876411.db2.gz QIMINYAKUOSKMA-UHFFFAOYSA-N 1 2 285.338 0.399 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001317241221 909078207 /nfs/dbraw/zinc/07/82/07/909078207.db2.gz LAXLLHPIDWQRMZ-GHMZBOCLSA-N 1 2 294.355 0.573 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)C#CC2CC2)n1 ZINC001317239488 909078821 /nfs/dbraw/zinc/07/88/21/909078821.db2.gz RPUQPYBMRDDCPZ-VIFPVBQESA-N 1 2 262.313 0.386 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1CC2(CCC2)C1 ZINC001317457654 909230918 /nfs/dbraw/zinc/23/09/18/909230918.db2.gz WYUODOQSWZIVSS-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC2(CCC2)C1 ZINC001317457654 909230932 /nfs/dbraw/zinc/23/09/32/909230932.db2.gz WYUODOQSWZIVSS-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO Cn1nncc1C[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001317553000 909326138 /nfs/dbraw/zinc/32/61/38/909326138.db2.gz PEGRTVQEQSYCLR-UHFFFAOYSA-N 1 2 287.367 0.309 20 30 CCEDLO Cn1nncc1C[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001317553000 909326146 /nfs/dbraw/zinc/32/61/46/909326146.db2.gz PEGRTVQEQSYCLR-UHFFFAOYSA-N 1 2 287.367 0.309 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cc[nH+]c1 ZINC001388176789 909402752 /nfs/dbraw/zinc/40/27/52/909402752.db2.gz UBRBDJIWRPRBOY-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H](C)OC)CC1 ZINC001317817049 909510031 /nfs/dbraw/zinc/51/00/31/909510031.db2.gz UOCLJMUTKUWATJ-CQSZACIVSA-N 1 2 283.416 0.673 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317926098 909540696 /nfs/dbraw/zinc/54/06/96/909540696.db2.gz BCJIYIIOJXQLFQ-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317926098 909540705 /nfs/dbraw/zinc/54/07/05/909540705.db2.gz BCJIYIIOJXQLFQ-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001318070747 909606225 /nfs/dbraw/zinc/60/62/25/909606225.db2.gz GDOXXGHCRKGIKF-QWHCGFSZSA-N 1 2 282.384 0.805 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318208760 909662755 /nfs/dbraw/zinc/66/27/55/909662755.db2.gz AHFLQIPEGUHEQB-STQMWFEESA-N 1 2 268.332 0.671 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001318208760 909662762 /nfs/dbraw/zinc/66/27/62/909662762.db2.gz AHFLQIPEGUHEQB-STQMWFEESA-N 1 2 268.332 0.671 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318282123 909688146 /nfs/dbraw/zinc/68/81/46/909688146.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 1 2 299.418 0.985 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318282123 909688169 /nfs/dbraw/zinc/68/81/69/909688169.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 1 2 299.418 0.985 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001318311923 909702225 /nfs/dbraw/zinc/70/22/25/909702225.db2.gz GXYXGWOCINTPOC-UONOGXRCSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001318311923 909702232 /nfs/dbraw/zinc/70/22/32/909702232.db2.gz GXYXGWOCINTPOC-UONOGXRCSA-N 1 2 291.395 0.835 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001389702848 910036875 /nfs/dbraw/zinc/03/68/75/910036875.db2.gz UFWRICUFIGBIHD-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001389702848 910036889 /nfs/dbraw/zinc/03/68/89/910036889.db2.gz UFWRICUFIGBIHD-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C=C)C1 ZINC001319304493 910088122 /nfs/dbraw/zinc/08/81/22/910088122.db2.gz ICEWWGUYHSONRN-GXTWGEPZSA-N 1 2 268.357 0.317 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C=C)C1 ZINC001319304493 910088138 /nfs/dbraw/zinc/08/81/38/910088138.db2.gz ICEWWGUYHSONRN-GXTWGEPZSA-N 1 2 268.357 0.317 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCC(N)=O)C1 ZINC001391519017 911190208 /nfs/dbraw/zinc/19/02/08/911190208.db2.gz YMHQQHIDYOJMNF-UHFFFAOYSA-N 1 2 273.764 0.443 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC001391663914 911306001 /nfs/dbraw/zinc/30/60/01/911306001.db2.gz BNGZAQKETGOECU-ZJUUUORDSA-N 1 2 294.359 0.280 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCC#N ZINC001321857024 911533043 /nfs/dbraw/zinc/53/30/43/911533043.db2.gz ODEDAWVWKHSXDF-LLVKDONJSA-N 1 2 277.328 0.198 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2nc(C)no2)cn1 ZINC001322049354 911631871 /nfs/dbraw/zinc/63/18/71/911631871.db2.gz BEJVCYQFQJJVGT-JTQLQIEISA-N 1 2 299.334 0.662 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001392281263 911695537 /nfs/dbraw/zinc/69/55/37/911695537.db2.gz KJRTYDFUSYZENF-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001392281263 911695551 /nfs/dbraw/zinc/69/55/51/911695551.db2.gz KJRTYDFUSYZENF-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC)CC1 ZINC001339487997 921735001 /nfs/dbraw/zinc/73/50/01/921735001.db2.gz AWLTULBVUGDTDF-OLZOCXBDSA-N 1 2 284.367 0.680 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC001399441867 915178901 /nfs/dbraw/zinc/17/89/01/915178901.db2.gz XLLIUYPPYPHWAE-GFCCVEGCSA-N 1 2 296.415 0.746 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC001399441867 915178911 /nfs/dbraw/zinc/17/89/11/915178911.db2.gz XLLIUYPPYPHWAE-GFCCVEGCSA-N 1 2 296.415 0.746 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CN(C(C)=O)C1 ZINC001399698907 915335776 /nfs/dbraw/zinc/33/57/76/915335776.db2.gz LGJICJIUIULJAH-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CN(C(C)=O)C1 ZINC001399698907 915335791 /nfs/dbraw/zinc/33/57/91/915335791.db2.gz LGJICJIUIULJAH-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001400935716 915992588 /nfs/dbraw/zinc/99/25/88/915992588.db2.gz MIIRDIBQDLTEAH-HZMBPMFUSA-N 1 2 289.339 0.219 20 30 CCEDLO CCCC[C@@H](CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001329902554 916267101 /nfs/dbraw/zinc/26/71/01/916267101.db2.gz WOWDXWGTLBZLRG-LBPRGKRZSA-N 1 2 263.345 0.671 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)Cn2cncc2C)C1 ZINC001330014864 916359600 /nfs/dbraw/zinc/35/96/00/916359600.db2.gz ZFFSZQWKJWPIJK-GFCCVEGCSA-N 1 2 260.341 0.261 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001330184571 916460942 /nfs/dbraw/zinc/46/09/42/916460942.db2.gz OLOIPEUGRMGNBM-VIFPVBQESA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(N)=O)C(C)(C)C1 ZINC001330184571 916460955 /nfs/dbraw/zinc/46/09/55/916460955.db2.gz OLOIPEUGRMGNBM-VIFPVBQESA-N 1 2 273.764 0.441 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001401735725 916535265 /nfs/dbraw/zinc/53/52/65/916535265.db2.gz PCHPFNOEOMBQOD-WDEREUQCSA-N 1 2 292.387 0.703 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001401735725 916535279 /nfs/dbraw/zinc/53/52/79/916535279.db2.gz PCHPFNOEOMBQOD-WDEREUQCSA-N 1 2 292.387 0.703 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001331629195 917462161 /nfs/dbraw/zinc/46/21/61/917462161.db2.gz OWLLJDJMNJDZEH-CYBMUJFWSA-N 1 2 291.395 0.718 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001331772503 917594018 /nfs/dbraw/zinc/59/40/18/917594018.db2.gz OPBLWPYPNOCGRA-SNVBAGLBSA-N 1 2 283.397 0.922 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cnon1)CC2 ZINC001403795305 918010904 /nfs/dbraw/zinc/01/09/04/918010904.db2.gz QVFJRRKZOLTXPS-OSMZGAPFSA-N 1 2 289.339 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cnon1)CC2 ZINC001403795305 918010919 /nfs/dbraw/zinc/01/09/19/918010919.db2.gz QVFJRRKZOLTXPS-OSMZGAPFSA-N 1 2 289.339 0.842 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001404989063 918551065 /nfs/dbraw/zinc/55/10/65/918551065.db2.gz QOYWEXGGXVQEQB-YPMHNXCESA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)cn1 ZINC001404989063 918551079 /nfs/dbraw/zinc/55/10/79/918551079.db2.gz QOYWEXGGXVQEQB-YPMHNXCESA-N 1 2 288.351 0.940 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001406094325 919047445 /nfs/dbraw/zinc/04/74/45/919047445.db2.gz FNACHATVBKSRJZ-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001406094325 919047458 /nfs/dbraw/zinc/04/74/58/919047458.db2.gz FNACHATVBKSRJZ-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO C[C@H](C[NH2+]Cc1cnsn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001406347219 919200605 /nfs/dbraw/zinc/20/06/05/919200605.db2.gz QXLBOOSTJPZULT-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406652364 919411506 /nfs/dbraw/zinc/41/15/06/919411506.db2.gz LYSPGOVPUIYTNW-UWVGGRQHSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406652364 919411516 /nfs/dbraw/zinc/41/15/16/919411516.db2.gz LYSPGOVPUIYTNW-UWVGGRQHSA-N 1 2 288.779 0.199 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001406902822 919527800 /nfs/dbraw/zinc/52/78/00/919527800.db2.gz BRCCFZMZGGTASL-LLVKDONJSA-N 1 2 290.371 0.757 20 30 CCEDLO C=CCOCC(=O)N(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001334368264 919528957 /nfs/dbraw/zinc/52/89/57/919528957.db2.gz DTFQPVJXZRVBEZ-GFCCVEGCSA-N 1 2 294.355 0.049 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001414204050 920255772 /nfs/dbraw/zinc/25/57/72/920255772.db2.gz BVSZADTUBQMPQI-UTUOFQBUSA-N 1 2 289.339 0.054 20 30 CCEDLO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1ccccc1C#N ZINC001418242852 921957391 /nfs/dbraw/zinc/95/73/91/921957391.db2.gz LHFNEFSDBPNPLN-JTQLQIEISA-N 1 2 284.323 0.584 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001418463424 922151727 /nfs/dbraw/zinc/15/17/27/922151727.db2.gz RPYFBVSXDMDMKJ-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001418463424 922151733 /nfs/dbraw/zinc/15/17/33/922151733.db2.gz RPYFBVSXDMDMKJ-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001418547170 922248810 /nfs/dbraw/zinc/24/88/10/922248810.db2.gz DPCDLPISKZATFE-UHFFFAOYSA-N 1 2 284.747 0.986 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001418547170 922248827 /nfs/dbraw/zinc/24/88/27/922248827.db2.gz DPCDLPISKZATFE-UHFFFAOYSA-N 1 2 284.747 0.986 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001418569489 922262787 /nfs/dbraw/zinc/26/27/87/922262787.db2.gz ZDOMFKILCKEXPJ-UHFFFAOYSA-N 1 2 284.747 0.574 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001418569489 922262800 /nfs/dbraw/zinc/26/28/00/922262800.db2.gz ZDOMFKILCKEXPJ-UHFFFAOYSA-N 1 2 284.747 0.574 20 30 CCEDLO N#C[C@@]1(C(=O)N2CCc3cc[nH+]c(N)c3C2)CCCOC1 ZINC001418838229 922448780 /nfs/dbraw/zinc/44/87/80/922448780.db2.gz PYLMZGBPZZTNJG-HNNXBMFYSA-N 1 2 286.335 0.869 20 30 CCEDLO Cc1cc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)ncn1 ZINC001419011464 922571745 /nfs/dbraw/zinc/57/17/45/922571745.db2.gz UDDLFBRVBPGZJH-JTQLQIEISA-N 1 2 273.340 0.493 20 30 CCEDLO C=CCN(c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001341721242 922644194 /nfs/dbraw/zinc/64/41/94/922644194.db2.gz YNOFMRSOAKZESC-NWDGAFQWSA-N 1 2 277.372 0.707 20 30 CCEDLO C=CCN(c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001341721242 922644206 /nfs/dbraw/zinc/64/42/06/922644206.db2.gz YNOFMRSOAKZESC-NWDGAFQWSA-N 1 2 277.372 0.707 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001420509207 923728147 /nfs/dbraw/zinc/72/81/47/923728147.db2.gz VFJOFCIUSRZSAV-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001420509207 923728155 /nfs/dbraw/zinc/72/81/55/923728155.db2.gz VFJOFCIUSRZSAV-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO CC(C)(C)[C@H]([NH3+])C(=O)NCCNC(O)=C1N=CC=CC1=O ZINC001346048059 924056683 /nfs/dbraw/zinc/05/66/83/924056683.db2.gz YRFRLQTUKLICRT-JPQYHBGPSA-N 1 2 294.355 0.002 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001421127766 924168545 /nfs/dbraw/zinc/16/85/45/924168545.db2.gz PDXDFIPTKPXQOB-LBPRGKRZSA-N 1 2 288.775 0.592 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001346766907 924307571 /nfs/dbraw/zinc/30/75/71/924307571.db2.gz MWXIMHJRSZNSON-HIFRSBDPSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001346766907 924307584 /nfs/dbraw/zinc/30/75/84/924307584.db2.gz MWXIMHJRSZNSON-HIFRSBDPSA-N 1 2 292.427 0.676 20 30 CCEDLO C#C[C@H](CC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001348793792 924805054 /nfs/dbraw/zinc/80/50/54/924805054.db2.gz OCZNWAAJGOLUOW-CHWSQXEVSA-N 1 2 266.389 0.333 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC001349649173 925012430 /nfs/dbraw/zinc/01/24/30/925012430.db2.gz SHDLLDONTJTKNB-SFHVURJKSA-N 1 2 269.414 0.676 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(CO)(CO)CC1 ZINC001349710663 925030189 /nfs/dbraw/zinc/03/01/89/925030189.db2.gz VDKPHIHRECQBII-LBPRGKRZSA-N 1 2 251.330 0.497 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349867453 925081316 /nfs/dbraw/zinc/08/13/16/925081316.db2.gz MSASLXFFCHRWOM-KBPBESRZSA-N 1 2 298.431 0.249 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349867455 925081485 /nfs/dbraw/zinc/08/14/85/925081485.db2.gz MSASLXFFCHRWOM-UONOGXRCSA-N 1 2 298.431 0.249 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001355325966 926240909 /nfs/dbraw/zinc/24/09/09/926240909.db2.gz OPEPGKIJBSZNTB-JTQLQIEISA-N 1 2 258.329 0.597 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422585445 927390117 /nfs/dbraw/zinc/39/01/17/927390117.db2.gz JRWLKTZMBYBMBN-UWVGGRQHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422585445 927390128 /nfs/dbraw/zinc/39/01/28/927390128.db2.gz JRWLKTZMBYBMBN-UWVGGRQHSA-N 1 2 273.764 0.454 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC001426184674 928784339 /nfs/dbraw/zinc/78/43/39/928784339.db2.gz MZVOUBKRGLUWAC-GHMZBOCLSA-N 1 2 291.355 0.946 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001426350988 928820548 /nfs/dbraw/zinc/82/05/48/928820548.db2.gz DWHMJUWMXKYSID-VXGBXAGGSA-N 1 2 291.355 0.396 20 30 CCEDLO CC(C)[C@@H]([NH2+]C[C@H](O)CC#N)c1nc(-c2nc[nH]n2)no1 ZINC001363800716 929588973 /nfs/dbraw/zinc/58/89/73/929588973.db2.gz MCCOJRFJBPOBEX-RKDXNWHRSA-N 1 2 291.315 0.416 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001443569697 929650124 /nfs/dbraw/zinc/65/01/24/929650124.db2.gz KPDLMGVJEMTNEL-SNVBAGLBSA-N 1 2 276.315 0.928 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001373315423 930136077 /nfs/dbraw/zinc/13/60/77/930136077.db2.gz QPCIQEBFQTZNCQ-VHSXEESVSA-N 1 2 291.355 0.431 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001446531890 930429438 /nfs/dbraw/zinc/42/94/38/930429438.db2.gz UCIITDJJYCYPBE-CABZTGNLSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001446531890 930429434 /nfs/dbraw/zinc/42/94/34/930429434.db2.gz UCIITDJJYCYPBE-CABZTGNLSA-N 1 2 288.779 0.376 20 30 CCEDLO N#CCCCCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446602204 930445777 /nfs/dbraw/zinc/44/57/77/930445777.db2.gz DICYMYSEVPDXQI-CYBMUJFWSA-N 1 2 293.367 0.966 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001375213162 930819551 /nfs/dbraw/zinc/81/95/51/930819551.db2.gz HJVWCWAXDAWMES-KCJUWKMLSA-N 1 2 279.369 0.682 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376147676 931070248 /nfs/dbraw/zinc/07/02/48/931070248.db2.gz NTVAQAGSRNAIAA-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376147676 931070258 /nfs/dbraw/zinc/07/02/58/931070258.db2.gz NTVAQAGSRNAIAA-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](C)CNC(=O)C1=NC(=O)N(C)C1 ZINC001376796598 931278283 /nfs/dbraw/zinc/27/82/83/931278283.db2.gz CIKZEJKHLPYTFF-MRVPVSSYSA-N 1 2 272.736 0.586 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001377170780 931416479 /nfs/dbraw/zinc/41/64/79/931416479.db2.gz DXGPVXPMRYIENB-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001377170780 931416481 /nfs/dbraw/zinc/41/64/81/931416481.db2.gz DXGPVXPMRYIENB-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000407972739 260136105 /nfs/dbraw/zinc/13/61/05/260136105.db2.gz HDGAKXVRVCFELE-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000407972739 260136106 /nfs/dbraw/zinc/13/61/06/260136106.db2.gz HDGAKXVRVCFELE-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000599693376 361789704 /nfs/dbraw/zinc/78/97/04/361789704.db2.gz OUTBJBLTLWMDLA-FZMZJTMJSA-N 1 2 299.371 0.124 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599693376 361789708 /nfs/dbraw/zinc/78/97/08/361789708.db2.gz OUTBJBLTLWMDLA-FZMZJTMJSA-N 1 2 299.371 0.124 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000599713868 361796068 /nfs/dbraw/zinc/79/60/68/361796068.db2.gz OOOBMIZTJCGWPY-NSHDSACASA-N 1 2 292.339 0.940 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000599713868 361796073 /nfs/dbraw/zinc/79/60/73/361796073.db2.gz OOOBMIZTJCGWPY-NSHDSACASA-N 1 2 292.339 0.940 20 30 CCEDLO C=C(C)C[N@@H+](CC)Cc1nc(N)nc(N(C)C)n1 ZINC000096992602 185148665 /nfs/dbraw/zinc/14/86/65/185148665.db2.gz LBUKBUKVZNWVDN-UHFFFAOYSA-N 1 2 250.350 0.918 20 30 CCEDLO C=C(C)C[N@H+](CC)Cc1nc(N)nc(N(C)C)n1 ZINC000096992602 185148666 /nfs/dbraw/zinc/14/86/66/185148666.db2.gz LBUKBUKVZNWVDN-UHFFFAOYSA-N 1 2 250.350 0.918 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000600425199 361958555 /nfs/dbraw/zinc/95/85/55/361958555.db2.gz MZWYVZBKSCNKCH-ZDUSSCGKSA-N 1 2 259.309 0.619 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000600425199 361958558 /nfs/dbraw/zinc/95/85/58/361958558.db2.gz MZWYVZBKSCNKCH-ZDUSSCGKSA-N 1 2 259.309 0.619 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554889 349664537 /nfs/dbraw/zinc/66/45/37/349664537.db2.gz FARAETUTIPFADL-NSHDSACASA-N 1 2 258.325 0.554 20 30 CCEDLO CC[C@@H](CNS(C)(=O)=O)Nc1cc(C)[nH+]cc1C#N ZINC000425269359 529491651 /nfs/dbraw/zinc/49/16/51/529491651.db2.gz QWMSCLDTLXBQBJ-NSHDSACASA-N 1 2 282.369 0.423 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CSC1 ZINC000601023344 362132992 /nfs/dbraw/zinc/13/29/92/362132992.db2.gz DQOXEPBSNOASEF-UHFFFAOYSA-N 1 2 283.397 0.424 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000295045301 199317902 /nfs/dbraw/zinc/31/79/02/199317902.db2.gz SIEOASPSAZBTTR-NEPJUHHUSA-N 1 2 295.408 0.660 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329127997 529780577 /nfs/dbraw/zinc/78/05/77/529780577.db2.gz NFSAHPVENHLJJH-GFCCVEGCSA-N 1 2 283.372 0.138 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC3(C2)CCOCC3)C1 ZINC000330202592 529787868 /nfs/dbraw/zinc/78/78/68/529787868.db2.gz ZNDUWVCDFWSNRO-GFCCVEGCSA-N 1 2 283.372 0.343 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CC3(C2)CCOCC3)C1 ZINC000330202592 529787869 /nfs/dbraw/zinc/78/78/69/529787869.db2.gz ZNDUWVCDFWSNRO-GFCCVEGCSA-N 1 2 283.372 0.343 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)CCCC#N ZINC000601471015 362283728 /nfs/dbraw/zinc/28/37/28/362283728.db2.gz RQELOMBZTXAZPI-UHFFFAOYSA-N 1 2 256.331 0.626 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1(CC#N)CC1 ZINC000601533121 362302837 /nfs/dbraw/zinc/30/28/37/362302837.db2.gz XTDXBRWPYBGMCW-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000118392155 349901527 /nfs/dbraw/zinc/90/15/27/349901527.db2.gz VZXHPWCMHVWVOI-NSHDSACASA-N 1 2 294.380 0.440 20 30 CCEDLO COCCOC1C[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000601960960 362438752 /nfs/dbraw/zinc/43/87/52/362438752.db2.gz YGLFPHYFCZEROO-CYBMUJFWSA-N 1 2 298.383 0.405 20 30 CCEDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1=O ZINC000602022107 362460895 /nfs/dbraw/zinc/46/08/95/362460895.db2.gz WKAFNCLJOQOYFA-GFCCVEGCSA-N 1 2 275.283 0.934 20 30 CCEDLO CN1C(=O)CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329429561 530042858 /nfs/dbraw/zinc/04/28/58/530042858.db2.gz HXIYWPQCHULDEJ-NSHDSACASA-N 1 2 283.372 0.675 20 30 CCEDLO CN1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1=O ZINC000330106348 530054184 /nfs/dbraw/zinc/05/41/84/530054184.db2.gz KTVZKBGACMRQNC-SNVBAGLBSA-N 1 2 250.302 0.851 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000602335734 362590653 /nfs/dbraw/zinc/59/06/53/362590653.db2.gz NAHWLNRZNYXCBA-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000602335734 362590656 /nfs/dbraw/zinc/59/06/56/362590656.db2.gz NAHWLNRZNYXCBA-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc(C#N)n3)CCN2C1=O ZINC000602484549 362639889 /nfs/dbraw/zinc/63/98/89/362639889.db2.gz NHUNGBMYHCSDNG-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)CCN2C1=O ZINC000602484549 362639894 /nfs/dbraw/zinc/63/98/94/362639894.db2.gz NHUNGBMYHCSDNG-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)s1)[C@H](C)C(N)=O ZINC000119934834 349961856 /nfs/dbraw/zinc/96/18/56/349961856.db2.gz MBTOTKVCAZEWHO-SECBINFHSA-N 1 2 267.354 0.942 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)C(N)=O ZINC000119934834 349961857 /nfs/dbraw/zinc/96/18/57/349961857.db2.gz MBTOTKVCAZEWHO-SECBINFHSA-N 1 2 267.354 0.942 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC000602688249 362749801 /nfs/dbraw/zinc/74/98/01/362749801.db2.gz PWISPROYCBSZDK-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC000602688249 362749805 /nfs/dbraw/zinc/74/98/05/362749805.db2.gz PWISPROYCBSZDK-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)[nH]c1C ZINC000602694731 362753361 /nfs/dbraw/zinc/75/33/61/362753361.db2.gz BSXDNVDOZZOYGA-AWEZNQCLSA-N 1 2 277.324 0.960 20 30 CCEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)[nH]c1C ZINC000602694731 362753367 /nfs/dbraw/zinc/75/33/67/362753367.db2.gz BSXDNVDOZZOYGA-AWEZNQCLSA-N 1 2 277.324 0.960 20 30 CCEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602760709 362787509 /nfs/dbraw/zinc/78/75/09/362787509.db2.gz ZYEHXAGFSQNEJU-CYBMUJFWSA-N 1 2 290.411 0.965 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602760709 362787512 /nfs/dbraw/zinc/78/75/12/362787512.db2.gz ZYEHXAGFSQNEJU-CYBMUJFWSA-N 1 2 290.411 0.965 20 30 CCEDLO CCCn1nccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602851413 362839120 /nfs/dbraw/zinc/83/91/20/362839120.db2.gz JUPWZNCACBTTRD-CQSZACIVSA-N 1 2 291.355 0.582 20 30 CCEDLO CCCn1nccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000602851413 362839126 /nfs/dbraw/zinc/83/91/26/362839126.db2.gz JUPWZNCACBTTRD-CQSZACIVSA-N 1 2 291.355 0.582 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860785 362845960 /nfs/dbraw/zinc/84/59/60/362845960.db2.gz HXZKCGVKJRXEIZ-PSASIEDQSA-N 1 2 279.296 0.405 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860785 362845965 /nfs/dbraw/zinc/84/59/65/362845965.db2.gz HXZKCGVKJRXEIZ-PSASIEDQSA-N 1 2 279.296 0.405 20 30 CCEDLO N#Cc1nc(N)n(Cc2cn3ccccc3[nH+]2)c1C#N ZINC000193057244 136943155 /nfs/dbraw/zinc/94/31/55/136943155.db2.gz JREJNGABYZCRNQ-UHFFFAOYSA-N 1 2 263.264 0.905 20 30 CCEDLO Cc1nc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000194622788 136947459 /nfs/dbraw/zinc/94/74/59/136947459.db2.gz PIFDBVRRHJYSQX-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000194622788 136947460 /nfs/dbraw/zinc/94/74/60/136947460.db2.gz PIFDBVRRHJYSQX-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1nsc(N2CC[N@H+](CCO)[C@@H](C)C2)c1C#N ZINC000343024228 137110380 /nfs/dbraw/zinc/11/03/80/137110380.db2.gz DKVBTYRNUFFCIP-VIFPVBQESA-N 1 2 266.370 0.826 20 30 CCEDLO Cc1nsc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1C#N ZINC000343024228 137110381 /nfs/dbraw/zinc/11/03/81/137110381.db2.gz DKVBTYRNUFFCIP-VIFPVBQESA-N 1 2 266.370 0.826 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007591305 348008208 /nfs/dbraw/zinc/00/82/08/348008208.db2.gz PNJAYZJAPWJVKX-OAHLLOKOSA-N 1 2 296.415 0.841 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007591305 348008210 /nfs/dbraw/zinc/00/82/10/348008210.db2.gz PNJAYZJAPWJVKX-OAHLLOKOSA-N 1 2 296.415 0.841 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000349063090 137385721 /nfs/dbraw/zinc/38/57/21/137385721.db2.gz YNDOWHYMWPZBSY-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000056510928 348592024 /nfs/dbraw/zinc/59/20/24/348592024.db2.gz SFVHBNAGYCLLEU-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000056510928 348592026 /nfs/dbraw/zinc/59/20/26/348592026.db2.gz SFVHBNAGYCLLEU-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO COc1ccccc1C[N@H+](CCO)CC(=O)NCC#N ZINC000066500831 348746619 /nfs/dbraw/zinc/74/66/19/348746619.db2.gz UXWVMLLTELHNJK-UHFFFAOYSA-N 1 2 277.324 0.129 20 30 CCEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)NCC#N ZINC000066500831 348746620 /nfs/dbraw/zinc/74/66/20/348746620.db2.gz UXWVMLLTELHNJK-UHFFFAOYSA-N 1 2 277.324 0.129 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1 ZINC000074917024 349013488 /nfs/dbraw/zinc/01/34/88/349013488.db2.gz XGTKHLMCYOFUGL-UHFFFAOYSA-N 1 2 273.336 0.962 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](CCC(F)(F)F)CC1 ZINC000077281213 349105522 /nfs/dbraw/zinc/10/55/22/349105522.db2.gz WNMVSZDIHBVPHB-UHFFFAOYSA-N 1 2 277.290 0.306 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(CCOC)ns2)CC1 ZINC000089592882 349395873 /nfs/dbraw/zinc/39/58/73/349395873.db2.gz CODQLYVSKKXBDB-UHFFFAOYSA-N 1 2 266.370 0.482 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCCC#N)[C@H]1C[N@H+](C)CCO1 ZINC000125998865 350135958 /nfs/dbraw/zinc/13/59/58/350135958.db2.gz SHGDPCZOKNXANX-NWDGAFQWSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCCC#N)[C@H]1C[N@@H+](C)CCO1 ZINC000125998865 350135961 /nfs/dbraw/zinc/13/59/61/350135961.db2.gz SHGDPCZOKNXANX-NWDGAFQWSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H](C(=O)N[C@@]1(C#N)CCSC1)[NH+]1CCSCC1 ZINC000131637568 350281116 /nfs/dbraw/zinc/28/11/16/350281116.db2.gz WUZPUXUYAPMEQP-ZYHUDNBSSA-N 1 2 285.438 0.939 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000150988917 350488643 /nfs/dbraw/zinc/48/86/43/350488643.db2.gz CYLVVZBQNKHWOF-UHFFFAOYSA-N 1 2 283.328 0.633 20 30 CCEDLO Cc1cc(NC(=O)NCCc2cn(C)c[nH+]2)ncc1C#N ZINC000603136783 362972609 /nfs/dbraw/zinc/97/26/09/362972609.db2.gz OGTRCUWTNZKNDX-UHFFFAOYSA-N 1 2 284.323 0.781 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC)o2)nn1 ZINC000603172020 362982430 /nfs/dbraw/zinc/98/24/30/362982430.db2.gz IPLZYLCLOJVMAR-UHFFFAOYSA-N 1 2 288.307 0.819 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000169017357 350834615 /nfs/dbraw/zinc/83/46/15/350834615.db2.gz JMUNNIOKORXDSM-GXTWGEPZSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000169017357 350834618 /nfs/dbraw/zinc/83/46/18/350834618.db2.gz JMUNNIOKORXDSM-GXTWGEPZSA-N 1 2 290.319 0.545 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000169090249 350836278 /nfs/dbraw/zinc/83/62/78/350836278.db2.gz JNFHNXMBIJSHML-UHFFFAOYSA-N 1 2 291.336 0.507 20 30 CCEDLO N#Cc1ccc(OCCn2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000603177172 362985598 /nfs/dbraw/zinc/98/55/98/362985598.db2.gz MUQOTRBDCMROAJ-OAHLLOKOSA-N 1 2 299.334 0.890 20 30 CCEDLO N#Cc1cc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)ccc1F ZINC000603198956 362995748 /nfs/dbraw/zinc/99/57/48/362995748.db2.gz HXUWXVCRLMSQLL-AWEZNQCLSA-N 1 2 287.298 0.998 20 30 CCEDLO N#Cc1ncn(Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000175242919 351123475 /nfs/dbraw/zinc/12/34/75/351123475.db2.gz BVTIXKWIBYHPCZ-UHFFFAOYSA-N 1 2 251.253 0.779 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(=O)OC)n2)nn1 ZINC000603222846 363007922 /nfs/dbraw/zinc/00/79/22/363007922.db2.gz OSXHENQAQHKGDU-UHFFFAOYSA-N 1 2 299.334 0.621 20 30 CCEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1C#N ZINC000174686692 351098442 /nfs/dbraw/zinc/09/84/42/351098442.db2.gz DQKYMWRRIOEHDG-UHFFFAOYSA-N 1 2 286.335 0.579 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000175594110 351135939 /nfs/dbraw/zinc/13/59/39/351135939.db2.gz ZOMXYKRTHOOXQQ-NSHDSACASA-N 1 2 275.356 0.252 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000182480834 351364305 /nfs/dbraw/zinc/36/43/05/351364305.db2.gz CTVSHWYZBSNAHU-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000182480834 351364311 /nfs/dbraw/zinc/36/43/11/351364311.db2.gz CTVSHWYZBSNAHU-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603271465 363038613 /nfs/dbraw/zinc/03/86/13/363038613.db2.gz HHZNMOQSIOAKHS-SNVBAGLBSA-N 1 2 256.331 0.304 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186720451 351508765 /nfs/dbraw/zinc/50/87/65/351508765.db2.gz ZHPOPYWLSUOGTE-HNNXBMFYSA-N 1 2 278.352 0.969 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186720451 351508769 /nfs/dbraw/zinc/50/87/69/351508769.db2.gz ZHPOPYWLSUOGTE-HNNXBMFYSA-N 1 2 278.352 0.969 20 30 CCEDLO C#C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185970899 351468247 /nfs/dbraw/zinc/46/82/47/351468247.db2.gz ATRPJCANFPZLCW-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO N#C[C@@]1(F)CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603316601 363063062 /nfs/dbraw/zinc/06/30/62/363063062.db2.gz FHCIRGNBCDDPIT-JTQLQIEISA-N 1 2 272.305 0.150 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2cc[nH+]cc2O)cc1 ZINC000353791641 137546160 /nfs/dbraw/zinc/54/61/60/137546160.db2.gz RLOZEMALHBYQAN-UHFFFAOYSA-N 1 2 296.286 0.449 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189371321 351673001 /nfs/dbraw/zinc/67/30/01/351673001.db2.gz NEXQKOFWCSFHKD-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189371321 351673004 /nfs/dbraw/zinc/67/30/04/351673004.db2.gz NEXQKOFWCSFHKD-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C(N)=O)O1 ZINC000122962342 187062943 /nfs/dbraw/zinc/06/29/43/187062943.db2.gz LARKFBKNBLVBDC-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C(N)=O)O1 ZINC000122962342 187062944 /nfs/dbraw/zinc/06/29/44/187062944.db2.gz LARKFBKNBLVBDC-NOZJJQNGSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000123849062 187111724 /nfs/dbraw/zinc/11/17/24/187111724.db2.gz LORYNPDQZDFNHT-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000234328963 352156910 /nfs/dbraw/zinc/15/69/10/352156910.db2.gz MPBLCPANZYFEDC-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000234328963 352156912 /nfs/dbraw/zinc/15/69/12/352156912.db2.gz MPBLCPANZYFEDC-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C=CC[N@@H+](CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000265325528 352631669 /nfs/dbraw/zinc/63/16/69/352631669.db2.gz LKEQEGRPCQBXBC-NSHDSACASA-N 1 2 275.370 0.615 20 30 CCEDLO C=CC[N@H+](CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000265325528 352631672 /nfs/dbraw/zinc/63/16/72/352631672.db2.gz LKEQEGRPCQBXBC-NSHDSACASA-N 1 2 275.370 0.615 20 30 CCEDLO C=CC[N@@H+](CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000265325526 352631918 /nfs/dbraw/zinc/63/19/18/352631918.db2.gz LKEQEGRPCQBXBC-LLVKDONJSA-N 1 2 275.370 0.615 20 30 CCEDLO C=CC[N@H+](CCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000265325526 352631921 /nfs/dbraw/zinc/63/19/21/352631921.db2.gz LKEQEGRPCQBXBC-LLVKDONJSA-N 1 2 275.370 0.615 20 30 CCEDLO Cc1nnc(NC[C@@H]2C[NH+]3CCN2CC3)c(C#N)c1C ZINC000269504222 352833269 /nfs/dbraw/zinc/83/32/69/352833269.db2.gz QSQBHBDEFKFRMV-GFCCVEGCSA-N 1 2 272.356 0.377 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270499370 352940120 /nfs/dbraw/zinc/94/01/20/352940120.db2.gz PHYUSSOQAWSSLO-JQWIXIFHSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270499370 352940122 /nfs/dbraw/zinc/94/01/22/352940122.db2.gz PHYUSSOQAWSSLO-JQWIXIFHSA-N 1 2 295.339 0.591 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C(C)(C)C1 ZINC000271071712 353019539 /nfs/dbraw/zinc/01/95/39/353019539.db2.gz VXXOXAVWMWVVOO-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C(C)(C)C1 ZINC000271071712 353019541 /nfs/dbraw/zinc/01/95/41/353019541.db2.gz VXXOXAVWMWVVOO-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000274456969 353131441 /nfs/dbraw/zinc/13/14/41/353131441.db2.gz ZQMRHLDLRFIYGH-LBPRGKRZSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000274456969 353131443 /nfs/dbraw/zinc/13/14/43/353131443.db2.gz ZQMRHLDLRFIYGH-LBPRGKRZSA-N 1 2 267.373 0.527 20 30 CCEDLO C#CCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000277113324 353224605 /nfs/dbraw/zinc/22/46/05/353224605.db2.gz QYICTLGHYAGJMV-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277479811 353245510 /nfs/dbraw/zinc/24/55/10/353245510.db2.gz NYKVJGXOMRXPRC-YJYMSZOUSA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277479811 353245513 /nfs/dbraw/zinc/24/55/13/353245513.db2.gz NYKVJGXOMRXPRC-YJYMSZOUSA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277479808 353245855 /nfs/dbraw/zinc/24/58/55/353245855.db2.gz NYKVJGXOMRXPRC-ORAYPTAESA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277479808 353245857 /nfs/dbraw/zinc/24/58/57/353245857.db2.gz NYKVJGXOMRXPRC-ORAYPTAESA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277379305 353240300 /nfs/dbraw/zinc/24/03/00/353240300.db2.gz HQBILLILYUOOBC-PSVSLLHZSA-N 1 2 258.387 0.378 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277379305 353240302 /nfs/dbraw/zinc/24/03/02/353240302.db2.gz HQBILLILYUOOBC-PSVSLLHZSA-N 1 2 258.387 0.378 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)o1 ZINC000287200501 353631497 /nfs/dbraw/zinc/63/14/97/353631497.db2.gz DXPRNKPZURJCHH-UHFFFAOYSA-N 1 2 281.337 0.691 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)o1 ZINC000287200501 353631500 /nfs/dbraw/zinc/63/15/00/353631500.db2.gz DXPRNKPZURJCHH-UHFFFAOYSA-N 1 2 281.337 0.691 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290286954 353719255 /nfs/dbraw/zinc/71/92/55/353719255.db2.gz MOGVTQSVARESLL-UHFFFAOYSA-N 1 2 265.338 0.821 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290286954 353719258 /nfs/dbraw/zinc/71/92/58/353719258.db2.gz MOGVTQSVARESLL-UHFFFAOYSA-N 1 2 265.338 0.821 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOCC3)C[C@@H]21 ZINC000329606743 283000102 /nfs/dbraw/zinc/00/01/02/283000102.db2.gz MQCVIWIQYDWUMJ-RWMBFGLXSA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOCC3)C[C@@H]21 ZINC000329606743 283000104 /nfs/dbraw/zinc/00/01/04/283000104.db2.gz MQCVIWIQYDWUMJ-RWMBFGLXSA-N 1 2 283.372 0.484 20 30 CCEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(CO)CC2)c1 ZINC000313642385 354217565 /nfs/dbraw/zinc/21/75/65/354217565.db2.gz RGKRPYSUDMCATP-UHFFFAOYSA-N 1 2 289.335 0.316 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000125878467 283010572 /nfs/dbraw/zinc/01/05/72/283010572.db2.gz WHNVHPDPJLKRSV-NWDGAFQWSA-N 1 2 260.297 0.041 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000125878467 283010577 /nfs/dbraw/zinc/01/05/77/283010577.db2.gz WHNVHPDPJLKRSV-NWDGAFQWSA-N 1 2 260.297 0.041 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000340222979 355529439 /nfs/dbraw/zinc/52/94/39/355529439.db2.gz QHDYULCEFBNLRV-GFCCVEGCSA-N 1 2 259.309 0.887 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222979 355529440 /nfs/dbraw/zinc/52/94/40/355529440.db2.gz QHDYULCEFBNLRV-GFCCVEGCSA-N 1 2 259.309 0.887 20 30 CCEDLO Cc1cc(NCC2(CO)CCOCC2)c(C#N)c[nH+]1 ZINC000425236387 235275699 /nfs/dbraw/zinc/27/56/99/235275699.db2.gz JYAPCLANBSUFFY-UHFFFAOYSA-N 1 2 261.325 0.885 20 30 CCEDLO C[C@H]1C[NH+](CCN(C)C(=O)CSCC#N)C[C@H](C)O1 ZINC000345375586 355809199 /nfs/dbraw/zinc/80/91/99/355809199.db2.gz DXQJPKMDSQIPEM-RYUDHWBXSA-N 1 2 285.413 0.811 20 30 CCEDLO Cn1ncc(C(=O)NCCCn2cc[nH+]c2)c1C#N ZINC000353354106 356208288 /nfs/dbraw/zinc/20/82/88/356208288.db2.gz YZDIMFMCWDQCLA-UHFFFAOYSA-N 1 2 258.285 0.308 20 30 CCEDLO Cc1onc(CC(=O)NCCCn2cc[nH+]c2)c1C#N ZINC000353882618 356309411 /nfs/dbraw/zinc/30/94/11/356309411.db2.gz RWFFMKZENYJEDU-UHFFFAOYSA-N 1 2 273.296 0.800 20 30 CCEDLO CCCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000608887842 363467397 /nfs/dbraw/zinc/46/73/97/363467397.db2.gz VFKNOMQZCYHEGJ-UHFFFAOYSA-N 1 2 252.362 0.434 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000619621049 366303580 /nfs/dbraw/zinc/30/35/80/366303580.db2.gz PJCKSMXICPZGQD-ZDUSSCGKSA-N 1 2 262.357 0.305 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000619700091 366324133 /nfs/dbraw/zinc/32/41/33/366324133.db2.gz WTVDXDDTHIZVNY-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO C=C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)C(=O)OC ZINC000619703393 366327914 /nfs/dbraw/zinc/32/79/14/366327914.db2.gz LIQHMEIQLIFIKB-LLVKDONJSA-N 1 2 275.370 0.519 20 30 CCEDLO Cc1c[nH]nc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000619669170 366316922 /nfs/dbraw/zinc/31/69/22/366316922.db2.gz OJXNIGNRFRPXNP-UHFFFAOYSA-N 1 2 291.355 0.406 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000619720090 366341281 /nfs/dbraw/zinc/34/12/81/366341281.db2.gz ZUEWIXCIKDMTFT-RYUDHWBXSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000619720090 366341288 /nfs/dbraw/zinc/34/12/88/366341288.db2.gz ZUEWIXCIKDMTFT-RYUDHWBXSA-N 1 2 264.329 0.718 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000619713008 366331439 /nfs/dbraw/zinc/33/14/39/366331439.db2.gz KXNVYUPEYRONSX-UHFFFAOYSA-N 1 2 297.384 0.488 20 30 CCEDLO N#Cc1cccc(N2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000359474204 356828392 /nfs/dbraw/zinc/82/83/92/356828392.db2.gz GLSFKENFTONPRU-GFCCVEGCSA-N 1 2 281.275 0.949 20 30 CCEDLO C[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(C#N)c1 ZINC000359903046 356916920 /nfs/dbraw/zinc/91/69/20/356916920.db2.gz RUBLKKKUKIAFSJ-CYBMUJFWSA-N 1 2 287.363 0.798 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359958601 356928325 /nfs/dbraw/zinc/92/83/25/356928325.db2.gz LBDROLQZMADRDA-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000359958601 356928330 /nfs/dbraw/zinc/92/83/30/356928330.db2.gz LBDROLQZMADRDA-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000373957169 357393576 /nfs/dbraw/zinc/39/35/76/357393576.db2.gz HSWOGHRITCTDKQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000373957169 357393580 /nfs/dbraw/zinc/39/35/80/357393580.db2.gz HSWOGHRITCTDKQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO CC(C)(C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000394543101 357756522 /nfs/dbraw/zinc/75/65/22/357756522.db2.gz BZVWLTYMUGPOLU-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1cc(N[C@H]2CCCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000400199469 357790291 /nfs/dbraw/zinc/79/02/91/357790291.db2.gz NSGKEGLRRLTUCG-LBPRGKRZSA-N 1 2 294.380 0.520 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000451231467 236145316 /nfs/dbraw/zinc/14/53/16/236145316.db2.gz CWNIFHJWCOVBTI-NSHDSACASA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000451231467 236145318 /nfs/dbraw/zinc/14/53/18/236145318.db2.gz CWNIFHJWCOVBTI-NSHDSACASA-N 1 2 250.273 0.890 20 30 CCEDLO Cc1cc(C[NH+]2CCN(S(N)(=O)=O)CC2)ccc1C#N ZINC000408359069 358050761 /nfs/dbraw/zinc/05/07/61/358050761.db2.gz KEROMMOAXVCVBG-UHFFFAOYSA-N 1 2 294.380 0.188 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408442836 358096949 /nfs/dbraw/zinc/09/69/49/358096949.db2.gz NHRYCMVPFJXIOH-RYUDHWBXSA-N 1 2 252.701 0.749 20 30 CCEDLO CSc1[nH]c(=O)c(C(=O)NCC[NH+]2CCC2)cc1C#N ZINC000533570162 358544028 /nfs/dbraw/zinc/54/40/28/358544028.db2.gz MCSCFBPFJZVYKH-UHFFFAOYSA-N 1 2 292.364 0.816 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(c3cc(C#N)ncn3)C2)CC1 ZINC000571005006 358902678 /nfs/dbraw/zinc/90/26/78/358902678.db2.gz LQHDYCXQEVGWKG-AWEZNQCLSA-N 1 2 286.383 0.564 20 30 CCEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCF)c1=O ZINC000582339070 359136392 /nfs/dbraw/zinc/13/63/92/359136392.db2.gz MLALHMUZUFMFBA-UHFFFAOYSA-N 1 2 279.315 0.912 20 30 CCEDLO CCC[C@@H](O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000611005637 363648553 /nfs/dbraw/zinc/64/85/53/363648553.db2.gz JSONTFVFPDSTCX-CQSZACIVSA-N 1 2 297.399 0.612 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(C#N)n1 ZINC000589375561 359379763 /nfs/dbraw/zinc/37/97/63/359379763.db2.gz HIPNELJLGKSWPC-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000590153599 359426528 /nfs/dbraw/zinc/42/65/28/359426528.db2.gz KCVWEAPVHGCDCA-UHFFFAOYSA-N 1 2 280.372 0.750 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CC2(C#N)CC2)CCO1 ZINC000590201723 359430361 /nfs/dbraw/zinc/43/03/61/359430361.db2.gz NEMKTVJEURDJOB-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CC2(C#N)CC2)CCO1 ZINC000590201723 359430363 /nfs/dbraw/zinc/43/03/63/359430363.db2.gz NEMKTVJEURDJOB-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000590889439 359535663 /nfs/dbraw/zinc/53/56/63/359535663.db2.gz CSZGHBNNXXVXES-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000590889439 359535670 /nfs/dbraw/zinc/53/56/70/359535670.db2.gz CSZGHBNNXXVXES-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO CC1(C(N)=O)C[NH+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000563069672 291187775 /nfs/dbraw/zinc/18/77/75/291187775.db2.gz XXJUWBABOGHXPW-UHFFFAOYSA-N 1 2 272.308 0.304 20 30 CCEDLO Cc1cc(NCCC2CS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000591823946 359662877 /nfs/dbraw/zinc/66/28/77/359662877.db2.gz KAYMBPHXTIVRJI-UHFFFAOYSA-N 1 2 265.338 0.530 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151397 359770703 /nfs/dbraw/zinc/77/07/03/359770703.db2.gz OEHRHZDSRJNGFO-CYBMUJFWSA-N 1 2 264.329 0.099 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151397 359770704 /nfs/dbraw/zinc/77/07/04/359770704.db2.gz OEHRHZDSRJNGFO-CYBMUJFWSA-N 1 2 264.329 0.099 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148306 359767018 /nfs/dbraw/zinc/76/70/18/359767018.db2.gz UBCOYGFCQBRGIX-WCQYABFASA-N 1 2 253.346 0.498 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148306 359767021 /nfs/dbraw/zinc/76/70/21/359767021.db2.gz UBCOYGFCQBRGIX-WCQYABFASA-N 1 2 253.346 0.498 20 30 CCEDLO CCCCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148539 359767237 /nfs/dbraw/zinc/76/72/37/359767237.db2.gz WJHAHBYYFQLSTL-ZDUSSCGKSA-N 1 2 253.346 0.643 20 30 CCEDLO CCCCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148539 359767241 /nfs/dbraw/zinc/76/72/41/359767241.db2.gz WJHAHBYYFQLSTL-ZDUSSCGKSA-N 1 2 253.346 0.643 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000592148760 359767513 /nfs/dbraw/zinc/76/75/13/359767513.db2.gz BKLITOAFSQIDPT-AWEZNQCLSA-N 1 2 294.355 0.105 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000592148760 359767516 /nfs/dbraw/zinc/76/75/16/359767516.db2.gz BKLITOAFSQIDPT-AWEZNQCLSA-N 1 2 294.355 0.105 20 30 CCEDLO COc1ccnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1OC ZINC000592150117 359769199 /nfs/dbraw/zinc/76/91/99/359769199.db2.gz BCKCDJJXPOWZLH-AWEZNQCLSA-N 1 2 277.324 0.949 20 30 CCEDLO COc1ccnc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1OC ZINC000592150117 359769205 /nfs/dbraw/zinc/76/92/05/359769205.db2.gz BCKCDJJXPOWZLH-AWEZNQCLSA-N 1 2 277.324 0.949 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592946591 359991632 /nfs/dbraw/zinc/99/16/32/359991632.db2.gz PWYCRVFKMAAOHS-GFCCVEGCSA-N 1 2 276.340 0.834 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(C(F)F)n1 ZINC000593154876 360048834 /nfs/dbraw/zinc/04/88/34/360048834.db2.gz OESOAMMWHPCZMQ-NSHDSACASA-N 1 2 271.271 0.852 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000593493658 360098530 /nfs/dbraw/zinc/09/85/30/360098530.db2.gz IGPKVYPPAAYXKD-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000593530957 360108194 /nfs/dbraw/zinc/10/81/94/360108194.db2.gz PQAVPOPYNXPEIW-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO Cc1nnc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)[nH]1 ZINC000593967854 360223788 /nfs/dbraw/zinc/22/37/88/360223788.db2.gz GCJOCAZUUZWHHB-UHFFFAOYSA-N 1 2 297.366 0.698 20 30 CCEDLO C[N@H+](CCO)Cc1cn(-c2ccc(C#N)cc2)nn1 ZINC000594650642 360349177 /nfs/dbraw/zinc/34/91/77/360349177.db2.gz BBRXPXFNXLKONX-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(-c2ccc(C#N)cc2)nn1 ZINC000594650642 360349182 /nfs/dbraw/zinc/34/91/82/360349182.db2.gz BBRXPXFNXLKONX-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO N#Cc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000594651204 360350444 /nfs/dbraw/zinc/35/04/44/360350444.db2.gz GQLTWRBOKBKDPE-ZDUSSCGKSA-N 1 2 255.281 0.800 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000595291343 360484420 /nfs/dbraw/zinc/48/44/20/360484420.db2.gz QWMKHENCFXCGEA-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616260 360599421 /nfs/dbraw/zinc/59/94/21/360599421.db2.gz AHUZHHLMCAUTMT-IAQYHMDHSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616260 360599428 /nfs/dbraw/zinc/59/94/28/360599428.db2.gz AHUZHHLMCAUTMT-IAQYHMDHSA-N 1 2 295.383 0.888 20 30 CCEDLO C[N@H+](C[C@H]1COCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736952 360633903 /nfs/dbraw/zinc/63/39/03/360633903.db2.gz ODJAFSARIJGKEK-UONOGXRCSA-N 1 2 289.335 0.432 20 30 CCEDLO C[N@@H+](C[C@H]1COCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736952 360633907 /nfs/dbraw/zinc/63/39/07/360633907.db2.gz ODJAFSARIJGKEK-UONOGXRCSA-N 1 2 289.335 0.432 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COCCO1 ZINC000595737259 360634264 /nfs/dbraw/zinc/63/42/64/360634264.db2.gz HPCNEVBULTZYSN-LLVKDONJSA-N 1 2 295.364 0.905 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COCCO1 ZINC000595737259 360634268 /nfs/dbraw/zinc/63/42/68/360634268.db2.gz HPCNEVBULTZYSN-LLVKDONJSA-N 1 2 295.364 0.905 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1COCCO1 ZINC000595737261 360634467 /nfs/dbraw/zinc/63/44/67/360634467.db2.gz HPCNEVBULTZYSN-NSHDSACASA-N 1 2 295.364 0.905 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H]1COCCO1 ZINC000595737261 360634472 /nfs/dbraw/zinc/63/44/72/360634472.db2.gz HPCNEVBULTZYSN-NSHDSACASA-N 1 2 295.364 0.905 20 30 CCEDLO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C#N ZINC000595813482 360665552 /nfs/dbraw/zinc/66/55/52/360665552.db2.gz NEGCOKLJHDVQCE-MWLCHTKSSA-N 1 2 267.289 0.386 20 30 CCEDLO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C#N ZINC000595813482 360665557 /nfs/dbraw/zinc/66/55/57/360665557.db2.gz NEGCOKLJHDVQCE-MWLCHTKSSA-N 1 2 267.289 0.386 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833042 360671529 /nfs/dbraw/zinc/67/15/29/360671529.db2.gz FEVOYZIOSWRCMU-DOMZBBRYSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833042 360671534 /nfs/dbraw/zinc/67/15/34/360671534.db2.gz FEVOYZIOSWRCMU-DOMZBBRYSA-N 1 2 292.383 0.301 20 30 CCEDLO Cc1cc(N[C@@H](CO)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000596277029 360865012 /nfs/dbraw/zinc/86/50/12/360865012.db2.gz FEHYOPKUDFRIKZ-CYBMUJFWSA-N 1 2 271.324 0.433 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596548661 360918985 /nfs/dbraw/zinc/91/89/85/360918985.db2.gz AKIVVDVHFHOJNC-VXGBXAGGSA-N 1 2 266.345 0.262 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)CC1(C#N)CCOCC1 ZINC000597086787 361006297 /nfs/dbraw/zinc/00/62/97/361006297.db2.gz ACUHEYIRYNSDLV-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000597571034 361141823 /nfs/dbraw/zinc/14/18/23/361141823.db2.gz IXGYVCAUNYOIDI-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)CO)[nH+]c12 ZINC000597748182 361232953 /nfs/dbraw/zinc/23/29/53/361232953.db2.gz WWEBXSQUFOIIEJ-NSHDSACASA-N 1 2 258.281 0.186 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844805 361265362 /nfs/dbraw/zinc/26/53/62/361265362.db2.gz CHZBXJRWOOGHAE-VHSXEESVSA-N 1 2 264.329 0.756 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)n2)[C@@H](C)CO1 ZINC000597997621 361304844 /nfs/dbraw/zinc/30/48/44/361304844.db2.gz SYKVFIODUDNINN-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)n2)[C@@H](C)CO1 ZINC000597997621 361304848 /nfs/dbraw/zinc/30/48/48/361304848.db2.gz SYKVFIODUDNINN-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@@H](C)CO1 ZINC000598001346 361307595 /nfs/dbraw/zinc/30/75/95/361307595.db2.gz ZKZRNORMLHNENR-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@@H](C)CO1 ZINC000598001346 361307598 /nfs/dbraw/zinc/30/75/98/361307598.db2.gz ZKZRNORMLHNENR-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO COC(=O)[C@@H](C1CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611668395 363755788 /nfs/dbraw/zinc/75/57/88/363755788.db2.gz IZYBHUBXFFLXJI-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO CO[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000598837244 361523113 /nfs/dbraw/zinc/52/31/13/361523113.db2.gz UMMMUPHHZZIMOC-LOWVWBTDSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401595 361685944 /nfs/dbraw/zinc/68/59/44/361685944.db2.gz XPXANUXDJWVYBF-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401595 361685947 /nfs/dbraw/zinc/68/59/47/361685947.db2.gz XPXANUXDJWVYBF-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000612163121 363858822 /nfs/dbraw/zinc/85/88/22/363858822.db2.gz ODAIZMTURDLCAL-CYBMUJFWSA-N 1 2 251.330 0.471 20 30 CCEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000612163121 363858825 /nfs/dbraw/zinc/85/88/25/363858825.db2.gz ODAIZMTURDLCAL-CYBMUJFWSA-N 1 2 251.330 0.471 20 30 CCEDLO Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)nc1C#N ZINC000615698931 365056487 /nfs/dbraw/zinc/05/64/87/365056487.db2.gz HOVVQVVMOZLCQJ-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)nc1C#N ZINC000615698931 365056494 /nfs/dbraw/zinc/05/64/94/365056494.db2.gz HOVVQVVMOZLCQJ-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000615824059 365096143 /nfs/dbraw/zinc/09/61/43/365096143.db2.gz AMOVNDONIHOBQH-GXFFZTMASA-N 1 2 262.288 0.910 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295956 367520782 /nfs/dbraw/zinc/52/07/82/367520782.db2.gz YNCJQMLZPZVIAZ-UHFFFAOYSA-N 1 2 289.383 0.672 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295956 367520783 /nfs/dbraw/zinc/52/07/83/367520783.db2.gz YNCJQMLZPZVIAZ-UHFFFAOYSA-N 1 2 289.383 0.672 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC000623297483 367522386 /nfs/dbraw/zinc/52/23/86/367522386.db2.gz FXDFZPBIURWEQL-JTQLQIEISA-N 1 2 272.312 0.405 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623768874 367653982 /nfs/dbraw/zinc/65/39/82/367653982.db2.gz CEHMUKAUWMLLIB-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623768874 367653987 /nfs/dbraw/zinc/65/39/87/367653987.db2.gz CEHMUKAUWMLLIB-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)C)C1=O ZINC000625388033 368176694 /nfs/dbraw/zinc/17/66/94/368176694.db2.gz ACEYWZQAAAYYPI-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C1=O ZINC000625388033 368176705 /nfs/dbraw/zinc/17/67/05/368176705.db2.gz ACEYWZQAAAYYPI-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCCS(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606751 368267785 /nfs/dbraw/zinc/26/77/85/368267785.db2.gz WVYMQEDQZBDDDV-UHFFFAOYSA-N 1 2 288.413 0.689 20 30 CCEDLO Cc1onc(CC(=O)NC[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000330732077 203164980 /nfs/dbraw/zinc/16/49/80/203164980.db2.gz JNOUYWFMZMWONZ-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO N#Cc1nc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)[nH]c1C#N ZINC000567350442 291476226 /nfs/dbraw/zinc/47/62/26/291476226.db2.gz HVQGBDKNPAIBKC-KRTXAFLBSA-N 1 2 256.269 0.091 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000574404745 335017079 /nfs/dbraw/zinc/01/70/79/335017079.db2.gz SEBCKBDXBFGTGN-KGYLQXTDSA-N 1 2 251.330 0.373 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634509136 372066752 /nfs/dbraw/zinc/06/67/52/372066752.db2.gz YXGXIUUMJCASRI-HNNXBMFYSA-N 1 2 290.367 0.100 20 30 CCEDLO C=CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637266203 374059785 /nfs/dbraw/zinc/05/97/85/374059785.db2.gz ILMIRIYPSZJUJV-OAHLLOKOSA-N 1 2 297.399 0.478 20 30 CCEDLO C=CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637266203 374059792 /nfs/dbraw/zinc/05/97/92/374059792.db2.gz ILMIRIYPSZJUJV-OAHLLOKOSA-N 1 2 297.399 0.478 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639687157 375917512 /nfs/dbraw/zinc/91/75/12/375917512.db2.gz CPFWXZNTWTUHKR-OUAUKWLOSA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639687157 375917517 /nfs/dbraw/zinc/91/75/17/375917517.db2.gz CPFWXZNTWTUHKR-OUAUKWLOSA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)nn1 ZINC000640006971 376185178 /nfs/dbraw/zinc/18/51/78/376185178.db2.gz WROASMUDPZIFKJ-UONOGXRCSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)nn1 ZINC000640006971 376185184 /nfs/dbraw/zinc/18/51/84/376185184.db2.gz WROASMUDPZIFKJ-UONOGXRCSA-N 1 2 280.372 0.826 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639912492 376126203 /nfs/dbraw/zinc/12/62/03/376126203.db2.gz NURQOXCFUPEJLS-CYBMUJFWSA-N 1 2 263.341 0.918 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639912492 376126209 /nfs/dbraw/zinc/12/62/09/376126209.db2.gz NURQOXCFUPEJLS-CYBMUJFWSA-N 1 2 263.341 0.918 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CC2(O)CCC2)nn1 ZINC000641230725 376929350 /nfs/dbraw/zinc/92/93/50/376929350.db2.gz SLLWNQPXZLFXIM-ZDUSSCGKSA-N 1 2 278.356 0.057 20 30 CCEDLO C=CCOCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641610150 377312117 /nfs/dbraw/zinc/31/21/17/377312117.db2.gz OPDNHISYZOTJJF-UHFFFAOYSA-N 1 2 273.358 0.395 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccccn2)c1C#N ZINC000516151157 249152471 /nfs/dbraw/zinc/15/24/71/249152471.db2.gz LWVYWVQVFTZWRS-UHFFFAOYSA-N 1 2 284.323 0.503 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000278498428 194012822 /nfs/dbraw/zinc/01/28/22/194012822.db2.gz CJLCVSPJQQRMBW-UHFFFAOYSA-N 1 2 287.323 0.056 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000278945764 194223699 /nfs/dbraw/zinc/22/36/99/194223699.db2.gz MNTBXFLBXIBYIV-CQSZACIVSA-N 1 2 258.321 0.615 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000278945764 194223702 /nfs/dbraw/zinc/22/37/02/194223702.db2.gz MNTBXFLBXIBYIV-CQSZACIVSA-N 1 2 258.321 0.615 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)nn1 ZINC000657400744 412980468 /nfs/dbraw/zinc/98/04/68/412980468.db2.gz VIGRFXCRQZFDAL-LBPRGKRZSA-N 1 2 284.385 0.521 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2ncncc2C#N)C1 ZINC000400750369 260002322 /nfs/dbraw/zinc/00/23/22/260002322.db2.gz CKVHBTWNCIKOFK-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2ncncc2C#N)C1 ZINC000400750369 260002323 /nfs/dbraw/zinc/00/23/23/260002323.db2.gz CKVHBTWNCIKOFK-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000285829164 388802827 /nfs/dbraw/zinc/80/28/27/388802827.db2.gz VWNMZLXGQGTHKT-UHFFFAOYSA-N 1 2 272.348 0.981 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000285829164 388802831 /nfs/dbraw/zinc/80/28/31/388802831.db2.gz VWNMZLXGQGTHKT-UHFFFAOYSA-N 1 2 272.348 0.981 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000185592486 388810592 /nfs/dbraw/zinc/81/05/92/388810592.db2.gz HLPDPYQCBJSHDI-LLVKDONJSA-N 1 2 294.380 0.440 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000287540569 388853988 /nfs/dbraw/zinc/85/39/88/388853988.db2.gz NQDHBNZBABONFX-UHFFFAOYSA-N 1 2 286.331 0.742 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289748878 388888845 /nfs/dbraw/zinc/88/88/45/388888845.db2.gz FHANSRLTNNHRJM-ZYHUDNBSSA-N 1 2 280.759 0.921 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289748878 388888848 /nfs/dbraw/zinc/88/88/48/388888848.db2.gz FHANSRLTNNHRJM-ZYHUDNBSSA-N 1 2 280.759 0.921 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907446 388934481 /nfs/dbraw/zinc/93/44/81/388934481.db2.gz IXTJXLVGDKDFBI-UHFFFAOYSA-N 1 2 250.302 0.234 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)COc1ccc(C#N)cc1 ZINC000071140288 388956519 /nfs/dbraw/zinc/95/65/19/388956519.db2.gz SJRCWKGCEDLOLW-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO C#CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000073046192 388974160 /nfs/dbraw/zinc/97/41/60/388974160.db2.gz WECXFMVFFHCKEJ-UHFFFAOYSA-N 1 2 297.362 0.795 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)NCc1ccco1 ZINC000076185258 388986471 /nfs/dbraw/zinc/98/64/71/388986471.db2.gz FOWZBIUOTXTFHB-UHFFFAOYSA-N 1 2 273.292 0.174 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)CSc1nc(C)n[nH]1 ZINC000294015574 388991238 /nfs/dbraw/zinc/99/12/38/388991238.db2.gz PZYUQMFDVVMYKD-UHFFFAOYSA-N 1 2 281.385 0.277 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)CSc1nc(C)n[nH]1 ZINC000294015574 388991242 /nfs/dbraw/zinc/99/12/42/388991242.db2.gz PZYUQMFDVVMYKD-UHFFFAOYSA-N 1 2 281.385 0.277 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000192227232 389029741 /nfs/dbraw/zinc/02/97/41/389029741.db2.gz UJNISIVVOXKKKL-LLVKDONJSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000192227232 389029745 /nfs/dbraw/zinc/02/97/45/389029745.db2.gz UJNISIVVOXKKKL-LLVKDONJSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000192228814 389029761 /nfs/dbraw/zinc/02/97/61/389029761.db2.gz SZTXKXJRTBDQCG-UHFFFAOYSA-N 1 2 273.336 0.892 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000192228814 389029765 /nfs/dbraw/zinc/02/97/65/389029765.db2.gz SZTXKXJRTBDQCG-UHFFFAOYSA-N 1 2 273.336 0.892 20 30 CCEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735156 389030303 /nfs/dbraw/zinc/03/03/03/389030303.db2.gz HGIJEYDHFWFENY-RISCZKNCSA-N 1 2 289.335 0.664 20 30 CCEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735156 389030304 /nfs/dbraw/zinc/03/03/04/389030304.db2.gz HGIJEYDHFWFENY-RISCZKNCSA-N 1 2 289.335 0.664 20 30 CCEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)N1CCOCC1 ZINC000191914207 389020341 /nfs/dbraw/zinc/02/03/41/389020341.db2.gz MNLNMJPJQQYWIN-UHFFFAOYSA-N 1 2 272.348 0.829 20 30 CCEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)N1CCOCC1 ZINC000191914207 389020342 /nfs/dbraw/zinc/02/03/42/389020342.db2.gz MNLNMJPJQQYWIN-UHFFFAOYSA-N 1 2 272.348 0.829 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@](=O)CC[C@@H]2C)C1=O ZINC000337220312 389055678 /nfs/dbraw/zinc/05/56/78/389055678.db2.gz BYCDKMQRFUVDLV-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@](=O)CC[C@@H]2C)C1=O ZINC000337220312 389055679 /nfs/dbraw/zinc/05/56/79/389055679.db2.gz BYCDKMQRFUVDLV-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)C[C@H](C)O1 ZINC000102823114 389075381 /nfs/dbraw/zinc/07/53/81/389075381.db2.gz WRBMBFMDMBJJNV-MJBXVCDLSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)NCC#N)C[C@H](C)O1 ZINC000102823114 389075385 /nfs/dbraw/zinc/07/53/85/389075385.db2.gz WRBMBFMDMBJJNV-MJBXVCDLSA-N 1 2 294.399 0.200 20 30 CCEDLO C=C(C)COCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000355465472 389081683 /nfs/dbraw/zinc/08/16/83/389081683.db2.gz CHRBMJWFKQDMKN-UHFFFAOYSA-N 1 2 293.323 0.738 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105612003 389086587 /nfs/dbraw/zinc/08/65/87/389086587.db2.gz FNVPYESDASSNOS-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105612003 389086588 /nfs/dbraw/zinc/08/65/88/389086588.db2.gz FNVPYESDASSNOS-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000328937854 389146379 /nfs/dbraw/zinc/14/63/79/389146379.db2.gz DCOUAEWWJVKLPH-MNOVXSKESA-N 1 2 280.328 0.933 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000328937854 389146381 /nfs/dbraw/zinc/14/63/81/389146381.db2.gz DCOUAEWWJVKLPH-MNOVXSKESA-N 1 2 280.328 0.933 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CCOCCC#N)C1CC1 ZINC000338995683 389120226 /nfs/dbraw/zinc/12/02/26/389120226.db2.gz FDQZDNKABORBHQ-NSHDSACASA-N 1 2 274.386 0.814 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCOCCC#N)C1CC1 ZINC000338995683 389120229 /nfs/dbraw/zinc/12/02/29/389120229.db2.gz FDQZDNKABORBHQ-NSHDSACASA-N 1 2 274.386 0.814 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000339078013 389123837 /nfs/dbraw/zinc/12/38/37/389123837.db2.gz CNGHFKAEMNYZGA-VXGBXAGGSA-N 1 2 257.330 0.841 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000339078013 389123838 /nfs/dbraw/zinc/12/38/38/389123838.db2.gz CNGHFKAEMNYZGA-VXGBXAGGSA-N 1 2 257.330 0.841 20 30 CCEDLO CN1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1=O ZINC000328611360 389129098 /nfs/dbraw/zinc/12/90/98/389129098.db2.gz OKNWFTYWFSKPDH-GHMZBOCLSA-N 1 2 291.355 0.495 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000328729049 389134262 /nfs/dbraw/zinc/13/42/62/389134262.db2.gz FFLBIGFLWYLFHD-ZJUUUORDSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000328729049 389134265 /nfs/dbraw/zinc/13/42/65/389134265.db2.gz FFLBIGFLWYLFHD-ZJUUUORDSA-N 1 2 293.327 0.046 20 30 CCEDLO C=CC[C@H](CC)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000357705220 389137401 /nfs/dbraw/zinc/13/74/01/389137401.db2.gz NKIMHAWCPXBWQV-NSHDSACASA-N 1 2 294.403 0.128 20 30 CCEDLO C=CC[C@H](CC)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000357705220 389137405 /nfs/dbraw/zinc/13/74/05/389137405.db2.gz NKIMHAWCPXBWQV-NSHDSACASA-N 1 2 294.403 0.128 20 30 CCEDLO C=CC[C@H](CC)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000357705220 389137407 /nfs/dbraw/zinc/13/74/07/389137407.db2.gz NKIMHAWCPXBWQV-NSHDSACASA-N 1 2 294.403 0.128 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339700773 389137955 /nfs/dbraw/zinc/13/79/55/389137955.db2.gz TWNUUUMAMOIOOU-UHFFFAOYSA-N 1 2 286.335 0.985 20 30 CCEDLO Cc1ncc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)[nH]1 ZINC000328781296 389138238 /nfs/dbraw/zinc/13/82/38/389138238.db2.gz MTBSPEUGOAWGFV-UHFFFAOYSA-N 1 2 295.343 0.311 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328813809 389138956 /nfs/dbraw/zinc/13/89/56/389138956.db2.gz BYPVVNUDZHJSIV-BNOWGMLFSA-N 1 2 297.399 0.778 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000120390760 389142736 /nfs/dbraw/zinc/14/27/36/389142736.db2.gz LPDZVAVXDWJNJR-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO Cc1n[nH]cc1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329631864 389179704 /nfs/dbraw/zinc/17/97/04/389179704.db2.gz WDBCCHSKWXLZCP-UHFFFAOYSA-N 1 2 260.301 0.844 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000329638014 389180656 /nfs/dbraw/zinc/18/06/56/389180656.db2.gz VXQRETLQJZPXKW-UHFFFAOYSA-N 1 2 283.397 0.790 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000341370818 389187818 /nfs/dbraw/zinc/18/78/18/389187818.db2.gz PHHIBYZQAZLKSY-KGLIPLIRSA-N 1 2 299.415 0.676 20 30 CCEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000329849738 389206024 /nfs/dbraw/zinc/20/60/24/389206024.db2.gz RYZBKSWPTMCYDJ-LLVKDONJSA-N 1 2 264.329 0.692 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000342218884 389200736 /nfs/dbraw/zinc/20/07/36/389200736.db2.gz NLYHVZUYJGIWMT-GHMZBOCLSA-N 1 2 276.365 0.913 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342223674 389201102 /nfs/dbraw/zinc/20/11/02/389201102.db2.gz SDEXOJYYTDWQNC-NEPJUHHUSA-N 1 2 263.341 0.746 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329804716 389202947 /nfs/dbraw/zinc/20/29/47/389202947.db2.gz MGEKPZMAIJUHTA-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329804716 389202950 /nfs/dbraw/zinc/20/29/50/389202950.db2.gz MGEKPZMAIJUHTA-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000329401196 389162046 /nfs/dbraw/zinc/16/20/46/389162046.db2.gz BJIXQUYSWIIJBB-DZGCQCFKSA-N 1 2 292.383 0.652 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000329401196 389162049 /nfs/dbraw/zinc/16/20/49/389162049.db2.gz BJIXQUYSWIIJBB-DZGCQCFKSA-N 1 2 292.383 0.652 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H]21 ZINC000329517702 389167865 /nfs/dbraw/zinc/16/78/65/389167865.db2.gz DUZLIPKNTWFHTE-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H]21 ZINC000329517702 389167868 /nfs/dbraw/zinc/16/78/68/389167868.db2.gz DUZLIPKNTWFHTE-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO CN(C)[C@H](C(=O)N1CCC(F)(C#N)CC1)c1c[nH+]cn1C ZINC000359348605 389171302 /nfs/dbraw/zinc/17/13/02/389171302.db2.gz JZTUNZBLYXRWBH-LBPRGKRZSA-N 1 2 293.346 0.877 20 30 CCEDLO C[C@@H](C(=O)NCCn1cnnc1C1CC1)[NH+]1CCOCC1 ZINC000329576187 389171662 /nfs/dbraw/zinc/17/16/62/389171662.db2.gz JYOXIDXYKUDEGH-NSHDSACASA-N 1 2 293.371 0.833 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359379914 389172355 /nfs/dbraw/zinc/17/23/55/389172355.db2.gz FCRPNROIEMJIPZ-LLVKDONJSA-N 1 2 269.320 0.561 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359379914 389172356 /nfs/dbraw/zinc/17/23/56/389172356.db2.gz FCRPNROIEMJIPZ-LLVKDONJSA-N 1 2 269.320 0.561 20 30 CCEDLO C[NH+](C)Cc1cc(C(=O)N=c2ccn(CCC#N)[nH]2)no1 ZINC000359448212 389173733 /nfs/dbraw/zinc/17/37/33/389173733.db2.gz NUBGLAOKKCVZAS-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000330592646 389245016 /nfs/dbraw/zinc/24/50/16/389245016.db2.gz WDGATIZGZUVAJT-MGPQQGTHSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000330592646 389245018 /nfs/dbraw/zinc/24/50/18/389245018.db2.gz WDGATIZGZUVAJT-MGPQQGTHSA-N 1 2 282.384 0.541 20 30 CCEDLO CC[C@@](C)(O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330640941 389248361 /nfs/dbraw/zinc/24/83/61/389248361.db2.gz QLKSGQQDOBCLEG-CQSZACIVSA-N 1 2 287.404 0.762 20 30 CCEDLO CC[C@@](C)(O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330640941 389248362 /nfs/dbraw/zinc/24/83/62/389248362.db2.gz QLKSGQQDOBCLEG-CQSZACIVSA-N 1 2 287.404 0.762 20 30 CCEDLO N#C[C@H]1CN(C([O-])=[NH+]CCCn2cc[nH+]c2)CCO1 ZINC000330641960 389248981 /nfs/dbraw/zinc/24/89/81/389248981.db2.gz DSEVPQYAPXNMPP-NSHDSACASA-N 1 2 263.301 0.412 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000330641960 389248984 /nfs/dbraw/zinc/24/89/84/389248984.db2.gz DSEVPQYAPXNMPP-NSHDSACASA-N 1 2 263.301 0.412 20 30 CCEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H](C2CC2)O1 ZINC000329892363 389208620 /nfs/dbraw/zinc/20/86/20/389208620.db2.gz AFYMAWMORMBWCO-BNOWGMLFSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C2CC2)O1 ZINC000329892363 389208622 /nfs/dbraw/zinc/20/86/22/389208622.db2.gz AFYMAWMORMBWCO-BNOWGMLFSA-N 1 2 297.399 0.730 20 30 CCEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1COCCO1 ZINC000329947354 389213441 /nfs/dbraw/zinc/21/34/41/389213441.db2.gz GXGXACVYLFYHOJ-GFCCVEGCSA-N 1 2 290.323 0.753 20 30 CCEDLO C=CC[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361564874 389220419 /nfs/dbraw/zinc/22/04/19/389220419.db2.gz NEXNDCIXQBAUAZ-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO CC[N@H+](CCN1CCCS1(=O)=O)C[C@H](C)C#N ZINC000330364721 389221566 /nfs/dbraw/zinc/22/15/66/389221566.db2.gz VGXGWWBAUWYPCD-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CC[N@@H+](CCN1CCCS1(=O)=O)C[C@H](C)C#N ZINC000330364721 389221568 /nfs/dbraw/zinc/22/15/68/389221568.db2.gz VGXGWWBAUWYPCD-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1=O ZINC000330391717 389224338 /nfs/dbraw/zinc/22/43/38/389224338.db2.gz PIIZTSKJGHOXFB-TUAOUCFPSA-N 1 2 288.413 0.527 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1=O ZINC000330391717 389224342 /nfs/dbraw/zinc/22/43/42/389224342.db2.gz PIIZTSKJGHOXFB-TUAOUCFPSA-N 1 2 288.413 0.527 20 30 CCEDLO C[C@@H](CO)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330416646 389226650 /nfs/dbraw/zinc/22/66/50/389226650.db2.gz BFOKLHDZIVHPTE-LLVKDONJSA-N 1 2 273.377 0.229 20 30 CCEDLO C[C@@H](CO)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330416646 389226651 /nfs/dbraw/zinc/22/66/51/389226651.db2.gz BFOKLHDZIVHPTE-LLVKDONJSA-N 1 2 273.377 0.229 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCNC1=O ZINC000330441794 389230402 /nfs/dbraw/zinc/23/04/02/389230402.db2.gz SOFQZDMRJMLEFA-NXEZZACHSA-N 1 2 265.317 0.054 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246742810 389231942 /nfs/dbraw/zinc/23/19/42/389231942.db2.gz UZJKQVJHTBJOOY-QWHCGFSZSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246742810 389231945 /nfs/dbraw/zinc/23/19/45/389231945.db2.gz UZJKQVJHTBJOOY-QWHCGFSZSA-N 1 2 292.383 0.492 20 30 CCEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330469250 389233050 /nfs/dbraw/zinc/23/30/50/389233050.db2.gz ZIFYDFAREDLQGX-LBPRGKRZSA-N 1 2 293.371 0.788 20 30 CCEDLO CCC(=O)N[C@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330469250 389233051 /nfs/dbraw/zinc/23/30/51/389233051.db2.gz ZIFYDFAREDLQGX-LBPRGKRZSA-N 1 2 293.371 0.788 20 30 CCEDLO CNC(=O)NCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330499729 389236061 /nfs/dbraw/zinc/23/60/61/389236061.db2.gz KQTKLXHRZOPUGS-UHFFFAOYSA-N 1 2 291.355 0.300 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000247106057 389236132 /nfs/dbraw/zinc/23/61/32/389236132.db2.gz FOOWRWLBYKCXBS-CHWSQXEVSA-N 1 2 251.330 0.903 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000247106057 389236135 /nfs/dbraw/zinc/23/61/35/389236135.db2.gz FOOWRWLBYKCXBS-CHWSQXEVSA-N 1 2 251.330 0.903 20 30 CCEDLO Cn1cc([C@H]2CCCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC000330517275 389237715 /nfs/dbraw/zinc/23/77/15/389237715.db2.gz XINUQGYZQZRRAG-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1cc([C@H]2CCCC[N@H+]2CC(=O)NCC#N)cn1 ZINC000330517275 389237717 /nfs/dbraw/zinc/23/77/17/389237717.db2.gz XINUQGYZQZRRAG-GFCCVEGCSA-N 1 2 261.329 0.587 20 30 CCEDLO C[C@H](C#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000345750262 389313800 /nfs/dbraw/zinc/31/38/00/389313800.db2.gz LQJWSNAGSIUJEG-LLVKDONJSA-N 1 2 277.328 0.313 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345784880 389315243 /nfs/dbraw/zinc/31/52/43/389315243.db2.gz PJWKRQGNVZSNNW-KBPBESRZSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000345840233 389316927 /nfs/dbraw/zinc/31/69/27/389316927.db2.gz HSVZLHXWEKJFOC-ZDUSSCGKSA-N 1 2 294.355 0.738 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000345960389 389319007 /nfs/dbraw/zinc/31/90/07/389319007.db2.gz RHAOQRQJSUJEGM-CHWSQXEVSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000345960389 389319009 /nfs/dbraw/zinc/31/90/09/389319009.db2.gz RHAOQRQJSUJEGM-CHWSQXEVSA-N 1 2 277.299 0.837 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000156711698 389327167 /nfs/dbraw/zinc/32/71/67/389327167.db2.gz PESDJXOEYKTTMP-UHFFFAOYSA-N 1 2 262.313 0.525 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000156711698 389327170 /nfs/dbraw/zinc/32/71/70/389327170.db2.gz PESDJXOEYKTTMP-UHFFFAOYSA-N 1 2 262.313 0.525 20 30 CCEDLO C=C1CC[NH+](CC(=O)NC(=O)N[C@@H](C)COC)CC1 ZINC000264457883 389329410 /nfs/dbraw/zinc/32/94/10/389329410.db2.gz JPPBHAVGKLSGKH-NSHDSACASA-N 1 2 269.345 0.499 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000152103098 389283917 /nfs/dbraw/zinc/28/39/17/389283917.db2.gz LJUWVTGFHGVFFT-UONOGXRCSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000152103098 389283920 /nfs/dbraw/zinc/28/39/20/389283920.db2.gz LJUWVTGFHGVFFT-UONOGXRCSA-N 1 2 271.320 0.713 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366429308 389301967 /nfs/dbraw/zinc/30/19/67/389301967.db2.gz DZLIVMXJLYMOGP-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366429308 389301969 /nfs/dbraw/zinc/30/19/69/389301969.db2.gz DZLIVMXJLYMOGP-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000411169064 389418430 /nfs/dbraw/zinc/41/84/30/389418430.db2.gz CJONDKRIIKMXPX-CYBMUJFWSA-N 1 2 292.383 0.445 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000408402189 389346490 /nfs/dbraw/zinc/34/64/90/389346490.db2.gz GYZXEASEZZXHAW-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000408402189 389346492 /nfs/dbraw/zinc/34/64/92/389346492.db2.gz GYZXEASEZZXHAW-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000347706349 389356802 /nfs/dbraw/zinc/35/68/02/389356802.db2.gz XEAGDFSNKIIPGZ-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000347706349 389356807 /nfs/dbraw/zinc/35/68/07/389356807.db2.gz XEAGDFSNKIIPGZ-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO Cc1ccc(NC(=O)NCC(=O)NCC#N)c(C)[nH+]1 ZINC000349943879 389466343 /nfs/dbraw/zinc/46/63/43/389466343.db2.gz ASNVKORJCWKJBL-UHFFFAOYSA-N 1 2 261.285 0.460 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000349786663 389436029 /nfs/dbraw/zinc/43/60/29/389436029.db2.gz XZHSGKJWVYEBGX-UHFFFAOYSA-N 1 2 277.309 0.165 20 30 CCEDLO N#Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000350461189 389511133 /nfs/dbraw/zinc/51/11/33/389511133.db2.gz MIOQREGEMQIJHS-UHFFFAOYSA-N 1 2 256.265 0.935 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)CC)C1=O ZINC000281185914 389609785 /nfs/dbraw/zinc/60/97/85/389609785.db2.gz BGIYCGGTCYNINV-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)CC)C1=O ZINC000281185914 389609787 /nfs/dbraw/zinc/60/97/87/389609787.db2.gz BGIYCGGTCYNINV-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C)C1=O ZINC000281183991 389610308 /nfs/dbraw/zinc/61/03/08/389610308.db2.gz BAZWQURDLJKCCG-QWRGUYRKSA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1=O ZINC000281183991 389610310 /nfs/dbraw/zinc/61/03/10/389610310.db2.gz BAZWQURDLJKCCG-QWRGUYRKSA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335832908 389611741 /nfs/dbraw/zinc/61/17/41/389611741.db2.gz HUYIPWLNXGQMHK-KBPBESRZSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335832908 389611745 /nfs/dbraw/zinc/61/17/45/389611745.db2.gz HUYIPWLNXGQMHK-KBPBESRZSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)OCC)C1=O ZINC000281289993 389613066 /nfs/dbraw/zinc/61/30/66/389613066.db2.gz JFWVQRDKQVOMPE-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)OCC)C1=O ZINC000281289993 389613069 /nfs/dbraw/zinc/61/30/69/389613069.db2.gz JFWVQRDKQVOMPE-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(CCOC)c2)C1=O ZINC000281413782 389616188 /nfs/dbraw/zinc/61/61/88/389616188.db2.gz YKCKRBBOGVEQTF-AWEZNQCLSA-N 1 2 292.383 0.748 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(CCOC)c2)C1=O ZINC000281413782 389616191 /nfs/dbraw/zinc/61/61/91/389616191.db2.gz YKCKRBBOGVEQTF-AWEZNQCLSA-N 1 2 292.383 0.748 20 30 CCEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)Cn1cc[nH+]c1 ZINC000414462295 389617259 /nfs/dbraw/zinc/61/72/59/389617259.db2.gz UEYNFNYADBEZEU-JTQLQIEISA-N 1 2 294.336 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@@]2(C)CCC)C1=O ZINC000281464909 389617831 /nfs/dbraw/zinc/61/78/31/389617831.db2.gz VPBMURXJQBNFJO-IUODEOHRSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@@]2(C)CCC)C1=O ZINC000281464909 389617835 /nfs/dbraw/zinc/61/78/35/389617835.db2.gz VPBMURXJQBNFJO-IUODEOHRSA-N 1 2 279.384 0.764 20 30 CCEDLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000281939572 389637878 /nfs/dbraw/zinc/63/78/78/389637878.db2.gz BKFBGCZZNGRALW-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO CC1(C)CNC(=O)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000281939572 389637883 /nfs/dbraw/zinc/63/78/83/389637883.db2.gz BKFBGCZZNGRALW-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000281138578 389608578 /nfs/dbraw/zinc/60/85/78/389608578.db2.gz AIPWATWASYZOPR-IUCAKERBSA-N 1 2 266.263 0.628 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)C(F)(F)F)C1=O ZINC000281138578 389608581 /nfs/dbraw/zinc/60/85/81/389608581.db2.gz AIPWATWASYZOPR-IUCAKERBSA-N 1 2 266.263 0.628 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c[nH]1 ZINC000336558934 389650987 /nfs/dbraw/zinc/65/09/87/389650987.db2.gz BLRVRZOYDGDQJV-SECBINFHSA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c[nH]1 ZINC000336558934 389650991 /nfs/dbraw/zinc/65/09/91/389650991.db2.gz BLRVRZOYDGDQJV-SECBINFHSA-N 1 2 255.281 0.897 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282309350 389660788 /nfs/dbraw/zinc/66/07/88/389660788.db2.gz SZOPDUFMFMNHNG-OLZOCXBDSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282309350 389660789 /nfs/dbraw/zinc/66/07/89/389660789.db2.gz SZOPDUFMFMNHNG-OLZOCXBDSA-N 1 2 279.384 0.738 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000426076777 389662913 /nfs/dbraw/zinc/66/29/13/389662913.db2.gz MICKSSASQCNXBN-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000426076777 389662918 /nfs/dbraw/zinc/66/29/18/389662918.db2.gz MICKSSASQCNXBN-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C#CCC[NH+]1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000375740264 389706956 /nfs/dbraw/zinc/70/69/56/389706956.db2.gz AFVDCXMWIXYBEP-UHFFFAOYSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000376342321 389733717 /nfs/dbraw/zinc/73/37/17/389733717.db2.gz ALCRJCSSAXNNLV-CYBMUJFWSA-N 1 2 293.392 0.993 20 30 CCEDLO C#C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376441580 389735812 /nfs/dbraw/zinc/73/58/12/389735812.db2.gz MBRKFSHZIQCHAN-RWMBFGLXSA-N 1 2 265.357 0.513 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000352449390 389812481 /nfs/dbraw/zinc/81/24/81/389812481.db2.gz MMDGVPRWUVFULJ-NSHDSACASA-N 1 2 296.346 0.038 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188968 389832663 /nfs/dbraw/zinc/83/26/63/389832663.db2.gz KKCOMPUCHBRHDF-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188968 389832667 /nfs/dbraw/zinc/83/26/67/389832667.db2.gz KKCOMPUCHBRHDF-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408217073 389835933 /nfs/dbraw/zinc/83/59/33/389835933.db2.gz XNPPVHDESJFNFN-JTQLQIEISA-N 1 2 283.357 0.637 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000431374982 389857453 /nfs/dbraw/zinc/85/74/53/389857453.db2.gz IULMMVIVWWXPRK-UHFFFAOYSA-N 1 2 299.371 0.662 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000431374982 389857457 /nfs/dbraw/zinc/85/74/57/389857457.db2.gz IULMMVIVWWXPRK-UHFFFAOYSA-N 1 2 299.371 0.662 20 30 CCEDLO Cc1nn(Cc2cc[nH+]c(N)c2)c(=O)c(C#N)c1C ZINC000443478185 389880332 /nfs/dbraw/zinc/88/03/32/389880332.db2.gz UUBSRVOUUIWYNB-UHFFFAOYSA-N 1 2 255.281 0.588 20 30 CCEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443728674 389884001 /nfs/dbraw/zinc/88/40/01/389884001.db2.gz ZPENBGXCAIFCAM-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)o1 ZINC000443857913 389885806 /nfs/dbraw/zinc/88/58/06/389885806.db2.gz VETFAQKIIXKOJN-SNVBAGLBSA-N 1 2 255.299 0.014 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)o1 ZINC000443857913 389885807 /nfs/dbraw/zinc/88/58/07/389885807.db2.gz VETFAQKIIXKOJN-SNVBAGLBSA-N 1 2 255.299 0.014 20 30 CCEDLO N#Cc1cccc2c1CCN2C[C@H](O)C[NH+]1CCOCC1 ZINC000420971361 390041053 /nfs/dbraw/zinc/04/10/53/390041053.db2.gz HRTBFSPMMUUNIP-CQSZACIVSA-N 1 2 287.363 0.614 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000448948685 389992045 /nfs/dbraw/zinc/99/20/45/389992045.db2.gz FLDAFIKIZWYSJR-JSGCOSHPSA-N 1 2 265.357 0.717 20 30 CCEDLO N#CCCN(CC[C@@H]1CCOC1)CC[NH+]1CCOCC1 ZINC000437576284 389994476 /nfs/dbraw/zinc/99/44/76/389994476.db2.gz JUJDXQWMKIXBPV-OAHLLOKOSA-N 1 2 281.400 0.961 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000440396043 390036364 /nfs/dbraw/zinc/03/63/64/390036364.db2.gz FOPMYYRBTLELID-RYUDHWBXSA-N 1 2 284.385 0.444 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000440396043 390036366 /nfs/dbraw/zinc/03/63/66/390036366.db2.gz FOPMYYRBTLELID-RYUDHWBXSA-N 1 2 284.385 0.444 20 30 CCEDLO CNC(=O)Cc1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000494445747 390173669 /nfs/dbraw/zinc/17/36/69/390173669.db2.gz SCXBFUVOXVSFCU-UHFFFAOYSA-N 1 2 299.334 0.862 20 30 CCEDLO CNC(=O)Cc1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000494445747 390173673 /nfs/dbraw/zinc/17/36/73/390173673.db2.gz SCXBFUVOXVSFCU-UHFFFAOYSA-N 1 2 299.334 0.862 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CC1 ZINC000580111454 390221635 /nfs/dbraw/zinc/22/16/35/390221635.db2.gz KVBONBBKPXDHME-QWHCGFSZSA-N 1 2 292.383 0.795 20 30 CCEDLO CC#CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000541748280 390247296 /nfs/dbraw/zinc/24/72/96/390247296.db2.gz JHAZWDNVHQXMDB-UHFFFAOYSA-N 1 2 250.342 0.771 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000592522777 390364160 /nfs/dbraw/zinc/36/41/60/390364160.db2.gz RSRVTMOHFLVRNI-LBPRGKRZSA-N 1 2 265.338 0.697 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000592522777 390364162 /nfs/dbraw/zinc/36/41/62/390364162.db2.gz RSRVTMOHFLVRNI-LBPRGKRZSA-N 1 2 265.338 0.697 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000645121742 390374534 /nfs/dbraw/zinc/37/45/34/390374534.db2.gz HZWZMAMQZSHQSD-LBPRGKRZSA-N 1 2 286.335 0.908 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000562732229 390490566 /nfs/dbraw/zinc/49/05/66/390490566.db2.gz WOFIKMKQEAFNSM-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000564916761 390498274 /nfs/dbraw/zinc/49/82/74/390498274.db2.gz RKLVDBJTCQGLBP-QMTHXVAHSA-N 1 2 280.372 0.237 20 30 CCEDLO CNC(=O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000565156054 390500261 /nfs/dbraw/zinc/50/02/61/390500261.db2.gz HJOCOBAHGYWOMX-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000649184613 390513334 /nfs/dbraw/zinc/51/33/34/390513334.db2.gz OEDXEQKTHQJECE-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO N#Cc1cncnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566149915 390586421 /nfs/dbraw/zinc/58/64/21/390586421.db2.gz SHQYNWCRRWGKDI-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215751 390526213 /nfs/dbraw/zinc/52/62/13/390526213.db2.gz ANBIUTSCCHUOLX-NWDGAFQWSA-N 1 2 263.341 0.746 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000566176180 390591281 /nfs/dbraw/zinc/59/12/81/390591281.db2.gz HBDAYYZNLUBCNW-AWEZNQCLSA-N 1 2 297.424 0.956 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000566176180 390591283 /nfs/dbraw/zinc/59/12/83/390591283.db2.gz HBDAYYZNLUBCNW-AWEZNQCLSA-N 1 2 297.424 0.956 20 30 CCEDLO Cc1nc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000523441795 390636278 /nfs/dbraw/zinc/63/62/78/390636278.db2.gz QCMIQLQAYVKQPH-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1nc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000523441795 390636282 /nfs/dbraw/zinc/63/62/82/390636282.db2.gz QCMIQLQAYVKQPH-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000646118396 390607226 /nfs/dbraw/zinc/60/72/26/390607226.db2.gz DXUQVTZNEWJZBI-AWEZNQCLSA-N 1 2 263.385 0.686 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000646118396 390607229 /nfs/dbraw/zinc/60/72/29/390607229.db2.gz DXUQVTZNEWJZBI-AWEZNQCLSA-N 1 2 263.385 0.686 20 30 CCEDLO Cn1ncc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnc21 ZINC000570401498 390718395 /nfs/dbraw/zinc/71/83/95/390718395.db2.gz UPBYOSDVLSYTSD-AWEZNQCLSA-N 1 2 286.339 0.542 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000570812842 390719807 /nfs/dbraw/zinc/71/98/07/390719807.db2.gz KGHPXMDQEBJHGI-CYBMUJFWSA-N 1 2 281.356 0.240 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000570921317 390724350 /nfs/dbraw/zinc/72/43/50/390724350.db2.gz WKMAYKMFPAYDSS-UHFFFAOYSA-N 1 2 289.307 0.746 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2nccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000531853755 390878447 /nfs/dbraw/zinc/87/84/47/390878447.db2.gz MPRRXXVRKIRIQZ-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2nccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000531853755 390878452 /nfs/dbraw/zinc/87/84/52/390878452.db2.gz MPRRXXVRKIRIQZ-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531392249 390878529 /nfs/dbraw/zinc/87/85/29/390878529.db2.gz CZISHFLFAQIKIX-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531392249 390878531 /nfs/dbraw/zinc/87/85/31/390878531.db2.gz CZISHFLFAQIKIX-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO CCN1CCN(c2ccnc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000575002677 390830368 /nfs/dbraw/zinc/83/03/68/390830368.db2.gz TXWFTXMTYZAYKV-NSHDSACASA-N 1 2 283.339 0.955 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC#N)CC1CC1 ZINC000532568647 390880915 /nfs/dbraw/zinc/88/09/15/390880915.db2.gz MJYGCUNJMZMABL-JTQLQIEISA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC#N)CC1CC1 ZINC000532568647 390880917 /nfs/dbraw/zinc/88/09/17/390880917.db2.gz MJYGCUNJMZMABL-JTQLQIEISA-N 1 2 266.345 0.846 20 30 CCEDLO Cc1c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000578511725 390889017 /nfs/dbraw/zinc/88/90/17/390889017.db2.gz CPNOCZDIEDLVCY-ZDUSSCGKSA-N 1 2 263.345 0.231 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000263775096 131328508 /nfs/dbraw/zinc/32/85/08/131328508.db2.gz KSXJDTQDWJMEMS-GFCCVEGCSA-N 1 2 273.340 0.339 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267649730 131896567 /nfs/dbraw/zinc/89/65/67/131896567.db2.gz KXSNOLLETGEYSH-BXKDBHETSA-N 1 2 258.293 0.264 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267649730 131896568 /nfs/dbraw/zinc/89/65/68/131896568.db2.gz KXSNOLLETGEYSH-BXKDBHETSA-N 1 2 258.293 0.264 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2nc(C)ccc2C#N)CC1 ZINC000269173066 132124450 /nfs/dbraw/zinc/12/44/50/132124450.db2.gz RYSWTSKKEUSGEM-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO Cn1ncc(C(=O)NCCNc2cccc[nH+]2)c1C#N ZINC000359148239 144196698 /nfs/dbraw/zinc/19/66/98/144196698.db2.gz IUGAUIPQPHFTPT-UHFFFAOYSA-N 1 2 270.296 0.529 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330281818 286046848 /nfs/dbraw/zinc/04/68/48/286046848.db2.gz UYKUHXYQTUCTKX-QWRGUYRKSA-N 1 2 264.329 0.833 20 30 CCEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1COC[C@H]1O ZINC000285397844 196272282 /nfs/dbraw/zinc/27/22/82/196272282.db2.gz CJOFTPSDROJNHM-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1COC[C@H]1O ZINC000285397844 196272283 /nfs/dbraw/zinc/27/22/83/196272283.db2.gz CJOFTPSDROJNHM-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660906444 414526792 /nfs/dbraw/zinc/52/67/92/414526792.db2.gz HLHVXSQEWJSOQF-AWEZNQCLSA-N 1 2 297.399 0.695 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000661276788 414589372 /nfs/dbraw/zinc/58/93/72/414589372.db2.gz KCXRKJNWZCPORT-VHSXEESVSA-N 1 2 252.318 0.810 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2C[C@@H](C)C(=O)[C@H](C)C2)C1=O ZINC000661545245 414639867 /nfs/dbraw/zinc/63/98/67/414639867.db2.gz UCKAMHHQTDGYHZ-IJLUTSLNSA-N 1 2 250.342 0.930 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803823 227083894 /nfs/dbraw/zinc/08/38/94/227083894.db2.gz VPSIRHVGGNUISC-GHMZBOCLSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803823 227083900 /nfs/dbraw/zinc/08/39/00/227083900.db2.gz VPSIRHVGGNUISC-GHMZBOCLSA-N 1 2 274.390 0.101 20 30 CCEDLO Cn1cncc1CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330046434 228025674 /nfs/dbraw/zinc/02/56/74/228025674.db2.gz GYRQYHSVSLXJTJ-LBPRGKRZSA-N 1 2 266.345 0.640 20 30 CCEDLO Cn1cncc1CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330046434 228025676 /nfs/dbraw/zinc/02/56/76/228025676.db2.gz GYRQYHSVSLXJTJ-LBPRGKRZSA-N 1 2 266.345 0.640 20 30 CCEDLO N#C[C@]1(C(=O)NCC[NH+]2CCOCC2)CC12CCCC2 ZINC000333063197 228189104 /nfs/dbraw/zinc/18/91/04/228189104.db2.gz BIDMBCOIPHSRCJ-HNNXBMFYSA-N 1 2 277.368 0.909 20 30 CCEDLO CC(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328958074 545020540 /nfs/dbraw/zinc/02/05/40/545020540.db2.gz OIVSCEHTXIQLRO-SNVBAGLBSA-N 1 2 262.313 0.633 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@H]1CCS(=O)(=O)C1 ZINC000329470638 545022813 /nfs/dbraw/zinc/02/28/13/545022813.db2.gz YXWSKJVFGFAIEH-JTQLQIEISA-N 1 2 292.426 0.426 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)C ZINC000076651933 260114106 /nfs/dbraw/zinc/11/41/06/260114106.db2.gz PEQUVDSPXAMSPH-LLVKDONJSA-N 1 2 268.361 0.015 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000076651933 260114108 /nfs/dbraw/zinc/11/41/08/260114108.db2.gz PEQUVDSPXAMSPH-LLVKDONJSA-N 1 2 268.361 0.015 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080509 260218804 /nfs/dbraw/zinc/21/88/04/260218804.db2.gz CBYQAYZSBNNREQ-QWRGUYRKSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080509 260218805 /nfs/dbraw/zinc/21/88/05/260218805.db2.gz CBYQAYZSBNNREQ-QWRGUYRKSA-N 1 2 274.390 0.101 20 30 CCEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)CCO ZINC000136069104 260923312 /nfs/dbraw/zinc/92/33/12/260923312.db2.gz FOVUMLAHOUQIES-UHFFFAOYSA-N 1 2 271.342 0.378 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCCCS(C)(=O)=O)CC1 ZINC000490838872 261221369 /nfs/dbraw/zinc/22/13/69/261221369.db2.gz FEZMHHDBXGUQTN-UHFFFAOYSA-N 1 2 287.381 0.310 20 30 CCEDLO C=CC/N=C1/NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000174891738 261587330 /nfs/dbraw/zinc/58/73/30/261587330.db2.gz PQXXYBMWLCCSRR-JTQLQIEISA-N 1 2 298.412 0.218 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](Cc3cncnc3)CC2)c1C#N ZINC000530513188 269927793 /nfs/dbraw/zinc/92/77/93/269927793.db2.gz PLMZEIMBPJIZRS-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(Cc2cccc(F)c2)no1 ZINC000278343116 263047176 /nfs/dbraw/zinc/04/71/76/263047176.db2.gz YIKANTNXCZCBAM-UHFFFAOYSA-N 1 2 294.286 0.971 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325694 263068055 /nfs/dbraw/zinc/06/80/55/263068055.db2.gz LOCCBMZRMYZXPS-OLZOCXBDSA-N 1 2 292.383 0.466 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325694 263068056 /nfs/dbraw/zinc/06/80/56/263068056.db2.gz LOCCBMZRMYZXPS-OLZOCXBDSA-N 1 2 292.383 0.466 20 30 CCEDLO Cn1ncc(CO[NH+]=C(N)COc2ccccc2)n1 ZINC000289363613 263109638 /nfs/dbraw/zinc/10/96/38/263109638.db2.gz JDYBHZRRSAEZSM-UHFFFAOYSA-N 1 2 261.285 0.683 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C(C)C ZINC000291483111 263123207 /nfs/dbraw/zinc/12/32/07/263123207.db2.gz FYHUFMREHLUHRK-LLVKDONJSA-N 1 2 284.385 0.285 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000341798705 263350215 /nfs/dbraw/zinc/35/02/15/263350215.db2.gz CDXDSFFKQSCOMW-IHRRRGAJSA-N 1 2 299.415 0.579 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000416375845 263693652 /nfs/dbraw/zinc/69/36/52/263693652.db2.gz WPTXDRMXJAWZFA-UHFFFAOYSA-N 1 2 290.385 0.073 20 30 CCEDLO CC(C)(C(=O)N1CC(C)(C#N)C1)[NH+]1CCOCC1 ZINC000328679024 263841662 /nfs/dbraw/zinc/84/16/62/263841662.db2.gz MVKNGHYFCNERII-UHFFFAOYSA-N 1 2 251.330 0.469 20 30 CCEDLO N#CCSCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330745361 264028416 /nfs/dbraw/zinc/02/84/16/264028416.db2.gz FARLWTPROWTOKP-UHFFFAOYSA-N 1 2 279.369 0.311 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000330816211 264046100 /nfs/dbraw/zinc/04/61/00/264046100.db2.gz RCGCVSLEYNSASA-GHMZBOCLSA-N 1 2 287.360 0.162 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000330816211 264046102 /nfs/dbraw/zinc/04/61/02/264046102.db2.gz RCGCVSLEYNSASA-GHMZBOCLSA-N 1 2 287.360 0.162 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330854846 264069725 /nfs/dbraw/zinc/06/97/25/264069725.db2.gz HOAMJLCLLTXMEO-ZFWWWQNUSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659204 264071885 /nfs/dbraw/zinc/07/18/85/264071885.db2.gz LCCMYCMQAURMDB-UHFFFAOYSA-N 1 2 253.346 0.383 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659204 264071888 /nfs/dbraw/zinc/07/18/88/264071888.db2.gz LCCMYCMQAURMDB-UHFFFAOYSA-N 1 2 253.346 0.383 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330912813 264076355 /nfs/dbraw/zinc/07/63/55/264076355.db2.gz HZPUIELNTNQQHT-GFCCVEGCSA-N 1 2 289.401 0.130 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](CCO)C1 ZINC000330934692 264080072 /nfs/dbraw/zinc/08/00/72/264080072.db2.gz JXGGLLLJYFISLX-KGLIPLIRSA-N 1 2 298.431 0.241 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000330954743 264087022 /nfs/dbraw/zinc/08/70/22/264087022.db2.gz GUOFUZQAPCBPGZ-JSGCOSHPSA-N 1 2 299.440 0.841 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000330954743 264087024 /nfs/dbraw/zinc/08/70/24/264087024.db2.gz GUOFUZQAPCBPGZ-JSGCOSHPSA-N 1 2 299.440 0.841 20 30 CCEDLO C[C@H](O)CCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000331161514 264143180 /nfs/dbraw/zinc/14/31/80/264143180.db2.gz RIUAOODOLWKWTB-STQMWFEESA-N 1 2 286.420 0.239 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000331224491 264149917 /nfs/dbraw/zinc/14/99/17/264149917.db2.gz DQMYAQWPFIWHQI-SNVBAGLBSA-N 1 2 282.344 0.231 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000331224491 264149919 /nfs/dbraw/zinc/14/99/19/264149919.db2.gz DQMYAQWPFIWHQI-SNVBAGLBSA-N 1 2 282.344 0.231 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000331237537 264175372 /nfs/dbraw/zinc/17/53/72/264175372.db2.gz MJPRQUGTXGZNJJ-LBPRGKRZSA-N 1 2 278.308 0.862 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000331237537 264175373 /nfs/dbraw/zinc/17/53/73/264175373.db2.gz MJPRQUGTXGZNJJ-LBPRGKRZSA-N 1 2 278.308 0.862 20 30 CCEDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000331265478 264185694 /nfs/dbraw/zinc/18/56/94/264185694.db2.gz HOUMSEHCECIZEB-ZDUSSCGKSA-N 1 2 288.351 0.814 20 30 CCEDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000331265478 264185696 /nfs/dbraw/zinc/18/56/96/264185696.db2.gz HOUMSEHCECIZEB-ZDUSSCGKSA-N 1 2 288.351 0.814 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000331326876 264190277 /nfs/dbraw/zinc/19/02/77/264190277.db2.gz GOAUCVCRXHGOBI-NSHDSACASA-N 1 2 292.387 0.094 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802455 264344227 /nfs/dbraw/zinc/34/42/27/264344227.db2.gz UTEKUMRNEOYXAX-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802455 264344229 /nfs/dbraw/zinc/34/42/29/264344229.db2.gz UTEKUMRNEOYXAX-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077368006 264351874 /nfs/dbraw/zinc/35/18/74/264351874.db2.gz NNDMZAMBQRYCPR-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2nc[nH+]c(N)c2Cl)C1=O ZINC000281991247 264491807 /nfs/dbraw/zinc/49/18/07/264491807.db2.gz VQBUNGAGGASEKM-QMMMGPOBSA-N 1 2 281.747 0.935 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314636695 265173768 /nfs/dbraw/zinc/17/37/68/265173768.db2.gz JZKZZVAHCRRAET-QMMMGPOBSA-N 1 2 283.353 0.883 20 30 CCEDLO Cn1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1CCCC2 ZINC000518986163 265279890 /nfs/dbraw/zinc/27/98/90/265279890.db2.gz DUCGWPIQHUGMOT-OAHLLOKOSA-N 1 2 289.383 0.873 20 30 CCEDLO C=CCSCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357533039 266317268 /nfs/dbraw/zinc/31/72/68/266317268.db2.gz SBRINLXYFLHKRP-UHFFFAOYSA-N 1 2 287.429 0.478 20 30 CCEDLO C=CCSCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357533039 266317270 /nfs/dbraw/zinc/31/72/70/266317270.db2.gz SBRINLXYFLHKRP-UHFFFAOYSA-N 1 2 287.429 0.478 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369293615 267232555 /nfs/dbraw/zinc/23/25/55/267232555.db2.gz LXASJIBZDBXANQ-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369293615 267232557 /nfs/dbraw/zinc/23/25/57/267232557.db2.gz LXASJIBZDBXANQ-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370557753 267328272 /nfs/dbraw/zinc/32/82/72/267328272.db2.gz LUXLKTAKTVSEFS-CHWSQXEVSA-N 1 2 293.367 0.712 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370557753 267328274 /nfs/dbraw/zinc/32/82/74/267328274.db2.gz LUXLKTAKTVSEFS-CHWSQXEVSA-N 1 2 293.367 0.712 20 30 CCEDLO CO[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1OC ZINC000329697007 277297187 /nfs/dbraw/zinc/29/71/87/277297187.db2.gz CCDZHIXGYPDDDT-WQAKAFBOSA-N 1 2 294.355 0.527 20 30 CCEDLO CO[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1OC ZINC000329697007 277297188 /nfs/dbraw/zinc/29/71/88/277297188.db2.gz CCDZHIXGYPDDDT-WQAKAFBOSA-N 1 2 294.355 0.527 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cnn(C)c1 ZINC000329968580 289233532 /nfs/dbraw/zinc/23/35/32/289233532.db2.gz WSQCNAQZUGLLPG-UHTWSYAYSA-N 1 2 293.371 0.410 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cnn(C)c1 ZINC000329968580 289233534 /nfs/dbraw/zinc/23/35/34/289233534.db2.gz WSQCNAQZUGLLPG-UHTWSYAYSA-N 1 2 293.371 0.410 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000332670746 289240919 /nfs/dbraw/zinc/24/09/19/289240919.db2.gz HTFMLBJDFBNWBJ-SECBINFHSA-N 1 2 266.326 0.580 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330335700 297130051 /nfs/dbraw/zinc/13/00/51/297130051.db2.gz RSURTIUTVSGXOT-XQHKEYJVSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330335700 297130052 /nfs/dbraw/zinc/13/00/52/297130052.db2.gz RSURTIUTVSGXOT-XQHKEYJVSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329947875 298243517 /nfs/dbraw/zinc/24/35/17/298243517.db2.gz HHUYVLHETJHVCI-GRYCIOLGSA-N 1 2 291.355 0.468 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329947875 298243521 /nfs/dbraw/zinc/24/35/21/298243521.db2.gz HHUYVLHETJHVCI-GRYCIOLGSA-N 1 2 291.355 0.468 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCCC#N ZINC000171422746 329076083 /nfs/dbraw/zinc/07/60/83/329076083.db2.gz FZECTTJSVIMNMD-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@](O)(C1CC[NH+](CC(=O)NCC#N)CC1)C(F)(F)F ZINC000546639627 328392612 /nfs/dbraw/zinc/39/26/12/328392612.db2.gz ZIEJLLIECCIINZ-NSHDSACASA-N 1 2 293.289 0.651 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000330664095 328466051 /nfs/dbraw/zinc/46/60/51/328466051.db2.gz UJCTZWKXOMRBCF-ZDUSSCGKSA-N 1 2 291.399 0.228 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283787629 328516928 /nfs/dbraw/zinc/51/69/28/328516928.db2.gz GERAVFNGHMXDEK-NSHDSACASA-N 1 2 264.329 0.422 20 30 CCEDLO C#CCNC(=O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290713268 328530606 /nfs/dbraw/zinc/53/06/06/328530606.db2.gz OPQNWDWKDPOJNA-UHFFFAOYSA-N 1 2 281.319 0.661 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000560485047 327313294 /nfs/dbraw/zinc/31/32/94/327313294.db2.gz ROEAPRCCKLNXQO-MNOVXSKESA-N 1 2 278.356 0.100 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000560485047 327313296 /nfs/dbraw/zinc/31/32/96/327313296.db2.gz ROEAPRCCKLNXQO-MNOVXSKESA-N 1 2 278.356 0.100 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000583377578 327333123 /nfs/dbraw/zinc/33/31/23/327333123.db2.gz MUPYCFXMZZQYPF-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000583377577 327333140 /nfs/dbraw/zinc/33/31/40/327333140.db2.gz MUPYCFXMZZQYPF-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO N#CC1(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000580379882 328799373 /nfs/dbraw/zinc/79/93/73/328799373.db2.gz PWJWCDMPRHVRAU-NSHDSACASA-N 1 2 294.380 0.811 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000172878841 329139785 /nfs/dbraw/zinc/13/97/85/329139785.db2.gz NPNYANXJAGIYST-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000172878841 329139786 /nfs/dbraw/zinc/13/97/86/329139786.db2.gz NPNYANXJAGIYST-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000172878835 329139801 /nfs/dbraw/zinc/13/98/01/329139801.db2.gz NPNYANXJAGIYST-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](COC)C1 ZINC000172878835 329139802 /nfs/dbraw/zinc/13/98/02/329139802.db2.gz NPNYANXJAGIYST-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178735303 329200356 /nfs/dbraw/zinc/20/03/56/329200356.db2.gz CIIWFHOMTZDILI-CYBMUJFWSA-N 1 2 267.373 0.085 20 30 CCEDLO N#CCc1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178779519 329200576 /nfs/dbraw/zinc/20/05/76/329200576.db2.gz JAZQMIIUKPVUSL-HNNXBMFYSA-N 1 2 284.363 0.482 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCSCC#N ZINC000189593105 329383831 /nfs/dbraw/zinc/38/38/31/329383831.db2.gz ROIHGDANEYBIFQ-GHMZBOCLSA-N 1 2 272.370 0.632 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCSCC#N ZINC000189593105 329383832 /nfs/dbraw/zinc/38/38/32/329383832.db2.gz ROIHGDANEYBIFQ-GHMZBOCLSA-N 1 2 272.370 0.632 20 30 CCEDLO CCC[N@H+](CC(=O)NCC#N)[C@@H](CC)C(=O)OCC ZINC000190349109 329395228 /nfs/dbraw/zinc/39/52/28/329395228.db2.gz SBKGAAUGVFXKEC-NSHDSACASA-N 1 2 269.345 0.680 20 30 CCEDLO CCC[N@@H+](CC(=O)NCC#N)[C@@H](CC)C(=O)OCC ZINC000190349109 329395229 /nfs/dbraw/zinc/39/52/29/329395229.db2.gz SBKGAAUGVFXKEC-NSHDSACASA-N 1 2 269.345 0.680 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000424137842 330275105 /nfs/dbraw/zinc/27/51/05/330275105.db2.gz PKDNDDUXSLQIKW-ZDUSSCGKSA-N 1 2 264.300 0.689 20 30 CCEDLO C[C@H](C#N)CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000514957575 330467990 /nfs/dbraw/zinc/46/79/90/330467990.db2.gz ITSXSXNBXSPCSI-GFCCVEGCSA-N 1 2 288.351 0.803 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000454648672 331150429 /nfs/dbraw/zinc/15/04/29/331150429.db2.gz KLMDQFVNYPVUSE-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000454648672 331150430 /nfs/dbraw/zinc/15/04/30/331150430.db2.gz KLMDQFVNYPVUSE-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO CC(C)(CC#N)CNC(=O)NCC[NH+]1CCOCC1 ZINC000457398477 331221244 /nfs/dbraw/zinc/22/12/44/331221244.db2.gz IEYSQVYFAUVZRU-UHFFFAOYSA-N 1 2 268.361 0.558 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000457746723 331233100 /nfs/dbraw/zinc/23/31/00/331233100.db2.gz LFCHNMUUSXNXFP-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000458310377 331248063 /nfs/dbraw/zinc/24/80/63/331248063.db2.gz UUKIGKAKQKLVQV-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000458310377 331248064 /nfs/dbraw/zinc/24/80/64/331248064.db2.gz UUKIGKAKQKLVQV-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO CC#CCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000490175143 332083486 /nfs/dbraw/zinc/08/34/86/332083486.db2.gz BCLUWTOLGPCEKQ-CYBMUJFWSA-N 1 2 265.357 0.562 20 30 CCEDLO CC#CCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000490175143 332083488 /nfs/dbraw/zinc/08/34/88/332083488.db2.gz BCLUWTOLGPCEKQ-CYBMUJFWSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490738731 332110060 /nfs/dbraw/zinc/11/00/60/332110060.db2.gz CSYFHCABXHOHOV-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490738731 332110062 /nfs/dbraw/zinc/11/00/62/332110062.db2.gz CSYFHCABXHOHOV-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000490850582 332120329 /nfs/dbraw/zinc/12/03/29/332120329.db2.gz BPJIPRVUQHMSIF-LBPRGKRZSA-N 1 2 297.380 0.433 20 30 CCEDLO C#CC[N@H+](CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000490850582 332120331 /nfs/dbraw/zinc/12/03/31/332120331.db2.gz BPJIPRVUQHMSIF-LBPRGKRZSA-N 1 2 297.380 0.433 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@](C)(CC)C2=O)CC1 ZINC000490898075 332126739 /nfs/dbraw/zinc/12/67/39/332126739.db2.gz HQGVERCHJLZBOL-OAHLLOKOSA-N 1 2 277.368 0.370 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000490987280 332136719 /nfs/dbraw/zinc/13/67/19/332136719.db2.gz YRFFGROEGRNCMJ-VIFPVBQESA-N 1 2 255.318 0.438 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000491068023 332144925 /nfs/dbraw/zinc/14/49/25/332144925.db2.gz MDLLWRQDWYSCTO-AWEZNQCLSA-N 1 2 280.368 0.837 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491209210 332165863 /nfs/dbraw/zinc/16/58/63/332165863.db2.gz CZJLMDCAOSYYNT-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491209210 332165864 /nfs/dbraw/zinc/16/58/64/332165864.db2.gz CZJLMDCAOSYYNT-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491625103 332249059 /nfs/dbraw/zinc/24/90/59/332249059.db2.gz HPDVSBBVYJQCCD-ZDUSSCGKSA-N 1 2 284.319 0.878 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000491695886 332291397 /nfs/dbraw/zinc/29/13/97/332291397.db2.gz OSMQQLGDMPRDGZ-LBPRGKRZSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000491695886 332291399 /nfs/dbraw/zinc/29/13/99/332291399.db2.gz OSMQQLGDMPRDGZ-LBPRGKRZSA-N 1 2 250.342 0.927 20 30 CCEDLO C#CC[C@@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OC ZINC000496616523 332554819 /nfs/dbraw/zinc/55/48/19/332554819.db2.gz ISKLSLOUMHWSGU-GFCCVEGCSA-N 1 2 282.340 0.762 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ncc(CC)o2)CC1 ZINC000525270345 333406199 /nfs/dbraw/zinc/40/61/99/333406199.db2.gz DINJFXLLYNBRMI-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000076570674 334084753 /nfs/dbraw/zinc/08/47/53/334084753.db2.gz REVPYNHFXHJENW-VXGBXAGGSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000076570674 334084754 /nfs/dbraw/zinc/08/47/54/334084754.db2.gz REVPYNHFXHJENW-VXGBXAGGSA-N 1 2 280.372 0.334 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000548866197 334177498 /nfs/dbraw/zinc/17/74/98/334177498.db2.gz DNDYDSNDKCELLM-GFCCVEGCSA-N 1 2 270.336 0.827 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCOCC1 ZINC000567995078 334782601 /nfs/dbraw/zinc/78/26/01/334782601.db2.gz AGUAYZDFSMZSOA-CYBMUJFWSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000577078236 335296428 /nfs/dbraw/zinc/29/64/28/335296428.db2.gz VPSBNRGFLFOWRL-JTQLQIEISA-N 1 2 266.345 0.965 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2nccnc2c1 ZINC000578993274 335697037 /nfs/dbraw/zinc/69/70/37/335697037.db2.gz VCGYSVWNKAJFEN-AWEZNQCLSA-N 1 2 284.323 0.598 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000581943587 336174126 /nfs/dbraw/zinc/17/41/26/336174126.db2.gz NSHNBANFLXIBLI-GFCCVEGCSA-N 1 2 298.343 0.275 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(C#N)c1 ZINC000354588061 524791895 /nfs/dbraw/zinc/79/18/95/524791895.db2.gz UZNATTKBVHDSCJ-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO COC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000496506283 536428934 /nfs/dbraw/zinc/42/89/34/536428934.db2.gz SSHLEZQIOOHFDL-UHFFFAOYSA-N 1 2 262.313 0.781 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2CC(=O)OC)C1=O ZINC000347451521 526509268 /nfs/dbraw/zinc/50/92/68/526509268.db2.gz OLFKVNNWCKIZGV-RYUDHWBXSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2CC(=O)OC)C1=O ZINC000347451521 526509273 /nfs/dbraw/zinc/50/92/73/526509273.db2.gz OLFKVNNWCKIZGV-RYUDHWBXSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756187 526529338 /nfs/dbraw/zinc/52/93/38/526529338.db2.gz ODTUUGOGDGGWSH-WPRPVWTQSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756187 526529343 /nfs/dbraw/zinc/52/93/43/526529343.db2.gz ODTUUGOGDGGWSH-WPRPVWTQSA-N 1 2 266.263 0.676 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332668647 526636537 /nfs/dbraw/zinc/63/65/37/526636537.db2.gz BBDRODVIWFPHNI-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332668647 526636539 /nfs/dbraw/zinc/63/65/39/526636539.db2.gz BBDRODVIWFPHNI-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)C2CC2)c1 ZINC000147418762 526729703 /nfs/dbraw/zinc/72/97/03/526729703.db2.gz GQGKKPLXMGKFOD-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)C2CC2)c1 ZINC000147418762 526729710 /nfs/dbraw/zinc/72/97/10/526729710.db2.gz GQGKKPLXMGKFOD-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000350457947 527199865 /nfs/dbraw/zinc/19/98/65/527199865.db2.gz IWAQRCQHPFAWTA-GHMZBOCLSA-N 1 2 264.329 0.434 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355084754 527396524 /nfs/dbraw/zinc/39/65/24/527396524.db2.gz XAZNHLPRKYZRFZ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355084754 527396530 /nfs/dbraw/zinc/39/65/30/527396530.db2.gz XAZNHLPRKYZRFZ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000329047730 527716333 /nfs/dbraw/zinc/71/63/33/527716333.db2.gz JYFQGGSSIZVYQS-QWHCGFSZSA-N 1 2 285.388 0.384 20 30 CCEDLO CCN(C)C(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000358226123 527727610 /nfs/dbraw/zinc/72/76/10/527727610.db2.gz CQPPIWUCQBFICY-ZDUSSCGKSA-N 1 2 274.324 0.153 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000355086166 535989045 /nfs/dbraw/zinc/98/90/45/535989045.db2.gz ZDYARAXUKIVMNY-UHFFFAOYSA-N 1 2 299.378 0.696 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2nccnc2C#N)CCO1 ZINC000362661019 536151326 /nfs/dbraw/zinc/15/13/26/536151326.db2.gz BWINHWPQZQUHSF-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2nccnc2C#N)CCO1 ZINC000362661019 536151330 /nfs/dbraw/zinc/15/13/30/536151330.db2.gz BWINHWPQZQUHSF-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO C#Cc1ccc(C(=O)O[C@H](C)C[NH+]2CCOCC2)nc1 ZINC000782263731 581143611 /nfs/dbraw/zinc/14/36/11/581143611.db2.gz DEJDMURBAUXXQH-GFCCVEGCSA-N 1 2 274.320 0.940 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519221 581150729 /nfs/dbraw/zinc/15/07/29/581150729.db2.gz YUOAPCNGDTUWCA-HNNXBMFYSA-N 1 2 299.374 0.469 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519221 581150730 /nfs/dbraw/zinc/15/07/30/581150730.db2.gz YUOAPCNGDTUWCA-HNNXBMFYSA-N 1 2 299.374 0.469 20 30 CCEDLO C#CCOCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790137861 581178039 /nfs/dbraw/zinc/17/80/39/581178039.db2.gz XCRCEFDILWQUCF-ZDUSSCGKSA-N 1 2 268.357 0.205 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCOCC2)O1 ZINC000790360134 581185441 /nfs/dbraw/zinc/18/54/41/581185441.db2.gz DAIPLDHIGZAJBB-LBPRGKRZSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCOCC2)O1 ZINC000790360134 581185443 /nfs/dbraw/zinc/18/54/43/581185443.db2.gz DAIPLDHIGZAJBB-LBPRGKRZSA-N 1 2 281.356 0.286 20 30 CCEDLO C=C(CO)C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000791302715 581213394 /nfs/dbraw/zinc/21/33/94/581213394.db2.gz YQUOJBPXLHGUNR-LBPRGKRZSA-N 1 2 296.392 0.786 20 30 CCEDLO C=C(CO)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000791333927 581215906 /nfs/dbraw/zinc/21/59/06/581215906.db2.gz SREHUBUEMCSZKC-UHFFFAOYSA-N 1 2 289.379 0.921 20 30 CCEDLO COC(=O)c1cccc(CO[NH+]=C(N)CCO)c1C#N ZINC000780127552 581220694 /nfs/dbraw/zinc/22/06/94/581220694.db2.gz FFTRBLQZJZKPTF-UHFFFAOYSA-N 1 2 277.280 0.726 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000780940985 581250986 /nfs/dbraw/zinc/25/09/86/581250986.db2.gz SPWJHXATJVCSIN-CYBMUJFWSA-N 1 2 270.292 0.674 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000780942896 581251631 /nfs/dbraw/zinc/25/16/31/581251631.db2.gz FCVCAMAXTSYGRR-AWEZNQCLSA-N 1 2 282.303 0.872 20 30 CCEDLO C#CCN(CC#CC)CC#CC[N@H+](CC#C)CC#CC ZINC000792867725 581274336 /nfs/dbraw/zinc/27/43/36/581274336.db2.gz QVQFDOAYGOGJRO-UHFFFAOYSA-N 1 2 264.372 0.907 20 30 CCEDLO C#CCN(CC#CC)CC#CC[N@@H+](CC#C)CC#CC ZINC000792867725 581274339 /nfs/dbraw/zinc/27/43/39/581274339.db2.gz QVQFDOAYGOGJRO-UHFFFAOYSA-N 1 2 264.372 0.907 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC000793494017 581301051 /nfs/dbraw/zinc/30/10/51/581301051.db2.gz RKKHHMKCNATPCZ-OLZOCXBDSA-N 1 2 252.358 0.825 20 30 CCEDLO COCC[N@H+](Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCOC1 ZINC000782960558 581328748 /nfs/dbraw/zinc/32/87/48/581328748.db2.gz GWDNCJPTBOJWIG-CYBMUJFWSA-N 1 2 291.351 0.723 20 30 CCEDLO COCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCOC1 ZINC000782960558 581328751 /nfs/dbraw/zinc/32/87/51/581328751.db2.gz GWDNCJPTBOJWIG-CYBMUJFWSA-N 1 2 291.351 0.723 20 30 CCEDLO C=CCS(=O)(=O)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000782963534 581329356 /nfs/dbraw/zinc/32/93/56/581329356.db2.gz MGXGXZKJVLOVLT-UHFFFAOYSA-N 1 2 285.373 0.259 20 30 CCEDLO C=CCS(=O)(=O)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000782963534 581329358 /nfs/dbraw/zinc/32/93/58/581329358.db2.gz MGXGXZKJVLOVLT-UHFFFAOYSA-N 1 2 285.373 0.259 20 30 CCEDLO C[C@H](CC#N)N(C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783975665 581369132 /nfs/dbraw/zinc/36/91/32/581369132.db2.gz CMOUOXYWYDJAJN-VXGBXAGGSA-N 1 2 275.356 0.927 20 30 CCEDLO Cc1ccnc(N2CC[NH+](CC[S@@](C)=O)CC2)c1C#N ZINC000784164293 581375152 /nfs/dbraw/zinc/37/51/52/581375152.db2.gz ZCKBKDMZUULREU-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CCOCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000784551074 581388580 /nfs/dbraw/zinc/38/85/80/581388580.db2.gz UTKFVQXEFXQCMQ-UHFFFAOYSA-N 1 2 276.340 0.949 20 30 CCEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784866322 581396673 /nfs/dbraw/zinc/39/66/73/581396673.db2.gz ROYBITUVAPZBQA-UHFFFAOYSA-N 1 2 298.346 0.490 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000785408140 581408243 /nfs/dbraw/zinc/40/82/43/581408243.db2.gz BYPAGMUBGNLASS-AWEZNQCLSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000785408140 581408245 /nfs/dbraw/zinc/40/82/45/581408245.db2.gz BYPAGMUBGNLASS-AWEZNQCLSA-N 1 2 267.373 0.608 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000787774584 581477810 /nfs/dbraw/zinc/47/78/10/581477810.db2.gz MCOWOHXTKQUJTO-CYBMUJFWSA-N 1 2 269.304 0.404 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000787774584 581477811 /nfs/dbraw/zinc/47/78/11/581477811.db2.gz MCOWOHXTKQUJTO-CYBMUJFWSA-N 1 2 269.304 0.404 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCCC(=O)OC ZINC000733783275 581525205 /nfs/dbraw/zinc/52/52/05/581525205.db2.gz DBJQUPOGPBGTNB-LBPRGKRZSA-N 1 2 298.408 0.497 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCCC(=O)OC ZINC000733783275 581525208 /nfs/dbraw/zinc/52/52/08/581525208.db2.gz DBJQUPOGPBGTNB-LBPRGKRZSA-N 1 2 298.408 0.497 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOC)CC2)cn1 ZINC000728982778 581526505 /nfs/dbraw/zinc/52/65/05/581526505.db2.gz OBZMQCLYPXOLOZ-UHFFFAOYSA-N 1 2 273.336 0.467 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](OC)c2ccc(O)cc2)CC1 ZINC000765983005 581544276 /nfs/dbraw/zinc/54/42/76/581544276.db2.gz OTNBALWSXBNJMS-OAHLLOKOSA-N 1 2 288.347 0.857 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCNC2=O)c1 ZINC000766856328 581583698 /nfs/dbraw/zinc/58/36/98/581583698.db2.gz USLMAROXMROXRF-CQSZACIVSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCNC2=O)c1 ZINC000766856328 581583702 /nfs/dbraw/zinc/58/37/02/581583702.db2.gz USLMAROXMROXRF-CQSZACIVSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cn(C)c(=O)cc1C ZINC000754345583 581587055 /nfs/dbraw/zinc/58/70/55/581587055.db2.gz JDFYFVRZNHFKIY-ZDUSSCGKSA-N 1 2 273.336 0.730 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cn(C)c(=O)cc1C ZINC000754345583 581587057 /nfs/dbraw/zinc/58/70/57/581587057.db2.gz JDFYFVRZNHFKIY-ZDUSSCGKSA-N 1 2 273.336 0.730 20 30 CCEDLO C=CC[C@@H](C)NC(=S)NCC[NH+]1CCOCC1 ZINC000734985494 581599918 /nfs/dbraw/zinc/59/99/18/581599918.db2.gz FUEGQYJBTDJRBM-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO N#CC1(C(=O)OCC[NH+]2CCOCC2)CCOCC1 ZINC000767402811 581611407 /nfs/dbraw/zinc/61/14/07/581611407.db2.gz XACYICXJDHZCPU-UHFFFAOYSA-N 1 2 268.313 0.182 20 30 CCEDLO Cn1cc[nH+]c1CNc1cccc(S(N)(=O)=O)c1C#N ZINC000754993850 581619588 /nfs/dbraw/zinc/61/95/88/581619588.db2.gz RWOPHCUNKUOJBN-UHFFFAOYSA-N 1 2 291.336 0.551 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787514362 581637985 /nfs/dbraw/zinc/63/79/85/581637985.db2.gz RHUYDOGAMSOHOE-LBPRGKRZSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787514362 581637986 /nfs/dbraw/zinc/63/79/86/581637986.db2.gz RHUYDOGAMSOHOE-LBPRGKRZSA-N 1 2 286.397 0.330 20 30 CCEDLO CN(C)c1ncc(C=[NH+]N[C@H]2CCS(=O)(=O)C2)s1 ZINC000755454497 581641157 /nfs/dbraw/zinc/64/11/57/581641157.db2.gz GCMOGFARUGLDNT-QMMMGPOBSA-N 1 2 288.398 0.320 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C2CC2)no1 ZINC000730098442 581645765 /nfs/dbraw/zinc/64/57/65/581645765.db2.gz DSLLPIXGSHACTA-NSHDSACASA-N 1 2 274.324 0.661 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C2CC2)no1 ZINC000730098442 581645766 /nfs/dbraw/zinc/64/57/66/581645766.db2.gz DSLLPIXGSHACTA-NSHDSACASA-N 1 2 274.324 0.661 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000730097790 581645806 /nfs/dbraw/zinc/64/58/06/581645806.db2.gz KVUSSVLANCAPGW-HNNXBMFYSA-N 1 2 299.374 0.517 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000730097790 581645807 /nfs/dbraw/zinc/64/58/07/581645807.db2.gz KVUSSVLANCAPGW-HNNXBMFYSA-N 1 2 299.374 0.517 20 30 CCEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000730262289 581688020 /nfs/dbraw/zinc/68/80/20/581688020.db2.gz RRXRPXCKSBHWSI-NSHDSACASA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000730262289 581688023 /nfs/dbraw/zinc/68/80/23/581688023.db2.gz RRXRPXCKSBHWSI-NSHDSACASA-N 1 2 296.371 0.615 20 30 CCEDLO CSCCNC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000769606363 581697678 /nfs/dbraw/zinc/69/76/78/581697678.db2.gz ZRHBOPUTANUJPR-UHFFFAOYSA-N 1 2 272.443 0.895 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000770005164 581722309 /nfs/dbraw/zinc/72/23/09/581722309.db2.gz YNQBFUPHBVMLCU-HNNXBMFYSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000770005164 581722312 /nfs/dbraw/zinc/72/23/12/581722312.db2.gz YNQBFUPHBVMLCU-HNNXBMFYSA-N 1 2 280.368 0.934 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770666631 581760417 /nfs/dbraw/zinc/76/04/17/581760417.db2.gz RJRNYDRLPXQVSR-MJBXVCDLSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770666631 581760419 /nfs/dbraw/zinc/76/04/19/581760419.db2.gz RJRNYDRLPXQVSR-MJBXVCDLSA-N 1 2 290.319 0.200 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000758738376 581767030 /nfs/dbraw/zinc/76/70/30/581767030.db2.gz KJCSPTPDNDRQKC-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000758738376 581767033 /nfs/dbraw/zinc/76/70/33/581767033.db2.gz KJCSPTPDNDRQKC-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000742197631 581772652 /nfs/dbraw/zinc/77/26/52/581772652.db2.gz XEIDRESGCGVYPJ-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO CC/N=C1/NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000743276909 581806473 /nfs/dbraw/zinc/80/64/73/581806473.db2.gz CTFYOKMEQWGTOM-VIFPVBQESA-N 1 2 286.401 0.052 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000732203897 581809138 /nfs/dbraw/zinc/80/91/38/581809138.db2.gz LEDANJPNRZBABD-CYBMUJFWSA-N 1 2 280.372 0.604 20 30 CCEDLO C=CCSCCNC(=S)NCC[NH+]1CCOCC1 ZINC000745019050 581861664 /nfs/dbraw/zinc/86/16/64/581861664.db2.gz JVBSAHIIPUJKAB-UHFFFAOYSA-N 1 2 289.470 0.702 20 30 CCEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000745098361 581865865 /nfs/dbraw/zinc/86/58/65/581865865.db2.gz SWVODVDFBUVWMX-AWEZNQCLSA-N 1 2 289.335 0.862 20 30 CCEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000745098361 581865866 /nfs/dbraw/zinc/86/58/66/581865866.db2.gz SWVODVDFBUVWMX-AWEZNQCLSA-N 1 2 289.335 0.862 20 30 CCEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCCC#N)C2)[nH]1 ZINC000760958754 581881156 /nfs/dbraw/zinc/88/11/56/581881156.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)[nH]1 ZINC000760958754 581881158 /nfs/dbraw/zinc/88/11/58/581881158.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCCC#N)C2)n1 ZINC000760958754 581881161 /nfs/dbraw/zinc/88/11/61/581881161.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)n1 ZINC000760958754 581881163 /nfs/dbraw/zinc/88/11/63/581881163.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCCC#N)C2)n[nH]1 ZINC000760958754 581881165 /nfs/dbraw/zinc/88/11/65/581881165.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)n[nH]1 ZINC000760958754 581881166 /nfs/dbraw/zinc/88/11/66/581881166.db2.gz ATPCUWYQGAOQOD-LLVKDONJSA-N 1 2 276.344 0.322 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)OC ZINC000760967223 581881746 /nfs/dbraw/zinc/88/17/46/581881746.db2.gz XIPCQNDWNAYUCI-STQMWFEESA-N 1 2 280.368 0.932 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)OC ZINC000760967223 581881748 /nfs/dbraw/zinc/88/17/48/581881748.db2.gz XIPCQNDWNAYUCI-STQMWFEESA-N 1 2 280.368 0.932 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000760970589 581881809 /nfs/dbraw/zinc/88/18/09/581881809.db2.gz GOVYLFKZWXOKRN-CYBMUJFWSA-N 1 2 293.298 0.997 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000760970589 581881812 /nfs/dbraw/zinc/88/18/12/581881812.db2.gz GOVYLFKZWXOKRN-CYBMUJFWSA-N 1 2 293.298 0.997 20 30 CCEDLO CS(=O)(=O)CCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000733205916 581891326 /nfs/dbraw/zinc/89/13/26/581891326.db2.gz RLRPOZGZISTTND-UHFFFAOYSA-N 1 2 296.396 0.672 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000746192410 581899034 /nfs/dbraw/zinc/89/90/34/581899034.db2.gz VKWQOCMQHCUHAS-UHFFFAOYSA-N 1 2 273.336 0.464 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000746303768 581908726 /nfs/dbraw/zinc/90/87/26/581908726.db2.gz VJYJKPJNJCPDLF-VHSXEESVSA-N 1 2 266.370 0.782 20 30 CCEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)C(F)(F)F ZINC000761749084 581919060 /nfs/dbraw/zinc/91/90/60/581919060.db2.gz RURLONYWZTZYEP-UHFFFAOYSA-N 1 2 298.334 0.721 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC000746852794 581925200 /nfs/dbraw/zinc/92/52/00/581925200.db2.gz NVUKEPYJKINVGN-OAHLLOKOSA-N 1 2 277.368 0.022 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1c[nH+]c[nH]1 ZINC000762223142 581936234 /nfs/dbraw/zinc/93/62/34/581936234.db2.gz OZCOWWGLHHINNB-UHFFFAOYSA-N 1 2 269.260 0.806 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1c[nH]c[nH+]1 ZINC000762223142 581936235 /nfs/dbraw/zinc/93/62/35/581936235.db2.gz OZCOWWGLHHINNB-UHFFFAOYSA-N 1 2 269.260 0.806 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773980223 581951009 /nfs/dbraw/zinc/95/10/09/581951009.db2.gz PAEOXFYSNMFACY-MNOVXSKESA-N 1 2 281.381 0.435 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773980223 581951012 /nfs/dbraw/zinc/95/10/12/581951012.db2.gz PAEOXFYSNMFACY-MNOVXSKESA-N 1 2 281.381 0.435 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)[C@H]1CCCO1 ZINC000775344267 582020115 /nfs/dbraw/zinc/02/01/15/582020115.db2.gz GBGSCRGXGLYXJV-JKSUJKDBSA-N 1 2 297.362 0.992 20 30 CCEDLO CCOc1cccc(/C=[NH+]\Cc2nnn(C)n2)c1O ZINC000775741293 582035977 /nfs/dbraw/zinc/03/59/77/582035977.db2.gz QJRKKKMLEBMRMP-QPEQYQDCSA-N 1 2 261.285 0.934 20 30 CCEDLO C#CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000851957642 612983602 /nfs/dbraw/zinc/98/36/02/612983602.db2.gz RQPTXZLIOXAHBF-ZDUSSCGKSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000851957642 612983605 /nfs/dbraw/zinc/98/36/05/612983605.db2.gz RQPTXZLIOXAHBF-ZDUSSCGKSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000854141463 612987600 /nfs/dbraw/zinc/98/76/00/612987600.db2.gz ZSQAOTMYDBRRNB-UHFFFAOYSA-N 1 2 278.356 0.644 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csnn2)C1 ZINC000951004308 612993476 /nfs/dbraw/zinc/99/34/76/612993476.db2.gz GPPQYCVVJSPTKJ-UHFFFAOYSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000828786586 612950120 /nfs/dbraw/zinc/95/01/20/612950120.db2.gz JKJKTNCDWVYEEN-QWRGUYRKSA-N 1 2 271.311 0.150 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000828786586 612950122 /nfs/dbraw/zinc/95/01/22/612950122.db2.gz JKJKTNCDWVYEEN-QWRGUYRKSA-N 1 2 271.311 0.150 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000931141665 612952931 /nfs/dbraw/zinc/95/29/31/612952931.db2.gz FCZUVCWNIDCYAA-SECBINFHSA-N 1 2 278.274 0.514 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919982122 613050713 /nfs/dbraw/zinc/05/07/13/613050713.db2.gz RJXQEBCPLYPFAX-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCCCn1cc[nH+]c1 ZINC000864405758 613063113 /nfs/dbraw/zinc/06/31/13/613063113.db2.gz PMCJPBTWAKTMLC-GFCCVEGCSA-N 1 2 264.329 0.611 20 30 CCEDLO C#CC1(O)CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000930504992 612957050 /nfs/dbraw/zinc/95/70/50/612957050.db2.gz GONRBOJQIYWWJZ-UHFFFAOYSA-N 1 2 274.324 0.668 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000890525129 612958212 /nfs/dbraw/zinc/95/82/12/612958212.db2.gz MDHWSZULDHXIHZ-STQMWFEESA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000890525129 612958213 /nfs/dbraw/zinc/95/82/13/612958213.db2.gz MDHWSZULDHXIHZ-STQMWFEESA-N 1 2 280.368 0.082 20 30 CCEDLO COc1cc2c(cc1F)C(=NNC1=[NH+]C[C@@H](C)N1)C(=O)N2 ZINC000834969375 617218472 /nfs/dbraw/zinc/21/84/72/617218472.db2.gz GQHABNUPPRWVII-ZCFIWIBFSA-N 1 2 291.286 0.428 20 30 CCEDLO C#CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000844045767 612964018 /nfs/dbraw/zinc/96/40/18/612964018.db2.gz OICOSMYQAAXQBW-ZDUSSCGKSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000857275733 612966621 /nfs/dbraw/zinc/96/66/21/612966621.db2.gz WORTXDVVZJFWEU-INIZCTEOSA-N 1 2 288.391 0.972 20 30 CCEDLO C#CCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852201590 612977386 /nfs/dbraw/zinc/97/73/86/612977386.db2.gz IFFRPQGLHRUGIZ-CQSZACIVSA-N 1 2 279.384 0.906 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000852166818 612982960 /nfs/dbraw/zinc/98/29/60/612982960.db2.gz TWUBJXUKJFASDJ-UHFFFAOYSA-N 1 2 296.367 0.122 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(C(N)=O)c2)C1 ZINC000950979390 612993063 /nfs/dbraw/zinc/99/30/63/612993063.db2.gz MCJRVIUEZGUZMD-UHFFFAOYSA-N 1 2 289.335 0.548 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000842236414 613047614 /nfs/dbraw/zinc/04/76/14/613047614.db2.gz ODTYVAOQJDZKMK-NSHDSACASA-N 1 2 272.308 0.827 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919982122 613050711 /nfs/dbraw/zinc/05/07/11/613050711.db2.gz RJXQEBCPLYPFAX-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCCn1cc[nH+]c1 ZINC000858272926 613050985 /nfs/dbraw/zinc/05/09/85/613050985.db2.gz PIDXVITWDHARMM-GFCCVEGCSA-N 1 2 264.329 0.611 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)CC(=O)OCC)n1 ZINC000859283354 613078609 /nfs/dbraw/zinc/07/86/09/613078609.db2.gz RMSDZWDKYKMVQD-AWEZNQCLSA-N 1 2 293.367 0.652 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)CC(=O)OCC)n1 ZINC000859283354 613078611 /nfs/dbraw/zinc/07/86/11/613078611.db2.gz RMSDZWDKYKMVQD-AWEZNQCLSA-N 1 2 293.367 0.652 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000854076802 613083101 /nfs/dbraw/zinc/08/31/01/613083101.db2.gz ZHBNKUQYOYSSPO-STQMWFEESA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCOCC1 ZINC000856102453 613092083 /nfs/dbraw/zinc/09/20/83/613092083.db2.gz CLVCNDSNFYRUGC-CQSZACIVSA-N 1 2 275.352 0.897 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000811904843 613096937 /nfs/dbraw/zinc/09/69/37/613096937.db2.gz OIVLXPXGNYPNJE-NEPJUHHUSA-N 1 2 262.313 0.400 20 30 CCEDLO C#C[C@@H]([C@@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804178710 613101137 /nfs/dbraw/zinc/10/11/37/613101137.db2.gz VPNTUKMIBHBPHR-SRVKXCTJSA-N 1 2 288.307 0.053 20 30 CCEDLO C#C[C@@H]([C@@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804178710 613101139 /nfs/dbraw/zinc/10/11/39/613101139.db2.gz VPNTUKMIBHBPHR-SRVKXCTJSA-N 1 2 288.307 0.053 20 30 CCEDLO C#CC[N@@H+](CN1C[C@@H](C(=O)OC)OC1=O)C(C)C ZINC000905748190 613108160 /nfs/dbraw/zinc/10/81/60/613108160.db2.gz HCZDAUGDMDIGMQ-JTQLQIEISA-N 1 2 254.286 0.281 20 30 CCEDLO C#CC[N@H+](CN1C[C@@H](C(=O)OC)OC1=O)C(C)C ZINC000905748190 613108162 /nfs/dbraw/zinc/10/81/62/613108162.db2.gz HCZDAUGDMDIGMQ-JTQLQIEISA-N 1 2 254.286 0.281 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000951729135 613110116 /nfs/dbraw/zinc/11/01/16/613110116.db2.gz BBZHBYAARJRAMX-CYBMUJFWSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ocnc3C)CC2)C1 ZINC000941363009 613116350 /nfs/dbraw/zinc/11/63/50/613116350.db2.gz KLZXNUNJZAMUGS-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](CCC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935623219 613124178 /nfs/dbraw/zinc/12/41/78/613124178.db2.gz BIBNKPASOMAWMZ-KFWWJZLASA-N 1 2 294.395 0.784 20 30 CCEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000867499694 613131380 /nfs/dbraw/zinc/13/13/80/613131380.db2.gz OFXMOYAWPHXWCG-VOIRRYAFSA-N 1 2 278.352 0.172 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)CS(=O)(=O)CCC)CC1 ZINC000928657733 613133402 /nfs/dbraw/zinc/13/34/02/613133402.db2.gz WEYMVZODCRBYDS-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000928648074 613133597 /nfs/dbraw/zinc/13/35/97/613133597.db2.gz FHXNWFFQPTYVMI-ZDUSSCGKSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cncc(F)c2)CC1 ZINC000921439920 613138638 /nfs/dbraw/zinc/13/86/38/613138638.db2.gz NDQRNBPSVCGBQR-UHFFFAOYSA-N 1 2 297.355 0.597 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000847757893 613145256 /nfs/dbraw/zinc/14/52/56/613145256.db2.gz GARQSCOVXFRXIM-WCFLWFBJSA-N 1 2 261.325 0.885 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000847757893 613145259 /nfs/dbraw/zinc/14/52/59/613145259.db2.gz GARQSCOVXFRXIM-WCFLWFBJSA-N 1 2 261.325 0.885 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000981231673 613158346 /nfs/dbraw/zinc/15/83/46/613158346.db2.gz NSBYYQDPUIYTPG-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000981231673 613158348 /nfs/dbraw/zinc/15/83/48/613158348.db2.gz NSBYYQDPUIYTPG-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231673 613158351 /nfs/dbraw/zinc/15/83/51/613158351.db2.gz NSBYYQDPUIYTPG-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231673 613158354 /nfs/dbraw/zinc/15/83/54/613158354.db2.gz NSBYYQDPUIYTPG-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)P(=O)(OCC)OCC ZINC000852162425 613163037 /nfs/dbraw/zinc/16/30/37/613163037.db2.gz JSOGDPVLXYRJAK-RYUDHWBXSA-N 1 2 291.284 0.905 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)P(=O)(OCC)OCC ZINC000852162425 613163038 /nfs/dbraw/zinc/16/30/38/613163038.db2.gz JSOGDPVLXYRJAK-RYUDHWBXSA-N 1 2 291.284 0.905 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)c2cccn2C)C1 ZINC000923560342 613165083 /nfs/dbraw/zinc/16/50/83/613165083.db2.gz TXEHKWBHCSQKFV-GFCCVEGCSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)c2cccn2C)C1 ZINC000923560342 613165085 /nfs/dbraw/zinc/16/50/85/613165085.db2.gz TXEHKWBHCSQKFV-GFCCVEGCSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC000923574043 613165242 /nfs/dbraw/zinc/16/52/42/613165242.db2.gz CVTVISJFSJXTLR-LLVKDONJSA-N 1 2 250.342 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC000923574043 613165244 /nfs/dbraw/zinc/16/52/44/613165244.db2.gz CVTVISJFSJXTLR-LLVKDONJSA-N 1 2 250.342 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)C2CCSCC2)C1 ZINC000902728753 613165256 /nfs/dbraw/zinc/16/52/56/613165256.db2.gz BBDCBCGLDGGMBG-CYBMUJFWSA-N 1 2 294.420 0.913 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)C2CCSCC2)C1 ZINC000902728753 613165258 /nfs/dbraw/zinc/16/52/58/613165258.db2.gz BBDCBCGLDGGMBG-CYBMUJFWSA-N 1 2 294.420 0.913 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCCO)C2)nc1 ZINC000957294803 613167090 /nfs/dbraw/zinc/16/70/90/613167090.db2.gz RCCNQQCRQBPMGR-UHFFFAOYSA-N 1 2 287.363 0.592 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2C)C1 ZINC000884205062 613169248 /nfs/dbraw/zinc/16/92/48/613169248.db2.gz LJMMVKVOPFJJFX-CQSZACIVSA-N 1 2 289.383 0.588 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000854727529 613169260 /nfs/dbraw/zinc/16/92/60/613169260.db2.gz LDXYGEPCKCODKA-HNNXBMFYSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CCC2)C1 ZINC000885509030 613175598 /nfs/dbraw/zinc/17/55/98/613175598.db2.gz OVBYZLGVQRPFJN-LLVKDONJSA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2CCC2)C1 ZINC000885509030 613175599 /nfs/dbraw/zinc/17/55/99/613175599.db2.gz OVBYZLGVQRPFJN-LLVKDONJSA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCCC)C1 ZINC000885513961 613175914 /nfs/dbraw/zinc/17/59/14/613175914.db2.gz LNGPQMSTFAGVLP-CYBMUJFWSA-N 1 2 287.429 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCCC)C1 ZINC000885513961 613175915 /nfs/dbraw/zinc/17/59/15/613175915.db2.gz LNGPQMSTFAGVLP-CYBMUJFWSA-N 1 2 287.429 0.650 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000855412008 613178515 /nfs/dbraw/zinc/17/85/15/613178515.db2.gz ROVLBXWAKATXCB-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000855412008 613178517 /nfs/dbraw/zinc/17/85/17/613178517.db2.gz ROVLBXWAKATXCB-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)NCCn2cc[nH+]c2C)C1 ZINC000884205061 613185785 /nfs/dbraw/zinc/18/57/85/613185785.db2.gz LJMMVKVOPFJJFX-AWEZNQCLSA-N 1 2 289.383 0.588 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2)C1 ZINC000885511254 613193046 /nfs/dbraw/zinc/19/30/46/613193046.db2.gz DJCWHSSTJTVWHR-ZDUSSCGKSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2)C1 ZINC000885511254 613193047 /nfs/dbraw/zinc/19/30/47/613193047.db2.gz DJCWHSSTJTVWHR-ZDUSSCGKSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000885511715 613193074 /nfs/dbraw/zinc/19/30/74/613193074.db2.gz LVQNKTVDCPVFIB-AGIUHOORSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000885511715 613193075 /nfs/dbraw/zinc/19/30/75/613193075.db2.gz LVQNKTVDCPVFIB-AGIUHOORSA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000885512218 613193239 /nfs/dbraw/zinc/19/32/39/613193239.db2.gz UHSYOFATVZUXRC-STQMWFEESA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000885512218 613193241 /nfs/dbraw/zinc/19/32/41/613193241.db2.gz UHSYOFATVZUXRC-STQMWFEESA-N 1 2 285.413 0.403 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCF)C(=O)OC ZINC000846431151 613200496 /nfs/dbraw/zinc/20/04/96/613200496.db2.gz IMSSHWZZHSWESL-QWRGUYRKSA-N 1 2 270.304 0.101 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCF)C(=O)OC ZINC000846431151 613200498 /nfs/dbraw/zinc/20/04/98/613200498.db2.gz IMSSHWZZHSWESL-QWRGUYRKSA-N 1 2 270.304 0.101 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000129573852 613201654 /nfs/dbraw/zinc/20/16/54/613201654.db2.gz SWOIICJDDYJPHF-UHFFFAOYSA-N 1 2 297.358 0.913 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CCF)c1 ZINC000862810629 613203424 /nfs/dbraw/zinc/20/34/24/613203424.db2.gz UPBGWHUZDXZJSH-LBPRGKRZSA-N 1 2 264.304 0.889 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CCF)c1 ZINC000862810629 613203425 /nfs/dbraw/zinc/20/34/25/613203425.db2.gz UPBGWHUZDXZJSH-LBPRGKRZSA-N 1 2 264.304 0.889 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)[C@H](C)O)c1 ZINC000929290314 613203781 /nfs/dbraw/zinc/20/37/81/613203781.db2.gz QKDMMZRMOLCYKD-FZMZJTMJSA-N 1 2 276.336 0.280 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)[C@H](C)O)c1 ZINC000929290314 613203783 /nfs/dbraw/zinc/20/37/83/613203783.db2.gz QKDMMZRMOLCYKD-FZMZJTMJSA-N 1 2 276.336 0.280 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000856809809 613209829 /nfs/dbraw/zinc/20/98/29/613209829.db2.gz HTMLSTVGAKOXAI-UHFFFAOYSA-N 1 2 261.300 0.680 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000949307716 613210568 /nfs/dbraw/zinc/21/05/68/613210568.db2.gz PKMBBRWOVLLHTF-AWEZNQCLSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000949307716 613210569 /nfs/dbraw/zinc/21/05/69/613210569.db2.gz PKMBBRWOVLLHTF-AWEZNQCLSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319927 613212207 /nfs/dbraw/zinc/21/22/07/613212207.db2.gz MYOHDUIDFYXVDP-XJKSGUPXSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319927 613212209 /nfs/dbraw/zinc/21/22/09/613212209.db2.gz MYOHDUIDFYXVDP-XJKSGUPXSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972502136 613212931 /nfs/dbraw/zinc/21/29/31/613212931.db2.gz MCNAYUCOGNVZNI-TZMCWYRMSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972502136 613212932 /nfs/dbraw/zinc/21/29/32/613212932.db2.gz MCNAYUCOGNVZNI-TZMCWYRMSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965032158 613222043 /nfs/dbraw/zinc/22/20/43/613222043.db2.gz LDPDZVQCUCALQG-MWLCHTKSSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965032158 613222044 /nfs/dbraw/zinc/22/20/44/613222044.db2.gz LDPDZVQCUCALQG-MWLCHTKSSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000669 613252331 /nfs/dbraw/zinc/25/23/31/613252331.db2.gz QRUMWVLHNMPBOU-CMPLNLGQSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000669 613252334 /nfs/dbraw/zinc/25/23/34/613252334.db2.gz QRUMWVLHNMPBOU-CMPLNLGQSA-N 1 2 275.356 0.115 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000950580885 613295055 /nfs/dbraw/zinc/29/50/55/613295055.db2.gz AJVWZEBMVYJGHD-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COCCN2CC)C1 ZINC000950680448 613295408 /nfs/dbraw/zinc/29/54/08/613295408.db2.gz ALNZMQVJSFQFDJ-OAHLLOKOSA-N 1 2 295.427 0.816 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c21 ZINC000962126602 613320136 /nfs/dbraw/zinc/32/01/36/613320136.db2.gz ZFDPHNOAMOCSLR-IMRBUKKESA-N 1 2 280.331 0.856 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c21 ZINC000962126602 613320137 /nfs/dbraw/zinc/32/01/37/613320137.db2.gz ZFDPHNOAMOCSLR-IMRBUKKESA-N 1 2 280.331 0.856 20 30 CCEDLO C#CCNc1nc(N2CC=CCC2)nc(N2CC=CCC2)[nH+]1 ZINC000804599239 613322281 /nfs/dbraw/zinc/32/22/81/613322281.db2.gz KRHXAFNIFXUQAZ-UHFFFAOYSA-N 1 2 296.378 0.871 20 30 CCEDLO C#CCNc1nc(N2CC=CCC2)[nH+]c(N2CC=CCC2)n1 ZINC000804599239 613322283 /nfs/dbraw/zinc/32/22/83/613322283.db2.gz KRHXAFNIFXUQAZ-UHFFFAOYSA-N 1 2 296.378 0.871 20 30 CCEDLO C=C(C)CONC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000845612606 613353202 /nfs/dbraw/zinc/35/32/02/613353202.db2.gz XZHCGNXVHWPQKK-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000895579226 613353317 /nfs/dbraw/zinc/35/33/17/613353317.db2.gz KITADAWGSOZKHT-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000895579226 613353318 /nfs/dbraw/zinc/35/33/18/613353318.db2.gz KITADAWGSOZKHT-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793904 613379966 /nfs/dbraw/zinc/37/99/66/613379966.db2.gz KNOQHWQZRDDVRC-SNVBAGLBSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793904 613379967 /nfs/dbraw/zinc/37/99/67/613379967.db2.gz KNOQHWQZRDDVRC-SNVBAGLBSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000957907030 613380872 /nfs/dbraw/zinc/38/08/72/613380872.db2.gz WDOHBQXBVUTIGX-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000957907030 613380873 /nfs/dbraw/zinc/38/08/73/613380873.db2.gz WDOHBQXBVUTIGX-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793903 613380969 /nfs/dbraw/zinc/38/09/69/613380969.db2.gz KNOQHWQZRDDVRC-JTQLQIEISA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793903 613380970 /nfs/dbraw/zinc/38/09/70/613380970.db2.gz KNOQHWQZRDDVRC-JTQLQIEISA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926551 613381060 /nfs/dbraw/zinc/38/10/60/613381060.db2.gz NIUKVGBMUCMFCJ-ONGXEEELSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926551 613381061 /nfs/dbraw/zinc/38/10/61/613381061.db2.gz NIUKVGBMUCMFCJ-ONGXEEELSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 ZINC000958495120 613381437 /nfs/dbraw/zinc/38/14/37/613381437.db2.gz VHPBASLMAPBMKV-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 ZINC000958495120 613381438 /nfs/dbraw/zinc/38/14/38/613381438.db2.gz VHPBASLMAPBMKV-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000878035917 613410647 /nfs/dbraw/zinc/41/06/47/613410647.db2.gz CKXDYQAHELOYSX-SNVBAGLBSA-N 1 2 255.318 0.191 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCN(C(N)=O)CC1 ZINC000878035917 613410648 /nfs/dbraw/zinc/41/06/48/613410648.db2.gz CKXDYQAHELOYSX-SNVBAGLBSA-N 1 2 255.318 0.191 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000878544364 613412979 /nfs/dbraw/zinc/41/29/79/613412979.db2.gz JHDUIWWDWATMBG-BZPMIXESSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000878544364 613412980 /nfs/dbraw/zinc/41/29/80/613412980.db2.gz JHDUIWWDWATMBG-BZPMIXESSA-N 1 2 269.341 0.984 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838116491 613460056 /nfs/dbraw/zinc/46/00/56/613460056.db2.gz VFSCYDYPEYLQHQ-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838116491 613460057 /nfs/dbraw/zinc/46/00/57/613460057.db2.gz VFSCYDYPEYLQHQ-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000868676025 613460791 /nfs/dbraw/zinc/46/07/91/613460791.db2.gz URGWENYMNOZEBG-NEPJUHHUSA-N 1 2 264.329 0.953 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913459594 613463593 /nfs/dbraw/zinc/46/35/93/613463593.db2.gz GFMKSFUWQAUTOT-MCIONIFRSA-N 1 2 290.367 0.484 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000924627066 613471933 /nfs/dbraw/zinc/47/19/33/613471933.db2.gz CMAJHQOFFKJRDE-STQMWFEESA-N 1 2 294.399 0.509 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000924627066 613471936 /nfs/dbraw/zinc/47/19/36/613471936.db2.gz CMAJHQOFFKJRDE-STQMWFEESA-N 1 2 294.399 0.509 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000845634984 613487474 /nfs/dbraw/zinc/48/74/74/613487474.db2.gz CZHWMJRZKFQICU-RYUDHWBXSA-N 1 2 270.377 0.428 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000941318965 613529764 /nfs/dbraw/zinc/52/97/64/613529764.db2.gz CLGIIBCGZCGKMX-CQSZACIVSA-N 1 2 277.412 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)C1 ZINC000941550081 613530143 /nfs/dbraw/zinc/53/01/43/613530143.db2.gz KTXARXUEBWRQKF-CABCVRRESA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC000941400995 613530179 /nfs/dbraw/zinc/53/01/79/613530179.db2.gz MJQGXNVHZXZUHX-ZDUSSCGKSA-N 1 2 297.349 0.493 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981026389 613556998 /nfs/dbraw/zinc/55/69/98/613556998.db2.gz DKLOWTXVIRGHEW-UHFFFAOYSA-N 1 2 273.336 0.958 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981026389 613557000 /nfs/dbraw/zinc/55/70/00/613557000.db2.gz DKLOWTXVIRGHEW-UHFFFAOYSA-N 1 2 273.336 0.958 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972361579 613570165 /nfs/dbraw/zinc/57/01/65/613570165.db2.gz HLXZUIKSXIRGJC-INIZCTEOSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972361579 613570167 /nfs/dbraw/zinc/57/01/67/613570167.db2.gz HLXZUIKSXIRGJC-INIZCTEOSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520195 613571607 /nfs/dbraw/zinc/57/16/07/613571607.db2.gz DKOHENDZWGOOKT-NEPJUHHUSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520195 613571609 /nfs/dbraw/zinc/57/16/09/613571609.db2.gz DKOHENDZWGOOKT-NEPJUHHUSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887073652 613590950 /nfs/dbraw/zinc/59/09/50/613590950.db2.gz DHLDPGLAGATOTP-QWRGUYRKSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887073652 613590948 /nfs/dbraw/zinc/59/09/48/613590948.db2.gz DHLDPGLAGATOTP-QWRGUYRKSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@H](O)C(F)(F)F)nn1 ZINC000850072338 613598934 /nfs/dbraw/zinc/59/89/34/613598934.db2.gz UAFJJRXKMSQEJC-VIFPVBQESA-N 1 2 264.251 0.867 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC2(C)OCCO2)nn1 ZINC000850234680 613599037 /nfs/dbraw/zinc/59/90/37/613599037.db2.gz ZJNFDWCERBKKQX-UHFFFAOYSA-N 1 2 252.318 0.707 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000959914053 613636656 /nfs/dbraw/zinc/63/66/56/613636656.db2.gz NJLKYPMBCMCAIL-UYHMYPTGSA-N 1 2 298.390 0.899 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000959914053 613636660 /nfs/dbraw/zinc/63/66/60/613636660.db2.gz NJLKYPMBCMCAIL-UYHMYPTGSA-N 1 2 298.390 0.899 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931409689 613648555 /nfs/dbraw/zinc/64/85/55/613648555.db2.gz CTUVIIKSSNQYHT-KBPBESRZSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931409689 613648556 /nfs/dbraw/zinc/64/85/56/613648556.db2.gz CTUVIIKSSNQYHT-KBPBESRZSA-N 1 2 281.400 0.184 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925612870 613651570 /nfs/dbraw/zinc/65/15/70/613651570.db2.gz VRNVVOOJAZARCN-ZIAGYGMSSA-N 1 2 297.399 0.171 20 30 CCEDLO CC(=[NH+]NCCS(C)(=O)=O)c1cc(F)c(N)c(F)c1 ZINC000814848269 613655845 /nfs/dbraw/zinc/65/58/45/613655845.db2.gz RESFZNNEFNVYJK-UHFFFAOYSA-N 1 2 291.323 0.905 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC000956972404 613657526 /nfs/dbraw/zinc/65/75/26/613657526.db2.gz VMHKAYGGDYPCLP-UHFFFAOYSA-N 1 2 290.367 0.596 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC000951722444 613658060 /nfs/dbraw/zinc/65/80/60/613658060.db2.gz FULQPDYPTNJBQF-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000970905844 613661912 /nfs/dbraw/zinc/66/19/12/613661912.db2.gz WOHWLFCNSJMSAU-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000948625320 613710523 /nfs/dbraw/zinc/71/05/23/613710523.db2.gz YSHSDKCACFGTTH-CQSZACIVSA-N 1 2 293.411 0.821 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000957691193 613712783 /nfs/dbraw/zinc/71/27/83/613712783.db2.gz FZKXPANKNCDXLG-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC000948719911 613717784 /nfs/dbraw/zinc/71/77/84/613717784.db2.gz YKNARTBZSXHMHL-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC000949765867 613718642 /nfs/dbraw/zinc/71/86/42/613718642.db2.gz NJJJATHTFYVPPD-UHFFFAOYSA-N 1 2 253.327 0.793 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972290799 613724599 /nfs/dbraw/zinc/72/45/99/613724599.db2.gz HKNDDQMABOHLPT-ZFWWWQNUSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972290799 613724600 /nfs/dbraw/zinc/72/46/00/613724600.db2.gz HKNDDQMABOHLPT-ZFWWWQNUSA-N 1 2 280.368 0.512 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 ZINC000972609649 613724743 /nfs/dbraw/zinc/72/47/43/613724743.db2.gz VAAATRAYLLXTBM-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 ZINC000972609649 613724744 /nfs/dbraw/zinc/72/47/44/613724744.db2.gz VAAATRAYLLXTBM-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1=O ZINC000798645120 613802746 /nfs/dbraw/zinc/80/27/46/613802746.db2.gz YVCZAARBNLGJDL-NEPJUHHUSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)C[N@H+](C)[C@@H]2CCSC2)C1=O ZINC000798645120 613802749 /nfs/dbraw/zinc/80/27/49/613802749.db2.gz YVCZAARBNLGJDL-NEPJUHHUSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc2nc[nH]c21 ZINC000960016208 613843787 /nfs/dbraw/zinc/84/37/87/613843787.db2.gz XRGKCKHVEPJONY-PJXYFTJBSA-N 1 2 283.335 0.804 20 30 CCEDLO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc2nc[nH]c21 ZINC000960016208 613843788 /nfs/dbraw/zinc/84/37/88/613843788.db2.gz XRGKCKHVEPJONY-PJXYFTJBSA-N 1 2 283.335 0.804 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000134047892 613853466 /nfs/dbraw/zinc/85/34/66/613853466.db2.gz SMHGHWQYNIZFQM-LLVKDONJSA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000134047892 613853467 /nfs/dbraw/zinc/85/34/67/613853467.db2.gz SMHGHWQYNIZFQM-LLVKDONJSA-N 1 2 254.330 0.516 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(F)F)C1CC1 ZINC000884129686 613877515 /nfs/dbraw/zinc/87/75/15/613877515.db2.gz NBPARZFBIFZQJL-VIFPVBQESA-N 1 2 276.283 0.689 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)CC1 ZINC000884047878 613877621 /nfs/dbraw/zinc/87/76/21/613877621.db2.gz OSADBYVYDYZDLI-NSHDSACASA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CSC ZINC000884378641 613877700 /nfs/dbraw/zinc/87/77/00/613877700.db2.gz YWNGZBWJPMVBJM-QWRGUYRKSA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@@H](CC)C1 ZINC000884143681 613877775 /nfs/dbraw/zinc/87/77/75/613877775.db2.gz NOBLQDRYEHYUPO-QWRGUYRKSA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC000884383412 613877943 /nfs/dbraw/zinc/87/79/43/613877943.db2.gz JJSBXNVTQPETMA-TUAOUCFPSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C(C)C)CC1 ZINC000884152679 613878194 /nfs/dbraw/zinc/87/81/94/613878194.db2.gz QXWSBZDTRGRJBC-NSHDSACASA-N 1 2 268.357 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCS[C@H]1C ZINC000884380412 613878490 /nfs/dbraw/zinc/87/84/90/613878490.db2.gz CHUBHIJOZDJZDF-LPEHRKFASA-N 1 2 272.370 0.443 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000884379946 613878560 /nfs/dbraw/zinc/87/85/60/613878560.db2.gz OSWGDVAKIGVUKS-SDDRHHMPSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCS[C@@H]1C ZINC000884380413 613878744 /nfs/dbraw/zinc/87/87/44/613878744.db2.gz CHUBHIJOZDJZDF-UTLUCORTSA-N 1 2 272.370 0.443 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000884439952 613878820 /nfs/dbraw/zinc/87/88/20/613878820.db2.gz UWBWMHCXOSZAFY-GRYCIOLGSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cn1 ZINC000884182358 613878963 /nfs/dbraw/zinc/87/89/63/613878963.db2.gz HFJPUZLMJMJXFH-VIFPVBQESA-N 1 2 267.260 0.606 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447495 613879170 /nfs/dbraw/zinc/87/91/70/613879170.db2.gz MCGXZRPUWYGLCL-NSHDSACASA-N 1 2 250.302 0.085 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875649158 613884040 /nfs/dbraw/zinc/88/40/40/613884040.db2.gz CUXNTJZMCGHWGP-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875649158 613884041 /nfs/dbraw/zinc/88/40/41/613884041.db2.gz CUXNTJZMCGHWGP-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931207378 614285881 /nfs/dbraw/zinc/28/58/81/614285881.db2.gz JANIBCGZLDOQPB-HNNXBMFYSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931207378 614285882 /nfs/dbraw/zinc/28/58/82/614285882.db2.gz JANIBCGZLDOQPB-HNNXBMFYSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)n1ccnc1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895157007 614365251 /nfs/dbraw/zinc/36/52/51/614365251.db2.gz KQNADFHVDZNHGK-JTQLQIEISA-N 1 2 252.318 0.934 20 30 CCEDLO CCC(=[NH+]NC(=S)NCC(N)=O)c1cccc(N)c1 ZINC000814844995 614444508 /nfs/dbraw/zinc/44/45/08/614444508.db2.gz SDQXEKUMYGBNTH-UHFFFAOYSA-N 1 2 279.369 0.332 20 30 CCEDLO CCN(CC)c1ccc(C=[NH+]NC2=NCC(=O)N2)c(O)c1 ZINC000863174687 615013292 /nfs/dbraw/zinc/01/32/92/615013292.db2.gz YPDYZAIKWNJRJP-UHFFFAOYSA-N 1 2 289.339 0.648 20 30 CCEDLO CCOC(=O)/C=C\CN(CCC#N)CC[NH+]1CCOCC1 ZINC000929775368 615146689 /nfs/dbraw/zinc/14/66/89/615146689.db2.gz XXJQGYVFQLSLDS-HYXAFXHYSA-N 1 2 295.383 0.654 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC12COC2 ZINC000880004741 615306104 /nfs/dbraw/zinc/30/61/04/615306104.db2.gz CLPFTKWDCKMFMF-STQMWFEESA-N 1 2 291.351 0.941 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC12COC2 ZINC000880004741 615306105 /nfs/dbraw/zinc/30/61/05/615306105.db2.gz CLPFTKWDCKMFMF-STQMWFEESA-N 1 2 291.351 0.941 20 30 CCEDLO CCN1C[C@H](C[NH+]2CCN([C@H](C#N)C(C)C)CC2)OC1=O ZINC000846834965 615403221 /nfs/dbraw/zinc/40/32/21/615403221.db2.gz GQFLKBXXZTYSFU-UONOGXRCSA-N 1 2 294.399 0.993 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCOCC1 ZINC000928639582 615714671 /nfs/dbraw/zinc/71/46/71/615714671.db2.gz HJCLTKJSMLQVPA-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CSCC#N ZINC000874699426 615923853 /nfs/dbraw/zinc/92/38/53/615923853.db2.gz AWRVDDDAIJTZCJ-NSHDSACASA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CSCC#N ZINC000874699426 615923854 /nfs/dbraw/zinc/92/38/54/615923854.db2.gz AWRVDDDAIJTZCJ-NSHDSACASA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@](C)(C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865078184 615942322 /nfs/dbraw/zinc/94/23/22/615942322.db2.gz NXFUTTBTRWCYBH-DSYXLKISSA-N 1 2 251.330 0.683 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@H]1CO ZINC000913554743 616223985 /nfs/dbraw/zinc/22/39/85/616223985.db2.gz LOINDHFWLVEANA-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@H]1CO ZINC000913554743 616223986 /nfs/dbraw/zinc/22/39/86/616223986.db2.gz LOINDHFWLVEANA-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H](CO)C1 ZINC000879002674 616245183 /nfs/dbraw/zinc/24/51/83/616245183.db2.gz LDDUXWFUEYLGLT-AWEZNQCLSA-N 1 2 275.352 0.697 20 30 CCEDLO CN1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](CO)C1 ZINC000879002674 616245184 /nfs/dbraw/zinc/24/51/84/616245184.db2.gz LDDUXWFUEYLGLT-AWEZNQCLSA-N 1 2 275.352 0.697 20 30 CCEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1ccc(C#N)cn1 ZINC000895611835 616250773 /nfs/dbraw/zinc/25/07/73/616250773.db2.gz JYOZHFBTDRCHPL-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@H+]1CCOC[C@]1(CO)CNc1ccc(C#N)cn1 ZINC000895611835 616250774 /nfs/dbraw/zinc/25/07/74/616250774.db2.gz JYOZHFBTDRCHPL-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)C2CCCC2)C1 ZINC000921541700 616253168 /nfs/dbraw/zinc/25/31/68/616253168.db2.gz BWVVJRRSSZYGEP-VXGBXAGGSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)C2CCCC2)C1 ZINC000921541700 616253169 /nfs/dbraw/zinc/25/31/69/616253169.db2.gz BWVVJRRSSZYGEP-VXGBXAGGSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000913737638 616544022 /nfs/dbraw/zinc/54/40/22/616544022.db2.gz VPWNBCFTWSYKPF-UHFFFAOYSA-N 1 2 292.339 0.842 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000871340896 616545285 /nfs/dbraw/zinc/54/52/85/616545285.db2.gz KDTUKGXMCKCXHT-LLVKDONJSA-N 1 2 290.323 0.361 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)C1CCOCC1 ZINC000880340810 616634826 /nfs/dbraw/zinc/63/48/26/616634826.db2.gz LMTSTDYWJHJOOR-ZYHUDNBSSA-N 1 2 270.329 0.473 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965196 616653400 /nfs/dbraw/zinc/65/34/00/616653400.db2.gz DOQHWNPNQOQUHQ-STQMWFEESA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965196 616653405 /nfs/dbraw/zinc/65/34/05/616653405.db2.gz DOQHWNPNQOQUHQ-STQMWFEESA-N 1 2 296.367 0.959 20 30 CCEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000805825703 616772917 /nfs/dbraw/zinc/77/29/17/616772917.db2.gz CNDZFDWRYNHGCL-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000805825703 616772920 /nfs/dbraw/zinc/77/29/20/616772920.db2.gz CNDZFDWRYNHGCL-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000880559511 616785091 /nfs/dbraw/zinc/78/50/91/616785091.db2.gz OIEZPIONBWDJKE-JQWIXIFHSA-N 1 2 251.286 0.040 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000880559511 616785093 /nfs/dbraw/zinc/78/50/93/616785093.db2.gz OIEZPIONBWDJKE-JQWIXIFHSA-N 1 2 251.286 0.040 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852633807 616859886 /nfs/dbraw/zinc/85/98/86/616859886.db2.gz IHYZYPSGBKGTMZ-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1CCO[C@@H](C)C#N ZINC000852633807 616859888 /nfs/dbraw/zinc/85/98/88/616859888.db2.gz IHYZYPSGBKGTMZ-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCOCCC#N ZINC000879029160 617037018 /nfs/dbraw/zinc/03/70/18/617037018.db2.gz XNMVIKRKPQDAHX-CQSZACIVSA-N 1 2 284.356 0.961 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCOCCC#N ZINC000879029160 617037021 /nfs/dbraw/zinc/03/70/21/617037021.db2.gz XNMVIKRKPQDAHX-CQSZACIVSA-N 1 2 284.356 0.961 20 30 CCEDLO COC[C@H](C)NC(=S)NN=Cc1c[nH+]c(C)n1C ZINC000853269615 617077752 /nfs/dbraw/zinc/07/77/52/617077752.db2.gz UYDDCDOQMPLXCS-QMMMGPOBSA-N 1 2 269.374 0.561 20 30 CCEDLO CON1CC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000930829077 617094363 /nfs/dbraw/zinc/09/43/63/617094363.db2.gz XNPWLRXBBPOUQU-GRYCIOLGSA-N 1 2 266.345 0.067 20 30 CCEDLO CON1CC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000930829077 617094365 /nfs/dbraw/zinc/09/43/65/617094365.db2.gz XNPWLRXBBPOUQU-GRYCIOLGSA-N 1 2 266.345 0.067 20 30 CCEDLO CON=CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000809798887 617103725 /nfs/dbraw/zinc/10/37/25/617103725.db2.gz DEKDKHTWBHHFOI-SNVBAGLBSA-N 1 2 250.302 0.758 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000972516226 622921722 /nfs/dbraw/zinc/92/17/22/622921722.db2.gz KEADQMLXENAFSZ-DGCLKSJQSA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000972516226 622921723 /nfs/dbraw/zinc/92/17/23/622921723.db2.gz KEADQMLXENAFSZ-DGCLKSJQSA-N 1 2 275.356 0.645 20 30 CCEDLO O=C(NCC#CCO)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000923781591 623462958 /nfs/dbraw/zinc/46/29/58/623462958.db2.gz BDOCPMCFCRJEFS-LBPRGKRZSA-N 1 2 262.313 0.225 20 30 CCEDLO C#CCSCCNC(=O)NCc1c[nH+]cn1C ZINC000290691453 624895609 /nfs/dbraw/zinc/89/56/09/624895609.db2.gz IYZHNWWSUIOIBU-UHFFFAOYSA-N 1 2 252.343 0.586 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705872 650088656 /nfs/dbraw/zinc/08/86/56/650088656.db2.gz OOESTDLTYZAWDU-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCn1cc[nH+]c1 ZINC000989259701 633179100 /nfs/dbraw/zinc/17/91/00/633179100.db2.gz NILLMJZSCMXBBJ-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCOCC1 ZINC000898495395 633612164 /nfs/dbraw/zinc/61/21/64/633612164.db2.gz RMTIYNZIRURDIM-GFCCVEGCSA-N 1 2 283.347 0.857 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCOCC1 ZINC000898495395 633612168 /nfs/dbraw/zinc/61/21/68/633612168.db2.gz RMTIYNZIRURDIM-GFCCVEGCSA-N 1 2 283.347 0.857 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502254 633615715 /nfs/dbraw/zinc/61/57/15/633615715.db2.gz MQMUWLLJKLKBPD-MNOVXSKESA-N 1 2 294.334 0.261 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502254 633615717 /nfs/dbraw/zinc/61/57/17/633615717.db2.gz MQMUWLLJKLKBPD-MNOVXSKESA-N 1 2 294.334 0.261 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1sccc1C#N ZINC000898884722 633681390 /nfs/dbraw/zinc/68/13/90/633681390.db2.gz SVHVJERTNCTOMN-VIFPVBQESA-N 1 2 276.321 0.817 20 30 CCEDLO CC#CCN(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908450962 635386647 /nfs/dbraw/zinc/38/66/47/635386647.db2.gz RCADVRDJOYPUTP-ACCUITESSA-N 1 2 250.342 0.747 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010502895 650233810 /nfs/dbraw/zinc/23/38/10/650233810.db2.gz ZKGGWBZOMMRVRM-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010502895 650233813 /nfs/dbraw/zinc/23/38/13/650233813.db2.gz ZKGGWBZOMMRVRM-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010570814 650243765 /nfs/dbraw/zinc/24/37/65/650243765.db2.gz RVMBIGBMUHPVQX-GHMZBOCLSA-N 1 2 286.759 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010570814 650243769 /nfs/dbraw/zinc/24/37/69/650243769.db2.gz RVMBIGBMUHPVQX-GHMZBOCLSA-N 1 2 286.759 0.883 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)N1CC#N ZINC000911709890 636346120 /nfs/dbraw/zinc/34/61/20/636346120.db2.gz XQSYQYUINHQFFH-VXGBXAGGSA-N 1 2 261.329 0.328 20 30 CCEDLO N#CC1(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1 ZINC000913453010 636810302 /nfs/dbraw/zinc/81/03/02/636810302.db2.gz ICLDALYKECXPDA-LLVKDONJSA-N 1 2 259.313 0.576 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)ncc1C#N ZINC000913541431 636840220 /nfs/dbraw/zinc/84/02/20/636840220.db2.gz MDVCVPRIKRFROS-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)ncc1C#N ZINC000913541431 636840227 /nfs/dbraw/zinc/84/02/27/636840227.db2.gz MDVCVPRIKRFROS-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174549187 637264140 /nfs/dbraw/zinc/26/41/40/637264140.db2.gz SKQVTUIVVSLKQW-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174549187 637264150 /nfs/dbraw/zinc/26/41/50/637264150.db2.gz SKQVTUIVVSLKQW-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011910012 650319631 /nfs/dbraw/zinc/31/96/31/650319631.db2.gz AVGPFHQSHYQKRK-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992326388 637365560 /nfs/dbraw/zinc/36/55/60/637365560.db2.gz GJDWRRFPWBFTJA-GWCFXTLKSA-N 1 2 259.313 0.165 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992326388 637365564 /nfs/dbraw/zinc/36/55/64/637365564.db2.gz GJDWRRFPWBFTJA-GWCFXTLKSA-N 1 2 259.313 0.165 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992926821 637640630 /nfs/dbraw/zinc/64/06/30/637640630.db2.gz UOIBNOKYPWBNTK-MELADBBJSA-N 1 2 287.367 0.623 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503640 637677311 /nfs/dbraw/zinc/67/73/11/637677311.db2.gz LAURFOPPNPREHP-VHSXEESVSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503640 637677319 /nfs/dbraw/zinc/67/73/19/637677319.db2.gz LAURFOPPNPREHP-VHSXEESVSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)[C@@H]1C ZINC000994015535 637859805 /nfs/dbraw/zinc/85/98/05/637859805.db2.gz BOSCFWJKOQAEGN-WDEREUQCSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2nc[nH]n2)[C@@H]1C ZINC000994015535 637859808 /nfs/dbraw/zinc/85/98/08/637859808.db2.gz BOSCFWJKOQAEGN-WDEREUQCSA-N 1 2 263.345 0.964 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939407059 638361151 /nfs/dbraw/zinc/36/11/51/638361151.db2.gz YERKFKGPELXZSA-RYUDHWBXSA-N 1 2 289.339 0.102 20 30 CCEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC000939535059 638375992 /nfs/dbraw/zinc/37/59/92/638375992.db2.gz OVAADMJQPCKHAL-QWRGUYRKSA-N 1 2 275.356 0.647 20 30 CCEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnon1 ZINC001015876826 638655834 /nfs/dbraw/zinc/65/58/34/638655834.db2.gz QNYWYYVWPKZLDD-CQSZACIVSA-N 1 2 296.330 0.925 20 30 CCEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnon1 ZINC001015876826 638655844 /nfs/dbraw/zinc/65/58/44/638655844.db2.gz QNYWYYVWPKZLDD-CQSZACIVSA-N 1 2 296.330 0.925 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996733079 638830378 /nfs/dbraw/zinc/83/03/78/638830378.db2.gz RESWVYGDWCOHNI-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001016062266 638886097 /nfs/dbraw/zinc/88/60/97/638886097.db2.gz CUMZTRBRDQVPDY-MRVPVSSYSA-N 1 2 253.689 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001016062266 638886099 /nfs/dbraw/zinc/88/60/99/638886099.db2.gz CUMZTRBRDQVPDY-MRVPVSSYSA-N 1 2 253.689 0.765 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000998746953 638938662 /nfs/dbraw/zinc/93/86/62/638938662.db2.gz QJHNNCFAGDMXHD-VHSXEESVSA-N 1 2 279.369 0.778 20 30 CCEDLO CC#CC[N@H+]1CC=C(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001001120112 639237971 /nfs/dbraw/zinc/23/79/71/639237971.db2.gz KJOHNTHPKVVRIM-UHFFFAOYSA-N 1 2 288.351 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC=C(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001001120112 639237976 /nfs/dbraw/zinc/23/79/76/639237976.db2.gz KJOHNTHPKVVRIM-UHFFFAOYSA-N 1 2 288.351 0.511 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015195397 650537218 /nfs/dbraw/zinc/53/72/18/650537218.db2.gz QMFXXCOYOLQRLC-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015195397 650537219 /nfs/dbraw/zinc/53/72/19/650537219.db2.gz QMFXXCOYOLQRLC-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(S(N)(=O)=O)cn1 ZINC000755636148 640329460 /nfs/dbraw/zinc/32/94/60/640329460.db2.gz MJAPVVAKLJGTDA-UHFFFAOYSA-N 1 2 280.313 0.207 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133339 640927035 /nfs/dbraw/zinc/92/70/35/640927035.db2.gz IIDHHPZVWSJCBF-NSHDSACASA-N 1 2 281.747 0.813 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133339 640927040 /nfs/dbraw/zinc/92/70/40/640927040.db2.gz IIDHHPZVWSJCBF-NSHDSACASA-N 1 2 281.747 0.813 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015836777 650637677 /nfs/dbraw/zinc/63/76/77/650637677.db2.gz KHYAIOQIJOKFRU-SECBINFHSA-N 1 2 277.349 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015836777 650637680 /nfs/dbraw/zinc/63/76/80/650637680.db2.gz KHYAIOQIJOKFRU-SECBINFHSA-N 1 2 277.349 0.284 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(=O)c1C#N ZINC000819896523 641438932 /nfs/dbraw/zinc/43/89/32/641438932.db2.gz DYPQISOGGUXQMI-ZDUSSCGKSA-N 1 2 298.350 0.915 20 30 CCEDLO Cc1ccn(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(=O)c1C#N ZINC000819896523 641438934 /nfs/dbraw/zinc/43/89/34/641438934.db2.gz DYPQISOGGUXQMI-ZDUSSCGKSA-N 1 2 298.350 0.915 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)nc1 ZINC001016019776 650675732 /nfs/dbraw/zinc/67/57/32/650675732.db2.gz QEPLSCSPLXUMAC-LBPRGKRZSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)nc1 ZINC001016019776 650675733 /nfs/dbraw/zinc/67/57/33/650675733.db2.gz QEPLSCSPLXUMAC-LBPRGKRZSA-N 1 2 261.300 0.837 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000828071075 642063252 /nfs/dbraw/zinc/06/32/52/642063252.db2.gz LWPLGCOCZJCABW-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001017626631 650814211 /nfs/dbraw/zinc/81/42/11/650814211.db2.gz LPRVKSUSHSZBHK-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001017626631 650814213 /nfs/dbraw/zinc/81/42/13/650814213.db2.gz LPRVKSUSHSZBHK-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nccn2C1 ZINC001017671228 650817438 /nfs/dbraw/zinc/81/74/38/650817438.db2.gz ORMSTQSKQQCJNI-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nccn2C1 ZINC001017671228 650817440 /nfs/dbraw/zinc/81/74/40/650817440.db2.gz ORMSTQSKQQCJNI-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 ZINC001017697210 650817822 /nfs/dbraw/zinc/81/78/22/650817822.db2.gz AJAMQLYNFOKGIJ-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 ZINC001017697210 650817825 /nfs/dbraw/zinc/81/78/25/650817825.db2.gz AJAMQLYNFOKGIJ-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)[nH]1 ZINC001017891959 650833068 /nfs/dbraw/zinc/83/30/68/650833068.db2.gz OYYYWZCCCDPNPH-PHIMTYICSA-N 1 2 274.324 0.048 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)[nH]1 ZINC001017891959 650833072 /nfs/dbraw/zinc/83/30/72/650833072.db2.gz OYYYWZCCCDPNPH-PHIMTYICSA-N 1 2 274.324 0.048 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001017978471 650838258 /nfs/dbraw/zinc/83/82/58/650838258.db2.gz LUXDBUMCFINHHV-MQYQWHSLSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001017978471 650838260 /nfs/dbraw/zinc/83/82/60/650838260.db2.gz LUXDBUMCFINHHV-MQYQWHSLSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001017965662 650837359 /nfs/dbraw/zinc/83/73/59/650837359.db2.gz OEYKUCOSFVHRBJ-OKILXGFUSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001017965662 650837362 /nfs/dbraw/zinc/83/73/62/650837362.db2.gz OEYKUCOSFVHRBJ-OKILXGFUSA-N 1 2 287.367 0.436 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCC(=O)O1 ZINC000851798269 643885189 /nfs/dbraw/zinc/88/51/89/643885189.db2.gz QCGZKKBTWZBLDY-CYBMUJFWSA-N 1 2 281.356 0.240 20 30 CCEDLO C=CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H](C)COC ZINC000852901641 644051097 /nfs/dbraw/zinc/05/10/97/644051097.db2.gz MLVISUSTANALIK-SNVBAGLBSA-N 1 2 278.356 0.719 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ncccn2)cc1 ZINC000853112734 644076823 /nfs/dbraw/zinc/07/68/23/644076823.db2.gz KKECUYHQEUMZLG-ZDUSSCGKSA-N 1 2 284.319 0.878 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859270285 644681540 /nfs/dbraw/zinc/68/15/40/644681540.db2.gz OAHDLTRWNDZVTI-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859270285 644681543 /nfs/dbraw/zinc/68/15/43/644681543.db2.gz OAHDLTRWNDZVTI-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO CC(C)(C(=O)N1CC[C@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC001019655673 650996014 /nfs/dbraw/zinc/99/60/14/650996014.db2.gz VGVNYTUJIFMWEL-JTQLQIEISA-N 1 2 261.329 0.401 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C#N)CCCOC1 ZINC000867931059 645683235 /nfs/dbraw/zinc/68/32/35/645683235.db2.gz JVTAVSMOQUBESN-DZGCQCFKSA-N 1 2 295.383 0.486 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@H]2CCOC2=O)nn1 ZINC000881320336 647301935 /nfs/dbraw/zinc/30/19/35/647301935.db2.gz IJIFMJYRYJMJMN-NSHDSACASA-N 1 2 262.313 0.344 20 30 CCEDLO N#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000930615367 648881389 /nfs/dbraw/zinc/88/13/89/648881389.db2.gz DVCZVUUYNNYXLH-KGLIPLIRSA-N 1 2 293.367 0.381 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000930866628 648919013 /nfs/dbraw/zinc/91/90/13/648919013.db2.gz DSRLAISLADJQDE-MNOVXSKESA-N 1 2 253.346 0.904 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000934512400 649177488 /nfs/dbraw/zinc/17/74/88/649177488.db2.gz MFOCILDWRMWTMC-GFCCVEGCSA-N 1 2 271.382 0.414 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000934512400 649177491 /nfs/dbraw/zinc/17/74/91/649177491.db2.gz MFOCILDWRMWTMC-GFCCVEGCSA-N 1 2 271.382 0.414 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1C(N)=O ZINC000191110364 649467614 /nfs/dbraw/zinc/46/76/14/649467614.db2.gz WGXKFVAROVUNNR-UHFFFAOYSA-N 1 2 291.351 0.858 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1C(N)=O ZINC000191110364 649467617 /nfs/dbraw/zinc/46/76/17/649467617.db2.gz WGXKFVAROVUNNR-UHFFFAOYSA-N 1 2 291.351 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191467313 649478843 /nfs/dbraw/zinc/47/88/43/649478843.db2.gz PUQSSYOHCAFMGQ-JTQLQIEISA-N 1 2 291.359 0.421 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2C(N)=O)CC1 ZINC001165031458 721865099 /nfs/dbraw/zinc/86/50/99/721865099.db2.gz KLDCSLCWANMNPL-UHFFFAOYSA-N 1 2 281.747 0.537 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230532771 805609808 /nfs/dbraw/zinc/60/98/08/805609808.db2.gz RKHLOMCWCZNIHP-CQSZACIVSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230532771 805609813 /nfs/dbraw/zinc/60/98/13/805609813.db2.gz RKHLOMCWCZNIHP-CQSZACIVSA-N 1 2 281.400 0.964 20 30 CCEDLO C[N@H+](CCNC(=O)c1cccc(F)c1)CC(=O)NCC#N ZINC001266253032 790333895 /nfs/dbraw/zinc/33/38/95/790333895.db2.gz KKBBIDVDJWKBGA-UHFFFAOYSA-N 1 2 292.314 0.127 20 30 CCEDLO C[N@@H+](CCNC(=O)c1cccc(F)c1)CC(=O)NCC#N ZINC001266253032 790333907 /nfs/dbraw/zinc/33/39/07/790333907.db2.gz KKBBIDVDJWKBGA-UHFFFAOYSA-N 1 2 292.314 0.127 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)C2CC(OC)C2)CC1 ZINC001266288439 790420098 /nfs/dbraw/zinc/42/00/98/790420098.db2.gz XCEFXPSWSSQDCQ-UHFFFAOYSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3occc3C)[C@H]2C1 ZINC001083187650 790415890 /nfs/dbraw/zinc/41/58/90/790415890.db2.gz DRLUUUOCBHIILX-DZGCQCFKSA-N 1 2 288.347 0.675 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3occc3C)[C@H]2C1 ZINC001083187650 790415896 /nfs/dbraw/zinc/41/58/96/790415896.db2.gz DRLUUUOCBHIILX-DZGCQCFKSA-N 1 2 288.347 0.675 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001039040405 790446609 /nfs/dbraw/zinc/44/66/09/790446609.db2.gz SGGXBIGQIGTWSQ-TZMCWYRMSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001039040405 790446614 /nfs/dbraw/zinc/44/66/14/790446614.db2.gz SGGXBIGQIGTWSQ-TZMCWYRMSA-N 1 2 288.322 0.953 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266309831 790484517 /nfs/dbraw/zinc/48/45/17/790484517.db2.gz ABESAOCKLWIEEX-MNOVXSKESA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266309831 790484524 /nfs/dbraw/zinc/48/45/24/790484524.db2.gz ABESAOCKLWIEEX-MNOVXSKESA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266309829 790485974 /nfs/dbraw/zinc/48/59/74/790485974.db2.gz ABESAOCKLWIEEX-GHMZBOCLSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266309829 790485978 /nfs/dbraw/zinc/48/59/78/790485978.db2.gz ABESAOCKLWIEEX-GHMZBOCLSA-N 1 2 261.329 0.270 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266319534 790497863 /nfs/dbraw/zinc/49/78/63/790497863.db2.gz NGOUTEQKCWKNLV-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266319534 790497873 /nfs/dbraw/zinc/49/78/73/790497873.db2.gz NGOUTEQKCWKNLV-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(C)C ZINC001266342096 790546844 /nfs/dbraw/zinc/54/68/44/790546844.db2.gz HMKRUBHVBQFCNW-STQMWFEESA-N 1 2 279.384 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(C)C ZINC001266342096 790546848 /nfs/dbraw/zinc/54/68/48/790546848.db2.gz HMKRUBHVBQFCNW-STQMWFEESA-N 1 2 279.384 0.076 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001039072867 790573008 /nfs/dbraw/zinc/57/30/08/790573008.db2.gz KCHWFSIKVVFSIY-NRXISQOPSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001039072867 790573018 /nfs/dbraw/zinc/57/30/18/790573018.db2.gz KCHWFSIKVVFSIY-NRXISQOPSA-N 1 2 291.395 0.505 20 30 CCEDLO CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266454509 790745496 /nfs/dbraw/zinc/74/54/96/790745496.db2.gz XQMNBFPEHOHERJ-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266454509 790745488 /nfs/dbraw/zinc/74/54/88/790745488.db2.gz XQMNBFPEHOHERJ-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CCC4)[C@H]2C1 ZINC001083208617 791004641 /nfs/dbraw/zinc/00/46/41/791004641.db2.gz VHWANEUUBHUSHB-HZSPNIEDSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CCC4)[C@H]2C1 ZINC001083208617 791004650 /nfs/dbraw/zinc/00/46/50/791004650.db2.gz VHWANEUUBHUSHB-HZSPNIEDSA-N 1 2 274.364 0.721 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230705971 805652872 /nfs/dbraw/zinc/65/28/72/805652872.db2.gz QIMHSPWMQMSMPZ-GFCCVEGCSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230705971 805652879 /nfs/dbraw/zinc/65/28/79/805652879.db2.gz QIMHSPWMQMSMPZ-GFCCVEGCSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC001230860445 805679249 /nfs/dbraw/zinc/67/92/49/805679249.db2.gz LGOZBNJDVFKUGV-NSHDSACASA-N 1 2 296.396 0.887 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC001230860445 805679253 /nfs/dbraw/zinc/67/92/53/805679253.db2.gz LGOZBNJDVFKUGV-NSHDSACASA-N 1 2 296.396 0.887 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230939018 805694333 /nfs/dbraw/zinc/69/43/33/805694333.db2.gz RFHOWJIPYLHNDH-OLZOCXBDSA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230939018 805694340 /nfs/dbraw/zinc/69/43/40/805694340.db2.gz RFHOWJIPYLHNDH-OLZOCXBDSA-N 1 2 268.357 0.204 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231406152 805793835 /nfs/dbraw/zinc/79/38/35/805793835.db2.gz XTGQLIMIQBZTGV-AWEZNQCLSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231406152 805793837 /nfs/dbraw/zinc/79/38/37/805793837.db2.gz XTGQLIMIQBZTGV-AWEZNQCLSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001277565078 805854386 /nfs/dbraw/zinc/85/43/86/805854386.db2.gz WEXVZSGCPFACAP-UHFFFAOYSA-N 1 2 278.356 0.677 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001277570320 805858620 /nfs/dbraw/zinc/85/86/20/805858620.db2.gz DNMJEPGOIAGALL-UHFFFAOYSA-N 1 2 278.356 0.677 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC001232369265 805930754 /nfs/dbraw/zinc/93/07/54/805930754.db2.gz YEPSQKFAOWBLCQ-UHFFFAOYSA-N 1 2 295.350 0.648 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccn3)C[C@H]21 ZINC001232474872 805945494 /nfs/dbraw/zinc/94/54/94/805945494.db2.gz CXGJINUZZNXJIN-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccn3)C[C@H]21 ZINC001232474872 805945497 /nfs/dbraw/zinc/94/54/97/805945497.db2.gz CXGJINUZZNXJIN-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@H]21 ZINC001232474872 805945501 /nfs/dbraw/zinc/94/55/01/805945501.db2.gz CXGJINUZZNXJIN-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@H]21 ZINC001232474872 805945504 /nfs/dbraw/zinc/94/55/04/805945504.db2.gz CXGJINUZZNXJIN-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001232674156 805967601 /nfs/dbraw/zinc/96/76/01/805967601.db2.gz SGWJGZQFVQVXSQ-LLVKDONJSA-N 1 2 259.309 0.961 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001232674156 805967607 /nfs/dbraw/zinc/96/76/07/805967607.db2.gz SGWJGZQFVQVXSQ-LLVKDONJSA-N 1 2 259.309 0.961 20 30 CCEDLO N#CCN1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001266845416 791283898 /nfs/dbraw/zinc/28/38/98/791283898.db2.gz YKSMNRDBCQYLSV-CYBMUJFWSA-N 1 2 275.356 0.837 20 30 CCEDLO N#CCN1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001266845416 791283903 /nfs/dbraw/zinc/28/39/03/791283903.db2.gz YKSMNRDBCQYLSV-CYBMUJFWSA-N 1 2 275.356 0.837 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001266928785 791362859 /nfs/dbraw/zinc/36/28/59/791362859.db2.gz XGUCRXZKOYXGLG-ZJUUUORDSA-N 1 2 282.344 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2cnon2)cc1 ZINC001266959989 791394823 /nfs/dbraw/zinc/39/48/23/791394823.db2.gz AHKWEJFTMHEKEA-NSHDSACASA-N 1 2 284.319 0.959 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486648 806062277 /nfs/dbraw/zinc/06/22/77/806062277.db2.gz WNWLERLUMGMVLD-UHFFFAOYSA-N 1 2 262.309 0.554 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500219 806068588 /nfs/dbraw/zinc/06/85/88/806068588.db2.gz IDKOPRHBZQEUEM-PSKZRQQASA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500219 806068599 /nfs/dbraw/zinc/06/85/99/806068599.db2.gz IDKOPRHBZQEUEM-PSKZRQQASA-N 1 2 291.395 0.788 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001167534649 791513399 /nfs/dbraw/zinc/51/33/99/791513399.db2.gz GWJVAAJBIZYSFM-GHMZBOCLSA-N 1 2 259.309 0.500 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001167534649 791513404 /nfs/dbraw/zinc/51/34/04/791513404.db2.gz GWJVAAJBIZYSFM-GHMZBOCLSA-N 1 2 259.309 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]3)CCC4)[C@H]2C1 ZINC001083245405 791574213 /nfs/dbraw/zinc/57/42/13/791574213.db2.gz PTBRENBREJOPDI-JKSUJKDBSA-N 1 2 299.374 0.662 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]3)CCC4)[C@H]2C1 ZINC001083245405 791574218 /nfs/dbraw/zinc/57/42/18/791574218.db2.gz PTBRENBREJOPDI-JKSUJKDBSA-N 1 2 299.374 0.662 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NCC#N ZINC001267133945 791579119 /nfs/dbraw/zinc/57/91/19/791579119.db2.gz OJIHQBRAWZPJEV-VXGBXAGGSA-N 1 2 275.356 0.453 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539011 806077686 /nfs/dbraw/zinc/07/76/86/806077686.db2.gz NAWQQEDXWUEWNP-RUXDESIVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539011 806077694 /nfs/dbraw/zinc/07/76/94/806077694.db2.gz NAWQQEDXWUEWNP-RUXDESIVSA-N 1 2 293.411 0.867 20 30 CCEDLO C[C@@H](NCC#N)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001267208209 791673268 /nfs/dbraw/zinc/67/32/68/791673268.db2.gz MGEROXIUVMQBHM-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233599921 806090200 /nfs/dbraw/zinc/09/02/00/806090200.db2.gz FZZWGGWZQVUVTH-CQSZACIVSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233599921 806090209 /nfs/dbraw/zinc/09/02/09/806090209.db2.gz FZZWGGWZQVUVTH-CQSZACIVSA-N 1 2 289.379 0.379 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](O)C(C)C ZINC001234066813 806176710 /nfs/dbraw/zinc/17/67/10/806176710.db2.gz CFERSZWOGVRNQX-ZIAGYGMSSA-N 1 2 282.384 0.186 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](O)C(C)C ZINC001234066813 806176712 /nfs/dbraw/zinc/17/67/12/806176712.db2.gz CFERSZWOGVRNQX-ZIAGYGMSSA-N 1 2 282.384 0.186 20 30 CCEDLO CCn1c(C)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234092643 806181587 /nfs/dbraw/zinc/18/15/87/806181587.db2.gz CQQRUGFYJMDZNV-YZCVJGAOSA-N 1 2 264.329 0.598 20 30 CCEDLO CCn1c(C)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234092643 806181591 /nfs/dbraw/zinc/18/15/91/806181591.db2.gz CQQRUGFYJMDZNV-YZCVJGAOSA-N 1 2 264.329 0.598 20 30 CCEDLO C[N@@H+]1CCc2n[nH]c(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278097390 806664335 /nfs/dbraw/zinc/66/43/35/806664335.db2.gz KKKMBYGAADKIAS-UHFFFAOYSA-N 1 2 259.313 0.574 20 30 CCEDLO C[N@H+]1CCc2n[nH]c(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278097390 806664337 /nfs/dbraw/zinc/66/43/37/806664337.db2.gz KKKMBYGAADKIAS-UHFFFAOYSA-N 1 2 259.313 0.574 20 30 CCEDLO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1=O ZINC001120596511 798882516 /nfs/dbraw/zinc/88/25/16/798882516.db2.gz HJDAONASGPMVLH-WDEREUQCSA-N 1 2 262.313 0.555 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C1CC1 ZINC001121609652 799060058 /nfs/dbraw/zinc/06/00/58/799060058.db2.gz MJEDDFHHNWNLKZ-NWDGAFQWSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)C1CC1 ZINC001121609652 799060062 /nfs/dbraw/zinc/06/00/62/799060062.db2.gz MJEDDFHHNWNLKZ-NWDGAFQWSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607566 799060070 /nfs/dbraw/zinc/06/00/70/799060070.db2.gz OPHSGQQIVDQAQC-SWLSCSKDSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607566 799060074 /nfs/dbraw/zinc/06/00/74/799060074.db2.gz OPHSGQQIVDQAQC-SWLSCSKDSA-N 1 2 291.399 0.976 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[S@](C)=O)C1 ZINC001122106829 799144857 /nfs/dbraw/zinc/14/48/57/799144857.db2.gz VGAGWPBEQHVLKE-BLVKFPJESA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[S@](C)=O)C1 ZINC001122106829 799144862 /nfs/dbraw/zinc/14/48/62/799144862.db2.gz VGAGWPBEQHVLKE-BLVKFPJESA-N 1 2 285.413 0.152 20 30 CCEDLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001124988320 799649864 /nfs/dbraw/zinc/64/98/64/799649864.db2.gz IRGSLZXQBAFUQW-JQWIXIFHSA-N 1 2 291.355 0.200 20 30 CCEDLO CNC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278271419 806800749 /nfs/dbraw/zinc/80/07/49/806800749.db2.gz KRDQVVIPNHCLJP-UHFFFAOYSA-N 1 2 273.340 0.354 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001153134306 800600232 /nfs/dbraw/zinc/60/02/32/800600232.db2.gz BKQBZAWPNGBREW-LLVKDONJSA-N 1 2 267.329 0.780 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001153149388 800602938 /nfs/dbraw/zinc/60/29/38/800602938.db2.gz WVNSMMLFCYTYFV-NXEZZACHSA-N 1 2 282.344 0.736 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001153149390 800603293 /nfs/dbraw/zinc/60/32/93/800603293.db2.gz WVNSMMLFCYTYFV-VHSXEESVSA-N 1 2 282.344 0.736 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc(C#N)ccc2[N+](=O)[O-])C1 ZINC001155196939 800928632 /nfs/dbraw/zinc/92/86/32/800928632.db2.gz QOBZYIRZPFYLSF-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc(C#N)ccc2[N+](=O)[O-])C1 ZINC001155196939 800928636 /nfs/dbraw/zinc/92/86/36/800928636.db2.gz QOBZYIRZPFYLSF-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1nsc(N(C)C)n1 ZINC001155827670 801060634 /nfs/dbraw/zinc/06/06/34/801060634.db2.gz DJNLGJMKCWSQQF-SECBINFHSA-N 1 2 296.400 0.360 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383179 801159589 /nfs/dbraw/zinc/15/95/89/801159589.db2.gz HBWQTHPZXRXCSA-LLVKDONJSA-N 1 2 263.345 0.313 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156889067 801254056 /nfs/dbraw/zinc/25/40/56/801254056.db2.gz FQLCVTJZFBSQNR-NSHDSACASA-N 1 2 299.334 0.495 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156889067 801254067 /nfs/dbraw/zinc/25/40/67/801254067.db2.gz FQLCVTJZFBSQNR-NSHDSACASA-N 1 2 299.334 0.495 20 30 CCEDLO Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cnc1C#N ZINC001157585232 801427340 /nfs/dbraw/zinc/42/73/40/801427340.db2.gz CJJYCZZACODFMB-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)cnc1C#N ZINC001157585232 801427346 /nfs/dbraw/zinc/42/73/46/801427346.db2.gz CJJYCZZACODFMB-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncnc(Cl)c1C#N ZINC001157770834 801478205 /nfs/dbraw/zinc/47/82/05/801478205.db2.gz SKFZYTFDPCESSU-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncnc(Cl)c1C#N ZINC001157770834 801478213 /nfs/dbraw/zinc/47/82/13/801478213.db2.gz SKFZYTFDPCESSU-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(C#N)ccc2C1 ZINC001157937643 801532303 /nfs/dbraw/zinc/53/23/03/801532303.db2.gz YSMHLIODCLVNSR-ZDUSSCGKSA-N 1 2 287.319 0.333 20 30 CCEDLO C#CC[N@H+]1CC=C(CCNC(=O)CS(=O)(=O)CC)CC1 ZINC001161938748 802251433 /nfs/dbraw/zinc/25/14/33/802251433.db2.gz WPLWHCVMFOZBMH-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO C#CC[N@@H+]1CC=C(CCNC(=O)CS(=O)(=O)CC)CC1 ZINC001161938748 802251435 /nfs/dbraw/zinc/25/14/35/802251435.db2.gz WPLWHCVMFOZBMH-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(OC)cc(C#N)n1 ZINC001161949846 802255571 /nfs/dbraw/zinc/25/55/71/802255571.db2.gz CGDQZYKCNIYOIE-SNVBAGLBSA-N 1 2 264.285 0.264 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2cc3nc[nH]c3c(C#N)n2)C1 ZINC001162681080 802387956 /nfs/dbraw/zinc/38/79/56/802387956.db2.gz WMUGNSIIOIUCIR-SECBINFHSA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2cc3nc[nH]c3c(C#N)n2)C1 ZINC001162681080 802387962 /nfs/dbraw/zinc/38/79/62/802387962.db2.gz WMUGNSIIOIUCIR-SECBINFHSA-N 1 2 272.312 0.572 20 30 CCEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001259936242 808811077 /nfs/dbraw/zinc/81/10/77/808811077.db2.gz LTSUMNPUZXUFKU-UHFFFAOYSA-N 1 2 255.343 0.899 20 30 CCEDLO C#CC[N@@H+](CC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001262006309 809150903 /nfs/dbraw/zinc/15/09/03/809150903.db2.gz KLCQKGJPBDXYCX-LBPRGKRZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001262006309 809150907 /nfs/dbraw/zinc/15/09/07/809150907.db2.gz KLCQKGJPBDXYCX-LBPRGKRZSA-N 1 2 271.382 0.678 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001265282046 809745425 /nfs/dbraw/zinc/74/54/25/809745425.db2.gz QKISRNIFUHXACW-CYBMUJFWSA-N 1 2 293.411 0.751 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001265282046 809745430 /nfs/dbraw/zinc/74/54/30/809745430.db2.gz QKISRNIFUHXACW-CYBMUJFWSA-N 1 2 293.411 0.751 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C#N)c2Cl)C[NH2+]1 ZINC001164307060 802715448 /nfs/dbraw/zinc/71/54/48/802715448.db2.gz UAPXMIDUCSTYET-IUCAKERBSA-N 1 2 280.715 0.922 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)n1 ZINC001165180298 802793336 /nfs/dbraw/zinc/79/33/36/802793336.db2.gz WXSZNYHMWIERLC-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)CCOC)C1 ZINC001267663055 811630078 /nfs/dbraw/zinc/63/00/78/811630078.db2.gz IDTZUUDGLMNXFN-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267750221 811742333 /nfs/dbraw/zinc/74/23/33/811742333.db2.gz ZRTZRPLKIPPIOF-ZWNOBZJWSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267750221 811742336 /nfs/dbraw/zinc/74/23/36/811742336.db2.gz ZRTZRPLKIPPIOF-ZWNOBZJWSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001276413143 803034402 /nfs/dbraw/zinc/03/44/02/803034402.db2.gz BMSNMNHKJWRXRO-NSHDSACASA-N 1 2 281.400 0.771 20 30 CCEDLO COC(=O)C1(C#N)CCN(Cc2[nH]c[nH+]c2C)CC1 ZINC001204603612 803095158 /nfs/dbraw/zinc/09/51/58/803095158.db2.gz SETZRTJPGFOVSC-UHFFFAOYSA-N 1 2 262.313 0.997 20 30 CCEDLO N#CCNCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119738 803118498 /nfs/dbraw/zinc/11/84/98/803118498.db2.gz YWXZPQOJZNSKRS-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965135 803192473 /nfs/dbraw/zinc/19/24/73/803192473.db2.gz OMMAZWVBCNJACF-DGCLKSJQSA-N 1 2 291.351 0.632 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965135 803192478 /nfs/dbraw/zinc/19/24/78/803192478.db2.gz OMMAZWVBCNJACF-DGCLKSJQSA-N 1 2 291.351 0.632 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CC2CC2)C1 ZINC001270613142 813837079 /nfs/dbraw/zinc/83/70/79/813837079.db2.gz XLYHWLKOFGWZDC-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)CC2CC2)C1 ZINC001270613142 813837083 /nfs/dbraw/zinc/83/70/83/813837083.db2.gz XLYHWLKOFGWZDC-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001206677605 803277900 /nfs/dbraw/zinc/27/79/00/803277900.db2.gz URVZKYATNXQDCL-CHWSQXEVSA-N 1 2 294.395 0.688 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001206677605 803277906 /nfs/dbraw/zinc/27/79/06/803277906.db2.gz URVZKYATNXQDCL-CHWSQXEVSA-N 1 2 294.395 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038428277 813908807 /nfs/dbraw/zinc/90/88/07/813908807.db2.gz WQZXJGCDOBQYCH-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001038428277 813908815 /nfs/dbraw/zinc/90/88/15/813908815.db2.gz WQZXJGCDOBQYCH-STQMWFEESA-N 1 2 272.352 0.269 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207106455 803353149 /nfs/dbraw/zinc/35/31/49/803353149.db2.gz LSFHOLSVMGXQQB-UHFFFAOYSA-N 1 2 276.340 0.187 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001276531306 803395674 /nfs/dbraw/zinc/39/56/74/803395674.db2.gz AVJVTURIAIZXFC-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001276531306 803395678 /nfs/dbraw/zinc/39/56/78/803395678.db2.gz AVJVTURIAIZXFC-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCCC(=O)NC[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001280439949 814764325 /nfs/dbraw/zinc/76/43/25/814764325.db2.gz XMQCUJFFFYLFSX-NSHDSACASA-N 1 2 278.356 0.882 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001276561228 803495557 /nfs/dbraw/zinc/49/55/57/803495557.db2.gz KGEIAUQHMFOXCJ-LBPRGKRZSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001276561228 803495562 /nfs/dbraw/zinc/49/55/62/803495562.db2.gz KGEIAUQHMFOXCJ-LBPRGKRZSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001276561226 803496281 /nfs/dbraw/zinc/49/62/81/803496281.db2.gz KGEIAUQHMFOXCJ-GFCCVEGCSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001276561226 803496285 /nfs/dbraw/zinc/49/62/85/803496285.db2.gz KGEIAUQHMFOXCJ-GFCCVEGCSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213268857 803688094 /nfs/dbraw/zinc/68/80/94/803688094.db2.gz WIKXHWWLMNDQLR-GHMZBOCLSA-N 1 2 258.337 0.984 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213268857 803688098 /nfs/dbraw/zinc/68/80/98/803688098.db2.gz WIKXHWWLMNDQLR-GHMZBOCLSA-N 1 2 258.337 0.984 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213494313 803696209 /nfs/dbraw/zinc/69/62/09/803696209.db2.gz XBWKYWGIZMXCIV-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213494313 803696210 /nfs/dbraw/zinc/69/62/10/803696210.db2.gz XBWKYWGIZMXCIV-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](OC)C1 ZINC001212038272 814985197 /nfs/dbraw/zinc/98/51/97/814985197.db2.gz REBPIJNIJWKSRK-GHMZBOCLSA-N 1 2 268.357 0.603 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](OC)C1 ZINC001212038272 814985199 /nfs/dbraw/zinc/98/51/99/814985199.db2.gz REBPIJNIJWKSRK-GHMZBOCLSA-N 1 2 268.357 0.603 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1C ZINC001276793573 804097042 /nfs/dbraw/zinc/09/70/42/804097042.db2.gz TYPZYCJAEIZMIH-ZDUSSCGKSA-N 1 2 275.352 0.479 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1C ZINC001276793573 804097054 /nfs/dbraw/zinc/09/70/54/804097054.db2.gz TYPZYCJAEIZMIH-ZDUSSCGKSA-N 1 2 275.352 0.479 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001219205219 804236543 /nfs/dbraw/zinc/23/65/43/804236543.db2.gz YWOTZWHMCMWOCO-UPJWGTAASA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001219205219 804236550 /nfs/dbraw/zinc/23/65/50/804236550.db2.gz YWOTZWHMCMWOCO-UPJWGTAASA-N 1 2 297.399 0.029 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219591904 804363077 /nfs/dbraw/zinc/36/30/77/804363077.db2.gz ZLEISIYKXLULHU-MNOVXSKESA-N 1 2 290.285 0.514 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219591904 804363086 /nfs/dbraw/zinc/36/30/86/804363086.db2.gz ZLEISIYKXLULHU-MNOVXSKESA-N 1 2 290.285 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CCC)[C@@H](O)C1 ZINC001083455860 815012539 /nfs/dbraw/zinc/01/25/39/815012539.db2.gz WHFCAKPZLJWCRK-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CCC)[C@@H](O)C1 ZINC001083455860 815012541 /nfs/dbraw/zinc/01/25/41/815012541.db2.gz WHFCAKPZLJWCRK-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)[C@@H](O)C1 ZINC001220232464 804545303 /nfs/dbraw/zinc/54/53/03/804545303.db2.gz XKNNZVCSHKMZEM-KGLIPLIRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CCC)CCC)[C@@H](O)C1 ZINC001220232464 804545305 /nfs/dbraw/zinc/54/53/05/804545305.db2.gz XKNNZVCSHKMZEM-KGLIPLIRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)[C@@H](O)C1 ZINC001220280126 804560342 /nfs/dbraw/zinc/56/03/42/804560342.db2.gz AKSMDYVYSMITCY-OLZOCXBDSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)[C@@H](O)C1 ZINC001220280126 804560347 /nfs/dbraw/zinc/56/03/47/804560347.db2.gz AKSMDYVYSMITCY-OLZOCXBDSA-N 1 2 262.353 0.527 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC(C)C)[C@@H](O)C1 ZINC001220404944 804597780 /nfs/dbraw/zinc/59/77/80/804597780.db2.gz GUCYFZZXGOTTKX-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)C)[C@@H](O)C1 ZINC001220404944 804597785 /nfs/dbraw/zinc/59/77/85/804597785.db2.gz GUCYFZZXGOTTKX-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001221145976 804735305 /nfs/dbraw/zinc/73/53/05/804735305.db2.gz RGGDNQCAUNJJLG-VTCRPIGSSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001221145976 804735308 /nfs/dbraw/zinc/73/53/08/804735308.db2.gz RGGDNQCAUNJJLG-VTCRPIGSSA-N 1 2 288.775 0.491 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276833862 804929681 /nfs/dbraw/zinc/92/96/81/804929681.db2.gz HBFKOSAFJHBOAG-UONOGXRCSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276833862 804929689 /nfs/dbraw/zinc/92/96/89/804929689.db2.gz HBFKOSAFJHBOAG-UONOGXRCSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001276852158 804940686 /nfs/dbraw/zinc/94/06/86/804940686.db2.gz GRBBNRUDRFZQST-CYBMUJFWSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001276852158 804940693 /nfs/dbraw/zinc/94/06/93/804940693.db2.gz GRBBNRUDRFZQST-CYBMUJFWSA-N 1 2 291.351 0.713 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001276898473 804979374 /nfs/dbraw/zinc/97/93/74/804979374.db2.gz KVJJEBWKLMPWDW-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001276898473 804979382 /nfs/dbraw/zinc/97/93/82/804979382.db2.gz KVJJEBWKLMPWDW-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cccc(C#N)c1 ZINC001276954042 805017766 /nfs/dbraw/zinc/01/77/66/805017766.db2.gz VDVNXRPDUIHTGV-GASCZTMLSA-N 1 2 284.363 0.909 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1cccc(C#N)c1 ZINC001276954042 805017776 /nfs/dbraw/zinc/01/77/76/805017776.db2.gz VDVNXRPDUIHTGV-GASCZTMLSA-N 1 2 284.363 0.909 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1CC#N ZINC001088674352 815054662 /nfs/dbraw/zinc/05/46/62/815054662.db2.gz GVGJFQGYWPFGLQ-DYEKYZERSA-N 1 2 287.367 0.548 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226404644 805226023 /nfs/dbraw/zinc/22/60/23/805226023.db2.gz AEWJIAJEQWEJJA-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226404644 805226033 /nfs/dbraw/zinc/22/60/33/805226033.db2.gz AEWJIAJEQWEJJA-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4nccn4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226580982 805250182 /nfs/dbraw/zinc/25/01/82/805250182.db2.gz IWCSOOYPEQNTLV-OTDFPYDRSA-N 1 2 272.308 0.721 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4nccn4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226580982 805250188 /nfs/dbraw/zinc/25/01/88/805250188.db2.gz IWCSOOYPEQNTLV-OTDFPYDRSA-N 1 2 272.308 0.721 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001226625589 805257526 /nfs/dbraw/zinc/25/75/26/805257526.db2.gz MNQUEGQCJAXIIJ-JTQLQIEISA-N 1 2 276.344 0.055 20 30 CCEDLO C[N@@H+]1CCO[C@H](COc2ccccc2C(=O)NO)C1 ZINC001227015087 805310427 /nfs/dbraw/zinc/31/04/27/805310427.db2.gz MLSRDGKFIQUBDD-JTQLQIEISA-N 1 2 266.297 0.515 20 30 CCEDLO C[N@H+]1CCO[C@H](COc2ccccc2C(=O)NO)C1 ZINC001227015087 805310440 /nfs/dbraw/zinc/31/04/40/805310440.db2.gz MLSRDGKFIQUBDD-JTQLQIEISA-N 1 2 266.297 0.515 20 30 CCEDLO Cn1cnc2nc(=O)[nH]c(O[C@H](CC#N)C[N+](C)(C)C)c21 ZINC001228676541 805467814 /nfs/dbraw/zinc/46/78/14/805467814.db2.gz JGBXLSHUJFTFFH-SECBINFHSA-O 1 2 291.335 0.436 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N/C(C)=C\C(=O)C(F)(F)F)C[NH2+]1 ZINC001246284510 807206832 /nfs/dbraw/zinc/20/68/32/807206832.db2.gz ODDNMLNLJMJASR-HGMQHHKOSA-N 1 2 280.246 0.515 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CN1 ZINC001246945338 807437858 /nfs/dbraw/zinc/43/78/58/807437858.db2.gz LCBNWNSXGWAQRQ-MDZLAQPJSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)CN1 ZINC001246945338 807437862 /nfs/dbraw/zinc/43/78/62/807437862.db2.gz LCBNWNSXGWAQRQ-MDZLAQPJSA-N 1 2 251.330 0.516 20 30 CCEDLO CCCc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126827760 815142000 /nfs/dbraw/zinc/14/20/00/815142000.db2.gz BIRYTTPGDLYURV-UHFFFAOYSA-N 1 2 278.356 0.887 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001251880483 807730996 /nfs/dbraw/zinc/73/09/96/807730996.db2.gz AIZLOFJIQXSJJU-TUAOUCFPSA-N 1 2 257.330 0.174 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001253567859 808081475 /nfs/dbraw/zinc/08/14/75/808081475.db2.gz VKEQLECQDNYXAV-NSHDSACASA-N 1 2 279.340 0.812 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001253567859 808081478 /nfs/dbraw/zinc/08/14/78/808081478.db2.gz VKEQLECQDNYXAV-NSHDSACASA-N 1 2 279.340 0.812 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001253567858 808081509 /nfs/dbraw/zinc/08/15/09/808081509.db2.gz VKEQLECQDNYXAV-LLVKDONJSA-N 1 2 279.340 0.812 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001253567858 808081517 /nfs/dbraw/zinc/08/15/17/808081517.db2.gz VKEQLECQDNYXAV-LLVKDONJSA-N 1 2 279.340 0.812 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(C)=O)C1 ZINC001278733494 808101009 /nfs/dbraw/zinc/10/10/09/808101009.db2.gz HSSGWBQWPAOQDL-NSHDSACASA-N 1 2 289.326 0.382 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(C)=O)C1 ZINC001278733494 808101011 /nfs/dbraw/zinc/10/10/11/808101011.db2.gz HSSGWBQWPAOQDL-NSHDSACASA-N 1 2 289.326 0.382 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126875100 815174885 /nfs/dbraw/zinc/17/48/85/815174885.db2.gz ADHBOFNUMRMBSX-JTQLQIEISA-N 1 2 292.339 0.396 20 30 CCEDLO C=CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781570 808232277 /nfs/dbraw/zinc/23/22/77/808232277.db2.gz KNGBVFZHUTYGSH-SCZZXKLOSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781570 808232284 /nfs/dbraw/zinc/23/22/84/808232284.db2.gz KNGBVFZHUTYGSH-SCZZXKLOSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278781570 808232291 /nfs/dbraw/zinc/23/22/91/808232291.db2.gz KNGBVFZHUTYGSH-SCZZXKLOSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278781570 808232299 /nfs/dbraw/zinc/23/22/99/808232299.db2.gz KNGBVFZHUTYGSH-SCZZXKLOSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(COC)no2)C1 ZINC001254557591 808260286 /nfs/dbraw/zinc/26/02/86/808260286.db2.gz SDNAAPBAHHZDAK-JTQLQIEISA-N 1 2 253.302 0.993 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(COC)no2)C1 ZINC001254557591 808260288 /nfs/dbraw/zinc/26/02/88/808260288.db2.gz SDNAAPBAHHZDAK-JTQLQIEISA-N 1 2 253.302 0.993 20 30 CCEDLO N#Cc1cnc(NC(=O)[C@H]2CC3CC[NH+]2CC3)cn1 ZINC001142624042 815205528 /nfs/dbraw/zinc/20/55/28/815205528.db2.gz GBGVRCPKZADPDM-LLVKDONJSA-N 1 2 257.297 0.771 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001088824393 815213462 /nfs/dbraw/zinc/21/34/62/815213462.db2.gz BVQLCGCTYAOSMO-ZJUUUORDSA-N 1 2 296.758 0.715 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001088824393 815213464 /nfs/dbraw/zinc/21/34/64/815213464.db2.gz BVQLCGCTYAOSMO-ZJUUUORDSA-N 1 2 296.758 0.715 20 30 CCEDLO CN(C)C(=O)c1nc(C[NH2+]C2CCC(C#N)CC2)no1 ZINC001256953795 808571957 /nfs/dbraw/zinc/57/19/57/808571957.db2.gz NEZGIZBBGSMEBO-UHFFFAOYSA-N 1 2 277.328 0.943 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088830969 815232321 /nfs/dbraw/zinc/23/23/21/815232321.db2.gz NZUHQDVJTMPRLD-KCJUWKMLSA-N 1 2 292.364 0.184 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088830969 815232323 /nfs/dbraw/zinc/23/23/23/815232323.db2.gz NZUHQDVJTMPRLD-KCJUWKMLSA-N 1 2 292.364 0.184 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137424 815248238 /nfs/dbraw/zinc/24/82/38/815248238.db2.gz SRGIZMKTEXEROX-VHSXEESVSA-N 1 2 296.762 0.109 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137424 815248242 /nfs/dbraw/zinc/24/82/42/815248242.db2.gz SRGIZMKTEXEROX-VHSXEESVSA-N 1 2 296.762 0.109 20 30 CCEDLO C=CCCCN(CC)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001262221807 809250474 /nfs/dbraw/zinc/25/04/74/809250474.db2.gz ASGYNWJTMMJWBS-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C#CCC1([NH2+]Cc2nc(CS(C)(=O)=O)no2)CCC1 ZINC001262321134 809275646 /nfs/dbraw/zinc/27/56/46/809275646.db2.gz CTLKTKPQIZPLNH-UHFFFAOYSA-N 1 2 283.353 0.650 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076343389 815279148 /nfs/dbraw/zinc/27/91/48/815279148.db2.gz BKMVCDJSWFQQQK-SGMGOOAPSA-N 1 2 287.367 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076343389 815279151 /nfs/dbraw/zinc/27/91/51/815279151.db2.gz BKMVCDJSWFQQQK-SGMGOOAPSA-N 1 2 287.367 0.645 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001263752752 809563000 /nfs/dbraw/zinc/56/30/00/809563000.db2.gz QVHNOMXHJIGCRK-LLVKDONJSA-N 1 2 264.329 0.860 20 30 CCEDLO COCC#CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001264011030 809621728 /nfs/dbraw/zinc/62/17/28/809621728.db2.gz SWEIDVSBUGWMJO-UHFFFAOYSA-N 1 2 261.325 0.776 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168366738 815307645 /nfs/dbraw/zinc/30/76/45/815307645.db2.gz FDUBGEJEFCPVSP-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168366738 815307653 /nfs/dbraw/zinc/30/76/53/815307653.db2.gz FDUBGEJEFCPVSP-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@H](C)C#N)Cc1ncnn1C ZINC001265106818 809709124 /nfs/dbraw/zinc/70/91/24/809709124.db2.gz SJVPNUXYTKZYFL-LLVKDONJSA-N 1 2 278.360 0.303 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@H](C)C#N)Cc1ncnn1C ZINC001265106818 809709128 /nfs/dbraw/zinc/70/91/28/809709128.db2.gz SJVPNUXYTKZYFL-LLVKDONJSA-N 1 2 278.360 0.303 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1CCN(CC#N)C1)n1cc[nH+]c1 ZINC001265305884 809754337 /nfs/dbraw/zinc/75/43/37/809754337.db2.gz GBJRPQLDLITFNB-NWDGAFQWSA-N 1 2 261.329 0.548 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001265905152 809890281 /nfs/dbraw/zinc/89/02/81/809890281.db2.gz BIKVJRISNOHNDY-NSHDSACASA-N 1 2 294.380 0.269 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076649993 815327741 /nfs/dbraw/zinc/32/77/41/815327741.db2.gz KGACNZPYBULJGN-ZIAGYGMSSA-N 1 2 289.335 0.248 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076649993 815327749 /nfs/dbraw/zinc/32/77/49/815327749.db2.gz KGACNZPYBULJGN-ZIAGYGMSSA-N 1 2 289.335 0.248 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC001266229585 809968727 /nfs/dbraw/zinc/96/87/27/809968727.db2.gz JOTYDQHNNWBBBZ-LLVKDONJSA-N 1 2 294.380 0.382 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC001266229585 809968729 /nfs/dbraw/zinc/96/87/29/809968729.db2.gz JOTYDQHNNWBBBZ-LLVKDONJSA-N 1 2 294.380 0.382 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001076720655 815355061 /nfs/dbraw/zinc/35/50/61/815355061.db2.gz HIHLHPMBGVIINH-VXGBXAGGSA-N 1 2 264.350 0.546 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001076720655 815355066 /nfs/dbraw/zinc/35/50/66/815355066.db2.gz HIHLHPMBGVIINH-VXGBXAGGSA-N 1 2 264.350 0.546 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076745995 815359374 /nfs/dbraw/zinc/35/93/74/815359374.db2.gz IDVCOLLFINPLRE-RKDXNWHRSA-N 1 2 270.716 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076745995 815359379 /nfs/dbraw/zinc/35/93/79/815359379.db2.gz IDVCOLLFINPLRE-RKDXNWHRSA-N 1 2 270.716 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076747727 815359939 /nfs/dbraw/zinc/35/99/39/815359939.db2.gz OCLDKNVAEXEHNC-NXEZZACHSA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076747727 815359945 /nfs/dbraw/zinc/35/99/45/815359945.db2.gz OCLDKNVAEXEHNC-NXEZZACHSA-N 1 2 282.727 0.731 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001076838673 815388559 /nfs/dbraw/zinc/38/85/59/815388559.db2.gz IAKHURBGMAQWMO-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001076838673 815388565 /nfs/dbraw/zinc/38/85/65/815388565.db2.gz IAKHURBGMAQWMO-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)c[nH]1 ZINC001076905962 815409894 /nfs/dbraw/zinc/40/98/94/815409894.db2.gz HWNJTBOMPFCCOX-JZIZGNRHSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)c[nH]1 ZINC001076905962 815409896 /nfs/dbraw/zinc/40/98/96/815409896.db2.gz HWNJTBOMPFCCOX-JZIZGNRHSA-N 1 2 294.742 0.414 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001076985159 815427112 /nfs/dbraw/zinc/42/71/12/815427112.db2.gz WHFCAKPZLJWCRK-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001076985159 815427115 /nfs/dbraw/zinc/42/71/15/815427115.db2.gz WHFCAKPZLJWCRK-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001038288333 811225629 /nfs/dbraw/zinc/22/56/29/811225629.db2.gz PAKJZXCTBBZXIT-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001038288333 811225632 /nfs/dbraw/zinc/22/56/32/811225632.db2.gz PAKJZXCTBBZXIT-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038292114 811242185 /nfs/dbraw/zinc/24/21/85/811242185.db2.gz FUJGGRWUIXSMLE-ZDUSSCGKSA-N 1 2 283.331 0.619 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038292114 811242192 /nfs/dbraw/zinc/24/21/92/811242192.db2.gz FUJGGRWUIXSMLE-ZDUSSCGKSA-N 1 2 283.331 0.619 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001077064445 815440626 /nfs/dbraw/zinc/44/06/26/815440626.db2.gz IINNNPUVSXSWOY-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001077064445 815440628 /nfs/dbraw/zinc/44/06/28/815440628.db2.gz IINNNPUVSXSWOY-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC001098592742 811429914 /nfs/dbraw/zinc/42/99/14/811429914.db2.gz YAWCAACVMWWSGP-ZDUSSCGKSA-N 1 2 273.340 0.184 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001077165596 815453661 /nfs/dbraw/zinc/45/36/61/815453661.db2.gz UVGMXEIXKDFKOJ-CHWSQXEVSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001077165596 815453662 /nfs/dbraw/zinc/45/36/62/815453662.db2.gz UVGMXEIXKDFKOJ-CHWSQXEVSA-N 1 2 292.310 0.242 20 30 CCEDLO CC1(C)CO[C@H](C[NH+]2CC(NC(=O)CSCC#N)C2)C1 ZINC001267637448 811598463 /nfs/dbraw/zinc/59/84/63/811598463.db2.gz VQOZOWBJABKTDG-LBPRGKRZSA-N 1 2 297.424 0.859 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001267639218 811600400 /nfs/dbraw/zinc/60/04/00/811600400.db2.gz AFJPFLHUZXTLLS-GHMZBOCLSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCCCCNC(C)=O)C1 ZINC001267669366 811633183 /nfs/dbraw/zinc/63/31/83/811633183.db2.gz XMRFAQHTJAVCFQ-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001267711536 811673304 /nfs/dbraw/zinc/67/33/04/811673304.db2.gz ZVZFEMVIDBMBNT-AGIUHOORSA-N 1 2 295.358 0.159 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCF ZINC001267711536 811673307 /nfs/dbraw/zinc/67/33/07/811673307.db2.gz ZVZFEMVIDBMBNT-AGIUHOORSA-N 1 2 295.358 0.159 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cscn2)C1 ZINC001267738612 811715820 /nfs/dbraw/zinc/71/58/20/811715820.db2.gz MCQHRIXIDNLUQL-SNVBAGLBSA-N 1 2 294.380 0.249 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cscn2)C1 ZINC001267738612 811715830 /nfs/dbraw/zinc/71/58/30/811715830.db2.gz MCQHRIXIDNLUQL-SNVBAGLBSA-N 1 2 294.380 0.249 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825729 811735131 /nfs/dbraw/zinc/73/51/31/811735131.db2.gz MRBGVKSWFKXAHB-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001077303122 815476718 /nfs/dbraw/zinc/47/67/18/815476718.db2.gz PEYKOJRRATUNCW-HUUCEWRRSA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001077303122 815476722 /nfs/dbraw/zinc/47/67/22/815476722.db2.gz PEYKOJRRATUNCW-HUUCEWRRSA-N 1 2 299.374 0.757 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001038370257 811842950 /nfs/dbraw/zinc/84/29/50/811842950.db2.gz BCLWKDOOBHLCOM-LBPRGKRZSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001038370257 811842959 /nfs/dbraw/zinc/84/29/59/811842959.db2.gz BCLWKDOOBHLCOM-LBPRGKRZSA-N 1 2 299.330 0.455 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105125494 811849860 /nfs/dbraw/zinc/84/98/60/811849860.db2.gz PNELTDZBKZEBJX-UHFFFAOYSA-N 1 2 261.329 0.184 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001267914655 811867979 /nfs/dbraw/zinc/86/79/79/811867979.db2.gz XZBKONMLYCMTPA-CYBMUJFWSA-N 1 2 279.384 0.812 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267914655 811867987 /nfs/dbraw/zinc/86/79/87/811867987.db2.gz XZBKONMLYCMTPA-CYBMUJFWSA-N 1 2 279.384 0.812 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)nn1 ZINC001105288469 811892345 /nfs/dbraw/zinc/89/23/45/811892345.db2.gz MLIYOSNYQWKAPZ-MLGOLLRUSA-N 1 2 299.378 0.574 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)C(C)C)C2)nn1 ZINC001105303261 811901434 /nfs/dbraw/zinc/90/14/34/811901434.db2.gz HVIHPWDUWLOUBA-ZDUSSCGKSA-N 1 2 293.346 0.378 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125978611 811960610 /nfs/dbraw/zinc/96/06/10/811960610.db2.gz VLHOEDLWGGKCSD-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001268019806 811965789 /nfs/dbraw/zinc/96/57/89/811965789.db2.gz RVBPIPFBFFWJGV-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001268019806 811965792 /nfs/dbraw/zinc/96/57/92/811965792.db2.gz RVBPIPFBFFWJGV-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001038703606 811976180 /nfs/dbraw/zinc/97/61/80/811976180.db2.gz KSNXMLCGNGRELR-ZFWWWQNUSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001038703606 811976184 /nfs/dbraw/zinc/97/61/84/811976184.db2.gz KSNXMLCGNGRELR-ZFWWWQNUSA-N 1 2 269.348 0.620 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001268028589 812014963 /nfs/dbraw/zinc/01/49/63/812014963.db2.gz JKLGERBCMDDPCK-GXTWGEPZSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001268028589 812014970 /nfs/dbraw/zinc/01/49/70/812014970.db2.gz JKLGERBCMDDPCK-GXTWGEPZSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCn2cc(C)cn2)C1 ZINC001268029643 812024736 /nfs/dbraw/zinc/02/47/36/812024736.db2.gz WSRSTBJFQWWFFE-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCn2cc(C)cn2)C1 ZINC001268029643 812024743 /nfs/dbraw/zinc/02/47/43/812024743.db2.gz WSRSTBJFQWWFFE-CQSZACIVSA-N 1 2 292.383 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001083316111 812102403 /nfs/dbraw/zinc/10/24/03/812102403.db2.gz KDLOQLYXMYYSLH-OLZOCXBDSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001083316111 812102409 /nfs/dbraw/zinc/10/24/09/812102409.db2.gz KDLOQLYXMYYSLH-OLZOCXBDSA-N 1 2 250.342 0.361 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098632232 812133191 /nfs/dbraw/zinc/13/31/91/812133191.db2.gz AKILIZQEPZELNX-PWSUYJOCSA-N 1 2 294.334 0.270 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038859270 812258371 /nfs/dbraw/zinc/25/83/71/812258371.db2.gz CERYXNHBCVIEAK-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038859270 812258379 /nfs/dbraw/zinc/25/83/79/812258379.db2.gz CERYXNHBCVIEAK-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO CC(C)C[C@H](CNCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001268115562 812274470 /nfs/dbraw/zinc/27/44/70/812274470.db2.gz UWVZJCUJHSOSOD-CYBMUJFWSA-N 1 2 291.399 0.997 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130751 812299656 /nfs/dbraw/zinc/29/96/56/812299656.db2.gz UZWZQXRQNMZWFT-VXGBXAGGSA-N 1 2 287.367 0.934 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001083323571 812516657 /nfs/dbraw/zinc/51/66/57/812516657.db2.gz LVNOREAIZKEPDY-MNOVXSKESA-N 1 2 250.323 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001083323571 812516666 /nfs/dbraw/zinc/51/66/66/812516666.db2.gz LVNOREAIZKEPDY-MNOVXSKESA-N 1 2 250.323 0.156 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001126360208 812630617 /nfs/dbraw/zinc/63/06/17/812630617.db2.gz KEULXDOMUWWKSU-CQSZACIVSA-N 1 2 281.356 0.770 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001126379019 812821690 /nfs/dbraw/zinc/82/16/90/812821690.db2.gz VVEJGLIOXFBCRS-NSHDSACASA-N 1 2 270.358 0.071 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001126379018 812823681 /nfs/dbraw/zinc/82/36/81/812823681.db2.gz VVEJGLIOXFBCRS-LLVKDONJSA-N 1 2 270.358 0.071 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)C1 ZINC001268878817 813130316 /nfs/dbraw/zinc/13/03/16/813130316.db2.gz DCVYUBQWDHXGNB-UHFFFAOYSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268945322 813155295 /nfs/dbraw/zinc/15/52/95/813155295.db2.gz APVMPLOHANTXMD-UHFFFAOYSA-N 1 2 270.336 0.727 20 30 CCEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001268951244 813156264 /nfs/dbraw/zinc/15/62/64/813156264.db2.gz JEYDOWNANXCUQF-OKILXGFUSA-N 1 2 272.352 0.998 20 30 CCEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001268951244 813156268 /nfs/dbraw/zinc/15/62/68/813156268.db2.gz JEYDOWNANXCUQF-OKILXGFUSA-N 1 2 272.352 0.998 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001268964546 813160742 /nfs/dbraw/zinc/16/07/42/813160742.db2.gz CSEDEOFYKWTUFI-RWMBFGLXSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001268964546 813160745 /nfs/dbraw/zinc/16/07/45/813160745.db2.gz CSEDEOFYKWTUFI-RWMBFGLXSA-N 1 2 277.368 0.516 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269113310 813221136 /nfs/dbraw/zinc/22/11/36/813221136.db2.gz SHVDKNSLQWRNAG-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269113310 813221142 /nfs/dbraw/zinc/22/11/42/813221142.db2.gz SHVDKNSLQWRNAG-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](O)C1 ZINC001083648254 815603812 /nfs/dbraw/zinc/60/38/12/815603812.db2.gz QROBUQSDRMTODR-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](O)C1 ZINC001083648254 815603815 /nfs/dbraw/zinc/60/38/15/815603815.db2.gz QROBUQSDRMTODR-NEPJUHHUSA-N 1 2 289.335 0.269 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001269206305 813266070 /nfs/dbraw/zinc/26/60/70/813266070.db2.gz USHYTHKLQFVBBR-UKRRQHHQSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001269206305 813266077 /nfs/dbraw/zinc/26/60/77/813266077.db2.gz USHYTHKLQFVBBR-UKRRQHHQSA-N 1 2 294.395 0.642 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001269224544 813273704 /nfs/dbraw/zinc/27/37/04/813273704.db2.gz WREBHZVSXDIHPR-WFASDCNBSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001269224544 813273710 /nfs/dbraw/zinc/27/37/10/813273710.db2.gz WREBHZVSXDIHPR-WFASDCNBSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(N)=O)C1 ZINC001269250334 813291192 /nfs/dbraw/zinc/29/11/92/813291192.db2.gz CQOSJUAXPVZNDB-JTQLQIEISA-N 1 2 287.791 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(N)=O)C1 ZINC001269250334 813291195 /nfs/dbraw/zinc/29/11/95/813291195.db2.gz CQOSJUAXPVZNDB-JTQLQIEISA-N 1 2 287.791 0.783 20 30 CCEDLO CC(C)C#CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001269407002 813359778 /nfs/dbraw/zinc/35/97/78/813359778.db2.gz BTTMMWMTKNHCKC-UHFFFAOYSA-N 1 2 278.381 0.936 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)COCc2nccn2C)C1 ZINC001269805605 813514432 /nfs/dbraw/zinc/51/44/32/813514432.db2.gz HSTFNPSMTKQMPD-UHFFFAOYSA-N 1 2 292.383 0.655 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001270435963 813761921 /nfs/dbraw/zinc/76/19/21/813761921.db2.gz IVAAMHVCQFWESP-NWDGAFQWSA-N 1 2 275.356 0.311 20 30 CCEDLO CC#CC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270717034 813904742 /nfs/dbraw/zinc/90/47/42/813904742.db2.gz SVDNFROEELOSCP-UHFFFAOYSA-N 1 2 282.347 0.564 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038435355 813995712 /nfs/dbraw/zinc/99/57/12/813995712.db2.gz RRRPOOWATASOIE-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038435355 813995714 /nfs/dbraw/zinc/99/57/14/813995714.db2.gz RRRPOOWATASOIE-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001029245187 814012650 /nfs/dbraw/zinc/01/26/50/814012650.db2.gz QIKKEKBCDRRISK-RWMBFGLXSA-N 1 2 287.367 0.755 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC)[C@H](OC)C1 ZINC001211868865 814031513 /nfs/dbraw/zinc/03/15/13/814031513.db2.gz SJCGEYSCZSJHJK-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC)[C@H](OC)C1 ZINC001211868865 814031517 /nfs/dbraw/zinc/03/15/17/814031517.db2.gz SJCGEYSCZSJHJK-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029421686 814217047 /nfs/dbraw/zinc/21/70/47/814217047.db2.gz IKNUFKKJQYVGEZ-SDDRHHMPSA-N 1 2 279.384 0.748 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029421686 814217055 /nfs/dbraw/zinc/21/70/55/814217055.db2.gz IKNUFKKJQYVGEZ-SDDRHHMPSA-N 1 2 279.384 0.748 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418026 814228491 /nfs/dbraw/zinc/22/84/91/814228491.db2.gz ODHWFCUAGWETQD-RTXFEEFZSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418026 814228497 /nfs/dbraw/zinc/22/84/97/814228497.db2.gz ODHWFCUAGWETQD-RTXFEEFZSA-N 1 2 294.330 0.409 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001271262168 814354854 /nfs/dbraw/zinc/35/48/54/814354854.db2.gz BAKKOOFOYHNDAG-VOTSOKGWSA-N 1 2 296.411 0.954 20 30 CCEDLO O=C(C#CC1CC1)NCC1(O)C[NH+](CC2CC(F)(F)C2)C1 ZINC001271282074 814366731 /nfs/dbraw/zinc/36/67/31/814366731.db2.gz QZAWITLYTLHHNN-UHFFFAOYSA-N 1 2 298.333 0.608 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001271303859 814372160 /nfs/dbraw/zinc/37/21/60/814372160.db2.gz NWZSDCOVUHEMJT-JTQLQIEISA-N 1 2 274.311 0.771 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2(O)C[NH+](CCCF)C2)cn1 ZINC001271380159 814398160 /nfs/dbraw/zinc/39/81/60/814398160.db2.gz GHRGWTRJLAHUCI-UHFFFAOYSA-N 1 2 291.326 0.199 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001127051675 815605325 /nfs/dbraw/zinc/60/53/25/815605325.db2.gz LBDXVUUGBFQACN-NXEZZACHSA-N 1 2 280.328 0.183 20 30 CCEDLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001271721384 814529538 /nfs/dbraw/zinc/52/95/38/814529538.db2.gz NFDUCFWPGZARGI-UONOGXRCSA-N 1 2 289.383 0.871 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1=CCCC1 ZINC001271989655 814667045 /nfs/dbraw/zinc/66/70/45/814667045.db2.gz NQUFWODJKSOWRS-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1=CCCC1 ZINC001271989655 814667047 /nfs/dbraw/zinc/66/70/47/814667047.db2.gz NQUFWODJKSOWRS-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC1(C)C ZINC001271997678 814671400 /nfs/dbraw/zinc/67/14/00/814671400.db2.gz CSAUTVGUBJIQHX-GFCCVEGCSA-N 1 2 281.400 0.725 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC1(C)C ZINC001271997678 814671406 /nfs/dbraw/zinc/67/14/06/814671406.db2.gz CSAUTVGUBJIQHX-GFCCVEGCSA-N 1 2 281.400 0.725 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001059697515 814730440 /nfs/dbraw/zinc/73/04/40/814730440.db2.gz NWGHNTLTKIKBRX-PHIMTYICSA-N 1 2 297.322 0.373 20 30 CCEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001075885524 814860395 /nfs/dbraw/zinc/86/03/95/814860395.db2.gz BEOLYSMNZXCSDG-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO N#Cc1cc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)c[nH]1 ZINC001030234942 815916212 /nfs/dbraw/zinc/91/62/12/815916212.db2.gz KPVXSQVKSPSYJG-CQSZACIVSA-N 1 2 288.351 0.869 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001030429519 816032972 /nfs/dbraw/zinc/03/29/72/816032972.db2.gz XZUGLZLBJCZEQB-GFCCVEGCSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3ccncc23)C1 ZINC001030450695 816044585 /nfs/dbraw/zinc/04/45/85/816044585.db2.gz FEIJRYPWPYJTEG-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001098981355 816045145 /nfs/dbraw/zinc/04/51/45/816045145.db2.gz BGMQDUKWVZEHAL-MNOVXSKESA-N 1 2 280.372 0.238 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001098981355 816045149 /nfs/dbraw/zinc/04/51/49/816045149.db2.gz BGMQDUKWVZEHAL-MNOVXSKESA-N 1 2 280.372 0.238 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001030554236 816105556 /nfs/dbraw/zinc/10/55/56/816105556.db2.gz JTFKGVZGZGDCPM-LLVKDONJSA-N 1 2 272.352 0.257 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001030554236 816105560 /nfs/dbraw/zinc/10/55/60/816105560.db2.gz JTFKGVZGZGDCPM-LLVKDONJSA-N 1 2 272.352 0.257 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001030588371 816129046 /nfs/dbraw/zinc/12/90/46/816129046.db2.gz SWAFIOPFKHCYJW-MNOVXSKESA-N 1 2 265.357 0.278 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001077480415 816179378 /nfs/dbraw/zinc/17/93/78/816179378.db2.gz PKBUYVDUIJHPBV-VXGBXAGGSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001077480415 816179383 /nfs/dbraw/zinc/17/93/83/816179383.db2.gz PKBUYVDUIJHPBV-VXGBXAGGSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)nn2C)C1 ZINC001030672328 816203248 /nfs/dbraw/zinc/20/32/48/816203248.db2.gz UAEQKCQOWUAQRB-UHFFFAOYSA-N 1 2 260.341 0.095 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001089005636 816210654 /nfs/dbraw/zinc/21/06/54/816210654.db2.gz QZRSMOXEDOIGSM-MNOVXSKESA-N 1 2 261.329 0.363 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001030681381 816211731 /nfs/dbraw/zinc/21/17/31/816211731.db2.gz FDZVXGKTPFMLEZ-UHFFFAOYSA-N 1 2 291.351 0.764 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001030738198 816257747 /nfs/dbraw/zinc/25/77/47/816257747.db2.gz YCIPEAUUEPAHRE-HNNXBMFYSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001083696505 816455606 /nfs/dbraw/zinc/45/56/06/816455606.db2.gz CUXRRLODPYHUEW-NEPJUHHUSA-N 1 2 292.404 0.820 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001083696505 816455612 /nfs/dbraw/zinc/45/56/12/816455612.db2.gz CUXRRLODPYHUEW-NEPJUHHUSA-N 1 2 292.404 0.820 20 30 CCEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570485 816589840 /nfs/dbraw/zinc/58/98/40/816589840.db2.gz UMODTKGJLUXYHD-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570485 816589844 /nfs/dbraw/zinc/58/98/44/816589844.db2.gz UMODTKGJLUXYHD-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)nc2OC)C1 ZINC001031061934 816617705 /nfs/dbraw/zinc/61/77/05/816617705.db2.gz VPVUTLAAZAVDIK-UHFFFAOYSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001031066563 816622198 /nfs/dbraw/zinc/62/21/98/816622198.db2.gz GETFCVWHVDFDDO-UHFFFAOYSA-N 1 2 274.320 0.105 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)nn2C)C1 ZINC001031141602 816694731 /nfs/dbraw/zinc/69/47/31/816694731.db2.gz QGBVKAZBNQUIKT-UHFFFAOYSA-N 1 2 260.341 0.420 20 30 CCEDLO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106597935 816817863 /nfs/dbraw/zinc/81/78/63/816817863.db2.gz CAPHESRFARXXOK-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001031212991 816818882 /nfs/dbraw/zinc/81/88/82/816818882.db2.gz UAVMOXZJCHGCBY-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001106789772 816911087 /nfs/dbraw/zinc/91/10/87/816911087.db2.gz DNYPBLBPUJRDAI-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C#C)nc2)C1 ZINC001031278741 816924357 /nfs/dbraw/zinc/92/43/57/816924357.db2.gz WKLMJDZTEVSMRT-UHFFFAOYSA-N 1 2 253.305 0.500 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001031306372 816949117 /nfs/dbraw/zinc/94/91/17/816949117.db2.gz BSOCIOQJEBFQFW-UHFFFAOYSA-N 1 2 259.313 0.653 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001031311308 816958388 /nfs/dbraw/zinc/95/83/88/816958388.db2.gz NWSWXYDJUAPRPN-NSHDSACASA-N 1 2 265.357 0.422 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001031376352 817010929 /nfs/dbraw/zinc/01/09/29/817010929.db2.gz MHJZHGDPOKWDCE-UHFFFAOYSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001031405787 817035833 /nfs/dbraw/zinc/03/58/33/817035833.db2.gz NJCRASCNKRLASZ-CQSZACIVSA-N 1 2 291.395 0.457 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001031477820 817074388 /nfs/dbraw/zinc/07/43/88/817074388.db2.gz VBVIZPVFGBHUPP-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCC3OCCO3)C2)OCC1=O ZINC001272668236 817137755 /nfs/dbraw/zinc/13/77/55/817137755.db2.gz JHPNIGMCNLPSFD-UHFFFAOYSA-N 1 2 296.367 0.239 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001089711255 817326122 /nfs/dbraw/zinc/32/61/22/817326122.db2.gz PWJLMOYDQCXUNY-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001089711255 817326131 /nfs/dbraw/zinc/32/61/31/817326131.db2.gz PWJLMOYDQCXUNY-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001089711255 817326141 /nfs/dbraw/zinc/32/61/41/817326141.db2.gz PWJLMOYDQCXUNY-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001089711255 817326144 /nfs/dbraw/zinc/32/61/44/817326144.db2.gz PWJLMOYDQCXUNY-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038591905 817383839 /nfs/dbraw/zinc/38/38/39/817383839.db2.gz HVFPFPUIXSRPHB-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038591905 817383850 /nfs/dbraw/zinc/38/38/50/817383850.db2.gz HVFPFPUIXSRPHB-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124767520 817568103 /nfs/dbraw/zinc/56/81/03/817568103.db2.gz IHONJSARAHIPNE-VIFPVBQESA-N 1 2 270.358 0.508 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001124767929 817571453 /nfs/dbraw/zinc/57/14/53/817571453.db2.gz OOPYUQIDDBCMIM-LLVKDONJSA-N 1 2 267.329 0.952 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124889542 817617179 /nfs/dbraw/zinc/61/71/79/817617179.db2.gz RFGGYGJOIKWTKL-VIFPVBQESA-N 1 2 262.313 0.917 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124896861 817621881 /nfs/dbraw/zinc/62/18/81/817621881.db2.gz PZPBSECOHWGZAU-SFYZADRCSA-N 1 2 253.331 0.465 20 30 CCEDLO CCO[C@@H](C)c1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124902212 817624137 /nfs/dbraw/zinc/62/41/37/817624137.db2.gz HKXCBGQVIMJXTF-UWVGGRQHSA-N 1 2 295.343 0.533 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001032127187 817653332 /nfs/dbraw/zinc/65/33/32/817653332.db2.gz MBEVMKNXWMWJAK-GFCCVEGCSA-N 1 2 289.383 0.534 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001032127187 817653334 /nfs/dbraw/zinc/65/33/34/817653334.db2.gz MBEVMKNXWMWJAK-GFCCVEGCSA-N 1 2 289.383 0.534 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107080540 817718072 /nfs/dbraw/zinc/71/80/72/817718072.db2.gz PDXPXDGSLWUANE-UMBAGQNISA-N 1 2 299.338 0.607 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001125253064 817745945 /nfs/dbraw/zinc/74/59/45/817745945.db2.gz WUBJLVZARLHONJ-UHFFFAOYSA-N 1 2 268.317 0.258 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C=C(C)C)nn2)C1 ZINC001107124287 817775538 /nfs/dbraw/zinc/77/55/38/817775538.db2.gz XAGBKFLUTHMZMI-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C(C)=C/C)nn2)C1 ZINC001107155568 817795120 /nfs/dbraw/zinc/79/51/20/817795120.db2.gz FAIFOYULYGVQMY-VZUCSPMQSA-N 1 2 275.356 0.903 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C ZINC001032295935 817799271 /nfs/dbraw/zinc/79/92/71/817799271.db2.gz WOGYUBFSRAGFDH-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C ZINC001032295935 817799272 /nfs/dbraw/zinc/79/92/72/817799272.db2.gz WOGYUBFSRAGFDH-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000691284954 817839021 /nfs/dbraw/zinc/83/90/21/817839021.db2.gz PKAUDNCZOQDKPM-NEPJUHHUSA-N 1 2 271.386 0.503 20 30 CCEDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000691284954 817839034 /nfs/dbraw/zinc/83/90/34/817839034.db2.gz PKAUDNCZOQDKPM-NEPJUHHUSA-N 1 2 271.386 0.503 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001077591831 817857871 /nfs/dbraw/zinc/85/78/71/817857871.db2.gz OAABKWPRQGHTHX-CHWSQXEVSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001077591831 817857883 /nfs/dbraw/zinc/85/78/83/817857883.db2.gz OAABKWPRQGHTHX-CHWSQXEVSA-N 1 2 294.301 0.763 20 30 CCEDLO N#Cc1nccnc1NCC=CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539406 817876784 /nfs/dbraw/zinc/87/67/84/817876784.db2.gz LPDLHUPFNALRKT-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001077657514 817945031 /nfs/dbraw/zinc/94/50/31/817945031.db2.gz GDVDODKVXABXRQ-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001077657514 817945033 /nfs/dbraw/zinc/94/50/33/817945033.db2.gz GDVDODKVXABXRQ-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC)C1 ZINC001107712037 817957006 /nfs/dbraw/zinc/95/70/06/817957006.db2.gz QUEGPKZTBLFTTN-CYBMUJFWSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COCC)C1 ZINC001107712037 817957008 /nfs/dbraw/zinc/95/70/08/817957008.db2.gz QUEGPKZTBLFTTN-CYBMUJFWSA-N 1 2 256.346 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001077669818 817971968 /nfs/dbraw/zinc/97/19/68/817971968.db2.gz OWTMQURLLLNEJV-GHMZBOCLSA-N 1 2 291.376 0.429 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001077669818 817971971 /nfs/dbraw/zinc/97/19/71/817971971.db2.gz OWTMQURLLLNEJV-GHMZBOCLSA-N 1 2 291.376 0.429 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001107758444 817987441 /nfs/dbraw/zinc/98/74/41/817987441.db2.gz CCYRBYWMZXGXDT-HIFRSBDPSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001107758444 817987444 /nfs/dbraw/zinc/98/74/44/817987444.db2.gz CCYRBYWMZXGXDT-HIFRSBDPSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001107781621 818000941 /nfs/dbraw/zinc/00/09/41/818000941.db2.gz HYONBMVVMVWZKV-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001107781621 818000949 /nfs/dbraw/zinc/00/09/49/818000949.db2.gz HYONBMVVMVWZKV-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC(C)C)C1 ZINC001107789036 818006718 /nfs/dbraw/zinc/00/67/18/818006718.db2.gz WGXHITACTIPELU-CQSZACIVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC(C)C)C1 ZINC001107789036 818006722 /nfs/dbraw/zinc/00/67/22/818006722.db2.gz WGXHITACTIPELU-CQSZACIVSA-N 1 2 270.373 0.805 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C#CC1CC1 ZINC001078753014 818044041 /nfs/dbraw/zinc/04/40/41/818044041.db2.gz WPDYIYYRMPHIDT-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 ZINC001078796132 818050415 /nfs/dbraw/zinc/05/04/15/818050415.db2.gz WWDRALQNLQVAAB-CHWSQXEVSA-N 1 2 287.367 0.801 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001083806722 818058215 /nfs/dbraw/zinc/05/82/15/818058215.db2.gz OPYFPJSCVVOPJQ-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001083806722 818058224 /nfs/dbraw/zinc/05/82/24/818058224.db2.gz OPYFPJSCVVOPJQ-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973383 818087775 /nfs/dbraw/zinc/08/77/75/818087775.db2.gz MYZDVWMQSIRDGC-QWHCGFSZSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001089973383 818087783 /nfs/dbraw/zinc/08/77/83/818087783.db2.gz MYZDVWMQSIRDGC-QWHCGFSZSA-N 1 2 295.770 0.999 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(O)cc1)C2 ZINC001272953971 818117314 /nfs/dbraw/zinc/11/73/14/818117314.db2.gz WHVRKVLVIZOHNK-UHFFFAOYSA-N 1 2 286.331 0.439 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033026341 818439597 /nfs/dbraw/zinc/43/95/97/818439597.db2.gz VYUPMOVKJGIMBI-JTQLQIEISA-N 1 2 297.790 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 ZINC001033026341 818439600 /nfs/dbraw/zinc/43/96/00/818439600.db2.gz VYUPMOVKJGIMBI-JTQLQIEISA-N 1 2 297.790 0.901 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](O)C1 ZINC001083825920 818484172 /nfs/dbraw/zinc/48/41/72/818484172.db2.gz QMMQXFPXERKQNO-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](O)C1 ZINC001083825920 818484176 /nfs/dbraw/zinc/48/41/76/818484176.db2.gz QMMQXFPXERKQNO-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](O)C1 ZINC001083841396 818564562 /nfs/dbraw/zinc/56/45/62/818564562.db2.gz VAIMVGUOYNEUOZ-HIFRSBDPSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](O)C1 ZINC001083841396 818564566 /nfs/dbraw/zinc/56/45/66/818564566.db2.gz VAIMVGUOYNEUOZ-HIFRSBDPSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@@H](O)C1 ZINC001083845377 818580881 /nfs/dbraw/zinc/58/08/81/818580881.db2.gz XQVGFPUNXNHXBD-XGUBFFRZSA-N 1 2 292.379 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@@H](O)C1 ZINC001083845377 818580887 /nfs/dbraw/zinc/58/08/87/818580887.db2.gz XQVGFPUNXNHXBD-XGUBFFRZSA-N 1 2 292.379 0.152 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001033266802 818682158 /nfs/dbraw/zinc/68/21/58/818682158.db2.gz UFBZXLJECFAAMM-NSHDSACASA-N 1 2 290.319 0.428 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001033266802 818682163 /nfs/dbraw/zinc/68/21/63/818682163.db2.gz UFBZXLJECFAAMM-NSHDSACASA-N 1 2 290.319 0.428 20 30 CCEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001033388786 818755562 /nfs/dbraw/zinc/75/55/62/818755562.db2.gz DXHOZBVQJYSGHY-ZDUSSCGKSA-N 1 2 279.384 0.751 20 30 CCEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001033388786 818755571 /nfs/dbraw/zinc/75/55/71/818755571.db2.gz DXHOZBVQJYSGHY-ZDUSSCGKSA-N 1 2 279.384 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128883968 819128415 /nfs/dbraw/zinc/12/84/15/819128415.db2.gz RXHPQFKCNZTZNH-NEPJUHHUSA-N 1 2 291.330 0.516 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128883968 819128417 /nfs/dbraw/zinc/12/84/17/819128417.db2.gz RXHPQFKCNZTZNH-NEPJUHHUSA-N 1 2 291.330 0.516 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207663 819172095 /nfs/dbraw/zinc/17/20/95/819172095.db2.gz XJXXQUGJSYPZHY-JQWIXIFHSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207663 819172100 /nfs/dbraw/zinc/17/21/00/819172100.db2.gz XJXXQUGJSYPZHY-JQWIXIFHSA-N 1 2 299.758 0.901 20 30 CCEDLO N#CC1(c2ccc(-n3[nH]c(=O)nc3C[NH3+])nc2)CC1 ZINC001168755507 819280976 /nfs/dbraw/zinc/28/09/76/819280976.db2.gz DZLSPDJUJPFAHA-UHFFFAOYSA-N 1 2 256.269 0.382 20 30 CCEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](CO)C1 ZINC000703890511 819336918 /nfs/dbraw/zinc/33/69/18/819336918.db2.gz FKTCHIJYKTUVNY-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](CO)C1 ZINC000703890511 819336924 /nfs/dbraw/zinc/33/69/24/819336924.db2.gz FKTCHIJYKTUVNY-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035266679 819431062 /nfs/dbraw/zinc/43/10/62/819431062.db2.gz LHZJZYOQBSNTKN-ZDUSSCGKSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035266679 819431068 /nfs/dbraw/zinc/43/10/68/819431068.db2.gz LHZJZYOQBSNTKN-ZDUSSCGKSA-N 1 2 273.336 0.536 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccn2C)C1 ZINC001035294154 819440635 /nfs/dbraw/zinc/44/06/35/819440635.db2.gz IUBZRRKBYPSYKT-GFCCVEGCSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccn2C)C1 ZINC001035294154 819440640 /nfs/dbraw/zinc/44/06/40/819440640.db2.gz IUBZRRKBYPSYKT-GFCCVEGCSA-N 1 2 263.341 0.642 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001035281058 819447198 /nfs/dbraw/zinc/44/71/98/819447198.db2.gz KEDVIRPPKPVTOS-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001035281058 819447203 /nfs/dbraw/zinc/44/72/03/819447203.db2.gz KEDVIRPPKPVTOS-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303688 819454652 /nfs/dbraw/zinc/45/46/52/819454652.db2.gz SEELFHFCNWCVKG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303688 819454658 /nfs/dbraw/zinc/45/46/58/819454658.db2.gz SEELFHFCNWCVKG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129165447 819469361 /nfs/dbraw/zinc/46/93/61/819469361.db2.gz VFNFGDJDMMTUKX-NEPJUHHUSA-N 1 2 279.319 0.003 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129165447 819469367 /nfs/dbraw/zinc/46/93/67/819469367.db2.gz VFNFGDJDMMTUKX-NEPJUHHUSA-N 1 2 279.319 0.003 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035320069 819469453 /nfs/dbraw/zinc/46/94/53/819469453.db2.gz WKEVWWNUPWGQEJ-NEPJUHHUSA-N 1 2 254.330 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035320069 819469457 /nfs/dbraw/zinc/46/94/57/819469457.db2.gz WKEVWWNUPWGQEJ-NEPJUHHUSA-N 1 2 254.330 0.026 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035326645 819472840 /nfs/dbraw/zinc/47/28/40/819472840.db2.gz GEYFDRFXEPYIJN-ZDUSSCGKSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035326645 819472844 /nfs/dbraw/zinc/47/28/44/819472844.db2.gz GEYFDRFXEPYIJN-ZDUSSCGKSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035343711 819481765 /nfs/dbraw/zinc/48/17/65/819481765.db2.gz PHSUJWOQVKNQJL-LBPRGKRZSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035343711 819481771 /nfs/dbraw/zinc/48/17/71/819481771.db2.gz PHSUJWOQVKNQJL-LBPRGKRZSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035349630 819493425 /nfs/dbraw/zinc/49/34/25/819493425.db2.gz XLUNHCJKIGYQDT-ZDUSSCGKSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035349630 819493428 /nfs/dbraw/zinc/49/34/28/819493428.db2.gz XLUNHCJKIGYQDT-ZDUSSCGKSA-N 1 2 276.340 0.402 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363330 819502547 /nfs/dbraw/zinc/50/25/47/819502547.db2.gz BJZUNKAHYYOLTI-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363330 819502550 /nfs/dbraw/zinc/50/25/50/819502550.db2.gz BJZUNKAHYYOLTI-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001035402968 819508573 /nfs/dbraw/zinc/50/85/73/819508573.db2.gz QNJLXUCCYSYIRW-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001035402968 819508579 /nfs/dbraw/zinc/50/85/79/819508579.db2.gz QNJLXUCCYSYIRW-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001035436869 819523450 /nfs/dbraw/zinc/52/34/50/819523450.db2.gz ACMSYTUVBHECLZ-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001035436869 819523455 /nfs/dbraw/zinc/52/34/55/819523455.db2.gz ACMSYTUVBHECLZ-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001035444193 819525511 /nfs/dbraw/zinc/52/55/11/819525511.db2.gz MUYDKDOJGHAHJC-SNVBAGLBSA-N 1 2 298.774 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001035444193 819525514 /nfs/dbraw/zinc/52/55/14/819525514.db2.gz MUYDKDOJGHAHJC-SNVBAGLBSA-N 1 2 298.774 0.690 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001035462708 819537048 /nfs/dbraw/zinc/53/70/48/819537048.db2.gz HUCNTDMUITZCGD-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001035462708 819537050 /nfs/dbraw/zinc/53/70/50/819537050.db2.gz HUCNTDMUITZCGD-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035470084 819538457 /nfs/dbraw/zinc/53/84/57/819538457.db2.gz OMOZHIUFUJWXJB-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035470084 819538461 /nfs/dbraw/zinc/53/84/61/819538461.db2.gz OMOZHIUFUJWXJB-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2C)C1 ZINC001035499026 819540639 /nfs/dbraw/zinc/54/06/39/819540639.db2.gz ITVUPLDCZBEEGY-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2C)C1 ZINC001035499026 819540643 /nfs/dbraw/zinc/54/06/43/819540643.db2.gz ITVUPLDCZBEEGY-CYBMUJFWSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001035505566 819542125 /nfs/dbraw/zinc/54/21/25/819542125.db2.gz KGMJEMOJGMUCBB-GFCCVEGCSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001035505566 819542127 /nfs/dbraw/zinc/54/21/27/819542127.db2.gz KGMJEMOJGMUCBB-GFCCVEGCSA-N 1 2 291.351 0.712 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001035511878 819544188 /nfs/dbraw/zinc/54/41/88/819544188.db2.gz ZWFOYGUCMDGEPW-MCIONIFRSA-N 1 2 298.383 0.041 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001035511878 819544191 /nfs/dbraw/zinc/54/41/91/819544191.db2.gz ZWFOYGUCMDGEPW-MCIONIFRSA-N 1 2 298.383 0.041 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2conc2C)C1 ZINC001035492228 819547897 /nfs/dbraw/zinc/54/78/97/819547897.db2.gz BVYNBVIMZHBISQ-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2conc2C)C1 ZINC001035492228 819547900 /nfs/dbraw/zinc/54/79/00/819547900.db2.gz BVYNBVIMZHBISQ-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064703001 820222446 /nfs/dbraw/zinc/22/24/46/820222446.db2.gz VRAHDJUIJAVHGJ-SNVBAGLBSA-N 1 2 289.339 0.267 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001080069053 820511896 /nfs/dbraw/zinc/51/18/96/820511896.db2.gz VWHKNJKRMWJSAA-IJLUTSLNSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001080069053 820511901 /nfs/dbraw/zinc/51/19/01/820511901.db2.gz VWHKNJKRMWJSAA-IJLUTSLNSA-N 1 2 286.397 0.044 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080659567 820610186 /nfs/dbraw/zinc/61/01/86/820610186.db2.gz QUKWSLJRABEDBG-HUUCEWRRSA-N 1 2 277.412 0.788 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081437721 820773274 /nfs/dbraw/zinc/77/32/74/820773274.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081437721 820773279 /nfs/dbraw/zinc/77/32/79/820773279.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](OC)C1 ZINC001081437721 820773288 /nfs/dbraw/zinc/77/32/88/820773288.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](OC)C1 ZINC001081437721 820773292 /nfs/dbraw/zinc/77/32/92/820773292.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 1 2 281.400 0.472 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C#N)ccc2C)C[NH2+]1 ZINC001164302130 820819187 /nfs/dbraw/zinc/81/91/87/820819187.db2.gz NTAFADNXMMRQKU-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@H](OC)C1 ZINC001081898124 820858270 /nfs/dbraw/zinc/85/82/70/820858270.db2.gz DKHYFCDONDAFBI-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@H](OC)C1 ZINC001081898124 820858278 /nfs/dbraw/zinc/85/82/78/820858278.db2.gz DKHYFCDONDAFBI-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@H](OC)C1 ZINC001081919447 820861991 /nfs/dbraw/zinc/86/19/91/820861991.db2.gz UKRGPCATUUBQEJ-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@H](OC)C1 ZINC001081919447 820862004 /nfs/dbraw/zinc/86/20/04/820862004.db2.gz UKRGPCATUUBQEJ-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H](OC)C1 ZINC001082070550 820894159 /nfs/dbraw/zinc/89/41/59/820894159.db2.gz JGZPIHLWGLIRRS-RBSFLKMASA-N 1 2 299.374 0.560 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H](OC)C1 ZINC001082070550 820894170 /nfs/dbraw/zinc/89/41/70/820894170.db2.gz JGZPIHLWGLIRRS-RBSFLKMASA-N 1 2 299.374 0.560 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 ZINC001082092798 820895026 /nfs/dbraw/zinc/89/50/26/820895026.db2.gz PDEYWURJABEUEI-CHWSQXEVSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 ZINC001082092798 820895033 /nfs/dbraw/zinc/89/50/33/820895033.db2.gz PDEYWURJABEUEI-CHWSQXEVSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@H](OC)C1 ZINC001082117312 820900963 /nfs/dbraw/zinc/90/09/63/820900963.db2.gz XGLKYEPQQQKRKV-CHWSQXEVSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@H](OC)C1 ZINC001082117312 820900968 /nfs/dbraw/zinc/90/09/68/820900968.db2.gz XGLKYEPQQQKRKV-CHWSQXEVSA-N 1 2 291.351 0.689 20 30 CCEDLO Cn1c[nH+]cc1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001119061835 821045364 /nfs/dbraw/zinc/04/53/64/821045364.db2.gz UODNACOZXCHBDS-ZDUSSCGKSA-N 1 2 269.308 0.608 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCO3)[C@H]2C1 ZINC001082992329 821093500 /nfs/dbraw/zinc/09/35/00/821093500.db2.gz WJUIQSZBQRDQKS-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCO3)[C@H]2C1 ZINC001082992329 821093503 /nfs/dbraw/zinc/09/35/03/821093503.db2.gz WJUIQSZBQRDQKS-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC001082998607 821094574 /nfs/dbraw/zinc/09/45/74/821094574.db2.gz YIKKMCVWKCGJJW-QWHCGFSZSA-N 1 2 259.309 0.173 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC001082998607 821094584 /nfs/dbraw/zinc/09/45/84/821094584.db2.gz YIKKMCVWKCGJJW-QWHCGFSZSA-N 1 2 259.309 0.173 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@H]2C1 ZINC001083148507 821146852 /nfs/dbraw/zinc/14/68/52/821146852.db2.gz QBEMHXCMLZRTQH-YHUYYLMFSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@H]2C1 ZINC001083148507 821146859 /nfs/dbraw/zinc/14/68/59/821146859.db2.gz QBEMHXCMLZRTQH-YHUYYLMFSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](O)C1 ZINC001083978582 821165216 /nfs/dbraw/zinc/16/52/16/821165216.db2.gz XRAFSMKAIDCZJF-OLZOCXBDSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](O)C1 ZINC001083978582 821165223 /nfs/dbraw/zinc/16/52/23/821165223.db2.gz XRAFSMKAIDCZJF-OLZOCXBDSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083988228 821168938 /nfs/dbraw/zinc/16/89/38/821168938.db2.gz WGINTHJLFAENJV-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083988228 821168942 /nfs/dbraw/zinc/16/89/42/821168942.db2.gz WGINTHJLFAENJV-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000712276748 821448515 /nfs/dbraw/zinc/44/85/15/821448515.db2.gz IRLOPEWYDUXKRZ-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000712276748 821448518 /nfs/dbraw/zinc/44/85/18/821448518.db2.gz IRLOPEWYDUXKRZ-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000712276864 821459935 /nfs/dbraw/zinc/45/99/35/821459935.db2.gz MDAWKJNNFOBFMC-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000712276864 821459942 /nfs/dbraw/zinc/45/99/42/821459942.db2.gz MDAWKJNNFOBFMC-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)ccc1C#N ZINC000712277059 821461381 /nfs/dbraw/zinc/46/13/81/821461381.db2.gz MZWUBZYDPIQLIK-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)ccc1C#N ZINC000712277059 821461384 /nfs/dbraw/zinc/46/13/84/821461384.db2.gz MZWUBZYDPIQLIK-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001085497159 821748805 /nfs/dbraw/zinc/74/88/05/821748805.db2.gz XKCQDSRQABCAHF-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001085497159 821748812 /nfs/dbraw/zinc/74/88/12/821748812.db2.gz XKCQDSRQABCAHF-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085565839 821797845 /nfs/dbraw/zinc/79/78/45/821797845.db2.gz UCTDYOKHFFELNN-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085565839 821797850 /nfs/dbraw/zinc/79/78/50/821797850.db2.gz UCTDYOKHFFELNN-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085635497 821865422 /nfs/dbraw/zinc/86/54/22/821865422.db2.gz RREQPEGCWVLRKA-GFCCVEGCSA-N 1 2 275.356 0.386 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085635497 821865430 /nfs/dbraw/zinc/86/54/30/821865430.db2.gz RREQPEGCWVLRKA-GFCCVEGCSA-N 1 2 275.356 0.386 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2ccnn21 ZINC001085635061 821865776 /nfs/dbraw/zinc/86/57/76/821865776.db2.gz IDDINOZILSUVCN-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc2ccnn21 ZINC001085635061 821865783 /nfs/dbraw/zinc/86/57/83/821865783.db2.gz IDDINOZILSUVCN-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCC2 ZINC001085647477 821876340 /nfs/dbraw/zinc/87/63/40/821876340.db2.gz LZWQQVBCWIVFSJ-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCC2 ZINC001085647477 821876348 /nfs/dbraw/zinc/87/63/48/821876348.db2.gz LZWQQVBCWIVFSJ-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001085680160 821892833 /nfs/dbraw/zinc/89/28/33/821892833.db2.gz ACRHYBXMAFXTNF-ZFWWWQNUSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001085680160 821892850 /nfs/dbraw/zinc/89/28/50/821892850.db2.gz ACRHYBXMAFXTNF-ZFWWWQNUSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698278 821913040 /nfs/dbraw/zinc/91/30/40/821913040.db2.gz IMFYXRWXPYRWAC-NSHDSACASA-N 1 2 283.335 0.689 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698278 821913044 /nfs/dbraw/zinc/91/30/44/821913044.db2.gz IMFYXRWXPYRWAC-NSHDSACASA-N 1 2 283.335 0.689 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713833 821914929 /nfs/dbraw/zinc/91/49/29/821914929.db2.gz URJOLJFNXSYGJM-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cn1 ZINC001085713833 821914932 /nfs/dbraw/zinc/91/49/32/821914932.db2.gz URJOLJFNXSYGJM-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085744186 821930719 /nfs/dbraw/zinc/93/07/19/821930719.db2.gz FASKOQKKRDLEGM-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085744186 821930723 /nfs/dbraw/zinc/93/07/23/821930723.db2.gz FASKOQKKRDLEGM-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(N)=O)cc1 ZINC001085756796 821937682 /nfs/dbraw/zinc/93/76/82/821937682.db2.gz QJXUQCIGXVCUTK-DOMZBBRYSA-N 1 2 299.374 0.688 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(N)=O)cc1 ZINC001085756796 821937690 /nfs/dbraw/zinc/93/76/90/821937690.db2.gz QJXUQCIGXVCUTK-DOMZBBRYSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)nn1C ZINC001085892870 822003903 /nfs/dbraw/zinc/00/39/03/822003903.db2.gz LGOASKIGMBDPFA-CYBMUJFWSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)nn1C ZINC001085892870 822003911 /nfs/dbraw/zinc/00/39/11/822003911.db2.gz LGOASKIGMBDPFA-CYBMUJFWSA-N 1 2 274.368 0.762 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906171 822008518 /nfs/dbraw/zinc/00/85/18/822008518.db2.gz BGXZIGVAVHZYTA-CYBMUJFWSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906171 822008529 /nfs/dbraw/zinc/00/85/29/822008529.db2.gz BGXZIGVAVHZYTA-CYBMUJFWSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1COC ZINC001085921414 822014787 /nfs/dbraw/zinc/01/47/87/822014787.db2.gz BTDYLGJBOYMTIV-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1conc1COC ZINC001085921414 822014797 /nfs/dbraw/zinc/01/47/97/822014797.db2.gz BTDYLGJBOYMTIV-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085923218 822017146 /nfs/dbraw/zinc/01/71/46/822017146.db2.gz TZSOKTQHHFSXIU-LBPRGKRZSA-N 1 2 286.379 0.688 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085923218 822017152 /nfs/dbraw/zinc/01/71/52/822017152.db2.gz TZSOKTQHHFSXIU-LBPRGKRZSA-N 1 2 286.379 0.688 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ccc(C)nc12 ZINC001085930637 822023434 /nfs/dbraw/zinc/02/34/34/822023434.db2.gz CAXAMBUJXJNSHW-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ccc(C)nc12 ZINC001085930637 822023442 /nfs/dbraw/zinc/02/34/42/822023442.db2.gz CAXAMBUJXJNSHW-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001085971448 822042858 /nfs/dbraw/zinc/04/28/58/822042858.db2.gz BYJPNVCXKXATMX-GFCCVEGCSA-N 1 2 260.341 0.590 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001085971448 822042866 /nfs/dbraw/zinc/04/28/66/822042866.db2.gz BYJPNVCXKXATMX-GFCCVEGCSA-N 1 2 260.341 0.590 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086407135 822241301 /nfs/dbraw/zinc/24/13/01/822241301.db2.gz UUBUBNZLOXYGRB-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086407298 822242639 /nfs/dbraw/zinc/24/26/39/822242639.db2.gz YGYHTVQMXHUYOI-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccncn2)C1 ZINC001108290214 822318018 /nfs/dbraw/zinc/31/80/18/822318018.db2.gz YPTXALSZQADNKI-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccncn2)C1 ZINC001108290214 822318025 /nfs/dbraw/zinc/31/80/25/822318025.db2.gz YPTXALSZQADNKI-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)co1 ZINC001114066898 837420581 /nfs/dbraw/zinc/42/05/81/837420581.db2.gz JSUPSAQKRTYEEJ-HWNAMQAFSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)co1 ZINC001114066898 837420584 /nfs/dbraw/zinc/42/05/84/837420584.db2.gz JSUPSAQKRTYEEJ-HWNAMQAFSA-N 1 2 274.324 0.689 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001108456200 836201649 /nfs/dbraw/zinc/20/16/49/836201649.db2.gz SNTCYFGPEJPENV-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 ZINC001108468954 836264650 /nfs/dbraw/zinc/26/46/50/836264650.db2.gz UPVSMAZBGHNJHI-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO CCOC(=O)Cc1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156319725 836280490 /nfs/dbraw/zinc/28/04/90/836280490.db2.gz BZQFDCCCOKULGY-LBPRGKRZSA-N 1 2 274.324 0.489 20 30 CCEDLO COc1nc(NC[C@@H]2COCC[N@@H+]2C)ccc1C#N ZINC001169652366 836406656 /nfs/dbraw/zinc/40/66/56/836406656.db2.gz ZFLLKTOKUBDYFQ-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1nc(NC[C@@H]2COCC[N@H+]2C)ccc1C#N ZINC001169652366 836406665 /nfs/dbraw/zinc/40/66/65/836406665.db2.gz ZFLLKTOKUBDYFQ-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC3(C)CC3)CC2=O)C1 ZINC001108555347 836442916 /nfs/dbraw/zinc/44/29/16/836442916.db2.gz LYOZHDFDYRSHCJ-LBPRGKRZSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C(=O)OCC)CC1 ZINC001184186384 844168912 /nfs/dbraw/zinc/16/89/12/844168912.db2.gz IAZLYCIVTMXDTL-NSHDSACASA-N 1 2 254.330 0.516 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001108887538 836568842 /nfs/dbraw/zinc/56/88/42/836568842.db2.gz JSQVZWHIEMXMDO-XEZLXBQYSA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)C2 ZINC001108887538 836568853 /nfs/dbraw/zinc/56/88/53/836568853.db2.gz JSQVZWHIEMXMDO-XEZLXBQYSA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109335446 836657776 /nfs/dbraw/zinc/65/77/76/836657776.db2.gz SQKVKEDOHIOGLQ-VWYCJHECSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109335446 836657778 /nfs/dbraw/zinc/65/77/78/836657778.db2.gz SQKVKEDOHIOGLQ-VWYCJHECSA-N 1 2 299.802 0.972 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCC3(CNC(=O)N3)CC2)c1 ZINC001157249164 836895361 /nfs/dbraw/zinc/89/53/61/836895361.db2.gz KDZWOLRTEBOTLV-UHFFFAOYSA-N 1 2 271.324 0.799 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001112754235 836896256 /nfs/dbraw/zinc/89/62/56/836896256.db2.gz UFXOICYGSPLMGN-UHFFFAOYSA-N 1 2 288.351 0.847 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001112770645 836901171 /nfs/dbraw/zinc/90/11/71/836901171.db2.gz TUACLPQYWHDHNG-CYBMUJFWSA-N 1 2 293.371 0.186 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001112808586 836921742 /nfs/dbraw/zinc/92/17/42/836921742.db2.gz HXNRKYVEHHLPPE-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOCC(F)F)CC1 ZINC001112861440 836947639 /nfs/dbraw/zinc/94/76/39/836947639.db2.gz BNTUNPUZLUHXEZ-UHFFFAOYSA-N 1 2 274.311 0.826 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ccncc1C#N ZINC001113154499 837039092 /nfs/dbraw/zinc/03/90/92/837039092.db2.gz FGQYVPVDCCVRLS-GHMZBOCLSA-N 1 2 298.350 0.646 20 30 CCEDLO C[C@@H](Nc1nccnc1C#N)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113155369 837040623 /nfs/dbraw/zinc/04/06/23/837040623.db2.gz OGXKXAVGXFJZCL-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC001113176954 837046514 /nfs/dbraw/zinc/04/65/14/837046514.db2.gz BNMIQNCEPRZKLE-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccncc1C#N ZINC001113315169 837086521 /nfs/dbraw/zinc/08/65/21/837086521.db2.gz YGLLKMCWOVPWJB-WDEREUQCSA-N 1 2 298.350 0.646 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCOCCOCC)CC1 ZINC001113538389 837151945 /nfs/dbraw/zinc/15/19/45/837151945.db2.gz LWMCNTTWJFMOMU-UHFFFAOYSA-N 1 2 296.411 0.987 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC001113575690 837165950 /nfs/dbraw/zinc/16/59/50/837165950.db2.gz GFSWFKAQNWAYSW-UHFFFAOYSA-N 1 2 287.363 0.747 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001113651335 837186494 /nfs/dbraw/zinc/18/64/94/837186494.db2.gz YFXBNMBXLGRHEB-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001113676066 837192744 /nfs/dbraw/zinc/19/27/44/837192744.db2.gz FBJDIXPXQLAPGL-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC001113712852 837204679 /nfs/dbraw/zinc/20/46/79/837204679.db2.gz GYGRRPLQFHKXTF-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCCC[NH+]1CC2(C1)COCC(=O)N2[C@@H](C)C(C)=O ZINC001273486742 844253546 /nfs/dbraw/zinc/25/35/46/844253546.db2.gz MPHLKHBULKGNCA-LBPRGKRZSA-N 1 2 280.368 0.843 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)COC)CC1 ZINC001131345162 838059782 /nfs/dbraw/zinc/05/97/82/838059782.db2.gz NYUSNNRTNPCAOB-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)COC)CC1 ZINC001131345162 838059796 /nfs/dbraw/zinc/05/97/96/838059796.db2.gz NYUSNNRTNPCAOB-ZDUSSCGKSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131780212 838222743 /nfs/dbraw/zinc/22/27/43/838222743.db2.gz NSVYYMDSUGXSES-RYUDHWBXSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131780212 838222756 /nfs/dbraw/zinc/22/27/56/838222756.db2.gz NSVYYMDSUGXSES-RYUDHWBXSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131808764 838230519 /nfs/dbraw/zinc/23/05/19/838230519.db2.gz NWJWEFWDESCHOH-NEPJUHHUSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131808764 838230527 /nfs/dbraw/zinc/23/05/27/838230527.db2.gz NWJWEFWDESCHOH-NEPJUHHUSA-N 1 2 297.424 0.068 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131971596 838276912 /nfs/dbraw/zinc/27/69/12/838276912.db2.gz KHFUMDZVIFFQQH-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131971596 838276918 /nfs/dbraw/zinc/27/69/18/838276918.db2.gz KHFUMDZVIFFQQH-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132016314 838300737 /nfs/dbraw/zinc/30/07/37/838300737.db2.gz GGUXFBQJOXKWSY-OLZOCXBDSA-N 1 2 279.384 0.361 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132016314 838300741 /nfs/dbraw/zinc/30/07/41/838300741.db2.gz GGUXFBQJOXKWSY-OLZOCXBDSA-N 1 2 279.384 0.361 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(N)=O ZINC001132033874 838301673 /nfs/dbraw/zinc/30/16/73/838301673.db2.gz MJNVXZURKNRIKL-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(N)=O ZINC001132033874 838301680 /nfs/dbraw/zinc/30/16/80/838301680.db2.gz MJNVXZURKNRIKL-NEPJUHHUSA-N 1 2 279.384 0.490 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(C)CC2)CC[C@H]1C ZINC001132053718 838308749 /nfs/dbraw/zinc/30/87/49/838308749.db2.gz DIHZMMUVDYBPNR-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)CC[C@H]1C ZINC001132053718 838308755 /nfs/dbraw/zinc/30/87/55/838308755.db2.gz DIHZMMUVDYBPNR-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CN1CC#N ZINC001132458893 838410202 /nfs/dbraw/zinc/41/02/02/838410202.db2.gz YTUYSDMGYZASCZ-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO N#Cc1cccc(C[NH2+]CCNC(=O)c2[nH]ncc2F)c1 ZINC001133478867 838647088 /nfs/dbraw/zinc/64/70/88/838647088.db2.gz MRYAAMRTMWVABJ-UHFFFAOYSA-N 1 2 287.298 0.940 20 30 CCEDLO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)c2nc[nH]n2)c1 ZINC001135520876 839271512 /nfs/dbraw/zinc/27/15/12/839271512.db2.gz QDDJZFOQKGTION-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO C=CCc1cc(C)c[nH+]c1NCC(=O)NCC(=O)OC ZINC001170946334 839593261 /nfs/dbraw/zinc/59/32/61/839593261.db2.gz XPJRECIFANCYQH-UHFFFAOYSA-N 1 2 277.324 0.820 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC001160173420 839698050 /nfs/dbraw/zinc/69/80/50/839698050.db2.gz HPHPCBMGYFSNOW-XVKPBYJWSA-N 1 2 251.290 0.191 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC001160173420 839698058 /nfs/dbraw/zinc/69/80/58/839698058.db2.gz HPHPCBMGYFSNOW-XVKPBYJWSA-N 1 2 251.290 0.191 20 30 CCEDLO C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847502 839850901 /nfs/dbraw/zinc/85/09/01/839850901.db2.gz WXXLPCXCGBFPFJ-NEPJUHHUSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090850793 839853207 /nfs/dbraw/zinc/85/32/07/839853207.db2.gz WEDQLSFPGFUHHE-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090850793 839853210 /nfs/dbraw/zinc/85/32/10/839853210.db2.gz WEDQLSFPGFUHHE-GHMZBOCLSA-N 1 2 298.774 0.636 20 30 CCEDLO N#Cc1cccc2[nH]nc(NC(=O)C[N@H+]3CC[C@@H](O)C3)c21 ZINC001186034751 844487610 /nfs/dbraw/zinc/48/76/10/844487610.db2.gz CTRBPRJGWARTGZ-SNVBAGLBSA-N 1 2 285.307 0.440 20 30 CCEDLO N#Cc1cccc2[nH]nc(NC(=O)C[N@@H+]3CC[C@@H](O)C3)c21 ZINC001186034751 844487613 /nfs/dbraw/zinc/48/76/13/844487613.db2.gz CTRBPRJGWARTGZ-SNVBAGLBSA-N 1 2 285.307 0.440 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(O)cc2)CC1 ZINC001144602793 840096301 /nfs/dbraw/zinc/09/63/01/840096301.db2.gz UGGQFQXRZIXAMG-AWEZNQCLSA-N 1 2 276.336 0.756 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001171365604 840962880 /nfs/dbraw/zinc/96/28/80/840962880.db2.gz GBVBMWUEYQGYRB-KGFZYKRKSA-N 1 2 262.269 0.224 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC1)c1nccn12 ZINC001092338731 841012146 /nfs/dbraw/zinc/01/21/46/841012146.db2.gz OPKMVZTVDUBESA-ZDUSSCGKSA-N 1 2 284.363 0.888 20 30 CCEDLO C#CCCCC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093582833 841351025 /nfs/dbraw/zinc/35/10/25/841351025.db2.gz NKJORPDKWHEBOH-UHFFFAOYSA-N 1 2 290.371 0.578 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CC3)nn2)C1 ZINC001094266094 841575673 /nfs/dbraw/zinc/57/56/73/841575673.db2.gz ITHOTEHAEAOFAX-UHFFFAOYSA-N 1 2 273.340 0.184 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC3CC3)CC2=O)C1 ZINC001094692299 841705441 /nfs/dbraw/zinc/70/54/41/841705441.db2.gz BDLFINNDVRAXDY-ZDUSSCGKSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CCC3)CC2=O)C1 ZINC001094691520 841705492 /nfs/dbraw/zinc/70/54/92/841705492.db2.gz HKYCWBFOCVATPT-LBPRGKRZSA-N 1 2 277.368 0.374 20 30 CCEDLO Cc1cc(NCCCNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001094808194 841728135 /nfs/dbraw/zinc/72/81/35/841728135.db2.gz HJAUXBBHLCSTRD-UHFFFAOYSA-N 1 2 298.350 0.568 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001172614041 841946710 /nfs/dbraw/zinc/94/67/10/841946710.db2.gz YYLWQGBVVKSFJV-WOPDTQHZSA-N 1 2 251.330 0.516 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172730696 841956607 /nfs/dbraw/zinc/95/66/07/841956607.db2.gz CRPBLCBQFKURAR-JTQLQIEISA-N 1 2 290.385 0.668 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)SC)C1 ZINC001206183192 841985855 /nfs/dbraw/zinc/98/58/55/841985855.db2.gz HXZQJUQGYRAETL-GRYCIOLGSA-N 1 2 299.440 0.477 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)SC)C1 ZINC001206183192 841985864 /nfs/dbraw/zinc/98/58/64/841985864.db2.gz HXZQJUQGYRAETL-GRYCIOLGSA-N 1 2 299.440 0.477 20 30 CCEDLO COC(=O)CCCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001173451718 842086785 /nfs/dbraw/zinc/08/67/85/842086785.db2.gz RDSSCEHJCRLXJW-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001176876514 842436298 /nfs/dbraw/zinc/43/62/98/842436298.db2.gz OJKCIDGIRRETQX-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001176876514 842436302 /nfs/dbraw/zinc/43/63/02/842436302.db2.gz OJKCIDGIRRETQX-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@H]2CCCC[N@H+]2C)c(C#C)n1 ZINC001178691918 842900391 /nfs/dbraw/zinc/90/03/91/842900391.db2.gz SRGSIPXOQSGFNT-CYBMUJFWSA-N 1 2 268.320 0.862 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2C)c(C#C)n1 ZINC001178691918 842900396 /nfs/dbraw/zinc/90/03/96/842900396.db2.gz SRGSIPXOQSGFNT-CYBMUJFWSA-N 1 2 268.320 0.862 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001179890407 843066026 /nfs/dbraw/zinc/06/60/26/843066026.db2.gz YPDVNIPWDNJRLK-SNVBAGLBSA-N 1 2 285.307 0.964 20 30 CCEDLO C#CCOCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110235680 843138681 /nfs/dbraw/zinc/13/86/81/843138681.db2.gz YRVGWUQJHGMUJK-UHFFFAOYSA-N 1 2 288.351 0.886 20 30 CCEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760469 843286056 /nfs/dbraw/zinc/28/60/56/843286056.db2.gz FZPFEMASLMPJBB-ZDUSSCGKSA-N 1 2 293.298 0.975 20 30 CCEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760469 843286066 /nfs/dbraw/zinc/28/60/66/843286066.db2.gz FZPFEMASLMPJBB-ZDUSSCGKSA-N 1 2 293.298 0.975 20 30 CCEDLO C[NH+]1CC(NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C1 ZINC001180783636 843302174 /nfs/dbraw/zinc/30/21/74/843302174.db2.gz VYVGLUMQMHCAIY-JTQLQIEISA-N 1 2 282.344 0.224 20 30 CCEDLO Cn1cc(NC(=O)Cc2cc[nH+]c(N)c2)c(C#N)n1 ZINC001181240222 843425816 /nfs/dbraw/zinc/42/58/16/843425816.db2.gz LPLNDTQXBKUBGS-UHFFFAOYSA-N 1 2 256.269 0.450 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2C#N)C1 ZINC001181802877 843619906 /nfs/dbraw/zinc/61/99/06/843619906.db2.gz YEBZJDHHCSPBLA-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2C#N)C1 ZINC001181802877 843619909 /nfs/dbraw/zinc/61/99/09/843619909.db2.gz YEBZJDHHCSPBLA-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182458140 843834672 /nfs/dbraw/zinc/83/46/72/843834672.db2.gz CTXTUKNBSICULP-LLVKDONJSA-N 1 2 276.340 0.810 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(C)C)C1 ZINC001190936788 845541592 /nfs/dbraw/zinc/54/15/92/845541592.db2.gz GQSUMTWSJIUOBA-ZIAGYGMSSA-N 1 2 282.384 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC(C)C)C1 ZINC001190936788 845541598 /nfs/dbraw/zinc/54/15/98/845541598.db2.gz GQSUMTWSJIUOBA-ZIAGYGMSSA-N 1 2 282.384 0.234 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC(C)C)C1 ZINC001191455839 845663893 /nfs/dbraw/zinc/66/38/93/845663893.db2.gz BQRUAVHPRHEFSH-BFHYXJOUSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC(C)C)C1 ZINC001191455839 845663900 /nfs/dbraw/zinc/66/39/00/845663900.db2.gz BQRUAVHPRHEFSH-BFHYXJOUSA-N 1 2 282.384 0.232 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001191855350 845741095 /nfs/dbraw/zinc/74/10/95/845741095.db2.gz ZFWMAICUQJYCDF-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001191855350 845741103 /nfs/dbraw/zinc/74/11/03/845741103.db2.gz ZFWMAICUQJYCDF-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001192509860 845859920 /nfs/dbraw/zinc/85/99/20/845859920.db2.gz DJIAXIMQFWALKD-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001192509860 845859927 /nfs/dbraw/zinc/85/99/27/845859927.db2.gz DJIAXIMQFWALKD-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821766 845916119 /nfs/dbraw/zinc/91/61/19/845916119.db2.gz PZBGHAJCAINECN-JHJVBQTASA-N 1 2 268.332 0.309 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821766 845916124 /nfs/dbraw/zinc/91/61/24/845916124.db2.gz PZBGHAJCAINECN-JHJVBQTASA-N 1 2 268.332 0.309 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192870670 845918284 /nfs/dbraw/zinc/91/82/84/845918284.db2.gz GIFIQXLLDJOWEQ-JHJVBQTASA-N 1 2 284.375 0.945 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192870670 845918294 /nfs/dbraw/zinc/91/82/94/845918294.db2.gz GIFIQXLLDJOWEQ-JHJVBQTASA-N 1 2 284.375 0.945 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)ccc1O ZINC001193506839 846101318 /nfs/dbraw/zinc/10/13/18/846101318.db2.gz ZLTVYJJQWORSJM-GFCCVEGCSA-N 1 2 257.293 0.794 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)ccc1O ZINC001193506839 846101323 /nfs/dbraw/zinc/10/13/23/846101323.db2.gz ZLTVYJJQWORSJM-GFCCVEGCSA-N 1 2 257.293 0.794 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCSC)CC1 ZINC001194768781 846393439 /nfs/dbraw/zinc/39/34/39/846393439.db2.gz FCIIWFNTPBMAMC-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCSC)CC1 ZINC001194768781 846393451 /nfs/dbraw/zinc/39/34/51/846393451.db2.gz FCIIWFNTPBMAMC-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)OC)CO2 ZINC001273685733 846396445 /nfs/dbraw/zinc/39/64/45/846396445.db2.gz LUSBIRXZTSPIRZ-RYUDHWBXSA-N 1 2 268.357 0.557 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194819271 846400129 /nfs/dbraw/zinc/40/01/29/846400129.db2.gz FCAJODRUVVKHSJ-UHFFFAOYSA-N 1 2 250.342 0.913 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194819271 846400135 /nfs/dbraw/zinc/40/01/35/846400135.db2.gz FCAJODRUVVKHSJ-UHFFFAOYSA-N 1 2 250.342 0.913 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194898176 846413188 /nfs/dbraw/zinc/41/31/88/846413188.db2.gz RQEQMABEMHZFJD-KGLIPLIRSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194898176 846413193 /nfs/dbraw/zinc/41/31/93/846413193.db2.gz RQEQMABEMHZFJD-KGLIPLIRSA-N 1 2 293.411 0.705 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ncoc2C)CC1 ZINC001195062721 846450101 /nfs/dbraw/zinc/45/01/01/846450101.db2.gz CWVCQPPWPIXGHD-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ncoc2C)CC1 ZINC001195062721 846450108 /nfs/dbraw/zinc/45/01/08/846450108.db2.gz CWVCQPPWPIXGHD-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC001195321748 846492739 /nfs/dbraw/zinc/49/27/39/846492739.db2.gz NZXNCRUGZLOTLX-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC001195321748 846492741 /nfs/dbraw/zinc/49/27/41/846492741.db2.gz NZXNCRUGZLOTLX-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](OC)C1CC1)CO2 ZINC001273695712 846496387 /nfs/dbraw/zinc/49/63/87/846496387.db2.gz HLVMOQOSGAJFJQ-KBPBESRZSA-N 1 2 294.395 0.947 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195780266 846621903 /nfs/dbraw/zinc/62/19/03/846621903.db2.gz APIFWLZBJGZNEM-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195780266 846621906 /nfs/dbraw/zinc/62/19/06/846621906.db2.gz APIFWLZBJGZNEM-ZDUSSCGKSA-N 1 2 279.384 0.315 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195923850 846648835 /nfs/dbraw/zinc/64/88/35/846648835.db2.gz NOBGCKKSBSKCBT-IIAWOOMASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195923850 846648828 /nfs/dbraw/zinc/64/88/28/846648828.db2.gz NOBGCKKSBSKCBT-IIAWOOMASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196879960 846808850 /nfs/dbraw/zinc/80/88/50/846808850.db2.gz GLHKTVKPGVUZAP-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196879960 846808855 /nfs/dbraw/zinc/80/88/55/846808855.db2.gz GLHKTVKPGVUZAP-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCC(N)=O)CC1 ZINC001198378473 847099382 /nfs/dbraw/zinc/09/93/82/847099382.db2.gz IHAILUCTXZIKFY-UHFFFAOYSA-N 1 2 287.791 0.929 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCC(N)=O)CC1 ZINC001198378473 847099386 /nfs/dbraw/zinc/09/93/86/847099386.db2.gz IHAILUCTXZIKFY-UHFFFAOYSA-N 1 2 287.791 0.929 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001251833034 847188504 /nfs/dbraw/zinc/18/85/04/847188504.db2.gz XVOSINDLKKETRM-AXFHLTTASA-N 1 2 299.264 0.334 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001251833034 847188507 /nfs/dbraw/zinc/18/85/07/847188507.db2.gz XVOSINDLKKETRM-AXFHLTTASA-N 1 2 299.264 0.334 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001198975670 847201672 /nfs/dbraw/zinc/20/16/72/847201672.db2.gz OYEPOSVFRKMISV-RRFJBIMHSA-N 1 2 290.338 0.362 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001198975670 847201686 /nfs/dbraw/zinc/20/16/86/847201686.db2.gz OYEPOSVFRKMISV-RRFJBIMHSA-N 1 2 290.338 0.362 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+]2CCS(C)(=O)=O)C1=O ZINC001273811676 847546005 /nfs/dbraw/zinc/54/60/05/847546005.db2.gz OKVGKDFAICDYSN-CYBMUJFWSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+]2CCS(C)(=O)=O)C1=O ZINC001273811676 847546008 /nfs/dbraw/zinc/54/60/08/847546008.db2.gz OKVGKDFAICDYSN-CYBMUJFWSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931799 847862008 /nfs/dbraw/zinc/86/20/08/847862008.db2.gz UTVYUZAHDPTAKK-NSHDSACASA-N 1 2 266.341 0.564 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001252483253 847982885 /nfs/dbraw/zinc/98/28/85/847982885.db2.gz RXORKIZEKONBQB-CHWSQXEVSA-N 1 2 287.356 0.108 20 30 CCEDLO CC[C@H](NC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2)C(N)=O ZINC001274031527 848311367 /nfs/dbraw/zinc/31/13/67/848311367.db2.gz UADZCZZCIVMVGN-NEPJUHHUSA-N 1 2 292.383 0.382 20 30 CCEDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(C#N)co1 ZINC001274350138 848455996 /nfs/dbraw/zinc/45/59/96/848455996.db2.gz OATRFQAISLJROM-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(C#N)co1 ZINC001274350138 848456001 /nfs/dbraw/zinc/45/60/01/848456001.db2.gz OATRFQAISLJROM-PHIMTYICSA-N 1 2 261.281 0.306 20 30 CCEDLO N#CCNC/C=C/CNC(=O)CCCn1cc[nH+]c1 ZINC001274631967 848526159 /nfs/dbraw/zinc/52/61/59/848526159.db2.gz NRXPBRDPUATEDF-OWOJBTEDSA-N 1 2 261.329 0.449 20 30 CCEDLO N#CCCCN1CC2(CN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739974 848556678 /nfs/dbraw/zinc/55/66/78/848556678.db2.gz PQTCZUMAPYDCKA-UHFFFAOYSA-N 1 2 286.335 0.803 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001095564099 848990963 /nfs/dbraw/zinc/99/09/63/848990963.db2.gz UOCAXPNWFZPQNZ-SSKLVLDBSA-N 1 2 285.351 0.758 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001095564099 848990970 /nfs/dbraw/zinc/99/09/70/848990970.db2.gz UOCAXPNWFZPQNZ-SSKLVLDBSA-N 1 2 285.351 0.758 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](Cc2ncccc2O)CC1 ZINC001138393981 849103769 /nfs/dbraw/zinc/10/37/69/849103769.db2.gz BILYYIKWZBAJEV-UHFFFAOYSA-N 1 2 296.334 0.771 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001038330828 849853760 /nfs/dbraw/zinc/85/37/60/849853760.db2.gz ZVIBZMVWAPFEMV-GFCCVEGCSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001038330828 849853768 /nfs/dbraw/zinc/85/37/68/849853768.db2.gz ZVIBZMVWAPFEMV-GFCCVEGCSA-N 1 2 286.335 0.477 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038449457 849903281 /nfs/dbraw/zinc/90/32/81/849903281.db2.gz FKBPGWLNJIEOPL-LLVKDONJSA-N 1 2 298.346 0.404 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038449457 849903291 /nfs/dbraw/zinc/90/32/91/849903291.db2.gz FKBPGWLNJIEOPL-LLVKDONJSA-N 1 2 298.346 0.404 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)n1 ZINC001038501886 849923461 /nfs/dbraw/zinc/92/34/61/849923461.db2.gz KALBYCZSQANLNP-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)n1 ZINC001038501886 849923466 /nfs/dbraw/zinc/92/34/66/849923466.db2.gz KALBYCZSQANLNP-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001038510635 849927927 /nfs/dbraw/zinc/92/79/27/849927927.db2.gz OPJQMJDXOGCMOI-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001038510635 849927932 /nfs/dbraw/zinc/92/79/32/849927932.db2.gz OPJQMJDXOGCMOI-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038518274 849928644 /nfs/dbraw/zinc/92/86/44/849928644.db2.gz YXEFTUMCCCPLJE-LBPRGKRZSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038518274 849928655 /nfs/dbraw/zinc/92/86/55/849928655.db2.gz YXEFTUMCCCPLJE-LBPRGKRZSA-N 1 2 295.346 0.852 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038515833 849930478 /nfs/dbraw/zinc/93/04/78/849930478.db2.gz GGPFTWLRQFKXBE-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038515833 849930483 /nfs/dbraw/zinc/93/04/83/849930483.db2.gz GGPFTWLRQFKXBE-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038543074 849938644 /nfs/dbraw/zinc/93/86/44/849938644.db2.gz QULYGWYCTHMLBC-IIEFLBBWSA-N 1 2 260.337 0.234 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038543074 849938655 /nfs/dbraw/zinc/93/86/55/849938655.db2.gz QULYGWYCTHMLBC-IIEFLBBWSA-N 1 2 260.337 0.234 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001038567511 849945134 /nfs/dbraw/zinc/94/51/34/849945134.db2.gz NVRIGAFMRVZPIY-JSGCOSHPSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001038567511 849945145 /nfs/dbraw/zinc/94/51/45/849945145.db2.gz NVRIGAFMRVZPIY-JSGCOSHPSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001038754828 850004371 /nfs/dbraw/zinc/00/43/71/850004371.db2.gz ANIRAXRAUMYGMI-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001038754828 850004385 /nfs/dbraw/zinc/00/43/85/850004385.db2.gz ANIRAXRAUMYGMI-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038775439 850011372 /nfs/dbraw/zinc/01/13/72/850011372.db2.gz ZAAVVOIBGRIYJM-CYBMUJFWSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038775439 850011375 /nfs/dbraw/zinc/01/13/75/850011375.db2.gz ZAAVVOIBGRIYJM-CYBMUJFWSA-N 1 2 270.336 0.791 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(OC)nc1 ZINC001038877669 850062192 /nfs/dbraw/zinc/06/21/92/850062192.db2.gz HVIQFZNFFHGEDH-GFCCVEGCSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(OC)nc1 ZINC001038877669 850062199 /nfs/dbraw/zinc/06/21/99/850062199.db2.gz HVIQFZNFFHGEDH-GFCCVEGCSA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038901382 850072275 /nfs/dbraw/zinc/07/22/75/850072275.db2.gz WOGBPABVICATMB-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038901382 850072283 /nfs/dbraw/zinc/07/22/83/850072283.db2.gz WOGBPABVICATMB-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903910 850077868 /nfs/dbraw/zinc/07/78/68/850077868.db2.gz DETLKYBVFBIPMF-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903910 850077876 /nfs/dbraw/zinc/07/78/76/850077876.db2.gz DETLKYBVFBIPMF-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942978 850096595 /nfs/dbraw/zinc/09/65/95/850096595.db2.gz MTLJKIGYKLYZQB-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001038942978 850096604 /nfs/dbraw/zinc/09/66/04/850096604.db2.gz MTLJKIGYKLYZQB-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039012049 850119954 /nfs/dbraw/zinc/11/99/54/850119954.db2.gz JOKKILBOSWPHHL-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039012049 850119958 /nfs/dbraw/zinc/11/99/58/850119958.db2.gz JOKKILBOSWPHHL-LBPRGKRZSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001039097976 850154596 /nfs/dbraw/zinc/15/45/96/850154596.db2.gz RITRUGSDUCRCGE-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001039097976 850154597 /nfs/dbraw/zinc/15/45/97/850154597.db2.gz RITRUGSDUCRCGE-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001039102661 850156067 /nfs/dbraw/zinc/15/60/67/850156067.db2.gz HRUZUSXQNGYDRT-GFCCVEGCSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001039102661 850156071 /nfs/dbraw/zinc/15/60/71/850156071.db2.gz HRUZUSXQNGYDRT-GFCCVEGCSA-N 1 2 298.346 0.716 20 30 CCEDLO N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001039306192 850169202 /nfs/dbraw/zinc/16/92/02/850169202.db2.gz GVPKLLPLWMAGFU-YHWZYXNKSA-N 1 2 287.367 0.977 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001039438616 850192025 /nfs/dbraw/zinc/19/20/25/850192025.db2.gz DZHYPCZARJSMCK-KGLIPLIRSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001039438616 850192030 /nfs/dbraw/zinc/19/20/30/850192030.db2.gz DZHYPCZARJSMCK-KGLIPLIRSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnsn2)C1 ZINC001042509400 850673842 /nfs/dbraw/zinc/67/38/42/850673842.db2.gz JOBSWVMCNBPGGK-UHFFFAOYSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001042517627 850677382 /nfs/dbraw/zinc/67/73/82/850677382.db2.gz AYIMYMZFXKQCJK-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@H]2OC)C1 ZINC001042891676 850774512 /nfs/dbraw/zinc/77/45/12/850774512.db2.gz FOUDPCUHYLJNLF-GXTWGEPZSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001042891731 850774980 /nfs/dbraw/zinc/77/49/80/850774980.db2.gz GIWCFOWEEPUTSG-GFCCVEGCSA-N 1 2 286.379 0.910 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001042943812 850787096 /nfs/dbraw/zinc/78/70/96/850787096.db2.gz HIJDRFYTYUXETK-OAHLLOKOSA-N 1 2 299.374 0.842 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043124785 850818976 /nfs/dbraw/zinc/81/89/76/850818976.db2.gz VADNQIUHECDSOQ-GFCCVEGCSA-N 1 2 274.368 0.774 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001043384889 850865200 /nfs/dbraw/zinc/86/52/00/850865200.db2.gz GQZODALMZHIJDV-BJJPWKGXSA-N 1 2 262.353 0.738 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001043470515 850877666 /nfs/dbraw/zinc/87/76/66/850877666.db2.gz QPMBVWKTJAIMNJ-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)cc1 ZINC001043506338 850886961 /nfs/dbraw/zinc/88/69/61/850886961.db2.gz XJHDNKWGKBJFBB-GFCCVEGCSA-N 1 2 272.348 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001043993894 850980675 /nfs/dbraw/zinc/98/06/75/850980675.db2.gz PWJWRMPALTYINN-STQMWFEESA-N 1 2 293.411 0.997 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001044038075 850989510 /nfs/dbraw/zinc/98/95/10/850989510.db2.gz RKEVNFGJBVERRZ-STQMWFEESA-N 1 2 268.357 0.103 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ncccn3n2)C1 ZINC001044078256 851003542 /nfs/dbraw/zinc/00/35/42/851003542.db2.gz OKGKNHCEZLOCOG-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001044177500 851032872 /nfs/dbraw/zinc/03/28/72/851032872.db2.gz NXBNHBJKSIXAHJ-UHFFFAOYSA-N 1 2 286.379 0.688 20 30 CCEDLO C#CCN1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001044177795 851033070 /nfs/dbraw/zinc/03/30/70/851033070.db2.gz SLEORBBNAKMWAN-UHFFFAOYSA-N 1 2 295.346 0.657 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)nc1 ZINC001044203331 851042212 /nfs/dbraw/zinc/04/22/12/851042212.db2.gz KTUQFTWZWRZMCU-NSHDSACASA-N 1 2 273.336 0.200 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC001045996062 851342850 /nfs/dbraw/zinc/34/28/50/851342850.db2.gz BENHRVOZZUHBES-AWEZNQCLSA-N 1 2 299.378 0.437 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027134 851356019 /nfs/dbraw/zinc/35/60/19/851356019.db2.gz IKVLSSPSMGJBKZ-HNNXBMFYSA-N 1 2 286.379 0.142 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001096072885 851377937 /nfs/dbraw/zinc/37/79/37/851377937.db2.gz MACTXHOBHWTGHB-WOPDTQHZSA-N 1 2 259.313 0.197 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001047547375 851810030 /nfs/dbraw/zinc/81/00/30/851810030.db2.gz OVCKUQSWSOSOJQ-KKUMJFAQSA-N 1 2 290.338 0.834 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001047547375 851810033 /nfs/dbraw/zinc/81/00/33/851810033.db2.gz OVCKUQSWSOSOJQ-KKUMJFAQSA-N 1 2 290.338 0.834 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001096338101 851936642 /nfs/dbraw/zinc/93/66/42/851936642.db2.gz IMINAPOMHURJNP-ONGXEEELSA-N 1 2 259.313 0.640 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380716 851974656 /nfs/dbraw/zinc/97/46/56/851974656.db2.gz PZCIRLPOFGNWHZ-RHYQMDGZSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001096380716 851974663 /nfs/dbraw/zinc/97/46/63/851974663.db2.gz PZCIRLPOFGNWHZ-RHYQMDGZSA-N 1 2 297.786 0.739 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001048970859 852122852 /nfs/dbraw/zinc/12/28/52/852122852.db2.gz XHUISHIQVLAANE-BETUJISGSA-N 1 2 273.340 0.187 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446028 852276875 /nfs/dbraw/zinc/27/68/75/852276875.db2.gz GGMJRRYQQRDLKT-QWHCGFSZSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001049807689 852378989 /nfs/dbraw/zinc/37/89/89/852378989.db2.gz UHKOHBRFYAMEOS-NWDGAFQWSA-N 1 2 273.340 0.541 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844896 852383711 /nfs/dbraw/zinc/38/37/11/852383711.db2.gz VNYTYXWJSLIPMS-QWHCGFSZSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844896 852383720 /nfs/dbraw/zinc/38/37/20/852383720.db2.gz VNYTYXWJSLIPMS-QWHCGFSZSA-N 1 2 287.367 0.436 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001049988159 852415552 /nfs/dbraw/zinc/41/55/52/852415552.db2.gz GPXVIJUPVHPDBS-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001049988159 852415560 /nfs/dbraw/zinc/41/55/60/852415560.db2.gz GPXVIJUPVHPDBS-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097026038 852491103 /nfs/dbraw/zinc/49/11/03/852491103.db2.gz CLANWQSJSYEHHR-ZNSHCXBVSA-N 1 2 299.758 0.569 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097026038 852491106 /nfs/dbraw/zinc/49/11/06/852491106.db2.gz CLANWQSJSYEHHR-ZNSHCXBVSA-N 1 2 299.758 0.569 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCO[C@@H]1C)CCO2 ZINC001053486698 852748371 /nfs/dbraw/zinc/74/83/71/852748371.db2.gz ZRDOUXSWNZZKMR-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cocn1)O2 ZINC001053576638 852763192 /nfs/dbraw/zinc/76/31/92/852763192.db2.gz UVAJDOVUFNCIAQ-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC=CC1)CO2 ZINC001053761412 852810522 /nfs/dbraw/zinc/81/05/22/852810522.db2.gz ARPKULLUJSCDJW-AWEZNQCLSA-N 1 2 274.364 0.935 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCOC1)CO2 ZINC001053762656 852812004 /nfs/dbraw/zinc/81/20/04/852812004.db2.gz DVIGYSNCMSLXHU-KBPBESRZSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1C)CO2 ZINC001053769130 852812981 /nfs/dbraw/zinc/81/29/81/852812981.db2.gz RIFMBNPCGPTECL-CYBMUJFWSA-N 1 2 287.363 0.920 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccns1)CO2 ZINC001053820965 852828607 /nfs/dbraw/zinc/82/86/07/852828607.db2.gz RLGRRFBDLLAODD-NSHDSACASA-N 1 2 291.376 0.740 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnco1)CO2 ZINC001053887416 852839732 /nfs/dbraw/zinc/83/97/32/852839732.db2.gz WPSOVTAYZBUQFN-LLVKDONJSA-N 1 2 275.308 0.271 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(F)CCOC1)CO2 ZINC001053906402 852843924 /nfs/dbraw/zinc/84/39/24/852843924.db2.gz ZBRXUXDLPVVQDE-IUODEOHRSA-N 1 2 298.358 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1OCC[C@H]1C)CO2 ZINC001053928776 852849210 /nfs/dbraw/zinc/84/92/10/852849210.db2.gz KMEINRRCYHGSFY-RDBSUJKOSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(C)c1)CO2 ZINC001053961928 852856922 /nfs/dbraw/zinc/85/69/22/852856922.db2.gz HMILSUFIPGFELF-HNNXBMFYSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCOC1)CO2 ZINC001053968030 852860206 /nfs/dbraw/zinc/86/02/06/852860206.db2.gz ISWDYRFNQOTIKB-DZGCQCFKSA-N 1 2 292.379 0.396 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001097922057 852863074 /nfs/dbraw/zinc/86/30/74/852863074.db2.gz PFECQOSRDPOZJF-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001097922765 852864786 /nfs/dbraw/zinc/86/47/86/852864786.db2.gz ZAUVYNCXESSHHI-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001054976547 853047089 /nfs/dbraw/zinc/04/70/89/853047089.db2.gz NEZGFOOIPBRFAA-QWRGUYRKSA-N 1 2 292.387 0.359 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001050973629 853498159 /nfs/dbraw/zinc/49/81/59/853498159.db2.gz XJBJBOIZYVRMKQ-LLVKDONJSA-N 1 2 294.355 0.430 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001050973629 853498165 /nfs/dbraw/zinc/49/81/65/853498165.db2.gz XJBJBOIZYVRMKQ-LLVKDONJSA-N 1 2 294.355 0.430 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnn1 ZINC001051183552 853541236 /nfs/dbraw/zinc/54/12/36/853541236.db2.gz OEABQHBNWALILS-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnn1 ZINC001051183552 853541247 /nfs/dbraw/zinc/54/12/47/853541247.db2.gz OEABQHBNWALILS-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001051184902 853542795 /nfs/dbraw/zinc/54/27/95/853542795.db2.gz LCDYHKVOPCJEOF-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001051184902 853542798 /nfs/dbraw/zinc/54/27/98/853542798.db2.gz LCDYHKVOPCJEOF-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001051213207 853547391 /nfs/dbraw/zinc/54/73/91/853547391.db2.gz VYSIHMQTLKGRGD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001051213207 853547401 /nfs/dbraw/zinc/54/74/01/853547401.db2.gz VYSIHMQTLKGRGD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001051494203 853597208 /nfs/dbraw/zinc/59/72/08/853597208.db2.gz FQPYDPNSFJIGAM-MWLCHTKSSA-N 1 2 295.368 0.015 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051967265 853665605 /nfs/dbraw/zinc/66/56/05/853665605.db2.gz RRVPULPEPNBWTQ-CQSZACIVSA-N 1 2 261.369 0.248 20 30 CCEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070438970 854059917 /nfs/dbraw/zinc/05/99/17/854059917.db2.gz LLKHPFSNESJYHY-ZDUSSCGKSA-N 1 2 299.378 0.384 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C(C)=C\C)CC1 ZINC001070954238 854109033 /nfs/dbraw/zinc/10/90/33/854109033.db2.gz TUBNBXJYEUQLAP-ACAGNQJTSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C(C)=C\C)CC1 ZINC001070954238 854109034 /nfs/dbraw/zinc/10/90/34/854109034.db2.gz TUBNBXJYEUQLAP-ACAGNQJTSA-N 1 2 279.384 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071501092 854222256 /nfs/dbraw/zinc/22/22/56/854222256.db2.gz IFLDYIDFMFGFSN-DGCLKSJQSA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071501092 854222261 /nfs/dbraw/zinc/22/22/61/854222261.db2.gz IFLDYIDFMFGFSN-DGCLKSJQSA-N 1 2 289.383 0.648 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)CC[C@@H]1C ZINC001071537153 854231755 /nfs/dbraw/zinc/23/17/55/854231755.db2.gz UNCCAWIHSNTPJR-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)CC[C@@H]1C ZINC001071537153 854231762 /nfs/dbraw/zinc/23/17/62/854231762.db2.gz UNCCAWIHSNTPJR-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncccc2O)C1 ZINC001073582611 854604486 /nfs/dbraw/zinc/60/44/86/854604486.db2.gz OZRQDBJIHCMIIF-GFCCVEGCSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncccc2O)C1 ZINC001073582611 854604491 /nfs/dbraw/zinc/60/44/91/854604491.db2.gz OZRQDBJIHCMIIF-GFCCVEGCSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098594985 854871507 /nfs/dbraw/zinc/87/15/07/854871507.db2.gz AZVVOWWQDHDFIC-AWEZNQCLSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)CC)C2 ZINC001111460961 854892191 /nfs/dbraw/zinc/89/21/91/854892191.db2.gz DVGBGXNICPLSAR-UPJWGTAASA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)CC)C2 ZINC001111460961 854892194 /nfs/dbraw/zinc/89/21/94/854892194.db2.gz DVGBGXNICPLSAR-UPJWGTAASA-N 1 2 298.408 0.166 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001099405399 854933195 /nfs/dbraw/zinc/93/31/95/854933195.db2.gz PKZPVUYQUWCWRE-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[NH2+]Cc1cn(-c2cccc(CNC(C)=O)c2)nn1 ZINC001099600623 854939385 /nfs/dbraw/zinc/93/93/85/854939385.db2.gz VUYWABXOCPMBMO-UHFFFAOYSA-N 1 2 283.335 0.626 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001100009658 855069667 /nfs/dbraw/zinc/06/96/67/855069667.db2.gz CPRCPMPHRUAOIN-UHFFFAOYSA-N 1 2 284.323 0.851 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100040179 855079131 /nfs/dbraw/zinc/07/91/31/855079131.db2.gz FUJJXZZZJQIXQJ-CQSZACIVSA-N 1 2 278.356 0.665 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)COCC)c1nccn12 ZINC001101603922 855325227 /nfs/dbraw/zinc/32/52/27/855325227.db2.gz ISIKGLXXBKYQRY-GFCCVEGCSA-N 1 2 290.367 0.678 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)c1nccn12 ZINC001101620090 855326164 /nfs/dbraw/zinc/32/61/64/855326164.db2.gz BMXKHIIIURBQNA-QWHCGFSZSA-N 1 2 297.362 0.638 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001103118300 855498752 /nfs/dbraw/zinc/49/87/52/855498752.db2.gz VRNCGTHDAIQJFI-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1cnc(C#N)cn1 ZINC001104001790 855559638 /nfs/dbraw/zinc/55/96/38/855559638.db2.gz CJDMNTVSRJPFEU-NSHDSACASA-N 1 2 299.338 0.409 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825325 855596933 /nfs/dbraw/zinc/59/69/33/855596933.db2.gz ZOKOINQKVUNWRS-ZFWWWQNUSA-N 1 2 287.367 0.767 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115330792 855662568 /nfs/dbraw/zinc/66/25/68/855662568.db2.gz TYRCUGCIRQNNCM-IMRBUKKESA-N 1 2 292.339 0.209 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115330792 855662570 /nfs/dbraw/zinc/66/25/70/855662570.db2.gz TYRCUGCIRQNNCM-IMRBUKKESA-N 1 2 292.339 0.209 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116548329 855786238 /nfs/dbraw/zinc/78/62/38/855786238.db2.gz MEOSAZLMXBHFHT-SNVBAGLBSA-N 1 2 271.342 0.161 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC001116594645 855794227 /nfs/dbraw/zinc/79/42/27/855794227.db2.gz LOEJZFWDVQVEDE-GWCFXTLKSA-N 1 2 278.360 0.520 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC001116850059 855847449 /nfs/dbraw/zinc/84/74/49/855847449.db2.gz FHXUVIONIOPDTN-JHJVBQTASA-N 1 2 251.330 0.516 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC001116850059 855847452 /nfs/dbraw/zinc/84/74/52/855847452.db2.gz FHXUVIONIOPDTN-JHJVBQTASA-N 1 2 251.330 0.516 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001117652189 856036753 /nfs/dbraw/zinc/03/67/53/856036753.db2.gz IZJKWJWJGMPAQT-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 ZINC001117874917 856097875 /nfs/dbraw/zinc/09/78/75/856097875.db2.gz WURQDZMEPZUWIJ-UHFFFAOYSA-N 1 2 292.383 0.303 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC001118401298 856290195 /nfs/dbraw/zinc/29/01/95/856290195.db2.gz SQWSXZPARWMBDD-STQMWFEESA-N 1 2 288.351 0.260 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001119980022 856945421 /nfs/dbraw/zinc/94/54/21/856945421.db2.gz SQUZTINSRQMKMC-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCn1cnnc1S(=O)(=O)CCc1c[nH+]cn1C ZINC001119999794 856956427 /nfs/dbraw/zinc/95/64/27/856956427.db2.gz KTYIWWMHSAAQSZ-UHFFFAOYSA-N 1 2 281.341 0.214 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cocn2)C1 ZINC001393232478 912451156 /nfs/dbraw/zinc/45/11/56/912451156.db2.gz BXQMECASZUKTOM-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cocn2)C1 ZINC001393232478 912451172 /nfs/dbraw/zinc/45/11/72/912451172.db2.gz BXQMECASZUKTOM-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001492818933 912474432 /nfs/dbraw/zinc/47/44/32/912474432.db2.gz HPAWMZCJYOTELN-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](C/C=C/Cl)C1 ZINC001393426161 912565262 /nfs/dbraw/zinc/56/52/62/912565262.db2.gz HSFLBVOTOZQGOY-QIPCVNDGSA-N 1 2 285.775 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](C/C=C/Cl)C1 ZINC001393426161 912565279 /nfs/dbraw/zinc/56/52/79/912565279.db2.gz HSFLBVOTOZQGOY-QIPCVNDGSA-N 1 2 285.775 0.842 20 30 CCEDLO CCC(CC)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324576339 912916954 /nfs/dbraw/zinc/91/69/54/912916954.db2.gz XDHMKRZGIPIZHE-HNNXBMFYSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(CC)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324576339 912916964 /nfs/dbraw/zinc/91/69/64/912916964.db2.gz XDHMKRZGIPIZHE-HNNXBMFYSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C[C@@H](COC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001324913291 913092607 /nfs/dbraw/zinc/09/26/07/913092607.db2.gz WBDARQCIWRBJBW-GXTWGEPZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@@H](COC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001324913291 913092623 /nfs/dbraw/zinc/09/26/23/913092623.db2.gz WBDARQCIWRBJBW-GXTWGEPZSA-N 1 2 282.384 0.947 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc3cnccc3o2)C1 ZINC001325236009 913296664 /nfs/dbraw/zinc/29/66/64/913296664.db2.gz HUZGBJKNMRDEPW-UHFFFAOYSA-N 1 2 299.330 0.628 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001325264024 913308295 /nfs/dbraw/zinc/30/82/95/913308295.db2.gz KXCQAUQZDJLDJM-QWHCGFSZSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CC2CC2)C1 ZINC001282505436 891457169 /nfs/dbraw/zinc/45/71/69/891457169.db2.gz KIESYFDUBUBOHH-UHFFFAOYSA-N 1 2 250.342 0.363 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001395162493 913571026 /nfs/dbraw/zinc/57/10/26/913571026.db2.gz VAEZFQPMOKVXPF-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001395162493 913571035 /nfs/dbraw/zinc/57/10/35/913571035.db2.gz VAEZFQPMOKVXPF-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001481000060 892041907 /nfs/dbraw/zinc/04/19/07/892041907.db2.gz MJMYBYGHHJCYRX-ZDUSSCGKSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001481000060 892041926 /nfs/dbraw/zinc/04/19/26/892041926.db2.gz MJMYBYGHHJCYRX-ZDUSSCGKSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001481225483 892397524 /nfs/dbraw/zinc/39/75/24/892397524.db2.gz KOXHGMNOACCJRY-MFKMUULPSA-N 1 2 298.412 0.974 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#C)C1 ZINC001481524546 892772000 /nfs/dbraw/zinc/77/20/00/892772000.db2.gz CDCHLYUOWCLGHO-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#C)C1 ZINC001481524546 892772010 /nfs/dbraw/zinc/77/20/10/892772010.db2.gz CDCHLYUOWCLGHO-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001342711703 892794571 /nfs/dbraw/zinc/79/45/71/892794571.db2.gz DVPJZIRZDJQFEC-WDEREUQCSA-N 1 2 252.318 0.772 20 30 CCEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001481577035 892847715 /nfs/dbraw/zinc/84/77/15/892847715.db2.gz YMTVVHIQGSETPP-UHFFFAOYSA-N 1 2 276.384 0.975 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCCC)C1 ZINC001481687680 893007021 /nfs/dbraw/zinc/00/70/21/893007021.db2.gz SEPZGTFUBCZWIL-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCCCC)C1 ZINC001481687680 893007039 /nfs/dbraw/zinc/00/70/39/893007039.db2.gz SEPZGTFUBCZWIL-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001481691511 893012408 /nfs/dbraw/zinc/01/24/08/893012408.db2.gz XHGVWQATARKBFF-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001481691511 893012428 /nfs/dbraw/zinc/01/24/28/893012428.db2.gz XHGVWQATARKBFF-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001481710266 893070285 /nfs/dbraw/zinc/07/02/85/893070285.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 1 2 285.391 0.942 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001481710266 893070309 /nfs/dbraw/zinc/07/03/09/893070309.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 1 2 285.391 0.942 20 30 CCEDLO CC(C)=CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481714808 893074608 /nfs/dbraw/zinc/07/46/08/893074608.db2.gz WVEUVYQCOKRZKU-GFCCVEGCSA-N 1 2 278.356 0.125 20 30 CCEDLO CC(C)=CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481714808 893074628 /nfs/dbraw/zinc/07/46/28/893074628.db2.gz WVEUVYQCOKRZKU-GFCCVEGCSA-N 1 2 278.356 0.125 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001481719154 893080349 /nfs/dbraw/zinc/08/03/49/893080349.db2.gz GDAJNJKINVTATE-STQMWFEESA-N 1 2 294.399 0.451 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001481719154 893080367 /nfs/dbraw/zinc/08/03/67/893080367.db2.gz GDAJNJKINVTATE-STQMWFEESA-N 1 2 294.399 0.451 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001481808091 893171598 /nfs/dbraw/zinc/17/15/98/893171598.db2.gz LYSWTGZPVYDQDY-BXUZGUMPSA-N 1 2 296.371 0.690 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001482186429 893477460 /nfs/dbraw/zinc/47/74/60/893477460.db2.gz HOHFKQFUXDZGTA-CQSZACIVSA-N 1 2 282.384 0.643 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001482186429 893477473 /nfs/dbraw/zinc/47/74/73/893477473.db2.gz HOHFKQFUXDZGTA-CQSZACIVSA-N 1 2 282.384 0.643 20 30 CCEDLO CC(C)c1noc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001493501983 893919902 /nfs/dbraw/zinc/91/99/02/893919902.db2.gz ZXIVQXTTZOSMPI-SNVBAGLBSA-N 1 2 279.344 0.901 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001396764979 913951670 /nfs/dbraw/zinc/95/16/70/913951670.db2.gz PJZJOQNUFNJUSZ-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO Cc1cnc(C[NH+]2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)cn1 ZINC001409831887 895727693 /nfs/dbraw/zinc/72/76/93/895727693.db2.gz FNFTUWZWWSSWNU-PWSUYJOCSA-N 1 2 287.367 0.881 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001483641312 895777211 /nfs/dbraw/zinc/77/72/11/895777211.db2.gz ODAAMBGBCCQPRN-OAIDTJHVSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001483641312 895777228 /nfs/dbraw/zinc/77/72/28/895777228.db2.gz ODAAMBGBCCQPRN-OAIDTJHVSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001483876500 896100757 /nfs/dbraw/zinc/10/07/57/896100757.db2.gz WIDRIFDMDBWXOL-CQSZACIVSA-N 1 2 286.347 0.460 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484054300 896175052 /nfs/dbraw/zinc/17/50/52/896175052.db2.gz NPEJATYUIFTVSH-FZMZJTMJSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484054300 896175059 /nfs/dbraw/zinc/17/50/59/896175059.db2.gz NPEJATYUIFTVSH-FZMZJTMJSA-N 1 2 283.347 0.065 20 30 CCEDLO C=CCCCCC[NH+]1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001484300519 896332516 /nfs/dbraw/zinc/33/25/16/896332516.db2.gz DISPUJWTHHNYTN-UHFFFAOYSA-N 1 2 293.371 0.328 20 30 CCEDLO CC#CCN1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001484601777 896488200 /nfs/dbraw/zinc/48/82/00/896488200.db2.gz WEKDJNNRQUELJY-CQSZACIVSA-N 1 2 290.367 0.114 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001397159420 914071787 /nfs/dbraw/zinc/07/17/87/914071787.db2.gz PFOIPEGJPCMBPT-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001485411149 897032169 /nfs/dbraw/zinc/03/21/69/897032169.db2.gz OGYHGOUJMGBKBK-KBPBESRZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)on2)C1 ZINC001107825509 897327949 /nfs/dbraw/zinc/32/79/49/897327949.db2.gz XOBZVESVMLOLFA-HNNXBMFYSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(C)on2)C1 ZINC001107825509 897327967 /nfs/dbraw/zinc/32/79/67/897327967.db2.gz XOBZVESVMLOLFA-HNNXBMFYSA-N 1 2 293.367 0.919 20 30 CCEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001107851855 897359751 /nfs/dbraw/zinc/35/97/51/897359751.db2.gz SNTCYFGPEJPENV-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001077734027 897373324 /nfs/dbraw/zinc/37/33/24/897373324.db2.gz CYLJGBLEPZJGFX-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001077734027 897373335 /nfs/dbraw/zinc/37/33/35/897373335.db2.gz CYLJGBLEPZJGFX-VXGBXAGGSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C1CC1)CC2 ZINC001127909540 897452665 /nfs/dbraw/zinc/45/26/65/897452665.db2.gz ACCIEJLJVPPTAH-LBPRGKRZSA-N 1 2 287.367 0.232 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107900671 897464394 /nfs/dbraw/zinc/46/43/94/897464394.db2.gz YUVMLOLKAAUFAJ-SNVBAGLBSA-N 1 2 284.323 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001032404565 897465377 /nfs/dbraw/zinc/46/53/77/897465377.db2.gz NAWQDYUZFQZXBG-AVGNSLFASA-N 1 2 284.363 0.748 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccnn2C)C1 ZINC001107905371 897478465 /nfs/dbraw/zinc/47/84/65/897478465.db2.gz XSOBWEVNWCVNSW-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccnn2C)C1 ZINC001107905371 897478481 /nfs/dbraw/zinc/47/84/81/897478481.db2.gz XSOBWEVNWCVNSW-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC(O)CC2)C1 ZINC001107909193 897483434 /nfs/dbraw/zinc/48/34/34/897483434.db2.gz WJMZGSYCSSTULI-ZBCRRDGASA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC(O)CC2)C1 ZINC001107909193 897483441 /nfs/dbraw/zinc/48/34/41/897483441.db2.gz WJMZGSYCSSTULI-ZBCRRDGASA-N 1 2 296.411 0.931 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001077790866 897506722 /nfs/dbraw/zinc/50/67/22/897506722.db2.gz HGDAMXDDIQNZCU-QKPAOTATSA-N 1 2 284.359 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001077790866 897506735 /nfs/dbraw/zinc/50/67/35/897506735.db2.gz HGDAMXDDIQNZCU-QKPAOTATSA-N 1 2 284.359 0.585 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ncccc12 ZINC001032449160 897583441 /nfs/dbraw/zinc/58/34/41/897583441.db2.gz AAZBHACUZNIBPQ-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ncccc12 ZINC001032449160 897583451 /nfs/dbraw/zinc/58/34/51/897583451.db2.gz AAZBHACUZNIBPQ-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1CC ZINC001032463111 897598992 /nfs/dbraw/zinc/59/89/92/897598992.db2.gz KNYQYZQMNIRKND-RYUDHWBXSA-N 1 2 272.352 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1CC ZINC001032463111 897599005 /nfs/dbraw/zinc/59/90/05/897599005.db2.gz KNYQYZQMNIRKND-RYUDHWBXSA-N 1 2 272.352 0.514 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncs1 ZINC001032461153 897600356 /nfs/dbraw/zinc/60/03/56/897600356.db2.gz TWSPVUKORMYJHF-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncs1 ZINC001032461153 897600363 /nfs/dbraw/zinc/60/03/63/897600363.db2.gz TWSPVUKORMYJHF-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nncn2CC1 ZINC001032528394 897706791 /nfs/dbraw/zinc/70/67/91/897706791.db2.gz QVDGRMRYUVZOJF-IHRRRGAJSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nncn2CC1 ZINC001032528394 897706806 /nfs/dbraw/zinc/70/68/06/897706806.db2.gz QVDGRMRYUVZOJF-IHRRRGAJSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C(C)C)n1 ZINC001032531601 897708131 /nfs/dbraw/zinc/70/81/31/897708131.db2.gz ZJEVTSXAAOHMPV-GJZGRUSLSA-N 1 2 286.379 0.925 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C(C)C)n1 ZINC001032531601 897708141 /nfs/dbraw/zinc/70/81/41/897708141.db2.gz ZJEVTSXAAOHMPV-GJZGRUSLSA-N 1 2 286.379 0.925 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cnn(C)c1 ZINC001032536442 897717050 /nfs/dbraw/zinc/71/70/50/897717050.db2.gz FETOLLVCWCFOEJ-QEJZJMRPSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cnn(C)c1 ZINC001032536442 897717061 /nfs/dbraw/zinc/71/70/61/897717061.db2.gz FETOLLVCWCFOEJ-QEJZJMRPSA-N 1 2 286.379 0.832 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001032621040 897837115 /nfs/dbraw/zinc/83/71/15/897837115.db2.gz QNEIYRKJYFGBNM-SDDRHHMPSA-N 1 2 285.351 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)nc1 ZINC001032666895 897913737 /nfs/dbraw/zinc/91/37/37/897913737.db2.gz JAQAQWJOKLKVDS-KBPBESRZSA-N 1 2 282.347 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)nc1 ZINC001032666895 897913746 /nfs/dbraw/zinc/91/37/46/897913746.db2.gz JAQAQWJOKLKVDS-KBPBESRZSA-N 1 2 282.347 0.886 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncn1 ZINC001032691308 897936746 /nfs/dbraw/zinc/93/67/46/897936746.db2.gz SZHYKEMHGMPTHM-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncn1 ZINC001032691308 897936756 /nfs/dbraw/zinc/93/67/56/897936756.db2.gz SZHYKEMHGMPTHM-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncccn2n1 ZINC001032692962 897938958 /nfs/dbraw/zinc/93/89/58/897938958.db2.gz IRMVKJVTJOMVLQ-QWRGUYRKSA-N 1 2 284.323 0.209 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncccn2n1 ZINC001032692962 897938960 /nfs/dbraw/zinc/93/89/60/897938960.db2.gz IRMVKJVTJOMVLQ-QWRGUYRKSA-N 1 2 284.323 0.209 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)n1 ZINC001032711236 897954589 /nfs/dbraw/zinc/95/45/89/897954589.db2.gz NARJBMBTKQRBPF-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)n1 ZINC001032711236 897954600 /nfs/dbraw/zinc/95/46/00/897954600.db2.gz NARJBMBTKQRBPF-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001077838470 897974017 /nfs/dbraw/zinc/97/40/17/897974017.db2.gz XQJSYPAFCOXMBU-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001077838470 897974035 /nfs/dbraw/zinc/97/40/35/897974035.db2.gz XQJSYPAFCOXMBU-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001077883664 897996192 /nfs/dbraw/zinc/99/61/92/897996192.db2.gz JOXQXOJZJAKIBE-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001077883664 897996202 /nfs/dbraw/zinc/99/62/02/897996202.db2.gz JOXQXOJZJAKIBE-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC001077891272 897999760 /nfs/dbraw/zinc/99/97/60/897999760.db2.gz XWRGPMZCWFIZRZ-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC001077891272 897999770 /nfs/dbraw/zinc/99/97/70/897999770.db2.gz XWRGPMZCWFIZRZ-ZIAGYGMSSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCN(C)C1=O ZINC001032728486 898021386 /nfs/dbraw/zinc/02/13/86/898021386.db2.gz DXVMGXTVTUMMDM-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCN(C)C1=O ZINC001032728486 898021396 /nfs/dbraw/zinc/02/13/96/898021396.db2.gz DXVMGXTVTUMMDM-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001108012227 898111716 /nfs/dbraw/zinc/11/17/16/898111716.db2.gz PZVZCHQQLOYGCT-CQSZACIVSA-N 1 2 294.355 0.430 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001108012227 898111720 /nfs/dbraw/zinc/11/17/20/898111720.db2.gz PZVZCHQQLOYGCT-CQSZACIVSA-N 1 2 294.355 0.430 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C(N)=O)c1 ZINC001032784902 898196745 /nfs/dbraw/zinc/19/67/45/898196745.db2.gz OKNWBRCYWBKSNH-RYUDHWBXSA-N 1 2 286.335 0.036 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C(N)=O)c1 ZINC001032784902 898196755 /nfs/dbraw/zinc/19/67/55/898196755.db2.gz OKNWBRCYWBKSNH-RYUDHWBXSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001078051212 898202171 /nfs/dbraw/zinc/20/21/71/898202171.db2.gz XRAFSMKAIDCZJF-CHWSQXEVSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001078051212 898202190 /nfs/dbraw/zinc/20/21/90/898202190.db2.gz XRAFSMKAIDCZJF-CHWSQXEVSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123148 898277470 /nfs/dbraw/zinc/27/74/70/898277470.db2.gz BVSMSSMXYMKHPW-GFCCVEGCSA-N 1 2 272.352 0.221 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001078222567 898298181 /nfs/dbraw/zinc/29/81/81/898298181.db2.gz HSETVPVQTLLVPE-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001078222567 898298198 /nfs/dbraw/zinc/29/81/98/898298198.db2.gz HSETVPVQTLLVPE-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1noc2c1COCC2 ZINC001032794191 898301984 /nfs/dbraw/zinc/30/19/84/898301984.db2.gz MOBHRFVDRCLVHH-QWRGUYRKSA-N 1 2 289.335 0.832 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1noc2c1COCC2 ZINC001032794191 898301997 /nfs/dbraw/zinc/30/19/97/898301997.db2.gz MOBHRFVDRCLVHH-QWRGUYRKSA-N 1 2 289.335 0.832 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001486000231 898562545 /nfs/dbraw/zinc/56/25/45/898562545.db2.gz NODQRCPZRYBRCM-PWSUYJOCSA-N 1 2 295.387 0.597 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001397589683 914292518 /nfs/dbraw/zinc/29/25/18/914292518.db2.gz UQGAYIOBIAFPRN-NEPJUHHUSA-N 1 2 291.355 0.444 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001410012883 899097473 /nfs/dbraw/zinc/09/74/73/899097473.db2.gz NJAPHLBIMABTHJ-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001410012883 899097486 /nfs/dbraw/zinc/09/74/86/899097486.db2.gz NJAPHLBIMABTHJ-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001410243827 899298630 /nfs/dbraw/zinc/29/86/30/899298630.db2.gz LBCVCUGPKYFENA-GHMZBOCLSA-N 1 2 299.334 0.728 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H](C)SC)CC1 ZINC001490487962 900639427 /nfs/dbraw/zinc/63/94/27/900639427.db2.gz RRSBLVPXUIFLJL-ZDUSSCGKSA-N 1 2 283.441 0.495 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001490509284 900658825 /nfs/dbraw/zinc/65/88/25/900658825.db2.gz JMZKNMFNVPLVIR-HNNXBMFYSA-N 1 2 289.423 0.934 20 30 CCEDLO C[C@H](CC(=O)NC[C@H](NCC#N)C1CC1)n1cc[nH+]c1 ZINC001490716445 900700892 /nfs/dbraw/zinc/70/08/92/900700892.db2.gz GQKXMGWXXCSOGX-YPMHNXCESA-N 1 2 275.356 0.842 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001327358191 914496376 /nfs/dbraw/zinc/49/63/76/914496376.db2.gz DWKQTPMJZSKTCF-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(COC)CC1)CO2 ZINC001327395658 914520198 /nfs/dbraw/zinc/52/01/98/914520198.db2.gz ABIRAMOSFAZDCR-ZDUSSCGKSA-N 1 2 294.395 0.949 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)[nH]1 ZINC001412418750 901707982 /nfs/dbraw/zinc/70/79/82/901707982.db2.gz OBIQSQBIEKYGCA-GFCCVEGCSA-N 1 2 270.296 0.396 20 30 CCEDLO C[N@@H+]1CCO[C@H](COc2ccn3ncc(C#N)c3n2)C1 ZINC001230965865 903932241 /nfs/dbraw/zinc/93/22/41/903932241.db2.gz NLLXWIBCXTZPGI-NSHDSACASA-N 1 2 273.296 0.310 20 30 CCEDLO C[N@H+]1CCO[C@H](COc2ccn3ncc(C#N)c3n2)C1 ZINC001230965865 903932253 /nfs/dbraw/zinc/93/22/53/903932253.db2.gz NLLXWIBCXTZPGI-NSHDSACASA-N 1 2 273.296 0.310 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccns1 ZINC001330912118 903935659 /nfs/dbraw/zinc/93/56/59/903935659.db2.gz ZEFNCRZLGRLBOJ-JTQLQIEISA-N 1 2 283.353 0.248 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280946387 904180887 /nfs/dbraw/zinc/18/08/87/904180887.db2.gz ANVBTKUAMCYDDJ-AWEZNQCLSA-N 1 2 294.395 0.522 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001282403919 904469349 /nfs/dbraw/zinc/46/93/49/904469349.db2.gz YWDRGAYIGNBAFY-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001282403919 904469361 /nfs/dbraw/zinc/46/93/61/904469361.db2.gz YWDRGAYIGNBAFY-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001282530367 904502078 /nfs/dbraw/zinc/50/20/78/904502078.db2.gz RECQIJKPQLUOAM-KBPBESRZSA-N 1 2 294.395 0.378 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001398796802 914846507 /nfs/dbraw/zinc/84/65/07/914846507.db2.gz LTPMPXNFEQQNAC-LVEVGFFFSA-N 1 2 288.355 0.082 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001398796802 914846525 /nfs/dbraw/zinc/84/65/25/914846525.db2.gz LTPMPXNFEQQNAC-LVEVGFFFSA-N 1 2 288.355 0.082 20 30 CCEDLO CC(C)C#CC(=O)NCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001294056359 906554427 /nfs/dbraw/zinc/55/44/27/906554427.db2.gz CUGCIFFYCRXOJR-UHFFFAOYSA-N 1 2 290.367 0.576 20 30 CCEDLO C=CCCC(=O)N[C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001297446436 907077653 /nfs/dbraw/zinc/07/76/53/907077653.db2.gz MMJGYFWPRAXXPE-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001297744779 907113726 /nfs/dbraw/zinc/11/37/26/907113726.db2.gz RVCHEENPIHDXAR-GFCCVEGCSA-N 1 2 290.367 0.624 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001297743830 907114391 /nfs/dbraw/zinc/11/43/91/907114391.db2.gz DZPUGKDMNBHHLC-ZDUSSCGKSA-N 1 2 290.367 0.555 20 30 CCEDLO COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N)on1 ZINC001381506169 907258503 /nfs/dbraw/zinc/25/85/03/907258503.db2.gz DEJWHTCPZCIDGL-ZJUUUORDSA-N 1 2 280.328 0.779 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N)on1 ZINC001381506169 907258521 /nfs/dbraw/zinc/25/85/21/907258521.db2.gz DEJWHTCPZCIDGL-ZJUUUORDSA-N 1 2 280.328 0.779 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381532992 907278451 /nfs/dbraw/zinc/27/84/51/907278451.db2.gz SSTHZYJGJNTTQQ-GMTAPVOTSA-N 1 2 289.339 0.123 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001299079655 907380251 /nfs/dbraw/zinc/38/02/51/907380251.db2.gz HLBAWGJKRYVWEP-GFCCVEGCSA-N 1 2 290.367 0.812 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H](NCC#N)C1 ZINC001316667416 907423539 /nfs/dbraw/zinc/42/35/39/907423539.db2.gz XLKIUBHZEZPGAB-NWDGAFQWSA-N 1 2 275.356 0.659 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382188801 907607862 /nfs/dbraw/zinc/60/78/62/907607862.db2.gz JLDSMZQIQFRBCI-ZJUUUORDSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NCC1CCC1 ZINC001492216620 907765728 /nfs/dbraw/zinc/76/57/28/907765728.db2.gz DVZRYZKVAARCBF-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NCC1CCC1 ZINC001492216620 907765733 /nfs/dbraw/zinc/76/57/33/907765733.db2.gz DVZRYZKVAARCBF-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001492251732 907805816 /nfs/dbraw/zinc/80/58/16/907805816.db2.gz VXIHOARAQWDKFP-UHFFFAOYSA-N 1 2 290.367 0.373 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001492251732 907805829 /nfs/dbraw/zinc/80/58/29/907805829.db2.gz VXIHOARAQWDKFP-UHFFFAOYSA-N 1 2 290.367 0.373 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001492266782 907815828 /nfs/dbraw/zinc/81/58/28/907815828.db2.gz JYKKBOKEYGIFKW-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001492266782 907815847 /nfs/dbraw/zinc/81/58/47/907815847.db2.gz JYKKBOKEYGIFKW-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO C[N@H+](CCNC(=O)C12CCC(CC1)C2)CC(=O)NCC#N ZINC001492304067 907832041 /nfs/dbraw/zinc/83/20/41/907832041.db2.gz OPXLCVTYBRVRNK-UHFFFAOYSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)C12CCC(CC1)C2)CC(=O)NCC#N ZINC001492304067 907832048 /nfs/dbraw/zinc/83/20/48/907832048.db2.gz OPXLCVTYBRVRNK-UHFFFAOYSA-N 1 2 292.383 0.254 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001317229453 907968100 /nfs/dbraw/zinc/96/81/00/907968100.db2.gz OHYCWHHJYXLBDH-YUMQZZPRSA-N 1 2 253.331 0.292 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001337974524 908193814 /nfs/dbraw/zinc/19/38/14/908193814.db2.gz DQGLMJMSUHACRH-FZMZJTMJSA-N 1 2 277.372 0.186 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001337974524 908193820 /nfs/dbraw/zinc/19/38/20/908193820.db2.gz DQGLMJMSUHACRH-FZMZJTMJSA-N 1 2 277.372 0.186 20 30 CCEDLO COC(=O)CN(CC#N)Cc1cccc(N(C)C)[nH+]1 ZINC001307512522 908320660 /nfs/dbraw/zinc/32/06/60/908320660.db2.gz DKVYRDFYCUPVOC-UHFFFAOYSA-N 1 2 262.313 0.646 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001328648944 908696554 /nfs/dbraw/zinc/69/65/54/908696554.db2.gz JWTPVBINWYAJFQ-LBPRGKRZSA-N 1 2 285.388 0.597 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973584 908705626 /nfs/dbraw/zinc/70/56/26/908705626.db2.gz GYFXEJXGKXSWHF-QWHCGFSZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973584 908705636 /nfs/dbraw/zinc/70/56/36/908705636.db2.gz GYFXEJXGKXSWHF-QWHCGFSZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cnns3)n2C)CC1 ZINC001338335273 921435576 /nfs/dbraw/zinc/43/55/76/921435576.db2.gz ONMZUKRMMTUKPH-UHFFFAOYSA-N 1 2 289.368 0.089 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCOC)[C@H]1C ZINC001316778278 908767887 /nfs/dbraw/zinc/76/78/87/908767887.db2.gz JTNLKCPLCZZJFJ-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCOC)[C@H]1C ZINC001316778278 908767898 /nfs/dbraw/zinc/76/78/98/908767898.db2.gz JTNLKCPLCZZJFJ-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001316941858 908862259 /nfs/dbraw/zinc/86/22/59/908862259.db2.gz RZNNMTHDRXMYHB-GFCCVEGCSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001316941858 908862275 /nfs/dbraw/zinc/86/22/75/908862275.db2.gz RZNNMTHDRXMYHB-GFCCVEGCSA-N 1 2 293.371 0.098 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001316965351 908872750 /nfs/dbraw/zinc/87/27/50/908872750.db2.gz XHAKEJSNMIKAGM-CQSZACIVSA-N 1 2 290.411 0.824 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CCc2ccco2)CC1 ZINC001316962150 908876473 /nfs/dbraw/zinc/87/64/73/908876473.db2.gz IVSCHZHXHRYAPE-UHFFFAOYSA-N 1 2 289.379 0.579 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001316986631 908899408 /nfs/dbraw/zinc/89/94/08/908899408.db2.gz YZCXZPICMSVINT-CJNGLKHVSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001316986631 908899422 /nfs/dbraw/zinc/89/94/22/908899422.db2.gz YZCXZPICMSVINT-CJNGLKHVSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001317042586 908937144 /nfs/dbraw/zinc/93/71/44/908937144.db2.gz IXLSWHLOCUMUGL-RTXFEEFZSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001317042586 908937149 /nfs/dbraw/zinc/93/71/49/908937149.db2.gz IXLSWHLOCUMUGL-RTXFEEFZSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001317107392 908983965 /nfs/dbraw/zinc/98/39/65/908983965.db2.gz JOBSDFCNXYZYQD-PHIMTYICSA-N 1 2 294.355 0.571 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1cnsn1 ZINC001317238172 909076679 /nfs/dbraw/zinc/07/66/79/909076679.db2.gz FWUXGUBUVARIHY-SECBINFHSA-N 1 2 264.354 0.546 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001317556326 909329448 /nfs/dbraw/zinc/32/94/48/909329448.db2.gz CHGZLQUBFUCRMQ-CQSZACIVSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001317556326 909329466 /nfs/dbraw/zinc/32/94/66/909329466.db2.gz CHGZLQUBFUCRMQ-CQSZACIVSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001318107662 909625355 /nfs/dbraw/zinc/62/53/55/909625355.db2.gz OVZLJOTVQCCZNI-SNVBAGLBSA-N 1 2 292.339 0.027 20 30 CCEDLO C#CCCCC(=O)NCC1C[NH+](CC(=O)NC(C)(C)C)C1 ZINC001318118160 909631119 /nfs/dbraw/zinc/63/11/19/909631119.db2.gz QJOFNYXCKLZSHW-UHFFFAOYSA-N 1 2 293.411 0.753 20 30 CCEDLO CC[C@H](C)OCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001318193262 909663247 /nfs/dbraw/zinc/66/32/47/909663247.db2.gz ORBLTGJUDWTGKM-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO CC[C@H](C)OCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001318193262 909663254 /nfs/dbraw/zinc/66/32/54/909663254.db2.gz ORBLTGJUDWTGKM-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001318209857 909666143 /nfs/dbraw/zinc/66/61/43/909666143.db2.gz RDBZBRISOPJXTQ-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001318209857 909666150 /nfs/dbraw/zinc/66/61/50/909666150.db2.gz RDBZBRISOPJXTQ-MELADBBJSA-N 1 2 289.379 0.354 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001318240238 909671827 /nfs/dbraw/zinc/67/18/27/909671827.db2.gz JJKJXXFNXGXKHT-STQMWFEESA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001318240238 909671837 /nfs/dbraw/zinc/67/18/37/909671837.db2.gz JJKJXXFNXGXKHT-STQMWFEESA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001318254280 909677516 /nfs/dbraw/zinc/67/75/16/909677516.db2.gz ASEZIPYFJMHZDM-LBPRGKRZSA-N 1 2 265.357 0.431 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001318254280 909677524 /nfs/dbraw/zinc/67/75/24/909677524.db2.gz ASEZIPYFJMHZDM-LBPRGKRZSA-N 1 2 265.357 0.431 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001318275628 909686618 /nfs/dbraw/zinc/68/66/18/909686618.db2.gz CBWLMCVVQJVAEJ-GXTWGEPZSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001318275628 909686620 /nfs/dbraw/zinc/68/66/20/909686620.db2.gz CBWLMCVVQJVAEJ-GXTWGEPZSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001318301002 909694818 /nfs/dbraw/zinc/69/48/18/909694818.db2.gz ALCZJCPAWNPUKS-NEPJUHHUSA-N 1 2 295.364 0.093 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001318329643 909708692 /nfs/dbraw/zinc/70/86/92/909708692.db2.gz RBEPGAOHGJBKIR-CYBMUJFWSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001318329643 909708698 /nfs/dbraw/zinc/70/86/98/909708698.db2.gz RBEPGAOHGJBKIR-CYBMUJFWSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001318376916 909729673 /nfs/dbraw/zinc/72/96/73/909729673.db2.gz VWZQSDUKIDPTPZ-NXEZZACHSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001318376916 909729683 /nfs/dbraw/zinc/72/96/83/909729683.db2.gz VWZQSDUKIDPTPZ-NXEZZACHSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001319331625 910100837 /nfs/dbraw/zinc/10/08/37/910100837.db2.gz ZTYBKBWZNVINFP-ZIAGYGMSSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001319331625 910100843 /nfs/dbraw/zinc/10/08/43/910100843.db2.gz ZTYBKBWZNVINFP-ZIAGYGMSSA-N 1 2 292.383 0.837 20 30 CCEDLO N#CCCCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001320579408 910749790 /nfs/dbraw/zinc/74/97/90/910749790.db2.gz PKKPJFBINMRVJP-LLVKDONJSA-N 1 2 282.369 0.811 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001391072780 910849345 /nfs/dbraw/zinc/84/93/45/910849345.db2.gz FISULGWHDRSFQW-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001391072780 910849365 /nfs/dbraw/zinc/84/93/65/910849365.db2.gz FISULGWHDRSFQW-NSHDSACASA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CC)C1 ZINC001391550627 911219012 /nfs/dbraw/zinc/21/90/12/911219012.db2.gz UPISALJYEVHAQO-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CC)C1 ZINC001391550627 911218993 /nfs/dbraw/zinc/21/89/93/911218993.db2.gz UPISALJYEVHAQO-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC001321581259 911385495 /nfs/dbraw/zinc/38/54/95/911385495.db2.gz CGZJEBBJJVHZIK-UHFFFAOYSA-N 1 2 262.313 0.176 20 30 CCEDLO CCn1cc(C[NH2+]Cc2nc(C#N)cs2)c(=O)[nH]c1=O ZINC001474759114 911391161 /nfs/dbraw/zinc/39/11/61/911391161.db2.gz AYVKRFGQIBONJP-UHFFFAOYSA-N 1 2 291.336 0.587 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001392264652 911679753 /nfs/dbraw/zinc/67/97/53/911679753.db2.gz FZKGCJNYTUEYBL-OLZOCXBDSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001392264652 911679770 /nfs/dbraw/zinc/67/97/70/911679770.db2.gz FZKGCJNYTUEYBL-OLZOCXBDSA-N 1 2 296.415 0.841 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)o1 ZINC001392556955 911937468 /nfs/dbraw/zinc/93/74/68/911937468.db2.gz XJYCZUGUGHBIMJ-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323228739 912200993 /nfs/dbraw/zinc/20/09/93/912200993.db2.gz YVWSCVLAXWOZCX-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323228739 912201010 /nfs/dbraw/zinc/20/10/10/912201010.db2.gz YVWSCVLAXWOZCX-RYUDHWBXSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1nncs1 ZINC001398919283 914948962 /nfs/dbraw/zinc/94/89/62/914948962.db2.gz RSKUKBAFVMXSIS-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001399903571 915429263 /nfs/dbraw/zinc/42/92/63/915429263.db2.gz QJRXAQIWFBVRBH-MWLCHTKSSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001399903571 915429272 /nfs/dbraw/zinc/42/92/72/915429272.db2.gz QJRXAQIWFBVRBH-MWLCHTKSSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1cc(C#N)nc(N(C)CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001418028165 921771939 /nfs/dbraw/zinc/77/19/39/921771939.db2.gz YZQTXIOCJWEJQW-UHFFFAOYSA-N 1 2 299.338 0.106 20 30 CCEDLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)NCC#N ZINC001329084156 915654446 /nfs/dbraw/zinc/65/44/46/915654446.db2.gz CCSHLHZSXBGUCU-WDEREUQCSA-N 1 2 263.345 0.359 20 30 CCEDLO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001329287465 915793188 /nfs/dbraw/zinc/79/31/88/915793188.db2.gz LNNFTTNAUKIBAK-VHSXEESVSA-N 1 2 292.343 0.237 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001329491553 915961179 /nfs/dbraw/zinc/96/11/79/915961179.db2.gz UPICMAZOIWYEHB-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028761 /nfs/dbraw/zinc/02/87/61/916028761.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028783 /nfs/dbraw/zinc/02/87/83/916028783.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028800 /nfs/dbraw/zinc/02/88/00/916028800.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028821 /nfs/dbraw/zinc/02/88/21/916028821.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028841 /nfs/dbraw/zinc/02/88/41/916028841.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576986 916028860 /nfs/dbraw/zinc/02/88/60/916028860.db2.gz UVZHJJROVNQRSJ-ZDUSSCGKSA-N 1 2 297.362 0.907 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CCCO2)C1 ZINC001329636896 916086838 /nfs/dbraw/zinc/08/68/38/916086838.db2.gz BASBOZYCOWDZGF-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C(C)(F)F)C1 ZINC001329954951 916310722 /nfs/dbraw/zinc/31/07/22/916310722.db2.gz ZIGPHAAVSIRTRK-VIFPVBQESA-N 1 2 289.326 0.380 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CC1(C)C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001329981996 916335435 /nfs/dbraw/zinc/33/54/35/916335435.db2.gz BPIXWKIIPPYURQ-ZYHUDNBSSA-N 1 2 292.383 0.109 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H](F)CC)C(C)(C)C1 ZINC001330220232 916488227 /nfs/dbraw/zinc/48/82/27/916488227.db2.gz GMHMUAKBACSTCP-NEPJUHHUSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H](F)CC)C(C)(C)C1 ZINC001330220232 916488235 /nfs/dbraw/zinc/48/82/35/916488235.db2.gz GMHMUAKBACSTCP-NEPJUHHUSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC001330559141 916699292 /nfs/dbraw/zinc/69/92/92/916699292.db2.gz LIFRFHSVYOJHIC-LLVKDONJSA-N 1 2 286.353 0.704 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC001330559141 916699306 /nfs/dbraw/zinc/69/93/06/916699306.db2.gz LIFRFHSVYOJHIC-LLVKDONJSA-N 1 2 286.353 0.704 20 30 CCEDLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001402323834 916956453 /nfs/dbraw/zinc/95/64/53/916956453.db2.gz DPOFKLYTIXKZIT-JTQLQIEISA-N 1 2 294.330 0.411 20 30 CCEDLO Cc1nonc1C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001402639001 917148634 /nfs/dbraw/zinc/14/86/34/917148634.db2.gz QLUMWEQUCLIBHD-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1nonc1C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001402639001 917148642 /nfs/dbraw/zinc/14/86/42/917148642.db2.gz QLUMWEQUCLIBHD-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC001402663638 917162384 /nfs/dbraw/zinc/16/23/84/917162384.db2.gz IUCBAGVZPLTUNT-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC001402663638 917162396 /nfs/dbraw/zinc/16/23/96/917162396.db2.gz IUCBAGVZPLTUNT-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC001402663623 917165198 /nfs/dbraw/zinc/16/51/98/917165198.db2.gz IUCBAGVZPLTUNT-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC001402663623 917165211 /nfs/dbraw/zinc/16/52/11/917165211.db2.gz IUCBAGVZPLTUNT-NWDGAFQWSA-N 1 2 290.371 0.303 20 30 CCEDLO CCCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001402852004 917285906 /nfs/dbraw/zinc/28/59/06/917285906.db2.gz KODKFSUBOCMQHU-UWVGGRQHSA-N 1 2 279.344 0.776 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404412531 918341944 /nfs/dbraw/zinc/34/19/44/918341944.db2.gz MWIGAQFLWGBVEO-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404412531 918341956 /nfs/dbraw/zinc/34/19/56/918341956.db2.gz MWIGAQFLWGBVEO-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO N#CCN1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC001332875968 918504013 /nfs/dbraw/zinc/50/40/13/918504013.db2.gz GEDXBJBMHMQEGT-GFCCVEGCSA-N 1 2 288.355 0.095 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001404990094 918552507 /nfs/dbraw/zinc/55/25/07/918552507.db2.gz SVFAKLRQJDQUDI-OLZOCXBDSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001404990094 918552522 /nfs/dbraw/zinc/55/25/22/918552522.db2.gz SVFAKLRQJDQUDI-OLZOCXBDSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001405143639 918623607 /nfs/dbraw/zinc/62/36/07/918623607.db2.gz JIUCVFAAFNIMNI-GHMZBOCLSA-N 1 2 291.355 0.085 20 30 CCEDLO COCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001405802028 918915541 /nfs/dbraw/zinc/91/55/41/918915541.db2.gz XTXYEXRYOUAJCR-NXEZZACHSA-N 1 2 295.343 0.312 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001333569434 919009194 /nfs/dbraw/zinc/00/91/94/919009194.db2.gz XQPXDSHEZOYORG-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001333569434 919009209 /nfs/dbraw/zinc/00/92/09/919009209.db2.gz XQPXDSHEZOYORG-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C#CCC[NH+]1CCN(CC[S@@](=O)C(F)(F)F)CC1 ZINC001333873256 919223299 /nfs/dbraw/zinc/22/32/99/919223299.db2.gz ICVZEQPSHZAAQY-GOSISDBHSA-N 1 2 282.331 0.896 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)CCc2c[nH]nn2)CC1 ZINC001406967220 919560098 /nfs/dbraw/zinc/56/00/98/919560098.db2.gz SYEPYHWIMKGXGB-UHFFFAOYSA-N 1 2 283.763 0.728 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)CCc2cnn[nH]2)CC1 ZINC001406967220 919560108 /nfs/dbraw/zinc/56/01/08/919560108.db2.gz SYEPYHWIMKGXGB-UHFFFAOYSA-N 1 2 283.763 0.728 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC001335401792 920174380 /nfs/dbraw/zinc/17/43/80/920174380.db2.gz OYPKJUXGCGXQPC-HBNTYKKESA-N 1 2 260.297 0.275 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001419089295 922631963 /nfs/dbraw/zinc/63/19/63/922631963.db2.gz RTOTUJIINBPIHI-LLVKDONJSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001419089295 922631970 /nfs/dbraw/zinc/63/19/70/922631970.db2.gz RTOTUJIINBPIHI-LLVKDONJSA-N 1 2 273.764 0.456 20 30 CCEDLO C=CCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001343179092 923225158 /nfs/dbraw/zinc/22/51/58/923225158.db2.gz GTVYRZDHGWPITJ-BDAKNGLRSA-N 1 2 296.339 0.171 20 30 CCEDLO CCS(=O)(=O)CCC[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001420189910 923391178 /nfs/dbraw/zinc/39/11/78/923391178.db2.gz GAJHJXDXDIAJDP-LLVKDONJSA-N 1 2 289.401 0.019 20 30 CCEDLO CCS(=O)(=O)CCC[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001420189910 923391196 /nfs/dbraw/zinc/39/11/96/923391196.db2.gz GAJHJXDXDIAJDP-LLVKDONJSA-N 1 2 289.401 0.019 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC001344464239 923609008 /nfs/dbraw/zinc/60/90/08/923609008.db2.gz IMITZKJGHGFXFT-GHMZBOCLSA-N 1 2 281.312 0.305 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346604776 924277044 /nfs/dbraw/zinc/27/70/44/924277044.db2.gz BSYNMTDPAMGWIJ-CHWSQXEVSA-N 1 2 268.405 0.838 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346604776 924277053 /nfs/dbraw/zinc/27/70/53/924277053.db2.gz BSYNMTDPAMGWIJ-CHWSQXEVSA-N 1 2 268.405 0.838 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC001347618077 924495287 /nfs/dbraw/zinc/49/52/87/924495287.db2.gz RUGSTERRBGQEBN-KGLIPLIRSA-N 1 2 280.416 0.579 20 30 CCEDLO C=CCC1(O)CN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC001347792123 924538495 /nfs/dbraw/zinc/53/84/95/924538495.db2.gz FVLIYUONSKQUQL-UKTHLTGXSA-N 1 2 280.368 0.414 20 30 CCEDLO C[NH+](C)Cc1nc(CNC(=O)CSCC#N)co1 ZINC001348485130 924703275 /nfs/dbraw/zinc/70/32/75/924703275.db2.gz GOFWEMPZLKNWNW-UHFFFAOYSA-N 1 2 268.342 0.609 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)nn1 ZINC001348965320 924855546 /nfs/dbraw/zinc/85/55/46/924855546.db2.gz CHPSVLFOHBLCGX-JTQLQIEISA-N 1 2 260.301 0.538 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349867454 925080545 /nfs/dbraw/zinc/08/05/45/925080545.db2.gz MSASLXFFCHRWOM-KGLIPLIRSA-N 1 2 298.431 0.249 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001350817566 925288000 /nfs/dbraw/zinc/28/80/00/925288000.db2.gz DTEVNSKWQOPSEE-GFCCVEGCSA-N 1 2 273.336 0.432 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2C)CC1 ZINC001351183963 925379038 /nfs/dbraw/zinc/37/90/38/925379038.db2.gz UKXFFRXWBJSOBY-CYBMUJFWSA-N 1 2 286.383 0.978 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001351188617 925382492 /nfs/dbraw/zinc/38/24/92/925382492.db2.gz UUZKCNBOJSFJLX-ZDUSSCGKSA-N 1 2 268.405 0.888 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351205893 925383154 /nfs/dbraw/zinc/38/31/54/925383154.db2.gz PLIZFQPDJSUCQN-SRVKXCTJSA-N 1 2 270.377 0.426 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001351205893 925383163 /nfs/dbraw/zinc/38/31/63/925383163.db2.gz PLIZFQPDJSUCQN-SRVKXCTJSA-N 1 2 270.377 0.426 20 30 CCEDLO COCC#CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001352242728 925548139 /nfs/dbraw/zinc/54/81/39/925548139.db2.gz MZHNDFJOPDJQPY-AWEZNQCLSA-N 1 2 258.321 0.939 20 30 CCEDLO COCC#CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001352242728 925548144 /nfs/dbraw/zinc/54/81/44/925548144.db2.gz MZHNDFJOPDJQPY-AWEZNQCLSA-N 1 2 258.321 0.939 20 30 CCEDLO Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001480437323 925709189 /nfs/dbraw/zinc/70/91/89/925709189.db2.gz HQTSFRVEVCPUBM-DTWKUNHWSA-N 1 2 250.302 0.737 20 30 CCEDLO C[C@@H](Nc1nnccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC001354103016 926016041 /nfs/dbraw/zinc/01/60/41/926016041.db2.gz WNIGOMJDKWSDBU-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@H](C)CO1 ZINC001300612500 926109999 /nfs/dbraw/zinc/10/99/99/926109999.db2.gz AZYNJCDUKUFKRD-DDHJBXDOSA-N 1 2 251.330 0.371 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@H](C)CO1 ZINC001300612500 926110004 /nfs/dbraw/zinc/11/00/04/926110004.db2.gz AZYNJCDUKUFKRD-DDHJBXDOSA-N 1 2 251.330 0.371 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCc2nnc(C)o2)nn1 ZINC001355415817 926255764 /nfs/dbraw/zinc/25/57/64/926255764.db2.gz XJTYBAZEAYFWIV-UHFFFAOYSA-N 1 2 260.301 0.325 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC001356882761 926458029 /nfs/dbraw/zinc/45/80/29/926458029.db2.gz ZBIIYFWNOOZEGL-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357021557 926477133 /nfs/dbraw/zinc/47/71/33/926477133.db2.gz WAADNJBUJIDHRB-GFCCVEGCSA-N 1 2 290.367 0.480 20 30 CCEDLO Cc1conc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001421334005 926681077 /nfs/dbraw/zinc/68/10/77/926681077.db2.gz ASWFMDRASRUPOY-YGRLFVJLSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1conc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001421334005 926681081 /nfs/dbraw/zinc/68/10/81/926681081.db2.gz ASWFMDRASRUPOY-YGRLFVJLSA-N 1 2 292.339 0.196 20 30 CCEDLO C=CCCCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001358410945 926692513 /nfs/dbraw/zinc/69/25/13/926692513.db2.gz XMEHXIGKQOGGAV-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2nncs2)CCC1 ZINC001421735980 926881785 /nfs/dbraw/zinc/88/17/85/926881785.db2.gz MAASWXCATMLVMW-VIFPVBQESA-N 1 2 279.369 0.826 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CCC)CC1 ZINC001359039413 926886711 /nfs/dbraw/zinc/88/67/11/926886711.db2.gz HVRPEPPHJISVKR-UHFFFAOYSA-N 1 2 291.399 0.980 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001421817456 926926775 /nfs/dbraw/zinc/92/67/75/926926775.db2.gz FTUASYNVAJSZKB-WDEREUQCSA-N 1 2 277.328 0.700 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001421817456 926926782 /nfs/dbraw/zinc/92/67/82/926926782.db2.gz FTUASYNVAJSZKB-WDEREUQCSA-N 1 2 277.328 0.700 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001422185007 927135771 /nfs/dbraw/zinc/13/57/71/927135771.db2.gz RSZSQBKTMRQWOS-SNVBAGLBSA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001422185007 927135779 /nfs/dbraw/zinc/13/57/79/927135779.db2.gz RSZSQBKTMRQWOS-SNVBAGLBSA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001422553185 927363110 /nfs/dbraw/zinc/36/31/10/927363110.db2.gz KIJNGHULKUAFOH-SECBINFHSA-N 1 2 271.752 0.584 20 30 CCEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)nn1C ZINC001422782242 927506940 /nfs/dbraw/zinc/50/69/40/927506940.db2.gz NTNFAQLBKRAELE-WDEREUQCSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)nn1C ZINC001422782242 927506943 /nfs/dbraw/zinc/50/69/43/927506943.db2.gz NTNFAQLBKRAELE-WDEREUQCSA-N 1 2 277.372 0.825 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC001362040995 927547329 /nfs/dbraw/zinc/54/73/29/927547329.db2.gz NVAAGFJLWLJDTC-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001424176403 928118212 /nfs/dbraw/zinc/11/82/12/928118212.db2.gz SJTJVJOAGOYKSW-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001424176403 928118220 /nfs/dbraw/zinc/11/82/20/928118220.db2.gz SJTJVJOAGOYKSW-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001424539252 928210559 /nfs/dbraw/zinc/21/05/59/928210559.db2.gz QHSSVGTUJWGIRJ-MNOVXSKESA-N 1 2 289.339 0.006 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001426350987 928821184 /nfs/dbraw/zinc/82/11/84/928821184.db2.gz DWHMJUWMXKYSID-NWDGAFQWSA-N 1 2 291.355 0.396 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426771804 928913615 /nfs/dbraw/zinc/91/36/15/928913615.db2.gz AENUZWLJEALCOQ-RYUDHWBXSA-N 1 2 289.339 0.102 20 30 CCEDLO N#Cc1ccnc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1 ZINC001363265136 929049173 /nfs/dbraw/zinc/04/91/73/929049173.db2.gz FGKNWWHNYWHELI-WCQYABFASA-N 1 2 272.308 0.884 20 30 CCEDLO N#Cc1ccnc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1 ZINC001363265136 929049183 /nfs/dbraw/zinc/04/91/83/929049183.db2.gz FGKNWWHNYWHELI-WCQYABFASA-N 1 2 272.308 0.884 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001428786830 929317323 /nfs/dbraw/zinc/31/73/23/929317323.db2.gz LKZNFRNMIMNKRC-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001428786830 929317331 /nfs/dbraw/zinc/31/73/31/929317331.db2.gz LKZNFRNMIMNKRC-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001428786827 929318345 /nfs/dbraw/zinc/31/83/45/929318345.db2.gz LKZNFRNMIMNKRC-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001428786827 929318350 /nfs/dbraw/zinc/31/83/50/929318350.db2.gz LKZNFRNMIMNKRC-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001363518731 929322742 /nfs/dbraw/zinc/32/27/42/929322742.db2.gz IVOYMURKZLLFPM-ZDUSSCGKSA-N 1 2 270.292 0.615 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001363518731 929322750 /nfs/dbraw/zinc/32/27/50/929322750.db2.gz IVOYMURKZLLFPM-ZDUSSCGKSA-N 1 2 270.292 0.615 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001443996635 929762335 /nfs/dbraw/zinc/76/23/35/929762335.db2.gz SNGDUNNPVIPAKU-GHMZBOCLSA-N 1 2 291.355 0.085 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001445350983 930108442 /nfs/dbraw/zinc/10/84/42/930108442.db2.gz DGIPZMWFOLAIOT-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001445687881 930212735 /nfs/dbraw/zinc/21/27/35/930212735.db2.gz NSYMEDMEBPQQOB-RKDXNWHRSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001445687881 930212744 /nfs/dbraw/zinc/21/27/44/930212744.db2.gz NSYMEDMEBPQQOB-RKDXNWHRSA-N 1 2 281.385 0.943 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001373504766 930226148 /nfs/dbraw/zinc/22/61/48/930226148.db2.gz ZJAIWFIEOWYLCI-SNVBAGLBSA-N 1 2 283.763 0.640 20 30 CCEDLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001374878236 930706791 /nfs/dbraw/zinc/70/67/91/930706791.db2.gz YGYPKZLDPOBWLV-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375222793 930824081 /nfs/dbraw/zinc/82/40/81/930824081.db2.gz TXRABLBKEQHQBA-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001376528590 931174809 /nfs/dbraw/zinc/17/48/09/931174809.db2.gz IPWPDUSZNFAWOZ-JQWIXIFHSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001376528590 931174813 /nfs/dbraw/zinc/17/48/13/931174813.db2.gz IPWPDUSZNFAWOZ-JQWIXIFHSA-N 1 2 291.355 0.866 20 30 CCEDLO C=CC[NH+]1CCC([NH2+]Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001602722951 971391265 /nfs/dbraw/zinc/39/12/65/971391265.db2.gz CJCAZQASGLRORF-UHFFFAOYSA-N 1 2 278.356 0.858 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090630791 349439479 /nfs/dbraw/zinc/43/94/79/349439479.db2.gz VWGNAVADDWTLAV-LBPRGKRZSA-N 1 2 290.342 0.481 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523093508 260137719 /nfs/dbraw/zinc/13/77/19/260137719.db2.gz ZUCCASBDNHHRPY-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523093508 260137720 /nfs/dbraw/zinc/13/77/20/260137720.db2.gz ZUCCASBDNHHRPY-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407988384 260151636 /nfs/dbraw/zinc/15/16/36/260151636.db2.gz CGGXWCHLKXPJFZ-RYUDHWBXSA-N 1 2 271.386 0.646 20 30 CCEDLO COC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691385 361789535 /nfs/dbraw/zinc/78/95/35/361789535.db2.gz ASWACJKJVBWHAZ-JSGCOSHPSA-N 1 2 295.383 0.675 20 30 CCEDLO COC[C@]1(C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691385 361789539 /nfs/dbraw/zinc/78/95/39/361789539.db2.gz ASWACJKJVBWHAZ-JSGCOSHPSA-N 1 2 295.383 0.675 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093531005 349544799 /nfs/dbraw/zinc/54/47/99/349544799.db2.gz TUGHIICKVKOIFW-SECBINFHSA-N 1 2 269.326 0.275 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093531005 349544802 /nfs/dbraw/zinc/54/48/02/349544802.db2.gz TUGHIICKVKOIFW-SECBINFHSA-N 1 2 269.326 0.275 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599952425 361841511 /nfs/dbraw/zinc/84/15/11/361841511.db2.gz OAXIUJRGFOAVBL-UHFFFAOYSA-N 1 2 255.281 0.818 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599952425 361841513 /nfs/dbraw/zinc/84/15/13/361841513.db2.gz OAXIUJRGFOAVBL-UHFFFAOYSA-N 1 2 255.281 0.818 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccccc1C#N ZINC000600423868 361958734 /nfs/dbraw/zinc/95/87/34/361958734.db2.gz HYWQYMXTMIMSNC-ZDUSSCGKSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccccc1C#N ZINC000600423868 361958737 /nfs/dbraw/zinc/95/87/37/361958737.db2.gz HYWQYMXTMIMSNC-ZDUSSCGKSA-N 1 2 289.335 0.384 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000097259080 349637172 /nfs/dbraw/zinc/63/71/72/349637172.db2.gz ZMPFXEQWQHITIC-UHFFFAOYSA-N 1 2 278.356 0.753 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000097259080 349637175 /nfs/dbraw/zinc/63/71/75/349637175.db2.gz ZMPFXEQWQHITIC-UHFFFAOYSA-N 1 2 278.356 0.753 20 30 CCEDLO N#Cc1csc(C[NH2+]C2CN(c3ccncn3)C2)n1 ZINC000601158317 362161406 /nfs/dbraw/zinc/16/14/06/362161406.db2.gz RGYMTTXKVSEQSJ-UHFFFAOYSA-N 1 2 272.337 0.783 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617732869 365742160 /nfs/dbraw/zinc/74/21/60/365742160.db2.gz KDIPYTBOLUVUMU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617732869 365742162 /nfs/dbraw/zinc/74/21/62/365742162.db2.gz KDIPYTBOLUVUMU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617734330 365744858 /nfs/dbraw/zinc/74/48/58/365744858.db2.gz AYVDNDCNKXMUIE-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617734330 365744864 /nfs/dbraw/zinc/74/48/64/365744864.db2.gz AYVDNDCNKXMUIE-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000330045619 529782191 /nfs/dbraw/zinc/78/21/91/529782191.db2.gz GLRMIAQWSJABLQ-JTQLQIEISA-N 1 2 275.312 0.365 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000330045619 529782193 /nfs/dbraw/zinc/78/21/93/529782193.db2.gz GLRMIAQWSJABLQ-JTQLQIEISA-N 1 2 275.312 0.365 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2c[nH+]c3ccccn23)c1=O ZINC000155925274 290700431 /nfs/dbraw/zinc/70/04/31/290700431.db2.gz PWVRYPDXKJWHON-UHFFFAOYSA-N 1 2 295.302 0.598 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000049000850 260202981 /nfs/dbraw/zinc/20/29/81/260202981.db2.gz QPORLLVYJHKVJZ-ZJUUUORDSA-N 1 2 252.318 0.478 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000049000850 260202982 /nfs/dbraw/zinc/20/29/82/260202982.db2.gz QPORLLVYJHKVJZ-ZJUUUORDSA-N 1 2 252.318 0.478 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1(C#N)CC1 ZINC000601531725 362302633 /nfs/dbraw/zinc/30/26/33/362302633.db2.gz QSQDFTJBQOJDRK-UHFFFAOYSA-N 1 2 254.315 0.475 20 30 CCEDLO C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000601641060 362337167 /nfs/dbraw/zinc/33/71/67/362337167.db2.gz NBVAIVGRHLRAGH-AEJSXWLSSA-N 1 2 261.329 0.903 20 30 CCEDLO C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000601641060 362337174 /nfs/dbraw/zinc/33/71/74/362337174.db2.gz NBVAIVGRHLRAGH-AEJSXWLSSA-N 1 2 261.329 0.903 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCC1 ZINC000601887684 362417586 /nfs/dbraw/zinc/41/75/86/362417586.db2.gz HUAOXDLEVKTDFU-UHFFFAOYSA-N 1 2 299.378 0.857 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976914 362447461 /nfs/dbraw/zinc/44/74/61/362447461.db2.gz QCGPRQMKKVRDJW-SECBINFHSA-N 1 2 291.298 0.354 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976914 362447466 /nfs/dbraw/zinc/44/74/66/362447466.db2.gz QCGPRQMKKVRDJW-SECBINFHSA-N 1 2 291.298 0.354 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602023753 362463313 /nfs/dbraw/zinc/46/33/13/362463313.db2.gz SAQQIZRFZZZKMJ-UHFFFAOYSA-N 1 2 290.298 0.410 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC(=O)NCC2CC2)C1 ZINC000329228634 530070438 /nfs/dbraw/zinc/07/04/38/530070438.db2.gz BWUQYCAEKKVACE-GFCCVEGCSA-N 1 2 297.403 0.102 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC(=O)NCC2CC2)C1 ZINC000329228634 530070439 /nfs/dbraw/zinc/07/04/39/530070439.db2.gz BWUQYCAEKKVACE-GFCCVEGCSA-N 1 2 297.403 0.102 20 30 CCEDLO C=CC[N@H+](CCOCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000292927121 263136468 /nfs/dbraw/zinc/13/64/68/263136468.db2.gz YPMHWJWOSXALOB-LBPRGKRZSA-N 1 2 272.370 0.592 20 30 CCEDLO C=CC[N@@H+](CCOCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000292927121 263136469 /nfs/dbraw/zinc/13/64/69/263136469.db2.gz YPMHWJWOSXALOB-LBPRGKRZSA-N 1 2 272.370 0.592 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)C#N ZINC000602285965 362574836 /nfs/dbraw/zinc/57/48/36/362574836.db2.gz DXORZFQKXHUVRW-JTQLQIEISA-N 1 2 254.334 0.166 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)C#N ZINC000602285965 362574842 /nfs/dbraw/zinc/57/48/42/362574842.db2.gz DXORZFQKXHUVRW-JTQLQIEISA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCC#N)CC1 ZINC000602200996 362555170 /nfs/dbraw/zinc/55/51/70/362555170.db2.gz WCVVNUIGMSOTDI-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCC#N)CC1 ZINC000602200996 362555172 /nfs/dbraw/zinc/55/51/72/362555172.db2.gz WCVVNUIGMSOTDI-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)C ZINC000119236811 349925299 /nfs/dbraw/zinc/92/52/99/349925299.db2.gz LPCAFUFOAKTDRK-GFCCVEGCSA-N 1 2 269.345 0.536 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000602452647 362624919 /nfs/dbraw/zinc/62/49/19/362624919.db2.gz FIFOHHQLTCEXIJ-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000602452647 362624921 /nfs/dbraw/zinc/62/49/21/362624921.db2.gz FIFOHHQLTCEXIJ-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO CC#CC[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000119501818 349939166 /nfs/dbraw/zinc/93/91/66/349939166.db2.gz SOSBCEKIOAMIPM-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO CC#CC[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000119501818 349939168 /nfs/dbraw/zinc/93/91/68/349939168.db2.gz SOSBCEKIOAMIPM-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO C=CCCSCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602533132 362663240 /nfs/dbraw/zinc/66/32/40/362663240.db2.gz ZOYOORKEFONVIS-NSHDSACASA-N 1 2 285.413 0.232 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH2+]CC1=O ZINC000602605667 362710375 /nfs/dbraw/zinc/71/03/75/362710375.db2.gz ZJNVCKNFTILMSM-SNVBAGLBSA-N 1 2 272.308 0.317 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CCN(C#N)CC)C1=O ZINC000602824260 362820270 /nfs/dbraw/zinc/82/02/70/362820270.db2.gz GROHJLHILMWXLS-GFCCVEGCSA-N 1 2 250.346 0.508 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CCN(C#N)CC)C1=O ZINC000602824260 362820271 /nfs/dbraw/zinc/82/02/71/362820271.db2.gz GROHJLHILMWXLS-GFCCVEGCSA-N 1 2 250.346 0.508 20 30 CCEDLO COc1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)nn1 ZINC000602847365 362834661 /nfs/dbraw/zinc/83/46/61/362834661.db2.gz APZYVBKPMLISRK-VXGBXAGGSA-N 1 2 275.356 0.903 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000602850536 362837369 /nfs/dbraw/zinc/83/73/69/362837369.db2.gz XAEGVOPHEYYLEE-RWMBFGLXSA-N 1 2 294.399 0.688 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000602850536 362837371 /nfs/dbraw/zinc/83/73/71/362837371.db2.gz XAEGVOPHEYYLEE-RWMBFGLXSA-N 1 2 294.399 0.688 20 30 CCEDLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)CC#N)C(=O)OC ZINC000602861222 362845264 /nfs/dbraw/zinc/84/52/64/362845264.db2.gz FQYFSTISKDICKL-UMNHJUIQSA-N 1 2 269.345 0.582 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ncccc2C)c1C#N ZINC000534791708 290817331 /nfs/dbraw/zinc/81/73/31/290817331.db2.gz COSKJOKFAUIUJZ-UHFFFAOYSA-N 1 2 298.350 0.811 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000342869514 137101623 /nfs/dbraw/zinc/10/16/23/137101623.db2.gz ZICHMCJRLDVNBJ-LBPRGKRZSA-N 1 2 287.323 0.239 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000342869514 137101624 /nfs/dbraw/zinc/10/16/24/137101624.db2.gz ZICHMCJRLDVNBJ-LBPRGKRZSA-N 1 2 287.323 0.239 20 30 CCEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H](C)O ZINC000343943349 137168913 /nfs/dbraw/zinc/16/89/13/137168913.db2.gz PMZONUXVYARZIA-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H](C)O ZINC000343943349 137168914 /nfs/dbraw/zinc/16/89/14/137168914.db2.gz PMZONUXVYARZIA-NSHDSACASA-N 1 2 297.380 0.430 20 30 CCEDLO C=CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000029318845 348111886 /nfs/dbraw/zinc/11/18/86/348111886.db2.gz FEFRAIWGBNZWMW-UHFFFAOYSA-N 1 2 276.340 0.903 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444720 348112549 /nfs/dbraw/zinc/11/25/49/348112549.db2.gz XPMHYCLBRHFROD-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869963 348172914 /nfs/dbraw/zinc/17/29/14/348172914.db2.gz DWXSDAYRPXAKGC-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869963 348172916 /nfs/dbraw/zinc/17/29/16/348172916.db2.gz DWXSDAYRPXAKGC-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(C)c2=S)CC1 ZINC000044756748 348326015 /nfs/dbraw/zinc/32/60/15/348326015.db2.gz CXFOYZGNDQRARQ-UHFFFAOYSA-N 1 2 251.359 0.159 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000052661223 348513132 /nfs/dbraw/zinc/51/31/32/348513132.db2.gz JJOCWFOEQIQUDL-GFCCVEGCSA-N 1 2 267.373 0.477 20 30 CCEDLO CC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H](C)C#N ZINC000060569265 348646673 /nfs/dbraw/zinc/64/66/73/348646673.db2.gz SOWDKOFMANXJJK-JTQLQIEISA-N 1 2 264.329 0.066 20 30 CCEDLO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H](C)C#N ZINC000060569265 348646675 /nfs/dbraw/zinc/64/66/75/348646675.db2.gz SOWDKOFMANXJJK-JTQLQIEISA-N 1 2 264.329 0.066 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000602999273 362929344 /nfs/dbraw/zinc/92/93/44/362929344.db2.gz BZPSTOULOZTNBJ-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000602999273 362929345 /nfs/dbraw/zinc/92/93/45/362929345.db2.gz BZPSTOULOZTNBJ-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)CCn1nc2ccccn2c1=O ZINC000066469034 348743968 /nfs/dbraw/zinc/74/39/68/348743968.db2.gz IBGNNPTXUJUCBL-LLVKDONJSA-N 1 2 259.313 0.587 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000066469034 348743969 /nfs/dbraw/zinc/74/39/69/348743969.db2.gz IBGNNPTXUJUCBL-LLVKDONJSA-N 1 2 259.313 0.587 20 30 CCEDLO C#CCC[NH+]1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000068693570 348818793 /nfs/dbraw/zinc/81/87/93/348818793.db2.gz GINNNTULUFIOKI-UHFFFAOYSA-N 1 2 292.770 0.979 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000573815107 334968885 /nfs/dbraw/zinc/96/88/85/334968885.db2.gz ZCOIKRQWLPSXFD-DMDPSCGWSA-N 1 2 283.372 0.972 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000070791646 348897152 /nfs/dbraw/zinc/89/71/52/348897152.db2.gz NLNHCKADNFSUIK-UHFFFAOYSA-N 1 2 284.363 0.959 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000072690443 348928281 /nfs/dbraw/zinc/92/82/81/348928281.db2.gz VFGXUUJBNQIKAA-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO COCC[N@H+](CCC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000072690443 348928283 /nfs/dbraw/zinc/92/82/83/348928283.db2.gz VFGXUUJBNQIKAA-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000076781047 349091677 /nfs/dbraw/zinc/09/16/77/349091677.db2.gz GUOMCISRZYEBCA-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000076781047 349091680 /nfs/dbraw/zinc/09/16/80/349091680.db2.gz GUOMCISRZYEBCA-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121180227 350026423 /nfs/dbraw/zinc/02/64/23/350026423.db2.gz BCPNWBYPOFDGEO-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121180227 350026425 /nfs/dbraw/zinc/02/64/25/350026425.db2.gz BCPNWBYPOFDGEO-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCO[C@@H]2C)c1C#N ZINC000538925302 290890731 /nfs/dbraw/zinc/89/07/31/290890731.db2.gz SFGWLFFWQJNZAU-ZJUUUORDSA-N 1 2 291.355 0.219 20 30 CCEDLO C#CCCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000271354381 191091045 /nfs/dbraw/zinc/09/10/45/191091045.db2.gz HARANBFBOUAKIX-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1C#N ZINC000603086613 362955249 /nfs/dbraw/zinc/95/52/49/362955249.db2.gz LUIQRXLKIGIPPZ-NHYWBVRUSA-N 1 2 272.304 0.911 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1C#N ZINC000603086613 362955251 /nfs/dbraw/zinc/95/52/51/362955251.db2.gz LUIQRXLKIGIPPZ-NHYWBVRUSA-N 1 2 272.304 0.911 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000149264909 350477682 /nfs/dbraw/zinc/47/76/82/350477682.db2.gz BQOZBWTUWUQOMQ-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110656901 186311414 /nfs/dbraw/zinc/31/14/14/186311414.db2.gz HIMQMHGDQAKBSS-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000110656901 186311416 /nfs/dbraw/zinc/31/14/16/186311416.db2.gz HIMQMHGDQAKBSS-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000163725897 350772411 /nfs/dbraw/zinc/77/24/11/350772411.db2.gz JVCNXAWTLRCTJS-CHWSQXEVSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000163725897 350772413 /nfs/dbraw/zinc/77/24/13/350772413.db2.gz JVCNXAWTLRCTJS-CHWSQXEVSA-N 1 2 260.293 0.666 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCOC1 ZINC000171037847 350880814 /nfs/dbraw/zinc/88/08/14/350880814.db2.gz YPWYBJLHTKVAFZ-CQSZACIVSA-N 1 2 295.383 0.487 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174937294 351111941 /nfs/dbraw/zinc/11/19/41/351111941.db2.gz KCCWEHIINDCVDL-GFCCVEGCSA-N 1 2 277.372 0.233 20 30 CCEDLO N#Cc1ccc2c(c1)N(C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC000339821573 215353225 /nfs/dbraw/zinc/35/32/25/215353225.db2.gz JBFAPYANUGCAMJ-HNNXBMFYSA-N 1 2 287.363 0.614 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187424004 351542729 /nfs/dbraw/zinc/54/27/29/351542729.db2.gz HURHRFOSBQMSLR-XUJVJEKNSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187424004 351542730 /nfs/dbraw/zinc/54/27/30/351542730.db2.gz HURHRFOSBQMSLR-XUJVJEKNSA-N 1 2 294.399 0.627 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(C)C(C)C)CC1 ZINC000190756466 351733362 /nfs/dbraw/zinc/73/33/62/351733362.db2.gz FYDYEZMDMCIURX-UHFFFAOYSA-N 1 2 294.399 0.204 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)N(C)C(C)C)CC1 ZINC000190756466 351733364 /nfs/dbraw/zinc/73/33/64/351733364.db2.gz FYDYEZMDMCIURX-UHFFFAOYSA-N 1 2 294.399 0.204 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2cc(C#N)ncn2)CCO1 ZINC000618686117 366076114 /nfs/dbraw/zinc/07/61/14/366076114.db2.gz BYIYBKHORDVOOF-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2cc(C#N)ncn2)CCO1 ZINC000618686117 366076120 /nfs/dbraw/zinc/07/61/20/366076120.db2.gz BYIYBKHORDVOOF-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cccnc1C#N ZINC000234299755 352156436 /nfs/dbraw/zinc/15/64/36/352156436.db2.gz QAJDAMNARVXOJY-UHFFFAOYSA-N 1 2 291.336 0.507 20 30 CCEDLO Cc1nc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000603399661 363111553 /nfs/dbraw/zinc/11/15/53/363111553.db2.gz HTSPWDZIOXPVSW-QWRGUYRKSA-N 1 2 289.387 0.669 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603934358 363173775 /nfs/dbraw/zinc/17/37/75/363173775.db2.gz APMDZXLKEFVAKL-LBPRGKRZSA-N 1 2 294.399 0.785 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603934358 363173779 /nfs/dbraw/zinc/17/37/79/363173779.db2.gz APMDZXLKEFVAKL-LBPRGKRZSA-N 1 2 294.399 0.785 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292091892 198160014 /nfs/dbraw/zinc/16/00/14/198160014.db2.gz FORHHQAJYIEYGJ-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292091892 198160015 /nfs/dbraw/zinc/16/00/15/198160015.db2.gz FORHHQAJYIEYGJ-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000265381660 352634364 /nfs/dbraw/zinc/63/43/64/352634364.db2.gz RBNVVAIQQKHFBK-ZDUSSCGKSA-N 1 2 285.351 0.306 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000266888434 352729940 /nfs/dbraw/zinc/72/99/40/352729940.db2.gz BWQATAQODOXNAY-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000266888434 352729942 /nfs/dbraw/zinc/72/99/42/352729942.db2.gz BWQATAQODOXNAY-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267272776 352756329 /nfs/dbraw/zinc/75/63/29/352756329.db2.gz VTEGOPCPFYVGLI-UHFFFAOYSA-N 1 2 267.373 0.751 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)OCC ZINC000271053550 353017497 /nfs/dbraw/zinc/01/74/97/353017497.db2.gz UFHDUZKRPCBTDW-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCCC[N@H+]1CCNC(=O)C1)OCC ZINC000271053550 353017499 /nfs/dbraw/zinc/01/74/99/353017499.db2.gz UFHDUZKRPCBTDW-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000270841977 352994349 /nfs/dbraw/zinc/99/43/49/352994349.db2.gz GCJVEIWSSMOMQM-GFCCVEGCSA-N 1 2 273.336 0.583 20 30 CCEDLO Cc1ccnc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C#N ZINC000273280862 353111888 /nfs/dbraw/zinc/11/18/88/353111888.db2.gz DJDFGPLOJPYFSI-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(C)C2=O)n1 ZINC000279739338 353312968 /nfs/dbraw/zinc/31/29/68/353312968.db2.gz ONWMOYAFPPQTKE-CYBMUJFWSA-N 1 2 260.341 0.569 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(C)C2=O)n1 ZINC000279739338 353312969 /nfs/dbraw/zinc/31/29/69/353312969.db2.gz ONWMOYAFPPQTKE-CYBMUJFWSA-N 1 2 260.341 0.569 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000282388937 353419210 /nfs/dbraw/zinc/41/92/10/353419210.db2.gz XIHVCEQRTOGXHE-NSHDSACASA-N 1 2 297.384 0.562 20 30 CCEDLO C[C@H](NC(=O)c1cc(C#N)ccn1)[C@H](C)[NH+]1CCOCC1 ZINC000283230949 353492351 /nfs/dbraw/zinc/49/23/51/353492351.db2.gz YWJPREAFGFFORM-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO Cn1cc(CN2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000284506586 353555983 /nfs/dbraw/zinc/55/59/83/353555983.db2.gz YALIIRGJICHFMC-HUUCEWRRSA-N 1 2 274.368 0.802 20 30 CCEDLO Cn1cc(CN2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000284506586 353555984 /nfs/dbraw/zinc/55/59/84/353555984.db2.gz YALIIRGJICHFMC-HUUCEWRRSA-N 1 2 274.368 0.802 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000289882181 353692189 /nfs/dbraw/zinc/69/21/89/353692189.db2.gz RUZGSJKJRSRBFX-UHFFFAOYSA-N 1 2 291.336 0.518 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C)CC1 ZINC000296072952 353930180 /nfs/dbraw/zinc/93/01/80/353930180.db2.gz WSPVJTBBLQQVFQ-ZDUSSCGKSA-N 1 2 289.383 0.812 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000329795792 354260346 /nfs/dbraw/zinc/26/03/46/354260346.db2.gz DGEGWSQPPOTSOW-HZSPNIEDSA-N 1 2 299.415 0.978 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000332228656 283010668 /nfs/dbraw/zinc/01/06/68/283010668.db2.gz LJUWVTGFHGVFFT-ZIAGYGMSSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000332228656 283010671 /nfs/dbraw/zinc/01/06/71/283010671.db2.gz LJUWVTGFHGVFFT-ZIAGYGMSSA-N 1 2 271.320 0.713 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330231652 354309894 /nfs/dbraw/zinc/30/98/94/354309894.db2.gz XAAHWCHPZXMGHY-ONGXEEELSA-N 1 2 272.370 0.757 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330231652 354309898 /nfs/dbraw/zinc/30/98/98/354309898.db2.gz XAAHWCHPZXMGHY-ONGXEEELSA-N 1 2 272.370 0.757 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329909306 354271238 /nfs/dbraw/zinc/27/12/38/354271238.db2.gz MKEHMSXNTVCTFD-VWYCJHECSA-N 1 2 264.329 0.567 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000330268846 354314541 /nfs/dbraw/zinc/31/45/41/354314541.db2.gz IXMPAFVMHLXDLU-GHMZBOCLSA-N 1 2 264.329 0.833 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)ccn1 ZINC000330443937 354360939 /nfs/dbraw/zinc/36/09/39/354360939.db2.gz FYIFHXVESSNQNJ-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335835727 355024078 /nfs/dbraw/zinc/02/40/78/355024078.db2.gz LAYOLUQKDKNWLD-UHFFFAOYSA-N 1 2 255.281 0.749 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000336815885 355190468 /nfs/dbraw/zinc/19/04/68/355190468.db2.gz JNEKQTMKECBXLM-UHFFFAOYSA-N 1 2 277.309 0.165 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343358126 355769243 /nfs/dbraw/zinc/76/92/43/355769243.db2.gz KYBIVLDTLYFJHA-JSGCOSHPSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343358126 355769244 /nfs/dbraw/zinc/76/92/44/355769244.db2.gz KYBIVLDTLYFJHA-JSGCOSHPSA-N 1 2 268.357 0.293 20 30 CCEDLO CC(C)C[C@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000608821528 363465524 /nfs/dbraw/zinc/46/55/24/363465524.db2.gz TXDAFNVRFZVSOP-GFCCVEGCSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)C[C@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000608821528 363465527 /nfs/dbraw/zinc/46/55/27/363465527.db2.gz TXDAFNVRFZVSOP-GFCCVEGCSA-N 1 2 282.388 0.497 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619472733 366264298 /nfs/dbraw/zinc/26/42/98/366264298.db2.gz UUVHENZNNBMXEK-UHFFFAOYSA-N 1 2 279.365 0.689 20 30 CCEDLO C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)n1cnc(C#N)n1 ZINC000619612016 366298982 /nfs/dbraw/zinc/29/89/82/366298982.db2.gz OBSJBUFWRSRDQH-JTQLQIEISA-N 1 2 298.306 0.396 20 30 CCEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC000609419759 363495189 /nfs/dbraw/zinc/49/51/89/363495189.db2.gz PXHLHMKYEQREFI-LBPRGKRZSA-N 1 2 273.340 0.604 20 30 CCEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC000609419759 363495192 /nfs/dbraw/zinc/49/51/92/363495192.db2.gz PXHLHMKYEQREFI-LBPRGKRZSA-N 1 2 273.340 0.604 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000609594401 363507589 /nfs/dbraw/zinc/50/75/89/363507589.db2.gz VJLQVDQCEFLJJI-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)COc1ccc(C#N)cc1 ZINC000355257600 356620629 /nfs/dbraw/zinc/62/06/29/356620629.db2.gz QRLNJVFJRXXVTK-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000609874912 363522863 /nfs/dbraw/zinc/52/28/63/363522863.db2.gz ROAPZOGRTBFHRQ-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000609874912 363522868 /nfs/dbraw/zinc/52/28/68/363522868.db2.gz ROAPZOGRTBFHRQ-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCCOCC)C1 ZINC000619719953 366339970 /nfs/dbraw/zinc/33/99/70/366339970.db2.gz OZJLNYIRVBGVDO-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCCOCC)C1 ZINC000619719953 366339977 /nfs/dbraw/zinc/33/99/77/366339977.db2.gz OZJLNYIRVBGVDO-NWDGAFQWSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000619715997 366332937 /nfs/dbraw/zinc/33/29/37/366332937.db2.gz GZFZRYDAMCMQSF-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000619718632 366338050 /nfs/dbraw/zinc/33/80/50/366338050.db2.gz RPKLAPNHSWPPDN-GFCCVEGCSA-N 1 2 284.356 0.331 20 30 CCEDLO CC#CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000361412005 357047289 /nfs/dbraw/zinc/04/72/89/357047289.db2.gz DOZYIRRLRPFLED-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000368100712 357320251 /nfs/dbraw/zinc/32/02/51/357320251.db2.gz QYIQDBGUVGOQHA-XJFOESAGSA-N 1 2 280.368 0.509 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000368100712 357320256 /nfs/dbraw/zinc/32/02/56/357320256.db2.gz QYIQDBGUVGOQHA-XJFOESAGSA-N 1 2 280.368 0.509 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2ccnc(C#N)n2)C1 ZINC000400767641 357795777 /nfs/dbraw/zinc/79/57/77/357795777.db2.gz KLJRJVRCGWRHMO-VIFPVBQESA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2ccnc(C#N)n2)C1 ZINC000400767641 357795779 /nfs/dbraw/zinc/79/57/79/357795779.db2.gz KLJRJVRCGWRHMO-VIFPVBQESA-N 1 2 250.327 0.771 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000294611148 199106611 /nfs/dbraw/zinc/10/66/11/199106611.db2.gz ODIFPJRDAWTAAT-DGCLKSJQSA-N 1 2 268.357 0.693 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000491672056 358296723 /nfs/dbraw/zinc/29/67/23/358296723.db2.gz GQZLYOCIMBMYCZ-UHFFFAOYSA-N 1 2 291.420 0.957 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000491672056 358296724 /nfs/dbraw/zinc/29/67/24/358296724.db2.gz GQZLYOCIMBMYCZ-UHFFFAOYSA-N 1 2 291.420 0.957 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCC(c3n[nH]c(=O)o3)CC2)C1=O ZINC000294883455 199230952 /nfs/dbraw/zinc/23/09/52/199230952.db2.gz AHQNWLDPYHQYCK-LLVKDONJSA-N 1 2 292.339 0.329 20 30 CCEDLO CC1(C)C[NH+](CC(=O)NC2(C#N)CCOCC2)C1 ZINC000574098502 359029902 /nfs/dbraw/zinc/02/99/02/359029902.db2.gz OFENHYJXLNLEGK-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1C[N@H+](C)CCO1 ZINC000610897272 363628603 /nfs/dbraw/zinc/62/86/03/363628603.db2.gz ALFIQFPKXWDQFA-AVGNSLFASA-N 1 2 250.346 0.739 20 30 CCEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000610897272 363628605 /nfs/dbraw/zinc/62/86/05/363628605.db2.gz ALFIQFPKXWDQFA-AVGNSLFASA-N 1 2 250.346 0.739 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000584764061 359201672 /nfs/dbraw/zinc/20/16/72/359201672.db2.gz BZAYZUGKEYTDQQ-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000584764061 359201676 /nfs/dbraw/zinc/20/16/76/359201676.db2.gz BZAYZUGKEYTDQQ-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610991854 363644287 /nfs/dbraw/zinc/64/42/87/363644287.db2.gz RACDXLBFOJSPTL-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610991854 363644289 /nfs/dbraw/zinc/64/42/89/363644289.db2.gz RACDXLBFOJSPTL-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccnc(C#N)c1 ZINC000610991963 363644349 /nfs/dbraw/zinc/64/43/49/363644349.db2.gz WMFWFQSOKZUFIN-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccnc(C#N)c1 ZINC000610991963 363644354 /nfs/dbraw/zinc/64/43/54/363644354.db2.gz WMFWFQSOKZUFIN-UHFFFAOYSA-N 1 2 274.324 0.244 20 30 CCEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000585702136 359264953 /nfs/dbraw/zinc/26/49/53/359264953.db2.gz FVERMQLKYKCRMM-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000589179382 359364492 /nfs/dbraw/zinc/36/44/92/359364492.db2.gz KUYKRIRSZOBLBV-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000589179382 359364497 /nfs/dbraw/zinc/36/44/97/359364497.db2.gz KUYKRIRSZOBLBV-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@H](NC(=O)c1cc(O)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589190841 359367283 /nfs/dbraw/zinc/36/72/83/359367283.db2.gz DIKDDPHYWACBEW-IINYFYTJSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H](NC(=O)c1cc(O)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589190841 359367290 /nfs/dbraw/zinc/36/72/90/359367290.db2.gz DIKDDPHYWACBEW-IINYFYTJSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589366007 359380254 /nfs/dbraw/zinc/38/02/54/359380254.db2.gz CZQUYBBTFCVRGJ-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589366007 359380257 /nfs/dbraw/zinc/38/02/57/359380257.db2.gz CZQUYBBTFCVRGJ-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000611029944 363651413 /nfs/dbraw/zinc/65/14/13/363651413.db2.gz MDVCMEIMQPPRPA-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000611029944 363651421 /nfs/dbraw/zinc/65/14/21/363651421.db2.gz MDVCMEIMQPPRPA-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C=C[C@H]([NH2+]CC1(COC)CCOCC1)C(=O)OC ZINC000589971106 359413569 /nfs/dbraw/zinc/41/35/69/359413569.db2.gz UFKLEWBWXPJFCX-NSHDSACASA-N 1 2 257.330 0.747 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000589984881 359414794 /nfs/dbraw/zinc/41/47/94/359414794.db2.gz HAUYTIBJNUUZBS-PHIMTYICSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000589984881 359414799 /nfs/dbraw/zinc/41/47/99/359414799.db2.gz HAUYTIBJNUUZBS-PHIMTYICSA-N 1 2 250.273 0.625 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CC1 ZINC000590154772 359427144 /nfs/dbraw/zinc/42/71/44/359427144.db2.gz XEGMGGVGDPICOK-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CC1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000590483666 359472828 /nfs/dbraw/zinc/47/28/28/359472828.db2.gz ATHFEBBRXUYNJD-UHFFFAOYSA-N 1 2 257.284 0.945 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000591060402 359550929 /nfs/dbraw/zinc/55/09/29/359550929.db2.gz UMAUWLIABZSPMC-VHSXEESVSA-N 1 2 273.354 0.552 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000591060402 359550932 /nfs/dbraw/zinc/55/09/32/359550932.db2.gz UMAUWLIABZSPMC-VHSXEESVSA-N 1 2 273.354 0.552 20 30 CCEDLO C=C[C@H]([NH2+]C[C@H]1CC(=O)N(CCC)C1)C(=O)OC ZINC000591495693 359598191 /nfs/dbraw/zinc/59/81/91/359598191.db2.gz LNCRDYOIVNGHCZ-MNOVXSKESA-N 1 2 254.330 0.562 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1noc2c1CCCC2 ZINC000591767292 359656541 /nfs/dbraw/zinc/65/65/41/359656541.db2.gz GPSXENOFMFUTOV-LBPRGKRZSA-N 1 2 292.383 0.849 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1noc2c1CCCC2 ZINC000591767292 359656547 /nfs/dbraw/zinc/65/65/47/359656547.db2.gz GPSXENOFMFUTOV-LBPRGKRZSA-N 1 2 292.383 0.849 20 30 CCEDLO Cc1cc(N2CC[C@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591824915 359662607 /nfs/dbraw/zinc/66/26/07/359662607.db2.gz NKNKXUSAPXQZPZ-NSHDSACASA-N 1 2 265.338 0.885 20 30 CCEDLO C[C@@H](O)CNc1cc(N2CC[C@@](O)(CC#N)C2)nc[nH+]1 ZINC000591976956 359717817 /nfs/dbraw/zinc/71/78/17/359717817.db2.gz YJQQZAJLHKIZDE-MFKMUULPSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@@H](O)CNc1cc(N2CC[C@@](O)(CC#N)C2)[nH+]cn1 ZINC000591976956 359717822 /nfs/dbraw/zinc/71/78/22/359717822.db2.gz YJQQZAJLHKIZDE-MFKMUULPSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@H](O)CNc1cc(N2CC[C@](O)(CC#N)C2)nc[nH+]1 ZINC000591976951 359717829 /nfs/dbraw/zinc/71/78/29/359717829.db2.gz YJQQZAJLHKIZDE-GXFFZTMASA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@H](O)CNc1cc(N2CC[C@](O)(CC#N)C2)[nH+]cn1 ZINC000591976951 359717832 /nfs/dbraw/zinc/71/78/32/359717832.db2.gz YJQQZAJLHKIZDE-GXFFZTMASA-N 1 2 277.328 0.124 20 30 CCEDLO COC(=O)C[C@@]1([NH2+]Cc2ccncc2C#N)CCOC1 ZINC000592102205 359756570 /nfs/dbraw/zinc/75/65/70/359756570.db2.gz FNYUQYVDYRHKCZ-AWEZNQCLSA-N 1 2 275.308 0.765 20 30 CCEDLO COCC[N@@H+](CCC#N)CCNC(=O)NC(C)C ZINC000592072196 359746492 /nfs/dbraw/zinc/74/64/92/359746492.db2.gz ZEKXDJUHVOTFGH-UHFFFAOYSA-N 1 2 256.350 0.556 20 30 CCEDLO COCC[N@H+](CCC#N)CCNC(=O)NC(C)C ZINC000592072196 359746499 /nfs/dbraw/zinc/74/64/99/359746499.db2.gz ZEKXDJUHVOTFGH-UHFFFAOYSA-N 1 2 256.350 0.556 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000592151890 359770006 /nfs/dbraw/zinc/77/00/06/359770006.db2.gz RYYKSJBOAKUOJA-ZDUSSCGKSA-N 1 2 251.330 0.253 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000592151890 359770009 /nfs/dbraw/zinc/77/00/09/359770009.db2.gz RYYKSJBOAKUOJA-ZDUSSCGKSA-N 1 2 251.330 0.253 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000592257634 359806101 /nfs/dbraw/zinc/80/61/01/359806101.db2.gz YVUVSNFSSFEMJO-WDEREUQCSA-N 1 2 259.313 0.277 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175888 363672728 /nfs/dbraw/zinc/67/27/28/363672728.db2.gz OQIRNVSAPPGYIO-GFCCVEGCSA-N 1 2 295.387 0.140 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000592848427 359953472 /nfs/dbraw/zinc/95/34/72/359953472.db2.gz WTWNRLDOJVFRJG-CQSZACIVSA-N 1 2 293.367 0.118 20 30 CCEDLO CCc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000593154789 360048701 /nfs/dbraw/zinc/04/87/01/360048701.db2.gz DTFDQXZWUXNROV-LBPRGKRZSA-N 1 2 250.302 0.811 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000593074999 360028658 /nfs/dbraw/zinc/02/86/58/360028658.db2.gz JINDHGJDLZNHLM-NXEZZACHSA-N 1 2 253.327 0.596 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000593074999 360028665 /nfs/dbraw/zinc/02/86/65/360028665.db2.gz JINDHGJDLZNHLM-NXEZZACHSA-N 1 2 253.327 0.596 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000593530956 360108048 /nfs/dbraw/zinc/10/80/48/360108048.db2.gz PQAVPOPYNXPEIW-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[C@H](C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000593700558 360136997 /nfs/dbraw/zinc/13/69/97/360136997.db2.gz VILKNPSAVWWJAD-XQQFMLRXSA-N 1 2 265.357 0.858 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000593885873 360194873 /nfs/dbraw/zinc/19/48/73/360194873.db2.gz DGUZNYUUPIMXDM-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[nH]c1C#N ZINC000593922666 360217313 /nfs/dbraw/zinc/21/73/13/360217313.db2.gz DRLCTVRWLQCYIM-JGVFFNPUSA-N 1 2 258.285 0.609 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)OC(C)(C)C)nn1 ZINC000594648448 360347996 /nfs/dbraw/zinc/34/79/96/360347996.db2.gz FWTIESAVBNGLHH-UHFFFAOYSA-N 1 2 264.329 0.733 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000595295755 360485651 /nfs/dbraw/zinc/48/56/51/360485651.db2.gz RATQXLIQASPCTR-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN2CC[C@@](O)(CC#N)C2)C[C@H](C)O1 ZINC000595558045 360579506 /nfs/dbraw/zinc/57/95/06/360579506.db2.gz NJBYTPVNYQZJFZ-MJBXVCDLSA-N 1 2 267.373 0.446 20 30 CCEDLO C[C@@H]1C[N@H+](CCN2CC[C@@](O)(CC#N)C2)C[C@H](C)O1 ZINC000595558045 360579512 /nfs/dbraw/zinc/57/95/12/360579512.db2.gz NJBYTPVNYQZJFZ-MJBXVCDLSA-N 1 2 267.373 0.446 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629741 360602205 /nfs/dbraw/zinc/60/22/05/360602205.db2.gz JRELXINALCCHDY-UHFFFAOYSA-N 1 2 278.381 0.830 20 30 CCEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752400 360638878 /nfs/dbraw/zinc/63/88/78/360638878.db2.gz LDDFHGVALIAXMI-GRYCIOLGSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752400 360638880 /nfs/dbraw/zinc/63/88/80/360638880.db2.gz LDDFHGVALIAXMI-GRYCIOLGSA-N 1 2 271.386 0.644 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@]2(COC)C(=O)OC)C1=O ZINC000595804841 360660976 /nfs/dbraw/zinc/66/09/76/360660976.db2.gz HVMBIFUSCOCGSH-SWLSCSKDSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@]2(COC)C(=O)OC)C1=O ZINC000595804841 360660978 /nfs/dbraw/zinc/66/09/78/360660978.db2.gz HVMBIFUSCOCGSH-SWLSCSKDSA-N 1 2 296.367 0.427 20 30 CCEDLO C[C@]1(C#N)CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000595839817 360675807 /nfs/dbraw/zinc/67/58/07/360675807.db2.gz LWEXXYAFIBEYKE-CQSZACIVSA-N 1 2 271.324 0.732 20 30 CCEDLO C[C@]1(C#N)CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000595839817 360675808 /nfs/dbraw/zinc/67/58/08/360675808.db2.gz LWEXXYAFIBEYKE-CQSZACIVSA-N 1 2 271.324 0.732 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1C ZINC000596232663 360846228 /nfs/dbraw/zinc/84/62/28/360846228.db2.gz RHCLIBHOTJWGFN-WCQYABFASA-N 1 2 275.356 0.591 20 30 CCEDLO C[C@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596549740 360918717 /nfs/dbraw/zinc/91/87/17/360918717.db2.gz KEZSZAOYAXPSGT-GHMZBOCLSA-N 1 2 293.371 0.939 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000180254963 189246838 /nfs/dbraw/zinc/24/68/38/189246838.db2.gz PCCXLTMEACIGHW-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000180254963 189246839 /nfs/dbraw/zinc/24/68/39/189246839.db2.gz PCCXLTMEACIGHW-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C#N)[C@@H](C)CO1 ZINC000597999940 361306293 /nfs/dbraw/zinc/30/62/93/361306293.db2.gz TUOQKHDVOZJQTF-WDEREUQCSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C#N)[C@@H](C)CO1 ZINC000597999940 361306294 /nfs/dbraw/zinc/30/62/94/361306294.db2.gz TUOQKHDVOZJQTF-WDEREUQCSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000598001209 361307284 /nfs/dbraw/zinc/30/72/84/361307284.db2.gz XOLQSIWAENFHFQ-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000598001209 361307291 /nfs/dbraw/zinc/30/72/91/361307291.db2.gz XOLQSIWAENFHFQ-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO CN(C)[C@@H](C(=O)N1CC[C@](C)(C#N)C1)c1c[nH+]cn1C ZINC000598419381 361409479 /nfs/dbraw/zinc/40/94/79/361409479.db2.gz ZQMOUHXDLHPBGV-TZMCWYRMSA-N 1 2 275.356 0.785 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598607911 361458210 /nfs/dbraw/zinc/45/82/10/361458210.db2.gz OEQJWTUZABRBEB-UTUOFQBUSA-N 1 2 284.356 0.285 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598607911 361458211 /nfs/dbraw/zinc/45/82/11/361458211.db2.gz OEQJWTUZABRBEB-UTUOFQBUSA-N 1 2 284.356 0.285 20 30 CCEDLO N#Cc1ccccc1OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944147 361536263 /nfs/dbraw/zinc/53/62/63/361536263.db2.gz XRBMHAKVDJNBIR-LBPRGKRZSA-N 1 2 282.303 0.875 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599258030 361622530 /nfs/dbraw/zinc/62/25/30/361622530.db2.gz DLJNBBYRTUNWAE-LBPRGKRZSA-N 1 2 278.308 0.403 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599258030 361622533 /nfs/dbraw/zinc/62/25/33/361622533.db2.gz DLJNBBYRTUNWAE-LBPRGKRZSA-N 1 2 278.308 0.403 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000599335708 361658003 /nfs/dbraw/zinc/65/80/03/361658003.db2.gz AUIMQUMZFUPQIV-ZIAGYGMSSA-N 1 2 297.399 0.466 20 30 CCEDLO N#Cc1cnccc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439629 361704354 /nfs/dbraw/zinc/70/43/54/361704354.db2.gz ZDJOYZLRTJOQBP-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO Cc1cn2c([nH+]1)CN(C(=O)Cc1noc(C)c1C#N)CC2 ZINC000611894825 363804073 /nfs/dbraw/zinc/80/40/73/363804073.db2.gz OGDDRFPUCYBJGM-UHFFFAOYSA-N 1 2 285.307 0.945 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000612855112 364022923 /nfs/dbraw/zinc/02/29/23/364022923.db2.gz QGUIMZXVIYXLRI-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000614366574 364586426 /nfs/dbraw/zinc/58/64/26/364586426.db2.gz JNOAZRBLGGYSCJ-MNOVXSKESA-N 1 2 260.297 0.196 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000614418999 364599789 /nfs/dbraw/zinc/59/97/89/364599789.db2.gz PKHDZBBWSCUNLL-JSGCOSHPSA-N 1 2 288.355 0.333 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000614418999 364599796 /nfs/dbraw/zinc/59/97/96/364599796.db2.gz PKHDZBBWSCUNLL-JSGCOSHPSA-N 1 2 288.355 0.333 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)OCC ZINC000614503007 364632819 /nfs/dbraw/zinc/63/28/19/364632819.db2.gz MUTRUJSHFAHRHU-CABCVRRESA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)OCC ZINC000614503007 364632821 /nfs/dbraw/zinc/63/28/21/364632821.db2.gz MUTRUJSHFAHRHU-CABCVRRESA-N 1 2 295.427 0.864 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920395 364782773 /nfs/dbraw/zinc/78/27/73/364782773.db2.gz HYTGYASZRNFKDW-CYBMUJFWSA-N 1 2 296.415 0.135 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920395 364782781 /nfs/dbraw/zinc/78/27/81/364782781.db2.gz HYTGYASZRNFKDW-CYBMUJFWSA-N 1 2 296.415 0.135 20 30 CCEDLO C[C@@H](C(=O)N1CC[C@](F)(C#N)C1)[NH+]1CCSCC1 ZINC000615664400 365043420 /nfs/dbraw/zinc/04/34/20/365043420.db2.gz KMSHYSCJHNPCKZ-JQWIXIFHSA-N 1 2 271.361 0.888 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255233 367491876 /nfs/dbraw/zinc/49/18/76/367491876.db2.gz WMQJFXYKKWLGCQ-YPMHNXCESA-N 1 2 276.340 0.395 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624728819 367968780 /nfs/dbraw/zinc/96/87/80/367968780.db2.gz BFDYWNGVTYTTIP-QWHCGFSZSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624728819 367968782 /nfs/dbraw/zinc/96/87/82/367968782.db2.gz BFDYWNGVTYTTIP-QWHCGFSZSA-N 1 2 267.373 0.925 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)ncn1 ZINC000566716149 291433024 /nfs/dbraw/zinc/43/30/24/291433024.db2.gz YBMPIEGJHKYQJC-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000576582213 335221781 /nfs/dbraw/zinc/22/17/81/335221781.db2.gz VBFFCGDEDMQCPX-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000576582213 335221782 /nfs/dbraw/zinc/22/17/82/335221782.db2.gz VBFFCGDEDMQCPX-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627977189 369153126 /nfs/dbraw/zinc/15/31/26/369153126.db2.gz JLLNTWPRFOQPTH-STQMWFEESA-N 1 2 275.352 0.644 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628125969 369187159 /nfs/dbraw/zinc/18/71/59/369187159.db2.gz WMVNDRUQPYFZDF-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@]1(CO)CCOC1 ZINC000330823365 203280211 /nfs/dbraw/zinc/28/02/11/203280211.db2.gz UZVSHKNFSPIXOD-CYBMUJFWSA-N 1 2 295.364 0.641 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@]1(CO)CCOC1 ZINC000330823365 203280213 /nfs/dbraw/zinc/28/02/13/203280213.db2.gz UZVSHKNFSPIXOD-CYBMUJFWSA-N 1 2 295.364 0.641 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000490830996 261219649 /nfs/dbraw/zinc/21/96/49/261219649.db2.gz OQOLNRXLZVZIQK-CQSZACIVSA-N 1 2 259.353 0.953 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000490830996 261219651 /nfs/dbraw/zinc/21/96/51/261219651.db2.gz OQOLNRXLZVZIQK-CQSZACIVSA-N 1 2 259.353 0.953 20 30 CCEDLO C#CC[N@@H+](CCc1ccnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491047413 261310933 /nfs/dbraw/zinc/31/09/33/261310933.db2.gz UNBFKPMWWUDCCR-CYBMUJFWSA-N 1 2 281.381 0.085 20 30 CCEDLO C#CC[N@H+](CCc1ccnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491047413 261310934 /nfs/dbraw/zinc/31/09/34/261310934.db2.gz UNBFKPMWWUDCCR-CYBMUJFWSA-N 1 2 281.381 0.085 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637439710 374150368 /nfs/dbraw/zinc/15/03/68/374150368.db2.gz AJXMCYNVZSYNOQ-GFCCVEGCSA-N 1 2 271.361 0.161 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637439710 374150375 /nfs/dbraw/zinc/15/03/75/374150375.db2.gz AJXMCYNVZSYNOQ-GFCCVEGCSA-N 1 2 271.361 0.161 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)ns2)CC1 ZINC000637880656 374445026 /nfs/dbraw/zinc/44/50/26/374445026.db2.gz TWZFJEFCQOJMHU-UHFFFAOYSA-N 1 2 294.424 0.871 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639736833 375963378 /nfs/dbraw/zinc/96/33/78/375963378.db2.gz ABIARGSJSYUSBS-LLVKDONJSA-N 1 2 264.316 0.169 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000639773186 376004642 /nfs/dbraw/zinc/00/46/42/376004642.db2.gz DJASBKQBJDAEMU-GFCCVEGCSA-N 1 2 280.372 0.372 20 30 CCEDLO C=CCCn1cc(Cn2cc(Cn3cc[nH+]c3)nn2)nn1 ZINC000641183558 376855305 /nfs/dbraw/zinc/85/53/05/376855305.db2.gz ZERYYFYUUJSAOK-UHFFFAOYSA-N 1 2 284.327 0.739 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCc3ncnn32)nn1 ZINC000641186142 376861889 /nfs/dbraw/zinc/86/18/89/376861889.db2.gz FLKYBJNMQZDWCR-LBPRGKRZSA-N 1 2 271.328 0.170 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2n[nH]c(CC)n2)nn1 ZINC000641208100 376882161 /nfs/dbraw/zinc/88/21/61/376882161.db2.gz SMXVFANCVQUGDJ-SNVBAGLBSA-N 1 2 273.344 0.681 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(CC)[nH]2)nn1 ZINC000641208100 376882166 /nfs/dbraw/zinc/88/21/66/376882166.db2.gz SMXVFANCVQUGDJ-SNVBAGLBSA-N 1 2 273.344 0.681 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](OC(F)F)C2)CCC1 ZINC000574739485 335043569 /nfs/dbraw/zinc/04/35/69/335043569.db2.gz GMWIJCUBFFTUGA-VIFPVBQESA-N 1 2 273.283 0.862 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)CCC1 ZINC000574739485 335043570 /nfs/dbraw/zinc/04/35/70/335043570.db2.gz GMWIJCUBFFTUGA-VIFPVBQESA-N 1 2 273.283 0.862 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)nn1 ZINC000657367337 412975606 /nfs/dbraw/zinc/97/56/06/412975606.db2.gz QTNYTKKHCQUPCE-NSHDSACASA-N 1 2 284.385 0.521 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(C)C2=O)nn1 ZINC000657387244 412977517 /nfs/dbraw/zinc/97/75/17/412977517.db2.gz NKSYBMLBSIHDLO-GFCCVEGCSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)nn1 ZINC000657448623 412993265 /nfs/dbraw/zinc/99/32/65/412993265.db2.gz UAFJJRXKMSQEJC-SECBINFHSA-N 1 2 264.251 0.867 20 30 CCEDLO CC1(C(N)=O)C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000574877364 335054327 /nfs/dbraw/zinc/05/43/27/335054327.db2.gz HMVWMSFFQXSTAA-UHFFFAOYSA-N 1 2 269.308 0.513 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185189567 388792403 /nfs/dbraw/zinc/79/24/03/388792403.db2.gz IGGIMXAXSVIAMF-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185189567 388792407 /nfs/dbraw/zinc/79/24/07/388792407.db2.gz IGGIMXAXSVIAMF-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282961674 388759420 /nfs/dbraw/zinc/75/94/20/388759420.db2.gz ZSHUETHAUYYGCU-NSHDSACASA-N 1 2 271.386 0.980 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC(C)C)CC1 ZINC000282969157 388760386 /nfs/dbraw/zinc/76/03/86/388760386.db2.gz ILPFPSJCLOZJFE-UHFFFAOYSA-N 1 2 261.373 0.998 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCOC2)CC1 ZINC000283496421 388766422 /nfs/dbraw/zinc/76/64/22/388766422.db2.gz VAUMASKFVAQTGX-AWEZNQCLSA-N 1 2 289.383 0.378 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283809038 388769326 /nfs/dbraw/zinc/76/93/26/388769326.db2.gz ISGUKANSMUWSNI-GFCCVEGCSA-N 1 2 294.355 0.097 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000284667755 388781688 /nfs/dbraw/zinc/78/16/88/388781688.db2.gz MGUWCDGHQTXHNG-CHWSQXEVSA-N 1 2 274.324 0.431 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000284667755 388781691 /nfs/dbraw/zinc/78/16/91/388781691.db2.gz MGUWCDGHQTXHNG-CHWSQXEVSA-N 1 2 274.324 0.431 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000186313458 388831374 /nfs/dbraw/zinc/83/13/74/388831374.db2.gz IOGICFKRYJEWDD-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO C[C@@]1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCOC1=O ZINC000289572487 388873743 /nfs/dbraw/zinc/87/37/43/388873743.db2.gz OMWCHJNOCWPOSX-SWLSCSKDSA-N 1 2 290.319 0.593 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000044300219 388870686 /nfs/dbraw/zinc/87/06/86/388870686.db2.gz SIJOQXDCEFTTQR-UHFFFAOYSA-N 1 2 251.330 0.207 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187444016 388882477 /nfs/dbraw/zinc/88/24/77/388882477.db2.gz FHGSGNAIYBCGBR-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187444016 388882482 /nfs/dbraw/zinc/88/24/82/388882482.db2.gz FHGSGNAIYBCGBR-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000289775246 388890836 /nfs/dbraw/zinc/89/08/36/388890836.db2.gz LNKSPXAKUWMYPH-VIFPVBQESA-N 1 2 283.353 0.233 20 30 CCEDLO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000289775246 388890839 /nfs/dbraw/zinc/89/08/39/388890839.db2.gz LNKSPXAKUWMYPH-VIFPVBQESA-N 1 2 283.353 0.233 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177329 388917027 /nfs/dbraw/zinc/91/70/27/388917027.db2.gz QRUBYLRLXDCQFE-JTQLQIEISA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177329 388917030 /nfs/dbraw/zinc/91/70/30/388917030.db2.gz QRUBYLRLXDCQFE-JTQLQIEISA-N 1 2 269.345 0.498 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000291364825 388920888 /nfs/dbraw/zinc/92/08/88/388920888.db2.gz USVLHFWHZLZXNR-JTQLQIEISA-N 1 2 264.329 0.566 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH+](CCO)CCO)cc1Cl ZINC000049753552 388923683 /nfs/dbraw/zinc/92/36/83/388923683.db2.gz VTSMXTUVNCBQJX-UHFFFAOYSA-N 1 2 297.742 0.437 20 30 CCEDLO C#CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000075814639 388984167 /nfs/dbraw/zinc/98/41/67/388984167.db2.gz IWKPNNMELLPSGF-ZDUSSCGKSA-N 1 2 283.397 0.127 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC000354186354 389015684 /nfs/dbraw/zinc/01/56/84/389015684.db2.gz GTVYJQPTFAAIEH-JTQLQIEISA-N 1 2 259.313 0.593 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000298453195 389021812 /nfs/dbraw/zinc/02/18/12/389021812.db2.gz YFEKZQUOMYBNRX-LLVKDONJSA-N 1 2 292.339 0.652 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000298453195 389021817 /nfs/dbraw/zinc/02/18/17/389021817.db2.gz YFEKZQUOMYBNRX-LLVKDONJSA-N 1 2 292.339 0.652 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C(C)(C)C(=O)OC)C1=O ZINC000337166688 389048950 /nfs/dbraw/zinc/04/89/50/389048950.db2.gz ZZJNQANLUNLIHG-JTQLQIEISA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C(C)(C)C(=O)OC)C1=O ZINC000337166688 389048954 /nfs/dbraw/zinc/04/89/54/389048954.db2.gz ZZJNQANLUNLIHG-JTQLQIEISA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@](=O)CC[C@H]2C)C1=O ZINC000337220311 389056115 /nfs/dbraw/zinc/05/61/15/389056115.db2.gz BYCDKMQRFUVDLV-FTLABTOESA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@](=O)CC[C@H]2C)C1=O ZINC000337220311 389056119 /nfs/dbraw/zinc/05/61/19/389056119.db2.gz BYCDKMQRFUVDLV-FTLABTOESA-N 1 2 270.398 0.616 20 30 CCEDLO C=CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000337663716 389065686 /nfs/dbraw/zinc/06/56/86/389065686.db2.gz REAZEHMAYKHXSL-CYBMUJFWSA-N 1 2 285.413 0.680 20 30 CCEDLO C=CCn1c(C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337816338 389069848 /nfs/dbraw/zinc/06/98/48/389069848.db2.gz OORPNRRGNLWKET-ZDUSSCGKSA-N 1 2 277.372 0.683 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000302912402 389080571 /nfs/dbraw/zinc/08/05/71/389080571.db2.gz QCIWHGKSLZWGRZ-IUODEOHRSA-N 1 2 292.383 0.347 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000302912402 389080573 /nfs/dbraw/zinc/08/05/73/389080573.db2.gz QCIWHGKSLZWGRZ-IUODEOHRSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000305078284 389083753 /nfs/dbraw/zinc/08/37/53/389083753.db2.gz WGPCJVMQJDWYCH-AAVRWANBSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000305078284 389083757 /nfs/dbraw/zinc/08/37/57/389083757.db2.gz WGPCJVMQJDWYCH-AAVRWANBSA-N 1 2 269.389 0.690 20 30 CCEDLO CN1C[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000328927920 389145592 /nfs/dbraw/zinc/14/55/92/389145592.db2.gz GEDRPEIVFSSRIT-BDAKNGLRSA-N 1 2 262.313 0.702 20 30 CCEDLO CN1C[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000328927920 389145594 /nfs/dbraw/zinc/14/55/94/389145594.db2.gz GEDRPEIVFSSRIT-BDAKNGLRSA-N 1 2 262.313 0.702 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000111209705 389102845 /nfs/dbraw/zinc/10/28/45/389102845.db2.gz ZNSSURCNLGXADW-UHFFFAOYSA-N 1 2 267.329 0.243 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[nH]n1CCC#N ZINC000328989352 389148129 /nfs/dbraw/zinc/14/81/29/389148129.db2.gz HUIAJFKXYDDCAE-GFCCVEGCSA-N 1 2 298.350 0.925 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587655 389112988 /nfs/dbraw/zinc/11/29/88/389112988.db2.gz KTRCGOPXYADHGF-ZYHUDNBSSA-N 1 2 269.320 0.344 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587655 389112992 /nfs/dbraw/zinc/11/29/92/389112992.db2.gz KTRCGOPXYADHGF-ZYHUDNBSSA-N 1 2 269.320 0.344 20 30 CCEDLO C=CCOCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000339010922 389121282 /nfs/dbraw/zinc/12/12/82/389121282.db2.gz NDRHZCJOPQCRMM-UHFFFAOYSA-N 1 2 267.373 0.737 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](C)[NH+]1C ZINC000339071250 389124017 /nfs/dbraw/zinc/12/40/17/389124017.db2.gz CAVHLMUHHNSFFR-GHMZBOCLSA-N 1 2 259.375 0.644 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339155698 389126672 /nfs/dbraw/zinc/12/66/72/389126672.db2.gz CYUWHJKOFHBEJL-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339155698 389126676 /nfs/dbraw/zinc/12/66/76/389126676.db2.gz CYUWHJKOFHBEJL-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+]C[C@H]1COCCO1 ZINC000328696730 389132329 /nfs/dbraw/zinc/13/23/29/389132329.db2.gz UJMPUMHGIIRLKH-YPMHNXCESA-N 1 2 296.371 0.747 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])NC[C@H]1COCCO1 ZINC000328696730 389132334 /nfs/dbraw/zinc/13/23/34/389132334.db2.gz UJMPUMHGIIRLKH-YPMHNXCESA-N 1 2 296.371 0.747 20 30 CCEDLO Cn1cnc2c(c1=O)CC[N@H+](CC(=O)NCC1CC1)C2 ZINC000328801789 389139194 /nfs/dbraw/zinc/13/91/94/389139194.db2.gz ALHXPEAECMRXRC-UHFFFAOYSA-N 1 2 276.340 0.505 20 30 CCEDLO Cn1cnc2c(c1=O)CC[N@@H+](CC(=O)NCC1CC1)C2 ZINC000328801789 389139196 /nfs/dbraw/zinc/13/91/96/389139196.db2.gz ALHXPEAECMRXRC-UHFFFAOYSA-N 1 2 276.340 0.505 20 30 CCEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC(=O)NC1CC1 ZINC000329071732 389149819 /nfs/dbraw/zinc/14/98/19/389149819.db2.gz NWHYDMRGQHDKPR-CQSZACIVSA-N 1 2 297.355 0.901 20 30 CCEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC(=O)NC1CC1 ZINC000329071732 389149820 /nfs/dbraw/zinc/14/98/20/389149820.db2.gz NWHYDMRGQHDKPR-CQSZACIVSA-N 1 2 297.355 0.901 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000328824227 389139770 /nfs/dbraw/zinc/13/97/70/389139770.db2.gz GYPBJMVOOXDZFC-UPJWGTAASA-N 1 2 283.372 0.388 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000328824227 389139771 /nfs/dbraw/zinc/13/97/71/389139771.db2.gz GYPBJMVOOXDZFC-UPJWGTAASA-N 1 2 283.372 0.388 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@H](CCCC)C2=O)CC1 ZINC000129150104 389183224 /nfs/dbraw/zinc/18/32/24/389183224.db2.gz RNSORELREHLVFR-ZDUSSCGKSA-N 1 2 292.383 0.305 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129802656 389193841 /nfs/dbraw/zinc/19/38/41/389193841.db2.gz MGDJFEVADLWPQH-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129802656 389193843 /nfs/dbraw/zinc/19/38/43/389193843.db2.gz MGDJFEVADLWPQH-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329733589 389194363 /nfs/dbraw/zinc/19/43/63/389194363.db2.gz JSPUNHRECFXPPL-DCAQKATOSA-N 1 2 294.355 0.263 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329733589 389194366 /nfs/dbraw/zinc/19/43/66/389194366.db2.gz JSPUNHRECFXPPL-DCAQKATOSA-N 1 2 294.355 0.263 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000130277181 389202640 /nfs/dbraw/zinc/20/26/40/389202640.db2.gz MZAIZLRHJMLJFY-JTQLQIEISA-N 1 2 295.289 0.897 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000130277181 389202641 /nfs/dbraw/zinc/20/26/41/389202641.db2.gz MZAIZLRHJMLJFY-JTQLQIEISA-N 1 2 295.289 0.897 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)nc2)CC1 ZINC000123230898 389155245 /nfs/dbraw/zinc/15/52/45/389155245.db2.gz CQGIIBIFWBJFKH-UHFFFAOYSA-N 1 2 293.754 0.891 20 30 CCEDLO Cc1cnn(CCC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000329346446 389158570 /nfs/dbraw/zinc/15/85/70/389158570.db2.gz CZTRHGXVMLGLKN-ZDUSSCGKSA-N 1 2 279.388 0.784 20 30 CCEDLO Cc1cnn(CCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000329346446 389158573 /nfs/dbraw/zinc/15/85/73/389158573.db2.gz CZTRHGXVMLGLKN-ZDUSSCGKSA-N 1 2 279.388 0.784 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cnc21 ZINC000329411480 389162501 /nfs/dbraw/zinc/16/25/01/389162501.db2.gz DVWKWPNVTCOKHX-SECBINFHSA-N 1 2 297.322 0.949 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cnc21 ZINC000329411480 389162504 /nfs/dbraw/zinc/16/25/04/389162504.db2.gz DVWKWPNVTCOKHX-SECBINFHSA-N 1 2 297.322 0.949 20 30 CCEDLO C=CCSCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358980667 389164147 /nfs/dbraw/zinc/16/41/47/389164147.db2.gz LVFARRNOWBPGGS-SNVBAGLBSA-N 1 2 280.353 0.792 20 30 CCEDLO C=CCSCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358980667 389164149 /nfs/dbraw/zinc/16/41/49/389164149.db2.gz LVFARRNOWBPGGS-SNVBAGLBSA-N 1 2 280.353 0.792 20 30 CCEDLO C=CCNC(=O)CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358988621 389164744 /nfs/dbraw/zinc/16/47/44/389164744.db2.gz LYIVPAJEWDDITR-CYBMUJFWSA-N 1 2 271.324 0.786 20 30 CCEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](CCC#N)CC[C@@H]21 ZINC000330571663 389242469 /nfs/dbraw/zinc/24/24/69/389242469.db2.gz YLBGXNNEKDAOPO-MNOVXSKESA-N 1 2 252.318 0.219 20 30 CCEDLO COCCN1C(=O)N[C@@H]2C[N@H+](CCC#N)CC[C@@H]21 ZINC000330571663 389242471 /nfs/dbraw/zinc/24/24/71/389242471.db2.gz YLBGXNNEKDAOPO-MNOVXSKESA-N 1 2 252.318 0.219 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000330589305 389244068 /nfs/dbraw/zinc/24/40/68/389244068.db2.gz WOHYPGYKJRWXFF-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000330589305 389244071 /nfs/dbraw/zinc/24/40/71/389244071.db2.gz WOHYPGYKJRWXFF-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@@H](O)C(F)(F)F ZINC000330589329 389244140 /nfs/dbraw/zinc/24/41/40/389244140.db2.gz WPWBSIUXSISXMD-ZCFIWIBFSA-N 1 2 266.223 0.347 20 30 CCEDLO C[C@@H]1CCCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)C1 ZINC000330625314 389248135 /nfs/dbraw/zinc/24/81/35/389248135.db2.gz SWOJVVTYOOJWRU-GFCCVEGCSA-N 1 2 284.404 0.652 20 30 CCEDLO C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)C1 ZINC000330625314 389248137 /nfs/dbraw/zinc/24/81/37/389248137.db2.gz SWOJVVTYOOJWRU-GFCCVEGCSA-N 1 2 284.404 0.652 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363490477 389250281 /nfs/dbraw/zinc/25/02/81/389250281.db2.gz OVVPYMPTPKAABV-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000363490477 389250284 /nfs/dbraw/zinc/25/02/84/389250284.db2.gz OVVPYMPTPKAABV-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COCC1CC1 ZINC000343039068 389256643 /nfs/dbraw/zinc/25/66/43/389256643.db2.gz FOAHPPCCLWYQEC-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329909305 389210362 /nfs/dbraw/zinc/21/03/62/389210362.db2.gz MKEHMSXNTVCTFD-MXWKQRLJSA-N 1 2 264.329 0.567 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(O)CCCC2)C1 ZINC000329940570 389213808 /nfs/dbraw/zinc/21/38/08/389213808.db2.gz GGGBDCHYYSFEAT-LBPRGKRZSA-N 1 2 269.389 0.884 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(O)CCCC2)C1 ZINC000329940570 389213810 /nfs/dbraw/zinc/21/38/10/389213810.db2.gz GGGBDCHYYSFEAT-LBPRGKRZSA-N 1 2 269.389 0.884 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246462702 389228917 /nfs/dbraw/zinc/22/89/17/389228917.db2.gz JFXWAYJJYBUCKB-FRRDWIJNSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246462702 389228921 /nfs/dbraw/zinc/22/89/21/389228921.db2.gz JFXWAYJJYBUCKB-FRRDWIJNSA-N 1 2 268.357 0.557 20 30 CCEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000330443341 389230474 /nfs/dbraw/zinc/23/04/74/389230474.db2.gz FTFQHWKHUZKUPX-ZDUSSCGKSA-N 1 2 279.340 0.388 20 30 CCEDLO CC(=O)NC[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330473266 389234073 /nfs/dbraw/zinc/23/40/73/389234073.db2.gz GFKLSZBCFBQVMQ-ZDUSSCGKSA-N 1 2 293.371 0.645 20 30 CCEDLO CC(=O)NC[C@@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330473266 389234077 /nfs/dbraw/zinc/23/40/77/389234077.db2.gz GFKLSZBCFBQVMQ-ZDUSSCGKSA-N 1 2 293.371 0.645 20 30 CCEDLO Cn1cc([C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC000330517276 389237831 /nfs/dbraw/zinc/23/78/31/389237831.db2.gz XINUQGYZQZRRAG-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1cc([C@@H]2CCCC[N@H+]2CC(=O)NCC#N)cn1 ZINC000330517276 389237832 /nfs/dbraw/zinc/23/78/32/389237832.db2.gz XINUQGYZQZRRAG-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345645245 389311378 /nfs/dbraw/zinc/31/13/78/389311378.db2.gz WGWTXEZWMJPPMU-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000345721806 389312932 /nfs/dbraw/zinc/31/29/32/389312932.db2.gz LVCVLHXUZPBJPF-KFWWJZLASA-N 1 2 295.427 0.720 20 30 CCEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346870971 389340230 /nfs/dbraw/zinc/34/02/30/389340230.db2.gz LKUKPTFCXDSZDB-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346870971 389340235 /nfs/dbraw/zinc/34/02/35/389340235.db2.gz LKUKPTFCXDSZDB-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152223758 389285981 /nfs/dbraw/zinc/28/59/81/389285981.db2.gz QNQCADXFNHKDKX-RDBSUJKOSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152223758 389285983 /nfs/dbraw/zinc/28/59/83/389285983.db2.gz QNQCADXFNHKDKX-RDBSUJKOSA-N 1 2 295.383 0.627 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152372637 389289882 /nfs/dbraw/zinc/28/98/82/389289882.db2.gz REXJOJWABNEBPT-NWDGAFQWSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152372637 389289884 /nfs/dbraw/zinc/28/98/84/389289884.db2.gz REXJOJWABNEBPT-NWDGAFQWSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366042830 389291932 /nfs/dbraw/zinc/29/19/32/389291932.db2.gz UPLKRYNODJLAIM-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000348542641 389381117 /nfs/dbraw/zinc/38/11/17/389381117.db2.gz AZQVDOHDCCANRT-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000348542641 389381121 /nfs/dbraw/zinc/38/11/21/389381121.db2.gz AZQVDOHDCCANRT-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000348551102 389382539 /nfs/dbraw/zinc/38/25/39/389382539.db2.gz HONQZNBTUXNWCN-UHFFFAOYSA-N 1 2 281.356 0.634 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000348551102 389382541 /nfs/dbraw/zinc/38/25/41/389382541.db2.gz HONQZNBTUXNWCN-UHFFFAOYSA-N 1 2 281.356 0.634 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000348590793 389384202 /nfs/dbraw/zinc/38/42/02/389384202.db2.gz HKESISURTVDIKW-WDEREUQCSA-N 1 2 290.323 0.321 20 30 CCEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccon1 ZINC000349241385 389408539 /nfs/dbraw/zinc/40/85/39/389408539.db2.gz KRBUGZFAGSNHNH-NSHDSACASA-N 1 2 275.312 0.981 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c[nH]1 ZINC000367752416 389354843 /nfs/dbraw/zinc/35/48/43/389354843.db2.gz GMIAAFJZPCBCJJ-ZDUSSCGKSA-N 1 2 274.324 0.433 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348106154 389364971 /nfs/dbraw/zinc/36/49/71/389364971.db2.gz FNMPCAAOKFHADD-VIFPVBQESA-N 1 2 265.317 0.791 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348096015 389365089 /nfs/dbraw/zinc/36/50/89/389365089.db2.gz NYSNUDKGMALUFH-SFYZADRCSA-N 1 2 281.316 0.429 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000348095410 389365339 /nfs/dbraw/zinc/36/53/39/389365339.db2.gz LOFXASGJORSVDS-BDAKNGLRSA-N 1 2 265.317 0.789 20 30 CCEDLO O=C(NCC#CCO)c1cccc(C[NH+]2CCOCC2)c1 ZINC000412324037 389477878 /nfs/dbraw/zinc/47/78/78/389477878.db2.gz MHEWFQYVLMCVHV-UHFFFAOYSA-N 1 2 288.347 0.244 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411856380 389453382 /nfs/dbraw/zinc/45/33/82/389453382.db2.gz HBUPDTZFTRRLDM-GFCCVEGCSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411856380 389453384 /nfs/dbraw/zinc/45/33/84/389453384.db2.gz HBUPDTZFTRRLDM-GFCCVEGCSA-N 1 2 281.356 0.499 20 30 CCEDLO Cn1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000276704627 389531672 /nfs/dbraw/zinc/53/16/72/389531672.db2.gz BRAHZWILUXLOHY-CYBMUJFWSA-N 1 2 281.381 0.906 20 30 CCEDLO Cn1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000276704627 389531678 /nfs/dbraw/zinc/53/16/78/389531678.db2.gz BRAHZWILUXLOHY-CYBMUJFWSA-N 1 2 281.381 0.906 20 30 CCEDLO C=CCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425282571 389643690 /nfs/dbraw/zinc/64/36/90/389643690.db2.gz AISNNXKSVSCPTQ-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@](C)(C(N)=O)c2ccccc2)C1=O ZINC000282017654 389645800 /nfs/dbraw/zinc/64/58/00/389645800.db2.gz OXDPFWAVHAZRJW-BBRMVZONSA-N 1 2 287.363 0.764 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051849 389598658 /nfs/dbraw/zinc/59/86/58/389598658.db2.gz NXAHJVKYAHBOJM-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO CCC[C@]1(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414129276 389601709 /nfs/dbraw/zinc/60/17/09/389601709.db2.gz HWIFGGJRVVEGDF-RISCZKNCSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC[C@]1(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414129276 389601715 /nfs/dbraw/zinc/60/17/15/389601715.db2.gz HWIFGGJRVVEGDF-RISCZKNCSA-N 1 2 296.371 0.303 20 30 CCEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000178410098 389605218 /nfs/dbraw/zinc/60/52/18/389605218.db2.gz YGTGNDQFGONXGZ-UHFFFAOYSA-N 1 2 297.318 0.818 20 30 CCEDLO COc1cccc2c1CC[N@H+](CC(=O)NCC#N)C2 ZINC000182709433 389714996 /nfs/dbraw/zinc/71/49/96/389714996.db2.gz NHTPRTGYHHGJNJ-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO COc1cccc2c1CC[N@@H+](CC(=O)NCC#N)C2 ZINC000182709433 389714999 /nfs/dbraw/zinc/71/49/99/389714999.db2.gz NHTPRTGYHHGJNJ-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2C(=O)OC)C1=O ZINC000282094868 389656821 /nfs/dbraw/zinc/65/68/21/389656821.db2.gz VNDVWTNQMPGLGC-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2C(=O)OC)C1=O ZINC000282094868 389656825 /nfs/dbraw/zinc/65/68/25/389656825.db2.gz VNDVWTNQMPGLGC-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC)C(C)C)C1=O ZINC000282130645 389657079 /nfs/dbraw/zinc/65/70/79/389657079.db2.gz YSNFXYFUUVGECE-LLVKDONJSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC)C(C)C)C1=O ZINC000282130645 389657083 /nfs/dbraw/zinc/65/70/83/389657083.db2.gz YSNFXYFUUVGECE-LLVKDONJSA-N 1 2 254.330 0.657 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)s1 ZINC000180483336 389670930 /nfs/dbraw/zinc/67/09/30/389670930.db2.gz BXONRRIMFTZZGE-SECBINFHSA-N 1 2 262.338 0.829 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)s1 ZINC000180483336 389670933 /nfs/dbraw/zinc/67/09/33/389670933.db2.gz BXONRRIMFTZZGE-SECBINFHSA-N 1 2 262.338 0.829 20 30 CCEDLO Cc1nnc(CN(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000428236841 389687891 /nfs/dbraw/zinc/68/78/91/389687891.db2.gz IYGSBDHBKPJZHO-UHFFFAOYSA-N 1 2 278.360 0.161 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000428487928 389701388 /nfs/dbraw/zinc/70/13/88/389701388.db2.gz GFBKFYBSCSUWDM-ZDUSSCGKSA-N 1 2 263.272 0.119 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000428487928 389701391 /nfs/dbraw/zinc/70/13/91/389701391.db2.gz GFBKFYBSCSUWDM-ZDUSSCGKSA-N 1 2 263.272 0.119 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416670786 389765587 /nfs/dbraw/zinc/76/55/87/389765587.db2.gz UPYYAEQUCPNNII-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416670786 389765588 /nfs/dbraw/zinc/76/55/88/389765588.db2.gz UPYYAEQUCPNNII-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1C ZINC000416396783 389738598 /nfs/dbraw/zinc/73/85/98/389738598.db2.gz FIBQHUVIMAFJMI-RYUDHWBXSA-N 1 2 289.401 0.271 20 30 CCEDLO CCOCC[N@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1C ZINC000416396783 389738599 /nfs/dbraw/zinc/73/85/99/389738599.db2.gz FIBQHUVIMAFJMI-RYUDHWBXSA-N 1 2 289.401 0.271 20 30 CCEDLO N#CC1CCC(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000441004692 389821179 /nfs/dbraw/zinc/82/11/79/389821179.db2.gz QMOZNYWTEWNJEE-UHFFFAOYSA-N 1 2 294.399 0.948 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000432011296 389870454 /nfs/dbraw/zinc/87/04/54/389870454.db2.gz FHYVHAYQIONTKN-UHFFFAOYSA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000432011296 389870456 /nfs/dbraw/zinc/87/04/56/389870456.db2.gz FHYVHAYQIONTKN-UHFFFAOYSA-N 1 2 297.355 0.416 20 30 CCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000419359946 389891853 /nfs/dbraw/zinc/89/18/53/389891853.db2.gz RFMUDKXSZOIZLU-LLVKDONJSA-N 1 2 279.340 0.434 20 30 CCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000419359946 389891855 /nfs/dbraw/zinc/89/18/55/389891855.db2.gz RFMUDKXSZOIZLU-LLVKDONJSA-N 1 2 279.340 0.434 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000407957895 260063431 /nfs/dbraw/zinc/06/34/31/260063431.db2.gz OPTRKANWVYEMBG-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000407957895 260063433 /nfs/dbraw/zinc/06/34/33/260063433.db2.gz OPTRKANWVYEMBG-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCOC)CC1 ZINC000435431722 389957180 /nfs/dbraw/zinc/95/71/80/389957180.db2.gz KDXVPKJUZIOCTL-UHFFFAOYSA-N 1 2 262.375 0.156 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](C#N)CCC#N ZINC000435537391 389958215 /nfs/dbraw/zinc/95/82/15/389958215.db2.gz WZPCJEWJHZEJIX-ZIAGYGMSSA-N 1 2 280.372 0.055 20 30 CCEDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000457471111 390044447 /nfs/dbraw/zinc/04/44/47/390044447.db2.gz YWMHPDUNTLRJFJ-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440291239 390034863 /nfs/dbraw/zinc/03/48/63/390034863.db2.gz NRDFWBCRYGRXJW-LLVKDONJSA-N 1 2 286.335 0.659 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440291239 390034865 /nfs/dbraw/zinc/03/48/65/390034865.db2.gz NRDFWBCRYGRXJW-LLVKDONJSA-N 1 2 286.335 0.659 20 30 CCEDLO N#CCCn1ccc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000492858192 390118546 /nfs/dbraw/zinc/11/85/46/390118546.db2.gz FGXDQAIIJIMFJS-NSCUHMNNSA-N 1 2 256.269 0.594 20 30 CCEDLO C#CCN(CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490877708 390108429 /nfs/dbraw/zinc/10/84/29/390108429.db2.gz YTVRDMQFCSWXGE-GFCCVEGCSA-N 1 2 267.354 0.005 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000491384803 390112754 /nfs/dbraw/zinc/11/27/54/390112754.db2.gz PQPHYMILBOXEOE-VXGBXAGGSA-N 1 2 259.309 0.306 20 30 CCEDLO CN1CCC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000540902123 390226614 /nfs/dbraw/zinc/22/66/14/390226614.db2.gz AHLRQYFBGZWCBL-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000542877364 390274952 /nfs/dbraw/zinc/27/49/52/390274952.db2.gz LVHDMXHJSINHRA-NSHDSACASA-N 1 2 276.344 0.397 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000583298338 390281209 /nfs/dbraw/zinc/28/12/09/390281209.db2.gz XGBKBMQWNHFLMQ-OAHLLOKOSA-N 1 2 289.335 0.918 20 30 CCEDLO CN(C)c1[nH+]cc(CN2CC[C@@](O)(CC#N)C2)n1C ZINC000592522319 390363436 /nfs/dbraw/zinc/36/34/36/390363436.db2.gz LUBDPJYDCDAYAL-ZDUSSCGKSA-N 1 2 263.345 0.337 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)nn1 ZINC000648767581 390404648 /nfs/dbraw/zinc/40/46/48/390404648.db2.gz YLFQBMSPZKFQHS-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)nn1 ZINC000648767581 390404649 /nfs/dbraw/zinc/40/46/49/390404649.db2.gz YLFQBMSPZKFQHS-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000554677641 390438197 /nfs/dbraw/zinc/43/81/97/390438197.db2.gz IYUQDFWCZVRRIC-GFCCVEGCSA-N 1 2 299.400 0.732 20 30 CCEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000518709217 390494279 /nfs/dbraw/zinc/49/42/79/390494279.db2.gz MZQYPFPRFATKAA-LLVKDONJSA-N 1 2 268.280 0.694 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000515302523 390474660 /nfs/dbraw/zinc/47/46/60/390474660.db2.gz WYMOMKBCPXKBRZ-ZYHUDNBSSA-N 1 2 260.297 0.196 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000516230106 390480404 /nfs/dbraw/zinc/48/04/04/390480404.db2.gz IEKBVCWOVSBLJD-ZFWWWQNUSA-N 1 2 273.336 0.950 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000565873328 390554061 /nfs/dbraw/zinc/55/40/61/390554061.db2.gz DVAYUEOVYONQKB-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000565873328 390554065 /nfs/dbraw/zinc/55/40/65/390554065.db2.gz DVAYUEOVYONQKB-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)c(N)n1 ZINC000566629674 390634899 /nfs/dbraw/zinc/63/48/99/390634899.db2.gz JBWFAZWVZHATAM-UHFFFAOYSA-N 1 2 261.329 0.304 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)c(F)c1 ZINC000566419850 390602023 /nfs/dbraw/zinc/60/20/23/390602023.db2.gz ZWXCQHKPOQOTET-ZDUSSCGKSA-N 1 2 263.272 0.431 20 30 CCEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000567903375 390711584 /nfs/dbraw/zinc/71/15/84/390711584.db2.gz QQRXYIMWSVSJQG-FZMZJTMJSA-N 1 2 277.372 0.874 20 30 CCEDLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000569815367 390716552 /nfs/dbraw/zinc/71/65/52/390716552.db2.gz TUNHCNRZAZXTFG-SCRDCRAPSA-N 1 2 275.356 0.484 20 30 CCEDLO Cn1ncc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnc21 ZINC000570401499 390718442 /nfs/dbraw/zinc/71/84/42/390718442.db2.gz UPBYOSDVLSYTSD-CQSZACIVSA-N 1 2 286.339 0.542 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnoc2C)CC1 ZINC000527074562 390690999 /nfs/dbraw/zinc/69/09/99/390690999.db2.gz PAKVFSFRYXRDCH-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528792996 390779638 /nfs/dbraw/zinc/77/96/38/390779638.db2.gz WLBKUARAKKCKKY-NSHDSACASA-N 1 2 262.313 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528792996 390779639 /nfs/dbraw/zinc/77/96/39/390779639.db2.gz WLBKUARAKKCKKY-NSHDSACASA-N 1 2 262.313 0.621 20 30 CCEDLO Cc1nc(C(=O)N(C)CC[NH+]2CCOCC2)ccc1C#N ZINC000263892956 131355278 /nfs/dbraw/zinc/35/52/78/131355278.db2.gz VHPWPBNXSGHZHI-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000268669607 132045844 /nfs/dbraw/zinc/04/58/44/132045844.db2.gz JZRKMPQNHZXJRW-ZDUSSCGKSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000268669607 132045845 /nfs/dbraw/zinc/04/58/45/132045845.db2.gz JZRKMPQNHZXJRW-ZDUSSCGKSA-N 1 2 279.384 0.740 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(C)c1C#N ZINC000357176544 144067348 /nfs/dbraw/zinc/06/73/48/144067348.db2.gz ZEHCZDBLRKHPPJ-NSHDSACASA-N 1 2 291.355 0.084 20 30 CCEDLO Cc1[nH]nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1C#N ZINC000357250303 144073793 /nfs/dbraw/zinc/07/37/93/144073793.db2.gz YOVNILSQLFUXPR-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CCN2CCCC2=O)nn1 ZINC000653556213 412318002 /nfs/dbraw/zinc/31/80/02/412318002.db2.gz UUBAHPGIVLLCEJ-UHFFFAOYSA-N 1 2 277.372 0.908 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CCN2CCCC2=O)nn1 ZINC000653556213 412318005 /nfs/dbraw/zinc/31/80/05/412318005.db2.gz UUBAHPGIVLLCEJ-UHFFFAOYSA-N 1 2 277.372 0.908 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)nn1 ZINC000653638549 412327741 /nfs/dbraw/zinc/32/77/41/412327741.db2.gz FXDUABTWSZFTSI-BETUJISGSA-N 1 2 266.345 0.700 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)nn1 ZINC000653638549 412327742 /nfs/dbraw/zinc/32/77/42/412327742.db2.gz FXDUABTWSZFTSI-BETUJISGSA-N 1 2 266.345 0.700 20 30 CCEDLO C=CC[N@H+](CC(=O)Nc1cnccn1)[C@@H](C)COC ZINC000661241043 414583921 /nfs/dbraw/zinc/58/39/21/414583921.db2.gz VZUJDGGDDRRAMM-NSHDSACASA-N 1 2 264.329 0.938 20 30 CCEDLO C=CC[N@@H+](CC(=O)Nc1cnccn1)[C@@H](C)COC ZINC000661241043 414583923 /nfs/dbraw/zinc/58/39/23/414583923.db2.gz VZUJDGGDDRRAMM-NSHDSACASA-N 1 2 264.329 0.938 20 30 CCEDLO C=C[C@H](CO)Nc1cc(C)nc([C@@H](C)[NH2+][C@H](C=C)CO)n1 ZINC000662168380 414695046 /nfs/dbraw/zinc/69/50/46/414695046.db2.gz DELWAULOFKAPJY-JHJVBQTASA-N 1 2 292.383 0.941 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664704452 415450028 /nfs/dbraw/zinc/45/00/28/415450028.db2.gz VIZSWDZGWBVJHB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664704452 415450033 /nfs/dbraw/zinc/45/00/33/415450033.db2.gz VIZSWDZGWBVJHB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665379584 415625207 /nfs/dbraw/zinc/62/52/07/415625207.db2.gz SXLWMFXNLLPJGK-OCCSQVGLSA-N 1 2 268.357 0.247 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CCOCC1 ZINC000330000260 228012453 /nfs/dbraw/zinc/01/24/53/228012453.db2.gz WDFCBYDLEYGLIJ-UBHSHLNASA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CCOCC1 ZINC000330000260 228012454 /nfs/dbraw/zinc/01/24/54/228012454.db2.gz WDFCBYDLEYGLIJ-UBHSHLNASA-N 1 2 297.399 0.730 20 30 CCEDLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CC[NH+](C2CC2)CC1 ZINC000330002863 228013672 /nfs/dbraw/zinc/01/36/72/228013672.db2.gz ZERDCUILXLQWNQ-MGNBDDOMSA-N 1 2 271.386 0.201 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCN1CCOCC1 ZINC000330099703 228039712 /nfs/dbraw/zinc/03/97/12/228039712.db2.gz ZYJLBAGWGKPXKT-UHFFFAOYSA-N 1 2 266.345 0.641 20 30 CCEDLO Cn1nccc1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330259947 228083929 /nfs/dbraw/zinc/08/39/29/228083929.db2.gz SKDRRDVAAJDRAR-VIFPVBQESA-N 1 2 260.301 0.958 20 30 CCEDLO Cn1nccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330259947 228083930 /nfs/dbraw/zinc/08/39/30/228083930.db2.gz SKDRRDVAAJDRAR-VIFPVBQESA-N 1 2 260.301 0.958 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000332034378 228144574 /nfs/dbraw/zinc/14/45/74/228144574.db2.gz SNUTUJICAIDFGE-CLUVUEOHSA-N 1 2 285.413 0.590 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000332034378 228144575 /nfs/dbraw/zinc/14/45/75/228144575.db2.gz SNUTUJICAIDFGE-CLUVUEOHSA-N 1 2 285.413 0.590 20 30 CCEDLO Cc1ncsc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329428215 545022978 /nfs/dbraw/zinc/02/29/78/545022978.db2.gz HAARIFSTBZWTSJ-LLVKDONJSA-N 1 2 297.428 0.701 20 30 CCEDLO Cc1ncsc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329428215 545022980 /nfs/dbraw/zinc/02/29/80/545022980.db2.gz HAARIFSTBZWTSJ-LLVKDONJSA-N 1 2 297.428 0.701 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@@H]1CCCCO1 ZINC000329438022 545022996 /nfs/dbraw/zinc/02/29/96/545022996.db2.gz JPLGMVJYMXEZGZ-MJBXVCDLSA-N 1 2 298.431 0.693 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@@H]1CCCCO1 ZINC000329438022 545022997 /nfs/dbraw/zinc/02/29/97/545022997.db2.gz JPLGMVJYMXEZGZ-MJBXVCDLSA-N 1 2 298.431 0.693 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329736000 545025669 /nfs/dbraw/zinc/02/56/69/545025669.db2.gz SHHACIOOKFMOQH-MXWKQRLJSA-N 1 2 292.339 0.281 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329736000 545025671 /nfs/dbraw/zinc/02/56/71/545025671.db2.gz SHHACIOOKFMOQH-MXWKQRLJSA-N 1 2 292.339 0.281 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000333207175 545038710 /nfs/dbraw/zinc/03/87/10/545038710.db2.gz SLGKCHYNYZVELS-MQYQWHSLSA-N 1 2 295.383 0.444 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000333207175 545038712 /nfs/dbraw/zinc/03/87/12/545038712.db2.gz SLGKCHYNYZVELS-MQYQWHSLSA-N 1 2 295.383 0.444 20 30 CCEDLO C=CCn1nnnc1SCC[N@H+]1CCOC[C@@H]1C ZINC000188300877 260125913 /nfs/dbraw/zinc/12/59/13/260125913.db2.gz IWCZIDHHQDGLFE-JTQLQIEISA-N 1 2 269.374 0.672 20 30 CCEDLO C=CCn1nnnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000188300877 260125914 /nfs/dbraw/zinc/12/59/14/260125914.db2.gz IWCZIDHHQDGLFE-JTQLQIEISA-N 1 2 269.374 0.672 20 30 CCEDLO C[C@@H](C(=O)N1CCOC[C@@H]1C#N)[NH+]1CCSCC1 ZINC000408032599 260186809 /nfs/dbraw/zinc/18/68/09/260186809.db2.gz ZILHWZKZHCWZNW-QWRGUYRKSA-N 1 2 269.370 0.175 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049000953 260203067 /nfs/dbraw/zinc/20/30/67/260203067.db2.gz WDRVSKUTSTTXRH-IUCAKERBSA-N 1 2 252.318 0.455 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049000953 260203069 /nfs/dbraw/zinc/20/30/69/260203069.db2.gz WDRVSKUTSTTXRH-IUCAKERBSA-N 1 2 252.318 0.455 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)cn1 ZINC000057599682 260225299 /nfs/dbraw/zinc/22/52/99/260225299.db2.gz UWZGOQFDAKWWSA-UHFFFAOYSA-N 1 2 288.355 0.508 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cn1 ZINC000057599682 260225301 /nfs/dbraw/zinc/22/53/01/260225301.db2.gz UWZGOQFDAKWWSA-UHFFFAOYSA-N 1 2 288.355 0.508 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000080723253 260318595 /nfs/dbraw/zinc/31/85/95/260318595.db2.gz VYGDYCWKWABZCG-UHFFFAOYSA-N 1 2 263.297 0.707 20 30 CCEDLO N#CCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000121065144 260707547 /nfs/dbraw/zinc/70/75/47/260707547.db2.gz FQCPIDXZXIDOEL-UHFFFAOYSA-N 1 2 283.335 0.892 20 30 CCEDLO C=CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000448391454 261138197 /nfs/dbraw/zinc/13/81/97/261138197.db2.gz ULPPNMTYVUDNJF-ZDUSSCGKSA-N 1 2 285.388 0.287 20 30 CCEDLO CN(CCCn1cc[nH+]c1)C(=O)CSCC#N ZINC000161682380 261256652 /nfs/dbraw/zinc/25/66/52/261256652.db2.gz HHZPJXNGIZNLPY-UHFFFAOYSA-N 1 2 252.343 0.988 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000490951113 261263670 /nfs/dbraw/zinc/26/36/70/261263670.db2.gz WBLTUFUFMZAITI-CQSZACIVSA-N 1 2 261.369 0.107 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000364567045 262254312 /nfs/dbraw/zinc/25/43/12/262254312.db2.gz YSMUNDIQSBYICQ-AWEZNQCLSA-N 1 2 260.337 0.335 20 30 CCEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000496713772 262352319 /nfs/dbraw/zinc/35/23/19/262352319.db2.gz GGDSKDIGKWTYRG-LLVKDONJSA-N 1 2 294.355 0.321 20 30 CCEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000496713772 262352320 /nfs/dbraw/zinc/35/23/20/262352320.db2.gz GGDSKDIGKWTYRG-LLVKDONJSA-N 1 2 294.355 0.321 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000273583171 263018093 /nfs/dbraw/zinc/01/80/93/263018093.db2.gz PJUQSRCVAJQKNR-UHFFFAOYSA-N 1 2 295.339 0.819 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226718 263098205 /nfs/dbraw/zinc/09/82/05/263098205.db2.gz SUWVWTDGXWMDBA-LLVKDONJSA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340226718 263098206 /nfs/dbraw/zinc/09/82/06/263098206.db2.gz SUWVWTDGXWMDBA-LLVKDONJSA-N 1 2 251.330 0.007 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N2CCSCC2)CC1 ZINC000286367104 263098237 /nfs/dbraw/zinc/09/82/37/263098237.db2.gz JQTRMCAYSGQHPI-UHFFFAOYSA-N 1 2 253.371 0.406 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)C)cs1 ZINC000289478324 263110525 /nfs/dbraw/zinc/11/05/25/263110525.db2.gz XRNDIYOTQQZAFS-UHFFFAOYSA-N 1 2 256.331 0.371 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000294437621 263161764 /nfs/dbraw/zinc/16/17/64/263161764.db2.gz GEMPGXQUUURNGV-CQSZACIVSA-N 1 2 293.367 0.099 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000299238090 263236403 /nfs/dbraw/zinc/23/64/03/263236403.db2.gz JVGUGQXSDLIGNK-LBPRGKRZSA-N 1 2 263.341 0.425 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340656565 263254970 /nfs/dbraw/zinc/25/49/70/263254970.db2.gz SAFVRLLYMABIRI-NSHDSACASA-N 1 2 264.329 0.422 20 30 CCEDLO C=CCC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCCC1 ZINC000425296381 263302767 /nfs/dbraw/zinc/30/27/67/263302767.db2.gz RWLURBHFGNOWDZ-AWEZNQCLSA-N 1 2 296.411 0.932 20 30 CCEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000122404938 263302780 /nfs/dbraw/zinc/30/27/80/263302780.db2.gz NPEMSXBWXBLOMJ-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000122404938 263302781 /nfs/dbraw/zinc/30/27/81/263302781.db2.gz NPEMSXBWXBLOMJ-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000341860540 263356903 /nfs/dbraw/zinc/35/69/03/263356903.db2.gz RKCWHPUDPMUPSG-QWHCGFSZSA-N 1 2 285.388 0.191 20 30 CCEDLO COCC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330695276 264004805 /nfs/dbraw/zinc/00/48/05/264004805.db2.gz JEGBIYNCHPYHNE-NWDGAFQWSA-N 1 2 272.393 0.161 20 30 CCEDLO COCC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330695276 264004809 /nfs/dbraw/zinc/00/48/09/264004809.db2.gz JEGBIYNCHPYHNE-NWDGAFQWSA-N 1 2 272.393 0.161 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330739618 264038028 /nfs/dbraw/zinc/03/80/28/264038028.db2.gz ADVHBXOTWVAFOM-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330739618 264038031 /nfs/dbraw/zinc/03/80/31/264038031.db2.gz ADVHBXOTWVAFOM-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330738816 264038224 /nfs/dbraw/zinc/03/82/24/264038224.db2.gz NYOFQJLJNPOSCJ-RYUDHWBXSA-N 1 2 283.372 0.948 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330738816 264038225 /nfs/dbraw/zinc/03/82/25/264038225.db2.gz NYOFQJLJNPOSCJ-RYUDHWBXSA-N 1 2 283.372 0.948 20 30 CCEDLO CC(C)[C@H](O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330887919 264063465 /nfs/dbraw/zinc/06/34/65/264063465.db2.gz AEYHXLMWLHLLAP-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@H](O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330887919 264063467 /nfs/dbraw/zinc/06/34/67/264063467.db2.gz AEYHXLMWLHLLAP-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000330952278 264086337 /nfs/dbraw/zinc/08/63/37/264086337.db2.gz QPAQYNZWUDQWLW-SNVBAGLBSA-N 1 2 264.329 0.416 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000330952278 264086339 /nfs/dbraw/zinc/08/63/39/264086339.db2.gz QPAQYNZWUDQWLW-SNVBAGLBSA-N 1 2 264.329 0.416 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000330954745 264087385 /nfs/dbraw/zinc/08/73/85/264087385.db2.gz GUOFUZQAPCBPGZ-OCCSQVGLSA-N 1 2 299.440 0.841 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000330954745 264087388 /nfs/dbraw/zinc/08/73/88/264087388.db2.gz GUOFUZQAPCBPGZ-OCCSQVGLSA-N 1 2 299.440 0.841 20 30 CCEDLO C[C@H](C[S@](C)=O)[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330964120 264089793 /nfs/dbraw/zinc/08/97/93/264089793.db2.gz KREWOGXHBCQCLV-NLQQUQSOSA-N 1 2 298.412 0.716 20 30 CCEDLO C[C@H](C[S@](C)=O)NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000330964120 264089795 /nfs/dbraw/zinc/08/97/95/264089795.db2.gz KREWOGXHBCQCLV-NLQQUQSOSA-N 1 2 298.412 0.716 20 30 CCEDLO C[C@H](C[S@](C)=O)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330964120 264089796 /nfs/dbraw/zinc/08/97/96/264089796.db2.gz KREWOGXHBCQCLV-NLQQUQSOSA-N 1 2 298.412 0.716 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000331224490 264149516 /nfs/dbraw/zinc/14/95/16/264149516.db2.gz DQMYAQWPFIWHQI-JTQLQIEISA-N 1 2 282.344 0.231 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000331224490 264149518 /nfs/dbraw/zinc/14/95/18/264149518.db2.gz DQMYAQWPFIWHQI-JTQLQIEISA-N 1 2 282.344 0.231 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000331212634 264163335 /nfs/dbraw/zinc/16/33/35/264163335.db2.gz KKYYMNFMDNHAFU-TUAOUCFPSA-N 1 2 299.371 0.162 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000331212634 264163338 /nfs/dbraw/zinc/16/33/38/264163338.db2.gz KKYYMNFMDNHAFU-TUAOUCFPSA-N 1 2 299.371 0.162 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160339052 264241146 /nfs/dbraw/zinc/24/11/46/264241146.db2.gz PFONMMJTRTUVBP-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCc1[nH+]ccn1C ZINC000163598072 264356968 /nfs/dbraw/zinc/35/69/68/264356968.db2.gz UGZMRUVBUGARSC-UHFFFAOYSA-N 1 2 251.315 0.783 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC000518998394 265289544 /nfs/dbraw/zinc/28/95/44/265289544.db2.gz IWPPCTMHWSPRFF-YPMHNXCESA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC000518998394 265289547 /nfs/dbraw/zinc/28/95/47/265289547.db2.gz IWPPCTMHWSPRFF-YPMHNXCESA-N 1 2 290.367 0.834 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000367708736 267112264 /nfs/dbraw/zinc/11/22/64/267112264.db2.gz RJQMBVJHXIOPNQ-DGCLKSJQSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000367708736 267112266 /nfs/dbraw/zinc/11/22/66/267112266.db2.gz RJQMBVJHXIOPNQ-DGCLKSJQSA-N 1 2 295.383 0.888 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000368515327 267179377 /nfs/dbraw/zinc/17/93/77/267179377.db2.gz KHNHTWOMTHZRRB-UHFFFAOYSA-N 1 2 252.767 0.753 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000369536807 267248469 /nfs/dbraw/zinc/24/84/69/267248469.db2.gz LCPNFFFGUZJMFS-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000369536807 267248474 /nfs/dbraw/zinc/24/84/74/267248474.db2.gz LCPNFFFGUZJMFS-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000370438194 267318492 /nfs/dbraw/zinc/31/84/92/267318492.db2.gz HSJLNMAIAJWWHO-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC#N)CC1 ZINC000370438194 267318493 /nfs/dbraw/zinc/31/84/93/267318493.db2.gz HSJLNMAIAJWWHO-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](OC)C2CC2)c1C#N ZINC000525942919 267348243 /nfs/dbraw/zinc/34/82/43/267348243.db2.gz XFDPJMGNSZAHEQ-GFCCVEGCSA-N 1 2 291.355 0.219 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCCNC3=O)C[C@@H]21 ZINC000329536320 290088127 /nfs/dbraw/zinc/08/81/27/290088127.db2.gz UJDQAYIONPWIRQ-SDDRHHMPSA-N 1 2 296.371 0.424 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCCNC3=O)C[C@@H]21 ZINC000329536320 290088131 /nfs/dbraw/zinc/08/81/31/290088131.db2.gz UJDQAYIONPWIRQ-SDDRHHMPSA-N 1 2 296.371 0.424 20 30 CCEDLO C[C@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCOCC1 ZINC000339692801 328012857 /nfs/dbraw/zinc/01/28/57/328012857.db2.gz APWMTFGSISTFNS-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339779330 328068219 /nfs/dbraw/zinc/06/82/19/328068219.db2.gz ZGVCUTJNLWCONP-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339779330 328068221 /nfs/dbraw/zinc/06/82/21/328068221.db2.gz ZGVCUTJNLWCONP-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265803293 328166819 /nfs/dbraw/zinc/16/68/19/328166819.db2.gz KSDQVTJULUSGEW-UHFFFAOYSA-N 1 2 259.309 0.772 20 30 CCEDLO CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)N1CCCC1=O ZINC000577378413 327259546 /nfs/dbraw/zinc/25/95/46/327259546.db2.gz UNJFNYKUVHJRHI-RISCZKNCSA-N 1 2 280.372 0.347 20 30 CCEDLO CN(C)C(=O)[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000507221998 332797863 /nfs/dbraw/zinc/79/78/63/332797863.db2.gz QQHPIQQWKLJLID-CYBMUJFWSA-N 1 2 274.324 0.045 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000564735979 327460697 /nfs/dbraw/zinc/46/06/97/327460697.db2.gz LNCYASPUMKQRLM-NEPJUHHUSA-N 1 2 283.372 0.972 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000361080514 328914423 /nfs/dbraw/zinc/91/44/23/328914423.db2.gz RQIDFMUYFGLHAN-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C#CCOCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000179414748 329205483 /nfs/dbraw/zinc/20/54/83/329205483.db2.gz QONGUGTWNGTCDC-UHFFFAOYSA-N 1 2 296.367 0.124 20 30 CCEDLO C#CCOCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000179414748 329205484 /nfs/dbraw/zinc/20/54/84/329205484.db2.gz QONGUGTWNGTCDC-UHFFFAOYSA-N 1 2 296.367 0.124 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189289920 329379308 /nfs/dbraw/zinc/37/93/08/329379308.db2.gz LNYKEWLASXXLJS-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189289920 329379309 /nfs/dbraw/zinc/37/93/09/329379309.db2.gz LNYKEWLASXXLJS-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCCO1 ZINC000078686964 329968681 /nfs/dbraw/zinc/96/86/81/329968681.db2.gz YWEZYXPTWZIWOC-CQSZACIVSA-N 1 2 267.373 0.713 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501377 330318073 /nfs/dbraw/zinc/31/80/73/330318073.db2.gz FQDSKSKPLFEDJW-MNOVXSKESA-N 1 2 291.355 0.744 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501377 330318074 /nfs/dbraw/zinc/31/80/74/330318074.db2.gz FQDSKSKPLFEDJW-MNOVXSKESA-N 1 2 291.355 0.744 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009968 330389969 /nfs/dbraw/zinc/38/99/69/330389969.db2.gz SLVFYXKYIOLYQQ-NSHDSACASA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009968 330389970 /nfs/dbraw/zinc/38/99/70/330389970.db2.gz SLVFYXKYIOLYQQ-NSHDSACASA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCNC(=O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439031187 330732797 /nfs/dbraw/zinc/73/27/97/330732797.db2.gz YDLWFAUCWSCISH-UHFFFAOYSA-N 1 2 273.296 0.758 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000451289357 331023355 /nfs/dbraw/zinc/02/33/55/331023355.db2.gz VVJQVUAZXJFCQA-MCIONIFRSA-N 1 2 282.384 0.757 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451818140 331043752 /nfs/dbraw/zinc/04/37/52/331043752.db2.gz VVUOBEKGHFGBQY-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000451818140 331043753 /nfs/dbraw/zinc/04/37/53/331043753.db2.gz VVUOBEKGHFGBQY-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458717233 331257534 /nfs/dbraw/zinc/25/75/34/331257534.db2.gz LNZXYUBDCJIFFX-CYBMUJFWSA-N 1 2 297.399 0.478 20 30 CCEDLO C=C(CC)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000459082718 331269758 /nfs/dbraw/zinc/26/97/58/331269758.db2.gz SIHASBWGESVGMS-UHFFFAOYSA-N 1 2 282.388 0.544 20 30 CCEDLO OC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000459698188 331294897 /nfs/dbraw/zinc/29/48/97/331294897.db2.gz MWGYIFIEIWOPQG-TZMCWYRMSA-N 1 2 265.740 0.977 20 30 CCEDLO OC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1O ZINC000459698188 331294898 /nfs/dbraw/zinc/29/48/98/331294898.db2.gz MWGYIFIEIWOPQG-TZMCWYRMSA-N 1 2 265.740 0.977 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000490676251 332102489 /nfs/dbraw/zinc/10/24/89/332102489.db2.gz HBCPYVMGUDCBNK-SREVYHEPSA-N 1 2 289.379 0.236 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000490676251 332102490 /nfs/dbraw/zinc/10/24/90/332102490.db2.gz HBCPYVMGUDCBNK-SREVYHEPSA-N 1 2 289.379 0.236 20 30 CCEDLO C#CC[N@@H+](CCC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000490739555 332110232 /nfs/dbraw/zinc/11/02/32/332110232.db2.gz IZIKXZZSTGXQRZ-LBPRGKRZSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000490739555 332110233 /nfs/dbraw/zinc/11/02/33/332110233.db2.gz IZIKXZZSTGXQRZ-LBPRGKRZSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000490935272 332130823 /nfs/dbraw/zinc/13/08/23/332130823.db2.gz LZSWRRNMURREEN-LLVKDONJSA-N 1 2 275.356 0.112 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000490935272 332130824 /nfs/dbraw/zinc/13/08/24/332130824.db2.gz LZSWRRNMURREEN-LLVKDONJSA-N 1 2 275.356 0.112 20 30 CCEDLO C#CC[N@@H+](CCC[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000491276003 332179080 /nfs/dbraw/zinc/17/90/80/332179080.db2.gz HIZLWYQDWLWDDX-NWDGAFQWSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@H+](CCC[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000491276003 332179081 /nfs/dbraw/zinc/17/90/81/332179081.db2.gz HIZLWYQDWLWDDX-NWDGAFQWSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC000491314940 332188302 /nfs/dbraw/zinc/18/83/02/332188302.db2.gz JZNYNTHQBXLGHA-UHFFFAOYSA-N 1 2 251.330 0.708 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC000491314940 332188303 /nfs/dbraw/zinc/18/83/03/332188303.db2.gz JZNYNTHQBXLGHA-UHFFFAOYSA-N 1 2 251.330 0.708 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000491340608 332193765 /nfs/dbraw/zinc/19/37/65/332193765.db2.gz YYCPFUNNLQGEAC-NSHDSACASA-N 1 2 279.340 0.041 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000491340608 332193767 /nfs/dbraw/zinc/19/37/67/332193767.db2.gz YYCPFUNNLQGEAC-NSHDSACASA-N 1 2 279.340 0.041 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000491361348 332196914 /nfs/dbraw/zinc/19/69/14/332196914.db2.gz KVRDVSKYWCHFDO-VIFPVBQESA-N 1 2 251.286 0.097 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000491361348 332196916 /nfs/dbraw/zinc/19/69/16/332196916.db2.gz KVRDVSKYWCHFDO-VIFPVBQESA-N 1 2 251.286 0.097 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)/C=C\c1[nH+]ccn1CC ZINC000491640852 332260550 /nfs/dbraw/zinc/26/05/50/332260550.db2.gz PEHZQBZBKDBGPR-FOQNGQEVSA-N 1 2 259.309 0.777 20 30 CCEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491670662 332277702 /nfs/dbraw/zinc/27/77/02/332277702.db2.gz ZMLNGYMKOHITPR-SECBINFHSA-N 1 2 261.281 0.557 20 30 CCEDLO C#CC[N@H+](C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491708471 332300731 /nfs/dbraw/zinc/30/07/31/332300731.db2.gz NDLHVXQVWGXYNT-NWDGAFQWSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@@H+](C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491708471 332300730 /nfs/dbraw/zinc/30/07/30/332300730.db2.gz NDLHVXQVWGXYNT-NWDGAFQWSA-N 1 2 259.371 0.534 20 30 CCEDLO C#C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000491776814 332342138 /nfs/dbraw/zinc/34/21/38/332342138.db2.gz CQJAJDPOALYEEL-NSHDSACASA-N 1 2 253.323 0.044 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000491811185 332363823 /nfs/dbraw/zinc/36/38/23/332363823.db2.gz BULRJYAKEUJJRS-CQSZACIVSA-N 1 2 258.321 0.880 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000491811185 332363824 /nfs/dbraw/zinc/36/38/24/332363824.db2.gz BULRJYAKEUJJRS-CQSZACIVSA-N 1 2 258.321 0.880 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000491821345 332370758 /nfs/dbraw/zinc/37/07/58/332370758.db2.gz VQIXKNDVUCPTMP-GJZGRUSLSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000491821345 332370759 /nfs/dbraw/zinc/37/07/59/332370759.db2.gz VQIXKNDVUCPTMP-GJZGRUSLSA-N 1 2 291.395 0.017 20 30 CCEDLO C=CCN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491955663 332377091 /nfs/dbraw/zinc/37/70/91/332377091.db2.gz LHWIRNPKLQTKOI-UHFFFAOYSA-N 1 2 262.375 0.156 20 30 CCEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccnn1C ZINC000575872765 335126746 /nfs/dbraw/zinc/12/67/46/335126746.db2.gz YDAAEPVHSVBZQS-ZWNOBZJWSA-N 1 2 263.345 0.484 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CSCC#N)CCO1 ZINC000523437915 333326755 /nfs/dbraw/zinc/32/67/55/333326755.db2.gz UKJUJVPHWGGASY-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CSCC#N)CCO1 ZINC000523437915 333326757 /nfs/dbraw/zinc/32/67/57/333326757.db2.gz UKJUJVPHWGGASY-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCc1ccccc1OC ZINC000076185490 334076048 /nfs/dbraw/zinc/07/60/48/334076048.db2.gz ZKJSFAPFOBJTFI-UHFFFAOYSA-N 1 2 284.359 0.922 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000135150852 334118016 /nfs/dbraw/zinc/11/80/16/334118016.db2.gz QUSUWXBOQSHJCC-ZFWWWQNUSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000576248289 335177427 /nfs/dbraw/zinc/17/74/27/335177427.db2.gz PXHUEZBZYPZDGT-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000576248289 335177428 /nfs/dbraw/zinc/17/74/28/335177428.db2.gz PXHUEZBZYPZDGT-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOCCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000552188518 334300500 /nfs/dbraw/zinc/30/05/00/334300500.db2.gz DPYQPGSQDWUAIS-UHFFFAOYSA-N 1 2 264.329 0.797 20 30 CCEDLO CC1(C)C[NH+](CC(=O)N2CCSC[C@@H]2C#N)C1 ZINC000565316262 334552520 /nfs/dbraw/zinc/55/25/20/334552520.db2.gz ZJVQHSNLIQXODT-JTQLQIEISA-N 1 2 253.371 0.796 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569106769 334855604 /nfs/dbraw/zinc/85/56/04/334855604.db2.gz GGYXUUCWLSTVGB-UHTWSYAYSA-N 1 2 261.325 0.905 20 30 CCEDLO CCOC(=O)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578240421 335590929 /nfs/dbraw/zinc/59/09/29/335590929.db2.gz RIILLRUPTNVNIQ-LBPRGKRZSA-N 1 2 255.318 0.290 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000578708117 335664963 /nfs/dbraw/zinc/66/49/63/335664963.db2.gz ADPNGIQVDJQTAR-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000581229131 336028128 /nfs/dbraw/zinc/02/81/28/336028128.db2.gz HACVUNITGSMQMC-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000581229131 336028130 /nfs/dbraw/zinc/02/81/30/336028130.db2.gz HACVUNITGSMQMC-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO N#CCCCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000345025103 534602500 /nfs/dbraw/zinc/60/25/00/534602500.db2.gz VWIGEOXPNPNWNS-UHFFFAOYSA-N 1 2 256.331 0.496 20 30 CCEDLO C[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147408742 522883540 /nfs/dbraw/zinc/88/35/40/522883540.db2.gz YAFSGJAKPKBYEF-UHFFFAOYSA-N 1 2 268.338 0.256 20 30 CCEDLO C[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147408742 522883552 /nfs/dbraw/zinc/88/35/52/522883552.db2.gz YAFSGJAKPKBYEF-UHFFFAOYSA-N 1 2 268.338 0.256 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000182487816 524087109 /nfs/dbraw/zinc/08/71/09/524087109.db2.gz JOPCMRPSBWGEMM-NSHDSACASA-N 1 2 265.338 0.567 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000182487816 524087114 /nfs/dbraw/zinc/08/71/14/524087114.db2.gz JOPCMRPSBWGEMM-NSHDSACASA-N 1 2 265.338 0.567 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000340316441 524553006 /nfs/dbraw/zinc/55/30/06/524553006.db2.gz GETANQXVYUDHJL-VIFPVBQESA-N 1 2 292.364 0.721 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000340316441 524553014 /nfs/dbraw/zinc/55/30/14/524553014.db2.gz GETANQXVYUDHJL-VIFPVBQESA-N 1 2 292.364 0.721 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(C#N)c1 ZINC000354588059 524961492 /nfs/dbraw/zinc/96/14/92/524961492.db2.gz UZNATTKBVHDSCJ-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO C=CCN(Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000352562305 526380315 /nfs/dbraw/zinc/38/03/15/526380315.db2.gz JHWXFMYSJSJUSN-LLVKDONJSA-N 1 2 255.343 0.585 20 30 CCEDLO C=CCN(Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000352562305 526380323 /nfs/dbraw/zinc/38/03/23/526380323.db2.gz JHWXFMYSJSJUSN-LLVKDONJSA-N 1 2 255.343 0.585 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@@H]2CC(=O)OC)C1=O ZINC000347451515 526481612 /nfs/dbraw/zinc/48/16/12/526481612.db2.gz OLFKVNNWCKIZGV-NWDGAFQWSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@@H]2CC(=O)OC)C1=O ZINC000347451515 526481615 /nfs/dbraw/zinc/48/16/15/526481615.db2.gz OLFKVNNWCKIZGV-NWDGAFQWSA-N 1 2 282.340 0.037 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000366558718 526592723 /nfs/dbraw/zinc/59/27/23/526592723.db2.gz SOORSHMAYYLTOT-AWEZNQCLSA-N 1 2 286.335 0.500 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ncc(C#N)cc2F)CC1 ZINC000413051153 526629331 /nfs/dbraw/zinc/62/93/31/526629331.db2.gz FKCMZBLBSGPAFK-UHFFFAOYSA-N 1 2 291.330 0.668 20 30 CCEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NCC#N)CC2 ZINC000331476936 527338731 /nfs/dbraw/zinc/33/87/31/527338731.db2.gz VMFWOUPYFHPPJC-UHFFFAOYSA-N 1 2 285.347 0.930 20 30 CCEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)NCC#N)CC2 ZINC000331476936 527338738 /nfs/dbraw/zinc/33/87/38/527338738.db2.gz VMFWOUPYFHPPJC-UHFFFAOYSA-N 1 2 285.347 0.930 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000668570444 545182248 /nfs/dbraw/zinc/18/22/48/545182248.db2.gz XRLKDTSRGMPESU-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670410041 545233621 /nfs/dbraw/zinc/23/36/21/545233621.db2.gz AGRXIVWKNNZEGA-CQSZACIVSA-N 1 2 281.400 0.475 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670410041 545233622 /nfs/dbraw/zinc/23/36/22/545233622.db2.gz AGRXIVWKNNZEGA-CQSZACIVSA-N 1 2 281.400 0.475 20 30 CCEDLO CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000329236160 528710898 /nfs/dbraw/zinc/71/08/98/528710898.db2.gz JHAWAOZALJZQEN-STQMWFEESA-N 1 2 285.388 0.588 20 30 CCEDLO CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000329236160 528710904 /nfs/dbraw/zinc/71/09/04/528710904.db2.gz JHAWAOZALJZQEN-STQMWFEESA-N 1 2 285.388 0.588 20 30 CCEDLO C=CCCOCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000672209591 545265044 /nfs/dbraw/zinc/26/50/44/545265044.db2.gz QWXFOEUXOITGBJ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672879495 545274464 /nfs/dbraw/zinc/27/44/64/545274464.db2.gz XAOXNUFLIBFEOV-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672879495 545274465 /nfs/dbraw/zinc/27/44/65/545274465.db2.gz XAOXNUFLIBFEOV-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO COCC#CC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000677817221 545373622 /nfs/dbraw/zinc/37/36/22/545373622.db2.gz JIPKGOCWEDQRJA-NSHDSACASA-N 1 2 259.371 0.534 20 30 CCEDLO COCC#CC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000677817221 545373623 /nfs/dbraw/zinc/37/36/23/545373623.db2.gz JIPKGOCWEDQRJA-NSHDSACASA-N 1 2 259.371 0.534 20 30 CCEDLO C=CCOCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000679477666 545410122 /nfs/dbraw/zinc/41/01/22/545410122.db2.gz VYQIVILUKDLBBQ-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000790271584 581182316 /nfs/dbraw/zinc/18/23/16/581182316.db2.gz QINOHXBUDHZEDC-RDBSUJKOSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000790271584 581182317 /nfs/dbraw/zinc/18/23/17/581182317.db2.gz QINOHXBUDHZEDC-RDBSUJKOSA-N 1 2 280.368 0.394 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000106332440 581119062 /nfs/dbraw/zinc/11/90/62/581119062.db2.gz QMMKQRPIIHAJRJ-GFCCVEGCSA-N 1 2 289.339 0.818 20 30 CCEDLO C#CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790159945 581178358 /nfs/dbraw/zinc/17/83/58/581178358.db2.gz XENYCBFFIQGGSC-UHFFFAOYSA-N 1 2 257.293 0.102 20 30 CCEDLO C#CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790159945 581178359 /nfs/dbraw/zinc/17/83/59/581178359.db2.gz XENYCBFFIQGGSC-UHFFFAOYSA-N 1 2 257.293 0.102 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-n3cncn3)c(F)c2)N1 ZINC000779797263 581206146 /nfs/dbraw/zinc/20/61/46/581206146.db2.gz DLVLNZLGIYOTNF-VIFPVBQESA-N 1 2 287.302 0.678 20 30 CCEDLO C=C(CO)C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000791302712 581213382 /nfs/dbraw/zinc/21/33/82/581213382.db2.gz YQUOJBPXLHGUNR-GFCCVEGCSA-N 1 2 296.392 0.786 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780931859 581250343 /nfs/dbraw/zinc/25/03/43/581250343.db2.gz GLSNMAGMNPROOR-CYBMUJFWSA-N 1 2 270.292 0.973 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000782067203 581286834 /nfs/dbraw/zinc/28/68/34/581286834.db2.gz CSPLGZJYBAFNPB-AWEZNQCLSA-N 1 2 283.331 0.771 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000782067203 581286835 /nfs/dbraw/zinc/28/68/35/581286835.db2.gz CSPLGZJYBAFNPB-AWEZNQCLSA-N 1 2 283.331 0.771 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000783617118 581352849 /nfs/dbraw/zinc/35/28/49/581352849.db2.gz ZSMCLMRHBCCZLO-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO C#CCOCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000784181479 581375377 /nfs/dbraw/zinc/37/53/77/581375377.db2.gz NAVPIHIIYZHYOE-UHFFFAOYSA-N 1 2 276.340 0.597 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCCCNC1=O ZINC000784340229 581380822 /nfs/dbraw/zinc/38/08/22/581380822.db2.gz DGQCAASDVKQZFS-NSHDSACASA-N 1 2 278.356 0.149 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCCCNC1=O ZINC000784340229 581380825 /nfs/dbraw/zinc/38/08/25/581380825.db2.gz DGQCAASDVKQZFS-NSHDSACASA-N 1 2 278.356 0.149 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000784365977 581381597 /nfs/dbraw/zinc/38/15/97/581381597.db2.gz QNWZSFYWAJEINX-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000784365977 581381598 /nfs/dbraw/zinc/38/15/98/581381598.db2.gz QNWZSFYWAJEINX-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795130082 581399349 /nfs/dbraw/zinc/39/93/49/581399349.db2.gz KGEHTGQEQNJSOI-NEPJUHHUSA-N 1 2 267.398 0.289 20 30 CCEDLO C=C[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)C(=O)OC ZINC000795340968 581404460 /nfs/dbraw/zinc/40/44/60/581404460.db2.gz ZVICKYNTKJUEQI-LLVKDONJSA-N 1 2 270.329 0.782 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000796383188 581439200 /nfs/dbraw/zinc/43/92/00/581439200.db2.gz FUHZFPKHNDKWLJ-UHFFFAOYSA-N 1 2 276.336 0.899 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000796383188 581439202 /nfs/dbraw/zinc/43/92/02/581439202.db2.gz FUHZFPKHNDKWLJ-UHFFFAOYSA-N 1 2 276.336 0.899 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000796430606 581440207 /nfs/dbraw/zinc/44/02/07/581440207.db2.gz NXOUZLMOKQODLL-UHFFFAOYSA-N 1 2 258.321 0.939 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000796430606 581440208 /nfs/dbraw/zinc/44/02/08/581440208.db2.gz NXOUZLMOKQODLL-UHFFFAOYSA-N 1 2 258.321 0.939 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@@]2(CCCOC2)O1 ZINC000796609991 581446170 /nfs/dbraw/zinc/44/61/70/581446170.db2.gz DBROLZAOVFVCHT-GXTWGEPZSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)C[C@@]2(CCCOC2)O1 ZINC000796609991 581446173 /nfs/dbraw/zinc/44/61/73/581446173.db2.gz DBROLZAOVFVCHT-GXTWGEPZSA-N 1 2 281.356 0.286 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)[C@H]1C ZINC000787245780 581462484 /nfs/dbraw/zinc/46/24/84/581462484.db2.gz PBMYCWBTFNBPRT-RYUDHWBXSA-N 1 2 289.335 0.869 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)[C@H]1C ZINC000787245780 581462486 /nfs/dbraw/zinc/46/24/86/581462486.db2.gz PBMYCWBTFNBPRT-RYUDHWBXSA-N 1 2 289.335 0.869 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc(CO)c1 ZINC000765309177 581508782 /nfs/dbraw/zinc/50/87/82/581508782.db2.gz SKMFDOIRLDTXQX-ZDUSSCGKSA-N 1 2 259.309 0.610 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(CO)c1 ZINC000765309177 581508784 /nfs/dbraw/zinc/50/87/84/581508784.db2.gz SKMFDOIRLDTXQX-ZDUSSCGKSA-N 1 2 259.309 0.610 20 30 CCEDLO N#Cc1cccc(OCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000733955873 581534436 /nfs/dbraw/zinc/53/44/36/581534436.db2.gz QTAYVXBFIUTLSD-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)C(C)(C)CO1 ZINC000734485712 581565955 /nfs/dbraw/zinc/56/59/55/581565955.db2.gz QKJMVUAAXWOFJV-UHFFFAOYSA-N 1 2 253.346 0.906 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)C(C)(C)CO1 ZINC000734485712 581565957 /nfs/dbraw/zinc/56/59/57/581565957.db2.gz QKJMVUAAXWOFJV-UHFFFAOYSA-N 1 2 253.346 0.906 20 30 CCEDLO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCOC1 ZINC000766620861 581573811 /nfs/dbraw/zinc/57/38/11/581573811.db2.gz XZYPLPJKCOVVQF-LBPRGKRZSA-N 1 2 273.336 0.887 20 30 CCEDLO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCOC1 ZINC000766620861 581573815 /nfs/dbraw/zinc/57/38/15/581573815.db2.gz XZYPLPJKCOVVQF-LBPRGKRZSA-N 1 2 273.336 0.887 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000766845688 581583378 /nfs/dbraw/zinc/58/33/78/581583378.db2.gz DXZSXWOUBYKJIB-UHFFFAOYSA-N 1 2 291.311 0.109 20 30 CCEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n(C)c(=O)n1C ZINC000739915310 581634287 /nfs/dbraw/zinc/63/42/87/581634287.db2.gz YDNOPOFOBZHDGH-UHFFFAOYSA-N 1 2 278.356 0.456 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n(C)c(=O)n1C ZINC000739915310 581634290 /nfs/dbraw/zinc/63/42/90/581634290.db2.gz YDNOPOFOBZHDGH-UHFFFAOYSA-N 1 2 278.356 0.456 20 30 CCEDLO CC[C@@H](C)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755499749 581642900 /nfs/dbraw/zinc/64/29/00/581642900.db2.gz SSJZZWFDTNDHGY-LLVKDONJSA-N 1 2 272.418 0.815 20 30 CCEDLO C#CC[N@@H+](CCS(N)(=O)=O)[C@H]1CCc2ccccc21 ZINC000735920673 581674466 /nfs/dbraw/zinc/67/44/66/581674466.db2.gz WXKJFIOZKHCNEG-AWEZNQCLSA-N 1 2 278.377 0.898 20 30 CCEDLO C#CC[N@H+](CCS(N)(=O)=O)[C@H]1CCc2ccccc21 ZINC000735920673 581674469 /nfs/dbraw/zinc/67/44/69/581674469.db2.gz WXKJFIOZKHCNEG-AWEZNQCLSA-N 1 2 278.377 0.898 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(C)o1 ZINC000769209275 581676607 /nfs/dbraw/zinc/67/66/07/581676607.db2.gz PYEGPMDLHMTIHS-ONGXEEELSA-N 1 2 262.313 0.653 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(C)o1 ZINC000769209275 581676611 /nfs/dbraw/zinc/67/66/11/581676611.db2.gz PYEGPMDLHMTIHS-ONGXEEELSA-N 1 2 262.313 0.653 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000730262288 581688032 /nfs/dbraw/zinc/68/80/32/581688032.db2.gz RRXRPXCKSBHWSI-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000730262288 581688035 /nfs/dbraw/zinc/68/80/35/581688035.db2.gz RRXRPXCKSBHWSI-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC(C3OCCO3)CC2)c1=O ZINC000758222149 581728431 /nfs/dbraw/zinc/72/84/31/581728431.db2.gz HRDZFOPNEVISLW-UHFFFAOYSA-N 1 2 289.335 0.762 20 30 CCEDLO C#CCNC(=S)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000758922064 581775981 /nfs/dbraw/zinc/77/59/81/581775981.db2.gz IVVGUIYCTGGTOT-UHFFFAOYSA-N 1 2 275.381 0.415 20 30 CCEDLO CC(CS(C)(=O)=O)=NNCC[NH+]1CCCCC1 ZINC000732528187 581833467 /nfs/dbraw/zinc/83/34/67/581833467.db2.gz FFIHSQOJOABTKO-UHFFFAOYSA-N 1 2 261.391 0.482 20 30 CCEDLO C#CCOCCNc1cc(NCCOCC#C)[nH+]cn1 ZINC000772162355 581845469 /nfs/dbraw/zinc/84/54/69/581845469.db2.gz SZEXPVIUUVSQCJ-UHFFFAOYSA-N 1 2 274.324 0.600 20 30 CCEDLO O=C1CN(N=Cc2ccc(-n3cc[nH+]c3)cc2)C(=O)N1 ZINC000744810417 581853552 /nfs/dbraw/zinc/85/35/52/581853552.db2.gz OXXSPXVTAZZCKM-UHFFFAOYSA-N 1 2 269.264 0.758 20 30 CCEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)CCC#N ZINC000745078248 581864194 /nfs/dbraw/zinc/86/41/94/581864194.db2.gz CADVKRAOKUUXEP-VXGBXAGGSA-N 1 2 281.356 0.774 20 30 CCEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)CCC#N ZINC000745078248 581864197 /nfs/dbraw/zinc/86/41/97/581864197.db2.gz CADVKRAOKUUXEP-VXGBXAGGSA-N 1 2 281.356 0.774 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)CC1 ZINC000733161239 581868997 /nfs/dbraw/zinc/86/89/97/581868997.db2.gz KEKUPULFMROJCV-UHFFFAOYSA-N 1 2 296.334 0.053 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761072838 581885755 /nfs/dbraw/zinc/88/57/55/581885755.db2.gz FINWNCKBYQGBMQ-NWDGAFQWSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761072838 581885757 /nfs/dbraw/zinc/88/57/57/581885757.db2.gz FINWNCKBYQGBMQ-NWDGAFQWSA-N 1 2 252.362 0.383 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000745800537 581886319 /nfs/dbraw/zinc/88/63/19/581886319.db2.gz BLHDCEIMRJVDLP-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000745800537 581886320 /nfs/dbraw/zinc/88/63/20/581886320.db2.gz BLHDCEIMRJVDLP-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C[C@H]1CC(=O)N(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000733290577 581897614 /nfs/dbraw/zinc/89/76/14/581897614.db2.gz YQBTUNAUBIZHHY-ZDUSSCGKSA-N 1 2 299.378 0.901 20 30 CCEDLO C#C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773367047 581924267 /nfs/dbraw/zinc/92/42/67/581924267.db2.gz RQKZGAYSACFZHU-NEPJUHHUSA-N 1 2 262.313 0.363 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H]1CCCO1 ZINC000773372645 581925019 /nfs/dbraw/zinc/92/50/19/581925019.db2.gz AVZDOKIBAZXKNB-RDBSUJKOSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H]1CCCO1 ZINC000773372645 581925022 /nfs/dbraw/zinc/92/50/22/581925022.db2.gz AVZDOKIBAZXKNB-RDBSUJKOSA-N 1 2 295.383 0.187 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000747381415 581938526 /nfs/dbraw/zinc/93/85/26/581938526.db2.gz QNRLSMIFSAUWIJ-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000747381415 581938527 /nfs/dbraw/zinc/93/85/27/581938527.db2.gz QNRLSMIFSAUWIJ-CQSZACIVSA-N 1 2 272.348 0.875 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000737860192 582003577 /nfs/dbraw/zinc/00/35/77/582003577.db2.gz NLPCZHZQHOPNHR-UHFFFAOYSA-N 1 2 299.290 0.406 20 30 CCEDLO C[C@@]([NH2+]CC(=O)NCCC#N)(C(N)=O)c1ccccc1 ZINC000749397229 582007103 /nfs/dbraw/zinc/00/71/03/582007103.db2.gz XXROLAIPHZWHCJ-AWEZNQCLSA-N 1 2 274.324 0.007 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000775481750 582026461 /nfs/dbraw/zinc/02/64/61/582026461.db2.gz WHGMBKNTSLXFLH-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764200875 582035820 /nfs/dbraw/zinc/03/58/20/582035820.db2.gz BLCOAMIVWGLYTG-GFCCVEGCSA-N 1 2 267.373 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764200875 582035821 /nfs/dbraw/zinc/03/58/21/582035821.db2.gz BLCOAMIVWGLYTG-GFCCVEGCSA-N 1 2 267.373 0.643 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2coc(COC)n2)CC1 ZINC000775825365 582041840 /nfs/dbraw/zinc/04/18/40/582041840.db2.gz BPXZNKUDYAOSHG-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)NCCC#N ZINC000752095126 582101204 /nfs/dbraw/zinc/10/12/04/582101204.db2.gz UBYMMRRQZRWYKO-KGLIPLIRSA-N 1 2 294.399 0.738 20 30 CCEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)NCCC#N ZINC000752095126 582101206 /nfs/dbraw/zinc/10/12/06/582101206.db2.gz UBYMMRRQZRWYKO-KGLIPLIRSA-N 1 2 294.399 0.738 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902244772 613114367 /nfs/dbraw/zinc/11/43/67/613114367.db2.gz YVMBQHNBDOVRKR-RWMBFGLXSA-N 1 2 250.342 0.925 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902244772 613114368 /nfs/dbraw/zinc/11/43/68/613114368.db2.gz YVMBQHNBDOVRKR-RWMBFGLXSA-N 1 2 250.342 0.925 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812020424 613113371 /nfs/dbraw/zinc/11/33/71/613113371.db2.gz AZUIOAYZFYMUKF-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812020424 613113372 /nfs/dbraw/zinc/11/33/72/613113372.db2.gz AZUIOAYZFYMUKF-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC(C)(C)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000882129720 612945748 /nfs/dbraw/zinc/94/57/48/612945748.db2.gz AFLKBMFTVFGUDU-UHFFFAOYSA-N 1 2 255.343 0.557 20 30 CCEDLO C#CC(C)(C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000881890311 612945990 /nfs/dbraw/zinc/94/59/90/612945990.db2.gz OLAXSKJEZVSEMK-UHFFFAOYSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000851873357 613011524 /nfs/dbraw/zinc/01/15/24/613011524.db2.gz VYNWPBZGADLTFA-GJZGRUSLSA-N 1 2 266.385 0.679 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247680 617179499 /nfs/dbraw/zinc/17/94/99/617179499.db2.gz VOLRYDZOBPFSTM-RISCZKNCSA-N 1 2 259.357 0.421 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247680 617179500 /nfs/dbraw/zinc/17/95/00/617179500.db2.gz VOLRYDZOBPFSTM-RISCZKNCSA-N 1 2 259.357 0.421 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000931150750 612953067 /nfs/dbraw/zinc/95/30/67/612953067.db2.gz IAKHABXTVDEZNM-JTQLQIEISA-N 1 2 265.313 0.737 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852105425 613047031 /nfs/dbraw/zinc/04/70/31/613047031.db2.gz BFSOEGAEHUNVAB-LBPRGKRZSA-N 1 2 251.330 0.126 20 30 CCEDLO C#CCC(CC#C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000857295075 612966808 /nfs/dbraw/zinc/96/68/08/612966808.db2.gz FTMBWFUKNMZFAY-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CC1(O)C[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000934450965 612960897 /nfs/dbraw/zinc/96/08/97/612960897.db2.gz XCCZPDCBYAEWMA-CYBMUJFWSA-N 1 2 278.396 0.951 20 30 CCEDLO C#CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000878763412 612964663 /nfs/dbraw/zinc/96/46/63/612964663.db2.gz BQZYLAOROHMCDA-UHFFFAOYSA-N 1 2 257.297 0.263 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870064374 612965333 /nfs/dbraw/zinc/96/53/33/612965333.db2.gz KTBNSUJIFFJCGR-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CCC1(O)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000883035900 612971719 /nfs/dbraw/zinc/97/17/19/612971719.db2.gz SHKILDVFPBMAJJ-UHFFFAOYSA-N 1 2 290.367 0.833 20 30 CCEDLO C#CCCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000155126142 612977467 /nfs/dbraw/zinc/97/74/67/612977467.db2.gz MHOFLUWNCSNMHW-UHFFFAOYSA-N 1 2 267.373 0.764 20 30 CCEDLO C#CCOCC[N@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000852155363 612983285 /nfs/dbraw/zinc/98/32/85/612983285.db2.gz FVYQSVKQADFYDU-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000852155363 612983287 /nfs/dbraw/zinc/98/32/87/612983287.db2.gz FVYQSVKQADFYDU-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C#CCOCC[N@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000852155363 612983289 /nfs/dbraw/zinc/98/32/89/612983289.db2.gz FVYQSVKQADFYDU-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000852155363 612983291 /nfs/dbraw/zinc/98/32/91/612983291.db2.gz FVYQSVKQADFYDU-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C#CCONC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000855606218 612992084 /nfs/dbraw/zinc/99/20/84/612992084.db2.gz CZLPOVNAQKZITR-UHFFFAOYSA-N 1 2 288.351 0.275 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2N)C1 ZINC000949937302 612992773 /nfs/dbraw/zinc/99/27/73/612992773.db2.gz HLCKTEPGNJHKRK-UHFFFAOYSA-N 1 2 275.356 0.172 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000823128562 613002933 /nfs/dbraw/zinc/00/29/33/613002933.db2.gz DMSQRJCOHLTNRK-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)ncn2)CC1 ZINC000931344288 613010686 /nfs/dbraw/zinc/01/06/86/613010686.db2.gz IHEUJOPOVNGTDJ-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C#CC[C@@H](CO)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000895490141 613030160 /nfs/dbraw/zinc/03/01/60/613030160.db2.gz MWJSYXXQKSGPJF-QMMMGPOBSA-N 1 2 254.311 0.404 20 30 CCEDLO C#CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)OC ZINC000894985681 613043389 /nfs/dbraw/zinc/04/33/89/613043389.db2.gz MPJWUBOMMUXBND-QWHCGFSZSA-N 1 2 281.352 0.869 20 30 CCEDLO C#CC[C@@H]1NC(=O)N([C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000927559768 613048588 /nfs/dbraw/zinc/04/85/88/613048588.db2.gz HKHMVLBDECGVNU-RYUDHWBXSA-N 1 2 284.319 0.604 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858949265 613050600 /nfs/dbraw/zinc/05/06/00/613050600.db2.gz LZGFSTLSLSKWHZ-RYUDHWBXSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000858373350 613051761 /nfs/dbraw/zinc/05/17/61/613051761.db2.gz CQNKESCIKLOPDR-OLZOCXBDSA-N 1 2 290.367 0.926 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000863779965 613052304 /nfs/dbraw/zinc/05/23/04/613052304.db2.gz VAZMWHPEJIHOMD-QWHCGFSZSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854542926 613053826 /nfs/dbraw/zinc/05/38/26/613053826.db2.gz SPNZMGTUSPWFLX-OAHLLOKOSA-N 1 2 297.358 0.974 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000798352517 613062079 /nfs/dbraw/zinc/06/20/79/613062079.db2.gz LFHWJWKVCPTWSB-NEPJUHHUSA-N 1 2 264.329 0.345 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000875927368 613063224 /nfs/dbraw/zinc/06/32/24/613063224.db2.gz JTAQRKDWKJUKKK-MGPQQGTHSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000875927368 613063225 /nfs/dbraw/zinc/06/32/25/613063225.db2.gz JTAQRKDWKJUKKK-MGPQQGTHSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)C1CC1 ZINC000925596818 613068070 /nfs/dbraw/zinc/06/80/70/613068070.db2.gz TXOFLVYEVJTYPV-CYBMUJFWSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000972008870 613090571 /nfs/dbraw/zinc/09/05/71/613090571.db2.gz LCIJSFDHRAYZIX-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000972008870 613090572 /nfs/dbraw/zinc/09/05/72/613090572.db2.gz LCIJSFDHRAYZIX-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1CCOCC1 ZINC000852343662 613096923 /nfs/dbraw/zinc/09/69/23/613096923.db2.gz FRCUNTGCHQVRAH-CYBMUJFWSA-N 1 2 276.340 0.648 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)C1 ZINC000941304395 613114914 /nfs/dbraw/zinc/11/49/14/613114914.db2.gz MIKPEFSKEQAXHW-HNNXBMFYSA-N 1 2 287.407 0.804 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875723636 613117200 /nfs/dbraw/zinc/11/72/00/613117200.db2.gz OUMLWPPBEYGXEX-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875723636 613117201 /nfs/dbraw/zinc/11/72/01/613117201.db2.gz OUMLWPPBEYGXEX-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000854072303 613120074 /nfs/dbraw/zinc/12/00/74/613120074.db2.gz BVBSLPGYLGFHDB-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccns2)CC1 ZINC000921437116 613138603 /nfs/dbraw/zinc/13/86/03/613138603.db2.gz NCYJOBCJKCSSRV-UHFFFAOYSA-N 1 2 285.394 0.519 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@H]1CCCO1 ZINC000865531044 613150829 /nfs/dbraw/zinc/15/08/29/613150829.db2.gz FDRFJDARBOVXKP-VHDGCEQUSA-N 1 2 290.367 0.585 20 30 CCEDLO C#CCN1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549317 613166734 /nfs/dbraw/zinc/16/67/34/613166734.db2.gz HRBLTLNJYLYUHD-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000923549317 613166737 /nfs/dbraw/zinc/16/67/37/613166737.db2.gz HRBLTLNJYLYUHD-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000923549317 613166739 /nfs/dbraw/zinc/16/67/39/613166739.db2.gz HRBLTLNJYLYUHD-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2noc(COC)n2)C1 ZINC000902729313 613175004 /nfs/dbraw/zinc/17/50/04/613175004.db2.gz GZAYEGJILHDIOY-SNVBAGLBSA-N 1 2 278.312 0.043 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2noc(COC)n2)C1 ZINC000902729313 613175006 /nfs/dbraw/zinc/17/50/06/613175006.db2.gz GZAYEGJILHDIOY-SNVBAGLBSA-N 1 2 278.312 0.043 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCF)C1 ZINC000885511771 613175865 /nfs/dbraw/zinc/17/58/65/613175865.db2.gz MICGJQIPQWIDDI-LLVKDONJSA-N 1 2 262.350 0.363 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCF)C1 ZINC000885511771 613175866 /nfs/dbraw/zinc/17/58/66/613175866.db2.gz MICGJQIPQWIDDI-LLVKDONJSA-N 1 2 262.350 0.363 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CC(C)C)C1 ZINC000885511543 613176050 /nfs/dbraw/zinc/17/60/50/613176050.db2.gz JBMFXVOEEMBURK-CYBMUJFWSA-N 1 2 287.429 0.506 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)CC(C)C)C1 ZINC000885511543 613176052 /nfs/dbraw/zinc/17/60/52/613176052.db2.gz JBMFXVOEEMBURK-CYBMUJFWSA-N 1 2 287.429 0.506 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)N2CC[NH+](CC)CC2)C1 ZINC000890376344 613183933 /nfs/dbraw/zinc/18/39/33/613183933.db2.gz FFYWPTNMFAKIRI-AWEZNQCLSA-N 1 2 278.400 0.431 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000884263208 613187245 /nfs/dbraw/zinc/18/72/45/613187245.db2.gz FXTRZDAGDALVPE-ZKTNFTSUSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000884263208 613187247 /nfs/dbraw/zinc/18/72/47/613187247.db2.gz FXTRZDAGDALVPE-ZKTNFTSUSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000923554601 613190860 /nfs/dbraw/zinc/19/08/60/613190860.db2.gz JUXDWZFIKHZAGT-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000923554601 613190861 /nfs/dbraw/zinc/19/08/61/613190861.db2.gz JUXDWZFIKHZAGT-JTQLQIEISA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(C)cc2O)C1 ZINC000923565282 613192116 /nfs/dbraw/zinc/19/21/16/613192116.db2.gz FLJTUCFMEYHFPH-LBPRGKRZSA-N 1 2 273.336 0.923 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(C)cc2O)C1 ZINC000923565282 613192117 /nfs/dbraw/zinc/19/21/17/613192117.db2.gz FLJTUCFMEYHFPH-LBPRGKRZSA-N 1 2 273.336 0.923 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000885509493 613192887 /nfs/dbraw/zinc/19/28/87/613192887.db2.gz UHNHXWRLHFYISL-ZDUSSCGKSA-N 1 2 297.424 0.943 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000885509493 613192889 /nfs/dbraw/zinc/19/28/89/613192889.db2.gz UHNHXWRLHFYISL-ZDUSSCGKSA-N 1 2 297.424 0.943 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000929697501 613195032 /nfs/dbraw/zinc/19/50/32/613195032.db2.gz YRFJQIRIGHFGSD-UHFFFAOYSA-N 1 2 285.347 0.771 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000929697501 613195035 /nfs/dbraw/zinc/19/50/35/613195035.db2.gz YRFJQIRIGHFGSD-UHFFFAOYSA-N 1 2 285.347 0.771 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000971703390 613195612 /nfs/dbraw/zinc/19/56/12/613195612.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000971703390 613195613 /nfs/dbraw/zinc/19/56/13/613195613.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)OCC ZINC000862619232 613198765 /nfs/dbraw/zinc/19/87/65/613198765.db2.gz XQSWZFVVXNZSKD-LBPRGKRZSA-N 1 2 281.356 0.000 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)OCC ZINC000862619232 613198767 /nfs/dbraw/zinc/19/87/67/613198767.db2.gz XQSWZFVVXNZSKD-LBPRGKRZSA-N 1 2 281.356 0.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CSC[C@H]1C ZINC000804505053 613201491 /nfs/dbraw/zinc/20/14/91/613201491.db2.gz XFLPJWOPGRYYEQ-UTUOFQBUSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CSC[C@H]1C ZINC000804505053 613201493 /nfs/dbraw/zinc/20/14/93/613201493.db2.gz XFLPJWOPGRYYEQ-UTUOFQBUSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C(=O)NCC)C(C)C ZINC000817852707 613201950 /nfs/dbraw/zinc/20/19/50/613201950.db2.gz UMCXKHUGQWYLAS-STQMWFEESA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C(=O)NCC)C(C)C ZINC000817852707 613201951 /nfs/dbraw/zinc/20/19/51/613201951.db2.gz UMCXKHUGQWYLAS-STQMWFEESA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nccc(N)n1 ZINC000854758935 613202141 /nfs/dbraw/zinc/20/21/41/613202141.db2.gz CGPMBROTKMFCTJ-MNOVXSKESA-N 1 2 273.340 0.334 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nccc(N)n1 ZINC000854758935 613202142 /nfs/dbraw/zinc/20/21/42/613202142.db2.gz CGPMBROTKMFCTJ-MNOVXSKESA-N 1 2 273.340 0.334 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972205054 613210825 /nfs/dbraw/zinc/21/08/25/613210825.db2.gz XJNCMPADJGMGNV-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972205054 613210826 /nfs/dbraw/zinc/21/08/26/613210826.db2.gz XJNCMPADJGMGNV-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972325741 613211520 /nfs/dbraw/zinc/21/15/20/613211520.db2.gz ZGXGPSYYSRVPHZ-HWMZRRJGSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972325741 613211522 /nfs/dbraw/zinc/21/15/22/613211522.db2.gz ZGXGPSYYSRVPHZ-HWMZRRJGSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230327 613212617 /nfs/dbraw/zinc/21/26/17/613212617.db2.gz KRVKBHRTKHRJJN-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230327 613212619 /nfs/dbraw/zinc/21/26/19/613212619.db2.gz KRVKBHRTKHRJJN-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000798295303 613212668 /nfs/dbraw/zinc/21/26/68/613212668.db2.gz RUOXCSKLZFJWGQ-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931199162 613293321 /nfs/dbraw/zinc/29/33/21/613293321.db2.gz CPEAQFIRBAJWON-UHFFFAOYSA-N 1 2 292.383 0.908 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931199162 613293324 /nfs/dbraw/zinc/29/33/24/613293324.db2.gz CPEAQFIRBAJWON-UHFFFAOYSA-N 1 2 292.383 0.908 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)n2C)C1 ZINC000957432043 613296799 /nfs/dbraw/zinc/29/67/99/613296799.db2.gz PAORAABMMRDHHM-UHFFFAOYSA-N 1 2 292.383 0.446 20 30 CCEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC000969738607 613301848 /nfs/dbraw/zinc/30/18/48/613301848.db2.gz HDMPCDGOOJEUKI-JTQLQIEISA-N 1 2 286.397 0.044 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000949231717 613321319 /nfs/dbraw/zinc/32/13/19/613321319.db2.gz CUCFLHRSLBOYJA-UHFFFAOYSA-N 1 2 275.352 0.719 20 30 CCEDLO C#CCNc1nc(N(C)[C@@H](C)C#C)nc(N(C)[C@@H](C)C#C)[nH+]1 ZINC000804660172 613322262 /nfs/dbraw/zinc/32/22/62/613322262.db2.gz FHKMQKPLAJWMNO-STQMWFEESA-N 1 2 296.378 0.254 20 30 CCEDLO C#CCNc1nc(N(C)[C@@H](C)C#C)[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000804660172 613322264 /nfs/dbraw/zinc/32/22/64/613322264.db2.gz FHKMQKPLAJWMNO-STQMWFEESA-N 1 2 296.378 0.254 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000827837120 613323599 /nfs/dbraw/zinc/32/35/99/613323599.db2.gz BMHGSIJDMHQYKW-UHFFFAOYSA-N 1 2 282.347 0.915 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000883274460 613357405 /nfs/dbraw/zinc/35/74/05/613357405.db2.gz KTYWKWPLLMMLPW-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000883274460 613357406 /nfs/dbraw/zinc/35/74/06/613357406.db2.gz KTYWKWPLLMMLPW-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118190 613357691 /nfs/dbraw/zinc/35/76/91/613357691.db2.gz QBAKHXWKQOEQOG-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543825 613360289 /nfs/dbraw/zinc/36/02/89/613360289.db2.gz KBAGZEWZVCULSO-OLZOCXBDSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543825 613360290 /nfs/dbraw/zinc/36/02/90/613360290.db2.gz KBAGZEWZVCULSO-OLZOCXBDSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@H](CO)c1c[nH+]cn1C)OCC ZINC000898890318 613362301 /nfs/dbraw/zinc/36/23/01/613362301.db2.gz XHKXVOUZXPXRTR-YPMHNXCESA-N 1 2 281.356 0.941 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H](CO)c1c[nH+]cn1C)OCC ZINC000898890315 613362317 /nfs/dbraw/zinc/36/23/17/613362317.db2.gz XHKXVOUZXPXRTR-AAEUAGOBSA-N 1 2 281.356 0.941 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970340409 613371798 /nfs/dbraw/zinc/37/17/98/613371798.db2.gz PCXBGPYGCAMPSG-SECBINFHSA-N 1 2 296.758 0.573 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872191 613373287 /nfs/dbraw/zinc/37/32/87/613373287.db2.gz FHOWMEQJNSOPMS-UHFFFAOYSA-N 1 2 259.737 0.149 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872191 613373288 /nfs/dbraw/zinc/37/32/88/613373288.db2.gz FHOWMEQJNSOPMS-UHFFFAOYSA-N 1 2 259.737 0.149 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000957960022 613380060 /nfs/dbraw/zinc/38/00/60/613380060.db2.gz AUNXPEMDRVOUFZ-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000957960022 613380061 /nfs/dbraw/zinc/38/00/61/613380061.db2.gz AUNXPEMDRVOUFZ-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041739 613380222 /nfs/dbraw/zinc/38/02/22/613380222.db2.gz NYZGPRYBJUSIKV-WDEREUQCSA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041739 613380223 /nfs/dbraw/zinc/38/02/23/613380223.db2.gz NYZGPRYBJUSIKV-WDEREUQCSA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974908689 613380911 /nfs/dbraw/zinc/38/09/11/613380911.db2.gz BXCNGTVZGAWXBE-QWRGUYRKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974908689 613380912 /nfs/dbraw/zinc/38/09/12/613380912.db2.gz BXCNGTVZGAWXBE-QWRGUYRKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 ZINC000958498900 613381339 /nfs/dbraw/zinc/38/13/39/613381339.db2.gz IYFXCKFXDNXYEB-MNOVXSKESA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 ZINC000958498900 613381340 /nfs/dbraw/zinc/38/13/40/613381340.db2.gz IYFXCKFXDNXYEB-MNOVXSKESA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000969827654 613385785 /nfs/dbraw/zinc/38/57/85/613385785.db2.gz SBRWSTLFOOXUKD-SECBINFHSA-N 1 2 284.747 0.682 20 30 CCEDLO C=C1CCC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913558061 613405127 /nfs/dbraw/zinc/40/51/27/613405127.db2.gz INYIXDQKNMPBKB-CYBMUJFWSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C1CCC(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913558061 613405129 /nfs/dbraw/zinc/40/51/29/613405129.db2.gz INYIXDQKNMPBKB-CYBMUJFWSA-N 1 2 252.358 0.868 20 30 CCEDLO C=CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)C(=O)OC ZINC000905781341 613405487 /nfs/dbraw/zinc/40/54/87/613405487.db2.gz VWYBMFJWTKSHRM-YPMHNXCESA-N 1 2 257.330 0.625 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897649033 613418016 /nfs/dbraw/zinc/41/80/16/613418016.db2.gz MUIPFHHUZUKCGU-ZWNOBZJWSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897649033 613418017 /nfs/dbraw/zinc/41/80/17/613418017.db2.gz MUIPFHHUZUKCGU-ZWNOBZJWSA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@H]([NH2+]CC(C)(C)C(=O)NCC)C(=O)OC ZINC000905766026 613419087 /nfs/dbraw/zinc/41/90/87/613419087.db2.gz GNRRLZQMXNKGGZ-JTQLQIEISA-N 1 2 256.346 0.856 20 30 CCEDLO C=CC[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)OC ZINC000878410735 613420383 /nfs/dbraw/zinc/42/03/83/613420383.db2.gz AEBAUQMOXZUNIV-NWDGAFQWSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CC[C@H]1CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000890558021 613422589 /nfs/dbraw/zinc/42/25/89/613422589.db2.gz LAXZOSCKEZPHAM-STQMWFEESA-N 1 2 251.374 0.799 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000969587632 613436275 /nfs/dbraw/zinc/43/62/75/613436275.db2.gz VFELJONHPVEEDJ-SNVBAGLBSA-N 1 2 293.371 0.011 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585676 613441890 /nfs/dbraw/zinc/44/18/90/613441890.db2.gz SNPKADZUWXQFJG-NEPJUHHUSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585676 613441893 /nfs/dbraw/zinc/44/18/93/613441893.db2.gz SNPKADZUWXQFJG-NEPJUHHUSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000932526991 613448712 /nfs/dbraw/zinc/44/87/12/613448712.db2.gz NSUYCWSKAOQEBE-STQMWFEESA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000932526991 613448713 /nfs/dbraw/zinc/44/87/13/613448713.db2.gz NSUYCWSKAOQEBE-STQMWFEESA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@@H](NCC[N@H+]1CCOC[C@@H]1CC)C(=O)OC ZINC000871937296 613448931 /nfs/dbraw/zinc/44/89/31/613448931.db2.gz CHLCZVOTDKEGOG-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@@H](NCC[N@@H+]1CCOC[C@@H]1CC)C(=O)OC ZINC000871937296 613448933 /nfs/dbraw/zinc/44/89/33/613448933.db2.gz CHLCZVOTDKEGOG-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC(C)(C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000891264090 613449469 /nfs/dbraw/zinc/44/94/69/613449469.db2.gz MDXNLVQNFFHXQU-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000951785663 613461907 /nfs/dbraw/zinc/46/19/07/613461907.db2.gz YYVVNJMQFGWZPS-OLZOCXBDSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCOC)C1 ZINC000951785193 613461972 /nfs/dbraw/zinc/46/19/72/613461972.db2.gz BXWLMLQJROWLPN-KGLIPLIRSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061755 613465144 /nfs/dbraw/zinc/46/51/44/613465144.db2.gz NCXQPJJPDDNEPI-OLZOCXBDSA-N 1 2 296.367 0.143 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061755 613465147 /nfs/dbraw/zinc/46/51/47/613465147.db2.gz NCXQPJJPDDNEPI-OLZOCXBDSA-N 1 2 296.367 0.143 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928652414 613480521 /nfs/dbraw/zinc/48/05/21/613480521.db2.gz YWICFHRFJBYCET-GXTWGEPZSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873139079 613492537 /nfs/dbraw/zinc/49/25/37/613492537.db2.gz STXWHUTUCRXAAE-CYBMUJFWSA-N 1 2 288.351 0.972 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865632922 613492638 /nfs/dbraw/zinc/49/26/38/613492638.db2.gz VGNMNMWEXTXCKH-PWSUYJOCSA-N 1 2 252.318 0.094 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875505717 613522317 /nfs/dbraw/zinc/52/23/17/613522317.db2.gz SXFLGRFRTIBZSF-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875505717 613522319 /nfs/dbraw/zinc/52/23/19/613522319.db2.gz SXFLGRFRTIBZSF-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCN(C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908450641 613524517 /nfs/dbraw/zinc/52/45/17/613524517.db2.gz MJSUAPHBMHQVHL-UHFFFAOYSA-N 1 2 289.379 0.916 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000941372996 613528973 /nfs/dbraw/zinc/52/89/73/613528973.db2.gz QQJDETIXVXYAJK-UHFFFAOYSA-N 1 2 287.407 0.948 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000970686931 613532405 /nfs/dbraw/zinc/53/24/05/613532405.db2.gz UPQSAEKBNCSFDJ-GFCCVEGCSA-N 1 2 287.363 0.757 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913444953 613578995 /nfs/dbraw/zinc/57/89/95/613578995.db2.gz ICYVNTLUEIMTDZ-YPMHNXCESA-N 1 2 278.356 0.864 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nn1 ZINC000860167475 613598499 /nfs/dbraw/zinc/59/84/99/613598499.db2.gz IVBJJKNUSPYGAN-ZYHUDNBSSA-N 1 2 262.313 0.459 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)nn1 ZINC000860167475 613598501 /nfs/dbraw/zinc/59/85/01/613598501.db2.gz IVBJJKNUSPYGAN-ZYHUDNBSSA-N 1 2 262.313 0.459 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)C2CC2)nn1 ZINC000850326475 613599082 /nfs/dbraw/zinc/59/90/82/613599082.db2.gz NSQGSPKYFCQGQK-UHFFFAOYSA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)C(C)(C)C1 ZINC000977470524 613609530 /nfs/dbraw/zinc/60/95/30/613609530.db2.gz GAVDZKAGNJJADG-LLVKDONJSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)C(C)(C)C1 ZINC000977470524 613609533 /nfs/dbraw/zinc/60/95/33/613609533.db2.gz GAVDZKAGNJJADG-LLVKDONJSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@@H](C)COC ZINC000853533137 613650662 /nfs/dbraw/zinc/65/06/62/613650662.db2.gz VNMWTOGEPRMAGH-NSHDSACASA-N 1 2 297.355 0.668 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@@H](C)COC ZINC000853533137 613650663 /nfs/dbraw/zinc/65/06/63/613650663.db2.gz VNMWTOGEPRMAGH-NSHDSACASA-N 1 2 297.355 0.668 20 30 CCEDLO C=CC[N@@H+](CCOCCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000929976022 613650769 /nfs/dbraw/zinc/65/07/69/613650769.db2.gz LMUIYCUKMIDTNL-CYBMUJFWSA-N 1 2 291.413 0.715 20 30 CCEDLO C=CC[N@H+](CCOCCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000929976022 613650770 /nfs/dbraw/zinc/65/07/70/613650770.db2.gz LMUIYCUKMIDTNL-CYBMUJFWSA-N 1 2 291.413 0.715 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC000957129649 613653451 /nfs/dbraw/zinc/65/34/51/613653451.db2.gz GOZHOELGGCTXSY-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000950697586 613655007 /nfs/dbraw/zinc/65/50/07/613655007.db2.gz VIBUZHNIPPYCLI-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC000957432120 613655370 /nfs/dbraw/zinc/65/53/70/613655370.db2.gz SKBLSZNGWXXCMJ-CQSZACIVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000970369797 613666613 /nfs/dbraw/zinc/66/66/13/613666613.db2.gz WYNUCFYBCZAGCP-SECBINFHSA-N 1 2 264.329 0.362 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC2CCOCC2)CC1 ZINC000951130955 613708414 /nfs/dbraw/zinc/70/84/14/613708414.db2.gz UKRYXZQFRWKCJR-UHFFFAOYSA-N 1 2 268.357 0.512 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 ZINC000949862708 613710964 /nfs/dbraw/zinc/71/09/64/613710964.db2.gz KYAKDMDZMOKAOM-CYBMUJFWSA-N 1 2 288.395 0.855 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1 ZINC000957763297 613712288 /nfs/dbraw/zinc/71/22/88/613712288.db2.gz MILRBCVYDVNEPX-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000950347308 613713253 /nfs/dbraw/zinc/71/32/53/613713253.db2.gz NAIJFDLQLKYAQS-OLZOCXBDSA-N 1 2 252.358 0.989 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000957312110 613717337 /nfs/dbraw/zinc/71/73/37/613717337.db2.gz VLOFDMNSLYTUCH-UHFFFAOYSA-N 1 2 287.323 0.379 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)C1=O ZINC000863296355 613720981 /nfs/dbraw/zinc/72/09/81/613720981.db2.gz FHOZRNWSHUHUGJ-CQSZACIVSA-N 1 2 297.355 0.131 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)C1=O ZINC000863296355 613720983 /nfs/dbraw/zinc/72/09/83/613720983.db2.gz FHOZRNWSHUHUGJ-CQSZACIVSA-N 1 2 297.355 0.131 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972513979 613725138 /nfs/dbraw/zinc/72/51/38/613725138.db2.gz MNPOSPZTLUVOIN-OAHLLOKOSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972513979 613725139 /nfs/dbraw/zinc/72/51/39/613725139.db2.gz MNPOSPZTLUVOIN-OAHLLOKOSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cccn3)C2)C1 ZINC000972258881 613725581 /nfs/dbraw/zinc/72/55/81/613725581.db2.gz KKOJHGLPBUZNAF-OAHLLOKOSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cccn3)C2)C1 ZINC000972258881 613725583 /nfs/dbraw/zinc/72/55/83/613725583.db2.gz KKOJHGLPBUZNAF-OAHLLOKOSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000972612618 613725586 /nfs/dbraw/zinc/72/55/86/613725586.db2.gz VZPGSVLZZPCTML-OAHLLOKOSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000972612618 613725588 /nfs/dbraw/zinc/72/55/88/613725588.db2.gz VZPGSVLZZPCTML-OAHLLOKOSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 ZINC000972250226 613727172 /nfs/dbraw/zinc/72/71/72/613727172.db2.gz UYENDYRMMQYZIF-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 ZINC000972250226 613727175 /nfs/dbraw/zinc/72/71/75/613727175.db2.gz UYENDYRMMQYZIF-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1=O ZINC000798395987 613763608 /nfs/dbraw/zinc/76/36/08/613763608.db2.gz QEXFRBPFUDPWAH-GXSJLCMTSA-N 1 2 276.344 0.446 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCOC1 ZINC000884128642 613877374 /nfs/dbraw/zinc/87/73/74/613877374.db2.gz JSBHCXYQPQPPJE-RYUDHWBXSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000884461585 613877382 /nfs/dbraw/zinc/87/73/82/613877382.db2.gz ISTWRAMRPWHZIU-SDDRHHMPSA-N 1 2 279.340 0.584 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000884327149 613877438 /nfs/dbraw/zinc/87/74/38/613877438.db2.gz LATKOONWIWJJBC-SRVKXCTJSA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(C)on1 ZINC000884088015 613877444 /nfs/dbraw/zinc/87/74/44/613877444.db2.gz VMZDZJYJSVXVFH-NSHDSACASA-N 1 2 281.312 0.388 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(F)c1 ZINC000884067381 613878352 /nfs/dbraw/zinc/87/83/52/613878352.db2.gz FVHYHNWGFFHGBR-LBPRGKRZSA-N 1 2 280.299 0.889 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1csc(CC)n1 ZINC000884217344 613878533 /nfs/dbraw/zinc/87/85/33/613878533.db2.gz LTKWZWOHDRPPEN-JTQLQIEISA-N 1 2 297.380 0.768 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1OC ZINC000884387174 613878623 /nfs/dbraw/zinc/87/86/23/613878623.db2.gz LEIYEBABHOPTFX-QJPTWQEYSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000884145659 613878738 /nfs/dbraw/zinc/87/87/38/613878738.db2.gz PJNQOYRBJAWFKZ-DJIHRAIXSA-N 1 2 296.367 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000884458479 613878785 /nfs/dbraw/zinc/87/87/85/613878785.db2.gz GBKGAFJQHICNJX-VPOLOUISSA-N 1 2 270.329 0.115 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cscn1 ZINC000884401986 613878838 /nfs/dbraw/zinc/87/88/38/613878838.db2.gz HGKWFLDYEZACJM-BDAKNGLRSA-N 1 2 283.353 0.767 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000804146611 613882932 /nfs/dbraw/zinc/88/29/32/613882932.db2.gz BMFIZYASGCOGRL-GFCCVEGCSA-N 1 2 292.339 0.786 20 30 CCEDLO C=CCONC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854118262 613883659 /nfs/dbraw/zinc/88/36/59/613883659.db2.gz OUSOJTNRXOLBEU-NSHDSACASA-N 1 2 255.318 0.220 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000755890099 614069311 /nfs/dbraw/zinc/06/93/11/614069311.db2.gz POFGTUZEBCKDAF-VIFPVBQESA-N 1 2 259.375 0.784 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000755890099 614069313 /nfs/dbraw/zinc/06/93/13/614069313.db2.gz POFGTUZEBCKDAF-VIFPVBQESA-N 1 2 259.375 0.784 20 30 CCEDLO CC(C)C[C@@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865112869 614180068 /nfs/dbraw/zinc/18/00/68/614180068.db2.gz DMCTYJBETMYXBV-SCOBNMCVSA-N 1 2 265.357 0.929 20 30 CCEDLO CC[N@H+](CCC(=O)NC)Cc1nc(C#N)cs1 ZINC000933860414 615032053 /nfs/dbraw/zinc/03/20/53/615032053.db2.gz STJRRVVCEMQXSM-UHFFFAOYSA-N 1 2 252.343 0.973 20 30 CCEDLO CC[N@@H+](CCC(=O)NC)Cc1nc(C#N)cs1 ZINC000933860414 615032055 /nfs/dbraw/zinc/03/20/55/615032055.db2.gz STJRRVVCEMQXSM-UHFFFAOYSA-N 1 2 252.343 0.973 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 ZINC000805478829 615172604 /nfs/dbraw/zinc/17/26/04/615172604.db2.gz ZHNUJWRRNXGAJB-LLVKDONJSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 ZINC000805478829 615172605 /nfs/dbraw/zinc/17/26/05/615172605.db2.gz ZHNUJWRRNXGAJB-LLVKDONJSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474090 615173477 /nfs/dbraw/zinc/17/34/77/615173477.db2.gz NABAWEHYJXKSMP-VXGBXAGGSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 ZINC000805474090 615173478 /nfs/dbraw/zinc/17/34/78/615173478.db2.gz NABAWEHYJXKSMP-VXGBXAGGSA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCO[C@H](C)C#N)C1 ZINC000805471894 615185759 /nfs/dbraw/zinc/18/57/59/615185759.db2.gz XAMBEGIPWRGJBH-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCCO[C@H](C)C#N)C1 ZINC000805471894 615185760 /nfs/dbraw/zinc/18/57/60/615185760.db2.gz XAMBEGIPWRGJBH-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC000827157449 615252096 /nfs/dbraw/zinc/25/20/96/615252096.db2.gz BWCAXMHQRFGQSO-UHFFFAOYSA-N 1 2 252.358 0.827 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000865686094 615254497 /nfs/dbraw/zinc/25/44/97/615254497.db2.gz DHNCJCSUBUFWFZ-OAHLLOKOSA-N 1 2 295.383 0.487 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886081525 615304717 /nfs/dbraw/zinc/30/47/17/615304717.db2.gz RKRHSZAALVHZCM-OLZOCXBDSA-N 1 2 298.383 0.941 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886081525 615304719 /nfs/dbraw/zinc/30/47/19/615304719.db2.gz RKRHSZAALVHZCM-OLZOCXBDSA-N 1 2 298.383 0.941 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000933222254 615549818 /nfs/dbraw/zinc/54/98/18/615549818.db2.gz PPJKCIULBJLGOX-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000933222254 615549819 /nfs/dbraw/zinc/54/98/19/615549819.db2.gz PPJKCIULBJLGOX-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cncc(C#N)n1 ZINC000872773058 615569688 /nfs/dbraw/zinc/56/96/88/615569688.db2.gz DAAQIUUYJWKPLT-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1cncc(C#N)n1 ZINC000872773058 615569689 /nfs/dbraw/zinc/56/96/89/615569689.db2.gz DAAQIUUYJWKPLT-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059845 615599728 /nfs/dbraw/zinc/59/97/28/615599728.db2.gz ZYWFFVVOMUZQMM-OLZOCXBDSA-N 1 2 281.356 0.096 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000925599047 615716283 /nfs/dbraw/zinc/71/62/83/615716283.db2.gz WLANTMFUXDHAKS-TZMCWYRMSA-N 1 2 298.362 0.744 20 30 CCEDLO CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941347907 615776255 /nfs/dbraw/zinc/77/62/55/615776255.db2.gz GITZCZUPOUVYHO-STQMWFEESA-N 1 2 296.390 0.723 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040521 616040039 /nfs/dbraw/zinc/04/00/39/616040039.db2.gz QZUFDAOOILJOCG-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000930001280 616149140 /nfs/dbraw/zinc/14/91/40/616149140.db2.gz TVDVCBRBGSVIIM-GRYCIOLGSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000930001280 616149141 /nfs/dbraw/zinc/14/91/41/616149141.db2.gz TVDVCBRBGSVIIM-GRYCIOLGSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1CO ZINC000913546643 616230287 /nfs/dbraw/zinc/23/02/87/616230287.db2.gz UVSDMNQXFLITCD-HNNXBMFYSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1CO ZINC000913546643 616230288 /nfs/dbraw/zinc/23/02/88/616230288.db2.gz UVSDMNQXFLITCD-HNNXBMFYSA-N 1 2 299.374 0.990 20 30 CCEDLO COC(=O)/C=C(/C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000929774132 616307469 /nfs/dbraw/zinc/30/74/69/616307469.db2.gz IUTWZZNSJHIGGX-OWBHPGMISA-N 1 2 295.383 0.654 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986009 616394059 /nfs/dbraw/zinc/39/40/59/616394059.db2.gz WOHNPRVHKSXQSY-NEPJUHHUSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986009 616394061 /nfs/dbraw/zinc/39/40/61/616394061.db2.gz WOHNPRVHKSXQSY-NEPJUHHUSA-N 1 2 282.340 0.305 20 30 CCEDLO COCC(COC)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000902698538 616740904 /nfs/dbraw/zinc/74/09/04/616740904.db2.gz YAXKPLCREOMIDL-UHFFFAOYSA-N 1 2 268.313 0.994 20 30 CCEDLO COC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866352993 616744269 /nfs/dbraw/zinc/74/42/69/616744269.db2.gz DCZGUPYGRPYHIB-GXSJLCMTSA-N 1 2 250.298 0.922 20 30 CCEDLO CNC(=S)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912777628 616932164 /nfs/dbraw/zinc/93/21/64/616932164.db2.gz MEMYMAMXAXXYFB-UHFFFAOYSA-N 1 2 278.381 0.951 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)CC1(O)CCCC1 ZINC000878159612 616992692 /nfs/dbraw/zinc/99/26/92/616992692.db2.gz ODRJPOWLAZJILG-CYBMUJFWSA-N 1 2 270.373 0.905 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)CC1(O)CCCC1 ZINC000878159612 616992693 /nfs/dbraw/zinc/99/26/93/616992693.db2.gz ODRJPOWLAZJILG-CYBMUJFWSA-N 1 2 270.373 0.905 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@H]2C1 ZINC001026400563 625430944 /nfs/dbraw/zinc/43/09/44/625430944.db2.gz LPPABEFVOBYFSP-UBHSHLNASA-N 1 2 287.367 0.313 20 30 CCEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC000934464027 622709682 /nfs/dbraw/zinc/70/96/82/622709682.db2.gz AYECGRBPUVUPLX-SECBINFHSA-N 1 2 250.302 0.509 20 30 CCEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC000934464027 622709688 /nfs/dbraw/zinc/70/96/88/622709688.db2.gz AYECGRBPUVUPLX-SECBINFHSA-N 1 2 250.302 0.509 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000934510793 622729121 /nfs/dbraw/zinc/72/91/21/622729121.db2.gz LDYDVNJBMKUKIL-OLZOCXBDSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000934510793 622729126 /nfs/dbraw/zinc/72/91/26/622729126.db2.gz LDYDVNJBMKUKIL-OLZOCXBDSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269705 622739887 /nfs/dbraw/zinc/73/98/87/622739887.db2.gz QOGZOSKQXHQXGF-OCCSQVGLSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269705 622739890 /nfs/dbraw/zinc/73/98/90/622739890.db2.gz QOGZOSKQXHQXGF-OCCSQVGLSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807272 623450293 /nfs/dbraw/zinc/45/02/93/623450293.db2.gz AZYWDEPSAYSXIC-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024807272 623450316 /nfs/dbraw/zinc/45/03/16/623450316.db2.gz AZYWDEPSAYSXIC-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024807272 623450325 /nfs/dbraw/zinc/45/03/25/623450325.db2.gz AZYWDEPSAYSXIC-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000969981882 624568795 /nfs/dbraw/zinc/56/87/95/624568795.db2.gz QQIKMJPNPIDOHN-VXGBXAGGSA-N 1 2 287.367 0.406 20 30 CCEDLO O=C(/C=C/C[NH+]1CCOCC1)NCC#C[C@H]1CCCCO1 ZINC000891116185 624729459 /nfs/dbraw/zinc/72/94/59/624729459.db2.gz KSAYTGOWQZYTPC-NFBGWVBBSA-N 1 2 292.379 0.564 20 30 CCEDLO O=C(CCn1cc[nH+]c1)NCC#C[C@H]1CCCCO1 ZINC000891127693 624732026 /nfs/dbraw/zinc/73/20/26/624732026.db2.gz ZQHQAPGDJXGNBN-CYBMUJFWSA-N 1 2 261.325 0.962 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971220529 624828882 /nfs/dbraw/zinc/82/88/82/624828882.db2.gz HPDSDAAEFIZKGK-WDEREUQCSA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971220529 624828883 /nfs/dbraw/zinc/82/88/83/624828883.db2.gz HPDSDAAEFIZKGK-WDEREUQCSA-N 1 2 276.344 0.007 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]1CO ZINC000934022407 625005034 /nfs/dbraw/zinc/00/50/34/625005034.db2.gz LZLDJWMCDPYKCW-GXFFZTMASA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]1CO ZINC000934022407 625005039 /nfs/dbraw/zinc/00/50/39/625005039.db2.gz LZLDJWMCDPYKCW-GXFFZTMASA-N 1 2 259.309 0.952 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001022492763 625008816 /nfs/dbraw/zinc/00/88/16/625008816.db2.gz HUSKRTOOENPZOB-HZSPNIEDSA-N 1 2 294.399 0.248 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001022492763 625008818 /nfs/dbraw/zinc/00/88/18/625008818.db2.gz HUSKRTOOENPZOB-HZSPNIEDSA-N 1 2 294.399 0.248 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027690878 630854817 /nfs/dbraw/zinc/85/48/17/630854817.db2.gz JZTOKMUBPKYGTE-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027690878 630854819 /nfs/dbraw/zinc/85/48/19/630854819.db2.gz JZTOKMUBPKYGTE-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010359472 631331279 /nfs/dbraw/zinc/33/12/79/631331279.db2.gz YDJPSLZNSUVDIX-SNVBAGLBSA-N 1 2 268.748 0.977 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010359472 631331281 /nfs/dbraw/zinc/33/12/81/631331281.db2.gz YDJPSLZNSUVDIX-SNVBAGLBSA-N 1 2 268.748 0.977 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967943929 650005563 /nfs/dbraw/zinc/00/55/63/650005563.db2.gz MSQWTVFTXXETEC-RKDXNWHRSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967975675 650005922 /nfs/dbraw/zinc/00/59/22/650005922.db2.gz PBSREPRNNCCQAA-RKDXNWHRSA-N 1 2 265.342 0.388 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2nccn2C2CC2)CCCN1O ZINC000895191633 632020196 /nfs/dbraw/zinc/02/01/96/632020196.db2.gz BWEUUBSPRXCMSH-SNVBAGLBSA-N 1 2 250.302 0.688 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006687021 650047922 /nfs/dbraw/zinc/04/79/22/650047922.db2.gz WQIOSDSUQOBJMC-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006687021 650047924 /nfs/dbraw/zinc/04/79/24/650047924.db2.gz WQIOSDSUQOBJMC-JTQLQIEISA-N 1 2 284.751 0.006 20 30 CCEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247992 632032004 /nfs/dbraw/zinc/03/20/04/632032004.db2.gz XXWFLKZKIBWQBV-AAEUAGOBSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247992 632032007 /nfs/dbraw/zinc/03/20/07/632032007.db2.gz XXWFLKZKIBWQBV-AAEUAGOBSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H]1C[NH+](Cc2cnc3n2CCOC3)C[C@@H](C)N1CC#N ZINC000895969259 632183822 /nfs/dbraw/zinc/18/38/22/632183822.db2.gz JNBHHEXAUXSFCQ-CHWSQXEVSA-N 1 2 289.383 0.831 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001007882920 650095971 /nfs/dbraw/zinc/09/59/71/650095971.db2.gz PGFZKQOTFFVXLF-ZDUSSCGKSA-N 1 2 287.363 0.603 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001007882920 650095972 /nfs/dbraw/zinc/09/59/72/650095972.db2.gz PGFZKQOTFFVXLF-ZDUSSCGKSA-N 1 2 287.363 0.603 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2noc3c2COCC3)CC1 ZINC000989707831 633347599 /nfs/dbraw/zinc/34/75/99/633347599.db2.gz IJHBEDGJWYCXFH-UHFFFAOYSA-N 1 2 289.335 0.528 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2noc3c2COCC3)CC1 ZINC000989707831 633347602 /nfs/dbraw/zinc/34/76/02/633347602.db2.gz IJHBEDGJWYCXFH-UHFFFAOYSA-N 1 2 289.335 0.528 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCCOC1 ZINC000898507379 633613154 /nfs/dbraw/zinc/61/31/54/633613154.db2.gz ODUMJNYIWBFMCR-JSGCOSHPSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCCOC1 ZINC000898507379 633613158 /nfs/dbraw/zinc/61/31/58/633613158.db2.gz ODUMJNYIWBFMCR-JSGCOSHPSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCCOC1 ZINC000898507381 633614260 /nfs/dbraw/zinc/61/42/60/633614260.db2.gz ODUMJNYIWBFMCR-OCCSQVGLSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCCOC1 ZINC000898507381 633614286 /nfs/dbraw/zinc/61/42/86/633614286.db2.gz ODUMJNYIWBFMCR-OCCSQVGLSA-N 1 2 283.347 0.857 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000898886601 633682913 /nfs/dbraw/zinc/68/29/13/633682913.db2.gz GPGBSBOUUKTUNO-CYBMUJFWSA-N 1 2 284.319 0.684 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001008463733 650115805 /nfs/dbraw/zinc/11/58/05/650115805.db2.gz IUKPFQHUNQYQQQ-CHWSQXEVSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001008463733 650115808 /nfs/dbraw/zinc/11/58/08/650115808.db2.gz IUKPFQHUNQYQQQ-CHWSQXEVSA-N 1 2 291.395 0.812 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000899907261 633921418 /nfs/dbraw/zinc/92/14/18/633921418.db2.gz BAGATAAVCBQBJM-HNNXBMFYSA-N 1 2 285.347 0.898 20 30 CCEDLO N#CC1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000908400200 635365676 /nfs/dbraw/zinc/36/56/76/635365676.db2.gz WWPYMOCCDLJLOH-UHFFFAOYSA-N 1 2 288.351 0.416 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908992197 635488457 /nfs/dbraw/zinc/48/84/57/635488457.db2.gz FJJXLFATFLLCDV-GVZVPMNBSA-N 1 2 280.368 0.725 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000911709888 636346407 /nfs/dbraw/zinc/34/64/07/636346407.db2.gz XQSYQYUINHQFFH-TXEJJXNPSA-N 1 2 261.329 0.328 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[NH2+]2)cn1 ZINC000913465889 636818981 /nfs/dbraw/zinc/81/89/81/636818981.db2.gz CQRPGFZAOVDPKD-ZDUSSCGKSA-N 1 2 284.323 0.407 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000992279145 637353744 /nfs/dbraw/zinc/35/37/44/637353744.db2.gz XYRNGJIFUBUETM-TZMCWYRMSA-N 1 2 273.340 0.589 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)[C@@H]1C ZINC000994342331 637921349 /nfs/dbraw/zinc/92/13/49/637921349.db2.gz AHDNQTDOZLOAMU-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)[C@@H]1C ZINC000994342331 637921356 /nfs/dbraw/zinc/92/13/56/637921356.db2.gz AHDNQTDOZLOAMU-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1C ZINC000944445918 638769560 /nfs/dbraw/zinc/76/95/60/638769560.db2.gz QVFRJACUBDJIAJ-CMPLNLGQSA-N 1 2 275.356 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001016062272 638886142 /nfs/dbraw/zinc/88/61/42/638886142.db2.gz CUMZTRBRDQVPDY-QMMMGPOBSA-N 1 2 253.689 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001016062272 638886144 /nfs/dbraw/zinc/88/61/44/638886144.db2.gz CUMZTRBRDQVPDY-QMMMGPOBSA-N 1 2 253.689 0.765 20 30 CCEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC(NCC#N)C1 ZINC000999698016 638992250 /nfs/dbraw/zinc/99/22/50/638992250.db2.gz PAMUIFMTDZYKTG-UHFFFAOYSA-N 1 2 275.356 0.790 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001014633596 650470123 /nfs/dbraw/zinc/47/01/23/650470123.db2.gz NWXAKCMCDVWMAG-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001014633596 650470124 /nfs/dbraw/zinc/47/01/24/650470124.db2.gz NWXAKCMCDVWMAG-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001001382972 639292860 /nfs/dbraw/zinc/29/28/60/639292860.db2.gz GTJYQYGNZQHAEW-LBPRGKRZSA-N 1 2 297.786 0.766 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001001382972 639292869 /nfs/dbraw/zinc/29/28/69/639292869.db2.gz GTJYQYGNZQHAEW-LBPRGKRZSA-N 1 2 297.786 0.766 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014870320 650497671 /nfs/dbraw/zinc/49/76/71/650497671.db2.gz TUYWDQVMGUFALK-SECBINFHSA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014870320 650497672 /nfs/dbraw/zinc/49/76/72/650497672.db2.gz TUYWDQVMGUFALK-SECBINFHSA-N 1 2 282.731 0.739 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001003180341 639515221 /nfs/dbraw/zinc/51/52/21/639515221.db2.gz PNMOCBNFTWVXMQ-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(CC#N)C1 ZINC001014916476 650502493 /nfs/dbraw/zinc/50/24/93/650502493.db2.gz QVNXYZDMHZKKAS-GFCCVEGCSA-N 1 2 274.324 0.347 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CCN(CC#N)CC2 ZINC001016931773 640221901 /nfs/dbraw/zinc/22/19/01/640221901.db2.gz WBELNPBZGRIJNG-CYBMUJFWSA-N 1 2 287.367 0.457 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000800411432 640612271 /nfs/dbraw/zinc/61/22/71/640612271.db2.gz UBFMPCAGAXSFTL-LBPRGKRZSA-N 1 2 298.346 0.744 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000801927362 640676423 /nfs/dbraw/zinc/67/64/23/640676423.db2.gz NZYAHQDSSOOSQM-WOPDTQHZSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000801927362 640676430 /nfs/dbraw/zinc/67/64/30/640676430.db2.gz NZYAHQDSSOOSQM-WOPDTQHZSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)OCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000801935625 640678050 /nfs/dbraw/zinc/67/80/50/640678050.db2.gz BLCQBIPSDZYLDV-SNVBAGLBSA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000801935625 640678054 /nfs/dbraw/zinc/67/80/54/640678054.db2.gz BLCQBIPSDZYLDV-SNVBAGLBSA-N 1 2 260.359 0.424 20 30 CCEDLO Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)cc(C#N)n1 ZINC000804497398 640770425 /nfs/dbraw/zinc/77/04/25/640770425.db2.gz AUPIWIVDRDRABY-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO Cn1ncc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)c1N ZINC000814680729 641074126 /nfs/dbraw/zinc/07/41/26/641074126.db2.gz GDXITJACZNUXIZ-UHFFFAOYSA-N 1 2 294.340 0.096 20 30 CCEDLO N#CCN1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016899693 650770127 /nfs/dbraw/zinc/77/01/27/650770127.db2.gz XHEOPTKOJOLPHO-NSHDSACASA-N 1 2 273.340 0.446 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC12CCN(CC#N)CC2 ZINC001016948930 650773164 /nfs/dbraw/zinc/77/31/64/650773164.db2.gz YADVNDCQEXGLRI-ZDUSSCGKSA-N 1 2 287.367 0.755 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867215897 642723784 /nfs/dbraw/zinc/72/37/84/642723784.db2.gz WPVTUOXBYCMGEA-MASHWEEQSA-N 1 2 268.357 0.176 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C#CC1CC1 ZINC000837393424 642742078 /nfs/dbraw/zinc/74/20/78/642742078.db2.gz OPYXRWBLHVXWFN-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)C#CC1CC1 ZINC000837393424 642742081 /nfs/dbraw/zinc/74/20/81/642742081.db2.gz OPYXRWBLHVXWFN-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001017407764 650799554 /nfs/dbraw/zinc/79/95/54/650799554.db2.gz HYMNSQHQTSCFAL-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001017407764 650799555 /nfs/dbraw/zinc/79/95/55/650799555.db2.gz HYMNSQHQTSCFAL-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1N ZINC001017422795 650801006 /nfs/dbraw/zinc/80/10/06/650801006.db2.gz YHLAJBAQIYJHLD-TXEJJXNPSA-N 1 2 285.351 0.371 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1N ZINC001017422795 650801010 /nfs/dbraw/zinc/80/10/10/650801010.db2.gz YHLAJBAQIYJHLD-TXEJJXNPSA-N 1 2 285.351 0.371 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001017513704 650807833 /nfs/dbraw/zinc/80/78/33/650807833.db2.gz PDIMCOBALZJXJF-HFDVOGEKSA-N 1 2 276.380 0.846 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001017513704 650807834 /nfs/dbraw/zinc/80/78/34/650807834.db2.gz PDIMCOBALZJXJF-HFDVOGEKSA-N 1 2 276.380 0.846 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn(C)n1 ZINC001017524222 650808638 /nfs/dbraw/zinc/80/86/38/650808638.db2.gz AIIRYLNJBFCTNB-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn(C)n1 ZINC001017524222 650808641 /nfs/dbraw/zinc/80/86/41/650808641.db2.gz AIIRYLNJBFCTNB-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1CC ZINC001017531741 650809127 /nfs/dbraw/zinc/80/91/27/650809127.db2.gz NASLRTFKNQGKMM-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1CC ZINC001017531741 650809129 /nfs/dbraw/zinc/80/91/29/650809129.db2.gz NASLRTFKNQGKMM-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001017700449 650818348 /nfs/dbraw/zinc/81/83/48/650818348.db2.gz ZDFDZLFXNIGTDU-RFQIPJPRSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001017700449 650818350 /nfs/dbraw/zinc/81/83/50/650818350.db2.gz ZDFDZLFXNIGTDU-RFQIPJPRSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)on1 ZINC001017636456 650814965 /nfs/dbraw/zinc/81/49/65/650814965.db2.gz PYGVWVOROYFUTC-BETUJISGSA-N 1 2 289.335 0.670 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)on1 ZINC001017636456 650814968 /nfs/dbraw/zinc/81/49/68/650814968.db2.gz PYGVWVOROYFUTC-BETUJISGSA-N 1 2 289.335 0.670 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001017638923 650815454 /nfs/dbraw/zinc/81/54/54/650815454.db2.gz AQOFNPWCDWZTIV-PHIMTYICSA-N 1 2 274.324 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001017638923 650815457 /nfs/dbraw/zinc/81/54/57/650815457.db2.gz AQOFNPWCDWZTIV-PHIMTYICSA-N 1 2 274.324 0.346 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001017670844 650817317 /nfs/dbraw/zinc/81/73/17/650817317.db2.gz KEZGMNFAIKPVKB-MCIONIFRSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001017680434 650817458 /nfs/dbraw/zinc/81/74/58/650817458.db2.gz GIJZMYZVWRXEPR-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001017680434 650817461 /nfs/dbraw/zinc/81/74/61/650817461.db2.gz GIJZMYZVWRXEPR-KFWWJZLASA-N 1 2 298.390 0.754 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncn1C ZINC001017712061 650818743 /nfs/dbraw/zinc/81/87/43/650818743.db2.gz OQKKASLSEGIWKB-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncn1C ZINC001017712061 650818748 /nfs/dbraw/zinc/81/87/48/650818748.db2.gz OQKKASLSEGIWKB-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1CC1 ZINC000844452773 643218157 /nfs/dbraw/zinc/21/81/57/643218157.db2.gz NMRFXMPFRQWCNH-UMNHJUIQSA-N 1 2 269.295 0.992 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1CC1 ZINC000844452773 643218165 /nfs/dbraw/zinc/21/81/65/643218165.db2.gz NMRFXMPFRQWCNH-UMNHJUIQSA-N 1 2 269.295 0.992 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851741155 643876288 /nfs/dbraw/zinc/87/62/88/643876288.db2.gz BCXGJYGMZFKJJX-SWLSCSKDSA-N 1 2 275.352 0.841 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851741155 643876291 /nfs/dbraw/zinc/87/62/91/643876291.db2.gz BCXGJYGMZFKJJX-SWLSCSKDSA-N 1 2 275.352 0.841 20 30 CCEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001018629926 650886459 /nfs/dbraw/zinc/88/64/59/650886459.db2.gz CFELIALAQRVGNS-ZJUUUORDSA-N 1 2 293.327 0.066 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C#CC2CC2)[C@@H](C)CO1 ZINC000855407587 644312099 /nfs/dbraw/zinc/31/20/99/644312099.db2.gz NNDYLQYSWXGXMX-RYUDHWBXSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C#CC2CC2)[C@@H](C)CO1 ZINC000855407587 644312102 /nfs/dbraw/zinc/31/21/02/644312102.db2.gz NNDYLQYSWXGXMX-RYUDHWBXSA-N 1 2 250.342 0.625 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982804 644588290 /nfs/dbraw/zinc/58/82/90/644588290.db2.gz LWVHVPOBEKCQAN-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC2(C1)OCCO2 ZINC000118974214 645007649 /nfs/dbraw/zinc/00/76/49/645007649.db2.gz FAKFPLGHLXZLQO-LLVKDONJSA-N 1 2 267.329 0.196 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC2(C1)OCCO2 ZINC000118974214 645007655 /nfs/dbraw/zinc/00/76/55/645007655.db2.gz FAKFPLGHLXZLQO-LLVKDONJSA-N 1 2 267.329 0.196 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2coc(C#N)c2)[C@H](C)CO1 ZINC000869244061 645863258 /nfs/dbraw/zinc/86/32/58/645863258.db2.gz UEYHMMGOQQKVFO-GHMZBOCLSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2coc(C#N)c2)[C@H](C)CO1 ZINC000869244061 645863262 /nfs/dbraw/zinc/86/32/62/645863262.db2.gz UEYHMMGOQQKVFO-GHMZBOCLSA-N 1 2 277.324 0.990 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000877322925 646792587 /nfs/dbraw/zinc/79/25/87/646792587.db2.gz GOIGODZFDSPFOF-UHFFFAOYSA-N 1 2 250.689 0.714 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879050772 647020103 /nfs/dbraw/zinc/02/01/03/647020103.db2.gz QJSYEGISBMUTRS-CMPLNLGQSA-N 1 2 266.320 0.965 20 30 CCEDLO COCC[N@H+](C)Cc1cn(CCO[C@H](C)C#N)nn1 ZINC000881323753 647302752 /nfs/dbraw/zinc/30/27/52/647302752.db2.gz PGHMJAJSKVFQNZ-LLVKDONJSA-N 1 2 267.333 0.285 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(CCO[C@H](C)C#N)nn1 ZINC000881323753 647302753 /nfs/dbraw/zinc/30/27/53/647302753.db2.gz PGHMJAJSKVFQNZ-LLVKDONJSA-N 1 2 267.333 0.285 20 30 CCEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)CCO ZINC000136068478 647867306 /nfs/dbraw/zinc/86/73/06/647867306.db2.gz LHXIZFSGSVHOLA-NXEZZACHSA-N 1 2 257.334 0.447 20 30 CCEDLO C[C@@H]([NH2+]CCN1CCNC1=O)c1cccc(C#N)c1O ZINC000886746902 648008307 /nfs/dbraw/zinc/00/83/07/648008307.db2.gz FRAKCRQCQHIHHS-SNVBAGLBSA-N 1 2 274.324 0.940 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925597102 648446038 /nfs/dbraw/zinc/44/60/38/648446038.db2.gz GHVDXXRMYVWYCT-KGLIPLIRSA-N 1 2 297.399 0.171 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930542192 648873844 /nfs/dbraw/zinc/87/38/44/648873844.db2.gz TUJUOANETUCCKC-STQMWFEESA-N 1 2 254.330 0.290 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930542192 648873846 /nfs/dbraw/zinc/87/38/46/648873846.db2.gz TUJUOANETUCCKC-STQMWFEESA-N 1 2 254.330 0.290 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000932157630 649054253 /nfs/dbraw/zinc/05/42/53/649054253.db2.gz MQPYEJGBRPUIDU-QWHCGFSZSA-N 1 2 268.357 0.778 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000932157630 649054255 /nfs/dbraw/zinc/05/42/55/649054255.db2.gz MQPYEJGBRPUIDU-QWHCGFSZSA-N 1 2 268.357 0.778 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000932152248 649054305 /nfs/dbraw/zinc/05/43/05/649054305.db2.gz OOFOCKUTYMVWLO-STQMWFEESA-N 1 2 268.357 0.514 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000932152248 649054307 /nfs/dbraw/zinc/05/43/07/649054307.db2.gz OOFOCKUTYMVWLO-STQMWFEESA-N 1 2 268.357 0.514 20 30 CCEDLO N#CCCC[NH+]1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000933555646 649125776 /nfs/dbraw/zinc/12/57/76/649125776.db2.gz LOQVATTUYPWFES-UHFFFAOYSA-N 1 2 287.371 0.757 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631339 649131207 /nfs/dbraw/zinc/13/12/07/649131207.db2.gz JHTGPKIWRIMUJN-CQSZACIVSA-N 1 2 298.350 0.698 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631339 649131209 /nfs/dbraw/zinc/13/12/09/649131209.db2.gz JHTGPKIWRIMUJN-CQSZACIVSA-N 1 2 298.350 0.698 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000934508884 649177721 /nfs/dbraw/zinc/17/77/21/649177721.db2.gz GTTSSWROPGHTQP-SECBINFHSA-N 1 2 291.273 0.862 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000934508884 649177722 /nfs/dbraw/zinc/17/77/22/649177722.db2.gz GTTSSWROPGHTQP-SECBINFHSA-N 1 2 291.273 0.862 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934584258 649181837 /nfs/dbraw/zinc/18/18/37/649181837.db2.gz ZKOUOZFERHJPMJ-YUELXQCFSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934584258 649181841 /nfs/dbraw/zinc/18/18/41/649181841.db2.gz ZKOUOZFERHJPMJ-YUELXQCFSA-N 1 2 294.326 0.703 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC000954932952 649678352 /nfs/dbraw/zinc/67/83/52/649678352.db2.gz LZNMNIBIOUJARZ-SECBINFHSA-N 1 2 289.339 0.090 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)[nH]1 ZINC000958589777 649813479 /nfs/dbraw/zinc/81/34/79/649813479.db2.gz GEONAYIWGSBCKG-IMRBUKKESA-N 1 2 297.318 0.735 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)[nH]1 ZINC000958589777 649813481 /nfs/dbraw/zinc/81/34/81/649813481.db2.gz GEONAYIWGSBCKG-IMRBUKKESA-N 1 2 297.318 0.735 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230633069 805636169 /nfs/dbraw/zinc/63/61/69/805636169.db2.gz CMQLUKPFQZYLAL-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230633069 805636179 /nfs/dbraw/zinc/63/61/79/805636179.db2.gz CMQLUKPFQZYLAL-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO Cc1cccc(C(=O)NCC[NH+]2CCN(CC#N)CC2)c1 ZINC001266279125 790387105 /nfs/dbraw/zinc/38/71/05/790387105.db2.gz DXTJUUWAODOHMS-UHFFFAOYSA-N 1 2 286.379 0.866 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266299725 790459865 /nfs/dbraw/zinc/45/98/65/790459865.db2.gz XBHXBYASRSPJHG-VXGBXAGGSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266299725 790459872 /nfs/dbraw/zinc/45/98/72/790459872.db2.gz XBHXBYASRSPJHG-VXGBXAGGSA-N 1 2 289.335 0.222 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)C1 ZINC001266302048 790468013 /nfs/dbraw/zinc/46/80/13/790468013.db2.gz HYUNGGWLTZTMIP-CYBMUJFWSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C1 ZINC001266302048 790468017 /nfs/dbraw/zinc/46/80/17/790468017.db2.gz HYUNGGWLTZTMIP-CYBMUJFWSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001266304602 790472365 /nfs/dbraw/zinc/47/23/65/790472365.db2.gz BWYJEVQSESCPMR-GHMZBOCLSA-N 1 2 285.413 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001266304602 790472369 /nfs/dbraw/zinc/47/23/69/790472369.db2.gz BWYJEVQSESCPMR-GHMZBOCLSA-N 1 2 285.413 0.231 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001266336885 790534618 /nfs/dbraw/zinc/53/46/18/790534618.db2.gz XYWMQQSRTAYYEG-LBPRGKRZSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001266336885 790534632 /nfs/dbraw/zinc/53/46/32/790534632.db2.gz XYWMQQSRTAYYEG-LBPRGKRZSA-N 1 2 289.335 0.142 20 30 CCEDLO CCN(CC#N)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266421452 790668115 /nfs/dbraw/zinc/66/81/15/790668115.db2.gz XCGLRQQIJBLTFN-GFCCVEGCSA-N 1 2 263.345 0.796 20 30 CCEDLO CCN(CC#N)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266421453 790667821 /nfs/dbraw/zinc/66/78/21/790667821.db2.gz XCGLRQQIJBLTFN-LBPRGKRZSA-N 1 2 263.345 0.796 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CC2CC2)CC1 ZINC000086497235 790769009 /nfs/dbraw/zinc/76/90/09/790769009.db2.gz YGENMPVZAMLRKB-UHFFFAOYSA-N 1 2 257.359 0.304 20 30 CCEDLO CC#CC[N@H+](CCC)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001266565364 790936361 /nfs/dbraw/zinc/93/63/61/790936361.db2.gz VJWJPNMWPQYIOR-LBPRGKRZSA-N 1 2 288.413 0.271 20 30 CCEDLO CC#CC[N@@H+](CCC)CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001266565364 790936368 /nfs/dbraw/zinc/93/63/68/790936368.db2.gz VJWJPNMWPQYIOR-LBPRGKRZSA-N 1 2 288.413 0.271 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230705314 805652844 /nfs/dbraw/zinc/65/28/44/805652844.db2.gz KKCLKYMXQOZVPF-RYUDHWBXSA-N 1 2 299.440 0.573 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSC ZINC001230705314 805652851 /nfs/dbraw/zinc/65/28/51/805652851.db2.gz KKCLKYMXQOZVPF-RYUDHWBXSA-N 1 2 299.440 0.573 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001230897952 805687422 /nfs/dbraw/zinc/68/74/22/805687422.db2.gz AUVFQRWQMFRYQS-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001230897952 805687425 /nfs/dbraw/zinc/68/74/25/805687425.db2.gz AUVFQRWQMFRYQS-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231123423 805735044 /nfs/dbraw/zinc/73/50/44/805735044.db2.gz TYRXYQLFBWXLAB-KBPBESRZSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231123423 805735048 /nfs/dbraw/zinc/73/50/48/805735048.db2.gz TYRXYQLFBWXLAB-KBPBESRZSA-N 1 2 291.395 0.623 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231247269 805758907 /nfs/dbraw/zinc/75/89/07/805758907.db2.gz MAUPJPVIQDXPPX-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231247269 805758911 /nfs/dbraw/zinc/75/89/11/805758911.db2.gz MAUPJPVIQDXPPX-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(C#N)n(C)n1 ZINC001231352751 805780239 /nfs/dbraw/zinc/78/02/39/805780239.db2.gz PEGOKVLFUNHSTF-SNVBAGLBSA-N 1 2 250.302 0.391 20 30 CCEDLO CN(C(=O)C#CC1CC1)C1C[NH+](CCc2ccnn2C)C1 ZINC001277593318 805875744 /nfs/dbraw/zinc/87/57/44/805875744.db2.gz FDRHCDFGLDCJPL-UHFFFAOYSA-N 1 2 286.379 0.519 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041854903 791162348 /nfs/dbraw/zinc/16/23/48/791162348.db2.gz BGOLIINODUQMSN-AWEZNQCLSA-N 1 2 273.340 0.331 20 30 CCEDLO N#CCN1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001266845417 791283810 /nfs/dbraw/zinc/28/38/10/791283810.db2.gz YKSMNRDBCQYLSV-ZDUSSCGKSA-N 1 2 275.356 0.837 20 30 CCEDLO N#CCN1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001266845417 791283817 /nfs/dbraw/zinc/28/38/17/791283817.db2.gz YKSMNRDBCQYLSV-ZDUSSCGKSA-N 1 2 275.356 0.837 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001267010437 791441603 /nfs/dbraw/zinc/44/16/03/791441603.db2.gz WURGOZRMFJYFTP-NSHDSACASA-N 1 2 262.313 0.420 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001038235570 791490149 /nfs/dbraw/zinc/49/01/49/791490149.db2.gz PVKQKEMWUFAINS-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001038235570 791490154 /nfs/dbraw/zinc/49/01/54/791490154.db2.gz PVKQKEMWUFAINS-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oncc3C)[C@H]2C1 ZINC001083239092 791503748 /nfs/dbraw/zinc/50/37/48/791503748.db2.gz SQODLQSSXNEZHA-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3oncc3C)[C@H]2C1 ZINC001083239092 791503753 /nfs/dbraw/zinc/50/37/53/791503753.db2.gz SQODLQSSXNEZHA-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)/C=C/c1ccco1 ZINC001267183274 791633269 /nfs/dbraw/zinc/63/32/69/791633269.db2.gz LECTXMVNYIZKKS-VOTSOKGWSA-N 1 2 289.335 0.090 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)/C=C/c1ccco1 ZINC001267183274 791633272 /nfs/dbraw/zinc/63/32/72/791633272.db2.gz LECTXMVNYIZKKS-VOTSOKGWSA-N 1 2 289.335 0.090 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC001267221319 791694466 /nfs/dbraw/zinc/69/44/66/791694466.db2.gz CWBUMHPIJQEPIE-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC001267221319 791694469 /nfs/dbraw/zinc/69/44/69/791694469.db2.gz CWBUMHPIJQEPIE-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001267227253 791706270 /nfs/dbraw/zinc/70/62/70/791706270.db2.gz JGAIUEACRCKMDH-UHFFFAOYSA-N 1 2 287.363 0.004 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[N@H+](C)CC(=O)NC ZINC001267227253 791706277 /nfs/dbraw/zinc/70/62/77/791706277.db2.gz JGAIUEACRCKMDH-UHFFFAOYSA-N 1 2 287.363 0.004 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233761954 806117483 /nfs/dbraw/zinc/11/74/83/806117483.db2.gz NXYRUWUJPVBCOH-AWEZNQCLSA-N 1 2 293.411 0.801 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233761954 806117487 /nfs/dbraw/zinc/11/74/87/806117487.db2.gz NXYRUWUJPVBCOH-AWEZNQCLSA-N 1 2 293.411 0.801 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233762202 806117861 /nfs/dbraw/zinc/11/78/61/806117861.db2.gz QVPSLVLHEYGXGS-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233762202 806117863 /nfs/dbraw/zinc/11/78/63/806117863.db2.gz QVPSLVLHEYGXGS-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187051 806199768 /nfs/dbraw/zinc/19/97/68/806199768.db2.gz SLIMJCGPVOJNFK-TZMCWYRMSA-N 1 2 291.395 0.409 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187051 806199772 /nfs/dbraw/zinc/19/97/72/806199772.db2.gz SLIMJCGPVOJNFK-TZMCWYRMSA-N 1 2 291.395 0.409 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468430 806251642 /nfs/dbraw/zinc/25/16/42/806251642.db2.gz ZJIBANWPWJPACA-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468430 806251648 /nfs/dbraw/zinc/25/16/48/806251648.db2.gz ZJIBANWPWJPACA-QWHCGFSZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#Cc1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC001211928154 814932335 /nfs/dbraw/zinc/93/23/35/814932335.db2.gz YGEJHHFJFDCTFT-UHFFFAOYSA-N 1 2 289.360 0.984 20 30 CCEDLO N#Cc1ncccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237492813 806675405 /nfs/dbraw/zinc/67/54/05/806675405.db2.gz GYCCXUQEXIZDPS-UHFFFAOYSA-N 1 2 280.353 0.695 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1cnc(C#N)cn1 ZINC001120711785 798918834 /nfs/dbraw/zinc/91/88/34/798918834.db2.gz FGNJZFJLMZOQLD-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1nccnc1C#N ZINC001120712321 798918890 /nfs/dbraw/zinc/91/88/90/798918890.db2.gz LUVJJJYVNIZKCP-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccncc1C#N ZINC001120712814 798920042 /nfs/dbraw/zinc/92/00/42/798920042.db2.gz SPIDCYFIFVHKKT-NSHDSACASA-N 1 2 298.350 0.600 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nn1 ZINC001120712982 798920171 /nfs/dbraw/zinc/92/01/71/798920171.db2.gz VLQBONQYURAOII-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121190066 799011506 /nfs/dbraw/zinc/01/15/06/799011506.db2.gz IKVNFDCDPPZWHD-NSHDSACASA-N 1 2 264.329 0.640 20 30 CCEDLO Cc1nc(N[C@@H](CO)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001121439781 799046272 /nfs/dbraw/zinc/04/62/72/799046272.db2.gz TUGMNZMCIDJJIN-GFCCVEGCSA-N 1 2 290.367 0.724 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccn3)n2C)CC1 ZINC001121564919 799058461 /nfs/dbraw/zinc/05/84/61/799058461.db2.gz DEXQDDGJHDYDFU-UHFFFAOYSA-N 1 2 283.339 0.027 20 30 CCEDLO C=CC[C@H](NC(=O)CCc1[nH+]ccn1C)C(=O)OCC ZINC001123687752 799454477 /nfs/dbraw/zinc/45/44/77/799454477.db2.gz RTXKTKLOSQPEQT-NSHDSACASA-N 1 2 279.340 0.977 20 30 CCEDLO C=C1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123695932 799457106 /nfs/dbraw/zinc/45/71/06/799457106.db2.gz XULJSAPSXMCPSH-ZIAGYGMSSA-N 1 2 280.416 0.982 20 30 CCEDLO C=C1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123695932 799457110 /nfs/dbraw/zinc/45/71/10/799457110.db2.gz XULJSAPSXMCPSH-ZIAGYGMSSA-N 1 2 280.416 0.982 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001124890081 799644334 /nfs/dbraw/zinc/64/43/34/799644334.db2.gz WMMXQDHCFBBQQH-VIFPVBQESA-N 1 2 279.344 0.733 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124889986 799644622 /nfs/dbraw/zinc/64/46/22/799644622.db2.gz UXFKYCGNSQZXDG-SECBINFHSA-N 1 2 265.317 0.558 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001149983419 800310453 /nfs/dbraw/zinc/31/04/53/800310453.db2.gz QUMCRNWKAQPZOC-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001149983419 800310460 /nfs/dbraw/zinc/31/04/60/800310460.db2.gz QUMCRNWKAQPZOC-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206639732 800410175 /nfs/dbraw/zinc/41/01/75/800410175.db2.gz CDWRNHSNGANVSM-NQBHXWOUSA-N 1 2 275.356 0.516 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206639732 800410181 /nfs/dbraw/zinc/41/01/81/800410181.db2.gz CDWRNHSNGANVSM-NQBHXWOUSA-N 1 2 275.356 0.516 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001153148829 800601496 /nfs/dbraw/zinc/60/14/96/800601496.db2.gz MSDGYARLZFHKPM-UWVGGRQHSA-N 1 2 284.385 0.896 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCO[C@@H](C#N)C3)sc2C1 ZINC001154218504 800742168 /nfs/dbraw/zinc/74/21/68/800742168.db2.gz JBMFDYWXCUMNNA-VIFPVBQESA-N 1 2 292.364 0.496 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCO[C@@H](C#N)C3)sc2C1 ZINC001154218504 800742171 /nfs/dbraw/zinc/74/21/71/800742171.db2.gz JBMFDYWXCUMNNA-VIFPVBQESA-N 1 2 292.364 0.496 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3ccc(C)cn32)CC1 ZINC001156033614 801096904 /nfs/dbraw/zinc/09/69/04/801096904.db2.gz PVLWNAKTHWMZPO-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659877 801115621 /nfs/dbraw/zinc/11/56/21/801115621.db2.gz SOGQZVFQQWCOOQ-FXPVBKGRSA-N 1 2 293.396 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659877 801115623 /nfs/dbraw/zinc/11/56/23/801115623.db2.gz SOGQZVFQQWCOOQ-FXPVBKGRSA-N 1 2 293.396 0.943 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001157172013 801318521 /nfs/dbraw/zinc/31/85/21/801318521.db2.gz JISPYSNCUMIQLC-VXGBXAGGSA-N 1 2 288.413 0.127 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001157172013 801318529 /nfs/dbraw/zinc/31/85/29/801318529.db2.gz JISPYSNCUMIQLC-VXGBXAGGSA-N 1 2 288.413 0.127 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)C[NH2+]1 ZINC001158254899 801605318 /nfs/dbraw/zinc/60/53/18/801605318.db2.gz YANVBSSLPVLRTM-APPZFPTMSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)nc(C)c2C#N)C[NH2+]1 ZINC001158255007 801605680 /nfs/dbraw/zinc/60/56/80/801605680.db2.gz NGGMTDUTOOOQTR-APPZFPTMSA-N 1 2 295.730 0.047 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC001158860672 801714855 /nfs/dbraw/zinc/71/48/55/801714855.db2.gz IHAZSDFWUVWKRQ-GFCCVEGCSA-N 1 2 252.277 0.614 20 30 CCEDLO NC(=O)[C@@H]1CCCN1c1cc(NCCCS)[nH+]cn1 ZINC001159871362 801883625 /nfs/dbraw/zinc/88/36/25/801883625.db2.gz APGIXQUTAFNTCT-VIFPVBQESA-N 1 2 281.385 0.663 20 30 CCEDLO NC(=O)[C@@H]1CCCN1c1cc(NCCCS)nc[nH+]1 ZINC001159871362 801883632 /nfs/dbraw/zinc/88/36/32/801883632.db2.gz APGIXQUTAFNTCT-VIFPVBQESA-N 1 2 281.385 0.663 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cncc(N)c2)CC1 ZINC001160432015 801940588 /nfs/dbraw/zinc/94/05/88/801940588.db2.gz LBMIQYZPDJMLDJ-UHFFFAOYSA-N 1 2 274.368 0.927 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001251857375 807723957 /nfs/dbraw/zinc/72/39/57/807723957.db2.gz BEJDTODHOZDGRC-GFCCVEGCSA-N 1 2 255.314 0.025 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)ncc1C#N ZINC001161945214 802251792 /nfs/dbraw/zinc/25/17/92/802251792.db2.gz GKEMMEWNQVHJLB-MRVPVSSYSA-N 1 2 268.704 0.909 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncnc2ccc(C#N)cc21 ZINC001161945640 802252697 /nfs/dbraw/zinc/25/26/97/802252697.db2.gz MARLZSBAFDLADO-LLVKDONJSA-N 1 2 285.307 0.804 20 30 CCEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001255178319 808325442 /nfs/dbraw/zinc/32/54/42/808325442.db2.gz DZPDHSZOADARGD-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001255178319 808325450 /nfs/dbraw/zinc/32/54/50/808325450.db2.gz DZPDHSZOADARGD-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859680 808348141 /nfs/dbraw/zinc/34/81/41/808348141.db2.gz GDVHVGJMTIOTLY-ZJUUUORDSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859680 808348148 /nfs/dbraw/zinc/34/81/48/808348148.db2.gz GDVHVGJMTIOTLY-ZJUUUORDSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278859680 808348156 /nfs/dbraw/zinc/34/81/56/808348156.db2.gz GDVHVGJMTIOTLY-ZJUUUORDSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278859680 808348164 /nfs/dbraw/zinc/34/81/64/808348164.db2.gz GDVHVGJMTIOTLY-ZJUUUORDSA-N 1 2 298.280 0.661 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc(C#N)c(C)n2)cn1 ZINC001163411167 802553810 /nfs/dbraw/zinc/55/38/10/802553810.db2.gz CNGVWNYMWGCUTB-ZDUSSCGKSA-N 1 2 299.334 0.880 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nccc(Cl)n1 ZINC001164642293 802774394 /nfs/dbraw/zinc/77/43/94/802774394.db2.gz UGJPMAYCXMJYPO-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(N2CCSCC2)ncn1 ZINC001164660659 802776555 /nfs/dbraw/zinc/77/65/55/802776555.db2.gz FZUAKXBFVGAMCY-LLVKDONJSA-N 1 2 290.396 0.332 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001267748643 811739164 /nfs/dbraw/zinc/73/91/64/811739164.db2.gz CBWLMCVVQJVAEJ-OCCSQVGLSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001267748643 811739168 /nfs/dbraw/zinc/73/91/68/811739168.db2.gz CBWLMCVVQJVAEJ-OCCSQVGLSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001267805198 811800889 /nfs/dbraw/zinc/80/08/89/811800889.db2.gz NPGFHQMLCVIZQY-JQWIXIFHSA-N 1 2 294.355 0.401 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001206670429 803278256 /nfs/dbraw/zinc/27/82/56/803278256.db2.gz LIPXJLVKTRMPOU-GHMZBOCLSA-N 1 2 250.342 0.671 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001206670429 803278260 /nfs/dbraw/zinc/27/82/60/803278260.db2.gz LIPXJLVKTRMPOU-GHMZBOCLSA-N 1 2 250.342 0.671 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001280292133 813926987 /nfs/dbraw/zinc/92/69/87/813926987.db2.gz CEWWATYWLXKKGM-MNOVXSKESA-N 1 2 288.351 0.375 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)COC2CCCCC2)C1 ZINC001271312550 814376115 /nfs/dbraw/zinc/37/61/15/814376115.db2.gz YFBZMYNSEWHYAE-UHFFFAOYSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](CC)CCC)C1 ZINC001271373087 814395777 /nfs/dbraw/zinc/39/57/77/814395777.db2.gz ALAOZHBFXQIJQQ-CYBMUJFWSA-N 1 2 266.385 0.999 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213350009 803691436 /nfs/dbraw/zinc/69/14/36/803691436.db2.gz BYWCYBZAQOBSSB-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213350009 803691438 /nfs/dbraw/zinc/69/14/38/803691438.db2.gz BYWCYBZAQOBSSB-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 ZINC001213428704 803694322 /nfs/dbraw/zinc/69/43/22/803694322.db2.gz UOIJMLJVDOUSFC-CHWSQXEVSA-N 1 2 298.358 0.201 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 ZINC001213428704 803694324 /nfs/dbraw/zinc/69/43/24/803694324.db2.gz UOIJMLJVDOUSFC-CHWSQXEVSA-N 1 2 298.358 0.201 20 30 CCEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217619932 803896581 /nfs/dbraw/zinc/89/65/81/803896581.db2.gz IOUZSXSPQGWFIT-FHWRGQPKSA-N 1 2 292.379 0.514 20 30 CCEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217619932 803896591 /nfs/dbraw/zinc/89/65/91/803896591.db2.gz IOUZSXSPQGWFIT-FHWRGQPKSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(C)(F)F)[C@H]2C1 ZINC001218195669 803935347 /nfs/dbraw/zinc/93/53/47/803935347.db2.gz IISMYTJABSRMMT-NWDGAFQWSA-N 1 2 286.322 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(C)(F)F)[C@H]2C1 ZINC001218195669 803935351 /nfs/dbraw/zinc/93/53/51/803935351.db2.gz IISMYTJABSRMMT-NWDGAFQWSA-N 1 2 286.322 0.967 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001218581260 804018868 /nfs/dbraw/zinc/01/88/68/804018868.db2.gz JDNWLSKYXGPIAV-JTQLQIEISA-N 1 2 290.323 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC(C)C)OC)[C@H]2C1 ZINC001218610960 804033962 /nfs/dbraw/zinc/03/39/62/804033962.db2.gz ZMPCXICYFLEXKG-SOUVJXGZSA-N 1 2 294.395 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC(C)C)OC)[C@H]2C1 ZINC001218610960 804033967 /nfs/dbraw/zinc/03/39/67/804033967.db2.gz ZMPCXICYFLEXKG-SOUVJXGZSA-N 1 2 294.395 0.592 20 30 CCEDLO C=CCCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CC)C[C@@H]21 ZINC001219064300 804189673 /nfs/dbraw/zinc/18/96/73/804189673.db2.gz UEMSJSXXCBNKLD-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C=CCCOCC(=O)N1CCO[C@@H]2C[N@H+](CC#CC)C[C@@H]21 ZINC001219064300 804189678 /nfs/dbraw/zinc/18/96/78/804189678.db2.gz UEMSJSXXCBNKLD-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C#N)ccc(F)c1F ZINC001219315360 804267731 /nfs/dbraw/zinc/26/77/31/804267731.db2.gz WONRZBHYXRQEJH-QMMMGPOBSA-N 1 2 283.234 0.665 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219344103 804279758 /nfs/dbraw/zinc/27/97/58/804279758.db2.gz ABQLKOHALUKWKT-NEPJUHHUSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219344103 804279763 /nfs/dbraw/zinc/27/97/63/804279763.db2.gz ABQLKOHALUKWKT-NEPJUHHUSA-N 1 2 279.340 0.611 20 30 CCEDLO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219378720 804290625 /nfs/dbraw/zinc/29/06/25/804290625.db2.gz DAAWPUJHLFXFTE-BNOWGMLFSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219378720 804290630 /nfs/dbraw/zinc/29/06/30/804290630.db2.gz DAAWPUJHLFXFTE-BNOWGMLFSA-N 1 2 288.351 0.211 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001219379795 804292398 /nfs/dbraw/zinc/29/23/98/804292398.db2.gz ZFWMAICUQJYCDF-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001219379795 804292402 /nfs/dbraw/zinc/29/24/02/804292402.db2.gz ZFWMAICUQJYCDF-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C(C)C)[C@@H](O)C1 ZINC001219607029 804372321 /nfs/dbraw/zinc/37/23/21/804372321.db2.gz ANKZPEFJFSALKM-RDBSUJKOSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C(C)C)[C@@H](O)C1 ZINC001219607029 804372328 /nfs/dbraw/zinc/37/23/28/804372328.db2.gz ANKZPEFJFSALKM-RDBSUJKOSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)[C@@H](O)C1 ZINC001219776710 804421061 /nfs/dbraw/zinc/42/10/61/804421061.db2.gz DGNNCFQXFNWKHV-OLZOCXBDSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)[C@@H](O)C1 ZINC001219776710 804421064 /nfs/dbraw/zinc/42/10/64/804421064.db2.gz DGNNCFQXFNWKHV-OLZOCXBDSA-N 1 2 264.369 0.607 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001219921115 804447949 /nfs/dbraw/zinc/44/79/49/804447949.db2.gz BMGZRNXMIROUKT-OLZOCXBDSA-N 1 2 298.358 0.080 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001219921115 804447952 /nfs/dbraw/zinc/44/79/52/804447952.db2.gz BMGZRNXMIROUKT-OLZOCXBDSA-N 1 2 298.358 0.080 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001220046927 804484480 /nfs/dbraw/zinc/48/44/80/804484480.db2.gz KDVSTEVQSKPDEF-CABZTGNLSA-N 1 2 275.308 0.626 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@@H](O)C1 ZINC001220291828 804564160 /nfs/dbraw/zinc/56/41/60/804564160.db2.gz HWZYWSLVKPLNKF-DYEKYZERSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@@H](O)C1 ZINC001220291828 804564164 /nfs/dbraw/zinc/56/41/64/804564164.db2.gz HWZYWSLVKPLNKF-DYEKYZERSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220774858 804664469 /nfs/dbraw/zinc/66/44/69/804664469.db2.gz WYOHLDPFAMPLFS-AXFHLTTASA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220774858 804664471 /nfs/dbraw/zinc/66/44/71/804664471.db2.gz WYOHLDPFAMPLFS-AXFHLTTASA-N 1 2 292.301 0.760 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221219680 804750563 /nfs/dbraw/zinc/75/05/63/804750563.db2.gz FJEGPGYYTQYEEZ-ZIAGYGMSSA-N 1 2 291.395 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221219680 804750568 /nfs/dbraw/zinc/75/05/68/804750568.db2.gz FJEGPGYYTQYEEZ-ZIAGYGMSSA-N 1 2 291.395 0.621 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243295 804756154 /nfs/dbraw/zinc/75/61/54/804756154.db2.gz HNAWYJXOJGZVJV-CYZMBNFOSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243295 804756162 /nfs/dbraw/zinc/75/61/62/804756162.db2.gz HNAWYJXOJGZVJV-CYZMBNFOSA-N 1 2 299.802 0.796 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221441304 804815713 /nfs/dbraw/zinc/81/57/13/804815713.db2.gz ALISROUVEDGOGU-VXGBXAGGSA-N 1 2 256.321 0.691 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221441304 804815718 /nfs/dbraw/zinc/81/57/18/804815718.db2.gz ALISROUVEDGOGU-VXGBXAGGSA-N 1 2 256.321 0.691 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001276908259 804984894 /nfs/dbraw/zinc/98/48/94/804984894.db2.gz FJZPXSRFUMHHEG-HUUCEWRRSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001276908259 804984898 /nfs/dbraw/zinc/98/48/98/804984898.db2.gz FJZPXSRFUMHHEG-HUUCEWRRSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001277055379 805141836 /nfs/dbraw/zinc/14/18/36/805141836.db2.gz OTNNEKSVWJFBGN-NSHDSACASA-N 1 2 277.324 0.451 20 30 CCEDLO C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226640294 805260579 /nfs/dbraw/zinc/26/05/79/805260579.db2.gz LPTYELJXWRUAIK-WDEREUQCSA-N 1 2 290.371 0.616 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@H](C#N)c2ccccc2)C[NH2+]1 ZINC001246075343 807142485 /nfs/dbraw/zinc/14/24/85/807142485.db2.gz SSRYHWNLLLHUIM-FRRDWIJNSA-N 1 2 259.309 0.744 20 30 CCEDLO C=CCOC(=O)[C@H](CC(C)C)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246214557 807188810 /nfs/dbraw/zinc/18/88/10/807188810.db2.gz FMHBLRLYSJTQSO-AVGNSLFASA-N 1 2 298.383 0.623 20 30 CCEDLO C=CCCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001247594959 807468119 /nfs/dbraw/zinc/46/81/19/807468119.db2.gz KAHRLLYLEQHXOT-LBPRGKRZSA-N 1 2 269.414 0.844 20 30 CCEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278499339 807507034 /nfs/dbraw/zinc/50/70/34/807507034.db2.gz DQLUUSCMYNGECZ-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278499339 807507039 /nfs/dbraw/zinc/50/70/39/807507039.db2.gz DQLUUSCMYNGECZ-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO CN1CC[N@H+](Cc2cnn3ccc(C#N)cc23)CCC1=O ZINC001249106386 807541844 /nfs/dbraw/zinc/54/18/44/807541844.db2.gz GYGLPAQYQMUNKB-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO CN1CC[N@@H+](Cc2cnn3ccc(C#N)cc23)CCC1=O ZINC001249106386 807541848 /nfs/dbraw/zinc/54/18/48/807541848.db2.gz GYGLPAQYQMUNKB-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO C#CCc1ccc(NCC[NH+]2CCN(C)CC2)nc1 ZINC001249948365 807581698 /nfs/dbraw/zinc/58/16/98/807581698.db2.gz VDYPEYJOYDVQIB-UHFFFAOYSA-N 1 2 258.369 0.917 20 30 CCEDLO N#Cc1cncc(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251004496 807635713 /nfs/dbraw/zinc/63/57/13/807635713.db2.gz VNZQIDBDSUQQQB-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(F)c1F ZINC001251025974 807645358 /nfs/dbraw/zinc/64/53/58/807645358.db2.gz LDTZTRRLKUTMFU-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO N#Cc1cccc(O)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251028638 807647576 /nfs/dbraw/zinc/64/75/76/807647576.db2.gz LDJYBRPYGPFXEM-LBPRGKRZSA-N 1 2 277.324 0.369 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001251857375 807723954 /nfs/dbraw/zinc/72/39/54/807723954.db2.gz BEJDTODHOZDGRC-GFCCVEGCSA-N 1 2 255.314 0.025 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001251860211 807725800 /nfs/dbraw/zinc/72/58/00/807725800.db2.gz FGBYHFIZLGLCKX-LLVKDONJSA-N 1 2 250.298 0.352 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001251860211 807725803 /nfs/dbraw/zinc/72/58/03/807725803.db2.gz FGBYHFIZLGLCKX-LLVKDONJSA-N 1 2 250.298 0.352 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001252454036 807870116 /nfs/dbraw/zinc/87/01/16/807870116.db2.gz MOXWNUZDHKLRIL-CYBMUJFWSA-N 1 2 294.351 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001038490316 815155817 /nfs/dbraw/zinc/15/58/17/815155817.db2.gz XZTPCXQOOJOPNJ-KBPBESRZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001038490316 815155822 /nfs/dbraw/zinc/15/58/22/815155822.db2.gz XZTPCXQOOJOPNJ-KBPBESRZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc(C)ccn23)[C@@H](O)C1 ZINC001083488201 815158157 /nfs/dbraw/zinc/15/81/57/815158157.db2.gz ZCIBZXFAFTYRSM-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)ccn23)[C@@H](O)C1 ZINC001083488201 815158162 /nfs/dbraw/zinc/15/81/62/815158162.db2.gz ZCIBZXFAFTYRSM-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001252597878 807916781 /nfs/dbraw/zinc/91/67/81/807916781.db2.gz FYQDHHULCJTNLW-NWDGAFQWSA-N 1 2 284.356 0.067 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001252597878 807916783 /nfs/dbraw/zinc/91/67/83/807916783.db2.gz FYQDHHULCJTNLW-NWDGAFQWSA-N 1 2 284.356 0.067 20 30 CCEDLO C=CC[NH+]1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC001253451674 808068988 /nfs/dbraw/zinc/06/89/88/808068988.db2.gz CZOKXMPCDFOMBZ-ZDUSSCGKSA-N 1 2 256.390 0.966 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)C#CC1CC1)c1csnn1 ZINC001126881651 815181174 /nfs/dbraw/zinc/18/11/74/815181174.db2.gz XLCSEIYSFNTIJA-SECBINFHSA-N 1 2 264.354 0.718 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001278864194 808354700 /nfs/dbraw/zinc/35/47/00/808354700.db2.gz TTWPIWAAMTYXSJ-ZDUSSCGKSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)COC ZINC001255569621 808403820 /nfs/dbraw/zinc/40/38/20/808403820.db2.gz HOIXQKVFXHLZPK-DGCLKSJQSA-N 1 2 280.372 0.952 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)COC ZINC001255569621 808403823 /nfs/dbraw/zinc/40/38/23/808403823.db2.gz HOIXQKVFXHLZPK-DGCLKSJQSA-N 1 2 280.372 0.952 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260041936 808838649 /nfs/dbraw/zinc/83/86/49/808838649.db2.gz QGGBSZZNOTZPCJ-KBPBESRZSA-N 1 2 291.376 0.776 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260041936 808838654 /nfs/dbraw/zinc/83/86/54/808838654.db2.gz QGGBSZZNOTZPCJ-KBPBESRZSA-N 1 2 291.376 0.776 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077132 809185053 /nfs/dbraw/zinc/18/50/53/809185053.db2.gz TWEWRTNZKDHAJD-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077132 809185060 /nfs/dbraw/zinc/18/50/60/809185060.db2.gz TWEWRTNZKDHAJD-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC001263805093 809574266 /nfs/dbraw/zinc/57/42/66/809574266.db2.gz LDGGWQPNAWWMFX-UONOGXRCSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC001263805093 809574271 /nfs/dbraw/zinc/57/42/71/809574271.db2.gz LDGGWQPNAWWMFX-UONOGXRCSA-N 1 2 290.367 0.274 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263830599 809582071 /nfs/dbraw/zinc/58/20/71/809582071.db2.gz QHBLWOROFRRBAM-NEPJUHHUSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263895717 809601665 /nfs/dbraw/zinc/60/16/65/809601665.db2.gz DXHIOYSVNHRZOC-ZDUSSCGKSA-N 1 2 290.367 0.951 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263895717 809601669 /nfs/dbraw/zinc/60/16/69/809601669.db2.gz DXHIOYSVNHRZOC-ZDUSSCGKSA-N 1 2 290.367 0.951 20 30 CCEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001265205363 809723771 /nfs/dbraw/zinc/72/37/71/809723771.db2.gz HZLHCYUMRDXDHF-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001265205363 809723775 /nfs/dbraw/zinc/72/37/75/809723775.db2.gz HZLHCYUMRDXDHF-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001265226730 809728219 /nfs/dbraw/zinc/72/82/19/809728219.db2.gz JDTIZDHZZFIMTC-VXGBXAGGSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001265226730 809728224 /nfs/dbraw/zinc/72/82/24/809728224.db2.gz JDTIZDHZZFIMTC-VXGBXAGGSA-N 1 2 290.367 0.007 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001265271050 809738518 /nfs/dbraw/zinc/73/85/18/809738518.db2.gz QMWUFVZERANRRA-RYUDHWBXSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001265271050 809738523 /nfs/dbraw/zinc/73/85/23/809738523.db2.gz QMWUFVZERANRRA-RYUDHWBXSA-N 1 2 267.373 0.525 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#C)C1 ZINC001265278743 809743336 /nfs/dbraw/zinc/74/33/36/809743336.db2.gz JLJWDNPLJVHCAI-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#C)C1 ZINC001265278743 809743339 /nfs/dbraw/zinc/74/33/39/809743339.db2.gz JLJWDNPLJVHCAI-CQSZACIVSA-N 1 2 289.379 0.120 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001280399104 810014370 /nfs/dbraw/zinc/01/43/70/810014370.db2.gz HKQKSIFZDHNQJA-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001280399104 810014374 /nfs/dbraw/zinc/01/43/74/810014374.db2.gz HKQKSIFZDHNQJA-GFCCVEGCSA-N 1 2 256.346 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076682360 815344596 /nfs/dbraw/zinc/34/45/96/815344596.db2.gz XLBQCTDVQKYOSE-GHMZBOCLSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076682360 815344602 /nfs/dbraw/zinc/34/46/02/815344602.db2.gz XLBQCTDVQKYOSE-GHMZBOCLSA-N 1 2 264.350 0.465 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nn1 ZINC001168367477 815389806 /nfs/dbraw/zinc/38/98/06/815389806.db2.gz OIJVMDUNEOZWCX-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nn1 ZINC001168367477 815389812 /nfs/dbraw/zinc/38/98/12/815389812.db2.gz OIJVMDUNEOZWCX-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721557981 811108186 /nfs/dbraw/zinc/10/81/86/811108186.db2.gz GPIBRNMMZIHRBO-LBPRGKRZSA-N 1 2 260.297 0.884 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721557981 811108191 /nfs/dbraw/zinc/10/81/91/811108191.db2.gz GPIBRNMMZIHRBO-LBPRGKRZSA-N 1 2 260.297 0.884 20 30 CCEDLO Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)oc1C ZINC001267355442 811205684 /nfs/dbraw/zinc/20/56/84/811205684.db2.gz RPOYUAZHLPMIFK-VIFPVBQESA-N 1 2 264.329 0.999 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001267366418 811222655 /nfs/dbraw/zinc/22/26/55/811222655.db2.gz GGWHUSHPAUNBFJ-ZDUSSCGKSA-N 1 2 282.344 0.253 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077035856 815435262 /nfs/dbraw/zinc/43/52/62/815435262.db2.gz QFPRTSXBALSAML-HZPDHXFCSA-N 1 2 298.386 1.000 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077035856 815435267 /nfs/dbraw/zinc/43/52/67/815435267.db2.gz QFPRTSXBALSAML-HZPDHXFCSA-N 1 2 298.386 1.000 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cnsn2)[nH]1 ZINC001125776689 811321240 /nfs/dbraw/zinc/32/12/40/811321240.db2.gz UZOWEWQISKETDG-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038308781 811391631 /nfs/dbraw/zinc/39/16/31/811391631.db2.gz DACLRAPHFYCINQ-CYBMUJFWSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038308781 811391645 /nfs/dbraw/zinc/39/16/45/811391645.db2.gz DACLRAPHFYCINQ-CYBMUJFWSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001077118077 815448418 /nfs/dbraw/zinc/44/84/18/815448418.db2.gz BDDCSFMUVPEQMB-NXEZZACHSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001077118077 815448421 /nfs/dbraw/zinc/44/84/21/815448421.db2.gz BDDCSFMUVPEQMB-NXEZZACHSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@]2(C)CCOC2)CC1 ZINC001267576531 811471890 /nfs/dbraw/zinc/47/18/90/811471890.db2.gz ZKNHBSILFIVWFV-MRXNPFEDSA-N 1 2 293.411 0.122 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001098168093 811503448 /nfs/dbraw/zinc/50/34/48/811503448.db2.gz STXKGDZBSCYYTR-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077182258 815457056 /nfs/dbraw/zinc/45/70/56/815457056.db2.gz HVTYHNDRKWJLHF-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001267614951 811567947 /nfs/dbraw/zinc/56/79/47/811567947.db2.gz VRFCTBOEDMKVHC-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001267614951 811567952 /nfs/dbraw/zinc/56/79/52/811567952.db2.gz VRFCTBOEDMKVHC-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO CC[C@@H](C[NH+]1CC(NC(=O)CSCC#N)C1)OC ZINC001267637752 811599444 /nfs/dbraw/zinc/59/94/44/811599444.db2.gz ZMFTXTCWPMNHDF-NSHDSACASA-N 1 2 271.386 0.469 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001267644979 811611220 /nfs/dbraw/zinc/61/12/20/811611220.db2.gz HHNUFYIAELGUCL-UHFFFAOYSA-N 1 2 268.357 0.252 20 30 CCEDLO C=CCC1(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001267692846 811657425 /nfs/dbraw/zinc/65/74/25/811657425.db2.gz NIZDGUWNCFGMOF-CYBMUJFWSA-N 1 2 291.395 0.669 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001267706054 811668487 /nfs/dbraw/zinc/66/84/87/811668487.db2.gz YPNVFGXSVMZNFY-AGIUHOORSA-N 1 2 279.384 0.762 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001267706054 811668488 /nfs/dbraw/zinc/66/84/88/811668488.db2.gz YPNVFGXSVMZNFY-AGIUHOORSA-N 1 2 279.384 0.762 20 30 CCEDLO CC(C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)=C1CCC1 ZINC001267722995 811687664 /nfs/dbraw/zinc/68/76/64/811687664.db2.gz TZJONWAZOVKYIN-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO CC(C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)=C1CCC1 ZINC001267722995 811687666 /nfs/dbraw/zinc/68/76/66/811687666.db2.gz TZJONWAZOVKYIN-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001077320310 815480165 /nfs/dbraw/zinc/48/01/65/815480165.db2.gz WKRUBNGVZCGLBB-HUUCEWRRSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001077320310 815480171 /nfs/dbraw/zinc/48/01/71/815480171.db2.gz WKRUBNGVZCGLBB-HUUCEWRRSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001267919578 811869980 /nfs/dbraw/zinc/86/99/80/811869980.db2.gz KOAVDELZCWWEMQ-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001267919578 811869989 /nfs/dbraw/zinc/86/99/89/811869989.db2.gz KOAVDELZCWWEMQ-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC(=C)C3)C2)nn1 ZINC001105323749 811915838 /nfs/dbraw/zinc/91/58/38/811915838.db2.gz HLUQCDQCBYUFBE-UHFFFAOYSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001105334206 811940620 /nfs/dbraw/zinc/94/06/20/811940620.db2.gz ZGPMSCSWKFYORN-ZDUSSCGKSA-N 1 2 285.351 0.184 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001077395738 815492286 /nfs/dbraw/zinc/49/22/86/815492286.db2.gz APGRDWJDXYXQTG-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001077395738 815492289 /nfs/dbraw/zinc/49/22/89/815492289.db2.gz APGRDWJDXYXQTG-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2cncs2)C1 ZINC001268025217 811992687 /nfs/dbraw/zinc/99/26/87/811992687.db2.gz OYIZFTLCCCSABJ-LLVKDONJSA-N 1 2 281.381 0.689 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2cncs2)C1 ZINC001268025217 811992690 /nfs/dbraw/zinc/99/26/90/811992690.db2.gz OYIZFTLCCCSABJ-LLVKDONJSA-N 1 2 281.381 0.689 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754751 812044491 /nfs/dbraw/zinc/04/44/91/812044491.db2.gz ZWJTXRQMFSDALV-LLVKDONJSA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754751 812044500 /nfs/dbraw/zinc/04/45/00/812044500.db2.gz ZWJTXRQMFSDALV-LLVKDONJSA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001077418907 815497387 /nfs/dbraw/zinc/49/73/87/815497387.db2.gz CCACMRTUOZPWAL-ZIAGYGMSSA-N 1 2 287.363 0.415 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001077418907 815497391 /nfs/dbraw/zinc/49/73/91/815497391.db2.gz CCACMRTUOZPWAL-ZIAGYGMSSA-N 1 2 287.363 0.415 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001038123156 815503953 /nfs/dbraw/zinc/50/39/53/815503953.db2.gz NYTKMPSSGAZLJV-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001038123156 815503956 /nfs/dbraw/zinc/50/39/56/815503956.db2.gz NYTKMPSSGAZLJV-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)CNCC#N ZINC001268071169 812185809 /nfs/dbraw/zinc/18/58/09/812185809.db2.gz NXYJWPXFTQCYMM-LLVKDONJSA-N 1 2 276.340 0.593 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001268157902 812312586 /nfs/dbraw/zinc/31/25/86/812312586.db2.gz FPUAMCXCYMSCAI-OLZOCXBDSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001268157902 812312597 /nfs/dbraw/zinc/31/25/97/812312597.db2.gz FPUAMCXCYMSCAI-OLZOCXBDSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001038940187 812412722 /nfs/dbraw/zinc/41/27/22/812412722.db2.gz WPEOQCZPIREBRS-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001038940187 812412726 /nfs/dbraw/zinc/41/27/26/812412726.db2.gz WPEOQCZPIREBRS-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(COC)CCOCC2)C1 ZINC001268318634 812481876 /nfs/dbraw/zinc/48/18/76/812481876.db2.gz USSUWTWFISWROI-UHFFFAOYSA-N 1 2 280.368 0.253 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211746399 812618505 /nfs/dbraw/zinc/61/85/05/812618505.db2.gz ZJRLGNHNZJNNKK-ZIAGYGMSSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211746399 812618510 /nfs/dbraw/zinc/61/85/10/812618510.db2.gz ZJRLGNHNZJNNKK-ZIAGYGMSSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)[C@@H](O)C1 ZINC001083632924 815575467 /nfs/dbraw/zinc/57/54/67/815575467.db2.gz WYACBUVPMOZHNS-NEPJUHHUSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)[C@@H](O)C1 ZINC001083632924 815575470 /nfs/dbraw/zinc/57/54/70/815575470.db2.gz WYACBUVPMOZHNS-NEPJUHHUSA-N 1 2 291.351 0.380 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001059079444 813241006 /nfs/dbraw/zinc/24/10/06/813241006.db2.gz MJCGKQOSENUELC-NSHDSACASA-N 1 2 297.322 0.327 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001269223990 813274467 /nfs/dbraw/zinc/27/44/67/813274467.db2.gz SKBIHKDLPOZIIS-HUUCEWRRSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001269223990 813274469 /nfs/dbraw/zinc/27/44/69/813274469.db2.gz SKBIHKDLPOZIIS-HUUCEWRRSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001269239387 813286777 /nfs/dbraw/zinc/28/67/77/813286777.db2.gz ADSQHORPBHFNIU-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001269239387 813286779 /nfs/dbraw/zinc/28/67/79/813286779.db2.gz ADSQHORPBHFNIU-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001269267484 813297620 /nfs/dbraw/zinc/29/76/20/813297620.db2.gz YYTHMLXRIMPEAL-CHWSQXEVSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001269267484 813297625 /nfs/dbraw/zinc/29/76/25/813297625.db2.gz YYTHMLXRIMPEAL-CHWSQXEVSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269291290 813311005 /nfs/dbraw/zinc/31/10/05/813311005.db2.gz IHSUUQDKQFIQFH-ZNMIVQPWSA-N 1 2 292.379 0.418 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269291290 813311013 /nfs/dbraw/zinc/31/10/13/813311013.db2.gz IHSUUQDKQFIQFH-ZNMIVQPWSA-N 1 2 292.379 0.418 20 30 CCEDLO C=CCN1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001269298613 813315342 /nfs/dbraw/zinc/31/53/42/813315342.db2.gz MBLQJKIPPYXZIH-OAHLLOKOSA-N 1 2 288.351 0.520 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc[nH]1 ZINC001269352450 813335538 /nfs/dbraw/zinc/33/55/38/813335538.db2.gz UMBUTQIWOBTWFZ-ZDUSSCGKSA-N 1 2 290.367 0.050 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CNC(=O)Cc1ccc[nH]1 ZINC001269352450 813335546 /nfs/dbraw/zinc/33/55/46/813335546.db2.gz UMBUTQIWOBTWFZ-ZDUSSCGKSA-N 1 2 290.367 0.050 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001269356256 813337962 /nfs/dbraw/zinc/33/79/62/813337962.db2.gz NZMSLBTUMSZCDO-WCQYABFASA-N 1 2 260.341 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001269356256 813337969 /nfs/dbraw/zinc/33/79/69/813337969.db2.gz NZMSLBTUMSZCDO-WCQYABFASA-N 1 2 260.341 0.347 20 30 CCEDLO C=CCCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001269764007 813497329 /nfs/dbraw/zinc/49/73/29/813497329.db2.gz LMBCLMQULTVBLZ-UHFFFAOYSA-N 1 2 263.345 0.387 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001038408974 813548091 /nfs/dbraw/zinc/54/80/91/813548091.db2.gz GCXCSZKYFVNRAU-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001038408974 813548093 /nfs/dbraw/zinc/54/80/93/813548093.db2.gz GCXCSZKYFVNRAU-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001075747927 813706461 /nfs/dbraw/zinc/70/64/61/813706461.db2.gz HRICEMLCTZXDGI-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001075747927 813706468 /nfs/dbraw/zinc/70/64/68/813706468.db2.gz HRICEMLCTZXDGI-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C[C@]1(NC(=O)c2ccoc2)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270537882 813803976 /nfs/dbraw/zinc/80/39/76/813803976.db2.gz LIQKBCWVEQKNHA-AWEZNQCLSA-N 1 2 290.323 0.114 20 30 CCEDLO C[C@]1(NC(=O)c2ccoc2)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270537882 813803990 /nfs/dbraw/zinc/80/39/90/813803990.db2.gz LIQKBCWVEQKNHA-AWEZNQCLSA-N 1 2 290.323 0.114 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001270628612 813853609 /nfs/dbraw/zinc/85/36/09/813853609.db2.gz HFENJRMYLPNLAJ-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001270628612 813853620 /nfs/dbraw/zinc/85/36/20/813853620.db2.gz HFENJRMYLPNLAJ-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)c[nH]1 ZINC001083418398 814245464 /nfs/dbraw/zinc/24/54/64/814245464.db2.gz HWNJTBOMPFCCOX-HHDBNCKJSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)c[nH]1 ZINC001083418398 814245471 /nfs/dbraw/zinc/24/54/71/814245471.db2.gz HWNJTBOMPFCCOX-HHDBNCKJSA-N 1 2 294.742 0.414 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001083420384 814291409 /nfs/dbraw/zinc/29/14/09/814291409.db2.gz AUWZVHCOXHGPSS-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](O)C1 ZINC001083420384 814291416 /nfs/dbraw/zinc/29/14/16/814291416.db2.gz AUWZVHCOXHGPSS-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001271275809 814362852 /nfs/dbraw/zinc/36/28/52/814362852.db2.gz FVCGAPICQYOHMQ-UONOGXRCSA-N 1 2 294.395 0.376 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001271349481 814388145 /nfs/dbraw/zinc/38/81/45/814388145.db2.gz GWEJRHXFPPVPKS-CHWSQXEVSA-N 1 2 282.384 0.541 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211897110 814445931 /nfs/dbraw/zinc/44/59/31/814445931.db2.gz VPOWWYCQCYYBRZ-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211897110 814445937 /nfs/dbraw/zinc/44/59/37/814445937.db2.gz VPOWWYCQCYYBRZ-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001271862490 814613848 /nfs/dbraw/zinc/61/38/48/814613848.db2.gz XXNZGZFYMJFICR-OLZOCXBDSA-N 1 2 289.383 0.699 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cn1cc[nH+]c1 ZINC001105419100 814622119 /nfs/dbraw/zinc/62/21/19/814622119.db2.gz GMHRBHIPEYYAME-UHFFFAOYSA-N 1 2 298.350 0.745 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cncs2)C1 ZINC001271943609 814638353 /nfs/dbraw/zinc/63/83/53/814638353.db2.gz ZQRNNYXMORWEJE-ZDUSSCGKSA-N 1 2 279.365 0.333 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cncs2)C1 ZINC001271943609 814638357 /nfs/dbraw/zinc/63/83/57/814638357.db2.gz ZQRNNYXMORWEJE-ZDUSSCGKSA-N 1 2 279.365 0.333 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)/C=C\C(C)(C)C ZINC001271976991 814660444 /nfs/dbraw/zinc/66/04/44/814660444.db2.gz FYDQUWILVXVXPH-HJWRWDBZSA-N 1 2 293.411 0.728 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)/C=C\C(C)(C)C ZINC001271976991 814660448 /nfs/dbraw/zinc/66/04/48/814660448.db2.gz FYDQUWILVXVXPH-HJWRWDBZSA-N 1 2 293.411 0.728 20 30 CCEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001088410609 814676315 /nfs/dbraw/zinc/67/63/15/814676315.db2.gz LZBKHSHSKLXVGX-GFCCVEGCSA-N 1 2 275.356 0.341 20 30 CCEDLO C#CCOCCC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001272013992 814717539 /nfs/dbraw/zinc/71/75/39/814717539.db2.gz ULPNLGKAALTKJS-UHFFFAOYSA-N 1 2 292.383 0.350 20 30 CCEDLO C#CCOCCC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001272013992 814717546 /nfs/dbraw/zinc/71/75/46/814717546.db2.gz ULPNLGKAALTKJS-UHFFFAOYSA-N 1 2 292.383 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](O)C1 ZINC001083640615 815583896 /nfs/dbraw/zinc/58/38/96/815583896.db2.gz ZHKVGUHOPBWEQH-KGLIPLIRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](O)C1 ZINC001083640615 815583899 /nfs/dbraw/zinc/58/38/99/815583899.db2.gz ZHKVGUHOPBWEQH-KGLIPLIRSA-N 1 2 287.363 0.497 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059697652 814730579 /nfs/dbraw/zinc/73/05/79/814730579.db2.gz VZPYUHMVEOHMIP-TXEJJXNPSA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001059847209 814894882 /nfs/dbraw/zinc/89/48/82/814894882.db2.gz CHVRQKNESSSVLA-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001030300774 815966174 /nfs/dbraw/zinc/96/61/74/815966174.db2.gz MJFBTVPJZPZDKY-UHFFFAOYSA-N 1 2 297.362 0.853 20 30 CCEDLO C=CCN1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030349587 815989127 /nfs/dbraw/zinc/98/91/27/815989127.db2.gz ODZWXJRYUBUMPI-UHFFFAOYSA-N 1 2 274.368 0.748 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001030396004 816012612 /nfs/dbraw/zinc/01/26/12/816012612.db2.gz QASBWTLJPIACCW-ZDUSSCGKSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001030416697 816025758 /nfs/dbraw/zinc/02/57/58/816025758.db2.gz RZHDTURDPZOZFC-UHFFFAOYSA-N 1 2 282.294 0.644 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001030437473 816040009 /nfs/dbraw/zinc/04/00/09/816040009.db2.gz YADOBBSQBUZOAO-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001030504701 816074435 /nfs/dbraw/zinc/07/44/35/816074435.db2.gz WBNYIAARQBYDKX-UHFFFAOYSA-N 1 2 276.340 0.377 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1CC#N ZINC001088867911 816126079 /nfs/dbraw/zinc/12/60/79/816126079.db2.gz YXXBRGUHRHCVTM-LPWJVIDDSA-N 1 2 287.367 0.626 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001030612177 816147386 /nfs/dbraw/zinc/14/73/86/816147386.db2.gz HEZQOOPJNSUCDX-UHFFFAOYSA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001077478121 816153295 /nfs/dbraw/zinc/15/32/95/816153295.db2.gz YFPXPTVBXSHTHC-CHWSQXEVSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001077478121 816153299 /nfs/dbraw/zinc/15/32/99/816153299.db2.gz YFPXPTVBXSHTHC-CHWSQXEVSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CCN1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001030672877 816203016 /nfs/dbraw/zinc/20/30/16/816203016.db2.gz TXTYUIFIPMEXPC-UHFFFAOYSA-N 1 2 254.293 0.382 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@@H]2C)C1 ZINC001030729370 816254635 /nfs/dbraw/zinc/25/46/35/816254635.db2.gz RQKZPQZBIDMAMO-RISCZKNCSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001030730903 816255324 /nfs/dbraw/zinc/25/53/24/816255324.db2.gz TWMFBOFTFPLQSG-UHFFFAOYSA-N 1 2 299.334 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001030817397 816314827 /nfs/dbraw/zinc/31/48/27/816314827.db2.gz JGZNUEAZBSDYQR-UHFFFAOYSA-N 1 2 251.311 0.286 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OC)cn2)C1 ZINC001030840856 816335314 /nfs/dbraw/zinc/33/53/14/816335314.db2.gz WEKMUCOERAZJIQ-UHFFFAOYSA-N 1 2 273.336 0.456 20 30 CCEDLO C=CCCC(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001272381380 816377194 /nfs/dbraw/zinc/37/71/94/816377194.db2.gz RNIQKYZICIFZGX-JTQLQIEISA-N 1 2 270.358 0.071 20 30 CCEDLO Cc1nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001127259523 816515738 /nfs/dbraw/zinc/51/57/38/816515738.db2.gz VWDCGWLQWQZLLE-NSHDSACASA-N 1 2 291.355 0.832 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030977388 816525447 /nfs/dbraw/zinc/52/54/47/816525447.db2.gz KUPQHDMVKHDQRZ-NEPJUHHUSA-N 1 2 256.321 0.738 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2coc(COC)n2)C1 ZINC001031164877 816725138 /nfs/dbraw/zinc/72/51/38/816725138.db2.gz SQGMWWUFIMZWFM-UHFFFAOYSA-N 1 2 265.313 0.811 20 30 CCEDLO C[C@H](CCNc1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426618 816767764 /nfs/dbraw/zinc/76/77/64/816767764.db2.gz MCYYHHSMDXENJD-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO N#CCN1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001031194847 816780952 /nfs/dbraw/zinc/78/09/52/816780952.db2.gz FKNSAYLRDYLIBF-UHFFFAOYSA-N 1 2 281.319 0.810 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001031332513 816987014 /nfs/dbraw/zinc/98/70/14/816987014.db2.gz FLPZYSRFEJPLIS-INIZCTEOSA-N 1 2 284.359 0.952 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001031379239 817013401 /nfs/dbraw/zinc/01/34/01/817013401.db2.gz MGUYLWGLBWNAIA-UHFFFAOYSA-N 1 2 262.357 0.946 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001031442896 817058751 /nfs/dbraw/zinc/05/87/51/817058751.db2.gz WYODMJRMWYNSFQ-UHFFFAOYSA-N 1 2 297.362 0.714 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cc1 ZINC001031892318 817446303 /nfs/dbraw/zinc/44/63/03/817446303.db2.gz WWZKTRWKGXZNGH-OAHLLOKOSA-N 1 2 297.358 0.218 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001124488253 817488530 /nfs/dbraw/zinc/48/85/30/817488530.db2.gz MLSKZDXHTOGWPS-JTQLQIEISA-N 1 2 284.385 0.725 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001032210418 817706243 /nfs/dbraw/zinc/70/62/43/817706243.db2.gz GTSJOZOKNNOFQW-CYBMUJFWSA-N 1 2 299.802 0.798 20 30 CCEDLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032235428 817737286 /nfs/dbraw/zinc/73/72/86/817737286.db2.gz LHGUNOQYAMIZJV-GJZGRUSLSA-N 1 2 285.347 0.990 20 30 CCEDLO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032235428 817737291 /nfs/dbraw/zinc/73/72/91/817737291.db2.gz LHGUNOQYAMIZJV-GJZGRUSLSA-N 1 2 285.347 0.990 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001077588438 817852310 /nfs/dbraw/zinc/85/23/10/817852310.db2.gz FBXGYGPQYYDBGZ-CZUORRHYSA-N 1 2 297.358 0.586 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001077588438 817852317 /nfs/dbraw/zinc/85/23/17/817852317.db2.gz FBXGYGPQYYDBGZ-CZUORRHYSA-N 1 2 297.358 0.586 20 30 CCEDLO C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707276 817954192 /nfs/dbraw/zinc/95/41/92/817954192.db2.gz JTYRPKSUQWBWCA-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CSCC#N)C1 ZINC001107753803 817983301 /nfs/dbraw/zinc/98/33/01/817983301.db2.gz MRGOFNWCLRYVEL-CQSZACIVSA-N 1 2 295.408 0.474 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CSCC#N)C1 ZINC001107753803 817983307 /nfs/dbraw/zinc/98/33/07/817983307.db2.gz MRGOFNWCLRYVEL-CQSZACIVSA-N 1 2 295.408 0.474 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001083799159 818057171 /nfs/dbraw/zinc/05/71/71/818057171.db2.gz NPDBRNHPTHYLMD-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001083799159 818057180 /nfs/dbraw/zinc/05/71/80/818057180.db2.gz NPDBRNHPTHYLMD-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001083803512 818060549 /nfs/dbraw/zinc/06/05/49/818060549.db2.gz YBSFANXSBIEKPK-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001083803512 818060555 /nfs/dbraw/zinc/06/05/55/818060555.db2.gz YBSFANXSBIEKPK-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCOCC1 ZINC001032822507 818068817 /nfs/dbraw/zinc/06/88/17/818068817.db2.gz PAFLGIDCPPFAJN-QEJZJMRPSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCOCC1 ZINC001032822507 818068825 /nfs/dbraw/zinc/06/88/25/818068825.db2.gz PAFLGIDCPPFAJN-QEJZJMRPSA-N 1 2 276.380 0.967 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnsn1 ZINC001038088436 818228972 /nfs/dbraw/zinc/22/89/72/818228972.db2.gz NMMUMFUDEOGDFI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnsn1 ZINC001038088436 818228977 /nfs/dbraw/zinc/22/89/77/818228977.db2.gz NMMUMFUDEOGDFI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090014487 818273098 /nfs/dbraw/zinc/27/30/98/818273098.db2.gz RXWMTPDDJUUWNZ-OLZOCXBDSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090014487 818273103 /nfs/dbraw/zinc/27/31/03/818273103.db2.gz RXWMTPDDJUUWNZ-OLZOCXBDSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001032994102 818409328 /nfs/dbraw/zinc/40/93/28/818409328.db2.gz SRFKCYSVLSODRX-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001032994102 818409331 /nfs/dbraw/zinc/40/93/31/818409331.db2.gz SRFKCYSVLSODRX-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001044378316 818424929 /nfs/dbraw/zinc/42/49/29/818424929.db2.gz NPMMSBRIVWOXLF-ZDUSSCGKSA-N 1 2 281.400 0.426 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc[nH]1 ZINC001273024195 818462501 /nfs/dbraw/zinc/46/25/01/818462501.db2.gz ORIWPRUNVVXIGO-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc[nH]1 ZINC001273024195 818462505 /nfs/dbraw/zinc/46/25/05/818462505.db2.gz ORIWPRUNVVXIGO-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]cn1 ZINC001273024195 818462510 /nfs/dbraw/zinc/46/25/10/818462510.db2.gz ORIWPRUNVVXIGO-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]cn1 ZINC001273024195 818462516 /nfs/dbraw/zinc/46/25/16/818462516.db2.gz ORIWPRUNVVXIGO-OAHLLOKOSA-N 1 2 272.352 1.000 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001033049926 818464327 /nfs/dbraw/zinc/46/43/27/818464327.db2.gz ZITFWBVFUMAAKG-ZJUUUORDSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001033049926 818464330 /nfs/dbraw/zinc/46/43/30/818464330.db2.gz ZITFWBVFUMAAKG-ZJUUUORDSA-N 1 2 287.747 0.380 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044576310 818580353 /nfs/dbraw/zinc/58/03/53/818580353.db2.gz AICJEXZCROGWEF-VXGBXAGGSA-N 1 2 275.356 0.835 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCN(C)C)C2 ZINC001273107428 818619398 /nfs/dbraw/zinc/61/93/98/818619398.db2.gz AAWWAYFGQZPJMB-HNNXBMFYSA-N 1 2 281.400 0.285 20 30 CCEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CCN(C)C)C2 ZINC001273107428 818619401 /nfs/dbraw/zinc/61/94/01/818619401.db2.gz AAWWAYFGQZPJMB-HNNXBMFYSA-N 1 2 281.400 0.285 20 30 CCEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCN(CC#N)C1 ZINC001033212014 818652874 /nfs/dbraw/zinc/65/28/74/818652874.db2.gz OLKRHGXJQDWQJV-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090123177 818666939 /nfs/dbraw/zinc/66/69/39/818666939.db2.gz MMAAJXSCTJELKC-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090123177 818666941 /nfs/dbraw/zinc/66/69/41/818666941.db2.gz MMAAJXSCTJELKC-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033911589 818990446 /nfs/dbraw/zinc/99/04/46/818990446.db2.gz BRSKTVRBPYYSLH-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033911589 818990448 /nfs/dbraw/zinc/99/04/48/818990448.db2.gz BRSKTVRBPYYSLH-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC#C)C[C@@H]1n1ccnn1 ZINC001128907902 819147618 /nfs/dbraw/zinc/14/76/18/819147618.db2.gz KSHFFNWPLLWSGC-CABCVRRESA-N 1 2 299.378 0.446 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC#C)C[C@@H]1n1ccnn1 ZINC001128907902 819147624 /nfs/dbraw/zinc/14/76/24/819147624.db2.gz KSHFFNWPLLWSGC-CABCVRRESA-N 1 2 299.378 0.446 20 30 CCEDLO N#CCN1CCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001034420195 819200592 /nfs/dbraw/zinc/20/05/92/819200592.db2.gz PPYHSTRZSYUUJB-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035280510 819445220 /nfs/dbraw/zinc/44/52/20/819445220.db2.gz ZVSBTWJMMQUOEV-ZDUSSCGKSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035280510 819445226 /nfs/dbraw/zinc/44/52/26/819445226.db2.gz ZVSBTWJMMQUOEV-ZDUSSCGKSA-N 1 2 278.356 0.427 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281427 819447703 /nfs/dbraw/zinc/44/77/03/819447703.db2.gz BKTGDNVHFLLONJ-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281427 819447707 /nfs/dbraw/zinc/44/77/07/819447707.db2.gz BKTGDNVHFLLONJ-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303393 819454926 /nfs/dbraw/zinc/45/49/26/819454926.db2.gz QLUCQPNEWLLGPI-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303393 819454932 /nfs/dbraw/zinc/45/49/32/819454932.db2.gz QLUCQPNEWLLGPI-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330771 819474987 /nfs/dbraw/zinc/47/49/87/819474987.db2.gz BWMNHUNOHDJQEN-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035330771 819474994 /nfs/dbraw/zinc/47/49/94/819474994.db2.gz BWMNHUNOHDJQEN-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC001035358812 819498763 /nfs/dbraw/zinc/49/87/63/819498763.db2.gz TXPVVVDGNSLDSX-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC001035358812 819498767 /nfs/dbraw/zinc/49/87/67/819498767.db2.gz TXPVVVDGNSLDSX-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001035483963 819533221 /nfs/dbraw/zinc/53/32/21/819533221.db2.gz JNSXKHVEWYABBQ-NSHDSACASA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001035483963 819533232 /nfs/dbraw/zinc/53/32/32/819533232.db2.gz JNSXKHVEWYABBQ-NSHDSACASA-N 1 2 292.339 0.107 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001035503585 819541525 /nfs/dbraw/zinc/54/15/25/819541525.db2.gz ZQMYJTVADPSDKN-LBPRGKRZSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001035503585 819541535 /nfs/dbraw/zinc/54/15/35/819541535.db2.gz ZQMYJTVADPSDKN-LBPRGKRZSA-N 1 2 291.351 0.002 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035580050 819576602 /nfs/dbraw/zinc/57/66/02/819576602.db2.gz IOCLXQCBPQAGHW-ZDUSSCGKSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035580050 819576609 /nfs/dbraw/zinc/57/66/09/819576609.db2.gz IOCLXQCBPQAGHW-ZDUSSCGKSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035611134 819589794 /nfs/dbraw/zinc/58/97/94/819589794.db2.gz WUASMTYJXKMDFK-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035611134 819589800 /nfs/dbraw/zinc/58/98/00/819589800.db2.gz WUASMTYJXKMDFK-GFCCVEGCSA-N 1 2 263.341 0.940 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1NCC#N ZINC001036114378 819689596 /nfs/dbraw/zinc/68/95/96/819689596.db2.gz DKPQDUBWSDQIAI-CHWSQXEVSA-N 1 2 289.383 0.703 20 30 CCEDLO CC(C)(C)c1ccc(C#N)c(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001168760449 819696515 /nfs/dbraw/zinc/69/65/15/819696515.db2.gz MQBYLZKRGZKIMV-UHFFFAOYSA-N 1 2 272.312 0.996 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2conc2C)C1 ZINC001108177900 820058137 /nfs/dbraw/zinc/05/81/37/820058137.db2.gz BGTFGLSADDAINN-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2conc2C)C1 ZINC001108177900 820058145 /nfs/dbraw/zinc/05/81/45/820058145.db2.gz BGTFGLSADDAINN-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001080183089 820523910 /nfs/dbraw/zinc/52/39/10/820523910.db2.gz IJZOOXKAZKKHRG-GLXFQSAKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001080183089 820523915 /nfs/dbraw/zinc/52/39/15/820523915.db2.gz IJZOOXKAZKKHRG-GLXFQSAKSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001081336969 820742131 /nfs/dbraw/zinc/74/21/31/820742131.db2.gz VDRDDDRBAIJLQU-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001081336969 820742139 /nfs/dbraw/zinc/74/21/39/820742139.db2.gz VDRDDDRBAIJLQU-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001081478467 820771025 /nfs/dbraw/zinc/77/10/25/820771025.db2.gz YQHAEWWSFDVDFH-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001081478467 820771030 /nfs/dbraw/zinc/77/10/30/820771030.db2.gz YQHAEWWSFDVDFH-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 ZINC001081443134 820775659 /nfs/dbraw/zinc/77/56/59/820775659.db2.gz QGUYSLJWBOELBF-ZYHUDNBSSA-N 1 2 263.297 0.127 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 ZINC001081443134 820775665 /nfs/dbraw/zinc/77/56/65/820775665.db2.gz QGUYSLJWBOELBF-ZYHUDNBSSA-N 1 2 263.297 0.127 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001081599796 820802917 /nfs/dbraw/zinc/80/29/17/820802917.db2.gz MWXWJXWVGFXBEQ-CHWSQXEVSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001081599796 820802921 /nfs/dbraw/zinc/80/29/21/820802921.db2.gz MWXWJXWVGFXBEQ-CHWSQXEVSA-N 1 2 293.392 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082033550 820887862 /nfs/dbraw/zinc/88/78/62/820887862.db2.gz NUKVXVQVQCLGDV-UMVBOHGHSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082033550 820887869 /nfs/dbraw/zinc/88/78/69/820887869.db2.gz NUKVXVQVQCLGDV-UMVBOHGHSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@H](OC)C1 ZINC001082251813 820923755 /nfs/dbraw/zinc/92/37/55/820923755.db2.gz GFSMGGFGBFRFAA-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@H](OC)C1 ZINC001082251813 820923761 /nfs/dbraw/zinc/92/37/61/820923761.db2.gz GFSMGGFGBFRFAA-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1NCC#N ZINC001082601181 821005496 /nfs/dbraw/zinc/00/54/96/821005496.db2.gz ONLLQMJDOSQRNQ-YRGRVCCFSA-N 1 2 287.367 0.406 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H](O)C1 ZINC001090388381 821062121 /nfs/dbraw/zinc/06/21/21/821062121.db2.gz PMYFRBFDRYNYJR-QWHCGFSZSA-N 1 2 290.367 0.249 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H](O)C1 ZINC001090388381 821062129 /nfs/dbraw/zinc/06/21/29/821062129.db2.gz PMYFRBFDRYNYJR-QWHCGFSZSA-N 1 2 290.367 0.249 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCCO3)[C@H]2C1 ZINC001083008108 821104608 /nfs/dbraw/zinc/10/46/08/821104608.db2.gz WAKGLTRASAQITE-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCCO3)[C@H]2C1 ZINC001083008108 821104615 /nfs/dbraw/zinc/10/46/15/821104615.db2.gz WAKGLTRASAQITE-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC3(F)F)[C@H]2C1 ZINC001083073651 821119385 /nfs/dbraw/zinc/11/93/85/821119385.db2.gz NOFRLRBJVYPUQH-OUAUKWLOSA-N 1 2 270.279 0.186 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC3(F)F)[C@H]2C1 ZINC001083073651 821119392 /nfs/dbraw/zinc/11/93/92/821119392.db2.gz NOFRLRBJVYPUQH-OUAUKWLOSA-N 1 2 270.279 0.186 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052594 821128419 /nfs/dbraw/zinc/12/84/19/821128419.db2.gz UMYLREDLUIYUSE-XQQFMLRXSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052594 821128425 /nfs/dbraw/zinc/12/84/25/821128425.db2.gz UMYLREDLUIYUSE-XQQFMLRXSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@](C)(O)C3CC3)[C@H]2C1 ZINC001083055576 821129355 /nfs/dbraw/zinc/12/93/55/821129355.db2.gz OFLFNLNWCSLWAV-LZWOXQAQSA-N 1 2 292.379 0.082 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@](C)(O)C3CC3)[C@H]2C1 ZINC001083055576 821129361 /nfs/dbraw/zinc/12/93/61/821129361.db2.gz OFLFNLNWCSLWAV-LZWOXQAQSA-N 1 2 292.379 0.082 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(C)n3)[C@H]2C1 ZINC001083060743 821131389 /nfs/dbraw/zinc/13/13/89/821131389.db2.gz SFIYIUNKFJSDEY-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(C)n3)[C@H]2C1 ZINC001083060743 821131397 /nfs/dbraw/zinc/13/13/97/821131397.db2.gz SFIYIUNKFJSDEY-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4occc4[nH]3)[C@H]2C1 ZINC001083097470 821139187 /nfs/dbraw/zinc/13/91/87/821139187.db2.gz KHBYAAJQEIYFKB-DZGCQCFKSA-N 1 2 299.330 0.919 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4occc4[nH]3)[C@H]2C1 ZINC001083097470 821139191 /nfs/dbraw/zinc/13/91/91/821139191.db2.gz KHBYAAJQEIYFKB-DZGCQCFKSA-N 1 2 299.330 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H](O)C1 ZINC001084018070 821185714 /nfs/dbraw/zinc/18/57/14/821185714.db2.gz XRJOEZQKLXRUAL-CABCVRRESA-N 1 2 272.348 0.657 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H](O)C1 ZINC001084018070 821185721 /nfs/dbraw/zinc/18/57/21/821185721.db2.gz XRJOEZQKLXRUAL-CABCVRRESA-N 1 2 272.348 0.657 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333349 821274177 /nfs/dbraw/zinc/27/41/77/821274177.db2.gz OOJCVHUWJJIYPG-GDBMZVCRSA-N 1 2 298.390 0.866 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333349 821274182 /nfs/dbraw/zinc/27/41/82/821274182.db2.gz OOJCVHUWJJIYPG-GDBMZVCRSA-N 1 2 298.390 0.866 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001084299506 821276353 /nfs/dbraw/zinc/27/63/53/821276353.db2.gz ZDJARFLGIRKGCE-CHWSQXEVSA-N 1 2 285.347 0.957 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001084299506 821276362 /nfs/dbraw/zinc/27/63/62/821276362.db2.gz ZDJARFLGIRKGCE-CHWSQXEVSA-N 1 2 285.347 0.957 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001084670895 821347086 /nfs/dbraw/zinc/34/70/86/821347086.db2.gz PCDDNGQCEKZCTN-TZMCWYRMSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001084670895 821347092 /nfs/dbraw/zinc/34/70/92/821347092.db2.gz PCDDNGQCEKZCTN-TZMCWYRMSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230556105 821433261 /nfs/dbraw/zinc/43/32/61/821433261.db2.gz CXPKOAAMSUTXAT-WCQYABFASA-N 1 2 277.368 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230556105 821433266 /nfs/dbraw/zinc/43/32/66/821433266.db2.gz CXPKOAAMSUTXAT-WCQYABFASA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001230957266 821468754 /nfs/dbraw/zinc/46/87/54/821468754.db2.gz FBLUUSLBZLXTPO-QWHCGFSZSA-N 1 2 252.358 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001230957266 821468757 /nfs/dbraw/zinc/46/87/57/821468757.db2.gz FBLUUSLBZLXTPO-QWHCGFSZSA-N 1 2 252.358 0.967 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196125 821565221 /nfs/dbraw/zinc/56/52/21/821565221.db2.gz SSAILMKSSFWAQS-AWEZNQCLSA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196125 821565226 /nfs/dbraw/zinc/56/52/26/821565226.db2.gz SSAILMKSSFWAQS-AWEZNQCLSA-N 1 2 296.346 0.946 20 30 CCEDLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C#CC(C)C)C2)CC1 ZINC001065701006 821580465 /nfs/dbraw/zinc/58/04/65/821580465.db2.gz VXUBXOGPURZEMC-HNNXBMFYSA-N 1 2 291.395 0.411 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345868 821664838 /nfs/dbraw/zinc/66/48/38/821664838.db2.gz UTIGDLSAMBYOTB-VXGBXAGGSA-N 1 2 261.329 0.493 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438530 821691583 /nfs/dbraw/zinc/69/15/83/821691583.db2.gz SALMXAUFVSZPEB-VXGBXAGGSA-N 1 2 261.329 0.424 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001085581101 821833501 /nfs/dbraw/zinc/83/35/01/821833501.db2.gz CDLZYLWOWILIIT-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001085581101 821833507 /nfs/dbraw/zinc/83/35/07/821833507.db2.gz CDLZYLWOWILIIT-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ncccc12 ZINC001085644820 821870408 /nfs/dbraw/zinc/87/04/08/821870408.db2.gz YQXSDXCIYDMOTD-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2ncccc12 ZINC001085644820 821870414 /nfs/dbraw/zinc/87/04/14/821870414.db2.gz YQXSDXCIYDMOTD-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085738511 821925905 /nfs/dbraw/zinc/92/59/05/821925905.db2.gz OAPGQINQFXNMDY-LJISPDSOSA-N 1 2 292.379 0.204 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085738511 821925909 /nfs/dbraw/zinc/92/59/09/821925909.db2.gz OAPGQINQFXNMDY-LJISPDSOSA-N 1 2 292.379 0.204 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001085787192 821950989 /nfs/dbraw/zinc/95/09/89/821950989.db2.gz INWRYSFRDKQOJW-JTQLQIEISA-N 1 2 299.334 0.443 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001085787192 821950992 /nfs/dbraw/zinc/95/09/92/821950992.db2.gz INWRYSFRDKQOJW-JTQLQIEISA-N 1 2 299.334 0.443 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085977082 822045928 /nfs/dbraw/zinc/04/59/28/822045928.db2.gz NDXMPDZTCZULFN-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085977082 822045938 /nfs/dbraw/zinc/04/59/38/822045938.db2.gz NDXMPDZTCZULFN-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114004295 837401182 /nfs/dbraw/zinc/40/11/82/837401182.db2.gz HSCFFJGFHUBAHF-JYAVWHMHSA-N 1 2 274.368 0.933 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114004295 837401190 /nfs/dbraw/zinc/40/11/90/837401190.db2.gz HSCFFJGFHUBAHF-JYAVWHMHSA-N 1 2 274.368 0.933 20 30 CCEDLO C#Cc1cc(NC([O-])=c2cc[nH+]c3c2=CC=N3)cc[nH+]1 ZINC001183582484 844046115 /nfs/dbraw/zinc/04/61/15/844046115.db2.gz RHIDZASAQMOICQ-ZDUSSCGKSA-N 1 2 262.272 0.976 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)cc(C#N)n2)C[NH2+]1 ZINC001169130139 836145795 /nfs/dbraw/zinc/14/57/95/836145795.db2.gz SUMZGCMDOAMPJT-SFYZADRCSA-N 1 2 281.703 0.317 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(Cl)c(C(N)=O)n1 ZINC001156321056 836283551 /nfs/dbraw/zinc/28/35/51/836283551.db2.gz NRCVYMBVTHCIRV-ZETCQYMHSA-N 1 2 265.704 0.136 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485554 836284464 /nfs/dbraw/zinc/28/44/64/836284464.db2.gz BSWPWVNUAPHYSG-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)COCCC)CC2=O)C1 ZINC001108522730 836415389 /nfs/dbraw/zinc/41/53/89/836415389.db2.gz WVMPRWSMTZTJJZ-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC(=C)C)CC2=O)C1 ZINC001108548635 836437131 /nfs/dbraw/zinc/43/71/31/836437131.db2.gz SDZDLGITFNFFRT-ZDUSSCGKSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CC[C@H](Nc1ncnc2c1C[N@H+](C)CC2)C(=O)OC ZINC001169836466 836456584 /nfs/dbraw/zinc/45/65/84/836456584.db2.gz LISLWMAYTFLJQN-LBPRGKRZSA-N 1 2 276.340 0.994 20 30 CCEDLO C=CC[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(=O)OC ZINC001169836466 836456589 /nfs/dbraw/zinc/45/65/89/836456589.db2.gz LISLWMAYTFLJQN-LBPRGKRZSA-N 1 2 276.340 0.994 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001108624417 836499147 /nfs/dbraw/zinc/49/91/47/836499147.db2.gz ODLSLLILOYGPNM-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255610 836647557 /nfs/dbraw/zinc/64/75/57/836647557.db2.gz UVZXTRDRRZSTSM-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001109683729 836714537 /nfs/dbraw/zinc/71/45/37/836714537.db2.gz ZJBVKMVTRMSIFY-AGIUHOORSA-N 1 2 291.395 0.940 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001109683729 836714550 /nfs/dbraw/zinc/71/45/50/836714550.db2.gz ZJBVKMVTRMSIFY-AGIUHOORSA-N 1 2 291.395 0.940 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1CNCC#N ZINC001184274970 844201592 /nfs/dbraw/zinc/20/15/92/844201592.db2.gz UURHVPCOODAARZ-QWHCGFSZSA-N 1 2 289.383 0.940 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H](C)OC)CC1 ZINC001112786120 836912293 /nfs/dbraw/zinc/91/22/93/836912293.db2.gz ZDOQJXDROKTQSI-CYBMUJFWSA-N 1 2 252.358 0.969 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC001113171380 837045477 /nfs/dbraw/zinc/04/54/77/837045477.db2.gz LPZAIOVDQNQETM-UHFFFAOYSA-N 1 2 265.313 0.635 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113246139 837065439 /nfs/dbraw/zinc/06/54/39/837065439.db2.gz HZKJPEXXCXFYOW-AWEZNQCLSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)NC(=O)NCC)CC1 ZINC001113401892 837108098 /nfs/dbraw/zinc/10/80/98/837108098.db2.gz VRCHVUSKFQGHDA-UHFFFAOYSA-N 1 2 282.388 0.414 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 ZINC001113465145 837121637 /nfs/dbraw/zinc/12/16/37/837121637.db2.gz GMVDGGMWDHQXJI-UHFFFAOYSA-N 1 2 293.289 0.385 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001113471549 837125670 /nfs/dbraw/zinc/12/56/70/837125670.db2.gz ARIHHUXRWZYVEX-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C#CC2CC2)no1 ZINC001157682499 837235026 /nfs/dbraw/zinc/23/50/26/837235026.db2.gz JECVAKXHIFHUFZ-SNVBAGLBSA-N 1 2 276.340 0.948 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131808765 838232163 /nfs/dbraw/zinc/23/21/63/838232163.db2.gz NWJWEFWDESCHOH-NWDGAFQWSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131808765 838232176 /nfs/dbraw/zinc/23/21/76/838232176.db2.gz NWJWEFWDESCHOH-NWDGAFQWSA-N 1 2 297.424 0.068 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001131867884 838255701 /nfs/dbraw/zinc/25/57/01/838255701.db2.gz YNJHAEXAXYHDFO-AWEZNQCLSA-N 1 2 296.371 0.813 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CN1CC#N ZINC001132024913 838292710 /nfs/dbraw/zinc/29/27/10/838292710.db2.gz KBLSNMXXGSFLLM-NWDGAFQWSA-N 1 2 275.356 0.835 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)CC[C@H]1C ZINC001132141974 838328880 /nfs/dbraw/zinc/32/88/80/838328880.db2.gz WIAXZWGGMVBICX-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)CC[C@H]1C ZINC001132141974 838328882 /nfs/dbraw/zinc/32/88/82/838328882.db2.gz WIAXZWGGMVBICX-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001132591108 838445584 /nfs/dbraw/zinc/44/55/84/838445584.db2.gz HCOZSLZPVBHXEO-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001133381145 838614605 /nfs/dbraw/zinc/61/46/05/838614605.db2.gz XHHZPANVQOIPNR-GFCCVEGCSA-N 1 2 252.318 0.878 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nnc(C)o2)c1 ZINC001133593149 838677107 /nfs/dbraw/zinc/67/71/07/838677107.db2.gz QHMSYUVBFRJWQK-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001134410176 838971347 /nfs/dbraw/zinc/97/13/47/838971347.db2.gz HBFIOAXRXPXUII-UHFFFAOYSA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001135131325 839166430 /nfs/dbraw/zinc/16/64/30/839166430.db2.gz GFENAEIYISDBRO-NWDGAFQWSA-N 1 2 263.345 0.670 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135521141 839273948 /nfs/dbraw/zinc/27/39/48/839273948.db2.gz UJAYWVBPCAMCFU-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135521141 839273957 /nfs/dbraw/zinc/27/39/57/839273957.db2.gz UJAYWVBPCAMCFU-UHFFFAOYSA-N 1 2 288.286 0.335 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)NCC#N ZINC001136030806 839501043 /nfs/dbraw/zinc/50/10/43/839501043.db2.gz CDHNTKXJKWGQDZ-UWVGGRQHSA-N 1 2 263.345 0.657 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185855231 844469048 /nfs/dbraw/zinc/46/90/48/844469048.db2.gz FHWUFPDTKFQWLX-AWEZNQCLSA-N 1 2 289.383 0.965 20 30 CCEDLO COC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nnn(C)c21 ZINC001144074696 839928096 /nfs/dbraw/zinc/92/80/96/839928096.db2.gz AOTHPXBSRXMLPJ-ZDUSSCGKSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nnn(C)c21 ZINC001144074696 839928103 /nfs/dbraw/zinc/92/81/03/839928103.db2.gz AOTHPXBSRXMLPJ-ZDUSSCGKSA-N 1 2 298.350 0.828 20 30 CCEDLO C#CC[NH2+]C1CC(CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001091040116 839998559 /nfs/dbraw/zinc/99/85/59/839998559.db2.gz UUAVLGOVPSUWOT-UHFFFAOYSA-N 1 2 283.335 0.689 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(O)cc2)CC1 ZINC001144602794 840096762 /nfs/dbraw/zinc/09/67/62/840096762.db2.gz UGGQFQXRZIXAMG-CQSZACIVSA-N 1 2 276.336 0.756 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCCOC)C2)OCC1=O ZINC001273526039 844589601 /nfs/dbraw/zinc/58/96/01/844589601.db2.gz SFCNYHIIOGTWEO-UHFFFAOYSA-N 1 2 268.357 0.512 20 30 CCEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001093233836 841183234 /nfs/dbraw/zinc/18/32/34/841183234.db2.gz DICXFFIVXJXTTG-MVVXRAEJSA-N 1 2 271.324 0.496 20 30 CCEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001093519292 841304798 /nfs/dbraw/zinc/30/47/98/841304798.db2.gz KAKHAQHJEIRLLB-UHFFFAOYSA-N 1 2 295.383 0.130 20 30 CCEDLO Cc1nsc(NCCNC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001093829476 841471693 /nfs/dbraw/zinc/47/16/93/841471693.db2.gz MHIKCWYAFJXCSR-UHFFFAOYSA-N 1 2 290.352 0.817 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001093829780 841471903 /nfs/dbraw/zinc/47/19/03/841471903.db2.gz ZUKJHLAOIFMPOQ-UHFFFAOYSA-N 1 2 288.286 0.586 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)CCn1cc[nH+]c1 ZINC001094024617 841512873 /nfs/dbraw/zinc/51/28/73/841512873.db2.gz NOBNGJCZDJTQHA-UHFFFAOYSA-N 1 2 284.323 0.190 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001094024699 841513419 /nfs/dbraw/zinc/51/34/19/841513419.db2.gz SKVYBSYGGJRNGR-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCCNC(=O)[C@H](C)C#N)[nH+]1 ZINC001094341758 841611174 /nfs/dbraw/zinc/61/11/74/841611174.db2.gz CWQLEHZJVAIHIV-SECBINFHSA-N 1 2 291.359 0.324 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1nccnc1C#N ZINC001094504065 841643284 /nfs/dbraw/zinc/64/32/84/841643284.db2.gz FSYBOPOGAUXNCU-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001094550472 841672239 /nfs/dbraw/zinc/67/22/39/841672239.db2.gz HVLOKJAWDRYUNX-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)CCn1cc[nH+]c1 ZINC001094688814 841702083 /nfs/dbraw/zinc/70/20/83/841702083.db2.gz CYIKNQLYTLFDPA-UHFFFAOYSA-N 1 2 298.350 0.580 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001172797576 841980385 /nfs/dbraw/zinc/98/03/85/841980385.db2.gz RXGIHFSSPHDHMW-UPJWGTAASA-N 1 2 265.357 0.906 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150159919 842017529 /nfs/dbraw/zinc/01/75/29/842017529.db2.gz SIHYHYMWHVFOEV-QWHCGFSZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150159919 842017543 /nfs/dbraw/zinc/01/75/43/842017543.db2.gz SIHYHYMWHVFOEV-QWHCGFSZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001176874833 842435234 /nfs/dbraw/zinc/43/52/34/842435234.db2.gz ATYDUHNQJWKCTO-ZIAGYGMSSA-N 1 2 298.383 0.137 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001176874833 842435239 /nfs/dbraw/zinc/43/52/39/842435239.db2.gz ATYDUHNQJWKCTO-ZIAGYGMSSA-N 1 2 298.383 0.137 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001176874831 842436225 /nfs/dbraw/zinc/43/62/25/842436225.db2.gz ATYDUHNQJWKCTO-UONOGXRCSA-N 1 2 298.383 0.137 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001176874831 842436231 /nfs/dbraw/zinc/43/62/31/842436231.db2.gz ATYDUHNQJWKCTO-UONOGXRCSA-N 1 2 298.383 0.137 20 30 CCEDLO C=C[C@H]1C[C@]1(NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001176883858 842440122 /nfs/dbraw/zinc/44/01/22/842440122.db2.gz MUKYRULNOCAWCB-SMDDNHRTSA-N 1 2 277.324 0.897 20 30 CCEDLO C[C@H](C(=O)N=C(NC#N)c1ccncc1)n1cc[nH+]c1 ZINC001177926425 842712560 /nfs/dbraw/zinc/71/25/60/842712560.db2.gz CYIMTPDQZJSEFK-SNVBAGLBSA-N 1 2 268.280 0.883 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177997976 842720614 /nfs/dbraw/zinc/72/06/14/842720614.db2.gz IUEUQHCXSUOPJN-UHFFFAOYSA-N 1 2 288.267 0.664 20 30 CCEDLO N#Cc1nc[nH]c1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101348 842757434 /nfs/dbraw/zinc/75/74/34/842757434.db2.gz WHZRZWIUNOVZLD-QMMMGPOBSA-N 1 2 256.269 0.679 20 30 CCEDLO CC(C)C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)NO ZINC001178122522 842777951 /nfs/dbraw/zinc/77/79/51/842777951.db2.gz VXYYPSLCTJRKDK-QWRGUYRKSA-N 1 2 294.355 0.482 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCO)nc1 ZINC001179258344 842980879 /nfs/dbraw/zinc/98/08/79/842980879.db2.gz IKUDUAIPJZENFU-ZDUSSCGKSA-N 1 2 289.335 0.489 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCO)nc1 ZINC001179258344 842980883 /nfs/dbraw/zinc/98/08/83/842980883.db2.gz IKUDUAIPJZENFU-ZDUSSCGKSA-N 1 2 289.335 0.489 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccccc2)C1 ZINC001180756167 843275636 /nfs/dbraw/zinc/27/56/36/843275636.db2.gz WITHQZGJTPHTCA-CHWSQXEVSA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccccc2)C1 ZINC001180756167 843275645 /nfs/dbraw/zinc/27/56/45/843275645.db2.gz WITHQZGJTPHTCA-CHWSQXEVSA-N 1 2 259.309 0.698 20 30 CCEDLO N#Cc1ccc(CNC(=O)Cc2cc[nH+]c(N)c2)cn1 ZINC001181277217 843439687 /nfs/dbraw/zinc/43/96/87/843439687.db2.gz SCVTWRSUGLYNQQ-UHFFFAOYSA-N 1 2 267.292 0.789 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001181618775 843555788 /nfs/dbraw/zinc/55/57/88/843555788.db2.gz ZDZGBXZVXWSFGC-LLVKDONJSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110288663 843801940 /nfs/dbraw/zinc/80/19/40/843801940.db2.gz WPTIFGWZUXSWDI-UPJWGTAASA-N 1 2 279.384 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110288663 843801946 /nfs/dbraw/zinc/80/19/46/843801946.db2.gz WPTIFGWZUXSWDI-UPJWGTAASA-N 1 2 279.384 0.666 20 30 CCEDLO COCC#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718676 843894474 /nfs/dbraw/zinc/89/44/74/843894474.db2.gz JNOIZXXSBBZPTA-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001182718676 843894478 /nfs/dbraw/zinc/89/44/78/843894478.db2.gz JNOIZXXSBBZPTA-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206537303 843905451 /nfs/dbraw/zinc/90/54/51/843905451.db2.gz QFLAHMASZPYSFW-DGCLKSJQSA-N 1 2 277.372 0.718 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206537303 843905454 /nfs/dbraw/zinc/90/54/54/843905454.db2.gz QFLAHMASZPYSFW-DGCLKSJQSA-N 1 2 277.372 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC001186999890 844638902 /nfs/dbraw/zinc/63/89/02/844638902.db2.gz ROYASAZVZLHYIN-UHFFFAOYSA-N 1 2 298.350 0.811 20 30 CCEDLO COc1ccc(C#N)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001189097356 845050136 /nfs/dbraw/zinc/05/01/36/845050136.db2.gz WEXFLMFXKJDHLI-CYBMUJFWSA-N 1 2 289.335 0.627 20 30 CCEDLO COc1ccc(C#N)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001189097356 845050140 /nfs/dbraw/zinc/05/01/40/845050140.db2.gz WEXFLMFXKJDHLI-CYBMUJFWSA-N 1 2 289.335 0.627 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110413867 845191992 /nfs/dbraw/zinc/19/19/92/845191992.db2.gz GQJXLSMPMMMFSR-BBBLOLIVSA-N 1 2 271.748 0.336 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110413867 845191999 /nfs/dbraw/zinc/19/19/99/845191999.db2.gz GQJXLSMPMMMFSR-BBBLOLIVSA-N 1 2 271.748 0.336 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191194120 845605348 /nfs/dbraw/zinc/60/53/48/845605348.db2.gz GGXOYIXROWFEIR-ZIAGYGMSSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191194120 845605350 /nfs/dbraw/zinc/60/53/50/845605350.db2.gz GGXOYIXROWFEIR-ZIAGYGMSSA-N 1 2 282.384 0.234 20 30 CCEDLO CCN(CCNCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001273628406 845756516 /nfs/dbraw/zinc/75/65/16/845756516.db2.gz GDHDWDZWSJMZIH-GFCCVEGCSA-N 1 2 263.345 0.796 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192639812 845890123 /nfs/dbraw/zinc/89/01/23/845890123.db2.gz JDNZUVUVROODPM-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192639812 845890132 /nfs/dbraw/zinc/89/01/32/845890132.db2.gz JDNZUVUVROODPM-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001192822349 845915659 /nfs/dbraw/zinc/91/56/59/845915659.db2.gz ZLEISIYKXLULHU-GHMZBOCLSA-N 1 2 290.285 0.514 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001192822349 845915663 /nfs/dbraw/zinc/91/56/63/845915663.db2.gz ZLEISIYKXLULHU-GHMZBOCLSA-N 1 2 290.285 0.514 20 30 CCEDLO N#CCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001193000817 845951861 /nfs/dbraw/zinc/95/18/61/845951861.db2.gz GGZBWDWONZSMFH-SNVBAGLBSA-N 1 2 266.326 0.103 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CNC(=O)CC)O2 ZINC001273656294 846045310 /nfs/dbraw/zinc/04/53/10/846045310.db2.gz YKBRSZBOKYBZLR-LBPRGKRZSA-N 1 2 295.383 0.048 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C#C)cc1)C2 ZINC001273672109 846224705 /nfs/dbraw/zinc/22/47/05/846224705.db2.gz YMJMWVZBNWNSLE-UHFFFAOYSA-N 1 2 294.354 0.714 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC001194628854 846334492 /nfs/dbraw/zinc/33/44/92/846334492.db2.gz CGVRNTAIFJSTDV-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC001194628854 846334497 /nfs/dbraw/zinc/33/44/97/846334497.db2.gz CGVRNTAIFJSTDV-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)COC(C)C)CO2 ZINC001273684348 846388226 /nfs/dbraw/zinc/38/82/26/846388226.db2.gz BGEVLUXHDZUXCA-ZDUSSCGKSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CNC(=O)CC)CC1 ZINC001195274442 846488968 /nfs/dbraw/zinc/48/89/68/846488968.db2.gz HDDUYRTYRADOFR-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CNC(=O)CC)CC1 ZINC001195274442 846488970 /nfs/dbraw/zinc/48/89/70/846488970.db2.gz HDDUYRTYRADOFR-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001195287657 846496763 /nfs/dbraw/zinc/49/67/63/846496763.db2.gz QVAGTVZOEYWMMS-ZIAGYGMSSA-N 1 2 289.379 0.955 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001195287657 846496764 /nfs/dbraw/zinc/49/67/64/846496764.db2.gz QVAGTVZOEYWMMS-ZIAGYGMSSA-N 1 2 289.379 0.955 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001195429486 846538994 /nfs/dbraw/zinc/53/89/94/846538994.db2.gz MTZRLHJPPRVGCE-AWEZNQCLSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001195429486 846539000 /nfs/dbraw/zinc/53/90/00/846539000.db2.gz MTZRLHJPPRVGCE-AWEZNQCLSA-N 1 2 273.336 0.927 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cn(C)cn2)CC1 ZINC001195480547 846549144 /nfs/dbraw/zinc/54/91/44/846549144.db2.gz IGAVUEWJTRQUIO-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cn(C)cn2)CC1 ZINC001195480547 846549149 /nfs/dbraw/zinc/54/91/49/846549149.db2.gz IGAVUEWJTRQUIO-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195645593 846592097 /nfs/dbraw/zinc/59/20/97/846592097.db2.gz WRQWSPDTXJTMKC-LBPRGKRZSA-N 1 2 265.357 0.198 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195645593 846592102 /nfs/dbraw/zinc/59/21/02/846592102.db2.gz WRQWSPDTXJTMKC-LBPRGKRZSA-N 1 2 265.357 0.198 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195753833 846608902 /nfs/dbraw/zinc/60/89/02/846608902.db2.gz CFHMUBPQSZTRJI-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195753833 846608905 /nfs/dbraw/zinc/60/89/05/846608905.db2.gz CFHMUBPQSZTRJI-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C=C(C)C[N@@H+]1CCCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001196310671 846720632 /nfs/dbraw/zinc/72/06/32/846720632.db2.gz YUZCCPPDVLUDFY-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C=C(C)C[N@H+]1CCCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001196310671 846720638 /nfs/dbraw/zinc/72/06/38/846720638.db2.gz YUZCCPPDVLUDFY-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001197492999 846919214 /nfs/dbraw/zinc/91/92/14/846919214.db2.gz CKCRSMGIEWDMNK-NXEZZACHSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001197492999 846919222 /nfs/dbraw/zinc/91/92/22/846919222.db2.gz CKCRSMGIEWDMNK-NXEZZACHSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001251832152 847177329 /nfs/dbraw/zinc/17/73/29/847177329.db2.gz DLRXZFLGFYVADR-VHSXEESVSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001251832152 847177336 /nfs/dbraw/zinc/17/73/36/847177336.db2.gz DLRXZFLGFYVADR-VHSXEESVSA-N 1 2 251.248 0.676 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001199331635 847306032 /nfs/dbraw/zinc/30/60/32/847306032.db2.gz RGGDNQCAUNJJLG-PWUVMTTMSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001199331635 847306040 /nfs/dbraw/zinc/30/60/40/847306040.db2.gz RGGDNQCAUNJJLG-PWUVMTTMSA-N 1 2 288.775 0.491 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539334 847384800 /nfs/dbraw/zinc/38/48/00/847384800.db2.gz ONOXGSOFNHDAQW-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539334 847384811 /nfs/dbraw/zinc/38/48/11/847384811.db2.gz ONOXGSOFNHDAQW-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO C=CCN1CC2(C[NH+](CC(C)(C)OC)C2)OCC1=O ZINC001273809345 847557441 /nfs/dbraw/zinc/55/74/41/847557441.db2.gz PNSJMZRBEPFMFX-UHFFFAOYSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001153161119 847939679 /nfs/dbraw/zinc/93/96/79/847939679.db2.gz XAGWWMFAMMHKLW-QWRGUYRKSA-N 1 2 296.371 0.990 20 30 CCEDLO N#CCCN1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274031864 848311083 /nfs/dbraw/zinc/31/10/83/848311083.db2.gz BBRVJPKDLBVPAT-HNNXBMFYSA-N 1 2 287.367 0.864 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130169 848357277 /nfs/dbraw/zinc/35/72/77/848357277.db2.gz OSGVTGJZXYORLY-CQSZACIVSA-N 1 2 273.340 0.015 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130169 848357285 /nfs/dbraw/zinc/35/72/85/848357285.db2.gz OSGVTGJZXYORLY-CQSZACIVSA-N 1 2 273.340 0.015 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354635 848456867 /nfs/dbraw/zinc/45/68/67/848456867.db2.gz PTXHCRWOLUQYNO-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354635 848456871 /nfs/dbraw/zinc/45/68/71/848456871.db2.gz PTXHCRWOLUQYNO-CYBMUJFWSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372520 848463983 /nfs/dbraw/zinc/46/39/83/848463983.db2.gz OFRPURITDTVXBW-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372520 848463988 /nfs/dbraw/zinc/46/39/88/848463988.db2.gz OFRPURITDTVXBW-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001274615358 848525048 /nfs/dbraw/zinc/52/50/48/848525048.db2.gz SSCKIPKBVINAKW-GXTWGEPZSA-N 1 2 282.384 0.635 20 30 CCEDLO N#Cc1cncc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001275027139 848616280 /nfs/dbraw/zinc/61/62/80/848616280.db2.gz GBVKXKNSQNTBSD-UHFFFAOYSA-N 1 2 294.362 0.994 20 30 CCEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)nc1 ZINC001275032199 848617558 /nfs/dbraw/zinc/61/75/58/848617558.db2.gz KAYKZYRKHALWMK-UHFFFAOYSA-N 1 2 294.362 0.994 20 30 CCEDLO CC[NH+]1CC2(CCN2C(=O)C2(C#N)CCOCC2)C1 ZINC001275079629 848629247 /nfs/dbraw/zinc/62/92/47/848629247.db2.gz QHRAHXFKTBBMLL-UHFFFAOYSA-N 1 2 263.341 0.613 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419160 848905154 /nfs/dbraw/zinc/90/51/54/848905154.db2.gz RHXDCGWENBKMGT-VWYCJHECSA-N 1 2 296.762 0.147 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419160 848905159 /nfs/dbraw/zinc/90/51/59/848905159.db2.gz RHXDCGWENBKMGT-VWYCJHECSA-N 1 2 296.762 0.147 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001276088707 848921339 /nfs/dbraw/zinc/92/13/39/848921339.db2.gz RYDRXIVZNCUCAD-LBPRGKRZSA-N 1 2 262.353 0.363 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCCOC2)C1 ZINC001276101034 848927533 /nfs/dbraw/zinc/92/75/33/848927533.db2.gz MZDFOYHKVRVRLX-AWEZNQCLSA-N 1 2 294.395 0.379 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095473678 848934608 /nfs/dbraw/zinc/93/46/08/848934608.db2.gz LUIKUUDWTBPOTK-WOPDTQHZSA-N 1 2 295.774 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nccn1)C2 ZINC001095473678 848934615 /nfs/dbraw/zinc/93/46/15/848934615.db2.gz LUIKUUDWTBPOTK-WOPDTQHZSA-N 1 2 295.774 0.752 20 30 CCEDLO Cc1nc(N(C)CCCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001095507110 848966945 /nfs/dbraw/zinc/96/69/45/848966945.db2.gz HNKOQNQPONLISK-SNVBAGLBSA-N 1 2 261.329 0.887 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110900532 849018657 /nfs/dbraw/zinc/01/86/57/849018657.db2.gz FAWZXIMYPQQQGM-MCIONIFRSA-N 1 2 291.395 0.777 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110900532 849018660 /nfs/dbraw/zinc/01/86/60/849018660.db2.gz FAWZXIMYPQQQGM-MCIONIFRSA-N 1 2 291.395 0.777 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001111125613 849075739 /nfs/dbraw/zinc/07/57/39/849075739.db2.gz KLLXTMVANOVTKR-ASEORRQLSA-N 1 2 287.367 0.833 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001111125613 849075743 /nfs/dbraw/zinc/07/57/43/849075743.db2.gz KLLXTMVANOVTKR-ASEORRQLSA-N 1 2 287.367 0.833 20 30 CCEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000687261746 849097312 /nfs/dbraw/zinc/09/73/12/849097312.db2.gz KFLIUNPHQWZMEW-TXEJJXNPSA-N 1 2 292.364 0.420 20 30 CCEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000687261746 849097318 /nfs/dbraw/zinc/09/73/18/849097318.db2.gz KFLIUNPHQWZMEW-TXEJJXNPSA-N 1 2 292.364 0.420 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001037965646 849613525 /nfs/dbraw/zinc/61/35/25/849613525.db2.gz KMHGMDUDHHFYHG-OCCSQVGLSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038262901 849831179 /nfs/dbraw/zinc/83/11/79/849831179.db2.gz PGVVCSVVIXHFGF-CHWSQXEVSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038262901 849831189 /nfs/dbraw/zinc/83/11/89/849831189.db2.gz PGVVCSVVIXHFGF-CHWSQXEVSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001038434331 849896908 /nfs/dbraw/zinc/89/69/08/849896908.db2.gz WSVZVBZQZRYQMG-OLZOCXBDSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001038434331 849896914 /nfs/dbraw/zinc/89/69/14/849896914.db2.gz WSVZVBZQZRYQMG-OLZOCXBDSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439890 849898859 /nfs/dbraw/zinc/89/88/59/849898859.db2.gz UQFMJCUNKIJMBG-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439890 849898865 /nfs/dbraw/zinc/89/88/65/849898865.db2.gz UQFMJCUNKIJMBG-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CCN1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442937 849903487 /nfs/dbraw/zinc/90/34/87/849903487.db2.gz SJCKBXWXSIGGDL-GFCCVEGCSA-N 1 2 290.367 0.564 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038458869 849908174 /nfs/dbraw/zinc/90/81/74/849908174.db2.gz XZRXFYSWJKDRAH-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038458869 849908182 /nfs/dbraw/zinc/90/81/82/849908182.db2.gz XZRXFYSWJKDRAH-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001038479079 849918882 /nfs/dbraw/zinc/91/88/82/849918882.db2.gz YLNBBDRXXRPALI-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001038479079 849918884 /nfs/dbraw/zinc/91/88/84/849918884.db2.gz YLNBBDRXXRPALI-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038505588 849926103 /nfs/dbraw/zinc/92/61/03/849926103.db2.gz LOQPZARFHFTZKD-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038505588 849926106 /nfs/dbraw/zinc/92/61/06/849926106.db2.gz LOQPZARFHFTZKD-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001038513014 849927158 /nfs/dbraw/zinc/92/71/58/849927158.db2.gz FKJDWFYWCKHAFK-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001038513014 849927161 /nfs/dbraw/zinc/92/71/61/849927161.db2.gz FKJDWFYWCKHAFK-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038716529 849995309 /nfs/dbraw/zinc/99/53/09/849995309.db2.gz MYYAMYYWAIUVSD-BFHYXJOUSA-N 1 2 286.379 0.737 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038716529 849995311 /nfs/dbraw/zinc/99/53/11/849995311.db2.gz MYYAMYYWAIUVSD-BFHYXJOUSA-N 1 2 286.379 0.737 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001038820205 850025442 /nfs/dbraw/zinc/02/54/42/850025442.db2.gz FAEDHUVOBLFCMY-SNVBAGLBSA-N 1 2 272.312 0.114 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001038820205 850025451 /nfs/dbraw/zinc/02/54/51/850025451.db2.gz FAEDHUVOBLFCMY-SNVBAGLBSA-N 1 2 272.312 0.114 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038832237 850033802 /nfs/dbraw/zinc/03/38/02/850033802.db2.gz ZTTWOHGQMSJUAO-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038832237 850033811 /nfs/dbraw/zinc/03/38/11/850033811.db2.gz ZTTWOHGQMSJUAO-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001038909963 850077169 /nfs/dbraw/zinc/07/71/69/850077169.db2.gz STNXDACFFKLFJV-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001038909963 850077181 /nfs/dbraw/zinc/07/71/81/850077181.db2.gz STNXDACFFKLFJV-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)cn1 ZINC001038939614 850092797 /nfs/dbraw/zinc/09/27/97/850092797.db2.gz SLTMRJPTERZCGA-ZDUSSCGKSA-N 1 2 253.305 0.500 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)cn1 ZINC001038939614 850092791 /nfs/dbraw/zinc/09/27/91/850092791.db2.gz SLTMRJPTERZCGA-ZDUSSCGKSA-N 1 2 253.305 0.500 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039017492 850121641 /nfs/dbraw/zinc/12/16/41/850121641.db2.gz OWOHBRVFKIIOOA-CQSZACIVSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039017492 850121645 /nfs/dbraw/zinc/12/16/45/850121645.db2.gz OWOHBRVFKIIOOA-CQSZACIVSA-N 1 2 285.347 0.613 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039031558 850129422 /nfs/dbraw/zinc/12/94/22/850129422.db2.gz HUFXNPYZFCALKP-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039031558 850129427 /nfs/dbraw/zinc/12/94/27/850129427.db2.gz HUFXNPYZFCALKP-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001039040402 850133029 /nfs/dbraw/zinc/13/30/29/850133029.db2.gz SGGXBIGQIGTWSQ-GXTWGEPZSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001039040402 850133033 /nfs/dbraw/zinc/13/30/33/850133033.db2.gz SGGXBIGQIGTWSQ-GXTWGEPZSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001039088348 850152982 /nfs/dbraw/zinc/15/29/82/850152982.db2.gz BCOUQQUTQDBSTG-CHWSQXEVSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001039088348 850152985 /nfs/dbraw/zinc/15/29/85/850152985.db2.gz BCOUQQUTQDBSTG-CHWSQXEVSA-N 1 2 262.353 0.627 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001042285901 850610153 /nfs/dbraw/zinc/61/01/53/850610153.db2.gz SQHGWEJXNAKBAP-VXGBXAGGSA-N 1 2 273.340 0.399 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001042739084 850749670 /nfs/dbraw/zinc/74/96/70/850749670.db2.gz YMMVHPCINMHAAX-DGCLKSJQSA-N 1 2 277.368 0.067 20 30 CCEDLO C=CCOc1ccccc1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043116974 850816062 /nfs/dbraw/zinc/81/60/62/850816062.db2.gz ATQIGENXWGXATP-UHFFFAOYSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001043261629 850843776 /nfs/dbraw/zinc/84/37/76/850843776.db2.gz VVJVEFGVZWURPC-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001043369523 850861050 /nfs/dbraw/zinc/86/10/50/850861050.db2.gz CTSUAZJBPJQGQL-UHFFFAOYSA-N 1 2 261.325 0.658 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001043568706 850899493 /nfs/dbraw/zinc/89/94/93/850899493.db2.gz CMRRYEMLYUPXFB-LBPRGKRZSA-N 1 2 265.357 0.183 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2nccc2C)C1 ZINC001043988339 850979765 /nfs/dbraw/zinc/97/97/65/850979765.db2.gz PAEVCBXEZFXQMM-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001044061335 850995763 /nfs/dbraw/zinc/99/57/63/850995763.db2.gz DUOWDKVVFXJACR-UHFFFAOYSA-N 1 2 290.367 0.596 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001044095799 851008278 /nfs/dbraw/zinc/00/82/78/851008278.db2.gz NOVYDWUQQXWVPV-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001044194141 851036607 /nfs/dbraw/zinc/03/66/07/851036607.db2.gz DMZWODWAPOIIST-UHFFFAOYSA-N 1 2 289.383 0.875 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ccccc2=O)C1 ZINC001044279502 851059771 /nfs/dbraw/zinc/05/97/71/851059771.db2.gz HDDARWRYHIAMPD-UHFFFAOYSA-N 1 2 261.325 0.177 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC001046066152 851360382 /nfs/dbraw/zinc/36/03/82/851360382.db2.gz IUNUBWZHHWSDPN-KBPBESRZSA-N 1 2 288.395 0.529 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046587656 851555316 /nfs/dbraw/zinc/55/53/16/851555316.db2.gz LJFVHIDJIILSCX-BXKDBHETSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046587656 851555325 /nfs/dbraw/zinc/55/53/25/851555325.db2.gz LJFVHIDJIILSCX-BXKDBHETSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C)c2)C1 ZINC001047334249 851724309 /nfs/dbraw/zinc/72/43/09/851724309.db2.gz ARKRKFDZABDIRZ-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C)c2)C1 ZINC001047334249 851724313 /nfs/dbraw/zinc/72/43/13/851724313.db2.gz ARKRKFDZABDIRZ-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001047360010 851734613 /nfs/dbraw/zinc/73/46/13/851734613.db2.gz DSIUZIJDTQQBNT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001047360010 851734619 /nfs/dbraw/zinc/73/46/19/851734619.db2.gz DSIUZIJDTQQBNT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CC)n2)C1 ZINC001047409980 851753103 /nfs/dbraw/zinc/75/31/03/851753103.db2.gz XQUDFZWCTSMDHO-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CC)n2)C1 ZINC001047409980 851753109 /nfs/dbraw/zinc/75/31/09/851753109.db2.gz XQUDFZWCTSMDHO-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2CC)C1 ZINC001047622932 851838913 /nfs/dbraw/zinc/83/89/13/851838913.db2.gz BNWFJLFOFMIETC-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2CC)C1 ZINC001047622932 851838920 /nfs/dbraw/zinc/83/89/20/851838920.db2.gz BNWFJLFOFMIETC-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096260807 851873351 /nfs/dbraw/zinc/87/33/51/851873351.db2.gz NGOHWDSZAQGPJL-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096886282 852462827 /nfs/dbraw/zinc/46/28/27/852462827.db2.gz IEKYLMWWOWICIQ-YIYPIFLZSA-N 1 2 263.385 0.988 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096886282 852462832 /nfs/dbraw/zinc/46/28/32/852462832.db2.gz IEKYLMWWOWICIQ-YIYPIFLZSA-N 1 2 263.385 0.988 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001097257074 852517758 /nfs/dbraw/zinc/51/77/58/852517758.db2.gz UOCAXPNWFZPQNZ-SKENRDBWSA-N 1 2 285.351 0.758 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001097257074 852517764 /nfs/dbraw/zinc/51/77/64/852517764.db2.gz UOCAXPNWFZPQNZ-SKENRDBWSA-N 1 2 285.351 0.758 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097719440 852589069 /nfs/dbraw/zinc/58/90/69/852589069.db2.gz MWELOTMDWVHCLM-JTQLQIEISA-N 1 2 264.329 0.904 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C)n1)CCO2 ZINC001053184772 852705762 /nfs/dbraw/zinc/70/57/62/852705762.db2.gz CHOONDGFYJANAW-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnon1)CCO2 ZINC001053479049 852746845 /nfs/dbraw/zinc/74/68/45/852746845.db2.gz QQACROOCGXDNDW-UHFFFAOYSA-N 1 2 292.339 0.563 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ncc[nH]1)CCO2 ZINC001053487764 852750863 /nfs/dbraw/zinc/75/08/63/852750863.db2.gz JFYLCLROGBTMKJ-UHFFFAOYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn[nH]c1)O2 ZINC001053577658 852763955 /nfs/dbraw/zinc/76/39/55/852763955.db2.gz NQQKFNLDVQOBBH-CYBMUJFWSA-N 1 2 290.367 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)cn1)O2 ZINC001053593037 852769287 /nfs/dbraw/zinc/76/92/87/852769287.db2.gz ZKYOJJVZPYNHBV-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnon1)O2 ZINC001053684000 852775550 /nfs/dbraw/zinc/77/55/50/852775550.db2.gz JWBANCQEJOPBIV-LLVKDONJSA-N 1 2 292.339 0.609 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccco1)CO2 ZINC001053723115 852789085 /nfs/dbraw/zinc/78/90/85/852789085.db2.gz DUCAFMMDRPCFOR-LBPRGKRZSA-N 1 2 274.320 0.876 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1)CO2 ZINC001053721440 852789724 /nfs/dbraw/zinc/78/97/24/852789724.db2.gz VSYSPNMAUKTHME-CQSZACIVSA-N 1 2 285.347 0.678 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC1)CO2 ZINC001053810326 852827091 /nfs/dbraw/zinc/82/70/91/852827091.db2.gz QFYPCZDDDKVBQE-GFCCVEGCSA-N 1 2 262.353 0.769 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(F)CCOC1)CO2 ZINC001053906403 852844036 /nfs/dbraw/zinc/84/40/36/852844036.db2.gz ZBRXUXDLPVVQDE-SWLSCSKDSA-N 1 2 298.358 0.651 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053919974 852847340 /nfs/dbraw/zinc/84/73/40/852847340.db2.gz XGUQDJSEECBIKL-GFCCVEGCSA-N 1 2 280.368 0.295 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)cn1 ZINC001097955838 852999151 /nfs/dbraw/zinc/99/91/51/852999151.db2.gz VVLHWFNLFPYSJO-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001056657261 853181608 /nfs/dbraw/zinc/18/16/08/853181608.db2.gz MFXFFUPMOXFCGT-GFCCVEGCSA-N 1 2 297.322 0.258 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001050143159 853326409 /nfs/dbraw/zinc/32/64/09/853326409.db2.gz OLIGVOIHIAKWKG-GXTWGEPZSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001050143159 853326418 /nfs/dbraw/zinc/32/64/18/853326418.db2.gz OLIGVOIHIAKWKG-GXTWGEPZSA-N 1 2 287.367 0.293 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001050830996 853452069 /nfs/dbraw/zinc/45/20/69/853452069.db2.gz RCLDKRCUUSHXRG-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001050830996 853452074 /nfs/dbraw/zinc/45/20/74/853452074.db2.gz RCLDKRCUUSHXRG-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001050846851 853458877 /nfs/dbraw/zinc/45/88/77/853458877.db2.gz ZETZGFCCIFAWAV-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001050846851 853458879 /nfs/dbraw/zinc/45/88/79/853458879.db2.gz ZETZGFCCIFAWAV-KGLIPLIRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001050872527 853469322 /nfs/dbraw/zinc/46/93/22/853469322.db2.gz DRWSKOAVBHAWJY-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001050872527 853469328 /nfs/dbraw/zinc/46/93/28/853469328.db2.gz DRWSKOAVBHAWJY-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccncc3)C2)CC1 ZINC001051972936 853668055 /nfs/dbraw/zinc/66/80/55/853668055.db2.gz SBNRHXSVZGDHEQ-OAHLLOKOSA-N 1 2 299.378 0.437 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051971275 853668334 /nfs/dbraw/zinc/66/83/34/853668334.db2.gz GIMVZXMPIBULKU-CQSZACIVSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051971275 853668337 /nfs/dbraw/zinc/66/83/37/853668337.db2.gz GIMVZXMPIBULKU-CQSZACIVSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051988136 853670183 /nfs/dbraw/zinc/67/01/83/853670183.db2.gz USKOMJLXLCFGDG-HUUCEWRRSA-N 1 2 277.412 0.884 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](n2ccnn2)C1 ZINC001069904598 853996693 /nfs/dbraw/zinc/99/66/93/853996693.db2.gz IYPDDFIIRWRTSE-CABCVRRESA-N 1 2 299.378 0.609 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](n2ccnn2)C1 ZINC001069904598 853996699 /nfs/dbraw/zinc/99/66/99/853996699.db2.gz IYPDDFIIRWRTSE-CABCVRRESA-N 1 2 299.378 0.609 20 30 CCEDLO CC#CC[NH+]1CC2(C1)CN(C(C)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070436883 854058484 /nfs/dbraw/zinc/05/84/84/854058484.db2.gz FRINVQKOOGMAHF-CYBMUJFWSA-N 1 2 287.367 0.384 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NCC#N ZINC001070634426 854083990 /nfs/dbraw/zinc/08/39/90/854083990.db2.gz RZOWVSQRMLPMHK-UUSXEQNQSA-N 1 2 299.378 0.794 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC)CC1 ZINC001070931461 854102965 /nfs/dbraw/zinc/10/29/65/854102965.db2.gz XCMAAGUXHHYSDJ-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC)CC1 ZINC001070931461 854102969 /nfs/dbraw/zinc/10/29/69/854102969.db2.gz XCMAAGUXHHYSDJ-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1ccsc1C(=O)OC ZINC000393814268 854134066 /nfs/dbraw/zinc/13/40/66/854134066.db2.gz UCLXJJXSDNISMY-UHFFFAOYSA-N 1 2 268.338 0.927 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001071415734 854180938 /nfs/dbraw/zinc/18/09/38/854180938.db2.gz KOTTTXWVTKAPAW-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071497160 854221263 /nfs/dbraw/zinc/22/12/63/854221263.db2.gz CYCHKADUXZEUMG-JQWIXIFHSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071497160 854221273 /nfs/dbraw/zinc/22/12/73/854221273.db2.gz CYCHKADUXZEUMG-JQWIXIFHSA-N 1 2 275.356 0.258 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC#Cc1ccccc1 ZINC001071783466 854288724 /nfs/dbraw/zinc/28/87/24/854288724.db2.gz PEKDASYACXQZFM-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC#Cc1ccccc1 ZINC001071783466 854288730 /nfs/dbraw/zinc/28/87/30/854288730.db2.gz PEKDASYACXQZFM-ZFWWWQNUSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1CC#N ZINC001071847084 854307975 /nfs/dbraw/zinc/30/79/75/854307975.db2.gz HUWYRBWFHYNCDP-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 ZINC001072027398 854336625 /nfs/dbraw/zinc/33/66/25/854336625.db2.gz YJSDSZSVJBBVBP-ZYHUDNBSSA-N 1 2 275.356 0.753 20 30 CCEDLO C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073662754 854626475 /nfs/dbraw/zinc/62/64/75/854626475.db2.gz PPALHKZQMFCDEY-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073662754 854626478 /nfs/dbraw/zinc/62/64/78/854626478.db2.gz PPALHKZQMFCDEY-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001074285367 854708488 /nfs/dbraw/zinc/70/84/88/854708488.db2.gz ZKRYTIOSVAUMMY-CHWSQXEVSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001074285367 854708498 /nfs/dbraw/zinc/70/84/98/854708498.db2.gz ZKRYTIOSVAUMMY-CHWSQXEVSA-N 1 2 291.355 0.296 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001098344316 854859673 /nfs/dbraw/zinc/85/96/73/854859673.db2.gz JTSPKQAULRHQFW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1cncc(C#N)n1 ZINC001098344316 854859679 /nfs/dbraw/zinc/85/96/79/854859679.db2.gz JTSPKQAULRHQFW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3=CCCC3)C2)nn1 ZINC001098657642 854873544 /nfs/dbraw/zinc/87/35/44/854873544.db2.gz YSETZQMPVGZIRI-HNNXBMFYSA-N 1 2 299.378 0.885 20 30 CCEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001115766566 855694828 /nfs/dbraw/zinc/69/48/28/855694828.db2.gz LCJYCWGLFXESMH-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 ZINC001117008376 855892428 /nfs/dbraw/zinc/89/24/28/855892428.db2.gz KZLMEFHLNFJYDP-UHFFFAOYSA-N 1 2 299.374 0.318 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001117786010 856079348 /nfs/dbraw/zinc/07/93/48/856079348.db2.gz DEFSLMGENKTYJM-WDEREUQCSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC001118091316 856156995 /nfs/dbraw/zinc/15/69/95/856156995.db2.gz WDPFTHVSFWAWEH-LLVKDONJSA-N 1 2 255.343 0.620 20 30 CCEDLO N#CCCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118311768 856254107 /nfs/dbraw/zinc/25/41/07/856254107.db2.gz JVXCUNYDDSRCKO-NSHDSACASA-N 1 2 266.345 0.136 20 30 CCEDLO N#CCCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118311768 856254115 /nfs/dbraw/zinc/25/41/15/856254115.db2.gz JVXCUNYDDSRCKO-NSHDSACASA-N 1 2 266.345 0.136 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCNC2=O)CC1 ZINC001119266169 856604485 /nfs/dbraw/zinc/60/44/85/856604485.db2.gz YYKLEZDEKQQIIS-SNVBAGLBSA-N 1 2 252.314 0.316 20 30 CCEDLO CN(C)C(=O)N1CC[N@H+](C[C@H](O)CC#N)C(C)(C)C1 ZINC001119698775 856842744 /nfs/dbraw/zinc/84/27/44/856842744.db2.gz WKQZARZQUKQMSP-LLVKDONJSA-N 1 2 268.361 0.339 20 30 CCEDLO CN(C)C(=O)N1CC[N@@H+](C[C@H](O)CC#N)C(C)(C)C1 ZINC001119698775 856842747 /nfs/dbraw/zinc/84/27/47/856842747.db2.gz WKQZARZQUKQMSP-LLVKDONJSA-N 1 2 268.361 0.339 20 30 CCEDLO Cc1nonc1C[NH2+]C1(CNC(=O)C#CC2CC2)CC1 ZINC001323437526 912344144 /nfs/dbraw/zinc/34/41/44/912344144.db2.gz ILJSNMJDYPWRLI-UHFFFAOYSA-N 1 2 274.324 0.530 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001323773171 912515009 /nfs/dbraw/zinc/51/50/09/912515009.db2.gz YMLZJNRIZDGLJK-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001323773171 912515024 /nfs/dbraw/zinc/51/50/24/912515024.db2.gz YMLZJNRIZDGLJK-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C[C@H](c1nnnn1C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001393614953 912681436 /nfs/dbraw/zinc/68/14/36/912681436.db2.gz YOYXDJPVBMIHOC-WDEREUQCSA-N 1 2 293.375 0.211 20 30 CCEDLO C[C@H](c1nnnn1C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001393614953 912681448 /nfs/dbraw/zinc/68/14/48/912681448.db2.gz YOYXDJPVBMIHOC-WDEREUQCSA-N 1 2 293.375 0.211 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)COC)CC1 ZINC001393838088 912787566 /nfs/dbraw/zinc/78/75/66/912787566.db2.gz YIJARIDKZVHYLJ-UHFFFAOYSA-N 1 2 276.764 0.328 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394074316 912973817 /nfs/dbraw/zinc/97/38/17/912973817.db2.gz AYSDCXPFTNPIFO-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394074316 912973835 /nfs/dbraw/zinc/97/38/35/912973835.db2.gz AYSDCXPFTNPIFO-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001324915088 913097220 /nfs/dbraw/zinc/09/72/20/913097220.db2.gz PIYXAIFNKWRDPL-RYUDHWBXSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001394250648 913099293 /nfs/dbraw/zinc/09/92/93/913099293.db2.gz SCTJEMNGBLKCEK-SECBINFHSA-N 1 2 283.763 0.536 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H](C)SC)C1 ZINC001325201193 913275711 /nfs/dbraw/zinc/27/57/11/913275711.db2.gz NWMGXEQQCUPGJP-NSHDSACASA-N 1 2 272.414 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ccn(CC)n2)C1 ZINC001325214187 913285106 /nfs/dbraw/zinc/28/51/06/913285106.db2.gz PKCFMOQNTDWQPU-UHFFFAOYSA-N 1 2 292.383 0.185 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001480857029 891392298 /nfs/dbraw/zinc/39/22/98/891392298.db2.gz LMYWBCZQNWGQNV-JTQLQIEISA-N 1 2 271.752 0.640 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001480857029 891392303 /nfs/dbraw/zinc/39/23/03/891392303.db2.gz LMYWBCZQNWGQNV-JTQLQIEISA-N 1 2 271.752 0.640 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)[C@@H](C)C#N ZINC001395114088 913559665 /nfs/dbraw/zinc/55/96/65/913559665.db2.gz ZCYGHBWBSCLVKH-WDEREUQCSA-N 1 2 277.328 0.006 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCC2CC2)C1 ZINC001282699769 891476071 /nfs/dbraw/zinc/47/60/71/891476071.db2.gz AAYWIHQNIPLGAG-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001480906494 891735005 /nfs/dbraw/zinc/73/50/05/891735005.db2.gz ARZYIESLDSFOOU-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@H+](C)CC(=O)NCC#N)CC1 ZINC001480906494 891735023 /nfs/dbraw/zinc/73/50/23/891735023.db2.gz ARZYIESLDSFOOU-UHFFFAOYSA-N 1 2 292.383 0.421 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CCn2cccn2)C1 ZINC001481542918 892792536 /nfs/dbraw/zinc/79/25/36/892792536.db2.gz CAOXVBFLZTXUPS-UHFFFAOYSA-N 1 2 278.356 0.276 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC(C)(C)C)C1 ZINC001481611800 892901270 /nfs/dbraw/zinc/90/12/70/892901270.db2.gz HGKRCAOJJZKJHY-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC001343692292 892955825 /nfs/dbraw/zinc/95/58/25/892955825.db2.gz UVGRTSHBHCURJD-NSHDSACASA-N 1 2 267.329 0.205 20 30 CCEDLO N#CCN(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001493384541 892963383 /nfs/dbraw/zinc/96/33/83/892963383.db2.gz GRGXBFHPMALQEQ-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001481697581 893024303 /nfs/dbraw/zinc/02/43/03/893024303.db2.gz MMVRTMPORQTGAY-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001481697581 893024323 /nfs/dbraw/zinc/02/43/23/893024323.db2.gz MMVRTMPORQTGAY-GFCCVEGCSA-N 1 2 289.335 0.142 20 30 CCEDLO CCN(C(=O)C(C)(C)F)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481757522 893118897 /nfs/dbraw/zinc/11/88/97/893118897.db2.gz RJSITFRJXLMITC-LLVKDONJSA-N 1 2 298.362 0.297 20 30 CCEDLO CCN(C(=O)C(C)(C)F)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481757522 893118900 /nfs/dbraw/zinc/11/89/00/893118900.db2.gz RJSITFRJXLMITC-LLVKDONJSA-N 1 2 298.362 0.297 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1nc(C)no1 ZINC001481809802 893176575 /nfs/dbraw/zinc/17/65/75/893176575.db2.gz BDOMTNDAZAMCPC-CMPLNLGQSA-N 1 2 294.355 0.401 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)C#CC(C)C ZINC001284293933 893499238 /nfs/dbraw/zinc/49/92/38/893499238.db2.gz IYXDUDQITJAJDL-LLVKDONJSA-N 1 2 290.367 0.541 20 30 CCEDLO C[C@@H](CNCC#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482336273 893884590 /nfs/dbraw/zinc/88/45/90/893884590.db2.gz BKQBFYFFTPRYHE-RYUDHWBXSA-N 1 2 263.345 0.794 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1nccnc1C#N ZINC001396155524 913818605 /nfs/dbraw/zinc/81/86/05/913818605.db2.gz JBGBNDGMVKPUQB-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC12CCC2 ZINC001482631512 894433575 /nfs/dbraw/zinc/43/35/75/894433575.db2.gz YPXKUMDEGRCUET-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC12CCC2 ZINC001482631512 894433583 /nfs/dbraw/zinc/43/35/83/894433583.db2.gz YPXKUMDEGRCUET-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001483114535 894932579 /nfs/dbraw/zinc/93/25/79/894932579.db2.gz MIFCUWCBEVRSLE-NXEZZACHSA-N 1 2 282.344 0.736 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001483637065 895766801 /nfs/dbraw/zinc/76/68/01/895766801.db2.gz YQBQWCNLNWSNME-DUYRLRNSSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001483637065 895766820 /nfs/dbraw/zinc/76/68/20/895766820.db2.gz YQBQWCNLNWSNME-DUYRLRNSSA-N 1 2 291.395 0.671 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001483671953 895826437 /nfs/dbraw/zinc/82/64/37/895826437.db2.gz OKRWQFWOEOTRMO-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001483671953 895826443 /nfs/dbraw/zinc/82/64/43/895826443.db2.gz OKRWQFWOEOTRMO-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cnon2)CC1 ZINC001483817686 896059995 /nfs/dbraw/zinc/05/99/95/896059995.db2.gz WGOKCRBNXNYFRE-UHFFFAOYSA-N 1 2 289.339 0.910 20 30 CCEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cnon2)CC1 ZINC001483817686 896060003 /nfs/dbraw/zinc/06/00/03/896060003.db2.gz WGOKCRBNXNYFRE-UHFFFAOYSA-N 1 2 289.339 0.910 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001484434315 896405931 /nfs/dbraw/zinc/40/59/31/896405931.db2.gz HXRCMEWRJYUVIC-HNNXBMFYSA-N 1 2 284.375 0.949 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001484434315 896405940 /nfs/dbraw/zinc/40/59/40/896405940.db2.gz HXRCMEWRJYUVIC-HNNXBMFYSA-N 1 2 284.375 0.949 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CSCCC)CC2)C1 ZINC001484941679 896678510 /nfs/dbraw/zinc/67/85/10/896678510.db2.gz JPANGXRRPYRXMR-UHFFFAOYSA-N 1 2 295.452 0.591 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C2CC2)C1 ZINC001485401899 897035853 /nfs/dbraw/zinc/03/58/53/897035853.db2.gz VHRNFUAKIAJPNP-LBPRGKRZSA-N 1 2 264.369 0.609 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001485531404 897110350 /nfs/dbraw/zinc/11/03/50/897110350.db2.gz YNTQLUYEQOSVOA-JTQLQIEISA-N 1 2 298.778 0.252 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001485553797 897115766 /nfs/dbraw/zinc/11/57/66/897115766.db2.gz LXCWQYDQZNMYDE-DZGCQCFKSA-N 1 2 296.436 0.922 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001485553797 897115771 /nfs/dbraw/zinc/11/57/71/897115771.db2.gz LXCWQYDQZNMYDE-DZGCQCFKSA-N 1 2 296.436 0.922 20 30 CCEDLO C[C@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001107851274 897355348 /nfs/dbraw/zinc/35/53/48/897355348.db2.gz DFPYXZILCYEKIF-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 ZINC001032378071 897365033 /nfs/dbraw/zinc/36/50/33/897365033.db2.gz SULCMSLNKMUEOH-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 ZINC001032378071 897365047 /nfs/dbraw/zinc/36/50/47/897365047.db2.gz SULCMSLNKMUEOH-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397147 897441132 /nfs/dbraw/zinc/44/11/32/897441132.db2.gz MLPKHPUHVMLTSO-XBFCOCLRSA-N 1 2 289.379 0.162 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397147 897441140 /nfs/dbraw/zinc/44/11/40/897441140.db2.gz MLPKHPUHVMLTSO-XBFCOCLRSA-N 1 2 289.379 0.162 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908024 897488935 /nfs/dbraw/zinc/48/89/35/897488935.db2.gz FWFNFGKRSSVLQF-HIFRSBDPSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908024 897488943 /nfs/dbraw/zinc/48/89/43/897488943.db2.gz FWFNFGKRSSVLQF-HIFRSBDPSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1C ZINC001032422828 897543151 /nfs/dbraw/zinc/54/31/51/897543151.db2.gz NGLHIOMSPSSPCW-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1C ZINC001032422828 897543162 /nfs/dbraw/zinc/54/31/62/897543162.db2.gz NGLHIOMSPSSPCW-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]c(C)nc2c1 ZINC001032439881 897571214 /nfs/dbraw/zinc/57/12/14/897571214.db2.gz NOJQRMGFPPIYFO-STQMWFEESA-N 1 2 295.346 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]c(C)nc2c1 ZINC001032439881 897571230 /nfs/dbraw/zinc/57/12/30/897571230.db2.gz NOJQRMGFPPIYFO-STQMWFEESA-N 1 2 295.346 0.798 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(F)F)n1 ZINC001032462056 897596839 /nfs/dbraw/zinc/59/68/39/897596839.db2.gz FTUFCWMNBBYNDM-QWRGUYRKSA-N 1 2 294.305 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(F)F)n1 ZINC001032462056 897596851 /nfs/dbraw/zinc/59/68/51/897596851.db2.gz FTUFCWMNBBYNDM-QWRGUYRKSA-N 1 2 294.305 0.680 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)c1 ZINC001032481917 897630464 /nfs/dbraw/zinc/63/04/64/897630464.db2.gz FBWIYCLBCQHVPE-KBPBESRZSA-N 1 2 283.331 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)c1 ZINC001032481917 897630478 /nfs/dbraw/zinc/63/04/78/897630478.db2.gz FBWIYCLBCQHVPE-KBPBESRZSA-N 1 2 283.331 0.317 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1COC ZINC001032484610 897637806 /nfs/dbraw/zinc/63/78/06/897637806.db2.gz LJRKMYAILXIPNJ-RYUDHWBXSA-N 1 2 288.351 0.098 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1COC ZINC001032484610 897637811 /nfs/dbraw/zinc/63/78/11/897637811.db2.gz LJRKMYAILXIPNJ-RYUDHWBXSA-N 1 2 288.351 0.098 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CCOC)n1 ZINC001032512803 897678710 /nfs/dbraw/zinc/67/87/10/897678710.db2.gz CSXYMQISLPMNDH-STQMWFEESA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CCOC)n1 ZINC001032512803 897678722 /nfs/dbraw/zinc/67/87/22/897678722.db2.gz CSXYMQISLPMNDH-STQMWFEESA-N 1 2 288.351 0.061 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001032553933 897737701 /nfs/dbraw/zinc/73/77/01/897737701.db2.gz OGZDASWRXHAAEE-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001032553933 897737713 /nfs/dbraw/zinc/73/77/13/897737713.db2.gz OGZDASWRXHAAEE-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cnn1C ZINC001032574569 897765733 /nfs/dbraw/zinc/76/57/33/897765733.db2.gz NXQQGZCIAJIWMK-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cnn1C ZINC001032574569 897765735 /nfs/dbraw/zinc/76/57/35/897765735.db2.gz NXQQGZCIAJIWMK-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001032654950 897901928 /nfs/dbraw/zinc/90/19/28/897901928.db2.gz NGVKUKQNYWTNEM-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001032654950 897901941 /nfs/dbraw/zinc/90/19/41/897901941.db2.gz NGVKUKQNYWTNEM-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)n1 ZINC001032665592 897916434 /nfs/dbraw/zinc/91/64/34/897916434.db2.gz DNHCXPUABCOZKH-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)n1 ZINC001032665592 897916440 /nfs/dbraw/zinc/91/64/40/897916440.db2.gz DNHCXPUABCOZKH-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c[nH]c1=O ZINC001032707184 897945759 /nfs/dbraw/zinc/94/57/59/897945759.db2.gz ODUYGYNOQYNURI-STQMWFEESA-N 1 2 285.347 0.882 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c[nH]c1=O ZINC001032707184 897945769 /nfs/dbraw/zinc/94/57/69/897945769.db2.gz ODUYGYNOQYNURI-STQMWFEESA-N 1 2 285.347 0.882 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001077894786 898004668 /nfs/dbraw/zinc/00/46/68/898004668.db2.gz ATKATHSZPSVYCC-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001077894786 898004680 /nfs/dbraw/zinc/00/46/80/898004680.db2.gz ATKATHSZPSVYCC-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C[C@@H](CCNCC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272874217 898099336 /nfs/dbraw/zinc/09/93/36/898099336.db2.gz SHNUUKVYLZLNEB-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001077950648 898100341 /nfs/dbraw/zinc/10/03/41/898100341.db2.gz BOHUYGWWNKPFLD-GDBMZVCRSA-N 1 2 299.374 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001077950648 898100352 /nfs/dbraw/zinc/10/03/52/898100352.db2.gz BOHUYGWWNKPFLD-GDBMZVCRSA-N 1 2 299.374 0.087 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001077967151 898124446 /nfs/dbraw/zinc/12/44/46/898124446.db2.gz SSRJWDWARNJSRM-VXGBXAGGSA-N 1 2 292.383 0.802 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001077967151 898124451 /nfs/dbraw/zinc/12/44/51/898124451.db2.gz SSRJWDWARNJSRM-VXGBXAGGSA-N 1 2 292.383 0.802 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C1CC1 ZINC001032761789 898130376 /nfs/dbraw/zinc/13/03/76/898130376.db2.gz IEAZBYXPBOZRSR-STQMWFEESA-N 1 2 282.347 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C1CC1 ZINC001032761789 898130386 /nfs/dbraw/zinc/13/03/86/898130386.db2.gz IEAZBYXPBOZRSR-STQMWFEESA-N 1 2 282.347 0.886 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078034340 898192537 /nfs/dbraw/zinc/19/25/37/898192537.db2.gz YKHIAQRELGFFLB-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001078075615 898216959 /nfs/dbraw/zinc/21/69/59/898216959.db2.gz WSUPNKMCWBQNCY-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001078075615 898216978 /nfs/dbraw/zinc/21/69/78/898216978.db2.gz WSUPNKMCWBQNCY-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C=CCCC(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001486624658 898938811 /nfs/dbraw/zinc/93/88/11/898938811.db2.gz RIIHMPMBGZPQGX-UHFFFAOYSA-N 1 2 290.367 0.929 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486861689 899059627 /nfs/dbraw/zinc/05/96/27/899059627.db2.gz HVTCSJYTWRRZLS-GFCCVEGCSA-N 1 2 290.367 0.575 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C\Cl ZINC001410579949 899479457 /nfs/dbraw/zinc/47/94/57/899479457.db2.gz DVAWEVBTQNUJCU-DRDMBFKXSA-N 1 2 280.155 0.532 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001488670921 900340077 /nfs/dbraw/zinc/34/00/77/900340077.db2.gz NDDVRBYZNBZYBT-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCOCC1 ZINC001488670921 900340085 /nfs/dbraw/zinc/34/00/85/900340085.db2.gz NDDVRBYZNBZYBT-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110598666 900445623 /nfs/dbraw/zinc/44/56/23/900445623.db2.gz HCBXFDIVDKBKBI-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110598666 900445632 /nfs/dbraw/zinc/44/56/32/900445632.db2.gz HCBXFDIVDKBKBI-UTUOFQBUSA-N 1 2 279.384 0.796 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCN1CC#N ZINC001489269679 900462511 /nfs/dbraw/zinc/46/25/11/900462511.db2.gz HTSCPLAJMVDWAF-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCN1CC#N ZINC001489269679 900462522 /nfs/dbraw/zinc/46/25/22/900462522.db2.gz HTSCPLAJMVDWAF-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CC[NH+]1CCN(CCCNC(=O)c2cnco2)CC1 ZINC001490468686 900630548 /nfs/dbraw/zinc/63/05/48/900630548.db2.gz MNGFOPLZVPIMOO-UHFFFAOYSA-N 1 2 276.340 0.045 20 30 CCEDLO COCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C#CC(C)C)O2 ZINC001327350786 914494192 /nfs/dbraw/zinc/49/41/92/914494192.db2.gz VJADCFUWQAZSOV-AWEZNQCLSA-N 1 2 294.395 0.642 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001327397369 914518418 /nfs/dbraw/zinc/51/84/18/914518418.db2.gz QFRSGAZQUUFJHD-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCCO)C1 ZINC001042631167 902679408 /nfs/dbraw/zinc/67/94/08/902679408.db2.gz XIGQKADSCBVRPV-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO COCC#CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001330701556 903908175 /nfs/dbraw/zinc/90/81/75/903908175.db2.gz FAOOBPCHSGHALN-ZDUSSCGKSA-N 1 2 275.352 0.851 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001398693816 914788364 /nfs/dbraw/zinc/78/83/64/914788364.db2.gz XJRJTNRNSFLJNX-GHMZBOCLSA-N 1 2 277.328 0.557 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001398693816 914788372 /nfs/dbraw/zinc/78/83/72/914788372.db2.gz XJRJTNRNSFLJNX-GHMZBOCLSA-N 1 2 277.328 0.557 20 30 CCEDLO C[C@H](NCC#N)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282156710 904426492 /nfs/dbraw/zinc/42/64/92/904426492.db2.gz PNSLGECIWUPJPQ-QWRGUYRKSA-N 1 2 271.324 0.954 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cncn2C)C1 ZINC001282705359 904525759 /nfs/dbraw/zinc/52/57/59/904525759.db2.gz DVGFACKDBBOBTD-GFCCVEGCSA-N 1 2 286.379 0.770 20 30 CCEDLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CN(CC#N)C1 ZINC001282725417 904529097 /nfs/dbraw/zinc/52/90/97/904529097.db2.gz OWDZDCHSSORYSC-NSHDSACASA-N 1 2 275.356 0.313 20 30 CCEDLO CC#CC[NH2+][C@H](CO)CNC(=O)c1n[nH]c2ccccc21 ZINC001283824543 905039339 /nfs/dbraw/zinc/03/93/39/905039339.db2.gz LTJAEKMGDNMFCF-NSHDSACASA-N 1 2 286.335 0.267 20 30 CCEDLO C=CCCC(=O)NC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001283924603 905087783 /nfs/dbraw/zinc/08/77/83/905087783.db2.gz OSZWFXPLLNDNSP-CYBMUJFWSA-N 1 2 290.367 0.860 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001284271744 905229714 /nfs/dbraw/zinc/22/97/14/905229714.db2.gz DLPZCFLAVYNJDK-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001378005097 905323791 /nfs/dbraw/zinc/32/37/91/905323791.db2.gz LFTWEWBOPCTYQG-WDEREUQCSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001378005097 905323805 /nfs/dbraw/zinc/32/38/05/905323805.db2.gz LFTWEWBOPCTYQG-WDEREUQCSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001378114252 905431173 /nfs/dbraw/zinc/43/11/73/905431173.db2.gz CRWBLTZFVWWKJZ-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001378114252 905431185 /nfs/dbraw/zinc/43/11/85/905431185.db2.gz CRWBLTZFVWWKJZ-MNOVXSKESA-N 1 2 276.764 0.591 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001285656465 905708692 /nfs/dbraw/zinc/70/86/92/905708692.db2.gz ZCSFBROZHQFQKE-LBPRGKRZSA-N 1 2 290.367 0.719 20 30 CCEDLO CC(C)OCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001378657673 905737926 /nfs/dbraw/zinc/73/79/26/905737926.db2.gz ZCHLZVQCRRHIQT-CHWSQXEVSA-N 1 2 283.372 0.388 20 30 CCEDLO CC(C)OCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001378657673 905737938 /nfs/dbraw/zinc/73/79/38/905737938.db2.gz ZCHLZVQCRRHIQT-CHWSQXEVSA-N 1 2 283.372 0.388 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@]1(C#N)CCSC1 ZINC001292651288 906317539 /nfs/dbraw/zinc/31/75/39/906317539.db2.gz VRYHYDLTQPRPQN-NSHDSACASA-N 1 2 250.327 0.478 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001293008740 906383918 /nfs/dbraw/zinc/38/39/18/906383918.db2.gz DMCYGOOMYAZZPW-QWHCGFSZSA-N 1 2 292.383 0.964 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001295038970 906665560 /nfs/dbraw/zinc/66/55/60/906665560.db2.gz QWLLXCGZLWELGI-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C=C[C@H](COC)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001335498061 906830027 /nfs/dbraw/zinc/83/00/27/906830027.db2.gz QMWIXLVNRZGNEJ-VXGBXAGGSA-N 1 2 266.345 0.605 20 30 CCEDLO C=CCCCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001298692953 907303520 /nfs/dbraw/zinc/30/35/20/907303520.db2.gz HVXNPGKFWXTFPM-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001492228312 907780695 /nfs/dbraw/zinc/78/06/95/907780695.db2.gz IPNABBOFSRJKHN-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001492228312 907780698 /nfs/dbraw/zinc/78/06/98/907780698.db2.gz IPNABBOFSRJKHN-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001492378535 907886055 /nfs/dbraw/zinc/88/60/55/907886055.db2.gz QOSUNYQSVUYSBP-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001492378535 907886062 /nfs/dbraw/zinc/88/60/62/907886062.db2.gz QOSUNYQSVUYSBP-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#C[C@@H](CO)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC001308882867 908438110 /nfs/dbraw/zinc/43/81/10/908438110.db2.gz NINZDFRGOHJILF-JTQLQIEISA-N 1 2 292.339 0.907 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)NC2CCN(CC#N)CC2)c1 ZINC001311895883 908574862 /nfs/dbraw/zinc/57/48/62/908574862.db2.gz NNMYSLDOFBAJSG-UHFFFAOYSA-N 1 2 290.371 0.250 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317984889 909557869 /nfs/dbraw/zinc/55/78/69/909557869.db2.gz HEQGJTZQCYOPTK-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317984889 909557887 /nfs/dbraw/zinc/55/78/87/909557887.db2.gz HEQGJTZQCYOPTK-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCC[C@@H](C)O)C2)c1 ZINC001318061075 909604137 /nfs/dbraw/zinc/60/41/37/909604137.db2.gz NGRPNUPBPQMALF-GFCCVEGCSA-N 1 2 287.363 0.638 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001318346750 909719233 /nfs/dbraw/zinc/71/92/33/909719233.db2.gz DNZSIHWSIOJKQP-TUAOUCFPSA-N 1 2 265.357 0.135 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001318346750 909719243 /nfs/dbraw/zinc/71/92/43/909719243.db2.gz DNZSIHWSIOJKQP-TUAOUCFPSA-N 1 2 265.357 0.135 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319606439 910223116 /nfs/dbraw/zinc/22/31/16/910223116.db2.gz IDKPMZWNXCCOJL-ZYHUDNBSSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320232230 910525143 /nfs/dbraw/zinc/52/51/43/910525143.db2.gz NRDBTYNRGYWNRU-BQBZGAKWSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001320232230 910525154 /nfs/dbraw/zinc/52/51/54/910525154.db2.gz NRDBTYNRGYWNRU-BQBZGAKWSA-N 1 2 258.215 0.140 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001390766831 910661870 /nfs/dbraw/zinc/66/18/70/910661870.db2.gz NIYDAXZEKWCVAG-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001390766831 910661881 /nfs/dbraw/zinc/66/18/81/910661881.db2.gz NIYDAXZEKWCVAG-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)CCc1c[nH+]cn1C ZINC001321047817 911045979 /nfs/dbraw/zinc/04/59/79/911045979.db2.gz YYODXSJIWOEVEZ-GFCCVEGCSA-N 1 2 250.302 0.398 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)Nc1cnn(CC#N)c1 ZINC001321079209 911068820 /nfs/dbraw/zinc/06/88/20/911068820.db2.gz HMDYUUZAMQLHIX-UHFFFAOYSA-N 1 2 258.285 0.711 20 30 CCEDLO COCCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001392466720 911833186 /nfs/dbraw/zinc/83/31/86/911833186.db2.gz OHGRIXVGRBIEDB-VHSXEESVSA-N 1 2 295.343 0.012 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001322642260 911896761 /nfs/dbraw/zinc/89/67/61/911896761.db2.gz QQSXPXGYZXOEBC-NSHDSACASA-N 1 2 275.356 0.338 20 30 CCEDLO C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1CCCC1 ZINC001492494152 911971923 /nfs/dbraw/zinc/97/19/23/911971923.db2.gz QPLUACBHVNCLPY-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1CCCC1 ZINC001492494152 911971940 /nfs/dbraw/zinc/97/19/40/911971940.db2.gz QPLUACBHVNCLPY-GFCCVEGCSA-N 1 2 294.399 0.500 20 30 CCEDLO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001392825090 912178120 /nfs/dbraw/zinc/17/81/20/912178120.db2.gz RHASLAHSBDCUNV-VXGBXAGGSA-N 1 2 295.387 0.044 20 30 CCEDLO CC(C)NC(=O)NCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001392825090 912178124 /nfs/dbraw/zinc/17/81/24/912178124.db2.gz RHASLAHSBDCUNV-VXGBXAGGSA-N 1 2 295.387 0.044 20 30 CCEDLO C#CCn1cc(CNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001328361152 915140871 /nfs/dbraw/zinc/14/08/71/915140871.db2.gz ZNPLCDVHCASGPY-UHFFFAOYSA-N 1 2 257.297 0.488 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccnn1C)C1CC1 ZINC001399995049 915496686 /nfs/dbraw/zinc/49/66/86/915496686.db2.gz INRUNDXHUMAYHX-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1ccnn1C)C1CC1 ZINC001399995049 915496691 /nfs/dbraw/zinc/49/66/91/915496691.db2.gz INRUNDXHUMAYHX-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001400648635 915843262 /nfs/dbraw/zinc/84/32/62/915843262.db2.gz IJPHORDZZUDMJY-SNVBAGLBSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001400648635 915843270 /nfs/dbraw/zinc/84/32/70/915843270.db2.gz IJPHORDZZUDMJY-SNVBAGLBSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001329576769 916029311 /nfs/dbraw/zinc/02/93/11/916029311.db2.gz PTTJBFYBBSPTPI-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001329576769 916029325 /nfs/dbraw/zinc/02/93/25/916029325.db2.gz PTTJBFYBBSPTPI-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)o1 ZINC001402035297 916767102 /nfs/dbraw/zinc/76/71/02/916767102.db2.gz DLTPOVGZGMDKQY-JTQLQIEISA-N 1 2 291.355 0.961 20 30 CCEDLO COC(=O)NC1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001330699045 916798888 /nfs/dbraw/zinc/79/88/88/916798888.db2.gz YIIFQIRWSRGPHC-SNVBAGLBSA-N 1 2 253.302 0.081 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCOCC1 ZINC001331282049 917240922 /nfs/dbraw/zinc/24/09/22/917240922.db2.gz PHHVCWQPECMYCF-YPMHNXCESA-N 1 2 261.325 0.989 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001331406909 917310629 /nfs/dbraw/zinc/31/06/29/917310629.db2.gz PELCBUHLUXMBQH-RKDXNWHRSA-N 1 2 265.317 0.474 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@H]1CCCOC1 ZINC001331426376 917324390 /nfs/dbraw/zinc/32/43/90/917324390.db2.gz MXVZUUPLOHRMPX-RWMBFGLXSA-N 1 2 298.383 0.754 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)CC)C1 ZINC001403291177 917633300 /nfs/dbraw/zinc/63/33/00/917633300.db2.gz DWHOITSGFJUINK-JTQLQIEISA-N 1 2 287.791 0.702 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001403504241 917747980 /nfs/dbraw/zinc/74/79/80/917747980.db2.gz FZWLUZCCKUQZEP-RYUDHWBXSA-N 1 2 282.388 0.355 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001403504241 917747990 /nfs/dbraw/zinc/74/79/90/917747990.db2.gz FZWLUZCCKUQZEP-RYUDHWBXSA-N 1 2 282.388 0.355 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CC)C1 ZINC001404676930 918418922 /nfs/dbraw/zinc/41/89/22/918418922.db2.gz BWQCCOHUCMJFKR-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)CC)C1 ZINC001404676930 918418933 /nfs/dbraw/zinc/41/89/33/918418933.db2.gz BWQCCOHUCMJFKR-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001332764307 918423484 /nfs/dbraw/zinc/42/34/84/918423484.db2.gz PUFVVAJFVOPVAG-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001332764307 918423489 /nfs/dbraw/zinc/42/34/89/918423489.db2.gz PUFVVAJFVOPVAG-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404686499 918428071 /nfs/dbraw/zinc/42/80/71/918428071.db2.gz YIKROAYJCLHXFT-NXEZZACHSA-N 1 2 289.339 0.075 20 30 CCEDLO C=CCn1nnnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001332939241 918546623 /nfs/dbraw/zinc/54/66/23/918546623.db2.gz IVBWJVLVTHBYGJ-GFCCVEGCSA-N 1 2 272.312 0.912 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001405098781 918600425 /nfs/dbraw/zinc/60/04/25/918600425.db2.gz KNBWMVSZGQVLFY-VXGBXAGGSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001405098781 918600442 /nfs/dbraw/zinc/60/04/42/918600442.db2.gz KNBWMVSZGQVLFY-VXGBXAGGSA-N 1 2 290.371 0.490 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCOC1 ZINC001333396772 918865550 /nfs/dbraw/zinc/86/55/50/918865550.db2.gz BJKJLYKGWSEXIH-MFKMUULPSA-N 1 2 260.297 0.764 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001333569438 919007420 /nfs/dbraw/zinc/00/74/20/919007420.db2.gz XQPXDSHEZOYORG-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001333569438 919007432 /nfs/dbraw/zinc/00/74/32/919007432.db2.gz XQPXDSHEZOYORG-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001406107138 919053001 /nfs/dbraw/zinc/05/30/01/919053001.db2.gz JEPHVLURJANWDX-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001406107138 919053009 /nfs/dbraw/zinc/05/30/09/919053009.db2.gz JEPHVLURJANWDX-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406510680 919315204 /nfs/dbraw/zinc/31/52/04/919315204.db2.gz UIKXQRPVOWUJAN-GHMZBOCLSA-N 1 2 289.339 0.171 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001413960345 920228038 /nfs/dbraw/zinc/22/80/38/920228038.db2.gz GBKPAYKVTQXUPK-RNODOKPDSA-N 1 2 299.440 0.037 20 30 CCEDLO C[S@@](=O)CCN1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001413960345 920228056 /nfs/dbraw/zinc/22/80/56/920228056.db2.gz GBKPAYKVTQXUPK-RNODOKPDSA-N 1 2 299.440 0.037 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)C(F)(F)F ZINC001335986434 920545913 /nfs/dbraw/zinc/54/59/13/920545913.db2.gz KUOSARNNMALZST-RKDXNWHRSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)C(F)(F)F ZINC001335986434 920545928 /nfs/dbraw/zinc/54/59/28/920545928.db2.gz KUOSARNNMALZST-RKDXNWHRSA-N 1 2 253.268 0.733 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[NH2+]Cc1nc(CC2CC2)no1 ZINC001418207933 921913987 /nfs/dbraw/zinc/91/39/87/921913987.db2.gz CHIUTWCZCCQIGN-NXEZZACHSA-N 1 2 291.355 0.776 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCSCC1 ZINC001418996769 922552278 /nfs/dbraw/zinc/55/22/78/922552278.db2.gz DFRWHZUJHJHHQP-NSHDSACASA-N 1 2 294.380 0.466 20 30 CCEDLO N#CC1(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCSCC1 ZINC001418996769 922552291 /nfs/dbraw/zinc/55/22/91/922552291.db2.gz DFRWHZUJHJHHQP-NSHDSACASA-N 1 2 294.380 0.466 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001341650219 922605078 /nfs/dbraw/zinc/60/50/78/922605078.db2.gz YMHNDQCDEMTFGT-KCJUWKMLSA-N 1 2 255.281 0.404 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC=CCC1 ZINC001342061735 922787169 /nfs/dbraw/zinc/78/71/69/922787169.db2.gz KYYQPAYVZNZRLU-CHWSQXEVSA-N 1 2 289.383 0.968 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC=CCC1 ZINC001342061735 922787181 /nfs/dbraw/zinc/78/71/81/922787181.db2.gz KYYQPAYVZNZRLU-CHWSQXEVSA-N 1 2 289.383 0.968 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001342868718 923117575 /nfs/dbraw/zinc/11/75/75/923117575.db2.gz BWCJIBHUSUAAEU-OLZOCXBDSA-N 1 2 291.399 0.713 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001342868718 923117584 /nfs/dbraw/zinc/11/75/84/923117584.db2.gz BWCJIBHUSUAAEU-OLZOCXBDSA-N 1 2 291.399 0.713 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001420561670 923782205 /nfs/dbraw/zinc/78/22/05/923782205.db2.gz OKVZEUHHIBIXRL-SNVBAGLBSA-N 1 2 283.763 0.538 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001420561670 923782217 /nfs/dbraw/zinc/78/22/17/923782217.db2.gz OKVZEUHHIBIXRL-SNVBAGLBSA-N 1 2 283.763 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001420564540 923785287 /nfs/dbraw/zinc/78/52/87/923785287.db2.gz DDCHBPVRQUTWJT-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001420564540 923785304 /nfs/dbraw/zinc/78/53/04/923785304.db2.gz DDCHBPVRQUTWJT-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1C[NH+](CCc2ccnn2C)C1 ZINC001421051777 924120655 /nfs/dbraw/zinc/12/06/55/924120655.db2.gz MPCFSBXSUSRJFD-LLVKDONJSA-N 1 2 275.356 0.265 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001346767798 924308161 /nfs/dbraw/zinc/30/81/61/924308161.db2.gz UJZOMDCSSKRYQA-RBSFLKMASA-N 1 2 292.427 0.676 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001346767798 924308169 /nfs/dbraw/zinc/30/81/69/924308169.db2.gz UJZOMDCSSKRYQA-RBSFLKMASA-N 1 2 292.427 0.676 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC001346873389 924323116 /nfs/dbraw/zinc/32/31/16/924323116.db2.gz IULOOMPZFUDKCM-ZDUSSCGKSA-N 1 2 292.383 0.303 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001347187360 924392420 /nfs/dbraw/zinc/39/24/20/924392420.db2.gz QTILFIFMXUKHAQ-HUUCEWRRSA-N 1 2 290.411 0.289 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001347187360 924392426 /nfs/dbraw/zinc/39/24/26/924392426.db2.gz QTILFIFMXUKHAQ-HUUCEWRRSA-N 1 2 290.411 0.289 20 30 CCEDLO C=CC[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OCC ZINC001349625557 925007195 /nfs/dbraw/zinc/00/71/95/925007195.db2.gz OKDYRCBMGFOURW-GHMZBOCLSA-N 1 2 254.330 0.753 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OCC ZINC001349625558 925007548 /nfs/dbraw/zinc/00/75/48/925007548.db2.gz OKDYRCBMGFOURW-MNOVXSKESA-N 1 2 254.330 0.753 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N1CCN(CCC#N)CC1 ZINC001352899289 925667503 /nfs/dbraw/zinc/66/75/03/925667503.db2.gz QESPXLWLEWEBOZ-CQSZACIVSA-N 1 2 266.389 0.238 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2C)CC1 ZINC001355652065 926298262 /nfs/dbraw/zinc/29/82/62/926298262.db2.gz BLQQEOGMXWMSCZ-NEPJUHHUSA-N 1 2 259.357 0.694 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccon2)C1 ZINC001421342596 926687351 /nfs/dbraw/zinc/68/73/51/926687351.db2.gz YTCSQJFEFJJYPT-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccon2)C1 ZINC001421342596 926687361 /nfs/dbraw/zinc/68/73/61/926687361.db2.gz YTCSQJFEFJJYPT-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO CC#CC[C@@H](CO)[NH2+]Cc1snc(OC)c1C(=O)OC ZINC001474606133 926908678 /nfs/dbraw/zinc/90/86/78/926908678.db2.gz FWWQIIFVKFRONH-VIFPVBQESA-N 1 2 298.364 0.802 20 30 CCEDLO CC[C@H](C[NH+]1CC(CCO)(NC(=O)[C@H](C)C#N)C1)OC ZINC001422606284 927402651 /nfs/dbraw/zinc/40/26/51/927402651.db2.gz QMZXQWHAVQADRC-VXGBXAGGSA-N 1 2 283.372 0.124 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001362390862 927957487 /nfs/dbraw/zinc/95/74/87/927957487.db2.gz IKIHCADKXDBMTG-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001424545749 928211520 /nfs/dbraw/zinc/21/15/20/928211520.db2.gz UWQBTRFUMUFCGB-NXEZZACHSA-N 1 2 289.339 0.075 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC1(C#N)CCOCC1 ZINC001362715097 928400955 /nfs/dbraw/zinc/40/09/55/928400955.db2.gz CFQLIFAEYVXWCS-LLVKDONJSA-N 1 2 292.339 0.280 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001443996636 929763661 /nfs/dbraw/zinc/76/36/61/929763661.db2.gz SNGDUNNPVIPAKU-MNOVXSKESA-N 1 2 291.355 0.085 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001446531891 930428571 /nfs/dbraw/zinc/42/85/71/930428571.db2.gz UCIITDJJYCYPBE-JOYOIKCWSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001446531891 930428578 /nfs/dbraw/zinc/42/85/78/930428578.db2.gz UCIITDJJYCYPBE-JOYOIKCWSA-N 1 2 288.779 0.376 20 30 CCEDLO C[C@H](O)CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001447372451 930618971 /nfs/dbraw/zinc/61/89/71/930618971.db2.gz BLVYQISRZSREBV-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375222795 930823302 /nfs/dbraw/zinc/82/33/02/930823302.db2.gz TXRABLBKEQHQBA-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588662553 983789772 /nfs/dbraw/zinc/78/97/72/983789772.db2.gz BRIMGTGPEKTMSC-NEPJUHHUSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588662553 983789773 /nfs/dbraw/zinc/78/97/73/983789773.db2.gz BRIMGTGPEKTMSC-NEPJUHHUSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001588664089 983798531 /nfs/dbraw/zinc/79/85/31/983798531.db2.gz SMBKORFJZVHROK-LBPRGKRZSA-N 1 2 295.383 0.431 20 30 CCEDLO C=CC[C@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588727305 983975632 /nfs/dbraw/zinc/97/56/32/983975632.db2.gz BKRQMEKLQQHYDY-CHWSQXEVSA-N 1 2 295.383 0.430 20 30 CCEDLO C=CC[C@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588727305 983975635 /nfs/dbraw/zinc/97/56/35/983975635.db2.gz BKRQMEKLQQHYDY-CHWSQXEVSA-N 1 2 295.383 0.430 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCOCCC#N)C1 ZINC000599580944 361751448 /nfs/dbraw/zinc/75/14/48/361751448.db2.gz JXKZJTAAWROVOJ-RYUDHWBXSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOCCC#N)C1 ZINC000599580944 361751451 /nfs/dbraw/zinc/75/14/51/361751451.db2.gz JXKZJTAAWROVOJ-RYUDHWBXSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCCC#N)C1 ZINC000599581221 361753594 /nfs/dbraw/zinc/75/35/94/361753594.db2.gz DXNYAUIQSNDZAB-MNOVXSKESA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCCC#N)C1 ZINC000599581221 361753599 /nfs/dbraw/zinc/75/35/99/361753599.db2.gz DXNYAUIQSNDZAB-MNOVXSKESA-N 1 2 268.313 0.717 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000599796977 361815563 /nfs/dbraw/zinc/81/55/63/361815563.db2.gz CXPYKLNWCPBXNP-LLVKDONJSA-N 1 2 275.312 0.405 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000599796977 361815568 /nfs/dbraw/zinc/81/55/68/361815568.db2.gz CXPYKLNWCPBXNP-LLVKDONJSA-N 1 2 275.312 0.405 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000600208550 361891353 /nfs/dbraw/zinc/89/13/53/361891353.db2.gz MISBTKSZBMVPMY-SNVBAGLBSA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000600208550 361891356 /nfs/dbraw/zinc/89/13/56/361891356.db2.gz MISBTKSZBMVPMY-SNVBAGLBSA-N 1 2 265.338 0.696 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600235350 361898952 /nfs/dbraw/zinc/89/89/52/361898952.db2.gz YFSSBXKQNOVTPN-DOMZBBRYSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600235350 361898959 /nfs/dbraw/zinc/89/89/59/361898959.db2.gz YFSSBXKQNOVTPN-DOMZBBRYSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C#N)CCO1 ZINC000347704885 529391020 /nfs/dbraw/zinc/39/10/20/529391020.db2.gz VTAIQRRVRCCQBV-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C#N)CCO1 ZINC000347704885 529391023 /nfs/dbraw/zinc/39/10/23/529391023.db2.gz VTAIQRRVRCCQBV-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000356076911 529445756 /nfs/dbraw/zinc/44/57/56/529445756.db2.gz LCPBHQWMTNDWRW-NSHDSACASA-N 1 2 268.361 0.251 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000356076911 529445759 /nfs/dbraw/zinc/44/57/59/529445759.db2.gz LCPBHQWMTNDWRW-NSHDSACASA-N 1 2 268.361 0.251 20 30 CCEDLO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(C#N)cc1 ZINC000338371815 214561092 /nfs/dbraw/zinc/56/10/92/214561092.db2.gz WJEXOEKLJKZWDY-MRVPVSSYSA-N 1 2 269.312 0.419 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)nc(C2CC2)n1 ZINC000600862936 362081720 /nfs/dbraw/zinc/08/17/20/362081720.db2.gz DKRFWNOFVOZILJ-GFCCVEGCSA-N 1 2 273.340 0.390 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)nc(C2CC2)n1 ZINC000600862936 362081724 /nfs/dbraw/zinc/08/17/24/362081724.db2.gz DKRFWNOFVOZILJ-GFCCVEGCSA-N 1 2 273.340 0.390 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000617720255 365727500 /nfs/dbraw/zinc/72/75/00/365727500.db2.gz AJKMXULAXHPFNI-VXGBXAGGSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000617720255 365727502 /nfs/dbraw/zinc/72/75/02/365727502.db2.gz AJKMXULAXHPFNI-VXGBXAGGSA-N 1 2 293.371 0.303 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@]3(C)CCOC3)C[C@H]21 ZINC000329981029 529785098 /nfs/dbraw/zinc/78/50/98/529785098.db2.gz MNJGVYSIUSPVSU-BZPMIXESSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@]3(C)CCOC3)C[C@H]21 ZINC000329981029 529785100 /nfs/dbraw/zinc/78/51/00/529785100.db2.gz MNJGVYSIUSPVSU-BZPMIXESSA-N 1 2 283.372 0.342 20 30 CCEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000329977141 529786663 /nfs/dbraw/zinc/78/66/63/529786663.db2.gz ZHVKNHVVYKCIQS-GHMZBOCLSA-N 1 2 282.344 0.034 20 30 CCEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000329977141 529786664 /nfs/dbraw/zinc/78/66/64/529786664.db2.gz ZHVKNHVVYKCIQS-GHMZBOCLSA-N 1 2 282.344 0.034 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000329977141 529786666 /nfs/dbraw/zinc/78/66/66/529786666.db2.gz ZHVKNHVVYKCIQS-GHMZBOCLSA-N 1 2 282.344 0.034 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC000329977141 529786667 /nfs/dbraw/zinc/78/66/67/529786667.db2.gz ZHVKNHVVYKCIQS-GHMZBOCLSA-N 1 2 282.344 0.034 20 30 CCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C=Cc1[nH]cc[nH+]1 ZINC000493558388 529896517 /nfs/dbraw/zinc/89/65/17/529896517.db2.gz PLAQATROZOGKDD-SNAWJCMRSA-N 1 2 299.338 0.521 20 30 CCEDLO CNC(=O)[C@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000330422418 529923097 /nfs/dbraw/zinc/92/30/97/529923097.db2.gz HKKPUTFFNNDUAP-SECBINFHSA-N 1 2 265.317 0.045 20 30 CCEDLO CC(C)[NH+]1CCC(C(=O)N=c2[nH][nH]cc2C#N)CC1 ZINC000601636608 362334075 /nfs/dbraw/zinc/33/40/75/362334075.db2.gz MPINQOYFVDBMND-UHFFFAOYSA-N 1 2 261.329 0.762 20 30 CCEDLO C=C(C)C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000601781013 362389815 /nfs/dbraw/zinc/38/98/15/362389815.db2.gz FIPHLUDLFIZRGT-NSHDSACASA-N 1 2 268.357 0.952 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ncc(CCO)cn1 ZINC000601962374 362439128 /nfs/dbraw/zinc/43/91/28/362439128.db2.gz LLQRVGXZXXMCBY-LBPRGKRZSA-N 1 2 296.396 0.310 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ncc(CCO)cn1 ZINC000601962374 362439130 /nfs/dbraw/zinc/43/91/30/362439130.db2.gz LLQRVGXZXXMCBY-LBPRGKRZSA-N 1 2 296.396 0.310 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000602020714 362461559 /nfs/dbraw/zinc/46/15/59/362461559.db2.gz MTHNYQTWQAYMST-UHFFFAOYSA-N 1 2 251.359 0.587 20 30 CCEDLO CC(C)(C(=O)N1CCN(CCC#N)CC1)c1c[nH+]c[nH]1 ZINC000602205416 362558399 /nfs/dbraw/zinc/55/83/99/362558399.db2.gz FIOZORIKOBHTJE-UHFFFAOYSA-N 1 2 275.356 0.745 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000602326426 362586387 /nfs/dbraw/zinc/58/63/87/362586387.db2.gz BXZMKWSIIHUDNW-AXFHLTTASA-N 1 2 259.313 0.799 20 30 CCEDLO N#CCC[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000516927268 260291521 /nfs/dbraw/zinc/29/15/21/260291521.db2.gz FZSKIDUAWOJRMQ-VIFPVBQESA-N 1 2 274.367 0.386 20 30 CCEDLO C[C@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000602608836 362712143 /nfs/dbraw/zinc/71/21/43/362712143.db2.gz XGSOMISIVZCNKU-MRVPVSSYSA-N 1 2 271.317 0.722 20 30 CCEDLO COCC[N@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777707 362796364 /nfs/dbraw/zinc/79/63/64/362796364.db2.gz KJOYOEMUWATQFA-UHFFFAOYSA-N 1 2 281.316 0.962 20 30 CCEDLO COCC[N@@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777707 362796367 /nfs/dbraw/zinc/79/63/67/362796367.db2.gz KJOYOEMUWATQFA-UHFFFAOYSA-N 1 2 281.316 0.962 20 30 CCEDLO COC(=O)CN(CC[NH+]1CCOCC1)CC1(CC#N)CC1 ZINC000602783751 362799115 /nfs/dbraw/zinc/79/91/15/362799115.db2.gz RITJHULKVNCJBC-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860787 362844997 /nfs/dbraw/zinc/84/49/97/362844997.db2.gz HXZKCGVKJRXEIZ-WCBMZHEXSA-N 1 2 279.296 0.405 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860787 362845002 /nfs/dbraw/zinc/84/50/02/362845002.db2.gz HXZKCGVKJRXEIZ-WCBMZHEXSA-N 1 2 279.296 0.405 20 30 CCEDLO N#Cc1ncn(CCNC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000342881208 137102513 /nfs/dbraw/zinc/10/25/13/137102513.db2.gz GYZDMZIEHYBVNF-UHFFFAOYSA-N 1 2 281.279 0.227 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007591303 348008385 /nfs/dbraw/zinc/00/83/85/348008385.db2.gz PNJAYZJAPWJVKX-HNNXBMFYSA-N 1 2 296.415 0.841 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007591303 348008388 /nfs/dbraw/zinc/00/83/88/348008388.db2.gz PNJAYZJAPWJVKX-HNNXBMFYSA-N 1 2 296.415 0.841 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000023287553 348084427 /nfs/dbraw/zinc/08/44/27/348084427.db2.gz HKAABZVDDJRYAW-UHFFFAOYSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000023287553 348084432 /nfs/dbraw/zinc/08/44/32/348084432.db2.gz HKAABZVDDJRYAW-UHFFFAOYSA-N 1 2 298.390 0.954 20 30 CCEDLO Cc1ccc(NCC[NH+]2CCN(C)CC2)nc1C#N ZINC000344991090 137226515 /nfs/dbraw/zinc/22/65/15/137226515.db2.gz VBBUBKWANALBAP-UHFFFAOYSA-N 1 2 259.357 0.343 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000034651162 348150947 /nfs/dbraw/zinc/15/09/47/348150947.db2.gz MLXLTYFSFCGWJW-UHFFFAOYSA-N 1 2 279.365 0.884 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000602870052 362852681 /nfs/dbraw/zinc/85/26/81/362852681.db2.gz KKFJKUITEDOUTQ-SECBINFHSA-N 1 2 255.318 0.336 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000041992520 348263976 /nfs/dbraw/zinc/26/39/76/348263976.db2.gz QDSUWGMSLIOPEL-LLVKDONJSA-N 1 2 297.318 0.898 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973755 362916262 /nfs/dbraw/zinc/91/62/62/362916262.db2.gz FCRCSRXHTJIZAC-MNOVXSKESA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973755 362916266 /nfs/dbraw/zinc/91/62/66/362916266.db2.gz FCRCSRXHTJIZAC-MNOVXSKESA-N 1 2 264.329 0.622 20 30 CCEDLO CCOCCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977576 362917690 /nfs/dbraw/zinc/91/76/90/362917690.db2.gz DCNGJDQMYYZFBZ-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977576 362917698 /nfs/dbraw/zinc/91/76/98/362917698.db2.gz DCNGJDQMYYZFBZ-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000602940379 362900564 /nfs/dbraw/zinc/90/05/64/362900564.db2.gz FYAJLXOPKDAUHZ-UHFFFAOYSA-N 1 2 261.329 0.712 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000602940379 362900565 /nfs/dbraw/zinc/90/05/65/362900565.db2.gz FYAJLXOPKDAUHZ-UHFFFAOYSA-N 1 2 261.329 0.712 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCSCC1)C1CC1 ZINC000047987362 348394468 /nfs/dbraw/zinc/39/44/68/348394468.db2.gz XFCFAGFRMSBJGO-LBPRGKRZSA-N 1 2 253.371 0.844 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982765 362922117 /nfs/dbraw/zinc/92/21/17/362922117.db2.gz XVPXCVCDZXCZPR-QWRGUYRKSA-N 1 2 259.375 0.502 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982765 362922119 /nfs/dbraw/zinc/92/21/19/362922119.db2.gz XVPXCVCDZXCZPR-QWRGUYRKSA-N 1 2 259.375 0.502 20 30 CCEDLO CNC(=O)Cc1noc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000348906055 137379813 /nfs/dbraw/zinc/37/98/13/137379813.db2.gz FASXRRCLTCUBKJ-UHFFFAOYSA-N 1 2 299.334 0.862 20 30 CCEDLO CNC(=O)Cc1noc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000348906055 137379814 /nfs/dbraw/zinc/37/98/14/137379814.db2.gz FASXRRCLTCUBKJ-UHFFFAOYSA-N 1 2 299.334 0.862 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000051791199 348494502 /nfs/dbraw/zinc/49/45/02/348494502.db2.gz LPYRPNSYWGFWFD-UHFFFAOYSA-N 1 2 267.373 0.597 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000051791199 348494505 /nfs/dbraw/zinc/49/45/05/348494505.db2.gz LPYRPNSYWGFWFD-UHFFFAOYSA-N 1 2 267.373 0.597 20 30 CCEDLO CC(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855733 348648514 /nfs/dbraw/zinc/64/85/14/348648514.db2.gz WYPJWPHEQOULKI-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C=C(C)C[N@@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000057847818 348617676 /nfs/dbraw/zinc/61/76/76/348617676.db2.gz OCMDCRBRTIODIE-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(C)C[N@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000057847818 348617678 /nfs/dbraw/zinc/61/76/78/348617678.db2.gz OCMDCRBRTIODIE-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000064246552 348697589 /nfs/dbraw/zinc/69/75/89/348697589.db2.gz QZBQHAJUTXOEFX-ZDUSSCGKSA-N 1 2 296.415 0.795 20 30 CCEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000064246552 348697594 /nfs/dbraw/zinc/69/75/94/348697594.db2.gz QZBQHAJUTXOEFX-ZDUSSCGKSA-N 1 2 296.415 0.795 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCOC3=O)CC2)cc1 ZINC000073620247 348957286 /nfs/dbraw/zinc/95/72/86/348957286.db2.gz UIJIQGWAKILEQQ-HNNXBMFYSA-N 1 2 285.347 0.991 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2nnnn2C2CC2)cc1 ZINC000077377658 349107962 /nfs/dbraw/zinc/10/79/62/349107962.db2.gz MQYICPMPNSXIJH-UHFFFAOYSA-N 1 2 288.311 0.854 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NCC ZINC000077377409 349108377 /nfs/dbraw/zinc/10/83/77/349108377.db2.gz SIZQHBYXHFRERG-LBPRGKRZSA-N 1 2 269.389 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NCC ZINC000077377409 349108378 /nfs/dbraw/zinc/10/83/78/349108378.db2.gz SIZQHBYXHFRERG-LBPRGKRZSA-N 1 2 269.389 0.867 20 30 CCEDLO CC(C)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681784 349148968 /nfs/dbraw/zinc/14/89/68/349148968.db2.gz FYUMUOIXRGTJPE-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000081017402 349240210 /nfs/dbraw/zinc/24/02/10/349240210.db2.gz ICJFLZZIVFSCON-LLVKDONJSA-N 1 2 284.356 0.067 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443538 349305859 /nfs/dbraw/zinc/30/58/59/349305859.db2.gz HPHOEYZZDJXJEQ-NSHDSACASA-N 1 2 290.371 0.745 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000084203708 349316814 /nfs/dbraw/zinc/31/68/14/349316814.db2.gz UIUKHJHMCFFWTL-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000084203708 349316817 /nfs/dbraw/zinc/31/68/17/349316817.db2.gz UIUKHJHMCFFWTL-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000084715543 349325458 /nfs/dbraw/zinc/32/54/58/349325458.db2.gz ZDNPBJIBBUKPJD-CYBMUJFWSA-N 1 2 294.399 0.533 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089971071 349416890 /nfs/dbraw/zinc/41/68/90/349416890.db2.gz FWJLDJRLQNCLFF-UHFFFAOYSA-N 1 2 266.263 0.678 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000130482079 350239054 /nfs/dbraw/zinc/23/90/54/350239054.db2.gz HPAQYDCIKDCDNE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000130482079 350239055 /nfs/dbraw/zinc/23/90/55/350239055.db2.gz HPAQYDCIKDCDNE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091753009 180246050 /nfs/dbraw/zinc/24/60/50/180246050.db2.gz OWPPXSSSWUBBHD-ZDUSSCGKSA-N 1 2 286.335 0.646 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091753009 180246053 /nfs/dbraw/zinc/24/60/53/180246053.db2.gz OWPPXSSSWUBBHD-ZDUSSCGKSA-N 1 2 286.335 0.646 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H](CCC)C2)CC1 ZINC000132367289 350305307 /nfs/dbraw/zinc/30/53/07/350305307.db2.gz YACKEPIKMYRRRW-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H](CCC)C2)CC1 ZINC000132367289 350305309 /nfs/dbraw/zinc/30/53/09/350305309.db2.gz YACKEPIKMYRRRW-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603120453 362969166 /nfs/dbraw/zinc/96/91/66/362969166.db2.gz QSSUOFNEVSNRNE-GFCCVEGCSA-N 1 2 275.312 0.405 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603120453 362969170 /nfs/dbraw/zinc/96/91/70/362969170.db2.gz QSSUOFNEVSNRNE-GFCCVEGCSA-N 1 2 275.312 0.405 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccnc(C#N)c1 ZINC000603133767 362972469 /nfs/dbraw/zinc/97/24/69/362972469.db2.gz YNGYPCMOIGOFFX-UHFFFAOYSA-N 1 2 289.339 0.749 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000161877713 350731138 /nfs/dbraw/zinc/73/11/38/350731138.db2.gz XSLXWBXYRLYIAU-LLVKDONJSA-N 1 2 259.313 0.730 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000161877713 350731139 /nfs/dbraw/zinc/73/11/39/350731139.db2.gz XSLXWBXYRLYIAU-LLVKDONJSA-N 1 2 259.313 0.730 20 30 CCEDLO C=CCCCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603199765 362996906 /nfs/dbraw/zinc/99/69/06/362996906.db2.gz UEICUILXKCPUMC-LLVKDONJSA-N 1 2 252.318 0.677 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000176006332 351153326 /nfs/dbraw/zinc/15/33/26/351153326.db2.gz DCQDECJTHZVDBM-ZDUSSCGKSA-N 1 2 288.351 0.823 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000175581113 351134804 /nfs/dbraw/zinc/13/48/04/351134804.db2.gz KLGBAUSFQWJJJZ-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)cs1 ZINC000179677491 351275310 /nfs/dbraw/zinc/27/53/10/351275310.db2.gz KODSLOIJFLBFIU-UHFFFAOYSA-N 1 2 279.365 0.910 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(C#N)cs1 ZINC000179677491 351275311 /nfs/dbraw/zinc/27/53/11/351275311.db2.gz KODSLOIJFLBFIU-UHFFFAOYSA-N 1 2 279.365 0.910 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188831022 351632413 /nfs/dbraw/zinc/63/24/13/351632413.db2.gz XNYAPWKEQIXTEP-NSHDSACASA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])c(C#N)n2)C[C@H](C)O1 ZINC000603357773 363086276 /nfs/dbraw/zinc/08/62/76/363086276.db2.gz GBTCWTWFYAGEAR-UWVGGRQHSA-N 1 2 279.300 0.772 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603376751 363096930 /nfs/dbraw/zinc/09/69/30/363096930.db2.gz YLFGIYRPURWMLJ-UHFFFAOYSA-N 1 2 274.390 0.103 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000603376751 363096935 /nfs/dbraw/zinc/09/69/35/363096935.db2.gz YLFGIYRPURWMLJ-UHFFFAOYSA-N 1 2 274.390 0.103 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339889299 215382788 /nfs/dbraw/zinc/38/27/88/215382788.db2.gz OETATJNFEMBCKG-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339889299 215382791 /nfs/dbraw/zinc/38/27/91/215382791.db2.gz OETATJNFEMBCKG-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CCO)CC2)c1Cl ZINC000236495180 352195715 /nfs/dbraw/zinc/19/57/15/352195715.db2.gz FMQYSIMTEXAIDR-UHFFFAOYSA-N 1 2 266.732 0.721 20 30 CCEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCOCC2)n1 ZINC000258892059 352556329 /nfs/dbraw/zinc/55/63/29/352556329.db2.gz FOEWXSLEEVBUPX-UHFFFAOYSA-N 1 2 260.297 0.015 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292157105 198185171 /nfs/dbraw/zinc/18/51/71/198185171.db2.gz CTSCTCOBNFWENO-UHFFFAOYSA-N 1 2 283.328 0.633 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cnccc2C#N)CC1 ZINC000269949464 352888355 /nfs/dbraw/zinc/88/83/55/352888355.db2.gz IQIGWZYZLIGCBN-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO C#CCSCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000152883302 188050639 /nfs/dbraw/zinc/05/06/39/188050639.db2.gz TZNVEYQDIXYUGB-LLVKDONJSA-N 1 2 272.439 0.906 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(=O)[nH][nH]3)C2)nc1 ZINC000292364435 198259801 /nfs/dbraw/zinc/25/98/01/198259801.db2.gz YDFGJNMFSFVMNY-SNVBAGLBSA-N 1 2 286.295 0.018 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(=O)[nH][nH]3)C2)nc1 ZINC000292364435 198259802 /nfs/dbraw/zinc/25/98/02/198259802.db2.gz YDFGJNMFSFVMNY-SNVBAGLBSA-N 1 2 286.295 0.018 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1C#N ZINC000556760148 291004369 /nfs/dbraw/zinc/00/43/69/291004369.db2.gz AYVMGRCAZRXQMK-GFCCVEGCSA-N 1 2 275.356 0.511 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CO)C2)nc1 ZINC000290163690 353712418 /nfs/dbraw/zinc/71/24/18/353712418.db2.gz DHWMIKIGCSBRCF-LBPRGKRZSA-N 1 2 295.364 0.041 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CO)C2)nc1 ZINC000290163690 353712422 /nfs/dbraw/zinc/71/24/22/353712422.db2.gz DHWMIKIGCSBRCF-LBPRGKRZSA-N 1 2 295.364 0.041 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299301590 354006716 /nfs/dbraw/zinc/00/67/16/354006716.db2.gz OLCOBAWWCPKJLZ-UHFFFAOYSA-N 1 2 283.375 0.937 20 30 CCEDLO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000330856294 354428300 /nfs/dbraw/zinc/42/83/00/354428300.db2.gz SEKIRFYRSRGTIC-HNNXBMFYSA-N 1 2 288.351 0.415 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)c1C#N ZINC000332229502 354632112 /nfs/dbraw/zinc/63/21/12/354632112.db2.gz LSMHPCWOGUMALX-JTQLQIEISA-N 1 2 284.323 0.718 20 30 CCEDLO CC[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)OC ZINC000337255495 355291584 /nfs/dbraw/zinc/29/15/84/355291584.db2.gz SWBQFTJVOLFIOQ-LLVKDONJSA-N 1 2 281.356 0.822 20 30 CCEDLO CC[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)OC ZINC000337255495 355291585 /nfs/dbraw/zinc/29/15/85/355291585.db2.gz SWBQFTJVOLFIOQ-LLVKDONJSA-N 1 2 281.356 0.822 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338626191 355382466 /nfs/dbraw/zinc/38/24/66/355382466.db2.gz MJBYCLKVRGSJKE-OAHLLOKOSA-N 1 2 291.326 0.581 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338626191 355382472 /nfs/dbraw/zinc/38/24/72/355382472.db2.gz MJBYCLKVRGSJKE-OAHLLOKOSA-N 1 2 291.326 0.581 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@H]1CCNC1=O ZINC000340225365 355530562 /nfs/dbraw/zinc/53/05/62/355530562.db2.gz HNWOVDXNMDIGRL-MFKMUULPSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@H]1CCNC1=O ZINC000340225365 355530565 /nfs/dbraw/zinc/53/05/65/355530565.db2.gz HNWOVDXNMDIGRL-MFKMUULPSA-N 1 2 286.335 0.706 20 30 CCEDLO Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C#N)cn1 ZINC000425236971 235275158 /nfs/dbraw/zinc/27/51/58/235275158.db2.gz REQDBGNODBKEFH-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO N#Cc1nccnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354623779 356456247 /nfs/dbraw/zinc/45/62/47/356456247.db2.gz GDEUIRLFEYKPEZ-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)n1cnc(C#N)n1 ZINC000619612017 366298176 /nfs/dbraw/zinc/29/81/76/366298176.db2.gz OBSJBUFWRSRDQH-SNVBAGLBSA-N 1 2 298.306 0.396 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)n1cnc(C#N)n1 ZINC000619612265 366298928 /nfs/dbraw/zinc/29/89/28/366298928.db2.gz UXBQZPQLOPRREO-RYUDHWBXSA-N 1 2 299.338 0.771 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000609484369 363498560 /nfs/dbraw/zinc/49/85/60/363498560.db2.gz BDZUPXSJTFXQAE-AWEZNQCLSA-N 1 2 278.400 0.773 20 30 CCEDLO N#Cc1cccc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)n1 ZINC000355122778 356583554 /nfs/dbraw/zinc/58/35/54/356583554.db2.gz IOIILTDVIQDHOC-ZDUSSCGKSA-N 1 2 285.351 0.354 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609620223 363510417 /nfs/dbraw/zinc/51/04/17/363510417.db2.gz LRGOQLPFKCLTBZ-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO Cc1nc(N(C)CCCc2[nH]nc(N)c2C#N)cc[nH+]1 ZINC000610258269 363546290 /nfs/dbraw/zinc/54/62/90/363546290.db2.gz PZESPGCUTUFYMM-UHFFFAOYSA-N 1 2 271.328 0.861 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000619715719 366333252 /nfs/dbraw/zinc/33/32/52/366333252.db2.gz CRGKHXNTXHSKQL-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000619715719 366333255 /nfs/dbraw/zinc/33/32/55/366333255.db2.gz CRGKHXNTXHSKQL-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000619717739 366336667 /nfs/dbraw/zinc/33/66/67/366336667.db2.gz FZRJYFXTZNXALJ-ZDUSSCGKSA-N 1 2 278.356 0.265 20 30 CCEDLO CN(Cc1nc(C#N)cs1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000356113640 356705319 /nfs/dbraw/zinc/70/53/19/356705319.db2.gz QQFMJNOZJGLWAO-GFCCVEGCSA-N 1 2 296.396 0.140 20 30 CCEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cn[nH]c1 ZINC000610487302 363566338 /nfs/dbraw/zinc/56/63/38/363566338.db2.gz HKRVCDRUYNHFCX-UHFFFAOYSA-N 1 2 274.328 0.497 20 30 CCEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cn[nH]c1 ZINC000610487302 363566343 /nfs/dbraw/zinc/56/63/43/363566343.db2.gz HKRVCDRUYNHFCX-UHFFFAOYSA-N 1 2 274.328 0.497 20 30 CCEDLO Cc1nc(NCCCc2[nH]nc(N)c2C#N)cc[nH+]1 ZINC000360224628 356972676 /nfs/dbraw/zinc/97/26/76/356972676.db2.gz JLZPVNNNGBOKOQ-UHFFFAOYSA-N 1 2 257.301 0.259 20 30 CCEDLO N#CCNC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701417 363600018 /nfs/dbraw/zinc/60/00/18/363600018.db2.gz AANQWKCLEGGODW-UHFFFAOYSA-N 1 2 269.308 0.602 20 30 CCEDLO COC(=O)N1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000496886797 358328365 /nfs/dbraw/zinc/32/83/65/358328365.db2.gz CEDXMJBDAURFAL-FZMZJTMJSA-N 1 2 296.371 0.425 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CCOC)CC1 ZINC000294849615 199212511 /nfs/dbraw/zinc/21/25/11/199212511.db2.gz SKFOFRQXOYWAGG-UHFFFAOYSA-N 1 2 262.300 0.988 20 30 CCEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220514 358557144 /nfs/dbraw/zinc/55/71/44/358557144.db2.gz PSPUYRFAMOIDNK-NHYWBVRUSA-N 1 2 289.383 0.800 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000573491618 358972610 /nfs/dbraw/zinc/97/26/10/358972610.db2.gz ZHQPGMUUTVPFFX-UHFFFAOYSA-N 1 2 284.323 0.311 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000573491618 358972616 /nfs/dbraw/zinc/97/26/16/358972616.db2.gz ZHQPGMUUTVPFFX-UHFFFAOYSA-N 1 2 284.323 0.311 20 30 CCEDLO N#Cc1cnn2c1NC[C@@H](C[NH+]1CC(O)(C(F)F)C1)C2 ZINC000574040195 359022701 /nfs/dbraw/zinc/02/27/01/359022701.db2.gz AMOSKZTUIJQWNM-QMMMGPOBSA-N 1 2 283.282 0.108 20 30 CCEDLO C=CCCCC[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000574128775 359030625 /nfs/dbraw/zinc/03/06/25/359030625.db2.gz DOMPOTFTYVDMAV-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCCC[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000574128775 359030630 /nfs/dbraw/zinc/03/06/30/359030630.db2.gz DOMPOTFTYVDMAV-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(CC(N)=O)c1 ZINC000580316797 359081877 /nfs/dbraw/zinc/08/18/77/359081877.db2.gz BMQRLVFIGGTTJG-ZDUSSCGKSA-N 1 2 291.351 0.300 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(CC(N)=O)c1 ZINC000580316797 359081879 /nfs/dbraw/zinc/08/18/79/359081879.db2.gz BMQRLVFIGGTTJG-ZDUSSCGKSA-N 1 2 291.351 0.300 20 30 CCEDLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000579849767 359055370 /nfs/dbraw/zinc/05/53/70/359055370.db2.gz ASCONWRRRVGZIU-UHFFFAOYSA-N 1 2 294.380 0.276 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000586779355 359288900 /nfs/dbraw/zinc/28/89/00/359288900.db2.gz KIXMXWNDCOLACT-JHJVBQTASA-N 1 2 268.357 0.509 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000586779355 359288905 /nfs/dbraw/zinc/28/89/05/359288905.db2.gz KIXMXWNDCOLACT-JHJVBQTASA-N 1 2 268.357 0.509 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000587036339 359297941 /nfs/dbraw/zinc/29/79/41/359297941.db2.gz VWLRWSHGUHVJBF-LBPRGKRZSA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000587877737 359301650 /nfs/dbraw/zinc/30/16/50/359301650.db2.gz DUZUHCFQGQNDAI-NSHDSACASA-N 1 2 261.329 0.211 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000587877737 359301654 /nfs/dbraw/zinc/30/16/54/359301654.db2.gz DUZUHCFQGQNDAI-NSHDSACASA-N 1 2 261.329 0.211 20 30 CCEDLO C[C@H](NC(=O)c1cc(O)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589190840 359367270 /nfs/dbraw/zinc/36/72/70/359367270.db2.gz DIKDDPHYWACBEW-HZMBPMFUSA-N 1 2 289.335 0.713 20 30 CCEDLO C[C@H](NC(=O)c1cc(O)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589190840 359367272 /nfs/dbraw/zinc/36/72/72/359367272.db2.gz DIKDDPHYWACBEW-HZMBPMFUSA-N 1 2 289.335 0.713 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCCCC#N ZINC000588660311 359328549 /nfs/dbraw/zinc/32/85/49/359328549.db2.gz AHEJDYFXMLQDKQ-CQSZACIVSA-N 1 2 297.399 0.612 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000588767897 359336288 /nfs/dbraw/zinc/33/62/88/359336288.db2.gz MPQZCHDGHXBXDX-SNVBAGLBSA-N 1 2 259.313 0.613 20 30 CCEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000588767897 359336292 /nfs/dbraw/zinc/33/62/92/359336292.db2.gz MPQZCHDGHXBXDX-SNVBAGLBSA-N 1 2 259.313 0.613 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590152844 359426614 /nfs/dbraw/zinc/42/66/14/359426614.db2.gz SPTUHUICCQZRHM-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590152844 359426617 /nfs/dbraw/zinc/42/66/17/359426617.db2.gz SPTUHUICCQZRHM-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO CC[C@@H](C(=O)N1CC(C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000590485335 359473941 /nfs/dbraw/zinc/47/39/41/359473941.db2.gz ZAGJHONDFMHROY-STQMWFEESA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@@H](C(=O)N1CC(C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000590485335 359473945 /nfs/dbraw/zinc/47/39/45/359473945.db2.gz ZAGJHONDFMHROY-STQMWFEESA-N 1 2 265.357 0.858 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599780 359496077 /nfs/dbraw/zinc/49/60/77/359496077.db2.gz PEFBPTRMHLCYPB-CQSZACIVSA-N 1 2 275.356 0.753 20 30 CCEDLO C=C[C@H]([NH2+]C[C@@H]1CC(=O)N(CCC)C1)C(=O)OC ZINC000591495694 359598151 /nfs/dbraw/zinc/59/81/51/359598151.db2.gz LNCRDYOIVNGHCZ-QWRGUYRKSA-N 1 2 254.330 0.562 20 30 CCEDLO Cc1cc(N2CCC[C@@H](S(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591817832 359661326 /nfs/dbraw/zinc/66/13/26/359661326.db2.gz RQBSHCQRMLQATQ-LLVKDONJSA-N 1 2 280.353 0.519 20 30 CCEDLO Cc1cc(NCCCN(C)S(C)(=O)=O)c(C#N)c[nH+]1 ZINC000591817829 359661943 /nfs/dbraw/zinc/66/19/43/359661943.db2.gz PREZSNFWSVJCFZ-UHFFFAOYSA-N 1 2 282.369 0.377 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccncc3C#N)CCN2C1=O ZINC000592071753 359746095 /nfs/dbraw/zinc/74/60/95/359746095.db2.gz PHWAWEUQKFSBBE-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccncc3C#N)CCN2C1=O ZINC000592071753 359746101 /nfs/dbraw/zinc/74/61/01/359746101.db2.gz PHWAWEUQKFSBBE-ZDUSSCGKSA-N 1 2 299.334 0.422 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)CCC1 ZINC000592131439 359761358 /nfs/dbraw/zinc/76/13/58/359761358.db2.gz YAQPJEBAJCDKAM-NSHDSACASA-N 1 2 298.337 0.574 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CCC1 ZINC000592131439 359761362 /nfs/dbraw/zinc/76/13/62/359761362.db2.gz YAQPJEBAJCDKAM-NSHDSACASA-N 1 2 298.337 0.574 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592150889 359769488 /nfs/dbraw/zinc/76/94/88/359769488.db2.gz JEASHGAVXXZFTH-INIZCTEOSA-N 1 2 298.346 0.525 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592150889 359769494 /nfs/dbraw/zinc/76/94/94/359769494.db2.gz JEASHGAVXXZFTH-INIZCTEOSA-N 1 2 298.346 0.525 20 30 CCEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000593000269 360011978 /nfs/dbraw/zinc/01/19/78/360011978.db2.gz KKEDWOWHMRMDAA-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cnn2ccccc12 ZINC000593153459 360048404 /nfs/dbraw/zinc/04/84/04/360048404.db2.gz RYQWQISKGMYVEW-OAHLLOKOSA-N 1 2 285.351 0.837 20 30 CCEDLO CCOc1cnc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000593154780 360048515 /nfs/dbraw/zinc/04/85/15/360048515.db2.gz BVDKUCKHECMEPB-ZDUSSCGKSA-N 1 2 277.328 0.449 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593520504 360106285 /nfs/dbraw/zinc/10/62/85/360106285.db2.gz PKDKUWMEDSIGNX-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)nn1 ZINC000594016500 360235961 /nfs/dbraw/zinc/23/59/61/360235961.db2.gz YKVFPAGILSUQQR-ZDUSSCGKSA-N 1 2 261.329 0.705 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)nn1 ZINC000594016500 360235964 /nfs/dbraw/zinc/23/59/64/360235964.db2.gz YKVFPAGILSUQQR-ZDUSSCGKSA-N 1 2 261.329 0.705 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108026 360247950 /nfs/dbraw/zinc/24/79/50/360247950.db2.gz PAZBOJXYLDMRFG-UTUOFQBUSA-N 1 2 285.413 0.857 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108026 360247955 /nfs/dbraw/zinc/24/79/55/360247955.db2.gz PAZBOJXYLDMRFG-UTUOFQBUSA-N 1 2 285.413 0.857 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCCC#N ZINC000594235209 360261312 /nfs/dbraw/zinc/26/13/12/360261312.db2.gz STQBWVPTUVJXOY-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000611398931 363713525 /nfs/dbraw/zinc/71/35/25/363713525.db2.gz CHPFHYDIPULBNV-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO N#CC1(CN2CC[NH+](CC(=O)NC3CC3)CC2)CC1 ZINC000611428991 363717137 /nfs/dbraw/zinc/71/71/37/363717137.db2.gz UHAFQAWHUHHPDG-UHFFFAOYSA-N 1 2 262.357 0.186 20 30 CCEDLO N#CC[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000594685214 360359488 /nfs/dbraw/zinc/35/94/88/360359488.db2.gz FPNXKPSZKLDKMC-CYBMUJFWSA-N 1 2 280.372 0.654 20 30 CCEDLO C[C@@H](CO)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901888 360412596 /nfs/dbraw/zinc/41/25/96/360412596.db2.gz PIAZSTLGJVRNCW-GFCCVEGCSA-N 1 2 291.351 0.181 20 30 CCEDLO CS(=O)(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595285429 360480926 /nfs/dbraw/zinc/48/09/26/360480926.db2.gz YBJZQLFMMHPBNP-UHFFFAOYSA-N 1 2 293.392 0.678 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cn(C)c[nH+]1 ZINC000595337880 360500216 /nfs/dbraw/zinc/50/02/16/360500216.db2.gz CHHXANVYZOMWOX-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@H]1CN(CC[NH+]2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000595391666 360516656 /nfs/dbraw/zinc/51/66/56/360516656.db2.gz MIVSTLFQBCVXSZ-GJZGRUSLSA-N 1 2 280.416 0.627 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000595501988 360552861 /nfs/dbraw/zinc/55/28/61/360552861.db2.gz OQTUEYCLZLHHJP-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cn1 ZINC000595512156 360556588 /nfs/dbraw/zinc/55/65/88/360556588.db2.gz NRSKBOXAXPHONL-UHFFFAOYSA-N 1 2 287.367 0.705 20 30 CCEDLO Cn1nnnc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765233 360645756 /nfs/dbraw/zinc/64/57/56/360645756.db2.gz PWPNICWIWBMKPV-UHFFFAOYSA-N 1 2 298.350 0.877 20 30 CCEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708783 360626777 /nfs/dbraw/zinc/62/67/77/360626777.db2.gz AVLIOPVMACKAPV-WDEREUQCSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708783 360626780 /nfs/dbraw/zinc/62/67/80/360626780.db2.gz AVLIOPVMACKAPV-WDEREUQCSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752401 360639782 /nfs/dbraw/zinc/63/97/82/360639782.db2.gz LDDFHGVALIAXMI-IJLUTSLNSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752401 360639791 /nfs/dbraw/zinc/63/97/91/360639791.db2.gz LDDFHGVALIAXMI-IJLUTSLNSA-N 1 2 271.386 0.644 20 30 CCEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000179043879 189164894 /nfs/dbraw/zinc/16/48/94/189164894.db2.gz RCSRIWDPVDFQOD-CQSZACIVSA-N 1 2 285.351 0.680 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000596550994 360919980 /nfs/dbraw/zinc/91/99/80/360919980.db2.gz YBBFJBKYZTYDBJ-NEPJUHHUSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000596550994 360919984 /nfs/dbraw/zinc/91/99/84/360919984.db2.gz YBBFJBKYZTYDBJ-NEPJUHHUSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCCCC#N)[C@@H](C)CO1 ZINC000596555744 360920818 /nfs/dbraw/zinc/92/08/18/360920818.db2.gz UCWHFMGODPRCBC-RYUDHWBXSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCCC#N)[C@@H](C)CO1 ZINC000596555744 360920825 /nfs/dbraw/zinc/92/08/25/360920825.db2.gz UCWHFMGODPRCBC-RYUDHWBXSA-N 1 2 268.361 0.699 20 30 CCEDLO N#CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000597627359 361166712 /nfs/dbraw/zinc/16/67/12/361166712.db2.gz YUMBARFOIWZYFF-LBPRGKRZSA-N 1 2 250.346 0.186 20 30 CCEDLO N#CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000597627359 361166715 /nfs/dbraw/zinc/16/67/15/361166715.db2.gz YUMBARFOIWZYFF-LBPRGKRZSA-N 1 2 250.346 0.186 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000597623861 361165514 /nfs/dbraw/zinc/16/55/14/361165514.db2.gz CQPIZGPGEAOLFY-MRXNPFEDSA-N 1 2 298.390 0.607 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000597623861 361165515 /nfs/dbraw/zinc/16/55/15/361165515.db2.gz CQPIZGPGEAOLFY-MRXNPFEDSA-N 1 2 298.390 0.607 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)CO ZINC000597741552 361223621 /nfs/dbraw/zinc/22/36/21/361223621.db2.gz OFROIUJXGSSWLB-JTQLQIEISA-N 1 2 258.281 0.345 20 30 CCEDLO CN(C)[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)c1c[nH+]cn1C ZINC000598419380 361409953 /nfs/dbraw/zinc/40/99/53/361409953.db2.gz ZQMOUHXDLHPBGV-OCCSQVGLSA-N 1 2 275.356 0.785 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000598702700 361491372 /nfs/dbraw/zinc/49/13/72/361491372.db2.gz XXSQOXZAQAESJE-LBPRGKRZSA-N 1 2 265.357 0.498 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000598596546 361453461 /nfs/dbraw/zinc/45/34/61/361453461.db2.gz SPZXHIVADSMPQA-LBPRGKRZSA-N 1 2 265.357 0.594 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000598596546 361453465 /nfs/dbraw/zinc/45/34/65/361453465.db2.gz SPZXHIVADSMPQA-LBPRGKRZSA-N 1 2 265.357 0.594 20 30 CCEDLO COC(=O)C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598593358 361453978 /nfs/dbraw/zinc/45/39/78/361453978.db2.gz RLDBJEMMDLNLCO-NSHDSACASA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598593358 361453982 /nfs/dbraw/zinc/45/39/82/361453982.db2.gz RLDBJEMMDLNLCO-NSHDSACASA-N 1 2 254.330 0.925 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598604856 361456036 /nfs/dbraw/zinc/45/60/36/361456036.db2.gz AREGJUOFWSFNAX-MNOVXSKESA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598604856 361456042 /nfs/dbraw/zinc/45/60/42/361456042.db2.gz AREGJUOFWSFNAX-MNOVXSKESA-N 1 2 253.346 0.450 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cscn1 ZINC000598836424 361523721 /nfs/dbraw/zinc/52/37/21/361523721.db2.gz ISFJNPGHTMLSFI-NSHDSACASA-N 1 2 252.343 0.646 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000599047930 361560732 /nfs/dbraw/zinc/56/07/32/361560732.db2.gz DTCPIULITPMFMT-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000599047930 361560734 /nfs/dbraw/zinc/56/07/34/361560734.db2.gz DTCPIULITPMFMT-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO Cc1cc(C#N)nc(NC2CC([NH+]3CCOCC3)C2)n1 ZINC000599093895 361572197 /nfs/dbraw/zinc/57/21/97/361572197.db2.gz AZBMTEZSIWMLED-UHFFFAOYSA-N 1 2 273.340 0.932 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000599193548 361607854 /nfs/dbraw/zinc/60/78/54/361607854.db2.gz LJASFYZJDBSYQP-WCQYABFASA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000599193548 361607858 /nfs/dbraw/zinc/60/78/58/361607858.db2.gz LJASFYZJDBSYQP-WCQYABFASA-N 1 2 266.345 0.262 20 30 CCEDLO Cc1cc(N2CCN(c3nccnn3)CC2)c(C#N)c[nH+]1 ZINC000599119128 361579398 /nfs/dbraw/zinc/57/93/98/361579398.db2.gz XXUONDMANRZANG-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1C#N ZINC000599342647 361662718 /nfs/dbraw/zinc/66/27/18/361662718.db2.gz KFIALIQPTHRQBU-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439385 361703961 /nfs/dbraw/zinc/70/39/61/361703961.db2.gz QIEVTPGYAPLJKX-LBPRGKRZSA-N 1 2 264.329 0.255 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000612007679 363828542 /nfs/dbraw/zinc/82/85/42/363828542.db2.gz FMLFELFZQHFYTD-INIZCTEOSA-N 1 2 290.363 0.973 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000612013538 363829637 /nfs/dbraw/zinc/82/96/37/363829637.db2.gz PEFQAWZIYMZZKK-AWEZNQCLSA-N 1 2 276.336 0.583 20 30 CCEDLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164144 363859183 /nfs/dbraw/zinc/85/91/83/363859183.db2.gz AGZHZJPGPFTXJS-NSHDSACASA-N 1 2 259.375 0.551 20 30 CCEDLO CNS(=O)(=O)CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164144 363859187 /nfs/dbraw/zinc/85/91/87/363859187.db2.gz AGZHZJPGPFTXJS-NSHDSACASA-N 1 2 259.375 0.551 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613252450 364181237 /nfs/dbraw/zinc/18/12/37/364181237.db2.gz GKJJZVBMKYEEJU-GHMZBOCLSA-N 1 2 263.341 0.815 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613252450 364181242 /nfs/dbraw/zinc/18/12/42/364181242.db2.gz GKJJZVBMKYEEJU-GHMZBOCLSA-N 1 2 263.341 0.815 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613676072 364337465 /nfs/dbraw/zinc/33/74/65/364337465.db2.gz WMWFEUCKIQPDKU-CHWSQXEVSA-N 1 2 290.367 0.785 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccn1 ZINC000613584633 364304398 /nfs/dbraw/zinc/30/43/98/364304398.db2.gz CWDPGZNCEJJBJU-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccn1 ZINC000613584633 364304403 /nfs/dbraw/zinc/30/44/03/364304403.db2.gz CWDPGZNCEJJBJU-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c(C#N)cn1 ZINC000564877171 291310142 /nfs/dbraw/zinc/31/01/42/291310142.db2.gz YGAUBPRBNNAXRJ-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c(C#N)cn1 ZINC000564877171 291310145 /nfs/dbraw/zinc/31/01/45/291310145.db2.gz YGAUBPRBNNAXRJ-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000614419317 364599172 /nfs/dbraw/zinc/59/91/72/364599172.db2.gz OOKRRBMQHVMFKB-KGLIPLIRSA-N 1 2 296.334 0.623 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000614419317 364599175 /nfs/dbraw/zinc/59/91/75/364599175.db2.gz OOKRRBMQHVMFKB-KGLIPLIRSA-N 1 2 296.334 0.623 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614467777 364620588 /nfs/dbraw/zinc/62/05/88/364620588.db2.gz BURXZVWFJSAWQL-AWEZNQCLSA-N 1 2 294.355 0.609 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615557231 365006621 /nfs/dbraw/zinc/00/66/21/365006621.db2.gz HOQAYCLNNZQOIC-TZMCWYRMSA-N 1 2 268.357 0.247 20 30 CCEDLO N#C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCSC1 ZINC000615742246 365072357 /nfs/dbraw/zinc/07/23/57/365072357.db2.gz QRBPBBQRSBAYHI-ZWNOBZJWSA-N 1 2 276.365 0.961 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615768996 365084161 /nfs/dbraw/zinc/08/41/61/365084161.db2.gz HRJJCGZTALYKDM-ZWNOBZJWSA-N 1 2 262.313 0.490 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616862041 365462928 /nfs/dbraw/zinc/46/29/28/365462928.db2.gz YKSYXHAZNDEQSG-ZJUUUORDSA-N 1 2 267.329 0.143 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623990681 367717489 /nfs/dbraw/zinc/71/74/89/367717489.db2.gz JPBLLFDLDBOANK-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623990681 367717496 /nfs/dbraw/zinc/71/74/96/367717496.db2.gz JPBLLFDLDBOANK-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO COCC#CCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625499905 368224682 /nfs/dbraw/zinc/22/46/82/368224682.db2.gz NUZUOUTYGGDNNE-HNNXBMFYSA-N 1 2 285.351 0.741 20 30 CCEDLO C=CCCCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632227039 370931057 /nfs/dbraw/zinc/93/10/57/370931057.db2.gz NAWMSDIOLZMZJD-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632227039 370931059 /nfs/dbraw/zinc/93/10/59/370931059.db2.gz NAWMSDIOLZMZJD-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632288053 370963966 /nfs/dbraw/zinc/96/39/66/370963966.db2.gz DYEBEVBCFMHSGD-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632288053 370963972 /nfs/dbraw/zinc/96/39/72/370963972.db2.gz DYEBEVBCFMHSGD-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(OC(F)F)c1 ZINC000331311301 203706685 /nfs/dbraw/zinc/70/66/85/203706685.db2.gz ZOMUFYJVICYTAJ-QWRGUYRKSA-N 1 2 284.262 0.697 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329223905 227363632 /nfs/dbraw/zinc/36/36/32/227363632.db2.gz YTSCWEPVJAKEJU-LLVKDONJSA-N 1 2 280.376 0.475 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329223905 227363637 /nfs/dbraw/zinc/36/36/37/227363637.db2.gz YTSCWEPVJAKEJU-LLVKDONJSA-N 1 2 280.376 0.475 20 30 CCEDLO C=CC[N@H+](Cc1ccc(=O)[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000637962566 374510100 /nfs/dbraw/zinc/51/01/00/374510100.db2.gz NLVRABHOEODQGC-GFCCVEGCSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@@H+](Cc1ccc(=O)[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000637962566 374510110 /nfs/dbraw/zinc/51/01/10/374510110.db2.gz NLVRABHOEODQGC-GFCCVEGCSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000639532117 375825301 /nfs/dbraw/zinc/82/53/01/375825301.db2.gz RYSAYOSXOYCUBC-NWDGAFQWSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000639532117 375825303 /nfs/dbraw/zinc/82/53/03/375825303.db2.gz RYSAYOSXOYCUBC-NWDGAFQWSA-N 1 2 296.396 0.441 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC2CCCCC2)nn1 ZINC000640766369 376526656 /nfs/dbraw/zinc/52/66/56/376526656.db2.gz BFRBEPQHFBFQNO-UHFFFAOYSA-N 1 2 289.383 0.840 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)CC)nn1 ZINC000640791158 376539687 /nfs/dbraw/zinc/53/96/87/376539687.db2.gz VBSYJDXMLQGMQM-NSHDSACASA-N 1 2 263.345 0.306 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)C2CC2)nn1 ZINC000640993330 376650737 /nfs/dbraw/zinc/65/07/37/376650737.db2.gz QJLAFVDQBMCROM-UHFFFAOYSA-N 1 2 261.329 0.012 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(CC)s2)nn1 ZINC000641157591 376821263 /nfs/dbraw/zinc/82/12/63/376821263.db2.gz WHWIAPBZUWVLPI-UHFFFAOYSA-N 1 2 276.369 0.853 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](OC)[C@@H]2CCOC2)nn1 ZINC000641182568 376855906 /nfs/dbraw/zinc/85/59/06/376855906.db2.gz ADWWWIHBCITRQQ-OCCSQVGLSA-N 1 2 278.356 0.443 20 30 CCEDLO C=CCC[C@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641526930 377224177 /nfs/dbraw/zinc/22/41/77/377224177.db2.gz YTDAHSHZWIPZFG-LLVKDONJSA-N 1 2 273.358 0.130 20 30 CCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762609 249083310 /nfs/dbraw/zinc/08/33/10/249083310.db2.gz HZKPUUXZVWKTFQ-SNAWJCMRSA-N 1 2 299.338 0.521 20 30 CCEDLO Cc1cc(C#N)nc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286347255 291676815 /nfs/dbraw/zinc/67/68/15/291676815.db2.gz MHUZINUXCVHCOY-OCCSQVGLSA-N 1 2 287.367 0.956 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)NCC)nn1 ZINC000657292020 412952147 /nfs/dbraw/zinc/95/21/47/412952147.db2.gz BUJBXAOTHBQBTO-JTQLQIEISA-N 1 2 251.334 0.468 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183360602 388753219 /nfs/dbraw/zinc/75/32/19/388753219.db2.gz MLUOJDBJYYHEGO-CYBMUJFWSA-N 1 2 277.299 0.919 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183360602 388753222 /nfs/dbraw/zinc/75/32/22/388753222.db2.gz MLUOJDBJYYHEGO-CYBMUJFWSA-N 1 2 277.299 0.919 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185218738 388793557 /nfs/dbraw/zinc/79/35/57/388793557.db2.gz JJCROUYXKCCNSA-HNNXBMFYSA-N 1 2 280.368 0.678 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185218738 388793563 /nfs/dbraw/zinc/79/35/63/388793563.db2.gz JJCROUYXKCCNSA-HNNXBMFYSA-N 1 2 280.368 0.678 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000283664888 388768094 /nfs/dbraw/zinc/76/80/94/388768094.db2.gz DLFYGKGMHSTEEC-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283928419 388770698 /nfs/dbraw/zinc/77/06/98/388770698.db2.gz GRAKTCOVRPQZHG-NXEZZACHSA-N 1 2 280.328 0.233 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000284543805 388779269 /nfs/dbraw/zinc/77/92/69/388779269.db2.gz GCUNTRSAGKFJQG-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000284543805 388779273 /nfs/dbraw/zinc/77/92/73/388779273.db2.gz GCUNTRSAGKFJQG-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186337716 388832391 /nfs/dbraw/zinc/83/23/91/388832391.db2.gz GCMKJCFVCNXUAZ-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000186337716 388832394 /nfs/dbraw/zinc/83/23/94/388832394.db2.gz GCMKJCFVCNXUAZ-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000050274506 388926487 /nfs/dbraw/zinc/92/64/87/388926487.db2.gz HNIPKTJGNZOVGZ-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000050274506 388926491 /nfs/dbraw/zinc/92/64/91/388926491.db2.gz HNIPKTJGNZOVGZ-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C#C)c1 ZINC000053207010 388929489 /nfs/dbraw/zinc/92/94/89/388929489.db2.gz AUNJPKDUZMNMEI-CYBMUJFWSA-N 1 2 297.358 0.676 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#C)c1 ZINC000053207010 388929493 /nfs/dbraw/zinc/92/94/93/388929493.db2.gz AUNJPKDUZMNMEI-CYBMUJFWSA-N 1 2 297.358 0.676 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCNC(=O)CC2)CCCCC1 ZINC000054258272 388930627 /nfs/dbraw/zinc/93/06/27/388930627.db2.gz QYBQHLPNHLKQQZ-UHFFFAOYSA-N 1 2 278.356 0.151 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCNC(=O)CC2)CCCCC1 ZINC000054258272 388930631 /nfs/dbraw/zinc/93/06/31/388930631.db2.gz QYBQHLPNHLKQQZ-UHFFFAOYSA-N 1 2 278.356 0.151 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000061799510 388937234 /nfs/dbraw/zinc/93/72/34/388937234.db2.gz HURRZPJBIDWFTE-UHFFFAOYSA-N 1 2 267.373 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000061799510 388937239 /nfs/dbraw/zinc/93/72/39/388937239.db2.gz HURRZPJBIDWFTE-UHFFFAOYSA-N 1 2 267.373 0.643 20 30 CCEDLO CCOC(=O)C[N@@H+](CC(=O)NCC#N)CC(C)C ZINC000066496837 388945339 /nfs/dbraw/zinc/94/53/39/388945339.db2.gz HSDNZGZOPMRBAM-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO CCOC(=O)C[N@H+](CC(=O)NCC#N)CC(C)C ZINC000066496837 388945340 /nfs/dbraw/zinc/94/53/40/388945340.db2.gz HSDNZGZOPMRBAM-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000293354487 388981935 /nfs/dbraw/zinc/98/19/35/388981935.db2.gz ZMVIYONTRGHJMC-LLVKDONJSA-N 1 2 265.357 0.067 20 30 CCEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000293354487 388981939 /nfs/dbraw/zinc/98/19/39/388981939.db2.gz ZMVIYONTRGHJMC-LLVKDONJSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000192225579 389030042 /nfs/dbraw/zinc/03/00/42/389030042.db2.gz MSTFSAKALZUFOU-UHFFFAOYSA-N 1 2 264.300 0.886 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000192225579 389030046 /nfs/dbraw/zinc/03/00/46/389030046.db2.gz MSTFSAKALZUFOU-UHFFFAOYSA-N 1 2 264.300 0.886 20 30 CCEDLO COCC[N@H+](CC#Cc1ccccc1)[C@H](C)C(N)=O ZINC000192011957 389022999 /nfs/dbraw/zinc/02/29/99/389022999.db2.gz DNMNFIHSPBJZEG-CYBMUJFWSA-N 1 2 260.337 0.860 20 30 CCEDLO COCC[N@@H+](CC#Cc1ccccc1)[C@H](C)C(N)=O ZINC000192011957 389023004 /nfs/dbraw/zinc/02/30/04/389023004.db2.gz DNMNFIHSPBJZEG-CYBMUJFWSA-N 1 2 260.337 0.860 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192633965 389046590 /nfs/dbraw/zinc/04/65/90/389046590.db2.gz LCJYUIOQRFCFHM-HNNXBMFYSA-N 1 2 284.319 0.732 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226354 389057281 /nfs/dbraw/zinc/05/72/81/389057281.db2.gz PDXGNPISHTVVOY-QWHCGFSZSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226354 389057284 /nfs/dbraw/zinc/05/72/84/389057284.db2.gz PDXGNPISHTVVOY-QWHCGFSZSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2ccnn2CC)C1=O ZINC000337250912 389058429 /nfs/dbraw/zinc/05/84/29/389058429.db2.gz QVMWXXAYXSSJHB-CQSZACIVSA-N 1 2 292.383 0.484 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2ccnn2CC)C1=O ZINC000337250912 389058431 /nfs/dbraw/zinc/05/84/31/389058431.db2.gz QVMWXXAYXSSJHB-CQSZACIVSA-N 1 2 292.383 0.484 20 30 CCEDLO CCOC(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000302430266 389070899 /nfs/dbraw/zinc/07/08/99/389070899.db2.gz SDYGFJXMYJZTLM-LLVKDONJSA-N 1 2 255.318 0.689 20 30 CCEDLO CC(C)(C(=O)NCCCCC#N)[NH+]1CCOCC1 ZINC000338171527 389083306 /nfs/dbraw/zinc/08/33/06/389083306.db2.gz NAVYSFMUWWMMSU-UHFFFAOYSA-N 1 2 253.346 0.907 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355132635 389043974 /nfs/dbraw/zinc/04/39/74/389043974.db2.gz LYKRIVMCJJCQQH-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO Cc1cc(NCC#CCO)nc(-c2ccncc2)[nH+]1 ZINC000339970339 389144854 /nfs/dbraw/zinc/14/48/54/389144854.db2.gz QQSPRLLCYPMVOU-UHFFFAOYSA-N 1 2 254.293 0.677 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000328951616 389147297 /nfs/dbraw/zinc/14/72/97/389147297.db2.gz CPVGYIOOPVFGRA-GFCCVEGCSA-N 1 2 285.388 0.637 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000328951616 389147302 /nfs/dbraw/zinc/14/73/02/389147302.db2.gz CPVGYIOOPVFGRA-GFCCVEGCSA-N 1 2 285.388 0.637 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000355637596 389106444 /nfs/dbraw/zinc/10/64/44/389106444.db2.gz UKAJHLHCALSSDA-JTQLQIEISA-N 1 2 250.327 0.810 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000355637596 389106447 /nfs/dbraw/zinc/10/64/47/389106447.db2.gz UKAJHLHCALSSDA-JTQLQIEISA-N 1 2 250.327 0.810 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000312077084 389107651 /nfs/dbraw/zinc/10/76/51/389107651.db2.gz QUDNPSKLDFFCEP-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000312077084 389107653 /nfs/dbraw/zinc/10/76/53/389107653.db2.gz QUDNPSKLDFFCEP-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)[NH+]1C ZINC000312642269 389108877 /nfs/dbraw/zinc/10/88/77/389108877.db2.gz ILFOKJDOVXFFQC-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO COC(=O)c1ccccc1CO[NH+]=C(N)CCO ZINC000121379808 389147955 /nfs/dbraw/zinc/14/79/55/389147955.db2.gz QXTGXZHTINJWKD-UHFFFAOYSA-N 1 2 252.270 0.644 20 30 CCEDLO C=CCOCCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000339011135 389121862 /nfs/dbraw/zinc/12/18/62/389121862.db2.gz CDBYQLDYTJSHCV-UHFFFAOYSA-N 1 2 255.362 0.071 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000339048042 389123044 /nfs/dbraw/zinc/12/30/44/389123044.db2.gz TWKRQRXXNKAHPM-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000339048042 389123047 /nfs/dbraw/zinc/12/30/47/389123047.db2.gz TWKRQRXXNKAHPM-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000356355600 389123451 /nfs/dbraw/zinc/12/34/51/389123451.db2.gz LUMLQXORUYLMHQ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000356355600 389123454 /nfs/dbraw/zinc/12/34/54/389123454.db2.gz LUMLQXORUYLMHQ-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO N#CCCOCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000339098360 389125235 /nfs/dbraw/zinc/12/52/35/389125235.db2.gz XYIRXQLYMIBIMT-GFCCVEGCSA-N 1 2 252.314 0.597 20 30 CCEDLO N#CCCOCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000339098360 389125237 /nfs/dbraw/zinc/12/52/37/389125237.db2.gz XYIRXQLYMIBIMT-GFCCVEGCSA-N 1 2 252.314 0.597 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)OCC ZINC000339493488 389134077 /nfs/dbraw/zinc/13/40/77/389134077.db2.gz HRYOEBKTZAYZEN-ZIAGYGMSSA-N 1 2 281.400 0.474 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617234 389136038 /nfs/dbraw/zinc/13/60/38/389136038.db2.gz QYVSCHFZPWOSMD-FRRDWIJNSA-N 1 2 266.389 0.771 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617234 389136040 /nfs/dbraw/zinc/13/60/40/389136040.db2.gz QYVSCHFZPWOSMD-FRRDWIJNSA-N 1 2 266.389 0.771 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328771777 389137269 /nfs/dbraw/zinc/13/72/69/389137269.db2.gz GYIMMVPNOZNYAK-QWRGUYRKSA-N 1 2 251.330 0.824 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1=O ZINC000328771777 389137271 /nfs/dbraw/zinc/13/72/71/389137271.db2.gz GYIMMVPNOZNYAK-QWRGUYRKSA-N 1 2 251.330 0.824 20 30 CCEDLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 ZINC000328811584 389138911 /nfs/dbraw/zinc/13/89/11/389138911.db2.gz MUSKJJSJJJZSNC-ZJUUUORDSA-N 1 2 292.426 0.567 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 ZINC000328811584 389138915 /nfs/dbraw/zinc/13/89/15/389138915.db2.gz MUSKJJSJJJZSNC-ZJUUUORDSA-N 1 2 292.426 0.567 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)C#N ZINC000357888134 389139386 /nfs/dbraw/zinc/13/93/86/389139386.db2.gz KXLWNBLFLHIPBO-UHFFFAOYSA-N 1 2 276.296 0.695 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000328818901 389139979 /nfs/dbraw/zinc/13/99/79/389139979.db2.gz HFRKFVBBVGKAGT-SECBINFHSA-N 1 2 250.302 0.540 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1cnnn1)CCC2 ZINC000328831330 389140359 /nfs/dbraw/zinc/14/03/59/389140359.db2.gz RHIVVZZEGKSVTE-JTQLQIEISA-N 1 2 275.316 0.712 20 30 CCEDLO CCC(=O)N1CC[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1 ZINC000329665984 389184813 /nfs/dbraw/zinc/18/48/13/389184813.db2.gz QCZAJMGIBSXWGV-LLVKDONJSA-N 1 2 291.355 0.624 20 30 CCEDLO CCC(=O)N1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329665984 389184816 /nfs/dbraw/zinc/18/48/16/389184816.db2.gz QCZAJMGIBSXWGV-LLVKDONJSA-N 1 2 291.355 0.624 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cncnc3)C[C@@H]21 ZINC000329853217 389205660 /nfs/dbraw/zinc/20/56/60/389205660.db2.gz VHKKDZAGMWFKQS-QWRGUYRKSA-N 1 2 263.301 0.037 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cncnc3)C[C@@H]21 ZINC000329853217 389205664 /nfs/dbraw/zinc/20/56/64/389205664.db2.gz VHKKDZAGMWFKQS-QWRGUYRKSA-N 1 2 263.301 0.037 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329764669 389198005 /nfs/dbraw/zinc/19/80/05/389198005.db2.gz VYZJWHUURYWPDC-SECBINFHSA-N 1 2 267.333 0.952 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329764669 389198007 /nfs/dbraw/zinc/19/80/07/389198007.db2.gz VYZJWHUURYWPDC-SECBINFHSA-N 1 2 267.333 0.952 20 30 CCEDLO C=CCOC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000360743007 389202919 /nfs/dbraw/zinc/20/29/19/389202919.db2.gz BSUNTLRNZAEJCG-JTQLQIEISA-N 1 2 267.285 0.192 20 30 CCEDLO O=C(NCC1(O)CCOCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329323667 389156910 /nfs/dbraw/zinc/15/69/10/389156910.db2.gz HOIZLWLULXVREK-UHFFFAOYSA-N 1 2 298.383 0.739 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC(C)(C)C#N ZINC000358642797 389157328 /nfs/dbraw/zinc/15/73/28/389157328.db2.gz XJPVHDZXABWBQQ-UHFFFAOYSA-N 1 2 268.361 0.510 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCOCC3(CC3)C2)C1 ZINC000329332014 389157550 /nfs/dbraw/zinc/15/75/50/389157550.db2.gz MSRCSQSEMQNTML-LBPRGKRZSA-N 1 2 283.372 0.343 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCOCC3(CC3)C2)C1 ZINC000329332014 389157553 /nfs/dbraw/zinc/15/75/53/389157553.db2.gz MSRCSQSEMQNTML-LBPRGKRZSA-N 1 2 283.372 0.343 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000358809220 389160689 /nfs/dbraw/zinc/16/06/89/389160689.db2.gz MXPPTRCYDYXOTN-NSHDSACASA-N 1 2 260.297 0.680 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000358979883 389163993 /nfs/dbraw/zinc/16/39/93/389163993.db2.gz PLSSBLHTIIALIY-OLZOCXBDSA-N 1 2 281.404 0.423 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)C1([NH+]2CCOCC2)CCC1 ZINC000329447091 389164284 /nfs/dbraw/zinc/16/42/84/389164284.db2.gz LIIAZRFTZDEDHT-GFCCVEGCSA-N 1 2 284.356 0.613 20 30 CCEDLO Cc1cc(CNC(=O)N2CCn3cc[nH+]c3C2)n(C)n1 ZINC000329511183 389167951 /nfs/dbraw/zinc/16/79/51/389167951.db2.gz MYYPIIHVBXTPFC-UHFFFAOYSA-N 1 2 274.328 0.855 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000359226981 389168743 /nfs/dbraw/zinc/16/87/43/389168743.db2.gz JOVWLPJDFFKJIU-VXGBXAGGSA-N 1 2 278.356 0.915 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@H]3CCOC3)C[C@@H]21 ZINC000329613519 389176625 /nfs/dbraw/zinc/17/66/25/389176625.db2.gz OXDPNCXFZBEDFD-RWMBFGLXSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@H]3CCOC3)C[C@@H]21 ZINC000329613519 389176626 /nfs/dbraw/zinc/17/66/26/389176626.db2.gz OXDPNCXFZBEDFD-RWMBFGLXSA-N 1 2 283.372 0.342 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000329619797 389177365 /nfs/dbraw/zinc/17/73/65/389177365.db2.gz QZYPRNNXSXJJTC-ZJUUUORDSA-N 1 2 252.318 0.991 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000330589307 389244331 /nfs/dbraw/zinc/24/43/31/389244331.db2.gz WOHYPGYKJRWXFF-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000330589307 389244332 /nfs/dbraw/zinc/24/43/32/389244332.db2.gz WOHYPGYKJRWXFF-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000330603713 389245609 /nfs/dbraw/zinc/24/56/09/389245609.db2.gz GDHNMXGLFYDFKF-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000330603713 389245611 /nfs/dbraw/zinc/24/56/11/389245611.db2.gz GDHNMXGLFYDFKF-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc(=O)[nH]1 ZINC000329892947 389209727 /nfs/dbraw/zinc/20/97/27/389209727.db2.gz AOBKHIMKQYQKBG-QMMMGPOBSA-N 1 2 271.342 0.874 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccncc3)C[C@H]21 ZINC000329930293 389212250 /nfs/dbraw/zinc/21/22/50/389212250.db2.gz ZOEUGYHBZLWCOR-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccncc3)C[C@H]21 ZINC000329930293 389212253 /nfs/dbraw/zinc/21/22/53/389212253.db2.gz ZOEUGYHBZLWCOR-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO Cc1nc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1C#N ZINC000329993831 389215861 /nfs/dbraw/zinc/21/58/61/389215861.db2.gz YSIKYQQSSZOXTP-ZIAGYGMSSA-N 1 2 286.335 0.417 20 30 CCEDLO Cc1nc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1C#N ZINC000329993831 389215864 /nfs/dbraw/zinc/21/58/64/389215864.db2.gz YSIKYQQSSZOXTP-ZIAGYGMSSA-N 1 2 286.335 0.417 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330461058 389231818 /nfs/dbraw/zinc/23/18/18/389231818.db2.gz WGRNTRHGAPDRRJ-UKRRQHHQSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330461058 389231822 /nfs/dbraw/zinc/23/18/22/389231822.db2.gz WGRNTRHGAPDRRJ-UKRRQHHQSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(C)cn1 ZINC000330467949 389233091 /nfs/dbraw/zinc/23/30/91/389233091.db2.gz AQPVAPTVIVFGAV-SNVBAGLBSA-N 1 2 252.318 0.445 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(C)cn1 ZINC000330467949 389233093 /nfs/dbraw/zinc/23/30/93/389233093.db2.gz AQPVAPTVIVFGAV-SNVBAGLBSA-N 1 2 252.318 0.445 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000133269214 389233547 /nfs/dbraw/zinc/23/35/47/389233547.db2.gz DTCSXGBYZJJZKL-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000133269214 389233550 /nfs/dbraw/zinc/23/35/50/389233550.db2.gz DTCSXGBYZJJZKL-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO COCCN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330473142 389233861 /nfs/dbraw/zinc/23/38/61/389233861.db2.gz ZKGIBXGFROOXGQ-NSHDSACASA-N 1 2 259.350 0.199 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCOC1 ZINC000330548178 389240235 /nfs/dbraw/zinc/24/02/35/389240235.db2.gz AUWRJJHHAFBUCS-JTQLQIEISA-N 1 2 252.318 0.850 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000264400123 389325766 /nfs/dbraw/zinc/32/57/66/389325766.db2.gz OVIDCPDHRZKYIF-LBPRGKRZSA-N 1 2 283.372 0.009 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000264400123 389325769 /nfs/dbraw/zinc/32/57/69/389325769.db2.gz OVIDCPDHRZKYIF-LBPRGKRZSA-N 1 2 283.372 0.009 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1C#N ZINC000264445833 389328857 /nfs/dbraw/zinc/32/88/57/389328857.db2.gz GXIYQFYRTYIGFB-UHFFFAOYSA-N 1 2 291.311 0.630 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456400 389329182 /nfs/dbraw/zinc/32/91/82/389329182.db2.gz OMAWYBHBLAVOTG-ZIAGYGMSSA-N 1 2 291.395 0.882 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456400 389329183 /nfs/dbraw/zinc/32/91/83/389329183.db2.gz OMAWYBHBLAVOTG-ZIAGYGMSSA-N 1 2 291.395 0.882 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000331006978 389280621 /nfs/dbraw/zinc/28/06/21/389280621.db2.gz ZYEXPURMMDROIE-JTQLQIEISA-N 1 2 264.329 0.870 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000331006978 389280623 /nfs/dbraw/zinc/28/06/23/389280623.db2.gz ZYEXPURMMDROIE-JTQLQIEISA-N 1 2 264.329 0.870 20 30 CCEDLO C[C@@H](C(=O)N[C@H](C#N)C1CC1)[NH+]1CCSCC1 ZINC000152391079 389290283 /nfs/dbraw/zinc/29/02/83/389290283.db2.gz BCWVKGKJOUDRMD-GXSJLCMTSA-N 1 2 253.371 0.842 20 30 CCEDLO N#CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000153498222 389302619 /nfs/dbraw/zinc/30/26/19/389302619.db2.gz UIOQFMVFABJRJU-AWEZNQCLSA-N 1 2 273.336 0.917 20 30 CCEDLO N#CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000153498222 389302622 /nfs/dbraw/zinc/30/26/22/389302622.db2.gz UIOQFMVFABJRJU-AWEZNQCLSA-N 1 2 273.336 0.917 20 30 CCEDLO CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264074020 389304567 /nfs/dbraw/zinc/30/45/67/389304567.db2.gz GUYBNQYMVILVMY-GFCCVEGCSA-N 1 2 264.377 0.272 20 30 CCEDLO C#CCNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159783951 389373778 /nfs/dbraw/zinc/37/37/78/389373778.db2.gz WCPXBAVHUFWQKC-NSHDSACASA-N 1 2 256.371 0.190 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2c(C#N)cccc2C#N)CC1 ZINC000368912469 389387887 /nfs/dbraw/zinc/38/78/87/389387887.db2.gz DDWMZMBEZHOTAC-UHFFFAOYSA-N 1 2 297.362 0.688 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2c(C#N)cccc2C#N)CC1 ZINC000368912469 389387895 /nfs/dbraw/zinc/38/78/95/389387895.db2.gz DDWMZMBEZHOTAC-UHFFFAOYSA-N 1 2 297.362 0.688 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348096016 389365231 /nfs/dbraw/zinc/36/52/31/389365231.db2.gz NYSNUDKGMALUFH-YUMQZZPRSA-N 1 2 281.316 0.429 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)C(C)(C)C#N)[NH+]1CCOCC1 ZINC000170886820 389467515 /nfs/dbraw/zinc/46/75/15/389467515.db2.gz USILVECOUOMTOO-WDEREUQCSA-N 1 2 253.346 0.762 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000269624990 389424153 /nfs/dbraw/zinc/42/41/53/389424153.db2.gz USBPVLZJMGJKPV-AWEZNQCLSA-N 1 2 285.307 0.926 20 30 CCEDLO C=CCNC(=O)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271936071 389449482 /nfs/dbraw/zinc/44/94/82/389449482.db2.gz AIIUYCZWMWEYDB-UHFFFAOYSA-N 1 2 291.355 0.601 20 30 CCEDLO Cn1ncc2c1nc(NCC(C)(C)CC#N)[nH+]c2N ZINC000413406251 389505943 /nfs/dbraw/zinc/50/59/43/389505943.db2.gz KCCVMDZFMBULGG-UHFFFAOYSA-N 1 2 259.317 0.719 20 30 CCEDLO N#Cc1csc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000350394679 389508052 /nfs/dbraw/zinc/50/80/52/389508052.db2.gz RSHADJMGINWRJF-UHFFFAOYSA-N 1 2 262.294 0.996 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330317433 285340811 /nfs/dbraw/zinc/34/08/11/285340811.db2.gz QKSFRACKPKUEMO-NWDGAFQWSA-N 1 2 278.356 0.875 20 30 CCEDLO C#C[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)C(C)C ZINC000281467439 389617365 /nfs/dbraw/zinc/61/73/65/389617365.db2.gz HVWHRFYTUKQBRR-SNVBAGLBSA-N 1 2 275.308 0.803 20 30 CCEDLO C=CCn1cc(CNc2cc(NC[C@H](C)O)[nH+]cn2)nn1 ZINC000425263208 389644249 /nfs/dbraw/zinc/64/42/49/389644249.db2.gz KFAOJDPGAOZDKT-JTQLQIEISA-N 1 2 289.343 0.081 20 30 CCEDLO C=CCn1cc(CNc2cc(NC[C@H](C)O)nc[nH+]2)nn1 ZINC000425263208 389644254 /nfs/dbraw/zinc/64/42/54/389644254.db2.gz KFAOJDPGAOZDKT-JTQLQIEISA-N 1 2 289.343 0.081 20 30 CCEDLO COC(=O)[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)C(C)C ZINC000351522470 389604222 /nfs/dbraw/zinc/60/42/22/389604222.db2.gz YHYQMKUYDGPAMD-CQSZACIVSA-N 1 2 295.383 0.926 20 30 CCEDLO COC(=O)[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)C(C)C ZINC000351522470 389604226 /nfs/dbraw/zinc/60/42/26/389604226.db2.gz YHYQMKUYDGPAMD-CQSZACIVSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000182474706 389709234 /nfs/dbraw/zinc/70/92/34/389709234.db2.gz XIPVQWOSTCXIRY-OAHLLOKOSA-N 1 2 288.347 0.645 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000182474706 389709238 /nfs/dbraw/zinc/70/92/38/389709238.db2.gz XIPVQWOSTCXIRY-OAHLLOKOSA-N 1 2 288.347 0.645 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1OCCO1 ZINC000182453910 389709329 /nfs/dbraw/zinc/70/93/29/389709329.db2.gz MLCYFPMZMSCPKR-NSHDSACASA-N 1 2 289.339 0.232 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1OCCO1 ZINC000182453910 389709331 /nfs/dbraw/zinc/70/93/31/389709331.db2.gz MLCYFPMZMSCPKR-NSHDSACASA-N 1 2 289.339 0.232 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506725 389658087 /nfs/dbraw/zinc/65/80/87/389658087.db2.gz CWXMCBWUYGDRSN-NSHDSACASA-N 1 2 288.355 0.501 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506725 389658090 /nfs/dbraw/zinc/65/80/90/389658090.db2.gz CWXMCBWUYGDRSN-NSHDSACASA-N 1 2 288.355 0.501 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccco2)C1=O ZINC000282138915 389658458 /nfs/dbraw/zinc/65/84/58/389658458.db2.gz ZJPWMOQMLYFTMF-ZDUSSCGKSA-N 1 2 291.351 0.615 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccco2)C1=O ZINC000282138915 389658462 /nfs/dbraw/zinc/65/84/62/389658462.db2.gz ZJPWMOQMLYFTMF-ZDUSSCGKSA-N 1 2 291.351 0.615 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000426856335 389679224 /nfs/dbraw/zinc/67/92/24/389679224.db2.gz AYFXMYJDRCMUOV-JHJVBQTASA-N 1 2 270.373 0.539 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000426856335 389679225 /nfs/dbraw/zinc/67/92/25/389679225.db2.gz AYFXMYJDRCMUOV-JHJVBQTASA-N 1 2 270.373 0.539 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000351821039 389690959 /nfs/dbraw/zinc/69/09/59/389690959.db2.gz QHZMLEPALMBENQ-SMDDNHRTSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000351821039 389690962 /nfs/dbraw/zinc/69/09/62/389690962.db2.gz QHZMLEPALMBENQ-SMDDNHRTSA-N 1 2 294.376 0.645 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1O ZINC000395409440 389777407 /nfs/dbraw/zinc/77/74/07/389777407.db2.gz FZLRFRNKANRKNB-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1O ZINC000395409440 389777411 /nfs/dbraw/zinc/77/74/11/389777411.db2.gz FZLRFRNKANRKNB-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376369190 389734341 /nfs/dbraw/zinc/73/43/41/389734341.db2.gz PNSVQFFNQLHQMF-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000416375427 389737630 /nfs/dbraw/zinc/73/76/30/389737630.db2.gz VZBXJSYGVGOVON-UHFFFAOYSA-N 1 2 290.385 0.073 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352442660 389811421 /nfs/dbraw/zinc/81/14/21/389811421.db2.gz VFXQRRVGMLRYBQ-VIFPVBQESA-N 1 2 270.308 0.548 20 30 CCEDLO CCOCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352463987 389815070 /nfs/dbraw/zinc/81/50/70/389815070.db2.gz NFNGXSMDVVIJAC-UHFFFAOYSA-N 1 2 257.309 0.467 20 30 CCEDLO C=CCOCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433102927 389898650 /nfs/dbraw/zinc/89/86/50/389898650.db2.gz JZAIIXNDNZPDBK-LBPRGKRZSA-N 1 2 278.356 0.818 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433309318 389908271 /nfs/dbraw/zinc/90/82/71/389908271.db2.gz YQORVUMPGLGSOJ-UHFFFAOYSA-N 1 2 283.372 0.927 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433309318 389908272 /nfs/dbraw/zinc/90/82/72/389908272.db2.gz YQORVUMPGLGSOJ-UHFFFAOYSA-N 1 2 283.372 0.927 20 30 CCEDLO C[N@H+](CC(=O)NC1CCOCC1)CC(C)(C)C#N ZINC000433298802 389908283 /nfs/dbraw/zinc/90/82/83/389908283.db2.gz AOSJQWLEBMRPAL-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+](CC(=O)NC1CCOCC1)CC(C)(C)C#N ZINC000433298802 389908284 /nfs/dbraw/zinc/90/82/84/389908284.db2.gz AOSJQWLEBMRPAL-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444724959 389915812 /nfs/dbraw/zinc/91/58/12/389915812.db2.gz LRJXIJGYRGXJSQ-WPRPVWTQSA-N 1 2 279.262 0.261 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444724959 389915814 /nfs/dbraw/zinc/91/58/14/389915814.db2.gz LRJXIJGYRGXJSQ-WPRPVWTQSA-N 1 2 279.262 0.261 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950907 390040049 /nfs/dbraw/zinc/04/00/49/390040049.db2.gz XPGXJWCCPDSBSK-VXGBXAGGSA-N 1 2 283.372 0.219 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950907 390040051 /nfs/dbraw/zinc/04/00/51/390040051.db2.gz XPGXJWCCPDSBSK-VXGBXAGGSA-N 1 2 283.372 0.219 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH+]1CCOCC1 ZINC000437646388 389995729 /nfs/dbraw/zinc/99/57/29/389995729.db2.gz OKZGFHHDUFYZRR-AWEZNQCLSA-N 1 2 270.373 0.664 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440046724 390030524 /nfs/dbraw/zinc/03/05/24/390030524.db2.gz YWKNRVYWHFNYRF-UHFFFAOYSA-N 1 2 297.355 0.775 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000584422576 390344578 /nfs/dbraw/zinc/34/45/78/390344578.db2.gz JRXJGKOVNWUUSZ-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000584422576 390344581 /nfs/dbraw/zinc/34/45/81/390344581.db2.gz JRXJGKOVNWUUSZ-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000562591140 390490523 /nfs/dbraw/zinc/49/05/23/390490523.db2.gz QLWVZTNRQXBACH-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000562591140 390490528 /nfs/dbraw/zinc/49/05/28/390490528.db2.gz QLWVZTNRQXBACH-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000562591142 390490649 /nfs/dbraw/zinc/49/06/49/390490649.db2.gz QLWVZTNRQXBACH-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000562591142 390490652 /nfs/dbraw/zinc/49/06/52/390490652.db2.gz QLWVZTNRQXBACH-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1nnc(C2CC2)s1 ZINC000563706208 390493352 /nfs/dbraw/zinc/49/33/52/390493352.db2.gz GQWSWPLLKOWXQF-LLVKDONJSA-N 1 2 295.412 0.711 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1nnc(C2CC2)s1 ZINC000563706208 390493355 /nfs/dbraw/zinc/49/33/55/390493355.db2.gz GQWSWPLLKOWXQF-LLVKDONJSA-N 1 2 295.412 0.711 20 30 CCEDLO CC(C)n1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000565050410 390499463 /nfs/dbraw/zinc/49/94/63/390499463.db2.gz BYIBWLVPQDIIOA-GFCCVEGCSA-N 1 2 264.333 0.433 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000649184971 390514480 /nfs/dbraw/zinc/51/44/80/390514480.db2.gz UWMAYMGLYXXBLM-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(N)=O ZINC000505487720 390463641 /nfs/dbraw/zinc/46/36/41/390463641.db2.gz PYSMLXCQTUGRKP-MQYJIDSJSA-N 1 2 294.399 0.723 20 30 CCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC000505487720 390463644 /nfs/dbraw/zinc/46/36/44/390463644.db2.gz PYSMLXCQTUGRKP-MQYJIDSJSA-N 1 2 294.399 0.723 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000555882357 390468994 /nfs/dbraw/zinc/46/89/94/390468994.db2.gz HGHVENUAKNECEU-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000555882357 390468995 /nfs/dbraw/zinc/46/89/95/390468995.db2.gz HGHVENUAKNECEU-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO Cn1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C(F)F ZINC000516476226 390482250 /nfs/dbraw/zinc/48/22/50/390482250.db2.gz PBWVZIOGCCCDII-LBPRGKRZSA-N 1 2 285.298 0.931 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCNC(=O)CC2)nn1 ZINC000643770346 390539254 /nfs/dbraw/zinc/53/92/54/390539254.db2.gz OOTQBWCBLGUTGZ-LBPRGKRZSA-N 1 2 275.356 0.307 20 30 CCEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCC#CCO)C(F)(F)F ZINC000566458584 390613326 /nfs/dbraw/zinc/61/33/26/390613326.db2.gz QNGQUAUGLRIZKJ-SECBINFHSA-N 1 2 289.257 0.568 20 30 CCEDLO Cc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1C ZINC000567903078 390711557 /nfs/dbraw/zinc/71/15/57/390711557.db2.gz HQUWVSJFAFSWBT-CQSZACIVSA-N 1 2 275.356 0.976 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000570875326 390722916 /nfs/dbraw/zinc/72/29/16/390722916.db2.gz GIXQTFZTRJEIKW-UHFFFAOYSA-N 1 2 285.355 0.646 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000570875326 390722918 /nfs/dbraw/zinc/72/29/18/390722918.db2.gz GIXQTFZTRJEIKW-UHFFFAOYSA-N 1 2 285.355 0.646 20 30 CCEDLO CC[C@@H]1CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000567052781 390668545 /nfs/dbraw/zinc/66/85/45/390668545.db2.gz JKSKVGWKZQBJPZ-MDZLAQPJSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000567052784 390668552 /nfs/dbraw/zinc/66/85/52/390668552.db2.gz JKSKVGWKZQBJPZ-WZRBSPASSA-N 1 2 253.346 0.904 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000567505331 390701928 /nfs/dbraw/zinc/70/19/28/390701928.db2.gz VJCNBHMOACTVAH-LBPRGKRZSA-N 1 2 277.280 0.660 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000567505331 390701930 /nfs/dbraw/zinc/70/19/30/390701930.db2.gz VJCNBHMOACTVAH-LBPRGKRZSA-N 1 2 277.280 0.660 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC000528830599 390780472 /nfs/dbraw/zinc/78/04/72/390780472.db2.gz CHVJQEVUSSPIGQ-IHRRRGAJSA-N 1 2 274.320 0.771 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC000528830599 390780475 /nfs/dbraw/zinc/78/04/75/390780475.db2.gz CHVJQEVUSSPIGQ-IHRRRGAJSA-N 1 2 274.320 0.771 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000571595298 390743691 /nfs/dbraw/zinc/74/36/91/390743691.db2.gz CUABZPSWIWMUQL-CYBMUJFWSA-N 1 2 285.351 0.354 20 30 CCEDLO Cc1c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000578511724 390888885 /nfs/dbraw/zinc/88/88/85/390888885.db2.gz CPNOCZDIEDLVCY-CYBMUJFWSA-N 1 2 263.345 0.231 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452080960 533270896 /nfs/dbraw/zinc/27/08/96/533270896.db2.gz HWTBKSQGYAXLQD-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452080960 533270900 /nfs/dbraw/zinc/27/09/00/533270900.db2.gz HWTBKSQGYAXLQD-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000448905588 533600516 /nfs/dbraw/zinc/60/05/16/533600516.db2.gz BUBNAGRGCXMCCU-JTQLQIEISA-N 1 2 276.340 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000448905588 533600521 /nfs/dbraw/zinc/60/05/21/533600521.db2.gz BUBNAGRGCXMCCU-JTQLQIEISA-N 1 2 276.340 0.645 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267403554 131866681 /nfs/dbraw/zinc/86/66/81/131866681.db2.gz PWPUZCJMKYFHGA-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]c[nH]1 ZINC000091936683 135074559 /nfs/dbraw/zinc/07/45/59/135074559.db2.gz RSQZPKADGDACEW-LLVKDONJSA-N 1 2 283.339 0.782 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH]c[nH+]1 ZINC000091936683 135074561 /nfs/dbraw/zinc/07/45/61/135074561.db2.gz RSQZPKADGDACEW-LLVKDONJSA-N 1 2 283.339 0.782 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)C1=O ZINC000649913763 397682865 /nfs/dbraw/zinc/68/28/65/397682865.db2.gz VMYRSJFKGICLMY-YNEHKIRRSA-N 1 2 280.368 0.652 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)C1=O ZINC000649913763 397682867 /nfs/dbraw/zinc/68/28/67/397682867.db2.gz VMYRSJFKGICLMY-YNEHKIRRSA-N 1 2 280.368 0.652 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000548317798 286026501 /nfs/dbraw/zinc/02/65/01/286026501.db2.gz LNPLLQXQKPMBHS-GFCCVEGCSA-N 1 2 296.334 0.115 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000548311583 286025502 /nfs/dbraw/zinc/02/55/02/286025502.db2.gz GOATWVBUAALOCZ-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575127503 335069921 /nfs/dbraw/zinc/06/99/21/335069921.db2.gz KGARJGIDVLOBCA-IAQYHMDHSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000659330505 413418921 /nfs/dbraw/zinc/41/89/21/413418921.db2.gz XNXSVUUORRHXNY-STQMWFEESA-N 1 2 279.384 0.669 20 30 CCEDLO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC#N)CC1 ZINC000344129016 411763556 /nfs/dbraw/zinc/76/35/56/411763556.db2.gz XIQQSWPMXVXCAI-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC#N)CC1 ZINC000344129016 411763560 /nfs/dbraw/zinc/76/35/60/411763560.db2.gz XIQQSWPMXVXCAI-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285226484 196227134 /nfs/dbraw/zinc/22/71/34/196227134.db2.gz XURGFCMBAHHECD-CYBMUJFWSA-N 1 2 279.727 0.634 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285226484 196227135 /nfs/dbraw/zinc/22/71/35/196227135.db2.gz XURGFCMBAHHECD-CYBMUJFWSA-N 1 2 279.727 0.634 20 30 CCEDLO C=CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660708291 414455279 /nfs/dbraw/zinc/45/52/79/414455279.db2.gz WVVHWOVDGUDGCC-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2cc(OC)ncn2)no1 ZINC000662168814 414695239 /nfs/dbraw/zinc/69/52/39/414695239.db2.gz WAKKTRHCHZWEKO-MRVPVSSYSA-N 1 2 277.284 0.172 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H](C)COC ZINC000663990456 415196008 /nfs/dbraw/zinc/19/60/08/415196008.db2.gz ICTRACFQVYMALR-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H](C)COC ZINC000663990456 415196011 /nfs/dbraw/zinc/19/60/11/415196011.db2.gz ICTRACFQVYMALR-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)[C@H](C)CC ZINC000078604715 177359318 /nfs/dbraw/zinc/35/93/18/177359318.db2.gz BMMTXRZHPXJQQI-GFCCVEGCSA-N 1 2 267.373 0.691 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000331494692 228108052 /nfs/dbraw/zinc/10/80/52/228108052.db2.gz RMJHRQLGJSDMMD-CYBMUJFWSA-N 1 2 292.383 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000331494692 228108054 /nfs/dbraw/zinc/10/80/54/228108054.db2.gz RMJHRQLGJSDMMD-CYBMUJFWSA-N 1 2 292.383 0.303 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330280161 228091156 /nfs/dbraw/zinc/09/11/56/228091156.db2.gz SBMXNXZNICVDEH-SCZZXKLOSA-N 1 2 295.343 0.322 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330280161 228091157 /nfs/dbraw/zinc/09/11/57/228091157.db2.gz SBMXNXZNICVDEH-SCZZXKLOSA-N 1 2 295.343 0.322 20 30 CCEDLO Cn1c2ccc(C[NH+]3CCN(CC#N)CC3)cc2oc1=O ZINC000332629836 228164227 /nfs/dbraw/zinc/16/42/27/228164227.db2.gz OSFXCZYDRZWVJM-UHFFFAOYSA-N 1 2 286.335 0.773 20 30 CCEDLO C#CCN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000491048225 420310466 /nfs/dbraw/zinc/31/04/66/420310466.db2.gz XOHJZERASVYXGL-UHFFFAOYSA-N 1 2 291.355 0.312 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(C)COC1 ZINC000329295552 545021632 /nfs/dbraw/zinc/02/16/32/545021632.db2.gz SLIYZGDMWBMUMW-UHFFFAOYSA-N 1 2 271.361 0.201 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000354280132 260115592 /nfs/dbraw/zinc/11/55/92/260115592.db2.gz DUUSJRSLGJRDBY-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@H](C(=O)N1CCOC[C@H]1C#N)[NH+]1CCSCC1 ZINC000408032597 260186687 /nfs/dbraw/zinc/18/66/87/260186687.db2.gz ZILHWZKZHCWZNW-GHMZBOCLSA-N 1 2 269.370 0.175 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000408110375 260236276 /nfs/dbraw/zinc/23/62/76/260236276.db2.gz OXSJTWPWODYATL-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000408110375 260236277 /nfs/dbraw/zinc/23/62/77/260236277.db2.gz OXSJTWPWODYATL-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000408110047 260235774 /nfs/dbraw/zinc/23/57/74/260235774.db2.gz KLDLXOLGEVYCEE-LLVKDONJSA-N 1 2 271.386 0.551 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000408110047 260235775 /nfs/dbraw/zinc/23/57/75/260235775.db2.gz KLDLXOLGEVYCEE-LLVKDONJSA-N 1 2 271.386 0.551 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000129801965 260390704 /nfs/dbraw/zinc/39/07/04/260390704.db2.gz MGDJFEVADLWPQH-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000129801965 260390705 /nfs/dbraw/zinc/39/07/05/260390705.db2.gz MGDJFEVADLWPQH-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2CCOC)C1=O ZINC000361518149 261312540 /nfs/dbraw/zinc/31/25/40/261312540.db2.gz FXRIHQUWZHZMRL-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2CCOC)C1=O ZINC000361518149 261312542 /nfs/dbraw/zinc/31/25/42/261312542.db2.gz FXRIHQUWZHZMRL-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC000363893540 262013046 /nfs/dbraw/zinc/01/30/46/262013046.db2.gz ZLDSKURDJZULBP-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC000363893540 262013047 /nfs/dbraw/zinc/01/30/47/262013047.db2.gz ZLDSKURDJZULBP-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000526058249 262083380 /nfs/dbraw/zinc/08/33/80/262083380.db2.gz BADLHBNCECUBBJ-WFASDCNBSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000526058249 262083382 /nfs/dbraw/zinc/08/33/82/262083382.db2.gz BADLHBNCECUBBJ-WFASDCNBSA-N 1 2 293.367 0.429 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)C(C)C)C1=O ZINC000337203148 262434000 /nfs/dbraw/zinc/43/40/00/262434000.db2.gz GBVIGHVFHWKJCC-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)C(C)C)C1=O ZINC000337203148 262434001 /nfs/dbraw/zinc/43/40/01/262434001.db2.gz GBVIGHVFHWKJCC-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2nnnn2C2CC2)c1 ZINC000266211333 262915280 /nfs/dbraw/zinc/91/52/80/262915280.db2.gz OCGZQCGWCYOACN-UHFFFAOYSA-N 1 2 288.311 0.854 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000267747379 262941271 /nfs/dbraw/zinc/94/12/71/262941271.db2.gz MNNVMEZLPGJANU-UHFFFAOYSA-N 1 2 295.339 0.485 20 30 CCEDLO CN1CCN(S(=O)(=O)CC2(C#N)CC2)c2ccc[nH+]c21 ZINC000274225754 263022164 /nfs/dbraw/zinc/02/21/64/263022164.db2.gz OWTQUMWBONIJBG-UHFFFAOYSA-N 1 2 292.364 0.971 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000281824890 263072060 /nfs/dbraw/zinc/07/20/60/263072060.db2.gz UOQFYLCKXLBVTI-LBPRGKRZSA-N 1 2 299.400 0.541 20 30 CCEDLO CO/N=C/C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000282909645 263079594 /nfs/dbraw/zinc/07/95/94/263079594.db2.gz HSYFJETUBXXNOC-GZTJUZNOSA-N 1 2 291.351 0.767 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000283089626 263081134 /nfs/dbraw/zinc/08/11/34/263081134.db2.gz WKEBHFRXEJSHPU-QWRGUYRKSA-N 1 2 285.373 0.340 20 30 CCEDLO CO/N=C/C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000283111109 263081393 /nfs/dbraw/zinc/08/13/93/263081393.db2.gz XZMVDZFAQPVOJH-HGLKBHAMSA-N 1 2 297.380 0.870 20 30 CCEDLO CNC(=O)c1ccn([C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000284652812 263087756 /nfs/dbraw/zinc/08/77/56/263087756.db2.gz XATSRBDYTXMQGJ-NSHDSACASA-N 1 2 261.329 0.793 20 30 CCEDLO CNC(=O)c1ccn([C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000284652812 263087757 /nfs/dbraw/zinc/08/77/57/263087757.db2.gz XATSRBDYTXMQGJ-NSHDSACASA-N 1 2 261.329 0.793 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227165 263098172 /nfs/dbraw/zinc/09/81/72/263098172.db2.gz ZFFCKZHFJMMIRF-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227165 263098173 /nfs/dbraw/zinc/09/81/73/263098173.db2.gz ZFFCKZHFJMMIRF-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2cnn(C)n2)cc1OC ZINC000289373043 263109799 /nfs/dbraw/zinc/10/97/99/263109799.db2.gz KJPODUXEKJHKFV-UHFFFAOYSA-N 1 2 291.311 0.669 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2cnnn2C)c1 ZINC000289466781 263110391 /nfs/dbraw/zinc/11/03/91/263110391.db2.gz WMDHNVXFXCYEIJ-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)CCCC#N)CCN1C ZINC000293124324 263138081 /nfs/dbraw/zinc/13/80/81/263138081.db2.gz DLWXTJKZXNKKQK-LBPRGKRZSA-N 1 2 275.356 0.929 20 30 CCEDLO Cc1nsc(N2CC[NH+](CCOCCC#N)CC2)n1 ZINC000293900752 263151916 /nfs/dbraw/zinc/15/19/16/263151916.db2.gz VZHVDWSSFZWKGE-UHFFFAOYSA-N 1 2 281.385 0.899 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)CSCC#N ZINC000294634035 263164779 /nfs/dbraw/zinc/16/47/79/263164779.db2.gz PLLLQFDMAQNUED-UHFFFAOYSA-N 1 2 251.311 0.963 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCCCn1cc[nH+]c1 ZINC000340744859 263304131 /nfs/dbraw/zinc/30/41/31/263304131.db2.gz PETOHFOYDDXOGM-GFCCVEGCSA-N 1 2 266.345 0.757 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000340761612 263304978 /nfs/dbraw/zinc/30/49/78/263304978.db2.gz QKYKIEXGUIMUOG-LLVKDONJSA-N 1 2 252.318 0.367 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000328672030 263837094 /nfs/dbraw/zinc/83/70/94/263837094.db2.gz HTWXYKJAJQUKTE-UHFFFAOYSA-N 1 2 291.311 0.072 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1csnn1 ZINC000330627470 263999357 /nfs/dbraw/zinc/99/93/57/263999357.db2.gz XIMUTTBLAWQVIA-QMMMGPOBSA-N 1 2 256.331 0.563 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1csnn1 ZINC000330627470 263999354 /nfs/dbraw/zinc/99/93/54/263999354.db2.gz XIMUTTBLAWQVIA-QMMMGPOBSA-N 1 2 256.331 0.563 20 30 CCEDLO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)C(=O)N(C)C ZINC000330782043 264052788 /nfs/dbraw/zinc/05/27/88/264052788.db2.gz PAXQWTTUIBPUHT-NSHDSACASA-N 1 2 280.372 0.205 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000330957877 264088415 /nfs/dbraw/zinc/08/84/15/264088415.db2.gz WGYOSYCITPYPPG-NXEZZACHSA-N 1 2 292.343 0.011 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000330957877 264088418 /nfs/dbraw/zinc/08/84/18/264088418.db2.gz WGYOSYCITPYPPG-NXEZZACHSA-N 1 2 292.343 0.011 20 30 CCEDLO CC(C)(CNC(=O)N1CC[C@H](CCO)C1)[NH+]1CCOCC1 ZINC000330933080 264096783 /nfs/dbraw/zinc/09/67/83/264096783.db2.gz BOSRSUQAMNLQKP-CYBMUJFWSA-N 1 2 299.415 0.716 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000330985308 264103662 /nfs/dbraw/zinc/10/36/62/264103662.db2.gz LCJRDRLQEIHUIV-UHFFFAOYSA-N 1 2 250.302 0.482 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000330985308 264103663 /nfs/dbraw/zinc/10/36/63/264103663.db2.gz LCJRDRLQEIHUIV-UHFFFAOYSA-N 1 2 250.302 0.482 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000331146462 264137943 /nfs/dbraw/zinc/13/79/43/264137943.db2.gz GQIMCFSWTZNCPX-UHFFFAOYSA-N 1 2 282.392 0.941 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000331146462 264137944 /nfs/dbraw/zinc/13/79/44/264137944.db2.gz GQIMCFSWTZNCPX-UHFFFAOYSA-N 1 2 282.392 0.941 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000053431146 264204261 /nfs/dbraw/zinc/20/42/61/264204261.db2.gz ZRIMOOHDSBQJLX-UHFFFAOYSA-N 1 2 252.362 0.386 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242507 264395119 /nfs/dbraw/zinc/39/51/19/264395119.db2.gz NWTMZZBALYWKEB-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242507 264395121 /nfs/dbraw/zinc/39/51/21/264395121.db2.gz NWTMZZBALYWKEB-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC)CC1 ZINC000283824687 264528634 /nfs/dbraw/zinc/52/86/34/264528634.db2.gz FLENGHHJIABGEU-UHFFFAOYSA-N 1 2 299.382 0.454 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000356834234 266184564 /nfs/dbraw/zinc/18/45/64/266184564.db2.gz KSCUXAMORIOMFP-YPMHNXCESA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000356834234 266184568 /nfs/dbraw/zinc/18/45/68/266184568.db2.gz KSCUXAMORIOMFP-YPMHNXCESA-N 1 2 268.357 0.293 20 30 CCEDLO COC(=O)C[N@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000356981067 266224903 /nfs/dbraw/zinc/22/49/03/266224903.db2.gz FVBVRUDBYRBCHY-UHFFFAOYSA-N 1 2 267.329 0.386 20 30 CCEDLO COC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000356981067 266224906 /nfs/dbraw/zinc/22/49/06/266224906.db2.gz FVBVRUDBYRBCHY-UHFFFAOYSA-N 1 2 267.329 0.386 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000357602543 266334147 /nfs/dbraw/zinc/33/41/47/266334147.db2.gz MTIJMFNXVWOYMI-JTQLQIEISA-N 1 2 266.370 0.989 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000357602543 266334151 /nfs/dbraw/zinc/33/41/51/266334151.db2.gz MTIJMFNXVWOYMI-JTQLQIEISA-N 1 2 266.370 0.989 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000368827966 267207589 /nfs/dbraw/zinc/20/75/89/267207589.db2.gz BYQLHNGIVQYIDY-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000368827966 267207590 /nfs/dbraw/zinc/20/75/90/267207590.db2.gz BYQLHNGIVQYIDY-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO C=CCNC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369362093 267237600 /nfs/dbraw/zinc/23/76/00/267237600.db2.gz JXMVLZMHACVYBR-UHFFFAOYSA-N 1 2 262.357 0.953 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000369536808 267248724 /nfs/dbraw/zinc/24/87/24/267248724.db2.gz LCPNFFFGUZJMFS-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000369536808 267248727 /nfs/dbraw/zinc/24/87/27/267248727.db2.gz LCPNFFFGUZJMFS-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO Cc1cc(NCCNc2ncncc2C#N)nc(C(C)C)[nH+]1 ZINC000528154212 267949739 /nfs/dbraw/zinc/94/97/39/267949739.db2.gz FEPDSBZWCIWIBV-UHFFFAOYSA-N 1 2 297.366 0.938 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000366912764 280101697 /nfs/dbraw/zinc/10/16/97/280101697.db2.gz SGVSFVFLHZNFAM-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000366912764 280101700 /nfs/dbraw/zinc/10/17/00/280101700.db2.gz SGVSFVFLHZNFAM-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCCOCC1 ZINC000329743002 295387501 /nfs/dbraw/zinc/38/75/01/295387501.db2.gz PULWEZQILMAKKA-JTQLQIEISA-N 1 2 264.329 0.903 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCCOCC1 ZINC000329743002 295387503 /nfs/dbraw/zinc/38/75/03/295387503.db2.gz PULWEZQILMAKKA-JTQLQIEISA-N 1 2 264.329 0.903 20 30 CCEDLO C[C@@H]1COCC[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329622249 297141186 /nfs/dbraw/zinc/14/11/86/297141186.db2.gz RSURTIUTVSGXOT-FVCCEPFGSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@@H]1COCC[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329622249 297141189 /nfs/dbraw/zinc/14/11/89/297141189.db2.gz RSURTIUTVSGXOT-FVCCEPFGSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H]1C[NH+](CCn2cnc(C#N)c2C#N)C[C@H](C)O1 ZINC000313803371 327948676 /nfs/dbraw/zinc/94/86/76/327948676.db2.gz QLUCTLTXIXDLDJ-QWRGUYRKSA-N 1 2 259.313 0.736 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC000339167810 328000585 /nfs/dbraw/zinc/00/05/85/328000585.db2.gz LMQUGAYLCKYTSD-NSHDSACASA-N 1 2 251.330 0.654 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000571169407 328090393 /nfs/dbraw/zinc/09/03/93/328090393.db2.gz JXERMEHIDSHAMR-HNCHTBHHSA-N 1 2 251.330 0.514 20 30 CCEDLO CCOc1ccc(O)c(/C=[NH+]/CCN2CCNC(=O)C2)c1 ZINC000272664969 328200489 /nfs/dbraw/zinc/20/04/89/328200489.db2.gz UJNQPOYAGAMZHY-MHWRWJLKSA-N 1 2 291.351 0.642 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000272857114 328201178 /nfs/dbraw/zinc/20/11/78/328201178.db2.gz LKKIXENWTNZIKO-CQSZACIVSA-N 1 2 289.335 0.536 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000272857114 328201180 /nfs/dbraw/zinc/20/11/80/328201180.db2.gz LKKIXENWTNZIKO-CQSZACIVSA-N 1 2 289.335 0.536 20 30 CCEDLO Cc1ncc(CO[NH+]=C(N)CN2CCOCC2)s1 ZINC000111182002 327277515 /nfs/dbraw/zinc/27/75/15/327277515.db2.gz VHXNKGJDNXVJDK-UHFFFAOYSA-N 1 2 270.358 0.573 20 30 CCEDLO CNC(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000566308875 327298613 /nfs/dbraw/zinc/29/86/13/327298613.db2.gz KVVFURKJCQZYNS-AWEZNQCLSA-N 1 2 289.339 0.015 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570401137 327588892 /nfs/dbraw/zinc/58/88/92/327588892.db2.gz IJAJTNVUFXSQNI-ZDUSSCGKSA-N 1 2 259.313 0.470 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000174925040 329161628 /nfs/dbraw/zinc/16/16/28/329161628.db2.gz LEGKWOQBPVVFSY-CQSZACIVSA-N 1 2 295.387 0.174 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183789014 329250431 /nfs/dbraw/zinc/25/04/31/329250431.db2.gz REWOFHZXTUKPKT-CHWSQXEVSA-N 1 2 290.367 0.897 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[NH+]1CCOCC1 ZINC000190294540 329394449 /nfs/dbraw/zinc/39/44/49/329394449.db2.gz SPISNGTVUHPARH-UHFFFAOYSA-N 1 2 271.361 0.163 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007297 330389909 /nfs/dbraw/zinc/38/99/09/330389909.db2.gz PGQWCFZWRLVRKZ-CQSZACIVSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007297 330389910 /nfs/dbraw/zinc/38/99/10/330389910.db2.gz PGQWCFZWRLVRKZ-CQSZACIVSA-N 1 2 290.367 0.753 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSC1CC1 ZINC000448836690 330885412 /nfs/dbraw/zinc/88/54/12/330885412.db2.gz QDFYWKQNOBKWON-UHFFFAOYSA-N 1 2 297.424 0.956 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456208785 331186601 /nfs/dbraw/zinc/18/66/01/331186601.db2.gz WDXKDZUSRNYCPU-SCRDCRAPSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456208785 331186602 /nfs/dbraw/zinc/18/66/02/331186602.db2.gz WDXKDZUSRNYCPU-SCRDCRAPSA-N 1 2 268.357 0.293 20 30 CCEDLO C#CCNC(=O)c1ccc(NCCNc2cccc[nH+]2)nc1 ZINC000490672068 332101904 /nfs/dbraw/zinc/10/19/04/332101904.db2.gz WMJKSDCKANYEPZ-UHFFFAOYSA-N 1 2 295.346 0.786 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2cccc(O)c2)CC1 ZINC000490842229 332119916 /nfs/dbraw/zinc/11/99/16/332119916.db2.gz ZXZYVYUCRCGTMN-UHFFFAOYSA-N 1 2 287.363 0.606 20 30 CCEDLO C#CC[N@@H+](C)CCCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000491067544 332144737 /nfs/dbraw/zinc/14/47/37/332144737.db2.gz JCTBHFDBXLJADQ-VIFPVBQESA-N 1 2 286.319 0.812 20 30 CCEDLO C#CC[N@H+](C)CCCNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000491067544 332144739 /nfs/dbraw/zinc/14/47/39/332144739.db2.gz JCTBHFDBXLJADQ-VIFPVBQESA-N 1 2 286.319 0.812 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000491278809 332180046 /nfs/dbraw/zinc/18/00/46/332180046.db2.gz VVRJROMPHNXJOF-UHFFFAOYSA-N 1 2 265.357 0.468 20 30 CCEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(N)=O ZINC000491298728 332185185 /nfs/dbraw/zinc/18/51/85/332185185.db2.gz XBMXTHJQBKEHFI-JTQLQIEISA-N 1 2 277.299 0.844 20 30 CCEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(N)=O ZINC000491298728 332185186 /nfs/dbraw/zinc/18/51/86/332185186.db2.gz XBMXTHJQBKEHFI-JTQLQIEISA-N 1 2 277.299 0.844 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000491352071 332195803 /nfs/dbraw/zinc/19/58/03/332195803.db2.gz XMVFAVHTVUMZPZ-CQSZACIVSA-N 1 2 286.379 0.510 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000491507528 332225659 /nfs/dbraw/zinc/22/56/59/332225659.db2.gz VTBCNWFBUWOEND-SECBINFHSA-N 1 2 295.364 0.751 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000491507528 332225660 /nfs/dbraw/zinc/22/56/60/332225660.db2.gz VTBCNWFBUWOEND-SECBINFHSA-N 1 2 295.364 0.751 20 30 CCEDLO C#CCN(C(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000491544866 332234612 /nfs/dbraw/zinc/23/46/12/332234612.db2.gz NQTJCVOLCRKWIQ-UHFFFAOYSA-N 1 2 277.368 0.658 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000491615059 332242661 /nfs/dbraw/zinc/24/26/61/332242661.db2.gz ANVATZYSSQWNDV-CHWSQXEVSA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000491615059 332242663 /nfs/dbraw/zinc/24/26/63/332242663.db2.gz ANVATZYSSQWNDV-CHWSQXEVSA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491744381 332322325 /nfs/dbraw/zinc/32/23/25/332322325.db2.gz ZCQYJLWKAUEGBB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491744381 332322326 /nfs/dbraw/zinc/32/23/26/332322326.db2.gz ZCQYJLWKAUEGBB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491761340 332331839 /nfs/dbraw/zinc/33/18/39/332331839.db2.gz VNAUSPIGQKMOLV-YNEHKIRRSA-N 1 2 267.373 0.759 20 30 CCEDLO C#CCN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000491768732 332336099 /nfs/dbraw/zinc/33/60/99/332336099.db2.gz JAGRKPIKCIRRFK-CQSZACIVSA-N 1 2 297.424 0.469 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CC(OC)OC)n1 ZINC000491787089 332349595 /nfs/dbraw/zinc/34/95/95/332349595.db2.gz UZYIDVMCXSENPL-UHFFFAOYSA-N 1 2 281.356 0.584 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CC(OC)OC)n1 ZINC000491787089 332349597 /nfs/dbraw/zinc/34/95/97/332349597.db2.gz UZYIDVMCXSENPL-UHFFFAOYSA-N 1 2 281.356 0.584 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000491802151 332356297 /nfs/dbraw/zinc/35/62/97/332356297.db2.gz FLVJFMNAAJIILN-GFCCVEGCSA-N 1 2 253.346 0.276 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)o1 ZINC000575447592 335104773 /nfs/dbraw/zinc/10/47/73/335104773.db2.gz XFRRXGUBXHLABQ-ZDUSSCGKSA-N 1 2 274.280 0.325 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)o1 ZINC000575447592 335104774 /nfs/dbraw/zinc/10/47/74/335104774.db2.gz XFRRXGUBXHLABQ-ZDUSSCGKSA-N 1 2 274.280 0.325 20 30 CCEDLO NC(=O)[C@]1([NH2+]CC#Cc2ccccc2Cl)CCOC1 ZINC000575759959 335112997 /nfs/dbraw/zinc/11/29/97/335112997.db2.gz YFMBBAHZYQPLAY-AWEZNQCLSA-N 1 2 278.739 0.926 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000252013086 334373354 /nfs/dbraw/zinc/37/33/54/334373354.db2.gz XVMPRRWUUZGZHU-MCIONIFRSA-N 1 2 297.399 0.730 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000252013086 334373355 /nfs/dbraw/zinc/37/33/55/334373355.db2.gz XVMPRRWUUZGZHU-MCIONIFRSA-N 1 2 297.399 0.730 20 30 CCEDLO C=CC[N@H+](CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000189663557 333197486 /nfs/dbraw/zinc/19/74/86/333197486.db2.gz JKRWCGXSRYUQLY-SNVBAGLBSA-N 1 2 283.340 0.943 20 30 CCEDLO C=CC[N@@H+](CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000189663557 333197485 /nfs/dbraw/zinc/19/74/85/333197485.db2.gz JKRWCGXSRYUQLY-SNVBAGLBSA-N 1 2 283.340 0.943 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000539432006 333671083 /nfs/dbraw/zinc/67/10/83/333671083.db2.gz JXMNQEBMIRDYJY-UWVGGRQHSA-N 1 2 260.297 0.581 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000135150873 334117981 /nfs/dbraw/zinc/11/79/81/334117981.db2.gz QUSUWXBOQSHJCC-UKRRQHHQSA-N 1 2 284.400 0.740 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251638621 334365926 /nfs/dbraw/zinc/36/59/26/334365926.db2.gz HBZVQDJXNAROIJ-CHWSQXEVSA-N 1 2 283.372 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251638621 334365927 /nfs/dbraw/zinc/36/59/27/334365927.db2.gz HBZVQDJXNAROIJ-CHWSQXEVSA-N 1 2 283.372 0.484 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000568515510 334828430 /nfs/dbraw/zinc/82/84/30/334828430.db2.gz UEYPZKCHXKJXJK-VXGBXAGGSA-N 1 2 276.340 0.795 20 30 CCEDLO CCN(CC)C(=O)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573039252 334902681 /nfs/dbraw/zinc/90/26/81/334902681.db2.gz MWYZMTLZLBXFRZ-CQSZACIVSA-N 1 2 282.388 0.595 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000576526647 335215195 /nfs/dbraw/zinc/21/51/95/335215195.db2.gz HRASJRHQGMHNIH-INIZCTEOSA-N 1 2 298.346 0.851 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000576526647 335215196 /nfs/dbraw/zinc/21/51/96/335215196.db2.gz HRASJRHQGMHNIH-INIZCTEOSA-N 1 2 298.346 0.851 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C#N ZINC000182543568 335826089 /nfs/dbraw/zinc/82/60/89/335826089.db2.gz WOQOUZWQCFCMGT-GHMZBOCLSA-N 1 2 254.334 0.166 20 30 CCEDLO COC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000387386256 336193299 /nfs/dbraw/zinc/19/32/99/336193299.db2.gz ZJUXVKGLKVTGKI-AWEZNQCLSA-N 1 2 289.335 0.976 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCO1 ZINC000329109541 533829741 /nfs/dbraw/zinc/82/97/41/533829741.db2.gz IZKVCRSQOHWKHG-SYQHCUMBSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCO1 ZINC000329109541 533829749 /nfs/dbraw/zinc/82/97/49/533829749.db2.gz IZKVCRSQOHWKHG-SYQHCUMBSA-N 1 2 297.399 0.730 20 30 CCEDLO Cc1cc(NCc2nc(N(C)C)no2)c(C#N)c[nH+]1 ZINC000425237063 534035956 /nfs/dbraw/zinc/03/59/56/534035956.db2.gz GLYQCRAZIGSCCF-UHFFFAOYSA-N 1 2 258.285 0.745 20 30 CCEDLO CC(=O)NCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000328649833 518476552 /nfs/dbraw/zinc/47/65/52/518476552.db2.gz VFMTUWAZVLKBQM-CYBMUJFWSA-N 1 2 283.372 0.532 20 30 CCEDLO CC(=O)NCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000328649833 518476564 /nfs/dbraw/zinc/47/65/64/518476564.db2.gz VFMTUWAZVLKBQM-CYBMUJFWSA-N 1 2 283.372 0.532 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000184039022 524085476 /nfs/dbraw/zinc/08/54/76/524085476.db2.gz JQXIMUVJQAXUAO-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000184039022 524085481 /nfs/dbraw/zinc/08/54/81/524085481.db2.gz JQXIMUVJQAXUAO-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO C=CCN(Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000352562306 526381173 /nfs/dbraw/zinc/38/11/73/526381173.db2.gz JHWXFMYSJSJUSN-NSHDSACASA-N 1 2 255.343 0.585 20 30 CCEDLO C=CCN(Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000352562306 526381177 /nfs/dbraw/zinc/38/11/77/526381177.db2.gz JHWXFMYSJSJUSN-NSHDSACASA-N 1 2 255.343 0.585 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000668115647 545164018 /nfs/dbraw/zinc/16/40/18/545164018.db2.gz DLJSDBYLNQFWQG-CQSZACIVSA-N 1 2 290.363 0.886 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCNC1=O ZINC000331500174 527915880 /nfs/dbraw/zinc/91/58/80/527915880.db2.gz QSJZHGPUIUFZAL-RISCZKNCSA-N 1 2 278.356 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCNC1=O ZINC000331500174 527915888 /nfs/dbraw/zinc/91/58/88/527915888.db2.gz QSJZHGPUIUFZAL-RISCZKNCSA-N 1 2 278.356 0.005 20 30 CCEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000347394348 527960891 /nfs/dbraw/zinc/96/08/91/527960891.db2.gz YGSSLODYRDZKFX-GFCCVEGCSA-N 1 2 253.346 0.715 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191398389 535627413 /nfs/dbraw/zinc/62/74/13/535627413.db2.gz JUMAREIBKLITGK-UHFFFAOYSA-N 1 2 269.370 0.763 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191398389 535627420 /nfs/dbraw/zinc/62/74/20/535627420.db2.gz JUMAREIBKLITGK-UHFFFAOYSA-N 1 2 269.370 0.763 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000677817865 545373432 /nfs/dbraw/zinc/37/34/32/545373432.db2.gz QUJKTPLZMMKAJQ-UHFFFAOYSA-N 1 2 287.363 0.557 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000515495959 536306555 /nfs/dbraw/zinc/30/65/55/536306555.db2.gz KOJBOYXPNZBRRH-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000515495959 536306558 /nfs/dbraw/zinc/30/65/58/536306558.db2.gz KOJBOYXPNZBRRH-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N2CC[C@@H](C)C2)CC1 ZINC000777976896 581140212 /nfs/dbraw/zinc/14/02/12/581140212.db2.gz SXGKSIXUIKRIRG-CYBMUJFWSA-N 1 2 285.413 0.214 20 30 CCEDLO C#CCSCCNC(=S)NCC[NH+]1CCOCC1 ZINC000739460971 581141121 /nfs/dbraw/zinc/14/11/21/581141121.db2.gz NIYXTGLBLSALKH-UHFFFAOYSA-N 1 2 287.454 0.149 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000789874661 581160312 /nfs/dbraw/zinc/16/03/12/581160312.db2.gz IEQHXEQTFLIKLQ-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000789874661 581160313 /nfs/dbraw/zinc/16/03/13/581160313.db2.gz IEQHXEQTFLIKLQ-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCOCCNc1nc(C)[nH+]c(NCCOCC#C)n1 ZINC000775534293 581177778 /nfs/dbraw/zinc/17/77/78/581177778.db2.gz ZFSNMLWFGZNQJA-UHFFFAOYSA-N 1 2 289.339 0.303 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000790193302 581179678 /nfs/dbraw/zinc/17/96/78/581179678.db2.gz BVHYKBQMWBFVJY-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000790193302 581179679 /nfs/dbraw/zinc/17/96/79/581179679.db2.gz BVHYKBQMWBFVJY-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO CC(=NNc1[nH+]ccn1C)c1cc(C(N)=O)n(C)c1 ZINC000790302204 581183430 /nfs/dbraw/zinc/18/34/30/581183430.db2.gz ITMKRBMQSMDUPJ-UHFFFAOYSA-N 1 2 260.301 0.694 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564385 581191771 /nfs/dbraw/zinc/19/17/71/581191771.db2.gz RJOIITGMAZTDCD-VXGBXAGGSA-N 1 2 295.339 0.522 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564384 581191857 /nfs/dbraw/zinc/19/18/57/581191857.db2.gz RJOIITGMAZTDCD-RYUDHWBXSA-N 1 2 295.339 0.522 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@@H](C2CC2)O1 ZINC000791553346 581224442 /nfs/dbraw/zinc/22/44/42/581224442.db2.gz NBODLKZQSBEQCZ-PWSUYJOCSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@@H](C2CC2)O1 ZINC000791553346 581224444 /nfs/dbraw/zinc/22/44/44/581224444.db2.gz NBODLKZQSBEQCZ-PWSUYJOCSA-N 1 2 251.330 0.516 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355041 581265589 /nfs/dbraw/zinc/26/55/89/581265589.db2.gz WEONKTLNEPKUOS-SECBINFHSA-N 1 2 261.272 0.720 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355041 581265590 /nfs/dbraw/zinc/26/55/90/581265590.db2.gz WEONKTLNEPKUOS-SECBINFHSA-N 1 2 261.272 0.720 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000781346548 581265683 /nfs/dbraw/zinc/26/56/83/581265683.db2.gz JLVWSCOUFDGLNM-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000781346548 581265685 /nfs/dbraw/zinc/26/56/85/581265685.db2.gz JLVWSCOUFDGLNM-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NCCn1cc[nH+]c1 ZINC000782139515 581289893 /nfs/dbraw/zinc/28/98/93/581289893.db2.gz JBIHGNKXEDGFHF-UHFFFAOYSA-N 1 2 256.331 0.352 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000793487237 581300266 /nfs/dbraw/zinc/30/02/66/581300266.db2.gz FYTMNAOKMURUDU-CQSZACIVSA-N 1 2 287.367 0.551 20 30 CCEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000793857946 581316232 /nfs/dbraw/zinc/31/62/32/581316232.db2.gz XDZNYFPBHXRGOW-STQMWFEESA-N 1 2 261.325 0.650 20 30 CCEDLO COCC[N@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCOC1 ZINC000782960559 581329054 /nfs/dbraw/zinc/32/90/54/581329054.db2.gz GWDNCJPTBOJWIG-ZDUSSCGKSA-N 1 2 291.351 0.723 20 30 CCEDLO COCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCOC1 ZINC000782960559 581329057 /nfs/dbraw/zinc/32/90/57/581329057.db2.gz GWDNCJPTBOJWIG-ZDUSSCGKSA-N 1 2 291.351 0.723 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC(N)=O ZINC000796604098 581359085 /nfs/dbraw/zinc/35/90/85/581359085.db2.gz VNHIIIYAPKJFJL-CYBMUJFWSA-N 1 2 275.308 0.580 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(N)=O ZINC000796604098 581359086 /nfs/dbraw/zinc/35/90/86/581359086.db2.gz VNHIIIYAPKJFJL-CYBMUJFWSA-N 1 2 275.308 0.580 20 30 CCEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000784848103 581395712 /nfs/dbraw/zinc/39/57/12/581395712.db2.gz GSBLGWJMIKCIAW-SECBINFHSA-N 1 2 256.265 0.411 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)[nH]1 ZINC000784916940 581398481 /nfs/dbraw/zinc/39/84/81/581398481.db2.gz AKYQCJPVOMSSQH-JTQLQIEISA-N 1 2 263.297 0.764 20 30 CCEDLO C=CCCOCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784919024 581399105 /nfs/dbraw/zinc/39/91/05/581399105.db2.gz URUCNYNLNKIEEQ-LBPRGKRZSA-N 1 2 257.330 0.843 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000785977690 581426092 /nfs/dbraw/zinc/42/60/92/581426092.db2.gz MBPNLMRYXYOAOC-UHFFFAOYSA-N 1 2 287.363 0.259 20 30 CCEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCC#N)C1 ZINC000796296953 581436305 /nfs/dbraw/zinc/43/63/05/581436305.db2.gz VNMDNXOBJABUIM-SNVBAGLBSA-N 1 2 293.245 0.054 20 30 CCEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCC#N)C1 ZINC000796296953 581436306 /nfs/dbraw/zinc/43/63/06/581436306.db2.gz VNMDNXOBJABUIM-SNVBAGLBSA-N 1 2 293.245 0.054 20 30 CCEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000796553596 581443292 /nfs/dbraw/zinc/44/32/92/581443292.db2.gz MHIOOGIGSINSKH-LBPRGKRZSA-N 1 2 296.371 0.569 20 30 CCEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000796553596 581443294 /nfs/dbraw/zinc/44/32/94/581443294.db2.gz MHIOOGIGSINSKH-LBPRGKRZSA-N 1 2 296.371 0.569 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796607613 581446185 /nfs/dbraw/zinc/44/61/85/581446185.db2.gz VKFFXNJQKQDQHS-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796607613 581446186 /nfs/dbraw/zinc/44/61/86/581446186.db2.gz VKFFXNJQKQDQHS-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000734136070 581548207 /nfs/dbraw/zinc/54/82/07/581548207.db2.gz DUNCAMILILMARN-STQMWFEESA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000734136070 581548208 /nfs/dbraw/zinc/54/82/08/581548208.db2.gz DUNCAMILILMARN-STQMWFEESA-N 1 2 277.368 0.210 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCCNC(=O)C3)n2c1 ZINC000769114250 581672904 /nfs/dbraw/zinc/67/29/04/581672904.db2.gz JGBXTBKNMGUCOR-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(CC)cs2)CC1 ZINC000756963210 581687075 /nfs/dbraw/zinc/68/70/75/581687075.db2.gz OSYLJMNVJQIHHG-UHFFFAOYSA-N 1 2 292.408 0.577 20 30 CCEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000757650486 581705720 /nfs/dbraw/zinc/70/57/20/581705720.db2.gz YHKSSQJWLAQBJL-AWEZNQCLSA-N 1 2 258.321 0.548 20 30 CCEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000757650486 581705722 /nfs/dbraw/zinc/70/57/22/581705722.db2.gz YHKSSQJWLAQBJL-AWEZNQCLSA-N 1 2 258.321 0.548 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1=O ZINC000758241975 581731001 /nfs/dbraw/zinc/73/10/01/581731001.db2.gz VIAYWAAUIZKKOG-OLZOCXBDSA-N 1 2 291.376 0.884 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1=O ZINC000758241975 581731004 /nfs/dbraw/zinc/73/10/04/581731004.db2.gz VIAYWAAUIZKKOG-OLZOCXBDSA-N 1 2 291.376 0.884 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000770242893 581736491 /nfs/dbraw/zinc/73/64/91/581736491.db2.gz UKKWOHGJSLDHSF-CYBMUJFWSA-N 1 2 285.413 0.356 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnc(C)s2)CC1 ZINC000758348707 581739792 /nfs/dbraw/zinc/73/97/92/581739792.db2.gz XEJHQCWZRHPNOL-UHFFFAOYSA-N 1 2 264.354 0.628 20 30 CCEDLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NCCC#N ZINC000759827905 581826147 /nfs/dbraw/zinc/82/61/47/581826147.db2.gz BWSPRBZFHFPJKF-LBPRGKRZSA-N 1 2 253.302 0.044 20 30 CCEDLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NCCC#N ZINC000759827905 581826149 /nfs/dbraw/zinc/82/61/49/581826149.db2.gz BWSPRBZFHFPJKF-LBPRGKRZSA-N 1 2 253.302 0.044 20 30 CCEDLO NC(=NOCCO)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000732527200 581833796 /nfs/dbraw/zinc/83/37/96/581833796.db2.gz NCSPGEQSSCSAET-UHFFFAOYSA-N 1 2 279.340 0.148 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000744419076 581842130 /nfs/dbraw/zinc/84/21/30/581842130.db2.gz MWVUFEDCATWQRJ-UHFFFAOYSA-N 1 2 263.366 0.853 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000744419288 581842179 /nfs/dbraw/zinc/84/21/79/581842179.db2.gz XBATXTNNHROIOL-UHFFFAOYSA-N 1 2 291.395 0.557 20 30 CCEDLO C[N@H+](CC(=O)NCCC#N)CC(=O)NCc1cccs1 ZINC000732983423 581857467 /nfs/dbraw/zinc/85/74/67/581857467.db2.gz VVTAMPBIIQXFKQ-UHFFFAOYSA-N 1 2 294.380 0.326 20 30 CCEDLO C[N@@H+](CC(=O)NCCC#N)CC(=O)NCc1cccs1 ZINC000732983423 581857468 /nfs/dbraw/zinc/85/74/68/581857468.db2.gz VVTAMPBIIQXFKQ-UHFFFAOYSA-N 1 2 294.380 0.326 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/C2CCOCC2)CC1 ZINC000733162198 581869396 /nfs/dbraw/zinc/86/93/96/581869396.db2.gz JIHNBKMMPIWGHC-ONEGZZNKSA-N 1 2 262.353 0.747 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000761247002 581899411 /nfs/dbraw/zinc/89/94/11/581899411.db2.gz OBNBKJLCGWSNPN-NWDGAFQWSA-N 1 2 281.356 0.546 20 30 CCEDLO C#C[C@@H](NC(=O)NCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000773564393 581933987 /nfs/dbraw/zinc/93/39/87/581933987.db2.gz ZBRILYIGXKXUMT-OLZOCXBDSA-N 1 2 288.351 0.974 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000747394042 581938339 /nfs/dbraw/zinc/93/83/39/581938339.db2.gz LXEBSMVSIDPIOS-AWEZNQCLSA-N 1 2 299.378 0.223 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC)C(=O)OC ZINC000773968230 581949922 /nfs/dbraw/zinc/94/99/22/581949922.db2.gz GPXVUYZHMRRQLN-NEPJUHHUSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC)C(=O)OC ZINC000773968230 581949924 /nfs/dbraw/zinc/94/99/24/581949924.db2.gz GPXVUYZHMRRQLN-NEPJUHHUSA-N 1 2 266.341 0.542 20 30 CCEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000774026637 581953540 /nfs/dbraw/zinc/95/35/40/581953540.db2.gz LHVCVMLCHCBZMB-QWHCGFSZSA-N 1 2 276.340 0.753 20 30 CCEDLO O=C1N=C(N[NH+]=C2CCCNc3ccccc32)NC1=O ZINC000774397167 581972579 /nfs/dbraw/zinc/97/25/79/581972579.db2.gz YBSASMUCEFWYMS-UHFFFAOYSA-N 1 2 271.280 0.198 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C1CC1 ZINC000749247001 582000701 /nfs/dbraw/zinc/00/07/01/582000701.db2.gz LSZOYFGFVLXSDG-JSGCOSHPSA-N 1 2 299.378 0.644 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000749360649 582004109 /nfs/dbraw/zinc/00/41/09/582004109.db2.gz XCURGIFANCJQFQ-SECBINFHSA-N 1 2 297.218 0.909 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000749360649 582004110 /nfs/dbraw/zinc/00/41/10/582004110.db2.gz XCURGIFANCJQFQ-SECBINFHSA-N 1 2 297.218 0.909 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000749543583 582011957 /nfs/dbraw/zinc/01/19/57/582011957.db2.gz MOCSBBUPIYAGLG-LBPRGKRZSA-N 1 2 260.341 0.479 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000749543583 582011960 /nfs/dbraw/zinc/01/19/60/582011960.db2.gz MOCSBBUPIYAGLG-LBPRGKRZSA-N 1 2 260.341 0.479 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)[C@@H]1CCCO1 ZINC000775344264 582019994 /nfs/dbraw/zinc/01/99/94/582019994.db2.gz GBGSCRGXGLYXJV-HOTGVXAUSA-N 1 2 297.362 0.992 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)[C@@H]1CCCO1 ZINC000775804807 582040608 /nfs/dbraw/zinc/04/06/08/582040608.db2.gz CJWHPBGFVPXIGO-MNOVXSKESA-N 1 2 263.345 0.699 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(CC(=O)NCCC#N)CC2)S1 ZINC000750831883 582060184 /nfs/dbraw/zinc/06/01/84/582060184.db2.gz ZUYCHAHXGBCAAK-LLVKDONJSA-N 1 2 295.412 0.125 20 30 CCEDLO C#CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764779562 582068609 /nfs/dbraw/zinc/06/86/09/582068609.db2.gz JPXYCRHFLHZNPC-UHFFFAOYSA-N 1 2 251.330 0.174 20 30 CCEDLO C#CCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764792868 582069057 /nfs/dbraw/zinc/06/90/57/582069057.db2.gz XXWOVKIQNYKDHK-UHFFFAOYSA-N 1 2 265.357 0.564 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764805097 582069542 /nfs/dbraw/zinc/06/95/42/582069542.db2.gz MKBDGVDHHNSOBT-LLVKDONJSA-N 1 2 251.330 0.172 20 30 CCEDLO COc1cc(C)[nH+]c(CN=Nc2ccc(C(N)=O)nn2)c1 ZINC000776776421 582090425 /nfs/dbraw/zinc/09/04/25/582090425.db2.gz GHHGMGKFRSXAJP-UHFFFAOYSA-N 1 2 286.295 0.734 20 30 CCEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867451517 612986140 /nfs/dbraw/zinc/98/61/40/612986140.db2.gz YASSRCIPBRLTSN-SECBINFHSA-N 1 2 275.230 0.857 20 30 CCEDLO C#CCSCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000896698677 613009619 /nfs/dbraw/zinc/00/96/19/613009619.db2.gz SGEXOGZPKYQWQZ-CYBMUJFWSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931953691 612948099 /nfs/dbraw/zinc/94/80/99/612948099.db2.gz RAKUEDPUMSELHA-KOLCDFICSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931953691 612948100 /nfs/dbraw/zinc/94/81/00/612948100.db2.gz RAKUEDPUMSELHA-KOLCDFICSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000852755556 612949994 /nfs/dbraw/zinc/94/99/94/612949994.db2.gz SIGLVKLYNMAGRC-NSHDSACASA-N 1 2 285.347 0.282 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000852755556 612949995 /nfs/dbraw/zinc/94/99/95/612949995.db2.gz SIGLVKLYNMAGRC-NSHDSACASA-N 1 2 285.347 0.282 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268575 612950346 /nfs/dbraw/zinc/95/03/46/612950346.db2.gz LJBRWIKGWXLIRT-UWVGGRQHSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268575 612950349 /nfs/dbraw/zinc/95/03/49/612950349.db2.gz LJBRWIKGWXLIRT-UWVGGRQHSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000899116411 612950532 /nfs/dbraw/zinc/95/05/32/612950532.db2.gz LRRSLWAAOMHGDH-UHFFFAOYSA-N 1 2 261.325 0.650 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1C ZINC000883059099 612952040 /nfs/dbraw/zinc/95/20/40/612952040.db2.gz LTVDIZILKXIFOL-NSHDSACASA-N 1 2 259.309 0.979 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280850 612953489 /nfs/dbraw/zinc/95/34/89/612953489.db2.gz IISZRZMSQRHVRT-WDEREUQCSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280850 612953491 /nfs/dbraw/zinc/95/34/91/612953491.db2.gz IISZRZMSQRHVRT-WDEREUQCSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CC[C@H](CCOC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882467330 613052838 /nfs/dbraw/zinc/05/28/38/613052838.db2.gz ZDKLBJPEZFEDAK-GFCCVEGCSA-N 1 2 285.369 0.231 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823838201 607813614 /nfs/dbraw/zinc/81/36/14/607813614.db2.gz LSWXSJMYLZZTJC-UHFFFAOYSA-N 1 2 296.334 0.144 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907775335 613113075 /nfs/dbraw/zinc/11/30/75/613113075.db2.gz UPERYUUZIRAIPS-XSNHNAGMSA-N 1 2 250.342 0.745 20 30 CCEDLO COc1cc2c(cc1F)C(=NNC1=[NH+]C[C@H](C)N1)C(=O)N2 ZINC000834969373 617218498 /nfs/dbraw/zinc/21/84/98/617218498.db2.gz GQHABNUPPRWVII-LURJTMIESA-N 1 2 291.286 0.428 20 30 CCEDLO COc1ccc2c(c1F)NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000834969171 617286903 /nfs/dbraw/zinc/28/69/03/617286903.db2.gz FTDLMMSLXKPWEL-ZCFIWIBFSA-N 1 2 291.286 0.428 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cnnn1C ZINC000960502781 617290240 /nfs/dbraw/zinc/29/02/40/617290240.db2.gz NXYXLTQRIBWTFN-RYUDHWBXSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cnnn1C ZINC000960502781 617290242 /nfs/dbraw/zinc/29/02/42/617290242.db2.gz NXYXLTQRIBWTFN-RYUDHWBXSA-N 1 2 290.371 0.398 20 30 CCEDLO C#CC1(O)CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000912972184 612950737 /nfs/dbraw/zinc/95/07/37/612950737.db2.gz YULCAWPJVSYBOV-UHFFFAOYSA-N 1 2 259.309 0.480 20 30 CCEDLO C#CC1(O)CN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000897342135 612962758 /nfs/dbraw/zinc/96/27/58/612962758.db2.gz SAFFKLIVAZEWQC-UHFFFAOYSA-N 1 2 271.324 0.766 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000816563572 612975289 /nfs/dbraw/zinc/97/52/89/612975289.db2.gz BYAGDELUEQASLI-ZDUSSCGKSA-N 1 2 289.379 0.961 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838515807 612977829 /nfs/dbraw/zinc/97/78/29/612977829.db2.gz KMZPLYPFMWQKDM-OKILXGFUSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838515807 612977831 /nfs/dbraw/zinc/97/78/31/612977831.db2.gz KMZPLYPFMWQKDM-OKILXGFUSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000920754954 612982094 /nfs/dbraw/zinc/98/20/94/612982094.db2.gz JMBHUFJDIXJIOB-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCOCC[N@H+]1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 ZINC000933209567 612983781 /nfs/dbraw/zinc/98/37/81/612983781.db2.gz YOESZDUTMXIQFL-RBSFLKMASA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 ZINC000933209567 612983783 /nfs/dbraw/zinc/98/37/83/612983783.db2.gz YOESZDUTMXIQFL-RBSFLKMASA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnnc2C)C1 ZINC000950770636 612992547 /nfs/dbraw/zinc/99/25/47/612992547.db2.gz YFNHMCWNOCBOAB-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854727059 612999538 /nfs/dbraw/zinc/99/95/38/612999538.db2.gz UNDGRYANJGJAEA-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000837382476 613009970 /nfs/dbraw/zinc/00/99/70/613009970.db2.gz XJPOVKFMGDFRKU-BFHYXJOUSA-N 1 2 274.364 0.769 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000863779966 613022234 /nfs/dbraw/zinc/02/22/34/613022234.db2.gz VAZMWHPEJIHOMD-STQMWFEESA-N 1 2 275.352 0.990 20 30 CCEDLO C#CCCOC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000859034869 613048764 /nfs/dbraw/zinc/04/87/64/613048764.db2.gz SRUPBUXDIPDDNV-ZDUSSCGKSA-N 1 2 266.341 0.943 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000875919071 613049914 /nfs/dbraw/zinc/04/99/14/613049914.db2.gz ANSMEGJNZOVKIO-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000798349064 613056369 /nfs/dbraw/zinc/05/63/69/613056369.db2.gz UJAQIUBUXMBLAF-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000798398467 613056582 /nfs/dbraw/zinc/05/65/82/613056582.db2.gz QFMAYUWTVXSCOT-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000798398467 613056583 /nfs/dbraw/zinc/05/65/83/613056583.db2.gz QFMAYUWTVXSCOT-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816672976 613057686 /nfs/dbraw/zinc/05/76/86/613057686.db2.gz OJTQLXBTXRBPPV-CYBMUJFWSA-N 1 2 269.304 0.986 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000875926451 613063196 /nfs/dbraw/zinc/06/31/96/613063196.db2.gz FYOMVVQVGMKNEH-MCIONIFRSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000875926451 613063197 /nfs/dbraw/zinc/06/31/97/613063197.db2.gz FYOMVVQVGMKNEH-MCIONIFRSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000842236411 613075354 /nfs/dbraw/zinc/07/53/54/613075354.db2.gz ODTYVAOQJDZKMK-LLVKDONJSA-N 1 2 272.308 0.827 20 30 CCEDLO C#C[C@@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923215828 613081616 /nfs/dbraw/zinc/08/16/16/613081616.db2.gz QWMJGEPIZZLFQQ-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823314716 613089038 /nfs/dbraw/zinc/08/90/38/613089038.db2.gz KPGYLHDFZCLDCL-DZGCQCFKSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823314716 613089040 /nfs/dbraw/zinc/08/90/40/613089040.db2.gz KPGYLHDFZCLDCL-DZGCQCFKSA-N 1 2 288.347 0.380 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000950642055 613110990 /nfs/dbraw/zinc/11/09/90/613110990.db2.gz KGSABCXJFUYQBK-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC4(CC4)C3)CC2)C1 ZINC000941563923 613114635 /nfs/dbraw/zinc/11/46/35/613114635.db2.gz PNUWQELGRUSKMI-UHFFFAOYSA-N 1 2 287.407 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3C=CC=CC=C3)CC2)C1 ZINC000941426820 613114702 /nfs/dbraw/zinc/11/47/02/613114702.db2.gz HXUZVOTUCUUQFF-UHFFFAOYSA-N 1 2 297.402 0.746 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnccc3C)CC2)C1 ZINC000941357349 613116195 /nfs/dbraw/zinc/11/61/95/613116195.db2.gz RAUXUZJDWPBLBG-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000820394439 613117392 /nfs/dbraw/zinc/11/73/92/613117392.db2.gz KTQZNXTWAWAPOU-QJPTWQEYSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000820394439 613117395 /nfs/dbraw/zinc/11/73/95/613117395.db2.gz KTQZNXTWAWAPOU-QJPTWQEYSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](CC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000821567696 613119752 /nfs/dbraw/zinc/11/97/52/613119752.db2.gz UTRIXGSGUCRPRD-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000970684042 613124371 /nfs/dbraw/zinc/12/43/71/613124371.db2.gz NJSLLXRUAJTODE-NSHDSACASA-N 1 2 273.336 0.367 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)CSc2nnc(C)[nH]2)CC1 ZINC000928656114 613133442 /nfs/dbraw/zinc/13/34/42/613133442.db2.gz LPZVCGRQOMKLNA-UHFFFAOYSA-N 1 2 293.396 0.419 20 30 CCEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCOCC1 ZINC000856102236 613134203 /nfs/dbraw/zinc/13/42/03/613134203.db2.gz ABJMKCYCNPFKEI-ZDUSSCGKSA-N 1 2 261.325 0.507 20 30 CCEDLO C#C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@H]1CCCO1 ZINC000838556162 613140212 /nfs/dbraw/zinc/14/02/12/613140212.db2.gz KWIVBWKZFLDTOJ-QWHCGFSZSA-N 1 2 276.340 0.443 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000875506833 613143779 /nfs/dbraw/zinc/14/37/79/613143779.db2.gz PRCIQOMZJOWEKN-KGYLQXTDSA-N 1 2 274.324 0.288 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC000935800377 613145701 /nfs/dbraw/zinc/14/57/01/613145701.db2.gz HZPKEYQAUOUOSJ-ILXRZTDVSA-N 1 2 294.395 0.640 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000832417366 613146322 /nfs/dbraw/zinc/14/63/22/613146322.db2.gz FYWNSUFHNGMLGP-NMKXLXIOSA-N 1 2 273.336 0.821 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(CC2CC2)nn1)[C@@H]1CCCO1 ZINC000828952531 613151161 /nfs/dbraw/zinc/15/11/61/613151161.db2.gz ABEWSDJVKKWXIA-KBPBESRZSA-N 1 2 260.341 0.959 20 30 CCEDLO C#C[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000882335762 613159588 /nfs/dbraw/zinc/15/95/88/613159588.db2.gz YPKGXTQDGJYOQY-LBPRGKRZSA-N 1 2 267.354 0.558 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCCOCCOCCOC ZINC000852160752 613162567 /nfs/dbraw/zinc/16/25/67/613162567.db2.gz AKKZBKYCCWUUSR-AWEZNQCLSA-N 1 2 271.357 0.390 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCCOCCOCCOC ZINC000852160752 613162568 /nfs/dbraw/zinc/16/25/68/613162568.db2.gz AKKZBKYCCWUUSR-AWEZNQCLSA-N 1 2 271.357 0.390 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCC#N)C1 ZINC000885511804 613175956 /nfs/dbraw/zinc/17/59/56/613175956.db2.gz MVUXNASPIOLNSO-GFCCVEGCSA-N 1 2 269.370 0.307 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC#N)C1 ZINC000885511804 613175957 /nfs/dbraw/zinc/17/59/57/613175957.db2.gz MVUXNASPIOLNSO-GFCCVEGCSA-N 1 2 269.370 0.307 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000885509234 613175973 /nfs/dbraw/zinc/17/59/73/613175973.db2.gz QHEYYSZZNFKDJJ-CHWSQXEVSA-N 1 2 298.412 0.010 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000885509234 613175975 /nfs/dbraw/zinc/17/59/75/613175975.db2.gz QHEYYSZZNFKDJJ-CHWSQXEVSA-N 1 2 298.412 0.010 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000855412011 613178129 /nfs/dbraw/zinc/17/81/29/613178129.db2.gz ROVLBXWAKATXCB-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000855412011 613178130 /nfs/dbraw/zinc/17/81/30/613178130.db2.gz ROVLBXWAKATXCB-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(=O)[C@@H](C)C2)C1 ZINC000924038376 613183032 /nfs/dbraw/zinc/18/30/32/613183032.db2.gz RSMMRQUNYNPTCJ-STQMWFEESA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(=O)[C@@H](C)C2)C1 ZINC000924038376 613183033 /nfs/dbraw/zinc/18/30/33/613183033.db2.gz RSMMRQUNYNPTCJ-STQMWFEESA-N 1 2 277.368 0.705 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCCOC)C1 ZINC000885511111 613193151 /nfs/dbraw/zinc/19/31/51/613193151.db2.gz CDLMMDIEZNFVAY-ZDUSSCGKSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCCOC)C1 ZINC000885511111 613193152 /nfs/dbraw/zinc/19/31/52/613193152.db2.gz CDLMMDIEZNFVAY-ZDUSSCGKSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)=O)CC1 ZINC000832307832 613194837 /nfs/dbraw/zinc/19/48/37/613194837.db2.gz RGIQYCLBADISBH-AWEZNQCLSA-N 1 2 262.353 0.912 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)=O)CC1 ZINC000832307832 613194840 /nfs/dbraw/zinc/19/48/40/613194840.db2.gz RGIQYCLBADISBH-AWEZNQCLSA-N 1 2 262.353 0.912 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncccc1OC ZINC000837115346 613200858 /nfs/dbraw/zinc/20/08/58/613200858.db2.gz VAMXCEILJXHLLC-ZDUSSCGKSA-N 1 2 273.336 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncccc1OC ZINC000837115346 613200860 /nfs/dbraw/zinc/20/08/60/613200860.db2.gz VAMXCEILJXHLLC-ZDUSSCGKSA-N 1 2 273.336 0.804 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCOC)CC1 ZINC000802341632 613209535 /nfs/dbraw/zinc/20/95/35/613209535.db2.gz BHQAYAMETXCMHC-UHFFFAOYSA-N 1 2 291.399 0.803 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972514564 613210980 /nfs/dbraw/zinc/21/09/80/613210980.db2.gz PPYIVWUQJWLPPH-HNNXBMFYSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972514564 613210981 /nfs/dbraw/zinc/21/09/81/613210981.db2.gz PPYIVWUQJWLPPH-HNNXBMFYSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334011 613212456 /nfs/dbraw/zinc/21/24/56/613212456.db2.gz UEDQVRHEGZMZRN-ZBCRRDGASA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334011 613212457 /nfs/dbraw/zinc/21/24/57/613212457.db2.gz UEDQVRHEGZMZRN-ZBCRRDGASA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972253711 613213016 /nfs/dbraw/zinc/21/30/16/613213016.db2.gz RXJOQAVLIOGSSG-OAHLLOKOSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972253711 613213018 /nfs/dbraw/zinc/21/30/18/613213018.db2.gz RXJOQAVLIOGSSG-OAHLLOKOSA-N 1 2 273.336 0.565 20 30 CCEDLO C#Cc1cncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000798150014 613216106 /nfs/dbraw/zinc/21/61/06/613216106.db2.gz CGVVVZKNDLILFA-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000855406326 613216681 /nfs/dbraw/zinc/21/66/81/613216681.db2.gz DACSLKBHEYRCQW-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000855406326 613216684 /nfs/dbraw/zinc/21/66/84/613216684.db2.gz DACSLKBHEYRCQW-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C/C(=C/C(=O)N1CCO[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000900604101 613231343 /nfs/dbraw/zinc/23/13/43/613231343.db2.gz AKRPDMXFQVLLMZ-FSBNRTBOSA-N 1 2 279.340 0.016 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC000957993059 613236136 /nfs/dbraw/zinc/23/61/36/613236136.db2.gz TWJNKMZIXHAITC-MYJAWHEDSA-N 1 2 259.147 0.961 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC000957993059 613236137 /nfs/dbraw/zinc/23/61/37/613236137.db2.gz TWJNKMZIXHAITC-MYJAWHEDSA-N 1 2 259.147 0.961 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000950700996 613294397 /nfs/dbraw/zinc/29/43/97/613294397.db2.gz DCZINXYUMNWRRX-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 ZINC000950001912 613295497 /nfs/dbraw/zinc/29/54/97/613295497.db2.gz OSYPQBLYZXBHCL-LLVKDONJSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn[nH]c(=O)c2)C1 ZINC000950569072 613297291 /nfs/dbraw/zinc/29/72/91/613297291.db2.gz VDQHANBWNUWWCX-UHFFFAOYSA-N 1 2 276.340 0.905 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)n2)C1 ZINC000953836252 613297389 /nfs/dbraw/zinc/29/73/89/613297389.db2.gz IURWCARMKAURBY-UHFFFAOYSA-N 1 2 263.345 0.538 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC000949844263 613318866 /nfs/dbraw/zinc/31/88/66/613318866.db2.gz FJKLAYVVGJLVDY-CYBMUJFWSA-N 1 2 256.321 0.835 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC000948723020 613320096 /nfs/dbraw/zinc/32/00/96/613320096.db2.gz HZNIGAKULOQOCU-UHFFFAOYSA-N 1 2 277.372 0.940 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000851739450 613323689 /nfs/dbraw/zinc/32/36/89/613323689.db2.gz AUQIIOZLUQBMCP-NSHDSACASA-N 1 2 289.383 0.890 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883143697 613354953 /nfs/dbraw/zinc/35/49/53/613354953.db2.gz SHBCQLZOKICBNU-RYUDHWBXSA-N 1 2 266.345 0.898 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000865303881 613356908 /nfs/dbraw/zinc/35/69/08/613356908.db2.gz OKHWBIGSCHHMAI-RYUDHWBXSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000865303881 613356909 /nfs/dbraw/zinc/35/69/09/613356909.db2.gz OKHWBIGSCHHMAI-RYUDHWBXSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336654 613357714 /nfs/dbraw/zinc/35/77/14/613357714.db2.gz RDOYJXAJOGANQP-HZSPNIEDSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000870545920 613358786 /nfs/dbraw/zinc/35/87/86/613358786.db2.gz QMRDAYSGFUXIOE-VIFPVBQESA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(C[NH+](C)C)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843874584 613365899 /nfs/dbraw/zinc/36/58/99/613365899.db2.gz DMPCMFZBYQIMJN-UHFFFAOYSA-N 1 2 279.344 0.334 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000980720788 613373474 /nfs/dbraw/zinc/37/34/74/613373474.db2.gz JEJTVQITLOTMFO-UHFFFAOYSA-N 1 2 297.790 0.955 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2cncn2)CC1 ZINC000980720788 613373475 /nfs/dbraw/zinc/37/34/75/613373475.db2.gz JEJTVQITLOTMFO-UHFFFAOYSA-N 1 2 297.790 0.955 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC000966382454 613375837 /nfs/dbraw/zinc/37/58/37/613375837.db2.gz DQTOBTFRMGDPMR-ZYHUDNBSSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC000966382454 613375838 /nfs/dbraw/zinc/37/58/38/613375838.db2.gz DQTOBTFRMGDPMR-ZYHUDNBSSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974908680 613379778 /nfs/dbraw/zinc/37/97/78/613379778.db2.gz BXCNGTVZGAWXBE-GHMZBOCLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974908680 613379779 /nfs/dbraw/zinc/37/97/79/613379779.db2.gz BXCNGTVZGAWXBE-GHMZBOCLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2oncc2C)C1 ZINC000958559343 613380817 /nfs/dbraw/zinc/38/08/17/613380817.db2.gz NUHOMBPHYPSFLP-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2oncc2C)C1 ZINC000958559343 613380818 /nfs/dbraw/zinc/38/08/18/613380818.db2.gz NUHOMBPHYPSFLP-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974908684 613380899 /nfs/dbraw/zinc/38/08/99/613380899.db2.gz BXCNGTVZGAWXBE-MNOVXSKESA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974908684 613380900 /nfs/dbraw/zinc/38/09/00/613380900.db2.gz BXCNGTVZGAWXBE-MNOVXSKESA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852122542 613383604 /nfs/dbraw/zinc/38/36/04/613383604.db2.gz FRXJMKIPMVTLAR-LLVKDONJSA-N 1 2 273.764 0.855 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCNC(=O)N(C)C ZINC000878336530 613396820 /nfs/dbraw/zinc/39/68/20/613396820.db2.gz INYCFSIHOISBDK-JTQLQIEISA-N 1 2 257.334 0.307 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCNC(=O)N(C)C ZINC000878336530 613396822 /nfs/dbraw/zinc/39/68/22/613396822.db2.gz INYCFSIHOISBDK-JTQLQIEISA-N 1 2 257.334 0.307 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000878255506 613397359 /nfs/dbraw/zinc/39/73/59/613397359.db2.gz QOUOKUQJUVWHQA-HXPMCKFVSA-N 1 2 288.413 0.100 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878265728 613410911 /nfs/dbraw/zinc/41/09/11/613410911.db2.gz QNKZMJWHZIMAHA-WDEREUQCSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878265728 613410913 /nfs/dbraw/zinc/41/09/13/613410913.db2.gz QNKZMJWHZIMAHA-WDEREUQCSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000878433049 613412319 /nfs/dbraw/zinc/41/23/19/613412319.db2.gz QSCBPORBYOOOFZ-VXGBXAGGSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000878433049 613412322 /nfs/dbraw/zinc/41/23/22/613412322.db2.gz QSCBPORBYOOOFZ-VXGBXAGGSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@H]([NH2+]CCCNC(=O)C(C)C)C(=O)OC ZINC000905762541 613419280 /nfs/dbraw/zinc/41/92/80/613419280.db2.gz NLOAAHDPLFNPAI-NSHDSACASA-N 1 2 256.346 0.856 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CC)C2)nn1 ZINC000952425291 613425088 /nfs/dbraw/zinc/42/50/88/613425088.db2.gz LHOSBKKWKGLTBT-UHFFFAOYSA-N 1 2 263.345 0.630 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@@H](CCC(=O)OC)C(=O)OC)CC1 ZINC000886778677 613460659 /nfs/dbraw/zinc/46/06/59/613460659.db2.gz NWUFJDLENXYTLK-LBPRGKRZSA-N 1 2 299.367 0.884 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000924627064 613471943 /nfs/dbraw/zinc/47/19/43/613471943.db2.gz CMAJHQOFFKJRDE-OLZOCXBDSA-N 1 2 294.399 0.509 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000924627064 613471944 /nfs/dbraw/zinc/47/19/44/613471944.db2.gz CMAJHQOFFKJRDE-OLZOCXBDSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000981872939 613473387 /nfs/dbraw/zinc/47/33/87/613473387.db2.gz FASXWGOYWNELNA-HNNXBMFYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000981872939 613473388 /nfs/dbraw/zinc/47/33/88/613473388.db2.gz FASXWGOYWNELNA-HNNXBMFYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000800337763 613482066 /nfs/dbraw/zinc/48/20/66/613482066.db2.gz NPRHXNUUOLBLFC-GHMZBOCLSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000800337763 613482068 /nfs/dbraw/zinc/48/20/68/613482068.db2.gz NPRHXNUUOLBLFC-GHMZBOCLSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924786734 613491516 /nfs/dbraw/zinc/49/15/16/613491516.db2.gz SWHRMEHPCRDOIU-SECBINFHSA-N 1 2 284.385 0.551 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)ccc2=O)C1 ZINC000970125771 613539314 /nfs/dbraw/zinc/53/93/14/613539314.db2.gz UOSMNZHJXFUEEN-LBPRGKRZSA-N 1 2 287.363 0.459 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000957680438 613563064 /nfs/dbraw/zinc/56/30/64/613563064.db2.gz KJDCEOSLGRYONT-CQSZACIVSA-N 1 2 264.369 0.971 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972278803 613571041 /nfs/dbraw/zinc/57/10/41/613571041.db2.gz KJBADFYSIHWHQO-DZGCQCFKSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972278803 613571044 /nfs/dbraw/zinc/57/10/44/613571044.db2.gz KJBADFYSIHWHQO-DZGCQCFKSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972278796 613571902 /nfs/dbraw/zinc/57/19/02/613571902.db2.gz KDGMRUFRSMZRJS-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972278796 613571904 /nfs/dbraw/zinc/57/19/04/613571904.db2.gz KDGMRUFRSMZRJS-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO C=CC[N@H+](CN1CC2(COC2)CC1=O)[C@H](C)COC ZINC000872623769 613650932 /nfs/dbraw/zinc/65/09/32/613650932.db2.gz FGPGMFLENLYZEZ-GFCCVEGCSA-N 1 2 268.357 0.716 20 30 CCEDLO C=CC[N@@H+](CN1CC2(COC2)CC1=O)[C@H](C)COC ZINC000872623769 613650935 /nfs/dbraw/zinc/65/09/35/613650935.db2.gz FGPGMFLENLYZEZ-GFCCVEGCSA-N 1 2 268.357 0.716 20 30 CCEDLO C=CC[N@@H+](CN1CC(=O)N(CC)C1=O)[C@H](C)COC ZINC000853532253 613651456 /nfs/dbraw/zinc/65/14/56/613651456.db2.gz BVZQPDSBBLKXOI-LLVKDONJSA-N 1 2 269.345 0.751 20 30 CCEDLO C=CC[N@H+](CN1CC(=O)N(CC)C1=O)[C@H](C)COC ZINC000853532253 613651458 /nfs/dbraw/zinc/65/14/58/613651458.db2.gz BVZQPDSBBLKXOI-LLVKDONJSA-N 1 2 269.345 0.751 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC000950462774 613653664 /nfs/dbraw/zinc/65/36/64/613653664.db2.gz ORIUSJGKBAYDQC-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000970905842 613669373 /nfs/dbraw/zinc/66/93/73/613669373.db2.gz WOHWLFCNSJMSAU-CMPLNLGQSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC000949836804 613710624 /nfs/dbraw/zinc/71/06/24/613710624.db2.gz FGRPSJRELOFWOG-LBPRGKRZSA-N 1 2 260.341 0.910 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000948915384 613711368 /nfs/dbraw/zinc/71/13/68/613711368.db2.gz QXNAJIMZROQCKB-GFCCVEGCSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC000950624095 613713893 /nfs/dbraw/zinc/71/38/93/613713893.db2.gz YCISZJZVSOCHBE-UHFFFAOYSA-N 1 2 290.367 0.295 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC000949593941 613714053 /nfs/dbraw/zinc/71/40/53/613714053.db2.gz XLRQWNMLLVZPQL-UHFFFAOYSA-N 1 2 276.340 0.743 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC000949624171 613717769 /nfs/dbraw/zinc/71/77/69/613717769.db2.gz ZYLJDCRPIQNNFH-UHFFFAOYSA-N 1 2 272.312 0.068 20 30 CCEDLO C=CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819751124 613721344 /nfs/dbraw/zinc/72/13/44/613721344.db2.gz QORMPNSBYITAIZ-SNVBAGLBSA-N 1 2 286.343 0.353 20 30 CCEDLO C=CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819751124 613721355 /nfs/dbraw/zinc/72/13/55/613721355.db2.gz QORMPNSBYITAIZ-SNVBAGLBSA-N 1 2 286.343 0.353 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC000798624096 613803281 /nfs/dbraw/zinc/80/32/81/613803281.db2.gz ZLBBHSMZXKILGU-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000798624096 613803282 /nfs/dbraw/zinc/80/32/82/613803282.db2.gz ZLBBHSMZXKILGU-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002255 613851253 /nfs/dbraw/zinc/85/12/53/613851253.db2.gz ZDQQHALTULOPFT-ZJUUUORDSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002255 613851254 /nfs/dbraw/zinc/85/12/54/613851254.db2.gz ZDQQHALTULOPFT-ZJUUUORDSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280174 613857144 /nfs/dbraw/zinc/85/71/44/613857144.db2.gz BWKFYFCOUCPAMY-WDEREUQCSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280174 613857145 /nfs/dbraw/zinc/85/71/45/613857145.db2.gz BWKFYFCOUCPAMY-WDEREUQCSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)CC#N ZINC000884453288 613877440 /nfs/dbraw/zinc/87/74/40/613877440.db2.gz KOHZTVWIHBJWDQ-UWVGGRQHSA-N 1 2 253.302 0.194 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](OC(C)C)C1 ZINC000884383197 613877527 /nfs/dbraw/zinc/87/75/27/613877527.db2.gz CGONKTNXWNPNFH-STQMWFEESA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](COCC)C1 ZINC000884138414 613877655 /nfs/dbraw/zinc/87/76/55/613877655.db2.gz NQNVRVMACGVBFU-OLZOCXBDSA-N 1 2 298.383 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000884251964 613877755 /nfs/dbraw/zinc/87/77/55/613877755.db2.gz XSKHWZRIIXLXLC-MXWKQRLJSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000884316373 613877787 /nfs/dbraw/zinc/87/77/87/613877787.db2.gz QWCOKXWETRKIRN-WOPDTQHZSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(CC)CC ZINC000884069084 613878130 /nfs/dbraw/zinc/87/81/30/613878130.db2.gz QBNDVGNZLINHIB-NSHDSACASA-N 1 2 256.346 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CC(C)(C)OC ZINC000884153643 613878475 /nfs/dbraw/zinc/87/84/75/613878475.db2.gz OZIAXVIJYZBLKA-QWRGUYRKSA-N 1 2 286.372 0.753 20 30 CCEDLO C=CCOCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935302054 613881021 /nfs/dbraw/zinc/88/10/21/613881021.db2.gz QILJDONBQPYEKG-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000830035711 614326343 /nfs/dbraw/zinc/32/63/43/614326343.db2.gz PZVSAYPRMVNIQW-ZDUSSCGKSA-N 1 2 250.342 0.579 20 30 CCEDLO CC1(C)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H]1C#N ZINC000867832449 614526866 /nfs/dbraw/zinc/52/68/66/614526866.db2.gz MZBILQZQDDQWND-MNOVXSKESA-N 1 2 262.313 0.984 20 30 CCEDLO CC1(C)OC[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000851798178 614820544 /nfs/dbraw/zinc/82/05/44/614820544.db2.gz OTLYLVLRWSMVFK-CQSZACIVSA-N 1 2 297.399 0.686 20 30 CCEDLO CCN(CC#N)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906400836 614923273 /nfs/dbraw/zinc/92/32/73/614923273.db2.gz GVNOKLKBXYZVCF-UHFFFAOYSA-N 1 2 290.367 0.806 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931948186 615022071 /nfs/dbraw/zinc/02/20/71/615022071.db2.gz ICSNKMHTKZMQPD-LBPRGKRZSA-N 1 2 291.355 0.930 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931948186 615022073 /nfs/dbraw/zinc/02/20/73/615022073.db2.gz ICSNKMHTKZMQPD-LBPRGKRZSA-N 1 2 291.355 0.930 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805470899 615172385 /nfs/dbraw/zinc/17/23/85/615172385.db2.gz YTHUSOHIGBANAJ-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805470899 615172388 /nfs/dbraw/zinc/17/23/88/615172388.db2.gz YTHUSOHIGBANAJ-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 ZINC000805478830 615185409 /nfs/dbraw/zinc/18/54/09/615185409.db2.gz ZHNUJWRRNXGAJB-NSHDSACASA-N 1 2 297.355 0.011 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 ZINC000805478830 615185410 /nfs/dbraw/zinc/18/54/10/615185410.db2.gz ZHNUJWRRNXGAJB-NSHDSACASA-N 1 2 297.355 0.011 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886081527 615304878 /nfs/dbraw/zinc/30/48/78/615304878.db2.gz RKRHSZAALVHZCM-STQMWFEESA-N 1 2 298.383 0.941 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886081527 615304880 /nfs/dbraw/zinc/30/48/80/615304880.db2.gz RKRHSZAALVHZCM-STQMWFEESA-N 1 2 298.383 0.941 20 30 CCEDLO CCN1C[C@@H](C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)OC1=O ZINC000846834963 615343339 /nfs/dbraw/zinc/34/33/39/615343339.db2.gz GQFLKBXXZTYSFU-KGLIPLIRSA-N 1 2 294.399 0.993 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852156115 615470614 /nfs/dbraw/zinc/47/06/14/615470614.db2.gz IVUNYJGGSTZBOG-JSGCOSHPSA-N 1 2 261.325 0.641 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)CC#N ZINC000928646564 615479396 /nfs/dbraw/zinc/47/93/96/615479396.db2.gz CDYNQXDDESSYJC-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC#N ZINC000875541217 615567475 /nfs/dbraw/zinc/56/74/75/615567475.db2.gz XWOJUIQPOQATHF-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC#N ZINC000875541217 615567476 /nfs/dbraw/zinc/56/74/76/615567476.db2.gz XWOJUIQPOQATHF-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO CCn1c[nH+]cc1CN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000897064172 615630815 /nfs/dbraw/zinc/63/08/15/615630815.db2.gz RAWQKPLNSJYQNI-YPMHNXCESA-N 1 2 294.380 0.273 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)cnn1 ZINC000895801196 615720688 /nfs/dbraw/zinc/72/06/88/615720688.db2.gz MRUOGXTUAYDDIA-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CCc1nc(CN2CC[NH+](C[C@H](O)CC#N)CC2)no1 ZINC000809576150 615742503 /nfs/dbraw/zinc/74/25/03/615742503.db2.gz JEHWVLRVUCEQSR-LLVKDONJSA-N 1 2 279.344 0.024 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971221831 615752780 /nfs/dbraw/zinc/75/27/80/615752780.db2.gz RHTBEUHYHKPFJH-VXGBXAGGSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971221831 615752781 /nfs/dbraw/zinc/75/27/81/615752781.db2.gz RHTBEUHYHKPFJH-VXGBXAGGSA-N 1 2 290.371 0.490 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967945206 615813374 /nfs/dbraw/zinc/81/33/74/615813374.db2.gz UPUVHKWWQNTVRG-NXEZZACHSA-N 1 2 277.328 0.482 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC(NCC#N)CC1 ZINC000963955922 615826932 /nfs/dbraw/zinc/82/69/32/615826932.db2.gz VYGGZQJRQOZGCW-UHFFFAOYSA-N 1 2 275.356 0.835 20 30 CCEDLO CN(C)C(=S)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872350004 615838555 /nfs/dbraw/zinc/83/85/55/615838555.db2.gz KQMOJHMSDMQPEU-SNVBAGLBSA-N 1 2 272.443 0.990 20 30 CCEDLO CN(C)C(=S)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872350004 615838556 /nfs/dbraw/zinc/83/85/56/615838556.db2.gz KQMOJHMSDMQPEU-SNVBAGLBSA-N 1 2 272.443 0.990 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)C1(S(C)(=O)=O)CCCC1 ZINC000913517702 615857704 /nfs/dbraw/zinc/85/77/04/615857704.db2.gz MHEVHOXNMSHLPP-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000913520984 615860600 /nfs/dbraw/zinc/86/06/00/615860600.db2.gz GTYQFTCTPAJIMA-UHFFFAOYSA-N 1 2 277.280 0.595 20 30 CCEDLO CN(C)c1cc(Cn2cncc(C#N)c2=O)cc[nH+]1 ZINC000809970390 616006300 /nfs/dbraw/zinc/00/63/00/616006300.db2.gz XLCNKYBTUPLTCO-UHFFFAOYSA-N 1 2 255.281 0.624 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820093 616040286 /nfs/dbraw/zinc/04/02/86/616040286.db2.gz BITZYWOSXOAQOA-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@@H](CO)C1 ZINC000912750522 616229319 /nfs/dbraw/zinc/22/93/19/616229319.db2.gz FLWQDBASTZZXEV-LLVKDONJSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@@H](CO)C1 ZINC000912750522 616229320 /nfs/dbraw/zinc/22/93/20/616229320.db2.gz FLWQDBASTZZXEV-LLVKDONJSA-N 1 2 298.346 0.788 20 30 CCEDLO COC(=O)CCN(CC#N)Cc1[nH]c(C)c(C)[nH+]1 ZINC000877710362 616548499 /nfs/dbraw/zinc/54/84/99/616548499.db2.gz JLNFXWQHFUDAIQ-UHFFFAOYSA-N 1 2 250.302 0.915 20 30 CCEDLO COC(=O)c1cc(C[NH2+][C@@H]2CCCN(O)C2=O)oc1C ZINC000895162256 616855974 /nfs/dbraw/zinc/85/59/74/616855974.db2.gz JNPDLXQKKQARHQ-LLVKDONJSA-N 1 2 282.296 0.844 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328910 616908911 /nfs/dbraw/zinc/90/89/11/616908911.db2.gz PKKWZLACZLCPRQ-DZGCQCFKSA-N 1 2 275.352 0.946 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328910 616908914 /nfs/dbraw/zinc/90/89/14/616908914.db2.gz PKKWZLACZLCPRQ-DZGCQCFKSA-N 1 2 275.352 0.946 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001026324956 625398544 /nfs/dbraw/zinc/39/85/44/625398544.db2.gz RYZZTHWPKYQGDW-BFHYXJOUSA-N 1 2 287.367 0.623 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972338459 622770506 /nfs/dbraw/zinc/77/05/06/622770506.db2.gz GIGYGWXIQYSLIG-CJNGLKHVSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972338459 622770512 /nfs/dbraw/zinc/77/05/12/622770512.db2.gz GIGYGWXIQYSLIG-CJNGLKHVSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCC(=O)N1 ZINC001017932133 623637679 /nfs/dbraw/zinc/63/76/79/623637679.db2.gz CEOLSUSFDVQCDJ-HZSPNIEDSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCC(=O)N1 ZINC001017932133 623637686 /nfs/dbraw/zinc/63/76/86/623637686.db2.gz CEOLSUSFDVQCDJ-HZSPNIEDSA-N 1 2 289.379 0.354 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001018633692 623700994 /nfs/dbraw/zinc/70/09/94/623700994.db2.gz ZDAYVTVUQCKZDE-ONGXEEELSA-N 1 2 289.339 0.797 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388818 624462806 /nfs/dbraw/zinc/46/28/06/624462806.db2.gz NYZIGIFYFSBDGH-XYPYZODXSA-N 1 2 269.308 0.708 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000969996518 624569128 /nfs/dbraw/zinc/56/91/28/624569128.db2.gz JINAEKOEBSTPST-RYUDHWBXSA-N 1 2 287.367 0.406 20 30 CCEDLO Cc1ccccc1CNC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121324576 624848072 /nfs/dbraw/zinc/84/80/72/624848072.db2.gz JCBDZYPNIXAEEZ-LLVKDONJSA-N 1 2 279.340 0.671 20 30 CCEDLO Cc1nonc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027335761 625836669 /nfs/dbraw/zinc/83/66/69/625836669.db2.gz JTMOFWSZSRXSJI-CMPLNLGQSA-N 1 2 291.355 0.961 20 30 CCEDLO Cc1nonc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027335761 625836676 /nfs/dbraw/zinc/83/66/76/625836676.db2.gz JTMOFWSZSRXSJI-CMPLNLGQSA-N 1 2 291.355 0.961 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027336396 625836841 /nfs/dbraw/zinc/83/68/41/625836841.db2.gz PYWNLFOPLLWYBM-DGCLKSJQSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027336396 625836848 /nfs/dbraw/zinc/83/68/48/625836848.db2.gz PYWNLFOPLLWYBM-DGCLKSJQSA-N 1 2 290.371 0.398 20 30 CCEDLO COC(=O)Cn1cc(C(=O)/C=C\c2c[nH+]cn2C)nn1 ZINC000905086770 634790221 /nfs/dbraw/zinc/79/02/21/634790221.db2.gz YJVCPDHQYHUJPW-ARJAWSKDSA-N 1 2 275.268 0.081 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000978742328 630841504 /nfs/dbraw/zinc/84/15/04/630841504.db2.gz IIPFQNLPEPZSBJ-KSTCHIGDSA-N 1 2 299.378 0.341 20 30 CCEDLO N#Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])s1 ZINC000894399678 631752457 /nfs/dbraw/zinc/75/24/57/631752457.db2.gz YQEKOWGWZUWDKI-SECBINFHSA-N 1 2 294.336 0.783 20 30 CCEDLO N#Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])s1 ZINC000894399678 631752462 /nfs/dbraw/zinc/75/24/62/631752462.db2.gz YQEKOWGWZUWDKI-SECBINFHSA-N 1 2 294.336 0.783 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000968752198 650027939 /nfs/dbraw/zinc/02/79/39/650027939.db2.gz KAILFTSBQKAWMZ-GFCCVEGCSA-N 1 2 287.367 0.476 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895959796 632181175 /nfs/dbraw/zinc/18/11/75/632181175.db2.gz HIRKIUNZUNUOFR-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007502516 650081109 /nfs/dbraw/zinc/08/11/09/650081109.db2.gz LCMWUHWNOCKHHX-GFCCVEGCSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007502516 650081110 /nfs/dbraw/zinc/08/11/10/650081110.db2.gz LCMWUHWNOCKHHX-GFCCVEGCSA-N 1 2 290.367 0.354 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008184604 650104221 /nfs/dbraw/zinc/10/42/21/650104221.db2.gz UJDAYSKQXARWGP-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008184604 650104222 /nfs/dbraw/zinc/10/42/22/650104222.db2.gz UJDAYSKQXARWGP-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502256 633614798 /nfs/dbraw/zinc/61/47/98/633614798.db2.gz MQMUWLLJKLKBPD-QWRGUYRKSA-N 1 2 294.334 0.261 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502256 633614803 /nfs/dbraw/zinc/61/48/03/633614803.db2.gz MQMUWLLJKLKBPD-QWRGUYRKSA-N 1 2 294.334 0.261 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009242944 650140992 /nfs/dbraw/zinc/14/09/92/650140992.db2.gz GJJQSDCTBDFLII-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009242944 650140994 /nfs/dbraw/zinc/14/09/94/650140994.db2.gz GJJQSDCTBDFLII-QWRGUYRKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901322351 634231929 /nfs/dbraw/zinc/23/19/29/634231929.db2.gz GQGCJOWQBKDOAF-XXYUJHKVSA-N 1 2 282.384 0.566 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403870 650218530 /nfs/dbraw/zinc/21/85/30/650218530.db2.gz CDYQZGXKWLALIA-NSHDSACASA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403870 650218534 /nfs/dbraw/zinc/21/85/34/650218534.db2.gz CDYQZGXKWLALIA-NSHDSACASA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010840139 650269258 /nfs/dbraw/zinc/26/92/58/650269258.db2.gz KLLZFPPEJSTIKP-BDAKNGLRSA-N 1 2 273.720 0.038 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010840139 650269259 /nfs/dbraw/zinc/26/92/59/650269259.db2.gz KLLZFPPEJSTIKP-BDAKNGLRSA-N 1 2 273.720 0.038 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992326390 637365046 /nfs/dbraw/zinc/36/50/46/637365046.db2.gz GJDWRRFPWBFTJA-GXFFZTMASA-N 1 2 259.313 0.165 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc[nH]n3)CCC[C@H]12 ZINC000992326390 637365050 /nfs/dbraw/zinc/36/50/50/637365050.db2.gz GJDWRRFPWBFTJA-GXFFZTMASA-N 1 2 259.313 0.165 20 30 CCEDLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000913900437 637462499 /nfs/dbraw/zinc/46/24/99/637462499.db2.gz VLQBKEAPGLIFMH-STQMWFEESA-N 1 2 290.371 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001015290322 637543438 /nfs/dbraw/zinc/54/34/38/637543438.db2.gz MWFGWNOHJHZVJF-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001015290322 637543450 /nfs/dbraw/zinc/54/34/50/637543450.db2.gz MWFGWNOHJHZVJF-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992926819 637640534 /nfs/dbraw/zinc/64/05/34/637640534.db2.gz UOIBNOKYPWBNTK-HZSPNIEDSA-N 1 2 287.367 0.623 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC000993370702 637796294 /nfs/dbraw/zinc/79/62/94/637796294.db2.gz WOFBHTKJNZXJNR-CMPLNLGQSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC000993370702 637796299 /nfs/dbraw/zinc/79/62/99/637796299.db2.gz WOFBHTKJNZXJNR-CMPLNLGQSA-N 1 2 286.397 0.186 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC000915826909 637797839 /nfs/dbraw/zinc/79/78/39/637797839.db2.gz FFUFLVPFJQGZBQ-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC000915826909 637797834 /nfs/dbraw/zinc/79/78/34/637797834.db2.gz FFUFLVPFJQGZBQ-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1CC#N ZINC000993886009 637851894 /nfs/dbraw/zinc/85/18/94/637851894.db2.gz KYJVZPAVDNPWKH-ZYHUDNBSSA-N 1 2 261.329 0.445 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000159707 639046564 /nfs/dbraw/zinc/04/65/64/639046564.db2.gz NKMFUJULNFDCKM-NWDGAFQWSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014918440 650502835 /nfs/dbraw/zinc/50/28/35/650502835.db2.gz APCUZJMNUVPKJB-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014918440 650502839 /nfs/dbraw/zinc/50/28/39/650502839.db2.gz APCUZJMNUVPKJB-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001003447602 639546656 /nfs/dbraw/zinc/54/66/56/639546656.db2.gz ZBMILZWLEILAAF-UHFFFAOYSA-N 1 2 284.751 0.157 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015162406 650534253 /nfs/dbraw/zinc/53/42/53/650534253.db2.gz RYEQVFGLZNOSFF-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001015162406 650534255 /nfs/dbraw/zinc/53/42/55/650534255.db2.gz RYEQVFGLZNOSFF-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533421 650577977 /nfs/dbraw/zinc/57/79/77/650577977.db2.gz XMGLSNXYVBBIIC-QWRGUYRKSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533421 650577979 /nfs/dbraw/zinc/57/79/79/650577979.db2.gz XMGLSNXYVBBIIC-QWRGUYRKSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533420 650578251 /nfs/dbraw/zinc/57/82/51/650578251.db2.gz XMGLSNXYVBBIIC-MNOVXSKESA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001015533420 650578254 /nfs/dbraw/zinc/57/82/54/650578254.db2.gz XMGLSNXYVBBIIC-MNOVXSKESA-N 1 2 285.775 0.550 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000801910960 640673661 /nfs/dbraw/zinc/67/36/61/640673661.db2.gz QUCHUAUBORWRBM-ZDUSSCGKSA-N 1 2 280.372 0.748 20 30 CCEDLO C[C@H](C#N)OCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931840 640677021 /nfs/dbraw/zinc/67/70/21/640677021.db2.gz BKDOVVHOENDBRF-ZYHUDNBSSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931840 640677023 /nfs/dbraw/zinc/67/70/23/640677023.db2.gz BKDOVVHOENDBRF-ZYHUDNBSSA-N 1 2 272.370 0.567 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000801942532 640677976 /nfs/dbraw/zinc/67/79/76/640677976.db2.gz SSQNFSDWMSAVOO-UPJWGTAASA-N 1 2 266.341 0.985 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000801942532 640677979 /nfs/dbraw/zinc/67/79/79/640677979.db2.gz SSQNFSDWMSAVOO-UPJWGTAASA-N 1 2 266.341 0.985 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000801942520 640678288 /nfs/dbraw/zinc/67/82/88/640678288.db2.gz SSQNFSDWMSAVOO-AGIUHOORSA-N 1 2 266.341 0.985 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000801942520 640678295 /nfs/dbraw/zinc/67/82/95/640678295.db2.gz SSQNFSDWMSAVOO-AGIUHOORSA-N 1 2 266.341 0.985 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001015661478 650603489 /nfs/dbraw/zinc/60/34/89/650603489.db2.gz BGYOHWSJEDJFBL-LLVKDONJSA-N 1 2 265.357 0.279 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001015661478 650603493 /nfs/dbraw/zinc/60/34/93/650603493.db2.gz BGYOHWSJEDJFBL-LLVKDONJSA-N 1 2 265.357 0.279 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015694697 650610868 /nfs/dbraw/zinc/61/08/68/650610868.db2.gz BCPDMZXHUIFLPL-MFKMUULPSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015694697 650610869 /nfs/dbraw/zinc/61/08/69/650610869.db2.gz BCPDMZXHUIFLPL-MFKMUULPSA-N 1 2 285.775 0.456 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015692257 650610931 /nfs/dbraw/zinc/61/09/31/650610931.db2.gz ZLBCZRXIFZPQED-GHMZBOCLSA-N 1 2 273.340 0.544 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001015810665 650633584 /nfs/dbraw/zinc/63/35/84/650633584.db2.gz PCQXKPUELANTTM-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001015810665 650633588 /nfs/dbraw/zinc/63/35/88/650633588.db2.gz PCQXKPUELANTTM-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015991460 650670601 /nfs/dbraw/zinc/67/06/01/650670601.db2.gz BLPPEMFSHVUNTN-MNOVXSKESA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015991460 650670603 /nfs/dbraw/zinc/67/06/03/650670603.db2.gz BLPPEMFSHVUNTN-MNOVXSKESA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015991460 650670606 /nfs/dbraw/zinc/67/06/06/650670606.db2.gz BLPPEMFSHVUNTN-MNOVXSKESA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015991460 650670608 /nfs/dbraw/zinc/67/06/08/650670608.db2.gz BLPPEMFSHVUNTN-MNOVXSKESA-N 1 2 275.356 0.286 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119219 650683806 /nfs/dbraw/zinc/68/38/06/650683806.db2.gz HTNLZCVJYSXZBO-STQMWFEESA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119219 650683807 /nfs/dbraw/zinc/68/38/07/650683807.db2.gz HTNLZCVJYSXZBO-STQMWFEESA-N 1 2 299.802 0.798 20 30 CCEDLO N#Cc1cccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000832198246 642457286 /nfs/dbraw/zinc/45/72/86/642457286.db2.gz LMARERQOIWWAMP-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn(C)nc1C ZINC001017623594 650814334 /nfs/dbraw/zinc/81/43/34/650814334.db2.gz YVUWPJIVBIJFPN-GASCZTMLSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn(C)nc1C ZINC001017623594 650814335 /nfs/dbraw/zinc/81/43/35/650814335.db2.gz YVUWPJIVBIJFPN-GASCZTMLSA-N 1 2 286.379 0.579 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001017639123 650815613 /nfs/dbraw/zinc/81/56/13/650815613.db2.gz HAWNKENYZWWLLI-TXEJJXNPSA-N 1 2 288.351 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001017639123 650815616 /nfs/dbraw/zinc/81/56/16/650815616.db2.gz HAWNKENYZWWLLI-TXEJJXNPSA-N 1 2 288.351 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001018105274 650843703 /nfs/dbraw/zinc/84/37/03/650843703.db2.gz IBEVXZPZWAKBGP-GUTXKFCHSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001018105274 650843707 /nfs/dbraw/zinc/84/37/07/650843707.db2.gz IBEVXZPZWAKBGP-GUTXKFCHSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001018179457 650847073 /nfs/dbraw/zinc/84/70/73/650847073.db2.gz GYEKPWNJDUKVSX-BETUJISGSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001018179457 650847074 /nfs/dbraw/zinc/84/70/74/650847074.db2.gz GYEKPWNJDUKVSX-BETUJISGSA-N 1 2 272.352 0.271 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)CCC1 ZINC000852437947 643964776 /nfs/dbraw/zinc/96/47/76/643964776.db2.gz KLYFTNZMUXMDTC-NSHDSACASA-N 1 2 292.339 0.075 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)CCC1 ZINC000852437947 643964780 /nfs/dbraw/zinc/96/47/80/643964780.db2.gz KLYFTNZMUXMDTC-NSHDSACASA-N 1 2 292.339 0.075 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000852673630 643986231 /nfs/dbraw/zinc/98/62/31/643986231.db2.gz VALXXJRSPHVDCJ-UHFFFAOYSA-N 1 2 262.313 0.884 20 30 CCEDLO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018633139 650887156 /nfs/dbraw/zinc/88/71/56/650887156.db2.gz UPNOMKKMZSUFLW-KOLCDFICSA-N 1 2 262.313 0.833 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1=O ZINC000853558136 644120794 /nfs/dbraw/zinc/12/07/94/644120794.db2.gz OGAZLCWCBPDZSW-OLZOCXBDSA-N 1 2 286.335 0.278 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1=O ZINC000853558136 644120797 /nfs/dbraw/zinc/12/07/97/644120797.db2.gz OGAZLCWCBPDZSW-OLZOCXBDSA-N 1 2 286.335 0.278 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@](C)(C#N)C2)C1 ZINC000853596557 644127081 /nfs/dbraw/zinc/12/70/81/644127081.db2.gz IZTLBJUGKPTIAZ-IUODEOHRSA-N 1 2 287.367 0.929 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)ccc1F ZINC000854896461 644270807 /nfs/dbraw/zinc/27/08/07/644270807.db2.gz LAKVCKSFJSNEQN-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)ccc1F ZINC000854896461 644270813 /nfs/dbraw/zinc/27/08/13/644270813.db2.gz LAKVCKSFJSNEQN-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCn3c[nH+]cc32)nc1 ZINC000857981671 644588072 /nfs/dbraw/zinc/58/80/72/644588072.db2.gz AMOIAGUUQBUNSQ-LLVKDONJSA-N 1 2 282.307 0.823 20 30 CCEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000859330839 644688363 /nfs/dbraw/zinc/68/83/63/644688363.db2.gz LDSUSQZEFCMXTA-ZDUSSCGKSA-N 1 2 272.356 0.971 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NCC#N)C1 ZINC001019722838 651000903 /nfs/dbraw/zinc/00/09/03/651000903.db2.gz UPESCPNLQJYNMZ-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO C[C@@H](NC(=O)c1coc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000865179990 645334487 /nfs/dbraw/zinc/33/44/87/645334487.db2.gz HQBQACIPVODWOM-GHMZBOCLSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@]1(C#N)CCCOC1)[NH+]1CCOCC1 ZINC000865178787 645335138 /nfs/dbraw/zinc/33/51/38/645335138.db2.gz FWHVXVYZGIFWGO-GUTXKFCHSA-N 1 2 295.383 0.532 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001020314750 651058830 /nfs/dbraw/zinc/05/88/30/651058830.db2.gz UZKWDIMHVCDRKH-IJLUTSLNSA-N 1 2 273.340 0.206 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879050792 647020156 /nfs/dbraw/zinc/02/01/56/647020156.db2.gz QJSYEGISBMUTRS-JQWIXIFHSA-N 1 2 266.320 0.965 20 30 CCEDLO C[C@H](C#N)OCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000881323401 647302806 /nfs/dbraw/zinc/30/28/06/647302806.db2.gz IFPVNQHUVNOPCP-GFCCVEGCSA-N 1 2 279.344 0.081 20 30 CCEDLO Cc1cc(C[NH2+]Cc2nnc3n2CCNC3=O)ccc1C#N ZINC000883294940 647509438 /nfs/dbraw/zinc/50/94/38/647509438.db2.gz QKSWFOHAOVEXGM-UHFFFAOYSA-N 1 2 296.334 0.491 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NC1CCCC1 ZINC000137640746 647962968 /nfs/dbraw/zinc/96/29/68/647962968.db2.gz WMAAVYBTDPNEJU-UHFFFAOYSA-N 1 2 276.340 0.972 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000887690050 648144019 /nfs/dbraw/zinc/14/40/19/648144019.db2.gz FARAAKBHRGBGDY-CYBMUJFWSA-N 1 2 260.297 0.635 20 30 CCEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930643719 648885970 /nfs/dbraw/zinc/88/59/70/648885970.db2.gz YPNZRSHTUVROIS-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)CC#N ZINC000930643719 648885976 /nfs/dbraw/zinc/88/59/76/648885976.db2.gz YPNZRSHTUVROIS-GHMZBOCLSA-N 1 2 260.359 0.160 20 30 CCEDLO CC(C)(C#N)CCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930734988 648895299 /nfs/dbraw/zinc/89/52/99/648895299.db2.gz UMICXYCVXMTHED-UHFFFAOYSA-N 1 2 259.375 0.679 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@H+](CCn3cnnn3)CCO2)cc1 ZINC000933633026 649131162 /nfs/dbraw/zinc/13/11/62/649131162.db2.gz UOCLEWJERGJQED-CQSZACIVSA-N 1 2 284.323 0.618 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@@H+](CCn3cnnn3)CCO2)cc1 ZINC000933633026 649131164 /nfs/dbraw/zinc/13/11/64/649131164.db2.gz UOCLEWJERGJQED-CQSZACIVSA-N 1 2 284.323 0.618 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC000954932953 649678161 /nfs/dbraw/zinc/67/81/61/649678161.db2.gz LZNMNIBIOUJARZ-VIFPVBQESA-N 1 2 289.339 0.090 20 30 CCEDLO Cc1ccccc1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266252826 790330895 /nfs/dbraw/zinc/33/08/95/790330895.db2.gz BWNYCXAEJHTBKT-UHFFFAOYSA-N 1 2 288.351 0.296 20 30 CCEDLO Cc1ccccc1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266252826 790330901 /nfs/dbraw/zinc/33/09/01/790330901.db2.gz BWNYCXAEJHTBKT-UHFFFAOYSA-N 1 2 288.351 0.296 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001266271252 790370590 /nfs/dbraw/zinc/37/05/90/790370590.db2.gz HSOGUKNXSNQZFC-CQSZACIVSA-N 1 2 281.356 0.858 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001266271252 790370592 /nfs/dbraw/zinc/37/05/92/790370592.db2.gz HSOGUKNXSNQZFC-CQSZACIVSA-N 1 2 281.356 0.858 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@H](C(N)=O)C3)c12 ZINC001167074653 790438238 /nfs/dbraw/zinc/43/82/38/790438238.db2.gz AGYMNZKINLMNLI-JTQLQIEISA-N 1 2 271.280 0.125 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CSCC#N)C2)on1 ZINC001266302496 790468305 /nfs/dbraw/zinc/46/83/05/790468305.db2.gz QOJOTKIJNQNLLW-LLVKDONJSA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CSCC#N)C2)on1 ZINC001266302496 790468308 /nfs/dbraw/zinc/46/83/08/790468308.db2.gz QOJOTKIJNQNLLW-LLVKDONJSA-N 1 2 294.380 0.930 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)C1 ZINC001266314846 790490058 /nfs/dbraw/zinc/49/00/58/790490058.db2.gz LFVNOYJNVOCRRW-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)C1 ZINC001266314846 790490064 /nfs/dbraw/zinc/49/00/64/790490064.db2.gz LFVNOYJNVOCRRW-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCCCOC ZINC001266498905 790795698 /nfs/dbraw/zinc/79/56/98/790795698.db2.gz IHAMTXJELMLUGH-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCCCOC ZINC001266498905 790795704 /nfs/dbraw/zinc/79/57/04/790795704.db2.gz IHAMTXJELMLUGH-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCC4)[C@H]2C1 ZINC001083208618 791005641 /nfs/dbraw/zinc/00/56/41/791005641.db2.gz VHWANEUUBHUSHB-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCC4)[C@H]2C1 ZINC001083208618 791005649 /nfs/dbraw/zinc/00/56/49/791005649.db2.gz VHWANEUUBHUSHB-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230681840 805647076 /nfs/dbraw/zinc/64/70/76/805647076.db2.gz OYTIABJMUUVPJR-CYBMUJFWSA-N 1 2 268.357 0.205 20 30 CCEDLO CCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230681840 805647078 /nfs/dbraw/zinc/64/70/78/805647078.db2.gz OYTIABJMUUVPJR-CYBMUJFWSA-N 1 2 268.357 0.205 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001231121728 805735786 /nfs/dbraw/zinc/73/57/86/805735786.db2.gz HMMHIQGRSSVETI-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001231121728 805735792 /nfs/dbraw/zinc/73/57/92/805735792.db2.gz HMMHIQGRSSVETI-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249454 805760833 /nfs/dbraw/zinc/76/08/33/805760833.db2.gz ZYXNAUCONUNZKS-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249454 805760838 /nfs/dbraw/zinc/76/08/38/805760838.db2.gz ZYXNAUCONUNZKS-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001231245754 805760037 /nfs/dbraw/zinc/76/00/37/805760037.db2.gz AXCOFLJDKFZHLI-NEPJUHHUSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1Cc1c[nH+]cn1C ZINC001231245758 805760052 /nfs/dbraw/zinc/76/00/52/805760052.db2.gz AXCOFLJDKFZHLI-NWDGAFQWSA-N 1 2 275.356 0.612 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N)C1CCOCC1 ZINC001231330392 805776987 /nfs/dbraw/zinc/77/69/87/805776987.db2.gz CSRFGEJFLCCPDU-CYBMUJFWSA-N 1 2 288.351 0.891 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001277636286 805913887 /nfs/dbraw/zinc/91/38/87/805913887.db2.gz HPHIKSWLTSFGFV-UHFFFAOYSA-N 1 2 277.372 0.633 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677267 805969002 /nfs/dbraw/zinc/96/90/02/805969002.db2.gz ALLPWHUQQNXEBP-ZDUSSCGKSA-N 1 2 259.309 0.974 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677267 805969007 /nfs/dbraw/zinc/96/90/07/805969007.db2.gz ALLPWHUQQNXEBP-ZDUSSCGKSA-N 1 2 259.309 0.974 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCCO1 ZINC001232926132 805996586 /nfs/dbraw/zinc/99/65/86/805996586.db2.gz CLRSPGJGIDOVKA-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCCO1 ZINC001232926132 805996590 /nfs/dbraw/zinc/99/65/90/805996590.db2.gz CLRSPGJGIDOVKA-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001233043791 806013416 /nfs/dbraw/zinc/01/34/16/806013416.db2.gz MQIZWQWVEMXEKZ-UHFFFAOYSA-N 1 2 274.324 0.367 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)C(C)(C)C#N ZINC001143403269 791292429 /nfs/dbraw/zinc/29/24/29/791292429.db2.gz DQIYYNGYIVWDGG-UHFFFAOYSA-N 1 2 250.302 0.695 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)C#N ZINC001143408062 791313191 /nfs/dbraw/zinc/31/31/91/791313191.db2.gz QNKJUELYKMCFIS-JTQLQIEISA-N 1 2 278.312 0.550 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)C#N ZINC001143408062 791313200 /nfs/dbraw/zinc/31/32/00/791313200.db2.gz QNKJUELYKMCFIS-JTQLQIEISA-N 1 2 278.312 0.550 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCN1C ZINC001233386899 806054361 /nfs/dbraw/zinc/05/43/61/806054361.db2.gz MTOOOWWTXLDVRD-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001266936777 791373057 /nfs/dbraw/zinc/37/30/57/791373057.db2.gz WOWDGNOIIKERIG-SNVBAGLBSA-N 1 2 266.370 0.792 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)CSCC#N)C2)n1 ZINC001267004351 791434746 /nfs/dbraw/zinc/43/47/46/791434746.db2.gz KGBOVTAXEBSEAJ-JTQLQIEISA-N 1 2 295.368 0.325 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052680 806174015 /nfs/dbraw/zinc/17/40/15/806174015.db2.gz ZPLKTOAMOSVKLF-OLZOCXBDSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052680 806174018 /nfs/dbraw/zinc/17/40/18/806174018.db2.gz ZPLKTOAMOSVKLF-OLZOCXBDSA-N 1 2 250.342 0.577 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234604577 806283855 /nfs/dbraw/zinc/28/38/55/806283855.db2.gz QZFMQLZVDIZJIQ-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234604577 806283863 /nfs/dbraw/zinc/28/38/63/806283863.db2.gz QZFMQLZVDIZJIQ-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nonc1C ZINC001235699531 806494359 /nfs/dbraw/zinc/49/43/59/806494359.db2.gz YAIAROFCBBBVKS-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nonc1C ZINC001235699531 806494365 /nfs/dbraw/zinc/49/43/65/806494365.db2.gz YAIAROFCBBBVKS-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C=C(C)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278085180 806654031 /nfs/dbraw/zinc/65/40/31/806654031.db2.gz LGZKYFYVMFTZLL-YUMQZZPRSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001278085180 806654033 /nfs/dbraw/zinc/65/40/33/806654033.db2.gz LGZKYFYVMFTZLL-YUMQZZPRSA-N 1 2 272.242 0.530 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]cn3)n2CC)CC1 ZINC001121793735 799069589 /nfs/dbraw/zinc/06/95/89/799069589.db2.gz MNCWHCQLIVMXEI-UHFFFAOYSA-N 1 2 285.355 0.443 20 30 CCEDLO C=CCCC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC001122252011 799180010 /nfs/dbraw/zinc/18/00/10/799180010.db2.gz HZPUYODFDSZOQE-RKDXNWHRSA-N 1 2 278.299 0.983 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122304393 799192426 /nfs/dbraw/zinc/19/24/26/799192426.db2.gz RKJMIRJPYPNINR-LLVKDONJSA-N 1 2 278.356 0.886 20 30 CCEDLO C=CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001122358369 799210973 /nfs/dbraw/zinc/21/09/73/799210973.db2.gz OCADTDBVCDPTPN-UHFFFAOYSA-N 1 2 290.371 0.871 20 30 CCEDLO Cc1nc(C[NH2+]CCNC(=O)CSCC#N)oc1C ZINC001123787950 799475153 /nfs/dbraw/zinc/47/51/53/799475153.db2.gz YOMWNPIHDTYHOL-UHFFFAOYSA-N 1 2 282.369 0.754 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001124133219 799563674 /nfs/dbraw/zinc/56/36/74/799563674.db2.gz LLKVUFQJWYDWOD-GFCCVEGCSA-N 1 2 261.325 0.554 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124488828 799608655 /nfs/dbraw/zinc/60/86/55/799608655.db2.gz VQMFZJZQXBQEIC-SNVBAGLBSA-N 1 2 284.385 0.725 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001124767718 799633804 /nfs/dbraw/zinc/63/38/04/799633804.db2.gz KEYQCWKCEBDUCI-UHFFFAOYSA-N 1 2 293.367 0.962 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC001139373358 799806866 /nfs/dbraw/zinc/80/68/66/799806866.db2.gz RKHMUENVCPRGFW-UHFFFAOYSA-N 1 2 275.352 0.563 20 30 CCEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001150357515 800332927 /nfs/dbraw/zinc/33/29/27/800332927.db2.gz QNAKKEKLNHLHEC-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001150357515 800332935 /nfs/dbraw/zinc/33/29/35/800332935.db2.gz QNAKKEKLNHLHEC-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154061933 800715697 /nfs/dbraw/zinc/71/56/97/800715697.db2.gz CFYYSJIUDMYRAT-CHWSQXEVSA-N 1 2 289.383 0.796 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154079183 800717998 /nfs/dbraw/zinc/71/79/98/800717998.db2.gz VFZGKNQEHWDDOW-OLZOCXBDSA-N 1 2 289.383 0.796 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(N2CCSCC2)ncn1 ZINC001156332260 801151962 /nfs/dbraw/zinc/15/19/62/801151962.db2.gz FZUAKXBFVGAMCY-NSHDSACASA-N 1 2 290.396 0.332 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3c(F)cccn23)CC1 ZINC001156333710 801152196 /nfs/dbraw/zinc/15/21/96/801152196.db2.gz VOOPOTVBMYIFKP-UHFFFAOYSA-N 1 2 289.314 0.812 20 30 CCEDLO N#Cc1ncc(NCc2cc[nH+]c(N)c2)nc1C#N ZINC001156760040 801231445 /nfs/dbraw/zinc/23/14/45/801231445.db2.gz AWCYROGSMTYTGR-UHFFFAOYSA-N 1 2 251.253 0.809 20 30 CCEDLO N#Cc1cc(NS(=O)(=O)c2ccc(C[NH3+])cc2)ncn1 ZINC001161746734 802212966 /nfs/dbraw/zinc/21/29/66/802212966.db2.gz KQKYTVKLBQXPDW-UHFFFAOYSA-N 1 2 289.320 0.608 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C#N)c(C#N)nc1Cl ZINC001161950218 802255685 /nfs/dbraw/zinc/25/56/85/802255685.db2.gz KUUYTBKMGQMBGQ-ZCFIWIBFSA-N 1 2 294.702 0.176 20 30 CCEDLO C=CCS(=O)(=O)NCc1ccc2[nH+]ccn2c1 ZINC001259937062 808810885 /nfs/dbraw/zinc/81/08/85/808810885.db2.gz ZVCFNVMVFQGZKT-UHFFFAOYSA-N 1 2 251.311 0.940 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001264369087 809645069 /nfs/dbraw/zinc/64/50/69/809645069.db2.gz PSDVASLANQTACU-RYUDHWBXSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001264369087 809645071 /nfs/dbraw/zinc/64/50/71/809645071.db2.gz PSDVASLANQTACU-RYUDHWBXSA-N 1 2 281.400 0.995 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C#N)c2C)C[NH2+]1 ZINC001164301932 802713838 /nfs/dbraw/zinc/71/38/38/802713838.db2.gz KOWJCUWOHNDKMX-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)c1c[nH]c2nc(N3CC[NH2+]C[C@H]3C#N)ccc12 ZINC001164642660 802774564 /nfs/dbraw/zinc/77/45/64/802774564.db2.gz XUWRNIRJLFKJPE-SECBINFHSA-N 1 2 285.307 0.651 20 30 CCEDLO CCNC(=O)c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164662469 802777356 /nfs/dbraw/zinc/77/73/56/802777356.db2.gz YHQSFUWHNBGAQF-LLVKDONJSA-N 1 2 259.313 0.133 20 30 CCEDLO C#CCOCCC(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001268828679 813105162 /nfs/dbraw/zinc/10/51/62/813105162.db2.gz JEOYKPWELBXMLY-UHFFFAOYSA-N 1 2 293.392 0.731 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206686974 803279016 /nfs/dbraw/zinc/27/90/16/803279016.db2.gz NTLRNPVIDYBGOR-JHJVBQTASA-N 1 2 294.399 0.499 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206686974 803279017 /nfs/dbraw/zinc/27/90/17/803279017.db2.gz NTLRNPVIDYBGOR-JHJVBQTASA-N 1 2 294.399 0.499 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C ZINC001207108478 803353173 /nfs/dbraw/zinc/35/31/73/803353173.db2.gz CNIXSSUKVQWLQE-ZDUSSCGKSA-N 1 2 276.340 0.186 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C ZINC001207108478 803353179 /nfs/dbraw/zinc/35/31/79/803353179.db2.gz CNIXSSUKVQWLQE-ZDUSSCGKSA-N 1 2 276.340 0.186 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207680286 803435199 /nfs/dbraw/zinc/43/51/99/803435199.db2.gz LFLMVSWFYBTLBY-LBPRGKRZSA-N 1 2 294.355 0.661 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)CC1 ZINC001208512035 803519575 /nfs/dbraw/zinc/51/95/75/803519575.db2.gz SKAGMUWMFNVYRZ-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)CC1 ZINC001208512035 803519581 /nfs/dbraw/zinc/51/95/81/803519581.db2.gz SKAGMUWMFNVYRZ-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO CC[N@H+](CCC#N)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209274428 803586539 /nfs/dbraw/zinc/58/65/39/803586539.db2.gz MHOQSUCZIGFEDQ-GRYCIOLGSA-N 1 2 272.345 0.095 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209274428 803586542 /nfs/dbraw/zinc/58/65/42/803586542.db2.gz MHOQSUCZIGFEDQ-GRYCIOLGSA-N 1 2 272.345 0.095 20 30 CCEDLO COc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001168265492 814951114 /nfs/dbraw/zinc/95/11/14/814951114.db2.gz ZNQHEPHMFWXNEV-KBPBESRZSA-N 1 2 257.337 0.960 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 ZINC001213280265 803688945 /nfs/dbraw/zinc/68/89/45/803688945.db2.gz GGLRXCXAKINYKI-CHWSQXEVSA-N 1 2 286.347 0.201 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 ZINC001213280265 803688946 /nfs/dbraw/zinc/68/89/46/803688946.db2.gz GGLRXCXAKINYKI-CHWSQXEVSA-N 1 2 286.347 0.201 20 30 CCEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccncc1C#N ZINC001214002413 803709516 /nfs/dbraw/zinc/70/95/16/803709516.db2.gz MRAOFDYGLAFEGI-UHFFFAOYSA-N 1 2 257.253 0.898 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C=C(C)C)[C@H]2C1 ZINC001217224809 803878928 /nfs/dbraw/zinc/87/89/28/803878928.db2.gz BMEOZIWRHRYBGX-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C=C(C)C)[C@H]2C1 ZINC001217224809 803878931 /nfs/dbraw/zinc/87/89/31/803878931.db2.gz BMEOZIWRHRYBGX-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217844381 803919897 /nfs/dbraw/zinc/91/98/97/803919897.db2.gz VCKUXCAOSRLJOB-UONOGXRCSA-N 1 2 260.337 0.191 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217844381 803919902 /nfs/dbraw/zinc/91/99/02/803919902.db2.gz VCKUXCAOSRLJOB-UONOGXRCSA-N 1 2 260.337 0.191 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3(COC)CC3)[C@H]2C1 ZINC001217861851 803920950 /nfs/dbraw/zinc/92/09/50/803920950.db2.gz XAIMGVJDUGSXRF-UONOGXRCSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3(COC)CC3)[C@H]2C1 ZINC001217861851 803920956 /nfs/dbraw/zinc/92/09/56/803920956.db2.gz XAIMGVJDUGSXRF-UONOGXRCSA-N 1 2 292.379 0.348 20 30 CCEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC001218580894 804018270 /nfs/dbraw/zinc/01/82/70/804018270.db2.gz BNEPVSBZLVGANX-NSHDSACASA-N 1 2 274.324 0.810 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSCCC)[C@@H](O)C1 ZINC001219276931 804256376 /nfs/dbraw/zinc/25/63/76/804256376.db2.gz DNBJRUMHBRVAHF-NEPJUHHUSA-N 1 2 270.398 0.314 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSCCC)[C@@H](O)C1 ZINC001219276931 804256369 /nfs/dbraw/zinc/25/63/69/804256369.db2.gz DNBJRUMHBRVAHF-NEPJUHHUSA-N 1 2 270.398 0.314 20 30 CCEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219365854 804288236 /nfs/dbraw/zinc/28/82/36/804288236.db2.gz JOXIBBGLOGZTFI-CKLFPEKLSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219365854 804288246 /nfs/dbraw/zinc/28/82/46/804288246.db2.gz JOXIBBGLOGZTFI-CKLFPEKLSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219379811 804292299 /nfs/dbraw/zinc/29/22/99/804292299.db2.gz ZPOQQPLHRHEXIO-GDPRMGEGSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219379811 804292302 /nfs/dbraw/zinc/29/23/02/804292302.db2.gz ZPOQQPLHRHEXIO-GDPRMGEGSA-N 1 2 294.380 0.273 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219706953 804410821 /nfs/dbraw/zinc/41/08/21/804410821.db2.gz WCMKKSAHUDLWJW-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219706953 804410826 /nfs/dbraw/zinc/41/08/26/804410826.db2.gz WCMKKSAHUDLWJW-KGLIPLIRSA-N 1 2 294.395 0.400 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(C#N)cn2)c1 ZINC000313475616 804412848 /nfs/dbraw/zinc/41/28/48/804412848.db2.gz ULVXQFSWDDAKAW-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@@H](O)C1 ZINC001220871431 804685231 /nfs/dbraw/zinc/68/52/31/804685231.db2.gz FQWXYNKEJVUENP-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@@H](O)C1 ZINC001220871431 804685235 /nfs/dbraw/zinc/68/52/35/804685235.db2.gz FQWXYNKEJVUENP-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221231924 804752614 /nfs/dbraw/zinc/75/26/14/804752614.db2.gz DEIHVBJUVSLMDF-VXGBXAGGSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221231924 804752619 /nfs/dbraw/zinc/75/26/19/804752619.db2.gz DEIHVBJUVSLMDF-VXGBXAGGSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001221294513 804769668 /nfs/dbraw/zinc/76/96/68/804769668.db2.gz UYPXCTRMRGTWLE-CHWSQXEVSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001221294513 804769671 /nfs/dbraw/zinc/76/96/71/804769671.db2.gz UYPXCTRMRGTWLE-CHWSQXEVSA-N 1 2 299.802 0.750 20 30 CCEDLO CCC(C)(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001272178567 815038497 /nfs/dbraw/zinc/03/84/97/815038497.db2.gz LKKUWZASGIMPFD-UHFFFAOYSA-N 1 2 296.415 0.843 20 30 CCEDLO CCC(C)(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001272178567 815038504 /nfs/dbraw/zinc/03/85/04/815038504.db2.gz LKKUWZASGIMPFD-UHFFFAOYSA-N 1 2 296.415 0.843 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001222635742 804922253 /nfs/dbraw/zinc/92/22/53/804922253.db2.gz BAVTXCPHCMHFKF-JTQLQIEISA-N 1 2 291.355 0.866 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001276842216 804935230 /nfs/dbraw/zinc/93/52/30/804935230.db2.gz LKUKCAODZDIKFA-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001276842216 804935234 /nfs/dbraw/zinc/93/52/34/804935234.db2.gz LKUKCAODZDIKFA-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001276843132 804936573 /nfs/dbraw/zinc/93/65/73/804936573.db2.gz VDAXDJAAKCNFKN-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001276843132 804936577 /nfs/dbraw/zinc/93/65/77/804936577.db2.gz VDAXDJAAKCNFKN-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001276854387 804943114 /nfs/dbraw/zinc/94/31/14/804943114.db2.gz VQHRFQHVFRBWTD-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001276854387 804943118 /nfs/dbraw/zinc/94/31/18/804943118.db2.gz VQHRFQHVFRBWTD-GFCCVEGCSA-N 1 2 293.371 0.049 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001276942190 805005180 /nfs/dbraw/zinc/00/51/80/805005180.db2.gz TZCAQHVYZXMKMP-AWEZNQCLSA-N 1 2 290.367 0.183 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001276942190 805005189 /nfs/dbraw/zinc/00/51/89/805005189.db2.gz TZCAQHVYZXMKMP-AWEZNQCLSA-N 1 2 290.367 0.183 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001226589016 805252132 /nfs/dbraw/zinc/25/21/32/805252132.db2.gz GRFWWZUSTMZWLG-UHFFFAOYSA-N 1 2 294.355 0.661 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001226640293 805260339 /nfs/dbraw/zinc/26/03/39/805260339.db2.gz LPTYELJXWRUAIK-QWRGUYRKSA-N 1 2 290.371 0.616 20 30 CCEDLO C#CCCc1cc(=O)n(CCC[NH+]2CCOCC2)[nH]1 ZINC001245952014 807102610 /nfs/dbraw/zinc/10/26/10/807102610.db2.gz NLZZZWOTWHTXHL-UHFFFAOYSA-N 1 2 263.341 0.877 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246774805 807375554 /nfs/dbraw/zinc/37/55/54/807375554.db2.gz GVEKSAUACFLIBK-OLZOCXBDSA-N 1 2 267.373 0.084 20 30 CCEDLO C=CCCNC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC001247679272 807477297 /nfs/dbraw/zinc/47/72/97/807477297.db2.gz GIJUCNBYJCIIEY-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCCNC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC001247679272 807477304 /nfs/dbraw/zinc/47/73/04/807477304.db2.gz GIJUCNBYJCIIEY-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO CCc1cc(C#N)ccc1C[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001248752058 807522817 /nfs/dbraw/zinc/52/28/17/807522817.db2.gz VOXIOLBQRPEPJI-UHFFFAOYSA-N 1 2 298.390 0.737 20 30 CCEDLO N#Cc1c(F)ccc(NC[C@H](O)C[NH+]2CCOCC2)c1F ZINC001251025874 807645703 /nfs/dbraw/zinc/64/57/03/807645703.db2.gz HUKRUYWNJIDHEZ-JTQLQIEISA-N 1 2 297.305 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnc3n2)[C@@H](O)C1 ZINC001083474145 815143901 /nfs/dbraw/zinc/14/39/01/815143901.db2.gz QFLYPXADMKPTPP-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnc3n2)[C@@H](O)C1 ZINC001083474145 815143905 /nfs/dbraw/zinc/14/39/05/815143905.db2.gz QFLYPXADMKPTPP-KGLIPLIRSA-N 1 2 296.330 0.038 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252472630 807883009 /nfs/dbraw/zinc/88/30/09/807883009.db2.gz WFWPGMORVXQCKT-LLVKDONJSA-N 1 2 252.314 0.905 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252472630 807883013 /nfs/dbraw/zinc/88/30/13/807883013.db2.gz WFWPGMORVXQCKT-LLVKDONJSA-N 1 2 252.314 0.905 20 30 CCEDLO C=C[C@@](C)(O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001252542148 807904649 /nfs/dbraw/zinc/90/46/49/807904649.db2.gz ARJCRBJSJUTSSR-GFCCVEGCSA-N 1 2 252.318 0.254 20 30 CCEDLO C=C[C@@](C)(O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001252542148 807904654 /nfs/dbraw/zinc/90/46/54/807904654.db2.gz ARJCRBJSJUTSSR-GFCCVEGCSA-N 1 2 252.318 0.254 20 30 CCEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)COC ZINC001252828224 807973374 /nfs/dbraw/zinc/97/33/74/807973374.db2.gz DUSXYQKITSZVHS-RYUDHWBXSA-N 1 2 259.346 0.727 20 30 CCEDLO C=C[C@H](O)CN1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001253583284 808089369 /nfs/dbraw/zinc/08/93/69/808089369.db2.gz ZXXKYGKSWGZBLY-ZDUSSCGKSA-N 1 2 293.415 0.871 20 30 CCEDLO C=C[C@H](O)CN1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001253583284 808089376 /nfs/dbraw/zinc/08/93/76/808089376.db2.gz ZXXKYGKSWGZBLY-ZDUSSCGKSA-N 1 2 293.415 0.871 20 30 CCEDLO C=C[C@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001253611772 808097670 /nfs/dbraw/zinc/09/76/70/808097670.db2.gz TUXWBLSROMROKQ-QWRGUYRKSA-N 1 2 253.302 0.020 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126881462 815180987 /nfs/dbraw/zinc/18/09/87/815180987.db2.gz UOUJFTGAXHSLDW-SECBINFHSA-N 1 2 262.313 0.558 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N(C)[C@H](C)C#N)CC1 ZINC001254412932 808237017 /nfs/dbraw/zinc/23/70/17/808237017.db2.gz YZONUCDGDHSRET-LLVKDONJSA-N 1 2 253.346 0.858 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC001254555190 808260123 /nfs/dbraw/zinc/26/01/23/808260123.db2.gz BIWISVJUKMRHKX-SNVBAGLBSA-N 1 2 253.302 0.859 20 30 CCEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC001254555190 808260126 /nfs/dbraw/zinc/26/01/26/808260126.db2.gz BIWISVJUKMRHKX-SNVBAGLBSA-N 1 2 253.302 0.859 20 30 CCEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001255202652 808331300 /nfs/dbraw/zinc/33/13/00/808331300.db2.gz GPXWDPGEEGTPLH-ZOBORPQBSA-N 1 2 292.383 0.936 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001083515856 815197001 /nfs/dbraw/zinc/19/70/01/815197001.db2.gz AILRHKDXCGZSHQ-OLZOCXBDSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001083515856 815197003 /nfs/dbraw/zinc/19/70/03/815197003.db2.gz AILRHKDXCGZSHQ-OLZOCXBDSA-N 1 2 288.347 0.567 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255358668 808350991 /nfs/dbraw/zinc/35/09/91/808350991.db2.gz WISCBXLKQFWBQV-JHJVBQTASA-N 1 2 265.357 0.906 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1csnn1 ZINC001126899076 815203090 /nfs/dbraw/zinc/20/30/90/815203090.db2.gz IIBSLJIEJPXWKA-UHFFFAOYSA-N 1 2 250.327 0.157 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126899629 815203711 /nfs/dbraw/zinc/20/37/11/815203711.db2.gz VYEDXTWFVRVWDH-SNVBAGLBSA-N 1 2 292.339 0.396 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001278877582 808417926 /nfs/dbraw/zinc/41/79/26/808417926.db2.gz OQIFYCHKNNIKCE-GFCCVEGCSA-N 1 2 264.369 0.609 20 30 CCEDLO CCC(=O)N(CC[N@H+](C)CC(=O)NCC#N)C(C)C ZINC001278889158 808430817 /nfs/dbraw/zinc/43/08/17/808430817.db2.gz MXDGGQRBZRUZHT-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO CCC(=O)N(CC[N@@H+](C)CC(=O)NCC#N)C(C)C ZINC001278889158 808430823 /nfs/dbraw/zinc/43/08/23/808430823.db2.gz MXDGGQRBZRUZHT-UHFFFAOYSA-N 1 2 268.361 0.205 20 30 CCEDLO N#Cc1cnc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)cn1 ZINC001142624043 815205312 /nfs/dbraw/zinc/20/53/12/815205312.db2.gz GBGVRCPKZADPDM-NSHDSACASA-N 1 2 257.297 0.771 20 30 CCEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257224550 808600041 /nfs/dbraw/zinc/60/00/41/808600041.db2.gz MCCPSZKQRXLIIJ-LBPRGKRZSA-N 1 2 273.402 0.938 20 30 CCEDLO CCOC(=O)CCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258119434 808656307 /nfs/dbraw/zinc/65/63/07/808656307.db2.gz HJMGJLHMJHXGMS-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO N#CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001261694714 809056664 /nfs/dbraw/zinc/05/66/64/809056664.db2.gz XHEJTTIJWPHOED-NSHDSACASA-N 1 2 274.324 0.634 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001262905774 809422775 /nfs/dbraw/zinc/42/27/75/809422775.db2.gz ZIODELNWYLGBKQ-NXEZZACHSA-N 1 2 251.334 0.175 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001262905774 809422780 /nfs/dbraw/zinc/42/27/80/809422780.db2.gz ZIODELNWYLGBKQ-NXEZZACHSA-N 1 2 251.334 0.175 20 30 CCEDLO CCn1ncnc1C[N@H+](CC)CCCNC(=O)[C@@H](C)C#N ZINC001265106122 809708886 /nfs/dbraw/zinc/70/88/86/809708886.db2.gz FPACKFKKYWLVHX-LBPRGKRZSA-N 1 2 292.387 0.786 20 30 CCEDLO CCn1ncnc1C[N@@H+](CC)CCCNC(=O)[C@@H](C)C#N ZINC001265106122 809708889 /nfs/dbraw/zinc/70/88/89/809708889.db2.gz FPACKFKKYWLVHX-LBPRGKRZSA-N 1 2 292.387 0.786 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001265207249 809723307 /nfs/dbraw/zinc/72/33/07/809723307.db2.gz CYXDQVXDMMRNET-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001265207249 809723312 /nfs/dbraw/zinc/72/33/12/809723312.db2.gz CYXDQVXDMMRNET-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001265207633 809725048 /nfs/dbraw/zinc/72/50/48/809725048.db2.gz KKPBYIDBRLAOOI-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001265207633 809725049 /nfs/dbraw/zinc/72/50/49/809725049.db2.gz KKPBYIDBRLAOOI-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001265207836 809725074 /nfs/dbraw/zinc/72/50/74/809725074.db2.gz MBTKMXWSPBBXAP-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001265207836 809725077 /nfs/dbraw/zinc/72/50/77/809725077.db2.gz MBTKMXWSPBBXAP-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265235063 809729822 /nfs/dbraw/zinc/72/98/22/809729822.db2.gz HRZZHUCQCKWJPH-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC(C)(C)C)C1 ZINC001265279032 809743956 /nfs/dbraw/zinc/74/39/56/809743956.db2.gz MSYAOIGLPHVLPW-GFCCVEGCSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC(C)(C)C)C1 ZINC001265279032 809743959 /nfs/dbraw/zinc/74/39/59/809743959.db2.gz MSYAOIGLPHVLPW-GFCCVEGCSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265284741 809747462 /nfs/dbraw/zinc/74/74/62/809747462.db2.gz VCCLHLKUGGVXNK-QWHCGFSZSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265284741 809747464 /nfs/dbraw/zinc/74/74/64/809747464.db2.gz VCCLHLKUGGVXNK-QWHCGFSZSA-N 1 2 290.367 0.149 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001076654999 815325786 /nfs/dbraw/zinc/32/57/86/815325786.db2.gz AVEIVFSBSUKKRO-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001076654999 815325791 /nfs/dbraw/zinc/32/57/91/815325791.db2.gz AVEIVFSBSUKKRO-ZIAGYGMSSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(C)n1cc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)nn1 ZINC001265814861 809860887 /nfs/dbraw/zinc/86/08/87/809860887.db2.gz GMLSFQHMZKXWNI-LBPRGKRZSA-N 1 2 292.387 0.957 20 30 CCEDLO CC(C)n1cc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)nn1 ZINC001265814861 809860890 /nfs/dbraw/zinc/86/08/90/809860890.db2.gz GMLSFQHMZKXWNI-LBPRGKRZSA-N 1 2 292.387 0.957 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC001265814996 809860989 /nfs/dbraw/zinc/86/09/89/809860989.db2.gz LOOGWFXBRUALFW-JTQLQIEISA-N 1 2 294.359 0.233 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC001265814996 809860992 /nfs/dbraw/zinc/86/09/92/809860992.db2.gz LOOGWFXBRUALFW-JTQLQIEISA-N 1 2 294.359 0.233 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCCNC(=O)Cc1nnc[nH]1 ZINC001266100842 809935035 /nfs/dbraw/zinc/93/50/35/809935035.db2.gz KMNMCDIBYUPDGO-UHFFFAOYSA-N 1 2 285.779 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCCNC(=O)Cc1nnc[nH]1 ZINC001266100842 809935038 /nfs/dbraw/zinc/93/50/38/809935038.db2.gz KMNMCDIBYUPDGO-UHFFFAOYSA-N 1 2 285.779 0.928 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001266200204 809960773 /nfs/dbraw/zinc/96/07/73/809960773.db2.gz HJVOSQFGLRTIOB-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001266200204 809960779 /nfs/dbraw/zinc/96/07/79/809960779.db2.gz HJVOSQFGLRTIOB-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001266212333 809964293 /nfs/dbraw/zinc/96/42/93/809964293.db2.gz MHWICPGMZACYCU-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001266212333 809964295 /nfs/dbraw/zinc/96/42/95/809964295.db2.gz MHWICPGMZACYCU-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)c1 ZINC001076855861 815398260 /nfs/dbraw/zinc/39/82/60/815398260.db2.gz QKJJHLSTJAXFNY-NUYITTKVSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)c1 ZINC001076855861 815398266 /nfs/dbraw/zinc/39/82/66/815398266.db2.gz QKJJHLSTJAXFNY-NUYITTKVSA-N 1 2 294.742 0.414 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001038281801 811164823 /nfs/dbraw/zinc/16/48/23/811164823.db2.gz UWLQOAOOBNBCGV-UONOGXRCSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001038281801 811164826 /nfs/dbraw/zinc/16/48/26/811164826.db2.gz UWLQOAOOBNBCGV-UONOGXRCSA-N 1 2 291.395 0.459 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)n(C)n1 ZINC001038508630 815435585 /nfs/dbraw/zinc/43/55/85/815435585.db2.gz XPCPHYLYWRAQTO-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)n(C)n1 ZINC001038508630 815435590 /nfs/dbraw/zinc/43/55/90/815435590.db2.gz XPCPHYLYWRAQTO-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO N#Cc1nccc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058562242 811321459 /nfs/dbraw/zinc/32/14/59/811321459.db2.gz GKRDKXQZEAGMTA-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001058562813 811322047 /nfs/dbraw/zinc/32/20/47/811322047.db2.gz SRPUSZRSECYROT-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001077068451 815441771 /nfs/dbraw/zinc/44/17/71/815441771.db2.gz DJTHMYIISDBQLO-GHMZBOCLSA-N 1 2 283.278 0.321 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001077068451 815441775 /nfs/dbraw/zinc/44/17/75/815441775.db2.gz DJTHMYIISDBQLO-GHMZBOCLSA-N 1 2 283.278 0.321 20 30 CCEDLO C#CC[NH2+][C@H](CNC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC001267525717 811405068 /nfs/dbraw/zinc/40/50/68/811405068.db2.gz NWTITRNGCYTXFO-CYBMUJFWSA-N 1 2 283.335 0.428 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn3CC)[C@H]2C1 ZINC001083276071 811460625 /nfs/dbraw/zinc/46/06/25/811460625.db2.gz KUBPALGPBNKQLL-LSDHHAIUSA-N 1 2 287.363 0.666 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn3CC)[C@H]2C1 ZINC001083276071 811460631 /nfs/dbraw/zinc/46/06/31/811460631.db2.gz KUBPALGPBNKQLL-LSDHHAIUSA-N 1 2 287.363 0.666 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267624651 811584754 /nfs/dbraw/zinc/58/47/54/811584754.db2.gz JATXPJSIXFNQEU-ZDUSSCGKSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267624651 811584760 /nfs/dbraw/zinc/58/47/60/811584760.db2.gz JATXPJSIXFNQEU-ZDUSSCGKSA-N 1 2 290.367 0.010 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCCC(=O)NCC)C1 ZINC001267667381 811633209 /nfs/dbraw/zinc/63/32/09/811633209.db2.gz VJVSPGYIEHUVAV-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)CSC)C1 ZINC001267678782 811643471 /nfs/dbraw/zinc/64/34/71/811643471.db2.gz IERIJCHIISXGNP-NSHDSACASA-N 1 2 299.440 0.336 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C2(F)CCCC2)C1 ZINC001267687994 811653203 /nfs/dbraw/zinc/65/32/03/811653203.db2.gz AGZSUFFPZPIFOJ-UHFFFAOYSA-N 1 2 295.358 0.066 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341453 811654532 /nfs/dbraw/zinc/65/45/32/811654532.db2.gz LGFVTJDUQFMIJT-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341453 811654537 /nfs/dbraw/zinc/65/45/37/811654537.db2.gz LGFVTJDUQFMIJT-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001267706056 811668577 /nfs/dbraw/zinc/66/85/77/811668577.db2.gz YPNVFGXSVMZNFY-AVGNSLFASA-N 1 2 279.384 0.762 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001267706056 811668579 /nfs/dbraw/zinc/66/85/79/811668579.db2.gz YPNVFGXSVMZNFY-AVGNSLFASA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001267731530 811699550 /nfs/dbraw/zinc/69/95/50/811699550.db2.gz GUSZWJIIDGDLDH-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001267731530 811699556 /nfs/dbraw/zinc/69/95/56/811699556.db2.gz GUSZWJIIDGDLDH-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267761401 811758508 /nfs/dbraw/zinc/75/85/08/811758508.db2.gz HDKVJOSMPGOHPN-AWEZNQCLSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267761401 811758518 /nfs/dbraw/zinc/75/85/18/811758518.db2.gz HDKVJOSMPGOHPN-AWEZNQCLSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001125938806 811899009 /nfs/dbraw/zinc/89/90/09/811899009.db2.gz KUJFPOHBNQEODW-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCF)C2)nn1 ZINC001105303855 811901132 /nfs/dbraw/zinc/90/11/32/811901132.db2.gz UQOZFCJYQVFEPI-UHFFFAOYSA-N 1 2 279.319 0.134 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001105334204 811941041 /nfs/dbraw/zinc/94/10/41/811941041.db2.gz ZGPMSCSWKFYORN-CYBMUJFWSA-N 1 2 285.351 0.184 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001077402936 815494593 /nfs/dbraw/zinc/49/45/93/815494593.db2.gz LFGBOFRUCLCUMX-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001077402936 815494597 /nfs/dbraw/zinc/49/45/97/815494597.db2.gz LFGBOFRUCLCUMX-VXGBXAGGSA-N 1 2 291.351 0.821 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098632231 812132862 /nfs/dbraw/zinc/13/28/62/812132862.db2.gz AKILIZQEPZELNX-JQWIXIFHSA-N 1 2 294.334 0.270 20 30 CCEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001058854185 812206164 /nfs/dbraw/zinc/20/61/64/812206164.db2.gz YUMWKBGJSZMCNM-ONGXEEELSA-N 1 2 259.313 0.958 20 30 CCEDLO N#Cc1cnnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168370105 815515760 /nfs/dbraw/zinc/51/57/60/815515760.db2.gz VPKLUNCBWWOGCK-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cnnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168370105 815515761 /nfs/dbraw/zinc/51/57/61/815515761.db2.gz VPKLUNCBWWOGCK-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001038902249 812326542 /nfs/dbraw/zinc/32/65/42/812326542.db2.gz DRVVOZXPBGHSAT-LBPRGKRZSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001038902249 812326549 /nfs/dbraw/zinc/32/65/49/812326549.db2.gz DRVVOZXPBGHSAT-LBPRGKRZSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001038916783 812341123 /nfs/dbraw/zinc/34/11/23/812341123.db2.gz IODLHKFUPHWDNR-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001038916783 812341130 /nfs/dbraw/zinc/34/11/30/812341130.db2.gz IODLHKFUPHWDNR-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001038916783 812341140 /nfs/dbraw/zinc/34/11/40/812341140.db2.gz IODLHKFUPHWDNR-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001038916783 812341148 /nfs/dbraw/zinc/34/11/48/812341148.db2.gz IODLHKFUPHWDNR-NWDGAFQWSA-N 1 2 287.367 0.123 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001268183365 812349619 /nfs/dbraw/zinc/34/96/19/812349619.db2.gz YYZFDYNSFLAEKU-OLZOCXBDSA-N 1 2 275.356 0.623 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001075621135 812500103 /nfs/dbraw/zinc/50/01/03/812500103.db2.gz PMAXWDPOAGKKCQ-SGMGOOAPSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001075621135 812500106 /nfs/dbraw/zinc/50/01/06/812500106.db2.gz PMAXWDPOAGKKCQ-SGMGOOAPSA-N 1 2 287.367 0.612 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000692929282 812577185 /nfs/dbraw/zinc/57/71/85/812577185.db2.gz NWIZHXKSBDCNDC-CQSZACIVSA-N 1 2 263.385 0.686 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000692929282 812577188 /nfs/dbraw/zinc/57/71/88/812577188.db2.gz NWIZHXKSBDCNDC-CQSZACIVSA-N 1 2 263.385 0.686 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC001211750429 812639475 /nfs/dbraw/zinc/63/94/75/812639475.db2.gz SGMDTPWNGVFYLQ-ZIAGYGMSSA-N 1 2 280.368 0.252 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC001211750429 812639478 /nfs/dbraw/zinc/63/94/78/812639478.db2.gz SGMDTPWNGVFYLQ-ZIAGYGMSSA-N 1 2 280.368 0.252 20 30 CCEDLO C=CCCC(=O)NC/C=C\C[NH2+][C@H](C)c1nnnn1C ZINC001268525078 812768887 /nfs/dbraw/zinc/76/88/87/812768887.db2.gz QVQCKSUBJOPGDE-JMEBYUIHSA-N 1 2 278.360 0.499 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001083621578 815558579 /nfs/dbraw/zinc/55/85/79/815558579.db2.gz UMHGWQBEMGEUTC-OLZOCXBDSA-N 1 2 276.336 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001083621578 815558583 /nfs/dbraw/zinc/55/85/83/815558583.db2.gz UMHGWQBEMGEUTC-OLZOCXBDSA-N 1 2 276.336 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)[C@@H](O)C1 ZINC001083620648 815558196 /nfs/dbraw/zinc/55/81/96/815558196.db2.gz XMLJEUFGWVJPNK-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)[C@@H](O)C1 ZINC001083620648 815558197 /nfs/dbraw/zinc/55/81/97/815558197.db2.gz XMLJEUFGWVJPNK-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)C[N@H+](C)Cc1snnc1C ZINC001268722619 813037008 /nfs/dbraw/zinc/03/70/08/813037008.db2.gz AGFAQXLHGFKOEO-JTQLQIEISA-N 1 2 298.412 0.986 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)C[N@@H+](C)Cc1snnc1C ZINC001268722619 813037018 /nfs/dbraw/zinc/03/70/18/813037018.db2.gz AGFAQXLHGFKOEO-JTQLQIEISA-N 1 2 298.412 0.986 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC1C[NH+](CC(=O)NC)C1)OCC ZINC001268833428 813106162 /nfs/dbraw/zinc/10/61/62/813106162.db2.gz PHGXOHYYYUDTPV-CYBMUJFWSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)CC)C1 ZINC001268867912 813124388 /nfs/dbraw/zinc/12/43/88/813124388.db2.gz WGHFKUSCOOUOIP-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001268934279 813146343 /nfs/dbraw/zinc/14/63/43/813146343.db2.gz ANEPYLIHESEBGW-KBPBESRZSA-N 1 2 294.395 0.736 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001268934279 813146349 /nfs/dbraw/zinc/14/63/49/813146349.db2.gz ANEPYLIHESEBGW-KBPBESRZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001127031489 815580440 /nfs/dbraw/zinc/58/04/40/815580440.db2.gz DXUWQUARLXGFME-GFCCVEGCSA-N 1 2 279.340 0.790 20 30 CCEDLO C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001268944624 813153974 /nfs/dbraw/zinc/15/39/74/813153974.db2.gz DUZYRBRJKDBHPS-UHFFFAOYSA-N 1 2 272.352 0.571 20 30 CCEDLO C#CC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001268944624 813153976 /nfs/dbraw/zinc/15/39/76/813153976.db2.gz DUZYRBRJKDBHPS-UHFFFAOYSA-N 1 2 272.352 0.571 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001269206641 813265927 /nfs/dbraw/zinc/26/59/27/813265927.db2.gz ZYKWGVKYJXDYPU-GHMZBOCLSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001269206641 813265930 /nfs/dbraw/zinc/26/59/30/813265930.db2.gz ZYKWGVKYJXDYPU-GHMZBOCLSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCS(=O)(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000710922847 813276198 /nfs/dbraw/zinc/27/61/98/813276198.db2.gz CFPALIKICGIKDN-GFCCVEGCSA-N 1 2 274.386 0.299 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687770 813312159 /nfs/dbraw/zinc/31/21/59/813312159.db2.gz VYOMNUARSSDZBY-LBPRGKRZSA-N 1 2 283.335 0.910 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1nccc1C ZINC001269310878 813321787 /nfs/dbraw/zinc/32/17/87/813321787.db2.gz OPPAPFFVVKVLBP-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cn1nccc1C ZINC001269310878 813321792 /nfs/dbraw/zinc/32/17/92/813321792.db2.gz OPPAPFFVVKVLBP-AWEZNQCLSA-N 1 2 290.367 0.032 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001269326668 813325433 /nfs/dbraw/zinc/32/54/33/813325433.db2.gz MERZSDNIVUOTPZ-DZGCQCFKSA-N 1 2 280.368 0.253 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001269326668 813325437 /nfs/dbraw/zinc/32/54/37/813325437.db2.gz MERZSDNIVUOTPZ-DZGCQCFKSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CCN1CC[C@@]2(CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001269568912 813424501 /nfs/dbraw/zinc/42/45/01/813424501.db2.gz GQHVPTNUCVPDFQ-HNNXBMFYSA-N 1 2 286.335 0.179 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001270501566 813788233 /nfs/dbraw/zinc/78/82/33/813788233.db2.gz MYLYMWCGRKAFAG-SNVBAGLBSA-N 1 2 259.313 0.214 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001075761189 813848508 /nfs/dbraw/zinc/84/85/08/813848508.db2.gz ZLHKYNLVMRSTFD-WDEREUQCSA-N 1 2 295.774 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001075761189 813848513 /nfs/dbraw/zinc/84/85/13/813848513.db2.gz ZLHKYNLVMRSTFD-WDEREUQCSA-N 1 2 295.774 0.714 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001270651598 813872884 /nfs/dbraw/zinc/87/28/84/813872884.db2.gz ZXNGXBCUEZZIDF-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001270651598 813872892 /nfs/dbraw/zinc/87/28/92/813872892.db2.gz ZXNGXBCUEZZIDF-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075776523 813973834 /nfs/dbraw/zinc/97/38/34/813973834.db2.gz SFMLBSKSYWBEEI-GOEBONIOSA-N 1 2 298.390 0.866 20 30 CCEDLO Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075776523 813973837 /nfs/dbraw/zinc/97/38/37/813973837.db2.gz SFMLBSKSYWBEEI-GOEBONIOSA-N 1 2 298.390 0.866 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059284080 814065719 /nfs/dbraw/zinc/06/57/19/814065719.db2.gz VZPYUHMVEOHMIP-HAQNSBGRSA-N 1 2 296.334 0.978 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087911831 814267716 /nfs/dbraw/zinc/26/77/16/814267716.db2.gz MEPMFTUTWGCXCN-TUAOUCFPSA-N 1 2 289.339 0.510 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087911831 814267720 /nfs/dbraw/zinc/26/77/20/814267720.db2.gz MEPMFTUTWGCXCN-TUAOUCFPSA-N 1 2 289.339 0.510 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001271349482 814388364 /nfs/dbraw/zinc/38/83/64/814388364.db2.gz GWEJRHXFPPVPKS-OLZOCXBDSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001280402042 814456085 /nfs/dbraw/zinc/45/60/85/814456085.db2.gz DDQMWHCHCMSRKK-CYBMUJFWSA-N 1 2 270.348 0.967 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001280402042 814456086 /nfs/dbraw/zinc/45/60/86/814456086.db2.gz DDQMWHCHCMSRKK-CYBMUJFWSA-N 1 2 270.348 0.967 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001280414667 814513465 /nfs/dbraw/zinc/51/34/65/814513465.db2.gz CNTSRRCWLJWTDV-QWHCGFSZSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001280414667 814513470 /nfs/dbraw/zinc/51/34/70/814513470.db2.gz CNTSRRCWLJWTDV-QWHCGFSZSA-N 1 2 286.372 0.041 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001038461386 814523179 /nfs/dbraw/zinc/52/31/79/814523179.db2.gz ZYPPOFWPBWOLLW-NSHDSACASA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001038461386 814523185 /nfs/dbraw/zinc/52/31/85/814523185.db2.gz ZYPPOFWPBWOLLW-NSHDSACASA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cncs2)C1 ZINC001271943607 814638958 /nfs/dbraw/zinc/63/89/58/814638958.db2.gz ZQRNNYXMORWEJE-CYBMUJFWSA-N 1 2 279.365 0.333 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cncs2)C1 ZINC001271943607 814638962 /nfs/dbraw/zinc/63/89/62/814638962.db2.gz ZQRNNYXMORWEJE-CYBMUJFWSA-N 1 2 279.365 0.333 20 30 CCEDLO CC(C)[C@@H](CNC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001271942763 814639379 /nfs/dbraw/zinc/63/93/79/814639379.db2.gz WFXJKFZEUYUXDH-CYBMUJFWSA-N 1 2 277.372 0.917 20 30 CCEDLO C[N@@H+]1CCC12CN(C(=O)[C@H](C#N)Cc1ccc(O)cc1)C2 ZINC001271976834 814658703 /nfs/dbraw/zinc/65/87/03/814658703.db2.gz ZYEAKDYBLOORMS-ZDUSSCGKSA-N 1 2 285.347 0.991 20 30 CCEDLO C[N@H+]1CCC12CN(C(=O)[C@H](C#N)Cc1ccc(O)cc1)C2 ZINC001271976834 814658707 /nfs/dbraw/zinc/65/87/07/814658707.db2.gz ZYEAKDYBLOORMS-ZDUSSCGKSA-N 1 2 285.347 0.991 20 30 CCEDLO CC#CC[N@H+](C)CCN(C)C(=O)CCc1nc[nH]n1 ZINC001271989610 814666157 /nfs/dbraw/zinc/66/61/57/814666157.db2.gz MTCSFIWREOFAFT-UHFFFAOYSA-N 1 2 263.345 0.151 20 30 CCEDLO CC#CC[N@@H+](C)CCN(C)C(=O)CCc1nc[nH]n1 ZINC001271989610 814666159 /nfs/dbraw/zinc/66/61/59/814666159.db2.gz MTCSFIWREOFAFT-UHFFFAOYSA-N 1 2 263.345 0.151 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)[C@H]1C ZINC001088474189 814725636 /nfs/dbraw/zinc/72/56/36/814725636.db2.gz BQMDCXMWWMXLJL-GRYCIOLGSA-N 1 2 288.775 0.733 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)[C@H]1C ZINC001088474189 814725642 /nfs/dbraw/zinc/72/56/42/814725642.db2.gz BQMDCXMWWMXLJL-GRYCIOLGSA-N 1 2 288.775 0.733 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001088549845 814872381 /nfs/dbraw/zinc/87/23/81/814872381.db2.gz FYBGIDZFLOXTJW-UTLUCORTSA-N 1 2 287.747 0.426 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001088549845 814872386 /nfs/dbraw/zinc/87/23/86/814872386.db2.gz FYBGIDZFLOXTJW-UTLUCORTSA-N 1 2 287.747 0.426 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105454511 814892695 /nfs/dbraw/zinc/89/26/95/814892695.db2.gz ZOVDHWQCBBXNFN-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(O)CC2)C1 ZINC001030259740 815935623 /nfs/dbraw/zinc/93/56/23/815935623.db2.gz VBTDZWXXDDHBMM-UHFFFAOYSA-N 1 2 252.358 0.914 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1CC#N ZINC000947757609 815946282 /nfs/dbraw/zinc/94/62/82/815946282.db2.gz CIUUCOIYSMQMNM-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CCOC ZINC001038391437 815961423 /nfs/dbraw/zinc/96/14/23/815961423.db2.gz YKQQHNWFWXZMHO-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CCOC ZINC001038391437 815961426 /nfs/dbraw/zinc/96/14/26/815961426.db2.gz YKQQHNWFWXZMHO-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030292422 815961507 /nfs/dbraw/zinc/96/15/07/815961507.db2.gz HVDZATLNOFOLLR-GHMZBOCLSA-N 1 2 253.302 0.418 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccn(CC)n2)C1 ZINC001030341125 815984014 /nfs/dbraw/zinc/98/40/14/815984014.db2.gz OKKHVKRCWBNTDT-UHFFFAOYSA-N 1 2 262.357 0.822 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2CCC3)C1 ZINC001030404430 816017160 /nfs/dbraw/zinc/01/71/60/816017160.db2.gz USJWAQFZNKLBMM-UHFFFAOYSA-N 1 2 260.341 0.819 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001030428849 816034546 /nfs/dbraw/zinc/03/45/46/816034546.db2.gz FQTSCDMGFVYPRS-LLVKDONJSA-N 1 2 265.357 0.279 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cn(C)nc2C)C1 ZINC001030454447 816045284 /nfs/dbraw/zinc/04/52/84/816045284.db2.gz CIWYOXJUGLEHEN-UHFFFAOYSA-N 1 2 260.341 0.095 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001030523253 816085843 /nfs/dbraw/zinc/08/58/43/816085843.db2.gz YGDRJSIXZLVVBI-UHFFFAOYSA-N 1 2 280.278 0.852 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001030538732 816096053 /nfs/dbraw/zinc/09/60/53/816096053.db2.gz QSCQEEUVCGXPIP-UHFFFAOYSA-N 1 2 273.336 0.776 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552835 816104087 /nfs/dbraw/zinc/10/40/87/816104087.db2.gz OBAJLOBZPJMTES-LLVKDONJSA-N 1 2 260.341 0.432 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C)c2CC)C1 ZINC001030603117 816139856 /nfs/dbraw/zinc/13/98/56/816139856.db2.gz UMNPSCPRVUSUGH-UHFFFAOYSA-N 1 2 262.357 0.973 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001030714164 816244406 /nfs/dbraw/zinc/24/44/06/816244406.db2.gz WWEHVUWWLAUUFN-UHFFFAOYSA-N 1 2 283.335 0.704 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046023812 816293234 /nfs/dbraw/zinc/29/32/34/816293234.db2.gz XBZGGJPEXUTWBB-KBPBESRZSA-N 1 2 290.411 0.775 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549239 816334201 /nfs/dbraw/zinc/33/42/01/816334201.db2.gz KLMGUXACJWSDCC-TZQNSNDFSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549239 816334209 /nfs/dbraw/zinc/33/42/09/816334209.db2.gz KLMGUXACJWSDCC-TZQNSNDFSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN1CC(NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001031034293 816588369 /nfs/dbraw/zinc/58/83/69/816588369.db2.gz NDCKCDXFQYOEBX-UHFFFAOYSA-N 1 2 293.411 0.618 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001031101872 816646868 /nfs/dbraw/zinc/64/68/68/816646868.db2.gz QWDCKIGKWSUBIW-UHFFFAOYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001031102208 816647766 /nfs/dbraw/zinc/64/77/66/816647766.db2.gz UWHBTAFKOKJODJ-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H](O)C1 ZINC001083732181 816812745 /nfs/dbraw/zinc/81/27/45/816812745.db2.gz IKAIKSGJHFOBGS-OLZOCXBDSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H](O)C1 ZINC001083732181 816812756 /nfs/dbraw/zinc/81/27/56/816812756.db2.gz IKAIKSGJHFOBGS-OLZOCXBDSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001038576096 816823866 /nfs/dbraw/zinc/82/38/66/816823866.db2.gz PLBLPAYKLZSUHT-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001038576096 816823878 /nfs/dbraw/zinc/82/38/78/816823878.db2.gz PLBLPAYKLZSUHT-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001031218777 816832792 /nfs/dbraw/zinc/83/27/92/816832792.db2.gz CFBAKEOXSDIBCW-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001031449970 817062018 /nfs/dbraw/zinc/06/20/18/817062018.db2.gz GZDXRPVQNAUWLJ-CYBMUJFWSA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001031454031 817062420 /nfs/dbraw/zinc/06/24/20/817062420.db2.gz OCQDYWWJGJLDJI-UHFFFAOYSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)n(C)n2)C1 ZINC001031485265 817077991 /nfs/dbraw/zinc/07/79/91/817077991.db2.gz CFQZIQJRVSKVKB-UHFFFAOYSA-N 1 2 260.341 0.420 20 30 CCEDLO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031731055 817295280 /nfs/dbraw/zinc/29/52/80/817295280.db2.gz IQUXYWCCFLTELH-UHFFFAOYSA-N 1 2 290.367 0.082 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001089664093 817299782 /nfs/dbraw/zinc/29/97/82/817299782.db2.gz ZGJZPRHBVHTHPW-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001089664093 817299792 /nfs/dbraw/zinc/29/97/92/817299792.db2.gz ZGJZPRHBVHTHPW-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001089664093 817299801 /nfs/dbraw/zinc/29/98/01/817299801.db2.gz ZGJZPRHBVHTHPW-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001089664093 817299805 /nfs/dbraw/zinc/29/98/05/817299805.db2.gz ZGJZPRHBVHTHPW-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031911390 817458706 /nfs/dbraw/zinc/45/87/06/817458706.db2.gz YTEQCJVGWRXURH-LLVKDONJSA-N 1 2 285.775 0.265 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001124483021 817486617 /nfs/dbraw/zinc/48/66/17/817486617.db2.gz JONKKQQLZYVFIH-LLVKDONJSA-N 1 2 282.344 0.565 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031979828 817518135 /nfs/dbraw/zinc/51/81/35/817518135.db2.gz PCYLVYQPHZLQAS-NWDGAFQWSA-N 1 2 299.802 0.511 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001124767931 817571316 /nfs/dbraw/zinc/57/13/16/817571316.db2.gz OOPYUQIDDBCMIM-NSHDSACASA-N 1 2 267.329 0.952 20 30 CCEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001107071551 817712389 /nfs/dbraw/zinc/71/23/89/817712389.db2.gz NFDUCFWPGZARGI-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COCC)nn2)C1 ZINC001107120000 817771098 /nfs/dbraw/zinc/77/10/98/817771098.db2.gz RAWGIVPPLCMAMJ-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CSC)nn2)C1 ZINC001107123047 817776682 /nfs/dbraw/zinc/77/66/82/817776682.db2.gz SNWLVFZVXLEANI-UHFFFAOYSA-N 1 2 293.396 0.137 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C=C\C3CC3)nn2)C1 ZINC001107154189 817796109 /nfs/dbraw/zinc/79/61/09/817796109.db2.gz XZNIYYPKUXUPGS-WAYWQWQTSA-N 1 2 287.367 0.903 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC(F)F)nn2)C1 ZINC001107185139 817804245 /nfs/dbraw/zinc/80/42/45/817804245.db2.gz KXOWMNMYPQYUJI-UHFFFAOYSA-N 1 2 299.325 0.982 20 30 CCEDLO N#Cc1cnccc1NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001107240660 817816871 /nfs/dbraw/zinc/81/68/71/817816871.db2.gz QWVXWADBBCRUNP-OWOJBTEDSA-N 1 2 296.334 0.356 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C ZINC001032306827 817827755 /nfs/dbraw/zinc/82/77/55/817827755.db2.gz RTKZKSBSAAFUAT-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C ZINC001032306827 817827766 /nfs/dbraw/zinc/82/77/66/817827766.db2.gz RTKZKSBSAAFUAT-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000691284958 817838547 /nfs/dbraw/zinc/83/85/47/817838547.db2.gz PKAUDNCZOQDKPM-RYUDHWBXSA-N 1 2 271.386 0.503 20 30 CCEDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000691284958 817838556 /nfs/dbraw/zinc/83/85/56/817838556.db2.gz PKAUDNCZOQDKPM-RYUDHWBXSA-N 1 2 271.386 0.503 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCNCC#N)[nH]n1 ZINC001127774046 817852252 /nfs/dbraw/zinc/85/22/52/817852252.db2.gz VIBBVEWFMHODNJ-GFCCVEGCSA-N 1 2 276.344 0.019 20 30 CCEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCNCC#N)[nH]n1 ZINC001127774046 817852260 /nfs/dbraw/zinc/85/22/60/817852260.db2.gz VIBBVEWFMHODNJ-GFCCVEGCSA-N 1 2 276.344 0.019 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001077602910 817864162 /nfs/dbraw/zinc/86/41/62/817864162.db2.gz UGAQQVZFYDVUBA-HUUCEWRRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001077602910 817864166 /nfs/dbraw/zinc/86/41/66/817864166.db2.gz UGAQQVZFYDVUBA-HUUCEWRRSA-N 1 2 288.347 0.412 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001077647759 817915241 /nfs/dbraw/zinc/91/52/41/817915241.db2.gz KRPLOUZXAMHMGA-GHMZBOCLSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001077647759 817915246 /nfs/dbraw/zinc/91/52/46/817915246.db2.gz KRPLOUZXAMHMGA-GHMZBOCLSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001107781622 818000562 /nfs/dbraw/zinc/00/05/62/818000562.db2.gz HYONBMVVMVWZKV-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001107781622 818000571 /nfs/dbraw/zinc/00/05/71/818000571.db2.gz HYONBMVVMVWZKV-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089990735 818214502 /nfs/dbraw/zinc/21/45/02/818214502.db2.gz SIABYMSYMWDPJT-MNOVXSKESA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089990735 818214510 /nfs/dbraw/zinc/21/45/10/818214510.db2.gz SIABYMSYMWDPJT-MNOVXSKESA-N 1 2 258.749 0.700 20 30 CCEDLO CC1(C[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)COC1 ZINC001273062379 818546469 /nfs/dbraw/zinc/54/64/69/818546469.db2.gz CUNNGQPFEUEGCD-UHFFFAOYSA-N 1 2 293.367 0.240 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001033139466 818564906 /nfs/dbraw/zinc/56/49/06/818564906.db2.gz GKWGKDCXFMOUNQ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001033139466 818564912 /nfs/dbraw/zinc/56/49/12/818564912.db2.gz GKWGKDCXFMOUNQ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@@H](O)C1 ZINC001083843109 818573082 /nfs/dbraw/zinc/57/30/82/818573082.db2.gz RYYDBAYNYLSNEE-XQQFMLRXSA-N 1 2 276.336 0.486 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@@H](O)C1 ZINC001083843109 818573088 /nfs/dbraw/zinc/57/30/88/818573088.db2.gz RYYDBAYNYLSNEE-XQQFMLRXSA-N 1 2 276.336 0.486 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 ZINC001033159646 818586256 /nfs/dbraw/zinc/58/62/56/818586256.db2.gz DVXCZWOBFKECHQ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 ZINC001033159646 818586266 /nfs/dbraw/zinc/58/62/66/818586266.db2.gz DVXCZWOBFKECHQ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038555225 818613954 /nfs/dbraw/zinc/61/39/54/818613954.db2.gz KMBCQFUWDRJAPZ-CYBMUJFWSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038555225 818613957 /nfs/dbraw/zinc/61/39/57/818613957.db2.gz KMBCQFUWDRJAPZ-CYBMUJFWSA-N 1 2 272.352 0.785 20 30 CCEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCN(CC#N)C1 ZINC001033416841 818765215 /nfs/dbraw/zinc/76/52/15/818765215.db2.gz QITIMZKDDJULDV-RYUDHWBXSA-N 1 2 287.367 0.886 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992256 819025713 /nfs/dbraw/zinc/02/57/13/819025713.db2.gz HLSFODYSZIZXKN-NSHDSACASA-N 1 2 261.329 0.364 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992256 819025717 /nfs/dbraw/zinc/02/57/17/819025717.db2.gz HLSFODYSZIZXKN-NSHDSACASA-N 1 2 261.329 0.364 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnns2)C1 ZINC001034121201 819082024 /nfs/dbraw/zinc/08/20/24/819082024.db2.gz MTUQRFAMHKKSRZ-SNVBAGLBSA-N 1 2 264.354 0.756 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnns2)C1 ZINC001034121201 819082028 /nfs/dbraw/zinc/08/20/28/819082028.db2.gz MTUQRFAMHKKSRZ-SNVBAGLBSA-N 1 2 264.354 0.756 20 30 CCEDLO N#Cc1c[nH]c2nc(Cl)cc(-n3[nH]c(=O)nc3C[NH3+])c12 ZINC001168755826 819285681 /nfs/dbraw/zinc/28/56/81/819285681.db2.gz IJPRHAKVKRGNRI-UHFFFAOYSA-N 1 2 289.686 0.833 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099680829 819303518 /nfs/dbraw/zinc/30/35/18/819303518.db2.gz GXCMWANDJKIVIP-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099680829 819303525 /nfs/dbraw/zinc/30/35/25/819303525.db2.gz GXCMWANDJKIVIP-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083865442 819335192 /nfs/dbraw/zinc/33/51/92/819335192.db2.gz HMKQTGNCGIVWMI-DFBGVHRSSA-N 1 2 290.363 0.794 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083865442 819335194 /nfs/dbraw/zinc/33/51/94/819335194.db2.gz HMKQTGNCGIVWMI-DFBGVHRSSA-N 1 2 290.363 0.794 20 30 CCEDLO COc1ccc(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162694386 819394402 /nfs/dbraw/zinc/39/44/02/819394402.db2.gz OHKAWOPMADKELI-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1ccc(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162694386 819394409 /nfs/dbraw/zinc/39/44/09/819394409.db2.gz OHKAWOPMADKELI-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO N#CCN1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035232136 819426087 /nfs/dbraw/zinc/42/60/87/819426087.db2.gz YKXLDTUIOVVFHO-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035288414 819437080 /nfs/dbraw/zinc/43/70/80/819437080.db2.gz IKAQBCFLSIEGHT-GFCCVEGCSA-N 1 2 250.298 0.896 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035288414 819437085 /nfs/dbraw/zinc/43/70/85/819437085.db2.gz IKAQBCFLSIEGHT-GFCCVEGCSA-N 1 2 250.298 0.896 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2scnc2C)C1 ZINC001035297884 819470412 /nfs/dbraw/zinc/47/04/12/819470412.db2.gz GLWLSQNXDAIOKX-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2scnc2C)C1 ZINC001035297884 819470418 /nfs/dbraw/zinc/47/04/18/819470418.db2.gz GLWLSQNXDAIOKX-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035337627 819478723 /nfs/dbraw/zinc/47/87/23/819478723.db2.gz WBPSSLRCKGCKGU-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035337627 819478726 /nfs/dbraw/zinc/47/87/26/819478726.db2.gz WBPSSLRCKGCKGU-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001035341511 819482088 /nfs/dbraw/zinc/48/20/88/819482088.db2.gz UHGXSDFFLNIQNC-LBPRGKRZSA-N 1 2 262.313 0.093 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001035341511 819482091 /nfs/dbraw/zinc/48/20/91/819482091.db2.gz UHGXSDFFLNIQNC-LBPRGKRZSA-N 1 2 262.313 0.093 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035366459 819489541 /nfs/dbraw/zinc/48/95/41/819489541.db2.gz PXEQDJWRNIITIE-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035366459 819489544 /nfs/dbraw/zinc/48/95/44/819489544.db2.gz PXEQDJWRNIITIE-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035354834 819496465 /nfs/dbraw/zinc/49/64/65/819496465.db2.gz XHUOLAVYDJNTSF-CQSZACIVSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035354834 819496470 /nfs/dbraw/zinc/49/64/70/819496470.db2.gz XHUOLAVYDJNTSF-CQSZACIVSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2CCC)C1 ZINC001035386208 819504205 /nfs/dbraw/zinc/50/42/05/819504205.db2.gz IXEARRMYVRNLDC-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2CCC)C1 ZINC001035386208 819504207 /nfs/dbraw/zinc/50/42/07/819504207.db2.gz IXEARRMYVRNLDC-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035401488 819507675 /nfs/dbraw/zinc/50/76/75/819507675.db2.gz JPBPRCJCVLELDC-ZDUSSCGKSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035401488 819507678 /nfs/dbraw/zinc/50/76/78/819507678.db2.gz JPBPRCJCVLELDC-ZDUSSCGKSA-N 1 2 293.367 0.097 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001035485104 819533632 /nfs/dbraw/zinc/53/36/32/819533632.db2.gz NTLQTRHTAKNMPO-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001035485104 819533634 /nfs/dbraw/zinc/53/36/34/819533634.db2.gz NTLQTRHTAKNMPO-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001035469815 819538983 /nfs/dbraw/zinc/53/89/83/819538983.db2.gz HKPNJGTWLDNWIE-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001035469815 819538988 /nfs/dbraw/zinc/53/89/88/819538988.db2.gz HKPNJGTWLDNWIE-ZDUSSCGKSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539394 819552325 /nfs/dbraw/zinc/55/23/25/819552325.db2.gz IWROUEYCGGKZBY-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539394 819552332 /nfs/dbraw/zinc/55/23/32/819552332.db2.gz IWROUEYCGGKZBY-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001035586887 819577841 /nfs/dbraw/zinc/57/78/41/819577841.db2.gz UWDNSRINYIWVAL-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001035586887 819577846 /nfs/dbraw/zinc/57/78/46/819577846.db2.gz UWDNSRINYIWVAL-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035593027 819581087 /nfs/dbraw/zinc/58/10/87/819581087.db2.gz TUOPTPSHQUGBSO-JTQLQIEISA-N 1 2 297.742 0.782 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035593027 819581092 /nfs/dbraw/zinc/58/10/92/819581092.db2.gz TUOPTPSHQUGBSO-JTQLQIEISA-N 1 2 297.742 0.782 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000710226324 819823630 /nfs/dbraw/zinc/82/36/30/819823630.db2.gz ATYLXLAMJOIHOX-UHFFFAOYSA-N 1 2 270.398 0.900 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H](O)C1 ZINC001083921854 820269924 /nfs/dbraw/zinc/26/99/24/820269924.db2.gz XQLZCDRZSKSZCR-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H](O)C1 ZINC001083921854 820269930 /nfs/dbraw/zinc/26/99/30/820269930.db2.gz XQLZCDRZSKSZCR-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO CC(=O)N1CC[NH+]([C@@H]2CCN(c3ccncc3C#N)C2)CC1 ZINC001065184754 820307174 /nfs/dbraw/zinc/30/71/74/820307174.db2.gz LOHCYTYEBXQSDN-OAHLLOKOSA-N 1 2 299.378 0.696 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001081051243 820674320 /nfs/dbraw/zinc/67/43/20/820674320.db2.gz UCYHNSNANRHVPF-GHMZBOCLSA-N 1 2 293.392 0.973 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001081051243 820674329 /nfs/dbraw/zinc/67/43/29/820674329.db2.gz UCYHNSNANRHVPF-GHMZBOCLSA-N 1 2 293.392 0.973 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001081619490 820796160 /nfs/dbraw/zinc/79/61/60/820796160.db2.gz SOZCGZHHLKWADC-CHWSQXEVSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001081619490 820796165 /nfs/dbraw/zinc/79/61/65/820796165.db2.gz SOZCGZHHLKWADC-CHWSQXEVSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001081599050 820802999 /nfs/dbraw/zinc/80/29/99/820802999.db2.gz KCWDTRDXVYGRDB-TZMCWYRMSA-N 1 2 276.336 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001081599050 820803016 /nfs/dbraw/zinc/80/30/16/820803016.db2.gz KCWDTRDXVYGRDB-TZMCWYRMSA-N 1 2 276.336 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001081737299 820823437 /nfs/dbraw/zinc/82/34/37/820823437.db2.gz WHRWUUQKTZEEAV-GHMZBOCLSA-N 1 2 298.293 0.340 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001081737299 820823449 /nfs/dbraw/zinc/82/34/49/820823449.db2.gz WHRWUUQKTZEEAV-GHMZBOCLSA-N 1 2 298.293 0.340 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@H](OC)C1 ZINC001081875886 820851714 /nfs/dbraw/zinc/85/17/14/820851714.db2.gz ZUSVAXBBWRPLKN-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@H](OC)C1 ZINC001081875886 820851722 /nfs/dbraw/zinc/85/17/22/820851722.db2.gz ZUSVAXBBWRPLKN-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@H](OC)C1 ZINC001081900906 820858753 /nfs/dbraw/zinc/85/87/53/820858753.db2.gz DIKPRYWLDYTPRI-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@H](OC)C1 ZINC001081900906 820858762 /nfs/dbraw/zinc/85/87/62/820858762.db2.gz DIKPRYWLDYTPRI-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@H](OC)C1 ZINC001081942897 820866074 /nfs/dbraw/zinc/86/60/74/820866074.db2.gz KSZWBGWVVBVVPJ-ZIAGYGMSSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@H](OC)C1 ZINC001081942897 820866079 /nfs/dbraw/zinc/86/60/79/820866079.db2.gz KSZWBGWVVBVVPJ-ZIAGYGMSSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@H](OC)C1 ZINC001082053113 820884669 /nfs/dbraw/zinc/88/46/69/820884669.db2.gz YRMQUZMUQVFUOU-HUUCEWRRSA-N 1 2 299.374 0.562 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@H](OC)C1 ZINC001082053113 820884677 /nfs/dbraw/zinc/88/46/77/820884677.db2.gz YRMQUZMUQVFUOU-HUUCEWRRSA-N 1 2 299.374 0.562 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 ZINC001082087809 820897171 /nfs/dbraw/zinc/89/71/71/820897171.db2.gz LCQWOPPTFCWEBY-VXGBXAGGSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 ZINC001082087809 820897183 /nfs/dbraw/zinc/89/71/83/820897183.db2.gz LCQWOPPTFCWEBY-VXGBXAGGSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@H](OC)C1 ZINC001082293731 820929323 /nfs/dbraw/zinc/92/93/23/820929323.db2.gz ZMCBQYURQVFZQH-CHWSQXEVSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@H](OC)C1 ZINC001082293731 820929331 /nfs/dbraw/zinc/92/93/31/820929331.db2.gz ZMCBQYURQVFZQH-CHWSQXEVSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)c[nH]3)[C@H]2C1 ZINC001082998471 821095138 /nfs/dbraw/zinc/09/51/38/821095138.db2.gz RFOYHSAYIUGBGE-QWHCGFSZSA-N 1 2 293.754 0.827 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)c[nH]3)[C@H]2C1 ZINC001082998471 821095147 /nfs/dbraw/zinc/09/51/47/821095147.db2.gz RFOYHSAYIUGBGE-QWHCGFSZSA-N 1 2 293.754 0.827 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)n[nH]3)[C@H]2C1 ZINC001083014922 821107683 /nfs/dbraw/zinc/10/76/83/821107683.db2.gz XHKKUHRXOFLZGB-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)n[nH]3)[C@H]2C1 ZINC001083014922 821107685 /nfs/dbraw/zinc/10/76/85/821107685.db2.gz XHKKUHRXOFLZGB-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC(C)C3)[C@H]2C1 ZINC001083046792 821127117 /nfs/dbraw/zinc/12/71/17/821127117.db2.gz RVTADBPAPBELBB-CLRIEMFWSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(C)C3)[C@H]2C1 ZINC001083046792 821127124 /nfs/dbraw/zinc/12/71/24/821127124.db2.gz RVTADBPAPBELBB-CLRIEMFWSA-N 1 2 262.353 0.577 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)no3)[C@H]2C1 ZINC001083057529 821128079 /nfs/dbraw/zinc/12/80/79/821128079.db2.gz OBHIJEQEWDEEFW-CMPLNLGQSA-N 1 2 293.323 0.394 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)no3)[C@H]2C1 ZINC001083057529 821128086 /nfs/dbraw/zinc/12/80/86/821128086.db2.gz OBHIJEQEWDEEFW-CMPLNLGQSA-N 1 2 293.323 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCO3)[C@H]2C1 ZINC001083051859 821129142 /nfs/dbraw/zinc/12/91/42/821129142.db2.gz TZPBEBJUZUEGND-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCO3)[C@H]2C1 ZINC001083051859 821129144 /nfs/dbraw/zinc/12/91/44/821129144.db2.gz TZPBEBJUZUEGND-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csnn3)[C@H]2C1 ZINC001083155133 821148852 /nfs/dbraw/zinc/14/88/52/821148852.db2.gz FBOYDMJOPRFJQF-WDEREUQCSA-N 1 2 280.353 0.249 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3csnn3)[C@H]2C1 ZINC001083155133 821148860 /nfs/dbraw/zinc/14/88/60/821148860.db2.gz FBOYDMJOPRFJQF-WDEREUQCSA-N 1 2 280.353 0.249 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)c(C)n3)[C@H]2C1 ZINC001083144602 821149122 /nfs/dbraw/zinc/14/91/22/821149122.db2.gz PCKFILONJXPVJY-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)c(C)n3)[C@H]2C1 ZINC001083144602 821149127 /nfs/dbraw/zinc/14/91/27/821149127.db2.gz PCKFILONJXPVJY-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001083950819 821163146 /nfs/dbraw/zinc/16/31/46/821163146.db2.gz CLTYQAWWJFMMPB-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001083950819 821163152 /nfs/dbraw/zinc/16/31/52/821163152.db2.gz CLTYQAWWJFMMPB-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)[C@@H](O)C1 ZINC001084010263 821182409 /nfs/dbraw/zinc/18/24/09/821182409.db2.gz YKXTZUMQJDBZSK-FJBKBRRZSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)[C@@H](O)C1 ZINC001084010263 821182419 /nfs/dbraw/zinc/18/24/19/821182419.db2.gz YKXTZUMQJDBZSK-FJBKBRRZSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001084120167 821195578 /nfs/dbraw/zinc/19/55/78/821195578.db2.gz NLGREQUCBYNBAD-CVEARBPZSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001084120167 821195583 /nfs/dbraw/zinc/19/55/83/821195583.db2.gz NLGREQUCBYNBAD-CVEARBPZSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)[C@@H](O)C1 ZINC001084107621 821201466 /nfs/dbraw/zinc/20/14/66/821201466.db2.gz MJWHXIXKQZAZHA-PQAZSJQKSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)[C@@H](O)C1 ZINC001084107621 821201477 /nfs/dbraw/zinc/20/14/77/821201477.db2.gz MJWHXIXKQZAZHA-PQAZSJQKSA-N 1 2 278.396 0.853 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001084645852 821335169 /nfs/dbraw/zinc/33/51/69/821335169.db2.gz HHYGVDWMPLBKQG-JHJVBQTASA-N 1 2 291.395 0.749 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001084645852 821335177 /nfs/dbraw/zinc/33/51/77/821335177.db2.gz HHYGVDWMPLBKQG-JHJVBQTASA-N 1 2 291.395 0.749 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084712348 821359475 /nfs/dbraw/zinc/35/94/75/821359475.db2.gz CMJUCEOHWAIOGV-YRGRVCCFSA-N 1 2 287.367 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084712348 821359485 /nfs/dbraw/zinc/35/94/85/821359485.db2.gz CMJUCEOHWAIOGV-YRGRVCCFSA-N 1 2 287.367 0.645 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 ZINC001099821956 821368691 /nfs/dbraw/zinc/36/86/91/821368691.db2.gz YTFADBATLQSOSO-QWHCGFSZSA-N 1 2 284.787 0.950 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 ZINC001099821956 821368704 /nfs/dbraw/zinc/36/87/04/821368704.db2.gz YTFADBATLQSOSO-QWHCGFSZSA-N 1 2 284.787 0.950 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001084907236 821428185 /nfs/dbraw/zinc/42/81/85/821428185.db2.gz ZNRKTVASBDHLSW-WZRBSPASSA-N 1 2 289.339 0.652 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001084907236 821428187 /nfs/dbraw/zinc/42/81/87/821428187.db2.gz ZNRKTVASBDHLSW-WZRBSPASSA-N 1 2 289.339 0.652 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(F)c1C#N ZINC000712276442 821445689 /nfs/dbraw/zinc/44/56/89/821445689.db2.gz HVVPLWJXQLLABW-VIFPVBQESA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(F)c1C#N ZINC000712276442 821445693 /nfs/dbraw/zinc/44/56/93/821445693.db2.gz HVVPLWJXQLLABW-VIFPVBQESA-N 1 2 283.328 0.680 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803127 821451726 /nfs/dbraw/zinc/45/17/26/821451726.db2.gz VDXRXPSXAYWKHW-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803127 821451731 /nfs/dbraw/zinc/45/17/31/821451731.db2.gz VDXRXPSXAYWKHW-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001098306903 821666378 /nfs/dbraw/zinc/66/63/78/821666378.db2.gz PTQHOXRUSLARGY-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001085501273 821747183 /nfs/dbraw/zinc/74/71/83/821747183.db2.gz WVEXNRSZXKETJB-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001085501273 821747187 /nfs/dbraw/zinc/74/71/87/821747187.db2.gz WVEXNRSZXKETJB-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085567049 821799676 /nfs/dbraw/zinc/79/96/76/821799676.db2.gz XWHUUTJJAIVJOH-ZDUSSCGKSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085567049 821799669 /nfs/dbraw/zinc/79/96/69/821799669.db2.gz XWHUUTJJAIVJOH-ZDUSSCGKSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1OC ZINC001085632509 821860783 /nfs/dbraw/zinc/86/07/83/821860783.db2.gz WDVYOOMHZFWFAE-GFCCVEGCSA-N 1 2 288.351 0.573 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1OC ZINC001085632509 821860788 /nfs/dbraw/zinc/86/07/88/821860788.db2.gz WDVYOOMHZFWFAE-GFCCVEGCSA-N 1 2 288.351 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2nccnc2c1 ZINC001085645347 821870026 /nfs/dbraw/zinc/87/00/26/821870026.db2.gz RCIYBJGRQHWMOO-CYBMUJFWSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2nccnc2c1 ZINC001085645347 821870033 /nfs/dbraw/zinc/87/00/33/821870033.db2.gz RCIYBJGRQHWMOO-CYBMUJFWSA-N 1 2 295.346 0.804 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688283 821898962 /nfs/dbraw/zinc/89/89/62/821898962.db2.gz GPXDUJXRAYSBIJ-CYBMUJFWSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688283 821898974 /nfs/dbraw/zinc/89/89/74/821898974.db2.gz GPXDUJXRAYSBIJ-CYBMUJFWSA-N 1 2 273.336 0.870 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085815379 821964045 /nfs/dbraw/zinc/96/40/45/821964045.db2.gz TZDIHXMHECWSOV-LBPRGKRZSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085815379 821964050 /nfs/dbraw/zinc/96/40/50/821964050.db2.gz TZDIHXMHECWSOV-LBPRGKRZSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccn1 ZINC001085886607 822001113 /nfs/dbraw/zinc/00/11/13/822001113.db2.gz DYFKEDNLDQIHFC-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccn1 ZINC001085886607 822001116 /nfs/dbraw/zinc/00/11/16/822001116.db2.gz DYFKEDNLDQIHFC-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001085942450 822027822 /nfs/dbraw/zinc/02/78/22/822027822.db2.gz HXLDNGMOSVPOGW-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001085942450 822027831 /nfs/dbraw/zinc/02/78/31/822027831.db2.gz HXLDNGMOSVPOGW-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108231177 822064061 /nfs/dbraw/zinc/06/40/61/822064061.db2.gz NIXLYDJREZAIMG-IIAWOOMASA-N 1 2 294.395 0.784 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108231177 822064072 /nfs/dbraw/zinc/06/40/72/822064072.db2.gz NIXLYDJREZAIMG-IIAWOOMASA-N 1 2 294.395 0.784 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086123696 822119767 /nfs/dbraw/zinc/11/97/67/822119767.db2.gz PKSKFVMQZKMKFE-RWMBFGLXSA-N 1 2 287.367 0.453 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090405667 822136878 /nfs/dbraw/zinc/13/68/78/822136878.db2.gz YQJJYLADNHAMOW-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090405667 822136882 /nfs/dbraw/zinc/13/68/82/822136882.db2.gz YQJJYLADNHAMOW-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO Cc1nc(NC[C@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001108254535 822154980 /nfs/dbraw/zinc/15/49/80/822154980.db2.gz MFGPLSMGOSUFIV-VIFPVBQESA-N 1 2 279.369 0.958 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475483 822271616 /nfs/dbraw/zinc/27/16/16/822271616.db2.gz YCTCTKUWXSUVKL-IJLUTSLNSA-N 1 2 287.367 0.838 20 30 CCEDLO CCc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114067053 837421180 /nfs/dbraw/zinc/42/11/80/837421180.db2.gz MDYBMMJZYXFUBY-DNJQJEMRSA-N 1 2 289.339 0.338 20 30 CCEDLO CCc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114067053 837421184 /nfs/dbraw/zinc/42/11/84/837421184.db2.gz MDYBMMJZYXFUBY-DNJQJEMRSA-N 1 2 289.339 0.338 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114256416 837490260 /nfs/dbraw/zinc/49/02/60/837490260.db2.gz ZZNPURAFRPVGRE-IMRBUKKESA-N 1 2 288.376 0.498 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114256416 837490269 /nfs/dbraw/zinc/49/02/69/837490269.db2.gz ZZNPURAFRPVGRE-IMRBUKKESA-N 1 2 288.376 0.498 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)cn2)C1 ZINC001108346388 835976553 /nfs/dbraw/zinc/97/65/53/835976553.db2.gz IYQUDRAFEVKQQR-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)cn2)C1 ZINC001108346388 835976560 /nfs/dbraw/zinc/97/65/60/835976560.db2.gz IYQUDRAFEVKQQR-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCN1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367780 835991472 /nfs/dbraw/zinc/99/14/72/835991472.db2.gz PYVQQINJJGATNF-OAHLLOKOSA-N 1 2 290.367 0.101 20 30 CCEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108429518 836074156 /nfs/dbraw/zinc/07/41/56/836074156.db2.gz KKNIHLCKUAICPC-MRXNPFEDSA-N 1 2 294.395 0.810 20 30 CCEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108429518 836074145 /nfs/dbraw/zinc/07/41/45/836074145.db2.gz KKNIHLCKUAICPC-MRXNPFEDSA-N 1 2 294.395 0.810 20 30 CCEDLO N#CC1(c2cc[nH+]c(NC[C@H]3CNC(=O)CO3)c2)CC1 ZINC001169275030 836181866 /nfs/dbraw/zinc/18/18/66/836181866.db2.gz NWTYZXNVEXDSLY-NSHDSACASA-N 1 2 272.308 0.564 20 30 CCEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001169564066 836355203 /nfs/dbraw/zinc/35/52/03/836355203.db2.gz VQGYYSHYDUXWLD-CYBMUJFWSA-N 1 2 281.356 0.547 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)C(=O)OC ZINC001169864220 836468958 /nfs/dbraw/zinc/46/89/58/836468958.db2.gz OTKAYEPRHFTSEJ-MCIGGMRASA-N 1 2 287.381 0.497 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C(C)C)CC2=O)C1 ZINC001108574829 836469059 /nfs/dbraw/zinc/46/90/59/836469059.db2.gz CADAMJOLDYFREX-STQMWFEESA-N 1 2 293.411 0.866 20 30 CCEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001108952274 836580569 /nfs/dbraw/zinc/58/05/69/836580569.db2.gz SMXXCUBXHPVZTJ-VWYCJHECSA-N 1 2 271.361 0.934 20 30 CCEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001108952274 836580572 /nfs/dbraw/zinc/58/05/72/836580572.db2.gz SMXXCUBXHPVZTJ-VWYCJHECSA-N 1 2 271.361 0.934 20 30 CCEDLO CN(CCCNc1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001109472533 836690093 /nfs/dbraw/zinc/69/00/93/836690093.db2.gz RWLVXVIXEGGECD-UHFFFAOYSA-N 1 2 298.350 0.532 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncnc2C)CC1 ZINC001112636784 836834129 /nfs/dbraw/zinc/83/41/29/836834129.db2.gz GCVCDWYUNMQJRK-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncn2C)CC1 ZINC001113073705 837016240 /nfs/dbraw/zinc/01/62/40/837016240.db2.gz CVFGLIUZLNQKKB-UHFFFAOYSA-N 1 2 278.356 0.381 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC[C@H]2CCOC2)CC1 ZINC001113396527 837108808 /nfs/dbraw/zinc/10/88/08/837108808.db2.gz IYUNYBJTJQJAHF-ZDUSSCGKSA-N 1 2 268.357 0.370 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC001113437730 837117044 /nfs/dbraw/zinc/11/70/44/837117044.db2.gz HVFIVZNDMVOSHO-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCCC(N)=O)CC1 ZINC001113509681 837139033 /nfs/dbraw/zinc/13/90/33/837139033.db2.gz DKKASROBQKRBDX-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccnc(C#N)n1 ZINC001113695440 837197636 /nfs/dbraw/zinc/19/76/36/837197636.db2.gz CCYIUHIXQLTIAG-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113750616 837213639 /nfs/dbraw/zinc/21/36/39/837213639.db2.gz XMRDRDSPMRFMED-JZYVYDRUSA-N 1 2 289.173 0.588 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001113734719 837210754 /nfs/dbraw/zinc/21/07/54/837210754.db2.gz XVFICHGKLYWPAC-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113750616 837213630 /nfs/dbraw/zinc/21/36/30/837213630.db2.gz XMRDRDSPMRFMED-JZYVYDRUSA-N 1 2 289.173 0.588 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/[C@H]2COC(C)(C)O2)CC1 ZINC001170249577 837284968 /nfs/dbraw/zinc/28/49/68/837284968.db2.gz WUINZKNVPGESAB-GFUIURDCSA-N 1 2 278.352 0.472 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131808766 838230306 /nfs/dbraw/zinc/23/03/06/838230306.db2.gz NWJWEFWDESCHOH-RYUDHWBXSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131808766 838230315 /nfs/dbraw/zinc/23/03/15/838230315.db2.gz NWJWEFWDESCHOH-RYUDHWBXSA-N 1 2 297.424 0.068 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131871346 838249918 /nfs/dbraw/zinc/24/99/18/838249918.db2.gz QXSYORNIMROFPG-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131871346 838249926 /nfs/dbraw/zinc/24/99/26/838249926.db2.gz QXSYORNIMROFPG-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CN1CC#N ZINC001132024915 838293338 /nfs/dbraw/zinc/29/33/38/838293338.db2.gz KBLSNMXXGSFLLM-VXGBXAGGSA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CN1CC#N ZINC001132024914 838293476 /nfs/dbraw/zinc/29/34/76/838293476.db2.gz KBLSNMXXGSFLLM-RYUDHWBXSA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC001132432724 838395870 /nfs/dbraw/zinc/39/58/70/838395870.db2.gz FVZUFHAYWGMVED-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC001132432724 838395879 /nfs/dbraw/zinc/39/58/79/838395879.db2.gz FVZUFHAYWGMVED-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132569132 838437953 /nfs/dbraw/zinc/43/79/53/838437953.db2.gz LGLVKBCQTDAFPQ-GHMZBOCLSA-N 1 2 295.387 0.800 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132591420 838445786 /nfs/dbraw/zinc/44/57/86/838445786.db2.gz NYHYRJYPMXONIJ-UHFFFAOYSA-N 1 2 293.371 0.535 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001132660119 838464289 /nfs/dbraw/zinc/46/42/89/838464289.db2.gz JEUSDJVQQAFVJS-JTQLQIEISA-N 1 2 252.318 0.878 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)c1 ZINC001133596946 838678116 /nfs/dbraw/zinc/67/81/16/838678116.db2.gz FSWPCOPGUDQGPA-JTQLQIEISA-N 1 2 299.334 0.835 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1CNCC#N ZINC001185206422 844362308 /nfs/dbraw/zinc/36/23/08/844362308.db2.gz SYTKJIJTHCXTNZ-NEPJUHHUSA-N 1 2 275.356 0.550 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134013731 838824467 /nfs/dbraw/zinc/82/44/67/838824467.db2.gz DBSZTBQAFVJHQO-UHFFFAOYSA-N 1 2 298.350 0.515 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134013731 838824473 /nfs/dbraw/zinc/82/44/73/838824473.db2.gz DBSZTBQAFVJHQO-UHFFFAOYSA-N 1 2 298.350 0.515 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134013731 838824479 /nfs/dbraw/zinc/82/44/79/838824479.db2.gz DBSZTBQAFVJHQO-UHFFFAOYSA-N 1 2 298.350 0.515 20 30 CCEDLO NC(=O)C1CCN(c2cc(NCCCS)[nH+]cn2)CC1 ZINC001171001093 839697572 /nfs/dbraw/zinc/69/75/72/839697572.db2.gz PZUZPDVQUWKWJB-UHFFFAOYSA-N 1 2 295.412 0.910 20 30 CCEDLO NC(=O)C1CCN(c2cc(NCCCS)nc[nH+]2)CC1 ZINC001171001093 839697576 /nfs/dbraw/zinc/69/75/76/839697576.db2.gz PZUZPDVQUWKWJB-UHFFFAOYSA-N 1 2 295.412 0.910 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185855232 844468444 /nfs/dbraw/zinc/46/84/44/844468444.db2.gz FHWUFPDTKFQWLX-CQSZACIVSA-N 1 2 289.383 0.965 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001143716047 839871325 /nfs/dbraw/zinc/87/13/25/839871325.db2.gz BILCHIOLRAYXMS-ZWNOBZJWSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001143716047 839871336 /nfs/dbraw/zinc/87/13/36/839871336.db2.gz BILCHIOLRAYXMS-ZWNOBZJWSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(N)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1C#N ZINC001186046909 844496062 /nfs/dbraw/zinc/49/60/62/844496062.db2.gz HEIUQJDJAULOJS-NSHDSACASA-N 1 2 285.307 0.017 20 30 CCEDLO N#Cc1cc(N)c(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1C#N ZINC001186046909 844496067 /nfs/dbraw/zinc/49/60/67/844496067.db2.gz HEIUQJDJAULOJS-NSHDSACASA-N 1 2 285.307 0.017 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144402182 840037511 /nfs/dbraw/zinc/03/75/11/840037511.db2.gz FUVMDCMYBLKWJT-LBPRGKRZSA-N 1 2 279.365 0.365 20 30 CCEDLO N#CCc1cc(NC(=O)C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC001186049859 844499104 /nfs/dbraw/zinc/49/91/04/844499104.db2.gz PMHGCWUNMUMGAJ-GFCCVEGCSA-N 1 2 277.299 0.897 20 30 CCEDLO N#CCc1cc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC001186049859 844499108 /nfs/dbraw/zinc/49/91/08/844499108.db2.gz PMHGCWUNMUMGAJ-GFCCVEGCSA-N 1 2 277.299 0.897 20 30 CCEDLO C[NH+]1CC2(C1)COCC(=O)N2Cc1cccc(C#N)c1 ZINC001273518159 844532799 /nfs/dbraw/zinc/53/27/99/844532799.db2.gz XNXOQZJYOFJZKJ-UHFFFAOYSA-N 1 2 271.320 0.601 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001146891159 840406350 /nfs/dbraw/zinc/40/63/50/840406350.db2.gz QIUDFQLNHXLZEM-OLZOCXBDSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001146891159 840406356 /nfs/dbraw/zinc/40/63/56/840406356.db2.gz QIUDFQLNHXLZEM-OLZOCXBDSA-N 1 2 298.383 0.721 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2cnsn2)nc1 ZINC001148370231 840794810 /nfs/dbraw/zinc/79/48/10/840794810.db2.gz OOYLSUFMEMBBTA-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO Cc1ccc(C#N)c(NCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001093700675 841438861 /nfs/dbraw/zinc/43/88/61/841438861.db2.gz GLNAIDAVJMGMHJ-UHFFFAOYSA-N 1 2 284.323 0.687 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(C#N)nc1 ZINC001093776330 841468024 /nfs/dbraw/zinc/46/80/24/841468024.db2.gz AXSPKJPOLCAMFF-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO CCc1nc(C#N)cc(NCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094150751 841549834 /nfs/dbraw/zinc/54/98/34/841549834.db2.gz ZMUNWGOWWZLPQL-UHFFFAOYSA-N 1 2 299.338 0.405 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001094220232 841559360 /nfs/dbraw/zinc/55/93/60/841559360.db2.gz MYWBZFZFJCOPOB-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001094220232 841559368 /nfs/dbraw/zinc/55/93/68/841559368.db2.gz MYWBZFZFJCOPOB-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001094220057 841559645 /nfs/dbraw/zinc/55/96/45/841559645.db2.gz CMKYOPATRFBYGF-NXEZZACHSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001094220057 841559652 /nfs/dbraw/zinc/55/96/52/841559652.db2.gz CMKYOPATRFBYGF-NXEZZACHSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001094549564 841673096 /nfs/dbraw/zinc/67/30/96/841673096.db2.gz ODGRQFVTLRQBBU-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 ZINC001094770585 841719619 /nfs/dbraw/zinc/71/96/19/841719619.db2.gz APUUYOQESNHRNR-GVXVVHGQSA-N 1 2 277.368 0.230 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)C(=O)OC ZINC001172166871 841880309 /nfs/dbraw/zinc/88/03/09/841880309.db2.gz UUNZSZJKORNDGX-WOPDTQHZSA-N 1 2 264.325 0.294 20 30 CCEDLO N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094909733 841926442 /nfs/dbraw/zinc/92/64/42/841926442.db2.gz NICVLSNBPHBKMV-XQQFMLRXSA-N 1 2 287.367 0.835 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)C(=O)OC ZINC001173752154 842146603 /nfs/dbraw/zinc/14/66/03/842146603.db2.gz OLRSMZRVQKCBDG-SRVKXCTJSA-N 1 2 277.328 0.311 20 30 CCEDLO C[C@@H](CCCCNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001176165224 842338686 /nfs/dbraw/zinc/33/86/86/842338686.db2.gz JLBFRYDMLRULDK-LBPRGKRZSA-N 1 2 277.372 0.751 20 30 CCEDLO N#CNC(=NC(=O)CCn1cc[nH+]c1)c1ccncc1 ZINC001176878913 842438425 /nfs/dbraw/zinc/43/84/25/842438425.db2.gz RUOQUYGTEGBLEW-UHFFFAOYSA-N 1 2 268.280 0.712 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177020041 842485248 /nfs/dbraw/zinc/48/52/48/842485248.db2.gz VIVKLCXOAAJCLO-HUUCEWRRSA-N 1 2 294.395 0.330 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177020041 842485256 /nfs/dbraw/zinc/48/52/56/842485256.db2.gz VIVKLCXOAAJCLO-HUUCEWRRSA-N 1 2 294.395 0.330 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177025494 842487291 /nfs/dbraw/zinc/48/72/91/842487291.db2.gz RGVIWDDQUURQRK-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177025494 842487306 /nfs/dbraw/zinc/48/73/06/842487306.db2.gz RGVIWDDQUURQRK-KGLIPLIRSA-N 1 2 282.384 0.637 20 30 CCEDLO CC(C)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)NO ZINC001178001252 842723386 /nfs/dbraw/zinc/72/33/86/842723386.db2.gz QPAPOXIWPSXSEO-VIFPVBQESA-N 1 2 268.317 0.379 20 30 CCEDLO N#CNC(=NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC001178118743 842763069 /nfs/dbraw/zinc/76/30/69/842763069.db2.gz FRVQRPCZKIDUHD-GFCCVEGCSA-N 1 2 294.318 0.885 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C#Cc2ccc(F)cc2F)C1 ZINC001178573191 842882424 /nfs/dbraw/zinc/88/24/24/842882424.db2.gz JTROQZSDBHJARG-CYBMUJFWSA-N 1 2 294.301 0.763 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C#Cc2ccc(F)cc2F)C1 ZINC001178573191 842882437 /nfs/dbraw/zinc/88/24/37/842882437.db2.gz JTROQZSDBHJARG-CYBMUJFWSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001178599769 842884295 /nfs/dbraw/zinc/88/42/95/842884295.db2.gz JCEIWLBOSXNIGP-RYUDHWBXSA-N 1 2 290.371 0.093 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001180756119 843277097 /nfs/dbraw/zinc/27/70/97/843277097.db2.gz VOZZSOGZOACOIJ-LBPRGKRZSA-N 1 2 297.318 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001180756119 843277100 /nfs/dbraw/zinc/27/71/00/843277100.db2.gz VOZZSOGZOACOIJ-LBPRGKRZSA-N 1 2 297.318 0.771 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2O)CC1 ZINC001181080239 843404957 /nfs/dbraw/zinc/40/49/57/843404957.db2.gz CESONLBCHUCVOA-OLZOCXBDSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264129 843438537 /nfs/dbraw/zinc/43/85/37/843438537.db2.gz ICBZVSQKZPLWMI-UHFFFAOYSA-N 1 2 263.297 0.442 20 30 CCEDLO N#Cc1cnc(CNC(=O)Cc2cc[nH+]c(N)c2)s1 ZINC001181280136 843441471 /nfs/dbraw/zinc/44/14/71/843441471.db2.gz SVBYADBNQJSKJN-UHFFFAOYSA-N 1 2 273.321 0.851 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC(F)(F)F)CC1 ZINC001183208671 843986964 /nfs/dbraw/zinc/98/69/64/843986964.db2.gz QNVVKPRZXQFBSA-UHFFFAOYSA-N 1 2 252.236 0.853 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273541410 844730325 /nfs/dbraw/zinc/73/03/25/844730325.db2.gz AOEOZAJTVVDGIU-UHFFFAOYSA-N 1 2 275.352 0.617 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001110407049 845105117 /nfs/dbraw/zinc/10/51/17/845105117.db2.gz QEZHBHORGLLWBH-UTUOFQBUSA-N 1 2 262.353 0.956 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001110407049 845105122 /nfs/dbraw/zinc/10/51/22/845105122.db2.gz QEZHBHORGLLWBH-UTUOFQBUSA-N 1 2 262.353 0.956 20 30 CCEDLO N#Cc1cc(C(=O)N2CCc3[nH+]ccn3CC2)ccn1 ZINC001191546977 845688523 /nfs/dbraw/zinc/68/85/23/845688523.db2.gz FKYDPUMWKZRHAX-UHFFFAOYSA-N 1 2 267.292 0.848 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001192151711 845793795 /nfs/dbraw/zinc/79/37/95/845793795.db2.gz CFICVOUXYZRZMR-NSHDSACASA-N 1 2 276.340 0.295 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001192151711 845793800 /nfs/dbraw/zinc/79/38/00/845793800.db2.gz CFICVOUXYZRZMR-NSHDSACASA-N 1 2 276.340 0.295 20 30 CCEDLO Cc1ncc(C(=O)NCCc2[nH+]ccn2C)cc1C#N ZINC001192300962 845812615 /nfs/dbraw/zinc/81/26/15/845812615.db2.gz ALIRHVSEFZAWOB-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193000214 845951721 /nfs/dbraw/zinc/95/17/21/845951721.db2.gz ABWYZARYVIKDQU-NSHDSACASA-N 1 2 280.353 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001193711427 846149032 /nfs/dbraw/zinc/14/90/32/846149032.db2.gz SFBNKGJSBPDPEV-HBNTYKKESA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001193711427 846149039 /nfs/dbraw/zinc/14/90/39/846149039.db2.gz SFBNKGJSBPDPEV-HBNTYKKESA-N 1 2 274.311 0.462 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)CC)CO2 ZINC001273676107 846285927 /nfs/dbraw/zinc/28/59/27/846285927.db2.gz RKFJOPMEQGFIFW-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC001194739141 846365875 /nfs/dbraw/zinc/36/58/75/846365875.db2.gz KJIQIWKWAYRULD-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC001194739141 846365885 /nfs/dbraw/zinc/36/58/85/846365885.db2.gz KJIQIWKWAYRULD-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775208 846622740 /nfs/dbraw/zinc/62/27/40/846622740.db2.gz QKYUDPZXEBZDMA-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775208 846622746 /nfs/dbraw/zinc/62/27/46/846622746.db2.gz QKYUDPZXEBZDMA-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001273713494 846686951 /nfs/dbraw/zinc/68/69/51/846686951.db2.gz RSGJKLATZIOZRU-NEPJUHHUSA-N 1 2 282.384 0.539 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001196482878 846751960 /nfs/dbraw/zinc/75/19/60/846751960.db2.gz UETUXBPBYHNOMB-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001196482878 846751967 /nfs/dbraw/zinc/75/19/67/846751967.db2.gz UETUXBPBYHNOMB-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001198304830 847083475 /nfs/dbraw/zinc/08/34/75/847083475.db2.gz NAXCVFGLJMBFNH-BPLDGKMQSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001198304830 847083482 /nfs/dbraw/zinc/08/34/82/847083482.db2.gz NAXCVFGLJMBFNH-BPLDGKMQSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770321 847153073 /nfs/dbraw/zinc/15/30/73/847153073.db2.gz MUDLFTQWNDAGRE-CQSZACIVSA-N 1 2 274.324 0.436 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770321 847153077 /nfs/dbraw/zinc/15/30/77/847153077.db2.gz MUDLFTQWNDAGRE-CQSZACIVSA-N 1 2 274.324 0.436 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001251855590 847209607 /nfs/dbraw/zinc/20/96/07/847209607.db2.gz ZFZYQNNAWGIFNF-LSDHHAIUSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001251855590 847209613 /nfs/dbraw/zinc/20/96/13/847209613.db2.gz ZFZYQNNAWGIFNF-LSDHHAIUSA-N 1 2 276.336 0.466 20 30 CCEDLO C=CCNC(=S)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001200301523 847603308 /nfs/dbraw/zinc/60/33/08/847603308.db2.gz CENUIFIVMHKCHX-SNVBAGLBSA-N 1 2 282.369 0.154 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001273880623 847721456 /nfs/dbraw/zinc/72/14/56/847721456.db2.gz DZFVHTXRWNVTHT-CYBMUJFWSA-N 1 2 280.368 0.413 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482516 847788202 /nfs/dbraw/zinc/78/82/02/847788202.db2.gz JEIWQRZZTALOBT-CQSZACIVSA-N 1 2 292.383 0.735 20 30 CCEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cc[nH+]1 ZINC001066603232 847995840 /nfs/dbraw/zinc/99/58/40/847995840.db2.gz XFCOYQJOTCORQZ-ZYHUDNBSSA-N 1 2 289.339 0.584 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2COCCOC ZINC001273991250 848213533 /nfs/dbraw/zinc/21/35/33/848213533.db2.gz XTZKMAAXIIXMIB-CHWSQXEVSA-N 1 2 266.341 0.305 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2COCCOC ZINC001273991250 848213539 /nfs/dbraw/zinc/21/35/39/848213539.db2.gz XTZKMAAXIIXMIB-CHWSQXEVSA-N 1 2 266.341 0.305 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354627 848457691 /nfs/dbraw/zinc/45/76/91/848457691.db2.gz PGRDQBNMVLHEID-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354627 848457695 /nfs/dbraw/zinc/45/76/95/848457695.db2.gz PGRDQBNMVLHEID-HNNXBMFYSA-N 1 2 287.367 0.643 20 30 CCEDLO C=C(C)CN1C(=O)COCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001274575625 848510313 /nfs/dbraw/zinc/51/03/13/848510313.db2.gz GOYOQMDAKUGLFJ-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO C=C(C)CN1C(=O)COCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001274575625 848510315 /nfs/dbraw/zinc/51/03/15/848510315.db2.gz GOYOQMDAKUGLFJ-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccccc1NC)C2 ZINC001274664171 848534710 /nfs/dbraw/zinc/53/47/10/848534710.db2.gz KNBWFJYJUUTWQH-UHFFFAOYSA-N 1 2 299.374 0.775 20 30 CCEDLO CCCC#CC(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001274696486 848544196 /nfs/dbraw/zinc/54/41/96/848544196.db2.gz AOYBIRZLYFZUJT-VXGBXAGGSA-N 1 2 288.351 0.251 20 30 CCEDLO C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)N(C)CC#N ZINC001275865132 848850836 /nfs/dbraw/zinc/85/08/36/848850836.db2.gz FTJDIGFXQZWNCN-NEPJUHHUSA-N 1 2 275.356 0.406 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2cc(C)on2)C1 ZINC001276038251 848908103 /nfs/dbraw/zinc/90/81/03/848908103.db2.gz VVASCCVRVKGDIU-UHFFFAOYSA-N 1 2 291.351 0.102 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)OC)C1 ZINC001276350096 849441552 /nfs/dbraw/zinc/44/15/52/849441552.db2.gz DNEYPWKWIFGFQK-DGCLKSJQSA-N 1 2 297.399 0.150 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001038680454 849575596 /nfs/dbraw/zinc/57/55/96/849575596.db2.gz UDTJUDLICNQRJG-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001038680454 849575599 /nfs/dbraw/zinc/57/55/99/849575599.db2.gz UDTJUDLICNQRJG-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001038263147 849834594 /nfs/dbraw/zinc/83/45/94/849834594.db2.gz PLUABHUNLUSCEF-XHSDSOJGSA-N 1 2 299.374 0.983 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001038263147 849834597 /nfs/dbraw/zinc/83/45/97/849834597.db2.gz PLUABHUNLUSCEF-XHSDSOJGSA-N 1 2 299.374 0.983 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001038327656 849854605 /nfs/dbraw/zinc/85/46/05/849854605.db2.gz KHAPQCSCLOIQQR-KGLIPLIRSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001038327656 849854610 /nfs/dbraw/zinc/85/46/10/849854610.db2.gz KHAPQCSCLOIQQR-KGLIPLIRSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001038401064 849878467 /nfs/dbraw/zinc/87/84/67/849878467.db2.gz NXFPOSWYFDWIEK-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001038401064 849878475 /nfs/dbraw/zinc/87/84/75/849878475.db2.gz NXFPOSWYFDWIEK-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038456335 849909566 /nfs/dbraw/zinc/90/95/66/849909566.db2.gz JQRUTPJOGVDONE-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038456335 849909571 /nfs/dbraw/zinc/90/95/71/849909571.db2.gz JQRUTPJOGVDONE-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001038459992 849912026 /nfs/dbraw/zinc/91/20/26/849912026.db2.gz ZLKICXUJNPLJQL-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001038459992 849912030 /nfs/dbraw/zinc/91/20/30/849912030.db2.gz ZLKICXUJNPLJQL-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038459963 849913893 /nfs/dbraw/zinc/91/38/93/849913893.db2.gz DMDIGNNDUPFFMB-GFCCVEGCSA-N 1 2 288.351 0.493 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001038459963 849913899 /nfs/dbraw/zinc/91/38/99/849913899.db2.gz DMDIGNNDUPFFMB-GFCCVEGCSA-N 1 2 288.351 0.493 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038517618 849930539 /nfs/dbraw/zinc/93/05/39/849930539.db2.gz ZAXHDPCHTYEFTC-JTQLQIEISA-N 1 2 278.308 0.639 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038517618 849930545 /nfs/dbraw/zinc/93/05/45/849930545.db2.gz ZAXHDPCHTYEFTC-JTQLQIEISA-N 1 2 278.308 0.639 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001038566429 849944311 /nfs/dbraw/zinc/94/43/11/849944311.db2.gz FEAWPFDRXVBYTG-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001038566429 849944323 /nfs/dbraw/zinc/94/43/23/849944323.db2.gz FEAWPFDRXVBYTG-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001038592302 849954937 /nfs/dbraw/zinc/95/49/37/849954937.db2.gz JLNMTMFPGDJCIB-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001038592302 849954942 /nfs/dbraw/zinc/95/49/42/849954942.db2.gz JLNMTMFPGDJCIB-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038716956 849994345 /nfs/dbraw/zinc/99/43/45/849994345.db2.gz KBQCVQRTGVDEEL-LLVKDONJSA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038716956 849994349 /nfs/dbraw/zinc/99/43/49/849994349.db2.gz KBQCVQRTGVDEEL-LLVKDONJSA-N 1 2 260.341 0.970 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1CC#N ZINC001038721767 849997617 /nfs/dbraw/zinc/99/76/17/849997617.db2.gz UYSJYFZZYJCVCG-IJLUTSLNSA-N 1 2 273.340 0.238 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001038814149 850023946 /nfs/dbraw/zinc/02/39/46/850023946.db2.gz XLXRTHOWBVJZTR-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001038814149 850023952 /nfs/dbraw/zinc/02/39/52/850023952.db2.gz XLXRTHOWBVJZTR-QMMMGPOBSA-N 1 2 286.257 0.866 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001038916617 850084123 /nfs/dbraw/zinc/08/41/23/850084123.db2.gz FSRROLIGQVPKFT-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001038916617 850084128 /nfs/dbraw/zinc/08/41/28/850084128.db2.gz FSRROLIGQVPKFT-RYUDHWBXSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039007828 850116690 /nfs/dbraw/zinc/11/66/90/850116690.db2.gz WYGPMYLMAYWSRP-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039007828 850116692 /nfs/dbraw/zinc/11/66/92/850116692.db2.gz WYGPMYLMAYWSRP-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(CNC(C)=O)c1 ZINC001039027235 850127134 /nfs/dbraw/zinc/12/71/34/850127134.db2.gz BENRMCNNPQQHJQ-INIZCTEOSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CNC(C)=O)c1 ZINC001039027235 850127138 /nfs/dbraw/zinc/12/71/38/850127138.db2.gz BENRMCNNPQQHJQ-INIZCTEOSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC001039045989 850136358 /nfs/dbraw/zinc/13/63/58/850136358.db2.gz VDHIFECUQRUHGH-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC001039045989 850136361 /nfs/dbraw/zinc/13/63/61/850136361.db2.gz VDHIFECUQRUHGH-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039067824 850144590 /nfs/dbraw/zinc/14/45/90/850144590.db2.gz SLKATFZCLALDPN-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039067824 850144598 /nfs/dbraw/zinc/14/45/98/850144598.db2.gz SLKATFZCLALDPN-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1ccnn1 ZINC001039083578 850151478 /nfs/dbraw/zinc/15/14/78/850151478.db2.gz CHUQAUXOERCYIH-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1ccnn1 ZINC001039083578 850151485 /nfs/dbraw/zinc/15/14/85/850151485.db2.gz CHUQAUXOERCYIH-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 ZINC001042325122 850615553 /nfs/dbraw/zinc/61/55/53/850615553.db2.gz DIGQYEPMLKLTMM-OCCSQVGLSA-N 1 2 287.367 0.707 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@H]2OC)C1 ZINC001042891682 850774501 /nfs/dbraw/zinc/77/45/01/850774501.db2.gz FOUDPCUHYLJNLF-TZMCWYRMSA-N 1 2 282.384 0.757 20 30 CCEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001043067759 850807427 /nfs/dbraw/zinc/80/74/27/850807427.db2.gz PKENXFUDBOFFAT-UKRRQHHQSA-N 1 2 295.427 0.814 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043135384 850821613 /nfs/dbraw/zinc/82/16/13/850821613.db2.gz HANWXUZOYBASKR-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001043302886 850850274 /nfs/dbraw/zinc/85/02/74/850850274.db2.gz LNGKMJQEWDRIQG-UHFFFAOYSA-N 1 2 284.323 0.132 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001043300176 850851178 /nfs/dbraw/zinc/85/11/78/850851178.db2.gz MHWPOIAJJWQMKM-UHFFFAOYSA-N 1 2 292.383 0.862 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)cc1 ZINC001043506339 850887186 /nfs/dbraw/zinc/88/71/86/850887186.db2.gz XJHDNKWGKBJFBB-LBPRGKRZSA-N 1 2 272.348 0.805 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001044321257 851077736 /nfs/dbraw/zinc/07/77/36/851077736.db2.gz MJOHIOMKEUMIDI-HNNXBMFYSA-N 1 2 293.411 0.426 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044836328 851167015 /nfs/dbraw/zinc/16/70/15/851167015.db2.gz JWYRGRKNYCAACC-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001096034534 851277970 /nfs/dbraw/zinc/27/79/70/851277970.db2.gz GHQSPUAULLNXLY-POQQGIQPSA-N 1 2 299.378 0.769 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001045995025 851343259 /nfs/dbraw/zinc/34/32/59/851343259.db2.gz JDDYLMMFKQFJIK-OAHLLOKOSA-N 1 2 299.378 0.437 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047267028 851684515 /nfs/dbraw/zinc/68/45/15/851684515.db2.gz PUYDKSGYZJYISN-HOTGVXAUSA-N 1 2 290.338 0.701 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047267028 851684520 /nfs/dbraw/zinc/68/45/20/851684520.db2.gz PUYDKSGYZJYISN-HOTGVXAUSA-N 1 2 290.338 0.701 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001047316018 851712264 /nfs/dbraw/zinc/71/22/64/851712264.db2.gz CEAODMNUHGSUGK-QWRGUYRKSA-N 1 2 279.365 0.284 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001047316018 851712268 /nfs/dbraw/zinc/71/22/68/851712268.db2.gz CEAODMNUHGSUGK-QWRGUYRKSA-N 1 2 279.365 0.284 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001047436733 851763970 /nfs/dbraw/zinc/76/39/70/851763970.db2.gz FLPFNFRXLUDQBP-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001047436733 851763976 /nfs/dbraw/zinc/76/39/76/851763976.db2.gz FLPFNFRXLUDQBP-GJZGRUSLSA-N 1 2 287.363 0.449 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001047525843 851801549 /nfs/dbraw/zinc/80/15/49/851801549.db2.gz WNDZKMHSUBKULY-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001047525843 851801553 /nfs/dbraw/zinc/80/15/53/851801553.db2.gz WNDZKMHSUBKULY-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001048908675 852104045 /nfs/dbraw/zinc/10/40/45/852104045.db2.gz UIRCHIVBARZKQR-MCIONIFRSA-N 1 2 299.378 0.359 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096442875 852110631 /nfs/dbraw/zinc/11/06/31/852110631.db2.gz VTWFECIPPIZSEH-DGCLKSJQSA-N 1 2 288.351 0.518 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnns1 ZINC001049353788 852237232 /nfs/dbraw/zinc/23/72/32/852237232.db2.gz NFVODPYXGSNENX-MNOVXSKESA-N 1 2 276.365 0.850 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnns1 ZINC001049353788 852237238 /nfs/dbraw/zinc/23/72/38/852237238.db2.gz NFVODPYXGSNENX-MNOVXSKESA-N 1 2 276.365 0.850 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001049807690 852377852 /nfs/dbraw/zinc/37/78/52/852377852.db2.gz UHKOHBRFYAMEOS-RYUDHWBXSA-N 1 2 273.340 0.541 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 ZINC001053146190 852694987 /nfs/dbraw/zinc/69/49/87/852694987.db2.gz QFPKCEWWSOARKD-ZDUSSCGKSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn[nH]c1)O2 ZINC001053577981 852764011 /nfs/dbraw/zinc/76/40/11/852764011.db2.gz WYKUQHKRSCWAAN-LBPRGKRZSA-N 1 2 276.340 0.559 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C)c[nH]1)O2 ZINC001053675848 852776570 /nfs/dbraw/zinc/77/65/70/852776570.db2.gz UAZRMQOYFUFONR-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)CO2 ZINC001053714364 852786263 /nfs/dbraw/zinc/78/62/63/852786263.db2.gz FFDPWSGAFBRNMF-VIFPVBQESA-N 1 2 258.268 0.234 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCO1)CO2 ZINC001053729892 852792140 /nfs/dbraw/zinc/79/21/40/852792140.db2.gz VBRFLCGGWHXHIR-CHWSQXEVSA-N 1 2 278.352 0.148 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cc[nH]n1)CO2 ZINC001053763913 852812062 /nfs/dbraw/zinc/81/20/62/852812062.db2.gz BUOXJYUYNLMXBY-CYBMUJFWSA-N 1 2 290.367 0.488 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccncc1C)CO2 ZINC001053795311 852824404 /nfs/dbraw/zinc/82/44/04/852824404.db2.gz MEEHQOOGFNOGDF-CQSZACIVSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1C)CO2 ZINC001053910795 852843404 /nfs/dbraw/zinc/84/34/04/852843404.db2.gz RICVCXZBHASOJF-CQSZACIVSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)CO2 ZINC001053931989 852849282 /nfs/dbraw/zinc/84/92/82/852849282.db2.gz IOHIUOHDFMNOQZ-HZSPNIEDSA-N 1 2 292.379 0.537 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncccn1)CO2 ZINC001053960669 852855190 /nfs/dbraw/zinc/85/51/90/852855190.db2.gz FXLKVHQJQFFCSE-GFCCVEGCSA-N 1 2 286.335 0.073 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053953848 852855510 /nfs/dbraw/zinc/85/55/10/852855510.db2.gz BKWKQJJDFAOPPD-RDBSUJKOSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnn1)CO2 ZINC001053963842 852858747 /nfs/dbraw/zinc/85/87/47/852858747.db2.gz UGCHOBHAQAOIHP-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC001054640549 852986654 /nfs/dbraw/zinc/98/66/54/852986654.db2.gz ZHDNHROOQAEJGN-GXFFZTMASA-N 1 2 290.392 0.888 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001056790453 853214712 /nfs/dbraw/zinc/21/47/12/853214712.db2.gz DQIMQMHJOFNEHA-CYBMUJFWSA-N 1 2 296.334 0.932 20 30 CCEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001056790515 853214841 /nfs/dbraw/zinc/21/48/41/853214841.db2.gz HXLMEYGOBISPDR-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001050826529 853449290 /nfs/dbraw/zinc/44/92/90/853449290.db2.gz DTKFTWNELUMMSE-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001050826529 853449291 /nfs/dbraw/zinc/44/92/91/853449291.db2.gz DTKFTWNELUMMSE-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050849053 853461205 /nfs/dbraw/zinc/46/12/05/853461205.db2.gz SBWSHPKZIBTWIZ-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050849053 853461207 /nfs/dbraw/zinc/46/12/07/853461207.db2.gz SBWSHPKZIBTWIZ-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050876447 853471451 /nfs/dbraw/zinc/47/14/51/853471451.db2.gz NARUNCUEWPVYJU-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050876447 853471453 /nfs/dbraw/zinc/47/14/53/853471453.db2.gz NARUNCUEWPVYJU-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051124732 853528674 /nfs/dbraw/zinc/52/86/74/853528674.db2.gz KZDQBWCBKLBALY-HZSPNIEDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051124732 853528676 /nfs/dbraw/zinc/52/86/76/853528676.db2.gz KZDQBWCBKLBALY-HZSPNIEDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC001051170624 853538408 /nfs/dbraw/zinc/53/84/08/853538408.db2.gz DKSWRJFZGYURRB-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncn1 ZINC001051170624 853538416 /nfs/dbraw/zinc/53/84/16/853538416.db2.gz DKSWRJFZGYURRB-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnn1 ZINC001051178401 853541763 /nfs/dbraw/zinc/54/17/63/853541763.db2.gz URSHHSUVPXVYQE-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnn1 ZINC001051178401 853541766 /nfs/dbraw/zinc/54/17/66/853541766.db2.gz URSHHSUVPXVYQE-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001051244453 853554123 /nfs/dbraw/zinc/55/41/23/853554123.db2.gz CIAKSAPFRLBKSX-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001051244453 853554133 /nfs/dbraw/zinc/55/41/33/853554133.db2.gz CIAKSAPFRLBKSX-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nonc1C ZINC001051267372 853557758 /nfs/dbraw/zinc/55/77/58/853557758.db2.gz APUYTTKHGUTDCH-GFCCVEGCSA-N 1 2 294.355 0.775 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nonc1C ZINC001051267372 853557770 /nfs/dbraw/zinc/55/77/70/853557770.db2.gz APUYTTKHGUTDCH-GFCCVEGCSA-N 1 2 294.355 0.775 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001051494204 853596541 /nfs/dbraw/zinc/59/65/41/853596541.db2.gz FQPYDPNSFJIGAM-ONGXEEELSA-N 1 2 295.368 0.015 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001051977781 853667594 /nfs/dbraw/zinc/66/75/94/853667594.db2.gz FZDQAFFXPBCTOC-LSDHHAIUSA-N 1 2 291.395 0.017 20 30 CCEDLO CSCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051980803 853669045 /nfs/dbraw/zinc/66/90/45/853669045.db2.gz JYMRLPFVLGTSNU-GFCCVEGCSA-N 1 2 282.413 0.091 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051983805 853669747 /nfs/dbraw/zinc/66/97/47/853669747.db2.gz VAGYNVHOFIYBBS-CQSZACIVSA-N 1 2 263.385 0.494 20 30 CCEDLO CS[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051988867 853670337 /nfs/dbraw/zinc/67/03/37/853670337.db2.gz AGABBRIHOSAZCX-OLZOCXBDSA-N 1 2 296.440 0.480 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052110635 853683842 /nfs/dbraw/zinc/68/38/42/853683842.db2.gz UUWLPBJJMNUCAR-CQSZACIVSA-N 1 2 277.412 0.884 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(CF)CC3)C2)CC1 ZINC001052082441 853682092 /nfs/dbraw/zinc/68/20/92/853682092.db2.gz SNAKUCCITRPDCO-CYBMUJFWSA-N 1 2 294.374 0.478 20 30 CCEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058424833 853845306 /nfs/dbraw/zinc/84/53/06/853845306.db2.gz LCDFNDJKXOBYIG-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC2(C)C)[C@@H](n2ccnn2)C1 ZINC001069911159 853997859 /nfs/dbraw/zinc/99/78/59/853997859.db2.gz YSWPIQXORGGTAR-XQQFMLRXSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC2(C)C)[C@@H](n2ccnn2)C1 ZINC001069911159 853997861 /nfs/dbraw/zinc/99/78/61/853997861.db2.gz YSWPIQXORGGTAR-XQQFMLRXSA-N 1 2 287.367 0.299 20 30 CCEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001070538656 854073903 /nfs/dbraw/zinc/07/39/03/854073903.db2.gz GRNMRYXGJZXOFQ-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070934084 854105275 /nfs/dbraw/zinc/10/52/75/854105275.db2.gz QXCNPNGTSWZWMB-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 ZINC001070962512 854110438 /nfs/dbraw/zinc/11/04/38/854110438.db2.gz TWYICEPVJZIKTQ-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 ZINC001070962512 854110440 /nfs/dbraw/zinc/11/04/40/854110440.db2.gz TWYICEPVJZIKTQ-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001071001719 854113909 /nfs/dbraw/zinc/11/39/09/854113909.db2.gz NHDFYVAGPDLZOP-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001071001719 854113912 /nfs/dbraw/zinc/11/39/12/854113912.db2.gz NHDFYVAGPDLZOP-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071804208 854297711 /nfs/dbraw/zinc/29/77/11/854297711.db2.gz YIEHTJXVUGQJOM-MNOVXSKESA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071804208 854297719 /nfs/dbraw/zinc/29/77/19/854297719.db2.gz YIEHTJXVUGQJOM-MNOVXSKESA-N 1 2 278.356 0.894 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870282 854484387 /nfs/dbraw/zinc/48/43/87/854484387.db2.gz DGYSYXFPXQRPPE-CYBMUJFWSA-N 1 2 299.378 0.503 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545546 854586702 /nfs/dbraw/zinc/58/67/02/854586702.db2.gz QDTYZJVPIODNCH-GFCCVEGCSA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001073545546 854586704 /nfs/dbraw/zinc/58/67/04/854586704.db2.gz QDTYZJVPIODNCH-GFCCVEGCSA-N 1 2 298.774 0.983 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001074218741 854699319 /nfs/dbraw/zinc/69/93/19/854699319.db2.gz DMUJRDRONWINLG-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001074218741 854699330 /nfs/dbraw/zinc/69/93/30/854699330.db2.gz DMUJRDRONWINLG-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)n1 ZINC001074568275 854749361 /nfs/dbraw/zinc/74/93/61/854749361.db2.gz MBFDOQLRTHRJLX-QXEWZRGKSA-N 1 2 277.328 0.617 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001098407144 854865517 /nfs/dbraw/zinc/86/55/17/854865517.db2.gz ATZUBUCGHDVPFN-KFWWJZLASA-N 1 2 286.379 0.936 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001098407144 854865518 /nfs/dbraw/zinc/86/55/18/854865518.db2.gz ATZUBUCGHDVPFN-KFWWJZLASA-N 1 2 286.379 0.936 20 30 CCEDLO Cc1nc(NCCN(CCO)C(=O)C#CC2CC2)cc[nH+]1 ZINC001111463801 854903694 /nfs/dbraw/zinc/90/36/94/854903694.db2.gz QWHHEMOYAAYXCT-UHFFFAOYSA-N 1 2 288.351 0.431 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001099713139 854974097 /nfs/dbraw/zinc/97/40/97/854974097.db2.gz LZPGKNXYIYYTIU-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1O ZINC001099727816 854979081 /nfs/dbraw/zinc/97/90/81/854979081.db2.gz SNKFOCKIZZGULH-KBPBESRZSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1O ZINC001099727816 854979084 /nfs/dbraw/zinc/97/90/84/854979084.db2.gz SNKFOCKIZZGULH-KBPBESRZSA-N 1 2 292.383 0.438 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001100354315 855154465 /nfs/dbraw/zinc/15/44/65/855154465.db2.gz WJTTVMZJNCMKKR-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO C=CCOCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100466353 855173771 /nfs/dbraw/zinc/17/37/71/855173771.db2.gz LNAUAIIMZACGRD-UHFFFAOYSA-N 1 2 278.356 0.930 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)c1nccn12 ZINC001101620089 855325966 /nfs/dbraw/zinc/32/59/66/855325966.db2.gz BMXKHIIIURBQNA-OLZOCXBDSA-N 1 2 297.362 0.638 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001101673080 855339870 /nfs/dbraw/zinc/33/98/70/855339870.db2.gz WJVBMZBBOJPXOJ-UHFFFAOYSA-N 1 2 285.311 0.115 20 30 CCEDLO CN(CCNc1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728683 855356693 /nfs/dbraw/zinc/35/66/93/855356693.db2.gz IBMOFWIQZONFSJ-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CCNCC#N ZINC001104132819 855571030 /nfs/dbraw/zinc/57/10/30/855571030.db2.gz BNOTVNDJHDHWKK-CHWSQXEVSA-N 1 2 289.383 0.940 20 30 CCEDLO Cc1nc(NCCCOCCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115390292 855669550 /nfs/dbraw/zinc/66/95/50/855669550.db2.gz FGWZMXZJUOXEOD-LLVKDONJSA-N 1 2 291.355 0.880 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC001116594652 855794764 /nfs/dbraw/zinc/79/47/64/855794764.db2.gz LOEJZFWDVQVEDE-ZWNOBZJWSA-N 1 2 278.360 0.520 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC001118035517 856142633 /nfs/dbraw/zinc/14/26/33/856142633.db2.gz HMZYBJBUPIDENN-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001119345062 856644033 /nfs/dbraw/zinc/64/40/33/856644033.db2.gz FGIQBFQZQMMZAL-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001119345062 856644034 /nfs/dbraw/zinc/64/40/34/856644034.db2.gz FGIQBFQZQMMZAL-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC001119384166 856662407 /nfs/dbraw/zinc/66/24/07/856662407.db2.gz UQLDWHFHMZPWMC-NEPJUHHUSA-N 1 2 298.383 0.754 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2csc(C#N)c2)C[C@@H]1CO ZINC001119596810 856767726 /nfs/dbraw/zinc/76/77/26/856767726.db2.gz WQFARUKMJJLCQP-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2csc(C#N)c2)C[C@@H]1CO ZINC001119596810 856767731 /nfs/dbraw/zinc/76/77/31/856767731.db2.gz WQFARUKMJJLCQP-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001323520831 912390901 /nfs/dbraw/zinc/39/09/01/912390901.db2.gz VPYZBBWBDVMERB-UHFFFAOYSA-N 1 2 289.383 0.747 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001393106977 912399323 /nfs/dbraw/zinc/39/93/23/912399323.db2.gz RGTZNLXGXFLBEW-ABAIWWIYSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001393106977 912399340 /nfs/dbraw/zinc/39/93/40/912399340.db2.gz RGTZNLXGXFLBEW-ABAIWWIYSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001324352191 912795816 /nfs/dbraw/zinc/79/58/16/912795816.db2.gz AYAQAYBKEJHKPP-UHFFFAOYSA-N 1 2 274.368 0.866 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC001480864486 891421549 /nfs/dbraw/zinc/42/15/49/891421549.db2.gz QAEQMYOXMNUQTR-LLVKDONJSA-N 1 2 281.381 0.729 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001480864486 891421555 /nfs/dbraw/zinc/42/15/55/891421555.db2.gz QAEQMYOXMNUQTR-LLVKDONJSA-N 1 2 281.381 0.729 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327732 891446717 /nfs/dbraw/zinc/44/67/17/891446717.db2.gz KUKNZUPWFPNQSR-GFCCVEGCSA-N 1 2 295.358 0.209 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327732 891446724 /nfs/dbraw/zinc/44/67/24/891446724.db2.gz KUKNZUPWFPNQSR-GFCCVEGCSA-N 1 2 295.358 0.209 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001481109081 892173360 /nfs/dbraw/zinc/17/33/60/892173360.db2.gz KQCFCOSQGKHISI-LLVKDONJSA-N 1 2 294.330 0.250 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001481109081 892173369 /nfs/dbraw/zinc/17/33/69/892173369.db2.gz KQCFCOSQGKHISI-LLVKDONJSA-N 1 2 294.330 0.250 20 30 CCEDLO C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001481154536 892237250 /nfs/dbraw/zinc/23/72/50/892237250.db2.gz KURUDGMSVCXQJB-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001481154536 892237267 /nfs/dbraw/zinc/23/72/67/892237267.db2.gz KURUDGMSVCXQJB-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001481555305 892820310 /nfs/dbraw/zinc/82/03/10/892820310.db2.gz IAIBRKKTGKLXRH-CZUORRHYSA-N 1 2 296.411 0.929 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cccs2)C1 ZINC001481609761 892892466 /nfs/dbraw/zinc/89/24/66/892892466.db2.gz OPZBIPJRUSDVDX-UHFFFAOYSA-N 1 2 291.376 0.159 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001481640155 892950431 /nfs/dbraw/zinc/95/04/31/892950431.db2.gz FGFOHYXOYASLBG-CYBMUJFWSA-N 1 2 291.395 0.220 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001481642470 892952165 /nfs/dbraw/zinc/95/21/65/892952165.db2.gz KEGHPHBQMZZTGU-INIZCTEOSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CCC1 ZINC001481706074 893054993 /nfs/dbraw/zinc/05/49/93/893054993.db2.gz PNJSDGYBIQLGJV-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CCC1 ZINC001481706074 893055012 /nfs/dbraw/zinc/05/50/12/893055012.db2.gz PNJSDGYBIQLGJV-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001481710960 893064115 /nfs/dbraw/zinc/06/41/15/893064115.db2.gz XHHVSCHAGCEGIJ-SECBINFHSA-N 1 2 275.299 0.086 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001481710960 893064137 /nfs/dbraw/zinc/06/41/37/893064137.db2.gz XHHVSCHAGCEGIJ-SECBINFHSA-N 1 2 275.299 0.086 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)NCC#N ZINC001481814051 893178480 /nfs/dbraw/zinc/17/84/80/893178480.db2.gz PZSWNLAZSIIPME-LBPRGKRZSA-N 1 2 289.383 0.770 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1csnn1 ZINC001284397211 893533059 /nfs/dbraw/zinc/53/30/59/893533059.db2.gz BNTRYXQENOBKSN-LBPRGKRZSA-N 1 2 296.396 0.106 20 30 CCEDLO CC[C@H](C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362316752 893545946 /nfs/dbraw/zinc/54/59/46/893545946.db2.gz AAMGJABIHLZXQP-PWSUYJOCSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)NCC#N ZINC001328414344 915178693 /nfs/dbraw/zinc/17/86/93/915178693.db2.gz NWVUQMBXHSSCOC-RYUDHWBXSA-N 1 2 263.345 0.842 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001482619894 894426292 /nfs/dbraw/zinc/42/62/92/894426292.db2.gz WIOAPDQWHYYTHK-UHFFFAOYSA-N 1 2 279.388 0.918 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001482619894 894426300 /nfs/dbraw/zinc/42/63/00/894426300.db2.gz WIOAPDQWHYYTHK-UHFFFAOYSA-N 1 2 279.388 0.918 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001482735354 894537985 /nfs/dbraw/zinc/53/79/85/894537985.db2.gz WUUBENOZJVESSO-JQWIXIFHSA-N 1 2 296.371 0.862 20 30 CCEDLO CN(CC#N)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001496847459 895078020 /nfs/dbraw/zinc/07/80/20/895078020.db2.gz IBTHAMQUPWKMSL-UHFFFAOYSA-N 1 2 263.345 0.577 20 30 CCEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030447032 895721568 /nfs/dbraw/zinc/72/15/68/895721568.db2.gz GINGWTCICHRRGW-NSHDSACASA-N 1 2 263.341 0.469 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCCOC)c1 ZINC001483691169 895864104 /nfs/dbraw/zinc/86/41/04/895864104.db2.gz CACMWVWXPHJICD-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCCOC)c1 ZINC001483691169 895864118 /nfs/dbraw/zinc/86/41/18/895864118.db2.gz CACMWVWXPHJICD-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001484032309 896155751 /nfs/dbraw/zinc/15/57/51/896155751.db2.gz MNLMMYUOMXKVBK-GFCCVEGCSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC001483891149 896108673 /nfs/dbraw/zinc/10/86/73/896108673.db2.gz VWLWWEVNVAYTOS-UHFFFAOYSA-N 1 2 278.356 0.379 20 30 CCEDLO C#CCN(C(=O)c1[nH]nnc1C)C1CC[NH+](CCF)CC1 ZINC001483985973 896141786 /nfs/dbraw/zinc/14/17/86/896141786.db2.gz PYGPOXSVIMQOGM-UHFFFAOYSA-N 1 2 293.346 0.622 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001484032309 896155740 /nfs/dbraw/zinc/15/57/40/896155740.db2.gz MNLMMYUOMXKVBK-GFCCVEGCSA-N 1 2 274.386 0.188 20 30 CCEDLO C[C@H](CC(=O)N[C@]1(C)CCN(CC#N)C1)n1cc[nH+]c1 ZINC001484061908 896179889 /nfs/dbraw/zinc/17/98/89/896179889.db2.gz YJDZCZNATLZSKC-TZMCWYRMSA-N 1 2 275.356 0.938 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCS(C)(=O)=O)C1 ZINC001484066347 896180889 /nfs/dbraw/zinc/18/08/89/896180889.db2.gz YXSKHVVYYUVUIT-CYBMUJFWSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)CCCS(C)(=O)=O)C1 ZINC001484066347 896180871 /nfs/dbraw/zinc/18/08/71/896180871.db2.gz YXSKHVVYYUVUIT-CYBMUJFWSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001484286872 896317064 /nfs/dbraw/zinc/31/70/64/896317064.db2.gz BDTVYEYDNMSTNH-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001484381555 896372448 /nfs/dbraw/zinc/37/24/48/896372448.db2.gz WUQHCCKLHAHZDO-WDEREUQCSA-N 1 2 261.329 0.160 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cscn2)C1 ZINC001484429821 896400499 /nfs/dbraw/zinc/40/04/99/896400499.db2.gz FQXXJSPRMGPDJF-ZDUSSCGKSA-N 1 2 279.365 0.333 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cscn2)C1 ZINC001484429821 896400507 /nfs/dbraw/zinc/40/05/07/896400507.db2.gz FQXXJSPRMGPDJF-ZDUSSCGKSA-N 1 2 279.365 0.333 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001484439124 896406145 /nfs/dbraw/zinc/40/61/45/896406145.db2.gz BKFUGCDLIUDNBC-GOEBONIOSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001484439124 896406147 /nfs/dbraw/zinc/40/61/47/896406147.db2.gz BKFUGCDLIUDNBC-GOEBONIOSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484439124 896406152 /nfs/dbraw/zinc/40/61/52/896406152.db2.gz BKFUGCDLIUDNBC-GOEBONIOSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484439124 896406157 /nfs/dbraw/zinc/40/61/57/896406157.db2.gz BKFUGCDLIUDNBC-GOEBONIOSA-N 1 2 295.427 0.600 20 30 CCEDLO C[C@H](F)CC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001326631161 914065186 /nfs/dbraw/zinc/06/51/86/914065186.db2.gz ANEGQFHYYIESIU-GXTWGEPZSA-N 1 2 282.359 0.965 20 30 CCEDLO C[C@H](F)CC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001326631161 914065204 /nfs/dbraw/zinc/06/52/04/914065204.db2.gz ANEGQFHYYIESIU-GXTWGEPZSA-N 1 2 282.359 0.965 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001485411154 897029860 /nfs/dbraw/zinc/02/98/60/897029860.db2.gz OGYHGOUJMGBKBK-ZIAGYGMSSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001485401492 897034959 /nfs/dbraw/zinc/03/49/59/897034959.db2.gz CRACOCGCDMGBIW-UHFFFAOYSA-N 1 2 288.351 0.629 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nnn(C)c2C)C1 ZINC001107837990 897335161 /nfs/dbraw/zinc/33/51/61/897335161.db2.gz QWDYNQWHRGHROW-CQSZACIVSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nnn(C)c2C)C1 ZINC001107837990 897335176 /nfs/dbraw/zinc/33/51/76/897335176.db2.gz QWDYNQWHRGHROW-CQSZACIVSA-N 1 2 293.371 0.130 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001326763976 914151312 /nfs/dbraw/zinc/15/13/12/914151312.db2.gz ZWSQRTMMLAASJC-GFCCVEGCSA-N 1 2 266.389 0.678 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868826 897394603 /nfs/dbraw/zinc/39/46/03/897394603.db2.gz ZGFOOUYEEXAOQH-MRXNPFEDSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868826 897394609 /nfs/dbraw/zinc/39/46/09/897394609.db2.gz ZGFOOUYEEXAOQH-MRXNPFEDSA-N 1 2 289.379 0.869 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001077752297 897413491 /nfs/dbraw/zinc/41/34/91/897413491.db2.gz MZUJMRFJSZPNOL-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001077752297 897413494 /nfs/dbraw/zinc/41/34/94/897413494.db2.gz MZUJMRFJSZPNOL-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1C ZINC001032395285 897433998 /nfs/dbraw/zinc/43/39/98/897433998.db2.gz WYAHBISBGUKJKM-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1C ZINC001032395285 897434001 /nfs/dbraw/zinc/43/40/01/897434001.db2.gz WYAHBISBGUKJKM-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(C)n2)C1 ZINC001107893630 897453584 /nfs/dbraw/zinc/45/35/84/897453584.db2.gz GMUPLLUWVQCOPV-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(C)n2)C1 ZINC001107893630 897453589 /nfs/dbraw/zinc/45/35/89/897453589.db2.gz GMUPLLUWVQCOPV-CQSZACIVSA-N 1 2 279.340 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2nc[nH]c21 ZINC001032415545 897523418 /nfs/dbraw/zinc/52/34/18/897523418.db2.gz ATJCHMXQPKQXST-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2nc[nH]c21 ZINC001032415545 897523432 /nfs/dbraw/zinc/52/34/32/897523432.db2.gz ATJCHMXQPKQXST-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(C)C)CC2 ZINC001127931525 897528940 /nfs/dbraw/zinc/52/89/40/897528940.db2.gz DMNNZGVYMOBSLU-GFCCVEGCSA-N 1 2 289.383 0.478 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)c1 ZINC001032482276 897632887 /nfs/dbraw/zinc/63/28/87/897632887.db2.gz VLMAOUHZTVNYNL-GJZGRUSLSA-N 1 2 297.358 0.708 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(N)=O)c1 ZINC001032482276 897632898 /nfs/dbraw/zinc/63/28/98/897632898.db2.gz VLMAOUHZTVNYNL-GJZGRUSLSA-N 1 2 297.358 0.708 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCn2nccc21 ZINC001032483571 897635905 /nfs/dbraw/zinc/63/59/05/897635905.db2.gz TVBYQWLHYHBPLS-MELADBBJSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCn2nccc21 ZINC001032483571 897635912 /nfs/dbraw/zinc/63/59/12/897635912.db2.gz TVBYQWLHYHBPLS-MELADBBJSA-N 1 2 284.363 0.679 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)nn1C ZINC001032518230 897689400 /nfs/dbraw/zinc/68/94/00/897689400.db2.gz SQODGIMZENDQFV-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)nn1C ZINC001032518230 897689415 /nfs/dbraw/zinc/68/94/15/897689415.db2.gz SQODGIMZENDQFV-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001032527600 897703608 /nfs/dbraw/zinc/70/36/08/897703608.db2.gz IARMVWAMDOBCFL-YYFQZIEXSA-N 1 2 274.364 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001032527600 897703623 /nfs/dbraw/zinc/70/36/23/897703623.db2.gz IARMVWAMDOBCFL-YYFQZIEXSA-N 1 2 274.364 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)co1 ZINC001032622994 897841983 /nfs/dbraw/zinc/84/19/83/897841983.db2.gz FJSXVCRNXBRDJQ-RYUDHWBXSA-N 1 2 287.319 0.301 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)co1 ZINC001032622994 897841991 /nfs/dbraw/zinc/84/19/91/897841991.db2.gz FJSXVCRNXBRDJQ-RYUDHWBXSA-N 1 2 287.319 0.301 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001077819615 897844035 /nfs/dbraw/zinc/84/40/35/897844035.db2.gz FRACQFVWPWLOAX-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001077819615 897844040 /nfs/dbraw/zinc/84/40/40/897844040.db2.gz FRACQFVWPWLOAX-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636416 897861900 /nfs/dbraw/zinc/86/19/00/897861900.db2.gz FZMQFRTXNSOELD-STQMWFEESA-N 1 2 273.340 0.046 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636416 897861910 /nfs/dbraw/zinc/86/19/10/897861910.db2.gz FZMQFRTXNSOELD-STQMWFEESA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnccn1 ZINC001032716431 897962820 /nfs/dbraw/zinc/96/28/20/897962820.db2.gz QWBBXKPCVPVNNJ-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnccn1 ZINC001032716431 897962831 /nfs/dbraw/zinc/96/28/31/897962831.db2.gz QWBBXKPCVPVNNJ-KBPBESRZSA-N 1 2 270.336 0.328 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001032721816 897979705 /nfs/dbraw/zinc/97/97/05/897979705.db2.gz JHCFTPQVKJLFHO-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001032721816 897979719 /nfs/dbraw/zinc/97/97/19/897979719.db2.gz JHCFTPQVKJLFHO-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@H]1CC ZINC001032721946 897980366 /nfs/dbraw/zinc/98/03/66/897980366.db2.gz NLXOHVVQPBWIHJ-RDBSUJKOSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@H]1CC ZINC001032721946 897980374 /nfs/dbraw/zinc/98/03/74/897980374.db2.gz NLXOHVVQPBWIHJ-RDBSUJKOSA-N 1 2 291.395 0.859 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1C ZINC001032759060 898116547 /nfs/dbraw/zinc/11/65/47/898116547.db2.gz WOEAFPVCTGLQEO-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1C ZINC001032759060 898116557 /nfs/dbraw/zinc/11/65/57/898116557.db2.gz WOEAFPVCTGLQEO-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N ZINC001078132536 898256667 /nfs/dbraw/zinc/25/66/67/898256667.db2.gz XJJOZEBRGKRECF-ZJUUUORDSA-N 1 2 291.355 0.431 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001078226961 898301742 /nfs/dbraw/zinc/30/17/42/898301742.db2.gz BIURYVIPBOZMOR-VXGBXAGGSA-N 1 2 293.392 0.043 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001078226961 898301750 /nfs/dbraw/zinc/30/17/50/898301750.db2.gz BIURYVIPBOZMOR-VXGBXAGGSA-N 1 2 293.392 0.043 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001078225264 898311013 /nfs/dbraw/zinc/31/10/13/898311013.db2.gz AIMQPQUOSXKUQN-RRFJBIMHSA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001078225264 898311023 /nfs/dbraw/zinc/31/10/23/898311023.db2.gz AIMQPQUOSXKUQN-RRFJBIMHSA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001078247456 898311104 /nfs/dbraw/zinc/31/11/04/898311104.db2.gz XTHKECWRYCXDSD-IAGOWNOFSA-N 1 2 298.386 0.892 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001078247456 898311111 /nfs/dbraw/zinc/31/11/11/898311111.db2.gz XTHKECWRYCXDSD-IAGOWNOFSA-N 1 2 298.386 0.892 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001078267762 898324282 /nfs/dbraw/zinc/32/42/82/898324282.db2.gz BIHVYIFNKCBTMI-UKRRQHHQSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001078267762 898324291 /nfs/dbraw/zinc/32/42/91/898324291.db2.gz BIHVYIFNKCBTMI-UKRRQHHQSA-N 1 2 287.363 0.161 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N(C)C1 ZINC001032803892 898391031 /nfs/dbraw/zinc/39/10/31/898391031.db2.gz PNFGZKAMAVAZKK-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N(C)C1 ZINC001032803892 898391043 /nfs/dbraw/zinc/39/10/43/898391043.db2.gz PNFGZKAMAVAZKK-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1ncc(C)o1 ZINC001485990643 898580148 /nfs/dbraw/zinc/58/01/48/898580148.db2.gz JWHXYKQKKOMKHX-CHWSQXEVSA-N 1 2 293.367 0.914 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1ncc(C)o1 ZINC001485990644 898580273 /nfs/dbraw/zinc/58/02/73/898580273.db2.gz JWHXYKQKKOMKHX-OLZOCXBDSA-N 1 2 293.367 0.914 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486022427 898596692 /nfs/dbraw/zinc/59/66/92/898596692.db2.gz BXAAFPRSQDRSAV-GFCCVEGCSA-N 1 2 281.356 0.844 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197000050 900060769 /nfs/dbraw/zinc/06/07/69/900060769.db2.gz IRFZNZVGQQKBEF-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197000050 900060780 /nfs/dbraw/zinc/06/07/80/900060780.db2.gz IRFZNZVGQQKBEF-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO C[C@H](c1nncn1C)[N@@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC001490163860 900546992 /nfs/dbraw/zinc/54/69/92/900546992.db2.gz DGSHYMLLOSRGBI-WDEREUQCSA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@H](c1nncn1C)[N@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC001490163860 900547003 /nfs/dbraw/zinc/54/70/03/900547003.db2.gz DGSHYMLLOSRGBI-WDEREUQCSA-N 1 2 278.360 0.474 20 30 CCEDLO CCn1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001490164105 900547034 /nfs/dbraw/zinc/54/70/34/900547034.db2.gz HOLPLWLNXUQEBA-NSHDSACASA-N 1 2 292.387 0.704 20 30 CCEDLO CCn1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001490164105 900547042 /nfs/dbraw/zinc/54/70/42/900547042.db2.gz HOLPLWLNXUQEBA-NSHDSACASA-N 1 2 292.387 0.704 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCCCN(CC#N)C1CC1 ZINC001490379054 900613708 /nfs/dbraw/zinc/61/37/08/900613708.db2.gz SFXGALFMYQEDGN-UHFFFAOYSA-N 1 2 289.383 0.847 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001490425752 900627988 /nfs/dbraw/zinc/62/79/88/900627988.db2.gz KVOARLMIZPDZSH-LLVKDONJSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001490425752 900627993 /nfs/dbraw/zinc/62/79/93/900627993.db2.gz KVOARLMIZPDZSH-LLVKDONJSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001490434405 900630358 /nfs/dbraw/zinc/63/03/58/900630358.db2.gz RGVOIDXTJBAFLT-YQJFHSMKSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001490434405 900630364 /nfs/dbraw/zinc/63/03/64/900630364.db2.gz RGVOIDXTJBAFLT-YQJFHSMKSA-N 1 2 279.384 0.835 20 30 CCEDLO COC[C@@H](C)[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490492301 900641519 /nfs/dbraw/zinc/64/15/19/900641519.db2.gz FSWMTPBHMDUBTK-ZIAGYGMSSA-N 1 2 296.415 0.162 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001490460839 900644925 /nfs/dbraw/zinc/64/49/25/900644925.db2.gz JOQKMSNIENZMQK-GFCCVEGCSA-N 1 2 292.339 0.222 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001490460839 900644936 /nfs/dbraw/zinc/64/49/36/900644936.db2.gz JOQKMSNIENZMQK-GFCCVEGCSA-N 1 2 292.339 0.222 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490528673 900647874 /nfs/dbraw/zinc/64/78/74/900647874.db2.gz NUCXXHCTEYPXGZ-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490528673 900647879 /nfs/dbraw/zinc/64/78/79/900647879.db2.gz NUCXXHCTEYPXGZ-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327312484 914473993 /nfs/dbraw/zinc/47/39/93/914473993.db2.gz HXLYJEWJMCNNEY-GFCCVEGCSA-N 1 2 276.340 0.566 20 30 CCEDLO COCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001327349709 914491144 /nfs/dbraw/zinc/49/11/44/914491144.db2.gz LPTONASWMZUWOQ-CQSZACIVSA-N 1 2 292.379 0.396 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001327351023 914493179 /nfs/dbraw/zinc/49/31/79/914493179.db2.gz XERMMMXOYFSEEL-NWDGAFQWSA-N 1 2 263.341 0.682 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCOC)CO2 ZINC001327372479 914503681 /nfs/dbraw/zinc/50/36/81/914503681.db2.gz NUBMXBJXACYUQR-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(COC)CC1)CO2 ZINC001327395694 914520371 /nfs/dbraw/zinc/52/03/71/914520371.db2.gz ASQMJPXFRCBTQW-ZDUSSCGKSA-N 1 2 292.379 0.396 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001327082297 902027537 /nfs/dbraw/zinc/02/75/37/902027537.db2.gz LSFUOXSSUKBORA-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491205899 903445901 /nfs/dbraw/zinc/44/59/01/903445901.db2.gz VRDHNXNDQKUDNL-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491205899 903445908 /nfs/dbraw/zinc/44/59/08/903445908.db2.gz VRDHNXNDQKUDNL-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001281967513 903993413 /nfs/dbraw/zinc/99/34/13/903993413.db2.gz HPRQWQIJQMKMOJ-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001281967513 903993425 /nfs/dbraw/zinc/99/34/25/903993425.db2.gz HPRQWQIJQMKMOJ-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280946429 904179825 /nfs/dbraw/zinc/17/98/25/904179825.db2.gz BPBSFRVTAQFCGP-QWHCGFSZSA-N 1 2 280.368 0.130 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280983850 904191232 /nfs/dbraw/zinc/19/12/32/904191232.db2.gz IRHPAHVYYPIRIM-GFCCVEGCSA-N 1 2 278.356 0.812 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H](C)SC)C1 ZINC001282514518 904499380 /nfs/dbraw/zinc/49/93/80/904499380.db2.gz QBBGHEJUSWKLCY-GFCCVEGCSA-N 1 2 284.425 0.704 20 30 CCEDLO CC(C)(C)C#CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283002956 904663718 /nfs/dbraw/zinc/66/37/18/904663718.db2.gz OCWQOSSONDLHHI-UHFFFAOYSA-N 1 2 276.340 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377232482 904708056 /nfs/dbraw/zinc/70/80/56/904708056.db2.gz MBGFGLJJTIGHGK-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377232482 904708068 /nfs/dbraw/zinc/70/80/68/904708068.db2.gz MBGFGLJJTIGHGK-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001377359396 904804570 /nfs/dbraw/zinc/80/45/70/904804570.db2.gz GXXMHUVODZLXAX-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001377359396 904804588 /nfs/dbraw/zinc/80/45/88/904804588.db2.gz GXXMHUVODZLXAX-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001283640674 904942580 /nfs/dbraw/zinc/94/25/80/904942580.db2.gz FAQVKPGNMCXYIJ-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO C=CCCC(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284890034 905468231 /nfs/dbraw/zinc/46/82/31/905468231.db2.gz ORPQNDBGYSIYNC-UHFFFAOYSA-N 1 2 290.367 0.646 20 30 CCEDLO O=C(C#CC1CC1)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001285970688 905826084 /nfs/dbraw/zinc/82/60/84/905826084.db2.gz DKHHKTMYKNCVGL-UHFFFAOYSA-N 1 2 286.335 0.131 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC001293715805 906507337 /nfs/dbraw/zinc/50/73/37/906507337.db2.gz LSTBZXKZHHKQNP-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC001293715805 906507348 /nfs/dbraw/zinc/50/73/48/906507348.db2.gz LSTBZXKZHHKQNP-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO C#CC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001335064089 906523737 /nfs/dbraw/zinc/52/37/37/906523737.db2.gz KRQGRLOYXRFUPH-UHFFFAOYSA-N 1 2 261.325 0.339 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001296848009 906970096 /nfs/dbraw/zinc/97/00/96/906970096.db2.gz MNFMCNSFLDNJDK-KBPBESRZSA-N 1 2 277.368 0.861 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001296848009 906970104 /nfs/dbraw/zinc/97/01/04/906970104.db2.gz MNFMCNSFLDNJDK-KBPBESRZSA-N 1 2 277.368 0.861 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)cn1 ZINC001491643998 907479732 /nfs/dbraw/zinc/47/97/32/907479732.db2.gz WFDSIXTXBJSLHC-SNVBAGLBSA-N 1 2 285.307 0.354 20 30 CCEDLO C[C@H](CC(=O)NCCCNC(=O)[C@@H](C)C#N)n1cc[nH+]c1 ZINC001491707240 907531387 /nfs/dbraw/zinc/53/13/87/907531387.db2.gz COWSVOBRMNKRAU-NWDGAFQWSA-N 1 2 291.355 0.616 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001302759182 908039636 /nfs/dbraw/zinc/03/96/36/908039636.db2.gz MKSAOOZIIRWRGK-AWEZNQCLSA-N 1 2 299.330 0.755 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001302759182 908039650 /nfs/dbraw/zinc/03/96/50/908039650.db2.gz MKSAOOZIIRWRGK-AWEZNQCLSA-N 1 2 299.330 0.755 20 30 CCEDLO C=CCCOCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001304090500 908144455 /nfs/dbraw/zinc/14/44/55/908144455.db2.gz HJYIDIMOXCJSEL-LLVKDONJSA-N 1 2 281.312 0.203 20 30 CCEDLO C=CCCOCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001304090500 908144462 /nfs/dbraw/zinc/14/44/62/908144462.db2.gz HJYIDIMOXCJSEL-LLVKDONJSA-N 1 2 281.312 0.203 20 30 CCEDLO C=CCNC(=[NH2+])NCc1nnc([C@@H]2CCCO2)[nH]1 ZINC001329225568 908740395 /nfs/dbraw/zinc/74/03/95/908740395.db2.gz LQQRXBCXEJSEFA-QMMMGPOBSA-N 1 2 250.306 0.456 20 30 CCEDLO CCn1ncc(C[N@H+](C)CCCNC(=O)C#CC2CC2)n1 ZINC001316824200 908791144 /nfs/dbraw/zinc/79/11/44/908791144.db2.gz VLAGUYNDORMPHR-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO CCn1ncc(C[N@@H+](C)CCCNC(=O)C#CC2CC2)n1 ZINC001316824200 908791153 /nfs/dbraw/zinc/79/11/53/908791153.db2.gz VLAGUYNDORMPHR-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO O=C(C#CC1CC1)NCCN1CC[NH+](CCF)CC1 ZINC001316963378 908872045 /nfs/dbraw/zinc/87/20/45/908872045.db2.gz MUNARXUWGVQUHT-UHFFFAOYSA-N 1 2 267.348 0.103 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC)C2)C1 ZINC001316985669 908903150 /nfs/dbraw/zinc/90/31/50/908903150.db2.gz HBZKLBPWODAKEE-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC)C2)C1 ZINC001316985669 908903163 /nfs/dbraw/zinc/90/31/63/908903163.db2.gz HBZKLBPWODAKEE-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001316990820 908905803 /nfs/dbraw/zinc/90/58/03/908905803.db2.gz JUUHBOWUDXLALC-SNVBAGLBSA-N 1 2 297.742 0.782 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001316990820 908905811 /nfs/dbraw/zinc/90/58/11/908905811.db2.gz JUUHBOWUDXLALC-SNVBAGLBSA-N 1 2 297.742 0.782 20 30 CCEDLO CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001317163777 909022281 /nfs/dbraw/zinc/02/22/81/909022281.db2.gz ALUSEDILSULMFF-LBPRGKRZSA-N 1 2 280.372 0.397 20 30 CCEDLO CCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001317163777 909022288 /nfs/dbraw/zinc/02/22/88/909022288.db2.gz ALUSEDILSULMFF-LBPRGKRZSA-N 1 2 280.372 0.397 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCCN(CC#N)C1 ZINC001317203910 909038558 /nfs/dbraw/zinc/03/85/58/909038558.db2.gz KIQSNHJNAQVQEI-QWHCGFSZSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001317447781 909217461 /nfs/dbraw/zinc/21/74/61/909217461.db2.gz HIQCHPFZCKSMHQ-ZDUSSCGKSA-N 1 2 290.367 0.371 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001317447781 909217475 /nfs/dbraw/zinc/21/74/75/909217475.db2.gz HIQCHPFZCKSMHQ-ZDUSSCGKSA-N 1 2 290.367 0.371 20 30 CCEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@H](CC)OC)CC1 ZINC001317817072 909509472 /nfs/dbraw/zinc/50/94/72/909509472.db2.gz VKPOYEKNVXQHAF-HNNXBMFYSA-N 1 2 295.427 0.511 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(CC#N)C1 ZINC001318160713 909647898 /nfs/dbraw/zinc/64/78/98/909647898.db2.gz BSTVMQCOGGOGGJ-SNVBAGLBSA-N 1 2 261.329 0.160 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CN(CC#N)C1 ZINC001318160713 909647912 /nfs/dbraw/zinc/64/79/12/909647912.db2.gz BSTVMQCOGGOGGJ-SNVBAGLBSA-N 1 2 261.329 0.160 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001389488686 909933181 /nfs/dbraw/zinc/93/31/81/909933181.db2.gz JOIKQAYQKPDMND-NSHDSACASA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001389488686 909933194 /nfs/dbraw/zinc/93/31/94/909933194.db2.gz JOIKQAYQKPDMND-NSHDSACASA-N 1 2 287.791 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C=C)C1 ZINC001319304497 910086793 /nfs/dbraw/zinc/08/67/93/910086793.db2.gz ICEWWGUYHSONRN-TZMCWYRMSA-N 1 2 268.357 0.317 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C=C)C1 ZINC001319304497 910086804 /nfs/dbraw/zinc/08/68/04/910086804.db2.gz ICEWWGUYHSONRN-TZMCWYRMSA-N 1 2 268.357 0.317 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001319922264 910354483 /nfs/dbraw/zinc/35/44/83/910354483.db2.gz MAMQHAGFHBHWQH-TZMCWYRMSA-N 1 2 289.383 0.699 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001390800419 910691456 /nfs/dbraw/zinc/69/14/56/910691456.db2.gz ZBCXKKXRVHGNLF-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001390800419 910691464 /nfs/dbraw/zinc/69/14/64/910691464.db2.gz ZBCXKKXRVHGNLF-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC001320949082 910953284 /nfs/dbraw/zinc/95/32/84/910953284.db2.gz JUKGBVSHLLBBOT-NSHDSACASA-N 1 2 293.371 0.024 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC001320949082 910953300 /nfs/dbraw/zinc/95/33/00/910953300.db2.gz JUKGBVSHLLBBOT-NSHDSACASA-N 1 2 293.371 0.024 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001391543717 911210551 /nfs/dbraw/zinc/21/05/51/911210551.db2.gz GXIQMQTVLUFRPE-NWDGAFQWSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001391543717 911210564 /nfs/dbraw/zinc/21/05/64/911210564.db2.gz GXIQMQTVLUFRPE-NWDGAFQWSA-N 1 2 288.775 0.735 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001323194688 912170826 /nfs/dbraw/zinc/17/08/26/912170826.db2.gz RCPAMDSJKIGIIH-KBPBESRZSA-N 1 2 280.368 0.396 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001323194688 912170837 /nfs/dbraw/zinc/17/08/37/912170837.db2.gz RCPAMDSJKIGIIH-KBPBESRZSA-N 1 2 280.368 0.396 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001328554637 915272754 /nfs/dbraw/zinc/27/27/54/915272754.db2.gz GLWDYYGKVZWJRN-LBPRGKRZSA-N 1 2 290.367 0.771 20 30 CCEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001399910080 915437827 /nfs/dbraw/zinc/43/78/27/915437827.db2.gz YYXVZTUBLPGBML-RYUDHWBXSA-N 1 2 290.371 0.396 20 30 CCEDLO CCn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001399910080 915437839 /nfs/dbraw/zinc/43/78/39/915437839.db2.gz YYXVZTUBLPGBML-RYUDHWBXSA-N 1 2 290.371 0.396 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001339633971 921783191 /nfs/dbraw/zinc/78/31/91/921783191.db2.gz LBWAUZNKIARLKK-WDEREUQCSA-N 1 2 265.361 0.658 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001339633971 921783199 /nfs/dbraw/zinc/78/31/99/921783199.db2.gz LBWAUZNKIARLKK-WDEREUQCSA-N 1 2 265.361 0.658 20 30 CCEDLO COc1cc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)on1 ZINC001400481584 915766855 /nfs/dbraw/zinc/76/68/55/915766855.db2.gz ZMAJSUWPVLOHJY-SECBINFHSA-N 1 2 278.312 0.391 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439669 915915372 /nfs/dbraw/zinc/91/53/72/915915372.db2.gz BAFGAWCCNJANQS-UWVGGRQHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439669 915915393 /nfs/dbraw/zinc/91/53/93/915915393.db2.gz BAFGAWCCNJANQS-UWVGGRQHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001329439669 915915414 /nfs/dbraw/zinc/91/54/14/915915414.db2.gz BAFGAWCCNJANQS-UWVGGRQHSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001329439669 915915423 /nfs/dbraw/zinc/91/54/23/915915423.db2.gz BAFGAWCCNJANQS-UWVGGRQHSA-N 1 2 298.280 0.973 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001329561839 916013794 /nfs/dbraw/zinc/01/37/94/916013794.db2.gz SWKWCONKQFPFNS-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO CC[NH+]1CC(CCO)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001329651221 916099450 /nfs/dbraw/zinc/09/94/50/916099450.db2.gz DAGQEXDHCHSMAO-UHFFFAOYSA-N 1 2 262.313 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2CC(OCC)C2)C1 ZINC001329655367 916102749 /nfs/dbraw/zinc/10/27/49/916102749.db2.gz KDHLCCNIEFOCOX-UHFFFAOYSA-N 1 2 296.411 0.931 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001401202606 916109564 /nfs/dbraw/zinc/10/95/64/916109564.db2.gz NJDKQPPABNKCOL-NXEZZACHSA-N 1 2 279.344 0.728 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001329692266 916133307 /nfs/dbraw/zinc/13/33/07/916133307.db2.gz AXEPZVAJWXSWJY-AWEZNQCLSA-N 1 2 284.400 0.524 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001401746319 916556679 /nfs/dbraw/zinc/55/66/79/916556679.db2.gz AUGLSIVMIVGJPQ-UWVGGRQHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001401746319 916556689 /nfs/dbraw/zinc/55/66/89/916556689.db2.gz AUGLSIVMIVGJPQ-UWVGGRQHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001401746317 916557190 /nfs/dbraw/zinc/55/71/90/916557190.db2.gz AUGLSIVMIVGJPQ-NXEZZACHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001401746317 916557202 /nfs/dbraw/zinc/55/72/02/916557202.db2.gz AUGLSIVMIVGJPQ-NXEZZACHSA-N 1 2 290.795 0.622 20 30 CCEDLO COCC#CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001330716738 916815205 /nfs/dbraw/zinc/81/52/05/916815205.db2.gz URKUQSXVIUGKDF-UHFFFAOYSA-N 1 2 273.336 0.948 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001331787011 917606747 /nfs/dbraw/zinc/60/67/47/917606747.db2.gz GEMKQNPPLGKDLF-FZMZJTMJSA-N 1 2 296.371 0.547 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001404436622 918345811 /nfs/dbraw/zinc/34/58/11/918345811.db2.gz VMLUBCYJAKLZJA-NEPJUHHUSA-N 1 2 291.355 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406652368 919411895 /nfs/dbraw/zinc/41/18/95/919411895.db2.gz LYSPGOVPUIYTNW-VHSXEESVSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406652368 919411907 /nfs/dbraw/zinc/41/19/07/919411907.db2.gz LYSPGOVPUIYTNW-VHSXEESVSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncoc2C)C1 ZINC001407361794 919718308 /nfs/dbraw/zinc/71/83/08/919718308.db2.gz VZMPTFRBVIDGDO-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncoc2C)C1 ZINC001407361794 919718318 /nfs/dbraw/zinc/71/83/18/919718318.db2.gz VZMPTFRBVIDGDO-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001336069463 920592345 /nfs/dbraw/zinc/59/23/45/920592345.db2.gz AGTXOEYHJXWMKW-ZDUSSCGKSA-N 1 2 262.313 0.333 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001336069463 920592354 /nfs/dbraw/zinc/59/23/54/920592354.db2.gz AGTXOEYHJXWMKW-ZDUSSCGKSA-N 1 2 262.313 0.333 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001418456560 922141930 /nfs/dbraw/zinc/14/19/30/922141930.db2.gz MDBSYUDJBWGSRV-UHFFFAOYSA-N 1 2 291.355 0.073 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001418456560 922141939 /nfs/dbraw/zinc/14/19/39/922141939.db2.gz MDBSYUDJBWGSRV-UHFFFAOYSA-N 1 2 291.355 0.073 20 30 CCEDLO C=C(C)C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC001340895985 922265318 /nfs/dbraw/zinc/26/53/18/922265318.db2.gz LNYFJZNIVDPPDU-YUMQZZPRSA-N 1 2 264.272 0.593 20 30 CCEDLO C#CC1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001341720290 922643587 /nfs/dbraw/zinc/64/35/87/922643587.db2.gz SXMZKOFVZPIRSI-OLZOCXBDSA-N 1 2 289.383 0.402 20 30 CCEDLO C#CC1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001341720290 922643595 /nfs/dbraw/zinc/64/35/95/922643595.db2.gz SXMZKOFVZPIRSI-OLZOCXBDSA-N 1 2 289.383 0.402 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001419134877 922653667 /nfs/dbraw/zinc/65/36/67/922653667.db2.gz LEPRWSFSXRZYNV-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001419134877 922653676 /nfs/dbraw/zinc/65/36/76/922653676.db2.gz LEPRWSFSXRZYNV-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001419648518 922969491 /nfs/dbraw/zinc/96/94/91/922969491.db2.gz LFKCLDVLPLLXIW-UWVGGRQHSA-N 1 2 294.359 0.232 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001342723308 923069520 /nfs/dbraw/zinc/06/95/20/923069520.db2.gz XARRSHXTYKIZPU-NEPJUHHUSA-N 1 2 263.341 0.870 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001342723308 923069535 /nfs/dbraw/zinc/06/95/35/923069535.db2.gz XARRSHXTYKIZPU-NEPJUHHUSA-N 1 2 263.341 0.870 20 30 CCEDLO C#CC[C@@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001343539287 923365997 /nfs/dbraw/zinc/36/59/97/923365997.db2.gz XVFXCDNBBJBOQF-MCIONIFRSA-N 1 2 281.352 0.821 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001420349091 923568076 /nfs/dbraw/zinc/56/80/76/923568076.db2.gz IHSXQOZOHAWWMC-LLVKDONJSA-N 1 2 297.790 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001420349091 923568087 /nfs/dbraw/zinc/56/80/87/923568087.db2.gz IHSXQOZOHAWWMC-LLVKDONJSA-N 1 2 297.790 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001420633304 923839551 /nfs/dbraw/zinc/83/95/51/923839551.db2.gz LTHNDKZXTVRRGJ-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001420633304 923839563 /nfs/dbraw/zinc/83/95/63/923839563.db2.gz LTHNDKZXTVRRGJ-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001479910968 924715675 /nfs/dbraw/zinc/71/56/75/924715675.db2.gz ABDMIJSMVCKDJA-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001479910968 924715680 /nfs/dbraw/zinc/71/56/80/924715680.db2.gz ABDMIJSMVCKDJA-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001479947804 924903578 /nfs/dbraw/zinc/90/35/78/924903578.db2.gz KSSAOXMKHZSYJU-ONGXEEELSA-N 1 2 262.313 0.833 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001479947804 924903585 /nfs/dbraw/zinc/90/35/85/924903585.db2.gz KSSAOXMKHZSYJU-ONGXEEELSA-N 1 2 262.313 0.833 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001479964828 924966325 /nfs/dbraw/zinc/96/63/25/924966325.db2.gz AEQZOXCKZRXFLP-NSHDSACASA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001479964828 924966330 /nfs/dbraw/zinc/96/63/30/924966330.db2.gz AEQZOXCKZRXFLP-NSHDSACASA-N 1 2 288.413 0.576 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001350563052 925225554 /nfs/dbraw/zinc/22/55/54/925225554.db2.gz SZUJWXJXJCXCEF-SKDRFNHKSA-N 1 2 250.302 0.510 20 30 CCEDLO C#CC1(O)CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC001350842429 925294844 /nfs/dbraw/zinc/29/48/44/925294844.db2.gz NWQQEDJEJRPKTE-LBPRGKRZSA-N 1 2 276.340 0.441 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC001413853295 925725865 /nfs/dbraw/zinc/72/58/65/925725865.db2.gz XYUYAEXUFLFZLV-LLVKDONJSA-N 1 2 288.263 0.319 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001421304213 926665967 /nfs/dbraw/zinc/66/59/67/926665967.db2.gz SZLXSQKDIOZGDJ-SNVBAGLBSA-N 1 2 288.779 0.201 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001421304213 926665976 /nfs/dbraw/zinc/66/59/76/926665976.db2.gz SZLXSQKDIOZGDJ-SNVBAGLBSA-N 1 2 288.779 0.201 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001421303532 926666300 /nfs/dbraw/zinc/66/63/00/926666300.db2.gz GIRHBGHHZUJOPZ-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001421303532 926666306 /nfs/dbraw/zinc/66/63/06/926666306.db2.gz GIRHBGHHZUJOPZ-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001422979087 927614362 /nfs/dbraw/zinc/61/43/62/927614362.db2.gz AHQQKANHNKZXBQ-SKDRFNHKSA-N 1 2 291.355 0.864 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362267398 927802774 /nfs/dbraw/zinc/80/27/74/927802774.db2.gz IVOCVPABPCSHQK-WFASDCNBSA-N 1 2 293.367 0.822 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cn(C)nn2)CC1 ZINC001423499408 927895442 /nfs/dbraw/zinc/89/54/42/927895442.db2.gz DGVJPPLKVKLPCA-NSHDSACASA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001425055109 928413372 /nfs/dbraw/zinc/41/33/72/928413372.db2.gz DDCRGTSRHGUSOY-SNVBAGLBSA-N 1 2 271.752 0.467 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001425055109 928413378 /nfs/dbraw/zinc/41/33/78/928413378.db2.gz DDCRGTSRHGUSOY-SNVBAGLBSA-N 1 2 271.752 0.467 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)N(C)CCC#N ZINC001363213445 928980825 /nfs/dbraw/zinc/98/08/25/928980825.db2.gz VQZFGFRTFCKCEV-GFCCVEGCSA-N 1 2 299.371 0.258 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC001363213445 928980835 /nfs/dbraw/zinc/98/08/35/928980835.db2.gz VQZFGFRTFCKCEV-GFCCVEGCSA-N 1 2 299.371 0.258 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1cnc(C#N)cn1 ZINC001374795915 930666610 /nfs/dbraw/zinc/66/66/10/930666610.db2.gz PLNJLWDFWNFJBO-UHFFFAOYSA-N 1 2 299.338 0.175 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)nn1C ZINC001375643192 930940649 /nfs/dbraw/zinc/94/06/49/930940649.db2.gz BOYHNIUPGGGXQM-SUHUHFCYSA-N 1 2 289.383 0.967 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)nn1C ZINC001375643192 930940654 /nfs/dbraw/zinc/94/06/54/930940654.db2.gz BOYHNIUPGGGXQM-SUHUHFCYSA-N 1 2 289.383 0.967 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001376126252 931058791 /nfs/dbraw/zinc/05/87/91/931058791.db2.gz PKMBVCOQZYHMBE-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001376126252 931058796 /nfs/dbraw/zinc/05/87/96/931058796.db2.gz PKMBVCOQZYHMBE-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001449249578 931110647 /nfs/dbraw/zinc/11/06/47/931110647.db2.gz MAVOIBVSDWHGFQ-UHFFFAOYSA-N 1 2 291.355 0.154 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001449249578 931110652 /nfs/dbraw/zinc/11/06/52/931110652.db2.gz MAVOIBVSDWHGFQ-UHFFFAOYSA-N 1 2 291.355 0.154 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001377170751 931414865 /nfs/dbraw/zinc/41/48/65/931414865.db2.gz DXGPVXPMRYIENB-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001377170751 931414869 /nfs/dbraw/zinc/41/48/69/931414869.db2.gz DXGPVXPMRYIENB-LLVKDONJSA-N 1 2 287.791 0.655 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#N)[C@@H](CC)CN1C(C)=O ZINC000350477818 529385430 /nfs/dbraw/zinc/38/54/30/529385430.db2.gz MHGYCGFWHMTIHB-QWHCGFSZSA-N 1 2 280.372 0.347 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#N)[C@@H](CC)CN1C(C)=O ZINC000350477818 529385432 /nfs/dbraw/zinc/38/54/32/529385432.db2.gz MHGYCGFWHMTIHB-QWHCGFSZSA-N 1 2 280.372 0.347 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000600420088 361955277 /nfs/dbraw/zinc/95/52/77/361955277.db2.gz INOVRGUAXCUSOH-JTQLQIEISA-N 1 2 295.289 0.897 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000600420088 361955284 /nfs/dbraw/zinc/95/52/84/361955284.db2.gz INOVRGUAXCUSOH-JTQLQIEISA-N 1 2 295.289 0.897 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)cn1 ZINC000107587356 349739469 /nfs/dbraw/zinc/73/94/69/349739469.db2.gz BFHAVAIDICSBIB-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110490717 349760445 /nfs/dbraw/zinc/76/04/45/349760445.db2.gz FIFRNOYBKSAXSJ-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110490717 349760448 /nfs/dbraw/zinc/76/04/48/349760448.db2.gz FIFRNOYBKSAXSJ-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO N#Cc1cccc(N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176047 362167152 /nfs/dbraw/zinc/16/71/52/362167152.db2.gz DXTRDGHPGUQDLI-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO CCOC(=O)CCc1cc(NCC#CCO)nc(C)[nH+]1 ZINC000601162500 362162820 /nfs/dbraw/zinc/16/28/20/362162820.db2.gz QGUGCTFHLSBMIV-UHFFFAOYSA-N 1 2 277.324 0.110 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000049065850 260203687 /nfs/dbraw/zinc/20/36/87/260203687.db2.gz YJXUTNKINALHEF-UHFFFAOYSA-N 1 2 270.358 0.809 20 30 CCEDLO C[C@@H](NC(=O)N1CCN(CCC#N)CC1)c1[nH+]ccn1C ZINC000601626003 362330409 /nfs/dbraw/zinc/33/04/09/362330409.db2.gz OJBQSUJDIHFRMR-GFCCVEGCSA-N 1 2 290.371 0.722 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000601638154 362335515 /nfs/dbraw/zinc/33/55/15/362335515.db2.gz FEKUQSUREBIJTB-MRVPVSSYSA-N 1 2 256.269 0.101 20 30 CCEDLO CN(CCC#N)C[C@@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000601961819 362439266 /nfs/dbraw/zinc/43/92/66/362439266.db2.gz AGHMXPLNGQUIHX-GFCCVEGCSA-N 1 2 253.346 0.058 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC2(C1)CCCO2 ZINC000601961819 362439267 /nfs/dbraw/zinc/43/92/67/362439267.db2.gz AGHMXPLNGQUIHX-GFCCVEGCSA-N 1 2 253.346 0.058 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC2(C1)CCCO2 ZINC000601961819 362439268 /nfs/dbraw/zinc/43/92/68/362439268.db2.gz AGHMXPLNGQUIHX-GFCCVEGCSA-N 1 2 253.346 0.058 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000127249326 187292040 /nfs/dbraw/zinc/29/20/40/187292040.db2.gz JKUGBEULMFPYHC-LLVKDONJSA-N 1 2 275.356 0.252 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000602167634 362538331 /nfs/dbraw/zinc/53/83/31/362538331.db2.gz PHPAGOQZGNEREN-SNVBAGLBSA-N 1 2 269.308 0.838 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCN(C)C2=O)cs1 ZINC000072920056 260278956 /nfs/dbraw/zinc/27/89/56/260278956.db2.gz ZWCLGOSHIPFCMF-SECBINFHSA-N 1 2 268.342 0.514 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cc(C(=O)OCC)no1 ZINC000602584852 362692617 /nfs/dbraw/zinc/69/26/17/362692617.db2.gz BOPMEVRLASFJNZ-UHFFFAOYSA-N 1 2 267.285 0.243 20 30 CCEDLO C=C(C)C[C@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OC ZINC000602733826 362774733 /nfs/dbraw/zinc/77/47/33/362774733.db2.gz LFXJZLZYNFSIKE-QWRGUYRKSA-N 1 2 254.330 0.753 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602781026 362797890 /nfs/dbraw/zinc/79/78/90/362797890.db2.gz NCYFJPIVTUWJDM-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602781026 362797894 /nfs/dbraw/zinc/79/78/94/362797894.db2.gz NCYFJPIVTUWJDM-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCC1(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000602763923 362788771 /nfs/dbraw/zinc/78/87/71/362788771.db2.gz FQPWVXUXPPDYCH-UHFFFAOYSA-N 1 2 290.367 0.103 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC1(O)CCOCC1 ZINC000602837200 362826364 /nfs/dbraw/zinc/82/63/64/362826364.db2.gz LPXSBBVXLLEHSD-CYBMUJFWSA-N 1 2 268.357 0.681 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC1(O)CCOCC1 ZINC000602837200 362826369 /nfs/dbraw/zinc/82/63/69/362826369.db2.gz LPXSBBVXLLEHSD-CYBMUJFWSA-N 1 2 268.357 0.681 20 30 CCEDLO C[C@H](c1nncn1C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849285 362836521 /nfs/dbraw/zinc/83/65/21/362836521.db2.gz KWJIZCISCNDZHU-SDDRHHMPSA-N 1 2 262.361 0.794 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H](C)N1CC#N ZINC000602857299 362843228 /nfs/dbraw/zinc/84/32/28/362843228.db2.gz QNGZGAZLSXEUQZ-HZSPNIEDSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H](C)N1CC#N ZINC000602857299 362843234 /nfs/dbraw/zinc/84/32/34/362843234.db2.gz QNGZGAZLSXEUQZ-HZSPNIEDSA-N 1 2 294.399 0.200 20 30 CCEDLO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602862674 362847311 /nfs/dbraw/zinc/84/73/11/362847311.db2.gz LPGCJQVPKYDFCX-SMDDNHRTSA-N 1 2 288.351 0.482 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)o1 ZINC000344184398 137182129 /nfs/dbraw/zinc/18/21/29/137182129.db2.gz ACSZKROLCWCLTL-UHFFFAOYSA-N 1 2 292.320 0.937 20 30 CCEDLO N#CCN(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000602880558 362860413 /nfs/dbraw/zinc/86/04/13/362860413.db2.gz HADVRPYXGIQJIA-LBPRGKRZSA-N 1 2 255.387 0.650 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000041992809 348263960 /nfs/dbraw/zinc/26/39/60/348263960.db2.gz MPLGMTKNHAZBMD-LLVKDONJSA-N 1 2 297.318 0.898 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000042246292 348271441 /nfs/dbraw/zinc/27/14/41/348271441.db2.gz ZZHGWUSIPNMANT-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000042246273 348271600 /nfs/dbraw/zinc/27/16/00/348271600.db2.gz CWANALHMEGGDQQ-CYBMUJFWSA-N 1 2 279.384 0.740 20 30 CCEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H](CO)C1 ZINC000602906570 362880929 /nfs/dbraw/zinc/88/09/29/362880929.db2.gz XDGVMPYGDCRWQZ-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H](CO)C1 ZINC000602906570 362880931 /nfs/dbraw/zinc/88/09/31/362880931.db2.gz XDGVMPYGDCRWQZ-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000046061348 348349048 /nfs/dbraw/zinc/34/90/48/348349048.db2.gz BZYLRRGRXBJOAW-UHFFFAOYSA-N 1 2 269.389 0.854 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000046061348 348349050 /nfs/dbraw/zinc/34/90/50/348349050.db2.gz BZYLRRGRXBJOAW-UHFFFAOYSA-N 1 2 269.389 0.854 20 30 CCEDLO CCC(C#N)(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000044765033 348326743 /nfs/dbraw/zinc/32/67/43/348326743.db2.gz TWKRZHHPYVHXHW-UHFFFAOYSA-N 1 2 253.346 0.765 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000602938380 362898873 /nfs/dbraw/zinc/89/88/73/362898873.db2.gz PLZULVNFJFTJJP-LLVKDONJSA-N 1 2 263.345 0.911 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000602938380 362898878 /nfs/dbraw/zinc/89/88/78/362898878.db2.gz PLZULVNFJFTJJP-LLVKDONJSA-N 1 2 263.345 0.911 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000047263119 348373338 /nfs/dbraw/zinc/37/33/38/348373338.db2.gz XYIJRLSZFFSBLV-RISCZKNCSA-N 1 2 282.388 0.497 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000047263119 348373339 /nfs/dbraw/zinc/37/33/39/348373339.db2.gz XYIJRLSZFFSBLV-RISCZKNCSA-N 1 2 282.388 0.497 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602974424 362915912 /nfs/dbraw/zinc/91/59/12/362915912.db2.gz OAZYMTUXIGWFAP-HZSPNIEDSA-N 1 2 267.373 0.304 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975157 362918935 /nfs/dbraw/zinc/91/89/35/362918935.db2.gz YSVSSJXMTQTGKU-QWRGUYRKSA-N 1 2 266.345 0.846 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975157 362918940 /nfs/dbraw/zinc/91/89/40/362918940.db2.gz YSVSSJXMTQTGKU-QWRGUYRKSA-N 1 2 266.345 0.846 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@@H+]1CCO ZINC000347531754 137341432 /nfs/dbraw/zinc/34/14/32/137341432.db2.gz VZZXGKLDUPOXRP-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CC[N@H+]1CCO ZINC000347531754 137341433 /nfs/dbraw/zinc/34/14/33/137341433.db2.gz VZZXGKLDUPOXRP-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346633 348553305 /nfs/dbraw/zinc/55/33/05/348553305.db2.gz PWGOGHBBPQZKSP-WDEREUQCSA-N 1 2 267.329 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346633 348553309 /nfs/dbraw/zinc/55/33/09/348553309.db2.gz PWGOGHBBPQZKSP-WDEREUQCSA-N 1 2 267.329 0.252 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)C[C@H](C)C#N ZINC000064249260 348697802 /nfs/dbraw/zinc/69/78/02/348697802.db2.gz NLZAZTYBEIKQSH-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)C[C@H](C)C#N ZINC000064249260 348697805 /nfs/dbraw/zinc/69/78/05/348697805.db2.gz NLZAZTYBEIKQSH-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108749 348943302 /nfs/dbraw/zinc/94/33/02/348943302.db2.gz IVSQZMATVVQPRA-ZDUSSCGKSA-N 1 2 299.378 0.766 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccccc1C#N ZINC000071276194 348907097 /nfs/dbraw/zinc/90/70/97/348907097.db2.gz DFADOSBDZUTYRD-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO C[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072679841 348927778 /nfs/dbraw/zinc/92/77/78/348927778.db2.gz CFQRXWZTLIOHDE-OLZOCXBDSA-N 1 2 265.357 0.717 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](O)C1 ZINC000074323783 348984864 /nfs/dbraw/zinc/98/48/64/348984864.db2.gz PZQKLGCUOHFJBO-CMPLNLGQSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](O)C1 ZINC000074323783 348984866 /nfs/dbraw/zinc/98/48/66/348984866.db2.gz PZQKLGCUOHFJBO-CMPLNLGQSA-N 1 2 259.309 0.952 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000076198818 349073801 /nfs/dbraw/zinc/07/38/01/349073801.db2.gz UJFYQBGAJUYIOC-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000076198818 349073805 /nfs/dbraw/zinc/07/38/05/349073805.db2.gz UJFYQBGAJUYIOC-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076047520 349064925 /nfs/dbraw/zinc/06/49/25/349064925.db2.gz ZNAHOBCIDRLWFZ-UHFFFAOYSA-N 1 2 266.366 0.838 20 30 CCEDLO C#CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076047520 349064928 /nfs/dbraw/zinc/06/49/28/349064928.db2.gz ZNAHOBCIDRLWFZ-UHFFFAOYSA-N 1 2 266.366 0.838 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000084203704 349316737 /nfs/dbraw/zinc/31/67/37/349316737.db2.gz UIUKHJHMCFFWTL-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000084203704 349316739 /nfs/dbraw/zinc/31/67/39/349316739.db2.gz UIUKHJHMCFFWTL-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)NC)CC1 ZINC000084710506 349325677 /nfs/dbraw/zinc/32/56/77/349325677.db2.gz QTGDDWAOWSCJHN-UHFFFAOYSA-N 1 2 280.372 0.144 20 30 CCEDLO N#Cc1cnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cn1 ZINC000133134898 350326969 /nfs/dbraw/zinc/32/69/69/350326969.db2.gz VKVJKNFZMMDRLG-UHFFFAOYSA-N 1 2 295.306 0.423 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000154080365 350574474 /nfs/dbraw/zinc/57/44/74/350574474.db2.gz HIYDIUYJDACXOO-JTQLQIEISA-N 1 2 283.353 0.665 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000154080365 350574477 /nfs/dbraw/zinc/57/44/77/350574477.db2.gz HIYDIUYJDACXOO-JTQLQIEISA-N 1 2 283.353 0.665 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCO)CCCO ZINC000109799206 186273929 /nfs/dbraw/zinc/27/39/29/186273929.db2.gz GQPRDXKEEZBVBY-UHFFFAOYSA-N 1 2 283.353 0.235 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCO)CCCO ZINC000109799206 186273931 /nfs/dbraw/zinc/27/39/31/186273931.db2.gz GQPRDXKEEZBVBY-UHFFFAOYSA-N 1 2 283.353 0.235 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnc(C#N)c1 ZINC000603137322 362973448 /nfs/dbraw/zinc/97/34/48/362973448.db2.gz FMQCPPMFTWGOAO-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO Cc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000162696736 350750048 /nfs/dbraw/zinc/75/00/48/350750048.db2.gz QNSSQWMADPABAI-UHFFFAOYSA-N 1 2 275.316 0.620 20 30 CCEDLO Cc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000162696736 350750053 /nfs/dbraw/zinc/75/00/53/350750053.db2.gz QNSSQWMADPABAI-UHFFFAOYSA-N 1 2 275.316 0.620 20 30 CCEDLO CO[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162518050 350744790 /nfs/dbraw/zinc/74/47/90/350744790.db2.gz ZDGGHBFPFMUAEG-GFCCVEGCSA-N 1 2 269.345 0.096 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000171975926 350949029 /nfs/dbraw/zinc/94/90/29/350949029.db2.gz RPZBZYXUWHCIHP-CQSZACIVSA-N 1 2 293.411 0.562 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000171975926 350949033 /nfs/dbraw/zinc/94/90/33/350949033.db2.gz RPZBZYXUWHCIHP-CQSZACIVSA-N 1 2 293.411 0.562 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000172019402 350953493 /nfs/dbraw/zinc/95/34/93/350953493.db2.gz USKSYGRMTJRVKA-AWEZNQCLSA-N 1 2 285.347 0.769 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000172019402 350953496 /nfs/dbraw/zinc/95/34/96/350953496.db2.gz USKSYGRMTJRVKA-AWEZNQCLSA-N 1 2 285.347 0.769 20 30 CCEDLO N#Cc1cccc(OCCn2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000603210113 363000610 /nfs/dbraw/zinc/00/06/10/363000610.db2.gz UQWFUVYADAOLMP-OAHLLOKOSA-N 1 2 299.334 0.890 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175872739 351146408 /nfs/dbraw/zinc/14/64/08/351146408.db2.gz CFPPOKNVFVBZQZ-QWHCGFSZSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175872739 351146411 /nfs/dbraw/zinc/14/64/11/351146411.db2.gz CFPPOKNVFVBZQZ-QWHCGFSZSA-N 1 2 294.399 0.509 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181214195 351307032 /nfs/dbraw/zinc/30/70/32/351307032.db2.gz KZQYABOIXUGRHY-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187429755 351542466 /nfs/dbraw/zinc/54/24/66/351542466.db2.gz OCMZSBKESSNDJB-OLZOCXBDSA-N 1 2 279.384 0.773 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187429755 351542468 /nfs/dbraw/zinc/54/24/68/351542468.db2.gz OCMZSBKESSNDJB-OLZOCXBDSA-N 1 2 279.384 0.773 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1(C)C ZINC000603373697 363094968 /nfs/dbraw/zinc/09/49/68/363094968.db2.gz DRQFOZBZAWSEBW-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1(C)C ZINC000603373697 363094973 /nfs/dbraw/zinc/09/49/73/363094973.db2.gz DRQFOZBZAWSEBW-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(OC)CCC2)c1C#N ZINC000541991710 290945476 /nfs/dbraw/zinc/94/54/76/290945476.db2.gz NVHJXGMXICWKFF-UHFFFAOYSA-N 1 2 291.355 0.363 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000233493294 352151158 /nfs/dbraw/zinc/15/11/58/352151158.db2.gz AJKBGHWFQSXRRF-UHFFFAOYSA-N 1 2 280.353 0.279 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1(C)C ZINC000234345404 352158362 /nfs/dbraw/zinc/15/83/62/352158362.db2.gz GIPLBFAPJRUTQJ-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1(C)C ZINC000234345404 352158367 /nfs/dbraw/zinc/15/83/67/352158367.db2.gz GIPLBFAPJRUTQJ-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO Cc1cc(NCc2nc(N(C)C)n[nH]2)c(C#N)c[nH+]1 ZINC000603415059 363119548 /nfs/dbraw/zinc/11/95/48/363119548.db2.gz DAPYQZZZZSWEAE-UHFFFAOYSA-N 1 2 257.301 0.480 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@H](C)C#N ZINC000249913735 352502977 /nfs/dbraw/zinc/50/29/77/352502977.db2.gz WXEDKFNAWUHCCL-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@H](C)C#N ZINC000249913735 352502981 /nfs/dbraw/zinc/50/29/81/352502981.db2.gz WXEDKFNAWUHCCL-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000265084121 352617812 /nfs/dbraw/zinc/61/78/12/352617812.db2.gz RFFFLLFTLJDCOB-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccnnc2C)CC1 ZINC000269893255 352883521 /nfs/dbraw/zinc/88/35/21/352883521.db2.gz FEPFTVYXUADQEV-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292325958 198245139 /nfs/dbraw/zinc/24/51/39/198245139.db2.gz WBGNVSJSYMPRQM-JQWIXIFHSA-N 1 2 299.338 0.691 20 30 CCEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292325958 198245140 /nfs/dbraw/zinc/24/51/40/198245140.db2.gz WBGNVSJSYMPRQM-JQWIXIFHSA-N 1 2 299.338 0.691 20 30 CCEDLO CC(C)(O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277207345 353229530 /nfs/dbraw/zinc/22/95/30/353229530.db2.gz VDRDKHHDIQWJLM-UHFFFAOYSA-N 1 2 287.363 0.973 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155087364 188180844 /nfs/dbraw/zinc/18/08/44/188180844.db2.gz KNDXKXHYJUNEKV-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155087364 188180845 /nfs/dbraw/zinc/18/08/45/188180845.db2.gz KNDXKXHYJUNEKV-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO CC#CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000155818923 188229906 /nfs/dbraw/zinc/22/99/06/188229906.db2.gz REXMVDHESANROT-UHFFFAOYSA-N 1 2 297.380 0.535 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCCC2=O)n1 ZINC000279779456 353315163 /nfs/dbraw/zinc/31/51/63/353315163.db2.gz UFJZACTZIIPFJV-UHFFFAOYSA-N 1 2 274.368 0.961 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCCC2=O)n1 ZINC000279779456 353315166 /nfs/dbraw/zinc/31/51/66/353315166.db2.gz UFJZACTZIIPFJV-UHFFFAOYSA-N 1 2 274.368 0.961 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NCCn1cnc(C#N)n1 ZINC000287047469 353624549 /nfs/dbraw/zinc/62/45/49/353624549.db2.gz JYWRVIJSIVANJF-UHFFFAOYSA-N 1 2 271.284 0.675 20 30 CCEDLO Cc1cc(C#N)nc(N(C)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000287840800 353670878 /nfs/dbraw/zinc/67/08/78/353670878.db2.gz RLWABMVTXRFLMO-GFCCVEGCSA-N 1 2 275.356 0.814 20 30 CCEDLO C[C@H](O)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000291293146 353777599 /nfs/dbraw/zinc/77/75/99/353777599.db2.gz RJWLCQIEPPJBIY-JTQLQIEISA-N 1 2 283.353 0.040 20 30 CCEDLO C[C@H](O)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000291293146 353777601 /nfs/dbraw/zinc/77/76/01/353777601.db2.gz RJWLCQIEPPJBIY-JTQLQIEISA-N 1 2 283.353 0.040 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnc(OC)n2)C1=O ZINC000296658397 353954787 /nfs/dbraw/zinc/95/47/87/353954787.db2.gz DYCNSZCJWQYHRS-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnc(OC)n2)C1=O ZINC000296658397 353954791 /nfs/dbraw/zinc/95/47/91/353954791.db2.gz DYCNSZCJWQYHRS-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329544617 354258354 /nfs/dbraw/zinc/25/83/54/354258354.db2.gz GEOYHTUBSLRYFR-KXNHARMFSA-N 1 2 296.371 0.280 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329544617 354258355 /nfs/dbraw/zinc/25/83/55/354258355.db2.gz GEOYHTUBSLRYFR-KXNHARMFSA-N 1 2 296.371 0.280 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329725414 354259647 /nfs/dbraw/zinc/25/96/47/354259647.db2.gz GGNJEYFXXFXFSS-SECBINFHSA-N 1 2 264.329 0.902 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329725414 354259648 /nfs/dbraw/zinc/25/96/48/354259648.db2.gz GGNJEYFXXFXFSS-SECBINFHSA-N 1 2 264.329 0.902 20 30 CCEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC(O)C1 ZINC000329731234 354259948 /nfs/dbraw/zinc/25/99/48/354259948.db2.gz ICSIVRUHEXYPPV-IDKOKCKLSA-N 1 2 264.329 0.636 20 30 CCEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC(O)C1 ZINC000329731234 354259950 /nfs/dbraw/zinc/25/99/50/354259950.db2.gz ICSIVRUHEXYPPV-IDKOKCKLSA-N 1 2 264.329 0.636 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000330168355 354303084 /nfs/dbraw/zinc/30/30/84/354303084.db2.gz ZYUAQBIDCGPLFC-QWRGUYRKSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000330168355 354303087 /nfs/dbraw/zinc/30/30/87/354303087.db2.gz ZYUAQBIDCGPLFC-QWRGUYRKSA-N 1 2 277.328 0.345 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccn3)C[C@H]21 ZINC000329583033 283013391 /nfs/dbraw/zinc/01/33/91/283013391.db2.gz VPACGYHLADXPEU-GHMZBOCLSA-N 1 2 262.313 0.642 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccn3)C[C@H]21 ZINC000329583033 283013392 /nfs/dbraw/zinc/01/33/92/283013392.db2.gz VPACGYHLADXPEU-GHMZBOCLSA-N 1 2 262.313 0.642 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331230324 354499335 /nfs/dbraw/zinc/49/93/35/354499335.db2.gz PXQXIPRJZRLRHG-JTQLQIEISA-N 1 2 277.324 0.598 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331230324 354499338 /nfs/dbraw/zinc/49/93/38/354499338.db2.gz PXQXIPRJZRLRHG-JTQLQIEISA-N 1 2 277.324 0.598 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(F)c1 ZINC000333880597 354810144 /nfs/dbraw/zinc/81/01/44/354810144.db2.gz WGRPDRKFQRNRRF-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(F)c1 ZINC000333880597 354810147 /nfs/dbraw/zinc/81/01/47/354810147.db2.gz WGRPDRKFQRNRRF-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000608122833 363407524 /nfs/dbraw/zinc/40/75/24/363407524.db2.gz KMVSZZSDIZVKLE-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000608122833 363407529 /nfs/dbraw/zinc/40/75/29/363407529.db2.gz KMVSZZSDIZVKLE-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000336835271 355207931 /nfs/dbraw/zinc/20/79/31/355207931.db2.gz JJYMVQIORQUEGH-JTQLQIEISA-N 1 2 291.336 0.517 20 30 CCEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000338356614 355330180 /nfs/dbraw/zinc/33/01/80/355330180.db2.gz MCIYJMWMYYMXPY-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338628211 355384614 /nfs/dbraw/zinc/38/46/14/355384614.db2.gz YLORWEFGVDYTQM-PWSUYJOCSA-N 1 2 257.309 0.153 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628211 355384615 /nfs/dbraw/zinc/38/46/15/355384615.db2.gz YLORWEFGVDYTQM-PWSUYJOCSA-N 1 2 257.309 0.153 20 30 CCEDLO C[C@@H](C(=O)NCCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000340600519 355584773 /nfs/dbraw/zinc/58/47/73/355584773.db2.gz ZLEQDPDSNITEGQ-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO N#CCCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343372516 355769184 /nfs/dbraw/zinc/76/91/84/355769184.db2.gz YDXXMJUAEOJOJF-LBPRGKRZSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343372516 355769186 /nfs/dbraw/zinc/76/91/86/355769186.db2.gz YDXXMJUAEOJOJF-LBPRGKRZSA-N 1 2 251.330 0.660 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347182714 355876115 /nfs/dbraw/zinc/87/61/15/355876115.db2.gz AGNGLJMKESATFY-QWRGUYRKSA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(C)(C)C#N ZINC000347182714 355876118 /nfs/dbraw/zinc/87/61/18/355876118.db2.gz AGNGLJMKESATFY-QWRGUYRKSA-N 1 2 254.330 0.925 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000346614254 355872048 /nfs/dbraw/zinc/87/20/48/355872048.db2.gz NGBWYVWFXBYGCH-DTWKUNHWSA-N 1 2 293.289 0.792 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000346614254 355872053 /nfs/dbraw/zinc/87/20/53/355872053.db2.gz NGBWYVWFXBYGCH-DTWKUNHWSA-N 1 2 293.289 0.792 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1CCO ZINC000428166188 235399188 /nfs/dbraw/zinc/39/91/88/235399188.db2.gz MZTGRVMCNPYFLT-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1CCO ZINC000428166188 235399189 /nfs/dbraw/zinc/39/91/89/235399189.db2.gz MZTGRVMCNPYFLT-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000352728044 356064672 /nfs/dbraw/zinc/06/46/72/356064672.db2.gz UDYFVNBTSKSXQY-UHFFFAOYSA-N 1 2 288.332 0.959 20 30 CCEDLO C[C@H]1CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C[C@H](C)O1 ZINC000352457472 356013319 /nfs/dbraw/zinc/01/33/19/356013319.db2.gz DKEKESQNSBJQCR-RYUDHWBXSA-N 1 2 283.347 0.950 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCc1[nH+]ccn1C ZINC000559553716 291084765 /nfs/dbraw/zinc/08/47/65/291084765.db2.gz XYBXCQOSXPEDPO-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C[C@H](Nc1cc(C#N)ncn1)[C@H](C)[NH+]1CCOCC1 ZINC000559513348 291084380 /nfs/dbraw/zinc/08/43/80/291084380.db2.gz HMLIJNWWYBAIQO-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000361288276 138027337 /nfs/dbraw/zinc/02/73/37/138027337.db2.gz MVUNKIDLXUDAEG-CVEARBPZSA-N 1 2 287.363 0.436 20 30 CCEDLO N#Cc1c(F)cccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000362294156 138054062 /nfs/dbraw/zinc/05/40/62/138054062.db2.gz DCIVWXBKSSNZBG-UHFFFAOYSA-N 1 2 276.315 0.300 20 30 CCEDLO Cc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)ccc1C#N ZINC000362935346 138081145 /nfs/dbraw/zinc/08/11/45/138081145.db2.gz OQUFWQYACLWCBE-UHFFFAOYSA-N 1 2 293.392 0.944 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000609485968 363498483 /nfs/dbraw/zinc/49/84/83/363498483.db2.gz AWLSVKZAJJUIHN-GXTWGEPZSA-N 1 2 278.400 0.819 20 30 CCEDLO N#C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000610130590 363537725 /nfs/dbraw/zinc/53/77/25/363537725.db2.gz XAEVAZGGYNPYIV-SNVBAGLBSA-N 1 2 256.269 0.391 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCN1CCOCC1 ZINC000610391755 363554706 /nfs/dbraw/zinc/55/47/06/363554706.db2.gz NMNJGOPECPTCOX-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO COCC[N@H+](CCC#N)CCCN1CCOCC1 ZINC000610391755 363554708 /nfs/dbraw/zinc/55/47/08/363554708.db2.gz NMNJGOPECPTCOX-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO C=C[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)C(=O)OC ZINC000619701343 366325726 /nfs/dbraw/zinc/32/57/26/366325726.db2.gz GICHCSDAAZPTOC-GFCCVEGCSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)C(=O)OC ZINC000619703237 366327335 /nfs/dbraw/zinc/32/73/35/366327335.db2.gz YGDKMAHJRWGZCG-NWDGAFQWSA-N 1 2 257.330 0.747 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000619715994 366333064 /nfs/dbraw/zinc/33/30/64/366333064.db2.gz GZFZRYDAMCMQSF-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000619722540 366341755 /nfs/dbraw/zinc/34/17/55/366341755.db2.gz OGQUDLUFTJVONF-RWMBFGLXSA-N 1 2 279.340 0.155 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000619722540 366341764 /nfs/dbraw/zinc/34/17/64/366341764.db2.gz OGQUDLUFTJVONF-RWMBFGLXSA-N 1 2 279.340 0.155 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000619716540 366334119 /nfs/dbraw/zinc/33/41/19/366334119.db2.gz SWHWNJWFPFIWRV-NSHDSACASA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000619717889 366335835 /nfs/dbraw/zinc/33/58/35/366335835.db2.gz WBOCDYQXJHIKES-LBPRGKRZSA-N 1 2 278.356 0.265 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000619717752 366336435 /nfs/dbraw/zinc/33/64/35/366336435.db2.gz HSUWMFJHXWXJRF-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000619717752 366336445 /nfs/dbraw/zinc/33/64/45/366336445.db2.gz HSUWMFJHXWXJRF-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000619722511 366343082 /nfs/dbraw/zinc/34/30/82/366343082.db2.gz FECRVCFMVPTUNT-NSHDSACASA-N 1 2 266.341 0.658 20 30 CCEDLO CCN1CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000619856065 366363109 /nfs/dbraw/zinc/36/31/09/366363109.db2.gz KRXAALULQVGOLU-CHWSQXEVSA-N 1 2 286.335 0.295 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000573991561 334983469 /nfs/dbraw/zinc/98/34/69/334983469.db2.gz SUVRPHKCTWVBEH-AGIUHOORSA-N 1 2 280.372 0.651 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[nH]1 ZINC000610563141 363577634 /nfs/dbraw/zinc/57/76/34/363577634.db2.gz TYPQNHNFDBYLJR-GFCCVEGCSA-N 1 2 299.338 0.779 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372734194 357379950 /nfs/dbraw/zinc/37/99/50/357379950.db2.gz CCAIQUKLKMUOOV-QWRGUYRKSA-N 1 2 276.365 0.913 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1C#N ZINC000377253004 357558127 /nfs/dbraw/zinc/55/81/27/357558127.db2.gz XOFMAZWJCLIDIL-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)n1C ZINC000448708363 236001627 /nfs/dbraw/zinc/00/16/27/236001627.db2.gz KMAJKOUTSLJDBD-JTQLQIEISA-N 1 2 257.297 0.912 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](C#N)CCC#N ZINC000610604382 363585053 /nfs/dbraw/zinc/58/50/53/363585053.db2.gz PCOYOJKQTLCDMW-LBPRGKRZSA-N 1 2 284.385 0.397 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](C#N)CCC#N ZINC000610604382 363585057 /nfs/dbraw/zinc/58/50/57/363585057.db2.gz PCOYOJKQTLCDMW-LBPRGKRZSA-N 1 2 284.385 0.397 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000448906194 236007132 /nfs/dbraw/zinc/00/71/32/236007132.db2.gz FIZFCHMIELUDTG-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000448906194 236007135 /nfs/dbraw/zinc/00/71/35/236007135.db2.gz FIZFCHMIELUDTG-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2ccc(C#N)nn2)C1 ZINC000400898595 357795404 /nfs/dbraw/zinc/79/54/04/357795404.db2.gz LWRBOTPTAKHCMF-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2ccc(C#N)nn2)C1 ZINC000400898595 357795407 /nfs/dbraw/zinc/79/54/07/357795407.db2.gz LWRBOTPTAKHCMF-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2nccnc2C#N)C1 ZINC000400747220 357795418 /nfs/dbraw/zinc/79/54/18/357795418.db2.gz BDPKLIFYFHYOEG-VIFPVBQESA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2nccnc2C#N)C1 ZINC000400747220 357795422 /nfs/dbraw/zinc/79/54/22/357795422.db2.gz BDPKLIFYFHYOEG-VIFPVBQESA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2cc(C#N)ncn2)C1 ZINC000400762854 357795626 /nfs/dbraw/zinc/79/56/26/357795626.db2.gz JCJHSZOWWPTDRB-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2cc(C#N)ncn2)C1 ZINC000400762854 357795629 /nfs/dbraw/zinc/79/56/29/357795629.db2.gz JCJHSZOWWPTDRB-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C ZINC000408116281 357925149 /nfs/dbraw/zinc/92/51/49/357925149.db2.gz VLJVKYKSKZONHX-ZJUUUORDSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000408116281 357925150 /nfs/dbraw/zinc/92/51/50/357925150.db2.gz VLJVKYKSKZONHX-ZJUUUORDSA-N 1 2 283.353 0.864 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000450014516 358254228 /nfs/dbraw/zinc/25/42/28/358254228.db2.gz BTUWDFXXYHNQNL-XUJVJEKNSA-N 1 2 293.367 0.632 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000578416985 359048947 /nfs/dbraw/zinc/04/89/47/359048947.db2.gz KDCNKSGFKFJWAE-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000578416985 359048953 /nfs/dbraw/zinc/04/89/53/359048953.db2.gz KDCNKSGFKFJWAE-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO CNC(=O)c1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000573808698 359001372 /nfs/dbraw/zinc/00/13/72/359001372.db2.gz RGTZMWGFGQLSLC-GFCCVEGCSA-N 1 2 291.351 0.631 20 30 CCEDLO CNC(=O)c1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000573808698 359001373 /nfs/dbraw/zinc/00/13/73/359001373.db2.gz RGTZMWGFGQLSLC-GFCCVEGCSA-N 1 2 291.351 0.631 20 30 CCEDLO Cc1nn(C)c(C)c1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584695634 359191703 /nfs/dbraw/zinc/19/17/03/359191703.db2.gz RNGPSKLGUQKJPF-AWEZNQCLSA-N 1 2 293.371 0.376 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(N)=O)s1 ZINC000584843904 359217142 /nfs/dbraw/zinc/21/71/42/359217142.db2.gz VLTUGCMDMQBWBU-LBPRGKRZSA-N 1 2 280.353 0.421 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)n1 ZINC000589312918 359378033 /nfs/dbraw/zinc/37/80/33/359378033.db2.gz XMWICVYQVUIIEA-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588622249 359325797 /nfs/dbraw/zinc/32/57/97/359325797.db2.gz JVKWYVQZUHNHTQ-UHFFFAOYSA-N 1 2 294.399 0.869 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000588765797 359336342 /nfs/dbraw/zinc/33/63/42/359336342.db2.gz IVHOSRKEJVIXRS-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000611038809 363652519 /nfs/dbraw/zinc/65/25/19/363652519.db2.gz STHFVEXUJAJKQF-LBPRGKRZSA-N 1 2 274.324 0.433 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000588963612 359352539 /nfs/dbraw/zinc/35/25/39/359352539.db2.gz CIGGVSZTKYYNFM-ZDUSSCGKSA-N 1 2 279.388 0.177 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C#N)CC3)C2)CC1 ZINC000590227253 359431309 /nfs/dbraw/zinc/43/13/09/359431309.db2.gz TYFKZSGUMBRFGF-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccnc1C#N ZINC000589584273 359391484 /nfs/dbraw/zinc/39/14/84/359391484.db2.gz OIFPZZPYKMJSBK-GFCCVEGCSA-N 1 2 276.340 0.083 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000589629997 359393287 /nfs/dbraw/zinc/39/32/87/359393287.db2.gz QWKSOZJHAAQQRD-RNCFNFMXSA-N 1 2 277.303 0.914 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000589629997 359393289 /nfs/dbraw/zinc/39/32/89/359393289.db2.gz QWKSOZJHAAQQRD-RNCFNFMXSA-N 1 2 277.303 0.914 20 30 CCEDLO Cc1nc(N)c(CNC(=O)CNc2ccc(C#N)cc2)c[nH+]1 ZINC000590363417 359444371 /nfs/dbraw/zinc/44/43/71/359444371.db2.gz QXYFQEPEGBZCGV-UHFFFAOYSA-N 1 2 296.334 0.798 20 30 CCEDLO CC[C@H](C(=O)N1CC(C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000590485333 359474170 /nfs/dbraw/zinc/47/41/70/359474170.db2.gz ZAGJHONDFMHROY-QWHCGFSZSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@H](C(=O)N1CC(C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000590485333 359474175 /nfs/dbraw/zinc/47/41/75/359474175.db2.gz ZAGJHONDFMHROY-QWHCGFSZSA-N 1 2 265.357 0.858 20 30 CCEDLO COc1nccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC000590709495 359510702 /nfs/dbraw/zinc/51/07/02/359510702.db2.gz XYOGJOVIYNIQGY-UHFFFAOYSA-N 1 2 261.329 0.516 20 30 CCEDLO CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000590587950 359490925 /nfs/dbraw/zinc/49/09/25/359490925.db2.gz JVTOAPKFOPEEIS-UHFFFAOYSA-N 1 2 261.325 0.962 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000591048927 359549754 /nfs/dbraw/zinc/54/97/54/359549754.db2.gz NGYPVXIPHKEECD-HZSPNIEDSA-N 1 2 288.347 0.915 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000591048927 359549757 /nfs/dbraw/zinc/54/97/57/359549757.db2.gz NGYPVXIPHKEECD-HZSPNIEDSA-N 1 2 288.347 0.915 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296932273 200038672 /nfs/dbraw/zinc/03/86/72/200038672.db2.gz XCEDOJFTDHZTEA-SNVBAGLBSA-N 1 2 255.318 0.061 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296932273 200038674 /nfs/dbraw/zinc/03/86/74/200038674.db2.gz XCEDOJFTDHZTEA-SNVBAGLBSA-N 1 2 255.318 0.061 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000591974128 359716582 /nfs/dbraw/zinc/71/65/82/359716582.db2.gz IOYPQRUXHFEZSN-CQSZACIVSA-N 1 2 269.308 0.897 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000592145260 359764547 /nfs/dbraw/zinc/76/45/47/359764547.db2.gz QJPMYIYSIZYAFC-CYBMUJFWSA-N 1 2 279.365 0.715 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000592145260 359764548 /nfs/dbraw/zinc/76/45/48/359764548.db2.gz QJPMYIYSIZYAFC-CYBMUJFWSA-N 1 2 279.365 0.715 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149259 359769044 /nfs/dbraw/zinc/76/90/44/359769044.db2.gz LURJNMQXFURNQM-TZMCWYRMSA-N 1 2 277.299 0.703 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149259 359769046 /nfs/dbraw/zinc/76/90/46/359769046.db2.gz LURJNMQXFURNQM-TZMCWYRMSA-N 1 2 277.299 0.703 20 30 CCEDLO COCC1(O)C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000297585342 200234869 /nfs/dbraw/zinc/23/48/69/200234869.db2.gz SIHFQTSEJZVRRO-UHFFFAOYSA-N 1 2 262.309 0.760 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4cn[nH]c4C3)cnc12 ZINC000592499726 359860683 /nfs/dbraw/zinc/86/06/83/359860683.db2.gz CSRBCNPVWDZZET-UHFFFAOYSA-N 1 2 279.307 0.882 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCc4cn[nH]c4C3)cnc12 ZINC000592499726 359860686 /nfs/dbraw/zinc/86/06/86/359860686.db2.gz CSRBCNPVWDZZET-UHFFFAOYSA-N 1 2 279.307 0.882 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCSC1 ZINC000592947115 359992742 /nfs/dbraw/zinc/99/27/42/359992742.db2.gz QWAKEOFUTOIMOL-GWCFXTLKSA-N 1 2 276.365 0.961 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000593155730 360048590 /nfs/dbraw/zinc/04/85/90/360048590.db2.gz XPPAAKCBVYNEEQ-ABAIWWIYSA-N 1 2 294.399 0.593 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097503 360035443 /nfs/dbraw/zinc/03/54/43/360035443.db2.gz MOUMOWUBYCABCF-FAQIYOQMSA-N 1 2 283.397 0.200 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097503 360035451 /nfs/dbraw/zinc/03/54/51/360035451.db2.gz MOUMOWUBYCABCF-FAQIYOQMSA-N 1 2 283.397 0.200 20 30 CCEDLO CCN1C[C@H](CNc2cc(C)[nH+]cc2C#N)CC1=O ZINC000593498953 360099241 /nfs/dbraw/zinc/09/92/41/360099241.db2.gz VLPKOBVEMDNENA-NSHDSACASA-N 1 2 258.325 0.964 20 30 CCEDLO N#Cc1cnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593507150 360102450 /nfs/dbraw/zinc/10/24/50/360102450.db2.gz CXCSPPZLDPGIQU-LLVKDONJSA-N 1 2 278.743 0.862 20 30 CCEDLO N#Cc1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593507150 360102453 /nfs/dbraw/zinc/10/24/53/360102453.db2.gz CXCSPPZLDPGIQU-LLVKDONJSA-N 1 2 278.743 0.862 20 30 CCEDLO CC[C@H](C#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000593444085 360090123 /nfs/dbraw/zinc/09/01/23/360090123.db2.gz VHKXYPHGZHWNID-CYBMUJFWSA-N 1 2 278.356 0.611 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C#N)cn3)CCN2C1=O ZINC000593961016 360222697 /nfs/dbraw/zinc/22/26/97/360222697.db2.gz NEMPPTWJPCIOME-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)CCN2C1=O ZINC000593961016 360222699 /nfs/dbraw/zinc/22/26/99/360222699.db2.gz NEMPPTWJPCIOME-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO N#CCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000593997551 360231500 /nfs/dbraw/zinc/23/15/00/360231500.db2.gz LUZBEVARLQRZOW-GFCCVEGCSA-N 1 2 250.346 0.186 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000594009492 360234956 /nfs/dbraw/zinc/23/49/56/360234956.db2.gz WEVULCLOLQIGIL-STQMWFEESA-N 1 2 294.399 0.785 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)CCCCC#N ZINC000594273352 360266880 /nfs/dbraw/zinc/26/68/80/360266880.db2.gz SZURYCDLSWTKAF-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO N#Cc1nccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000594568690 360332009 /nfs/dbraw/zinc/33/20/09/360332009.db2.gz KVSMZZOCZQDQCU-LLVKDONJSA-N 1 2 266.308 0.856 20 30 CCEDLO Cn1cnnc1N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000594612460 360340186 /nfs/dbraw/zinc/34/01/86/360340186.db2.gz LNCAMHYLNYETRV-UHFFFAOYSA-N 1 2 272.312 0.602 20 30 CCEDLO CNc1cnn(C[C@H](O)C[N@H+](C)CCC#N)c(=O)c1Cl ZINC000594714622 360365359 /nfs/dbraw/zinc/36/53/59/360365359.db2.gz QWTHKHBEJHWWDH-SECBINFHSA-N 1 2 299.762 0.145 20 30 CCEDLO CNc1cnn(C[C@H](O)C[N@@H+](C)CCC#N)c(=O)c1Cl ZINC000594714622 360365361 /nfs/dbraw/zinc/36/53/61/360365361.db2.gz QWTHKHBEJHWWDH-SECBINFHSA-N 1 2 299.762 0.145 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177413326 189049276 /nfs/dbraw/zinc/04/92/76/189049276.db2.gz NJTIMCNUDWOPPP-CQSZACIVSA-N 1 2 295.770 0.932 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H](C#N)c1ccccc1 ZINC000595342687 360501514 /nfs/dbraw/zinc/50/15/14/360501514.db2.gz GCJOJBJYMHJICW-HZPDHXFCSA-N 1 2 289.379 0.876 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000595397805 360519286 /nfs/dbraw/zinc/51/92/86/360519286.db2.gz LZTXMCWVYMVVPB-KBPBESRZSA-N 1 2 278.400 0.773 20 30 CCEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000595632358 360602254 /nfs/dbraw/zinc/60/22/54/360602254.db2.gz WGAOOZUNYYXREY-LLVKDONJSA-N 1 2 276.365 0.630 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623657 360602370 /nfs/dbraw/zinc/60/23/70/360602370.db2.gz WIEPTYQUBQRPPG-SDDRHHMPSA-N 1 2 272.370 0.424 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623657 360602372 /nfs/dbraw/zinc/60/23/72/360602372.db2.gz WIEPTYQUBQRPPG-SDDRHHMPSA-N 1 2 272.370 0.424 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595832111 360670840 /nfs/dbraw/zinc/67/08/40/360670840.db2.gz IOCFJDCCSXPBRF-UHFFFAOYSA-N 1 2 292.339 0.866 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833048 360670877 /nfs/dbraw/zinc/67/08/77/360670877.db2.gz FEVOYZIOSWRCMU-WFASDCNBSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833048 360670882 /nfs/dbraw/zinc/67/08/82/360670882.db2.gz FEVOYZIOSWRCMU-WFASDCNBSA-N 1 2 292.383 0.301 20 30 CCEDLO N#CCC[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1 ZINC000596071465 360787067 /nfs/dbraw/zinc/78/70/67/360787067.db2.gz ZORNWDQTNINVKS-UHFFFAOYSA-N 1 2 257.290 0.476 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596288441 360869484 /nfs/dbraw/zinc/86/94/84/360869484.db2.gz BAIIBKABINICPX-LBPRGKRZSA-N 1 2 262.309 0.983 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709618 361205254 /nfs/dbraw/zinc/20/52/54/361205254.db2.gz JXDQTKHNLDQRFZ-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H](C(=O)N[C@@H](C#N)CO)[N@@H+]1CCc2ccccc2C1 ZINC000597747707 361231466 /nfs/dbraw/zinc/23/14/66/361231466.db2.gz RODDYXKPOOFVTP-RISCZKNCSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@H](C(=O)N[C@@H](C#N)CO)[N@H+]1CCc2ccccc2C1 ZINC000597747707 361231471 /nfs/dbraw/zinc/23/14/71/361231471.db2.gz RODDYXKPOOFVTP-RISCZKNCSA-N 1 2 273.336 0.434 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000597748246 361232554 /nfs/dbraw/zinc/23/25/54/361232554.db2.gz XYMSEJZANGIYAT-STQMWFEESA-N 1 2 274.324 0.047 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000597748246 361232555 /nfs/dbraw/zinc/23/25/55/361232555.db2.gz XYMSEJZANGIYAT-STQMWFEESA-N 1 2 274.324 0.047 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598407016 361406404 /nfs/dbraw/zinc/40/64/04/361406404.db2.gz CWQASXNUMVKLPR-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598407016 361406408 /nfs/dbraw/zinc/40/64/08/361406408.db2.gz CWQASXNUMVKLPR-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617445 361459496 /nfs/dbraw/zinc/45/94/96/361459496.db2.gz RNLRWUQVCVJEGU-GHMZBOCLSA-N 1 2 293.371 0.990 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617445 361459501 /nfs/dbraw/zinc/45/95/01/361459501.db2.gz RNLRWUQVCVJEGU-GHMZBOCLSA-N 1 2 293.371 0.990 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622060 361463518 /nfs/dbraw/zinc/46/35/18/361463518.db2.gz YBTFGLSVEKNAAA-MNOVXSKESA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622060 361463522 /nfs/dbraw/zinc/46/35/22/361463522.db2.gz YBTFGLSVEKNAAA-MNOVXSKESA-N 1 2 253.346 0.450 20 30 CCEDLO N#Cc1ccccc1OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944146 361536438 /nfs/dbraw/zinc/53/64/38/361536438.db2.gz XRBMHAKVDJNBIR-GFCCVEGCSA-N 1 2 282.303 0.875 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598951165 361540216 /nfs/dbraw/zinc/54/02/16/361540216.db2.gz XWCIMHXNTGJCHO-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599161603 361592534 /nfs/dbraw/zinc/59/25/34/361592534.db2.gz UGICJADRICTOSB-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599161603 361592537 /nfs/dbraw/zinc/59/25/37/361592537.db2.gz UGICJADRICTOSB-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599298483 361641143 /nfs/dbraw/zinc/64/11/43/361641143.db2.gz YGXLKNJBSVJMFL-CHWSQXEVSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599298483 361641144 /nfs/dbraw/zinc/64/11/44/361641144.db2.gz YGXLKNJBSVJMFL-CHWSQXEVSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599377118 361673132 /nfs/dbraw/zinc/67/31/32/361673132.db2.gz HLYINZMOAHQXSU-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599377118 361673138 /nfs/dbraw/zinc/67/31/38/361673138.db2.gz HLYINZMOAHQXSU-STQMWFEESA-N 1 2 295.383 0.220 20 30 CCEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000614183389 364523845 /nfs/dbraw/zinc/52/38/45/364523845.db2.gz RBHKFEGRXKPITB-CYBMUJFWSA-N 1 2 289.335 0.015 20 30 CCEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000614183389 364523849 /nfs/dbraw/zinc/52/38/49/364523849.db2.gz RBHKFEGRXKPITB-CYBMUJFWSA-N 1 2 289.335 0.015 20 30 CCEDLO CC(C)(CNC(=O)N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC000615528608 364993409 /nfs/dbraw/zinc/99/34/09/364993409.db2.gz FAYDVKCNLMCDLA-CQSZACIVSA-N 1 2 298.362 0.744 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000615635314 365029201 /nfs/dbraw/zinc/02/92/01/365029201.db2.gz PMJURKMPJTZPPR-XQQFMLRXSA-N 1 2 251.326 0.910 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000615635314 365029202 /nfs/dbraw/zinc/02/92/02/365029202.db2.gz PMJURKMPJTZPPR-XQQFMLRXSA-N 1 2 251.326 0.910 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccco2)CC1 ZINC000275475879 193053062 /nfs/dbraw/zinc/05/30/62/193053062.db2.gz MRCROUPYUKMNRN-UHFFFAOYSA-N 1 2 268.338 0.609 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329608349 297320380 /nfs/dbraw/zinc/32/03/80/297320380.db2.gz NCPOQIXQHIXLPT-FVCCEPFGSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329608349 297320383 /nfs/dbraw/zinc/32/03/83/297320383.db2.gz NCPOQIXQHIXLPT-FVCCEPFGSA-N 1 2 283.372 0.483 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623809713 367666033 /nfs/dbraw/zinc/66/60/33/367666033.db2.gz PNPBCXNCAIKHLZ-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623809713 367666040 /nfs/dbraw/zinc/66/60/40/367666040.db2.gz PNPBCXNCAIKHLZ-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624164040 367769749 /nfs/dbraw/zinc/76/97/49/367769749.db2.gz UYMQDAJUWMXOIX-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624164040 367769755 /nfs/dbraw/zinc/76/97/55/367769755.db2.gz UYMQDAJUWMXOIX-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=CCCCC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097963 368440373 /nfs/dbraw/zinc/44/03/73/368440373.db2.gz FJNJXCOFMVMTHR-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCCC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097963 368440379 /nfs/dbraw/zinc/44/03/79/368440379.db2.gz FJNJXCOFMVMTHR-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626171477 368472195 /nfs/dbraw/zinc/47/21/95/368472195.db2.gz CFHCPPXQWINOJD-DGCLKSJQSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626171477 368472201 /nfs/dbraw/zinc/47/22/01/368472201.db2.gz CFHCPPXQWINOJD-DGCLKSJQSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)OCC ZINC000628917818 369457653 /nfs/dbraw/zinc/45/76/53/369457653.db2.gz MGBUFJXYJMZFKI-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)OCC ZINC000628917818 369457654 /nfs/dbraw/zinc/45/76/54/369457654.db2.gz MGBUFJXYJMZFKI-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)OCC ZINC000628917819 369457679 /nfs/dbraw/zinc/45/76/79/369457679.db2.gz MGBUFJXYJMZFKI-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)OCC ZINC000628917819 369457685 /nfs/dbraw/zinc/45/76/85/369457685.db2.gz MGBUFJXYJMZFKI-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO Cc1cc(NC[C@@H](C)S(C)(=O)=O)c(C#N)c[nH+]1 ZINC000567494881 291487859 /nfs/dbraw/zinc/48/78/59/291487859.db2.gz FZKADWVBMCKLDS-SECBINFHSA-N 1 2 253.327 0.529 20 30 CCEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633107386 371400476 /nfs/dbraw/zinc/40/04/76/371400476.db2.gz PYSRRZJAENFYHW-CYBMUJFWSA-N 1 2 289.383 0.921 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635776165 372893822 /nfs/dbraw/zinc/89/38/22/372893822.db2.gz LTEOITLVTMGAKZ-LBPRGKRZSA-N 1 2 278.356 0.889 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCc2cncc(C)n2)nn1 ZINC000656469389 412808462 /nfs/dbraw/zinc/80/84/62/412808462.db2.gz LZBSTVAUEJIVPD-UHFFFAOYSA-N 1 2 270.340 0.732 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(C[NH+]2CCSCC2)nn1 ZINC000641084550 376757217 /nfs/dbraw/zinc/75/72/17/376757217.db2.gz NHGZAWGCDYATDV-LBPRGKRZSA-N 1 2 268.386 0.936 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cnc(OC)nc2C)nn1 ZINC000641172996 376843607 /nfs/dbraw/zinc/84/36/07/376843607.db2.gz GQFNJFHYQJSQRS-UHFFFAOYSA-N 1 2 286.339 0.546 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)ns2)nn1 ZINC000641178153 376848563 /nfs/dbraw/zinc/84/85/63/376848563.db2.gz SDGZJMAWLJFBQD-UHFFFAOYSA-N 1 2 277.353 0.904 20 30 CCEDLO C=CCN([C@@H](C)COC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641621846 377326790 /nfs/dbraw/zinc/32/67/90/377326790.db2.gz ICGGOCVJGFDRBP-LBPRGKRZSA-N 1 2 287.385 0.736 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000657088860 412885658 /nfs/dbraw/zinc/88/56/58/412885658.db2.gz GPYFGBBMEAKMRA-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000657088860 412885660 /nfs/dbraw/zinc/88/56/60/412885660.db2.gz GPYFGBBMEAKMRA-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)nn1 ZINC000657457339 412996917 /nfs/dbraw/zinc/99/69/17/412996917.db2.gz UPWJRBRIOIXYIG-UHFFFAOYSA-N 1 2 298.412 0.911 20 30 CCEDLO C[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000352826568 533149870 /nfs/dbraw/zinc/14/98/70/533149870.db2.gz KEQWSCAMEQYUME-VXGBXAGGSA-N 1 2 282.388 0.945 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000332486197 260012895 /nfs/dbraw/zinc/01/28/95/260012895.db2.gz PPFBUIFXUIMDCY-SNVBAGLBSA-N 1 2 254.334 0.845 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000332486197 260012897 /nfs/dbraw/zinc/01/28/97/260012897.db2.gz PPFBUIFXUIMDCY-SNVBAGLBSA-N 1 2 254.334 0.845 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccon1 ZINC000183489858 388756772 /nfs/dbraw/zinc/75/67/72/388756772.db2.gz RULVBGFKINYJFQ-UHFFFAOYSA-N 1 2 293.327 0.754 20 30 CCEDLO C=CCSCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286514882 388841738 /nfs/dbraw/zinc/84/17/38/388841738.db2.gz ONHIWPLYXFSFFV-UHFFFAOYSA-N 1 2 282.369 0.072 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000288463449 388861572 /nfs/dbraw/zinc/86/15/72/388861572.db2.gz OXXNFZQPULNEPE-UHFFFAOYSA-N 1 2 274.364 0.630 20 30 CCEDLO C#CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043480829 388869068 /nfs/dbraw/zinc/86/90/68/388869068.db2.gz UGZNJHHXXOVTNN-UHFFFAOYSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC000290043564 388899416 /nfs/dbraw/zinc/89/94/16/388899416.db2.gz GSKPXABPKLOREN-UHFFFAOYSA-N 1 2 274.324 0.057 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000048725668 388900753 /nfs/dbraw/zinc/90/07/53/388900753.db2.gz YDNLVQPBGCQPIO-UHFFFAOYSA-N 1 2 272.308 0.271 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C#N)CC1 ZINC000049092338 388915652 /nfs/dbraw/zinc/91/56/52/388915652.db2.gz GQYFXXVOTCCMAY-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C#N)CC1 ZINC000049092338 388915654 /nfs/dbraw/zinc/91/56/54/388915654.db2.gz GQYFXXVOTCCMAY-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CC#CC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292859200 388963973 /nfs/dbraw/zinc/96/39/73/388963973.db2.gz WGSNGQKQLIKLMC-UHFFFAOYSA-N 1 2 252.339 0.789 20 30 CCEDLO CC#CC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292859200 388963976 /nfs/dbraw/zinc/96/39/76/388963976.db2.gz WGSNGQKQLIKLMC-UHFFFAOYSA-N 1 2 252.339 0.789 20 30 CCEDLO C=CC[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000068849664 388949544 /nfs/dbraw/zinc/94/95/44/388949544.db2.gz LFNHIVIOVLQUJQ-ZDUSSCGKSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CCN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000068849664 388949549 /nfs/dbraw/zinc/94/95/49/388949549.db2.gz LFNHIVIOVLQUJQ-ZDUSSCGKSA-N 1 2 267.373 0.037 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071015455 388956808 /nfs/dbraw/zinc/95/68/08/388956808.db2.gz DPNQCDGQXAOMJZ-VXGBXAGGSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071015455 388956810 /nfs/dbraw/zinc/95/68/10/388956810.db2.gz DPNQCDGQXAOMJZ-VXGBXAGGSA-N 1 2 257.355 0.288 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599028 388977412 /nfs/dbraw/zinc/97/74/12/388977412.db2.gz XPEXENXTWRPHDZ-ZDUSSCGKSA-N 1 2 251.374 0.823 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCCC(=O)OCC ZINC000076185379 388986203 /nfs/dbraw/zinc/98/62/03/388986203.db2.gz OWNMOLIGFIWKBQ-UHFFFAOYSA-N 1 2 264.325 0.014 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCOc1cccc(F)c1 ZINC000076185631 388986406 /nfs/dbraw/zinc/98/64/06/388986406.db2.gz DOLYUKHQPXLMBS-UHFFFAOYSA-N 1 2 288.322 0.889 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000192228571 389029283 /nfs/dbraw/zinc/02/92/83/389029283.db2.gz DPRXAWXBNPBDNY-UHFFFAOYSA-N 1 2 273.336 0.892 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000192228571 389029289 /nfs/dbraw/zinc/02/92/89/389029289.db2.gz DPRXAWXBNPBDNY-UHFFFAOYSA-N 1 2 273.336 0.892 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)CC)CC1 ZINC000191283801 389009239 /nfs/dbraw/zinc/00/92/39/389009239.db2.gz KNQKGCFMGIXHDM-AWEZNQCLSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CC)CC1 ZINC000191283801 389009243 /nfs/dbraw/zinc/00/92/43/389009243.db2.gz KNQKGCFMGIXHDM-AWEZNQCLSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000298240584 389012618 /nfs/dbraw/zinc/01/26/18/389012618.db2.gz SCFBMZGGEBLNJZ-LBPRGKRZSA-N 1 2 269.389 0.915 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)NCCC ZINC000298240584 389012622 /nfs/dbraw/zinc/01/26/22/389012622.db2.gz SCFBMZGGEBLNJZ-LBPRGKRZSA-N 1 2 269.389 0.915 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000354279192 389019642 /nfs/dbraw/zinc/01/96/42/389019642.db2.gz MUIHUWGEGQKICA-ZBFHGGJFSA-N 1 2 295.427 0.552 20 30 CCEDLO C=CCCC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000354398843 389023223 /nfs/dbraw/zinc/02/32/23/389023223.db2.gz ZYQLMYBBSNNHPW-UHFFFAOYSA-N 1 2 252.358 0.869 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000354523816 389026601 /nfs/dbraw/zinc/02/66/01/389026601.db2.gz ZERWBVFKCGDGFJ-GXFFZTMASA-N 1 2 278.312 0.550 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000354523816 389026604 /nfs/dbraw/zinc/02/66/04/389026604.db2.gz ZERWBVFKCGDGFJ-GXFFZTMASA-N 1 2 278.312 0.550 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000304959631 389084135 /nfs/dbraw/zinc/08/41/35/389084135.db2.gz LGLLFEZSRGWMCB-CYBMUJFWSA-N 1 2 259.309 0.218 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000304959631 389084137 /nfs/dbraw/zinc/08/41/37/389084137.db2.gz LGLLFEZSRGWMCB-CYBMUJFWSA-N 1 2 259.309 0.218 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000305225885 389085357 /nfs/dbraw/zinc/08/53/57/389085357.db2.gz YPHWQMVBJZSTFL-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000336941958 389034831 /nfs/dbraw/zinc/03/48/31/389034831.db2.gz KCIHRGWTXCRZJI-UHFFFAOYSA-N 1 2 299.400 0.685 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000337054856 389039663 /nfs/dbraw/zinc/03/96/63/389039663.db2.gz ASLFZFSKTAJUPD-LBPRGKRZSA-N 1 2 269.389 0.914 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000337054856 389039664 /nfs/dbraw/zinc/03/96/64/389039664.db2.gz ASLFZFSKTAJUPD-LBPRGKRZSA-N 1 2 269.389 0.914 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355118853 389042145 /nfs/dbraw/zinc/04/21/45/389042145.db2.gz BYEHNPVLRICZFP-YPMHNXCESA-N 1 2 275.356 0.966 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355118853 389042147 /nfs/dbraw/zinc/04/21/47/389042147.db2.gz BYEHNPVLRICZFP-YPMHNXCESA-N 1 2 275.356 0.966 20 30 CCEDLO C=CCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000121036534 389146664 /nfs/dbraw/zinc/14/66/64/389146664.db2.gz ARAVFCJXKYDZQX-CYBMUJFWSA-N 1 2 288.413 0.689 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(-c2ccccc2)no1 ZINC000121321401 389146789 /nfs/dbraw/zinc/14/67/89/389146789.db2.gz KBUNWKGGUFECPX-UHFFFAOYSA-N 1 2 262.269 0.908 20 30 CCEDLO CC(C)(C)C[N@@H+](CCC#N)CCNS(C)(=O)=O ZINC000109813173 389100285 /nfs/dbraw/zinc/10/02/85/389100285.db2.gz XEJYZZAMXMEMST-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CC(C)(C)C[N@H+](CCC#N)CCNS(C)(=O)=O ZINC000109813173 389100287 /nfs/dbraw/zinc/10/02/87/389100287.db2.gz XEJYZZAMXMEMST-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)CCO)cc1F ZINC000121326697 389147593 /nfs/dbraw/zinc/14/75/93/389147593.db2.gz YCTXXEOAFGAMHU-UHFFFAOYSA-N 1 2 283.303 0.422 20 30 CCEDLO C=CCCC1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000356308489 389122787 /nfs/dbraw/zinc/12/27/87/389122787.db2.gz FEPNTJNJJOUTTR-AWEZNQCLSA-N 1 2 296.411 0.884 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339159855 389126934 /nfs/dbraw/zinc/12/69/34/389126934.db2.gz TUUQLJJBAKHOGS-NSHDSACASA-N 1 2 274.386 0.045 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339159855 389126936 /nfs/dbraw/zinc/12/69/36/389126936.db2.gz TUUQLJJBAKHOGS-NSHDSACASA-N 1 2 274.386 0.045 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705620 389127290 /nfs/dbraw/zinc/12/72/90/389127290.db2.gz ODNMZWJIMIEXJU-OAHLLOKOSA-N 1 2 284.363 0.933 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](c3ccccn3)CC2=O)CC1 ZINC000113239363 389129283 /nfs/dbraw/zinc/12/92/83/389129283.db2.gz FTRBVNLHIONJFX-OAHLLOKOSA-N 1 2 298.390 0.606 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328729046 389134175 /nfs/dbraw/zinc/13/41/75/389134175.db2.gz FFLBIGFLWYLFHD-NXEZZACHSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328729046 389134178 /nfs/dbraw/zinc/13/41/78/389134178.db2.gz FFLBIGFLWYLFHD-NXEZZACHSA-N 1 2 293.327 0.046 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3=CCCOC3)C[C@H]21 ZINC000329702618 389190401 /nfs/dbraw/zinc/19/04/01/389190401.db2.gz IGASELBKQTWJFW-CHWSQXEVSA-N 1 2 281.356 0.262 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3=CCCOC3)C[C@H]21 ZINC000329702618 389190402 /nfs/dbraw/zinc/19/04/02/389190402.db2.gz IGASELBKQTWJFW-CHWSQXEVSA-N 1 2 281.356 0.262 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000360956940 389206153 /nfs/dbraw/zinc/20/61/53/389206153.db2.gz JHWRDWBFANGVLQ-CHWSQXEVSA-N 1 2 253.342 0.993 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000360956940 389206156 /nfs/dbraw/zinc/20/61/56/389206156.db2.gz JHWRDWBFANGVLQ-CHWSQXEVSA-N 1 2 253.342 0.993 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCN2C(=O)NC[C@H]2C1 ZINC000329799747 389202368 /nfs/dbraw/zinc/20/23/68/389202368.db2.gz HSTJTBSCPQZPLG-MNOVXSKESA-N 1 2 292.343 0.099 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000329799747 389202369 /nfs/dbraw/zinc/20/23/69/389202369.db2.gz HSTJTBSCPQZPLG-MNOVXSKESA-N 1 2 292.343 0.099 20 30 CCEDLO C[C@H](C(=O)N[C@]1(CO)CCOC1)[NH+]1CCSCC1 ZINC000329473101 389165554 /nfs/dbraw/zinc/16/55/54/389165554.db2.gz ZNXVNSRJBIHENS-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000329503891 389167289 /nfs/dbraw/zinc/16/72/89/389167289.db2.gz KZTHIGGCVGVQJS-KBPBESRZSA-N 1 2 299.415 0.980 20 30 CCEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000329503893 389167416 /nfs/dbraw/zinc/16/74/16/389167416.db2.gz KZTHIGGCVGVQJS-UONOGXRCSA-N 1 2 299.415 0.980 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329549859 389170104 /nfs/dbraw/zinc/17/01/04/389170104.db2.gz JBJSVXRFHRQUQL-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329549859 389170106 /nfs/dbraw/zinc/17/01/06/389170106.db2.gz JBJSVXRFHRQUQL-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000128404541 389177537 /nfs/dbraw/zinc/17/75/37/389177537.db2.gz YJDDFBABIJOBIB-VIFPVBQESA-N 1 2 276.296 0.837 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000329622629 389178252 /nfs/dbraw/zinc/17/82/52/389178252.db2.gz RUWDMKPCNOWIDO-UONOGXRCSA-N 1 2 290.367 0.553 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000329622629 389178255 /nfs/dbraw/zinc/17/82/55/389178255.db2.gz RUWDMKPCNOWIDO-UONOGXRCSA-N 1 2 290.367 0.553 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C)c1 ZINC000330624508 389247087 /nfs/dbraw/zinc/24/70/87/389247087.db2.gz RLJAASBZKLYYKZ-SNVBAGLBSA-N 1 2 252.318 0.445 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(C)c1 ZINC000330624508 389247091 /nfs/dbraw/zinc/24/70/91/389247091.db2.gz RLJAASBZKLYYKZ-SNVBAGLBSA-N 1 2 252.318 0.445 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000363490476 389249592 /nfs/dbraw/zinc/24/95/92/389249592.db2.gz OVVPYMPTPKAABV-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000363490476 389249595 /nfs/dbraw/zinc/24/95/95/389249595.db2.gz OVVPYMPTPKAABV-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCNC(=O)N(C)C)cn1 ZINC000330685860 389251839 /nfs/dbraw/zinc/25/18/39/389251839.db2.gz ADNBHNIHOUCSHJ-UHFFFAOYSA-N 1 2 251.334 0.692 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCNC(=O)N(C)C)cn1 ZINC000330685860 389251843 /nfs/dbraw/zinc/25/18/43/389251843.db2.gz ADNBHNIHOUCSHJ-UHFFFAOYSA-N 1 2 251.334 0.692 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000249751094 389258761 /nfs/dbraw/zinc/25/87/61/389258761.db2.gz QVXXMDADBZITEC-FZMZJTMJSA-N 1 2 278.356 0.005 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000249751094 389258764 /nfs/dbraw/zinc/25/87/64/389258764.db2.gz QVXXMDADBZITEC-FZMZJTMJSA-N 1 2 278.356 0.005 20 30 CCEDLO CC(C)CO[C@H](C)c1noc(CO[NH+]=C(N)CCO)n1 ZINC000136070748 389264504 /nfs/dbraw/zinc/26/45/04/389264504.db2.gz MCCAIKMQQDJTAK-SECBINFHSA-N 1 2 286.332 0.974 20 30 CCEDLO C=CCOC[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000361112513 389208558 /nfs/dbraw/zinc/20/85/58/389208558.db2.gz ZEEFUEQMYMHRII-LLVKDONJSA-N 1 2 253.302 0.254 20 30 CCEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1C=C[C@H](CO)C1 ZINC000329913363 389210630 /nfs/dbraw/zinc/21/06/30/389210630.db2.gz ORZXDPYVHSBTJG-RWMBFGLXSA-N 1 2 290.367 0.886 20 30 CCEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1C=C[C@H](CO)C1 ZINC000329913363 389210631 /nfs/dbraw/zinc/21/06/31/389210631.db2.gz ORZXDPYVHSBTJG-RWMBFGLXSA-N 1 2 290.367 0.886 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131408848 389213515 /nfs/dbraw/zinc/21/35/15/389213515.db2.gz NBFYQCCHKKYVGC-UHFFFAOYSA-N 1 2 268.361 0.334 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131408848 389213518 /nfs/dbraw/zinc/21/35/18/389213518.db2.gz NBFYQCCHKKYVGC-UHFFFAOYSA-N 1 2 268.361 0.334 20 30 CCEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1COCCO1 ZINC000329947355 389213667 /nfs/dbraw/zinc/21/36/67/389213667.db2.gz GXGXACVYLFYHOJ-LBPRGKRZSA-N 1 2 290.323 0.753 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@H](C)COC)CCO1 ZINC000330450956 389230994 /nfs/dbraw/zinc/23/09/94/389230994.db2.gz YCLPQZFZZMCHOS-GHMZBOCLSA-N 1 2 287.360 0.162 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)CCO1 ZINC000330450956 389230995 /nfs/dbraw/zinc/23/09/95/389230995.db2.gz YCLPQZFZZMCHOS-GHMZBOCLSA-N 1 2 287.360 0.162 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000330503806 389236159 /nfs/dbraw/zinc/23/61/59/389236159.db2.gz GARYINDTISRPQL-SECBINFHSA-N 1 2 267.333 0.291 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525963 389238724 /nfs/dbraw/zinc/23/87/24/389238724.db2.gz KLNXPJMZPQAPCZ-OLZOCXBDSA-N 1 2 297.399 0.873 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525963 389238725 /nfs/dbraw/zinc/23/87/25/389238725.db2.gz KLNXPJMZPQAPCZ-OLZOCXBDSA-N 1 2 297.399 0.873 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345798112 389315044 /nfs/dbraw/zinc/31/50/44/389315044.db2.gz XVAMSTMOXXHRKK-LLVKDONJSA-N 1 2 280.372 0.394 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345798112 389315047 /nfs/dbraw/zinc/31/50/47/389315047.db2.gz XVAMSTMOXXHRKK-LLVKDONJSA-N 1 2 280.372 0.394 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000346118335 389322027 /nfs/dbraw/zinc/32/20/27/389322027.db2.gz BLZQFSNQFRBGHS-ZNMIVQPWSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc(C)n2)CC1 ZINC000346379774 389328768 /nfs/dbraw/zinc/32/87/68/389328768.db2.gz YTVDWHNTWWVOPF-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H](C)C#N ZINC000157640491 389332332 /nfs/dbraw/zinc/33/23/32/389332332.db2.gz WXEDKFNAWUHCCL-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H](C)C#N ZINC000157640491 389332336 /nfs/dbraw/zinc/33/23/36/389332336.db2.gz WXEDKFNAWUHCCL-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000157945999 389334363 /nfs/dbraw/zinc/33/43/63/389334363.db2.gz JFXWAYJJYBUCKB-YNEHKIRRSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000157945999 389334365 /nfs/dbraw/zinc/33/43/65/389334365.db2.gz JFXWAYJJYBUCKB-YNEHKIRRSA-N 1 2 268.357 0.557 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCC3)C[C@@H]21 ZINC000152556410 389291577 /nfs/dbraw/zinc/29/15/77/389291577.db2.gz IQXJYUQGAOURBQ-RYUDHWBXSA-N 1 2 263.341 0.612 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCC3)C[C@@H]21 ZINC000152556410 389291578 /nfs/dbraw/zinc/29/15/78/389291578.db2.gz IQXJYUQGAOURBQ-RYUDHWBXSA-N 1 2 263.341 0.612 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464128 389302149 /nfs/dbraw/zinc/30/21/49/389302149.db2.gz TWQILURQLYXISM-YPMHNXCESA-N 1 2 280.372 0.651 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366464128 389302153 /nfs/dbraw/zinc/30/21/53/389302153.db2.gz TWQILURQLYXISM-YPMHNXCESA-N 1 2 280.372 0.651 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266884966 389367749 /nfs/dbraw/zinc/36/77/49/389367749.db2.gz ZHZNCBCNMWBKKV-WPRPVWTQSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266884966 389367751 /nfs/dbraw/zinc/36/77/51/389367751.db2.gz ZHZNCBCNMWBKKV-WPRPVWTQSA-N 1 2 264.247 0.123 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348383701 389376366 /nfs/dbraw/zinc/37/63/66/389376366.db2.gz ZANFTRBQSMXGBJ-AWEZNQCLSA-N 1 2 277.372 0.906 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348383701 389376371 /nfs/dbraw/zinc/37/63/71/389376371.db2.gz ZANFTRBQSMXGBJ-AWEZNQCLSA-N 1 2 277.372 0.906 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000410520488 389384782 /nfs/dbraw/zinc/38/47/82/389384782.db2.gz ZNJUIEJWHILABL-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000410520488 389384784 /nfs/dbraw/zinc/38/47/84/389384784.db2.gz ZNJUIEJWHILABL-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408430704 389349857 /nfs/dbraw/zinc/34/98/57/389349857.db2.gz XFWXFIIANRMGPE-GXFFZTMASA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408430704 389349859 /nfs/dbraw/zinc/34/98/59/389349859.db2.gz XFWXFIIANRMGPE-GXFFZTMASA-N 1 2 284.319 0.855 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000348098095 389365069 /nfs/dbraw/zinc/36/50/69/389365069.db2.gz RVFHKBLHRZEHQH-OQPBUACISA-N 1 2 277.328 0.837 20 30 CCEDLO CC#CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000334515495 389494274 /nfs/dbraw/zinc/49/42/74/389494274.db2.gz UEHCDJDJTCOWFO-UHFFFAOYSA-N 1 2 256.371 0.510 20 30 CCEDLO CC#CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000334515495 389494279 /nfs/dbraw/zinc/49/42/79/389494279.db2.gz UEHCDJDJTCOWFO-UHFFFAOYSA-N 1 2 256.371 0.510 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413237710 389483521 /nfs/dbraw/zinc/48/35/21/389483521.db2.gz XUPVGVKAFQINHR-WDEREUQCSA-N 1 2 266.345 0.288 20 30 CCEDLO C=CC[C@@H](CO)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413237710 389483523 /nfs/dbraw/zinc/48/35/23/389483523.db2.gz XUPVGVKAFQINHR-WDEREUQCSA-N 1 2 266.345 0.288 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000372003426 389441227 /nfs/dbraw/zinc/44/12/27/389441227.db2.gz NYAHSRIKRODMPW-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000372003426 389441229 /nfs/dbraw/zinc/44/12/29/389441229.db2.gz NYAHSRIKRODMPW-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)N(C)CCC#N)no1 ZINC000271333655 389442149 /nfs/dbraw/zinc/44/21/49/389442149.db2.gz CQRBCQQTYPCMMV-UHFFFAOYSA-N 1 2 279.344 0.965 20 30 CCEDLO C=C(Br)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372382068 389451057 /nfs/dbraw/zinc/45/10/57/389451057.db2.gz BQEJHRPYELRABV-UHFFFAOYSA-N 1 2 283.191 0.648 20 30 CCEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000411904491 389455464 /nfs/dbraw/zinc/45/54/64/389455464.db2.gz ADHFWBYSSQNGCU-KBPBESRZSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000411904491 389455468 /nfs/dbraw/zinc/45/54/68/389455468.db2.gz ADHFWBYSSQNGCU-KBPBESRZSA-N 1 2 289.335 0.578 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000373734381 389510566 /nfs/dbraw/zinc/51/05/66/389510566.db2.gz BOBQOTCZOCZSEF-ZDUSSCGKSA-N 1 2 288.413 0.689 20 30 CCEDLO C=CCN1CC[C@@H]([NH+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281245535 389612236 /nfs/dbraw/zinc/61/22/36/389612236.db2.gz GKGJJZXFCLOWFG-CHWSQXEVSA-N 1 2 277.368 0.492 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000281971021 389641122 /nfs/dbraw/zinc/64/11/22/389641122.db2.gz LCFRAKRKDJLOLO-UONOGXRCSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000281971021 389641124 /nfs/dbraw/zinc/64/11/24/389641124.db2.gz LCFRAKRKDJLOLO-UONOGXRCSA-N 1 2 290.367 0.371 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000425276249 389643498 /nfs/dbraw/zinc/64/34/98/389643498.db2.gz DHJZTPWSLMSBFU-SRVKXCTJSA-N 1 2 278.356 0.694 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000425276249 389643506 /nfs/dbraw/zinc/64/35/06/389643506.db2.gz DHJZTPWSLMSBFU-SRVKXCTJSA-N 1 2 278.356 0.694 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000374560535 389589162 /nfs/dbraw/zinc/58/91/62/389589162.db2.gz OXMMTCMUQNSBOS-GFCCVEGCSA-N 1 2 281.356 0.547 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000374560535 389589167 /nfs/dbraw/zinc/58/91/67/389589167.db2.gz OXMMTCMUQNSBOS-GFCCVEGCSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)OC)C1=O ZINC000282037343 389649310 /nfs/dbraw/zinc/64/93/10/389649310.db2.gz QOKYBMMRWYLOLR-LLVKDONJSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)OC)C1=O ZINC000282037343 389649313 /nfs/dbraw/zinc/64/93/13/389649313.db2.gz QOKYBMMRWYLOLR-LLVKDONJSA-N 1 2 254.330 0.658 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000426380402 389664418 /nfs/dbraw/zinc/66/44/18/389664418.db2.gz LEFRMHSICKHPCZ-UHFFFAOYSA-N 1 2 295.387 0.271 20 30 CCEDLO C=C(C)C[N@@H+](C)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000181250496 389683514 /nfs/dbraw/zinc/68/35/14/389683514.db2.gz GTOLPZMDPHDTTO-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)C[N@H+](C)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000181250496 389683516 /nfs/dbraw/zinc/68/35/16/389683516.db2.gz GTOLPZMDPHDTTO-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375663013 389697658 /nfs/dbraw/zinc/69/76/58/389697658.db2.gz ASQOQKGVYIWNLB-HNNXBMFYSA-N 1 2 295.383 0.630 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375663013 389697661 /nfs/dbraw/zinc/69/76/61/389697661.db2.gz ASQOQKGVYIWNLB-HNNXBMFYSA-N 1 2 295.383 0.630 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC000395346376 389777345 /nfs/dbraw/zinc/77/73/45/389777345.db2.gz JEKZZKSSLNDJLP-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC000395346376 389777348 /nfs/dbraw/zinc/77/73/48/389777348.db2.gz JEKZZKSSLNDJLP-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376369187 389734257 /nfs/dbraw/zinc/73/42/57/389734257.db2.gz PNSVQFFNQLHQMF-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000352412799 389806848 /nfs/dbraw/zinc/80/68/48/389806848.db2.gz IZVZNSYNJOUKOR-LBPRGKRZSA-N 1 2 293.392 0.876 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000352412799 389806850 /nfs/dbraw/zinc/80/68/50/389806850.db2.gz IZVZNSYNJOUKOR-LBPRGKRZSA-N 1 2 293.392 0.876 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000407951613 389815307 /nfs/dbraw/zinc/81/53/07/389815307.db2.gz CLOOTXKJZQJHJC-GFCCVEGCSA-N 1 2 288.417 0.349 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352482685 389818086 /nfs/dbraw/zinc/81/80/86/389818086.db2.gz HFJAQYXQWQHHJZ-UHFFFAOYSA-N 1 2 298.362 0.299 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@H]1[C@H]1CCCO1 ZINC000408211107 389835844 /nfs/dbraw/zinc/83/58/44/389835844.db2.gz MSBGUCANSDHJFN-PWSUYJOCSA-N 1 2 251.330 0.516 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@H]1[C@H]1CCCO1 ZINC000408211107 389835846 /nfs/dbraw/zinc/83/58/46/389835846.db2.gz MSBGUCANSDHJFN-PWSUYJOCSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)nn2C)C1=O ZINC000418046334 389867697 /nfs/dbraw/zinc/86/76/97/389867697.db2.gz PBFOMAIKQXBAQE-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)nn2C)C1=O ZINC000418046334 389867698 /nfs/dbraw/zinc/86/76/98/389867698.db2.gz PBFOMAIKQXBAQE-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)CC(C)(C)C#N ZINC000433289825 389907853 /nfs/dbraw/zinc/90/78/53/389907853.db2.gz RESRTRPQAPGBKY-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC(C)(C)C#N ZINC000433289825 389907854 /nfs/dbraw/zinc/90/78/54/389907854.db2.gz RESRTRPQAPGBKY-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO COC[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000446122795 389931375 /nfs/dbraw/zinc/93/13/75/389931375.db2.gz PAGSPNGYQLSIAF-CQSZACIVSA-N 1 2 297.399 0.733 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](F)CC)CC1 ZINC000440689843 390042283 /nfs/dbraw/zinc/04/22/83/390042283.db2.gz DNPNQOMQHQTFDO-GFCCVEGCSA-N 1 2 257.353 0.654 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH+]1CCOCC1 ZINC000437646389 389995642 /nfs/dbraw/zinc/99/56/42/389995642.db2.gz OKZGFHHDUFYZRR-CQSZACIVSA-N 1 2 270.373 0.664 20 30 CCEDLO N#Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)s1 ZINC000420762807 390030598 /nfs/dbraw/zinc/03/05/98/390030598.db2.gz NAAMTTKQAKTFBM-UHFFFAOYSA-N 1 2 294.380 0.751 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459507993 390075712 /nfs/dbraw/zinc/07/57/12/390075712.db2.gz KDPKENCUGPGASN-CHWSQXEVSA-N 1 2 277.280 0.658 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459507993 390075713 /nfs/dbraw/zinc/07/57/13/390075713.db2.gz KDPKENCUGPGASN-CHWSQXEVSA-N 1 2 277.280 0.658 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489626240 390101457 /nfs/dbraw/zinc/10/14/57/390101457.db2.gz KENJMHLUHSDVJE-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO C#CC[N@H+](CC#CC)CCNS(=O)(=O)c1ccccc1 ZINC000490674387 390107056 /nfs/dbraw/zinc/10/70/56/390107056.db2.gz BAZZAJLKVKAARY-UHFFFAOYSA-N 1 2 290.388 0.923 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCNS(=O)(=O)c1ccccc1 ZINC000490674387 390107057 /nfs/dbraw/zinc/10/70/57/390107057.db2.gz BAZZAJLKVKAARY-UHFFFAOYSA-N 1 2 290.388 0.923 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000491374754 390112690 /nfs/dbraw/zinc/11/26/90/390112690.db2.gz SPHONYDGCIEWFI-NWDGAFQWSA-N 1 2 262.313 0.315 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCCN(O)C1=O ZINC000493868123 390130348 /nfs/dbraw/zinc/13/03/48/390130348.db2.gz ICRQBEOUNCJOND-PORFMDCZSA-N 1 2 278.312 0.413 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000536018248 390156653 /nfs/dbraw/zinc/15/66/53/390156653.db2.gz NYYUIWJHFRVUAQ-UHFFFAOYSA-N 1 2 278.381 0.505 20 30 CCEDLO C=CCn1cc(CNC(=O)CCCn2cc[nH+]c2)nn1 ZINC000644785707 390313731 /nfs/dbraw/zinc/31/37/31/390313731.db2.gz SMIOQYJXUBAEKR-UHFFFAOYSA-N 1 2 274.328 0.757 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000565050569 390499689 /nfs/dbraw/zinc/49/96/89/390499689.db2.gz GGHJWVBETPJBHX-MISXGVKJSA-N 1 2 281.356 0.536 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000649180672 390510082 /nfs/dbraw/zinc/51/00/82/390510082.db2.gz KJWBTDWEYWUVCI-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036390 390579238 /nfs/dbraw/zinc/57/92/38/390579238.db2.gz BOGVTZCZXGPZQD-LBPRGKRZSA-N 1 2 259.371 0.842 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646036390 390579241 /nfs/dbraw/zinc/57/92/41/390579241.db2.gz BOGVTZCZXGPZQD-LBPRGKRZSA-N 1 2 259.371 0.842 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215753 390526512 /nfs/dbraw/zinc/52/65/12/390526512.db2.gz ANBIUTSCCHUOLX-VXGBXAGGSA-N 1 2 263.341 0.746 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000519679992 390527800 /nfs/dbraw/zinc/52/78/00/390527800.db2.gz KGZOBIFHRIZKQQ-UHFFFAOYSA-N 1 2 285.351 0.308 20 30 CCEDLO CN(CC(=O)NC1(C#N)CCC1)Cc1[nH+]ccn1C ZINC000527377386 390704160 /nfs/dbraw/zinc/70/41/60/390704160.db2.gz DGHKYPJERMFGOE-UHFFFAOYSA-N 1 2 261.329 0.414 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn2c(n1)CCC2 ZINC000567617658 390706797 /nfs/dbraw/zinc/70/67/97/390706797.db2.gz QIFFJBSOMJVUOX-CYBMUJFWSA-N 1 2 261.329 0.403 20 30 CCEDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]CCC#N ZINC000567679936 390710448 /nfs/dbraw/zinc/71/04/48/390710448.db2.gz JSNMTTNSNKBMSD-UHFFFAOYSA-N 1 2 267.354 0.940 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000568198652 390713026 /nfs/dbraw/zinc/71/30/26/390713026.db2.gz FGHLOCSXDUCCGL-UHFFFAOYSA-N 1 2 286.291 0.782 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cn2ccsc2n1 ZINC000568399352 390713853 /nfs/dbraw/zinc/71/38/53/390713853.db2.gz KMMDHBFIBDKPQI-ZDUSSCGKSA-N 1 2 291.380 0.898 20 30 CCEDLO Cc1cc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]n1CCC#N ZINC000527003229 390688483 /nfs/dbraw/zinc/68/84/83/390688483.db2.gz URTCDJAEBLUMOQ-UHFFFAOYSA-N 1 2 272.312 0.822 20 30 CCEDLO Cc1cc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000527003229 390688484 /nfs/dbraw/zinc/68/84/84/390688484.db2.gz URTCDJAEBLUMOQ-UHFFFAOYSA-N 1 2 272.312 0.822 20 30 CCEDLO C=CC[N@@H+](Cc1ncccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000567311466 390692601 /nfs/dbraw/zinc/69/26/01/390692601.db2.gz FIIYYGWCESQRAE-LLVKDONJSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@H+](Cc1ncccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000567311466 390692602 /nfs/dbraw/zinc/69/26/02/390692602.db2.gz FIIYYGWCESQRAE-LLVKDONJSA-N 1 2 282.365 0.962 20 30 CCEDLO COCc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000529817157 390867110 /nfs/dbraw/zinc/86/71/10/390867110.db2.gz VKTWTDYNNHGBHP-AWEZNQCLSA-N 1 2 289.335 0.974 20 30 CCEDLO COCc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000529817157 390867112 /nfs/dbraw/zinc/86/71/12/390867112.db2.gz VKTWTDYNNHGBHP-AWEZNQCLSA-N 1 2 289.335 0.974 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3[nH+]ccn3C)CC2)c1C#N ZINC000530352416 390876244 /nfs/dbraw/zinc/87/62/44/390876244.db2.gz DGVJHJQFWGAXLC-UHFFFAOYSA-N 1 2 299.382 0.656 20 30 CCEDLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n(CCC#N)n1 ZINC000530808106 390877368 /nfs/dbraw/zinc/87/73/68/390877368.db2.gz XAUBIDMNYXOASW-LLVKDONJSA-N 1 2 277.328 0.374 20 30 CCEDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n(CCC#N)n1 ZINC000530808106 390877369 /nfs/dbraw/zinc/87/73/69/390877369.db2.gz XAUBIDMNYXOASW-LLVKDONJSA-N 1 2 277.328 0.374 20 30 CCEDLO C=CCn1cc(CNc2[nH+]cnc3c2cnn3C)nn1 ZINC000578350845 390878949 /nfs/dbraw/zinc/87/89/49/390878949.db2.gz ZVXGWNCZQCOOPD-UHFFFAOYSA-N 1 2 270.300 0.753 20 30 CCEDLO COC(=O)c1cccc(C[NH+]2CC(C)(C(N)=O)C2)c1C#N ZINC000578353400 390879236 /nfs/dbraw/zinc/87/92/36/390879236.db2.gz AORNECJSFZZZKI-UHFFFAOYSA-N 1 2 287.319 0.652 20 30 CCEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000578545599 390891347 /nfs/dbraw/zinc/89/13/47/390891347.db2.gz WXBMBQBJPKZSIQ-LBPRGKRZSA-N 1 2 280.372 0.300 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000268457197 132012071 /nfs/dbraw/zinc/01/20/71/132012071.db2.gz NJZKVYOOJMLHCH-BXUZGUMPSA-N 1 2 289.335 0.512 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000268457197 132012073 /nfs/dbraw/zinc/01/20/73/132012073.db2.gz NJZKVYOOJMLHCH-BXUZGUMPSA-N 1 2 289.335 0.512 20 30 CCEDLO Cn1ncc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000356524709 144011028 /nfs/dbraw/zinc/01/10/28/144011028.db2.gz BDURCGXZWNKLOH-NSHDSACASA-N 1 2 296.334 0.695 20 30 CCEDLO C[C@H](NC(=O)c1cnccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000358761995 144178227 /nfs/dbraw/zinc/17/82/27/144178227.db2.gz UIXXDIAWDSKJHG-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491627094 397560075 /nfs/dbraw/zinc/56/00/75/397560075.db2.gz JPOMTDQXMMXDLO-ZDUSSCGKSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491627094 397560080 /nfs/dbraw/zinc/56/00/80/397560080.db2.gz JPOMTDQXMMXDLO-ZDUSSCGKSA-N 1 2 295.383 0.141 20 30 CCEDLO COC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000007016642 170262539 /nfs/dbraw/zinc/26/25/39/170262539.db2.gz XZTWTJJOGQYHAO-HNNXBMFYSA-N 1 2 295.383 0.926 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)nn1 ZINC000653661235 412332075 /nfs/dbraw/zinc/33/20/75/412332075.db2.gz HHZBRBOMFWRFLN-JQWIXIFHSA-N 1 2 263.345 0.468 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000653756599 412342043 /nfs/dbraw/zinc/34/20/43/412342043.db2.gz DSCFDOLJEVYNHW-WCQYABFASA-N 1 2 253.346 0.998 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285722948 196379462 /nfs/dbraw/zinc/37/94/62/196379462.db2.gz XBCJTCHKEKSGJS-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285722948 196379464 /nfs/dbraw/zinc/37/94/64/196379464.db2.gz XBCJTCHKEKSGJS-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329123520 227313024 /nfs/dbraw/zinc/31/30/24/227313024.db2.gz XEZQJCNZHPWTQJ-AGIUHOORSA-N 1 2 285.388 0.778 20 30 CCEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329123520 227313027 /nfs/dbraw/zinc/31/30/27/227313027.db2.gz XEZQJCNZHPWTQJ-AGIUHOORSA-N 1 2 285.388 0.778 20 30 CCEDLO O=C(CN1CCOCC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329882834 227975413 /nfs/dbraw/zinc/97/54/13/227975413.db2.gz QLFCPVSDZBDUPQ-SNVBAGLBSA-N 1 2 278.312 0.013 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000330326035 228148247 /nfs/dbraw/zinc/14/82/47/228148247.db2.gz JTPOPUIBIZVBRT-YNEHKIRRSA-N 1 2 285.388 0.636 20 30 CCEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC12CCCC2 ZINC000333582385 228205492 /nfs/dbraw/zinc/20/54/92/228205492.db2.gz RPXUTVQUCJZUKP-CZUORRHYSA-N 1 2 288.395 0.576 20 30 CCEDLO C=CCCC[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000117873123 260117528 /nfs/dbraw/zinc/11/75/28/260117528.db2.gz DYRPOSBMEMQBIM-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCCC[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000117873123 260117530 /nfs/dbraw/zinc/11/75/30/260117530.db2.gz DYRPOSBMEMQBIM-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnn(C)c1 ZINC000078720929 260302200 /nfs/dbraw/zinc/30/22/00/260302200.db2.gz BRYMHWFBMJQEGY-NSHDSACASA-N 1 2 263.345 0.612 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnn(C)c1 ZINC000078720929 260302202 /nfs/dbraw/zinc/30/22/02/260302202.db2.gz BRYMHWFBMJQEGY-NSHDSACASA-N 1 2 263.345 0.612 20 30 CCEDLO Cc1csc(CO[NH+]=C(N)CN2CCOCC2)n1 ZINC000088520553 260428938 /nfs/dbraw/zinc/42/89/38/260428938.db2.gz DLTWVCAMOJQLIT-UHFFFAOYSA-N 1 2 270.358 0.573 20 30 CCEDLO CCOC(=O)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000092795344 260502054 /nfs/dbraw/zinc/50/20/54/260502054.db2.gz LQKUYSYIMUNRJN-UHFFFAOYSA-N 1 2 255.318 0.243 20 30 CCEDLO CCOC(=O)C[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000092795344 260502056 /nfs/dbraw/zinc/50/20/56/260502056.db2.gz LQKUYSYIMUNRJN-UHFFFAOYSA-N 1 2 255.318 0.243 20 30 CCEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C(N)=O)c1 ZINC000112336215 260661157 /nfs/dbraw/zinc/66/11/57/260661157.db2.gz YXCNNWPYVNZMMC-UHFFFAOYSA-N 1 2 292.339 0.489 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cncnc1 ZINC000154760184 261094722 /nfs/dbraw/zinc/09/47/22/261094722.db2.gz OSZSGUNADDNGFC-UHFFFAOYSA-N 1 2 275.356 0.524 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)OC[C@H]2CC)CC1 ZINC000490762040 261203626 /nfs/dbraw/zinc/20/36/26/261203626.db2.gz ZOUSLOWWTSMVCR-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)OC[C@H]2CC)CC1 ZINC000490762040 261203628 /nfs/dbraw/zinc/20/36/28/261203628.db2.gz ZOUSLOWWTSMVCR-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160505897 261215938 /nfs/dbraw/zinc/21/59/38/261215938.db2.gz HGQAEUKIEIREBX-UHFFFAOYSA-N 1 2 272.352 0.968 20 30 CCEDLO CN(CCC#N)c1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000160505897 261215942 /nfs/dbraw/zinc/21/59/42/261215942.db2.gz HGQAEUKIEIREBX-UHFFFAOYSA-N 1 2 272.352 0.968 20 30 CCEDLO C=CCN(CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161749295 261258811 /nfs/dbraw/zinc/25/88/11/261258811.db2.gz SYJVFKKPZUXDJS-GFCCVEGCSA-N 1 2 269.370 0.558 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000249894281 261261024 /nfs/dbraw/zinc/26/10/24/261261024.db2.gz REGXOZTZORDHNW-VXGBXAGGSA-N 1 2 294.399 0.580 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000249894281 261261026 /nfs/dbraw/zinc/26/10/26/261261026.db2.gz REGXOZTZORDHNW-VXGBXAGGSA-N 1 2 294.399 0.580 20 30 CCEDLO C=CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000103504878 261282377 /nfs/dbraw/zinc/28/23/77/261282377.db2.gz OYPBLHTYNHIRKJ-LLVKDONJSA-N 1 2 280.372 0.167 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000176643670 261303181 /nfs/dbraw/zinc/30/31/81/261303181.db2.gz FGFMFHCOCCYLHF-STQMWFEESA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000176643670 261303183 /nfs/dbraw/zinc/30/31/83/261303183.db2.gz FGFMFHCOCCYLHF-STQMWFEESA-N 1 2 265.357 0.906 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000491119908 261336544 /nfs/dbraw/zinc/33/65/44/261336544.db2.gz KQCDBRZOYIAJKR-LBPRGKRZSA-N 1 2 290.342 0.481 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CCOc3cc[nH+]cc32)CC1 ZINC000165886699 261379031 /nfs/dbraw/zinc/37/90/31/261379031.db2.gz AJRXDQLPKUECPH-UHFFFAOYSA-N 1 2 279.321 0.914 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000526058247 262083779 /nfs/dbraw/zinc/08/37/79/262083779.db2.gz BADLHBNCECUBBJ-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000526058247 262083781 /nfs/dbraw/zinc/08/37/81/262083781.db2.gz BADLHBNCECUBBJ-IUODEOHRSA-N 1 2 293.367 0.429 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000372814919 262274973 /nfs/dbraw/zinc/27/49/73/262274973.db2.gz LXDVGUSOAGRQKI-AWEZNQCLSA-N 1 2 278.377 0.662 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000372814919 262274975 /nfs/dbraw/zinc/27/49/75/262274975.db2.gz LXDVGUSOAGRQKI-AWEZNQCLSA-N 1 2 278.377 0.662 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187444031 262649568 /nfs/dbraw/zinc/64/95/68/262649568.db2.gz FHGSGNAIYBCGBR-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187444031 262649569 /nfs/dbraw/zinc/64/95/69/262649569.db2.gz FHGSGNAIYBCGBR-CHWSQXEVSA-N 1 2 281.400 0.997 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(C(F)F)n1 ZINC000274507308 263025056 /nfs/dbraw/zinc/02/50/56/263025056.db2.gz UCBLFLBONCZVNJ-UHFFFAOYSA-N 1 2 269.299 0.999 20 30 CCEDLO C=CCN1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1=O ZINC000281340477 263068257 /nfs/dbraw/zinc/06/82/57/263068257.db2.gz WJYWPMSMGBOMPC-NSHDSACASA-N 1 2 275.356 0.491 20 30 CCEDLO C#CCN(CC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000282099095 263074229 /nfs/dbraw/zinc/07/42/29/263074229.db2.gz VWRSGUCWZVKRKG-UHFFFAOYSA-N 1 2 297.362 0.189 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042643125 263288760 /nfs/dbraw/zinc/28/87/60/263288760.db2.gz QYFBZBOIXMRIDT-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000042643125 263288761 /nfs/dbraw/zinc/28/87/61/263288761.db2.gz QYFBZBOIXMRIDT-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341987396 263381256 /nfs/dbraw/zinc/38/12/56/263381256.db2.gz GSOBRDLBXZQCPR-NSHDSACASA-N 1 2 296.371 0.473 20 30 CCEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC000330437651 263922485 /nfs/dbraw/zinc/92/24/85/263922485.db2.gz BXPZVUFBIDPOJS-LLVKDONJSA-N 1 2 295.339 0.093 20 30 CCEDLO Cc1ccnc(C[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330691539 264003967 /nfs/dbraw/zinc/00/39/67/264003967.db2.gz GULHASVNOMCTEC-UHFFFAOYSA-N 1 2 251.334 0.692 20 30 CCEDLO Cc1ccnc(C[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330691539 264003970 /nfs/dbraw/zinc/00/39/70/264003970.db2.gz GULHASVNOMCTEC-UHFFFAOYSA-N 1 2 251.334 0.692 20 30 CCEDLO CCc1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)co1 ZINC000330802154 264041750 /nfs/dbraw/zinc/04/17/50/264041750.db2.gz APJDOQROFYYHAG-AWEZNQCLSA-N 1 2 297.355 0.625 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](CCO)C1 ZINC000330934369 264079827 /nfs/dbraw/zinc/07/98/27/264079827.db2.gz IGXCPULXBLNPNV-OLZOCXBDSA-N 1 2 285.388 0.325 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](CCO)C1 ZINC000330934693 264079907 /nfs/dbraw/zinc/07/99/07/264079907.db2.gz JXGGLLLJYFISLX-ZIAGYGMSSA-N 1 2 298.431 0.241 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000330941729 264083554 /nfs/dbraw/zinc/08/35/54/264083554.db2.gz FWOCVEBLNFTPJV-LBPRGKRZSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000330941729 264083555 /nfs/dbraw/zinc/08/35/55/264083555.db2.gz FWOCVEBLNFTPJV-LBPRGKRZSA-N 1 2 294.330 0.972 20 30 CCEDLO C[C@@H](CNC(=O)CC(C)(C)C#N)[NH+]1CCN(C)CC1 ZINC000330989388 264104623 /nfs/dbraw/zinc/10/46/23/264104623.db2.gz ZQFOPCFDTNTFPJ-LBPRGKRZSA-N 1 2 266.389 0.678 20 30 CCEDLO CSc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1C ZINC000331075524 264115334 /nfs/dbraw/zinc/11/53/34/264115334.db2.gz HPDLGHITDAVENI-VIFPVBQESA-N 1 2 284.385 0.777 20 30 CCEDLO CSc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1C ZINC000331075524 264115336 /nfs/dbraw/zinc/11/53/36/264115336.db2.gz HPDLGHITDAVENI-VIFPVBQESA-N 1 2 284.385 0.777 20 30 CCEDLO CN(C)[C@H](C(=O)NCC(C)(C)C#N)c1c[nH+]cn1C ZINC000331159386 264142403 /nfs/dbraw/zinc/14/24/03/264142403.db2.gz QTFJAOJSYBKIBM-NSHDSACASA-N 1 2 263.345 0.689 20 30 CCEDLO Cc1nc(C)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)o1 ZINC000331188789 264157239 /nfs/dbraw/zinc/15/72/39/264157239.db2.gz PYUXPHBQXKRCCQ-AWEZNQCLSA-N 1 2 297.355 0.679 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000334022298 264233414 /nfs/dbraw/zinc/23/34/14/264233414.db2.gz NYOFQJLJNPOSCJ-VXGBXAGGSA-N 1 2 283.372 0.744 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000334022298 264233416 /nfs/dbraw/zinc/23/34/16/264233416.db2.gz NYOFQJLJNPOSCJ-VXGBXAGGSA-N 1 2 283.372 0.744 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871919 264299313 /nfs/dbraw/zinc/29/93/13/264299313.db2.gz FENKZDDGJVGBMC-JTQLQIEISA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871919 264299314 /nfs/dbraw/zinc/29/93/14/264299314.db2.gz FENKZDDGJVGBMC-JTQLQIEISA-N 1 2 269.345 0.498 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000077170221 264349791 /nfs/dbraw/zinc/34/97/91/264349791.db2.gz GEXJXDWVXPZPIH-JSGCOSHPSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000077170221 264349792 /nfs/dbraw/zinc/34/97/92/264349792.db2.gz GEXJXDWVXPZPIH-JSGCOSHPSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2C(N)=O)C1=O ZINC000282039363 264493306 /nfs/dbraw/zinc/49/33/06/264493306.db2.gz QSGIJJPBKRBFBJ-WDEREUQCSA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2C(N)=O)C1=O ZINC000282039363 264493308 /nfs/dbraw/zinc/49/33/08/264493308.db2.gz QSGIJJPBKRBFBJ-WDEREUQCSA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356761380 266170428 /nfs/dbraw/zinc/17/04/28/266170428.db2.gz DSTNYVRORFGENO-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356859306 266194860 /nfs/dbraw/zinc/19/48/60/266194860.db2.gz KGQULHKFPVYUMT-OAHLLOKOSA-N 1 2 290.363 0.796 20 30 CCEDLO CCN(C)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000357941941 266388043 /nfs/dbraw/zinc/38/80/43/266388043.db2.gz JAUPKHLQEMCJJK-UHFFFAOYSA-N 1 2 282.388 0.013 20 30 CCEDLO C=CCCCN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361561974 266848937 /nfs/dbraw/zinc/84/89/37/266848937.db2.gz JREUFBVHDXMFGX-UHFFFAOYSA-N 1 2 290.429 0.937 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CCN1C1CC1 ZINC000369220926 267227578 /nfs/dbraw/zinc/22/75/78/267227578.db2.gz VCSZGBUVWPBIDU-CYBMUJFWSA-N 1 2 288.355 0.265 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369219711 267227923 /nfs/dbraw/zinc/22/79/23/267227923.db2.gz PTBNWFYHXSWJID-LBPRGKRZSA-N 1 2 288.355 0.302 20 30 CCEDLO Cc1cc(NCCCNS(C)(=O)=O)c(C#N)c[nH+]1 ZINC000399603974 267300464 /nfs/dbraw/zinc/30/04/64/267300464.db2.gz WEBXMFCOJNNZAY-UHFFFAOYSA-N 1 2 268.342 0.035 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000526106337 267324990 /nfs/dbraw/zinc/32/49/90/267324990.db2.gz XAXOUKROJJXAKZ-UHFFFAOYSA-N 1 2 297.318 0.889 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000519544214 267362660 /nfs/dbraw/zinc/36/26/60/267362660.db2.gz FIUJZDHORJUXCP-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000519544214 267362662 /nfs/dbraw/zinc/36/26/62/267362662.db2.gz FIUJZDHORJUXCP-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000376674661 268008105 /nfs/dbraw/zinc/00/81/05/268008105.db2.gz VIWFIWUYCQCKEU-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000376674661 268008106 /nfs/dbraw/zinc/00/81/06/268008106.db2.gz VIWFIWUYCQCKEU-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000496553618 278712400 /nfs/dbraw/zinc/71/24/00/278712400.db2.gz WWXPFWKGIGLAPK-NSHDSACASA-N 1 2 258.281 0.903 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330335699 288350348 /nfs/dbraw/zinc/35/03/48/288350348.db2.gz RSURTIUTVSGXOT-VOAKCMCISA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330335699 288350349 /nfs/dbraw/zinc/35/03/49/288350349.db2.gz RSURTIUTVSGXOT-VOAKCMCISA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329047959 289231843 /nfs/dbraw/zinc/23/18/43/289231843.db2.gz GHGXHMZLUUEDJS-WOPDTQHZSA-N 1 2 283.372 0.673 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329047959 289231844 /nfs/dbraw/zinc/23/18/44/289231844.db2.gz GHGXHMZLUUEDJS-WOPDTQHZSA-N 1 2 283.372 0.673 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000354075333 290049529 /nfs/dbraw/zinc/04/95/29/290049529.db2.gz KEGVJWWMICXPGK-UHFFFAOYSA-N 1 2 271.386 0.648 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330346320 290106010 /nfs/dbraw/zinc/10/60/10/290106010.db2.gz GJNUAMZLUWUTND-OLZOCXBDSA-N 1 2 297.399 0.610 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330346320 290106013 /nfs/dbraw/zinc/10/60/13/290106013.db2.gz GJNUAMZLUWUTND-OLZOCXBDSA-N 1 2 297.399 0.610 20 30 CCEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)C1 ZINC000330276427 295389672 /nfs/dbraw/zinc/38/96/72/295389672.db2.gz MWUYKWSOFVILRN-VIFPVBQESA-N 1 2 263.301 0.384 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000376121550 327713724 /nfs/dbraw/zinc/71/37/24/327713724.db2.gz YTTPNUBFZZOZPT-WCQYABFASA-N 1 2 250.346 0.042 20 30 CCEDLO C=CCCC[NH2+]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000337472208 327955317 /nfs/dbraw/zinc/95/53/17/327955317.db2.gz WQFUYZYURJRXPX-UHFFFAOYSA-N 1 2 275.370 0.663 20 30 CCEDLO Cn1cnc2c1nccc2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571527202 328131985 /nfs/dbraw/zinc/13/19/85/328131985.db2.gz UDKPTWYHEBNVRM-CQSZACIVSA-N 1 2 286.339 0.542 20 30 CCEDLO COc1cccc(CNC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000275536122 328215296 /nfs/dbraw/zinc/21/52/96/328215296.db2.gz RIBBYSWSWCJOOR-SNVBAGLBSA-N 1 2 295.339 0.371 20 30 CCEDLO COc1cccc(CNC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000275536117 328215354 /nfs/dbraw/zinc/21/53/54/328215354.db2.gz RIBBYSWSWCJOOR-JTQLQIEISA-N 1 2 295.339 0.371 20 30 CCEDLO CO/N=C/C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000283647965 328244702 /nfs/dbraw/zinc/24/47/02/328244702.db2.gz CSBQVRRBKSMDBU-NTEUORMPSA-N 1 2 278.312 0.797 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000331239267 328479092 /nfs/dbraw/zinc/47/90/92/328479092.db2.gz JSUAJLQQBSRUSC-NSHDSACASA-N 1 2 256.346 0.008 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283809040 328516462 /nfs/dbraw/zinc/51/64/62/328516462.db2.gz ISGUKANSMUWSNI-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO COCCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000174831072 329163566 /nfs/dbraw/zinc/16/35/66/329163566.db2.gz VQFWATGRVJFZHT-UHFFFAOYSA-N 1 2 269.389 0.961 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000583221034 329377850 /nfs/dbraw/zinc/37/78/50/329377850.db2.gz ZJUNFOISCQNMDB-SECBINFHSA-N 1 2 264.329 0.795 20 30 CCEDLO C=CCn1c(C)nnc1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000066237949 329813059 /nfs/dbraw/zinc/81/30/59/329813059.db2.gz FZVWDYRLAHFMDV-LBPRGKRZSA-N 1 2 298.412 0.558 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261691077 329978020 /nfs/dbraw/zinc/97/80/20/329978020.db2.gz HRXPLOYYQVYTOM-UHFFFAOYSA-N 1 2 295.412 0.145 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cc(C(N)=O)cs2)nn1 ZINC000424174386 330314296 /nfs/dbraw/zinc/31/42/96/330314296.db2.gz RUFUARBSVTZGNP-UHFFFAOYSA-N 1 2 277.353 0.914 20 30 CCEDLO C#CC[N@@H+](CCCCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000116878740 330361208 /nfs/dbraw/zinc/36/12/08/330361208.db2.gz QUCGZVRAPSHJFE-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C#CC[N@H+](CCCCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000116878740 330361209 /nfs/dbraw/zinc/36/12/09/330361209.db2.gz QUCGZVRAPSHJFE-CYBMUJFWSA-N 1 2 273.398 0.925 20 30 CCEDLO C=CCC1(C(=O)NCC[NH+]2CCOCC2)CCOCC1 ZINC000424528707 330366894 /nfs/dbraw/zinc/36/68/94/330366894.db2.gz RAYSVRQGBFUAQW-UHFFFAOYSA-N 1 2 282.384 0.808 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)CC#N ZINC000438877037 330730500 /nfs/dbraw/zinc/73/05/00/330730500.db2.gz SKGUSAYETYTFBG-MRVPVSSYSA-N 1 2 262.269 0.447 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451740709 331040838 /nfs/dbraw/zinc/04/08/38/331040838.db2.gz YZXMJXLPZGQVHD-JTQLQIEISA-N 1 2 279.340 0.882 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451740709 331040839 /nfs/dbraw/zinc/04/08/39/331040839.db2.gz YZXMJXLPZGQVHD-JTQLQIEISA-N 1 2 279.340 0.882 20 30 CCEDLO C=CC(C)(C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000454248771 331142864 /nfs/dbraw/zinc/14/28/64/331142864.db2.gz VWOSAWHLZSCLHD-UHFFFAOYSA-N 1 2 255.362 0.830 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000457755458 331233354 /nfs/dbraw/zinc/23/33/54/331233354.db2.gz PYJLWKPIWYHIHJ-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000458314072 331248208 /nfs/dbraw/zinc/24/82/08/331248208.db2.gz OPPHSZCGTIXYJG-HZSPNIEDSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458586120 331253672 /nfs/dbraw/zinc/25/36/72/331253672.db2.gz VGKPBNCECIUEJJ-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458586120 331253673 /nfs/dbraw/zinc/25/36/73/331253673.db2.gz VGKPBNCECIUEJJ-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO OC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000459698186 331294900 /nfs/dbraw/zinc/29/49/00/331294900.db2.gz MWGYIFIEIWOPQG-JSGCOSHPSA-N 1 2 265.740 0.977 20 30 CCEDLO OC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000459698186 331294901 /nfs/dbraw/zinc/29/49/01/331294901.db2.gz MWGYIFIEIWOPQG-JSGCOSHPSA-N 1 2 265.740 0.977 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000490680119 332103438 /nfs/dbraw/zinc/10/34/38/332103438.db2.gz XPDKXMLQCLGSHC-GFCCVEGCSA-N 1 2 279.384 0.456 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000490680119 332103439 /nfs/dbraw/zinc/10/34/39/332103439.db2.gz XPDKXMLQCLGSHC-GFCCVEGCSA-N 1 2 279.384 0.456 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NCCCC ZINC000490695369 332105340 /nfs/dbraw/zinc/10/53/40/332105340.db2.gz DMBVUILOIRTBTJ-UHFFFAOYSA-N 1 2 263.341 0.571 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NCCCC ZINC000490695369 332105341 /nfs/dbraw/zinc/10/53/41/332105341.db2.gz DMBVUILOIRTBTJ-UHFFFAOYSA-N 1 2 263.341 0.571 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000490713132 332107296 /nfs/dbraw/zinc/10/72/96/332107296.db2.gz HVKNYMIVVMVHNN-UHFFFAOYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000490713132 332107297 /nfs/dbraw/zinc/10/72/97/332107297.db2.gz HVKNYMIVVMVHNN-UHFFFAOYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)CC1 ZINC000490779673 332114877 /nfs/dbraw/zinc/11/48/77/332114877.db2.gz YTXFUQNSGUMMNN-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)CC1 ZINC000490779673 332114879 /nfs/dbraw/zinc/11/48/79/332114879.db2.gz YTXFUQNSGUMMNN-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000490780245 332115233 /nfs/dbraw/zinc/11/52/33/332115233.db2.gz HNOPKYLXCWQFQE-JTQLQIEISA-N 1 2 279.340 0.460 20 30 CCEDLO C#CC[N@H+](CC)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000490780245 332115235 /nfs/dbraw/zinc/11/52/35/332115235.db2.gz HNOPKYLXCWQFQE-JTQLQIEISA-N 1 2 279.340 0.460 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCC(F)(F)C2)CC1 ZINC000490914129 332128370 /nfs/dbraw/zinc/12/83/70/332128370.db2.gz FVVNIQBOYRKXEZ-UHFFFAOYSA-N 1 2 271.311 0.105 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000491166656 332160047 /nfs/dbraw/zinc/16/00/47/332160047.db2.gz TZKLBHXXBHUNAV-CQSZACIVSA-N 1 2 283.335 0.623 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491220108 332168516 /nfs/dbraw/zinc/16/85/16/332168516.db2.gz KIZMNUJIZRVCQZ-MCIONIFRSA-N 1 2 279.384 0.903 20 30 CCEDLO C#C[C@H](C)N(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000491326297 332190481 /nfs/dbraw/zinc/19/04/81/332190481.db2.gz LSSYCAUFQQVOSZ-NSHDSACASA-N 1 2 270.336 0.914 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000491349503 332194851 /nfs/dbraw/zinc/19/48/51/332194851.db2.gz IRHFOEMBAWFADK-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491555743 332237705 /nfs/dbraw/zinc/23/77/05/332237705.db2.gz TUCSCSVYVVGJGE-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491555743 332237706 /nfs/dbraw/zinc/23/77/06/332237706.db2.gz TUCSCSVYVVGJGE-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[N@@H+](CCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491717991 332307204 /nfs/dbraw/zinc/30/72/04/332307204.db2.gz YJSNNDGOVNEIMN-AWEZNQCLSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491717991 332307206 /nfs/dbraw/zinc/30/72/06/332307206.db2.gz YJSNNDGOVNEIMN-AWEZNQCLSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491801734 332356007 /nfs/dbraw/zinc/35/60/07/332356007.db2.gz DOZUYJLXFQVVQH-NWDGAFQWSA-N 1 2 270.354 0.037 20 30 CCEDLO C#CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491801734 332356009 /nfs/dbraw/zinc/35/60/09/332356009.db2.gz DOZUYJLXFQVVQH-NWDGAFQWSA-N 1 2 270.354 0.037 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@]1(C#N)CCOC1 ZINC000492699748 332409981 /nfs/dbraw/zinc/40/99/81/332409981.db2.gz BXIONLGQGNQJPB-SCOBNMCVSA-N 1 2 260.297 0.715 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@]1(C#N)CCOC1 ZINC000492699743 332410013 /nfs/dbraw/zinc/41/00/13/332410013.db2.gz BXIONLGQGNQJPB-DHCBQETCSA-N 1 2 260.297 0.715 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492943844 332419518 /nfs/dbraw/zinc/41/95/18/332419518.db2.gz CBOCOGFZCIZTCE-ABZNLYFFSA-N 1 2 261.325 0.807 20 30 CCEDLO CO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000516774509 333082116 /nfs/dbraw/zinc/08/21/16/333082116.db2.gz TZMARBUMHYPHGS-YPMHNXCESA-N 1 2 279.344 0.068 20 30 CCEDLO CO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000516774506 333082236 /nfs/dbraw/zinc/08/22/36/333082236.db2.gz TZMARBUMHYPHGS-AAEUAGOBSA-N 1 2 279.344 0.068 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000184441857 333128735 /nfs/dbraw/zinc/12/87/35/333128735.db2.gz QHILCSNIKYCUCW-ZIAGYGMSSA-N 1 2 284.400 0.740 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000074171284 333990710 /nfs/dbraw/zinc/99/07/10/333990710.db2.gz SLDGPDLZCCMBIQ-UHFFFAOYSA-N 1 2 277.328 0.616 20 30 CCEDLO N#C[C@@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCOC1 ZINC000547813322 334121416 /nfs/dbraw/zinc/12/14/16/334121416.db2.gz CLQOEVRWZYZXGB-ZDUSSCGKSA-N 1 2 256.265 0.747 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246178023 334238841 /nfs/dbraw/zinc/23/88/41/334238841.db2.gz WAGUVJPXWFLENZ-RKDXNWHRSA-N 1 2 281.278 0.602 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246178023 334238840 /nfs/dbraw/zinc/23/88/40/334238840.db2.gz WAGUVJPXWFLENZ-RKDXNWHRSA-N 1 2 281.278 0.602 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551851495 334264115 /nfs/dbraw/zinc/26/41/15/334264115.db2.gz UFYAFFUQAFYDCF-UHFFFAOYSA-N 1 2 278.356 0.862 20 30 CCEDLO N#CC1(NC(=O)Cn2cc[nH+]c2)CCSCC1 ZINC000555634606 334485528 /nfs/dbraw/zinc/48/55/28/334485528.db2.gz MOGLXNSXSPPZJU-UHFFFAOYSA-N 1 2 250.327 0.789 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN1CCCCCC1=O ZINC000572846146 334883822 /nfs/dbraw/zinc/88/38/22/334883822.db2.gz PRMNKFAYYOOUDB-AWEZNQCLSA-N 1 2 280.372 0.349 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000576512246 335212990 /nfs/dbraw/zinc/21/29/90/335212990.db2.gz RPFPQRALNPNHSS-KBPBESRZSA-N 1 2 294.395 0.949 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cc(Cl)cn1 ZINC000577615560 335378458 /nfs/dbraw/zinc/37/84/58/335378458.db2.gz QTQCKFNBVRCXNY-NSHDSACASA-N 1 2 269.736 0.497 20 30 CCEDLO COCCNS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000577621810 335380219 /nfs/dbraw/zinc/38/02/19/335380219.db2.gz FDUPZISOHTWINZ-UHFFFAOYSA-N 1 2 297.380 0.615 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2ccccn2c1=O ZINC000577956322 335437772 /nfs/dbraw/zinc/43/77/72/335437772.db2.gz YJFXWHXAVIHQSN-OAHLLOKOSA-N 1 2 299.334 0.268 20 30 CCEDLO N#Cc1nc(NC(=O)CC2CC[NH2+]CC2)[nH]c1C#N ZINC000578985993 335695959 /nfs/dbraw/zinc/69/59/59/335695959.db2.gz KKMRCUKQCUHAQB-UHFFFAOYSA-N 1 2 258.285 0.481 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162620 534215082 /nfs/dbraw/zinc/21/50/82/534215082.db2.gz IDHKPVHHNFJQMH-XTZNXHDOSA-N 1 2 271.386 0.248 20 30 CCEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162620 534215085 /nfs/dbraw/zinc/21/50/85/534215085.db2.gz IDHKPVHHNFJQMH-XTZNXHDOSA-N 1 2 271.386 0.248 20 30 CCEDLO C=CCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000665941974 545110315 /nfs/dbraw/zinc/11/03/15/545110315.db2.gz AMSXCVZRDJKESA-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348096013 526604871 /nfs/dbraw/zinc/60/48/71/526604871.db2.gz NYSNUDKGMALUFH-HTQZYQBOSA-N 1 2 281.316 0.429 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000666431510 545122714 /nfs/dbraw/zinc/12/27/14/545122714.db2.gz UGFOIIKWDCPTMM-HNNXBMFYSA-N 1 2 293.367 0.873 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354580150 527556750 /nfs/dbraw/zinc/55/67/50/527556750.db2.gz WINWCRXXGRJRIF-UHFFFAOYSA-N 1 2 272.308 0.595 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000668565074 545181864 /nfs/dbraw/zinc/18/18/64/545181864.db2.gz YIDKUUMUAUTKMJ-QWHCGFSZSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000674264200 545302018 /nfs/dbraw/zinc/30/20/18/545302018.db2.gz SGCUTAODLXUONT-QWRGUYRKSA-N 1 2 274.386 0.138 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000677046653 545357007 /nfs/dbraw/zinc/35/70/07/545357007.db2.gz FOKVOLAXFLXZTQ-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000677046653 545357008 /nfs/dbraw/zinc/35/70/08/545357008.db2.gz FOKVOLAXFLXZTQ-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(CC#CCOC)CC1 ZINC000677132759 545358097 /nfs/dbraw/zinc/35/80/97/545358097.db2.gz QCNBXRDEXCLHOP-UHFFFAOYSA-N 1 2 281.400 0.122 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000678890434 545399402 /nfs/dbraw/zinc/39/94/02/545399402.db2.gz GGFORTPOOODZDV-CYBMUJFWSA-N 1 2 279.388 0.558 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000680583624 545432682 /nfs/dbraw/zinc/43/26/82/545432682.db2.gz VGURSVGZKRTHNR-UHFFFAOYSA-N 1 2 264.304 0.388 20 30 CCEDLO CC#CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000788275643 581103301 /nfs/dbraw/zinc/10/33/01/581103301.db2.gz IAZNBMCMAHXSSS-UHFFFAOYSA-N 1 2 259.309 0.558 20 30 CCEDLO CCCN1C(=O)C(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779880208 581115992 /nfs/dbraw/zinc/11/59/92/581115992.db2.gz XQQXACVGZRUGEA-UHFFFAOYSA-N 1 2 292.339 0.770 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CC3OCCO3)CC2)c1 ZINC000777554215 581120142 /nfs/dbraw/zinc/12/01/42/581120142.db2.gz CQPGPRKNMMHEJW-UHFFFAOYSA-N 1 2 274.324 0.448 20 30 CCEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)NCCC#N)CCO1 ZINC000790426050 581186981 /nfs/dbraw/zinc/18/69/81/581186981.db2.gz FABDPMRNLXKJST-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)NCCC#N)CCO1 ZINC000790426050 581186982 /nfs/dbraw/zinc/18/69/82/581186982.db2.gz FABDPMRNLXKJST-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1 ZINC000779562469 581191698 /nfs/dbraw/zinc/19/16/98/581191698.db2.gz JRNJTPGKLKLCBC-CYBMUJFWSA-N 1 2 298.302 0.726 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc([N+](=O)[O-])c(O)c2)N1 ZINC000779802280 581206871 /nfs/dbraw/zinc/20/68/71/581206871.db2.gz FHMQJYSBRQSOLF-ZETCQYMHSA-N 1 2 263.257 0.572 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253978 581233382 /nfs/dbraw/zinc/23/33/82/581233382.db2.gz OUJDUDXNYAQPKA-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253978 581233387 /nfs/dbraw/zinc/23/33/87/581233387.db2.gz OUJDUDXNYAQPKA-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000780690793 581240129 /nfs/dbraw/zinc/24/01/29/581240129.db2.gz RKOXLPJWJFIFLQ-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780849095 581246152 /nfs/dbraw/zinc/24/61/52/581246152.db2.gz IPPGTZCQGGUQNB-CYBMUJFWSA-N 1 2 259.309 0.366 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000792220970 581253270 /nfs/dbraw/zinc/25/32/70/581253270.db2.gz ZABDMGJMMSHNSB-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000749928949 581311504 /nfs/dbraw/zinc/31/15/04/581311504.db2.gz AAGWBFBMVHLIAH-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO C=CCN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000783046470 581334875 /nfs/dbraw/zinc/33/48/75/581334875.db2.gz QSRGKEYCBXOWHM-UHFFFAOYSA-N 1 2 285.307 0.850 20 30 CCEDLO CCN(CCC#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979016 581369876 /nfs/dbraw/zinc/36/98/76/581369876.db2.gz VKLXLQUXLPMESQ-GFCCVEGCSA-N 1 2 275.356 0.929 20 30 CCEDLO C#CCOCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000784550273 581388344 /nfs/dbraw/zinc/38/83/44/581388344.db2.gz OCGCZWQKNUZNNK-UHFFFAOYSA-N 1 2 272.308 0.783 20 30 CCEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000784849564 581396129 /nfs/dbraw/zinc/39/61/29/581396129.db2.gz HZCGROSXSDVTIY-SECBINFHSA-N 1 2 284.319 0.958 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000786159041 581432597 /nfs/dbraw/zinc/43/25/97/581432597.db2.gz KNPGQQRUMWQSGM-SFHVURJKSA-N 1 2 298.386 0.684 20 30 CCEDLO Cc1ccc(C[N@H+](CCO)CC(=O)NCCC#N)o1 ZINC000796559128 581443678 /nfs/dbraw/zinc/44/36/78/581443678.db2.gz KUVHLYQCZMQKQO-UHFFFAOYSA-N 1 2 265.313 0.412 20 30 CCEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)NCCC#N)o1 ZINC000796559128 581443679 /nfs/dbraw/zinc/44/36/79/581443679.db2.gz KUVHLYQCZMQKQO-UHFFFAOYSA-N 1 2 265.313 0.412 20 30 CCEDLO N#CCn1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000786850354 581450497 /nfs/dbraw/zinc/45/04/97/581450497.db2.gz OIPSDMWDUDGRTG-JTQLQIEISA-N 1 2 270.296 0.804 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000797526010 581467878 /nfs/dbraw/zinc/46/78/78/581467878.db2.gz HCNIXKVWSUIGHK-YDHLFZDLSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000797526010 581467879 /nfs/dbraw/zinc/46/78/79/581467879.db2.gz HCNIXKVWSUIGHK-YDHLFZDLSA-N 1 2 280.368 0.394 20 30 CCEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714923 581475961 /nfs/dbraw/zinc/47/59/61/581475961.db2.gz RDFTXSRNUQWGBY-RYUDHWBXSA-N 1 2 293.367 0.965 20 30 CCEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714923 581475962 /nfs/dbraw/zinc/47/59/62/581475962.db2.gz RDFTXSRNUQWGBY-RYUDHWBXSA-N 1 2 293.367 0.965 20 30 CCEDLO CCS(=O)(=O)CC(C)=NNCC[NH+]1CCCCC1 ZINC000733747525 581523425 /nfs/dbraw/zinc/52/34/25/581523425.db2.gz RUPPCWNOAAGBCH-UHFFFAOYSA-N 1 2 275.418 0.873 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCCC1 ZINC000733978009 581533722 /nfs/dbraw/zinc/53/37/22/581533722.db2.gz USWGYCDNEBJWNX-LBPRGKRZSA-N 1 2 250.342 0.505 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCCC1 ZINC000733978009 581533724 /nfs/dbraw/zinc/53/37/24/581533724.db2.gz USWGYCDNEBJWNX-LBPRGKRZSA-N 1 2 250.342 0.505 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)CCN1CC(F)F ZINC000766266370 581560650 /nfs/dbraw/zinc/56/06/50/581560650.db2.gz AROUKONKCMDBBX-LLVKDONJSA-N 1 2 288.342 0.678 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)CCN1CC(F)F ZINC000766266370 581560652 /nfs/dbraw/zinc/56/06/52/581560652.db2.gz AROUKONKCMDBBX-LLVKDONJSA-N 1 2 288.342 0.678 20 30 CCEDLO COCCOCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936534 581565760 /nfs/dbraw/zinc/56/57/60/581565760.db2.gz VSTYQJGIZWGDFF-VXGBXAGGSA-N 1 2 268.361 0.885 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000729979326 581627098 /nfs/dbraw/zinc/62/70/98/581627098.db2.gz GRHPKMLYVJNUJE-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(CC#N)CC2)C1(F)F ZINC000787771961 581641876 /nfs/dbraw/zinc/64/18/76/581641876.db2.gz ADEVMJBBOFSJMU-NXEZZACHSA-N 1 2 273.283 0.182 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000730097466 581645241 /nfs/dbraw/zinc/64/52/41/581645241.db2.gz ZLSBLZZOPPSRLO-ZDUSSCGKSA-N 1 2 289.310 0.961 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000730097466 581645246 /nfs/dbraw/zinc/64/52/46/581645246.db2.gz ZLSBLZZOPPSRLO-ZDUSSCGKSA-N 1 2 289.310 0.961 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000730097475 581645768 /nfs/dbraw/zinc/64/57/68/581645768.db2.gz AELFGDPLBPIQTI-ZDUSSCGKSA-N 1 2 289.335 0.110 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000730097475 581645769 /nfs/dbraw/zinc/64/57/69/581645769.db2.gz AELFGDPLBPIQTI-ZDUSSCGKSA-N 1 2 289.335 0.110 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000769099312 581671928 /nfs/dbraw/zinc/67/19/28/581671928.db2.gz QUCAZSNGUXQADO-UHFFFAOYSA-N 1 2 294.278 0.369 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000740480500 581684813 /nfs/dbraw/zinc/68/48/13/581684813.db2.gz XHANDBGCUKSFCF-GFCCVEGCSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000740480500 581684816 /nfs/dbraw/zinc/68/48/16/581684816.db2.gz XHANDBGCUKSFCF-GFCCVEGCSA-N 1 2 285.413 0.373 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000769480194 581691915 /nfs/dbraw/zinc/69/19/15/581691915.db2.gz LUDDUXGQIKFRCC-IBGZPJMESA-N 1 2 281.381 0.647 20 30 CCEDLO COCC#CC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000757660573 581705661 /nfs/dbraw/zinc/70/56/61/581705661.db2.gz GVZYPLWGWNYJCF-GFCCVEGCSA-N 1 2 267.398 0.745 20 30 CCEDLO COCC#CCN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000757660573 581705663 /nfs/dbraw/zinc/70/56/63/581705663.db2.gz GVZYPLWGWNYJCF-GFCCVEGCSA-N 1 2 267.398 0.745 20 30 CCEDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758198053 581726186 /nfs/dbraw/zinc/72/61/86/581726186.db2.gz QWSYZTOFVFCVHI-CYBMUJFWSA-N 1 2 288.351 0.526 20 30 CCEDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758198053 581726189 /nfs/dbraw/zinc/72/61/89/581726189.db2.gz QWSYZTOFVFCVHI-CYBMUJFWSA-N 1 2 288.351 0.526 20 30 CCEDLO CC(=O)NC[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758198054 581726223 /nfs/dbraw/zinc/72/62/23/581726223.db2.gz QWSYZTOFVFCVHI-ZDUSSCGKSA-N 1 2 288.351 0.526 20 30 CCEDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758198054 581726225 /nfs/dbraw/zinc/72/62/25/581726225.db2.gz QWSYZTOFVFCVHI-ZDUSSCGKSA-N 1 2 288.351 0.526 20 30 CCEDLO C#CCCCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000758309763 581736381 /nfs/dbraw/zinc/73/63/81/581736381.db2.gz ZTXHDLJHTOWTEX-UHFFFAOYSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000741715850 581760351 /nfs/dbraw/zinc/76/03/51/581760351.db2.gz OYNKKPQSPQQJJH-SNVBAGLBSA-N 1 2 257.297 0.129 20 30 CCEDLO CCOc1ccc(/C=[NH+]/CCc2nnnn2C)c(O)c1 ZINC000771522020 581806110 /nfs/dbraw/zinc/80/61/10/581806110.db2.gz XAXWXEKSIPKXEQ-NTEUORMPSA-N 1 2 275.312 0.976 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000759754350 581819845 /nfs/dbraw/zinc/81/98/45/581819845.db2.gz LSOBLODMXMVFQV-MRXNPFEDSA-N 1 2 272.348 0.983 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000759754350 581819848 /nfs/dbraw/zinc/81/98/48/581819848.db2.gz LSOBLODMXMVFQV-MRXNPFEDSA-N 1 2 272.348 0.983 20 30 CCEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CC(O)C1 ZINC000759873318 581829255 /nfs/dbraw/zinc/82/92/55/581829255.db2.gz KAJQPUAPJAQSHI-UHFFFAOYSA-N 1 2 298.346 0.875 20 30 CCEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CC(O)C1 ZINC000759873318 581829258 /nfs/dbraw/zinc/82/92/58/581829258.db2.gz KAJQPUAPJAQSHI-UHFFFAOYSA-N 1 2 298.346 0.875 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000733355407 581902503 /nfs/dbraw/zinc/90/25/03/581902503.db2.gz DNZVCAOPALAWCE-GFCCVEGCSA-N 1 2 292.383 0.004 20 30 CCEDLO CN1CCC(=NNc2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000761844466 581921963 /nfs/dbraw/zinc/92/19/63/581921963.db2.gz ADLFMFDSVJAQRJ-UHFFFAOYSA-N 1 2 271.284 0.292 20 30 CCEDLO C=CCCOCCNC(=S)NCC[NH+]1CCOCC1 ZINC000756851962 581936845 /nfs/dbraw/zinc/93/68/45/581936845.db2.gz NNKRJTNGQGHVNG-UHFFFAOYSA-N 1 2 287.429 0.375 20 30 CCEDLO C#Cc1ccc(C(=O)NCCc2c[nH+]cn2C)nc1 ZINC000773827755 581943302 /nfs/dbraw/zinc/94/33/02/581943302.db2.gz WGKAPCINAAPMBU-UHFFFAOYSA-N 1 2 254.293 0.769 20 30 CCEDLO C=CCN1C(=O)C(=O)N(Cc2cc[nH+]c(N(C)C)c2)C1=O ZINC000762467372 581945863 /nfs/dbraw/zinc/94/58/63/581945863.db2.gz DMIJRXCAQXPRRO-UHFFFAOYSA-N 1 2 288.307 0.624 20 30 CCEDLO CC(C)C1(O)C[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000773892081 581946147 /nfs/dbraw/zinc/94/61/47/581946147.db2.gz DYXZVKSMXFMKJS-UHFFFAOYSA-N 1 2 287.363 0.877 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000764033036 582028157 /nfs/dbraw/zinc/02/81/57/582028157.db2.gz PYPCEEAUYUHDDL-STQMWFEESA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000764033036 582028160 /nfs/dbraw/zinc/02/81/60/582028160.db2.gz PYPCEEAUYUHDDL-STQMWFEESA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COC)C1CC1 ZINC000750163591 582036763 /nfs/dbraw/zinc/03/67/63/582036763.db2.gz AJYDROCCULRNAQ-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)C1CC1 ZINC000750163591 582036766 /nfs/dbraw/zinc/03/67/66/582036766.db2.gz AJYDROCCULRNAQ-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@@H]([NH2+]CC(=O)Nc1cc(C)no1)[C@H]1CCCO1 ZINC000775799552 582040128 /nfs/dbraw/zinc/04/01/28/582040128.db2.gz NRMCXVRCQBPQLG-GHMZBOCLSA-N 1 2 263.297 0.692 20 30 CCEDLO Cc1cc[nH+]cc1CCC=NNC(=S)NCC(N)=O ZINC000776730333 582087685 /nfs/dbraw/zinc/08/76/85/582087685.db2.gz SEUQARNRDGPOOA-UHFFFAOYSA-N 1 2 279.369 0.258 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000851911091 612984835 /nfs/dbraw/zinc/98/48/35/612984835.db2.gz URPFIRKCGOTZIU-RYUDHWBXSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000851911091 612984837 /nfs/dbraw/zinc/98/48/37/612984837.db2.gz URPFIRKCGOTZIU-RYUDHWBXSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000879156815 612985153 /nfs/dbraw/zinc/98/51/53/612985153.db2.gz YLRRIGDEKTUQKK-YPMHNXCESA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000879156815 612985154 /nfs/dbraw/zinc/98/51/54/612985154.db2.gz YLRRIGDEKTUQKK-YPMHNXCESA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cnccn1 ZINC000852749625 612989040 /nfs/dbraw/zinc/98/90/40/612989040.db2.gz AYGUKBXFTVFNCG-UHFFFAOYSA-N 1 2 262.313 0.387 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cnccn1 ZINC000852749625 612989042 /nfs/dbraw/zinc/98/90/42/612989042.db2.gz AYGUKBXFTVFNCG-UHFFFAOYSA-N 1 2 262.313 0.387 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000883274852 612947151 /nfs/dbraw/zinc/94/71/51/612947151.db2.gz XBDAZHCNQWAXOH-UHFFFAOYSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000883274852 612947153 /nfs/dbraw/zinc/94/71/53/612947153.db2.gz XBDAZHCNQWAXOH-UHFFFAOYSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043164 612948093 /nfs/dbraw/zinc/94/80/93/612948093.db2.gz FTOIIAFSQNPCPA-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043164 612948094 /nfs/dbraw/zinc/94/80/94/612948094.db2.gz FTOIIAFSQNPCPA-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CC1(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000883118288 612949930 /nfs/dbraw/zinc/94/99/30/612949930.db2.gz SFSNGURWHISGSU-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870398 612950475 /nfs/dbraw/zinc/95/04/75/612950475.db2.gz XMAIHLGJSLWUMQ-SLEUVZQESA-N 1 2 298.358 0.738 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870398 612950477 /nfs/dbraw/zinc/95/04/77/612950477.db2.gz XMAIHLGJSLWUMQ-SLEUVZQESA-N 1 2 298.358 0.738 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845378 606890911 /nfs/dbraw/zinc/89/09/11/606890911.db2.gz SZBMZZSFSHSPBX-ZWNOBZJWSA-N 1 2 286.339 0.992 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845378 606890912 /nfs/dbraw/zinc/89/09/12/606890912.db2.gz SZBMZZSFSHSPBX-ZWNOBZJWSA-N 1 2 286.339 0.992 20 30 CCEDLO C#CCN(CC#C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900905719 613098356 /nfs/dbraw/zinc/09/83/56/613098356.db2.gz AMBOVVYJTHPNMO-OWBHPGMISA-N 1 2 260.337 0.360 20 30 CCEDLO C#CC[N@@H+](CCCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000859188190 613107543 /nfs/dbraw/zinc/10/75/43/613107543.db2.gz GIELHEQSICYEBR-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@H+](CCCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000859188190 613107544 /nfs/dbraw/zinc/10/75/44/613107544.db2.gz GIELHEQSICYEBR-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000900665774 612967520 /nfs/dbraw/zinc/96/75/20/612967520.db2.gz AEDJLDPHRWTBPL-HNNXBMFYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845940314 612985648 /nfs/dbraw/zinc/98/56/48/612985648.db2.gz DTVWKKZQNSTVPS-UHFFFAOYSA-N 1 2 261.325 0.528 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000853016020 612988041 /nfs/dbraw/zinc/98/80/41/612988041.db2.gz KAMASUXMBJORBO-CYBMUJFWSA-N 1 2 278.356 0.953 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(C)n[nH]c1C ZINC000852753105 612988952 /nfs/dbraw/zinc/98/89/52/612988952.db2.gz XMVIIVAPKOIORH-UHFFFAOYSA-N 1 2 278.356 0.937 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(C)n[nH]c1C ZINC000852753105 612988953 /nfs/dbraw/zinc/98/89/53/612988953.db2.gz XMVIIVAPKOIORH-UHFFFAOYSA-N 1 2 278.356 0.937 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000851935941 612989967 /nfs/dbraw/zinc/98/99/67/612989967.db2.gz UCVZPWSSPBUNRM-ZDUSSCGKSA-N 1 2 269.341 0.584 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OC)nn2)C1 ZINC000957095754 612992118 /nfs/dbraw/zinc/99/21/18/612992118.db2.gz OLCIJGNXBCONHF-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CC)n2)C1 ZINC000950023371 612993085 /nfs/dbraw/zinc/99/30/85/612993085.db2.gz GHJKICGWZRMTKS-UHFFFAOYSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nc(C)c[nH]2)C1 ZINC000952434694 612993360 /nfs/dbraw/zinc/99/33/60/612993360.db2.gz TYSXVGJWBIANHI-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC000949844382 613009926 /nfs/dbraw/zinc/00/99/26/613009926.db2.gz HQHOVRLGQPGFAA-CYBMUJFWSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CCSCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913474653 613010197 /nfs/dbraw/zinc/01/01/97/613010197.db2.gz FDOPWVWYKUNHTG-LBPRGKRZSA-N 1 2 278.381 0.259 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2coc(OC)n2)CC1 ZINC000949504729 613010986 /nfs/dbraw/zinc/01/09/86/613010986.db2.gz VSBYSKKDDCSIRJ-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2csc(CO)n2)CC1 ZINC000865086025 613011211 /nfs/dbraw/zinc/01/12/11/613011211.db2.gz UJQLTUZGMABYFT-UHFFFAOYSA-N 1 2 279.365 0.417 20 30 CCEDLO C#CCSCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804172415 613015208 /nfs/dbraw/zinc/01/52/08/613015208.db2.gz DQCMLHCJVIENEY-JTQLQIEISA-N 1 2 278.337 0.239 20 30 CCEDLO C#CCSCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804172415 613015210 /nfs/dbraw/zinc/01/52/10/613015210.db2.gz DQCMLHCJVIENEY-JTQLQIEISA-N 1 2 278.337 0.239 20 30 CCEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000834532858 613043941 /nfs/dbraw/zinc/04/39/41/613043941.db2.gz DMHMQOCZVRDBHD-CYBMUJFWSA-N 1 2 288.351 0.261 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000858373579 613064642 /nfs/dbraw/zinc/06/46/42/613064642.db2.gz JVKNLAGRPJMTMY-VXGBXAGGSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000862566103 613073958 /nfs/dbraw/zinc/07/39/58/613073958.db2.gz IBSBEWZZABPSQV-KGLIPLIRSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000927382467 613075510 /nfs/dbraw/zinc/07/55/10/613075510.db2.gz WURPPDAFHNOMNG-LLVKDONJSA-N 1 2 260.297 0.607 20 30 CCEDLO C#CC[C@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000927461156 613076064 /nfs/dbraw/zinc/07/60/64/613076064.db2.gz JSQSKMRNVDNFRR-LLVKDONJSA-N 1 2 272.308 0.663 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000971674015 613083018 /nfs/dbraw/zinc/08/30/18/613083018.db2.gz MNOWFGBMULVKIK-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000971674015 613083019 /nfs/dbraw/zinc/08/30/19/613083019.db2.gz MNOWFGBMULVKIK-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)[C@@H]1CCCO1 ZINC000828952532 613099875 /nfs/dbraw/zinc/09/98/75/613099875.db2.gz ABEWSDJVKKWXIA-KGLIPLIRSA-N 1 2 260.341 0.959 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000847305207 613104470 /nfs/dbraw/zinc/10/44/70/613104470.db2.gz IFIJFEGBMOOULQ-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000847305207 613104471 /nfs/dbraw/zinc/10/44/71/613104471.db2.gz IFIJFEGBMOOULQ-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000852100921 613113130 /nfs/dbraw/zinc/11/31/30/613113130.db2.gz KUXMYKGBXSABQQ-ZANVPECISA-N 1 2 262.361 0.972 20 30 CCEDLO C#C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000820412742 613115240 /nfs/dbraw/zinc/11/52/40/613115240.db2.gz PCMRUZQPNOCLJR-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC000941523243 613115466 /nfs/dbraw/zinc/11/54/66/613115466.db2.gz ACWFHVRKRAUJDE-CQSZACIVSA-N 1 2 281.375 0.442 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000941292747 613115741 /nfs/dbraw/zinc/11/57/41/613115741.db2.gz NDXWNRNJDUPTBD-OCCSQVGLSA-N 1 2 261.369 0.104 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccns3)CC2)C1 ZINC000941428156 613116080 /nfs/dbraw/zinc/11/60/80/613116080.db2.gz LIUNOYWHEUIKHI-UHFFFAOYSA-N 1 2 290.392 0.218 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000820394442 613117426 /nfs/dbraw/zinc/11/74/26/613117426.db2.gz KTQZNXTWAWAPOU-SRVKXCTJSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000820394442 613117427 /nfs/dbraw/zinc/11/74/27/613117427.db2.gz KTQZNXTWAWAPOU-SRVKXCTJSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(C)C ZINC000868022052 613131481 /nfs/dbraw/zinc/13/14/81/613131481.db2.gz WBICLGWTZUUSLS-SZZPACECSA-N 1 2 250.342 0.649 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CS(=O)(=O)C2(C)C)CC1 ZINC000880392358 613131841 /nfs/dbraw/zinc/13/18/41/613131841.db2.gz FMHROVFPGXEIKZ-LBPRGKRZSA-N 1 2 298.408 0.023 20 30 CCEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCOCC1 ZINC000856102243 613133095 /nfs/dbraw/zinc/13/30/95/613133095.db2.gz AFQYHLHZUCBNRL-ZDUSSCGKSA-N 1 2 261.325 0.887 20 30 CCEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCOCC1 ZINC000856102243 613133096 /nfs/dbraw/zinc/13/30/96/613133096.db2.gz AFQYHLHZUCBNRL-ZDUSSCGKSA-N 1 2 261.325 0.887 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC000980764436 613159890 /nfs/dbraw/zinc/15/98/90/613159890.db2.gz IKIWJWLZLNFZEO-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC000980764436 613159891 /nfs/dbraw/zinc/15/98/91/613159891.db2.gz IKIWJWLZLNFZEO-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000811933560 613174741 /nfs/dbraw/zinc/17/47/41/613174741.db2.gz DITZTZAEPNEUBG-UHFFFAOYSA-N 1 2 252.277 0.915 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000803514394 613175328 /nfs/dbraw/zinc/17/53/28/613175328.db2.gz DKPVBRLMNYMAPS-HIFRSBDPSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000840526440 613176947 /nfs/dbraw/zinc/17/69/47/613176947.db2.gz WPIWOOUAAVUSFK-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](CC)C[NH+]2CCOCC2)nc1 ZINC000928640266 613188295 /nfs/dbraw/zinc/18/82/95/613188295.db2.gz NVBWFQGBPOIWEY-CQSZACIVSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCC=C)C1 ZINC000885509070 613192867 /nfs/dbraw/zinc/19/28/67/613192867.db2.gz OYGWPGORPUXKBW-ZDUSSCGKSA-N 1 2 270.398 0.970 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCC=C)C1 ZINC000885509070 613192868 /nfs/dbraw/zinc/19/28/68/613192868.db2.gz OYGWPGORPUXKBW-ZDUSSCGKSA-N 1 2 270.398 0.970 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN=S1(=O)CCCC1 ZINC000898427800 613198535 /nfs/dbraw/zinc/19/85/35/613198535.db2.gz RQAMHOTWIYCSGO-ZDUSSCGKSA-N 1 2 297.424 0.462 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN=S1(=O)CCCC1 ZINC000898427800 613198537 /nfs/dbraw/zinc/19/85/37/613198537.db2.gz RQAMHOTWIYCSGO-ZDUSSCGKSA-N 1 2 297.424 0.462 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC1CC1)C(=O)OCC ZINC000832645899 613200528 /nfs/dbraw/zinc/20/05/28/613200528.db2.gz MZUPYNVNGGDCDK-KBPBESRZSA-N 1 2 292.379 0.932 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC1CC1)C(=O)OCC ZINC000832645899 613200529 /nfs/dbraw/zinc/20/05/29/613200529.db2.gz MZUPYNVNGGDCDK-KBPBESRZSA-N 1 2 292.379 0.932 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(C(N)=O)o2)CC1 ZINC000827519009 613204395 /nfs/dbraw/zinc/20/43/95/613204395.db2.gz HNQJAGMAVUQFQN-GQCTYLIASA-N 1 2 287.319 0.169 20 30 CCEDLO C#CC[NH+]1CCN(c2c(CC)c(C)nc3ncnn32)CC1 ZINC000891679446 613209626 /nfs/dbraw/zinc/20/96/26/613209626.db2.gz VLLJYEYIBYSUFA-UHFFFAOYSA-N 1 2 284.367 0.750 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 ZINC000949307397 613210435 /nfs/dbraw/zinc/21/04/35/613210435.db2.gz MTLSEPKFYNDIEE-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 ZINC000949307397 613210437 /nfs/dbraw/zinc/21/04/37/613210437.db2.gz MTLSEPKFYNDIEE-UHFFFAOYSA-N 1 2 289.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972362799 613211478 /nfs/dbraw/zinc/21/14/78/613211478.db2.gz UIXUZQKXOXMBHI-HOCLYGCPSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972362799 613211480 /nfs/dbraw/zinc/21/14/80/613211480.db2.gz UIXUZQKXOXMBHI-HOCLYGCPSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972244382 613212215 /nfs/dbraw/zinc/21/22/15/613212215.db2.gz WNMNAWCXVHXVMG-DZGCQCFKSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972244382 613212218 /nfs/dbraw/zinc/21/22/18/613212218.db2.gz WNMNAWCXVHXVMG-DZGCQCFKSA-N 1 2 278.352 0.102 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC000957334108 613295530 /nfs/dbraw/zinc/29/55/30/613295530.db2.gz MTBGEMLFNXAMKJ-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC000957929644 613322292 /nfs/dbraw/zinc/32/22/92/613322292.db2.gz ACUYROMYNHEABZ-UHFFFAOYSA-N 1 2 277.372 0.940 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000815061855 613323801 /nfs/dbraw/zinc/32/38/01/613323801.db2.gz JXMUCWAAFDSPPW-LBPRGKRZSA-N 1 2 284.356 0.024 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@@H](COC(C)C)C(=O)OC ZINC000815061855 613323803 /nfs/dbraw/zinc/32/38/03/613323803.db2.gz JXMUCWAAFDSPPW-LBPRGKRZSA-N 1 2 284.356 0.024 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCCC)CC1 ZINC000858995039 613328426 /nfs/dbraw/zinc/32/84/26/613328426.db2.gz KTRRBEQOFATZGL-UHFFFAOYSA-N 1 2 281.356 0.290 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCCC)CC1 ZINC000858995039 613328428 /nfs/dbraw/zinc/32/84/28/613328428.db2.gz KTRRBEQOFATZGL-UHFFFAOYSA-N 1 2 281.356 0.290 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OCC ZINC000881754631 613355801 /nfs/dbraw/zinc/35/58/01/613355801.db2.gz SUFWXFXTOANZQB-GFCCVEGCSA-N 1 2 279.340 0.977 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000849961509 613359786 /nfs/dbraw/zinc/35/97/86/613359786.db2.gz KSIOUJOGAHRMLT-OCCSQVGLSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C[NH+](C)C)C(=O)NCc1n[nH]c(=O)n1C1CC1 ZINC000912009878 613366701 /nfs/dbraw/zinc/36/67/01/613366701.db2.gz BLIICSTYVSLEGQ-UHFFFAOYSA-N 1 2 265.317 0.053 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958498902 613380150 /nfs/dbraw/zinc/38/01/50/613380150.db2.gz IYFXCKFXDNXYEB-WDEREUQCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958498902 613380151 /nfs/dbraw/zinc/38/01/51/613380151.db2.gz IYFXCKFXDNXYEB-WDEREUQCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289426 613380625 /nfs/dbraw/zinc/38/06/25/613380625.db2.gz VNMWBLCHRHMEHP-UWVGGRQHSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289426 613380626 /nfs/dbraw/zinc/38/06/26/613380626.db2.gz VNMWBLCHRHMEHP-UWVGGRQHSA-N 1 2 285.731 0.450 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000878106155 613396852 /nfs/dbraw/zinc/39/68/52/613396852.db2.gz IJSNHVRTCAEDJY-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000878106155 613396855 /nfs/dbraw/zinc/39/68/55/613396855.db2.gz IJSNHVRTCAEDJY-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000878106157 613397295 /nfs/dbraw/zinc/39/72/95/613397295.db2.gz IJSNHVRTCAEDJY-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000878106157 613397298 /nfs/dbraw/zinc/39/72/98/613397298.db2.gz IJSNHVRTCAEDJY-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C=C1CCC(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000895584599 613405057 /nfs/dbraw/zinc/40/50/57/613405057.db2.gz WPSUGWINYSNRIK-UHFFFAOYSA-N 1 2 252.358 0.869 20 30 CCEDLO C=CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)C(=O)OC ZINC000905848901 613405646 /nfs/dbraw/zinc/40/56/46/613405646.db2.gz BPMZMSGUCKVPLX-WDEREUQCSA-N 1 2 254.330 0.562 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000878662012 613410231 /nfs/dbraw/zinc/41/02/31/613410231.db2.gz KBEDLAYLEFRRGW-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC)C2)CC1 ZINC000970365718 613411457 /nfs/dbraw/zinc/41/14/57/613411457.db2.gz FSOVIKCIURLXSP-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000825129561 613416250 /nfs/dbraw/zinc/41/62/50/613416250.db2.gz VTJCWMRZDRPAER-OLZOCXBDSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCC(F)(F)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000815768106 613453600 /nfs/dbraw/zinc/45/36/00/613453600.db2.gz MOXAMJGEKDMVPO-NSHDSACASA-N 1 2 292.326 0.349 20 30 CCEDLO C=CCC(F)(F)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000815849322 613455156 /nfs/dbraw/zinc/45/51/56/613455156.db2.gz PMOMPAPBPONWDP-JTQLQIEISA-N 1 2 259.300 0.314 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854352799 613464818 /nfs/dbraw/zinc/46/48/18/613464818.db2.gz KPVNDACBHXORTF-CYBMUJFWSA-N 1 2 251.374 0.849 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854352799 613464819 /nfs/dbraw/zinc/46/48/19/613464819.db2.gz KPVNDACBHXORTF-CYBMUJFWSA-N 1 2 251.374 0.849 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)COCCO2 ZINC000880547549 613482087 /nfs/dbraw/zinc/48/20/87/613482087.db2.gz QFNMKYOYDZHBKK-LLVKDONJSA-N 1 2 255.314 0.595 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1c(Cl)ncnc1N(C)C ZINC000852714681 613492679 /nfs/dbraw/zinc/49/26/79/613492679.db2.gz YIYHFXZBSXRJEF-MRVPVSSYSA-N 1 2 256.737 0.833 20 30 CCEDLO CC#CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100088 613517292 /nfs/dbraw/zinc/51/72/92/613517292.db2.gz TYUKCESMDQCMJA-UHFFFAOYSA-N 1 2 257.337 0.792 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000981592843 613554907 /nfs/dbraw/zinc/55/49/07/613554907.db2.gz NFBHSJLCPVBTMB-UHFFFAOYSA-N 1 2 287.363 0.557 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC000981592843 613554911 /nfs/dbraw/zinc/55/49/11/613554911.db2.gz NFBHSJLCPVBTMB-UHFFFAOYSA-N 1 2 287.363 0.557 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972486022 613570819 /nfs/dbraw/zinc/57/08/19/613570819.db2.gz DFYPBGVLBRIHLK-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972486022 613570820 /nfs/dbraw/zinc/57/08/20/613570820.db2.gz DFYPBGVLBRIHLK-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972243180 613571209 /nfs/dbraw/zinc/57/12/09/613571209.db2.gz OWFDGZFIMWMTMP-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972243180 613571210 /nfs/dbraw/zinc/57/12/10/613571210.db2.gz OWFDGZFIMWMTMP-ZBFHGGJFSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972290199 613571233 /nfs/dbraw/zinc/57/12/33/613571233.db2.gz SQLIGFFFMSBLHO-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972290199 613571234 /nfs/dbraw/zinc/57/12/34/613571234.db2.gz SQLIGFFFMSBLHO-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874702564 613572152 /nfs/dbraw/zinc/57/21/52/613572152.db2.gz HOZTZBZQVFTKKN-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874702564 613572155 /nfs/dbraw/zinc/57/21/55/613572155.db2.gz HOZTZBZQVFTKKN-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884029 613579574 /nfs/dbraw/zinc/57/95/74/613579574.db2.gz OFXGUVGZVTYLMA-GHMZBOCLSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880338324 613586478 /nfs/dbraw/zinc/58/64/78/613586478.db2.gz CIUXAPRPVJXMHJ-CHWSQXEVSA-N 1 2 271.357 0.871 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887073651 613586575 /nfs/dbraw/zinc/58/65/75/613586575.db2.gz DHLDPGLAGATOTP-MNOVXSKESA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887073651 613586578 /nfs/dbraw/zinc/58/65/78/613586578.db2.gz DHLDPGLAGATOTP-MNOVXSKESA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC000854851420 613590083 /nfs/dbraw/zinc/59/00/83/613590083.db2.gz PKXJDMBNKONHLK-JTQLQIEISA-N 1 2 265.313 0.966 20 30 CCEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000121221074 613609666 /nfs/dbraw/zinc/60/96/66/613609666.db2.gz CSMFGTOKOLBIMW-VIFPVBQESA-N 1 2 267.329 0.623 20 30 CCEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000121221074 613609667 /nfs/dbraw/zinc/60/96/67/613609667.db2.gz CSMFGTOKOLBIMW-VIFPVBQESA-N 1 2 267.329 0.623 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nccc(C)n2)nn1 ZINC000881297017 613645207 /nfs/dbraw/zinc/64/52/07/613645207.db2.gz DGQGKKBCLLGBPC-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC000951125786 613654478 /nfs/dbraw/zinc/65/44/78/613654478.db2.gz DRYBSMKTTXNPGW-VXGBXAGGSA-N 1 2 265.357 0.217 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000950810046 613655431 /nfs/dbraw/zinc/65/54/31/613655431.db2.gz AHNTVDFIUPVGBR-LBPRGKRZSA-N 1 2 294.399 0.496 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970085038 613668940 /nfs/dbraw/zinc/66/89/40/613668940.db2.gz ZNVCPZUPTKHUJR-WDEREUQCSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000948948175 613711735 /nfs/dbraw/zinc/71/17/35/613711735.db2.gz GYSGCRURDPYLFL-CYBMUJFWSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000949280719 613716849 /nfs/dbraw/zinc/71/68/49/613716849.db2.gz GABGDXZTXILXHU-UHFFFAOYSA-N 1 2 272.312 0.068 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC000957829669 613716978 /nfs/dbraw/zinc/71/69/78/613716978.db2.gz QFGVMEROBASYLO-UHFFFAOYSA-N 1 2 274.324 0.124 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000948912038 613718344 /nfs/dbraw/zinc/71/83/44/613718344.db2.gz YENKHOYVDOBDEV-UHFFFAOYSA-N 1 2 298.346 0.638 20 30 CCEDLO C=CCN1CCN(C[N@@H+](CCOC)[C@H]2CCOC2)C1=O ZINC000840059261 613719777 /nfs/dbraw/zinc/71/97/77/613719777.db2.gz ITCQSJLQZGNDNG-ZDUSSCGKSA-N 1 2 283.372 0.605 20 30 CCEDLO C=CCN1CCN(C[N@H+](CCOC)[C@H]2CCOC2)C1=O ZINC000840059261 613719778 /nfs/dbraw/zinc/71/97/78/613719778.db2.gz ITCQSJLQZGNDNG-ZDUSSCGKSA-N 1 2 283.372 0.605 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nonc3C)C2)C1 ZINC000972700450 613724722 /nfs/dbraw/zinc/72/47/22/613724722.db2.gz YTBBUIOPTGHKMJ-AWEZNQCLSA-N 1 2 292.339 0.481 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nonc3C)C2)C1 ZINC000972700450 613724723 /nfs/dbraw/zinc/72/47/23/613724723.db2.gz YTBBUIOPTGHKMJ-AWEZNQCLSA-N 1 2 292.339 0.481 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972242269 613726448 /nfs/dbraw/zinc/72/64/48/613726448.db2.gz LREKDNIGQGILAC-UKRRQHHQSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972242269 613726450 /nfs/dbraw/zinc/72/64/50/613726450.db2.gz LREKDNIGQGILAC-UKRRQHHQSA-N 1 2 280.368 0.655 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972290866 613726797 /nfs/dbraw/zinc/72/67/97/613726797.db2.gz ILOIDHIZTHOTRJ-GOEBONIOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972290866 613726798 /nfs/dbraw/zinc/72/67/98/613726798.db2.gz ILOIDHIZTHOTRJ-GOEBONIOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3)C2)C1 ZINC000972354963 613727657 /nfs/dbraw/zinc/72/76/57/613727657.db2.gz ILJSBVIKAIFOIJ-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3)C2)C1 ZINC000972354963 613727659 /nfs/dbraw/zinc/72/76/59/613727659.db2.gz ILJSBVIKAIFOIJ-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230550 613736239 /nfs/dbraw/zinc/73/62/39/613736239.db2.gz FTRFZWBFUCJQER-GHMZBOCLSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230550 613736240 /nfs/dbraw/zinc/73/62/40/613736240.db2.gz FTRFZWBFUCJQER-GHMZBOCLSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C/C(=O)OCC)CC1 ZINC000929095437 613845589 /nfs/dbraw/zinc/84/55/89/613845589.db2.gz BBGHJZNTMVBGCR-AATRIKPKSA-N 1 2 295.383 0.026 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897321506 613846976 /nfs/dbraw/zinc/84/69/76/613846976.db2.gz QSTSKCQJAXSTKV-LBPRGKRZSA-N 1 2 291.355 0.208 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897321506 613846977 /nfs/dbraw/zinc/84/69/77/613846977.db2.gz QSTSKCQJAXSTKV-LBPRGKRZSA-N 1 2 291.355 0.208 20 30 CCEDLO C=CCNC(=O)Cc1noc([C@@]2(COC)CCCC[NH2+]2)n1 ZINC000872180483 613849133 /nfs/dbraw/zinc/84/91/33/613849133.db2.gz SLPWNINITMWLMB-AWEZNQCLSA-N 1 2 294.355 0.530 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000884075107 613877322 /nfs/dbraw/zinc/87/73/22/613877322.db2.gz MNZCOIWHMLLRJE-AAEUAGOBSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cscn1 ZINC000884201971 613877442 /nfs/dbraw/zinc/87/74/42/613877442.db2.gz MUCCJWIPVBDABI-JTQLQIEISA-N 1 2 283.353 0.548 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CC=C)C1 ZINC000884429791 613877881 /nfs/dbraw/zinc/87/78/81/613877881.db2.gz UBTBNURRMLXOLA-RYUDHWBXSA-N 1 2 266.341 0.858 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCS1 ZINC000884463975 613878192 /nfs/dbraw/zinc/87/81/92/613878192.db2.gz YNQYUFMLPGNQLD-QWRGUYRKSA-N 1 2 286.397 0.835 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCS[C@@H]1C ZINC000884380411 613878511 /nfs/dbraw/zinc/87/85/11/613878511.db2.gz CHUBHIJOZDJZDF-KXUCPTDWSA-N 1 2 272.370 0.443 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@@H]1CCCCO1 ZINC000884393099 613878664 /nfs/dbraw/zinc/87/86/64/613878664.db2.gz VEUQMFXSTMQKAP-AVGNSLFASA-N 1 2 298.383 0.897 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000884458480 613878710 /nfs/dbraw/zinc/87/87/10/613878710.db2.gz GBKGAFJQHICNJX-XWLWVQCSSA-N 1 2 270.329 0.115 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H]2C[C@@H]2C)no1 ZINC000904097516 613878996 /nfs/dbraw/zinc/87/89/96/613878996.db2.gz WWWWLUKQBSYRNA-CIUDSAMLSA-N 1 2 251.286 0.792 20 30 CCEDLO C=CCOCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907270489 613880493 /nfs/dbraw/zinc/88/04/93/613880493.db2.gz QEYXLYZAKTZBFC-ACCUITESSA-N 1 2 268.357 0.584 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([NH2+]CCC#N)C1 ZINC000843118867 613981462 /nfs/dbraw/zinc/98/14/62/613981462.db2.gz PUUIERSFFWFCKS-NXEZZACHSA-N 1 2 255.318 0.470 20 30 CCEDLO CC(C[C@H]1CCC(=O)N1)=NNCCCn1cc[nH+]c1 ZINC000848417254 614382137 /nfs/dbraw/zinc/38/21/37/614382137.db2.gz RGYASAAZYTVAKZ-GFCCVEGCSA-N 1 2 263.345 0.907 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000969457237 615003647 /nfs/dbraw/zinc/00/36/47/615003647.db2.gz MHJMQGADVGDBBK-KGLIPLIRSA-N 1 2 294.399 0.201 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000969457237 615003650 /nfs/dbraw/zinc/00/36/50/615003650.db2.gz MHJMQGADVGDBBK-KGLIPLIRSA-N 1 2 294.399 0.201 20 30 CCEDLO CCN1CC[C@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000853680037 615306755 /nfs/dbraw/zinc/30/67/55/615306755.db2.gz USWBDAMOGVJGRV-ZDUSSCGKSA-N 1 2 289.335 0.879 20 30 CCEDLO CCS(=O)(=O)CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651951 615533690 /nfs/dbraw/zinc/53/36/90/615533690.db2.gz QHUJLKSMVBKHPH-UHFFFAOYSA-N 1 2 287.381 0.759 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnn1C ZINC000872773831 615569484 /nfs/dbraw/zinc/56/94/84/615569484.db2.gz WXUUDTHYVKUUAE-GFCCVEGCSA-N 1 2 263.345 0.814 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnn1C ZINC000872773831 615569485 /nfs/dbraw/zinc/56/94/85/615569485.db2.gz WXUUDTHYVKUUAE-GFCCVEGCSA-N 1 2 263.345 0.814 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061226 615587926 /nfs/dbraw/zinc/58/79/26/615587926.db2.gz ILJLNQALRXWJRY-ZDUSSCGKSA-N 1 2 281.356 0.491 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061226 615587927 /nfs/dbraw/zinc/58/79/27/615587927.db2.gz ILJLNQALRXWJRY-ZDUSSCGKSA-N 1 2 281.356 0.491 20 30 CCEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCC(NCC#N)CC1 ZINC000964479089 615830434 /nfs/dbraw/zinc/83/04/34/615830434.db2.gz QDTJHUXHVXGNKM-UHFFFAOYSA-N 1 2 275.356 0.766 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1nnc2ccccc2c1O ZINC000913518173 615862660 /nfs/dbraw/zinc/86/26/60/615862660.db2.gz HDJHDTYZURCHTC-UHFFFAOYSA-N 1 2 284.319 0.630 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(C#N)ncn1 ZINC000872772926 615929917 /nfs/dbraw/zinc/92/99/17/615929917.db2.gz CNFGGUWBKNYFOY-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(C#N)ncn1 ZINC000872772926 615929918 /nfs/dbraw/zinc/92/99/18/615929918.db2.gz CNFGGUWBKNYFOY-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(C)c1[nH+]cc(CN=Nc2nc3ccccn3n2)n1C ZINC000811649803 616035627 /nfs/dbraw/zinc/03/56/27/616035627.db2.gz YAIFDHXZKYIZIZ-UHFFFAOYSA-N 1 2 284.327 0.975 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971997344 616041092 /nfs/dbraw/zinc/04/10/92/616041092.db2.gz LGLYDPKKUPHQSU-LBPRGKRZSA-N 1 2 275.356 0.409 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040522 616041183 /nfs/dbraw/zinc/04/11/83/616041183.db2.gz QZUFDAOOILJOCG-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H](CCO)C(F)(F)F ZINC000905493824 616067803 /nfs/dbraw/zinc/06/78/03/616067803.db2.gz ZDCPZKVHVLHESZ-ZJUUUORDSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](CCO)C(F)(F)F ZINC000905493824 616067804 /nfs/dbraw/zinc/06/78/04/616067804.db2.gz ZDCPZKVHVLHESZ-ZJUUUORDSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1cc(Cl)cc(C#N)c1 ZINC000931618683 616121375 /nfs/dbraw/zinc/12/13/75/616121375.db2.gz SKHSJQABVLWVHN-UHFFFAOYSA-N 1 2 287.772 0.932 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1cc(Cl)cc(C#N)c1 ZINC000931618683 616121376 /nfs/dbraw/zinc/12/13/76/616121376.db2.gz SKHSJQABVLWVHN-UHFFFAOYSA-N 1 2 287.772 0.932 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1CO ZINC000913544369 616229941 /nfs/dbraw/zinc/22/99/41/616229941.db2.gz CWOSKUANOYZPSV-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1CO ZINC000913544369 616229942 /nfs/dbraw/zinc/22/99/42/616229942.db2.gz CWOSKUANOYZPSV-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO CN1CCN(N=Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000853256012 616246248 /nfs/dbraw/zinc/24/62/48/616246248.db2.gz KQTYTVJRLFWFBS-UHFFFAOYSA-N 1 2 270.340 0.849 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C#N)C2)C1 ZINC000916882200 616261804 /nfs/dbraw/zinc/26/18/04/616261804.db2.gz FZKRYEXALBUMMV-NWDGAFQWSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C#N)C2)C1 ZINC000916882200 616261805 /nfs/dbraw/zinc/26/18/05/616261805.db2.gz FZKRYEXALBUMMV-NWDGAFQWSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000921414679 616303627 /nfs/dbraw/zinc/30/36/27/616303627.db2.gz UNHRBKIKLTYTMW-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000921414679 616303633 /nfs/dbraw/zinc/30/36/33/616303633.db2.gz UNHRBKIKLTYTMW-SNVBAGLBSA-N 1 2 283.328 0.680 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886004227 616426247 /nfs/dbraw/zinc/42/62/47/616426247.db2.gz VPUPUBDHKXQFSW-UTUOFQBUSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886004227 616426249 /nfs/dbraw/zinc/42/62/49/616426249.db2.gz VPUPUBDHKXQFSW-UTUOFQBUSA-N 1 2 282.340 0.039 20 30 CCEDLO CNC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000931568151 616595449 /nfs/dbraw/zinc/59/54/49/616595449.db2.gz SIOVFKVRWCECQL-CYBMUJFWSA-N 1 2 261.325 0.509 20 30 CCEDLO CNC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000931568151 616595453 /nfs/dbraw/zinc/59/54/53/616595453.db2.gz SIOVFKVRWCECQL-CYBMUJFWSA-N 1 2 261.325 0.509 20 30 CCEDLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853525496 616645527 /nfs/dbraw/zinc/64/55/27/616645527.db2.gz WYRJNXNEDVKSNT-RYUDHWBXSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853525496 616645529 /nfs/dbraw/zinc/64/55/29/616645529.db2.gz WYRJNXNEDVKSNT-RYUDHWBXSA-N 1 2 279.340 0.591 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779061 616696453 /nfs/dbraw/zinc/69/64/53/616696453.db2.gz WJBMKTABJVOQFM-UHFFFAOYSA-N 1 2 266.326 0.507 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779061 616696455 /nfs/dbraw/zinc/69/64/55/616696455.db2.gz WJBMKTABJVOQFM-UHFFFAOYSA-N 1 2 266.326 0.507 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H](C#N)C2)nn1 ZINC000932149790 616730025 /nfs/dbraw/zinc/73/00/25/616730025.db2.gz BLFSLUWYJZHDNW-NSHDSACASA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H](C#N)C2)nn1 ZINC000932149790 616730026 /nfs/dbraw/zinc/73/00/26/616730026.db2.gz BLFSLUWYJZHDNW-NSHDSACASA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCOCCC#N ZINC000933164918 616806395 /nfs/dbraw/zinc/80/63/95/616806395.db2.gz UIIPPXRDLVSDQQ-YPMHNXCESA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCOCCC#N ZINC000933164918 616806397 /nfs/dbraw/zinc/80/63/97/616806397.db2.gz UIIPPXRDLVSDQQ-YPMHNXCESA-N 1 2 252.314 0.944 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901053634 616816658 /nfs/dbraw/zinc/81/66/58/616816658.db2.gz ZEGYFTGKFIMGJK-BCNIOPEESA-N 1 2 281.356 0.310 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000901051091 616817255 /nfs/dbraw/zinc/81/72/55/616817255.db2.gz ICQQELIAHNTDKS-OCCSQVGLSA-N 1 2 291.355 0.835 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000901051091 616817259 /nfs/dbraw/zinc/81/72/59/616817259.db2.gz ICQQELIAHNTDKS-OCCSQVGLSA-N 1 2 291.355 0.835 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000879029379 616859010 /nfs/dbraw/zinc/85/90/10/616859010.db2.gz NRHVIGVTEKIDPS-OCCSQVGLSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCO[C@H](C)C#N ZINC000879029379 616859013 /nfs/dbraw/zinc/85/90/13/616859013.db2.gz NRHVIGVTEKIDPS-OCCSQVGLSA-N 1 2 284.356 0.959 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845440594 616901370 /nfs/dbraw/zinc/90/13/70/616901370.db2.gz TTZWMHKARWQWOU-VXGBXAGGSA-N 1 2 292.339 0.696 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCO[C@H](C)C#N)O1 ZINC000933203339 616959228 /nfs/dbraw/zinc/95/92/28/616959228.db2.gz YCTHLBDOWAPSCL-LXTVHRRPSA-N 1 2 298.383 0.810 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCO[C@H](C)C#N)O1 ZINC000933203339 616959230 /nfs/dbraw/zinc/95/92/30/616959230.db2.gz YCTHLBDOWAPSCL-LXTVHRRPSA-N 1 2 298.383 0.810 20 30 CCEDLO COCC[N@H+](C[C@H](O)CC#N)C[C@H](O)C(F)(F)F ZINC000930883967 617026211 /nfs/dbraw/zinc/02/62/11/617026211.db2.gz LVIPIVJIZNOLJK-BDAKNGLRSA-N 1 2 270.251 0.133 20 30 CCEDLO COCC[N@@H+](C[C@H](O)CC#N)C[C@H](O)C(F)(F)F ZINC000930883967 617026212 /nfs/dbraw/zinc/02/62/12/617026212.db2.gz LVIPIVJIZNOLJK-BDAKNGLRSA-N 1 2 270.251 0.133 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000913554837 617106563 /nfs/dbraw/zinc/10/65/63/617106563.db2.gz NQJRYLKLKVSOQY-CQSZACIVSA-N 1 2 291.351 0.415 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000913554837 617106564 /nfs/dbraw/zinc/10/65/64/617106564.db2.gz NQJRYLKLKVSOQY-CQSZACIVSA-N 1 2 291.351 0.415 20 30 CCEDLO CO[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000880302493 617132481 /nfs/dbraw/zinc/13/24/81/617132481.db2.gz HXWJSFSBXUALBI-SNVBAGLBSA-N 1 2 279.262 0.669 20 30 CCEDLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000880302493 617132482 /nfs/dbraw/zinc/13/24/82/617132482.db2.gz HXWJSFSBXUALBI-SNVBAGLBSA-N 1 2 279.262 0.669 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]12 ZINC001026251893 625374698 /nfs/dbraw/zinc/37/46/98/625374698.db2.gz LLBJIKGSRXNVIK-FRRDWIJNSA-N 1 2 287.367 0.692 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@H]2C1 ZINC001026400561 625431166 /nfs/dbraw/zinc/43/11/66/625431166.db2.gz LPPABEFVOBYFSP-FPMFFAJLSA-N 1 2 287.367 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596630 623386526 /nfs/dbraw/zinc/38/65/26/623386526.db2.gz RFFJSAKYEUDKQY-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001024596630 623386532 /nfs/dbraw/zinc/38/65/32/623386532.db2.gz RFFJSAKYEUDKQY-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807274 623449409 /nfs/dbraw/zinc/44/94/09/623449409.db2.gz AZYWDEPSAYSXIC-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024807274 623449438 /nfs/dbraw/zinc/44/94/38/623449438.db2.gz AZYWDEPSAYSXIC-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024807274 623449442 /nfs/dbraw/zinc/44/94/42/623449442.db2.gz AZYWDEPSAYSXIC-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001017612881 623612262 /nfs/dbraw/zinc/61/22/62/623612262.db2.gz RHEJYVAYMXIVAB-BETUJISGSA-N 1 2 287.367 0.528 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001017612881 623612268 /nfs/dbraw/zinc/61/22/68/623612268.db2.gz RHEJYVAYMXIVAB-BETUJISGSA-N 1 2 287.367 0.528 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc[nH]c1=O ZINC001017834437 623623738 /nfs/dbraw/zinc/62/37/38/623623738.db2.gz PCBJCBJUHWOAGC-TXEJJXNPSA-N 1 2 286.335 0.413 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc[nH]c1=O ZINC001017834437 623623742 /nfs/dbraw/zinc/62/37/42/623623742.db2.gz PCBJCBJUHWOAGC-TXEJJXNPSA-N 1 2 286.335 0.413 20 30 CCEDLO O=C(NCC#C[C@H]1CCCCO1)NCCn1cc[nH+]c1 ZINC000891558925 624885194 /nfs/dbraw/zinc/88/51/94/624885194.db2.gz YUWMFFAVKACQTE-CYBMUJFWSA-N 1 2 276.340 0.755 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N1CCO[C@@](C)(C#N)C1 ZINC000933605696 624909589 /nfs/dbraw/zinc/90/95/89/624909589.db2.gz RCFBFSAYPMYSKA-STQMWFEESA-N 1 2 253.346 0.322 20 30 CCEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934030082 625006681 /nfs/dbraw/zinc/00/66/81/625006681.db2.gz XJUCNBMSCAPBFU-CQSZACIVSA-N 1 2 273.336 1.000 20 30 CCEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934030082 625006688 /nfs/dbraw/zinc/00/66/88/625006688.db2.gz XJUCNBMSCAPBFU-CQSZACIVSA-N 1 2 273.336 1.000 20 30 CCEDLO Cc1nn(CCO[NH+]=C(N)c2ccc(F)cc2)c(=O)o1 ZINC000902693388 634437532 /nfs/dbraw/zinc/43/75/32/634437532.db2.gz DOFVYJSQBYEBMR-UHFFFAOYSA-N 1 2 280.259 0.621 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702136 630860258 /nfs/dbraw/zinc/86/02/58/630860258.db2.gz UTMFOGZMQOQMGQ-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnns1 ZINC001027770348 630905692 /nfs/dbraw/zinc/90/56/92/630905692.db2.gz QQCAPJRDCYXQOL-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnns1 ZINC001027770348 630905695 /nfs/dbraw/zinc/90/56/95/630905695.db2.gz QQCAPJRDCYXQOL-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CCCN(CC#N)CC1 ZINC000981433464 631278197 /nfs/dbraw/zinc/27/81/97/631278197.db2.gz RGABDUKENMWSOE-UHFFFAOYSA-N 1 2 288.351 0.691 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000894309638 631703589 /nfs/dbraw/zinc/70/35/89/631703589.db2.gz QYJJZGCXAPBGEK-FZMZJTMJSA-N 1 2 289.339 0.522 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000310426885 631916757 /nfs/dbraw/zinc/91/67/57/631916757.db2.gz PFZJMWSPQSDFOJ-GHMZBOCLSA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000310426885 631916759 /nfs/dbraw/zinc/91/67/59/631916759.db2.gz PFZJMWSPQSDFOJ-GHMZBOCLSA-N 1 2 260.359 0.424 20 30 CCEDLO Cc1noc(C2CC[NH+](CC(=O)NCCC#N)CC2)n1 ZINC000049333401 631950075 /nfs/dbraw/zinc/95/00/75/631950075.db2.gz QIFNFCQSXDNXPG-UHFFFAOYSA-N 1 2 277.328 0.587 20 30 CCEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247994 632032756 /nfs/dbraw/zinc/03/27/56/632032756.db2.gz XXWFLKZKIBWQBV-DGCLKSJQSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000895247994 632032763 /nfs/dbraw/zinc/03/27/63/632032763.db2.gz XXWFLKZKIBWQBV-DGCLKSJQSA-N 1 2 259.357 0.999 20 30 CCEDLO N#Cc1csc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000897268394 632445194 /nfs/dbraw/zinc/44/51/94/632445194.db2.gz YPSOOPYGSIEVRZ-QMMMGPOBSA-N 1 2 288.336 0.635 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001008307890 650109815 /nfs/dbraw/zinc/10/98/15/650109815.db2.gz ZDGXDIHRBHTFDU-HUUCEWRRSA-N 1 2 295.427 0.862 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001008307890 650109816 /nfs/dbraw/zinc/10/98/16/650109816.db2.gz ZDGXDIHRBHTFDU-HUUCEWRRSA-N 1 2 295.427 0.862 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(CC#N)CC1 ZINC000989586655 633333406 /nfs/dbraw/zinc/33/34/06/633333406.db2.gz WAZIGETVSVATNF-UHFFFAOYSA-N 1 2 275.356 0.411 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2nonc2C)CC1 ZINC000989795411 633355653 /nfs/dbraw/zinc/35/56/53/633355653.db2.gz JYXWFRGHIQEJSN-UHFFFAOYSA-N 1 2 262.313 0.549 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2nonc2C)CC1 ZINC000989795411 633355658 /nfs/dbraw/zinc/35/56/58/633355658.db2.gz JYXWFRGHIQEJSN-UHFFFAOYSA-N 1 2 262.313 0.549 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cn(Cc3ccccc3)nn2)N1 ZINC000901216350 634209952 /nfs/dbraw/zinc/20/99/52/634209952.db2.gz QMDQPUAGFZRJTG-NSHDSACASA-N 1 2 283.339 0.598 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CCC2(O)CCC2)nn1 ZINC000905823511 634913481 /nfs/dbraw/zinc/91/34/81/634913481.db2.gz WAAYENOZEDXNQP-AWEZNQCLSA-N 1 2 292.383 0.447 20 30 CCEDLO CC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000906007324 634948314 /nfs/dbraw/zinc/94/83/14/634948314.db2.gz QHKYAWQBYORTLY-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010186653 650190326 /nfs/dbraw/zinc/19/03/26/650190326.db2.gz MSIUAYXIBMDDNE-NSHDSACASA-N 1 2 268.748 0.826 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010186653 650190328 /nfs/dbraw/zinc/19/03/28/650190328.db2.gz MSIUAYXIBMDDNE-NSHDSACASA-N 1 2 268.748 0.826 20 30 CCEDLO N#Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC000911855053 636424017 /nfs/dbraw/zinc/42/40/17/636424017.db2.gz DUYRZJJOWZUHFN-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010803253 650265988 /nfs/dbraw/zinc/26/59/88/650265988.db2.gz ZOEDTLWVAFOEBS-GFCCVEGCSA-N 1 2 280.759 0.962 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010803253 650265994 /nfs/dbraw/zinc/26/59/94/650265994.db2.gz ZOEDTLWVAFOEBS-GFCCVEGCSA-N 1 2 280.759 0.962 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccsc1C#N ZINC000912611338 636620814 /nfs/dbraw/zinc/62/08/14/636620814.db2.gz CHWVEMBSAJTNKR-SECBINFHSA-N 1 2 276.321 0.817 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@H]2C)C1 ZINC000993791832 637843998 /nfs/dbraw/zinc/84/39/98/637843998.db2.gz QZZQYWAUPKPOLD-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)C1 ZINC000993791832 637844000 /nfs/dbraw/zinc/84/40/00/637844000.db2.gz QZZQYWAUPKPOLD-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NCC#N ZINC000996113340 638809367 /nfs/dbraw/zinc/80/93/67/638809367.db2.gz CYEUIIUMDFTWGR-LBPRGKRZSA-N 1 2 275.356 0.623 20 30 CCEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC(NCC#N)C1 ZINC000999007174 638953767 /nfs/dbraw/zinc/95/37/67/638953767.db2.gz KTLVDQLYGUFTQG-HIFPTAJRSA-N 1 2 287.367 0.548 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014812621 650491331 /nfs/dbraw/zinc/49/13/31/650491331.db2.gz UIGXKAXCTPHRCR-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014812621 650491332 /nfs/dbraw/zinc/49/13/32/650491332.db2.gz UIGXKAXCTPHRCR-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014953739 650508128 /nfs/dbraw/zinc/50/81/28/650508128.db2.gz GOQAMKRSENUCBQ-OLZOCXBDSA-N 1 2 251.374 0.847 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014953739 650508129 /nfs/dbraw/zinc/50/81/29/650508129.db2.gz GOQAMKRSENUCBQ-OLZOCXBDSA-N 1 2 251.374 0.847 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC000839591258 640344278 /nfs/dbraw/zinc/34/42/78/640344278.db2.gz WCOYRUZDWYZXQD-CQSZACIVSA-N 1 2 285.351 0.354 20 30 CCEDLO C[C@H]1CC(=NNCCC[NH+]2CCOCC2)CN1C1CC1 ZINC000799490810 640577423 /nfs/dbraw/zinc/57/74/23/640577423.db2.gz ULWXEOXCEHDFGI-ZDUSSCGKSA-N 1 2 280.416 0.911 20 30 CCEDLO COc1nccnc1N=NCc1c[nH+]c(N(C)C)n1C ZINC000811647243 640983900 /nfs/dbraw/zinc/98/39/00/640983900.db2.gz CCVJQMSSAJQMJI-UHFFFAOYSA-N 1 2 275.316 0.731 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015989131 650670963 /nfs/dbraw/zinc/67/09/63/650670963.db2.gz MPIKLDNALWAPRJ-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001015989131 650670965 /nfs/dbraw/zinc/67/09/65/650670965.db2.gz MPIKLDNALWAPRJ-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015989131 650670968 /nfs/dbraw/zinc/67/09/68/650670968.db2.gz MPIKLDNALWAPRJ-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001015989131 650670970 /nfs/dbraw/zinc/67/09/70/650670970.db2.gz MPIKLDNALWAPRJ-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001016014285 650675623 /nfs/dbraw/zinc/67/56/23/650675623.db2.gz WOIIVLKEXIQHDY-LLVKDONJSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001016014285 650675630 /nfs/dbraw/zinc/67/56/30/650675630.db2.gz WOIIVLKEXIQHDY-LLVKDONJSA-N 1 2 295.770 0.942 20 30 CCEDLO N#C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCN1C1CC1 ZINC000827384868 642003286 /nfs/dbraw/zinc/00/32/86/642003286.db2.gz ZCVISIJVOQAGIE-LLVKDONJSA-N 1 2 259.313 0.151 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000834498670 642587503 /nfs/dbraw/zinc/58/75/03/642587503.db2.gz BMSZLOGBIHBUJS-OIBJUYFYSA-N 1 2 267.235 0.512 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867215891 642724311 /nfs/dbraw/zinc/72/43/11/642724311.db2.gz WPVTUOXBYCMGEA-DXTPNHAXSA-N 1 2 268.357 0.176 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837996506 642780371 /nfs/dbraw/zinc/78/03/71/642780371.db2.gz DGQYVUDAQDCKIU-BETUJISGSA-N 1 2 289.335 0.917 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837996506 642780376 /nfs/dbraw/zinc/78/03/76/642780376.db2.gz DGQYVUDAQDCKIU-BETUJISGSA-N 1 2 289.335 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001017488969 650805603 /nfs/dbraw/zinc/80/56/03/650805603.db2.gz OFHMAEMDBCPVMU-LZWOXQAQSA-N 1 2 276.380 0.846 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001017488969 650805604 /nfs/dbraw/zinc/80/56/04/650805604.db2.gz OFHMAEMDBCPVMU-LZWOXQAQSA-N 1 2 276.380 0.846 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000844015149 643144724 /nfs/dbraw/zinc/14/47/24/643144724.db2.gz DHGDCIQMYOBTQR-CQSZACIVSA-N 1 2 270.292 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccon1 ZINC001017735014 650820039 /nfs/dbraw/zinc/82/00/39/650820039.db2.gz AFCAMVUNTDHJLA-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccon1 ZINC001017735014 650820040 /nfs/dbraw/zinc/82/00/40/650820040.db2.gz AFCAMVUNTDHJLA-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001017827509 650825525 /nfs/dbraw/zinc/82/55/25/650825525.db2.gz PSGNDZOVSLELCW-AOOOYVTPSA-N 1 2 277.349 0.771 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001017827509 650825529 /nfs/dbraw/zinc/82/55/29/650825529.db2.gz PSGNDZOVSLELCW-AOOOYVTPSA-N 1 2 277.349 0.771 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nn1 ZINC001018114336 650844204 /nfs/dbraw/zinc/84/42/04/650844204.db2.gz SNYBTPCZJYLNDW-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nn1 ZINC001018114336 650844208 /nfs/dbraw/zinc/84/42/08/650844208.db2.gz SNYBTPCZJYLNDW-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001018157307 650846312 /nfs/dbraw/zinc/84/63/12/650846312.db2.gz OIBAQWPCNKWTGA-KNCOVGOOSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001018157307 650846315 /nfs/dbraw/zinc/84/63/15/650846315.db2.gz OIBAQWPCNKWTGA-KNCOVGOOSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001018170195 650847053 /nfs/dbraw/zinc/84/70/53/650847053.db2.gz RSOSIVOZXFZYFP-YUELXQCFSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001018170195 650847054 /nfs/dbraw/zinc/84/70/54/650847054.db2.gz RSOSIVOZXFZYFP-YUELXQCFSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1C ZINC001018343952 650854012 /nfs/dbraw/zinc/85/40/12/650854012.db2.gz DSQUEQRHBCWAAW-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1C ZINC001018343952 650854013 /nfs/dbraw/zinc/85/40/13/650854013.db2.gz DSQUEQRHBCWAAW-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018632325 650887513 /nfs/dbraw/zinc/88/75/13/650887513.db2.gz MSQWTVFTXXETEC-BDAKNGLRSA-N 1 2 265.342 0.388 20 30 CCEDLO CC(C)C#CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000854240595 644181720 /nfs/dbraw/zinc/18/17/20/644181720.db2.gz MTTVWLBSGUMCCC-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000867935142 645685632 /nfs/dbraw/zinc/68/56/32/645685632.db2.gz DBWPDFPANSIDDJ-UHFFFAOYSA-N 1 2 268.342 0.533 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(CCC#N)CC1 ZINC000868622592 645795555 /nfs/dbraw/zinc/79/55/55/645795555.db2.gz AMVJOTBLNMZDNK-UHFFFAOYSA-N 1 2 276.344 0.161 20 30 CCEDLO N#C[C@]1(C(=O)NCCNc2cccc[nH+]2)CCCOC1 ZINC000878081302 646867837 /nfs/dbraw/zinc/86/78/37/646867837.db2.gz JCMRKVSGCZWESJ-CQSZACIVSA-N 1 2 274.324 0.930 20 30 CCEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCCN(O)C1=O ZINC000879448658 647059020 /nfs/dbraw/zinc/05/90/20/647059020.db2.gz AKRCDFFBGNABMT-SNVBAGLBSA-N 1 2 289.295 0.836 20 30 CCEDLO Cc1nc(C#N)cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000882350615 647401352 /nfs/dbraw/zinc/40/13/52/647401352.db2.gz HHHBSYHAZGVCMN-SMDDNHRTSA-N 1 2 287.367 0.956 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000929100858 648702460 /nfs/dbraw/zinc/70/24/60/648702460.db2.gz RZCGFYAUOVVIBO-UHFFFAOYSA-N 1 2 259.309 0.954 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@@H+]1CCO ZINC000935500691 649238146 /nfs/dbraw/zinc/23/81/46/649238146.db2.gz WYOVUPIUKMQUNX-GFCCVEGCSA-N 1 2 297.424 0.548 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@H+]1CCO ZINC000935500691 649238149 /nfs/dbraw/zinc/23/81/49/649238149.db2.gz WYOVUPIUKMQUNX-GFCCVEGCSA-N 1 2 297.424 0.548 20 30 CCEDLO CCCOC(=O)[C@H](C)N(CCC#N)CC[NH+]1CCOCC1 ZINC000081157976 649573878 /nfs/dbraw/zinc/57/38/78/649573878.db2.gz YXDPWVHJQNREJU-AWEZNQCLSA-N 1 2 297.399 0.876 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561865 649681982 /nfs/dbraw/zinc/68/19/82/649681982.db2.gz AEWSKULTPYYBLH-CYBMUJFWSA-N 1 2 295.383 0.833 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000090561865 649681984 /nfs/dbraw/zinc/68/19/84/649681984.db2.gz AEWSKULTPYYBLH-CYBMUJFWSA-N 1 2 295.383 0.833 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[n+]([O-])cc1 ZINC001017329693 649730715 /nfs/dbraw/zinc/73/07/15/649730715.db2.gz KLCVSMSENLDETF-OKILXGFUSA-N 1 2 271.320 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[n+]([O-])cc1 ZINC001017329693 649730722 /nfs/dbraw/zinc/73/07/22/649730722.db2.gz KLCVSMSENLDETF-OKILXGFUSA-N 1 2 271.320 0.242 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000248863830 649738365 /nfs/dbraw/zinc/73/83/65/649738365.db2.gz SLJNKEHZPKPCND-UGFHNGPFSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000248863830 649738369 /nfs/dbraw/zinc/73/83/69/649738369.db2.gz SLJNKEHZPKPCND-UGFHNGPFSA-N 1 2 276.336 0.673 20 30 CCEDLO C=CC[N@H+](CC[C@@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252659342 649831288 /nfs/dbraw/zinc/83/12/88/649831288.db2.gz METLAJNVXIPZNW-NEPJUHHUSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[N@@H+](CC[C@@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252659342 649831289 /nfs/dbraw/zinc/83/12/89/649831289.db2.gz METLAJNVXIPZNW-NEPJUHHUSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230533381 805612329 /nfs/dbraw/zinc/61/23/29/805612329.db2.gz WVOPBWKJPUKDRK-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230533381 805612335 /nfs/dbraw/zinc/61/23/35/805612335.db2.gz WVOPBWKJPUKDRK-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC001230584768 805628795 /nfs/dbraw/zinc/62/87/95/805628795.db2.gz NMQSPZUFFSNJMM-OAHLLOKOSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC001230584768 805628801 /nfs/dbraw/zinc/62/88/01/805628801.db2.gz NMQSPZUFFSNJMM-OAHLLOKOSA-N 1 2 287.363 0.878 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230585635 805629523 /nfs/dbraw/zinc/62/95/23/805629523.db2.gz VJKNRZFIZOFVLO-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230585635 805629528 /nfs/dbraw/zinc/62/95/28/805629528.db2.gz VJKNRZFIZOFVLO-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230614878 805632029 /nfs/dbraw/zinc/63/20/29/805632029.db2.gz TVLXRXLHIYPWEL-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230614878 805632038 /nfs/dbraw/zinc/63/20/38/805632038.db2.gz TVLXRXLHIYPWEL-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccccc1F ZINC001266250620 790330506 /nfs/dbraw/zinc/33/05/06/790330506.db2.gz YPLNAQABOMPFMU-UHFFFAOYSA-N 1 2 293.342 0.790 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccccc1F ZINC001266250620 790330518 /nfs/dbraw/zinc/33/05/18/790330518.db2.gz YPLNAQABOMPFMU-UHFFFAOYSA-N 1 2 293.342 0.790 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)[nH]3)[C@H]2C1 ZINC001083187030 790413877 /nfs/dbraw/zinc/41/38/77/790413877.db2.gz WZBWBXHVDDSHEO-NWDGAFQWSA-N 1 2 293.754 0.827 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)[nH]3)[C@H]2C1 ZINC001083187030 790413886 /nfs/dbraw/zinc/41/38/86/790413886.db2.gz WZBWBXHVDDSHEO-NWDGAFQWSA-N 1 2 293.754 0.827 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001266308214 790482455 /nfs/dbraw/zinc/48/24/55/790482455.db2.gz RPPHKEDHVQCDBU-LBPRGKRZSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001266308214 790482461 /nfs/dbraw/zinc/48/24/61/790482461.db2.gz RPPHKEDHVQCDBU-LBPRGKRZSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001266314167 790491024 /nfs/dbraw/zinc/49/10/24/790491024.db2.gz GUSDKFFVEFEABD-DKRCXCIFSA-N 1 2 265.357 0.445 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001266314167 790491029 /nfs/dbraw/zinc/49/10/29/790491029.db2.gz GUSDKFFVEFEABD-DKRCXCIFSA-N 1 2 265.357 0.445 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@@H+](C)CC(=O)NCC)CC1 ZINC001266320343 790499793 /nfs/dbraw/zinc/49/97/93/790499793.db2.gz IASQRSJKSDECIK-UHFFFAOYSA-N 1 2 281.400 0.917 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@H+](C)CC(=O)NCC)CC1 ZINC001266320343 790499801 /nfs/dbraw/zinc/49/98/01/790499801.db2.gz IASQRSJKSDECIK-UHFFFAOYSA-N 1 2 281.400 0.917 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001266342819 790545185 /nfs/dbraw/zinc/54/51/85/790545185.db2.gz UGFRWRSXKLVMCE-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001266342819 790545193 /nfs/dbraw/zinc/54/51/93/790545193.db2.gz UGFRWRSXKLVMCE-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266454511 790746691 /nfs/dbraw/zinc/74/66/91/790746691.db2.gz XQMNBFPEHOHERJ-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266454511 790746702 /nfs/dbraw/zinc/74/67/02/790746702.db2.gz XQMNBFPEHOHERJ-QWHCGFSZSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001266583465 790981450 /nfs/dbraw/zinc/98/14/50/790981450.db2.gz YLUNVGLEJJVFMI-DLOVCJGASA-N 1 2 294.355 0.878 20 30 CCEDLO C#CCCCC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001266684230 791135803 /nfs/dbraw/zinc/13/58/03/791135803.db2.gz KHSUQQIRZJUJEB-UHFFFAOYSA-N 1 2 266.370 0.890 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230735757 805657915 /nfs/dbraw/zinc/65/79/15/805657915.db2.gz YJRJZYCJPNVYGJ-CYBMUJFWSA-N 1 2 275.352 0.811 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230735757 805657918 /nfs/dbraw/zinc/65/79/18/805657918.db2.gz YJRJZYCJPNVYGJ-CYBMUJFWSA-N 1 2 275.352 0.811 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230785837 805664995 /nfs/dbraw/zinc/66/49/95/805664995.db2.gz PWRFLHCBTAORHS-CHWSQXEVSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230785837 805664998 /nfs/dbraw/zinc/66/49/98/805664998.db2.gz PWRFLHCBTAORHS-CHWSQXEVSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCOC ZINC001230881023 805682819 /nfs/dbraw/zinc/68/28/19/805682819.db2.gz SCQCQORTRQCSLJ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCOC ZINC001230881023 805682825 /nfs/dbraw/zinc/68/28/25/805682825.db2.gz SCQCQORTRQCSLJ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC001230947290 805696567 /nfs/dbraw/zinc/69/65/67/805696567.db2.gz AZQKZROMJSNCEO-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC001230947290 805696571 /nfs/dbraw/zinc/69/65/71/805696571.db2.gz AZQKZROMJSNCEO-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231247255 805759994 /nfs/dbraw/zinc/75/99/94/805759994.db2.gz MAUPJPVIQDXPPX-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231247255 805759998 /nfs/dbraw/zinc/75/99/98/805759998.db2.gz MAUPJPVIQDXPPX-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO C[N@H+]1C[C@H]2CN(CC(=O)c3cccc(C#N)c3)C[C@@H](C1)O2 ZINC001277507342 805776475 /nfs/dbraw/zinc/77/64/75/805776475.db2.gz WHNYQNMLBUJKHH-GASCZTMLSA-N 1 2 285.347 0.756 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(CC(=O)c3cccc(C#N)c3)C[C@@H](C1)O2 ZINC001277507342 805776480 /nfs/dbraw/zinc/77/64/80/805776480.db2.gz WHNYQNMLBUJKHH-GASCZTMLSA-N 1 2 285.347 0.756 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395946 805789288 /nfs/dbraw/zinc/78/92/88/805789288.db2.gz RNZHSOFADUZAQB-AWEZNQCLSA-N 1 2 291.351 0.400 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395946 805789294 /nfs/dbraw/zinc/78/92/94/805789294.db2.gz RNZHSOFADUZAQB-AWEZNQCLSA-N 1 2 291.351 0.400 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ccn[nH]1 ZINC001231407937 805794594 /nfs/dbraw/zinc/79/45/94/805794594.db2.gz QTKBEZAZPDIDKB-ZDUSSCGKSA-N 1 2 260.341 0.508 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ccn[nH]1 ZINC001231407937 805794601 /nfs/dbraw/zinc/79/46/01/805794601.db2.gz QTKBEZAZPDIDKB-ZDUSSCGKSA-N 1 2 260.341 0.508 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CCCO1 ZINC001232481669 805945256 /nfs/dbraw/zinc/94/52/56/805945256.db2.gz HRELXJALQDHBCX-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CCCO1 ZINC001232481669 805945264 /nfs/dbraw/zinc/94/52/64/805945264.db2.gz HRELXJALQDHBCX-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481341 805945929 /nfs/dbraw/zinc/94/59/29/805945929.db2.gz CMOCQWGUKLFIJF-CYBMUJFWSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481341 805945935 /nfs/dbraw/zinc/94/59/35/805945935.db2.gz CMOCQWGUKLFIJF-CYBMUJFWSA-N 1 2 288.351 0.680 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccco3)[C@H]2C1 ZINC001083229826 791374516 /nfs/dbraw/zinc/37/45/16/791374516.db2.gz UOKOGFPHNOHYOD-UONOGXRCSA-N 1 2 274.320 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccco3)[C@H]2C1 ZINC001083229826 791374522 /nfs/dbraw/zinc/37/45/22/791374522.db2.gz UOKOGFPHNOHYOD-UONOGXRCSA-N 1 2 274.320 0.367 20 30 CCEDLO C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266948771 791383854 /nfs/dbraw/zinc/38/38/54/791383854.db2.gz KZVYNIBRVIEUNH-QWRGUYRKSA-N 1 2 261.329 0.063 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233489232 806063087 /nfs/dbraw/zinc/06/30/87/806063087.db2.gz KAAURRFLFHMDMJ-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233489232 806063094 /nfs/dbraw/zinc/06/30/94/806063094.db2.gz KAAURRFLFHMDMJ-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001038242100 791624092 /nfs/dbraw/zinc/62/40/92/791624092.db2.gz SSGZLNRIMMNBJR-CYBMUJFWSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001038242100 791624096 /nfs/dbraw/zinc/62/40/96/791624096.db2.gz SSGZLNRIMMNBJR-CYBMUJFWSA-N 1 2 290.367 0.275 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001267194274 791654386 /nfs/dbraw/zinc/65/43/86/791654386.db2.gz MDEFKZLRKUBWKV-ZDUSSCGKSA-N 1 2 293.411 0.609 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001267194274 791654391 /nfs/dbraw/zinc/65/43/91/791654391.db2.gz MDEFKZLRKUBWKV-ZDUSSCGKSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233752599 806114346 /nfs/dbraw/zinc/11/43/46/806114346.db2.gz STFVIJONCFRSMU-VXGBXAGGSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233752599 806114349 /nfs/dbraw/zinc/11/43/49/806114349.db2.gz STFVIJONCFRSMU-VXGBXAGGSA-N 1 2 261.329 0.005 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233866971 806134879 /nfs/dbraw/zinc/13/48/79/806134879.db2.gz WVCOMYBBLYQDFB-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233866971 806134885 /nfs/dbraw/zinc/13/48/85/806134885.db2.gz WVCOMYBBLYQDFB-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234163077 806194417 /nfs/dbraw/zinc/19/44/17/806194417.db2.gz XMNTXCJAISUVBO-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234163077 806194421 /nfs/dbraw/zinc/19/44/21/806194421.db2.gz XMNTXCJAISUVBO-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177911 806195304 /nfs/dbraw/zinc/19/53/04/806195304.db2.gz GHVZRHCCNVRMFG-CYBMUJFWSA-N 1 2 277.368 0.021 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177911 806195309 /nfs/dbraw/zinc/19/53/09/806195309.db2.gz GHVZRHCCNVRMFG-CYBMUJFWSA-N 1 2 277.368 0.021 20 30 CCEDLO CN(C[C@H]1CCN1Cc1c[nH+]cn1C)C(=O)C#CC1CC1 ZINC001234179632 806198216 /nfs/dbraw/zinc/19/82/16/806198216.db2.gz XRFRIASXYMJFBC-CQSZACIVSA-N 1 2 286.379 0.866 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425603 806242157 /nfs/dbraw/zinc/24/21/57/806242157.db2.gz OMGYNGIATSNQDV-AWEZNQCLSA-N 1 2 275.352 0.811 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425603 806242159 /nfs/dbraw/zinc/24/21/59/806242159.db2.gz OMGYNGIATSNQDV-AWEZNQCLSA-N 1 2 275.352 0.811 20 30 CCEDLO Cn1cnc(NS(=O)(=O)CC2CC[NH2+]CC2)c1C#N ZINC001237542505 806679840 /nfs/dbraw/zinc/67/98/40/806679840.db2.gz VDMZQXFTKCUBQC-UHFFFAOYSA-N 1 2 283.357 0.033 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(OC)nc(OC)c2)CC1 ZINC001237569556 806687145 /nfs/dbraw/zinc/68/71/45/806687145.db2.gz UWTQIDZULJMUCS-UHFFFAOYSA-N 1 2 275.352 0.850 20 30 CCEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1=O ZINC001120596510 798882503 /nfs/dbraw/zinc/88/25/03/798882503.db2.gz HJDAONASGPMVLH-QWRGUYRKSA-N 1 2 262.313 0.555 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001121509451 799054225 /nfs/dbraw/zinc/05/42/25/799054225.db2.gz GEUFOVKKWFLBTP-QWHCGFSZSA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001121509451 799054233 /nfs/dbraw/zinc/05/42/33/799054233.db2.gz GEUFOVKKWFLBTP-QWHCGFSZSA-N 1 2 289.383 0.661 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607565 799059931 /nfs/dbraw/zinc/05/99/31/799059931.db2.gz OPHSGQQIVDQAQC-IUODEOHRSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607565 799059936 /nfs/dbraw/zinc/05/99/36/799059936.db2.gz OPHSGQQIVDQAQC-IUODEOHRSA-N 1 2 291.399 0.976 20 30 CCEDLO C#CCOCCN(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001124133429 799565149 /nfs/dbraw/zinc/56/51/49/799565149.db2.gz RZOCLZWXWHANOP-WYMLVPIESA-N 1 2 280.368 0.373 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001124902637 799644909 /nfs/dbraw/zinc/64/49/09/799644909.db2.gz LMHDNWLNURYTQL-SECBINFHSA-N 1 2 277.328 0.388 20 30 CCEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC001138871777 799764851 /nfs/dbraw/zinc/76/48/51/799764851.db2.gz QGLWYVHTSHVZFX-GFCCVEGCSA-N 1 2 259.309 0.896 20 30 CCEDLO N#C[C@H]1CC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC001138871777 799764854 /nfs/dbraw/zinc/76/48/54/799764854.db2.gz QGLWYVHTSHVZFX-GFCCVEGCSA-N 1 2 259.309 0.896 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc3nonc3c2)CC1 ZINC001139222859 799792403 /nfs/dbraw/zinc/79/24/03/799792403.db2.gz XKYJWCHSQGGASV-UHFFFAOYSA-N 1 2 256.309 0.974 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc3c(cn2)OCCO3)CC1 ZINC001143066804 800192828 /nfs/dbraw/zinc/19/28/28/800192828.db2.gz GGAXWNBMTRLCDB-UHFFFAOYSA-N 1 2 273.336 0.604 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154529013 800795449 /nfs/dbraw/zinc/79/54/49/800795449.db2.gz WMOAZAAKJVEEQX-GFCCVEGCSA-N 1 2 263.345 0.623 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)ncc2C#N)C1 ZINC001155195065 800927521 /nfs/dbraw/zinc/92/75/21/800927521.db2.gz ZIHJLCGEPKHXAQ-VIFPVBQESA-N 1 2 267.720 0.166 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)ncc2C#N)C1 ZINC001155195065 800927524 /nfs/dbraw/zinc/92/75/24/800927524.db2.gz ZIHJLCGEPKHXAQ-VIFPVBQESA-N 1 2 267.720 0.166 20 30 CCEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)CC ZINC001157098787 801299975 /nfs/dbraw/zinc/29/99/75/801299975.db2.gz YNPJCSRRWKOAHA-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)CC ZINC001157098787 801299979 /nfs/dbraw/zinc/29/99/79/801299979.db2.gz YNPJCSRRWKOAHA-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(OC)c(C#N)cc2F)C[NH2+]1 ZINC001158255918 801606959 /nfs/dbraw/zinc/60/69/59/801606959.db2.gz FXCUYVZIMHHNQR-SCZZXKLOSA-N 1 2 294.286 0.416 20 30 CCEDLO COc1cc(C#N)nc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC001158706918 801688730 /nfs/dbraw/zinc/68/87/30/801688730.db2.gz FSKSTARIUNGEIN-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)nc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC001158706918 801688739 /nfs/dbraw/zinc/68/87/39/801688739.db2.gz FSKSTARIUNGEIN-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO Cc1ncc(C#N)c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160722792 802010720 /nfs/dbraw/zinc/01/07/20/802010720.db2.gz IRJAMLXPKYNILD-KBPBESRZSA-N 1 2 287.367 0.744 20 30 CCEDLO Cc1ncc(C#N)c(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161320751 802125843 /nfs/dbraw/zinc/12/58/43/802125843.db2.gz PXZCKLMNGPSTJH-UHFFFAOYSA-N 1 2 266.308 0.774 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162683268 802392543 /nfs/dbraw/zinc/39/25/43/802392543.db2.gz CMYZUVSSKUCHIO-JTQLQIEISA-N 1 2 272.312 0.271 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162683268 802392552 /nfs/dbraw/zinc/39/25/52/802392552.db2.gz CMYZUVSSKUCHIO-JTQLQIEISA-N 1 2 272.312 0.271 20 30 CCEDLO C=CCS(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC001259934367 808810338 /nfs/dbraw/zinc/81/03/38/808810338.db2.gz OAIQQODKOITKFQ-UHFFFAOYSA-N 1 2 250.339 0.526 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367310 809645452 /nfs/dbraw/zinc/64/54/52/809645452.db2.gz WEDYYMPBWISIGC-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367310 809645457 /nfs/dbraw/zinc/64/54/57/809645457.db2.gz WEDYYMPBWISIGC-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001264971662 809682661 /nfs/dbraw/zinc/68/26/61/809682661.db2.gz ZMMLMNMHOFMYOC-VIFPVBQESA-N 1 2 265.317 0.476 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001264971662 809682665 /nfs/dbraw/zinc/68/26/65/809682665.db2.gz ZMMLMNMHOFMYOC-VIFPVBQESA-N 1 2 265.317 0.476 20 30 CCEDLO N#CCNCC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593222 802853563 /nfs/dbraw/zinc/85/35/63/802853563.db2.gz GANXPQGHIMWDIF-VXGBXAGGSA-N 1 2 287.367 0.913 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001165922000 802876238 /nfs/dbraw/zinc/87/62/38/802876238.db2.gz YEZFXIRORNWQAM-CYBMUJFWSA-N 1 2 280.376 0.408 20 30 CCEDLO N#Cc1nccnc1N1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001166919723 802976927 /nfs/dbraw/zinc/97/69/27/802976927.db2.gz BTJAHRXPWPDMIQ-UHFFFAOYSA-N 1 2 282.311 0.047 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276432318 803056301 /nfs/dbraw/zinc/05/63/01/803056301.db2.gz LPIBNVGYLXIGDN-YGRLFVJLSA-N 1 2 267.373 0.511 20 30 CCEDLO C#CCOCCC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001268828613 813104815 /nfs/dbraw/zinc/10/48/15/813104815.db2.gz GXQXPVFNIGAPMR-UHFFFAOYSA-N 1 2 290.367 0.008 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206059798 803199146 /nfs/dbraw/zinc/19/91/46/803199146.db2.gz SHJSVIXUKVZXSG-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206059798 803199150 /nfs/dbraw/zinc/19/91/50/803199150.db2.gz SHJSVIXUKVZXSG-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206607671 803275213 /nfs/dbraw/zinc/27/52/13/803275213.db2.gz VRZSLAXDOXKYKI-DGCLKSJQSA-N 1 2 279.340 0.814 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206607671 803275219 /nfs/dbraw/zinc/27/52/19/803275219.db2.gz VRZSLAXDOXKYKI-DGCLKSJQSA-N 1 2 279.340 0.814 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001208309692 803504370 /nfs/dbraw/zinc/50/43/70/803504370.db2.gz SWODVNGCGCRDHP-DGCLKSJQSA-N 1 2 291.399 0.964 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001208309692 803504375 /nfs/dbraw/zinc/50/43/75/803504375.db2.gz SWODVNGCGCRDHP-DGCLKSJQSA-N 1 2 291.399 0.964 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(F)(F)F)[C@H]2C1 ZINC001217606831 803897907 /nfs/dbraw/zinc/89/79/07/803897907.db2.gz HJDNBWIZHGYYFQ-WDEREUQCSA-N 1 2 290.285 0.874 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(F)(F)F)[C@H]2C1 ZINC001217606831 803897913 /nfs/dbraw/zinc/89/79/13/803897913.db2.gz HJDNBWIZHGYYFQ-WDEREUQCSA-N 1 2 290.285 0.874 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CO[C@@H](C)CC)[C@H]2C1 ZINC001217655192 803900513 /nfs/dbraw/zinc/90/05/13/803900513.db2.gz RETBRAJREMGPQZ-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CO[C@@H](C)CC)[C@H]2C1 ZINC001217655192 803900526 /nfs/dbraw/zinc/90/05/26/803900526.db2.gz RETBRAJREMGPQZ-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)[C@@H](O)C1 ZINC001083443875 814981914 /nfs/dbraw/zinc/98/19/14/814981914.db2.gz BYLXJHHBXUQNGH-ZJUUUORDSA-N 1 2 270.329 0.848 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2F)[C@@H](O)C1 ZINC001083443875 814981916 /nfs/dbraw/zinc/98/19/16/814981916.db2.gz BYLXJHHBXUQNGH-ZJUUUORDSA-N 1 2 270.329 0.848 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1n[nH]c2cccc(C#N)c21 ZINC001218656372 804067287 /nfs/dbraw/zinc/06/72/87/804067287.db2.gz HHEGYJYBRLNIGF-QMMMGPOBSA-N 1 2 287.279 0.263 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1O ZINC001276793106 804088260 /nfs/dbraw/zinc/08/82/60/804088260.db2.gz OZFCPPLUYYUQEH-CYBMUJFWSA-N 1 2 288.347 0.846 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1O ZINC001276793106 804088273 /nfs/dbraw/zinc/08/82/73/804088273.db2.gz OZFCPPLUYYUQEH-CYBMUJFWSA-N 1 2 288.347 0.846 20 30 CCEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001218966844 804166920 /nfs/dbraw/zinc/16/69/20/804166920.db2.gz YGAQSYBVJFDWPR-NSHDSACASA-N 1 2 288.311 0.105 20 30 CCEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001218966844 804166923 /nfs/dbraw/zinc/16/69/23/804166923.db2.gz YGAQSYBVJFDWPR-NSHDSACASA-N 1 2 288.311 0.105 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001219378681 804290482 /nfs/dbraw/zinc/29/04/82/804290482.db2.gz CCXQJNPLVHILCK-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001219378681 804290486 /nfs/dbraw/zinc/29/04/86/804290486.db2.gz CCXQJNPLVHILCK-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C#Cc1ccc(NC(=O)C[C@H]([NH3+])C(=O)OC)cc1F ZINC001219384557 804293769 /nfs/dbraw/zinc/29/37/69/804293769.db2.gz SIBVCOUMNPVFEJ-NSHDSACASA-N 1 2 264.256 0.636 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219383214 804294805 /nfs/dbraw/zinc/29/48/05/804294805.db2.gz GYNUGDMXDCKXGF-NOTVGZETSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219383214 804294812 /nfs/dbraw/zinc/29/48/12/804294812.db2.gz GYNUGDMXDCKXGF-NOTVGZETSA-N 1 2 257.721 0.060 20 30 CCEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)CC ZINC001219466135 804324611 /nfs/dbraw/zinc/32/46/11/804324611.db2.gz YGCNYJHYHPZEQC-CABCVRRESA-N 1 2 294.395 0.544 20 30 CCEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)CC ZINC001219466135 804324619 /nfs/dbraw/zinc/32/46/19/804324619.db2.gz YGCNYJHYHPZEQC-CABCVRRESA-N 1 2 294.395 0.544 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001272111714 815014809 /nfs/dbraw/zinc/01/48/09/815014809.db2.gz UHWYLDHQJKUSLI-VXGBXAGGSA-N 1 2 280.372 0.062 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001272111714 815014811 /nfs/dbraw/zinc/01/48/11/815014811.db2.gz UHWYLDHQJKUSLI-VXGBXAGGSA-N 1 2 280.372 0.062 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219883910 804439838 /nfs/dbraw/zinc/43/98/38/804439838.db2.gz ZTWIUQYRTIJKHX-MJBXVCDLSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219883910 804439842 /nfs/dbraw/zinc/43/98/42/804439842.db2.gz ZTWIUQYRTIJKHX-MJBXVCDLSA-N 1 2 296.411 0.480 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220184876 804530985 /nfs/dbraw/zinc/53/09/85/804530985.db2.gz VLTCUAZIPHWWKP-NEPJUHHUSA-N 1 2 256.321 0.311 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220184876 804530989 /nfs/dbraw/zinc/53/09/89/804530989.db2.gz VLTCUAZIPHWWKP-NEPJUHHUSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H](O)C1 ZINC001220717347 804654608 /nfs/dbraw/zinc/65/46/08/804654608.db2.gz KQPBOEZXWQXQAG-OLZOCXBDSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H](O)C1 ZINC001220717347 804654611 /nfs/dbraw/zinc/65/46/11/804654611.db2.gz KQPBOEZXWQXQAG-OLZOCXBDSA-N 1 2 266.385 0.853 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221753854 804843843 /nfs/dbraw/zinc/84/38/43/804843843.db2.gz QKSIMOOZSNKAJD-MGPQQGTHSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221753854 804843846 /nfs/dbraw/zinc/84/38/46/804843846.db2.gz QKSIMOOZSNKAJD-MGPQQGTHSA-N 1 2 293.411 0.867 20 30 CCEDLO Cc1cc(=O)c(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001225470577 805131366 /nfs/dbraw/zinc/13/13/66/805131366.db2.gz XDYAEFFONXVQPP-JTQLQIEISA-N 1 2 263.297 0.677 20 30 CCEDLO Cc1cc(=O)c(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001225470577 805131371 /nfs/dbraw/zinc/13/13/71/805131371.db2.gz XDYAEFFONXVQPP-JTQLQIEISA-N 1 2 263.297 0.677 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001277055378 805142399 /nfs/dbraw/zinc/14/23/99/805142399.db2.gz OTNNEKSVWJFBGN-LLVKDONJSA-N 1 2 277.324 0.451 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225673420 805150500 /nfs/dbraw/zinc/15/05/00/805150500.db2.gz QPLIRMOXNWOPOG-LSVRBPJHSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225673420 805150505 /nfs/dbraw/zinc/15/05/05/805150505.db2.gz QPLIRMOXNWOPOG-LSVRBPJHSA-N 1 2 257.293 0.944 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001226588920 805251259 /nfs/dbraw/zinc/25/12/59/805251259.db2.gz FAACZEANNSIZES-UHFFFAOYSA-N 1 2 290.367 0.760 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001226624584 805256664 /nfs/dbraw/zinc/25/66/64/805256664.db2.gz ADRGAKLICPZLTO-JTQLQIEISA-N 1 2 262.313 0.915 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2ccnnc2)C3)C1 ZINC001277215125 805358968 /nfs/dbraw/zinc/35/89/68/805358968.db2.gz XCRCXLJPQCBUCZ-AWEZNQCLSA-N 1 2 297.362 0.671 20 30 CCEDLO Cc1noc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c12 ZINC001228303070 805431703 /nfs/dbraw/zinc/43/17/03/805431703.db2.gz ABLNLDZOIJSINK-ADAFDVPTSA-N 1 2 288.307 0.917 20 30 CCEDLO Cc1noc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c12 ZINC001228303070 805431707 /nfs/dbraw/zinc/43/17/07/805431707.db2.gz ABLNLDZOIJSINK-ADAFDVPTSA-N 1 2 288.307 0.917 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4nc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228736903 805476086 /nfs/dbraw/zinc/47/60/86/805476086.db2.gz PSKLXSRVODTFBP-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4nc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228736903 805476090 /nfs/dbraw/zinc/47/60/90/805476090.db2.gz PSKLXSRVODTFBP-PINQPDRWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3/C=N/N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229293587 805518888 /nfs/dbraw/zinc/51/88/88/805518888.db2.gz QXQTUFNUDIUNHN-AJBWEPFISA-N 1 2 273.336 0.970 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3/C=N/N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229293587 805518894 /nfs/dbraw/zinc/51/88/94/805518894.db2.gz QXQTUFNUDIUNHN-AJBWEPFISA-N 1 2 273.336 0.970 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCN(CC#N)CC1 ZINC001229558978 805542335 /nfs/dbraw/zinc/54/23/35/805542335.db2.gz MYCNAXQCELSJDO-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCN(CC#N)CC1 ZINC001229558978 805542339 /nfs/dbraw/zinc/54/23/39/805542339.db2.gz MYCNAXQCELSJDO-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@@H](O)C1 ZINC001083467471 815114072 /nfs/dbraw/zinc/11/40/72/815114072.db2.gz BNVOSDFEDIODBK-RDBSUJKOSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@@H](O)C1 ZINC001083467471 815114076 /nfs/dbraw/zinc/11/40/76/815114076.db2.gz BNVOSDFEDIODBK-RDBSUJKOSA-N 1 2 294.395 0.376 20 30 CCEDLO C=CCCNC(=S)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001247668153 807476544 /nfs/dbraw/zinc/47/65/44/807476544.db2.gz DDGCJUMDNXSAJY-LLVKDONJSA-N 1 2 269.414 0.890 20 30 CCEDLO C=CCCNC(=S)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001247668153 807476549 /nfs/dbraw/zinc/47/65/49/807476549.db2.gz DDGCJUMDNXSAJY-LLVKDONJSA-N 1 2 269.414 0.890 20 30 CCEDLO N#CCNC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278599531 807612463 /nfs/dbraw/zinc/61/24/63/807612463.db2.gz ANZRZSCRNPVLAG-QWRGUYRKSA-N 1 2 261.329 0.350 20 30 CCEDLO N#Cc1c(F)ccc(NC[C@@H](O)C[NH+]2CCOCC2)c1F ZINC001251025875 807645257 /nfs/dbraw/zinc/64/52/57/807645257.db2.gz HUKRUYWNJIDHEZ-SNVBAGLBSA-N 1 2 297.305 0.941 20 30 CCEDLO N#Cc1cc(F)cc(F)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251031786 807649612 /nfs/dbraw/zinc/64/96/12/807649612.db2.gz NXDXXJVYXIUTRE-GFCCVEGCSA-N 1 2 297.305 0.941 20 30 CCEDLO N#C[C@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001251036191 807651000 /nfs/dbraw/zinc/65/10/00/807651000.db2.gz ARGZOYARUWPWOJ-CABCVRRESA-N 1 2 293.342 0.673 20 30 CCEDLO CC(C)[C@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251035690 807651108 /nfs/dbraw/zinc/65/11/08/807651108.db2.gz LIKRETSVRHEMEI-OLZOCXBDSA-N 1 2 255.362 0.207 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001251844388 807717438 /nfs/dbraw/zinc/71/74/38/807717438.db2.gz RGAKGKOYEFJYEW-CYBMUJFWSA-N 1 2 293.367 0.246 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001251844388 807717440 /nfs/dbraw/zinc/71/74/40/807717440.db2.gz RGAKGKOYEFJYEW-CYBMUJFWSA-N 1 2 293.367 0.246 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001251855458 807723281 /nfs/dbraw/zinc/72/32/81/807723281.db2.gz XWJDURWQJZHDIM-CQSZACIVSA-N 1 2 261.321 0.812 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001251855458 807723287 /nfs/dbraw/zinc/72/32/87/807723287.db2.gz XWJDURWQJZHDIM-CQSZACIVSA-N 1 2 261.321 0.812 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001251887801 807735291 /nfs/dbraw/zinc/73/52/91/807735291.db2.gz JMWOVKHMMWXIPJ-AVGNSLFASA-N 1 2 271.357 0.565 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001038488723 815149356 /nfs/dbraw/zinc/14/93/56/815149356.db2.gz QTXRTKLOTLPXQG-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001038488723 815149359 /nfs/dbraw/zinc/14/93/59/815149359.db2.gz QTXRTKLOTLPXQG-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCc2c(ncn2C)C1 ZINC001252471624 807880808 /nfs/dbraw/zinc/88/08/08/807880808.db2.gz ZTUGVQLTMAECQR-LLVKDONJSA-N 1 2 251.330 0.342 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCc2c(ncn2C)C1 ZINC001252471624 807880813 /nfs/dbraw/zinc/88/08/13/807880813.db2.gz ZTUGVQLTMAECQR-LLVKDONJSA-N 1 2 251.330 0.342 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252547320 807906102 /nfs/dbraw/zinc/90/61/02/807906102.db2.gz FUYLOLXGNCBOCY-GXTWGEPZSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252547320 807906106 /nfs/dbraw/zinc/90/61/06/807906106.db2.gz FUYLOLXGNCBOCY-GXTWGEPZSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC001252559304 807910980 /nfs/dbraw/zinc/91/09/80/807910980.db2.gz VGLRIEBPWTYLHF-PWSUYJOCSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC001252559304 807910982 /nfs/dbraw/zinc/91/09/82/807910982.db2.gz VGLRIEBPWTYLHF-PWSUYJOCSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001253572730 808082086 /nfs/dbraw/zinc/08/20/86/808082086.db2.gz NKPLKZXFGQUCRZ-ZDUSSCGKSA-N 1 2 266.345 0.174 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126885668 815188577 /nfs/dbraw/zinc/18/85/77/815188577.db2.gz IZJPDYNYQTXMIR-JTQLQIEISA-N 1 2 276.340 0.812 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1C(C)=O ZINC001254676426 808273614 /nfs/dbraw/zinc/27/36/14/808273614.db2.gz LNQCEBHIWWJLRP-AVGNSLFASA-N 1 2 279.340 0.384 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1C(C)=O ZINC001254676426 808273622 /nfs/dbraw/zinc/27/36/22/808273622.db2.gz LNQCEBHIWWJLRP-AVGNSLFASA-N 1 2 279.340 0.384 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001255327918 808345840 /nfs/dbraw/zinc/34/58/40/808345840.db2.gz PBABBWRRRWGDPE-MNOVXSKESA-N 1 2 264.329 0.698 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001278891701 808432491 /nfs/dbraw/zinc/43/24/91/808432491.db2.gz MNUSSPHPFQZFLA-UHFFFAOYSA-N 1 2 278.396 0.999 20 30 CCEDLO C#Cc1cncc(C(=O)NCC2(O)C[NH+](CC=C(C)C)C2)c1 ZINC001278906614 808459468 /nfs/dbraw/zinc/45/94/68/808459468.db2.gz ATNQLRAYEZMCOD-UHFFFAOYSA-N 1 2 299.374 0.806 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(CF)CCC2)C1 ZINC001278907914 808465730 /nfs/dbraw/zinc/46/57/30/808465730.db2.gz UJYLBRXCWNFEAE-UHFFFAOYSA-N 1 2 268.332 0.312 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC(CC)CC)C1 ZINC001278919250 808479912 /nfs/dbraw/zinc/47/99/12/808479912.db2.gz OABDOXNAKCYWKL-UHFFFAOYSA-N 1 2 266.385 0.999 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257938880 808645073 /nfs/dbraw/zinc/64/50/73/808645073.db2.gz JPPPERODDILWAE-LLVKDONJSA-N 1 2 275.370 0.308 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257938880 808645075 /nfs/dbraw/zinc/64/50/75/808645075.db2.gz JPPPERODDILWAE-LLVKDONJSA-N 1 2 275.370 0.308 20 30 CCEDLO CON=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001262644989 809383900 /nfs/dbraw/zinc/38/39/00/809383900.db2.gz OKIONFLJOQQWES-WDEREUQCSA-N 1 2 293.327 0.103 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCOC ZINC001262947117 809423408 /nfs/dbraw/zinc/42/34/08/809423408.db2.gz FUNYGGGJGOKILL-NEPJUHHUSA-N 1 2 295.387 0.284 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCOC ZINC001262947117 809423413 /nfs/dbraw/zinc/42/34/13/809423413.db2.gz FUNYGGGJGOKILL-NEPJUHHUSA-N 1 2 295.387 0.284 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001263821648 809577974 /nfs/dbraw/zinc/57/79/74/809577974.db2.gz WKCTYFASKKKHOQ-GOEBONIOSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001263821648 809577980 /nfs/dbraw/zinc/57/79/80/809577980.db2.gz WKCTYFASKKKHOQ-GOEBONIOSA-N 1 2 293.411 0.703 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001265203044 809722395 /nfs/dbraw/zinc/72/23/95/809722395.db2.gz BFAVCCRQENSRGL-LBPRGKRZSA-N 1 2 290.367 0.511 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001265203044 809722398 /nfs/dbraw/zinc/72/23/98/809722398.db2.gz BFAVCCRQENSRGL-LBPRGKRZSA-N 1 2 290.367 0.511 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001265212746 809725731 /nfs/dbraw/zinc/72/57/31/809725731.db2.gz FHCIFPOPYLDWOR-STQMWFEESA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001265212746 809725736 /nfs/dbraw/zinc/72/57/36/809725736.db2.gz FHCIFPOPYLDWOR-STQMWFEESA-N 1 2 277.368 0.115 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001265227582 809728140 /nfs/dbraw/zinc/72/81/40/809728140.db2.gz YWJMQNCEMZINPC-CQSZACIVSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001265227582 809728147 /nfs/dbraw/zinc/72/81/47/809728147.db2.gz YWJMQNCEMZINPC-CQSZACIVSA-N 1 2 288.351 0.321 20 30 CCEDLO C[C@@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001265259475 809734261 /nfs/dbraw/zinc/73/42/61/809734261.db2.gz ABZITWOFMYFTIS-CYBMUJFWSA-N 1 2 278.400 0.680 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#C)C1 ZINC001265278742 809744242 /nfs/dbraw/zinc/74/42/42/809744242.db2.gz JLJWDNPLJVHCAI-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#C)C1 ZINC001265278742 809744247 /nfs/dbraw/zinc/74/42/47/809744247.db2.gz JLJWDNPLJVHCAI-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)cc1C#N ZINC001076650069 815327049 /nfs/dbraw/zinc/32/70/49/815327049.db2.gz OQMAVHOSWKBHLA-ZIAGYGMSSA-N 1 2 289.335 0.248 20 30 CCEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(C)=O)C2)cc1C#N ZINC001076650069 815327056 /nfs/dbraw/zinc/32/70/56/815327056.db2.gz OQMAVHOSWKBHLA-ZIAGYGMSSA-N 1 2 289.335 0.248 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NCC[C@H](C)NCC#N)c[nH+]1 ZINC001266154782 809951277 /nfs/dbraw/zinc/95/12/77/809951277.db2.gz FXNLOINOUHCWQD-NSHDSACASA-N 1 2 277.372 0.935 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001266200205 809960231 /nfs/dbraw/zinc/96/02/31/809960231.db2.gz HJVOSQFGLRTIOB-ZDUSSCGKSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001266200205 809960236 /nfs/dbraw/zinc/96/02/36/809960236.db2.gz HJVOSQFGLRTIOB-ZDUSSCGKSA-N 1 2 291.351 0.827 20 30 CCEDLO O=C(C#CC1CC1)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001280405854 810015562 /nfs/dbraw/zinc/01/55/62/810015562.db2.gz GQAQYWSWDYWHMY-AWEZNQCLSA-N 1 2 262.353 0.627 20 30 CCEDLO O=C(C#CC1CC1)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001280405854 810015569 /nfs/dbraw/zinc/01/55/69/810015569.db2.gz GQAQYWSWDYWHMY-AWEZNQCLSA-N 1 2 262.353 0.627 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001076796147 815375233 /nfs/dbraw/zinc/37/52/33/815375233.db2.gz AGOMMJHCLKJVRX-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001076796147 815375239 /nfs/dbraw/zinc/37/52/39/815375239.db2.gz AGOMMJHCLKJVRX-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO C[C@@H](CC(=O)NC[C@@H]1CCCN1CC#N)n1cc[nH+]c1 ZINC001267278583 811085797 /nfs/dbraw/zinc/08/57/97/811085797.db2.gz MONDDPOCIYXRLS-STQMWFEESA-N 1 2 275.356 0.938 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](Cc1cnnn1C)C1CC1 ZINC001267322501 811152981 /nfs/dbraw/zinc/15/29/81/811152981.db2.gz FIYVCQUGIHGEMJ-UHFFFAOYSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](Cc1cnnn1C)C1CC1 ZINC001267322501 811152987 /nfs/dbraw/zinc/15/29/87/811152987.db2.gz FIYVCQUGIHGEMJ-UHFFFAOYSA-N 1 2 277.372 0.862 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001083558696 815427328 /nfs/dbraw/zinc/42/73/28/815427328.db2.gz WMRADIFSOMDPQE-KGLIPLIRSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001083558696 815427332 /nfs/dbraw/zinc/42/73/32/815427332.db2.gz WMRADIFSOMDPQE-KGLIPLIRSA-N 1 2 294.301 0.681 20 30 CCEDLO C[N@H+](Cc1cncc(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000721583482 811235373 /nfs/dbraw/zinc/23/53/73/811235373.db2.gz UDLNRPWRSCNQLH-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000721583482 811235381 /nfs/dbraw/zinc/23/53/81/811235381.db2.gz UDLNRPWRSCNQLH-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(CC#N)C1 ZINC001267488432 811369204 /nfs/dbraw/zinc/36/92/04/811369204.db2.gz MAYJVYKBHCVQGY-ZDUSSCGKSA-N 1 2 289.383 0.799 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cccnc1 ZINC001267604726 811536317 /nfs/dbraw/zinc/53/63/17/811536317.db2.gz BVQAEHOGFAQVIE-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC[C@@H]2CCCO2)C1 ZINC001267637732 811599300 /nfs/dbraw/zinc/59/93/00/811599300.db2.gz YWVXZBXWZWOQTC-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOCC2CC2)C1 ZINC001267660458 811627192 /nfs/dbraw/zinc/62/71/92/811627192.db2.gz WDXUSTIWTCCGTE-CABCVRRESA-N 1 2 294.395 0.805 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001267676111 811639994 /nfs/dbraw/zinc/63/99/94/811639994.db2.gz CRRJOQBRALELOC-SNVBAGLBSA-N 1 2 292.339 0.027 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741040 811724179 /nfs/dbraw/zinc/72/41/79/811724179.db2.gz GIYIIYWBBJBLBB-CYBMUJFWSA-N 1 2 272.352 0.524 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741040 811724185 /nfs/dbraw/zinc/72/41/85/811724185.db2.gz GIYIIYWBBJBLBB-CYBMUJFWSA-N 1 2 272.352 0.524 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825734 811735174 /nfs/dbraw/zinc/73/51/74/811735174.db2.gz MRBGVKSWFKXAHB-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825617 811735347 /nfs/dbraw/zinc/73/53/47/811735347.db2.gz LHIMYERMCPVLDU-LLVKDONJSA-N 1 2 298.350 0.600 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267769179 811766364 /nfs/dbraw/zinc/76/63/64/811766364.db2.gz VCQGKINIDDOCQD-JTQLQIEISA-N 1 2 253.346 0.217 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267769179 811766370 /nfs/dbraw/zinc/76/63/70/811766370.db2.gz VCQGKINIDDOCQD-JTQLQIEISA-N 1 2 253.346 0.217 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001038369045 811822169 /nfs/dbraw/zinc/82/21/69/811822169.db2.gz XGHRNAHNWNIKQL-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001038369045 811822179 /nfs/dbraw/zinc/82/21/79/811822179.db2.gz XGHRNAHNWNIKQL-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(F)F)C2)nn1 ZINC001105129234 811851321 /nfs/dbraw/zinc/85/13/21/811851321.db2.gz QOLJDVKKSBOUOV-UHFFFAOYSA-N 1 2 283.282 0.039 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001077366716 815486134 /nfs/dbraw/zinc/48/61/34/815486134.db2.gz WYACBUVPMOZHNS-VXGBXAGGSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001077366716 815486140 /nfs/dbraw/zinc/48/61/40/815486140.db2.gz WYACBUVPMOZHNS-VXGBXAGGSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001077403060 815494032 /nfs/dbraw/zinc/49/40/32/815494032.db2.gz QROBUQSDRMTODR-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001077403060 815494037 /nfs/dbraw/zinc/49/40/37/815494037.db2.gz QROBUQSDRMTODR-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C[C@@H](CC(=O)NC[C@@H]1CN(CC#N)CCO1)n1cc[nH+]c1 ZINC001268027373 812008347 /nfs/dbraw/zinc/00/83/47/812008347.db2.gz VFXLXUIVZGCCFO-QWHCGFSZSA-N 1 2 291.355 0.175 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001268030131 812030729 /nfs/dbraw/zinc/03/07/29/812030729.db2.gz NDCJECGTQBGKDU-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001268030131 812030738 /nfs/dbraw/zinc/03/07/38/812030738.db2.gz NDCJECGTQBGKDU-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001027954349 812163746 /nfs/dbraw/zinc/16/37/46/812163746.db2.gz LGMJXBFIGSAMAG-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001027954349 812163751 /nfs/dbraw/zinc/16/37/51/812163751.db2.gz LGMJXBFIGSAMAG-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001038927956 812353780 /nfs/dbraw/zinc/35/37/80/812353780.db2.gz FNLSLFWVTYOASR-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001038927956 812353786 /nfs/dbraw/zinc/35/37/86/812353786.db2.gz FNLSLFWVTYOASR-OAHLLOKOSA-N 1 2 299.374 0.826 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C)CCC1 ZINC001268246106 812412689 /nfs/dbraw/zinc/41/26/89/812412689.db2.gz VWWFIUFPIBBJDJ-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C)CCC1 ZINC001268246106 812412693 /nfs/dbraw/zinc/41/26/93/812412693.db2.gz VWWFIUFPIBBJDJ-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000300263785 812526197 /nfs/dbraw/zinc/52/61/97/812526197.db2.gz XOOPKSGCBLFEEH-XQQFMLRXSA-N 1 2 256.346 0.634 20 30 CCEDLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000300263785 812526201 /nfs/dbraw/zinc/52/62/01/812526201.db2.gz XOOPKSGCBLFEEH-XQQFMLRXSA-N 1 2 256.346 0.634 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105366381 812639107 /nfs/dbraw/zinc/63/91/07/812639107.db2.gz LXDGWHARJDPWLJ-UHFFFAOYSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001127024119 815560268 /nfs/dbraw/zinc/56/02/68/815560268.db2.gz XSVDQZHHMMKPRP-SNVBAGLBSA-N 1 2 280.328 0.185 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835456 812914391 /nfs/dbraw/zinc/91/43/91/812914391.db2.gz DDZGFKJWQMFXDG-ZIAGYGMSSA-N 1 2 291.351 0.094 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835456 812914395 /nfs/dbraw/zinc/91/43/95/812914395.db2.gz DDZGFKJWQMFXDG-ZIAGYGMSSA-N 1 2 291.351 0.094 20 30 CCEDLO C[C@@H](CN(C)CC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268736627 813050798 /nfs/dbraw/zinc/05/07/98/813050798.db2.gz VDUOYCPYQBTYSB-NWDGAFQWSA-N 1 2 275.356 0.406 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)COC(C)(C)C)C1 ZINC001268822530 813104205 /nfs/dbraw/zinc/10/42/05/813104205.db2.gz INBGFVOHUKJCOQ-UHFFFAOYSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(C)(=O)=O ZINC001268926606 813147836 /nfs/dbraw/zinc/14/78/36/813147836.db2.gz KUTGDLBOCKCVPT-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(C)(=O)=O ZINC001268926606 813147841 /nfs/dbraw/zinc/14/78/41/813147841.db2.gz KUTGDLBOCKCVPT-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO CCC#CC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001268951066 813155905 /nfs/dbraw/zinc/15/59/05/813155905.db2.gz AXSUCNSVKBLMSS-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001269108015 813219586 /nfs/dbraw/zinc/21/95/86/813219586.db2.gz CHCQQVRQWADEGI-LLVKDONJSA-N 1 2 293.396 0.367 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001269108015 813219593 /nfs/dbraw/zinc/21/95/93/813219593.db2.gz CHCQQVRQWADEGI-LLVKDONJSA-N 1 2 293.396 0.367 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001269223991 813273786 /nfs/dbraw/zinc/27/37/86/813273786.db2.gz SKBIHKDLPOZIIS-LSDHHAIUSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001269223991 813273794 /nfs/dbraw/zinc/27/37/94/813273794.db2.gz SKBIHKDLPOZIIS-LSDHHAIUSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)COC ZINC001269326602 813325733 /nfs/dbraw/zinc/32/57/33/813325733.db2.gz LEYGLNPQWSGZLG-KGLIPLIRSA-N 1 2 282.384 0.499 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)COC ZINC001269326602 813325736 /nfs/dbraw/zinc/32/57/36/813325736.db2.gz LEYGLNPQWSGZLG-KGLIPLIRSA-N 1 2 282.384 0.499 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001269331447 813329274 /nfs/dbraw/zinc/32/92/74/813329274.db2.gz KIPUHAWMWMMDML-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001269331447 813329281 /nfs/dbraw/zinc/32/92/81/813329281.db2.gz KIPUHAWMWMMDML-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO C=CCCC(=O)N[C@@](C)(C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001269605062 813443619 /nfs/dbraw/zinc/44/36/19/813443619.db2.gz FIPDLNOACIGUMB-AWEZNQCLSA-N 1 2 292.387 0.551 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270577711 813820856 /nfs/dbraw/zinc/82/08/56/813820856.db2.gz SIVHNXSCHBWKIC-IUODEOHRSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270577711 813820866 /nfs/dbraw/zinc/82/08/66/813820866.db2.gz SIVHNXSCHBWKIC-IUODEOHRSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)COCCOC)C1 ZINC001270629507 813854258 /nfs/dbraw/zinc/85/42/58/813854258.db2.gz QDDBULBWLAVXRE-CYBMUJFWSA-N 1 2 286.372 0.043 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)COCCOC)C1 ZINC001270629507 813854266 /nfs/dbraw/zinc/85/42/66/813854266.db2.gz QDDBULBWLAVXRE-CYBMUJFWSA-N 1 2 286.372 0.043 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001270628610 813854410 /nfs/dbraw/zinc/85/44/10/813854410.db2.gz HFENJRMYLPNLAJ-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001270628610 813854416 /nfs/dbraw/zinc/85/44/16/813854416.db2.gz HFENJRMYLPNLAJ-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)COc2cc(C)on2)C1 ZINC001270657642 813875055 /nfs/dbraw/zinc/87/50/55/813875055.db2.gz LHMRXQXVWAOQLQ-GFCCVEGCSA-N 1 2 295.339 0.365 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)COc2cc(C)on2)C1 ZINC001270657642 813875066 /nfs/dbraw/zinc/87/50/66/813875066.db2.gz LHMRXQXVWAOQLQ-GFCCVEGCSA-N 1 2 295.339 0.365 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038431131 813939778 /nfs/dbraw/zinc/93/97/78/813939778.db2.gz GXXDDALRTVMVLW-ZDUSSCGKSA-N 1 2 278.331 0.680 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001038431131 813939785 /nfs/dbraw/zinc/93/97/85/813939785.db2.gz GXXDDALRTVMVLW-ZDUSSCGKSA-N 1 2 278.331 0.680 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@H](OC)C1 ZINC001211859544 813979260 /nfs/dbraw/zinc/97/92/60/813979260.db2.gz JVCZJXQGJANYCJ-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@H](OC)C1 ZINC001211859544 813979263 /nfs/dbraw/zinc/97/92/63/813979263.db2.gz JVCZJXQGJANYCJ-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001059250456 814009969 /nfs/dbraw/zinc/00/99/69/814009969.db2.gz XBGLNPRTEUDUEB-HDJSIYSDSA-N 1 2 296.334 0.909 20 30 CCEDLO C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)CSCC#N ZINC001270896563 814055864 /nfs/dbraw/zinc/05/58/64/814055864.db2.gz SLSMRSQYNYIJII-VIFPVBQESA-N 1 2 299.425 0.731 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1CC ZINC001087584722 814171508 /nfs/dbraw/zinc/17/15/08/814171508.db2.gz UFMWBMYTTVULNO-QWHCGFSZSA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1CC ZINC001087584722 814171514 /nfs/dbraw/zinc/17/15/14/814171514.db2.gz UFMWBMYTTVULNO-QWHCGFSZSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029421445 814217272 /nfs/dbraw/zinc/21/72/72/814217272.db2.gz ACEBJWTYZOFETE-TXEJJXNPSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029421445 814217278 /nfs/dbraw/zinc/21/72/78/814217278.db2.gz ACEBJWTYZOFETE-TXEJJXNPSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001075828207 814289514 /nfs/dbraw/zinc/28/95/14/814289514.db2.gz DZJRHYRIHQBHRJ-SMDDNHRTSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001075828207 814289523 /nfs/dbraw/zinc/28/95/23/814289523.db2.gz DZJRHYRIHQBHRJ-SMDDNHRTSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CCCCCCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001271336123 814383439 /nfs/dbraw/zinc/38/34/39/814383439.db2.gz WXADSJTYNKOQMT-ZDUSSCGKSA-N 1 2 282.384 0.114 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001271349483 814388047 /nfs/dbraw/zinc/38/80/47/814388047.db2.gz GWEJRHXFPPVPKS-QWHCGFSZSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001271368763 814393947 /nfs/dbraw/zinc/39/39/47/814393947.db2.gz XTSAIIDEDBOOSS-QWHCGFSZSA-N 1 2 264.369 0.772 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCCOC(C)C)C1 ZINC001271401050 814405434 /nfs/dbraw/zinc/40/54/34/814405434.db2.gz WSCOMZYVGNMNII-UHFFFAOYSA-N 1 2 284.400 0.931 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001075845601 814446298 /nfs/dbraw/zinc/44/62/98/814446298.db2.gz LUQMNPMFRYAGKK-WDEREUQCSA-N 1 2 261.350 0.923 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001075845601 814446303 /nfs/dbraw/zinc/44/63/03/814446303.db2.gz LUQMNPMFRYAGKK-WDEREUQCSA-N 1 2 261.350 0.923 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083649353 815606732 /nfs/dbraw/zinc/60/67/32/815606732.db2.gz UDTRQKUIAKKBHH-OLZOCXBDSA-N 1 2 299.330 0.626 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083649353 815606737 /nfs/dbraw/zinc/60/67/37/815606737.db2.gz UDTRQKUIAKKBHH-OLZOCXBDSA-N 1 2 299.330 0.626 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C ZINC001271957141 814650848 /nfs/dbraw/zinc/65/08/48/814650848.db2.gz JKZMCZWAPTVMIB-VXGBXAGGSA-N 1 2 267.373 0.335 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C ZINC001271957141 814650854 /nfs/dbraw/zinc/65/08/54/814650854.db2.gz JKZMCZWAPTVMIB-VXGBXAGGSA-N 1 2 267.373 0.335 20 30 CCEDLO N#CCN[C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404789 814674568 /nfs/dbraw/zinc/67/45/68/814674568.db2.gz GSPIYDBOLFPWCX-GFCCVEGCSA-N 1 2 275.356 0.837 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001059665665 814698524 /nfs/dbraw/zinc/69/85/24/814698524.db2.gz GQCGVMIRASEBAF-PHIMTYICSA-N 1 2 297.322 0.304 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001127039615 815590291 /nfs/dbraw/zinc/59/02/91/815590291.db2.gz NAZZPMWGVHJNMS-LBPRGKRZSA-N 1 2 279.340 0.536 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cnccc3c2)[C@@H](O)C1 ZINC001083644123 815591100 /nfs/dbraw/zinc/59/11/00/815591100.db2.gz QDXXYWLEXQWSEF-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cnccc3c2)[C@@H](O)C1 ZINC001083644123 815591107 /nfs/dbraw/zinc/59/11/07/815591107.db2.gz QDXXYWLEXQWSEF-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030223479 815907759 /nfs/dbraw/zinc/90/77/59/815907759.db2.gz XMCYJIWFRXHSQI-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105890501 815953625 /nfs/dbraw/zinc/95/36/25/815953625.db2.gz RXRFWIXESQJHHF-LBPRGKRZSA-N 1 2 294.355 0.267 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001030388836 816008395 /nfs/dbraw/zinc/00/83/95/816008395.db2.gz ZZSDKYVRTJGHEO-GFCCVEGCSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001030391380 816010210 /nfs/dbraw/zinc/01/02/10/816010210.db2.gz BVWAADXIGLQSLT-OLZOCXBDSA-N 1 2 250.342 0.768 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001030391382 816010699 /nfs/dbraw/zinc/01/06/99/816010699.db2.gz BVWAADXIGLQSLT-STQMWFEESA-N 1 2 250.342 0.768 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001030425750 816031899 /nfs/dbraw/zinc/03/18/99/816031899.db2.gz OPHQMXXOAFEAHL-JSGCOSHPSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc3ncn(C)c32)C1 ZINC001030469996 816052507 /nfs/dbraw/zinc/05/25/07/816052507.db2.gz SKMYXXOBLFQYMQ-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001030521267 816085213 /nfs/dbraw/zinc/08/52/13/816085213.db2.gz CUOJLEILLMIWBP-LBPRGKRZSA-N 1 2 286.379 0.903 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001030537663 816094719 /nfs/dbraw/zinc/09/47/19/816094719.db2.gz DIXLXKQSAHNXAJ-UHFFFAOYSA-N 1 2 298.346 0.685 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001030668715 816199084 /nfs/dbraw/zinc/19/90/84/816199084.db2.gz RXTKSURWGJMGFY-LSDHHAIUSA-N 1 2 276.380 0.873 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OCC)C1 ZINC001030692172 816224495 /nfs/dbraw/zinc/22/44/95/816224495.db2.gz AXTJLUQEYMNDFM-ZFWWWQNUSA-N 1 2 294.395 0.642 20 30 CCEDLO CC1CC(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046018813 816289085 /nfs/dbraw/zinc/28/90/85/816289085.db2.gz BIVDWIIAZSXECY-YMAMQOFZSA-N 1 2 290.411 0.775 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001077499466 816302513 /nfs/dbraw/zinc/30/25/13/816302513.db2.gz IKROCHUXNCWOFW-VXGBXAGGSA-N 1 2 294.376 0.555 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001077499466 816302518 /nfs/dbraw/zinc/30/25/18/816302518.db2.gz IKROCHUXNCWOFW-VXGBXAGGSA-N 1 2 294.376 0.555 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001030838358 816332760 /nfs/dbraw/zinc/33/27/60/816332760.db2.gz SUNVEKRVLUEVPW-NSHDSACASA-N 1 2 258.325 0.404 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001030847181 816341190 /nfs/dbraw/zinc/34/11/90/816341190.db2.gz DKLOOWNAERFKJL-UHFFFAOYSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001233761322 816404656 /nfs/dbraw/zinc/40/46/56/816404656.db2.gz IMPZMWNBOFGVNL-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001233761322 816404658 /nfs/dbraw/zinc/40/46/58/816404658.db2.gz IMPZMWNBOFGVNL-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233977784 816456897 /nfs/dbraw/zinc/45/68/97/816456897.db2.gz PDDUFLWUBUSVLF-YPMHNXCESA-N 1 2 258.337 0.816 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233977784 816456904 /nfs/dbraw/zinc/45/69/04/816456904.db2.gz PDDUFLWUBUSVLF-YPMHNXCESA-N 1 2 258.337 0.816 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@@H](O)C1 ZINC001083694152 816448044 /nfs/dbraw/zinc/44/80/44/816448044.db2.gz KPVDWVZXAPQVMK-MNOVXSKESA-N 1 2 282.365 0.718 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@@H](O)C1 ZINC001083694152 816448046 /nfs/dbraw/zinc/44/80/46/816448046.db2.gz KPVDWVZXAPQVMK-MNOVXSKESA-N 1 2 282.365 0.718 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083701807 816472635 /nfs/dbraw/zinc/47/26/35/816472635.db2.gz ZUCGTNLBURXPRV-DZUCGIPZSA-N 1 2 298.386 0.855 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083701807 816472638 /nfs/dbraw/zinc/47/26/38/816472638.db2.gz ZUCGTNLBURXPRV-DZUCGIPZSA-N 1 2 298.386 0.855 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001031033212 816585091 /nfs/dbraw/zinc/58/50/91/816585091.db2.gz ZBPCITMZVVSEQS-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001031060806 816617633 /nfs/dbraw/zinc/61/76/33/816617633.db2.gz KGROIQOTWDXVQB-UHFFFAOYSA-N 1 2 286.335 0.497 20 30 CCEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCCO)C2)cc1 ZINC001031066678 816620841 /nfs/dbraw/zinc/62/08/41/816620841.db2.gz JVWYZBYROIZRJS-UHFFFAOYSA-N 1 2 288.347 0.495 20 30 CCEDLO Cc1cccn2cc(CC(=O)NC3CN(CC#N)C3)[nH+]c12 ZINC001031102710 816649310 /nfs/dbraw/zinc/64/93/10/816649310.db2.gz KWJFWHZXQUVJOZ-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2nc3ncccn3n2)C1 ZINC001031125256 816671538 /nfs/dbraw/zinc/67/15/38/816671538.db2.gz ISHASQJKAXUSHD-UHFFFAOYSA-N 1 2 272.312 0.114 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699455494 816728661 /nfs/dbraw/zinc/72/86/61/816728661.db2.gz IOMYOOLMVXBCPK-GJZGRUSLSA-N 1 2 275.352 0.200 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699455494 816728667 /nfs/dbraw/zinc/72/86/67/816728667.db2.gz IOMYOOLMVXBCPK-GJZGRUSLSA-N 1 2 275.352 0.200 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2csc(COC)n2)C1 ZINC001031226002 816849362 /nfs/dbraw/zinc/84/93/62/816849362.db2.gz XKYSOEFAEWDBBH-UHFFFAOYSA-N 1 2 293.392 0.656 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)Cn2ccnc2C)C1 ZINC001031392159 817024459 /nfs/dbraw/zinc/02/44/59/817024459.db2.gz YLXOTNJXNPIPBZ-UHFFFAOYSA-N 1 2 262.357 0.958 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NC)cc1 ZINC001038580903 817039989 /nfs/dbraw/zinc/03/99/89/817039989.db2.gz FBCNXGOBDXTFSF-WFASDCNBSA-N 1 2 299.374 0.607 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NC)cc1 ZINC001038580903 817039997 /nfs/dbraw/zinc/03/99/97/817039997.db2.gz FBCNXGOBDXTFSF-WFASDCNBSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001031460667 817065151 /nfs/dbraw/zinc/06/51/51/817065151.db2.gz FFIJZODXZOKBMJ-UHFFFAOYSA-N 1 2 285.347 0.152 20 30 CCEDLO C=CCn1cccc1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031733045 817297039 /nfs/dbraw/zinc/29/70/39/817297039.db2.gz KBMXLJMRWHPLMO-NSHDSACASA-N 1 2 290.367 0.210 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)cc1 ZINC001031891888 817446024 /nfs/dbraw/zinc/44/60/24/817446024.db2.gz DAUARAQYCDMYAX-NSHDSACASA-N 1 2 285.347 0.203 20 30 CCEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106962119 817514332 /nfs/dbraw/zinc/51/43/32/817514332.db2.gz YLZWAZXZEFVPLL-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237525626 817520512 /nfs/dbraw/zinc/52/05/12/817520512.db2.gz SUZWFLONPOVJEB-ZWNOBZJWSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237525626 817520518 /nfs/dbraw/zinc/52/05/18/817520518.db2.gz SUZWFLONPOVJEB-ZWNOBZJWSA-N 1 2 268.263 0.621 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccn1 ZINC001032257659 817759989 /nfs/dbraw/zinc/75/99/89/817759989.db2.gz IBAFVQKINHSVDD-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccn1 ZINC001032257659 817759996 /nfs/dbraw/zinc/75/99/96/817759996.db2.gz IBAFVQKINHSVDD-RYUDHWBXSA-N 1 2 256.309 0.399 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n[nH]1 ZINC001032286153 817781992 /nfs/dbraw/zinc/78/19/92/817781992.db2.gz WQUAQXLGRATSHD-RYUDHWBXSA-N 1 2 258.325 0.504 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n[nH]1 ZINC001032286153 817781996 /nfs/dbraw/zinc/78/19/96/817781996.db2.gz WQUAQXLGRATSHD-RYUDHWBXSA-N 1 2 258.325 0.504 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCO1 ZINC001032291627 817787042 /nfs/dbraw/zinc/78/70/42/817787042.db2.gz PAPXTHYWUXFOPF-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCO1 ZINC001032291627 817787047 /nfs/dbraw/zinc/78/70/47/817787047.db2.gz PAPXTHYWUXFOPF-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107345698 817840332 /nfs/dbraw/zinc/84/03/32/817840332.db2.gz FJUSUQFXVRNUCE-FYJFLYSWSA-N 1 2 288.351 0.908 20 30 CCEDLO N#Cc1nccnc1NCC=CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539407 817877266 /nfs/dbraw/zinc/87/72/66/817877266.db2.gz LPDLHUPFNALRKT-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107736462 817974475 /nfs/dbraw/zinc/97/44/75/817974475.db2.gz WDDIRKOEHSBAJF-MRXNPFEDSA-N 1 2 294.395 0.976 20 30 CCEDLO C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107736462 817974483 /nfs/dbraw/zinc/97/44/83/817974483.db2.gz WDDIRKOEHSBAJF-MRXNPFEDSA-N 1 2 294.395 0.976 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccon2)C1 ZINC001107773383 818000688 /nfs/dbraw/zinc/00/06/88/818000688.db2.gz MKMQORNZNNWCIT-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccon2)C1 ZINC001107773383 818000694 /nfs/dbraw/zinc/00/06/94/818000694.db2.gz MKMQORNZNNWCIT-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089998053 818240774 /nfs/dbraw/zinc/24/07/74/818240774.db2.gz TUBZNMUGMCQUED-DTWKUNHWSA-N 1 2 282.718 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001089998053 818240763 /nfs/dbraw/zinc/24/07/63/818240763.db2.gz TUBZNMUGMCQUED-DTWKUNHWSA-N 1 2 282.718 0.946 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](O)C1 ZINC001083818098 818241599 /nfs/dbraw/zinc/24/15/99/818241599.db2.gz PVAOGWJQVONCQZ-OLZOCXBDSA-N 1 2 261.325 0.040 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](O)C1 ZINC001083818098 818241606 /nfs/dbraw/zinc/24/16/06/818241606.db2.gz PVAOGWJQVONCQZ-OLZOCXBDSA-N 1 2 261.325 0.040 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H](O)C1 ZINC001083831169 818524633 /nfs/dbraw/zinc/52/46/33/818524633.db2.gz ZYYCXJHQVKWTKC-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H](O)C1 ZINC001083831169 818524640 /nfs/dbraw/zinc/52/46/40/818524640.db2.gz ZYYCXJHQVKWTKC-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC#N)C1 ZINC001033206846 818648763 /nfs/dbraw/zinc/64/87/63/818648763.db2.gz LDSHHPAZMXXCPL-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001033219439 818658472 /nfs/dbraw/zinc/65/84/72/818658472.db2.gz BHDHDZOKHSVACF-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001033219439 818658476 /nfs/dbraw/zinc/65/84/76/818658476.db2.gz BHDHDZOKHSVACF-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751454 818668628 /nfs/dbraw/zinc/66/86/28/818668628.db2.gz TXPKFEXAVRIPEN-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCN(CC#N)C1 ZINC001033861502 818969948 /nfs/dbraw/zinc/96/99/48/818969948.db2.gz KENMOFHFGBXYSF-YNEHKIRRSA-N 1 2 287.367 0.960 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033861502 818969953 /nfs/dbraw/zinc/96/99/53/818969953.db2.gz KENMOFHFGBXYSF-YNEHKIRRSA-N 1 2 287.367 0.960 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033921566 818996037 /nfs/dbraw/zinc/99/60/37/818996037.db2.gz BXPMBVAKBTXDRY-LBPRGKRZSA-N 1 2 275.356 0.673 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033921566 818996042 /nfs/dbraw/zinc/99/60/42/818996042.db2.gz BXPMBVAKBTXDRY-LBPRGKRZSA-N 1 2 275.356 0.673 20 30 CCEDLO N#Cc1c2ccccc2cnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168756288 819293420 /nfs/dbraw/zinc/29/34/20/819293420.db2.gz OMGPXCCJNWLGTN-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC001034732197 819313449 /nfs/dbraw/zinc/31/34/49/819313449.db2.gz GZDKUNRFATWQBI-MGCOHNPYSA-N 1 2 264.304 0.813 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108158827 819330749 /nfs/dbraw/zinc/33/07/49/819330749.db2.gz LXXSLAQZOOVAOA-ZIAGYGMSSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108158827 819330753 /nfs/dbraw/zinc/33/07/53/819330753.db2.gz LXXSLAQZOOVAOA-ZIAGYGMSSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035322695 819470972 /nfs/dbraw/zinc/47/09/72/819470972.db2.gz FQBBMKJQCWGVQL-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035322695 819470976 /nfs/dbraw/zinc/47/09/76/819470976.db2.gz FQBBMKJQCWGVQL-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035333010 819476952 /nfs/dbraw/zinc/47/69/52/819476952.db2.gz YTGDJCZIHSFWTL-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001035333010 819476956 /nfs/dbraw/zinc/47/69/56/819476956.db2.gz YTGDJCZIHSFWTL-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035337137 819479048 /nfs/dbraw/zinc/47/90/48/819479048.db2.gz QCUNNITUCLIBPK-AWEZNQCLSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035337137 819479053 /nfs/dbraw/zinc/47/90/53/819479053.db2.gz QCUNNITUCLIBPK-AWEZNQCLSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001035346212 819485575 /nfs/dbraw/zinc/48/55/75/819485575.db2.gz GOTDQFSBHMBJES-ZDUSSCGKSA-N 1 2 266.341 0.336 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001035346212 819485578 /nfs/dbraw/zinc/48/55/78/819485578.db2.gz GOTDQFSBHMBJES-ZDUSSCGKSA-N 1 2 266.341 0.336 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001035358166 819498818 /nfs/dbraw/zinc/49/88/18/819498818.db2.gz OEGNMHOUKLOULC-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001035358166 819498820 /nfs/dbraw/zinc/49/88/20/819498820.db2.gz OEGNMHOUKLOULC-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035511180 819544842 /nfs/dbraw/zinc/54/48/42/819544842.db2.gz CLQKTRPAVURTGQ-MGPQQGTHSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035511180 819544845 /nfs/dbraw/zinc/54/48/45/819544845.db2.gz CLQKTRPAVURTGQ-MGPQQGTHSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035551148 819564385 /nfs/dbraw/zinc/56/43/85/819564385.db2.gz DTMDESVRMYBWJL-SNVBAGLBSA-N 1 2 266.301 0.076 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnon2)C1 ZINC001035551148 819564390 /nfs/dbraw/zinc/56/43/90/819564390.db2.gz DTMDESVRMYBWJL-SNVBAGLBSA-N 1 2 266.301 0.076 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2F)C1 ZINC001035557923 819568511 /nfs/dbraw/zinc/56/85/11/819568511.db2.gz KGQGFPPHRHLVBO-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ncccc2F)C1 ZINC001035557923 819568517 /nfs/dbraw/zinc/56/85/17/819568517.db2.gz KGQGFPPHRHLVBO-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001035628125 819584003 /nfs/dbraw/zinc/58/40/03/819584003.db2.gz SHFMLPMETVDHJA-CYBMUJFWSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001035628125 819584009 /nfs/dbraw/zinc/58/40/09/819584009.db2.gz SHFMLPMETVDHJA-CYBMUJFWSA-N 1 2 292.383 0.599 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)CCc1cnn[nH]1)CC2 ZINC001035798549 819626350 /nfs/dbraw/zinc/62/63/50/819626350.db2.gz PCPJCTCXTOLGGY-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)CCc1cnn[nH]1)CC2 ZINC001035798300 819626632 /nfs/dbraw/zinc/62/66/32/819626632.db2.gz LTCXXVCTSNOUSJ-UHFFFAOYSA-N 1 2 289.383 0.848 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H](O)C1 ZINC001083903001 820208029 /nfs/dbraw/zinc/20/80/29/820208029.db2.gz KXBHPZWNZRZTSP-KGLIPLIRSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H](O)C1 ZINC001083903001 820208035 /nfs/dbraw/zinc/20/80/35/820208035.db2.gz KXBHPZWNZRZTSP-KGLIPLIRSA-N 1 2 273.336 0.300 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001083918704 820258448 /nfs/dbraw/zinc/25/84/48/820258448.db2.gz UMOOBNGNNGCLMW-OLZOCXBDSA-N 1 2 282.359 0.843 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001083918704 820258453 /nfs/dbraw/zinc/25/84/53/820258453.db2.gz UMOOBNGNNGCLMW-OLZOCXBDSA-N 1 2 282.359 0.843 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001079889658 820485036 /nfs/dbraw/zinc/48/50/36/820485036.db2.gz KKDHKXYYWSBBJF-PRULPYPASA-N 1 2 273.340 0.473 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001079889658 820485039 /nfs/dbraw/zinc/48/50/39/820485039.db2.gz KKDHKXYYWSBBJF-PRULPYPASA-N 1 2 273.340 0.473 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001080027704 820503699 /nfs/dbraw/zinc/50/36/99/820503699.db2.gz WQMZHMMLNXDLRM-ZWNOBZJWSA-N 1 2 272.352 0.582 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001080027704 820503702 /nfs/dbraw/zinc/50/37/02/820503702.db2.gz WQMZHMMLNXDLRM-ZWNOBZJWSA-N 1 2 272.352 0.582 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001081372671 820748692 /nfs/dbraw/zinc/74/86/92/820748692.db2.gz PNYYEEGOZHTHPQ-CHWSQXEVSA-N 1 2 276.340 0.034 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001081372671 820748697 /nfs/dbraw/zinc/74/86/97/820748697.db2.gz PNYYEEGOZHTHPQ-CHWSQXEVSA-N 1 2 276.340 0.034 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@H](OC)C1 ZINC001081389860 820753211 /nfs/dbraw/zinc/75/32/11/820753211.db2.gz FUCRYNQIZNWKEF-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@H](OC)C1 ZINC001081389860 820753213 /nfs/dbraw/zinc/75/32/13/820753213.db2.gz FUCRYNQIZNWKEF-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@H](OC)C1 ZINC001081430113 820765253 /nfs/dbraw/zinc/76/52/53/820765253.db2.gz JFIIIYUYKVOKFY-VXGBXAGGSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@H](OC)C1 ZINC001081430113 820765261 /nfs/dbraw/zinc/76/52/61/820765261.db2.gz JFIIIYUYKVOKFY-VXGBXAGGSA-N 1 2 293.392 0.904 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@H](OC)C1 ZINC001081686853 820819469 /nfs/dbraw/zinc/81/94/69/820819469.db2.gz JODOHJPNULPGRT-NXEZZACHSA-N 1 2 297.380 0.767 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@H](OC)C1 ZINC001081686853 820819485 /nfs/dbraw/zinc/81/94/85/820819485.db2.gz JODOHJPNULPGRT-NXEZZACHSA-N 1 2 297.380 0.767 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@H](OC)C1 ZINC001081740443 820824938 /nfs/dbraw/zinc/82/49/38/820824938.db2.gz DTMPCHSSFBXRAA-TZMCWYRMSA-N 1 2 290.367 0.355 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@H](OC)C1 ZINC001081740443 820824950 /nfs/dbraw/zinc/82/49/50/820824950.db2.gz DTMPCHSSFBXRAA-TZMCWYRMSA-N 1 2 290.367 0.355 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@H](OC)C1 ZINC001082305704 820935149 /nfs/dbraw/zinc/93/51/49/820935149.db2.gz GOSYDOXCPZGMOU-PSASIEDQSA-N 1 2 299.783 0.859 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)[C@H](OC)C1 ZINC001082305704 820935154 /nfs/dbraw/zinc/93/51/54/820935154.db2.gz GOSYDOXCPZGMOU-PSASIEDQSA-N 1 2 299.783 0.859 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)n[nH]3)[C@H]2C1 ZINC001083007417 821103070 /nfs/dbraw/zinc/10/30/70/821103070.db2.gz XRLDTZLSYAQMSM-UONOGXRCSA-N 1 2 288.351 0.131 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)n[nH]3)[C@H]2C1 ZINC001083007417 821103074 /nfs/dbraw/zinc/10/30/74/821103074.db2.gz XRLDTZLSYAQMSM-UONOGXRCSA-N 1 2 288.351 0.131 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@](C)(O)C3CC3)[C@H]2C1 ZINC001083055577 821128101 /nfs/dbraw/zinc/12/81/01/821128101.db2.gz OFLFNLNWCSLWAV-SQWLQELKSA-N 1 2 292.379 0.082 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@](C)(O)C3CC3)[C@H]2C1 ZINC001083055577 821128109 /nfs/dbraw/zinc/12/81/09/821128109.db2.gz OFLFNLNWCSLWAV-SQWLQELKSA-N 1 2 292.379 0.082 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC3(C)C)[C@H]2C1 ZINC001083053793 821129334 /nfs/dbraw/zinc/12/93/34/821129334.db2.gz LYHYAWASZSRFAH-FRRDWIJNSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC3(C)C)[C@H]2C1 ZINC001083053793 821129340 /nfs/dbraw/zinc/12/93/40/821129340.db2.gz LYHYAWASZSRFAH-FRRDWIJNSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cncs3)[C@H]2C1 ZINC001083113311 821134878 /nfs/dbraw/zinc/13/48/78/821134878.db2.gz UJFDEAREFXMOMI-QWHCGFSZSA-N 1 2 291.376 0.230 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cncs3)[C@H]2C1 ZINC001083113311 821134880 /nfs/dbraw/zinc/13/48/80/821134880.db2.gz UJFDEAREFXMOMI-QWHCGFSZSA-N 1 2 291.376 0.230 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3CC)[C@H]2C1 ZINC001083149356 821146508 /nfs/dbraw/zinc/14/65/08/821146508.db2.gz MLCCTECWYSWPEG-CBBWQLFWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3CC)[C@H]2C1 ZINC001083149356 821146512 /nfs/dbraw/zinc/14/65/12/821146512.db2.gz MLCCTECWYSWPEG-CBBWQLFWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3=CCOCC3)[C@H]2C1 ZINC001083183859 821159692 /nfs/dbraw/zinc/15/96/92/821159692.db2.gz ACVBKTVZCJNSQJ-LSDHHAIUSA-N 1 2 290.363 0.268 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3=CCOCC3)[C@H]2C1 ZINC001083183859 821159696 /nfs/dbraw/zinc/15/96/96/821159696.db2.gz ACVBKTVZCJNSQJ-LSDHHAIUSA-N 1 2 290.363 0.268 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230555992 821433292 /nfs/dbraw/zinc/43/32/92/821433292.db2.gz ARSWZHFZBKQLHS-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230555992 821433297 /nfs/dbraw/zinc/43/32/97/821433297.db2.gz ARSWZHFZBKQLHS-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000712275669 821433351 /nfs/dbraw/zinc/43/33/51/821433351.db2.gz ANRKDBKOFLJARD-NSHDSACASA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000712275669 821433355 /nfs/dbraw/zinc/43/33/55/821433355.db2.gz ANRKDBKOFLJARD-NSHDSACASA-N 1 2 283.328 0.680 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000820375106 821441304 /nfs/dbraw/zinc/44/13/04/821441304.db2.gz DTKVRWJDYVBMMG-CQSZACIVSA-N 1 2 288.347 0.447 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000820375106 821441308 /nfs/dbraw/zinc/44/13/08/821441308.db2.gz DTKVRWJDYVBMMG-CQSZACIVSA-N 1 2 288.347 0.447 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230818984 821452556 /nfs/dbraw/zinc/45/25/56/821452556.db2.gz JNTRMLRGPZXRPS-WDEREUQCSA-N 1 2 298.412 0.040 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230818984 821452560 /nfs/dbraw/zinc/45/25/60/821452560.db2.gz JNTRMLRGPZXRPS-WDEREUQCSA-N 1 2 298.412 0.040 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231245746 821512185 /nfs/dbraw/zinc/51/21/85/821512185.db2.gz AUYUBXRHEXMHAE-YPMHNXCESA-N 1 2 292.383 0.300 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231245746 821512189 /nfs/dbraw/zinc/51/21/89/821512189.db2.gz AUYUBXRHEXMHAE-YPMHNXCESA-N 1 2 292.383 0.300 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085615020 821854376 /nfs/dbraw/zinc/85/43/76/821854376.db2.gz AMYCYSJBCMWVRB-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085615020 821854390 /nfs/dbraw/zinc/85/43/90/821854390.db2.gz AMYCYSJBCMWVRB-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085642095 821867006 /nfs/dbraw/zinc/86/70/06/821867006.db2.gz DQAUTTKCNCZNNH-LLVKDONJSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085642095 821867011 /nfs/dbraw/zinc/86/70/11/821867011.db2.gz DQAUTTKCNCZNNH-LLVKDONJSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688284 821899970 /nfs/dbraw/zinc/89/99/70/821899970.db2.gz GPXDUJXRAYSBIJ-ZDUSSCGKSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688284 821899978 /nfs/dbraw/zinc/89/99/78/821899978.db2.gz GPXDUJXRAYSBIJ-ZDUSSCGKSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085713339 821914309 /nfs/dbraw/zinc/91/43/09/821914309.db2.gz IBNFNRYBWMQYCW-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085713339 821914313 /nfs/dbraw/zinc/91/43/13/821914313.db2.gz IBNFNRYBWMQYCW-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085716477 821916655 /nfs/dbraw/zinc/91/66/55/821916655.db2.gz MVTRSIFCQMFRKV-GFCCVEGCSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085716477 821916657 /nfs/dbraw/zinc/91/66/57/821916657.db2.gz MVTRSIFCQMFRKV-GFCCVEGCSA-N 1 2 275.352 0.718 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CCOC)n1 ZINC001085715607 821918091 /nfs/dbraw/zinc/91/80/91/821918091.db2.gz OTQYPDNZVKANDO-CYBMUJFWSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CCOC)n1 ZINC001085715607 821918095 /nfs/dbraw/zinc/91/80/95/821918095.db2.gz OTQYPDNZVKANDO-CYBMUJFWSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085745491 821925855 /nfs/dbraw/zinc/92/58/55/821925855.db2.gz IUQVZODQPXPOSC-JTQLQIEISA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(OC)n1 ZINC001085745491 821925858 /nfs/dbraw/zinc/92/58/58/821925858.db2.gz IUQVZODQPXPOSC-JTQLQIEISA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccn2ccnc12 ZINC001085824202 821971960 /nfs/dbraw/zinc/97/19/60/821971960.db2.gz CLKPHEYFSDUVPA-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccn2ccnc12 ZINC001085824202 821971968 /nfs/dbraw/zinc/97/19/68/821971968.db2.gz CLKPHEYFSDUVPA-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475484 822272144 /nfs/dbraw/zinc/27/21/44/822272144.db2.gz YCTCTKUWXSUVKL-SRVKXCTJSA-N 1 2 287.367 0.838 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncn[nH]2)C1 ZINC001108287154 822304669 /nfs/dbraw/zinc/30/46/69/822304669.db2.gz MOOWYQSWZSNTPR-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2ncn[nH]2)C1 ZINC001108287154 822304680 /nfs/dbraw/zinc/30/46/80/822304680.db2.gz MOOWYQSWZSNTPR-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287154 822304690 /nfs/dbraw/zinc/30/46/90/822304690.db2.gz MOOWYQSWZSNTPR-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287154 822304703 /nfs/dbraw/zinc/30/47/03/822304703.db2.gz MOOWYQSWZSNTPR-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114025025 837414182 /nfs/dbraw/zinc/41/41/82/837414182.db2.gz HXVWEOGSQFDQRI-PJXYFTJBSA-N 1 2 262.313 0.582 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114025025 837414185 /nfs/dbraw/zinc/41/41/85/837414185.db2.gz HXVWEOGSQFDQRI-PJXYFTJBSA-N 1 2 262.313 0.582 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(Cl)nc1C#N ZINC001157770988 837418884 /nfs/dbraw/zinc/41/88/84/837418884.db2.gz XNEHCIHQMSBXFY-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(Cl)nc1C#N ZINC001157770988 837418890 /nfs/dbraw/zinc/41/88/90/837418890.db2.gz XNEHCIHQMSBXFY-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO C#Cc1cc(NC([O-])=c2cc[nH+]c3c2=CC=N3)cc[nH+]1 ZINC001183582478 844045904 /nfs/dbraw/zinc/04/59/04/844045904.db2.gz RHIDZASAQMOICQ-CYBMUJFWSA-N 1 2 262.272 0.976 20 30 CCEDLO CCNC(=O)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156328022 836319161 /nfs/dbraw/zinc/31/91/61/836319161.db2.gz YHQSFUWHNBGAQF-NSHDSACASA-N 1 2 259.313 0.133 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)COCC)CC2=O)C1 ZINC001108503968 836363114 /nfs/dbraw/zinc/36/31/14/836363114.db2.gz MKROODCCXWMBAI-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C[C@@H](CO)Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001169788123 836445418 /nfs/dbraw/zinc/44/54/18/836445418.db2.gz XAESPSSHTDUWQR-ZDUSSCGKSA-N 1 2 293.367 0.751 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001108624796 836498948 /nfs/dbraw/zinc/49/89/48/836498948.db2.gz YNJPQEAGVNFUMH-LBPRGKRZSA-N 1 2 298.350 0.579 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108868191 836559928 /nfs/dbraw/zinc/55/99/28/836559928.db2.gz SCFVISWHPVSHFT-AGIUHOORSA-N 1 2 277.368 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108868191 836559936 /nfs/dbraw/zinc/55/99/36/836559936.db2.gz SCFVISWHPVSHFT-AGIUHOORSA-N 1 2 277.368 0.257 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014738 836597822 /nfs/dbraw/zinc/59/78/22/836597822.db2.gz MKFWESUCPLGVBY-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109741541 836720757 /nfs/dbraw/zinc/72/07/57/836720757.db2.gz PGKGVEOLVLJEPK-RDBSUJKOSA-N 1 2 287.367 0.482 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109741541 836720762 /nfs/dbraw/zinc/72/07/62/836720762.db2.gz PGKGVEOLVLJEPK-RDBSUJKOSA-N 1 2 287.367 0.482 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112687843 836864804 /nfs/dbraw/zinc/86/48/04/836864804.db2.gz VNPYGLRZNLSROO-UHFFFAOYSA-N 1 2 256.346 0.106 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112773921 836906941 /nfs/dbraw/zinc/90/69/41/836906941.db2.gz BNADPXYLWDXSPK-UHFFFAOYSA-N 1 2 282.384 0.333 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCNC(=O)C2CC2)CC1 ZINC001112922600 836968458 /nfs/dbraw/zinc/96/84/58/836968458.db2.gz KHNYOSDJFKUUAL-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113229539 837062611 /nfs/dbraw/zinc/06/26/11/837062611.db2.gz LSASJISJVSEMAG-UONOGXRCSA-N 1 2 284.400 0.598 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(C(=O)N(C)C(C)C)CC2)CC1 ZINC001113478019 837128277 /nfs/dbraw/zinc/12/82/77/837128277.db2.gz RZORZARSFWHRNL-UHFFFAOYSA-N 1 2 293.411 0.964 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1nccnc1C#N ZINC001113695728 837197995 /nfs/dbraw/zinc/19/79/95/837197995.db2.gz JNFPKGORJXSPJZ-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCCC)NC(N)=O)CC1 ZINC001113726017 837208027 /nfs/dbraw/zinc/20/80/27/837208027.db2.gz SEIGEIGHFRAASL-LBPRGKRZSA-N 1 2 282.388 0.544 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COCCC)CC1 ZINC001131334580 838054003 /nfs/dbraw/zinc/05/40/03/838054003.db2.gz UZXGKPZDXPPPOZ-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COCCC)CC1 ZINC001131334580 838054013 /nfs/dbraw/zinc/05/40/13/838054013.db2.gz UZXGKPZDXPPPOZ-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131729076 838192667 /nfs/dbraw/zinc/19/26/67/838192667.db2.gz BSUUANRSFGUQOG-MNOVXSKESA-N 1 2 266.345 0.005 20 30 CCEDLO CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131729076 838192673 /nfs/dbraw/zinc/19/26/73/838192673.db2.gz BSUUANRSFGUQOG-MNOVXSKESA-N 1 2 266.345 0.005 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131871348 838250960 /nfs/dbraw/zinc/25/09/60/838250960.db2.gz QXSYORNIMROFPG-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001131871348 838250963 /nfs/dbraw/zinc/25/09/63/838250963.db2.gz QXSYORNIMROFPG-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131871347 838251120 /nfs/dbraw/zinc/25/11/20/838251120.db2.gz QXSYORNIMROFPG-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131871347 838251129 /nfs/dbraw/zinc/25/11/29/838251129.db2.gz QXSYORNIMROFPG-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132022288 838294696 /nfs/dbraw/zinc/29/46/96/838294696.db2.gz XSQULXQOHLXKLL-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132022288 838294706 /nfs/dbraw/zinc/29/47/06/838294706.db2.gz XSQULXQOHLXKLL-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132046003 838309810 /nfs/dbraw/zinc/30/98/10/838309810.db2.gz LHVJNOANVTXKMI-GXTWGEPZSA-N 1 2 291.395 0.505 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132046003 838309818 /nfs/dbraw/zinc/30/98/18/838309818.db2.gz LHVJNOANVTXKMI-GXTWGEPZSA-N 1 2 291.395 0.505 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132047002 838310140 /nfs/dbraw/zinc/31/01/40/838310140.db2.gz SMLAYXWKYVYPEA-DGCLKSJQSA-N 1 2 277.368 0.115 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132047002 838310144 /nfs/dbraw/zinc/31/01/44/838310144.db2.gz SMLAYXWKYVYPEA-DGCLKSJQSA-N 1 2 277.368 0.115 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)NCC(=O)OCCCC)CC1 ZINC001188261554 844860424 /nfs/dbraw/zinc/86/04/24/844860424.db2.gz HYQQGIZZBCKOIU-UHFFFAOYSA-N 1 2 283.372 0.843 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(C)no2)C1 ZINC001133570030 838669329 /nfs/dbraw/zinc/66/93/29/838669329.db2.gz JKAGUCKHHZRRCS-UHFFFAOYSA-N 1 2 264.329 0.940 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553275 839637378 /nfs/dbraw/zinc/63/73/78/839637378.db2.gz LNJYKXAYZDWPBM-MNOVXSKESA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553275 839637386 /nfs/dbraw/zinc/63/73/86/839637386.db2.gz LNJYKXAYZDWPBM-MNOVXSKESA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590234 839660361 /nfs/dbraw/zinc/66/03/61/839660361.db2.gz RQQZLZRYKRRUCA-NWDGAFQWSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590234 839660365 /nfs/dbraw/zinc/66/03/65/839660365.db2.gz RQQZLZRYKRRUCA-NWDGAFQWSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090651130 839705690 /nfs/dbraw/zinc/70/56/90/839705690.db2.gz PLWDMPCSHFKUGJ-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090651130 839705698 /nfs/dbraw/zinc/70/56/98/839705698.db2.gz PLWDMPCSHFKUGJ-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)n2)C1 ZINC001186099309 844509898 /nfs/dbraw/zinc/50/98/98/844509898.db2.gz PXDHGVNDQXJTRM-JTQLQIEISA-N 1 2 288.307 0.387 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)n2)C1 ZINC001186099309 844509903 /nfs/dbraw/zinc/50/99/03/844509903.db2.gz PXDHGVNDQXJTRM-JTQLQIEISA-N 1 2 288.307 0.387 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001098344973 840965378 /nfs/dbraw/zinc/96/53/78/840965378.db2.gz ZSACBXACAVHVFE-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001098344973 840965368 /nfs/dbraw/zinc/96/53/68/840965368.db2.gz ZSACBXACAVHVFE-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)c1nccn12 ZINC001092338133 841011827 /nfs/dbraw/zinc/01/18/27/841011827.db2.gz HPTYKRXQWVXXFD-SNVBAGLBSA-N 1 2 294.305 0.743 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc[nH]1)c1nccn12 ZINC001092367687 841014059 /nfs/dbraw/zinc/01/40/59/841014059.db2.gz AIXJNCJQAMDTRN-NSHDSACASA-N 1 2 298.350 0.678 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C)nn2)C1 ZINC001094270878 841577336 /nfs/dbraw/zinc/57/73/36/841577336.db2.gz IZVCTQDCKVJDIR-BXUZGUMPSA-N 1 2 287.367 0.430 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc[nH]3)CC2=O)C1 ZINC001094701721 841709109 /nfs/dbraw/zinc/70/91/09/841709109.db2.gz RXSCRMVQEREIKG-LLVKDONJSA-N 1 2 288.351 0.216 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC3(F)F)CC2=O)C1 ZINC001094735876 841715488 /nfs/dbraw/zinc/71/54/88/841715488.db2.gz VPPQPLZEASPEQD-GXSJLCMTSA-N 1 2 299.321 0.229 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094809106 841727856 /nfs/dbraw/zinc/72/78/56/841727856.db2.gz XTRMKIXLEIEUIN-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001206183194 841985690 /nfs/dbraw/zinc/98/56/90/841985690.db2.gz HXZQJUQGYRAETL-IJLUTSLNSA-N 1 2 299.440 0.477 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001206183194 841985697 /nfs/dbraw/zinc/98/56/97/841985697.db2.gz HXZQJUQGYRAETL-IJLUTSLNSA-N 1 2 299.440 0.477 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)C(=O)OC ZINC001173752157 842146634 /nfs/dbraw/zinc/14/66/34/842146634.db2.gz OLRSMZRVQKCBDG-TUAOUCFPSA-N 1 2 277.328 0.311 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001176878266 842437026 /nfs/dbraw/zinc/43/70/26/842437026.db2.gz IEAOCDUINSYFMR-UHFFFAOYSA-N 1 2 290.323 0.579 20 30 CCEDLO C[C@H](C(=O)Nc1nc(C#N)c(C#N)nc1N)n1cc[nH+]c1 ZINC001177921872 842709895 /nfs/dbraw/zinc/70/98/95/842709895.db2.gz KYBXVBIMPBXCPX-SSDOTTSWSA-N 1 2 282.267 0.198 20 30 CCEDLO C=C[C@H]1C[C@@]1(NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001177998726 842723371 /nfs/dbraw/zinc/72/33/71/842723371.db2.gz ZGFLCPMSEOUQPG-HZMBPMFUSA-N 1 2 277.324 0.966 20 30 CCEDLO Cc1[nH]c(NC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC001180755832 843274486 /nfs/dbraw/zinc/27/44/86/843274486.db2.gz RZFJZRYIGFDZJQ-LLVKDONJSA-N 1 2 262.313 0.772 20 30 CCEDLO Cc1[nH]c(NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC001180755832 843274497 /nfs/dbraw/zinc/27/44/97/843274497.db2.gz RZFJZRYIGFDZJQ-LLVKDONJSA-N 1 2 262.313 0.772 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(C#N)Cc3ccccc3C2)C1 ZINC001180762945 843296999 /nfs/dbraw/zinc/29/69/99/843296999.db2.gz RGIZPJRQSRGADN-AWEZNQCLSA-N 1 2 285.347 0.494 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(C#N)Cc3ccccc3C2)C1 ZINC001180762945 843297011 /nfs/dbraw/zinc/29/70/11/843297011.db2.gz RGIZPJRQSRGADN-AWEZNQCLSA-N 1 2 285.347 0.494 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc(C#N)c2)C1 ZINC001182341690 843775326 /nfs/dbraw/zinc/77/53/26/843775326.db2.gz VESDLARWYZMTFQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)CCc2cccc(C#N)c2)C1 ZINC001182341690 843775331 /nfs/dbraw/zinc/77/53/31/843775331.db2.gz VESDLARWYZMTFQ-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191881155 845752778 /nfs/dbraw/zinc/75/27/78/845752778.db2.gz GYNUGDMXDCKXGF-DIALRVQJSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191881155 845752787 /nfs/dbraw/zinc/75/27/87/845752787.db2.gz GYNUGDMXDCKXGF-DIALRVQJSA-N 1 2 257.721 0.060 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cnc(C)c(C#N)c2)CC1 ZINC001192285452 845814954 /nfs/dbraw/zinc/81/49/54/845814954.db2.gz PBSLQXQKUPERQO-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO N#CCS(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001192942879 845930102 /nfs/dbraw/zinc/93/01/02/845930102.db2.gz DWAQAWAMZANZPH-UHFFFAOYSA-N 1 2 263.282 0.533 20 30 CCEDLO Cc1cccn2c(CNS(=O)(=O)[C@@H](C)C#N)c[nH+]c12 ZINC001193159480 846008247 /nfs/dbraw/zinc/00/82/47/846008247.db2.gz ILBVYQZDTFEFPY-JTQLQIEISA-N 1 2 278.337 0.974 20 30 CCEDLO CC(C)n1c[nH+]cc1CNS(=O)(=O)[C@@H](C)C#N ZINC001193178269 846008383 /nfs/dbraw/zinc/00/83/83/846008383.db2.gz GKECOQFDIDHHOA-VIFPVBQESA-N 1 2 256.331 0.795 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193178879 846024396 /nfs/dbraw/zinc/02/43/96/846024396.db2.gz RJYMZDYHAPHRSY-VXGBXAGGSA-N 1 2 294.380 0.882 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001194024185 846199437 /nfs/dbraw/zinc/19/94/37/846199437.db2.gz YFQRZDRBVHHKAM-BPLDGKMQSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001194024185 846199439 /nfs/dbraw/zinc/19/94/39/846199439.db2.gz YFQRZDRBVHHKAM-BPLDGKMQSA-N 1 2 294.395 0.234 20 30 CCEDLO N#Cc1cncc(C(=O)NCC[NH+]2CC3(COC3)C2)c1 ZINC001194112428 846215555 /nfs/dbraw/zinc/21/55/55/846215555.db2.gz GWRZVRLINPIAMD-UHFFFAOYSA-N 1 2 272.308 0.015 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001194258401 846253933 /nfs/dbraw/zinc/25/39/33/846253933.db2.gz IEVCGMLFESQDDZ-YRGRVCCFSA-N 1 2 270.348 0.699 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001194258401 846253947 /nfs/dbraw/zinc/25/39/47/846253947.db2.gz IEVCGMLFESQDDZ-YRGRVCCFSA-N 1 2 270.348 0.699 20 30 CCEDLO C=CCOC(=O)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001194299990 846258031 /nfs/dbraw/zinc/25/80/31/846258031.db2.gz QHYYZNCVOJZVLU-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CCOC(=O)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001194299990 846258039 /nfs/dbraw/zinc/25/80/39/846258039.db2.gz QHYYZNCVOJZVLU-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194869381 846409032 /nfs/dbraw/zinc/40/90/32/846409032.db2.gz QEJCBLBXRUXWJA-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194869381 846409037 /nfs/dbraw/zinc/40/90/37/846409037.db2.gz QEJCBLBXRUXWJA-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC001194999620 846438260 /nfs/dbraw/zinc/43/82/60/846438260.db2.gz LXVMZWIVSCFVPN-UHFFFAOYSA-N 1 2 289.763 0.629 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC001194999620 846438266 /nfs/dbraw/zinc/43/82/66/846438266.db2.gz LXVMZWIVSCFVPN-UHFFFAOYSA-N 1 2 289.763 0.629 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001195232730 846477543 /nfs/dbraw/zinc/47/75/43/846477543.db2.gz NGESPHSJPVEJMZ-LLVKDONJSA-N 1 2 296.371 0.070 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001195232730 846477548 /nfs/dbraw/zinc/47/75/48/846477548.db2.gz NGESPHSJPVEJMZ-LLVKDONJSA-N 1 2 296.371 0.070 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001195437076 846544668 /nfs/dbraw/zinc/54/46/68/846544668.db2.gz JTELLSZWIRACCZ-CQSZACIVSA-N 1 2 284.319 0.923 20 30 CCEDLO Cc1cc(C#N)cc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001195437076 846544679 /nfs/dbraw/zinc/54/46/79/846544679.db2.gz JTELLSZWIRACCZ-CQSZACIVSA-N 1 2 284.319 0.923 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195915204 846649998 /nfs/dbraw/zinc/64/99/98/846649998.db2.gz NCPYPHMGNOPRIS-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195915204 846650012 /nfs/dbraw/zinc/65/00/12/846650012.db2.gz NCPYPHMGNOPRIS-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195991241 846671509 /nfs/dbraw/zinc/67/15/09/846671509.db2.gz WUSYQGRJNUSHJN-KBUPBQIOSA-N 1 2 294.395 0.234 20 30 CCEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195991241 846671515 /nfs/dbraw/zinc/67/15/15/846671515.db2.gz WUSYQGRJNUSHJN-KBUPBQIOSA-N 1 2 294.395 0.234 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001198345019 847093065 /nfs/dbraw/zinc/09/30/65/847093065.db2.gz YXZYHOQVECLRHZ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001198345019 847093074 /nfs/dbraw/zinc/09/30/74/847093074.db2.gz YXZYHOQVECLRHZ-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001251887559 847338969 /nfs/dbraw/zinc/33/89/69/847338969.db2.gz FPKHOWUEDORYPJ-GFCCVEGCSA-N 1 2 279.311 0.652 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252554193 848002789 /nfs/dbraw/zinc/00/27/89/848002789.db2.gz CXEOSVFOJAUANH-UHIISALHSA-N 1 2 285.340 0.350 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252554193 848002792 /nfs/dbraw/zinc/00/27/92/848002792.db2.gz CXEOSVFOJAUANH-UHIISALHSA-N 1 2 285.340 0.350 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)Cc3nc[nH]n3)cc2C1 ZINC001274036191 848313584 /nfs/dbraw/zinc/31/35/84/848313584.db2.gz LFAWSNKOSROYFS-UHFFFAOYSA-N 1 2 295.346 0.612 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)Cc3nc[nH]n3)cc2C1 ZINC001274036191 848313595 /nfs/dbraw/zinc/31/35/95/848313595.db2.gz LFAWSNKOSROYFS-UHFFFAOYSA-N 1 2 295.346 0.612 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275309735 848688707 /nfs/dbraw/zinc/68/87/07/848688707.db2.gz JZFHRJHNIYIRFG-HBNTYKKESA-N 1 2 261.329 0.141 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001095712929 849010487 /nfs/dbraw/zinc/01/04/87/849010487.db2.gz BZWPKGXLNKQIMD-RNJOBUHISA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001095712929 849010492 /nfs/dbraw/zinc/01/04/92/849010492.db2.gz BZWPKGXLNKQIMD-RNJOBUHISA-N 1 2 298.408 0.329 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038631573 849740703 /nfs/dbraw/zinc/74/07/03/849740703.db2.gz LCNDLVVBOLIIFF-YPMHNXCESA-N 1 2 288.351 0.699 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038631573 849740706 /nfs/dbraw/zinc/74/07/06/849740706.db2.gz LCNDLVVBOLIIFF-YPMHNXCESA-N 1 2 288.351 0.699 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253677345 849787328 /nfs/dbraw/zinc/78/73/28/849787328.db2.gz NCRFMMLUIGCEKG-WDEREUQCSA-N 1 2 299.392 0.963 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253677345 849787332 /nfs/dbraw/zinc/78/73/32/849787332.db2.gz NCRFMMLUIGCEKG-WDEREUQCSA-N 1 2 299.392 0.963 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038155515 849799959 /nfs/dbraw/zinc/79/99/59/849799959.db2.gz XTLVHRNHTKJOAD-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001038217287 849822204 /nfs/dbraw/zinc/82/22/04/849822204.db2.gz NMWAFUBXLOMVGN-CHWSQXEVSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001038217287 849822210 /nfs/dbraw/zinc/82/22/10/849822210.db2.gz NMWAFUBXLOMVGN-CHWSQXEVSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038276327 849837652 /nfs/dbraw/zinc/83/76/52/849837652.db2.gz DDWHVONTZOWGAK-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038276327 849837667 /nfs/dbraw/zinc/83/76/67/849837667.db2.gz DDWHVONTZOWGAK-SNVBAGLBSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001038309849 849846143 /nfs/dbraw/zinc/84/61/43/849846143.db2.gz DNWHZAXBVMHAJN-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001038309849 849846147 /nfs/dbraw/zinc/84/61/47/849846147.db2.gz DNWHZAXBVMHAJN-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038408822 849883555 /nfs/dbraw/zinc/88/35/55/849883555.db2.gz FMGQYMUJTIRVJN-SNVBAGLBSA-N 1 2 265.263 0.797 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038408822 849883559 /nfs/dbraw/zinc/88/35/59/849883559.db2.gz FMGQYMUJTIRVJN-SNVBAGLBSA-N 1 2 265.263 0.797 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001038408269 849883699 /nfs/dbraw/zinc/88/36/99/849883699.db2.gz VHUDAGMRLZWFOQ-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001038408269 849883708 /nfs/dbraw/zinc/88/37/08/849883708.db2.gz VHUDAGMRLZWFOQ-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038446080 849902454 /nfs/dbraw/zinc/90/24/54/849902454.db2.gz NWLFBXZCMGKGQW-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038446080 849902460 /nfs/dbraw/zinc/90/24/60/849902460.db2.gz NWLFBXZCMGKGQW-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038493588 849920999 /nfs/dbraw/zinc/92/09/99/849920999.db2.gz RRIRVVKLRILGJB-CYBMUJFWSA-N 1 2 272.352 0.839 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038493588 849921005 /nfs/dbraw/zinc/92/10/05/849921005.db2.gz RRIRVVKLRILGJB-CYBMUJFWSA-N 1 2 272.352 0.839 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038515778 849929573 /nfs/dbraw/zinc/92/95/73/849929573.db2.gz PIDPTHWAQVKKCY-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038515778 849929580 /nfs/dbraw/zinc/92/95/80/849929580.db2.gz PIDPTHWAQVKKCY-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038570871 849947910 /nfs/dbraw/zinc/94/79/10/849947910.db2.gz CKBCQQXOKIMASX-GFCCVEGCSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038570871 849947916 /nfs/dbraw/zinc/94/79/16/849947916.db2.gz CKBCQQXOKIMASX-GFCCVEGCSA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038690909 849983233 /nfs/dbraw/zinc/98/32/33/849983233.db2.gz DAMPOOGCODCKAC-GFCCVEGCSA-N 1 2 289.383 0.688 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038690909 849983240 /nfs/dbraw/zinc/98/32/40/849983240.db2.gz DAMPOOGCODCKAC-GFCCVEGCSA-N 1 2 289.383 0.688 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)n1 ZINC001038783882 850017958 /nfs/dbraw/zinc/01/79/58/850017958.db2.gz VRCDSXYPYKOABA-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)n1 ZINC001038783882 850017965 /nfs/dbraw/zinc/01/79/65/850017965.db2.gz VRCDSXYPYKOABA-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnon2)cc1 ZINC001038848980 850047136 /nfs/dbraw/zinc/04/71/36/850047136.db2.gz HFJFDGARRBGDTL-CYBMUJFWSA-N 1 2 297.318 0.946 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnon2)cc1 ZINC001038848980 850047140 /nfs/dbraw/zinc/04/71/40/850047140.db2.gz HFJFDGARRBGDTL-CYBMUJFWSA-N 1 2 297.318 0.946 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038854543 850049781 /nfs/dbraw/zinc/04/97/81/850049781.db2.gz WXVHVWHLMHGSDU-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038854543 850049786 /nfs/dbraw/zinc/04/97/86/850049786.db2.gz WXVHVWHLMHGSDU-NSHDSACASA-N 1 2 261.329 0.125 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(COC)n1 ZINC001038867618 850056236 /nfs/dbraw/zinc/05/62/36/850056236.db2.gz LIFCOSLVCCXSDV-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(COC)n1 ZINC001038867618 850056241 /nfs/dbraw/zinc/05/62/41/850056241.db2.gz LIFCOSLVCCXSDV-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038892399 850069084 /nfs/dbraw/zinc/06/90/84/850069084.db2.gz XTEOUCSBNKIESW-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038892399 850069090 /nfs/dbraw/zinc/06/90/90/850069090.db2.gz XTEOUCSBNKIESW-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001038909367 850076751 /nfs/dbraw/zinc/07/67/51/850076751.db2.gz DYGYHFCRNLOMRN-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001038909367 850076759 /nfs/dbraw/zinc/07/67/59/850076759.db2.gz DYGYHFCRNLOMRN-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989678 850114281 /nfs/dbraw/zinc/11/42/81/850114281.db2.gz BVHYTFPCAAUYQT-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989678 850114289 /nfs/dbraw/zinc/11/42/89/850114289.db2.gz BVHYTFPCAAUYQT-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039095579 850155912 /nfs/dbraw/zinc/15/59/12/850155912.db2.gz GYDDZACKXLXHHH-GFCCVEGCSA-N 1 2 275.356 0.434 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039095579 850155914 /nfs/dbraw/zinc/15/59/14/850155914.db2.gz GYDDZACKXLXHHH-GFCCVEGCSA-N 1 2 275.356 0.434 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC#N ZINC001039983601 850248906 /nfs/dbraw/zinc/24/89/06/850248906.db2.gz JDZXDIMUBVYGPD-BETUJISGSA-N 1 2 287.367 0.850 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042031910 850561341 /nfs/dbraw/zinc/56/13/41/850561341.db2.gz CYGMLECYRXEORR-CHWSQXEVSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089940 850578649 /nfs/dbraw/zinc/57/86/49/850578649.db2.gz HEKFKVWHVFROON-TZMCWYRMSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089940 850578659 /nfs/dbraw/zinc/57/86/59/850578659.db2.gz HEKFKVWHVFROON-TZMCWYRMSA-N 1 2 287.367 0.789 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001042490242 850663409 /nfs/dbraw/zinc/66/34/09/850663409.db2.gz BFYLGBFAYPGKLM-LBPRGKRZSA-N 1 2 254.330 0.121 20 30 CCEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCn2cccn2)C1 ZINC001042614175 850712190 /nfs/dbraw/zinc/71/21/90/850712190.db2.gz DVDZAPQMQNUDHO-UHFFFAOYSA-N 1 2 298.350 0.539 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001043181733 850826998 /nfs/dbraw/zinc/82/69/98/850826998.db2.gz DAEARVUYXLLWSE-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001043223070 850837054 /nfs/dbraw/zinc/83/70/54/850837054.db2.gz DXUYEMBXASADEX-UHFFFAOYSA-N 1 2 298.346 0.356 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001043260695 850843667 /nfs/dbraw/zinc/84/36/67/850843667.db2.gz QGWQRXVKTMPJHT-LLVKDONJSA-N 1 2 280.372 0.106 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001043836149 850947672 /nfs/dbraw/zinc/94/76/72/850947672.db2.gz YQHWNZUKVNBZJS-LBPRGKRZSA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001044013646 850985655 /nfs/dbraw/zinc/98/56/55/850985655.db2.gz UVCSJQXJDJFLKV-ZDUSSCGKSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001044092665 851008301 /nfs/dbraw/zinc/00/83/01/851008301.db2.gz QGNGSHLVFTVFDS-AWEZNQCLSA-N 1 2 250.342 0.579 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN2CCCCCC2=O)C1 ZINC001044273273 851058199 /nfs/dbraw/zinc/05/81/99/851058199.db2.gz JBZQQMCWFVFKPQ-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045149810 851215920 /nfs/dbraw/zinc/21/59/20/851215920.db2.gz TYSYXIOYBPHJBG-NSHDSACASA-N 1 2 292.387 0.503 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC001046003533 851347080 /nfs/dbraw/zinc/34/70/80/851347080.db2.gz GQHDDHNPPMDHJV-CYBMUJFWSA-N 1 2 287.367 0.370 20 30 CCEDLO C/C=C(\C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046021081 851356086 /nfs/dbraw/zinc/35/60/86/851356086.db2.gz ZWQYMJFGGYIQJZ-MIJQFGFMSA-N 1 2 276.384 0.695 20 30 CCEDLO CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046078631 851361180 /nfs/dbraw/zinc/36/11/80/851361180.db2.gz NFPIXNBMRHCKIG-CYBMUJFWSA-N 1 2 278.400 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286861 851453473 /nfs/dbraw/zinc/45/34/73/851453473.db2.gz GWDNNNPRKVPUDJ-BXKDBHETSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286861 851453477 /nfs/dbraw/zinc/45/34/77/851453477.db2.gz GWDNNNPRKVPUDJ-BXKDBHETSA-N 1 2 287.747 0.428 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(OC)ns2)C1 ZINC001046327065 851466461 /nfs/dbraw/zinc/46/64/61/851466461.db2.gz FQTLNKBQYHIVJF-ZDUSSCGKSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(OC)ns2)C1 ZINC001046327065 851466466 /nfs/dbraw/zinc/46/64/66/851466466.db2.gz FQTLNKBQYHIVJF-ZDUSSCGKSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C)n2)C1 ZINC001047305979 851705830 /nfs/dbraw/zinc/70/58/30/851705830.db2.gz NBWPLJOYYAKYAH-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C)n2)C1 ZINC001047305979 851705833 /nfs/dbraw/zinc/70/58/33/851705833.db2.gz NBWPLJOYYAKYAH-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001096433166 852087583 /nfs/dbraw/zinc/08/75/83/852087583.db2.gz MCPLNYDVEBZWEC-WXHSDQCUSA-N 1 2 273.340 0.506 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096442877 852111347 /nfs/dbraw/zinc/11/13/47/852111347.db2.gz VTWFECIPPIZSEH-YPMHNXCESA-N 1 2 288.351 0.518 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097064695 852494263 /nfs/dbraw/zinc/49/42/63/852494263.db2.gz HWUNGCZFFSXYAA-JOCQHMNTSA-N 1 2 288.351 0.884 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001052897651 852668363 /nfs/dbraw/zinc/66/83/63/852668363.db2.gz KNAQHMZNTOFCTM-GFCCVEGCSA-N 1 2 275.356 0.755 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)c1 ZINC001053422823 852742681 /nfs/dbraw/zinc/74/26/81/852742681.db2.gz SQQAXXSEHUNJHL-UHFFFAOYSA-N 1 2 299.374 0.998 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCOC1)O2 ZINC001053576498 852763586 /nfs/dbraw/zinc/76/35/86/852763586.db2.gz SERIRDDQZNETMM-CHWSQXEVSA-N 1 2 280.368 0.559 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCOC1)O2 ZINC001053580796 852765923 /nfs/dbraw/zinc/76/59/23/852765923.db2.gz JTNPEGFCUYJNEF-UONOGXRCSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nonc1C)O2 ZINC001053703737 852778218 /nfs/dbraw/zinc/77/82/18/852778218.db2.gz LXUVKZWSGCIDLT-NSHDSACASA-N 1 2 292.339 0.527 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]c1)CO2 ZINC001053747473 852801664 /nfs/dbraw/zinc/80/16/64/852801664.db2.gz YXLMJKVNNDOFGX-LBPRGKRZSA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1=COCCC1)CO2 ZINC001053754058 852804556 /nfs/dbraw/zinc/80/45/56/852804556.db2.gz GEAWHQLZKPSPMO-CQSZACIVSA-N 1 2 290.363 0.664 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]cc1C)CO2 ZINC001053797495 852824331 /nfs/dbraw/zinc/82/43/31/852824331.db2.gz BJVFWYWIFRNKMA-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[C@@H](C#N)C1 ZINC001254651051 852901092 /nfs/dbraw/zinc/90/10/92/852901092.db2.gz ZXURSCBMVVNRFI-WZRBSPASSA-N 1 2 276.340 0.786 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1nccnc1C#N ZINC001097975171 853060249 /nfs/dbraw/zinc/06/02/49/853060249.db2.gz LCZXDJSRAFMTRF-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001098006281 853122547 /nfs/dbraw/zinc/12/25/47/853122547.db2.gz FEQWLUAYGWKWSI-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO Cc1cc(N[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001098006897 853123447 /nfs/dbraw/zinc/12/34/47/853123447.db2.gz OZPLDNLDKMWWMC-LLVKDONJSA-N 1 2 298.350 0.566 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001098007475 853124126 /nfs/dbraw/zinc/12/41/26/853124126.db2.gz ZUAFMWQPGYMWEG-JTQLQIEISA-N 1 2 284.323 0.258 20 30 CCEDLO Cc1nc(N2CCCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001057107139 853270841 /nfs/dbraw/zinc/27/08/41/853270841.db2.gz GAABGVWEGHORBH-NSHDSACASA-N 1 2 273.340 0.983 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050062533 853306318 /nfs/dbraw/zinc/30/63/18/853306318.db2.gz WJDNKJKRHYKLDW-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050062533 853306326 /nfs/dbraw/zinc/30/63/26/853306326.db2.gz WJDNKJKRHYKLDW-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnnn1CC ZINC001050907486 853483356 /nfs/dbraw/zinc/48/33/56/853483356.db2.gz ZDZGQNWQFKDJIV-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnnn1CC ZINC001050907486 853483357 /nfs/dbraw/zinc/48/33/57/853483357.db2.gz ZDZGQNWQFKDJIV-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001050931893 853488550 /nfs/dbraw/zinc/48/85/50/853488550.db2.gz RADCPNGLXDLKLO-YDHLFZDLSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001050931893 853488552 /nfs/dbraw/zinc/48/85/52/853488552.db2.gz RADCPNGLXDLKLO-YDHLFZDLSA-N 1 2 280.368 0.416 20 30 CCEDLO N#CCN1CCOC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050980092 853500080 /nfs/dbraw/zinc/50/00/80/853500080.db2.gz KJNWYFFNQANADU-GFCCVEGCSA-N 1 2 299.334 0.517 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001051071189 853518876 /nfs/dbraw/zinc/51/88/76/853518876.db2.gz NMEGPPNCEKJXCL-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001051071189 853518878 /nfs/dbraw/zinc/51/88/78/853518878.db2.gz NMEGPPNCEKJXCL-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001051102352 853525621 /nfs/dbraw/zinc/52/56/21/853525621.db2.gz KUDOCUFLTBWQEL-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001051102352 853525624 /nfs/dbraw/zinc/52/56/24/853525624.db2.gz KUDOCUFLTBWQEL-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001051151408 853533791 /nfs/dbraw/zinc/53/37/91/853533791.db2.gz WHXBCAPLZPZYQS-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001051151408 853533794 /nfs/dbraw/zinc/53/37/94/853533794.db2.gz WHXBCAPLZPZYQS-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CCC)nn1 ZINC001051156335 853536036 /nfs/dbraw/zinc/53/60/36/853536036.db2.gz QHUHARMJYUCOBR-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)nn1 ZINC001051156335 853536045 /nfs/dbraw/zinc/53/60/45/853536045.db2.gz QHUHARMJYUCOBR-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccn1 ZINC001051175913 853540179 /nfs/dbraw/zinc/54/01/79/853540179.db2.gz GCQLJRGPQRMCHC-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccn1 ZINC001051175913 853540194 /nfs/dbraw/zinc/54/01/94/853540194.db2.gz GCQLJRGPQRMCHC-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001051495187 853596736 /nfs/dbraw/zinc/59/67/36/853596736.db2.gz RYBNDVXQMPHGFA-MWLCHTKSSA-N 1 2 295.368 0.015 20 30 CCEDLO CC(C)(F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051967987 853665821 /nfs/dbraw/zinc/66/58/21/853665821.db2.gz ZEMZJXLKJDICTI-LBPRGKRZSA-N 1 2 282.363 0.477 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001051989596 853669317 /nfs/dbraw/zinc/66/93/17/853669317.db2.gz HJIXEFWFTUBYTL-UONOGXRCSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001051989596 853669319 /nfs/dbraw/zinc/66/93/19/853669319.db2.gz HJIXEFWFTUBYTL-UONOGXRCSA-N 1 2 295.452 0.590 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001051991539 853672048 /nfs/dbraw/zinc/67/20/48/853672048.db2.gz JBEWVJCGCDHQOZ-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052027011 853677597 /nfs/dbraw/zinc/67/75/97/853677597.db2.gz VZHAKFHWLAVMHX-INIZCTEOSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070438969 854059991 /nfs/dbraw/zinc/05/99/91/854059991.db2.gz LLKHPFSNESJYHY-CYBMUJFWSA-N 1 2 299.378 0.384 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NCC#N ZINC001070638096 854084520 /nfs/dbraw/zinc/08/45/20/854084520.db2.gz WJEQDXODMPCZCX-ZIAGYGMSSA-N 1 2 299.378 0.938 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1CC#N ZINC001071934633 854321775 /nfs/dbraw/zinc/32/17/75/854321775.db2.gz POYDAGYYECPNSH-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)nn1 ZINC001072721195 854452201 /nfs/dbraw/zinc/45/22/01/854452201.db2.gz IGMROIGOVFISIV-UHFFFAOYSA-N 1 2 299.378 0.263 20 30 CCEDLO Cn1cc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)nn1 ZINC001072721195 854452203 /nfs/dbraw/zinc/45/22/03/854452203.db2.gz IGMROIGOVFISIV-UHFFFAOYSA-N 1 2 299.378 0.263 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001072994537 854512226 /nfs/dbraw/zinc/51/22/26/854512226.db2.gz GIRHMXSIRSMWSQ-CHWSQXEVSA-N 1 2 299.378 0.581 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073045140 854520345 /nfs/dbraw/zinc/52/03/45/854520345.db2.gz VIHGLNCKOKZEQH-GFCCVEGCSA-N 1 2 287.367 0.646 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073045140 854520347 /nfs/dbraw/zinc/52/03/47/854520347.db2.gz VIHGLNCKOKZEQH-GFCCVEGCSA-N 1 2 287.367 0.646 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)COC ZINC001255569625 854554107 /nfs/dbraw/zinc/55/41/07/854554107.db2.gz HOIXQKVFXHLZPK-YPMHNXCESA-N 1 2 280.372 0.952 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)COC ZINC001255569625 854554119 /nfs/dbraw/zinc/55/41/19/854554119.db2.gz HOIXQKVFXHLZPK-YPMHNXCESA-N 1 2 280.372 0.952 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)nc1 ZINC001074386022 854722871 /nfs/dbraw/zinc/72/28/71/854722871.db2.gz ZBBWLSAXXKGPIU-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)nc1 ZINC001074386022 854722880 /nfs/dbraw/zinc/72/28/80/854722880.db2.gz ZBBWLSAXXKGPIU-CVEARBPZSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001074867842 854793362 /nfs/dbraw/zinc/79/33/62/854793362.db2.gz JZGTYCDPMJJVDV-SRVKXCTJSA-N 1 2 287.367 0.932 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098614950 854872486 /nfs/dbraw/zinc/87/24/86/854872486.db2.gz FESANWMPOVWIIA-AWEZNQCLSA-N 1 2 289.383 0.820 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021032 855407213 /nfs/dbraw/zinc/40/72/13/855407213.db2.gz BVVHINYBAHZGRP-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021032 855407219 /nfs/dbraw/zinc/40/72/19/855407219.db2.gz BVVHINYBAHZGRP-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205280 855418937 /nfs/dbraw/zinc/41/89/37/855418937.db2.gz UQSRNMPXEJZRRR-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001103118125 855498003 /nfs/dbraw/zinc/49/80/03/855498003.db2.gz QUIPTOHIKOVPBY-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001116868635 855852525 /nfs/dbraw/zinc/85/25/25/855852525.db2.gz GMXDZGFNHXONNA-NSHDSACASA-N 1 2 297.380 0.544 20 30 CCEDLO Cc1nc([C@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)no1 ZINC001118149764 856175292 /nfs/dbraw/zinc/17/52/92/856175292.db2.gz OMVGVIVHYGWDDG-GXSJLCMTSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1nc([C@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)no1 ZINC001118149764 856175296 /nfs/dbraw/zinc/17/52/96/856175296.db2.gz OMVGVIVHYGWDDG-GXSJLCMTSA-N 1 2 267.333 0.235 20 30 CCEDLO C[C@H](CNC(=O)CCCCC#N)[NH+]1CCN(C)CC1 ZINC001118374441 856279317 /nfs/dbraw/zinc/27/93/17/856279317.db2.gz RJLVGXZJTYKUBC-CYBMUJFWSA-N 1 2 266.389 0.822 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)CC1 ZINC001118971357 856513367 /nfs/dbraw/zinc/51/33/67/856513367.db2.gz DOIPSRCTGIQWPU-DGCLKSJQSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001119630712 856791539 /nfs/dbraw/zinc/79/15/39/856791539.db2.gz IIWVNKUEJXBIRD-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001119630712 856791542 /nfs/dbraw/zinc/79/15/42/856791542.db2.gz IIWVNKUEJXBIRD-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001119978362 856945593 /nfs/dbraw/zinc/94/55/93/856945593.db2.gz GSHVTWSBQAKWTR-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001323286958 912245542 /nfs/dbraw/zinc/24/55/42/912245542.db2.gz JQRYTBHTTYMWQW-CHWSQXEVSA-N 1 2 279.384 0.505 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001323286958 912245554 /nfs/dbraw/zinc/24/55/54/912245554.db2.gz JQRYTBHTTYMWQW-CHWSQXEVSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCCC)NC(N)=O ZINC001323371866 912299328 /nfs/dbraw/zinc/29/93/28/912299328.db2.gz PBBYPHBLKPTADS-VXGBXAGGSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCCC)NC(N)=O ZINC001323371866 912299344 /nfs/dbraw/zinc/29/93/44/912299344.db2.gz PBBYPHBLKPTADS-VXGBXAGGSA-N 1 2 280.372 0.037 20 30 CCEDLO Cn1c(CC#N)nn(CN2CCn3c[nH+]cc3C2)c1=S ZINC001323997255 912620143 /nfs/dbraw/zinc/62/01/43/912620143.db2.gz VUZKLSWEPWSXBB-UHFFFAOYSA-N 1 2 289.368 0.687 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001283136197 891650881 /nfs/dbraw/zinc/65/08/81/891650881.db2.gz UHQUUGXMNAPURP-QWRGUYRKSA-N 1 2 292.383 0.951 20 30 CCEDLO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1csnn1 ZINC001348972491 891727052 /nfs/dbraw/zinc/72/70/52/891727052.db2.gz KJMCCZIXZNFFHP-VHSXEESVSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1csnn1 ZINC001348972491 891727058 /nfs/dbraw/zinc/72/70/58/891727058.db2.gz KJMCCZIXZNFFHP-VHSXEESVSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1csnn1 ZINC001348972491 891727068 /nfs/dbraw/zinc/72/70/68/891727068.db2.gz KJMCCZIXZNFFHP-VHSXEESVSA-N 1 2 269.374 0.395 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001480912266 891758836 /nfs/dbraw/zinc/75/88/36/891758836.db2.gz WEMQHQIXDCGEDO-LBPRGKRZSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001480912266 891758842 /nfs/dbraw/zinc/75/88/42/891758842.db2.gz WEMQHQIXDCGEDO-LBPRGKRZSA-N 1 2 273.764 0.313 20 30 CCEDLO CC#CC[N@H+](CCC)CCNC(=O)CCS(C)(=O)=O ZINC001481139809 892217623 /nfs/dbraw/zinc/21/76/23/892217623.db2.gz FHHWXAHJOQDNRS-UHFFFAOYSA-N 1 2 288.413 0.273 20 30 CCEDLO CC#CC[N@@H+](CCC)CCNC(=O)CCS(C)(=O)=O ZINC001481139809 892217639 /nfs/dbraw/zinc/21/76/39/892217639.db2.gz FHHWXAHJOQDNRS-UHFFFAOYSA-N 1 2 288.413 0.273 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001481532978 892779879 /nfs/dbraw/zinc/77/98/79/892779879.db2.gz QPCKGFQEZKBYID-ZDUSSCGKSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001481532978 892779883 /nfs/dbraw/zinc/77/98/83/892779883.db2.gz QPCKGFQEZKBYID-ZDUSSCGKSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](CCOCC)C1 ZINC001481556579 892825497 /nfs/dbraw/zinc/82/54/97/892825497.db2.gz WXGPZQQOTCEWTQ-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO N#CCSCC(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001481613311 892902754 /nfs/dbraw/zinc/90/27/54/892902754.db2.gz PHFDAQJXYZGPAV-UHFFFAOYSA-N 1 2 296.421 0.948 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001481668457 892985787 /nfs/dbraw/zinc/98/57/87/892985787.db2.gz JLKDHRUSDFHNNQ-WAQDHOJFSA-N 1 2 291.395 0.928 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001481668457 892985795 /nfs/dbraw/zinc/98/57/95/892985795.db2.gz JLKDHRUSDFHNNQ-WAQDHOJFSA-N 1 2 291.395 0.928 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)COC ZINC001481680404 892989954 /nfs/dbraw/zinc/98/99/54/892989954.db2.gz YCNGVDDYPCXTJI-AVGNSLFASA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)COC ZINC001481680404 892989963 /nfs/dbraw/zinc/98/99/63/892989963.db2.gz YCNGVDDYPCXTJI-AVGNSLFASA-N 1 2 250.342 0.577 20 30 CCEDLO C=CC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC001326071047 913731410 /nfs/dbraw/zinc/73/14/10/913731410.db2.gz IPKPZDBPEZDTCN-JTQLQIEISA-N 1 2 251.286 0.507 20 30 CCEDLO CC[C@@H](F)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772423 893133560 /nfs/dbraw/zinc/13/35/60/893133560.db2.gz WRFMGFHOZRYHNJ-VXGBXAGGSA-N 1 2 298.362 0.297 20 30 CCEDLO CC[C@@H](F)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772423 893133569 /nfs/dbraw/zinc/13/35/69/893133569.db2.gz WRFMGFHOZRYHNJ-VXGBXAGGSA-N 1 2 298.362 0.297 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001482921948 894698543 /nfs/dbraw/zinc/69/85/43/894698543.db2.gz UIKBYRFUAAMZQY-AWEZNQCLSA-N 1 2 296.371 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001483652249 895800674 /nfs/dbraw/zinc/80/06/74/895800674.db2.gz GEWIAKUGMGSCET-WCQYABFASA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001483652249 895800684 /nfs/dbraw/zinc/80/06/84/895800684.db2.gz GEWIAKUGMGSCET-WCQYABFASA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661746 895815356 /nfs/dbraw/zinc/81/53/56/895815356.db2.gz OBIDRRVDRPWKAV-AWEZNQCLSA-N 1 2 282.347 0.701 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661746 895815365 /nfs/dbraw/zinc/81/53/65/895815365.db2.gz OBIDRRVDRPWKAV-AWEZNQCLSA-N 1 2 282.347 0.701 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001483700143 895879956 /nfs/dbraw/zinc/87/99/56/895879956.db2.gz ANHRGQPCPAAJOV-GFCCVEGCSA-N 1 2 288.351 0.165 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001483700143 895879968 /nfs/dbraw/zinc/87/99/68/895879968.db2.gz ANHRGQPCPAAJOV-GFCCVEGCSA-N 1 2 288.351 0.165 20 30 CCEDLO C=CCC1(C(=O)N(C)C2C[NH+](CCO)C2)CCOCC1 ZINC001483888805 896105799 /nfs/dbraw/zinc/10/57/99/896105799.db2.gz ZBYXEESLUDMORM-UHFFFAOYSA-N 1 2 282.384 0.494 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)OCC)C1 ZINC001484260812 896300291 /nfs/dbraw/zinc/30/02/91/896300291.db2.gz SHKOAGQYFDIDOL-LLVKDONJSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001484588343 896485130 /nfs/dbraw/zinc/48/51/30/896485130.db2.gz XEXIOWDOOGSLQQ-UONOGXRCSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001484588343 896485139 /nfs/dbraw/zinc/48/51/39/896485139.db2.gz XEXIOWDOOGSLQQ-UONOGXRCSA-N 1 2 292.383 0.837 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484781008 896597755 /nfs/dbraw/zinc/59/77/55/896597755.db2.gz AKVMGFOLOAVBRB-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COCCC)O2 ZINC001484783509 896601704 /nfs/dbraw/zinc/60/17/04/896601704.db2.gz WCJNPCDCVBFOHN-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484786679 896603872 /nfs/dbraw/zinc/60/38/72/896603872.db2.gz OOEODAPJCNRMIM-KGLIPLIRSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001485401897 897034274 /nfs/dbraw/zinc/03/42/74/897034274.db2.gz KDYUIKMDDVDGMX-UHFFFAOYSA-N 1 2 286.335 0.076 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485507290 897096684 /nfs/dbraw/zinc/09/66/84/897096684.db2.gz UUSOFPMZBBQMEM-GFCCVEGCSA-N 1 2 292.383 0.419 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001485522122 897103775 /nfs/dbraw/zinc/10/37/75/897103775.db2.gz HFOXFOOPVLPFPG-YGRLFVJLSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001077748517 897401447 /nfs/dbraw/zinc/40/14/47/897401447.db2.gz QZOBGVUICRGYRE-MGPQQGTHSA-N 1 2 276.311 0.492 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001077748517 897401457 /nfs/dbraw/zinc/40/14/57/897401457.db2.gz QZOBGVUICRGYRE-MGPQQGTHSA-N 1 2 276.311 0.492 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001077760612 897426500 /nfs/dbraw/zinc/42/65/00/897426500.db2.gz MXYJOEHMXOLXMU-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001077760612 897426516 /nfs/dbraw/zinc/42/65/16/897426516.db2.gz MXYJOEHMXOLXMU-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCN1CCO[C@@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909441 897481789 /nfs/dbraw/zinc/48/17/89/897481789.db2.gz WRXIJSWTDKMPMK-HNNXBMFYSA-N 1 2 290.367 0.183 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908026 897488364 /nfs/dbraw/zinc/48/83/64/897488364.db2.gz FWFNFGKRSSVLQF-ZFWWWQNUSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908026 897488374 /nfs/dbraw/zinc/48/83/74/897488374.db2.gz FWFNFGKRSSVLQF-ZFWWWQNUSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032418439 897532355 /nfs/dbraw/zinc/53/23/55/897532355.db2.gz BYFULFVFGHEVBX-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032418439 897532365 /nfs/dbraw/zinc/53/23/65/897532365.db2.gz BYFULFVFGHEVBX-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccon3)C2)OCC1=O ZINC001272757377 897545663 /nfs/dbraw/zinc/54/56/63/897545663.db2.gz PAYZHZPHLRHZOI-CQSZACIVSA-N 1 2 277.324 0.664 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccon3)C2)OCC1=O ZINC001272757377 897545676 /nfs/dbraw/zinc/54/56/76/897545676.db2.gz PAYZHZPHLRHZOI-CQSZACIVSA-N 1 2 277.324 0.664 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCCC2 ZINC001032425930 897546199 /nfs/dbraw/zinc/54/61/99/897546199.db2.gz PGAJYWUWJWYKHR-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCCC2 ZINC001032425930 897546207 /nfs/dbraw/zinc/54/62/07/897546207.db2.gz PGAJYWUWJWYKHR-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCC2 ZINC001032434780 897568556 /nfs/dbraw/zinc/56/85/56/897568556.db2.gz VJIDFIPPIMFYSW-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCC2 ZINC001032434780 897568565 /nfs/dbraw/zinc/56/85/65/897568565.db2.gz VJIDFIPPIMFYSW-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477624 897624794 /nfs/dbraw/zinc/62/47/94/897624794.db2.gz NLXALXVSQDEHGQ-RYUDHWBXSA-N 1 2 281.319 0.985 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cccnc2n1 ZINC001032497019 897655828 /nfs/dbraw/zinc/65/58/28/897655828.db2.gz XMONFKHVDVESFO-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cccnc2n1 ZINC001032497019 897655832 /nfs/dbraw/zinc/65/58/32/897655832.db2.gz XMONFKHVDVESFO-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001032562187 897749816 /nfs/dbraw/zinc/74/98/16/897749816.db2.gz MKLHYUHVUZXOKD-AVGNSLFASA-N 1 2 291.395 0.762 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032562187 897749822 /nfs/dbraw/zinc/74/98/22/897749822.db2.gz MKLHYUHVUZXOKD-AVGNSLFASA-N 1 2 291.395 0.762 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nnc2c1CCCC2 ZINC001032630997 897851214 /nfs/dbraw/zinc/85/12/14/897851214.db2.gz BXHNBSKDXXCQSH-STQMWFEESA-N 1 2 299.378 0.075 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nnc2c1CCCC2 ZINC001032630997 897851221 /nfs/dbraw/zinc/85/12/21/897851221.db2.gz BXHNBSKDXXCQSH-STQMWFEESA-N 1 2 299.378 0.075 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc(C)cnc12 ZINC001032657549 897902915 /nfs/dbraw/zinc/90/29/15/897902915.db2.gz PRGYPXCPBSNORL-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc(C)cnc12 ZINC001032657549 897902922 /nfs/dbraw/zinc/90/29/22/897902922.db2.gz PRGYPXCPBSNORL-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001032719467 897967807 /nfs/dbraw/zinc/96/78/07/897967807.db2.gz ITQJPSKBVXUJHD-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001032719467 897967809 /nfs/dbraw/zinc/96/78/09/897967809.db2.gz ITQJPSKBVXUJHD-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)cn1 ZINC001032734828 898037963 /nfs/dbraw/zinc/03/79/63/898037963.db2.gz FPZADPLJPCWCIC-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)cn1 ZINC001032734828 898037978 /nfs/dbraw/zinc/03/79/78/898037978.db2.gz FPZADPLJPCWCIC-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)cn1 ZINC001032740083 898050794 /nfs/dbraw/zinc/05/07/94/898050794.db2.gz SZEKXIKMAPQQFM-HOTGVXAUSA-N 1 2 279.343 0.985 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)cn1 ZINC001032740083 898050804 /nfs/dbraw/zinc/05/08/04/898050804.db2.gz SZEKXIKMAPQQFM-HOTGVXAUSA-N 1 2 279.343 0.985 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC001116555411 898112450 /nfs/dbraw/zinc/11/24/50/898112450.db2.gz FXKQVLMCOPRLIC-JTQLQIEISA-N 1 2 278.360 0.297 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC001116555411 898112459 /nfs/dbraw/zinc/11/24/59/898112459.db2.gz FXKQVLMCOPRLIC-JTQLQIEISA-N 1 2 278.360 0.297 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](O)C1 ZINC001083796997 898140737 /nfs/dbraw/zinc/14/07/37/898140737.db2.gz GFLYWDZQMIOUEZ-KGLIPLIRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](O)C1 ZINC001083796997 898140742 /nfs/dbraw/zinc/14/07/42/898140742.db2.gz GFLYWDZQMIOUEZ-KGLIPLIRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001078033333 898190338 /nfs/dbraw/zinc/19/03/38/898190338.db2.gz DDMVJVBLVMGWQE-AAVRWANBSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001078033333 898190346 /nfs/dbraw/zinc/19/03/46/898190346.db2.gz DDMVJVBLVMGWQE-AAVRWANBSA-N 1 2 264.369 0.607 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001078149478 898269162 /nfs/dbraw/zinc/26/91/62/898269162.db2.gz GQEZDRKHLMRXJS-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001078149478 898269177 /nfs/dbraw/zinc/26/91/77/898269177.db2.gz GQEZDRKHLMRXJS-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001078188041 898285905 /nfs/dbraw/zinc/28/59/05/898285905.db2.gz PMFOJSBAILQPCT-TZMCWYRMSA-N 1 2 275.352 0.477 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001078188041 898285922 /nfs/dbraw/zinc/28/59/22/898285922.db2.gz PMFOJSBAILQPCT-TZMCWYRMSA-N 1 2 275.352 0.477 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001078260880 898322750 /nfs/dbraw/zinc/32/27/50/898322750.db2.gz ZQVVOJVQJHJROO-NXEZZACHSA-N 1 2 281.381 0.666 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001078260880 898322761 /nfs/dbraw/zinc/32/27/61/898322761.db2.gz ZQVVOJVQJHJROO-NXEZZACHSA-N 1 2 281.381 0.666 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)NCC#N ZINC001485895795 898492902 /nfs/dbraw/zinc/49/29/02/898492902.db2.gz VQEIHBQMOXKABN-VXGBXAGGSA-N 1 2 275.356 0.406 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC001326953465 914288629 /nfs/dbraw/zinc/28/86/29/914288629.db2.gz JISDCCXGADPBBL-UHFFFAOYSA-N 1 2 291.395 0.555 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001492999914 899159576 /nfs/dbraw/zinc/15/95/76/899159576.db2.gz HZBLXOKPUCNXDX-UHFFFAOYSA-N 1 2 295.387 0.259 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001492999914 899159580 /nfs/dbraw/zinc/15/95/80/899159580.db2.gz HZBLXOKPUCNXDX-UHFFFAOYSA-N 1 2 295.387 0.259 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC001327216032 914424321 /nfs/dbraw/zinc/42/43/21/914424321.db2.gz VGZVRYXQPBZSQV-UHFFFAOYSA-N 1 2 277.368 0.470 20 30 CCEDLO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1ncn[nH]1 ZINC001489053496 900430381 /nfs/dbraw/zinc/43/03/81/900430381.db2.gz RCDRIXSPOIGUHK-OLZOCXBDSA-N 1 2 289.383 0.587 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001327259877 914447649 /nfs/dbraw/zinc/44/76/49/914447649.db2.gz NXRNWSHEFJWGMG-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO CN(CC#N)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001490220595 900567464 /nfs/dbraw/zinc/56/74/64/900567464.db2.gz ZZIQLZODXOLNKA-GFCCVEGCSA-N 1 2 275.356 0.407 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001490440079 900620933 /nfs/dbraw/zinc/62/09/33/900620933.db2.gz IGFCNNCONNDWME-SNVBAGLBSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001490440079 900620939 /nfs/dbraw/zinc/62/09/39/900620939.db2.gz IGFCNNCONNDWME-SNVBAGLBSA-N 1 2 287.791 0.831 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001490448222 900623894 /nfs/dbraw/zinc/62/38/94/900623894.db2.gz ZDSAJEVSMFVDQP-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001490448222 900623898 /nfs/dbraw/zinc/62/38/98/900623898.db2.gz ZDSAJEVSMFVDQP-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001490424642 900624439 /nfs/dbraw/zinc/62/44/39/900624439.db2.gz GHNNKSNTYOIJBG-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001490424642 900624446 /nfs/dbraw/zinc/62/44/46/900624446.db2.gz GHNNKSNTYOIJBG-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001490774139 900723870 /nfs/dbraw/zinc/72/38/70/900723870.db2.gz GULIXJASPNDHOL-LBPRGKRZSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001490825295 902030022 /nfs/dbraw/zinc/03/00/22/902030022.db2.gz ZYXIXFWFCSQXJR-JQWIXIFHSA-N 1 2 292.339 0.107 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)OC)CO2 ZINC001327380924 902151390 /nfs/dbraw/zinc/15/13/90/902151390.db2.gz WWGQYPNAYWSHSN-STQMWFEESA-N 1 2 280.368 0.394 20 30 CCEDLO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001398274248 914598849 /nfs/dbraw/zinc/59/88/49/914598849.db2.gz TXRQNRAYPHVQLI-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO N#CCCN1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001413043538 902519018 /nfs/dbraw/zinc/51/90/18/902519018.db2.gz ADICHNWYWVMOOG-ZDUSSCGKSA-N 1 2 285.413 0.342 20 30 CCEDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCCCC#N ZINC001327662042 914685932 /nfs/dbraw/zinc/68/59/32/914685932.db2.gz KIUDANFEPBEZRT-LLVKDONJSA-N 1 2 267.329 0.434 20 30 CCEDLO C#CC[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)C(=O)OC ZINC001462332219 903099191 /nfs/dbraw/zinc/09/91/91/903099191.db2.gz IFSXEPHNLHFTJW-PWSUYJOCSA-N 1 2 287.381 0.354 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001413711124 903204080 /nfs/dbraw/zinc/20/40/80/903204080.db2.gz FAFZKEXHLSVPCU-GYSYKLTISA-N 1 2 274.324 0.665 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001281968783 903996106 /nfs/dbraw/zinc/99/61/06/903996106.db2.gz OQSCFEZKZSDQAH-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)nn1 ZINC001327828654 914791098 /nfs/dbraw/zinc/79/10/98/914791098.db2.gz BQWXFHNUXPEQRS-WCQYABFASA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)nn1 ZINC001327828654 914791110 /nfs/dbraw/zinc/79/11/10/914791110.db2.gz BQWXFHNUXPEQRS-WCQYABFASA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282100873 904413083 /nfs/dbraw/zinc/41/30/83/904413083.db2.gz YZEFWCULZHMMPS-VHSXEESVSA-N 1 2 266.349 0.159 20 30 CCEDLO C=C1CCC(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)CC1 ZINC001282529630 904501391 /nfs/dbraw/zinc/50/13/91/904501391.db2.gz KQDVNQUNHMKTPQ-ZDUSSCGKSA-N 1 2 296.411 0.667 20 30 CCEDLO C=C1CCC(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)CC1 ZINC001282529629 904502000 /nfs/dbraw/zinc/50/20/00/904502000.db2.gz KQDVNQUNHMKTPQ-CYBMUJFWSA-N 1 2 296.411 0.667 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC)C1 ZINC001282683029 904520303 /nfs/dbraw/zinc/52/03/03/904520303.db2.gz VTHVQIMDNQABHO-SNVBAGLBSA-N 1 2 253.346 0.135 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CCC)NC(N)=O ZINC001377251393 904725719 /nfs/dbraw/zinc/72/57/19/904725719.db2.gz WBGQIWODQBPVSD-SNVBAGLBSA-N 1 2 290.795 0.624 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CCC)NC(N)=O ZINC001377251393 904725732 /nfs/dbraw/zinc/72/57/32/904725732.db2.gz WBGQIWODQBPVSD-SNVBAGLBSA-N 1 2 290.795 0.624 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ncccn1 ZINC001283360378 904827955 /nfs/dbraw/zinc/82/79/55/904827955.db2.gz UUYOMWONCXKAPL-LBPRGKRZSA-N 1 2 291.355 0.201 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ncccn1 ZINC001283360378 904827978 /nfs/dbraw/zinc/82/79/78/904827978.db2.gz UUYOMWONCXKAPL-LBPRGKRZSA-N 1 2 291.355 0.201 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C[C@@H]1C ZINC001283967662 905101013 /nfs/dbraw/zinc/10/10/13/905101013.db2.gz ZCUVSVYHXPIWBC-WDEREUQCSA-N 1 2 296.396 0.820 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001336982918 921141019 /nfs/dbraw/zinc/14/10/19/921141019.db2.gz RYEKIWSUUUSJCR-MROQNXINSA-N 1 2 296.367 0.507 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285362367 905608671 /nfs/dbraw/zinc/60/86/71/905608671.db2.gz TZQVNPZPVHPUMO-CHWSQXEVSA-N 1 2 290.367 0.552 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285664118 905711516 /nfs/dbraw/zinc/71/15/16/905711516.db2.gz KPFWGXVLUFXCCI-LLVKDONJSA-N 1 2 278.356 0.716 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(F)F ZINC001337086812 921181252 /nfs/dbraw/zinc/18/12/52/921181252.db2.gz KEFPIKJINYOWBM-BQBZGAKWSA-N 1 2 250.245 0.203 20 30 CCEDLO CCN(C(=O)C[N@H+](C)CCNC(=O)C#CC(C)C)C1CC1 ZINC001492246711 907798553 /nfs/dbraw/zinc/79/85/53/907798553.db2.gz CZQLBBREUNWUHZ-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO CCN(C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)C)C1CC1 ZINC001492246711 907798557 /nfs/dbraw/zinc/79/85/57/907798557.db2.gz CZQLBBREUNWUHZ-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@]1(C)CC=CCC1)CC(=O)NCC#N ZINC001492263424 907814616 /nfs/dbraw/zinc/81/46/16/907814616.db2.gz WUOFTDODOXDWSE-HNNXBMFYSA-N 1 2 292.383 0.421 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@]1(C)CC=CCC1)CC(=O)NCC#N ZINC001492263424 907814625 /nfs/dbraw/zinc/81/46/25/907814625.db2.gz WUOFTDODOXDWSE-HNNXBMFYSA-N 1 2 292.383 0.421 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCC1(NCC#N)CCCC1 ZINC001495927795 907897840 /nfs/dbraw/zinc/89/78/40/907897840.db2.gz VZCOSWWAWKDNSE-UHFFFAOYSA-N 1 2 289.383 0.895 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001492399667 907906086 /nfs/dbraw/zinc/90/60/86/907906086.db2.gz LMFSDKRIKJJBPU-HNNXBMFYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001492399667 907906103 /nfs/dbraw/zinc/90/61/03/907906103.db2.gz LMFSDKRIKJJBPU-HNNXBMFYSA-N 1 2 281.400 0.869 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 ZINC001301545208 907970926 /nfs/dbraw/zinc/97/09/26/907970926.db2.gz FLCNRBVYXLKUPN-SNVBAGLBSA-N 1 2 259.269 0.083 20 30 CCEDLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)c2nccn21 ZINC001308845069 908439124 /nfs/dbraw/zinc/43/91/24/908439124.db2.gz YZEXCMIUHVOMAQ-KXUCPTDWSA-N 1 2 250.302 0.859 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001386108432 908601540 /nfs/dbraw/zinc/60/15/40/908601540.db2.gz PJZJOQNUFNJUSZ-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C(F)(F)F ZINC001316967323 908881588 /nfs/dbraw/zinc/88/15/88/908881588.db2.gz ZLTBMXOUYHQPAJ-JTQLQIEISA-N 1 2 292.305 0.442 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001316967211 908881915 /nfs/dbraw/zinc/88/19/15/908881915.db2.gz VOGSBXDQNSIREL-OAHLLOKOSA-N 1 2 290.411 0.990 20 30 CCEDLO N#CCN[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317017128 908921733 /nfs/dbraw/zinc/92/17/33/908921733.db2.gz ASYOTBFGKXTTEH-JSGCOSHPSA-N 1 2 287.367 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001386975530 908982779 /nfs/dbraw/zinc/98/27/79/908982779.db2.gz OVXLZPYLJPCOLZ-GHMZBOCLSA-N 1 2 277.328 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)CCc1[nH+]ccn1C ZINC001387045701 909010416 /nfs/dbraw/zinc/01/04/16/909010416.db2.gz VRZOJIRZVHOEPF-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001317163776 909020381 /nfs/dbraw/zinc/02/03/81/909020381.db2.gz ALUSEDILSULMFF-GFCCVEGCSA-N 1 2 280.372 0.397 20 30 CCEDLO CCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001317163776 909020390 /nfs/dbraw/zinc/02/03/90/909020390.db2.gz ALUSEDILSULMFF-GFCCVEGCSA-N 1 2 280.372 0.397 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001317171147 909024260 /nfs/dbraw/zinc/02/42/60/909024260.db2.gz OMSLPWFIQOKGMS-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001317171147 909024277 /nfs/dbraw/zinc/02/42/77/909024277.db2.gz OMSLPWFIQOKGMS-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001317298854 909124539 /nfs/dbraw/zinc/12/45/39/909124539.db2.gz QMAZVADRFHDJSR-NSHDSACASA-N 1 2 293.371 0.792 20 30 CCEDLO CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493836 909269137 /nfs/dbraw/zinc/26/91/37/909269137.db2.gz GTLRBNKFPXPRBD-LBPRGKRZSA-N 1 2 280.372 0.397 20 30 CCEDLO CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493836 909269148 /nfs/dbraw/zinc/26/91/48/909269148.db2.gz GTLRBNKFPXPRBD-LBPRGKRZSA-N 1 2 280.372 0.397 20 30 CCEDLO CCN(CCNC(=O)CCn1cc[nH+]c1)C(=O)[C@@H](C)C#N ZINC001388360518 909446355 /nfs/dbraw/zinc/44/63/55/909446355.db2.gz VTZRMZPQOIUHFV-LBPRGKRZSA-N 1 2 291.355 0.398 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](OCC)[C@@H]2CCOC2)C1 ZINC001318048136 909596066 /nfs/dbraw/zinc/59/60/66/909596066.db2.gz QEEZHBDNLWLARM-TZMCWYRMSA-N 1 2 280.368 0.252 20 30 CCEDLO CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001318541927 909806385 /nfs/dbraw/zinc/80/63/85/909806385.db2.gz PAXIMKXRJAVPLO-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318568592 909817657 /nfs/dbraw/zinc/81/76/57/909817657.db2.gz AXYHFXMAWRLTGX-BXUZGUMPSA-N 1 2 294.403 0.797 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001319298614 910083682 /nfs/dbraw/zinc/08/36/82/910083682.db2.gz WKNKFHLVMAFQRP-KBPBESRZSA-N 1 2 298.383 0.043 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001319298614 910083695 /nfs/dbraw/zinc/08/36/95/910083695.db2.gz WKNKFHLVMAFQRP-KBPBESRZSA-N 1 2 298.383 0.043 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)c(F)c1 ZINC001319461662 910161713 /nfs/dbraw/zinc/16/17/13/910161713.db2.gz AEHIMVFRZKLMDN-UHFFFAOYSA-N 1 2 295.339 0.847 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001319553705 910198616 /nfs/dbraw/zinc/19/86/16/910198616.db2.gz ORVDUYRJUQESHC-CYBMUJFWSA-N 1 2 264.300 0.934 20 30 CCEDLO C#CCOCC[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001319553705 910198624 /nfs/dbraw/zinc/19/86/24/910198624.db2.gz ORVDUYRJUQESHC-CYBMUJFWSA-N 1 2 264.300 0.934 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001320325192 910610441 /nfs/dbraw/zinc/61/04/41/910610441.db2.gz NQDMIXJEZISMFO-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001320325192 910610450 /nfs/dbraw/zinc/61/04/50/910610450.db2.gz NQDMIXJEZISMFO-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001391471237 911162949 /nfs/dbraw/zinc/16/29/49/911162949.db2.gz FJZBFDCLNFZYLW-NSHDSACASA-N 1 2 292.383 0.110 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001391504633 911182574 /nfs/dbraw/zinc/18/25/74/911182574.db2.gz PJNMDTKPIQHCNS-JQWIXIFHSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C[C@H](COC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC001322229976 911718154 /nfs/dbraw/zinc/71/81/54/911718154.db2.gz HWIMGTYMIPOSMB-ZJUUUORDSA-N 1 2 264.285 0.074 20 30 CCEDLO C=C[C@H](COC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC001322229976 911718162 /nfs/dbraw/zinc/71/81/62/911718162.db2.gz HWIMGTYMIPOSMB-ZJUUUORDSA-N 1 2 264.285 0.074 20 30 CCEDLO C[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1CCCC1 ZINC001492494153 911970583 /nfs/dbraw/zinc/97/05/83/911970583.db2.gz QPLUACBHVNCLPY-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1CCCC1 ZINC001492494153 911970601 /nfs/dbraw/zinc/97/06/01/911970601.db2.gz QPLUACBHVNCLPY-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643732 912028513 /nfs/dbraw/zinc/02/85/13/912028513.db2.gz TXBRIINIGIWARV-NEPJUHHUSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643732 912028528 /nfs/dbraw/zinc/02/85/28/912028528.db2.gz TXBRIINIGIWARV-NEPJUHHUSA-N 1 2 289.383 0.925 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCC=C ZINC001323231926 912206128 /nfs/dbraw/zinc/20/61/28/912206128.db2.gz MIQCSXSMYLONQE-KGLIPLIRSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCC=C ZINC001323231926 912206147 /nfs/dbraw/zinc/20/61/47/912206147.db2.gz MIQCSXSMYLONQE-KGLIPLIRSA-N 1 2 291.395 0.671 20 30 CCEDLO C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001328362411 915142313 /nfs/dbraw/zinc/14/23/13/915142313.db2.gz DUVIGWVTDGKPKU-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001399629405 915275364 /nfs/dbraw/zinc/27/53/64/915275364.db2.gz BFTZDGQMJZAELR-CMPLNLGQSA-N 1 2 291.355 0.369 20 30 CCEDLO COCC#CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001329278248 915788117 /nfs/dbraw/zinc/78/81/17/915788117.db2.gz MOEAVEQEFYFHGO-LBPRGKRZSA-N 1 2 261.325 0.776 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001329637536 916087129 /nfs/dbraw/zinc/08/71/29/916087129.db2.gz FPGOLPTZXXQMMW-NWDGAFQWSA-N 1 2 252.358 0.772 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)COC)C2)C1 ZINC001330159606 916443804 /nfs/dbraw/zinc/44/38/04/916443804.db2.gz GESOZXANLGCEGX-ZBFHGGJFSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)COC)C2)C1 ZINC001330159606 916443811 /nfs/dbraw/zinc/44/38/11/916443811.db2.gz GESOZXANLGCEGX-ZBFHGGJFSA-N 1 2 294.395 0.596 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)Cc2n[nH]c(C)n2)CC1 ZINC001401943321 916722525 /nfs/dbraw/zinc/72/25/25/916722525.db2.gz FWTDXFWQYQHXFR-UHFFFAOYSA-N 1 2 283.763 0.647 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2(C(=O)NC)CCOCC2)nn1 ZINC001331537429 917404804 /nfs/dbraw/zinc/40/48/04/917404804.db2.gz JWOZZEUDJUFSFQ-UHFFFAOYSA-N 1 2 293.371 0.239 20 30 CCEDLO N#CCN[C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001331755186 917575165 /nfs/dbraw/zinc/57/51/65/917575165.db2.gz AMTKHNUOXHIYDQ-ZDUSSCGKSA-N 1 2 299.334 0.076 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001332058148 917828946 /nfs/dbraw/zinc/82/89/46/917828946.db2.gz LAVMYTLQDSBZMN-NWDGAFQWSA-N 1 2 290.367 0.101 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)OCC ZINC001332099100 917863487 /nfs/dbraw/zinc/86/34/87/917863487.db2.gz HRLUAHCYRCIBGZ-STQMWFEESA-N 1 2 278.352 0.708 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)OCC ZINC001332099100 917863496 /nfs/dbraw/zinc/86/34/96/917863496.db2.gz HRLUAHCYRCIBGZ-STQMWFEESA-N 1 2 278.352 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001332125604 917882178 /nfs/dbraw/zinc/88/21/78/917882178.db2.gz JZRXAOKRDFFFEW-MXWKQRLJSA-N 1 2 254.330 0.738 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001332242407 917988717 /nfs/dbraw/zinc/98/87/17/917988717.db2.gz VHFFNQQZBNIGQK-GXYBRJDSSA-N 1 2 274.364 0.624 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001332242407 917988731 /nfs/dbraw/zinc/98/87/31/917988731.db2.gz VHFFNQQZBNIGQK-GXYBRJDSSA-N 1 2 274.364 0.624 20 30 CCEDLO Cc1noc(C2C[NH+](Cc3cnc4c(C#N)cnn4c3)C2)n1 ZINC001332434641 918155465 /nfs/dbraw/zinc/15/54/65/918155465.db2.gz CQVLFJFYSHMQFL-UHFFFAOYSA-N 1 2 295.306 0.892 20 30 CCEDLO C=CCn1cc(CNC(=O)NCc2c[nH+]cn2C)nn1 ZINC001332630306 918328556 /nfs/dbraw/zinc/32/85/56/918328556.db2.gz HZACVNBKPOBNDG-UHFFFAOYSA-N 1 2 275.316 0.197 20 30 CCEDLO N#CCN1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC001332875996 918503103 /nfs/dbraw/zinc/50/31/03/918503103.db2.gz GEDXBJBMHMQEGT-LBPRGKRZSA-N 1 2 288.355 0.095 20 30 CCEDLO C=CCn1nnnc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001333672713 919089488 /nfs/dbraw/zinc/08/94/88/919089488.db2.gz GYKWKJWNRFPAIW-NWDGAFQWSA-N 1 2 278.360 0.159 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC001407041958 919585190 /nfs/dbraw/zinc/58/51/90/919585190.db2.gz UQDLUHRIPAARGH-LLVKDONJSA-N 1 2 275.356 0.265 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001407709568 919857257 /nfs/dbraw/zinc/85/72/57/919857257.db2.gz AGMKSCHVPVZKHW-SKDRFNHKSA-N 1 2 289.339 0.123 20 30 CCEDLO CCc1nnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCC2)o1 ZINC001407774491 919882074 /nfs/dbraw/zinc/88/20/74/919882074.db2.gz MKMKXQZIWIMVGZ-JTQLQIEISA-N 1 2 291.355 0.920 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)COCC)CC1 ZINC001408249949 920110498 /nfs/dbraw/zinc/11/04/98/920110498.db2.gz WHIODBCSTJXMPQ-UHFFFAOYSA-N 1 2 290.791 0.719 20 30 CCEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N)nc1 ZINC001414655783 920449202 /nfs/dbraw/zinc/44/92/02/920449202.db2.gz XBHMOYOVRBBQQF-UHFFFAOYSA-N 1 2 282.307 0.930 20 30 CCEDLO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1ccccc1C#N ZINC001418243057 921956567 /nfs/dbraw/zinc/95/65/67/921956567.db2.gz LHFNEFSDBPNPLN-SNVBAGLBSA-N 1 2 284.323 0.584 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340573108 922126031 /nfs/dbraw/zinc/12/60/31/922126031.db2.gz VQSUVTVFXLUJFS-GXFFZTMASA-N 1 2 281.360 0.373 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340573108 922126039 /nfs/dbraw/zinc/12/60/39/922126039.db2.gz VQSUVTVFXLUJFS-GXFFZTMASA-N 1 2 281.360 0.373 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)CC)C1 ZINC001419105594 922636011 /nfs/dbraw/zinc/63/60/11/922636011.db2.gz NDHUXSONFODMBU-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)CC)C1 ZINC001419105594 922636024 /nfs/dbraw/zinc/63/60/24/922636024.db2.gz NDHUXSONFODMBU-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCN(C/C=C/Cl)CC1 ZINC001419123868 922645522 /nfs/dbraw/zinc/64/55/22/922645522.db2.gz BETHPUZGOIGSGX-QAVQXKDTSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](C/C=C/Cl)CC1 ZINC001419123868 922645533 /nfs/dbraw/zinc/64/55/33/922645533.db2.gz BETHPUZGOIGSGX-QAVQXKDTSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCN(C/C=C\Cl)CC1 ZINC001419123872 922648071 /nfs/dbraw/zinc/64/80/71/922648071.db2.gz BETHPUZGOIGSGX-ZZKXABKFSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](C/C=C\Cl)CC1 ZINC001419123872 922648085 /nfs/dbraw/zinc/64/80/85/922648085.db2.gz BETHPUZGOIGSGX-ZZKXABKFSA-N 1 2 284.791 0.632 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001341808240 922682678 /nfs/dbraw/zinc/68/26/78/922682678.db2.gz FBTSUAJDPNHYOJ-OLZOCXBDSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001341808240 922682685 /nfs/dbraw/zinc/68/26/85/922682685.db2.gz FBTSUAJDPNHYOJ-OLZOCXBDSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3n[nH]cc3C)n2CC)CC1 ZINC001342640467 923035850 /nfs/dbraw/zinc/03/58/50/923035850.db2.gz FQCVQYKUGQLFAX-UHFFFAOYSA-N 1 2 299.382 0.752 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001342732281 923072537 /nfs/dbraw/zinc/07/25/37/923072537.db2.gz KKUSECHCBNDYCQ-FRRDWIJNSA-N 1 2 285.388 0.596 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCN1CCCC1=O ZINC001420354993 923573330 /nfs/dbraw/zinc/57/33/30/923573330.db2.gz FJIXDTKVOPJFBA-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCN1CCCC1=O ZINC001420354993 923573342 /nfs/dbraw/zinc/57/33/42/923573342.db2.gz FJIXDTKVOPJFBA-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO COCCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001420404861 923633684 /nfs/dbraw/zinc/63/36/84/923633684.db2.gz OHGRIXVGRBIEDB-UWVGGRQHSA-N 1 2 295.343 0.012 20 30 CCEDLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001420471781 923696598 /nfs/dbraw/zinc/69/65/98/923696598.db2.gz HLFJUWGORTYRRB-RYUDHWBXSA-N 1 2 290.371 0.538 20 30 CCEDLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001420471781 923696609 /nfs/dbraw/zinc/69/66/09/923696609.db2.gz HLFJUWGORTYRRB-RYUDHWBXSA-N 1 2 290.371 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001420694597 923877957 /nfs/dbraw/zinc/87/79/57/923877957.db2.gz PTQRGPARWIUSFY-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001420694597 923877961 /nfs/dbraw/zinc/87/79/61/923877961.db2.gz PTQRGPARWIUSFY-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO CCC#CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001345612878 923927197 /nfs/dbraw/zinc/92/71/97/923927197.db2.gz RFOANXBBLWJVHC-KGLIPLIRSA-N 1 2 281.352 0.823 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351787986 925472106 /nfs/dbraw/zinc/47/21/06/925472106.db2.gz RWQGLWLBIMPWCN-KGLIPLIRSA-N 1 2 298.431 0.465 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001351787986 925472112 /nfs/dbraw/zinc/47/21/12/925472112.db2.gz RWQGLWLBIMPWCN-KGLIPLIRSA-N 1 2 298.431 0.465 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001352310883 925559367 /nfs/dbraw/zinc/55/93/67/925559367.db2.gz VTHZXUATBIKDAP-HUBLWGQQSA-N 1 2 291.399 0.668 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001352310883 925559375 /nfs/dbraw/zinc/55/93/75/925559375.db2.gz VTHZXUATBIKDAP-HUBLWGQQSA-N 1 2 291.399 0.668 20 30 CCEDLO C#CCN(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001356500802 926393759 /nfs/dbraw/zinc/39/37/59/926393759.db2.gz FUTBVIJNULXNCJ-GFCCVEGCSA-N 1 2 277.372 0.324 20 30 CCEDLO C#CCN(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001356500802 926393768 /nfs/dbraw/zinc/39/37/68/926393768.db2.gz FUTBVIJNULXNCJ-GFCCVEGCSA-N 1 2 277.372 0.324 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001356899417 926462574 /nfs/dbraw/zinc/46/25/74/926462574.db2.gz BKPPFQLRUUOYSO-CYBMUJFWSA-N 1 2 288.351 0.308 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001421315653 926669577 /nfs/dbraw/zinc/66/95/77/926669577.db2.gz XOVSBFUPILIZOS-NEPJUHHUSA-N 1 2 290.791 0.933 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001421315653 926669585 /nfs/dbraw/zinc/66/95/85/926669585.db2.gz XOVSBFUPILIZOS-NEPJUHHUSA-N 1 2 290.791 0.933 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccn(C)n1 ZINC001421859923 926954477 /nfs/dbraw/zinc/95/44/77/926954477.db2.gz ATFUJVQNVHODDY-GFCCVEGCSA-N 1 2 288.355 0.727 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001421959183 927009510 /nfs/dbraw/zinc/00/95/10/927009510.db2.gz CZQQWRCXCIKIOM-RYUDHWBXSA-N 1 2 272.370 0.162 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001421959183 927009521 /nfs/dbraw/zinc/00/95/21/927009521.db2.gz CZQQWRCXCIKIOM-RYUDHWBXSA-N 1 2 272.370 0.162 20 30 CCEDLO CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001422790824 927515720 /nfs/dbraw/zinc/51/57/20/927515720.db2.gz CVCNQZXUYDWCCT-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001422790824 927515730 /nfs/dbraw/zinc/51/57/30/927515730.db2.gz CVCNQZXUYDWCCT-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424328622 928161372 /nfs/dbraw/zinc/16/13/72/928161372.db2.gz GZSFKPMBITWPOW-UWVGGRQHSA-N 1 2 277.328 0.075 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363193507 928963995 /nfs/dbraw/zinc/96/39/95/928963995.db2.gz CWZWXDAUPSMRKX-ZDUSSCGKSA-N 1 2 284.319 0.923 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363193507 928964008 /nfs/dbraw/zinc/96/40/08/928964008.db2.gz CWZWXDAUPSMRKX-ZDUSSCGKSA-N 1 2 284.319 0.923 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001443604595 929659420 /nfs/dbraw/zinc/65/94/20/929659420.db2.gz ZERCVPBWWDXKDW-QMMMGPOBSA-N 1 2 273.764 0.298 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001372928830 930021558 /nfs/dbraw/zinc/02/15/58/930021558.db2.gz YZAVWONRONSUMJ-UWVGGRQHSA-N 1 2 295.343 0.485 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)N2CCCCC2)C1 ZINC001373503777 930222926 /nfs/dbraw/zinc/22/29/26/930222926.db2.gz PNEFNRMMODOGLS-GFCCVEGCSA-N 1 2 292.383 0.207 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001446833242 930495906 /nfs/dbraw/zinc/49/59/06/930495906.db2.gz STEXGKUWXVXXEK-RYUDHWBXSA-N 1 2 295.383 0.124 20 30 CCEDLO CC(C)OCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001447401052 930625030 /nfs/dbraw/zinc/62/50/30/930625030.db2.gz RJMLIPVNGVUORJ-STQMWFEESA-N 1 2 295.383 0.531 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599580144 361752299 /nfs/dbraw/zinc/75/22/99/361752299.db2.gz HHKGYONLZIGLSW-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599580144 361752302 /nfs/dbraw/zinc/75/23/02/361752302.db2.gz HHKGYONLZIGLSW-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000599662804 361776743 /nfs/dbraw/zinc/77/67/43/361776743.db2.gz AIMCFLADKKEVMQ-AWEZNQCLSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000599662804 361776748 /nfs/dbraw/zinc/77/67/48/361776748.db2.gz AIMCFLADKKEVMQ-AWEZNQCLSA-N 1 2 289.335 0.513 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600422639 361956672 /nfs/dbraw/zinc/95/66/72/361956672.db2.gz WQFSUTKISLRKCA-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422639 361956673 /nfs/dbraw/zinc/95/66/73/361956673.db2.gz WQFSUTKISLRKCA-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccc(C#N)cc1 ZINC000600426719 361959899 /nfs/dbraw/zinc/95/98/99/361959899.db2.gz SOFVVWVSTONALL-ZDUSSCGKSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccc(C#N)cc1 ZINC000600426719 361959901 /nfs/dbraw/zinc/95/99/01/361959901.db2.gz SOFVVWVSTONALL-ZDUSSCGKSA-N 1 2 289.335 0.384 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352822836 529488185 /nfs/dbraw/zinc/48/81/85/529488185.db2.gz HLHIIXWHFUIXPB-AWEZNQCLSA-N 1 2 275.356 0.994 20 30 CCEDLO Cn1ncc2c1nc[nH+]c2NC1CCN(CC#N)CC1 ZINC000110824987 349763778 /nfs/dbraw/zinc/76/37/78/349763778.db2.gz PBDHUMTVCBTPMV-UHFFFAOYSA-N 1 2 271.328 0.763 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CC)CCC#N ZINC000112731237 349790424 /nfs/dbraw/zinc/79/04/24/349790424.db2.gz DVMCHTRKIHSUMT-UHFFFAOYSA-N 1 2 268.361 0.207 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CC)CCC#N ZINC000112731237 349790426 /nfs/dbraw/zinc/79/04/26/349790426.db2.gz DVMCHTRKIHSUMT-UHFFFAOYSA-N 1 2 268.361 0.207 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333057498 529783498 /nfs/dbraw/zinc/78/34/98/529783498.db2.gz AQFKGVIQIVEPTA-WFASDCNBSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333057498 529783500 /nfs/dbraw/zinc/78/35/00/529783500.db2.gz AQFKGVIQIVEPTA-WFASDCNBSA-N 1 2 277.368 0.907 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115383219 349854351 /nfs/dbraw/zinc/85/43/51/349854351.db2.gz MXNQQDRFYRMUHM-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO CN(C[C@H]1CCC[N@H+](CCC#N)C1)S(C)(=O)=O ZINC000352571654 529965978 /nfs/dbraw/zinc/96/59/78/529965978.db2.gz XFNIHBDWIPGLSE-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C[C@H]1CCC[N@@H+](CCC#N)C1)S(C)(=O)=O ZINC000352571654 529965979 /nfs/dbraw/zinc/96/59/79/529965979.db2.gz XFNIHBDWIPGLSE-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO Cc1[nH]n(CCC[NH+]2CCOCC2)c(=O)c1CCC#N ZINC000601947035 362433537 /nfs/dbraw/zinc/43/35/37/362433537.db2.gz DMSKHDVQYQEYHN-ZDUSSCGKSA-N 1 2 278.356 0.847 20 30 CCEDLO N#CCC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000602305617 362581973 /nfs/dbraw/zinc/58/19/73/362581973.db2.gz FZPQYQXDPBCFOR-SNVBAGLBSA-N 1 2 259.313 0.801 20 30 CCEDLO COC(=O)c1[nH]c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1C ZINC000602694788 362755835 /nfs/dbraw/zinc/75/58/35/362755835.db2.gz CLQOJOXWJLMSST-AWEZNQCLSA-N 1 2 277.324 0.960 20 30 CCEDLO COC(=O)c1[nH]c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1C ZINC000602694788 362755843 /nfs/dbraw/zinc/75/58/43/362755843.db2.gz CLQOJOXWJLMSST-AWEZNQCLSA-N 1 2 277.324 0.960 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000602748916 362781976 /nfs/dbraw/zinc/78/19/76/362781976.db2.gz WPPAWZNKBQOJCX-UHFFFAOYSA-N 1 2 259.357 0.861 20 30 CCEDLO C[C@@H](c1nccc(N)n1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847720 362834637 /nfs/dbraw/zinc/83/46/37/362834637.db2.gz CHTMICHESPFOJU-TUAOUCFPSA-N 1 2 274.372 0.868 20 30 CCEDLO C[C@@H](c1nccc(N)n1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847720 362834642 /nfs/dbraw/zinc/83/46/42/362834642.db2.gz CHTMICHESPFOJU-TUAOUCFPSA-N 1 2 274.372 0.868 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000019479186 348063135 /nfs/dbraw/zinc/06/31/35/348063135.db2.gz BMAOFHBAVNZQBR-UHFFFAOYSA-N 1 2 265.338 0.494 20 30 CCEDLO Cc1nc(C(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1C#N ZINC000029964516 348116786 /nfs/dbraw/zinc/11/67/86/348116786.db2.gz HIPTWJCJAVYCRQ-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000024055323 348086456 /nfs/dbraw/zinc/08/64/56/348086456.db2.gz SKULQYRBKDLTJB-UHFFFAOYSA-N 1 2 289.383 0.518 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc2c(c1)OCO2 ZINC000602869828 362852659 /nfs/dbraw/zinc/85/26/59/362852659.db2.gz PJGBQUULMNNPHX-SNVBAGLBSA-N 1 2 275.308 0.923 20 30 CCEDLO Cn1cc(C2=CCC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC000602885265 362864145 /nfs/dbraw/zinc/86/41/45/362864145.db2.gz FANKQPBOYIXIKY-UHFFFAOYSA-N 1 2 259.313 0.149 20 30 CCEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC000602885265 362864154 /nfs/dbraw/zinc/86/41/54/362864154.db2.gz FANKQPBOYIXIKY-UHFFFAOYSA-N 1 2 259.313 0.149 20 30 CCEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CCN1S(C)(=O)=O ZINC000602896568 362871172 /nfs/dbraw/zinc/87/11/72/362871172.db2.gz NZWKRCQOTFFECQ-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCN1S(C)(=O)=O ZINC000602896568 362871179 /nfs/dbraw/zinc/87/11/79/362871179.db2.gz NZWKRCQOTFFECQ-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000042267072 348271990 /nfs/dbraw/zinc/27/19/90/348271990.db2.gz JKQNRLFDEJJUHM-ZDUSSCGKSA-N 1 2 259.309 0.953 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042267072 348271995 /nfs/dbraw/zinc/27/19/95/348271995.db2.gz JKQNRLFDEJJUHM-ZDUSSCGKSA-N 1 2 259.309 0.953 20 30 CCEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000602906624 362880035 /nfs/dbraw/zinc/88/00/35/362880035.db2.gz YEEKAFYYNCNHQR-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000602906624 362880039 /nfs/dbraw/zinc/88/00/39/362880039.db2.gz YEEKAFYYNCNHQR-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000047262992 348373002 /nfs/dbraw/zinc/37/30/02/348373002.db2.gz VERUSULFASOFJB-CYBMUJFWSA-N 1 2 268.361 0.109 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000047262992 348373007 /nfs/dbraw/zinc/37/30/07/348373007.db2.gz VERUSULFASOFJB-CYBMUJFWSA-N 1 2 268.361 0.109 20 30 CCEDLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[C@@H]1C#N ZINC000602973931 362916486 /nfs/dbraw/zinc/91/64/86/362916486.db2.gz HWOKKJFKTNHNNN-AGIUHOORSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[C@@H]1C#N ZINC000602973931 362916494 /nfs/dbraw/zinc/91/64/94/362916494.db2.gz HWOKKJFKTNHNNN-AGIUHOORSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@H]1C#N ZINC000602980111 362920166 /nfs/dbraw/zinc/92/01/66/362920166.db2.gz LXMLBCOPTNFGDI-RYUDHWBXSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@H]1C#N ZINC000602980111 362920171 /nfs/dbraw/zinc/92/01/71/362920171.db2.gz LXMLBCOPTNFGDI-RYUDHWBXSA-N 1 2 271.386 0.646 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000347659072 137348165 /nfs/dbraw/zinc/34/81/65/137348165.db2.gz RKJAABQGMCBAGS-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000347659072 137348166 /nfs/dbraw/zinc/34/81/66/137348166.db2.gz RKJAABQGMCBAGS-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000048725727 348423922 /nfs/dbraw/zinc/42/39/22/348423922.db2.gz KLXBGGNFKXGCGW-UHFFFAOYSA-N 1 2 272.308 0.271 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000051791366 348494577 /nfs/dbraw/zinc/49/45/77/348494577.db2.gz JMXDGHOOAAQYNF-CQSZACIVSA-N 1 2 282.388 0.451 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000051791366 348494579 /nfs/dbraw/zinc/49/45/79/348494579.db2.gz JMXDGHOOAAQYNF-CQSZACIVSA-N 1 2 282.388 0.451 20 30 CCEDLO N#CCc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000058242328 348623051 /nfs/dbraw/zinc/62/30/51/348623051.db2.gz TYNFSMVEEDPXAO-UHFFFAOYSA-N 1 2 273.336 0.503 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)C[C@H](C)C#N ZINC000060038302 348640944 /nfs/dbraw/zinc/64/09/44/348640944.db2.gz PZCWTVHTBOERBD-GFCCVEGCSA-N 1 2 295.383 0.880 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)C[C@H](C)C#N ZINC000060038302 348640948 /nfs/dbraw/zinc/64/09/48/348640948.db2.gz PZCWTVHTBOERBD-GFCCVEGCSA-N 1 2 295.383 0.880 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437585 348742980 /nfs/dbraw/zinc/74/29/80/348742980.db2.gz IRARJBLUTSTJJH-UHFFFAOYSA-N 1 2 297.362 0.215 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437585 348742983 /nfs/dbraw/zinc/74/29/83/348742983.db2.gz IRARJBLUTSTJJH-UHFFFAOYSA-N 1 2 297.362 0.215 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1OCCc2ccccc21 ZINC000066497641 348745456 /nfs/dbraw/zinc/74/54/56/348745456.db2.gz LXZBQNCCBQQNCW-AWEZNQCLSA-N 1 2 273.336 0.872 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1OCCc2ccccc21 ZINC000066497641 348745462 /nfs/dbraw/zinc/74/54/62/348745462.db2.gz LXZBQNCCBQQNCW-AWEZNQCLSA-N 1 2 273.336 0.872 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCOCCC#N)CCO1 ZINC000603005084 362933753 /nfs/dbraw/zinc/93/37/53/362933753.db2.gz AITMCDWLNXALQK-CYBMUJFWSA-N 1 2 270.329 0.571 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCOCCC#N)CCO1 ZINC000603005084 362933759 /nfs/dbraw/zinc/93/37/59/362933759.db2.gz AITMCDWLNXALQK-CYBMUJFWSA-N 1 2 270.329 0.571 20 30 CCEDLO N#CCCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021676 362941882 /nfs/dbraw/zinc/94/18/82/362941882.db2.gz VEDSTIMVPLXTNE-UHFFFAOYSA-N 1 2 279.365 0.996 20 30 CCEDLO N#CCCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021676 362941886 /nfs/dbraw/zinc/94/18/86/362941886.db2.gz VEDSTIMVPLXTNE-UHFFFAOYSA-N 1 2 279.365 0.996 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000104788090 186023709 /nfs/dbraw/zinc/02/37/09/186023709.db2.gz VAAHPSIUXBOZBE-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000104788090 186023710 /nfs/dbraw/zinc/02/37/10/186023710.db2.gz VAAHPSIUXBOZBE-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](C(N)=O)O1 ZINC000092008065 180306913 /nfs/dbraw/zinc/30/69/13/180306913.db2.gz TYBMHZPXYZUCMK-KCJUWKMLSA-N 1 2 265.338 0.694 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](C(N)=O)O1 ZINC000092008065 180306914 /nfs/dbraw/zinc/30/69/14/180306914.db2.gz TYBMHZPXYZUCMK-KCJUWKMLSA-N 1 2 265.338 0.694 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000161062995 350710888 /nfs/dbraw/zinc/71/08/88/350710888.db2.gz HMHZRZADQZKHDX-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000161062995 350710890 /nfs/dbraw/zinc/71/08/90/350710890.db2.gz HMHZRZADQZKHDX-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO N#Cc1ccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000603161290 362978435 /nfs/dbraw/zinc/97/84/35/362978435.db2.gz LZEGCVLLZRQRNR-AWEZNQCLSA-N 1 2 269.308 0.859 20 30 CCEDLO COC(C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)OC ZINC000161526032 350724062 /nfs/dbraw/zinc/72/40/62/350724062.db2.gz KJFVCBZIOXIUIW-LLVKDONJSA-N 1 2 291.355 0.478 20 30 CCEDLO COC(C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)OC ZINC000161526032 350724067 /nfs/dbraw/zinc/72/40/67/350724067.db2.gz KJFVCBZIOXIUIW-LLVKDONJSA-N 1 2 291.355 0.478 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172323908 350976761 /nfs/dbraw/zinc/97/67/61/350976761.db2.gz HFRKTERYBARNQR-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO N#Cc1ccc(F)c(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000603191019 362992014 /nfs/dbraw/zinc/99/20/14/362992014.db2.gz HKIQTICOEPOUAH-AWEZNQCLSA-N 1 2 287.298 0.998 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2occc2C(=O)OC)nn1 ZINC000603191633 362992257 /nfs/dbraw/zinc/99/22/57/362992257.db2.gz HMFXILODLVJAAX-UHFFFAOYSA-N 1 2 288.307 0.819 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172877102 351013793 /nfs/dbraw/zinc/01/37/93/351013793.db2.gz RFOVJYAFOLMHCG-KBPBESRZSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172877102 351013798 /nfs/dbraw/zinc/01/37/98/351013798.db2.gz RFOVJYAFOLMHCG-KBPBESRZSA-N 1 2 282.384 0.923 20 30 CCEDLO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH+]1CCOCC1 ZINC000181202464 351307201 /nfs/dbraw/zinc/30/72/01/351307201.db2.gz WBLMZPZHKPMEQD-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C#N)cs2)nn1 ZINC000603248521 363021427 /nfs/dbraw/zinc/02/14/27/363021427.db2.gz LNHIYSKOMWOPAD-UHFFFAOYSA-N 1 2 272.337 0.767 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2ccncc2C#N)nn1 ZINC000603254712 363026197 /nfs/dbraw/zinc/02/61/97/363026197.db2.gz PRFHCTUZSYPSAN-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2ccncc2C#N)nn1 ZINC000603254712 363026201 /nfs/dbraw/zinc/02/62/01/363026201.db2.gz PRFHCTUZSYPSAN-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO C=CCOCCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000618524386 366037545 /nfs/dbraw/zinc/03/75/45/366037545.db2.gz CYKPWLWPLMCPFK-CYBMUJFWSA-N 1 2 280.372 0.732 20 30 CCEDLO CCN1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000191837731 351775503 /nfs/dbraw/zinc/77/55/03/351775503.db2.gz VYPRVBMXXUCFPZ-UHFFFAOYSA-N 1 2 269.308 0.828 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000228260758 352071870 /nfs/dbraw/zinc/07/18/70/352071870.db2.gz ZTUUHXHIXHBMKU-CQSZACIVSA-N 1 2 286.335 0.707 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000228260758 352071873 /nfs/dbraw/zinc/07/18/73/352071873.db2.gz ZTUUHXHIXHBMKU-CQSZACIVSA-N 1 2 286.335 0.707 20 30 CCEDLO CCN([C@H](C)C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603387750 363104777 /nfs/dbraw/zinc/10/47/77/363104777.db2.gz GLZRVHCRSFCWNR-SNVBAGLBSA-N 1 2 256.331 0.447 20 30 CCEDLO N#Cc1nc(N2CC3(C2)CC(=O)NCC[NH2+]3)sc1Cl ZINC000603415135 363120287 /nfs/dbraw/zinc/12/02/87/363120287.db2.gz GMMCCNANUKFQON-UHFFFAOYSA-N 1 2 297.771 0.336 20 30 CCEDLO N#Cc1c(F)cccc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000603416426 363121138 /nfs/dbraw/zinc/12/11/38/363121138.db2.gz RPRCYIYGTRLILW-UHFFFAOYSA-N 1 2 274.299 0.366 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)nc1 ZINC000292054197 198147282 /nfs/dbraw/zinc/14/72/82/198147282.db2.gz BLGAFBGQMFXDSS-NEPJUHHUSA-N 1 2 273.292 0.722 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCOC3=O)C2)nc1 ZINC000292054197 198147283 /nfs/dbraw/zinc/14/72/83/198147283.db2.gz BLGAFBGQMFXDSS-NEPJUHHUSA-N 1 2 273.292 0.722 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC=C)CC1 ZINC000264874782 352604165 /nfs/dbraw/zinc/60/41/65/352604165.db2.gz HDYSZFFCYQRDML-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC=C)CC1 ZINC000264874782 352604168 /nfs/dbraw/zinc/60/41/68/352604168.db2.gz HDYSZFFCYQRDML-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO CN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000265631648 352651378 /nfs/dbraw/zinc/65/13/78/352651378.db2.gz FZPPWAFIZHIGMD-CYBMUJFWSA-N 1 2 286.335 0.659 20 30 CCEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000265631648 352651381 /nfs/dbraw/zinc/65/13/81/352651381.db2.gz FZPPWAFIZHIGMD-CYBMUJFWSA-N 1 2 286.335 0.659 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000265693508 352657457 /nfs/dbraw/zinc/65/74/57/352657457.db2.gz ZJNYIOZCKNKJKG-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268140918 352811446 /nfs/dbraw/zinc/81/14/46/352811446.db2.gz FGLRRHHFEUFXFN-GFCCVEGCSA-N 1 2 275.352 0.837 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268140918 352811449 /nfs/dbraw/zinc/81/14/49/352811449.db2.gz FGLRRHHFEUFXFN-GFCCVEGCSA-N 1 2 275.352 0.837 20 30 CCEDLO C#CCCCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000268363168 352827582 /nfs/dbraw/zinc/82/75/82/352827582.db2.gz UQGXFFYSBNJLCL-UHFFFAOYSA-N 1 2 294.399 0.381 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC ZINC000270687276 352968121 /nfs/dbraw/zinc/96/81/21/352968121.db2.gz DREYNHSSESTGCG-NSHDSACASA-N 1 2 253.346 0.253 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)NC ZINC000270687276 352968125 /nfs/dbraw/zinc/96/81/25/352968125.db2.gz DREYNHSSESTGCG-NSHDSACASA-N 1 2 253.346 0.253 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282246697 353406825 /nfs/dbraw/zinc/40/68/25/353406825.db2.gz JHSXDEQTYJQCLL-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282246697 353406826 /nfs/dbraw/zinc/40/68/26/353406826.db2.gz JHSXDEQTYJQCLL-AWEZNQCLSA-N 1 2 289.335 0.514 20 30 CCEDLO Cc1cc(C#N)nc(N(C)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000287840804 353670793 /nfs/dbraw/zinc/67/07/93/353670793.db2.gz RLWABMVTXRFLMO-LBPRGKRZSA-N 1 2 275.356 0.814 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296364824 353944264 /nfs/dbraw/zinc/94/42/64/353944264.db2.gz XAWUENUZTBKLIW-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296364824 353944267 /nfs/dbraw/zinc/94/42/67/353944267.db2.gz XAWUENUZTBKLIW-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000299230183 354000087 /nfs/dbraw/zinc/00/00/87/354000087.db2.gz JGHKVCPVFRKDTQ-AWEZNQCLSA-N 1 2 270.336 0.484 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSc2nncs2)CC1 ZINC000299299361 354006887 /nfs/dbraw/zinc/00/68/87/354006887.db2.gz FVXIIDRFHJOWJL-UHFFFAOYSA-N 1 2 296.421 0.798 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000299435788 354016713 /nfs/dbraw/zinc/01/67/13/354016713.db2.gz XYEKNHSLXFIWSF-ZDUSSCGKSA-N 1 2 270.336 0.484 20 30 CCEDLO Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)nc1C#N ZINC000302727804 354085972 /nfs/dbraw/zinc/08/59/72/354085972.db2.gz SXYXNHXGMBQDBA-GFCCVEGCSA-N 1 2 276.340 0.367 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000305991933 354170609 /nfs/dbraw/zinc/17/06/09/354170609.db2.gz JJLISNBJDLXZMS-GMTAPVOTSA-N 1 2 252.314 0.315 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000305991933 354170611 /nfs/dbraw/zinc/17/06/11/354170611.db2.gz JJLISNBJDLXZMS-GMTAPVOTSA-N 1 2 252.314 0.315 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000330480038 354374896 /nfs/dbraw/zinc/37/48/96/354374896.db2.gz ZYMYPCYLTAMASQ-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000330480038 354374899 /nfs/dbraw/zinc/37/48/99/354374899.db2.gz ZYMYPCYLTAMASQ-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333838430 354803604 /nfs/dbraw/zinc/80/36/04/354803604.db2.gz MWAZDODAWSLZAN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333838430 354803607 /nfs/dbraw/zinc/80/36/07/354803607.db2.gz MWAZDODAWSLZAN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C=CCCOCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000608150484 363411080 /nfs/dbraw/zinc/41/10/80/363411080.db2.gz JIPOAOZWOPCMGZ-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000336842810 355213797 /nfs/dbraw/zinc/21/37/97/355213797.db2.gz VMXIIJFLBASKMW-JTQLQIEISA-N 1 2 294.380 0.586 20 30 CCEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000336842810 355213802 /nfs/dbraw/zinc/21/38/02/355213802.db2.gz VMXIIJFLBASKMW-JTQLQIEISA-N 1 2 294.380 0.586 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@@](=O)C[C@H](C)C2)C1=O ZINC000337256580 355291424 /nfs/dbraw/zinc/29/14/24/355291424.db2.gz UDAAVIRRMSNBRF-FTLABTOESA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@@](=O)C[C@H](C)C2)C1=O ZINC000337256580 355291427 /nfs/dbraw/zinc/29/14/27/355291427.db2.gz UDAAVIRRMSNBRF-FTLABTOESA-N 1 2 270.398 0.474 20 30 CCEDLO CC1(C[N@H+](CCC#N)CCN2CCOCC2)COC1 ZINC000344138780 355786185 /nfs/dbraw/zinc/78/61/85/355786185.db2.gz QPFACKRKZRJGIR-UHFFFAOYSA-N 1 2 267.373 0.571 20 30 CCEDLO CC1(C[N@@H+](CCC#N)CCN2CCOCC2)COC1 ZINC000344138780 355786189 /nfs/dbraw/zinc/78/61/89/355786189.db2.gz QPFACKRKZRJGIR-UHFFFAOYSA-N 1 2 267.373 0.571 20 30 CCEDLO CC1(CN(CCC#N)CC[NH+]2CCOCC2)COC1 ZINC000344138780 355786193 /nfs/dbraw/zinc/78/61/93/355786193.db2.gz QPFACKRKZRJGIR-UHFFFAOYSA-N 1 2 267.373 0.571 20 30 CCEDLO N#Cc1csc(C[NH2+]CC(=O)NCC(F)F)n1 ZINC000352945720 356116939 /nfs/dbraw/zinc/11/69/39/356116939.db2.gz PHEKLLSJZNIKQC-UHFFFAOYSA-N 1 2 260.269 0.486 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000609485970 363498687 /nfs/dbraw/zinc/49/86/87/363498687.db2.gz AWLSVKZAJJUIHN-OCCSQVGLSA-N 1 2 278.400 0.819 20 30 CCEDLO C=C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)C(=O)OC ZINC000619703151 366327364 /nfs/dbraw/zinc/32/73/64/366327364.db2.gz GNKICJHOEVEZPQ-GMXVVIOVSA-N 1 2 255.314 0.642 20 30 CCEDLO C=C[C@H]([NH2+]CCCOC[C@H]1CCOC1)C(=O)OC ZINC000619703236 366328078 /nfs/dbraw/zinc/32/80/78/366328078.db2.gz YGDKMAHJRWGZCG-NEPJUHHUSA-N 1 2 257.330 0.747 20 30 CCEDLO N#Cc1csc(CN(CCO)CC[NH+]2CCOCC2)n1 ZINC000356057821 356694339 /nfs/dbraw/zinc/69/43/39/356694339.db2.gz FPCALSXVZIGPJY-UHFFFAOYSA-N 1 2 296.396 0.141 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000619716224 366334741 /nfs/dbraw/zinc/33/47/41/366334741.db2.gz BFTDOQVSZKYECX-GFCCVEGCSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000619718005 366335972 /nfs/dbraw/zinc/33/59/72/366335972.db2.gz LOGJEIPXVDFGMA-GHMZBOCLSA-N 1 2 267.325 0.989 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000361399414 357047600 /nfs/dbraw/zinc/04/76/00/357047600.db2.gz FHHMOOURRVQGFP-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000361399414 357047603 /nfs/dbraw/zinc/04/76/03/357047603.db2.gz FHHMOOURRVQGFP-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CC[NH+](C3CC3)CC2)[nH]1 ZINC000610561776 363576196 /nfs/dbraw/zinc/57/61/96/363576196.db2.gz CXBAKYXYPNTHKV-UHFFFAOYSA-N 1 2 274.328 0.026 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374010940 357393765 /nfs/dbraw/zinc/39/37/65/357393765.db2.gz ATXFQOMRHLQGMN-KCQAQPDRSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374010940 357393770 /nfs/dbraw/zinc/39/37/70/357393770.db2.gz ATXFQOMRHLQGMN-KCQAQPDRSA-N 1 2 282.384 0.947 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377138216 357542460 /nfs/dbraw/zinc/54/24/60/357542460.db2.gz CJARNSIXWRKSLB-JTQLQIEISA-N 1 2 296.334 0.978 20 30 CCEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000408137771 357935385 /nfs/dbraw/zinc/93/53/85/357935385.db2.gz KHYYITYJEXOPTJ-UHFFFAOYSA-N 1 2 292.364 0.768 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000491620928 358295372 /nfs/dbraw/zinc/29/53/72/358295372.db2.gz GJOHIFUOLRVGHG-MJBXVCDLSA-N 1 2 279.384 0.807 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000491620928 358295375 /nfs/dbraw/zinc/29/53/75/358295375.db2.gz GJOHIFUOLRVGHG-MJBXVCDLSA-N 1 2 279.384 0.807 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491812943 358297727 /nfs/dbraw/zinc/29/77/27/358297727.db2.gz JNWGNDTVQGIISS-GFCCVEGCSA-N 1 2 282.303 0.742 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000570600162 358873815 /nfs/dbraw/zinc/87/38/15/358873815.db2.gz NRXNIGDEEBRXCU-OCCSQVGLSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000570600162 358873817 /nfs/dbraw/zinc/87/38/17/358873817.db2.gz NRXNIGDEEBRXCU-OCCSQVGLSA-N 1 2 289.335 0.172 20 30 CCEDLO Cc1cc(N2CCC(NC(N)=O)CC2)c(C#N)c[nH+]1 ZINC000573678345 358989048 /nfs/dbraw/zinc/98/90/48/358989048.db2.gz OHILOQQKIJXQOH-UHFFFAOYSA-N 1 2 259.313 0.899 20 30 CCEDLO CC(C)N1CCC[C@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000580024483 359075896 /nfs/dbraw/zinc/07/58/96/359075896.db2.gz KZPQGTHPRXCDOC-ZDUSSCGKSA-N 1 2 292.383 0.444 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000588002847 359305122 /nfs/dbraw/zinc/30/51/22/359305122.db2.gz VLOMNCYGJDYPRD-ZYHUDNBSSA-N 1 2 261.329 0.788 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000588002847 359305126 /nfs/dbraw/zinc/30/51/26/359305126.db2.gz VLOMNCYGJDYPRD-ZYHUDNBSSA-N 1 2 261.329 0.788 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)C(=O)OC ZINC000588978478 359355053 /nfs/dbraw/zinc/35/50/53/359355053.db2.gz VLOOABJNEYPQGI-RFQIPJPRSA-N 1 2 280.368 0.951 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000590192003 359429295 /nfs/dbraw/zinc/42/92/95/359429295.db2.gz SXIMSZPFLFZPII-NEPJUHHUSA-N 1 2 280.328 0.135 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000590192003 359429298 /nfs/dbraw/zinc/42/92/98/359429298.db2.gz SXIMSZPFLFZPII-NEPJUHHUSA-N 1 2 280.328 0.135 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)N1CCn2c[nH+]cc2C1 ZINC000590599785 359496200 /nfs/dbraw/zinc/49/62/00/359496200.db2.gz PFKFCQGHIYSPCF-NSHDSACASA-N 1 2 261.329 0.459 20 30 CCEDLO N#Cc1nc(N2CC[NH+](CCO)CC2)sc1Cl ZINC000590569039 359487325 /nfs/dbraw/zinc/48/73/25/359487325.db2.gz BQUCPXLMGQOXMI-UHFFFAOYSA-N 1 2 272.761 0.782 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590962211 359542093 /nfs/dbraw/zinc/54/20/93/359542093.db2.gz CJRLIPBEMNXOEB-UHFFFAOYSA-N 1 2 290.323 0.762 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@H](C)CCC#N)CC2)n[nH]1 ZINC000591020966 359546688 /nfs/dbraw/zinc/54/66/88/359546688.db2.gz LCLMJAVPSQZGKK-LLVKDONJSA-N 1 2 262.361 0.923 20 30 CCEDLO CNC(=O)[C@]1(COC)CCC[N@@H+]1CC1(C#N)CC1 ZINC000591647751 359627406 /nfs/dbraw/zinc/62/74/06/359627406.db2.gz VJGXJARHIFEFEN-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO CNC(=O)[C@]1(COC)CCC[N@H+]1CC1(C#N)CC1 ZINC000591647751 359627412 /nfs/dbraw/zinc/62/74/12/359627412.db2.gz VJGXJARHIFEFEN-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO N#C[C@H]1CC[C@@H](Nc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000591826501 359663175 /nfs/dbraw/zinc/66/31/75/359663175.db2.gz JFMYRTMJFMTELD-NWDGAFQWSA-N 1 2 297.362 0.982 20 30 CCEDLO Cc1nc(N2CCN(c3cncc(C#N)n3)CC2)cc[nH+]1 ZINC000591930536 359705438 /nfs/dbraw/zinc/70/54/38/359705438.db2.gz BIJHYBWMMXWJNO-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC(C)(C(N)=O)C1 ZINC000592136190 359763272 /nfs/dbraw/zinc/76/32/72/359763272.db2.gz ZJMHKNFVBDGVAU-SNVBAGLBSA-N 1 2 286.335 0.692 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000592147375 359765358 /nfs/dbraw/zinc/76/53/58/359765358.db2.gz KQPRQTDAOSIFRL-ZDUSSCGKSA-N 1 2 251.330 0.396 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000592147375 359765360 /nfs/dbraw/zinc/76/53/60/359765360.db2.gz KQPRQTDAOSIFRL-ZDUSSCGKSA-N 1 2 251.330 0.396 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147202 359766115 /nfs/dbraw/zinc/76/61/15/359766115.db2.gz JINANVUQYZCLLP-UONOGXRCSA-N 1 2 278.356 0.391 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147202 359766119 /nfs/dbraw/zinc/76/61/19/359766119.db2.gz JINANVUQYZCLLP-UONOGXRCSA-N 1 2 278.356 0.391 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149256 359769145 /nfs/dbraw/zinc/76/91/45/359769145.db2.gz LURJNMQXFURNQM-GXTWGEPZSA-N 1 2 277.299 0.703 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149256 359769147 /nfs/dbraw/zinc/76/91/47/359769147.db2.gz LURJNMQXFURNQM-GXTWGEPZSA-N 1 2 277.299 0.703 20 30 CCEDLO N#CCCN1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000611176275 363672322 /nfs/dbraw/zinc/67/23/22/363672322.db2.gz YECIGTMKTPCXQA-AWEZNQCLSA-N 1 2 272.352 0.744 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592512621 359868423 /nfs/dbraw/zinc/86/84/23/359868423.db2.gz NWDBFUPFTGPMHI-JTQLQIEISA-N 1 2 284.323 0.311 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592512621 359868425 /nfs/dbraw/zinc/86/84/25/359868425.db2.gz NWDBFUPFTGPMHI-JTQLQIEISA-N 1 2 284.323 0.311 20 30 CCEDLO CN(C)C(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611253054 363698107 /nfs/dbraw/zinc/69/81/07/363698107.db2.gz CCEZCPIZOLXXNR-UHFFFAOYSA-N 1 2 292.408 0.826 20 30 CCEDLO COCc1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154882 360048372 /nfs/dbraw/zinc/04/83/72/360048372.db2.gz OUTDUIMAZMJEDO-CQSZACIVSA-N 1 2 276.340 0.802 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153239 360048583 /nfs/dbraw/zinc/04/85/83/360048583.db2.gz GNWYYBZXKWJQNF-CQSZACIVSA-N 1 2 271.324 0.835 20 30 CCEDLO C[C@@H](OCC1CC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155325 360048722 /nfs/dbraw/zinc/04/87/22/360048722.db2.gz NBHMJCRJBIVSFY-MFKMUULPSA-N 1 2 253.346 0.762 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000593155731 360048864 /nfs/dbraw/zinc/04/88/64/360048864.db2.gz XPPAAKCBVYNEEQ-IAQYHMDHSA-N 1 2 294.399 0.593 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000593388233 360074700 /nfs/dbraw/zinc/07/47/00/360074700.db2.gz FORPNYAJKABSHH-ZDUSSCGKSA-N 1 2 298.387 0.136 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000593444308 360090266 /nfs/dbraw/zinc/09/02/66/360090266.db2.gz VCFYDEMZTQWLBZ-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000593444308 360090270 /nfs/dbraw/zinc/09/02/70/360090270.db2.gz VCFYDEMZTQWLBZ-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1(C#N)CCCC1 ZINC000593782435 360150578 /nfs/dbraw/zinc/15/05/78/360150578.db2.gz MOSFLSIFTGARML-UHFFFAOYSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1(C#N)CCCC1 ZINC000593782435 360150580 /nfs/dbraw/zinc/15/05/80/360150580.db2.gz MOSFLSIFTGARML-UHFFFAOYSA-N 1 2 294.399 0.643 20 30 CCEDLO N#Cc1ccccc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000594653103 360351834 /nfs/dbraw/zinc/35/18/34/360351834.db2.gz YIKVRLDXLFZQSD-GFCCVEGCSA-N 1 2 255.281 0.800 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000611432134 363718292 /nfs/dbraw/zinc/71/82/92/363718292.db2.gz OANODITYZZNKJL-AWEZNQCLSA-N 1 2 278.400 0.775 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501748 363727354 /nfs/dbraw/zinc/72/73/54/363727354.db2.gz HWNVWUIHZPIQGP-ZJUUUORDSA-N 1 2 257.309 0.678 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501748 363727360 /nfs/dbraw/zinc/72/73/60/363727360.db2.gz HWNVWUIHZPIQGP-ZJUUUORDSA-N 1 2 257.309 0.678 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661133 360357459 /nfs/dbraw/zinc/35/74/59/360357459.db2.gz VUTNCOYMNYSHAN-NEPJUHHUSA-N 1 2 299.334 0.734 20 30 CCEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661133 360357465 /nfs/dbraw/zinc/35/74/65/360357465.db2.gz VUTNCOYMNYSHAN-NEPJUHHUSA-N 1 2 299.334 0.734 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000594967338 360428088 /nfs/dbraw/zinc/42/80/88/360428088.db2.gz WOJAEMFUHCHSQV-STQMWFEESA-N 1 2 298.339 0.599 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595309297 360491318 /nfs/dbraw/zinc/49/13/18/360491318.db2.gz QJCDQEGYAWHRQY-CQSZACIVSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595309297 360491323 /nfs/dbraw/zinc/49/13/23/360491323.db2.gz QJCDQEGYAWHRQY-CQSZACIVSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@](C)(CO)[NH2+]CCCOc1cccc(C#N)c1 ZINC000595527910 360565147 /nfs/dbraw/zinc/56/51/47/360565147.db2.gz JVKLFDSSKIZQSK-HNNXBMFYSA-N 1 2 292.335 0.841 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3cn(C)c[nH+]3)CC2)c1C#N ZINC000595457629 360539342 /nfs/dbraw/zinc/53/93/42/360539342.db2.gz MLOGSTPFMCEEJD-UHFFFAOYSA-N 1 2 299.382 0.656 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494657 360550175 /nfs/dbraw/zinc/55/01/75/360550175.db2.gz LHHCIBKZDQULEL-SNVBAGLBSA-N 1 2 277.328 0.099 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595591406 360591259 /nfs/dbraw/zinc/59/12/59/360591259.db2.gz GUPGUJBPCPDUFG-SNVBAGLBSA-N 1 2 261.329 0.792 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618369 360598594 /nfs/dbraw/zinc/59/85/94/360598594.db2.gz OGVPZRWZTBGQTB-CQSZACIVSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618369 360598600 /nfs/dbraw/zinc/59/86/00/360598600.db2.gz OGVPZRWZTBGQTB-CQSZACIVSA-N 1 2 281.356 0.499 20 30 CCEDLO CC[C@H]([NH2+]CC(=O)NCC#N)c1nnc2n1CCCCC2 ZINC000595799091 360657654 /nfs/dbraw/zinc/65/76/54/360657654.db2.gz CQNUHQUELSDMOC-NSHDSACASA-N 1 2 290.371 0.685 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834646 360672667 /nfs/dbraw/zinc/67/26/67/360672667.db2.gz KQLIUZJVNITLAZ-AWEZNQCLSA-N 1 2 281.356 0.681 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834646 360672669 /nfs/dbraw/zinc/67/26/69/360672669.db2.gz KQLIUZJVNITLAZ-AWEZNQCLSA-N 1 2 281.356 0.681 20 30 CCEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178602605 189130320 /nfs/dbraw/zinc/13/03/20/189130320.db2.gz ZHEVTCLWZUJYKN-CQSZACIVSA-N 1 2 263.385 0.871 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cnn3C)CC2)cn1 ZINC000596115519 360800717 /nfs/dbraw/zinc/80/07/17/360800717.db2.gz PLWKRBCBWMFUAL-UHFFFAOYSA-N 1 2 285.355 0.347 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cnn1C ZINC000596124193 360803960 /nfs/dbraw/zinc/80/39/60/360803960.db2.gz SAUQLAHKCHLWRK-LLVKDONJSA-N 1 2 262.361 0.340 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596549743 360918782 /nfs/dbraw/zinc/91/87/82/360918782.db2.gz KEZSZAOYAXPSGT-QWRGUYRKSA-N 1 2 293.371 0.939 20 30 CCEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596550594 360918907 /nfs/dbraw/zinc/91/89/07/360918907.db2.gz VHWCIIZOHXLPRZ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596553469 360919749 /nfs/dbraw/zinc/91/97/49/360919749.db2.gz YNBDZBWWCZQMHM-UTUOFQBUSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596553469 360919753 /nfs/dbraw/zinc/91/97/53/360919753.db2.gz YNBDZBWWCZQMHM-UTUOFQBUSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000597052463 361000849 /nfs/dbraw/zinc/00/08/49/361000849.db2.gz KNXIDDSXSRHQBK-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000597052463 361000851 /nfs/dbraw/zinc/00/08/51/361000851.db2.gz KNXIDDSXSRHQBK-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000597306337 361057082 /nfs/dbraw/zinc/05/70/82/361057082.db2.gz HXCDMQBSEIUGHE-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709616 361204756 /nfs/dbraw/zinc/20/47/56/361204756.db2.gz JXDQTKHNLDQRFZ-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597754956 361235689 /nfs/dbraw/zinc/23/56/89/361235689.db2.gz KJQOOKUCXPRHKT-NSHDSACASA-N 1 2 262.313 0.444 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000598150412 361344172 /nfs/dbraw/zinc/34/41/72/361344172.db2.gz CHRDIPVSEYDHMH-CYBMUJFWSA-N 1 2 288.351 0.742 20 30 CCEDLO Cc1nnc([C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591992 361451513 /nfs/dbraw/zinc/45/15/13/361451513.db2.gz DICMPCVVOSKNHL-VXGBXAGGSA-N 1 2 293.371 0.787 20 30 CCEDLO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591992 361451517 /nfs/dbraw/zinc/45/15/17/361451517.db2.gz DICMPCVVOSKNHL-VXGBXAGGSA-N 1 2 293.371 0.787 20 30 CCEDLO Cn1ncc(Cl)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836243 361522917 /nfs/dbraw/zinc/52/29/17/361522917.db2.gz DCPIGSXHMZSIDA-NSHDSACASA-N 1 2 269.736 0.647 20 30 CCEDLO COCCCOCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836588 361523424 /nfs/dbraw/zinc/52/34/24/361523424.db2.gz NPFFQCKFJMSTNM-ZDUSSCGKSA-N 1 2 271.361 0.390 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598946730 361538080 /nfs/dbraw/zinc/53/80/80/361538080.db2.gz INOICPLYVQHWOH-JTQLQIEISA-N 1 2 288.355 0.008 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cnc(N)nc2C1 ZINC000598946730 361538086 /nfs/dbraw/zinc/53/80/86/361538086.db2.gz INOICPLYVQHWOH-JTQLQIEISA-N 1 2 288.355 0.008 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c[nH]1 ZINC000598947721 361538220 /nfs/dbraw/zinc/53/82/20/361538220.db2.gz NBTDSZVPFQELLD-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599298490 361641103 /nfs/dbraw/zinc/64/11/03/361641103.db2.gz YGXLKNJBSVJMFL-STQMWFEESA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599298490 361641106 /nfs/dbraw/zinc/64/11/06/361641106.db2.gz YGXLKNJBSVJMFL-STQMWFEESA-N 1 2 295.383 0.268 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599372551 361672571 /nfs/dbraw/zinc/67/25/71/361672571.db2.gz WMZANBVUQGFJGR-ZDUSSCGKSA-N 1 2 295.383 0.222 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599372551 361672573 /nfs/dbraw/zinc/67/25/73/361672573.db2.gz WMZANBVUQGFJGR-ZDUSSCGKSA-N 1 2 295.383 0.222 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000613272021 364192949 /nfs/dbraw/zinc/19/29/49/364192949.db2.gz VQWOANWQUDWMMX-LBPRGKRZSA-N 1 2 299.396 0.026 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nccnc2C)CC1 ZINC000621710467 366847547 /nfs/dbraw/zinc/84/75/47/366847547.db2.gz BXFBVVYGONDIFE-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2nccnc2C)CC1 ZINC000621710467 366847554 /nfs/dbraw/zinc/84/75/54/366847554.db2.gz BXFBVVYGONDIFE-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000615520991 364991821 /nfs/dbraw/zinc/99/18/21/364991821.db2.gz FZOOSHAUNQRJLT-NSHDSACASA-N 1 2 251.265 0.530 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615532405 364994699 /nfs/dbraw/zinc/99/46/99/364994699.db2.gz AFSUNJYUJRJPNN-KFWWJZLASA-N 1 2 294.395 0.901 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCSC1 ZINC000615742241 365072674 /nfs/dbraw/zinc/07/26/74/365072674.db2.gz QRBPBBQRSBAYHI-GWCFXTLKSA-N 1 2 276.365 0.961 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000615635310 365029414 /nfs/dbraw/zinc/02/94/14/365029414.db2.gz PMJURKMPJTZPPR-AVGNSLFASA-N 1 2 251.326 0.910 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000615635310 365029420 /nfs/dbraw/zinc/02/94/20/365029420.db2.gz PMJURKMPJTZPPR-AVGNSLFASA-N 1 2 251.326 0.910 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616863919 365462726 /nfs/dbraw/zinc/46/27/26/365462726.db2.gz YTIYIKWANMOLTJ-IUODEOHRSA-N 1 2 295.383 0.923 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000275885778 193155791 /nfs/dbraw/zinc/15/57/91/193155791.db2.gz REYQDENYBXJAQY-SDDRHHMPSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000275885778 193155793 /nfs/dbraw/zinc/15/57/93/193155793.db2.gz REYQDENYBXJAQY-SDDRHHMPSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920679 369465017 /nfs/dbraw/zinc/46/50/17/369465017.db2.gz NUUQLOQDDPDWKU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920679 369465020 /nfs/dbraw/zinc/46/50/20/369465020.db2.gz NUUQLOQDDPDWKU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCCC2)nn1 ZINC000656442741 412797030 /nfs/dbraw/zinc/79/70/30/412797030.db2.gz VZALNWSGYRDGDJ-UHFFFAOYSA-N 1 2 275.356 0.404 20 30 CCEDLO N#Cc1cccc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000568820699 291624680 /nfs/dbraw/zinc/62/46/80/291624680.db2.gz XDADTKCOXGIWEX-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCCC)nn1 ZINC000640792269 376544130 /nfs/dbraw/zinc/54/41/30/376544130.db2.gz NOKJDXYAIUVVIZ-UHFFFAOYSA-N 1 2 263.345 0.307 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(CC)o2)nn1 ZINC000641034598 376692752 /nfs/dbraw/zinc/69/27/52/376692752.db2.gz VXZBVKODARGTKD-SNVBAGLBSA-N 1 2 274.328 0.946 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C)n2CCC)nn1 ZINC000641154559 376817128 /nfs/dbraw/zinc/81/71/28/376817128.db2.gz JFZORIQDRRVEHZ-UHFFFAOYSA-N 1 2 287.371 0.749 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000515479562 249136031 /nfs/dbraw/zinc/13/60/31/249136031.db2.gz VLWYMSXJUUCUAG-XCBNKYQSSA-N 1 2 250.327 0.629 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC(C)(C(N)=O)C1 ZINC000517027061 249198389 /nfs/dbraw/zinc/19/83/89/249198389.db2.gz DLIPZIBAXZVFOY-JTQLQIEISA-N 1 2 286.335 0.692 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)nn1 ZINC000657384122 412978693 /nfs/dbraw/zinc/97/86/93/412978693.db2.gz XPAHVUMCUNUSKK-YRGRVCCFSA-N 1 2 289.383 0.953 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nn1 ZINC000657384119 412979142 /nfs/dbraw/zinc/97/91/42/412979142.db2.gz XPAHVUMCUNUSKK-SCRDCRAPSA-N 1 2 289.383 0.953 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283262767 388763313 /nfs/dbraw/zinc/76/33/13/388763313.db2.gz FHWJKSVEYLUHBL-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C#N)CC ZINC000184351049 388772477 /nfs/dbraw/zinc/77/24/77/388772477.db2.gz MKZSGIMOAFUROJ-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C#N)CC ZINC000184351049 388772481 /nfs/dbraw/zinc/77/24/81/388772481.db2.gz MKZSGIMOAFUROJ-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO C#CCC(CC#C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000289486785 388870716 /nfs/dbraw/zinc/87/07/16/388870716.db2.gz YEQVBWXLKFHCNP-GDBMZVCRSA-N 1 2 288.391 0.971 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000291161185 388918137 /nfs/dbraw/zinc/91/81/37/388918137.db2.gz PZVXYZBJBGUBDK-JTQLQIEISA-N 1 2 250.302 0.272 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000291161185 388918138 /nfs/dbraw/zinc/91/81/38/388918138.db2.gz PZVXYZBJBGUBDK-JTQLQIEISA-N 1 2 250.302 0.272 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188308940 388923340 /nfs/dbraw/zinc/92/33/40/388923340.db2.gz CZCQLQISXMYPIP-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906438 388934490 /nfs/dbraw/zinc/93/44/90/388934490.db2.gz YLWCJPMWKBBTMJ-ZDUSSCGKSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CC[N@@H+](CCCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000066539255 388945239 /nfs/dbraw/zinc/94/52/39/388945239.db2.gz SCYCCNGMPSYUMJ-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@H+](CCCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000066539255 388945240 /nfs/dbraw/zinc/94/52/40/388945240.db2.gz SCYCCNGMPSYUMJ-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000293006591 388976349 /nfs/dbraw/zinc/97/63/49/388976349.db2.gz DHEUHKKNXGSLOY-UHFFFAOYSA-N 1 2 292.339 0.490 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000293006591 388976350 /nfs/dbraw/zinc/97/63/50/388976350.db2.gz DHEUHKKNXGSLOY-UHFFFAOYSA-N 1 2 292.339 0.490 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000076185997 388986425 /nfs/dbraw/zinc/98/64/25/388986425.db2.gz KQRSHEZBHUJIBB-LSDHHAIUSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190681801 388997690 /nfs/dbraw/zinc/99/76/90/388997690.db2.gz VULZOTLWQCZPNK-LLVKDONJSA-N 1 2 289.383 0.684 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190681801 388997693 /nfs/dbraw/zinc/99/76/93/388997693.db2.gz VULZOTLWQCZPNK-LLVKDONJSA-N 1 2 289.383 0.684 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190681801 388997699 /nfs/dbraw/zinc/99/76/99/388997699.db2.gz VULZOTLWQCZPNK-LLVKDONJSA-N 1 2 289.383 0.684 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000192222312 389027724 /nfs/dbraw/zinc/02/77/24/389027724.db2.gz AHMIIQLUQVWASD-UHFFFAOYSA-N 1 2 281.356 0.289 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000192222312 389027728 /nfs/dbraw/zinc/02/77/28/389027728.db2.gz AHMIIQLUQVWASD-UHFFFAOYSA-N 1 2 281.356 0.289 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000192222557 389028005 /nfs/dbraw/zinc/02/80/05/389028005.db2.gz DLVOPRBYEKCLMV-ZDUSSCGKSA-N 1 2 267.350 0.689 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000192222557 389028009 /nfs/dbraw/zinc/02/80/09/389028009.db2.gz DLVOPRBYEKCLMV-ZDUSSCGKSA-N 1 2 267.350 0.689 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091752987 389024196 /nfs/dbraw/zinc/02/41/96/389024196.db2.gz CMHIMGZKMBFCDL-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091752987 389024201 /nfs/dbraw/zinc/02/42/01/389024201.db2.gz CMHIMGZKMBFCDL-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000336881123 389027285 /nfs/dbraw/zinc/02/72/85/389027285.db2.gz ARTFMLUWUZFUFW-GFCCVEGCSA-N 1 2 299.400 0.589 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192666819 389048538 /nfs/dbraw/zinc/04/85/38/389048538.db2.gz HOXBJHBDHMKAJZ-SNVBAGLBSA-N 1 2 288.145 0.569 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192666819 389048540 /nfs/dbraw/zinc/04/85/40/389048540.db2.gz HOXBJHBDHMKAJZ-SNVBAGLBSA-N 1 2 288.145 0.569 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000337203306 389054576 /nfs/dbraw/zinc/05/45/76/389054576.db2.gz HPESFBMWLMPOPX-QWHCGFSZSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](C3CC3)C2)C1=O ZINC000337203306 389054579 /nfs/dbraw/zinc/05/45/79/389054579.db2.gz HPESFBMWLMPOPX-QWHCGFSZSA-N 1 2 250.342 0.884 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000337980978 389071658 /nfs/dbraw/zinc/07/16/58/389071658.db2.gz TVWAYTSPPVWNEE-LBPRGKRZSA-N 1 2 261.325 0.979 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000355447495 389079391 /nfs/dbraw/zinc/07/93/91/389079391.db2.gz AOUVJJMDEMXXDB-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000305078288 389083652 /nfs/dbraw/zinc/08/36/52/389083652.db2.gz WGPCJVMQJDWYCH-REWJHTLYSA-N 1 2 269.389 0.690 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000305078288 389083655 /nfs/dbraw/zinc/08/36/55/389083655.db2.gz WGPCJVMQJDWYCH-REWJHTLYSA-N 1 2 269.389 0.690 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1F ZINC000223556931 389144427 /nfs/dbraw/zinc/14/44/27/389144427.db2.gz KTQSFKZNZMLABJ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1F ZINC000223556931 389144428 /nfs/dbraw/zinc/14/44/28/389144428.db2.gz KTQSFKZNZMLABJ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328929932 389145700 /nfs/dbraw/zinc/14/57/00/389145700.db2.gz HFMMDOUQPYHOMU-LBPRGKRZSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328929932 389145702 /nfs/dbraw/zinc/14/57/02/389145702.db2.gz HFMMDOUQPYHOMU-LBPRGKRZSA-N 1 2 285.388 0.384 20 30 CCEDLO C=CC[N@@H+](CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000121162686 389146600 /nfs/dbraw/zinc/14/66/00/389146600.db2.gz PNKCCGPJWOXDRM-GFCCVEGCSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@H+](CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000121162686 389146602 /nfs/dbraw/zinc/14/66/02/389146602.db2.gz PNKCCGPJWOXDRM-GFCCVEGCSA-N 1 2 274.386 0.188 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cc(F)ccc1F ZINC000121407589 389147843 /nfs/dbraw/zinc/14/78/43/389147843.db2.gz AVEFOKZDYAFGEC-ZETCQYMHSA-N 1 2 287.266 0.963 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338352239 389109178 /nfs/dbraw/zinc/10/91/78/389109178.db2.gz HDKVFNFRABYXDU-UWVGGRQHSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338352239 389109179 /nfs/dbraw/zinc/10/91/79/389109179.db2.gz HDKVFNFRABYXDU-UWVGGRQHSA-N 1 2 266.345 0.845 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc[nH+]1 ZINC000328986023 389148474 /nfs/dbraw/zinc/14/84/74/389148474.db2.gz GVZDHYLBOJTUPN-NSHDSACASA-N 1 2 283.353 0.715 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000328286242 389128156 /nfs/dbraw/zinc/12/81/56/389128156.db2.gz QLNTVZRLRGTJFN-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000328286242 389128158 /nfs/dbraw/zinc/12/81/58/389128158.db2.gz QLNTVZRLRGTJFN-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858528 389131776 /nfs/dbraw/zinc/13/17/76/389131776.db2.gz YRGVGOYTINWFPR-JSGCOSHPSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858528 389131778 /nfs/dbraw/zinc/13/17/78/389131778.db2.gz YRGVGOYTINWFPR-JSGCOSHPSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC[NH+]1CCOCC1)OCC ZINC000339433477 389133367 /nfs/dbraw/zinc/13/33/67/389133367.db2.gz KJCJOBFHJUITKX-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000339419578 389133751 /nfs/dbraw/zinc/13/37/51/389133751.db2.gz KXCOMIFAVDNBBO-GFCCVEGCSA-N 1 2 261.329 0.711 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000339419578 389133755 /nfs/dbraw/zinc/13/37/55/389133755.db2.gz KXCOMIFAVDNBBO-GFCCVEGCSA-N 1 2 261.329 0.711 20 30 CCEDLO CN(CC1(O)CCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000328732464 389133958 /nfs/dbraw/zinc/13/39/58/389133958.db2.gz XLHCCXKWTSWBEW-LBPRGKRZSA-N 1 2 285.388 0.468 20 30 CCEDLO CN(CC1(O)CCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000328732464 389133959 /nfs/dbraw/zinc/13/39/59/389133959.db2.gz XLHCCXKWTSWBEW-LBPRGKRZSA-N 1 2 285.388 0.468 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328745744 389135556 /nfs/dbraw/zinc/13/55/56/389135556.db2.gz AHBSZVTXDINCJY-MNOVXSKESA-N 1 2 293.371 0.587 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000328854654 389141690 /nfs/dbraw/zinc/14/16/90/389141690.db2.gz JOOOXHLYYBOEDC-WDEREUQCSA-N 1 2 291.355 0.354 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC000341522728 389188562 /nfs/dbraw/zinc/18/85/62/389188562.db2.gz LWOFFISVEKICID-NSHDSACASA-N 1 2 299.396 0.339 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC000341522728 389188566 /nfs/dbraw/zinc/18/85/66/389188566.db2.gz LWOFFISVEKICID-NSHDSACASA-N 1 2 299.396 0.339 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000129919909 389195487 /nfs/dbraw/zinc/19/54/87/389195487.db2.gz WEWKAEIZHKNKNV-GFCCVEGCSA-N 1 2 295.387 0.081 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000129919909 389195490 /nfs/dbraw/zinc/19/54/90/389195490.db2.gz WEWKAEIZHKNKNV-GFCCVEGCSA-N 1 2 295.387 0.081 20 30 CCEDLO C=CCN(CCOC)C(=O)NCc1c[nH+]cn1C ZINC000360296850 389195491 /nfs/dbraw/zinc/19/54/91/389195491.db2.gz RDHORSHUNJQHOD-UHFFFAOYSA-N 1 2 252.318 0.764 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342222294 389201041 /nfs/dbraw/zinc/20/10/41/389201041.db2.gz QPHSCADQWFXWCM-PWSUYJOCSA-N 1 2 276.365 0.913 20 30 CCEDLO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329335103 389157388 /nfs/dbraw/zinc/15/73/88/389157388.db2.gz LBOBRRSPKORLBM-WDEREUQCSA-N 1 2 297.355 0.891 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2cccnc2)C1 ZINC000329366720 389159684 /nfs/dbraw/zinc/15/96/84/389159684.db2.gz KOGQFNQHMPVPBX-CYBMUJFWSA-N 1 2 277.372 0.331 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2cccnc2)C1 ZINC000329366720 389159686 /nfs/dbraw/zinc/15/96/86/389159686.db2.gz KOGQFNQHMPVPBX-CYBMUJFWSA-N 1 2 277.372 0.331 20 30 CCEDLO Cc1noc(C)c1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329384234 389160575 /nfs/dbraw/zinc/16/05/75/389160575.db2.gz RMGITEYZKLISLL-LBPRGKRZSA-N 1 2 295.387 0.541 20 30 CCEDLO Cc1noc(C)c1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329384234 389160578 /nfs/dbraw/zinc/16/05/78/389160578.db2.gz RMGITEYZKLISLL-LBPRGKRZSA-N 1 2 295.387 0.541 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cnc21 ZINC000329411481 389162997 /nfs/dbraw/zinc/16/29/97/389162997.db2.gz DVWKWPNVTCOKHX-VIFPVBQESA-N 1 2 297.322 0.949 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cnc21 ZINC000329411481 389162998 /nfs/dbraw/zinc/16/29/98/389162998.db2.gz DVWKWPNVTCOKHX-VIFPVBQESA-N 1 2 297.322 0.949 20 30 CCEDLO C=CCCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000125090366 389164369 /nfs/dbraw/zinc/16/43/69/389164369.db2.gz JUKXZSWJFMSGCU-UHFFFAOYSA-N 1 2 255.362 0.926 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000329457975 389164992 /nfs/dbraw/zinc/16/49/92/389164992.db2.gz QWQPWELJYODBSJ-VXGBXAGGSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000329457975 389164995 /nfs/dbraw/zinc/16/49/95/389164995.db2.gz QWQPWELJYODBSJ-VXGBXAGGSA-N 1 2 292.339 0.651 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125312381 389165666 /nfs/dbraw/zinc/16/56/66/389165666.db2.gz IZMSLVCVQIJNOC-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125312381 389165669 /nfs/dbraw/zinc/16/56/69/389165669.db2.gz IZMSLVCVQIJNOC-AWEZNQCLSA-N 1 2 286.379 0.337 20 30 CCEDLO O=C(NCCn1ncnn1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329520664 389168328 /nfs/dbraw/zinc/16/83/28/389168328.db2.gz FLHWRVAMKZTEHV-LBPRGKRZSA-N 1 2 294.359 0.273 20 30 CCEDLO O=C(NCCn1ncnn1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329520664 389168332 /nfs/dbraw/zinc/16/83/32/389168332.db2.gz FLHWRVAMKZTEHV-LBPRGKRZSA-N 1 2 294.359 0.273 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2ccncc2)CC1 ZINC000329554686 389171026 /nfs/dbraw/zinc/17/10/26/389171026.db2.gz PZKSPFOUSWVRDZ-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000126696555 389171161 /nfs/dbraw/zinc/17/11/61/389171161.db2.gz BDFVPFLXVJUGFX-UHFFFAOYSA-N 1 2 296.330 0.314 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000359333200 389171409 /nfs/dbraw/zinc/17/14/09/389171409.db2.gz SNHMWUDMGMAPPJ-GHMZBOCLSA-N 1 2 264.329 0.717 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359445336 389173966 /nfs/dbraw/zinc/17/39/66/389173966.db2.gz KLABVJXFXGJAPQ-LBPRGKRZSA-N 1 2 251.330 0.635 20 30 CCEDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1snnc1C1CC1 ZINC000329603375 389175007 /nfs/dbraw/zinc/17/50/07/389175007.db2.gz YKSQNNXEDHCUFU-SNVBAGLBSA-N 1 2 293.396 0.720 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329620420 389177682 /nfs/dbraw/zinc/17/76/82/389177682.db2.gz MRPPFYLCXLXGOJ-UHFFFAOYSA-N 1 2 266.326 0.332 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248642747 389247438 /nfs/dbraw/zinc/24/74/38/389247438.db2.gz ZVIJXDYSQSDZJJ-LSDHHAIUSA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248642747 389247440 /nfs/dbraw/zinc/24/74/40/389247440.db2.gz ZVIJXDYSQSDZJJ-LSDHHAIUSA-N 1 2 294.399 0.771 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1cccs1 ZINC000136074322 389264470 /nfs/dbraw/zinc/26/44/70/389264470.db2.gz PAKBAAIKFVXGMI-UHFFFAOYSA-N 1 2 257.315 0.036 20 30 CCEDLO CN(C)c1ccc(CNC(=O)CN2CCOCC2=O)c[nH+]1 ZINC000329869810 389207833 /nfs/dbraw/zinc/20/78/33/389207833.db2.gz ZKDJWWUQHVHEJL-UHFFFAOYSA-N 1 2 292.339 0.463 20 30 CCEDLO C#CCN(C(=O)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000130937468 389208918 /nfs/dbraw/zinc/20/89/18/389208918.db2.gz QZWLCOCTCWOVRZ-UHFFFAOYSA-N 1 2 279.384 0.906 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000329908236 389210388 /nfs/dbraw/zinc/21/03/88/389210388.db2.gz LNXZFMNHUCAPBY-LLVKDONJSA-N 1 2 254.330 0.844 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329971096 389215663 /nfs/dbraw/zinc/21/56/63/389215663.db2.gz VIYSPFSHHSMISM-RFGFWPKPSA-N 1 2 297.399 0.525 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329971096 389215667 /nfs/dbraw/zinc/21/56/67/389215667.db2.gz VIYSPFSHHSMISM-RFGFWPKPSA-N 1 2 297.399 0.525 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000342483364 389218984 /nfs/dbraw/zinc/21/89/84/389218984.db2.gz DTRJGODZBWRXEF-NEPJUHHUSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000342483364 389218986 /nfs/dbraw/zinc/21/89/86/389218986.db2.gz DTRJGODZBWRXEF-NEPJUHHUSA-N 1 2 254.378 0.496 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000342497925 389220024 /nfs/dbraw/zinc/22/00/24/389220024.db2.gz AQDCBTJJXBHNPR-NSHDSACASA-N 1 2 276.340 0.397 20 30 CCEDLO CC[N@H+](CCN1CCCS1(=O)=O)C[C@@H](C)C#N ZINC000330364722 389221770 /nfs/dbraw/zinc/22/17/70/389221770.db2.gz VGXGWWBAUWYPCD-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CC[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](C)C#N ZINC000330364722 389221772 /nfs/dbraw/zinc/22/17/72/389221772.db2.gz VGXGWWBAUWYPCD-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000330376602 389222487 /nfs/dbraw/zinc/22/24/87/389222487.db2.gz DPUSDBXZHFKJCB-UWVGGRQHSA-N 1 2 253.302 0.009 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000330376602 389222489 /nfs/dbraw/zinc/22/24/89/389222489.db2.gz DPUSDBXZHFKJCB-UWVGGRQHSA-N 1 2 253.302 0.009 20 30 CCEDLO C[C@H](CNC(=O)NCC(C)(C)C(N)=O)[NH+]1CCOCC1 ZINC000330396802 389224383 /nfs/dbraw/zinc/22/43/83/389224383.db2.gz GFSFXIOWNOQWIE-SNVBAGLBSA-N 1 2 286.376 0.772 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000330393258 389224646 /nfs/dbraw/zinc/22/46/46/389224646.db2.gz BQUDSCOCVBVHBA-NSHDSACASA-N 1 2 293.371 0.186 20 30 CCEDLO COCCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330453825 389230922 /nfs/dbraw/zinc/23/09/22/389230922.db2.gz CAJGVDLEYYSNES-LLVKDONJSA-N 1 2 259.350 0.199 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246757676 389231669 /nfs/dbraw/zinc/23/16/69/389231669.db2.gz VWADQQBUNWCGDQ-ZIAGYGMSSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246757676 389231673 /nfs/dbraw/zinc/23/16/73/389231673.db2.gz VWADQQBUNWCGDQ-ZIAGYGMSSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@@H](CO)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330467685 389233238 /nfs/dbraw/zinc/23/32/38/389233238.db2.gz JJRCNHIHLGPLOF-LLVKDONJSA-N 1 2 280.372 0.894 20 30 CCEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000246943584 389233663 /nfs/dbraw/zinc/23/36/63/389233663.db2.gz QWLQGYMGZNYQMQ-NWDGAFQWSA-N 1 2 269.345 0.094 20 30 CCEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000246943584 389233666 /nfs/dbraw/zinc/23/36/66/389233666.db2.gz QWLQGYMGZNYQMQ-NWDGAFQWSA-N 1 2 269.345 0.094 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330530754 389238486 /nfs/dbraw/zinc/23/84/86/389238486.db2.gz RUSHMMFQMYZGCZ-MFKMUULPSA-N 1 2 281.360 0.198 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330530754 389238489 /nfs/dbraw/zinc/23/84/89/389238489.db2.gz RUSHMMFQMYZGCZ-MFKMUULPSA-N 1 2 281.360 0.198 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000366912765 389312327 /nfs/dbraw/zinc/31/23/27/389312327.db2.gz SGVSFVFLHZNFAM-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000366912765 389312331 /nfs/dbraw/zinc/31/23/31/389312331.db2.gz SGVSFVFLHZNFAM-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCCC#N)C2)CC1 ZINC000345822860 389315599 /nfs/dbraw/zinc/31/55/99/389315599.db2.gz YEOROAQUXUDCOO-AWEZNQCLSA-N 1 2 293.415 0.712 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCCCC#N)CC1 ZINC000345810161 389315649 /nfs/dbraw/zinc/31/56/49/389315649.db2.gz FRJSDEDWZYEPLP-UHFFFAOYSA-N 1 2 290.371 0.551 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000346252379 389325134 /nfs/dbraw/zinc/32/51/34/389325134.db2.gz ZPXDVPKXOGTUCT-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO CC[C@@H](OC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346497775 389330256 /nfs/dbraw/zinc/33/02/56/389330256.db2.gz BATOXBCOFUYFCE-CYBMUJFWSA-N 1 2 283.372 0.486 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC000264136505 389308431 /nfs/dbraw/zinc/30/84/31/389308431.db2.gz GYDFCTIKNKRIIJ-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC000264136505 389308433 /nfs/dbraw/zinc/30/84/33/389308433.db2.gz GYDFCTIKNKRIIJ-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)n1 ZINC000348099854 389365104 /nfs/dbraw/zinc/36/51/04/389365104.db2.gz WUOLBYXKRGYSAI-SECBINFHSA-N 1 2 265.317 0.791 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411987840 389473018 /nfs/dbraw/zinc/47/30/18/389473018.db2.gz PWQJVAMFXRGQEX-MRXNPFEDSA-N 1 2 299.330 0.736 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411987840 389473019 /nfs/dbraw/zinc/47/30/19/389473019.db2.gz PWQJVAMFXRGQEX-MRXNPFEDSA-N 1 2 299.330 0.736 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412071921 389474003 /nfs/dbraw/zinc/47/40/03/389474003.db2.gz KUBNEMPNPOUVFT-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412071921 389474006 /nfs/dbraw/zinc/47/40/06/389474006.db2.gz KUBNEMPNPOUVFT-OLZOCXBDSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412071922 389474472 /nfs/dbraw/zinc/47/44/72/389474472.db2.gz KUBNEMPNPOUVFT-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412071922 389474476 /nfs/dbraw/zinc/47/44/76/389474476.db2.gz KUBNEMPNPOUVFT-QWHCGFSZSA-N 1 2 268.357 0.269 20 30 CCEDLO Cn1ncc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)c1C#N ZINC000350137783 389491793 /nfs/dbraw/zinc/49/17/93/389491793.db2.gz YLMYLBMBFLBLPQ-NSHDSACASA-N 1 2 285.311 0.014 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371824617 389438407 /nfs/dbraw/zinc/43/84/07/389438407.db2.gz XGHJWYDNMANVJS-DZGCQCFKSA-N 1 2 294.399 0.057 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371824617 389438413 /nfs/dbraw/zinc/43/84/13/389438413.db2.gz XGHJWYDNMANVJS-DZGCQCFKSA-N 1 2 294.399 0.057 20 30 CCEDLO N#CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000372020438 389441980 /nfs/dbraw/zinc/44/19/80/389441980.db2.gz LHMGKJBFOKNJMO-GFCCVEGCSA-N 1 2 251.330 0.613 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372126748 389444203 /nfs/dbraw/zinc/44/42/03/389444203.db2.gz QBKFBIQAOFMJMR-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372126748 389444205 /nfs/dbraw/zinc/44/42/05/389444205.db2.gz QBKFBIQAOFMJMR-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)NCC2CC2)C(N)=O)cc1 ZINC000349912038 389459055 /nfs/dbraw/zinc/45/90/55/389459055.db2.gz DTSLMMARPRYXFY-AWEZNQCLSA-N 1 2 286.335 0.200 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)OC)C1=O ZINC000281204272 389610933 /nfs/dbraw/zinc/61/09/33/389610933.db2.gz CSAOOQYSHYDWSU-GHMZBOCLSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)OC)C1=O ZINC000281204272 389610935 /nfs/dbraw/zinc/61/09/35/389610935.db2.gz CSAOOQYSHYDWSU-GHMZBOCLSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)CC)C1=O ZINC000281527720 389618755 /nfs/dbraw/zinc/61/87/55/389618755.db2.gz ZUFUIAOXUNVFKV-STQMWFEESA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CC)CC)C1=O ZINC000281527720 389618758 /nfs/dbraw/zinc/61/87/58/389618758.db2.gz ZUFUIAOXUNVFKV-STQMWFEESA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)c(OC)co2)C1=O ZINC000281509502 389618909 /nfs/dbraw/zinc/61/89/09/389618909.db2.gz YOFVLEDZHSZNRM-GFCCVEGCSA-N 1 2 292.335 0.867 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)c(OC)co2)C1=O ZINC000281509502 389618914 /nfs/dbraw/zinc/61/89/14/389618914.db2.gz YOFVLEDZHSZNRM-GFCCVEGCSA-N 1 2 292.335 0.867 20 30 CCEDLO O[C@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000336426989 389636168 /nfs/dbraw/zinc/63/61/68/389636168.db2.gz PJNFGYSGUIDFEF-STQMWFEESA-N 1 2 251.713 0.729 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000424966281 389636554 /nfs/dbraw/zinc/63/65/54/389636554.db2.gz MDCXIJLDAWBRJD-NWDGAFQWSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280134357 389597930 /nfs/dbraw/zinc/59/79/30/389597930.db2.gz QSPAXIZUFDQNKB-OLZOCXBDSA-N 1 2 291.399 0.399 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280134357 389597932 /nfs/dbraw/zinc/59/79/32/389597932.db2.gz QSPAXIZUFDQNKB-OLZOCXBDSA-N 1 2 291.399 0.399 20 30 CCEDLO N#CCC[N@@H+](CCCC(=O)NC(N)=O)Cc1ccccn1 ZINC000178387596 389603993 /nfs/dbraw/zinc/60/39/93/389603993.db2.gz FUWVOQRLIRHWQE-UHFFFAOYSA-N 1 2 289.339 0.772 20 30 CCEDLO N#CCC[N@H+](CCCC(=O)NC(N)=O)Cc1ccccn1 ZINC000178387596 389603995 /nfs/dbraw/zinc/60/39/95/389603995.db2.gz FUWVOQRLIRHWQE-UHFFFAOYSA-N 1 2 289.339 0.772 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)C(C)C ZINC000351522467 389604077 /nfs/dbraw/zinc/60/40/77/389604077.db2.gz YHYQMKUYDGPAMD-AWEZNQCLSA-N 1 2 295.383 0.926 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)C(C)C ZINC000351522467 389604080 /nfs/dbraw/zinc/60/40/80/389604080.db2.gz YHYQMKUYDGPAMD-AWEZNQCLSA-N 1 2 295.383 0.926 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cccnc2)C1=O ZINC000282146027 389657952 /nfs/dbraw/zinc/65/79/52/389657952.db2.gz ZZMFHOKTWIWFPT-CQSZACIVSA-N 1 2 275.352 0.663 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cccnc2)C1=O ZINC000282146027 389657963 /nfs/dbraw/zinc/65/79/63/389657963.db2.gz ZZMFHOKTWIWFPT-CQSZACIVSA-N 1 2 275.352 0.663 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000425938600 389661397 /nfs/dbraw/zinc/66/13/97/389661397.db2.gz AMYLSDFHCODWPD-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000425938600 389661403 /nfs/dbraw/zinc/66/14/03/389661403.db2.gz AMYLSDFHCODWPD-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000396042162 389777386 /nfs/dbraw/zinc/77/73/86/389777386.db2.gz WHANFZIKAJUXOK-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000396042162 389777387 /nfs/dbraw/zinc/77/73/87/389777387.db2.gz WHANFZIKAJUXOK-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371293 389799759 /nfs/dbraw/zinc/79/97/59/389799759.db2.gz IDOIPLYWKSWAFG-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352371293 389799761 /nfs/dbraw/zinc/79/97/61/389799761.db2.gz IDOIPLYWKSWAFG-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CCO1 ZINC000399385600 389790840 /nfs/dbraw/zinc/79/08/40/389790840.db2.gz LEBBQHDOIUXDBA-LBPRGKRZSA-N 1 2 261.281 0.640 20 30 CCEDLO Cc1nnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1C ZINC000183282768 389729526 /nfs/dbraw/zinc/72/95/26/389729526.db2.gz YCCCNHGJPKOKHI-UHFFFAOYSA-N 1 2 287.323 0.896 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352398828 389804510 /nfs/dbraw/zinc/80/45/10/389804510.db2.gz QDEYGTZQKIUHJK-JTQLQIEISA-N 1 2 267.720 0.423 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352398828 389804511 /nfs/dbraw/zinc/80/45/11/389804511.db2.gz QDEYGTZQKIUHJK-JTQLQIEISA-N 1 2 267.720 0.423 20 30 CCEDLO Cc1cc(NCCN2C(=O)CCC2=O)c(C#N)c[nH+]1 ZINC000405422300 389814127 /nfs/dbraw/zinc/81/41/27/389814127.db2.gz DYVBPCGAPPWJJP-UHFFFAOYSA-N 1 2 258.281 0.245 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352479100 389817536 /nfs/dbraw/zinc/81/75/36/389817536.db2.gz ANFMNGBQIUJMLZ-VIFPVBQESA-N 1 2 282.319 0.691 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352478739 389817558 /nfs/dbraw/zinc/81/75/58/389817558.db2.gz ZZYBOVHUOCYXKO-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@H]1[C@@H]1CCCO1 ZINC000408211106 389835858 /nfs/dbraw/zinc/83/58/58/389835858.db2.gz MSBGUCANSDHJFN-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@H]1[C@@H]1CCCO1 ZINC000408211106 389835861 /nfs/dbraw/zinc/83/58/61/389835861.db2.gz MSBGUCANSDHJFN-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO CCN1CCN(C(=O)CSCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000433123500 389899148 /nfs/dbraw/zinc/89/91/48/389899148.db2.gz VFHMUFVUERFQSF-NSHDSACASA-N 1 2 293.396 0.872 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC#N ZINC000434387558 389932008 /nfs/dbraw/zinc/93/20/08/389932008.db2.gz VACUBUWBFLOLJD-GFCCVEGCSA-N 1 2 268.361 0.652 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487920078 390090430 /nfs/dbraw/zinc/09/04/30/390090430.db2.gz QSMIPRWYMCVYPE-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491715411 390116318 /nfs/dbraw/zinc/11/63/18/390116318.db2.gz JUOLIDWYHUPOOH-VIFPVBQESA-N 1 2 273.296 0.989 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491715411 390116319 /nfs/dbraw/zinc/11/63/19/390116319.db2.gz JUOLIDWYHUPOOH-VIFPVBQESA-N 1 2 273.296 0.989 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494085585 390147608 /nfs/dbraw/zinc/14/76/08/390147608.db2.gz KLIHKOIDSQRPEE-ZDUSSCGKSA-N 1 2 295.383 0.938 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494085585 390147610 /nfs/dbraw/zinc/14/76/10/390147610.db2.gz KLIHKOIDSQRPEE-ZDUSSCGKSA-N 1 2 295.383 0.938 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000494438203 390173763 /nfs/dbraw/zinc/17/37/63/390173763.db2.gz WBZMWCJCAKLDPW-UHFFFAOYSA-N 1 2 293.290 0.974 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000537169249 390175034 /nfs/dbraw/zinc/17/50/34/390175034.db2.gz RMJJHLAXKMCYDT-UHFFFAOYSA-N 1 2 285.373 0.343 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000580103849 390221545 /nfs/dbraw/zinc/22/15/45/390221545.db2.gz ZJJXSGQBTAFCIB-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000580103849 390221548 /nfs/dbraw/zinc/22/15/48/390221548.db2.gz ZJJXSGQBTAFCIB-SNVBAGLBSA-N 1 2 267.292 0.964 20 30 CCEDLO C[N@@H+]1CCN(C(=O)CC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495514663 390242500 /nfs/dbraw/zinc/24/25/00/390242500.db2.gz SMPOUWGDMMTNFM-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO C[N@H+]1CCN(C(=O)CC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495514663 390242503 /nfs/dbraw/zinc/24/25/03/390242503.db2.gz SMPOUWGDMMTNFM-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)C1=O ZINC000497029651 390405703 /nfs/dbraw/zinc/40/57/03/390405703.db2.gz RUTVRDFCPQAPGJ-LBPRGKRZSA-N 1 2 296.371 0.640 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)C1=O ZINC000497029651 390405705 /nfs/dbraw/zinc/40/57/05/390405705.db2.gz RUTVRDFCPQAPGJ-LBPRGKRZSA-N 1 2 296.371 0.640 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000645404749 390421628 /nfs/dbraw/zinc/42/16/28/390421628.db2.gz MNLHHPIGHBSBRE-GFCCVEGCSA-N 1 2 276.340 0.499 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000645404749 390421629 /nfs/dbraw/zinc/42/16/29/390421629.db2.gz MNLHHPIGHBSBRE-GFCCVEGCSA-N 1 2 276.340 0.499 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1COc2ccccc2O1 ZINC000562323159 390488460 /nfs/dbraw/zinc/48/84/60/390488460.db2.gz SHAOIXONCXEFQQ-HIFRSBDPSA-N 1 2 289.335 0.786 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2nccnc2n1 ZINC000563891579 390494410 /nfs/dbraw/zinc/49/44/10/390494410.db2.gz ZIKMZAWYTLIBBH-AWEZNQCLSA-N 1 2 284.323 0.598 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000649191212 390518162 /nfs/dbraw/zinc/51/81/62/390518162.db2.gz NOGLQGCUZSMOSL-GFCCVEGCSA-N 1 2 271.320 0.767 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000649184968 390514715 /nfs/dbraw/zinc/51/47/15/390514715.db2.gz UWMAYMGLYXXBLM-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccnc(C#N)n1 ZINC000519642483 390522407 /nfs/dbraw/zinc/52/24/07/390522407.db2.gz CSVWRNSHLKSTMY-VXGBXAGGSA-N 1 2 273.340 0.648 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000520247142 390562354 /nfs/dbraw/zinc/56/23/54/390562354.db2.gz VQGBCOUACDQOAH-UHFFFAOYSA-N 1 2 284.323 0.676 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)nc1 ZINC000566416675 390600452 /nfs/dbraw/zinc/60/04/52/390600452.db2.gz RSEVRPIHAXESGH-CQSZACIVSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)nc1 ZINC000566416675 390600458 /nfs/dbraw/zinc/60/04/58/390600458.db2.gz RSEVRPIHAXESGH-CQSZACIVSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000578509370 390888493 /nfs/dbraw/zinc/88/84/93/390888493.db2.gz DQLRJTVLPIBSIX-NSHDSACASA-N 1 2 296.334 0.184 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000578509370 390888495 /nfs/dbraw/zinc/88/84/95/390888495.db2.gz DQLRJTVLPIBSIX-NSHDSACASA-N 1 2 296.334 0.184 20 30 CCEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329420687 533287301 /nfs/dbraw/zinc/28/73/01/533287301.db2.gz GXXIFHUNKGARTM-TUAOUCFPSA-N 1 2 271.361 0.340 20 30 CCEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329420687 533287306 /nfs/dbraw/zinc/28/73/06/533287306.db2.gz GXXIFHUNKGARTM-TUAOUCFPSA-N 1 2 271.361 0.340 20 30 CCEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1C#N ZINC000449770066 533563674 /nfs/dbraw/zinc/56/36/74/533563674.db2.gz IJJZZXQANBOEBE-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1C#N ZINC000449770066 533563676 /nfs/dbraw/zinc/56/36/76/533563676.db2.gz IJJZZXQANBOEBE-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1F ZINC000366759525 130216829 /nfs/dbraw/zinc/21/68/29/130216829.db2.gz QGDIUNSXPAMKEN-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1F ZINC000366759525 130216831 /nfs/dbraw/zinc/21/68/31/130216831.db2.gz QGDIUNSXPAMKEN-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191319814 130219963 /nfs/dbraw/zinc/21/99/63/130219963.db2.gz CVYSYQNRTGOXTJ-ZDUSSCGKSA-N 1 2 260.341 0.853 20 30 CCEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191319814 130219964 /nfs/dbraw/zinc/21/99/64/130219964.db2.gz CVYSYQNRTGOXTJ-ZDUSSCGKSA-N 1 2 260.341 0.853 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)C(N)=O ZINC000191331852 130221688 /nfs/dbraw/zinc/22/16/88/130221688.db2.gz GACRLHLSAAIZNF-JTQLQIEISA-N 1 2 264.329 0.219 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)C(N)=O ZINC000191331852 130221690 /nfs/dbraw/zinc/22/16/90/130221690.db2.gz GACRLHLSAAIZNF-JTQLQIEISA-N 1 2 264.329 0.219 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191371439 130227057 /nfs/dbraw/zinc/22/70/57/130227057.db2.gz DEIWOEIQUMVMPQ-AWEZNQCLSA-N 1 2 276.340 0.234 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191371439 130227058 /nfs/dbraw/zinc/22/70/58/130227058.db2.gz DEIWOEIQUMVMPQ-AWEZNQCLSA-N 1 2 276.340 0.234 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)C ZINC000198201686 397428367 /nfs/dbraw/zinc/42/83/67/397428367.db2.gz JTJUBAAHEAWSQS-ZDUSSCGKSA-N 1 2 268.361 0.061 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000198201686 397428373 /nfs/dbraw/zinc/42/83/73/397428373.db2.gz JTJUBAAHEAWSQS-ZDUSSCGKSA-N 1 2 268.361 0.061 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084083 397399375 /nfs/dbraw/zinc/39/93/75/397399375.db2.gz DOYVZDPBCVHGLZ-UHFFFAOYSA-N 1 2 261.316 0.561 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084083 397399378 /nfs/dbraw/zinc/39/93/78/397399378.db2.gz DOYVZDPBCVHGLZ-UHFFFAOYSA-N 1 2 261.316 0.561 20 30 CCEDLO N#Cc1ccc(NC[C@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000357439012 144091764 /nfs/dbraw/zinc/09/17/64/144091764.db2.gz JFWZMINTUNBFHI-ZDUSSCGKSA-N 1 2 287.323 0.878 20 30 CCEDLO N#Cc1ccc(NC[C@H]2CN3CC[NH+]2CC3)cc1[N+](=O)[O-] ZINC000357439012 144091766 /nfs/dbraw/zinc/09/17/66/144091766.db2.gz JFWZMINTUNBFHI-ZDUSSCGKSA-N 1 2 287.323 0.878 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000358994464 144189239 /nfs/dbraw/zinc/18/92/39/144189239.db2.gz IJJYVSUVERRUKL-CYBMUJFWSA-N 1 2 295.302 0.944 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000358994464 144189240 /nfs/dbraw/zinc/18/92/40/144189240.db2.gz IJJYVSUVERRUKL-CYBMUJFWSA-N 1 2 295.302 0.944 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCC3)CC2)n1 ZINC000546210940 285901822 /nfs/dbraw/zinc/90/18/22/285901822.db2.gz VBAKDKHCRLIGRI-UHFFFAOYSA-N 1 2 285.351 0.308 20 30 CCEDLO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC#N)CC1 ZINC000344129014 411763797 /nfs/dbraw/zinc/76/37/97/411763797.db2.gz XIQQSWPMXVXCAI-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC#N)CC1 ZINC000344129014 411763804 /nfs/dbraw/zinc/76/38/04/411763804.db2.gz XIQQSWPMXVXCAI-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CCC(=O)NC)nn1 ZINC000653539493 412312745 /nfs/dbraw/zinc/31/27/45/412312745.db2.gz BVXUPOAVBFMOEJ-UHFFFAOYSA-N 1 2 251.334 0.422 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CCC(=O)NC)nn1 ZINC000653539493 412312749 /nfs/dbraw/zinc/31/27/49/412312749.db2.gz BVXUPOAVBFMOEJ-UHFFFAOYSA-N 1 2 251.334 0.422 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)nn1 ZINC000653654324 412330796 /nfs/dbraw/zinc/33/07/96/412330796.db2.gz LBITYXLKLBNIFV-GXTWGEPZSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)nn1 ZINC000653654324 412330799 /nfs/dbraw/zinc/33/07/99/412330799.db2.gz LBITYXLKLBNIFV-GXTWGEPZSA-N 1 2 280.372 0.826 20 30 CCEDLO Cc1nnc(NCC[NH+]2CCOCC2)c(C#N)c1C ZINC000040217307 174205628 /nfs/dbraw/zinc/20/56/28/174205628.db2.gz REJPEQNCDDJXCJ-UHFFFAOYSA-N 1 2 261.329 0.709 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)C[C@H]2COCCO2)nn1 ZINC000661613310 414653502 /nfs/dbraw/zinc/65/35/02/414653502.db2.gz IKVLYWVVTHCLJL-ZDUSSCGKSA-N 1 2 266.345 0.701 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)C[C@H]2COCCO2)nn1 ZINC000661613310 414653505 /nfs/dbraw/zinc/65/35/05/414653505.db2.gz IKVLYWVVTHCLJL-ZDUSSCGKSA-N 1 2 266.345 0.701 20 30 CCEDLO CCCCS(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040366829 174248828 /nfs/dbraw/zinc/24/88/28/174248828.db2.gz OETPNAVDCZYOBR-UHFFFAOYSA-N 1 2 259.375 0.694 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000662165336 414694989 /nfs/dbraw/zinc/69/49/89/414694989.db2.gz CAMVAMTZUYYNAP-GFCCVEGCSA-N 1 2 273.340 0.916 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000078489139 177346073 /nfs/dbraw/zinc/34/60/73/177346073.db2.gz DSIPBZPQYDDDNE-UHFFFAOYSA-N 1 2 283.328 0.633 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000665627558 416467503 /nfs/dbraw/zinc/46/75/03/416467503.db2.gz UHUYARLGZBKHNZ-CYBMUJFWSA-N 1 2 261.325 0.273 20 30 CCEDLO Cc1cc(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)on1 ZINC000330293967 228104298 /nfs/dbraw/zinc/10/42/98/228104298.db2.gz IEGNWJAXNSLKIN-QWRGUYRKSA-N 1 2 280.328 0.586 20 30 CCEDLO Cc1cc(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)on1 ZINC000330293967 228104299 /nfs/dbraw/zinc/10/42/99/228104299.db2.gz IEGNWJAXNSLKIN-QWRGUYRKSA-N 1 2 280.328 0.586 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330132096 228046075 /nfs/dbraw/zinc/04/60/75/228046075.db2.gz LHGPDZFLEWLURL-OCCSQVGLSA-N 1 2 297.399 0.732 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCOC1 ZINC000352105686 228183598 /nfs/dbraw/zinc/18/35/98/228183598.db2.gz VIGHJTXFXQOESS-AWEZNQCLSA-N 1 2 295.383 0.487 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000342016036 545056105 /nfs/dbraw/zinc/05/61/05/545056105.db2.gz VYEVOIKOACANKH-CQSZACIVSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CCn1nnnc1SCC[N@H+]1CCOC[C@H]1C ZINC000188300852 260125680 /nfs/dbraw/zinc/12/56/80/260125680.db2.gz IWCZIDHHQDGLFE-SNVBAGLBSA-N 1 2 269.374 0.672 20 30 CCEDLO C=CCn1nnnc1SCC[N@@H+]1CCOC[C@H]1C ZINC000188300852 260125682 /nfs/dbraw/zinc/12/56/82/260125682.db2.gz IWCZIDHHQDGLFE-SNVBAGLBSA-N 1 2 269.374 0.672 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066041 260203659 /nfs/dbraw/zinc/20/36/59/260203659.db2.gz KAQYGMPDRCUAGN-UHFFFAOYSA-N 1 2 253.277 0.907 20 30 CCEDLO N#C[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CCO1 ZINC000408078107 260217269 /nfs/dbraw/zinc/21/72/69/260217269.db2.gz AEAACLAPOYZPHX-NSHDSACASA-N 1 2 287.310 0.714 20 30 CCEDLO N#CCC[N@@H+](CC(=O)N1CCNC1=O)CC1CC1 ZINC000081514655 260334039 /nfs/dbraw/zinc/33/40/39/260334039.db2.gz ZUWOCOVTOLMJPH-UHFFFAOYSA-N 1 2 250.302 0.164 20 30 CCEDLO N#CCC[N@H+](CC(=O)N1CCNC1=O)CC1CC1 ZINC000081514655 260334041 /nfs/dbraw/zinc/33/40/41/260334041.db2.gz ZUWOCOVTOLMJPH-UHFFFAOYSA-N 1 2 250.302 0.164 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC=C)CC1 ZINC000119935470 260698434 /nfs/dbraw/zinc/69/84/34/260698434.db2.gz SMYJZUDYTYEJED-UHFFFAOYSA-N 1 2 256.371 0.533 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000302913223 261263040 /nfs/dbraw/zinc/26/30/40/261263040.db2.gz SQXMGWPCSJGLPT-WFASDCNBSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000302913223 261263041 /nfs/dbraw/zinc/26/30/41/261263041.db2.gz SQXMGWPCSJGLPT-WFASDCNBSA-N 1 2 294.399 0.593 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491220110 261372827 /nfs/dbraw/zinc/37/28/27/261372827.db2.gz KIZMNUJIZRVCQZ-MJBXVCDLSA-N 1 2 279.384 0.903 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CN2CC(F)(F)CC2=O)CC1 ZINC000491772627 262027286 /nfs/dbraw/zinc/02/72/86/262027286.db2.gz USIGYWRTWJMUQL-UHFFFAOYSA-N 1 2 299.321 0.273 20 30 CCEDLO CNC(=O)c1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000187857418 262145205 /nfs/dbraw/zinc/14/52/05/262145205.db2.gz IMCVRKDHKCCDNB-UHFFFAOYSA-N 1 2 251.286 0.217 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000192222580 262200428 /nfs/dbraw/zinc/20/04/28/262200428.db2.gz DTKUPVUKXHZSDG-UHFFFAOYSA-N 1 2 293.411 0.657 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000192222580 262200430 /nfs/dbraw/zinc/20/04/30/262200430.db2.gz DTKUPVUKXHZSDG-UHFFFAOYSA-N 1 2 293.411 0.657 20 30 CCEDLO NC(COc1ccccc1)=[NH+]OCC1OCCO1 ZINC000194625219 262240465 /nfs/dbraw/zinc/24/04/65/262240465.db2.gz RJOFTKOYGRIUKK-UHFFFAOYSA-N 1 2 252.270 0.727 20 30 CCEDLO NC(COc1cccc(F)c1)=[NH+]OCC1OCCO1 ZINC000194706275 262241591 /nfs/dbraw/zinc/24/15/91/262241591.db2.gz TVZUEEWBSAHREF-UHFFFAOYSA-N 1 2 270.260 0.866 20 30 CCEDLO O=C(C#Cc1ccccc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111811 262253978 /nfs/dbraw/zinc/25/39/78/262253978.db2.gz YHUYJLIJRSTIQH-MRXNPFEDSA-N 1 2 284.359 0.971 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000339516279 262650293 /nfs/dbraw/zinc/65/02/93/262650293.db2.gz HNWQZBCGQOPDFX-LLVKDONJSA-N 1 2 287.310 0.714 20 30 CCEDLO COc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1OC ZINC000274308609 263022890 /nfs/dbraw/zinc/02/28/90/263022890.db2.gz AHWAAXFPVVOHCO-UHFFFAOYSA-N 1 2 297.311 0.314 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325703 263067936 /nfs/dbraw/zinc/06/79/36/263067936.db2.gz LOCCBMZRMYZXPS-STQMWFEESA-N 1 2 292.383 0.466 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325703 263067937 /nfs/dbraw/zinc/06/79/37/263067937.db2.gz LOCCBMZRMYZXPS-STQMWFEESA-N 1 2 292.383 0.466 20 30 CCEDLO CCCc1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284378318 263086669 /nfs/dbraw/zinc/08/66/69/263086669.db2.gz LWDKJTRHGCXMEC-MRVPVSSYSA-N 1 2 254.290 0.990 20 30 CCEDLO CCCc1nc(CO[NH+]=C(N)[C@H]2CCCO2)no1 ZINC000284399330 263086723 /nfs/dbraw/zinc/08/67/23/263086723.db2.gz MYZSBFYYCPJEET-MRVPVSSYSA-N 1 2 254.290 0.990 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227186 263098281 /nfs/dbraw/zinc/09/82/81/263098281.db2.gz VVUFAAPQABRSNG-NWDGAFQWSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227186 263098282 /nfs/dbraw/zinc/09/82/82/263098282.db2.gz VVUFAAPQABRSNG-NWDGAFQWSA-N 1 2 265.357 0.396 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289772193 263112127 /nfs/dbraw/zinc/11/21/27/263112127.db2.gz ZWCLLZSNIGFOAB-JTQLQIEISA-N 1 2 283.357 0.035 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000121375276 263294112 /nfs/dbraw/zinc/29/41/12/263294112.db2.gz AVABOAVAZKPHEO-UHFFFAOYSA-N 1 2 297.380 0.699 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000121375276 263294114 /nfs/dbraw/zinc/29/41/14/263294114.db2.gz AVABOAVAZKPHEO-UHFFFAOYSA-N 1 2 297.380 0.699 20 30 CCEDLO C#CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045580102 263301278 /nfs/dbraw/zinc/30/12/78/263301278.db2.gz BDQBMKYQPJSTDP-HNNXBMFYSA-N 1 2 287.363 0.992 20 30 CCEDLO COCCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341981609 263369784 /nfs/dbraw/zinc/36/97/84/263369784.db2.gz FPWBDJSTQZNDQM-UHFFFAOYSA-N 1 2 283.372 0.391 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[S@@]1=O ZINC000330632758 264001365 /nfs/dbraw/zinc/00/13/65/264001365.db2.gz RJUIURAZDINVTD-ZMZPIMSZSA-N 1 2 271.386 0.201 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[S@@]1=O ZINC000330632758 264001366 /nfs/dbraw/zinc/00/13/66/264001366.db2.gz RJUIURAZDINVTD-ZMZPIMSZSA-N 1 2 271.386 0.201 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330905934 264074057 /nfs/dbraw/zinc/07/40/57/264074057.db2.gz NFAXCBWSVDSBBI-WFASDCNBSA-N 1 2 292.383 0.942 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330937297 264082064 /nfs/dbraw/zinc/08/20/64/264082064.db2.gz UHZTYVRBRMBRGH-NEPJUHHUSA-N 1 2 273.377 0.228 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330937297 264082065 /nfs/dbraw/zinc/08/20/65/264082065.db2.gz UHZTYVRBRMBRGH-NEPJUHHUSA-N 1 2 273.377 0.228 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000330988002 264104255 /nfs/dbraw/zinc/10/42/55/264104255.db2.gz XKRAZDOSJIXRTH-CYBMUJFWSA-N 1 2 256.346 0.104 20 30 CCEDLO CCC[C@](C)(CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000331287266 264172988 /nfs/dbraw/zinc/17/29/88/264172988.db2.gz HOKCCGHAJQEDMI-GXTWGEPZSA-N 1 2 286.420 0.287 20 30 CCEDLO CCC[C@](C)(CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000331287266 264172989 /nfs/dbraw/zinc/17/29/89/264172989.db2.gz HOKCCGHAJQEDMI-GXTWGEPZSA-N 1 2 286.420 0.287 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCNC1=O ZINC000331309366 264186506 /nfs/dbraw/zinc/18/65/06/264186506.db2.gz UECZRCRVVWGZLQ-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCNC1=O ZINC000331309366 264186507 /nfs/dbraw/zinc/18/65/07/264186507.db2.gz UECZRCRVVWGZLQ-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189433290 264298358 /nfs/dbraw/zinc/29/83/58/264298358.db2.gz HBZVQDJXNAROIJ-STQMWFEESA-N 1 2 283.372 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189433290 264298359 /nfs/dbraw/zinc/29/83/59/264298359.db2.gz HBZVQDJXNAROIJ-STQMWFEESA-N 1 2 283.372 0.484 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000129695211 264328254 /nfs/dbraw/zinc/32/82/54/264328254.db2.gz GWIARPXVHCPIIQ-UHFFFAOYSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000129695211 264328256 /nfs/dbraw/zinc/32/82/56/264328256.db2.gz GWIARPXVHCPIIQ-UHFFFAOYSA-N 1 2 279.384 0.740 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@](C)(CCC)C(=O)OC ZINC000293274263 264922936 /nfs/dbraw/zinc/92/29/36/264922936.db2.gz YCSLTJGBCXDUSD-ZDUSSCGKSA-N 1 2 254.330 0.447 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356761385 266169743 /nfs/dbraw/zinc/16/97/43/266169743.db2.gz DSTNYVRORFGENO-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356874652 266201692 /nfs/dbraw/zinc/20/16/92/266201692.db2.gz PVGMPPBKXSXNCA-ZDUSSCGKSA-N 1 2 291.351 0.191 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000357114504 266250533 /nfs/dbraw/zinc/25/05/33/266250533.db2.gz FMWKTIUEAPMQOY-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H](C)O ZINC000357561420 266325364 /nfs/dbraw/zinc/32/53/64/266325364.db2.gz GOMVUYWTLZMHFK-KGLIPLIRSA-N 1 2 297.399 0.468 20 30 CCEDLO C=CCOC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000357670058 266342933 /nfs/dbraw/zinc/34/29/33/266342933.db2.gz FIJBUWSMYGIRHB-NSHDSACASA-N 1 2 281.312 0.203 20 30 CCEDLO C=CCOC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000357670058 266342937 /nfs/dbraw/zinc/34/29/37/266342937.db2.gz FIJBUWSMYGIRHB-NSHDSACASA-N 1 2 281.312 0.203 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000370426916 267317425 /nfs/dbraw/zinc/31/74/25/267317425.db2.gz ZSFQKKCJQGYCNQ-GFCCVEGCSA-N 1 2 263.341 0.613 20 30 CCEDLO Cc1oc(NC(=O)C[NH2+]C2(C(N)=O)CC2)c(C#N)c1C ZINC000181727046 279273768 /nfs/dbraw/zinc/27/37/68/279273768.db2.gz DNXFQSWBQMEOGM-UHFFFAOYSA-N 1 2 276.296 0.314 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000332529035 290113733 /nfs/dbraw/zinc/11/37/33/290113733.db2.gz QIORNKYXYAULMH-KBPBESRZSA-N 1 2 286.335 0.498 20 30 CCEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000332529035 290113741 /nfs/dbraw/zinc/11/37/41/290113741.db2.gz QIORNKYXYAULMH-KBPBESRZSA-N 1 2 286.335 0.498 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000329770405 302355470 /nfs/dbraw/zinc/35/54/70/302355470.db2.gz FYVXSLJTPUOEOC-VHSXEESVSA-N 1 2 266.301 0.543 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000329770405 302355471 /nfs/dbraw/zinc/35/54/71/302355471.db2.gz FYVXSLJTPUOEOC-VHSXEESVSA-N 1 2 266.301 0.543 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271529893 303190747 /nfs/dbraw/zinc/19/07/47/303190747.db2.gz IHAHHPXYLHROFB-GFCCVEGCSA-N 1 2 261.350 0.961 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271529893 303190748 /nfs/dbraw/zinc/19/07/48/303190748.db2.gz IHAHHPXYLHROFB-GFCCVEGCSA-N 1 2 261.350 0.961 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184553611 327829669 /nfs/dbraw/zinc/82/96/69/327829669.db2.gz SBQGKEVLDNYLRP-MNOVXSKESA-N 1 2 250.298 0.695 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000048566626 328315553 /nfs/dbraw/zinc/31/55/53/328315553.db2.gz ZSVWRBKBNXEDME-UHFFFAOYSA-N 1 2 257.337 0.876 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C=O)cc2)CC1 ZINC000113185496 328455626 /nfs/dbraw/zinc/45/56/26/328455626.db2.gz AEOPFNJBQZPVOP-UHFFFAOYSA-N 1 2 286.331 0.655 20 30 CCEDLO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399568967 326808004 /nfs/dbraw/zinc/80/80/04/326808004.db2.gz HZTJKUXFOYOWTE-SNVBAGLBSA-N 1 2 251.311 0.283 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COC1CCCC1 ZINC000573376653 327139229 /nfs/dbraw/zinc/13/92/29/327139229.db2.gz WTKVWYRSDYFAOE-CYBMUJFWSA-N 1 2 253.346 0.906 20 30 CCEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCO)cn2)n1 ZINC000111997765 327283350 /nfs/dbraw/zinc/28/33/50/327283350.db2.gz UVGCMTPXRCXSSH-UHFFFAOYSA-N 1 2 275.312 0.513 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000507282070 332801629 /nfs/dbraw/zinc/80/16/29/332801629.db2.gz RHBWTKZDIRQHAI-AWEZNQCLSA-N 1 2 286.335 0.236 20 30 CCEDLO CCC(CC)[C@H](C(=O)NCC#N)[NH+]1CCOCC1 ZINC000173373097 329146422 /nfs/dbraw/zinc/14/64/22/329146422.db2.gz BXSOXFVCPYXCHL-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO N#CCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC1CC1 ZINC000177030059 329178450 /nfs/dbraw/zinc/17/84/50/329178450.db2.gz ZVTQDAXQFZJKNL-ZDUSSCGKSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCC[N@H+](CC(=O)NC[C@@H]1CCCO1)CC1CC1 ZINC000177030059 329178451 /nfs/dbraw/zinc/17/84/51/329178451.db2.gz ZVTQDAXQFZJKNL-ZDUSSCGKSA-N 1 2 265.357 0.907 20 30 CCEDLO CC(C)CCN(CCC#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177031972 329178539 /nfs/dbraw/zinc/17/85/39/329178539.db2.gz IOPXUEAXBREHHS-OAHLLOKOSA-N 1 2 283.416 0.941 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1CC(F)F ZINC000582787918 329202313 /nfs/dbraw/zinc/20/23/13/329202313.db2.gz ATGCEFZPTWZXEJ-LBPRGKRZSA-N 1 2 285.298 0.722 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000180539798 329220473 /nfs/dbraw/zinc/22/04/73/329220473.db2.gz GUMZRFSGOZUWBW-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)C[N@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000181246059 329227837 /nfs/dbraw/zinc/22/78/37/329227837.db2.gz SWRKXHSXRRPORT-UHFFFAOYSA-N 1 2 292.339 0.144 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000582960295 329289870 /nfs/dbraw/zinc/28/98/70/329289870.db2.gz KNQNGPYAPBMKJK-NSHDSACASA-N 1 2 292.364 0.867 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186639404 329347049 /nfs/dbraw/zinc/34/70/49/329347049.db2.gz ZPUOIFGNYZDCON-AWEZNQCLSA-N 1 2 279.340 0.530 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186639404 329347050 /nfs/dbraw/zinc/34/70/50/329347050.db2.gz ZPUOIFGNYZDCON-AWEZNQCLSA-N 1 2 279.340 0.530 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000429682256 330058958 /nfs/dbraw/zinc/05/89/58/330058958.db2.gz YDPIJPVMRZVRBU-NSHDSACASA-N 1 2 282.365 0.586 20 30 CCEDLO COCCn1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000516654997 330076858 /nfs/dbraw/zinc/07/68/58/330076858.db2.gz UQPIQZHUNVNQHC-CYBMUJFWSA-N 1 2 279.344 0.103 20 30 CCEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000424130548 330261596 /nfs/dbraw/zinc/26/15/96/330261596.db2.gz FNJCBHPYVGRJAJ-UHFFFAOYSA-N 1 2 259.309 0.976 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](C#N)C3)n2c1 ZINC000093135165 330417637 /nfs/dbraw/zinc/41/76/37/330417637.db2.gz BSZMBEYESMFLEZ-ZDUSSCGKSA-N 1 2 267.292 0.930 20 30 CCEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCOC)CC2)nn1 ZINC000424656378 330442390 /nfs/dbraw/zinc/44/23/90/330442390.db2.gz LSAXKMYKYUFJMT-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451129569 331016775 /nfs/dbraw/zinc/01/67/75/331016775.db2.gz JHTAEYMVPDZNDV-UHFFFAOYSA-N 1 2 251.330 0.612 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451129569 331016776 /nfs/dbraw/zinc/01/67/76/331016776.db2.gz JHTAEYMVPDZNDV-UHFFFAOYSA-N 1 2 251.330 0.612 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000459912889 331303376 /nfs/dbraw/zinc/30/33/76/331303376.db2.gz CBEUEXJZPYZNCI-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C#CCN(CC#C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000490721639 332109311 /nfs/dbraw/zinc/10/93/11/332109311.db2.gz XVOYMXUFSCLWNQ-UHFFFAOYSA-N 1 2 271.276 0.124 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3ccccc32)CC1 ZINC000490800579 332116268 /nfs/dbraw/zinc/11/62/68/332116268.db2.gz VENUXWDJEPXPRP-UHFFFAOYSA-N 1 2 282.347 0.814 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)OC[C@H]2CCCO2)CC1 ZINC000491071577 332146697 /nfs/dbraw/zinc/14/66/97/332146697.db2.gz LPBFFQQKMICLHZ-GFCCVEGCSA-N 1 2 252.314 0.553 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccco3)n2C)CC1 ZINC000491191523 332162864 /nfs/dbraw/zinc/16/28/64/332162864.db2.gz DZWAPEMUZCKYDA-UHFFFAOYSA-N 1 2 299.378 0.949 20 30 CCEDLO C#C[C@@H]1COCCN1Cc1[nH+]ccc(OC)c1OC ZINC000491264351 332176375 /nfs/dbraw/zinc/17/63/75/332176375.db2.gz GEONGWMHRVWZIE-LLVKDONJSA-N 1 2 262.309 0.933 20 30 CCEDLO C#CC[N@H+](CCC[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000491276005 332179090 /nfs/dbraw/zinc/17/90/90/332179090.db2.gz HIZLWYQDWLWDDX-VXGBXAGGSA-N 1 2 259.371 0.270 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491275363 332178893 /nfs/dbraw/zinc/17/88/93/332178893.db2.gz DGTSGJBTGPBHSF-FRRDWIJNSA-N 1 2 267.373 0.807 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000491276005 332179089 /nfs/dbraw/zinc/17/90/89/332179089.db2.gz HIZLWYQDWLWDDX-VXGBXAGGSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@@H+](CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)C1CC1 ZINC000491438873 332211418 /nfs/dbraw/zinc/21/14/18/332211418.db2.gz GJTOMMSEAMNPCX-SNVBAGLBSA-N 1 2 291.351 0.603 20 30 CCEDLO C#CC[N@H+](CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)C1CC1 ZINC000491438873 332211419 /nfs/dbraw/zinc/21/14/19/332211419.db2.gz GJTOMMSEAMNPCX-SNVBAGLBSA-N 1 2 291.351 0.603 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515689 332227254 /nfs/dbraw/zinc/22/72/54/332227254.db2.gz PCXLSPKYGSETQC-QWHCGFSZSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515689 332227256 /nfs/dbraw/zinc/22/72/56/332227256.db2.gz PCXLSPKYGSETQC-QWHCGFSZSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000491624199 332248462 /nfs/dbraw/zinc/24/84/62/332248462.db2.gz JOXNWAVPTSDHGN-RYUDHWBXSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000491624199 332248463 /nfs/dbraw/zinc/24/84/63/332248463.db2.gz JOXNWAVPTSDHGN-RYUDHWBXSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000491637589 332258104 /nfs/dbraw/zinc/25/81/04/332258104.db2.gz UWIPTDWKBDAEPA-UHFFFAOYSA-N 1 2 264.300 0.886 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000491637589 332258105 /nfs/dbraw/zinc/25/81/05/332258105.db2.gz UWIPTDWKBDAEPA-UHFFFAOYSA-N 1 2 264.300 0.886 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000491669634 332276998 /nfs/dbraw/zinc/27/69/98/332276998.db2.gz UOGMKWWPJKKCCQ-YGRLFVJLSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000491669634 332276999 /nfs/dbraw/zinc/27/69/99/332276999.db2.gz UOGMKWWPJKKCCQ-YGRLFVJLSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491807808 332360863 /nfs/dbraw/zinc/36/08/63/332360863.db2.gz TTXSTTJUVMNWCN-CHWSQXEVSA-N 1 2 288.351 0.915 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOC[C@H]1C#N ZINC000492489860 332399903 /nfs/dbraw/zinc/39/99/03/332399903.db2.gz HBLDKAWEIYBHHK-DLRQAJBASA-N 1 2 260.297 0.667 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000007926112 333103544 /nfs/dbraw/zinc/10/35/44/333103544.db2.gz OYOVMGSEYPXHOU-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000007926112 333103545 /nfs/dbraw/zinc/10/35/45/333103545.db2.gz OYOVMGSEYPXHOU-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccnn1C ZINC000575872762 335126805 /nfs/dbraw/zinc/12/68/05/335126805.db2.gz YDAAEPVHSVBZQS-GWCFXTLKSA-N 1 2 263.345 0.484 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189483168 333193552 /nfs/dbraw/zinc/19/35/52/333193552.db2.gz SKEYPYRXROHUFQ-MRVPVSSYSA-N 1 2 297.277 0.243 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189483168 333193553 /nfs/dbraw/zinc/19/35/53/333193553.db2.gz SKEYPYRXROHUFQ-MRVPVSSYSA-N 1 2 297.277 0.243 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761206 333455912 /nfs/dbraw/zinc/45/59/12/333455912.db2.gz HIFCHSIWLBLCSO-UHFFFAOYSA-N 1 2 297.362 0.930 20 30 CCEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C2(C#N)CCC2)n1 ZINC000545787592 334000584 /nfs/dbraw/zinc/00/05/84/334000584.db2.gz AUFQAGRKGGNCJJ-JTQLQIEISA-N 1 2 261.329 0.933 20 30 CCEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C2(C#N)CCC2)n1 ZINC000545787592 334000585 /nfs/dbraw/zinc/00/05/85/334000585.db2.gz AUFQAGRKGGNCJJ-JTQLQIEISA-N 1 2 261.329 0.933 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551627534 334256257 /nfs/dbraw/zinc/25/62/57/334256257.db2.gz UAXHYMFOJVUXTR-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C(N)=O)C1 ZINC000249531554 334335904 /nfs/dbraw/zinc/33/59/04/334335904.db2.gz BBUWMRJFGADVMB-IXPVHAAZSA-N 1 2 292.383 0.381 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C(N)=O)C1 ZINC000249531554 334335906 /nfs/dbraw/zinc/33/59/06/334335906.db2.gz BBUWMRJFGADVMB-IXPVHAAZSA-N 1 2 292.383 0.381 20 30 CCEDLO C[C@H](C(=O)NCC1(C#N)CC1)[NH+]1CCSCC1 ZINC000564523728 334510807 /nfs/dbraw/zinc/51/08/07/334510807.db2.gz UKDQLKRMVBPBGP-SNVBAGLBSA-N 1 2 253.371 0.844 20 30 CCEDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567816961 334763850 /nfs/dbraw/zinc/76/38/50/334763850.db2.gz PFJDDSKNNYZHGP-LBPRGKRZSA-N 1 2 294.315 0.060 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)CCC1 ZINC000581664876 336120505 /nfs/dbraw/zinc/12/05/05/336120505.db2.gz ICPIVKSQLHZEIV-CQSZACIVSA-N 1 2 295.408 0.757 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)CCC1 ZINC000581664876 336120507 /nfs/dbraw/zinc/12/05/07/336120507.db2.gz ICPIVKSQLHZEIV-CQSZACIVSA-N 1 2 295.408 0.757 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(=O)N1 ZINC000386967770 336183075 /nfs/dbraw/zinc/18/30/75/336183075.db2.gz AWKQUAYDKIAXLM-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(=O)N1 ZINC000386967770 336183076 /nfs/dbraw/zinc/18/30/76/336183076.db2.gz AWKQUAYDKIAXLM-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO Cc1cc(NCCn2cnc(C#N)n2)c(C#N)c[nH+]1 ZINC000425254984 534031123 /nfs/dbraw/zinc/03/11/23/534031123.db2.gz OBLZUSMRAPFDJI-UHFFFAOYSA-N 1 2 253.269 0.259 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052659224 519639780 /nfs/dbraw/zinc/63/97/80/519639780.db2.gz PVQNCBWXRXVHBL-CYBMUJFWSA-N 1 2 268.361 0.237 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052659224 519639781 /nfs/dbraw/zinc/63/97/81/519639781.db2.gz PVQNCBWXRXVHBL-CYBMUJFWSA-N 1 2 268.361 0.237 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000425232062 534813356 /nfs/dbraw/zinc/81/33/56/534813356.db2.gz DZFISIMFIQKHBV-GFCCVEGCSA-N 1 2 287.323 0.878 20 30 CCEDLO C[C@H](O)C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147439907 525739580 /nfs/dbraw/zinc/73/95/80/525739580.db2.gz WQEJUNBLGDPTPD-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@H](O)C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147439907 525739588 /nfs/dbraw/zinc/73/95/88/525739588.db2.gz WQEJUNBLGDPTPD-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000665795356 545107741 /nfs/dbraw/zinc/10/77/41/545107741.db2.gz QNPVZMUXUKKENF-OAHLLOKOSA-N 1 2 291.351 0.471 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352270960 526486667 /nfs/dbraw/zinc/48/66/67/526486667.db2.gz LZEVIENAFXIZNP-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352270960 526486672 /nfs/dbraw/zinc/48/66/72/526486672.db2.gz LZEVIENAFXIZNP-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCNC(=O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000347898852 526546037 /nfs/dbraw/zinc/54/60/37/526546037.db2.gz ZUVJWNSVTUQPMO-UHFFFAOYSA-N 1 2 272.308 0.295 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666449301 545123027 /nfs/dbraw/zinc/12/30/27/545123027.db2.gz BCJWRRQSCKWIGM-AAEUAGOBSA-N 1 2 278.356 0.859 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667247937 545141703 /nfs/dbraw/zinc/14/17/03/545141703.db2.gz NEPIUGXMZZGILC-MNOVXSKESA-N 1 2 264.329 0.555 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH+]ccn1C ZINC000668193847 545166797 /nfs/dbraw/zinc/16/67/97/545166797.db2.gz RFANZAOSECBYTF-NSHDSACASA-N 1 2 264.329 0.507 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000356053578 527544233 /nfs/dbraw/zinc/54/42/33/527544233.db2.gz KVYDCZBKOIXEGQ-GXTWGEPZSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000356053578 527544239 /nfs/dbraw/zinc/54/42/39/527544239.db2.gz KVYDCZBKOIXEGQ-GXTWGEPZSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000668604993 545183715 /nfs/dbraw/zinc/18/37/15/545183715.db2.gz ZGJUTPOXGMEWPQ-JTQLQIEISA-N 1 2 250.302 0.497 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355071858 528616708 /nfs/dbraw/zinc/61/67/08/528616708.db2.gz REKKQUBFBPVAFK-LBPRGKRZSA-N 1 2 297.403 0.198 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355071858 528616714 /nfs/dbraw/zinc/61/67/14/528616714.db2.gz REKKQUBFBPVAFK-LBPRGKRZSA-N 1 2 297.403 0.198 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347386545 528622175 /nfs/dbraw/zinc/62/21/75/528622175.db2.gz YRVAKHIZICSCJK-GXTWGEPZSA-N 1 2 285.363 0.791 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347386545 528622177 /nfs/dbraw/zinc/62/21/77/528622177.db2.gz YRVAKHIZICSCJK-GXTWGEPZSA-N 1 2 285.363 0.791 20 30 CCEDLO COCC#CC[N@H+](C)CC(=O)NCc1cccs1 ZINC000677817088 545373116 /nfs/dbraw/zinc/37/31/16/545373116.db2.gz GYSNPDBRZXRBAH-UHFFFAOYSA-N 1 2 266.366 0.946 20 30 CCEDLO COCC#CC[N@@H+](C)CC(=O)NCc1cccs1 ZINC000677817088 545373117 /nfs/dbraw/zinc/37/31/17/545373117.db2.gz GYSNPDBRZXRBAH-UHFFFAOYSA-N 1 2 266.366 0.946 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000677818890 545373500 /nfs/dbraw/zinc/37/35/00/545373500.db2.gz KTDJJQSMTDTMRI-UHFFFAOYSA-N 1 2 288.347 0.800 20 30 CCEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000677818913 545373665 /nfs/dbraw/zinc/37/36/65/545373665.db2.gz LIKIFSSLZYGUTI-CQSZACIVSA-N 1 2 258.321 0.721 20 30 CCEDLO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000677818913 545373666 /nfs/dbraw/zinc/37/36/66/545373666.db2.gz LIKIFSSLZYGUTI-CQSZACIVSA-N 1 2 258.321 0.721 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000359092443 536146920 /nfs/dbraw/zinc/14/69/20/536146920.db2.gz FUMQAIXSZLYSIT-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000359092443 536146922 /nfs/dbraw/zinc/14/69/22/536146922.db2.gz FUMQAIXSZLYSIT-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000357305154 536359247 /nfs/dbraw/zinc/35/92/47/536359247.db2.gz LYIKGXJGNWMMFS-UHFFFAOYSA-N 1 2 286.339 0.983 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000357305154 536359249 /nfs/dbraw/zinc/35/92/49/536359249.db2.gz LYIKGXJGNWMMFS-UHFFFAOYSA-N 1 2 286.339 0.983 20 30 CCEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000252371875 536421189 /nfs/dbraw/zinc/42/11/89/536421189.db2.gz DWXSDAYRPXAKGC-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000252371875 536421191 /nfs/dbraw/zinc/42/11/91/536421191.db2.gz DWXSDAYRPXAKGC-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000679490721 545410173 /nfs/dbraw/zinc/41/01/73/545410173.db2.gz TXXZQRXKVHOLGJ-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO COCC#CC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000683790013 545564186 /nfs/dbraw/zinc/56/41/86/545564186.db2.gz VLUVKCLENRQTSK-CQSZACIVSA-N 1 2 279.384 0.714 20 30 CCEDLO COCC#CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000683790013 545564189 /nfs/dbraw/zinc/56/41/89/545564189.db2.gz VLUVKCLENRQTSK-CQSZACIVSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000777513466 581118131 /nfs/dbraw/zinc/11/81/31/581118131.db2.gz FYCBRVUVBGEOTQ-UHFFFAOYSA-N 1 2 258.281 0.366 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000777745563 581132199 /nfs/dbraw/zinc/13/21/99/581132199.db2.gz PPFASNWDESFXOE-UHFFFAOYSA-N 1 2 276.311 0.942 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000777745563 581132201 /nfs/dbraw/zinc/13/22/01/581132201.db2.gz PPFASNWDESFXOE-UHFFFAOYSA-N 1 2 276.311 0.942 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC000777860075 581137187 /nfs/dbraw/zinc/13/71/87/581137187.db2.gz KYQGEOFPPONMIR-UHFFFAOYSA-N 1 2 268.320 0.725 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]cc2-c2cnn(C)c2)CC1 ZINC000778824456 581167304 /nfs/dbraw/zinc/16/73/04/581167304.db2.gz HYLKZHYJVZOCHC-UHFFFAOYSA-N 1 2 297.362 0.806 20 30 CCEDLO CC(N=Nc1nccc(N2CCOCC2)n1)c1[nH]cc[nH+]1 ZINC000790166621 581178841 /nfs/dbraw/zinc/17/88/41/581178841.db2.gz OEEVEVJIBLGOIE-UHFFFAOYSA-N 1 2 287.327 0.872 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000779432226 581185296 /nfs/dbraw/zinc/18/52/96/581185296.db2.gz ABRPEEHHLUHXDH-ZDUSSCGKSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000779432226 581185298 /nfs/dbraw/zinc/18/52/98/581185298.db2.gz ABRPEEHHLUHXDH-ZDUSSCGKSA-N 1 2 299.330 0.435 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCc1[nH]cc[nH+]1 ZINC000791219553 581209982 /nfs/dbraw/zinc/20/99/82/581209982.db2.gz BWRGDBIQHQHHJU-UHFFFAOYSA-N 1 2 265.313 0.920 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000780941862 581251142 /nfs/dbraw/zinc/25/11/42/581251142.db2.gz WIZYAECIQAAMNV-LBPRGKRZSA-N 1 2 256.265 0.631 20 30 CCEDLO C=CCN(CCC#N)C(=S)NCC[NH+]1CCOCC1 ZINC000793245484 581289346 /nfs/dbraw/zinc/28/93/46/581289346.db2.gz ALYFWBMOGXOYBJ-UHFFFAOYSA-N 1 2 282.413 0.595 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cncc(F)c2)CC1 ZINC000726974164 581289552 /nfs/dbraw/zinc/28/95/52/581289552.db2.gz RONLKICKZWRGAH-UHFFFAOYSA-N 1 2 297.355 0.550 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)CCC1 ZINC000784335793 581380482 /nfs/dbraw/zinc/38/04/82/581380482.db2.gz BUVMZBDJDFWXPA-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)CCC1 ZINC000784335793 581380483 /nfs/dbraw/zinc/38/04/83/581380483.db2.gz BUVMZBDJDFWXPA-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794863991 581389521 /nfs/dbraw/zinc/38/95/21/581389521.db2.gz JYGCRUFLACMVCC-YJNKXOJESA-N 1 2 286.331 0.942 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794863991 581389524 /nfs/dbraw/zinc/38/95/24/581389524.db2.gz JYGCRUFLACMVCC-YJNKXOJESA-N 1 2 286.331 0.942 20 30 CCEDLO CC(=[NH+]NC1=NC(=O)C(=O)N1)c1ccc(N(C)C)cc1 ZINC000765593029 581527392 /nfs/dbraw/zinc/52/73/92/581527392.db2.gz KKWWUNGECCWTER-UHFFFAOYSA-N 1 2 273.296 0.079 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000753149015 581529590 /nfs/dbraw/zinc/52/95/90/581529590.db2.gz NRFGBBOFJNSFDV-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000753149015 581529592 /nfs/dbraw/zinc/52/95/92/581529592.db2.gz NRFGBBOFJNSFDV-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000753887807 581563352 /nfs/dbraw/zinc/56/33/52/581563352.db2.gz YRGNMMREIOTDQV-NSHDSACASA-N 1 2 288.351 0.923 20 30 CCEDLO CCN(CC)C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506213 581569277 /nfs/dbraw/zinc/56/92/77/581569277.db2.gz KTFRYWNRJPDQSD-CQSZACIVSA-N 1 2 288.351 0.543 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1COC(C)(C)OC1 ZINC000754627457 581600533 /nfs/dbraw/zinc/60/05/33/581600533.db2.gz UHZZKDVQDNMVKR-LBPRGKRZSA-N 1 2 266.341 0.352 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1COC(C)(C)OC1 ZINC000754627457 581600534 /nfs/dbraw/zinc/60/05/34/581600534.db2.gz UHZZKDVQDNMVKR-LBPRGKRZSA-N 1 2 266.341 0.352 20 30 CCEDLO C=CCNC(=S)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000729943256 581625074 /nfs/dbraw/zinc/62/50/74/581625074.db2.gz SNJQGHXLGLGJIX-UHFFFAOYSA-N 1 2 279.413 0.598 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000769963069 581630148 /nfs/dbraw/zinc/63/01/48/581630148.db2.gz QCGLVJDBKMDBJR-JTQLQIEISA-N 1 2 259.309 0.678 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000769963069 581630151 /nfs/dbraw/zinc/63/01/51/581630151.db2.gz QCGLVJDBKMDBJR-JTQLQIEISA-N 1 2 259.309 0.678 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000770237706 581641498 /nfs/dbraw/zinc/64/14/98/581641498.db2.gz AAENTQWRWJPUCC-UHFFFAOYSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000770237706 581641499 /nfs/dbraw/zinc/64/14/99/581641499.db2.gz AAENTQWRWJPUCC-UHFFFAOYSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000756994892 581689133 /nfs/dbraw/zinc/68/91/33/581689133.db2.gz FKOMTQDTIMTSSN-LBPRGKRZSA-N 1 2 272.352 0.292 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc2ccnn21 ZINC000736141675 581706190 /nfs/dbraw/zinc/70/61/90/581706190.db2.gz KNWZWVVGLDMERJ-NSHDSACASA-N 1 2 269.308 0.765 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc2ccnn21 ZINC000736141675 581706194 /nfs/dbraw/zinc/70/61/94/581706194.db2.gz KNWZWVVGLDMERJ-NSHDSACASA-N 1 2 269.308 0.765 20 30 CCEDLO C=C(C)CNC(=S)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769794668 581706548 /nfs/dbraw/zinc/70/65/48/581706548.db2.gz PYILELQKQUMTMX-WDEREUQCSA-N 1 2 257.403 0.746 20 30 CCEDLO C=C(C)CNC(=S)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769794668 581706549 /nfs/dbraw/zinc/70/65/49/581706549.db2.gz PYILELQKQUMTMX-WDEREUQCSA-N 1 2 257.403 0.746 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000733162798 581868112 /nfs/dbraw/zinc/86/81/12/581868112.db2.gz UTRQMKMDLMSRRI-UHFFFAOYSA-N 1 2 268.320 0.954 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2=C(C)C(C)(C)OC2=O)CC1 ZINC000733161356 581868569 /nfs/dbraw/zinc/86/85/69/581868569.db2.gz RATRYPCQXJNFAA-UHFFFAOYSA-N 1 2 276.336 0.416 20 30 CCEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1CCCO1 ZINC000773316559 581921670 /nfs/dbraw/zinc/92/16/70/581921670.db2.gz WJVPFHSGJKALEN-QWRGUYRKSA-N 1 2 262.313 0.400 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000747255773 581936268 /nfs/dbraw/zinc/93/62/68/581936268.db2.gz FSMUAWQWBJZUMO-UHFFFAOYSA-N 1 2 296.396 0.233 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000748342714 581969533 /nfs/dbraw/zinc/96/95/33/581969533.db2.gz PZHYGWMENGBXOW-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNCC(C)(C)S(C)(=O)=O ZINC000774477495 581975831 /nfs/dbraw/zinc/97/58/31/581975831.db2.gz MUOXKOZQONOARL-JTQLQIEISA-N 1 2 287.429 0.869 20 30 CCEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNCC(C)(C)S(C)(=O)=O ZINC000774477495 581975834 /nfs/dbraw/zinc/97/58/34/581975834.db2.gz MUOXKOZQONOARL-JTQLQIEISA-N 1 2 287.429 0.869 20 30 CCEDLO C#CCCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000763027675 581978514 /nfs/dbraw/zinc/97/85/14/581978514.db2.gz HFGHXNWGIASLLI-GFCCVEGCSA-N 1 2 277.324 0.735 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000749446378 582009095 /nfs/dbraw/zinc/00/90/95/582009095.db2.gz QTFNDUUBQVXORI-LBPRGKRZSA-N 1 2 289.335 0.848 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000749446378 582009096 /nfs/dbraw/zinc/00/90/96/582009096.db2.gz QTFNDUUBQVXORI-LBPRGKRZSA-N 1 2 289.335 0.848 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000775099829 582011446 /nfs/dbraw/zinc/01/14/46/582011446.db2.gz OSYPMFSAVFECQR-UHFFFAOYSA-N 1 2 264.329 0.422 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC2(C1)OCCO2)C1CC1 ZINC000749571158 582013363 /nfs/dbraw/zinc/01/33/63/582013363.db2.gz GZFQVCNLPBDQSW-AWEZNQCLSA-N 1 2 293.367 0.634 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC2(C1)OCCO2)C1CC1 ZINC000749571158 582013365 /nfs/dbraw/zinc/01/33/65/582013365.db2.gz GZFQVCNLPBDQSW-AWEZNQCLSA-N 1 2 293.367 0.634 20 30 CCEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCCO1 ZINC000775340916 582019644 /nfs/dbraw/zinc/01/96/44/582019644.db2.gz NEMXFELTKSVGPO-AAEUAGOBSA-N 1 2 297.318 0.573 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCCO1 ZINC000775790244 582038340 /nfs/dbraw/zinc/03/83/40/582038340.db2.gz HILAGYDGWHYLBR-VXGBXAGGSA-N 1 2 272.308 0.293 20 30 CCEDLO C[C@@H](C(=O)Nc1cnn(CC#N)c1)[NH+]1CCSCC1 ZINC000750854570 582061182 /nfs/dbraw/zinc/06/11/82/582061182.db2.gz QFMAPEDKZYQPBZ-JTQLQIEISA-N 1 2 279.369 0.782 20 30 CCEDLO CC(C)(C)[C@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000764947279 582077615 /nfs/dbraw/zinc/07/76/15/582077615.db2.gz LSSGVUXNYAAYSE-CYBMUJFWSA-N 1 2 297.399 0.468 20 30 CCEDLO CS/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000751463339 582081810 /nfs/dbraw/zinc/08/18/10/582081810.db2.gz LQGGQDBTFUHZFP-BASWHVEKSA-N 1 2 283.397 0.938 20 30 CCEDLO C=C(CC)C[NH+]1CCN(C(=O)C(OC)OC)CC1 ZINC000930955681 613363196 /nfs/dbraw/zinc/36/31/96/613363196.db2.gz KMQGPSTXBSBFAO-UHFFFAOYSA-N 1 2 256.346 0.716 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933769664 617017071 /nfs/dbraw/zinc/01/70/71/617017071.db2.gz BTUQQSNAWBWIPS-UHFFFAOYSA-N 1 2 273.383 0.601 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769664 617017076 /nfs/dbraw/zinc/01/70/76/617017076.db2.gz BTUQQSNAWBWIPS-UHFFFAOYSA-N 1 2 273.383 0.601 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852711336 612948421 /nfs/dbraw/zinc/94/84/21/612948421.db2.gz FDFBCWJYLNVMKM-RNCFNFMXSA-N 1 2 282.290 0.726 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858154944 613021365 /nfs/dbraw/zinc/02/13/65/613021365.db2.gz WNOKISXYUNBKJS-STQMWFEESA-N 1 2 278.356 0.999 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000124031387 617179811 /nfs/dbraw/zinc/17/98/11/617179811.db2.gz VQCUFGOAUJSZPE-HIFRSBDPSA-N 1 2 272.348 0.873 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124031387 617179812 /nfs/dbraw/zinc/17/98/12/617179812.db2.gz VQCUFGOAUJSZPE-HIFRSBDPSA-N 1 2 272.348 0.873 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(CCC=C)nn2)CC1 ZINC000895385644 612952437 /nfs/dbraw/zinc/95/24/37/612952437.db2.gz HGBPMXFCOLZZHK-UHFFFAOYSA-N 1 2 260.341 0.814 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000931151877 612953086 /nfs/dbraw/zinc/95/30/86/612953086.db2.gz YLAYYCZEYYOQLN-SNVBAGLBSA-N 1 2 278.308 0.982 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000848493966 613105969 /nfs/dbraw/zinc/10/59/69/613105969.db2.gz SFOLBBIXTAFTDI-LLVKDONJSA-N 1 2 277.324 0.488 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000848493966 613105970 /nfs/dbraw/zinc/10/59/70/613105970.db2.gz SFOLBBIXTAFTDI-LLVKDONJSA-N 1 2 277.324 0.488 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865781 612979610 /nfs/dbraw/zinc/97/96/10/612979610.db2.gz IWISIWPGQLFSLF-BETUJISGSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865781 612979612 /nfs/dbraw/zinc/97/96/12/612979612.db2.gz IWISIWPGQLFSLF-BETUJISGSA-N 1 2 266.341 0.006 20 30 CCEDLO COc1cccc(C[NH2+][C@H]2CCCN(O)C2=O)n1 ZINC000895162114 617300313 /nfs/dbraw/zinc/30/03/13/617300313.db2.gz WWNBJLSHVVYUJG-JTQLQIEISA-N 1 2 251.286 0.560 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000814654422 617297217 /nfs/dbraw/zinc/29/72/17/617297217.db2.gz CIYCOTZUVWYPJZ-NSHDSACASA-N 1 2 297.380 0.694 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000814654422 617297219 /nfs/dbraw/zinc/29/72/19/617297219.db2.gz CIYCOTZUVWYPJZ-NSHDSACASA-N 1 2 297.380 0.694 20 30 CCEDLO C#CCCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000806911292 612980563 /nfs/dbraw/zinc/98/05/63/612980563.db2.gz WQKXXIQMTZSUJL-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000806911292 612980564 /nfs/dbraw/zinc/98/05/64/612980564.db2.gz WQKXXIQMTZSUJL-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853800227 612981895 /nfs/dbraw/zinc/98/18/95/612981895.db2.gz UDTZBWSEAWUPAL-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853800227 612981896 /nfs/dbraw/zinc/98/18/96/612981896.db2.gz UDTZBWSEAWUPAL-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1C ZINC000908531072 612985919 /nfs/dbraw/zinc/98/59/19/612985919.db2.gz ADZQNRZEHZOMIZ-UHFFFAOYSA-N 1 2 271.368 0.526 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000853619525 612989359 /nfs/dbraw/zinc/98/93/59/612989359.db2.gz FMRCCWDGJQVXTQ-OKILXGFUSA-N 1 2 290.363 0.867 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000853619525 612989361 /nfs/dbraw/zinc/98/93/61/612989361.db2.gz FMRCCWDGJQVXTQ-OKILXGFUSA-N 1 2 290.363 0.867 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000852212569 612989880 /nfs/dbraw/zinc/98/98/80/612989880.db2.gz CDGLDUXZMUMZMD-RDBSUJKOSA-N 1 2 283.368 0.973 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CCC=C)nn2)CC1 ZINC000819209255 613010996 /nfs/dbraw/zinc/01/09/96/613010996.db2.gz WFEIYPVBUYWXTR-UHFFFAOYSA-N 1 2 287.367 0.635 20 30 CCEDLO C#CCSCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844133741 613017936 /nfs/dbraw/zinc/01/79/36/613017936.db2.gz BIFHHXBGFZFEBF-NSHDSACASA-N 1 2 263.366 0.928 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000862566104 613046520 /nfs/dbraw/zinc/04/65/20/613046520.db2.gz IBSBEWZZABPSQV-UONOGXRCSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000859219748 613050266 /nfs/dbraw/zinc/05/02/66/613050266.db2.gz HAAVATROLXIEMO-NWDGAFQWSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000859219748 613050267 /nfs/dbraw/zinc/05/02/67/613050267.db2.gz HAAVATROLXIEMO-NWDGAFQWSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000863783861 613052176 /nfs/dbraw/zinc/05/21/76/613052176.db2.gz VQRMSQALCPQVTL-CHWSQXEVSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000922927309 613055104 /nfs/dbraw/zinc/05/51/04/613055104.db2.gz FVYZDRCQJRZNQW-CYBMUJFWSA-N 1 2 261.325 0.882 20 30 CCEDLO C#C[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907491278 613082429 /nfs/dbraw/zinc/08/24/29/613082429.db2.gz JVKCYXYAKHFKLX-CYBMUJFWSA-N 1 2 275.352 0.572 20 30 CCEDLO C#CC[NH+](CC#C)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823844731 613099008 /nfs/dbraw/zinc/09/90/08/613099008.db2.gz HOZXWLWGJPVADG-UHFFFAOYSA-N 1 2 257.322 0.997 20 30 CCEDLO C#CCN(CC#CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900857138 613099533 /nfs/dbraw/zinc/09/95/33/613099533.db2.gz VAXJLPKIRIFPJZ-FYWRMAATSA-N 1 2 274.364 0.750 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929720687 613100386 /nfs/dbraw/zinc/10/03/86/613100386.db2.gz RLUYTSXWLHKPGM-AWEZNQCLSA-N 1 2 270.336 0.524 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929720687 613100387 /nfs/dbraw/zinc/10/03/87/613100387.db2.gz RLUYTSXWLHKPGM-AWEZNQCLSA-N 1 2 270.336 0.524 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851785649 613100508 /nfs/dbraw/zinc/10/05/08/613100508.db2.gz RSWQXDBHAGXPKZ-MRXNPFEDSA-N 1 2 270.332 0.318 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851785649 613100509 /nfs/dbraw/zinc/10/05/09/613100509.db2.gz RSWQXDBHAGXPKZ-MRXNPFEDSA-N 1 2 270.332 0.318 20 30 CCEDLO C#CC[N@H+](Cc1coc(S(N)(=O)=O)c1)C(C)C ZINC000932384575 613109147 /nfs/dbraw/zinc/10/91/47/613109147.db2.gz UZQZHQUSCSUKNL-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CC[N@@H+](Cc1coc(S(N)(=O)=O)c1)C(C)C ZINC000932384575 613109148 /nfs/dbraw/zinc/10/91/48/613109148.db2.gz UZQZHQUSCSUKNL-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000951729136 613111153 /nfs/dbraw/zinc/11/11/53/613111153.db2.gz BBZHBYAARJRAMX-ZDUSSCGKSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000950658695 613111188 /nfs/dbraw/zinc/11/11/88/613111188.db2.gz UUBRRROQPOVBHT-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000950658464 613111199 /nfs/dbraw/zinc/11/11/99/613111199.db2.gz MYBWSAZCEJWARG-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000941275178 613114548 /nfs/dbraw/zinc/11/45/48/613114548.db2.gz VIAJHOKETPTEOP-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3C[C@H]3C)CC2)C1 ZINC000941549683 613115066 /nfs/dbraw/zinc/11/50/66/613115066.db2.gz DMDSUIHJXWMNJC-ZIAGYGMSSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3C)CC2)C1 ZINC000941336977 613116086 /nfs/dbraw/zinc/11/60/86/613116086.db2.gz IRUGGXOOQRUAJP-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823314718 613128402 /nfs/dbraw/zinc/12/84/02/613128402.db2.gz KPGYLHDFZCLDCL-UKRRQHHQSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823314718 613128403 /nfs/dbraw/zinc/12/84/03/613128403.db2.gz KPGYLHDFZCLDCL-UKRRQHHQSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000867499695 613131399 /nfs/dbraw/zinc/13/13/99/613131399.db2.gz OFXMOYAWPHXWCG-VTUYONSCSA-N 1 2 278.352 0.172 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(C)(C)OC)CC1 ZINC000798617190 613132080 /nfs/dbraw/zinc/13/20/80/613132080.db2.gz ZEPXNUGYPQMBPW-UHFFFAOYSA-N 1 2 281.352 0.869 20 30 CCEDLO C=C(Br)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000881429350 613239105 /nfs/dbraw/zinc/23/91/05/613239105.db2.gz MUYAKJBMXBYCHX-UHFFFAOYSA-N 1 2 275.150 0.611 20 30 CCEDLO C=C(Br)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000881429350 613239108 /nfs/dbraw/zinc/23/91/08/613239108.db2.gz MUYAKJBMXBYCHX-UHFFFAOYSA-N 1 2 275.150 0.611 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000912734816 613169699 /nfs/dbraw/zinc/16/96/99/613169699.db2.gz PHHPWNGEYPIHNL-CQSZACIVSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000912734816 613169701 /nfs/dbraw/zinc/16/97/01/613169701.db2.gz PHHPWNGEYPIHNL-CQSZACIVSA-N 1 2 258.321 0.416 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000923561460 613174913 /nfs/dbraw/zinc/17/49/13/613174913.db2.gz YQPDHWRMVLXUQV-GFCCVEGCSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000923561460 613174916 /nfs/dbraw/zinc/17/49/16/613174916.db2.gz YQPDHWRMVLXUQV-GFCCVEGCSA-N 1 2 259.309 0.615 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000855409689 613178121 /nfs/dbraw/zinc/17/81/21/613178121.db2.gz GLLNNFSYSDWFSS-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000855409689 613178122 /nfs/dbraw/zinc/17/81/22/613178122.db2.gz GLLNNFSYSDWFSS-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(CC)n2)C1 ZINC000889112030 613186323 /nfs/dbraw/zinc/18/63/23/613186323.db2.gz WZYSWEDYLCRPAZ-NSHDSACASA-N 1 2 290.371 0.264 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(CC)n2)C1 ZINC000889112030 613186324 /nfs/dbraw/zinc/18/63/24/613186324.db2.gz WZYSWEDYLCRPAZ-NSHDSACASA-N 1 2 290.371 0.264 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555392 613189949 /nfs/dbraw/zinc/18/99/49/613189949.db2.gz PMXYCJYROZPRNP-IGQOVBAYSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555392 613189952 /nfs/dbraw/zinc/18/99/52/613189952.db2.gz PMXYCJYROZPRNP-IGQOVBAYSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C=O)n(C)c2)C1 ZINC000829582687 613191214 /nfs/dbraw/zinc/19/12/14/613191214.db2.gz PWCIXLSZVNIZJY-ZDUSSCGKSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C=O)n(C)c2)C1 ZINC000829582687 613191216 /nfs/dbraw/zinc/19/12/16/613191216.db2.gz PWCIXLSZVNIZJY-ZDUSSCGKSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C1CCCC1 ZINC000812376010 613201784 /nfs/dbraw/zinc/20/17/84/613201784.db2.gz LMXAOOYKBURXIC-KGLIPLIRSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C1CCCC1 ZINC000812376010 613201787 /nfs/dbraw/zinc/20/17/87/613201787.db2.gz LMXAOOYKBURXIC-KGLIPLIRSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H]([C@H]3CCCO3)CC2=O)CC1 ZINC000902040393 613209393 /nfs/dbraw/zinc/20/93/93/613209393.db2.gz CRQFGZQATOBICI-HUUCEWRRSA-N 1 2 291.395 0.222 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnn3)n2CC)CC1 ZINC000908844832 613209880 /nfs/dbraw/zinc/20/98/80/613209880.db2.gz QLGVOVYUBQPJAH-UHFFFAOYSA-N 1 2 297.366 0.510 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395775 613211132 /nfs/dbraw/zinc/21/11/32/613211132.db2.gz HVOAKGWTVNXQHC-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395775 613211133 /nfs/dbraw/zinc/21/11/33/613211133.db2.gz HVOAKGWTVNXQHC-HNNXBMFYSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000972332945 613212147 /nfs/dbraw/zinc/21/21/47/613212147.db2.gz ODAWPRVCUPEYKU-CQSZACIVSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000972332945 613212149 /nfs/dbraw/zinc/21/21/49/613212149.db2.gz ODAWPRVCUPEYKU-CQSZACIVSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972502133 613212232 /nfs/dbraw/zinc/21/22/32/613212232.db2.gz MCNAYUCOGNVZNI-GXTWGEPZSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972502133 613212234 /nfs/dbraw/zinc/21/22/34/613212234.db2.gz MCNAYUCOGNVZNI-GXTWGEPZSA-N 1 2 268.332 0.671 20 30 CCEDLO C/C(=C/C(=O)N1CC(CC#N)C1)C[NH+]1CCOCC1 ZINC000912399178 613228589 /nfs/dbraw/zinc/22/85/89/613228589.db2.gz SWRQKRFDCXNLKZ-WQLSENKSSA-N 1 2 263.341 0.637 20 30 CCEDLO C/C(=C/C(=O)N1CCO[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000900604105 613231706 /nfs/dbraw/zinc/23/17/06/613231706.db2.gz AKRPDMXFQVLLMZ-LLBKUYECSA-N 1 2 279.340 0.016 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844403309 613236048 /nfs/dbraw/zinc/23/60/48/613236048.db2.gz XRBKNBSERHDHCU-RKDXNWHRSA-N 1 2 250.136 0.977 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844403309 613236050 /nfs/dbraw/zinc/23/60/50/613236050.db2.gz XRBKNBSERHDHCU-RKDXNWHRSA-N 1 2 250.136 0.977 20 30 CCEDLO C/C(=C\C(=O)N(CC#N)C1CC1)C[NH+]1CCOCC1 ZINC000900361108 613248629 /nfs/dbraw/zinc/24/86/29/613248629.db2.gz YZVOTVJLPWRNAQ-ZRDIBKRKSA-N 1 2 263.341 0.779 20 30 CCEDLO C=C(C)C[N@H+](C)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000857240936 613282761 /nfs/dbraw/zinc/28/27/61/613282761.db2.gz OZBZXKDFCJIWEA-LBPRGKRZSA-N 1 2 268.357 0.452 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000857240936 613282763 /nfs/dbraw/zinc/28/27/63/613282763.db2.gz OZBZXKDFCJIWEA-LBPRGKRZSA-N 1 2 268.357 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974481372 613285101 /nfs/dbraw/zinc/28/51/01/613285101.db2.gz WKBSMFHYJHHWCH-GFCCVEGCSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974481372 613285102 /nfs/dbraw/zinc/28/51/02/613285102.db2.gz WKBSMFHYJHHWCH-GFCCVEGCSA-N 1 2 273.336 0.861 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000951190381 613295451 /nfs/dbraw/zinc/29/54/51/613295451.db2.gz KVVWTRNWUAOJQU-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000832653999 613327929 /nfs/dbraw/zinc/32/79/29/613327929.db2.gz JCVCREGNNVFLNK-UHFFFAOYSA-N 1 2 290.363 0.629 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCO)Cc1cccc(OCC)c1 ZINC000832653999 613327931 /nfs/dbraw/zinc/32/79/31/613327931.db2.gz JCVCREGNNVFLNK-UHFFFAOYSA-N 1 2 290.363 0.629 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934641694 613329878 /nfs/dbraw/zinc/32/98/78/613329878.db2.gz IFELVYAZXCXGGG-AWEZNQCLSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934641694 613329881 /nfs/dbraw/zinc/32/98/81/613329881.db2.gz IFELVYAZXCXGGG-AWEZNQCLSA-N 1 2 280.368 0.253 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925608976 613354892 /nfs/dbraw/zinc/35/48/92/613354892.db2.gz MSNCBJYWRNLQPL-KGLIPLIRSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056781 613357431 /nfs/dbraw/zinc/35/74/31/613357431.db2.gz VZNHFIMNNCIBQK-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977178 613359448 /nfs/dbraw/zinc/35/94/48/613359448.db2.gz SUUGNXSGLVUBDR-RYUDHWBXSA-N 1 2 276.340 0.915 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000969883983 613371564 /nfs/dbraw/zinc/37/15/64/613371564.db2.gz LMUGUESSPXYVRA-ZYHUDNBSSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000980685177 613373486 /nfs/dbraw/zinc/37/34/86/613373486.db2.gz OKZOVAHGNKTCIE-UHFFFAOYSA-N 1 2 299.802 0.896 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCCC2=O)CC1 ZINC000980685177 613373487 /nfs/dbraw/zinc/37/34/87/613373487.db2.gz OKZOVAHGNKTCIE-UHFFFAOYSA-N 1 2 299.802 0.896 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974908694 613379805 /nfs/dbraw/zinc/37/98/05/613379805.db2.gz BXCNGTVZGAWXBE-WDEREUQCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974908694 613379806 /nfs/dbraw/zinc/37/98/06/613379806.db2.gz BXCNGTVZGAWXBE-WDEREUQCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957835555 613380195 /nfs/dbraw/zinc/38/01/95/613380195.db2.gz YBYNTLCSRQGBHT-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957835555 613380196 /nfs/dbraw/zinc/38/01/96/613380196.db2.gz YBYNTLCSRQGBHT-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999919 613380676 /nfs/dbraw/zinc/38/06/76/613380676.db2.gz PUGRKJQABTYGEJ-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999919 613380677 /nfs/dbraw/zinc/38/06/77/613380677.db2.gz PUGRKJQABTYGEJ-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000881426433 613391169 /nfs/dbraw/zinc/39/11/69/613391169.db2.gz GYPDKPJSWWKEEW-SECBINFHSA-N 1 2 290.776 0.307 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CC1 ZINC000970375359 613409603 /nfs/dbraw/zinc/40/96/03/613409603.db2.gz FSTZPOCZMOILQM-NSHDSACASA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCN1CCOCC1 ZINC000878048043 613409953 /nfs/dbraw/zinc/40/99/53/613409953.db2.gz NOGYZAPPIDAJIM-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCN1CCOCC1 ZINC000878048043 613409954 /nfs/dbraw/zinc/40/99/54/613409954.db2.gz NOGYZAPPIDAJIM-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878265725 613410959 /nfs/dbraw/zinc/41/09/59/613410959.db2.gz QNKZMJWHZIMAHA-GHMZBOCLSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878265725 613410963 /nfs/dbraw/zinc/41/09/63/613410963.db2.gz QNKZMJWHZIMAHA-GHMZBOCLSA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878689360 613411197 /nfs/dbraw/zinc/41/11/97/613411197.db2.gz GZYMWBOREICREM-NWDGAFQWSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878689360 613411199 /nfs/dbraw/zinc/41/11/99/613411199.db2.gz GZYMWBOREICREM-NWDGAFQWSA-N 1 2 283.372 0.840 20 30 CCEDLO C=C1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000892867938 613414695 /nfs/dbraw/zinc/41/46/95/613414695.db2.gz BFISCOXHWAOCPC-AWEZNQCLSA-N 1 2 280.416 0.984 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CCOC)C2)nn1 ZINC000952425698 613425020 /nfs/dbraw/zinc/42/50/20/613425020.db2.gz WCBPJVWFIRKNDR-UHFFFAOYSA-N 1 2 293.371 0.257 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](CCF)C2)nn1 ZINC000970544057 613429344 /nfs/dbraw/zinc/42/93/44/613429344.db2.gz FSODFAJKTOQWAF-JTQLQIEISA-N 1 2 281.335 0.484 20 30 CCEDLO C=CCn1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000896907824 613429509 /nfs/dbraw/zinc/42/95/09/613429509.db2.gz RTMCVXCOFTURPS-UHFFFAOYSA-N 1 2 260.301 0.734 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC000956598176 613433841 /nfs/dbraw/zinc/43/38/41/613433841.db2.gz APBQQKHGRNFASR-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875700939 613445981 /nfs/dbraw/zinc/44/59/81/613445981.db2.gz SSYQEHMUOORYQE-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875700939 613445982 /nfs/dbraw/zinc/44/59/82/613445982.db2.gz SSYQEHMUOORYQE-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CCC1(O)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000884196738 613458217 /nfs/dbraw/zinc/45/82/17/613458217.db2.gz ZSKVENVPBIZISP-UHFFFAOYSA-N 1 2 278.356 0.996 20 30 CCEDLO C=CCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069693 613462445 /nfs/dbraw/zinc/46/24/45/613462445.db2.gz BKLGYUIPJTYGHQ-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928647615 613478904 /nfs/dbraw/zinc/47/89/04/613478904.db2.gz QRGVJFCHNVXINX-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933579703 613482100 /nfs/dbraw/zinc/48/21/00/613482100.db2.gz IHTWOPBWHXRLDK-GFCCVEGCSA-N 1 2 281.356 0.451 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000845616534 613486306 /nfs/dbraw/zinc/48/63/06/613486306.db2.gz KOVGPVQEVPKBMV-AVGNSLFASA-N 1 2 283.372 0.997 20 30 CCEDLO C=CCC[N@H+]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC000981456442 613493641 /nfs/dbraw/zinc/49/36/41/613493641.db2.gz BBTHXWNAQKBSCG-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC000981456442 613493642 /nfs/dbraw/zinc/49/36/42/613493642.db2.gz BBTHXWNAQKBSCG-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000981872940 613501676 /nfs/dbraw/zinc/50/16/76/613501676.db2.gz FASXWGOYWNELNA-OAHLLOKOSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000981872940 613501677 /nfs/dbraw/zinc/50/16/77/613501677.db2.gz FASXWGOYWNELNA-OAHLLOKOSA-N 1 2 281.400 0.869 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000941646462 613529175 /nfs/dbraw/zinc/52/91/75/613529175.db2.gz BEXMNVLVTZZDQV-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000941285250 613529826 /nfs/dbraw/zinc/52/98/26/613529826.db2.gz LLRLPLFDZSJQRO-UHFFFAOYSA-N 1 2 298.390 0.547 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392531 613571091 /nfs/dbraw/zinc/57/10/91/613571091.db2.gz YAMAUAQWYCNFLJ-MRXNPFEDSA-N 1 2 287.363 0.955 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392531 613571095 /nfs/dbraw/zinc/57/10/95/613571095.db2.gz YAMAUAQWYCNFLJ-MRXNPFEDSA-N 1 2 287.363 0.955 20 30 CCEDLO C=CCCOCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870070457 613571381 /nfs/dbraw/zinc/57/13/81/613571381.db2.gz VBCYUCMUZDDQFX-CQSZACIVSA-N 1 2 298.383 0.139 20 30 CCEDLO C=CCCn1cc(COC(=O)[C@H]2C[N@H+](CC)CCO2)nn1 ZINC000848726221 613600368 /nfs/dbraw/zinc/60/03/68/613600368.db2.gz MXBXVJPSBNTOMI-CYBMUJFWSA-N 1 2 294.355 0.618 20 30 CCEDLO C=CCCn1cc(COC(=O)[C@H]2C[N@@H+](CC)CCO2)nn1 ZINC000848726221 613600370 /nfs/dbraw/zinc/60/03/70/613600370.db2.gz MXBXVJPSBNTOMI-CYBMUJFWSA-N 1 2 294.355 0.618 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000839248150 613602074 /nfs/dbraw/zinc/60/20/74/613602074.db2.gz OPHPEQVMHNUKPD-UHFFFAOYSA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)Cc1c[nH+]cn1C ZINC000776356328 613644066 /nfs/dbraw/zinc/64/40/66/613644066.db2.gz ACDSMRYHLZKNES-UHFFFAOYSA-N 1 2 265.313 0.540 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2C(=O)OCC2(C)C)nn1 ZINC000905066282 613645117 /nfs/dbraw/zinc/64/51/17/613645117.db2.gz XFWLHKONQHEZTD-NSHDSACASA-N 1 2 262.313 0.515 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC000951125784 613654336 /nfs/dbraw/zinc/65/43/36/613654336.db2.gz DRYBSMKTTXNPGW-NWDGAFQWSA-N 1 2 265.357 0.217 20 30 CCEDLO CC(=[NH+]N[C@H]1CCS(=O)(=O)C1)c1csc(N)n1 ZINC000812368871 613657185 /nfs/dbraw/zinc/65/71/85/613657185.db2.gz CFBRLTJAFOMMGM-ZETCQYMHSA-N 1 2 274.371 0.226 20 30 CCEDLO CC(=[NH+]N[C@H]1CCCS(=O)(=O)C1)c1csc(N)n1 ZINC000863129389 613657201 /nfs/dbraw/zinc/65/72/01/613657201.db2.gz LIFPLRPSZOZXPG-QMMMGPOBSA-N 1 2 288.398 0.616 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000970085035 613663255 /nfs/dbraw/zinc/66/32/55/613663255.db2.gz ZNVCPZUPTKHUJR-MNOVXSKESA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000949424274 613711687 /nfs/dbraw/zinc/71/16/87/613711687.db2.gz PIZAFJCCRCUCAS-CYBMUJFWSA-N 1 2 289.383 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cncn3)n2)CC1 ZINC000956958058 613716691 /nfs/dbraw/zinc/71/66/91/613716691.db2.gz IMLZUZYQIFCYBS-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000949002331 613718333 /nfs/dbraw/zinc/71/83/33/613718333.db2.gz QTUVVPSIDFZRRT-UHFFFAOYSA-N 1 2 287.323 0.607 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)C1=O ZINC000840080336 613721911 /nfs/dbraw/zinc/72/19/11/613721911.db2.gz WBLNPROLESKSAC-GDNZZTSVSA-N 1 2 279.340 0.218 20 30 CCEDLO C=CCN1CCN(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)C1=O ZINC000840080336 613721912 /nfs/dbraw/zinc/72/19/12/613721912.db2.gz WBLNPROLESKSAC-GDNZZTSVSA-N 1 2 279.340 0.218 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972372823 613727476 /nfs/dbraw/zinc/72/74/76/613727476.db2.gz DSWDCTAXWYAVCL-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972372823 613727477 /nfs/dbraw/zinc/72/74/77/613727477.db2.gz DSWDCTAXWYAVCL-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880304631 613846027 /nfs/dbraw/zinc/84/60/27/613846027.db2.gz PMDKXSCFXWINQX-JTQLQIEISA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880304631 613846028 /nfs/dbraw/zinc/84/60/28/613846028.db2.gz PMDKXSCFXWINQX-JTQLQIEISA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933264328 613849892 /nfs/dbraw/zinc/84/98/92/613849892.db2.gz WJEGGJHWKOFIET-UHFFFAOYSA-N 1 2 291.355 0.273 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481165 613855259 /nfs/dbraw/zinc/85/52/59/613855259.db2.gz VKAJDGGWUIECAD-HZMBPMFUSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481165 613855260 /nfs/dbraw/zinc/85/52/60/613855260.db2.gz VKAJDGGWUIECAD-HZMBPMFUSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCC(OC)CC1 ZINC000884138540 613877171 /nfs/dbraw/zinc/87/71/71/613877171.db2.gz RSLSWLSTKFBOSY-BPCQOVAHSA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC2(CCCC2)C1 ZINC000884377764 613877857 /nfs/dbraw/zinc/87/78/57/613877857.db2.gz VGWIRLLORLPHMK-LBPRGKRZSA-N 1 2 296.367 0.605 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000884314077 613877875 /nfs/dbraw/zinc/87/78/75/613877875.db2.gz YNRBEKRGMZEFFY-UTUOFQBUSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@@H]1C ZINC000884151573 613878008 /nfs/dbraw/zinc/87/80/08/613878008.db2.gz PQOBYCHDJUKZKL-VWYCJHECSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)OC[C@@H]1C ZINC000884383411 613878071 /nfs/dbraw/zinc/87/80/71/613878071.db2.gz JJSBXNVTQPETMA-SRVKXCTJSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1=CCCC1 ZINC000884414200 613878277 /nfs/dbraw/zinc/87/82/77/613878277.db2.gz MLABTNMVGYSMDS-NSHDSACASA-N 1 2 252.314 0.660 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C(C)C)C1CC1 ZINC000884413753 613878732 /nfs/dbraw/zinc/87/87/32/613878732.db2.gz CSAKVMLNJRJMBD-WCQYABFASA-N 1 2 268.357 0.984 20 30 CCEDLO C=CCOc1cccnc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546126 613884806 /nfs/dbraw/zinc/88/48/06/613884806.db2.gz IJMNDFMOKVHYDI-GFCCVEGCSA-N 1 2 291.351 0.395 20 30 CCEDLO C=CCOc1cccnc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546126 613884807 /nfs/dbraw/zinc/88/48/07/613884807.db2.gz IJMNDFMOKVHYDI-GFCCVEGCSA-N 1 2 291.351 0.395 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844474167 613885017 /nfs/dbraw/zinc/88/50/17/613885017.db2.gz QNLBSZOQHVBSNT-NSHDSACASA-N 1 2 285.369 0.551 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880484721 614286011 /nfs/dbraw/zinc/28/60/11/614286011.db2.gz UEFBXCPSWCLCHD-YPMHNXCESA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880484721 614286016 /nfs/dbraw/zinc/28/60/16/614286016.db2.gz UEFBXCPSWCLCHD-YPMHNXCESA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880484718 614286022 /nfs/dbraw/zinc/28/60/22/614286022.db2.gz UEFBXCPSWCLCHD-AAEUAGOBSA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880484718 614286023 /nfs/dbraw/zinc/28/60/23/614286023.db2.gz UEFBXCPSWCLCHD-AAEUAGOBSA-N 1 2 251.330 0.274 20 30 CCEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@H](C)O)C1 ZINC000949854501 614708227 /nfs/dbraw/zinc/70/82/27/614708227.db2.gz PWGYGKQHBKCPOO-JTQLQIEISA-N 1 2 276.340 0.413 20 30 CCEDLO CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933656514 615056871 /nfs/dbraw/zinc/05/68/71/615056871.db2.gz KQVSIGSWUBHDEL-UHFFFAOYSA-N 1 2 295.339 0.170 20 30 CCEDLO CC[C@@H](C#N)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900472874 615366435 /nfs/dbraw/zinc/36/64/35/615366435.db2.gz YWKXVWFCHRKZDV-KGTBHZDVSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#CC(C)C ZINC000874711457 615566803 /nfs/dbraw/zinc/56/68/03/615566803.db2.gz PPJVBRZINFMRKW-CYBMUJFWSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#CC(C)C ZINC000874711457 615566804 /nfs/dbraw/zinc/56/68/04/615566804.db2.gz PPJVBRZINFMRKW-CYBMUJFWSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000874703508 615569052 /nfs/dbraw/zinc/56/90/52/615569052.db2.gz WEYJKXRYPCEFOQ-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cn1 ZINC000874703508 615569053 /nfs/dbraw/zinc/56/90/53/615569053.db2.gz WEYJKXRYPCEFOQ-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000913543005 615660110 /nfs/dbraw/zinc/66/01/10/615660110.db2.gz XAWRSPDGTLJRBB-MRXNPFEDSA-N 1 2 286.375 0.735 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000913543005 615660111 /nfs/dbraw/zinc/66/01/11/615660111.db2.gz XAWRSPDGTLJRBB-MRXNPFEDSA-N 1 2 286.375 0.735 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000913543004 615660244 /nfs/dbraw/zinc/66/02/44/615660244.db2.gz XAWRSPDGTLJRBB-INIZCTEOSA-N 1 2 286.375 0.735 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000913543004 615660246 /nfs/dbraw/zinc/66/02/46/615660246.db2.gz XAWRSPDGTLJRBB-INIZCTEOSA-N 1 2 286.375 0.735 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCC#N ZINC000875481186 615925109 /nfs/dbraw/zinc/92/51/09/615925109.db2.gz HIYICIPZJFGYFB-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCC#N ZINC000875481186 615925110 /nfs/dbraw/zinc/92/51/10/615925110.db2.gz HIYICIPZJFGYFB-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433676 616041056 /nfs/dbraw/zinc/04/10/56/616041056.db2.gz SLVBTXXQXASEJE-NSHDSACASA-N 1 2 261.329 0.399 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818814 616041504 /nfs/dbraw/zinc/04/15/04/616041504.db2.gz RSQNMUDCBRHVDE-JSGCOSHPSA-N 1 2 287.367 0.502 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000930519403 616149240 /nfs/dbraw/zinc/14/92/40/616149240.db2.gz IYKRSVZMJYEHJU-LLVKDONJSA-N 1 2 269.345 0.812 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000930519403 616149241 /nfs/dbraw/zinc/14/92/41/616149241.db2.gz IYKRSVZMJYEHJU-LLVKDONJSA-N 1 2 269.345 0.812 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@H]1CO ZINC000913555645 616220959 /nfs/dbraw/zinc/22/09/59/616220959.db2.gz JGBOPPLAPMQOSA-NSHDSACASA-N 1 2 263.341 0.205 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@H]1CO ZINC000913555645 616220960 /nfs/dbraw/zinc/22/09/60/616220960.db2.gz JGBOPPLAPMQOSA-NSHDSACASA-N 1 2 263.341 0.205 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1CO ZINC000913544609 616230636 /nfs/dbraw/zinc/23/06/36/616230636.db2.gz IXIZYGCKPMCBPA-SNVBAGLBSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1CO ZINC000913544609 616230637 /nfs/dbraw/zinc/23/06/37/616230637.db2.gz IXIZYGCKPMCBPA-SNVBAGLBSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccsc2C#N)C[C@H]1CO ZINC000913555641 616231294 /nfs/dbraw/zinc/23/12/94/616231294.db2.gz JCKQVOFDGRZGAK-VIFPVBQESA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccsc2C#N)C[C@H]1CO ZINC000913555641 616231295 /nfs/dbraw/zinc/23/12/95/616231295.db2.gz JCKQVOFDGRZGAK-VIFPVBQESA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@@H+]1CCN(c2snc(Cl)c2C#N)C[C@H]1CO ZINC000894887773 616247906 /nfs/dbraw/zinc/24/79/06/616247906.db2.gz IWKFHWVNRQZSMI-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2snc(Cl)c2C#N)C[C@H]1CO ZINC000894887773 616247907 /nfs/dbraw/zinc/24/79/07/616247907.db2.gz IWKFHWVNRQZSMI-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO CNC(=O)C[NH+](CCCCC1(C#N)CCC1)CC(=O)NC ZINC000931622688 616593889 /nfs/dbraw/zinc/59/38/89/616593889.db2.gz QTTCYMJDSLLENS-UHFFFAOYSA-N 1 2 294.399 0.645 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCOCCC#N ZINC000879029159 616859447 /nfs/dbraw/zinc/85/94/47/616859447.db2.gz XNMVIKRKPQDAHX-AWEZNQCLSA-N 1 2 284.356 0.961 20 30 CCEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCOCCC#N ZINC000879029159 616859451 /nfs/dbraw/zinc/85/94/51/616859451.db2.gz XNMVIKRKPQDAHX-AWEZNQCLSA-N 1 2 284.356 0.961 20 30 CCEDLO COCc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895160540 616898434 /nfs/dbraw/zinc/89/84/34/616898434.db2.gz AFTSEURRZDDNNE-NSHDSACASA-N 1 2 254.286 0.896 20 30 CCEDLO CON1CC[C@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000930829079 617099521 /nfs/dbraw/zinc/09/95/21/617099521.db2.gz XNPWLRXBBPOUQU-TUAOUCFPSA-N 1 2 266.345 0.067 20 30 CCEDLO CON1CC[C@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000930829079 617099523 /nfs/dbraw/zinc/09/95/23/617099523.db2.gz XNPWLRXBBPOUQU-TUAOUCFPSA-N 1 2 266.345 0.067 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921413481 617153045 /nfs/dbraw/zinc/15/30/45/617153045.db2.gz MWBNPYFTELBEFV-LLVKDONJSA-N 1 2 295.364 0.549 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921413481 617153046 /nfs/dbraw/zinc/15/30/46/617153046.db2.gz MWBNPYFTELBEFV-LLVKDONJSA-N 1 2 295.364 0.549 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972291098 622746865 /nfs/dbraw/zinc/74/68/65/622746865.db2.gz MMYKKWODDVJTEB-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972291098 622746869 /nfs/dbraw/zinc/74/68/69/622746869.db2.gz MMYKKWODDVJTEB-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]ccc3C)C2)C1 ZINC000972365386 622780213 /nfs/dbraw/zinc/78/02/13/622780213.db2.gz SLEFPYZUUWMHNX-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]ccc3C)C2)C1 ZINC000972365386 622780217 /nfs/dbraw/zinc/78/02/17/622780217.db2.gz SLEFPYZUUWMHNX-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972556400 623016904 /nfs/dbraw/zinc/01/69/04/623016904.db2.gz GIRUUYHYHUCOSN-YCPHGPKFSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972556400 623016910 /nfs/dbraw/zinc/01/69/10/623016910.db2.gz GIRUUYHYHUCOSN-YCPHGPKFSA-N 1 2 292.379 0.348 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N1CCCC1 ZINC000092914174 625615839 /nfs/dbraw/zinc/61/58/39/625615839.db2.gz MDLUKOOMUBEKTK-UHFFFAOYSA-N 1 2 262.313 0.535 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000969996517 624569184 /nfs/dbraw/zinc/56/91/84/624569184.db2.gz JINAEKOEBSTPST-NWDGAFQWSA-N 1 2 287.367 0.406 20 30 CCEDLO N#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980247992 631004702 /nfs/dbraw/zinc/00/47/02/631004702.db2.gz REYOUVRHVIFERK-MJBXVCDLSA-N 1 2 287.367 0.623 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](NCC#N)C1 ZINC000981488204 631283507 /nfs/dbraw/zinc/28/35/07/631283507.db2.gz VABNMAIJWKKGJR-VXGBXAGGSA-N 1 2 275.356 0.801 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740271 631312979 /nfs/dbraw/zinc/31/29/79/631312979.db2.gz GIZZQDTWSNFXJV-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968533078 650019063 /nfs/dbraw/zinc/01/90/63/650019063.db2.gz HCNGIEFKDLBAIZ-YPMHNXCESA-N 1 2 275.356 0.313 20 30 CCEDLO Cc1nsc(N2CC[N@@H+](C)[C@@H](CO)C2)c1C#N ZINC000894886121 631871744 /nfs/dbraw/zinc/87/17/44/631871744.db2.gz UOWSCCXZWPZYKU-SECBINFHSA-N 1 2 252.343 0.436 20 30 CCEDLO Cc1nsc(N2CC[N@H+](C)[C@@H](CO)C2)c1C#N ZINC000894886121 631871750 /nfs/dbraw/zinc/87/17/50/631871750.db2.gz UOWSCCXZWPZYKU-SECBINFHSA-N 1 2 252.343 0.436 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000310426887 631916343 /nfs/dbraw/zinc/91/63/43/631916343.db2.gz PFZJMWSPQSDFOJ-QWRGUYRKSA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000310426887 631916350 /nfs/dbraw/zinc/91/63/50/631916350.db2.gz PFZJMWSPQSDFOJ-QWRGUYRKSA-N 1 2 260.359 0.424 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000895066419 631916700 /nfs/dbraw/zinc/91/67/00/631916700.db2.gz KORRAQIMPUBOFV-UHFFFAOYSA-N 1 2 299.334 0.826 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2nccn2CC(F)(F)F)CCCN1O ZINC000895165188 631999723 /nfs/dbraw/zinc/99/97/23/631999723.db2.gz KMFZHLHEWMTHMB-MRVPVSSYSA-N 1 2 292.261 0.915 20 30 CCEDLO Cc1nc(NC[C@@]2(CO)COCC[N@H+]2C)ccc1C#N ZINC000895613604 632109749 /nfs/dbraw/zinc/10/97/49/632109749.db2.gz ZJMYVKLYKJOBNF-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1nc(NC[C@@]2(CO)COCC[N@@H+]2C)ccc1C#N ZINC000895613604 632109754 /nfs/dbraw/zinc/10/97/54/632109754.db2.gz ZJMYVKLYKJOBNF-CQSZACIVSA-N 1 2 276.340 0.367 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007095466 650065833 /nfs/dbraw/zinc/06/58/33/650065833.db2.gz ASXTXKIZIPOGCI-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007095466 650065836 /nfs/dbraw/zinc/06/58/36/650065836.db2.gz ASXTXKIZIPOGCI-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734999 650089493 /nfs/dbraw/zinc/08/94/93/650089493.db2.gz AKAXAUIBICUOPP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734999 650089495 /nfs/dbraw/zinc/08/94/95/650089495.db2.gz AKAXAUIBICUOPP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986627025 632783810 /nfs/dbraw/zinc/78/38/10/632783810.db2.gz DIBIXRJPJYUEHS-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008184608 650104508 /nfs/dbraw/zinc/10/45/08/650104508.db2.gz UJDAYSKQXARWGP-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008184608 650104509 /nfs/dbraw/zinc/10/45/09/650104509.db2.gz UJDAYSKQXARWGP-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008385007 650113224 /nfs/dbraw/zinc/11/32/24/650113224.db2.gz NLOQHKMKRNKEDV-CQSZACIVSA-N 1 2 285.347 0.104 20 30 CCEDLO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008385007 650113225 /nfs/dbraw/zinc/11/32/25/650113225.db2.gz NLOQHKMKRNKEDV-CQSZACIVSA-N 1 2 285.347 0.104 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008249870 650107783 /nfs/dbraw/zinc/10/77/83/650107783.db2.gz RPMZEGMKPIMMOJ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008249870 650107785 /nfs/dbraw/zinc/10/77/85/650107785.db2.gz RPMZEGMKPIMMOJ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(CC#N)CC1 ZINC000989483923 633317168 /nfs/dbraw/zinc/31/71/68/633317168.db2.gz YRFCNUHYPYUPBT-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)co1 ZINC000899066524 633726302 /nfs/dbraw/zinc/72/63/02/633726302.db2.gz WFYMZCNLFYASRV-UHFFFAOYSA-N 1 2 291.307 0.330 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)co1 ZINC000899066524 633726306 /nfs/dbraw/zinc/72/63/06/633726306.db2.gz WFYMZCNLFYASRV-UHFFFAOYSA-N 1 2 291.307 0.330 20 30 CCEDLO N#Cc1cccnc1-n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000899730962 633876292 /nfs/dbraw/zinc/87/62/92/633876292.db2.gz QMDZASVFCPMKPZ-UHFFFAOYSA-N 1 2 284.323 0.491 20 30 CCEDLO O=C(c1cccc(C#CCO)c1)N1CC(n2cc[nH+]c2)C1 ZINC000900719048 634077212 /nfs/dbraw/zinc/07/72/12/634077212.db2.gz VPDJQRHIRZCGDP-UHFFFAOYSA-N 1 2 281.315 0.924 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001009129996 650138252 /nfs/dbraw/zinc/13/82/52/650138252.db2.gz HWWWBYAZHOXOFP-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001009129996 650138253 /nfs/dbraw/zinc/13/82/53/650138253.db2.gz HWWWBYAZHOXOFP-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO CC#CCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901356371 634234860 /nfs/dbraw/zinc/23/48/60/634234860.db2.gz BNHFIBKGDHIEJN-QBFSEMIESA-N 1 2 250.342 0.795 20 30 CCEDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)ncc1C#N ZINC000913452575 636810037 /nfs/dbraw/zinc/81/00/37/636810037.db2.gz CBCLLOLTHNENPG-AWEZNQCLSA-N 1 2 296.334 0.772 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CCC1 ZINC000913446631 636816171 /nfs/dbraw/zinc/81/61/71/636816171.db2.gz CEFBTBFQWDFFRZ-NSHDSACASA-N 1 2 259.313 0.576 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446787 636816543 /nfs/dbraw/zinc/81/65/43/636816543.db2.gz IWIWZVDDZOTPFP-LBPRGKRZSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C(C)(C)C#N)CC[NH2+]2)cn1 ZINC000913466938 636819915 /nfs/dbraw/zinc/81/99/15/636819915.db2.gz HAOMKOZGRHFJSN-NSHDSACASA-N 1 2 261.329 0.443 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001015169558 637378494 /nfs/dbraw/zinc/37/84/94/637378494.db2.gz HZRIOKIWNNDDQJ-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001015169558 637378503 /nfs/dbraw/zinc/37/85/03/637378503.db2.gz HZRIOKIWNNDDQJ-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)c1C#N ZINC000921413137 638178322 /nfs/dbraw/zinc/17/83/22/638178322.db2.gz FBULDGGUUMNKHH-NSHDSACASA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)c1C#N ZINC000921413137 638178326 /nfs/dbraw/zinc/17/83/26/638178326.db2.gz FBULDGGUUMNKHH-NSHDSACASA-N 1 2 279.365 0.849 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939395632 638358658 /nfs/dbraw/zinc/35/86/58/638358658.db2.gz FGSCAJATDNNKNC-QWRGUYRKSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCOCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181619906 638396072 /nfs/dbraw/zinc/39/60/72/638396072.db2.gz PRXAAQVTGYDJBH-GFCCVEGCSA-N 1 2 255.314 0.290 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000997242313 638860475 /nfs/dbraw/zinc/86/04/75/638860475.db2.gz FIHWGUVEQCEDFI-UHFFFAOYSA-N 1 2 290.367 0.800 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998744622 638938594 /nfs/dbraw/zinc/93/85/94/638938594.db2.gz CTMSADFWSVQOTP-MWLCHTKSSA-N 1 2 277.328 0.618 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538552 638984727 /nfs/dbraw/zinc/98/47/27/638984727.db2.gz YHTWQPWMTSZJIF-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](NCC#N)C1 ZINC000999775161 638995696 /nfs/dbraw/zinc/99/56/96/638995696.db2.gz JZGMZFQSGWWSST-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000765 650513858 /nfs/dbraw/zinc/51/38/58/650513858.db2.gz RIIPRNYIJGPUQJ-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCN(CC#N)C1)C2 ZINC001015012704 650514377 /nfs/dbraw/zinc/51/43/77/650514377.db2.gz FHWMDOYEMGRUHW-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCN(CC#N)C1)CC2 ZINC001015012704 650514378 /nfs/dbraw/zinc/51/43/78/650514378.db2.gz FHWMDOYEMGRUHW-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCN(CC#N)C1)C2 ZINC001015012702 650514922 /nfs/dbraw/zinc/51/49/22/650514922.db2.gz FHWMDOYEMGRUHW-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCN(CC#N)C1)CC2 ZINC001015012702 650514927 /nfs/dbraw/zinc/51/49/27/650514927.db2.gz FHWMDOYEMGRUHW-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO COCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004303715 639763076 /nfs/dbraw/zinc/76/30/76/639763076.db2.gz TVEWZIKNMVGJKU-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO COCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004303715 639763081 /nfs/dbraw/zinc/76/30/81/639763081.db2.gz TVEWZIKNMVGJKU-ZDUSSCGKSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779213321 640418586 /nfs/dbraw/zinc/41/85/86/640418586.db2.gz GHAISJFVLJGCMF-HIFRSBDPSA-N 1 2 296.330 0.919 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000804439931 640767475 /nfs/dbraw/zinc/76/74/75/640767475.db2.gz NVCFKPTYTMEWLR-CJNGLKHVSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001015783340 650629746 /nfs/dbraw/zinc/62/97/46/650629746.db2.gz NGZRYOOJGJYYIZ-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001015783340 650629747 /nfs/dbraw/zinc/62/97/47/650629747.db2.gz NGZRYOOJGJYYIZ-NSHDSACASA-N 1 2 296.330 0.773 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCC2)O1 ZINC000830707461 642287007 /nfs/dbraw/zinc/28/70/07/642287007.db2.gz FITBMZUTLDZJTE-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCC2)O1 ZINC000830707461 642287015 /nfs/dbraw/zinc/28/70/15/642287015.db2.gz FITBMZUTLDZJTE-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000832318028 642471031 /nfs/dbraw/zinc/47/10/31/642471031.db2.gz SJSXJWSPXGGBAR-BETUJISGSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000832318028 642471039 /nfs/dbraw/zinc/47/10/39/642471039.db2.gz SJSXJWSPXGGBAR-BETUJISGSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2[nH]ncc2F)CC1 ZINC001016813935 650763746 /nfs/dbraw/zinc/76/37/46/650763746.db2.gz FXXDLCGUEDKIFN-LLVKDONJSA-N 1 2 276.315 0.766 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000837397794 642741432 /nfs/dbraw/zinc/74/14/32/642741432.db2.gz BUKDNRVTWZDBQL-NEPJUHHUSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1 ZINC001017488571 650805519 /nfs/dbraw/zinc/80/55/19/650805519.db2.gz FXERYTXNBLMKJU-GASCZTMLSA-N 1 2 291.395 0.017 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1 ZINC001017488571 650805523 /nfs/dbraw/zinc/80/55/23/650805523.db2.gz FXERYTXNBLMKJU-GASCZTMLSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)C(C)C ZINC001017525391 650808493 /nfs/dbraw/zinc/80/84/93/650808493.db2.gz NWKQJMBWLJUBGS-FRRDWIJNSA-N 1 2 250.342 0.312 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)C(C)C ZINC001017525391 650808494 /nfs/dbraw/zinc/80/84/94/650808494.db2.gz NWKQJMBWLJUBGS-FRRDWIJNSA-N 1 2 250.342 0.312 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000843461714 643066119 /nfs/dbraw/zinc/06/61/19/643066119.db2.gz WIUDJTPBVOVZEO-KBVBSXBZSA-N 1 2 259.313 0.057 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(CC)n1 ZINC001017568081 650811207 /nfs/dbraw/zinc/81/12/07/650811207.db2.gz TWLDFSSGGFBWMM-GASCZTMLSA-N 1 2 286.379 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(CC)n1 ZINC001017568081 650811208 /nfs/dbraw/zinc/81/12/08/650811208.db2.gz TWLDFSSGGFBWMM-GASCZTMLSA-N 1 2 286.379 0.754 20 30 CCEDLO C[C@@H](CC(=O)OCC(=O)NCCC#N)n1cc[nH+]c1 ZINC000845277066 643298303 /nfs/dbraw/zinc/29/83/03/643298303.db2.gz LAQRTMPVAPEXHP-JTQLQIEISA-N 1 2 264.285 0.407 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001017978462 650838234 /nfs/dbraw/zinc/83/82/34/650838234.db2.gz LUXDBUMCFINHHV-FQUUOJAGSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001017978462 650838235 /nfs/dbraw/zinc/83/82/35/650838235.db2.gz LUXDBUMCFINHHV-FQUUOJAGSA-N 1 2 289.379 0.210 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001018089483 650843165 /nfs/dbraw/zinc/84/31/65/650843165.db2.gz KAQSDGBRCUPRAV-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001018089483 650843168 /nfs/dbraw/zinc/84/31/68/650843168.db2.gz KAQSDGBRCUPRAV-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](NCC#N)C1)C2 ZINC001019062351 650934914 /nfs/dbraw/zinc/93/49/14/650934914.db2.gz QDOPGXYTIUGRLS-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](NCC#N)C1)CC2 ZINC001019062351 650934916 /nfs/dbraw/zinc/93/49/16/650934916.db2.gz QDOPGXYTIUGRLS-RYUDHWBXSA-N 1 2 287.367 0.537 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642174 645259157 /nfs/dbraw/zinc/25/91/57/645259157.db2.gz JMFSBJSCNBMQMW-UHFFFAOYSA-N 1 2 251.290 0.446 20 30 CCEDLO N#C[C@@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CCSC1 ZINC000865078448 645320681 /nfs/dbraw/zinc/32/06/81/645320681.db2.gz WQHWVTWASHOWBB-FYDYADQUSA-N 1 2 281.381 0.390 20 30 CCEDLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(C#N)c1O ZINC000866366004 645523394 /nfs/dbraw/zinc/52/33/94/645523394.db2.gz WQUJYIAQHDPYRS-SNVBAGLBSA-N 1 2 297.380 0.806 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCOC1 ZINC000868263379 645740083 /nfs/dbraw/zinc/74/00/83/645740083.db2.gz NOURSTZBGTXMJW-FZMZJTMJSA-N 1 2 274.324 0.634 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296290 651056964 /nfs/dbraw/zinc/05/69/64/651056964.db2.gz LPZODPJZPNZQBN-XYPYZODXSA-N 1 2 269.308 0.937 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1ccncc1C#N ZINC000872772449 646321438 /nfs/dbraw/zinc/32/14/38/646321438.db2.gz VLVRYMKUNUEUDE-ZDUSSCGKSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1ccncc1C#N ZINC000872772449 646321443 /nfs/dbraw/zinc/32/14/43/646321443.db2.gz VLVRYMKUNUEUDE-ZDUSSCGKSA-N 1 2 260.341 0.898 20 30 CCEDLO Cc1nc2cccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2[nH]1 ZINC000876803355 646670721 /nfs/dbraw/zinc/67/07/21/646670721.db2.gz VYZXKJMEDATZNZ-BXKDBHETSA-N 1 2 269.308 0.713 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878323168 646893596 /nfs/dbraw/zinc/89/35/96/646893596.db2.gz XJDUDRWOUKRVNT-AWEZNQCLSA-N 1 2 298.350 0.698 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878323168 646893598 /nfs/dbraw/zinc/89/35/98/646893598.db2.gz XJDUDRWOUKRVNT-AWEZNQCLSA-N 1 2 298.350 0.698 20 30 CCEDLO Cn1nnnc1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000879916760 647126888 /nfs/dbraw/zinc/12/68/88/647126888.db2.gz JDERTJWUCASVHN-UHFFFAOYSA-N 1 2 283.339 0.856 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)CCC1 ZINC000886099290 647901509 /nfs/dbraw/zinc/90/15/09/647901509.db2.gz WZLUMNKTVNHHBK-GHMZBOCLSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)CCC1 ZINC000886099290 647901512 /nfs/dbraw/zinc/90/15/12/647901512.db2.gz WZLUMNKTVNHHBK-GHMZBOCLSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC(=O)NCC23COC3)CCC1 ZINC000886317972 647962234 /nfs/dbraw/zinc/96/22/34/647962234.db2.gz GDPZZGWVQIBSTH-GFCCVEGCSA-N 1 2 293.367 0.022 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC(=O)NCC23COC3)CCC1 ZINC000886317972 647962239 /nfs/dbraw/zinc/96/22/39/647962239.db2.gz GDPZZGWVQIBSTH-GFCCVEGCSA-N 1 2 293.367 0.022 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000934509998 649177829 /nfs/dbraw/zinc/17/78/29/649177829.db2.gz FYNLYVHDNSTGMZ-LBPRGKRZSA-N 1 2 265.357 0.956 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000934509998 649177832 /nfs/dbraw/zinc/17/78/32/649177832.db2.gz FYNLYVHDNSTGMZ-LBPRGKRZSA-N 1 2 265.357 0.956 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)/N=C/c1ccc(O)c(O)c1O ZINC000193334579 649534360 /nfs/dbraw/zinc/53/43/60/649534360.db2.gz SIWNCWLOTJVWLA-CYANDVJASA-N 1 2 280.324 0.943 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951870250 649568600 /nfs/dbraw/zinc/56/86/00/649568600.db2.gz PMRORTMCZCENED-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)c[nH]1 ZINC000958618568 649814798 /nfs/dbraw/zinc/81/47/98/649814798.db2.gz TYHXXPVQRFMFKX-WDNDVIMCSA-N 1 2 297.318 0.735 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)c[nH]1 ZINC000958618568 649814800 /nfs/dbraw/zinc/81/48/00/649814800.db2.gz TYHXXPVQRFMFKX-WDNDVIMCSA-N 1 2 297.318 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C ZINC001017390282 649830836 /nfs/dbraw/zinc/83/08/36/649830836.db2.gz KEDZPTSTOVZUFC-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C ZINC001017390282 649830837 /nfs/dbraw/zinc/83/08/37/649830837.db2.gz KEDZPTSTOVZUFC-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230497453 805605982 /nfs/dbraw/zinc/60/59/82/805605982.db2.gz WJMMXBMUBLXUGF-CQSZACIVSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230497453 805605986 /nfs/dbraw/zinc/60/59/86/805605986.db2.gz WJMMXBMUBLXUGF-CQSZACIVSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230563263 805623571 /nfs/dbraw/zinc/62/35/71/805623571.db2.gz ZFSBFNDITFQYTQ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230563263 805623580 /nfs/dbraw/zinc/62/35/80/805623580.db2.gz ZFSBFNDITFQYTQ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039006958 790335485 /nfs/dbraw/zinc/33/54/85/790335485.db2.gz FBXYFEGDTHSCET-NSHDSACASA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039006958 790335496 /nfs/dbraw/zinc/33/54/96/790335496.db2.gz FBXYFEGDTHSCET-NSHDSACASA-N 1 2 269.308 0.395 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)N(C)CC ZINC001266262586 790351756 /nfs/dbraw/zinc/35/17/56/790351756.db2.gz PYYBIMSYMAVDSJ-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)N(C)CC ZINC001266262586 790351770 /nfs/dbraw/zinc/35/17/70/790351770.db2.gz PYYBIMSYMAVDSJ-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000088476562 790361513 /nfs/dbraw/zinc/36/15/13/790361513.db2.gz CVEPGHMATVDNJT-JTQLQIEISA-N 1 2 259.375 0.644 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)CC(=O)NCC(C)C ZINC001266273147 790374951 /nfs/dbraw/zinc/37/49/51/790374951.db2.gz LLOFKDZUVOBQGU-UHFFFAOYSA-N 1 2 281.400 0.466 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)CC(=O)NCC(C)C ZINC001266273147 790374964 /nfs/dbraw/zinc/37/49/64/790374964.db2.gz LLOFKDZUVOBQGU-UHFFFAOYSA-N 1 2 281.400 0.466 20 30 CCEDLO COCCC1(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001266285710 790407002 /nfs/dbraw/zinc/40/70/02/790407002.db2.gz KEOLMDAFSASDCP-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccco3)[C@H]2C1 ZINC001083191041 790460213 /nfs/dbraw/zinc/46/02/13/790460213.db2.gz IYBFTYHJNBHRFE-KCQAQPDRSA-N 1 2 288.347 0.928 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccco3)[C@H]2C1 ZINC001083191041 790460217 /nfs/dbraw/zinc/46/02/17/790460217.db2.gz IYBFTYHJNBHRFE-KCQAQPDRSA-N 1 2 288.347 0.928 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001266304603 790472267 /nfs/dbraw/zinc/47/22/67/790472267.db2.gz BWYJEVQSESCPMR-MNOVXSKESA-N 1 2 285.413 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001266304603 790472271 /nfs/dbraw/zinc/47/22/71/790472271.db2.gz BWYJEVQSESCPMR-MNOVXSKESA-N 1 2 285.413 0.231 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001266362219 790588479 /nfs/dbraw/zinc/58/84/79/790588479.db2.gz ZOSOXYIYPRKPRC-NEPJUHHUSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001266362219 790588484 /nfs/dbraw/zinc/58/84/84/790588484.db2.gz ZOSOXYIYPRKPRC-NEPJUHHUSA-N 1 2 288.413 0.434 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nncs2)c1 ZINC001125369845 790802836 /nfs/dbraw/zinc/80/28/36/790802836.db2.gz CFDPVNCZLJIWOI-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041755613 790962016 /nfs/dbraw/zinc/96/20/16/790962016.db2.gz SEBWSYZDFFUCSC-AWEZNQCLSA-N 1 2 273.340 0.400 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654233 805642759 /nfs/dbraw/zinc/64/27/59/805642759.db2.gz MPXRDVRGJCIVML-ZDUSSCGKSA-N 1 2 294.351 0.057 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654233 805642764 /nfs/dbraw/zinc/64/27/64/805642764.db2.gz MPXRDVRGJCIVML-ZDUSSCGKSA-N 1 2 294.351 0.057 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230705145 805653799 /nfs/dbraw/zinc/65/37/99/805653799.db2.gz JEKYTODZCONIRV-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230705145 805653804 /nfs/dbraw/zinc/65/38/04/805653804.db2.gz JEKYTODZCONIRV-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803126 805669001 /nfs/dbraw/zinc/66/90/01/805669001.db2.gz VDXRXPSXAYWKHW-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803126 805669003 /nfs/dbraw/zinc/66/90/03/805669003.db2.gz VDXRXPSXAYWKHW-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024696 805712198 /nfs/dbraw/zinc/71/21/98/805712198.db2.gz GLWBFDGGFKTHAG-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024696 805712202 /nfs/dbraw/zinc/71/22/02/805712202.db2.gz GLWBFDGGFKTHAG-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001231232899 805758256 /nfs/dbraw/zinc/75/82/56/805758256.db2.gz HBRAVEWTHCXRJX-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001231232899 805758258 /nfs/dbraw/zinc/75/82/58/805758258.db2.gz HBRAVEWTHCXRJX-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO C#Cc1cccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c1 ZINC001231663395 805826067 /nfs/dbraw/zinc/82/60/67/805826067.db2.gz RCWKCWLWXMZXIK-UHFFFAOYSA-N 1 2 269.348 0.284 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cnco2)C3)C1 ZINC001277554116 805843860 /nfs/dbraw/zinc/84/38/60/805843860.db2.gz UNPBCISKXFWYDI-ZDUSSCGKSA-N 1 2 286.335 0.869 20 30 CCEDLO CN(C(=O)CSCC#N)C1C[NH+](CCOCC2CC2)C1 ZINC001277555760 805845209 /nfs/dbraw/zinc/84/52/09/805845209.db2.gz VKNNWEFUUXWDHL-UHFFFAOYSA-N 1 2 297.424 0.812 20 30 CCEDLO C#CC[N@@H+](C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC001231836247 805861081 /nfs/dbraw/zinc/86/10/81/805861081.db2.gz ZOKLWIBRPWXDHS-UHFFFAOYSA-N 1 2 262.357 0.630 20 30 CCEDLO C#CC[N@H+](C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC001231836247 805861090 /nfs/dbraw/zinc/86/10/90/805861090.db2.gz ZOKLWIBRPWXDHS-UHFFFAOYSA-N 1 2 262.357 0.630 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](CC)NC(C)=O)C1 ZINC001277665427 805938600 /nfs/dbraw/zinc/93/86/00/805938600.db2.gz ARSNQUZYLCPXHR-ZDUSSCGKSA-N 1 2 265.357 0.067 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COc2cccnc2)C1 ZINC001277671552 805947631 /nfs/dbraw/zinc/94/76/31/805947631.db2.gz XGLGIFVLWUQMEY-UHFFFAOYSA-N 1 2 261.325 0.789 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2cccc(C#N)n2)C1 ZINC001232925648 805996160 /nfs/dbraw/zinc/99/61/60/805996160.db2.gz JPEMFOJSLAZCMC-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2cccc(C#N)n2)C1 ZINC001232925648 805996168 /nfs/dbraw/zinc/99/61/68/805996168.db2.gz JPEMFOJSLAZCMC-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2[nH]ccc2C#N)CC1 ZINC001233043308 806013194 /nfs/dbraw/zinc/01/31/94/806013194.db2.gz BRFYBTRRQSMCLF-UHFFFAOYSA-N 1 2 275.356 0.092 20 30 CCEDLO CC(=O)N(C)C1C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233386039 806053834 /nfs/dbraw/zinc/05/38/34/806053834.db2.gz CYQVRAADJDRWCC-UHFFFAOYSA-N 1 2 259.309 0.926 20 30 CCEDLO COC(=O)[C@H](CS)Nc1c[nH+]c2c(c1)CCCN2 ZINC001167623553 791646570 /nfs/dbraw/zinc/64/65/70/791646570.db2.gz RXTWMNYUCPOBTO-JTQLQIEISA-N 1 2 267.354 0.611 20 30 CCEDLO Cc1ncc(C[N@H+](C)CCNC(=O)C#CC2CC2)o1 ZINC001267194296 791654556 /nfs/dbraw/zinc/65/45/56/791654556.db2.gz MNQBSYFRHVUGMY-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO Cc1ncc(C[N@@H+](C)CCNC(=O)C#CC2CC2)o1 ZINC001267194296 791654563 /nfs/dbraw/zinc/65/45/63/791654563.db2.gz MNQBSYFRHVUGMY-UHFFFAOYSA-N 1 2 261.325 0.944 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC(C)(C)C ZINC001233808425 806125335 /nfs/dbraw/zinc/12/53/35/806125335.db2.gz AJHJKNAVAROVFS-AWEZNQCLSA-N 1 2 296.411 0.984 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)COC(C)(C)C ZINC001233808425 806125338 /nfs/dbraw/zinc/12/53/38/806125338.db2.gz AJHJKNAVAROVFS-AWEZNQCLSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234129034 806187165 /nfs/dbraw/zinc/18/71/65/806187165.db2.gz GYQBGRLXPJENBM-JWAFFJSPSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234129034 806187170 /nfs/dbraw/zinc/18/71/70/806187170.db2.gz GYQBGRLXPJENBM-JWAFFJSPSA-N 1 2 291.395 0.625 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234160004 806192780 /nfs/dbraw/zinc/19/27/80/806192780.db2.gz FVHBGNCITBTJKO-OAHLLOKOSA-N 1 2 276.380 0.828 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234160004 806192784 /nfs/dbraw/zinc/19/27/84/806192784.db2.gz FVHBGNCITBTJKO-OAHLLOKOSA-N 1 2 276.380 0.828 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267252488 793246861 /nfs/dbraw/zinc/24/68/61/793246861.db2.gz QGVRVWKDFPSOKX-NSHDSACASA-N 1 2 263.345 0.550 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267252488 793246870 /nfs/dbraw/zinc/24/68/70/793246870.db2.gz QGVRVWKDFPSOKX-NSHDSACASA-N 1 2 263.345 0.550 20 30 CCEDLO CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001267255762 793251761 /nfs/dbraw/zinc/25/17/61/793251761.db2.gz BMGNDYQCSKSVDD-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001267255762 793251767 /nfs/dbraw/zinc/25/17/67/793251767.db2.gz BMGNDYQCSKSVDD-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277883566 806299637 /nfs/dbraw/zinc/29/96/37/806299637.db2.gz KJVBJBSIOIFFKT-TZMCWYRMSA-N 1 2 287.367 0.550 20 30 CCEDLO CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277939538 806412472 /nfs/dbraw/zinc/41/24/72/806412472.db2.gz WHTRFFASGQGALD-OAHLLOKOSA-N 1 2 294.399 0.155 20 30 CCEDLO CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277939538 806412482 /nfs/dbraw/zinc/41/24/82/806412482.db2.gz WHTRFFASGQGALD-OAHLLOKOSA-N 1 2 294.399 0.155 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1cnns1 ZINC001235683215 806491271 /nfs/dbraw/zinc/49/12/71/806491271.db2.gz GUXPGOXDVACOKC-UHFFFAOYSA-N 1 2 284.385 0.679 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1cnns1 ZINC001235683215 806491275 /nfs/dbraw/zinc/49/12/75/806491275.db2.gz GUXPGOXDVACOKC-UHFFFAOYSA-N 1 2 284.385 0.679 20 30 CCEDLO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@](C)(C#N)C3)[C@@H](O)[C@@H]2O1 ZINC001236434362 806591183 /nfs/dbraw/zinc/59/11/83/806591183.db2.gz PGDVYGQKQBLROO-ZUDIRPEPSA-N 1 2 282.340 0.459 20 30 CCEDLO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@](C)(C#N)C3)[C@@H](O)[C@@H]2O1 ZINC001236434362 806591188 /nfs/dbraw/zinc/59/11/88/806591188.db2.gz PGDVYGQKQBLROO-ZUDIRPEPSA-N 1 2 282.340 0.459 20 30 CCEDLO Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)[nH+]cn1 ZINC001120963244 798969639 /nfs/dbraw/zinc/96/96/39/798969639.db2.gz KPGKWNGFKJTADV-UHFFFAOYSA-N 1 2 260.297 0.901 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2cccnc2NC1=O ZINC001123889686 799495126 /nfs/dbraw/zinc/49/51/26/799495126.db2.gz PPLXNKXBZODPDS-OLZOCXBDSA-N 1 2 298.346 0.159 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2cccnc2NC1=O ZINC001123889686 799495128 /nfs/dbraw/zinc/49/51/28/799495128.db2.gz PPLXNKXBZODPDS-OLZOCXBDSA-N 1 2 298.346 0.159 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)cc1 ZINC001138557896 799739003 /nfs/dbraw/zinc/73/90/03/799739003.db2.gz VEVPAUFYYMTGQI-UHFFFAOYSA-N 1 2 299.374 0.315 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001278234705 806784227 /nfs/dbraw/zinc/78/42/27/806784227.db2.gz SFZXYAMVLTUEDS-CMPLNLGQSA-N 1 2 294.355 0.660 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(F)c(OC)c2)CC1 ZINC001238451055 806784523 /nfs/dbraw/zinc/78/45/23/806784523.db2.gz JOOGWEGNXDWXPU-UHFFFAOYSA-N 1 2 263.316 0.980 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149789071 800298441 /nfs/dbraw/zinc/29/84/41/800298441.db2.gz LJVZTHLAUAWUBV-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149789071 800298445 /nfs/dbraw/zinc/29/84/45/800298445.db2.gz LJVZTHLAUAWUBV-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975509 800476457 /nfs/dbraw/zinc/47/64/57/800476457.db2.gz AHVVBXTVAGUTML-LLVKDONJSA-N 1 2 272.264 0.748 20 30 CCEDLO N#CCCCCCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152490052 800529965 /nfs/dbraw/zinc/52/99/65/800529965.db2.gz OAUFQOKKHSQOBZ-LBPRGKRZSA-N 1 2 264.329 0.903 20 30 CCEDLO N#CCCCCCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152490052 800529970 /nfs/dbraw/zinc/52/99/70/800529970.db2.gz OAUFQOKKHSQOBZ-LBPRGKRZSA-N 1 2 264.329 0.903 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)ccc2C#N)C[NH2+]1 ZINC001156243485 801139215 /nfs/dbraw/zinc/13/92/15/801139215.db2.gz WKQCTPBYSLQLRB-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO COc1nc(NCc2cc[nH+]c(N)c2)ncc1C#N ZINC001156756233 801231415 /nfs/dbraw/zinc/23/14/15/801231415.db2.gz UIYPZNVHQVDSJG-UHFFFAOYSA-N 1 2 256.269 0.946 20 30 CCEDLO Cc1nc(C#N)cnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157586115 801427052 /nfs/dbraw/zinc/42/70/52/801427052.db2.gz RCHALHUKRPIODU-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO Cc1nc(C#N)cnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157586115 801427056 /nfs/dbraw/zinc/42/70/56/801427056.db2.gz RCHALHUKRPIODU-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nnc(Cl)cc1C#N ZINC001157770036 801476108 /nfs/dbraw/zinc/47/61/08/801476108.db2.gz CWLPCEHOMWHPJR-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nnc(Cl)cc1C#N ZINC001157770036 801476111 /nfs/dbraw/zinc/47/61/11/801476111.db2.gz CWLPCEHOMWHPJR-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001158254745 801605782 /nfs/dbraw/zinc/60/57/82/801605782.db2.gz KCFPEYPYHQXRFM-BDAKNGLRSA-N 1 2 291.267 0.177 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158438240 801650126 /nfs/dbraw/zinc/65/01/26/801650126.db2.gz OSOPHSFOLPKPCC-SNVBAGLBSA-N 1 2 273.764 0.537 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158438240 801650129 /nfs/dbraw/zinc/65/01/29/801650129.db2.gz OSOPHSFOLPKPCC-SNVBAGLBSA-N 1 2 273.764 0.537 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N(CC#N)Cc1ccccc1 ZINC001160667911 801994377 /nfs/dbraw/zinc/99/43/77/801994377.db2.gz NPDRLIFUJMOVSO-LBPRGKRZSA-N 1 2 275.308 0.429 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+]C3(CC3)C2)ccc1O ZINC001161556841 802181147 /nfs/dbraw/zinc/18/11/47/802181147.db2.gz WGKWAHJXYRDNSG-UHFFFAOYSA-N 1 2 257.293 0.842 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(Cl)nc1C#N ZINC001161945238 802252533 /nfs/dbraw/zinc/25/25/33/802252533.db2.gz GXOMVYZUBXMJPT-ZCFIWIBFSA-N 1 2 269.692 0.304 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cccc3nonc32)CC1 ZINC001203138318 802273522 /nfs/dbraw/zinc/27/35/22/802273522.db2.gz SYSQEQZVPDLCSG-UHFFFAOYSA-N 1 2 256.309 0.974 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccon1 ZINC001278854952 808335854 /nfs/dbraw/zinc/33/58/54/808335854.db2.gz JYPFKOACOAUERL-CQSZACIVSA-N 1 2 293.367 0.729 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC001278854952 808335862 /nfs/dbraw/zinc/33/58/62/808335862.db2.gz JYPFKOACOAUERL-CQSZACIVSA-N 1 2 293.367 0.729 20 30 CCEDLO N#CCNCC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164352823 802728943 /nfs/dbraw/zinc/72/89/43/802728943.db2.gz XRDCYXBTGNOJKV-UHFFFAOYSA-N 1 2 275.356 0.742 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC2CCCC2)[C@H](OC)C1 ZINC001211937904 814935559 /nfs/dbraw/zinc/93/55/59/814935559.db2.gz ZGSUQZSYFPJQFV-ZIAGYGMSSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC2CCCC2)[C@H](OC)C1 ZINC001211937904 814935563 /nfs/dbraw/zinc/93/55/63/814935563.db2.gz ZGSUQZSYFPJQFV-ZIAGYGMSSA-N 1 2 280.368 0.394 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCn2ccnc21 ZINC001204937409 803109970 /nfs/dbraw/zinc/10/99/70/803109970.db2.gz IXAMPUYTDKIVGD-SNVBAGLBSA-N 1 2 255.343 0.518 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205743191 803168878 /nfs/dbraw/zinc/16/88/78/803168878.db2.gz ZUZNXPRNMTYLOC-VXGBXAGGSA-N 1 2 291.351 0.632 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205743191 803168880 /nfs/dbraw/zinc/16/88/80/803168880.db2.gz ZUZNXPRNMTYLOC-VXGBXAGGSA-N 1 2 291.351 0.632 20 30 CCEDLO Cc1nonc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001269388075 813352948 /nfs/dbraw/zinc/35/29/48/813352948.db2.gz FCLKLVTTWIUYSM-MRVPVSSYSA-N 1 2 263.301 0.276 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001206260822 803220187 /nfs/dbraw/zinc/22/01/87/803220187.db2.gz MYWVBAZQLHFEKR-GHMZBOCLSA-N 1 2 294.380 0.238 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001206260822 803220191 /nfs/dbraw/zinc/22/01/91/803220191.db2.gz MYWVBAZQLHFEKR-GHMZBOCLSA-N 1 2 294.380 0.238 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC001206268471 803221226 /nfs/dbraw/zinc/22/12/26/803221226.db2.gz SJHNNWBIXFRUQN-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC001206268471 803221230 /nfs/dbraw/zinc/22/12/30/803221230.db2.gz SJHNNWBIXFRUQN-VXGBXAGGSA-N 1 2 293.392 0.843 20 30 CCEDLO N#CCNCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683433 803278609 /nfs/dbraw/zinc/27/86/09/803278609.db2.gz GYMOQFMYSFOMKB-UHFFFAOYSA-N 1 2 261.329 0.304 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C3COC3)CC2)cc1C#N ZINC001207101111 803351761 /nfs/dbraw/zinc/35/17/61/803351761.db2.gz GJBMTEOYCXTHNN-UHFFFAOYSA-N 1 2 260.341 0.413 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@H](OC)C1 ZINC001213310856 803690547 /nfs/dbraw/zinc/69/05/47/803690547.db2.gz WZKYXZBCMDCFDA-HZSPNIEDSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@H](OC)C1 ZINC001213310856 803690551 /nfs/dbraw/zinc/69/05/51/803690551.db2.gz WZKYXZBCMDCFDA-HZSPNIEDSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCC2)[C@H](OC)C1 ZINC001213783107 803702708 /nfs/dbraw/zinc/70/27/08/803702708.db2.gz GAJRZAWDAMETBD-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CCC2)[C@H](OC)C1 ZINC001213783107 803702710 /nfs/dbraw/zinc/70/27/10/803702710.db2.gz GAJRZAWDAMETBD-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)o1 ZINC001214582258 803751141 /nfs/dbraw/zinc/75/11/41/803751141.db2.gz LZEHNGCONHFBBH-DGCLKSJQSA-N 1 2 290.367 0.974 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001272092739 814972134 /nfs/dbraw/zinc/97/21/34/814972134.db2.gz IKWVWMBJZIAKNE-NWDGAFQWSA-N 1 2 298.362 0.155 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001272092739 814972139 /nfs/dbraw/zinc/97/21/39/814972139.db2.gz IKWVWMBJZIAKNE-NWDGAFQWSA-N 1 2 298.362 0.155 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212022385 814978092 /nfs/dbraw/zinc/97/80/92/814978092.db2.gz NZZLSKARWQZGDN-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212022385 814978097 /nfs/dbraw/zinc/97/80/97/814978097.db2.gz NZZLSKARWQZGDN-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccsc1C#N ZINC001218624032 804040858 /nfs/dbraw/zinc/04/08/58/804040858.db2.gz FZAWSALIUPJVCY-LURJTMIESA-N 1 2 253.283 0.449 20 30 CCEDLO CCCC#CC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001272111384 815014674 /nfs/dbraw/zinc/01/46/74/815014674.db2.gz DOFDWYMDSHKXAL-UHFFFAOYSA-N 1 2 294.395 0.945 20 30 CCEDLO CCCC#CC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001272111384 815014683 /nfs/dbraw/zinc/01/46/83/815014683.db2.gz DOFDWYMDSHKXAL-UHFFFAOYSA-N 1 2 294.395 0.945 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219706993 804411849 /nfs/dbraw/zinc/41/18/49/804411849.db2.gz YJQXPMUMLOZPPU-MNOVXSKESA-N 1 2 258.337 0.720 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219706993 804411855 /nfs/dbraw/zinc/41/18/55/804411855.db2.gz YJQXPMUMLOZPPU-MNOVXSKESA-N 1 2 258.337 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913244 804446370 /nfs/dbraw/zinc/44/63/70/804446370.db2.gz IEVCGMLFESQDDZ-DYEKYZERSA-N 1 2 270.348 0.699 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913244 804446374 /nfs/dbraw/zinc/44/63/74/804446374.db2.gz IEVCGMLFESQDDZ-DYEKYZERSA-N 1 2 270.348 0.699 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001220245846 804548081 /nfs/dbraw/zinc/54/80/81/804548081.db2.gz WFODMXXRZKPNLW-HNNXBMFYSA-N 1 2 283.335 0.481 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCC)[C@@H](O)C1 ZINC001220615569 804637532 /nfs/dbraw/zinc/63/75/32/804637532.db2.gz IBBFOOYFCQXOON-IPYPFGDCSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCC)[C@@H](O)C1 ZINC001220615569 804637538 /nfs/dbraw/zinc/63/75/38/804637538.db2.gz IBBFOOYFCQXOON-IPYPFGDCSA-N 1 2 266.385 0.997 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316482131 804702818 /nfs/dbraw/zinc/70/28/18/804702818.db2.gz JZASNPOKCLBKDJ-AAEUAGOBSA-N 1 2 250.273 0.482 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316482131 804702822 /nfs/dbraw/zinc/70/28/22/804702822.db2.gz JZASNPOKCLBKDJ-AAEUAGOBSA-N 1 2 250.273 0.482 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](O)C1 ZINC001221165932 804739828 /nfs/dbraw/zinc/73/98/28/804739828.db2.gz BSSGMWMMUARMPL-CVSAEHQPSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](O)C1 ZINC001221165932 804739832 /nfs/dbraw/zinc/73/98/32/804739832.db2.gz BSSGMWMMUARMPL-CVSAEHQPSA-N 1 2 294.395 0.376 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC001221648152 804833501 /nfs/dbraw/zinc/83/35/01/804833501.db2.gz SVEJZEMMPCTZNM-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCS(C)(=O)=O)[C@@H]2C1 ZINC001221648152 804833503 /nfs/dbraw/zinc/83/35/03/804833503.db2.gz SVEJZEMMPCTZNM-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001222659563 804923610 /nfs/dbraw/zinc/92/36/10/804923610.db2.gz ZUECYFKIWDLJKS-SNVBAGLBSA-N 1 2 277.328 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001276893093 804974605 /nfs/dbraw/zinc/97/46/05/804974605.db2.gz WRJIRDZCCOHMOF-KGLIPLIRSA-N 1 2 290.367 0.321 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001276893093 804974609 /nfs/dbraw/zinc/97/46/09/804974609.db2.gz WRJIRDZCCOHMOF-KGLIPLIRSA-N 1 2 290.367 0.321 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)[C@H]1C ZINC001088638685 815045570 /nfs/dbraw/zinc/04/55/70/815045570.db2.gz ONPMUQVZFZZRKE-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)[C@H]1C ZINC001088638685 815045575 /nfs/dbraw/zinc/04/55/75/815045575.db2.gz ONPMUQVZFZZRKE-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001276948028 805011541 /nfs/dbraw/zinc/01/15/41/805011541.db2.gz HSTZSLHBODEEQV-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001276948028 805011549 /nfs/dbraw/zinc/01/15/49/805011549.db2.gz HSTZSLHBODEEQV-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978741 805046868 /nfs/dbraw/zinc/04/68/68/805046868.db2.gz NEHBNFPOPVLIFO-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978741 805046878 /nfs/dbraw/zinc/04/68/78/805046878.db2.gz NEHBNFPOPVLIFO-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001276985291 805062779 /nfs/dbraw/zinc/06/27/79/805062779.db2.gz AVNLKZPRGAHVHW-LSDHHAIUSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001276985291 805062789 /nfs/dbraw/zinc/06/27/89/805062789.db2.gz AVNLKZPRGAHVHW-LSDHHAIUSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CCNC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277173859 805309745 /nfs/dbraw/zinc/30/97/45/805309745.db2.gz KQVPPNNWGUTAIK-UHFFFAOYSA-N 1 2 299.378 0.910 20 30 CCEDLO N#CCC1CN(C(=O)C23CC([NH2+]Cc4ccn[nH]4)(C2)C3)C1 ZINC001277343936 805492403 /nfs/dbraw/zinc/49/24/03/805492403.db2.gz UZLFXZVFPJVTAA-UHFFFAOYSA-N 1 2 285.351 0.794 20 30 CCEDLO C=CCCNC(=S)NC1CC[NH+](C2COC2)CC1 ZINC001247676473 807476819 /nfs/dbraw/zinc/47/68/19/807476819.db2.gz PLDDYSZRVFHSDN-UHFFFAOYSA-N 1 2 269.414 0.890 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001126816176 815132352 /nfs/dbraw/zinc/13/23/52/815132352.db2.gz UPZOYWHQGYULCB-SNVBAGLBSA-N 1 2 266.370 0.964 20 30 CCEDLO N#Cc1cc(F)c(NC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC001251028179 807647904 /nfs/dbraw/zinc/64/79/04/807647904.db2.gz YODKFSRWAVFCDX-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251852021 807722386 /nfs/dbraw/zinc/72/23/86/807722386.db2.gz YHVCQEZRXSCNEN-ZFWWWQNUSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251852021 807722391 /nfs/dbraw/zinc/72/23/91/807722391.db2.gz YHVCQEZRXSCNEN-ZFWWWQNUSA-N 1 2 276.336 0.466 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)O ZINC001251957471 807750653 /nfs/dbraw/zinc/75/06/53/807750653.db2.gz GDZYPPRXOMMXNE-CMPLNLGQSA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](C)O ZINC001251957471 807750659 /nfs/dbraw/zinc/75/06/59/807750659.db2.gz GDZYPPRXOMMXNE-CMPLNLGQSA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001252465350 807877092 /nfs/dbraw/zinc/87/70/92/807877092.db2.gz FPUUUOAOUVIJKG-CRWXNKLISA-N 1 2 299.367 0.202 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001252465350 807877100 /nfs/dbraw/zinc/87/71/00/807877100.db2.gz FPUUUOAOUVIJKG-CRWXNKLISA-N 1 2 299.367 0.202 20 30 CCEDLO C=C[C@](C)(O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252545928 807906005 /nfs/dbraw/zinc/90/60/05/807906005.db2.gz QPYVTNSPDBEPKR-AWEZNQCLSA-N 1 2 280.372 0.564 20 30 CCEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001252571610 807912074 /nfs/dbraw/zinc/91/20/74/807912074.db2.gz ALGRBCXWYJRACK-AAEUAGOBSA-N 1 2 257.330 0.481 20 30 CCEDLO C=CC[NH+]1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC001252638626 807924471 /nfs/dbraw/zinc/92/44/71/807924471.db2.gz VGZGDPIYQDYCSS-CQSZACIVSA-N 1 2 280.368 0.961 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088801232 815168874 /nfs/dbraw/zinc/16/88/74/815168874.db2.gz QCPHTQMLUUQNEK-BDAKNGLRSA-N 1 2 284.751 0.155 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088801232 815168875 /nfs/dbraw/zinc/16/88/75/815168875.db2.gz QCPHTQMLUUQNEK-BDAKNGLRSA-N 1 2 284.751 0.155 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253578049 808086714 /nfs/dbraw/zinc/08/67/14/808086714.db2.gz UQCHSJUSODNAOV-QWRGUYRKSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253578049 808086723 /nfs/dbraw/zinc/08/67/23/808086723.db2.gz UQCHSJUSODNAOV-QWRGUYRKSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001253611768 808097220 /nfs/dbraw/zinc/09/72/20/808097220.db2.gz TUXWBLSROMROKQ-MNOVXSKESA-N 1 2 253.302 0.020 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254930192 808298283 /nfs/dbraw/zinc/29/82/83/808298283.db2.gz FBUAJOXHDOHVNW-XLDPMVHQSA-N 1 2 257.355 0.805 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001255327920 808344719 /nfs/dbraw/zinc/34/47/19/808344719.db2.gz PBABBWRRRWGDPE-WDEREUQCSA-N 1 2 264.329 0.698 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C1CCC2(CC1)OCCO2 ZINC001255622841 808414461 /nfs/dbraw/zinc/41/44/61/808414461.db2.gz LKIICVZFUBQXPM-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO CC(C)N(CCN(C)CC#N)C(=O)CCn1cc[nH+]c1 ZINC001278915108 808473688 /nfs/dbraw/zinc/47/36/88/808473688.db2.gz QVUVKPOQSYEGRB-UHFFFAOYSA-N 1 2 277.372 0.966 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCc2nccs2)C1 ZINC001278932327 808514059 /nfs/dbraw/zinc/51/40/59/808514059.db2.gz QXFUNNXYSMKRBI-UHFFFAOYSA-N 1 2 293.392 0.262 20 30 CCEDLO C=CCS(=O)(=O)Nc1c[nH+]ccc1N1CCOCC1 ZINC001259923360 808805293 /nfs/dbraw/zinc/80/52/93/808805293.db2.gz GGRGYYLMVBXSFI-UHFFFAOYSA-N 1 2 283.353 0.846 20 30 CCEDLO C#CC[N@H+](CC1CC1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001261637711 809038086 /nfs/dbraw/zinc/03/80/86/809038086.db2.gz DBTQUDGFYKQBNU-NWDGAFQWSA-N 1 2 257.355 0.144 20 30 CCEDLO C#CC[N@@H+](CC1CC1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001261637711 809038100 /nfs/dbraw/zinc/03/81/00/809038100.db2.gz DBTQUDGFYKQBNU-NWDGAFQWSA-N 1 2 257.355 0.144 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC001261906429 809126063 /nfs/dbraw/zinc/12/60/63/809126063.db2.gz XLLOWIAMGVVSTG-UHFFFAOYSA-N 1 2 283.291 0.547 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001262228431 809253370 /nfs/dbraw/zinc/25/33/70/809253370.db2.gz DPIPXTROSWSESE-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO CNC(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC001262287233 809266774 /nfs/dbraw/zinc/26/67/74/809266774.db2.gz YLGUEEJRPVSAHW-LLVKDONJSA-N 1 2 263.345 0.823 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1nnccc1C#N ZINC001262704299 809401012 /nfs/dbraw/zinc/40/10/12/809401012.db2.gz QKNGQYNQIBQBJO-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1nnccc1C#N ZINC001262704299 809401013 /nfs/dbraw/zinc/40/10/13/809401013.db2.gz QKNGQYNQIBQBJO-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2C)CC1 ZINC001262863248 809418632 /nfs/dbraw/zinc/41/86/32/809418632.db2.gz ZFGSSMATZIGPOL-UHFFFAOYSA-N 1 2 255.272 0.508 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988115 809425832 /nfs/dbraw/zinc/42/58/32/809425832.db2.gz MBTUHHLKWNQTQF-SWLSCSKDSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988115 809425835 /nfs/dbraw/zinc/42/58/35/809425835.db2.gz MBTUHHLKWNQTQF-SWLSCSKDSA-N 1 2 291.399 0.974 20 30 CCEDLO C#CCNC(=S)NNc1[nH+]ncc(N)c1Cl ZINC000381437355 809538556 /nfs/dbraw/zinc/53/85/56/809538556.db2.gz YFWNBQJXCPBZTA-UHFFFAOYSA-N 1 2 256.722 0.136 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1CC#N ZINC001264154176 809634644 /nfs/dbraw/zinc/63/46/44/809634644.db2.gz PMMUOJIXNWDHLA-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208899 809725060 /nfs/dbraw/zinc/72/50/60/809725060.db2.gz XVWITHGPGKYVQW-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208899 809725061 /nfs/dbraw/zinc/72/50/61/809725061.db2.gz XVWITHGPGKYVQW-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCOC2)CC1 ZINC001265257333 809733621 /nfs/dbraw/zinc/73/36/21/809733621.db2.gz BFRUSRITGDIRNU-OAHLLOKOSA-N 1 2 293.411 0.170 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001265284052 809747195 /nfs/dbraw/zinc/74/71/95/809747195.db2.gz LWRQQMAHYGDCJC-ZDUSSCGKSA-N 1 2 290.367 0.151 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001265284052 809747200 /nfs/dbraw/zinc/74/72/00/809747200.db2.gz LWRQQMAHYGDCJC-ZDUSSCGKSA-N 1 2 290.367 0.151 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2F)C1 ZINC001265307879 809753416 /nfs/dbraw/zinc/75/34/16/809753416.db2.gz HWGPCQIMPOFTJG-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ncccc2F)C1 ZINC001265307879 809753421 /nfs/dbraw/zinc/75/34/21/809753421.db2.gz HWGPCQIMPOFTJG-GFCCVEGCSA-N 1 2 291.326 0.675 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076650041 815328245 /nfs/dbraw/zinc/32/82/45/815328245.db2.gz MPNJKWRIEQENMZ-HUUCEWRRSA-N 1 2 276.311 0.358 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076650041 815328251 /nfs/dbraw/zinc/32/82/51/815328251.db2.gz MPNJKWRIEQENMZ-HUUCEWRRSA-N 1 2 276.311 0.358 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001280415777 810018020 /nfs/dbraw/zinc/01/80/20/810018020.db2.gz NVWSDTSNSGHZNJ-OCCSQVGLSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001280415777 810018025 /nfs/dbraw/zinc/01/80/25/810018025.db2.gz NVWSDTSNSGHZNJ-OCCSQVGLSA-N 1 2 286.347 0.508 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001076721673 815355243 /nfs/dbraw/zinc/35/52/43/815355243.db2.gz BXARWRTYEZEEOU-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001076721673 815355248 /nfs/dbraw/zinc/35/52/48/815355248.db2.gz BXARWRTYEZEEOU-CHWSQXEVSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001076753418 815362927 /nfs/dbraw/zinc/36/29/27/815362927.db2.gz JMFKDBUWIHBSLG-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001076753418 815362929 /nfs/dbraw/zinc/36/29/29/815362929.db2.gz JMFKDBUWIHBSLG-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO C[C@@H]([NH2+]CCN(C)C(=O)CSCC#N)c1csnn1 ZINC001267349563 811194393 /nfs/dbraw/zinc/19/43/93/811194393.db2.gz XYKOKDPTCJRLIP-SECBINFHSA-N 1 2 299.425 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001077047778 815438879 /nfs/dbraw/zinc/43/88/79/815438879.db2.gz SUEBAENFOUYLEF-RBSFLKMASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001077047778 815438884 /nfs/dbraw/zinc/43/88/84/815438884.db2.gz SUEBAENFOUYLEF-RBSFLKMASA-N 1 2 276.380 0.917 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001267629049 811586485 /nfs/dbraw/zinc/58/64/85/811586485.db2.gz KZKLBPQBDKXJGD-JSGCOSHPSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001267629049 811586492 /nfs/dbraw/zinc/58/64/92/811586492.db2.gz KZKLBPQBDKXJGD-JSGCOSHPSA-N 1 2 299.390 0.863 20 30 CCEDLO C#CCCCC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001267643781 811608724 /nfs/dbraw/zinc/60/87/24/811608724.db2.gz WRPQZCYJNLAEDY-CYBMUJFWSA-N 1 2 287.367 0.369 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001267681591 811646077 /nfs/dbraw/zinc/64/60/77/811646077.db2.gz OBHLJGWNCYTDGL-NSHDSACASA-N 1 2 270.760 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2CC)C1 ZINC001077272709 815470355 /nfs/dbraw/zinc/47/03/55/815470355.db2.gz JWSHBVJFXYEVKZ-ZIAGYGMSSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2CC)C1 ZINC001077272709 815470358 /nfs/dbraw/zinc/47/03/58/815470358.db2.gz JWSHBVJFXYEVKZ-ZIAGYGMSSA-N 1 2 287.363 0.442 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267761402 811758531 /nfs/dbraw/zinc/75/85/31/811758531.db2.gz HDKVJOSMPGOHPN-CQSZACIVSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267761402 811758539 /nfs/dbraw/zinc/75/85/39/811758539.db2.gz HDKVJOSMPGOHPN-CQSZACIVSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001104888796 811758983 /nfs/dbraw/zinc/75/89/83/811758983.db2.gz RDLPVNNVHDVJRB-VXGBXAGGSA-N 1 2 275.356 0.055 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001038370253 811841846 /nfs/dbraw/zinc/84/18/46/811841846.db2.gz BCLWKDOOBHLCOM-GFCCVEGCSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001038370253 811841853 /nfs/dbraw/zinc/84/18/53/811841853.db2.gz BCLWKDOOBHLCOM-GFCCVEGCSA-N 1 2 299.330 0.455 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC001105130893 811853690 /nfs/dbraw/zinc/85/36/90/811853690.db2.gz WITSGSGEASREON-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001105144525 811857540 /nfs/dbraw/zinc/85/75/40/811857540.db2.gz GOYWSJOLRGBXJG-FZMZJTMJSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C)c3)C2)nn1 ZINC001105221793 811866212 /nfs/dbraw/zinc/86/62/12/811866212.db2.gz WDECYDWRPGKKFH-UHFFFAOYSA-N 1 2 299.334 0.599 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)C=CCC3)C2)nn1 ZINC001105303511 811902276 /nfs/dbraw/zinc/90/22/76/811902276.db2.gz OEARBQLKBHIAEZ-INIZCTEOSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001038376103 811946583 /nfs/dbraw/zinc/94/65/83/811946583.db2.gz RFXLDNSWHMDUNP-NSHDSACASA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001038376103 811946588 /nfs/dbraw/zinc/94/65/88/811946588.db2.gz RFXLDNSWHMDUNP-NSHDSACASA-N 1 2 260.341 0.420 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)c1c[nH]c(C#N)c1)c1csnn1 ZINC001125994774 811972336 /nfs/dbraw/zinc/97/23/36/811972336.db2.gz JPGMYCMKABYSGH-MRVPVSSYSA-N 1 2 290.352 0.818 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001268025997 811996884 /nfs/dbraw/zinc/99/68/84/811996884.db2.gz LARCPVHKYWQMHO-AWEZNQCLSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001268025997 811996889 /nfs/dbraw/zinc/99/68/89/811996889.db2.gz LARCPVHKYWQMHO-AWEZNQCLSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038774154 812064499 /nfs/dbraw/zinc/06/44/99/812064499.db2.gz WIVCVGDEZPXVBA-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038774154 812064506 /nfs/dbraw/zinc/06/45/06/812064506.db2.gz WIVCVGDEZPXVBA-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](O)C1 ZINC001083594089 815520583 /nfs/dbraw/zinc/52/05/83/815520583.db2.gz LJKCSRMZNXEBSJ-KGLIPLIRSA-N 1 2 290.367 0.160 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](O)C1 ZINC001083594089 815520588 /nfs/dbraw/zinc/52/05/88/815520588.db2.gz LJKCSRMZNXEBSJ-KGLIPLIRSA-N 1 2 290.367 0.160 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccn(C)c1 ZINC001268231920 812394388 /nfs/dbraw/zinc/39/43/88/812394388.db2.gz HJZQRQFCQYVKGX-UHFFFAOYSA-N 1 2 292.383 0.331 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccn(C)c1 ZINC001268231920 812394397 /nfs/dbraw/zinc/39/43/97/812394397.db2.gz HJZQRQFCQYVKGX-UHFFFAOYSA-N 1 2 292.383 0.331 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001268238295 812404156 /nfs/dbraw/zinc/40/41/56/812404156.db2.gz ACWZSFDICAHXCR-UHFFFAOYSA-N 1 2 295.427 0.808 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001268238295 812404160 /nfs/dbraw/zinc/40/41/60/812404160.db2.gz ACWZSFDICAHXCR-UHFFFAOYSA-N 1 2 295.427 0.808 20 30 CCEDLO C=C1CCC(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000724458436 812535940 /nfs/dbraw/zinc/53/59/40/812535940.db2.gz IJYWEURMNQTHEN-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COCc2cccnc2)C1 ZINC001268478921 812638299 /nfs/dbraw/zinc/63/82/99/812638299.db2.gz PEKSASVWJITMPV-UHFFFAOYSA-N 1 2 273.336 0.422 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC001268484614 812663175 /nfs/dbraw/zinc/66/31/75/812663175.db2.gz IYBZYBNROQOXMP-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268485656 812663808 /nfs/dbraw/zinc/66/38/08/812663808.db2.gz VXZYXVZMIVJUEL-AWEZNQCLSA-N 1 2 295.427 0.721 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001098678847 812725041 /nfs/dbraw/zinc/72/50/41/812725041.db2.gz OEJCHVXHOJQKAW-CQSZACIVSA-N 1 2 298.350 0.416 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001042441391 812768222 /nfs/dbraw/zinc/76/82/22/812768222.db2.gz HSQYDTKBLQMXHR-UHFFFAOYSA-N 1 2 261.325 0.652 20 30 CCEDLO C#CCCCC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001268533040 812777402 /nfs/dbraw/zinc/77/74/02/812777402.db2.gz MOIVWBYIVPRMMF-AATRIKPKSA-N 1 2 262.313 0.635 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](O)C1 ZINC001083378863 812921494 /nfs/dbraw/zinc/92/14/94/812921494.db2.gz KPMSANCCWNWTQW-MNOVXSKESA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](O)C1 ZINC001083378863 812921501 /nfs/dbraw/zinc/92/15/01/812921501.db2.gz KPMSANCCWNWTQW-MNOVXSKESA-N 1 2 277.324 0.035 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643766 813107549 /nfs/dbraw/zinc/10/75/49/813107549.db2.gz RURFLONQGXLCCG-OLZOCXBDSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CC(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268851968 813113879 /nfs/dbraw/zinc/11/38/79/813113879.db2.gz YMBBLPRVCYUSRX-LLVKDONJSA-N 1 2 294.314 0.755 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1C ZINC001268939113 813150912 /nfs/dbraw/zinc/15/09/12/813150912.db2.gz BXHXVSAHEUSKCC-GJZGRUSLSA-N 1 2 299.374 0.939 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1C ZINC001268939113 813150915 /nfs/dbraw/zinc/15/09/15/813150915.db2.gz BXHXVSAHEUSKCC-GJZGRUSLSA-N 1 2 299.374 0.939 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001269057005 813199394 /nfs/dbraw/zinc/19/93/94/813199394.db2.gz OUECYJFMZSHWGP-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001269057005 813199397 /nfs/dbraw/zinc/19/93/97/813199397.db2.gz OUECYJFMZSHWGP-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCN(CC#N)C1 ZINC001269191832 813258346 /nfs/dbraw/zinc/25/83/46/813258346.db2.gz DJJAMWDMNGOIGS-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC(=O)NCC)C1 ZINC001269233511 813279943 /nfs/dbraw/zinc/27/99/43/813279943.db2.gz ITTSTQWMWDJZDE-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC(=O)NCC)C1 ZINC001269233511 813279951 /nfs/dbraw/zinc/27/99/51/813279951.db2.gz ITTSTQWMWDJZDE-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001269240701 813284466 /nfs/dbraw/zinc/28/44/66/813284466.db2.gz NIZDOPVVNFANGV-RYUDHWBXSA-N 1 2 293.367 0.338 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001269240701 813284473 /nfs/dbraw/zinc/28/44/73/813284473.db2.gz NIZDOPVVNFANGV-RYUDHWBXSA-N 1 2 293.367 0.338 20 30 CCEDLO C#CCN1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001269569316 813425889 /nfs/dbraw/zinc/42/58/89/813425889.db2.gz PGLQUDUROOHMED-OAHLLOKOSA-N 1 2 286.335 0.036 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cnccn2)C1 ZINC001269752108 813492314 /nfs/dbraw/zinc/49/23/14/813492314.db2.gz XZXTUTZIDGZADD-UHFFFAOYSA-N 1 2 276.340 0.435 20 30 CCEDLO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776231 813973282 /nfs/dbraw/zinc/97/32/82/813973282.db2.gz CMPIHQQXXUWYTF-DZGCQCFKSA-N 1 2 299.378 0.261 20 30 CCEDLO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776231 813973290 /nfs/dbraw/zinc/97/32/90/813973290.db2.gz CMPIHQQXXUWYTF-DZGCQCFKSA-N 1 2 299.378 0.261 20 30 CCEDLO C=CCN1CC[C@]2(CCCN2C(=O)C[NH+]2CCC2)C1=O ZINC001271012583 814115718 /nfs/dbraw/zinc/11/57/18/814115718.db2.gz USTUXSJTOOAHCM-OAHLLOKOSA-N 1 2 277.368 0.472 20 30 CCEDLO N#CCNC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001271044750 814128297 /nfs/dbraw/zinc/12/82/97/814128297.db2.gz VYISVODVTLZNAL-UHFFFAOYSA-N 1 2 291.355 0.121 20 30 CCEDLO N#CCNC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001271044750 814128302 /nfs/dbraw/zinc/12/83/02/814128302.db2.gz VYISVODVTLZNAL-UHFFFAOYSA-N 1 2 291.355 0.121 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029552761 814418156 /nfs/dbraw/zinc/41/81/56/814418156.db2.gz CNKFEPUDMHOPTJ-TXEJJXNPSA-N 1 2 273.340 0.161 20 30 CCEDLO C[C@H](F)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001271671306 814511881 /nfs/dbraw/zinc/51/18/81/814511881.db2.gz HALCWJUMKNLAPP-NSHDSACASA-N 1 2 290.342 0.899 20 30 CCEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001271960178 814652593 /nfs/dbraw/zinc/65/25/93/814652593.db2.gz YUPPRLSPPNHOAG-AWEZNQCLSA-N 1 2 268.332 0.312 20 30 CCEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271960178 814652596 /nfs/dbraw/zinc/65/25/96/814652596.db2.gz YUPPRLSPPNHOAG-AWEZNQCLSA-N 1 2 268.332 0.312 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001127039976 815590348 /nfs/dbraw/zinc/59/03/48/815590348.db2.gz VWPCGQKJSLRIMM-NSHDSACASA-N 1 2 291.351 0.796 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001077445593 815653697 /nfs/dbraw/zinc/65/36/97/815653697.db2.gz WWTCCJIJOBZIGI-TZMCWYRMSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001077445593 815653699 /nfs/dbraw/zinc/65/36/99/815653699.db2.gz WWTCCJIJOBZIGI-TZMCWYRMSA-N 1 2 290.367 0.262 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105806275 815857049 /nfs/dbraw/zinc/85/70/49/815857049.db2.gz TXONLYBCFUPEOW-FZMZJTMJSA-N 1 2 294.355 0.001 20 30 CCEDLO C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)O1 ZINC001030196184 815880471 /nfs/dbraw/zinc/88/04/71/815880471.db2.gz LASMZBNKHYCLAH-GWCFXTLKSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CCOC)c2C)C1 ZINC001030308460 815969516 /nfs/dbraw/zinc/96/95/16/815969516.db2.gz GYCPWCMGLNWETD-UHFFFAOYSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C)CC3)C2)nn1 ZINC001098676667 815980315 /nfs/dbraw/zinc/98/03/15/815980315.db2.gz RYGHKBOIGVOHGT-CYBMUJFWSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001030357604 815994109 /nfs/dbraw/zinc/99/41/09/815994109.db2.gz JWJPLWVQHGMCAO-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC001030370379 815999759 /nfs/dbraw/zinc/99/97/59/815999759.db2.gz CMCFOULSBUMIFB-UHFFFAOYSA-N 1 2 260.341 0.901 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001030456510 816046405 /nfs/dbraw/zinc/04/64/05/816046405.db2.gz JSMYFRHIRCNKQU-HNNXBMFYSA-N 1 2 299.374 0.890 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001030763855 816274080 /nfs/dbraw/zinc/27/40/80/816274080.db2.gz QRDQNFCEGXXTJN-UHFFFAOYSA-N 1 2 284.359 0.988 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001077491411 816281225 /nfs/dbraw/zinc/28/12/25/816281225.db2.gz ZKZOQGATQDQKGA-HZPDHXFCSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001077491411 816281230 /nfs/dbraw/zinc/28/12/30/816281230.db2.gz ZKZOQGATQDQKGA-HZPDHXFCSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC001030835773 816331224 /nfs/dbraw/zinc/33/12/24/816331224.db2.gz AZMVKUJJWGSZNC-BXUZGUMPSA-N 1 2 286.379 0.899 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001030837538 816332228 /nfs/dbraw/zinc/33/22/28/816332228.db2.gz PAZKCAMFBSEFSZ-UHFFFAOYSA-N 1 2 282.347 0.929 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839841 816333669 /nfs/dbraw/zinc/33/36/69/816333669.db2.gz SKOIFIDJMXWCLZ-HNNXBMFYSA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CCN1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839841 816333678 /nfs/dbraw/zinc/33/36/78/816333678.db2.gz SKOIFIDJMXWCLZ-HNNXBMFYSA-N 1 2 295.427 0.862 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001272348582 816349949 /nfs/dbraw/zinc/34/99/49/816349949.db2.gz NOQQWSBZCQVGEB-UHFFFAOYSA-N 1 2 294.395 0.801 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001272348582 816349956 /nfs/dbraw/zinc/34/99/56/816349956.db2.gz NOQQWSBZCQVGEB-UHFFFAOYSA-N 1 2 294.395 0.801 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001030860788 816359012 /nfs/dbraw/zinc/35/90/12/816359012.db2.gz AYFPMBYAQOPULT-NSHDSACASA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038568811 816438650 /nfs/dbraw/zinc/43/86/50/816438650.db2.gz PDBRNPHQEYJHJJ-LBPRGKRZSA-N 1 2 260.341 0.474 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038568811 816438652 /nfs/dbraw/zinc/43/86/52/816438652.db2.gz PDBRNPHQEYJHJJ-LBPRGKRZSA-N 1 2 260.341 0.474 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nnn(CC)c2CC)C1 ZINC001030945157 816478190 /nfs/dbraw/zinc/47/81/90/816478190.db2.gz IBNVXVBJZKADME-UHFFFAOYSA-N 1 2 275.356 0.298 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CCNCC#N)C1 ZINC001272504072 816518014 /nfs/dbraw/zinc/51/80/14/816518014.db2.gz XPIRXDJTZRZYHF-ZDUSSCGKSA-N 1 2 289.383 0.704 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001031071666 816625725 /nfs/dbraw/zinc/62/57/25/816625725.db2.gz YQEDECZSECIHGP-GFCCVEGCSA-N 1 2 293.371 0.303 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031088742 816634864 /nfs/dbraw/zinc/63/48/64/816634864.db2.gz JOMLDKIMXLSHMM-UBHSHLNASA-N 1 2 282.384 0.803 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001031117287 816661378 /nfs/dbraw/zinc/66/13/78/816661378.db2.gz GZGNNBWGQZHMEC-UHFFFAOYSA-N 1 2 276.340 0.253 20 30 CCEDLO O=C(Cc1[nH]cc[nH+]1)NC1CN(CC#Cc2ccccc2)C1 ZINC001031145124 816697289 /nfs/dbraw/zinc/69/72/89/816697289.db2.gz LKYKWKYIVFRDPX-UHFFFAOYSA-N 1 2 294.358 0.804 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001031160851 816720313 /nfs/dbraw/zinc/72/03/13/816720313.db2.gz ZGSGUQBTYFQUBN-AWEZNQCLSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001031245774 816879551 /nfs/dbraw/zinc/87/95/51/816879551.db2.gz KHSCJNOYPUGSRV-UHFFFAOYSA-N 1 2 281.319 0.315 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001031249143 816887924 /nfs/dbraw/zinc/88/79/24/816887924.db2.gz STGYCQKFKDKKOU-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829345 816940697 /nfs/dbraw/zinc/94/06/97/816940697.db2.gz OTCMYWDIODCRFQ-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCOC)c2)C1 ZINC001031320670 816977048 /nfs/dbraw/zinc/97/70/48/816977048.db2.gz DYGDDSJIXNPZHU-UHFFFAOYSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1[nH]c[nH+]c1C)C2 ZINC001272661234 816979349 /nfs/dbraw/zinc/97/93/49/816979349.db2.gz MHCRVVAFXAWRKT-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](O)C1 ZINC001083750216 816982516 /nfs/dbraw/zinc/98/25/16/816982516.db2.gz KPUJOMLJRGBVIR-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](O)C1 ZINC001083750216 816982521 /nfs/dbraw/zinc/98/25/21/816982521.db2.gz KPUJOMLJRGBVIR-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001031331320 816985670 /nfs/dbraw/zinc/98/56/70/816985670.db2.gz OYSYPJJWLSPNAJ-UHFFFAOYSA-N 1 2 282.347 0.929 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001031348048 816993606 /nfs/dbraw/zinc/99/36/06/816993606.db2.gz WCAHPEIWWPCEKZ-OAHLLOKOSA-N 1 2 286.331 0.650 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001031376732 817011684 /nfs/dbraw/zinc/01/16/84/817011684.db2.gz YZPTUHZXHNTAGS-UHFFFAOYSA-N 1 2 271.324 0.948 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001031415216 817042367 /nfs/dbraw/zinc/04/23/67/817042367.db2.gz WWBDAIUGSYOIJO-UHFFFAOYSA-N 1 2 289.383 0.612 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001031428340 817051571 /nfs/dbraw/zinc/05/15/71/817051571.db2.gz JOQGBKNOTVWWRR-AWEZNQCLSA-N 1 2 291.395 0.601 20 30 CCEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](CCO)C2)cc1 ZINC001031450050 817060912 /nfs/dbraw/zinc/06/09/12/817060912.db2.gz KHFPFFALWLXVOW-UHFFFAOYSA-N 1 2 290.363 0.587 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001031952045 817487567 /nfs/dbraw/zinc/48/75/67/817487567.db2.gz WJBRMJQPACCJKH-CQSZACIVSA-N 1 2 291.395 0.669 20 30 CCEDLO CCN(CCNc1cnc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106960975 817512580 /nfs/dbraw/zinc/51/25/80/817512580.db2.gz DDCQPYPHLHFHKX-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CCN(CCNc1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001106960954 817512946 /nfs/dbraw/zinc/51/29/46/817512946.db2.gz BSMXEVFHFBLWOQ-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001124901539 817627818 /nfs/dbraw/zinc/62/78/18/817627818.db2.gz ALJQRNXIKUSTQJ-SNVBAGLBSA-N 1 2 276.340 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)n1 ZINC001032278995 817777507 /nfs/dbraw/zinc/77/75/07/817777507.db2.gz UXDWYGDFPITVIG-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)n1 ZINC001032278995 817777511 /nfs/dbraw/zinc/77/75/11/817777511.db2.gz UXDWYGDFPITVIG-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCOC)nn2)C1 ZINC001107135580 817789234 /nfs/dbraw/zinc/78/92/34/817789234.db2.gz VXMWVTDWLOSFCT-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OC ZINC001032307422 817832045 /nfs/dbraw/zinc/83/20/45/817832045.db2.gz NAHLVFGZWQXQLD-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OC ZINC001032307422 817832056 /nfs/dbraw/zinc/83/20/56/817832056.db2.gz NAHLVFGZWQXQLD-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766350 817993111 /nfs/dbraw/zinc/99/31/11/817993111.db2.gz QPENQVNIQOUFBX-DZGCQCFKSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766350 817993115 /nfs/dbraw/zinc/99/31/15/817993115.db2.gz QPENQVNIQOUFBX-DZGCQCFKSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001107781440 817999988 /nfs/dbraw/zinc/99/99/88/817999988.db2.gz GDZSFRVOTZKXAK-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001107781440 817999993 /nfs/dbraw/zinc/99/99/93/817999993.db2.gz GDZSFRVOTZKXAK-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001077699046 818024026 /nfs/dbraw/zinc/02/40/26/818024026.db2.gz NHIDUHIZFJREDF-AAVRWANBSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001077699046 818024036 /nfs/dbraw/zinc/02/40/36/818024036.db2.gz NHIDUHIZFJREDF-AAVRWANBSA-N 1 2 264.369 0.463 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC)cn1 ZINC001032818653 818063336 /nfs/dbraw/zinc/06/33/36/818063336.db2.gz KUWOUVUSCDVWKN-RYUDHWBXSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC)cn1 ZINC001032818653 818063344 /nfs/dbraw/zinc/06/33/44/818063344.db2.gz KUWOUVUSCDVWKN-RYUDHWBXSA-N 1 2 288.351 0.960 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090073766 818464012 /nfs/dbraw/zinc/46/40/12/818464012.db2.gz QMLLQIFQVDQJSO-VXGBXAGGSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090073766 818464017 /nfs/dbraw/zinc/46/40/17/818464017.db2.gz QMLLQIFQVDQJSO-VXGBXAGGSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001033123448 818550063 /nfs/dbraw/zinc/55/00/63/818550063.db2.gz JRRNLTDKGPWBFL-NEPJUHHUSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001033123448 818550072 /nfs/dbraw/zinc/55/00/72/818550072.db2.gz JRRNLTDKGPWBFL-NEPJUHHUSA-N 1 2 299.802 0.750 20 30 CCEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(CC#N)C1 ZINC001033212017 818653022 /nfs/dbraw/zinc/65/30/22/818653022.db2.gz OLKRHGXJQDWQJV-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751455 818668381 /nfs/dbraw/zinc/66/83/81/818668381.db2.gz TXPKFEXAVRIPEN-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCN(CC#N)C1 ZINC001033621883 818855594 /nfs/dbraw/zinc/85/55/94/818855594.db2.gz ZMHOIKFDMQMDPX-NSHDSACASA-N 1 2 261.329 0.317 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sc(CC)nc2C)[C@@H](O)C1 ZINC001083856785 818920990 /nfs/dbraw/zinc/92/09/90/818920990.db2.gz PDCQGSUSWHKVMS-MNOVXSKESA-N 1 2 295.408 0.975 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(CC)nc2C)[C@@H](O)C1 ZINC001083856785 818920994 /nfs/dbraw/zinc/92/09/94/818920994.db2.gz PDCQGSUSWHKVMS-MNOVXSKESA-N 1 2 295.408 0.975 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090195678 819119247 /nfs/dbraw/zinc/11/92/47/819119247.db2.gz WUQQRXYHEWRCHB-OLZOCXBDSA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 ZINC001090195678 819119248 /nfs/dbraw/zinc/11/92/48/819119248.db2.gz WUQQRXYHEWRCHB-OLZOCXBDSA-N 1 2 297.786 0.943 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001034293396 819157153 /nfs/dbraw/zinc/15/71/53/819157153.db2.gz MYPWAZOOWMKRHJ-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001034293396 819157155 /nfs/dbraw/zinc/15/71/55/819157155.db2.gz MYPWAZOOWMKRHJ-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001034293396 819157156 /nfs/dbraw/zinc/15/71/56/819157156.db2.gz MYPWAZOOWMKRHJ-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001034293396 819157158 /nfs/dbraw/zinc/15/71/58/819157158.db2.gz MYPWAZOOWMKRHJ-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216910 819216889 /nfs/dbraw/zinc/21/68/89/819216889.db2.gz ORIDFEFEXXWEEF-NEPJUHHUSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216910 819216896 /nfs/dbraw/zinc/21/68/96/819216896.db2.gz ORIDFEFEXXWEEF-NEPJUHHUSA-N 1 2 296.758 0.394 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2csnn2)CCC1 ZINC001129120962 819420377 /nfs/dbraw/zinc/42/03/77/819420377.db2.gz KUQRNNJHLJEKHC-UHFFFAOYSA-N 1 2 278.381 0.938 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035283075 819448221 /nfs/dbraw/zinc/44/82/21/819448221.db2.gz NRSBVAJUOUMDMO-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035283075 819448225 /nfs/dbraw/zinc/44/82/25/819448225.db2.gz NRSBVAJUOUMDMO-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035324050 819469974 /nfs/dbraw/zinc/46/99/74/819469974.db2.gz YGLMYSMBUDZQPZ-LLVKDONJSA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035324050 819469980 /nfs/dbraw/zinc/46/99/80/819469980.db2.gz YGLMYSMBUDZQPZ-LLVKDONJSA-N 1 2 277.324 0.404 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035325023 819472653 /nfs/dbraw/zinc/47/26/53/819472653.db2.gz WKAZPLNYIUHIED-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035325023 819472658 /nfs/dbraw/zinc/47/26/58/819472658.db2.gz WKAZPLNYIUHIED-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035337628 819479460 /nfs/dbraw/zinc/47/94/60/819479460.db2.gz WBPSSLRCKGCKGU-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035337628 819479466 /nfs/dbraw/zinc/47/94/66/819479466.db2.gz WBPSSLRCKGCKGU-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001035342749 819482798 /nfs/dbraw/zinc/48/27/98/819482798.db2.gz QECNRJFRMDBAMW-AWEZNQCLSA-N 1 2 280.368 0.726 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001035342749 819482802 /nfs/dbraw/zinc/48/28/02/819482802.db2.gz QECNRJFRMDBAMW-AWEZNQCLSA-N 1 2 280.368 0.726 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC001035424466 819511767 /nfs/dbraw/zinc/51/17/67/819511767.db2.gz SRNXZRHRFJKZBG-ZDUSSCGKSA-N 1 2 296.346 0.469 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC001035424466 819511772 /nfs/dbraw/zinc/51/17/72/819511772.db2.gz SRNXZRHRFJKZBG-ZDUSSCGKSA-N 1 2 296.346 0.469 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431708 819522834 /nfs/dbraw/zinc/52/28/34/819522834.db2.gz JQHXQJRCPAERHL-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431708 819522840 /nfs/dbraw/zinc/52/28/40/819522840.db2.gz JQHXQJRCPAERHL-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncn2C)C1 ZINC001035432483 819523393 /nfs/dbraw/zinc/52/33/93/819523393.db2.gz VJOMCXPFCBCYOL-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncn2C)C1 ZINC001035432483 819523396 /nfs/dbraw/zinc/52/33/96/819523396.db2.gz VJOMCXPFCBCYOL-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C#CCN1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001035448770 819526852 /nfs/dbraw/zinc/52/68/52/819526852.db2.gz QRHFUWXJUMPNGU-CYBMUJFWSA-N 1 2 298.346 0.398 20 30 CCEDLO N#CCN1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001035448034 819527209 /nfs/dbraw/zinc/52/72/09/819527209.db2.gz MBUKSNDJZHBOPJ-LBPRGKRZSA-N 1 2 299.334 0.288 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001035475541 819530560 /nfs/dbraw/zinc/53/05/60/819530560.db2.gz PYCLTTJAVIZNKD-IGQOVBAYSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001035475541 819530565 /nfs/dbraw/zinc/53/05/65/819530565.db2.gz PYCLTTJAVIZNKD-IGQOVBAYSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC001035554613 819567512 /nfs/dbraw/zinc/56/75/12/819567512.db2.gz XKPABDPETLAPFP-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC001035554613 819567514 /nfs/dbraw/zinc/56/75/14/819567514.db2.gz XKPABDPETLAPFP-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579514 819576267 /nfs/dbraw/zinc/57/62/67/819576267.db2.gz KCPXHJSQSIEKFG-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579514 819576272 /nfs/dbraw/zinc/57/62/72/819576272.db2.gz KCPXHJSQSIEKFG-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035781493 819622434 /nfs/dbraw/zinc/62/24/34/819622434.db2.gz FIAZRRZYRWTDOJ-UHFFFAOYSA-N 1 2 271.748 0.149 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001036193240 819703727 /nfs/dbraw/zinc/70/37/27/819703727.db2.gz MKRPYOBOBAHNIB-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO COC(=O)c1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1CC#N ZINC001168760916 819777704 /nfs/dbraw/zinc/77/77/04/819777704.db2.gz IVHDIPQDLSFIPI-UHFFFAOYSA-N 1 2 287.279 0.284 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](O)C1 ZINC001083932164 820303319 /nfs/dbraw/zinc/30/33/19/820303319.db2.gz SSRJWDWARNJSRM-NEPJUHHUSA-N 1 2 292.383 0.802 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](O)C1 ZINC001083932164 820303326 /nfs/dbraw/zinc/30/33/26/820303326.db2.gz SSRJWDWARNJSRM-NEPJUHHUSA-N 1 2 292.383 0.802 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001118395402 820460218 /nfs/dbraw/zinc/46/02/18/820460218.db2.gz MJTUTBFIOYNNCB-GFCCVEGCSA-N 1 2 286.335 0.097 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001080392533 820557543 /nfs/dbraw/zinc/55/75/43/820557543.db2.gz IVWQSRBZQCZDES-UDZFHETQSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001080392533 820557549 /nfs/dbraw/zinc/55/75/49/820557549.db2.gz IVWQSRBZQCZDES-UDZFHETQSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001080772668 820634722 /nfs/dbraw/zinc/63/47/22/820634722.db2.gz CRYJCPXYTRJGDB-UHIISALHSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001080772668 820634729 /nfs/dbraw/zinc/63/47/29/820634729.db2.gz CRYJCPXYTRJGDB-UHIISALHSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001080772668 820634732 /nfs/dbraw/zinc/63/47/32/820634732.db2.gz CRYJCPXYTRJGDB-UHIISALHSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001080772668 820634734 /nfs/dbraw/zinc/63/47/34/820634734.db2.gz CRYJCPXYTRJGDB-UHIISALHSA-N 1 2 289.383 0.532 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001081381845 820740314 /nfs/dbraw/zinc/74/03/14/820740314.db2.gz ZRMGUQUZPKCRQK-UKRRQHHQSA-N 1 2 288.347 0.845 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001081381845 820740318 /nfs/dbraw/zinc/74/03/18/820740318.db2.gz ZRMGUQUZPKCRQK-UKRRQHHQSA-N 1 2 288.347 0.845 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@H](OC)C1 ZINC001081543539 820794051 /nfs/dbraw/zinc/79/40/51/820794051.db2.gz AOJWUVQJKINKMZ-JHJVBQTASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@H](OC)C1 ZINC001081543539 820794056 /nfs/dbraw/zinc/79/40/56/820794056.db2.gz AOJWUVQJKINKMZ-JHJVBQTASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001081635526 820800341 /nfs/dbraw/zinc/80/03/41/820800341.db2.gz FAKOFJVWDUGZBA-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001081635526 820800345 /nfs/dbraw/zinc/80/03/45/820800345.db2.gz FAKOFJVWDUGZBA-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001081599908 820803528 /nfs/dbraw/zinc/80/35/28/820803528.db2.gz RZAUUBFQYUSNDV-VXGBXAGGSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001081599908 820803533 /nfs/dbraw/zinc/80/35/33/820803533.db2.gz RZAUUBFQYUSNDV-VXGBXAGGSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H]2C1 ZINC001083038690 821123273 /nfs/dbraw/zinc/12/32/73/821123273.db2.gz MAVLZMQINTUHQV-XPABHHOTSA-N 1 2 274.364 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H]2C1 ZINC001083038690 821123277 /nfs/dbraw/zinc/12/32/77/821123277.db2.gz MAVLZMQINTUHQV-XPABHHOTSA-N 1 2 274.364 0.577 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CCOC3)[C@H]2C1 ZINC001083174567 821155959 /nfs/dbraw/zinc/15/59/59/821155959.db2.gz ODVFAWDPPKCSRH-OUCADQQQSA-N 1 2 284.331 0.213 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CCOC3)[C@H]2C1 ZINC001083174567 821155962 /nfs/dbraw/zinc/15/59/62/821155962.db2.gz ODVFAWDPPKCSRH-OUCADQQQSA-N 1 2 284.331 0.213 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)[C@@H](O)C1 ZINC001083936946 821158373 /nfs/dbraw/zinc/15/83/73/821158373.db2.gz DLUHMRZKPZZMJP-YUTCNCBUSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)[C@@H](O)C1 ZINC001083936946 821158377 /nfs/dbraw/zinc/15/83/77/821158377.db2.gz DLUHMRZKPZZMJP-YUTCNCBUSA-N 1 2 264.369 0.607 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](O)C1 ZINC001084037894 821181234 /nfs/dbraw/zinc/18/12/34/821181234.db2.gz QMOVOWMQWXIJIY-MNOVXSKESA-N 1 2 281.381 0.721 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](O)C1 ZINC001084037894 821181237 /nfs/dbraw/zinc/18/12/37/821181237.db2.gz QMOVOWMQWXIJIY-MNOVXSKESA-N 1 2 281.381 0.721 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](O)C1 ZINC001084071837 821193030 /nfs/dbraw/zinc/19/30/30/821193030.db2.gz NXCSARRZGSEUBC-MNOVXSKESA-N 1 2 281.381 0.721 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](O)C1 ZINC001084071837 821193034 /nfs/dbraw/zinc/19/30/34/821193034.db2.gz NXCSARRZGSEUBC-MNOVXSKESA-N 1 2 281.381 0.721 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084425899 821285357 /nfs/dbraw/zinc/28/53/57/821285357.db2.gz DLKABWCEXJFXAP-GHMZBOCLSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001084425899 821285364 /nfs/dbraw/zinc/28/53/64/821285364.db2.gz DLKABWCEXJFXAP-GHMZBOCLSA-N 1 2 299.802 0.783 20 30 CCEDLO C=CC[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC001119626778 821401404 /nfs/dbraw/zinc/40/14/04/821401404.db2.gz FOADWIAJVDXLHC-VHSXEESVSA-N 1 2 260.297 0.694 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000827603902 821683087 /nfs/dbraw/zinc/68/30/87/821683087.db2.gz XHKWZDUERQQHIX-UHFFFAOYSA-N 1 2 280.368 0.601 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000827603902 821683091 /nfs/dbraw/zinc/68/30/91/821683091.db2.gz XHKWZDUERQQHIX-UHFFFAOYSA-N 1 2 280.368 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001085546464 821780113 /nfs/dbraw/zinc/78/01/13/821780113.db2.gz ZFORNZMTKWDHQI-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001085546464 821780115 /nfs/dbraw/zinc/78/01/15/821780115.db2.gz ZFORNZMTKWDHQI-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085567048 821799470 /nfs/dbraw/zinc/79/94/70/821799470.db2.gz XWHUUTJJAIVJOH-CYBMUJFWSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085567048 821799475 /nfs/dbraw/zinc/79/94/75/821799475.db2.gz XWHUUTJJAIVJOH-CYBMUJFWSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CC(F)F ZINC001085596606 821842115 /nfs/dbraw/zinc/84/21/15/821842115.db2.gz FSFSHLMNVQVVDC-LLVKDONJSA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CC(F)F ZINC001085596606 821842125 /nfs/dbraw/zinc/84/21/25/821842125.db2.gz FSFSHLMNVQVVDC-LLVKDONJSA-N 1 2 296.321 0.928 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001085603728 821848030 /nfs/dbraw/zinc/84/80/30/821848030.db2.gz MWEAJNQQUQKKQW-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001085603728 821848045 /nfs/dbraw/zinc/84/80/45/821848045.db2.gz MWEAJNQQUQKKQW-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1COC ZINC001085681458 821892689 /nfs/dbraw/zinc/89/26/89/821892689.db2.gz ZCTKYSCIWQBJDI-LBPRGKRZSA-N 1 2 290.367 0.346 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1COC ZINC001085681458 821892700 /nfs/dbraw/zinc/89/27/00/821892700.db2.gz ZCTKYSCIWQBJDI-LBPRGKRZSA-N 1 2 290.367 0.346 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001085700357 821910460 /nfs/dbraw/zinc/91/04/60/821910460.db2.gz MSFJJKSDDGBLLE-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001085700357 821910472 /nfs/dbraw/zinc/91/04/72/821910472.db2.gz MSFJJKSDDGBLLE-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085723173 821920893 /nfs/dbraw/zinc/92/08/93/821920893.db2.gz QMWQMPATWMHNAZ-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085723173 821920901 /nfs/dbraw/zinc/92/09/01/821920901.db2.gz QMWQMPATWMHNAZ-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)C(N)=O)cc1 ZINC001085756797 821935974 /nfs/dbraw/zinc/93/59/74/821935974.db2.gz QJXUQCIGXVCUTK-IUODEOHRSA-N 1 2 299.374 0.688 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)C(N)=O)cc1 ZINC001085756797 821935984 /nfs/dbraw/zinc/93/59/84/821935984.db2.gz QJXUQCIGXVCUTK-IUODEOHRSA-N 1 2 299.374 0.688 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085758006 821937998 /nfs/dbraw/zinc/93/79/98/821937998.db2.gz XANAQKIHRVNFEV-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085758006 821938003 /nfs/dbraw/zinc/93/80/03/821938003.db2.gz XANAQKIHRVNFEV-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cnn1C ZINC001085773238 821947683 /nfs/dbraw/zinc/94/76/83/821947683.db2.gz VZWIMRNTKIEOAW-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cnn1C ZINC001085773238 821947691 /nfs/dbraw/zinc/94/76/91/821947691.db2.gz VZWIMRNTKIEOAW-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001085787193 821950345 /nfs/dbraw/zinc/95/03/45/821950345.db2.gz INWRYSFRDKQOJW-SNVBAGLBSA-N 1 2 299.334 0.443 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001085787193 821950350 /nfs/dbraw/zinc/95/03/50/821950350.db2.gz INWRYSFRDKQOJW-SNVBAGLBSA-N 1 2 299.334 0.443 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085804326 821960427 /nfs/dbraw/zinc/96/04/27/821960427.db2.gz GWEHQDDVLIRIKI-JTQLQIEISA-N 1 2 264.304 0.718 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085804326 821960434 /nfs/dbraw/zinc/96/04/34/821960434.db2.gz GWEHQDDVLIRIKI-JTQLQIEISA-N 1 2 264.304 0.718 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085811670 821963650 /nfs/dbraw/zinc/96/36/50/821963650.db2.gz KIEHQUGVRDZLHS-LLVKDONJSA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)co1 ZINC001085811670 821963656 /nfs/dbraw/zinc/96/36/56/821963656.db2.gz KIEHQUGVRDZLHS-LLVKDONJSA-N 1 2 275.308 0.158 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001108267841 822217659 /nfs/dbraw/zinc/21/76/59/822217659.db2.gz KPCRGZFHYHHMEQ-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001108267841 822217665 /nfs/dbraw/zinc/21/76/65/822217665.db2.gz KPCRGZFHYHHMEQ-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108269393 822226433 /nfs/dbraw/zinc/22/64/33/822226433.db2.gz DRIJPCCGRTVRCO-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108269393 822226435 /nfs/dbraw/zinc/22/64/35/822226435.db2.gz DRIJPCCGRTVRCO-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccnn2)C1 ZINC001108297706 822333755 /nfs/dbraw/zinc/33/37/55/822333755.db2.gz JUCGIMDLEYNRTK-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccnn2)C1 ZINC001108297706 822333760 /nfs/dbraw/zinc/33/37/60/822333760.db2.gz JUCGIMDLEYNRTK-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114048525 837415750 /nfs/dbraw/zinc/41/57/50/837415750.db2.gz ZLNJWOQDSKLLCI-NHAGDIPZSA-N 1 2 291.351 0.732 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114048525 837415756 /nfs/dbraw/zinc/41/57/56/837415756.db2.gz ZLNJWOQDSKLLCI-NHAGDIPZSA-N 1 2 291.351 0.732 20 30 CCEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)co1 ZINC001114066899 837420670 /nfs/dbraw/zinc/42/06/70/837420670.db2.gz JSUPSAQKRTYEEJ-KMLBCRHOSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)co1 ZINC001114066899 837420672 /nfs/dbraw/zinc/42/06/72/837420672.db2.gz JSUPSAQKRTYEEJ-KMLBCRHOSA-N 1 2 274.324 0.689 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114055532 837422009 /nfs/dbraw/zinc/42/20/09/837422009.db2.gz YGMAVBRAAFVQKI-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114055532 837422013 /nfs/dbraw/zinc/42/20/13/837422013.db2.gz YGMAVBRAAFVQKI-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)no1 ZINC001114064824 837425575 /nfs/dbraw/zinc/42/55/75/837425575.db2.gz VTAOZNIVOQBISJ-HWNAMQAFSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)no1 ZINC001114064824 837425577 /nfs/dbraw/zinc/42/55/77/837425577.db2.gz VTAOZNIVOQBISJ-HWNAMQAFSA-N 1 2 274.324 0.689 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108408900 836041613 /nfs/dbraw/zinc/04/16/13/836041613.db2.gz PFYQJTJSIJEWOI-GOEBONIOSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108408900 836041617 /nfs/dbraw/zinc/04/16/17/836041617.db2.gz PFYQJTJSIJEWOI-GOEBONIOSA-N 1 2 296.411 0.889 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001108430859 836078650 /nfs/dbraw/zinc/07/86/50/836078650.db2.gz NXWKRLOWEYPXES-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nnc(C)c(C)c2C#N)C[NH2+]1 ZINC001169130475 836145056 /nfs/dbraw/zinc/14/50/56/836145056.db2.gz XJZIHGSQWDKGNE-KOLCDFICSA-N 1 2 275.312 0.281 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1Cl ZINC001156321197 836284806 /nfs/dbraw/zinc/28/48/06/836284806.db2.gz UDHBXMNRWQTEIT-QMMMGPOBSA-N 1 2 280.715 0.823 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485851 836286958 /nfs/dbraw/zinc/28/69/58/836286958.db2.gz OVEWEOQKWQCLTQ-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C=C/C3CC3)CC2=O)C1 ZINC001108530952 836428511 /nfs/dbraw/zinc/42/85/11/836428511.db2.gz WCBLVXQZBNINIW-URWSZGRFSA-N 1 2 289.379 0.540 20 30 CCEDLO Cc1nc(N(C)C[C@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001108868875 836560956 /nfs/dbraw/zinc/56/09/56/836560956.db2.gz GYWQHFDVZARBEO-JTQLQIEISA-N 1 2 293.396 0.983 20 30 CCEDLO C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056804 836609748 /nfs/dbraw/zinc/60/97/48/836609748.db2.gz HDTFKAAKBLISGB-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102621 836615047 /nfs/dbraw/zinc/61/50/47/836615047.db2.gz WKUGHTDNHSTYGW-GFCCVEGCSA-N 1 2 290.367 0.766 20 30 CCEDLO CN(CCCNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506661 836691795 /nfs/dbraw/zinc/69/17/95/836691795.db2.gz NNMBZURWLJJGIN-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109683345 836714687 /nfs/dbraw/zinc/71/46/87/836714687.db2.gz HQWZYFQUAVGLEA-YXMPFFBPSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109683345 836714695 /nfs/dbraw/zinc/71/46/95/836714695.db2.gz HQWZYFQUAVGLEA-YXMPFFBPSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001112704192 836874865 /nfs/dbraw/zinc/87/48/65/836874865.db2.gz PTNHEFASLREGJP-UHFFFAOYSA-N 1 2 292.383 0.309 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112830001 836934191 /nfs/dbraw/zinc/93/41/91/836934191.db2.gz UPYZQZCVSUBIQU-UHFFFAOYSA-N 1 2 274.368 0.687 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC001112872653 836948770 /nfs/dbraw/zinc/94/87/70/836948770.db2.gz ZDLDTRVWCUPTIJ-UHFFFAOYSA-N 1 2 288.351 0.142 20 30 CCEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154722 837039638 /nfs/dbraw/zinc/03/96/38/837039638.db2.gz IMZQWUZWTNAIBY-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccncc1C#N ZINC001113154501 837040102 /nfs/dbraw/zinc/04/01/02/837040102.db2.gz FGQYVPVDCCVRLS-QWRGUYRKSA-N 1 2 298.350 0.646 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113190754 837048828 /nfs/dbraw/zinc/04/88/28/837048828.db2.gz UCJAHRRERQVBLY-UHFFFAOYSA-N 1 2 270.373 0.352 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](COC)OC)CC1 ZINC001113328898 837088549 /nfs/dbraw/zinc/08/85/49/837088549.db2.gz RCQQTAGOJBYLQV-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)nn1 ZINC001113645099 837187298 /nfs/dbraw/zinc/18/72/98/837187298.db2.gz SBOHBQVOGAMEPE-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113723754 837205886 /nfs/dbraw/zinc/20/58/86/837205886.db2.gz UMWQYRFNFSEFJB-GFCCVEGCSA-N 1 2 290.367 0.766 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)nn1 ZINC001113898394 837357749 /nfs/dbraw/zinc/35/77/49/837357749.db2.gz STESMJKIGLGAJO-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131736448 838197883 /nfs/dbraw/zinc/19/78/83/838197883.db2.gz YKEOAJDGMMQSHL-GHMZBOCLSA-N 1 2 274.311 0.870 20 30 CCEDLO COCC#CC[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131736448 838197888 /nfs/dbraw/zinc/19/78/88/838197888.db2.gz YKEOAJDGMMQSHL-GHMZBOCLSA-N 1 2 274.311 0.870 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132022287 838292946 /nfs/dbraw/zinc/29/29/46/838292946.db2.gz XSQULXQOHLXKLL-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132022287 838292955 /nfs/dbraw/zinc/29/29/55/838292955.db2.gz XSQULXQOHLXKLL-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)no2)cc1 ZINC001132215946 838339074 /nfs/dbraw/zinc/33/90/74/838339074.db2.gz SQFVKFRRVUXNTG-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nccc(C)n2)c1 ZINC001133593342 838676710 /nfs/dbraw/zinc/67/67/10/838676710.db2.gz ZVRBOLLDKQNMND-UHFFFAOYSA-N 1 2 295.346 0.681 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)c1 ZINC001133597409 838678206 /nfs/dbraw/zinc/67/82/06/838678206.db2.gz RCCTUXNEUCJJDG-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO C[C@@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)NCC#N ZINC001135074340 839151880 /nfs/dbraw/zinc/15/18/80/839151880.db2.gz MCOCASDUZZQWQJ-RYUDHWBXSA-N 1 2 277.372 0.749 20 30 CCEDLO C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)NCC#N ZINC001135131324 839167267 /nfs/dbraw/zinc/16/72/67/839167267.db2.gz GFENAEIYISDBRO-NEPJUHHUSA-N 1 2 263.345 0.670 20 30 CCEDLO C#CC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001143906890 839889377 /nfs/dbraw/zinc/88/93/77/839889377.db2.gz CAKCVPNKIAFKJL-ZDUSSCGKSA-N 1 2 296.330 0.949 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)nn1 ZINC000690428193 840064256 /nfs/dbraw/zinc/06/42/56/840064256.db2.gz DAZZEZBBFKNCHX-AWEZNQCLSA-N 1 2 271.324 0.852 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nn1 ZINC000690428193 840064263 /nfs/dbraw/zinc/06/42/63/840064263.db2.gz DAZZEZBBFKNCHX-AWEZNQCLSA-N 1 2 271.324 0.852 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 ZINC001092229184 841002714 /nfs/dbraw/zinc/00/27/14/841002714.db2.gz GHUOINUVILRTAD-DOMZBBRYSA-N 1 2 287.367 0.565 20 30 CCEDLO Cc1nc(NCCNC(=O)CSCC#N)cc[nH+]1 ZINC001093525720 841308003 /nfs/dbraw/zinc/30/80/03/841308003.db2.gz WKUPJHWYTHJSPV-UHFFFAOYSA-N 1 2 265.342 0.570 20 30 CCEDLO C=CCOCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093555498 841328735 /nfs/dbraw/zinc/32/87/35/841328735.db2.gz TVBPMCGMBJSIJA-UHFFFAOYSA-N 1 2 250.302 0.516 20 30 CCEDLO C[N@@H+]1CCc2ncnc(NCCNC(=O)C#CC3CC3)c2C1 ZINC001093610090 841381786 /nfs/dbraw/zinc/38/17/86/841381786.db2.gz IRBXCQNIWPEGML-UHFFFAOYSA-N 1 2 299.378 0.406 20 30 CCEDLO C[N@H+]1CCc2ncnc(NCCNC(=O)C#CC3CC3)c2C1 ZINC001093610090 841381793 /nfs/dbraw/zinc/38/17/93/841381793.db2.gz IRBXCQNIWPEGML-UHFFFAOYSA-N 1 2 299.378 0.406 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1cncc(C#N)n1 ZINC001093785056 841456197 /nfs/dbraw/zinc/45/61/97/841456197.db2.gz LZBWXSUTCSXHSZ-UHFFFAOYSA-N 1 2 299.338 0.243 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001094168210 841553402 /nfs/dbraw/zinc/55/34/02/841553402.db2.gz XPXVKOBTCCECKG-NSHDSACASA-N 1 2 299.338 0.724 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccncc1C#N ZINC001094188756 841561273 /nfs/dbraw/zinc/56/12/73/841561273.db2.gz MQJKBDSLCMAMNU-LLVKDONJSA-N 1 2 298.350 0.505 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccncc1C#N ZINC001094188756 841561280 /nfs/dbraw/zinc/56/12/80/841561280.db2.gz MQJKBDSLCMAMNU-LLVKDONJSA-N 1 2 298.350 0.505 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC34CC4)nn2)C1 ZINC001094322646 841615219 /nfs/dbraw/zinc/61/52/19/841615219.db2.gz IDXITQXVMVLNDL-CQSZACIVSA-N 1 2 299.378 0.574 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036907432 841682834 /nfs/dbraw/zinc/68/28/34/841682834.db2.gz WSWGBSMZCYEYGR-OLZOCXBDSA-N 1 2 273.340 0.329 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC34CC4)CC2=O)C1 ZINC001094791953 841721784 /nfs/dbraw/zinc/72/17/84/841721784.db2.gz IVRGYHYDTOTLSO-DGCLKSJQSA-N 1 2 289.379 0.374 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172150389 841863152 /nfs/dbraw/zinc/86/31/52/841863152.db2.gz NPZXCVJPOXTKAO-AEJSXWLSSA-N 1 2 272.370 0.201 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001174798193 842212672 /nfs/dbraw/zinc/21/26/72/842212672.db2.gz MXLLKLJCRMKQEY-MRVPVSSYSA-N 1 2 276.383 0.324 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)CC(C)C ZINC001176385849 842362836 /nfs/dbraw/zinc/36/28/36/842362836.db2.gz YFGASYUQXRJQIE-DGCLKSJQSA-N 1 2 291.355 0.511 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)CC(C)C ZINC001176385849 842362843 /nfs/dbraw/zinc/36/28/43/842362843.db2.gz YFGASYUQXRJQIE-DGCLKSJQSA-N 1 2 291.355 0.511 20 30 CCEDLO C#Cc1cc(Nc2cnn(CCS(C)(=O)=O)c2)cc[nH+]1 ZINC001249672300 842448978 /nfs/dbraw/zinc/44/89/78/842448978.db2.gz FKQYKHCUWJRBQW-UHFFFAOYSA-N 1 2 290.348 0.470 20 30 CCEDLO CO/N=C(\C(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC001177346926 842561525 /nfs/dbraw/zinc/56/15/25/842561525.db2.gz HQYXARQDKPQAEL-QBFSEMIESA-N 1 2 251.286 0.404 20 30 CCEDLO N#Cc1cccnc1NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001110206850 842575157 /nfs/dbraw/zinc/57/51/57/842575157.db2.gz HTLFBRHRVIIVFE-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119242 842763725 /nfs/dbraw/zinc/76/37/25/842763725.db2.gz LRZJMPXFVKCITK-NSHDSACASA-N 1 2 277.324 0.681 20 30 CCEDLO Cc1[nH]c(NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC001180755846 843272611 /nfs/dbraw/zinc/27/26/11/843272611.db2.gz RZFJZRYIGFDZJQ-NSHDSACASA-N 1 2 262.313 0.772 20 30 CCEDLO Cc1[nH]c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC001180755846 843272621 /nfs/dbraw/zinc/27/26/21/843272621.db2.gz RZFJZRYIGFDZJQ-NSHDSACASA-N 1 2 262.313 0.772 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccccc2)C1 ZINC001180756172 843275662 /nfs/dbraw/zinc/27/56/62/843275662.db2.gz WITHQZGJTPHTCA-OLZOCXBDSA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccccc2)C1 ZINC001180756172 843275669 /nfs/dbraw/zinc/27/56/69/843275669.db2.gz WITHQZGJTPHTCA-OLZOCXBDSA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)C1 ZINC001181196147 843422171 /nfs/dbraw/zinc/42/21/71/843422171.db2.gz XEDHZLBVFGRWNO-ZDUSSCGKSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)C1 ZINC001181196147 843422174 /nfs/dbraw/zinc/42/21/74/843422174.db2.gz XEDHZLBVFGRWNO-ZDUSSCGKSA-N 1 2 291.326 0.687 20 30 CCEDLO N#CNC(=NC(=O)Cc1cc[nH+]c(N)c1)c1ccncc1 ZINC001181266446 843438580 /nfs/dbraw/zinc/43/85/80/843438580.db2.gz ZACQGYPBLVOULO-UHFFFAOYSA-N 1 2 280.291 0.645 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001181598987 843545191 /nfs/dbraw/zinc/54/51/91/843545191.db2.gz KUODLNPDPJSMNH-CMPLNLGQSA-N 1 2 294.355 0.832 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110432016 845536773 /nfs/dbraw/zinc/53/67/73/845536773.db2.gz NALUZLRAERJMLY-XQDQGMHRSA-N 1 2 290.367 0.314 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110432016 845536777 /nfs/dbraw/zinc/53/67/77/845536777.db2.gz NALUZLRAERJMLY-XQDQGMHRSA-N 1 2 290.367 0.314 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191888224 845752672 /nfs/dbraw/zinc/75/26/72/845752672.db2.gz LSKDBDWRAWMQBY-GHMZBOCLSA-N 1 2 268.357 0.339 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191888224 845752675 /nfs/dbraw/zinc/75/26/75/845752675.db2.gz LSKDBDWRAWMQBY-GHMZBOCLSA-N 1 2 268.357 0.339 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001193021043 845968181 /nfs/dbraw/zinc/96/81/81/845968181.db2.gz GNVXAMZSBZGMHX-SECBINFHSA-N 1 2 276.300 0.497 20 30 CCEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001193021043 845968188 /nfs/dbraw/zinc/96/81/88/845968188.db2.gz GNVXAMZSBZGMHX-SECBINFHSA-N 1 2 276.300 0.497 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001193834783 846162524 /nfs/dbraw/zinc/16/25/24/846162524.db2.gz FQZMLQIBNFOBBU-HZPDHXFCSA-N 1 2 298.386 0.804 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001193834783 846162535 /nfs/dbraw/zinc/16/25/35/846162535.db2.gz FQZMLQIBNFOBBU-HZPDHXFCSA-N 1 2 298.386 0.804 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001194137804 846232680 /nfs/dbraw/zinc/23/26/80/846232680.db2.gz ZTWIUQYRTIJKHX-BFHYXJOUSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001194137804 846232688 /nfs/dbraw/zinc/23/26/88/846232688.db2.gz ZTWIUQYRTIJKHX-BFHYXJOUSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001194298226 846255771 /nfs/dbraw/zinc/25/57/71/846255771.db2.gz BMGZRNXMIROUKT-CHWSQXEVSA-N 1 2 298.358 0.080 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001194298226 846255783 /nfs/dbraw/zinc/25/57/83/846255783.db2.gz BMGZRNXMIROUKT-CHWSQXEVSA-N 1 2 298.358 0.080 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001194700063 846347642 /nfs/dbraw/zinc/34/76/42/846347642.db2.gz YOQJMCDZOIIUBN-STQMWFEESA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001194700063 846347653 /nfs/dbraw/zinc/34/76/53/846347653.db2.gz YOQJMCDZOIIUBN-STQMWFEESA-N 1 2 279.384 0.479 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001195038841 846442654 /nfs/dbraw/zinc/44/26/54/846442654.db2.gz VEVOANSPLVDWMJ-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001195038841 846442663 /nfs/dbraw/zinc/44/26/63/846442663.db2.gz VEVOANSPLVDWMJ-KFWWJZLASA-N 1 2 294.395 0.376 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001195277519 846490757 /nfs/dbraw/zinc/49/07/57/846490757.db2.gz GQEZWSJCXPBOHJ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001195277519 846490762 /nfs/dbraw/zinc/49/07/62/846490762.db2.gz GQEZWSJCXPBOHJ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321214 846493004 /nfs/dbraw/zinc/49/30/04/846493004.db2.gz FRFGARQHAFNPHL-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321214 846493011 /nfs/dbraw/zinc/49/30/11/846493011.db2.gz FRFGARQHAFNPHL-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315120 846503820 /nfs/dbraw/zinc/50/38/20/846503820.db2.gz YWFIZAAELJOENU-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315120 846503829 /nfs/dbraw/zinc/50/38/29/846503829.db2.gz YWFIZAAELJOENU-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315078 846503877 /nfs/dbraw/zinc/50/38/77/846503877.db2.gz XEUADGKDOQRLOC-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315078 846503885 /nfs/dbraw/zinc/50/38/85/846503885.db2.gz XEUADGKDOQRLOC-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001273697745 846528968 /nfs/dbraw/zinc/52/89/68/846528968.db2.gz YMQVNLHGGPJHDH-KGLIPLIRSA-N 1 2 292.379 0.560 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196009571 846665337 /nfs/dbraw/zinc/66/53/37/846665337.db2.gz APPRFEFBLMGKPE-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196009571 846665345 /nfs/dbraw/zinc/66/53/45/846665345.db2.gz APPRFEFBLMGKPE-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NC)C2 ZINC001110478761 846725679 /nfs/dbraw/zinc/72/56/79/846725679.db2.gz JHDCSJZUCYUZMI-MXWKQRLJSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NC)C2 ZINC001110478761 846725684 /nfs/dbraw/zinc/72/56/84/846725684.db2.gz JHDCSJZUCYUZMI-MXWKQRLJSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001196826440 846807734 /nfs/dbraw/zinc/80/77/34/846807734.db2.gz CHFYSTTXSWBLHQ-IACUBPJLSA-N 1 2 292.383 0.326 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001196826440 846807738 /nfs/dbraw/zinc/80/77/38/846807738.db2.gz CHFYSTTXSWBLHQ-IACUBPJLSA-N 1 2 292.383 0.326 20 30 CCEDLO COC(C)(C)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273808504 847539997 /nfs/dbraw/zinc/53/99/97/847539997.db2.gz KHFOWJPRMLBERL-UHFFFAOYSA-N 1 2 295.383 0.628 20 30 CCEDLO CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031772 848311746 /nfs/dbraw/zinc/31/17/46/848311746.db2.gz ZXUWZNIAYMDUTC-XHDPSFHLSA-N 1 2 291.351 0.719 20 30 CCEDLO CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031772 848311752 /nfs/dbraw/zinc/31/17/52/848311752.db2.gz ZXUWZNIAYMDUTC-XHDPSFHLSA-N 1 2 291.351 0.719 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001275290683 848685966 /nfs/dbraw/zinc/68/59/66/848685966.db2.gz WUYNGJIWFSDAHZ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001275290683 848685969 /nfs/dbraw/zinc/68/59/69/848685969.db2.gz WUYNGJIWFSDAHZ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H](C)NC(=O)CSCC#N ZINC001275355030 848697913 /nfs/dbraw/zinc/69/79/13/848697913.db2.gz JFPSSGSUDIESKP-BDAKNGLRSA-N 1 2 299.425 0.778 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001095582713 848991488 /nfs/dbraw/zinc/99/14/88/848991488.db2.gz GSLMOYNJQDKXTN-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001095617824 848999384 /nfs/dbraw/zinc/99/93/84/848999384.db2.gz SFAQKPLPKXELNT-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2ccccc2)C[C@H]1CO ZINC000687594211 849122693 /nfs/dbraw/zinc/12/26/93/849122693.db2.gz FABSLWKOCSDAFW-AWEZNQCLSA-N 1 2 258.321 0.173 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2ccccc2)C[C@H]1CO ZINC000687594211 849122697 /nfs/dbraw/zinc/12/26/97/849122697.db2.gz FABSLWKOCSDAFW-AWEZNQCLSA-N 1 2 258.321 0.173 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000687624671 849131765 /nfs/dbraw/zinc/13/17/65/849131765.db2.gz SVGSQSYAGZOBKS-AKJDGMEZSA-N 1 2 251.330 0.061 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000687624671 849131770 /nfs/dbraw/zinc/13/17/70/849131770.db2.gz SVGSQSYAGZOBKS-AKJDGMEZSA-N 1 2 251.330 0.061 20 30 CCEDLO N#Cc1cc(F)cc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000720056852 849334008 /nfs/dbraw/zinc/33/40/08/849334008.db2.gz ZKDHRDNHFXGBSJ-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001276341539 849431796 /nfs/dbraw/zinc/43/17/96/849431796.db2.gz DSKFUQPKNUYXSK-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001037965653 849613405 /nfs/dbraw/zinc/61/34/05/849613405.db2.gz KMHGMDUDHHFYHG-TZMCWYRMSA-N 1 2 289.383 0.703 20 30 CCEDLO C=C[C@@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001253611794 849659308 /nfs/dbraw/zinc/65/93/08/849659308.db2.gz TYUQHWVLAFGJFF-NEPJUHHUSA-N 1 2 267.329 0.031 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ncn1 ZINC001038251569 849830906 /nfs/dbraw/zinc/83/09/06/849830906.db2.gz HDLJQGHERPWDOX-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ncn1 ZINC001038251569 849830908 /nfs/dbraw/zinc/83/09/08/849830908.db2.gz HDLJQGHERPWDOX-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038277514 849837070 /nfs/dbraw/zinc/83/70/70/849837070.db2.gz PVTDKXCAWGEDBH-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038277514 849837075 /nfs/dbraw/zinc/83/70/75/849837075.db2.gz PVTDKXCAWGEDBH-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001038309850 849845453 /nfs/dbraw/zinc/84/54/53/849845453.db2.gz DNWHZAXBVMHAJN-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001038309850 849845470 /nfs/dbraw/zinc/84/54/70/849845470.db2.gz DNWHZAXBVMHAJN-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001038367416 849866776 /nfs/dbraw/zinc/86/67/76/849866776.db2.gz OMACKTPKTHQGML-LBPRGKRZSA-N 1 2 288.351 0.241 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001038367416 849866785 /nfs/dbraw/zinc/86/67/85/849866785.db2.gz OMACKTPKTHQGML-LBPRGKRZSA-N 1 2 288.351 0.241 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038432848 849896479 /nfs/dbraw/zinc/89/64/79/849896479.db2.gz YQCSIQXCONSRGL-HIFRSBDPSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038432848 849896486 /nfs/dbraw/zinc/89/64/86/849896486.db2.gz YQCSIQXCONSRGL-HIFRSBDPSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038432851 849897073 /nfs/dbraw/zinc/89/70/73/849897073.db2.gz YQCSIQXCONSRGL-ZFWWWQNUSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038432851 849897078 /nfs/dbraw/zinc/89/70/78/849897078.db2.gz YQCSIQXCONSRGL-ZFWWWQNUSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038443637 849901895 /nfs/dbraw/zinc/90/18/95/849901895.db2.gz VFTFWORKUUMQLV-SNVBAGLBSA-N 1 2 258.325 0.336 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038443637 849901898 /nfs/dbraw/zinc/90/18/98/849901898.db2.gz VFTFWORKUUMQLV-SNVBAGLBSA-N 1 2 258.325 0.336 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001038510102 849927232 /nfs/dbraw/zinc/92/72/32/849927232.db2.gz IOLJDXUNSKWXTL-LLVKDONJSA-N 1 2 269.308 0.662 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038692235 849983096 /nfs/dbraw/zinc/98/30/96/849983096.db2.gz MJWKGOZEFCVZJW-JTQLQIEISA-N 1 2 263.297 0.369 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038692235 849983101 /nfs/dbraw/zinc/98/31/01/849983101.db2.gz MJWKGOZEFCVZJW-JTQLQIEISA-N 1 2 263.297 0.369 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001038703603 849988427 /nfs/dbraw/zinc/98/84/27/849988427.db2.gz KSNXMLCGNGRELR-DZGCQCFKSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001038703603 849988430 /nfs/dbraw/zinc/98/84/30/849988430.db2.gz KSNXMLCGNGRELR-DZGCQCFKSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001038725057 849996861 /nfs/dbraw/zinc/99/68/61/849996861.db2.gz KOJAWEPTQJTXIH-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001038725057 849996869 /nfs/dbraw/zinc/99/68/69/849996869.db2.gz KOJAWEPTQJTXIH-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001038720184 849996916 /nfs/dbraw/zinc/99/69/16/849996916.db2.gz LCOSUTQEXFDGLH-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001038720184 849996923 /nfs/dbraw/zinc/99/69/23/849996923.db2.gz LCOSUTQEXFDGLH-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1Br ZINC001038818401 850026775 /nfs/dbraw/zinc/02/67/75/850026775.db2.gz OSGXFGZJKQKEMB-MRVPVSSYSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1Br ZINC001038818401 850026778 /nfs/dbraw/zinc/02/67/78/850026778.db2.gz OSGXFGZJKQKEMB-MRVPVSSYSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001038844316 850042154 /nfs/dbraw/zinc/04/21/54/850042154.db2.gz DDSDBSFFQMSLIV-GFCCVEGCSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001038844316 850042167 /nfs/dbraw/zinc/04/21/67/850042167.db2.gz DDSDBSFFQMSLIV-GFCCVEGCSA-N 1 2 260.341 0.420 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnon2)cc1 ZINC001038848982 850046936 /nfs/dbraw/zinc/04/69/36/850046936.db2.gz HFJFDGARRBGDTL-ZDUSSCGKSA-N 1 2 297.318 0.946 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnon2)cc1 ZINC001038848982 850046943 /nfs/dbraw/zinc/04/69/43/850046943.db2.gz HFJFDGARRBGDTL-ZDUSSCGKSA-N 1 2 297.318 0.946 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001038872028 850059926 /nfs/dbraw/zinc/05/99/26/850059926.db2.gz KLTXDSAXULHRPA-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001038872028 850059932 /nfs/dbraw/zinc/05/99/32/850059932.db2.gz KLTXDSAXULHRPA-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001038907359 850076699 /nfs/dbraw/zinc/07/66/99/850076699.db2.gz YXBNHOWZISKELG-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001038907359 850076706 /nfs/dbraw/zinc/07/67/06/850076706.db2.gz YXBNHOWZISKELG-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038914989 850081433 /nfs/dbraw/zinc/08/14/33/850081433.db2.gz TYIYRELFDZHHPW-CYBMUJFWSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038914989 850081448 /nfs/dbraw/zinc/08/14/48/850081448.db2.gz TYIYRELFDZHHPW-CYBMUJFWSA-N 1 2 260.341 0.901 20 30 CCEDLO N#CCN1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040422207 850290838 /nfs/dbraw/zinc/29/08/38/850290838.db2.gz KVERMGNWXICRMG-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714801 850489346 /nfs/dbraw/zinc/48/93/46/850489346.db2.gz RQVQLNJZQUKOTF-MRXNPFEDSA-N 1 2 286.379 0.900 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(CC#N)[C@@H]2C1 ZINC001042325120 850615316 /nfs/dbraw/zinc/61/53/16/850615316.db2.gz DIGQYEPMLKLTMM-GXTWGEPZSA-N 1 2 287.367 0.707 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nnn2CC)C1 ZINC001042907392 850778907 /nfs/dbraw/zinc/77/89/07/850778907.db2.gz KCWUFLNAZABVFX-UHFFFAOYSA-N 1 2 275.356 0.386 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001042905666 850779540 /nfs/dbraw/zinc/77/95/40/850779540.db2.gz ZUBHLYSHIMBGEM-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)C2CN(CC#N)C2)c[nH+]1 ZINC001043062571 850807239 /nfs/dbraw/zinc/80/72/39/850807239.db2.gz HUBGINOOTZOABU-UHFFFAOYSA-N 1 2 275.356 0.593 20 30 CCEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC001043139087 850820215 /nfs/dbraw/zinc/82/02/15/850820215.db2.gz DGFJHNGCKSVPKM-NSHDSACASA-N 1 2 273.340 0.112 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001043505281 850885715 /nfs/dbraw/zinc/88/57/15/850885715.db2.gz JYDNWFNWHMYNRA-UHFFFAOYSA-N 1 2 276.340 0.741 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001043510427 850889658 /nfs/dbraw/zinc/88/96/58/850889658.db2.gz NOKLJZWJESSZJS-GFCCVEGCSA-N 1 2 279.384 0.716 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001043980445 850978107 /nfs/dbraw/zinc/97/81/07/850978107.db2.gz QBTHCVKCIGGIBZ-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001044092818 851008477 /nfs/dbraw/zinc/00/84/77/851008477.db2.gz QGNGSHLVFTVFDS-CQSZACIVSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CCN1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001044136536 851021096 /nfs/dbraw/zinc/02/10/96/851021096.db2.gz GSJGWBVDAPESPB-UHFFFAOYSA-N 1 2 295.346 0.657 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001044318940 851075634 /nfs/dbraw/zinc/07/56/34/851075634.db2.gz AUAGKGWDSYKAAZ-LLVKDONJSA-N 1 2 274.368 0.843 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819808 851163660 /nfs/dbraw/zinc/16/36/60/851163660.db2.gz BAQBVQJSFQZCRB-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046002145 851345591 /nfs/dbraw/zinc/34/55/91/851345591.db2.gz JTRIYSZNWFUSRG-ZDUSSCGKSA-N 1 2 264.373 0.384 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN(CC#N)C1 ZINC001046434698 851504103 /nfs/dbraw/zinc/50/41/03/851504103.db2.gz QJPZZOLGFLFZNC-IUODEOHRSA-N 1 2 287.367 0.550 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770188 851610027 /nfs/dbraw/zinc/61/00/27/851610027.db2.gz FKBLEHYROOCAMB-IAQYHMDHSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770188 851610035 /nfs/dbraw/zinc/61/00/35/851610035.db2.gz FKBLEHYROOCAMB-IAQYHMDHSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770188 851610046 /nfs/dbraw/zinc/61/00/46/851610046.db2.gz FKBLEHYROOCAMB-IAQYHMDHSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770188 851610053 /nfs/dbraw/zinc/61/00/53/851610053.db2.gz FKBLEHYROOCAMB-IAQYHMDHSA-N 1 2 289.383 0.676 20 30 CCEDLO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046849027 851630368 /nfs/dbraw/zinc/63/03/68/851630368.db2.gz LYQHFJYGQLMCCP-OCCSQVGLSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046849027 851630371 /nfs/dbraw/zinc/63/03/71/851630371.db2.gz LYQHFJYGQLMCCP-OCCSQVGLSA-N 1 2 298.408 0.168 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001047293750 851699849 /nfs/dbraw/zinc/69/98/49/851699849.db2.gz DNSCSCNDPIRWHJ-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001047293750 851699860 /nfs/dbraw/zinc/69/98/60/851699860.db2.gz DNSCSCNDPIRWHJ-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001047366097 851739949 /nfs/dbraw/zinc/73/99/49/851739949.db2.gz UIZRKHDVKCXRKI-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001047366097 851739953 /nfs/dbraw/zinc/73/99/53/851739953.db2.gz UIZRKHDVKCXRKI-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001047524548 851800955 /nfs/dbraw/zinc/80/09/55/851800955.db2.gz JQPVEFNBZUHKBG-QWRGUYRKSA-N 1 2 298.293 0.098 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001047524548 851800960 /nfs/dbraw/zinc/80/09/60/851800960.db2.gz JQPVEFNBZUHKBG-QWRGUYRKSA-N 1 2 298.293 0.098 20 30 CCEDLO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810011 852072177 /nfs/dbraw/zinc/07/21/77/852072177.db2.gz DSCGLURLZHTSCS-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810011 852072181 /nfs/dbraw/zinc/07/21/81/852072181.db2.gz DSCGLURLZHTSCS-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844897 852383068 /nfs/dbraw/zinc/38/30/68/852383068.db2.gz VNYTYXWJSLIPMS-STQMWFEESA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844897 852383075 /nfs/dbraw/zinc/38/30/75/852383075.db2.gz VNYTYXWJSLIPMS-STQMWFEESA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(CF)CC3)C2)CC1 ZINC001052082507 852549615 /nfs/dbraw/zinc/54/96/15/852549615.db2.gz TUPABRMRQLMYOF-AWEZNQCLSA-N 1 2 293.386 0.588 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)n[nH]1)CCO2 ZINC001053174849 852702091 /nfs/dbraw/zinc/70/20/91/852702091.db2.gz UYQGVHYUXKVMCR-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 ZINC001053174849 852702100 /nfs/dbraw/zinc/70/21/00/852702100.db2.gz UYQGVHYUXKVMCR-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)CCO2 ZINC001053177603 852702613 /nfs/dbraw/zinc/70/26/13/852702613.db2.gz APNPLGBLGLDVCQ-GFCCVEGCSA-N 1 2 268.357 0.511 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)c1 ZINC001053421868 852740483 /nfs/dbraw/zinc/74/04/83/852740483.db2.gz BVBNTYSPLLQDLT-UHFFFAOYSA-N 1 2 299.374 1.000 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnco1)O2 ZINC001053634307 852772521 /nfs/dbraw/zinc/77/25/21/852772521.db2.gz PVQWLTFTNJKQLW-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnccn1)CO2 ZINC001053725333 852791435 /nfs/dbraw/zinc/79/14/35/852791435.db2.gz DWULTEHVGZXSLM-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCOC1)CO2 ZINC001053751155 852793110 /nfs/dbraw/zinc/79/31/10/852793110.db2.gz DUJCREHQFSFKPH-STQMWFEESA-N 1 2 278.352 0.006 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnns1)CO2 ZINC001053747380 852801535 /nfs/dbraw/zinc/80/15/35/852801535.db2.gz XJYIVABAYUUBPG-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1=COCCC1)CO2 ZINC001053754057 852804479 /nfs/dbraw/zinc/80/44/79/852804479.db2.gz GEAWHQLZKPSPMO-AWEZNQCLSA-N 1 2 290.363 0.664 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCOC1)CO2 ZINC001053751152 852804710 /nfs/dbraw/zinc/80/47/10/852804710.db2.gz DUJCREHQFSFKPH-CHWSQXEVSA-N 1 2 278.352 0.006 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]cc1F)CO2 ZINC001053917202 852844834 /nfs/dbraw/zinc/84/48/34/852844834.db2.gz DPSQQWBHXFVXBL-JTQLQIEISA-N 1 2 294.330 0.698 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CC3)CO2 ZINC001053937791 852850494 /nfs/dbraw/zinc/85/04/94/852850494.db2.gz JZAZMRZYDXZISX-STQMWFEESA-N 1 2 274.364 0.769 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001097922221 852863024 /nfs/dbraw/zinc/86/30/24/852863024.db2.gz UDSSSVLPUPLQLW-NSHDSACASA-N 1 2 299.338 0.470 20 30 CCEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC001054640552 852986434 /nfs/dbraw/zinc/98/64/34/852986434.db2.gz ZHDNHROOQAEJGN-MFKMUULPSA-N 1 2 290.392 0.888 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cncc(C#N)n1 ZINC001097955076 852997653 /nfs/dbraw/zinc/99/76/53/852997653.db2.gz CKWRUGRDNYZTIE-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054976548 853047377 /nfs/dbraw/zinc/04/73/77/853047377.db2.gz NEZGFOOIPBRFAA-WDEREUQCSA-N 1 2 292.387 0.359 20 30 CCEDLO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001056871494 853238463 /nfs/dbraw/zinc/23/84/63/853238463.db2.gz LOSDLQQQOQIABI-PWSUYJOCSA-N 1 2 273.340 0.982 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107737 853313450 /nfs/dbraw/zinc/31/34/50/853313450.db2.gz WDAUPGDOLXUOKK-UONOGXRCSA-N 1 2 287.367 0.720 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051967428 853666245 /nfs/dbraw/zinc/66/62/45/853666245.db2.gz SZZFDGWYZJYVBE-ZDUSSCGKSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051967428 853666249 /nfs/dbraw/zinc/66/62/49/853666249.db2.gz SZZFDGWYZJYVBE-ZDUSSCGKSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052063849 853679477 /nfs/dbraw/zinc/67/94/77/853679477.db2.gz YWWDGORASWBNAP-KBPBESRZSA-N 1 2 281.375 0.586 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052060577 853680295 /nfs/dbraw/zinc/68/02/95/853680295.db2.gz IIOZKIDCBPBWBS-AWEZNQCLSA-N 1 2 295.427 0.409 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001058323358 853825946 /nfs/dbraw/zinc/82/59/46/853825946.db2.gz VKTHRAOFCDSFAO-GFCCVEGCSA-N 1 2 296.334 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](n2ccnn2)C1 ZINC001070002074 854015321 /nfs/dbraw/zinc/01/53/21/854015321.db2.gz RLAMLRYWNGYQQP-YCPHGPKFSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](n2ccnn2)C1 ZINC001070002074 854015327 /nfs/dbraw/zinc/01/53/27/854015327.db2.gz RLAMLRYWNGYQQP-YCPHGPKFSA-N 1 2 299.378 0.609 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1NCC#N ZINC001070638939 854083866 /nfs/dbraw/zinc/08/38/66/854083866.db2.gz KQVJGVBYFZZZPO-ZIAGYGMSSA-N 1 2 299.378 0.938 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(C)=O)C1 ZINC001070899308 854099211 /nfs/dbraw/zinc/09/92/11/854099211.db2.gz TWFIGTVHHAHQCO-MJBXVCDLSA-N 1 2 291.351 0.136 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(C)=O)C1 ZINC001070899308 854099220 /nfs/dbraw/zinc/09/92/20/854099220.db2.gz TWFIGTVHHAHQCO-MJBXVCDLSA-N 1 2 291.351 0.136 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001071784549 854289271 /nfs/dbraw/zinc/28/92/71/854289271.db2.gz GCOPTHYXECMGKZ-WCQYABFASA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCC(=O)N1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001071784547 854289769 /nfs/dbraw/zinc/28/97/69/854289769.db2.gz GCOPTHYXECMGKZ-AAEUAGOBSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071791407 854294167 /nfs/dbraw/zinc/29/41/67/854294167.db2.gz SXDRVPJEKSCZID-NEPJUHHUSA-N 1 2 290.367 0.882 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1CC#N ZINC001071990380 854331064 /nfs/dbraw/zinc/33/10/64/854331064.db2.gz ZBQLIESCXJXWTI-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972432 854505960 /nfs/dbraw/zinc/50/59/60/854505960.db2.gz ZYDROFWDJXWJJQ-GFCCVEGCSA-N 1 2 299.378 0.887 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235076 854703052 /nfs/dbraw/zinc/70/30/52/854703052.db2.gz DAWBFXZTRRTFJF-HOTGVXAUSA-N 1 2 286.375 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235076 854703056 /nfs/dbraw/zinc/70/30/56/854703056.db2.gz DAWBFXZTRRTFJF-HOTGVXAUSA-N 1 2 286.375 0.725 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC)C2)nn1 ZINC001098618777 854873917 /nfs/dbraw/zinc/87/39/17/854873917.db2.gz KCZBTHFIUMBBNS-CQSZACIVSA-N 1 2 289.383 0.965 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619951 854947325 /nfs/dbraw/zinc/94/73/25/854947325.db2.gz HDAISCJWBFLPGW-QWRGUYRKSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619951 854947334 /nfs/dbraw/zinc/94/73/34/854947334.db2.gz HDAISCJWBFLPGW-QWRGUYRKSA-N 1 2 276.764 0.327 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1cncc(C#N)n1 ZINC001100380675 855157947 /nfs/dbraw/zinc/15/79/47/855157947.db2.gz XWRUPYGJGGKBJW-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1cncc(C#N)n1 ZINC001100380675 855157951 /nfs/dbraw/zinc/15/79/51/855157951.db2.gz XWRUPYGJGGKBJW-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102514532 855441769 /nfs/dbraw/zinc/44/17/69/855441769.db2.gz AHLGKHXGLVAIGH-VXGBXAGGSA-N 1 2 275.356 0.170 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001103161692 855501738 /nfs/dbraw/zinc/50/17/38/855501738.db2.gz HUORQZKAFJWJJA-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001103161985 855501839 /nfs/dbraw/zinc/50/18/39/855501839.db2.gz OMWGMJZCFITCMK-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000697287601 855616721 /nfs/dbraw/zinc/61/67/21/855616721.db2.gz WXIXXRKDXRHIQG-UONOGXRCSA-N 1 2 279.361 0.440 20 30 CCEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001115900365 855703998 /nfs/dbraw/zinc/70/39/98/855703998.db2.gz YNJBPQIMOXTHTE-LLVKDONJSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001115900365 855704001 /nfs/dbraw/zinc/70/40/01/855704001.db2.gz YNJBPQIMOXTHTE-LLVKDONJSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC001116539534 855783519 /nfs/dbraw/zinc/78/35/19/855783519.db2.gz XZFHRUCUDZWHKN-RISCZKNCSA-N 1 2 297.355 0.178 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC001116539534 855783527 /nfs/dbraw/zinc/78/35/27/855783527.db2.gz XZFHRUCUDZWHKN-RISCZKNCSA-N 1 2 297.355 0.178 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001116940939 855872531 /nfs/dbraw/zinc/87/25/31/855872531.db2.gz PSDPYTLXBPLUMD-UHFFFAOYSA-N 1 2 262.313 0.339 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118708795 856405379 /nfs/dbraw/zinc/40/53/79/856405379.db2.gz FGJLACYWRXEKEX-CABCVRRESA-N 1 2 287.363 0.546 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118708795 856405386 /nfs/dbraw/zinc/40/53/86/856405386.db2.gz FGJLACYWRXEKEX-CABCVRRESA-N 1 2 287.363 0.546 20 30 CCEDLO N#C[C@@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001118712642 856407172 /nfs/dbraw/zinc/40/71/72/856407172.db2.gz CVNGZFBAGSIROX-ZDUSSCGKSA-N 1 2 289.335 0.133 20 30 CCEDLO C=CCO[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001119284200 856612176 /nfs/dbraw/zinc/61/21/76/856612176.db2.gz BSBHMCRNBFAQJB-LBPRGKRZSA-N 1 2 285.369 0.490 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001119322225 856630410 /nfs/dbraw/zinc/63/04/10/856630410.db2.gz JHGDELQVUVNCRO-AVGNSLFASA-N 1 2 296.367 0.461 20 30 CCEDLO C=C(C)Cn1nnnc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001119719410 856853283 /nfs/dbraw/zinc/85/32/83/856853283.db2.gz QKMUEVMHGNLNGY-STQMWFEESA-N 1 2 292.387 0.549 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2COCCO2)n1 ZINC001119774254 856873144 /nfs/dbraw/zinc/87/31/44/856873144.db2.gz LZANIEJXKZYWSN-HNNXBMFYSA-N 1 2 293.367 0.380 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2COCCO2)n1 ZINC001119774254 856873151 /nfs/dbraw/zinc/87/31/51/856873151.db2.gz LZANIEJXKZYWSN-HNNXBMFYSA-N 1 2 293.367 0.380 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@H](O)COC)C2)C1 ZINC001323980573 912608672 /nfs/dbraw/zinc/60/86/72/912608672.db2.gz XKUORFOOASEGGJ-ZDUSSCGKSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001324292493 912761121 /nfs/dbraw/zinc/76/11/21/912761121.db2.gz DCYFZSAGPURYEU-NSHDSACASA-N 1 2 288.351 0.491 20 30 CCEDLO CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324571507 912913898 /nfs/dbraw/zinc/91/38/98/912913898.db2.gz BCSYFJBCNRKSMD-OAHLLOKOSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324571507 912913918 /nfs/dbraw/zinc/91/39/18/912913918.db2.gz BCSYFJBCNRKSMD-OAHLLOKOSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001324609320 912935068 /nfs/dbraw/zinc/93/50/68/912935068.db2.gz VHILCFBDYQPNDY-HNNXBMFYSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001324609320 912935082 /nfs/dbraw/zinc/93/50/82/912935082.db2.gz VHILCFBDYQPNDY-HNNXBMFYSA-N 1 2 289.383 0.699 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001394043259 912935943 /nfs/dbraw/zinc/93/59/43/912935943.db2.gz LPHHJBFWBOINCJ-DTWKUNHWSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001394043259 912935958 /nfs/dbraw/zinc/93/59/58/912935958.db2.gz LPHHJBFWBOINCJ-DTWKUNHWSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCN1CC#N ZINC001481067084 892130560 /nfs/dbraw/zinc/13/05/60/892130560.db2.gz JPKYMKFCSFHQMI-LLVKDONJSA-N 1 2 261.329 0.365 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CSCC#N)C1 ZINC001481531912 892776290 /nfs/dbraw/zinc/77/62/90/892776290.db2.gz RIJKOSCTGLEBOG-QWRGUYRKSA-N 1 2 298.412 0.088 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CSCC#N)C1 ZINC001481531912 892776298 /nfs/dbraw/zinc/77/62/98/892776298.db2.gz RIJKOSCTGLEBOG-QWRGUYRKSA-N 1 2 298.412 0.088 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001481571057 892840397 /nfs/dbraw/zinc/84/03/97/892840397.db2.gz HCAFIXIHAPUDSY-UHFFFAOYSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001481586555 892872701 /nfs/dbraw/zinc/87/27/01/892872701.db2.gz FUCZTRDUTBNAIE-RISCZKNCSA-N 1 2 297.399 0.293 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COc2ccccc2)C1 ZINC001481597519 892882986 /nfs/dbraw/zinc/88/29/86/892882986.db2.gz GKEDIPSKGPBPNF-UHFFFAOYSA-N 1 2 258.321 0.889 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)SC)C1 ZINC001481614357 892902884 /nfs/dbraw/zinc/90/28/84/892902884.db2.gz DQLKMLJMUUNMQZ-JTQLQIEISA-N 1 2 285.413 0.088 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CC(C)C2)C1 ZINC001481619623 892914170 /nfs/dbraw/zinc/91/41/70/892914170.db2.gz JUCLUKQTFFPEFK-MBHSVXNSSA-N 1 2 291.395 0.218 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CCCC#CC)C1 ZINC001481640154 892948800 /nfs/dbraw/zinc/94/88/00/892948800.db2.gz FETBWKLLHWVLNE-UHFFFAOYSA-N 1 2 291.395 0.530 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001481642472 892952348 /nfs/dbraw/zinc/95/23/48/892952348.db2.gz KEGHPHBQMZZTGU-MRXNPFEDSA-N 1 2 293.411 0.915 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481686884 893010619 /nfs/dbraw/zinc/01/06/19/893010619.db2.gz LFWSUDFHDKKONW-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481686884 893010634 /nfs/dbraw/zinc/01/06/34/893010634.db2.gz LFWSUDFHDKKONW-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@H](CNC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001481884164 893242803 /nfs/dbraw/zinc/24/28/03/893242803.db2.gz XRJQJCSOQYWROV-GFCCVEGCSA-N 1 2 263.345 0.671 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001482190290 893482719 /nfs/dbraw/zinc/48/27/19/893482719.db2.gz KXTDNULUCFAODK-ZDUSSCGKSA-N 1 2 292.383 0.518 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001482190290 893482726 /nfs/dbraw/zinc/48/27/26/893482726.db2.gz KXTDNULUCFAODK-ZDUSSCGKSA-N 1 2 292.383 0.518 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001482200604 893528038 /nfs/dbraw/zinc/52/80/38/893528038.db2.gz UMXFLGFYWPBTHX-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001482200604 893528062 /nfs/dbraw/zinc/52/80/62/893528062.db2.gz UMXFLGFYWPBTHX-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001482200604 893528079 /nfs/dbraw/zinc/52/80/79/893528079.db2.gz UMXFLGFYWPBTHX-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001482200604 893528095 /nfs/dbraw/zinc/52/80/95/893528095.db2.gz UMXFLGFYWPBTHX-CYBMUJFWSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H](C)CO1 ZINC001482614915 894412394 /nfs/dbraw/zinc/41/23/94/894412394.db2.gz TXVXBOWSTUZAKX-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H](C)CO1 ZINC001482614915 894412403 /nfs/dbraw/zinc/41/24/03/894412403.db2.gz TXVXBOWSTUZAKX-STQMWFEESA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001482614913 894413294 /nfs/dbraw/zinc/41/32/94/894413294.db2.gz TXVXBOWSTUZAKX-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001482614913 894413299 /nfs/dbraw/zinc/41/32/99/894413299.db2.gz TXVXBOWSTUZAKX-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1(CC#N)CC1 ZINC001414343148 894456074 /nfs/dbraw/zinc/45/60/74/894456074.db2.gz QUCOVDKQMDPGRG-TXEJJXNPSA-N 1 2 283.397 0.788 20 30 CCEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1(CC#N)CC1 ZINC001414343148 894456085 /nfs/dbraw/zinc/45/60/85/894456085.db2.gz QUCOVDKQMDPGRG-TXEJJXNPSA-N 1 2 283.397 0.788 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001483115074 894935552 /nfs/dbraw/zinc/93/55/52/894935552.db2.gz YMYGNRZYDFWHAT-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001409638908 895300499 /nfs/dbraw/zinc/30/04/99/895300499.db2.gz TYJGXOQQNUIBLZ-MFKMUULPSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001409638908 895300517 /nfs/dbraw/zinc/30/05/17/895300517.db2.gz TYJGXOQQNUIBLZ-MFKMUULPSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409659022 895319293 /nfs/dbraw/zinc/31/92/93/895319293.db2.gz PFIMLHHDTVQPCI-VIFPVBQESA-N 1 2 271.752 0.536 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409659022 895319311 /nfs/dbraw/zinc/31/93/11/895319311.db2.gz PFIMLHHDTVQPCI-VIFPVBQESA-N 1 2 271.752 0.536 20 30 CCEDLO C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)C#CC1CC1 ZINC001483336203 895472866 /nfs/dbraw/zinc/47/28/66/895472866.db2.gz KYPAHPNEYJCWNT-NSHDSACASA-N 1 2 275.356 0.165 20 30 CCEDLO C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)C#CC1CC1 ZINC001483336203 895472869 /nfs/dbraw/zinc/47/28/69/895472869.db2.gz KYPAHPNEYJCWNT-NSHDSACASA-N 1 2 275.356 0.165 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)COC ZINC001483622437 895710422 /nfs/dbraw/zinc/71/04/22/895710422.db2.gz MKYDKAGLMCHBAP-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)COC ZINC001483622437 895710436 /nfs/dbraw/zinc/71/04/36/895710436.db2.gz MKYDKAGLMCHBAP-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001483637723 895769172 /nfs/dbraw/zinc/76/91/72/895769172.db2.gz ATIFLYYFJIFXBE-TZMCWYRMSA-N 1 2 289.379 0.281 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001483637723 895769193 /nfs/dbraw/zinc/76/91/93/895769193.db2.gz ATIFLYYFJIFXBE-TZMCWYRMSA-N 1 2 289.379 0.281 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001483671954 895827064 /nfs/dbraw/zinc/82/70/64/895827064.db2.gz OKRWQFWOEOTRMO-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001483671954 895827077 /nfs/dbraw/zinc/82/70/77/895827077.db2.gz OKRWQFWOEOTRMO-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCCOC)c1 ZINC001483691168 895864684 /nfs/dbraw/zinc/86/46/84/895864684.db2.gz CACMWVWXPHJICD-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCCOC)c1 ZINC001483691168 895864697 /nfs/dbraw/zinc/86/46/97/895864697.db2.gz CACMWVWXPHJICD-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCN(C(=O)CCc1cnn[nH]1)C1CC[NH+](CC#C)CC1 ZINC001483987624 896144650 /nfs/dbraw/zinc/14/46/50/896144650.db2.gz XNZKXMFSJUYBGN-UHFFFAOYSA-N 1 2 299.378 0.297 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484290769 896320069 /nfs/dbraw/zinc/32/00/69/896320069.db2.gz WWORTMGQPXJSTN-GFCCVEGCSA-N 1 2 270.373 0.134 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CO[C@H](C)CC)CO2 ZINC001484796254 896609031 /nfs/dbraw/zinc/60/90/31/896609031.db2.gz TVJMXBIVIRYDSZ-KGLIPLIRSA-N 1 2 294.395 0.784 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001485400615 897035718 /nfs/dbraw/zinc/03/57/18/897035718.db2.gz LYLPXZXSRXDVDB-SNVBAGLBSA-N 1 2 257.309 0.059 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001031876758 897110990 /nfs/dbraw/zinc/11/09/90/897110990.db2.gz DDSLLVDLOTXVKD-GFCCVEGCSA-N 1 2 299.802 0.703 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001409922160 897268854 /nfs/dbraw/zinc/26/88/54/897268854.db2.gz XPNKWRSMTVHVCH-SECBINFHSA-N 1 2 297.790 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(C)c1 ZINC001032372691 897350353 /nfs/dbraw/zinc/35/03/53/897350353.db2.gz FRJSCTBXLZWGRI-STQMWFEESA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(C)c1 ZINC001032372691 897350364 /nfs/dbraw/zinc/35/03/64/897350364.db2.gz FRJSCTBXLZWGRI-STQMWFEESA-N 1 2 256.309 0.317 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccnn21 ZINC001032441611 897575559 /nfs/dbraw/zinc/57/55/59/897575559.db2.gz UUIJJXIGSPQOBF-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccnn21 ZINC001032441611 897575563 /nfs/dbraw/zinc/57/55/63/897575563.db2.gz UUIJJXIGSPQOBF-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001032482565 897632247 /nfs/dbraw/zinc/63/22/47/897632247.db2.gz CTEUBBLTZFMYLG-AGIUHOORSA-N 1 2 285.351 0.254 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccncc1 ZINC001032491913 897646578 /nfs/dbraw/zinc/64/65/78/897646578.db2.gz LJTBLCYEDZIRFQ-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccncc1 ZINC001032491913 897646582 /nfs/dbraw/zinc/64/65/82/897646582.db2.gz LJTBLCYEDZIRFQ-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001032506571 897663790 /nfs/dbraw/zinc/66/37/90/897663790.db2.gz HQFDPBXBCNGQDD-ILXRZTDVSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001032506571 897663801 /nfs/dbraw/zinc/66/38/01/897663801.db2.gz HQFDPBXBCNGQDD-ILXRZTDVSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnccc1N ZINC001272808528 897762435 /nfs/dbraw/zinc/76/24/35/897762435.db2.gz RHGVZNKVYKVAFS-HUUCEWRRSA-N 1 2 284.363 0.693 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnccc1N ZINC001272808528 897762451 /nfs/dbraw/zinc/76/24/51/897762451.db2.gz RHGVZNKVYKVAFS-HUUCEWRRSA-N 1 2 284.363 0.693 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001043010293 897864261 /nfs/dbraw/zinc/86/42/61/897864261.db2.gz UNFOPXDYPDCPKR-UHFFFAOYSA-N 1 2 296.321 0.928 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001032641523 897884190 /nfs/dbraw/zinc/88/41/90/897884190.db2.gz VRDNZWIDHZUXNW-AHDPXTMNSA-N 1 2 274.364 0.862 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001032641523 897884196 /nfs/dbraw/zinc/88/41/96/897884196.db2.gz VRDNZWIDHZUXNW-AHDPXTMNSA-N 1 2 274.364 0.862 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1 ZINC001032657213 897900483 /nfs/dbraw/zinc/90/04/83/897900483.db2.gz BHCPSNZGXYUDPV-KBPBESRZSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1 ZINC001032657213 897900490 /nfs/dbraw/zinc/90/04/90/897900490.db2.gz BHCPSNZGXYUDPV-KBPBESRZSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCOCC1 ZINC001032659825 897904774 /nfs/dbraw/zinc/90/47/74/897904774.db2.gz ODVUJXLPIWQVGP-STQMWFEESA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCOCC1 ZINC001032659825 897904783 /nfs/dbraw/zinc/90/47/83/897904783.db2.gz ODVUJXLPIWQVGP-STQMWFEESA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nonc1C ZINC001032708864 897950507 /nfs/dbraw/zinc/95/05/07/897950507.db2.gz FZYQYYKGXVIZHT-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nonc1C ZINC001032708864 897950511 /nfs/dbraw/zinc/95/05/11/897950511.db2.gz FZYQYYKGXVIZHT-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001032720008 897970749 /nfs/dbraw/zinc/97/07/49/897970749.db2.gz HCAPSXQNASBFHU-OFQRWUPVSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001032720008 897970759 /nfs/dbraw/zinc/97/07/59/897970759.db2.gz HCAPSXQNASBFHU-OFQRWUPVSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001077898237 898010188 /nfs/dbraw/zinc/01/01/88/898010188.db2.gz IAHGFUUQVUQWLT-GHMZBOCLSA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001077898237 898010202 /nfs/dbraw/zinc/01/02/02/898010202.db2.gz IAHGFUUQVUQWLT-GHMZBOCLSA-N 1 2 298.293 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001077945807 898092270 /nfs/dbraw/zinc/09/22/70/898092270.db2.gz VHPAFLSONXKUDS-GDBMZVCRSA-N 1 2 297.358 0.586 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001077945807 898092283 /nfs/dbraw/zinc/09/22/83/898092283.db2.gz VHPAFLSONXKUDS-GDBMZVCRSA-N 1 2 297.358 0.586 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001077948917 898098330 /nfs/dbraw/zinc/09/83/30/898098330.db2.gz YINSFKFRUGTJEQ-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001077948917 898098342 /nfs/dbraw/zinc/09/83/42/898098342.db2.gz YINSFKFRUGTJEQ-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001272886353 898119147 /nfs/dbraw/zinc/11/91/47/898119147.db2.gz LGQZJLRSYJDWEY-VXGBXAGGSA-N 1 2 271.324 0.214 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001078002677 898173798 /nfs/dbraw/zinc/17/37/98/898173798.db2.gz NIXPANIYZSXPEK-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001078002677 898173811 /nfs/dbraw/zinc/17/38/11/898173811.db2.gz NIXPANIYZSXPEK-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486149866 898688106 /nfs/dbraw/zinc/68/81/06/898688106.db2.gz UZAFFCMINKHQNI-DZGCQCFKSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486149866 898688112 /nfs/dbraw/zinc/68/81/12/898688112.db2.gz UZAFFCMINKHQNI-DZGCQCFKSA-N 1 2 287.367 0.979 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cn2cncn2)CC1 ZINC001486520067 898919556 /nfs/dbraw/zinc/91/95/56/898919556.db2.gz BQORDLDRDGIOBN-UHFFFAOYSA-N 1 2 295.774 0.779 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cn2cncn2)CC1 ZINC001486520067 898919565 /nfs/dbraw/zinc/91/95/65/898919565.db2.gz BQORDLDRDGIOBN-UHFFFAOYSA-N 1 2 295.774 0.779 20 30 CCEDLO Cn1c[nH+]cc1CN1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001494384899 899106668 /nfs/dbraw/zinc/10/66/68/899106668.db2.gz MYULHUTXKXFUEP-UHFFFAOYSA-N 1 2 274.368 0.770 20 30 CCEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](C)OC)C2 ZINC001489334076 900468627 /nfs/dbraw/zinc/46/86/27/900468627.db2.gz HNMFTEIEVGINGI-SNVBAGLBSA-N 1 2 293.392 0.786 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001490436356 900630487 /nfs/dbraw/zinc/63/04/87/900630487.db2.gz GKUQDWCVXYZWLF-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001490436356 900630492 /nfs/dbraw/zinc/63/04/92/900630492.db2.gz GKUQDWCVXYZWLF-OLZOCXBDSA-N 1 2 291.395 0.505 20 30 CCEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2cnco2)CC1 ZINC001490468810 900631287 /nfs/dbraw/zinc/63/12/87/900631287.db2.gz PVNYRTYPIZMGKN-UHFFFAOYSA-N 1 2 290.367 0.435 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001327349590 914491351 /nfs/dbraw/zinc/49/13/51/914491351.db2.gz KOKJCMDGWUNRCI-CQSZACIVSA-N 1 2 274.364 0.935 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001322157916 901000035 /nfs/dbraw/zinc/00/00/35/901000035.db2.gz ROUVWHZZTNLQHR-ZDUSSCGKSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001322157916 901000046 /nfs/dbraw/zinc/00/00/46/901000046.db2.gz ROUVWHZZTNLQHR-ZDUSSCGKSA-N 1 2 293.367 0.959 20 30 CCEDLO C=CCCC(=O)N[C@H]1COC2(C[NH+](CCOCC)C2)C1 ZINC001327378492 914509099 /nfs/dbraw/zinc/50/90/99/914509099.db2.gz HIFYGXBFAHVVBP-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCN2CCCC2=O)CC1 ZINC001412989059 902439876 /nfs/dbraw/zinc/43/98/76/902439876.db2.gz DFPQETWIOVRJCW-UHFFFAOYSA-N 1 2 279.340 0.388 20 30 CCEDLO N#Cc1sccc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413440555 902950445 /nfs/dbraw/zinc/95/04/45/902950445.db2.gz VYFVSWAUADISRI-VIFPVBQESA-N 1 2 276.321 0.676 20 30 CCEDLO N#Cc1sccc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413440555 902950452 /nfs/dbraw/zinc/95/04/52/902950452.db2.gz VYFVSWAUADISRI-VIFPVBQESA-N 1 2 276.321 0.676 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)=O)cc2C1 ZINC001327682538 914702781 /nfs/dbraw/zinc/70/27/81/914702781.db2.gz NDAJBBICEGHIJS-UHFFFAOYSA-N 1 2 299.374 0.730 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)=O)cc2C1 ZINC001327682538 914702795 /nfs/dbraw/zinc/70/27/95/914702795.db2.gz NDAJBBICEGHIJS-UHFFFAOYSA-N 1 2 299.374 0.730 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC001116950017 903707910 /nfs/dbraw/zinc/70/79/10/903707910.db2.gz SORZWQKFPZZFOC-UHFFFAOYSA-N 1 2 258.325 0.438 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001327812286 914780662 /nfs/dbraw/zinc/78/06/62/914780662.db2.gz UFAZEDBIHQOOFA-VBHSOAQHSA-N 1 2 269.414 0.675 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](OC)C(C)C)CO2 ZINC001280969592 904182802 /nfs/dbraw/zinc/18/28/02/904182802.db2.gz QRTSZNGRGCFRCN-KBPBESRZSA-N 1 2 294.395 0.640 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378112792 905428205 /nfs/dbraw/zinc/42/82/05/905428205.db2.gz GXIQMQTVLUFRPE-VXGBXAGGSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378112792 905428213 /nfs/dbraw/zinc/42/82/13/905428213.db2.gz GXIQMQTVLUFRPE-VXGBXAGGSA-N 1 2 288.775 0.735 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001284835718 905441678 /nfs/dbraw/zinc/44/16/78/905441678.db2.gz TYLWKEGQNBLQRQ-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285362370 905609769 /nfs/dbraw/zinc/60/97/69/905609769.db2.gz TZQVNPZPVHPUMO-STQMWFEESA-N 1 2 290.367 0.552 20 30 CCEDLO C#CCCCCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001285635195 905702557 /nfs/dbraw/zinc/70/25/57/905702557.db2.gz KYYMGQOFFWZBKV-CYBMUJFWSA-N 1 2 290.367 0.698 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001285755005 905752794 /nfs/dbraw/zinc/75/27/94/905752794.db2.gz CTCVCXJPHXQSAE-LBPRGKRZSA-N 1 2 290.367 0.243 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001379086289 905990402 /nfs/dbraw/zinc/99/04/02/905990402.db2.gz VRIWXWPCJGGGKX-VIFPVBQESA-N 1 2 275.780 0.641 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001379086289 905990411 /nfs/dbraw/zinc/99/04/11/905990411.db2.gz VRIWXWPCJGGGKX-VIFPVBQESA-N 1 2 275.780 0.641 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@H](C)c1nncn1C ZINC001380949883 907008263 /nfs/dbraw/zinc/00/82/63/907008263.db2.gz QPRTVYBTHFBCDM-VXGBXAGGSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1nncn1C ZINC001380949883 907008272 /nfs/dbraw/zinc/00/82/72/907008272.db2.gz QPRTVYBTHFBCDM-VXGBXAGGSA-N 1 2 292.387 0.816 20 30 CCEDLO C#CCCCC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001299150300 907397656 /nfs/dbraw/zinc/39/76/56/907397656.db2.gz BGPICMVVOSDGNH-UHFFFAOYSA-N 1 2 288.351 0.521 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc(F)c1 ZINC001492212536 907764207 /nfs/dbraw/zinc/76/42/07/907764207.db2.gz KMRYLILLYPERJO-UHFFFAOYSA-N 1 2 294.330 0.185 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(F)c1 ZINC001492212536 907764218 /nfs/dbraw/zinc/76/42/18/907764218.db2.gz KMRYLILLYPERJO-UHFFFAOYSA-N 1 2 294.330 0.185 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001382489775 907766876 /nfs/dbraw/zinc/76/68/76/907766876.db2.gz LAADWLOMJCNYQT-ZDUSSCGKSA-N 1 2 296.415 0.841 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001382489775 907766885 /nfs/dbraw/zinc/76/68/85/907766885.db2.gz LAADWLOMJCNYQT-ZDUSSCGKSA-N 1 2 296.415 0.841 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001492236199 907790535 /nfs/dbraw/zinc/79/05/35/907790535.db2.gz HHJHMGFICZYIKD-UHFFFAOYSA-N 1 2 262.357 0.772 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001492236199 907790521 /nfs/dbraw/zinc/79/05/21/907790521.db2.gz HHJHMGFICZYIKD-UHFFFAOYSA-N 1 2 262.357 0.772 20 30 CCEDLO CN(CC#N)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001492257514 907809454 /nfs/dbraw/zinc/80/94/54/907809454.db2.gz KZWQPYISYNZMIS-ZDUSSCGKSA-N 1 2 290.371 0.362 20 30 CCEDLO CN(CC#N)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001492257514 907809458 /nfs/dbraw/zinc/80/94/58/907809458.db2.gz KZWQPYISYNZMIS-ZDUSSCGKSA-N 1 2 290.371 0.362 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001492312293 907837788 /nfs/dbraw/zinc/83/77/88/907837788.db2.gz PTQGNHKAQHGSIK-MCIONIFRSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001492312293 907837799 /nfs/dbraw/zinc/83/77/99/907837799.db2.gz PTQGNHKAQHGSIK-MCIONIFRSA-N 1 2 293.411 0.773 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001492428388 907919473 /nfs/dbraw/zinc/91/94/73/907919473.db2.gz MADVPVYQNPERKW-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001492428388 907919480 /nfs/dbraw/zinc/91/94/80/907919480.db2.gz MADVPVYQNPERKW-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=CC[N@H+](CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC001307537783 908317902 /nfs/dbraw/zinc/31/79/02/908317902.db2.gz JPBAETFINQIDJW-LBPRGKRZSA-N 1 2 269.370 0.627 20 30 CCEDLO C=CC[N@@H+](CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC001307537783 908317916 /nfs/dbraw/zinc/31/79/16/908317916.db2.gz JPBAETFINQIDJW-LBPRGKRZSA-N 1 2 269.370 0.627 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001384972472 908326139 /nfs/dbraw/zinc/32/61/39/908326139.db2.gz TWKNVSKLCDXTMA-UTUOFQBUSA-N 1 2 289.339 0.054 20 30 CCEDLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001316937999 908694071 /nfs/dbraw/zinc/69/40/71/908694071.db2.gz OAWQGSMMTJQCLU-ZDUSSCGKSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001316937999 908694078 /nfs/dbraw/zinc/69/40/78/908694078.db2.gz OAWQGSMMTJQCLU-ZDUSSCGKSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001316939238 908698524 /nfs/dbraw/zinc/69/85/24/908698524.db2.gz FAIKBCXMYGPKBM-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001316939238 908698533 /nfs/dbraw/zinc/69/85/33/908698533.db2.gz FAIKBCXMYGPKBM-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973585 908704757 /nfs/dbraw/zinc/70/47/57/908704757.db2.gz GYFXEJXGKXSWHF-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973585 908704766 /nfs/dbraw/zinc/70/47/66/908704766.db2.gz GYFXEJXGKXSWHF-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CCN(CC#N)CC1 ZINC001316932869 908851087 /nfs/dbraw/zinc/85/10/87/908851087.db2.gz BMSDZFGCIVYSKG-UHFFFAOYSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001316932869 908851093 /nfs/dbraw/zinc/85/10/93/908851093.db2.gz BMSDZFGCIVYSKG-UHFFFAOYSA-N 1 2 275.356 0.789 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)C(C)(C)O)n2C)CC1 ZINC001338426284 921463537 /nfs/dbraw/zinc/46/35/37/921463537.db2.gz JVZXATDJGVDSHI-LBPRGKRZSA-N 1 2 291.399 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001317574192 909364052 /nfs/dbraw/zinc/36/40/52/909364052.db2.gz VUTMVIZAACDSOX-VIFPVBQESA-N 1 2 277.328 0.655 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001317586826 909388052 /nfs/dbraw/zinc/38/80/52/909388052.db2.gz PZRKFUITNPTVBG-JTQLQIEISA-N 1 2 282.369 0.124 20 30 CCEDLO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001317615916 909410188 /nfs/dbraw/zinc/41/01/88/909410188.db2.gz NWXNLKZENHQPAY-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+](CCCOC)C2)nn1 ZINC001318069725 909608179 /nfs/dbraw/zinc/60/81/79/909608179.db2.gz MOUBCJVXTZUBRM-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](C[C@H](C)O)C2)CCOCC1 ZINC001318081862 909614322 /nfs/dbraw/zinc/61/43/22/909614322.db2.gz PWMHBURWQNIDEZ-LBPRGKRZSA-N 1 2 282.384 0.541 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001389446641 909900841 /nfs/dbraw/zinc/90/08/41/909900841.db2.gz FLSAPAFJQSPSCU-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001389446641 909900854 /nfs/dbraw/zinc/90/08/54/909900854.db2.gz FLSAPAFJQSPSCU-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001389446751 909902601 /nfs/dbraw/zinc/90/26/01/909902601.db2.gz GPFBNDFITWPILT-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001389446751 909902612 /nfs/dbraw/zinc/90/26/12/909902612.db2.gz GPFBNDFITWPILT-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)F)C1 ZINC001319288882 910075544 /nfs/dbraw/zinc/07/55/44/910075544.db2.gz JLYNBEAVHNZDAO-GFCCVEGCSA-N 1 2 288.363 0.754 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)F)C1 ZINC001319288882 910075557 /nfs/dbraw/zinc/07/55/57/910075557.db2.gz JLYNBEAVHNZDAO-GFCCVEGCSA-N 1 2 288.363 0.754 20 30 CCEDLO CC(C)C[C@H](CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001319644021 910239551 /nfs/dbraw/zinc/23/95/51/910239551.db2.gz VYIYDZKPAOEGSZ-GFCCVEGCSA-N 1 2 263.345 0.527 20 30 CCEDLO N#CCCNC(=O)CSCC[NH+]1CCOCC1 ZINC001319805256 910300926 /nfs/dbraw/zinc/30/09/26/910300926.db2.gz UCZHUWOTEOTCDS-UHFFFAOYSA-N 1 2 257.359 0.082 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)SC ZINC001319989712 910402123 /nfs/dbraw/zinc/40/21/23/910402123.db2.gz HUUSTXUOCUAIEP-GFCCVEGCSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)SC ZINC001319989712 910402139 /nfs/dbraw/zinc/40/21/39/910402139.db2.gz HUUSTXUOCUAIEP-GFCCVEGCSA-N 1 2 299.440 0.268 20 30 CCEDLO CC(C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)=C1CCC1 ZINC001319993577 910408466 /nfs/dbraw/zinc/40/84/66/910408466.db2.gz CPEXFNGGXZLINS-UHFFFAOYSA-N 1 2 292.383 0.517 20 30 CCEDLO CC(C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)=C1CCC1 ZINC001319993577 910408478 /nfs/dbraw/zinc/40/84/78/910408478.db2.gz CPEXFNGGXZLINS-UHFFFAOYSA-N 1 2 292.383 0.517 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC001417720752 921574546 /nfs/dbraw/zinc/57/45/46/921574546.db2.gz XQKFPOCYZRTSDG-LLVKDONJSA-N 1 2 274.324 0.634 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(C(=O)NC)CC1 ZINC001320061757 910443679 /nfs/dbraw/zinc/44/36/79/910443679.db2.gz PAVHAJDISSXMCE-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(C(=O)NC)CC1 ZINC001320061757 910443692 /nfs/dbraw/zinc/44/36/92/910443692.db2.gz PAVHAJDISSXMCE-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C[C@@H](C(=O)N1CCC(C#N)CC1)[NH+]1CCN(C)CC1 ZINC001338958938 921613226 /nfs/dbraw/zinc/61/32/26/921613226.db2.gz JZBQBHHXMPIWQJ-LBPRGKRZSA-N 1 2 264.373 0.384 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001391207414 910968638 /nfs/dbraw/zinc/96/86/38/910968638.db2.gz FGANKMFLROVHJA-ZJUUUORDSA-N 1 2 279.344 0.901 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001391570153 911227845 /nfs/dbraw/zinc/22/78/45/911227845.db2.gz BCJWCMQDQFRDKJ-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001391570153 911227855 /nfs/dbraw/zinc/22/78/55/911227855.db2.gz BCJWCMQDQFRDKJ-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001321513721 911337564 /nfs/dbraw/zinc/33/75/64/911337564.db2.gz GJMHZWCHYQDQEA-GHMZBOCLSA-N 1 2 294.355 0.573 20 30 CCEDLO C[C@@H](CN(C)CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322250280 911729617 /nfs/dbraw/zinc/72/96/17/911729617.db2.gz SERYXNOAMKKMKF-QJPTWQEYSA-N 1 2 275.356 0.484 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC(C)C ZINC001323181070 912160231 /nfs/dbraw/zinc/16/02/31/912160231.db2.gz INDIUWZYBDBYDT-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC(C)C ZINC001323181070 912160242 /nfs/dbraw/zinc/16/02/42/912160242.db2.gz INDIUWZYBDBYDT-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO CC(C)NC(=O)NCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001392825080 912177473 /nfs/dbraw/zinc/17/74/73/912177473.db2.gz RHASLAHSBDCUNV-NEPJUHHUSA-N 1 2 295.387 0.044 20 30 CCEDLO CC(C)NC(=O)NCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001392825080 912177479 /nfs/dbraw/zinc/17/74/79/912177479.db2.gz RHASLAHSBDCUNV-NEPJUHHUSA-N 1 2 295.387 0.044 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CCN1CC#N ZINC001328283777 915078996 /nfs/dbraw/zinc/07/89/96/915078996.db2.gz MFZAXIFCDFJFFN-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001328848443 915472022 /nfs/dbraw/zinc/47/20/22/915472022.db2.gz NSKIMXBVDVZLIJ-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)n2cccc2)C1 ZINC001329652676 916097859 /nfs/dbraw/zinc/09/78/59/916097859.db2.gz YFVNGNKLEPTMKS-AWEZNQCLSA-N 1 2 289.379 0.625 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001329838243 916216445 /nfs/dbraw/zinc/21/64/45/916216445.db2.gz YCRTXOUOIXFCJF-MRXNPFEDSA-N 1 2 295.427 0.552 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)OCC ZINC001330001608 916349191 /nfs/dbraw/zinc/34/91/91/916349191.db2.gz XRKAXKFAGNLRET-DGCLKSJQSA-N 1 2 297.399 0.280 20 30 CCEDLO CC(C)C(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001330170080 916447337 /nfs/dbraw/zinc/44/73/37/916447337.db2.gz GUHPVLAVVKIXJN-NSHDSACASA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)C(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001330170080 916447348 /nfs/dbraw/zinc/44/73/48/916447348.db2.gz GUHPVLAVVKIXJN-NSHDSACASA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]Cc1nc(C(F)F)no1 ZINC001401670855 916451615 /nfs/dbraw/zinc/45/16/15/916451615.db2.gz IPVHQTCDAFZBOO-RQJHMYQMSA-N 1 2 287.270 0.761 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]Cc1nc(CC2CC2)no1 ZINC001401677012 916466200 /nfs/dbraw/zinc/46/62/00/916466200.db2.gz VMQHHAFWRPWECN-ZJUUUORDSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001401746325 916557819 /nfs/dbraw/zinc/55/78/19/916557819.db2.gz AUGLSIVMIVGJPQ-ZJUUUORDSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001401746325 916557837 /nfs/dbraw/zinc/55/78/37/916557837.db2.gz AUGLSIVMIVGJPQ-ZJUUUORDSA-N 1 2 290.795 0.622 20 30 CCEDLO Cc1ccnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001401942720 916723891 /nfs/dbraw/zinc/72/38/91/916723891.db2.gz VGQKEUZEVKSZQM-JTQLQIEISA-N 1 2 273.340 0.683 20 30 CCEDLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001402181392 916854427 /nfs/dbraw/zinc/85/44/27/916854427.db2.gz YDKUFOHKHJBDKB-WCBMZHEXSA-N 1 2 279.369 0.697 20 30 CCEDLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001402181392 916854437 /nfs/dbraw/zinc/85/44/37/916854437.db2.gz YDKUFOHKHJBDKB-WCBMZHEXSA-N 1 2 279.369 0.697 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1csnn1)C1CC1 ZINC001402262657 916909280 /nfs/dbraw/zinc/90/92/80/916909280.db2.gz NDAQRYGUOPEXPS-GZMMTYOYSA-N 1 2 279.369 0.682 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1csnn1)C1CC1 ZINC001402262747 916909792 /nfs/dbraw/zinc/90/97/92/916909792.db2.gz NDAQRYGUOPEXPS-LDYMZIIASA-N 1 2 279.369 0.682 20 30 CCEDLO CCn1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)nn1 ZINC001330858761 916922774 /nfs/dbraw/zinc/92/27/74/916922774.db2.gz VWMHENRLFSIVCG-UHFFFAOYSA-N 1 2 282.311 0.502 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC001331102417 917087962 /nfs/dbraw/zinc/08/79/62/917087962.db2.gz ITKIODCJYHQACI-LBPRGKRZSA-N 1 2 293.371 0.144 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC001331102417 917087973 /nfs/dbraw/zinc/08/79/73/917087973.db2.gz ITKIODCJYHQACI-LBPRGKRZSA-N 1 2 293.371 0.144 20 30 CCEDLO C[C@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC001331102416 917089437 /nfs/dbraw/zinc/08/94/37/917089437.db2.gz ITKIODCJYHQACI-GFCCVEGCSA-N 1 2 293.371 0.144 20 30 CCEDLO C[C@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC001331102416 917089447 /nfs/dbraw/zinc/08/94/47/917089447.db2.gz ITKIODCJYHQACI-GFCCVEGCSA-N 1 2 293.371 0.144 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332148476 917905711 /nfs/dbraw/zinc/90/57/11/917905711.db2.gz YCNYOUKFNZCVFU-FZMZJTMJSA-N 1 2 290.367 0.681 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332148476 917905723 /nfs/dbraw/zinc/90/57/23/917905723.db2.gz YCNYOUKFNZCVFU-FZMZJTMJSA-N 1 2 290.367 0.681 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001333761787 919145427 /nfs/dbraw/zinc/14/54/27/919145427.db2.gz UYBYNJINGGCOFY-CYBMUJFWSA-N 1 2 288.351 0.404 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001407205534 919665435 /nfs/dbraw/zinc/66/54/35/919665435.db2.gz OMFUMVQANHXLJP-XHDPSFHLSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001407205534 919665443 /nfs/dbraw/zinc/66/54/43/919665443.db2.gz OMFUMVQANHXLJP-XHDPSFHLSA-N 1 2 289.383 0.969 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001335146411 919982197 /nfs/dbraw/zinc/98/21/97/919982197.db2.gz MMLXAPXOHFHOQL-LLVKDONJSA-N 1 2 293.371 0.098 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)OC)o2)C1 ZINC001335181126 919999793 /nfs/dbraw/zinc/99/97/93/919999793.db2.gz NKWIDAKCKXLXAR-NSHDSACASA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)OC)o2)C1 ZINC001335181126 919999807 /nfs/dbraw/zinc/99/98/07/919999807.db2.gz NKWIDAKCKXLXAR-NSHDSACASA-N 1 2 290.319 0.894 20 30 CCEDLO C=C[C@H](COC)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001335498059 920236273 /nfs/dbraw/zinc/23/62/73/920236273.db2.gz QMWIXLVNRZGNEJ-NWDGAFQWSA-N 1 2 266.345 0.605 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001336321710 920718805 /nfs/dbraw/zinc/71/88/05/920718805.db2.gz YLNIZGCHCFHORW-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C3CC3)C2=O)nn1 ZINC001336894768 921089074 /nfs/dbraw/zinc/08/90/74/921089074.db2.gz CJNFKXGIPKEJGK-CYBMUJFWSA-N 1 2 273.340 0.327 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339776792 921824368 /nfs/dbraw/zinc/82/43/68/921824368.db2.gz ALXCMQBWYBZTRU-OLZOCXBDSA-N 1 2 287.367 0.108 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339776792 921824385 /nfs/dbraw/zinc/82/43/85/921824385.db2.gz ALXCMQBWYBZTRU-OLZOCXBDSA-N 1 2 287.367 0.108 20 30 CCEDLO C=CCn1c(-c2c[nH]nn2)nnc1N1CC[NH+](CC)CC1 ZINC001340501779 922100962 /nfs/dbraw/zinc/10/09/62/922100962.db2.gz NUPHOFMBKVMPJX-UHFFFAOYSA-N 1 2 288.359 0.391 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCn1cncn1 ZINC001418514045 922201701 /nfs/dbraw/zinc/20/17/01/922201701.db2.gz IBEOFUAJZLMQLM-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCn1cncn1 ZINC001418514045 922201712 /nfs/dbraw/zinc/20/17/12/922201712.db2.gz IBEOFUAJZLMQLM-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419087500 922628175 /nfs/dbraw/zinc/62/81/75/922628175.db2.gz ARCKGYAJKVYMTH-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001419087500 922628183 /nfs/dbraw/zinc/62/81/83/922628183.db2.gz ARCKGYAJKVYMTH-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001341718285 922641374 /nfs/dbraw/zinc/64/13/74/922641374.db2.gz HGQDRBRMQZIBLQ-OLZOCXBDSA-N 1 2 287.367 0.016 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001341718285 922641387 /nfs/dbraw/zinc/64/13/87/922641387.db2.gz HGQDRBRMQZIBLQ-OLZOCXBDSA-N 1 2 287.367 0.016 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC001343070665 923192445 /nfs/dbraw/zinc/19/24/45/923192445.db2.gz ODXUKIOQSXJCLZ-UHFFFAOYSA-N 1 2 261.272 0.108 20 30 CCEDLO C=CCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001343179095 923225311 /nfs/dbraw/zinc/22/53/11/923225311.db2.gz GTVYRZDHGWPITJ-DTWKUNHWSA-N 1 2 296.339 0.171 20 30 CCEDLO COCCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001420405003 923633489 /nfs/dbraw/zinc/63/34/89/923633489.db2.gz OHGRIXVGRBIEDB-ZJUUUORDSA-N 1 2 295.343 0.012 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001421128461 924168381 /nfs/dbraw/zinc/16/83/81/924168381.db2.gz FSOGJWFDPLIIAO-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC#N ZINC001347360729 924432112 /nfs/dbraw/zinc/43/21/12/924432112.db2.gz GHMJZZBXQFWZJN-NSHDSACASA-N 1 2 277.328 0.123 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC#N ZINC001347360729 924432118 /nfs/dbraw/zinc/43/21/18/924432118.db2.gz GHMJZZBXQFWZJN-NSHDSACASA-N 1 2 277.328 0.123 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC001347618081 924495758 /nfs/dbraw/zinc/49/57/58/924495758.db2.gz RUGSTERRBGQEBN-ZIAGYGMSSA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001349468788 924967762 /nfs/dbraw/zinc/96/77/62/924967762.db2.gz WPUQACIZPBZNPW-RWMBFGLXSA-N 1 2 266.389 0.284 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001349468788 924967764 /nfs/dbraw/zinc/96/77/64/924967764.db2.gz WPUQACIZPBZNPW-RWMBFGLXSA-N 1 2 266.389 0.284 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC12CCC2 ZINC001349896534 925089234 /nfs/dbraw/zinc/08/92/34/925089234.db2.gz IZAKXNGDLPFNPB-UWVGGRQHSA-N 1 2 252.314 0.492 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C#N)CCOCC1 ZINC001353947501 925970919 /nfs/dbraw/zinc/97/09/19/925970919.db2.gz YWBFCXWWMQOMCI-UHFFFAOYSA-N 1 2 262.313 0.697 20 30 CCEDLO CN(C)c1ccc(Cn2c(N)nc(C#N)c2C#N)c[nH+]1 ZINC001472975440 926272963 /nfs/dbraw/zinc/27/29/63/926272963.db2.gz FLKGRZRINBCLBE-UHFFFAOYSA-N 1 2 267.296 0.718 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC=NO3)n2C)CC1 ZINC001355570076 926285545 /nfs/dbraw/zinc/28/55/45/926285545.db2.gz FSAZOQVEYQROMN-NSHDSACASA-N 1 2 274.328 0.018 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CCNC(=O)Cc1c[nH+]cn1C ZINC001355768081 926311407 /nfs/dbraw/zinc/31/14/07/926311407.db2.gz FTYWNHKQVOXUMY-UHFFFAOYSA-N 1 2 292.383 0.749 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3(O)CCC3)n2CC)CC1 ZINC001357553846 926561568 /nfs/dbraw/zinc/56/15/68/926561568.db2.gz UJMJQOCPVBTKNS-UHFFFAOYSA-N 1 2 289.383 0.425 20 30 CCEDLO CC(C)C#CC(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001358728917 926805572 /nfs/dbraw/zinc/80/55/72/926805572.db2.gz DMGZENNCMLXAID-UHFFFAOYSA-N 1 2 288.351 0.281 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001423554794 927920136 /nfs/dbraw/zinc/92/01/36/927920136.db2.gz XLGLKMAZAFDMTB-GXFFZTMASA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(C)=O)C1 ZINC001423554794 927920144 /nfs/dbraw/zinc/92/01/44/927920144.db2.gz XLGLKMAZAFDMTB-GXFFZTMASA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001424545751 928213339 /nfs/dbraw/zinc/21/33/39/928213339.db2.gz UWQBTRFUMUFCGB-UWVGGRQHSA-N 1 2 289.339 0.075 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CC1(C#N)CCOCC1 ZINC001362715098 928401062 /nfs/dbraw/zinc/40/10/62/928401062.db2.gz CFQLIFAEYVXWCS-NSHDSACASA-N 1 2 292.339 0.280 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001363781344 929569960 /nfs/dbraw/zinc/56/99/60/929569960.db2.gz GITMICHIZSPIAE-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001372257894 929785305 /nfs/dbraw/zinc/78/53/05/929785305.db2.gz NLXJQSMNNLWAAT-UHFFFAOYSA-N 1 2 285.779 0.548 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cn(C)nn1 ZINC001372257894 929785318 /nfs/dbraw/zinc/78/53/18/929785318.db2.gz NLXJQSMNNLWAAT-UHFFFAOYSA-N 1 2 285.779 0.548 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001373588089 930259215 /nfs/dbraw/zinc/25/92/15/930259215.db2.gz MRRCUTPQVRLVLI-JQWIXIFHSA-N 1 2 290.371 0.457 20 30 CCEDLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001373588089 930259223 /nfs/dbraw/zinc/25/92/23/930259223.db2.gz MRRCUTPQVRLVLI-JQWIXIFHSA-N 1 2 290.371 0.457 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001376564126 931181264 /nfs/dbraw/zinc/18/12/64/931181264.db2.gz CPIDYNDUHVAGDI-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001376564126 931181267 /nfs/dbraw/zinc/18/12/67/931181267.db2.gz CPIDYNDUHVAGDI-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)c1noc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001376709671 931235815 /nfs/dbraw/zinc/23/58/15/931235815.db2.gz XVJMEVMNFNFNQQ-NXEZZACHSA-N 1 2 279.344 0.947 20 30 CCEDLO CCOC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620851 361761538 /nfs/dbraw/zinc/76/15/38/361761538.db2.gz VXWNQPCPBXHGBS-OLZOCXBDSA-N 1 2 283.372 0.484 20 30 CCEDLO CCOC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620851 361761542 /nfs/dbraw/zinc/76/15/42/361761542.db2.gz VXWNQPCPBXHGBS-OLZOCXBDSA-N 1 2 283.372 0.484 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599627005 361763774 /nfs/dbraw/zinc/76/37/74/361763774.db2.gz UGQOYOGIPMZUFM-WCFLWFBJSA-N 1 2 257.330 0.027 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599627005 361763777 /nfs/dbraw/zinc/76/37/77/361763777.db2.gz UGQOYOGIPMZUFM-WCFLWFBJSA-N 1 2 257.330 0.027 20 30 CCEDLO CCC(C#N)(CC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000599700918 361791982 /nfs/dbraw/zinc/79/19/82/361791982.db2.gz XMTXISRSXQVDDU-UHFFFAOYSA-N 1 2 297.399 0.469 20 30 CCEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)[C@H](C)COC ZINC000617578133 365686219 /nfs/dbraw/zinc/68/62/19/365686219.db2.gz CVYAXANZAVONJT-KGLIPLIRSA-N 1 2 283.416 0.672 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C#N)n1 ZINC000600422104 361957450 /nfs/dbraw/zinc/95/74/50/361957450.db2.gz RBRCNJKHEJRUQJ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C#N)n1 ZINC000600422104 361957455 /nfs/dbraw/zinc/95/74/55/361957455.db2.gz RBRCNJKHEJRUQJ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001017411313 649848137 /nfs/dbraw/zinc/84/81/37/649848137.db2.gz JFEZLBNWQXZPGR-XQHKEYJVSA-N 1 2 276.336 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001017411313 649848138 /nfs/dbraw/zinc/84/81/38/649848138.db2.gz JFEZLBNWQXZPGR-XQHKEYJVSA-N 1 2 276.336 0.104 20 30 CCEDLO C[C@H](NC(=O)N1CCN(CCC#N)CC1)c1[nH+]ccn1C ZINC000601626006 362330876 /nfs/dbraw/zinc/33/08/76/362330876.db2.gz OJBQSUJDIHFRMR-LBPRGKRZSA-N 1 2 290.371 0.722 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000601715415 362363785 /nfs/dbraw/zinc/36/37/85/362363785.db2.gz MEYKMHBQGSSLEO-GFCCVEGCSA-N 1 2 263.272 0.966 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000601715415 362363789 /nfs/dbraw/zinc/36/37/89/362363789.db2.gz MEYKMHBQGSSLEO-GFCCVEGCSA-N 1 2 263.272 0.966 20 30 CCEDLO Cn1cc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000361551053 232151617 /nfs/dbraw/zinc/15/16/17/232151617.db2.gz UKZVFFPZCDGHHW-ZIAGYGMSSA-N 1 2 260.341 0.412 20 30 CCEDLO Cn1cc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000361551053 232151621 /nfs/dbraw/zinc/15/16/21/232151621.db2.gz UKZVFFPZCDGHHW-ZIAGYGMSSA-N 1 2 260.341 0.412 20 30 CCEDLO COc1cccnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602331136 362588587 /nfs/dbraw/zinc/58/85/87/362588587.db2.gz ACVOOGPEZUGQFE-ZDUSSCGKSA-N 1 2 262.313 0.664 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc2ccnn21 ZINC000602336031 362590222 /nfs/dbraw/zinc/59/02/22/362590222.db2.gz WTWWEKCGXAYHIO-CYBMUJFWSA-N 1 2 272.312 0.303 20 30 CCEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000602434833 362614529 /nfs/dbraw/zinc/61/45/29/362614529.db2.gz SBHAEICNYNHPRJ-CYBMUJFWSA-N 1 2 279.365 0.962 20 30 CCEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000602434833 362614535 /nfs/dbraw/zinc/61/45/35/362614535.db2.gz SBHAEICNYNHPRJ-CYBMUJFWSA-N 1 2 279.365 0.962 20 30 CCEDLO CNc1cc2c(nn1)CC[N@H+](CC1(CC#N)CC1)C2 ZINC000602775980 362794747 /nfs/dbraw/zinc/79/47/47/362794747.db2.gz QIMNWCVEXGOERZ-UHFFFAOYSA-N 1 2 257.341 0.992 20 30 CCEDLO CNc1cc2c(nn1)CC[N@@H+](CC1(CC#N)CC1)C2 ZINC000602775980 362794749 /nfs/dbraw/zinc/79/47/49/362794749.db2.gz QIMNWCVEXGOERZ-UHFFFAOYSA-N 1 2 257.341 0.992 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000273302628 192105517 /nfs/dbraw/zinc/10/55/17/192105517.db2.gz MBKJTKSQQQONCE-LBPRGKRZSA-N 1 2 278.356 0.884 20 30 CCEDLO CCN1OC[C@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602853321 362840341 /nfs/dbraw/zinc/84/03/41/362840341.db2.gz HRHOMAZWEQINKY-TUAOUCFPSA-N 1 2 266.345 0.067 20 30 CCEDLO CCN1OC[C@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602853321 362840343 /nfs/dbraw/zinc/84/03/43/362840343.db2.gz HRHOMAZWEQINKY-TUAOUCFPSA-N 1 2 266.345 0.067 20 30 CCEDLO C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)N1CC#N ZINC000602855395 362842194 /nfs/dbraw/zinc/84/21/94/362842194.db2.gz TXXBSZZXDYJOIK-FPCVCCKLSA-N 1 2 292.427 0.768 20 30 CCEDLO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)N1CC#N ZINC000602855395 362842196 /nfs/dbraw/zinc/84/21/96/362842196.db2.gz TXXBSZZXDYJOIK-FPCVCCKLSA-N 1 2 292.427 0.768 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H](C)[NH+]1CCOCC1 ZINC000339983611 137083646 /nfs/dbraw/zinc/08/36/46/137083646.db2.gz DJFXKHJZZAYNHA-MNOVXSKESA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O ZINC000343717131 137151796 /nfs/dbraw/zinc/15/17/96/137151796.db2.gz RHEIWTICJFZBIB-PWSUYJOCSA-N 1 2 295.364 0.040 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1O ZINC000343717131 137151797 /nfs/dbraw/zinc/15/17/97/137151797.db2.gz RHEIWTICJFZBIB-PWSUYJOCSA-N 1 2 295.364 0.040 20 30 CCEDLO N#CCC1(C[NH+]2CCN(Cc3nnc[nH]3)CC2)CC1 ZINC000602867344 362850328 /nfs/dbraw/zinc/85/03/28/362850328.db2.gz SDLAIAJLGYMSIJ-UHFFFAOYSA-N 1 2 260.345 0.616 20 30 CCEDLO N#CCC1(C[NH+]2CCN(Cc3nc[nH]n3)CC2)CC1 ZINC000602867344 362850332 /nfs/dbraw/zinc/85/03/32/362850332.db2.gz SDLAIAJLGYMSIJ-UHFFFAOYSA-N 1 2 260.345 0.616 20 30 CCEDLO C=CCNC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011678210 348018497 /nfs/dbraw/zinc/01/84/97/348018497.db2.gz DYJHGFGEDHYKJW-UHFFFAOYSA-N 1 2 263.326 0.758 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nnn(C(C)(C)C)c2=S)CC1 ZINC000029436603 348112568 /nfs/dbraw/zinc/11/25/68/348112568.db2.gz BFEALYARSKGPAI-UHFFFAOYSA-N 1 2 294.428 0.772 20 30 CCEDLO CNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257734 348084770 /nfs/dbraw/zinc/08/47/70/348084770.db2.gz FMICPNMXOWPYKK-UHFFFAOYSA-N 1 2 272.352 0.422 20 30 CCEDLO CNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257734 348084774 /nfs/dbraw/zinc/08/47/74/348084774.db2.gz FMICPNMXOWPYKK-UHFFFAOYSA-N 1 2 272.352 0.422 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000025941893 348093175 /nfs/dbraw/zinc/09/31/75/348093175.db2.gz NYHJKGWRJKBUQT-UHFFFAOYSA-N 1 2 297.362 0.726 20 30 CCEDLO CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000034674125 348151499 /nfs/dbraw/zinc/15/14/99/348151499.db2.gz YGHCLNLCYXXBNM-OAHLLOKOSA-N 1 2 273.336 0.756 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)NC(C)(C)C ZINC000602868933 362852540 /nfs/dbraw/zinc/85/25/40/362852540.db2.gz LBILNONMIXJXEO-DTWKUNHWSA-N 1 2 254.334 0.891 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042294759 348273033 /nfs/dbraw/zinc/27/30/33/348273033.db2.gz SHKFHGJGZIAAJY-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042294759 348273035 /nfs/dbraw/zinc/27/30/35/348273035.db2.gz SHKFHGJGZIAAJY-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO Cc1cc(NC(=O)N2CCN(CCC#N)CC2)cc[nH+]1 ZINC000602922839 362887078 /nfs/dbraw/zinc/88/70/78/362887078.db2.gz SYPHFRJBSVWHBJ-UHFFFAOYSA-N 1 2 273.340 0.875 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000602947042 362902644 /nfs/dbraw/zinc/90/26/44/362902644.db2.gz WJRIJSHZAIEYTE-DGCLKSJQSA-N 1 2 255.314 0.289 20 30 CCEDLO COCC#CC[N@H+]1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000602947042 362902649 /nfs/dbraw/zinc/90/26/49/362902649.db2.gz WJRIJSHZAIEYTE-DGCLKSJQSA-N 1 2 255.314 0.289 20 30 CCEDLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[C@H]1C#N ZINC000602973932 362915734 /nfs/dbraw/zinc/91/57/34/362915734.db2.gz HWOKKJFKTNHNNN-AVGNSLFASA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[C@H]1C#N ZINC000602973932 362915738 /nfs/dbraw/zinc/91/57/38/362915738.db2.gz HWOKKJFKTNHNNN-AVGNSLFASA-N 1 2 265.357 0.906 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974117 362916337 /nfs/dbraw/zinc/91/63/37/362916337.db2.gz KALXESWAWPCEPC-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974117 362916343 /nfs/dbraw/zinc/91/63/43/362916343.db2.gz KALXESWAWPCEPC-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977769 362918363 /nfs/dbraw/zinc/91/83/63/362918363.db2.gz HCDBZCMTSMPTPX-GHMZBOCLSA-N 1 2 259.375 0.550 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977769 362918367 /nfs/dbraw/zinc/91/83/67/362918367.db2.gz HCDBZCMTSMPTPX-GHMZBOCLSA-N 1 2 259.375 0.550 20 30 CCEDLO CC1(C)COCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000064247450 348697311 /nfs/dbraw/zinc/69/73/11/348697311.db2.gz DTYULNJRHYWJEN-UHFFFAOYSA-N 1 2 278.356 0.753 20 30 CCEDLO CC1(C)COCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000064247450 348697314 /nfs/dbraw/zinc/69/73/14/348697314.db2.gz DTYULNJRHYWJEN-UHFFFAOYSA-N 1 2 278.356 0.753 20 30 CCEDLO N#Cc1ccc(OCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990241 348901810 /nfs/dbraw/zinc/90/18/10/348901810.db2.gz NZMGGQFGSNHWRG-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603004134 362933670 /nfs/dbraw/zinc/93/36/70/362933670.db2.gz KYDPQCUJBWRLEG-AAEUAGOBSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603004134 362933673 /nfs/dbraw/zinc/93/36/73/362933673.db2.gz KYDPQCUJBWRLEG-AAEUAGOBSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCC ZINC000077377411 349108402 /nfs/dbraw/zinc/10/84/02/349108402.db2.gz SIZQHBYXHFRERG-GFCCVEGCSA-N 1 2 269.389 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCC ZINC000077377411 349108404 /nfs/dbraw/zinc/10/84/04/349108404.db2.gz SIZQHBYXHFRERG-GFCCVEGCSA-N 1 2 269.389 0.867 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121180399 350025940 /nfs/dbraw/zinc/02/59/40/350025940.db2.gz BCPNWBYPOFDGEO-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121180399 350025941 /nfs/dbraw/zinc/02/59/41/350025941.db2.gz BCPNWBYPOFDGEO-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000603100938 362963897 /nfs/dbraw/zinc/96/38/97/362963897.db2.gz XOCAQKVHYGXLQE-BETUJISGSA-N 1 2 289.383 0.797 20 30 CCEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000160372216 350700107 /nfs/dbraw/zinc/70/01/07/350700107.db2.gz GNFUPZZKQYKJQH-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C#Cc2ccccc2)C1 ZINC000176154041 351158525 /nfs/dbraw/zinc/15/85/25/351158525.db2.gz KNTPNWKYUOSLCI-AWEZNQCLSA-N 1 2 258.321 0.485 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)C#Cc2ccccc2)C1 ZINC000176154041 351158527 /nfs/dbraw/zinc/15/85/27/351158527.db2.gz KNTPNWKYUOSLCI-AWEZNQCLSA-N 1 2 258.321 0.485 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181285563 351310786 /nfs/dbraw/zinc/31/07/86/351310786.db2.gz NTTAHAVNKRNPGA-LLVKDONJSA-N 1 2 275.356 0.252 20 30 CCEDLO CNC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000182451016 351364107 /nfs/dbraw/zinc/36/41/07/351364107.db2.gz CKJBIOCBHCGXEN-ZDUSSCGKSA-N 1 2 299.334 0.153 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100959 351432288 /nfs/dbraw/zinc/43/22/88/351432288.db2.gz HHWGUZSBJVUNBM-ODXCJYRJSA-N 1 2 298.412 0.341 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000185100959 351432293 /nfs/dbraw/zinc/43/22/93/351432293.db2.gz HHWGUZSBJVUNBM-ODXCJYRJSA-N 1 2 298.412 0.341 20 30 CCEDLO COC[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(C)o1 ZINC000184677570 351418738 /nfs/dbraw/zinc/41/87/38/351418738.db2.gz ABMUTXDXRDPZSG-SNVBAGLBSA-N 1 2 251.286 0.505 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186720472 351510700 /nfs/dbraw/zinc/51/07/00/351510700.db2.gz ZHPOPYWLSUOGTE-OAHLLOKOSA-N 1 2 278.352 0.969 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186720472 351510703 /nfs/dbraw/zinc/51/07/03/351510703.db2.gz ZHPOPYWLSUOGTE-OAHLLOKOSA-N 1 2 278.352 0.969 20 30 CCEDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)CCO1 ZINC000603358881 363086701 /nfs/dbraw/zinc/08/67/01/363086701.db2.gz NJNHTHRXNYKBOJ-SECBINFHSA-N 1 2 265.273 0.384 20 30 CCEDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)CCO1 ZINC000603358881 363086704 /nfs/dbraw/zinc/08/67/04/363086704.db2.gz NJNHTHRXNYKBOJ-SECBINFHSA-N 1 2 265.273 0.384 20 30 CCEDLO N#Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000603359457 363087035 /nfs/dbraw/zinc/08/70/35/363087035.db2.gz PDQUBOMMXKOOLV-AOOOYVTPSA-N 1 2 277.284 0.526 20 30 CCEDLO N#Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000603359457 363087039 /nfs/dbraw/zinc/08/70/39/363087039.db2.gz PDQUBOMMXKOOLV-AOOOYVTPSA-N 1 2 277.284 0.526 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191194020 351750837 /nfs/dbraw/zinc/75/08/37/351750837.db2.gz LJSWGAJMIWRLJN-UHFFFAOYSA-N 1 2 278.356 0.481 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191194020 351750842 /nfs/dbraw/zinc/75/08/42/351750842.db2.gz LJSWGAJMIWRLJN-UHFFFAOYSA-N 1 2 278.356 0.481 20 30 CCEDLO N#Cc1c[nH]c(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)c1 ZINC000231028729 352125901 /nfs/dbraw/zinc/12/59/01/352125901.db2.gz KPDPNMFVVRMPAI-NSHDSACASA-N 1 2 270.296 0.609 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1C ZINC000233493307 352151421 /nfs/dbraw/zinc/15/14/21/352151421.db2.gz PWEDHEBOVYWEQA-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1C ZINC000233493307 352151424 /nfs/dbraw/zinc/15/14/24/352151424.db2.gz PWEDHEBOVYWEQA-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC000264869057 352604185 /nfs/dbraw/zinc/60/41/85/352604185.db2.gz GHCYDPRYSWMTBE-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC000264869057 352604187 /nfs/dbraw/zinc/60/41/87/352604187.db2.gz GHCYDPRYSWMTBE-UHFFFAOYSA-N 1 2 277.368 0.070 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000266493334 352705775 /nfs/dbraw/zinc/70/57/75/352705775.db2.gz CBERNMLPDADTKP-UHFFFAOYSA-N 1 2 288.347 0.449 20 30 CCEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)nc1 ZINC000269983983 352892819 /nfs/dbraw/zinc/89/28/19/352892819.db2.gz RQSHWMRXYOXGCS-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)nc1 ZINC000269983983 352892822 /nfs/dbraw/zinc/89/28/22/352892822.db2.gz RQSHWMRXYOXGCS-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO C#CCCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272638872 353081440 /nfs/dbraw/zinc/08/14/40/353081440.db2.gz XFRAAJLYJWYXCF-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272638872 353081442 /nfs/dbraw/zinc/08/14/42/353081442.db2.gz XFRAAJLYJWYXCF-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)CC=C)CC1 ZINC000272865920 353101922 /nfs/dbraw/zinc/10/19/22/353101922.db2.gz NSUODBXVWAFNKO-UHFFFAOYSA-N 1 2 298.408 0.049 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc(C#N)c1 ZINC000283422953 353507593 /nfs/dbraw/zinc/50/75/93/353507593.db2.gz AXDXDAMGIPPXDC-AWEZNQCLSA-N 1 2 276.340 0.083 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](O)C2)nc1 ZINC000290196370 353714331 /nfs/dbraw/zinc/71/43/31/353714331.db2.gz GHVVFWBQHGHARY-GFCCVEGCSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](O)C2)nc1 ZINC000290196370 353714334 /nfs/dbraw/zinc/71/43/34/353714334.db2.gz GHVVFWBQHGHARY-GFCCVEGCSA-N 1 2 295.364 0.184 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209324 353936979 /nfs/dbraw/zinc/93/69/79/353936979.db2.gz NGZPGARUXVGEKA-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209324 353936982 /nfs/dbraw/zinc/93/69/82/353936982.db2.gz NGZPGARUXVGEKA-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000295478179 353897480 /nfs/dbraw/zinc/89/74/80/353897480.db2.gz MLGAMWWZYQDTRG-UHFFFAOYSA-N 1 2 291.336 0.648 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299002597 353982309 /nfs/dbraw/zinc/98/23/09/353982309.db2.gz BDFNSFBLFOFHDI-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000330268847 354314765 /nfs/dbraw/zinc/31/47/65/354314765.db2.gz IXMPAFVMHLXDLU-MNOVXSKESA-N 1 2 264.329 0.833 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000332229228 354632036 /nfs/dbraw/zinc/63/20/36/354632036.db2.gz NVEKNMSIQTZVFU-LSDHHAIUSA-N 1 2 285.347 0.642 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000332229228 354632038 /nfs/dbraw/zinc/63/20/38/354632038.db2.gz NVEKNMSIQTZVFU-LSDHHAIUSA-N 1 2 285.347 0.642 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000557571423 291036290 /nfs/dbraw/zinc/03/62/90/291036290.db2.gz CLYRPCWMUPZMDB-NSHDSACASA-N 1 2 261.329 0.211 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000557571423 291036291 /nfs/dbraw/zinc/03/62/91/291036291.db2.gz CLYRPCWMUPZMDB-NSHDSACASA-N 1 2 261.329 0.211 20 30 CCEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000336842811 355213642 /nfs/dbraw/zinc/21/36/42/355213642.db2.gz VMXIIJFLBASKMW-SNVBAGLBSA-N 1 2 294.380 0.586 20 30 CCEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000336842811 355213644 /nfs/dbraw/zinc/21/36/44/355213644.db2.gz VMXIIJFLBASKMW-SNVBAGLBSA-N 1 2 294.380 0.586 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](COC)C2)C1=O ZINC000337176572 355277567 /nfs/dbraw/zinc/27/75/67/355277567.db2.gz JLLFQLZIZGDQOP-NWDGAFQWSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](COC)C2)C1=O ZINC000337176572 355277570 /nfs/dbraw/zinc/27/75/70/355277570.db2.gz JLLFQLZIZGDQOP-NWDGAFQWSA-N 1 2 254.330 0.121 20 30 CCEDLO CCS(=O)(=O)CCCNc1cc(C)[nH+]cc1C#N ZINC000425269369 235279261 /nfs/dbraw/zinc/27/92/61/235279261.db2.gz QZSUMDOUOMGKEP-UHFFFAOYSA-N 1 2 267.354 0.920 20 30 CCEDLO Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc(C#N)n1 ZINC000341356526 355658683 /nfs/dbraw/zinc/65/86/83/355658683.db2.gz GAVXHEJHOYRPHO-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352831091 356092249 /nfs/dbraw/zinc/09/22/49/356092249.db2.gz BVNCBKRSNCPIJI-QMMMGPOBSA-N 1 2 273.383 0.928 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000619621063 366302940 /nfs/dbraw/zinc/30/29/40/366302940.db2.gz SMWQCEWAYDVOSS-LSDHHAIUSA-N 1 2 290.411 0.939 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485421 363498433 /nfs/dbraw/zinc/49/84/33/363498433.db2.gz PURGTHCIZKVIMJ-VXGBXAGGSA-N 1 2 252.362 0.416 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000609484370 363498828 /nfs/dbraw/zinc/49/88/28/363498828.db2.gz BDZUPXSJTFXQAE-CQSZACIVSA-N 1 2 278.400 0.773 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000609485129 363499209 /nfs/dbraw/zinc/49/92/09/363499209.db2.gz JQIWSEUTFSNTMY-CYBMUJFWSA-N 1 2 264.373 0.431 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639124 412636295 /nfs/dbraw/zinc/63/62/95/412636295.db2.gz NOXIXYIRXHWTDS-UPJWGTAASA-N 1 2 290.429 0.980 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639124 412636304 /nfs/dbraw/zinc/63/63/04/412636304.db2.gz NOXIXYIRXHWTDS-UPJWGTAASA-N 1 2 290.429 0.980 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000619715970 366332665 /nfs/dbraw/zinc/33/26/65/366332665.db2.gz DYRDOSZNAKQLKU-STQMWFEESA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000619715970 366332676 /nfs/dbraw/zinc/33/26/76/366332676.db2.gz DYRDOSZNAKQLKU-STQMWFEESA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000619716668 366334225 /nfs/dbraw/zinc/33/42/25/366334225.db2.gz SVPBEPPKDFFYEX-ZDUSSCGKSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)NC)CC1 ZINC000619718354 366337608 /nfs/dbraw/zinc/33/76/08/366337608.db2.gz LERKSVXCTCZCHT-LLVKDONJSA-N 1 2 254.330 0.562 20 30 CCEDLO C[C@H]1CC(NC(=O)C2([NH+]3CCOCC3)CCC2)=NO1 ZINC000360713652 357040707 /nfs/dbraw/zinc/04/07/07/357040707.db2.gz PANCXUKFDHIPTE-JTQLQIEISA-N 1 2 267.329 0.480 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000368199818 357328398 /nfs/dbraw/zinc/32/83/98/357328398.db2.gz BHEFIEYSENRXSZ-LBPRGKRZSA-N 1 2 288.355 0.302 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[nH]1 ZINC000610584927 363581997 /nfs/dbraw/zinc/58/19/97/363581997.db2.gz MVBPFOQTFWFETE-UHFFFAOYSA-N 1 2 299.338 0.848 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[nH]1 ZINC000610584927 363582004 /nfs/dbraw/zinc/58/20/04/363582004.db2.gz MVBPFOQTFWFETE-UHFFFAOYSA-N 1 2 299.338 0.848 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H](C)[NH+]1CCOCC1 ZINC000448919109 236008407 /nfs/dbraw/zinc/00/84/07/236008407.db2.gz YBGLKUYETUUZSK-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294344157 199005781 /nfs/dbraw/zinc/00/57/81/199005781.db2.gz ITSBUXSECWTLFV-AWEZNQCLSA-N 1 2 287.363 0.764 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nccnc1C#N ZINC000286278360 291131282 /nfs/dbraw/zinc/13/12/82/291131282.db2.gz HWDFTTAPBPGECD-RYUDHWBXSA-N 1 2 273.340 0.648 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000450132140 358254201 /nfs/dbraw/zinc/25/42/01/358254201.db2.gz OWEYUMZKOZGGTK-LBPRGKRZSA-N 1 2 270.373 0.350 20 30 CCEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000495706931 358317795 /nfs/dbraw/zinc/31/77/95/358317795.db2.gz OQPZSJJBVVBMTD-LBPRGKRZSA-N 1 2 296.371 0.569 20 30 CCEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000495706931 358317798 /nfs/dbraw/zinc/31/77/98/358317798.db2.gz OQPZSJJBVVBMTD-LBPRGKRZSA-N 1 2 296.371 0.569 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)nc1 ZINC000573384124 358963215 /nfs/dbraw/zinc/96/32/15/358963215.db2.gz QNVNBKHNSRZVKZ-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)nc1 ZINC000573384124 358963218 /nfs/dbraw/zinc/96/32/18/358963218.db2.gz QNVNBKHNSRZVKZ-CHWSQXEVSA-N 1 2 272.308 0.043 20 30 CCEDLO COC(=O)Cc1occc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573210464 358948867 /nfs/dbraw/zinc/94/88/67/358948867.db2.gz KNPYVDVTXTYMMX-CQSZACIVSA-N 1 2 293.323 0.569 20 30 CCEDLO Cc1sc(=O)n(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000581642776 359126437 /nfs/dbraw/zinc/12/64/37/359126437.db2.gz GNYWFYUVTHDSEH-CYBMUJFWSA-N 1 2 296.396 0.487 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000588212810 359317742 /nfs/dbraw/zinc/31/77/42/359317742.db2.gz OVJLDUZEEDKJOU-VXGBXAGGSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000588212810 359317745 /nfs/dbraw/zinc/31/77/45/359317745.db2.gz OVJLDUZEEDKJOU-VXGBXAGGSA-N 1 2 266.341 0.658 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992903 363644219 /nfs/dbraw/zinc/64/42/19/363644219.db2.gz RDWCDDOUCYZAHD-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO CC[N@@H+]1CCN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@H]1C ZINC000611095579 363659720 /nfs/dbraw/zinc/65/97/20/363659720.db2.gz RWSMDKSWSWDRNY-SNVBAGLBSA-N 1 2 276.344 0.272 20 30 CCEDLO CC[N@H+]1CCN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@H]1C ZINC000611095579 363659725 /nfs/dbraw/zinc/65/97/25/363659725.db2.gz RWSMDKSWSWDRNY-SNVBAGLBSA-N 1 2 276.344 0.272 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000590012373 359416904 /nfs/dbraw/zinc/41/69/04/359416904.db2.gz DVZLEOPZDRHGMF-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000589630000 359394452 /nfs/dbraw/zinc/39/44/52/359394452.db2.gz QWKSOZJHAAQQRD-ZANVPECISA-N 1 2 277.303 0.914 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000589630000 359394454 /nfs/dbraw/zinc/39/44/54/359394454.db2.gz QWKSOZJHAAQQRD-ZANVPECISA-N 1 2 277.303 0.914 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591056214 359551010 /nfs/dbraw/zinc/55/10/10/359551010.db2.gz DBPBOCONNLCXPO-MFKMUULPSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591056214 359551012 /nfs/dbraw/zinc/55/10/12/359551012.db2.gz DBPBOCONNLCXPO-MFKMUULPSA-N 1 2 255.314 0.989 20 30 CCEDLO Cc1cc(N2CCC[C@H](S(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591817833 359662041 /nfs/dbraw/zinc/66/20/41/359662041.db2.gz RQBSHCQRMLQATQ-NSHDSACASA-N 1 2 280.353 0.519 20 30 CCEDLO Cn1ncc2c1nc(N[C@@H]1CC[C@H](C#N)C1)[nH+]c2N ZINC000591827964 359664351 /nfs/dbraw/zinc/66/43/51/359664351.db2.gz AYCLYTLVLAPDOO-JGVFFNPUSA-N 1 2 257.301 0.472 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591997983 359723307 /nfs/dbraw/zinc/72/33/07/359723307.db2.gz GCCVTHCOLSFNKA-PWSUYJOCSA-N 1 2 275.308 0.622 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000592061131 359744932 /nfs/dbraw/zinc/74/49/32/359744932.db2.gz ZERTVEIODIPVOW-UHFFFAOYSA-N 1 2 285.351 0.943 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCN4C(=O)CC[C@H]4C3)cnc12 ZINC000563154979 291200368 /nfs/dbraw/zinc/20/03/68/291200368.db2.gz WIOWWVPNSUHCEY-ZDUSSCGKSA-N 1 2 296.334 0.408 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCN4C(=O)CC[C@H]4C3)cnc12 ZINC000563154979 291200370 /nfs/dbraw/zinc/20/03/70/291200370.db2.gz WIOWWVPNSUHCEY-ZDUSSCGKSA-N 1 2 296.334 0.408 20 30 CCEDLO CN(C)c1[nH+]cc(CN2CC[C@](O)(CC#N)C2)n1C ZINC000592522318 359870232 /nfs/dbraw/zinc/87/02/32/359870232.db2.gz LUBDPJYDCDAYAL-CYBMUJFWSA-N 1 2 263.345 0.337 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000297718295 200267826 /nfs/dbraw/zinc/26/78/26/200267826.db2.gz GNIVTJBVXXZDTR-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO COc1cc(C[NH+]2CC(N3CCNC3=O)C2)ccc1C#N ZINC000298076643 200328896 /nfs/dbraw/zinc/32/88/96/200328896.db2.gz LLTKVMGGPWMZED-UHFFFAOYSA-N 1 2 286.335 0.776 20 30 CCEDLO C[C@@H](OCC1CC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155326 360048306 /nfs/dbraw/zinc/04/83/06/360048306.db2.gz NBHMJCRJBIVSFY-ZWNOBZJWSA-N 1 2 253.346 0.762 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000593016921 360015352 /nfs/dbraw/zinc/01/53/52/360015352.db2.gz YUOHJBDIECUOSB-TXEJJXNPSA-N 1 2 263.253 0.004 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000593016921 360015355 /nfs/dbraw/zinc/01/53/55/360015355.db2.gz YUOHJBDIECUOSB-TXEJJXNPSA-N 1 2 263.253 0.004 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000593456366 360092702 /nfs/dbraw/zinc/09/27/02/360092702.db2.gz RXFDLEHPBAIDMV-QJPTWQEYSA-N 1 2 253.346 0.762 20 30 CCEDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352908028 219731730 /nfs/dbraw/zinc/73/17/30/219731730.db2.gz XDAWTHAWYGNFPB-MRVPVSSYSA-N 1 2 252.343 0.971 20 30 CCEDLO CC[C@@H](C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000593668034 360131458 /nfs/dbraw/zinc/13/14/58/360131458.db2.gz CKZGPFXFMAVVLU-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO Cn1cnnc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000594021907 360236574 /nfs/dbraw/zinc/23/65/74/360236574.db2.gz BLUYWLBFYILCKU-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)c(F)c1 ZINC000594649233 360348294 /nfs/dbraw/zinc/34/82/94/360348294.db2.gz HKPSUVSAGASWQZ-CQSZACIVSA-N 1 2 287.298 0.998 20 30 CCEDLO N#Cc1cccc(-n2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000594650815 360349614 /nfs/dbraw/zinc/34/96/14/360349614.db2.gz DQNWCEBZNYLGOD-CYBMUJFWSA-N 1 2 255.281 0.800 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C(N)=O)O1 ZINC000177257638 189040236 /nfs/dbraw/zinc/04/02/36/189040236.db2.gz UFMXGNLAQCLPJT-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C(N)=O)O1 ZINC000177257638 189040237 /nfs/dbraw/zinc/04/02/37/189040237.db2.gz UFMXGNLAQCLPJT-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2ccnc(C(=O)OC)c2)nn1 ZINC000594658657 360356514 /nfs/dbraw/zinc/35/65/14/360356514.db2.gz ZFBJVUVUANQOLQ-UHFFFAOYSA-N 1 2 285.307 0.562 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595331843 360498302 /nfs/dbraw/zinc/49/83/02/360498302.db2.gz FMUBIBHGQFAVHJ-LLVKDONJSA-N 1 2 267.329 0.386 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595331843 360498308 /nfs/dbraw/zinc/49/83/08/360498308.db2.gz FMUBIBHGQFAVHJ-LLVKDONJSA-N 1 2 267.329 0.386 20 30 CCEDLO CN1CC(=O)N(CC[N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595425673 360527639 /nfs/dbraw/zinc/52/76/39/360527639.db2.gz KYEFNGRBSLXLIJ-CYBMUJFWSA-N 1 2 264.329 0.506 20 30 CCEDLO CN1CC(=O)N(CC[N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595425673 360527644 /nfs/dbraw/zinc/52/76/44/360527644.db2.gz KYEFNGRBSLXLIJ-CYBMUJFWSA-N 1 2 264.329 0.506 20 30 CCEDLO C[C@]1(C#N)CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000595435146 360532643 /nfs/dbraw/zinc/53/26/43/360532643.db2.gz KTIYKVPNNONGID-CYBMUJFWSA-N 1 2 266.345 0.264 20 30 CCEDLO C[C@@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177968288 189082411 /nfs/dbraw/zinc/08/24/11/189082411.db2.gz ZGVTZBQZIXUJOG-CQSZACIVSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177968288 189082412 /nfs/dbraw/zinc/08/24/12/189082412.db2.gz ZGVTZBQZIXUJOG-CQSZACIVSA-N 1 2 294.376 0.789 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620732 360600346 /nfs/dbraw/zinc/60/03/46/360600346.db2.gz PNTCEECJBYLLJS-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620732 360600351 /nfs/dbraw/zinc/60/03/51/360600351.db2.gz PNTCEECJBYLLJS-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838622 360674868 /nfs/dbraw/zinc/67/48/68/360674868.db2.gz CLKAFMACGBTIEI-CQSZACIVSA-N 1 2 275.356 0.614 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838622 360674870 /nfs/dbraw/zinc/67/48/70/360674870.db2.gz CLKAFMACGBTIEI-CQSZACIVSA-N 1 2 275.356 0.614 20 30 CCEDLO CCc1nc(C#N)cc(N(C)CC[NH+]2CCOCC2)n1 ZINC000596104247 360795114 /nfs/dbraw/zinc/79/51/14/360795114.db2.gz IOASKRKUTDPJKJ-UHFFFAOYSA-N 1 2 275.356 0.679 20 30 CCEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)CC2CC2)nn1 ZINC000596514527 360913753 /nfs/dbraw/zinc/91/37/53/360913753.db2.gz KFRPVYBQXJLZIX-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N3)CC2)cc1 ZINC000596657360 360937174 /nfs/dbraw/zinc/93/71/74/360937174.db2.gz RFLJLBBITUTBEJ-CQSZACIVSA-N 1 2 298.346 0.091 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ncc[nH]1 ZINC000597023396 360995076 /nfs/dbraw/zinc/99/50/76/360995076.db2.gz UPWPWCDXFBCUKZ-UHFFFAOYSA-N 1 2 277.328 0.098 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597135208 361012357 /nfs/dbraw/zinc/01/23/57/361012357.db2.gz IUIMUBLUUJTHSB-NSHDSACASA-N 1 2 276.340 0.903 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597135208 361012362 /nfs/dbraw/zinc/01/23/62/361012362.db2.gz IUIMUBLUUJTHSB-NSHDSACASA-N 1 2 276.340 0.903 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)CC#N ZINC000597167818 361021838 /nfs/dbraw/zinc/02/18/38/361021838.db2.gz ZRPYXEKWUNVECX-VXGBXAGGSA-N 1 2 252.362 0.288 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCSC[C@@H]1C#N ZINC000597476932 361108225 /nfs/dbraw/zinc/10/82/25/361108225.db2.gz MJFSJARWVLTFTJ-HBNTYKKESA-N 1 2 276.365 0.991 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000597623860 361165637 /nfs/dbraw/zinc/16/56/37/361165637.db2.gz CQPIZGPGEAOLFY-INIZCTEOSA-N 1 2 298.390 0.607 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000597623860 361165638 /nfs/dbraw/zinc/16/56/38/361165638.db2.gz CQPIZGPGEAOLFY-INIZCTEOSA-N 1 2 298.390 0.607 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@@H](C#N)CO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597744326 361227655 /nfs/dbraw/zinc/22/76/55/361227655.db2.gz RIGCYBDFHFVBSX-RNJOBUHISA-N 1 2 283.372 0.121 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@@H](C#N)CO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597744326 361227661 /nfs/dbraw/zinc/22/76/61/361227661.db2.gz RIGCYBDFHFVBSX-RNJOBUHISA-N 1 2 283.372 0.121 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597754954 361235564 /nfs/dbraw/zinc/23/55/64/361235564.db2.gz KJQOOKUCXPRHKT-LLVKDONJSA-N 1 2 262.313 0.444 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000597772875 361239289 /nfs/dbraw/zinc/23/92/89/361239289.db2.gz PJCDRBQKNSJROO-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000597772875 361239295 /nfs/dbraw/zinc/23/92/95/361239295.db2.gz PJCDRBQKNSJROO-CQSZACIVSA-N 1 2 271.320 0.778 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)[C@H](C)CO1 ZINC000597992802 361300875 /nfs/dbraw/zinc/30/08/75/361300875.db2.gz CXBQMJNFQOITGN-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)[C@H](C)CO1 ZINC000597992802 361300877 /nfs/dbraw/zinc/30/08/77/361300877.db2.gz CXBQMJNFQOITGN-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)[C@@H](C)CO1 ZINC000597998745 361306050 /nfs/dbraw/zinc/30/60/50/361306050.db2.gz QKCISAKKLFVQCV-NWDGAFQWSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)[C@@H](C)CO1 ZINC000597998745 361306056 /nfs/dbraw/zinc/30/60/56/361306056.db2.gz QKCISAKKLFVQCV-NWDGAFQWSA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000598945774 361536419 /nfs/dbraw/zinc/53/64/19/361536419.db2.gz CBAMAZCVBNFARD-VIFPVBQESA-N 1 2 255.281 0.828 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000599191640 361606146 /nfs/dbraw/zinc/60/61/46/361606146.db2.gz BIOFBWSNEYQZTK-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000599191640 361606152 /nfs/dbraw/zinc/60/61/52/361606152.db2.gz BIOFBWSNEYQZTK-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599377105 361673185 /nfs/dbraw/zinc/67/31/85/361673185.db2.gz HLYINZMOAHQXSU-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599377105 361673191 /nfs/dbraw/zinc/67/31/91/361673191.db2.gz HLYINZMOAHQXSU-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1C ZINC000613271954 364193190 /nfs/dbraw/zinc/19/31/90/364193190.db2.gz IYWOCBUCSNBAGW-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1C ZINC000613271954 364193194 /nfs/dbraw/zinc/19/31/94/364193194.db2.gz IYWOCBUCSNBAGW-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000614179089 364521737 /nfs/dbraw/zinc/52/17/37/364521737.db2.gz PSPPJGSBIOPSET-AWEZNQCLSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000614179089 364521744 /nfs/dbraw/zinc/52/17/44/364521744.db2.gz PSPPJGSBIOPSET-AWEZNQCLSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C[C@H](O)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000614576460 364665592 /nfs/dbraw/zinc/66/55/92/364665592.db2.gz HZQKHGLEMWLHDE-ZDUSSCGKSA-N 1 2 289.339 0.192 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614662275 364696548 /nfs/dbraw/zinc/69/65/48/364696548.db2.gz YKWAAMRKMHRPSK-XHDPSFHLSA-N 1 2 293.367 0.094 20 30 CCEDLO Cc1cn2c([nH+]1)CN(CC(=O)NC1(C#N)CCC1)CC2 ZINC000615230215 364889570 /nfs/dbraw/zinc/88/95/70/364889570.db2.gz PWIZGYNHGCOJGB-UHFFFAOYSA-N 1 2 273.340 0.570 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCCC1 ZINC000615222689 364887841 /nfs/dbraw/zinc/88/78/41/364887841.db2.gz XFSNDIOQDHOEIC-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCCC1 ZINC000615222689 364887851 /nfs/dbraw/zinc/88/78/51/364887851.db2.gz XFSNDIOQDHOEIC-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCSC1 ZINC000615742244 365072807 /nfs/dbraw/zinc/07/28/07/365072807.db2.gz QRBPBBQRSBAYHI-MFKMUULPSA-N 1 2 276.365 0.961 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623768875 367653672 /nfs/dbraw/zinc/65/36/72/367653672.db2.gz CEHMUKAUWMLLIB-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623768875 367653678 /nfs/dbraw/zinc/65/36/78/367653678.db2.gz CEHMUKAUWMLLIB-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624164039 367769637 /nfs/dbraw/zinc/76/96/37/367769637.db2.gz UYMQDAJUWMXOIX-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624164039 367769641 /nfs/dbraw/zinc/76/96/41/367769641.db2.gz UYMQDAJUWMXOIX-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000625354933 368159107 /nfs/dbraw/zinc/15/91/07/368159107.db2.gz WMJGKMDKTZFVQP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625365443 368163760 /nfs/dbraw/zinc/16/37/60/368163760.db2.gz RDJOBBJXYFJNBT-UHFFFAOYSA-N 1 2 299.330 0.093 20 30 CCEDLO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625365443 368163765 /nfs/dbraw/zinc/16/37/65/368163765.db2.gz RDJOBBJXYFJNBT-UHFFFAOYSA-N 1 2 299.330 0.093 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626171476 368472963 /nfs/dbraw/zinc/47/29/63/368472963.db2.gz CFHCPPXQWINOJD-AAEUAGOBSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626171476 368472966 /nfs/dbraw/zinc/47/29/66/368472966.db2.gz CFHCPPXQWINOJD-AAEUAGOBSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCOCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636984209 373856409 /nfs/dbraw/zinc/85/64/09/373856409.db2.gz ZYBVIGSQVOOHPK-NSHDSACASA-N 1 2 264.329 0.700 20 30 CCEDLO C=CCN(C(=O)[C@H]1COCC[N@H+]1CC)[C@H](C)COC ZINC000637401184 374135362 /nfs/dbraw/zinc/13/53/62/374135362.db2.gz AMGKQWSUNYIUTK-CHWSQXEVSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCN(C(=O)[C@H]1COCC[N@@H+]1CC)[C@H](C)COC ZINC000637401184 374135371 /nfs/dbraw/zinc/13/53/71/374135371.db2.gz AMGKQWSUNYIUTK-CHWSQXEVSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)nn1 ZINC000640006969 376185251 /nfs/dbraw/zinc/18/52/51/376185251.db2.gz WROASMUDPZIFKJ-KBPBESRZSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)nn1 ZINC000640006969 376185255 /nfs/dbraw/zinc/18/52/55/376185255.db2.gz WROASMUDPZIFKJ-KBPBESRZSA-N 1 2 280.372 0.826 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCCCC2)nn1 ZINC000640808771 376555516 /nfs/dbraw/zinc/55/55/16/376555516.db2.gz VIZPMXVMATWSHI-ZDUSSCGKSA-N 1 2 289.383 0.965 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640883624 376595931 /nfs/dbraw/zinc/59/59/31/376595931.db2.gz KRGOLFKBEWQMLN-GFCCVEGCSA-N 1 2 293.371 0.016 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640883769 376598619 /nfs/dbraw/zinc/59/86/19/376598619.db2.gz NJQOXNOFCGHJHU-NSHDSACASA-N 1 2 281.360 0.220 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640883769 376598622 /nfs/dbraw/zinc/59/86/22/376598622.db2.gz NJQOXNOFCGHJHU-NSHDSACASA-N 1 2 281.360 0.220 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cnccn2)nn1 ZINC000641061270 376730758 /nfs/dbraw/zinc/73/07/58/376730758.db2.gz GDFXPSKWGGNEFG-LLVKDONJSA-N 1 2 256.313 0.790 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(=O)NC)c2)nn1 ZINC000641046983 376711534 /nfs/dbraw/zinc/71/15/34/376711534.db2.gz ONUFFGYZWHPJAF-UHFFFAOYSA-N 1 2 297.362 0.799 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2n[nH]c(CC)n2)nn1 ZINC000641208099 376882011 /nfs/dbraw/zinc/88/20/11/376882011.db2.gz SMXVFANCVQUGDJ-JTQLQIEISA-N 1 2 273.344 0.681 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(CC)[nH]2)nn1 ZINC000641208099 376882019 /nfs/dbraw/zinc/88/20/19/376882019.db2.gz SMXVFANCVQUGDJ-JTQLQIEISA-N 1 2 273.344 0.681 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)C[C@](C)(O)C2CC2)nn1 ZINC000641232724 376933233 /nfs/dbraw/zinc/93/32/33/376933233.db2.gz RXGCEPVGOBQEPK-GJZGRUSLSA-N 1 2 292.383 0.303 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000685002471 545784924 /nfs/dbraw/zinc/78/49/24/545784924.db2.gz RSHUCOZOVSUNIH-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000685002471 545784928 /nfs/dbraw/zinc/78/49/28/545784928.db2.gz RSHUCOZOVSUNIH-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC(C)(C(N)=O)C1 ZINC000517027062 249198104 /nfs/dbraw/zinc/19/81/04/249198104.db2.gz DLIPZIBAXZVFOY-SNVBAGLBSA-N 1 2 286.335 0.692 20 30 CCEDLO CO[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289463207 197359114 /nfs/dbraw/zinc/35/91/14/197359114.db2.gz QHPRWBVAKYRLQA-NSHDSACASA-N 1 2 297.380 0.694 20 30 CCEDLO CO[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289463207 197359116 /nfs/dbraw/zinc/35/91/16/197359116.db2.gz QHPRWBVAKYRLQA-NSHDSACASA-N 1 2 297.380 0.694 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278900214 194202491 /nfs/dbraw/zinc/20/24/91/194202491.db2.gz VHABJKJZUWNDKX-TXEJJXNPSA-N 1 2 295.726 0.188 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278900214 194202492 /nfs/dbraw/zinc/20/24/92/194202492.db2.gz VHABJKJZUWNDKX-TXEJJXNPSA-N 1 2 295.726 0.188 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278900218 194202997 /nfs/dbraw/zinc/20/29/97/194202997.db2.gz VHABJKJZUWNDKX-VXGBXAGGSA-N 1 2 295.726 0.188 20 30 CCEDLO N#Cc1cncnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000570483895 291760010 /nfs/dbraw/zinc/76/00/10/291760010.db2.gz RYDZZIVEJIBNDU-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])[nH]c1C#N ZINC000571044902 291786891 /nfs/dbraw/zinc/78/68/91/291786891.db2.gz LAYXCXRUBPCZKM-BDAKNGLRSA-N 1 2 272.312 0.999 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000281373970 195214643 /nfs/dbraw/zinc/21/46/43/195214643.db2.gz UABXXFDELBGBDB-JTQLQIEISA-N 1 2 277.324 0.598 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000282850104 388758679 /nfs/dbraw/zinc/75/86/79/388758679.db2.gz SDVWHMSOONYJOX-ZYOFXKKJSA-N 1 2 274.324 0.668 20 30 CCEDLO C=C[C@@H](CO)[NH2+]Cc1c(Br)cnn1C ZINC000289871333 388897424 /nfs/dbraw/zinc/89/74/24/388897424.db2.gz PBVUEYCUWPUOKW-ZETCQYMHSA-N 1 2 260.135 0.819 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000291196080 388919208 /nfs/dbraw/zinc/91/92/08/388919208.db2.gz TXNJIKRLTQIRGD-NWDGAFQWSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000291196080 388919211 /nfs/dbraw/zinc/91/92/11/388919211.db2.gz TXNJIKRLTQIRGD-NWDGAFQWSA-N 1 2 278.356 0.787 20 30 CCEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCS(=O)CC1 ZINC000049691686 388922012 /nfs/dbraw/zinc/92/20/12/388922012.db2.gz WTNFIFJEPJNSFB-UHFFFAOYSA-N 1 2 291.376 0.951 20 30 CCEDLO C=CCN(C(=O)C[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000058823612 388935494 /nfs/dbraw/zinc/93/54/94/388935494.db2.gz UICSREPJHMBZEH-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000065955148 388944669 /nfs/dbraw/zinc/94/46/69/388944669.db2.gz ILUJUSXAZHUZCV-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000065955148 388944673 /nfs/dbraw/zinc/94/46/73/388944673.db2.gz ILUJUSXAZHUZCV-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC000292180891 388945717 /nfs/dbraw/zinc/94/57/17/388945717.db2.gz HCZUDKDAPPZMEL-UHFFFAOYSA-N 1 2 289.383 0.949 20 30 CCEDLO C=CCCOCCNC(=O)NCc1c[nH+]cn1C ZINC000292292704 388947522 /nfs/dbraw/zinc/94/75/22/388947522.db2.gz HJJAVLDLUQQPTA-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000292983066 388974775 /nfs/dbraw/zinc/97/47/75/388974775.db2.gz BNHSEDCUKJWQKN-ZDUSSCGKSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000292983066 388974778 /nfs/dbraw/zinc/97/47/78/388974778.db2.gz BNHSEDCUKJWQKN-ZDUSSCGKSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000293151168 388980178 /nfs/dbraw/zinc/98/01/78/388980178.db2.gz OCFVIETUJAWHPI-YPMHNXCESA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000293151168 388980183 /nfs/dbraw/zinc/98/01/83/388980183.db2.gz OCFVIETUJAWHPI-YPMHNXCESA-N 1 2 268.357 0.645 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192172679 389028414 /nfs/dbraw/zinc/02/84/14/389028414.db2.gz ZHFJIIBSNSIWDL-AWEZNQCLSA-N 1 2 258.321 0.485 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192172679 389028417 /nfs/dbraw/zinc/02/84/17/389028417.db2.gz ZHFJIIBSNSIWDL-AWEZNQCLSA-N 1 2 258.321 0.485 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000192226683 389029407 /nfs/dbraw/zinc/02/94/07/389029407.db2.gz QAWKVXYUCVDHJJ-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000192226683 389029415 /nfs/dbraw/zinc/02/94/15/389029415.db2.gz QAWKVXYUCVDHJJ-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nncs1 ZINC000191147632 389007438 /nfs/dbraw/zinc/00/74/38/389007438.db2.gz HHOCXSWQERIDDA-UHFFFAOYSA-N 1 2 256.331 0.611 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nncs1 ZINC000191147632 389007440 /nfs/dbraw/zinc/00/74/40/389007440.db2.gz HHOCXSWQERIDDA-UHFFFAOYSA-N 1 2 256.331 0.611 20 30 CCEDLO CC[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000191703392 389014768 /nfs/dbraw/zinc/01/47/68/389014768.db2.gz HKBRTYOKMDGSJU-UHFFFAOYSA-N 1 2 266.345 0.136 20 30 CCEDLO CC[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000191703392 389014772 /nfs/dbraw/zinc/01/47/72/389014772.db2.gz HKBRTYOKMDGSJU-UHFFFAOYSA-N 1 2 266.345 0.136 20 30 CCEDLO COCC[N@H+](CC#Cc1ccccc1)[C@@H](C)C(N)=O ZINC000192011949 389023415 /nfs/dbraw/zinc/02/34/15/389023415.db2.gz DNMNFIHSPBJZEG-ZDUSSCGKSA-N 1 2 260.337 0.860 20 30 CCEDLO COCC[N@@H+](CC#Cc1ccccc1)[C@@H](C)C(N)=O ZINC000192011949 389023418 /nfs/dbraw/zinc/02/34/18/389023418.db2.gz DNMNFIHSPBJZEG-ZDUSSCGKSA-N 1 2 260.337 0.860 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C(=O)OCC)C1=O ZINC000337204831 389054804 /nfs/dbraw/zinc/05/48/04/389054804.db2.gz JFWVQRDKQVOMPE-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)OCC)C1=O ZINC000337204831 389054810 /nfs/dbraw/zinc/05/48/10/389054810.db2.gz JFWVQRDKQVOMPE-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCN([C@H](C)CO)CC2)C1=O ZINC000337205448 389055211 /nfs/dbraw/zinc/05/52/11/389055211.db2.gz KOZZZHIEZMJPNF-KGLIPLIRSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCN([C@H](C)CO)CC2)C1=O ZINC000337205448 389055214 /nfs/dbraw/zinc/05/52/14/389055214.db2.gz KOZZZHIEZMJPNF-KGLIPLIRSA-N 1 2 281.400 0.162 20 30 CCEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000337259441 389057785 /nfs/dbraw/zinc/05/77/85/389057785.db2.gz PBINIKIAKIUJNA-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000337259441 389057788 /nfs/dbraw/zinc/05/77/88/389057788.db2.gz PBINIKIAKIUJNA-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO Cc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1C#N ZINC000302657926 389075826 /nfs/dbraw/zinc/07/58/26/389075826.db2.gz OIZOQPVJIPSEGM-CYBMUJFWSA-N 1 2 290.367 0.391 20 30 CCEDLO CC[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C[C@H](C)C#N ZINC000304019008 389081856 /nfs/dbraw/zinc/08/18/56/389081856.db2.gz XMFDHJGDOSNILJ-TUVASFSCSA-N 1 2 283.416 0.938 20 30 CCEDLO CC[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C[C@H](C)C#N ZINC000304019008 389081858 /nfs/dbraw/zinc/08/18/58/389081858.db2.gz XMFDHJGDOSNILJ-TUVASFSCSA-N 1 2 283.416 0.938 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093103216 389035631 /nfs/dbraw/zinc/03/56/31/389035631.db2.gz AWBCABKCSIDCPA-HIFRSBDPSA-N 1 2 289.331 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093103216 389035635 /nfs/dbraw/zinc/03/56/35/389035635.db2.gz AWBCABKCSIDCPA-HIFRSBDPSA-N 1 2 289.331 0.807 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355132631 389044185 /nfs/dbraw/zinc/04/41/85/389044185.db2.gz LYKRIVMCJJCQQH-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO Cc1cc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n(C)n1 ZINC000328901051 389144352 /nfs/dbraw/zinc/14/43/52/389144352.db2.gz YQDPZLHDIHOXCA-OLZOCXBDSA-N 1 2 293.371 0.157 20 30 CCEDLO Cc1cc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n(C)n1 ZINC000328901051 389144355 /nfs/dbraw/zinc/14/43/55/389144355.db2.gz YQDPZLHDIHOXCA-OLZOCXBDSA-N 1 2 293.371 0.157 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338352235 389109212 /nfs/dbraw/zinc/10/92/12/389109212.db2.gz HDKVFNFRABYXDU-NXEZZACHSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338352235 389109214 /nfs/dbraw/zinc/10/92/14/389109214.db2.gz HDKVFNFRABYXDU-NXEZZACHSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@@H]1C[N@@H+](CCn2cnc(C#N)c2C#N)C[C@H](C)O1 ZINC000313803370 389116260 /nfs/dbraw/zinc/11/62/60/389116260.db2.gz QLUCTLTXIXDLDJ-PHIMTYICSA-N 1 2 259.313 0.736 20 30 CCEDLO C[C@@H]1C[N@H+](CCn2cnc(C#N)c2C#N)C[C@H](C)O1 ZINC000313803370 389116264 /nfs/dbraw/zinc/11/62/64/389116264.db2.gz QLUCTLTXIXDLDJ-PHIMTYICSA-N 1 2 259.313 0.736 20 30 CCEDLO N#CCN(CC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000338923488 389118825 /nfs/dbraw/zinc/11/88/25/389118825.db2.gz DGNIEQUYJVSHAU-UHFFFAOYSA-N 1 2 253.265 0.753 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCOCCC#N)C1CC1 ZINC000338995680 389120469 /nfs/dbraw/zinc/12/04/69/389120469.db2.gz FDQZDNKABORBHQ-LLVKDONJSA-N 1 2 274.386 0.814 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCOCCC#N)C1CC1 ZINC000338995680 389120472 /nfs/dbraw/zinc/12/04/72/389120472.db2.gz FDQZDNKABORBHQ-LLVKDONJSA-N 1 2 274.386 0.814 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOCCC#N ZINC000339099885 389125641 /nfs/dbraw/zinc/12/56/41/389125641.db2.gz DRUJVPHTWWAMGY-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOCCC#N ZINC000339099885 389125643 /nfs/dbraw/zinc/12/56/43/389125643.db2.gz DRUJVPHTWWAMGY-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OC ZINC000339172379 389126748 /nfs/dbraw/zinc/12/67/48/389126748.db2.gz YVLSYCZCFSJZHY-GFCCVEGCSA-N 1 2 295.339 0.213 20 30 CCEDLO N#CCCOCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000339192520 389128285 /nfs/dbraw/zinc/12/82/85/389128285.db2.gz REGOGIFOFGWJRJ-STQMWFEESA-N 1 2 254.330 0.796 20 30 CCEDLO N#CCCOCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000339192520 389128286 /nfs/dbraw/zinc/12/82/86/389128286.db2.gz REGOGIFOFGWJRJ-STQMWFEESA-N 1 2 254.330 0.796 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000358381126 389149241 /nfs/dbraw/zinc/14/92/41/389149241.db2.gz HIBPLHURKOLHAO-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000358381126 389149243 /nfs/dbraw/zinc/14/92/43/389149243.db2.gz HIBPLHURKOLHAO-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCSCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339526514 389135145 /nfs/dbraw/zinc/13/51/45/389135145.db2.gz CVHSIVAYLKTWNQ-UHFFFAOYSA-N 1 2 296.396 0.425 20 30 CCEDLO CN(C)[C@H](C(=O)N(C)CC(=O)NC1CC1)c1c[nH+]cn1C ZINC000328747440 389135445 /nfs/dbraw/zinc/13/54/45/389135445.db2.gz AYSCRKIPBKDORQ-ZDUSSCGKSA-N 1 2 293.371 0.600 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000339757817 389138576 /nfs/dbraw/zinc/13/85/76/389138576.db2.gz VUSUPVOZWZLQIV-CYBMUJFWSA-N 1 2 288.347 0.898 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000339757817 389138580 /nfs/dbraw/zinc/13/85/80/389138580.db2.gz VUSUPVOZWZLQIV-CYBMUJFWSA-N 1 2 288.347 0.898 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000339757819 389138613 /nfs/dbraw/zinc/13/86/13/389138613.db2.gz VUSUPVOZWZLQIV-ZDUSSCGKSA-N 1 2 288.347 0.898 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000339757819 389138617 /nfs/dbraw/zinc/13/86/17/389138617.db2.gz VUSUPVOZWZLQIV-ZDUSSCGKSA-N 1 2 288.347 0.898 20 30 CCEDLO C[C@H](C#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000357834723 389138889 /nfs/dbraw/zinc/13/88/89/389138889.db2.gz RZUMWNONDGRTKU-GFCCVEGCSA-N 1 2 264.329 0.221 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CCOCC1 ZINC000328834350 389140333 /nfs/dbraw/zinc/14/03/33/389140333.db2.gz WPOXVOXBQUKWIJ-GFCCVEGCSA-N 1 2 285.388 0.732 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C1CCOCC1 ZINC000328834350 389140335 /nfs/dbraw/zinc/14/03/35/389140335.db2.gz WPOXVOXBQUKWIJ-GFCCVEGCSA-N 1 2 285.388 0.732 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000357946158 389140716 /nfs/dbraw/zinc/14/07/16/389140716.db2.gz OYLBHIKJPJZTRJ-NSHDSACASA-N 1 2 296.371 0.473 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000357946158 389140717 /nfs/dbraw/zinc/14/07/17/389140717.db2.gz OYLBHIKJPJZTRJ-NSHDSACASA-N 1 2 296.371 0.473 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329659613 389183624 /nfs/dbraw/zinc/18/36/24/389183624.db2.gz HVQPROPMLBDHAO-NEPJUHHUSA-N 1 2 291.355 0.470 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329659613 389183628 /nfs/dbraw/zinc/18/36/28/389183628.db2.gz HVQPROPMLBDHAO-NEPJUHHUSA-N 1 2 291.355 0.470 20 30 CCEDLO C=CCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000360133866 389192263 /nfs/dbraw/zinc/19/22/63/389192263.db2.gz UZPMWGAZNLLNCM-UHFFFAOYSA-N 1 2 255.343 0.989 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]1(C)CCO[C@H]1C ZINC000329755729 389196675 /nfs/dbraw/zinc/19/66/75/389196675.db2.gz LTVOFIAIVSWCTI-MBNYWOFBSA-N 1 2 285.388 0.778 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000342157983 389199190 /nfs/dbraw/zinc/19/91/90/389199190.db2.gz HUWANUCQRGCPNE-NEPJUHHUSA-N 1 2 263.341 0.746 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329776225 389199339 /nfs/dbraw/zinc/19/93/39/389199339.db2.gz JVHOXXWBMVTDBH-WDEREUQCSA-N 1 2 280.328 0.852 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329776225 389199342 /nfs/dbraw/zinc/19/93/42/389199342.db2.gz JVHOXXWBMVTDBH-WDEREUQCSA-N 1 2 280.328 0.852 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2c(Cl)cccc2=O)CC1 ZINC000122761081 389153384 /nfs/dbraw/zinc/15/33/84/389153384.db2.gz XSDRAMGMFUIYTM-UHFFFAOYSA-N 1 2 293.754 0.279 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)C#N ZINC000358628664 389156477 /nfs/dbraw/zinc/15/64/77/389156477.db2.gz RXNNMLCKPXDRCG-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NC(=O)NC1CC1 ZINC000329445702 389164049 /nfs/dbraw/zinc/16/40/49/389164049.db2.gz NUYRLTSNFFAVIH-LLVKDONJSA-N 1 2 282.344 0.036 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NC(=O)NC1CC1 ZINC000329445702 389164051 /nfs/dbraw/zinc/16/40/51/389164051.db2.gz NUYRLTSNFFAVIH-LLVKDONJSA-N 1 2 282.344 0.036 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000359417176 389173000 /nfs/dbraw/zinc/17/30/00/389173000.db2.gz OLTNMLXDLMGLNQ-LBPRGKRZSA-N 1 2 251.330 0.635 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000359417176 389173003 /nfs/dbraw/zinc/17/30/03/389173003.db2.gz OLTNMLXDLMGLNQ-LBPRGKRZSA-N 1 2 251.330 0.635 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000329595006 389173516 /nfs/dbraw/zinc/17/35/16/389173516.db2.gz BSDJABHHUZADTI-JTQLQIEISA-N 1 2 275.312 0.365 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000329595006 389173519 /nfs/dbraw/zinc/17/35/19/389173519.db2.gz BSDJABHHUZADTI-JTQLQIEISA-N 1 2 275.312 0.365 20 30 CCEDLO CN1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329601839 389174672 /nfs/dbraw/zinc/17/46/72/389174672.db2.gz KTZJXCFFYXABMV-SCZZXKLOSA-N 1 2 277.328 0.001 20 30 CCEDLO CN1CC[C@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329601839 389174674 /nfs/dbraw/zinc/17/46/74/389174674.db2.gz KTZJXCFFYXABMV-SCZZXKLOSA-N 1 2 277.328 0.001 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329614660 389176498 /nfs/dbraw/zinc/17/64/98/389176498.db2.gz PHXULRSQNHVMER-INTQDDNPSA-N 1 2 295.343 0.368 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329614660 389176501 /nfs/dbraw/zinc/17/65/01/389176501.db2.gz PHXULRSQNHVMER-INTQDDNPSA-N 1 2 295.343 0.368 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@@H]1CCCOC1 ZINC000329628635 389178416 /nfs/dbraw/zinc/17/84/16/389178416.db2.gz UUDGMRQHRYKZQJ-RFQIPJPRSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H]1CCCOC1 ZINC000329628635 389178418 /nfs/dbraw/zinc/17/84/18/389178418.db2.gz UUDGMRQHRYKZQJ-RFQIPJPRSA-N 1 2 297.399 0.730 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1COCCO1 ZINC000330563805 389241563 /nfs/dbraw/zinc/24/15/63/389241563.db2.gz AXZDFNKZWZJKGL-JTQLQIEISA-N 1 2 251.286 0.553 20 30 CCEDLO CCNC(=O)NC(=O)CSCC[NH+]1CCOCC1 ZINC000330642954 389249071 /nfs/dbraw/zinc/24/90/71/389249071.db2.gz CYRGRZRWQLBFNM-UHFFFAOYSA-N 1 2 275.374 0.102 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)OC ZINC000361111297 389208486 /nfs/dbraw/zinc/20/84/86/389208486.db2.gz SEFVZVXFIBEHQU-UTUOFQBUSA-N 1 2 257.330 0.745 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(=O)[nH]1 ZINC000329926359 389211388 /nfs/dbraw/zinc/21/13/88/389211388.db2.gz WDXNBZOLQVFDSU-MRVPVSSYSA-N 1 2 271.342 0.874 20 30 CCEDLO COC(=O)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000361752710 389224286 /nfs/dbraw/zinc/22/42/86/389224286.db2.gz YZPAEZHVGLOQNB-UHFFFAOYSA-N 1 2 272.348 0.829 20 30 CCEDLO CC[C@H](C(=O)N[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330435000 389228966 /nfs/dbraw/zinc/22/89/66/389228966.db2.gz ABVMKZJBIVULCE-IJLUTSLNSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@H](C(=O)N[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330435000 389228968 /nfs/dbraw/zinc/22/89/68/389228968.db2.gz ABVMKZJBIVULCE-IJLUTSLNSA-N 1 2 253.346 0.904 20 30 CCEDLO CCNC(=O)NCC[NH+]1CCN(C(=O)NCC)CC1 ZINC000330485398 389234556 /nfs/dbraw/zinc/23/45/56/389234556.db2.gz BBBNEYBIHIUJDJ-UHFFFAOYSA-N 1 2 271.365 0.061 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc[nH]c(=O)c1 ZINC000330513705 389236726 /nfs/dbraw/zinc/23/67/26/389236726.db2.gz GRNDHVCXJVNPNH-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc[nH]c(=O)c1 ZINC000330513705 389236730 /nfs/dbraw/zinc/23/67/30/389236730.db2.gz GRNDHVCXJVNPNH-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO COC(=O)[C@@H]1CN(C([O-])=[NH+]CCCn2cc[nH+]c2)CCO1 ZINC000330519629 389237791 /nfs/dbraw/zinc/23/77/91/389237791.db2.gz HPJQTQKGTOWZCS-NSHDSACASA-N 1 2 296.327 0.061 20 30 CCEDLO COC(=O)[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000330519629 389237794 /nfs/dbraw/zinc/23/77/94/389237794.db2.gz HPJQTQKGTOWZCS-NSHDSACASA-N 1 2 296.327 0.061 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330530748 389238282 /nfs/dbraw/zinc/23/82/82/389238282.db2.gz RUSHMMFQMYZGCZ-GWCFXTLKSA-N 1 2 281.360 0.198 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330530748 389238284 /nfs/dbraw/zinc/23/82/84/389238284.db2.gz RUSHMMFQMYZGCZ-GWCFXTLKSA-N 1 2 281.360 0.198 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000157662551 389332505 /nfs/dbraw/zinc/33/25/05/389332505.db2.gz REGXOZTZORDHNW-RYUDHWBXSA-N 1 2 294.399 0.580 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000157662551 389332510 /nfs/dbraw/zinc/33/25/10/389332510.db2.gz REGXOZTZORDHNW-RYUDHWBXSA-N 1 2 294.399 0.580 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000332085361 389334197 /nfs/dbraw/zinc/33/41/97/389334197.db2.gz FNDPFLZLUBALAO-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000408400990 389346255 /nfs/dbraw/zinc/34/62/55/389346255.db2.gz ZLHPLKPBDXKOBR-RYUDHWBXSA-N 1 2 265.357 0.858 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000408400990 389346258 /nfs/dbraw/zinc/34/62/58/389346258.db2.gz ZLHPLKPBDXKOBR-RYUDHWBXSA-N 1 2 265.357 0.858 20 30 CCEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n1 ZINC000348095411 389365223 /nfs/dbraw/zinc/36/52/23/389365223.db2.gz LOFXASGJORSVDS-DTWKUNHWSA-N 1 2 265.317 0.789 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000269651418 389425498 /nfs/dbraw/zinc/42/54/98/389425498.db2.gz ZQGGGHALKBNHPN-CQSZACIVSA-N 1 2 272.308 0.922 20 30 CCEDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1CCC#N ZINC000271101604 389438907 /nfs/dbraw/zinc/43/89/07/389438907.db2.gz YEHKJDJIQRMJIS-NSHDSACASA-N 1 2 277.328 0.374 20 30 CCEDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1CCC#N ZINC000271101604 389438915 /nfs/dbraw/zinc/43/89/15/389438915.db2.gz YEHKJDJIQRMJIS-NSHDSACASA-N 1 2 277.328 0.374 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371833701 389439926 /nfs/dbraw/zinc/43/99/26/389439926.db2.gz COVHCPYMIIEZFA-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371833701 389439928 /nfs/dbraw/zinc/43/99/28/389439928.db2.gz COVHCPYMIIEZFA-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000276787814 389541051 /nfs/dbraw/zinc/54/10/51/389541051.db2.gz RVOMBQQYXNWHKN-LLVKDONJSA-N 1 2 260.341 0.949 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000276787814 389541052 /nfs/dbraw/zinc/54/10/52/389541052.db2.gz RVOMBQQYXNWHKN-LLVKDONJSA-N 1 2 260.341 0.949 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(CC)C(=O)C2)C1=O ZINC000281464749 389617709 /nfs/dbraw/zinc/61/77/09/389617709.db2.gz VNNABYDBUBRXGE-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCN(CC)C(=O)C2)C1=O ZINC000281464749 389617711 /nfs/dbraw/zinc/61/77/11/389617711.db2.gz VNNABYDBUBRXGE-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000177595477 389587012 /nfs/dbraw/zinc/58/70/12/389587012.db2.gz PTMBIOUWUJSRDT-UHFFFAOYSA-N 1 2 298.387 0.032 20 30 CCEDLO CCC[C@]1(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414128930 389602214 /nfs/dbraw/zinc/60/22/14/389602214.db2.gz HWIFGGJRVVEGDF-FZMZJTMJSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC[C@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414128930 389602218 /nfs/dbraw/zinc/60/22/18/389602218.db2.gz HWIFGGJRVVEGDF-FZMZJTMJSA-N 1 2 296.371 0.303 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCCS(=O)(=O)N(C)C ZINC000428874199 389725042 /nfs/dbraw/zinc/72/50/42/389725042.db2.gz MAXKZMANQAHVRL-UHFFFAOYSA-N 1 2 259.375 0.670 20 30 CCEDLO C=CC[N@H+](CCC#N)CCCS(=O)(=O)N(C)C ZINC000428874199 389725044 /nfs/dbraw/zinc/72/50/44/389725044.db2.gz MAXKZMANQAHVRL-UHFFFAOYSA-N 1 2 259.375 0.670 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000375850243 389720013 /nfs/dbraw/zinc/72/00/13/389720013.db2.gz RMLVQRPEKPGEFN-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000375850243 389720014 /nfs/dbraw/zinc/72/00/14/389720014.db2.gz RMLVQRPEKPGEFN-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428801354 389720555 /nfs/dbraw/zinc/72/05/55/389720555.db2.gz BJXAUAHNAHMPIR-LBPRGKRZSA-N 1 2 285.307 0.046 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428801354 389720557 /nfs/dbraw/zinc/72/05/57/389720557.db2.gz BJXAUAHNAHMPIR-LBPRGKRZSA-N 1 2 285.307 0.046 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425557900 389652079 /nfs/dbraw/zinc/65/20/79/389652079.db2.gz CGWXQHWLWBGIRY-WDEREUQCSA-N 1 2 261.329 0.954 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCC(O)(C(=O)OCC)CC2)C1=O ZINC000282134131 389658310 /nfs/dbraw/zinc/65/83/10/389658310.db2.gz YYDLOYZXJBNVEP-GFCCVEGCSA-N 1 2 296.367 0.163 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181306974 389684298 /nfs/dbraw/zinc/68/42/98/389684298.db2.gz WAGUVJPXWFLENZ-IUCAKERBSA-N 1 2 281.278 0.602 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181306974 389684302 /nfs/dbraw/zinc/68/43/02/389684302.db2.gz WAGUVJPXWFLENZ-IUCAKERBSA-N 1 2 281.278 0.602 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C#N)o2)CC1 ZINC000429822742 389771721 /nfs/dbraw/zinc/77/17/21/389771721.db2.gz CEYDFBPRMMHRHP-UHFFFAOYSA-N 1 2 290.323 0.045 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073382 389746616 /nfs/dbraw/zinc/74/66/16/389746616.db2.gz GLODSJPDLDJUMB-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073382 389746618 /nfs/dbraw/zinc/74/66/18/389746618.db2.gz GLODSJPDLDJUMB-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1cccc2c1CN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC000405060267 389812634 /nfs/dbraw/zinc/81/26/34/389812634.db2.gz QLGAOGOLZFFWBD-OAHLLOKOSA-N 1 2 287.363 0.567 20 30 CCEDLO C=C[C@@H](CO)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000352453074 389813114 /nfs/dbraw/zinc/81/31/14/389813114.db2.gz KFLGXMHEHAYALB-LBPRGKRZSA-N 1 2 259.313 0.358 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C1 ZINC000352597947 389832823 /nfs/dbraw/zinc/83/28/23/389832823.db2.gz UIHXAUZYQBTQNT-VXGBXAGGSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C1 ZINC000352597947 389832826 /nfs/dbraw/zinc/83/28/26/389832826.db2.gz UIHXAUZYQBTQNT-VXGBXAGGSA-N 1 2 288.417 0.349 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352661019 389834301 /nfs/dbraw/zinc/83/43/01/389834301.db2.gz QHHPMSGNDIMDPD-XUJVJEKNSA-N 1 2 294.399 0.592 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352661019 389834303 /nfs/dbraw/zinc/83/43/03/389834303.db2.gz QHHPMSGNDIMDPD-XUJVJEKNSA-N 1 2 294.399 0.592 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000408213467 389835652 /nfs/dbraw/zinc/83/56/52/389835652.db2.gz HHOFWFHYOSUTDW-WCQYABFASA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000408213467 389835654 /nfs/dbraw/zinc/83/56/54/389835654.db2.gz HHOFWFHYOSUTDW-WCQYABFASA-N 1 2 263.341 0.660 20 30 CCEDLO Cc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2C)c1C#N ZINC000441835346 389842984 /nfs/dbraw/zinc/84/29/84/389842984.db2.gz VKFFFWUFFNKQCP-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO CC(C)[N@H+](CC(=O)NCC#N)CC(=O)N1CCCCCC1 ZINC000353226080 389848171 /nfs/dbraw/zinc/84/81/71/389848171.db2.gz FIEPJLUAAKEVJV-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC(C)[N@@H+](CC(=O)NCC#N)CC(=O)N1CCCCCC1 ZINC000353226080 389848173 /nfs/dbraw/zinc/84/81/73/389848173.db2.gz FIEPJLUAAKEVJV-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO N#Cc1cccc(C#N)c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000436387367 389975308 /nfs/dbraw/zinc/97/53/08/389975308.db2.gz KQCQQEHFOMJXSD-UHFFFAOYSA-N 1 2 283.335 0.664 20 30 CCEDLO N#Cc1cccc(C#N)c1NCCC[N@H+]1CCNC(=O)C1 ZINC000436387367 389975310 /nfs/dbraw/zinc/97/53/10/389975310.db2.gz KQCQQEHFOMJXSD-UHFFFAOYSA-N 1 2 283.335 0.664 20 30 CCEDLO C=CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000447947080 389974281 /nfs/dbraw/zinc/97/42/81/389974281.db2.gz AKAHGOJJIUNTQT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000447947080 389974283 /nfs/dbraw/zinc/97/42/83/389974283.db2.gz AKAHGOJJIUNTQT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950902 390040278 /nfs/dbraw/zinc/04/02/78/390040278.db2.gz XPGXJWCCPDSBSK-NEPJUHHUSA-N 1 2 283.372 0.219 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950902 390040279 /nfs/dbraw/zinc/04/02/79/390040279.db2.gz XPGXJWCCPDSBSK-NEPJUHHUSA-N 1 2 283.372 0.219 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)ccc1C#N ZINC000488134875 390091828 /nfs/dbraw/zinc/09/18/28/390091828.db2.gz OIKPPILJCCKRQO-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)ccc1C#N ZINC000488134875 390091829 /nfs/dbraw/zinc/09/18/29/390091829.db2.gz OIKPPILJCCKRQO-CYBMUJFWSA-N 1 2 284.319 0.603 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCS(C)(=O)=O ZINC000490876319 390108336 /nfs/dbraw/zinc/10/83/36/390108336.db2.gz TZYXLSBJGWXLCC-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCCS(C)(=O)=O ZINC000490876319 390108337 /nfs/dbraw/zinc/10/83/37/390108337.db2.gz TZYXLSBJGWXLCC-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO CN1CCC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000539803152 390210487 /nfs/dbraw/zinc/21/04/87/390210487.db2.gz NLHDYOCABCIMAS-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO C[N@@H+]1CCN(C(=O)CC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495514666 390242192 /nfs/dbraw/zinc/24/21/92/390242192.db2.gz SMPOUWGDMMTNFM-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO C[N@H+]1CCN(C(=O)CC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495514666 390242196 /nfs/dbraw/zinc/24/21/96/390242196.db2.gz SMPOUWGDMMTNFM-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO C=CC[C@H](CO)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000541904092 390253576 /nfs/dbraw/zinc/25/35/76/390253576.db2.gz TVGAUOODTONVTD-LLVKDONJSA-N 1 2 288.351 0.227 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC000648866727 390428782 /nfs/dbraw/zinc/42/87/82/390428782.db2.gz KNVPNSWFRFMCKX-SNVBAGLBSA-N 1 2 272.312 0.405 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000645264576 390399478 /nfs/dbraw/zinc/39/94/78/390399478.db2.gz FZEBIWNQFUAMCD-MELADBBJSA-N 1 2 297.399 0.169 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(C)C ZINC000519420295 390500416 /nfs/dbraw/zinc/50/04/16/390500416.db2.gz BAQXIAHJWUKLAS-JTQLQIEISA-N 1 2 254.334 0.750 20 30 CCEDLO Cc1cc(C#N)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000555581214 390459403 /nfs/dbraw/zinc/45/94/03/390459403.db2.gz QBWQOUWHTCCJIC-CQSZACIVSA-N 1 2 276.336 0.939 20 30 CCEDLO N#CC1(F)CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000505765573 390463351 /nfs/dbraw/zinc/46/33/51/390463351.db2.gz GQWNVRDZPSLUGE-UHFFFAOYSA-N 1 2 284.335 0.356 20 30 CCEDLO C[C@@H](C#N)CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000514957577 390471967 /nfs/dbraw/zinc/47/19/67/390471967.db2.gz ITSXSXNBXSPCSI-LBPRGKRZSA-N 1 2 288.351 0.803 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000649188548 390516324 /nfs/dbraw/zinc/51/63/24/390516324.db2.gz MPUWXYFJCNHOFZ-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000515835779 390478216 /nfs/dbraw/zinc/47/82/16/390478216.db2.gz BDYLPHYESKLHCR-KBPBESRZSA-N 1 2 297.399 0.551 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000570393424 390718627 /nfs/dbraw/zinc/71/86/27/390718627.db2.gz HNFBDQHDXLHVHC-GXTWGEPZSA-N 1 2 297.424 0.955 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000570393424 390718630 /nfs/dbraw/zinc/71/86/30/390718630.db2.gz HNFBDQHDXLHVHC-GXTWGEPZSA-N 1 2 297.424 0.955 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CC(O)(CC#N)C3)[nH+]c12 ZINC000527009745 390688795 /nfs/dbraw/zinc/68/87/95/390688795.db2.gz UXTVXTBTBNBBEY-UHFFFAOYSA-N 1 2 284.319 0.672 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@@H]2CSCC[NH2+]2)[nH]c1C#N ZINC000571797299 390753779 /nfs/dbraw/zinc/75/37/79/390753779.db2.gz SRDJKJPQVQCARX-SSDOTTSWSA-N 1 2 276.325 0.187 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000528456526 390745927 /nfs/dbraw/zinc/74/59/27/390745927.db2.gz NDHVCTHZBBPUPU-OLZOCXBDSA-N 1 2 278.352 0.721 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000528456526 390745929 /nfs/dbraw/zinc/74/59/29/390745929.db2.gz NDHVCTHZBBPUPU-OLZOCXBDSA-N 1 2 278.352 0.721 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC[S@@]1=O ZINC000575046835 390831936 /nfs/dbraw/zinc/83/19/36/390831936.db2.gz JHTPPHHSSMYTNR-HZNYWTHISA-N 1 2 293.396 0.249 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC[S@@]1=O ZINC000575046835 390831941 /nfs/dbraw/zinc/83/19/41/390831941.db2.gz JHTPPHHSSMYTNR-HZNYWTHISA-N 1 2 293.396 0.249 20 30 CCEDLO C=C1CC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000532562624 390880843 /nfs/dbraw/zinc/88/08/43/390880843.db2.gz UOAOXIZVIYJNBM-UHFFFAOYSA-N 1 2 292.339 0.386 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000269476713 132176499 /nfs/dbraw/zinc/17/64/99/132176499.db2.gz DHDPSGNRCVEKEO-UHFFFAOYSA-N 1 2 289.295 0.074 20 30 CCEDLO N#CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132386337 397414029 /nfs/dbraw/zinc/41/40/29/397414029.db2.gz FABICHDSDBJTNE-HNNXBMFYSA-N 1 2 298.346 0.763 20 30 CCEDLO N#CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132386337 397414034 /nfs/dbraw/zinc/41/40/34/397414034.db2.gz FABICHDSDBJTNE-HNNXBMFYSA-N 1 2 298.346 0.763 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537645 397630504 /nfs/dbraw/zinc/63/05/04/397630504.db2.gz FKKOZRUJWVGZOK-ZJUUUORDSA-N 1 2 253.302 0.892 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537645 397630507 /nfs/dbraw/zinc/63/05/07/397630507.db2.gz FKKOZRUJWVGZOK-ZJUUUORDSA-N 1 2 253.302 0.892 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000685703483 545849928 /nfs/dbraw/zinc/84/99/28/545849928.db2.gz DCXMGYXKGWWNIL-CQSZACIVSA-N 1 2 262.309 0.998 20 30 CCEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(C)c1C#N)C1CC1 ZINC000552943505 286176265 /nfs/dbraw/zinc/17/62/65/286176265.db2.gz HANBACKBZJFLPI-GFCCVEGCSA-N 1 2 284.323 0.906 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1=O ZINC000337207852 262439439 /nfs/dbraw/zinc/43/94/39/262439439.db2.gz PKIDJXUCMQDITP-WCBMZHEXSA-N 1 2 250.302 0.816 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCCN(C(C)=O)CC2)nn1 ZINC000653476190 412304440 /nfs/dbraw/zinc/30/44/40/412304440.db2.gz ZBGSGOLIFSRXDC-UHFFFAOYSA-N 1 2 277.372 0.908 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCCN(C(C)=O)CC2)nn1 ZINC000653476190 412304445 /nfs/dbraw/zinc/30/44/45/412304445.db2.gz ZBGSGOLIFSRXDC-UHFFFAOYSA-N 1 2 277.372 0.908 20 30 CCEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660881138 414520562 /nfs/dbraw/zinc/52/05/62/414520562.db2.gz GVHLYSOAAHRUJW-NWDGAFQWSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CC[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H](C)COC ZINC000661241191 414584248 /nfs/dbraw/zinc/58/42/48/414584248.db2.gz XUWKYKWZANZDGH-JTQLQIEISA-N 1 2 288.369 0.950 20 30 CCEDLO C=CC[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H](C)COC ZINC000661241191 414584252 /nfs/dbraw/zinc/58/42/52/414584252.db2.gz XUWKYKWZANZDGH-JTQLQIEISA-N 1 2 288.369 0.950 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661278552 414590144 /nfs/dbraw/zinc/59/01/44/414590144.db2.gz DETMTRBCAAZCEJ-OPRDCNLKSA-N 1 2 250.302 0.735 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329244610 227377730 /nfs/dbraw/zinc/37/77/30/227377730.db2.gz PZXFEAZOUMVSAM-DTWKUNHWSA-N 1 2 298.368 0.712 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329244610 227377737 /nfs/dbraw/zinc/37/77/37/227377737.db2.gz PZXFEAZOUMVSAM-DTWKUNHWSA-N 1 2 298.368 0.712 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484134 226996987 /nfs/dbraw/zinc/99/69/87/226996987.db2.gz LXNXOQGFBGDUOX-LLVKDONJSA-N 1 2 271.336 0.855 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncccc1O ZINC000575217981 335082916 /nfs/dbraw/zinc/08/29/16/335082916.db2.gz LMFLCSFPWHOEDG-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NCC1CC1 ZINC000329054567 227274866 /nfs/dbraw/zinc/27/48/66/227274866.db2.gz SCVMNYQTZNIZML-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NCC1CC1 ZINC000329054567 227274871 /nfs/dbraw/zinc/27/48/71/227274871.db2.gz SCVMNYQTZNIZML-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329911841 227982837 /nfs/dbraw/zinc/98/28/37/227982837.db2.gz AVFFSBKEBOFKID-IMRBUKKESA-N 1 2 290.367 0.910 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)[C@@]1(O)CCSC1 ZINC000328938291 545020055 /nfs/dbraw/zinc/02/00/55/545020055.db2.gz DIGAMMGEKZPPIZ-LLVKDONJSA-N 1 2 260.359 0.143 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000329326547 545021790 /nfs/dbraw/zinc/02/17/90/545021790.db2.gz WTPIJGXFJPKKSM-JTQLQIEISA-N 1 2 264.333 0.018 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+][C@H]1CC[N@H+](C2CC2)C1 ZINC000329326547 545021793 /nfs/dbraw/zinc/02/17/93/545021793.db2.gz WTPIJGXFJPKKSM-JTQLQIEISA-N 1 2 264.333 0.018 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000407954458 260033484 /nfs/dbraw/zinc/03/34/84/260033484.db2.gz OAQCAXNFSOFJEU-LBPRGKRZSA-N 1 2 288.417 0.350 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC)CC1 ZINC000363435597 260259336 /nfs/dbraw/zinc/25/93/36/260259336.db2.gz VKQSHJAHPVWMBZ-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000363435597 260259337 /nfs/dbraw/zinc/25/93/37/260259337.db2.gz VKQSHJAHPVWMBZ-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(F)c1 ZINC000078640019 260301478 /nfs/dbraw/zinc/30/14/78/260301478.db2.gz FNABFRFDNZUUHW-UHFFFAOYSA-N 1 2 267.304 0.947 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc(F)cc1F ZINC000136064965 260923358 /nfs/dbraw/zinc/92/33/58/260923358.db2.gz ZAHJIMLPZAPHOZ-UHFFFAOYSA-N 1 2 273.239 0.575 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)OC[C@@H]2CC)CC1 ZINC000490762038 261203446 /nfs/dbraw/zinc/20/34/46/261203446.db2.gz ZOUSLOWWTSMVCR-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)OC[C@@H]2CC)CC1 ZINC000490762038 261203447 /nfs/dbraw/zinc/20/34/47/261203447.db2.gz ZOUSLOWWTSMVCR-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000490876575 261234828 /nfs/dbraw/zinc/23/48/28/261234828.db2.gz UWEVPGXAGZKTSY-QWHCGFSZSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000490876575 261234830 /nfs/dbraw/zinc/23/48/30/261234830.db2.gz UWEVPGXAGZKTSY-QWHCGFSZSA-N 1 2 299.392 0.452 20 30 CCEDLO CC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496836459 262356884 /nfs/dbraw/zinc/35/68/84/262356884.db2.gz QCFFDYBEXABVRY-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO CC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496836459 262356885 /nfs/dbraw/zinc/35/68/85/262356885.db2.gz QCFFDYBEXABVRY-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000281146573 263066758 /nfs/dbraw/zinc/06/67/58/263066758.db2.gz BANNBJCPRSPHKI-CQSZACIVSA-N 1 2 275.352 0.473 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000281146573 263066759 /nfs/dbraw/zinc/06/67/59/263066759.db2.gz BANNBJCPRSPHKI-CQSZACIVSA-N 1 2 275.352 0.473 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340191142 263086717 /nfs/dbraw/zinc/08/67/17/263086717.db2.gz IBOBQRHPSWARKS-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340191142 263086718 /nfs/dbraw/zinc/08/67/18/263086718.db2.gz IBOBQRHPSWARKS-WCBMZHEXSA-N 1 2 279.262 0.404 20 30 CCEDLO CN(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000289417037 263110128 /nfs/dbraw/zinc/11/01/28/263110128.db2.gz QCFYMDKDLNWSDJ-UHFFFAOYSA-N 1 2 263.297 0.347 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)C)ccc1F ZINC000289499611 263110574 /nfs/dbraw/zinc/11/05/74/263110574.db2.gz ZYGGBWZORSLSGW-UHFFFAOYSA-N 1 2 253.277 0.859 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289604620 263111005 /nfs/dbraw/zinc/11/10/05/263111005.db2.gz QMKMQGNIVVZYEJ-SNVBAGLBSA-N 1 2 283.357 0.177 20 30 CCEDLO Cn1nnnc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780109 269937346 /nfs/dbraw/zinc/93/73/46/269937346.db2.gz AVKWSZZWURYPDN-UHFFFAOYSA-N 1 2 298.350 0.877 20 30 CCEDLO Cc1cccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000330441852 263952612 /nfs/dbraw/zinc/95/26/12/263952612.db2.gz FBASSXZZTDLMRY-AWEZNQCLSA-N 1 2 278.352 0.993 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000330532922 263969611 /nfs/dbraw/zinc/96/96/11/263969611.db2.gz OBFDNMRRSQTGAL-JTQLQIEISA-N 1 2 298.387 0.416 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000330532922 263969612 /nfs/dbraw/zinc/96/96/12/263969612.db2.gz OBFDNMRRSQTGAL-JTQLQIEISA-N 1 2 298.387 0.416 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960643441 649856715 /nfs/dbraw/zinc/85/67/15/649856715.db2.gz KTPVJRXUAGBHLE-NMKXLXIOSA-N 1 2 285.351 0.015 20 30 CCEDLO Cc1cc(NC(=O)N(C)CCNC(=O)N(C)C)cc[nH+]1 ZINC000330709318 264020555 /nfs/dbraw/zinc/02/05/55/264020555.db2.gz WFDRZNUXSSCZID-UHFFFAOYSA-N 1 2 279.344 0.751 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)N(C)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000330739198 264038269 /nfs/dbraw/zinc/03/82/69/264038269.db2.gz OECIGTMZEPDDOL-JTQLQIEISA-N 1 2 288.373 0.162 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000330739198 264038270 /nfs/dbraw/zinc/03/82/70/264038270.db2.gz OECIGTMZEPDDOL-JTQLQIEISA-N 1 2 288.373 0.162 20 30 CCEDLO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)C(=O)N(C)C ZINC000330782042 264052553 /nfs/dbraw/zinc/05/25/53/264052553.db2.gz PAXQWTTUIBPUHT-LLVKDONJSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000330785985 264053346 /nfs/dbraw/zinc/05/33/46/264053346.db2.gz MMWLIEGIEVBODZ-QWHCGFSZSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000330785985 264053348 /nfs/dbraw/zinc/05/33/48/264053348.db2.gz MMWLIEGIEVBODZ-QWHCGFSZSA-N 1 2 278.356 0.752 20 30 CCEDLO C[S@@](=O)CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330864580 264057341 /nfs/dbraw/zinc/05/73/41/264057341.db2.gz YGXAYYBFQDXEIS-HXUWFJFHSA-N 1 2 298.412 0.992 20 30 CCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CSCC#N ZINC000330943686 264084034 /nfs/dbraw/zinc/08/40/34/264084034.db2.gz DTQYPRMICZTXDP-UHFFFAOYSA-N 1 2 285.413 0.812 20 30 CCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CSCC#N ZINC000330943686 264084037 /nfs/dbraw/zinc/08/40/37/264084037.db2.gz DTQYPRMICZTXDP-UHFFFAOYSA-N 1 2 285.413 0.812 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000330949391 264085821 /nfs/dbraw/zinc/08/58/21/264085821.db2.gz NKOPFFHFCNNDRU-SNVBAGLBSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000330949391 264085823 /nfs/dbraw/zinc/08/58/23/264085823.db2.gz NKOPFFHFCNNDRU-SNVBAGLBSA-N 1 2 294.330 0.972 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330958306 264088165 /nfs/dbraw/zinc/08/81/65/264088165.db2.gz WOIZTIVXLGQXHS-VXGBXAGGSA-N 1 2 295.387 0.202 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330958306 264088167 /nfs/dbraw/zinc/08/81/67/264088167.db2.gz WOIZTIVXLGQXHS-VXGBXAGGSA-N 1 2 295.387 0.202 20 30 CCEDLO C[C@H](CNC(=O)CC(C)(C)C#N)[NH+]1CCN(C)CC1 ZINC000330989387 264104343 /nfs/dbraw/zinc/10/43/43/264104343.db2.gz ZQFOPCFDTNTFPJ-GFCCVEGCSA-N 1 2 266.389 0.678 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000330995039 264105160 /nfs/dbraw/zinc/10/51/60/264105160.db2.gz OEACIEQBXBPICD-STQMWFEESA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000330995039 264105161 /nfs/dbraw/zinc/10/51/61/264105161.db2.gz OEACIEQBXBPICD-STQMWFEESA-N 1 2 277.299 0.837 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000331276883 264170469 /nfs/dbraw/zinc/17/04/69/264170469.db2.gz YGVLESPORPBMFF-DCAQKATOSA-N 1 2 287.360 0.161 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000331276883 264170470 /nfs/dbraw/zinc/17/04/70/264170470.db2.gz YGVLESPORPBMFF-DCAQKATOSA-N 1 2 287.360 0.161 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000331362042 264210218 /nfs/dbraw/zinc/21/02/18/264210218.db2.gz ZTYYBXAHBQXRCT-GFCCVEGCSA-N 1 2 294.355 0.449 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000331362042 264210219 /nfs/dbraw/zinc/21/02/19/264210219.db2.gz ZTYYBXAHBQXRCT-GFCCVEGCSA-N 1 2 294.355 0.449 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccon1 ZINC000353771787 264260782 /nfs/dbraw/zinc/26/07/82/264260782.db2.gz JMILZSNJISUNDI-UHFFFAOYSA-N 1 2 292.339 0.292 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccccc1 ZINC000080552148 264397561 /nfs/dbraw/zinc/39/75/61/264397561.db2.gz CNPMBFGKTKRPSY-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000190433653 264412384 /nfs/dbraw/zinc/41/23/84/264412384.db2.gz UOWIGPYQRNSBIF-UHFFFAOYSA-N 1 2 269.304 0.732 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000357114502 266250582 /nfs/dbraw/zinc/25/05/82/266250582.db2.gz FMWKTIUEAPMQOY-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362594106 267015992 /nfs/dbraw/zinc/01/59/92/267015992.db2.gz RCTLXHLBVIKXEE-JTQLQIEISA-N 1 2 255.362 0.524 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362594106 267015990 /nfs/dbraw/zinc/01/59/90/267015990.db2.gz RCTLXHLBVIKXEE-JTQLQIEISA-N 1 2 255.362 0.524 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185907777 280101005 /nfs/dbraw/zinc/10/10/05/280101005.db2.gz ZVIJXDYSQSDZJJ-CABCVRRESA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185907777 280101007 /nfs/dbraw/zinc/10/10/07/280101007.db2.gz ZVIJXDYSQSDZJJ-CABCVRRESA-N 1 2 294.399 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCC3)C[C@H]21 ZINC000329978984 290089102 /nfs/dbraw/zinc/08/91/02/290089102.db2.gz IQXJYUQGAOURBQ-VXGBXAGGSA-N 1 2 263.341 0.612 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCC3)C[C@H]21 ZINC000329978984 290089104 /nfs/dbraw/zinc/08/91/04/290089104.db2.gz IQXJYUQGAOURBQ-VXGBXAGGSA-N 1 2 263.341 0.612 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362222645 295003235 /nfs/dbraw/zinc/00/32/35/295003235.db2.gz ZQPLCAVZIWUBBJ-NSHDSACASA-N 1 2 259.313 0.259 20 30 CCEDLO C=CCNC(=O)CNc1nc(C)[nH+]c(C)c1Br ZINC000393835034 545087703 /nfs/dbraw/zinc/08/77/03/545087703.db2.gz KDYCKGLOPQHLPR-UHFFFAOYSA-N 1 2 299.172 0.992 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000273135266 298628424 /nfs/dbraw/zinc/62/84/24/298628424.db2.gz VRRMLSLMMWEIOS-SECBINFHSA-N 1 2 288.311 0.060 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161073868 328125442 /nfs/dbraw/zinc/12/54/42/328125442.db2.gz MVRLJHUKAOPFAJ-UHFFFAOYSA-N 1 2 279.344 0.254 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161073868 328125444 /nfs/dbraw/zinc/12/54/44/328125444.db2.gz MVRLJHUKAOPFAJ-UHFFFAOYSA-N 1 2 279.344 0.254 20 30 CCEDLO Cc1ncsc1CCO[NH+]=C(N)CN1CCOCC1 ZINC000267103198 328172525 /nfs/dbraw/zinc/17/25/25/328172525.db2.gz PIUXQUONNQEJRM-UHFFFAOYSA-N 1 2 284.385 0.615 20 30 CCEDLO CNc1cc(N2CCC[C@H]2CNC(=O)CC#N)nc[nH+]1 ZINC000274681481 328212999 /nfs/dbraw/zinc/21/29/99/328212999.db2.gz JVVJJMDEIMGXTG-JTQLQIEISA-N 1 2 274.328 0.517 20 30 CCEDLO CNc1cc(N2CCC[C@H]2CNC(=O)CC#N)[nH+]cn1 ZINC000274681481 328213000 /nfs/dbraw/zinc/21/30/00/328213000.db2.gz JVVJJMDEIMGXTG-JTQLQIEISA-N 1 2 274.328 0.517 20 30 CCEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000275537858 328215468 /nfs/dbraw/zinc/21/54/68/328215468.db2.gz RPCHGKZOEIVJIX-UHFFFAOYSA-N 1 2 279.296 0.499 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CCOCC2)C1=O ZINC000531950134 328327539 /nfs/dbraw/zinc/32/75/39/328327539.db2.gz XCALGZGFVVLKCP-ZDUSSCGKSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CCOCC2)C1=O ZINC000531950134 328327541 /nfs/dbraw/zinc/32/75/41/328327541.db2.gz XCALGZGFVVLKCP-ZDUSSCGKSA-N 1 2 295.383 0.000 20 30 CCEDLO CN(CCO)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330593236 328464512 /nfs/dbraw/zinc/46/45/12/328464512.db2.gz SDSUZKDENHAKQU-UHFFFAOYSA-N 1 2 294.355 0.256 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOC1CCOCC1 ZINC000558903127 327130826 /nfs/dbraw/zinc/13/08/26/327130826.db2.gz XWJHUJDVEDTNTL-CQSZACIVSA-N 1 2 283.372 0.532 20 30 CCEDLO Cc1nc(CO[NH+]=C(N)CN2CCOCC2)cs1 ZINC000111181865 327277248 /nfs/dbraw/zinc/27/72/48/327277248.db2.gz VOGAOLSDBMBPNL-UHFFFAOYSA-N 1 2 270.358 0.573 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000528639423 327483909 /nfs/dbraw/zinc/48/39/09/327483909.db2.gz CWFQGUMEIDVOMA-FQEVSTJZSA-N 1 2 299.440 0.839 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000174925058 329161818 /nfs/dbraw/zinc/16/18/18/329161818.db2.gz LEGKWOQBPVVFSY-AWEZNQCLSA-N 1 2 295.387 0.174 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000183543041 329248407 /nfs/dbraw/zinc/24/84/07/329248407.db2.gz LFIODDGQBLMBQJ-UPJWGTAASA-N 1 2 285.388 0.332 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000185915605 329332653 /nfs/dbraw/zinc/33/26/53/329332653.db2.gz LLAIDYFFHVOTPR-STQMWFEESA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCC1 ZINC000189649086 329385166 /nfs/dbraw/zinc/38/51/66/329385166.db2.gz FLUCHDMQIVADHS-ZDUSSCGKSA-N 1 2 263.385 0.849 20 30 CCEDLO C=CCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000193809895 329683752 /nfs/dbraw/zinc/68/37/52/329683752.db2.gz VHYZXHOXWSAEHF-UHFFFAOYSA-N 1 2 297.399 0.742 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000451695676 331039337 /nfs/dbraw/zinc/03/93/37/331039337.db2.gz QSZWLEUVEQQMBS-YJNKXOJESA-N 1 2 294.395 0.899 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478925018 331717366 /nfs/dbraw/zinc/71/73/66/331717366.db2.gz BWLLQHPPKAUZMY-CQSZACIVSA-N 1 2 298.383 0.139 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000488575505 332018512 /nfs/dbraw/zinc/01/85/12/332018512.db2.gz AXFCPDHAHLSEGZ-UHFFFAOYSA-N 1 2 263.341 0.736 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000490711980 332106946 /nfs/dbraw/zinc/10/69/46/332106946.db2.gz BXLULWIBDYHALY-QWHCGFSZSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000490711980 332106948 /nfs/dbraw/zinc/10/69/48/332106948.db2.gz BXLULWIBDYHALY-QWHCGFSZSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CC[N@@H+](Cc1nc(CC(=O)NC)no1)C1CCCC1 ZINC000490831514 332118725 /nfs/dbraw/zinc/11/87/25/332118725.db2.gz UYKLCQZFOLWXKV-UHFFFAOYSA-N 1 2 276.340 0.736 20 30 CCEDLO C#CC[N@H+](Cc1nc(CC(=O)NC)no1)C1CCCC1 ZINC000490831514 332118727 /nfs/dbraw/zinc/11/87/27/332118727.db2.gz UYKLCQZFOLWXKV-UHFFFAOYSA-N 1 2 276.340 0.736 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@@H]2CCCO2)CC1 ZINC000491070752 332146077 /nfs/dbraw/zinc/14/60/77/332146077.db2.gz FEBJSNQNYMRDGC-ZDUSSCGKSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000491420995 332208705 /nfs/dbraw/zinc/20/87/05/332208705.db2.gz ZCRMZHQBXOUFKR-DOMZBBRYSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000491420995 332208706 /nfs/dbraw/zinc/20/87/06/332208706.db2.gz ZCRMZHQBXOUFKR-DOMZBBRYSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491634301 332255739 /nfs/dbraw/zinc/25/57/39/332255739.db2.gz RBTKLCWRZOTDCT-UHFFFAOYSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491634301 332255740 /nfs/dbraw/zinc/25/57/40/332255740.db2.gz RBTKLCWRZOTDCT-UHFFFAOYSA-N 1 2 253.346 0.372 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491638119 332258616 /nfs/dbraw/zinc/25/86/16/332258616.db2.gz XZIVTXYDLXJOGG-LBPRGKRZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCO[C@H](C)C#N)n1 ZINC000491639992 332260081 /nfs/dbraw/zinc/26/00/81/332260081.db2.gz XKIRDCYGGTUBIG-CQSZACIVSA-N 1 2 290.367 0.893 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCO[C@H](C)C#N)n1 ZINC000491639992 332260082 /nfs/dbraw/zinc/26/00/82/332260082.db2.gz XKIRDCYGGTUBIG-CQSZACIVSA-N 1 2 290.367 0.893 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000491658650 332269743 /nfs/dbraw/zinc/26/97/43/332269743.db2.gz AXYCHBIIYDLVMG-AAEUAGOBSA-N 1 2 288.351 0.249 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000491658650 332269744 /nfs/dbraw/zinc/26/97/44/332269744.db2.gz AXYCHBIIYDLVMG-AAEUAGOBSA-N 1 2 288.351 0.249 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491660515 332270761 /nfs/dbraw/zinc/27/07/61/332270761.db2.gz JWEBUUULNRYCJF-UHFFFAOYSA-N 1 2 289.379 0.519 20 30 CCEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)C1CC1 ZINC000491704682 332298023 /nfs/dbraw/zinc/29/80/23/332298023.db2.gz JMTULINRLICKJS-UHFFFAOYSA-N 1 2 260.341 0.476 20 30 CCEDLO C#CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)C1CC1 ZINC000491704682 332298024 /nfs/dbraw/zinc/29/80/24/332298024.db2.gz JMTULINRLICKJS-UHFFFAOYSA-N 1 2 260.341 0.476 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000491739895 332319143 /nfs/dbraw/zinc/31/91/43/332319143.db2.gz UKJFSMXLRBAOBO-HZPDHXFCSA-N 1 2 275.348 0.898 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000491739895 332319144 /nfs/dbraw/zinc/31/91/44/332319144.db2.gz UKJFSMXLRBAOBO-HZPDHXFCSA-N 1 2 275.348 0.898 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491806482 332359900 /nfs/dbraw/zinc/35/99/00/332359900.db2.gz ADEYESRECFWSQK-DZGCQCFKSA-N 1 2 259.353 0.998 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOC[C@H]1C#N ZINC000492489862 332399935 /nfs/dbraw/zinc/39/99/35/332399935.db2.gz HBLDKAWEIYBHHK-PGLGOXFNSA-N 1 2 260.297 0.667 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)CCCOC)CC1 ZINC000132163145 333973615 /nfs/dbraw/zinc/97/36/15/333973615.db2.gz KLNNDINYGZFSBB-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000516646197 333080194 /nfs/dbraw/zinc/08/01/94/333080194.db2.gz GJRSZNUIVIYQNG-AAEUAGOBSA-N 1 2 278.356 0.853 20 30 CCEDLO CCn1ncnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000193368779 333248898 /nfs/dbraw/zinc/24/88/98/333248898.db2.gz WDHRLYVZXHFSHQ-UHFFFAOYSA-N 1 2 292.387 0.346 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000575998868 335140009 /nfs/dbraw/zinc/14/00/09/335140009.db2.gz NLNOMUGUDGBMLK-CYBMUJFWSA-N 1 2 284.319 0.095 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCCOC)CC1 ZINC000128197948 333644475 /nfs/dbraw/zinc/64/44/75/333644475.db2.gz HIXYFAODCJYIKH-UHFFFAOYSA-N 1 2 256.371 0.143 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000134743500 334102621 /nfs/dbraw/zinc/10/26/21/334102621.db2.gz BMOZBJOMVVNFMY-AWEZNQCLSA-N 1 2 261.369 0.453 20 30 CCEDLO CC#CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135465596 334130900 /nfs/dbraw/zinc/13/09/00/334130900.db2.gz JSBWYEHTRDHDAR-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000568182452 334801724 /nfs/dbraw/zinc/80/17/24/334801724.db2.gz PKBABBCBBWPXBI-SNVBAGLBSA-N 1 2 278.312 0.887 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000580554193 335279295 /nfs/dbraw/zinc/27/92/95/335279295.db2.gz QOWMFHCHSBAQNZ-FPMFFAJLSA-N 1 2 292.383 0.730 20 30 CCEDLO C=CCOC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000581617692 336113573 /nfs/dbraw/zinc/11/35/73/336113573.db2.gz ZTSOVHRCXNISGP-LLVKDONJSA-N 1 2 284.356 0.189 20 30 CCEDLO CN1C(=O)CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000386180476 336167524 /nfs/dbraw/zinc/16/75/24/336167524.db2.gz HNVQCMYAPLDHNU-MRVPVSSYSA-N 1 2 264.310 0.252 20 30 CCEDLO Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)c(C#N)c[nH+]1 ZINC000425263810 534033707 /nfs/dbraw/zinc/03/37/07/534033707.db2.gz CPYAKBCHFRUBKA-LLVKDONJSA-N 1 2 258.325 0.964 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162621 534222799 /nfs/dbraw/zinc/22/27/99/534222799.db2.gz IDHKPVHHNFJQMH-YPMLDQLKSA-N 1 2 271.386 0.248 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347162621 534222801 /nfs/dbraw/zinc/22/28/01/534222801.db2.gz IDHKPVHHNFJQMH-YPMLDQLKSA-N 1 2 271.386 0.248 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443721482 534257513 /nfs/dbraw/zinc/25/75/13/534257513.db2.gz HABHXJVOKIEEIC-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052659225 519640062 /nfs/dbraw/zinc/64/00/62/519640062.db2.gz PVQNCBWXRXVHBL-ZDUSSCGKSA-N 1 2 268.361 0.237 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052659225 519640063 /nfs/dbraw/zinc/64/00/63/519640063.db2.gz PVQNCBWXRXVHBL-ZDUSSCGKSA-N 1 2 268.361 0.237 20 30 CCEDLO C[C@@H](O)C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147440124 525783482 /nfs/dbraw/zinc/78/34/82/525783482.db2.gz WQEJUNBLGDPTPD-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@@H](O)C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147440124 525783488 /nfs/dbraw/zinc/78/34/88/525783488.db2.gz WQEJUNBLGDPTPD-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665941405 545110224 /nfs/dbraw/zinc/11/02/24/545110224.db2.gz XMDSIZZSJGAINA-TXEJJXNPSA-N 1 2 253.346 0.725 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665941405 545110225 /nfs/dbraw/zinc/11/02/25/545110225.db2.gz XMDSIZZSJGAINA-TXEJJXNPSA-N 1 2 253.346 0.725 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000666148249 545114163 /nfs/dbraw/zinc/11/41/63/545114163.db2.gz CAGDTLXJHAZHME-OAHLLOKOSA-N 1 2 291.351 0.471 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331573401 526609294 /nfs/dbraw/zinc/60/92/94/526609294.db2.gz ZZXVGEATADMQKK-JQWIXIFHSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331573401 526609299 /nfs/dbraw/zinc/60/92/99/526609299.db2.gz ZZXVGEATADMQKK-JQWIXIFHSA-N 1 2 281.356 0.498 20 30 CCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000152394009 526635527 /nfs/dbraw/zinc/63/55/27/526635527.db2.gz HSSOFJRIIFQJOU-UHFFFAOYSA-N 1 2 292.726 0.758 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000350457949 527093969 /nfs/dbraw/zinc/09/39/69/527093969.db2.gz IWAQRCQHPFAWTA-QWRGUYRKSA-N 1 2 264.329 0.434 20 30 CCEDLO C=C[C@H](O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055091 545162509 /nfs/dbraw/zinc/16/25/09/545162509.db2.gz RBXZJYOGWSSXSW-QMMMGPOBSA-N 1 2 277.246 0.951 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000333822800 527500822 /nfs/dbraw/zinc/50/08/22/527500822.db2.gz KDKFRLLFDLLDLN-NEPJUHHUSA-N 1 2 268.357 0.557 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332687017 529347105 /nfs/dbraw/zinc/34/71/05/529347105.db2.gz JLMHXHOPZMFRKO-SGMGOOAPSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332687017 529347107 /nfs/dbraw/zinc/34/71/07/529347107.db2.gz JLMHXHOPZMFRKO-SGMGOOAPSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@H](CNS(C)(=O)=O)Nc1cc(C)[nH+]cc1C#N ZINC000425269358 529362916 /nfs/dbraw/zinc/36/29/16/529362916.db2.gz QWMSCLDTLXBQBJ-LLVKDONJSA-N 1 2 282.369 0.423 20 30 CCEDLO CCN(CC)C(=O)CN1CCC[N@H+](CC#CCOC)CC1 ZINC000677816820 545373110 /nfs/dbraw/zinc/37/31/10/545373110.db2.gz CRJUPYSRKQSVEB-UHFFFAOYSA-N 1 2 295.427 0.512 20 30 CCEDLO CCN(CC)C(=O)CN1CCC[N@@H+](CC#CCOC)CC1 ZINC000677816820 545373111 /nfs/dbraw/zinc/37/31/11/545373111.db2.gz CRJUPYSRKQSVEB-UHFFFAOYSA-N 1 2 295.427 0.512 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000678800234 545397753 /nfs/dbraw/zinc/39/77/53/545397753.db2.gz FADUEUAHHGKPJT-LBPRGKRZSA-N 1 2 251.330 0.964 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000679483551 545410218 /nfs/dbraw/zinc/41/02/18/545410218.db2.gz VZPKGENGZMBFSF-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036070 545470931 /nfs/dbraw/zinc/47/09/31/545470931.db2.gz YCHHCLZRVGXYEX-UHFFFAOYSA-N 1 2 295.427 0.576 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036070 545470932 /nfs/dbraw/zinc/47/09/32/545470932.db2.gz YCHHCLZRVGXYEX-UHFFFAOYSA-N 1 2 295.427 0.576 20 30 CCEDLO C=CCOCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683385897 545517202 /nfs/dbraw/zinc/51/72/02/545517202.db2.gz FVAAGKAXIHLXDC-UHFFFAOYSA-N 1 2 283.372 0.353 20 30 CCEDLO C#CCNC(=S)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788335103 581107486 /nfs/dbraw/zinc/10/74/86/581107486.db2.gz YAUXNZGXKGKRJA-NSHDSACASA-N 1 2 255.387 0.147 20 30 CCEDLO CC[N@@H+](CC(=O)NCCC#N)C[C@H](O)C(F)(F)F ZINC000778199444 581144689 /nfs/dbraw/zinc/14/46/89/581144689.db2.gz ZHYPUSJBNUBLIA-QMMMGPOBSA-N 1 2 267.251 0.261 20 30 CCEDLO CC[N@H+](CC(=O)NCCC#N)C[C@H](O)C(F)(F)F ZINC000778199444 581144691 /nfs/dbraw/zinc/14/46/91/581144691.db2.gz ZHYPUSJBNUBLIA-QMMMGPOBSA-N 1 2 267.251 0.261 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C#C)[C@@H]1CCCO1 ZINC000775340016 581176530 /nfs/dbraw/zinc/17/65/30/581176530.db2.gz LLCKWLNHMPTOPP-RDBSUJKOSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C#C)[C@@H]1CCCO1 ZINC000775340016 581176531 /nfs/dbraw/zinc/17/65/31/581176531.db2.gz LLCKWLNHMPTOPP-RDBSUJKOSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C#C)[C@H]1CCCO1 ZINC000775340014 581176533 /nfs/dbraw/zinc/17/65/33/581176533.db2.gz LLCKWLNHMPTOPP-MELADBBJSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C#C)[C@H]1CCCO1 ZINC000775340014 581176534 /nfs/dbraw/zinc/17/65/34/581176534.db2.gz LLCKWLNHMPTOPP-MELADBBJSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CCOCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790137857 581177956 /nfs/dbraw/zinc/17/79/56/581177956.db2.gz XCRCEFDILWQUCF-CYBMUJFWSA-N 1 2 268.357 0.205 20 30 CCEDLO COC(=O)Cn1cccc1C=NNc1[nH+]ccn1C ZINC000790305623 581183209 /nfs/dbraw/zinc/18/32/09/581183209.db2.gz LERKTAVOAUQEQV-UHFFFAOYSA-N 1 2 261.285 0.841 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564123 581191563 /nfs/dbraw/zinc/19/15/63/581191563.db2.gz RJOIITGMAZTDCD-NEPJUHHUSA-N 1 2 295.339 0.522 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)c1 ZINC000779564047 581191607 /nfs/dbraw/zinc/19/16/07/581191607.db2.gz QFSNMURNHPCGLU-ZDUSSCGKSA-N 1 2 298.302 0.726 20 30 CCEDLO C=C(CO)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000791307474 581213658 /nfs/dbraw/zinc/21/36/58/581213658.db2.gz VVKXDXANLAFNST-UHFFFAOYSA-N 1 2 290.363 0.684 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000791367886 581218168 /nfs/dbraw/zinc/21/81/68/581218168.db2.gz SZQGVXKTPUZQRW-CYBMUJFWSA-N 1 2 275.352 0.835 20 30 CCEDLO N#Cc1ccc(CNC(=O)NCCn2cc[nH+]c2)nc1 ZINC000780157280 581221867 /nfs/dbraw/zinc/22/18/67/581221867.db2.gz YGRPURXDYJODIO-UHFFFAOYSA-N 1 2 270.296 0.649 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257198 581234580 /nfs/dbraw/zinc/23/45/80/581234580.db2.gz QTURRFLLJXMXKT-RYUDHWBXSA-N 1 2 268.361 0.508 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257198 581234581 /nfs/dbraw/zinc/23/45/81/581234581.db2.gz QTURRFLLJXMXKT-RYUDHWBXSA-N 1 2 268.361 0.508 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000780674776 581239646 /nfs/dbraw/zinc/23/96/46/581239646.db2.gz HBUFQSYQSIMWEL-OAHLLOKOSA-N 1 2 296.411 0.722 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000780940991 581250863 /nfs/dbraw/zinc/25/08/63/581250863.db2.gz SPWJHXATJVCSIN-ZDUSSCGKSA-N 1 2 270.292 0.674 20 30 CCEDLO Cc1noc(C2(C)CC[NH+](CC(=O)NCCC#N)CC2)n1 ZINC000781350594 581265496 /nfs/dbraw/zinc/26/54/96/581265496.db2.gz PBJXTBPBCSLKQE-UHFFFAOYSA-N 1 2 291.355 0.761 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000793857944 581316360 /nfs/dbraw/zinc/31/63/60/581316360.db2.gz XDZNYFPBHXRGOW-OLZOCXBDSA-N 1 2 261.325 0.650 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000784389551 581382718 /nfs/dbraw/zinc/38/27/18/581382718.db2.gz QTFFSVJVRKNWPE-UHFFFAOYSA-N 1 2 271.364 0.866 20 30 CCEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784848977 581395921 /nfs/dbraw/zinc/39/59/21/581395921.db2.gz QVJZFWCKLVOOEN-SECBINFHSA-N 1 2 274.324 0.532 20 30 CCEDLO C#CCCOc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000785617640 581413600 /nfs/dbraw/zinc/41/36/00/581413600.db2.gz RAXREFJJSMJKFJ-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000786233939 581434816 /nfs/dbraw/zinc/43/48/16/581434816.db2.gz YHUWJYXYNASZKN-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000786233939 581434818 /nfs/dbraw/zinc/43/48/18/581434818.db2.gz YHUWJYXYNASZKN-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO N#CCC1(CNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000797408755 581465539 /nfs/dbraw/zinc/46/55/39/581465539.db2.gz NMOQGMGGGJVFHE-UHFFFAOYSA-N 1 2 282.413 0.477 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000728859823 581512652 /nfs/dbraw/zinc/51/26/52/581512652.db2.gz BSUPFNZSVGOWIW-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#CCOCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000753232253 581532742 /nfs/dbraw/zinc/53/27/42/581532742.db2.gz QJVGBZQUUMJRJP-UHFFFAOYSA-N 1 2 270.292 0.647 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)CC1 ZINC000766060812 581548856 /nfs/dbraw/zinc/54/88/56/581548856.db2.gz XDWNYNGEULKOQY-UHFFFAOYSA-N 1 2 292.320 0.474 20 30 CCEDLO C#CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000754063735 581573037 /nfs/dbraw/zinc/57/30/37/581573037.db2.gz KQOAZEFPYORHJC-LLVKDONJSA-N 1 2 281.356 0.287 20 30 CCEDLO C#CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000754063735 581573040 /nfs/dbraw/zinc/57/30/40/581573040.db2.gz KQOAZEFPYORHJC-LLVKDONJSA-N 1 2 281.356 0.287 20 30 CCEDLO C#CC[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccccc1 ZINC000754142740 581577404 /nfs/dbraw/zinc/57/74/04/581577404.db2.gz VWZPBRMLKRQEDA-LBPRGKRZSA-N 1 2 256.309 0.963 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000767077041 581595478 /nfs/dbraw/zinc/59/54/78/581595478.db2.gz BJASBTSQQXXWQT-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000767077041 581595481 /nfs/dbraw/zinc/59/54/81/581595481.db2.gz BJASBTSQQXXWQT-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000729604730 581606376 /nfs/dbraw/zinc/60/63/76/581606376.db2.gz AVTYPFHEJSSMMX-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000729604730 581606378 /nfs/dbraw/zinc/60/63/78/581606378.db2.gz AVTYPFHEJSSMMX-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO N#Cc1c[nH]c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767562522 581618412 /nfs/dbraw/zinc/61/84/12/581618412.db2.gz PVYRZAYYSDTHOU-TXEJJXNPSA-N 1 2 275.308 0.906 20 30 CCEDLO N#Cc1c[nH]c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767562522 581618416 /nfs/dbraw/zinc/61/84/16/581618416.db2.gz PVYRZAYYSDTHOU-TXEJJXNPSA-N 1 2 275.308 0.906 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739913849 581634471 /nfs/dbraw/zinc/63/44/71/581634471.db2.gz BPMJSWYJBNVVBO-UHFFFAOYSA-N 1 2 283.372 0.880 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739913849 581634475 /nfs/dbraw/zinc/63/44/75/581634475.db2.gz BPMJSWYJBNVVBO-UHFFFAOYSA-N 1 2 283.372 0.880 20 30 CCEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(S(N)(=O)=O)cc1 ZINC000755455065 581640948 /nfs/dbraw/zinc/64/09/48/581640948.db2.gz KKUJJXKHWCKSQD-UHFFFAOYSA-N 1 2 279.325 0.812 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](CO)SC ZINC000769338458 581685026 /nfs/dbraw/zinc/68/50/26/581685026.db2.gz AYLWQGAZEZRENR-GRYCIOLGSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](CO)SC ZINC000769338458 581685028 /nfs/dbraw/zinc/68/50/28/581685028.db2.gz AYLWQGAZEZRENR-GRYCIOLGSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000730274894 581688960 /nfs/dbraw/zinc/68/89/60/581688960.db2.gz RJJAAJJQCNELBS-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000730274894 581688962 /nfs/dbraw/zinc/68/89/62/581688962.db2.gz RJJAAJJQCNELBS-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO NC(=[NH+]OCC1(CO)COC1)c1ccc(F)cc1 ZINC000757344472 581701974 /nfs/dbraw/zinc/70/19/74/581701974.db2.gz ZVUSLNLKEDVCEL-UHFFFAOYSA-N 1 2 254.261 0.472 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741147054 581716011 /nfs/dbraw/zinc/71/60/11/581716011.db2.gz FYEDXNLZKZZPJS-NSHDSACASA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741147054 581716015 /nfs/dbraw/zinc/71/60/15/581716015.db2.gz FYEDXNLZKZZPJS-NSHDSACASA-N 1 2 254.330 0.706 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000741289469 581744232 /nfs/dbraw/zinc/74/42/32/581744232.db2.gz LRHGQWXLKCRRPF-LJQANCHMSA-N 1 2 283.397 0.203 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000741695990 581759034 /nfs/dbraw/zinc/75/90/34/581759034.db2.gz NNOLLWYVGNHPFJ-UHFFFAOYSA-N 1 2 273.336 0.264 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](CCO)C1CC1 ZINC000744388463 581840273 /nfs/dbraw/zinc/84/02/73/581840273.db2.gz QEJVEWQPWPTGEP-UHFFFAOYSA-N 1 2 298.346 0.877 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](CCO)C1CC1 ZINC000744388463 581840277 /nfs/dbraw/zinc/84/02/77/581840277.db2.gz QEJVEWQPWPTGEP-UHFFFAOYSA-N 1 2 298.346 0.877 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000732756921 581846275 /nfs/dbraw/zinc/84/62/75/581846275.db2.gz NVZCIFBCTSWWEM-UHFFFAOYSA-N 1 2 290.367 0.518 20 30 CCEDLO C#CCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000760470134 581860882 /nfs/dbraw/zinc/86/08/82/581860882.db2.gz GTDUUJYDNJBTIQ-NSHDSACASA-N 1 2 263.297 0.414 20 30 CCEDLO C#CCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000760470134 581860883 /nfs/dbraw/zinc/86/08/83/581860883.db2.gz GTDUUJYDNJBTIQ-NSHDSACASA-N 1 2 263.297 0.414 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000733151767 581868247 /nfs/dbraw/zinc/86/82/47/581868247.db2.gz BZHSZAQCYKSFOG-RYUDHWBXSA-N 1 2 280.368 0.930 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000733151767 581868250 /nfs/dbraw/zinc/86/82/50/581868250.db2.gz BZHSZAQCYKSFOG-RYUDHWBXSA-N 1 2 280.368 0.930 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000761061939 581884895 /nfs/dbraw/zinc/88/48/95/581884895.db2.gz JGTWELJXCWBDTB-ONGXEEELSA-N 1 2 278.274 0.514 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000761061939 581884897 /nfs/dbraw/zinc/88/48/97/581884897.db2.gz JGTWELJXCWBDTB-ONGXEEELSA-N 1 2 278.274 0.514 20 30 CCEDLO C#CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000733335428 581901347 /nfs/dbraw/zinc/90/13/47/581901347.db2.gz WRHPQQWMGINBOW-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000761752177 581919580 /nfs/dbraw/zinc/91/95/80/581919580.db2.gz UHIPJNFBFWWORA-CQSZACIVSA-N 1 2 285.307 0.926 20 30 CCEDLO Cn1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761844674 581921925 /nfs/dbraw/zinc/92/19/25/581921925.db2.gz BPONXKWKQKQUQY-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000762278725 581938141 /nfs/dbraw/zinc/93/81/41/581938141.db2.gz TXDUALHSZDLYJV-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000762278725 581938143 /nfs/dbraw/zinc/93/81/43/581938143.db2.gz TXDUALHSZDLYJV-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000762278724 581938194 /nfs/dbraw/zinc/93/81/94/581938194.db2.gz TXDUALHSZDLYJV-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000762278724 581938196 /nfs/dbraw/zinc/93/81/96/581938196.db2.gz TXDUALHSZDLYJV-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO CON=CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000773760189 581940586 /nfs/dbraw/zinc/94/05/86/581940586.db2.gz BAASOGZXELBSDZ-UHFFFAOYSA-N 1 2 259.269 0.516 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000747828723 581954511 /nfs/dbraw/zinc/95/45/11/581954511.db2.gz OOCJYNYDDQUGLM-UHFFFAOYSA-N 1 2 261.281 0.082 20 30 CCEDLO CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(C#N)cc1 ZINC000747862845 581955619 /nfs/dbraw/zinc/95/56/19/581955619.db2.gz GABYFHITRZGOIC-SNVBAGLBSA-N 1 2 290.323 0.708 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C#C)[C@H]1CCCO1 ZINC000775340002 582019413 /nfs/dbraw/zinc/01/94/13/582019413.db2.gz LLCKWLNHMPTOPP-HZSPNIEDSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C#C)[C@H]1CCCO1 ZINC000775340002 582019414 /nfs/dbraw/zinc/01/94/14/582019414.db2.gz LLCKWLNHMPTOPP-HZSPNIEDSA-N 1 2 260.337 0.381 20 30 CCEDLO CCOc1ccc(/C=[NH+]\Cc2nnn(C)n2)c(O)c1 ZINC000775739601 582035447 /nfs/dbraw/zinc/03/54/47/582035447.db2.gz GXRMUYQJGXRBHK-QPEQYQDCSA-N 1 2 261.285 0.934 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)NC ZINC000764201949 582036011 /nfs/dbraw/zinc/03/60/11/582036011.db2.gz QNJXBKCETATWDJ-LBPRGKRZSA-N 1 2 269.389 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201949 582036014 /nfs/dbraw/zinc/03/60/14/582036014.db2.gz QNJXBKCETATWDJ-LBPRGKRZSA-N 1 2 269.389 0.867 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)[C@@H]1CCCO1 ZINC000775799518 582039570 /nfs/dbraw/zinc/03/95/70/582039570.db2.gz KQHRZWBSEFGREM-IHRRRGAJSA-N 1 2 258.321 0.983 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000764966814 582078864 /nfs/dbraw/zinc/07/88/64/582078864.db2.gz VXVPTWPKMRMZKA-KGLIPLIRSA-N 1 2 264.369 0.825 20 30 CCEDLO COc1cc(C)[nH+]c(CN=Nc2nccn(C)c2=O)c1 ZINC000776770977 582089925 /nfs/dbraw/zinc/08/99/25/582089925.db2.gz FESMHXUURUYSCE-UHFFFAOYSA-N 1 2 273.296 0.938 20 30 CCEDLO C[C@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccccc1 ZINC000752154579 582101663 /nfs/dbraw/zinc/10/16/63/582101663.db2.gz IDEZTDHWDLNFCC-JTQLQIEISA-N 1 2 267.354 0.902 20 30 CCEDLO C[C@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccccc1 ZINC000752154579 582101664 /nfs/dbraw/zinc/10/16/64/582101664.db2.gz IDEZTDHWDLNFCC-JTQLQIEISA-N 1 2 267.354 0.902 20 30 CCEDLO C=C(Br)Cn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000881430013 613238947 /nfs/dbraw/zinc/23/89/47/613238947.db2.gz ZDDLYKUHDYDAKW-MRVPVSSYSA-N 1 2 289.133 0.230 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CC#C)C1 ZINC000885508010 612984915 /nfs/dbraw/zinc/98/49/15/612984915.db2.gz AZCFNRBWLWMSBF-CYBMUJFWSA-N 1 2 268.382 0.417 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CC#C)C1 ZINC000885508010 612984918 /nfs/dbraw/zinc/98/49/18/612984918.db2.gz AZCFNRBWLWMSBF-CYBMUJFWSA-N 1 2 268.382 0.417 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000830787300 612993813 /nfs/dbraw/zinc/99/38/13/612993813.db2.gz SCMOIYGUQJPLQP-MJBXVCDLSA-N 1 2 282.384 0.592 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000830787300 612993815 /nfs/dbraw/zinc/99/38/15/612993815.db2.gz SCMOIYGUQJPLQP-MJBXVCDLSA-N 1 2 282.384 0.592 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727063 612999489 /nfs/dbraw/zinc/99/94/89/612999489.db2.gz UNDGRYANJGJAEA-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000864419283 612946580 /nfs/dbraw/zinc/94/65/80/612946580.db2.gz DOIMTKXRPVDCFG-UHFFFAOYSA-N 1 2 295.383 0.725 20 30 CCEDLO C#CCSCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913439706 613010364 /nfs/dbraw/zinc/01/03/64/613010364.db2.gz ITFJLKVFQCGYFE-LLVKDONJSA-N 1 2 264.354 0.249 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932364121 612948393 /nfs/dbraw/zinc/94/83/93/612948393.db2.gz NCWUKKBUGYNJSR-PWSUYJOCSA-N 1 2 258.325 0.655 20 30 CCEDLO CS(=O)(=O)[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848419145 617179019 /nfs/dbraw/zinc/17/90/19/617179019.db2.gz ZSTXLEPTINGXMA-GFCCVEGCSA-N 1 2 284.385 0.816 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317140 612950165 /nfs/dbraw/zinc/95/01/65/612950165.db2.gz IEPLCTWNEKQWLJ-LBPRGKRZSA-N 1 2 272.352 0.471 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317140 612950167 /nfs/dbraw/zinc/95/01/67/612950167.db2.gz IEPLCTWNEKQWLJ-LBPRGKRZSA-N 1 2 272.352 0.471 20 30 CCEDLO C#CCNC(=O)c1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC000858770457 612952686 /nfs/dbraw/zinc/95/26/86/612952686.db2.gz RRQUBCSURXUUSB-ZDUSSCGKSA-N 1 2 288.351 0.187 20 30 CCEDLO C#CCNC(=O)c1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC000858770457 612952687 /nfs/dbraw/zinc/95/26/87/612952687.db2.gz RRQUBCSURXUUSB-ZDUSSCGKSA-N 1 2 288.351 0.187 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000858283284 613050827 /nfs/dbraw/zinc/05/08/27/613050827.db2.gz FSSVLOAUUJPKRG-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000858283284 613050829 /nfs/dbraw/zinc/05/08/29/613050829.db2.gz FSSVLOAUUJPKRG-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000808300029 613052093 /nfs/dbraw/zinc/05/20/93/613052093.db2.gz VJZOZRAZLABUIP-UHFFFAOYSA-N 1 2 288.413 0.382 20 30 CCEDLO N#CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826382299 608672936 /nfs/dbraw/zinc/67/29/36/608672936.db2.gz XMCHWFDDTPCNMH-UHFFFAOYSA-N 1 2 273.300 0.101 20 30 CCEDLO C#CCCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900868902 612978865 /nfs/dbraw/zinc/97/88/65/612978865.db2.gz CBWUZARXMJONIM-ACCUITESSA-N 1 2 250.342 0.795 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940705334 617293981 /nfs/dbraw/zinc/29/39/81/617293981.db2.gz OZZOXFRURXGIAO-HOSYDEDBSA-N 1 2 289.339 0.075 20 30 CCEDLO C#CCC(CC#C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000803697913 612968059 /nfs/dbraw/zinc/96/80/59/612968059.db2.gz XEIAWJJONRDNOB-ZDUSSCGKSA-N 1 2 263.337 0.913 20 30 CCEDLO C#CCC(CC#C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000803697913 612968061 /nfs/dbraw/zinc/96/80/61/612968061.db2.gz XEIAWJJONRDNOB-ZDUSSCGKSA-N 1 2 263.337 0.913 20 30 CCEDLO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981314279 612972725 /nfs/dbraw/zinc/97/27/25/612972725.db2.gz HVSKRHQXXAPXEB-VHSXEESVSA-N 1 2 264.304 0.813 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2C)CC1 ZINC000880479422 612973408 /nfs/dbraw/zinc/97/34/08/612973408.db2.gz UGSDCBZHDTXDQY-UHFFFAOYSA-N 1 2 290.367 0.517 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871217947 612974669 /nfs/dbraw/zinc/97/46/69/612974669.db2.gz CSSSYLSVDWSGSM-UHFFFAOYSA-N 1 2 286.379 0.967 20 30 CCEDLO C#CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923779941 612976829 /nfs/dbraw/zinc/97/68/29/612976829.db2.gz GSCFYIXZDBGZFA-NEPJUHHUSA-N 1 2 253.298 0.043 20 30 CCEDLO C#CCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934595681 612978217 /nfs/dbraw/zinc/97/82/17/612978217.db2.gz OMSCCHWTTYVOEU-CABCVRRESA-N 1 2 294.395 0.786 20 30 CCEDLO C#CCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000920754953 612982354 /nfs/dbraw/zinc/98/23/54/612982354.db2.gz JMBHUFJDIXJIOB-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000851713302 612983337 /nfs/dbraw/zinc/98/33/37/612983337.db2.gz DCNABBBKHKEBMY-UHFFFAOYSA-N 1 2 262.309 0.687 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000853619840 612989388 /nfs/dbraw/zinc/98/93/88/612989388.db2.gz LMYWYQXOMAAEOV-HNNXBMFYSA-N 1 2 293.367 0.636 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000853619840 612989389 /nfs/dbraw/zinc/98/93/89/612989389.db2.gz LMYWYQXOMAAEOV-HNNXBMFYSA-N 1 2 293.367 0.636 20 30 CCEDLO C#CCOCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000852212566 612990044 /nfs/dbraw/zinc/99/00/44/612990044.db2.gz CDGLDUXZMUMZMD-IHRRRGAJSA-N 1 2 283.368 0.973 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765477 613002043 /nfs/dbraw/zinc/00/20/43/613002043.db2.gz SQUOFKREUBBVPK-SNVBAGLBSA-N 1 2 281.381 0.859 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000806592499 613010750 /nfs/dbraw/zinc/01/07/50/613010750.db2.gz CDHZGTSVPSSEQX-UHFFFAOYSA-N 1 2 268.320 0.734 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000863783864 613022152 /nfs/dbraw/zinc/02/21/52/613022152.db2.gz VQRMSQALCPQVTL-STQMWFEESA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000859031223 613034028 /nfs/dbraw/zinc/03/40/28/613034028.db2.gz GEUGSVQTPNWIHR-STQMWFEESA-N 1 2 290.367 0.957 20 30 CCEDLO C#CCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000810402380 613047543 /nfs/dbraw/zinc/04/75/43/613047543.db2.gz IHFVBKDVJUZSGQ-CYBMUJFWSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000810402380 613047545 /nfs/dbraw/zinc/04/75/45/613047545.db2.gz IHFVBKDVJUZSGQ-CYBMUJFWSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CCCOC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000859034868 613048876 /nfs/dbraw/zinc/04/88/76/613048876.db2.gz SRUPBUXDIPDDNV-CYBMUJFWSA-N 1 2 266.341 0.943 20 30 CCEDLO C#CCCOC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921433008 613050761 /nfs/dbraw/zinc/05/07/61/613050761.db2.gz GJEHGOJASSIPIR-GFCCVEGCSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000799078217 613062862 /nfs/dbraw/zinc/06/28/62/613062862.db2.gz AUALXBBJCNDAAT-GJZGRUSLSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000799078217 613062864 /nfs/dbraw/zinc/06/28/64/613062864.db2.gz AUALXBBJCNDAAT-GJZGRUSLSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000834614458 613077435 /nfs/dbraw/zinc/07/74/35/613077435.db2.gz DJGLCLAENBHBGZ-ZDUSSCGKSA-N 1 2 283.335 0.592 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000821567697 613083049 /nfs/dbraw/zinc/08/30/49/613083049.db2.gz UTRIXGSGUCRPRD-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820647956 613084982 /nfs/dbraw/zinc/08/49/82/613084982.db2.gz YFPLNLKFMKVVNL-KBPBESRZSA-N 1 2 297.399 0.123 20 30 CCEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCOCC1 ZINC000856108221 613092071 /nfs/dbraw/zinc/09/20/71/613092071.db2.gz FDEYBMNFWNNFBX-CYBMUJFWSA-N 1 2 261.325 0.818 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000877616716 613106475 /nfs/dbraw/zinc/10/64/75/613106475.db2.gz GIPBKXICWRWSGY-SNVBAGLBSA-N 1 2 268.338 0.772 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000877616716 613106476 /nfs/dbraw/zinc/10/64/76/613106476.db2.gz GIPBKXICWRWSGY-SNVBAGLBSA-N 1 2 268.338 0.772 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nccs3)CC2)C1 ZINC000941614713 613116036 /nfs/dbraw/zinc/11/60/36/613116036.db2.gz HEEWUZNZQWMRJX-UHFFFAOYSA-N 1 2 290.392 0.218 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852274582 613122746 /nfs/dbraw/zinc/12/27/46/613122746.db2.gz FAIMESXEUHNZDQ-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CCN1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751636 613127180 /nfs/dbraw/zinc/12/71/80/613127180.db2.gz HWGSHQSGXHRISM-LBPRGKRZSA-N 1 2 286.379 0.831 20 30 CCEDLO C#C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCOCC1 ZINC000856108222 613133058 /nfs/dbraw/zinc/13/30/58/613133058.db2.gz FDEYBMNFWNNFBX-ZDUSSCGKSA-N 1 2 261.325 0.818 20 30 CCEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCOCC1 ZINC000856104987 613133092 /nfs/dbraw/zinc/13/30/92/613133092.db2.gz ZVUJJNYVWJPEBU-LBPRGKRZSA-N 1 2 261.325 0.887 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)o2)CC1 ZINC000921438150 613138530 /nfs/dbraw/zinc/13/85/30/613138530.db2.gz RUDDEARTWBOMHZ-UHFFFAOYSA-N 1 2 282.365 0.964 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909923641 613160202 /nfs/dbraw/zinc/16/02/02/613160202.db2.gz OUFYIOZZZVETLX-UELRPHRMSA-N 1 2 278.352 0.126 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)c2cccn2C)C1 ZINC000923560343 613180774 /nfs/dbraw/zinc/18/07/74/613180774.db2.gz TXEHKWBHCSQKFV-LBPRGKRZSA-N 1 2 273.336 0.422 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)c2cccn2C)C1 ZINC000923560343 613180776 /nfs/dbraw/zinc/18/07/76/613180776.db2.gz TXEHKWBHCSQKFV-LBPRGKRZSA-N 1 2 273.336 0.422 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000974932303 613186481 /nfs/dbraw/zinc/18/64/81/613186481.db2.gz UHJPXGBYEQBTGW-CQSZACIVSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000974932303 613186483 /nfs/dbraw/zinc/18/64/83/613186483.db2.gz UHJPXGBYEQBTGW-CQSZACIVSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000923561835 613190865 /nfs/dbraw/zinc/19/08/65/613190865.db2.gz NKCIRWJBUPBZSB-NSHDSACASA-N 1 2 290.319 0.476 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000923561835 613190866 /nfs/dbraw/zinc/19/08/66/613190866.db2.gz NKCIRWJBUPBZSB-NSHDSACASA-N 1 2 290.319 0.476 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000885512687 613193129 /nfs/dbraw/zinc/19/31/29/613193129.db2.gz XXHXIIJRMNLRLP-OLZOCXBDSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000885512687 613193131 /nfs/dbraw/zinc/19/31/31/613193131.db2.gz XXHXIIJRMNLRLP-OLZOCXBDSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887674581 613195842 /nfs/dbraw/zinc/19/58/42/613195842.db2.gz FQOKAXYIBJDNPR-JSGCOSHPSA-N 1 2 261.325 0.225 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887674581 613195843 /nfs/dbraw/zinc/19/58/43/613195843.db2.gz FQOKAXYIBJDNPR-JSGCOSHPSA-N 1 2 261.325 0.225 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353307 613206516 /nfs/dbraw/zinc/20/65/16/613206516.db2.gz WIWNVNQHICGFOT-KRWDZBQOSA-N 1 2 297.402 0.717 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353307 613206518 /nfs/dbraw/zinc/20/65/18/613206518.db2.gz WIWNVNQHICGFOT-KRWDZBQOSA-N 1 2 297.402 0.717 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898893575 613207057 /nfs/dbraw/zinc/20/70/57/613207057.db2.gz FUSKTDIRYZSTMD-AWEZNQCLSA-N 1 2 283.331 0.794 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000855406329 613216956 /nfs/dbraw/zinc/21/69/56/613216956.db2.gz DACSLKBHEYRCQW-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000855406329 613216958 /nfs/dbraw/zinc/21/69/58/613216958.db2.gz DACSLKBHEYRCQW-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965032157 613217274 /nfs/dbraw/zinc/21/72/74/613217274.db2.gz LDPDZVQCUCALQG-KOLCDFICSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965032157 613217275 /nfs/dbraw/zinc/21/72/75/613217275.db2.gz LDPDZVQCUCALQG-KOLCDFICSA-N 1 2 278.381 0.920 20 30 CCEDLO C/C(=C/C(=O)N1CCOC[C@H]1C#N)C[NH+]1CCOCC1 ZINC000900848484 613230679 /nfs/dbraw/zinc/23/06/79/613230679.db2.gz UDDIOCXRUMLFTE-LLBKUYECSA-N 1 2 279.340 0.016 20 30 CCEDLO C/C(=C\C(=O)N1CC[C@](O)(CC#N)C1)C[NH+]1CCOCC1 ZINC000911526536 613253880 /nfs/dbraw/zinc/25/38/80/613253880.db2.gz JRCLXLGATVRSCX-NRMKIYEFSA-N 1 2 293.367 0.142 20 30 CCEDLO C/C(=C\C(=O)NC1(C#N)CCC1)C[NH+]1CCOCC1 ZINC000900397877 613255151 /nfs/dbraw/zinc/25/51/51/613255151.db2.gz QETZEKMETXBSJY-FMIVXFBMSA-N 1 2 263.341 0.827 20 30 CCEDLO C/C(=C\C(=O)N[C@@H](C#N)C1CC1)C[NH+]1CCOCC1 ZINC000900639483 613258089 /nfs/dbraw/zinc/25/80/89/613258089.db2.gz YDUGONIILPMMIZ-YKWSONSWSA-N 1 2 263.341 0.683 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000974826471 613298049 /nfs/dbraw/zinc/29/80/49/613298049.db2.gz JNMYWRJRSIFSNK-ZDUSSCGKSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000974826471 613298051 /nfs/dbraw/zinc/29/80/51/613298051.db2.gz JNMYWRJRSIFSNK-ZDUSSCGKSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC000949844264 613319577 /nfs/dbraw/zinc/31/95/77/613319577.db2.gz FJKLAYVVGJLVDY-ZDUSSCGKSA-N 1 2 256.321 0.835 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000949208751 613320372 /nfs/dbraw/zinc/32/03/72/613320372.db2.gz FAXCLLULDGQADQ-UHFFFAOYSA-N 1 2 277.324 0.712 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(CCC)nn2)CC1 ZINC000876633680 613323670 /nfs/dbraw/zinc/32/36/70/613323670.db2.gz GQFWOTFOWLINPV-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000920089854 613327453 /nfs/dbraw/zinc/32/74/53/613327453.db2.gz WCWNZWRCQXBDLS-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000920089854 613327455 /nfs/dbraw/zinc/32/74/55/613327455.db2.gz WCWNZWRCQXBDLS-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000829887158 613328875 /nfs/dbraw/zinc/32/88/75/613328875.db2.gz IHRHQVPRQGQWBS-UHFFFAOYSA-N 1 2 255.321 0.920 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000829887158 613328876 /nfs/dbraw/zinc/32/88/76/613328876.db2.gz IHRHQVPRQGQWBS-UHFFFAOYSA-N 1 2 255.321 0.920 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934346911 613329135 /nfs/dbraw/zinc/32/91/35/613329135.db2.gz MRJKSRBKGKKYNS-CQSZACIVSA-N 1 2 273.336 0.977 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934346911 613329137 /nfs/dbraw/zinc/32/91/37/613329137.db2.gz MRJKSRBKGKKYNS-CQSZACIVSA-N 1 2 273.336 0.977 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000852551423 613330430 /nfs/dbraw/zinc/33/04/30/613330430.db2.gz VZVZXLQDBMTYPP-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000852551423 613330431 /nfs/dbraw/zinc/33/04/31/613330431.db2.gz VZVZXLQDBMTYPP-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000852629046 613330835 /nfs/dbraw/zinc/33/08/35/613330835.db2.gz SRBPYUUXWIIHRN-LBPRGKRZSA-N 1 2 289.383 0.795 20 30 CCEDLO C=C(C)CONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000845607860 613353195 /nfs/dbraw/zinc/35/31/95/613353195.db2.gz BNTBACJAXJYWLN-STQMWFEESA-N 1 2 283.372 0.999 20 30 CCEDLO C=C(C)CONC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923079887 613353746 /nfs/dbraw/zinc/35/37/46/613353746.db2.gz HMGULRQULKXGRZ-GFCCVEGCSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCCn1cc[nH+]c1 ZINC000883068279 613354874 /nfs/dbraw/zinc/35/48/74/613354874.db2.gz ODRDGHJFNOXDGK-NSHDSACASA-N 1 2 252.318 0.509 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882896972 613355180 /nfs/dbraw/zinc/35/51/80/613355180.db2.gz XBOLETLGJCUWJA-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000883630766 613357892 /nfs/dbraw/zinc/35/78/92/613357892.db2.gz CORATDNBUDGMJJ-NWDGAFQWSA-N 1 2 278.356 0.824 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000913661105 613358675 /nfs/dbraw/zinc/35/86/75/613358675.db2.gz AWSALPVLVLZSBX-JTQLQIEISA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913555493 613362951 /nfs/dbraw/zinc/36/29/51/613362951.db2.gz FMENTEDXCJGIPI-YNEHKIRRSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913555493 613362952 /nfs/dbraw/zinc/36/29/52/613362952.db2.gz FMENTEDXCJGIPI-YNEHKIRRSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000970021149 613371661 /nfs/dbraw/zinc/37/16/61/613371661.db2.gz RDIZSBQMAFTPPC-GHMZBOCLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1 ZINC000957994423 613380403 /nfs/dbraw/zinc/38/04/03/613380403.db2.gz BNQGNQFETVCUAH-VXGBXAGGSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1 ZINC000957994423 613380404 /nfs/dbraw/zinc/38/04/04/613380404.db2.gz BNQGNQFETVCUAH-VXGBXAGGSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2oncc2C)[C@H](O)C1 ZINC000958559340 613380412 /nfs/dbraw/zinc/38/04/12/613380412.db2.gz NUHOMBPHYPSFLP-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2oncc2C)[C@H](O)C1 ZINC000958559340 613380413 /nfs/dbraw/zinc/38/04/13/613380413.db2.gz NUHOMBPHYPSFLP-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931631740 613396794 /nfs/dbraw/zinc/39/67/94/613396794.db2.gz JKKYWKZCDUBHOD-WDEREUQCSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931631740 613396796 /nfs/dbraw/zinc/39/67/96/613396796.db2.gz JKKYWKZCDUBHOD-WDEREUQCSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000878720994 613397312 /nfs/dbraw/zinc/39/73/12/613397312.db2.gz SQRFSKBJYZFDTH-ZDUSSCGKSA-N 1 2 278.356 0.645 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000879034861 613412685 /nfs/dbraw/zinc/41/26/85/613412685.db2.gz LXNXCXWEQIVAAX-ZWNOBZJWSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000879034861 613412688 /nfs/dbraw/zinc/41/26/88/613412688.db2.gz LXNXCXWEQIVAAX-ZWNOBZJWSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccncc1 ZINC000829690720 613418722 /nfs/dbraw/zinc/41/87/22/613418722.db2.gz ZALLQJLOINUEEG-ZDUSSCGKSA-N 1 2 288.351 0.247 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCF)CC2(C)C)nn1 ZINC000977276638 613430699 /nfs/dbraw/zinc/43/06/99/613430699.db2.gz ZYXYMUFNPJDLKF-GFCCVEGCSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCF)CC2(C)C)nn1 ZINC000977276638 613430700 /nfs/dbraw/zinc/43/07/00/613430700.db2.gz ZYXYMUFNPJDLKF-GFCCVEGCSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000981750639 613430867 /nfs/dbraw/zinc/43/08/67/613430867.db2.gz FLMILJCPIIIXKF-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000981750639 613430868 /nfs/dbraw/zinc/43/08/68/613430868.db2.gz FLMILJCPIIIXKF-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=CCn1cc(C(=O)OCCc2c[nH+]cn2C)nn1 ZINC000830119469 613432600 /nfs/dbraw/zinc/43/26/00/613432600.db2.gz BPPJOIUEUZTBQL-UHFFFAOYSA-N 1 2 261.285 0.597 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923086749 613446474 /nfs/dbraw/zinc/44/64/74/613446474.db2.gz PBXBXFCSZQCOCD-NEPJUHHUSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435845 613477475 /nfs/dbraw/zinc/47/74/75/613477475.db2.gz YOUIBJHNDYJBHO-OAHLLOKOSA-N 1 2 281.400 0.162 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454221 613479801 /nfs/dbraw/zinc/47/98/01/613479801.db2.gz ZNKUZVOVBPYTEO-WCQYABFASA-N 1 2 264.329 0.210 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932022472 613482198 /nfs/dbraw/zinc/48/21/98/613482198.db2.gz UYRBVQVSEFGFNY-JTNHKYCSSA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932022472 613482199 /nfs/dbraw/zinc/48/21/99/613482199.db2.gz UYRBVQVSEFGFNY-JTNHKYCSSA-N 1 2 282.340 0.925 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972290207 613570109 /nfs/dbraw/zinc/57/01/09/613570109.db2.gz SQLIGFFFMSBLHO-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972290207 613570110 /nfs/dbraw/zinc/57/01/10/613570110.db2.gz SQLIGFFFMSBLHO-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972278795 613571159 /nfs/dbraw/zinc/57/11/59/613571159.db2.gz KDGMRUFRSMZRJS-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972278795 613571162 /nfs/dbraw/zinc/57/11/62/613571162.db2.gz KDGMRUFRSMZRJS-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO C=CCCn1cc(C(=O)OCc2c[nH+]cn2C)nn1 ZINC000820162160 613597363 /nfs/dbraw/zinc/59/73/63/613597363.db2.gz LRAPDZLXUGWCEV-UHFFFAOYSA-N 1 2 261.285 0.945 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](C)COC ZINC000853604780 613605747 /nfs/dbraw/zinc/60/57/47/613605747.db2.gz ILWNPSWVQOBQPL-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](C)COC ZINC000853604780 613605749 /nfs/dbraw/zinc/60/57/49/613605749.db2.gz ILWNPSWVQOBQPL-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925612869 613651745 /nfs/dbraw/zinc/65/17/45/613651745.db2.gz VRNVVOOJAZARCN-UONOGXRCSA-N 1 2 297.399 0.171 20 30 CCEDLO C=CC[N@H+](Cc1nnc2c(=O)n(C)ccn12)C(C)C ZINC000877975306 613651924 /nfs/dbraw/zinc/65/19/24/613651924.db2.gz FOHIYERLUKVIHI-UHFFFAOYSA-N 1 2 261.329 0.824 20 30 CCEDLO C=CC[N@@H+](Cc1nnc2c(=O)n(C)ccn12)C(C)C ZINC000877975306 613651925 /nfs/dbraw/zinc/65/19/25/613651925.db2.gz FOHIYERLUKVIHI-UHFFFAOYSA-N 1 2 261.329 0.824 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC000957426851 613653624 /nfs/dbraw/zinc/65/36/24/613653624.db2.gz HGKWHITVOJOBOA-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000970905845 613663377 /nfs/dbraw/zinc/66/33/77/613663377.db2.gz WOHWLFCNSJMSAU-ZYHUDNBSSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2c(C)csc2=O)CC1 ZINC000957626061 613710100 /nfs/dbraw/zinc/71/01/00/613710100.db2.gz SLRPYDHJMBYGPW-UHFFFAOYSA-N 1 2 281.381 0.548 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2nc(C3CC3)nn2C)CC1 ZINC000957719395 613710109 /nfs/dbraw/zinc/71/01/09/613710109.db2.gz RJRQBMNZELCLFS-UHFFFAOYSA-N 1 2 289.383 0.565 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3c(cnn3C)c2)CC1 ZINC000952399499 613718222 /nfs/dbraw/zinc/71/82/22/613718222.db2.gz ZBPCEEIGXSOUET-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H]2C2OCCO2)C1=O ZINC000902623977 613720099 /nfs/dbraw/zinc/72/00/99/613720099.db2.gz AGQPYPCDVIDZKW-LBPRGKRZSA-N 1 2 281.356 0.705 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCC[C@H]2C2OCCO2)C1=O ZINC000902623977 613720101 /nfs/dbraw/zinc/72/01/01/613720101.db2.gz AGQPYPCDVIDZKW-LBPRGKRZSA-N 1 2 281.356 0.705 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972558222 613724190 /nfs/dbraw/zinc/72/41/90/613724190.db2.gz YVNDHXIKKMDQFY-YCPHGPKFSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972558222 613724191 /nfs/dbraw/zinc/72/41/91/613724191.db2.gz YVNDHXIKKMDQFY-YCPHGPKFSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC000805470674 613764767 /nfs/dbraw/zinc/76/47/67/613764767.db2.gz SOTLTAZJBHCWOS-VXGBXAGGSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC000805470674 613764770 /nfs/dbraw/zinc/76/47/70/613764770.db2.gz SOTLTAZJBHCWOS-VXGBXAGGSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455438 613851153 /nfs/dbraw/zinc/85/11/53/613851153.db2.gz JWVVKYVTECBLGX-NXEZZACHSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455438 613851155 /nfs/dbraw/zinc/85/11/55/613851155.db2.gz JWVVKYVTECBLGX-NXEZZACHSA-N 1 2 291.355 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002253 613851625 /nfs/dbraw/zinc/85/16/25/613851625.db2.gz ZDQQHALTULOPFT-UWVGGRQHSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002253 613851626 /nfs/dbraw/zinc/85/16/26/613851626.db2.gz ZDQQHALTULOPFT-UWVGGRQHSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905052589 613856663 /nfs/dbraw/zinc/85/66/63/613856663.db2.gz KWODOLGVUZSGHW-UHFFFAOYSA-N 1 2 263.341 0.736 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1CCOC[C@H]1CC ZINC000871688717 613857365 /nfs/dbraw/zinc/85/73/65/613857365.db2.gz QNVMASRTKXIXHF-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1CCOC[C@H]1CC ZINC000871688717 613857367 /nfs/dbraw/zinc/85/73/67/613857367.db2.gz QNVMASRTKXIXHF-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC1(C)C ZINC000884118059 613877575 /nfs/dbraw/zinc/87/75/75/613877575.db2.gz SZDQIJHGSMMQMK-JTQLQIEISA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000884383196 613877661 /nfs/dbraw/zinc/87/76/61/613877661.db2.gz CGONKTNXWNPNFH-OLZOCXBDSA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOCC12CCC2 ZINC000884379042 613877741 /nfs/dbraw/zinc/87/77/41/613877741.db2.gz MKXPEAZHJADCRS-NSHDSACASA-N 1 2 282.340 0.215 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CC)C1 ZINC000884066952 613877818 /nfs/dbraw/zinc/87/78/18/613877818.db2.gz PCSVMJIHTOQJDB-MNOVXSKESA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000884251962 613877847 /nfs/dbraw/zinc/87/78/47/613877847.db2.gz XSKHWZRIIXLXLC-AXFHLTTASA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](OC)CC[C@H]1C ZINC000884462021 613878016 /nfs/dbraw/zinc/87/80/16/613878016.db2.gz SWTGYNXOPMFQPZ-UTUOFQBUSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](OC)CC[C@@H]1C ZINC000884462020 613878027 /nfs/dbraw/zinc/87/80/27/613878027.db2.gz SWTGYNXOPMFQPZ-TUAOUCFPSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CC(OC)C1 ZINC000884395719 613878111 /nfs/dbraw/zinc/87/81/11/613878111.db2.gz JIZWRWCLHGCALZ-MCIGGMRASA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCCO1 ZINC000884314190 613878117 /nfs/dbraw/zinc/87/81/17/613878117.db2.gz BTCOAHBNAALISM-NEPJUHHUSA-N 1 2 284.356 0.508 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1Cc2ccccc2C1 ZINC000884306930 613878190 /nfs/dbraw/zinc/87/81/90/613878190.db2.gz RNQPTBBVURKMEO-AWEZNQCLSA-N 1 2 288.347 0.717 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C)nn(C)c1C ZINC000884083774 613878372 /nfs/dbraw/zinc/87/83/72/613878372.db2.gz ZHDQRFZCZVJVPQ-LBPRGKRZSA-N 1 2 294.355 0.100 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H](C)CC ZINC000884099473 613878692 /nfs/dbraw/zinc/87/86/92/613878692.db2.gz PGEMXDBVZZSHMO-AXFHLTTASA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000884366717 613878944 /nfs/dbraw/zinc/87/89/44/613878944.db2.gz GVHSZDPGIVLURS-VLEAKVRGSA-N 1 2 252.314 0.348 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000926126364 613885926 /nfs/dbraw/zinc/88/59/26/613885926.db2.gz JHKNGIPTLARQMO-JTQLQIEISA-N 1 2 286.401 0.858 20 30 CCEDLO CC(C)CC(=O)N1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000879758686 613991012 /nfs/dbraw/zinc/99/10/12/613991012.db2.gz XRMUZEKAAYHUSQ-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CC(C)CC(=O)N1CCC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000879758686 613991013 /nfs/dbraw/zinc/99/10/13/613991013.db2.gz XRMUZEKAAYHUSQ-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1CCOCCC#N ZINC000933832434 614041117 /nfs/dbraw/zinc/04/11/17/614041117.db2.gz PPSFJQFIENHWCH-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1CCOCCC#N ZINC000933832434 614041120 /nfs/dbraw/zinc/04/11/20/614041120.db2.gz PPSFJQFIENHWCH-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(CC#N)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868843163 614075585 /nfs/dbraw/zinc/07/55/85/614075585.db2.gz RBNDJBADRYOCRG-ONEGZZNKSA-N 1 2 265.357 0.931 20 30 CCEDLO CCCCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137646723 614419971 /nfs/dbraw/zinc/41/99/71/614419971.db2.gz HPDQRBOCZCDKLU-UHFFFAOYSA-N 1 2 264.329 0.829 20 30 CCEDLO CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000956606012 614719529 /nfs/dbraw/zinc/71/95/29/614719529.db2.gz PCTROHIWBBJQJQ-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CCCNC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811634868 614877058 /nfs/dbraw/zinc/87/70/58/614877058.db2.gz FBCYTJFCFKRQKZ-UHFFFAOYSA-N 1 2 268.390 0.694 20 30 CCEDLO CCN(CC#N)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900361755 614923104 /nfs/dbraw/zinc/92/31/04/614923104.db2.gz VHNZYBFKVZZUFB-ZRDIBKRKSA-N 1 2 251.330 0.637 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399257 615021062 /nfs/dbraw/zinc/02/10/62/615021062.db2.gz SHQNWNWUIHJXHI-UHFFFAOYSA-N 1 2 276.340 0.981 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399257 615021066 /nfs/dbraw/zinc/02/10/66/615021066.db2.gz SHQNWNWUIHJXHI-UHFFFAOYSA-N 1 2 276.340 0.981 20 30 CCEDLO CCOC(=O)C[C@H](O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000863453465 615217516 /nfs/dbraw/zinc/21/75/16/615217516.db2.gz KEIDPNIMUWKIDD-NSHDSACASA-N 1 2 296.323 0.646 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC#N ZINC000875481183 615567333 /nfs/dbraw/zinc/56/73/33/615567333.db2.gz HIYICIPZJFGYFB-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC#N ZINC000875481183 615567334 /nfs/dbraw/zinc/56/73/34/615567334.db2.gz HIYICIPZJFGYFB-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000874709073 615568853 /nfs/dbraw/zinc/56/88/53/615568853.db2.gz WOBPIQPKZYFYDR-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000874709073 615568854 /nfs/dbraw/zinc/56/88/54/615568854.db2.gz WOBPIQPKZYFYDR-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C#N)c1 ZINC000928651482 615719239 /nfs/dbraw/zinc/71/92/39/615719239.db2.gz PXJXXQXOQPGDRL-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cnc(C#N)cn1 ZINC000895804568 615720655 /nfs/dbraw/zinc/72/06/55/615720655.db2.gz KMSVKQMRWLTILR-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000913522253 615860246 /nfs/dbraw/zinc/86/02/46/615860246.db2.gz BOHIGIDGYJYFBC-UHFFFAOYSA-N 1 2 283.335 0.767 20 30 CCEDLO CN(CCC#N)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906399288 616067521 /nfs/dbraw/zinc/06/75/21/616067521.db2.gz UCSDNSZJBCFBOK-UHFFFAOYSA-N 1 2 290.367 0.806 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@@H]1CO ZINC000913555352 616229350 /nfs/dbraw/zinc/22/93/50/616229350.db2.gz ATVPBZLNZOZMJV-LLVKDONJSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@@H]1CO ZINC000913555352 616229351 /nfs/dbraw/zinc/22/93/51/616229351.db2.gz ATVPBZLNZOZMJV-LLVKDONJSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H]1CO ZINC000913558122 616230424 /nfs/dbraw/zinc/23/04/24/616230424.db2.gz JEADMFXQNYZJKM-ZDUSSCGKSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H]1CO ZINC000913558122 616230425 /nfs/dbraw/zinc/23/04/25/616230425.db2.gz JEADMFXQNYZJKM-ZDUSSCGKSA-N 1 2 298.346 0.788 20 30 CCEDLO CN1CCN(C)[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877031116 616238663 /nfs/dbraw/zinc/23/86/63/616238663.db2.gz NCUFMNHVPQQFBI-CYBMUJFWSA-N 1 2 293.802 0.942 20 30 CCEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886158097 616271728 /nfs/dbraw/zinc/27/17/28/616271728.db2.gz RHUQFKCPNDSRHU-NEPJUHHUSA-N 1 2 266.341 0.972 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000932688941 616357510 /nfs/dbraw/zinc/35/75/10/616357510.db2.gz RPTLDFCYKMOGTC-UHFFFAOYSA-N 1 2 297.424 0.814 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000865787877 616367080 /nfs/dbraw/zinc/36/70/80/616367080.db2.gz UNRRCKIYKOJKTB-AWEZNQCLSA-N 1 2 281.356 0.097 20 30 CCEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)O[C@H]2CNOC2)C1 ZINC000882186293 616458461 /nfs/dbraw/zinc/45/84/61/616458461.db2.gz WZCRBTQBHBJXNT-NSHDSACASA-N 1 2 298.364 0.283 20 30 CCEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)O[C@H]2CNOC2)C1 ZINC000882186293 616458466 /nfs/dbraw/zinc/45/84/66/616458466.db2.gz WZCRBTQBHBJXNT-NSHDSACASA-N 1 2 298.364 0.283 20 30 CCEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886158098 616635751 /nfs/dbraw/zinc/63/57/51/616635751.db2.gz RHUQFKCPNDSRHU-NWDGAFQWSA-N 1 2 266.341 0.972 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCO[C@H](C)C#N ZINC000805817121 616710163 /nfs/dbraw/zinc/71/01/63/616710163.db2.gz ZVJZIJJDEOSJAP-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1CCO[C@H](C)C#N ZINC000805817121 616710166 /nfs/dbraw/zinc/71/01/66/616710166.db2.gz ZVJZIJJDEOSJAP-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO COCC(COC)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000902721592 616740521 /nfs/dbraw/zinc/74/05/21/616740521.db2.gz CBJYXRZPZYINJY-UHFFFAOYSA-N 1 2 280.324 0.920 20 30 CCEDLO CNC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810534642 616777348 /nfs/dbraw/zinc/77/73/48/616777348.db2.gz ZBGQQXUSOHQRJA-TVQRCGJNSA-N 1 2 269.320 0.654 20 30 CCEDLO CNC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810534642 616777352 /nfs/dbraw/zinc/77/73/52/616777352.db2.gz ZBGQQXUSOHQRJA-TVQRCGJNSA-N 1 2 269.320 0.654 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H]1CCC2(COC2)O1 ZINC000929774797 616992837 /nfs/dbraw/zinc/99/28/37/616992837.db2.gz FLLOAOGUHFAYDS-GFCCVEGCSA-N 1 2 254.330 0.796 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H]1CCC2(COC2)O1 ZINC000929774797 616992839 /nfs/dbraw/zinc/99/28/39/616992839.db2.gz FLLOAOGUHFAYDS-GFCCVEGCSA-N 1 2 254.330 0.796 20 30 CCEDLO COC[C@H](C)NC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811632217 617077798 /nfs/dbraw/zinc/07/77/98/617077798.db2.gz FZGDJTDRCGKVGX-VIFPVBQESA-N 1 2 298.416 0.319 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308613 625295098 /nfs/dbraw/zinc/29/50/98/625295098.db2.gz JUTXJVXVGZMDSC-IJLUTSLNSA-N 1 2 273.340 0.206 20 30 CCEDLO C#CC[NH2+]C1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001026555647 625472518 /nfs/dbraw/zinc/47/25/18/625472518.db2.gz GZDKUNRFATWQBI-UHFFFAOYSA-N 1 2 264.304 0.813 20 30 CCEDLO N#CCNC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934489120 622724366 /nfs/dbraw/zinc/72/43/66/622724366.db2.gz WNHDLVHQJRLXJV-LBPRGKRZSA-N 1 2 285.351 0.506 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934489120 622724376 /nfs/dbraw/zinc/72/43/76/622724376.db2.gz WNHDLVHQJRLXJV-LBPRGKRZSA-N 1 2 285.351 0.506 20 30 CCEDLO O=C(NCC#CCO)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000923781587 623461733 /nfs/dbraw/zinc/46/17/33/623461733.db2.gz BDOCPMCFCRJEFS-GFCCVEGCSA-N 1 2 262.313 0.225 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001018631733 623699491 /nfs/dbraw/zinc/69/94/91/623699491.db2.gz JSBBEOVGGMVZTK-UWVGGRQHSA-N 1 2 295.774 0.924 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000160620489 624814142 /nfs/dbraw/zinc/81/41/42/624814142.db2.gz OGGMYXUJEHHOOA-UHFFFAOYSA-N 1 2 268.357 0.860 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000160620489 624814143 /nfs/dbraw/zinc/81/41/43/624814143.db2.gz OGGMYXUJEHHOOA-UHFFFAOYSA-N 1 2 268.357 0.860 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711638 624814359 /nfs/dbraw/zinc/81/43/59/624814359.db2.gz ZILXUKVBTXUNOM-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711638 624814360 /nfs/dbraw/zinc/81/43/60/624814360.db2.gz ZILXUKVBTXUNOM-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C ZINC000971221291 624828586 /nfs/dbraw/zinc/82/85/86/624828586.db2.gz NVEVGELTVHUGHB-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C ZINC000971221291 624828587 /nfs/dbraw/zinc/82/85/87/624828587.db2.gz NVEVGELTVHUGHB-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C ZINC000971221278 624828605 /nfs/dbraw/zinc/82/86/05/624828605.db2.gz NVEVGELTVHUGHB-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C ZINC000971221278 624828606 /nfs/dbraw/zinc/82/86/06/624828606.db2.gz NVEVGELTVHUGHB-FZMZJTMJSA-N 1 2 289.383 0.921 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1snnc1C ZINC001027747003 630891859 /nfs/dbraw/zinc/89/18/59/630891859.db2.gz HMFCJWRGKDRYCB-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1snnc1C ZINC001027747003 630891862 /nfs/dbraw/zinc/89/18/62/630891862.db2.gz HMFCJWRGKDRYCB-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981409741 631275324 /nfs/dbraw/zinc/27/53/24/631275324.db2.gz IAKYBWLVFRAIBU-GHMZBOCLSA-N 1 2 261.329 0.493 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC(=O)[C@@H]2C)C1 ZINC000924034624 631424367 /nfs/dbraw/zinc/42/43/67/631424367.db2.gz FBNIXNWMDWKHPD-QWHCGFSZSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC(=O)[C@@H]2C)C1 ZINC000924034624 631424370 /nfs/dbraw/zinc/42/43/70/631424370.db2.gz FBNIXNWMDWKHPD-QWHCGFSZSA-N 1 2 277.368 0.847 20 30 CCEDLO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000967945011 650005936 /nfs/dbraw/zinc/00/59/36/650005936.db2.gz UPNOMKKMZSUFLW-GXSJLCMTSA-N 1 2 262.313 0.833 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178864701 631603303 /nfs/dbraw/zinc/60/33/03/631603303.db2.gz KRDCYOWZXGNCOE-UHFFFAOYSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178864701 631603312 /nfs/dbraw/zinc/60/33/12/631603312.db2.gz KRDCYOWZXGNCOE-UHFFFAOYSA-N 1 2 268.357 0.253 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cc3c(cn2)OCCO3)CCCN1O ZINC000895156576 631987323 /nfs/dbraw/zinc/98/73/23/631987323.db2.gz DFHKRJMGELSKAU-JTQLQIEISA-N 1 2 279.296 0.323 20 30 CCEDLO Cn1cc(C[NH2+][C@H]2CCCN(O)C2=O)c(Cl)n1 ZINC000895158197 631991188 /nfs/dbraw/zinc/99/11/88/631991188.db2.gz XVPDDUJOAULVCC-QMMMGPOBSA-N 1 2 258.709 0.543 20 30 CCEDLO C[C@H](Nc1ccncc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247683 632037577 /nfs/dbraw/zinc/03/75/77/632037577.db2.gz VOLRYDZOBPFSTM-SMDDNHRTSA-N 1 2 259.357 0.421 20 30 CCEDLO C[C@H](Nc1ccncc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000895247683 632037581 /nfs/dbraw/zinc/03/75/81/632037581.db2.gz VOLRYDZOBPFSTM-SMDDNHRTSA-N 1 2 259.357 0.421 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCCN(CC#N)C1 ZINC001007621423 650086493 /nfs/dbraw/zinc/08/64/93/650086493.db2.gz WUMUHPDPENWPHB-ZDUSSCGKSA-N 1 2 288.351 0.737 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008421403 650113640 /nfs/dbraw/zinc/11/36/40/650113640.db2.gz ISSXUKDPXCWBBD-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008421403 650113642 /nfs/dbraw/zinc/11/36/42/650113642.db2.gz ISSXUKDPXCWBBD-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO Cc1nc(Br)c(C=NNC2=[NH+]C[C@@H](C)N2)[nH]1 ZINC000901217336 634210697 /nfs/dbraw/zinc/21/06/97/634210697.db2.gz WRWGUBUFGVDUGT-RXMQYKEDSA-N 1 2 285.149 0.752 20 30 CCEDLO N#Cc1cccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000907382246 635116263 /nfs/dbraw/zinc/11/62/63/635116263.db2.gz FLYPTVXQYXFHET-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661615 650251850 /nfs/dbraw/zinc/25/18/50/650251850.db2.gz AFFDZKLQCAOZMS-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661615 650251853 /nfs/dbraw/zinc/25/18/53/650251853.db2.gz AFFDZKLQCAOZMS-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C#N)CCCC1 ZINC000912614099 636624192 /nfs/dbraw/zinc/62/41/92/636624192.db2.gz KEDHREODRSQEDD-SNVBAGLBSA-N 1 2 262.313 0.654 20 30 CCEDLO O=C(C#Cc1cccs1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454706 636810948 /nfs/dbraw/zinc/81/09/48/636810948.db2.gz YHYGZEHLILVCEE-ZDUSSCGKSA-N 1 2 286.360 0.996 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)ncc1C#N ZINC000913541430 636839495 /nfs/dbraw/zinc/83/94/95/636839495.db2.gz MDVCVPRIKRFROS-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)ncc1C#N ZINC000913541430 636839497 /nfs/dbraw/zinc/83/94/97/636839497.db2.gz MDVCVPRIKRFROS-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1N(CC#N)CC2 ZINC000992449672 637418143 /nfs/dbraw/zinc/41/81/43/637418143.db2.gz SGLGIWLXILONLK-HIFRSBDPSA-N 1 2 287.367 0.897 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993336860 637790773 /nfs/dbraw/zinc/79/07/73/637790773.db2.gz VMWJQAYZNLROTD-ZYHUDNBSSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993336860 637790778 /nfs/dbraw/zinc/79/07/78/637790778.db2.gz VMWJQAYZNLROTD-ZYHUDNBSSA-N 1 2 275.356 0.258 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001015674348 637827880 /nfs/dbraw/zinc/82/78/80/637827880.db2.gz YIHXQJMRDCDJFV-CYBMUJFWSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001015674348 637827884 /nfs/dbraw/zinc/82/78/84/637827884.db2.gz YIHXQJMRDCDJFV-CYBMUJFWSA-N 1 2 291.395 0.812 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993771826 637845943 /nfs/dbraw/zinc/84/59/43/637845943.db2.gz HICIXQYDDXYLGM-GHMZBOCLSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993771826 637845948 /nfs/dbraw/zinc/84/59/48/637845948.db2.gz HICIXQYDDXYLGM-GHMZBOCLSA-N 1 2 278.356 0.894 20 30 CCEDLO N#C[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000921358529 638171536 /nfs/dbraw/zinc/17/15/36/638171536.db2.gz LSKNWOXWLUJQIN-LLVKDONJSA-N 1 2 268.342 0.448 20 30 CCEDLO NC(=NOCCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181744370 638414882 /nfs/dbraw/zinc/41/48/82/638414882.db2.gz VWWPXHFXHHYOSW-ZDUSSCGKSA-N 1 2 279.340 0.169 20 30 CCEDLO NC(=NOCCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181744370 638414887 /nfs/dbraw/zinc/41/48/87/638414887.db2.gz VWWPXHFXHHYOSW-ZDUSSCGKSA-N 1 2 279.340 0.169 20 30 CCEDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942279200 638639889 /nfs/dbraw/zinc/63/98/89/638639889.db2.gz JFZYKMATYSDDNI-GFCCVEGCSA-N 1 2 286.335 0.083 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943755309 638740428 /nfs/dbraw/zinc/74/04/28/638740428.db2.gz BMLHKNKLDZLDDI-MNOVXSKESA-N 1 2 261.329 0.302 20 30 CCEDLO C#CCOCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185396076 638767738 /nfs/dbraw/zinc/76/77/38/638767738.db2.gz YZWMVPFJOVIVGK-UHFFFAOYSA-N 1 2 288.351 0.474 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185985815 638794200 /nfs/dbraw/zinc/79/42/00/638794200.db2.gz ZDOBMSIAJYTJAR-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185985815 638794201 /nfs/dbraw/zinc/79/42/01/638794201.db2.gz ZDOBMSIAJYTJAR-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC000947930776 638878022 /nfs/dbraw/zinc/87/80/22/638878022.db2.gz VDNHKKXUYKQBME-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC000947930778 638878052 /nfs/dbraw/zinc/87/80/52/638878052.db2.gz VDNHKKXUYKQBME-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000998746320 638938574 /nfs/dbraw/zinc/93/85/74/638938574.db2.gz MTPPQNYWNOGZIW-QWRGUYRKSA-N 1 2 291.355 0.872 20 30 CCEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000999293494 638972224 /nfs/dbraw/zinc/97/22/24/638972224.db2.gz UXTWBZCVSLFZGO-UHFFFAOYSA-N 1 2 288.351 0.636 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538551 638984676 /nfs/dbraw/zinc/98/46/76/638984676.db2.gz YHTWQPWMTSZJIF-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001003263587 639523196 /nfs/dbraw/zinc/52/31/96/639523196.db2.gz QOVBDRJUVNAUMU-LBPRGKRZSA-N 1 2 298.408 0.025 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015404238 650563516 /nfs/dbraw/zinc/56/35/16/650563516.db2.gz OYZCAVBXIPEECP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015404238 650563517 /nfs/dbraw/zinc/56/35/17/650563517.db2.gz OYZCAVBXIPEECP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599887 650589053 /nfs/dbraw/zinc/58/90/53/650589053.db2.gz WUJSKBMENFJPDD-GJZGRUSLSA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599887 650589056 /nfs/dbraw/zinc/58/90/56/650589056.db2.gz WUJSKBMENFJPDD-GJZGRUSLSA-N 1 2 293.411 0.309 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015602788 650589947 /nfs/dbraw/zinc/58/99/47/650589947.db2.gz XMGLSNXYVBBIIC-GHMZBOCLSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015602788 650589951 /nfs/dbraw/zinc/58/99/51/650589951.db2.gz XMGLSNXYVBBIIC-GHMZBOCLSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015602792 650590107 /nfs/dbraw/zinc/59/01/07/650590107.db2.gz XMGLSNXYVBBIIC-WDEREUQCSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001015602792 650590110 /nfs/dbraw/zinc/59/01/10/650590110.db2.gz XMGLSNXYVBBIIC-WDEREUQCSA-N 1 2 285.775 0.550 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015621025 650594184 /nfs/dbraw/zinc/59/41/84/650594184.db2.gz QMWSMQBWNBABFC-GHMZBOCLSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015621025 650594188 /nfs/dbraw/zinc/59/41/88/650594188.db2.gz QMWSMQBWNBABFC-GHMZBOCLSA-N 1 2 273.340 0.048 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000801914469 640673230 /nfs/dbraw/zinc/67/32/30/640673230.db2.gz IDYOKTAGOHKROE-CYBMUJFWSA-N 1 2 290.367 0.712 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000801934829 640677946 /nfs/dbraw/zinc/67/79/46/640677946.db2.gz RAYBPYIFIKRQLI-VIFPVBQESA-N 1 2 282.373 0.171 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000804439930 640767951 /nfs/dbraw/zinc/76/79/51/640767951.db2.gz NVCFKPTYTMEWLR-BBRMVZONSA-N 1 2 299.374 0.998 20 30 CCEDLO Cc1[nH]nc(NC(=O)CC[NH+]2CCOCC2)c1C#N ZINC000807394381 640824892 /nfs/dbraw/zinc/82/48/92/640824892.db2.gz LFBJNEBNVMRQOF-UHFFFAOYSA-N 1 2 263.301 0.251 20 30 CCEDLO C[C@@]([NH2+]C[C@H](O)CC#N)(C(N)=O)c1cccc(Cl)c1 ZINC000809576066 640899787 /nfs/dbraw/zinc/89/97/87/640899787.db2.gz HJDWCGOPAZXTHV-YPMHNXCESA-N 1 2 281.743 0.905 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccn12 ZINC000820130985 641464175 /nfs/dbraw/zinc/46/41/75/641464175.db2.gz DRVLXESWPSJOCM-SNVBAGLBSA-N 1 2 274.280 0.363 20 30 CCEDLO O=C(N[C@H]1CCN(O)C1=O)c1cccc2[nH+]ccn21 ZINC000820148787 641473649 /nfs/dbraw/zinc/47/36/49/641473649.db2.gz JROZDUXGFUOJLY-QMMMGPOBSA-N 1 2 260.253 0.054 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)nc1 ZINC001016019773 650675810 /nfs/dbraw/zinc/67/58/10/650675810.db2.gz QEPLSCSPLXUMAC-GFCCVEGCSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)nc1 ZINC001016019773 650675813 /nfs/dbraw/zinc/67/58/13/650675813.db2.gz QEPLSCSPLXUMAC-GFCCVEGCSA-N 1 2 261.300 0.837 20 30 CCEDLO O=C(C#Cc1cccs1)N1CC[NH+](CCO)CC1 ZINC000824783383 641845428 /nfs/dbraw/zinc/84/54/28/641845428.db2.gz KISDUOAROXPZBE-UHFFFAOYSA-N 1 2 264.350 0.236 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016352182 650720979 /nfs/dbraw/zinc/72/09/79/650720979.db2.gz YKHZTURBJAXMDZ-CHWSQXEVSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016352182 650720996 /nfs/dbraw/zinc/72/09/96/650720996.db2.gz YKHZTURBJAXMDZ-CHWSQXEVSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001017396966 650799065 /nfs/dbraw/zinc/79/90/65/650799065.db2.gz ARMKWWUGYSJQKU-OKILXGFUSA-N 1 2 260.337 0.989 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001017396966 650799069 /nfs/dbraw/zinc/79/90/69/650799069.db2.gz ARMKWWUGYSJQKU-OKILXGFUSA-N 1 2 260.337 0.989 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017425162 650801841 /nfs/dbraw/zinc/80/18/41/650801841.db2.gz OCMTTXWKWARSGY-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017425162 650801845 /nfs/dbraw/zinc/80/18/45/650801845.db2.gz OCMTTXWKWARSGY-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C ZINC001017495902 650806556 /nfs/dbraw/zinc/80/65/56/650806556.db2.gz JWLKESPMXTWRMA-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C ZINC001017495902 650806558 /nfs/dbraw/zinc/80/65/58/650806558.db2.gz JWLKESPMXTWRMA-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001017539276 650810005 /nfs/dbraw/zinc/81/00/05/650810005.db2.gz WYVNJMKEHYGINT-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001017539276 650810008 /nfs/dbraw/zinc/81/00/08/650810008.db2.gz WYVNJMKEHYGINT-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1ccccc1=O ZINC001017600710 650812629 /nfs/dbraw/zinc/81/26/29/650812629.db2.gz QJAJVMSOIDDZGH-GASCZTMLSA-N 1 2 299.374 0.547 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1ccccc1=O ZINC001017600710 650812631 /nfs/dbraw/zinc/81/26/31/650812631.db2.gz QJAJVMSOIDDZGH-GASCZTMLSA-N 1 2 299.374 0.547 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001017595538 650813018 /nfs/dbraw/zinc/81/30/18/650813018.db2.gz GCSWWDXTYRPUBB-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001017595538 650813019 /nfs/dbraw/zinc/81/30/19/650813019.db2.gz GCSWWDXTYRPUBB-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454662 643218539 /nfs/dbraw/zinc/21/85/39/643218539.db2.gz UENRHZWZSUSPOV-PHIMTYICSA-N 1 2 282.294 0.839 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454662 643218545 /nfs/dbraw/zinc/21/85/45/643218545.db2.gz UENRHZWZSUSPOV-PHIMTYICSA-N 1 2 282.294 0.839 20 30 CCEDLO CC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000846939995 643471394 /nfs/dbraw/zinc/47/13/94/643471394.db2.gz IIVSFXYZHWTHNO-UHFFFAOYSA-N 1 2 263.341 0.850 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018281898 650850941 /nfs/dbraw/zinc/85/09/41/650850941.db2.gz JJGIBSTTWIBTQN-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018281898 650850943 /nfs/dbraw/zinc/85/09/43/650850943.db2.gz JJGIBSTTWIBTQN-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn(C)nn1 ZINC001018347050 650854268 /nfs/dbraw/zinc/85/42/68/650854268.db2.gz RVMIHTOVQLMBOJ-OKILXGFUSA-N 1 2 287.367 0.056 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn(C)nn1 ZINC001018347050 650854271 /nfs/dbraw/zinc/85/42/71/650854271.db2.gz RVMIHTOVQLMBOJ-OKILXGFUSA-N 1 2 287.367 0.056 20 30 CCEDLO C[C@H]1C[N@H+](CCOC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000850298631 643792968 /nfs/dbraw/zinc/79/29/68/643792968.db2.gz NAJVQDUWZFRCEJ-ZDUSSCGKSA-N 1 2 296.367 0.961 20 30 CCEDLO C[C@H]1C[N@@H+](CCOC(=O)CC2(C#N)CCOCC2)CCO1 ZINC000850298631 643792972 /nfs/dbraw/zinc/79/29/72/643792972.db2.gz NAJVQDUWZFRCEJ-ZDUSSCGKSA-N 1 2 296.367 0.961 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001018633259 650887234 /nfs/dbraw/zinc/88/72/34/650887234.db2.gz VNOIVMJESWVQFL-WPRPVWTQSA-N 1 2 263.301 0.228 20 30 CCEDLO Cn1ncc2c1ncnc2N=NCc1c[nH+]c2n1CCC2 ZINC000853288769 644096196 /nfs/dbraw/zinc/09/61/96/644096196.db2.gz GACNQONLTKFFEG-UHFFFAOYSA-N 1 2 282.311 0.952 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2coc(C#N)c2)[C@@H](C)CO1 ZINC000869244065 645863155 /nfs/dbraw/zinc/86/31/55/645863155.db2.gz UEYHMMGOQQKVFO-QWRGUYRKSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2coc(C#N)c2)[C@@H](C)CO1 ZINC000869244065 645863160 /nfs/dbraw/zinc/86/31/60/645863160.db2.gz UEYHMMGOQQKVFO-QWRGUYRKSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@H](NC(=O)C#Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000124031613 646239986 /nfs/dbraw/zinc/23/99/86/646239986.db2.gz VQCUFGOAUJSZPE-DZGCQCFKSA-N 1 2 272.348 0.873 20 30 CCEDLO C[C@H](NC(=O)C#Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000124031613 646239988 /nfs/dbraw/zinc/23/99/88/646239988.db2.gz VQCUFGOAUJSZPE-DZGCQCFKSA-N 1 2 272.348 0.873 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#CC(C)C ZINC000874711467 646483392 /nfs/dbraw/zinc/48/33/92/646483392.db2.gz PPJVBRZINFMRKW-ZDUSSCGKSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#CC(C)C ZINC000874711467 646483396 /nfs/dbraw/zinc/48/33/96/646483396.db2.gz PPJVBRZINFMRKW-ZDUSSCGKSA-N 1 2 252.358 0.873 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000877749089 646838299 /nfs/dbraw/zinc/83/82/99/646838299.db2.gz FNRVBCUIGYYBCI-OLZOCXBDSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000877749089 646838301 /nfs/dbraw/zinc/83/83/01/646838301.db2.gz FNRVBCUIGYYBCI-OLZOCXBDSA-N 1 2 250.273 0.625 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCNC(=O)CC23CCC3)CCC1 ZINC000880168293 647164710 /nfs/dbraw/zinc/16/47/10/647164710.db2.gz HVCNOVZRSORMRU-UHFFFAOYSA-N 1 2 290.367 0.293 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCNC(=O)CC23CCC3)CCC1 ZINC000880168293 647164713 /nfs/dbraw/zinc/16/47/13/647164713.db2.gz HVCNOVZRSORMRU-UHFFFAOYSA-N 1 2 290.367 0.293 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880487019 647210219 /nfs/dbraw/zinc/21/02/19/647210219.db2.gz GYCXHCCNUKYQQW-ZDUSSCGKSA-N 1 2 257.293 0.729 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880487019 647210228 /nfs/dbraw/zinc/21/02/28/647210228.db2.gz GYCXHCCNUKYQQW-ZDUSSCGKSA-N 1 2 257.293 0.729 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@]23CCOC3)CCC1 ZINC000886188586 647916390 /nfs/dbraw/zinc/91/63/90/647916390.db2.gz VPAKIZITPWOXPM-UKRRQHHQSA-N 1 2 280.368 0.923 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@]23CCOC3)CCC1 ZINC000886188586 647916392 /nfs/dbraw/zinc/91/63/92/647916392.db2.gz VPAKIZITPWOXPM-UKRRQHHQSA-N 1 2 280.368 0.923 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886355773 647969339 /nfs/dbraw/zinc/96/93/39/647969339.db2.gz NMBHEOIJJOXDND-YNEHKIRRSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886355773 647969340 /nfs/dbraw/zinc/96/93/40/647969340.db2.gz NMBHEOIJJOXDND-YNEHKIRRSA-N 1 2 298.408 0.023 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@@H]3C2)nc1 ZINC000886348631 647969833 /nfs/dbraw/zinc/96/98/33/647969833.db2.gz POPUKTLBVPWEBI-TXEJJXNPSA-N 1 2 277.349 0.679 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@@H]3C2)nc1 ZINC000886348631 647969841 /nfs/dbraw/zinc/96/98/41/647969841.db2.gz POPUKTLBVPWEBI-TXEJJXNPSA-N 1 2 277.349 0.679 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000930633475 648884163 /nfs/dbraw/zinc/88/41/63/648884163.db2.gz OAZISDOTUYNFDD-GFCCVEGCSA-N 1 2 264.304 0.617 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631326 649130925 /nfs/dbraw/zinc/13/09/25/649130925.db2.gz JBIAVMHWIDHBOV-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631326 649130929 /nfs/dbraw/zinc/13/09/29/649130929.db2.gz JBIAVMHWIDHBOV-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776404 649143820 /nfs/dbraw/zinc/14/38/20/649143820.db2.gz XNHZJNFYMMOQFE-ZETCQYMHSA-N 1 2 266.326 0.635 20 30 CCEDLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776404 649143824 /nfs/dbraw/zinc/14/38/24/649143824.db2.gz XNHZJNFYMMOQFE-ZETCQYMHSA-N 1 2 266.326 0.635 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(CC#N)[C@@H](C)C1 ZINC000947975140 649357457 /nfs/dbraw/zinc/35/74/57/649357457.db2.gz KLSYQFGHHWDAIS-CMPLNLGQSA-N 1 2 275.356 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1OCC ZINC001017377928 649813939 /nfs/dbraw/zinc/81/39/39/649813939.db2.gz ZYEBFIJKLDXQKJ-CRWXNKLISA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1OCC ZINC001017377928 649813940 /nfs/dbraw/zinc/81/39/40/649813940.db2.gz ZYEBFIJKLDXQKJ-CRWXNKLISA-N 1 2 262.353 0.720 20 30 CCEDLO C=CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165033497 721862931 /nfs/dbraw/zinc/86/29/31/721862931.db2.gz QHEMUAZBIMWEPH-UHFFFAOYSA-N 1 2 279.300 0.701 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1cncc(C#N)n1 ZINC001104225956 790452990 /nfs/dbraw/zinc/45/29/90/790452990.db2.gz GTCZIAOHEPMFMB-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001266315533 790492239 /nfs/dbraw/zinc/49/22/39/790492239.db2.gz XRVUOEPNOCRGFR-NWDGAFQWSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001266315533 790492242 /nfs/dbraw/zinc/49/22/42/790492242.db2.gz XRVUOEPNOCRGFR-NWDGAFQWSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001266315535 790492598 /nfs/dbraw/zinc/49/25/98/790492598.db2.gz XRVUOEPNOCRGFR-VXGBXAGGSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001266315535 790492607 /nfs/dbraw/zinc/49/26/07/790492607.db2.gz XRVUOEPNOCRGFR-VXGBXAGGSA-N 1 2 279.384 0.525 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230650997 805641549 /nfs/dbraw/zinc/64/15/49/805641549.db2.gz JRYQXNUBBPSGNM-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230650997 805641554 /nfs/dbraw/zinc/64/15/54/805641554.db2.gz JRYQXNUBBPSGNM-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001266596341 791002240 /nfs/dbraw/zinc/00/22/40/791002240.db2.gz BADQLUVXRNPYRV-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001266596341 791002251 /nfs/dbraw/zinc/00/22/51/791002251.db2.gz BADQLUVXRNPYRV-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230676859 805644622 /nfs/dbraw/zinc/64/46/22/805644622.db2.gz UECSWJIDPXPDAT-CYBMUJFWSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230676859 805644627 /nfs/dbraw/zinc/64/46/27/805644627.db2.gz UECSWJIDPXPDAT-CYBMUJFWSA-N 1 2 277.368 0.235 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC001230947289 805695595 /nfs/dbraw/zinc/69/55/95/805695595.db2.gz AZQKZROMJSNCEO-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC001230947289 805695600 /nfs/dbraw/zinc/69/56/00/805695600.db2.gz AZQKZROMJSNCEO-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231121313 805735831 /nfs/dbraw/zinc/73/58/31/805735831.db2.gz BQFGACJFRAZUCN-CYBMUJFWSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231121313 805735835 /nfs/dbraw/zinc/73/58/35/805735835.db2.gz BQFGACJFRAZUCN-CYBMUJFWSA-N 1 2 277.368 0.235 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231132599 805736910 /nfs/dbraw/zinc/73/69/10/805736910.db2.gz UXEFQTVQHHFZNQ-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231132599 805736919 /nfs/dbraw/zinc/73/69/19/805736919.db2.gz UXEFQTVQHHFZNQ-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001231234782 805757917 /nfs/dbraw/zinc/75/79/17/805757917.db2.gz WGPLPBVDVOTKBO-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001231234782 805757921 /nfs/dbraw/zinc/75/79/21/805757921.db2.gz WGPLPBVDVOTKBO-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO N#Cc1ccnc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001232477154 805945159 /nfs/dbraw/zinc/94/51/59/805945159.db2.gz KPJKQEOKEYHMPI-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1ccnc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001232477154 805945165 /nfs/dbraw/zinc/94/51/65/805945165.db2.gz KPJKQEOKEYHMPI-AWEZNQCLSA-N 1 2 258.325 0.470 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001038216916 791263888 /nfs/dbraw/zinc/26/38/88/791263888.db2.gz MZMLSKWTLDOYLJ-OTTFEQOBSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001038216916 791263895 /nfs/dbraw/zinc/26/38/95/791263895.db2.gz MZMLSKWTLDOYLJ-OTTFEQOBSA-N 1 2 250.342 0.361 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233386121 806053332 /nfs/dbraw/zinc/05/33/32/806053332.db2.gz GZLIJAKFKWBWQO-LBPRGKRZSA-N 1 2 280.349 0.883 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001266932127 791365343 /nfs/dbraw/zinc/36/53/43/791365343.db2.gz FMWVYMLFBZBTRO-BXKDBHETSA-N 1 2 284.385 0.460 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001266932128 791366139 /nfs/dbraw/zinc/36/61/39/791366139.db2.gz FMWVYMLFBZBTRO-CABZTGNLSA-N 1 2 284.385 0.460 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001266932130 791366287 /nfs/dbraw/zinc/36/62/87/791366287.db2.gz FMWVYMLFBZBTRO-SKDRFNHKSA-N 1 2 284.385 0.460 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001233488185 806063124 /nfs/dbraw/zinc/06/31/24/806063124.db2.gz DIQHPDDYOAOAOW-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001233488185 806063134 /nfs/dbraw/zinc/06/31/34/806063134.db2.gz DIQHPDDYOAOAOW-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccs3)[C@H]2C1 ZINC001083231911 791444324 /nfs/dbraw/zinc/44/43/24/791444324.db2.gz YIFCRWHSOMFBQI-WDEREUQCSA-N 1 2 279.365 0.854 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccs3)[C@H]2C1 ZINC001083231911 791444328 /nfs/dbraw/zinc/44/43/28/791444328.db2.gz YIFCRWHSOMFBQI-WDEREUQCSA-N 1 2 279.365 0.854 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549044 806080636 /nfs/dbraw/zinc/08/06/36/806080636.db2.gz JWAFFGNLCVYNFC-MVXISAMASA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549044 806080646 /nfs/dbraw/zinc/08/06/46/806080646.db2.gz JWAFFGNLCVYNFC-MVXISAMASA-N 1 2 277.368 0.235 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC1(C)C ZINC001267193074 791652627 /nfs/dbraw/zinc/65/26/27/791652627.db2.gz XGGZQLXRGLFXSY-LLVKDONJSA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC1(C)C ZINC001267193074 791652633 /nfs/dbraw/zinc/65/26/33/791652633.db2.gz XGGZQLXRGLFXSY-LLVKDONJSA-N 1 2 267.373 0.383 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC=C ZINC001233957721 806156402 /nfs/dbraw/zinc/15/64/02/806156402.db2.gz NCPJDFMZSIORIJ-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC=C ZINC001233957721 806156405 /nfs/dbraw/zinc/15/64/05/806156405.db2.gz NCPJDFMZSIORIJ-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001233948539 806156528 /nfs/dbraw/zinc/15/65/28/806156528.db2.gz XWAAIHGEIWCXEJ-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001233948539 806156531 /nfs/dbraw/zinc/15/65/31/806156531.db2.gz XWAAIHGEIWCXEJ-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001233965912 806158950 /nfs/dbraw/zinc/15/89/50/806158950.db2.gz GNVNGOGERUCPNW-AWEZNQCLSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001233965912 806158955 /nfs/dbraw/zinc/15/89/55/806158955.db2.gz GNVNGOGERUCPNW-AWEZNQCLSA-N 1 2 291.395 0.601 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234089694 806182321 /nfs/dbraw/zinc/18/23/21/806182321.db2.gz VTIIHRQYGULAHO-LBPRGKRZSA-N 1 2 276.340 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234089694 806182323 /nfs/dbraw/zinc/18/23/23/806182323.db2.gz VTIIHRQYGULAHO-LBPRGKRZSA-N 1 2 276.340 0.206 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186970 806197722 /nfs/dbraw/zinc/19/77/22/806197722.db2.gz QWYQIVSXYVXGIJ-DGCLKSJQSA-N 1 2 277.368 0.067 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186970 806197726 /nfs/dbraw/zinc/19/77/26/806197726.db2.gz QWYQIVSXYVXGIJ-DGCLKSJQSA-N 1 2 277.368 0.067 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194495 806202369 /nfs/dbraw/zinc/20/23/69/806202369.db2.gz DMMCBVJOWKQHHZ-ZDUSSCGKSA-N 1 2 293.411 0.657 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194495 806202374 /nfs/dbraw/zinc/20/23/74/806202374.db2.gz DMMCBVJOWKQHHZ-ZDUSSCGKSA-N 1 2 293.411 0.657 20 30 CCEDLO COCc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001234878352 806310228 /nfs/dbraw/zinc/31/02/28/806310228.db2.gz ZQFJFVOPJNNFIO-PINQPDRWSA-N 1 2 295.314 0.753 20 30 CCEDLO COCc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001234878352 806310238 /nfs/dbraw/zinc/31/02/38/806310238.db2.gz ZQFJFVOPJNNFIO-PINQPDRWSA-N 1 2 295.314 0.753 20 30 CCEDLO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1=O ZINC001120596508 798882017 /nfs/dbraw/zinc/88/20/17/798882017.db2.gz HJDAONASGPMVLH-GHMZBOCLSA-N 1 2 262.313 0.555 20 30 CCEDLO CCc1n[nH]cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001237659870 806707304 /nfs/dbraw/zinc/70/73/04/806707304.db2.gz RDVCKFVHDUAJLC-UHFFFAOYSA-N 1 2 297.366 0.956 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001121278996 799025241 /nfs/dbraw/zinc/02/52/41/799025241.db2.gz OPQILHVQBJPRKU-WDMOLILDSA-N 1 2 277.372 0.185 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001121278996 799025250 /nfs/dbraw/zinc/02/52/50/799025250.db2.gz OPQILHVQBJPRKU-WDMOLILDSA-N 1 2 277.372 0.185 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123787857 799474902 /nfs/dbraw/zinc/47/49/02/799474902.db2.gz WQPIZFOLRQIEHA-UHFFFAOYSA-N 1 2 268.342 0.446 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1=O ZINC001123871799 799491056 /nfs/dbraw/zinc/49/10/56/799491056.db2.gz PKXKJAZFNQOJAE-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO Cc1nc(NC[C@@H](O)CN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001124304584 799591226 /nfs/dbraw/zinc/59/12/26/799591226.db2.gz KQVRMIWVMYHZMG-CYBMUJFWSA-N 1 2 290.367 0.676 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001124488766 799608949 /nfs/dbraw/zinc/60/89/49/799608949.db2.gz UFYHPKXMZSTXBA-NSHDSACASA-N 1 2 296.371 0.819 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001124764766 799633578 /nfs/dbraw/zinc/63/35/78/799633578.db2.gz CCESBZTWWSJPAD-UHFFFAOYSA-N 1 2 267.329 0.645 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124902935 799645891 /nfs/dbraw/zinc/64/58/91/799645891.db2.gz NWFVLPRVXFMDFU-JGVFFNPUSA-N 1 2 251.290 0.305 20 30 CCEDLO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001124988319 799650156 /nfs/dbraw/zinc/65/01/56/799650156.db2.gz IRGSLZXQBAFUQW-CMPLNLGQSA-N 1 2 291.355 0.200 20 30 CCEDLO N#CCN1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053668 800314236 /nfs/dbraw/zinc/31/42/36/800314236.db2.gz LPJBIHXPGBSXEE-CYBMUJFWSA-N 1 2 291.355 0.004 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001150084732 800316547 /nfs/dbraw/zinc/31/65/47/800316547.db2.gz GGMTVFPCJKZSNY-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001150084732 800316553 /nfs/dbraw/zinc/31/65/53/800316553.db2.gz GGMTVFPCJKZSNY-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3c2COCC3)CC1 ZINC001152002383 800479653 /nfs/dbraw/zinc/47/96/53/800479653.db2.gz IBLCKCBWEUCFKC-UHFFFAOYSA-N 1 2 276.340 0.426 20 30 CCEDLO N#CCNCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152186932 800499531 /nfs/dbraw/zinc/49/95/31/800499531.db2.gz YGEUXCUNMLWEOK-UHFFFAOYSA-N 1 2 278.381 0.336 20 30 CCEDLO N#CCNCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152186932 800499532 /nfs/dbraw/zinc/49/95/32/800499532.db2.gz YGEUXCUNMLWEOK-UHFFFAOYSA-N 1 2 278.381 0.336 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CCS(C)(=O)=O ZINC001152352627 800512052 /nfs/dbraw/zinc/51/20/52/800512052.db2.gz IYPFZUOZRILRLT-GFCCVEGCSA-N 1 2 290.429 0.824 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCS(C)(=O)=O ZINC001152352627 800512054 /nfs/dbraw/zinc/51/20/54/800512054.db2.gz IYPFZUOZRILRLT-GFCCVEGCSA-N 1 2 290.429 0.824 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152971013 800575833 /nfs/dbraw/zinc/57/58/33/800575833.db2.gz HKLITEYNEIMBEP-VIFPVBQESA-N 1 2 255.281 0.500 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]CC(=O)NC)CCCCC1 ZINC001153004920 800580043 /nfs/dbraw/zinc/58/00/43/800580043.db2.gz RLRDVVUJOGHDHX-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001153148860 800601961 /nfs/dbraw/zinc/60/19/61/800601961.db2.gz NAOUDEYSIODILY-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)CSCC#N)no1 ZINC001154814441 800850373 /nfs/dbraw/zinc/85/03/73/800850373.db2.gz JCHPDQQORKPNOZ-SECBINFHSA-N 1 2 297.384 0.792 20 30 CCEDLO CCc1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155828914 801059604 /nfs/dbraw/zinc/05/96/04/801059604.db2.gz TXIQEHJRCUOXJV-VIFPVBQESA-N 1 2 265.317 0.388 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C#N)c(C)n2)C[NH2+]1 ZINC001156249093 801140451 /nfs/dbraw/zinc/14/04/51/801140451.db2.gz YKVHFTBVACRRDV-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO Cc1noc(-c2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2)n1 ZINC001156327840 801150716 /nfs/dbraw/zinc/15/07/16/801150716.db2.gz OQDHSUKKZNROQU-NSHDSACASA-N 1 2 270.296 0.742 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975518 801276919 /nfs/dbraw/zinc/27/69/19/801276919.db2.gz OBIQSAZTWVODRK-UHFFFAOYSA-N 1 2 288.307 0.994 20 30 CCEDLO Cc1ncc(C#N)c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157655769 801448186 /nfs/dbraw/zinc/44/81/86/801448186.db2.gz QRRACPIWFPPYQZ-UHFFFAOYSA-N 1 2 273.340 0.355 20 30 CCEDLO COc1ccnc(NC(=[NH2+])N2CCN(C)CC2)c1C#N ZINC001157914336 801518703 /nfs/dbraw/zinc/51/87/03/801518703.db2.gz BWPOJDBAMWQDLN-UHFFFAOYSA-N 1 2 274.328 0.556 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc3[nH]cc(C#N)c32)C[NH2+]1 ZINC001158251991 801604461 /nfs/dbraw/zinc/60/44/61/801604461.db2.gz YZCBCFDXDANUGZ-BDAKNGLRSA-N 1 2 286.295 0.145 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC001158254879 801605226 /nfs/dbraw/zinc/60/52/26/801605226.db2.gz WTOKTMVAHKJZLS-SCZZXKLOSA-N 1 2 291.267 0.177 20 30 CCEDLO C#CCCN1CCC[C@@H](Nc2cc(N(C)C)nc[nH+]2)C1=O ZINC001160892551 802043568 /nfs/dbraw/zinc/04/35/68/802043568.db2.gz XNOWUXLZUGRMFM-GFCCVEGCSA-N 1 2 287.367 0.969 20 30 CCEDLO C#CCCN1CCC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1=O ZINC001160892551 802043573 /nfs/dbraw/zinc/04/35/73/802043573.db2.gz XNOWUXLZUGRMFM-GFCCVEGCSA-N 1 2 287.367 0.969 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH2+]C3(CC3)C2)c(O)c1 ZINC001161556377 802180520 /nfs/dbraw/zinc/18/05/20/802180520.db2.gz NUYNQAJUUMDMQX-UHFFFAOYSA-N 1 2 257.293 0.842 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(C#N)cc(Cl)n1 ZINC001161946388 802253306 /nfs/dbraw/zinc/25/33/06/802253306.db2.gz XFAHYKSQXOZGSX-MRVPVSSYSA-N 1 2 268.704 0.909 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C#N)cc1F ZINC001161950705 802256372 /nfs/dbraw/zinc/25/63/72/802256372.db2.gz YURFLIKPDAEIHM-SECBINFHSA-N 1 2 252.249 0.395 20 30 CCEDLO N#CCNCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427523 802338660 /nfs/dbraw/zinc/33/86/60/802338660.db2.gz KGMNUJSDXTUDRU-UHFFFAOYSA-N 1 2 257.297 0.567 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@](O)(CC#N)C1 ZINC001163163669 802499823 /nfs/dbraw/zinc/49/98/23/802499823.db2.gz WPDWZTQSIFWJIF-ZDUSSCGKSA-N 1 2 262.313 0.230 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)C(F)F ZINC001259962502 808825511 /nfs/dbraw/zinc/82/55/11/808825511.db2.gz LXMOYPLYMWRBGO-QMMMGPOBSA-N 1 2 254.302 0.779 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C(F)F ZINC001259962502 808825516 /nfs/dbraw/zinc/82/55/16/808825516.db2.gz LXMOYPLYMWRBGO-QMMMGPOBSA-N 1 2 254.302 0.779 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc(C#N)cn2)cn1 ZINC001163412383 802553852 /nfs/dbraw/zinc/55/38/52/802553852.db2.gz PSATYGINBCCOHI-LBPRGKRZSA-N 1 2 285.307 0.572 20 30 CCEDLO C[C@@H](CC(=O)N(C)C[C@H]1CCN1CC#N)n1cc[nH+]c1 ZINC001264372479 809644356 /nfs/dbraw/zinc/64/43/56/809644356.db2.gz GFZQJXVZNCKSGB-QWHCGFSZSA-N 1 2 275.356 0.890 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001264366855 809644364 /nfs/dbraw/zinc/64/43/64/809644364.db2.gz MVWWSMVHESNVBM-GHMZBOCLSA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001264366855 809644368 /nfs/dbraw/zinc/64/43/68/809644368.db2.gz MVWWSMVHESNVBM-GHMZBOCLSA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001264366857 809645225 /nfs/dbraw/zinc/64/52/25/809645225.db2.gz MVWWSMVHESNVBM-QWRGUYRKSA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001264366857 809645229 /nfs/dbraw/zinc/64/52/29/809645229.db2.gz MVWWSMVHESNVBM-QWRGUYRKSA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001163948253 802639118 /nfs/dbraw/zinc/63/91/18/802639118.db2.gz BSNWCGOZYYJRBO-UHFFFAOYSA-N 1 2 266.349 0.018 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001264714583 809675534 /nfs/dbraw/zinc/67/55/34/809675534.db2.gz YTSGILAUQMCBSJ-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001264714583 809675541 /nfs/dbraw/zinc/67/55/41/809675541.db2.gz YTSGILAUQMCBSJ-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO Cc1ccc(CC#N)c(N2CCS(=O)(=O)CC2)[nH+]1 ZINC001165365826 802829201 /nfs/dbraw/zinc/82/92/01/802829201.db2.gz DOQVFUZQFNISBO-UHFFFAOYSA-N 1 2 265.338 0.691 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C/C)C2)nn1 ZINC001105207388 811862686 /nfs/dbraw/zinc/86/26/86/811862686.db2.gz REKDPPMOYOQJHO-LFYBBSHMSA-N 1 2 287.367 0.741 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001267925380 811872396 /nfs/dbraw/zinc/87/23/96/811872396.db2.gz ONRZRQHGKMKLFE-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001267925380 811872402 /nfs/dbraw/zinc/87/24/02/811872402.db2.gz ONRZRQHGKMKLFE-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001268299621 812460166 /nfs/dbraw/zinc/46/01/66/812460166.db2.gz JLYQBPUTHCWBHF-KRWDZBQOSA-N 1 2 298.386 0.804 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1CCn2ccnc21 ZINC001204937408 803110064 /nfs/dbraw/zinc/11/00/64/803110064.db2.gz IXAMPUYTDKIVGD-JTQLQIEISA-N 1 2 255.343 0.518 20 30 CCEDLO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)nc1 ZINC001206513378 803256502 /nfs/dbraw/zinc/25/65/02/803256502.db2.gz FWXPBLBTKWCKTL-NSHDSACASA-N 1 2 279.296 0.338 20 30 CCEDLO CC1=C(OCCCN2CC[NH+](C)CC2)C(=O)[C@H](C)O1 ZINC001206589877 803271907 /nfs/dbraw/zinc/27/19/07/803271907.db2.gz HKLGQEDVYCLHKE-NSHDSACASA-N 1 2 268.357 0.860 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CNCC#N)CC1 ZINC001206872373 803294910 /nfs/dbraw/zinc/29/49/10/803294910.db2.gz AQGZTFSLJIOAHF-UHFFFAOYSA-N 1 2 275.356 0.314 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001206876880 803297004 /nfs/dbraw/zinc/29/70/04/803297004.db2.gz OOTYKLVULKRTII-GRYCIOLGSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001206876880 803297012 /nfs/dbraw/zinc/29/70/12/803297012.db2.gz OOTYKLVULKRTII-GRYCIOLGSA-N 1 2 292.383 0.109 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206958097 803317918 /nfs/dbraw/zinc/31/79/18/803317918.db2.gz ZOQKZUOZABAJBA-TZMCWYRMSA-N 1 2 291.351 0.651 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206958097 803317923 /nfs/dbraw/zinc/31/79/23/803317923.db2.gz ZOQKZUOZABAJBA-TZMCWYRMSA-N 1 2 291.351 0.651 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC001207110460 803355281 /nfs/dbraw/zinc/35/52/81/803355281.db2.gz NNJYNHVSMFMKOS-LLVKDONJSA-N 1 2 260.341 0.949 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC001207110460 803355289 /nfs/dbraw/zinc/35/52/89/803355289.db2.gz NNJYNHVSMFMKOS-LLVKDONJSA-N 1 2 260.341 0.949 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001208360084 803509016 /nfs/dbraw/zinc/50/90/16/803509016.db2.gz FXDPLULMGZQRDJ-BZPMIXESSA-N 1 2 297.374 0.166 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001208360084 803509019 /nfs/dbraw/zinc/50/90/19/803509019.db2.gz FXDPLULMGZQRDJ-BZPMIXESSA-N 1 2 297.374 0.166 20 30 CCEDLO CC(=O)N=C1C=C[N@@H+](c2ccc(C#N)cc2N)C=C1N ZINC001213349507 803691452 /nfs/dbraw/zinc/69/14/52/803691452.db2.gz BFWORXNGFHNOJO-UHFFFAOYSA-N 1 2 267.292 0.961 20 30 CCEDLO CC(=O)N=C1C=C[N@H+](c2ccc(C#N)cc2N)C=C1N ZINC001213349507 803691455 /nfs/dbraw/zinc/69/14/55/803691455.db2.gz BFWORXNGFHNOJO-UHFFFAOYSA-N 1 2 267.292 0.961 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001272092736 814971394 /nfs/dbraw/zinc/97/13/94/814971394.db2.gz IKWVWMBJZIAKNE-NEPJUHHUSA-N 1 2 298.362 0.155 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001272092736 814971400 /nfs/dbraw/zinc/97/14/00/814971400.db2.gz IKWVWMBJZIAKNE-NEPJUHHUSA-N 1 2 298.362 0.155 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCC=C)[C@H](OC)C1 ZINC001211992867 814967632 /nfs/dbraw/zinc/96/76/32/814967632.db2.gz ZGLVWBQHXYKMJE-BFHYXJOUSA-N 1 2 280.368 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCC=C)[C@H](OC)C1 ZINC001211992867 814967637 /nfs/dbraw/zinc/96/76/37/814967637.db2.gz ZGLVWBQHXYKMJE-BFHYXJOUSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211997382 814970525 /nfs/dbraw/zinc/97/05/25/814970525.db2.gz SMAMGSPBCPKZOQ-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211997382 814970528 /nfs/dbraw/zinc/97/05/28/814970528.db2.gz SMAMGSPBCPKZOQ-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C1O[C@@H](C)C(=O)C1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218292175 803947045 /nfs/dbraw/zinc/94/70/45/803947045.db2.gz WFVRMCAYDMYTFX-UFBFGSQYSA-N 1 2 290.319 0.640 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101804361 814979277 /nfs/dbraw/zinc/97/92/77/814979277.db2.gz SHFHHQJIVSAKDL-VXGBXAGGSA-N 1 2 292.387 0.360 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101804361 814979281 /nfs/dbraw/zinc/97/92/81/814979281.db2.gz SHFHHQJIVSAKDL-VXGBXAGGSA-N 1 2 292.387 0.360 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC(C)C)OC)[C@H]2C1 ZINC001218610959 804033673 /nfs/dbraw/zinc/03/36/73/804033673.db2.gz ZMPCXICYFLEXKG-RRFJBIMHSA-N 1 2 294.395 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC(C)C)OC)[C@H]2C1 ZINC001218610959 804033681 /nfs/dbraw/zinc/03/36/81/804033681.db2.gz ZMPCXICYFLEXKG-RRFJBIMHSA-N 1 2 294.395 0.592 20 30 CCEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2COCC[NH2+]2)c1F ZINC001218914207 804155939 /nfs/dbraw/zinc/15/59/39/804155939.db2.gz TYGAFIWPGUBWHM-JTQLQIEISA-N 1 2 267.235 0.763 20 30 CCEDLO CC(=O)Nc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1C#N ZINC001218915611 804156741 /nfs/dbraw/zinc/15/67/41/804156741.db2.gz QWZLYTUZYAGEBW-ZDUSSCGKSA-N 1 2 288.307 0.444 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219332802 804275526 /nfs/dbraw/zinc/27/55/26/804275526.db2.gz IGWLTHHYLIIPDL-KGLIPLIRSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219332802 804275537 /nfs/dbraw/zinc/27/55/37/804275537.db2.gz IGWLTHHYLIIPDL-KGLIPLIRSA-N 1 2 293.367 0.919 20 30 CCEDLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219379812 804291883 /nfs/dbraw/zinc/29/18/83/804291883.db2.gz ZPOQQPLHRHEXIO-IEBDPFPHSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219379812 804291891 /nfs/dbraw/zinc/29/18/91/804291891.db2.gz ZPOQQPLHRHEXIO-IEBDPFPHSA-N 1 2 294.380 0.273 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001219590171 804363896 /nfs/dbraw/zinc/36/38/96/804363896.db2.gz ZKZXRVQVOCKSFQ-CABCVRRESA-N 1 2 285.347 0.156 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001219590171 804363905 /nfs/dbraw/zinc/36/39/05/804363905.db2.gz ZKZXRVQVOCKSFQ-CABCVRRESA-N 1 2 285.347 0.156 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667543 804399658 /nfs/dbraw/zinc/39/96/58/804399658.db2.gz BSGZSWWPSUNVNS-HRDYMLBCSA-N 1 2 284.253 0.624 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219667543 804399664 /nfs/dbraw/zinc/39/96/64/804399664.db2.gz BSGZSWWPSUNVNS-HRDYMLBCSA-N 1 2 284.253 0.624 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863098 804433751 /nfs/dbraw/zinc/43/37/51/804433751.db2.gz YFQRZDRBVHHKAM-CFVMTHIKSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863098 804433757 /nfs/dbraw/zinc/43/37/57/804433757.db2.gz YFQRZDRBVHHKAM-CFVMTHIKSA-N 1 2 294.395 0.234 20 30 CCEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221536174 804829893 /nfs/dbraw/zinc/82/98/93/804829893.db2.gz BFISBRYJRQTDGV-VXGBXAGGSA-N 1 2 277.368 0.054 20 30 CCEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221536174 804829903 /nfs/dbraw/zinc/82/99/03/804829903.db2.gz BFISBRYJRQTDGV-VXGBXAGGSA-N 1 2 277.368 0.054 20 30 CCEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221573401 804830817 /nfs/dbraw/zinc/83/08/17/804830817.db2.gz FHEWXJRWALCAKL-ZIAGYGMSSA-N 1 2 291.395 0.773 20 30 CCEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221573401 804830826 /nfs/dbraw/zinc/83/08/26/804830826.db2.gz FHEWXJRWALCAKL-ZIAGYGMSSA-N 1 2 291.395 0.773 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221754195 804842408 /nfs/dbraw/zinc/84/24/08/804842408.db2.gz CXGXQJYUZNQCDF-CHWSQXEVSA-N 1 2 277.368 0.198 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221754195 804842415 /nfs/dbraw/zinc/84/24/15/804842415.db2.gz CXGXQJYUZNQCDF-CHWSQXEVSA-N 1 2 277.368 0.198 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001276874932 804961235 /nfs/dbraw/zinc/96/12/35/804961235.db2.gz IMETUIGGRRKDSU-ZDUSSCGKSA-N 1 2 261.300 0.587 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001276874932 804961241 /nfs/dbraw/zinc/96/12/41/804961241.db2.gz IMETUIGGRRKDSU-ZDUSSCGKSA-N 1 2 261.300 0.587 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001276891811 804973525 /nfs/dbraw/zinc/97/35/25/804973525.db2.gz MNZFYTAVZAEMSN-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001276891811 804973527 /nfs/dbraw/zinc/97/35/27/804973527.db2.gz MNZFYTAVZAEMSN-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCN1CC#N ZINC001276939104 805002768 /nfs/dbraw/zinc/00/27/68/805002768.db2.gz CZWOCEMJXKWVPI-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCN1CC#N ZINC001276939104 805002780 /nfs/dbraw/zinc/00/27/80/805002780.db2.gz CZWOCEMJXKWVPI-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCN1CC#N ZINC001276939105 805003191 /nfs/dbraw/zinc/00/31/91/805003191.db2.gz CZWOCEMJXKWVPI-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCN1CC#N ZINC001276939105 805003202 /nfs/dbraw/zinc/00/32/02/805003202.db2.gz CZWOCEMJXKWVPI-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCC1CCN(CC#N)CC1 ZINC001225168064 805112072 /nfs/dbraw/zinc/11/20/72/805112072.db2.gz LNZVODGHJUTBNR-UHFFFAOYSA-N 1 2 275.356 0.314 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225499919 805136232 /nfs/dbraw/zinc/13/62/32/805136232.db2.gz PLLOHILMLZBNAK-KLLCGCCRSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225499919 805136234 /nfs/dbraw/zinc/13/62/34/805136234.db2.gz PLLOHILMLZBNAK-KLLCGCCRSA-N 1 2 257.293 0.944 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1CC#N ZINC001088678305 815056714 /nfs/dbraw/zinc/05/67/14/815056714.db2.gz OTHQRAWELKSMMI-UPJWGTAASA-N 1 2 287.367 0.548 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225593699 805143671 /nfs/dbraw/zinc/14/36/71/805143671.db2.gz WERKEUNSGPQNJO-ZQLNZSQWSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225593699 805143678 /nfs/dbraw/zinc/14/36/78/805143678.db2.gz WERKEUNSGPQNJO-ZQLNZSQWSA-N 1 2 277.280 0.981 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001226589051 805252388 /nfs/dbraw/zinc/25/23/88/805252388.db2.gz HZPXXKJGDJYXHF-UHFFFAOYSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCNC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001277171910 805303093 /nfs/dbraw/zinc/30/30/93/805303093.db2.gz BZOJCUHRRWYYOB-QWHCGFSZSA-N 1 2 283.372 0.509 20 30 CCEDLO C=CCNC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001277171910 805303103 /nfs/dbraw/zinc/30/31/03/805303103.db2.gz BZOJCUHRRWYYOB-QWHCGFSZSA-N 1 2 283.372 0.509 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC001088717502 815114882 /nfs/dbraw/zinc/11/48/82/815114882.db2.gz XMXAIFKXACLPCW-UTUOFQBUSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC001088717502 815114886 /nfs/dbraw/zinc/11/48/86/815114886.db2.gz XMXAIFKXACLPCW-UTUOFQBUSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1C ZINC001088717503 815114938 /nfs/dbraw/zinc/11/49/38/815114938.db2.gz XMXAIFKXACLPCW-WOPDTQHZSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1C ZINC001088717503 815114941 /nfs/dbraw/zinc/11/49/41/815114941.db2.gz XMXAIFKXACLPCW-WOPDTQHZSA-N 1 2 286.397 0.186 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075966982 815130299 /nfs/dbraw/zinc/13/02/99/815130299.db2.gz APOHQMVESLRZCL-KCQAQPDRSA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1nc(Cl)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251003628 807635324 /nfs/dbraw/zinc/63/53/24/807635324.db2.gz NOUSKZNZMZEAFZ-JTQLQIEISA-N 1 2 296.758 0.712 20 30 CCEDLO C#CCOC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001251832558 807714128 /nfs/dbraw/zinc/71/41/28/807714128.db2.gz MOIZPYKMMBWYMF-ZYHUDNBSSA-N 1 2 250.298 0.558 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001251885119 807733952 /nfs/dbraw/zinc/73/39/52/807733952.db2.gz OCPMGEUXSHMRLD-NSHDSACASA-N 1 2 255.314 0.073 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001252471457 807880541 /nfs/dbraw/zinc/88/05/41/807880541.db2.gz XXZOCTBDNSHTLO-GFCCVEGCSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001252471457 807880552 /nfs/dbraw/zinc/88/05/52/807880552.db2.gz XXZOCTBDNSHTLO-GFCCVEGCSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]Cc1[nH]ncc1C(=O)OCC ZINC001252497870 807895960 /nfs/dbraw/zinc/89/59/60/807895960.db2.gz AONQTJREWFUKTD-SNVBAGLBSA-N 1 2 283.328 0.240 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]Cc1n[nH]cc1C(=O)OCC ZINC001252497870 807895965 /nfs/dbraw/zinc/89/59/65/807895965.db2.gz AONQTJREWFUKTD-SNVBAGLBSA-N 1 2 283.328 0.240 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252556389 807909663 /nfs/dbraw/zinc/90/96/63/807909663.db2.gz CXSDEXYBWILUSO-CQSZACIVSA-N 1 2 279.340 0.882 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252556389 807909667 /nfs/dbraw/zinc/90/96/67/807909667.db2.gz CXSDEXYBWILUSO-CQSZACIVSA-N 1 2 279.340 0.882 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC001252579922 807914363 /nfs/dbraw/zinc/91/43/63/807914363.db2.gz ZKBUXUXCJKITEK-TZMCWYRMSA-N 1 2 271.357 0.871 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252603535 807918932 /nfs/dbraw/zinc/91/89/32/807918932.db2.gz ZEUGFFHIYNGCAS-CQSZACIVSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252603535 807918935 /nfs/dbraw/zinc/91/89/35/807918935.db2.gz ZEUGFFHIYNGCAS-CQSZACIVSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253570817 808081219 /nfs/dbraw/zinc/08/12/19/808081219.db2.gz BLJUYRLRNVTSOF-JHJVBQTASA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253570817 808081224 /nfs/dbraw/zinc/08/12/24/808081224.db2.gz BLJUYRLRNVTSOF-JHJVBQTASA-N 1 2 298.383 0.853 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nccn2C)C1 ZINC001278765628 808194004 /nfs/dbraw/zinc/19/40/04/808194004.db2.gz BJPFMITWJGFDNY-OAHLLOKOSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2nccn2C)C1 ZINC001278765628 808194011 /nfs/dbraw/zinc/19/40/11/808194011.db2.gz BJPFMITWJGFDNY-OAHLLOKOSA-N 1 2 292.383 0.439 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001278857884 808344935 /nfs/dbraw/zinc/34/49/35/808344935.db2.gz ULQXGJQOIKMITC-NSHDSACASA-N 1 2 250.342 0.219 20 30 CCEDLO Cc1nc(CC(=O)NCC[NH2+]Cc2ccccc2C#N)n[nH]1 ZINC001126912340 815229472 /nfs/dbraw/zinc/22/94/72/815229472.db2.gz KFHFNNMGLYZPHX-UHFFFAOYSA-N 1 2 298.350 0.433 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nncs1 ZINC001126915925 815231340 /nfs/dbraw/zinc/23/13/40/815231340.db2.gz KVEYSCQTQCQIGU-UHFFFAOYSA-N 1 2 266.370 0.793 20 30 CCEDLO CC[C@H](C)S(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001260752105 808883156 /nfs/dbraw/zinc/88/31/56/808883156.db2.gz LHPZKZNBLQUJNM-JTQLQIEISA-N 1 2 259.375 0.692 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001262199674 809238570 /nfs/dbraw/zinc/23/85/70/809238570.db2.gz VWOQOOQHTHBQPH-STQMWFEESA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001262199674 809238576 /nfs/dbraw/zinc/23/85/76/809238576.db2.gz VWOQOOQHTHBQPH-STQMWFEESA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCn1nnnc1N1CCc2c([nH+]cn2CC)C1 ZINC001262210367 809244361 /nfs/dbraw/zinc/24/43/61/809244361.db2.gz UHQXMGXSMRJXLR-UHFFFAOYSA-N 1 2 259.317 0.638 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@]1(C#N)CCSC1 ZINC001263722825 809557573 /nfs/dbraw/zinc/55/75/73/809557573.db2.gz HGTVJDRDTMOGIG-LBPRGKRZSA-N 1 2 264.354 0.868 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265205688 809723443 /nfs/dbraw/zinc/72/34/43/809723443.db2.gz LZBNKCNBHURLEG-QWGHSUKYSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265205688 809723447 /nfs/dbraw/zinc/72/34/47/809723447.db2.gz LZBNKCNBHURLEG-QWGHSUKYSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)(C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265256179 809730662 /nfs/dbraw/zinc/73/06/62/809730662.db2.gz OPRWOONWIXKKGG-UHFFFAOYSA-N 1 2 266.389 0.680 20 30 CCEDLO C#CCCCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265262641 809734630 /nfs/dbraw/zinc/73/46/30/809734630.db2.gz GAPVGYCHDFLLOZ-UHFFFAOYSA-N 1 2 290.411 0.827 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265284740 809747049 /nfs/dbraw/zinc/74/70/49/809747049.db2.gz VCCLHLKUGGVXNK-OLZOCXBDSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265284740 809747053 /nfs/dbraw/zinc/74/70/53/809747053.db2.gz VCCLHLKUGGVXNK-OLZOCXBDSA-N 1 2 290.367 0.149 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000702034648 809869137 /nfs/dbraw/zinc/86/91/37/809869137.db2.gz OLXPXFBOXYJDII-LLVKDONJSA-N 1 2 287.385 0.025 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001280413160 810017239 /nfs/dbraw/zinc/01/72/39/810017239.db2.gz XFWMTYPUAJKJFT-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001280413160 810017245 /nfs/dbraw/zinc/01/72/45/810017245.db2.gz XFWMTYPUAJKJFT-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001280415382 810018001 /nfs/dbraw/zinc/01/80/01/810018001.db2.gz JWAHRKURRYHBRE-ZIAGYGMSSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001280415382 810018004 /nfs/dbraw/zinc/01/80/04/810018004.db2.gz JWAHRKURRYHBRE-ZIAGYGMSSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001076729152 815355777 /nfs/dbraw/zinc/35/57/77/815355777.db2.gz KFQMXWVVOSOZLK-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001076729152 815355782 /nfs/dbraw/zinc/35/57/82/815355782.db2.gz KFQMXWVVOSOZLK-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001076911772 815413547 /nfs/dbraw/zinc/41/35/47/815413547.db2.gz BEPHUGVDAXLVAC-ZYHUDNBSSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001076911772 815413551 /nfs/dbraw/zinc/41/35/51/815413551.db2.gz BEPHUGVDAXLVAC-ZYHUDNBSSA-N 1 2 277.324 0.035 20 30 CCEDLO N#CCN(CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001267328122 811161051 /nfs/dbraw/zinc/16/10/51/811161051.db2.gz LKQIQJAIUFPVEX-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001267366847 811221450 /nfs/dbraw/zinc/22/14/50/811221450.db2.gz LIWQMZDELIXLLF-GFCCVEGCSA-N 1 2 284.385 0.413 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111482446 811241750 /nfs/dbraw/zinc/24/17/50/811241750.db2.gz KHUHWFYHYABJOH-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111482446 811241755 /nfs/dbraw/zinc/24/17/55/811241755.db2.gz KHUHWFYHYABJOH-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001077029094 815434768 /nfs/dbraw/zinc/43/47/68/815434768.db2.gz RLSAVUMXMZWORC-XLWJZTARSA-N 1 2 274.364 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001077029094 815434769 /nfs/dbraw/zinc/43/47/69/815434769.db2.gz RLSAVUMXMZWORC-XLWJZTARSA-N 1 2 274.364 0.383 20 30 CCEDLO C#CCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279327625 811278426 /nfs/dbraw/zinc/27/84/26/811278426.db2.gz GVZPAJYPZWYEPU-UHFFFAOYSA-N 1 2 279.365 0.557 20 30 CCEDLO CC(C)N(CC#N)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267511012 811387698 /nfs/dbraw/zinc/38/76/98/811387698.db2.gz FFFAWABGMJJJQZ-UHFFFAOYSA-N 1 2 263.345 0.692 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001077106053 815447337 /nfs/dbraw/zinc/44/73/37/815447337.db2.gz WCQOVYXAAFQGCL-HZPDHXFCSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001077106053 815447338 /nfs/dbraw/zinc/44/73/38/815447338.db2.gz WCQOVYXAAFQGCL-HZPDHXFCSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001267624949 811584723 /nfs/dbraw/zinc/58/47/23/811584723.db2.gz RIZBYWWEOKXDJV-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001267624949 811584728 /nfs/dbraw/zinc/58/47/28/811584728.db2.gz RIZBYWWEOKXDJV-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001267632189 811591373 /nfs/dbraw/zinc/59/13/73/811591373.db2.gz RRQCMFYTIWDKDW-HZSPNIEDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001267632189 811591378 /nfs/dbraw/zinc/59/13/78/811591378.db2.gz RRQCMFYTIWDKDW-HZSPNIEDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001267720002 811686043 /nfs/dbraw/zinc/68/60/43/811686043.db2.gz WCNPNJWOCLTRSE-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001267720002 811686046 /nfs/dbraw/zinc/68/60/46/811686046.db2.gz WCNPNJWOCLTRSE-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001077287323 815471917 /nfs/dbraw/zinc/47/19/17/815471917.db2.gz UKRCVNAOLZYAAL-VXGBXAGGSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001077287323 815471921 /nfs/dbraw/zinc/47/19/21/815471921.db2.gz UKRCVNAOLZYAAL-VXGBXAGGSA-N 1 2 290.367 0.115 20 30 CCEDLO Cn1nccc1C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267930815 811874139 /nfs/dbraw/zinc/87/41/39/811874139.db2.gz AUILVLGLRWMAKT-CQSZACIVSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1nccc1C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267930815 811874146 /nfs/dbraw/zinc/87/41/46/811874146.db2.gz AUILVLGLRWMAKT-CQSZACIVSA-N 1 2 286.379 0.914 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3CC)C2)nn1 ZINC001105330152 811926094 /nfs/dbraw/zinc/92/60/94/811926094.db2.gz RJFVQWUEZKFOSG-BXUZGUMPSA-N 1 2 287.367 0.430 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@@H](O)C1 ZINC001083576679 815496238 /nfs/dbraw/zinc/49/62/38/815496238.db2.gz KZWGXLIYZZQDPM-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@@H](O)C1 ZINC001083576679 815496239 /nfs/dbraw/zinc/49/62/39/815496239.db2.gz KZWGXLIYZZQDPM-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001058854184 812205728 /nfs/dbraw/zinc/20/57/28/812205728.db2.gz YUMWKBGJSZMCNM-KOLCDFICSA-N 1 2 259.313 0.958 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001126333723 812365449 /nfs/dbraw/zinc/36/54/49/812365449.db2.gz MYPYMWRFCGQNRN-UHFFFAOYSA-N 1 2 252.343 0.547 20 30 CCEDLO CC(C)C#CC(=O)NC1C[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001268298706 812459302 /nfs/dbraw/zinc/45/93/02/812459302.db2.gz CLXFUJMVMQADMA-OAHLLOKOSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001075619743 812473874 /nfs/dbraw/zinc/47/38/74/812473874.db2.gz NIJJRMMEDVWMDF-WCQYABFASA-N 1 2 258.325 0.498 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001075619743 812473879 /nfs/dbraw/zinc/47/38/79/812473879.db2.gz NIJJRMMEDVWMDF-WCQYABFASA-N 1 2 258.325 0.498 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001028259313 812523982 /nfs/dbraw/zinc/52/39/82/812523982.db2.gz CBCUNFYBCVBZMY-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001028259313 812523985 /nfs/dbraw/zinc/52/39/85/812523985.db2.gz CBCUNFYBCVBZMY-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CCOCCN1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001268432608 812565820 /nfs/dbraw/zinc/56/58/20/812565820.db2.gz DUDPFTUSXXCAJY-UHFFFAOYSA-N 1 2 278.356 0.276 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(CC)CC[NH2+]Cc1nnc(C)o1 ZINC001268447835 812575465 /nfs/dbraw/zinc/57/54/65/812575465.db2.gz HYCRWQMVMGDYJO-CQSZACIVSA-N 1 2 296.371 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)[C@@H](O)C1 ZINC001083616365 815551412 /nfs/dbraw/zinc/55/14/12/815551412.db2.gz KUROPGNJMUPLNS-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)[C@@H](O)C1 ZINC001083616365 815551416 /nfs/dbraw/zinc/55/14/16/815551416.db2.gz KUROPGNJMUPLNS-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@@H](O)C1 ZINC001083395820 812936874 /nfs/dbraw/zinc/93/68/74/812936874.db2.gz JTLPXSOQNKXBCU-OLZOCXBDSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@@H](O)C1 ZINC001083395820 812936877 /nfs/dbraw/zinc/93/68/77/812936877.db2.gz JTLPXSOQNKXBCU-OLZOCXBDSA-N 1 2 273.336 0.188 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605321 812966860 /nfs/dbraw/zinc/96/68/60/812966860.db2.gz RGVSSHPZYLYUEY-IJLUTSLNSA-N 1 2 273.340 0.475 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605321 812966868 /nfs/dbraw/zinc/96/68/68/812966868.db2.gz RGVSSHPZYLYUEY-IJLUTSLNSA-N 1 2 273.340 0.475 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269159600 813244793 /nfs/dbraw/zinc/24/47/93/813244793.db2.gz NLQBJKNMDFWPKH-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269159600 813244798 /nfs/dbraw/zinc/24/47/98/813244798.db2.gz NLQBJKNMDFWPKH-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269159658 813245706 /nfs/dbraw/zinc/24/57/06/813245706.db2.gz PZOSVDYIZMYIAS-GHMZBOCLSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269159658 813245709 /nfs/dbraw/zinc/24/57/09/813245709.db2.gz PZOSVDYIZMYIAS-GHMZBOCLSA-N 1 2 253.346 0.265 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001269214899 813270937 /nfs/dbraw/zinc/27/09/37/813270937.db2.gz MCZPMTBCWDRSJZ-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001269214899 813270943 /nfs/dbraw/zinc/27/09/43/813270943.db2.gz MCZPMTBCWDRSJZ-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO C=CCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000711137228 813340751 /nfs/dbraw/zinc/34/07/51/813340751.db2.gz IYDGKBKCUFQNMQ-UHFFFAOYSA-N 1 2 250.389 0.141 20 30 CCEDLO N#CCSCC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001269379380 813348677 /nfs/dbraw/zinc/34/86/77/813348677.db2.gz ITZMKJCZYVPPAQ-UHFFFAOYSA-N 1 2 280.353 0.670 20 30 CCEDLO C=CCN1CC[C@@]2(CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001269568995 813424802 /nfs/dbraw/zinc/42/48/02/813424802.db2.gz JBHOOJRREUTEFW-HNNXBMFYSA-N 1 2 288.351 0.732 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001270629914 813856197 /nfs/dbraw/zinc/85/61/97/813856197.db2.gz VNRUUGIHVPIPRP-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001270629914 813856206 /nfs/dbraw/zinc/85/62/06/813856206.db2.gz VNRUUGIHVPIPRP-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001083407653 813899610 /nfs/dbraw/zinc/89/96/10/813899610.db2.gz YSYXQICXMLGZFV-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001083407653 813899617 /nfs/dbraw/zinc/89/96/17/813899617.db2.gz YSYXQICXMLGZFV-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnn1C ZINC001029245636 814014609 /nfs/dbraw/zinc/01/46/09/814014609.db2.gz YPUCYJHTQPGYDB-BNOWGMLFSA-N 1 2 287.367 0.755 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnn1C ZINC001029245636 814014615 /nfs/dbraw/zinc/01/46/15/814014615.db2.gz YPUCYJHTQPGYDB-BNOWGMLFSA-N 1 2 287.367 0.755 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001059283502 814064577 /nfs/dbraw/zinc/06/45/77/814064577.db2.gz FVJDVEACVCAOIX-MGCOHNPYSA-N 1 2 297.322 0.373 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)C1 ZINC001029464974 814278180 /nfs/dbraw/zinc/27/81/80/814278180.db2.gz LJCNILVKTXAVES-BETUJISGSA-N 1 2 291.395 0.764 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)C1 ZINC001029464974 814278187 /nfs/dbraw/zinc/27/81/87/814278187.db2.gz LJCNILVKTXAVES-BETUJISGSA-N 1 2 291.395 0.764 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001271351148 814387708 /nfs/dbraw/zinc/38/77/08/814387708.db2.gz VTEIZLCRGBZBFN-AAEUAGOBSA-N 1 2 270.373 0.132 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001271351151 814388343 /nfs/dbraw/zinc/38/83/43/814388343.db2.gz VTEIZLCRGBZBFN-DGCLKSJQSA-N 1 2 270.373 0.132 20 30 CCEDLO C=CCCCN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271387788 814399108 /nfs/dbraw/zinc/39/91/08/814399108.db2.gz DMGCLIWYFQDKAX-UHFFFAOYSA-N 1 2 292.383 0.321 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029678830 814534752 /nfs/dbraw/zinc/53/47/52/814534752.db2.gz TWZGJMMMHXHMSL-RYUDHWBXSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029678830 814534758 /nfs/dbraw/zinc/53/47/58/814534758.db2.gz TWZGJMMMHXHMSL-RYUDHWBXSA-N 1 2 290.371 0.255 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(F)(F)F ZINC001271977107 814660332 /nfs/dbraw/zinc/66/03/32/814660332.db2.gz JGUZWFILNNMNMP-UHFFFAOYSA-N 1 2 295.305 0.631 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(F)(F)F ZINC001271977107 814660336 /nfs/dbraw/zinc/66/03/36/814660336.db2.gz JGUZWFILNNMNMP-UHFFFAOYSA-N 1 2 295.305 0.631 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001059697526 814729880 /nfs/dbraw/zinc/72/98/80/814729880.db2.gz ONTNEMZYKVZJPR-TXEJJXNPSA-N 1 2 296.334 0.978 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088482296 814730616 /nfs/dbraw/zinc/73/06/16/814730616.db2.gz YQXJLOWUTVIPNI-ZJUUUORDSA-N 1 2 264.354 0.754 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088482296 814730618 /nfs/dbraw/zinc/73/06/18/814730618.db2.gz YQXJLOWUTVIPNI-ZJUUUORDSA-N 1 2 264.354 0.754 20 30 CCEDLO C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC001030225975 815910010 /nfs/dbraw/zinc/91/00/10/815910010.db2.gz LGVKNKUADITEST-GWCFXTLKSA-N 1 2 288.351 0.868 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001030428123 816033705 /nfs/dbraw/zinc/03/37/05/816033705.db2.gz OOTJGNLXYRHYEK-AAEUAGOBSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CCn1cccc1C(=O)NC1C[NH+](CCOC)C1 ZINC001030446272 816042597 /nfs/dbraw/zinc/04/25/97/816042597.db2.gz BMQOJJIBKYOOBP-UHFFFAOYSA-N 1 2 263.341 0.735 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3n2CCC3)C1 ZINC001030462693 816049337 /nfs/dbraw/zinc/04/93/37/816049337.db2.gz LYRJGNGQJIICSW-UHFFFAOYSA-N 1 2 260.341 0.819 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001030488724 816060950 /nfs/dbraw/zinc/06/09/50/816060950.db2.gz MVVXYVXZHKOWCD-UHFFFAOYSA-N 1 2 282.294 0.586 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001030505939 816075944 /nfs/dbraw/zinc/07/59/44/816075944.db2.gz XYXBJZMODGJTSD-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001030554008 816105740 /nfs/dbraw/zinc/10/57/40/816105740.db2.gz HUJJKUWWCQKNHL-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nc(C)cc2C)C1 ZINC001030642439 816178141 /nfs/dbraw/zinc/17/81/41/816178141.db2.gz XEEGXGOOOWTMQY-UHFFFAOYSA-N 1 2 262.357 0.876 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939379 816186082 /nfs/dbraw/zinc/18/60/82/816186082.db2.gz MWAWFDVXHCTKJC-CABCVRRESA-N 1 2 277.412 0.931 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001030748571 816262765 /nfs/dbraw/zinc/26/27/65/816262765.db2.gz BDPKLZQIAHZFKU-LLVKDONJSA-N 1 2 288.351 0.351 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001030765878 816276395 /nfs/dbraw/zinc/27/63/95/816276395.db2.gz OHYQHBLOJKLKGS-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001030858174 816353919 /nfs/dbraw/zinc/35/39/19/816353919.db2.gz SSJAWYOLWOAFMV-LBPRGKRZSA-N 1 2 299.365 0.787 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H](C)OC)C2)c1 ZINC001030928036 816448012 /nfs/dbraw/zinc/44/80/12/816448012.db2.gz FJPNGNWUIXYOGS-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568335 816587591 /nfs/dbraw/zinc/58/75/91/816587591.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568335 816587594 /nfs/dbraw/zinc/58/75/94/816587594.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568335 816587595 /nfs/dbraw/zinc/58/75/95/816587595.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568335 816587598 /nfs/dbraw/zinc/58/75/98/816587598.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568335 816587602 /nfs/dbraw/zinc/58/76/02/816587602.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568335 816587605 /nfs/dbraw/zinc/58/76/05/816587605.db2.gz DBOWLUJQCFTTKX-CQSZACIVSA-N 1 2 288.355 0.533 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nnnc2C(C)C)C1 ZINC001031073412 816627042 /nfs/dbraw/zinc/62/70/42/816627042.db2.gz XPRAGVWNCNVVTM-UHFFFAOYSA-N 1 2 278.360 0.173 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001031092201 816637739 /nfs/dbraw/zinc/63/77/39/816637739.db2.gz WPONRFMBXJEGGM-HNNXBMFYSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046568362 816638907 /nfs/dbraw/zinc/63/89/07/816638907.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046568362 816638914 /nfs/dbraw/zinc/63/89/14/816638914.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]ncc2Br)C1 ZINC001031116334 816659393 /nfs/dbraw/zinc/65/93/93/816659393.db2.gz MGZJCGBEKQOYLY-UHFFFAOYSA-N 1 2 297.156 0.610 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(N)=O ZINC001099203586 816691599 /nfs/dbraw/zinc/69/15/99/816691599.db2.gz NZXKGGNZADRHSU-JTQLQIEISA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(N)=O ZINC001099203586 816691602 /nfs/dbraw/zinc/69/16/02/816691602.db2.gz NZXKGGNZADRHSU-JTQLQIEISA-N 1 2 287.791 0.831 20 30 CCEDLO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426075 816768395 /nfs/dbraw/zinc/76/83/95/816768395.db2.gz BHDPNMCLOUDLJW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCN1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001031195168 816780194 /nfs/dbraw/zinc/78/01/94/816780194.db2.gz WIHZZBPLENWNDF-UHFFFAOYSA-N 1 2 280.331 0.920 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@@H](O)C1 ZINC001083730030 816784696 /nfs/dbraw/zinc/78/46/96/816784696.db2.gz LZVOTMBIWGZITR-KFWWJZLASA-N 1 2 288.322 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@@H](O)C1 ZINC001083730030 816784703 /nfs/dbraw/zinc/78/47/03/816784703.db2.gz LZVOTMBIWGZITR-KFWWJZLASA-N 1 2 288.322 0.260 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnn(CC)c2)C1 ZINC001031238908 816873380 /nfs/dbraw/zinc/87/33/80/816873380.db2.gz VAPPNYAWJRNMAK-UHFFFAOYSA-N 1 2 260.341 0.269 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001031247839 816882670 /nfs/dbraw/zinc/88/26/70/816882670.db2.gz WXCZEPYMBYNRAJ-LLVKDONJSA-N 1 2 274.368 0.891 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCF)C2)nc1 ZINC001031278597 816923892 /nfs/dbraw/zinc/92/38/92/816923892.db2.gz RZRHTTMTXFWALW-UHFFFAOYSA-N 1 2 261.300 0.837 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001031421828 817043299 /nfs/dbraw/zinc/04/32/99/817043299.db2.gz CYTKOBMNZLHYQB-UHFFFAOYSA-N 1 2 273.336 0.841 20 30 CCEDLO N#CCSCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001123792078 817066478 /nfs/dbraw/zinc/06/64/78/817066478.db2.gz HJJIAJVZKZUYFK-UHFFFAOYSA-N 1 2 295.368 0.410 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001031494509 817083704 /nfs/dbraw/zinc/08/37/04/817083704.db2.gz WWMUXQUTCJEPSQ-ZDUSSCGKSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001031494508 817083981 /nfs/dbraw/zinc/08/39/81/817083981.db2.gz WWMUXQUTCJEPSQ-CYBMUJFWSA-N 1 2 262.353 0.627 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031527647 817110311 /nfs/dbraw/zinc/11/03/11/817110311.db2.gz HIIZCCOICIYJBR-UHFFFAOYSA-N 1 2 272.732 0.675 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](O)C1 ZINC001083758318 817118548 /nfs/dbraw/zinc/11/85/48/817118548.db2.gz VLUAEVXTRMRXPX-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](O)C1 ZINC001083758318 817118554 /nfs/dbraw/zinc/11/85/54/817118554.db2.gz VLUAEVXTRMRXPX-OLZOCXBDSA-N 1 2 277.324 0.035 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](O)C1 ZINC001083766056 817330650 /nfs/dbraw/zinc/33/06/50/817330650.db2.gz KGOLFKDRSYUQMH-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](O)C1 ZINC001083766056 817330655 /nfs/dbraw/zinc/33/06/55/817330655.db2.gz KGOLFKDRSYUQMH-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO Cc1nc(NC[C@@H](O)CN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001124282892 817383036 /nfs/dbraw/zinc/38/30/36/817383036.db2.gz BXOAJWLUMMJOGT-CYBMUJFWSA-N 1 2 288.351 0.430 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001038592352 817398070 /nfs/dbraw/zinc/39/80/70/817398070.db2.gz JUQQRICTSBMNCA-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001038592352 817398077 /nfs/dbraw/zinc/39/80/77/817398077.db2.gz JUQQRICTSBMNCA-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124888895 817614570 /nfs/dbraw/zinc/61/45/70/817614570.db2.gz MUISIUZFGNCUFC-VIFPVBQESA-N 1 2 250.302 0.602 20 30 CCEDLO CCO[C@@H](C)c1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124902214 817624777 /nfs/dbraw/zinc/62/47/77/817624777.db2.gz HKXCBGQVIMJXTF-ZJUUUORDSA-N 1 2 295.343 0.533 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]n1 ZINC001032290177 817786422 /nfs/dbraw/zinc/78/64/22/817786422.db2.gz NCVYOZFECHQNHA-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]n1 ZINC001032290177 817786430 /nfs/dbraw/zinc/78/64/30/817786430.db2.gz NCVYOZFECHQNHA-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C ZINC001032308179 817832719 /nfs/dbraw/zinc/83/27/19/817832719.db2.gz DSSSKOUWWJKQMS-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C ZINC001032308179 817832723 /nfs/dbraw/zinc/83/27/23/817832723.db2.gz DSSSKOUWWJKQMS-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719747 817964278 /nfs/dbraw/zinc/96/42/78/817964278.db2.gz HGFDTMUUSSHNGO-ZFWWWQNUSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719747 817964285 /nfs/dbraw/zinc/96/42/85/817964285.db2.gz HGFDTMUUSSHNGO-ZFWWWQNUSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001077675793 817980972 /nfs/dbraw/zinc/98/09/72/817980972.db2.gz YSOPJCVPSYDTEA-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001077675793 817980975 /nfs/dbraw/zinc/98/09/75/817980975.db2.gz YSOPJCVPSYDTEA-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107795218 818014618 /nfs/dbraw/zinc/01/46/18/818014618.db2.gz LCVYOPYQGMTEHL-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107795218 818014623 /nfs/dbraw/zinc/01/46/23/818014623.db2.gz LCVYOPYQGMTEHL-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)[C@@H](O)C1 ZINC001083815980 818195152 /nfs/dbraw/zinc/19/51/52/818195152.db2.gz YJOKFKJZIXOSTN-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)[C@@H](O)C1 ZINC001083815980 818195157 /nfs/dbraw/zinc/19/51/57/818195157.db2.gz YJOKFKJZIXOSTN-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006353 818263161 /nfs/dbraw/zinc/26/31/61/818263161.db2.gz KTFZTYZDGKYBKL-YPMHNXCESA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006353 818263166 /nfs/dbraw/zinc/26/31/66/818263166.db2.gz KTFZTYZDGKYBKL-YPMHNXCESA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090014489 818272388 /nfs/dbraw/zinc/27/23/88/818272388.db2.gz RXWMTPDDJUUWNZ-STQMWFEESA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001090014489 818272394 /nfs/dbraw/zinc/27/23/94/818272394.db2.gz RXWMTPDDJUUWNZ-STQMWFEESA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033038208 818451200 /nfs/dbraw/zinc/45/12/00/818451200.db2.gz OWWRFURQWADTIL-JTQLQIEISA-N 1 2 299.758 0.877 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033038208 818451205 /nfs/dbraw/zinc/45/12/05/818451205.db2.gz OWWRFURQWADTIL-JTQLQIEISA-N 1 2 299.758 0.877 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090089930 818491401 /nfs/dbraw/zinc/49/14/01/818491401.db2.gz BRGCBAKVMIVBDT-WDEREUQCSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001090089930 818491397 /nfs/dbraw/zinc/49/13/97/818491397.db2.gz BRGCBAKVMIVBDT-WDEREUQCSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001033219441 818658969 /nfs/dbraw/zinc/65/89/69/818658969.db2.gz BHDHDZOKHSVACF-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001033219441 818658976 /nfs/dbraw/zinc/65/89/76/818658976.db2.gz BHDHDZOKHSVACF-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001033388785 818756315 /nfs/dbraw/zinc/75/63/15/818756315.db2.gz DXHOZBVQJYSGHY-CYBMUJFWSA-N 1 2 279.384 0.751 20 30 CCEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001033388785 818756324 /nfs/dbraw/zinc/75/63/24/818756324.db2.gz DXHOZBVQJYSGHY-CYBMUJFWSA-N 1 2 279.384 0.751 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001033483627 818795355 /nfs/dbraw/zinc/79/53/55/818795355.db2.gz LBWUJKVTLRRAMG-GFCCVEGCSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033483627 818795359 /nfs/dbraw/zinc/79/53/59/818795359.db2.gz LBWUJKVTLRRAMG-GFCCVEGCSA-N 1 2 295.362 0.970 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033664010 818873842 /nfs/dbraw/zinc/87/38/42/818873842.db2.gz BGERNDSNZSDMAG-ZDUSSCGKSA-N 1 2 260.341 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033664010 818873847 /nfs/dbraw/zinc/87/38/47/818873847.db2.gz BGERNDSNZSDMAG-ZDUSSCGKSA-N 1 2 260.341 0.357 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001033673826 818878501 /nfs/dbraw/zinc/87/85/01/818878501.db2.gz GJRAROTYLGZJAP-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001033673826 818878510 /nfs/dbraw/zinc/87/85/10/818878510.db2.gz GJRAROTYLGZJAP-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2CS(=O)(=O)C2)C1 ZINC001033845565 818966593 /nfs/dbraw/zinc/96/65/93/818966593.db2.gz GSSIJOGMKRNQPT-LBPRGKRZSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CS(=O)(=O)C2)C1 ZINC001033845565 818966600 /nfs/dbraw/zinc/96/66/00/818966600.db2.gz GSSIJOGMKRNQPT-LBPRGKRZSA-N 1 2 286.397 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@@H](n2ccnn2)C1 ZINC001128877997 819119325 /nfs/dbraw/zinc/11/93/25/819119325.db2.gz LOOVBIAGXWIWNA-JUPNIWIKSA-N 1 2 273.340 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@@H](n2ccnn2)C1 ZINC001128877997 819119328 /nfs/dbraw/zinc/11/93/28/819119328.db2.gz LOOVBIAGXWIWNA-JUPNIWIKSA-N 1 2 273.340 0.219 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207666 819173194 /nfs/dbraw/zinc/17/31/94/819173194.db2.gz XJXXQUGJSYPZHY-PWSUYJOCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 ZINC001090207666 819173197 /nfs/dbraw/zinc/17/31/97/819173197.db2.gz XJXXQUGJSYPZHY-PWSUYJOCSA-N 1 2 299.758 0.901 20 30 CCEDLO N#CCN1CCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001034458198 819212837 /nfs/dbraw/zinc/21/28/37/819212837.db2.gz LOXCNCBCILNTOJ-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108141863 819289707 /nfs/dbraw/zinc/28/97/07/819289707.db2.gz GBIPELFLUBKGIW-JLNYLFASSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108141863 819289712 /nfs/dbraw/zinc/28/97/12/819289712.db2.gz GBIPELFLUBKGIW-JLNYLFASSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035295182 819439818 /nfs/dbraw/zinc/43/98/18/819439818.db2.gz UVMSFYXZZVHSRG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035295182 819439821 /nfs/dbraw/zinc/43/98/21/819439821.db2.gz UVMSFYXZZVHSRG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035305673 819457130 /nfs/dbraw/zinc/45/71/30/819457130.db2.gz CQQRUOJSQGSNMO-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035305673 819457132 /nfs/dbraw/zinc/45/71/32/819457132.db2.gz CQQRUOJSQGSNMO-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035304948 819457777 /nfs/dbraw/zinc/45/77/77/819457777.db2.gz GSXVNZXIGDBRIS-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035304948 819457782 /nfs/dbraw/zinc/45/77/82/819457782.db2.gz GSXVNZXIGDBRIS-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035326141 819472323 /nfs/dbraw/zinc/47/23/23/819472323.db2.gz BEKQSLIPWLRBEX-CYBMUJFWSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035326141 819472330 /nfs/dbraw/zinc/47/23/30/819472330.db2.gz BEKQSLIPWLRBEX-CYBMUJFWSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351282 819494969 /nfs/dbraw/zinc/49/49/69/819494969.db2.gz BKLNMAMXOYZGGD-RUXDESIVSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351282 819494975 /nfs/dbraw/zinc/49/49/75/819494975.db2.gz BKLNMAMXOYZGGD-RUXDESIVSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001035357519 819496975 /nfs/dbraw/zinc/49/69/75/819496975.db2.gz DIGULNRNCXQTAG-DCAQKATOSA-N 1 2 274.311 0.891 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001035357519 819496978 /nfs/dbraw/zinc/49/69/78/819496978.db2.gz DIGULNRNCXQTAG-DCAQKATOSA-N 1 2 274.311 0.891 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428229 819513244 /nfs/dbraw/zinc/51/32/44/819513244.db2.gz YBSKJQBLSJJXHK-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428229 819513248 /nfs/dbraw/zinc/51/32/48/819513248.db2.gz YBSKJQBLSJJXHK-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035512590 819544431 /nfs/dbraw/zinc/54/44/31/819544431.db2.gz MHZPNBMUFJDZBU-FRRDWIJNSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035512590 819544436 /nfs/dbraw/zinc/54/44/36/819544436.db2.gz MHZPNBMUFJDZBU-FRRDWIJNSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001035522964 819555234 /nfs/dbraw/zinc/55/52/34/819555234.db2.gz MTSRGKSNIZEOFY-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001035522964 819555241 /nfs/dbraw/zinc/55/52/41/819555241.db2.gz MTSRGKSNIZEOFY-AWEZNQCLSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035533945 819559061 /nfs/dbraw/zinc/55/90/61/819559061.db2.gz RHFYWYDMMARBPU-VXGBXAGGSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035533945 819559066 /nfs/dbraw/zinc/55/90/66/819559066.db2.gz RHFYWYDMMARBPU-VXGBXAGGSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035550037 819564777 /nfs/dbraw/zinc/56/47/77/819564777.db2.gz JGMSJSZAPOCIES-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035550037 819564782 /nfs/dbraw/zinc/56/47/82/819564782.db2.gz JGMSJSZAPOCIES-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001035591319 819578845 /nfs/dbraw/zinc/57/88/45/819578845.db2.gz UVAIBMYMYDQWPK-NSHDSACASA-N 1 2 289.339 0.279 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001035591319 819578853 /nfs/dbraw/zinc/57/88/53/819578853.db2.gz UVAIBMYMYDQWPK-NSHDSACASA-N 1 2 289.339 0.279 20 30 CCEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)CS(C)(=O)=O)CC2 ZINC001035657960 819595209 /nfs/dbraw/zinc/59/52/09/819595209.db2.gz KPUQUMYMEWASGB-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1[nH]nnc1C)CC2 ZINC001035764292 819621398 /nfs/dbraw/zinc/62/13/98/819621398.db2.gz KRECBUHEXWRUCV-UHFFFAOYSA-N 1 2 287.367 0.674 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1NCC#N ZINC001036002717 819664794 /nfs/dbraw/zinc/66/47/94/819664794.db2.gz BYXMCXJOGSHGGJ-RYUDHWBXSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001083872585 819984194 /nfs/dbraw/zinc/98/41/94/819984194.db2.gz LRWHFWRGZSHHOL-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001083872585 819984202 /nfs/dbraw/zinc/98/42/02/819984202.db2.gz LRWHFWRGZSHHOL-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@@H](O)C1 ZINC001083901852 820209222 /nfs/dbraw/zinc/20/92/22/820209222.db2.gz RXXCWHIVMMNHRN-YPMHNXCESA-N 1 2 289.335 0.035 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@@H](O)C1 ZINC001083901852 820209231 /nfs/dbraw/zinc/20/92/31/820209231.db2.gz RXXCWHIVMMNHRN-YPMHNXCESA-N 1 2 289.335 0.035 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982128 820499766 /nfs/dbraw/zinc/49/97/66/820499766.db2.gz OMNMBVGJMLZIKX-MBNYWOFBSA-N 1 2 287.367 0.406 20 30 CCEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001080347432 820556565 /nfs/dbraw/zinc/55/65/65/820556565.db2.gz QVQXHVYZLWQMJX-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C=CCCC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001080628553 820602994 /nfs/dbraw/zinc/60/29/94/820602994.db2.gz SLYIKFLNRSRKFW-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001081294114 820734085 /nfs/dbraw/zinc/73/40/85/820734085.db2.gz SIRJTKGZMHGHJO-ZIAGYGMSSA-N 1 2 258.321 0.749 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001081294114 820734091 /nfs/dbraw/zinc/73/40/91/820734091.db2.gz SIRJTKGZMHGHJO-ZIAGYGMSSA-N 1 2 258.321 0.749 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001081372367 820749416 /nfs/dbraw/zinc/74/94/16/820749416.db2.gz BVIUISRXLCMNAN-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001081372367 820749420 /nfs/dbraw/zinc/74/94/20/820749420.db2.gz BVIUISRXLCMNAN-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@H](OC)C1 ZINC001081532557 820784611 /nfs/dbraw/zinc/78/46/11/820784611.db2.gz VNAIWPSIIPUPTG-MGPQQGTHSA-N 1 2 275.352 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@H](OC)C1 ZINC001081532557 820784618 /nfs/dbraw/zinc/78/46/18/820784618.db2.gz VNAIWPSIIPUPTG-MGPQQGTHSA-N 1 2 275.352 0.498 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001081579173 820792573 /nfs/dbraw/zinc/79/25/73/820792573.db2.gz PRAPVFSXZHETOC-ZYHUDNBSSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001081579173 820792582 /nfs/dbraw/zinc/79/25/82/820792582.db2.gz PRAPVFSXZHETOC-ZYHUDNBSSA-N 1 2 263.297 0.045 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@H](OC)C1 ZINC001081599597 820804837 /nfs/dbraw/zinc/80/48/37/820804837.db2.gz DEGIRTGKVCYNMY-CHWSQXEVSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@H](OC)C1 ZINC001081599597 820804843 /nfs/dbraw/zinc/80/48/43/820804843.db2.gz DEGIRTGKVCYNMY-CHWSQXEVSA-N 1 2 288.351 0.237 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 ZINC001081751816 820832249 /nfs/dbraw/zinc/83/22/49/820832249.db2.gz WNIIYRGODAMMOB-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 ZINC001081751816 820832258 /nfs/dbraw/zinc/83/22/58/820832258.db2.gz WNIIYRGODAMMOB-NXEZZACHSA-N 1 2 267.354 0.758 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](OC)C1 ZINC001081994124 820873752 /nfs/dbraw/zinc/87/37/52/820873752.db2.gz ULLCNHCOLSFSOE-TZMCWYRMSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](OC)C1 ZINC001081994124 820873761 /nfs/dbraw/zinc/87/37/61/820873761.db2.gz ULLCNHCOLSFSOE-TZMCWYRMSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001082108905 820902105 /nfs/dbraw/zinc/90/21/05/820902105.db2.gz ZOIGNHNXOCIEAN-CHWSQXEVSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001082108905 820902107 /nfs/dbraw/zinc/90/21/07/820902107.db2.gz ZOIGNHNXOCIEAN-CHWSQXEVSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001082271701 820924670 /nfs/dbraw/zinc/92/46/70/820924670.db2.gz OHFLVVVSKYDRGH-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001082271701 820924674 /nfs/dbraw/zinc/92/46/74/820924674.db2.gz OHFLVVVSKYDRGH-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082977822 821083529 /nfs/dbraw/zinc/08/35/29/821083529.db2.gz BWHZLAIZVVVSKT-WDEREUQCSA-N 1 2 256.321 0.832 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001082977822 821083540 /nfs/dbraw/zinc/08/35/40/821083540.db2.gz BWHZLAIZVVVSKT-WDEREUQCSA-N 1 2 256.321 0.832 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccn3)[C@H]2C1 ZINC001082978395 821085735 /nfs/dbraw/zinc/08/57/35/821085735.db2.gz FGEYTMTWPVWLND-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccn3)[C@H]2C1 ZINC001082978395 821085745 /nfs/dbraw/zinc/08/57/45/821085745.db2.gz FGEYTMTWPVWLND-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn3C)[C@H]2C1 ZINC001083002971 821098952 /nfs/dbraw/zinc/09/89/52/821098952.db2.gz GOKFSGQBAVFFHM-LSDHHAIUSA-N 1 2 287.363 0.574 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn3C)[C@H]2C1 ZINC001083002971 821098961 /nfs/dbraw/zinc/09/89/61/821098961.db2.gz GOKFSGQBAVFFHM-LSDHHAIUSA-N 1 2 287.363 0.574 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(C)ccn3C)[C@H]2C1 ZINC001083062494 821131538 /nfs/dbraw/zinc/13/15/38/821131538.db2.gz QKWFRFXLCDUDEV-UONOGXRCSA-N 1 2 287.363 0.492 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(C)ccn3C)[C@H]2C1 ZINC001083062494 821131540 /nfs/dbraw/zinc/13/15/40/821131540.db2.gz QKWFRFXLCDUDEV-UONOGXRCSA-N 1 2 287.363 0.492 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CCC3)[C@H]2C1 ZINC001083118712 821137379 /nfs/dbraw/zinc/13/73/79/821137379.db2.gz OHIFDQNVGRASDD-VHDGCEQUSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CCC3)[C@H]2C1 ZINC001083118712 821137387 /nfs/dbraw/zinc/13/73/87/821137387.db2.gz OHIFDQNVGRASDD-VHDGCEQUSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccncc3C)[C@H]2C1 ZINC001083082986 821138001 /nfs/dbraw/zinc/13/80/01/821138001.db2.gz YWVWMHHCGWCNNO-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccncc3C)[C@H]2C1 ZINC001083082986 821138006 /nfs/dbraw/zinc/13/80/06/821138006.db2.gz YWVWMHHCGWCNNO-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC001083090240 821140609 /nfs/dbraw/zinc/14/06/09/821140609.db2.gz PDSDCBPWDLIQNL-QWHCGFSZSA-N 1 2 259.309 0.173 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC001083090240 821140615 /nfs/dbraw/zinc/14/06/15/821140615.db2.gz PDSDCBPWDLIQNL-QWHCGFSZSA-N 1 2 259.309 0.173 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnco3)[C@H]2C1 ZINC001083156477 821148185 /nfs/dbraw/zinc/14/81/85/821148185.db2.gz WGAVVDBTLDPPQA-CMPLNLGQSA-N 1 2 263.297 0.386 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnco3)[C@H]2C1 ZINC001083156477 821148191 /nfs/dbraw/zinc/14/81/91/821148191.db2.gz WGAVVDBTLDPPQA-CMPLNLGQSA-N 1 2 263.297 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H](O)C1 ZINC001083945070 821162092 /nfs/dbraw/zinc/16/20/92/821162092.db2.gz KFPUNCWKZWLSLF-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H](O)C1 ZINC001083945070 821162099 /nfs/dbraw/zinc/16/20/99/821162099.db2.gz KFPUNCWKZWLSLF-KGLIPLIRSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001083994608 821172076 /nfs/dbraw/zinc/17/20/76/821172076.db2.gz WSUPNKMCWBQNCY-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001083994608 821172081 /nfs/dbraw/zinc/17/20/81/821172081.db2.gz WSUPNKMCWBQNCY-CABCVRRESA-N 1 2 272.348 0.712 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cncn3C)C[C@H]21 ZINC001084235721 821249954 /nfs/dbraw/zinc/24/99/54/821249954.db2.gz LNNCVBXXJOGPGD-YRGRVCCFSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001084235721 821249957 /nfs/dbraw/zinc/24/99/57/821249957.db2.gz LNNCVBXXJOGPGD-YRGRVCCFSA-N 1 2 287.367 0.612 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001084264103 821257910 /nfs/dbraw/zinc/25/79/10/821257910.db2.gz HQNLEDRQWAXIJJ-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001084264103 821257918 /nfs/dbraw/zinc/25/79/18/821257918.db2.gz HQNLEDRQWAXIJJ-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO C=CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001119568780 821372746 /nfs/dbraw/zinc/37/27/46/821372746.db2.gz QPJKSUCBZSEBPX-SNVBAGLBSA-N 1 2 251.286 0.576 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)CSCC#N)CC[NH2+]2)cn1 ZINC001119596083 821384089 /nfs/dbraw/zinc/38/40/89/821384089.db2.gz JLURRUOEOCOOMA-NSHDSACASA-N 1 2 279.369 0.150 20 30 CCEDLO CC(C)(C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084775948 821387057 /nfs/dbraw/zinc/38/70/57/821387057.db2.gz AJSFHHMOZCUTKK-VXGBXAGGSA-N 1 2 287.367 0.744 20 30 CCEDLO N#CCN1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230431358 821424831 /nfs/dbraw/zinc/42/48/31/821424831.db2.gz AAMBZERPNAVSAH-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001230957270 821468801 /nfs/dbraw/zinc/46/88/01/821468801.db2.gz FBLUUSLBZLXTPO-STQMWFEESA-N 1 2 252.358 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001230957270 821468808 /nfs/dbraw/zinc/46/88/08/821468808.db2.gz FBLUUSLBZLXTPO-STQMWFEESA-N 1 2 252.358 0.967 20 30 CCEDLO N#Cc1cccc(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC000826789951 821671915 /nfs/dbraw/zinc/67/19/15/821671915.db2.gz WRTMAYMNYJXRHK-HNNXBMFYSA-N 1 2 295.346 0.997 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C[C@@H]1O ZINC001099977634 821682954 /nfs/dbraw/zinc/68/29/54/821682954.db2.gz ZZFBWLNBFSHENW-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C[C@@H]1O ZINC001099977634 821682956 /nfs/dbraw/zinc/68/29/56/821682956.db2.gz ZZFBWLNBFSHENW-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001085497158 821749250 /nfs/dbraw/zinc/74/92/50/821749250.db2.gz XKCQDSRQABCAHF-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001085497158 821749254 /nfs/dbraw/zinc/74/92/54/821749254.db2.gz XKCQDSRQABCAHF-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630291 821862520 /nfs/dbraw/zinc/86/25/20/821862520.db2.gz QBJNPWILSWJGMA-JTQLQIEISA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630291 821862528 /nfs/dbraw/zinc/86/25/28/821862528.db2.gz QBJNPWILSWJGMA-JTQLQIEISA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1OC ZINC001085632510 821863168 /nfs/dbraw/zinc/86/31/68/821863168.db2.gz WDVYOOMHZFWFAE-LBPRGKRZSA-N 1 2 288.351 0.573 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1OC ZINC001085632510 821863179 /nfs/dbraw/zinc/86/31/79/821863179.db2.gz WDVYOOMHZFWFAE-LBPRGKRZSA-N 1 2 288.351 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085750941 821932001 /nfs/dbraw/zinc/93/20/01/821932001.db2.gz SQFGDVXWDRGEKF-ZDUSSCGKSA-N 1 2 274.368 0.816 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085750941 821932008 /nfs/dbraw/zinc/93/20/08/821932008.db2.gz SQFGDVXWDRGEKF-ZDUSSCGKSA-N 1 2 274.368 0.816 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C#C)c1 ZINC001085809623 821961713 /nfs/dbraw/zinc/96/17/13/821961713.db2.gz JSNSMEWYVJZGIZ-OAHLLOKOSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C#C)c1 ZINC001085809623 821961717 /nfs/dbraw/zinc/96/17/17/821961717.db2.gz JSNSMEWYVJZGIZ-OAHLLOKOSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085816444 821964609 /nfs/dbraw/zinc/96/46/09/821964609.db2.gz XBNMZOOPWAPYIN-GFCCVEGCSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085816444 821964618 /nfs/dbraw/zinc/96/46/18/821964618.db2.gz XBNMZOOPWAPYIN-GFCCVEGCSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001085824158 821972268 /nfs/dbraw/zinc/97/22/68/821972268.db2.gz BINQVPWBRYDTCG-AGIUHOORSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001085824158 821972272 /nfs/dbraw/zinc/97/22/72/821972272.db2.gz BINQVPWBRYDTCG-AGIUHOORSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC=C)nn1 ZINC001085861547 821986525 /nfs/dbraw/zinc/98/65/25/821986525.db2.gz AMQGZFDSQBLOAI-LBPRGKRZSA-N 1 2 273.340 0.244 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC=C)nn1 ZINC001085861547 821986530 /nfs/dbraw/zinc/98/65/30/821986530.db2.gz AMQGZFDSQBLOAI-LBPRGKRZSA-N 1 2 273.340 0.244 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085902707 822005417 /nfs/dbraw/zinc/00/54/17/822005417.db2.gz KOAYPQABZHDLIT-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085902707 822005420 /nfs/dbraw/zinc/00/54/20/822005420.db2.gz KOAYPQABZHDLIT-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc(C)n2)C1 ZINC001108222862 822030194 /nfs/dbraw/zinc/03/01/94/822030194.db2.gz NYDLMFYLVHKTMU-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc(C)n2)C1 ZINC001108222862 822030199 /nfs/dbraw/zinc/03/01/99/822030199.db2.gz NYDLMFYLVHKTMU-HNNXBMFYSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001108225634 822032175 /nfs/dbraw/zinc/03/21/75/822032175.db2.gz WZWBIXWIBLFPME-IJEWVQPXSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001108225634 822032183 /nfs/dbraw/zinc/03/21/83/822032183.db2.gz WZWBIXWIBLFPME-IJEWVQPXSA-N 1 2 294.395 0.971 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114067497 837422688 /nfs/dbraw/zinc/42/26/88/837422688.db2.gz SMJRMVRTHWMVNQ-CPOMMVLXSA-N 1 2 277.353 0.244 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114067497 837422696 /nfs/dbraw/zinc/42/26/96/837422696.db2.gz SMJRMVRTHWMVNQ-CPOMMVLXSA-N 1 2 277.353 0.244 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108338102 835975084 /nfs/dbraw/zinc/97/50/84/835975084.db2.gz WCJPIVUKXWSKAP-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C#N)ccc2Cl)C[NH2+]1 ZINC001169135790 836148253 /nfs/dbraw/zinc/14/82/53/836148253.db2.gz ALGVYXMXQUAVTM-SCZZXKLOSA-N 1 2 280.715 0.922 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)C(C)C)CC2=O)C1 ZINC001108574826 836467211 /nfs/dbraw/zinc/46/72/11/836467211.db2.gz CADAMJOLDYFREX-CHWSQXEVSA-N 1 2 293.411 0.866 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OC)C2 ZINC001108997766 836593322 /nfs/dbraw/zinc/59/33/22/836593322.db2.gz LUBHHGQGVDITAQ-NDBYEHHHSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OC)C2 ZINC001108997766 836593328 /nfs/dbraw/zinc/59/33/28/836593328.db2.gz LUBHHGQGVDITAQ-NDBYEHHHSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(C)(=O)=O)C2 ZINC001109456085 836685189 /nfs/dbraw/zinc/68/51/89/836685189.db2.gz FEAFNJYBFWMKMC-WOPDTQHZSA-N 1 2 286.397 0.329 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCS(C)(=O)=O)C2 ZINC001109456085 836685182 /nfs/dbraw/zinc/68/51/82/836685182.db2.gz FEAFNJYBFWMKMC-WOPDTQHZSA-N 1 2 286.397 0.329 20 30 CCEDLO C[N@H+](CCC(N)=O)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001170050408 836796070 /nfs/dbraw/zinc/79/60/70/836796070.db2.gz BJYHXUJBKMEBOW-UHFFFAOYSA-N 1 2 262.269 0.774 20 30 CCEDLO C[N@@H+](CCC(N)=O)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001170050408 836796073 /nfs/dbraw/zinc/79/60/73/836796073.db2.gz BJYHXUJBKMEBOW-UHFFFAOYSA-N 1 2 262.269 0.774 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C)c2)CC1 ZINC001112605896 836819955 /nfs/dbraw/zinc/81/99/55/836819955.db2.gz WETNSPMDIDNHID-UHFFFAOYSA-N 1 2 278.356 0.381 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112846326 836938429 /nfs/dbraw/zinc/93/84/29/836938429.db2.gz LRANPWHTXROFDQ-OAHLLOKOSA-N 1 2 296.411 0.842 20 30 CCEDLO C=C(C)CCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112901555 836959333 /nfs/dbraw/zinc/95/93/33/836959333.db2.gz TVMRNRZIJKUEQD-UHFFFAOYSA-N 1 2 270.373 0.496 20 30 CCEDLO C=CCC1(O)C[NH+](C[C@H]2[C@@H](C(=O)OC)C2(F)F)C1 ZINC001184339392 844220590 /nfs/dbraw/zinc/22/05/90/844220590.db2.gz QHDALVFFYPCMLU-IUCAKERBSA-N 1 2 261.268 0.664 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001113058585 837012014 /nfs/dbraw/zinc/01/20/14/837012014.db2.gz CNNCBWTXTIJDGY-UHFFFAOYSA-N 1 2 275.299 0.088 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113229895 837062879 /nfs/dbraw/zinc/06/28/79/837062879.db2.gz SVQYCCYGRULMCL-KBPBESRZSA-N 1 2 291.399 0.881 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001113592245 837172260 /nfs/dbraw/zinc/17/22/60/837172260.db2.gz CQBPRARLVMDJDP-UHFFFAOYSA-N 1 2 292.383 0.933 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001113747414 837211575 /nfs/dbraw/zinc/21/15/75/837211575.db2.gz SPDUJLYWSUUHGS-INIZCTEOSA-N 1 2 291.395 0.603 20 30 CCEDLO CON1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001170264581 837278494 /nfs/dbraw/zinc/27/84/94/837278494.db2.gz RBDOFXSSNIDQMR-AWEZNQCLSA-N 1 2 261.325 0.771 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1cncc(C#N)n1 ZINC001113898051 837357711 /nfs/dbraw/zinc/35/77/11/837357711.db2.gz KAMKYEOPMUOPIB-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO Cn1c[nH+]cc1-c1cccc(N[C@H](C#N)C(N)=O)c1 ZINC001170534456 837980324 /nfs/dbraw/zinc/98/03/24/837980324.db2.gz AVTSPRQHUPTGMF-LLVKDONJSA-N 1 2 255.281 0.876 20 30 CCEDLO N#C[C@H](Nc1ccc(Cn2cc[nH+]c2)cc1)C(N)=O ZINC001170534512 837980502 /nfs/dbraw/zinc/98/05/02/837980502.db2.gz AOPYLHMQZVYLIE-LBPRGKRZSA-N 1 2 255.281 0.721 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCF)C[C@H]1NCC#N ZINC001131053835 837980702 /nfs/dbraw/zinc/98/07/02/837980702.db2.gz DCFTXQLLETYJIM-VXGBXAGGSA-N 1 2 293.346 0.577 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2CCC2)C[N@@H+]1CC(=O)NCC#N ZINC001131724742 838188796 /nfs/dbraw/zinc/18/87/96/838188796.db2.gz HDQPJLCCPQWASN-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2CCC2)C[N@H+]1CC(=O)NCC#N ZINC001131724742 838188800 /nfs/dbraw/zinc/18/88/00/838188800.db2.gz HDQPJLCCPQWASN-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018287 838299599 /nfs/dbraw/zinc/29/95/99/838299599.db2.gz WIFGXIIUYFUHCK-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018287 838299606 /nfs/dbraw/zinc/29/96/06/838299606.db2.gz WIFGXIIUYFUHCK-KBPBESRZSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132054983 838307900 /nfs/dbraw/zinc/30/79/00/838307900.db2.gz VUZKEGFZXRWHCS-RYUDHWBXSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132054983 838307908 /nfs/dbraw/zinc/30/79/08/838307908.db2.gz VUZKEGFZXRWHCS-RYUDHWBXSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CN1CC#N ZINC001132221506 838340057 /nfs/dbraw/zinc/34/00/57/838340057.db2.gz JGBXOWKXDWEXOJ-OLZOCXBDSA-N 1 2 275.356 0.766 20 30 CCEDLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001133021503 838535907 /nfs/dbraw/zinc/53/59/07/838535907.db2.gz PCBXXNTYVQBJCG-UONOGXRCSA-N 1 2 289.383 0.871 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001133194501 838573851 /nfs/dbraw/zinc/57/38/51/838573851.db2.gz GTZNAVAVFABDHY-NEPJUHHUSA-N 1 2 275.356 0.550 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001135065008 839148245 /nfs/dbraw/zinc/14/82/45/839148245.db2.gz RJNVTEODKDVXLH-STQMWFEESA-N 1 2 294.355 0.647 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 ZINC001185571653 844433512 /nfs/dbraw/zinc/43/35/12/844433512.db2.gz FFLOTHGCGSSYRP-WCQYABFASA-N 1 2 289.383 0.858 20 30 CCEDLO C[C@@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)NCC#N ZINC001135944520 839476190 /nfs/dbraw/zinc/47/61/90/839476190.db2.gz KZVZPCUPTGZBFY-QWRGUYRKSA-N 1 2 263.345 0.359 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090703470 839745902 /nfs/dbraw/zinc/74/59/02/839745902.db2.gz GVMWQEFRXZAZPX-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 ZINC001090703470 839745907 /nfs/dbraw/zinc/74/59/07/839745907.db2.gz GVMWQEFRXZAZPX-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c(C#N)c1 ZINC001186048791 844499159 /nfs/dbraw/zinc/49/91/59/844499159.db2.gz IOKQLSYTAAHNGT-GFCCVEGCSA-N 1 2 270.292 0.435 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c(C#N)c1 ZINC001186048791 844499162 /nfs/dbraw/zinc/49/91/62/844499162.db2.gz IOKQLSYTAAHNGT-GFCCVEGCSA-N 1 2 270.292 0.435 20 30 CCEDLO C#Cc1ccc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)cc1 ZINC001144576117 840089260 /nfs/dbraw/zinc/08/92/60/840089260.db2.gz AGZMTVVPNPMPHN-UHFFFAOYSA-N 1 2 283.375 0.626 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001171362307 840949734 /nfs/dbraw/zinc/94/97/34/840949734.db2.gz BGFSRRILQZSQJW-GWCFXTLKSA-N 1 2 287.323 0.974 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C)nn2)C1 ZINC001094270896 841577045 /nfs/dbraw/zinc/57/70/45/841577045.db2.gz JHEHFSNNKWMJFC-RISCZKNCSA-N 1 2 289.383 0.983 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001094471809 841642077 /nfs/dbraw/zinc/64/20/77/841642077.db2.gz QQLHWZWKBHUZEI-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ncccc1C#N ZINC001094504532 841645498 /nfs/dbraw/zinc/64/54/98/841645498.db2.gz VVUCPVUVTAJADE-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094595067 841683429 /nfs/dbraw/zinc/68/34/29/841683429.db2.gz QWORPEQAOUGBDJ-NSHDSACASA-N 1 2 276.340 0.742 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001094809157 841729333 /nfs/dbraw/zinc/72/93/33/841729333.db2.gz ZAXRRZMFIYJKCB-UHFFFAOYSA-N 1 2 284.323 0.259 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)OC ZINC001172166870 841878603 /nfs/dbraw/zinc/87/86/03/841878603.db2.gz UUNZSZJKORNDGX-UTUOFQBUSA-N 1 2 264.325 0.294 20 30 CCEDLO N#Cc1cnc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001110169136 842049871 /nfs/dbraw/zinc/04/98/71/842049871.db2.gz GPIZELOGWFLJLV-UHFFFAOYSA-N 1 2 297.322 0.306 20 30 CCEDLO COC(=O)CCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001173451721 842087715 /nfs/dbraw/zinc/08/77/15/842087715.db2.gz RDSSCEHJCRLXJW-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO COC(=O)[C@@H](CC(N)=O)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591409 842114460 /nfs/dbraw/zinc/11/44/60/842114460.db2.gz IWDUKBWBEWWJSU-RUETXSTFSA-N 1 2 267.329 0.465 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C#N ZINC001176354214 842362876 /nfs/dbraw/zinc/36/28/76/842362876.db2.gz LBXWQBVMZBKYCT-CHWSQXEVSA-N 1 2 289.339 0.362 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C#N ZINC001176354214 842362883 /nfs/dbraw/zinc/36/28/83/842362883.db2.gz LBXWQBVMZBKYCT-CHWSQXEVSA-N 1 2 289.339 0.362 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176832138 842419168 /nfs/dbraw/zinc/41/91/68/842419168.db2.gz JYBWYEWIZXHQAT-NSHDSACASA-N 1 2 292.339 0.855 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCN2CCOC2=O)CC1 ZINC001178780132 842924506 /nfs/dbraw/zinc/92/45/06/842924506.db2.gz QIDWUMZYHWPLIU-UHFFFAOYSA-N 1 2 267.329 0.159 20 30 CCEDLO C[C@H](C(=O)N=C(N)c1ccc(C(N)=O)cc1)[NH+]1CCCC1 ZINC001180581904 843206876 /nfs/dbraw/zinc/20/68/76/843206876.db2.gz GBVMXAWOWNLAPR-SNVBAGLBSA-N 1 2 288.351 0.502 20 30 CCEDLO Cc1ccc(C(=NC(=O)Cc2cc[nH+]c(N)c2)NO)nc1 ZINC001181279249 843440276 /nfs/dbraw/zinc/44/02/76/843440276.db2.gz JCAPAOWKPANCOQ-UHFFFAOYSA-N 1 2 285.307 0.862 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)C)C2 ZINC001110246183 843566807 /nfs/dbraw/zinc/56/68/07/843566807.db2.gz CWHOGOHDFUXEND-MCIONIFRSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)C)C2 ZINC001110246183 843566814 /nfs/dbraw/zinc/56/68/14/843566814.db2.gz CWHOGOHDFUXEND-MCIONIFRSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)C(=O)OC ZINC001182272349 843761818 /nfs/dbraw/zinc/76/18/18/843761818.db2.gz QYWCRNZYEHDQHV-LBPRGKRZSA-N 1 2 299.392 0.498 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182431958 843814303 /nfs/dbraw/zinc/81/43/03/843814303.db2.gz LQFKSMAKORCTDX-LLVKDONJSA-N 1 2 278.381 0.888 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189278782 845091844 /nfs/dbraw/zinc/09/18/44/845091844.db2.gz CJDHWWOVFYHTGH-NSHDSACASA-N 1 2 293.371 0.107 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189278782 845091847 /nfs/dbraw/zinc/09/18/47/845091847.db2.gz CJDHWWOVFYHTGH-NSHDSACASA-N 1 2 293.371 0.107 20 30 CCEDLO Cc1c[nH+]c2n1CCC21CCN(S(=O)(=O)CC#N)CC1 ZINC001192950909 845932785 /nfs/dbraw/zinc/93/27/85/845932785.db2.gz FLYBNTHWUZRGFR-UHFFFAOYSA-N 1 2 294.380 0.782 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001193174005 845997473 /nfs/dbraw/zinc/99/74/73/845997473.db2.gz XEGBEUDJBBTJRT-LLVKDONJSA-N 1 2 294.380 0.882 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193195300 846015457 /nfs/dbraw/zinc/01/54/57/846015457.db2.gz YVHAIOVPSLCKQN-VIFPVBQESA-N 1 2 264.310 0.666 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC(=O)NCC)O2 ZINC001273654613 846022426 /nfs/dbraw/zinc/02/24/26/846022426.db2.gz HDFBXQJKRJVCNH-GFCCVEGCSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)COC)CO2 ZINC001273676689 846287058 /nfs/dbraw/zinc/28/70/58/846287058.db2.gz YPNXWSWKQVFZNQ-NSHDSACASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)OC)CC1 ZINC001195045132 846445168 /nfs/dbraw/zinc/44/51/68/846445168.db2.gz VMPWAQYGDHBPLM-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)OC)CC1 ZINC001195045132 846445178 /nfs/dbraw/zinc/44/51/78/846445178.db2.gz VMPWAQYGDHBPLM-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cocn2)CC1 ZINC001195246744 846485747 /nfs/dbraw/zinc/48/57/47/846485747.db2.gz YPSIXYOCDKIURC-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cocn2)CC1 ZINC001195246744 846485749 /nfs/dbraw/zinc/48/57/49/846485749.db2.gz YPSIXYOCDKIURC-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC=C)CC1 ZINC001195645272 846592226 /nfs/dbraw/zinc/59/22/26/846592226.db2.gz NCNDLOLHNUMKDH-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NCC=C)CC1 ZINC001195645272 846592233 /nfs/dbraw/zinc/59/22/33/846592233.db2.gz NCNDLOLHNUMKDH-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(CO)c2)CC1 ZINC001196239349 846720225 /nfs/dbraw/zinc/72/02/25/846720225.db2.gz WCQWLFZIUKAXBK-UHFFFAOYSA-N 1 2 261.325 0.518 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](C[C@@H]1COC(C)(C)O1)C2 ZINC001273718951 846727027 /nfs/dbraw/zinc/72/70/27/846727027.db2.gz KUENPTCMUAGURU-GFCCVEGCSA-N 1 2 296.367 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001196511062 846753924 /nfs/dbraw/zinc/75/39/24/846753924.db2.gz VPRGCNNNQBRBEZ-IACUBPJLSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001196511062 846753929 /nfs/dbraw/zinc/75/39/29/846753929.db2.gz VPRGCNNNQBRBEZ-IACUBPJLSA-N 1 2 292.404 0.721 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196783462 846799658 /nfs/dbraw/zinc/79/96/58/846799658.db2.gz ZLHOEVNNQBGMLO-CHWSQXEVSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196783462 846799666 /nfs/dbraw/zinc/79/96/66/846799666.db2.gz ZLHOEVNNQBGMLO-CHWSQXEVSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196879961 846808732 /nfs/dbraw/zinc/80/87/32/846808732.db2.gz GLHKTVKPGVUZAP-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196879961 846808738 /nfs/dbraw/zinc/80/87/38/846808738.db2.gz GLHKTVKPGVUZAP-QWHCGFSZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(-c3ncccn3)c2)CC1 ZINC001197827121 846990845 /nfs/dbraw/zinc/99/08/45/846990845.db2.gz HHQXMKPCUJPSMD-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC#C)CCCCC2)C1 ZINC001199284492 847283094 /nfs/dbraw/zinc/28/30/94/847283094.db2.gz DKTQPEIQMCMEOU-HUUCEWRRSA-N 1 2 288.391 0.755 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC#C)CCCCC2)C1 ZINC001199284492 847283102 /nfs/dbraw/zinc/28/31/02/847283102.db2.gz DKTQPEIQMCMEOU-HUUCEWRRSA-N 1 2 288.391 0.755 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001199331636 847306216 /nfs/dbraw/zinc/30/62/16/847306216.db2.gz RGGDNQCAUNJJLG-QKPYMPQASA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001199331636 847306227 /nfs/dbraw/zinc/30/62/27/847306227.db2.gz RGGDNQCAUNJJLG-QKPYMPQASA-N 1 2 288.775 0.491 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1cnc(C#N)cn1 ZINC001199669801 847394068 /nfs/dbraw/zinc/39/40/68/847394068.db2.gz HDPGKSFBBBWTQB-UHFFFAOYSA-N 1 2 256.269 0.054 20 30 CCEDLO C=CCNC(=S)N(CC)CC[NH+]1CCOCC1 ZINC001200289254 847597536 /nfs/dbraw/zinc/59/75/36/847597536.db2.gz MFBJWEDSZZJHGK-UHFFFAOYSA-N 1 2 257.403 0.701 20 30 CCEDLO C=CCNC(=S)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001200296779 847601631 /nfs/dbraw/zinc/60/16/31/847601631.db2.gz NYFAVFFBVIBHQW-SNVBAGLBSA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCNC(=S)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001200296779 847601638 /nfs/dbraw/zinc/60/16/38/847601638.db2.gz NYFAVFFBVIBHQW-SNVBAGLBSA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)C(=O)OCC ZINC001273944352 847894811 /nfs/dbraw/zinc/89/48/11/847894811.db2.gz JONQFCVGKITKPG-VXGBXAGGSA-N 1 2 294.351 0.370 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)C(=O)OCC ZINC001273944352 847894822 /nfs/dbraw/zinc/89/48/22/847894822.db2.gz JONQFCVGKITKPG-VXGBXAGGSA-N 1 2 294.351 0.370 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001153135474 847931793 /nfs/dbraw/zinc/93/17/93/847931793.db2.gz UNTAZUONNGQSGE-LLVKDONJSA-N 1 2 264.329 0.274 20 30 CCEDLO CN1C(=O)COCC12C[NH+](Cc1ccc(C#N)cc1O)C2 ZINC001274168005 848364793 /nfs/dbraw/zinc/36/47/93/848364793.db2.gz MEKWANYBWXROLC-UHFFFAOYSA-N 1 2 287.319 0.307 20 30 CCEDLO C#CCN1CC2(C[NH+](C[C@H](O)CCCC)C2)OCC1=O ZINC001274570764 848508636 /nfs/dbraw/zinc/50/86/36/848508636.db2.gz DESHREAWCFBHOH-CYBMUJFWSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001274753114 848560484 /nfs/dbraw/zinc/56/04/84/848560484.db2.gz MQWPFSOECJCCEU-ZJUUUORDSA-N 1 2 282.369 0.171 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001275403725 848710391 /nfs/dbraw/zinc/71/03/91/848710391.db2.gz LDKNDTBNOOXFPJ-QWRGUYRKSA-N 1 2 296.396 0.561 20 30 CCEDLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)NCC#N ZINC001275402792 848711177 /nfs/dbraw/zinc/71/11/77/848711177.db2.gz CZWJOFGBSNUHPX-NWDGAFQWSA-N 1 2 289.383 0.768 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001275818413 848835324 /nfs/dbraw/zinc/83/53/24/848835324.db2.gz JICJHCOZRGAQIR-WFASDCNBSA-N 1 2 294.399 0.684 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001275818413 848835327 /nfs/dbraw/zinc/83/53/27/848835327.db2.gz JICJHCOZRGAQIR-WFASDCNBSA-N 1 2 294.399 0.684 20 30 CCEDLO CC(C)[NH+]1CC(CCO)(NC(=O)CSCC#N)C1 ZINC001276028146 848895472 /nfs/dbraw/zinc/89/54/72/848895472.db2.gz RGQFPNUANXCCNU-UHFFFAOYSA-N 1 2 271.386 0.205 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001276056896 848911464 /nfs/dbraw/zinc/91/14/64/848911464.db2.gz OLAGXELRVDQMLO-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)CS(C)(=O)=O)C1 ZINC001276352286 849444049 /nfs/dbraw/zinc/44/40/49/849444049.db2.gz YATRCYALGNOIFE-JTQLQIEISA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC2CCC2)C1 ZINC001276360611 849450324 /nfs/dbraw/zinc/45/03/24/849450324.db2.gz MMVVKVOQUWXARO-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001038247833 849829100 /nfs/dbraw/zinc/82/91/00/849829100.db2.gz GLMXPNALEQQDMT-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001038247833 849829107 /nfs/dbraw/zinc/82/91/07/849829107.db2.gz GLMXPNALEQQDMT-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001038315943 849847829 /nfs/dbraw/zinc/84/78/29/849847829.db2.gz UVWUZEWGUYNBPD-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001038315943 849847835 /nfs/dbraw/zinc/84/78/35/849847835.db2.gz UVWUZEWGUYNBPD-OLZOCXBDSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038373139 849869995 /nfs/dbraw/zinc/86/99/95/849869995.db2.gz IGNHCJCKOZLVQF-LLVKDONJSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038373139 849870004 /nfs/dbraw/zinc/87/00/04/849870004.db2.gz IGNHCJCKOZLVQF-LLVKDONJSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038396167 849880582 /nfs/dbraw/zinc/88/05/82/849880582.db2.gz YEWNEBOEQXUMMV-GFCCVEGCSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038396167 849880590 /nfs/dbraw/zinc/88/05/90/849880590.db2.gz YEWNEBOEQXUMMV-GFCCVEGCSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001038408268 849882396 /nfs/dbraw/zinc/88/23/96/849882396.db2.gz VHUDAGMRLZWFOQ-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001038408268 849882402 /nfs/dbraw/zinc/88/24/02/849882402.db2.gz VHUDAGMRLZWFOQ-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038422857 849888911 /nfs/dbraw/zinc/88/89/11/849888911.db2.gz ATDQCMWVBHJIAQ-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038422857 849888924 /nfs/dbraw/zinc/88/89/24/849888924.db2.gz ATDQCMWVBHJIAQ-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001038440980 849900503 /nfs/dbraw/zinc/90/05/03/849900503.db2.gz LYDOHWWSKFPCNZ-WXRRBKDZSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001038440980 849900511 /nfs/dbraw/zinc/90/05/11/849900511.db2.gz LYDOHWWSKFPCNZ-WXRRBKDZSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038505971 849927087 /nfs/dbraw/zinc/92/70/87/849927087.db2.gz QYQAFJBYCMWEBE-LLVKDONJSA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038505971 849927089 /nfs/dbraw/zinc/92/70/89/849927089.db2.gz QYQAFJBYCMWEBE-LLVKDONJSA-N 1 2 289.335 0.536 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038515969 849929097 /nfs/dbraw/zinc/92/90/97/849929097.db2.gz VGDQLBGOZBTCNR-CYBMUJFWSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038515969 849929101 /nfs/dbraw/zinc/92/91/01/849929101.db2.gz VGDQLBGOZBTCNR-CYBMUJFWSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001038536352 849935629 /nfs/dbraw/zinc/93/56/29/849935629.db2.gz KEKUOYMWDTZIKU-LLVKDONJSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001038536352 849935634 /nfs/dbraw/zinc/93/56/34/849935634.db2.gz KEKUOYMWDTZIKU-LLVKDONJSA-N 1 2 283.335 0.704 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001038542600 849937102 /nfs/dbraw/zinc/93/71/02/849937102.db2.gz KLGSMDWIVAQXFZ-ZQDZILKHSA-N 1 2 292.379 0.252 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001038542600 849937108 /nfs/dbraw/zinc/93/71/08/849937108.db2.gz KLGSMDWIVAQXFZ-ZQDZILKHSA-N 1 2 292.379 0.252 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnon2)c1 ZINC001038841127 850038192 /nfs/dbraw/zinc/03/81/92/850038192.db2.gz WIUARDJVMJXBEG-ZDUSSCGKSA-N 1 2 297.318 0.946 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnon2)c1 ZINC001038841127 850038198 /nfs/dbraw/zinc/03/81/98/850038198.db2.gz WIUARDJVMJXBEG-ZDUSSCGKSA-N 1 2 297.318 0.946 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001038843058 850042112 /nfs/dbraw/zinc/04/21/12/850042112.db2.gz UKJNAQWUUKTVEV-CYBMUJFWSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001038843058 850042126 /nfs/dbraw/zinc/04/21/26/850042126.db2.gz UKJNAQWUUKTVEV-CYBMUJFWSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038856204 850049633 /nfs/dbraw/zinc/04/96/33/850049633.db2.gz LTTOXPAYDLPWSH-GFCCVEGCSA-N 1 2 275.356 0.516 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038856204 850049642 /nfs/dbraw/zinc/04/96/42/850049642.db2.gz LTTOXPAYDLPWSH-GFCCVEGCSA-N 1 2 275.356 0.516 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903908 850075371 /nfs/dbraw/zinc/07/53/71/850075371.db2.gz DETLKYBVFBIPMF-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903908 850075383 /nfs/dbraw/zinc/07/53/83/850075383.db2.gz DETLKYBVFBIPMF-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039015632 850121433 /nfs/dbraw/zinc/12/14/33/850121433.db2.gz WKZGXTJBCLTGQX-GFCCVEGCSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039015632 850121439 /nfs/dbraw/zinc/12/14/39/850121439.db2.gz WKZGXTJBCLTGQX-GFCCVEGCSA-N 1 2 283.335 0.704 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001041953871 850538828 /nfs/dbraw/zinc/53/88/28/850538828.db2.gz PFAXQSMVRBOLGH-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001041953871 850538831 /nfs/dbraw/zinc/53/88/31/850538831.db2.gz PFAXQSMVRBOLGH-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2COC(=O)C2)C1 ZINC001042616474 850713837 /nfs/dbraw/zinc/71/38/37/850713837.db2.gz OOIUYASSRCBVMW-SNVBAGLBSA-N 1 2 252.314 0.268 20 30 CCEDLO COCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614709 850714178 /nfs/dbraw/zinc/71/41/78/850714178.db2.gz ZDTNQYIBHWTNCJ-UHFFFAOYSA-N 1 2 262.313 0.289 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001042738687 850747403 /nfs/dbraw/zinc/74/74/03/850747403.db2.gz HFPWPGIDLPVZHZ-ZYHUDNBSSA-N 1 2 265.357 0.230 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001042850782 850768885 /nfs/dbraw/zinc/76/88/85/850768885.db2.gz AZHVVJLXARNHGU-UHFFFAOYSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(OC)c2)C1 ZINC001043194892 850830613 /nfs/dbraw/zinc/83/06/13/850830613.db2.gz NJMJGXUWKOEVLU-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC001043234034 850840861 /nfs/dbraw/zinc/84/08/61/850840861.db2.gz GSEGDQNYLXAGBT-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001043391031 850866178 /nfs/dbraw/zinc/86/61/78/850866178.db2.gz AKCCJDRYJRNRTI-WCQYABFASA-N 1 2 250.342 0.577 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CN(CC#N)C1 ZINC001043453175 850874831 /nfs/dbraw/zinc/87/48/31/850874831.db2.gz JSHBLOKPWDNEEI-AWEZNQCLSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CN(CC#N)C1 ZINC001043453175 850874835 /nfs/dbraw/zinc/87/48/35/850874835.db2.gz JSHBLOKPWDNEEI-AWEZNQCLSA-N 1 2 294.399 0.153 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2OC)C1 ZINC001043995003 850981916 /nfs/dbraw/zinc/98/19/16/850981916.db2.gz PMKORMTVZQBURN-UHFFFAOYSA-N 1 2 290.367 0.517 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001044082271 851004297 /nfs/dbraw/zinc/00/42/97/851004297.db2.gz BBLBDYNOHFWJFN-UHFFFAOYSA-N 1 2 292.339 0.067 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001044160249 851026389 /nfs/dbraw/zinc/02/63/89/851026389.db2.gz WWYJDGFBPGLZJC-ZDUSSCGKSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C#C)cn2)C1 ZINC001044202727 851042998 /nfs/dbraw/zinc/04/29/98/851042998.db2.gz CEEYHAIMPXGZKF-UHFFFAOYSA-N 1 2 267.332 0.842 20 30 CCEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001044232132 851046792 /nfs/dbraw/zinc/04/67/92/851046792.db2.gz GRGOKYKWARBXLJ-UHFFFAOYSA-N 1 2 272.348 0.345 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2OC)C1 ZINC001044234532 851049436 /nfs/dbraw/zinc/04/94/36/851049436.db2.gz ARUWHLJVGNCFMK-UHFFFAOYSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001044260484 851055069 /nfs/dbraw/zinc/05/50/69/851055069.db2.gz SNISZNFDBAADAH-UHFFFAOYSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2N(C)C)C1 ZINC001044290050 851063090 /nfs/dbraw/zinc/06/30/90/851063090.db2.gz HWNYDRJYDIJDGN-UHFFFAOYSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001044317181 851074928 /nfs/dbraw/zinc/07/49/28/851074928.db2.gz BMCQJRAMFWXVQE-UHFFFAOYSA-N 1 2 289.383 0.564 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044576304 851125588 /nfs/dbraw/zinc/12/55/88/851125588.db2.gz AICJEXZCROGWEF-NWDGAFQWSA-N 1 2 275.356 0.835 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001045995823 851343600 /nfs/dbraw/zinc/34/36/00/851343600.db2.gz STKDFUBILPAHME-OAHLLOKOSA-N 1 2 299.378 0.437 20 30 CCEDLO CC(C)CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001045996779 851344254 /nfs/dbraw/zinc/34/42/54/851344254.db2.gz IJMWOTOIUUVHMR-CQSZACIVSA-N 1 2 278.400 0.775 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046460036 851514327 /nfs/dbraw/zinc/51/43/27/851514327.db2.gz BSXSZSOFIJJQEQ-GXTWGEPZSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046460036 851514337 /nfs/dbraw/zinc/51/43/37/851514337.db2.gz BSXSZSOFIJJQEQ-GXTWGEPZSA-N 1 2 298.408 0.025 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046626610 851570503 /nfs/dbraw/zinc/57/05/03/851570503.db2.gz BCNGDWNSPCQEHY-NRUUGDAUSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046626610 851570506 /nfs/dbraw/zinc/57/05/06/851570506.db2.gz BCNGDWNSPCQEHY-NRUUGDAUSA-N 1 2 285.775 0.441 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001047365947 851740248 /nfs/dbraw/zinc/74/02/48/851740248.db2.gz QSNNQTRQZORDHQ-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001047365947 851740254 /nfs/dbraw/zinc/74/02/54/851740254.db2.gz QSNNQTRQZORDHQ-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001047459870 851771738 /nfs/dbraw/zinc/77/17/38/851771738.db2.gz GUJVKRVVFUKAJQ-STQMWFEESA-N 1 2 299.330 0.578 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001047459870 851771746 /nfs/dbraw/zinc/77/17/46/851771746.db2.gz GUJVKRVVFUKAJQ-STQMWFEESA-N 1 2 299.330 0.578 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001047615177 851834763 /nfs/dbraw/zinc/83/47/63/851834763.db2.gz PECCZCANMFIRCQ-UWVGGRQHSA-N 1 2 298.289 0.968 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001047615177 851834773 /nfs/dbraw/zinc/83/47/73/851834773.db2.gz PECCZCANMFIRCQ-UWVGGRQHSA-N 1 2 298.289 0.968 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096886281 852463167 /nfs/dbraw/zinc/46/31/67/852463167.db2.gz IEKYLMWWOWICIQ-MQYQWHSLSA-N 1 2 263.385 0.988 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096886281 852463172 /nfs/dbraw/zinc/46/31/72/852463172.db2.gz IEKYLMWWOWICIQ-MQYQWHSLSA-N 1 2 263.385 0.988 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097002843 852483841 /nfs/dbraw/zinc/48/38/41/852483841.db2.gz BMWPNXBUYIHJFQ-OPRDCNLKSA-N 1 2 299.338 0.582 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1OCC[C@H]1C)CCO2 ZINC001053435657 852744903 /nfs/dbraw/zinc/74/49/03/852744903.db2.gz YCHYCYPYNMLIFJ-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccon1)O2 ZINC001053574500 852761495 /nfs/dbraw/zinc/76/14/95/852761495.db2.gz CPMASFXLFMRRML-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCO1)CO2 ZINC001053729895 852792233 /nfs/dbraw/zinc/79/22/33/852792233.db2.gz VBRFLCGGWHXHIR-STQMWFEESA-N 1 2 278.352 0.148 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnns1)CO2 ZINC001053747379 852801048 /nfs/dbraw/zinc/80/10/48/852801048.db2.gz XJYIVABAYUUBPG-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053919975 852847942 /nfs/dbraw/zinc/84/79/42/852847942.db2.gz XGUQDJSEECBIKL-LBPRGKRZSA-N 1 2 280.368 0.295 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001097922117 852862170 /nfs/dbraw/zinc/86/21/70/852862170.db2.gz QSKGXRKPGLAZDQ-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO C=CCN1CC2(C1)C[C@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001053982387 852863520 /nfs/dbraw/zinc/86/35/20/852863520.db2.gz IPOOHQDYACXJAI-LBPRGKRZSA-N 1 2 290.367 0.108 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccncc1C#N ZINC001097955487 852997681 /nfs/dbraw/zinc/99/76/81/852997681.db2.gz NBGITIBZINPSQE-LLVKDONJSA-N 1 2 298.350 0.268 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001098006027 853121114 /nfs/dbraw/zinc/12/11/14/853121114.db2.gz BTQXHPATQBRUMB-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001098007078 853125481 /nfs/dbraw/zinc/12/54/81/853125481.db2.gz SMGWOVPNNGJTRO-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001050828970 853450424 /nfs/dbraw/zinc/45/04/24/853450424.db2.gz WWCAJNFDOFMBIN-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001050828970 853450432 /nfs/dbraw/zinc/45/04/32/853450432.db2.gz WWCAJNFDOFMBIN-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001050900306 853480177 /nfs/dbraw/zinc/48/01/77/853480177.db2.gz HGHRYNMDWGQJTQ-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001050900306 853480178 /nfs/dbraw/zinc/48/01/78/853480178.db2.gz HGHRYNMDWGQJTQ-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001050897500 853480310 /nfs/dbraw/zinc/48/03/10/853480310.db2.gz IKJYPRVCVFMPOK-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001050897500 853480312 /nfs/dbraw/zinc/48/03/12/853480312.db2.gz IKJYPRVCVFMPOK-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001050914227 853484835 /nfs/dbraw/zinc/48/48/35/853484835.db2.gz YQJNIRDMEOGGIX-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001050914227 853484845 /nfs/dbraw/zinc/48/48/45/853484845.db2.gz YQJNIRDMEOGGIX-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001051494202 853597243 /nfs/dbraw/zinc/59/72/43/853597243.db2.gz FQPYDPNSFJIGAM-KOLCDFICSA-N 1 2 295.368 0.015 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051981853 853669216 /nfs/dbraw/zinc/66/92/16/853669216.db2.gz VRZXJLNBHJDMEC-ZDUSSCGKSA-N 1 2 283.441 0.754 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001052005542 853673332 /nfs/dbraw/zinc/67/33/32/853673332.db2.gz DCIQBVGIHJYTOR-GOEBONIOSA-N 1 2 289.423 0.884 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052026991 853676728 /nfs/dbraw/zinc/67/67/28/853676728.db2.gz VVYZULUQUIEGSC-HNNXBMFYSA-N 1 2 293.386 0.588 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CSC)CC1 ZINC001070936038 854105227 /nfs/dbraw/zinc/10/52/27/854105227.db2.gz CXYJPHHYSZWJIT-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CSC)CC1 ZINC001070936038 854105231 /nfs/dbraw/zinc/10/52/31/854105231.db2.gz CXYJPHHYSZWJIT-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](F)CC)CC1 ZINC001070986752 854111196 /nfs/dbraw/zinc/11/11/96/854111196.db2.gz ASFAEYMSQIWCND-CYBMUJFWSA-N 1 2 297.374 0.408 20 30 CCEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](F)CC)CC1 ZINC001070986752 854111201 /nfs/dbraw/zinc/11/12/01/854111201.db2.gz ASFAEYMSQIWCND-CYBMUJFWSA-N 1 2 297.374 0.408 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071497161 854222761 /nfs/dbraw/zinc/22/27/61/854222761.db2.gz CYCHKADUXZEUMG-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@H]1C ZINC001071497161 854222765 /nfs/dbraw/zinc/22/27/65/854222765.db2.gz CYCHKADUXZEUMG-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)cn1 ZINC001074384213 854723411 /nfs/dbraw/zinc/72/34/11/854723411.db2.gz CQRZOUMNNZENMN-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)cn1 ZINC001074384213 854723412 /nfs/dbraw/zinc/72/34/12/854723412.db2.gz CQRZOUMNNZENMN-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001098344317 854859505 /nfs/dbraw/zinc/85/95/05/854859505.db2.gz JTSPKQAULRHQFW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1cncc(C#N)n1 ZINC001098344317 854859510 /nfs/dbraw/zinc/85/95/10/854859510.db2.gz JTSPKQAULRHQFW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC=CC3)C2)nn1 ZINC001098640760 854872912 /nfs/dbraw/zinc/87/29/12/854872912.db2.gz MMDNGMLSORKXDM-HNNXBMFYSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](F)CC)C2)nn1 ZINC001098698692 854876664 /nfs/dbraw/zinc/87/66/64/854876664.db2.gz XGKPGEOLCNBLRA-CHWSQXEVSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](F)CC)C2)nn1 ZINC001098698694 854877469 /nfs/dbraw/zinc/87/74/69/854877469.db2.gz XGKPGEOLCNBLRA-QWHCGFSZSA-N 1 2 293.346 0.522 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001099298158 854926901 /nfs/dbraw/zinc/92/69/01/854926901.db2.gz UMLGNEZWLNXUGO-RNFRBKRXSA-N 1 2 299.680 0.203 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001099729178 854978920 /nfs/dbraw/zinc/97/89/20/854978920.db2.gz DERBGXXBVCAMOM-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001099729178 854978923 /nfs/dbraw/zinc/97/89/23/854978923.db2.gz DERBGXXBVCAMOM-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001100042990 855080240 /nfs/dbraw/zinc/08/02/40/855080240.db2.gz XMYRIQQJQLAXJT-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001100380112 855158180 /nfs/dbraw/zinc/15/81/80/855158180.db2.gz BXXDLJMFVCZOOE-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccncc1C#N ZINC001100380112 855158183 /nfs/dbraw/zinc/15/81/83/855158183.db2.gz BXXDLJMFVCZOOE-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)OC)c1nccn12 ZINC001101612187 855324491 /nfs/dbraw/zinc/32/44/91/855324491.db2.gz RFKHZXVPEDDTCJ-VXGBXAGGSA-N 1 2 290.367 0.676 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC001116368828 855755015 /nfs/dbraw/zinc/75/50/15/855755015.db2.gz HZBDTSYCIWHOBI-UHFFFAOYSA-N 1 2 277.324 0.488 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC001116368828 855755020 /nfs/dbraw/zinc/75/50/20/855755020.db2.gz HZBDTSYCIWHOBI-UHFFFAOYSA-N 1 2 277.324 0.488 20 30 CCEDLO C=C(C)COCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001117077848 855907110 /nfs/dbraw/zinc/90/71/10/855907110.db2.gz GYXWKGAVQGVIKL-GFCCVEGCSA-N 1 2 294.355 0.097 20 30 CCEDLO COC(=O)[C@@](C)(CO)[NH2+]CCCC1(C#N)CCOCC1 ZINC001118565137 856345649 /nfs/dbraw/zinc/34/56/49/856345649.db2.gz VFBBVLSJWFNHGD-CYBMUJFWSA-N 1 2 284.356 0.601 20 30 CCEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001118635434 856375089 /nfs/dbraw/zinc/37/50/89/856375089.db2.gz VBLWLRVCZVWVAR-SNVBAGLBSA-N 1 2 283.353 0.154 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118708798 856405453 /nfs/dbraw/zinc/40/54/53/856405453.db2.gz FGJLACYWRXEKEX-LSDHHAIUSA-N 1 2 287.363 0.546 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118708798 856405459 /nfs/dbraw/zinc/40/54/59/856405459.db2.gz FGJLACYWRXEKEX-LSDHHAIUSA-N 1 2 287.363 0.546 20 30 CCEDLO C=C(C)Cn1nnnc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001119719408 856853104 /nfs/dbraw/zinc/85/31/04/856853104.db2.gz QKMUEVMHGNLNGY-OLZOCXBDSA-N 1 2 292.387 0.549 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001323299739 912251934 /nfs/dbraw/zinc/25/19/34/912251934.db2.gz YCRHCXDDXNUEIY-STQMWFEESA-N 1 2 290.367 0.955 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(C#N)cn1 ZINC001323336738 912284145 /nfs/dbraw/zinc/28/41/45/912284145.db2.gz PTQCOXCVQSDGRJ-UHFFFAOYSA-N 1 2 255.281 0.546 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001323762115 912507153 /nfs/dbraw/zinc/50/71/53/912507153.db2.gz GEXGKASDBAYEOE-MJBXVCDLSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001323762115 912507168 /nfs/dbraw/zinc/50/71/68/912507168.db2.gz GEXGKASDBAYEOE-MJBXVCDLSA-N 1 2 291.395 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](C/C=C\Cl)C1 ZINC001393426148 912565883 /nfs/dbraw/zinc/56/58/83/912565883.db2.gz HSFLBVOTOZQGOY-CLZWFORCSA-N 1 2 285.775 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](C/C=C\Cl)C1 ZINC001393426148 912565893 /nfs/dbraw/zinc/56/58/93/912565893.db2.gz HSFLBVOTOZQGOY-CLZWFORCSA-N 1 2 285.775 0.842 20 30 CCEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC001324747138 913014430 /nfs/dbraw/zinc/01/44/30/913014430.db2.gz YGPFDOXGVOJSDQ-SOUVJXGZSA-N 1 2 295.383 0.776 20 30 CCEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC001324747138 913014452 /nfs/dbraw/zinc/01/44/52/913014452.db2.gz YGPFDOXGVOJSDQ-SOUVJXGZSA-N 1 2 295.383 0.776 20 30 CCEDLO C#CCCCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001324808148 913045223 /nfs/dbraw/zinc/04/52/23/913045223.db2.gz GJWUQSFZRLMXQW-UHFFFAOYSA-N 1 2 298.346 0.870 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cn2cnc(C(=O)OC)n2)C1 ZINC001325206632 913278941 /nfs/dbraw/zinc/27/89/41/913278941.db2.gz WKPXFXYCZWZOAC-JTQLQIEISA-N 1 2 266.301 0.299 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cn2cnc(C(=O)OC)n2)C1 ZINC001325206632 913278961 /nfs/dbraw/zinc/27/89/61/913278961.db2.gz WKPXFXYCZWZOAC-JTQLQIEISA-N 1 2 266.301 0.299 20 30 CCEDLO C=C1CCC(C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)CC1 ZINC001325259918 913304241 /nfs/dbraw/zinc/30/42/41/913304241.db2.gz UUUUUFHBWDVDFI-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001325264020 913307904 /nfs/dbraw/zinc/30/79/04/913307904.db2.gz KXCQAUQZDJLDJM-CHWSQXEVSA-N 1 2 284.400 0.787 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862015 891403513 /nfs/dbraw/zinc/40/35/13/891403513.db2.gz HXRWIUWCHOINSG-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862015 891403519 /nfs/dbraw/zinc/40/35/19/891403519.db2.gz HXRWIUWCHOINSG-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001480883722 891548887 /nfs/dbraw/zinc/54/88/87/891548887.db2.gz LQUFLTFNBBNTKO-BFHYXJOUSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001480883722 891548894 /nfs/dbraw/zinc/54/88/94/891548894.db2.gz LQUFLTFNBBNTKO-BFHYXJOUSA-N 1 2 291.395 0.220 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)(F)F ZINC001480910527 891750514 /nfs/dbraw/zinc/75/05/14/891750514.db2.gz WROHJUGPWWUWBY-UHFFFAOYSA-N 1 2 277.315 0.382 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)(F)F ZINC001480910527 891750522 /nfs/dbraw/zinc/75/05/22/891750522.db2.gz WROHJUGPWWUWBY-UHFFFAOYSA-N 1 2 277.315 0.382 20 30 CCEDLO CC(C)[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481060824 892120434 /nfs/dbraw/zinc/12/04/34/892120434.db2.gz YEHWIJYBJLWVRQ-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481060824 892120440 /nfs/dbraw/zinc/12/04/40/892120440.db2.gz YEHWIJYBJLWVRQ-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481102547 892164721 /nfs/dbraw/zinc/16/47/21/892164721.db2.gz MEUPVOGSGBYZMT-LBPRGKRZSA-N 1 2 261.329 0.235 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001481527400 892773659 /nfs/dbraw/zinc/77/36/59/892773659.db2.gz BINNQLFFYXEMEB-XQQFMLRXSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001481527400 892773669 /nfs/dbraw/zinc/77/36/69/892773669.db2.gz BINNQLFFYXEMEB-XQQFMLRXSA-N 1 2 279.384 0.525 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCCOCC=C)C1 ZINC001481552318 892816483 /nfs/dbraw/zinc/81/64/83/892816483.db2.gz NBIGPVSRJYTASX-UHFFFAOYSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCCCCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001481621977 892920004 /nfs/dbraw/zinc/92/00/04/892920004.db2.gz XVCPDJQCCPXHMT-LLVKDONJSA-N 1 2 265.357 0.102 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001481677201 892991073 /nfs/dbraw/zinc/99/10/73/892991073.db2.gz YAVTYOQGFDNMPC-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001481677201 892991081 /nfs/dbraw/zinc/99/10/81/892991081.db2.gz YAVTYOQGFDNMPC-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001481687605 893009256 /nfs/dbraw/zinc/00/92/56/893009256.db2.gz HRQQCESGPSYAGJ-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001481687605 893009276 /nfs/dbraw/zinc/00/92/76/893009276.db2.gz HRQQCESGPSYAGJ-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001481707106 893051709 /nfs/dbraw/zinc/05/17/09/893051709.db2.gz DBLFBGNDCKLMLE-HZSPNIEDSA-N 1 2 291.395 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001481707106 893051730 /nfs/dbraw/zinc/05/17/30/893051730.db2.gz DBLFBGNDCKLMLE-HZSPNIEDSA-N 1 2 291.395 0.525 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001481776072 893138491 /nfs/dbraw/zinc/13/84/91/893138491.db2.gz VPGQVNWDFHZHRM-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO N#CCNCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482033685 893320724 /nfs/dbraw/zinc/32/07/24/893320724.db2.gz NUOYJICOMUTAEW-UHFFFAOYSA-N 1 2 283.335 0.882 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CCC)OC)C1 ZINC001482194149 893496398 /nfs/dbraw/zinc/49/63/98/893496398.db2.gz AXUQCNKIWGWODM-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](CCC)OC)C1 ZINC001482194149 893496415 /nfs/dbraw/zinc/49/64/15/893496415.db2.gz AXUQCNKIWGWODM-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001482620014 894425725 /nfs/dbraw/zinc/42/57/25/894425725.db2.gz IBTVAPZIKRRFSR-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001482620014 894425732 /nfs/dbraw/zinc/42/57/32/894425732.db2.gz IBTVAPZIKRRFSR-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CSCC#N ZINC001483311216 895421122 /nfs/dbraw/zinc/42/11/22/895421122.db2.gz JFALTGOGEFPOTI-NSHDSACASA-N 1 2 295.412 0.613 20 30 CCEDLO C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CSCC#N ZINC001483311216 895421130 /nfs/dbraw/zinc/42/11/30/895421130.db2.gz JFALTGOGEFPOTI-NSHDSACASA-N 1 2 295.412 0.613 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001483631248 895751612 /nfs/dbraw/zinc/75/16/12/895751612.db2.gz SRWRNUZERMXONX-CHWSQXEVSA-N 1 2 277.368 0.281 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001483631248 895751625 /nfs/dbraw/zinc/75/16/25/895751625.db2.gz SRWRNUZERMXONX-CHWSQXEVSA-N 1 2 277.368 0.281 20 30 CCEDLO Cc1cccn2cc(CC(=O)NC[C@@H]3CCN3CC#N)[nH+]c12 ZINC001483688844 895859365 /nfs/dbraw/zinc/85/93/65/895859365.db2.gz QXHJMXJYXGKXKU-AWEZNQCLSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)N1CCCC1=O ZINC001483705290 895886433 /nfs/dbraw/zinc/88/64/33/895886433.db2.gz OHQGDJASCIOYKM-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)N1CCCC1=O ZINC001483705290 895886440 /nfs/dbraw/zinc/88/64/40/895886440.db2.gz OHQGDJASCIOYKM-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2ccn(C)n2)C1 ZINC001483864826 896086947 /nfs/dbraw/zinc/08/69/47/896086947.db2.gz OYRGMRTZVZNADX-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)on1 ZINC001484038409 896163375 /nfs/dbraw/zinc/16/33/75/896163375.db2.gz VIOUEBLXARZTBS-QMTHXVAHSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)on1 ZINC001484038409 896163389 /nfs/dbraw/zinc/16/33/89/896163389.db2.gz VIOUEBLXARZTBS-QMTHXVAHSA-N 1 2 292.339 0.923 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001484277462 896305101 /nfs/dbraw/zinc/30/51/01/896305101.db2.gz HEMZRPKEZUCMRS-UHFFFAOYSA-N 1 2 262.353 0.363 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(C)CCC2)C1 ZINC001484288738 896316562 /nfs/dbraw/zinc/31/65/62/896316562.db2.gz FGCGGIDWIUHVHN-UHFFFAOYSA-N 1 2 250.342 0.363 20 30 CCEDLO C=CCN1CCOC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001326646835 914073822 /nfs/dbraw/zinc/07/38/22/914073822.db2.gz GJCMRGSOAUDGFA-ZDUSSCGKSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC001485497509 897085270 /nfs/dbraw/zinc/08/52/70/897085270.db2.gz OYJBBDBNAISUGS-SNVBAGLBSA-N 1 2 292.339 0.027 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107820668 897328029 /nfs/dbraw/zinc/32/80/29/897328029.db2.gz ARQUYGVXNNCDJL-TZMCWYRMSA-N 1 2 263.341 0.376 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107820668 897328046 /nfs/dbraw/zinc/32/80/46/897328046.db2.gz ARQUYGVXNNCDJL-TZMCWYRMSA-N 1 2 263.341 0.376 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107833259 897329392 /nfs/dbraw/zinc/32/93/92/897329392.db2.gz FUFUVPNINIARGB-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107833259 897329407 /nfs/dbraw/zinc/32/94/07/897329407.db2.gz FUFUVPNINIARGB-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001032404756 897466738 /nfs/dbraw/zinc/46/67/38/897466738.db2.gz WRVWAIYHUYKFFI-MELADBBJSA-N 1 2 284.363 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001032404756 897466749 /nfs/dbraw/zinc/46/67/49/897466749.db2.gz WRVWAIYHUYKFFI-MELADBBJSA-N 1 2 284.363 0.748 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cncnc2)C1 ZINC001107904620 897476604 /nfs/dbraw/zinc/47/66/04/897476604.db2.gz CZKVLFUWJDAKEX-HNNXBMFYSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cncnc2)C1 ZINC001107904620 897476619 /nfs/dbraw/zinc/47/66/19/897476619.db2.gz CZKVLFUWJDAKEX-HNNXBMFYSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001107908562 897484353 /nfs/dbraw/zinc/48/43/53/897484353.db2.gz PKFLMMRVXWNZED-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001107908562 897484371 /nfs/dbraw/zinc/48/43/71/897484371.db2.gz PKFLMMRVXWNZED-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908023 897488697 /nfs/dbraw/zinc/48/86/97/897488697.db2.gz FWFNFGKRSSVLQF-DZGCQCFKSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001107908023 897488699 /nfs/dbraw/zinc/48/86/99/897488699.db2.gz FWFNFGKRSSVLQF-DZGCQCFKSA-N 1 2 282.384 0.805 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107916069 897492551 /nfs/dbraw/zinc/49/25/51/897492551.db2.gz BPKRTPSTBRIDTG-UKRRQHHQSA-N 1 2 282.384 0.234 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107916069 897492557 /nfs/dbraw/zinc/49/25/57/897492557.db2.gz BPKRTPSTBRIDTG-UKRRQHHQSA-N 1 2 282.384 0.234 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)(C)C)n1 ZINC001032416359 897523088 /nfs/dbraw/zinc/52/30/88/897523088.db2.gz CXVFZJAXTJYSGD-QWRGUYRKSA-N 1 2 290.371 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)(C)C)n1 ZINC001032416359 897523098 /nfs/dbraw/zinc/52/30/98/897523098.db2.gz CXVFZJAXTJYSGD-QWRGUYRKSA-N 1 2 290.371 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCCC2 ZINC001032431225 897549682 /nfs/dbraw/zinc/54/96/82/897549682.db2.gz YTSCNVYRPRMCAF-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCCC2 ZINC001032431225 897549697 /nfs/dbraw/zinc/54/96/97/897549697.db2.gz YTSCNVYRPRMCAF-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)nn1C ZINC001032430011 897555002 /nfs/dbraw/zinc/55/50/02/897555002.db2.gz UITVIWXMDYHKNK-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)nn1C ZINC001032430011 897555019 /nfs/dbraw/zinc/55/50/19/897555019.db2.gz UITVIWXMDYHKNK-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001032482869 897633114 /nfs/dbraw/zinc/63/31/14/897633114.db2.gz MNXXJUMDEFHKJL-UBHSHLNASA-N 1 2 285.351 0.254 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccn21 ZINC001032517183 897685640 /nfs/dbraw/zinc/68/56/40/897685640.db2.gz JURKZLXICLKMCW-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccn21 ZINC001032517183 897685650 /nfs/dbraw/zinc/68/56/50/897685650.db2.gz JURKZLXICLKMCW-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OC)n1 ZINC001032542123 897725106 /nfs/dbraw/zinc/72/51/06/897725106.db2.gz LGAFTTYUQFAJOU-UWVGGRQHSA-N 1 2 263.297 0.768 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OC)n1 ZINC001032542123 897725112 /nfs/dbraw/zinc/72/51/12/897725112.db2.gz LGAFTTYUQFAJOU-UWVGGRQHSA-N 1 2 263.297 0.768 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nocc1C ZINC001032717915 897968042 /nfs/dbraw/zinc/96/80/42/897968042.db2.gz YVWSZEPJUMMGFQ-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nocc1C ZINC001032717915 897968052 /nfs/dbraw/zinc/96/80/52/897968052.db2.gz YVWSZEPJUMMGFQ-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001077844943 897975085 /nfs/dbraw/zinc/97/50/85/897975085.db2.gz CLIREWDJUSZSTL-ZYHUDNBSSA-N 1 2 293.392 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001077844943 897975095 /nfs/dbraw/zinc/97/50/95/897975095.db2.gz CLIREWDJUSZSTL-ZYHUDNBSSA-N 1 2 293.392 0.675 20 30 CCEDLO COCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001272843682 898067952 /nfs/dbraw/zinc/06/79/52/898067952.db2.gz UFDKZISDCPYMMZ-ZIAGYGMSSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)C#N ZINC001272843682 898067968 /nfs/dbraw/zinc/06/79/68/898067968.db2.gz UFDKZISDCPYMMZ-ZIAGYGMSSA-N 1 2 297.399 0.780 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001272841902 898073060 /nfs/dbraw/zinc/07/30/60/898073060.db2.gz AIDYNYYYEOYJFM-QWHCGFSZSA-N 1 2 283.372 0.390 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001272841902 898073072 /nfs/dbraw/zinc/07/30/72/898073072.db2.gz AIDYNYYYEOYJFM-QWHCGFSZSA-N 1 2 283.372 0.390 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001272842388 898073398 /nfs/dbraw/zinc/07/33/98/898073398.db2.gz DJXQIJZZLLSSES-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001272842388 898073406 /nfs/dbraw/zinc/07/34/06/898073406.db2.gz DJXQIJZZLLSSES-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc[nH]c12 ZINC001032752417 898085188 /nfs/dbraw/zinc/08/51/88/898085188.db2.gz KVXZDEQQOBMKQE-QWRGUYRKSA-N 1 2 269.308 0.194 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cc[nH]c12 ZINC001032752417 898085201 /nfs/dbraw/zinc/08/52/01/898085201.db2.gz KVXZDEQQOBMKQE-QWRGUYRKSA-N 1 2 269.308 0.194 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272889945 898127938 /nfs/dbraw/zinc/12/79/38/898127938.db2.gz XCGLELXULRHCQH-GFCCVEGCSA-N 1 2 278.352 0.401 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2OC)C1 ZINC001078045032 898204541 /nfs/dbraw/zinc/20/45/41/898204541.db2.gz ZNVMBXFLHWXMKZ-NXEZZACHSA-N 1 2 282.365 0.718 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2OC)C1 ZINC001078045032 898204556 /nfs/dbraw/zinc/20/45/56/898204556.db2.gz ZNVMBXFLHWXMKZ-NXEZZACHSA-N 1 2 282.365 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001078101438 898234227 /nfs/dbraw/zinc/23/42/27/898234227.db2.gz MVOQNEPJRHOSOQ-HUUCEWRRSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001078101438 898234246 /nfs/dbraw/zinc/23/42/46/898234246.db2.gz MVOQNEPJRHOSOQ-HUUCEWRRSA-N 1 2 288.347 0.493 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001078130737 898251153 /nfs/dbraw/zinc/25/11/53/898251153.db2.gz KZEMAEREKKPEIH-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C=C[C@@H](COC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001327259957 914449323 /nfs/dbraw/zinc/44/93/23/914449323.db2.gz VZMZJXJWSHTXHQ-LBPRGKRZSA-N 1 2 294.355 0.049 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001490494646 900639252 /nfs/dbraw/zinc/63/92/52/900639252.db2.gz MKCUCKWWYOMXDH-XHSDSOJGSA-N 1 2 289.423 0.790 20 30 CCEDLO CC(C)(C)/C=C/C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490530759 900648986 /nfs/dbraw/zinc/64/89/86/900648986.db2.gz JMAULUVPFBEGGB-FUEXJSSKSA-N 1 2 292.383 0.419 20 30 CCEDLO CC(C)(C)/C=C/C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490530759 900648999 /nfs/dbraw/zinc/64/89/99/900648999.db2.gz JMAULUVPFBEGGB-FUEXJSSKSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC001490537467 900652858 /nfs/dbraw/zinc/65/28/58/900652858.db2.gz YEKVPJFWOVJHLM-CYBMUJFWSA-N 1 2 291.351 0.315 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC001490537467 900652863 /nfs/dbraw/zinc/65/28/63/900652863.db2.gz YEKVPJFWOVJHLM-CYBMUJFWSA-N 1 2 291.351 0.315 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)COC ZINC001490786489 900725833 /nfs/dbraw/zinc/72/58/33/900725833.db2.gz QOUDHUNCMSABNY-KFWWJZLASA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)COC ZINC001490786489 900725836 /nfs/dbraw/zinc/72/58/36/900725836.db2.gz QOUDHUNCMSABNY-KFWWJZLASA-N 1 2 294.395 0.594 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nonc1C)CC2 ZINC001273986890 900834701 /nfs/dbraw/zinc/83/47/01/900834701.db2.gz XFEOCQFOBQWCBT-GFCCVEGCSA-N 1 2 288.351 0.730 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001327349589 914489131 /nfs/dbraw/zinc/48/91/31/914489131.db2.gz KOKJCMDGWUNRCI-AWEZNQCLSA-N 1 2 274.364 0.935 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)CSCC#N)o1 ZINC001321790110 900984780 /nfs/dbraw/zinc/98/47/80/900984780.db2.gz MMORPUZYHVBQAL-IUCAKERBSA-N 1 2 297.384 0.790 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)COC)CO2 ZINC001327397061 914517637 /nfs/dbraw/zinc/51/76/37/914517637.db2.gz MZTOSUWAPRFUMB-CYBMUJFWSA-N 1 2 294.395 0.642 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CC(C)C1 ZINC001412546031 901812927 /nfs/dbraw/zinc/81/29/27/901812927.db2.gz PRYHPTBCTMQENV-ZQDGQSPWSA-N 1 2 289.339 0.123 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CC(C)C1 ZINC001412546031 901812937 /nfs/dbraw/zinc/81/29/37/901812937.db2.gz PRYHPTBCTMQENV-ZQDGQSPWSA-N 1 2 289.339 0.123 20 30 CCEDLO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001398274242 914598179 /nfs/dbraw/zinc/59/81/79/914598179.db2.gz TXRQNRAYPHVQLI-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327537595 914602355 /nfs/dbraw/zinc/60/23/55/914602355.db2.gz FQHXSFZLXBEGED-CHWSQXEVSA-N 1 2 253.346 0.322 20 30 CCEDLO CC(C)=CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001491195333 903440578 /nfs/dbraw/zinc/44/05/78/903440578.db2.gz CKWILMXSWWGHKP-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)=CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001491195333 903440582 /nfs/dbraw/zinc/44/05/82/903440582.db2.gz CKWILMXSWWGHKP-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccn4ncc(C#N)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230963917 903932691 /nfs/dbraw/zinc/93/26/91/903932691.db2.gz CXQDBUJOROUQAY-GQTXGERZSA-N 1 2 297.318 0.592 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccn4ncc(C#N)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230963917 903932698 /nfs/dbraw/zinc/93/26/98/903932698.db2.gz CXQDBUJOROUQAY-GQTXGERZSA-N 1 2 297.318 0.592 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)COC ZINC001316604576 904120115 /nfs/dbraw/zinc/12/01/15/904120115.db2.gz ZMSKKOLTPMBJMN-GFCCVEGCSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)COC ZINC001316604576 904120123 /nfs/dbraw/zinc/12/01/23/904120123.db2.gz ZMSKKOLTPMBJMN-GFCCVEGCSA-N 1 2 252.358 0.825 20 30 CCEDLO C=CCCC(=O)N[C@H]1COC2(C[NH+]([C@H](C)COC)C2)C1 ZINC001280935191 904177765 /nfs/dbraw/zinc/17/77/65/904177765.db2.gz KEXQQMHGTSOJKA-CHWSQXEVSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001316611443 904296031 /nfs/dbraw/zinc/29/60/31/904296031.db2.gz RNCWPOOAGYAFAD-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001316611443 904296039 /nfs/dbraw/zinc/29/60/39/904296039.db2.gz RNCWPOOAGYAFAD-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CSCC#N)o1 ZINC001282095680 904412442 /nfs/dbraw/zinc/41/24/42/904412442.db2.gz MPVKUEDKRNAWJX-IUCAKERBSA-N 1 2 297.384 0.618 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282135256 904420171 /nfs/dbraw/zinc/42/01/71/904420171.db2.gz YFOZEFBHDCGMED-QWRGUYRKSA-N 1 2 294.403 0.795 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001283368387 904830038 /nfs/dbraw/zinc/83/00/38/904830038.db2.gz UXPPXZFKIWYCBP-GFCCVEGCSA-N 1 2 288.351 0.329 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001378114250 905433410 /nfs/dbraw/zinc/43/34/10/905433410.db2.gz CRWBLTZFVWWKJZ-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001378114250 905433434 /nfs/dbraw/zinc/43/34/34/905433434.db2.gz CRWBLTZFVWWKJZ-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CC(NCC#N)C1 ZINC001284771512 905434576 /nfs/dbraw/zinc/43/45/76/905434576.db2.gz UBVMCYMJEXQYSB-UHFFFAOYSA-N 1 2 261.329 0.445 20 30 CCEDLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CC(NCC#N)C1 ZINC001284771512 905434581 /nfs/dbraw/zinc/43/45/81/905434581.db2.gz UBVMCYMJEXQYSB-UHFFFAOYSA-N 1 2 261.329 0.445 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C#CC1CC1 ZINC001285086462 905543915 /nfs/dbraw/zinc/54/39/15/905543915.db2.gz CZOINNLUUKESLR-LBPRGKRZSA-N 1 2 288.351 0.377 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001380131595 906646873 /nfs/dbraw/zinc/64/68/73/906646873.db2.gz ALDOUBIBQFBNCY-UHFFFAOYSA-N 1 2 284.747 0.730 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)CC)C1 ZINC001380516159 906797697 /nfs/dbraw/zinc/79/76/97/906797697.db2.gz BXJONEGUHMLFFE-LLVKDONJSA-N 1 2 291.189 0.858 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)CC)C1 ZINC001380516159 906797709 /nfs/dbraw/zinc/79/77/09/906797709.db2.gz BXJONEGUHMLFFE-LLVKDONJSA-N 1 2 291.189 0.858 20 30 CCEDLO C=CCCC(=O)NCCN(CC)C(=O)Cn1cc[nH+]c1 ZINC001296276018 906891455 /nfs/dbraw/zinc/89/14/55/906891455.db2.gz DSHIBEWVLBYROE-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001298579394 907276148 /nfs/dbraw/zinc/27/61/48/907276148.db2.gz GBDOOQYVSHDFPI-CYBMUJFWSA-N 1 2 290.367 0.698 20 30 CCEDLO C[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001492394593 907899804 /nfs/dbraw/zinc/89/98/04/907899804.db2.gz QJSUCQYMKIJZEK-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001492394593 907899820 /nfs/dbraw/zinc/89/98/20/907899820.db2.gz QJSUCQYMKIJZEK-OLZOCXBDSA-N 1 2 294.399 0.500 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001316978517 908710478 /nfs/dbraw/zinc/71/04/78/908710478.db2.gz YWJNWZUJHCPVMO-CHWSQXEVSA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001316978517 908710484 /nfs/dbraw/zinc/71/04/84/908710484.db2.gz YWJNWZUJHCPVMO-CHWSQXEVSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001316989967 908902769 /nfs/dbraw/zinc/90/27/69/908902769.db2.gz ZQEWQJPNKXCCAT-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001316989967 908902785 /nfs/dbraw/zinc/90/27/85/908902785.db2.gz ZQEWQJPNKXCCAT-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001316995389 908906810 /nfs/dbraw/zinc/90/68/10/908906810.db2.gz WIYCGEKAFFJPCO-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001316995389 908906816 /nfs/dbraw/zinc/90/68/16/908906816.db2.gz WIYCGEKAFFJPCO-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001316992244 908906928 /nfs/dbraw/zinc/90/69/28/908906928.db2.gz CDHHPUUZPGMONA-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001316992244 908906932 /nfs/dbraw/zinc/90/69/32/908906932.db2.gz CDHHPUUZPGMONA-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO COCC#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001317299595 909125839 /nfs/dbraw/zinc/12/58/39/909125839.db2.gz JNOIZXXSBBZPTA-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001317299595 909125851 /nfs/dbraw/zinc/12/58/51/909125851.db2.gz JNOIZXXSBBZPTA-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001317445210 909212053 /nfs/dbraw/zinc/21/20/53/909212053.db2.gz XPGGSTGWCUZYJF-UHFFFAOYSA-N 1 2 278.356 0.287 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001317445210 909212070 /nfs/dbraw/zinc/21/20/70/909212070.db2.gz XPGGSTGWCUZYJF-UHFFFAOYSA-N 1 2 278.356 0.287 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520496 909285009 /nfs/dbraw/zinc/28/50/09/909285009.db2.gz NDEAKTORILWPDT-IUCAKERBSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520496 909285020 /nfs/dbraw/zinc/28/50/20/909285020.db2.gz NDEAKTORILWPDT-IUCAKERBSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001317520496 909285033 /nfs/dbraw/zinc/28/50/33/909285033.db2.gz NDEAKTORILWPDT-IUCAKERBSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001317520496 909285046 /nfs/dbraw/zinc/28/50/46/909285046.db2.gz NDEAKTORILWPDT-IUCAKERBSA-N 1 2 266.238 0.958 20 30 CCEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H](CC)OC)CC1 ZINC001317817073 909509205 /nfs/dbraw/zinc/50/92/05/909509205.db2.gz VKPOYEKNVXQHAF-OAHLLOKOSA-N 1 2 295.427 0.511 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[C@H]1CCOC1 ZINC001317823182 909510645 /nfs/dbraw/zinc/51/06/45/909510645.db2.gz SJKQBDHNKGAYJD-CQSZACIVSA-N 1 2 294.399 0.013 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H](OC)C2CC2)C1 ZINC001318020622 909582501 /nfs/dbraw/zinc/58/25/01/909582501.db2.gz WPMKUXBSMOJSNE-CYBMUJFWSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2ccn(CC)n2)C1 ZINC001318024761 909586718 /nfs/dbraw/zinc/58/67/18/909586718.db2.gz FMHVTQRYVTYGJG-UHFFFAOYSA-N 1 2 292.383 0.449 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001318059984 909604408 /nfs/dbraw/zinc/60/44/08/909604408.db2.gz AISZVBFGAWEALR-OCCSQVGLSA-N 1 2 270.373 0.396 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)CC=C)C1 ZINC001318159536 909648732 /nfs/dbraw/zinc/64/87/32/909648732.db2.gz TURQRYUAFIYJQN-UHFFFAOYSA-N 1 2 291.395 0.386 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001318210034 909665871 /nfs/dbraw/zinc/66/58/71/909665871.db2.gz UAEHLUVVUSAPPB-OTJKEOIZSA-N 1 2 288.391 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001318210034 909665874 /nfs/dbraw/zinc/66/58/74/909665874.db2.gz UAEHLUVVUSAPPB-OTJKEOIZSA-N 1 2 288.391 0.967 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CC=C)CCO1 ZINC001319297096 910082683 /nfs/dbraw/zinc/08/26/83/910082683.db2.gz LDXBAQCLFIBPSX-UONOGXRCSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C)CCO1 ZINC001319297096 910082706 /nfs/dbraw/zinc/08/27/06/910082706.db2.gz LDXBAQCLFIBPSX-UONOGXRCSA-N 1 2 282.384 0.971 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001319309501 910085111 /nfs/dbraw/zinc/08/51/11/910085111.db2.gz KZIFWGGYLSUPJD-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001319309501 910085126 /nfs/dbraw/zinc/08/51/26/910085126.db2.gz KZIFWGGYLSUPJD-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001319312070 910090179 /nfs/dbraw/zinc/09/01/79/910090179.db2.gz YSMNAEXJFFZCRQ-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001319312070 910090196 /nfs/dbraw/zinc/09/01/96/910090196.db2.gz YSMNAEXJFFZCRQ-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2cnccn2)C1 ZINC001319329856 910101021 /nfs/dbraw/zinc/10/10/21/910101021.db2.gz JCPBQNZVGOGZHS-AWEZNQCLSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2cnccn2)C1 ZINC001319329856 910101029 /nfs/dbraw/zinc/10/10/29/910101029.db2.gz JCPBQNZVGOGZHS-AWEZNQCLSA-N 1 2 290.367 0.412 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001319381900 910126576 /nfs/dbraw/zinc/12/65/76/910126576.db2.gz VTIUJLXGHIPZHK-JQWIXIFHSA-N 1 2 260.297 0.196 20 30 CCEDLO C[C@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001320058869 910439090 /nfs/dbraw/zinc/43/90/90/910439090.db2.gz MWARLKHYTRAWAW-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H]1CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001320058869 910439105 /nfs/dbraw/zinc/43/91/05/910439105.db2.gz MWARLKHYTRAWAW-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001320313932 910604273 /nfs/dbraw/zinc/60/42/73/910604273.db2.gz SDFRQVWVNHFAJF-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC001390740238 910636200 /nfs/dbraw/zinc/63/62/00/910636200.db2.gz DFZANMYZJPLCMB-CYBMUJFWSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC001390740238 910636213 /nfs/dbraw/zinc/63/62/13/910636213.db2.gz DFZANMYZJPLCMB-CYBMUJFWSA-N 1 2 294.399 0.453 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001390766837 910662908 /nfs/dbraw/zinc/66/29/08/910662908.db2.gz NIYDAXZEKWCVAG-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001390766837 910662919 /nfs/dbraw/zinc/66/29/19/910662919.db2.gz NIYDAXZEKWCVAG-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001417757349 921597812 /nfs/dbraw/zinc/59/78/12/921597812.db2.gz NNMWQEKMQNMFOC-MXWKQRLJSA-N 1 2 291.355 0.776 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cn(C)nn1 ZINC001391125044 910897538 /nfs/dbraw/zinc/89/75/38/910897538.db2.gz YJKCDZJCOXTAOT-NSHDSACASA-N 1 2 278.360 0.303 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cn(C)nn1 ZINC001391125044 910897555 /nfs/dbraw/zinc/89/75/55/910897555.db2.gz YJKCDZJCOXTAOT-NSHDSACASA-N 1 2 278.360 0.303 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC001391663910 911306926 /nfs/dbraw/zinc/30/69/26/911306926.db2.gz BNGZAQKETGOECU-UWVGGRQHSA-N 1 2 294.359 0.280 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001323197264 912172078 /nfs/dbraw/zinc/17/20/78/912172078.db2.gz CNKUXNWDDKACOQ-AAEUAGOBSA-N 1 2 258.325 0.932 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001323197264 912172090 /nfs/dbraw/zinc/17/20/90/912172090.db2.gz CNKUXNWDDKACOQ-AAEUAGOBSA-N 1 2 258.325 0.932 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)OCC)CC2)C1 ZINC001328115331 914977540 /nfs/dbraw/zinc/97/75/40/914977540.db2.gz XEYVWYNENBUBEJ-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)nn1 ZINC001399490875 915197465 /nfs/dbraw/zinc/19/74/65/915197465.db2.gz VBFFWPDPJGUQHJ-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)nn1 ZINC001399490875 915197482 /nfs/dbraw/zinc/19/74/82/915197482.db2.gz VBFFWPDPJGUQHJ-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC001328472062 915217658 /nfs/dbraw/zinc/21/76/58/915217658.db2.gz KSNHRTNQEMUIQE-ZDUSSCGKSA-N 1 2 269.308 0.608 20 30 CCEDLO N#CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCOCC1 ZINC001328658043 915338725 /nfs/dbraw/zinc/33/87/25/915338725.db2.gz UCDYPCNXUPRGIC-JTQLQIEISA-N 1 2 260.297 0.244 20 30 CCEDLO N#CCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001329037637 915612986 /nfs/dbraw/zinc/61/29/86/915612986.db2.gz FEBKFXFTEDPKGG-UHFFFAOYSA-N 1 2 266.345 0.090 20 30 CCEDLO N#CCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001329037637 915612993 /nfs/dbraw/zinc/61/29/93/915612993.db2.gz FEBKFXFTEDPKGG-UHFFFAOYSA-N 1 2 266.345 0.090 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2CC)CC1 ZINC001329209846 915746402 /nfs/dbraw/zinc/74/64/02/915746402.db2.gz NRQRDVPCOIVIMJ-UHFFFAOYSA-N 1 2 285.355 0.443 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001329692267 916131819 /nfs/dbraw/zinc/13/18/19/916131819.db2.gz AXEPZVAJWXSWJY-CQSZACIVSA-N 1 2 284.400 0.524 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)COC)C2)C1 ZINC001330159598 916443561 /nfs/dbraw/zinc/44/35/61/916443561.db2.gz GESOZXANLGCEGX-GDBMZVCRSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)COC)C2)C1 ZINC001330159598 916443572 /nfs/dbraw/zinc/44/35/72/916443572.db2.gz GESOZXANLGCEGX-GDBMZVCRSA-N 1 2 294.395 0.596 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nnc2n1CCCCC2 ZINC001330559169 916698032 /nfs/dbraw/zinc/69/80/32/916698032.db2.gz LWUTUQXPSGXMGZ-SNVBAGLBSA-N 1 2 276.344 0.295 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC001402663615 917165867 /nfs/dbraw/zinc/16/58/67/917165867.db2.gz IUCBAGVZPLTUNT-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC001402663615 917165878 /nfs/dbraw/zinc/16/58/78/917165878.db2.gz IUCBAGVZPLTUNT-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C2CC2)CCC1 ZINC001332133903 917893837 /nfs/dbraw/zinc/89/38/37/917893837.db2.gz DJQRIDNZIBZSOF-NSHDSACASA-N 1 2 266.341 0.882 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCCN1CC#N ZINC001332203017 917952541 /nfs/dbraw/zinc/95/25/41/917952541.db2.gz ZRFHOAPSXYUPMF-OLZOCXBDSA-N 1 2 275.356 0.766 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001332582861 918289676 /nfs/dbraw/zinc/28/96/76/918289676.db2.gz VWTLTZTUGRINBD-GFCCVEGCSA-N 1 2 274.324 0.014 20 30 CCEDLO CN(C(=O)CCCn1cc[nH+]c1)C1CC(NCC#N)C1 ZINC001333151204 918691775 /nfs/dbraw/zinc/69/17/75/918691775.db2.gz PAMFWMUYNRIAMJ-UHFFFAOYSA-N 1 2 275.356 0.766 20 30 CCEDLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)NCCC#N)c1=O ZINC001333183617 918715965 /nfs/dbraw/zinc/71/59/65/918715965.db2.gz LKOJZRJBYKOTOW-UHFFFAOYSA-N 1 2 292.339 0.154 20 30 CCEDLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)NCCC#N)c1=O ZINC001333183617 918715972 /nfs/dbraw/zinc/71/59/72/918715972.db2.gz LKOJZRJBYKOTOW-UHFFFAOYSA-N 1 2 292.339 0.154 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001333412753 918883958 /nfs/dbraw/zinc/88/39/58/918883958.db2.gz AWUXYJZURCQRJW-VWYCJHECSA-N 1 2 268.313 0.534 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001333412753 918883970 /nfs/dbraw/zinc/88/39/70/918883970.db2.gz AWUXYJZURCQRJW-VWYCJHECSA-N 1 2 268.313 0.534 20 30 CCEDLO C#CCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001333579739 919017391 /nfs/dbraw/zinc/01/73/91/919017391.db2.gz QQJVWWRWSQOYOC-UHFFFAOYSA-N 1 2 261.325 0.339 20 30 CCEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@H](O)CC#N)C1 ZINC001334209247 919426594 /nfs/dbraw/zinc/42/65/94/919426594.db2.gz ZSTPKXNLVNYWAC-MNOVXSKESA-N 1 2 260.359 0.160 20 30 CCEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@H](O)CC#N)C1 ZINC001334209247 919426599 /nfs/dbraw/zinc/42/65/99/919426599.db2.gz ZSTPKXNLVNYWAC-MNOVXSKESA-N 1 2 260.359 0.160 20 30 CCEDLO C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001334368265 919528838 /nfs/dbraw/zinc/52/88/38/919528838.db2.gz DTFQPVJXZRVBEZ-LBPRGKRZSA-N 1 2 294.355 0.049 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001407040107 919585948 /nfs/dbraw/zinc/58/59/48/919585948.db2.gz QHSQYQMPYKATLL-LLVKDONJSA-N 1 2 288.351 0.188 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001407205532 919663611 /nfs/dbraw/zinc/66/36/11/919663611.db2.gz OMFUMVQANHXLJP-NHYWBVRUSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001407205532 919663621 /nfs/dbraw/zinc/66/36/21/919663621.db2.gz OMFUMVQANHXLJP-NHYWBVRUSA-N 1 2 289.383 0.969 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001339947094 921891384 /nfs/dbraw/zinc/89/13/84/921891384.db2.gz FAQQGAMGALOIMD-RYUDHWBXSA-N 1 2 277.372 0.731 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001339947094 921891390 /nfs/dbraw/zinc/89/13/90/921891390.db2.gz FAQQGAMGALOIMD-RYUDHWBXSA-N 1 2 277.372 0.731 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001419008221 922568039 /nfs/dbraw/zinc/56/80/39/922568039.db2.gz CAXSASDQBTYORL-UHFFFAOYSA-N 1 2 285.775 0.313 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OCC ZINC001341595189 922573625 /nfs/dbraw/zinc/57/36/25/922573625.db2.gz SWWQORAEDFSOTC-RKDXNWHRSA-N 1 2 278.299 0.983 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001419134880 922652448 /nfs/dbraw/zinc/65/24/48/922652448.db2.gz LEPRWSFSXRZYNV-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001419134880 922652454 /nfs/dbraw/zinc/65/24/54/922652454.db2.gz LEPRWSFSXRZYNV-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001421128455 924168594 /nfs/dbraw/zinc/16/85/94/924168594.db2.gz FSOGJWFDPLIIAO-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)(C(=O)N1CC[C@](O)(CC#N)C1)c1c[nH+]c[nH]1 ZINC001349455262 924965469 /nfs/dbraw/zinc/96/54/69/924965469.db2.gz KAYDJUOMDKYJHD-CYBMUJFWSA-N 1 2 262.313 0.564 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC001349636587 925009109 /nfs/dbraw/zinc/00/91/09/925009109.db2.gz MBXQOCMAANLSOU-CMPLNLGQSA-N 1 2 251.330 0.658 20 30 CCEDLO C#CCCN(CCOC)C(=O)CCc1[nH+]ccn1C ZINC001350101757 925130444 /nfs/dbraw/zinc/13/04/44/925130444.db2.gz ZNQQLRWXTVRSTM-UHFFFAOYSA-N 1 2 263.341 0.851 20 30 CCEDLO C#CC1(O)CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC001350842428 925294185 /nfs/dbraw/zinc/29/41/85/925294185.db2.gz NWQQEDJEJRPKTE-GFCCVEGCSA-N 1 2 276.340 0.441 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352310891 925558210 /nfs/dbraw/zinc/55/82/10/925558210.db2.gz VTHZXUATBIKDAP-ZOWXZIJZSA-N 1 2 291.399 0.668 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001352310891 925558214 /nfs/dbraw/zinc/55/82/14/925558214.db2.gz VTHZXUATBIKDAP-ZOWXZIJZSA-N 1 2 291.399 0.668 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480452622 925751463 /nfs/dbraw/zinc/75/14/63/925751463.db2.gz NSQTZTXPMUVPJV-IINYFYTJSA-N 1 2 296.371 0.553 20 30 CCEDLO C=CCNC(=O)Cc1noc(C2([NH+](C)C)CC2)n1 ZINC001353617003 925885363 /nfs/dbraw/zinc/88/53/63/925885363.db2.gz LTNKNWXLWLTVFR-UHFFFAOYSA-N 1 2 250.302 0.465 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001353771485 925928535 /nfs/dbraw/zinc/92/85/35/925928535.db2.gz UUZZCRABIVTOAX-TXEJJXNPSA-N 1 2 288.351 0.375 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001355920726 926325903 /nfs/dbraw/zinc/32/59/03/926325903.db2.gz WQCGOUJGUKHRMQ-RYUDHWBXSA-N 1 2 277.372 0.824 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001355920726 926325908 /nfs/dbraw/zinc/32/59/08/926325908.db2.gz WQCGOUJGUKHRMQ-RYUDHWBXSA-N 1 2 277.372 0.824 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)cc1 ZINC001356152641 926350023 /nfs/dbraw/zinc/35/00/23/926350023.db2.gz DUFZNQWOZCSMHV-UHFFFAOYSA-N 1 2 276.361 0.818 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nn1C ZINC001421304592 926664776 /nfs/dbraw/zinc/66/47/76/926664776.db2.gz HVCZYJGQIAVEJR-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nn1C ZINC001421304592 926664780 /nfs/dbraw/zinc/66/47/80/926664780.db2.gz HVCZYJGQIAVEJR-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cncn2)C1 ZINC001421366828 926701923 /nfs/dbraw/zinc/70/19/23/926701923.db2.gz ZKVSYLLZKKXJQI-GFCCVEGCSA-N 1 2 297.790 0.953 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cncn2)C1 ZINC001421366828 926701935 /nfs/dbraw/zinc/70/19/35/926701935.db2.gz ZKVSYLLZKKXJQI-GFCCVEGCSA-N 1 2 297.790 0.953 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001358591288 926757769 /nfs/dbraw/zinc/75/77/69/926757769.db2.gz KHDDPPIFVOESAB-LBPRGKRZSA-N 1 2 276.340 0.636 20 30 CCEDLO Cc1[nH]c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[nH+]c1C ZINC001414033874 926879149 /nfs/dbraw/zinc/87/91/49/926879149.db2.gz HWRKXFIJTZCRKH-WCQYABFASA-N 1 2 294.380 0.397 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC(C)(C)OC)CC1 ZINC001359029675 926885044 /nfs/dbraw/zinc/88/50/44/926885044.db2.gz DUGCRXRDJIIXCH-UHFFFAOYSA-N 1 2 291.399 0.767 20 30 CCEDLO CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001422790828 927515812 /nfs/dbraw/zinc/51/58/12/927515812.db2.gz CVCNQZXUYDWCCT-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001422790828 927515817 /nfs/dbraw/zinc/51/58/17/927515817.db2.gz CVCNQZXUYDWCCT-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422868141 927559761 /nfs/dbraw/zinc/55/97/61/927559761.db2.gz LYDZLFUFCWGPRD-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422868141 927559767 /nfs/dbraw/zinc/55/97/67/927559767.db2.gz LYDZLFUFCWGPRD-SECBINFHSA-N 1 2 286.763 0.928 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001424539243 928211127 /nfs/dbraw/zinc/21/11/27/928211127.db2.gz QHSSVGTUJWGIRJ-GHMZBOCLSA-N 1 2 289.339 0.006 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001362895572 928611519 /nfs/dbraw/zinc/61/15/19/928611519.db2.gz RLWQAUVGWPKOJW-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001362895572 928611527 /nfs/dbraw/zinc/61/15/27/928611527.db2.gz RLWQAUVGWPKOJW-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CC(C)C1 ZINC001362987802 928730082 /nfs/dbraw/zinc/73/00/82/928730082.db2.gz PGEWBECKZLXNRL-GOSTWBGLSA-N 1 2 290.323 0.550 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CC(C)C1 ZINC001362987802 928730088 /nfs/dbraw/zinc/73/00/88/928730088.db2.gz PGEWBECKZLXNRL-GOSTWBGLSA-N 1 2 290.323 0.550 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001363206782 928975752 /nfs/dbraw/zinc/97/57/52/928975752.db2.gz OUCYFZJCDLZBGA-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001363206782 928975762 /nfs/dbraw/zinc/97/57/62/928975762.db2.gz OUCYFZJCDLZBGA-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001363459774 929262753 /nfs/dbraw/zinc/26/27/53/929262753.db2.gz UVURBRFDBLZRJA-LLVKDONJSA-N 1 2 274.324 0.634 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001429551001 929483211 /nfs/dbraw/zinc/48/32/11/929483211.db2.gz QBKLXQOKIVBRDV-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001429551001 929483218 /nfs/dbraw/zinc/48/32/18/929483218.db2.gz QBKLXQOKIVBRDV-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO N#Cc1cncc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)n1 ZINC001363729591 929526499 /nfs/dbraw/zinc/52/64/99/929526499.db2.gz TXUKJVTWDBPKIW-LBPRGKRZSA-N 1 2 287.323 0.540 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001372106568 929734238 /nfs/dbraw/zinc/73/42/38/929734238.db2.gz BOYOKPRONUORKD-MNOVXSKESA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001372106568 929734245 /nfs/dbraw/zinc/73/42/45/929734245.db2.gz BOYOKPRONUORKD-MNOVXSKESA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001372202684 929766381 /nfs/dbraw/zinc/76/63/81/929766381.db2.gz IEFNCQNCIKIYDK-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001372202684 929766390 /nfs/dbraw/zinc/76/63/90/929766390.db2.gz IEFNCQNCIKIYDK-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001372303117 929805969 /nfs/dbraw/zinc/80/59/69/929805969.db2.gz GQNQLXMFKAEUJD-LLVKDONJSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001372303117 929805972 /nfs/dbraw/zinc/80/59/72/929805972.db2.gz GQNQLXMFKAEUJD-LLVKDONJSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CCn1cnnn1)C1CC1 ZINC001372878520 929996814 /nfs/dbraw/zinc/99/68/14/929996814.db2.gz CJYXLFLBFSZKLC-UHFFFAOYSA-N 1 2 298.778 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCn1cnnn1)C1CC1 ZINC001372878520 929996828 /nfs/dbraw/zinc/99/68/28/929996828.db2.gz CJYXLFLBFSZKLC-UHFFFAOYSA-N 1 2 298.778 0.396 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446609356 930448078 /nfs/dbraw/zinc/44/80/78/930448078.db2.gz KNOIMRDAILHPQQ-JLLWLGSASA-N 1 2 277.324 0.042 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001374549174 930551931 /nfs/dbraw/zinc/55/19/31/930551931.db2.gz KOTTTXWVTKAPAW-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448068690 930804319 /nfs/dbraw/zinc/80/43/19/930804319.db2.gz RNSVOKJCJIWNNB-VHSXEESVSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448068690 930804324 /nfs/dbraw/zinc/80/43/24/930804324.db2.gz RNSVOKJCJIWNNB-VHSXEESVSA-N 1 2 288.779 0.199 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cnsn1)C1CC1 ZINC001375213171 930813876 /nfs/dbraw/zinc/81/38/76/930813876.db2.gz HJVWCWAXDAWMES-LDYMZIIASA-N 1 2 279.369 0.682 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449198859 931099148 /nfs/dbraw/zinc/09/91/48/931099148.db2.gz XHCMJSFKUKAPFO-WDEREUQCSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001449198859 931099154 /nfs/dbraw/zinc/09/91/54/931099154.db2.gz XHCMJSFKUKAPFO-WDEREUQCSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001449560052 931158277 /nfs/dbraw/zinc/15/82/77/931158277.db2.gz OSHIUQZQYLFKDK-KPPDAEKUSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001377191441 931422834 /nfs/dbraw/zinc/42/28/34/931422834.db2.gz RQOSPKDPMRJMKP-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001377191441 931422840 /nfs/dbraw/zinc/42/28/40/931422840.db2.gz RQOSPKDPMRJMKP-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C#CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(=O)[O-] ZINC001588421295 983440139 /nfs/dbraw/zinc/44/01/39/983440139.db2.gz GIKSNPCZDCUQJZ-ZDUSSCGKSA-N 1 2 296.367 0.470 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092068158 349482621 /nfs/dbraw/zinc/48/26/21/349482621.db2.gz RHOWFFNRMREEKI-NSHDSACASA-N 1 2 269.326 0.275 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092068158 349482622 /nfs/dbraw/zinc/48/26/22/349482622.db2.gz RHOWFFNRMREEKI-NSHDSACASA-N 1 2 269.326 0.275 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735752 349504650 /nfs/dbraw/zinc/50/46/50/349504650.db2.gz LPEJQXUPOAEOFN-JTQLQIEISA-N 1 2 251.311 0.306 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735752 349504651 /nfs/dbraw/zinc/50/46/51/349504651.db2.gz LPEJQXUPOAEOFN-JTQLQIEISA-N 1 2 251.311 0.306 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+](C)C(C)C ZINC000273047817 192029383 /nfs/dbraw/zinc/02/93/83/192029383.db2.gz HFJJFFHMOYZEEX-UHFFFAOYSA-N 1 2 262.375 0.044 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+](C)C(C)C ZINC000273047817 192029385 /nfs/dbraw/zinc/02/93/85/192029385.db2.gz HFJJFFHMOYZEEX-UHFFFAOYSA-N 1 2 262.375 0.044 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)C(N)=O ZINC000093137981 349527301 /nfs/dbraw/zinc/52/73/01/349527301.db2.gz OUNQDOUUELJUJR-VIFPVBQESA-N 1 2 251.286 0.473 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)C(N)=O ZINC000093137981 349527304 /nfs/dbraw/zinc/52/73/04/349527304.db2.gz OUNQDOUUELJUJR-VIFPVBQESA-N 1 2 251.286 0.473 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617486461 365649178 /nfs/dbraw/zinc/64/91/78/365649178.db2.gz UAPCJEDGFMXSII-LBPRGKRZSA-N 1 2 261.325 0.845 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000600427561 361959270 /nfs/dbraw/zinc/95/92/70/361959270.db2.gz ZPSNUGUEDKTLMT-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000600427561 361959277 /nfs/dbraw/zinc/95/92/77/361959277.db2.gz ZPSNUGUEDKTLMT-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccc(C#N)cc1 ZINC000600426717 361959775 /nfs/dbraw/zinc/95/97/75/361959775.db2.gz SOFVVWVSTONALL-CYBMUJFWSA-N 1 2 289.335 0.384 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)COc1ccc(C#N)cc1 ZINC000600426717 361959778 /nfs/dbraw/zinc/95/97/78/361959778.db2.gz SOFVVWVSTONALL-CYBMUJFWSA-N 1 2 289.335 0.384 20 30 CCEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CC(=O)NC1=O)C2 ZINC000600887128 362088887 /nfs/dbraw/zinc/08/88/87/362088887.db2.gz PUAOXIQHZXTOKI-ZDUSSCGKSA-N 1 2 269.304 0.526 20 30 CCEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CC(=O)NC1=O)C2 ZINC000600887128 362088888 /nfs/dbraw/zinc/08/88/88/362088888.db2.gz PUAOXIQHZXTOKI-ZDUSSCGKSA-N 1 2 269.304 0.526 20 30 CCEDLO N#CCCN1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000600890608 362089938 /nfs/dbraw/zinc/08/99/38/362089938.db2.gz KGDRPUBTQQCIBX-UHFFFAOYSA-N 1 2 276.344 0.124 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCSC2)C1 ZINC000330148832 529787864 /nfs/dbraw/zinc/78/78/64/529787864.db2.gz JSCDZKMGDUGYKB-GHMZBOCLSA-N 1 2 273.402 0.716 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCSC2)C1 ZINC000330148832 529787865 /nfs/dbraw/zinc/78/78/65/529787865.db2.gz JSCDZKMGDUGYKB-GHMZBOCLSA-N 1 2 273.402 0.716 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000049001016 260202928 /nfs/dbraw/zinc/20/29/28/260202928.db2.gz DHUAWZPZBRIMCU-VHSXEESVSA-N 1 2 254.334 0.701 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000049001016 260202932 /nfs/dbraw/zinc/20/29/32/260202932.db2.gz DHUAWZPZBRIMCU-VHSXEESVSA-N 1 2 254.334 0.701 20 30 CCEDLO CN(CCc1cnccn1)C(=O)NCC[NH+]1CCOCC1 ZINC000329113735 529937952 /nfs/dbraw/zinc/93/79/52/529937952.db2.gz SAFOXMDTNDDYCY-UHFFFAOYSA-N 1 2 293.371 0.197 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CC[C@](F)(C#N)C2)[nH+]1 ZINC000602143331 362521668 /nfs/dbraw/zinc/52/16/68/362521668.db2.gz SEHDGUMFBAFFKT-LBPRGKRZSA-N 1 2 250.277 0.979 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]n1CCC#N ZINC000602131357 362509561 /nfs/dbraw/zinc/50/95/61/362509561.db2.gz BOHFMATXQXMUNR-LBPRGKRZSA-N 1 2 275.356 0.950 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]n1CCC#N ZINC000602131357 362509566 /nfs/dbraw/zinc/50/95/66/362509566.db2.gz BOHFMATXQXMUNR-LBPRGKRZSA-N 1 2 275.356 0.950 20 30 CCEDLO CO[C@]1(C[N@H+](CCC#N)CCN2CCOCC2)CCOC1 ZINC000602423083 362609473 /nfs/dbraw/zinc/60/94/73/362609473.db2.gz CKZHHOPYJXUWBZ-HNNXBMFYSA-N 1 2 297.399 0.340 20 30 CCEDLO CO[C@]1(C[N@@H+](CCC#N)CCN2CCOCC2)CCOC1 ZINC000602423083 362609478 /nfs/dbraw/zinc/60/94/78/362609478.db2.gz CKZHHOPYJXUWBZ-HNNXBMFYSA-N 1 2 297.399 0.340 20 30 CCEDLO CO[C@]1(CN(CCC#N)CC[NH+]2CCOCC2)CCOC1 ZINC000602423083 362609484 /nfs/dbraw/zinc/60/94/84/362609484.db2.gz CKZHHOPYJXUWBZ-HNNXBMFYSA-N 1 2 297.399 0.340 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)C(N)=O ZINC000119934663 349961847 /nfs/dbraw/zinc/96/18/47/349961847.db2.gz MBTOTKVCAZEWHO-VIFPVBQESA-N 1 2 267.354 0.942 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)C(N)=O ZINC000119934663 349961848 /nfs/dbraw/zinc/96/18/48/349961848.db2.gz MBTOTKVCAZEWHO-VIFPVBQESA-N 1 2 267.354 0.942 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602761302 362787676 /nfs/dbraw/zinc/78/76/76/362787676.db2.gz GMFHZYDHHXAGRP-UHFFFAOYSA-N 1 2 286.401 0.104 20 30 CCEDLO COC(=O)[C@H](C1CC1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856308 362843156 /nfs/dbraw/zinc/84/31/56/362843156.db2.gz YRMIIVVKWFHUNE-WZRBSPASSA-N 1 2 265.357 0.856 20 30 CCEDLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856306 362843714 /nfs/dbraw/zinc/84/37/14/362843714.db2.gz YRMIIVVKWFHUNE-LOWVWBTDSA-N 1 2 265.357 0.856 20 30 CCEDLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856306 362843721 /nfs/dbraw/zinc/84/37/21/362843721.db2.gz YRMIIVVKWFHUNE-LOWVWBTDSA-N 1 2 265.357 0.856 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000602859785 362845131 /nfs/dbraw/zinc/84/51/31/362845131.db2.gz AOILFCLGVPCMIH-UWVGGRQHSA-N 1 2 266.345 0.004 20 30 CCEDLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)CC#N)C(=O)OC ZINC000602861219 362845551 /nfs/dbraw/zinc/84/55/51/362845551.db2.gz FQYFSTISKDICKL-NHCYSSNCSA-N 1 2 269.345 0.582 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000602859778 362846041 /nfs/dbraw/zinc/84/60/41/362846041.db2.gz AOILFCLGVPCMIH-NXEZZACHSA-N 1 2 266.345 0.004 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cscn2)c1C#N ZINC000535507565 290832792 /nfs/dbraw/zinc/83/27/92/290832792.db2.gz OQQPREXHODFDLL-UHFFFAOYSA-N 1 2 290.352 0.564 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)s1 ZINC000343123049 137116456 /nfs/dbraw/zinc/11/64/56/137116456.db2.gz HRGIEDABAUXQTR-UHFFFAOYSA-N 1 2 265.338 0.370 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000339366361 215126929 /nfs/dbraw/zinc/12/69/29/215126929.db2.gz MQUKKAZEMGAURE-GFCCVEGCSA-N 1 2 265.288 0.629 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000339366361 215126930 /nfs/dbraw/zinc/12/69/30/215126930.db2.gz MQUKKAZEMGAURE-GFCCVEGCSA-N 1 2 265.288 0.629 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000017306732 348053897 /nfs/dbraw/zinc/05/38/97/348053897.db2.gz PFCKBJSCLCZPCG-UHFFFAOYSA-N 1 2 294.399 0.785 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000017306732 348053901 /nfs/dbraw/zinc/05/39/01/348053901.db2.gz PFCKBJSCLCZPCG-UHFFFAOYSA-N 1 2 294.399 0.785 20 30 CCEDLO CS(=O)(=O)NCCC/[NH+]=C/c1cccc(O)c1O ZINC000028185578 348105917 /nfs/dbraw/zinc/10/59/17/348105917.db2.gz CEJCCVRAHIMVER-XYOKQWHBSA-N 1 2 272.326 0.456 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000602871170 362852847 /nfs/dbraw/zinc/85/28/47/362852847.db2.gz YRESYZSUEFPDSO-SECBINFHSA-N 1 2 252.318 0.647 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000602899740 362874084 /nfs/dbraw/zinc/87/40/84/362874084.db2.gz RMFHFECVRRTFFP-ONGXEEELSA-N 1 2 253.327 0.332 20 30 CCEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000602899740 362874089 /nfs/dbraw/zinc/87/40/89/362874089.db2.gz RMFHFECVRRTFFP-ONGXEEELSA-N 1 2 253.327 0.332 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042396668 348277923 /nfs/dbraw/zinc/27/79/23/348277923.db2.gz PAZBOJXYLDMRFG-SDDRHHMPSA-N 1 2 285.413 0.857 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042396668 348277925 /nfs/dbraw/zinc/27/79/25/348277925.db2.gz PAZBOJXYLDMRFG-SDDRHHMPSA-N 1 2 285.413 0.857 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](OC)C[C@]2(C)C(=O)OC)C1=O ZINC000602945888 362902890 /nfs/dbraw/zinc/90/28/90/362902890.db2.gz SLLQRRAJIGKZDA-TYNCELHUSA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](OC)C[C@]2(C)C(=O)OC)C1=O ZINC000602945888 362902895 /nfs/dbraw/zinc/90/28/95/362902895.db2.gz SLLQRRAJIGKZDA-TYNCELHUSA-N 1 2 296.367 0.426 20 30 CCEDLO C[N@H+](CC(=O)N1CCNC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602973814 362915980 /nfs/dbraw/zinc/91/59/80/362915980.db2.gz FSHJTWWNWDUZHV-ZJUUUORDSA-N 1 2 250.302 0.162 20 30 CCEDLO C[N@@H+](CC(=O)N1CCNC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602973814 362915985 /nfs/dbraw/zinc/91/59/85/362915985.db2.gz FSHJTWWNWDUZHV-ZJUUUORDSA-N 1 2 250.302 0.162 20 30 CCEDLO Cn1c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc(=O)n(C)c1=O ZINC000602976438 362917583 /nfs/dbraw/zinc/91/75/83/362917583.db2.gz POZIXJUEJMIQQB-PWSUYJOCSA-N 1 2 276.340 0.208 20 30 CCEDLO Cn1c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc(=O)n(C)c1=O ZINC000602976438 362917592 /nfs/dbraw/zinc/91/75/92/362917592.db2.gz POZIXJUEJMIQQB-PWSUYJOCSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000052927854 348517429 /nfs/dbraw/zinc/51/74/29/348517429.db2.gz KFPKPWCALDXVAQ-UHFFFAOYSA-N 1 2 283.375 0.827 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000072906944 348937418 /nfs/dbraw/zinc/93/74/18/348937418.db2.gz QZFASJIMPUQPKO-OAHLLOKOSA-N 1 2 282.343 0.675 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCC)CC1 ZINC000070760101 348896677 /nfs/dbraw/zinc/89/66/77/348896677.db2.gz VSCLDIDAIBDCMT-NSHDSACASA-N 1 2 268.361 0.024 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603004135 362933325 /nfs/dbraw/zinc/93/33/25/362933325.db2.gz KYDPQCUJBWRLEG-DGCLKSJQSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603004135 362933331 /nfs/dbraw/zinc/93/33/31/362933331.db2.gz KYDPQCUJBWRLEG-DGCLKSJQSA-N 1 2 257.330 0.577 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000072701407 348928424 /nfs/dbraw/zinc/92/84/24/348928424.db2.gz MJQSJDLHPCBNGQ-BXUZGUMPSA-N 1 2 282.388 0.449 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000072701407 348928427 /nfs/dbraw/zinc/92/84/27/348928427.db2.gz MJQSJDLHPCBNGQ-BXUZGUMPSA-N 1 2 282.388 0.449 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000076570579 349087130 /nfs/dbraw/zinc/08/71/30/349087130.db2.gz PVWYPQRBCODKAY-NSHDSACASA-N 1 2 266.345 0.088 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000076570579 349087134 /nfs/dbraw/zinc/08/71/34/349087134.db2.gz PVWYPQRBCODKAY-NSHDSACASA-N 1 2 266.345 0.088 20 30 CCEDLO C=C(Cl)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000077791397 349122099 /nfs/dbraw/zinc/12/20/99/349122099.db2.gz XMBZZBKQHCFDGO-SNVBAGLBSA-N 1 2 260.769 0.284 20 30 CCEDLO C=C(Cl)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000077791397 349122100 /nfs/dbraw/zinc/12/21/00/349122100.db2.gz XMBZZBKQHCFDGO-SNVBAGLBSA-N 1 2 260.769 0.284 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201382 349170800 /nfs/dbraw/zinc/17/08/00/349170800.db2.gz BMDRSNOAPOKAHV-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCOCC1 ZINC000081658898 349279365 /nfs/dbraw/zinc/27/93/65/349279365.db2.gz QVTDVBVRIGGECZ-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000081283870 260332605 /nfs/dbraw/zinc/33/26/05/260332605.db2.gz RDUXJRQSSAGETO-YFKPBYRVSA-N 1 2 279.222 0.742 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000081283870 260332608 /nfs/dbraw/zinc/33/26/08/260332608.db2.gz RDUXJRQSSAGETO-YFKPBYRVSA-N 1 2 279.222 0.742 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000120745800 350003229 /nfs/dbraw/zinc/00/32/29/350003229.db2.gz SFJZGUBYKFMRTN-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000120745800 350003230 /nfs/dbraw/zinc/00/32/30/350003230.db2.gz SFJZGUBYKFMRTN-ZDUSSCGKSA-N 1 2 275.308 0.253 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090699 362958766 /nfs/dbraw/zinc/95/87/66/362958766.db2.gz WSGCWKPJGGRSER-YDHLFZDLSA-N 1 2 272.304 0.839 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090699 362958769 /nfs/dbraw/zinc/95/87/69/362958769.db2.gz WSGCWKPJGGRSER-YDHLFZDLSA-N 1 2 272.304 0.839 20 30 CCEDLO N#Cc1cccc(CS(=O)(=O)NCC(F)(F)C[NH3+])c1 ZINC000162641905 350748424 /nfs/dbraw/zinc/74/84/24/350748424.db2.gz NKMBBOFAJGOAJE-UHFFFAOYSA-N 1 2 289.307 0.572 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000163725606 350771005 /nfs/dbraw/zinc/77/10/05/350771005.db2.gz JVCNXAWTLRCTJS-STQMWFEESA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000163725606 350771010 /nfs/dbraw/zinc/77/10/10/350771010.db2.gz JVCNXAWTLRCTJS-STQMWFEESA-N 1 2 260.293 0.666 20 30 CCEDLO COCc1cc(C#N)ccc1N1CC[NH+](CC(N)=O)CC1 ZINC000603273911 363039863 /nfs/dbraw/zinc/03/98/63/363039863.db2.gz SOGOSAGWAKYECD-UHFFFAOYSA-N 1 2 288.351 0.312 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185970913 351468489 /nfs/dbraw/zinc/46/84/89/351468489.db2.gz ATRPJCANFPZLCW-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1C#N ZINC000191502495 351760883 /nfs/dbraw/zinc/76/08/83/351760883.db2.gz PNHJQUNSDKNYCE-CQSZACIVSA-N 1 2 261.325 0.888 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1C#N ZINC000191502495 351760888 /nfs/dbraw/zinc/76/08/88/351760888.db2.gz PNHJQUNSDKNYCE-CQSZACIVSA-N 1 2 261.325 0.888 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000249356236 352487200 /nfs/dbraw/zinc/48/72/00/352487200.db2.gz RFWITIIBZLREOF-UONOGXRCSA-N 1 2 292.379 0.901 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000249356236 352487202 /nfs/dbraw/zinc/48/72/02/352487202.db2.gz RFWITIIBZLREOF-UONOGXRCSA-N 1 2 292.379 0.901 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000270430043 352932690 /nfs/dbraw/zinc/93/26/90/352932690.db2.gz WPFKQXKFOVKYPF-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000270430043 352932691 /nfs/dbraw/zinc/93/26/91/352932691.db2.gz WPFKQXKFOVKYPF-CQSZACIVSA-N 1 2 296.392 0.958 20 30 CCEDLO C#CCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)nc1 ZINC000270924685 353003753 /nfs/dbraw/zinc/00/37/53/353003753.db2.gz JPLRFMLFOUNJDD-UHFFFAOYSA-N 1 2 283.335 0.815 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272497595 353068876 /nfs/dbraw/zinc/06/88/76/353068876.db2.gz DDHNHKRPCSGLPV-RWMBFGLXSA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272497595 353068880 /nfs/dbraw/zinc/06/88/80/353068880.db2.gz DDHNHKRPCSGLPV-RWMBFGLXSA-N 1 2 299.367 0.740 20 30 CCEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(N)nc(N)n1 ZINC000272346268 353054752 /nfs/dbraw/zinc/05/47/52/353054752.db2.gz ZRFOAEXPUYYVTQ-UHFFFAOYSA-N 1 2 274.328 0.860 20 30 CCEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(N)nc(N)n1 ZINC000272346268 353054755 /nfs/dbraw/zinc/05/47/55/353054755.db2.gz ZRFOAEXPUYYVTQ-UHFFFAOYSA-N 1 2 274.328 0.860 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccnn2CC)CC1 ZINC000274499359 353134983 /nfs/dbraw/zinc/13/49/83/353134983.db2.gz RPGGPXWGMPKCKD-UHFFFAOYSA-N 1 2 296.396 0.233 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277479800 353245475 /nfs/dbraw/zinc/24/54/75/353245475.db2.gz NYKVJGXOMRXPRC-BFUOFWGJSA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277479800 353245477 /nfs/dbraw/zinc/24/54/77/353245477.db2.gz NYKVJGXOMRXPRC-BFUOFWGJSA-N 1 2 284.425 0.887 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000286672026 353603230 /nfs/dbraw/zinc/60/32/30/353603230.db2.gz PNKKVPSVVKSUCG-SECBINFHSA-N 1 2 280.309 0.715 20 30 CCEDLO C[N@H+](CCC(N)=O)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000286441033 353586750 /nfs/dbraw/zinc/58/67/50/353586750.db2.gz LRVIFFHFGQCFKE-UHFFFAOYSA-N 1 2 295.364 0.139 20 30 CCEDLO C[N@@H+](CCC(N)=O)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000286441033 353586754 /nfs/dbraw/zinc/58/67/54/353586754.db2.gz LRVIFFHFGQCFKE-UHFFFAOYSA-N 1 2 295.364 0.139 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000336415660 213273090 /nfs/dbraw/zinc/27/30/90/213273090.db2.gz IDLZOYRMFBKKTA-SNVBAGLBSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000336415660 213273092 /nfs/dbraw/zinc/27/30/92/213273092.db2.gz IDLZOYRMFBKKTA-SNVBAGLBSA-N 1 2 262.288 0.940 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000308197279 354183176 /nfs/dbraw/zinc/18/31/76/354183176.db2.gz UFMBBFKFVNBVHF-NSHDSACASA-N 1 2 261.329 0.653 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000308197279 354183177 /nfs/dbraw/zinc/18/31/77/354183177.db2.gz UFMBBFKFVNBVHF-NSHDSACASA-N 1 2 261.329 0.653 20 30 CCEDLO CC(C)(CNc1cnc(C#N)cn1)[NH+]1CCS(=O)CC1 ZINC000329984808 354281687 /nfs/dbraw/zinc/28/16/87/354281687.db2.gz CQCJSSSZTLIRCZ-UHFFFAOYSA-N 1 2 293.396 0.603 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCSC[C@H]1CO)C1CC1 ZINC000331895755 354619087 /nfs/dbraw/zinc/61/90/87/354619087.db2.gz RSSPQGOACPZEHT-DGCLKSJQSA-N 1 2 283.397 0.205 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCSC[C@H]1CO)C1CC1 ZINC000331895755 354619090 /nfs/dbraw/zinc/61/90/90/354619090.db2.gz RSSPQGOACPZEHT-DGCLKSJQSA-N 1 2 283.397 0.205 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)n1cnc(C#N)n1 ZINC000336961851 355233984 /nfs/dbraw/zinc/23/39/84/355233984.db2.gz CKPQDLKQMXGYJI-VIFPVBQESA-N 1 2 281.279 0.997 20 30 CCEDLO C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000336880115 355218819 /nfs/dbraw/zinc/21/88/19/355218819.db2.gz BQDIEWTVTQUHAZ-SNVBAGLBSA-N 1 2 299.338 0.488 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339222409 355501615 /nfs/dbraw/zinc/50/16/15/355501615.db2.gz VIWJQOQHFFTUEC-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000340155022 355512837 /nfs/dbraw/zinc/51/28/37/355512837.db2.gz NZXNUBNAVGRHRU-UHFFFAOYSA-N 1 2 277.324 0.946 20 30 CCEDLO Cc1cc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)c[nH+]1 ZINC000425246911 235276252 /nfs/dbraw/zinc/27/62/52/235276252.db2.gz MSCPNYRDSZRANT-OCCSQVGLSA-N 1 2 288.351 0.731 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)CSCC#N)C[C@H](C)O1 ZINC000345375590 355808928 /nfs/dbraw/zinc/80/89/28/355808928.db2.gz DXQJPKMDSQIPEM-TXEJJXNPSA-N 1 2 285.413 0.811 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)CSCC#N)C[C@H](C)O1 ZINC000345375590 355808933 /nfs/dbraw/zinc/80/89/33/355808933.db2.gz DXQJPKMDSQIPEM-TXEJJXNPSA-N 1 2 285.413 0.811 20 30 CCEDLO Cc1onc(CC(=O)NCCn2cc[nH+]c2)c1C#N ZINC000354348990 356396413 /nfs/dbraw/zinc/39/64/13/356396413.db2.gz RRMPMVYLUZFQGK-UHFFFAOYSA-N 1 2 259.269 0.410 20 30 CCEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCC1 ZINC000608813008 363464227 /nfs/dbraw/zinc/46/42/27/363464227.db2.gz WTJZRCAIGMVBKN-UHFFFAOYSA-N 1 2 268.280 0.838 20 30 CCEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCNC1=O ZINC000355191432 356604066 /nfs/dbraw/zinc/60/40/66/356604066.db2.gz FWVJUAAIDRZOIQ-GFCCVEGCSA-N 1 2 269.308 0.526 20 30 CCEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCNC1=O ZINC000355191432 356604070 /nfs/dbraw/zinc/60/40/70/356604070.db2.gz FWVJUAAIDRZOIQ-GFCCVEGCSA-N 1 2 269.308 0.526 20 30 CCEDLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)CC#N)C2=O)n(C)n1 ZINC000610342887 363552057 /nfs/dbraw/zinc/55/20/57/363552057.db2.gz FMQZTMDMQOQMDB-KOLCDFICSA-N 1 2 261.329 0.726 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000619721826 366340937 /nfs/dbraw/zinc/34/09/37/366340937.db2.gz INLCBQXYYNOXLM-IUCAKERBSA-N 1 2 294.273 0.714 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000619721826 366340947 /nfs/dbraw/zinc/34/09/47/366340947.db2.gz INLCBQXYYNOXLM-IUCAKERBSA-N 1 2 294.273 0.714 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000408081701 357909810 /nfs/dbraw/zinc/90/98/10/357909810.db2.gz NRNCWZQWLBQLAH-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000408081701 357909814 /nfs/dbraw/zinc/90/98/14/357909814.db2.gz NRNCWZQWLBQLAH-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000294489138 199059254 /nfs/dbraw/zinc/05/92/54/199059254.db2.gz PNIMTVSSRFIQPB-AWEZNQCLSA-N 1 2 287.363 0.764 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cc(C)on2)CC1 ZINC000490780646 358291558 /nfs/dbraw/zinc/29/15/58/358291558.db2.gz NLFUKZLHSFRZCO-UHFFFAOYSA-N 1 2 290.367 0.192 20 30 CCEDLO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562539205 291157978 /nfs/dbraw/zinc/15/79/78/291157978.db2.gz VGFNWVLVYSKCIG-HNNXBMFYSA-N 1 2 288.351 0.415 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000573402121 358964279 /nfs/dbraw/zinc/96/42/79/358964279.db2.gz CCYHYHXFJOPIJK-TZMCWYRMSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000573402121 358964281 /nfs/dbraw/zinc/96/42/81/358964281.db2.gz CCYHYHXFJOPIJK-TZMCWYRMSA-N 1 2 289.335 0.172 20 30 CCEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000572163816 358927421 /nfs/dbraw/zinc/92/74/21/358927421.db2.gz BLTAEJLHRHCXNR-STQMWFEESA-N 1 2 278.400 0.963 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000610987181 363640995 /nfs/dbraw/zinc/64/09/95/363640995.db2.gz UPRUBFAGDWIOOS-LBPRGKRZSA-N 1 2 276.340 0.834 20 30 CCEDLO Cc1nsc(NC[C@@](C)(O)C[NH+]2CCOCC2)c1C#N ZINC000587984720 359303607 /nfs/dbraw/zinc/30/36/07/359303607.db2.gz IDQZRHLFIPZAMZ-CYBMUJFWSA-N 1 2 296.396 0.818 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000588120794 359314559 /nfs/dbraw/zinc/31/45/59/359314559.db2.gz WRDVEJKKACFJHK-SNVBAGLBSA-N 1 2 283.353 0.866 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000588120794 359314563 /nfs/dbraw/zinc/31/45/63/359314563.db2.gz WRDVEJKKACFJHK-SNVBAGLBSA-N 1 2 283.353 0.866 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000585703475 359264931 /nfs/dbraw/zinc/26/49/31/359264931.db2.gz WZAQWTBRBNWFOE-UHFFFAOYSA-N 1 2 273.340 0.130 20 30 CCEDLO COC(=O)c1[nH]c(C[NH+]2CCN(CC#N)CC2)cc1C ZINC000585726733 359267987 /nfs/dbraw/zinc/26/79/87/359267987.db2.gz CVAMNPNVVIOIMI-UHFFFAOYSA-N 1 2 276.340 0.751 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000562933273 291173811 /nfs/dbraw/zinc/17/38/11/291173811.db2.gz DBCOCWNVUVJAQQ-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000562933273 291173813 /nfs/dbraw/zinc/17/38/13/291173813.db2.gz DBCOCWNVUVJAQQ-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000590192004 359429425 /nfs/dbraw/zinc/42/94/25/359429425.db2.gz SXIMSZPFLFZPII-NWDGAFQWSA-N 1 2 280.328 0.135 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000590192004 359429426 /nfs/dbraw/zinc/42/94/26/359429426.db2.gz SXIMSZPFLFZPII-NWDGAFQWSA-N 1 2 280.328 0.135 20 30 CCEDLO C[C@@H]1[C@@H](O)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000590759067 359518898 /nfs/dbraw/zinc/51/88/98/359518898.db2.gz PYBQHIKVMBPSFF-RISCZKNCSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1[C@@H](O)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000590759067 359518900 /nfs/dbraw/zinc/51/89/00/359518900.db2.gz PYBQHIKVMBPSFF-RISCZKNCSA-N 1 2 294.376 0.787 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccncc3C#N)CCN2C1=O ZINC000592071752 359746347 /nfs/dbraw/zinc/74/63/47/359746347.db2.gz PHWAWEUQKFSBBE-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccncc3C#N)CCN2C1=O ZINC000592071752 359746351 /nfs/dbraw/zinc/74/63/51/359746351.db2.gz PHWAWEUQKFSBBE-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147086 359765951 /nfs/dbraw/zinc/76/59/51/359765951.db2.gz LTGWGUDRKIJULG-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147086 359765956 /nfs/dbraw/zinc/76/59/56/359765956.db2.gz LTGWGUDRKIJULG-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)cnc12 ZINC000563154975 291200390 /nfs/dbraw/zinc/20/03/90/291200390.db2.gz WIOWWVPNSUHCEY-CYBMUJFWSA-N 1 2 296.334 0.408 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCN4C(=O)CC[C@@H]4C3)cnc12 ZINC000563154975 291200391 /nfs/dbraw/zinc/20/03/91/291200391.db2.gz WIOWWVPNSUHCEY-CYBMUJFWSA-N 1 2 296.334 0.408 20 30 CCEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174997 363670481 /nfs/dbraw/zinc/67/04/81/363670481.db2.gz QYMQPFLZJVBITN-ZDUSSCGKSA-N 1 2 266.389 0.773 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611204879 363680500 /nfs/dbraw/zinc/68/05/00/363680500.db2.gz DZZVGFVAROMMIE-WFASDCNBSA-N 1 2 296.415 0.839 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611204879 363680503 /nfs/dbraw/zinc/68/05/03/363680503.db2.gz DZZVGFVAROMMIE-WFASDCNBSA-N 1 2 296.415 0.839 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097502 360036254 /nfs/dbraw/zinc/03/62/54/360036254.db2.gz MOUMOWUBYCABCF-FCOUNWEESA-N 1 2 283.397 0.200 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097502 360036257 /nfs/dbraw/zinc/03/62/57/360036257.db2.gz MOUMOWUBYCABCF-FCOUNWEESA-N 1 2 283.397 0.200 20 30 CCEDLO COC(=O)CNC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120389 360044887 /nfs/dbraw/zinc/04/48/87/360044887.db2.gz PEHDZFZDKAWSRK-UHFFFAOYSA-N 1 2 287.319 0.553 20 30 CCEDLO COC(=O)CNC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120389 360044891 /nfs/dbraw/zinc/04/48/91/360044891.db2.gz PEHDZFZDKAWSRK-UHFFFAOYSA-N 1 2 287.319 0.553 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593530355 360108008 /nfs/dbraw/zinc/10/80/08/360108008.db2.gz JLNUDBOMOZDYAS-CQSZACIVSA-N 1 2 276.340 0.807 20 30 CCEDLO CC[C@H](C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000593668035 360131616 /nfs/dbraw/zinc/13/16/16/360131616.db2.gz CKZGPFXFMAVVLU-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000593962814 360223932 /nfs/dbraw/zinc/22/39/32/360223932.db2.gz BADFRSCQQHWULV-CYBMUJFWSA-N 1 2 279.365 0.962 20 30 CCEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000593962814 360223933 /nfs/dbraw/zinc/22/39/33/360223933.db2.gz BADFRSCQQHWULV-CYBMUJFWSA-N 1 2 279.365 0.962 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000593992774 360230035 /nfs/dbraw/zinc/23/00/35/360230035.db2.gz DRCOAWUQOXIJTD-NWDGAFQWSA-N 1 2 280.368 0.951 20 30 CCEDLO C=C[C@@H](NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556296 360330805 /nfs/dbraw/zinc/33/08/05/360330805.db2.gz MQNBDDMJRSFVSL-WUHRBBMRSA-N 1 2 270.373 0.801 20 30 CCEDLO C=C[C@@H](NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556296 360330807 /nfs/dbraw/zinc/33/08/07/360330807.db2.gz MQNBDDMJRSFVSL-WUHRBBMRSA-N 1 2 270.373 0.801 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](CC3(C#N)CC3)CCN2C1=O ZINC000611430128 363716385 /nfs/dbraw/zinc/71/63/85/363716385.db2.gz FEQCFIBONIUOBB-JTQLQIEISA-N 1 2 262.313 0.258 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC3(C#N)CC3)CCN2C1=O ZINC000611430128 363716387 /nfs/dbraw/zinc/71/63/87/363716387.db2.gz FEQCFIBONIUOBB-JTQLQIEISA-N 1 2 262.313 0.258 20 30 CCEDLO C[C@H](NS(=O)(=O)c1cncc(C#N)c1)c1[nH+]ccn1C ZINC000595384160 360514848 /nfs/dbraw/zinc/51/48/48/360514848.db2.gz SSVKRDXTUYZVAY-VIFPVBQESA-N 1 2 291.336 0.726 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH]cc[nH+]1 ZINC000595398707 360518852 /nfs/dbraw/zinc/51/88/52/360518852.db2.gz AGNTUDOLQOSQSG-JTQLQIEISA-N 1 2 261.329 0.792 20 30 CCEDLO C[C@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177968274 189082446 /nfs/dbraw/zinc/08/24/46/189082446.db2.gz ZGVTZBQZIXUJOG-AWEZNQCLSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177968274 189082447 /nfs/dbraw/zinc/08/24/47/189082447.db2.gz ZGVTZBQZIXUJOG-AWEZNQCLSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546333 360574945 /nfs/dbraw/zinc/57/49/45/360574945.db2.gz FFLLMZLNTKROKQ-MRVPVSSYSA-N 1 2 279.300 0.158 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546333 360574947 /nfs/dbraw/zinc/57/49/47/360574947.db2.gz FFLLMZLNTKROKQ-MRVPVSSYSA-N 1 2 279.300 0.158 20 30 CCEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC000595759701 360643878 /nfs/dbraw/zinc/64/38/78/360643878.db2.gz NQNJINDYHBNFLY-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NCC#N)C2 ZINC000595759701 360643886 /nfs/dbraw/zinc/64/38/86/360643886.db2.gz NQNJINDYHBNFLY-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1CO ZINC000595717232 360629342 /nfs/dbraw/zinc/62/93/42/360629342.db2.gz OTMSBCKOALLYBT-CYBMUJFWSA-N 1 2 292.335 0.639 20 30 CCEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1CO ZINC000595717232 360629346 /nfs/dbraw/zinc/62/93/46/360629346.db2.gz OTMSBCKOALLYBT-CYBMUJFWSA-N 1 2 292.335 0.639 20 30 CCEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841115 360676359 /nfs/dbraw/zinc/67/63/59/360676359.db2.gz IAYQFBZLPHPXFG-JOYOIKCWSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841115 360676364 /nfs/dbraw/zinc/67/63/64/360676364.db2.gz IAYQFBZLPHPXFG-JOYOIKCWSA-N 1 2 250.302 0.162 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596070478 360787086 /nfs/dbraw/zinc/78/70/86/360787086.db2.gz FDQAMLFFZAFRFP-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO C[C@H](C#N)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596550304 360918706 /nfs/dbraw/zinc/91/87/06/360918706.db2.gz LUMIPMQQSFSYFI-CYBMUJFWSA-N 1 2 294.399 0.900 20 30 CCEDLO N#Cc1nccc(N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000596514156 360913654 /nfs/dbraw/zinc/91/36/54/360913654.db2.gz HWGKWZAPHUPMEX-UHFFFAOYSA-N 1 2 287.367 0.897 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597382796 361079588 /nfs/dbraw/zinc/07/95/88/361079588.db2.gz VKHRCYQZFKZKGS-ZWNOBZJWSA-N 1 2 262.313 0.490 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597543554 361134093 /nfs/dbraw/zinc/13/40/93/361134093.db2.gz AFOAPIBBZNKLAF-TVQRCGJNSA-N 1 2 262.288 0.979 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597543554 361134098 /nfs/dbraw/zinc/13/40/98/361134098.db2.gz AFOAPIBBZNKLAF-TVQRCGJNSA-N 1 2 262.288 0.979 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000597728066 361213888 /nfs/dbraw/zinc/21/38/88/361213888.db2.gz LZHNRTBDOQXGQL-SDDRHHMPSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000597728066 361213890 /nfs/dbraw/zinc/21/38/90/361213890.db2.gz LZHNRTBDOQXGQL-SDDRHHMPSA-N 1 2 251.330 0.516 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C#N)CO)cc2n1C ZINC000597737201 361218462 /nfs/dbraw/zinc/21/84/62/361218462.db2.gz JTQWJTHMUATQOI-JTQLQIEISA-N 1 2 258.281 0.496 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000598612300 361459309 /nfs/dbraw/zinc/45/93/09/361459309.db2.gz UWRPSYYSMHWCLM-LLVKDONJSA-N 1 2 293.371 0.990 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595683 361453903 /nfs/dbraw/zinc/45/39/03/361453903.db2.gz FTBJOSKAJQMZNO-RYUDHWBXSA-N 1 2 286.372 0.797 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595683 361453904 /nfs/dbraw/zinc/45/39/04/361453904.db2.gz FTBJOSKAJQMZNO-RYUDHWBXSA-N 1 2 286.372 0.797 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C#N)ccn1 ZINC000598836599 361523030 /nfs/dbraw/zinc/52/30/30/361523030.db2.gz NVPAFYQFYAAQQE-CYBMUJFWSA-N 1 2 257.297 0.527 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598950553 361539073 /nfs/dbraw/zinc/53/90/73/361539073.db2.gz RNDGQYCQCOKBHJ-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599159514 361592003 /nfs/dbraw/zinc/59/20/03/361592003.db2.gz CKESIQAVRUSWOE-JTQLQIEISA-N 1 2 277.284 0.026 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599159514 361592007 /nfs/dbraw/zinc/59/20/07/361592007.db2.gz CKESIQAVRUSWOE-JTQLQIEISA-N 1 2 277.284 0.026 20 30 CCEDLO C=CCCSCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000599095224 361573406 /nfs/dbraw/zinc/57/34/06/361573406.db2.gz BIUFNOHLYQXYPA-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCCSCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599095224 361573409 /nfs/dbraw/zinc/57/34/09/361573409.db2.gz BIUFNOHLYQXYPA-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)nn2)CC1 ZINC000301888462 201249776 /nfs/dbraw/zinc/24/97/76/201249776.db2.gz RPDZGEOZZXXOFQ-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)nn2)CC1 ZINC000301888462 201249780 /nfs/dbraw/zinc/24/97/80/201249780.db2.gz RPDZGEOZZXXOFQ-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599307991 361644836 /nfs/dbraw/zinc/64/48/36/361644836.db2.gz PVBDKNYPKAISST-AWEZNQCLSA-N 1 2 295.383 0.920 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599307991 361644839 /nfs/dbraw/zinc/64/48/39/361644839.db2.gz PVBDKNYPKAISST-AWEZNQCLSA-N 1 2 295.383 0.920 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N=c1ccn(CCC#N)[nH]1)CC2 ZINC000599532163 361728611 /nfs/dbraw/zinc/72/86/11/361728611.db2.gz BTCYJPQAJNDXKX-LBPRGKRZSA-N 1 2 298.350 0.925 20 30 CCEDLO N#CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000612335444 363887803 /nfs/dbraw/zinc/88/78/03/363887803.db2.gz UMVYMLGNUQXWPG-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000614178067 364522201 /nfs/dbraw/zinc/52/22/01/364522201.db2.gz JIFFITQVJUDEJK-DGCLKSJQSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)NCC ZINC000614344361 364578461 /nfs/dbraw/zinc/57/84/61/364578461.db2.gz CQWTUPKBQJIOHO-LBPRGKRZSA-N 1 2 267.373 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)NCC ZINC000614344361 364578465 /nfs/dbraw/zinc/57/84/65/364578465.db2.gz CQWTUPKBQJIOHO-LBPRGKRZSA-N 1 2 267.373 0.643 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000614688648 364698609 /nfs/dbraw/zinc/69/86/09/364698609.db2.gz YAVBNAQXVTUIBI-JTQLQIEISA-N 1 2 285.311 0.047 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000614741166 364715995 /nfs/dbraw/zinc/71/59/95/364715995.db2.gz RJRVPRYAUQYNJY-JTQLQIEISA-N 1 2 274.328 0.318 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000614741166 364716003 /nfs/dbraw/zinc/71/60/03/364716003.db2.gz RJRVPRYAUQYNJY-JTQLQIEISA-N 1 2 274.328 0.318 20 30 CCEDLO C=CC[C@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631981920 370810051 /nfs/dbraw/zinc/81/00/51/370810051.db2.gz JNUMTFZAIRATRM-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CC[C@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631981920 370810056 /nfs/dbraw/zinc/81/00/56/370810056.db2.gz JNUMTFZAIRATRM-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000565167601 291350737 /nfs/dbraw/zinc/35/07/37/291350737.db2.gz XMSFXZPOOHRTHS-UHFFFAOYSA-N 1 2 287.367 0.207 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204371 291375623 /nfs/dbraw/zinc/37/56/23/291375623.db2.gz VYACVPDFSFIHJK-JTQLQIEISA-N 1 2 287.323 0.054 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204371 291375625 /nfs/dbraw/zinc/37/56/25/291375625.db2.gz VYACVPDFSFIHJK-JTQLQIEISA-N 1 2 287.323 0.054 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296361 367520221 /nfs/dbraw/zinc/52/02/21/367520221.db2.gz HOIJMTIYBCBRMS-JSGCOSHPSA-N 1 2 290.367 0.785 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625481017 368216422 /nfs/dbraw/zinc/21/64/22/368216422.db2.gz ZDTNUYKHJXYATP-GFCCVEGCSA-N 1 2 277.372 0.218 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cncc(C#N)n1 ZINC000566793611 291437789 /nfs/dbraw/zinc/43/77/89/291437789.db2.gz XROCNIVGEBCOBG-WCQYABFASA-N 1 2 273.340 0.648 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574253601 335004243 /nfs/dbraw/zinc/00/42/43/335004243.db2.gz FJAJXTSPDZXJLT-AAEUAGOBSA-N 1 2 253.346 0.928 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000276062655 193201665 /nfs/dbraw/zinc/20/16/65/193201665.db2.gz ZUCONRCHNBICFO-CQSZACIVSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000276062655 193201667 /nfs/dbraw/zinc/20/16/67/193201667.db2.gz ZUCONRCHNBICFO-CQSZACIVSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000574440534 335019836 /nfs/dbraw/zinc/01/98/36/335019836.db2.gz TXZFOLUMBRGWRI-UHFFFAOYSA-N 1 2 258.281 0.917 20 30 CCEDLO C=CCCOCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636984207 373855576 /nfs/dbraw/zinc/85/55/76/373855576.db2.gz ZYBVIGSQVOOHPK-LLVKDONJSA-N 1 2 264.329 0.700 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H](C)COC ZINC000637440417 374155022 /nfs/dbraw/zinc/15/50/22/374155022.db2.gz KILDRGZLEIUOKW-OLZOCXBDSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H](C)COC ZINC000637440417 374155029 /nfs/dbraw/zinc/15/50/29/374155029.db2.gz KILDRGZLEIUOKW-OLZOCXBDSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CC1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637994968 374539776 /nfs/dbraw/zinc/53/97/76/374539776.db2.gz ZIDFWSLUHWIVQA-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC(C)(C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638454243 375059042 /nfs/dbraw/zinc/05/90/42/375059042.db2.gz DZTJFBYIQMIPQX-NSHDSACASA-N 1 2 267.373 0.525 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)C(C)C)nn1 ZINC000640799111 376550404 /nfs/dbraw/zinc/55/04/04/376550404.db2.gz VYPOXVBTPNOYNI-LBPRGKRZSA-N 1 2 277.372 0.552 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000264386073 190106208 /nfs/dbraw/zinc/10/62/08/190106208.db2.gz MDADQFUWMMKECP-GFCCVEGCSA-N 1 2 285.388 0.233 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000264386073 190106209 /nfs/dbraw/zinc/10/62/09/190106209.db2.gz MDADQFUWMMKECP-GFCCVEGCSA-N 1 2 285.388 0.233 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(C)C)C2=O)nn1 ZINC000641046936 376710161 /nfs/dbraw/zinc/71/01/61/376710161.db2.gz WZTMQUWHUYPHSO-CYBMUJFWSA-N 1 2 275.356 0.573 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)C(C)C)nn1 ZINC000641127786 376800828 /nfs/dbraw/zinc/80/08/28/376800828.db2.gz YLLZZPRKLYMKPT-LBPRGKRZSA-N 1 2 277.372 0.819 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CCOC(C)C)nn1 ZINC000641228746 376925017 /nfs/dbraw/zinc/92/50/17/376925017.db2.gz NOZPQEQSUNLRBX-CQSZACIVSA-N 1 2 280.372 0.567 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000313637191 249000514 /nfs/dbraw/zinc/00/05/14/249000514.db2.gz MAMHHEOATCRASM-HNNXBMFYSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000313637191 249000516 /nfs/dbraw/zinc/00/05/16/249000516.db2.gz MAMHHEOATCRASM-HNNXBMFYSA-N 1 2 289.335 0.316 20 30 CCEDLO CN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000265631650 190194935 /nfs/dbraw/zinc/19/49/35/190194935.db2.gz FZPPWAFIZHIGMD-ZDUSSCGKSA-N 1 2 286.335 0.659 20 30 CCEDLO CN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000265631650 190194936 /nfs/dbraw/zinc/19/49/36/190194936.db2.gz FZPPWAFIZHIGMD-ZDUSSCGKSA-N 1 2 286.335 0.659 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(CCOCCO)CC2)cc1 ZINC000265814415 190209558 /nfs/dbraw/zinc/20/95/58/190209558.db2.gz MTPULEQXKGPAFI-UHFFFAOYSA-N 1 2 289.379 0.685 20 30 CCEDLO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000569532979 291686749 /nfs/dbraw/zinc/68/67/49/291686749.db2.gz YHZQRGPIQLVXON-SNVBAGLBSA-N 1 2 297.318 0.889 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000657088449 412885205 /nfs/dbraw/zinc/88/52/05/412885205.db2.gz CNFTYYLODUGWMX-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000657088449 412885207 /nfs/dbraw/zinc/88/52/07/412885207.db2.gz CNFTYYLODUGWMX-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1C ZINC000278733289 194128522 /nfs/dbraw/zinc/12/85/22/194128522.db2.gz LGIPVLVVUROXGT-GJZGRUSLSA-N 1 2 278.352 0.511 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000348314986 218570828 /nfs/dbraw/zinc/57/08/28/218570828.db2.gz BRNYBZYXAHTDPD-SECBINFHSA-N 1 2 286.295 0.431 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000280919899 195028241 /nfs/dbraw/zinc/02/82/41/195028241.db2.gz UABXXFDELBGBDB-SNVBAGLBSA-N 1 2 277.324 0.598 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nn1 ZINC000657384117 412979509 /nfs/dbraw/zinc/97/95/09/412979509.db2.gz XPAHVUMCUNUSKK-BZPMIXESSA-N 1 2 289.383 0.953 20 30 CCEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)nn1 ZINC000657390502 412981952 /nfs/dbraw/zinc/98/19/52/412981952.db2.gz YWVOKXWXCACBGC-UHFFFAOYSA-N 1 2 286.339 0.638 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288459301 197084534 /nfs/dbraw/zinc/08/45/34/197084534.db2.gz GKXDHKWSJRWQJL-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000184573956 388775688 /nfs/dbraw/zinc/77/56/88/388775688.db2.gz JWPRMGPRJUYJCM-KZULUSFZSA-N 1 2 272.414 0.886 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000184573956 388775691 /nfs/dbraw/zinc/77/56/91/388775691.db2.gz JWPRMGPRJUYJCM-KZULUSFZSA-N 1 2 272.414 0.886 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CCO)CC1 ZINC000042287355 388865855 /nfs/dbraw/zinc/86/58/55/388865855.db2.gz WISVQAZACVONEH-AWEZNQCLSA-N 1 2 281.400 0.185 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCOCC1 ZINC000044766630 388872526 /nfs/dbraw/zinc/87/25/26/388872526.db2.gz YERRMQQKTPOVAZ-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000285296642 285328158 /nfs/dbraw/zinc/32/81/58/285328158.db2.gz KVAUHMKYIUYQPU-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000285296642 285328159 /nfs/dbraw/zinc/32/81/59/285328159.db2.gz KVAUHMKYIUYQPU-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@H](C)C#N ZINC000049000621 388913114 /nfs/dbraw/zinc/91/31/14/388913114.db2.gz ZQHFWASSFMBFJJ-VIFPVBQESA-N 1 2 252.318 0.456 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@H](C)C#N ZINC000049000621 388913116 /nfs/dbraw/zinc/91/31/16/388913116.db2.gz ZQHFWASSFMBFJJ-VIFPVBQESA-N 1 2 252.318 0.456 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000049443114 388920405 /nfs/dbraw/zinc/92/04/05/388920405.db2.gz ALGIUPAZQYCQPH-UHFFFAOYSA-N 1 2 297.380 0.621 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)NC(C)(C)C ZINC000052661690 388927765 /nfs/dbraw/zinc/92/77/65/388927765.db2.gz FHGNVUYAXOPQEF-LLVKDONJSA-N 1 2 282.388 0.593 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000052661690 388927766 /nfs/dbraw/zinc/92/77/66/388927766.db2.gz FHGNVUYAXOPQEF-LLVKDONJSA-N 1 2 282.388 0.593 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCC=C)CC1 ZINC000292861080 388963743 /nfs/dbraw/zinc/96/37/43/388963743.db2.gz DDDOZOPINHOLQN-UHFFFAOYSA-N 1 2 270.398 0.923 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192223383 389028035 /nfs/dbraw/zinc/02/80/35/389028035.db2.gz NNAZSOQDOAIVSG-LLVKDONJSA-N 1 2 271.320 0.925 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192223383 389028039 /nfs/dbraw/zinc/02/80/39/389028039.db2.gz NNAZSOQDOAIVSG-LLVKDONJSA-N 1 2 271.320 0.925 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1[nH+]ccn1C ZINC000336897878 389028975 /nfs/dbraw/zinc/02/89/75/389028975.db2.gz OUQMHMVGZNEBOB-JTQLQIEISA-N 1 2 285.373 0.236 20 30 CCEDLO CC[N@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000191713114 389015702 /nfs/dbraw/zinc/01/57/02/389015702.db2.gz UVZWEPCOXJNWIV-UHFFFAOYSA-N 1 2 280.372 0.478 20 30 CCEDLO CC[N@@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000191713114 389015705 /nfs/dbraw/zinc/01/57/05/389015705.db2.gz UVZWEPCOXJNWIV-UHFFFAOYSA-N 1 2 280.372 0.478 20 30 CCEDLO CC#CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354364258 389021395 /nfs/dbraw/zinc/02/13/95/389021395.db2.gz DFKKVIAQKSXOGS-GFCCVEGCSA-N 1 2 275.356 0.821 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337199272 389053631 /nfs/dbraw/zinc/05/36/31/389053631.db2.gz YQYJRSYIUREBGC-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337199272 389053633 /nfs/dbraw/zinc/05/36/33/389053633.db2.gz YQYJRSYIUREBGC-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337840864 389069775 /nfs/dbraw/zinc/06/97/75/389069775.db2.gz FKRVOYQQMPYEEF-UHFFFAOYSA-N 1 2 292.387 0.031 20 30 CCEDLO N#CCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000104090472 389079755 /nfs/dbraw/zinc/07/97/55/389079755.db2.gz GWOVVHGIPSQKDK-UHFFFAOYSA-N 1 2 258.325 0.427 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000104673116 389084047 /nfs/dbraw/zinc/08/40/47/389084047.db2.gz UUMZJUWQUHQWAE-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000104673116 389084050 /nfs/dbraw/zinc/08/40/50/389084050.db2.gz UUMZJUWQUHQWAE-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1[nH+]ccn1C ZINC000105790415 389087517 /nfs/dbraw/zinc/08/75/17/389087517.db2.gz KBFWSQQPFPJPGL-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1cccnc1 ZINC000092914211 389034000 /nfs/dbraw/zinc/03/40/00/389034000.db2.gz KIPSZZCUIJJEBX-SNVBAGLBSA-N 1 2 260.297 0.051 20 30 CCEDLO N#CCSCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110953122 389102818 /nfs/dbraw/zinc/10/28/18/389102818.db2.gz SMTWJMOZSKMVHJ-ZDUSSCGKSA-N 1 2 297.424 0.956 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112921182 389128865 /nfs/dbraw/zinc/12/88/65/389128865.db2.gz SWVUVJYJEVMNGY-UHFFFAOYSA-N 1 2 273.292 0.986 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000216392425 389133400 /nfs/dbraw/zinc/13/34/00/389133400.db2.gz SLPNSWKMFQKSBN-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000216392425 389133405 /nfs/dbraw/zinc/13/34/05/389133405.db2.gz SLPNSWKMFQKSBN-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO CN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CCC1=O ZINC000328735931 389134999 /nfs/dbraw/zinc/13/49/99/389134999.db2.gz KXJOSJNKZWYRIY-NSHDSACASA-N 1 2 283.372 0.675 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339528601 389135152 /nfs/dbraw/zinc/13/51/52/389135152.db2.gz ZDTQHTWVQARXMG-UHFFFAOYSA-N 1 2 294.355 0.050 20 30 CCEDLO CN(C)[C@@H](C(=O)N(C)CC(=O)NC1CC1)c1c[nH+]cn1C ZINC000328747439 389135402 /nfs/dbraw/zinc/13/54/02/389135402.db2.gz AYSCRKIPBKDORQ-CYBMUJFWSA-N 1 2 293.371 0.600 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329747764 389195789 /nfs/dbraw/zinc/19/57/89/389195789.db2.gz ZPHVQOWQKKKQPV-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329747764 389195790 /nfs/dbraw/zinc/19/57/90/389195790.db2.gz ZPHVQOWQKKKQPV-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO N#CCCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000360319565 389196283 /nfs/dbraw/zinc/19/62/83/389196283.db2.gz YJNZOWNYXIRLIN-AWEZNQCLSA-N 1 2 295.383 0.630 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329766536 389198030 /nfs/dbraw/zinc/19/80/30/389198030.db2.gz YHHNZFDSLXYPJC-RFGFWPKPSA-N 1 2 297.399 0.324 20 30 CCEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000123304048 389156038 /nfs/dbraw/zinc/15/60/38/389156038.db2.gz LVEHORNZRFTXTM-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000358637932 389157317 /nfs/dbraw/zinc/15/73/17/389157317.db2.gz QRLVVKDRLDWCEV-UHFFFAOYSA-N 1 2 295.387 0.127 20 30 CCEDLO NC(=O)[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329335102 389157587 /nfs/dbraw/zinc/15/75/87/389157587.db2.gz LBOBRRSPKORLBM-QWRGUYRKSA-N 1 2 297.355 0.891 20 30 CCEDLO C=CCCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000124542376 389161599 /nfs/dbraw/zinc/16/15/99/389161599.db2.gz IXBXRIONTMIMGJ-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCCNC3=O)C[C@H]21 ZINC000329527689 389168949 /nfs/dbraw/zinc/16/89/49/389168949.db2.gz UJDQAYIONPWIRQ-IJLUTSLNSA-N 1 2 296.371 0.424 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCCNC3=O)C[C@H]21 ZINC000329527689 389168951 /nfs/dbraw/zinc/16/89/51/389168951.db2.gz UJDQAYIONPWIRQ-IJLUTSLNSA-N 1 2 296.371 0.424 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127003621 389172651 /nfs/dbraw/zinc/17/26/51/389172651.db2.gz DFSSIKITMKKUBO-LBPRGKRZSA-N 1 2 279.384 0.786 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127003621 389172652 /nfs/dbraw/zinc/17/26/52/389172652.db2.gz DFSSIKITMKKUBO-LBPRGKRZSA-N 1 2 279.384 0.786 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248557872 389246962 /nfs/dbraw/zinc/24/69/62/389246962.db2.gz LXPYQTFPZAZJPA-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248557872 389246964 /nfs/dbraw/zinc/24/69/64/389246964.db2.gz LXPYQTFPZAZJPA-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(=O)n(C)c1 ZINC000330618720 389247201 /nfs/dbraw/zinc/24/72/01/389247201.db2.gz HPOHIFQXJSZROW-LLVKDONJSA-N 1 2 279.340 0.411 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(=O)n(C)c1 ZINC000330618720 389247205 /nfs/dbraw/zinc/24/72/05/389247205.db2.gz HPOHIFQXJSZROW-LLVKDONJSA-N 1 2 279.340 0.411 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000248640676 389248082 /nfs/dbraw/zinc/24/80/82/389248082.db2.gz MIPRRWUCYZICFX-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000248640676 389248085 /nfs/dbraw/zinc/24/80/85/389248085.db2.gz MIPRRWUCYZICFX-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248801390 389250244 /nfs/dbraw/zinc/25/02/44/389250244.db2.gz FZZVRXNRARBNGX-LOWVWBTDSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248801390 389250247 /nfs/dbraw/zinc/25/02/47/389250247.db2.gz FZZVRXNRARBNGX-LOWVWBTDSA-N 1 2 266.341 0.562 20 30 CCEDLO N#CC1(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000343316309 389264125 /nfs/dbraw/zinc/26/41/25/389264125.db2.gz RYYNCKHUVVFKOR-VIFPVBQESA-N 1 2 266.263 0.898 20 30 CCEDLO N#CC1(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000343316309 389264126 /nfs/dbraw/zinc/26/41/26/389264126.db2.gz RYYNCKHUVVFKOR-VIFPVBQESA-N 1 2 266.263 0.898 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)C1 ZINC000329894787 389209324 /nfs/dbraw/zinc/20/93/24/389209324.db2.gz BQNPTIDCSHQNGV-OCCSQVGLSA-N 1 2 285.388 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)C1 ZINC000329894787 389209327 /nfs/dbraw/zinc/20/93/27/389209327.db2.gz BQNPTIDCSHQNGV-OCCSQVGLSA-N 1 2 285.388 0.468 20 30 CCEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NC[C@H]1COCCO1 ZINC000329899854 389209592 /nfs/dbraw/zinc/20/95/92/389209592.db2.gz NGOXSMLAIIUTOS-RYUDHWBXSA-N 1 2 294.355 0.365 20 30 CCEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@H]1COCCO1 ZINC000329899854 389209596 /nfs/dbraw/zinc/20/95/96/389209596.db2.gz NGOXSMLAIIUTOS-RYUDHWBXSA-N 1 2 294.355 0.365 20 30 CCEDLO [O-]C(NC[C@H]1COCCO1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899854 389209602 /nfs/dbraw/zinc/20/96/02/389209602.db2.gz NGOXSMLAIIUTOS-RYUDHWBXSA-N 1 2 294.355 0.365 20 30 CCEDLO COc1ncccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329936321 389212407 /nfs/dbraw/zinc/21/24/07/389212407.db2.gz KZIKFDHXLCOTSB-NEPJUHHUSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1ncccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329936321 389212410 /nfs/dbraw/zinc/21/24/10/389212410.db2.gz KZIKFDHXLCOTSB-NEPJUHHUSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1ccc(CO[NH+]=C(N)CN2CCOCC2)cn1 ZINC000131555245 389215563 /nfs/dbraw/zinc/21/55/63/389215563.db2.gz GDFLNEZMBWQUMB-UHFFFAOYSA-N 1 2 280.328 0.211 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000342374282 389216734 /nfs/dbraw/zinc/21/67/34/389216734.db2.gz NFUJWWIDRSURBF-ZDUSSCGKSA-N 1 2 284.400 0.740 20 30 CCEDLO COC[C@H](O)CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330398420 389224318 /nfs/dbraw/zinc/22/43/18/389224318.db2.gz LZPLJSUTHNWUKM-VXGBXAGGSA-N 1 2 296.371 0.580 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000361807579 389224999 /nfs/dbraw/zinc/22/49/99/389224999.db2.gz BIFOJBUKLKQHEY-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000361807579 389225002 /nfs/dbraw/zinc/22/50/02/389225002.db2.gz BIFOJBUKLKQHEY-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246726853 389231508 /nfs/dbraw/zinc/23/15/08/389231508.db2.gz AJGNOEJPLHKKCG-ZIAGYGMSSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246726853 389231511 /nfs/dbraw/zinc/23/15/11/389231511.db2.gz AJGNOEJPLHKKCG-ZIAGYGMSSA-N 1 2 295.383 0.628 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000133269366 389233857 /nfs/dbraw/zinc/23/38/57/389233857.db2.gz DTCSXGBYZJJZKL-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000133269366 389233860 /nfs/dbraw/zinc/23/38/60/389233860.db2.gz DTCSXGBYZJJZKL-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO C=C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000362371308 389234831 /nfs/dbraw/zinc/23/48/31/389234831.db2.gz QHAURYOIVKSPJT-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000362371308 389234835 /nfs/dbraw/zinc/23/48/35/389234835.db2.gz QHAURYOIVKSPJT-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330530764 389238365 /nfs/dbraw/zinc/23/83/65/389238365.db2.gz RUSHMMFQMYZGCZ-ZWNOBZJWSA-N 1 2 281.360 0.198 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330530764 389238368 /nfs/dbraw/zinc/23/83/68/389238368.db2.gz RUSHMMFQMYZGCZ-ZWNOBZJWSA-N 1 2 281.360 0.198 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC000264179169 389310978 /nfs/dbraw/zinc/31/09/78/389310978.db2.gz NSLVNEJWYCWOND-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC000264179169 389310981 /nfs/dbraw/zinc/31/09/81/389310981.db2.gz NSLVNEJWYCWOND-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784354 389314820 /nfs/dbraw/zinc/31/48/20/389314820.db2.gz ABWHMTIBPULTNC-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784354 389314823 /nfs/dbraw/zinc/31/48/23/389314823.db2.gz ABWHMTIBPULTNC-LLVKDONJSA-N 1 2 280.372 0.395 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000345848121 389316731 /nfs/dbraw/zinc/31/67/31/389316731.db2.gz IQAKAEXZBOMFNP-LLVKDONJSA-N 1 2 294.399 0.784 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000345848121 389316735 /nfs/dbraw/zinc/31/67/35/389316735.db2.gz IQAKAEXZBOMFNP-LLVKDONJSA-N 1 2 294.399 0.784 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000156717441 389326747 /nfs/dbraw/zinc/32/67/47/389326747.db2.gz SCQBCRSNPIQJOU-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000156717441 389326750 /nfs/dbraw/zinc/32/67/50/389326750.db2.gz SCQBCRSNPIQJOU-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456376 389329216 /nfs/dbraw/zinc/32/92/16/389329216.db2.gz OMAWYBHBLAVOTG-KBPBESRZSA-N 1 2 291.395 0.882 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456376 389329218 /nfs/dbraw/zinc/32/92/18/389329218.db2.gz OMAWYBHBLAVOTG-KBPBESRZSA-N 1 2 291.395 0.882 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346892031 389340281 /nfs/dbraw/zinc/34/02/81/389340281.db2.gz UAVWYVODVWNPKJ-PHIMTYICSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346892031 389340283 /nfs/dbraw/zinc/34/02/83/389340283.db2.gz UAVWYVODVWNPKJ-PHIMTYICSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000343880942 389274916 /nfs/dbraw/zinc/27/49/16/389274916.db2.gz CKNOAHFFGSIFNX-LBPRGKRZSA-N 1 2 298.362 0.744 20 30 CCEDLO C[C@H](C(=O)N[C@@H](C#N)C1CC1)[NH+]1CCSCC1 ZINC000152390998 389289868 /nfs/dbraw/zinc/28/98/68/389289868.db2.gz BCWVKGKJOUDRMD-KOLCDFICSA-N 1 2 253.371 0.842 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331050388 389296993 /nfs/dbraw/zinc/29/69/93/389296993.db2.gz KYIRRDVNXZKKSW-SNVBAGLBSA-N 1 2 269.345 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331050388 389296994 /nfs/dbraw/zinc/29/69/94/389296994.db2.gz KYIRRDVNXZKKSW-SNVBAGLBSA-N 1 2 269.345 0.702 20 30 CCEDLO Cn1nccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000348394659 389376236 /nfs/dbraw/zinc/37/62/36/389376236.db2.gz DFRUHOOKPYKLOB-CQSZACIVSA-N 1 2 275.356 0.660 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000348394659 389376241 /nfs/dbraw/zinc/37/62/41/389376241.db2.gz DFRUHOOKPYKLOB-CQSZACIVSA-N 1 2 275.356 0.660 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000408459107 389353427 /nfs/dbraw/zinc/35/34/27/389353427.db2.gz WXBXPBKZLSDQKO-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412365484 389478767 /nfs/dbraw/zinc/47/87/67/389478767.db2.gz KXEBGAIAJBDSHA-LBPRGKRZSA-N 1 2 284.356 0.190 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412365484 389478771 /nfs/dbraw/zinc/47/87/71/389478771.db2.gz KXEBGAIAJBDSHA-LBPRGKRZSA-N 1 2 284.356 0.190 20 30 CCEDLO C[C@@H](CCC#N)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000411490501 389431212 /nfs/dbraw/zinc/43/12/12/389431212.db2.gz CRXSQWOHGMYHCB-QWRGUYRKSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@@H](CCC#N)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000411490501 389431216 /nfs/dbraw/zinc/43/12/16/389431216.db2.gz CRXSQWOHGMYHCB-QWRGUYRKSA-N 1 2 259.375 0.644 20 30 CCEDLO C=CC[N@@H+](C)CCN(CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000411644167 389440907 /nfs/dbraw/zinc/44/09/07/389440907.db2.gz QMNPJRGFEXSJNR-UHFFFAOYSA-N 1 2 289.383 0.962 20 30 CCEDLO C=CC[N@H+](C)CCN(CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000411644167 389440909 /nfs/dbraw/zinc/44/09/09/389440909.db2.gz QMNPJRGFEXSJNR-UHFFFAOYSA-N 1 2 289.383 0.962 20 30 CCEDLO CC(C)OC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119877 389444109 /nfs/dbraw/zinc/44/41/09/389444109.db2.gz HOVONNVKNHHAKO-KGLIPLIRSA-N 1 2 297.399 0.873 20 30 CCEDLO CC(C)OC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119877 389444112 /nfs/dbraw/zinc/44/41/12/389444112.db2.gz HOVONNVKNHHAKO-KGLIPLIRSA-N 1 2 297.399 0.873 20 30 CCEDLO CN(CC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172725368 389493297 /nfs/dbraw/zinc/49/32/97/389493297.db2.gz JBQFHAIUMBVNBU-UHFFFAOYSA-N 1 2 273.340 0.186 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000373810311 389518421 /nfs/dbraw/zinc/51/84/21/389518421.db2.gz BRWOGSGPGMNPDJ-GFCCVEGCSA-N 1 2 282.369 0.020 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000373810311 389518425 /nfs/dbraw/zinc/51/84/25/389518425.db2.gz BRWOGSGPGMNPDJ-GFCCVEGCSA-N 1 2 282.369 0.020 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)o1 ZINC000373970198 389532153 /nfs/dbraw/zinc/53/21/53/389532153.db2.gz TYWNOLSVWRNWTO-VXGBXAGGSA-N 1 2 261.281 0.241 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)o1 ZINC000373970198 389532154 /nfs/dbraw/zinc/53/21/54/389532154.db2.gz TYWNOLSVWRNWTO-VXGBXAGGSA-N 1 2 261.281 0.241 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000281151193 389609830 /nfs/dbraw/zinc/60/98/30/389609830.db2.gz BICXWVAUPSJLDL-CQSZACIVSA-N 1 2 286.379 0.991 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1=O ZINC000281930287 389636379 /nfs/dbraw/zinc/63/63/79/389636379.db2.gz HZRHYOMPRIQVEJ-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1=O ZINC000281930279 389636550 /nfs/dbraw/zinc/63/65/50/389636550.db2.gz HZRHYOMPRIQVEJ-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)CN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000351537612 389608565 /nfs/dbraw/zinc/60/85/65/389608565.db2.gz LQEYOJDQFFFCAV-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=C(C)CN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000351537612 389608568 /nfs/dbraw/zinc/60/85/68/389608568.db2.gz LQEYOJDQFFFCAV-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282309355 389660759 /nfs/dbraw/zinc/66/07/59/389660759.db2.gz SZOPDUFMFMNHNG-QWHCGFSZSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282309355 389660763 /nfs/dbraw/zinc/66/07/63/389660763.db2.gz SZOPDUFMFMNHNG-QWHCGFSZSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COC1CCOCC1 ZINC000428846554 389723488 /nfs/dbraw/zinc/72/34/88/389723488.db2.gz RAPYYCRFZHEKJU-CYBMUJFWSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COC1CCOCC1 ZINC000428846554 389723489 /nfs/dbraw/zinc/72/34/89/389723489.db2.gz RAPYYCRFZHEKJU-CYBMUJFWSA-N 1 2 268.357 0.945 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375663014 389697890 /nfs/dbraw/zinc/69/78/90/389697890.db2.gz ASQOQKGVYIWNLB-OAHLLOKOSA-N 1 2 295.383 0.630 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375663014 389697893 /nfs/dbraw/zinc/69/78/93/389697893.db2.gz ASQOQKGVYIWNLB-OAHLLOKOSA-N 1 2 295.383 0.630 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352358150 389797266 /nfs/dbraw/zinc/79/72/66/389797266.db2.gz SIMJQHZUEBSMPC-NSHDSACASA-N 1 2 293.371 0.735 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccnn1CC ZINC000352358150 389797267 /nfs/dbraw/zinc/79/72/67/389797267.db2.gz SIMJQHZUEBSMPC-NSHDSACASA-N 1 2 293.371 0.735 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000416397273 389738919 /nfs/dbraw/zinc/73/89/19/389738919.db2.gz IQFVCQXJWRNYTC-VXGBXAGGSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@H+]1CCOC ZINC000416397273 389738923 /nfs/dbraw/zinc/73/89/23/389738923.db2.gz IQFVCQXJWRNYTC-VXGBXAGGSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000352415668 389807768 /nfs/dbraw/zinc/80/77/68/389807768.db2.gz YUIKOVIKTJICMC-JTQLQIEISA-N 1 2 268.342 0.762 20 30 CCEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000408321978 389843017 /nfs/dbraw/zinc/84/30/17/389843017.db2.gz REPKETUFNXAHJV-UHFFFAOYSA-N 1 2 275.356 0.595 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000435423958 389956840 /nfs/dbraw/zinc/95/68/40/389956840.db2.gz XEXXHZZYHFLFIC-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000435423958 389956843 /nfs/dbraw/zinc/95/68/43/389956843.db2.gz XEXXHZZYHFLFIC-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=CCNC(=O)NC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000447793680 389965463 /nfs/dbraw/zinc/96/54/63/389965463.db2.gz HNLMGRQKTDWXGK-UHFFFAOYSA-N 1 2 295.368 0.555 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnn(C=C)c2)CC1 ZINC000447797805 389965525 /nfs/dbraw/zinc/96/55/25/389965525.db2.gz NXURQKAHXCAWBB-UHFFFAOYSA-N 1 2 289.383 0.403 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnn(C=C)c2)CC1 ZINC000447797805 389965526 /nfs/dbraw/zinc/96/55/26/389965526.db2.gz NXURQKAHXCAWBB-UHFFFAOYSA-N 1 2 289.383 0.403 20 30 CCEDLO C[C@@H](C#N)CN(C)C[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000447347539 389952391 /nfs/dbraw/zinc/95/23/91/389952391.db2.gz LRWFKYMYBKPFEA-CLLJXQQHSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@@H](C#N)CN(C)C[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000447347539 389952393 /nfs/dbraw/zinc/95/23/93/389952393.db2.gz LRWFKYMYBKPFEA-CLLJXQQHSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)CN(C)C[C@H](C)C#N ZINC000447347539 389952394 /nfs/dbraw/zinc/95/23/94/389952394.db2.gz LRWFKYMYBKPFEA-CLLJXQQHSA-N 1 2 252.362 0.530 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)CN(C)C[C@H](C)C#N ZINC000447347539 389952396 /nfs/dbraw/zinc/95/23/96/389952396.db2.gz LRWFKYMYBKPFEA-CLLJXQQHSA-N 1 2 252.362 0.530 20 30 CCEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)NCC#N)cn1 ZINC000440474121 390037675 /nfs/dbraw/zinc/03/76/75/390037675.db2.gz ALKUHHRHVNAZMM-UHFFFAOYSA-N 1 2 261.329 0.672 20 30 CCEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)NCC#N)cn1 ZINC000440474121 390037677 /nfs/dbraw/zinc/03/76/77/390037677.db2.gz ALKUHHRHVNAZMM-UHFFFAOYSA-N 1 2 261.329 0.672 20 30 CCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862881 389991560 /nfs/dbraw/zinc/99/15/60/389991560.db2.gz ZSNUQQWCYXUGFV-FZMZJTMJSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862881 389991562 /nfs/dbraw/zinc/99/15/62/389991562.db2.gz ZSNUQQWCYXUGFV-FZMZJTMJSA-N 1 2 265.357 0.763 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000438711809 390010186 /nfs/dbraw/zinc/01/01/86/390010186.db2.gz GUSKMMXFGBFZFA-OLZOCXBDSA-N 1 2 298.412 0.691 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000438711809 390010188 /nfs/dbraw/zinc/01/01/88/390010188.db2.gz GUSKMMXFGBFZFA-OLZOCXBDSA-N 1 2 298.412 0.691 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cncc(C#N)n1 ZINC000420632494 390018782 /nfs/dbraw/zinc/01/87/82/390018782.db2.gz VOGQBFJZCSVCPK-LLVKDONJSA-N 1 2 261.329 0.505 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCS(C)(=O)=O ZINC000490876322 390108305 /nfs/dbraw/zinc/10/83/05/390108305.db2.gz TZYXLSBJGWXLCC-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCCS(C)(=O)=O ZINC000490876322 390108306 /nfs/dbraw/zinc/10/83/06/390108306.db2.gz TZYXLSBJGWXLCC-LBPRGKRZSA-N 1 2 287.381 0.452 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000491525216 390114495 /nfs/dbraw/zinc/11/44/95/390114495.db2.gz QUJGQOYPKZFYOY-RISCZKNCSA-N 1 2 266.341 0.699 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000491525216 390114496 /nfs/dbraw/zinc/11/44/96/390114496.db2.gz QUJGQOYPKZFYOY-RISCZKNCSA-N 1 2 266.341 0.699 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000491710069 390116254 /nfs/dbraw/zinc/11/62/54/390116254.db2.gz RUCAONDDIOPQTN-STQMWFEESA-N 1 2 269.366 0.801 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 ZINC000491710069 390116255 /nfs/dbraw/zinc/11/62/55/390116255.db2.gz RUCAONDDIOPQTN-STQMWFEESA-N 1 2 269.366 0.801 20 30 CCEDLO C[C@@H](C#N)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000537733705 390184382 /nfs/dbraw/zinc/18/43/82/390184382.db2.gz LZIPRMLEYPHJHD-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cnccn1 ZINC000493809287 390127694 /nfs/dbraw/zinc/12/76/94/390127694.db2.gz HFXGNXPCGJATNW-MUBLQREKSA-N 1 2 259.313 0.450 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cnccn1 ZINC000493809286 390127773 /nfs/dbraw/zinc/12/77/73/390127773.db2.gz HFXGNXPCGJATNW-IHVVCDCBSA-N 1 2 259.313 0.450 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2nccnc2c1 ZINC000578993276 390131936 /nfs/dbraw/zinc/13/19/36/390131936.db2.gz VCGYSVWNKAJFEN-CQSZACIVSA-N 1 2 284.323 0.598 20 30 CCEDLO C=CCN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000493959590 390136701 /nfs/dbraw/zinc/13/67/01/390136701.db2.gz FALPTNHELBXECC-LBPRGKRZSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000493959590 390136703 /nfs/dbraw/zinc/13/67/03/390136703.db2.gz FALPTNHELBXECC-LBPRGKRZSA-N 1 2 253.346 0.677 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000579796884 390208564 /nfs/dbraw/zinc/20/85/64/390208564.db2.gz XFEMALWMQKOYJB-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000579796884 390208566 /nfs/dbraw/zinc/20/85/66/390208566.db2.gz XFEMALWMQKOYJB-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO N#CCC1CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000540977803 390233388 /nfs/dbraw/zinc/23/33/88/390233388.db2.gz BCYRBLXMLBPCDJ-LBPRGKRZSA-N 1 2 299.334 0.734 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000644681139 390284438 /nfs/dbraw/zinc/28/44/38/390284438.db2.gz AQTUOCNAKOFREW-DGCLKSJQSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000644681139 390284442 /nfs/dbraw/zinc/28/44/42/390284442.db2.gz AQTUOCNAKOFREW-DGCLKSJQSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000648792754 390410644 /nfs/dbraw/zinc/41/06/44/390410644.db2.gz WLCKGLXWXADDLI-NSHDSACASA-N 1 2 274.328 0.727 20 30 CCEDLO CC(C)c1nnc(CNC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000562989799 390492319 /nfs/dbraw/zinc/49/23/19/390492319.db2.gz SHPSTWIRCUBMMK-LLVKDONJSA-N 1 2 297.428 0.957 20 30 CCEDLO CC(C)c1nnc(CNC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000562989799 390492320 /nfs/dbraw/zinc/49/23/20/390492320.db2.gz SHPSTWIRCUBMMK-LLVKDONJSA-N 1 2 297.428 0.957 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2cccn2)n1 ZINC000564872838 390497538 /nfs/dbraw/zinc/49/75/38/390497538.db2.gz SLXJGRBOJKREOB-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)nc1 ZINC000565339789 390503833 /nfs/dbraw/zinc/50/38/33/390503833.db2.gz BDUQEDJEJMSUAU-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)nc1 ZINC000565339789 390503837 /nfs/dbraw/zinc/50/38/37/390503837.db2.gz BDUQEDJEJMSUAU-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000649181575 390510728 /nfs/dbraw/zinc/51/07/28/390510728.db2.gz DIXYLYDGJSIGIQ-ILXRZTDVSA-N 1 2 296.411 0.766 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000649181575 390510732 /nfs/dbraw/zinc/51/07/32/390510732.db2.gz DIXYLYDGJSIGIQ-ILXRZTDVSA-N 1 2 296.411 0.766 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000649181577 390511066 /nfs/dbraw/zinc/51/10/66/390511066.db2.gz DIXYLYDGJSIGIQ-QLFBSQMISA-N 1 2 296.411 0.766 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000649181577 390511069 /nfs/dbraw/zinc/51/10/69/390511069.db2.gz DIXYLYDGJSIGIQ-QLFBSQMISA-N 1 2 296.411 0.766 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc(C)cn2)CC1 ZINC000505615705 390463253 /nfs/dbraw/zinc/46/32/53/390463253.db2.gz XKJMOAMWYOUDEV-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO COCc1ncsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565662424 390534104 /nfs/dbraw/zinc/53/41/04/390534104.db2.gz WZYYNSOBEZFNNY-LBPRGKRZSA-N 1 2 282.369 0.863 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938516 390536993 /nfs/dbraw/zinc/53/69/93/390536993.db2.gz DMCLLTWWMJCLTG-QWRGUYRKSA-N 1 2 273.327 0.702 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938516 390536996 /nfs/dbraw/zinc/53/69/96/390536996.db2.gz DMCLLTWWMJCLTG-QWRGUYRKSA-N 1 2 273.327 0.702 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000567798833 390711220 /nfs/dbraw/zinc/71/12/20/390711220.db2.gz TVXILZUDYUKYKD-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000567798833 390711221 /nfs/dbraw/zinc/71/12/21/390711221.db2.gz TVXILZUDYUKYKD-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO N#Cc1cc(F)ccc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000571294852 390729751 /nfs/dbraw/zinc/72/97/51/390729751.db2.gz HIMQEWWQYCLTBF-CYBMUJFWSA-N 1 2 263.272 0.431 20 30 CCEDLO Cn1cnnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000572460742 390784335 /nfs/dbraw/zinc/78/43/35/390784335.db2.gz STWLOPBAFXERIC-LBPRGKRZSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1cnnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000572460742 390784336 /nfs/dbraw/zinc/78/43/36/390784336.db2.gz STWLOPBAFXERIC-LBPRGKRZSA-N 1 2 284.323 0.735 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)nc1 ZINC000571460766 390736673 /nfs/dbraw/zinc/73/66/73/390736673.db2.gz ZFIMZLGDHWNOST-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)nc1 ZINC000571460766 390736676 /nfs/dbraw/zinc/73/66/76/390736676.db2.gz ZFIMZLGDHWNOST-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000528456512 390745886 /nfs/dbraw/zinc/74/58/86/390745886.db2.gz NDHVCTHZBBPUPU-CHWSQXEVSA-N 1 2 278.352 0.721 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000528456512 390745888 /nfs/dbraw/zinc/74/58/88/390745888.db2.gz NDHVCTHZBBPUPU-CHWSQXEVSA-N 1 2 278.352 0.721 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347336235 533239083 /nfs/dbraw/zinc/23/90/83/533239083.db2.gz ABZBNVQVEMRLNT-AAEUAGOBSA-N 1 2 283.347 0.734 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347336235 533239090 /nfs/dbraw/zinc/23/90/90/533239090.db2.gz ABZBNVQVEMRLNT-AAEUAGOBSA-N 1 2 283.347 0.734 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2nccc(C#N)n2)CC1 ZINC000571732028 390749821 /nfs/dbraw/zinc/74/98/21/390749821.db2.gz MBNAOGHSMIVQHT-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2nccc(C#N)n2)CC1 ZINC000571732028 390749823 /nfs/dbraw/zinc/74/98/23/390749823.db2.gz MBNAOGHSMIVQHT-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO N#C[C@@H]1C[N@@H+]([C@@H]2COC[C@H]2O)C[C@H]1c1ccccc1 ZINC000578201081 390869878 /nfs/dbraw/zinc/86/98/78/390869878.db2.gz ARKLZBZMXCXEEM-LXTVHRRPSA-N 1 2 258.321 0.985 20 30 CCEDLO N#C[C@@H]1C[N@H+]([C@@H]2COC[C@H]2O)C[C@H]1c1ccccc1 ZINC000578201081 390869880 /nfs/dbraw/zinc/86/98/80/390869880.db2.gz ARKLZBZMXCXEEM-LXTVHRRPSA-N 1 2 258.321 0.985 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cccc(C#N)c1 ZINC000530908163 390877963 /nfs/dbraw/zinc/87/79/63/390877963.db2.gz LUMJDSOTAOZURI-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1OC ZINC000331708989 533472990 /nfs/dbraw/zinc/47/29/90/533472990.db2.gz ZGLYNSGZYMCPTL-MBNYWOFBSA-N 1 2 281.356 0.140 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1OC ZINC000331708989 533472993 /nfs/dbraw/zinc/47/29/93/533472993.db2.gz ZGLYNSGZYMCPTL-MBNYWOFBSA-N 1 2 281.356 0.140 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456215106 533601302 /nfs/dbraw/zinc/60/13/02/533601302.db2.gz LTHXICVQFREAMB-BETUJISGSA-N 1 2 288.351 0.788 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456215106 533601312 /nfs/dbraw/zinc/60/13/12/533601312.db2.gz LTHXICVQFREAMB-BETUJISGSA-N 1 2 288.351 0.788 20 30 CCEDLO COCC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC1 ZINC000328634106 397449258 /nfs/dbraw/zinc/44/92/58/397449258.db2.gz BGOBLHQTBADHCK-STQMWFEESA-N 1 2 297.399 0.732 20 30 CCEDLO COCC1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC1 ZINC000328634106 397449262 /nfs/dbraw/zinc/44/92/62/397449262.db2.gz BGOBLHQTBADHCK-STQMWFEESA-N 1 2 297.399 0.732 20 30 CCEDLO C[N@H+](CCN1CCOCC1)C[C@@H](C#N)CCC#N ZINC000112560369 397410737 /nfs/dbraw/zinc/41/07/37/397410737.db2.gz DCHLAHAJVINQDW-CYBMUJFWSA-N 1 2 250.346 0.694 20 30 CCEDLO C[N@@H+](CCN1CCOCC1)C[C@@H](C#N)CCC#N ZINC000112560369 397410742 /nfs/dbraw/zinc/41/07/42/397410742.db2.gz DCHLAHAJVINQDW-CYBMUJFWSA-N 1 2 250.346 0.694 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C[C@@H](C#N)CCC#N ZINC000112560369 397410748 /nfs/dbraw/zinc/41/07/48/397410748.db2.gz DCHLAHAJVINQDW-CYBMUJFWSA-N 1 2 250.346 0.694 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000358666516 144170312 /nfs/dbraw/zinc/17/03/12/144170312.db2.gz PXPYBSVDUMDVRD-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000650062083 397691825 /nfs/dbraw/zinc/69/18/25/397691825.db2.gz IECUZGCPLQIZMS-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000650062083 397691827 /nfs/dbraw/zinc/69/18/27/397691827.db2.gz IECUZGCPLQIZMS-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C=C(C)CCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651132529 397835968 /nfs/dbraw/zinc/83/59/68/397835968.db2.gz YMDBTCHENUBWGK-UHFFFAOYSA-N 1 2 299.415 0.943 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652087744 411986700 /nfs/dbraw/zinc/98/67/00/411986700.db2.gz SDXMLFCLTFNFBX-LBPRGKRZSA-N 1 2 293.367 0.360 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)CCCO)nn1 ZINC000653555362 412317337 /nfs/dbraw/zinc/31/73/37/412317337.db2.gz XDDIONLANCNQFZ-UHFFFAOYSA-N 1 2 254.334 0.031 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)CCCO)nn1 ZINC000653555362 412317340 /nfs/dbraw/zinc/31/73/40/412317340.db2.gz XDDIONLANCNQFZ-UHFFFAOYSA-N 1 2 254.334 0.031 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)C[C@H](C)O)nn1 ZINC000653679116 412334422 /nfs/dbraw/zinc/33/44/22/412334422.db2.gz MQVZPJOGPHQWNT-NSHDSACASA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)C[C@H](C)O)nn1 ZINC000653679116 412334423 /nfs/dbraw/zinc/33/44/23/412334423.db2.gz MQVZPJOGPHQWNT-NSHDSACASA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@](CO)(COC)C2)nn1 ZINC000653755415 412342129 /nfs/dbraw/zinc/34/21/29/412342129.db2.gz PIXZZGKLYHJADE-CQSZACIVSA-N 1 2 280.372 0.685 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](CO)(COC)C2)nn1 ZINC000653755415 412342133 /nfs/dbraw/zinc/34/21/33/412342133.db2.gz PIXZZGKLYHJADE-CQSZACIVSA-N 1 2 280.372 0.685 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)C ZINC000037248206 173061295 /nfs/dbraw/zinc/06/12/95/173061295.db2.gz OCVMQLLIQOLPOD-LLVKDONJSA-N 1 2 288.351 0.905 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)C ZINC000037248206 173061297 /nfs/dbraw/zinc/06/12/97/173061297.db2.gz OCVMQLLIQOLPOD-LLVKDONJSA-N 1 2 288.351 0.905 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000660856326 414510212 /nfs/dbraw/zinc/51/02/12/414510212.db2.gz ITOSOEFXFLHGQO-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000660856326 414510217 /nfs/dbraw/zinc/51/02/17/414510217.db2.gz ITOSOEFXFLHGQO-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000661303552 414594420 /nfs/dbraw/zinc/59/44/20/414594420.db2.gz NOGPXEHUOMDHOU-UHFFFAOYSA-N 1 2 252.318 0.464 20 30 CCEDLO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661885369 414682680 /nfs/dbraw/zinc/68/26/80/414682680.db2.gz XHRPEUOXUBMMAE-FVCCEPFGSA-N 1 2 271.382 0.532 20 30 CCEDLO CCC#C[C@@H](C)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661885369 414682681 /nfs/dbraw/zinc/68/26/81/414682681.db2.gz XHRPEUOXUBMMAE-FVCCEPFGSA-N 1 2 271.382 0.532 20 30 CCEDLO C=C[C@H](CO)Nc1cc(C)nc([C@H](C)[NH2+][C@H](C=C)CO)n1 ZINC000662168381 414695369 /nfs/dbraw/zinc/69/53/69/414695369.db2.gz DELWAULOFKAPJY-YNEHKIRRSA-N 1 2 292.383 0.941 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665379585 415624273 /nfs/dbraw/zinc/62/42/73/415624273.db2.gz SXLWMFXNLLPJGK-TZMCWYRMSA-N 1 2 268.357 0.247 20 30 CCEDLO CC(=O)N1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328958072 545020566 /nfs/dbraw/zinc/02/05/66/545020566.db2.gz OIVSCEHTXIQLRO-JTQLQIEISA-N 1 2 262.313 0.633 20 30 CCEDLO CCn1ncnc1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000329941022 545027743 /nfs/dbraw/zinc/02/77/43/545027743.db2.gz BZIWGEQOYGUDRF-NSHDSACASA-N 1 2 296.375 0.022 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000610564926 420494691 /nfs/dbraw/zinc/49/46/91/420494691.db2.gz XOWKNFWZTNOFID-UHFFFAOYSA-N 1 2 259.273 0.310 20 30 CCEDLO CC[C@H](C(=O)N1CCO[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000408000199 260166119 /nfs/dbraw/zinc/16/61/19/260166119.db2.gz ZYNXENZLOKLVCJ-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@H](C(=O)N1CCO[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000408000199 260166120 /nfs/dbraw/zinc/16/61/20/260166120.db2.gz ZYNXENZLOKLVCJ-MGPQQGTHSA-N 1 2 295.383 0.627 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000517755202 260176245 /nfs/dbraw/zinc/17/62/45/260176245.db2.gz QRBXOVRDXOHUQG-UHFFFAOYSA-N 1 2 286.335 0.343 20 30 CCEDLO C#CC[NH+]1CCN(c2cnc(C(=O)OCC)cn2)CC1 ZINC000491037254 261301642 /nfs/dbraw/zinc/30/16/42/261301642.db2.gz COYKQSACIAMWPE-UHFFFAOYSA-N 1 2 274.324 0.409 20 30 CCEDLO C=CCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106326713 261830610 /nfs/dbraw/zinc/83/06/10/261830610.db2.gz VJHKIAOLCNZKDP-UHFFFAOYSA-N 1 2 263.345 0.433 20 30 CCEDLO C=C1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000525784774 262234709 /nfs/dbraw/zinc/23/47/09/262234709.db2.gz OJADTWXYERZHIS-UHFFFAOYSA-N 1 2 284.385 0.350 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000412450808 262730834 /nfs/dbraw/zinc/73/08/34/262730834.db2.gz VSDDWIFXXRMXOE-WFASDCNBSA-N 1 2 295.383 0.342 20 30 CCEDLO CO/N=C/C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000283228929 263082085 /nfs/dbraw/zinc/08/20/85/263082085.db2.gz IPTMHXVTIMDTEP-VZUCSPMQSA-N 1 2 254.315 0.702 20 30 CCEDLO CO/N=C/C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000283228929 263082086 /nfs/dbraw/zinc/08/20/86/263082086.db2.gz IPTMHXVTIMDTEP-VZUCSPMQSA-N 1 2 254.315 0.702 20 30 CCEDLO Cc1c[nH]nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000283867734 263084537 /nfs/dbraw/zinc/08/45/37/263084537.db2.gz FASOIOWEOPIXGH-UHFFFAOYSA-N 1 2 277.372 0.766 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccccc1F)[C@@H]1CCCO1 ZINC000284557765 263087431 /nfs/dbraw/zinc/08/74/31/263087431.db2.gz WDUNGMDINMCOCL-LBPRGKRZSA-N 1 2 295.314 0.910 20 30 CCEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284549771 263087470 /nfs/dbraw/zinc/08/74/70/263087470.db2.gz VXBCKPSLJDXTIR-HTQZYQBOSA-N 1 2 270.289 0.745 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340238266 263099369 /nfs/dbraw/zinc/09/93/69/263099369.db2.gz YKXZMGDJKMMYCR-UHFFFAOYSA-N 1 2 290.367 0.798 20 30 CCEDLO Cn1nncc1CO[NH+]=C(N)COc1ccccc1 ZINC000289476986 263110486 /nfs/dbraw/zinc/11/04/86/263110486.db2.gz XPMJYZRXOOGHQC-UHFFFAOYSA-N 1 2 261.285 0.683 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000292822158 263135323 /nfs/dbraw/zinc/13/53/23/263135323.db2.gz OCCSLHQPGBASCO-UHFFFAOYSA-N 1 2 288.351 0.770 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000340570328 263204734 /nfs/dbraw/zinc/20/47/34/263204734.db2.gz OISHOOPQYUWLBJ-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341705951 263347318 /nfs/dbraw/zinc/34/73/18/263347318.db2.gz LEKGMEPDFMSRKI-XGUBFFRZSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341705951 263347319 /nfs/dbraw/zinc/34/73/19/263347319.db2.gz LEKGMEPDFMSRKI-XGUBFFRZSA-N 1 2 294.395 0.899 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000341860536 263356611 /nfs/dbraw/zinc/35/66/11/263356611.db2.gz RKCWHPUDPMUPSG-CHWSQXEVSA-N 1 2 285.388 0.191 20 30 CCEDLO CCS(=O)(=O)NCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341987129 263381215 /nfs/dbraw/zinc/38/12/15/263381215.db2.gz GRIUPJFRFPWZNB-UHFFFAOYSA-N 1 2 289.401 0.178 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342151500 263399344 /nfs/dbraw/zinc/39/93/44/263399344.db2.gz RCBFFIPCYYCORT-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342151500 263399346 /nfs/dbraw/zinc/39/93/46/263399346.db2.gz RCBFFIPCYYCORT-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960661230 649856983 /nfs/dbraw/zinc/85/69/83/649856983.db2.gz YZUDNSPECOWXOB-NMKXLXIOSA-N 1 2 285.351 0.015 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)N(C)CCC#N ZINC000330697997 264005551 /nfs/dbraw/zinc/00/55/51/264005551.db2.gz GAURTFPZJMLNFT-UHFFFAOYSA-N 1 2 299.400 0.719 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330837907 264051792 /nfs/dbraw/zinc/05/17/92/264051792.db2.gz LESDNXLHIGENFL-YPMHNXCESA-N 1 2 285.413 0.451 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330837907 264051794 /nfs/dbraw/zinc/05/17/94/264051794.db2.gz LESDNXLHIGENFL-YPMHNXCESA-N 1 2 285.413 0.451 20 30 CCEDLO CC(C)[C@H](O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330903955 264073906 /nfs/dbraw/zinc/07/39/06/264073906.db2.gz LUEWEHHKKKFGLO-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@H](O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330903955 264073908 /nfs/dbraw/zinc/07/39/08/264073908.db2.gz LUEWEHHKKKFGLO-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330937029 264082070 /nfs/dbraw/zinc/08/20/70/264082070.db2.gz TZVFYJXAGSFPMZ-OLZOCXBDSA-N 1 2 286.420 0.143 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330937029 264082071 /nfs/dbraw/zinc/08/20/71/264082071.db2.gz TZVFYJXAGSFPMZ-OLZOCXBDSA-N 1 2 286.420 0.143 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)CC(C)(C)C#N ZINC000330971677 264092319 /nfs/dbraw/zinc/09/23/19/264092319.db2.gz TZAMFUMKEBKBIA-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000331157208 264141925 /nfs/dbraw/zinc/14/19/25/264141925.db2.gz QAETYSIFXMTHHM-SNVBAGLBSA-N 1 2 262.361 0.891 20 30 CCEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000331157208 264141928 /nfs/dbraw/zinc/14/19/28/264141928.db2.gz QAETYSIFXMTHHM-SNVBAGLBSA-N 1 2 262.361 0.891 20 30 CCEDLO CC(C)[C@@H](NS(=O)(=O)N(C)CCC#N)c1[nH]cc[nH+]1 ZINC000331341959 264195297 /nfs/dbraw/zinc/19/52/97/264195297.db2.gz SVEKSHMPVVAXGY-SNVBAGLBSA-N 1 2 285.373 0.787 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cnccn1 ZINC000331356284 264208177 /nfs/dbraw/zinc/20/81/77/264208177.db2.gz RSVULOCAVIMNFJ-UHFFFAOYSA-N 1 2 264.329 0.892 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000071080736 264242784 /nfs/dbraw/zinc/24/27/84/264242784.db2.gz LKCNXTKUGXEOHX-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000071080736 264242787 /nfs/dbraw/zinc/24/27/87/264242787.db2.gz LKCNXTKUGXEOHX-GFCCVEGCSA-N 1 2 267.373 0.751 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)OC)C1=O ZINC000281204281 264477797 /nfs/dbraw/zinc/47/77/97/264477797.db2.gz CSAOOQYSHYDWSU-WDEREUQCSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)C(=O)OC)C1=O ZINC000281204281 264477798 /nfs/dbraw/zinc/47/77/98/264477798.db2.gz CSAOOQYSHYDWSU-WDEREUQCSA-N 1 2 254.330 0.657 20 30 CCEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000520589719 265860905 /nfs/dbraw/zinc/86/09/05/265860905.db2.gz FHOVPOIEXLYYJV-HZMBPMFUSA-N 1 2 283.372 0.924 20 30 CCEDLO C=CCCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000356520398 266129664 /nfs/dbraw/zinc/12/96/64/266129664.db2.gz RNHOXPYMQWEYCF-ZDUSSCGKSA-N 1 2 263.385 0.849 20 30 CCEDLO N#CCC1(O)CN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000356572428 266139525 /nfs/dbraw/zinc/13/95/25/266139525.db2.gz DUVBKNGFWUZYBY-UHFFFAOYSA-N 1 2 287.310 0.450 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356735141 266166851 /nfs/dbraw/zinc/16/68/51/266166851.db2.gz DSSNUVBLAIHVEX-GRYCIOLGSA-N 1 2 251.330 0.468 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000368891268 267212096 /nfs/dbraw/zinc/21/20/96/267212096.db2.gz BMRGPYKXNZCQPU-WFASDCNBSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000368891268 267212100 /nfs/dbraw/zinc/21/21/00/267212100.db2.gz BMRGPYKXNZCQPU-WFASDCNBSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369293618 267232207 /nfs/dbraw/zinc/23/22/07/267232207.db2.gz LXASJIBZDBXANQ-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369293618 267232209 /nfs/dbraw/zinc/23/22/09/267232209.db2.gz LXASJIBZDBXANQ-YPMHNXCESA-N 1 2 254.330 0.168 20 30 CCEDLO Cc1cc(NCC2(S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000399490651 267300047 /nfs/dbraw/zinc/30/00/47/267300047.db2.gz GPLDBTSJFLYRGM-UHFFFAOYSA-N 1 2 265.338 0.673 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N(C)CCC#N ZINC000119259396 267313555 /nfs/dbraw/zinc/31/35/55/267313555.db2.gz FOAIZTDPWTULNV-LLVKDONJSA-N 1 2 268.361 0.205 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N(C)CCC#N ZINC000119259396 267313557 /nfs/dbraw/zinc/31/35/57/267313557.db2.gz FOAIZTDPWTULNV-LLVKDONJSA-N 1 2 268.361 0.205 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370556877 267328208 /nfs/dbraw/zinc/32/82/08/267328208.db2.gz IPUNNIYAQJVXHX-QWHCGFSZSA-N 1 2 295.383 0.936 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370556877 267328210 /nfs/dbraw/zinc/32/82/10/267328210.db2.gz IPUNNIYAQJVXHX-QWHCGFSZSA-N 1 2 295.383 0.936 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371824618 267467454 /nfs/dbraw/zinc/46/74/54/267467454.db2.gz XGHJWYDNMANVJS-HIFRSBDPSA-N 1 2 294.399 0.057 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371824618 267467455 /nfs/dbraw/zinc/46/74/55/267467455.db2.gz XGHJWYDNMANVJS-HIFRSBDPSA-N 1 2 294.399 0.057 20 30 CCEDLO CC#CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000377095183 268047413 /nfs/dbraw/zinc/04/74/13/268047413.db2.gz QUEPUQOHEBSRJW-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000377095183 268047414 /nfs/dbraw/zinc/04/74/14/268047414.db2.gz QUEPUQOHEBSRJW-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000519177286 268164483 /nfs/dbraw/zinc/16/44/83/268164483.db2.gz ZQKBWOGNBSXERT-CYBMUJFWSA-N 1 2 263.272 0.431 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C#N)o3)CCN2C1=O ZINC000362011729 276357496 /nfs/dbraw/zinc/35/74/96/276357496.db2.gz MPJLJMNKLVOITN-GFCCVEGCSA-N 1 2 288.307 0.620 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C#N)o3)CCN2C1=O ZINC000362011729 276357497 /nfs/dbraw/zinc/35/74/97/276357497.db2.gz MPJLJMNKLVOITN-GFCCVEGCSA-N 1 2 288.307 0.620 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ncc[nH]3)CC2)C1=O ZINC000331895110 277860969 /nfs/dbraw/zinc/86/09/69/277860969.db2.gz IEFSHFLQQFNCOY-ZDUSSCGKSA-N 1 2 289.383 0.314 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330176185 288336121 /nfs/dbraw/zinc/33/61/21/288336121.db2.gz CBCKTGRHWYERIQ-MNOVXSKESA-N 1 2 264.329 0.833 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCOC1 ZINC000329225462 288711048 /nfs/dbraw/zinc/71/10/48/288711048.db2.gz GHNAPTMYUZAKMF-RDBSUJKOSA-N 1 2 297.399 0.874 20 30 CCEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)C1 ZINC000329732919 295389407 /nfs/dbraw/zinc/38/94/07/295389407.db2.gz JFHPOGIGHHKBBY-QMMMGPOBSA-N 1 2 263.301 0.453 20 30 CCEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)C1 ZINC000329732919 295389409 /nfs/dbraw/zinc/38/94/09/295389409.db2.gz JFHPOGIGHHKBBY-QMMMGPOBSA-N 1 2 263.301 0.453 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329896437 298244106 /nfs/dbraw/zinc/24/41/06/298244106.db2.gz KXTINRSPLFWNMY-YGRLFVJLSA-N 1 2 297.355 0.899 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329896437 298244108 /nfs/dbraw/zinc/24/41/08/298244108.db2.gz KXTINRSPLFWNMY-YGRLFVJLSA-N 1 2 297.355 0.899 20 30 CCEDLO CCC[C@H]([NH2+]C[C@H]1CNc2c(C#N)cnn2C1)C(=O)OC ZINC000570964442 327965662 /nfs/dbraw/zinc/96/56/62/327965662.db2.gz RYFVZYCQMJMWJV-JQWIXIFHSA-N 1 2 291.355 0.728 20 30 CCEDLO C=CCCOCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338184964 327970210 /nfs/dbraw/zinc/97/02/10/327970210.db2.gz KLMZXNMELVRQAU-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000541016244 328040056 /nfs/dbraw/zinc/04/00/56/328040056.db2.gz JZKMFYLJHFEVGH-LBPRGKRZSA-N 1 2 290.371 0.407 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[C@H](C#N)C1 ZINC000563425422 328065796 /nfs/dbraw/zinc/06/57/96/328065796.db2.gz PZFPJXCZKYCEMQ-JGVFFNPUSA-N 1 2 257.301 0.880 20 30 CCEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC000563469818 328069007 /nfs/dbraw/zinc/06/90/07/328069007.db2.gz QJOWWNLCSQZEEK-NWDGAFQWSA-N 1 2 289.339 0.805 20 30 CCEDLO COCCN(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571291776 328099791 /nfs/dbraw/zinc/09/97/91/328099791.db2.gz UBRPLVYTRMOMQW-LLVKDONJSA-N 1 2 250.302 0.833 20 30 CCEDLO Cn1cc(N2CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C2=O)cn1 ZINC000571560899 328134101 /nfs/dbraw/zinc/13/41/01/328134101.db2.gz IIECYADOFFXPSR-AAEUAGOBSA-N 1 2 286.339 0.559 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000267113652 328173062 /nfs/dbraw/zinc/17/30/62/328173062.db2.gz YEXCVAUUXPNRBN-QMMMGPOBSA-N 1 2 294.277 0.999 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000267113652 328173063 /nfs/dbraw/zinc/17/30/63/328173063.db2.gz YEXCVAUUXPNRBN-QMMMGPOBSA-N 1 2 294.277 0.999 20 30 CCEDLO CCOc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000274385970 328210904 /nfs/dbraw/zinc/21/09/04/328210904.db2.gz UIRSJNKSFJTUDW-UHFFFAOYSA-N 1 2 281.312 0.695 20 30 CCEDLO C=C(C)C[N@@H+](CC)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120397832 328344287 /nfs/dbraw/zinc/34/42/87/328344287.db2.gz WMWOERFHRCJYEN-UHFFFAOYSA-N 1 2 291.355 0.358 20 30 CCEDLO C=C(C)C[N@H+](CC)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000120397832 328344288 /nfs/dbraw/zinc/34/42/88/328344288.db2.gz WMWOERFHRCJYEN-UHFFFAOYSA-N 1 2 291.355 0.358 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000076185821 328485683 /nfs/dbraw/zinc/48/56/83/328485683.db2.gz IOIPAFNTQPPVGF-GXTWGEPZSA-N 1 2 278.352 0.259 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000558685507 327113978 /nfs/dbraw/zinc/11/39/78/327113978.db2.gz PWHHEZXRVAAGGA-SNVBAGLBSA-N 1 2 283.357 0.219 20 30 CCEDLO C#CC[N@H+](CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000092194531 327188153 /nfs/dbraw/zinc/18/81/53/327188153.db2.gz TZWIPZUIWKVTGQ-ZDUSSCGKSA-N 1 2 269.366 0.455 20 30 CCEDLO C#CC[N@@H+](CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000092194531 327188155 /nfs/dbraw/zinc/18/81/55/327188155.db2.gz TZWIPZUIWKVTGQ-ZDUSSCGKSA-N 1 2 269.366 0.455 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000408205248 327242578 /nfs/dbraw/zinc/24/25/78/327242578.db2.gz PVWBIWFPKJNQOC-CYBMUJFWSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000408205248 327242580 /nfs/dbraw/zinc/24/25/80/327242580.db2.gz PVWBIWFPKJNQOC-CYBMUJFWSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000560485048 327313135 /nfs/dbraw/zinc/31/31/35/327313135.db2.gz ROEAPRCCKLNXQO-QWRGUYRKSA-N 1 2 278.356 0.100 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000560485048 327313136 /nfs/dbraw/zinc/31/31/36/327313136.db2.gz ROEAPRCCKLNXQO-QWRGUYRKSA-N 1 2 278.356 0.100 20 30 CCEDLO N#CCCCCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182443869 327394527 /nfs/dbraw/zinc/39/45/27/327394527.db2.gz MEUFWCOCQBFQTD-UHFFFAOYSA-N 1 2 289.401 0.010 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CSCC#N)C1 ZINC000378266492 329044462 /nfs/dbraw/zinc/04/44/62/329044462.db2.gz XMRJNUIEOFVHOU-JTQLQIEISA-N 1 2 264.354 0.993 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000378326152 329046173 /nfs/dbraw/zinc/04/61/73/329046173.db2.gz KWFAJDQTOSRDIJ-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000378326152 329046175 /nfs/dbraw/zinc/04/61/75/329046175.db2.gz KWFAJDQTOSRDIJ-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000174050404 329156728 /nfs/dbraw/zinc/15/67/28/329156728.db2.gz LSNQSOPCEVARPN-UHFFFAOYSA-N 1 2 284.315 0.600 20 30 CCEDLO N#CCc1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178779508 329200623 /nfs/dbraw/zinc/20/06/23/329200623.db2.gz JAZQMIIUKPVUSL-OAHLLOKOSA-N 1 2 284.363 0.482 20 30 CCEDLO CC(C)(O)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000583848367 329487738 /nfs/dbraw/zinc/48/77/38/329487738.db2.gz COKIJPKXHQGTBK-UHFFFAOYSA-N 1 2 297.399 0.612 20 30 CCEDLO C#CC[N@@H+](CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000117339321 330364551 /nfs/dbraw/zinc/36/45/51/330364551.db2.gz MNUOWVHYJRDOBM-NSHDSACASA-N 1 2 273.354 0.062 20 30 CCEDLO C#CC[N@H+](CCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000117339321 330364552 /nfs/dbraw/zinc/36/45/52/330364552.db2.gz MNUOWVHYJRDOBM-NSHDSACASA-N 1 2 273.354 0.062 20 30 CCEDLO C=CCC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000450899633 331005785 /nfs/dbraw/zinc/00/57/85/331005785.db2.gz SYKUEOGMFSCKFU-SNVBAGLBSA-N 1 2 251.334 0.407 20 30 CCEDLO C=CCC[C@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000450899633 331005786 /nfs/dbraw/zinc/00/57/86/331005786.db2.gz SYKUEOGMFSCKFU-SNVBAGLBSA-N 1 2 251.334 0.407 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451443356 331029737 /nfs/dbraw/zinc/02/97/37/331029737.db2.gz YUWIBEFLYQRTNN-OLZOCXBDSA-N 1 2 289.326 0.743 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451443356 331029738 /nfs/dbraw/zinc/02/97/38/331029738.db2.gz YUWIBEFLYQRTNN-OLZOCXBDSA-N 1 2 289.326 0.743 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000489206644 332043184 /nfs/dbraw/zinc/04/31/84/332043184.db2.gz NSHSTUDVWUGTQN-OLZOCXBDSA-N 1 2 290.429 0.981 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1scnc1C ZINC000489469609 332054684 /nfs/dbraw/zinc/05/46/84/332054684.db2.gz KUHFZOITVNXIFZ-UHFFFAOYSA-N 1 2 282.369 0.540 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1scnc1C ZINC000489469609 332054685 /nfs/dbraw/zinc/05/46/85/332054685.db2.gz KUHFZOITVNXIFZ-UHFFFAOYSA-N 1 2 282.369 0.540 20 30 CCEDLO C#CCN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000490618038 332096074 /nfs/dbraw/zinc/09/60/74/332096074.db2.gz UHLCRVURGNLRQV-ZDUSSCGKSA-N 1 2 263.385 0.685 20 30 CCEDLO C#CC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000490618038 332096075 /nfs/dbraw/zinc/09/60/75/332096075.db2.gz UHLCRVURGNLRQV-ZDUSSCGKSA-N 1 2 263.385 0.685 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000490676401 332102518 /nfs/dbraw/zinc/10/25/18/332102518.db2.gz HPPDJLJOQTXWHS-OWCLPIDISA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000490676401 332102520 /nfs/dbraw/zinc/10/25/20/332102520.db2.gz HPPDJLJOQTXWHS-OWCLPIDISA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000490690485 332104749 /nfs/dbraw/zinc/10/47/49/332104749.db2.gz RXUQECULPKVNFZ-UHFFFAOYSA-N 1 2 290.363 0.357 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000490690485 332104750 /nfs/dbraw/zinc/10/47/50/332104750.db2.gz RXUQECULPKVNFZ-UHFFFAOYSA-N 1 2 290.363 0.357 20 30 CCEDLO C#CCN(CC#CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000490699256 332106073 /nfs/dbraw/zinc/10/60/73/332106073.db2.gz PRHZGYQWHOSMSV-UHFFFAOYSA-N 1 2 279.303 0.761 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000490761909 332113596 /nfs/dbraw/zinc/11/35/96/332113596.db2.gz XZLQARMGPDNKKU-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000490761909 332113598 /nfs/dbraw/zinc/11/35/98/332113598.db2.gz XZLQARMGPDNKKU-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000490850916 332120364 /nfs/dbraw/zinc/12/03/64/332120364.db2.gz CIVIAKUIUWLMNZ-LLVKDONJSA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000490850916 332120366 /nfs/dbraw/zinc/12/03/66/332120366.db2.gz CIVIAKUIUWLMNZ-LLVKDONJSA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCN(CC#C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491071352 332146383 /nfs/dbraw/zinc/14/63/83/332146383.db2.gz KBOKJDJPAXUIRO-UHFFFAOYSA-N 1 2 251.289 0.972 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000491154863 332158131 /nfs/dbraw/zinc/15/81/31/332158131.db2.gz MPDIQNHYPSRDMO-UHFFFAOYSA-N 1 2 280.368 0.790 20 30 CCEDLO C#CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491380682 332200724 /nfs/dbraw/zinc/20/07/24/332200724.db2.gz APHJWOHWFHPMIW-UHFFFAOYSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000491427352 332209582 /nfs/dbraw/zinc/20/95/82/332209582.db2.gz KMXJUYRRAOSJOG-UHFFFAOYSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000491460758 332215518 /nfs/dbraw/zinc/21/55/18/332215518.db2.gz AUIDHSHVIDLZAZ-ZDUSSCGKSA-N 1 2 288.351 0.927 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000491486436 332220888 /nfs/dbraw/zinc/22/08/88/332220888.db2.gz WCYCYTSEESRJST-GFCCVEGCSA-N 1 2 267.373 0.666 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)OC)n1 ZINC000491542636 332233260 /nfs/dbraw/zinc/23/32/60/332233260.db2.gz BHNDSMCRFDKWAL-UHFFFAOYSA-N 1 2 279.340 0.528 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)OC)n1 ZINC000491542636 332233261 /nfs/dbraw/zinc/23/32/61/332233261.db2.gz BHNDSMCRFDKWAL-UHFFFAOYSA-N 1 2 279.340 0.528 20 30 CCEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491639065 332259294 /nfs/dbraw/zinc/25/92/94/332259294.db2.gz WMNSGKKGYDVVAX-UHFFFAOYSA-N 1 2 280.287 0.368 20 30 CCEDLO C#CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491639293 332259409 /nfs/dbraw/zinc/25/94/09/332259409.db2.gz YLMFHWYIOMXSJV-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2[nH]cc[nH+]2)n1 ZINC000491682576 332285327 /nfs/dbraw/zinc/28/53/27/332285327.db2.gz SOFQITNXUWTCNG-UHFFFAOYSA-N 1 2 273.340 0.888 20 30 CCEDLO C#C[C@H]1COCCN1CC(C)C[N@@H+]1CCOC[C@@H]1C#C ZINC000491683549 332285883 /nfs/dbraw/zinc/28/58/83/332285883.db2.gz ZQIIMCRFGPVXRI-HOTGVXAUSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@H]1COCCN1CC(C)C[N@H+]1CCOC[C@@H]1C#C ZINC000491683549 332285884 /nfs/dbraw/zinc/28/58/84/332285884.db2.gz ZQIIMCRFGPVXRI-HOTGVXAUSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000491711073 332302754 /nfs/dbraw/zinc/30/27/54/332302754.db2.gz UKJFSMXLRBAOBO-CVEARBPZSA-N 1 2 275.348 0.898 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000491711073 332302755 /nfs/dbraw/zinc/30/27/55/332302755.db2.gz UKJFSMXLRBAOBO-CVEARBPZSA-N 1 2 275.348 0.898 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(CC)cn2)CC1 ZINC000491724573 332309001 /nfs/dbraw/zinc/30/90/01/332309001.db2.gz FXJKTKBWVRGQFT-UHFFFAOYSA-N 1 2 260.341 0.223 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000491774351 332340403 /nfs/dbraw/zinc/34/04/03/332340403.db2.gz UDVZYUPYSUJRCY-VXGBXAGGSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000491774351 332340404 /nfs/dbraw/zinc/34/04/04/332340404.db2.gz UDVZYUPYSUJRCY-VXGBXAGGSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N(C)C2CCOCC2)CC1 ZINC000491777764 332342987 /nfs/dbraw/zinc/34/29/87/332342987.db2.gz HVBJQVKHYBXXST-UHFFFAOYSA-N 1 2 265.357 0.468 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000491786083 332348782 /nfs/dbraw/zinc/34/87/82/332348782.db2.gz OGIKJEVGJRETDA-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCC[C@H]1C ZINC000491786083 332348783 /nfs/dbraw/zinc/34/87/83/332348783.db2.gz OGIKJEVGJRETDA-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000491795944 332354891 /nfs/dbraw/zinc/35/48/91/332354891.db2.gz YEJFEYSVYOAYLP-LBPRGKRZSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000491795944 332354892 /nfs/dbraw/zinc/35/48/92/332354892.db2.gz YEJFEYSVYOAYLP-LBPRGKRZSA-N 1 2 274.320 0.508 20 30 CCEDLO C=CCOC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000492862012 332416577 /nfs/dbraw/zinc/41/65/77/332416577.db2.gz KLGXMGJTUGUXKV-WYGGZMRJSA-N 1 2 279.296 0.283 20 30 CCEDLO CCOC(=O)NCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496337070 332546667 /nfs/dbraw/zinc/54/66/67/332546667.db2.gz CUTAJHWIGUXCSC-CYBMUJFWSA-N 1 2 284.360 0.473 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000088218540 333087143 /nfs/dbraw/zinc/08/71/43/333087143.db2.gz WTWHARCUNUESAF-UHFFFAOYSA-N 1 2 250.220 0.936 20 30 CCEDLO Cn1cc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000517166998 333093822 /nfs/dbraw/zinc/09/38/22/333093822.db2.gz WNQNPYWLIDGUNT-LBPRGKRZSA-N 1 2 287.323 0.288 20 30 CCEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccnn1C ZINC000575872763 335126807 /nfs/dbraw/zinc/12/68/07/335126807.db2.gz YDAAEPVHSVBZQS-GXFFZTMASA-N 1 2 263.345 0.484 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2cccnc2OC)CC1 ZINC000195216728 333248373 /nfs/dbraw/zinc/24/83/73/333248373.db2.gz BKEOSMITYRKUAT-UHFFFAOYSA-N 1 2 274.324 0.873 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC)CC(=O)NC(C)C ZINC000575932063 335132964 /nfs/dbraw/zinc/13/29/64/335132964.db2.gz AFDGCOOAWAYXGI-GFCCVEGCSA-N 1 2 282.388 0.641 20 30 CCEDLO COC(=O)[C@H](O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000135338643 334126453 /nfs/dbraw/zinc/12/64/53/334126453.db2.gz HTAACTMHSLENQQ-WCQYABFASA-N 1 2 279.340 0.676 20 30 CCEDLO CCN1CCN(C(=O)NC[C@@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548019845 334135210 /nfs/dbraw/zinc/13/52/10/334135210.db2.gz IZHKQXXCLSNBNZ-NWDGAFQWSA-N 1 2 290.371 0.958 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(C#N)CC1 ZINC000565399330 334559546 /nfs/dbraw/zinc/55/95/46/334559546.db2.gz OVMJIIYGOAWDTA-UHFFFAOYSA-N 1 2 266.345 0.264 20 30 CCEDLO Cc1csc(=O)n1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580689955 335328669 /nfs/dbraw/zinc/32/86/69/335328669.db2.gz YZATZGRWJJAQJZ-CYBMUJFWSA-N 1 2 296.396 0.568 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C#N ZINC000350475122 533860302 /nfs/dbraw/zinc/86/03/02/533860302.db2.gz CGXZQCYEEZBBHK-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430259203 517340030 /nfs/dbraw/zinc/34/00/30/517340030.db2.gz QFGQTWOOCFCWIF-NEPJUHHUSA-N 1 2 278.356 0.682 20 30 CCEDLO Cc1nc(N2CC(NC(=O)C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330212454 534435402 /nfs/dbraw/zinc/43/54/02/534435402.db2.gz KEZWRDOYZPSOBP-UHFFFAOYSA-N 1 2 276.344 0.801 20 30 CCEDLO Cc1nc(N(C)C)nc(N2CC(NC(=O)C3CC3)C2)[nH+]1 ZINC000330212454 534435411 /nfs/dbraw/zinc/43/54/11/534435411.db2.gz KEZWRDOYZPSOBP-UHFFFAOYSA-N 1 2 276.344 0.801 20 30 CCEDLO Cc1ocnc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329126537 534588280 /nfs/dbraw/zinc/58/82/80/534588280.db2.gz UJIHLRGBGUJCSE-GFCCVEGCSA-N 1 2 294.355 0.804 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665941147 545110239 /nfs/dbraw/zinc/11/02/39/545110239.db2.gz UJFSYSGDRXFGDO-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665941147 545110240 /nfs/dbraw/zinc/11/02/40/545110240.db2.gz UJFSYSGDRXFGDO-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666125244 545113685 /nfs/dbraw/zinc/11/36/85/545113685.db2.gz WNJMIUCOAIKPHQ-UHFFFAOYSA-N 1 2 293.371 0.913 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)C2(C)COC2)CC1 ZINC000329433173 526624803 /nfs/dbraw/zinc/62/48/03/526624803.db2.gz ICINROCLPUMVLK-UHFFFAOYSA-N 1 2 269.345 0.144 20 30 CCEDLO C=C(C)COCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000354963708 526631514 /nfs/dbraw/zinc/63/15/14/526631514.db2.gz OHECZGLNFPOTBC-UHFFFAOYSA-N 1 2 285.388 0.152 20 30 CCEDLO C=C(C)COCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000354963708 526631517 /nfs/dbraw/zinc/63/15/17/526631517.db2.gz OHECZGLNFPOTBC-UHFFFAOYSA-N 1 2 285.388 0.152 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352698993 526634219 /nfs/dbraw/zinc/63/42/19/526634219.db2.gz NWIKLXMLAHFAPQ-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC000347243004 527904523 /nfs/dbraw/zinc/90/45/23/527904523.db2.gz YKRMVBCXJZTXGI-VIFPVBQESA-N 1 2 293.289 0.794 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC000347243004 527904525 /nfs/dbraw/zinc/90/45/25/527904525.db2.gz YKRMVBCXJZTXGI-VIFPVBQESA-N 1 2 293.289 0.794 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347386549 528692050 /nfs/dbraw/zinc/69/20/50/528692050.db2.gz YRVAKHIZICSCJK-OCCSQVGLSA-N 1 2 285.363 0.791 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347386549 528692055 /nfs/dbraw/zinc/69/20/55/528692055.db2.gz YRVAKHIZICSCJK-OCCSQVGLSA-N 1 2 285.363 0.791 20 30 CCEDLO CCC(CC)(NC(=O)C1C[NH+](CC2(C#N)CC2)C1)C(N)=O ZINC000353205107 528710122 /nfs/dbraw/zinc/71/01/22/528710122.db2.gz ODXMUWGITOGYQC-UHFFFAOYSA-N 1 2 292.383 0.382 20 30 CCEDLO CCO[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346533518 529094798 /nfs/dbraw/zinc/09/47/98/529094798.db2.gz NPXLNGDKBGZFLB-ZDUSSCGKSA-N 1 2 283.372 0.486 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000352619715 529150215 /nfs/dbraw/zinc/15/02/15/529150215.db2.gz WALFNQYDAWBZAP-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000352619715 529150216 /nfs/dbraw/zinc/15/02/16/529150216.db2.gz WALFNQYDAWBZAP-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000677048165 545357337 /nfs/dbraw/zinc/35/73/37/545357337.db2.gz OHSKMUKULGAXGF-OLZOCXBDSA-N 1 2 268.357 0.247 20 30 CCEDLO COCC#CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000677132596 545358063 /nfs/dbraw/zinc/35/80/63/545358063.db2.gz IDSVEAIANQBGAJ-UHFFFAOYSA-N 1 2 293.411 0.266 20 30 CCEDLO COCC#CC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000677818967 545373428 /nfs/dbraw/zinc/37/34/28/545373428.db2.gz MKAYECNIPUZYPR-QWHCGFSZSA-N 1 2 273.398 0.924 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000677818967 545373429 /nfs/dbraw/zinc/37/34/29/545373429.db2.gz MKAYECNIPUZYPR-QWHCGFSZSA-N 1 2 273.398 0.924 20 30 CCEDLO COCC#CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000677820482 545373882 /nfs/dbraw/zinc/37/38/82/545373882.db2.gz OXKALQMSMLDJSD-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO CCC#C[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000678974903 545400642 /nfs/dbraw/zinc/40/06/42/545400642.db2.gz HTJWRBUITNVLMK-RYUDHWBXSA-N 1 2 258.387 0.754 20 30 CCEDLO CCC#C[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000678974903 545400643 /nfs/dbraw/zinc/40/06/43/545400643.db2.gz HTJWRBUITNVLMK-RYUDHWBXSA-N 1 2 258.387 0.754 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777632252 581125482 /nfs/dbraw/zinc/12/54/82/581125482.db2.gz NZUXDBBNFZZNTF-LLVKDONJSA-N 1 2 262.313 0.147 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000725828323 581143281 /nfs/dbraw/zinc/14/32/81/581143281.db2.gz BXNAEXZRNYLNHO-ZDUSSCGKSA-N 1 2 286.397 0.136 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(C#N)CCOCC1 ZINC000782295911 581144582 /nfs/dbraw/zinc/14/45/82/581144582.db2.gz OMDKZVGYSIMMBQ-GFCCVEGCSA-N 1 2 282.340 0.571 20 30 CCEDLO C#CC[N@@H+](CC#CC)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790287018 581182815 /nfs/dbraw/zinc/18/28/15/581182815.db2.gz JZJHMJAADFLJSS-HNNXBMFYSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@H+](CC#CC)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790287018 581182817 /nfs/dbraw/zinc/18/28/17/581182817.db2.gz JZJHMJAADFLJSS-HNNXBMFYSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000791172005 581209264 /nfs/dbraw/zinc/20/92/64/581209264.db2.gz CCAQMROYWJIWTP-UPJWGTAASA-N 1 2 282.409 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000791172005 581209265 /nfs/dbraw/zinc/20/92/65/581209265.db2.gz CCAQMROYWJIWTP-UPJWGTAASA-N 1 2 282.409 0.452 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777039579 581104197 /nfs/dbraw/zinc/10/41/97/581104197.db2.gz ZGMTVRBWBBVYQW-CYBMUJFWSA-N 1 2 258.281 0.993 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCc1c[nH+]cn1C ZINC000790074083 581176030 /nfs/dbraw/zinc/17/60/30/581176030.db2.gz AOIJIFMCGLZLJO-UHFFFAOYSA-N 1 2 279.340 0.930 20 30 CCEDLO C#CCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790132959 581177486 /nfs/dbraw/zinc/17/74/86/581177486.db2.gz SFHPLYLXGJXGRJ-CYBMUJFWSA-N 1 2 252.358 0.969 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000791423129 581221135 /nfs/dbraw/zinc/22/11/35/581221135.db2.gz RNAJXUMFXFPICM-CYBMUJFWSA-N 1 2 288.413 0.118 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000749522651 581296412 /nfs/dbraw/zinc/29/64/12/581296412.db2.gz FBRZBKBNJUTUFU-GFCCVEGCSA-N 1 2 258.281 0.590 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000749522651 581296414 /nfs/dbraw/zinc/29/64/14/581296414.db2.gz FBRZBKBNJUTUFU-GFCCVEGCSA-N 1 2 258.281 0.590 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000793745337 581310482 /nfs/dbraw/zinc/31/04/82/581310482.db2.gz UUIHNYOPHNRFBK-UHFFFAOYSA-N 1 2 298.346 0.789 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000783618096 581353064 /nfs/dbraw/zinc/35/30/64/581353064.db2.gz LWBWLJIXBJVOKC-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000783618096 581353066 /nfs/dbraw/zinc/35/30/66/581353066.db2.gz LWBWLJIXBJVOKC-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C#Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000728802749 581372071 /nfs/dbraw/zinc/37/20/71/581372071.db2.gz XMINCWGACJOXRE-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794831092 581389302 /nfs/dbraw/zinc/38/93/02/581389302.db2.gz CAKNWQOGOMPSQW-ZDUSSCGKSA-N 1 2 299.334 0.436 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794831092 581389304 /nfs/dbraw/zinc/38/93/04/581389304.db2.gz CAKNWQOGOMPSQW-ZDUSSCGKSA-N 1 2 299.334 0.436 20 30 CCEDLO N#C[C@]1(F)CCN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000786090287 581430051 /nfs/dbraw/zinc/43/00/51/581430051.db2.gz JANCFRZPPDJPHZ-GFCCVEGCSA-N 1 2 286.376 0.131 20 30 CCEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC#CCO ZINC000786555421 581444382 /nfs/dbraw/zinc/44/43/82/581444382.db2.gz RMELIVSYCXMZDS-UHFFFAOYSA-N 1 2 259.313 0.989 20 30 CCEDLO N#CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000787599920 581473538 /nfs/dbraw/zinc/47/35/38/581473538.db2.gz DZAHRZASVOUFBI-UHFFFAOYSA-N 1 2 257.253 0.303 20 30 CCEDLO C#CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000733648320 581516518 /nfs/dbraw/zinc/51/65/18/581516518.db2.gz NXWYQOIESKRNPB-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](OC)c2ccc(O)cc2)CC1 ZINC000765983003 581544406 /nfs/dbraw/zinc/54/44/06/581544406.db2.gz OTNBALWSXBNJMS-HNNXBMFYSA-N 1 2 288.347 0.857 20 30 CCEDLO N#Cc1ccc(OCC(=O)OCC[NH+]2CCOCC2)cc1 ZINC000766037599 581547503 /nfs/dbraw/zinc/54/75/03/581547503.db2.gz UYZBRWJCROGYAK-UHFFFAOYSA-N 1 2 290.319 0.812 20 30 CCEDLO N#CC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000766240272 581558299 /nfs/dbraw/zinc/55/82/99/581558299.db2.gz ZTBCNPUTHSXWRP-CQSZACIVSA-N 1 2 277.368 0.859 20 30 CCEDLO O=c1cn[nH]c(=S)n1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000766482572 581568669 /nfs/dbraw/zinc/56/86/69/581568669.db2.gz OWNKTTJACLCSNX-UHFFFAOYSA-N 1 2 298.331 0.995 20 30 CCEDLO CCN(CC)C(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506212 581569252 /nfs/dbraw/zinc/56/92/52/581569252.db2.gz KTFRYWNRJPDQSD-AWEZNQCLSA-N 1 2 288.351 0.543 20 30 CCEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCC#N)[C@H]2C1 ZINC000755052151 581623398 /nfs/dbraw/zinc/62/33/98/581623398.db2.gz AOKVEEHRXCKZQQ-AGIUHOORSA-N 1 2 281.356 0.285 20 30 CCEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCC#N)[C@H]2C1 ZINC000755052151 581623400 /nfs/dbraw/zinc/62/34/00/581623400.db2.gz AOKVEEHRXCKZQQ-AGIUHOORSA-N 1 2 281.356 0.285 20 30 CCEDLO C=C(C)CNC(=S)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000729942507 581624737 /nfs/dbraw/zinc/62/47/37/581624737.db2.gz HIIWRXROTPTKCW-UHFFFAOYSA-N 1 2 293.440 0.988 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000729978846 581626924 /nfs/dbraw/zinc/62/69/24/581626924.db2.gz QTHQUSSJABHJLW-GFCCVEGCSA-N 1 2 283.291 0.632 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000755213445 581631510 /nfs/dbraw/zinc/63/15/10/581631510.db2.gz VLLKQEZXWKGDIN-UHFFFAOYSA-N 1 2 284.323 0.134 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(CC#N)CC2)C1(F)F ZINC000787771964 581641896 /nfs/dbraw/zinc/64/18/96/581641896.db2.gz ADEVMJBBOFSJMU-ZJUUUORDSA-N 1 2 273.283 0.182 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000757852839 581712231 /nfs/dbraw/zinc/71/22/31/581712231.db2.gz RJTFAKKOFYTGAJ-UHFFFAOYSA-N 1 2 263.366 0.620 20 30 CCEDLO COCC[NH+](CCOC)Cn1cccc(C#N)c1=O ZINC000758183849 581725180 /nfs/dbraw/zinc/72/51/80/581725180.db2.gz ASGQKQXFWMETGW-UHFFFAOYSA-N 1 2 265.313 0.272 20 30 CCEDLO C#CCCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000758768231 581768308 /nfs/dbraw/zinc/76/83/08/581768308.db2.gz TZPROBMWJPFGHT-CYBMUJFWSA-N 1 2 266.389 0.335 20 30 CCEDLO C#CCCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000758768231 581768310 /nfs/dbraw/zinc/76/83/10/581768310.db2.gz TZPROBMWJPFGHT-CYBMUJFWSA-N 1 2 266.389 0.335 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000771144783 581793408 /nfs/dbraw/zinc/79/34/08/581793408.db2.gz IBJYUPJTYYLNGK-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO C=CC[N@@H+](CCCC(=O)NC(N)=O)CC(=O)OCC ZINC000744200209 581835221 /nfs/dbraw/zinc/83/52/21/581835221.db2.gz GDATXUQQKJYDSW-UHFFFAOYSA-N 1 2 271.317 0.013 20 30 CCEDLO C=CC[N@H+](CCCC(=O)NC(N)=O)CC(=O)OCC ZINC000744200209 581835225 /nfs/dbraw/zinc/83/52/25/581835225.db2.gz GDATXUQQKJYDSW-UHFFFAOYSA-N 1 2 271.317 0.013 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCCc2nc(CC)no2)CC1 ZINC000744419059 581842216 /nfs/dbraw/zinc/84/22/16/581842216.db2.gz KAMWESZXLDBKME-UHFFFAOYSA-N 1 2 290.367 0.732 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000760709967 581870676 /nfs/dbraw/zinc/87/06/76/581870676.db2.gz CJGPVAQUXRVCCW-ZDUSSCGKSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000760709967 581870678 /nfs/dbraw/zinc/87/06/78/581870678.db2.gz CJGPVAQUXRVCCW-ZDUSSCGKSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000760709967 581870680 /nfs/dbraw/zinc/87/06/80/581870680.db2.gz CJGPVAQUXRVCCW-ZDUSSCGKSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000760709967 581870682 /nfs/dbraw/zinc/87/06/82/581870682.db2.gz CJGPVAQUXRVCCW-ZDUSSCGKSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2coc(OCC)n2)CC1 ZINC000772668863 581882731 /nfs/dbraw/zinc/88/27/31/581882731.db2.gz WHKCXSQZIUPSQM-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000745794367 581885561 /nfs/dbraw/zinc/88/55/61/581885561.db2.gz ZBKPKBGQQGYZKF-CQSZACIVSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794367 581885565 /nfs/dbraw/zinc/88/55/65/581885565.db2.gz ZBKPKBGQQGYZKF-CQSZACIVSA-N 1 2 277.368 0.375 20 30 CCEDLO CCn1cc[nH+]c1CN=Nc1ccccc1S(N)(=O)=O ZINC000773124397 581909479 /nfs/dbraw/zinc/90/94/79/581909479.db2.gz FIUOAIPZPVKUIJ-UHFFFAOYSA-N 1 2 293.352 0.996 20 30 CCEDLO NC(=[NH+]OCC1(CO)COC1)c1ccc(Cl)cc1 ZINC000761847686 581922342 /nfs/dbraw/zinc/92/23/42/581922342.db2.gz BKDLDULZCVIXCZ-UHFFFAOYSA-N 1 2 270.716 0.986 20 30 CCEDLO C#C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773367051 581923959 /nfs/dbraw/zinc/92/39/59/581923959.db2.gz RQKZGAYSACFZHU-RYUDHWBXSA-N 1 2 262.313 0.363 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1csc(N(C)C)n1 ZINC000746866576 581925723 /nfs/dbraw/zinc/92/57/23/581925723.db2.gz DABCMEONXXGCPF-LBPRGKRZSA-N 1 2 292.408 0.923 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1csc(N(C)C)n1 ZINC000746866576 581925725 /nfs/dbraw/zinc/92/57/25/581925725.db2.gz DABCMEONXXGCPF-LBPRGKRZSA-N 1 2 292.408 0.923 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000773399477 581926765 /nfs/dbraw/zinc/92/67/65/581926765.db2.gz FOIMAHAIJXBRIM-LJQANCHMSA-N 1 2 284.425 0.703 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000747494097 581943121 /nfs/dbraw/zinc/94/31/21/581943121.db2.gz FOBFFYMDKPRFBV-UHFFFAOYSA-N 1 2 273.402 0.894 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000747494097 581943124 /nfs/dbraw/zinc/94/31/24/581943124.db2.gz FOBFFYMDKPRFBV-UHFFFAOYSA-N 1 2 273.402 0.894 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000747828566 581954320 /nfs/dbraw/zinc/95/43/20/581954320.db2.gz UVWPKRBJKIZOOL-UHFFFAOYSA-N 1 2 265.700 0.936 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000747829450 581954484 /nfs/dbraw/zinc/95/44/84/581954484.db2.gz SDXNJYXYGAIOFK-UHFFFAOYSA-N 1 2 291.307 0.300 20 30 CCEDLO N#Cc1ccc(O)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000748411527 581974184 /nfs/dbraw/zinc/97/41/84/581974184.db2.gz QXWPBWBYMAUNBQ-UHFFFAOYSA-N 1 2 275.308 0.925 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763694820 582008818 /nfs/dbraw/zinc/00/88/18/582008818.db2.gz FNMDAQKGAJVKTJ-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763694820 582008821 /nfs/dbraw/zinc/00/88/21/582008821.db2.gz FNMDAQKGAJVKTJ-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C=CCn1nnn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000749968163 582028529 /nfs/dbraw/zinc/02/85/29/582028529.db2.gz VMGZAEYDGLYYGY-JTQLQIEISA-N 1 2 269.374 0.921 20 30 CCEDLO C=CCn1nnn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000749968163 582028530 /nfs/dbraw/zinc/02/85/30/582028530.db2.gz VMGZAEYDGLYYGY-JTQLQIEISA-N 1 2 269.374 0.921 20 30 CCEDLO C#C[C@H]([NH2+]Cc1csc(CC(=O)NC)n1)[C@H]1CCCO1 ZINC000775786671 582038134 /nfs/dbraw/zinc/03/81/34/582038134.db2.gz ZPZGYVUNKCJWGQ-NWDGAFQWSA-N 1 2 293.392 0.702 20 30 CCEDLO C#C[C@H]([NH2+]Cc1csc(CC(=O)NC)n1)[C@@H]1CCCO1 ZINC000775786672 582038142 /nfs/dbraw/zinc/03/81/42/582038142.db2.gz ZPZGYVUNKCJWGQ-RYUDHWBXSA-N 1 2 293.392 0.702 20 30 CCEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000750836901 582061219 /nfs/dbraw/zinc/06/12/19/582061219.db2.gz HARZIGCSLUBCPW-TXEJJXNPSA-N 1 2 282.727 0.780 20 30 CCEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000750836901 582061221 /nfs/dbraw/zinc/06/12/21/582061221.db2.gz HARZIGCSLUBCPW-TXEJJXNPSA-N 1 2 282.727 0.780 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751443554 582080706 /nfs/dbraw/zinc/08/07/06/582080706.db2.gz WNSHFVRVFLDRGD-JTQLQIEISA-N 1 2 275.308 0.278 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)CCc2ccccc2)CC1 ZINC000765042766 582084765 /nfs/dbraw/zinc/08/47/65/582084765.db2.gz KYUMLZAJPHEWME-INIZCTEOSA-N 1 2 286.375 0.758 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1 ZINC000765042767 582085024 /nfs/dbraw/zinc/08/50/24/582085024.db2.gz KYUMLZAJPHEWME-MRXNPFEDSA-N 1 2 286.375 0.758 20 30 CCEDLO C#CCOCC[N@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000879027876 612982694 /nfs/dbraw/zinc/98/26/94/612982694.db2.gz GNKBSLYRQKTHLO-AWEZNQCLSA-N 1 2 269.341 0.680 20 30 CCEDLO C#CCOCC[N@@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000879027876 612982695 /nfs/dbraw/zinc/98/26/95/612982695.db2.gz GNKBSLYRQKTHLO-AWEZNQCLSA-N 1 2 269.341 0.680 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000886468810 612983622 /nfs/dbraw/zinc/98/36/22/612983622.db2.gz RCFCJXAVLAPKEL-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000886468810 612983625 /nfs/dbraw/zinc/98/36/25/612983625.db2.gz RCFCJXAVLAPKEL-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853983607 612987104 /nfs/dbraw/zinc/98/71/04/612987104.db2.gz HSEUGYKVTHZRHT-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853983607 612987105 /nfs/dbraw/zinc/98/71/05/612987105.db2.gz HSEUGYKVTHZRHT-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000823128561 613002957 /nfs/dbraw/zinc/00/29/57/613002957.db2.gz DMSQRJCOHLTNRK-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nccnc2C)CC1 ZINC000825078023 613011285 /nfs/dbraw/zinc/01/12/85/613011285.db2.gz QHIQAMYREHFDRU-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C#CCSCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852136614 613016184 /nfs/dbraw/zinc/01/61/84/613016184.db2.gz AQPDBLIBGFAAEG-ZDUSSCGKSA-N 1 2 297.424 0.469 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300895 612950112 /nfs/dbraw/zinc/95/01/12/612950112.db2.gz JFTYWPSOTBGUPZ-ONGXEEELSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300895 612950113 /nfs/dbraw/zinc/95/01/13/612950113.db2.gz JFTYWPSOTBGUPZ-ONGXEEELSA-N 1 2 278.274 0.778 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000837397841 617179953 /nfs/dbraw/zinc/17/99/53/617179953.db2.gz BUKDNRVTWZDBQL-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000798402867 613061138 /nfs/dbraw/zinc/06/11/38/613061138.db2.gz ANEOKVNPMSULEI-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000798402867 613061139 /nfs/dbraw/zinc/06/11/39/613061139.db2.gz ANEOKVNPMSULEI-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000881464009 612967043 /nfs/dbraw/zinc/96/70/43/612967043.db2.gz GVMNDYOUSDOIMA-OAHLLOKOSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000881464009 612967044 /nfs/dbraw/zinc/96/70/44/612967044.db2.gz GVMNDYOUSDOIMA-OAHLLOKOSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000807685941 612967728 /nfs/dbraw/zinc/96/77/28/612967728.db2.gz UUAZXDFLZPWWPA-CYBMUJFWSA-N 1 2 255.321 0.977 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000880478547 612973340 /nfs/dbraw/zinc/97/33/40/612973340.db2.gz HBWIKNBWAHMUDA-UHFFFAOYSA-N 1 2 278.274 0.515 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2cnn(C)n2)cc1 ZINC000809994472 617237083 /nfs/dbraw/zinc/23/70/83/617237083.db2.gz ZAHIPOGONJWBOS-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO C#CC1CC[NH+]([C@@H](CCC(=O)OC)C(=O)OC)CC1 ZINC000852206101 612964973 /nfs/dbraw/zinc/96/49/73/612964973.db2.gz YITVCVJOUCYNON-LBPRGKRZSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000839781903 612967250 /nfs/dbraw/zinc/96/72/50/612967250.db2.gz CDBCCJVYYKUXOJ-GASCZTMLSA-N 1 2 274.364 0.629 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000839781903 612967252 /nfs/dbraw/zinc/96/72/52/612967252.db2.gz CDBCCJVYYKUXOJ-GASCZTMLSA-N 1 2 274.364 0.629 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853607802 612987413 /nfs/dbraw/zinc/98/74/13/612987413.db2.gz WCOTYAICWKMTBE-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853607802 612987414 /nfs/dbraw/zinc/98/74/14/612987414.db2.gz WCOTYAICWKMTBE-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCc1c[nH+]cn1C ZINC000854067244 612987609 /nfs/dbraw/zinc/98/76/09/612987609.db2.gz VNEFWROWYGXYMX-UHFFFAOYSA-N 1 2 264.329 0.601 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)no2)C1 ZINC000949930987 612991779 /nfs/dbraw/zinc/99/17/79/612991779.db2.gz LLJWHJSFDULNPI-UHFFFAOYSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)onc2CO)CC1 ZINC000847417134 613010395 /nfs/dbraw/zinc/01/03/95/613010395.db2.gz WRKNJOLHPFTVIO-UHFFFAOYSA-N 1 2 277.324 0.256 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(COC)n2)CC1 ZINC000825077596 613010943 /nfs/dbraw/zinc/01/09/43/613010943.db2.gz BQVCBWFHYTXVMS-UHFFFAOYSA-N 1 2 276.340 0.268 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC000822934781 613011275 /nfs/dbraw/zinc/01/12/75/613011275.db2.gz ILRMYJBDGXCEBV-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000816674809 613028318 /nfs/dbraw/zinc/02/83/18/613028318.db2.gz LBZWXDQCGHBXBE-GXTWGEPZSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000816674809 613028319 /nfs/dbraw/zinc/02/83/19/613028319.db2.gz LBZWXDQCGHBXBE-GXTWGEPZSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859599446 613031081 /nfs/dbraw/zinc/03/10/81/613031081.db2.gz KSRSZXHYHPHBNO-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859599446 613031083 /nfs/dbraw/zinc/03/10/83/613031083.db2.gz KSRSZXHYHPHBNO-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875927987 613036331 /nfs/dbraw/zinc/03/63/31/613036331.db2.gz NYNVOJGCUYIFFT-QWRGUYRKSA-N 1 2 262.313 0.145 20 30 CCEDLO C#CCCOC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000859156012 613049736 /nfs/dbraw/zinc/04/97/36/613049736.db2.gz PLXRMNZSNGNZIA-OLZOCXBDSA-N 1 2 266.341 0.941 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342012 613055330 /nfs/dbraw/zinc/05/53/30/613055330.db2.gz PCLLWLJNFYJLBL-LLVKDONJSA-N 1 2 276.340 0.403 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844139757 613063096 /nfs/dbraw/zinc/06/30/96/613063096.db2.gz DEWRRVWVAWZOFX-AAEUAGOBSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCc2cn[nH]n2)n1 ZINC000851996159 613078896 /nfs/dbraw/zinc/07/88/96/613078896.db2.gz JFRMTNGZXMDYRK-UHFFFAOYSA-N 1 2 288.355 0.326 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCc2cn[nH]n2)n1 ZINC000851996159 613078897 /nfs/dbraw/zinc/07/88/97/613078897.db2.gz JFRMTNGZXMDYRK-UHFFFAOYSA-N 1 2 288.355 0.326 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000879002635 613087415 /nfs/dbraw/zinc/08/74/15/613087415.db2.gz YAMIXMADLRFDSW-JTQLQIEISA-N 1 2 262.313 0.572 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000972719596 613091795 /nfs/dbraw/zinc/09/17/95/613091795.db2.gz XEDCYNPPCWFXOT-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000972719596 613091796 /nfs/dbraw/zinc/09/17/96/613091796.db2.gz XEDCYNPPCWFXOT-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000972719596 613091797 /nfs/dbraw/zinc/09/17/97/613091797.db2.gz XEDCYNPPCWFXOT-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000972719596 613091798 /nfs/dbraw/zinc/09/17/98/613091798.db2.gz XEDCYNPPCWFXOT-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCOCC1 ZINC000856102231 613092907 /nfs/dbraw/zinc/09/29/07/613092907.db2.gz ABJMKCYCNPFKEI-CYBMUJFWSA-N 1 2 261.325 0.507 20 30 CCEDLO C#C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1CCOCC1 ZINC000852181161 613095869 /nfs/dbraw/zinc/09/58/69/613095869.db2.gz CTXSIMZGAKXDQO-CYBMUJFWSA-N 1 2 276.340 0.611 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869247303 613104351 /nfs/dbraw/zinc/10/43/51/613104351.db2.gz GVCKTTZNDNBXHN-LBPRGKRZSA-N 1 2 293.323 0.247 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846254556 613109521 /nfs/dbraw/zinc/10/95/21/613109521.db2.gz LQEUOOOLDPWQQP-CYBMUJFWSA-N 1 2 273.336 0.623 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C(C)C)CC3)CC2)C1 ZINC000941559229 613114475 /nfs/dbraw/zinc/11/44/75/613114475.db2.gz RFHMTUUWNRTANW-UHFFFAOYSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc[nH]3)CC2)C1 ZINC000941671571 613115289 /nfs/dbraw/zinc/11/52/89/613115289.db2.gz JWICJVRDRFRCJN-UHFFFAOYSA-N 1 2 286.379 0.019 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000941292686 613115729 /nfs/dbraw/zinc/11/57/29/613115729.db2.gz LRVDMFPRJGMXAR-UHFFFAOYSA-N 1 2 289.404 0.823 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854079041 613121145 /nfs/dbraw/zinc/12/11/45/613121145.db2.gz ULPJXFKBGRXQJT-UPJWGTAASA-N 1 2 265.357 0.561 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000854079041 613121147 /nfs/dbraw/zinc/12/11/47/613121147.db2.gz ULPJXFKBGRXQJT-UPJWGTAASA-N 1 2 265.357 0.561 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875594341 613121195 /nfs/dbraw/zinc/12/11/95/613121195.db2.gz OSKVTBBODVYULH-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875594341 613121197 /nfs/dbraw/zinc/12/11/97/613121197.db2.gz OSKVTBBODVYULH-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823313540 613125589 /nfs/dbraw/zinc/12/55/89/613125589.db2.gz ACEUUAAKXTXVBI-BDAKNGLRSA-N 1 2 275.230 0.487 20 30 CCEDLO C#C[C@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000854770083 613129940 /nfs/dbraw/zinc/12/99/40/613129940.db2.gz ACCGJGWUYGMDPC-CQSZACIVSA-N 1 2 288.347 0.243 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC000928660333 613136740 /nfs/dbraw/zinc/13/67/40/613136740.db2.gz AGJHKOUTSIMDOY-AWEZNQCLSA-N 1 2 298.408 0.168 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC000913447608 613170574 /nfs/dbraw/zinc/17/05/74/613170574.db2.gz MSXZUEUSASJAJL-AWEZNQCLSA-N 1 2 281.319 0.573 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)no2)C1 ZINC000923564432 613173627 /nfs/dbraw/zinc/17/36/27/613173627.db2.gz YDAFTQSIVXXVMH-SNVBAGLBSA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)no2)C1 ZINC000923564432 613173629 /nfs/dbraw/zinc/17/36/29/613173629.db2.gz YDAFTQSIVXXVMH-SNVBAGLBSA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCOC)C1 ZINC000885511621 613193136 /nfs/dbraw/zinc/19/31/36/613193136.db2.gz LERKVQGBQMNQNF-LBPRGKRZSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCOC)C1 ZINC000885511621 613193139 /nfs/dbraw/zinc/19/31/39/613193139.db2.gz LERKVQGBQMNQNF-LBPRGKRZSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000885514229 613193143 /nfs/dbraw/zinc/19/31/43/613193143.db2.gz UJNZPPSWCXJWNO-KBPBESRZSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000885514229 613193145 /nfs/dbraw/zinc/19/31/45/613193145.db2.gz UJNZPPSWCXJWNO-KBPBESRZSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)c1cnn(C)c1 ZINC000848342973 613194234 /nfs/dbraw/zinc/19/42/34/613194234.db2.gz WSMYQMAZFMZQHY-ZDUSSCGKSA-N 1 2 260.341 0.871 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)c1cnn(C)c1 ZINC000848342973 613194235 /nfs/dbraw/zinc/19/42/35/613194235.db2.gz WSMYQMAZFMZQHY-ZDUSSCGKSA-N 1 2 260.341 0.871 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000855326719 613202504 /nfs/dbraw/zinc/20/25/04/613202504.db2.gz RCIUQGOZNJKXJE-WOPDTQHZSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000855326719 613202507 /nfs/dbraw/zinc/20/25/07/613202507.db2.gz RCIUQGOZNJKXJE-WOPDTQHZSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)OC[C@@H]2C)CC1 ZINC000844389458 613205355 /nfs/dbraw/zinc/20/53/55/613205355.db2.gz JKQVGJIVDWZIOV-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)OC[C@@H]2C)CC1 ZINC000844389458 613205357 /nfs/dbraw/zinc/20/53/57/613205357.db2.gz JKQVGJIVDWZIOV-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000823851112 613209770 /nfs/dbraw/zinc/20/97/70/613209770.db2.gz ZUBFRGYTGBPYFD-UHFFFAOYSA-N 1 2 269.312 0.017 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC)n2CC2CC2)CC1 ZINC000830915534 613209924 /nfs/dbraw/zinc/20/99/24/613209924.db2.gz NBYNBYPAHBILKI-UHFFFAOYSA-N 1 2 289.383 0.590 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243470 613210968 /nfs/dbraw/zinc/21/09/68/613210968.db2.gz QSJZLYNHTYNTHH-ZDUSSCGKSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000972243470 613210969 /nfs/dbraw/zinc/21/09/69/613210969.db2.gz QSJZLYNHTYNTHH-ZDUSSCGKSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972531543 613211411 /nfs/dbraw/zinc/21/14/11/613211411.db2.gz LIEAPWZRQNLHJF-HOCLYGCPSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972531543 613211412 /nfs/dbraw/zinc/21/14/12/613211412.db2.gz LIEAPWZRQNLHJF-HOCLYGCPSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972564837 613211465 /nfs/dbraw/zinc/21/14/65/613211465.db2.gz MREYFUZIAFMADD-FMKPAKJESA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972564837 613211467 /nfs/dbraw/zinc/21/14/67/613211467.db2.gz MREYFUZIAFMADD-FMKPAKJESA-N 1 2 276.380 0.969 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC000913460293 613213624 /nfs/dbraw/zinc/21/36/24/613213624.db2.gz GXSZPADASDBNDH-HNNXBMFYSA-N 1 2 295.346 0.583 20 30 CCEDLO C/C(=C/C(=O)N1CC[C@](O)(CC#N)C1)C[NH+]1CCOCC1 ZINC000911526538 613234066 /nfs/dbraw/zinc/23/40/66/613234066.db2.gz JRCLXLGATVRSCX-VSKPTYQZSA-N 1 2 293.367 0.142 20 30 CCEDLO C/C(=C/C(=O)N[C@]1(C#N)CCSC1)C[NH+]1CCOCC1 ZINC000900464538 613240198 /nfs/dbraw/zinc/24/01/98/613240198.db2.gz OVHLRGYLSCIKSO-UNJUUPHPSA-N 1 2 295.408 0.780 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504084 613248179 /nfs/dbraw/zinc/24/81/79/613248179.db2.gz DDRHCKQIUNWNFG-FZMZJTMJSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504084 613248182 /nfs/dbraw/zinc/24/81/82/613248182.db2.gz DDRHCKQIUNWNFG-FZMZJTMJSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940186 613250750 /nfs/dbraw/zinc/25/07/50/613250750.db2.gz CRQRNSYJXKVTNN-RYUDHWBXSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940186 613250753 /nfs/dbraw/zinc/25/07/53/613250753.db2.gz CRQRNSYJXKVTNN-RYUDHWBXSA-N 1 2 273.336 0.861 20 30 CCEDLO C/C(=C\C(=O)N1CCOC[C@H]1C#N)C[NH+]1CCOCC1 ZINC000900848486 613251058 /nfs/dbraw/zinc/25/10/58/613251058.db2.gz UDDIOCXRUMLFTE-YQCJOKCJSA-N 1 2 279.340 0.016 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838112947 613282034 /nfs/dbraw/zinc/28/20/34/613282034.db2.gz CRBJXZPEVHZZSQ-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838112947 613282035 /nfs/dbraw/zinc/28/20/35/613282035.db2.gz CRBJXZPEVHZZSQ-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000951760329 613296622 /nfs/dbraw/zinc/29/66/22/613296622.db2.gz DOJMRMKBYUGXKV-UHFFFAOYSA-N 1 2 290.367 0.836 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000951746465 613315428 /nfs/dbraw/zinc/31/54/28/613315428.db2.gz NHWHEELBBZRXAV-UHFFFAOYSA-N 1 2 295.427 0.818 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000917138056 613329324 /nfs/dbraw/zinc/32/93/24/613329324.db2.gz SASNMOLIAIAOJI-JTQLQIEISA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000917138056 613329326 /nfs/dbraw/zinc/32/93/26/613329326.db2.gz SASNMOLIAIAOJI-JTQLQIEISA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689509 613330761 /nfs/dbraw/zinc/33/07/61/613330761.db2.gz QSOJJJMWFQXORF-AWEZNQCLSA-N 1 2 284.363 0.615 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689509 613330762 /nfs/dbraw/zinc/33/07/62/613330762.db2.gz QSOJJJMWFQXORF-AWEZNQCLSA-N 1 2 284.363 0.615 20 30 CCEDLO C=C(C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935480609 613346589 /nfs/dbraw/zinc/34/65/89/613346589.db2.gz RESNKCWRPWSZNA-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)CONC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000845594031 613353599 /nfs/dbraw/zinc/35/35/99/613353599.db2.gz AOYDIJZUPJEQGT-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056782 613354667 /nfs/dbraw/zinc/35/46/67/613354667.db2.gz VZNHFIMNNCIBQK-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000882899574 613357243 /nfs/dbraw/zinc/35/72/43/613357243.db2.gz QOCMNFMAOMCBLV-LLVKDONJSA-N 1 2 251.330 0.796 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000970430756 613371578 /nfs/dbraw/zinc/37/15/78/613371578.db2.gz GLMMMIRIRHZXRR-IEBDPFPHSA-N 1 2 285.775 0.297 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970290236 613371915 /nfs/dbraw/zinc/37/19/15/613371915.db2.gz WLPBGOUNAOVCFW-MRVPVSSYSA-N 1 2 284.751 0.013 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000964964739 613375423 /nfs/dbraw/zinc/37/54/23/613375423.db2.gz NNSVNFQVANSWCC-KOLCDFICSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000964964739 613375424 /nfs/dbraw/zinc/37/54/24/613375424.db2.gz NNSVNFQVANSWCC-KOLCDFICSA-N 1 2 298.778 0.252 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ccc(C)nc2C#N)CC1 ZINC000881807479 613415914 /nfs/dbraw/zinc/41/59/14/613415914.db2.gz UOAJIIWYUHPHRB-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO C=C1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000898704268 613416279 /nfs/dbraw/zinc/41/62/79/613416279.db2.gz RVLACKFYDOHBNM-CYBMUJFWSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000898704268 613416280 /nfs/dbraw/zinc/41/62/80/613416280.db2.gz RVLACKFYDOHBNM-CYBMUJFWSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)C(=O)OC ZINC000905781340 613419238 /nfs/dbraw/zinc/41/92/38/613419238.db2.gz VWYBMFJWTKSHRM-WCQYABFASA-N 1 2 257.330 0.625 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000845634982 613446460 /nfs/dbraw/zinc/44/64/60/613446460.db2.gz CZHWMJRZKFQICU-NWDGAFQWSA-N 1 2 270.377 0.428 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935015390 613448399 /nfs/dbraw/zinc/44/83/99/613448399.db2.gz JASICBZUDPBSQF-STQMWFEESA-N 1 2 251.374 0.705 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000845636289 613487432 /nfs/dbraw/zinc/48/74/32/613487432.db2.gz NEGADJUYXLUQCC-SRVKXCTJSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000850709112 613490595 /nfs/dbraw/zinc/49/05/95/613490595.db2.gz GTAFIAZDNLOAMN-SNVBAGLBSA-N 1 2 292.339 0.058 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894625397 613493017 /nfs/dbraw/zinc/49/30/17/613493017.db2.gz UWLFSCURSBOHTG-NXEZZACHSA-N 1 2 252.318 0.618 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894625397 613493021 /nfs/dbraw/zinc/49/30/21/613493021.db2.gz UWLFSCURSBOHTG-NXEZZACHSA-N 1 2 252.318 0.618 20 30 CCEDLO CC#CC[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000897169359 613524191 /nfs/dbraw/zinc/52/41/91/613524191.db2.gz OCDQVQHACDCWIX-UHFFFAOYSA-N 1 2 270.329 0.928 20 30 CCEDLO CC#CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000897169359 613524194 /nfs/dbraw/zinc/52/41/94/613524194.db2.gz OCDQVQHACDCWIX-UHFFFAOYSA-N 1 2 270.329 0.928 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000941279028 613529071 /nfs/dbraw/zinc/52/90/71/613529071.db2.gz FKGMWQDRTBLSNG-UHFFFAOYSA-N 1 2 281.375 0.586 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000941413828 613529291 /nfs/dbraw/zinc/52/92/91/613529291.db2.gz FZOUTVQAUZNMRN-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 ZINC000949613335 613563229 /nfs/dbraw/zinc/56/32/29/613563229.db2.gz CTYFOVHHVKNXCN-CYBMUJFWSA-N 1 2 277.368 0.165 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925294588 613587603 /nfs/dbraw/zinc/58/76/03/613587603.db2.gz KWWILJLXHAOULR-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925294588 613587607 /nfs/dbraw/zinc/58/76/07/613587607.db2.gz KWWILJLXHAOULR-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCn1cc(C(=O)OCCn2cc[nH+]c2)nn1 ZINC000820857778 613596677 /nfs/dbraw/zinc/59/66/77/613596677.db2.gz AWHOBEGEUXOWIG-UHFFFAOYSA-N 1 2 261.285 0.908 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000809460457 613604011 /nfs/dbraw/zinc/60/40/11/613604011.db2.gz GRZNRJSALMURJT-GFCCVEGCSA-N 1 2 290.367 0.737 20 30 CCEDLO C=CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935479816 613609742 /nfs/dbraw/zinc/60/97/42/613609742.db2.gz BNCYEJCMPIKVAY-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)Cc1c[nH+]c[nH]1 ZINC000901214369 613644129 /nfs/dbraw/zinc/64/41/29/613644129.db2.gz XXYVEHQOHSHWBG-UHFFFAOYSA-N 1 2 251.286 0.530 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CN(C3CC3)C(=O)O2)nn1 ZINC000881358432 613645132 /nfs/dbraw/zinc/64/51/32/613645132.db2.gz LZEZVZFGKHQWGJ-ZDUSSCGKSA-N 1 2 289.339 0.374 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846978394 613648094 /nfs/dbraw/zinc/64/80/94/613648094.db2.gz SKWOUMRZDBZJEK-CYBMUJFWSA-N 1 2 267.373 0.755 20 30 CCEDLO CC(=NNCCC[NH+]1CCOCC1)c1csc(N)n1 ZINC000799492579 613654893 /nfs/dbraw/zinc/65/48/93/613654893.db2.gz UWLMDEBSAYOZFS-UHFFFAOYSA-N 1 2 283.401 0.761 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cn[nH]c(=O)c2)C1 ZINC000950569180 613659367 /nfs/dbraw/zinc/65/93/67/613659367.db2.gz WOHIJAFIKWRGHV-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC000949904113 613711077 /nfs/dbraw/zinc/71/10/77/613711077.db2.gz FWNKYOATNDKLEC-LLVKDONJSA-N 1 2 275.356 0.555 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1 ZINC000949357448 613711644 /nfs/dbraw/zinc/71/16/44/613711644.db2.gz CFNRBOMXQQJJGZ-CYBMUJFWSA-N 1 2 289.383 0.561 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000957106832 613711731 /nfs/dbraw/zinc/71/17/31/613711731.db2.gz DGJRLZFWPUAXBP-GXTWGEPZSA-N 1 2 250.342 0.743 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)c3ccccc32)CC1 ZINC000948800922 613711972 /nfs/dbraw/zinc/71/19/72/613711972.db2.gz BRZQQXPNXNYGPT-OAHLLOKOSA-N 1 2 299.374 0.844 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COCCN2CCCC)CC1 ZINC000949464969 613713276 /nfs/dbraw/zinc/71/32/76/613713276.db2.gz OVXRMPVVNVSTRG-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CCN1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000949464969 613713277 /nfs/dbraw/zinc/71/32/77/613713277.db2.gz OVXRMPVVNVSTRG-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CCN1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000949464969 613713278 /nfs/dbraw/zinc/71/32/78/613713278.db2.gz OVXRMPVVNVSTRG-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC000952389740 613715046 /nfs/dbraw/zinc/71/50/46/613715046.db2.gz KVJYLEQRPNHMAC-UHFFFAOYSA-N 1 2 262.357 0.926 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC000949647637 613718307 /nfs/dbraw/zinc/71/83/07/613718307.db2.gz FANVYDCOSKUQQJ-UHFFFAOYSA-N 1 2 250.302 0.070 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC000949022732 613718729 /nfs/dbraw/zinc/71/87/29/613718729.db2.gz LPBZFIIIZXASLU-UHFFFAOYSA-N 1 2 266.320 0.796 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)CCn2cccn2)C1=O ZINC000839994914 613719400 /nfs/dbraw/zinc/71/94/00/613719400.db2.gz GVNVIGMQEXYCKA-UHFFFAOYSA-N 1 2 263.345 0.696 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)CCn2cccn2)C1=O ZINC000839994914 613719401 /nfs/dbraw/zinc/71/94/01/613719401.db2.gz GVNVIGMQEXYCKA-UHFFFAOYSA-N 1 2 263.345 0.696 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972517133 613724184 /nfs/dbraw/zinc/72/41/84/613724184.db2.gz BJBLYIXHOXIOPY-GJZGRUSLSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972517133 613724185 /nfs/dbraw/zinc/72/41/85/613724185.db2.gz BJBLYIXHOXIOPY-GJZGRUSLSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972558221 613726061 /nfs/dbraw/zinc/72/60/61/613726061.db2.gz YVNDHXIKKMDQFY-IJEWVQPXSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000972558221 613726062 /nfs/dbraw/zinc/72/60/62/613726062.db2.gz YVNDHXIKKMDQFY-IJEWVQPXSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230557 613770273 /nfs/dbraw/zinc/77/02/73/613770273.db2.gz FTRFZWBFUCJQER-QWRGUYRKSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968230557 613770274 /nfs/dbraw/zinc/77/02/74/613770274.db2.gz FTRFZWBFUCJQER-QWRGUYRKSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481167 613853378 /nfs/dbraw/zinc/85/33/78/613853378.db2.gz VKAJDGGWUIECAD-QMTHXVAHSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481167 613853379 /nfs/dbraw/zinc/85/33/79/613853379.db2.gz VKAJDGGWUIECAD-QMTHXVAHSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1CC1 ZINC000884084928 613877448 /nfs/dbraw/zinc/87/74/48/613877448.db2.gz GKSSMPHVCRXZTD-KOLCDFICSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC(F)(F)C1 ZINC000884383516 613877568 /nfs/dbraw/zinc/87/75/68/613877568.db2.gz MIGDUYMSBPFINB-VIFPVBQESA-N 1 2 276.283 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000884470798 613877805 /nfs/dbraw/zinc/87/78/05/613877805.db2.gz AQJLCCHMSNAFEW-WOPDTQHZSA-N 1 2 298.408 0.645 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000884390718 613877991 /nfs/dbraw/zinc/87/79/91/613877991.db2.gz DZGXOVJSMPXDAJ-AWEZNQCLSA-N 1 2 299.330 0.847 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCOC1 ZINC000884428976 613878253 /nfs/dbraw/zinc/87/82/53/613878253.db2.gz UKOFIRQUHWDJQN-RYUDHWBXSA-N 1 2 284.356 0.366 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)C(C)C ZINC000884165088 613878374 /nfs/dbraw/zinc/87/83/74/613878374.db2.gz YUCFTVUDERRJCW-WDEREUQCSA-N 1 2 272.345 0.220 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000884406909 613878384 /nfs/dbraw/zinc/87/83/84/613878384.db2.gz LHDQEZZEXAEEAP-TUAOUCFPSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000884173715 613878531 /nfs/dbraw/zinc/87/85/31/613878531.db2.gz CJORFZAFLUESFA-YVECIDJPSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000884436274 613878803 /nfs/dbraw/zinc/87/88/03/613878803.db2.gz BDSIEYZRUJMZJK-FBUUZDRASA-N 1 2 284.356 0.361 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000884436275 613878832 /nfs/dbraw/zinc/87/88/32/613878832.db2.gz BDSIEYZRUJMZJK-IIEKFROSSA-N 1 2 284.356 0.361 20 30 CCEDLO CC(C)NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000123662674 613933845 /nfs/dbraw/zinc/93/38/45/613933845.db2.gz VUAKDORRGBXCAS-GHMZBOCLSA-N 1 2 283.397 0.657 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1coc(C#N)c1 ZINC000868874618 614090871 /nfs/dbraw/zinc/09/08/71/614090871.db2.gz BYCVWXHVUDIWQQ-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC(C)CN1C[C@@H]2C[N@H+](C[C@H](O)CC#N)CCN2C1=O ZINC000930264666 614121926 /nfs/dbraw/zinc/12/19/26/614121926.db2.gz WUJKWKZHFZAQOT-QWHCGFSZSA-N 1 2 280.372 0.339 20 30 CCEDLO CC(C)CN1C[C@@H]2C[N@@H+](C[C@H](O)CC#N)CCN2C1=O ZINC000930264666 614121927 /nfs/dbraw/zinc/12/19/27/614121927.db2.gz WUJKWKZHFZAQOT-QWHCGFSZSA-N 1 2 280.372 0.339 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933905976 614180123 /nfs/dbraw/zinc/18/01/23/614180123.db2.gz HQBZGJDOVBVRCW-IUODEOHRSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933905976 614180125 /nfs/dbraw/zinc/18/01/25/614180125.db2.gz HQBZGJDOVBVRCW-IUODEOHRSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000823161653 614210876 /nfs/dbraw/zinc/21/08/76/614210876.db2.gz SPJNPLQXNZACJP-NWDGAFQWSA-N 1 2 294.355 0.967 20 30 CCEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000977385377 614606162 /nfs/dbraw/zinc/60/61/62/614606162.db2.gz CYFAHVJOGXOSJV-JTQLQIEISA-N 1 2 261.329 0.302 20 30 CCEDLO CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)o2)CS1(=O)=O ZINC000895977804 614853855 /nfs/dbraw/zinc/85/38/55/614853855.db2.gz IGHSNGRWJPMFIN-JTQLQIEISA-N 1 2 254.311 0.816 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588260 615021030 /nfs/dbraw/zinc/02/10/30/615021030.db2.gz RWMHVGWEDIYUJJ-LBPRGKRZSA-N 1 2 282.388 0.580 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588260 615021032 /nfs/dbraw/zinc/02/10/32/615021032.db2.gz RWMHVGWEDIYUJJ-LBPRGKRZSA-N 1 2 282.388 0.580 20 30 CCEDLO CCN(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930465829 615023294 /nfs/dbraw/zinc/02/32/94/615023294.db2.gz GAIGPIIOPFCRNP-KGLIPLIRSA-N 1 2 295.383 0.628 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1C ZINC000914289575 615161417 /nfs/dbraw/zinc/16/14/17/615161417.db2.gz RDQIODQFINVYOL-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1C ZINC000914289575 615161418 /nfs/dbraw/zinc/16/14/18/615161418.db2.gz RDQIODQFINVYOL-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCO[C@@H](C)C#N)C1 ZINC000805471896 615172344 /nfs/dbraw/zinc/17/23/44/615172344.db2.gz XAMBEGIPWRGJBH-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCO[C@@H](C)C#N)C1 ZINC000805471896 615172345 /nfs/dbraw/zinc/17/23/45/615172345.db2.gz XAMBEGIPWRGJBH-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(C#N)cs2)C1 ZINC000842082045 615172764 /nfs/dbraw/zinc/17/27/64/615172764.db2.gz ZGIQIXKMPRZSLK-SNVBAGLBSA-N 1 2 281.337 0.779 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(C#N)cs2)C1 ZINC000842082045 615172766 /nfs/dbraw/zinc/17/27/66/615172766.db2.gz ZGIQIXKMPRZSLK-SNVBAGLBSA-N 1 2 281.337 0.779 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804090 615260032 /nfs/dbraw/zinc/26/00/32/615260032.db2.gz JFWGTMYAHYXZKI-ZIAGYGMSSA-N 1 2 272.352 0.768 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905804090 615260033 /nfs/dbraw/zinc/26/00/33/615260033.db2.gz JFWGTMYAHYXZKI-ZIAGYGMSSA-N 1 2 272.352 0.768 20 30 CCEDLO CCN1C[C@@H](C[NH+]2CCC(C#N)(C(=O)OC)CC2)OC1=O ZINC000846954591 615342023 /nfs/dbraw/zinc/34/20/23/615342023.db2.gz BCIDQYWXPZZYDP-LLVKDONJSA-N 1 2 295.339 0.606 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cncc(C#N)n1 ZINC000895800390 615480589 /nfs/dbraw/zinc/48/05/89/615480589.db2.gz BSKKCHWJQYGBRQ-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H](C#N)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923776051 615600067 /nfs/dbraw/zinc/60/00/67/615600067.db2.gz WNTAGIOYZHESCP-UPJWGTAASA-N 1 2 282.340 0.712 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCC#N ZINC000928649578 615715104 /nfs/dbraw/zinc/71/51/04/615715104.db2.gz SEICLOQMRGQHAO-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000902940212 615718884 /nfs/dbraw/zinc/71/88/84/615718884.db2.gz NDOGOVIXXQNXPC-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC[C@@H]1CO)C1(C#N)CCCCC1 ZINC000934030500 615815492 /nfs/dbraw/zinc/81/54/92/615815492.db2.gz ZEWYQAXCTPGDGZ-GFCCVEGCSA-N 1 2 265.357 0.738 20 30 CCEDLO CN(C(=O)C[N@H+]1CC[C@@H]1CO)C1(C#N)CCCCC1 ZINC000934030500 615815493 /nfs/dbraw/zinc/81/54/93/615815493.db2.gz ZEWYQAXCTPGDGZ-GFCCVEGCSA-N 1 2 265.357 0.738 20 30 CCEDLO C[NH+](C)[C@H](C(=O)N1CCN(CC#N)CC1)c1cccnc1 ZINC000957805482 615987877 /nfs/dbraw/zinc/98/78/77/615987877.db2.gz YSNYKEQIRYRMJD-AWEZNQCLSA-N 1 2 287.367 0.352 20 30 CCEDLO CN(C)c1c(C=[NH+]NCC(N)=O)ccc(F)c1F ZINC000863108123 616003869 /nfs/dbraw/zinc/00/38/69/616003869.db2.gz JSKHQCVADSAQPN-UHFFFAOYSA-N 1 2 256.256 0.440 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811009 616040532 /nfs/dbraw/zinc/04/05/32/616040532.db2.gz NPKLUKCUJLTEBL-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308067 616041198 /nfs/dbraw/zinc/04/11/98/616041198.db2.gz PZKKMFGDEYZSJT-NWDGAFQWSA-N 1 2 287.367 0.886 20 30 CCEDLO Cn1cc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)nn1 ZINC000886280941 616090987 /nfs/dbraw/zinc/09/09/87/616090987.db2.gz OLVRODGOSQZGED-LBPRGKRZSA-N 1 2 263.345 0.692 20 30 CCEDLO Cn1cc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)nn1 ZINC000886280941 616090988 /nfs/dbraw/zinc/09/09/88/616090988.db2.gz OLVRODGOSQZGED-LBPRGKRZSA-N 1 2 263.345 0.692 20 30 CCEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NCC#CCO ZINC000923774704 616145687 /nfs/dbraw/zinc/14/56/87/616145687.db2.gz XAUMEOYDNLYPAS-GFCCVEGCSA-N 1 2 276.340 0.083 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](CO)C1 ZINC000912739639 616230022 /nfs/dbraw/zinc/23/00/22/616230022.db2.gz DFDCVXXVHYLVMV-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](CO)C1 ZINC000912739639 616230023 /nfs/dbraw/zinc/23/00/23/616230023.db2.gz DFDCVXXVHYLVMV-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO C[NH+]1CCN(N=C2C(=O)Nc3cc(O)c(Cl)cc32)CC1 ZINC000853256102 616246300 /nfs/dbraw/zinc/24/63/00/616246300.db2.gz MSRBGZYOSBNSTA-UHFFFAOYSA-N 1 2 294.742 0.949 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccccc2C#N)C1 ZINC000866387273 616255722 /nfs/dbraw/zinc/25/57/22/616255722.db2.gz PKYRZUBRKSAOJL-GFCCVEGCSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccccc2C#N)C1 ZINC000866387273 616255723 /nfs/dbraw/zinc/25/57/23/616255723.db2.gz PKYRZUBRKSAOJL-GFCCVEGCSA-N 1 2 296.348 0.597 20 30 CCEDLO COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895157242 616319219 /nfs/dbraw/zinc/31/92/19/616319219.db2.gz NWRLVVVBXMCFIA-NNNHXZLVSA-N 1 2 294.307 0.936 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000871348439 616544587 /nfs/dbraw/zinc/54/45/87/616544587.db2.gz SULZFZSHSGXCNY-LLVKDONJSA-N 1 2 278.312 0.749 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCn1cc[nH+]c1 ZINC000871341458 616544598 /nfs/dbraw/zinc/54/45/98/616544598.db2.gz VYDMEEGQEFXZEQ-UHFFFAOYSA-N 1 2 264.285 0.188 20 30 CCEDLO COC[C@@H](C#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000857065806 616773573 /nfs/dbraw/zinc/77/35/73/616773573.db2.gz AQVOHVXFFHBUJN-LLVKDONJSA-N 1 2 263.297 0.844 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCO[C@H](C)C#N ZINC000933163580 616806612 /nfs/dbraw/zinc/80/66/12/616806612.db2.gz FRTOLNHMKLRKQD-WZRBSPASSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCO[C@H](C)C#N ZINC000933163580 616806616 /nfs/dbraw/zinc/80/66/16/616806616.db2.gz FRTOLNHMKLRKQD-WZRBSPASSA-N 1 2 252.314 0.943 20 30 CCEDLO CON(C)C(=O)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000858319123 617069880 /nfs/dbraw/zinc/06/98/80/617069880.db2.gz AVDCBADFTNEBHP-ZETCQYMHSA-N 1 2 254.315 0.513 20 30 CCEDLO CON1CC[C@H]([NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1=O ZINC000930829080 617099620 /nfs/dbraw/zinc/09/96/20/617099620.db2.gz XNPWLRXBBPOUQU-UTUOFQBUSA-N 1 2 266.345 0.067 20 30 CCEDLO CON=CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889739 617104148 /nfs/dbraw/zinc/10/41/48/617104148.db2.gz MLZBYXNMXNIFKP-GFCCVEGCSA-N 1 2 265.288 0.931 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000912749521 617106448 /nfs/dbraw/zinc/10/64/48/617106448.db2.gz BYZIYYSIOUHARU-CQSZACIVSA-N 1 2 291.351 0.415 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000912749521 617106449 /nfs/dbraw/zinc/10/64/49/617106449.db2.gz BYZIYYSIOUHARU-CQSZACIVSA-N 1 2 291.351 0.415 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001008464012 625464398 /nfs/dbraw/zinc/46/43/98/625464398.db2.gz LPXDGUIOORMRGJ-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001008464012 625464399 /nfs/dbraw/zinc/46/43/99/625464399.db2.gz LPXDGUIOORMRGJ-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001011280087 623072060 /nfs/dbraw/zinc/07/20/60/623072060.db2.gz SKJCGYUALJDUER-NSHDSACASA-N 1 2 289.339 0.173 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001011280087 623072069 /nfs/dbraw/zinc/07/20/69/623072069.db2.gz SKJCGYUALJDUER-NSHDSACASA-N 1 2 289.339 0.173 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024657024 623408962 /nfs/dbraw/zinc/40/89/62/623408962.db2.gz WALBODPZLOIRDS-TUAOUCFPSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024657024 623408968 /nfs/dbraw/zinc/40/89/68/623408968.db2.gz WALBODPZLOIRDS-TUAOUCFPSA-N 1 2 299.802 0.831 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000236132581 623469496 /nfs/dbraw/zinc/46/94/96/623469496.db2.gz DTTAFJKNJNCLDD-LBPRGKRZSA-N 1 2 257.297 0.510 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000969991497 624569995 /nfs/dbraw/zinc/56/99/95/624569995.db2.gz FVGMJWUUZAERER-NWDGAFQWSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@H](C#N)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932473129 624595126 /nfs/dbraw/zinc/59/51/26/624595126.db2.gz UULXMSUUBZKDBD-UPJWGTAASA-N 1 2 281.356 0.142 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288444465 624627606 /nfs/dbraw/zinc/62/76/06/624627606.db2.gz USTRYXYJJHRLOR-NSHDSACASA-N 1 2 267.354 0.942 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C ZINC000971221285 624828597 /nfs/dbraw/zinc/82/85/97/624828597.db2.gz NVEVGELTVHUGHB-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C ZINC000971221285 624828598 /nfs/dbraw/zinc/82/85/98/624828598.db2.gz NVEVGELTVHUGHB-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC000933831370 624945518 /nfs/dbraw/zinc/94/55/18/624945518.db2.gz YNDCQWLBPBEOBQ-MNOVXSKESA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC000933831370 624945523 /nfs/dbraw/zinc/94/55/23/624945523.db2.gz YNDCQWLBPBEOBQ-MNOVXSKESA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC000980847492 631067965 /nfs/dbraw/zinc/06/79/65/631067965.db2.gz CYOPTEJLRHCHOK-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000980847492 631067972 /nfs/dbraw/zinc/06/79/72/631067972.db2.gz CYOPTEJLRHCHOK-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477482 631281379 /nfs/dbraw/zinc/28/13/79/631281379.db2.gz WXKQXMOAJCMTLT-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550624 631288451 /nfs/dbraw/zinc/28/84/51/631288451.db2.gz PVMFNOSRZCDNCR-NEPJUHHUSA-N 1 2 261.329 0.424 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000967941951 650005431 /nfs/dbraw/zinc/00/54/31/650005431.db2.gz BBUFHAJUQKQXLT-WCBMZHEXSA-N 1 2 263.301 0.228 20 30 CCEDLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000234710849 631409615 /nfs/dbraw/zinc/40/96/15/631409615.db2.gz XOOPKSGCBLFEEH-AVGNSLFASA-N 1 2 256.346 0.634 20 30 CCEDLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000234710849 631409622 /nfs/dbraw/zinc/40/96/22/631409622.db2.gz XOOPKSGCBLFEEH-AVGNSLFASA-N 1 2 256.346 0.634 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000967945290 650006055 /nfs/dbraw/zinc/00/60/55/650006055.db2.gz VNOIVMJESWVQFL-WCBMZHEXSA-N 1 2 263.301 0.228 20 30 CCEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247997 632032124 /nfs/dbraw/zinc/03/21/24/632032124.db2.gz XXWFLKZKIBWQBV-YPMHNXCESA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247997 632032129 /nfs/dbraw/zinc/03/21/29/632032129.db2.gz XXWFLKZKIBWQBV-YPMHNXCESA-N 1 2 259.357 0.999 20 30 CCEDLO N#Cc1cnc(N2CC[NH+](Cc3cn[nH]c3)CC2)cn1 ZINC000895960174 632181197 /nfs/dbraw/zinc/18/11/97/632181197.db2.gz OLCHWVFAUYKHCT-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540496 632273508 /nfs/dbraw/zinc/27/35/08/632273508.db2.gz XFOGOQZKUIIRPT-BXUZGUMPSA-N 1 2 289.383 0.559 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896540496 632273512 /nfs/dbraw/zinc/27/35/12/632273512.db2.gz XFOGOQZKUIIRPT-BXUZGUMPSA-N 1 2 289.383 0.559 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986278242 632736103 /nfs/dbraw/zinc/73/61/03/632736103.db2.gz KXJNNKSARSAFNK-ZWNOBZJWSA-N 1 2 288.351 0.870 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)n1 ZINC000986278226 632736168 /nfs/dbraw/zinc/73/61/68/632736168.db2.gz KXJNNKSARSAFNK-GWCFXTLKSA-N 1 2 288.351 0.870 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008402238 650112819 /nfs/dbraw/zinc/11/28/19/650112819.db2.gz ABGSDGLGHDSONC-CYBMUJFWSA-N 1 2 279.384 0.799 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008402238 650112822 /nfs/dbraw/zinc/11/28/22/650112822.db2.gz ABGSDGLGHDSONC-CYBMUJFWSA-N 1 2 279.384 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437298 650114640 /nfs/dbraw/zinc/11/46/40/650114640.db2.gz KZFISKVBEYCZQR-FZMZJTMJSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437298 650114641 /nfs/dbraw/zinc/11/46/41/650114641.db2.gz KZFISKVBEYCZQR-FZMZJTMJSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502172 633615549 /nfs/dbraw/zinc/61/55/49/633615549.db2.gz MQMUWLLJKLKBPD-GHMZBOCLSA-N 1 2 294.334 0.261 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502172 633615552 /nfs/dbraw/zinc/61/55/52/633615552.db2.gz MQMUWLLJKLKBPD-GHMZBOCLSA-N 1 2 294.334 0.261 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CCN(CC#N)CC2)c[nH+]1 ZINC000900777515 634085655 /nfs/dbraw/zinc/08/56/55/634085655.db2.gz RRBFSHYWSWBNBC-UHFFFAOYSA-N 1 2 275.356 0.594 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CCC2(O)CCC2)nn1 ZINC000905823512 634913365 /nfs/dbraw/zinc/91/33/65/634913365.db2.gz WAAYENOZEDXNQP-CQSZACIVSA-N 1 2 292.383 0.447 20 30 CCEDLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H](C)N1CC#N ZINC000911715229 636347983 /nfs/dbraw/zinc/34/79/83/636347983.db2.gz ZBORRARIBIYKKH-STQMWFEESA-N 1 2 287.367 0.938 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3coc(C#N)c3)CC[NH2+]2)cn1 ZINC000913475986 636822102 /nfs/dbraw/zinc/82/21/02/636822102.db2.gz ZISHAAXEHAKIAW-ZDUSSCGKSA-N 1 2 285.307 0.671 20 30 CCEDLO C#CCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000174103031 637245116 /nfs/dbraw/zinc/24/51/16/637245116.db2.gz BYOBORGOUKPTOA-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@@H]12 ZINC000992147938 637322751 /nfs/dbraw/zinc/32/27/51/637322751.db2.gz ALQRIEXQOJVKCS-IUODEOHRSA-N 1 2 288.351 0.486 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C3=NC(=O)N(C)C3)CCC[C@@H]12 ZINC000992147938 637322754 /nfs/dbraw/zinc/32/27/54/637322754.db2.gz ALQRIEXQOJVKCS-IUODEOHRSA-N 1 2 288.351 0.486 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015619518 637752838 /nfs/dbraw/zinc/75/28/38/637752838.db2.gz APCJDUCJBUPMIT-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015619518 637752841 /nfs/dbraw/zinc/75/28/41/637752841.db2.gz APCJDUCJBUPMIT-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993360676 637795186 /nfs/dbraw/zinc/79/51/86/637795186.db2.gz SELLHRMCWOZPKR-DGCLKSJQSA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993360676 637795191 /nfs/dbraw/zinc/79/51/91/637795191.db2.gz SELLHRMCWOZPKR-DGCLKSJQSA-N 1 2 289.383 0.648 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC000915826907 637797677 /nfs/dbraw/zinc/79/76/77/637797677.db2.gz FFUFLVPFJQGZBQ-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC000915826907 637797681 /nfs/dbraw/zinc/79/76/81/637797681.db2.gz FFUFLVPFJQGZBQ-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO O=C(NCC#CCO)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923759288 638053052 /nfs/dbraw/zinc/05/30/52/638053052.db2.gz QRPPRTNQWRJVGY-UHFFFAOYSA-N 1 2 288.351 0.663 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NCC#N ZINC000939642608 638385870 /nfs/dbraw/zinc/38/58/70/638385870.db2.gz LMCWGTGAWAGWCR-DGCLKSJQSA-N 1 2 275.356 0.313 20 30 CCEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1NCC#N ZINC000995924864 638804977 /nfs/dbraw/zinc/80/49/77/638804977.db2.gz QIOZNFCYRMYYSJ-NQBHXWOUSA-N 1 2 287.367 0.863 20 30 CCEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC000995924864 638804979 /nfs/dbraw/zinc/80/49/79/638804979.db2.gz QIOZNFCYRMYYSJ-NQBHXWOUSA-N 1 2 287.367 0.863 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000998745299 638938063 /nfs/dbraw/zinc/93/80/63/638938063.db2.gz GRSCFUNSDKYDFG-NXEZZACHSA-N 1 2 279.369 0.778 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000243582 639063517 /nfs/dbraw/zinc/06/35/17/639063517.db2.gz DKKHZNZPZMPYGH-JHJVBQTASA-N 1 2 287.367 0.628 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000431552 639086276 /nfs/dbraw/zinc/08/62/76/639086276.db2.gz ZPFFINKGRKQTRB-RYUDHWBXSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000431552 639086280 /nfs/dbraw/zinc/08/62/80/639086280.db2.gz ZPFFINKGRKQTRB-RYUDHWBXSA-N 1 2 275.356 0.692 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000641043 639145718 /nfs/dbraw/zinc/14/57/18/639145718.db2.gz UXTDSOJFIQLZJQ-NSHDSACASA-N 1 2 299.758 0.596 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000641043 639145725 /nfs/dbraw/zinc/14/57/25/639145725.db2.gz UXTDSOJFIQLZJQ-NSHDSACASA-N 1 2 299.758 0.596 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(CC#N)CC1 ZINC001001167939 639244414 /nfs/dbraw/zinc/24/44/14/639244414.db2.gz BXRQCEFTYHVVKL-ZIAGYGMSSA-N 1 2 299.378 0.795 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014791556 650488684 /nfs/dbraw/zinc/48/86/84/650488684.db2.gz DYFIQTXPVLXZSO-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014791556 650488686 /nfs/dbraw/zinc/48/86/86/650488686.db2.gz DYFIQTXPVLXZSO-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001003728134 639600755 /nfs/dbraw/zinc/60/07/55/639600755.db2.gz CLFAQYBCFYEMKT-UHFFFAOYSA-N 1 2 298.408 0.025 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001014974938 650509889 /nfs/dbraw/zinc/50/98/89/650509889.db2.gz KGKVPRXOCHLOIZ-LBPRGKRZSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001014974938 650509891 /nfs/dbraw/zinc/50/98/91/650509891.db2.gz KGKVPRXOCHLOIZ-LBPRGKRZSA-N 1 2 295.770 0.942 20 30 CCEDLO CC#CC[NH+]1CCC(N(C)C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001005932621 640034273 /nfs/dbraw/zinc/03/42/73/640034273.db2.gz ZQVOFXDIMJGIRT-UHFFFAOYSA-N 1 2 290.367 0.685 20 30 CCEDLO Cc1[nH+]c[nH]c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000755772164 640337060 /nfs/dbraw/zinc/33/70/60/640337060.db2.gz DNIRWFWYVXSAPD-UHFFFAOYSA-N 1 2 287.327 0.791 20 30 CCEDLO C=C(COC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)OCC ZINC000805477593 640391923 /nfs/dbraw/zinc/39/19/23/640391923.db2.gz LUBNMJGQUSDQLH-NSHDSACASA-N 1 2 271.313 0.370 20 30 CCEDLO C=C(COC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)OCC ZINC000805477593 640391929 /nfs/dbraw/zinc/39/19/29/640391929.db2.gz LUBNMJGQUSDQLH-NSHDSACASA-N 1 2 271.313 0.370 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCC(C)(C)CO ZINC000799115093 640542237 /nfs/dbraw/zinc/54/22/37/640542237.db2.gz QPXQFLIHXNBMBP-UHFFFAOYSA-N 1 2 253.306 0.009 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015694694 650611021 /nfs/dbraw/zinc/61/10/21/650611021.db2.gz BCPDMZXHUIFLPL-GWCFXTLKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001015694694 650611024 /nfs/dbraw/zinc/61/10/24/650611024.db2.gz BCPDMZXHUIFLPL-GWCFXTLKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001015820368 650634655 /nfs/dbraw/zinc/63/46/55/650634655.db2.gz GFLJJIGHVAGINM-NSHDSACASA-N 1 2 281.335 0.628 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001015820368 650634658 /nfs/dbraw/zinc/63/46/58/650634658.db2.gz GFLJJIGHVAGINM-NSHDSACASA-N 1 2 281.335 0.628 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001016301146 650713043 /nfs/dbraw/zinc/71/30/43/650713043.db2.gz SRWSAUNFJPYZOA-VXGBXAGGSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001016301146 650713046 /nfs/dbraw/zinc/71/30/46/650713046.db2.gz SRWSAUNFJPYZOA-VXGBXAGGSA-N 1 2 286.397 0.330 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[S@](C)=O ZINC000827990168 642057884 /nfs/dbraw/zinc/05/78/84/642057884.db2.gz GVXBYILDUNRJJI-GIPWTMENSA-N 1 2 293.396 0.237 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[S@](C)=O ZINC000827990168 642057886 /nfs/dbraw/zinc/05/78/86/642057886.db2.gz GVXBYILDUNRJJI-GIPWTMENSA-N 1 2 293.396 0.237 20 30 CCEDLO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000830417115 642262539 /nfs/dbraw/zinc/26/25/39/642262539.db2.gz QCSLLDRKYQEYDQ-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000830417115 642262543 /nfs/dbraw/zinc/26/25/43/642262543.db2.gz QCSLLDRKYQEYDQ-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO N#CCN1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016852932 650766403 /nfs/dbraw/zinc/76/64/03/650766403.db2.gz CUHCAAICLCYVID-LBPRGKRZSA-N 1 2 273.340 0.446 20 30 CCEDLO C=CCOCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842971281 642973942 /nfs/dbraw/zinc/97/39/42/642973942.db2.gz QCNHEIWJKOBLPU-QWHCGFSZSA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCOCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842971281 642973948 /nfs/dbraw/zinc/97/39/48/642973948.db2.gz QCNHEIWJKOBLPU-QWHCGFSZSA-N 1 2 287.356 0.468 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nn1 ZINC001017528844 650809449 /nfs/dbraw/zinc/80/94/49/650809449.db2.gz VSNJKRFKWUPQSU-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nn1 ZINC001017528844 650809451 /nfs/dbraw/zinc/80/94/51/650809451.db2.gz VSNJKRFKWUPQSU-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@@H]1CCOC1 ZINC001017554338 650810536 /nfs/dbraw/zinc/81/05/36/650810536.db2.gz WZRVUYMNEONYTB-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@@H]1CCOC1 ZINC001017554338 650810539 /nfs/dbraw/zinc/81/05/39/650810539.db2.gz WZRVUYMNEONYTB-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]cnc2c1 ZINC001017591130 650812864 /nfs/dbraw/zinc/81/28/64/650812864.db2.gz PCCAOUUNGAJNPC-BETUJISGSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]cnc2c1 ZINC001017591130 650812865 /nfs/dbraw/zinc/81/28/65/650812865.db2.gz PCCAOUUNGAJNPC-BETUJISGSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2ccnn21 ZINC001017611208 650813539 /nfs/dbraw/zinc/81/35/39/650813539.db2.gz OCYBVTGDBBMDAS-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2ccnn21 ZINC001017611208 650813540 /nfs/dbraw/zinc/81/35/40/650813540.db2.gz OCYBVTGDBBMDAS-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCCO[C@H]1C ZINC001017628550 650814158 /nfs/dbraw/zinc/81/41/58/650814158.db2.gz BZVVPRNGIHISJN-FQUUOJAGSA-N 1 2 278.352 0.099 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCCO[C@H]1C ZINC001017628550 650814160 /nfs/dbraw/zinc/81/41/60/650814160.db2.gz BZVVPRNGIHISJN-FQUUOJAGSA-N 1 2 278.352 0.099 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2ncnn21 ZINC001017709225 650818649 /nfs/dbraw/zinc/81/86/49/650818649.db2.gz JSYHJKFUGUCTSN-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2ncnn21 ZINC001017709225 650818651 /nfs/dbraw/zinc/81/86/51/650818651.db2.gz JSYHJKFUGUCTSN-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cc[nH]c12 ZINC001018215293 650848033 /nfs/dbraw/zinc/84/80/33/650848033.db2.gz KUWHSHYDWVLOQB-TXEJJXNPSA-N 1 2 283.335 0.584 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cc[nH]c12 ZINC001018215293 650848035 /nfs/dbraw/zinc/84/80/35/650848035.db2.gz KUWHSHYDWVLOQB-TXEJJXNPSA-N 1 2 283.335 0.584 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncn1C ZINC001018226263 650848602 /nfs/dbraw/zinc/84/86/02/650848602.db2.gz DZCUCTPKZPKURM-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncn1C ZINC001018226263 650848606 /nfs/dbraw/zinc/84/86/06/650848606.db2.gz DZCUCTPKZPKURM-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1CC ZINC001018226442 650848838 /nfs/dbraw/zinc/84/88/38/650848838.db2.gz WZKZEMQUFILVJC-TXEJJXNPSA-N 1 2 272.352 0.894 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1CC ZINC001018226442 650848841 /nfs/dbraw/zinc/84/88/41/650848841.db2.gz WZKZEMQUFILVJC-TXEJJXNPSA-N 1 2 272.352 0.894 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018268906 650851503 /nfs/dbraw/zinc/85/15/03/650851503.db2.gz CYTOASBTBZBPQH-TXEJJXNPSA-N 1 2 260.341 0.895 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)n1 ZINC001018268906 650851506 /nfs/dbraw/zinc/85/15/06/650851506.db2.gz CYTOASBTBZBPQH-TXEJJXNPSA-N 1 2 260.341 0.895 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)=O ZINC001018317038 650852831 /nfs/dbraw/zinc/85/28/31/650852831.db2.gz NHZFRGAFUGQPIA-QLFBSQMISA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)=O ZINC001018317038 650852834 /nfs/dbraw/zinc/85/28/34/650852834.db2.gz NHZFRGAFUGQPIA-QLFBSQMISA-N 1 2 289.379 0.306 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431827 643963111 /nfs/dbraw/zinc/96/31/11/643963111.db2.gz VCVHTSUJWFRZHD-NEPJUHHUSA-N 1 2 262.313 0.956 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431827 643963115 /nfs/dbraw/zinc/96/31/15/643963115.db2.gz VCVHTSUJWFRZHD-NEPJUHHUSA-N 1 2 262.313 0.956 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)ccc1F ZINC000854896460 644271376 /nfs/dbraw/zinc/27/13/76/644271376.db2.gz LAKVCKSFJSNEQN-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)ccc1F ZINC000854896460 644271379 /nfs/dbraw/zinc/27/13/79/644271379.db2.gz LAKVCKSFJSNEQN-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C#CC2CC2)[C@@H](C)CO1 ZINC000855407586 644311465 /nfs/dbraw/zinc/31/14/65/644311465.db2.gz NNDYLQYSWXGXMX-NWDGAFQWSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#CC2CC2)[C@@H](C)CO1 ZINC000855407586 644311474 /nfs/dbraw/zinc/31/14/74/644311474.db2.gz NNDYLQYSWXGXMX-NWDGAFQWSA-N 1 2 250.342 0.625 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001018994224 650928143 /nfs/dbraw/zinc/92/81/43/650928143.db2.gz LMKJXJJJFTWCAM-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001018994224 650928145 /nfs/dbraw/zinc/92/81/45/650928145.db2.gz LMKJXJJJFTWCAM-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859270283 644681217 /nfs/dbraw/zinc/68/12/17/644681217.db2.gz OAHDLTRWNDZVTI-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859270283 644681224 /nfs/dbraw/zinc/68/12/24/644681224.db2.gz OAHDLTRWNDZVTI-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO N#CCOc1ccc(Cl)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000859452694 644698122 /nfs/dbraw/zinc/69/81/22/644698122.db2.gz HARZIGCSLUBCPW-RYUDHWBXSA-N 1 2 282.727 0.780 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016664 644755400 /nfs/dbraw/zinc/75/54/00/644755400.db2.gz MWRADHPKEKNJQF-CQSZACIVSA-N 1 2 289.335 0.665 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016664 644755410 /nfs/dbraw/zinc/75/54/10/644755410.db2.gz MWRADHPKEKNJQF-CQSZACIVSA-N 1 2 289.335 0.665 20 30 CCEDLO O=C1CN=C(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)N1 ZINC000863176874 645066718 /nfs/dbraw/zinc/06/67/18/645066718.db2.gz FOKUWZJWYUARLZ-MRVPVSSYSA-N 1 2 269.308 0.769 20 30 CCEDLO N#C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCOC1 ZINC000864413386 645223397 /nfs/dbraw/zinc/22/33/97/645223397.db2.gz JYUSXNOAVOKQKG-ZDUSSCGKSA-N 1 2 262.313 0.710 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(F)c(F)c2O)N1 ZINC000872364742 646252461 /nfs/dbraw/zinc/25/24/61/646252461.db2.gz SNJWPYZPALTJBW-ZCFIWIBFSA-N 1 2 254.240 0.942 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000876522215 646618383 /nfs/dbraw/zinc/61/83/83/646618383.db2.gz LABHBTZCWFHJHF-SNVBAGLBSA-N 1 2 285.756 0.883 20 30 CCEDLO C#CC[N@@H+](C[C@](C)(CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000876624843 646633946 /nfs/dbraw/zinc/63/39/46/646633946.db2.gz LZHKEEBYXNSFLK-STQMWFEESA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](C[C@](C)(CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000876624843 646633948 /nfs/dbraw/zinc/63/39/48/646633948.db2.gz LZHKEEBYXNSFLK-STQMWFEESA-N 1 2 273.398 0.924 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000877583964 646825632 /nfs/dbraw/zinc/82/56/32/646825632.db2.gz NELGBKCOZMEGMQ-CYBMUJFWSA-N 1 2 281.743 0.926 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000877583964 646825635 /nfs/dbraw/zinc/82/56/35/646825635.db2.gz NELGBKCOZMEGMQ-CYBMUJFWSA-N 1 2 281.743 0.926 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+](CCn3cnnn3)CCO2)c1 ZINC000878322676 646893118 /nfs/dbraw/zinc/89/31/18/646893118.db2.gz MRKOMJGPFNCVQB-AWEZNQCLSA-N 1 2 284.323 0.618 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCn3cnnn3)CCO2)c1 ZINC000878322676 646893120 /nfs/dbraw/zinc/89/31/20/646893120.db2.gz MRKOMJGPFNCVQB-AWEZNQCLSA-N 1 2 284.323 0.618 20 30 CCEDLO C[C@@H](C#N)OCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000881323402 647302905 /nfs/dbraw/zinc/30/29/05/647302905.db2.gz IFPVNQHUVNOPCP-LBPRGKRZSA-N 1 2 279.344 0.081 20 30 CCEDLO Cc1c(C#N)c(=O)n(Cc2cc[nH+]c(N(C)C)c2)c(=O)n1C ZINC000882266836 647389760 /nfs/dbraw/zinc/38/97/60/647389760.db2.gz LAMKPRHEHXKMAF-UHFFFAOYSA-N 1 2 299.334 0.236 20 30 CCEDLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2C1 ZINC000884250234 647681028 /nfs/dbraw/zinc/68/10/28/647681028.db2.gz ZZRVMKXJIZEUEY-LNLATYFQSA-N 1 2 273.340 0.376 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886146832 647907185 /nfs/dbraw/zinc/90/71/85/647907185.db2.gz DAGZKGKTQMAZTR-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886146832 647907192 /nfs/dbraw/zinc/90/71/92/647907192.db2.gz DAGZKGKTQMAZTR-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ncn(C)n1 ZINC000886157801 647909062 /nfs/dbraw/zinc/90/90/62/647909062.db2.gz LGQUHWUQCVBWJE-MNOVXSKESA-N 1 2 263.345 0.911 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887688577 648143391 /nfs/dbraw/zinc/14/33/91/648143391.db2.gz MVRRSVSYRCSSQE-GWCFXTLKSA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887688577 648143396 /nfs/dbraw/zinc/14/33/96/648143396.db2.gz MVRRSVSYRCSSQE-GWCFXTLKSA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@@H](CC(=O)N1CCO[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690830 648145125 /nfs/dbraw/zinc/14/51/25/648145125.db2.gz UXTXSWOIVALFKM-AAEUAGOBSA-N 1 2 262.313 0.975 20 30 CCEDLO C[C@H](CNC(=O)CN(C)C[C@H](C)C#N)[N@H+](C)C[C@H](C)C#N ZINC000929473874 648742473 /nfs/dbraw/zinc/74/24/73/648742473.db2.gz GYVINFKCIFVKCC-MGPQQGTHSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@H](CNC(=O)CN(C)C[C@H](C)C#N)[N@@H+](C)C[C@H](C)C#N ZINC000929473874 648742478 /nfs/dbraw/zinc/74/24/78/648742478.db2.gz GYVINFKCIFVKCC-MGPQQGTHSA-N 1 2 293.415 0.674 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000930540040 648873733 /nfs/dbraw/zinc/87/37/33/648873733.db2.gz CVTWPQTYXDUPRF-LLVKDONJSA-N 1 2 262.269 0.683 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000930540040 648873734 /nfs/dbraw/zinc/87/37/34/648873734.db2.gz CVTWPQTYXDUPRF-LLVKDONJSA-N 1 2 262.269 0.683 20 30 CCEDLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817899 648910603 /nfs/dbraw/zinc/91/06/03/648910603.db2.gz AHFQZAZXYYDMRO-WFASDCNBSA-N 1 2 295.383 0.363 20 30 CCEDLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817899 648910609 /nfs/dbraw/zinc/91/06/09/648910609.db2.gz AHFQZAZXYYDMRO-WFASDCNBSA-N 1 2 295.383 0.363 20 30 CCEDLO C[C@]1(C#N)CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000931061694 648942237 /nfs/dbraw/zinc/94/22/37/648942237.db2.gz BSNLULOSBVXBDM-LLVKDONJSA-N 1 2 257.359 0.113 20 30 CCEDLO C[C@]1(C#N)CC[N@@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000931061694 648942241 /nfs/dbraw/zinc/94/22/41/648942241.db2.gz BSNLULOSBVXBDM-LLVKDONJSA-N 1 2 257.359 0.113 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000932151549 649054286 /nfs/dbraw/zinc/05/42/86/649054286.db2.gz ZDZTXOREUFVJEF-RWMBFGLXSA-N 1 2 254.330 0.124 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000932151549 649054288 /nfs/dbraw/zinc/05/42/88/649054288.db2.gz ZDZTXOREUFVJEF-RWMBFGLXSA-N 1 2 254.330 0.124 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000934511729 649177820 /nfs/dbraw/zinc/17/78/20/649177820.db2.gz XWYIGHZWICOXQC-RYUDHWBXSA-N 1 2 281.356 0.335 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000934511729 649177823 /nfs/dbraw/zinc/17/78/23/649177823.db2.gz XWYIGHZWICOXQC-RYUDHWBXSA-N 1 2 281.356 0.335 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000934512529 649177987 /nfs/dbraw/zinc/17/79/87/649177987.db2.gz POPZSWHSJMKCNB-GFCCVEGCSA-N 1 2 296.396 0.186 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000934512529 649177994 /nfs/dbraw/zinc/17/79/94/649177994.db2.gz POPZSWHSJMKCNB-GFCCVEGCSA-N 1 2 296.396 0.186 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000934511727 649178073 /nfs/dbraw/zinc/17/80/73/649178073.db2.gz XWYIGHZWICOXQC-NEPJUHHUSA-N 1 2 281.356 0.335 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H](C)COC ZINC000934511727 649178077 /nfs/dbraw/zinc/17/80/77/649178077.db2.gz XWYIGHZWICOXQC-NEPJUHHUSA-N 1 2 281.356 0.335 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)C1=O ZINC001017278974 649690248 /nfs/dbraw/zinc/69/02/48/649690248.db2.gz FWHVIDYOFMJRJZ-HZSPNIEDSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)C1=O ZINC001017278974 649690251 /nfs/dbraw/zinc/69/02/51/649690251.db2.gz FWHVIDYOFMJRJZ-HZSPNIEDSA-N 1 2 277.368 0.468 20 30 CCEDLO N#CCCN1CCN(c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001165055899 722024532 /nfs/dbraw/zinc/02/45/32/722024532.db2.gz WOLPTHMGVUKHCV-UHFFFAOYSA-N 1 2 287.323 0.448 20 30 CCEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cncnc2)C3)CCC1 ZINC001277445551 805582199 /nfs/dbraw/zinc/58/21/99/805582199.db2.gz CIWPXSFGULFJHW-CYBMUJFWSA-N 1 2 297.362 0.861 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC)C1=O ZINC001230551249 805619194 /nfs/dbraw/zinc/61/91/94/805619194.db2.gz ATAIJNLNOMGIAD-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC)C1=O ZINC001230551249 805619198 /nfs/dbraw/zinc/61/91/98/805619198.db2.gz ATAIJNLNOMGIAD-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC001230584765 805628615 /nfs/dbraw/zinc/62/86/15/805628615.db2.gz NMQSPZUFFSNJMM-HNNXBMFYSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC001230584765 805628623 /nfs/dbraw/zinc/62/86/23/805628623.db2.gz NMQSPZUFFSNJMM-HNNXBMFYSA-N 1 2 287.363 0.878 20 30 CCEDLO C[N@H+](CCNC(=O)c1cccs1)CC(=O)NCC#N ZINC001266253331 790334057 /nfs/dbraw/zinc/33/40/57/790334057.db2.gz VIYWLCAFIZIAHS-UHFFFAOYSA-N 1 2 280.353 0.049 20 30 CCEDLO C[N@@H+](CCNC(=O)c1cccs1)CC(=O)NCC#N ZINC001266253331 790334068 /nfs/dbraw/zinc/33/40/68/790334068.db2.gz VIYWLCAFIZIAHS-UHFFFAOYSA-N 1 2 280.353 0.049 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001266272987 790373508 /nfs/dbraw/zinc/37/35/08/790373508.db2.gz HYLWFXMZHYTBLT-UHFFFAOYSA-N 1 2 262.357 0.628 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001266272987 790373518 /nfs/dbraw/zinc/37/35/18/790373518.db2.gz HYLWFXMZHYTBLT-UHFFFAOYSA-N 1 2 262.357 0.628 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001266307593 790479731 /nfs/dbraw/zinc/47/97/31/790479731.db2.gz HAWAMCWTTNBAHE-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001266307593 790479737 /nfs/dbraw/zinc/47/97/37/790479737.db2.gz HAWAMCWTTNBAHE-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2)C1 ZINC001266325170 790510013 /nfs/dbraw/zinc/51/00/13/790510013.db2.gz KWKURXDVRXFALA-HNNXBMFYSA-N 1 2 299.374 0.169 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2)C1 ZINC001266325170 790510020 /nfs/dbraw/zinc/51/00/20/790510020.db2.gz KWKURXDVRXFALA-HNNXBMFYSA-N 1 2 299.374 0.169 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCCC ZINC001266326624 790512996 /nfs/dbraw/zinc/51/29/96/790512996.db2.gz GGSWQGQFXLAGMK-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCCC ZINC001266326624 790513004 /nfs/dbraw/zinc/51/30/04/790513004.db2.gz GGSWQGQFXLAGMK-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266457646 790750273 /nfs/dbraw/zinc/75/02/73/790750273.db2.gz LPJMKXWKEHLRSS-NWDGAFQWSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266457646 790750280 /nfs/dbraw/zinc/75/02/80/790750280.db2.gz LPJMKXWKEHLRSS-NWDGAFQWSA-N 1 2 292.383 0.253 20 30 CCEDLO N#CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001266596798 791002400 /nfs/dbraw/zinc/00/24/00/791002400.db2.gz OBPCJBWVNAIVTH-VXGBXAGGSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001266596798 791002402 /nfs/dbraw/zinc/00/24/02/791002402.db2.gz OBPCJBWVNAIVTH-VXGBXAGGSA-N 1 2 273.340 0.617 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001266659871 791094078 /nfs/dbraw/zinc/09/40/78/791094078.db2.gz JCFGUFNVOONSSR-BDAKNGLRSA-N 1 2 267.358 0.807 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230676869 805645976 /nfs/dbraw/zinc/64/59/76/805645976.db2.gz UECSWJIDPXPDAT-ZDUSSCGKSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230676869 805645984 /nfs/dbraw/zinc/64/59/84/805645984.db2.gz UECSWJIDPXPDAT-ZDUSSCGKSA-N 1 2 277.368 0.235 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230695011 805649064 /nfs/dbraw/zinc/64/90/64/805649064.db2.gz JBWPCZDWLHTSKV-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230695011 805649068 /nfs/dbraw/zinc/64/90/68/805649068.db2.gz JBWPCZDWLHTSKV-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230785839 805665104 /nfs/dbraw/zinc/66/51/04/805665104.db2.gz PWRFLHCBTAORHS-QWHCGFSZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230785839 805665107 /nfs/dbraw/zinc/66/51/07/805665107.db2.gz PWRFLHCBTAORHS-QWHCGFSZSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795927 805667228 /nfs/dbraw/zinc/66/72/28/805667228.db2.gz VSCGLPIEQZGLQS-ZIAGYGMSSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795927 805667230 /nfs/dbraw/zinc/66/72/30/805667230.db2.gz VSCGLPIEQZGLQS-ZIAGYGMSSA-N 1 2 293.411 0.847 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccon1 ZINC001230889302 805685600 /nfs/dbraw/zinc/68/56/00/805685600.db2.gz ICHHHELAJLTGMM-GFCCVEGCSA-N 1 2 277.324 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccon1 ZINC001230889302 805685601 /nfs/dbraw/zinc/68/56/01/805685601.db2.gz ICHHHELAJLTGMM-GFCCVEGCSA-N 1 2 277.324 0.471 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230990044 805705355 /nfs/dbraw/zinc/70/53/55/805705355.db2.gz UHKLQRVJGFXFSL-GUNGLEHYSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230990044 805705364 /nfs/dbraw/zinc/70/53/64/805705364.db2.gz UHKLQRVJGFXFSL-GUNGLEHYSA-N 1 2 291.395 0.625 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001231062405 805719657 /nfs/dbraw/zinc/71/96/57/805719657.db2.gz PNJNXKUYPATPRD-UONOGXRCSA-N 1 2 280.368 0.205 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001231062405 805719663 /nfs/dbraw/zinc/71/96/63/805719663.db2.gz PNJNXKUYPATPRD-UONOGXRCSA-N 1 2 280.368 0.205 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001231231929 805757868 /nfs/dbraw/zinc/75/78/68/805757868.db2.gz AJHHGGQLIGENDC-ZDUSSCGKSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001231231929 805757874 /nfs/dbraw/zinc/75/78/74/805757874.db2.gz AJHHGGQLIGENDC-ZDUSSCGKSA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231247856 805761781 /nfs/dbraw/zinc/76/17/81/805761781.db2.gz RYSLENYMCWFRTN-YPMHNXCESA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231247856 805761785 /nfs/dbraw/zinc/76/17/85/805761785.db2.gz RYSLENYMCWFRTN-YPMHNXCESA-N 1 2 275.356 0.612 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001083429977 814924916 /nfs/dbraw/zinc/92/49/16/814924916.db2.gz YWSZRVPKMGDJTP-MNOVXSKESA-N 1 2 282.727 0.731 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001083429977 814924920 /nfs/dbraw/zinc/92/49/20/814924920.db2.gz YWSZRVPKMGDJTP-MNOVXSKESA-N 1 2 282.727 0.731 20 30 CCEDLO C=CCN(CC[N@@H+]1CC[C@H]2C[C@]21C(N)=O)C(=O)OCC ZINC001277671320 805946508 /nfs/dbraw/zinc/94/65/08/805946508.db2.gz GIAZOGVMGVRORW-SMDDNHRTSA-N 1 2 281.356 0.581 20 30 CCEDLO C=CCN(CC[N@H+]1CC[C@H]2C[C@]21C(N)=O)C(=O)OCC ZINC001277671320 805946515 /nfs/dbraw/zinc/94/65/15/805946515.db2.gz GIAZOGVMGVRORW-SMDDNHRTSA-N 1 2 281.356 0.581 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001277682323 805959259 /nfs/dbraw/zinc/95/92/59/805959259.db2.gz MTQZWNNAWIIQTO-LLVKDONJSA-N 1 2 282.388 0.398 20 30 CCEDLO C[C@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673735 805967475 /nfs/dbraw/zinc/96/74/75/805967475.db2.gz LYUZSEZUGQGWIV-LSDHHAIUSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673735 805967478 /nfs/dbraw/zinc/96/74/78/805967478.db2.gz LYUZSEZUGQGWIV-LSDHHAIUSA-N 1 2 276.336 0.829 20 30 CCEDLO CNC(=O)NC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048804 806015135 /nfs/dbraw/zinc/01/51/35/806015135.db2.gz MTIMFMKJKNHDJG-UHFFFAOYSA-N 1 2 261.329 0.780 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001277771978 806028517 /nfs/dbraw/zinc/02/85/17/806028517.db2.gz SVILPCRHYYKRAS-SNVBAGLBSA-N 1 2 282.344 0.517 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213356778 791364395 /nfs/dbraw/zinc/36/43/95/791364395.db2.gz AHSHOQQECUYDPX-FRRDWIJNSA-N 1 2 297.399 0.422 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213356778 791364401 /nfs/dbraw/zinc/36/44/01/791364401.db2.gz AHSHOQQECUYDPX-FRRDWIJNSA-N 1 2 297.399 0.422 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233489229 806063706 /nfs/dbraw/zinc/06/37/06/806063706.db2.gz KAAURRFLFHMDMJ-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233489229 806063710 /nfs/dbraw/zinc/06/37/10/806063710.db2.gz KAAURRFLFHMDMJ-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1oc(C)nc1C ZINC001267189535 791644890 /nfs/dbraw/zinc/64/48/90/791644890.db2.gz OEPMIRWRIYTTHJ-UHFFFAOYSA-N 1 2 294.355 0.255 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1oc(C)nc1C ZINC001267189535 791644898 /nfs/dbraw/zinc/64/48/98/791644898.db2.gz OEPMIRWRIYTTHJ-UHFFFAOYSA-N 1 2 294.355 0.255 20 30 CCEDLO CC#CC[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198606 791661346 /nfs/dbraw/zinc/66/13/46/791661346.db2.gz VWGALZOXFJFZAB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198606 791661350 /nfs/dbraw/zinc/66/13/50/791661350.db2.gz VWGALZOXFJFZAB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001267198606 791661353 /nfs/dbraw/zinc/66/13/53/791661353.db2.gz VWGALZOXFJFZAB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CC[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001267198606 791661355 /nfs/dbraw/zinc/66/13/55/791661355.db2.gz VWGALZOXFJFZAB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(F)s1 ZINC001267232703 791714381 /nfs/dbraw/zinc/71/43/81/791714381.db2.gz CFERCHXGMQVNKW-UHFFFAOYSA-N 1 2 297.355 0.298 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(F)s1 ZINC001267232703 791714386 /nfs/dbraw/zinc/71/43/86/791714386.db2.gz CFERCHXGMQVNKW-UHFFFAOYSA-N 1 2 297.355 0.298 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233663024 806103993 /nfs/dbraw/zinc/10/39/93/806103993.db2.gz IXPBQIRHOIIOOC-STQMWFEESA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233663024 806103996 /nfs/dbraw/zinc/10/39/96/806103996.db2.gz IXPBQIRHOIIOOC-STQMWFEESA-N 1 2 293.411 0.867 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925570 806147881 /nfs/dbraw/zinc/14/78/81/806147881.db2.gz JZZBLYHFVTVBNP-UONOGXRCSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925570 806147887 /nfs/dbraw/zinc/14/78/87/806147887.db2.gz JZZBLYHFVTVBNP-UONOGXRCSA-N 1 2 293.411 0.705 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177382 806195930 /nfs/dbraw/zinc/19/59/30/806195930.db2.gz BCOSDBNRYRKRJN-HNNXBMFYSA-N 1 2 274.364 0.582 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177382 806195933 /nfs/dbraw/zinc/19/59/33/806195933.db2.gz BCOSDBNRYRKRJN-HNNXBMFYSA-N 1 2 274.364 0.582 20 30 CCEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1cnns1 ZINC001234154568 806192684 /nfs/dbraw/zinc/19/26/84/806192684.db2.gz MOFNMCWQPRILAW-UHFFFAOYSA-N 1 2 299.425 0.733 20 30 CCEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1cnns1 ZINC001234154568 806192685 /nfs/dbraw/zinc/19/26/85/806192685.db2.gz MOFNMCWQPRILAW-UHFFFAOYSA-N 1 2 299.425 0.733 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196851 806201877 /nfs/dbraw/zinc/20/18/77/806201877.db2.gz WBHOYGSPCBHUNN-KGLIPLIRSA-N 1 2 289.379 0.163 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)C#CC1CC1 ZINC001234196851 806201886 /nfs/dbraw/zinc/20/18/86/806201886.db2.gz WBHOYGSPCBHUNN-KGLIPLIRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234331749 806224066 /nfs/dbraw/zinc/22/40/66/806224066.db2.gz CEEDSKGHTMKAMD-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001234331749 806224069 /nfs/dbraw/zinc/22/40/69/806224069.db2.gz CEEDSKGHTMKAMD-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234604843 806283965 /nfs/dbraw/zinc/28/39/65/806283965.db2.gz WTZVYPFSLNRPJR-NWDGAFQWSA-N 1 2 267.373 0.749 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234604843 806283971 /nfs/dbraw/zinc/28/39/71/806283971.db2.gz WTZVYPFSLNRPJR-NWDGAFQWSA-N 1 2 267.373 0.749 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001235229869 806392164 /nfs/dbraw/zinc/39/21/64/806392164.db2.gz PYHYDKYDWDRRKX-LBPRGKRZSA-N 1 2 296.371 0.989 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001235229869 806392173 /nfs/dbraw/zinc/39/21/73/806392173.db2.gz PYHYDKYDWDRRKX-LBPRGKRZSA-N 1 2 296.371 0.989 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001235451106 806424175 /nfs/dbraw/zinc/42/41/75/806424175.db2.gz CLNNGSJWZZOOLO-UHFFFAOYSA-N 1 2 252.318 0.974 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001235451106 806424183 /nfs/dbraw/zinc/42/41/83/806424183.db2.gz CLNNGSJWZZOOLO-UHFFFAOYSA-N 1 2 252.318 0.974 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(C(=O)OCC)n[nH]2)CC1 ZINC001237030573 806629793 /nfs/dbraw/zinc/62/97/93/806629793.db2.gz BCDSAAYKHGWIMD-UHFFFAOYSA-N 1 2 276.340 0.337 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001278054818 806641008 /nfs/dbraw/zinc/64/10/08/806641008.db2.gz WMHJBBVBSJZMJS-SNVBAGLBSA-N 1 2 269.370 0.676 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237464443 806671165 /nfs/dbraw/zinc/67/11/65/806671165.db2.gz SWLAFRUETNFXJB-LBPRGKRZSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237464443 806671171 /nfs/dbraw/zinc/67/11/71/806671171.db2.gz SWLAFRUETNFXJB-LBPRGKRZSA-N 1 2 273.340 0.847 20 30 CCEDLO C#CCCCCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121353328 799035162 /nfs/dbraw/zinc/03/51/62/799035162.db2.gz QIHLNUZSGBZMOG-CYBMUJFWSA-N 1 2 290.367 0.868 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001121409490 799042410 /nfs/dbraw/zinc/04/24/10/799042410.db2.gz ZWEKVOHXVFAUOS-VXGBXAGGSA-N 1 2 279.388 0.955 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001121409490 799042412 /nfs/dbraw/zinc/04/24/12/799042412.db2.gz ZWEKVOHXVFAUOS-VXGBXAGGSA-N 1 2 279.388 0.955 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)C1CC1 ZINC001121609556 799060160 /nfs/dbraw/zinc/06/01/60/799060160.db2.gz MJEDDFHHNWNLKZ-NEPJUHHUSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)C1CC1 ZINC001121609556 799060167 /nfs/dbraw/zinc/06/01/67/799060167.db2.gz MJEDDFHHNWNLKZ-NEPJUHHUSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCC[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC001122466261 799241398 /nfs/dbraw/zinc/24/13/98/799241398.db2.gz MYPVUJOWSMAZNQ-LBPRGKRZSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001123679945 799453852 /nfs/dbraw/zinc/45/38/52/799453852.db2.gz BZMSDPZNZHUKAX-NSHDSACASA-N 1 2 251.330 0.654 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001123693539 799455824 /nfs/dbraw/zinc/45/58/24/799455824.db2.gz AZGFLPWCOHPVIQ-UHFFFAOYSA-N 1 2 260.297 0.013 20 30 CCEDLO C=C(CC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001123826083 799481906 /nfs/dbraw/zinc/48/19/06/799481906.db2.gz ZJFAFZMMWBWZCM-UHFFFAOYSA-N 1 2 289.383 0.681 20 30 CCEDLO C=CC(C)(C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001123887925 799495070 /nfs/dbraw/zinc/49/50/70/799495070.db2.gz YBHXVKBNBZVPCO-LBPRGKRZSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001125256440 799670127 /nfs/dbraw/zinc/67/01/27/799670127.db2.gz XGJYCZHVIIWKCU-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO C#CCCCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001137738686 799686160 /nfs/dbraw/zinc/68/61/60/799686160.db2.gz DMXVDWDTFVJNEJ-CYBMUJFWSA-N 1 2 278.352 0.686 20 30 CCEDLO N#CCN1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053669 800314226 /nfs/dbraw/zinc/31/42/26/800314226.db2.gz LPJBIHXPGBSXEE-ZDUSSCGKSA-N 1 2 291.355 0.004 20 30 CCEDLO CC[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N ZINC001153006725 800579812 /nfs/dbraw/zinc/57/98/12/800579812.db2.gz IEIQADTWRXJGRN-QWHCGFSZSA-N 1 2 296.415 0.889 20 30 CCEDLO CC[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N ZINC001153006725 800579814 /nfs/dbraw/zinc/57/98/14/800579814.db2.gz IEIQADTWRXJGRN-QWHCGFSZSA-N 1 2 296.415 0.889 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001153080902 800593698 /nfs/dbraw/zinc/59/36/98/800593698.db2.gz HWJSRBOPUBYPSH-UHFFFAOYSA-N 1 2 294.355 0.746 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001153134320 800600488 /nfs/dbraw/zinc/60/04/88/800600488.db2.gz BRGRMUOOTQHJMR-SNVBAGLBSA-N 1 2 294.355 0.744 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153787633 800667010 /nfs/dbraw/zinc/66/70/10/800667010.db2.gz CEPBCFFAIHVNRB-LLVKDONJSA-N 1 2 263.345 0.692 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153787633 800667011 /nfs/dbraw/zinc/66/70/11/800667011.db2.gz CEPBCFFAIHVNRB-LLVKDONJSA-N 1 2 263.345 0.692 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nccc(F)c2C#N)C1 ZINC001155195912 800927808 /nfs/dbraw/zinc/92/78/08/800927808.db2.gz GRLXTGSFCAODOS-SECBINFHSA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nccc(F)c2C#N)C1 ZINC001155195912 800927811 /nfs/dbraw/zinc/92/78/11/800927811.db2.gz GRLXTGSFCAODOS-SECBINFHSA-N 1 2 250.277 0.835 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCC2 ZINC001156320991 801147586 /nfs/dbraw/zinc/14/75/86/801147586.db2.gz KTDBMZZAGHLROS-QMMMGPOBSA-N 1 2 263.732 0.920 20 30 CCEDLO COc1ccc2c(c1)ncnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156320194 801150213 /nfs/dbraw/zinc/15/02/13/801150213.db2.gz UCCWFFWUMJBOJB-JTQLQIEISA-N 1 2 269.308 0.940 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1ccc(Cl)nn1 ZINC001156332314 801152052 /nfs/dbraw/zinc/15/20/52/801152052.db2.gz IYEXNPJWNRFOIH-XVKPBYJWSA-N 1 2 271.683 0.559 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676436 801210170 /nfs/dbraw/zinc/21/01/70/801210170.db2.gz CMNJGWDPQGZMJJ-GFCCVEGCSA-N 1 2 277.372 0.703 20 30 CCEDLO C[NH+]1CC(NC(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156889217 801254738 /nfs/dbraw/zinc/25/47/38/801254738.db2.gz MDDIQJWAOWBZJW-UHFFFAOYSA-N 1 2 255.281 0.478 20 30 CCEDLO CCc1nc(C[NH2+]CCCNC(=O)C#CC2CC2)no1 ZINC001157698699 801458290 /nfs/dbraw/zinc/45/82/90/801458290.db2.gz GLJITNXIUVGVJE-UHFFFAOYSA-N 1 2 276.340 0.641 20 30 CCEDLO Cc1c[nH+]c(NC[C@H]2CNC(=O)CO2)c(/C=N/O)c1 ZINC001158394180 801635051 /nfs/dbraw/zinc/63/50/51/801635051.db2.gz OQFCKEWQUICCGW-YNBPQHANSA-N 1 2 264.285 0.125 20 30 CCEDLO C#C[C@](C)(N)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135769 801763107 /nfs/dbraw/zinc/76/31/07/801763107.db2.gz ZHJHKZXPKATZFL-UXLLHSPISA-N 1 2 298.390 0.607 20 30 CCEDLO C#C[C@](C)(N)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135769 801763110 /nfs/dbraw/zinc/76/31/10/801763110.db2.gz ZHJHKZXPKATZFL-UXLLHSPISA-N 1 2 298.390 0.607 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159135769 801763113 /nfs/dbraw/zinc/76/31/13/801763113.db2.gz ZHJHKZXPKATZFL-UXLLHSPISA-N 1 2 298.390 0.607 20 30 CCEDLO N=C(Nc1cc[nH+]c(N)n1)c1ccc(C(N)=O)cc1 ZINC001160083248 801905319 /nfs/dbraw/zinc/90/53/19/801905319.db2.gz XISFKHLNHPYKEG-UHFFFAOYSA-N 1 2 256.269 0.195 20 30 CCEDLO CCN(CC)c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]cn1 ZINC001160176069 801915178 /nfs/dbraw/zinc/91/51/78/801915178.db2.gz DTHXJTWLUUNESL-CABZTGNLSA-N 1 2 279.344 0.971 20 30 CCEDLO CCN(CC)c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc[nH+]1 ZINC001160176069 801915187 /nfs/dbraw/zinc/91/51/87/801915187.db2.gz DTHXJTWLUUNESL-CABZTGNLSA-N 1 2 279.344 0.971 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nccnc1C#N ZINC001160691777 802003205 /nfs/dbraw/zinc/00/32/05/802003205.db2.gz WCUXMGUDBYGVND-JTQLQIEISA-N 1 2 286.295 0.278 20 30 CCEDLO N#CCc1ccc[nH+]c1NCCC(=O)N1CCOCC1 ZINC001161974131 802260706 /nfs/dbraw/zinc/26/07/06/802260706.db2.gz ROWBXHBQBPPBQN-UHFFFAOYSA-N 1 2 274.324 0.808 20 30 CCEDLO COc1nc(NC[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001162682790 802387591 /nfs/dbraw/zinc/38/75/91/802387591.db2.gz HEFZRRXHPIORTN-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO COc1nc(NC[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001162682790 802387601 /nfs/dbraw/zinc/38/76/01/802387601.db2.gz HEFZRRXHPIORTN-NSHDSACASA-N 1 2 262.313 0.704 20 30 CCEDLO Cc1nnc(C[NH3+])n1-c1ccc2nc(C#N)cc-2[nH]1 ZINC001163351225 802544530 /nfs/dbraw/zinc/54/45/30/802544530.db2.gz MZOCZNSXQNUURW-UHFFFAOYSA-N 1 2 253.269 0.782 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001262036024 809168333 /nfs/dbraw/zinc/16/83/33/809168333.db2.gz CYVYOLCIVABJHE-QWRGUYRKSA-N 1 2 284.356 0.364 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265280784 809745649 /nfs/dbraw/zinc/74/56/49/809745649.db2.gz FYKLOQJYYPZENE-ZDUSSCGKSA-N 1 2 274.368 0.770 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265280784 809745651 /nfs/dbraw/zinc/74/56/51/809745651.db2.gz FYKLOQJYYPZENE-ZDUSSCGKSA-N 1 2 274.368 0.770 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)cc2OC)C[NH2+]1 ZINC001164302081 802713561 /nfs/dbraw/zinc/71/35/61/802713561.db2.gz MHLKNBVNZOFLDC-UWVGGRQHSA-N 1 2 276.296 0.277 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496601 802749664 /nfs/dbraw/zinc/74/96/64/802749664.db2.gz ZJSSJTDZKROIBW-AWEZNQCLSA-N 1 2 294.399 0.249 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164496601 802749666 /nfs/dbraw/zinc/74/96/66/802749666.db2.gz ZJSSJTDZKROIBW-AWEZNQCLSA-N 1 2 294.399 0.249 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCOC[C@H](O)C3)c12 ZINC001164512364 802754082 /nfs/dbraw/zinc/75/40/82/802754082.db2.gz YJNVLXZDEMRWIN-SNVBAGLBSA-N 1 2 258.281 0.632 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](CO)[C@H](O)C3)c12 ZINC001164546307 802762274 /nfs/dbraw/zinc/76/22/74/802762274.db2.gz ZVHYMKINDVNPEA-MWLCHTKSSA-N 1 2 258.281 0.224 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nccnc1Cl ZINC001164650777 802775038 /nfs/dbraw/zinc/77/50/38/802775038.db2.gz AJRKVSDIBXTKHM-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(Cn2ccccc2=O)cn1 ZINC001164660707 802776734 /nfs/dbraw/zinc/77/67/34/802776734.db2.gz GWLBVVHETGFPGQ-CQSZACIVSA-N 1 2 295.346 0.593 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083296026 811804654 /nfs/dbraw/zinc/80/46/54/811804654.db2.gz YUKPOHBTMCGLEU-CABCVRRESA-N 1 2 292.766 0.873 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083296026 811804663 /nfs/dbraw/zinc/80/46/63/811804663.db2.gz YUKPOHBTMCGLEU-CABCVRRESA-N 1 2 292.766 0.873 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276421286 803045670 /nfs/dbraw/zinc/04/56/70/803045670.db2.gz HZVIWOYZIXHJRJ-NSHDSACASA-N 1 2 294.399 0.499 20 30 CCEDLO CC1(C)CN(Cc2ccccc2C#N)CC[N@@H+]1CC(N)=O ZINC001204372187 803081791 /nfs/dbraw/zinc/08/17/91/803081791.db2.gz ZQBUUYXVQIYDSC-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO CC1(C)CN(Cc2ccccc2C#N)CC[N@H+]1CC(N)=O ZINC001204372187 803081795 /nfs/dbraw/zinc/08/17/95/803081795.db2.gz ZQBUUYXVQIYDSC-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CC(OC)OC)CC1 ZINC001207255509 803373792 /nfs/dbraw/zinc/37/37/92/803373792.db2.gz LCVWHAKCWITRKR-UHFFFAOYSA-N 1 2 256.302 0.384 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207685125 803437373 /nfs/dbraw/zinc/43/73/73/803437373.db2.gz XCVVLCPGOMKWQB-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO COc1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001168265495 814951535 /nfs/dbraw/zinc/95/15/35/814951535.db2.gz ZNQHEPHMFWXNEV-ZIAGYGMSSA-N 1 2 257.337 0.960 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@H](OC)C1 ZINC001213278390 803689151 /nfs/dbraw/zinc/68/91/51/803689151.db2.gz XNSYDOYCWFGKGM-QJPTWQEYSA-N 1 2 256.321 0.573 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@H](OC)C1 ZINC001213278390 803689154 /nfs/dbraw/zinc/68/91/54/803689154.db2.gz XNSYDOYCWFGKGM-QJPTWQEYSA-N 1 2 256.321 0.573 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@H](OC)C1 ZINC001213453999 803695097 /nfs/dbraw/zinc/69/50/97/803695097.db2.gz OVTMADNPHKGLMI-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@H](OC)C1 ZINC001213453999 803695099 /nfs/dbraw/zinc/69/50/99/803695099.db2.gz OVTMADNPHKGLMI-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001214331784 803734772 /nfs/dbraw/zinc/73/47/72/803734772.db2.gz RQLBFHGOVHUYPQ-ZYHUDNBSSA-N 1 2 294.355 0.517 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)SC)[C@H]2C1 ZINC001217660743 803899844 /nfs/dbraw/zinc/89/98/44/803899844.db2.gz ZBJOGLXJESHASS-RWMBFGLXSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)SC)[C@H]2C1 ZINC001217660743 803899853 /nfs/dbraw/zinc/89/98/53/803899853.db2.gz ZBJOGLXJESHASS-RWMBFGLXSA-N 1 2 282.409 0.673 20 30 CCEDLO N#Cc1[nH]cnc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001218594451 804026746 /nfs/dbraw/zinc/02/67/46/804026746.db2.gz JOVBEMKTYOXIBZ-NSHDSACASA-N 1 2 267.292 0.934 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001219171456 804224229 /nfs/dbraw/zinc/22/42/29/804224229.db2.gz GQSUMTWSJIUOBA-KGLIPLIRSA-N 1 2 282.384 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001219171456 804224234 /nfs/dbraw/zinc/22/42/34/804224234.db2.gz GQSUMTWSJIUOBA-KGLIPLIRSA-N 1 2 282.384 0.234 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001219363739 804286417 /nfs/dbraw/zinc/28/64/17/804286417.db2.gz IGZZKTIRWQUBQQ-UTUOFQBUSA-N 1 2 274.336 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001219363739 804286423 /nfs/dbraw/zinc/28/64/23/804286423.db2.gz IGZZKTIRWQUBQQ-UTUOFQBUSA-N 1 2 274.336 0.098 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C#N)c2ncccc12 ZINC001219465134 804322581 /nfs/dbraw/zinc/32/25/81/804322581.db2.gz LKJNGJMFVODMRP-NSHDSACASA-N 1 2 298.302 0.935 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)[C@@H](O)C1 ZINC001220079983 804496216 /nfs/dbraw/zinc/49/62/16/804496216.db2.gz IOKJDNHLISWTJP-VNHYZAJKSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)[C@@H](O)C1 ZINC001220079983 804496219 /nfs/dbraw/zinc/49/62/19/804496219.db2.gz IOKJDNHLISWTJP-VNHYZAJKSA-N 1 2 280.368 0.010 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220205581 804538181 /nfs/dbraw/zinc/53/81/81/804538181.db2.gz FSWBTDLFFNIQJM-KFWWJZLASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220205581 804538184 /nfs/dbraw/zinc/53/81/84/804538184.db2.gz FSWBTDLFFNIQJM-KFWWJZLASA-N 1 2 294.395 0.400 20 30 CCEDLO CCc1cnc(C[NH2+]CCN(CCO)C(=O)[C@H](C)C#N)o1 ZINC001272129992 815024221 /nfs/dbraw/zinc/02/42/21/815024221.db2.gz XMBYPKZSAFFQRZ-LLVKDONJSA-N 1 2 294.355 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCC)[C@@H](O)C1 ZINC001220631641 804639372 /nfs/dbraw/zinc/63/93/72/804639372.db2.gz PYTCFQAWKNTFPC-XQQFMLRXSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)[C@@H](O)C1 ZINC001220618367 804637845 /nfs/dbraw/zinc/63/78/45/804637845.db2.gz QGGSJBBXHYJHKH-OLZOCXBDSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)[C@@H](O)C1 ZINC001220618367 804637848 /nfs/dbraw/zinc/63/78/48/804637848.db2.gz QGGSJBBXHYJHKH-OLZOCXBDSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCC)[C@@H](O)C1 ZINC001220631641 804639369 /nfs/dbraw/zinc/63/93/69/804639369.db2.gz PYTCFQAWKNTFPC-XQQFMLRXSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCF)[C@@H]2C1 ZINC001221745609 804842005 /nfs/dbraw/zinc/84/20/05/804842005.db2.gz CIDAPMKONWMZPN-CHWSQXEVSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCF)[C@@H]2C1 ZINC001221745609 804842011 /nfs/dbraw/zinc/84/20/11/804842011.db2.gz CIDAPMKONWMZPN-CHWSQXEVSA-N 1 2 295.358 0.018 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001226589027 805252469 /nfs/dbraw/zinc/25/24/69/805252469.db2.gz GXPHCZDDGBCACS-UHFFFAOYSA-N 1 2 292.383 0.703 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)NO)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227014894 805308662 /nfs/dbraw/zinc/30/86/62/805308662.db2.gz JNVDWFBUIPEXSF-LSVRBPJHSA-N 1 2 290.319 0.797 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)NO)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227014894 805308674 /nfs/dbraw/zinc/30/86/74/805308674.db2.gz JNVDWFBUIPEXSF-LSVRBPJHSA-N 1 2 290.319 0.797 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228883170 805485221 /nfs/dbraw/zinc/48/52/21/805485221.db2.gz ULNLQBBOBDZNCO-PINQPDRWSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228883170 805485223 /nfs/dbraw/zinc/48/52/23/805485223.db2.gz ULNLQBBOBDZNCO-PINQPDRWSA-N 1 2 277.280 0.981 20 30 CCEDLO Cc1nnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C#N)c1C ZINC001229440071 805534642 /nfs/dbraw/zinc/53/46/42/805534642.db2.gz YOJPCVOEAJTNGT-VSSGSJIUSA-N 1 2 286.335 0.956 20 30 CCEDLO Cc1nnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C#N)c1C ZINC001229440071 805534646 /nfs/dbraw/zinc/53/46/46/805534646.db2.gz YOJPCVOEAJTNGT-VSSGSJIUSA-N 1 2 286.335 0.956 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@](C)(C#N)CC(C)C)C[NH2+]1 ZINC001246463459 807256767 /nfs/dbraw/zinc/25/67/67/807256767.db2.gz LUPOSJPYEUTINJ-GVXVVHGQSA-N 1 2 253.346 0.808 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278494246 807493908 /nfs/dbraw/zinc/49/39/08/807493908.db2.gz OBVSJQYBQUKESU-NWDGAFQWSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278494246 807493912 /nfs/dbraw/zinc/49/39/12/807493912.db2.gz OBVSJQYBQUKESU-NWDGAFQWSA-N 1 2 280.372 0.395 20 30 CCEDLO C#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC001251012569 807641531 /nfs/dbraw/zinc/64/15/31/807641531.db2.gz VPXADMDBZROIOB-AWEZNQCLSA-N 1 2 261.325 0.168 20 30 CCEDLO N#Cc1c(F)ccc(F)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251034562 807649060 /nfs/dbraw/zinc/64/90/60/807649060.db2.gz RSNONOICOPPBTH-SNVBAGLBSA-N 1 2 297.305 0.941 20 30 CCEDLO C#CCOC[C@@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001251823979 807711216 /nfs/dbraw/zinc/71/12/16/807711216.db2.gz JQIXOLAUZLLCFG-AWEZNQCLSA-N 1 2 291.351 0.341 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001251844394 807717024 /nfs/dbraw/zinc/71/70/24/807717024.db2.gz RGAKGKOYEFJYEW-ZDUSSCGKSA-N 1 2 293.367 0.246 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001251844394 807717029 /nfs/dbraw/zinc/71/70/29/807717029.db2.gz RGAKGKOYEFJYEW-ZDUSSCGKSA-N 1 2 293.367 0.246 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001251881244 807732194 /nfs/dbraw/zinc/73/21/94/807732194.db2.gz QDXZYNYUGUHPIC-CHWSQXEVSA-N 1 2 285.384 0.953 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001083488420 815157766 /nfs/dbraw/zinc/15/77/66/815157766.db2.gz IQVPGCHEUKTMBY-OLZOCXBDSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001083488420 815157768 /nfs/dbraw/zinc/15/77/68/815157768.db2.gz IQVPGCHEUKTMBY-OLZOCXBDSA-N 1 2 278.377 0.773 20 30 CCEDLO C=C[C@@](C)(O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252586169 807916126 /nfs/dbraw/zinc/91/61/26/807916126.db2.gz YGZGXEMSOHFBKP-GXTWGEPZSA-N 1 2 281.356 0.421 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001083499071 815169067 /nfs/dbraw/zinc/16/90/67/815169067.db2.gz FTGBMGGKXHMYOT-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001083499071 815169071 /nfs/dbraw/zinc/16/90/71/815169071.db2.gz FTGBMGGKXHMYOT-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)C=C ZINC001253575988 808083774 /nfs/dbraw/zinc/08/37/74/808083774.db2.gz HXQYOZDSHJUQBH-GXTWGEPZSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)C=C ZINC001253575988 808083782 /nfs/dbraw/zinc/08/37/82/808083782.db2.gz HXQYOZDSHJUQBH-GXTWGEPZSA-N 1 2 292.383 0.947 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001253578040 808085744 /nfs/dbraw/zinc/08/57/44/808085744.db2.gz UMUYLJDCVHWBFP-LBPRGKRZSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001253578040 808085752 /nfs/dbraw/zinc/08/57/52/808085752.db2.gz UMUYLJDCVHWBFP-LBPRGKRZSA-N 1 2 293.371 0.009 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782164 808235125 /nfs/dbraw/zinc/23/51/25/808235125.db2.gz RSVJIQICUSSHRH-KOLCDFICSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782164 808235131 /nfs/dbraw/zinc/23/51/31/808235131.db2.gz RSVJIQICUSSHRH-KOLCDFICSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278782164 808235137 /nfs/dbraw/zinc/23/51/37/808235137.db2.gz RSVJIQICUSSHRH-KOLCDFICSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278782164 808235142 /nfs/dbraw/zinc/23/51/42/808235142.db2.gz RSVJIQICUSSHRH-KOLCDFICSA-N 1 2 296.264 0.463 20 30 CCEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001255202650 808330600 /nfs/dbraw/zinc/33/06/00/808330600.db2.gz GPXWDPGEEGTPLH-DGAVXFQQSA-N 1 2 292.383 0.936 20 30 CCEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255597915 808412051 /nfs/dbraw/zinc/41/20/51/808412051.db2.gz LBVGNJVKUSODBV-NWDGAFQWSA-N 1 2 280.372 0.793 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ncccc2F)C1 ZINC001278899507 808441692 /nfs/dbraw/zinc/44/16/92/808441692.db2.gz FBGXOLPOIJSSGO-UHFFFAOYSA-N 1 2 293.342 0.502 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001278900376 808446094 /nfs/dbraw/zinc/44/60/94/808446094.db2.gz SHLXOCSPQMKIQJ-ZDUSSCGKSA-N 1 2 278.396 0.999 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001258285682 808669657 /nfs/dbraw/zinc/66/96/57/808669657.db2.gz WMYQHSCZZIJYKZ-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C=CCCCC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001261501567 808999599 /nfs/dbraw/zinc/99/95/99/808999599.db2.gz FTEAGNBXUWRBLN-LLVKDONJSA-N 1 2 254.330 0.706 20 30 CCEDLO C#CC1(O)CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001262365409 809292019 /nfs/dbraw/zinc/29/20/19/809292019.db2.gz BCCRVYPVZBMQHU-GFCCVEGCSA-N 1 2 286.335 0.050 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001263816721 809577110 /nfs/dbraw/zinc/57/71/10/809577110.db2.gz HIRDUYDDEAZENK-DZGCQCFKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001263816721 809577114 /nfs/dbraw/zinc/57/71/14/809577114.db2.gz HIRDUYDDEAZENK-DZGCQCFKSA-N 1 2 264.369 0.969 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001265256159 809731634 /nfs/dbraw/zinc/73/16/34/809731634.db2.gz NVQMAKOXQKDNGW-CQSZACIVSA-N 1 2 276.384 0.600 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001265284047 809747380 /nfs/dbraw/zinc/74/73/80/809747380.db2.gz LWRQQMAHYGDCJC-CYBMUJFWSA-N 1 2 290.367 0.151 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001265284047 809747382 /nfs/dbraw/zinc/74/73/82/809747382.db2.gz LWRQQMAHYGDCJC-CYBMUJFWSA-N 1 2 290.367 0.151 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001265296597 809751093 /nfs/dbraw/zinc/75/10/93/809751093.db2.gz AEXQGXWYJZBFSL-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001265296597 809751094 /nfs/dbraw/zinc/75/10/94/809751094.db2.gz AEXQGXWYJZBFSL-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001265792772 809854425 /nfs/dbraw/zinc/85/44/25/809854425.db2.gz UXHVSPLJIPMADO-QWRGUYRKSA-N 1 2 261.329 0.063 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076653705 815331152 /nfs/dbraw/zinc/33/11/52/815331152.db2.gz YLNGCRWECPGDAC-ZIAGYGMSSA-N 1 2 273.336 0.630 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076653705 815331158 /nfs/dbraw/zinc/33/11/58/815331158.db2.gz YLNGCRWECPGDAC-ZIAGYGMSSA-N 1 2 273.336 0.630 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001076912883 815409302 /nfs/dbraw/zinc/40/93/02/815409302.db2.gz AUWZVHCOXHGPSS-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001076912883 815409308 /nfs/dbraw/zinc/40/93/08/815409308.db2.gz AUWZVHCOXHGPSS-CHWSQXEVSA-N 1 2 277.299 0.019 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC2(C)C)[C@H](OC)C1 ZINC001212126857 815435531 /nfs/dbraw/zinc/43/55/31/815435531.db2.gz AVTOXUVCASBYQC-BFHYXJOUSA-N 1 2 294.395 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC2(C)C)[C@H](OC)C1 ZINC001212126857 815435538 /nfs/dbraw/zinc/43/55/38/815435538.db2.gz AVTOXUVCASBYQC-BFHYXJOUSA-N 1 2 294.395 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001077109152 815445616 /nfs/dbraw/zinc/44/56/16/815445616.db2.gz LAOTXBNRLXDRPE-VXGBXAGGSA-N 1 2 295.289 0.427 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001077109152 815445619 /nfs/dbraw/zinc/44/56/19/815445619.db2.gz LAOTXBNRLXDRPE-VXGBXAGGSA-N 1 2 295.289 0.427 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125818818 811453295 /nfs/dbraw/zinc/45/32/95/811453295.db2.gz MUKFLXDUSGQCNC-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCOC)CC1 ZINC001267571261 811460307 /nfs/dbraw/zinc/46/03/07/811460307.db2.gz KHDBGTQTSUHWOJ-UHFFFAOYSA-N 1 2 269.389 0.285 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1(CCF)CC1 ZINC001267573055 811464774 /nfs/dbraw/zinc/46/47/74/811464774.db2.gz HGICUNKSVHAKGE-UHFFFAOYSA-N 1 2 296.390 0.726 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc[nH]2)CC1 ZINC001267604799 811536392 /nfs/dbraw/zinc/53/63/92/811536392.db2.gz FMSQIRZRGZTMTL-UHFFFAOYSA-N 1 2 274.368 0.338 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC2(F)F)CC1 ZINC001267607569 811554186 /nfs/dbraw/zinc/55/41/86/811554186.db2.gz MZSAVTDFBNJRTD-LBPRGKRZSA-N 1 2 287.354 0.904 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001038330830 811597666 /nfs/dbraw/zinc/59/76/66/811597666.db2.gz ZVIBZMVWAPFEMV-LBPRGKRZSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001038330830 811597672 /nfs/dbraw/zinc/59/76/72/811597672.db2.gz ZVIBZMVWAPFEMV-LBPRGKRZSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CCN1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267701019 811666378 /nfs/dbraw/zinc/66/63/78/811666378.db2.gz LZGHUHWRIYVLAS-MRXNPFEDSA-N 1 2 285.391 0.971 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219589246 811686967 /nfs/dbraw/zinc/68/69/67/811686967.db2.gz VETVFRZCXWLWQR-FVLQNALFSA-N 1 2 270.760 0.560 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219589246 811686977 /nfs/dbraw/zinc/68/69/77/811686977.db2.gz VETVFRZCXWLWQR-FVLQNALFSA-N 1 2 270.760 0.560 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001077216488 815462718 /nfs/dbraw/zinc/46/27/18/815462718.db2.gz FZACBNVNAOPINV-RRFJBIMHSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001077216488 815462723 /nfs/dbraw/zinc/46/27/23/815462723.db2.gz FZACBNVNAOPINV-RRFJBIMHSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038361436 811744012 /nfs/dbraw/zinc/74/40/12/811744012.db2.gz XWXSQMVMGFRLHU-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038361436 811744016 /nfs/dbraw/zinc/74/40/16/811744016.db2.gz XWXSQMVMGFRLHU-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 ZINC001104954852 811778381 /nfs/dbraw/zinc/77/83/81/811778381.db2.gz WKFCBPFOQMGNDF-DGCLKSJQSA-N 1 2 289.383 0.858 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083294859 811778688 /nfs/dbraw/zinc/77/86/88/811778688.db2.gz XVDCAFMUHSZPLH-KGLIPLIRSA-N 1 2 291.326 0.769 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083294859 811778695 /nfs/dbraw/zinc/77/86/95/811778695.db2.gz XVDCAFMUHSZPLH-KGLIPLIRSA-N 1 2 291.326 0.769 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001077300619 815477429 /nfs/dbraw/zinc/47/74/29/815477429.db2.gz GYIXGCMTTRNLAT-HUUCEWRRSA-N 1 2 290.338 0.796 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001077300619 815477430 /nfs/dbraw/zinc/47/74/30/815477430.db2.gz GYIXGCMTTRNLAT-HUUCEWRRSA-N 1 2 290.338 0.796 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@@H](O)C1 ZINC001083571271 815477613 /nfs/dbraw/zinc/47/76/13/815477613.db2.gz OVAJILINXOGUOK-ZACQAIPSSA-N 1 2 298.386 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@@H](O)C1 ZINC001083571271 815477614 /nfs/dbraw/zinc/47/76/14/815477614.db2.gz OVAJILINXOGUOK-ZACQAIPSSA-N 1 2 298.386 0.901 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001077313082 815478831 /nfs/dbraw/zinc/47/88/31/815478831.db2.gz HHCBZILMSABJOF-HZPDHXFCSA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001077313082 815478837 /nfs/dbraw/zinc/47/88/37/815478837.db2.gz HHCBZILMSABJOF-HZPDHXFCSA-N 1 2 299.374 0.757 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)CC)C2)nn1 ZINC001105227822 811867006 /nfs/dbraw/zinc/86/70/06/811867006.db2.gz ZUEQXAHEGJDJRH-LBPRGKRZSA-N 1 2 289.383 0.820 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267913801 811867883 /nfs/dbraw/zinc/86/78/83/811867883.db2.gz ANPADDXTOPBJBX-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267913801 811867886 /nfs/dbraw/zinc/86/78/86/811867886.db2.gz ANPADDXTOPBJBX-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001268017653 811959218 /nfs/dbraw/zinc/95/92/18/811959218.db2.gz LSELGXKPMZLULI-CYBMUJFWSA-N 1 2 293.367 0.648 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001268017653 811959222 /nfs/dbraw/zinc/95/92/22/811959222.db2.gz LSELGXKPMZLULI-CYBMUJFWSA-N 1 2 293.367 0.648 20 30 CCEDLO CCNC(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000722158458 811959972 /nfs/dbraw/zinc/95/99/72/811959972.db2.gz DOZJNLQHEXRXCH-NSHDSACASA-N 1 2 254.334 0.262 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038757787 812051114 /nfs/dbraw/zinc/05/11/14/812051114.db2.gz OINIMCPTBGQVRK-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038757787 812051124 /nfs/dbraw/zinc/05/11/24/812051124.db2.gz OINIMCPTBGQVRK-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000692891108 812232307 /nfs/dbraw/zinc/23/23/07/812232307.db2.gz HLQBMHDSEKMEGI-CQSZACIVSA-N 1 2 258.321 0.637 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000692891108 812232313 /nfs/dbraw/zinc/23/23/13/812232313.db2.gz HLQBMHDSEKMEGI-CQSZACIVSA-N 1 2 258.321 0.637 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001028089472 812267491 /nfs/dbraw/zinc/26/74/91/812267491.db2.gz HVARNTHAYZGSSC-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001028089472 812267496 /nfs/dbraw/zinc/26/74/96/812267496.db2.gz HVARNTHAYZGSSC-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001268157904 812315585 /nfs/dbraw/zinc/31/55/85/812315585.db2.gz FPUAMCXCYMSCAI-STQMWFEESA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001268157904 812315591 /nfs/dbraw/zinc/31/55/91/812315591.db2.gz FPUAMCXCYMSCAI-STQMWFEESA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001126333739 812365697 /nfs/dbraw/zinc/36/56/97/812365697.db2.gz NHXDTTDNLBJGTJ-UHFFFAOYSA-N 1 2 279.344 0.145 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001268223962 812379656 /nfs/dbraw/zinc/37/96/56/812379656.db2.gz DZUVKAJMMVTSNS-KGLIPLIRSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001268223962 812379667 /nfs/dbraw/zinc/37/96/67/812379667.db2.gz DZUVKAJMMVTSNS-KGLIPLIRSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccsc1 ZINC001268228892 812383999 /nfs/dbraw/zinc/38/39/99/812383999.db2.gz BHTORESTLRPQBH-UHFFFAOYSA-N 1 2 293.392 0.501 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccsc1 ZINC001268228892 812384008 /nfs/dbraw/zinc/38/40/08/812384008.db2.gz BHTORESTLRPQBH-UHFFFAOYSA-N 1 2 293.392 0.501 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001268234092 812393800 /nfs/dbraw/zinc/39/38/00/812393800.db2.gz COOVRABLRQZJRV-UHFFFAOYSA-N 1 2 291.399 0.899 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001268234092 812393807 /nfs/dbraw/zinc/39/38/07/812393807.db2.gz COOVRABLRQZJRV-UHFFFAOYSA-N 1 2 291.399 0.899 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268323338 812486358 /nfs/dbraw/zinc/48/63/58/812486358.db2.gz MTBINXDLKKXTLO-FZMZJTMJSA-N 1 2 296.371 0.547 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001083611469 815539310 /nfs/dbraw/zinc/53/93/10/815539310.db2.gz WKRUBNGVZCGLBB-CABCVRRESA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001083611469 815539316 /nfs/dbraw/zinc/53/93/16/815539316.db2.gz WKRUBNGVZCGLBB-CABCVRRESA-N 1 2 295.342 0.643 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(OCC)s1 ZINC001126356008 812621695 /nfs/dbraw/zinc/62/16/95/812621695.db2.gz KBDOOMDPEDOUIP-UHFFFAOYSA-N 1 2 296.396 0.946 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](O)C1 ZINC001083612727 815541987 /nfs/dbraw/zinc/54/19/87/815541987.db2.gz KGSXGJPACPBAFW-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](O)C1 ZINC001083612727 815541993 /nfs/dbraw/zinc/54/19/93/815541993.db2.gz KGSXGJPACPBAFW-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C[C@H](O)C[NH+]1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001268482902 812655411 /nfs/dbraw/zinc/65/54/11/812655411.db2.gz AIIFIUAYXYLINE-ZDUSSCGKSA-N 1 2 272.348 0.609 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2nccs2)C1 ZINC001268485671 812662339 /nfs/dbraw/zinc/66/23/39/812662339.db2.gz WDLMCHXVTZUTFY-UHFFFAOYSA-N 1 2 263.366 0.899 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001126377557 812808584 /nfs/dbraw/zinc/80/85/84/812808584.db2.gz CCLASIGWWDZQHJ-NOZJJQNGSA-N 1 2 282.344 0.472 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001028536041 812824675 /nfs/dbraw/zinc/82/46/75/812824675.db2.gz KPJPFTOOGOONFI-CHWSQXEVSA-N 1 2 286.379 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001028536041 812824684 /nfs/dbraw/zinc/82/46/84/812824684.db2.gz KPJPFTOOGOONFI-CHWSQXEVSA-N 1 2 286.379 0.901 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001127023437 815559237 /nfs/dbraw/zinc/55/92/37/815559237.db2.gz LUPAACFKBKYRIT-NSHDSACASA-N 1 2 294.355 0.439 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001126384542 812846890 /nfs/dbraw/zinc/84/68/90/812846890.db2.gz OUCDBTYHDKLQSC-IINYFYTJSA-N 1 2 296.371 0.726 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)c1 ZINC001083390440 812932344 /nfs/dbraw/zinc/93/23/44/812932344.db2.gz QKJJHLSTJAXFNY-VHYYUZIWSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)c1 ZINC001083390440 812932348 /nfs/dbraw/zinc/93/23/48/812932348.db2.gz QKJJHLSTJAXFNY-VHYYUZIWSA-N 1 2 294.742 0.414 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268726362 813042746 /nfs/dbraw/zinc/04/27/46/813042746.db2.gz PONQMBZXLADJNJ-MNOVXSKESA-N 1 2 263.345 0.516 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268726362 813042751 /nfs/dbraw/zinc/04/27/51/813042751.db2.gz PONQMBZXLADJNJ-MNOVXSKESA-N 1 2 263.345 0.516 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001268849474 813112272 /nfs/dbraw/zinc/11/22/72/813112272.db2.gz BBYAIOXQDMPMLW-UHFFFAOYSA-N 1 2 295.717 0.168 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N1CCC1 ZINC001268929964 813148971 /nfs/dbraw/zinc/14/89/71/813148971.db2.gz RJWMLNTWAHFQNR-STQMWFEESA-N 1 2 277.368 0.470 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N1CCC1 ZINC001268929964 813148975 /nfs/dbraw/zinc/14/89/75/813148975.db2.gz RJWMLNTWAHFQNR-STQMWFEESA-N 1 2 277.368 0.470 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001127046595 815601955 /nfs/dbraw/zinc/60/19/55/815601955.db2.gz SWIGQDLSJGZDTH-LLVKDONJSA-N 1 2 294.355 0.437 20 30 CCEDLO C[NH+]1CC2(CN(C(=O)c3[nH]nc4ccc(C#N)cc43)C2)C1 ZINC001269184621 813253067 /nfs/dbraw/zinc/25/30/67/813253067.db2.gz BCNKSFCTWZFING-UHFFFAOYSA-N 1 2 281.319 0.822 20 30 CCEDLO CCO[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC)C1CC1 ZINC001269235362 813282305 /nfs/dbraw/zinc/28/23/05/813282305.db2.gz KDRKONLABMZZAY-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO CCO[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)C1CC1 ZINC001269235362 813282309 /nfs/dbraw/zinc/28/23/09/813282309.db2.gz KDRKONLABMZZAY-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001269342610 813333151 /nfs/dbraw/zinc/33/31/51/813333151.db2.gz AMGKSXSNOWLEJG-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001269342610 813333156 /nfs/dbraw/zinc/33/31/56/813333156.db2.gz AMGKSXSNOWLEJG-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2c(C)ncn2C)C1 ZINC001269805463 813514403 /nfs/dbraw/zinc/51/44/03/813514403.db2.gz CRJQSXPSNWDKAR-UHFFFAOYSA-N 1 2 292.383 0.687 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](OC)C2CCC2)C1 ZINC001269825580 813521999 /nfs/dbraw/zinc/52/19/99/813521999.db2.gz IZSODUWPXCHHEE-AWEZNQCLSA-N 1 2 264.369 0.967 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001059283855 814064353 /nfs/dbraw/zinc/06/43/53/814064353.db2.gz ONTNEMZYKVZJPR-HAQNSBGRSA-N 1 2 296.334 0.978 20 30 CCEDLO COC(=O)c1cnc(C[NH+]2CCC(C#N)CC2)cn1 ZINC001141819556 814250862 /nfs/dbraw/zinc/25/08/62/814250862.db2.gz ACKNBCIRSZLTJM-UHFFFAOYSA-N 1 2 260.297 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001271303860 814372240 /nfs/dbraw/zinc/37/22/40/814372240.db2.gz NWZSDCOVUHEMJT-SNVBAGLBSA-N 1 2 274.311 0.771 20 30 CCEDLO C=C(C)C(=O)OCCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001168071180 814542178 /nfs/dbraw/zinc/54/21/78/814542178.db2.gz QWEGFIFIWBWBJW-UHFFFAOYSA-N 1 2 289.295 0.540 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)/C=C/C(C)(C)C ZINC001271976990 814660838 /nfs/dbraw/zinc/66/08/38/814660838.db2.gz FYDQUWILVXVXPH-CMDGGOBGSA-N 1 2 293.411 0.728 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)/C=C/C(C)(C)C ZINC001271976990 814660841 /nfs/dbraw/zinc/66/08/41/814660841.db2.gz FYDQUWILVXVXPH-CMDGGOBGSA-N 1 2 293.411 0.728 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 ZINC001211909471 814732582 /nfs/dbraw/zinc/73/25/82/814732582.db2.gz WVSHUAPEEABSEI-HBNTYKKESA-N 1 2 256.371 0.187 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 ZINC001211909471 814732578 /nfs/dbraw/zinc/73/25/78/814732578.db2.gz WVSHUAPEEABSEI-HBNTYKKESA-N 1 2 256.371 0.187 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](O)C1 ZINC001083645526 815593175 /nfs/dbraw/zinc/59/31/75/815593175.db2.gz FIYOKMBEHABQFX-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](O)C1 ZINC001083645526 815593180 /nfs/dbraw/zinc/59/31/80/815593180.db2.gz FIYOKMBEHABQFX-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001030215115 815897878 /nfs/dbraw/zinc/89/78/78/815897878.db2.gz VGSJALSMYQXMRK-SNVBAGLBSA-N 1 2 252.314 0.316 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(O)CC2)C1 ZINC001030263330 815940047 /nfs/dbraw/zinc/94/00/47/815940047.db2.gz KIOIDMFIEDFMQZ-UHFFFAOYSA-N 1 2 250.342 0.361 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001030361741 815993828 /nfs/dbraw/zinc/99/38/28/815993828.db2.gz ZWEOWOCLRRJPOW-UHFFFAOYSA-N 1 2 271.324 0.948 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2C(F)F)C1 ZINC001030371108 815999259 /nfs/dbraw/zinc/99/92/59/815999259.db2.gz RSVOTPCBMDRATP-UHFFFAOYSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001030577402 816119495 /nfs/dbraw/zinc/11/94/95/816119495.db2.gz CAAMLZSEFYKIRL-UHFFFAOYSA-N 1 2 288.351 0.719 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001030588370 816128437 /nfs/dbraw/zinc/12/84/37/816128437.db2.gz SWAFIOPFKHCYJW-GHMZBOCLSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001030698546 816232182 /nfs/dbraw/zinc/23/21/82/816232182.db2.gz TVSCMLUTNOQVQM-LBPRGKRZSA-N 1 2 287.367 0.054 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001030781494 816287236 /nfs/dbraw/zinc/28/72/36/816287236.db2.gz YLRLBOKSJNIJLV-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n2CCCC3)C1 ZINC001030832866 816327041 /nfs/dbraw/zinc/32/70/41/816327041.db2.gz LDFWDDRWUSVHNG-UHFFFAOYSA-N 1 2 272.352 0.657 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001030859309 816355578 /nfs/dbraw/zinc/35/55/78/816355578.db2.gz FETFKEUKMPOCHH-GFCCVEGCSA-N 1 2 289.383 0.991 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccnc(OC)c2)C1 ZINC001030961877 816510145 /nfs/dbraw/zinc/51/01/45/816510145.db2.gz FHLIRLJOMITDGX-UHFFFAOYSA-N 1 2 273.336 0.456 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCCC(=O)OC)C2 ZINC001272498117 816511983 /nfs/dbraw/zinc/51/19/83/816511983.db2.gz IRVFWVLPFBHMOG-UHFFFAOYSA-N 1 2 296.367 0.429 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031017153 816567749 /nfs/dbraw/zinc/56/77/49/816567749.db2.gz NZBBWFHKEGUDOR-UHFFFAOYSA-N 1 2 254.721 0.505 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)[C@@H](O)C1 ZINC001083718465 816632633 /nfs/dbraw/zinc/63/26/33/816632633.db2.gz RUWJQUVPADWGKO-KFWWJZLASA-N 1 2 299.374 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)[C@@H](O)C1 ZINC001083718465 816632634 /nfs/dbraw/zinc/63/26/34/816632634.db2.gz RUWJQUVPADWGKO-KFWWJZLASA-N 1 2 299.374 0.296 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031088332 816634955 /nfs/dbraw/zinc/63/49/55/816634955.db2.gz SNENOVKUCMFXJV-DRZSPHRISA-N 1 2 268.357 0.149 20 30 CCEDLO C[C@H](CCNc1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598913 816820756 /nfs/dbraw/zinc/82/07/56/816820756.db2.gz TVMWILYLDBUIEF-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001031233894 816863104 /nfs/dbraw/zinc/86/31/04/816863104.db2.gz SBJYSYYCYCXKBM-LBPRGKRZSA-N 1 2 280.372 0.296 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3ccccc32)[C@@H](O)C1 ZINC001083735002 816873409 /nfs/dbraw/zinc/87/34/09/816873409.db2.gz GNDXLRGECZLDOS-CABCVRRESA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3ccccc32)[C@@H](O)C1 ZINC001083735002 816873413 /nfs/dbraw/zinc/87/34/13/816873413.db2.gz GNDXLRGECZLDOS-CABCVRRESA-N 1 2 295.342 0.643 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001031248460 816886195 /nfs/dbraw/zinc/88/61/95/816886195.db2.gz KCHHMSXEISYAOQ-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001031352321 816996471 /nfs/dbraw/zinc/99/64/71/816996471.db2.gz DVACMIUOVHHAON-UHFFFAOYSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC001031379620 817012875 /nfs/dbraw/zinc/01/28/75/817012875.db2.gz FDCQJTUUSGKDHD-UHFFFAOYSA-N 1 2 261.325 0.658 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001031471367 817068142 /nfs/dbraw/zinc/06/81/42/817068142.db2.gz NVEYTYIRSGZAKF-UHFFFAOYSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H](O)C1 ZINC001083760058 817196921 /nfs/dbraw/zinc/19/69/21/817196921.db2.gz BLJGQTRNOJTYDB-ZJUUUORDSA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H](O)C1 ZINC001083760058 817196924 /nfs/dbraw/zinc/19/69/24/817196924.db2.gz BLJGQTRNOJTYDB-ZJUUUORDSA-N 1 2 267.716 0.076 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001127604725 817333918 /nfs/dbraw/zinc/33/39/18/817333918.db2.gz KTHIAZDTZVMUFH-NEPJUHHUSA-N 1 2 296.396 0.725 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038591901 817383816 /nfs/dbraw/zinc/38/38/16/817383816.db2.gz HVFPFPUIXSRPHB-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038591901 817383827 /nfs/dbraw/zinc/38/38/27/817383827.db2.gz HVFPFPUIXSRPHB-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001077571757 817442469 /nfs/dbraw/zinc/44/24/69/817442469.db2.gz UKVBHYLPNQYIAG-CHWSQXEVSA-N 1 2 274.320 0.565 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001077571757 817442471 /nfs/dbraw/zinc/44/24/71/817442471.db2.gz UKVBHYLPNQYIAG-CHWSQXEVSA-N 1 2 274.320 0.565 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032047620 817577789 /nfs/dbraw/zinc/57/77/89/817577789.db2.gz JXGBSASKRFUUQZ-STQMWFEESA-N 1 2 270.348 0.985 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001038075322 817581546 /nfs/dbraw/zinc/58/15/46/817581546.db2.gz VBTAVFLTRGGMHB-GFCCVEGCSA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001038075322 817581550 /nfs/dbraw/zinc/58/15/50/817581550.db2.gz VBTAVFLTRGGMHB-GFCCVEGCSA-N 1 2 260.341 0.800 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075563 817606802 /nfs/dbraw/zinc/60/68/02/817606802.db2.gz OVRIHMPWXIIEGG-UHFFFAOYSA-N 1 2 296.758 0.528 20 30 CCEDLO CCCCc1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124888488 817615836 /nfs/dbraw/zinc/61/58/36/817615836.db2.gz KXGRYRIQODEGBK-JTQLQIEISA-N 1 2 279.344 0.778 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124909029 817631722 /nfs/dbraw/zinc/63/17/22/817631722.db2.gz XZZVNBQARRZWGS-DTWKUNHWSA-N 1 2 265.317 0.558 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001032155296 817669906 /nfs/dbraw/zinc/66/99/06/817669906.db2.gz BCGDYLNQXZNBKF-ZDUSSCGKSA-N 1 2 299.802 0.655 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001032155294 817670233 /nfs/dbraw/zinc/67/02/33/817670233.db2.gz BCGDYLNQXZNBKF-CYBMUJFWSA-N 1 2 299.802 0.655 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cccn1 ZINC001032283689 817779772 /nfs/dbraw/zinc/77/97/72/817779772.db2.gz OOAMIQMWRQMMBM-STQMWFEESA-N 1 2 258.325 0.192 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cccn1 ZINC001032283689 817779778 /nfs/dbraw/zinc/77/97/78/817779778.db2.gz OOAMIQMWRQMMBM-STQMWFEESA-N 1 2 258.325 0.192 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC001047593480 817789083 /nfs/dbraw/zinc/78/90/83/817789083.db2.gz GELCWXYAYZZXLS-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC001047593480 817789087 /nfs/dbraw/zinc/78/90/87/817789087.db2.gz GELCWXYAYZZXLS-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OC)nn2)C1 ZINC001107139619 817790546 /nfs/dbraw/zinc/79/05/46/817790546.db2.gz QWCSOSMLKVJKBX-LLVKDONJSA-N 1 2 293.371 0.362 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCOCC1 ZINC001032325662 817872494 /nfs/dbraw/zinc/87/24/94/817872494.db2.gz PEFPPBHGRUNZKM-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCOCC1 ZINC001032325662 817872501 /nfs/dbraw/zinc/87/25/01/817872501.db2.gz PEFPPBHGRUNZKM-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2CC)C1 ZINC001077635904 817896309 /nfs/dbraw/zinc/89/63/09/817896309.db2.gz VLUAEVXTRMRXPX-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2CC)C1 ZINC001077635904 817896313 /nfs/dbraw/zinc/89/63/13/817896313.db2.gz VLUAEVXTRMRXPX-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719162 817964025 /nfs/dbraw/zinc/96/40/25/817964025.db2.gz XVRYDJAZZGKCFW-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719162 817964033 /nfs/dbraw/zinc/96/40/33/817964033.db2.gz XVRYDJAZZGKCFW-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2C)C1 ZINC001107739541 817979119 /nfs/dbraw/zinc/97/91/19/817979119.db2.gz NGHVGLQLDMVTEV-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2C)C1 ZINC001107739541 817979124 /nfs/dbraw/zinc/97/91/24/817979124.db2.gz NGHVGLQLDMVTEV-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCOCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107811247 818026992 /nfs/dbraw/zinc/02/69/92/818026992.db2.gz KOBFDQNINURQAW-CQSZACIVSA-N 1 2 268.357 0.582 20 30 CCEDLO C=CCOCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107811247 818026996 /nfs/dbraw/zinc/02/69/96/818026996.db2.gz KOBFDQNINURQAW-CQSZACIVSA-N 1 2 268.357 0.582 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761302 818050379 /nfs/dbraw/zinc/05/03/79/818050379.db2.gz KBSFMEUDROYJSY-WDEREUQCSA-N 1 2 273.340 0.493 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(CC)nc1C ZINC001032818107 818062144 /nfs/dbraw/zinc/06/21/44/818062144.db2.gz MAEREIPEVYHGNI-RYUDHWBXSA-N 1 2 275.356 0.691 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(CC)nc1C ZINC001032818107 818062153 /nfs/dbraw/zinc/06/21/53/818062153.db2.gz MAEREIPEVYHGNI-RYUDHWBXSA-N 1 2 275.356 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnnc2C)C1 ZINC001108051704 818159661 /nfs/dbraw/zinc/15/96/61/818159661.db2.gz NAQHHAFVGUYNFY-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnnc2C)C1 ZINC001108051704 818159671 /nfs/dbraw/zinc/15/96/71/818159671.db2.gz NAQHHAFVGUYNFY-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001117288371 818242953 /nfs/dbraw/zinc/24/29/53/818242953.db2.gz LKDNGDCBGWRMFG-MGPQQGTHSA-N 1 2 297.399 0.692 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090014486 818272525 /nfs/dbraw/zinc/27/25/25/818272525.db2.gz RXWMTPDDJUUWNZ-CHWSQXEVSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090014486 818272532 /nfs/dbraw/zinc/27/25/32/818272532.db2.gz RXWMTPDDJUUWNZ-CHWSQXEVSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029785 818292660 /nfs/dbraw/zinc/29/26/60/818292660.db2.gz GYNRYORAFIXSIG-JQWIXIFHSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 ZINC001090029785 818292669 /nfs/dbraw/zinc/29/26/69/818292669.db2.gz GYNRYORAFIXSIG-JQWIXIFHSA-N 1 2 299.758 0.901 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001044328475 818379139 /nfs/dbraw/zinc/37/91/39/818379139.db2.gz GMBATSGRNHDCBI-LBPRGKRZSA-N 1 2 289.383 0.478 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001044397014 818457570 /nfs/dbraw/zinc/45/75/70/818457570.db2.gz KPKNBQISRGTLDD-LLVKDONJSA-N 1 2 262.357 0.852 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1nc(C)no1)OCC ZINC001128529099 818609524 /nfs/dbraw/zinc/60/95/24/818609524.db2.gz YFZIHAJHIFKCIU-LBPRGKRZSA-N 1 2 296.371 0.955 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218480 818658830 /nfs/dbraw/zinc/65/88/30/818658830.db2.gz YHNQEMYUFRGKOW-SECBINFHSA-N 1 2 269.736 0.704 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218480 818658834 /nfs/dbraw/zinc/65/88/34/818658834.db2.gz YHNQEMYUFRGKOW-SECBINFHSA-N 1 2 269.736 0.704 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C\CC)[C@@H](n2ccnn2)C1 ZINC001128785982 819010447 /nfs/dbraw/zinc/01/04/47/819010447.db2.gz UBAWSBJWPIXXDJ-QQKWEAIHSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C\CC)[C@@H](n2ccnn2)C1 ZINC001128785982 819010450 /nfs/dbraw/zinc/01/04/50/819010450.db2.gz UBAWSBJWPIXXDJ-QQKWEAIHSA-N 1 2 287.367 0.609 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035291664 819438089 /nfs/dbraw/zinc/43/80/89/819438089.db2.gz CELXEQHCFAWZEP-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035291664 819438094 /nfs/dbraw/zinc/43/80/94/819438094.db2.gz CELXEQHCFAWZEP-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001035394620 819505488 /nfs/dbraw/zinc/50/54/88/819505488.db2.gz MPEZLVMLDYGZRL-CYBMUJFWSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001035394620 819505498 /nfs/dbraw/zinc/50/54/98/819505498.db2.gz MPEZLVMLDYGZRL-CYBMUJFWSA-N 1 2 290.367 0.446 20 30 CCEDLO C#CCN1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001035448772 819527321 /nfs/dbraw/zinc/52/73/21/819527321.db2.gz QRHFUWXJUMPNGU-ZDUSSCGKSA-N 1 2 298.346 0.398 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001035478695 819530526 /nfs/dbraw/zinc/53/05/26/819530526.db2.gz PQETVBRIEQNUOJ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001035478695 819530529 /nfs/dbraw/zinc/53/05/29/819530529.db2.gz PQETVBRIEQNUOJ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035477334 819531702 /nfs/dbraw/zinc/53/17/02/819531702.db2.gz FHVNXRMSFJFBOA-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035477334 819531706 /nfs/dbraw/zinc/53/17/06/819531706.db2.gz FHVNXRMSFJFBOA-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035460486 819534841 /nfs/dbraw/zinc/53/48/41/819534841.db2.gz JLVAMZIZPGTQQZ-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001035460486 819534849 /nfs/dbraw/zinc/53/48/49/819534849.db2.gz JLVAMZIZPGTQQZ-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035470083 819538716 /nfs/dbraw/zinc/53/87/16/819538716.db2.gz OMOZHIUFUJWXJB-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035470083 819538723 /nfs/dbraw/zinc/53/87/23/819538723.db2.gz OMOZHIUFUJWXJB-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C#C)c2)C1 ZINC001035506924 819544325 /nfs/dbraw/zinc/54/43/25/819544325.db2.gz ZLJIASDDLGWMEX-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C#C)c2)C1 ZINC001035506924 819544329 /nfs/dbraw/zinc/54/43/29/819544329.db2.gz ZLJIASDDLGWMEX-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001035509734 819545005 /nfs/dbraw/zinc/54/50/05/819545005.db2.gz CVRAYKGMVAWBRW-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001035509734 819545008 /nfs/dbraw/zinc/54/50/08/819545008.db2.gz CVRAYKGMVAWBRW-STQMWFEESA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001035522967 819555312 /nfs/dbraw/zinc/55/53/12/819555312.db2.gz MTSRGKSNIZEOFY-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001035522967 819555320 /nfs/dbraw/zinc/55/53/20/819555320.db2.gz MTSRGKSNIZEOFY-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001035554614 819567480 /nfs/dbraw/zinc/56/74/80/819567480.db2.gz XLAHGTUMYUEYDB-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001035554614 819567483 /nfs/dbraw/zinc/56/74/83/819567483.db2.gz XLAHGTUMYUEYDB-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001036193243 819702984 /nfs/dbraw/zinc/70/29/84/819702984.db2.gz MKRPYOBOBAHNIB-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001080068688 820511692 /nfs/dbraw/zinc/51/16/92/820511692.db2.gz FRCCXVTWNAUYEL-MWLCHTKSSA-N 1 2 278.381 0.784 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001080068688 820511696 /nfs/dbraw/zinc/51/16/96/820511696.db2.gz FRCCXVTWNAUYEL-MWLCHTKSSA-N 1 2 278.381 0.784 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001080197858 820530872 /nfs/dbraw/zinc/53/08/72/820530872.db2.gz PNYLXDRZYQHMEX-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001080197858 820530880 /nfs/dbraw/zinc/53/08/80/820530880.db2.gz PNYLXDRZYQHMEX-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001081277609 820718470 /nfs/dbraw/zinc/71/84/70/820718470.db2.gz FSFHUEWNUZTINN-ZIAGYGMSSA-N 1 2 273.336 0.534 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001081277609 820718476 /nfs/dbraw/zinc/71/84/76/820718476.db2.gz FSFHUEWNUZTINN-ZIAGYGMSSA-N 1 2 273.336 0.534 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001081353523 820745384 /nfs/dbraw/zinc/74/53/84/820745384.db2.gz WPQOPHQQSMLUGD-VXGBXAGGSA-N 1 2 281.743 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001081353523 820745393 /nfs/dbraw/zinc/74/53/93/820745393.db2.gz WPQOPHQQSMLUGD-VXGBXAGGSA-N 1 2 281.743 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@H](OC)C1 ZINC001081792376 820828106 /nfs/dbraw/zinc/82/81/06/820828106.db2.gz PEYVIKJWIGLSAT-CHWSQXEVSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@H](OC)C1 ZINC001081792376 820828117 /nfs/dbraw/zinc/82/81/17/820828117.db2.gz PEYVIKJWIGLSAT-CHWSQXEVSA-N 1 2 291.351 0.860 20 30 CCEDLO CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853172 820855487 /nfs/dbraw/zinc/85/54/87/820855487.db2.gz CPHOYHHUUPXXGB-ZIAGYGMSSA-N 1 2 299.334 0.515 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@H](OC)C1 ZINC001082081656 820896127 /nfs/dbraw/zinc/89/61/27/820896127.db2.gz QBNNIYIAWXTMLP-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@H](OC)C1 ZINC001082081656 820896137 /nfs/dbraw/zinc/89/61/37/820896137.db2.gz QBNNIYIAWXTMLP-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@H](OC)C1 ZINC001082237936 820918815 /nfs/dbraw/zinc/91/88/15/820918815.db2.gz XWJSOSZYWODMSE-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@H](OC)C1 ZINC001082237936 820918820 /nfs/dbraw/zinc/91/88/20/820918820.db2.gz XWJSOSZYWODMSE-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H](O)[C@H](CO)C3)c2c1 ZINC001164538463 820958720 /nfs/dbraw/zinc/95/87/20/820958720.db2.gz JMFLBPLXRHEDPR-JSGCOSHPSA-N 1 2 269.304 0.896 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC001082979859 821087455 /nfs/dbraw/zinc/08/74/55/821087455.db2.gz YBDKNWHHJMJAQY-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC001082979859 821087466 /nfs/dbraw/zinc/08/74/66/821087466.db2.gz YBDKNWHHJMJAQY-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C(C)C)[C@H]2C1 ZINC001083167917 821152760 /nfs/dbraw/zinc/15/27/60/821152760.db2.gz FJOSJBBXBJVVGE-XQQFMLRXSA-N 1 2 268.332 0.525 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C(C)C)[C@H]2C1 ZINC001083167917 821152767 /nfs/dbraw/zinc/15/27/67/821152767.db2.gz FJOSJBBXBJVVGE-XQQFMLRXSA-N 1 2 268.332 0.525 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001084027144 821177600 /nfs/dbraw/zinc/17/76/00/821177600.db2.gz ZYFOPCJNDMSIGZ-NEPJUHHUSA-N 1 2 290.388 0.645 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001084027144 821177606 /nfs/dbraw/zinc/17/76/06/821177606.db2.gz ZYFOPCJNDMSIGZ-NEPJUHHUSA-N 1 2 290.388 0.645 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)[C@@H](O)C1 ZINC001084025380 821178448 /nfs/dbraw/zinc/17/84/48/821178448.db2.gz KBEKAOBASOWGSA-SJORKVTESA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)[C@@H](O)C1 ZINC001084025380 821178452 /nfs/dbraw/zinc/17/84/52/821178452.db2.gz KBEKAOBASOWGSA-SJORKVTESA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001084035875 821180892 /nfs/dbraw/zinc/18/08/92/821180892.db2.gz GKZWDUKUVYJYFK-CABCVRRESA-N 1 2 286.375 0.759 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001084035875 821180897 /nfs/dbraw/zinc/18/08/97/821180897.db2.gz GKZWDUKUVYJYFK-CABCVRRESA-N 1 2 286.375 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001084126330 821202800 /nfs/dbraw/zinc/20/28/00/821202800.db2.gz PCYVNXQFYQTDQL-NEPJUHHUSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001084126330 821202807 /nfs/dbraw/zinc/20/28/07/821202807.db2.gz PCYVNXQFYQTDQL-NEPJUHHUSA-N 1 2 278.396 0.853 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001084671245 821346416 /nfs/dbraw/zinc/34/64/16/821346416.db2.gz HVPDCFZRASIKKN-DGCLKSJQSA-N 1 2 275.356 0.456 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001084671245 821346425 /nfs/dbraw/zinc/34/64/25/821346425.db2.gz HVPDCFZRASIKKN-DGCLKSJQSA-N 1 2 275.356 0.456 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000712275665 821433093 /nfs/dbraw/zinc/43/30/93/821433093.db2.gz ANRKDBKOFLJARD-LLVKDONJSA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000712275665 821433096 /nfs/dbraw/zinc/43/30/96/821433096.db2.gz ANRKDBKOFLJARD-LLVKDONJSA-N 1 2 283.328 0.680 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000820344461 821440266 /nfs/dbraw/zinc/44/02/66/821440266.db2.gz LLBONALWBMYLQX-XBFCOCLRSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231087764 821489789 /nfs/dbraw/zinc/48/97/89/821489789.db2.gz VMOQKKQORAYPAU-OCCSQVGLSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231087764 821489795 /nfs/dbraw/zinc/48/97/95/821489795.db2.gz VMOQKKQORAYPAU-OCCSQVGLSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450773 821703255 /nfs/dbraw/zinc/70/32/55/821703255.db2.gz BNASAVCEDMSHIC-UONOGXRCSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C2CC2)C1=O ZINC001085450773 821703260 /nfs/dbraw/zinc/70/32/60/821703260.db2.gz BNASAVCEDMSHIC-UONOGXRCSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085505247 821749443 /nfs/dbraw/zinc/74/94/43/821749443.db2.gz QXYKYZYZKCDIHT-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085505247 821749444 /nfs/dbraw/zinc/74/94/44/821749444.db2.gz QXYKYZYZKCDIHT-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085666249 821884184 /nfs/dbraw/zinc/88/41/84/821884184.db2.gz BSQLOPDGPJEJHQ-NSHDSACASA-N 1 2 276.340 0.588 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001085666249 821884193 /nfs/dbraw/zinc/88/41/93/821884193.db2.gz BSQLOPDGPJEJHQ-NSHDSACASA-N 1 2 276.340 0.588 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085681521 821894197 /nfs/dbraw/zinc/89/41/97/821894197.db2.gz ZYXRWYJEIKIIMX-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001085685577 821901062 /nfs/dbraw/zinc/90/10/62/821901062.db2.gz VNJILXDTSKNIIN-LLVKDONJSA-N 1 2 299.334 0.443 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001085685577 821901069 /nfs/dbraw/zinc/90/10/69/821901069.db2.gz VNJILXDTSKNIIN-LLVKDONJSA-N 1 2 299.334 0.443 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899721 822005883 /nfs/dbraw/zinc/00/58/83/822005883.db2.gz LVGXBVCEKHUZGA-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899721 822005892 /nfs/dbraw/zinc/00/58/92/822005892.db2.gz LVGXBVCEKHUZGA-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC001085947817 822030855 /nfs/dbraw/zinc/03/08/55/822030855.db2.gz SROWGIQAKCYTOY-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC001085947817 822030860 /nfs/dbraw/zinc/03/08/60/822030860.db2.gz SROWGIQAKCYTOY-ZDUSSCGKSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086003909 822065635 /nfs/dbraw/zinc/06/56/35/822065635.db2.gz SSSKHVGQUHSJTB-GFCCVEGCSA-N 1 2 275.356 0.386 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086003909 822065645 /nfs/dbraw/zinc/06/56/45/822065645.db2.gz SSSKHVGQUHSJTB-GFCCVEGCSA-N 1 2 275.356 0.386 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccnn2)C1 ZINC001108297705 822333636 /nfs/dbraw/zinc/33/36/36/822333636.db2.gz JUCGIMDLEYNRTK-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccnn2)C1 ZINC001108297705 822333643 /nfs/dbraw/zinc/33/36/43/822333643.db2.gz JUCGIMDLEYNRTK-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114263095 837491864 /nfs/dbraw/zinc/49/18/64/837491864.db2.gz OHCHMOLYBPZUPV-ZZVYKPCYSA-N 1 2 289.335 0.259 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114263095 837491869 /nfs/dbraw/zinc/49/18/69/837491869.db2.gz OHCHMOLYBPZUPV-ZZVYKPCYSA-N 1 2 289.335 0.259 20 30 CCEDLO CSc1nc(Cl)c(/C=N/O)c(-n2cnc(C[NH3+])n2)n1 ZINC001157928630 837717238 /nfs/dbraw/zinc/71/72/38/837717238.db2.gz NEDQIXVFTQMPDD-QLKAYGNNSA-N 1 2 299.747 0.699 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108413641 836049137 /nfs/dbraw/zinc/04/91/37/836049137.db2.gz DZGDFKSSWLOFAB-MRXNPFEDSA-N 1 2 289.379 0.788 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108413641 836049148 /nfs/dbraw/zinc/04/91/48/836049148.db2.gz DZGDFKSSWLOFAB-MRXNPFEDSA-N 1 2 289.379 0.788 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975188 836091405 /nfs/dbraw/zinc/09/14/05/836091405.db2.gz UMPRXYHRPIGDBI-HLTSFMKQSA-N 1 2 262.331 0.493 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)c(C)cn2)C[NH2+]1 ZINC001169131078 836146622 /nfs/dbraw/zinc/14/66/22/836146622.db2.gz ZDTNCYZJFCNBDE-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)c1c[nH]c2nc(N3CC[NH2+]C[C@@H]3C#N)ccc12 ZINC001156320331 836280383 /nfs/dbraw/zinc/28/03/83/836280383.db2.gz XUWRNIRJLFKJPE-VIFPVBQESA-N 1 2 285.307 0.651 20 30 CCEDLO C#C[C@@](C)(CC)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC001169691881 836420703 /nfs/dbraw/zinc/42/07/03/836420703.db2.gz HIHFQHQPZNHVOZ-HNNXBMFYSA-N 1 2 287.367 0.969 20 30 CCEDLO C#C[C@@](C)(CC)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001169691881 836420710 /nfs/dbraw/zinc/42/07/10/836420710.db2.gz HIHFQHQPZNHVOZ-HNNXBMFYSA-N 1 2 287.367 0.969 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C=C)CC2=O)C1 ZINC001108560334 836448850 /nfs/dbraw/zinc/44/88/50/836448850.db2.gz JTKXGEPUNFUARI-LBPRGKRZSA-N 1 2 291.395 0.786 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001108624251 836499035 /nfs/dbraw/zinc/49/90/35/836499035.db2.gz KZFXVXITPGFEOK-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078970 836613139 /nfs/dbraw/zinc/61/31/39/836613139.db2.gz UJMROAQYFPVSOU-NDBYEHHHSA-N 1 2 290.367 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078970 836613141 /nfs/dbraw/zinc/61/31/41/836613141.db2.gz UJMROAQYFPVSOU-NDBYEHHHSA-N 1 2 290.367 0.170 20 30 CCEDLO CCCC#CC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001184270717 844183002 /nfs/dbraw/zinc/18/30/02/844183002.db2.gz ZXGIIFCEQCNAED-LLVKDONJSA-N 1 2 252.314 0.106 20 30 CCEDLO CCCC#CC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001184270717 844183004 /nfs/dbraw/zinc/18/30/04/844183004.db2.gz ZXGIIFCEQCNAED-LLVKDONJSA-N 1 2 252.314 0.106 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255130 836648294 /nfs/dbraw/zinc/64/82/94/836648294.db2.gz MTSRSDJFINTBTE-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109254649 836648486 /nfs/dbraw/zinc/64/84/86/836648486.db2.gz DECDIPKGIPLENJ-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600787 836699837 /nfs/dbraw/zinc/69/98/37/836699837.db2.gz NIDFUCUBEZUWIO-POQQGIQPSA-N 1 2 291.395 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600787 836699846 /nfs/dbraw/zinc/69/98/46/836699846.db2.gz NIDFUCUBEZUWIO-POQQGIQPSA-N 1 2 291.395 0.666 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112845992 836938020 /nfs/dbraw/zinc/93/80/20/836938020.db2.gz BTBSLHZSHLSINN-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112842016 836939817 /nfs/dbraw/zinc/93/98/17/836939817.db2.gz VAZVMCBQSYBNCY-AWEZNQCLSA-N 1 2 290.367 0.066 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 ZINC001112874721 836946106 /nfs/dbraw/zinc/94/61/06/836946106.db2.gz KTQBXUAMPSXTSJ-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC(=O)OC(C)C)CC1 ZINC001184445931 844233337 /nfs/dbraw/zinc/23/33/37/844233337.db2.gz FANGXNQUUUNMFJ-UHFFFAOYSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001113357520 837100722 /nfs/dbraw/zinc/10/07/22/837100722.db2.gz LVMFQSAMFNJULP-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)CSCC#N)cc[nH+]1 ZINC001113496967 837134741 /nfs/dbraw/zinc/13/47/41/837134741.db2.gz YKFNMLPTHSXJIM-JTQLQIEISA-N 1 2 293.396 0.983 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001113529450 837149044 /nfs/dbraw/zinc/14/90/44/837149044.db2.gz QTEZBUGKAUUEBM-OAHLLOKOSA-N 1 2 279.384 0.621 20 30 CCEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001113536819 837150522 /nfs/dbraw/zinc/15/05/22/837150522.db2.gz BWBUXSCBUMZOJD-UWVGGRQHSA-N 1 2 261.329 0.886 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001113546738 837155487 /nfs/dbraw/zinc/15/54/87/837155487.db2.gz IYIOPTBHMAXVIS-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H](C)c2nccn2C)CC1 ZINC001113589730 837171445 /nfs/dbraw/zinc/17/14/45/837171445.db2.gz BHSSEEAFJQSLHF-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)nc1 ZINC001113645114 837187205 /nfs/dbraw/zinc/18/72/05/837187205.db2.gz SLBWSDGMZOXITM-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ncccc1C#N ZINC001113696383 837198344 /nfs/dbraw/zinc/19/83/44/837198344.db2.gz XYUWIQZOMOGUEH-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131730838 838192190 /nfs/dbraw/zinc/19/21/90/838192190.db2.gz PXAHXHDTVQRIEV-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131730838 838192198 /nfs/dbraw/zinc/19/21/98/838192198.db2.gz PXAHXHDTVQRIEV-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132303975 838358988 /nfs/dbraw/zinc/35/89/88/838358988.db2.gz DKPQQNQDBFMOGW-DGCLKSJQSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132303975 838358995 /nfs/dbraw/zinc/35/89/95/838358995.db2.gz DKPQQNQDBFMOGW-DGCLKSJQSA-N 1 2 275.356 0.340 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132314393 838360039 /nfs/dbraw/zinc/36/00/39/838360039.db2.gz KGYQVQUNMTWLAL-OCCSQVGLSA-N 1 2 289.383 0.730 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132314393 838360045 /nfs/dbraw/zinc/36/00/45/838360045.db2.gz KGYQVQUNMTWLAL-OCCSQVGLSA-N 1 2 289.383 0.730 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132402074 838385033 /nfs/dbraw/zinc/38/50/33/838385033.db2.gz KWPWIFHHUISBGN-UHFFFAOYSA-N 1 2 282.344 0.634 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132568752 838437800 /nfs/dbraw/zinc/43/78/00/838437800.db2.gz DCDFOMRQXXHKFH-GHMZBOCLSA-N 1 2 296.371 0.880 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132591247 838446065 /nfs/dbraw/zinc/44/60/65/838446065.db2.gz KGCFEPNANIEXNR-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132591137 838446142 /nfs/dbraw/zinc/44/61/42/838446142.db2.gz HVJDHNNRZPHGFM-UHFFFAOYSA-N 1 2 294.355 0.615 20 30 CCEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)NCC#N ZINC001134234481 838914250 /nfs/dbraw/zinc/91/42/50/838914250.db2.gz HMRCAXNLNSEYDX-MNOVXSKESA-N 1 2 263.345 0.739 20 30 CCEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1CNCC#N ZINC001185787644 844460229 /nfs/dbraw/zinc/46/02/29/844460229.db2.gz HLRVNLUYMODDLE-QWHCGFSZSA-N 1 2 275.356 0.481 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090660713 839711195 /nfs/dbraw/zinc/71/11/95/839711195.db2.gz UZXCVYJGSOXSKK-MNOVXSKESA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090660713 839711204 /nfs/dbraw/zinc/71/12/04/839711204.db2.gz UZXCVYJGSOXSKK-MNOVXSKESA-N 1 2 296.758 0.394 20 30 CCEDLO N#Cc1cc(NC(=O)C[N@H+]2CC[C@@H](O)C2)ccc1O ZINC001186051670 844500554 /nfs/dbraw/zinc/50/05/54/844500554.db2.gz YDCNEWDYANKBDX-LLVKDONJSA-N 1 2 261.281 0.269 20 30 CCEDLO N#Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)ccc1O ZINC001186051670 844500557 /nfs/dbraw/zinc/50/05/57/844500557.db2.gz YDCNEWDYANKBDX-LLVKDONJSA-N 1 2 261.281 0.269 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091545242 840262404 /nfs/dbraw/zinc/26/24/04/840262404.db2.gz MTAWBXKZPMOPEN-WDMOLILDSA-N 1 2 289.339 0.510 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091545242 840262411 /nfs/dbraw/zinc/26/24/11/840262411.db2.gz MTAWBXKZPMOPEN-WDMOLILDSA-N 1 2 289.339 0.510 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2csnn2)cn1 ZINC001148383015 840798968 /nfs/dbraw/zinc/79/89/68/840798968.db2.gz OBNMEDBYAAFOKV-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001091896462 840976080 /nfs/dbraw/zinc/97/60/80/840976080.db2.gz HGKBASSXDJJPNT-HIFRSBDPSA-N 1 2 287.367 0.577 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001093701807 841440971 /nfs/dbraw/zinc/44/09/71/841440971.db2.gz GYZLVBWRQGGIPO-UHFFFAOYSA-N 1 2 285.311 0.082 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cncc(C#N)n1 ZINC001094188566 841560954 /nfs/dbraw/zinc/56/09/54/841560954.db2.gz CLLJMENWPZKHSG-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cncc(C#N)n1 ZINC001094188566 841560963 /nfs/dbraw/zinc/56/09/63/841560963.db2.gz CLLJMENWPZKHSG-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001094406675 841637694 /nfs/dbraw/zinc/63/76/94/841637694.db2.gz HEINRKFYMRTQFN-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO C#CCOCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094593770 841681249 /nfs/dbraw/zinc/68/12/49/841681249.db2.gz MFZMTTRBEIYSLT-UHFFFAOYSA-N 1 2 276.340 0.743 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)CCn1cc[nH+]c1 ZINC001094689795 841702409 /nfs/dbraw/zinc/70/24/09/841702409.db2.gz QWIRSJRGPOUCFB-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(C)CCC3)CC2=O)C1 ZINC001094773356 841721081 /nfs/dbraw/zinc/72/10/81/841721081.db2.gz SMVMEVVWYBLYHN-GFCCVEGCSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3CC)CC2=O)C1 ZINC001094790731 841722512 /nfs/dbraw/zinc/72/25/12/841722512.db2.gz OVMSXKVCZXTGSC-MBNYWOFBSA-N 1 2 291.395 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC34CC4)CC2=O)C1 ZINC001094791955 841723001 /nfs/dbraw/zinc/72/30/01/841723001.db2.gz IVRGYHYDTOTLSO-YPMHNXCESA-N 1 2 289.379 0.374 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172145854 841860202 /nfs/dbraw/zinc/86/02/02/841860202.db2.gz IDZWCRPXUJWLFG-DCAQKATOSA-N 1 2 286.397 0.591 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@H+](C)CCC#N)C[C@@H]1C(=O)OC ZINC001173573659 842106254 /nfs/dbraw/zinc/10/62/54/842106254.db2.gz WZHXYEXAOYGJBR-RTCCRHLQSA-N 1 2 268.313 0.573 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@@H+](C)CCC#N)C[C@@H]1C(=O)OC ZINC001173573659 842106258 /nfs/dbraw/zinc/10/62/58/842106258.db2.gz WZHXYEXAOYGJBR-RTCCRHLQSA-N 1 2 268.313 0.573 20 30 CCEDLO C#Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC001174490083 842186893 /nfs/dbraw/zinc/18/68/93/842186893.db2.gz VFPVXWSGAPLXJC-UHFFFAOYSA-N 1 2 297.362 0.757 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110183537 842235405 /nfs/dbraw/zinc/23/54/05/842235405.db2.gz XSIHYNSKWWFIQH-NDBYEHHHSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110183537 842235407 /nfs/dbraw/zinc/23/54/07/842235407.db2.gz XSIHYNSKWWFIQH-NDBYEHHHSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001176876513 842434985 /nfs/dbraw/zinc/43/49/85/842434985.db2.gz OJKCIDGIRRETQX-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001176876513 842434991 /nfs/dbraw/zinc/43/49/91/842434991.db2.gz OJKCIDGIRRETQX-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)CCn1cc[nH+]c1 ZINC001176883922 842441440 /nfs/dbraw/zinc/44/14/40/842441440.db2.gz QXAHYRIOTJGBRF-UHFFFAOYSA-N 1 2 251.286 0.509 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)C#Cc1ccccn1 ZINC001177807037 842684040 /nfs/dbraw/zinc/68/40/40/842684040.db2.gz ISCMHYBPLRLPLH-UHFFFAOYSA-N 1 2 254.293 0.526 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119241 842762804 /nfs/dbraw/zinc/76/28/04/842762804.db2.gz LRZJMPXFVKCITK-LLVKDONJSA-N 1 2 277.324 0.681 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nc3ccccc3n2)CC1 ZINC001180295962 843145220 /nfs/dbraw/zinc/14/52/20/843145220.db2.gz HKGSMZBJAWWCFM-UHFFFAOYSA-N 1 2 285.351 0.762 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180757672 843279563 /nfs/dbraw/zinc/27/95/63/843279563.db2.gz XTQJYFKQVPXXTB-GFCCVEGCSA-N 1 2 260.297 0.531 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180757672 843279574 /nfs/dbraw/zinc/27/95/74/843279574.db2.gz XTQJYFKQVPXXTB-GFCCVEGCSA-N 1 2 260.297 0.531 20 30 CCEDLO N#Cc1cnc(NC(=O)Cc2cc[nH+]c(N)c2)cn1 ZINC001181229070 843433138 /nfs/dbraw/zinc/43/31/38/843433138.db2.gz GNASXKCUUBMJBQ-UHFFFAOYSA-N 1 2 254.253 0.507 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC)C2 ZINC001110262896 843756365 /nfs/dbraw/zinc/75/63/65/843756365.db2.gz BCJRTEZZUITHBD-UTUOFQBUSA-N 1 2 297.424 0.373 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC)C2 ZINC001110262896 843756374 /nfs/dbraw/zinc/75/63/74/843756374.db2.gz BCJRTEZZUITHBD-UTUOFQBUSA-N 1 2 297.424 0.373 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC001182458762 843833520 /nfs/dbraw/zinc/83/35/20/843833520.db2.gz VMVXNRNTLLNNFK-AWEZNQCLSA-N 1 2 291.395 0.575 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CC(F)F)C(=O)CO2 ZINC001273543368 844737796 /nfs/dbraw/zinc/73/77/96/844737796.db2.gz ZDDDPDPYTJHJFM-UHFFFAOYSA-N 1 2 272.295 0.578 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001192221717 845805882 /nfs/dbraw/zinc/80/58/82/845805882.db2.gz GPGBTTVHMBDRQD-VXGBXAGGSA-N 1 2 284.331 0.061 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001192221717 845805886 /nfs/dbraw/zinc/80/58/86/845805886.db2.gz GPGBTTVHMBDRQD-VXGBXAGGSA-N 1 2 284.331 0.061 20 30 CCEDLO Cc1cn2c(cccc2NS(=O)(=O)CC#N)[nH+]1 ZINC001192928578 845938030 /nfs/dbraw/zinc/93/80/30/845938030.db2.gz DJEMLJPJFKJUQU-UHFFFAOYSA-N 1 2 250.283 0.908 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1cnccc1C#N ZINC001192983696 845945702 /nfs/dbraw/zinc/94/57/02/845945702.db2.gz MOPCYXOHWOJNEK-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO Cc1cccn2c(CNS(=O)(=O)[C@H](C)C#N)c[nH+]c12 ZINC001193159481 846008880 /nfs/dbraw/zinc/00/88/80/846008880.db2.gz ILBVYQZDTFEFPY-SNVBAGLBSA-N 1 2 278.337 0.974 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001193390669 846068799 /nfs/dbraw/zinc/06/87/99/846068799.db2.gz DIUWVMLOGKEOTP-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001193390669 846068802 /nfs/dbraw/zinc/06/88/02/846068802.db2.gz DIUWVMLOGKEOTP-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001193390669 846068808 /nfs/dbraw/zinc/06/88/08/846068808.db2.gz DIUWVMLOGKEOTP-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C#N)c2O)C1 ZINC001193658956 846139599 /nfs/dbraw/zinc/13/95/99/846139599.db2.gz HVEJZZOCPYCLID-JTQLQIEISA-N 1 2 259.309 0.945 20 30 CCEDLO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C#N)c2O)C1 ZINC001193658956 846139604 /nfs/dbraw/zinc/13/96/04/846139604.db2.gz HVEJZZOCPYCLID-JTQLQIEISA-N 1 2 259.309 0.945 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)OC)CO2 ZINC001273685731 846395824 /nfs/dbraw/zinc/39/58/24/846395824.db2.gz LUSBIRXZTSPIRZ-NEPJUHHUSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194869382 846408990 /nfs/dbraw/zinc/40/89/90/846408990.db2.gz QEJCBLBXRUXWJA-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194869382 846408992 /nfs/dbraw/zinc/40/89/92/846408992.db2.gz QEJCBLBXRUXWJA-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN(C)C(C)=O)CC1 ZINC001194926719 846420026 /nfs/dbraw/zinc/42/00/26/846420026.db2.gz XGTWWPHJPXREJM-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN(C)C(C)=O)CC1 ZINC001194926719 846420030 /nfs/dbraw/zinc/42/00/30/846420030.db2.gz XGTWWPHJPXREJM-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)OC)CC1 ZINC001195211495 846481461 /nfs/dbraw/zinc/48/14/61/846481461.db2.gz YOVDBEGMQBXBLU-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)OC)CC1 ZINC001195211495 846481466 /nfs/dbraw/zinc/48/14/66/846481466.db2.gz YOVDBEGMQBXBLU-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001195277566 846490943 /nfs/dbraw/zinc/49/09/43/846490943.db2.gz HMVRRYCASAGFGA-ZIAGYGMSSA-N 1 2 289.379 0.955 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001195277566 846490947 /nfs/dbraw/zinc/49/09/47/846490947.db2.gz HMVRRYCASAGFGA-ZIAGYGMSSA-N 1 2 289.379 0.955 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001195285924 846495858 /nfs/dbraw/zinc/49/58/58/846495858.db2.gz CFTPMVONSPGHCD-CHWSQXEVSA-N 1 2 292.383 0.294 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001195285924 846495861 /nfs/dbraw/zinc/49/58/61/846495861.db2.gz CFTPMVONSPGHCD-CHWSQXEVSA-N 1 2 292.383 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC001195459111 846535035 /nfs/dbraw/zinc/53/50/35/846535035.db2.gz DYISDBHEALFSMK-ACAGNQJTSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC001195459111 846535046 /nfs/dbraw/zinc/53/50/46/846535046.db2.gz DYISDBHEALFSMK-ACAGNQJTSA-N 1 2 279.384 0.789 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](F)C(C)C)CO2 ZINC001273713021 846681411 /nfs/dbraw/zinc/68/14/11/846681411.db2.gz MNCLYOZGFKJTQQ-OLZOCXBDSA-N 1 2 282.359 0.963 20 30 CCEDLO Cc1ccnc(C#N)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251011270 846780417 /nfs/dbraw/zinc/78/04/17/846780417.db2.gz IWRBWGHJGYIHPG-LBPRGKRZSA-N 1 2 276.340 0.367 20 30 CCEDLO N#Cc1ccc(Cl)nc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006342 846780869 /nfs/dbraw/zinc/78/08/69/846780869.db2.gz FNFPNBLCSJXUBR-LLVKDONJSA-N 1 2 296.758 0.712 20 30 CCEDLO CSc1[nH]nc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251007600 846782862 /nfs/dbraw/zinc/78/28/62/846782862.db2.gz WZEVXNBVLQRKSW-SECBINFHSA-N 1 2 297.384 0.108 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001251832150 847176848 /nfs/dbraw/zinc/17/68/48/847176848.db2.gz DLRXZFLGFYVADR-NXEZZACHSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001251832150 847176855 /nfs/dbraw/zinc/17/68/55/847176855.db2.gz DLRXZFLGFYVADR-NXEZZACHSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001251885603 847341964 /nfs/dbraw/zinc/34/19/64/847341964.db2.gz ZDILPWSPTSSJDK-OLZOCXBDSA-N 1 2 271.357 0.565 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CC(C)(C)OC)C2)OCC1=O ZINC001273810154 847559051 /nfs/dbraw/zinc/55/90/51/847559051.db2.gz WENYLCZZBKYXPW-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CC[NH2+]C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200556099 847651171 /nfs/dbraw/zinc/65/11/71/847651171.db2.gz WRTXNVBGVSCRRH-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCCO1 ZINC001200556099 847651177 /nfs/dbraw/zinc/65/11/77/847651177.db2.gz WRTXNVBGVSCRRH-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO N#CCNC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200649278 847679076 /nfs/dbraw/zinc/67/90/76/847679076.db2.gz ZRUQIJYRIDBHAI-CYBMUJFWSA-N 1 2 291.355 0.073 20 30 CCEDLO N#CCNC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200649278 847679080 /nfs/dbraw/zinc/67/90/80/847679080.db2.gz ZRUQIJYRIDBHAI-CYBMUJFWSA-N 1 2 291.355 0.073 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273990991 848211965 /nfs/dbraw/zinc/21/19/65/848211965.db2.gz UKDJUEHETOPOBS-HNNXBMFYSA-N 1 2 280.368 0.697 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273990991 848211971 /nfs/dbraw/zinc/21/19/71/848211971.db2.gz UKDJUEHETOPOBS-HNNXBMFYSA-N 1 2 280.368 0.697 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001274069602 848338015 /nfs/dbraw/zinc/33/80/15/848338015.db2.gz UPWFYAJTJVEFPT-PLNGDYQASA-N 1 2 278.360 0.328 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CCC)OC)CC2)C1 ZINC001274474085 848486168 /nfs/dbraw/zinc/48/61/68/848486168.db2.gz BBWUEPLTOBQUMY-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001274614329 848523409 /nfs/dbraw/zinc/52/34/09/848523409.db2.gz FFGDPWVZCIFMFR-OAHLLOKOSA-N 1 2 294.395 0.779 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001275547890 848758267 /nfs/dbraw/zinc/75/82/67/848758267.db2.gz OIJVIHNWQBEIFQ-ZFWWWQNUSA-N 1 2 273.336 0.779 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001275547890 848758269 /nfs/dbraw/zinc/75/82/69/848758269.db2.gz OIJVIHNWQBEIFQ-ZFWWWQNUSA-N 1 2 273.336 0.779 20 30 CCEDLO N#CCNC[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805597 848829984 /nfs/dbraw/zinc/82/99/84/848829984.db2.gz LCZYEAPAWYNXLO-RYUDHWBXSA-N 1 2 275.356 0.740 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111040593 849053055 /nfs/dbraw/zinc/05/30/55/849053055.db2.gz SHSLLTLMXHZZNP-UPJWGTAASA-N 1 2 273.340 0.092 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111040593 849053067 /nfs/dbraw/zinc/05/30/67/849053067.db2.gz SHSLLTLMXHZZNP-UPJWGTAASA-N 1 2 273.340 0.092 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001038629881 849729440 /nfs/dbraw/zinc/72/94/40/849729440.db2.gz KEKXREWJYDGGTD-JSGCOSHPSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001038629881 849729444 /nfs/dbraw/zinc/72/94/44/849729444.db2.gz KEKXREWJYDGGTD-JSGCOSHPSA-N 1 2 286.379 0.349 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001038636672 849759086 /nfs/dbraw/zinc/75/90/86/849759086.db2.gz UYFCSVWWSUUPNK-LLVKDONJSA-N 1 2 289.335 0.135 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001038636672 849759091 /nfs/dbraw/zinc/75/90/91/849759091.db2.gz UYFCSVWWSUUPNK-LLVKDONJSA-N 1 2 289.335 0.135 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001038173194 849808740 /nfs/dbraw/zinc/80/87/40/849808740.db2.gz MNXXLWQWWSZYOA-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001038173194 849808743 /nfs/dbraw/zinc/80/87/43/849808743.db2.gz MNXXLWQWWSZYOA-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001038263146 849834433 /nfs/dbraw/zinc/83/44/33/849834433.db2.gz PLUABHUNLUSCEF-OAGGEKHMSA-N 1 2 299.374 0.983 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001038263146 849834438 /nfs/dbraw/zinc/83/44/38/849834438.db2.gz PLUABHUNLUSCEF-OAGGEKHMSA-N 1 2 299.374 0.983 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038276326 849836957 /nfs/dbraw/zinc/83/69/57/849836957.db2.gz DDWHVONTZOWGAK-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001038276326 849836962 /nfs/dbraw/zinc/83/69/62/849836962.db2.gz DDWHVONTZOWGAK-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038488838 849920697 /nfs/dbraw/zinc/92/06/97/849920697.db2.gz HPTJGQMHBSYGQS-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038488838 849920702 /nfs/dbraw/zinc/92/07/02/849920702.db2.gz HPTJGQMHBSYGQS-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038637162 849968665 /nfs/dbraw/zinc/96/86/65/849968665.db2.gz FNOUDAYAXUFIQQ-JTQLQIEISA-N 1 2 299.334 0.491 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001038637162 849968671 /nfs/dbraw/zinc/96/86/71/849968671.db2.gz FNOUDAYAXUFIQQ-JTQLQIEISA-N 1 2 299.334 0.491 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038690436 849984688 /nfs/dbraw/zinc/98/46/88/849984688.db2.gz KQQFQFNUTXCMGX-LBPRGKRZSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038690436 849984693 /nfs/dbraw/zinc/98/46/93/849984693.db2.gz KQQFQFNUTXCMGX-LBPRGKRZSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038696791 849986619 /nfs/dbraw/zinc/98/66/19/849986619.db2.gz SSFIWIVUWIMUBG-LBPRGKRZSA-N 1 2 289.383 0.861 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038696791 849986622 /nfs/dbraw/zinc/98/66/22/849986622.db2.gz SSFIWIVUWIMUBG-LBPRGKRZSA-N 1 2 289.383 0.861 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001038755703 850005765 /nfs/dbraw/zinc/00/57/65/850005765.db2.gz YKWIERAZJKDLMD-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001038755703 850005768 /nfs/dbraw/zinc/00/57/68/850005768.db2.gz YKWIERAZJKDLMD-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001038776068 850011728 /nfs/dbraw/zinc/01/17/28/850011728.db2.gz OYPVICQSUAIPJX-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001038776068 850011737 /nfs/dbraw/zinc/01/17/37/850011737.db2.gz OYPVICQSUAIPJX-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001038822734 850028222 /nfs/dbraw/zinc/02/82/22/850028222.db2.gz LJNFHJONZVOJIV-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001038822734 850028233 /nfs/dbraw/zinc/02/82/33/850028233.db2.gz LJNFHJONZVOJIV-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038857897 850053790 /nfs/dbraw/zinc/05/37/90/850053790.db2.gz UNOACLCUHBACPX-AWEZNQCLSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038857897 850053802 /nfs/dbraw/zinc/05/38/02/850053802.db2.gz UNOACLCUHBACPX-AWEZNQCLSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(COC)n1 ZINC001038871737 850061763 /nfs/dbraw/zinc/06/17/63/850061763.db2.gz ZTMXPALATHSAJF-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(COC)n1 ZINC001038871737 850061768 /nfs/dbraw/zinc/06/17/68/850061768.db2.gz ZTMXPALATHSAJF-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038879107 850062401 /nfs/dbraw/zinc/06/24/01/850062401.db2.gz TWHDROOTMNCPRB-ZDUSSCGKSA-N 1 2 296.334 0.595 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001038909964 850076042 /nfs/dbraw/zinc/07/60/42/850076042.db2.gz STNXDACFFKLFJV-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001038909964 850076046 /nfs/dbraw/zinc/07/60/46/850076046.db2.gz STNXDACFFKLFJV-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001039028528 850126999 /nfs/dbraw/zinc/12/69/99/850126999.db2.gz PPOSMZGUIDJMFQ-ZDUSSCGKSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001039028528 850127005 /nfs/dbraw/zinc/12/70/05/850127005.db2.gz PPOSMZGUIDJMFQ-ZDUSSCGKSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001039028527 850127161 /nfs/dbraw/zinc/12/71/61/850127161.db2.gz PPOSMZGUIDJMFQ-CYBMUJFWSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001039028527 850127165 /nfs/dbraw/zinc/12/71/65/850127165.db2.gz PPOSMZGUIDJMFQ-CYBMUJFWSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039034468 850129605 /nfs/dbraw/zinc/12/96/05/850129605.db2.gz CNYZKFNJZQYMBP-AWEZNQCLSA-N 1 2 285.347 0.484 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039034468 850129614 /nfs/dbraw/zinc/12/96/14/850129614.db2.gz CNYZKFNJZQYMBP-AWEZNQCLSA-N 1 2 285.347 0.484 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039031560 850130206 /nfs/dbraw/zinc/13/02/06/850130206.db2.gz HUFXNPYZFCALKP-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039031560 850130210 /nfs/dbraw/zinc/13/02/10/850130210.db2.gz HUFXNPYZFCALKP-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039081789 850149791 /nfs/dbraw/zinc/14/97/91/850149791.db2.gz YSIDFSPPYFUCKJ-LLVKDONJSA-N 1 2 261.329 0.044 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC001039081789 850149799 /nfs/dbraw/zinc/14/97/99/850149799.db2.gz YSIDFSPPYFUCKJ-LLVKDONJSA-N 1 2 261.329 0.044 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042285900 850609620 /nfs/dbraw/zinc/60/96/20/850609620.db2.gz SQHGWEJXNAKBAP-RYUDHWBXSA-N 1 2 273.340 0.399 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnnn2CC)C1 ZINC001042691367 850735459 /nfs/dbraw/zinc/73/54/59/850735459.db2.gz XIQLYVZOOWCAQJ-UHFFFAOYSA-N 1 2 261.329 0.078 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001042840591 850769254 /nfs/dbraw/zinc/76/92/54/850769254.db2.gz GUFCFFUPMLEOGA-GFCCVEGCSA-N 1 2 293.411 0.962 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001043127840 850817874 /nfs/dbraw/zinc/81/78/74/850817874.db2.gz LFBDYJTWGGLPNE-UHFFFAOYSA-N 1 2 290.367 0.346 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN2CCCCC2=O)C1 ZINC001043208806 850835783 /nfs/dbraw/zinc/83/57/83/850835783.db2.gz VKXAFINVNMPTKN-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001043433051 850871907 /nfs/dbraw/zinc/87/19/07/850871907.db2.gz DZIHNLQHBLGGHL-CHWSQXEVSA-N 1 2 274.368 0.852 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001043507688 850889706 /nfs/dbraw/zinc/88/97/06/850889706.db2.gz ZINVFRDJUAODIC-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001043640756 850915611 /nfs/dbraw/zinc/91/56/11/850915611.db2.gz FYRMPKIBEDVYAX-LBPRGKRZSA-N 1 2 288.395 0.854 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)c1 ZINC001043823858 850942712 /nfs/dbraw/zinc/94/27/12/850942712.db2.gz JIDRKWCDFJNRLI-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001043834433 850946252 /nfs/dbraw/zinc/94/62/52/850946252.db2.gz LPLNHNZQKJGFJY-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001043910327 850962527 /nfs/dbraw/zinc/96/25/27/850962527.db2.gz IOCZXGYTZUXJHI-ZIAGYGMSSA-N 1 2 286.379 0.690 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CCC=C)nn2)C1 ZINC001044028807 850987323 /nfs/dbraw/zinc/98/73/23/850987323.db2.gz YUXLCUAANGKVPJ-UHFFFAOYSA-N 1 2 287.367 0.634 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001044243973 851051014 /nfs/dbraw/zinc/05/10/14/851051014.db2.gz DBTSELLLUOZUQL-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc3n2CCCC3)C1 ZINC001044313103 851072472 /nfs/dbraw/zinc/07/24/72/851072472.db2.gz KPRZCNFDXGCCRY-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001044338732 851081176 /nfs/dbraw/zinc/08/11/76/851081176.db2.gz WGBLYTYWDKOAQF-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044684988 851143883 /nfs/dbraw/zinc/14/38/83/851143883.db2.gz LPLDEJJPCCDAQH-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO CCC1(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046059743 851359745 /nfs/dbraw/zinc/35/97/45/851359745.db2.gz NVPOEMFKBPZGHK-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN(CC#N)C1 ZINC001046386028 851483966 /nfs/dbraw/zinc/48/39/66/851483966.db2.gz UGJVTOCJZQRWMA-JTNHKYCSSA-N 1 2 273.340 0.617 20 30 CCEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN(CC#N)C1 ZINC001046386028 851483968 /nfs/dbraw/zinc/48/39/68/851483968.db2.gz UGJVTOCJZQRWMA-JTNHKYCSSA-N 1 2 273.340 0.617 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(CC#N)C1 ZINC001046634218 851573840 /nfs/dbraw/zinc/57/38/40/851573840.db2.gz CVKSZCDSUGRXDD-JMSVASOKSA-N 1 2 287.367 0.628 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778608 851612941 /nfs/dbraw/zinc/61/29/41/851612941.db2.gz JCEYSUNXMODYJS-GXFFZTMASA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778608 851612942 /nfs/dbraw/zinc/61/29/42/851612942.db2.gz JCEYSUNXMODYJS-GXFFZTMASA-N 1 2 285.775 0.598 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001047516330 851799503 /nfs/dbraw/zinc/79/95/03/851799503.db2.gz YUWLUTGBCBWVLD-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001047516330 851799510 /nfs/dbraw/zinc/79/95/10/851799510.db2.gz YUWLUTGBCBWVLD-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001047576254 851822203 /nfs/dbraw/zinc/82/22/03/851822203.db2.gz ZVHDDLSNWOPRTO-RYUDHWBXSA-N 1 2 292.335 0.429 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001047576254 851822220 /nfs/dbraw/zinc/82/22/20/851822220.db2.gz ZVHDDLSNWOPRTO-RYUDHWBXSA-N 1 2 292.335 0.429 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)C[C@@H]2C1 ZINC001048724809 852036643 /nfs/dbraw/zinc/03/66/43/852036643.db2.gz HKDMBYWKGQECOP-MXWKQRLJSA-N 1 2 291.380 0.588 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)C[C@@H]2C1 ZINC001048724809 852036653 /nfs/dbraw/zinc/03/66/53/852036653.db2.gz HKDMBYWKGQECOP-MXWKQRLJSA-N 1 2 291.380 0.588 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)[nH]1 ZINC001048725794 852036730 /nfs/dbraw/zinc/03/67/30/852036730.db2.gz VYSLONXTOGGBBY-ZMLRMANQSA-N 1 2 288.355 0.163 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)[nH]1 ZINC001048725794 852036738 /nfs/dbraw/zinc/03/67/38/852036738.db2.gz VYSLONXTOGGBBY-ZMLRMANQSA-N 1 2 288.355 0.163 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001048793045 852061643 /nfs/dbraw/zinc/06/16/43/852061643.db2.gz VEEGXDLRKPFLOY-TXEJJXNPSA-N 1 2 273.340 0.256 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001048932864 852113170 /nfs/dbraw/zinc/11/31/70/852113170.db2.gz GITXBUJCEVXQJG-BETUJISGSA-N 1 2 295.346 0.862 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1[nH]cnc1C)CCO2 ZINC001053552899 852757570 /nfs/dbraw/zinc/75/75/70/852757570.db2.gz IDKPWBMNPNOBPW-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1n[nH]cc1F)O2 ZINC001053656946 852774174 /nfs/dbraw/zinc/77/41/74/852774174.db2.gz COCRGPNENGJOKL-SNVBAGLBSA-N 1 2 294.330 0.698 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)CO2 ZINC001053713069 852784559 /nfs/dbraw/zinc/78/45/59/852784559.db2.gz BWJWCHPLIQTZCN-CYBMUJFWSA-N 1 2 262.353 0.769 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnsn1)CO2 ZINC001053745667 852799196 /nfs/dbraw/zinc/79/91/96/852799196.db2.gz OHYIGHSRVOFQMK-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccon1)CO2 ZINC001053746926 852801030 /nfs/dbraw/zinc/80/10/30/852801030.db2.gz PACOLSRQKKYQLQ-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCOC1)CO2 ZINC001053752251 852804098 /nfs/dbraw/zinc/80/40/98/852804098.db2.gz VXUPBWKOMIOXCV-CHWSQXEVSA-N 1 2 280.368 0.559 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053766688 852813179 /nfs/dbraw/zinc/81/31/79/852813179.db2.gz SMPGSLVSJQCXHP-NSHDSACASA-N 1 2 274.324 0.479 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc[nH]1)CO2 ZINC001053794436 852822731 /nfs/dbraw/zinc/82/27/31/852822731.db2.gz OOBLLAQTUQIROI-LLVKDONJSA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc[nH]1)CO2 ZINC001054014270 852870560 /nfs/dbraw/zinc/87/05/60/852870560.db2.gz KTTGFICKIFSQSP-AWEZNQCLSA-N 1 2 287.363 0.540 20 30 CCEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC001054640547 852986309 /nfs/dbraw/zinc/98/63/09/852986309.db2.gz ZHDNHROOQAEJGN-GWCFXTLKSA-N 1 2 290.392 0.888 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cnc(C#N)cn1 ZINC001097955357 852997561 /nfs/dbraw/zinc/99/75/61/852997561.db2.gz KFJVPAXUGFHQNZ-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H](NCC#N)C2)c[nH+]1 ZINC001054794957 853016257 /nfs/dbraw/zinc/01/62/57/853016257.db2.gz SEMBARZDYRGMPJ-WCQYABFASA-N 1 2 289.383 0.887 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001056688025 853183516 /nfs/dbraw/zinc/18/35/16/853183516.db2.gz XIMYRMFMQNZVOA-LLVKDONJSA-N 1 2 297.322 0.327 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001056790764 853214973 /nfs/dbraw/zinc/21/49/73/853214973.db2.gz WQMFRXZLIQYBCV-GFCCVEGCSA-N 1 2 296.334 0.932 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971113 853496701 /nfs/dbraw/zinc/49/67/01/853496701.db2.gz BDRIUYBWZQACEY-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001050971113 853496707 /nfs/dbraw/zinc/49/67/07/853496707.db2.gz BDRIUYBWZQACEY-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001051004789 853506750 /nfs/dbraw/zinc/50/67/50/853506750.db2.gz PJXMQVMZOSHWPW-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncn1C ZINC001051004789 853506752 /nfs/dbraw/zinc/50/67/52/853506752.db2.gz PJXMQVMZOSHWPW-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC001051134900 853531748 /nfs/dbraw/zinc/53/17/48/853531748.db2.gz XUSYCBPDBLKIKJ-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1 ZINC001051134900 853531755 /nfs/dbraw/zinc/53/17/55/853531755.db2.gz XUSYCBPDBLKIKJ-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051154358 853533818 /nfs/dbraw/zinc/53/38/18/853533818.db2.gz DNOTXWNROQBGHF-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051154358 853533822 /nfs/dbraw/zinc/53/38/22/853533822.db2.gz DNOTXWNROQBGHF-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC=CC3)C2)CC1 ZINC001052002403 853673653 /nfs/dbraw/zinc/67/36/53/853673653.db2.gz HUUDKDQITXPLMY-MRXNPFEDSA-N 1 2 287.407 0.804 20 30 CCEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052030063 853677295 /nfs/dbraw/zinc/67/72/95/853677295.db2.gz GRRAPHVRNLMZNJ-ZDUSSCGKSA-N 1 2 276.384 0.529 20 30 CCEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052030062 853677625 /nfs/dbraw/zinc/67/76/25/853677625.db2.gz GRRAPHVRNLMZNJ-CYBMUJFWSA-N 1 2 276.384 0.529 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CF)CC3)C2)CC1 ZINC001052082510 853682269 /nfs/dbraw/zinc/68/22/69/853682269.db2.gz TUPABRMRQLMYOF-CQSZACIVSA-N 1 2 293.386 0.588 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001058392527 853837972 /nfs/dbraw/zinc/83/79/72/853837972.db2.gz BEYUISILMZJDJB-CYBMUJFWSA-N 1 2 296.334 0.545 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001068061912 853873699 /nfs/dbraw/zinc/87/36/99/853873699.db2.gz KDSXSGZPGCBPMH-LLVKDONJSA-N 1 2 291.355 0.419 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001069909784 853998832 /nfs/dbraw/zinc/99/88/32/853998832.db2.gz PXULTHKLTGTWFC-CABCVRRESA-N 1 2 299.378 0.753 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001069909784 853998835 /nfs/dbraw/zinc/99/88/35/853998835.db2.gz PXULTHKLTGTWFC-CABCVRRESA-N 1 2 299.378 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070003170 854016178 /nfs/dbraw/zinc/01/61/78/854016178.db2.gz OMNJZTIMVVXROO-FQKPHLNHSA-N 1 2 299.378 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070003170 854016185 /nfs/dbraw/zinc/01/61/85/854016185.db2.gz OMNJZTIMVVXROO-FQKPHLNHSA-N 1 2 299.378 0.299 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001071509192 854225822 /nfs/dbraw/zinc/22/58/22/854225822.db2.gz ZJQBGUOTAQDEIM-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001071509192 854225827 /nfs/dbraw/zinc/22/58/27/854225827.db2.gz ZJQBGUOTAQDEIM-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1CC#N ZINC001072124081 854349251 /nfs/dbraw/zinc/34/92/51/854349251.db2.gz XIUMLYKGHUPEGK-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1ccnc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552535 854414905 /nfs/dbraw/zinc/41/49/05/854414905.db2.gz QDLKTRHBNZYIIG-LBPRGKRZSA-N 1 2 299.378 0.979 20 30 CCEDLO Cc1ccnc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552535 854414907 /nfs/dbraw/zinc/41/49/07/854414907.db2.gz QDLKTRHBNZYIIG-LBPRGKRZSA-N 1 2 299.378 0.979 20 30 CCEDLO C[C@@H](CC(=O)N1CC2(C1)CCN(CC#N)C2)n1cc[nH+]c1 ZINC001073022095 854517180 /nfs/dbraw/zinc/51/71/80/854517180.db2.gz ZXEBBHOBMYYZIR-ZDUSSCGKSA-N 1 2 287.367 0.892 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074118344 854673288 /nfs/dbraw/zinc/67/32/88/854673288.db2.gz GSARPPBZQHUPPO-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074118344 854673299 /nfs/dbraw/zinc/67/32/99/854673299.db2.gz GSARPPBZQHUPPO-STQMWFEESA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 ZINC001074236050 854703211 /nfs/dbraw/zinc/70/32/11/854703211.db2.gz LRZYTGIAANORPC-STQMWFEESA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 ZINC001074236050 854703213 /nfs/dbraw/zinc/70/32/13/854703213.db2.gz LRZYTGIAANORPC-STQMWFEESA-N 1 2 288.351 0.348 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)/C(C)=C/C)C2)nn1 ZINC001098649413 854873424 /nfs/dbraw/zinc/87/34/24/854873424.db2.gz QPUVJTCXPZTIKV-IMBBRHANSA-N 1 2 287.367 0.741 20 30 CCEDLO C#CCCCC(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111466609 854916462 /nfs/dbraw/zinc/91/64/62/854916462.db2.gz BKJKMFIOSGNHLU-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099680828 854964588 /nfs/dbraw/zinc/96/45/88/854964588.db2.gz GXCMWANDJKIVIP-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099680828 854964593 /nfs/dbraw/zinc/96/45/93/854964593.db2.gz GXCMWANDJKIVIP-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C[C@@H]1O ZINC001099726064 854976597 /nfs/dbraw/zinc/97/65/97/854976597.db2.gz DAXOCYQFUHMGMM-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C[C@@H]1O ZINC001099726064 854976602 /nfs/dbraw/zinc/97/66/02/854976602.db2.gz DAXOCYQFUHMGMM-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099828966 855006365 /nfs/dbraw/zinc/00/63/65/855006365.db2.gz BHBNQNNZYLZHMR-RYUDHWBXSA-N 1 2 270.348 0.557 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099828966 855006370 /nfs/dbraw/zinc/00/63/70/855006370.db2.gz BHBNQNNZYLZHMR-RYUDHWBXSA-N 1 2 270.348 0.557 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001100555132 855187724 /nfs/dbraw/zinc/18/77/24/855187724.db2.gz AMXPXLVEIYBWKK-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO Cc1cc(NCCN(C)C(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001101672726 855340231 /nfs/dbraw/zinc/34/02/31/855340231.db2.gz BODVQQYBQNMJEB-UHFFFAOYSA-N 1 2 298.350 0.451 20 30 CCEDLO Cc1nc(N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102702858 855465862 /nfs/dbraw/zinc/46/58/62/855465862.db2.gz ZTYQITVJTZRQHB-ZYHUDNBSSA-N 1 2 273.340 0.982 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1nccnc1C#N ZINC001104053456 855565227 /nfs/dbraw/zinc/56/52/27/855565227.db2.gz ZMELPTOMPYUVAS-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C/C(=C/C(=O)NCC1(C#N)CC1)C[NH+]1CCOCC1 ZINC000888092535 855599183 /nfs/dbraw/zinc/59/91/83/855599183.db2.gz XUVVKBRTXHFRER-WQLSENKSSA-N 1 2 263.341 0.685 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1cn(C[C@H]2CCOC2)nn1 ZINC001119252998 856598342 /nfs/dbraw/zinc/59/83/42/856598342.db2.gz WHIBTKMWBSSWGP-CYBMUJFWSA-N 1 2 278.356 0.396 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1cn(C[C@H]2CCOC2)nn1 ZINC001119252998 856598349 /nfs/dbraw/zinc/59/83/49/856598349.db2.gz WHIBTKMWBSSWGP-CYBMUJFWSA-N 1 2 278.356 0.396 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001119288228 856613501 /nfs/dbraw/zinc/61/35/01/856613501.db2.gz ZJTCMUUHYDFVER-LBPRGKRZSA-N 1 2 275.352 0.965 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001119288228 856613506 /nfs/dbraw/zinc/61/35/06/856613506.db2.gz ZJTCMUUHYDFVER-LBPRGKRZSA-N 1 2 275.352 0.965 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCOCC)C2)nn1 ZINC001323993741 912617100 /nfs/dbraw/zinc/61/71/00/912617100.db2.gz XDEHFLLCCNZLPY-UHFFFAOYSA-N 1 2 293.371 0.257 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001325098555 913210516 /nfs/dbraw/zinc/21/05/16/913210516.db2.gz KANWLYZQZFHSJK-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001325206705 913281682 /nfs/dbraw/zinc/28/16/82/913281682.db2.gz XRISDCOKBJUELO-LBPRGKRZSA-N 1 2 264.329 0.870 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001325224361 913289697 /nfs/dbraw/zinc/28/96/97/913289697.db2.gz DOAMOIFODLHUEK-OLZOCXBDSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCCC#CC)C1 ZINC001325262334 913303871 /nfs/dbraw/zinc/30/38/71/913303871.db2.gz AKLLJMKNXDFKJO-UHFFFAOYSA-N 1 2 262.353 0.366 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1conc1C ZINC001480863371 891409102 /nfs/dbraw/zinc/40/91/02/891409102.db2.gz WUPMIBDNOUYGQQ-LBPRGKRZSA-N 1 2 279.340 0.569 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1conc1C ZINC001480863371 891409110 /nfs/dbraw/zinc/40/91/10/891409110.db2.gz WUPMIBDNOUYGQQ-LBPRGKRZSA-N 1 2 279.340 0.569 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001282700874 891477581 /nfs/dbraw/zinc/47/75/81/891477581.db2.gz PVCKXOCUDGESBJ-GFCCVEGCSA-N 1 2 292.383 0.559 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CO[C@H]1CCOC1 ZINC001480973902 892001904 /nfs/dbraw/zinc/00/19/04/892001904.db2.gz BJNUSOBYTHESKO-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CO[C@H]1CCOC1 ZINC001480973902 892001920 /nfs/dbraw/zinc/00/19/20/892001920.db2.gz BJNUSOBYTHESKO-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481093291 892157590 /nfs/dbraw/zinc/15/75/90/892157590.db2.gz WWHSNZUUQNVJBJ-NEPJUHHUSA-N 1 2 292.339 0.046 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481093291 892157596 /nfs/dbraw/zinc/15/75/96/892157596.db2.gz WWHSNZUUQNVJBJ-NEPJUHHUSA-N 1 2 292.339 0.046 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001481525070 892775078 /nfs/dbraw/zinc/77/50/78/892775078.db2.gz SVOBALSCGDQHTL-JXQTWKCFSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001481525070 892775083 /nfs/dbraw/zinc/77/50/83/892775083.db2.gz SVOBALSCGDQHTL-JXQTWKCFSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001481617512 892910099 /nfs/dbraw/zinc/91/00/99/892910099.db2.gz JUMLMZJTMYWOGM-UHFFFAOYSA-N 1 2 278.356 0.171 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOCC(C)C ZINC001481664381 892980082 /nfs/dbraw/zinc/98/00/82/892980082.db2.gz LFKJJBWDEYTIDC-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOCC(C)C ZINC001481664381 892980102 /nfs/dbraw/zinc/98/01/02/892980102.db2.gz LFKJJBWDEYTIDC-KBPBESRZSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC001326071048 913732892 /nfs/dbraw/zinc/73/28/92/913732892.db2.gz IPKPZDBPEZDTCN-SNVBAGLBSA-N 1 2 251.286 0.507 20 30 CCEDLO C#CCN1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001482201502 893529455 /nfs/dbraw/zinc/52/94/55/893529455.db2.gz YBSHEXJVILGKNE-UONOGXRCSA-N 1 2 290.367 0.284 20 30 CCEDLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269787347 893644281 /nfs/dbraw/zinc/64/42/81/893644281.db2.gz JHMOEKKBKRNDNR-NSHDSACASA-N 1 2 252.358 0.559 20 30 CCEDLO CN(C(=O)C#CC1CC1)C1C[NH+](CCn2cccn2)C1 ZINC001269787808 893645279 /nfs/dbraw/zinc/64/52/79/893645279.db2.gz VJCCNDLRKGQNMR-UHFFFAOYSA-N 1 2 272.352 0.439 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)Cc1nnc[nH]1 ZINC001483081481 894885596 /nfs/dbraw/zinc/88/55/96/894885596.db2.gz ZMYRNHVIZLLABQ-IHWYPQMZSA-N 1 2 269.736 0.362 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001483359280 895502194 /nfs/dbraw/zinc/50/21/94/895502194.db2.gz DKUANEJIILRWTG-QMMMGPOBSA-N 1 2 257.725 0.607 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001483359280 895502203 /nfs/dbraw/zinc/50/22/03/895502203.db2.gz DKUANEJIILRWTG-QMMMGPOBSA-N 1 2 257.725 0.607 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483403041 895543651 /nfs/dbraw/zinc/54/36/51/895543651.db2.gz YCVXSHBOUBVCRC-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483403041 895543657 /nfs/dbraw/zinc/54/36/57/895543657.db2.gz YCVXSHBOUBVCRC-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001077437980 895598697 /nfs/dbraw/zinc/59/86/97/895598697.db2.gz JBJZOIPLSDDSOK-WPLOAARJSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001077437980 895598709 /nfs/dbraw/zinc/59/87/09/895598709.db2.gz JBJZOIPLSDDSOK-WPLOAARJSA-N 1 2 262.353 0.217 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001483578693 895660014 /nfs/dbraw/zinc/66/00/14/895660014.db2.gz AZTDVGUQTLKCGY-LLVKDONJSA-N 1 2 292.387 0.407 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001483640933 895777602 /nfs/dbraw/zinc/77/76/02/895777602.db2.gz CQLYCSNOBMKWED-STQMWFEESA-N 1 2 279.384 0.505 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001483640933 895777619 /nfs/dbraw/zinc/77/76/19/895777619.db2.gz CQLYCSNOBMKWED-STQMWFEESA-N 1 2 279.384 0.505 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001483693176 895870095 /nfs/dbraw/zinc/87/00/95/895870095.db2.gz LABLGCIEQXZMIK-UONOGXRCSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001483693176 895870106 /nfs/dbraw/zinc/87/01/06/895870106.db2.gz LABLGCIEQXZMIK-UONOGXRCSA-N 1 2 279.384 0.361 20 30 CCEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)c2nnc[nH]2)CC1 ZINC001483775998 896045434 /nfs/dbraw/zinc/04/54/34/896045434.db2.gz CHZURKVJJVZSCZ-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1 ZINC001483775998 896045444 /nfs/dbraw/zinc/04/54/44/896045444.db2.gz CHZURKVJJVZSCZ-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1 ZINC001483775998 896045455 /nfs/dbraw/zinc/04/54/55/896045455.db2.gz CHZURKVJJVZSCZ-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484061693 896179060 /nfs/dbraw/zinc/17/90/60/896179060.db2.gz WSSOBLIBYFRTNH-SWLSCSKDSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484061693 896179071 /nfs/dbraw/zinc/17/90/71/896179071.db2.gz WSSOBLIBYFRTNH-SWLSCSKDSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2cccnc2C)C1 ZINC001484295254 896322195 /nfs/dbraw/zinc/32/21/95/896322195.db2.gz PHSCFTLQUWKNLM-UHFFFAOYSA-N 1 2 287.363 0.119 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001484305296 896334196 /nfs/dbraw/zinc/33/41/96/896334196.db2.gz RPVOIFNIEWBRQV-ZDUSSCGKSA-N 1 2 278.396 0.999 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001484434316 896405655 /nfs/dbraw/zinc/40/56/55/896405655.db2.gz HXRCMEWRJYUVIC-OAHLLOKOSA-N 1 2 284.375 0.949 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001484434316 896405663 /nfs/dbraw/zinc/40/56/63/896405663.db2.gz HXRCMEWRJYUVIC-OAHLLOKOSA-N 1 2 284.375 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001484605159 896495031 /nfs/dbraw/zinc/49/50/31/896495031.db2.gz YQSWQOCZTIEDDH-UONOGXRCSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001484605159 896495036 /nfs/dbraw/zinc/49/50/36/896495036.db2.gz YQSWQOCZTIEDDH-UONOGXRCSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001484606266 896495281 /nfs/dbraw/zinc/49/52/81/896495281.db2.gz ZCTUOKAXZJTWBD-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001484606266 896495290 /nfs/dbraw/zinc/49/52/90/896495290.db2.gz ZCTUOKAXZJTWBD-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001484783470 896600888 /nfs/dbraw/zinc/60/08/88/896600888.db2.gz IVEADTMWTZNLPQ-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001484783472 896601069 /nfs/dbraw/zinc/60/10/69/896601069.db2.gz IVEADTMWTZNLPQ-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)OC)CO2 ZINC001484792325 896607555 /nfs/dbraw/zinc/60/75/55/896607555.db2.gz KHRLRQXIDYTASU-OLZOCXBDSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCN1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001326669623 914087639 /nfs/dbraw/zinc/08/76/39/914087639.db2.gz BUIDWXGDFWPYAW-CQSZACIVSA-N 1 2 290.367 0.114 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032380372 897369528 /nfs/dbraw/zinc/36/95/28/897369528.db2.gz ITLWSLMKOIJXAH-RYUDHWBXSA-N 1 2 258.325 0.870 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032380372 897369541 /nfs/dbraw/zinc/36/95/41/897369541.db2.gz ITLWSLMKOIJXAH-RYUDHWBXSA-N 1 2 258.325 0.870 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869946 897401984 /nfs/dbraw/zinc/40/19/84/897401984.db2.gz KVUFNZYTNCRUFV-ZBFHGGJFSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869946 897401997 /nfs/dbraw/zinc/40/19/97/897401997.db2.gz KVUFNZYTNCRUFV-ZBFHGGJFSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001032408439 897477469 /nfs/dbraw/zinc/47/74/69/897477469.db2.gz ROMPXANQSUASBI-AJNGGQMLSA-N 1 2 276.380 0.966 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001032408439 897477476 /nfs/dbraw/zinc/47/74/76/897477476.db2.gz ROMPXANQSUASBI-AJNGGQMLSA-N 1 2 276.380 0.966 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]cnc2c1 ZINC001032428975 897550304 /nfs/dbraw/zinc/55/03/04/897550304.db2.gz WRSXIHWCJXSFJH-STQMWFEESA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]cnc2c1 ZINC001032428975 897550310 /nfs/dbraw/zinc/55/03/10/897550310.db2.gz WRSXIHWCJXSFJH-STQMWFEESA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ncc1C(F)(F)F ZINC001032438933 897563179 /nfs/dbraw/zinc/56/31/79/897563179.db2.gz HVEBBUTUIQRVDN-IUCAKERBSA-N 1 2 298.268 0.960 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ncc1C(F)(F)F ZINC001032438933 897563198 /nfs/dbraw/zinc/56/31/98/897563198.db2.gz HVEBBUTUIQRVDN-IUCAKERBSA-N 1 2 298.268 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCCO2 ZINC001032434240 897570653 /nfs/dbraw/zinc/57/06/53/897570653.db2.gz XQCJMGBOKRNOJF-STQMWFEESA-N 1 2 298.342 0.990 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCCO2 ZINC001032434240 897570670 /nfs/dbraw/zinc/57/06/70/897570670.db2.gz XQCJMGBOKRNOJF-STQMWFEESA-N 1 2 298.342 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ncncc2C1 ZINC001032440861 897571794 /nfs/dbraw/zinc/57/17/94/897571794.db2.gz XWGZOEJBIDRWJN-QEJZJMRPSA-N 1 2 296.374 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ncncc2C1 ZINC001032440861 897571803 /nfs/dbraw/zinc/57/18/03/897571803.db2.gz XWGZOEJBIDRWJN-QEJZJMRPSA-N 1 2 296.374 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2c1CC(=O)N2 ZINC001032497246 897655689 /nfs/dbraw/zinc/65/56/89/897655689.db2.gz LDJWHGDJPAJXDX-QWRGUYRKSA-N 1 2 296.330 0.108 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2c1CC(=O)N2 ZINC001032497246 897655693 /nfs/dbraw/zinc/65/56/93/897655693.db2.gz LDJWHGDJPAJXDX-QWRGUYRKSA-N 1 2 296.330 0.108 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnnc1C ZINC001032501121 897661449 /nfs/dbraw/zinc/66/14/49/897661449.db2.gz VILWPOCARNACGF-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnnc1C ZINC001032501121 897661456 /nfs/dbraw/zinc/66/14/56/897661456.db2.gz VILWPOCARNACGF-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC001032544926 897728407 /nfs/dbraw/zinc/72/84/07/897728407.db2.gz POZOOQKTZABMEU-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC001032544926 897728411 /nfs/dbraw/zinc/72/84/11/897728411.db2.gz POZOOQKTZABMEU-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001032549331 897731734 /nfs/dbraw/zinc/73/17/34/897731734.db2.gz ALGLXKHPAWLAJZ-STQMWFEESA-N 1 2 272.352 0.569 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001032549331 897731739 /nfs/dbraw/zinc/73/17/39/897731739.db2.gz ALGLXKHPAWLAJZ-STQMWFEESA-N 1 2 272.352 0.569 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](CC)C(N)=O)C1 ZINC001032613918 897828302 /nfs/dbraw/zinc/82/83/02/897828302.db2.gz BHCXMPDFIGUHIN-RWMBFGLXSA-N 1 2 291.395 0.892 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](CC)C(N)=O)C1 ZINC001032613918 897828311 /nfs/dbraw/zinc/82/83/11/897828311.db2.gz BHCXMPDFIGUHIN-RWMBFGLXSA-N 1 2 291.395 0.892 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncs1 ZINC001032628531 897847210 /nfs/dbraw/zinc/84/72/10/897847210.db2.gz GFXOTCCDWSCVSG-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncs1 ZINC001032628531 897847216 /nfs/dbraw/zinc/84/72/16/897847216.db2.gz GFXOTCCDWSCVSG-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001043085788 897972290 /nfs/dbraw/zinc/97/22/90/897972290.db2.gz SHGBEBVXKAIEMB-UHFFFAOYSA-N 1 2 288.351 0.052 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001077884714 897996826 /nfs/dbraw/zinc/99/68/26/897996826.db2.gz XFMSRQHIWHLMOW-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001077884714 897996830 /nfs/dbraw/zinc/99/68/30/897996830.db2.gz XFMSRQHIWHLMOW-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCC(=O)N1 ZINC001032753206 898084095 /nfs/dbraw/zinc/08/40/95/898084095.db2.gz KEKWZWLBJFUTLV-RDBSUJKOSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCC(=O)N1 ZINC001032753206 898084111 /nfs/dbraw/zinc/08/41/11/898084111.db2.gz KEKWZWLBJFUTLV-RDBSUJKOSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1OC ZINC001032755030 898101082 /nfs/dbraw/zinc/10/10/82/898101082.db2.gz GGEMAEPRHQJLSS-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1OC ZINC001032755030 898101086 /nfs/dbraw/zinc/10/10/86/898101086.db2.gz GGEMAEPRHQJLSS-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1CC ZINC001032758474 898111907 /nfs/dbraw/zinc/11/19/07/898111907.db2.gz TUBSAPMFTPAFSO-RYUDHWBXSA-N 1 2 272.352 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1CC ZINC001032758474 898111909 /nfs/dbraw/zinc/11/19/09/898111909.db2.gz TUBSAPMFTPAFSO-RYUDHWBXSA-N 1 2 272.352 0.894 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108013199 898112125 /nfs/dbraw/zinc/11/21/25/898112125.db2.gz QLFZVEOMJZJYCD-PIMMBPRGSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108013199 898112128 /nfs/dbraw/zinc/11/21/28/898112128.db2.gz QLFZVEOMJZJYCD-PIMMBPRGSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001077978516 898136702 /nfs/dbraw/zinc/13/67/02/898136702.db2.gz GCPMHBZNKNQJAY-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001077978516 898136710 /nfs/dbraw/zinc/13/67/10/898136710.db2.gz GCPMHBZNKNQJAY-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1nonc1C ZINC001272909333 898153950 /nfs/dbraw/zinc/15/39/50/898153950.db2.gz LTQYVXJLXBDSNR-GFCCVEGCSA-N 1 2 294.355 0.775 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nonc1C ZINC001272909333 898153958 /nfs/dbraw/zinc/15/39/58/898153958.db2.gz LTQYVXJLXBDSNR-GFCCVEGCSA-N 1 2 294.355 0.775 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001077989818 898162971 /nfs/dbraw/zinc/16/29/71/898162971.db2.gz KFPUNCWKZWLSLF-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001077989818 898162973 /nfs/dbraw/zinc/16/29/73/898162973.db2.gz KFPUNCWKZWLSLF-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc[nH]1 ZINC001272918901 898171405 /nfs/dbraw/zinc/17/14/05/898171405.db2.gz TXGZPZISWZJLLF-VXGBXAGGSA-N 1 2 258.325 0.608 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc[nH]1 ZINC001272918901 898171414 /nfs/dbraw/zinc/17/14/14/898171414.db2.gz TXGZPZISWZJLLF-VXGBXAGGSA-N 1 2 258.325 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001078042597 898197663 /nfs/dbraw/zinc/19/76/63/898197663.db2.gz KXMMBCPIVBWVSH-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001078042597 898197671 /nfs/dbraw/zinc/19/76/71/898197671.db2.gz KXMMBCPIVBWVSH-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001078192113 898288947 /nfs/dbraw/zinc/28/89/47/898288947.db2.gz IDVBKVMWIPXVDM-ZIAGYGMSSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001078192113 898288973 /nfs/dbraw/zinc/28/89/73/898288973.db2.gz IDVBKVMWIPXVDM-ZIAGYGMSSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001078240876 898310609 /nfs/dbraw/zinc/31/06/09/898310609.db2.gz MOKUXOSXEQDIMP-HZPDHXFCSA-N 1 2 284.359 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001078240876 898310621 /nfs/dbraw/zinc/31/06/21/898310621.db2.gz MOKUXOSXEQDIMP-HZPDHXFCSA-N 1 2 284.359 0.972 20 30 CCEDLO C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC#N)c1cccnc1 ZINC001032804706 898384964 /nfs/dbraw/zinc/38/49/64/898384964.db2.gz QSXYOAGXHANQLB-KKUMJFAQSA-N 1 2 299.378 0.493 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001410243828 899299283 /nfs/dbraw/zinc/29/92/83/899299283.db2.gz LBCVCUGPKYFENA-WDEREUQCSA-N 1 2 299.334 0.728 20 30 CCEDLO CC(C)[N@@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1C ZINC001193140394 900034510 /nfs/dbraw/zinc/03/45/10/900034510.db2.gz WVZPLZDCBMMWEX-QWRGUYRKSA-N 1 2 259.375 0.643 20 30 CCEDLO CC(C)[N@H+]1CCN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1C ZINC001193140394 900034523 /nfs/dbraw/zinc/03/45/23/900034523.db2.gz WVZPLZDCBMMWEX-QWRGUYRKSA-N 1 2 259.375 0.643 20 30 CCEDLO CC[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1csnn1 ZINC001494940638 900231789 /nfs/dbraw/zinc/23/17/89/900231789.db2.gz FAQPDJARNFESCG-VIFPVBQESA-N 1 2 299.425 0.779 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327224532 914426170 /nfs/dbraw/zinc/42/61/70/914426170.db2.gz BXCCPIIVPKFUGS-ZDUSSCGKSA-N 1 2 289.383 0.749 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001489780554 900519668 /nfs/dbraw/zinc/51/96/68/900519668.db2.gz DKIPCHAOYCQICS-PWSUYJOCSA-N 1 2 289.339 0.171 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)CCCC)CC1 ZINC001490483091 900636683 /nfs/dbraw/zinc/63/66/83/900636683.db2.gz VQSWQQOPLQEIMS-UHFFFAOYSA-N 1 2 265.401 0.934 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001490501647 900644473 /nfs/dbraw/zinc/64/44/73/900644473.db2.gz YPFGXUOTRFMQIE-INIZCTEOSA-N 1 2 298.390 0.584 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)COC)C2)CC1 ZINC001280676822 900910866 /nfs/dbraw/zinc/91/08/66/900910866.db2.gz COXQFTWGMZMSJX-CABCVRRESA-N 1 2 293.411 0.121 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)OCC)O2 ZINC001327343849 914489612 /nfs/dbraw/zinc/48/96/12/914489612.db2.gz JHILIVLMEFCIKE-QWHCGFSZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(C)=O)O2 ZINC001327345821 914491541 /nfs/dbraw/zinc/49/15/41/914491541.db2.gz VTXXWYOVCUWHQD-CYBMUJFWSA-N 1 2 268.357 0.559 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)ccn1 ZINC001412224632 901577843 /nfs/dbraw/zinc/57/78/43/901577843.db2.gz CUOYVKUILFXJOX-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)ccn1 ZINC001412224632 901577856 /nfs/dbraw/zinc/57/78/56/901577856.db2.gz CUOYVKUILFXJOX-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327534256 914597973 /nfs/dbraw/zinc/59/79/73/914597973.db2.gz DIPAVPXPLYFEKT-QWHCGFSZSA-N 1 2 283.372 0.304 20 30 CCEDLO N#Cc1cnccc1C[NH2+]C1(C(N)=O)CCOCC1 ZINC001327550626 914611406 /nfs/dbraw/zinc/61/14/06/914611406.db2.gz YZBMEAHGPRTWAF-UHFFFAOYSA-N 1 2 260.297 0.077 20 30 CCEDLO N#CCC1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC001327745648 902258277 /nfs/dbraw/zinc/25/82/77/902258277.db2.gz AACSTLGVOGZIFE-UHFFFAOYSA-N 1 2 290.367 0.103 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CCCOC1 ZINC001412999559 902458109 /nfs/dbraw/zinc/45/81/09/902458109.db2.gz VKYXJDOFYBAETF-OBJOEFQTSA-N 1 2 281.331 0.561 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CCCOC1 ZINC001412999559 902458121 /nfs/dbraw/zinc/45/81/21/902458121.db2.gz VKYXJDOFYBAETF-OBJOEFQTSA-N 1 2 281.331 0.561 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001491202602 903443759 /nfs/dbraw/zinc/44/37/59/903443759.db2.gz YVXUSQJECTXZCB-CHWSQXEVSA-N 1 2 297.399 0.424 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001491202602 903443763 /nfs/dbraw/zinc/44/37/63/903443763.db2.gz YVXUSQJECTXZCB-CHWSQXEVSA-N 1 2 297.399 0.424 20 30 CCEDLO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001280948329 904179388 /nfs/dbraw/zinc/17/93/88/904179388.db2.gz RJSGWRCWXIUCBC-CYBMUJFWSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCCOCC)CC2)C1 ZINC001281567489 904307410 /nfs/dbraw/zinc/30/74/10/904307410.db2.gz OTYRNBWANDZLLG-UHFFFAOYSA-N 1 2 293.411 0.265 20 30 CCEDLO C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)NCC#N ZINC001281763678 904347035 /nfs/dbraw/zinc/34/70/35/904347035.db2.gz JDIOFYFCQSSROQ-NSHDSACASA-N 1 2 263.345 0.361 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001282743885 904536461 /nfs/dbraw/zinc/53/64/61/904536461.db2.gz JIDMYCHVYRTJNI-YRGRVCCFSA-N 1 2 293.411 0.771 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001284417763 905284066 /nfs/dbraw/zinc/28/40/66/905284066.db2.gz PVFDQUUWCBMEIM-BDAKNGLRSA-N 1 2 286.269 0.872 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001284417763 905284087 /nfs/dbraw/zinc/28/40/87/905284087.db2.gz PVFDQUUWCBMEIM-BDAKNGLRSA-N 1 2 286.269 0.872 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001378061515 905392964 /nfs/dbraw/zinc/39/29/64/905392964.db2.gz GPFBNDFITWPILT-ZJUUUORDSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001378061515 905392982 /nfs/dbraw/zinc/39/29/82/905392982.db2.gz GPFBNDFITWPILT-ZJUUUORDSA-N 1 2 288.779 0.376 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(NCC#N)C1 ZINC001284799931 905436594 /nfs/dbraw/zinc/43/65/94/905436594.db2.gz ZGZOQFUVCPPDAR-ZBOXLXRLSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(NCC#N)C1 ZINC001284799931 905436605 /nfs/dbraw/zinc/43/66/05/905436605.db2.gz ZGZOQFUVCPPDAR-ZBOXLXRLSA-N 1 2 275.356 0.691 20 30 CCEDLO CCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001379113736 906004610 /nfs/dbraw/zinc/00/46/10/906004610.db2.gz ZTWKHLGSOGCNDX-NXEZZACHSA-N 1 2 279.344 0.728 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001379377654 906199746 /nfs/dbraw/zinc/19/97/46/906199746.db2.gz ZNQDOOCFSWRMEL-MWLCHTKSSA-N 1 2 292.339 0.278 20 30 CCEDLO COCC[N@H+](CCF)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001380102507 906637524 /nfs/dbraw/zinc/63/75/24/906637524.db2.gz MZSGFLHFFOPJLR-UHFFFAOYSA-N 1 2 282.319 0.534 20 30 CCEDLO COCC[N@@H+](CCF)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001380102507 906637531 /nfs/dbraw/zinc/63/75/31/906637531.db2.gz MZSGFLHFFOPJLR-UHFFFAOYSA-N 1 2 282.319 0.534 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001381537019 907276371 /nfs/dbraw/zinc/27/63/71/907276371.db2.gz YFXKRYUOGDXOQG-QWRGUYRKSA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001381537019 907276390 /nfs/dbraw/zinc/27/63/90/907276390.db2.gz YFXKRYUOGDXOQG-QWRGUYRKSA-N 1 2 287.791 0.654 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382188795 907607112 /nfs/dbraw/zinc/60/71/12/907607112.db2.gz JLDSMZQIQFRBCI-UWVGGRQHSA-N 1 2 277.328 0.075 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001382203481 907617273 /nfs/dbraw/zinc/61/72/73/907617273.db2.gz CHSRDLJGBITGTF-NKWVEPMBSA-N 1 2 292.660 0.706 20 30 CCEDLO C[N@H+](CCNC(=O)C1CCC(F)CC1)CC(=O)NCC#N ZINC001317460475 908256626 /nfs/dbraw/zinc/25/66/26/908256626.db2.gz XCCJWZHRVPNPPH-UHFFFAOYSA-N 1 2 298.362 0.202 20 30 CCEDLO C[N@@H+](CCNC(=O)C1CCC(F)CC1)CC(=O)NCC#N ZINC001317460475 908256647 /nfs/dbraw/zinc/25/66/47/908256647.db2.gz XCCJWZHRVPNPPH-UHFFFAOYSA-N 1 2 298.362 0.202 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001385611479 908468211 /nfs/dbraw/zinc/46/82/11/908468211.db2.gz JUSYNJLHVINBKO-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C(C)C ZINC001317445053 909215056 /nfs/dbraw/zinc/21/50/56/909215056.db2.gz QDUKKQYCWATSDE-OAHLLOKOSA-N 1 2 299.415 0.228 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N(C)C(C)C ZINC001317445053 909215070 /nfs/dbraw/zinc/21/50/70/909215070.db2.gz QDUKKQYCWATSDE-OAHLLOKOSA-N 1 2 299.415 0.228 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCCC1(C)C)CC(=O)NCC#N ZINC001317457098 909232252 /nfs/dbraw/zinc/23/22/52/909232252.db2.gz RSIMOKOBSGEGNT-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCC1(C)C)CC(=O)NCC#N ZINC001317457098 909232267 /nfs/dbraw/zinc/23/22/67/909232267.db2.gz RSIMOKOBSGEGNT-LBPRGKRZSA-N 1 2 294.399 0.500 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520497 909283670 /nfs/dbraw/zinc/28/36/70/909283670.db2.gz NDEAKTORILWPDT-RKDXNWHRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520497 909283682 /nfs/dbraw/zinc/28/36/82/909283682.db2.gz NDEAKTORILWPDT-RKDXNWHRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001317520497 909283691 /nfs/dbraw/zinc/28/36/91/909283691.db2.gz NDEAKTORILWPDT-RKDXNWHRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001317520497 909283703 /nfs/dbraw/zinc/28/37/03/909283703.db2.gz NDEAKTORILWPDT-RKDXNWHRSA-N 1 2 266.238 0.958 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cc[nH+]c1 ZINC001388176786 909403846 /nfs/dbraw/zinc/40/38/46/909403846.db2.gz UBRBDJIWRPRBOY-GHMZBOCLSA-N 1 2 277.328 0.054 20 30 CCEDLO C#CC[NH2+][C@@H](CNC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC001317716189 909477242 /nfs/dbraw/zinc/47/72/42/909477242.db2.gz XYPAKHSKXQDUCL-AWEZNQCLSA-N 1 2 297.362 0.818 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001317979789 909558430 /nfs/dbraw/zinc/55/84/30/909558430.db2.gz WXJFISLOSWRBSW-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001317979789 909558443 /nfs/dbraw/zinc/55/84/43/909558443.db2.gz WXJFISLOSWRBSW-AWEZNQCLSA-N 1 2 293.411 0.897 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCC(=O)NCC)C1 ZINC001318010837 909574383 /nfs/dbraw/zinc/57/43/83/909574383.db2.gz YVSDLKJVTKQQOO-UHFFFAOYSA-N 1 2 253.346 0.279 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001318049104 909593701 /nfs/dbraw/zinc/59/37/01/909593701.db2.gz XJPGCDHEEGBYFR-CYBMUJFWSA-N 1 2 278.356 0.484 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COC[C@@H]2CCCO2)C1 ZINC001318098651 909618603 /nfs/dbraw/zinc/61/86/03/909618603.db2.gz PWMVGJRYJCDISY-ZDUSSCGKSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001318240874 909673929 /nfs/dbraw/zinc/67/39/29/909673929.db2.gz RDRBVUFGIKMBAP-CFNZNRNTSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001318240874 909673935 /nfs/dbraw/zinc/67/39/35/909673935.db2.gz RDRBVUFGIKMBAP-CFNZNRNTSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001318277112 909685448 /nfs/dbraw/zinc/68/54/48/909685448.db2.gz VWCKNZASWFRXAW-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001318277112 909685457 /nfs/dbraw/zinc/68/54/57/909685457.db2.gz VWCKNZASWFRXAW-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](F)CC)C1 ZINC001318477799 909776473 /nfs/dbraw/zinc/77/64/73/909776473.db2.gz IIQZCLWSBYRVAE-QWHCGFSZSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](F)CC)C1 ZINC001318477799 909776478 /nfs/dbraw/zinc/77/64/78/909776478.db2.gz IIQZCLWSBYRVAE-QWHCGFSZSA-N 1 2 299.390 0.960 20 30 CCEDLO COc1nccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001389454929 909905195 /nfs/dbraw/zinc/90/51/95/909905195.db2.gz REVDOVXELBKPEM-PWSUYJOCSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1nccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001389454929 909905211 /nfs/dbraw/zinc/90/52/11/909905211.db2.gz REVDOVXELBKPEM-PWSUYJOCSA-N 1 2 289.339 0.335 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001319304495 910084924 /nfs/dbraw/zinc/08/49/24/910084924.db2.gz ICEWWGUYHSONRN-JSGCOSHPSA-N 1 2 268.357 0.317 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001319304495 910084938 /nfs/dbraw/zinc/08/49/38/910084938.db2.gz ICEWWGUYHSONRN-JSGCOSHPSA-N 1 2 268.357 0.317 20 30 CCEDLO C#CCC[NH+]1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319851026 910321173 /nfs/dbraw/zinc/32/11/73/910321173.db2.gz KTJOMVKZTZHZQC-CQSZACIVSA-N 1 2 284.425 0.452 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001320054757 910438778 /nfs/dbraw/zinc/43/87/78/910438778.db2.gz VEIRDJMFIDHCAH-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1csnn1 ZINC001320215093 910528473 /nfs/dbraw/zinc/52/84/73/910528473.db2.gz BUMWSRKSDPAAFB-GHMZBOCLSA-N 1 2 296.396 0.325 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001390869633 910742869 /nfs/dbraw/zinc/74/28/69/910742869.db2.gz VCZGBZUQVYBHIO-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001390869633 910742881 /nfs/dbraw/zinc/74/28/81/910742881.db2.gz VCZGBZUQVYBHIO-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CNC(=O)OC ZINC001390879526 910755475 /nfs/dbraw/zinc/75/54/75/910755475.db2.gz ISYYUSSHZFVELX-UHFFFAOYSA-N 1 2 277.752 0.533 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CNC(=O)OC ZINC001390879526 910755485 /nfs/dbraw/zinc/75/54/85/910755485.db2.gz ISYYUSSHZFVELX-UHFFFAOYSA-N 1 2 277.752 0.533 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001320774146 910861071 /nfs/dbraw/zinc/86/10/71/910861071.db2.gz XPKOWPOYHMKOQR-GARJFASQSA-N 1 2 267.329 0.202 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001320774146 910861078 /nfs/dbraw/zinc/86/10/78/910861078.db2.gz XPKOWPOYHMKOQR-GARJFASQSA-N 1 2 267.329 0.202 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001391504638 911180508 /nfs/dbraw/zinc/18/05/08/911180508.db2.gz PJNMDTKPIQHCNS-ZYHUDNBSSA-N 1 2 299.802 0.702 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 ZINC001391613792 911264204 /nfs/dbraw/zinc/26/42/04/911264204.db2.gz MZLBPLKFPOVMSR-QWRGUYRKSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 ZINC001391613792 911264220 /nfs/dbraw/zinc/26/42/20/911264220.db2.gz MZLBPLKFPOVMSR-QWRGUYRKSA-N 1 2 292.339 0.876 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)o1 ZINC001322618798 911886065 /nfs/dbraw/zinc/88/60/65/911886065.db2.gz HPBDYFMHWRPTAD-UHFFFAOYSA-N 1 2 267.310 0.301 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001323190939 912167096 /nfs/dbraw/zinc/16/70/96/912167096.db2.gz GLLNQMGIPMJZTA-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001323190939 912167110 /nfs/dbraw/zinc/16/71/10/912167110.db2.gz GLLNQMGIPMJZTA-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC1 ZINC001339529246 921751336 /nfs/dbraw/zinc/75/13/36/921751336.db2.gz GRVXIJZSBXQIBH-NEPJUHHUSA-N 1 2 277.372 0.802 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC1 ZINC001339529246 921751350 /nfs/dbraw/zinc/75/13/50/921751350.db2.gz GRVXIJZSBXQIBH-NEPJUHHUSA-N 1 2 277.372 0.802 20 30 CCEDLO CCC(=O)N1CCC2(CC1)C[N@H+](CC#CCOC)CCO2 ZINC001328485287 915227111 /nfs/dbraw/zinc/22/71/11/915227111.db2.gz IELYHZNMHILZPM-UHFFFAOYSA-N 1 2 294.395 0.740 20 30 CCEDLO CCC(=O)N1CCC2(CC1)C[N@@H+](CC#CCOC)CCO2 ZINC001328485287 915227125 /nfs/dbraw/zinc/22/71/25/915227125.db2.gz IELYHZNMHILZPM-UHFFFAOYSA-N 1 2 294.395 0.740 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc(C#N)nc1 ZINC001328937881 915531040 /nfs/dbraw/zinc/53/10/40/915531040.db2.gz WRRLVDAXIMUULW-UHFFFAOYSA-N 1 2 269.308 0.588 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001400297628 915669546 /nfs/dbraw/zinc/66/95/46/915669546.db2.gz ARCKGYAJKVYMTH-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001400297628 915669554 /nfs/dbraw/zinc/66/95/54/915669554.db2.gz ARCKGYAJKVYMTH-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2ccnn2C)C1 ZINC001329998654 916346805 /nfs/dbraw/zinc/34/68/05/916346805.db2.gz UJPBNRANCKWQFA-GFCCVEGCSA-N 1 2 286.379 0.770 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC001330559143 916699621 /nfs/dbraw/zinc/69/96/21/916699621.db2.gz LIFRFHSVYOJHIC-NSHDSACASA-N 1 2 286.353 0.704 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC001330559143 916699627 /nfs/dbraw/zinc/69/96/27/916699627.db2.gz LIFRFHSVYOJHIC-NSHDSACASA-N 1 2 286.353 0.704 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC001402791402 917224592 /nfs/dbraw/zinc/22/45/92/917224592.db2.gz CYYINMPFSSZBNJ-ZYHUDNBSSA-N 1 2 291.355 0.946 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC001402791402 917224600 /nfs/dbraw/zinc/22/46/00/917224600.db2.gz CYYINMPFSSZBNJ-ZYHUDNBSSA-N 1 2 291.355 0.946 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001331911900 917709362 /nfs/dbraw/zinc/70/93/62/917709362.db2.gz SCLYFSRBMDPALP-LBPRGKRZSA-N 1 2 261.325 0.821 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2nc[nH]n2)C1 ZINC001332031898 917812743 /nfs/dbraw/zinc/81/27/43/917812743.db2.gz GQBZKMNRBWYZII-NSHDSACASA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2nc[nH]n2)C1 ZINC001332031898 917812750 /nfs/dbraw/zinc/81/27/50/917812750.db2.gz GQBZKMNRBWYZII-NSHDSACASA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC001332031898 917812758 /nfs/dbraw/zinc/81/27/58/917812758.db2.gz GQBZKMNRBWYZII-NSHDSACASA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC001332031898 917812769 /nfs/dbraw/zinc/81/27/69/917812769.db2.gz GQBZKMNRBWYZII-NSHDSACASA-N 1 2 276.344 0.044 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001404701414 918433189 /nfs/dbraw/zinc/43/31/89/918433189.db2.gz PBFOAPBBMNUTDP-RYUDHWBXSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001404701414 918433195 /nfs/dbraw/zinc/43/31/95/918433195.db2.gz PBFOAPBBMNUTDP-RYUDHWBXSA-N 1 2 292.383 0.347 20 30 CCEDLO C=C(C)Cn1nnnc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001332945101 918553875 /nfs/dbraw/zinc/55/38/75/918553875.db2.gz VXXVJPXZPVJGPZ-ZDUSSCGKSA-N 1 2 292.387 0.550 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001333761788 919144735 /nfs/dbraw/zinc/14/47/35/919144735.db2.gz UYBYNJINGGCOFY-ZDUSSCGKSA-N 1 2 288.351 0.404 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408498478 920206332 /nfs/dbraw/zinc/20/63/32/920206332.db2.gz ZRSSHSSULXISGE-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC001336258796 920691106 /nfs/dbraw/zinc/69/11/06/920691106.db2.gz KPULVMJTKAGUBP-STQMWFEESA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001415602120 920777414 /nfs/dbraw/zinc/77/74/14/920777414.db2.gz QCWIJBDFWJFBSW-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001418484399 922167296 /nfs/dbraw/zinc/16/72/96/922167296.db2.gz XZXHKXCDJOKNAZ-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001418484399 922167303 /nfs/dbraw/zinc/16/73/03/922167303.db2.gz XZXHKXCDJOKNAZ-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001419075370 922620967 /nfs/dbraw/zinc/62/09/67/922620967.db2.gz MCXRNVABDXUUEF-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001419075370 922620976 /nfs/dbraw/zinc/62/09/76/922620976.db2.gz MCXRNVABDXUUEF-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO CC(C)c1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001419721989 923039955 /nfs/dbraw/zinc/03/99/55/923039955.db2.gz RKJIRNBSNAFOAK-UWVGGRQHSA-N 1 2 279.344 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1=O ZINC001343797783 923473119 /nfs/dbraw/zinc/47/31/19/923473119.db2.gz XAIJKLDHCNYAAP-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1=O ZINC001343797783 923473130 /nfs/dbraw/zinc/47/31/30/923473130.db2.gz XAIJKLDHCNYAAP-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C[C@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001344775383 923685305 /nfs/dbraw/zinc/68/53/05/923685305.db2.gz ZJYUATQLAIALKF-XQQFMLRXSA-N 1 2 269.341 0.984 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001420509204 923725895 /nfs/dbraw/zinc/72/58/95/923725895.db2.gz VFJOFCIUSRZSAV-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001420509204 923725908 /nfs/dbraw/zinc/72/59/08/923725908.db2.gz VFJOFCIUSRZSAV-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CC[NH+]1CCC(OC(=O)CCCS(C)(=O)=O)CC1 ZINC001344942349 923739547 /nfs/dbraw/zinc/73/95/47/923739547.db2.gz MLSDVDINQMSBSI-UHFFFAOYSA-N 1 2 287.381 0.452 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001420558732 923778788 /nfs/dbraw/zinc/77/87/88/923778788.db2.gz IHSKXLIQYYCUDL-WDEREUQCSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001420558732 923778798 /nfs/dbraw/zinc/77/87/98/923778798.db2.gz IHSKXLIQYYCUDL-WDEREUQCSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001420580132 923799838 /nfs/dbraw/zinc/79/98/38/923799838.db2.gz ZUUQCDFWUQFXKV-SNVBAGLBSA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001420580132 923799843 /nfs/dbraw/zinc/79/98/43/923799843.db2.gz ZUUQCDFWUQFXKV-SNVBAGLBSA-N 1 2 287.791 0.654 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001346199046 924106600 /nfs/dbraw/zinc/10/66/00/924106600.db2.gz LIQLMFRXOVWINB-STQMWFEESA-N 1 2 295.383 0.721 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001346199046 924106602 /nfs/dbraw/zinc/10/66/02/924106602.db2.gz LIQLMFRXOVWINB-STQMWFEESA-N 1 2 295.383 0.721 20 30 CCEDLO C=CCC1(O)CN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC001347792107 924538881 /nfs/dbraw/zinc/53/88/81/924538881.db2.gz FVLIYUONSKQUQL-LCYFTJDESA-N 1 2 280.368 0.414 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001479947802 924901657 /nfs/dbraw/zinc/90/16/57/924901657.db2.gz KSSAOXMKHZSYJU-KOLCDFICSA-N 1 2 262.313 0.833 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001479947802 924901663 /nfs/dbraw/zinc/90/16/63/924901663.db2.gz KSSAOXMKHZSYJU-KOLCDFICSA-N 1 2 262.313 0.833 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NCCNC(=O)[C@@H](C)C#N ZINC001349248777 924916182 /nfs/dbraw/zinc/91/61/82/924916182.db2.gz QFWPVMKGTHCTQB-JTQLQIEISA-N 1 2 290.323 0.025 20 30 CCEDLO C=CC[C@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OCC ZINC001349625560 925007312 /nfs/dbraw/zinc/00/73/12/925007312.db2.gz OKDYRCBMGFOURW-QWRGUYRKSA-N 1 2 254.330 0.753 20 30 CCEDLO N#CCCOCCN1CC[NH+](CCc2cnccn2)CC1 ZINC001349677511 925023326 /nfs/dbraw/zinc/02/33/26/925023326.db2.gz WPBBMLYIAADFQD-UHFFFAOYSA-N 1 2 289.383 0.567 20 30 CCEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001350304183 925166919 /nfs/dbraw/zinc/16/69/19/925166919.db2.gz MIJCQKXLRZDUSF-BETUJISGSA-N 1 2 277.368 0.470 20 30 CCEDLO C=C(CC)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001351188615 925381340 /nfs/dbraw/zinc/38/13/40/925381340.db2.gz UUZKCNBOJSFJLX-CYBMUJFWSA-N 1 2 268.405 0.888 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352901598 925669011 /nfs/dbraw/zinc/66/90/11/925669011.db2.gz LHHKLIOVAPEYSV-NEPJUHHUSA-N 1 2 277.372 0.495 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001352901598 925669016 /nfs/dbraw/zinc/66/90/16/925669016.db2.gz LHHKLIOVAPEYSV-NEPJUHHUSA-N 1 2 277.372 0.495 20 30 CCEDLO C=CCn1nnnc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001354290710 926072284 /nfs/dbraw/zinc/07/22/84/926072284.db2.gz BLKIGXDFGBCODS-GFCCVEGCSA-N 1 2 278.360 0.160 20 30 CCEDLO C=CCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001358673667 926786633 /nfs/dbraw/zinc/78/66/33/926786633.db2.gz DUMLZVJNDJOEJL-UHFFFAOYSA-N 1 2 276.340 0.614 20 30 CCEDLO N#CCn1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001361870154 927407110 /nfs/dbraw/zinc/40/71/10/927407110.db2.gz PJUNHYWKDXPIBB-SNVBAGLBSA-N 1 2 270.296 0.804 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2cnon2)CC1 ZINC001426184679 928784893 /nfs/dbraw/zinc/78/48/93/928784893.db2.gz MZVOUBKRGLUWAC-WDEREUQCSA-N 1 2 291.355 0.946 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426771725 928914377 /nfs/dbraw/zinc/91/43/77/928914377.db2.gz AENUZWLJEALCOQ-NEPJUHHUSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCNC(N)=O)C1CC1 ZINC001372895157 930003454 /nfs/dbraw/zinc/00/34/54/930003454.db2.gz IRQQTEJXCQMMNF-UHFFFAOYSA-N 1 2 288.779 0.378 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CCNC(N)=O)C1CC1 ZINC001372895157 930003467 /nfs/dbraw/zinc/00/34/67/930003467.db2.gz IRQQTEJXCQMMNF-UHFFFAOYSA-N 1 2 288.779 0.378 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(CC2CC2)no1)NC(=O)[C@@H](C)C#N ZINC001445357996 930114866 /nfs/dbraw/zinc/11/48/66/930114866.db2.gz VMQHHAFWRPWECN-VHSXEESVSA-N 1 2 291.355 0.776 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCc1cnn[nH]1)C1CC1 ZINC001445991779 930300965 /nfs/dbraw/zinc/30/09/65/930300965.db2.gz UVYITMKSCMNHCH-GFCCVEGCSA-N 1 2 297.790 0.974 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001446776337 930483383 /nfs/dbraw/zinc/48/33/83/930483383.db2.gz ZYUKNDMTTOIXBB-ZDUSSCGKSA-N 1 2 298.774 0.637 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001446776337 930483392 /nfs/dbraw/zinc/48/33/92/930483392.db2.gz ZYUKNDMTTOIXBB-ZDUSSCGKSA-N 1 2 298.774 0.637 20 30 CCEDLO C=C(Cl)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001448209493 930850714 /nfs/dbraw/zinc/85/07/14/930850714.db2.gz MHQSFSXDTNHADH-UHFFFAOYSA-N 1 2 298.774 0.189 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001376143249 931066483 /nfs/dbraw/zinc/06/64/83/931066483.db2.gz ZRROKLZWAGENTH-PSASIEDQSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001376143249 931066492 /nfs/dbraw/zinc/06/64/92/931066492.db2.gz ZRROKLZWAGENTH-PSASIEDQSA-N 1 2 273.764 0.441 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000599559507 361738325 /nfs/dbraw/zinc/73/83/25/361738325.db2.gz WXLWDYREACDSGM-CQSZACIVSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599559507 361738327 /nfs/dbraw/zinc/73/83/27/361738327.db2.gz WXLWDYREACDSGM-CQSZACIVSA-N 1 2 275.308 0.717 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1Cl ZINC000093092625 349525934 /nfs/dbraw/zinc/52/59/34/349525934.db2.gz FIHYHMNBCOQFLZ-TXEJJXNPSA-N 1 2 295.726 0.188 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1Cl ZINC000093092625 349525935 /nfs/dbraw/zinc/52/59/35/349525935.db2.gz FIHYHMNBCOQFLZ-TXEJJXNPSA-N 1 2 295.726 0.188 20 30 CCEDLO N#CCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093260637 349534617 /nfs/dbraw/zinc/53/46/17/349534617.db2.gz BUBWIMLCNFPAJM-UHFFFAOYSA-N 1 2 274.324 0.937 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093531447 349546931 /nfs/dbraw/zinc/54/69/31/349546931.db2.gz TUQCUXBPRZRAKM-JTQLQIEISA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093531447 349546932 /nfs/dbraw/zinc/54/69/32/349546932.db2.gz TUQCUXBPRZRAKM-JTQLQIEISA-N 1 2 285.394 0.743 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000337901437 214306190 /nfs/dbraw/zinc/30/61/90/214306190.db2.gz QOAQPLSLCLDQHT-AWEZNQCLSA-N 1 2 284.363 0.596 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000600421366 361956662 /nfs/dbraw/zinc/95/66/62/361956662.db2.gz NHGJNEONVHOILF-JTQLQIEISA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000600421366 361956665 /nfs/dbraw/zinc/95/66/65/361956665.db2.gz NHGJNEONVHOILF-JTQLQIEISA-N 1 2 277.299 0.758 20 30 CCEDLO N#Cc1nc(N[C@H](CO)C[NH+]2CCOCC2)ccc1Cl ZINC000601177548 362167120 /nfs/dbraw/zinc/16/71/20/362167120.db2.gz WMQQBXADBISQOS-JTQLQIEISA-N 1 2 296.758 0.134 20 30 CCEDLO N#Cc1cccnc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177046 362167464 /nfs/dbraw/zinc/16/74/64/362167464.db2.gz QARVWWYVCHPGLU-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO Cc1cc(NC2CN(c3ccncn3)C2)c(C#N)c[nH+]1 ZINC000601250042 362189401 /nfs/dbraw/zinc/18/94/01/362189401.db2.gz JIDZBWMXPRKNEE-UHFFFAOYSA-N 1 2 266.308 0.774 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000601638156 362335809 /nfs/dbraw/zinc/33/58/09/362335809.db2.gz FEKUQSUREBIJTB-QMMMGPOBSA-N 1 2 256.269 0.101 20 30 CCEDLO C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1CCCCCC1 ZINC000601639065 362336369 /nfs/dbraw/zinc/33/63/69/362336369.db2.gz GXFIKRXLICFPFL-JTQLQIEISA-N 1 2 261.329 0.906 20 30 CCEDLO N#Cc1cccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000601943485 362432094 /nfs/dbraw/zinc/43/20/94/362432094.db2.gz FGDFLBMQBZEODC-LBPRGKRZSA-N 1 2 254.293 0.866 20 30 CCEDLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)CC1(C#N)CC1 ZINC000601956101 362437916 /nfs/dbraw/zinc/43/79/16/362437916.db2.gz DPEFWJQLJPQQLF-VIFPVBQESA-N 1 2 272.312 0.923 20 30 CCEDLO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(F)c2C#N)C1=O ZINC000602022108 362461477 /nfs/dbraw/zinc/46/14/77/362461477.db2.gz WKAFNCLJOQOYFA-LBPRGKRZSA-N 1 2 275.283 0.934 20 30 CCEDLO CN1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1=O ZINC000330106347 530060038 /nfs/dbraw/zinc/06/00/38/530060038.db2.gz KTVZKBGACMRQNC-JTQLQIEISA-N 1 2 250.302 0.851 20 30 CCEDLO C=CCOC[C@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(=O)OC ZINC000602144808 362523034 /nfs/dbraw/zinc/52/30/34/362523034.db2.gz ZPQJPUWFVZBSEF-NSHDSACASA-N 1 2 295.339 0.375 20 30 CCEDLO CC(C)C[C@@H](C(=O)NCC(=O)NCC#N)n1cc[nH+]c1 ZINC000602152224 362528045 /nfs/dbraw/zinc/52/80/45/362528045.db2.gz KHGARWFJIMMSJA-NSHDSACASA-N 1 2 277.328 0.226 20 30 CCEDLO C=CCSCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602237756 362566095 /nfs/dbraw/zinc/56/60/95/362566095.db2.gz BJFIDABZWPHZCG-UHFFFAOYSA-N 1 2 282.369 0.404 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(C#N)nc1 ZINC000602331448 362588793 /nfs/dbraw/zinc/58/87/93/362588793.db2.gz DIUZRQQNUORAHP-CQSZACIVSA-N 1 2 271.324 0.456 20 30 CCEDLO C[C@H](C(=O)NCC1(C#N)CCCCC1)N1CC[NH2+]CC1=O ZINC000602522932 362655539 /nfs/dbraw/zinc/65/55/39/362655539.db2.gz VZLAXVUOESGIPH-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO C[C@@H](C(=O)NCC1(C#N)CCCCC1)N1CC[NH2+]CC1=O ZINC000602522933 362655569 /nfs/dbraw/zinc/65/55/69/362655569.db2.gz VZLAXVUOESGIPH-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000602611287 362713154 /nfs/dbraw/zinc/71/31/54/362713154.db2.gz LWSGBNYMGHBSHX-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)n1 ZINC000602611287 362713159 /nfs/dbraw/zinc/71/31/59/362713159.db2.gz LWSGBNYMGHBSHX-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO COC(=O)c1[nH]c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000602695072 362755636 /nfs/dbraw/zinc/75/56/36/362755636.db2.gz CLQOJOXWJLMSST-CQSZACIVSA-N 1 2 277.324 0.960 20 30 CCEDLO COC(=O)c1[nH]c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000602695072 362755644 /nfs/dbraw/zinc/75/56/44/362755644.db2.gz CLQOJOXWJLMSST-CQSZACIVSA-N 1 2 277.324 0.960 20 30 CCEDLO CN(C)c1ncc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000602748898 362782173 /nfs/dbraw/zinc/78/21/73/362782173.db2.gz VTZKCZXTADTZAF-UHFFFAOYSA-N 1 2 274.372 0.574 20 30 CCEDLO COCCNC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602757439 362787577 /nfs/dbraw/zinc/78/75/77/362787577.db2.gz DPNWUTWLRYMCBI-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO CN(C)C(=O)CCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602786006 362800288 /nfs/dbraw/zinc/80/02/88/362800288.db2.gz MKDRWOPKZSSFPE-UHFFFAOYSA-N 1 2 278.400 0.776 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602849749 362837987 /nfs/dbraw/zinc/83/79/87/362837987.db2.gz NJFGNZYCMIAGQW-PHIMTYICSA-N 1 2 292.343 0.746 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602849749 362837991 /nfs/dbraw/zinc/83/79/91/362837991.db2.gz NJFGNZYCMIAGQW-PHIMTYICSA-N 1 2 292.343 0.746 20 30 CCEDLO CCn1nncc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851354 362839538 /nfs/dbraw/zinc/83/95/38/362839538.db2.gz VPILOPMIYCMSDW-VXGBXAGGSA-N 1 2 262.361 0.716 20 30 CCEDLO CCN1OC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602853314 362840504 /nfs/dbraw/zinc/84/05/04/362840504.db2.gz HRHOMAZWEQINKY-GRYCIOLGSA-N 1 2 266.345 0.067 20 30 CCEDLO CCN1OC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602853314 362840507 /nfs/dbraw/zinc/84/05/07/362840507.db2.gz HRHOMAZWEQINKY-GRYCIOLGSA-N 1 2 266.345 0.067 20 30 CCEDLO CCCCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855365 362842245 /nfs/dbraw/zinc/84/22/45/362842245.db2.gz HHIPKWJYFBKWFR-CHWSQXEVSA-N 1 2 266.389 0.821 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)C[C@H](C)N1CC#N ZINC000602856303 362843554 /nfs/dbraw/zinc/84/35/54/362843554.db2.gz YRHUQHJILULABC-PHIMTYICSA-N 1 2 260.345 0.307 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)C[C@H](C)N1CC#N ZINC000602856303 362843557 /nfs/dbraw/zinc/84/35/57/362843557.db2.gz YRHUQHJILULABC-PHIMTYICSA-N 1 2 260.345 0.307 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H](C)N1CC#N ZINC000602856917 362844238 /nfs/dbraw/zinc/84/42/38/362844238.db2.gz MTLLTGOBSABPNH-STQMWFEESA-N 1 2 290.367 0.814 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602862467 362847714 /nfs/dbraw/zinc/84/77/14/362847714.db2.gz DDBMGAKUXBSOGT-QWRGUYRKSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602862467 362847723 /nfs/dbraw/zinc/84/77/23/362847723.db2.gz DDBMGAKUXBSOGT-QWRGUYRKSA-N 1 2 252.314 0.943 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000602867969 362850708 /nfs/dbraw/zinc/85/07/08/362850708.db2.gz GENGYMCGUATLLV-ZYHUDNBSSA-N 1 2 251.330 0.516 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000032539954 348134454 /nfs/dbraw/zinc/13/44/54/348134454.db2.gz KYWIXRGCODFDRP-CQSZACIVSA-N 1 2 275.356 0.660 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000032539954 348134455 /nfs/dbraw/zinc/13/44/55/348134455.db2.gz KYWIXRGCODFDRP-CQSZACIVSA-N 1 2 275.356 0.660 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000034651133 348151555 /nfs/dbraw/zinc/15/15/55/348151555.db2.gz KNPITFVYRZKGDN-UHFFFAOYSA-N 1 2 279.365 0.884 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000041776142 348259289 /nfs/dbraw/zinc/25/92/89/348259289.db2.gz KYEYLQWIVAZZSM-UHFFFAOYSA-N 1 2 290.392 0.983 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000602895792 362870853 /nfs/dbraw/zinc/87/08/53/362870853.db2.gz FCJCOXLWLXIKTA-UKRRQHHQSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000602895792 362870858 /nfs/dbraw/zinc/87/08/58/362870858.db2.gz FCJCOXLWLXIKTA-UKRRQHHQSA-N 1 2 292.335 0.603 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000602899738 362874527 /nfs/dbraw/zinc/87/45/27/362874527.db2.gz RMFHFECVRRTFFP-MWLCHTKSSA-N 1 2 253.327 0.332 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000602899738 362874532 /nfs/dbraw/zinc/87/45/32/362874532.db2.gz RMFHFECVRRTFFP-MWLCHTKSSA-N 1 2 253.327 0.332 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cn1 ZINC000346744954 137303573 /nfs/dbraw/zinc/30/35/73/137303573.db2.gz WLDDQWAASIUECT-UHFFFAOYSA-N 1 2 298.350 0.578 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000602922034 362887010 /nfs/dbraw/zinc/88/70/10/362887010.db2.gz KJUVVKSKBDHTCY-UHFFFAOYSA-N 1 2 287.323 0.402 20 30 CCEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000045915520 348345598 /nfs/dbraw/zinc/34/55/98/348345598.db2.gz QBYIRUMHTFJQQU-ZDUSSCGKSA-N 1 2 266.389 0.822 20 30 CCEDLO CN(C)c1ccc(CNC(=O)c2cnn(C)c2C#N)c[nH+]1 ZINC000347099967 137319973 /nfs/dbraw/zinc/31/99/73/137319973.db2.gz JSWCDHQQBMKVOY-UHFFFAOYSA-N 1 2 284.323 0.683 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974120 362916113 /nfs/dbraw/zinc/91/61/13/362916113.db2.gz KALXESWAWPCEPC-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974120 362916118 /nfs/dbraw/zinc/91/61/18/362916118.db2.gz KALXESWAWPCEPC-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975111 362918745 /nfs/dbraw/zinc/91/87/45/362918745.db2.gz YMQUAXJIAXMOIJ-SDDRHHMPSA-N 1 2 296.371 0.471 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975111 362918750 /nfs/dbraw/zinc/91/87/50/362918750.db2.gz YMQUAXJIAXMOIJ-SDDRHHMPSA-N 1 2 296.371 0.471 20 30 CCEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC#N)cn1 ZINC000602939713 362900592 /nfs/dbraw/zinc/90/05/92/362900592.db2.gz CCEMUPRIZIYYSM-LBPRGKRZSA-N 1 2 261.329 0.528 20 30 CCEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCC#N)cn1 ZINC000602939713 362900595 /nfs/dbraw/zinc/90/05/95/362900595.db2.gz CCEMUPRIZIYYSM-LBPRGKRZSA-N 1 2 261.329 0.528 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000273364347 192126727 /nfs/dbraw/zinc/12/67/27/192126727.db2.gz AZLDNSGKAFOGQC-AWEZNQCLSA-N 1 2 273.336 0.756 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000273364347 192126729 /nfs/dbraw/zinc/12/67/29/192126729.db2.gz AZLDNSGKAFOGQC-AWEZNQCLSA-N 1 2 273.336 0.756 20 30 CCEDLO Cn1[nH]c(C[N@H+](C)Cc2ccc(C#N)cc2)nc1=O ZINC000347397927 137334770 /nfs/dbraw/zinc/33/47/70/137334770.db2.gz ZXJNSIRVOIHEJG-UHFFFAOYSA-N 1 2 257.297 0.612 20 30 CCEDLO Cn1[nH]c(C[N@@H+](C)Cc2ccc(C#N)cc2)nc1=O ZINC000347397927 137334771 /nfs/dbraw/zinc/33/47/71/137334771.db2.gz ZXJNSIRVOIHEJG-UHFFFAOYSA-N 1 2 257.297 0.612 20 30 CCEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000120540910 349992215 /nfs/dbraw/zinc/99/22/15/349992215.db2.gz NFGBAUMFHGDAPI-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000120540910 349992216 /nfs/dbraw/zinc/99/22/16/349992216.db2.gz NFGBAUMFHGDAPI-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO C[C@@H](C#N)CN(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000064796687 348704094 /nfs/dbraw/zinc/70/40/94/348704094.db2.gz YRLUXBRVYRYONG-ZDUSSCGKSA-N 1 2 296.415 0.305 20 30 CCEDLO C#CC[N@@H+](CCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000068828723 348823866 /nfs/dbraw/zinc/82/38/66/348823866.db2.gz OAZRTFBFYFGIFV-AWEZNQCLSA-N 1 2 295.408 0.622 20 30 CCEDLO C#CC[N@H+](CCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000068828723 348823868 /nfs/dbraw/zinc/82/38/68/348823868.db2.gz OAZRTFBFYFGIFV-AWEZNQCLSA-N 1 2 295.408 0.622 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)NC1CCCC1 ZINC000072906644 348937414 /nfs/dbraw/zinc/93/74/14/348937414.db2.gz AJTKGKMUIPKNDW-UHFFFAOYSA-N 1 2 261.325 0.323 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108679 348943215 /nfs/dbraw/zinc/94/32/15/348943215.db2.gz ISXHZEVHXCBFSR-LBPRGKRZSA-N 1 2 287.367 0.552 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000076993880 349096403 /nfs/dbraw/zinc/09/64/03/349096403.db2.gz CULRPULPDPCDTQ-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000076993880 349096407 /nfs/dbraw/zinc/09/64/07/349096407.db2.gz CULRPULPDPCDTQ-UHFFFAOYSA-N 1 2 289.379 0.236 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(O)CC2)cc1 ZINC000081512316 349270409 /nfs/dbraw/zinc/27/04/09/349270409.db2.gz WKZNPMGLELYGAO-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH+](CC=C)CC=C)CC1 ZINC000081672305 349280047 /nfs/dbraw/zinc/28/00/47/349280047.db2.gz GFUGSFCTWVGBTN-UHFFFAOYSA-N 1 2 261.369 0.438 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(CC)nc2CC)CC1 ZINC000084489972 349322018 /nfs/dbraw/zinc/32/20/18/349322018.db2.gz GDJHUNVVTCKXQU-UHFFFAOYSA-N 1 2 289.383 0.180 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)o1 ZINC000120753357 350003128 /nfs/dbraw/zinc/00/31/28/350003128.db2.gz NWCKOUQSMXEQFD-UHFFFAOYSA-N 1 2 288.351 0.547 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603088600 362956024 /nfs/dbraw/zinc/95/60/24/362956024.db2.gz NSCZCYLOJMDTHL-FZMZJTMJSA-N 1 2 257.293 0.563 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603088600 362956029 /nfs/dbraw/zinc/95/60/29/362956029.db2.gz NSCZCYLOJMDTHL-FZMZJTMJSA-N 1 2 257.293 0.563 20 30 CCEDLO C#CCN(CC)C(=S)NCC[NH+]1CCOCC1 ZINC000138920991 350444776 /nfs/dbraw/zinc/44/47/76/350444776.db2.gz AJRCODJKOLFTHD-UHFFFAOYSA-N 1 2 255.387 0.148 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161591474 350725752 /nfs/dbraw/zinc/72/57/52/350725752.db2.gz YIYHZWIKRXBMNP-CYBMUJFWSA-N 1 2 273.336 0.816 20 30 CCEDLO Cc1ccc(C#N)c(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000161760547 350728600 /nfs/dbraw/zinc/72/86/00/350728600.db2.gz IEVAPZLZWJQQLB-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000165538453 350790990 /nfs/dbraw/zinc/79/09/90/350790990.db2.gz NHKVKVYGBYOFSE-UHFFFAOYSA-N 1 2 280.353 0.279 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000170911193 350873444 /nfs/dbraw/zinc/87/34/44/350873444.db2.gz OPZSIRHHJBQLDG-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000170911193 350873448 /nfs/dbraw/zinc/87/34/48/350873448.db2.gz OPZSIRHHJBQLDG-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C(=O)OC)co2)nn1 ZINC000603217228 363003898 /nfs/dbraw/zinc/00/38/98/363003898.db2.gz YDNMZOCFLXRBPM-UHFFFAOYSA-N 1 2 288.307 0.819 20 30 CCEDLO N#Cc1ccc(F)cc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603220046 363005959 /nfs/dbraw/zinc/00/59/59/363005959.db2.gz NQJMFXDEQRHFPK-CQSZACIVSA-N 1 2 287.298 0.998 20 30 CCEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2ccsc2n1 ZINC000174047799 351068366 /nfs/dbraw/zinc/06/83/66/351068366.db2.gz PGSTYZYFPAPRIA-UHFFFAOYSA-N 1 2 257.318 0.824 20 30 CCEDLO CN(CC(C)(C)C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603348881 363082910 /nfs/dbraw/zinc/08/29/10/363082910.db2.gz HSTCGYZUCGEBPB-UHFFFAOYSA-N 1 2 270.358 0.694 20 30 CCEDLO COCC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191219412 351751357 /nfs/dbraw/zinc/75/13/57/351751357.db2.gz PTBXGDUDHXWQAE-UHFFFAOYSA-N 1 2 276.340 0.187 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)n(C)c1 ZINC000191245730 351752430 /nfs/dbraw/zinc/75/24/30/351752430.db2.gz YDDFEMKPQLNKBK-UHFFFAOYSA-N 1 2 278.356 0.433 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)n(C)c1 ZINC000191245730 351752434 /nfs/dbraw/zinc/75/24/34/351752434.db2.gz YDDFEMKPQLNKBK-UHFFFAOYSA-N 1 2 278.356 0.433 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192633951 351792582 /nfs/dbraw/zinc/79/25/82/351792582.db2.gz LCJYUIOQRFCFHM-OAHLLOKOSA-N 1 2 284.319 0.732 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191774923 351772888 /nfs/dbraw/zinc/77/28/88/351772888.db2.gz ZCVSULGJEWWDHO-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191774923 351772890 /nfs/dbraw/zinc/77/28/90/351772890.db2.gz ZCVSULGJEWWDHO-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)[nH]1 ZINC000122368062 187029251 /nfs/dbraw/zinc/02/92/51/187029251.db2.gz PUAXMLMWPZAVIY-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO C[C@@]1(C#N)CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603384808 363102162 /nfs/dbraw/zinc/10/21/62/363102162.db2.gz AEZLLJZVOSVMLX-NSHDSACASA-N 1 2 268.342 0.448 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)CO)cc1 ZINC000228737689 352082750 /nfs/dbraw/zinc/08/27/50/352082750.db2.gz DSEVQXUFZLCDFT-LLVKDONJSA-N 1 2 286.278 0.515 20 30 CCEDLO Cc1nc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)no1 ZINC000231806285 352134760 /nfs/dbraw/zinc/13/47/60/352134760.db2.gz QRNVVEGOOAVJIT-GFCCVEGCSA-N 1 2 288.307 0.779 20 30 CCEDLO Cc1cc(NCCCc2ncnn2C)c(C#N)c[nH+]1 ZINC000603394286 363108735 /nfs/dbraw/zinc/10/87/35/363108735.db2.gz WTZVYNCZSPGBSX-UHFFFAOYSA-N 1 2 256.313 0.857 20 30 CCEDLO N#Cc1c(C[NH+]2C[C@@H](O)[C@H](O)C2)cn2ccccc12 ZINC000236524193 352196440 /nfs/dbraw/zinc/19/64/40/352196440.db2.gz VWIUPGPUSUGWGE-ZIAGYGMSSA-N 1 2 257.293 0.348 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000249412954 352490213 /nfs/dbraw/zinc/49/02/13/352490213.db2.gz YHVKGHDWBPZRQF-ZWNOBZJWSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000249412954 352490216 /nfs/dbraw/zinc/49/02/16/352490216.db2.gz YHVKGHDWBPZRQF-ZWNOBZJWSA-N 1 2 259.309 0.805 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270670817 352966411 /nfs/dbraw/zinc/96/64/11/352966411.db2.gz LMFJFWMLZLGFTC-LBPRGKRZSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270670817 352966413 /nfs/dbraw/zinc/96/64/13/352966413.db2.gz LMFJFWMLZLGFTC-LBPRGKRZSA-N 1 2 262.288 0.940 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C1 ZINC000286813780 353612207 /nfs/dbraw/zinc/61/22/07/353612207.db2.gz UOSCYBKFSOQHDC-JTQLQIEISA-N 1 2 283.353 0.866 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C1 ZINC000286813780 353612209 /nfs/dbraw/zinc/61/22/09/353612209.db2.gz UOSCYBKFSOQHDC-JTQLQIEISA-N 1 2 283.353 0.866 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccn1 ZINC000300074227 354058301 /nfs/dbraw/zinc/05/83/01/354058301.db2.gz BHQWIBZWHYBJHA-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccn1 ZINC000300074227 354058304 /nfs/dbraw/zinc/05/83/04/354058304.db2.gz BHQWIBZWHYBJHA-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO CCN1CCN(C(=O)[C@H](C)NC(C)=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000328628926 354240980 /nfs/dbraw/zinc/24/09/80/354240980.db2.gz OERCTUXHCQCHTF-JQWIXIFHSA-N 1 2 293.371 0.980 20 30 CCEDLO [O-]C(=[NH+]CC[NH+]1CCSCC1)N1CCn2ncnc2C1 ZINC000329941651 354276422 /nfs/dbraw/zinc/27/64/22/354276422.db2.gz VCWWVFGPRHPLJJ-UHFFFAOYSA-N 1 2 296.400 0.057 20 30 CCEDLO Cn1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000331164329 354474176 /nfs/dbraw/zinc/47/41/76/354474176.db2.gz LTJHKKOSFYGNRJ-LLVKDONJSA-N 1 2 267.354 0.516 20 30 CCEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000331164329 354474181 /nfs/dbraw/zinc/47/41/81/354474181.db2.gz LTJHKKOSFYGNRJ-LLVKDONJSA-N 1 2 267.354 0.516 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](CC2(C#N)CC2)CC1 ZINC000331406534 354564774 /nfs/dbraw/zinc/56/47/74/354564774.db2.gz OLGSSMCYVDGBFF-UHFFFAOYSA-N 1 2 252.314 0.680 20 30 CCEDLO N#C[C@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000332904357 354738881 /nfs/dbraw/zinc/73/88/81/354738881.db2.gz RLBBBSMLOSQSKJ-UWVGGRQHSA-N 1 2 275.312 0.201 20 30 CCEDLO N#C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000332904357 354738885 /nfs/dbraw/zinc/73/88/85/354738885.db2.gz RLBBBSMLOSQSKJ-UWVGGRQHSA-N 1 2 275.312 0.201 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)o1 ZINC000336816272 355190250 /nfs/dbraw/zinc/19/02/50/355190250.db2.gz LIBRFRRRKICTIJ-SNVBAGLBSA-N 1 2 263.297 0.602 20 30 CCEDLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000336962356 355234196 /nfs/dbraw/zinc/23/41/96/355234196.db2.gz FATTWRQTLNVERR-NSHDSACASA-N 1 2 287.327 0.456 20 30 CCEDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c(C#N)cn1 ZINC000425234339 235275980 /nfs/dbraw/zinc/27/59/80/235275980.db2.gz YWMOHWGNOLMIDF-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c(C#N)cn1 ZINC000425234339 235275983 /nfs/dbraw/zinc/27/59/83/235275983.db2.gz YWMOHWGNOLMIDF-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C)nc(C#N)c2)CC1 ZINC000341559194 355693017 /nfs/dbraw/zinc/69/30/17/355693017.db2.gz DUORJPJQHMIMIS-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000347221944 355877723 /nfs/dbraw/zinc/87/77/23/355877723.db2.gz NCOVDFODYBZYLC-UHFFFAOYSA-N 1 2 274.390 0.103 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347221944 355877727 /nfs/dbraw/zinc/87/77/27/355877727.db2.gz NCOVDFODYBZYLC-UHFFFAOYSA-N 1 2 274.390 0.103 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000362275471 138052882 /nfs/dbraw/zinc/05/28/82/138052882.db2.gz DGTDXNMNSPWBAU-MNOVXSKESA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000362275471 138052883 /nfs/dbraw/zinc/05/28/83/138052883.db2.gz DGTDXNMNSPWBAU-MNOVXSKESA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000362275470 138053022 /nfs/dbraw/zinc/05/30/22/138053022.db2.gz DGTDXNMNSPWBAU-GHMZBOCLSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000362275470 138053023 /nfs/dbraw/zinc/05/30/23/138053023.db2.gz DGTDXNMNSPWBAU-GHMZBOCLSA-N 1 2 250.273 0.625 20 30 CCEDLO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC000362914277 138080413 /nfs/dbraw/zinc/08/04/13/138080413.db2.gz WKPIHBRWFWGTEP-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC000362914277 138080414 /nfs/dbraw/zinc/08/04/14/138080414.db2.gz WKPIHBRWFWGTEP-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000354676185 356471664 /nfs/dbraw/zinc/47/16/64/356471664.db2.gz SVTFHXNMUSWFQM-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619495709 366266959 /nfs/dbraw/zinc/26/69/59/366266959.db2.gz RAYAQSYPKOCRLQ-UHFFFAOYSA-N 1 2 290.348 0.965 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273748762 192290044 /nfs/dbraw/zinc/29/00/44/192290044.db2.gz WUSVCLGVERKIFV-HTQZYQBOSA-N 1 2 297.384 0.897 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000619621060 366302568 /nfs/dbraw/zinc/30/25/68/366302568.db2.gz SMWQCEWAYDVOSS-CABCVRRESA-N 1 2 290.411 0.939 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000609457524 363496717 /nfs/dbraw/zinc/49/67/17/363496717.db2.gz CKBRLNLFAUEJAL-CQSZACIVSA-N 1 2 289.383 0.966 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000609538196 363503922 /nfs/dbraw/zinc/50/39/22/363503922.db2.gz IXWDJOXIYPQAIG-OAHLLOKOSA-N 1 2 280.416 0.484 20 30 CCEDLO N#Cc1cnc(NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000560803573 291113424 /nfs/dbraw/zinc/11/34/24/291113424.db2.gz UVESUVPMPPVUKW-NSHDSACASA-N 1 2 261.304 0.504 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000619720027 366341399 /nfs/dbraw/zinc/34/13/99/366341399.db2.gz UQPXPHHEXAENFJ-NWDGAFQWSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000619720027 366341405 /nfs/dbraw/zinc/34/14/05/366341405.db2.gz UQPXPHHEXAENFJ-NWDGAFQWSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000619720343 366341641 /nfs/dbraw/zinc/34/16/41/366341641.db2.gz DBOGDNDVFSHJEU-GFCCVEGCSA-N 1 2 269.341 0.843 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000619720343 366341642 /nfs/dbraw/zinc/34/16/42/366341642.db2.gz DBOGDNDVFSHJEU-GFCCVEGCSA-N 1 2 269.341 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000619717102 366333482 /nfs/dbraw/zinc/33/34/82/366333482.db2.gz UUDAIPZZCOXDGY-LBPRGKRZSA-N 1 2 254.330 0.657 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000619718105 366338192 /nfs/dbraw/zinc/33/81/92/366338192.db2.gz YFFACGVLUNYMBZ-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000619718105 366338197 /nfs/dbraw/zinc/33/81/97/366338197.db2.gz YFFACGVLUNYMBZ-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)nc1 ZINC000359922228 356919315 /nfs/dbraw/zinc/91/93/15/356919315.db2.gz RYCDLWAVMJEGEF-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@]1(CO)CCOC1 ZINC000359792387 356895120 /nfs/dbraw/zinc/89/51/20/356895120.db2.gz HFPKASRPDLXERA-OAHLLOKOSA-N 1 2 289.335 0.580 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@]1(CO)CCOC1 ZINC000359792387 356895125 /nfs/dbraw/zinc/89/51/25/356895125.db2.gz HFPKASRPDLXERA-OAHLLOKOSA-N 1 2 289.335 0.580 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000610582792 363581653 /nfs/dbraw/zinc/58/16/53/363581653.db2.gz IOFUVSKNHJGREZ-NSHDSACASA-N 1 2 294.355 0.057 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000610582792 363581660 /nfs/dbraw/zinc/58/16/60/363581660.db2.gz IOFUVSKNHJGREZ-NSHDSACASA-N 1 2 294.355 0.057 20 30 CCEDLO Cn1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1C#N ZINC000377195524 357551242 /nfs/dbraw/zinc/55/12/42/357551242.db2.gz FTUNGMXDYUCLLS-GFCCVEGCSA-N 1 2 282.369 0.150 20 30 CCEDLO Cn1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1C#N ZINC000377195524 357551243 /nfs/dbraw/zinc/55/12/43/357551243.db2.gz FTUNGMXDYUCLLS-GFCCVEGCSA-N 1 2 282.369 0.150 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](C#N)CCC#N)CCN2C1=O ZINC000610605714 363585776 /nfs/dbraw/zinc/58/57/76/363585776.db2.gz WDEBDPZLTDNVAP-VXGBXAGGSA-N 1 2 289.339 0.398 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CCN2C1=O ZINC000610605714 363585779 /nfs/dbraw/zinc/58/57/79/363585779.db2.gz WDEBDPZLTDNVAP-VXGBXAGGSA-N 1 2 289.339 0.398 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450311585 236079897 /nfs/dbraw/zinc/07/98/97/236079897.db2.gz DOMPFOFPEOUVGY-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450311585 236079898 /nfs/dbraw/zinc/07/98/98/236079898.db2.gz DOMPFOFPEOUVGY-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cc[nH+]1 ZINC000450601431 358256623 /nfs/dbraw/zinc/25/66/23/358256623.db2.gz PMXPMLKIJZVHBM-IAQYHMDHSA-N 1 2 285.351 0.983 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCCNC3=O)CC2)c1 ZINC000610841937 363621399 /nfs/dbraw/zinc/62/13/99/363621399.db2.gz NZSUQCLKFKTBBX-ZDUSSCGKSA-N 1 2 285.351 0.354 20 30 CCEDLO Cc1onc(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000587057348 359299594 /nfs/dbraw/zinc/29/95/94/359299594.db2.gz URLOPNIOZYZJMK-SNVBAGLBSA-N 1 2 285.307 0.725 20 30 CCEDLO Cc1cc(N2CCOCC2)c(C#N)c(N2CCOCC2)[nH+]1 ZINC000589103664 359359509 /nfs/dbraw/zinc/35/95/09/359359509.db2.gz BOCYQRFRAKMIHB-UHFFFAOYSA-N 1 2 288.351 0.935 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000589217928 359371794 /nfs/dbraw/zinc/37/17/94/359371794.db2.gz YCTOTZTXMCDZMX-UHFFFAOYSA-N 1 2 283.397 0.790 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000590012123 359417398 /nfs/dbraw/zinc/41/73/98/359417398.db2.gz SVQQCSJEBJMYMB-UHFFFAOYSA-N 1 2 299.378 0.696 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000589629999 359394321 /nfs/dbraw/zinc/39/43/21/359394321.db2.gz QWKSOZJHAAQQRD-TVQRCGJNSA-N 1 2 277.303 0.914 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000589629999 359394322 /nfs/dbraw/zinc/39/43/22/359394322.db2.gz QWKSOZJHAAQQRD-TVQRCGJNSA-N 1 2 277.303 0.914 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000590889438 359535622 /nfs/dbraw/zinc/53/56/22/359535622.db2.gz CSZGHBNNXXVXES-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000590889438 359535627 /nfs/dbraw/zinc/53/56/27/359535627.db2.gz CSZGHBNNXXVXES-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000591855687 359665002 /nfs/dbraw/zinc/66/50/02/359665002.db2.gz YDQUULHQKPMVAS-SNVBAGLBSA-N 1 2 267.329 0.204 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592025941 359736338 /nfs/dbraw/zinc/73/63/38/359736338.db2.gz HPBAIAKWKAIMPU-CQSZACIVSA-N 1 2 290.323 0.650 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000592071074 359746517 /nfs/dbraw/zinc/74/65/17/359746517.db2.gz YUOGVQWZLFINOV-CQSZACIVSA-N 1 2 285.351 0.943 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000592071074 359746523 /nfs/dbraw/zinc/74/65/23/359746523.db2.gz YUOGVQWZLFINOV-CQSZACIVSA-N 1 2 285.351 0.943 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149258 359768587 /nfs/dbraw/zinc/76/85/87/359768587.db2.gz LURJNMQXFURNQM-OCCSQVGLSA-N 1 2 277.299 0.703 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149258 359768592 /nfs/dbraw/zinc/76/85/92/359768592.db2.gz LURJNMQXFURNQM-OCCSQVGLSA-N 1 2 277.299 0.703 20 30 CCEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176319 363672736 /nfs/dbraw/zinc/67/27/36/363672736.db2.gz ZKZYWDQSDXWNGG-OLZOCXBDSA-N 1 2 266.389 0.821 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](CC#CCOC)CC1 ZINC000611194751 363679282 /nfs/dbraw/zinc/67/92/82/363679282.db2.gz JLLARQBMINJCCO-UHFFFAOYSA-N 1 2 255.314 0.026 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000329530820 202371473 /nfs/dbraw/zinc/37/14/73/202371473.db2.gz VXRUJHOXSZFSKC-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000297838698 200290137 /nfs/dbraw/zinc/29/01/37/200290137.db2.gz LSBYZSDUKNJEHP-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947264 359993136 /nfs/dbraw/zinc/99/31/36/359993136.db2.gz AWENIUNQEGHRFL-GXFFZTMASA-N 1 2 262.288 0.910 20 30 CCEDLO Cn1nc2c(c1C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCCC2 ZINC000593154238 360048180 /nfs/dbraw/zinc/04/81/80/360048180.db2.gz BPGMKDRZRHNSPI-HNNXBMFYSA-N 1 2 289.383 0.873 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093335 360034157 /nfs/dbraw/zinc/03/41/57/360034157.db2.gz DWPFPAIXOKRTRS-GUXLRTMWSA-N 1 2 283.397 0.246 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593093335 360034161 /nfs/dbraw/zinc/03/41/61/360034161.db2.gz DWPFPAIXOKRTRS-GUXLRTMWSA-N 1 2 283.397 0.246 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CC(=O)N2 ZINC000593338722 360067796 /nfs/dbraw/zinc/06/77/96/360067796.db2.gz DKEIWHRLKQYIBA-GFCCVEGCSA-N 1 2 289.335 0.766 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CC(=O)N2 ZINC000593338722 360067802 /nfs/dbraw/zinc/06/78/02/360067802.db2.gz DKEIWHRLKQYIBA-GFCCVEGCSA-N 1 2 289.335 0.766 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000593418173 360084816 /nfs/dbraw/zinc/08/48/16/360084816.db2.gz GHXSTJIYCWARCJ-TZMCWYRMSA-N 1 2 297.424 0.860 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000593844320 360176178 /nfs/dbraw/zinc/17/61/78/360176178.db2.gz LASARXODZMITCM-CYBMUJFWSA-N 1 2 299.334 0.434 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000593844320 360176181 /nfs/dbraw/zinc/17/61/81/360176181.db2.gz LASARXODZMITCM-CYBMUJFWSA-N 1 2 299.334 0.434 20 30 CCEDLO N#Cc1ccsc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853882 360176940 /nfs/dbraw/zinc/17/69/40/360176940.db2.gz HFFXOWJPZATTKM-LLVKDONJSA-N 1 2 277.349 0.511 20 30 CCEDLO N#Cc1ccsc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853882 360176943 /nfs/dbraw/zinc/17/69/43/360176943.db2.gz HFFXOWJPZATTKM-LLVKDONJSA-N 1 2 277.349 0.511 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](C(=O)OC)C2)nn1 ZINC000593945554 360221448 /nfs/dbraw/zinc/22/14/48/360221448.db2.gz ZCZVNYOOMYQJFC-NSHDSACASA-N 1 2 264.329 0.849 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](C(=O)OC)C2)nn1 ZINC000593945554 360221452 /nfs/dbraw/zinc/22/14/52/360221452.db2.gz ZCZVNYOOMYQJFC-NSHDSACASA-N 1 2 264.329 0.849 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCCC#N ZINC000594316819 360273274 /nfs/dbraw/zinc/27/32/74/360273274.db2.gz UFBDXAIUIJJABD-ZDUSSCGKSA-N 1 2 283.372 0.222 20 30 CCEDLO C[C@@H](CNc1ncncc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592372 360337138 /nfs/dbraw/zinc/33/71/38/360337138.db2.gz QPJFFUBWWYZNTG-SDDRHHMPSA-N 1 2 275.356 0.680 20 30 CCEDLO C[C@@H](CNc1ncncc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592372 360337139 /nfs/dbraw/zinc/33/71/39/360337139.db2.gz QPJFFUBWWYZNTG-SDDRHHMPSA-N 1 2 275.356 0.680 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177413342 189049188 /nfs/dbraw/zinc/04/91/88/189049188.db2.gz NJTIMCNUDWOPPP-AWEZNQCLSA-N 1 2 295.770 0.932 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595206843 360450495 /nfs/dbraw/zinc/45/04/95/360450495.db2.gz BTFPNEHJIHPBEX-AWEZNQCLSA-N 1 2 288.307 0.791 20 30 CCEDLO C=CCCSCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000595238367 360454454 /nfs/dbraw/zinc/45/44/54/360454454.db2.gz VDFBMSXGYOIBCC-UHFFFAOYSA-N 1 2 294.380 0.858 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H](C#N)c1ccccc1 ZINC000595342683 360501494 /nfs/dbraw/zinc/50/14/94/360501494.db2.gz GCJOJBJYMHJICW-CVEARBPZSA-N 1 2 289.379 0.876 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382880 360513578 /nfs/dbraw/zinc/51/35/78/360513578.db2.gz KAGFIRQSJUSQAD-JTQLQIEISA-N 1 2 285.373 0.551 20 30 CCEDLO C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1[nH+]ccn1C ZINC000595383947 360515533 /nfs/dbraw/zinc/51/55/33/360515533.db2.gz RRUSOSKVSNSPPU-VIFPVBQESA-N 1 2 268.342 0.704 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000595489295 360548544 /nfs/dbraw/zinc/54/85/44/360548544.db2.gz FYORYRUORXKMSC-CQSZACIVSA-N 1 2 281.319 0.797 20 30 CCEDLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615238 360599255 /nfs/dbraw/zinc/59/92/55/360599255.db2.gz LJDIZPOFMOLFQY-JTQLQIEISA-N 1 2 275.360 0.476 20 30 CCEDLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615238 360599259 /nfs/dbraw/zinc/59/92/59/360599259.db2.gz LJDIZPOFMOLFQY-JTQLQIEISA-N 1 2 275.360 0.476 20 30 CCEDLO COC(=O)[C@](C)(CCF)[NH2+]CCC(=O)N(C)CCC#N ZINC000595776850 360651694 /nfs/dbraw/zinc/65/16/94/360651694.db2.gz VQNVVFSCMRGTNK-ZDUSSCGKSA-N 1 2 287.335 0.629 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595851206 360679626 /nfs/dbraw/zinc/67/96/26/360679626.db2.gz PIZGXWYKRYQCJL-NEPJUHHUSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595851206 360679627 /nfs/dbraw/zinc/67/96/27/360679627.db2.gz PIZGXWYKRYQCJL-NEPJUHHUSA-N 1 2 268.357 0.951 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@]1(COC)C(=O)OC ZINC000595807757 360662730 /nfs/dbraw/zinc/66/27/30/360662730.db2.gz PTKUTUKGCYFKBY-CYBMUJFWSA-N 1 2 255.314 0.290 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@]1(COC)C(=O)OC ZINC000595807757 360662732 /nfs/dbraw/zinc/66/27/32/360662732.db2.gz PTKUTUKGCYFKBY-CYBMUJFWSA-N 1 2 255.314 0.290 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@](C)(C#N)C2)nn1 ZINC000595842841 360676200 /nfs/dbraw/zinc/67/62/00/360676200.db2.gz HRYYACVCUAVVBB-ZDUSSCGKSA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CC[C@@](C)(C#N)C2)nn1 ZINC000595842841 360676204 /nfs/dbraw/zinc/67/62/04/360676204.db2.gz HRYYACVCUAVVBB-ZDUSSCGKSA-N 1 2 277.328 0.229 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596288440 360869100 /nfs/dbraw/zinc/86/91/00/360869100.db2.gz BAIIBKABINICPX-GFCCVEGCSA-N 1 2 262.309 0.983 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C#N)[C@H](C)CO1 ZINC000596550997 360919887 /nfs/dbraw/zinc/91/98/87/360919887.db2.gz YBBFJBKYZTYDBJ-VXGBXAGGSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C#N)[C@H](C)CO1 ZINC000596550997 360919892 /nfs/dbraw/zinc/91/98/92/360919892.db2.gz YBBFJBKYZTYDBJ-VXGBXAGGSA-N 1 2 282.388 0.945 20 30 CCEDLO N#CC1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000596633015 360934808 /nfs/dbraw/zinc/93/48/08/360934808.db2.gz UEHUUEJSSAWGSC-CYBMUJFWSA-N 1 2 292.383 0.796 20 30 CCEDLO N#Cc1csc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000179474929 189197161 /nfs/dbraw/zinc/19/71/61/189197161.db2.gz ZAUNZYMXNMTNEA-LLVKDONJSA-N 1 2 295.364 0.043 20 30 CCEDLO CNC(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000597249769 361041283 /nfs/dbraw/zinc/04/12/83/361041283.db2.gz LDIYRTKLZOMRNS-UHFFFAOYSA-N 1 2 257.297 0.384 20 30 CCEDLO CNC(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000597249769 361041286 /nfs/dbraw/zinc/04/12/86/361041286.db2.gz LDIYRTKLZOMRNS-UHFFFAOYSA-N 1 2 257.297 0.384 20 30 CCEDLO N#Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c[nH]1 ZINC000181317670 189294074 /nfs/dbraw/zinc/29/40/74/189294074.db2.gz HEFUFZKAIFJDTN-AWEZNQCLSA-N 1 2 288.351 0.823 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993514 361302249 /nfs/dbraw/zinc/30/22/49/361302249.db2.gz GDZOAEWUPCZMHV-SDDRHHMPSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993514 361302255 /nfs/dbraw/zinc/30/22/55/361302255.db2.gz GDZOAEWUPCZMHV-SDDRHHMPSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CSCC#N ZINC000597996342 361303223 /nfs/dbraw/zinc/30/32/23/361303223.db2.gz ISCIDKHXSHKRJX-MNOVXSKESA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CSCC#N ZINC000597996342 361303227 /nfs/dbraw/zinc/30/32/27/361303227.db2.gz ISCIDKHXSHKRJX-MNOVXSKESA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)[C@H](C)CO1 ZINC000598001212 361307091 /nfs/dbraw/zinc/30/70/91/361307091.db2.gz XOLQSIWAENFHFQ-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)[C@H](C)CO1 ZINC000598001212 361307094 /nfs/dbraw/zinc/30/70/94/361307094.db2.gz XOLQSIWAENFHFQ-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342071 361391829 /nfs/dbraw/zinc/39/18/29/361391829.db2.gz DEZPERLCAVBYKO-LBPRGKRZSA-N 1 2 265.357 0.717 20 30 CCEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)CC(C)(C)C#N ZINC000598591797 361452423 /nfs/dbraw/zinc/45/24/23/361452423.db2.gz BYTPEOWXHXVGAE-LLVKDONJSA-N 1 2 277.372 0.957 20 30 CCEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)CC(C)(C)C#N ZINC000598591797 361452426 /nfs/dbraw/zinc/45/24/26/361452426.db2.gz BYTPEOWXHXVGAE-LLVKDONJSA-N 1 2 277.372 0.957 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000598592211 361452575 /nfs/dbraw/zinc/45/25/75/361452575.db2.gz IESJNBPIGZVONF-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000598592211 361452577 /nfs/dbraw/zinc/45/25/77/361452577.db2.gz IESJNBPIGZVONF-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000184039042 189375056 /nfs/dbraw/zinc/37/50/56/189375056.db2.gz JQXIMUVJQAXUAO-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000184039042 189375057 /nfs/dbraw/zinc/37/50/57/189375057.db2.gz JQXIMUVJQAXUAO-CQSZACIVSA-N 1 2 289.335 0.384 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946833 361538295 /nfs/dbraw/zinc/53/82/95/361538295.db2.gz JIFIRSOOWSZFAH-LLVKDONJSA-N 1 2 269.308 0.838 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000599191639 361606449 /nfs/dbraw/zinc/60/64/49/361606449.db2.gz BIOFBWSNEYQZTK-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000599191639 361606455 /nfs/dbraw/zinc/60/64/55/361606455.db2.gz BIOFBWSNEYQZTK-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599372550 361672717 /nfs/dbraw/zinc/67/27/17/361672717.db2.gz WMZANBVUQGFJGR-CYBMUJFWSA-N 1 2 295.383 0.222 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599372550 361672720 /nfs/dbraw/zinc/67/27/20/361672720.db2.gz WMZANBVUQGFJGR-CYBMUJFWSA-N 1 2 295.383 0.222 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599537147 361729763 /nfs/dbraw/zinc/72/97/63/361729763.db2.gz HWIAHAJNSIXQLC-NSHDSACASA-N 1 2 290.323 0.279 20 30 CCEDLO Cn1c(C[N@@H+]2CCC[C@](C)(C#N)C2)cc(=O)n(C)c1=O ZINC000612163429 363858491 /nfs/dbraw/zinc/85/84/91/363858491.db2.gz QRJXIZAJCIEGDF-CQSZACIVSA-N 1 2 276.340 0.210 20 30 CCEDLO Cn1c(C[N@H+]2CCC[C@](C)(C#N)C2)cc(=O)n(C)c1=O ZINC000612163429 363858494 /nfs/dbraw/zinc/85/84/94/363858494.db2.gz QRJXIZAJCIEGDF-CQSZACIVSA-N 1 2 276.340 0.210 20 30 CCEDLO C=CC1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631940191 370774770 /nfs/dbraw/zinc/77/47/70/370774770.db2.gz QZMURJSCZGQKPR-CYBMUJFWSA-N 1 2 288.413 0.545 20 30 CCEDLO C=CC1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631940191 370774774 /nfs/dbraw/zinc/77/47/74/370774774.db2.gz QZMURJSCZGQKPR-CYBMUJFWSA-N 1 2 288.413 0.545 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000614361633 364584324 /nfs/dbraw/zinc/58/43/24/364584324.db2.gz JBRSJIJTKUOHQI-UHFFFAOYSA-N 1 2 275.308 0.014 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)OCC ZINC000614503009 364632828 /nfs/dbraw/zinc/63/28/28/364632828.db2.gz MUTRUJSHFAHRHU-GJZGRUSLSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)OCC ZINC000614503009 364632830 /nfs/dbraw/zinc/63/28/30/364632830.db2.gz MUTRUJSHFAHRHU-GJZGRUSLSA-N 1 2 295.427 0.864 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615530660 364993310 /nfs/dbraw/zinc/99/33/10/364993310.db2.gz CTSNFKIJQQKCFL-AAEUAGOBSA-N 1 2 284.335 0.354 20 30 CCEDLO N#C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCSC1 ZINC000615742243 365072793 /nfs/dbraw/zinc/07/27/93/365072793.db2.gz QRBPBBQRSBAYHI-GXFFZTMASA-N 1 2 276.365 0.961 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255232 367491926 /nfs/dbraw/zinc/49/19/26/367491926.db2.gz WMQJFXYKKWLGCQ-WCQYABFASA-N 1 2 276.340 0.395 20 30 CCEDLO C=CCCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623898928 367690120 /nfs/dbraw/zinc/69/01/20/367690120.db2.gz WDCBBPRLLJSQJK-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623898928 367690124 /nfs/dbraw/zinc/69/01/24/367690124.db2.gz WDCBBPRLLJSQJK-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081302 368432200 /nfs/dbraw/zinc/43/22/00/368432200.db2.gz BOPNNQGIVNRLIR-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081302 368432203 /nfs/dbraw/zinc/43/22/03/368432203.db2.gz BOPNNQGIVNRLIR-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1F ZINC000330642974 203072182 /nfs/dbraw/zinc/07/21/82/203072182.db2.gz JLNGBOQTJZPGMH-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1F ZINC000330642974 203072184 /nfs/dbraw/zinc/07/21/84/203072184.db2.gz JLNGBOQTJZPGMH-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000330768619 203212346 /nfs/dbraw/zinc/21/23/46/203212346.db2.gz SPTIMQZTVIKPPC-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000330768619 203212351 /nfs/dbraw/zinc/21/23/51/203212351.db2.gz SPTIMQZTVIKPPC-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)ccn2)CC[N@@H+]1CCO ZINC000330772630 203214491 /nfs/dbraw/zinc/21/44/91/203214491.db2.gz DQEGNGNNXKUXMW-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)ccn2)CC[N@H+]1CCO ZINC000330772630 203214495 /nfs/dbraw/zinc/21/44/95/203214495.db2.gz DQEGNGNNXKUXMW-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000628484636 369276938 /nfs/dbraw/zinc/27/69/38/369276938.db2.gz QZINXUUHDGRTCT-ZDUSSCGKSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000628484636 369276942 /nfs/dbraw/zinc/27/69/42/369276942.db2.gz QZINXUUHDGRTCT-ZDUSSCGKSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000276104231 193214741 /nfs/dbraw/zinc/21/47/41/193214741.db2.gz JKYZQCOTVKCABZ-OAHLLOKOSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632603775 371174558 /nfs/dbraw/zinc/17/45/58/371174558.db2.gz JXAOQNVZOWJOTG-UHFFFAOYSA-N 1 2 280.328 0.029 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@]12CCOC2 ZINC000574404747 335015300 /nfs/dbraw/zinc/01/53/00/335015300.db2.gz SEBCKBDXBFGTGN-WXHSDQCUSA-N 1 2 251.330 0.373 20 30 CCEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636670025 373700019 /nfs/dbraw/zinc/70/00/19/373700019.db2.gz WEKTULZKUHOKFO-UHFFFAOYSA-N 1 2 278.356 0.755 20 30 CCEDLO C=C(C)CN(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637446383 374172170 /nfs/dbraw/zinc/17/21/70/374172170.db2.gz ROVDMPYJNKAVAM-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637446383 374172174 /nfs/dbraw/zinc/17/21/74/374172174.db2.gz ROVDMPYJNKAVAM-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639687156 375916851 /nfs/dbraw/zinc/91/68/51/375916851.db2.gz CPFWXZNTWTUHKR-HBNTYKKESA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639687156 375916855 /nfs/dbraw/zinc/91/68/55/375916855.db2.gz CPFWXZNTWTUHKR-HBNTYKKESA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639687154 375917479 /nfs/dbraw/zinc/91/74/79/375917479.db2.gz CPFWXZNTWTUHKR-GARJFASQSA-N 1 2 253.346 0.228 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639687154 375917481 /nfs/dbraw/zinc/91/74/81/375917481.db2.gz CPFWXZNTWTUHKR-GARJFASQSA-N 1 2 253.346 0.228 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(C)C)C2=O)nn1 ZINC000641046937 376710892 /nfs/dbraw/zinc/71/08/92/376710892.db2.gz WZTMQUWHUYPHSO-ZDUSSCGKSA-N 1 2 275.356 0.573 20 30 CCEDLO C=CCN1CC[C@H](n2cc(C[N@@H+](C)CCOC)nn2)C1=O ZINC000641110036 376792366 /nfs/dbraw/zinc/79/23/66/376792366.db2.gz XVQPSDUITNJIEG-ZDUSSCGKSA-N 1 2 293.371 0.316 20 30 CCEDLO C=CCN1CC[C@H](n2cc(C[N@H+](C)CCOC)nn2)C1=O ZINC000641110036 376792371 /nfs/dbraw/zinc/79/23/71/376792371.db2.gz XVQPSDUITNJIEG-ZDUSSCGKSA-N 1 2 293.371 0.316 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000515189322 249123106 /nfs/dbraw/zinc/12/31/06/249123106.db2.gz JQRUWVTUPHMOLP-LBPRGKRZSA-N 1 2 288.351 0.400 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000515189322 249123108 /nfs/dbraw/zinc/12/31/08/249123108.db2.gz JQRUWVTUPHMOLP-LBPRGKRZSA-N 1 2 288.351 0.400 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517817252 249232059 /nfs/dbraw/zinc/23/20/59/249232059.db2.gz HYZRDYDQSFAXRZ-GFCCVEGCSA-N 1 2 273.340 0.339 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cncnc1 ZINC000329229488 227366360 /nfs/dbraw/zinc/36/63/60/227366360.db2.gz CRLUXJUEAVUYGM-DGCLKSJQSA-N 1 2 291.355 0.817 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000280531598 194872242 /nfs/dbraw/zinc/87/22/42/194872242.db2.gz GXEZLAARIDYKNP-UHFFFAOYSA-N 1 2 263.297 0.210 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)nn1 ZINC000657455861 412996036 /nfs/dbraw/zinc/99/60/36/412996036.db2.gz DVAYROXPBUJEPW-UHFFFAOYSA-N 1 2 284.385 0.521 20 30 CCEDLO C[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288784347 197165908 /nfs/dbraw/zinc/16/59/08/197165908.db2.gz BZIKABKZCMCDFW-SNVBAGLBSA-N 1 2 283.353 0.040 20 30 CCEDLO C[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288784347 197165910 /nfs/dbraw/zinc/16/59/10/197165910.db2.gz BZIKABKZCMCDFW-SNVBAGLBSA-N 1 2 283.353 0.040 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000332708413 260019231 /nfs/dbraw/zinc/01/92/31/260019231.db2.gz OCZRYRQWDRFNNZ-UONOGXRCSA-N 1 2 294.399 0.011 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000332708413 260019233 /nfs/dbraw/zinc/01/92/33/260019233.db2.gz OCZRYRQWDRFNNZ-UONOGXRCSA-N 1 2 294.399 0.011 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282961669 388759557 /nfs/dbraw/zinc/75/95/57/388759557.db2.gz ZSHUETHAUYYGCU-LLVKDONJSA-N 1 2 271.386 0.980 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000184348170 388773469 /nfs/dbraw/zinc/77/34/69/388773469.db2.gz ZJZHQVLUYGLSDY-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000184348170 388773472 /nfs/dbraw/zinc/77/34/72/388773472.db2.gz ZJZHQVLUYGLSDY-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286616542 388843979 /nfs/dbraw/zinc/84/39/79/388843979.db2.gz QTBBKDWRXQWKPB-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000286813783 285327794 /nfs/dbraw/zinc/32/77/94/285327794.db2.gz UOSCYBKFSOQHDC-SNVBAGLBSA-N 1 2 283.353 0.866 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000286813783 285327799 /nfs/dbraw/zinc/32/77/99/285327799.db2.gz UOSCYBKFSOQHDC-SNVBAGLBSA-N 1 2 283.353 0.866 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292824815 388961256 /nfs/dbraw/zinc/96/12/56/388961256.db2.gz QLWCXPADHIHKKG-JTQLQIEISA-N 1 2 283.353 0.617 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292824815 388961258 /nfs/dbraw/zinc/96/12/58/388961258.db2.gz QLWCXPADHIHKKG-JTQLQIEISA-N 1 2 283.353 0.617 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000292904059 388967595 /nfs/dbraw/zinc/96/75/95/388967595.db2.gz AQZQDCLEZDJLLE-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000292904059 388967598 /nfs/dbraw/zinc/96/75/98/388967598.db2.gz AQZQDCLEZDJLLE-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO COC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000575060324 335060711 /nfs/dbraw/zinc/06/07/11/335060711.db2.gz HBDNRVZWJJEQTA-ZDUSSCGKSA-N 1 2 287.323 0.448 20 30 CCEDLO COC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000575060324 335060712 /nfs/dbraw/zinc/06/07/12/335060712.db2.gz HBDNRVZWJJEQTA-ZDUSSCGKSA-N 1 2 287.323 0.448 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000293047177 388977723 /nfs/dbraw/zinc/97/77/23/388977723.db2.gz HNBGVDVOBHVQNE-UHFFFAOYSA-N 1 2 274.320 0.907 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000293047177 388977725 /nfs/dbraw/zinc/97/77/25/388977725.db2.gz HNBGVDVOBHVQNE-UHFFFAOYSA-N 1 2 274.320 0.907 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293658333 388986503 /nfs/dbraw/zinc/98/65/03/388986503.db2.gz SYQMFAGDGXOYJE-GFCCVEGCSA-N 1 2 280.372 0.610 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000293658333 388986504 /nfs/dbraw/zinc/98/65/04/388986504.db2.gz SYQMFAGDGXOYJE-GFCCVEGCSA-N 1 2 280.372 0.610 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091752967 389024486 /nfs/dbraw/zinc/02/44/86/389024486.db2.gz KICSPRAUMGDCCK-CYBMUJFWSA-N 1 2 256.309 0.768 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091752967 389024490 /nfs/dbraw/zinc/02/44/90/389024490.db2.gz KICSPRAUMGDCCK-CYBMUJFWSA-N 1 2 256.309 0.768 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000192062724 389025743 /nfs/dbraw/zinc/02/57/43/389025743.db2.gz MOXOZDTYWDWIIZ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000192062724 389025748 /nfs/dbraw/zinc/02/57/48/389025748.db2.gz MOXOZDTYWDWIIZ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCN([C@@H](C)CO)CC2)C1=O ZINC000337205447 389055053 /nfs/dbraw/zinc/05/50/53/389055053.db2.gz KOZZZHIEZMJPNF-KBPBESRZSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCN([C@@H](C)CO)CC2)C1=O ZINC000337205447 389055057 /nfs/dbraw/zinc/05/50/57/389055057.db2.gz KOZZZHIEZMJPNF-KBPBESRZSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)C(C)C)C1=O ZINC000337217301 389056004 /nfs/dbraw/zinc/05/60/04/389056004.db2.gz IGJGSUDJFSNEKT-LBPRGKRZSA-N 1 2 267.373 0.572 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)C(C)C)C1=O ZINC000337217301 389056007 /nfs/dbraw/zinc/05/60/07/389056007.db2.gz IGJGSUDJFSNEKT-LBPRGKRZSA-N 1 2 267.373 0.572 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cnn(CC)c2)C1=O ZINC000337230918 389056755 /nfs/dbraw/zinc/05/67/55/389056755.db2.gz IROFZDXBXWBFRR-CQSZACIVSA-N 1 2 292.383 0.484 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cnn(CC)c2)C1=O ZINC000337230918 389056757 /nfs/dbraw/zinc/05/67/57/389056757.db2.gz IROFZDXBXWBFRR-CQSZACIVSA-N 1 2 292.383 0.484 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCC)C1=O ZINC000337236184 389057299 /nfs/dbraw/zinc/05/72/99/389057299.db2.gz XWZOUZLGTGCXEZ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCC)C1=O ZINC000337236184 389057301 /nfs/dbraw/zinc/05/73/01/389057301.db2.gz XWZOUZLGTGCXEZ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)nn3)CC2)on1 ZINC000301838471 389059902 /nfs/dbraw/zinc/05/99/02/389059902.db2.gz NKBYTEAHVKMSCN-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C#CCOCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000302116817 389063696 /nfs/dbraw/zinc/06/36/96/389063696.db2.gz CIJQTTSIKDMKNQ-CYBMUJFWSA-N 1 2 290.367 0.747 20 30 CCEDLO C#CCOCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000302116817 389063698 /nfs/dbraw/zinc/06/36/98/389063698.db2.gz CIJQTTSIKDMKNQ-CYBMUJFWSA-N 1 2 290.367 0.747 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337674231 389065599 /nfs/dbraw/zinc/06/55/99/389065599.db2.gz XHHFGHSMHKCGBQ-ZDUSSCGKSA-N 1 2 261.325 0.757 20 30 CCEDLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000328917268 389145031 /nfs/dbraw/zinc/14/50/31/389145031.db2.gz RRTSCXKUVPBNIA-JTQLQIEISA-N 1 2 266.349 0.931 20 30 CCEDLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000328917268 389145033 /nfs/dbraw/zinc/14/50/33/389145033.db2.gz RRTSCXKUVPBNIA-JTQLQIEISA-N 1 2 266.349 0.931 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC000328907587 389145135 /nfs/dbraw/zinc/14/51/35/389145135.db2.gz LQYUTSXBUFYSTL-NSHDSACASA-N 1 2 292.387 0.440 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1C#N ZINC000355610774 389101608 /nfs/dbraw/zinc/10/16/08/389101608.db2.gz UHVIKXUBOZFCPI-UHFFFAOYSA-N 1 2 291.355 0.132 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1C#N ZINC000355610774 389101609 /nfs/dbraw/zinc/10/16/09/389101609.db2.gz UHVIKXUBOZFCPI-UHFFFAOYSA-N 1 2 291.355 0.132 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593221 389113946 /nfs/dbraw/zinc/11/39/46/389113946.db2.gz PRQIDYBFGKGSJX-BNOWGMLFSA-N 1 2 285.363 0.836 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593221 389113947 /nfs/dbraw/zinc/11/39/47/389113947.db2.gz PRQIDYBFGKGSJX-BNOWGMLFSA-N 1 2 285.363 0.836 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)[NH+]1C ZINC000339065218 389124411 /nfs/dbraw/zinc/12/44/11/389124411.db2.gz CTNBPSOSXJGSSN-GHMZBOCLSA-N 1 2 274.390 0.101 20 30 CCEDLO C=CCOCC[N@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000339199260 389128431 /nfs/dbraw/zinc/12/84/31/389128431.db2.gz OBPYGETVPONHKG-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000339199260 389128434 /nfs/dbraw/zinc/12/84/34/389128434.db2.gz OBPYGETVPONHKG-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000328673077 389130779 /nfs/dbraw/zinc/13/07/79/389130779.db2.gz ISDQYJYKLFCOEX-SNVBAGLBSA-N 1 2 291.311 0.070 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000328673077 389130782 /nfs/dbraw/zinc/13/07/82/389130782.db2.gz ISDQYJYKLFCOEX-SNVBAGLBSA-N 1 2 291.311 0.070 20 30 CCEDLO CC(C)(C(=O)NC[C@@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000328679575 389131761 /nfs/dbraw/zinc/13/17/61/389131761.db2.gz NASGAFNOOHQFMK-ZDUSSCGKSA-N 1 2 288.413 0.922 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339437240 389132931 /nfs/dbraw/zinc/13/29/31/389132931.db2.gz GBNJDVQQLWLFAN-AWEZNQCLSA-N 1 2 282.384 0.564 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000359674202 389181124 /nfs/dbraw/zinc/18/11/24/389181124.db2.gz AHPNBSWRSVUQHR-CHWSQXEVSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000359674202 389181126 /nfs/dbraw/zinc/18/11/26/389181126.db2.gz AHPNBSWRSVUQHR-CHWSQXEVSA-N 1 2 268.405 0.886 20 30 CCEDLO O=C(C[N@H+]1CCSC[C@H]1CO)NC1CCOCC1 ZINC000329665456 389184929 /nfs/dbraw/zinc/18/49/29/389184929.db2.gz QTIJZXNIPTUDDW-LLVKDONJSA-N 1 2 274.386 0.532 20 30 CCEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)NC1CCOCC1 ZINC000329665456 389184932 /nfs/dbraw/zinc/18/49/32/389184932.db2.gz QTIJZXNIPTUDDW-LLVKDONJSA-N 1 2 274.386 0.532 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000341465719 389188789 /nfs/dbraw/zinc/18/87/89/389188789.db2.gz XPBDRSPCQDZLEP-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO C(#CC[N@@H+]1CCOCC12CC2)CN1CCOCC12CC2 ZINC000342155442 389198102 /nfs/dbraw/zinc/19/81/02/389198102.db2.gz DXHGGAMMPDLXFW-UHFFFAOYSA-N 1 2 276.380 0.719 20 30 CCEDLO C(#CC[N@H+]1CCOCC12CC2)CN1CCOCC12CC2 ZINC000342155442 389198106 /nfs/dbraw/zinc/19/81/06/389198106.db2.gz DXHGGAMMPDLXFW-UHFFFAOYSA-N 1 2 276.380 0.719 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360576504 389200672 /nfs/dbraw/zinc/20/06/72/389200672.db2.gz ONEQZSIQTJQNCQ-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000329331843 389157353 /nfs/dbraw/zinc/15/73/53/389157353.db2.gz ZTOBMZUTHUPTBY-FRRDWIJNSA-N 1 2 283.372 0.137 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000329331843 389157355 /nfs/dbraw/zinc/15/73/55/389157355.db2.gz ZTOBMZUTHUPTBY-FRRDWIJNSA-N 1 2 283.372 0.137 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000358809218 389160802 /nfs/dbraw/zinc/16/08/02/389160802.db2.gz MXPPTRCYDYXOTN-LLVKDONJSA-N 1 2 260.297 0.680 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCCCO3)C[C@@H]21 ZINC000329474794 389165860 /nfs/dbraw/zinc/16/58/60/389165860.db2.gz AZNFBFJAOKMEPP-MELADBBJSA-N 1 2 297.399 0.874 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCCCO3)C[C@@H]21 ZINC000329474794 389165862 /nfs/dbraw/zinc/16/58/62/389165862.db2.gz AZNFBFJAOKMEPP-MELADBBJSA-N 1 2 297.399 0.874 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000359333204 389171197 /nfs/dbraw/zinc/17/11/97/389171197.db2.gz SNHMWUDMGMAPPJ-QWRGUYRKSA-N 1 2 264.329 0.717 20 30 CCEDLO CC(C)(C(=O)N1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000359358380 389172109 /nfs/dbraw/zinc/17/21/09/389172109.db2.gz ASANIXSYFBQXMD-UHFFFAOYSA-N 1 2 283.347 0.951 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000128379228 389177467 /nfs/dbraw/zinc/17/74/67/389177467.db2.gz YMMAPOMHSZQTJM-UHFFFAOYSA-N 1 2 283.331 0.714 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329627995 389178996 /nfs/dbraw/zinc/17/89/96/389178996.db2.gz UKVVJZCYYBQEKB-NWDGAFQWSA-N 1 2 279.344 0.147 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329627995 389178998 /nfs/dbraw/zinc/17/89/98/389178998.db2.gz UKVVJZCYYBQEKB-NWDGAFQWSA-N 1 2 279.344 0.147 20 30 CCEDLO CN(C)c1cnc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000330621519 389247324 /nfs/dbraw/zinc/24/73/24/389247324.db2.gz MGYQESUMGFMWCJ-JTQLQIEISA-N 1 2 279.344 0.178 20 30 CCEDLO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000330621519 389247325 /nfs/dbraw/zinc/24/73/25/389247325.db2.gz MGYQESUMGFMWCJ-JTQLQIEISA-N 1 2 279.344 0.178 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csnn1 ZINC000330627469 389248145 /nfs/dbraw/zinc/24/81/45/389248145.db2.gz XIMUTTBLAWQVIA-MRVPVSSYSA-N 1 2 256.331 0.563 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csnn1 ZINC000330627469 389248148 /nfs/dbraw/zinc/24/81/48/389248148.db2.gz XIMUTTBLAWQVIA-MRVPVSSYSA-N 1 2 256.331 0.563 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135603055 389260203 /nfs/dbraw/zinc/26/02/03/389260203.db2.gz BIDKMGNLPOHAIE-FZMZJTMJSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135603055 389260204 /nfs/dbraw/zinc/26/02/04/389260204.db2.gz BIDKMGNLPOHAIE-FZMZJTMJSA-N 1 2 283.372 0.888 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc(Cl)cc1 ZINC000136063953 389264359 /nfs/dbraw/zinc/26/43/59/389264359.db2.gz PBQJSEYRONIFKS-UHFFFAOYSA-N 1 2 271.704 0.950 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000329905018 389210658 /nfs/dbraw/zinc/21/06/58/389210658.db2.gz JLXVCTATPIBKQZ-SECBINFHSA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000329905018 389210661 /nfs/dbraw/zinc/21/06/61/389210661.db2.gz JLXVCTATPIBKQZ-SECBINFHSA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329905018 389210664 /nfs/dbraw/zinc/21/06/64/389210664.db2.gz JLXVCTATPIBKQZ-SECBINFHSA-N 1 2 265.317 0.471 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329905018 389210666 /nfs/dbraw/zinc/21/06/66/389210666.db2.gz JLXVCTATPIBKQZ-SECBINFHSA-N 1 2 265.317 0.471 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000361701472 389222636 /nfs/dbraw/zinc/22/26/36/389222636.db2.gz HONMQQCDRMXBIW-UHFFFAOYSA-N 1 2 297.402 0.958 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000330393225 389224202 /nfs/dbraw/zinc/22/42/02/389224202.db2.gz BQUDSCOCVBVHBA-LLVKDONJSA-N 1 2 293.371 0.186 20 30 CCEDLO Cc1[nH]ccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330519938 389237753 /nfs/dbraw/zinc/23/77/53/389237753.db2.gz PVUWVFUXHPOEQU-NSHDSACASA-N 1 2 267.329 0.321 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000330520955 389237962 /nfs/dbraw/zinc/23/79/62/389237962.db2.gz HMVSOMNZOGAYNQ-IUCAKERBSA-N 1 2 286.332 0.051 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000330520955 389237963 /nfs/dbraw/zinc/23/79/63/389237963.db2.gz HMVSOMNZOGAYNQ-IUCAKERBSA-N 1 2 286.332 0.051 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000264155749 389309947 /nfs/dbraw/zinc/30/99/47/389309947.db2.gz JKCBXXPAHXAFNI-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000264155749 389309949 /nfs/dbraw/zinc/30/99/49/389309949.db2.gz JKCBXXPAHXAFNI-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000331697205 389311166 /nfs/dbraw/zinc/31/11/66/389311166.db2.gz VAROXYIIUJWRIJ-SCRDCRAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000331697205 389311168 /nfs/dbraw/zinc/31/11/68/389311168.db2.gz VAROXYIIUJWRIJ-SCRDCRAPSA-N 1 2 268.357 0.557 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCC1 ZINC000332014506 389318677 /nfs/dbraw/zinc/31/86/77/389318677.db2.gz HIKCMISNUATXCW-UHFFFAOYSA-N 1 2 280.372 0.347 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCC1 ZINC000332014506 389318680 /nfs/dbraw/zinc/31/86/80/389318680.db2.gz HIKCMISNUATXCW-UHFFFAOYSA-N 1 2 280.372 0.347 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)OC ZINC000155323573 389318689 /nfs/dbraw/zinc/31/86/89/389318689.db2.gz KWXSAAVXTHDRSU-UWVGGRQHSA-N 1 2 255.318 0.146 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)OC ZINC000155323573 389318692 /nfs/dbraw/zinc/31/86/92/389318692.db2.gz KWXSAAVXTHDRSU-UWVGGRQHSA-N 1 2 255.318 0.146 20 30 CCEDLO N#Cc1nccnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264334281 389322185 /nfs/dbraw/zinc/32/21/85/389322185.db2.gz UHBIBIGCKAUNOV-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346451132 389329559 /nfs/dbraw/zinc/32/95/59/389329559.db2.gz JGGRFIGONZGJKC-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346451132 389329561 /nfs/dbraw/zinc/32/95/61/389329561.db2.gz JGGRFIGONZGJKC-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157422590 389331649 /nfs/dbraw/zinc/33/16/49/389331649.db2.gz MEBBBCPPJXLITN-MCIONIFRSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157422590 389331653 /nfs/dbraw/zinc/33/16/53/389331653.db2.gz MEBBBCPPJXLITN-MCIONIFRSA-N 1 2 297.399 0.466 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C#N)CC1 ZINC000145650084 389272642 /nfs/dbraw/zinc/27/26/42/389272642.db2.gz YTWVGZJGJRUKOE-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)nn1C ZINC000331051799 389297445 /nfs/dbraw/zinc/29/74/45/389297445.db2.gz IQQFTHXIKUPZGL-UHFFFAOYSA-N 1 2 296.371 0.844 20 30 CCEDLO COc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)nn1C ZINC000331051799 389297450 /nfs/dbraw/zinc/29/74/50/389297450.db2.gz IQQFTHXIKUPZGL-UHFFFAOYSA-N 1 2 296.371 0.844 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000153450809 389300657 /nfs/dbraw/zinc/30/06/57/389300657.db2.gz MYGBCDNNJUBYSH-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000153450809 389300659 /nfs/dbraw/zinc/30/06/59/389300659.db2.gz MYGBCDNNJUBYSH-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348373722 389374603 /nfs/dbraw/zinc/37/46/03/389374603.db2.gz CTJYMTGKUYIGNN-DLOVCJGASA-N 1 2 290.323 0.464 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348373722 389374605 /nfs/dbraw/zinc/37/46/05/389374605.db2.gz CTJYMTGKUYIGNN-DLOVCJGASA-N 1 2 290.323 0.464 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000349336636 389411462 /nfs/dbraw/zinc/41/14/62/389411462.db2.gz XQHQKAYTFXDBOP-NSHDSACASA-N 1 2 291.307 0.713 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000269268640 389411826 /nfs/dbraw/zinc/41/18/26/389411826.db2.gz CPTKDFOVWXQGCY-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO N#Cc1cc(F)c(NC[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000269360058 389415399 /nfs/dbraw/zinc/41/53/99/389415399.db2.gz MJIYRJGAMDVPAB-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO CN(CC#N)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C ZINC000348090495 389363963 /nfs/dbraw/zinc/36/39/63/389363963.db2.gz UQHBYARFDZMWBF-YPMHNXCESA-N 1 2 265.336 0.788 20 30 CCEDLO CN(CC#N)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C ZINC000348090495 389363964 /nfs/dbraw/zinc/36/39/64/389363964.db2.gz UQHBYARFDZMWBF-YPMHNXCESA-N 1 2 265.336 0.788 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272497592 389468617 /nfs/dbraw/zinc/46/86/17/389468617.db2.gz DDHNHKRPCSGLPV-AGIUHOORSA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272497592 389468620 /nfs/dbraw/zinc/46/86/20/389468620.db2.gz DDHNHKRPCSGLPV-AGIUHOORSA-N 1 2 299.367 0.740 20 30 CCEDLO C#CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000274059637 389481149 /nfs/dbraw/zinc/48/11/49/389481149.db2.gz IHPPZRSDMOICQZ-UHFFFAOYSA-N 1 2 298.390 0.828 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000373734380 389510920 /nfs/dbraw/zinc/51/09/20/389510920.db2.gz BOBQOTCZOCZSEF-CYBMUJFWSA-N 1 2 288.413 0.689 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3cccnc3n2)C1=O ZINC000281210954 389610906 /nfs/dbraw/zinc/61/09/06/389610906.db2.gz DEDNKQRZHJLCQX-ZDUSSCGKSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3cccnc3n2)C1=O ZINC000281210954 389610907 /nfs/dbraw/zinc/61/09/07/389610907.db2.gz DEDNKQRZHJLCQX-ZDUSSCGKSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(N)=O)c2ccccc2)C1=O ZINC000281254340 389612346 /nfs/dbraw/zinc/61/23/46/389612346.db2.gz HCDXCFITGODWFY-KGLIPLIRSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(N)=O)c2ccccc2)C1=O ZINC000281254340 389612347 /nfs/dbraw/zinc/61/23/47/389612347.db2.gz HCDXCFITGODWFY-KGLIPLIRSA-N 1 2 287.363 0.932 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@H]2CC(C)C)C1=O ZINC000281453807 389616676 /nfs/dbraw/zinc/61/66/76/389616676.db2.gz UWSONKCGRVZFAG-CHWSQXEVSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@H]2CC(C)C)C1=O ZINC000281453807 389616677 /nfs/dbraw/zinc/61/66/77/389616677.db2.gz UWSONKCGRVZFAG-CHWSQXEVSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(C(=O)OC)C2)C1=O ZINC000281964074 389639522 /nfs/dbraw/zinc/63/95/22/389639522.db2.gz KQHXVYUXWVODKC-GWCFXTLKSA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(C(=O)OC)C2)C1=O ZINC000281964074 389639527 /nfs/dbraw/zinc/63/95/27/389639527.db2.gz KQHXVYUXWVODKC-GWCFXTLKSA-N 1 2 270.304 0.360 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H](C)C#N ZINC000351473673 389585462 /nfs/dbraw/zinc/58/54/62/389585462.db2.gz DQSRZEAUGNSTSP-AAEUAGOBSA-N 1 2 283.372 0.782 20 30 CCEDLO CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H](C)C#N ZINC000351473673 389585464 /nfs/dbraw/zinc/58/54/64/389585464.db2.gz DQSRZEAUGNSTSP-AAEUAGOBSA-N 1 2 283.372 0.782 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000182872499 389719782 /nfs/dbraw/zinc/71/97/82/389719782.db2.gz ORKOWYGHIOREFW-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)s1 ZINC000179836552 389663322 /nfs/dbraw/zinc/66/33/22/389663322.db2.gz NLCNRRSVBAPEGA-UHFFFAOYSA-N 1 2 264.354 0.223 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](COC(C)C)C2)C1=O ZINC000375607223 389690674 /nfs/dbraw/zinc/69/06/74/389690674.db2.gz LJGAVLSXXKHRGS-KGLIPLIRSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](COC(C)C)C2)C1=O ZINC000375607223 389690679 /nfs/dbraw/zinc/69/06/79/389690679.db2.gz LJGAVLSXXKHRGS-KGLIPLIRSA-N 1 2 282.384 0.899 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)o1 ZINC000351822634 389691740 /nfs/dbraw/zinc/69/17/40/389691740.db2.gz XQAOIAHZHLXRIE-LLVKDONJSA-N 1 2 277.324 0.944 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119427 389724726 /nfs/dbraw/zinc/72/47/26/389724726.db2.gz LXPYQTFPZAZJPA-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000183119427 389724731 /nfs/dbraw/zinc/72/47/31/389724731.db2.gz LXPYQTFPZAZJPA-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416638931 389762328 /nfs/dbraw/zinc/76/23/28/389762328.db2.gz BXKKVGFNPMHQTM-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416655435 389763770 /nfs/dbraw/zinc/76/37/70/389763770.db2.gz WWXFYIFONRRDOM-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000429140395 389740359 /nfs/dbraw/zinc/74/03/59/389740359.db2.gz HAPMFEBSPPRLIN-UHFFFAOYSA-N 1 2 280.353 0.756 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000429140395 389740361 /nfs/dbraw/zinc/74/03/61/389740361.db2.gz HAPMFEBSPPRLIN-UHFFFAOYSA-N 1 2 280.353 0.756 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352449801 389812436 /nfs/dbraw/zinc/81/24/36/389812436.db2.gz OTKRWOHNWPVBFT-SNVBAGLBSA-N 1 2 284.335 0.937 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484414 389817884 /nfs/dbraw/zinc/81/78/84/389817884.db2.gz OWXPJZGJDXZGAY-MRVPVSSYSA-N 1 2 256.281 0.158 20 30 CCEDLO N#CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000408167990 389830945 /nfs/dbraw/zinc/83/09/45/389830945.db2.gz ZNEPGUQAKURZAH-GFCCVEGCSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000408167990 389830946 /nfs/dbraw/zinc/83/09/46/389830946.db2.gz ZNEPGUQAKURZAH-GFCCVEGCSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@H]2CO)CCCCC1 ZINC000408183879 389831765 /nfs/dbraw/zinc/83/17/65/389831765.db2.gz ULKKVBKKFDPVOK-GFCCVEGCSA-N 1 2 297.424 0.739 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@H]2CO)CCCCC1 ZINC000408183879 389831768 /nfs/dbraw/zinc/83/17/68/389831768.db2.gz ULKKVBKKFDPVOK-GFCCVEGCSA-N 1 2 297.424 0.739 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000440951224 390047349 /nfs/dbraw/zinc/04/73/49/390047349.db2.gz MZMFVFLQMSTUJY-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000440951224 390047350 /nfs/dbraw/zinc/04/73/50/390047350.db2.gz MZMFVFLQMSTUJY-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C#N)C[C@H]1C ZINC000451490188 390002519 /nfs/dbraw/zinc/00/25/19/390002519.db2.gz DCUUNOVDDVTSGT-YRGRVCCFSA-N 1 2 265.357 0.715 20 30 CCEDLO C[C@H](Nc1cncc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000420578323 390013640 /nfs/dbraw/zinc/01/36/40/390013640.db2.gz AWNRPYZYDXQQPZ-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000459484655 390075409 /nfs/dbraw/zinc/07/54/09/390075409.db2.gz UOTVLLHSHNQMQC-VXGBXAGGSA-N 1 2 291.307 0.784 20 30 CCEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000493100784 390118912 /nfs/dbraw/zinc/11/89/12/390118912.db2.gz ZXWYPTGKDPTHCL-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000493100784 390118913 /nfs/dbraw/zinc/11/89/13/390118913.db2.gz ZXWYPTGKDPTHCL-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2C#N)CC1 ZINC000490740562 390107552 /nfs/dbraw/zinc/10/75/52/390107552.db2.gz POCFRCJBEADBCP-UHFFFAOYSA-N 1 2 284.319 0.109 20 30 CCEDLO CN1CCC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000540902062 390226874 /nfs/dbraw/zinc/22/68/74/390226874.db2.gz ZKIIGWNVUWLIQO-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H](C)C#N)C2)CC1 ZINC000541019569 390234228 /nfs/dbraw/zinc/23/42/28/390234228.db2.gz KSPLMVAHAMSDSN-ZIAGYGMSSA-N 1 2 293.415 0.567 20 30 CCEDLO Cc1nnsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583325151 390284147 /nfs/dbraw/zinc/28/41/47/390284147.db2.gz CFTSNCBQNYRRMP-SNVBAGLBSA-N 1 2 253.331 0.420 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ccncc2C#N)[C@@H](C)CO1 ZINC000596430251 390369397 /nfs/dbraw/zinc/36/93/97/390369397.db2.gz KSIWQEOWJSVCSX-RYUDHWBXSA-N 1 2 260.341 0.896 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ccncc2C#N)[C@@H](C)CO1 ZINC000596430251 390369399 /nfs/dbraw/zinc/36/93/99/390369399.db2.gz KSIWQEOWJSVCSX-RYUDHWBXSA-N 1 2 260.341 0.896 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000645403510 390420499 /nfs/dbraw/zinc/42/04/99/390420499.db2.gz CEDLPVWJDGOHHZ-MNOVXSKESA-N 1 2 264.329 0.456 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000645403510 390420502 /nfs/dbraw/zinc/42/05/02/390420502.db2.gz CEDLPVWJDGOHHZ-MNOVXSKESA-N 1 2 264.329 0.456 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000554545071 390432604 /nfs/dbraw/zinc/43/26/04/390432604.db2.gz SASSHZSVUDCEFA-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000554545071 390432608 /nfs/dbraw/zinc/43/26/08/390432608.db2.gz SASSHZSVUDCEFA-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000645238809 390394585 /nfs/dbraw/zinc/39/45/85/390394585.db2.gz DKYOWADPJHUHAW-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000645238809 390394589 /nfs/dbraw/zinc/39/45/89/390394589.db2.gz DKYOWADPJHUHAW-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2n(n1)CCC2 ZINC000519657633 390524777 /nfs/dbraw/zinc/52/47/77/390524777.db2.gz VIPMZPVMQJYWNZ-CYBMUJFWSA-N 1 2 261.329 0.403 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000646641319 390702317 /nfs/dbraw/zinc/70/23/17/390702317.db2.gz IRFRAOILWFJGKK-GFCCVEGCSA-N 1 2 261.325 0.845 20 30 CCEDLO COc1cc[nH+]c(CN2CCN(C(=O)CC#N)CC2)c1 ZINC000568175641 390712385 /nfs/dbraw/zinc/71/23/85/390712385.db2.gz CUOJYMISFVAZRZ-UHFFFAOYSA-N 1 2 274.324 0.648 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000569077527 390715475 /nfs/dbraw/zinc/71/54/75/390715475.db2.gz BHTRJYAEOZBBRH-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000570393435 390718514 /nfs/dbraw/zinc/71/85/14/390718514.db2.gz HNFBDQHDXLHVHC-TZMCWYRMSA-N 1 2 297.424 0.955 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000570393435 390718516 /nfs/dbraw/zinc/71/85/16/390718516.db2.gz HNFBDQHDXLHVHC-TZMCWYRMSA-N 1 2 297.424 0.955 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)NC1CC1 ZINC000527050328 390689893 /nfs/dbraw/zinc/68/98/93/390689893.db2.gz VWDSJKUCAPARKH-SNVBAGLBSA-N 1 2 278.356 0.148 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)NC1CC1 ZINC000527050328 390689895 /nfs/dbraw/zinc/68/98/95/390689895.db2.gz VWDSJKUCAPARKH-SNVBAGLBSA-N 1 2 278.356 0.148 20 30 CCEDLO COc1cnc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000567506114 390702095 /nfs/dbraw/zinc/70/20/95/390702095.db2.gz DPQFEFSWVYDFSA-GFCCVEGCSA-N 1 2 263.301 0.059 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000646638211 390702143 /nfs/dbraw/zinc/70/21/43/390702143.db2.gz LHSZYSKMNJVCKA-LSDHHAIUSA-N 1 2 290.363 0.723 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](COCC)C2)C1=O ZINC000528732100 390772395 /nfs/dbraw/zinc/77/23/95/390772395.db2.gz NNUKDRMWVTZVBM-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](COCC)C2)C1=O ZINC000528732100 390772396 /nfs/dbraw/zinc/77/23/96/390772396.db2.gz NNUKDRMWVTZVBM-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000529079806 390791341 /nfs/dbraw/zinc/79/13/41/390791341.db2.gz RPNSSQMTMCANAB-LBPRGKRZSA-N 1 2 267.373 0.841 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000529079806 390791344 /nfs/dbraw/zinc/79/13/44/390791344.db2.gz RPNSSQMTMCANAB-LBPRGKRZSA-N 1 2 267.373 0.841 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000572716255 390798666 /nfs/dbraw/zinc/79/86/66/390798666.db2.gz ZWCHJUGSZUFDST-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000572716255 390798667 /nfs/dbraw/zinc/79/86/67/390798667.db2.gz ZWCHJUGSZUFDST-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528438187 390744228 /nfs/dbraw/zinc/74/42/28/390744228.db2.gz AWAJOLWRYKFWAE-LBPRGKRZSA-N 1 2 265.357 0.594 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000528438187 390744230 /nfs/dbraw/zinc/74/42/30/390744230.db2.gz AWAJOLWRYKFWAE-LBPRGKRZSA-N 1 2 265.357 0.594 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000528456529 390745922 /nfs/dbraw/zinc/74/59/22/390745922.db2.gz NDHVCTHZBBPUPU-STQMWFEESA-N 1 2 278.352 0.721 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000528456529 390745924 /nfs/dbraw/zinc/74/59/24/390745924.db2.gz NDHVCTHZBBPUPU-STQMWFEESA-N 1 2 278.352 0.721 20 30 CCEDLO CC[C@@](C)(OC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000530476560 390876739 /nfs/dbraw/zinc/87/67/39/390876739.db2.gz YMWSXIDGXWRGAL-CQSZACIVSA-N 1 2 293.371 0.609 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530674789 390877309 /nfs/dbraw/zinc/87/73/09/390877309.db2.gz LRPFGTSZCDCSHK-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530674789 390877311 /nfs/dbraw/zinc/87/73/11/390877311.db2.gz LRPFGTSZCDCSHK-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530957733 390877956 /nfs/dbraw/zinc/87/79/56/390877956.db2.gz DUSWEMJQCNOVPD-UHFFFAOYSA-N 1 2 255.281 0.790 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000532124272 390879075 /nfs/dbraw/zinc/87/90/75/390879075.db2.gz UKKBIEDDTWZWLK-GJZGRUSLSA-N 1 2 285.347 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000532124272 390879078 /nfs/dbraw/zinc/87/90/78/390879078.db2.gz UKKBIEDDTWZWLK-GJZGRUSLSA-N 1 2 285.347 0.642 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000331398609 533406084 /nfs/dbraw/zinc/40/60/84/533406084.db2.gz NGGACNAOUOWIPE-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000331398609 533406086 /nfs/dbraw/zinc/40/60/86/533406086.db2.gz NGGACNAOUOWIPE-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnccc1C#N ZINC000341811762 130072251 /nfs/dbraw/zinc/07/22/51/130072251.db2.gz XVUYYSPEHMFIQO-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO N#Cc1cccc(C2([NH2+]Cc3nc(N)nc(N)n3)CC2)c1 ZINC000341946180 130152709 /nfs/dbraw/zinc/15/27/09/130152709.db2.gz ULMCMGKHBKVVCL-UHFFFAOYSA-N 1 2 281.323 0.347 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368785995 144243969 /nfs/dbraw/zinc/24/39/69/144243969.db2.gz GZCDTXQCGAOOQI-ZDUSSCGKSA-N 1 2 271.320 0.953 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368785995 144243970 /nfs/dbraw/zinc/24/39/70/144243970.db2.gz GZCDTXQCGAOOQI-ZDUSSCGKSA-N 1 2 271.320 0.953 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369416464 144268639 /nfs/dbraw/zinc/26/86/39/144268639.db2.gz GWJHZSKRJAGWHE-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369416464 144268641 /nfs/dbraw/zinc/26/86/41/144268641.db2.gz GWJHZSKRJAGWHE-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccc1F ZINC000370321617 144297675 /nfs/dbraw/zinc/29/76/75/144297675.db2.gz AHEYPRAQNVTSCU-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccc1F ZINC000370321617 144297676 /nfs/dbraw/zinc/29/76/76/144297676.db2.gz AHEYPRAQNVTSCU-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(NC(C)=O)CC2)nn1 ZINC000653526359 412311187 /nfs/dbraw/zinc/31/11/87/412311187.db2.gz ZRCYQUQGJFEXCE-UHFFFAOYSA-N 1 2 277.372 0.955 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661272030 414587570 /nfs/dbraw/zinc/58/75/70/414587570.db2.gz OFQGLAYVVAWYMV-MJBXVCDLSA-N 1 2 295.383 0.446 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661550780 414641731 /nfs/dbraw/zinc/64/17/31/414641731.db2.gz KAUXVLCPXZYNCX-VXGBXAGGSA-N 1 2 265.357 0.905 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662094678 414690780 /nfs/dbraw/zinc/69/07/80/414690780.db2.gz NKHSJYSWJPJRGP-ZJUUUORDSA-N 1 2 252.318 0.717 20 30 CCEDLO C=C[C@H](CO)[NH2+]CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000662168213 414695312 /nfs/dbraw/zinc/69/53/12/414695312.db2.gz YDQYOTBXBMGTQD-SECBINFHSA-N 1 2 281.337 0.145 20 30 CCEDLO Cc1noc(CCNC(=O)N(C)CC[NH+]2CCOCC2)n1 ZINC000329118456 227308982 /nfs/dbraw/zinc/30/89/82/227308982.db2.gz OLRXLIBJTKMEHP-UHFFFAOYSA-N 1 2 297.359 0.099 20 30 CCEDLO O=C(CN1CCOCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329165291 227334609 /nfs/dbraw/zinc/33/46/09/227334609.db2.gz HJRHJAIUDGPSQF-SNVBAGLBSA-N 1 2 264.329 0.556 20 30 CCEDLO O=C(CN1CCOCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329165291 227334614 /nfs/dbraw/zinc/33/46/14/227334614.db2.gz HJRHJAIUDGPSQF-SNVBAGLBSA-N 1 2 264.329 0.556 20 30 CCEDLO O=C(CN1CCOCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330293248 228103860 /nfs/dbraw/zinc/10/38/60/228103860.db2.gz DPUUQGAMYDUQEB-LLVKDONJSA-N 1 2 264.329 0.487 20 30 CCEDLO C[C@H](CNC(=O)[C@H]1CCc2nncn2C1)[NH+]1CCOCC1 ZINC000330350004 228162560 /nfs/dbraw/zinc/16/25/60/228162560.db2.gz KOUCFUNMQPEOOS-NEPJUHHUSA-N 1 2 293.371 0.518 20 30 CCEDLO N#CC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000333620313 228207351 /nfs/dbraw/zinc/20/73/51/228207351.db2.gz ZIHLOWDUTZITBF-UHFFFAOYSA-N 1 2 292.383 0.844 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCNC1=O ZINC000328668741 545018449 /nfs/dbraw/zinc/01/84/49/545018449.db2.gz FHOSHKJFLNHKSC-MNOVXSKESA-N 1 2 284.360 0.330 20 30 CCEDLO Cc1noc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000328908407 545020127 /nfs/dbraw/zinc/02/01/27/545020127.db2.gz CZPGKAGKWPUCTH-UHFFFAOYSA-N 1 2 297.359 0.492 20 30 CCEDLO Cc1noc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000328908407 545020130 /nfs/dbraw/zinc/02/01/30/545020130.db2.gz CZPGKAGKWPUCTH-UHFFFAOYSA-N 1 2 297.359 0.492 20 30 CCEDLO C[C@H](CNC(=O)[C@@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000328948905 545020342 /nfs/dbraw/zinc/02/03/42/545020342.db2.gz HCUFDMUNNCMPEM-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO CCCn1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329385044 545022325 /nfs/dbraw/zinc/02/23/25/545022325.db2.gz RWBYOQFFRBTBMR-GFCCVEGCSA-N 1 2 294.403 0.865 20 30 CCEDLO CCCn1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329385044 545022326 /nfs/dbraw/zinc/02/23/26/545022326.db2.gz RWBYOQFFRBTBMR-GFCCVEGCSA-N 1 2 294.403 0.865 20 30 CCEDLO C[C@H](C(=O)N1CCOC[C@@H]1C#N)[NH+]1CCSCC1 ZINC000408032598 260186364 /nfs/dbraw/zinc/18/63/64/260186364.db2.gz ZILHWZKZHCWZNW-MNOVXSKESA-N 1 2 269.370 0.175 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000049000835 260203004 /nfs/dbraw/zinc/20/30/04/260203004.db2.gz WWJLKUUKOHTFCK-VIFPVBQESA-N 1 2 252.318 0.408 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000049000835 260203006 /nfs/dbraw/zinc/20/30/06/260203006.db2.gz WWJLKUUKOHTFCK-VIFPVBQESA-N 1 2 252.318 0.408 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000408211105 260642787 /nfs/dbraw/zinc/64/27/87/260642787.db2.gz MSBGUCANSDHJFN-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000408211105 260642789 /nfs/dbraw/zinc/64/27/89/260642789.db2.gz MSBGUCANSDHJFN-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO C#CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739581 261197129 /nfs/dbraw/zinc/19/71/29/261197129.db2.gz JGBHYENGWZRMQW-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000490739581 261197131 /nfs/dbraw/zinc/19/71/31/261197131.db2.gz JGBHYENGWZRMQW-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ccc(Br)n2)CC1 ZINC000490892680 261239285 /nfs/dbraw/zinc/23/92/85/261239285.db2.gz NYPTZWLVYGJOIL-UHFFFAOYSA-N 1 2 283.173 0.854 20 30 CCEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000491203318 261369209 /nfs/dbraw/zinc/36/92/09/261369209.db2.gz VALPHPYQLOAQHZ-VSQXVHSFSA-N 1 2 293.348 0.072 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000361825910 261397878 /nfs/dbraw/zinc/39/78/78/261397878.db2.gz ZJSKPVOKMFICBG-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000361825910 261397879 /nfs/dbraw/zinc/39/78/79/261397879.db2.gz ZJSKPVOKMFICBG-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057906103 262350609 /nfs/dbraw/zinc/35/06/09/262350609.db2.gz YEEOUUVJUAXQOS-JTQLQIEISA-N 1 2 266.345 0.845 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000283170513 263081802 /nfs/dbraw/zinc/08/18/02/263081802.db2.gz UNVJYIVIXHUIIM-PILJQMSFSA-N 1 2 276.340 0.919 20 30 CCEDLO Cn1nnc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000283469861 263082913 /nfs/dbraw/zinc/08/29/13/263082913.db2.gz GOTLYZVGXNHCJG-UHFFFAOYSA-N 1 2 280.719 0.895 20 30 CCEDLO CCCc1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284378321 263086704 /nfs/dbraw/zinc/08/67/04/263086704.db2.gz LWDKJTRHGCXMEC-QMMMGPOBSA-N 1 2 254.290 0.990 20 30 CCEDLO COc1cncc(CO[NH+]=C(N)C(C)(C)NC(C)=O)c1 ZINC000288722564 263105767 /nfs/dbraw/zinc/10/57/67/263105767.db2.gz WCXQUNDYIHHHMW-UHFFFAOYSA-N 1 2 280.328 0.794 20 30 CCEDLO CN(C)c1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000289474257 263110517 /nfs/dbraw/zinc/11/05/17/263110517.db2.gz XJHUVOHJAGDMJJ-SSDOTTSWSA-N 1 2 255.278 0.103 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3CN(CC#N)C[C@H]32)c[nH+]1 ZINC000960543749 649855499 /nfs/dbraw/zinc/85/54/99/649855499.db2.gz ZXCIQHHBEVEYFN-ITGUQSILSA-N 1 2 287.367 0.497 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330483851 263948947 /nfs/dbraw/zinc/94/89/47/263948947.db2.gz VVCWXCZTYKCQSM-SNVBAGLBSA-N 1 2 267.333 0.323 20 30 CCEDLO CCn1nncc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330483851 263948948 /nfs/dbraw/zinc/94/89/48/263948948.db2.gz VVCWXCZTYKCQSM-SNVBAGLBSA-N 1 2 267.333 0.323 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[S@@]1=O ZINC000330632759 264001034 /nfs/dbraw/zinc/00/10/34/264001034.db2.gz RJUIURAZDINVTD-VOJFVSQTSA-N 1 2 271.386 0.201 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[S@@]1=O ZINC000330632759 264001036 /nfs/dbraw/zinc/00/10/36/264001036.db2.gz RJUIURAZDINVTD-VOJFVSQTSA-N 1 2 271.386 0.201 20 30 CCEDLO CCn1cc[nH+]c1CN(C)CCNC(=O)N(C)C ZINC000330691412 264003589 /nfs/dbraw/zinc/00/35/89/264003589.db2.gz GLLATOVMZFVCBH-UHFFFAOYSA-N 1 2 253.350 0.810 20 30 CCEDLO CCn1ccnc1C[N@H+](C)CCNC(=O)N(C)C ZINC000330691412 264003590 /nfs/dbraw/zinc/00/35/90/264003590.db2.gz GLLATOVMZFVCBH-UHFFFAOYSA-N 1 2 253.350 0.810 20 30 CCEDLO CCn1ccnc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000330691412 264003594 /nfs/dbraw/zinc/00/35/94/264003594.db2.gz GLLATOVMZFVCBH-UHFFFAOYSA-N 1 2 253.350 0.810 20 30 CCEDLO COC[C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330690604 264003743 /nfs/dbraw/zinc/00/37/43/264003743.db2.gz FUGLKQHUBVKXDB-NEPJUHHUSA-N 1 2 272.393 0.018 20 30 CCEDLO COC[C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330690604 264003745 /nfs/dbraw/zinc/00/37/45/264003745.db2.gz FUGLKQHUBVKXDB-NEPJUHHUSA-N 1 2 272.393 0.018 20 30 CCEDLO C[C@@H](O)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330795124 264040195 /nfs/dbraw/zinc/04/01/95/264040195.db2.gz WPHJSISUDYFOBC-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@@H](O)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330795124 264040197 /nfs/dbraw/zinc/04/01/97/264040197.db2.gz WPHJSISUDYFOBC-LLVKDONJSA-N 1 2 273.377 0.372 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000330949421 264085933 /nfs/dbraw/zinc/08/59/33/264085933.db2.gz NOCAYWSPAUBDKN-VHSXEESVSA-N 1 2 271.361 0.924 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000330949421 264085935 /nfs/dbraw/zinc/08/59/35/264085935.db2.gz NOCAYWSPAUBDKN-VHSXEESVSA-N 1 2 271.361 0.924 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000330954740 264087551 /nfs/dbraw/zinc/08/75/51/264087551.db2.gz GUOFUZQAPCBPGZ-GXTWGEPZSA-N 1 2 299.440 0.841 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000330954740 264087553 /nfs/dbraw/zinc/08/75/53/264087553.db2.gz GUOFUZQAPCBPGZ-GXTWGEPZSA-N 1 2 299.440 0.841 20 30 CCEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331007265 264106239 /nfs/dbraw/zinc/10/62/39/264106239.db2.gz TVWPPHMVKLILLR-NSHDSACASA-N 1 2 282.388 0.609 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000331007265 264106242 /nfs/dbraw/zinc/10/62/42/264106242.db2.gz TVWPPHMVKLILLR-NSHDSACASA-N 1 2 282.388 0.609 20 30 CCEDLO CO[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000331009854 264107387 /nfs/dbraw/zinc/10/73/87/264107387.db2.gz RLIJEQOAGJWNKF-VHSXEESVSA-N 1 2 252.318 0.991 20 30 CCEDLO CN(CC(=O)NCC#N)Cc1cn2c([nH+]1)CCCC2 ZINC000331199287 264159348 /nfs/dbraw/zinc/15/93/48/264159348.db2.gz UEJQVKXTILZBJM-UHFFFAOYSA-N 1 2 261.329 0.291 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000073298300 264283450 /nfs/dbraw/zinc/28/34/50/264283450.db2.gz CUOYGAPFQGMCSH-UHFFFAOYSA-N 1 2 281.363 0.963 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000424902036 264372546 /nfs/dbraw/zinc/37/25/46/264372546.db2.gz HQONMXGEUPHJJK-STQMWFEESA-N 1 2 297.399 0.150 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000424902036 264372547 /nfs/dbraw/zinc/37/25/47/264372547.db2.gz HQONMXGEUPHJJK-STQMWFEESA-N 1 2 297.399 0.150 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CSCC#N)CC1 ZINC000106030587 264921644 /nfs/dbraw/zinc/92/16/44/264921644.db2.gz ZLPQJODJGJUMAY-UHFFFAOYSA-N 1 2 293.396 0.321 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000347707759 265135999 /nfs/dbraw/zinc/13/59/99/265135999.db2.gz YLORSAXLFNHFCI-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000347707759 265136002 /nfs/dbraw/zinc/13/60/02/265136002.db2.gz YLORSAXLFNHFCI-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000361112304 266786791 /nfs/dbraw/zinc/78/67/91/266786791.db2.gz XZZHUTFBLURNST-SRVKXCTJSA-N 1 2 257.330 0.888 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000367952161 267130754 /nfs/dbraw/zinc/13/07/54/267130754.db2.gz NRCGPDXUDUIIMT-GFCCVEGCSA-N 1 2 267.354 0.873 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000370400105 267316368 /nfs/dbraw/zinc/31/63/68/267316368.db2.gz WYRZQQXDBRIBHQ-GFCCVEGCSA-N 1 2 268.357 0.295 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335554605 294832215 /nfs/dbraw/zinc/83/22/15/294832215.db2.gz XJXRWZYMQLRZMG-CMPLNLGQSA-N 1 2 276.365 0.913 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCO1 ZINC000329101644 297320358 /nfs/dbraw/zinc/32/03/58/297320358.db2.gz NCPOQIXQHIXLPT-LPWJVIDDSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCO1 ZINC000329101644 297320360 /nfs/dbraw/zinc/32/03/60/297320360.db2.gz NCPOQIXQHIXLPT-LPWJVIDDSA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@H](C(=O)N1CCSC[C@H]1C#N)[NH+]1CCSCC1 ZINC000335959751 298069985 /nfs/dbraw/zinc/06/99/85/298069985.db2.gz YTKCXVMDCMCCLS-GHMZBOCLSA-N 1 2 285.438 0.891 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2cccnc2)CC1 ZINC000563361221 328058545 /nfs/dbraw/zinc/05/85/45/328058545.db2.gz DYTHQVSPJNRXEC-UHFFFAOYSA-N 1 2 258.325 0.682 20 30 CCEDLO COc1ccccc1N1CC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000275534034 328215032 /nfs/dbraw/zinc/21/50/32/328215032.db2.gz QYPKFQPGTGVBLG-LBPRGKRZSA-N 1 2 293.323 0.472 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000293336172 328275266 /nfs/dbraw/zinc/27/52/66/328275266.db2.gz CYEXZNWSQHBGPE-UHFFFAOYSA-N 1 2 277.324 0.968 20 30 CCEDLO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cn[nH]c1 ZINC000328874844 328459317 /nfs/dbraw/zinc/45/93/17/328459317.db2.gz RUPKUBIIOPVFLF-AAEUAGOBSA-N 1 2 293.371 0.791 20 30 CCEDLO CCn1nccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330682458 328466355 /nfs/dbraw/zinc/46/63/55/328466355.db2.gz HPIMWXBNZACUQJ-NSHDSACASA-N 1 2 281.360 0.950 20 30 CCEDLO C#CCN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000292438989 328537333 /nfs/dbraw/zinc/53/73/33/328537333.db2.gz NULHONCMDJZVRP-UHFFFAOYSA-N 1 2 288.351 0.693 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000521048886 327016809 /nfs/dbraw/zinc/01/68/09/327016809.db2.gz DKDBFJNKMYOVQL-GFCCVEGCSA-N 1 2 250.302 0.141 20 30 CCEDLO N#CCCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212641 327184449 /nfs/dbraw/zinc/18/44/49/327184449.db2.gz AHXAXXAZBCLWID-UHFFFAOYSA-N 1 2 256.331 0.496 20 30 CCEDLO COc1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1F ZINC000111181951 327277369 /nfs/dbraw/zinc/27/73/69/327277369.db2.gz NEDTUKQOKSSPDZ-UHFFFAOYSA-N 1 2 297.330 0.955 20 30 CCEDLO C#CCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000154782161 327386417 /nfs/dbraw/zinc/38/64/17/327386417.db2.gz QRVZMHLYOKYMRG-UHFFFAOYSA-N 1 2 294.376 0.385 20 30 CCEDLO CC1(C(N)=O)C[NH+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000575284519 327446762 /nfs/dbraw/zinc/44/67/62/327446762.db2.gz QAMFPBOVSFHOHM-UHFFFAOYSA-N 1 2 278.356 0.136 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCOCC1 ZINC000570454231 327592983 /nfs/dbraw/zinc/59/29/83/327592983.db2.gz BPXFPGCSMICHIP-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000377434919 329015149 /nfs/dbraw/zinc/01/51/49/329015149.db2.gz YWSASBQLNIGHPM-ZDUSSCGKSA-N 1 2 286.397 0.136 20 30 CCEDLO C#CCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173321004 329145767 /nfs/dbraw/zinc/14/57/67/329145767.db2.gz BRLFTIUJZNYUKF-AWEZNQCLSA-N 1 2 279.384 0.906 20 30 CCEDLO C#CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173320989 329147705 /nfs/dbraw/zinc/14/77/05/329147705.db2.gz BRLFTIUJZNYUKF-CQSZACIVSA-N 1 2 279.384 0.906 20 30 CCEDLO N#CCC[N@@H+](CC(=O)N1CCOCC1)CC1CC1 ZINC000176255557 329172737 /nfs/dbraw/zinc/17/27/37/329172737.db2.gz ICEKSSJKXAUULF-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO N#CCC[N@H+](CC(=O)N1CCOCC1)CC1CC1 ZINC000176255557 329172739 /nfs/dbraw/zinc/17/27/39/329172739.db2.gz ICEKSSJKXAUULF-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO N#CCC[N@@H+](CC(=O)NC[C@H]1CCCO1)CC1CC1 ZINC000177030044 329178551 /nfs/dbraw/zinc/17/85/51/329178551.db2.gz ZVTQDAXQFZJKNL-CYBMUJFWSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCC[N@H+](CC(=O)NC[C@H]1CCCO1)CC1CC1 ZINC000177030044 329178553 /nfs/dbraw/zinc/17/85/53/329178553.db2.gz ZVTQDAXQFZJKNL-CYBMUJFWSA-N 1 2 265.357 0.907 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000184437864 329257953 /nfs/dbraw/zinc/25/79/53/329257953.db2.gz XEJGPGRULPZCFK-CYBMUJFWSA-N 1 2 288.413 0.546 20 30 CCEDLO C=CCC1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000188306435 329366004 /nfs/dbraw/zinc/36/60/04/329366004.db2.gz HPXDBVJQRCCYQK-UHFFFAOYSA-N 1 2 252.358 0.869 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000188614748 329371331 /nfs/dbraw/zinc/37/13/31/329371331.db2.gz AWBCABKCSIDCPA-DZGCQCFKSA-N 1 2 289.331 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000188614748 329371332 /nfs/dbraw/zinc/37/13/32/329371332.db2.gz AWBCABKCSIDCPA-DZGCQCFKSA-N 1 2 289.331 0.807 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189323984 329379769 /nfs/dbraw/zinc/37/97/69/329379769.db2.gz GKBBYWWAFVOIEY-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189323984 329379771 /nfs/dbraw/zinc/37/97/71/329379771.db2.gz GKBBYWWAFVOIEY-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000271150160 330078064 /nfs/dbraw/zinc/07/80/64/330078064.db2.gz QFMJRKRLHZDNBJ-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000271150160 330078062 /nfs/dbraw/zinc/07/80/62/330078062.db2.gz QFMJRKRLHZDNBJ-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)CC(C)(C)C#N ZINC000433297939 330216570 /nfs/dbraw/zinc/21/65/70/330216570.db2.gz XWEYWNOMLGQMQQ-LBPRGKRZSA-N 1 2 255.362 0.161 20 30 CCEDLO C=CCC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000450899631 331005855 /nfs/dbraw/zinc/00/58/55/331005855.db2.gz SYKUEOGMFSCKFU-JTQLQIEISA-N 1 2 251.334 0.407 20 30 CCEDLO C=CCC[C@@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000450899631 331005856 /nfs/dbraw/zinc/00/58/56/331005856.db2.gz SYKUEOGMFSCKFU-JTQLQIEISA-N 1 2 251.334 0.407 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000195310027 331168224 /nfs/dbraw/zinc/16/82/24/331168224.db2.gz RHQRVFSLIIGKRX-CQSZACIVSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000457755459 331233284 /nfs/dbraw/zinc/23/32/84/331233284.db2.gz PYJLWKPIWYHIHJ-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000489293552 332045638 /nfs/dbraw/zinc/04/56/38/332045638.db2.gz KTXIXRYCEJKBFF-LBPRGKRZSA-N 1 2 275.418 0.118 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000489293552 332045640 /nfs/dbraw/zinc/04/56/40/332045640.db2.gz KTXIXRYCEJKBFF-LBPRGKRZSA-N 1 2 275.418 0.118 20 30 CCEDLO C#CCN(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000490618316 332096087 /nfs/dbraw/zinc/09/60/87/332096087.db2.gz VVHHOCNWNQWJEY-OLZOCXBDSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000490690497 332104710 /nfs/dbraw/zinc/10/47/10/332104710.db2.gz SAFMSIYOZAIHFV-CYBMUJFWSA-N 1 2 258.325 0.940 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490738732 332110044 /nfs/dbraw/zinc/11/00/44/332110044.db2.gz CSYFHCABXHOHOV-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000490738732 332110046 /nfs/dbraw/zinc/11/00/46/332110046.db2.gz CSYFHCABXHOHOV-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)nc2)CC1 ZINC000490761723 332113648 /nfs/dbraw/zinc/11/36/48/332113648.db2.gz VYJBXINFXMGHMG-UHFFFAOYSA-N 1 2 273.336 0.546 20 30 CCEDLO C#CC[N@@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490865508 332121550 /nfs/dbraw/zinc/12/15/50/332121550.db2.gz CULCZULQIIJTTR-GFCCVEGCSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490865508 332121551 /nfs/dbraw/zinc/12/15/51/332121551.db2.gz CULCZULQIIJTTR-GFCCVEGCSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000490876573 332124439 /nfs/dbraw/zinc/12/44/39/332124439.db2.gz UWEVPGXAGZKTSY-OLZOCXBDSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000490876573 332124442 /nfs/dbraw/zinc/12/44/42/332124442.db2.gz UWEVPGXAGZKTSY-OLZOCXBDSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000491201781 332164734 /nfs/dbraw/zinc/16/47/34/332164734.db2.gz JMRWDXVQAIBRSN-UHFFFAOYSA-N 1 2 272.352 0.746 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000491252145 332174284 /nfs/dbraw/zinc/17/42/84/332174284.db2.gz FUHWWLFRTDGBDP-LBPRGKRZSA-N 1 2 255.277 0.809 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000491384800 332201926 /nfs/dbraw/zinc/20/19/26/332201926.db2.gz PQPHYMILBOXEOE-NEPJUHHUSA-N 1 2 259.309 0.306 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000491485926 332220499 /nfs/dbraw/zinc/22/04/99/332220499.db2.gz RLCIQBKEPHMRKJ-SNVBAGLBSA-N 1 2 280.328 0.348 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000491485926 332220500 /nfs/dbraw/zinc/22/05/00/332220500.db2.gz RLCIQBKEPHMRKJ-SNVBAGLBSA-N 1 2 280.328 0.348 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccccn2)CC1 ZINC000491554309 332236663 /nfs/dbraw/zinc/23/66/63/332236663.db2.gz IBQGOHAKQMLLEJ-UHFFFAOYSA-N 1 2 286.379 0.291 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccccn2)CC1 ZINC000491554309 332236666 /nfs/dbraw/zinc/23/66/66/332236666.db2.gz IBQGOHAKQMLLEJ-UHFFFAOYSA-N 1 2 286.379 0.291 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000491616855 332243937 /nfs/dbraw/zinc/24/39/37/332243937.db2.gz JLMMUBQIFOAICM-CQSZACIVSA-N 1 2 276.340 0.732 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000491627886 332251143 /nfs/dbraw/zinc/25/11/43/332251143.db2.gz MXCZSAZQMHDXFF-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491640400 332260317 /nfs/dbraw/zinc/26/03/17/332260317.db2.gz OLCSGZQJNVKJAZ-GHMZBOCLSA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491640400 332260318 /nfs/dbraw/zinc/26/03/18/332260318.db2.gz OLCSGZQJNVKJAZ-GHMZBOCLSA-N 1 2 274.324 0.311 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491659168 332269846 /nfs/dbraw/zinc/26/98/46/332269846.db2.gz KWKZGIQJXQQXCD-CYBMUJFWSA-N 1 2 269.304 0.737 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(C)C2=O)n1 ZINC000491676738 332282016 /nfs/dbraw/zinc/28/20/16/332282016.db2.gz XCBIMTADNAEAOH-AWEZNQCLSA-N 1 2 274.368 0.959 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(C)C2=O)n1 ZINC000491676738 332282017 /nfs/dbraw/zinc/28/20/17/332282017.db2.gz XCBIMTADNAEAOH-AWEZNQCLSA-N 1 2 274.368 0.959 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000491678659 332283174 /nfs/dbraw/zinc/28/31/74/332283174.db2.gz BWQNGFHXLIQTMX-GJZGRUSLSA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000491678659 332283175 /nfs/dbraw/zinc/28/31/75/332283175.db2.gz BWQNGFHXLIQTMX-GJZGRUSLSA-N 1 2 286.331 0.632 20 30 CCEDLO C#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000491729088 332311538 /nfs/dbraw/zinc/31/15/38/332311538.db2.gz MSLRUHIDFWXUPS-UFFNRZRYSA-N 1 2 293.348 0.072 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491748707 332325907 /nfs/dbraw/zinc/32/59/07/332325907.db2.gz TZJCPZJGHIIPCP-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491748707 332325908 /nfs/dbraw/zinc/32/59/08/332325908.db2.gz TZJCPZJGHIIPCP-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000491774345 332340455 /nfs/dbraw/zinc/34/04/55/332340455.db2.gz UDVZYUPYSUJRCY-RYUDHWBXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000491774345 332340456 /nfs/dbraw/zinc/34/04/56/332340456.db2.gz UDVZYUPYSUJRCY-RYUDHWBXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819301 332369348 /nfs/dbraw/zinc/36/93/48/332369348.db2.gz STFUYOFVJGPVLA-GXTWGEPZSA-N 1 2 295.408 0.870 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819301 332369349 /nfs/dbraw/zinc/36/93/49/332369349.db2.gz STFUYOFVJGPVLA-GXTWGEPZSA-N 1 2 295.408 0.870 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)CN(C)C ZINC000493829608 332455652 /nfs/dbraw/zinc/45/56/52/332455652.db2.gz XJTPBCSERMPCRM-LMVHVUTASA-N 1 2 275.356 0.876 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000516930365 333086555 /nfs/dbraw/zinc/08/65/55/333086555.db2.gz MLNOSURAFWOOSB-LALPHHSUSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000192230604 333232916 /nfs/dbraw/zinc/23/29/16/333232916.db2.gz KKLIBNVUDNOILU-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000192230604 333232918 /nfs/dbraw/zinc/23/29/18/333232918.db2.gz KKLIBNVUDNOILU-UHFFFAOYSA-N 1 2 266.341 0.353 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000339014150 335141258 /nfs/dbraw/zinc/14/12/58/335141258.db2.gz PPVPCUILXPTBHX-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000339014150 335141259 /nfs/dbraw/zinc/14/12/59/335141259.db2.gz PPVPCUILXPTBHX-LLVKDONJSA-N 1 2 256.302 0.181 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)CC1CCC1 ZINC000075828060 334053166 /nfs/dbraw/zinc/05/31/66/334053166.db2.gz BQYDZVSOYNDJML-UHFFFAOYSA-N 1 2 279.384 0.693 20 30 CCEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000133934427 334072881 /nfs/dbraw/zinc/07/28/81/334072881.db2.gz KPNNIIJGWWOJPD-CQSZACIVSA-N 1 2 280.372 0.381 20 30 CCEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000133934427 334072883 /nfs/dbraw/zinc/07/28/83/334072883.db2.gz KPNNIIJGWWOJPD-CQSZACIVSA-N 1 2 280.372 0.381 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1=O ZINC000547400429 334085864 /nfs/dbraw/zinc/08/58/64/334085864.db2.gz XDKPYXPYQOTNLM-LBPRGKRZSA-N 1 2 276.340 0.208 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)OC ZINC000245772751 334218811 /nfs/dbraw/zinc/21/88/11/334218811.db2.gz KWXSAAVXTHDRSU-NXEZZACHSA-N 1 2 255.318 0.146 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)OC ZINC000245772751 334218812 /nfs/dbraw/zinc/21/88/12/334218812.db2.gz KWXSAAVXTHDRSU-NXEZZACHSA-N 1 2 255.318 0.146 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246016401 334227976 /nfs/dbraw/zinc/22/79/76/334227976.db2.gz KWNIUQMYSQCXNL-MWLCHTKSSA-N 1 2 295.305 0.896 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246016401 334227977 /nfs/dbraw/zinc/22/79/77/334227977.db2.gz KWNIUQMYSQCXNL-MWLCHTKSSA-N 1 2 295.305 0.896 20 30 CCEDLO CCNC(=O)C[N@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000576824406 335252526 /nfs/dbraw/zinc/25/25/26/335252526.db2.gz RMXUNOJSOPVMMI-UHFFFAOYSA-N 1 2 286.339 0.559 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000576824406 335252528 /nfs/dbraw/zinc/25/25/28/335252528.db2.gz RMXUNOJSOPVMMI-UHFFFAOYSA-N 1 2 286.339 0.559 20 30 CCEDLO C#CC[NH+]1CCN(c2ncncc2C(=O)OC)CC1 ZINC000383711980 336116769 /nfs/dbraw/zinc/11/67/69/336116769.db2.gz IPGMMOCDCYAFBF-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387910 336193381 /nfs/dbraw/zinc/19/33/81/336193381.db2.gz ZJMPCGOGIQLRAB-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC(=O)N1 ZINC000387387910 336193382 /nfs/dbraw/zinc/19/33/82/336193382.db2.gz ZJMPCGOGIQLRAB-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000267485948 534395398 /nfs/dbraw/zinc/39/53/98/534395398.db2.gz DRNQDPSUGICIMP-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1CCO ZINC000428166201 534411792 /nfs/dbraw/zinc/41/17/92/534411792.db2.gz MZTGRVMCNPYFLT-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1CCO ZINC000428166201 534411797 /nfs/dbraw/zinc/41/17/97/534411797.db2.gz MZTGRVMCNPYFLT-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665941149 545110112 /nfs/dbraw/zinc/11/01/12/545110112.db2.gz UJFSYSGDRXFGDO-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665941149 545110113 /nfs/dbraw/zinc/11/01/13/545110113.db2.gz UJFSYSGDRXFGDO-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCN1CC[C@H](SCC[NH+]2CCOCC2)C1=O ZINC000347691887 526517192 /nfs/dbraw/zinc/51/71/92/526517192.db2.gz CQNWDQBAMVEAGJ-LBPRGKRZSA-N 1 2 270.398 0.839 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnc(C)n2)CC1 ZINC000350437627 526538555 /nfs/dbraw/zinc/53/85/55/526538555.db2.gz GKSLHVWTIQTNMN-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000350437627 526538564 /nfs/dbraw/zinc/53/85/64/526538564.db2.gz GKSLHVWTIQTNMN-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666449307 545123210 /nfs/dbraw/zinc/12/32/10/545123210.db2.gz BCJWRRQSCKWIGM-YPMHNXCESA-N 1 2 278.356 0.859 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352753790 527476337 /nfs/dbraw/zinc/47/63/37/527476337.db2.gz PHIBOJKIPDRRDQ-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352753790 527476344 /nfs/dbraw/zinc/47/63/44/527476344.db2.gz PHIBOJKIPDRRDQ-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080441 545228371 /nfs/dbraw/zinc/22/83/71/545228371.db2.gz QUYSBBXNXXXKLR-JTQLQIEISA-N 1 2 264.329 0.628 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355027331 528847735 /nfs/dbraw/zinc/84/77/35/528847735.db2.gz CFTZOUCDVUDKMA-CQSZACIVSA-N 1 2 297.403 0.244 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355027331 528847740 /nfs/dbraw/zinc/84/77/40/528847740.db2.gz CFTZOUCDVUDKMA-CQSZACIVSA-N 1 2 297.403 0.244 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331470270 529158718 /nfs/dbraw/zinc/15/87/18/529158718.db2.gz WBVSQOGDNHTAKF-ZDUSSCGKSA-N 1 2 278.400 0.822 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332687015 529347633 /nfs/dbraw/zinc/34/76/33/529347633.db2.gz JLMHXHOPZMFRKO-OUCADQQQSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332687015 529347635 /nfs/dbraw/zinc/34/76/35/529347635.db2.gz JLMHXHOPZMFRKO-OUCADQQQSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332687019 529347902 /nfs/dbraw/zinc/34/79/02/529347902.db2.gz JLMHXHOPZMFRKO-YRGRVCCFSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332687019 529347903 /nfs/dbraw/zinc/34/79/03/529347903.db2.gz JLMHXHOPZMFRKO-YRGRVCCFSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCOCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679529088 545411052 /nfs/dbraw/zinc/41/10/52/545411052.db2.gz VWBHELSMXPNTBH-UHFFFAOYSA-N 1 2 288.307 0.592 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C#N)c1 ZINC000318268395 536697454 /nfs/dbraw/zinc/69/74/54/536697454.db2.gz DFHZXIPPZSODNH-ZDUSSCGKSA-N 1 2 298.302 0.795 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(C#N)c1 ZINC000318268395 536697468 /nfs/dbraw/zinc/69/74/68/536697468.db2.gz DFHZXIPPZSODNH-ZDUSSCGKSA-N 1 2 298.302 0.795 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cc([N+](=O)[O-])ccc2O)N1 ZINC000779803058 581114169 /nfs/dbraw/zinc/11/41/69/581114169.db2.gz MVUNLATVKLRKMF-ZETCQYMHSA-N 1 2 263.257 0.572 20 30 CCEDLO CN(CCO)c1ccc(C=[NH+]N2CCCNC2=O)cc1 ZINC000777898774 581138477 /nfs/dbraw/zinc/13/84/77/581138477.db2.gz QJVNMDSTSIOBAI-UHFFFAOYSA-N 1 2 276.340 0.864 20 30 CCEDLO CCc1cc(N)nc(SCC(=O)NCCC#N)[nH+]1 ZINC000790324585 581183686 /nfs/dbraw/zinc/18/36/86/581183686.db2.gz JWSQFYCAMXXYSC-UHFFFAOYSA-N 1 2 265.342 0.743 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)c[nH]1 ZINC000779560579 581191146 /nfs/dbraw/zinc/19/11/46/581191146.db2.gz DYFQLZTUGFDDIW-NSHDSACASA-N 1 2 287.279 0.054 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000780213202 581222565 /nfs/dbraw/zinc/22/25/65/581222565.db2.gz DKUHPPGRNVARPO-CQSZACIVSA-N 1 2 290.319 0.467 20 30 CCEDLO N#CCC1CCN(C(=S)NCC[NH+]2CCOCC2)CC1 ZINC000781546280 581271536 /nfs/dbraw/zinc/27/15/36/581271536.db2.gz DALLRQSXJABDPB-UHFFFAOYSA-N 1 2 296.440 0.819 20 30 CCEDLO CCCN1C(=O)C(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781572476 581272080 /nfs/dbraw/zinc/27/20/80/581272080.db2.gz QHAFWZMYPNRCSZ-UHFFFAOYSA-N 1 2 292.339 0.770 20 30 CCEDLO N#CCCNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000782063981 581286772 /nfs/dbraw/zinc/28/67/72/581286772.db2.gz ZJMKZIHNHCOIGS-NSHDSACASA-N 1 2 283.278 0.618 20 30 CCEDLO COc1ccccc1C[N@H+](CCO)CC(=O)NCCC#N ZINC000728572346 581364392 /nfs/dbraw/zinc/36/43/92/581364392.db2.gz YRXFZLZVEZAAHQ-UHFFFAOYSA-N 1 2 291.351 0.519 20 30 CCEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)NCCC#N ZINC000728572346 581364394 /nfs/dbraw/zinc/36/43/94/581364394.db2.gz YRXFZLZVEZAAHQ-UHFFFAOYSA-N 1 2 291.351 0.519 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccccn1 ZINC000796011815 581429823 /nfs/dbraw/zinc/42/98/23/581429823.db2.gz UYPXMVKYMZOCJU-OAHLLOKOSA-N 1 2 289.335 0.199 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COCc2nnc(C)s2)CC1 ZINC000796429838 581440306 /nfs/dbraw/zinc/44/03/06/581440306.db2.gz PCCWAHFQNJHPLG-UHFFFAOYSA-N 1 2 294.380 0.141 20 30 CCEDLO C#CCn1cc(CNc2[nH+]cnc3c2cnn3C)cn1 ZINC000787887014 581480582 /nfs/dbraw/zinc/48/05/82/581480582.db2.gz XDSGAVQKLQKUFN-UHFFFAOYSA-N 1 2 267.296 0.805 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000728864560 581514589 /nfs/dbraw/zinc/51/45/89/581514589.db2.gz LURAJDGLEWBGCZ-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cn1 ZINC000728864560 581514591 /nfs/dbraw/zinc/51/45/91/581514591.db2.gz LURAJDGLEWBGCZ-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000728865164 581515394 /nfs/dbraw/zinc/51/53/94/581515394.db2.gz YYOWUAIYWMCWOQ-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000728865164 581515395 /nfs/dbraw/zinc/51/53/95/581515395.db2.gz YYOWUAIYWMCWOQ-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000729140485 581553568 /nfs/dbraw/zinc/55/35/68/581553568.db2.gz ITUPUNVMRKKYAL-LLVKDONJSA-N 1 2 284.429 0.959 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC000729161950 581555399 /nfs/dbraw/zinc/55/53/99/581555399.db2.gz SCNLVSXSSXTAHL-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729161950 581555401 /nfs/dbraw/zinc/55/54/01/581555401.db2.gz SCNLVSXSSXTAHL-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000729604726 581606670 /nfs/dbraw/zinc/60/66/70/581606670.db2.gz AVTYPFHEJSSMMX-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000729604726 581606673 /nfs/dbraw/zinc/60/66/73/581606673.db2.gz AVTYPFHEJSSMMX-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C#CCOCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000755491580 581642175 /nfs/dbraw/zinc/64/21/75/581642175.db2.gz RFDPPAXPYXLKIV-UHFFFAOYSA-N 1 2 261.325 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1ccco1 ZINC000730276465 581689763 /nfs/dbraw/zinc/68/97/63/581689763.db2.gz NBTJLFZLLTYISP-RYUDHWBXSA-N 1 2 262.309 0.527 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1ccco1 ZINC000730276465 581689766 /nfs/dbraw/zinc/68/97/66/581689766.db2.gz NBTJLFZLLTYISP-RYUDHWBXSA-N 1 2 262.309 0.527 20 30 CCEDLO Cn1ncc2c1nc(N=NC1C[NH+]3CCC1CC3)[nH]c2=O ZINC000769820033 581709447 /nfs/dbraw/zinc/70/94/47/581709447.db2.gz ULNBHPFVOVQKLU-UHFFFAOYSA-N 1 2 287.327 0.562 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1cc(C#N)ccc1F ZINC000740874685 581720601 /nfs/dbraw/zinc/72/06/01/581720601.db2.gz BHGPWHKJSGESLC-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1cc(C#N)ccc1F ZINC000740874685 581720604 /nfs/dbraw/zinc/72/06/04/581720604.db2.gz BHGPWHKJSGESLC-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO Cc1ccn(C[NH+]2CCC3(CC2)OCCO3)c(=O)c1C#N ZINC000758187995 581725819 /nfs/dbraw/zinc/72/58/19/581725819.db2.gz WPAIMNDCOMVDEJ-UHFFFAOYSA-N 1 2 289.335 0.825 20 30 CCEDLO CN(C)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cc1 ZINC000731154739 581755306 /nfs/dbraw/zinc/75/53/06/581755306.db2.gz AOVIFZHBOQMBIW-UHFFFAOYSA-N 1 2 297.322 0.944 20 30 CCEDLO C#CCOCCC(=O)OCCCc1[nH+]ccn1C ZINC000788042714 581805992 /nfs/dbraw/zinc/80/59/92/581805992.db2.gz NNGBXFQLPTVCPT-UHFFFAOYSA-N 1 2 250.298 0.936 20 30 CCEDLO C=CCNC(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000759813488 581824860 /nfs/dbraw/zinc/82/48/60/581824860.db2.gz BUFWLWMYIRVCIY-UHFFFAOYSA-N 1 2 263.297 0.442 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)nc3cc(C)nn32)CC1 ZINC000744269804 581837127 /nfs/dbraw/zinc/83/71/27/581837127.db2.gz WHJNFUHDPPBPGC-UHFFFAOYSA-N 1 2 297.362 0.737 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000760071158 581841143 /nfs/dbraw/zinc/84/11/43/581841143.db2.gz ZGIPGYKHIBUUJW-UHFFFAOYSA-N 1 2 265.357 0.022 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCOC)CC1 ZINC000772109472 581843097 /nfs/dbraw/zinc/84/30/97/581843097.db2.gz FVRISSBQXXLVMK-UHFFFAOYSA-N 1 2 267.325 0.480 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732812255 581850366 /nfs/dbraw/zinc/85/03/66/581850366.db2.gz MNYJGKSVRDRWGM-GFCCVEGCSA-N 1 2 278.356 0.103 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732812255 581850368 /nfs/dbraw/zinc/85/03/68/581850368.db2.gz MNYJGKSVRDRWGM-GFCCVEGCSA-N 1 2 278.356 0.103 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745091235 581864564 /nfs/dbraw/zinc/86/45/64/581864564.db2.gz WFARGHFPRXJYSD-NWDGAFQWSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745091235 581864566 /nfs/dbraw/zinc/86/45/66/581864566.db2.gz WFARGHFPRXJYSD-NWDGAFQWSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000733162805 581868462 /nfs/dbraw/zinc/86/84/62/581868462.db2.gz VUAFPLJGBUVGJO-UHFFFAOYSA-N 1 2 272.352 0.689 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000733160977 581869026 /nfs/dbraw/zinc/86/90/26/581869026.db2.gz IGRYJAYWHVCCBC-UHFFFAOYSA-N 1 2 285.347 0.667 20 30 CCEDLO C#C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCCO1 ZINC000772885875 581895786 /nfs/dbraw/zinc/89/57/86/581895786.db2.gz BQIJRVRVDQCMAT-KGLIPLIRSA-N 1 2 292.379 0.538 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H]1CCCO1 ZINC000773372644 581924683 /nfs/dbraw/zinc/92/46/83/581924683.db2.gz AVZDOKIBAZXKNB-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H]1CCCO1 ZINC000773372644 581924687 /nfs/dbraw/zinc/92/46/87/581924687.db2.gz AVZDOKIBAZXKNB-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000762184831 581934801 /nfs/dbraw/zinc/93/48/01/581934801.db2.gz LHDCJBWXQXIUBJ-UHFFFAOYSA-N 1 2 288.307 0.771 20 30 CCEDLO C=CCOCCCC(=O)OCC[NH+]1CCOCC1 ZINC000747710082 581950600 /nfs/dbraw/zinc/95/06/00/581950600.db2.gz KNAILWRLPVLAFW-UHFFFAOYSA-N 1 2 257.330 0.845 20 30 CCEDLO Cn1c[nH+]cc1C=NNCC(C)(C)S(C)(=O)=O ZINC000774489386 581976249 /nfs/dbraw/zinc/97/62/49/581976249.db2.gz VXQAAIVZMUMZHR-UHFFFAOYSA-N 1 2 258.347 0.167 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)CSC ZINC000737994853 582013176 /nfs/dbraw/zinc/01/31/76/582013176.db2.gz HOMPSNVPBASPFJ-WCQYABFASA-N 1 2 270.398 0.314 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)CSC ZINC000737994853 582013177 /nfs/dbraw/zinc/01/31/77/582013177.db2.gz HOMPSNVPBASPFJ-WCQYABFASA-N 1 2 270.398 0.314 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)C1CC1 ZINC000763943302 582021576 /nfs/dbraw/zinc/02/15/76/582021576.db2.gz DUEQZUYLRPXITN-CQSZACIVSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)C1CC1 ZINC000763943302 582021578 /nfs/dbraw/zinc/02/15/78/582021578.db2.gz DUEQZUYLRPXITN-CQSZACIVSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[NH+]1CCN(Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000776592506 582083114 /nfs/dbraw/zinc/08/31/14/582083114.db2.gz IEOZSPSIXAXWHH-UHFFFAOYSA-N 1 2 285.351 0.164 20 30 CCEDLO C#CCCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000805008349 612984414 /nfs/dbraw/zinc/98/44/14/612984414.db2.gz BLYUBDAOPCNVLQ-ZDUSSCGKSA-N 1 2 288.413 0.288 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840523860 612995774 /nfs/dbraw/zinc/99/57/74/612995774.db2.gz RWOMBZVHKUPXTN-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC000949844383 613010315 /nfs/dbraw/zinc/01/03/15/613010315.db2.gz HQHOVRLGQPGFAA-ZDUSSCGKSA-N 1 2 254.305 0.283 20 30 CCEDLO C#CCSCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000896187868 613013722 /nfs/dbraw/zinc/01/37/22/613013722.db2.gz UGDXDYAVOYNUTQ-VXGBXAGGSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000931151451 612953021 /nfs/dbraw/zinc/95/30/21/612953021.db2.gz VGZOEJBBNQREBR-SNVBAGLBSA-N 1 2 261.329 0.529 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852105422 613047021 /nfs/dbraw/zinc/04/70/21/613047021.db2.gz BFSOEGAEHUNVAB-GFCCVEGCSA-N 1 2 251.330 0.126 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000858283821 613063168 /nfs/dbraw/zinc/06/31/68/613063168.db2.gz SAZRDEMMTKHFBL-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000858283821 613063169 /nfs/dbraw/zinc/06/31/69/613063169.db2.gz SAZRDEMMTKHFBL-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[N@H+](C1CSC1)[C@@H]1CCN(CC=C)C1=O ZINC000878910645 613098370 /nfs/dbraw/zinc/09/83/70/613098370.db2.gz ZYRTYNWFPDKZKJ-GFCCVEGCSA-N 1 2 250.367 0.824 20 30 CCEDLO C#CC[N@@H+](C1CSC1)[C@@H]1CCN(CC=C)C1=O ZINC000878910645 613098372 /nfs/dbraw/zinc/09/83/72/613098372.db2.gz ZYRTYNWFPDKZKJ-GFCCVEGCSA-N 1 2 250.367 0.824 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000306963980 624623159 /nfs/dbraw/zinc/62/31/59/624623159.db2.gz IKPJBVVMEZWODW-IUCAKERBSA-N 1 2 250.136 0.570 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000306963980 624623167 /nfs/dbraw/zinc/62/31/67/624623167.db2.gz IKPJBVVMEZWODW-IUCAKERBSA-N 1 2 250.136 0.570 20 30 CCEDLO C#CC[N@@H+](Cc1cn(CC(=O)OC)nn1)C(C)C ZINC000897170843 613109217 /nfs/dbraw/zinc/10/92/17/613109217.db2.gz JAUZNYHWSRXMEZ-UHFFFAOYSA-N 1 2 250.302 0.295 20 30 CCEDLO C#CC[N@H+](Cc1cn(CC(=O)OC)nn1)C(C)C ZINC000897170843 613109220 /nfs/dbraw/zinc/10/92/20/613109220.db2.gz JAUZNYHWSRXMEZ-UHFFFAOYSA-N 1 2 250.302 0.295 20 30 CCEDLO C#CC1(O)C[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000934447094 612960504 /nfs/dbraw/zinc/96/05/04/612960504.db2.gz ANSHZVFWVODLJG-UHFFFAOYSA-N 1 2 278.396 0.951 20 30 CCEDLO C#CCC1(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000916895357 612969173 /nfs/dbraw/zinc/96/91/73/612969173.db2.gz KIAIXHZOTIYICF-GFCCVEGCSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCC1(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000916895357 612969175 /nfs/dbraw/zinc/96/91/75/612969175.db2.gz KIAIXHZOTIYICF-GFCCVEGCSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000925434424 612970094 /nfs/dbraw/zinc/97/00/94/612970094.db2.gz KCFFFWNNHPXBBG-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000925434424 612970095 /nfs/dbraw/zinc/97/00/95/612970095.db2.gz KCFFFWNNHPXBBG-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000801912381 617297629 /nfs/dbraw/zinc/29/76/29/617297629.db2.gz OWNLOTXGKLFYQR-FZMZJTMJSA-N 1 2 273.336 0.827 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000801912381 617297630 /nfs/dbraw/zinc/29/76/30/617297630.db2.gz OWNLOTXGKLFYQR-FZMZJTMJSA-N 1 2 273.336 0.827 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852711460 612950409 /nfs/dbraw/zinc/95/04/09/612950409.db2.gz FDFBCWJYLNVMKM-ZANVPECISA-N 1 2 282.290 0.726 20 30 CCEDLO C#CC1CC[NH+](Cc2nnc3c(=O)n(C)ccn23)CC1 ZINC000878764205 612964764 /nfs/dbraw/zinc/96/47/64/612964764.db2.gz RPWJJWQMJZCYMP-UHFFFAOYSA-N 1 2 271.324 0.273 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060420 612965644 /nfs/dbraw/zinc/96/56/44/612965644.db2.gz KWZSVUBZMBLOKR-UHFFFAOYSA-N 1 2 280.368 0.601 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060420 612965645 /nfs/dbraw/zinc/96/56/45/612965645.db2.gz KWZSVUBZMBLOKR-UHFFFAOYSA-N 1 2 280.368 0.601 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000806730244 612967271 /nfs/dbraw/zinc/96/72/71/612967271.db2.gz KLGGEGLBWAHHEV-ZDUSSCGKSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000806730244 612967273 /nfs/dbraw/zinc/96/72/73/612967273.db2.gz KLGGEGLBWAHHEV-ZDUSSCGKSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000882529141 612972865 /nfs/dbraw/zinc/97/28/65/612972865.db2.gz VMRSUJHVRITNOR-ZDUSSCGKSA-N 1 2 287.363 0.822 20 30 CCEDLO C#CCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807283682 612975262 /nfs/dbraw/zinc/97/52/62/612975262.db2.gz JUDSGUFPLXDLPS-LLVKDONJSA-N 1 2 263.297 0.344 20 30 CCEDLO C#CCOCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907338644 612984967 /nfs/dbraw/zinc/98/49/67/612984967.db2.gz BUBKHJMADFDQPO-ACCUITESSA-N 1 2 266.341 0.031 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C(N)=O)c2)C1 ZINC000950642022 612992245 /nfs/dbraw/zinc/99/22/45/612992245.db2.gz JQJCLQGVNGPXKP-UHFFFAOYSA-N 1 2 299.374 0.955 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874708312 613001313 /nfs/dbraw/zinc/00/13/13/613001313.db2.gz MBILYRBGJWZXNW-OLZOCXBDSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874708312 613001315 /nfs/dbraw/zinc/00/13/15/613001315.db2.gz MBILYRBGJWZXNW-OLZOCXBDSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000798438477 613057245 /nfs/dbraw/zinc/05/72/45/613057245.db2.gz GKBDHRABTXKBJG-CYBMUJFWSA-N 1 2 286.335 0.908 20 30 CCEDLO C#CC[C@H](COC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000863807586 613061205 /nfs/dbraw/zinc/06/12/05/613061205.db2.gz HWMPPIZRVQHNEJ-GFCCVEGCSA-N 1 2 275.352 0.916 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000917223999 613067597 /nfs/dbraw/zinc/06/75/97/613067597.db2.gz PLKDNNPOSDRLIR-AWEZNQCLSA-N 1 2 280.416 0.676 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000848220771 613069266 /nfs/dbraw/zinc/06/92/66/613069266.db2.gz MOOWUSRMQZCMRE-KOLCDFICSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000848220771 613069268 /nfs/dbraw/zinc/06/92/68/613069268.db2.gz MOOWUSRMQZCMRE-KOLCDFICSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(=O)OC ZINC000848219513 613070346 /nfs/dbraw/zinc/07/03/46/613070346.db2.gz AJRVQGCTNQMKDE-LBPRGKRZSA-N 1 2 285.303 0.937 20 30 CCEDLO C#CC[C@H]1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000884594982 613075102 /nfs/dbraw/zinc/07/51/02/613075102.db2.gz WQTGAMXNTXOKLD-ZDUSSCGKSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CC[C@H]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884594982 613075104 /nfs/dbraw/zinc/07/51/04/613075104.db2.gz WQTGAMXNTXOKLD-ZDUSSCGKSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CC[C@H]1NC(=O)N([C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000927559769 613076140 /nfs/dbraw/zinc/07/61/40/613076140.db2.gz HKHMVLBDECGVNU-VXGBXAGGSA-N 1 2 284.319 0.604 20 30 CCEDLO C#CCn1cc(CNC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000834614467 613076651 /nfs/dbraw/zinc/07/66/51/613076651.db2.gz DUZPVQPCWAIZAM-UHFFFAOYSA-N 1 2 260.341 0.474 20 30 CCEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCOCC1 ZINC000869288696 613091086 /nfs/dbraw/zinc/09/10/86/613091086.db2.gz UFAINTCDJDUAPL-ABCZVMIZSA-N 1 2 292.379 0.419 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCOCC1 ZINC000875748642 613097627 /nfs/dbraw/zinc/09/76/27/613097627.db2.gz RKJSAIFYAOJLCH-GXTWGEPZSA-N 1 2 288.351 0.535 20 30 CCEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000821771640 613109499 /nfs/dbraw/zinc/10/94/99/613109499.db2.gz IXFRDPYLHMGXRX-VIFPVBQESA-N 1 2 256.252 0.478 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C(F)F)CC3)CC2)C1 ZINC000941408772 613114542 /nfs/dbraw/zinc/11/45/42/613114542.db2.gz SSAGYURVERBGBC-UHFFFAOYSA-N 1 2 297.349 0.493 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@]3(C)CC)CC2)C1 ZINC000941622826 613114988 /nfs/dbraw/zinc/11/49/88/613114988.db2.gz OBVTYDQAXCNUOR-DOTOQJQBSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCC3CC3)CC2)C1 ZINC000941351099 613115014 /nfs/dbraw/zinc/11/50/14/613115014.db2.gz OLURIRAWABDAIY-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000928653342 613136316 /nfs/dbraw/zinc/13/63/16/613136316.db2.gz IPCWPQHZJCHKQB-LLVKDONJSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000928653342 613136319 /nfs/dbraw/zinc/13/63/19/613136319.db2.gz IPCWPQHZJCHKQB-LLVKDONJSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000981210626 613160649 /nfs/dbraw/zinc/16/06/49/613160649.db2.gz SHXHRZMUJLYBGG-UHFFFAOYSA-N 1 2 290.371 0.209 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000981210626 613160650 /nfs/dbraw/zinc/16/06/50/613160650.db2.gz SHXHRZMUJLYBGG-UHFFFAOYSA-N 1 2 290.371 0.209 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C(=O)C3CC3)CC2)C1 ZINC000923558206 613164794 /nfs/dbraw/zinc/16/47/94/613164794.db2.gz XTHMIPILBYDRJD-CYBMUJFWSA-N 1 2 274.364 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C(=O)C3CC3)CC2)C1 ZINC000923558206 613164795 /nfs/dbraw/zinc/16/47/95/613164795.db2.gz XTHMIPILBYDRJD-CYBMUJFWSA-N 1 2 274.364 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000923559683 613174294 /nfs/dbraw/zinc/17/42/94/613174294.db2.gz QXRFPJBQDQCKIT-LLVKDONJSA-N 1 2 257.293 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000923559683 613174295 /nfs/dbraw/zinc/17/42/95/613174295.db2.gz QXRFPJBQDQCKIT-LLVKDONJSA-N 1 2 257.293 0.979 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000902730109 613175205 /nfs/dbraw/zinc/17/52/05/613175205.db2.gz OUBPHBYHABFSHF-LLVKDONJSA-N 1 2 290.371 0.256 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000902730109 613175206 /nfs/dbraw/zinc/17/52/06/613175206.db2.gz OUBPHBYHABFSHF-LLVKDONJSA-N 1 2 290.371 0.256 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000884613117 613176675 /nfs/dbraw/zinc/17/66/75/613176675.db2.gz DJFVUOSJZLDBSQ-SNVBAGLBSA-N 1 2 280.759 0.943 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000884613117 613176676 /nfs/dbraw/zinc/17/66/76/613176676.db2.gz DJFVUOSJZLDBSQ-SNVBAGLBSA-N 1 2 280.759 0.943 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000923566976 613180822 /nfs/dbraw/zinc/18/08/22/613180822.db2.gz VLZLYOBXVMWQOH-KBPBESRZSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000923566976 613180823 /nfs/dbraw/zinc/18/08/23/613180823.db2.gz VLZLYOBXVMWQOH-KBPBESRZSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC000891606977 613181104 /nfs/dbraw/zinc/18/11/04/613181104.db2.gz KKVRYJXJIICEQL-NSHDSACASA-N 1 2 290.323 0.135 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC000891606977 613181106 /nfs/dbraw/zinc/18/11/06/613181106.db2.gz KKVRYJXJIICEQL-NSHDSACASA-N 1 2 290.323 0.135 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000885512167 613193088 /nfs/dbraw/zinc/19/30/88/613193088.db2.gz SMXVSYIJGIHTCW-STQMWFEESA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000885512167 613193089 /nfs/dbraw/zinc/19/30/89/613193089.db2.gz SMXVSYIJGIHTCW-STQMWFEESA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000885511717 613193364 /nfs/dbraw/zinc/19/33/64/613193364.db2.gz LVQNKTVDCPVFIB-AVGNSLFASA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000885511717 613193367 /nfs/dbraw/zinc/19/33/67/613193367.db2.gz LVQNKTVDCPVFIB-AVGNSLFASA-N 1 2 286.397 0.181 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000801262210 613195861 /nfs/dbraw/zinc/19/58/61/613195861.db2.gz NVOHGSDNJVXANK-KBPBESRZSA-N 1 2 290.363 0.291 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000801262210 613195864 /nfs/dbraw/zinc/19/58/64/613195864.db2.gz NVOHGSDNJVXANK-KBPBESRZSA-N 1 2 290.363 0.291 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972316668 613210214 /nfs/dbraw/zinc/21/02/14/613210214.db2.gz ODTRHXWUHOGYJL-JFDDCEBESA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972316668 613210215 /nfs/dbraw/zinc/21/02/15/613210215.db2.gz ODTRHXWUHOGYJL-JFDDCEBESA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000949352607 613210519 /nfs/dbraw/zinc/21/05/19/613210519.db2.gz ZGMAOWJAQOJRGF-UHFFFAOYSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000949352607 613210520 /nfs/dbraw/zinc/21/05/20/613210520.db2.gz ZGMAOWJAQOJRGF-UHFFFAOYSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CSC)CC2)C1 ZINC000949291783 613210549 /nfs/dbraw/zinc/21/05/49/613210549.db2.gz WKYVEZPBMQLCNT-UHFFFAOYSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CSC)CC2)C1 ZINC000949291783 613210550 /nfs/dbraw/zinc/21/05/50/613210550.db2.gz WKYVEZPBMQLCNT-UHFFFAOYSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972519667 613211540 /nfs/dbraw/zinc/21/15/40/613211540.db2.gz XLECUAAMIZYZAU-LSDHHAIUSA-N 1 2 296.342 0.052 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972519667 613211541 /nfs/dbraw/zinc/21/15/41/613211541.db2.gz XLECUAAMIZYZAU-LSDHHAIUSA-N 1 2 296.342 0.052 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656162 613213952 /nfs/dbraw/zinc/21/39/52/613213952.db2.gz XSAJONOENQWMAP-OCCSQVGLSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656162 613213954 /nfs/dbraw/zinc/21/39/54/613213954.db2.gz XSAJONOENQWMAP-OCCSQVGLSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308881 613254624 /nfs/dbraw/zinc/25/46/24/613254624.db2.gz DVPOGMAPRWDYBK-GXTWGEPZSA-N 1 2 287.363 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308881 613254625 /nfs/dbraw/zinc/25/46/25/613254625.db2.gz DVPOGMAPRWDYBK-GXTWGEPZSA-N 1 2 287.363 0.459 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC000947467850 613258905 /nfs/dbraw/zinc/25/89/05/613258905.db2.gz FXNCMUHZHLUCPA-AAEUAGOBSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC000947467850 613258906 /nfs/dbraw/zinc/25/89/06/613258906.db2.gz FXNCMUHZHLUCPA-AAEUAGOBSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941098636 613277256 /nfs/dbraw/zinc/27/72/56/613277256.db2.gz DODAIAJPDWXQRU-JTQLQIEISA-N 1 2 261.329 0.268 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941098636 613277259 /nfs/dbraw/zinc/27/72/59/613277259.db2.gz DODAIAJPDWXQRU-JTQLQIEISA-N 1 2 261.329 0.268 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC000977581274 613280954 /nfs/dbraw/zinc/28/09/54/613280954.db2.gz VKAPATNQVSABLZ-CYBMUJFWSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC000977581274 613280956 /nfs/dbraw/zinc/28/09/56/613280956.db2.gz VKAPATNQVSABLZ-CYBMUJFWSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000949877480 613294339 /nfs/dbraw/zinc/29/43/39/613294339.db2.gz LCOPPCLEKGBAHE-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000949877481 613295406 /nfs/dbraw/zinc/29/54/06/613295406.db2.gz LCOPPCLEKGBAHE-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000951616085 613297093 /nfs/dbraw/zinc/29/70/93/613297093.db2.gz CEFQEFIGHAOROQ-UHFFFAOYSA-N 1 2 278.356 0.848 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000949793167 613318852 /nfs/dbraw/zinc/31/88/52/613318852.db2.gz NNNQFEQWPZYOIX-HNNXBMFYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000957885414 613320433 /nfs/dbraw/zinc/32/04/33/613320433.db2.gz MJCBMXNMVBMOMP-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933986494 613328407 /nfs/dbraw/zinc/32/84/07/613328407.db2.gz IFIFRCUZEJATHC-CYBMUJFWSA-N 1 2 292.408 0.650 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933986494 613328409 /nfs/dbraw/zinc/32/84/09/613328409.db2.gz IFIFRCUZEJATHC-CYBMUJFWSA-N 1 2 292.408 0.650 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000849964293 613356568 /nfs/dbraw/zinc/35/65/68/613356568.db2.gz JNROTXUKOZJZPM-TZMCWYRMSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000849964293 613356569 /nfs/dbraw/zinc/35/65/69/613356569.db2.gz JNROTXUKOZJZPM-TZMCWYRMSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000865307469 613357006 /nfs/dbraw/zinc/35/70/06/613357006.db2.gz QFIVWNNCKDDNKN-WOPDTQHZSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000865307469 613357007 /nfs/dbraw/zinc/35/70/07/613357007.db2.gz QFIVWNNCKDDNKN-WOPDTQHZSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913440290 613361089 /nfs/dbraw/zinc/36/10/89/613361089.db2.gz AYVVGERRLWWXME-MJBXVCDLSA-N 1 2 290.367 0.864 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COCCO2)C1 ZINC000969323502 613372147 /nfs/dbraw/zinc/37/21/47/613372147.db2.gz MEFDCJPJJKVFBX-CMPLNLGQSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 ZINC000957899275 613381384 /nfs/dbraw/zinc/38/13/84/613381384.db2.gz ZHXZLINHKNRZDU-KOLCDFICSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 ZINC000957899275 613381385 /nfs/dbraw/zinc/38/13/85/613381385.db2.gz ZHXZLINHKNRZDU-KOLCDFICSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000865308776 613391030 /nfs/dbraw/zinc/39/10/30/613391030.db2.gz CLHRHMIDOKZKCE-SECBINFHSA-N 1 2 268.704 0.983 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000878653599 613397378 /nfs/dbraw/zinc/39/73/78/613397378.db2.gz JAXLLDOIJFZMAJ-STQMWFEESA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000878653599 613397380 /nfs/dbraw/zinc/39/73/80/613397380.db2.gz JAXLLDOIJFZMAJ-STQMWFEESA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000878662010 613397405 /nfs/dbraw/zinc/39/74/05/613397405.db2.gz KBEDLAYLEFRRGW-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000878991079 613398207 /nfs/dbraw/zinc/39/82/07/613398207.db2.gz UOVAIYSJWIWURN-NEPJUHHUSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000878991079 613398211 /nfs/dbraw/zinc/39/82/11/613398211.db2.gz UOVAIYSJWIWURN-NEPJUHHUSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663892 613398780 /nfs/dbraw/zinc/39/87/80/613398780.db2.gz SPEFKYXDDKSUJZ-MNOVXSKESA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663892 613398783 /nfs/dbraw/zinc/39/87/83/613398783.db2.gz SPEFKYXDDKSUJZ-MNOVXSKESA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@H]([NH2+]CCCO[C@H]1CCOC1)C(=O)OC ZINC000905768110 613419294 /nfs/dbraw/zinc/41/92/94/613419294.db2.gz QRFHITKMHXDECG-RYUDHWBXSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)OC ZINC000878711345 613419793 /nfs/dbraw/zinc/41/97/93/613419793.db2.gz KBKZFXQSRDWHFG-WOPDTQHZSA-N 1 2 257.330 0.481 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC1)COCCO2 ZINC000880547550 613441963 /nfs/dbraw/zinc/44/19/63/613441963.db2.gz QFNMKYOYDZHBKK-NSHDSACASA-N 1 2 255.314 0.595 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913541077 613456720 /nfs/dbraw/zinc/45/67/20/613456720.db2.gz FCAQEBBFJGIUFO-XQQFMLRXSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913541077 613456722 /nfs/dbraw/zinc/45/67/22/613456722.db2.gz FCAQEBBFJGIUFO-XQQFMLRXSA-N 1 2 268.357 0.103 20 30 CCEDLO C=CCCC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000928320785 613470552 /nfs/dbraw/zinc/47/05/52/613470552.db2.gz SHRBUHBZZFJPCI-GFCCVEGCSA-N 1 2 279.340 0.977 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925297180 613475431 /nfs/dbraw/zinc/47/54/31/613475431.db2.gz FLCMRHASUYPRMT-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297180 613475434 /nfs/dbraw/zinc/47/54/34/613475434.db2.gz FLCMRHASUYPRMT-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO C=C[C@H](C)ON1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000843314016 613483379 /nfs/dbraw/zinc/48/33/79/613483379.db2.gz AWRZCMDJJFDZMV-CBAPKCEASA-N 1 2 250.258 0.379 20 30 CCEDLO C=C[C@H](C)ON1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000843314016 613483380 /nfs/dbraw/zinc/48/33/80/613483380.db2.gz AWRZCMDJJFDZMV-CBAPKCEASA-N 1 2 250.258 0.379 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870153891 613494627 /nfs/dbraw/zinc/49/46/27/613494627.db2.gz VVHMUKWGYSJZOE-KGLIPLIRSA-N 1 2 276.336 0.715 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928652415 613509817 /nfs/dbraw/zinc/50/98/17/613509817.db2.gz YWICFHRFJBYCET-JSGCOSHPSA-N 1 2 270.373 0.541 20 30 CCEDLO CC#CCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922040504 613522823 /nfs/dbraw/zinc/52/28/23/613522823.db2.gz LNOGHGGXTTZBBR-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ncccn2)CC1 ZINC000952343554 613561626 /nfs/dbraw/zinc/56/16/26/613561626.db2.gz BDKABNKLFMDQEI-UHFFFAOYSA-N 1 2 272.352 0.577 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC000948924264 613563317 /nfs/dbraw/zinc/56/33/17/613563317.db2.gz PDVXRWAITBGFNE-UHFFFAOYSA-N 1 2 275.327 0.931 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913469759 613571640 /nfs/dbraw/zinc/57/16/40/613571640.db2.gz UPMLCPHTXZZJCN-CYBMUJFWSA-N 1 2 278.356 0.486 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807283413 613572748 /nfs/dbraw/zinc/57/27/48/613572748.db2.gz ZVLPZFNJWYHBLP-NSHDSACASA-N 1 2 281.312 0.134 20 30 CCEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880338326 613591775 /nfs/dbraw/zinc/59/17/75/613591775.db2.gz CIUXAPRPVJXMHJ-QWHCGFSZSA-N 1 2 271.357 0.871 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC3(COC(=O)N3)CC2)nn1 ZINC000846852250 613598258 /nfs/dbraw/zinc/59/82/58/613598258.db2.gz WTPXWERWWSFRTQ-UHFFFAOYSA-N 1 2 291.355 0.929 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)N(CC)CC)nn1 ZINC000850076714 613598916 /nfs/dbraw/zinc/59/89/16/613598916.db2.gz BEPOZMGOFIVJCO-UHFFFAOYSA-N 1 2 265.361 0.812 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cnn(CCF)c2)nn1 ZINC000900640560 613645124 /nfs/dbraw/zinc/64/51/24/613645124.db2.gz ZLONBFOXNXLZIS-UHFFFAOYSA-N 1 2 276.319 0.605 20 30 CCEDLO C=CC[N@H+](Cc1cn(Cc2ncon2)nn1)C1CC1 ZINC000906283390 613651940 /nfs/dbraw/zinc/65/19/40/613651940.db2.gz OTDKSXMUXOKCHF-UHFFFAOYSA-N 1 2 260.301 0.860 20 30 CCEDLO C=CC[N@@H+](Cc1cn(Cc2ncon2)nn1)C1CC1 ZINC000906283390 613651941 /nfs/dbraw/zinc/65/19/41/613651941.db2.gz OTDKSXMUXOKCHF-UHFFFAOYSA-N 1 2 260.301 0.860 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000950453356 613653412 /nfs/dbraw/zinc/65/34/12/613653412.db2.gz UHVHMVIRHXMLOK-CYBMUJFWSA-N 1 2 293.411 0.962 20 30 CCEDLO CC(=NNC1=[NH+]CCN1)c1cc(F)cc(F)c1O ZINC000841662278 613653776 /nfs/dbraw/zinc/65/37/76/613653776.db2.gz WANVNKOFAPWURH-UHFFFAOYSA-N 1 2 254.240 0.943 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000950641703 613654344 /nfs/dbraw/zinc/65/43/44/613654344.db2.gz GIMSRLITIUEAOT-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000949773717 613655955 /nfs/dbraw/zinc/65/59/55/613655955.db2.gz VQRVXMCPFHHSOV-NWDGAFQWSA-N 1 2 266.341 0.514 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC000951180099 613707960 /nfs/dbraw/zinc/70/79/60/613707960.db2.gz ALBXQTVSEUKJKN-UHFFFAOYSA-N 1 2 276.384 0.991 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC000957099711 613711259 /nfs/dbraw/zinc/71/12/59/613711259.db2.gz XCAMGVSUMTYNDJ-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC000948915385 613713490 /nfs/dbraw/zinc/71/34/90/613713490.db2.gz QXNAJIMZROQCKB-LBPRGKRZSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC000948726843 613714144 /nfs/dbraw/zinc/71/41/44/613714144.db2.gz BLJCILGQLBXISL-UHFFFAOYSA-N 1 2 263.345 0.550 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000949108572 613714495 /nfs/dbraw/zinc/71/44/95/613714495.db2.gz LOJXRLPBTMLZIY-UHFFFAOYSA-N 1 2 276.340 0.068 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000949468159 613715586 /nfs/dbraw/zinc/71/55/86/613715586.db2.gz BWSZFSYNVPBEBJ-UHFFFAOYSA-N 1 2 299.338 0.001 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC000948645397 613716781 /nfs/dbraw/zinc/71/67/81/613716781.db2.gz ICDUCSUHYQLITI-UHFFFAOYSA-N 1 2 272.312 0.297 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1=O ZINC000853538908 613720618 /nfs/dbraw/zinc/72/06/18/613720618.db2.gz LVMMYLBKGSRHOB-GFCCVEGCSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1=O ZINC000853538908 613720619 /nfs/dbraw/zinc/72/06/19/613720619.db2.gz LVMMYLBKGSRHOB-GFCCVEGCSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972274283 613724704 /nfs/dbraw/zinc/72/47/04/613724704.db2.gz YCQQXNBEQBMKNR-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccon3)C2)C1 ZINC000972274283 613724705 /nfs/dbraw/zinc/72/47/05/613724705.db2.gz YCQQXNBEQBMKNR-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000972570677 613724710 /nfs/dbraw/zinc/72/47/10/613724710.db2.gz DDMVDJAPFNURSU-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000972570677 613724711 /nfs/dbraw/zinc/72/47/11/613724711.db2.gz DDMVDJAPFNURSU-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000879940624 613778219 /nfs/dbraw/zinc/77/82/19/613778219.db2.gz ONZLYXWGGNNDSB-AGIUHOORSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000879940624 613778222 /nfs/dbraw/zinc/77/82/22/613778222.db2.gz ONZLYXWGGNNDSB-AGIUHOORSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCOC(F)F)CC1 ZINC000851709628 613845591 /nfs/dbraw/zinc/84/55/91/613845591.db2.gz AKFVEXXOGPOTNN-UHFFFAOYSA-N 1 2 277.315 0.145 20 30 CCEDLO C=CCNC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811630571 613857722 /nfs/dbraw/zinc/85/77/22/613857722.db2.gz OIDZEZZVLORDCJ-UHFFFAOYSA-N 1 2 266.374 0.470 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)C ZINC000884097926 613877243 /nfs/dbraw/zinc/87/72/43/613877243.db2.gz UZPCAQWTZKMUBW-JTQLQIEISA-N 1 2 256.346 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000884327150 613877480 /nfs/dbraw/zinc/87/74/80/613877480.db2.gz LATKOONWIWJJBC-WOPDTQHZSA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000884173101 613877913 /nfs/dbraw/zinc/87/79/13/613877913.db2.gz MPGRBTXPLYKMSD-OLZOCXBDSA-N 1 2 298.383 0.707 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000884388817 613877998 /nfs/dbraw/zinc/87/79/98/613877998.db2.gz HVMIBTAMRIZXLT-AWEZNQCLSA-N 1 2 299.330 0.847 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](OC)CC[C@@H]1C ZINC000884462019 613878033 /nfs/dbraw/zinc/87/80/33/613878033.db2.gz SWTGYNXOPMFQPZ-SRVKXCTJSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C2CC2)CC1 ZINC000884142512 613878079 /nfs/dbraw/zinc/87/80/79/613878079.db2.gz BNYMHJSZOLBULG-JTQLQIEISA-N 1 2 252.314 0.492 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000884377224 613878127 /nfs/dbraw/zinc/87/81/27/613878127.db2.gz CWSUJHHAVDFVFM-FOGDFJRCSA-N 1 2 284.356 0.505 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H](C)CC ZINC000884099476 613878478 /nfs/dbraw/zinc/87/84/78/613878478.db2.gz PGEMXDBVZZSHMO-VWYCJHECSA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772525 613881360 /nfs/dbraw/zinc/88/13/60/613881360.db2.gz BPWHHGQKZAJUJB-KGLIPLIRSA-N 1 2 299.367 0.612 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000902948990 613885798 /nfs/dbraw/zinc/88/57/98/613885798.db2.gz ZYFKPFGKEWRAJB-NSHDSACASA-N 1 2 286.401 0.940 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000914397942 614288441 /nfs/dbraw/zinc/28/84/41/614288441.db2.gz RAOKFVDKLBRDHD-JTQLQIEISA-N 1 2 282.369 0.667 20 30 CCEDLO CC(C)[C@]12C[C@H]1C(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000899894930 614295470 /nfs/dbraw/zinc/29/54/70/614295470.db2.gz JNMVQKNUWZSIEI-SLEUVZQESA-N 1 2 293.367 0.224 20 30 CCEDLO CC(C)[C@]12C[C@H]1C(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000899894930 614295473 /nfs/dbraw/zinc/29/54/73/614295473.db2.gz JNMVQKNUWZSIEI-SLEUVZQESA-N 1 2 293.367 0.224 20 30 CCEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912895599 614470574 /nfs/dbraw/zinc/47/05/74/614470574.db2.gz ZLBUFWAIIODVHV-UHFFFAOYSA-N 1 2 295.383 0.881 20 30 CCEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912895599 614470576 /nfs/dbraw/zinc/47/05/76/614470576.db2.gz ZLBUFWAIIODVHV-UHFFFAOYSA-N 1 2 295.383 0.881 20 30 CCEDLO CC1(C)C[C@@]1(C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868464582 614771930 /nfs/dbraw/zinc/77/19/30/614771930.db2.gz VXMXZFFJRNCYQX-NQHOJNORSA-N 1 2 263.341 0.683 20 30 CCEDLO CCN(CC)C(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801910126 614982435 /nfs/dbraw/zinc/98/24/35/614982435.db2.gz LDMXQSDMDVSNSL-ZDUSSCGKSA-N 1 2 282.388 0.994 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931948185 615021953 /nfs/dbraw/zinc/02/19/53/615021953.db2.gz ICSNKMHTKZMQPD-GFCCVEGCSA-N 1 2 291.355 0.930 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931948185 615021957 /nfs/dbraw/zinc/02/19/57/615021957.db2.gz ICSNKMHTKZMQPD-GFCCVEGCSA-N 1 2 291.355 0.930 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861778 615022234 /nfs/dbraw/zinc/02/22/34/615022234.db2.gz LLWHTSJCKIMSNH-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886861778 615022236 /nfs/dbraw/zinc/02/22/36/615022236.db2.gz LLWHTSJCKIMSNH-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccn2)C1 ZINC000909031157 615172769 /nfs/dbraw/zinc/17/27/69/615172769.db2.gz DMIXALVVFJTFJY-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccn2)C1 ZINC000909031157 615172771 /nfs/dbraw/zinc/17/27/71/615172771.db2.gz DMIXALVVFJTFJY-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cncc(C#N)c2)C1 ZINC000922492668 615186204 /nfs/dbraw/zinc/18/62/04/615186204.db2.gz BHYOAASIWWCCGW-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cncc(C#N)c2)C1 ZINC000922492668 615186205 /nfs/dbraw/zinc/18/62/05/615186205.db2.gz BHYOAASIWWCCGW-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886081524 615314210 /nfs/dbraw/zinc/31/42/10/615314210.db2.gz RKRHSZAALVHZCM-CHWSQXEVSA-N 1 2 298.383 0.941 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886081524 615314213 /nfs/dbraw/zinc/31/42/13/615314213.db2.gz RKRHSZAALVHZCM-CHWSQXEVSA-N 1 2 298.383 0.941 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899063616 615365740 /nfs/dbraw/zinc/36/57/40/615365740.db2.gz IALNRKJQRIJTHB-NSHDSACASA-N 1 2 267.329 0.101 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899063616 615365744 /nfs/dbraw/zinc/36/57/44/615365744.db2.gz IALNRKJQRIJTHB-NSHDSACASA-N 1 2 267.329 0.101 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000925599046 615716288 /nfs/dbraw/zinc/71/62/88/615716288.db2.gz WLANTMFUXDHAKS-OCCSQVGLSA-N 1 2 298.362 0.744 20 30 CCEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCN(CC#N)CC1 ZINC000948873348 615829407 /nfs/dbraw/zinc/82/94/07/615829407.db2.gz GQNHYGFFFBHJNE-LBPRGKRZSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971720854 616040427 /nfs/dbraw/zinc/04/04/27/616040427.db2.gz VWHANVSOFRSHID-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971720854 616040428 /nfs/dbraw/zinc/04/04/28/616040428.db2.gz VWHANVSOFRSHID-IJLUTSLNSA-N 1 2 273.340 0.569 20 30 CCEDLO C[N@@H+](CC(=O)NC(N)=O)Cc1cc(C#N)cs1 ZINC000933769866 616046131 /nfs/dbraw/zinc/04/61/31/616046131.db2.gz GZENDSRXXBYRKC-UHFFFAOYSA-N 1 2 252.299 0.246 20 30 CCEDLO C[N@H+](CC(=O)NC(N)=O)Cc1cc(C#N)cs1 ZINC000933769866 616046130 /nfs/dbraw/zinc/04/61/30/616046130.db2.gz GZENDSRXXBYRKC-UHFFFAOYSA-N 1 2 252.299 0.246 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2cccc(C#N)c2)[C@@H](CO)C1 ZINC000912747009 616223931 /nfs/dbraw/zinc/22/39/31/616223931.db2.gz XFSYIQOSYRSLMA-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2cccc(C#N)c2)[C@@H](CO)C1 ZINC000912747009 616223932 /nfs/dbraw/zinc/22/39/32/616223932.db2.gz XFSYIQOSYRSLMA-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@H](CO)C1 ZINC000912750523 616229316 /nfs/dbraw/zinc/22/93/16/616229316.db2.gz FLWQDBASTZZXEV-NSHDSACASA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@H](CO)C1 ZINC000912750523 616229317 /nfs/dbraw/zinc/22/93/17/616229317.db2.gz FLWQDBASTZZXEV-NSHDSACASA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(CC#N)c2)[C@H](CO)C1 ZINC000912747147 616230580 /nfs/dbraw/zinc/23/05/80/616230580.db2.gz ARFYRJGGIKIMGY-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(CC#N)c2)[C@H](CO)C1 ZINC000912747147 616230581 /nfs/dbraw/zinc/23/05/81/616230581.db2.gz ARFYRJGGIKIMGY-AWEZNQCLSA-N 1 2 273.336 0.501 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837415270 616357589 /nfs/dbraw/zinc/35/75/89/616357589.db2.gz ZYLGQSTUWKGESC-UHFFFAOYSA-N 1 2 252.358 0.827 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865787830 616368870 /nfs/dbraw/zinc/36/88/70/616368870.db2.gz SZWVIZDWKYVRQN-UHFFFAOYSA-N 1 2 263.297 0.555 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCO[C@@H](C)C#N)C[C@@H](C)O1 ZINC000859653213 616388799 /nfs/dbraw/zinc/38/87/99/616388799.db2.gz ADXCEAHCVQZIPQ-AXFHLTTASA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)C[C@@H](C)O1 ZINC000859653213 616388803 /nfs/dbraw/zinc/38/88/03/616388803.db2.gz ADXCEAHCVQZIPQ-AXFHLTTASA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C#CC(C)C ZINC000831262947 616610524 /nfs/dbraw/zinc/61/05/24/616610524.db2.gz ILLHPPGNQHQWQM-NSHDSACASA-N 1 2 263.297 0.269 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C#CC(C)C ZINC000831262947 616610525 /nfs/dbraw/zinc/61/05/25/616610525.db2.gz ILLHPPGNQHQWQM-NSHDSACASA-N 1 2 263.297 0.269 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCO[C@@H](C)C#N)C1CCOCC1 ZINC000880340807 616635272 /nfs/dbraw/zinc/63/52/72/616635272.db2.gz LMTSTDYWJHJOOR-CMPLNLGQSA-N 1 2 270.329 0.473 20 30 CCEDLO COCCn1nnc2c1CC[N@H+](Cc1cncc(C#N)c1)C2 ZINC000930569315 616759945 /nfs/dbraw/zinc/75/99/45/616759945.db2.gz CQZBISOFDOUVAA-UHFFFAOYSA-N 1 2 298.350 0.749 20 30 CCEDLO COCCn1nnc2c1CC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC000930569315 616759950 /nfs/dbraw/zinc/75/99/50/616759950.db2.gz CQZBISOFDOUVAA-UHFFFAOYSA-N 1 2 298.350 0.749 20 30 CCEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000852571714 616766000 /nfs/dbraw/zinc/76/60/00/616766000.db2.gz BUMQABOMPPXAMD-CQSZACIVSA-N 1 2 296.371 0.425 20 30 CCEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000852571714 616766003 /nfs/dbraw/zinc/76/60/03/616766003.db2.gz BUMQABOMPPXAMD-CQSZACIVSA-N 1 2 296.371 0.425 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000802310487 616924407 /nfs/dbraw/zinc/92/44/07/616924407.db2.gz WDTHKOFJTKPZJL-SDDRHHMPSA-N 1 2 299.371 0.342 20 30 CCEDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2CCOCCC#N)O1 ZINC000933201553 616956528 /nfs/dbraw/zinc/95/65/28/616956528.db2.gz PXUIQRMBKCSSPV-KKUMJFAQSA-N 1 2 298.383 0.811 20 30 CCEDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2CCOCCC#N)O1 ZINC000933201553 616956532 /nfs/dbraw/zinc/95/65/32/616956532.db2.gz PXUIQRMBKCSSPV-KKUMJFAQSA-N 1 2 298.383 0.811 20 30 CCEDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)ccc1C#N ZINC000912736285 617155548 /nfs/dbraw/zinc/15/55/48/617155548.db2.gz RIXQMALQTVQSPQ-ZDUSSCGKSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)ccc1C#N ZINC000912736285 617155549 /nfs/dbraw/zinc/15/55/49/617155549.db2.gz RIXQMALQTVQSPQ-ZDUSSCGKSA-N 1 2 289.335 0.315 20 30 CCEDLO C#CC1(O)C[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000934453689 622706848 /nfs/dbraw/zinc/70/68/48/622706848.db2.gz PFBRUELZCPAKOH-UHFFFAOYSA-N 1 2 280.368 0.923 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972362800 622781406 /nfs/dbraw/zinc/78/14/06/622781406.db2.gz UIXUZQKXOXMBHI-ZBFHGGJFSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972362800 622781411 /nfs/dbraw/zinc/78/14/11/622781411.db2.gz UIXUZQKXOXMBHI-ZBFHGGJFSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972372846 622784469 /nfs/dbraw/zinc/78/44/69/622784469.db2.gz FGQUCXNYFPJRMS-YPMHNXCESA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972372846 622784480 /nfs/dbraw/zinc/78/44/80/622784480.db2.gz FGQUCXNYFPJRMS-YPMHNXCESA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972510956 622910465 /nfs/dbraw/zinc/91/04/65/622910465.db2.gz QYYZYMVVZUYZFZ-ZFWWWQNUSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972510956 622910470 /nfs/dbraw/zinc/91/04/70/622910470.db2.gz QYYZYMVVZUYZFZ-ZFWWWQNUSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001023757663 623133061 /nfs/dbraw/zinc/13/30/61/623133061.db2.gz LYQYQTFSPAARAX-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001023757663 623133071 /nfs/dbraw/zinc/13/30/71/623133071.db2.gz LYQYQTFSPAARAX-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001023757664 623133298 /nfs/dbraw/zinc/13/32/98/623133298.db2.gz LYQYQTFSPAARAX-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001023757664 623133303 /nfs/dbraw/zinc/13/33/03/623133303.db2.gz LYQYQTFSPAARAX-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1C ZINC001020538332 624505037 /nfs/dbraw/zinc/50/50/37/624505037.db2.gz DWYCZFAXDWSFLF-NHCYSSNCSA-N 1 2 289.339 0.217 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001020562524 624525216 /nfs/dbraw/zinc/52/52/16/624525216.db2.gz BSELIVZHMWFCES-XYPYZODXSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000971212483 624828297 /nfs/dbraw/zinc/82/82/97/624828297.db2.gz ZMIHGRFFKPIUQF-ZYHUDNBSSA-N 1 2 262.313 0.867 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000971212483 624828298 /nfs/dbraw/zinc/82/82/98/624828298.db2.gz ZMIHGRFFKPIUQF-ZYHUDNBSSA-N 1 2 262.313 0.867 20 30 CCEDLO NC(CCO)=[NH+]O[C@H]1CCCN(c2ccccc2F)C1=O ZINC000121331933 624848152 /nfs/dbraw/zinc/84/81/52/624848152.db2.gz TYHSESZUIPWSJZ-LBPRGKRZSA-N 1 2 295.314 0.992 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N1CCO[C@](C)(C#N)C1 ZINC000933605694 624909456 /nfs/dbraw/zinc/90/94/56/624909456.db2.gz RCFBFSAYPMYSKA-QWHCGFSZSA-N 1 2 253.346 0.322 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309854 624921301 /nfs/dbraw/zinc/92/13/01/624921301.db2.gz GYPSLNNZCVFLIQ-SDDRHHMPSA-N 1 2 273.340 0.206 20 30 CCEDLO Cc1cnc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cn1 ZINC000980850362 631068556 /nfs/dbraw/zinc/06/85/56/631068556.db2.gz SXBHJVCIQIWXHY-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1cnc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cn1 ZINC000980850362 631068565 /nfs/dbraw/zinc/06/85/65/631068565.db2.gz SXBHJVCIQIWXHY-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cc(F)ncc2F)CCCN1O ZINC000895158922 631993467 /nfs/dbraw/zinc/99/34/67/631993467.db2.gz QUUOBJBXHNFTCM-SECBINFHSA-N 1 2 257.240 0.830 20 30 CCEDLO Cc1nc(NC[C@]2(CO)COCC[N@H+]2C)ccc1C#N ZINC000895613603 632109725 /nfs/dbraw/zinc/10/97/25/632109725.db2.gz ZJMYVKLYKJOBNF-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1nc(NC[C@]2(CO)COCC[N@@H+]2C)ccc1C#N ZINC000895613603 632109733 /nfs/dbraw/zinc/10/97/33/632109733.db2.gz ZJMYVKLYKJOBNF-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO N#Cc1nccc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895960526 632180561 /nfs/dbraw/zinc/18/05/61/632180561.db2.gz UXUVDSQZYOZWSG-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000985823848 632649084 /nfs/dbraw/zinc/64/90/84/632649084.db2.gz ZPKVSCQFAQVLAD-UHFFFAOYSA-N 1 2 280.372 0.074 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986627021 632784045 /nfs/dbraw/zinc/78/40/45/632784045.db2.gz DIBIXRJPJYUEHS-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988752297 633103066 /nfs/dbraw/zinc/10/30/66/633103066.db2.gz SBVVEXNYLWIIIF-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001009034362 650136235 /nfs/dbraw/zinc/13/62/35/650136235.db2.gz JDWQPJICJMBNIA-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001009034362 650136238 /nfs/dbraw/zinc/13/62/38/650136238.db2.gz JDWQPJICJMBNIA-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO Cc1nc(Br)c(C=NNC2=[NH+]C[C@H](C)N2)[nH]1 ZINC000901217337 634210961 /nfs/dbraw/zinc/21/09/61/634210961.db2.gz WRWGUBUFGVDUGT-YFKPBYRVSA-N 1 2 285.149 0.752 20 30 CCEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CNC(=O)C2)ccc1F ZINC000902221268 634342345 /nfs/dbraw/zinc/34/23/45/634342345.db2.gz DMNJBSRPRQWBLX-VIFPVBQESA-N 1 2 265.288 0.907 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668234 650251818 /nfs/dbraw/zinc/25/18/18/650251818.db2.gz KEQXXIABZQOAPM-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010668234 650251820 /nfs/dbraw/zinc/25/18/20/650251820.db2.gz KEQXXIABZQOAPM-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452668 636810099 /nfs/dbraw/zinc/81/00/99/636810099.db2.gz JIKRJCUELZUHKH-CYBMUJFWSA-N 1 2 285.307 0.970 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)o1 ZINC000913453216 636811182 /nfs/dbraw/zinc/81/11/82/636811182.db2.gz KMOQQMUYDRSCAI-NSHDSACASA-N 1 2 271.280 0.661 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[NH2+]2)cn1 ZINC000913465887 636818774 /nfs/dbraw/zinc/81/87/74/636818774.db2.gz CQRPGFZAOVDPKD-CYBMUJFWSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C3(C#N)CCCC3)CC[NH2+]2)cn1 ZINC000913472262 636821002 /nfs/dbraw/zinc/82/10/02/636821002.db2.gz RYAYVVSNUJDIMM-CYBMUJFWSA-N 1 2 287.367 0.977 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962977 637140065 /nfs/dbraw/zinc/14/00/65/637140065.db2.gz SLJNKEHZPKPCND-BYCMXARLSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962977 637140069 /nfs/dbraw/zinc/14/00/69/637140069.db2.gz SLJNKEHZPKPCND-BYCMXARLSA-N 1 2 276.336 0.673 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992926824 637640122 /nfs/dbraw/zinc/64/01/22/637640122.db2.gz UOIBNOKYPWBNTK-MGPQQGTHSA-N 1 2 287.367 0.623 20 30 CCEDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000938530879 638232935 /nfs/dbraw/zinc/23/29/35/638232935.db2.gz JFZYKMATYSDDNI-LBPRGKRZSA-N 1 2 286.335 0.083 20 30 CCEDLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NCC#N ZINC000995741667 638799909 /nfs/dbraw/zinc/79/99/09/638799909.db2.gz ZPTJUJNDBNMTDV-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1NCC#N ZINC000995924869 638805053 /nfs/dbraw/zinc/80/50/53/638805053.db2.gz QIOZNFCYRMYYSJ-WZRBSPASSA-N 1 2 287.367 0.863 20 30 CCEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC000995924869 638805056 /nfs/dbraw/zinc/80/50/56/638805056.db2.gz QIOZNFCYRMYYSJ-WZRBSPASSA-N 1 2 287.367 0.863 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996735260 638830638 /nfs/dbraw/zinc/83/06/38/638830638.db2.gz AWLIRBCLTJXPGI-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001154415 639249778 /nfs/dbraw/zinc/24/97/78/639249778.db2.gz GFWDTGLOCZDVSV-NEPJUHHUSA-N 1 2 297.786 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001154415 639249783 /nfs/dbraw/zinc/24/97/83/639249783.db2.gz GFWDTGLOCZDVSV-NEPJUHHUSA-N 1 2 297.786 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016265502 639320403 /nfs/dbraw/zinc/32/04/03/639320403.db2.gz BKTLBXFLXGFVGX-SNVBAGLBSA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016265502 639320413 /nfs/dbraw/zinc/32/04/13/639320413.db2.gz BKTLBXFLXGFVGX-SNVBAGLBSA-N 1 2 296.758 0.670 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001014823530 650492466 /nfs/dbraw/zinc/49/24/66/650492466.db2.gz YETWOKIVJZJQOO-GFCCVEGCSA-N 1 2 273.336 0.131 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001014823530 650492467 /nfs/dbraw/zinc/49/24/67/650492467.db2.gz YETWOKIVJZJQOO-GFCCVEGCSA-N 1 2 273.336 0.131 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001003929276 639650665 /nfs/dbraw/zinc/65/06/65/639650665.db2.gz AOYBCMBPAKGPPW-UHFFFAOYSA-N 1 2 283.763 0.680 20 30 CCEDLO COCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004303693 639763530 /nfs/dbraw/zinc/76/35/30/639763530.db2.gz TVEWZIKNMVGJKU-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO COCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004303693 639763538 /nfs/dbraw/zinc/76/35/38/639763538.db2.gz TVEWZIKNMVGJKU-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1C[N@H+](C)CC1=NNCCC[NH+]1CCOCC1 ZINC000799486738 640575864 /nfs/dbraw/zinc/57/58/64/640575864.db2.gz NCIINBLSROJBOQ-GFCCVEGCSA-N 1 2 254.378 0.236 20 30 CCEDLO C[C@@H]1CN(C)CC1=NNCCC[NH+]1CCOCC1 ZINC000799486738 640575878 /nfs/dbraw/zinc/57/58/78/640575878.db2.gz NCIINBLSROJBOQ-GFCCVEGCSA-N 1 2 254.378 0.236 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000801935623 640678901 /nfs/dbraw/zinc/67/89/01/640678901.db2.gz BLCQBIPSDZYLDV-JTQLQIEISA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000801935623 640678908 /nfs/dbraw/zinc/67/89/08/640678908.db2.gz BLCQBIPSDZYLDV-JTQLQIEISA-N 1 2 260.359 0.424 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000804497689 640770368 /nfs/dbraw/zinc/77/03/68/640770368.db2.gz HHVWUMKUSXCLTO-HXUWFJFHSA-N 1 2 293.396 0.157 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000808755231 640878197 /nfs/dbraw/zinc/87/81/97/640878197.db2.gz JSFSMWDWLAEJIA-VIFPVBQESA-N 1 2 265.317 0.618 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000811924587 640991740 /nfs/dbraw/zinc/99/17/40/640991740.db2.gz BGPJDVNOVPNSQO-LLVKDONJSA-N 1 2 251.265 0.567 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)NCCNc1ncccc1C#N ZINC000811925370 640992798 /nfs/dbraw/zinc/99/27/98/640992798.db2.gz LYRNTXSBFZZZES-UHFFFAOYSA-N 1 2 299.338 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015804598 650632656 /nfs/dbraw/zinc/63/26/56/650632656.db2.gz YGZAIPFGJFIOFD-LLVKDONJSA-N 1 2 292.408 0.955 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015804598 650632657 /nfs/dbraw/zinc/63/26/57/650632657.db2.gz YGZAIPFGJFIOFD-LLVKDONJSA-N 1 2 292.408 0.955 20 30 CCEDLO NC(CCO)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000121372113 642069401 /nfs/dbraw/zinc/06/94/01/642069401.db2.gz PQNKLECHLBJBEN-UHFFFAOYSA-N 1 2 257.221 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C ZINC001017403650 650800087 /nfs/dbraw/zinc/80/00/87/650800087.db2.gz ZQYYKSBRQFGLJO-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C ZINC001017403650 650800089 /nfs/dbraw/zinc/80/00/89/650800089.db2.gz ZQYYKSBRQFGLJO-BETUJISGSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C ZINC001017495899 650806131 /nfs/dbraw/zinc/80/61/31/650806131.db2.gz JWLKESPMXTWRMA-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C ZINC001017495899 650806133 /nfs/dbraw/zinc/80/61/33/650806133.db2.gz JWLKESPMXTWRMA-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001017572057 650811473 /nfs/dbraw/zinc/81/14/73/650811473.db2.gz ASSFCLGRPKCHAT-AYDFFVQHSA-N 1 2 274.364 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001017572057 650811475 /nfs/dbraw/zinc/81/14/75/650811475.db2.gz ASSFCLGRPKCHAT-AYDFFVQHSA-N 1 2 274.364 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001017792248 650822219 /nfs/dbraw/zinc/82/22/19/650822219.db2.gz LNTCJOUWCQNLLO-CRWXNKLISA-N 1 2 289.379 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001017792248 650822222 /nfs/dbraw/zinc/82/22/22/650822222.db2.gz LNTCJOUWCQNLLO-CRWXNKLISA-N 1 2 289.379 0.196 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001017783362 650822399 /nfs/dbraw/zinc/82/23/99/650822399.db2.gz NXMGKSFMYWZGJQ-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001017783362 650822401 /nfs/dbraw/zinc/82/24/01/650822401.db2.gz NXMGKSFMYWZGJQ-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(=O)N1C ZINC001018228113 650848902 /nfs/dbraw/zinc/84/89/02/650848902.db2.gz UEGQJRSPQJFWIE-HZSPNIEDSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(=O)N1C ZINC001018228113 650848904 /nfs/dbraw/zinc/84/89/04/650848904.db2.gz UEGQJRSPQJFWIE-HZSPNIEDSA-N 1 2 289.379 0.306 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000854596395 644232152 /nfs/dbraw/zinc/23/21/52/644232152.db2.gz ILEFACBWVAZNAD-GFCCVEGCSA-N 1 2 297.318 0.899 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889126 644573102 /nfs/dbraw/zinc/57/31/02/644573102.db2.gz HKAJYBAKNYGDQQ-GFCCVEGCSA-N 1 2 295.298 0.704 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001019189461 650945346 /nfs/dbraw/zinc/94/53/46/650945346.db2.gz MHJMQGADVGDBBK-KBPBESRZSA-N 1 2 294.399 0.201 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001019189461 650945349 /nfs/dbraw/zinc/94/53/49/650945349.db2.gz MHJMQGADVGDBBK-KBPBESRZSA-N 1 2 294.399 0.201 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016101 644753363 /nfs/dbraw/zinc/75/33/63/644753363.db2.gz GOILTDYLCXATNF-KBPBESRZSA-N 1 2 289.335 0.168 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016101 644753367 /nfs/dbraw/zinc/75/33/67/644753367.db2.gz GOILTDYLCXATNF-KBPBESRZSA-N 1 2 289.335 0.168 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001019447618 650974118 /nfs/dbraw/zinc/97/41/18/650974118.db2.gz PAPAPFWJFXYSTD-RYUDHWBXSA-N 1 2 261.329 0.548 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1coc(C#N)c1 ZINC000868810616 645816298 /nfs/dbraw/zinc/81/62/98/645816298.db2.gz UBHKFKQFAIQZPI-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1coc(C#N)c1 ZINC000868810616 645816303 /nfs/dbraw/zinc/81/63/03/645816303.db2.gz UBHKFKQFAIQZPI-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO N#CC1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCC1 ZINC000868902643 645829201 /nfs/dbraw/zinc/82/92/01/645829201.db2.gz HGOGYUQOKWNXDI-IWQZZHSRSA-N 1 2 263.341 0.685 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868959757 645835508 /nfs/dbraw/zinc/83/55/08/645835508.db2.gz LZCUUMVQMMDWKX-RUHGSLFBSA-N 1 2 263.341 0.683 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2coc(C#N)c2)[C@@H](C)CO1 ZINC000869244066 645863316 /nfs/dbraw/zinc/86/33/16/645863316.db2.gz UEYHMMGOQQKVFO-WDEREUQCSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2coc(C#N)c2)[C@@H](C)CO1 ZINC000869244066 645863318 /nfs/dbraw/zinc/86/33/18/645863318.db2.gz UEYHMMGOQQKVFO-WDEREUQCSA-N 1 2 277.324 0.990 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312326 651058824 /nfs/dbraw/zinc/05/88/24/651058824.db2.gz GYPSLNNZCVFLIQ-SRVKXCTJSA-N 1 2 273.340 0.206 20 30 CCEDLO C[S@](=N)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000872101584 646210620 /nfs/dbraw/zinc/21/06/20/646210620.db2.gz VEWDOCRCFQJQGU-CZIZLABSSA-N 1 2 256.375 0.888 20 30 CCEDLO N#CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000877482831 646819775 /nfs/dbraw/zinc/81/97/75/646819775.db2.gz HRQOUONLSONLCI-UHFFFAOYSA-N 1 2 273.745 0.991 20 30 CCEDLO Cn1ncc2cc(C[NH+]3CCN(CCC#N)CC3)cnc21 ZINC000877748026 646838396 /nfs/dbraw/zinc/83/83/96/646838396.db2.gz NPIVPEAKEJFPOH-UHFFFAOYSA-N 1 2 284.367 1.000 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877763775 646839778 /nfs/dbraw/zinc/83/97/78/646839778.db2.gz JGKQWSFLUHDDMY-TXEJJXNPSA-N 1 2 281.743 0.639 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877763775 646839779 /nfs/dbraw/zinc/83/97/79/646839779.db2.gz JGKQWSFLUHDDMY-TXEJJXNPSA-N 1 2 281.743 0.639 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042265 647018587 /nfs/dbraw/zinc/01/85/87/647018587.db2.gz XVJYGOUMOWPCSX-CYBMUJFWSA-N 1 2 276.315 0.989 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191155 647168798 /nfs/dbraw/zinc/16/87/98/647168798.db2.gz UPUIAWGHGRDJJG-GJZGRUSLSA-N 1 2 284.363 0.979 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191155 647168800 /nfs/dbraw/zinc/16/88/00/647168800.db2.gz UPUIAWGHGRDJJG-GJZGRUSLSA-N 1 2 284.363 0.979 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC=C[C@@H]2CO)CCCCC1 ZINC000880482717 647206233 /nfs/dbraw/zinc/20/62/33/647206233.db2.gz PDMHNCJRKYLPPJ-GFCCVEGCSA-N 1 2 263.341 0.562 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)CCCCC1 ZINC000880482717 647206236 /nfs/dbraw/zinc/20/62/36/647206236.db2.gz PDMHNCJRKYLPPJ-GFCCVEGCSA-N 1 2 263.341 0.562 20 30 CCEDLO C#CC1(NS(=O)(=O)CCn2cc[nH+]c2)CCCC1 ZINC000882776224 647443300 /nfs/dbraw/zinc/44/33/00/647443300.db2.gz NTCRGTNXDYCEKI-UHFFFAOYSA-N 1 2 267.354 0.749 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1CCCCCC1 ZINC000136067358 647866975 /nfs/dbraw/zinc/86/69/75/647866975.db2.gz QJPPCVPRAWABMN-JTQLQIEISA-N 1 2 257.334 0.449 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885982141 647890142 /nfs/dbraw/zinc/89/01/42/647890142.db2.gz WGUUNHOARVTUGW-GHMZBOCLSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885982141 647890146 /nfs/dbraw/zinc/89/01/46/647890146.db2.gz WGUUNHOARVTUGW-GHMZBOCLSA-N 1 2 251.330 0.252 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886794800 648014435 /nfs/dbraw/zinc/01/44/35/648014435.db2.gz DTMBYJDHYBAHLF-SNVBAGLBSA-N 1 2 279.262 0.263 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886794800 648014442 /nfs/dbraw/zinc/01/44/42/648014442.db2.gz DTMBYJDHYBAHLF-SNVBAGLBSA-N 1 2 279.262 0.263 20 30 CCEDLO N#Cc1csc(CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000887978909 648179329 /nfs/dbraw/zinc/17/93/29/648179329.db2.gz MITVGGKISYBNEZ-UHFFFAOYSA-N 1 2 261.310 0.987 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000932149288 649053266 /nfs/dbraw/zinc/05/32/66/649053266.db2.gz YKSVYQRUISKCLC-JTQLQIEISA-N 1 2 256.265 0.927 20 30 CCEDLO N#C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000932377142 649069648 /nfs/dbraw/zinc/06/96/48/649069648.db2.gz GEMSRHDFQSIHHS-RDBSUJKOSA-N 1 2 293.367 0.285 20 30 CCEDLO N#C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000932377141 649069851 /nfs/dbraw/zinc/06/98/51/649069851.db2.gz GEMSRHDFQSIHHS-MCIONIFRSA-N 1 2 293.367 0.285 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)CO)CCO2)cc1 ZINC000933630310 649131118 /nfs/dbraw/zinc/13/11/18/649131118.db2.gz HCQNVFNYUBPOSD-KGLIPLIRSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)CO)CCO2)cc1 ZINC000933630310 649131121 /nfs/dbraw/zinc/13/11/21/649131121.db2.gz HCQNVFNYUBPOSD-KGLIPLIRSA-N 1 2 262.309 0.285 20 30 CCEDLO CCN(CC)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916982 649728862 /nfs/dbraw/zinc/72/88/62/649728862.db2.gz AIDYEGJPMUXISH-UHFFFAOYSA-N 1 2 264.329 0.781 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000305059155 649840816 /nfs/dbraw/zinc/84/08/16/649840816.db2.gz DVSKBPAXTYSQNJ-RISCZKNCSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000305059155 649840817 /nfs/dbraw/zinc/84/08/17/649840817.db2.gz DVSKBPAXTYSQNJ-RISCZKNCSA-N 1 2 296.392 0.957 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230532173 805612348 /nfs/dbraw/zinc/61/23/48/805612348.db2.gz FTZFDVRMKGJSPM-CYBMUJFWSA-N 1 2 250.342 0.579 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230532173 805612355 /nfs/dbraw/zinc/61/23/55/805612355.db2.gz FTZFDVRMKGJSPM-CYBMUJFWSA-N 1 2 250.342 0.579 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230557529 805621605 /nfs/dbraw/zinc/62/16/05/805621605.db2.gz WBUAYYNBFFZJPW-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230557529 805621612 /nfs/dbraw/zinc/62/16/12/805621612.db2.gz WBUAYYNBFFZJPW-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)CC1CC1 ZINC001266250520 790327144 /nfs/dbraw/zinc/32/71/44/790327144.db2.gz UTSIOKKSRVRSHU-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)CC1CC1 ZINC001266250520 790327157 /nfs/dbraw/zinc/32/71/57/790327157.db2.gz UTSIOKKSRVRSHU-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001266262427 790352187 /nfs/dbraw/zinc/35/21/87/790352187.db2.gz OCEMKBUJLRZKTO-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001266262427 790352197 /nfs/dbraw/zinc/35/21/97/790352197.db2.gz OCEMKBUJLRZKTO-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO CCc1nocc1C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001266263898 790354094 /nfs/dbraw/zinc/35/40/94/790354094.db2.gz AYQNPYZVKBTTKI-JTQLQIEISA-N 1 2 264.329 0.945 20 30 CCEDLO CCc1nocc1C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001266263898 790354108 /nfs/dbraw/zinc/35/41/08/790354108.db2.gz AYQNPYZVKBTTKI-JTQLQIEISA-N 1 2 264.329 0.945 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266334915 790528976 /nfs/dbraw/zinc/52/89/76/790528976.db2.gz AMYTXKUUGNSHHH-UONOGXRCSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266334915 790528986 /nfs/dbraw/zinc/52/89/86/790528986.db2.gz AMYTXKUUGNSHHH-UONOGXRCSA-N 1 2 293.411 0.773 20 30 CCEDLO C#CC[NH2+]CC1(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001167101236 790567522 /nfs/dbraw/zinc/56/75/22/790567522.db2.gz GJMJJIKIECFBQC-UHFFFAOYSA-N 1 2 264.304 0.672 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cn1 ZINC001038173553 790579806 /nfs/dbraw/zinc/57/98/06/790579806.db2.gz AIIKPGUKPJTQOD-CQSZACIVSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cn1 ZINC001038173553 790579807 /nfs/dbraw/zinc/57/98/07/790579807.db2.gz AIIKPGUKPJTQOD-CQSZACIVSA-N 1 2 298.350 0.624 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125390770 790873681 /nfs/dbraw/zinc/87/36/81/790873681.db2.gz BFAFRSJDMVDXLM-UHFFFAOYSA-N 1 2 284.323 0.504 20 30 CCEDLO CN(CC[NH2+]Cc1cnsn1)C(=O)c1ccc(C#N)[nH]1 ZINC001266676967 791125125 /nfs/dbraw/zinc/12/51/25/791125125.db2.gz CDASJAXDHLVVNM-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230816277 805671289 /nfs/dbraw/zinc/67/12/89/805671289.db2.gz ZNQKVBYCQZGAID-NSHDSACASA-N 1 2 251.355 0.409 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230816277 805671295 /nfs/dbraw/zinc/67/12/95/805671295.db2.gz ZNQKVBYCQZGAID-NSHDSACASA-N 1 2 251.355 0.409 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001231122951 805734315 /nfs/dbraw/zinc/73/43/15/805734315.db2.gz QFYIXMPGNBIXPI-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001231122951 805734321 /nfs/dbraw/zinc/73/43/21/805734321.db2.gz QFYIXMPGNBIXPI-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001231122944 805735077 /nfs/dbraw/zinc/73/50/77/805735077.db2.gz QCXDQJHAJGJETR-RYUDHWBXSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001231122944 805735081 /nfs/dbraw/zinc/73/50/81/805735081.db2.gz QCXDQJHAJGJETR-RYUDHWBXSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001231225701 805755187 /nfs/dbraw/zinc/75/51/87/805755187.db2.gz HRMKQGDHWSURGH-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001231225701 805755193 /nfs/dbraw/zinc/75/51/93/805755193.db2.gz HRMKQGDHWSURGH-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231378626 805784038 /nfs/dbraw/zinc/78/40/38/805784038.db2.gz SWWIUDUZQPAPSU-AWEZNQCLSA-N 1 2 290.367 0.135 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231378626 805784040 /nfs/dbraw/zinc/78/40/40/805784040.db2.gz SWWIUDUZQPAPSU-AWEZNQCLSA-N 1 2 290.367 0.135 20 30 CCEDLO O=C1C=C2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]2S1 ZINC001231698893 805831336 /nfs/dbraw/zinc/83/13/36/805831336.db2.gz AOPHFMYICXEVSL-VIFPVBQESA-N 1 2 279.321 0.662 20 30 CCEDLO O=C1C=C2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]2S1 ZINC001231698893 805831346 /nfs/dbraw/zinc/83/13/46/805831346.db2.gz AOPHFMYICXEVSL-VIFPVBQESA-N 1 2 279.321 0.662 20 30 CCEDLO N#CCS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706916936 791161603 /nfs/dbraw/zinc/16/16/03/791161603.db2.gz UDTGKXYBHLRJDG-UHFFFAOYSA-N 1 2 291.376 0.658 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C(C)(C)C#N ZINC001143405440 791298700 /nfs/dbraw/zinc/29/87/00/791298700.db2.gz ZHINMFMTGPLGJR-SNVBAGLBSA-N 1 2 278.312 0.170 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001266927682 791360885 /nfs/dbraw/zinc/36/08/85/791360885.db2.gz LCTLAHJYQBFEOH-VIFPVBQESA-N 1 2 268.317 0.175 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498642 806067394 /nfs/dbraw/zinc/06/73/94/806067394.db2.gz CHNBRWWPTVCDOE-PSKZRQQASA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498642 806067404 /nfs/dbraw/zinc/06/74/04/806067404.db2.gz CHNBRWWPTVCDOE-PSKZRQQASA-N 1 2 289.379 0.235 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233752595 806114461 /nfs/dbraw/zinc/11/44/61/806114461.db2.gz STFVIJONCFRSMU-NWDGAFQWSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233752595 806114466 /nfs/dbraw/zinc/11/44/66/806114466.db2.gz STFVIJONCFRSMU-NWDGAFQWSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001233819642 806126923 /nfs/dbraw/zinc/12/69/23/806126923.db2.gz NRVIZBDGUXPBIH-TXNVCOODSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001233819642 806126928 /nfs/dbraw/zinc/12/69/28/806126928.db2.gz NRVIZBDGUXPBIH-TXNVCOODSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCC ZINC001233948456 806155798 /nfs/dbraw/zinc/15/57/98/806155798.db2.gz WBXLLMGOAKJFTI-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCC ZINC001233948456 806155803 /nfs/dbraw/zinc/15/58/03/806155803.db2.gz WBXLLMGOAKJFTI-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234454283 806245772 /nfs/dbraw/zinc/24/57/72/806245772.db2.gz HHVXQODIEIMSFK-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234454283 806245776 /nfs/dbraw/zinc/24/57/76/806245776.db2.gz HHVXQODIEIMSFK-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCOCC1 ZINC001235105137 806371320 /nfs/dbraw/zinc/37/13/20/806371320.db2.gz IYOSYORHBQVXND-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCOCC1 ZINC001235105137 806371330 /nfs/dbraw/zinc/37/13/30/806371330.db2.gz IYOSYORHBQVXND-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(OC)ncc2F)CC1 ZINC001235327562 806408148 /nfs/dbraw/zinc/40/81/48/806408148.db2.gz TVQIOUIQZQAWJC-UHFFFAOYSA-N 1 2 263.316 0.980 20 30 CCEDLO C=CCCC(=O)NCCC[N@@H+](C)CCS(C)(=O)=O ZINC001235436223 806421665 /nfs/dbraw/zinc/42/16/65/806421665.db2.gz IIXHUQNXKQNCEL-UHFFFAOYSA-N 1 2 276.402 0.435 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)CCS(C)(=O)=O ZINC001235436223 806421671 /nfs/dbraw/zinc/42/16/71/806421671.db2.gz IIXHUQNXKQNCEL-UHFFFAOYSA-N 1 2 276.402 0.435 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001121409488 799042891 /nfs/dbraw/zinc/04/28/91/799042891.db2.gz ZWEKVOHXVFAUOS-NWDGAFQWSA-N 1 2 279.388 0.955 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001121409488 799042898 /nfs/dbraw/zinc/04/28/98/799042898.db2.gz ZWEKVOHXVFAUOS-NWDGAFQWSA-N 1 2 279.388 0.955 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[S@@](C)=O)C1 ZINC001122106831 799144630 /nfs/dbraw/zinc/14/46/30/799144630.db2.gz VGAGWPBEQHVLKE-CWTRNNRKSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[S@@](C)=O)C1 ZINC001122106831 799144633 /nfs/dbraw/zinc/14/46/33/799144633.db2.gz VGAGWPBEQHVLKE-CWTRNNRKSA-N 1 2 285.413 0.152 20 30 CCEDLO Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001124191233 799574428 /nfs/dbraw/zinc/57/44/28/799574428.db2.gz LDUKZKSUTYGTHJ-GXSJLCMTSA-N 1 2 277.328 0.176 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001124765295 799633911 /nfs/dbraw/zinc/63/39/11/799633911.db2.gz SAMSGQOGXPFGHW-UHFFFAOYSA-N 1 2 296.371 0.677 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124907870 799645960 /nfs/dbraw/zinc/64/59/60/799645960.db2.gz BDTXWNQMHKHWCQ-JGVFFNPUSA-N 1 2 251.290 0.305 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]nc(C)c1C ZINC001125045343 799653757 /nfs/dbraw/zinc/65/37/57/799653757.db2.gz SQZGMEAKWCDEGU-NSHDSACASA-N 1 2 293.371 0.037 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001125248169 799670266 /nfs/dbraw/zinc/67/02/66/799670266.db2.gz ODVANIYTFHTJMH-UHFFFAOYSA-N 1 2 278.356 0.665 20 30 CCEDLO CC[C@H](C(=O)N[C@@H](C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC001138235063 799713101 /nfs/dbraw/zinc/71/31/01/799713101.db2.gz ABVMKZJBIVULCE-SDDRHHMPSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@H](C(=O)N[C@@H](C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC001138235063 799713104 /nfs/dbraw/zinc/71/31/04/799713104.db2.gz ABVMKZJBIVULCE-SDDRHHMPSA-N 1 2 253.346 0.904 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@H]3CCC(=O)N3)CCC2S1 ZINC001202823234 799727543 /nfs/dbraw/zinc/72/75/43/799727543.db2.gz RLDZDQMTFUASPH-NXEZZACHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@H]3CCC(=O)N3)CCC2S1 ZINC001202823234 799727545 /nfs/dbraw/zinc/72/75/45/799727545.db2.gz RLDZDQMTFUASPH-NXEZZACHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@H]3CCC(=O)N3)CC[C@H]2S1 ZINC001202823234 799727548 /nfs/dbraw/zinc/72/75/48/799727548.db2.gz RLDZDQMTFUASPH-NXEZZACHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@H]3CCC(=O)N3)CC[C@H]2S1 ZINC001202823234 799727551 /nfs/dbraw/zinc/72/75/51/799727551.db2.gz RLDZDQMTFUASPH-NXEZZACHSA-N 1 2 252.339 0.539 20 30 CCEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCC(N)=O ZINC001138591662 799741244 /nfs/dbraw/zinc/74/12/44/799741244.db2.gz YIBSZTWJUPJLCI-UHFFFAOYSA-N 1 2 289.335 0.905 20 30 CCEDLO C=CCn1cc(C[NH+]2CCN(CC(=O)OCC)CC2)cn1 ZINC001139766820 799839013 /nfs/dbraw/zinc/83/90/13/799839013.db2.gz VXYLJBHFXPFJLI-UHFFFAOYSA-N 1 2 292.383 0.750 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)nc2)C1 ZINC001140544554 799921920 /nfs/dbraw/zinc/92/19/20/799921920.db2.gz TYWTWAFTRBBBLR-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)nc2)C1 ZINC001140544554 799921924 /nfs/dbraw/zinc/92/19/24/799921924.db2.gz TYWTWAFTRBBBLR-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1C#N ZINC001141932117 800048612 /nfs/dbraw/zinc/04/86/12/800048612.db2.gz SYYHHXJWMHWDKG-AAEUAGOBSA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1C#N ZINC001141932117 800048624 /nfs/dbraw/zinc/04/86/24/800048624.db2.gz SYYHHXJWMHWDKG-AAEUAGOBSA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1C#N ZINC001141932120 800048812 /nfs/dbraw/zinc/04/88/12/800048812.db2.gz SYYHHXJWMHWDKG-YPMHNXCESA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1C#N ZINC001141932120 800048814 /nfs/dbraw/zinc/04/88/14/800048814.db2.gz SYYHHXJWMHWDKG-YPMHNXCESA-N 1 2 293.392 0.850 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001149400869 800256252 /nfs/dbraw/zinc/25/62/52/800256252.db2.gz YDUPFZWEZAVREM-GFCCVEGCSA-N 1 2 280.368 0.442 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001149400869 800256257 /nfs/dbraw/zinc/25/62/57/800256257.db2.gz YDUPFZWEZAVREM-GFCCVEGCSA-N 1 2 280.368 0.442 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001150485200 800339342 /nfs/dbraw/zinc/33/93/42/800339342.db2.gz QCIIVPQVKAZXIN-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3cc[nH]cc2-3)CC1 ZINC001152098766 800490220 /nfs/dbraw/zinc/49/02/20/800490220.db2.gz YJRSPWQWNHPVAU-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449781 800522690 /nfs/dbraw/zinc/52/26/90/800522690.db2.gz JRTPRXGLHJFBIV-GHMZBOCLSA-N 1 2 289.401 0.017 20 30 CCEDLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449781 800522693 /nfs/dbraw/zinc/52/26/93/800522693.db2.gz JRTPRXGLHJFBIV-GHMZBOCLSA-N 1 2 289.401 0.017 20 30 CCEDLO CC[N@H+](Cc1nccn1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450347 800524839 /nfs/dbraw/zinc/52/48/39/800524839.db2.gz YLVZXNQQUNBKGG-NWDGAFQWSA-N 1 2 277.372 0.906 20 30 CCEDLO CC[N@@H+](Cc1nccn1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450347 800524841 /nfs/dbraw/zinc/52/48/41/800524841.db2.gz YLVZXNQQUNBKGG-NWDGAFQWSA-N 1 2 277.372 0.906 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3cnccc3n2)CC1 ZINC001152485922 800529805 /nfs/dbraw/zinc/52/98/05/800529805.db2.gz SGULBHLMSPXUME-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO CCc1nc(C[NH2+]CCCNC(=O)CSCC#N)no1 ZINC001154802366 800848259 /nfs/dbraw/zinc/84/82/59/800848259.db2.gz DNSKZBBFQQAJJK-UHFFFAOYSA-N 1 2 297.384 0.485 20 30 CCEDLO COC(OC)c1cc(C)cnc1N1CC[NH2+]C[C@@H]1C#N ZINC001156327615 801150893 /nfs/dbraw/zinc/15/08/93/801150893.db2.gz HYXVANUENAUKES-NSHDSACASA-N 1 2 276.340 0.983 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nnc(Cl)cc1C#N ZINC001157770037 801477044 /nfs/dbraw/zinc/47/70/44/801477044.db2.gz CWLPCEHOMWHPJR-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nnc(Cl)cc1C#N ZINC001157770037 801477050 /nfs/dbraw/zinc/47/70/50/801477050.db2.gz CWLPCEHOMWHPJR-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO Cc1nc(NC(=N)c2ccc(C(N)=O)cc2)cc(N(C)C)[nH+]1 ZINC001160077279 801904827 /nfs/dbraw/zinc/90/48/27/801904827.db2.gz INKADPHLWDSBRJ-UHFFFAOYSA-N 1 2 298.350 0.987 20 30 CCEDLO N#Cc1ccnc(NS(=O)(=O)c2ccc(C[NH3+])cc2)n1 ZINC001161746423 802213622 /nfs/dbraw/zinc/21/36/22/802213622.db2.gz DHRFAGWIXZYLDG-UHFFFAOYSA-N 1 2 289.320 0.608 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)cc(C#N)n2)C1 ZINC001162680802 802390105 /nfs/dbraw/zinc/39/01/05/802390105.db2.gz PVSIDGPLPZLWLK-VIFPVBQESA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)cc(C#N)n2)C1 ZINC001162680802 802390117 /nfs/dbraw/zinc/39/01/17/802390117.db2.gz PVSIDGPLPZLWLK-VIFPVBQESA-N 1 2 267.720 0.744 20 30 CCEDLO COc1cnc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001162680587 802390182 /nfs/dbraw/zinc/39/01/82/802390182.db2.gz MFKDMFHKLVGVQR-LBPRGKRZSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001162680587 802390190 /nfs/dbraw/zinc/39/01/90/802390190.db2.gz MFKDMFHKLVGVQR-LBPRGKRZSA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCS(=O)(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001259937033 808810955 /nfs/dbraw/zinc/81/09/55/808810955.db2.gz YLRGPGPCETWPQE-LBPRGKRZSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001259936122 808811728 /nfs/dbraw/zinc/81/17/28/808811728.db2.gz YSKZDMCTGCSQLD-LLVKDONJSA-N 1 2 267.354 0.766 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001264369086 809645200 /nfs/dbraw/zinc/64/52/00/809645200.db2.gz PSDVASLANQTACU-NWDGAFQWSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001264369086 809645203 /nfs/dbraw/zinc/64/52/03/809645203.db2.gz PSDVASLANQTACU-NWDGAFQWSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001264370825 809645422 /nfs/dbraw/zinc/64/54/22/809645422.db2.gz KXUMUPXTZQLTCV-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001264370825 809645427 /nfs/dbraw/zinc/64/54/27/809645427.db2.gz KXUMUPXTZQLTCV-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001264367096 809645513 /nfs/dbraw/zinc/64/55/13/809645513.db2.gz RKGPZIQXAPXHSE-MGPQQGTHSA-N 1 2 264.369 0.825 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001264367096 809645518 /nfs/dbraw/zinc/64/55/18/809645518.db2.gz RKGPZIQXAPXHSE-MGPQQGTHSA-N 1 2 264.369 0.825 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC001164304923 802714744 /nfs/dbraw/zinc/71/47/44/802714744.db2.gz JLJTZCUODCFJHN-IUCAKERBSA-N 1 2 291.267 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc(CC#N)n2)C[NH2+]1 ZINC001164305413 802715707 /nfs/dbraw/zinc/71/57/07/802715707.db2.gz VSOUNBKQHAXYLH-QWRGUYRKSA-N 1 2 260.297 0.463 20 30 CCEDLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)cnc1C#N ZINC001164498057 802749653 /nfs/dbraw/zinc/74/96/53/802749653.db2.gz OQMKIIRDXGOLFC-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(C)(F)F)C1 ZINC001278349803 807007881 /nfs/dbraw/zinc/00/78/81/807007881.db2.gz LPGASIXKIDKOQU-GFCCVEGCSA-N 1 2 289.326 0.524 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(C)(F)F)C1 ZINC001278349803 807007887 /nfs/dbraw/zinc/00/78/87/807007887.db2.gz LPGASIXKIDKOQU-GFCCVEGCSA-N 1 2 289.326 0.524 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001126333197 812360388 /nfs/dbraw/zinc/36/03/88/812360388.db2.gz KKIOLCIEXPYPDR-UHFFFAOYSA-N 1 2 250.302 0.387 20 30 CCEDLO C#Cc1cc(Nc2ccc(C(=O)NC)nc2)cc[nH+]1 ZINC001203626846 803038568 /nfs/dbraw/zinc/03/85/68/803038568.db2.gz SUCXHZZMEOEBTH-UHFFFAOYSA-N 1 2 252.277 0.983 20 30 CCEDLO CCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001268826413 813104981 /nfs/dbraw/zinc/10/49/81/813104981.db2.gz YZIOTBNPBQJPSA-ZDUSSCGKSA-N 1 2 293.411 0.609 20 30 CCEDLO N#Cc1ccc(-c2noc([C@]3([NH3+])CCOC3)n2)nc1 ZINC001205228110 803128114 /nfs/dbraw/zinc/12/81/14/803128114.db2.gz XGYZRVGYDRNATK-LBPRGKRZSA-N 1 2 257.253 0.578 20 30 CCEDLO C[N@H+]1C[C@H]2CN(Cc3ccc(C#N)cc3O)C[C@@H](C1)O2 ZINC001276493315 803287778 /nfs/dbraw/zinc/28/77/78/803287778.db2.gz IDDLAUUTRAWWGC-OKILXGFUSA-N 1 2 273.336 0.779 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001206800159 803288693 /nfs/dbraw/zinc/28/86/93/803288693.db2.gz VLUBYNVQPWVTOD-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001206800159 803288701 /nfs/dbraw/zinc/28/87/01/803288701.db2.gz VLUBYNVQPWVTOD-MWLCHTKSSA-N 1 2 297.790 0.926 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC001207106621 803353196 /nfs/dbraw/zinc/35/31/96/803353196.db2.gz QHBIXCQPFWNENV-UHFFFAOYSA-N 1 2 289.383 0.103 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001207180284 803366841 /nfs/dbraw/zinc/36/68/41/803366841.db2.gz YMKPDARBNJMVIX-CHWSQXEVSA-N 1 2 292.383 0.419 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001207180284 803366848 /nfs/dbraw/zinc/36/68/48/803366848.db2.gz YMKPDARBNJMVIX-CHWSQXEVSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1OC ZINC001213268407 803688317 /nfs/dbraw/zinc/68/83/17/803688317.db2.gz KBWXRPSEAQPEHP-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1OC ZINC001213268407 803688320 /nfs/dbraw/zinc/68/83/20/803688320.db2.gz KBWXRPSEAQPEHP-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001214741577 803757034 /nfs/dbraw/zinc/75/70/34/803757034.db2.gz REVMEMGXGSLOGV-VXGBXAGGSA-N 1 2 292.387 0.503 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1OC ZINC001211997138 814970626 /nfs/dbraw/zinc/97/06/26/814970626.db2.gz IRFGHYVYQLSCRQ-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1OC ZINC001211997138 814970629 /nfs/dbraw/zinc/97/06/29/814970629.db2.gz IRFGHYVYQLSCRQ-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(F)F)[C@H]2C1 ZINC001218313546 803948542 /nfs/dbraw/zinc/94/85/42/803948542.db2.gz PZTIYLYHEBSYDW-WDEREUQCSA-N 1 2 272.295 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(F)F)[C@H]2C1 ZINC001218313546 803948544 /nfs/dbraw/zinc/94/85/44/803948544.db2.gz PZTIYLYHEBSYDW-WDEREUQCSA-N 1 2 272.295 0.577 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041584 814983640 /nfs/dbraw/zinc/98/36/40/814983640.db2.gz VGFIVCXLKIMJTE-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041584 814983643 /nfs/dbraw/zinc/98/36/43/814983643.db2.gz VGFIVCXLKIMJTE-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1 ZINC001218871855 804143743 /nfs/dbraw/zinc/14/37/43/804143743.db2.gz VHJZRUFSWCNRIR-KCJUWKMLSA-N 1 2 285.311 0.335 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219045095 804185909 /nfs/dbraw/zinc/18/59/09/804185909.db2.gz XXSKKAHGASEVNT-NSHDSACASA-N 1 2 286.291 0.868 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC=C)[C@H]2C1 ZINC001219063720 804190010 /nfs/dbraw/zinc/19/00/10/804190010.db2.gz CGLZWBOTQKLOSB-MELADBBJSA-N 1 2 278.352 0.122 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC=C)[C@H]2C1 ZINC001219063720 804190012 /nfs/dbraw/zinc/19/00/12/804190012.db2.gz CGLZWBOTQKLOSB-MELADBBJSA-N 1 2 278.352 0.122 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219365952 804287602 /nfs/dbraw/zinc/28/76/02/804287602.db2.gz MJMZSLATBKXHPM-DFBGVHRSSA-N 1 2 298.346 0.379 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219365952 804287608 /nfs/dbraw/zinc/28/76/08/804287608.db2.gz MJMZSLATBKXHPM-DFBGVHRSSA-N 1 2 298.346 0.379 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219365988 804288269 /nfs/dbraw/zinc/28/82/69/804288269.db2.gz NLFXBBAEPBUXHA-YHROSDCASA-N 1 2 274.748 0.103 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219365988 804288275 /nfs/dbraw/zinc/28/82/75/804288275.db2.gz NLFXBBAEPBUXHA-YHROSDCASA-N 1 2 274.748 0.103 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212092509 815006498 /nfs/dbraw/zinc/00/64/98/815006498.db2.gz DBRITXPJYUGCPS-CHWSQXEVSA-N 1 2 288.363 0.754 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212092509 815006501 /nfs/dbraw/zinc/00/65/01/815006501.db2.gz DBRITXPJYUGCPS-CHWSQXEVSA-N 1 2 288.363 0.754 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219426459 804305496 /nfs/dbraw/zinc/30/54/96/804305496.db2.gz DGYNNZJMZKNXKV-NEPJUHHUSA-N 1 2 274.336 0.100 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219426459 804305506 /nfs/dbraw/zinc/30/55/06/804305506.db2.gz DGYNNZJMZKNXKV-NEPJUHHUSA-N 1 2 274.336 0.100 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219536150 804340125 /nfs/dbraw/zinc/34/01/25/804340125.db2.gz LVSZHUMTCYHUMU-NGVRYTNWSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219536150 804340133 /nfs/dbraw/zinc/34/01/33/804340133.db2.gz LVSZHUMTCYHUMU-NGVRYTNWSA-N 1 2 288.775 0.227 20 30 CCEDLO Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587421 804362096 /nfs/dbraw/zinc/36/20/96/804362096.db2.gz DZYZSBJWMWHAFQ-OLZOCXBDSA-N 1 2 291.351 0.304 20 30 CCEDLO Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587421 804362105 /nfs/dbraw/zinc/36/21/05/804362105.db2.gz DZYZSBJWMWHAFQ-OLZOCXBDSA-N 1 2 291.351 0.304 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](O)C1 ZINC001220180434 804529358 /nfs/dbraw/zinc/52/93/58/804529358.db2.gz DSADUMQGPFPJNT-GRYCIOLGSA-N 1 2 256.321 0.165 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](O)C1 ZINC001220180434 804529361 /nfs/dbraw/zinc/52/93/61/804529361.db2.gz DSADUMQGPFPJNT-GRYCIOLGSA-N 1 2 256.321 0.165 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)[C@@H](O)C1 ZINC001220451919 804607380 /nfs/dbraw/zinc/60/73/80/804607380.db2.gz MNSVXYDWQSLTDU-MJBXVCDLSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)[C@@H](O)C1 ZINC001220451919 804607383 /nfs/dbraw/zinc/60/73/83/804607383.db2.gz MNSVXYDWQSLTDU-MJBXVCDLSA-N 1 2 266.385 0.853 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001276891814 804972984 /nfs/dbraw/zinc/97/29/84/804972984.db2.gz MNZFYTAVZAEMSN-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001276891814 804972991 /nfs/dbraw/zinc/97/29/91/804972991.db2.gz MNZFYTAVZAEMSN-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)/C=C/C3CC3)C2)nn1 ZINC001098649465 815055254 /nfs/dbraw/zinc/05/52/54/815055254.db2.gz ROBBQIPGWRVYCR-LLYBFZRZSA-N 1 2 299.378 0.741 20 30 CCEDLO C=CCOC[C@H](O)CN1CCC(F)(F)[C@H]([NH3+])C1 ZINC001246030139 807127162 /nfs/dbraw/zinc/12/71/62/807127162.db2.gz FAZPCUVBSBACIU-NXEZZACHSA-N 1 2 250.289 0.218 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cncc(C#N)c2)C[N@@H+]1C ZINC001224139250 815111162 /nfs/dbraw/zinc/11/11/62/815111162.db2.gz RMCBJDIGAZBUEI-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2cncc(C#N)c2)C[N@H+]1C ZINC001224139250 815111167 /nfs/dbraw/zinc/11/11/67/815111167.db2.gz RMCBJDIGAZBUEI-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CN1 ZINC001246695761 807359079 /nfs/dbraw/zinc/35/90/79/807359079.db2.gz QGWZHVKDEGKZJS-SDDRHHMPSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CN1 ZINC001246695761 807359087 /nfs/dbraw/zinc/35/90/87/807359087.db2.gz QGWZHVKDEGKZJS-SDDRHHMPSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(=O)n2C)CC1 ZINC001248809629 807527571 /nfs/dbraw/zinc/52/75/71/807527571.db2.gz FBRCNTZWXSWAQI-UHFFFAOYSA-N 1 2 289.335 0.664 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001126815979 815132668 /nfs/dbraw/zinc/13/26/68/815132668.db2.gz QWJOYCXWVLJRFG-UHFFFAOYSA-N 1 2 290.367 0.887 20 30 CCEDLO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001278592216 807608304 /nfs/dbraw/zinc/60/83/04/807608304.db2.gz ASXOOKLIDNGFPU-UWVGGRQHSA-N 1 2 264.304 0.670 20 30 CCEDLO C#CCOC[C@H](O)CNc1[nH+]cccc1OCC ZINC001251823244 807710280 /nfs/dbraw/zinc/71/02/80/807710280.db2.gz DRWYFDNDHMOZAF-LLVKDONJSA-N 1 2 250.298 0.903 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126828191 815141738 /nfs/dbraw/zinc/14/17/38/815141738.db2.gz MYDURTMDDOQINU-NSHDSACASA-N 1 2 294.355 0.642 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001251891688 807737229 /nfs/dbraw/zinc/73/72/29/807737229.db2.gz XMJKOLZDYBTSRZ-UONOGXRCSA-N 1 2 283.368 0.709 20 30 CCEDLO C=C[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001253572725 808082040 /nfs/dbraw/zinc/08/20/40/808082040.db2.gz NKPLKZXFGQUCRZ-CYBMUJFWSA-N 1 2 266.345 0.174 20 30 CCEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)C=C ZINC001253575989 808083348 /nfs/dbraw/zinc/08/33/48/808083348.db2.gz HXQYOZDSHJUQBH-JSGCOSHPSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)C=C ZINC001253575989 808083352 /nfs/dbraw/zinc/08/33/52/808083352.db2.gz HXQYOZDSHJUQBH-JSGCOSHPSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)C=C ZINC001253576247 808084487 /nfs/dbraw/zinc/08/44/87/808084487.db2.gz LAVHTRCHEUMEAR-YPMHNXCESA-N 1 2 278.356 0.464 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)C=C ZINC001253576247 808084492 /nfs/dbraw/zinc/08/44/92/808084492.db2.gz LAVHTRCHEUMEAR-YPMHNXCESA-N 1 2 278.356 0.464 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)C(C)C ZINC001253758960 808132706 /nfs/dbraw/zinc/13/27/06/808132706.db2.gz DDAFBVDZURLKAP-KBPBESRZSA-N 1 2 294.399 0.934 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)C(C)C ZINC001253758960 808132710 /nfs/dbraw/zinc/13/27/10/808132710.db2.gz DDAFBVDZURLKAP-KBPBESRZSA-N 1 2 294.399 0.934 20 30 CCEDLO CC[C@@H](CC#N)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001255158358 808323748 /nfs/dbraw/zinc/32/37/48/808323748.db2.gz JJYBEAJQVXPYOQ-JQWIXIFHSA-N 1 2 264.329 0.786 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC2(CC1)OCCO2 ZINC001255622840 808414575 /nfs/dbraw/zinc/41/45/75/808414575.db2.gz LKIICVZFUBQXPM-GFCCVEGCSA-N 1 2 251.330 0.469 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001278888555 808428868 /nfs/dbraw/zinc/42/88/68/808428868.db2.gz UCEWTTYJBNBNQW-NWDGAFQWSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)CC=C)C1 ZINC001278910505 808469629 /nfs/dbraw/zinc/46/96/29/808469629.db2.gz GKFZNNRFFGSHIW-UHFFFAOYSA-N 1 2 264.369 0.775 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccn3ccnc23)C1 ZINC001278913576 808472594 /nfs/dbraw/zinc/47/25/94/808472594.db2.gz GQPFCPVRQWRCMB-UHFFFAOYSA-N 1 2 298.346 0.134 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001083526114 815213610 /nfs/dbraw/zinc/21/36/10/815213610.db2.gz BTRZZLJGYZOOAC-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001083526114 815213615 /nfs/dbraw/zinc/21/36/15/815213615.db2.gz BTRZZLJGYZOOAC-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@@H](O)C1 ZINC001083668959 815641735 /nfs/dbraw/zinc/64/17/35/815641735.db2.gz NWNLNJXSTJOTIM-TUAOUCFPSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@@H](O)C1 ZINC001083668959 815641740 /nfs/dbraw/zinc/64/17/40/815641740.db2.gz NWNLNJXSTJOTIM-TUAOUCFPSA-N 1 2 286.322 0.606 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076105898 815244803 /nfs/dbraw/zinc/24/48/03/815244803.db2.gz QOADAOQJYYLNJW-QWHCGFSZSA-N 1 2 273.340 0.329 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001076303539 815272348 /nfs/dbraw/zinc/27/23/48/815272348.db2.gz YPYUTTPSMWZJRV-MELADBBJSA-N 1 2 287.367 0.890 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988113 809425742 /nfs/dbraw/zinc/42/57/42/809425742.db2.gz MBTUHHLKWNQTQF-DOMZBBRYSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988113 809425748 /nfs/dbraw/zinc/42/57/48/809425748.db2.gz MBTUHHLKWNQTQF-DOMZBBRYSA-N 1 2 291.399 0.974 20 30 CCEDLO C=C(C)CCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263729312 809559366 /nfs/dbraw/zinc/55/93/66/809559366.db2.gz SBPLKNXGCDJNKY-ZDUSSCGKSA-N 1 2 268.405 0.888 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263748976 809561372 /nfs/dbraw/zinc/56/13/72/809561372.db2.gz MZOYFYWVLXSEMX-GFCCVEGCSA-N 1 2 281.356 0.098 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263748976 809561376 /nfs/dbraw/zinc/56/13/76/809561376.db2.gz MZOYFYWVLXSEMX-GFCCVEGCSA-N 1 2 281.356 0.098 20 30 CCEDLO CC[N@H+](CCCNC(=O)C#CC1CC1)Cc1cnon1 ZINC001265113484 809711536 /nfs/dbraw/zinc/71/15/36/809711536.db2.gz PCIBETGXOYOSGM-UHFFFAOYSA-N 1 2 276.340 0.811 20 30 CCEDLO CC[N@@H+](CCCNC(=O)C#CC1CC1)Cc1cnon1 ZINC001265113484 809711543 /nfs/dbraw/zinc/71/15/43/809711543.db2.gz PCIBETGXOYOSGM-UHFFFAOYSA-N 1 2 276.340 0.811 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001265259759 809734143 /nfs/dbraw/zinc/73/41/43/809734143.db2.gz KTJAJUUQZIPSLX-ARFHVFGLSA-N 1 2 289.423 0.790 20 30 CCEDLO C[C@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001265259476 809735239 /nfs/dbraw/zinc/73/52/39/809735239.db2.gz ABZITWOFMYFTIS-ZDUSSCGKSA-N 1 2 278.400 0.680 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001265294408 809748072 /nfs/dbraw/zinc/74/80/72/809748072.db2.gz BBAZWIBESNWMPY-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001265294408 809748074 /nfs/dbraw/zinc/74/80/74/809748074.db2.gz BBAZWIBESNWMPY-LBPRGKRZSA-N 1 2 297.399 0.152 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001076687897 815345367 /nfs/dbraw/zinc/34/53/67/815345367.db2.gz QSRXOMNEVIFRTL-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001076687897 815345373 /nfs/dbraw/zinc/34/53/73/815345373.db2.gz QSRXOMNEVIFRTL-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076689281 815347495 /nfs/dbraw/zinc/34/74/95/815347495.db2.gz BRAHPSNMFQSCEX-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076689281 815347502 /nfs/dbraw/zinc/34/75/02/815347502.db2.gz BRAHPSNMFQSCEX-VXGBXAGGSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001076828016 815387944 /nfs/dbraw/zinc/38/79/44/815387944.db2.gz KPMSANCCWNWTQW-GHMZBOCLSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001076828016 815387950 /nfs/dbraw/zinc/38/79/50/815387950.db2.gz KPMSANCCWNWTQW-GHMZBOCLSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001076856609 815398216 /nfs/dbraw/zinc/39/82/16/815398216.db2.gz APPDNWQSWSPSBG-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001076856609 815398223 /nfs/dbraw/zinc/39/82/23/815398223.db2.gz APPDNWQSWSPSBG-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038270205 811121162 /nfs/dbraw/zinc/12/11/62/811121162.db2.gz STJCSOCFAJAWMD-ZDUSSCGKSA-N 1 2 287.367 0.831 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038270205 811121166 /nfs/dbraw/zinc/12/11/66/811121166.db2.gz STJCSOCFAJAWMD-ZDUSSCGKSA-N 1 2 287.367 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001077010545 815432208 /nfs/dbraw/zinc/43/22/08/815432208.db2.gz BNVOSDFEDIODBK-MCIONIFRSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001077010545 815432212 /nfs/dbraw/zinc/43/22/12/815432212.db2.gz BNVOSDFEDIODBK-MCIONIFRSA-N 1 2 294.395 0.376 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001267656112 811624320 /nfs/dbraw/zinc/62/43/20/811624320.db2.gz WSROQDHNHWBPDP-LBPRGKRZSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCCC[NH+]1CC(NC(=O)CCc2cn[nH]n2)C1 ZINC001267660039 811628367 /nfs/dbraw/zinc/62/83/67/811628367.db2.gz KIAXMZGNTYAMON-UHFFFAOYSA-N 1 2 263.345 0.504 20 30 CCEDLO C=CCCC[NH+]1CC(NC(=O)CCc2c[nH]nn2)C1 ZINC001267660039 811628375 /nfs/dbraw/zinc/62/83/75/811628375.db2.gz KIAXMZGNTYAMON-UHFFFAOYSA-N 1 2 263.345 0.504 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CSC)C2)nn1 ZINC001098604589 811633491 /nfs/dbraw/zinc/63/34/91/811633491.db2.gz STUKEBXHJKNCSN-LBPRGKRZSA-N 1 2 293.396 0.137 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3snnc3C)[C@@H]2C1 ZINC001075536792 811644740 /nfs/dbraw/zinc/64/47/40/811644740.db2.gz KSKYRWSFEVMXMT-WDEREUQCSA-N 1 2 276.365 0.626 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3snnc3C)[C@@H]2C1 ZINC001075536792 811644741 /nfs/dbraw/zinc/64/47/41/811644741.db2.gz KSKYRWSFEVMXMT-WDEREUQCSA-N 1 2 276.365 0.626 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001267693587 811659403 /nfs/dbraw/zinc/65/94/03/811659403.db2.gz KOUSDWHCQWYIDZ-UHFFFAOYSA-N 1 2 253.346 0.122 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001077236207 815467212 /nfs/dbraw/zinc/46/72/12/815467212.db2.gz GSAUEWOFFPASSZ-VXGBXAGGSA-N 1 2 295.289 0.158 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001077236207 815467217 /nfs/dbraw/zinc/46/72/17/815467217.db2.gz GSAUEWOFFPASSZ-VXGBXAGGSA-N 1 2 295.289 0.158 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001267715872 811677821 /nfs/dbraw/zinc/67/78/21/811677821.db2.gz FBMJAHCKXKCHIF-STQMWFEESA-N 1 2 273.340 0.472 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001077266871 815470576 /nfs/dbraw/zinc/47/05/76/815470576.db2.gz NAFOWGNULDHPHC-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001077266871 815470579 /nfs/dbraw/zinc/47/05/79/815470579.db2.gz NAFOWGNULDHPHC-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083295552 811799742 /nfs/dbraw/zinc/79/97/42/811799742.db2.gz BMIXRUKKBVROLG-CABCVRRESA-N 1 2 258.321 0.219 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083295552 811799745 /nfs/dbraw/zinc/79/97/45/811799745.db2.gz BMIXRUKKBVROLG-CABCVRRESA-N 1 2 258.321 0.219 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)F)C2)nn1 ZINC001105130720 811852793 /nfs/dbraw/zinc/85/27/93/811852793.db2.gz SPJRXRWQHFWRDW-UHFFFAOYSA-N 1 2 279.319 0.132 20 30 CCEDLO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105238409 811870319 /nfs/dbraw/zinc/87/03/19/811870319.db2.gz YRSXQWBIDYTNGV-UHFFFAOYSA-N 1 2 293.346 0.380 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001268028591 812015011 /nfs/dbraw/zinc/01/50/11/812015011.db2.gz JKLGERBCMDDPCK-OCCSQVGLSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001268028591 812015020 /nfs/dbraw/zinc/01/50/20/812015020.db2.gz JKLGERBCMDDPCK-OCCSQVGLSA-N 1 2 292.383 0.527 20 30 CCEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)[nH+]1 ZINC001077419293 815497533 /nfs/dbraw/zinc/49/75/33/815497533.db2.gz VYRAKKYMUMFLJL-CHWSQXEVSA-N 1 2 288.351 0.305 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027995507 812203884 /nfs/dbraw/zinc/20/38/84/812203884.db2.gz QENGUOITELMSSH-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027995507 812203894 /nfs/dbraw/zinc/20/38/94/812203894.db2.gz QENGUOITELMSSH-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007836 812210971 /nfs/dbraw/zinc/21/09/71/812210971.db2.gz RBFFRGRDVLAFMP-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007836 812210975 /nfs/dbraw/zinc/21/09/75/812210975.db2.gz RBFFRGRDVLAFMP-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038859271 812258010 /nfs/dbraw/zinc/25/80/10/812258010.db2.gz CERYXNHBCVIEAK-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038859271 812258016 /nfs/dbraw/zinc/25/80/16/812258016.db2.gz CERYXNHBCVIEAK-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058919518 812384998 /nfs/dbraw/zinc/38/49/98/812384998.db2.gz UCBMEGDCWONRMR-NSHDSACASA-N 1 2 297.322 0.258 20 30 CCEDLO CCCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001268232025 812395529 /nfs/dbraw/zinc/39/55/29/812395529.db2.gz HKOSROFCGQHCFO-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO CCCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001268232025 812395533 /nfs/dbraw/zinc/39/55/33/812395533.db2.gz HKOSROFCGQHCFO-GFCCVEGCSA-N 1 2 282.388 0.453 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC1(C)C ZINC001268244674 812410322 /nfs/dbraw/zinc/41/03/22/812410322.db2.gz GOLDDGWOHAZDTJ-LBPRGKRZSA-N 1 2 294.399 0.453 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC1(C)C ZINC001268244674 812410328 /nfs/dbraw/zinc/41/03/28/812410328.db2.gz GOLDDGWOHAZDTJ-LBPRGKRZSA-N 1 2 294.399 0.453 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001075622075 812509110 /nfs/dbraw/zinc/50/91/10/812509110.db2.gz DJEDTJBKQBDJNQ-GXTWGEPZSA-N 1 2 272.352 0.888 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001075622075 812509114 /nfs/dbraw/zinc/50/91/14/812509114.db2.gz DJEDTJBKQBDJNQ-GXTWGEPZSA-N 1 2 272.352 0.888 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001058946792 812578679 /nfs/dbraw/zinc/57/86/79/812578679.db2.gz XIMYRMFMQNZVOA-NSHDSACASA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001268462647 812605990 /nfs/dbraw/zinc/60/59/90/812605990.db2.gz HLTRPVMIJGNNCW-UHFFFAOYSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)C1 ZINC001268491119 812683944 /nfs/dbraw/zinc/68/39/44/812683944.db2.gz DETJAPGPYHGZOA-ZFWWWQNUSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccsc2)C1 ZINC001268509982 812740514 /nfs/dbraw/zinc/74/05/14/812740514.db2.gz KHTXJLMVHNOFIX-UHFFFAOYSA-N 1 2 291.376 0.159 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C\C[NH2+]Cc1nncs1 ZINC001268535202 812777038 /nfs/dbraw/zinc/77/70/38/812777038.db2.gz CGRGBODBCGPASK-UPHRSURJSA-N 1 2 276.365 0.714 20 30 CCEDLO C[C@@H](NC(=O)NCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000426435658 812804796 /nfs/dbraw/zinc/80/47/96/812804796.db2.gz DDFKLJOHGATBEI-MNOVXSKESA-N 1 2 254.334 0.308 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001126379138 812825230 /nfs/dbraw/zinc/82/52/30/812825230.db2.gz XUGSQSPORMWQRL-SKDRFNHKSA-N 1 2 284.385 0.632 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](O)C1 ZINC001083333233 812882917 /nfs/dbraw/zinc/88/29/17/812882917.db2.gz KFQMXWVVOSOZLK-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](O)C1 ZINC001083333233 812882920 /nfs/dbraw/zinc/88/29/20/812882920.db2.gz KFQMXWVVOSOZLK-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268734248 813049084 /nfs/dbraw/zinc/04/90/84/813049084.db2.gz SIVJTLBXLMXQKL-VIFPVBQESA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268734248 813049086 /nfs/dbraw/zinc/04/90/86/813049086.db2.gz SIVJTLBXLMXQKL-VIFPVBQESA-N 1 2 275.780 0.687 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCC2CC2)C1 ZINC001268813625 813099031 /nfs/dbraw/zinc/09/90/31/813099031.db2.gz BMOXHYIZGINIKG-GFCCVEGCSA-N 1 2 291.395 0.363 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](O)C1 ZINC001083636740 815578656 /nfs/dbraw/zinc/57/86/56/815578656.db2.gz KTKSKBRXJKHUQV-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](O)C1 ZINC001083636740 815578659 /nfs/dbraw/zinc/57/86/59/815578659.db2.gz KTKSKBRXJKHUQV-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001268922327 813143670 /nfs/dbraw/zinc/14/36/70/813143670.db2.gz NCRAYXWPTHYWIC-UBHSHLNASA-N 1 2 291.395 0.762 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001268922327 813143674 /nfs/dbraw/zinc/14/36/74/813143674.db2.gz NCRAYXWPTHYWIC-UBHSHLNASA-N 1 2 291.395 0.762 20 30 CCEDLO C#CC(=O)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001268942676 813152506 /nfs/dbraw/zinc/15/25/06/813152506.db2.gz XCFHZHUMGDTRRV-UHFFFAOYSA-N 1 2 258.325 0.467 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001269010008 813175838 /nfs/dbraw/zinc/17/58/38/813175838.db2.gz WFCOIXQWYBKAKT-LBPRGKRZSA-N 1 2 280.368 0.442 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001269010008 813175842 /nfs/dbraw/zinc/17/58/42/813175842.db2.gz WFCOIXQWYBKAKT-LBPRGKRZSA-N 1 2 280.368 0.442 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001269069960 813203160 /nfs/dbraw/zinc/20/31/60/813203160.db2.gz ZQEWQJPNKXCCAT-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001127045468 815599340 /nfs/dbraw/zinc/59/93/40/815599340.db2.gz BNXDYYBQEVLLKG-NWDGAFQWSA-N 1 2 279.340 0.788 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001269069960 813203156 /nfs/dbraw/zinc/20/31/56/813203156.db2.gz ZQEWQJPNKXCCAT-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO N#Cc1cccnc1N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001059079809 813240213 /nfs/dbraw/zinc/24/02/13/813240213.db2.gz VZHDGYLSEOIMHC-LBPRGKRZSA-N 1 2 296.334 0.932 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001269196751 813258751 /nfs/dbraw/zinc/25/87/51/813258751.db2.gz YJZTVWGDSMYLJO-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001269196751 813258756 /nfs/dbraw/zinc/25/87/56/813258756.db2.gz YJZTVWGDSMYLJO-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001269209891 813269302 /nfs/dbraw/zinc/26/93/02/813269302.db2.gz FENXROPOZWVDRA-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001269209891 813269312 /nfs/dbraw/zinc/26/93/12/813269312.db2.gz FENXROPOZWVDRA-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001269229923 813279322 /nfs/dbraw/zinc/27/93/22/813279322.db2.gz SHJRBQKHRVHOIC-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001269229923 813279326 /nfs/dbraw/zinc/27/93/26/813279326.db2.gz SHJRBQKHRVHOIC-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(C)no1 ZINC001269377380 813347714 /nfs/dbraw/zinc/34/77/14/813347714.db2.gz FCYJZQFPBXRAJW-SCZZXKLOSA-N 1 2 265.317 0.522 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001270507592 813789578 /nfs/dbraw/zinc/78/95/78/813789578.db2.gz LQEQZUZLTORFMM-NSHDSACASA-N 1 2 286.335 0.591 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001270656579 813876454 /nfs/dbraw/zinc/87/64/54/813876454.db2.gz DFZBCEDXFCLPQB-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001270656579 813876463 /nfs/dbraw/zinc/87/64/63/813876463.db2.gz DFZBCEDXFCLPQB-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO CC#CC(=O)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001270713183 813901556 /nfs/dbraw/zinc/90/15/56/813901556.db2.gz RDBHMGBVNXMGHU-UHFFFAOYSA-N 1 2 272.352 0.857 20 30 CCEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059250394 814010023 /nfs/dbraw/zinc/01/00/23/814010023.db2.gz TZTNFIAJXWSUBT-JOCQHMNTSA-N 1 2 296.334 0.331 20 30 CCEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059250197 814010194 /nfs/dbraw/zinc/01/01/94/814010194.db2.gz IEIZGWUAWZBVCK-XYPYZODXSA-N 1 2 297.322 0.304 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CC)nn1 ZINC001029507582 814337149 /nfs/dbraw/zinc/33/71/49/814337149.db2.gz QXMIZPWODGYGCT-OKILXGFUSA-N 1 2 299.378 0.776 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CC)nn1 ZINC001029507582 814337158 /nfs/dbraw/zinc/33/71/58/814337158.db2.gz QXMIZPWODGYGCT-OKILXGFUSA-N 1 2 299.378 0.776 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2conc2C(C)C)C1 ZINC001271298130 814368680 /nfs/dbraw/zinc/36/86/80/814368680.db2.gz UYERKKFWHCXAKI-UHFFFAOYSA-N 1 2 291.351 0.598 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121073 814417072 /nfs/dbraw/zinc/41/70/72/814417072.db2.gz NEBRTBCYOVRBSX-NEPJUHHUSA-N 1 2 273.340 0.256 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271559893 814477381 /nfs/dbraw/zinc/47/73/81/814477381.db2.gz FUUQOGPKBBJFQG-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001127039870 815590450 /nfs/dbraw/zinc/59/04/50/815590450.db2.gz SJBPWIQPDZSQKQ-NSHDSACASA-N 1 2 265.313 0.227 20 30 CCEDLO Cc1nc(NC[C@H](O)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001105812009 815882518 /nfs/dbraw/zinc/88/25/18/815882518.db2.gz OQARQNXQJJFSNA-LBPRGKRZSA-N 1 2 276.340 0.333 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001030308140 815969928 /nfs/dbraw/zinc/96/99/28/815969928.db2.gz SDUWELMPUGUERH-UHFFFAOYSA-N 1 2 269.348 0.937 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCOC)nc2C)C1 ZINC001030306496 815970061 /nfs/dbraw/zinc/97/00/61/815970061.db2.gz SJMWVHNZZRTQTN-UHFFFAOYSA-N 1 2 290.367 0.275 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030331525 815978589 /nfs/dbraw/zinc/97/85/89/815978589.db2.gz HZSGXEBYKLQZAM-YUTCNCBUSA-N 1 2 282.384 0.803 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001030360593 815995113 /nfs/dbraw/zinc/99/51/13/815995113.db2.gz RLLROSHZVQVVTC-AWEZNQCLSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001077462438 816002389 /nfs/dbraw/zinc/00/23/89/816002389.db2.gz SVBQXGHWKLSIQO-VXGBXAGGSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001077462438 816002394 /nfs/dbraw/zinc/00/23/94/816002394.db2.gz SVBQXGHWKLSIQO-VXGBXAGGSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001030385316 816006383 /nfs/dbraw/zinc/00/63/83/816006383.db2.gz DMYLAFRKVKGEDH-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CCN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030513272 816079813 /nfs/dbraw/zinc/07/98/13/816079813.db2.gz DACRUJCDJDUTDD-UHFFFAOYSA-N 1 2 260.341 0.360 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001030542637 816098131 /nfs/dbraw/zinc/09/81/31/816098131.db2.gz LQOSXAFMBGPHQT-UHFFFAOYSA-N 1 2 261.325 0.375 20 30 CCEDLO C=C(C)CN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544846 816099805 /nfs/dbraw/zinc/09/98/05/816099805.db2.gz ZVXQBMRLGBQQIC-GFCCVEGCSA-N 1 2 274.368 0.822 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@@H](O)C1 ZINC001083678409 816187290 /nfs/dbraw/zinc/18/72/90/816187290.db2.gz QSPHQUHBSLMQBR-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@@H](O)C1 ZINC001083678409 816187295 /nfs/dbraw/zinc/18/72/95/816187295.db2.gz QSPHQUHBSLMQBR-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001030726064 816251941 /nfs/dbraw/zinc/25/19/41/816251941.db2.gz YNWHXAZGJKULHM-VXGBXAGGSA-N 1 2 277.368 0.115 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001030822833 816318438 /nfs/dbraw/zinc/31/84/38/816318438.db2.gz PXYZBJUEDZLMJB-AWEZNQCLSA-N 1 2 265.357 0.279 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001030836782 816331666 /nfs/dbraw/zinc/33/16/66/816331666.db2.gz XVPVDNAPEUBXSN-UHFFFAOYSA-N 1 2 273.336 0.838 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001030921231 816438469 /nfs/dbraw/zinc/43/84/69/816438469.db2.gz AYWXUQJLFWOHKS-AAEUAGOBSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cn(C)nc2Cl)C1 ZINC001030951354 816491823 /nfs/dbraw/zinc/49/18/23/816491823.db2.gz RZVYWNXEWYUZSC-UHFFFAOYSA-N 1 2 282.775 0.993 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001272528567 816554887 /nfs/dbraw/zinc/55/48/87/816554887.db2.gz AWQPIHWFBJBRDP-LLVKDONJSA-N 1 2 298.412 0.707 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001031088384 816634880 /nfs/dbraw/zinc/63/48/80/816634880.db2.gz TXXHEJIHMCALKX-KBPBESRZSA-N 1 2 262.353 0.791 20 30 CCEDLO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426272 816767654 /nfs/dbraw/zinc/76/76/54/816767654.db2.gz GKKYJENZJSXPJW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001031216823 816827544 /nfs/dbraw/zinc/82/75/44/816827544.db2.gz APMSYKGGEBMLRK-HNNXBMFYSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001031248461 816885427 /nfs/dbraw/zinc/88/54/27/816885427.db2.gz KCHHMSXEISYAOQ-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001031264805 816913966 /nfs/dbraw/zinc/91/39/66/816913966.db2.gz VFNJGJCGWJRUSP-UHFFFAOYSA-N 1 2 275.308 0.233 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001031328084 816984424 /nfs/dbraw/zinc/98/44/24/816984424.db2.gz ONNNXJWUPVHQFF-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001031374879 817008629 /nfs/dbraw/zinc/00/86/29/817008629.db2.gz IZHPBBOCSITBCC-UHFFFAOYSA-N 1 2 299.330 0.418 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251192 817237862 /nfs/dbraw/zinc/23/78/62/817237862.db2.gz ROXZMQSIMNRYNR-OPPUFKQISA-N 1 2 282.771 0.968 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251192 817237868 /nfs/dbraw/zinc/23/78/68/817237868.db2.gz ROXZMQSIMNRYNR-OPPUFKQISA-N 1 2 282.771 0.968 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001077561000 817279401 /nfs/dbraw/zinc/27/94/01/817279401.db2.gz RCCJJENKBSTLED-CHWSQXEVSA-N 1 2 276.336 0.811 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001077561000 817279406 /nfs/dbraw/zinc/27/94/06/817279406.db2.gz RCCJJENKBSTLED-CHWSQXEVSA-N 1 2 276.336 0.811 20 30 CCEDLO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cn[nH]n3)C2)c1 ZINC001031805812 817380364 /nfs/dbraw/zinc/38/03/64/817380364.db2.gz UKIZMYQHGUITHL-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cnn[nH]3)C2)c1 ZINC001031805812 817380376 /nfs/dbraw/zinc/38/03/76/817380376.db2.gz UKIZMYQHGUITHL-UHFFFAOYSA-N 1 2 296.334 0.538 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001077568837 817401910 /nfs/dbraw/zinc/40/19/10/817401910.db2.gz RSQYBZNUZKAITL-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001077568837 817401919 /nfs/dbraw/zinc/40/19/19/817401919.db2.gz RSQYBZNUZKAITL-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001032126324 817656009 /nfs/dbraw/zinc/65/60/09/817656009.db2.gz AYLDJYSKPIWDNO-NSHDSACASA-N 1 2 275.356 0.144 20 30 CCEDLO C=CC[NH+]1CC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001032126324 817656014 /nfs/dbraw/zinc/65/60/14/817656014.db2.gz AYLDJYSKPIWDNO-NSHDSACASA-N 1 2 275.356 0.144 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001032208416 817703221 /nfs/dbraw/zinc/70/32/21/817703221.db2.gz WRMVZHLCHFYRON-LBPRGKRZSA-N 1 2 299.802 0.655 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107147418 817795013 /nfs/dbraw/zinc/79/50/13/817795013.db2.gz ZOLBCRPMFHCIHF-JTQLQIEISA-N 1 2 274.328 0.097 20 30 CCEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)nc1 ZINC001107240655 817817882 /nfs/dbraw/zinc/81/78/82/817817882.db2.gz QPXMZEBZTJTFDT-OWOJBTEDSA-N 1 2 296.334 0.934 20 30 CCEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)nc1 ZINC001107240656 817817907 /nfs/dbraw/zinc/81/79/07/817817907.db2.gz QPXMZEBZTJTFDT-UPHRSURJSA-N 1 2 296.334 0.934 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C ZINC001032322652 817862546 /nfs/dbraw/zinc/86/25/46/817862546.db2.gz VYSCVSQUIBUFBB-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C ZINC001032322652 817862556 /nfs/dbraw/zinc/86/25/56/817862556.db2.gz VYSCVSQUIBUFBB-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCOC1 ZINC001032345511 817949047 /nfs/dbraw/zinc/94/90/47/817949047.db2.gz BBDOKPNEQQQVLM-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCOC1 ZINC001032345511 817949052 /nfs/dbraw/zinc/94/90/52/817949052.db2.gz BBDOKPNEQQQVLM-RDBSUJKOSA-N 1 2 262.353 0.721 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107706968 817953945 /nfs/dbraw/zinc/95/39/45/817953945.db2.gz DRELBHSWXILZLU-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cn1 ZINC001032367602 818017541 /nfs/dbraw/zinc/01/75/41/818017541.db2.gz FIOHAGAIDGSKRG-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cn1 ZINC001032367602 818017547 /nfs/dbraw/zinc/01/75/47/818017547.db2.gz FIOHAGAIDGSKRG-RYUDHWBXSA-N 1 2 259.284 0.753 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107807167 818021873 /nfs/dbraw/zinc/02/18/73/818021873.db2.gz UTZUSYIAWQHCDQ-ZFWWWQNUSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107807167 818021883 /nfs/dbraw/zinc/02/18/83/818021883.db2.gz UTZUSYIAWQHCDQ-ZFWWWQNUSA-N 1 2 282.384 0.806 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001107812401 818027703 /nfs/dbraw/zinc/02/77/03/818027703.db2.gz NXWKRLOWEYPXES-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 ZINC001078796137 818050439 /nfs/dbraw/zinc/05/04/39/818050439.db2.gz WWDRALQNLQVAAB-STQMWFEESA-N 1 2 287.367 0.801 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001083805403 818058090 /nfs/dbraw/zinc/05/80/90/818058090.db2.gz NJOZOFUDUXDUKG-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001083805403 818058100 /nfs/dbraw/zinc/05/81/00/818058100.db2.gz NJOZOFUDUXDUKG-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC001038082027 818122879 /nfs/dbraw/zinc/12/28/79/818122879.db2.gz HPWSQESRRKALKI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnns1 ZINC001038082027 818122885 /nfs/dbraw/zinc/12/28/85/818122885.db2.gz HPWSQESRRKALKI-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(CC#N)C1 ZINC001043915450 818196132 /nfs/dbraw/zinc/19/61/32/818196132.db2.gz LNMAMPQRFUJTST-VXGBXAGGSA-N 1 2 273.340 0.190 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001128405058 818220756 /nfs/dbraw/zinc/22/07/56/818220756.db2.gz MBEVQHASSYXHLR-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001128405103 818221301 /nfs/dbraw/zinc/22/13/01/818221301.db2.gz OIJUQXCNKCDWJC-UHFFFAOYSA-N 1 2 281.360 0.698 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032960774 818388746 /nfs/dbraw/zinc/38/87/46/818388746.db2.gz ATIAPSHGUCSYPN-GHMZBOCLSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032960774 818388752 /nfs/dbraw/zinc/38/87/52/818388752.db2.gz ATIAPSHGUCSYPN-GHMZBOCLSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090089929 818491119 /nfs/dbraw/zinc/49/11/19/818491119.db2.gz BRGCBAKVMIVBDT-QWRGUYRKSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001090089929 818491115 /nfs/dbraw/zinc/49/11/15/818491115.db2.gz BRGCBAKVMIVBDT-QWRGUYRKSA-N 1 2 260.765 0.946 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 ZINC001033159644 818585841 /nfs/dbraw/zinc/58/58/41/818585841.db2.gz DVXCZWOBFKECHQ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 ZINC001033159644 818585846 /nfs/dbraw/zinc/58/58/46/818585846.db2.gz DVXCZWOBFKECHQ-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001033342146 818726768 /nfs/dbraw/zinc/72/67/68/818726768.db2.gz SECQPBLKVRYBAI-RYUDHWBXSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001033342146 818726772 /nfs/dbraw/zinc/72/67/72/818726772.db2.gz SECQPBLKVRYBAI-RYUDHWBXSA-N 1 2 299.802 0.750 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033396187 818752140 /nfs/dbraw/zinc/75/21/40/818752140.db2.gz NQCDZEAKEQGQPH-LLVKDONJSA-N 1 2 276.340 0.295 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033396187 818752146 /nfs/dbraw/zinc/75/21/46/818752146.db2.gz NQCDZEAKEQGQPH-LLVKDONJSA-N 1 2 276.340 0.295 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504557 818798886 /nfs/dbraw/zinc/79/88/86/818798886.db2.gz IGAFJQRVSZQWBD-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504557 818798893 /nfs/dbraw/zinc/79/88/93/818798893.db2.gz IGAFJQRVSZQWBD-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO N#CCN1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001034458200 819213633 /nfs/dbraw/zinc/21/36/33/819213633.db2.gz LOXCNCBCILNTOJ-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C(/C)CC)[C@@H](n2ccnn2)C1 ZINC001128972492 819252127 /nfs/dbraw/zinc/25/21/27/819252127.db2.gz YYJNGDJDSJKOJH-CUSVYIHLSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C(/C)CC)[C@@H](n2ccnn2)C1 ZINC001128972492 819252134 /nfs/dbraw/zinc/25/21/34/819252134.db2.gz YYJNGDJDSJKOJH-CUSVYIHLSA-N 1 2 287.367 0.609 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001108151793 819321387 /nfs/dbraw/zinc/32/13/87/819321387.db2.gz TZIZLHSZLOYLLZ-CYBMUJFWSA-N 1 2 297.380 0.855 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001108151793 819321391 /nfs/dbraw/zinc/32/13/91/819321391.db2.gz TZIZLHSZLOYLLZ-CYBMUJFWSA-N 1 2 297.380 0.855 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 ZINC000704297297 819372268 /nfs/dbraw/zinc/37/22/68/819372268.db2.gz OPGWTMUDYOBMNE-SNAWJCMRSA-N 1 2 258.325 0.211 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035293390 819440355 /nfs/dbraw/zinc/44/03/55/819440355.db2.gz LYANQNLMTZYONM-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035293390 819440361 /nfs/dbraw/zinc/44/03/61/819440361.db2.gz LYANQNLMTZYONM-ZDUSSCGKSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cncs2)C1 ZINC001035301902 819455407 /nfs/dbraw/zinc/45/54/07/819455407.db2.gz VHERZUHOIRJLGD-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cncs2)C1 ZINC001035301902 819455408 /nfs/dbraw/zinc/45/54/08/819455408.db2.gz VHERZUHOIRJLGD-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035326644 819472106 /nfs/dbraw/zinc/47/21/06/819472106.db2.gz GEYFDRFXEPYIJN-CYBMUJFWSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001035326644 819472110 /nfs/dbraw/zinc/47/21/10/819472110.db2.gz GEYFDRFXEPYIJN-CYBMUJFWSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035349629 819493085 /nfs/dbraw/zinc/49/30/85/819493085.db2.gz XLUNHCJKIGYQDT-CYBMUJFWSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035349629 819493091 /nfs/dbraw/zinc/49/30/91/819493091.db2.gz XLUNHCJKIGYQDT-CYBMUJFWSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001035393548 819505933 /nfs/dbraw/zinc/50/59/33/819505933.db2.gz FOMOFRPOKZLHLY-GFCCVEGCSA-N 1 2 293.371 0.223 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001035393548 819505937 /nfs/dbraw/zinc/50/59/37/819505937.db2.gz FOMOFRPOKZLHLY-GFCCVEGCSA-N 1 2 293.371 0.223 20 30 CCEDLO C#CCN1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035416385 819519973 /nfs/dbraw/zinc/51/99/73/819519973.db2.gz JOUMCALSRNBXQO-CYBMUJFWSA-N 1 2 298.346 0.627 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001035491920 819548081 /nfs/dbraw/zinc/54/80/81/819548081.db2.gz HAURFXTWPCNCMJ-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001035491920 819548086 /nfs/dbraw/zinc/54/80/86/819548086.db2.gz HAURFXTWPCNCMJ-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035533935 819559609 /nfs/dbraw/zinc/55/96/09/819559609.db2.gz RHFYWYDMMARBPU-NWDGAFQWSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035533935 819559613 /nfs/dbraw/zinc/55/96/13/819559613.db2.gz RHFYWYDMMARBPU-NWDGAFQWSA-N 1 2 250.342 0.790 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nocc2C)C1 ZINC001035572744 819562496 /nfs/dbraw/zinc/56/24/96/819562496.db2.gz IYOCUMBHFACTLL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nocc2C)C1 ZINC001035572744 819562498 /nfs/dbraw/zinc/56/24/98/819562498.db2.gz IYOCUMBHFACTLL-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035561544 819570098 /nfs/dbraw/zinc/57/00/98/819570098.db2.gz ATZVANUNDLAYSC-GFCCVEGCSA-N 1 2 292.335 0.742 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035561544 819570105 /nfs/dbraw/zinc/57/01/05/819570105.db2.gz ATZVANUNDLAYSC-GFCCVEGCSA-N 1 2 292.335 0.742 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035590460 819579253 /nfs/dbraw/zinc/57/92/53/819579253.db2.gz VRGMLEVABDJNOM-NSHDSACASA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035590460 819579248 /nfs/dbraw/zinc/57/92/48/819579248.db2.gz VRGMLEVABDJNOM-NSHDSACASA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001035589481 819579455 /nfs/dbraw/zinc/57/94/55/819579455.db2.gz QMPKJMNKBIHDRX-KBPBESRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001035589481 819579460 /nfs/dbraw/zinc/57/94/60/819579460.db2.gz QMPKJMNKBIHDRX-KBPBESRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)[C@@H](n2ccnn2)C1 ZINC001129223401 819675446 /nfs/dbraw/zinc/67/54/46/819675446.db2.gz BKKYEIVGHSURNN-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)[C@@H](n2ccnn2)C1 ZINC001129223401 819675452 /nfs/dbraw/zinc/67/54/52/819675452.db2.gz BKKYEIVGHSURNN-OLZOCXBDSA-N 1 2 289.383 0.689 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001036127470 819695035 /nfs/dbraw/zinc/69/50/35/819695035.db2.gz UNLOJUCQOQNWLR-OLZOCXBDSA-N 1 2 275.356 0.623 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)[C@@H](C)C1 ZINC001036273431 819719280 /nfs/dbraw/zinc/71/92/80/819719280.db2.gz GSGLQLURJDYNLK-CMPLNLGQSA-N 1 2 275.356 0.611 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000710260692 819822968 /nfs/dbraw/zinc/82/29/68/819822968.db2.gz GPVKTQITZAQWQS-UHFFFAOYSA-N 1 2 258.387 0.756 20 30 CCEDLO C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108186222 820100492 /nfs/dbraw/zinc/10/04/92/820100492.db2.gz MGCACBGVXGIYLC-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108186222 820100495 /nfs/dbraw/zinc/10/04/95/820100495.db2.gz MGCACBGVXGIYLC-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@@H](O)C1 ZINC001083920694 820265834 /nfs/dbraw/zinc/26/58/34/820265834.db2.gz OJFXTDRGESICFG-XQQFMLRXSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@@H](O)C1 ZINC001083920694 820265838 /nfs/dbraw/zinc/26/58/38/820265838.db2.gz OJFXTDRGESICFG-XQQFMLRXSA-N 1 2 262.353 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](OC)C1 ZINC001081415391 820759680 /nfs/dbraw/zinc/75/96/80/820759680.db2.gz VGBSHBBBLHLDLG-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](OC)C1 ZINC001081415391 820759687 /nfs/dbraw/zinc/75/96/87/820759687.db2.gz VGBSHBBBLHLDLG-ZIAGYGMSSA-N 1 2 290.367 0.181 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@H](OC)C1 ZINC001081475767 820770772 /nfs/dbraw/zinc/77/07/72/820770772.db2.gz VUMJNKHNBKZTRF-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@H](OC)C1 ZINC001081475767 820770778 /nfs/dbraw/zinc/77/07/78/820770778.db2.gz VUMJNKHNBKZTRF-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@H](OC)C1 ZINC001081548068 820796853 /nfs/dbraw/zinc/79/68/53/820796853.db2.gz LGWNHWPPWBACBD-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@H](OC)C1 ZINC001081548068 820796858 /nfs/dbraw/zinc/79/68/58/820796858.db2.gz LGWNHWPPWBACBD-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H](OC)C1 ZINC001082164793 820912159 /nfs/dbraw/zinc/91/21/59/820912159.db2.gz FMMDGRAJTNPCHR-ZIAGYGMSSA-N 1 2 288.351 0.349 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H](OC)C1 ZINC001082164793 820912164 /nfs/dbraw/zinc/91/21/64/820912164.db2.gz FMMDGRAJTNPCHR-ZIAGYGMSSA-N 1 2 288.351 0.349 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001082332907 820937292 /nfs/dbraw/zinc/93/72/92/820937292.db2.gz DOJQGSDLFQZEST-CHWSQXEVSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001082332907 820937299 /nfs/dbraw/zinc/93/72/99/820937299.db2.gz DOJQGSDLFQZEST-CHWSQXEVSA-N 1 2 277.324 0.299 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H](O)[C@H](CO)C3)c2c1 ZINC001164538457 820957287 /nfs/dbraw/zinc/95/72/87/820957287.db2.gz JMFLBPLXRHEDPR-GXTWGEPZSA-N 1 2 269.304 0.896 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H](O)[C@@H](CO)C3)c2c1 ZINC001164538465 820958153 /nfs/dbraw/zinc/95/81/53/820958153.db2.gz JMFLBPLXRHEDPR-OCCSQVGLSA-N 1 2 269.304 0.896 20 30 CCEDLO CCOC(=O)c1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641498 821001207 /nfs/dbraw/zinc/00/12/07/821001207.db2.gz MJIZOABECDCPJU-SNVBAGLBSA-N 1 2 260.297 0.560 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(F)(F)F)[C@H]2C1 ZINC001083017671 821111074 /nfs/dbraw/zinc/11/10/74/821111074.db2.gz SWUQDKXGNCFAKQ-VHSXEESVSA-N 1 2 276.258 0.484 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(F)(F)F)[C@H]2C1 ZINC001083017671 821111079 /nfs/dbraw/zinc/11/10/79/821111079.db2.gz SWUQDKXGNCFAKQ-VHSXEESVSA-N 1 2 276.258 0.484 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cocn3)[C@H]2C1 ZINC001083023075 821113841 /nfs/dbraw/zinc/11/38/41/821113841.db2.gz NPUIPHXGNKQRFE-NWDGAFQWSA-N 1 2 263.297 0.386 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cocn3)[C@H]2C1 ZINC001083023075 821113846 /nfs/dbraw/zinc/11/38/46/821113846.db2.gz NPUIPHXGNKQRFE-NWDGAFQWSA-N 1 2 263.297 0.386 20 30 CCEDLO Cc1nnn([NH+]=C[C@H]2CCN(c3cnn(C)c3)C2)c1C ZINC001119357375 821179867 /nfs/dbraw/zinc/17/98/67/821179867.db2.gz GNTDXJWVURYJCL-GFCCVEGCSA-N 1 2 273.344 0.989 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC3CCC2CC3)[C@@H](O)C1 ZINC001084095775 821197765 /nfs/dbraw/zinc/19/77/65/821197765.db2.gz OSYGQSAJLDSDRY-PCGVCOGMSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC3CCC2CC3)[C@@H](O)C1 ZINC001084095775 821197766 /nfs/dbraw/zinc/19/77/66/821197766.db2.gz OSYGQSAJLDSDRY-PCGVCOGMSA-N 1 2 276.380 0.607 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001084236311 821249093 /nfs/dbraw/zinc/24/90/93/821249093.db2.gz DMIWFMKFJZYFAL-YRGRVCCFSA-N 1 2 287.367 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001084236311 821249100 /nfs/dbraw/zinc/24/91/00/821249100.db2.gz DMIWFMKFJZYFAL-YRGRVCCFSA-N 1 2 287.367 0.612 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653661 821339824 /nfs/dbraw/zinc/33/98/24/821339824.db2.gz QFWILKQQFQGVJD-YRGRVCCFSA-N 1 2 299.378 0.886 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461799 821293561 /nfs/dbraw/zinc/29/35/61/821293561.db2.gz RHXQPQNNTMPTGU-UMVBOHGHSA-N 1 2 299.378 0.502 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001084633757 821332345 /nfs/dbraw/zinc/33/23/45/821332345.db2.gz SCMJPQPQQDDYHX-DGCLKSJQSA-N 1 2 288.351 0.295 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC001084633757 821332356 /nfs/dbraw/zinc/33/23/56/821332356.db2.gz SCMJPQPQQDDYHX-DGCLKSJQSA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001084867357 821414300 /nfs/dbraw/zinc/41/43/00/821414300.db2.gz JJKYSRABXPCYMZ-GHMZBOCLSA-N 1 2 260.297 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001084867357 821414304 /nfs/dbraw/zinc/41/43/04/821414304.db2.gz JJKYSRABXPCYMZ-GHMZBOCLSA-N 1 2 260.297 0.158 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795366 821449383 /nfs/dbraw/zinc/44/93/83/821449383.db2.gz LAHMBLBIRMYJJM-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795366 821449388 /nfs/dbraw/zinc/44/93/88/821449388.db2.gz LAHMBLBIRMYJJM-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000712276863 821460278 /nfs/dbraw/zinc/46/02/78/821460278.db2.gz MDAWKJNNFOBFMC-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000712276863 821460284 /nfs/dbraw/zinc/46/02/84/821460284.db2.gz MDAWKJNNFOBFMC-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnc2n1CCOC2 ZINC001120278333 821530850 /nfs/dbraw/zinc/53/08/50/821530850.db2.gz YGPBZQYUFZZZHL-LLVKDONJSA-N 1 2 259.313 0.946 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001098307060 821668331 /nfs/dbraw/zinc/66/83/31/821668331.db2.gz SLYGGOSMHKCANK-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001085586316 821825557 /nfs/dbraw/zinc/82/55/57/821825557.db2.gz RVMSULHKMCKRJR-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001085586316 821825564 /nfs/dbraw/zinc/82/55/64/821825564.db2.gz RVMSULHKMCKRJR-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2ccnn21 ZINC001085635062 821864487 /nfs/dbraw/zinc/86/44/87/821864487.db2.gz IDDINOZILSUVCN-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2ccnn21 ZINC001085635062 821864493 /nfs/dbraw/zinc/86/44/93/821864493.db2.gz IDDINOZILSUVCN-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643146 821867038 /nfs/dbraw/zinc/86/70/38/821867038.db2.gz GKBKSLLYKAJXQN-NSHDSACASA-N 1 2 274.324 0.055 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643146 821867046 /nfs/dbraw/zinc/86/70/46/821867046.db2.gz GKBKSLLYKAJXQN-NSHDSACASA-N 1 2 274.324 0.055 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670074 821884496 /nfs/dbraw/zinc/88/44/96/821884496.db2.gz NXWFGVZKLFVQNU-HZSPNIEDSA-N 1 2 281.400 0.424 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670074 821884503 /nfs/dbraw/zinc/88/45/03/821884503.db2.gz NXWFGVZKLFVQNU-HZSPNIEDSA-N 1 2 281.400 0.424 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001085746901 821927528 /nfs/dbraw/zinc/92/75/28/821927528.db2.gz SILRFXORKGGSLG-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001085746901 821927533 /nfs/dbraw/zinc/92/75/33/821927533.db2.gz SILRFXORKGGSLG-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cccnc12 ZINC001085757604 821936187 /nfs/dbraw/zinc/93/61/87/821936187.db2.gz MFCMLAYMJYNICX-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cccnc12 ZINC001085757604 821936192 /nfs/dbraw/zinc/93/61/92/821936192.db2.gz MFCMLAYMJYNICX-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnn1 ZINC001085888910 821998883 /nfs/dbraw/zinc/99/88/83/821998883.db2.gz LMEVAXQOUDSOAZ-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnn1 ZINC001085888910 821998889 /nfs/dbraw/zinc/99/88/89/821998889.db2.gz LMEVAXQOUDSOAZ-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085908002 822008640 /nfs/dbraw/zinc/00/86/40/822008640.db2.gz VBKAZSRCPTVBAL-ZDUSSCGKSA-N 1 2 287.363 0.853 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085908002 822008650 /nfs/dbraw/zinc/00/86/50/822008650.db2.gz VBKAZSRCPTVBAL-ZDUSSCGKSA-N 1 2 287.363 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906409 822008754 /nfs/dbraw/zinc/00/87/54/822008754.db2.gz HRSMVJDFQKUBBO-GFCCVEGCSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906409 822008763 /nfs/dbraw/zinc/00/87/63/822008763.db2.gz HRSMVJDFQKUBBO-GFCCVEGCSA-N 1 2 274.324 0.265 20 30 CCEDLO C=C(C)CNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001155661677 822222020 /nfs/dbraw/zinc/22/20/20/822222020.db2.gz BYRWDQTXASZIJB-JTQLQIEISA-N 1 2 261.329 0.919 20 30 CCEDLO C=C(C)CNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001155661677 822222027 /nfs/dbraw/zinc/22/20/27/822222027.db2.gz BYRWDQTXASZIJB-JTQLQIEISA-N 1 2 261.329 0.919 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114050824 837417331 /nfs/dbraw/zinc/41/73/31/837417331.db2.gz JLBYWJUOJRCDFP-IMRBUKKESA-N 1 2 293.392 0.892 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114050824 837417336 /nfs/dbraw/zinc/41/73/36/837417336.db2.gz JLBYWJUOJRCDFP-IMRBUKKESA-N 1 2 293.392 0.892 20 30 CCEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)[nH]1 ZINC001114255556 837488869 /nfs/dbraw/zinc/48/88/69/837488869.db2.gz KWUOXNIAQMEJKS-GCVYGYKWSA-N 1 2 299.378 0.634 20 30 CCEDLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)[nH]1 ZINC001114255556 837488877 /nfs/dbraw/zinc/48/88/77/837488877.db2.gz KWUOXNIAQMEJKS-GCVYGYKWSA-N 1 2 299.378 0.634 20 30 CCEDLO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255706 837489243 /nfs/dbraw/zinc/48/92/43/837489243.db2.gz MPEMAFJAIILSLW-MUYACECFSA-N 1 2 299.378 0.336 20 30 CCEDLO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255706 837489246 /nfs/dbraw/zinc/48/92/46/837489246.db2.gz MPEMAFJAIILSLW-MUYACECFSA-N 1 2 299.378 0.336 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337926 835974506 /nfs/dbraw/zinc/97/45/06/835974506.db2.gz QTIVFDQUBPVJPD-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO N#Cc1n[nH]cc1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929900 844121497 /nfs/dbraw/zinc/12/14/97/844121497.db2.gz VJYOWPHMWCIVGN-UHFFFAOYSA-N 1 2 256.269 0.830 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)c(C#N)cn2)C[NH2+]1 ZINC001156242238 836105572 /nfs/dbraw/zinc/10/55/72/836105572.db2.gz DSQNOWJCLNOCDR-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc2nc[nH]c2c(C#N)n1 ZINC001169652328 836407507 /nfs/dbraw/zinc/40/75/07/836407507.db2.gz YUGZHVLOHPLPDZ-VIFPVBQESA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1cc2nc[nH]c2c(C#N)n1 ZINC001169652328 836407512 /nfs/dbraw/zinc/40/75/12/836407512.db2.gz YUGZHVLOHPLPDZ-VIFPVBQESA-N 1 2 272.312 0.572 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC001112720010 836885245 /nfs/dbraw/zinc/88/52/45/836885245.db2.gz WASXOZKCUQVYDQ-UHFFFAOYSA-N 1 2 291.355 0.019 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001112721914 836886563 /nfs/dbraw/zinc/88/65/63/836886563.db2.gz VOIBQDXSJDQNQS-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112800968 836920032 /nfs/dbraw/zinc/92/00/32/836920032.db2.gz AJSRRNGSXUTKMV-UHFFFAOYSA-N 1 2 291.395 0.557 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001112813225 836924983 /nfs/dbraw/zinc/92/49/83/836924983.db2.gz OPATXBFSMJEPSA-AWEZNQCLSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 ZINC001112915435 836959787 /nfs/dbraw/zinc/95/97/87/836959787.db2.gz SCJGQZIXLHBCPI-UHFFFAOYSA-N 1 2 265.357 0.185 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113303325 837081725 /nfs/dbraw/zinc/08/17/25/837081725.db2.gz YLLNVZXHAQKQEK-HNNXBMFYSA-N 1 2 284.400 0.742 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ncccc1C#N ZINC001113898487 837358446 /nfs/dbraw/zinc/35/84/46/837358446.db2.gz VQJUBMKDPXYLAT-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCOC)CC1 ZINC001131334370 838052228 /nfs/dbraw/zinc/05/22/28/838052228.db2.gz PZCCDTZWAWPSKA-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCOC)CC1 ZINC001131334370 838052238 /nfs/dbraw/zinc/05/22/38/838052238.db2.gz PZCCDTZWAWPSKA-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2CCC2)C[N@@H+]1CC(=O)NCC#N ZINC001131724741 838187897 /nfs/dbraw/zinc/18/78/97/838187897.db2.gz HDQPJLCCPQWASN-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C2CCC2)C[N@H+]1CC(=O)NCC#N ZINC001131724741 838187902 /nfs/dbraw/zinc/18/79/02/838187902.db2.gz HDQPJLCCPQWASN-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCCF)C[N@@H+]1CC(=O)NCC#N ZINC001132232169 838342005 /nfs/dbraw/zinc/34/20/05/838342005.db2.gz ROZPRKXLKPEQMT-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCCF)C[N@H+]1CC(=O)NCC#N ZINC001132232169 838342012 /nfs/dbraw/zinc/34/20/12/838342012.db2.gz ROZPRKXLKPEQMT-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132653850 838458911 /nfs/dbraw/zinc/45/89/11/838458911.db2.gz STCWVHIPDXHMOU-LLVKDONJSA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001133371899 838613396 /nfs/dbraw/zinc/61/33/96/838613396.db2.gz XYMOURDWDVHOIG-QWHCGFSZSA-N 1 2 275.356 0.481 20 30 CCEDLO C=CCn1cc(C(=O)NCC[NH2+]Cc2ncc(C)o2)nn1 ZINC001134980231 839134197 /nfs/dbraw/zinc/13/41/97/839134197.db2.gz AASOZUPCZQIIRL-UHFFFAOYSA-N 1 2 290.327 0.280 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001144019358 839915389 /nfs/dbraw/zinc/91/53/89/839915389.db2.gz CACGFCLXHCTYOV-MNOVXSKESA-N 1 2 254.330 0.514 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001144019358 839915395 /nfs/dbraw/zinc/91/53/95/839915395.db2.gz CACGFCLXHCTYOV-MNOVXSKESA-N 1 2 254.330 0.514 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001273515441 844511334 /nfs/dbraw/zinc/51/13/34/844511334.db2.gz WNSOVSFEBHOSAF-ZDUSSCGKSA-N 1 2 293.367 0.993 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001273515441 844511340 /nfs/dbraw/zinc/51/13/40/844511340.db2.gz WNSOVSFEBHOSAF-ZDUSSCGKSA-N 1 2 293.367 0.993 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)nc1 ZINC001148376118 840796969 /nfs/dbraw/zinc/79/69/69/840796969.db2.gz BBHKTCQQSXQQNP-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO Cc1[nH+]ccn1-c1ccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nn1 ZINC001171362372 840950369 /nfs/dbraw/zinc/95/03/69/840950369.db2.gz CTHFMOODXCOREI-UFBFGSQYSA-N 1 2 288.311 0.619 20 30 CCEDLO C=CCOCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093555613 841360035 /nfs/dbraw/zinc/36/00/35/841360035.db2.gz YELQYUZNFIHBPL-UHFFFAOYSA-N 1 2 290.327 0.094 20 30 CCEDLO Cc1nc(NCCNC(=O)Cc2c[nH+]cn2C)ccc1C#N ZINC001093750028 841448233 /nfs/dbraw/zinc/44/82/33/841448233.db2.gz HVLMGLFJZGDRAR-UHFFFAOYSA-N 1 2 298.350 0.766 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C)nn2)C1 ZINC001094270895 841577357 /nfs/dbraw/zinc/57/73/57/841577357.db2.gz JHEHFSNNKWMJFC-FZMZJTMJSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccncc3)nn2)C1 ZINC001094269952 841577434 /nfs/dbraw/zinc/57/74/34/841577434.db2.gz ALCLOSYBNMVTEQ-UHFFFAOYSA-N 1 2 298.350 0.646 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNc1[nH+]cnc2c1cnn2C ZINC001094341786 841610353 /nfs/dbraw/zinc/61/03/53/841610353.db2.gz DQKRYDVWQJVDKW-SECBINFHSA-N 1 2 287.327 0.441 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172150390 841862936 /nfs/dbraw/zinc/86/29/36/841862936.db2.gz NPZXCVJPOXTKAO-BBBLOLIVSA-N 1 2 272.370 0.201 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670014 841954282 /nfs/dbraw/zinc/95/42/82/841954282.db2.gz NWJZADYWIKIEOU-HZPDHXFCSA-N 1 2 298.390 0.975 20 30 CCEDLO COC(=O)CCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001173451715 842088025 /nfs/dbraw/zinc/08/80/25/842088025.db2.gz RDSSCEHJCRLXJW-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCO[C@@H](C#N)C3)cc2C1 ZINC001175077444 842228588 /nfs/dbraw/zinc/22/85/88/842228588.db2.gz OCSDDHWJMUBRKA-LBPRGKRZSA-N 1 2 289.339 0.083 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)N3CCO[C@@H](C#N)C3)cc2C1 ZINC001175077444 842228598 /nfs/dbraw/zinc/22/85/98/842228598.db2.gz OCSDDHWJMUBRKA-LBPRGKRZSA-N 1 2 289.339 0.083 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C#N)C1 ZINC001176356356 842363875 /nfs/dbraw/zinc/36/38/75/842363875.db2.gz ZWBQFWCARKMXBB-WCQYABFASA-N 1 2 289.339 0.219 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C#N)C1 ZINC001176356356 842363890 /nfs/dbraw/zinc/36/38/90/842363890.db2.gz ZWBQFWCARKMXBB-WCQYABFASA-N 1 2 289.339 0.219 20 30 CCEDLO N#Cc1cnn2c1ncc(C#N)c2NC(=O)Cc1c[nH]c[nH+]1 ZINC001176828119 842414628 /nfs/dbraw/zinc/41/46/28/842414628.db2.gz YURIGDHGXIWHSV-UHFFFAOYSA-N 1 2 292.262 0.377 20 30 CCEDLO C=C[C@@H]1C[C@]1(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001176836999 842423930 /nfs/dbraw/zinc/42/39/30/842423930.db2.gz VTQWDMFPJCXBIP-NOZJJQNGSA-N 1 2 263.297 0.576 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019800 842486100 /nfs/dbraw/zinc/48/61/00/842486100.db2.gz SAGRARQKJCEGPR-CVEARBPZSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019800 842486103 /nfs/dbraw/zinc/48/61/03/842486103.db2.gz SAGRARQKJCEGPR-CVEARBPZSA-N 1 2 288.391 0.971 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177163043 842514100 /nfs/dbraw/zinc/51/41/00/842514100.db2.gz QTGLLHZQYYHXRT-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177163043 842514105 /nfs/dbraw/zinc/51/41/05/842514105.db2.gz QTGLLHZQYYHXRT-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO CN(CC(=O)Nc1nnccc1C#N)c1cccc[nH+]1 ZINC001177409898 842582920 /nfs/dbraw/zinc/58/29/20/842582920.db2.gz SPTUDYDCUAFCGA-UHFFFAOYSA-N 1 2 268.280 0.818 20 30 CCEDLO CN(CC(=O)Nc1cnc(C#N)cn1)c1cccc[nH+]1 ZINC001177409763 842583258 /nfs/dbraw/zinc/58/32/58/842583258.db2.gz ZPYIARXJXGCMMR-UHFFFAOYSA-N 1 2 268.280 0.818 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(O)cn2)C1 ZINC001177759998 842667936 /nfs/dbraw/zinc/66/79/36/842667936.db2.gz WDOQHQHPNVMYDL-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(O)cn2)C1 ZINC001177759998 842667940 /nfs/dbraw/zinc/66/79/40/842667940.db2.gz WDOQHQHPNVMYDL-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C#Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)ccn1 ZINC001178101374 842757082 /nfs/dbraw/zinc/75/70/82/842757082.db2.gz WVDRAPNLQFVQBD-NSHDSACASA-N 1 2 266.304 0.882 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001178324653 842824232 /nfs/dbraw/zinc/82/42/32/842824232.db2.gz VTGJGTSFZLKLIF-QWRGUYRKSA-N 1 2 278.360 0.255 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCN(C)C(C)=O)CC1 ZINC001180225887 843119724 /nfs/dbraw/zinc/11/97/24/843119724.db2.gz YDCVQAUJNWYZPR-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccccc2)C1 ZINC001180756174 843276087 /nfs/dbraw/zinc/27/60/87/843276087.db2.gz WITHQZGJTPHTCA-QWHCGFSZSA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccccc2)C1 ZINC001180756174 843276100 /nfs/dbraw/zinc/27/61/00/843276100.db2.gz WITHQZGJTPHTCA-QWHCGFSZSA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C#N)cc2O)C1 ZINC001180761818 843293806 /nfs/dbraw/zinc/29/38/06/843293806.db2.gz OZRSSWGJQCXXCB-GFCCVEGCSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C#N)cc2O)C1 ZINC001180761818 843293798 /nfs/dbraw/zinc/29/37/98/843293798.db2.gz OZRSSWGJQCXXCB-GFCCVEGCSA-N 1 2 261.281 0.533 20 30 CCEDLO N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001181097132 843399319 /nfs/dbraw/zinc/39/93/19/843399319.db2.gz IJOWFLRUPUSVAU-SECBINFHSA-N 1 2 297.409 0.485 20 30 CCEDLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394653 844735336 /nfs/dbraw/zinc/73/53/36/844735336.db2.gz IIASYYBOSPYJGY-LOWDOPEQSA-N 1 2 292.383 0.394 20 30 CCEDLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394653 844735337 /nfs/dbraw/zinc/73/53/37/844735337.db2.gz IIASYYBOSPYJGY-LOWDOPEQSA-N 1 2 292.383 0.394 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001188301474 844871238 /nfs/dbraw/zinc/87/12/38/844871238.db2.gz FCKVTXJSSFGXRS-WDEREUQCSA-N 1 2 296.396 0.820 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CCCF)CC1 ZINC001189945703 845296914 /nfs/dbraw/zinc/29/69/14/845296914.db2.gz OFFGQCFAQWXIOH-UHFFFAOYSA-N 1 2 263.338 0.253 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110429996 845440722 /nfs/dbraw/zinc/44/07/22/845440722.db2.gz ZZUHBCUKWRUFHG-UTUOFQBUSA-N 1 2 273.340 0.092 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110429996 845440730 /nfs/dbraw/zinc/44/07/30/845440730.db2.gz ZZUHBCUKWRUFHG-UTUOFQBUSA-N 1 2 273.340 0.092 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001190983514 845558592 /nfs/dbraw/zinc/55/85/92/845558592.db2.gz MYMAARRDVKDNLS-RBSFLKMASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001190983514 845558596 /nfs/dbraw/zinc/55/85/96/845558596.db2.gz MYMAARRDVKDNLS-RBSFLKMASA-N 1 2 292.379 0.154 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191162503 845598484 /nfs/dbraw/zinc/59/84/84/845598484.db2.gz WDAMHTSRTSCFFJ-HBNTYKKESA-N 1 2 289.376 0.153 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191162503 845598494 /nfs/dbraw/zinc/59/84/94/845598494.db2.gz WDAMHTSRTSCFFJ-HBNTYKKESA-N 1 2 289.376 0.153 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC001191548636 845687909 /nfs/dbraw/zinc/68/79/09/845687909.db2.gz ZPHVDNHVQBFXBP-UHFFFAOYSA-N 1 2 256.309 0.897 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191755841 845732215 /nfs/dbraw/zinc/73/22/15/845732215.db2.gz NLFXBBAEPBUXHA-YIZUVKHSSA-N 1 2 274.748 0.103 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191755841 845732217 /nfs/dbraw/zinc/73/22/17/845732217.db2.gz NLFXBBAEPBUXHA-YIZUVKHSSA-N 1 2 274.748 0.103 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001192420385 845840291 /nfs/dbraw/zinc/84/02/91/845840291.db2.gz QODUPXRTIPSKFY-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001192420385 845840298 /nfs/dbraw/zinc/84/02/98/845840298.db2.gz QODUPXRTIPSKFY-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO CCN(CCn1cc[nH+]c1)S(=O)(=O)[C@@H](C)C#N ZINC001193139101 846003499 /nfs/dbraw/zinc/00/34/99/846003499.db2.gz YWZKRIQFJYWSID-JTQLQIEISA-N 1 2 256.331 0.447 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110459402 846087939 /nfs/dbraw/zinc/08/79/39/846087939.db2.gz JAEONNFJKCEWIR-UPJWGTAASA-N 1 2 277.368 0.387 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110459402 846087944 /nfs/dbraw/zinc/08/79/44/846087944.db2.gz JAEONNFJKCEWIR-UPJWGTAASA-N 1 2 277.368 0.387 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc(C)on2)CC1 ZINC001194732797 846362449 /nfs/dbraw/zinc/36/24/49/846362449.db2.gz LZPWUCNLNUIBSL-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc(C)on2)CC1 ZINC001194732797 846362459 /nfs/dbraw/zinc/36/24/59/846362459.db2.gz LZPWUCNLNUIBSL-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194739019 846366352 /nfs/dbraw/zinc/36/63/52/846366352.db2.gz HUTWBXMYKFYVRH-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194739019 846366360 /nfs/dbraw/zinc/36/63/60/846366360.db2.gz HUTWBXMYKFYVRH-LBPRGKRZSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001194892740 846418925 /nfs/dbraw/zinc/41/89/25/846418925.db2.gz GTUGPSPQANIMMM-OPRDCNLKSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001194892740 846418929 /nfs/dbraw/zinc/41/89/29/846418929.db2.gz GTUGPSPQANIMMM-OPRDCNLKSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001194996819 846437234 /nfs/dbraw/zinc/43/72/34/846437234.db2.gz IOKJDNHLISWTJP-NFAWXSAZSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001194996819 846437239 /nfs/dbraw/zinc/43/72/39/846437239.db2.gz IOKJDNHLISWTJP-NFAWXSAZSA-N 1 2 280.368 0.010 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCCOC)CC1 ZINC001194999670 846437255 /nfs/dbraw/zinc/43/72/55/846437255.db2.gz MHGYXMYIXCKIMM-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCOC)CC1 ZINC001194999670 846437262 /nfs/dbraw/zinc/43/72/62/846437262.db2.gz MHGYXMYIXCKIMM-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC001195233533 846477097 /nfs/dbraw/zinc/47/70/97/846477097.db2.gz WHPRBCNHLHGAIC-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC001195233533 846477099 /nfs/dbraw/zinc/47/70/99/846477099.db2.gz WHPRBCNHLHGAIC-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC001195393591 846528472 /nfs/dbraw/zinc/52/84/72/846528472.db2.gz AFHARSQVAYSMRR-UHFFFAOYSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC001195393591 846528481 /nfs/dbraw/zinc/52/84/81/846528481.db2.gz AFHARSQVAYSMRR-UHFFFAOYSA-N 1 2 291.395 0.789 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195567700 846584697 /nfs/dbraw/zinc/58/46/97/846584697.db2.gz RHXVQSGDGJRWEK-QJPTWQEYSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195567700 846584698 /nfs/dbraw/zinc/58/46/98/846584698.db2.gz RHXVQSGDGJRWEK-QJPTWQEYSA-N 1 2 258.337 0.720 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001195732807 846603892 /nfs/dbraw/zinc/60/38/92/846603892.db2.gz KNTUXGVTSJMUQN-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001195732807 846603903 /nfs/dbraw/zinc/60/39/03/846603903.db2.gz KNTUXGVTSJMUQN-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001195732807 846603906 /nfs/dbraw/zinc/60/39/06/846603906.db2.gz KNTUXGVTSJMUQN-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001195775273 846622904 /nfs/dbraw/zinc/62/29/04/846622904.db2.gz UDFRVGJYKVMDIX-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001195775273 846622908 /nfs/dbraw/zinc/62/29/08/846622908.db2.gz UDFRVGJYKVMDIX-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO N#Cc1ccc(Cl)nc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006351 846782715 /nfs/dbraw/zinc/78/27/15/846782715.db2.gz FNFPNBLCSJXUBR-NSHDSACASA-N 1 2 296.758 0.712 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196855257 846810522 /nfs/dbraw/zinc/81/05/22/846810522.db2.gz ZKLLEUFIGJMZPN-CHWSQXEVSA-N 1 2 281.400 0.725 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196855257 846810527 /nfs/dbraw/zinc/81/05/27/846810527.db2.gz ZKLLEUFIGJMZPN-CHWSQXEVSA-N 1 2 281.400 0.725 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197255370 846887941 /nfs/dbraw/zinc/88/79/41/846887941.db2.gz SHVMAZLZKJGDPN-ZDUSSCGKSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197255370 846887944 /nfs/dbraw/zinc/88/79/44/846887944.db2.gz SHVMAZLZKJGDPN-ZDUSSCGKSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC001197427841 846909130 /nfs/dbraw/zinc/90/91/30/846909130.db2.gz OCKAACWMIAIWMX-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC001197427841 846909136 /nfs/dbraw/zinc/90/91/36/846909136.db2.gz OCKAACWMIAIWMX-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001198871293 847192262 /nfs/dbraw/zinc/19/22/62/847192262.db2.gz XDCNETABBVKBNC-NUEKZKHPSA-N 1 2 286.375 0.660 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001198871293 847192265 /nfs/dbraw/zinc/19/22/65/847192265.db2.gz XDCNETABBVKBNC-NUEKZKHPSA-N 1 2 286.375 0.660 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001152531775 847211398 /nfs/dbraw/zinc/21/13/98/847211398.db2.gz AAMLENBFYHOUDU-UHFFFAOYSA-N 1 2 258.281 0.595 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273891024 847754096 /nfs/dbraw/zinc/75/40/96/847754096.db2.gz HIJGMHKJPWLFKD-KWCYVHTRSA-N 1 2 286.322 0.211 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273891024 847754101 /nfs/dbraw/zinc/75/41/01/847754101.db2.gz HIJGMHKJPWLFKD-KWCYVHTRSA-N 1 2 286.322 0.211 20 30 CCEDLO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482513 847788388 /nfs/dbraw/zinc/78/83/88/847788388.db2.gz JEIWQRZZTALOBT-AWEZNQCLSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110608622 847919178 /nfs/dbraw/zinc/91/91/78/847919178.db2.gz XNZMQXAIHFAUFT-UTUOFQBUSA-N 1 2 265.357 0.550 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110608622 847919191 /nfs/dbraw/zinc/91/91/91/847919191.db2.gz XNZMQXAIHFAUFT-UTUOFQBUSA-N 1 2 265.357 0.550 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001274018318 848305924 /nfs/dbraw/zinc/30/59/24/848305924.db2.gz ZVOSTRIWYSCCOI-ZFDPJTLLSA-N 1 2 288.351 0.277 20 30 CCEDLO CCNC(=O)CNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031688 848311792 /nfs/dbraw/zinc/31/17/92/848311792.db2.gz XOZISRWPUHUDLX-GFCCVEGCSA-N 1 2 292.383 0.254 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(Cc3c[nH+]c(C)[nH]3)C[C@@]2(F)C1=O ZINC001274576659 848509902 /nfs/dbraw/zinc/50/99/02/848509902.db2.gz PEHMQCKZYNSMFG-UONOGXRCSA-N 1 2 294.305 0.426 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(Cc3c[nH]c(C)[nH+]3)C[C@@]2(F)C1=O ZINC001274576659 848509910 /nfs/dbraw/zinc/50/99/10/848509910.db2.gz PEHMQCKZYNSMFG-UONOGXRCSA-N 1 2 294.305 0.426 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001274615146 848523735 /nfs/dbraw/zinc/52/37/35/848523735.db2.gz QMDYGDIQWZQADI-OAHLLOKOSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@H](O)CCC)C2)OCC1=O ZINC001274631539 848527652 /nfs/dbraw/zinc/52/76/52/848527652.db2.gz RWMUXLCGXJIKJT-GFCCVEGCSA-N 1 2 268.357 0.247 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@@H](O)CCC)C2)OCC1=O ZINC001274635499 848528206 /nfs/dbraw/zinc/52/82/06/848528206.db2.gz MGWMMNHGNRDOBD-ZDUSSCGKSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+][C@H](C)c1csnn1 ZINC001274701619 848546368 /nfs/dbraw/zinc/54/63/68/848546368.db2.gz MELYLSMQBHFXIH-NXEZZACHSA-N 1 2 284.385 0.896 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(C#N)nc2)c1 ZINC001275173716 848656786 /nfs/dbraw/zinc/65/67/86/848656786.db2.gz GQJUZHMRLZKXMR-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C[C@H](NC(=O)CSCC#N)[C@H](C)[NH2+]Cc1cnsn1 ZINC001275355032 848698033 /nfs/dbraw/zinc/69/80/33/848698033.db2.gz JFPSSGSUDIESKP-IUCAKERBSA-N 1 2 299.425 0.778 20 30 CCEDLO C=CCC1(O)CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000717864906 848723038 /nfs/dbraw/zinc/72/30/38/848723038.db2.gz CYMJLGXPEAWYNN-UHFFFAOYSA-N 1 2 264.329 0.975 20 30 CCEDLO C=CCC1(O)CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000717864906 848723042 /nfs/dbraw/zinc/72/30/42/848723042.db2.gz CYMJLGXPEAWYNN-UHFFFAOYSA-N 1 2 264.329 0.975 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001275558547 848761532 /nfs/dbraw/zinc/76/15/32/848761532.db2.gz DKEPECFFMSBCQK-STQMWFEESA-N 1 2 293.367 0.958 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001275558547 848761534 /nfs/dbraw/zinc/76/15/34/848761534.db2.gz DKEPECFFMSBCQK-STQMWFEESA-N 1 2 293.367 0.958 20 30 CCEDLO C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)N(C)CC#N ZINC001275865134 848849808 /nfs/dbraw/zinc/84/98/08/848849808.db2.gz FTJDIGFXQZWNCN-RYUDHWBXSA-N 1 2 275.356 0.406 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095638485 849003471 /nfs/dbraw/zinc/00/34/71/849003471.db2.gz RUVUCOCHFGYYIX-MQYQWHSLSA-N 1 2 299.378 0.691 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111727916 849032119 /nfs/dbraw/zinc/03/21/19/849032119.db2.gz OYIXYVKSDSUSHA-WFASDCNBSA-N 1 2 287.367 0.837 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966072 849034227 /nfs/dbraw/zinc/03/42/27/849034227.db2.gz VLQMAWYGUBJVKY-MXWKQRLJSA-N 1 2 297.786 0.726 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966072 849034234 /nfs/dbraw/zinc/03/42/34/849034234.db2.gz VLQMAWYGUBJVKY-MXWKQRLJSA-N 1 2 297.786 0.726 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001095746718 849133325 /nfs/dbraw/zinc/13/33/25/849133325.db2.gz YTSPJVOABBZPNH-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001037965639 849613567 /nfs/dbraw/zinc/61/35/67/849613567.db2.gz KMHGMDUDHHFYHG-GXTWGEPZSA-N 1 2 289.383 0.703 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038637783 849765209 /nfs/dbraw/zinc/76/52/09/849765209.db2.gz DSUNRIOACXFQFP-NWDGAFQWSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038637783 849765212 /nfs/dbraw/zinc/76/52/12/849765212.db2.gz DSUNRIOACXFQFP-NWDGAFQWSA-N 1 2 289.383 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316843 849847921 /nfs/dbraw/zinc/84/79/21/849847921.db2.gz YKGAQTJMOPPHRG-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316843 849847925 /nfs/dbraw/zinc/84/79/25/849847925.db2.gz YKGAQTJMOPPHRG-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001038338910 849857059 /nfs/dbraw/zinc/85/70/59/849857059.db2.gz DTRZLXPJJXQCRY-SNVBAGLBSA-N 1 2 299.334 0.111 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001038338910 849857069 /nfs/dbraw/zinc/85/70/69/849857069.db2.gz DTRZLXPJJXQCRY-SNVBAGLBSA-N 1 2 299.334 0.111 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001038345000 849860167 /nfs/dbraw/zinc/86/01/67/849860167.db2.gz LNLHAJZBHFHIDQ-SWLSCSKDSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001038345000 849860177 /nfs/dbraw/zinc/86/01/77/849860177.db2.gz LNLHAJZBHFHIDQ-SWLSCSKDSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038493593 849919706 /nfs/dbraw/zinc/91/97/06/849919706.db2.gz RRIRVVKLRILGJB-ZDUSSCGKSA-N 1 2 272.352 0.839 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038493593 849919712 /nfs/dbraw/zinc/91/97/12/849919712.db2.gz RRIRVVKLRILGJB-ZDUSSCGKSA-N 1 2 272.352 0.839 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038501054 849922738 /nfs/dbraw/zinc/92/27/38/849922738.db2.gz QMKSVYLTSSQPPW-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038501054 849922745 /nfs/dbraw/zinc/92/27/45/849922745.db2.gz QMKSVYLTSSQPPW-NSHDSACASA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038570873 849947091 /nfs/dbraw/zinc/94/70/91/849947091.db2.gz CKBCQQXOKIMASX-LBPRGKRZSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038570873 849947098 /nfs/dbraw/zinc/94/70/98/849947098.db2.gz CKBCQQXOKIMASX-LBPRGKRZSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038683008 849981063 /nfs/dbraw/zinc/98/10/63/849981063.db2.gz GVQNESGVRZMDEO-QMMMGPOBSA-N 1 2 268.267 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038683008 849981065 /nfs/dbraw/zinc/98/10/65/849981065.db2.gz GVQNESGVRZMDEO-QMMMGPOBSA-N 1 2 268.267 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001038773066 850011342 /nfs/dbraw/zinc/01/13/42/850011342.db2.gz GVUNVTNOECSGDK-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001038773066 850011347 /nfs/dbraw/zinc/01/13/47/850011347.db2.gz GVUNVTNOECSGDK-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(NC(C)=O)c1 ZINC001038839414 850038319 /nfs/dbraw/zinc/03/83/19/850038319.db2.gz YDOIPILCPNBTPV-CYBMUJFWSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(NC(C)=O)c1 ZINC001038839414 850038324 /nfs/dbraw/zinc/03/83/24/850038324.db2.gz YDOIPILCPNBTPV-CYBMUJFWSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038852682 850049971 /nfs/dbraw/zinc/04/99/71/850049971.db2.gz BKMLPKBSPWSUNB-CQSZACIVSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038852682 850049978 /nfs/dbraw/zinc/04/99/78/850049978.db2.gz BKMLPKBSPWSUNB-CQSZACIVSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039029963 850130472 /nfs/dbraw/zinc/13/04/72/850130472.db2.gz WZTZTKGWJBMNND-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039029963 850130478 /nfs/dbraw/zinc/13/04/78/850130478.db2.gz WZTZTKGWJBMNND-LBPRGKRZSA-N 1 2 274.368 0.981 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1COCC2 ZINC001039037250 850132636 /nfs/dbraw/zinc/13/26/36/850132636.db2.gz XPNNQYKXFQKZAX-SNVBAGLBSA-N 1 2 277.324 0.737 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1COCC2 ZINC001039037250 850132638 /nfs/dbraw/zinc/13/26/38/850132638.db2.gz XPNNQYKXFQKZAX-SNVBAGLBSA-N 1 2 277.324 0.737 20 30 CCEDLO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001041778887 850500031 /nfs/dbraw/zinc/50/00/31/850500031.db2.gz HSEJFBHAWDULJR-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001041778887 850500037 /nfs/dbraw/zinc/50/00/37/850500037.db2.gz HSEJFBHAWDULJR-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628913 850717176 /nfs/dbraw/zinc/71/71/76/850717176.db2.gz PERCJKLLWBGPDX-SECBINFHSA-N 1 2 262.313 0.023 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001042660563 850726340 /nfs/dbraw/zinc/72/63/40/850726340.db2.gz PNTFRSTXVACMDL-UHFFFAOYSA-N 1 2 265.313 0.311 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001042891734 850774336 /nfs/dbraw/zinc/77/43/36/850774336.db2.gz GIWCFOWEEPUTSG-LBPRGKRZSA-N 1 2 286.379 0.910 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001043028244 850800753 /nfs/dbraw/zinc/80/07/53/850800753.db2.gz VUAYFHFCAVAPAP-UHFFFAOYSA-N 1 2 298.350 0.212 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001043380622 850863604 /nfs/dbraw/zinc/86/36/04/850863604.db2.gz NQBYWWWPVJFNPC-GFCCVEGCSA-N 1 2 289.383 0.559 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001043641996 850915419 /nfs/dbraw/zinc/91/54/19/850915419.db2.gz LDEJQKWMFZJHIM-CYBMUJFWSA-N 1 2 254.305 0.281 20 30 CCEDLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095953277 850923696 /nfs/dbraw/zinc/92/36/96/850923696.db2.gz VASVXQUUZNHUIX-ILXRZTDVSA-N 1 2 297.358 0.245 20 30 CCEDLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095953277 850923700 /nfs/dbraw/zinc/92/37/00/850923700.db2.gz VASVXQUUZNHUIX-ILXRZTDVSA-N 1 2 297.358 0.245 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001043788282 850936038 /nfs/dbraw/zinc/93/60/38/850936038.db2.gz LPQWYPLSQOIXTI-AAEUAGOBSA-N 1 2 252.358 0.988 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001043997828 850981938 /nfs/dbraw/zinc/98/19/38/850981938.db2.gz KRWUABMFUQUUFJ-NWDGAFQWSA-N 1 2 279.384 0.607 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001044041858 850991106 /nfs/dbraw/zinc/99/11/06/850991106.db2.gz OFIHXILAMIAXGW-UHFFFAOYSA-N 1 2 287.323 0.377 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001044195091 851039661 /nfs/dbraw/zinc/03/96/61/851039661.db2.gz OCERHEZKEPMNDU-UHFFFAOYSA-N 1 2 277.324 0.738 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046151111 851398803 /nfs/dbraw/zinc/39/88/03/851398803.db2.gz CUYIJDDHJBAIDU-AAEUAGOBSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046151111 851398808 /nfs/dbraw/zinc/39/88/08/851398808.db2.gz CUYIJDDHJBAIDU-AAEUAGOBSA-N 1 2 288.775 0.735 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN(CC#N)C1 ZINC001046434697 851501684 /nfs/dbraw/zinc/50/16/84/851501684.db2.gz QJPZZOLGFLFZNC-DOMZBBRYSA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046460043 851515451 /nfs/dbraw/zinc/51/54/51/851515451.db2.gz BSXSZSOFIJJQEQ-TZMCWYRMSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046460043 851515462 /nfs/dbraw/zinc/51/54/62/851515462.db2.gz BSXSZSOFIJJQEQ-TZMCWYRMSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001047563675 851818163 /nfs/dbraw/zinc/81/81/63/851818163.db2.gz QFNWEPLQUGNPFZ-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001047563675 851818157 /nfs/dbraw/zinc/81/81/57/851818157.db2.gz QFNWEPLQUGNPFZ-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691007 852351690 /nfs/dbraw/zinc/35/16/90/852351690.db2.gz JRWJHBHQQLLEMU-VHSXEESVSA-N 1 2 271.748 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691007 852351703 /nfs/dbraw/zinc/35/17/03/852351703.db2.gz JRWJHBHQQLLEMU-VHSXEESVSA-N 1 2 271.748 0.290 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844894 852382818 /nfs/dbraw/zinc/38/28/18/852382818.db2.gz VNYTYXWJSLIPMS-CHWSQXEVSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049844894 852382823 /nfs/dbraw/zinc/38/28/23/852382823.db2.gz VNYTYXWJSLIPMS-CHWSQXEVSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001097320674 852527686 /nfs/dbraw/zinc/52/76/86/852527686.db2.gz HCUVCBXMHAAXGW-ARILJUKYSA-N 1 2 291.395 0.060 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001097320674 852527689 /nfs/dbraw/zinc/52/76/89/852527689.db2.gz HCUVCBXMHAAXGW-ARILJUKYSA-N 1 2 291.395 0.060 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)ccc1=O)C2 ZINC001097507777 852544218 /nfs/dbraw/zinc/54/42/18/852544218.db2.gz KHHXZULIVZKUPI-BNOWGMLFSA-N 1 2 285.347 0.354 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)ccc1=O)C2 ZINC001097507777 852544220 /nfs/dbraw/zinc/54/42/20/852544220.db2.gz KHHXZULIVZKUPI-BNOWGMLFSA-N 1 2 285.347 0.354 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C1CC1)CCO2 ZINC001053238654 852717756 /nfs/dbraw/zinc/71/77/56/852717756.db2.gz ZPGNJOIQEJAHNK-CQSZACIVSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053244792 852718445 /nfs/dbraw/zinc/71/84/45/852718445.db2.gz OBVUNGTWHRIQOQ-UHFFFAOYSA-N 1 2 274.364 0.889 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cnoc1)CCO2 ZINC001053388748 852736094 /nfs/dbraw/zinc/73/60/94/852736094.db2.gz ASUNHFMKUGFQHU-UHFFFAOYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCOCC1)O2 ZINC001053562164 852760858 /nfs/dbraw/zinc/76/08/58/852760858.db2.gz VYFVEAOYYBPGKW-CQSZACIVSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnon1)O2 ZINC001053684010 852775937 /nfs/dbraw/zinc/77/59/37/852775937.db2.gz JWBANCQEJOPBIV-NSHDSACASA-N 1 2 292.339 0.609 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]cnc1C)O2 ZINC001053702321 852777953 /nfs/dbraw/zinc/77/79/53/852777953.db2.gz USQSCRHYQVTMJL-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCOC1)CO2 ZINC001053755485 852806324 /nfs/dbraw/zinc/80/63/24/852806324.db2.gz GDPGKSINRQFNAL-KGLIPLIRSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(C)c1)CO2 ZINC001053776511 852816965 /nfs/dbraw/zinc/81/69/65/852816965.db2.gz ZPOJVHUNJCJMPP-CQSZACIVSA-N 1 2 287.363 0.622 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053781958 852818136 /nfs/dbraw/zinc/81/81/36/852818136.db2.gz ZFVNKRCNHZPCLQ-CYBMUJFWSA-N 1 2 298.346 0.483 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc[nH]1)CO2 ZINC001053797910 852825060 /nfs/dbraw/zinc/82/50/60/852825060.db2.gz KWIXDVKXWISVEP-NSHDSACASA-N 1 2 274.324 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1COC3)CO2 ZINC001053807916 852826822 /nfs/dbraw/zinc/82/68/22/852826822.db2.gz SNDLSLRPQDLDCT-XEZPLFJOSA-N 1 2 290.363 0.006 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](CCOC)C3)C2)C1 ZINC001053916590 852845728 /nfs/dbraw/zinc/84/57/28/852845728.db2.gz NKEPXXYIHQWSOG-ZDUSSCGKSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCOC1)CO2 ZINC001053967270 852858430 /nfs/dbraw/zinc/85/84/30/852858430.db2.gz UXNXHHZWUMHPLL-DZGCQCFKSA-N 1 2 294.395 0.949 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)cn1 ZINC001053984646 852864804 /nfs/dbraw/zinc/86/48/04/852864804.db2.gz CBWNPYOIDXAZHS-AWEZNQCLSA-N 1 2 285.347 0.656 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001054636214 852986305 /nfs/dbraw/zinc/98/63/05/852986305.db2.gz JOCMPPRJKCGOTH-MFKMUULPSA-N 1 2 288.351 0.728 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001050181224 853330688 /nfs/dbraw/zinc/33/06/88/853330688.db2.gz GNVVIEFJFZJKCJ-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001050181224 853330692 /nfs/dbraw/zinc/33/06/92/853330692.db2.gz GNVVIEFJFZJKCJ-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1cnon1)CC2 ZINC001050464502 853379183 /nfs/dbraw/zinc/37/91/83/853379183.db2.gz SPYDSVZCOWULPB-NSHDSACASA-N 1 2 289.339 0.654 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001050804697 853441182 /nfs/dbraw/zinc/44/11/82/853441182.db2.gz BDHHXSSORQXYGJ-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001050804697 853441186 /nfs/dbraw/zinc/44/11/86/853441186.db2.gz BDHHXSSORQXYGJ-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001050872526 853468957 /nfs/dbraw/zinc/46/89/57/853468957.db2.gz DRWSKOAVBHAWJY-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001050872526 853468963 /nfs/dbraw/zinc/46/89/63/853468963.db2.gz DRWSKOAVBHAWJY-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)[nH]1 ZINC001050879248 853472846 /nfs/dbraw/zinc/47/28/46/853472846.db2.gz KSCBXMHKHWZJGI-CYBMUJFWSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)[nH]1 ZINC001050879248 853472839 /nfs/dbraw/zinc/47/28/39/853472839.db2.gz KSCBXMHKHWZJGI-CYBMUJFWSA-N 1 2 288.351 0.727 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001050879850 853473132 /nfs/dbraw/zinc/47/31/32/853473132.db2.gz JDBMWGMZCAKVHF-CQSZACIVSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001050879850 853473134 /nfs/dbraw/zinc/47/31/34/853473134.db2.gz JDBMWGMZCAKVHF-CQSZACIVSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001051124684 853529039 /nfs/dbraw/zinc/52/90/39/853529039.db2.gz RSZICMKVKHBUSX-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001051124684 853529050 /nfs/dbraw/zinc/52/90/50/853529050.db2.gz RSZICMKVKHBUSX-KFWWJZLASA-N 1 2 294.395 0.971 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC001051171659 853538038 /nfs/dbraw/zinc/53/80/38/853538038.db2.gz YWTLMUOOCBKWDM-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC001051171659 853538046 /nfs/dbraw/zinc/53/80/46/853538046.db2.gz YWTLMUOOCBKWDM-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051970969 853667580 /nfs/dbraw/zinc/66/75/80/853667580.db2.gz CKNDUTYVXNCTKM-CYBMUJFWSA-N 1 2 288.351 0.635 20 30 CCEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051977934 853668526 /nfs/dbraw/zinc/66/85/26/853668526.db2.gz KBNWFCNRXMTBND-AWEZNQCLSA-N 1 2 295.452 0.591 20 30 CCEDLO CC#CC[NH+]1CC2(C1)CN(C(C)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070436884 854058927 /nfs/dbraw/zinc/05/89/27/854058927.db2.gz FRINVQKOOGMAHF-ZDUSSCGKSA-N 1 2 287.367 0.384 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC(C)C2)CC1 ZINC001070952660 854108045 /nfs/dbraw/zinc/10/80/45/854108045.db2.gz BSBMROHADPIGBM-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2CC(C)C2)CC1 ZINC001070952660 854108048 /nfs/dbraw/zinc/10/80/48/854108048.db2.gz BSBMROHADPIGBM-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001071509191 854226783 /nfs/dbraw/zinc/22/67/83/854226783.db2.gz ZJQBGUOTAQDEIM-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001071509191 854226787 /nfs/dbraw/zinc/22/67/87/854226787.db2.gz ZJQBGUOTAQDEIM-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071731426 854272832 /nfs/dbraw/zinc/27/28/32/854272832.db2.gz DGQSYDCUYGGFIH-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071731426 854272837 /nfs/dbraw/zinc/27/28/37/854272837.db2.gz DGQSYDCUYGGFIH-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO C=CCCC(=O)N1C[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001071778330 854287270 /nfs/dbraw/zinc/28/72/70/854287270.db2.gz SHDWPBSVJQMBIP-STQMWFEESA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CN1CC#N ZINC001071990379 854331236 /nfs/dbraw/zinc/33/12/36/854331236.db2.gz ZBQLIESCXJXWTI-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001072552999 854414006 /nfs/dbraw/zinc/41/40/06/854414006.db2.gz URBCZYZHAVSOAV-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001072552999 854414008 /nfs/dbraw/zinc/41/40/08/854414008.db2.gz URBCZYZHAVSOAV-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229939 854700330 /nfs/dbraw/zinc/70/03/30/854700330.db2.gz PYLYAXMOZCYNFC-KBPBESRZSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229939 854700337 /nfs/dbraw/zinc/70/03/37/854700337.db2.gz PYLYAXMOZCYNFC-KBPBESRZSA-N 1 2 294.395 0.472 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC001074236047 854703203 /nfs/dbraw/zinc/70/32/03/854703203.db2.gz LRZYTGIAANORPC-CHWSQXEVSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC001074236047 854703206 /nfs/dbraw/zinc/70/32/06/854703206.db2.gz LRZYTGIAANORPC-CHWSQXEVSA-N 1 2 288.351 0.348 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001074285368 854707188 /nfs/dbraw/zinc/70/71/88/854707188.db2.gz ZKRYTIOSVAUMMY-OLZOCXBDSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001074285368 854707195 /nfs/dbraw/zinc/70/71/95/854707195.db2.gz ZKRYTIOSVAUMMY-OLZOCXBDSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001074362363 854715462 /nfs/dbraw/zinc/71/54/62/854715462.db2.gz CNDLTRNMJZQWOG-OLZOCXBDSA-N 1 2 292.339 0.561 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001074362363 854715465 /nfs/dbraw/zinc/71/54/65/854715465.db2.gz CNDLTRNMJZQWOG-OLZOCXBDSA-N 1 2 292.339 0.561 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098598688 854872893 /nfs/dbraw/zinc/87/28/93/854872893.db2.gz JCVQKGBQCDHCRN-AWEZNQCLSA-N 1 2 289.383 0.965 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](F)CC)C2)nn1 ZINC001098698695 854876618 /nfs/dbraw/zinc/87/66/18/854876618.db2.gz XGKPGEOLCNBLRA-STQMWFEESA-N 1 2 293.346 0.522 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 ZINC001099121989 854916549 /nfs/dbraw/zinc/91/65/49/854916549.db2.gz LGKKTPAWJALZOO-WFASDCNBSA-N 1 2 287.367 0.457 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001099261896 854924580 /nfs/dbraw/zinc/92/45/80/854924580.db2.gz MPLAALRXNTXVMK-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619949 854946982 /nfs/dbraw/zinc/94/69/82/854946982.db2.gz HDAISCJWBFLPGW-GHMZBOCLSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619949 854946985 /nfs/dbraw/zinc/94/69/85/854946985.db2.gz HDAISCJWBFLPGW-GHMZBOCLSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619952 854947565 /nfs/dbraw/zinc/94/75/65/854947565.db2.gz HDAISCJWBFLPGW-WDEREUQCSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOC)[C@H](O)C1 ZINC001099619952 854947570 /nfs/dbraw/zinc/94/75/70/854947570.db2.gz HDAISCJWBFLPGW-WDEREUQCSA-N 1 2 276.764 0.327 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1cnc(C#N)cn1 ZINC001100734502 855215733 /nfs/dbraw/zinc/21/57/33/855215733.db2.gz GQOIMUXVYOWMAR-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)OC)c1nccn12 ZINC001101612185 855325504 /nfs/dbraw/zinc/32/55/04/855325504.db2.gz RFKHZXVPEDDTCJ-NWDGAFQWSA-N 1 2 290.367 0.676 20 30 CCEDLO CN(CCNc1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001101672881 855340399 /nfs/dbraw/zinc/34/03/99/855340399.db2.gz KHIFFPUPVMYXCR-UHFFFAOYSA-N 1 2 284.323 0.720 20 30 CCEDLO CN(CCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975676 855402463 /nfs/dbraw/zinc/40/24/63/855402463.db2.gz NBIYLVDCLVKNLD-UHFFFAOYSA-N 1 2 284.323 0.789 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001103335096 855512865 /nfs/dbraw/zinc/51/28/65/855512865.db2.gz UTEBGFFJPZEDNH-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000697287600 855616878 /nfs/dbraw/zinc/61/68/78/855616878.db2.gz WXIXXRKDXRHIQG-KGLIPLIRSA-N 1 2 279.361 0.440 20 30 CCEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001115766576 855694792 /nfs/dbraw/zinc/69/47/92/855694792.db2.gz LFCNVLYCFVWSHE-GFCCVEGCSA-N 1 2 298.350 0.531 20 30 CCEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1cccn[nH+]1 ZINC001116094133 855718166 /nfs/dbraw/zinc/71/81/66/855718166.db2.gz CZHVTVIDMGPKHU-UHFFFAOYSA-N 1 2 260.257 0.822 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC001117054167 855900259 /nfs/dbraw/zinc/90/02/59/855900259.db2.gz OAEPJCZVJRVAHM-LBPRGKRZSA-N 1 2 290.367 0.812 20 30 CCEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC001119345137 856644102 /nfs/dbraw/zinc/64/41/02/856644102.db2.gz IWPTZBZYGSYLQV-MNOVXSKESA-N 1 2 251.334 0.814 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001119675944 856830418 /nfs/dbraw/zinc/83/04/18/856830418.db2.gz AWOOVPPAVCIYRY-CHWSQXEVSA-N 1 2 288.351 0.402 20 30 CCEDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)CC#N)C(C)(C)CO ZINC001119805710 856883908 /nfs/dbraw/zinc/88/39/08/856883908.db2.gz XSKWGUCSYSTRLA-GHMZBOCLSA-N 1 2 266.345 0.344 20 30 CCEDLO C=C(C)CN(C)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001120021244 856964120 /nfs/dbraw/zinc/96/41/20/856964120.db2.gz BBNWIKBVTQGWBS-UHFFFAOYSA-N 1 2 294.403 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCCC)NC(N)=O ZINC001323371864 912299077 /nfs/dbraw/zinc/29/90/77/912299077.db2.gz PBBYPHBLKPTADS-RYUDHWBXSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCCC)NC(N)=O ZINC001323371864 912299090 /nfs/dbraw/zinc/29/90/90/912299090.db2.gz PBBYPHBLKPTADS-RYUDHWBXSA-N 1 2 280.372 0.037 20 30 CCEDLO Cc1conc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001323405844 912330276 /nfs/dbraw/zinc/33/02/76/912330276.db2.gz KGHKISOUXMZNJN-VIFPVBQESA-N 1 2 262.313 0.881 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC001393597586 912670143 /nfs/dbraw/zinc/67/01/43/912670143.db2.gz HGVHISYELVVMET-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC001393597586 912670158 /nfs/dbraw/zinc/67/01/58/912670158.db2.gz HGVHISYELVVMET-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001324324243 912780886 /nfs/dbraw/zinc/78/08/86/912780886.db2.gz SOGRXANNVQUSNJ-UHFFFAOYSA-N 1 2 295.339 0.847 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001325217052 913289289 /nfs/dbraw/zinc/28/92/89/913289289.db2.gz KNNWDXWMNVXECF-QWHCGFSZSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001325232446 913292700 /nfs/dbraw/zinc/29/27/00/913292700.db2.gz ITJGPHWOWOMPCC-CYBMUJFWSA-N 1 2 276.380 0.753 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001325263031 913305645 /nfs/dbraw/zinc/30/56/45/913305645.db2.gz FAMJDZZWMUDNAT-ZDUSSCGKSA-N 1 2 282.384 0.378 20 30 CCEDLO C[C@@H]1CC[C@@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001480901009 891719907 /nfs/dbraw/zinc/71/99/07/891719907.db2.gz HVGTUFPKVRMVPA-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@@H]1CC[C@@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480901009 891719920 /nfs/dbraw/zinc/71/99/20/891719920.db2.gz HVGTUFPKVRMVPA-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001283606965 891945429 /nfs/dbraw/zinc/94/54/29/891945429.db2.gz YFOCGYNKXKCSAT-GWCFXTLKSA-N 1 2 298.412 0.802 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)o1 ZINC001419658562 891979960 /nfs/dbraw/zinc/97/99/60/891979960.db2.gz XTMQEWUMTRFVRY-VHSXEESVSA-N 1 2 279.344 0.728 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001481282949 892518823 /nfs/dbraw/zinc/51/88/23/892518823.db2.gz RVEPRCUGKSOOLA-MNOVXSKESA-N 1 2 296.396 0.677 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](CCCO)C2)CCOCC1 ZINC001481598389 892884937 /nfs/dbraw/zinc/88/49/37/892884937.db2.gz UPDNLJWQZUCBKN-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO CCN(C(=O)CCCF)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772353 893135076 /nfs/dbraw/zinc/13/50/76/893135076.db2.gz GCVYUKHGEWHQRP-LBPRGKRZSA-N 1 2 298.362 0.299 20 30 CCEDLO CCN(C(=O)CCCF)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772353 893135085 /nfs/dbraw/zinc/13/50/85/893135085.db2.gz GCVYUKHGEWHQRP-LBPRGKRZSA-N 1 2 298.362 0.299 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)COCC)C1 ZINC001482179120 893464186 /nfs/dbraw/zinc/46/41/86/893464186.db2.gz XMZDUUWSQXKDRP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)COCC)C1 ZINC001482179120 893464188 /nfs/dbraw/zinc/46/41/88/893464188.db2.gz XMZDUUWSQXKDRP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCCC(=O)NC)C1 ZINC001482185921 893476685 /nfs/dbraw/zinc/47/66/85/893476685.db2.gz DIWBSOQWRHAUJC-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCCC(=O)NC)C1 ZINC001482185921 893476692 /nfs/dbraw/zinc/47/66/92/893476692.db2.gz DIWBSOQWRHAUJC-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CCC)OC)C1 ZINC001482194153 893495409 /nfs/dbraw/zinc/49/54/09/893495409.db2.gz AXUQCNKIWGWODM-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CCC)OC)C1 ZINC001482194153 893495419 /nfs/dbraw/zinc/49/54/19/893495419.db2.gz AXUQCNKIWGWODM-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)[C@H](OC)C1 ZINC001212073691 894626158 /nfs/dbraw/zinc/62/61/58/894626158.db2.gz LXRJRMKHSQCLBC-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC2CCC2)[C@H](OC)C1 ZINC001212073691 894626172 /nfs/dbraw/zinc/62/61/72/894626172.db2.gz LXRJRMKHSQCLBC-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001483043163 894826975 /nfs/dbraw/zinc/82/69/75/894826975.db2.gz GLUUFFGEYZPLNW-SREVYHEPSA-N 1 2 278.360 0.184 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001506746677 894889225 /nfs/dbraw/zinc/88/92/25/894889225.db2.gz NCRMOEPPLLQWGT-XHDPSFHLSA-N 1 2 281.400 0.901 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001506746677 894889216 /nfs/dbraw/zinc/88/92/16/894889216.db2.gz NCRMOEPPLLQWGT-XHDPSFHLSA-N 1 2 281.400 0.901 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001483646557 895789647 /nfs/dbraw/zinc/78/96/47/895789647.db2.gz BZVZJTHNWZELKW-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001483646557 895789663 /nfs/dbraw/zinc/78/96/63/895789663.db2.gz BZVZJTHNWZELKW-UONOGXRCSA-N 1 2 291.395 0.457 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001483682781 895846010 /nfs/dbraw/zinc/84/60/10/895846010.db2.gz VCQDFGAABPTHSJ-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001483682781 895846022 /nfs/dbraw/zinc/84/60/22/895846022.db2.gz VCQDFGAABPTHSJ-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO CCOCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001483860921 896082702 /nfs/dbraw/zinc/08/27/02/896082702.db2.gz QOJQDOZVYWNWOS-UHFFFAOYSA-N 1 2 276.340 0.679 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001483882900 896092067 /nfs/dbraw/zinc/09/20/67/896092067.db2.gz KSBYZLYEZBGJSP-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)OC ZINC001484588024 896481369 /nfs/dbraw/zinc/48/13/69/896481369.db2.gz BBPUSQNCODNOQY-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001484588024 896481375 /nfs/dbraw/zinc/48/13/75/896481375.db2.gz BBPUSQNCODNOQY-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO N#CCNC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001484645538 896514690 /nfs/dbraw/zinc/51/46/90/896514690.db2.gz BZNSIJYJPXNUEB-UHFFFAOYSA-N 1 2 261.329 0.425 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)COCCC)O2 ZINC001484783507 896600024 /nfs/dbraw/zinc/60/00/24/896600024.db2.gz WCJNPCDCVBFOHN-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001484796789 896608579 /nfs/dbraw/zinc/60/85/79/896608579.db2.gz PHRASFDOFZTJQA-ZDUSSCGKSA-N 1 2 298.358 0.345 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001484796492 896609087 /nfs/dbraw/zinc/60/90/87/896609087.db2.gz CXMHIUIMHRNQRZ-CYBMUJFWSA-N 1 2 280.343 0.719 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484798422 896612471 /nfs/dbraw/zinc/61/24/71/896612471.db2.gz WYZRFFLLESOYLN-UONOGXRCSA-N 1 2 294.395 0.520 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2nnc(C)o2)C1 ZINC001485402539 897034486 /nfs/dbraw/zinc/03/44/86/897034486.db2.gz AMMGBOVJYNNXPL-UHFFFAOYSA-N 1 2 294.355 0.050 20 30 CCEDLO C[C@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cnnn2C)C1 ZINC001485501781 897091026 /nfs/dbraw/zinc/09/10/26/897091026.db2.gz COLGDTGYRISYIQ-NSHDSACASA-N 1 2 287.367 0.165 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 ZINC001485552309 897116047 /nfs/dbraw/zinc/11/60/47/897116047.db2.gz AFUGZKMCAKMYNM-DOMZBBRYSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 ZINC001485552309 897116055 /nfs/dbraw/zinc/11/60/55/897116055.db2.gz AFUGZKMCAKMYNM-DOMZBBRYSA-N 1 2 295.383 0.000 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107820666 897323600 /nfs/dbraw/zinc/32/36/00/897323600.db2.gz ARQUYGVXNNCDJL-JSGCOSHPSA-N 1 2 263.341 0.376 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107820666 897323614 /nfs/dbraw/zinc/32/36/14/897323614.db2.gz ARQUYGVXNNCDJL-JSGCOSHPSA-N 1 2 263.341 0.376 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001107851843 897359050 /nfs/dbraw/zinc/35/90/50/897359050.db2.gz RXJUQWOSYLTVJI-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CC1 ZINC001032401854 897451969 /nfs/dbraw/zinc/45/19/69/897451969.db2.gz BUQQVHZQBAPOLM-UWVGGRQHSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CC1 ZINC001032401854 897451973 /nfs/dbraw/zinc/45/19/73/897451973.db2.gz BUQQVHZQBAPOLM-UWVGGRQHSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C2CCC2)nn1 ZINC001032407254 897474420 /nfs/dbraw/zinc/47/44/20/897474420.db2.gz RNJXOHJRSWCYFW-STQMWFEESA-N 1 2 285.351 0.535 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C2CCC2)nn1 ZINC001032407254 897474436 /nfs/dbraw/zinc/47/44/36/897474436.db2.gz RNJXOHJRSWCYFW-STQMWFEESA-N 1 2 285.351 0.535 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(O)CC2)C1 ZINC001107909192 897481687 /nfs/dbraw/zinc/48/16/87/897481687.db2.gz WJMZGSYCSSTULI-XUJLQICISA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(O)CC2)C1 ZINC001107909192 897481696 /nfs/dbraw/zinc/48/16/96/897481696.db2.gz WJMZGSYCSSTULI-XUJLQICISA-N 1 2 296.411 0.931 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(F)F ZINC001032423908 897541993 /nfs/dbraw/zinc/54/19/93/897541993.db2.gz ISYBHFLYPJXFEH-UWVGGRQHSA-N 1 2 280.278 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(F)F ZINC001032423908 897542005 /nfs/dbraw/zinc/54/20/05/897542005.db2.gz ISYBHFLYPJXFEH-UWVGGRQHSA-N 1 2 280.278 0.810 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001032438155 897562800 /nfs/dbraw/zinc/56/28/00/897562800.db2.gz IXYRDERGWLZVJF-STQMWFEESA-N 1 2 280.343 0.814 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001032438155 897562808 /nfs/dbraw/zinc/56/28/08/897562808.db2.gz IXYRDERGWLZVJF-STQMWFEESA-N 1 2 280.343 0.814 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCNC(=O)C1 ZINC001032473484 897615068 /nfs/dbraw/zinc/61/50/68/897615068.db2.gz ADSZCJHMZPUDRO-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCNC(=O)C1 ZINC001032473484 897615073 /nfs/dbraw/zinc/61/50/73/897615073.db2.gz ADSZCJHMZPUDRO-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccon1 ZINC001032520577 897695189 /nfs/dbraw/zinc/69/51/89/897695189.db2.gz WKXZDIXZBCZKPV-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccon1 ZINC001032520577 897695197 /nfs/dbraw/zinc/69/51/97/897695197.db2.gz WKXZDIXZBCZKPV-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC(C)CC1 ZINC001032667521 897914577 /nfs/dbraw/zinc/91/45/77/897914577.db2.gz CRZVLIITIBQAQD-KBPBESRZSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC(C)CC1 ZINC001032667521 897914592 /nfs/dbraw/zinc/91/45/92/897914592.db2.gz CRZVLIITIBQAQD-KBPBESRZSA-N 1 2 291.395 0.716 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032668130 897918553 /nfs/dbraw/zinc/91/85/53/897918553.db2.gz VKANTVPVNIELFO-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)n1 ZINC001032668130 897918568 /nfs/dbraw/zinc/91/85/68/897918568.db2.gz VKANTVPVNIELFO-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001032677478 897918672 /nfs/dbraw/zinc/91/86/72/897918672.db2.gz LIIYRBZQPBRTAS-AJNGGQMLSA-N 1 2 274.364 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001032677478 897918687 /nfs/dbraw/zinc/91/86/87/897918687.db2.gz LIIYRBZQPBRTAS-AJNGGQMLSA-N 1 2 274.364 0.886 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)on1 ZINC001032668580 897919628 /nfs/dbraw/zinc/91/96/28/897919628.db2.gz HSRWOOPQUJRJPV-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)on1 ZINC001032668580 897919636 /nfs/dbraw/zinc/91/96/36/897919636.db2.gz HSRWOOPQUJRJPV-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001032737057 898039266 /nfs/dbraw/zinc/03/92/66/898039266.db2.gz QYKPWPZLLPDAJY-RDBSUJKOSA-N 1 2 285.347 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001032737057 898039280 /nfs/dbraw/zinc/03/92/80/898039280.db2.gz QYKPWPZLLPDAJY-RDBSUJKOSA-N 1 2 285.347 0.767 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001077921671 898055105 /nfs/dbraw/zinc/05/51/05/898055105.db2.gz IGSMNZPYJIKRQX-ZIAGYGMSSA-N 1 2 291.351 0.425 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001077921671 898055124 /nfs/dbraw/zinc/05/51/24/898055124.db2.gz IGSMNZPYJIKRQX-ZIAGYGMSSA-N 1 2 291.351 0.425 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001038534815 898082389 /nfs/dbraw/zinc/08/23/89/898082389.db2.gz YRNYZHBYQLSEFT-GFCCVEGCSA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001038534815 898082402 /nfs/dbraw/zinc/08/24/02/898082402.db2.gz YRNYZHBYQLSEFT-GFCCVEGCSA-N 1 2 298.350 0.191 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001272858665 898087315 /nfs/dbraw/zinc/08/73/15/898087315.db2.gz CAMZSYUVOQIMFW-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001272858665 898087329 /nfs/dbraw/zinc/08/73/29/898087329.db2.gz CAMZSYUVOQIMFW-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001083796348 898088553 /nfs/dbraw/zinc/08/85/53/898088553.db2.gz YIAHIKLAISFEMG-NEPJUHHUSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001083796348 898088560 /nfs/dbraw/zinc/08/85/60/898088560.db2.gz YIAHIKLAISFEMG-NEPJUHHUSA-N 1 2 294.301 0.681 20 30 CCEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C#N ZINC001272885795 898119109 /nfs/dbraw/zinc/11/91/09/898119109.db2.gz AVEYRQHVPDDWTN-MQYQWHSLSA-N 1 2 293.367 0.442 20 30 CCEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C#N ZINC001272885795 898119114 /nfs/dbraw/zinc/11/91/14/898119114.db2.gz AVEYRQHVPDDWTN-MQYQWHSLSA-N 1 2 293.367 0.442 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)OCCO2 ZINC001032778840 898171306 /nfs/dbraw/zinc/17/13/06/898171306.db2.gz LQXGQCUPECSZMO-KBPBESRZSA-N 1 2 298.342 0.990 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)OCCO2 ZINC001032778840 898171317 /nfs/dbraw/zinc/17/13/17/898171317.db2.gz LQXGQCUPECSZMO-KBPBESRZSA-N 1 2 298.342 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cn1 ZINC001032808971 898401388 /nfs/dbraw/zinc/40/13/88/898401388.db2.gz ZFQJMSXAMTVNLR-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cn1 ZINC001032808971 898401392 /nfs/dbraw/zinc/40/13/92/898401392.db2.gz ZFQJMSXAMTVNLR-KBPBESRZSA-N 1 2 284.363 0.680 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(NCC#N)CCC1 ZINC001326899385 914258718 /nfs/dbraw/zinc/25/87/18/914258718.db2.gz OAXBJGPGRHRTAK-LLVKDONJSA-N 1 2 275.356 0.740 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(NCC#N)CCC1 ZINC001326899385 914258733 /nfs/dbraw/zinc/25/87/33/914258733.db2.gz OAXBJGPGRHRTAK-LLVKDONJSA-N 1 2 275.356 0.740 20 30 CCEDLO C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)NCC#N ZINC001485929114 898519424 /nfs/dbraw/zinc/51/94/24/898519424.db2.gz QNGLVYKLVGDSIO-VXGBXAGGSA-N 1 2 263.345 0.794 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](C)n2cc[nH+]c2)C1=O ZINC001327013684 914312860 /nfs/dbraw/zinc/31/28/60/914312860.db2.gz URZVCNBZOULWNM-RYUDHWBXSA-N 1 2 276.340 0.689 20 30 CCEDLO CC(C)C#CC(=O)NCC1C[NH+](CC(=O)NCC2CC2)C1 ZINC001494550775 899138797 /nfs/dbraw/zinc/13/87/97/899138797.db2.gz BUYHTINJGYBDDJ-UHFFFAOYSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)OCC)C2)CC1 ZINC001327081400 914359108 /nfs/dbraw/zinc/35/91/08/914359108.db2.gz IAIUDOAGINWYQQ-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001490309460 900598961 /nfs/dbraw/zinc/59/89/61/900598961.db2.gz JUUQOATZIIRCTN-OCCSQVGLSA-N 1 2 289.383 0.845 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001490448864 900622931 /nfs/dbraw/zinc/62/29/31/900622931.db2.gz FQDXLCHFMQWVQK-NSHDSACASA-N 1 2 253.346 0.409 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001490448864 900622940 /nfs/dbraw/zinc/62/29/40/900622940.db2.gz FQDXLCHFMQWVQK-NSHDSACASA-N 1 2 253.346 0.409 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253130516 900812026 /nfs/dbraw/zinc/81/20/26/900812026.db2.gz WLNDELJJLDBJNN-CQSZACIVSA-N 1 2 278.352 0.807 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253130516 900812034 /nfs/dbraw/zinc/81/20/34/900812034.db2.gz WLNDELJJLDBJNN-CQSZACIVSA-N 1 2 278.352 0.807 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001327350058 914493924 /nfs/dbraw/zinc/49/39/24/914493924.db2.gz NWGOXZDCSKIANI-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 ZINC001280889604 904164637 /nfs/dbraw/zinc/16/46/37/904164637.db2.gz PCRYSDCGTXKLPS-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2ccsc2)C1 ZINC001282504856 904496780 /nfs/dbraw/zinc/49/67/80/904496780.db2.gz AIJQJIKFZBTHGW-UHFFFAOYSA-N 1 2 292.404 0.867 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283138583 904706898 /nfs/dbraw/zinc/70/68/98/904706898.db2.gz ZZLSHECIXIIGSO-UHFFFAOYSA-N 1 2 278.356 0.787 20 30 CCEDLO C#CCC[N@H+](C)CCOCCNC(=O)[C@H](F)C(F)(F)F ZINC001283377161 904828508 /nfs/dbraw/zinc/82/85/08/904828508.db2.gz JCVJTNLLOCLMGF-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001283377161 904828472 /nfs/dbraw/zinc/82/84/72/904828472.db2.gz JCVJTNLLOCLMGF-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@@H+](C)CCOCCNC(=O)C(F)C(F)(F)F ZINC001283377161 904828494 /nfs/dbraw/zinc/82/84/94/904828494.db2.gz JCVJTNLLOCLMGF-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C#CCC[N@@H+](C)CCOCCNC(=O)[C@H](F)C(F)(F)F ZINC001283377161 904828525 /nfs/dbraw/zinc/82/85/25/904828525.db2.gz JCVJTNLLOCLMGF-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)C#CC1CC1 ZINC001284265035 905225200 /nfs/dbraw/zinc/22/52/00/905225200.db2.gz LFTRIPZPKPFOGS-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)C#CC1CC1 ZINC001284265035 905225217 /nfs/dbraw/zinc/22/52/17/905225217.db2.gz LFTRIPZPKPFOGS-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001284417764 905286323 /nfs/dbraw/zinc/28/63/23/905286323.db2.gz PVFDQUUWCBMEIM-DTWKUNHWSA-N 1 2 286.269 0.872 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)N(C)CC2CC2)C1 ZINC001377960716 905280234 /nfs/dbraw/zinc/28/02/34/905280234.db2.gz OJONPXAOUAEVIF-LLVKDONJSA-N 1 2 292.383 0.062 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001284417764 905286307 /nfs/dbraw/zinc/28/63/07/905286307.db2.gz PVFDQUUWCBMEIM-DTWKUNHWSA-N 1 2 286.269 0.872 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C(C)(C)C(N)=O)CC1 ZINC001284929635 905491649 /nfs/dbraw/zinc/49/16/49/905491649.db2.gz ZVYLJIFDXVONCI-UHFFFAOYSA-N 1 2 299.802 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C(C)(C)C(N)=O)CC1 ZINC001284929635 905491658 /nfs/dbraw/zinc/49/16/58/905491658.db2.gz ZVYLJIFDXVONCI-UHFFFAOYSA-N 1 2 299.802 0.999 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C#CC1CC1 ZINC001285086460 905544324 /nfs/dbraw/zinc/54/43/24/905544324.db2.gz CZOINNLUUKESLR-GFCCVEGCSA-N 1 2 288.351 0.377 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2nnccc2C#N)[C@@H](C)CO1 ZINC001337924665 921302955 /nfs/dbraw/zinc/30/29/55/921302955.db2.gz DIRXOEKZOOLQSS-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2nnccc2C#N)[C@@H](C)CO1 ZINC001337924665 921302957 /nfs/dbraw/zinc/30/29/57/921302957.db2.gz DIRXOEKZOOLQSS-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001381770570 907386547 /nfs/dbraw/zinc/38/65/47/907386547.db2.gz KZDOBWIYQOZDKT-QWRGUYRKSA-N 1 2 275.356 0.516 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001492312292 907839290 /nfs/dbraw/zinc/83/92/90/907839290.db2.gz PTQGNHKAQHGSIK-BFHYXJOUSA-N 1 2 293.411 0.773 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001492312292 907839274 /nfs/dbraw/zinc/83/92/74/907839274.db2.gz PTQGNHKAQHGSIK-BFHYXJOUSA-N 1 2 293.411 0.773 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1c[nH]c(C#N)c1 ZINC001301545206 907969352 /nfs/dbraw/zinc/96/93/52/907969352.db2.gz FLCNRBVYXLKUPN-JTQLQIEISA-N 1 2 259.269 0.083 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC001307510690 908322059 /nfs/dbraw/zinc/32/20/59/908322059.db2.gz QSBSDNMKKDYQJE-GFCCVEGCSA-N 1 2 251.374 0.670 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC001307510690 908322073 /nfs/dbraw/zinc/32/20/73/908322073.db2.gz QSBSDNMKKDYQJE-GFCCVEGCSA-N 1 2 251.374 0.670 20 30 CCEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)NCC#N)CC1 ZINC001307849634 908359315 /nfs/dbraw/zinc/35/93/15/908359315.db2.gz KYXBCTZYJCWADK-UHFFFAOYSA-N 1 2 279.262 0.669 20 30 CCEDLO C=CCCC[N@@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001308068848 908375864 /nfs/dbraw/zinc/37/58/64/908375864.db2.gz SNIPZHNNALURCH-UHFFFAOYSA-N 1 2 263.345 0.762 20 30 CCEDLO C=CCCC[N@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001308068848 908375877 /nfs/dbraw/zinc/37/58/77/908375877.db2.gz SNIPZHNNALURCH-UHFFFAOYSA-N 1 2 263.345 0.762 20 30 CCEDLO C#C[C@H](CO)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC001308882870 908440233 /nfs/dbraw/zinc/44/02/33/908440233.db2.gz NINZDFRGOHJILF-SNVBAGLBSA-N 1 2 292.339 0.907 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001316964972 908875923 /nfs/dbraw/zinc/87/59/23/908875923.db2.gz MFPIZGUPDIAUHZ-GJZGRUSLSA-N 1 2 293.411 0.169 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001316976126 908893847 /nfs/dbraw/zinc/89/38/47/908893847.db2.gz KGBQSUNTHRIQFH-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001316976126 908893858 /nfs/dbraw/zinc/89/38/58/908893858.db2.gz KGBQSUNTHRIQFH-KGLIPLIRSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001316987224 908901216 /nfs/dbraw/zinc/90/12/16/908901216.db2.gz AXIVVBZGUZNGAF-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001316987224 908901228 /nfs/dbraw/zinc/90/12/28/908901228.db2.gz AXIVVBZGUZNGAF-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO CCc1noc(C[NH2+][C@H](C)CNC(=O)C#CC(C)C)n1 ZINC001317239187 909078936 /nfs/dbraw/zinc/07/89/36/909078936.db2.gz RCRLWALUCXDDAR-LLVKDONJSA-N 1 2 278.356 0.886 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NCC)cc1 ZINC001317459880 909238324 /nfs/dbraw/zinc/23/83/24/909238324.db2.gz VLALTIJGCZKWKD-UHFFFAOYSA-N 1 2 287.363 0.466 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NCC)cc1 ZINC001317459880 909238332 /nfs/dbraw/zinc/23/83/32/909238332.db2.gz VLALTIJGCZKWKD-UHFFFAOYSA-N 1 2 287.363 0.466 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001387856598 909290274 /nfs/dbraw/zinc/29/02/74/909290274.db2.gz YILSMTNNFLUBIZ-GFCCVEGCSA-N 1 2 291.355 0.398 20 30 CCEDLO C#CCOCCC(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC001317586283 909389318 /nfs/dbraw/zinc/38/93/18/909389318.db2.gz HORJGYGQSUNGIE-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC=C)C1 ZINC001317980992 909557699 /nfs/dbraw/zinc/55/76/99/909557699.db2.gz CCRLIVFPGZCHOI-AWEZNQCLSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC=C)C1 ZINC001317980992 909557714 /nfs/dbraw/zinc/55/77/14/909557714.db2.gz CCRLIVFPGZCHOI-AWEZNQCLSA-N 1 2 291.395 0.673 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)COCc2cc(C)on2)C1 ZINC001318037967 909593068 /nfs/dbraw/zinc/59/30/68/909593068.db2.gz KSKGAJDYKJXYFO-UHFFFAOYSA-N 1 2 279.340 0.876 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001318055601 909599932 /nfs/dbraw/zinc/59/99/32/909599932.db2.gz DSCNMDAFQGTXOO-DGCLKSJQSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001318081145 909611469 /nfs/dbraw/zinc/61/14/69/909611469.db2.gz DYTNAYRJAQOOEK-UHFFFAOYSA-N 1 2 277.324 0.404 20 30 CCEDLO CC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318400594 909744189 /nfs/dbraw/zinc/74/41/89/909744189.db2.gz SDGIMRLXVGAMPY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318400594 909744203 /nfs/dbraw/zinc/74/42/03/909744203.db2.gz SDGIMRLXVGAMPY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001389421226 909884105 /nfs/dbraw/zinc/88/41/05/909884105.db2.gz NRJBHUOUYBDOER-ZJUUUORDSA-N 1 2 299.334 0.957 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001320054755 910439556 /nfs/dbraw/zinc/43/95/56/910439556.db2.gz VEIRDJMFIDHCAH-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1csnn1 ZINC001320215094 910529057 /nfs/dbraw/zinc/52/90/57/910529057.db2.gz BUMWSRKSDPAAFB-MNOVXSKESA-N 1 2 296.396 0.325 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C=C)n2CC=C)CC1 ZINC001339055624 921639188 /nfs/dbraw/zinc/63/91/88/921639188.db2.gz ISEAWTHVFJSBII-CYBMUJFWSA-N 1 2 287.367 0.439 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCO)CSC ZINC001339072026 921644069 /nfs/dbraw/zinc/64/40/69/921644069.db2.gz ZEHGMFQGAGDALA-RYUDHWBXSA-N 1 2 270.398 0.314 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCO)CSC ZINC001339072026 921644074 /nfs/dbraw/zinc/64/40/74/921644074.db2.gz ZEHGMFQGAGDALA-RYUDHWBXSA-N 1 2 270.398 0.314 20 30 CCEDLO N#CCCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001322495244 911833491 /nfs/dbraw/zinc/83/34/91/911833491.db2.gz FPJKXSIJOIGSAQ-UHFFFAOYSA-N 1 2 277.328 0.199 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nncn1C ZINC001322620613 911884716 /nfs/dbraw/zinc/88/47/16/911884716.db2.gz BFZRQDMSSYVNIU-SECBINFHSA-N 1 2 262.317 0.028 20 30 CCEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)CCC(N)=O ZINC001339343227 921706214 /nfs/dbraw/zinc/70/62/14/921706214.db2.gz HNIVZCOZBVMOBM-NSHDSACASA-N 1 2 274.386 0.317 20 30 CCEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)CCC(N)=O ZINC001339343227 921706226 /nfs/dbraw/zinc/70/62/26/921706226.db2.gz HNIVZCOZBVMOBM-NSHDSACASA-N 1 2 274.386 0.317 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001392688666 912086035 /nfs/dbraw/zinc/08/60/35/912086035.db2.gz YQWSTEYGPVUHMH-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001392688666 912086047 /nfs/dbraw/zinc/08/60/47/912086047.db2.gz YQWSTEYGPVUHMH-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C[C@@H](CC(=O)N[C@H](CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001323083417 912105606 /nfs/dbraw/zinc/10/56/06/912105606.db2.gz ZMNKVPGQIAUDRH-WCQYABFASA-N 1 2 275.356 0.842 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCOCC(C)C ZINC001323181944 912159862 /nfs/dbraw/zinc/15/98/62/912159862.db2.gz NMUBNMPGPPRHQM-OAHLLOKOSA-N 1 2 296.411 0.889 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CCOCC(C)C ZINC001323181944 912159868 /nfs/dbraw/zinc/15/98/68/912159868.db2.gz NMUBNMPGPPRHQM-OAHLLOKOSA-N 1 2 296.411 0.889 20 30 CCEDLO CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)cn1 ZINC001323198625 912174918 /nfs/dbraw/zinc/17/49/18/912174918.db2.gz JIHQIODNYYUGBV-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)cn1 ZINC001323198625 912174926 /nfs/dbraw/zinc/17/49/26/912174926.db2.gz JIHQIODNYYUGBV-AWEZNQCLSA-N 1 2 290.367 0.357 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001399903574 915425884 /nfs/dbraw/zinc/42/58/84/915425884.db2.gz QJRXAQIWFBVRBH-ONGXEEELSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001399903574 915425900 /nfs/dbraw/zinc/42/59/00/915425900.db2.gz QJRXAQIWFBVRBH-ONGXEEELSA-N 1 2 277.328 0.476 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001400070681 915545575 /nfs/dbraw/zinc/54/55/75/915545575.db2.gz KOMSJJDNCXAECE-VXGBXAGGSA-N 1 2 291.355 0.444 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cncc(C)c2)C1 ZINC001329651649 916098889 /nfs/dbraw/zinc/09/88/89/916098889.db2.gz JQGJYXXXVQOBCA-UHFFFAOYSA-N 1 2 287.363 0.580 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@H](C)COC)C1 ZINC001329668068 916111263 /nfs/dbraw/zinc/11/12/63/916111263.db2.gz OVFQTXHLKHJXFU-ZIAGYGMSSA-N 1 2 296.411 0.481 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)OC)C1 ZINC001329972731 916327205 /nfs/dbraw/zinc/32/72/05/916327205.db2.gz RINBAHDPDRETCK-NEPJUHHUSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001330177538 916453997 /nfs/dbraw/zinc/45/39/97/916453997.db2.gz QGOADTBMLIMOMM-RYUDHWBXSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001330177538 916454007 /nfs/dbraw/zinc/45/40/07/916454007.db2.gz QGOADTBMLIMOMM-RYUDHWBXSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001330327050 916553919 /nfs/dbraw/zinc/55/39/19/916553919.db2.gz JNLJSZMZKFIHRZ-GFCCVEGCSA-N 1 2 276.340 0.424 20 30 CCEDLO CCn1cc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)nn1 ZINC001402635325 917146097 /nfs/dbraw/zinc/14/60/97/917146097.db2.gz FQRFDUNZCSPDSU-GFCCVEGCSA-N 1 2 292.387 0.738 20 30 CCEDLO CCn1cc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)nn1 ZINC001402635325 917146101 /nfs/dbraw/zinc/14/61/01/917146101.db2.gz FQRFDUNZCSPDSU-GFCCVEGCSA-N 1 2 292.387 0.738 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001331490901 917370802 /nfs/dbraw/zinc/37/08/02/917370802.db2.gz RGCUEKZTZMZNHO-VXGBXAGGSA-N 1 2 275.356 0.406 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111332 917493801 /nfs/dbraw/zinc/49/38/01/917493801.db2.gz UIDWEYLJLKBRAE-NWDGAFQWSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111332 917493813 /nfs/dbraw/zinc/49/38/13/917493813.db2.gz UIDWEYLJLKBRAE-NWDGAFQWSA-N 1 2 289.383 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001403120094 917504907 /nfs/dbraw/zinc/50/49/07/917504907.db2.gz PKIZNFFTEGKGRZ-NXEZZACHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001403120094 917504917 /nfs/dbraw/zinc/50/49/17/917504917.db2.gz PKIZNFFTEGKGRZ-NXEZZACHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001331791354 917613946 /nfs/dbraw/zinc/61/39/46/917613946.db2.gz WCKDRUXGENBORH-GHMZBOCLSA-N 1 2 297.380 0.241 20 30 CCEDLO COc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)on1 ZINC001403297160 917636945 /nfs/dbraw/zinc/63/69/45/917636945.db2.gz MLHXAHMAGBNSLU-ZJUUUORDSA-N 1 2 292.339 0.779 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332148478 917904822 /nfs/dbraw/zinc/90/48/22/917904822.db2.gz YCNYOUKFNZCVFU-SMDDNHRTSA-N 1 2 290.367 0.681 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001332148478 917904836 /nfs/dbraw/zinc/90/48/36/917904836.db2.gz YCNYOUKFNZCVFU-SMDDNHRTSA-N 1 2 290.367 0.681 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406652372 919409293 /nfs/dbraw/zinc/40/92/93/919409293.db2.gz LYSPGOVPUIYTNW-ZJUUUORDSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406652372 919409305 /nfs/dbraw/zinc/40/93/05/919409305.db2.gz LYSPGOVPUIYTNW-ZJUUUORDSA-N 1 2 288.779 0.199 20 30 CCEDLO C#CCN(C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001334257969 919465353 /nfs/dbraw/zinc/46/53/53/919465353.db2.gz FCOXCVLLVZVKGL-GFCCVEGCSA-N 1 2 288.351 0.184 20 30 CCEDLO CC(C)n1ncnc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001406902830 919525998 /nfs/dbraw/zinc/52/59/98/919525998.db2.gz BRCCFZMZGGTASL-NSHDSACASA-N 1 2 290.371 0.757 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001408498181 920204898 /nfs/dbraw/zinc/20/48/98/920204898.db2.gz PMAOFTZGBMLIMI-VXGBXAGGSA-N 1 2 291.355 0.444 20 30 CCEDLO N#CCCn1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC001414401358 920305609 /nfs/dbraw/zinc/30/56/09/920305609.db2.gz JVKTUCPWCUUQFR-SNVBAGLBSA-N 1 2 285.311 0.740 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001339776794 921826302 /nfs/dbraw/zinc/82/63/02/921826302.db2.gz ALXCMQBWYBZTRU-QWHCGFSZSA-N 1 2 287.367 0.108 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001339776794 921826311 /nfs/dbraw/zinc/82/63/11/921826311.db2.gz ALXCMQBWYBZTRU-QWHCGFSZSA-N 1 2 287.367 0.108 20 30 CCEDLO C=C(C)Cn1nnnc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001340233896 922017987 /nfs/dbraw/zinc/01/79/87/922017987.db2.gz PXTCSSMXCGZWDG-ZDUSSCGKSA-N 1 2 292.387 0.550 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001340702431 922174059 /nfs/dbraw/zinc/17/40/59/922174059.db2.gz RGKKOYDXTZMBED-IUODEOHRSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001340702431 922174069 /nfs/dbraw/zinc/17/40/69/922174069.db2.gz RGKKOYDXTZMBED-IUODEOHRSA-N 1 2 289.383 0.445 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001341650220 922604665 /nfs/dbraw/zinc/60/46/65/922604665.db2.gz YMHNDQCDEMTFGT-KWQFWETISA-N 1 2 255.281 0.404 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001342744705 923080628 /nfs/dbraw/zinc/08/06/28/923080628.db2.gz NYJWEOIWKPFSMV-GFCCVEGCSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001342744705 923080644 /nfs/dbraw/zinc/08/06/44/923080644.db2.gz NYJWEOIWKPFSMV-GFCCVEGCSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(CC(=O)OC)CC1)C(=O)OCC ZINC001343721695 923443671 /nfs/dbraw/zinc/44/36/71/923443671.db2.gz AMJGAEFIHQTQAT-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C=CC[C@@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OCC ZINC001343721695 923443678 /nfs/dbraw/zinc/44/36/78/923443678.db2.gz AMJGAEFIHQTQAT-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001420298591 923519649 /nfs/dbraw/zinc/51/96/49/923519649.db2.gz LQWKWRDKOPETIU-UHFFFAOYSA-N 1 2 285.779 0.548 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cnn(C)n1 ZINC001420298591 923519657 /nfs/dbraw/zinc/51/96/57/923519657.db2.gz LQWKWRDKOPETIU-UHFFFAOYSA-N 1 2 285.779 0.548 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001479766652 923572083 /nfs/dbraw/zinc/57/20/83/923572083.db2.gz BYKSMKZLUSPJMW-AWEZNQCLSA-N 1 2 281.356 0.940 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001479766652 923572093 /nfs/dbraw/zinc/57/20/93/923572093.db2.gz BYKSMKZLUSPJMW-AWEZNQCLSA-N 1 2 281.356 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001420683922 923871806 /nfs/dbraw/zinc/87/18/06/923871806.db2.gz QYYADGXJZKMMDM-MNOVXSKESA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001420683922 923871821 /nfs/dbraw/zinc/87/18/21/923871821.db2.gz QYYADGXJZKMMDM-MNOVXSKESA-N 1 2 285.775 0.441 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](NC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001420715788 923893028 /nfs/dbraw/zinc/89/30/28/923893028.db2.gz GZHRFTVTCWIEND-KCJUWKMLSA-N 1 2 277.328 0.522 20 30 CCEDLO N#Cc1ccc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)nn1 ZINC001421090784 924146187 /nfs/dbraw/zinc/14/61/87/924146187.db2.gz UWFIILHHVNIHDO-LBPRGKRZSA-N 1 2 287.323 0.540 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001421238179 924234176 /nfs/dbraw/zinc/23/41/76/924234176.db2.gz ULTHLTQPVGYLPX-ZJUUUORDSA-N 1 2 278.312 0.533 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001421238179 924234187 /nfs/dbraw/zinc/23/41/87/924234187.db2.gz ULTHLTQPVGYLPX-ZJUUUORDSA-N 1 2 278.312 0.533 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346766912 924307395 /nfs/dbraw/zinc/30/73/95/924307395.db2.gz MXXYNAWHGQUPPD-QWHCGFSZSA-N 1 2 268.405 0.838 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346766912 924307406 /nfs/dbraw/zinc/30/74/06/924307406.db2.gz MXXYNAWHGQUPPD-QWHCGFSZSA-N 1 2 268.405 0.838 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC001346873386 924323920 /nfs/dbraw/zinc/32/39/20/924323920.db2.gz IULOOMPZFUDKCM-CYBMUJFWSA-N 1 2 292.383 0.303 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001349468796 924967201 /nfs/dbraw/zinc/96/72/01/924967201.db2.gz WPUQACIZPBZNPW-YNEHKIRRSA-N 1 2 266.389 0.284 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001349468796 924967209 /nfs/dbraw/zinc/96/72/09/924967209.db2.gz WPUQACIZPBZNPW-YNEHKIRRSA-N 1 2 266.389 0.284 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001349469149 924968484 /nfs/dbraw/zinc/96/84/84/924968484.db2.gz ZSXMNFYPSIRNAK-TZMCWYRMSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001349469149 924968491 /nfs/dbraw/zinc/96/84/91/924968491.db2.gz ZSXMNFYPSIRNAK-TZMCWYRMSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001349469147 924968950 /nfs/dbraw/zinc/96/89/50/924968950.db2.gz ZSXMNFYPSIRNAK-JSGCOSHPSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001349469147 924968960 /nfs/dbraw/zinc/96/89/60/924968960.db2.gz ZSXMNFYPSIRNAK-JSGCOSHPSA-N 1 2 278.400 0.428 20 30 CCEDLO C=C1CC(C)(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001349515004 924978666 /nfs/dbraw/zinc/97/86/66/924978666.db2.gz NCSOWSMRVWHOHV-UHFFFAOYSA-N 1 2 276.340 0.541 20 30 CCEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001413963423 926007316 /nfs/dbraw/zinc/00/73/16/926007316.db2.gz LIFIFGMAOQTUOK-ZIAGYGMSSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001413963423 926007326 /nfs/dbraw/zinc/00/73/26/926007326.db2.gz LIFIFGMAOQTUOK-ZIAGYGMSSA-N 1 2 287.319 0.728 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncoc3C)n2C)CC1 ZINC001355800311 926314294 /nfs/dbraw/zinc/31/42/94/926314294.db2.gz CAKXRTIPLNDTIF-UHFFFAOYSA-N 1 2 286.339 0.534 20 30 CCEDLO O=C(C#CC1CC1)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001356758837 926434777 /nfs/dbraw/zinc/43/47/77/926434777.db2.gz DJKVFGCVCZQOEA-UHFFFAOYSA-N 1 2 286.335 0.014 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(COCCO)CC1 ZINC001560155150 926936185 /nfs/dbraw/zinc/93/61/85/926936185.db2.gz CIMSEIDADKDQPA-ZDUSSCGKSA-N 1 2 281.356 0.266 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001421959155 927010410 /nfs/dbraw/zinc/01/04/10/927010410.db2.gz CZQQWRCXCIKIOM-NEPJUHHUSA-N 1 2 272.370 0.162 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001421959155 927010425 /nfs/dbraw/zinc/01/04/25/927010425.db2.gz CZQQWRCXCIKIOM-NEPJUHHUSA-N 1 2 272.370 0.162 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422329406 927224467 /nfs/dbraw/zinc/22/44/67/927224467.db2.gz GLUCUAQTLRFRRW-SNVBAGLBSA-N 1 2 280.353 0.064 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422329406 927224479 /nfs/dbraw/zinc/22/44/79/927224479.db2.gz GLUCUAQTLRFRRW-SNVBAGLBSA-N 1 2 280.353 0.064 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001363396013 929182170 /nfs/dbraw/zinc/18/21/70/929182170.db2.gz CKFQDROMSSNRBC-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO N#CCc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001363520099 929323962 /nfs/dbraw/zinc/32/39/62/929323962.db2.gz WXAGXELWKUPLRC-AWEZNQCLSA-N 1 2 284.319 0.809 20 30 CCEDLO N#CCc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001363520099 929323973 /nfs/dbraw/zinc/32/39/73/929323973.db2.gz WXAGXELWKUPLRC-AWEZNQCLSA-N 1 2 284.319 0.809 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC001371927558 929670196 /nfs/dbraw/zinc/67/01/96/929670196.db2.gz QRCPYYWRORLPMN-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC001371927558 929670202 /nfs/dbraw/zinc/67/02/02/929670202.db2.gz QRCPYYWRORLPMN-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001443993877 929761439 /nfs/dbraw/zinc/76/14/39/929761439.db2.gz NLACFAPYTYGPOH-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001372301522 929802862 /nfs/dbraw/zinc/80/28/62/929802862.db2.gz MIJGXMVCIBMMHH-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001373531939 930225043 /nfs/dbraw/zinc/22/50/43/930225043.db2.gz NFACQUHUSAQKMU-LBPRGKRZSA-N 1 2 276.739 0.916 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)[nH]1 ZINC001448428198 930887677 /nfs/dbraw/zinc/88/76/77/930887677.db2.gz XRCAIAGFHIWHJW-HKWIRBFKSA-N 1 2 288.355 0.067 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)[nH]1 ZINC001448428198 930887682 /nfs/dbraw/zinc/88/76/82/930887682.db2.gz XRCAIAGFHIWHJW-HKWIRBFKSA-N 1 2 288.355 0.067 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001449193287 931099667 /nfs/dbraw/zinc/09/96/67/931099667.db2.gz SZYKCIBLYJWFSY-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001449524165 931152155 /nfs/dbraw/zinc/15/21/55/931152155.db2.gz TWKNVSKLCDXTMA-UNXYVOJBSA-N 1 2 289.339 0.054 20 30 CCEDLO CN(C)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000092936347 349513119 /nfs/dbraw/zinc/51/31/19/349513119.db2.gz CXDKKUHXERMYLZ-UHFFFAOYSA-N 1 2 265.386 0.850 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599693982 361789596 /nfs/dbraw/zinc/78/95/96/361789596.db2.gz QMBCPTODSZEUQD-QWHCGFSZSA-N 1 2 298.412 0.691 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000599693982 361789598 /nfs/dbraw/zinc/78/95/98/361789598.db2.gz QMBCPTODSZEUQD-QWHCGFSZSA-N 1 2 298.412 0.691 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCC#N ZINC000600234182 361898229 /nfs/dbraw/zinc/89/82/29/361898229.db2.gz TVIXFAONUYXKCP-OAHLLOKOSA-N 1 2 295.383 0.412 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCC#N ZINC000600234182 361898232 /nfs/dbraw/zinc/89/82/32/361898232.db2.gz TVIXFAONUYXKCP-OAHLLOKOSA-N 1 2 295.383 0.412 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600417731 361955833 /nfs/dbraw/zinc/95/58/33/361955833.db2.gz AMLNQCKXSBQFJY-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600417731 361955838 /nfs/dbraw/zinc/95/58/38/361955838.db2.gz AMLNQCKXSBQFJY-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000600421889 361957023 /nfs/dbraw/zinc/95/70/23/361957023.db2.gz PWAXZOBGQPFWBL-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000600421889 361957029 /nfs/dbraw/zinc/95/70/29/361957029.db2.gz PWAXZOBGQPFWBL-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352584803 529489233 /nfs/dbraw/zinc/48/92/33/529489233.db2.gz WHCVJQJHPMYJSN-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352584803 529489235 /nfs/dbraw/zinc/48/92/35/529489235.db2.gz WHCVJQJHPMYJSN-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107577784 349738764 /nfs/dbraw/zinc/73/87/64/349738764.db2.gz SSCZJETXPVVISR-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107577784 349738767 /nfs/dbraw/zinc/73/87/67/349738767.db2.gz SSCZJETXPVVISR-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617721184 365727438 /nfs/dbraw/zinc/72/74/38/365727438.db2.gz MGKPEDQALQIOPS-RQJABVFESA-N 1 2 282.384 0.803 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617721184 365727440 /nfs/dbraw/zinc/72/74/40/365727440.db2.gz MGKPEDQALQIOPS-RQJABVFESA-N 1 2 282.384 0.803 20 30 CCEDLO Cc1c(C#N)c(=O)n(Cc2c[nH+]cn2C)c(=O)n1C1CC1 ZINC000601091669 362147060 /nfs/dbraw/zinc/14/70/60/362147060.db2.gz FCVBEVHLYMLGBQ-UHFFFAOYSA-N 1 2 285.307 0.307 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601113977 362151676 /nfs/dbraw/zinc/15/16/76/362151676.db2.gz LDVRPJZVTZNXGC-LLVKDONJSA-N 1 2 287.367 0.780 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601113977 362151679 /nfs/dbraw/zinc/15/16/79/362151679.db2.gz LDVRPJZVTZNXGC-LLVKDONJSA-N 1 2 287.367 0.780 20 30 CCEDLO N#Cc1nc(N[C@@H](CO)C[NH+]2CCOCC2)ccc1Cl ZINC000601177549 362167221 /nfs/dbraw/zinc/16/72/21/362167221.db2.gz WMQQBXADBISQOS-SNVBAGLBSA-N 1 2 296.758 0.134 20 30 CCEDLO C=CCSCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601321159 362218239 /nfs/dbraw/zinc/21/82/39/362218239.db2.gz IRUYOIXLOIFYHB-LLVKDONJSA-N 1 2 294.442 0.156 20 30 CCEDLO C=CCSCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601321159 362218243 /nfs/dbraw/zinc/21/82/43/362218243.db2.gz IRUYOIXLOIFYHB-LLVKDONJSA-N 1 2 294.442 0.156 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000116271362 349865710 /nfs/dbraw/zinc/86/57/10/349865710.db2.gz NCOIMFCQFKPWSN-ZDUSSCGKSA-N 1 2 285.351 0.306 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000601637843 362335898 /nfs/dbraw/zinc/33/58/98/362335898.db2.gz YAVKJZKKWLOZPR-QMMMGPOBSA-N 1 2 256.269 0.101 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC#N)cc1 ZINC000602086372 362477696 /nfs/dbraw/zinc/47/76/96/362477696.db2.gz QAWYXCMBQIRFTP-ZDUSSCGKSA-N 1 2 259.309 0.909 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC#N)cc1 ZINC000602086372 362477701 /nfs/dbraw/zinc/47/77/01/362477701.db2.gz QAWYXCMBQIRFTP-ZDUSSCGKSA-N 1 2 259.309 0.909 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602595059 362699597 /nfs/dbraw/zinc/69/95/97/362699597.db2.gz GNZAHUJGBWDJER-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602595059 362699605 /nfs/dbraw/zinc/69/96/05/362699605.db2.gz GNZAHUJGBWDJER-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CC(C)(C(N)=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602780591 362797623 /nfs/dbraw/zinc/79/76/23/362797623.db2.gz RAPMWOHPFMITTF-UHFFFAOYSA-N 1 2 264.373 0.562 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602780591 362797626 /nfs/dbraw/zinc/79/76/26/362797626.db2.gz RAPMWOHPFMITTF-UHFFFAOYSA-N 1 2 264.373 0.562 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CCN(C#N)CC)C1=O ZINC000602824261 362820344 /nfs/dbraw/zinc/82/03/44/362820344.db2.gz GROHJLHILMWXLS-LBPRGKRZSA-N 1 2 250.346 0.508 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CCN(C#N)CC)C1=O ZINC000602824261 362820346 /nfs/dbraw/zinc/82/03/46/362820346.db2.gz GROHJLHILMWXLS-LBPRGKRZSA-N 1 2 250.346 0.508 20 30 CCEDLO COc1nccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602849056 362835817 /nfs/dbraw/zinc/83/58/17/362835817.db2.gz JPNRZOGMAYIPPH-RYUDHWBXSA-N 1 2 275.356 0.903 20 30 CCEDLO C[C@@H]1C[NH+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)N1CC#N ZINC000602849748 362837658 /nfs/dbraw/zinc/83/76/58/362837658.db2.gz NJFGNZYCMIAGQW-GHMZBOCLSA-N 1 2 292.343 0.746 20 30 CCEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602852324 362839440 /nfs/dbraw/zinc/83/94/40/362839440.db2.gz PPBMEDYISNQPQL-LLVKDONJSA-N 1 2 293.289 0.748 20 30 CCEDLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000602852324 362839446 /nfs/dbraw/zinc/83/94/46/362839446.db2.gz PPBMEDYISNQPQL-LLVKDONJSA-N 1 2 293.289 0.748 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857027 362843916 /nfs/dbraw/zinc/84/39/16/362843916.db2.gz OBJBJOYEHKHYGX-AVGNSLFASA-N 1 2 266.389 0.819 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602863745 362848450 /nfs/dbraw/zinc/84/84/50/362848450.db2.gz GHJNXSXURPWSBR-GFCCVEGCSA-N 1 2 292.387 0.223 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602863745 362848443 /nfs/dbraw/zinc/84/84/43/362848443.db2.gz GHJNXSXURPWSBR-GFCCVEGCSA-N 1 2 292.387 0.223 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[NH2+][C@H](C)CC#N ZINC000602864674 362849152 /nfs/dbraw/zinc/84/91/52/362849152.db2.gz SJFKLKIVSXONKK-SNVBAGLBSA-N 1 2 255.318 0.338 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864672 362849837 /nfs/dbraw/zinc/84/98/37/362849837.db2.gz SJFKLKIVSXONKK-JTQLQIEISA-N 1 2 255.318 0.338 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000007926365 348009413 /nfs/dbraw/zinc/00/94/13/348009413.db2.gz UDWPVNUVEPWGPP-XHDPSFHLSA-N 1 2 294.399 0.640 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000007926365 348009414 /nfs/dbraw/zinc/00/94/14/348009414.db2.gz UDWPVNUVEPWGPP-XHDPSFHLSA-N 1 2 294.399 0.640 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCC3CC3)CC2)c1 ZINC000029449529 348112519 /nfs/dbraw/zinc/11/25/19/348112519.db2.gz NUYCCALPVWWPSE-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000023259757 348084724 /nfs/dbraw/zinc/08/47/24/348084724.db2.gz LNUPPWMUWRLFAB-UHFFFAOYSA-N 1 2 289.354 0.693 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000344998300 137226990 /nfs/dbraw/zinc/22/69/90/137226990.db2.gz CYSIZFZAMOHATD-LLVKDONJSA-N 1 2 287.279 0.124 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000344998300 137226991 /nfs/dbraw/zinc/22/69/91/137226991.db2.gz CYSIZFZAMOHATD-LLVKDONJSA-N 1 2 287.279 0.124 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602868226 362851171 /nfs/dbraw/zinc/85/11/71/362851171.db2.gz IIHHRYUQQUKIDY-KGLIPLIRSA-N 1 2 291.399 0.571 20 30 CCEDLO N#Cc1ccccc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602871107 362852535 /nfs/dbraw/zinc/85/25/35/362852535.db2.gz OWPCOYSWQCYWNY-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000602870058 362852926 /nfs/dbraw/zinc/85/29/26/362852926.db2.gz KKFJKUITEDOUTQ-VIFPVBQESA-N 1 2 255.318 0.336 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000041992517 348264086 /nfs/dbraw/zinc/26/40/86/348264086.db2.gz QDSUWGMSLIOPEL-NSHDSACASA-N 1 2 297.318 0.898 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602916211 362884813 /nfs/dbraw/zinc/88/48/13/362884813.db2.gz LXDADJMEIODMMK-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602916211 362884817 /nfs/dbraw/zinc/88/48/17/362884817.db2.gz LXDADJMEIODMMK-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977961 362918661 /nfs/dbraw/zinc/91/86/61/362918661.db2.gz JDYMDKJTRACGGD-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977961 362918663 /nfs/dbraw/zinc/91/86/63/362918663.db2.gz JDYMDKJTRACGGD-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000048336762 348405797 /nfs/dbraw/zinc/40/57/97/348405797.db2.gz CTFBFUHKAUMUNM-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000347660050 137348767 /nfs/dbraw/zinc/34/87/67/137348767.db2.gz SACJJMKAFUPXCP-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000347660050 137348768 /nfs/dbraw/zinc/34/87/68/137348768.db2.gz SACJJMKAFUPXCP-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO C#CCN(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000056626125 348592987 /nfs/dbraw/zinc/59/29/87/348592987.db2.gz SIHJNYQCGKRNEK-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054867726 348565298 /nfs/dbraw/zinc/56/52/98/348565298.db2.gz NHWBYYSQUAJGLW-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054867726 348565301 /nfs/dbraw/zinc/56/53/01/348565301.db2.gz NHWBYYSQUAJGLW-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO N#CCc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000058241158 348623224 /nfs/dbraw/zinc/62/32/24/348623224.db2.gz DSHZBHXXUWUTGO-UHFFFAOYSA-N 1 2 273.336 0.815 20 30 CCEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000063822106 348694014 /nfs/dbraw/zinc/69/40/14/348694014.db2.gz ITPPEQPWXMAFDA-UHFFFAOYSA-N 1 2 297.318 0.818 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229484 348769003 /nfs/dbraw/zinc/76/90/03/348769003.db2.gz UZIVSDAZHIZUBP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229484 348769006 /nfs/dbraw/zinc/76/90/06/348769006.db2.gz UZIVSDAZHIZUBP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO COC(=O)[C@H]([NH+]1CCN(CCC#N)CC1)C1(OC)CCC1 ZINC000603015590 362939776 /nfs/dbraw/zinc/93/97/76/362939776.db2.gz FHTWFEUQHDHEHO-ZDUSSCGKSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cc(C#N)cn1C)[NH+]1CCOCC1 ZINC000081750470 349282364 /nfs/dbraw/zinc/28/23/64/349282364.db2.gz TXHYTOUVJYPSQD-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000084203678 349316899 /nfs/dbraw/zinc/31/68/99/349316899.db2.gz UBPPWQICSGWDMR-CYBMUJFWSA-N 1 2 259.309 0.366 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000084203678 349316903 /nfs/dbraw/zinc/31/69/03/349316903.db2.gz UBPPWQICSGWDMR-CYBMUJFWSA-N 1 2 259.309 0.366 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccn1 ZINC000168540319 350827972 /nfs/dbraw/zinc/82/79/72/350827972.db2.gz GWJKSBFVSMLXCX-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccn1 ZINC000168540319 350827974 /nfs/dbraw/zinc/82/79/74/350827974.db2.gz GWJKSBFVSMLXCX-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000176006308 351153039 /nfs/dbraw/zinc/15/30/39/351153039.db2.gz DCQDECJTHZVDBM-CYBMUJFWSA-N 1 2 288.351 0.823 20 30 CCEDLO N#Cc1ccc(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178606387 351236165 /nfs/dbraw/zinc/23/61/65/351236165.db2.gz FAXNRCOFVGNESL-MRXNPFEDSA-N 1 2 298.390 0.607 20 30 CCEDLO COc1cc(C)[nH+]c(Cn2cc(CNCC#N)nn2)c1 ZINC000603251940 363023056 /nfs/dbraw/zinc/02/30/56/363023056.db2.gz QIFROEAJVAVVTG-UHFFFAOYSA-N 1 2 272.312 0.652 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000185370467 351445412 /nfs/dbraw/zinc/44/54/12/351445412.db2.gz BVVOSIQFADKSBC-UHFFFAOYSA-N 1 2 295.364 0.503 20 30 CCEDLO COCC[N@H+](C)Cc1cn(C[C@H](O)CC(C)(C)C#N)nn1 ZINC000603266928 363036063 /nfs/dbraw/zinc/03/60/63/363036063.db2.gz KQGOGHRTUQCRBV-CYBMUJFWSA-N 1 2 295.387 0.657 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(C[C@H](O)CC(C)(C)C#N)nn1 ZINC000603266928 363036065 /nfs/dbraw/zinc/03/60/65/363036065.db2.gz KQGOGHRTUQCRBV-CYBMUJFWSA-N 1 2 295.387 0.657 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000189087838 351650694 /nfs/dbraw/zinc/65/06/94/351650694.db2.gz PVVZKAJBUQVTMU-UHFFFAOYSA-N 1 2 287.319 0.969 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000189087838 351650697 /nfs/dbraw/zinc/65/06/97/351650697.db2.gz PVVZKAJBUQVTMU-UHFFFAOYSA-N 1 2 287.319 0.969 20 30 CCEDLO Cc1nc(NC[C@H]2CN(C)CC[N@@H+]2C)ccc1C#N ZINC000291775183 198088016 /nfs/dbraw/zinc/08/80/16/198088016.db2.gz CCCYUUGUUSERNH-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1nc(NC[C@H]2CN(C)CC[N@H+]2C)ccc1C#N ZINC000291775183 198088018 /nfs/dbraw/zinc/08/80/18/198088018.db2.gz CCCYUUGUUSERNH-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000198367157 351921611 /nfs/dbraw/zinc/92/16/11/351921611.db2.gz AOVYWJUCAWUZLT-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267411766 352766607 /nfs/dbraw/zinc/76/66/07/352766607.db2.gz RSWQATMVJSURNZ-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1C#N ZINC000292222565 198207611 /nfs/dbraw/zinc/20/76/11/198207611.db2.gz AHUKMJAEUNSUEL-LLVKDONJSA-N 1 2 281.381 0.763 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1C#N ZINC000292222565 198207613 /nfs/dbraw/zinc/20/76/13/198207613.db2.gz AHUKMJAEUNSUEL-LLVKDONJSA-N 1 2 281.381 0.763 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270670816 352966370 /nfs/dbraw/zinc/96/63/70/352966370.db2.gz LMFJFWMLZLGFTC-GFCCVEGCSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270670816 352966372 /nfs/dbraw/zinc/96/63/72/352966372.db2.gz LMFJFWMLZLGFTC-GFCCVEGCSA-N 1 2 262.288 0.940 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000153362346 188078396 /nfs/dbraw/zinc/07/83/96/188078396.db2.gz BFYWYPGUSFGVNX-SNVBAGLBSA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154134928 188125125 /nfs/dbraw/zinc/12/51/25/188125125.db2.gz PJBKJHRPVHRZGX-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154134928 188125126 /nfs/dbraw/zinc/12/51/26/188125126.db2.gz PJBKJHRPVHRZGX-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000283757087 353528190 /nfs/dbraw/zinc/52/81/90/353528190.db2.gz MDQBALMKYYBLCI-CYBMUJFWSA-N 1 2 276.340 0.083 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000287936080 353676617 /nfs/dbraw/zinc/67/66/17/353676617.db2.gz RCUYSHKNCZKJMS-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000294950034 353891268 /nfs/dbraw/zinc/89/12/68/353891268.db2.gz LYGGMRCFRFVYRL-LBPRGKRZSA-N 1 2 288.351 0.472 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000299341163 354010796 /nfs/dbraw/zinc/01/07/96/354010796.db2.gz QJOJSVDCSBPVGJ-CQSZACIVSA-N 1 2 297.358 0.969 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC000333706884 283003373 /nfs/dbraw/zinc/00/33/73/283003373.db2.gz HTVZLCRMBPOKBA-QNWHQSFQSA-N 1 2 278.356 0.403 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC000333706884 283003375 /nfs/dbraw/zinc/00/33/75/283003375.db2.gz HTVZLCRMBPOKBA-QNWHQSFQSA-N 1 2 278.356 0.403 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000558166579 291050572 /nfs/dbraw/zinc/05/05/72/291050572.db2.gz MQDLMCKUZHLUHF-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000558166579 291050575 /nfs/dbraw/zinc/05/05/75/291050575.db2.gz MQDLMCKUZHLUHF-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C ZINC000339750567 355505580 /nfs/dbraw/zinc/50/55/80/355505580.db2.gz DPVOUXPPTRQKNY-GFCCVEGCSA-N 1 2 254.330 0.255 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C ZINC000339750567 355505582 /nfs/dbraw/zinc/50/55/82/355505582.db2.gz DPVOUXPPTRQKNY-GFCCVEGCSA-N 1 2 254.330 0.255 20 30 CCEDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000340180891 355516881 /nfs/dbraw/zinc/51/68/81/355516881.db2.gz GNIUSGOLLDEJTJ-CQSZACIVSA-N 1 2 283.335 0.916 20 30 CCEDLO Cc1cc(N2CCC(CS(N)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000425219489 235274560 /nfs/dbraw/zinc/27/45/60/235274560.db2.gz APHMXJMCTWJXNZ-UHFFFAOYSA-N 1 2 294.380 0.767 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000352634652 356036648 /nfs/dbraw/zinc/03/66/48/356036648.db2.gz CHTKOUSWMAJAJZ-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000352634652 356036649 /nfs/dbraw/zinc/03/66/49/356036649.db2.gz CHTKOUSWMAJAJZ-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO CNC(=O)[C@@H](CCSC)[NH2+]Cc1nc(C#N)cs1 ZINC000352899150 356106309 /nfs/dbraw/zinc/10/63/09/356106309.db2.gz QHLFSDFIJKHXBP-SECBINFHSA-N 1 2 284.410 0.972 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCn4cnnc4C3)n2c1 ZINC000353648847 356265597 /nfs/dbraw/zinc/26/55/97/356265597.db2.gz VWLIMWBHDJOFNN-UHFFFAOYSA-N 1 2 279.307 0.813 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273748766 192289494 /nfs/dbraw/zinc/28/94/94/192289494.db2.gz WUSVCLGVERKIFV-SFYZADRCSA-N 1 2 297.384 0.897 20 30 CCEDLO C[C@@](O)(C[NH+]1CCN(CCC#N)CC1)C(F)(F)F ZINC000619621079 366303197 /nfs/dbraw/zinc/30/31/97/366303197.db2.gz VKNWPHCFIZIUMG-SNVBAGLBSA-N 1 2 265.279 0.831 20 30 CCEDLO CCN(C)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539129 363503595 /nfs/dbraw/zinc/50/35/95/363503595.db2.gz TYTGRIBXONAGDG-CYBMUJFWSA-N 1 2 266.389 0.630 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCN1CCCC1=O ZINC000610392087 363554346 /nfs/dbraw/zinc/55/43/46/363554346.db2.gz HLFFEHJZTQUGJK-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO COCC[N@H+](CCC#N)CCCN1CCCC1=O ZINC000610392087 363554349 /nfs/dbraw/zinc/55/43/49/363554349.db2.gz HLFFEHJZTQUGJK-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000619721827 366340491 /nfs/dbraw/zinc/34/04/91/366340491.db2.gz INLCBQXYYNOXLM-RKDXNWHRSA-N 1 2 294.273 0.714 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000619721827 366340495 /nfs/dbraw/zinc/34/04/95/366340495.db2.gz INLCBQXYYNOXLM-RKDXNWHRSA-N 1 2 294.273 0.714 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000619715793 366332324 /nfs/dbraw/zinc/33/23/24/366332324.db2.gz QLZVNAQKOCSIQM-ZDUSSCGKSA-N 1 2 279.340 0.828 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000619715995 366332740 /nfs/dbraw/zinc/33/27/40/366332740.db2.gz GZFZRYDAMCMQSF-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000619717436 366335401 /nfs/dbraw/zinc/33/54/01/366335401.db2.gz INTMVFWWSOSMBQ-GFCCVEGCSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@H](N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)OC ZINC000619722057 366342421 /nfs/dbraw/zinc/34/24/21/366342421.db2.gz WUPKGNQPAGLKBZ-BFHYXJOUSA-N 1 2 282.384 0.947 20 30 CCEDLO CCN1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000619856066 366362903 /nfs/dbraw/zinc/36/29/03/366362903.db2.gz KRXAALULQVGOLU-OLZOCXBDSA-N 1 2 286.335 0.295 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000361080856 357043696 /nfs/dbraw/zinc/04/36/96/357043696.db2.gz URTLAGNQYZKZRK-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000361080856 357043701 /nfs/dbraw/zinc/04/37/01/357043701.db2.gz URTLAGNQYZKZRK-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000361080857 357044403 /nfs/dbraw/zinc/04/44/03/357044403.db2.gz URTLAGNQYZKZRK-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000361080857 357044406 /nfs/dbraw/zinc/04/44/06/357044406.db2.gz URTLAGNQYZKZRK-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364201167 357096058 /nfs/dbraw/zinc/09/60/58/357096058.db2.gz BNQILRSOKVQZIO-WCFLWFBJSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364201167 357096061 /nfs/dbraw/zinc/09/60/61/357096061.db2.gz BNQILRSOKVQZIO-WCFLWFBJSA-N 1 2 289.335 0.313 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000610563246 363578138 /nfs/dbraw/zinc/57/81/38/363578138.db2.gz XIBPJXPLLLTDSX-UHFFFAOYSA-N 1 2 299.338 0.779 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000294611142 199106781 /nfs/dbraw/zinc/10/67/81/199106781.db2.gz ODIFPJRDAWTAAT-AAEUAGOBSA-N 1 2 268.357 0.693 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000294680086 199131213 /nfs/dbraw/zinc/13/12/13/199131213.db2.gz WQRIQHBBWQNLGA-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)cc[nH+]1 ZINC000450601433 358256725 /nfs/dbraw/zinc/25/67/25/358256725.db2.gz PMXPMLKIJZVHBM-XHDPSFHLSA-N 1 2 285.351 0.983 20 30 CCEDLO CCC(=O)N1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220993 358557060 /nfs/dbraw/zinc/55/70/60/358557060.db2.gz YGVJDSUZZJQLEL-FZMZJTMJSA-N 1 2 280.372 0.205 20 30 CCEDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220500 358557151 /nfs/dbraw/zinc/55/71/51/358557151.db2.gz PPMPACRPSCOIRB-CYBMUJFWSA-N 1 2 291.311 0.872 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610924378 363631239 /nfs/dbraw/zinc/63/12/39/363631239.db2.gz VHDHAXQVIIJGFH-LLVKDONJSA-N 1 2 269.370 0.176 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587051333 359298754 /nfs/dbraw/zinc/29/87/54/359298754.db2.gz LNBYTEFHRMRRRL-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000587877925 359302001 /nfs/dbraw/zinc/30/20/01/359302001.db2.gz QRZBHHSQLQRCID-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000587877925 359302006 /nfs/dbraw/zinc/30/20/06/359302006.db2.gz QRZBHHSQLQRCID-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589608997 359392326 /nfs/dbraw/zinc/39/23/26/359392326.db2.gz ZXHJBGCHDYILII-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C=C[C@@H]([NH2+]C[C@H]1CC(=O)N(CCC)C1)C(=O)OC ZINC000591495692 359598274 /nfs/dbraw/zinc/59/82/74/359598274.db2.gz LNCRDYOIVNGHCZ-GHMZBOCLSA-N 1 2 254.330 0.562 20 30 CCEDLO COC[C@]1(C(N)=O)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000591628448 359616901 /nfs/dbraw/zinc/61/69/01/359616901.db2.gz NMRLBMZXSOJGKZ-ZDUSSCGKSA-N 1 2 263.297 0.618 20 30 CCEDLO COC[C@]1(C(N)=O)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000591628448 359616905 /nfs/dbraw/zinc/61/69/05/359616905.db2.gz NMRLBMZXSOJGKZ-ZDUSSCGKSA-N 1 2 263.297 0.618 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000591725377 359647634 /nfs/dbraw/zinc/64/76/34/359647634.db2.gz VLXBXQLEFBGNPZ-LBPRGKRZSA-N 1 2 292.364 0.867 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000591977332 359717870 /nfs/dbraw/zinc/71/78/70/359717870.db2.gz WHNWGIWMOKFNSP-AWEZNQCLSA-N 1 2 289.339 0.168 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000591977332 359717873 /nfs/dbraw/zinc/71/78/73/359717873.db2.gz WHNWGIWMOKFNSP-AWEZNQCLSA-N 1 2 289.339 0.168 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000591973960 359716620 /nfs/dbraw/zinc/71/66/20/359716620.db2.gz LJPBEQLDEGHTDL-ZDUSSCGKSA-N 1 2 259.313 0.906 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000591973960 359716624 /nfs/dbraw/zinc/71/66/24/359716624.db2.gz LJPBEQLDEGHTDL-ZDUSSCGKSA-N 1 2 259.313 0.906 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CC23CCC3)c1C#N ZINC000611166605 363669680 /nfs/dbraw/zinc/66/96/80/363669680.db2.gz VLTMUEUMLHMEDF-LLVKDONJSA-N 1 2 287.367 0.984 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(CCC#N)CC1 ZINC000611175678 363672556 /nfs/dbraw/zinc/67/25/56/363672556.db2.gz GENGEXVYPJZMEI-KGLIPLIRSA-N 1 2 294.399 0.201 20 30 CCEDLO CCNC(=O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000592499918 359861603 /nfs/dbraw/zinc/86/16/03/359861603.db2.gz DARCAOORGJBDSV-UHFFFAOYSA-N 1 2 272.312 0.169 20 30 CCEDLO CCNC(=O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000592499918 359861607 /nfs/dbraw/zinc/86/16/07/359861607.db2.gz DARCAOORGJBDSV-UHFFFAOYSA-N 1 2 272.312 0.169 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]4C(=O)NC[C@H]43)cnc12 ZINC000592510079 359866458 /nfs/dbraw/zinc/86/64/58/359866458.db2.gz RHJPNUJJXZIKIA-CHWSQXEVSA-N 1 2 296.334 0.311 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)cnc12 ZINC000592510079 359866463 /nfs/dbraw/zinc/86/64/63/359866463.db2.gz RHJPNUJJXZIKIA-CHWSQXEVSA-N 1 2 296.334 0.311 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000592524770 359870107 /nfs/dbraw/zinc/87/01/07/359870107.db2.gz ZYDXWDDCMAMMBM-HNNXBMFYSA-N 1 2 287.367 0.927 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000592524770 359870113 /nfs/dbraw/zinc/87/01/13/359870113.db2.gz ZYDXWDDCMAMMBM-HNNXBMFYSA-N 1 2 287.367 0.927 20 30 CCEDLO COCc1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154881 360048817 /nfs/dbraw/zinc/04/88/17/360048817.db2.gz OUTDUIMAZMJEDO-AWEZNQCLSA-N 1 2 276.340 0.802 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000593058276 360023222 /nfs/dbraw/zinc/02/32/22/360023222.db2.gz KTVGLPPXHXSALU-RYUDHWBXSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000593058276 360023226 /nfs/dbraw/zinc/02/32/26/360023226.db2.gz KTVGLPPXHXSALU-RYUDHWBXSA-N 1 2 283.372 0.888 20 30 CCEDLO N#CC1(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)CCCC1 ZINC000593231785 360053823 /nfs/dbraw/zinc/05/38/23/360053823.db2.gz JCWNGVZPLUANIW-NSHDSACASA-N 1 2 287.323 0.957 20 30 CCEDLO N#CC1(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CCCC1 ZINC000593231785 360053827 /nfs/dbraw/zinc/05/38/27/360053827.db2.gz JCWNGVZPLUANIW-NSHDSACASA-N 1 2 287.323 0.957 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)n2c1 ZINC000593689906 360136295 /nfs/dbraw/zinc/13/62/95/360136295.db2.gz YWAJOCFGDIXNGB-LOOLNKMNSA-N 1 2 286.360 0.911 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)n2c1 ZINC000593689906 360136298 /nfs/dbraw/zinc/13/62/98/360136298.db2.gz YWAJOCFGDIXNGB-LOOLNKMNSA-N 1 2 286.360 0.911 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3C[C@@H]4C[C@H]3C[S@@]4=O)n2c1 ZINC000593689906 360136301 /nfs/dbraw/zinc/13/63/01/360136301.db2.gz YWAJOCFGDIXNGB-LOOLNKMNSA-N 1 2 286.360 0.911 20 30 CCEDLO C#CCNC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000176923176 189014902 /nfs/dbraw/zinc/01/49/02/189014902.db2.gz CTQVHCZXAQHISH-SNVBAGLBSA-N 1 2 266.370 0.438 20 30 CCEDLO N#Cc1csc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593853007 360177410 /nfs/dbraw/zinc/17/74/10/360177410.db2.gz AJTZLQDLFLDYDI-LLVKDONJSA-N 1 2 277.349 0.511 20 30 CCEDLO N#Cc1csc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593853007 360177412 /nfs/dbraw/zinc/17/74/12/360177412.db2.gz AJTZLQDLFLDYDI-LLVKDONJSA-N 1 2 277.349 0.511 20 30 CCEDLO N#CCC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000594587758 360335501 /nfs/dbraw/zinc/33/55/01/360335501.db2.gz ZJJDNNXFEYZOII-UHFFFAOYSA-N 1 2 297.322 0.225 20 30 CCEDLO C[N@H+](CCO)Cc1cn(-c2cccc(C#N)c2)nn1 ZINC000594651815 360350993 /nfs/dbraw/zinc/35/09/93/360350993.db2.gz LFLUXAFXSYECCI-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(-c2cccc(C#N)c2)nn1 ZINC000594651815 360351000 /nfs/dbraw/zinc/35/10/00/360351000.db2.gz LFLUXAFXSYECCI-UHFFFAOYSA-N 1 2 257.297 0.563 20 30 CCEDLO COc1c(C)[nH+]cnc1NCCCc1[nH]nc(N)c1C#N ZINC000594543742 360327906 /nfs/dbraw/zinc/32/79/06/360327906.db2.gz MCJMTWMBTDJWMQ-UHFFFAOYSA-N 1 2 287.327 0.268 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(=O)OC ZINC000594710363 360363853 /nfs/dbraw/zinc/36/38/53/360363853.db2.gz ICZCSTBUBNYSFL-TUAOUCFPSA-N 1 2 256.346 0.413 20 30 CCEDLO C=C[C@H](NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(=O)OC ZINC000594710363 360363860 /nfs/dbraw/zinc/36/38/60/360363860.db2.gz ICZCSTBUBNYSFL-TUAOUCFPSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836181 360674926 /nfs/dbraw/zinc/67/49/26/360674926.db2.gz XCIXAPNVJVGFGW-MFKMUULPSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836181 360674928 /nfs/dbraw/zinc/67/49/28/360674928.db2.gz XCIXAPNVJVGFGW-MFKMUULPSA-N 1 2 264.329 0.622 20 30 CCEDLO N#Cc1csc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178729883 189141231 /nfs/dbraw/zinc/14/12/31/189141231.db2.gz AUBQMCLWXNQZHV-LLVKDONJSA-N 1 2 276.365 0.349 20 30 CCEDLO N#Cc1cnnc(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000596073746 360788754 /nfs/dbraw/zinc/78/87/54/360788754.db2.gz UJNRAUWMWUKQEX-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000596452749 360899478 /nfs/dbraw/zinc/89/94/78/360899478.db2.gz GAHWRQXZFWBMDT-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000596452749 360899481 /nfs/dbraw/zinc/89/94/81/360899481.db2.gz GAHWRQXZFWBMDT-NEPJUHHUSA-N 1 2 290.367 0.736 20 30 CCEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)NCC#N)C2 ZINC000596599164 360927987 /nfs/dbraw/zinc/92/79/87/360927987.db2.gz QUDOWNUDCLAWJW-UHFFFAOYSA-N 1 2 275.356 0.444 20 30 CCEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)NCC#N)C2 ZINC000596599164 360927993 /nfs/dbraw/zinc/92/79/93/360927993.db2.gz QUDOWNUDCLAWJW-UHFFFAOYSA-N 1 2 275.356 0.444 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597273349 361047679 /nfs/dbraw/zinc/04/76/79/361047679.db2.gz DQJZUTMFTODTDL-LLVKDONJSA-N 1 2 273.340 0.182 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597273349 361047682 /nfs/dbraw/zinc/04/76/82/361047682.db2.gz DQJZUTMFTODTDL-LLVKDONJSA-N 1 2 273.340 0.182 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597755425 361236693 /nfs/dbraw/zinc/23/66/93/361236693.db2.gz UERMXRKZUPDDLX-JTQLQIEISA-N 1 2 262.313 0.513 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597755425 361236696 /nfs/dbraw/zinc/23/66/96/361236696.db2.gz UERMXRKZUPDDLX-JTQLQIEISA-N 1 2 262.313 0.513 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000597772395 361239621 /nfs/dbraw/zinc/23/96/21/361239621.db2.gz CRCNBLOAIYFMRO-GFCCVEGCSA-N 1 2 283.372 0.342 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597993511 361302312 /nfs/dbraw/zinc/30/23/12/361302312.db2.gz GDZOAEWUPCZMHV-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597993511 361302319 /nfs/dbraw/zinc/30/23/19/361302319.db2.gz GDZOAEWUPCZMHV-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CSCC#N)[C@@H](C)CO1 ZINC000597996344 361303908 /nfs/dbraw/zinc/30/39/08/361303908.db2.gz ISCIDKHXSHKRJX-QWRGUYRKSA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CSCC#N)[C@@H](C)CO1 ZINC000597996344 361303912 /nfs/dbraw/zinc/30/39/12/361303912.db2.gz ISCIDKHXSHKRJX-QWRGUYRKSA-N 1 2 271.386 0.469 20 30 CCEDLO CN(C)[C@H](C(=O)N1CC(CC#N)C1)c1c[nH+]cn1C ZINC000598023358 361317089 /nfs/dbraw/zinc/31/70/89/361317089.db2.gz UUQHOPIAAGWHDM-LBPRGKRZSA-N 1 2 261.329 0.395 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)N([C@H](C)C#N)C2CC2)C1 ZINC000598127879 361339853 /nfs/dbraw/zinc/33/98/53/361339853.db2.gz DSMVXYZOGOVVER-ZYHUDNBSSA-N 1 2 251.330 0.610 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)N([C@H](C)C#N)C2CC2)C1 ZINC000598127879 361339857 /nfs/dbraw/zinc/33/98/57/361339857.db2.gz DSMVXYZOGOVVER-ZYHUDNBSSA-N 1 2 251.330 0.610 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000184086044 189376116 /nfs/dbraw/zinc/37/61/16/189376116.db2.gz XLKJMQIDMBUVDV-UONOGXRCSA-N 1 2 289.335 0.038 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000184086044 189376117 /nfs/dbraw/zinc/37/61/17/189376117.db2.gz XLKJMQIDMBUVDV-UONOGXRCSA-N 1 2 289.335 0.038 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2n1CCC2 ZINC000598836373 361523157 /nfs/dbraw/zinc/52/31/57/361523157.db2.gz HVEDPAPQMHABCT-CYBMUJFWSA-N 1 2 261.329 0.403 20 30 CCEDLO COc1cc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000598836908 361523578 /nfs/dbraw/zinc/52/35/78/361523578.db2.gz RVHPIYBDQPYUOG-ZDUSSCGKSA-N 1 2 280.328 0.576 20 30 CCEDLO CCCn1nccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598837637 361523768 /nfs/dbraw/zinc/52/37/68/361523768.db2.gz XNGRSYFVKWCJMH-ZDUSSCGKSA-N 1 2 263.345 0.867 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599160479 361592900 /nfs/dbraw/zinc/59/29/00/361592900.db2.gz JTWSUPYGIVSBPS-NSHDSACASA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599160479 361592901 /nfs/dbraw/zinc/59/29/01/361592901.db2.gz JTWSUPYGIVSBPS-NSHDSACASA-N 1 2 277.284 0.604 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC1(O)CCC1 ZINC000599308233 361646178 /nfs/dbraw/zinc/64/61/78/361646178.db2.gz RJRFWBBOIBEDSN-LBPRGKRZSA-N 1 2 256.346 0.514 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCC1 ZINC000599308233 361646184 /nfs/dbraw/zinc/64/61/84/361646184.db2.gz RJRFWBBOIBEDSN-LBPRGKRZSA-N 1 2 256.346 0.514 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)nc1 ZINC000599512045 361724714 /nfs/dbraw/zinc/72/47/14/361724714.db2.gz XTHMWLTUAZKFHR-UHFFFAOYSA-N 1 2 281.323 0.460 20 30 CCEDLO Cc1cn2c([nH+]1)CN(C(=O)CNc1ccc(C#N)cn1)CC2 ZINC000611894104 363803518 /nfs/dbraw/zinc/80/35/18/363803518.db2.gz XENZATFVDXKBHO-UHFFFAOYSA-N 1 2 296.334 0.334 20 30 CCEDLO C[C@@]1(C#N)CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000612164953 363858546 /nfs/dbraw/zinc/85/85/46/363858546.db2.gz HFWMAFDNFLHUOV-LBPRGKRZSA-N 1 2 271.386 0.648 20 30 CCEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000612164953 363858549 /nfs/dbraw/zinc/85/85/49/363858549.db2.gz HFWMAFDNFLHUOV-LBPRGKRZSA-N 1 2 271.386 0.648 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)CC1(C#N)CC1)CC2 ZINC000613275240 364194139 /nfs/dbraw/zinc/19/41/39/364194139.db2.gz WFYVNEBCJGKIJV-UHFFFAOYSA-N 1 2 280.353 0.641 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1ncncc1C#N ZINC000564893956 291311594 /nfs/dbraw/zinc/31/15/94/291311594.db2.gz WYNJGYWXQBCWCK-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1ncncc1C#N ZINC000564893956 291311596 /nfs/dbraw/zinc/31/15/96/291311596.db2.gz WYNJGYWXQBCWCK-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613863824 364417187 /nfs/dbraw/zinc/41/71/87/364417187.db2.gz RLVQAENQBNJELF-CHWSQXEVSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613863824 364417190 /nfs/dbraw/zinc/41/71/90/364417190.db2.gz RLVQAENQBNJELF-CHWSQXEVSA-N 1 2 254.330 0.926 20 30 CCEDLO C=C[C@@H](O)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000614576458 364665935 /nfs/dbraw/zinc/66/59/35/364665935.db2.gz HZQKHGLEMWLHDE-CYBMUJFWSA-N 1 2 289.339 0.192 20 30 CCEDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000615798695 365093050 /nfs/dbraw/zinc/09/30/50/365093050.db2.gz MNLHPMVVHNHGPE-LBPRGKRZSA-N 1 2 287.367 0.958 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000615824061 365096369 /nfs/dbraw/zinc/09/63/69/365096369.db2.gz AMOVNDONIHOBQH-ZWNOBZJWSA-N 1 2 262.288 0.910 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616100423 365177355 /nfs/dbraw/zinc/17/73/55/365177355.db2.gz IVWYENOVDRSUKF-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](Cc3cn[nH]c3)CC2)c1C#N ZINC000615968149 365140824 /nfs/dbraw/zinc/14/08/24/365140824.db2.gz HFLSYWDTLQTNQP-UHFFFAOYSA-N 1 2 285.355 0.646 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623986241 367717697 /nfs/dbraw/zinc/71/76/97/367717697.db2.gz QOWJRQMRFJQNDH-MJBXVCDLSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623986241 367717700 /nfs/dbraw/zinc/71/77/00/367717700.db2.gz QOWJRQMRFJQNDH-MJBXVCDLSA-N 1 2 297.399 0.597 20 30 CCEDLO C=CCCCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632227040 370931047 /nfs/dbraw/zinc/93/10/47/370931047.db2.gz NAWMSDIOLZMZJD-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632227040 370931050 /nfs/dbraw/zinc/93/10/50/370931050.db2.gz NAWMSDIOLZMZJD-LBPRGKRZSA-N 1 2 276.402 0.593 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1F ZINC000330637182 203064380 /nfs/dbraw/zinc/06/43/80/203064380.db2.gz FQAOKHSPCOHLGD-UHFFFAOYSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CC(C)(C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632589716 371166551 /nfs/dbraw/zinc/16/65/51/371166551.db2.gz WDJFTGAOPUKKBX-LBPRGKRZSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CC(C)(C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632589716 371166563 /nfs/dbraw/zinc/16/65/63/371166563.db2.gz WDJFTGAOPUKKBX-LBPRGKRZSA-N 1 2 290.429 0.839 20 30 CCEDLO C#C[C@H](NC(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000491802154 332356301 /nfs/dbraw/zinc/35/63/01/332356301.db2.gz FLVJFMNAAJIILN-LBPRGKRZSA-N 1 2 253.346 0.276 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000490996980 261290728 /nfs/dbraw/zinc/29/07/28/261290728.db2.gz QWDYQOJVWVPACN-CHWSQXEVSA-N 1 2 266.389 0.189 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCNC(=O)C(C)C)nn1 ZINC000656442387 412796629 /nfs/dbraw/zinc/79/66/29/412796629.db2.gz MKPRLMUUKFJQPV-UHFFFAOYSA-N 1 2 263.345 0.163 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccon1 ZINC000574445127 335020102 /nfs/dbraw/zinc/02/01/02/335020102.db2.gz QSTSLNCHCJCDBQ-GHMZBOCLSA-N 1 2 252.318 0.532 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccon1 ZINC000574445127 335020103 /nfs/dbraw/zinc/02/01/03/335020103.db2.gz QSTSLNCHCJCDBQ-GHMZBOCLSA-N 1 2 252.318 0.532 20 30 CCEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637948074 374500711 /nfs/dbraw/zinc/50/07/11/374500711.db2.gz GRHUVAPUOADGKG-VIFPVBQESA-N 1 2 293.289 0.384 20 30 CCEDLO C=CCCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638009858 374555048 /nfs/dbraw/zinc/55/50/48/374555048.db2.gz GVBIZTLWEDKLGH-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC(C)(C)C)nn1 ZINC000640882756 376596482 /nfs/dbraw/zinc/59/64/82/376596482.db2.gz VADMCUYOYMKDLV-NSHDSACASA-N 1 2 277.372 0.867 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(CC)o2)nn1 ZINC000641056260 376723850 /nfs/dbraw/zinc/72/38/50/376723850.db2.gz CATOTPCEJBCYKJ-UHFFFAOYSA-N 1 2 259.313 0.990 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)nc2)nn1 ZINC000641057734 376728616 /nfs/dbraw/zinc/72/86/16/376728616.db2.gz VVXSKCOJQILNMI-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOC[C@H]2CCCO2)nn1 ZINC000641060772 376730815 /nfs/dbraw/zinc/73/08/15/376730815.db2.gz UDTTUVBROVHPIZ-CQSZACIVSA-N 1 2 278.356 0.587 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2snnc2C)nn1 ZINC000641050603 376715985 /nfs/dbraw/zinc/71/59/85/376715985.db2.gz BMJJCICKVNSHTH-UHFFFAOYSA-N 1 2 262.342 0.599 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](COC)OC)nn1 ZINC000641102541 376783897 /nfs/dbraw/zinc/78/38/97/376783897.db2.gz CDQSHSVTKWJWPX-GFCCVEGCSA-N 1 2 252.318 0.052 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(C)C)C2=O)nn1 ZINC000641117106 376795444 /nfs/dbraw/zinc/79/54/44/376795444.db2.gz HIEJDUAGPSXRMK-AWEZNQCLSA-N 1 2 289.383 0.963 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)C[C@@](C)(O)C2CC2)nn1 ZINC000641232726 376932911 /nfs/dbraw/zinc/93/29/11/376932911.db2.gz RXGCEPVGOBQEPK-LSDHHAIUSA-N 1 2 292.383 0.303 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459631166 249048617 /nfs/dbraw/zinc/04/86/17/249048617.db2.gz JLHIYNFDYCKQHZ-AWEZNQCLSA-N 1 2 291.307 0.786 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459631166 249048619 /nfs/dbraw/zinc/04/86/19/249048619.db2.gz JLHIYNFDYCKQHZ-AWEZNQCLSA-N 1 2 291.307 0.786 20 30 CCEDLO C#CCSCCNC(=O)NCc1[nH+]ccn1C ZINC000265739785 190203217 /nfs/dbraw/zinc/20/32/17/190203217.db2.gz DSKRFNFSSIJLIH-UHFFFAOYSA-N 1 2 252.343 0.586 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000266285233 190245910 /nfs/dbraw/zinc/24/59/10/190245910.db2.gz HVECCOMHJQHDMV-DCAQKATOSA-N 1 2 269.345 0.401 20 30 CCEDLO C=CCCCC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000267172192 190308677 /nfs/dbraw/zinc/30/86/77/190308677.db2.gz MCLKGQLHAOCRCT-UHFFFAOYSA-N 1 2 298.383 0.677 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC000267251054 190314939 /nfs/dbraw/zinc/31/49/39/190314939.db2.gz LFRDEGUYTBRDHN-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC000267251054 190314940 /nfs/dbraw/zinc/31/49/40/190314940.db2.gz LFRDEGUYTBRDHN-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)NCC(F)(F)F)nn1 ZINC000657314720 412958536 /nfs/dbraw/zinc/95/85/36/412958536.db2.gz BPSGWNVETFLBDW-UHFFFAOYSA-N 1 2 291.277 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000024734592 388810227 /nfs/dbraw/zinc/81/02/27/388810227.db2.gz BCVSDYDUOVZTRR-JTQLQIEISA-N 1 2 298.387 0.233 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000024734592 388810230 /nfs/dbraw/zinc/81/02/30/388810230.db2.gz BCVSDYDUOVZTRR-JTQLQIEISA-N 1 2 298.387 0.233 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000184442018 388774555 /nfs/dbraw/zinc/77/45/55/388774555.db2.gz AAKQPJFHBNTMTH-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000025621434 388816609 /nfs/dbraw/zinc/81/66/09/388816609.db2.gz DBULUYOLFBJQKZ-MRVPVSSYSA-N 1 2 295.368 0.860 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000286767407 388845238 /nfs/dbraw/zinc/84/52/38/388845238.db2.gz WBNNPSUPQYGBIT-UHFFFAOYSA-N 1 2 296.396 0.058 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000049000630 388912931 /nfs/dbraw/zinc/91/29/31/388912931.db2.gz LIYHTNDFHXOMKV-SNVBAGLBSA-N 1 2 254.334 0.704 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000049000630 388912933 /nfs/dbraw/zinc/91/29/33/388912933.db2.gz LIYHTNDFHXOMKV-SNVBAGLBSA-N 1 2 254.334 0.704 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)NC(C)(C)C ZINC000052661689 388927709 /nfs/dbraw/zinc/92/77/09/388927709.db2.gz FHGNVUYAXOPQEF-NSHDSACASA-N 1 2 282.388 0.593 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000052661689 388927711 /nfs/dbraw/zinc/92/77/11/388927711.db2.gz FHGNVUYAXOPQEF-NSHDSACASA-N 1 2 282.388 0.593 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC(=O)OCC)CC(C)C ZINC000065542758 388943424 /nfs/dbraw/zinc/94/34/24/388943424.db2.gz HROZCYVKTLDNNP-UHFFFAOYSA-N 1 2 256.346 0.810 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC(=O)OCC)CC(C)C ZINC000065542758 388943425 /nfs/dbraw/zinc/94/34/25/388943425.db2.gz HROZCYVKTLDNNP-UHFFFAOYSA-N 1 2 256.346 0.810 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ncccn1 ZINC000191089591 389005796 /nfs/dbraw/zinc/00/57/96/389005796.db2.gz XKJVWJOKJYSNQA-NSHDSACASA-N 1 2 264.329 0.938 20 30 CCEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ncccn1 ZINC000191089591 389005803 /nfs/dbraw/zinc/00/58/03/389005803.db2.gz XKJVWJOKJYSNQA-NSHDSACASA-N 1 2 264.329 0.938 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337201567 389052942 /nfs/dbraw/zinc/05/29/42/389052942.db2.gz DDINTXPGORAXHA-JTQLQIEISA-N 1 2 285.706 0.742 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1=O ZINC000337207850 389056275 /nfs/dbraw/zinc/05/62/75/389056275.db2.gz PKIDJXUCMQDITP-PSASIEDQSA-N 1 2 250.302 0.816 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCC)C1=O ZINC000337236186 389056625 /nfs/dbraw/zinc/05/66/25/389056625.db2.gz XWZOUZLGTGCXEZ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCC)C1=O ZINC000337236186 389056628 /nfs/dbraw/zinc/05/66/28/389056628.db2.gz XWZOUZLGTGCXEZ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302602467 389075041 /nfs/dbraw/zinc/07/50/41/389075041.db2.gz YYNFPCANLMQSDG-SNVBAGLBSA-N 1 2 261.329 0.741 20 30 CCEDLO C=C[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302602467 389075045 /nfs/dbraw/zinc/07/50/45/389075045.db2.gz YYNFPCANLMQSDG-SNVBAGLBSA-N 1 2 261.329 0.741 20 30 CCEDLO CC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000304711136 389083197 /nfs/dbraw/zinc/08/31/97/389083197.db2.gz LZGZUPMYRSIQIY-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO CC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000304711136 389083198 /nfs/dbraw/zinc/08/31/98/389083198.db2.gz LZGZUPMYRSIQIY-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO CC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000304711136 389083200 /nfs/dbraw/zinc/08/32/00/389083200.db2.gz LZGZUPMYRSIQIY-ZDUSSCGKSA-N 1 2 255.362 0.305 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000328937827 389146682 /nfs/dbraw/zinc/14/66/82/389146682.db2.gz DBVMGHNNMQJPKC-ZJUUUORDSA-N 1 2 295.343 0.322 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000328937827 389146684 /nfs/dbraw/zinc/14/66/84/389146684.db2.gz DBVMGHNNMQJPKC-ZJUUUORDSA-N 1 2 295.343 0.322 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000108855354 389099095 /nfs/dbraw/zinc/09/90/95/389099095.db2.gz YTYBQMLGLPUIKM-CYBMUJFWSA-N 1 2 286.335 0.189 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000108855354 389099101 /nfs/dbraw/zinc/09/91/01/389099101.db2.gz YTYBQMLGLPUIKM-CYBMUJFWSA-N 1 2 286.335 0.189 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc(C)nc2)CC1 ZINC000339029135 389122563 /nfs/dbraw/zinc/12/25/63/389122563.db2.gz JMQBWOGXWNJYII-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339097430 389124704 /nfs/dbraw/zinc/12/47/04/389124704.db2.gz WYNBNEPTNLEKHQ-LLVKDONJSA-N 1 2 260.359 0.426 20 30 CCEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339097430 389124706 /nfs/dbraw/zinc/12/47/06/389124706.db2.gz WYNBNEPTNLEKHQ-LLVKDONJSA-N 1 2 260.359 0.426 20 30 CCEDLO CCOC(=O)[C@@H]([NH2+]CCOCCC#N)C1CCOCC1 ZINC000339090854 389124993 /nfs/dbraw/zinc/12/49/93/389124993.db2.gz YYJFLPSIENSBPM-ZDUSSCGKSA-N 1 2 284.356 0.865 20 30 CCEDLO C[C@H](C(=O)NC[C@]1(O)CCOC1)[NH+]1CCSCC1 ZINC000328776178 389136996 /nfs/dbraw/zinc/13/69/96/389136996.db2.gz KXAUSOPCAPADSL-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO CC#CC[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000119501695 389139305 /nfs/dbraw/zinc/13/93/05/389139305.db2.gz SOSBCEKIOAMIPM-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO CC#CC[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000119501695 389139309 /nfs/dbraw/zinc/13/93/09/389139309.db2.gz SOSBCEKIOAMIPM-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCOCC1 ZINC000329638309 389180265 /nfs/dbraw/zinc/18/02/65/389180265.db2.gz YYKKFFIYJPSDOT-SNVBAGLBSA-N 1 2 252.318 0.993 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329663602 389184208 /nfs/dbraw/zinc/18/42/08/389184208.db2.gz PFOVXZAEVYWKSP-WCQGTBRESA-N 1 2 264.329 0.537 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360116224 389191589 /nfs/dbraw/zinc/19/15/89/389191589.db2.gz QUFYRFWDSTUOIL-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000360116224 389191591 /nfs/dbraw/zinc/19/15/91/389191591.db2.gz QUFYRFWDSTUOIL-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C=CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361019716 389206780 /nfs/dbraw/zinc/20/67/80/389206780.db2.gz BWFAUGQCRYBXGE-LLVKDONJSA-N 1 2 291.355 0.396 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1COC[C@H]1O ZINC000329181839 389152094 /nfs/dbraw/zinc/15/20/94/389152094.db2.gz OJFBFDLFWHPUGJ-VXGBXAGGSA-N 1 2 281.356 0.861 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1COC[C@H]1O ZINC000329181839 389152097 /nfs/dbraw/zinc/15/20/97/389152097.db2.gz OJFBFDLFWHPUGJ-VXGBXAGGSA-N 1 2 281.356 0.861 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329808447 389203861 /nfs/dbraw/zinc/20/38/61/389203861.db2.gz AQRWHNHSQSOAIT-MCIONIFRSA-N 1 2 295.383 0.817 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329808447 389203864 /nfs/dbraw/zinc/20/38/64/389203864.db2.gz AQRWHNHSQSOAIT-MCIONIFRSA-N 1 2 295.383 0.817 20 30 CCEDLO Cn1nnnc1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329378961 389160806 /nfs/dbraw/zinc/16/08/06/389160806.db2.gz MUADJZYHPXHSQJ-NSHDSACASA-N 1 2 294.359 0.310 20 30 CCEDLO Cn1nnnc1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329378961 389160810 /nfs/dbraw/zinc/16/08/10/389160810.db2.gz MUADJZYHPXHSQJ-NSHDSACASA-N 1 2 294.359 0.310 20 30 CCEDLO O=C(CNC(=O)c1cnns1)NCC[NH+]1CCOCC1 ZINC000329388031 389161421 /nfs/dbraw/zinc/16/14/21/389161421.db2.gz TVGUAPJKOMZTRZ-UHFFFAOYSA-N 1 2 299.356 0.131 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@H]1CCCOC1 ZINC000329475142 389165701 /nfs/dbraw/zinc/16/57/01/389165701.db2.gz BBXNIGIGBJBHFF-MELADBBJSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@H]1CCCOC1 ZINC000329475142 389165703 /nfs/dbraw/zinc/16/57/03/389165703.db2.gz BBXNIGIGBJBHFF-MELADBBJSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000235274366 389166552 /nfs/dbraw/zinc/16/65/52/389166552.db2.gz QZNVRKWDWORDKX-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000235274366 389166554 /nfs/dbraw/zinc/16/65/54/389166554.db2.gz QZNVRKWDWORDKX-SNVBAGLBSA-N 1 2 280.353 0.278 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nn1 ZINC000329528479 389168780 /nfs/dbraw/zinc/16/87/80/389168780.db2.gz SRKODTSMXMLJOG-SNVBAGLBSA-N 1 2 264.333 0.055 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nn1 ZINC000329528479 389168782 /nfs/dbraw/zinc/16/87/82/389168782.db2.gz SRKODTSMXMLJOG-SNVBAGLBSA-N 1 2 264.333 0.055 20 30 CCEDLO CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(C)C1=O ZINC000329527834 389168820 /nfs/dbraw/zinc/16/88/20/389168820.db2.gz HYXRCYICWNOYRL-QWRGUYRKSA-N 1 2 291.355 0.274 20 30 CCEDLO Cc1[nH]c(C(=O)NC[C@H]2CCCCS2(=O)=O)c[nH+]1 ZINC000329564899 389171239 /nfs/dbraw/zinc/17/12/39/389171239.db2.gz OCGQTLWYJIMHCI-SECBINFHSA-N 1 2 271.342 0.990 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCCCO)cc1OC ZINC000127386635 389174790 /nfs/dbraw/zinc/17/47/90/389174790.db2.gz MSKPCDKICBNVIU-UHFFFAOYSA-N 1 2 254.286 0.723 20 30 CCEDLO Cc1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000330555255 389240817 /nfs/dbraw/zinc/24/08/17/389240817.db2.gz ZGDUVBAZLJGITH-AWEZNQCLSA-N 1 2 297.355 0.679 20 30 CCEDLO CC1CCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)CC1 ZINC000330614951 389246499 /nfs/dbraw/zinc/24/64/99/389246499.db2.gz BWIQYFYHVGWMCE-UHFFFAOYSA-N 1 2 284.404 0.652 20 30 CCEDLO CC1CCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC1 ZINC000330614951 389246501 /nfs/dbraw/zinc/24/65/01/389246501.db2.gz BWIQYFYHVGWMCE-UHFFFAOYSA-N 1 2 284.404 0.652 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248622361 389247460 /nfs/dbraw/zinc/24/74/60/389247460.db2.gz MEBBBCPPJXLITN-RDBSUJKOSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248622361 389247462 /nfs/dbraw/zinc/24/74/62/389247462.db2.gz MEBBBCPPJXLITN-RDBSUJKOSA-N 1 2 297.399 0.466 20 30 CCEDLO C=CCCS(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363709481 389253149 /nfs/dbraw/zinc/25/31/49/389253149.db2.gz KHGFUAGMEKHAES-UHFFFAOYSA-N 1 2 255.343 0.913 20 30 CCEDLO COC(=O)CN(CC[NH+]1CCOCC1)CC1(C#N)CC1 ZINC000343324888 389265103 /nfs/dbraw/zinc/26/51/03/389265103.db2.gz YNBZEWGMXYYCBC-UHFFFAOYSA-N 1 2 281.356 0.097 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C(F)F)CC2)C1 ZINC000329893810 389209821 /nfs/dbraw/zinc/20/98/21/389209821.db2.gz AZANIUGLJWDMQR-VIFPVBQESA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C(F)F)CC2)C1 ZINC000329893810 389209822 /nfs/dbraw/zinc/20/98/22/389209822.db2.gz AZANIUGLJWDMQR-VIFPVBQESA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nc3cccnc3[nH]2)C1 ZINC000330210266 389218747 /nfs/dbraw/zinc/21/87/47/389218747.db2.gz CFUWKURNSFZBJQ-SECBINFHSA-N 1 2 261.285 0.877 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2nc3cccnc3[nH]2)C1 ZINC000330210266 389218749 /nfs/dbraw/zinc/21/87/49/389218749.db2.gz CFUWKURNSFZBJQ-SECBINFHSA-N 1 2 261.285 0.877 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330280316 389219601 /nfs/dbraw/zinc/21/96/01/389219601.db2.gz SFTPEWUPTYXBIL-MFKMUULPSA-N 1 2 264.329 0.881 20 30 CCEDLO C[C@]1(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330280316 389219604 /nfs/dbraw/zinc/21/96/04/389219604.db2.gz SFTPEWUPTYXBIL-MFKMUULPSA-N 1 2 264.329 0.881 20 30 CCEDLO CC[C@@H](CC#N)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361814055 389225017 /nfs/dbraw/zinc/22/50/17/389225017.db2.gz LVZIOPBWSDBMEV-LBPRGKRZSA-N 1 2 289.401 0.320 20 30 CCEDLO CCn1nncc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330414781 389226914 /nfs/dbraw/zinc/22/69/14/389226914.db2.gz AEXIIIYRSIVJPA-UHFFFAOYSA-N 1 2 281.360 0.713 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000330495283 389235731 /nfs/dbraw/zinc/23/57/31/389235731.db2.gz QRLHUJBAWKZSEF-TZMCWYRMSA-N 1 2 273.336 0.916 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000330495283 389235734 /nfs/dbraw/zinc/23/57/34/389235734.db2.gz QRLHUJBAWKZSEF-TZMCWYRMSA-N 1 2 273.336 0.916 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc[nH]c(=O)c1 ZINC000330513706 389237125 /nfs/dbraw/zinc/23/71/25/389237125.db2.gz GRNDHVCXJVNPNH-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc[nH]c(=O)c1 ZINC000330513706 389237126 /nfs/dbraw/zinc/23/71/26/389237126.db2.gz GRNDHVCXJVNPNH-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO COC(=O)[C@H]1CN(C([O-])=[NH+]CCCn2cc[nH+]c2)CCO1 ZINC000330519628 389237660 /nfs/dbraw/zinc/23/76/60/389237660.db2.gz HPJQTQKGTOWZCS-LLVKDONJSA-N 1 2 296.327 0.061 20 30 CCEDLO COC(=O)[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000330519628 389237663 /nfs/dbraw/zinc/23/76/63/389237663.db2.gz HPJQTQKGTOWZCS-LLVKDONJSA-N 1 2 296.327 0.061 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000331656181 389310071 /nfs/dbraw/zinc/31/00/71/389310071.db2.gz POOKQESYJGPICR-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000331656181 389310075 /nfs/dbraw/zinc/31/00/75/389310075.db2.gz POOKQESYJGPICR-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO CC(C)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346958665 389343002 /nfs/dbraw/zinc/34/30/02/389343002.db2.gz JJVQBYJKQGAJHQ-LBPRGKRZSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346958665 389343004 /nfs/dbraw/zinc/34/30/04/389343004.db2.gz JJVQBYJKQGAJHQ-LBPRGKRZSA-N 1 2 265.357 0.906 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000331969521 389318054 /nfs/dbraw/zinc/31/80/54/389318054.db2.gz LFULKKKAYADKIT-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000331969521 389318055 /nfs/dbraw/zinc/31/80/55/389318055.db2.gz LFULKKKAYADKIT-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000346572322 389332691 /nfs/dbraw/zinc/33/26/91/389332691.db2.gz NWXKZKOBGCFVJZ-UHFFFAOYSA-N 1 2 263.297 0.925 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000346572322 389332694 /nfs/dbraw/zinc/33/26/94/389332694.db2.gz NWXKZKOBGCFVJZ-UHFFFAOYSA-N 1 2 263.297 0.925 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000364746180 389273119 /nfs/dbraw/zinc/27/31/19/389273119.db2.gz LUZBZHHXUJQNOS-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000364746180 389273121 /nfs/dbraw/zinc/27/31/21/389273121.db2.gz LUZBZHHXUJQNOS-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[N@@H+]1CCO ZINC000408372754 389342460 /nfs/dbraw/zinc/34/24/60/389342460.db2.gz DJZVWKIMSBHDRK-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[N@H+]1CCO ZINC000408372754 389342464 /nfs/dbraw/zinc/34/24/64/389342464.db2.gz DJZVWKIMSBHDRK-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000348474174 389379136 /nfs/dbraw/zinc/37/91/36/389379136.db2.gz OMPLNEQZGURVRU-JOYOIKCWSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000348474174 389379139 /nfs/dbraw/zinc/37/91/39/389379139.db2.gz OMPLNEQZGURVRU-JOYOIKCWSA-N 1 2 290.323 0.390 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421029648 389348626 /nfs/dbraw/zinc/34/86/26/389348626.db2.gz XKKARMWOCHIKSJ-GXTWGEPZSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421029648 389348629 /nfs/dbraw/zinc/34/86/29/389348629.db2.gz XKKARMWOCHIKSJ-GXTWGEPZSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)n1 ZINC000348095177 389365053 /nfs/dbraw/zinc/36/50/53/389365053.db2.gz JLTGSLFYKYAPFQ-JTQLQIEISA-N 1 2 290.327 0.685 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413237709 389483261 /nfs/dbraw/zinc/48/32/61/389483261.db2.gz XUPVGVKAFQINHR-QWRGUYRKSA-N 1 2 266.345 0.288 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413237709 389483264 /nfs/dbraw/zinc/48/32/64/389483264.db2.gz XUPVGVKAFQINHR-QWRGUYRKSA-N 1 2 266.345 0.288 20 30 CCEDLO C=CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000371678031 389436588 /nfs/dbraw/zinc/43/65/88/389436588.db2.gz XLFXIBXDTQMINS-CQSZACIVSA-N 1 2 297.399 0.695 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333689939 389440107 /nfs/dbraw/zinc/44/01/07/389440107.db2.gz FYLDUHOQTMFKNA-YNEHKIRRSA-N 1 2 279.388 0.224 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333689939 389440110 /nfs/dbraw/zinc/44/01/10/389440110.db2.gz FYLDUHOQTMFKNA-YNEHKIRRSA-N 1 2 279.388 0.224 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H](C)C(=O)OCC ZINC000411646569 389440946 /nfs/dbraw/zinc/44/09/46/389440946.db2.gz QCLUNWBAJFTJNA-LLVKDONJSA-N 1 2 299.371 0.662 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H](C)C(=O)OCC ZINC000411646569 389440947 /nfs/dbraw/zinc/44/09/47/389440947.db2.gz QCLUNWBAJFTJNA-LLVKDONJSA-N 1 2 299.371 0.662 20 30 CCEDLO N#CCC[N@@H+](CCCC(=O)NC(N)=O)Cc1ccco1 ZINC000176294535 389556546 /nfs/dbraw/zinc/55/65/46/389556546.db2.gz YSSKVTXCJCHBLM-UHFFFAOYSA-N 1 2 278.312 0.970 20 30 CCEDLO N#CCC[N@H+](CCCC(=O)NC(N)=O)Cc1ccco1 ZINC000176294535 389556550 /nfs/dbraw/zinc/55/65/50/389556550.db2.gz YSSKVTXCJCHBLM-UHFFFAOYSA-N 1 2 278.312 0.970 20 30 CCEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(N)=O ZINC000173553075 389504850 /nfs/dbraw/zinc/50/48/50/389504850.db2.gz LPOWMZRLFVHIFV-UHFFFAOYSA-N 1 2 254.334 0.833 20 30 CCEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(N)=O ZINC000173553075 389504853 /nfs/dbraw/zinc/50/48/53/389504853.db2.gz LPOWMZRLFVHIFV-UHFFFAOYSA-N 1 2 254.334 0.833 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C(C)C)CC2)C1=O ZINC000281245067 389612037 /nfs/dbraw/zinc/61/20/37/389612037.db2.gz PXSOLIFPVDECTB-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO Cn1cnc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000178716830 389616490 /nfs/dbraw/zinc/61/64/90/389616490.db2.gz MTIRDPKHQNXLED-UHFFFAOYSA-N 1 2 291.355 0.108 20 30 CCEDLO O[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000336426987 389635653 /nfs/dbraw/zinc/63/56/53/389635653.db2.gz PJNFGYSGUIDFEF-BETUJISGSA-N 1 2 251.713 0.729 20 30 CCEDLO O[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000336426987 389635656 /nfs/dbraw/zinc/63/56/56/389635656.db2.gz PJNFGYSGUIDFEF-BETUJISGSA-N 1 2 251.713 0.729 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@@H]2C(C)C)C1=O ZINC000281927883 389635705 /nfs/dbraw/zinc/63/57/05/389635705.db2.gz HUBOBNONGVDBFG-NEPJUHHUSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@@H]2C(C)C)C1=O ZINC000281927883 389635709 /nfs/dbraw/zinc/63/57/09/389635709.db2.gz HUBOBNONGVDBFG-NEPJUHHUSA-N 1 2 265.357 0.230 20 30 CCEDLO COc1ccc(CC(N)=[NH+]O[C@H]2CCNC2=O)cc1 ZINC000179118747 389639545 /nfs/dbraw/zinc/63/95/45/389639545.db2.gz KQWOJORVQOETBQ-NSHDSACASA-N 1 2 263.297 0.415 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](F)(C(=O)OC)C2)C1=O ZINC000281964078 389639711 /nfs/dbraw/zinc/63/97/11/389639711.db2.gz KQHXVYUXWVODKC-GXFFZTMASA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](F)(C(=O)OC)C2)C1=O ZINC000281964078 389639715 /nfs/dbraw/zinc/63/97/15/389639715.db2.gz KQHXVYUXWVODKC-GXFFZTMASA-N 1 2 270.304 0.360 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000425276251 389643980 /nfs/dbraw/zinc/64/39/80/389643980.db2.gz DHJZTPWSLMSBFU-WOPDTQHZSA-N 1 2 278.356 0.694 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000425276251 389643985 /nfs/dbraw/zinc/64/39/85/389643985.db2.gz DHJZTPWSLMSBFU-WOPDTQHZSA-N 1 2 278.356 0.694 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000181228421 389682658 /nfs/dbraw/zinc/68/26/58/389682658.db2.gz CGTHGSNBMXBYFR-UHFFFAOYSA-N 1 2 287.323 0.436 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181265711 389683321 /nfs/dbraw/zinc/68/33/21/389683321.db2.gz KWNIUQMYSQCXNL-GXSJLCMTSA-N 1 2 295.305 0.896 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181265711 389683325 /nfs/dbraw/zinc/68/33/25/389683325.db2.gz KWNIUQMYSQCXNL-GXSJLCMTSA-N 1 2 295.305 0.896 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](COC(C)C)C2)C1=O ZINC000375607222 389690662 /nfs/dbraw/zinc/69/06/62/389690662.db2.gz LJGAVLSXXKHRGS-KBPBESRZSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](COC(C)C)C2)C1=O ZINC000375607222 389690665 /nfs/dbraw/zinc/69/06/65/389690665.db2.gz LJGAVLSXXKHRGS-KBPBESRZSA-N 1 2 282.384 0.899 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181782484 389693857 /nfs/dbraw/zinc/69/38/57/389693857.db2.gz HGQZZDXEVQOVBT-CYBMUJFWSA-N 1 2 296.392 0.664 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)OCC ZINC000429708475 389766671 /nfs/dbraw/zinc/76/66/71/389766671.db2.gz KFNOYEMOMYVKJZ-LLVKDONJSA-N 1 2 256.346 0.952 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)OCC ZINC000429708475 389766673 /nfs/dbraw/zinc/76/66/73/389766673.db2.gz KFNOYEMOMYVKJZ-LLVKDONJSA-N 1 2 256.346 0.952 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000395298058 389776657 /nfs/dbraw/zinc/77/66/57/389776657.db2.gz GGFWJFJBCFFMEY-VXGBXAGGSA-N 1 2 281.356 0.021 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000395298058 389776663 /nfs/dbraw/zinc/77/66/63/389776663.db2.gz GGFWJFJBCFFMEY-VXGBXAGGSA-N 1 2 281.356 0.021 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000407951614 389815294 /nfs/dbraw/zinc/81/52/94/389815294.db2.gz CLOOTXKJZQJHJC-LBPRGKRZSA-N 1 2 288.417 0.349 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000442655966 389853484 /nfs/dbraw/zinc/85/34/84/389853484.db2.gz STMWPEJVRJKSTK-OAHLLOKOSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCOCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354068066 389858759 /nfs/dbraw/zinc/85/87/59/389858759.db2.gz KIANPMGIHVZXBV-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000435443879 389957527 /nfs/dbraw/zinc/95/75/27/389957527.db2.gz SYYHUKJTDAQGPZ-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000435443879 389957528 /nfs/dbraw/zinc/95/75/28/389957528.db2.gz SYYHUKJTDAQGPZ-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000444661122 389912037 /nfs/dbraw/zinc/91/20/37/389912037.db2.gz HHCHIHPXUYJXGA-QWHCGFSZSA-N 1 2 291.413 0.449 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000444661122 389912040 /nfs/dbraw/zinc/91/20/40/389912040.db2.gz HHCHIHPXUYJXGA-QWHCGFSZSA-N 1 2 291.413 0.449 20 30 CCEDLO C=CCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000447947756 389974753 /nfs/dbraw/zinc/97/47/53/389974753.db2.gz HWBYWEDKCIFXKD-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO C=CCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000447947756 389974754 /nfs/dbraw/zinc/97/47/54/389974754.db2.gz HWBYWEDKCIFXKD-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457551883 390046303 /nfs/dbraw/zinc/04/63/03/390046303.db2.gz GFBPDCRZAKMGGB-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)cs1 ZINC000457129274 390031317 /nfs/dbraw/zinc/03/13/17/390031317.db2.gz QKUNIOQBJFCCCL-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)cs1 ZINC000457129274 390031320 /nfs/dbraw/zinc/03/13/20/390031320.db2.gz QKUNIOQBJFCCCL-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000492771518 390118420 /nfs/dbraw/zinc/11/84/20/390118420.db2.gz SDVWHMSOONYJOX-RXNFCKPNSA-N 1 2 274.324 0.668 20 30 CCEDLO CO[C@@H]1C[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1OC ZINC000487999301 390091322 /nfs/dbraw/zinc/09/13/22/390091322.db2.gz LYRUIKCJAHBFCL-MCIONIFRSA-N 1 2 289.335 0.430 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000491408296 390113052 /nfs/dbraw/zinc/11/30/52/390113052.db2.gz VIBPLJKPHMDYOV-QWHCGFSZSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCO[C@@H](C3CCC3)C2)C1=O ZINC000491408296 390113053 /nfs/dbraw/zinc/11/30/53/390113053.db2.gz VIBPLJKPHMDYOV-QWHCGFSZSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491453948 390113705 /nfs/dbraw/zinc/11/37/05/390113705.db2.gz UROZTWWDAAJEMD-ZIAGYGMSSA-N 1 2 287.425 0.906 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491453948 390113706 /nfs/dbraw/zinc/11/37/06/390113706.db2.gz UROZTWWDAAJEMD-ZIAGYGMSSA-N 1 2 287.425 0.906 20 30 CCEDLO C#C[C@H](CCC)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000491495380 390114188 /nfs/dbraw/zinc/11/41/88/390114188.db2.gz ITRCTTMTPCNTHL-GFCCVEGCSA-N 1 2 267.373 0.361 20 30 CCEDLO C#C[C@H](CCC)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000491495380 390114189 /nfs/dbraw/zinc/11/41/89/390114189.db2.gz ITRCTTMTPCNTHL-GFCCVEGCSA-N 1 2 267.373 0.361 20 30 CCEDLO CC(C)NC(=O)OC1CN(C[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000496089033 390297817 /nfs/dbraw/zinc/29/78/17/390297817.db2.gz AYJAYEOLMCITLV-LBPRGKRZSA-N 1 2 298.387 0.012 20 30 CCEDLO CC(C)NC(=O)OC1CN(C[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000496089033 390297820 /nfs/dbraw/zinc/29/78/20/390297820.db2.gz AYJAYEOLMCITLV-LBPRGKRZSA-N 1 2 298.387 0.012 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](C(=O)OC)OC1=O)C1CC1 ZINC000496627411 390356968 /nfs/dbraw/zinc/35/69/68/390356968.db2.gz VPELJHWRVXMJDG-JTQLQIEISA-N 1 2 254.286 0.588 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](C(=O)OC)OC1=O)C1CC1 ZINC000496627411 390356972 /nfs/dbraw/zinc/35/69/72/390356972.db2.gz VPELJHWRVXMJDG-JTQLQIEISA-N 1 2 254.286 0.588 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000645529586 390441890 /nfs/dbraw/zinc/44/18/90/390441890.db2.gz KCVPMLXNULJGAS-IJLUTSLNSA-N 1 2 276.340 0.962 20 30 CCEDLO C=CCn1cc(C(=O)NCCc2c[nH+]cn2C)nn1 ZINC000648858764 390426645 /nfs/dbraw/zinc/42/66/45/390426645.db2.gz MUXCHSVNKPZJDZ-UHFFFAOYSA-N 1 2 260.301 0.170 20 30 CCEDLO C[C@H](Oc1cccnc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000562323194 390488566 /nfs/dbraw/zinc/48/85/66/390488566.db2.gz UXSQRIWYVXJEJT-SMDDNHRTSA-N 1 2 276.340 0.809 20 30 CCEDLO Cc1nn(C)c(C)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564872332 390497427 /nfs/dbraw/zinc/49/74/27/390497427.db2.gz KCHZBCKVVCTXKE-AWEZNQCLSA-N 1 2 277.372 0.540 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(C2CC2)nc1 ZINC000565051998 390499748 /nfs/dbraw/zinc/49/97/48/390499748.db2.gz UDRDVMLSXDHAQG-AWEZNQCLSA-N 1 2 273.340 0.928 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CC1(C#N)CCC1 ZINC000554891831 390445302 /nfs/dbraw/zinc/44/53/02/390445302.db2.gz FRGRVSRLPKVXII-UHFFFAOYSA-N 1 2 282.369 0.876 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000556084429 390472781 /nfs/dbraw/zinc/47/27/81/390472781.db2.gz JSPOXCYXCXHXBL-LBPRGKRZSA-N 1 2 266.389 0.773 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)C(C)(C)C1 ZINC000556084429 390472784 /nfs/dbraw/zinc/47/27/84/390472784.db2.gz JSPOXCYXCXHXBL-LBPRGKRZSA-N 1 2 266.389 0.773 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CCC1 ZINC000561844123 390487589 /nfs/dbraw/zinc/48/75/89/390487589.db2.gz CNOCZSPBMQSYGF-RYUDHWBXSA-N 1 2 263.341 0.802 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CCC1 ZINC000561844123 390487595 /nfs/dbraw/zinc/48/75/95/390487595.db2.gz CNOCZSPBMQSYGF-RYUDHWBXSA-N 1 2 263.341 0.802 20 30 CCEDLO COCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000566041347 390569669 /nfs/dbraw/zinc/56/96/69/390569669.db2.gz CXBCFWQRQRBBMB-UHFFFAOYSA-N 1 2 277.324 0.199 20 30 CCEDLO COC(=O)[C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569977491 390716898 /nfs/dbraw/zinc/71/68/98/390716898.db2.gz LNRDNVQMTHLBSD-BXKDBHETSA-N 1 2 255.318 0.146 20 30 CCEDLO Cn1ncc2c1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2 ZINC000570805990 390719084 /nfs/dbraw/zinc/71/90/84/390719084.db2.gz UOCGALONFCATRU-NHYWBVRUSA-N 1 2 289.383 0.485 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(C2CC2)n1 ZINC000570805295 390719166 /nfs/dbraw/zinc/71/91/66/390719166.db2.gz GGSSITYRSWEPNM-AWEZNQCLSA-N 1 2 273.340 0.928 20 30 CCEDLO COC(=O)CSCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570750014 390719243 /nfs/dbraw/zinc/71/92/43/390719243.db2.gz GNBWGPDQGRVCCD-LBPRGKRZSA-N 1 2 287.385 0.243 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000646638208 390701994 /nfs/dbraw/zinc/70/19/94/390701994.db2.gz LHSZYSKMNJVCKA-CABCVRRESA-N 1 2 290.363 0.723 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000532378902 390879443 /nfs/dbraw/zinc/87/94/43/390879443.db2.gz MNGFDVMMJWDGGQ-LLVKDONJSA-N 1 2 250.346 0.983 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000532378902 390879446 /nfs/dbraw/zinc/87/94/46/390879446.db2.gz MNGFDVMMJWDGGQ-LLVKDONJSA-N 1 2 250.346 0.983 20 30 CCEDLO CC1CC(C#N)(C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000532319321 390879604 /nfs/dbraw/zinc/87/96/04/390879604.db2.gz RUYCSVKGMDYZIM-UHFFFAOYSA-N 1 2 265.357 0.717 20 30 CCEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC2(C#N)CC2)c1=O ZINC000577866762 390850094 /nfs/dbraw/zinc/85/00/94/390850094.db2.gz CPZKWOIXRVUPQS-UHFFFAOYSA-N 1 2 298.346 0.856 20 30 CCEDLO C[N@@H+]([C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O ZINC000533936018 390887561 /nfs/dbraw/zinc/88/75/61/390887561.db2.gz XKEACJUBDJAOSX-UONOGXRCSA-N 1 2 298.346 0.484 20 30 CCEDLO C[N@H+]([C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O ZINC000533936018 390887563 /nfs/dbraw/zinc/88/75/63/390887563.db2.gz XKEACJUBDJAOSX-UONOGXRCSA-N 1 2 298.346 0.484 20 30 CCEDLO Cn1nnnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000341963379 130176669 /nfs/dbraw/zinc/17/66/69/130176669.db2.gz HKCQAMNPCAKVQK-UHFFFAOYSA-N 1 2 254.297 0.861 20 30 CCEDLO N#Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000342123417 130281135 /nfs/dbraw/zinc/28/11/35/130281135.db2.gz HDVJDHZPNUMRDL-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116280 289013690 /nfs/dbraw/zinc/01/36/90/289013690.db2.gz VLJVKYKSKZONHX-VHSXEESVSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116280 289013693 /nfs/dbraw/zinc/01/36/93/289013693.db2.gz VLJVKYKSKZONHX-VHSXEESVSA-N 1 2 283.353 0.864 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000359133048 144196073 /nfs/dbraw/zinc/19/60/73/144196073.db2.gz WJJNOPDKTYESFQ-UHFFFAOYSA-N 1 2 284.323 0.567 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)ncn1 ZINC000553262215 286187211 /nfs/dbraw/zinc/18/72/11/286187211.db2.gz LRVZQFBNRYKWCO-YPMHNXCESA-N 1 2 273.340 0.648 20 30 CCEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH+]1CCOCC1 ZINC000175261364 411732240 /nfs/dbraw/zinc/73/22/40/411732240.db2.gz GZFZCTUZDMDFIL-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCSC[C@H]2CO)nn1 ZINC000653594399 412322594 /nfs/dbraw/zinc/32/25/94/412322594.db2.gz QEPAMLNEXFPXEK-GFCCVEGCSA-N 1 2 268.386 0.764 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@H]2CO)nn1 ZINC000653594399 412322598 /nfs/dbraw/zinc/32/25/98/412322598.db2.gz QEPAMLNEXFPXEK-GFCCVEGCSA-N 1 2 268.386 0.764 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000285664121 196359078 /nfs/dbraw/zinc/35/90/78/196359078.db2.gz MIVOOYHMSOLKEQ-WCQYABFASA-N 1 2 288.351 0.822 20 30 CCEDLO C=C(C)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661047605 414547509 /nfs/dbraw/zinc/54/75/09/414547509.db2.gz OSKPWCIOKGWAJI-LBPRGKRZSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000661070851 414552231 /nfs/dbraw/zinc/55/22/31/414552231.db2.gz SDMIMZQFBGHXLW-UHFFFAOYSA-N 1 2 253.346 0.727 20 30 CCEDLO Cc1[nH]c(C(=O)NCc2nnnn2CC2CC2)c[nH+]1 ZINC000329969422 228002138 /nfs/dbraw/zinc/00/21/38/228002138.db2.gz UNVGJOWRHGJOTQ-UHFFFAOYSA-N 1 2 261.289 0.619 20 30 CCEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329999428 228012038 /nfs/dbraw/zinc/01/20/38/228012038.db2.gz UTGYXDCJZUBDFJ-MEWQQHAOSA-N 1 2 276.340 0.594 20 30 CCEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329999428 228012040 /nfs/dbraw/zinc/01/20/40/228012040.db2.gz UTGYXDCJZUBDFJ-MEWQQHAOSA-N 1 2 276.340 0.594 20 30 CCEDLO [O-]C(N[C@H]1[C@@H]2COC[C@@H]21)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329999428 228012043 /nfs/dbraw/zinc/01/20/43/228012043.db2.gz UTGYXDCJZUBDFJ-MEWQQHAOSA-N 1 2 276.340 0.594 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2CCCCCC2=O)C1 ZINC000329397746 545022184 /nfs/dbraw/zinc/02/21/84/545022184.db2.gz XYJISXVFRQKHJL-CYBMUJFWSA-N 1 2 296.415 0.591 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2CCCCCC2=O)C1 ZINC000329397746 545022186 /nfs/dbraw/zinc/02/21/86/545022186.db2.gz XYJISXVFRQKHJL-CYBMUJFWSA-N 1 2 296.415 0.591 20 30 CCEDLO CS(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407987023 260150515 /nfs/dbraw/zinc/15/05/15/260150515.db2.gz BKSBKCFWMMIVBL-MNOVXSKESA-N 1 2 257.359 0.256 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407988105 260151610 /nfs/dbraw/zinc/15/16/10/260151610.db2.gz ABQBWYPDXPCJCL-SRVKXCTJSA-N 1 2 251.330 0.204 20 30 CCEDLO CN(CC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000068972119 260259265 /nfs/dbraw/zinc/25/92/65/260259265.db2.gz VSEFGXKQIOIRBZ-UHFFFAOYSA-N 1 2 292.408 0.848 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCN(C)C2=O)cs1 ZINC000072920057 260279295 /nfs/dbraw/zinc/27/92/95/260279295.db2.gz ZWCLGOSHIPFCMF-VIFPVBQESA-N 1 2 268.342 0.514 20 30 CCEDLO Cc1n[nH]cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154813498 261095154 /nfs/dbraw/zinc/09/51/54/261095154.db2.gz SCYOTZHVSGQYOV-UHFFFAOYSA-N 1 2 277.372 0.766 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@](C)(COC)CC2=O)CC1 ZINC000490742141 261201284 /nfs/dbraw/zinc/20/12/84/261201284.db2.gz VLSGFDRASSPMKJ-OAHLLOKOSA-N 1 2 279.384 0.080 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000102323303 261211637 /nfs/dbraw/zinc/21/16/37/261211637.db2.gz WKQZMXHQEFZAEL-UHFFFAOYSA-N 1 2 279.384 0.719 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000490996980 261290727 /nfs/dbraw/zinc/29/07/27/261290727.db2.gz QWDYQOJVWVPACN-CHWSQXEVSA-N 1 2 266.389 0.189 20 30 CCEDLO NS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000365275741 262357622 /nfs/dbraw/zinc/35/76/22/262357622.db2.gz PIGWGWOQUIFMQX-AWEZNQCLSA-N 1 2 278.377 0.791 20 30 CCEDLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365275741 262357623 /nfs/dbraw/zinc/35/76/23/262357623.db2.gz PIGWGWOQUIFMQX-AWEZNQCLSA-N 1 2 278.377 0.791 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000336728020 262385017 /nfs/dbraw/zinc/38/50/17/262385017.db2.gz NADXCJKLGPXCCJ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000336728020 262385019 /nfs/dbraw/zinc/38/50/19/262385019.db2.gz NADXCJKLGPXCCJ-NSHDSACASA-N 1 2 273.402 0.892 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000365822111 262478454 /nfs/dbraw/zinc/47/84/54/262478454.db2.gz CIEQXALCHYWHIX-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000365822111 262478455 /nfs/dbraw/zinc/47/84/55/262478455.db2.gz CIEQXALCHYWHIX-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC(OCC(F)F)C1 ZINC000414148056 262810547 /nfs/dbraw/zinc/81/05/47/262810547.db2.gz NBFVKXBRKGMKGU-SNVBAGLBSA-N 1 2 277.315 0.159 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC(OCC(F)F)C1 ZINC000414148056 262810548 /nfs/dbraw/zinc/81/05/48/262810548.db2.gz NBFVKXBRKGMKGU-SNVBAGLBSA-N 1 2 277.315 0.159 20 30 CCEDLO COc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000274309871 263022833 /nfs/dbraw/zinc/02/28/33/263022833.db2.gz AKUTZAMJPNOKTF-UHFFFAOYSA-N 1 2 267.285 0.305 20 30 CCEDLO COc1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000274405191 263023928 /nfs/dbraw/zinc/02/39/28/263023928.db2.gz YVAIGCLEZXYBRE-UHFFFAOYSA-N 1 2 267.285 0.305 20 30 CCEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CNC(=O)O2)ccc1F ZINC000282202363 263074979 /nfs/dbraw/zinc/07/49/79/263074979.db2.gz IFXXTTTYNRNJTF-SECBINFHSA-N 1 2 267.260 0.879 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000283170512 263081666 /nfs/dbraw/zinc/08/16/66/263081666.db2.gz UNVJYIVIXHUIIM-JASJWYONSA-N 1 2 276.340 0.919 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1cccs1)[C@@H]1CCCO1 ZINC000284390021 263086687 /nfs/dbraw/zinc/08/66/87/263086687.db2.gz MNFSJYFGSVEWRK-JTQLQIEISA-N 1 2 283.353 0.832 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121301254 263292069 /nfs/dbraw/zinc/29/20/69/263292069.db2.gz DHACHBFODJZWPR-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121301254 263292071 /nfs/dbraw/zinc/29/20/71/263292071.db2.gz DHACHBFODJZWPR-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000045752996 263302762 /nfs/dbraw/zinc/30/27/62/263302762.db2.gz NKGGHLBLUGSCNC-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000045752996 263302764 /nfs/dbraw/zinc/30/27/64/263302764.db2.gz NKGGHLBLUGSCNC-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342236844 263412846 /nfs/dbraw/zinc/41/28/46/263412846.db2.gz BITQIBBQOGFKOL-IJLUTSLNSA-N 1 2 251.330 0.468 20 30 CCEDLO COC[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000330407133 263930987 /nfs/dbraw/zinc/93/09/87/263930987.db2.gz IUIVVQGRYZQDDP-HZSPNIEDSA-N 1 2 299.415 0.978 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC(C)(C)C#N ZINC000330760321 264031030 /nfs/dbraw/zinc/03/10/30/264031030.db2.gz LKHJRWZQQLSSSO-GFCCVEGCSA-N 1 2 283.372 0.078 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330776374 264035557 /nfs/dbraw/zinc/03/55/57/264035557.db2.gz IZCMXFXHAKJFHT-LLVKDONJSA-N 1 2 296.371 0.677 20 30 CCEDLO CC[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330804426 264043057 /nfs/dbraw/zinc/04/30/57/264043057.db2.gz GWAWYDLAYRQLOW-GFCCVEGCSA-N 1 2 295.387 0.762 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330782095 264052502 /nfs/dbraw/zinc/05/25/02/264052502.db2.gz PFMCWXQJQLRLGV-SECBINFHSA-N 1 2 294.359 0.023 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330782095 264052505 /nfs/dbraw/zinc/05/25/05/264052505.db2.gz PFMCWXQJQLRLGV-SECBINFHSA-N 1 2 294.359 0.023 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330784957 264053327 /nfs/dbraw/zinc/05/33/27/264053327.db2.gz SNWNNNWQYHDTOD-VIFPVBQESA-N 1 2 265.317 0.137 20 30 CCEDLO C[C@@]1(CCCO)CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000330874219 264059951 /nfs/dbraw/zinc/05/99/51/264059951.db2.gz IGCPUHZXGCXQCF-HNNXBMFYSA-N 1 2 299.415 0.860 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000330945888 264084907 /nfs/dbraw/zinc/08/49/07/264084907.db2.gz KEMHWPRJTFYWOC-GFCCVEGCSA-N 1 2 276.340 0.833 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000330945888 264084910 /nfs/dbraw/zinc/08/49/10/264084910.db2.gz KEMHWPRJTFYWOC-GFCCVEGCSA-N 1 2 276.340 0.833 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000330952276 264086302 /nfs/dbraw/zinc/08/63/02/264086302.db2.gz QPAQYNZWUDQWLW-JTQLQIEISA-N 1 2 264.329 0.416 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000330952276 264086303 /nfs/dbraw/zinc/08/63/03/264086303.db2.gz QPAQYNZWUDQWLW-JTQLQIEISA-N 1 2 264.329 0.416 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000330995036 264105037 /nfs/dbraw/zinc/10/50/37/264105037.db2.gz OEACIEQBXBPICD-OLZOCXBDSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000330995036 264105038 /nfs/dbraw/zinc/10/50/38/264105038.db2.gz OEACIEQBXBPICD-OLZOCXBDSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000330995037 264105107 /nfs/dbraw/zinc/10/51/07/264105107.db2.gz OEACIEQBXBPICD-QWHCGFSZSA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000330995037 264105108 /nfs/dbraw/zinc/10/51/08/264105108.db2.gz OEACIEQBXBPICD-QWHCGFSZSA-N 1 2 277.299 0.837 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331184999 264156100 /nfs/dbraw/zinc/15/61/00/264156100.db2.gz OFIMJBUUKRZTSK-HZSPNIEDSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331184999 264156101 /nfs/dbraw/zinc/15/61/01/264156101.db2.gz OFIMJBUUKRZTSK-HZSPNIEDSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331184999 264156103 /nfs/dbraw/zinc/15/61/03/264156103.db2.gz OFIMJBUUKRZTSK-HZSPNIEDSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331184999 264156104 /nfs/dbraw/zinc/15/61/04/264156104.db2.gz OFIMJBUUKRZTSK-HZSPNIEDSA-N 1 2 294.399 0.009 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H](C)O)CCC2 ZINC000331216121 264164080 /nfs/dbraw/zinc/16/40/80/264164080.db2.gz OUXUXZQHVGNCLH-QWRGUYRKSA-N 1 2 266.345 0.953 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331327051 264190364 /nfs/dbraw/zinc/19/03/64/264190364.db2.gz PBLUBZMRAOKPOP-NSHDSACASA-N 1 2 283.372 0.950 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331327051 264190365 /nfs/dbraw/zinc/19/03/65/264190365.db2.gz PBLUBZMRAOKPOP-NSHDSACASA-N 1 2 283.372 0.950 20 30 CCEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)NCC#N)s1 ZINC000425493186 264359230 /nfs/dbraw/zinc/35/92/30/264359230.db2.gz UTDDEBSFZABRAK-SSDOTTSWSA-N 1 2 282.325 0.220 20 30 CCEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)NCC#N)s1 ZINC000425493188 264360129 /nfs/dbraw/zinc/36/01/29/264360129.db2.gz UTDDEBSFZABRAK-ZETCQYMHSA-N 1 2 282.325 0.220 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190161516 264393299 /nfs/dbraw/zinc/39/32/99/264393299.db2.gz SOVWSSIWYSGHLC-UHFFFAOYSA-N 1 2 279.384 0.741 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190161516 264393302 /nfs/dbraw/zinc/39/33/02/264393302.db2.gz SOVWSSIWYSGHLC-UHFFFAOYSA-N 1 2 279.384 0.741 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000180300530 264396506 /nfs/dbraw/zinc/39/65/06/264396506.db2.gz OJBRAAOLRLQCCG-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000281964166 264491709 /nfs/dbraw/zinc/49/17/09/264491709.db2.gz KROBXEOYSVKTSE-NSHDSACASA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000281964166 264491710 /nfs/dbraw/zinc/49/17/10/264491710.db2.gz KROBXEOYSVKTSE-NSHDSACASA-N 1 2 267.373 0.620 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)CCC1 ZINC000525886423 265034440 /nfs/dbraw/zinc/03/44/40/265034440.db2.gz PUDPEADTVQHOEN-LBPRGKRZSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H](C3CC3)C2)CCC1 ZINC000525886423 265034442 /nfs/dbraw/zinc/03/44/42/265034442.db2.gz PUDPEADTVQHOEN-LBPRGKRZSA-N 1 2 263.341 0.660 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000520684306 265891512 /nfs/dbraw/zinc/89/15/12/265891512.db2.gz FGCSOXALPPKYNW-ZDUSSCGKSA-N 1 2 284.319 0.936 20 30 CCEDLO C[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000356544115 266134399 /nfs/dbraw/zinc/13/43/99/266134399.db2.gz ZZFDMFMEFVXJGL-JHJVBQTASA-N 1 2 282.388 0.897 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000356550680 266135507 /nfs/dbraw/zinc/13/55/07/266135507.db2.gz HWPYZCDELHBQBZ-UHFFFAOYSA-N 1 2 282.303 0.973 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357676076 266344673 /nfs/dbraw/zinc/34/46/73/266344673.db2.gz OETGESCOLKLATH-JSGCOSHPSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357676076 266344676 /nfs/dbraw/zinc/34/46/76/266344676.db2.gz OETGESCOLKLATH-JSGCOSHPSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1=O ZINC000357678979 266346188 /nfs/dbraw/zinc/34/61/88/266346188.db2.gz STVULERKYSETQN-NSHDSACASA-N 1 2 276.340 0.588 20 30 CCEDLO CCCOCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000530110078 267026608 /nfs/dbraw/zinc/02/66/08/267026608.db2.gz UUPDZLIGVHDXKM-UHFFFAOYSA-N 1 2 291.351 0.936 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368903889 267212050 /nfs/dbraw/zinc/21/20/50/267212050.db2.gz ZPIKPUSVBNWCFA-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368903889 267212051 /nfs/dbraw/zinc/21/20/51/267212051.db2.gz ZPIKPUSVBNWCFA-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C[C@H]1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)=NO1 ZINC000377095492 268047292 /nfs/dbraw/zinc/04/72/92/268047292.db2.gz YTUPIGASEZZDQG-JQWIXIFHSA-N 1 2 281.356 0.868 20 30 CCEDLO C[C@H]1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)=NO1 ZINC000377095492 268047296 /nfs/dbraw/zinc/04/72/96/268047296.db2.gz YTUPIGASEZZDQG-JQWIXIFHSA-N 1 2 281.356 0.868 20 30 CCEDLO Cc1ncc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1C#N ZINC000521738445 268087712 /nfs/dbraw/zinc/08/77/12/268087712.db2.gz WKEXRPAJWDPGAZ-UHFFFAOYSA-N 1 2 263.282 0.786 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)nn3)CC2)S1 ZINC000301896404 278451946 /nfs/dbraw/zinc/45/19/46/278451946.db2.gz ZIUHBNSKWBCAPY-JTQLQIEISA-N 1 2 288.380 0.962 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000182543548 327813897 /nfs/dbraw/zinc/81/38/97/327813897.db2.gz WOQOUZWQCFCMGT-QWRGUYRKSA-N 1 2 254.334 0.166 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn2c(n1)CCCC2 ZINC000563220428 327980267 /nfs/dbraw/zinc/98/02/67/327980267.db2.gz NVYWHKSENZOIJD-AWEZNQCLSA-N 1 2 275.356 0.793 20 30 CCEDLO COCCN(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571291777 328099805 /nfs/dbraw/zinc/09/98/05/328099805.db2.gz UBRPLVYTRMOMQW-NSHDSACASA-N 1 2 250.302 0.833 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185137261 329266306 /nfs/dbraw/zinc/26/63/06/329266306.db2.gz KBRSLSCKSJYXEQ-AWEZNQCLSA-N 1 2 281.356 0.240 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185137261 329266308 /nfs/dbraw/zinc/26/63/08/329266308.db2.gz KBRSLSCKSJYXEQ-AWEZNQCLSA-N 1 2 281.356 0.240 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000111244791 328338757 /nfs/dbraw/zinc/33/87/57/328338757.db2.gz CCRNFNWNBDYKAY-UHFFFAOYSA-N 1 2 282.351 0.413 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368046614 327222636 /nfs/dbraw/zinc/22/26/36/327222636.db2.gz RBMGDTVRWSQOAY-DGCLKSJQSA-N 1 2 283.372 0.086 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368046614 327222638 /nfs/dbraw/zinc/22/26/38/327222638.db2.gz RBMGDTVRWSQOAY-DGCLKSJQSA-N 1 2 283.372 0.086 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000562445965 327481919 /nfs/dbraw/zinc/48/19/19/327481919.db2.gz CQBGXWCZERSIDY-RYUDHWBXSA-N 1 2 268.361 0.508 20 30 CCEDLO CCOC1CC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000582363234 328970096 /nfs/dbraw/zinc/97/00/96/328970096.db2.gz NZBNOQRXUCXNTE-XIVSLSHWSA-N 1 2 253.346 0.762 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228948870 329348022 /nfs/dbraw/zinc/34/80/22/329348022.db2.gz GBTPVPJDGMJDSL-QWRGUYRKSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000228948870 329348024 /nfs/dbraw/zinc/34/80/24/329348024.db2.gz GBTPVPJDGMJDSL-QWRGUYRKSA-N 1 2 256.346 0.149 20 30 CCEDLO COc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000514675871 329374574 /nfs/dbraw/zinc/37/45/74/329374574.db2.gz LWVRURMOJLOLET-GFCCVEGCSA-N 1 2 265.317 0.002 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000419924435 329749043 /nfs/dbraw/zinc/74/90/43/329749043.db2.gz MXRJBHFJLXUXJU-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000266802288 330064517 /nfs/dbraw/zinc/06/45/17/330064517.db2.gz FMOYLWYLSGGQFZ-UHFFFAOYSA-N 1 2 250.342 0.769 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033641 330324160 /nfs/dbraw/zinc/32/41/60/330324160.db2.gz DKXBYYJEIXCNGX-CHWSQXEVSA-N 1 2 275.356 0.920 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033641 330324161 /nfs/dbraw/zinc/32/41/61/330324161.db2.gz DKXBYYJEIXCNGX-CHWSQXEVSA-N 1 2 275.356 0.920 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424459971 330352327 /nfs/dbraw/zinc/35/23/27/330352327.db2.gz ALIRCWXIAIBZDC-RKDXNWHRSA-N 1 2 263.288 0.077 20 30 CCEDLO C#CC[N@@H+](CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108865846 330358096 /nfs/dbraw/zinc/35/80/96/330358096.db2.gz KHCUBNSJCKCTIO-GFCCVEGCSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108865846 330358097 /nfs/dbraw/zinc/35/80/97/330358097.db2.gz KHCUBNSJCKCTIO-GFCCVEGCSA-N 1 2 286.397 0.023 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424507373 330361399 /nfs/dbraw/zinc/36/13/99/330361399.db2.gz NDAWRBHALNZDPJ-JTQLQIEISA-N 1 2 289.326 0.430 20 30 CCEDLO C#CC[N@@H+](CCCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000117879644 330366165 /nfs/dbraw/zinc/36/61/65/330366165.db2.gz LEDUXPKQOMYGQZ-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+](CCCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000117879644 330366166 /nfs/dbraw/zinc/36/61/66/330366166.db2.gz LEDUXPKQOMYGQZ-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751718 331041089 /nfs/dbraw/zinc/04/10/89/331041089.db2.gz VJKAFGQLICPXRQ-SFTQSGBHSA-N 1 2 283.372 0.121 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000451751718 331041090 /nfs/dbraw/zinc/04/10/90/331041090.db2.gz VJKAFGQLICPXRQ-SFTQSGBHSA-N 1 2 283.372 0.121 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451991664 331049609 /nfs/dbraw/zinc/04/96/09/331049609.db2.gz KWSWHXNAYUQEMB-NSHDSACASA-N 1 2 268.361 0.024 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451991664 331049610 /nfs/dbraw/zinc/04/96/10/331049610.db2.gz KWSWHXNAYUQEMB-NSHDSACASA-N 1 2 268.361 0.024 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000454639536 331150216 /nfs/dbraw/zinc/15/02/16/331150216.db2.gz CKDKODIFKUPNRS-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000454639536 331150217 /nfs/dbraw/zinc/15/02/17/331150217.db2.gz CKDKODIFKUPNRS-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207743 331186420 /nfs/dbraw/zinc/18/64/20/331186420.db2.gz TWRJMBNDJNSSFW-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207743 331186421 /nfs/dbraw/zinc/18/64/21/331186421.db2.gz TWRJMBNDJNSSFW-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000456772467 331202502 /nfs/dbraw/zinc/20/25/02/331202502.db2.gz WVYHLARXLIRMLP-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC000459718249 331295599 /nfs/dbraw/zinc/29/55/99/331295599.db2.gz XJOPBTFBKOCXPG-UKRRQHHQSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC000459718249 331295600 /nfs/dbraw/zinc/29/56/00/331295600.db2.gz XJOPBTFBKOCXPG-UKRRQHHQSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000488972562 332036071 /nfs/dbraw/zinc/03/60/71/332036071.db2.gz FHNAKHORZDJRAN-GFCCVEGCSA-N 1 2 263.341 0.735 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000488972562 332036072 /nfs/dbraw/zinc/03/60/72/332036072.db2.gz FHNAKHORZDJRAN-GFCCVEGCSA-N 1 2 263.341 0.735 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000490714547 332107670 /nfs/dbraw/zinc/10/76/70/332107670.db2.gz PSIHQISJNUIACJ-CQSZACIVSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000490714547 332107671 /nfs/dbraw/zinc/10/76/71/332107671.db2.gz PSIHQISJNUIACJ-CQSZACIVSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C[C@@H](C)C#N)C2CC2)CC1 ZINC000490841302 332119628 /nfs/dbraw/zinc/11/96/28/332119628.db2.gz SWDSVJOTHDMQLG-AWEZNQCLSA-N 1 2 288.395 0.388 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000490876565 332124554 /nfs/dbraw/zinc/12/45/54/332124554.db2.gz UWEVPGXAGZKTSY-CHWSQXEVSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000490876565 332124555 /nfs/dbraw/zinc/12/45/55/332124555.db2.gz UWEVPGXAGZKTSY-CHWSQXEVSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@](C)(CC)C2=O)CC1 ZINC000490898067 332126897 /nfs/dbraw/zinc/12/68/97/332126897.db2.gz HQGVERCHJLZBOL-HNNXBMFYSA-N 1 2 277.368 0.370 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491041411 332142085 /nfs/dbraw/zinc/14/20/85/332142085.db2.gz YYABOKJCNFBZOK-ZDUSSCGKSA-N 1 2 270.336 0.866 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491507806 332225776 /nfs/dbraw/zinc/22/57/76/332225776.db2.gz XERIULYXBMMYHW-BFHYXJOUSA-N 1 2 295.383 0.139 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000491623711 332248321 /nfs/dbraw/zinc/24/83/21/332248321.db2.gz HPXYEHBPMKFFQE-MRVPVSSYSA-N 1 2 290.323 0.002 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000491623711 332248323 /nfs/dbraw/zinc/24/83/23/332248323.db2.gz HPXYEHBPMKFFQE-MRVPVSSYSA-N 1 2 290.323 0.002 20 30 CCEDLO C#C[C@@H]1COCCN1CCC[N@@H+]1CCOC[C@H]1C#C ZINC000491643226 332262316 /nfs/dbraw/zinc/26/23/16/332262316.db2.gz ZWHXNZAKCTYZLW-HUUCEWRRSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H]1COCCN1CCC[N@H+]1CCOC[C@H]1C#C ZINC000491643226 332262317 /nfs/dbraw/zinc/26/23/17/332262317.db2.gz ZWHXNZAKCTYZLW-HUUCEWRRSA-N 1 2 262.353 0.045 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(C/C=C/Cl)CC1 ZINC000491657278 332268574 /nfs/dbraw/zinc/26/85/74/332268574.db2.gz KCHGXBPRLAOEHM-ONEGZZNKSA-N 1 2 255.749 0.106 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000491665187 332273998 /nfs/dbraw/zinc/27/39/98/332273998.db2.gz UHQWSUZUWKKCBU-JSGCOSHPSA-N 1 2 296.367 0.074 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000491689284 332286726 /nfs/dbraw/zinc/28/67/26/332286726.db2.gz HRJFJEOJMFEWGP-KBPBESRZSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000491689284 332286727 /nfs/dbraw/zinc/28/67/27/332286727.db2.gz HRJFJEOJMFEWGP-KBPBESRZSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000491698298 332293287 /nfs/dbraw/zinc/29/32/87/332293287.db2.gz SGLUOUXUZOCSIE-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000491698298 332293288 /nfs/dbraw/zinc/29/32/88/332293288.db2.gz SGLUOUXUZOCSIE-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701316 332295712 /nfs/dbraw/zinc/29/57/12/332295712.db2.gz FWZNAEASYRIJTK-VXGBXAGGSA-N 1 2 265.309 0.556 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000491701316 332295713 /nfs/dbraw/zinc/29/57/13/332295713.db2.gz FWZNAEASYRIJTK-VXGBXAGGSA-N 1 2 265.309 0.556 20 30 CCEDLO C#CCN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491714906 332305291 /nfs/dbraw/zinc/30/52/91/332305291.db2.gz OEJROPLCJVDHAL-CYBMUJFWSA-N 1 2 290.367 0.575 20 30 CCEDLO C#CCN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491714906 332305292 /nfs/dbraw/zinc/30/52/92/332305292.db2.gz OEJROPLCJVDHAL-CYBMUJFWSA-N 1 2 290.367 0.575 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491715310 332305534 /nfs/dbraw/zinc/30/55/34/332305534.db2.gz PHBCYYMRNGRJCJ-IJLUTSLNSA-N 1 2 274.324 0.933 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCCC#N)CC1 ZINC000491716296 332306159 /nfs/dbraw/zinc/30/61/59/332306159.db2.gz SOVAHJCEDOAREM-UHFFFAOYSA-N 1 2 251.355 0.411 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000491738807 332318531 /nfs/dbraw/zinc/31/85/31/332318531.db2.gz GQFWJHYNDIZBBM-JTQLQIEISA-N 1 2 292.339 0.489 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000491738807 332318532 /nfs/dbraw/zinc/31/85/32/332318532.db2.gz GQFWJHYNDIZBBM-JTQLQIEISA-N 1 2 292.339 0.489 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491761339 332331781 /nfs/dbraw/zinc/33/17/81/332331781.db2.gz VNAUSPIGQKMOLV-XQQFMLRXSA-N 1 2 267.373 0.759 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000491770280 332337322 /nfs/dbraw/zinc/33/73/22/332337322.db2.gz OFBPELVHBUNQBM-OLZOCXBDSA-N 1 2 279.384 0.903 20 30 CCEDLO C=CCOC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000492862010 332416546 /nfs/dbraw/zinc/41/65/46/332416546.db2.gz KLGXMGJTUGUXKV-SGUJLRQBSA-N 1 2 279.296 0.283 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\[C@@H]1CCOC1 ZINC000493725197 332451486 /nfs/dbraw/zinc/45/14/86/332451486.db2.gz POJTVHNSKKBMPR-JLXHFUFZSA-N 1 2 251.330 0.539 20 30 CCEDLO C=CCC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000172625055 335112631 /nfs/dbraw/zinc/11/26/31/335112631.db2.gz AGEOBNQHAJUVPO-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO C=CCC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000172625055 335112632 /nfs/dbraw/zinc/11/26/32/335112632.db2.gz AGEOBNQHAJUVPO-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO C=CCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000172625055 335112633 /nfs/dbraw/zinc/11/26/33/335112633.db2.gz AGEOBNQHAJUVPO-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007923778 333103481 /nfs/dbraw/zinc/10/34/81/333103481.db2.gz KLGYUKCCUYNIHD-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007923778 333103482 /nfs/dbraw/zinc/10/34/82/333103482.db2.gz KLGYUKCCUYNIHD-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO CC#CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000543607180 333884360 /nfs/dbraw/zinc/88/43/60/333884360.db2.gz GVFXBSOTHVRFAG-UHFFFAOYSA-N 1 2 255.281 0.806 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000135150887 334118043 /nfs/dbraw/zinc/11/80/43/334118043.db2.gz QUSUWXBOQSHJCC-HIFRSBDPSA-N 1 2 284.400 0.740 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1ncc2ccccc21 ZINC000555480567 334479673 /nfs/dbraw/zinc/47/96/73/334479673.db2.gz OUKXHFVTSJEIGG-OAHLLOKOSA-N 1 2 285.351 0.996 20 30 CCEDLO CCn1nccc1N1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000566124905 334625707 /nfs/dbraw/zinc/62/57/07/334625707.db2.gz LKFNKWOPHDUFMH-LLVKDONJSA-N 1 2 261.329 0.902 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cncc(F)c1 ZINC000567114755 334682339 /nfs/dbraw/zinc/68/23/39/334682339.db2.gz ZAJRAMCVCZQPBI-LBPRGKRZSA-N 1 2 250.277 0.794 20 30 CCEDLO C=C(C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000156679689 334747202 /nfs/dbraw/zinc/74/72/02/334747202.db2.gz XYBSBORXRGBCKR-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO Cc1c(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C ZINC000576995487 335275509 /nfs/dbraw/zinc/27/55/09/335275509.db2.gz DWOACAPBSKHPGE-GFCCVEGCSA-N 1 2 283.763 0.956 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCCC#N ZINC000776858636 582092238 /nfs/dbraw/zinc/09/22/38/582092238.db2.gz WQCAZRZYHKFZFK-SNVBAGLBSA-N 1 2 268.361 0.251 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCCC#N ZINC000776858636 582092241 /nfs/dbraw/zinc/09/22/41/582092241.db2.gz WQCAZRZYHKFZFK-SNVBAGLBSA-N 1 2 268.361 0.251 20 30 CCEDLO Cc1cc(NC[C@@H](O)C2CCOCC2)c(C#N)c[nH+]1 ZINC000425238122 534031371 /nfs/dbraw/zinc/03/13/71/534031371.db2.gz UNCNSTBGJWUZOO-CQSZACIVSA-N 1 2 261.325 0.883 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068957694 520745229 /nfs/dbraw/zinc/74/52/29/520745229.db2.gz UTJOPLHWEAWTFW-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068957694 520745239 /nfs/dbraw/zinc/74/52/39/520745239.db2.gz UTJOPLHWEAWTFW-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO N#CCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000352727372 534621956 /nfs/dbraw/zinc/62/19/56/534621956.db2.gz GDOOPQLIVRUUAW-UHFFFAOYSA-N 1 2 254.315 0.332 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665941146 545110196 /nfs/dbraw/zinc/11/01/96/545110196.db2.gz UJFSYSGDRXFGDO-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665941146 545110197 /nfs/dbraw/zinc/11/01/97/545110197.db2.gz UJFSYSGDRXFGDO-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(=O)N1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329334164 526640255 /nfs/dbraw/zinc/64/02/55/526640255.db2.gz NWDUBPKGPNYVCY-CYBMUJFWSA-N 1 2 295.383 0.819 20 30 CCEDLO CC(C)(CNC(=O)N[C@H]1[C@@H]2COC[C@@H]21)[NH+]1CCOCC1 ZINC000329921740 526949601 /nfs/dbraw/zinc/94/96/01/526949601.db2.gz HRTUVLQSOSVIEI-GDNZZTSVSA-N 1 2 283.372 0.246 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000354685146 527089943 /nfs/dbraw/zinc/08/99/43/527089943.db2.gz ZOCBCKYVJBIVDL-LBPRGKRZSA-N 1 2 283.372 0.087 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347036628 527143318 /nfs/dbraw/zinc/14/33/18/527143318.db2.gz VTQOCWBXDDKJDE-LBPRGKRZSA-N 1 2 290.367 0.787 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000668169663 545165981 /nfs/dbraw/zinc/16/59/81/545165981.db2.gz XCIIMOLYHIXDCF-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000668169663 545165982 /nfs/dbraw/zinc/16/59/82/545165982.db2.gz XCIIMOLYHIXDCF-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO CC(C)OCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000347394845 527958736 /nfs/dbraw/zinc/95/87/36/527958736.db2.gz ZZUZCQJRXKIWGJ-UHFFFAOYSA-N 1 2 285.413 0.812 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000331583383 528370490 /nfs/dbraw/zinc/37/04/90/528370490.db2.gz TVKROIISEMAYOY-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000331583383 528370497 /nfs/dbraw/zinc/37/04/97/528370497.db2.gz TVKROIISEMAYOY-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000330211328 528842489 /nfs/dbraw/zinc/84/24/89/528842489.db2.gz JCGXGFWWOIWOTQ-KBPBESRZSA-N 1 2 299.415 0.883 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000450487549 529294292 /nfs/dbraw/zinc/29/42/92/529294292.db2.gz VIWKPWDTWPJUMI-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000450487549 529294295 /nfs/dbraw/zinc/29/42/95/529294295.db2.gz VIWKPWDTWPJUMI-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000677818160 545373330 /nfs/dbraw/zinc/37/33/30/545373330.db2.gz GPBPJUSVJHURMH-UHFFFAOYSA-N 1 2 275.352 0.433 20 30 CCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncncc1C#N ZINC000517930321 536375197 /nfs/dbraw/zinc/37/51/97/536375197.db2.gz RSUQHLFBEYVRTC-UHFFFAOYSA-N 1 2 275.356 0.895 20 30 CCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncncc1C#N ZINC000517930321 536375201 /nfs/dbraw/zinc/37/52/01/536375201.db2.gz RSUQHLFBEYVRTC-UHFFFAOYSA-N 1 2 275.356 0.895 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000680832461 545435663 /nfs/dbraw/zinc/43/56/63/545435663.db2.gz BSUORZHMEBIHRR-LLVKDONJSA-N 1 2 277.372 0.957 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274812 581103341 /nfs/dbraw/zinc/10/33/41/581103341.db2.gz DLADSOYJYNEVHM-RYUDHWBXSA-N 1 2 298.346 0.875 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274812 581103342 /nfs/dbraw/zinc/10/33/42/581103342.db2.gz DLADSOYJYNEVHM-RYUDHWBXSA-N 1 2 298.346 0.875 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(=O)c1C#N ZINC000788383990 581109673 /nfs/dbraw/zinc/10/96/73/581109673.db2.gz PGKRYDFHQGMLPK-OAHLLOKOSA-N 1 2 286.335 0.198 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(=O)c1C#N ZINC000788383990 581109674 /nfs/dbraw/zinc/10/96/74/581109674.db2.gz PGKRYDFHQGMLPK-OAHLLOKOSA-N 1 2 286.335 0.198 20 30 CCEDLO C#CCSCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777554951 581119789 /nfs/dbraw/zinc/11/97/89/581119789.db2.gz MMXUSVSYCWWSRL-NSHDSACASA-N 1 2 278.381 0.864 20 30 CCEDLO Cc1ccc2[nH+]c(CN=Nc3ccc(C(N)=O)nn3)cn2c1 ZINC000789022793 581131181 /nfs/dbraw/zinc/13/11/81/581131181.db2.gz FLAVURDUILHVLK-UHFFFAOYSA-N 1 2 295.306 0.978 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCCc1ccncc1 ZINC000789096328 581134086 /nfs/dbraw/zinc/13/40/86/581134086.db2.gz AKDAQZAUBLDISK-UHFFFAOYSA-N 1 2 272.312 0.629 20 30 CCEDLO C#CCOCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789186601 581137029 /nfs/dbraw/zinc/13/70/29/581137029.db2.gz SAGHETYWJQWREA-CQSZACIVSA-N 1 2 289.335 0.894 20 30 CCEDLO C#Cc1ccc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)nc1 ZINC000782263732 581143609 /nfs/dbraw/zinc/14/36/09/581143609.db2.gz DEJDMURBAUXXQH-LBPRGKRZSA-N 1 2 274.320 0.940 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000790132617 581177583 /nfs/dbraw/zinc/17/75/83/581177583.db2.gz PNZWXIBTINGGJE-CYBMUJFWSA-N 1 2 287.363 0.856 20 30 CCEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N(C)C)cn1 ZINC000790161515 581178369 /nfs/dbraw/zinc/17/83/69/581178369.db2.gz HMTAVEPRIHSGNI-UHFFFAOYSA-N 1 2 295.412 0.934 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779433450 581185276 /nfs/dbraw/zinc/18/52/76/581185276.db2.gz YXOAEXHOYFEZAT-CQSZACIVSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779433450 581185278 /nfs/dbraw/zinc/18/52/78/581185278.db2.gz YXOAEXHOYFEZAT-CQSZACIVSA-N 1 2 299.330 0.435 20 30 CCEDLO Cc1cc2c(c(F)c1)NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000779802531 581207426 /nfs/dbraw/zinc/20/74/26/581207426.db2.gz HQTGROJUEFZNFA-ZETCQYMHSA-N 1 2 275.287 0.728 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000780381807 581226784 /nfs/dbraw/zinc/22/67/84/581226784.db2.gz WHCQIOUJPUQOQN-UHFFFAOYSA-N 1 2 279.384 0.590 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000780381807 581226785 /nfs/dbraw/zinc/22/67/85/581226785.db2.gz WHCQIOUJPUQOQN-UHFFFAOYSA-N 1 2 279.384 0.590 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC1 ZINC000780764685 581244902 /nfs/dbraw/zinc/24/49/02/581244902.db2.gz IVYNVSOBODOAMT-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC1 ZINC000780764685 581244904 /nfs/dbraw/zinc/24/49/04/581244904.db2.gz IVYNVSOBODOAMT-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C#N)CCO1 ZINC000781934254 581281370 /nfs/dbraw/zinc/28/13/70/581281370.db2.gz OVUINDBSEOJEQL-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C#N)CCO1 ZINC000781934254 581281372 /nfs/dbraw/zinc/28/13/72/581281372.db2.gz OVUINDBSEOJEQL-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000726985124 581290497 /nfs/dbraw/zinc/29/04/97/581290497.db2.gz HJNVEGIPRBHTPG-UHFFFAOYSA-N 1 2 274.368 0.911 20 30 CCEDLO C=CCNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795134119 581320918 /nfs/dbraw/zinc/32/09/18/581320918.db2.gz YRUNJEAVIDGCCS-VXGBXAGGSA-N 1 2 269.414 0.842 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2C)c1 ZINC000728756824 581369948 /nfs/dbraw/zinc/36/99/48/581369948.db2.gz KXQJYHLAVAGDPS-UHFFFAOYSA-N 1 2 282.303 0.656 20 30 CCEDLO Cc1ccnc(N2CC[NH+](CC[S@](C)=O)CC2)c1C#N ZINC000784164292 581375057 /nfs/dbraw/zinc/37/50/57/581375057.db2.gz ZCKBKDMZUULREU-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1nnc2ccccn21 ZINC000795177103 581400579 /nfs/dbraw/zinc/40/05/79/581400579.db2.gz LSTNQBNNGWBTCY-SNVBAGLBSA-N 1 2 272.312 0.410 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1 ZINC000796427429 581440418 /nfs/dbraw/zinc/44/04/18/581440418.db2.gz CXTJYFXZUOSUQM-JSGCOSHPSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796607620 581446395 /nfs/dbraw/zinc/44/63/95/581446395.db2.gz VKFFXNJQKQDQHS-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796607620 581446396 /nfs/dbraw/zinc/44/63/96/581446396.db2.gz VKFFXNJQKQDQHS-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000796636928 581446670 /nfs/dbraw/zinc/44/66/70/581446670.db2.gz DBKJEUIGSSWFTA-MRVPVSSYSA-N 1 2 253.252 0.760 20 30 CCEDLO N#CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000787354388 581468821 /nfs/dbraw/zinc/46/88/21/581468821.db2.gz CYDUSLNTBSXGNV-UHFFFAOYSA-N 1 2 273.340 0.822 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)nc1 ZINC000728865973 581516081 /nfs/dbraw/zinc/51/60/81/581516081.db2.gz BBYCYZCXXIAVFM-UHFFFAOYSA-N 1 2 273.336 0.467 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000729448919 581594150 /nfs/dbraw/zinc/59/41/50/581594150.db2.gz GLLWPFVCBMKXBG-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO CNC(=O)CC[N@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739912865 581634250 /nfs/dbraw/zinc/63/42/50/581634250.db2.gz WMJGNWDEMFLQSF-CQSZACIVSA-N 1 2 289.335 0.840 20 30 CCEDLO CNC(=O)CC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739912865 581634254 /nfs/dbraw/zinc/63/42/54/581634254.db2.gz WMJGNWDEMFLQSF-CQSZACIVSA-N 1 2 289.335 0.840 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CCOC)nn1C ZINC000769318029 581683646 /nfs/dbraw/zinc/68/36/46/581683646.db2.gz FJVKFBHLJJUPCM-ZDUSSCGKSA-N 1 2 290.367 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CCOC)nn1C ZINC000769318029 581683649 /nfs/dbraw/zinc/68/36/49/581683649.db2.gz FJVKFBHLJJUPCM-ZDUSSCGKSA-N 1 2 290.367 0.645 20 30 CCEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(N)cc1C ZINC000758111214 581721814 /nfs/dbraw/zinc/72/18/14/581721814.db2.gz SPGFXZSNFZCUKV-UHFFFAOYSA-N 1 2 293.396 0.511 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000758212326 581727513 /nfs/dbraw/zinc/72/75/13/581727513.db2.gz BCHDMCYNZWWJDS-UHFFFAOYSA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000758212326 581727517 /nfs/dbraw/zinc/72/75/17/581727517.db2.gz BCHDMCYNZWWJDS-UHFFFAOYSA-N 1 2 255.387 0.195 20 30 CCEDLO Cc1ccn(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1C#N ZINC000758231912 581729939 /nfs/dbraw/zinc/72/99/39/581729939.db2.gz OYOSLKJJMNCDRV-TXEJJXNPSA-N 1 2 259.309 0.849 20 30 CCEDLO Cc1ccn(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1C#N ZINC000758231912 581729944 /nfs/dbraw/zinc/72/99/44/581729944.db2.gz OYOSLKJJMNCDRV-TXEJJXNPSA-N 1 2 259.309 0.849 20 30 CCEDLO Cc1ccn(C[N@H+]2CCOC[C@H](C)C2)c(=O)c1C#N ZINC000758240751 581731496 /nfs/dbraw/zinc/73/14/96/581731496.db2.gz ILTHLCOOKQEVFW-LLVKDONJSA-N 1 2 261.325 0.954 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCOC[C@H](C)C2)c(=O)c1C#N ZINC000758240751 581731498 /nfs/dbraw/zinc/73/14/98/581731498.db2.gz ILTHLCOOKQEVFW-LLVKDONJSA-N 1 2 261.325 0.954 20 30 CCEDLO N#Cc1nc(NC(=O)CCCn2cc[nH+]c2)[nH]c1C#N ZINC000741282360 581744160 /nfs/dbraw/zinc/74/41/60/581744160.db2.gz NXIJVEGLILEPPX-UHFFFAOYSA-N 1 2 269.268 0.768 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000731847296 581783268 /nfs/dbraw/zinc/78/32/68/581783268.db2.gz GMLGNUPIVAZHBR-OAHLLOKOSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000731847296 581783271 /nfs/dbraw/zinc/78/32/71/581783271.db2.gz GMLGNUPIVAZHBR-OAHLLOKOSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000731843741 581783510 /nfs/dbraw/zinc/78/35/10/581783510.db2.gz WTXZLHNYHWVGTL-SCZZXKLOSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000731843741 581783512 /nfs/dbraw/zinc/78/35/12/581783512.db2.gz WTXZLHNYHWVGTL-SCZZXKLOSA-N 1 2 264.247 0.123 20 30 CCEDLO CN(C)c1ccc(C=[NH+]NC(=S)NCC(N)=O)cc1F ZINC000731930085 581794593 /nfs/dbraw/zinc/79/45/93/581794593.db2.gz OXGGPJNNJUYVSJ-UHFFFAOYSA-N 1 2 297.359 0.175 20 30 CCEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000731947672 581796165 /nfs/dbraw/zinc/79/61/65/581796165.db2.gz INAVGBFQPJDBTM-LLVKDONJSA-N 1 2 256.419 0.272 20 30 CCEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000731947672 581796168 /nfs/dbraw/zinc/79/61/68/581796168.db2.gz INAVGBFQPJDBTM-LLVKDONJSA-N 1 2 256.419 0.272 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])cnc1-n1c[nH+]c(CCCO)c1 ZINC000732043307 581798534 /nfs/dbraw/zinc/79/85/34/581798534.db2.gz UEHMXAXPWOVRCI-UHFFFAOYSA-N 1 2 273.252 0.972 20 30 CCEDLO N#Cc1ccnc(-n2c[nH+]c(CCCO)c2)c1[N+](=O)[O-] ZINC000760461685 581860902 /nfs/dbraw/zinc/86/09/02/581860902.db2.gz VNHLHCAJLLLCHD-UHFFFAOYSA-N 1 2 273.252 0.972 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000733160807 581868950 /nfs/dbraw/zinc/86/89/50/581868950.db2.gz BVINLLZQVFNMLI-UHFFFAOYSA-N 1 2 285.303 0.924 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000733162138 581869510 /nfs/dbraw/zinc/86/95/10/581869510.db2.gz IROXXNLFNKOZRV-UHFFFAOYSA-N 1 2 268.320 0.954 20 30 CCEDLO COC(=O)/C(C)=C\C[NH+]1CCN(CCC#N)CC1 ZINC000760943967 581880458 /nfs/dbraw/zinc/88/04/58/581880458.db2.gz NTRVPKPUGXKSJW-QCDXTXTGSA-N 1 2 251.330 0.637 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761047576 581883944 /nfs/dbraw/zinc/88/39/44/581883944.db2.gz LGRQDUOWKNJCGL-MRVPVSSYSA-N 1 2 279.262 0.882 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761047576 581883946 /nfs/dbraw/zinc/88/39/46/581883946.db2.gz LGRQDUOWKNJCGL-MRVPVSSYSA-N 1 2 279.262 0.882 20 30 CCEDLO C#C[C@H](NC(=O)NCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000773564395 581934051 /nfs/dbraw/zinc/93/40/51/581934051.db2.gz ZBRILYIGXKXUMT-STQMWFEESA-N 1 2 288.351 0.974 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC(F)F)C(=O)OC ZINC000762401643 581943089 /nfs/dbraw/zinc/94/30/89/581943089.db2.gz DGLIHDNOCWZWQZ-ZJUUUORDSA-N 1 2 288.294 0.397 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC(F)F)C(=O)OC ZINC000762401643 581943093 /nfs/dbraw/zinc/94/30/93/581943093.db2.gz DGLIHDNOCWZWQZ-ZJUUUORDSA-N 1 2 288.294 0.397 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894283 581945825 /nfs/dbraw/zinc/94/58/25/581945825.db2.gz ILRIGCIWEKDWFF-JTQLQIEISA-N 1 2 269.345 0.089 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000762925096 581972304 /nfs/dbraw/zinc/97/23/04/581972304.db2.gz BDVHOAYWUVPEGF-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000762925096 581972306 /nfs/dbraw/zinc/97/23/06/581972306.db2.gz BDVHOAYWUVPEGF-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749804545 582022610 /nfs/dbraw/zinc/02/26/10/582022610.db2.gz HGFNEWBMWHGYFJ-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749804545 582022612 /nfs/dbraw/zinc/02/26/12/582022612.db2.gz HGFNEWBMWHGYFJ-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)[C@@H]1CCCO1 ZINC000776000721 582048411 /nfs/dbraw/zinc/04/84/11/582048411.db2.gz MLYXEEPJBVLGHZ-OLZOCXBDSA-N 1 2 291.351 0.867 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000776036643 582050195 /nfs/dbraw/zinc/05/01/95/582050195.db2.gz PAFMSIUFFVZJHC-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000776036643 582050196 /nfs/dbraw/zinc/05/01/96/582050196.db2.gz PAFMSIUFFVZJHC-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000750949486 582065883 /nfs/dbraw/zinc/06/58/83/582065883.db2.gz FIZLTMGUWQUQJQ-AXLKIAQESA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c1O ZINC000750949486 582065885 /nfs/dbraw/zinc/06/58/85/582065885.db2.gz FIZLTMGUWQUQJQ-AXLKIAQESA-N 1 2 293.367 0.728 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776608344 582084552 /nfs/dbraw/zinc/08/45/52/582084552.db2.gz SUXAPLWIJWPWAA-OAHLLOKOSA-N 1 2 272.348 0.679 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776608344 582084554 /nfs/dbraw/zinc/08/45/54/582084554.db2.gz SUXAPLWIJWPWAA-OAHLLOKOSA-N 1 2 272.348 0.679 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)OCC[NH+]1CCOCC1 ZINC000751733969 582091184 /nfs/dbraw/zinc/09/11/84/582091184.db2.gz LAJGXTGPKPICFG-UHFFFAOYSA-N 1 2 263.297 0.386 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000776957835 582093774 /nfs/dbraw/zinc/09/37/74/582093774.db2.gz HDLONTQQCTVOMU-JTQLQIEISA-N 1 2 256.265 0.699 20 30 CCEDLO CC[N@H+](CC(=O)NC)Cc1cnc2ccc(C#N)cn12 ZINC000768304067 582105464 /nfs/dbraw/zinc/10/54/64/582105464.db2.gz WAARYIGVYRONMC-UHFFFAOYSA-N 1 2 271.324 0.774 20 30 CCEDLO CC[N@@H+](CC(=O)NC)Cc1cnc2ccc(C#N)cn12 ZINC000768304067 582105465 /nfs/dbraw/zinc/10/54/65/582105465.db2.gz WAARYIGVYRONMC-UHFFFAOYSA-N 1 2 271.324 0.774 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000830787087 612998733 /nfs/dbraw/zinc/99/87/33/612998733.db2.gz OZFCLKOTAOHHNB-CYBMUJFWSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000830787087 612998735 /nfs/dbraw/zinc/99/87/35/612998735.db2.gz OZFCLKOTAOHHNB-CYBMUJFWSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCSCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890297015 613008896 /nfs/dbraw/zinc/00/88/96/613008896.db2.gz DAOWDNFIWCEEMZ-LBPRGKRZSA-N 1 2 270.398 0.532 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000896050928 613011949 /nfs/dbraw/zinc/01/19/49/613011949.db2.gz XNMVFYNUGFZZIU-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000896050928 613011950 /nfs/dbraw/zinc/01/19/50/613011950.db2.gz XNMVFYNUGFZZIU-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000154392286 613017367 /nfs/dbraw/zinc/01/73/67/613017367.db2.gz AQTWLLMTTDEWBJ-QWHCGFSZSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000931151405 612952452 /nfs/dbraw/zinc/95/24/52/612952452.db2.gz NCMHKIFGKZWHFD-UHFFFAOYSA-N 1 2 265.269 0.851 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000854541456 613056870 /nfs/dbraw/zinc/05/68/70/613056870.db2.gz IJPYUJYAFDGPKL-RDBSUJKOSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000854541456 613056872 /nfs/dbraw/zinc/05/68/72/613056872.db2.gz IJPYUJYAFDGPKL-RDBSUJKOSA-N 1 2 282.384 0.376 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@@H+](C)C2)o1 ZINC000822423086 606777274 /nfs/dbraw/zinc/77/72/74/606777274.db2.gz HNHYQGSVQFGAFG-ZCFIWIBFSA-N 1 2 276.304 0.655 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@H+](C)C2)o1 ZINC000822423086 606777276 /nfs/dbraw/zinc/77/72/76/606777276.db2.gz HNHYQGSVQFGAFG-ZCFIWIBFSA-N 1 2 276.304 0.655 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000858088452 613062897 /nfs/dbraw/zinc/06/28/97/613062897.db2.gz FIIOIVOQUSCZNA-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858235803 613064059 /nfs/dbraw/zinc/06/40/59/613064059.db2.gz RRWYQEFYGIHNAY-MELADBBJSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)C1 ZINC000890525126 612958138 /nfs/dbraw/zinc/95/81/38/612958138.db2.gz MDHWSZULDHXIHZ-OLZOCXBDSA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)C1 ZINC000890525126 612958140 /nfs/dbraw/zinc/95/81/40/612958140.db2.gz MDHWSZULDHXIHZ-OLZOCXBDSA-N 1 2 280.368 0.082 20 30 CCEDLO C=CCS(=O)(=O)CCNCc1c[nH+]c(C)n1C ZINC000850243642 613885860 /nfs/dbraw/zinc/88/58/60/613885860.db2.gz DSBSLLZHDGXAHM-UHFFFAOYSA-N 1 2 257.359 0.419 20 30 CCEDLO CC(C)(CNC(=O)CSCC#N)n1cc[nH+]c1 ZINC000912616822 614096180 /nfs/dbraw/zinc/09/61/80/614096180.db2.gz NBDXWFFMERWNLH-UHFFFAOYSA-N 1 2 252.343 0.991 20 30 CCEDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065934 617305435 /nfs/dbraw/zinc/30/54/35/617305435.db2.gz JQVDPYRGCOVSQH-UHFFFAOYSA-N 1 2 289.335 0.959 20 30 CCEDLO C#CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881750612 612957029 /nfs/dbraw/zinc/95/70/29/612957029.db2.gz HNHSORDJIDCJLN-UHFFFAOYSA-N 1 2 264.350 0.586 20 30 CCEDLO C#CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881750612 612957030 /nfs/dbraw/zinc/95/70/30/612957030.db2.gz HNHSORDJIDCJLN-UHFFFAOYSA-N 1 2 264.350 0.586 20 30 CCEDLO C#CCCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923773627 612982852 /nfs/dbraw/zinc/98/28/52/612982852.db2.gz NOSDYMDIQLYAEB-KGLIPLIRSA-N 1 2 281.352 0.823 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000851821093 612983512 /nfs/dbraw/zinc/98/35/12/612983512.db2.gz MYXBHVBTLTYNNQ-UHFFFAOYSA-N 1 2 273.336 0.489 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000853619888 612989185 /nfs/dbraw/zinc/98/91/85/612989185.db2.gz MDQGNOZHBUFTSA-CYBMUJFWSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000853619888 612989186 /nfs/dbraw/zinc/98/91/86/612989186.db2.gz MDQGNOZHBUFTSA-CYBMUJFWSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000822955790 612996330 /nfs/dbraw/zinc/99/63/30/612996330.db2.gz HRBCVJLHFBRCBM-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000822955790 612996331 /nfs/dbraw/zinc/99/63/31/612996331.db2.gz HRBCVJLHFBRCBM-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765476 612996805 /nfs/dbraw/zinc/99/68/05/612996805.db2.gz SQUOFKREUBBVPK-JTQLQIEISA-N 1 2 281.381 0.859 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000830194820 613011942 /nfs/dbraw/zinc/01/19/42/613011942.db2.gz AFGKZOBNHNFZST-UHFFFAOYSA-N 1 2 297.424 0.897 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000888191282 613046030 /nfs/dbraw/zinc/04/60/30/613046030.db2.gz ICTDBZMNFUGKER-HUUCEWRRSA-N 1 2 292.427 0.677 20 30 CCEDLO C#CCCOC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000859156015 613049592 /nfs/dbraw/zinc/04/95/92/613049592.db2.gz PLXRMNZSNGNZIA-STQMWFEESA-N 1 2 266.341 0.941 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000858141842 613051430 /nfs/dbraw/zinc/05/14/30/613051430.db2.gz SALFZRJSCUHYKI-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000915488226 613055244 /nfs/dbraw/zinc/05/52/44/613055244.db2.gz NYCLZVQPGZXUAU-GFCCVEGCSA-N 1 2 291.351 0.890 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897656440 613058685 /nfs/dbraw/zinc/05/86/85/613058685.db2.gz DKALCEJHCCWLOF-RISCZKNCSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897656440 613058686 /nfs/dbraw/zinc/05/86/86/613058686.db2.gz DKALCEJHCCWLOF-RISCZKNCSA-N 1 2 290.367 0.681 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000877480523 613079767 /nfs/dbraw/zinc/07/97/67/613079767.db2.gz XYLXEPGWGGBUEP-SECBINFHSA-N 1 2 270.329 0.927 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000877480523 613079768 /nfs/dbraw/zinc/07/97/68/613079768.db2.gz XYLXEPGWGGBUEP-SECBINFHSA-N 1 2 270.329 0.927 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC000972008686 613081451 /nfs/dbraw/zinc/08/14/51/613081451.db2.gz LCIJSFDHRAYZIX-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC000972008686 613081452 /nfs/dbraw/zinc/08/14/52/613081452.db2.gz LCIJSFDHRAYZIX-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820399251 613081439 /nfs/dbraw/zinc/08/14/39/613081439.db2.gz CIPINPILTAQTLR-UTUOFQBUSA-N 1 2 251.330 0.171 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820399251 613081440 /nfs/dbraw/zinc/08/14/40/613081440.db2.gz CIPINPILTAQTLR-UTUOFQBUSA-N 1 2 251.330 0.171 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925589037 613100032 /nfs/dbraw/zinc/10/00/32/613100032.db2.gz CFAHALYPDYIVKH-OAHLLOKOSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CC[N@@H+](CC)Cc1ccc(S(N)(=O)=O)s1 ZINC000876638642 613106751 /nfs/dbraw/zinc/10/67/51/613106751.db2.gz DKRLXXSZDLRPJF-UHFFFAOYSA-N 1 2 258.368 0.851 20 30 CCEDLO C#CC[N@H+](CC)Cc1ccc(S(N)(=O)=O)s1 ZINC000876638642 613106753 /nfs/dbraw/zinc/10/67/53/613106753.db2.gz DKRLXXSZDLRPJF-UHFFFAOYSA-N 1 2 258.368 0.851 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC000941292745 613115063 /nfs/dbraw/zinc/11/50/63/613115063.db2.gz NDXWNRNJDUPTBD-GXTWGEPZSA-N 1 2 261.369 0.104 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC3(C)C)CC2)C1 ZINC000941527847 613115107 /nfs/dbraw/zinc/11/51/07/613115107.db2.gz AGCWKGOHDXUANS-HNNXBMFYSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C(C)(F)F)CC2)C1 ZINC000941571392 613115173 /nfs/dbraw/zinc/11/51/73/613115173.db2.gz VDLDEYPNERVCHO-GFCCVEGCSA-N 1 2 299.365 0.739 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)SC)CC2)C1 ZINC000941322466 613115320 /nfs/dbraw/zinc/11/53/20/613115320.db2.gz DNOSDBKWDUKWRE-GFCCVEGCSA-N 1 2 281.425 0.200 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000854770606 613126957 /nfs/dbraw/zinc/12/69/57/613126957.db2.gz KKCBQAUZOPSIDP-ZIAGYGMSSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccco2)CC1 ZINC000921437942 613138521 /nfs/dbraw/zinc/13/85/21/613138521.db2.gz LGLYNNUKBWRCBY-UHFFFAOYSA-N 1 2 268.338 0.656 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000875506835 613143812 /nfs/dbraw/zinc/14/38/12/613143812.db2.gz PRCIQOMZJOWEKN-WXHSDQCUSA-N 1 2 274.324 0.288 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)[C@@H]1CCCO1 ZINC000865531099 613151135 /nfs/dbraw/zinc/15/11/35/613151135.db2.gz GOGMPNFUQVFNQJ-KKUMJFAQSA-N 1 2 290.367 0.728 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000847029406 613159443 /nfs/dbraw/zinc/15/94/43/613159443.db2.gz JYTAVNSATKOYDY-JTQLQIEISA-N 1 2 260.345 0.365 20 30 CCEDLO C#C[C@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000847029406 613159445 /nfs/dbraw/zinc/15/94/45/613159445.db2.gz JYTAVNSATKOYDY-JTQLQIEISA-N 1 2 260.345 0.365 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)COC)C1 ZINC000885512115 613175846 /nfs/dbraw/zinc/17/58/46/613175846.db2.gz RQCQIUAJSDIVRZ-NWDGAFQWSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)COC)C1 ZINC000885512115 613175848 /nfs/dbraw/zinc/17/58/48/613175848.db2.gz RQCQIUAJSDIVRZ-NWDGAFQWSA-N 1 2 274.386 0.038 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000895583924 613169939 /nfs/dbraw/zinc/16/99/39/613169939.db2.gz ADRVTKFIANJYPO-UHFFFAOYSA-N 1 2 258.321 0.418 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000885509492 613175590 /nfs/dbraw/zinc/17/55/90/613175590.db2.gz UHNHXWRLHFYISL-CYBMUJFWSA-N 1 2 297.424 0.943 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000885509492 613175591 /nfs/dbraw/zinc/17/55/91/613175591.db2.gz UHNHXWRLHFYISL-CYBMUJFWSA-N 1 2 297.424 0.943 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)COC)C1 ZINC000885512225 613175877 /nfs/dbraw/zinc/17/58/77/613175877.db2.gz UMPTZUUMHVTOSP-CHWSQXEVSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)COC)C1 ZINC000885512225 613175878 /nfs/dbraw/zinc/17/58/78/613175878.db2.gz UMPTZUUMHVTOSP-CHWSQXEVSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccon2)C1 ZINC000885511576 613175917 /nfs/dbraw/zinc/17/59/17/613175917.db2.gz JZNSXIGNQYIZFE-LLVKDONJSA-N 1 2 283.353 0.192 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccon2)C1 ZINC000885511576 613175918 /nfs/dbraw/zinc/17/59/18/613175918.db2.gz JZNSXIGNQYIZFE-LLVKDONJSA-N 1 2 283.353 0.192 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCCCC2)C1 ZINC000885513644 613176161 /nfs/dbraw/zinc/17/61/61/613176161.db2.gz BDUKVLKGVRDTAK-CYBMUJFWSA-N 1 2 285.413 0.404 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCCC2)C1 ZINC000885513644 613176164 /nfs/dbraw/zinc/17/61/64/613176164.db2.gz BDUKVLKGVRDTAK-CYBMUJFWSA-N 1 2 285.413 0.404 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC(=O)[C@@H]2C)C1 ZINC000924034626 613183687 /nfs/dbraw/zinc/18/36/87/613183687.db2.gz FBNIXNWMDWKHPD-STQMWFEESA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC(=O)[C@@H]2C)C1 ZINC000924034626 613183689 /nfs/dbraw/zinc/18/36/89/613183689.db2.gz FBNIXNWMDWKHPD-STQMWFEESA-N 1 2 277.368 0.847 20 30 CCEDLO C#Cc1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883294116 613194467 /nfs/dbraw/zinc/19/44/67/613194467.db2.gz PNJPALFAWCJTOC-UHFFFAOYSA-N 1 2 281.319 0.293 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncnn1C ZINC000834307510 613200450 /nfs/dbraw/zinc/20/04/50/613200450.db2.gz YJWSFSLPHFDTRQ-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncnn1C ZINC000834307510 613200452 /nfs/dbraw/zinc/20/04/52/613200452.db2.gz YJWSFSLPHFDTRQ-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@@H](C)CCC ZINC000846368030 613202059 /nfs/dbraw/zinc/20/20/59/613202059.db2.gz PLAVYEUTHICRIY-MJBXVCDLSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@@H](C)CCC ZINC000846368030 613202060 /nfs/dbraw/zinc/20/20/60/613202060.db2.gz PLAVYEUTHICRIY-MJBXVCDLSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CCN1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000895898377 613204442 /nfs/dbraw/zinc/20/44/42/613204442.db2.gz PWHAXFFMAAMDAT-UHFFFAOYSA-N 1 2 274.368 0.704 20 30 CCEDLO C#CCN1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900689417 613205862 /nfs/dbraw/zinc/20/58/62/613205862.db2.gz KGXNBSLOVAYGJR-UHFFFAOYSA-N 1 2 258.325 0.271 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H]([C@H]3CCCO3)CC2=O)CC1 ZINC000902040394 613209281 /nfs/dbraw/zinc/20/92/81/613209281.db2.gz CRQFGZQATOBICI-LSDHHAIUSA-N 1 2 291.395 0.222 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972514751 613211383 /nfs/dbraw/zinc/21/13/83/613211383.db2.gz PVMKMZCWSQYUFO-HWMZRRJGSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972514751 613211385 /nfs/dbraw/zinc/21/13/85/613211385.db2.gz PVMKMZCWSQYUFO-HWMZRRJGSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972347305 613212910 /nfs/dbraw/zinc/21/29/10/613212910.db2.gz TYJKBMAYKQYILI-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972347305 613212911 /nfs/dbraw/zinc/21/29/11/613212911.db2.gz TYJKBMAYKQYILI-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972510955 613213088 /nfs/dbraw/zinc/21/30/88/613213088.db2.gz QYYZYMVVZUYZFZ-UKRRQHHQSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972510955 613213090 /nfs/dbraw/zinc/21/30/90/613213090.db2.gz QYYZYMVVZUYZFZ-UKRRQHHQSA-N 1 2 282.359 0.917 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000981735968 613240155 /nfs/dbraw/zinc/24/01/55/613240155.db2.gz PDVNDAOUSVNALG-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000981735968 613240157 /nfs/dbraw/zinc/24/01/57/613240157.db2.gz PDVNDAOUSVNALG-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]nc2C)C1 ZINC000951107753 613296062 /nfs/dbraw/zinc/29/60/62/613296062.db2.gz JJLDBFHSDMWAAA-UHFFFAOYSA-N 1 2 263.345 0.836 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000977356520 613342576 /nfs/dbraw/zinc/34/25/76/613342576.db2.gz QIWRYNUBRDIXPN-JTQLQIEISA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000977356520 613342577 /nfs/dbraw/zinc/34/25/77/613342577.db2.gz QIWRYNUBRDIXPN-JTQLQIEISA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298290 613360036 /nfs/dbraw/zinc/36/00/36/613360036.db2.gz HDFMLZOIMYYXKF-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298290 613360037 /nfs/dbraw/zinc/36/00/37/613360037.db2.gz HDFMLZOIMYYXKF-GHMZBOCLSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276697 613373544 /nfs/dbraw/zinc/37/35/44/613373544.db2.gz QPKYEMTYSZPHNV-GFCCVEGCSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000981276697 613373545 /nfs/dbraw/zinc/37/35/45/613373545.db2.gz QPKYEMTYSZPHNV-GFCCVEGCSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ncoc2C)[C@H](O)C1 ZINC000957907028 613380418 /nfs/dbraw/zinc/38/04/18/613380418.db2.gz WDOHBQXBVUTIGX-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ncoc2C)[C@H](O)C1 ZINC000957907028 613380419 /nfs/dbraw/zinc/38/04/19/613380419.db2.gz WDOHBQXBVUTIGX-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859423 613380574 /nfs/dbraw/zinc/38/05/74/613380574.db2.gz PAIMUSMFCVCCQN-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859423 613380575 /nfs/dbraw/zinc/38/05/75/613380575.db2.gz PAIMUSMFCVCCQN-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000905760720 613405725 /nfs/dbraw/zinc/40/57/25/613405725.db2.gz BKOVMBZMLKFXOG-LLVKDONJSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)C(=O)OC ZINC000905766009 613418999 /nfs/dbraw/zinc/41/89/99/613418999.db2.gz GIASXSAJBFRLKG-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000931925198 613447931 /nfs/dbraw/zinc/44/79/31/613447931.db2.gz AHPHLSCXFSDCMA-LBPRGKRZSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000931925198 613447933 /nfs/dbraw/zinc/44/79/33/613447933.db2.gz AHPHLSCXFSDCMA-LBPRGKRZSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823310934 613452691 /nfs/dbraw/zinc/45/26/91/613452691.db2.gz HGVKOJMJZBRZFO-MNOVXSKESA-N 1 2 251.330 0.961 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000828984128 613455342 /nfs/dbraw/zinc/45/53/42/613455342.db2.gz VPZMEHSQUHSTRI-SECBINFHSA-N 1 2 287.266 0.752 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc(Br)nn1C ZINC000895340611 613492647 /nfs/dbraw/zinc/49/26/47/613492647.db2.gz YEEOSLLBFRDGID-ZCFIWIBFSA-N 1 2 261.123 0.214 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC000941564119 613528991 /nfs/dbraw/zinc/52/89/91/613528991.db2.gz YGHXIPASPUCMJM-UHFFFAOYSA-N 1 2 293.386 0.588 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC000941363102 613529732 /nfs/dbraw/zinc/52/97/32/613529732.db2.gz MNVMBGKBSSJWKC-CQSZACIVSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000970039600 613540444 /nfs/dbraw/zinc/54/04/44/613540444.db2.gz YIVQTRGFZPTDHU-NSHDSACASA-N 1 2 286.379 0.972 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000957467181 613562525 /nfs/dbraw/zinc/56/25/25/613562525.db2.gz CYTDFHJFCNCBNY-AWEZNQCLSA-N 1 2 291.395 0.603 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000949205166 613562624 /nfs/dbraw/zinc/56/26/24/613562624.db2.gz JGPLZEOOINSHMO-ZDUSSCGKSA-N 1 2 277.368 0.213 20 30 CCEDLO CC#CCN1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957470335 613563366 /nfs/dbraw/zinc/56/33/66/613563366.db2.gz QSHPKOKKXIOGGF-UHFFFAOYSA-N 1 2 260.341 0.428 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838115391 613583430 /nfs/dbraw/zinc/58/34/30/613583430.db2.gz OPWUKCSOLICQEG-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838115391 613583433 /nfs/dbraw/zinc/58/34/33/613583433.db2.gz OPWUKCSOLICQEG-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838115390 613588744 /nfs/dbraw/zinc/58/87/44/613588744.db2.gz OPWUKCSOLICQEG-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838115390 613588746 /nfs/dbraw/zinc/58/87/46/613588746.db2.gz OPWUKCSOLICQEG-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCCn1cc(C(=O)OCCc2c[nH+]cn2C)nn1 ZINC000820686801 613596689 /nfs/dbraw/zinc/59/66/89/613596689.db2.gz PWCXWPDPKAUAHP-UHFFFAOYSA-N 1 2 275.312 0.987 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N(C)OC)nn1 ZINC000858323051 613599289 /nfs/dbraw/zinc/59/92/89/613599289.db2.gz AOMMAPFIAWQQTK-SNVBAGLBSA-N 1 2 267.333 0.352 20 30 CCEDLO CC#CCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923216878 613644390 /nfs/dbraw/zinc/64/43/90/613644390.db2.gz ARQDWUBAXDPGMF-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2C[C@]23CCOC3)nn1 ZINC000887456240 613645217 /nfs/dbraw/zinc/64/52/17/613645217.db2.gz BFHYWOPCTKSEOK-OCCSQVGLSA-N 1 2 260.341 0.818 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cn2)nn1 ZINC000881324396 613645323 /nfs/dbraw/zinc/64/53/23/613645323.db2.gz APQASYGRLNGSHV-UHFFFAOYSA-N 1 2 259.288 0.973 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932932001 613646504 /nfs/dbraw/zinc/64/65/04/613646504.db2.gz HVIHUKFBQVBUJN-UHFFFAOYSA-N 1 2 277.368 0.669 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932932001 613646505 /nfs/dbraw/zinc/64/65/05/613646505.db2.gz HVIHUKFBQVBUJN-UHFFFAOYSA-N 1 2 277.368 0.669 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC000948561745 613708362 /nfs/dbraw/zinc/70/83/62/613708362.db2.gz KSBNWMFIKBJOSO-UHFFFAOYSA-N 1 2 276.384 0.991 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC000950590335 613711087 /nfs/dbraw/zinc/71/10/87/613711087.db2.gz MBGYWUGRWYPYNB-OLZOCXBDSA-N 1 2 250.342 0.908 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000957309116 613711774 /nfs/dbraw/zinc/71/17/74/613711774.db2.gz JJZCPXWWIQTULP-GFCCVEGCSA-N 1 2 274.368 0.845 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000957106835 613713161 /nfs/dbraw/zinc/71/31/61/613713161.db2.gz DGJRLZFWPUAXBP-TZMCWYRMSA-N 1 2 250.342 0.743 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000949788994 613713961 /nfs/dbraw/zinc/71/39/61/613713961.db2.gz SFULWSXTARZZHM-CQSZACIVSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000957568182 613715528 /nfs/dbraw/zinc/71/55/28/613715528.db2.gz MCCDZFUFVLDPBY-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 ZINC000957615507 613716727 /nfs/dbraw/zinc/71/67/27/613716727.db2.gz MZQNFSUDRFGSHT-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972489629 613724256 /nfs/dbraw/zinc/72/42/56/613724256.db2.gz OZMIYYJDBXQKMQ-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972489629 613724260 /nfs/dbraw/zinc/72/42/60/613724260.db2.gz OZMIYYJDBXQKMQ-AWEZNQCLSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csnn3)C2)C1 ZINC000972486060 613724759 /nfs/dbraw/zinc/72/47/59/613724759.db2.gz DUKFRLWQOCJBHI-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csnn3)C2)C1 ZINC000972486060 613724760 /nfs/dbraw/zinc/72/47/60/613724760.db2.gz DUKFRLWQOCJBHI-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnccn3)C2)C1 ZINC000972233555 613727364 /nfs/dbraw/zinc/72/73/64/613727364.db2.gz IKTLJEVQDSGTFZ-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnccn3)C2)C1 ZINC000972233555 613727365 /nfs/dbraw/zinc/72/73/65/613727365.db2.gz IKTLJEVQDSGTFZ-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC000798624095 613764445 /nfs/dbraw/zinc/76/44/45/613764445.db2.gz ZLBBHSMZXKILGU-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000798624095 613764447 /nfs/dbraw/zinc/76/44/47/613764447.db2.gz ZLBBHSMZXKILGU-NWDGAFQWSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1=O ZINC000798396007 613802441 /nfs/dbraw/zinc/80/24/41/613802441.db2.gz QEXFRBPFUDPWAH-KOLCDFICSA-N 1 2 276.344 0.446 20 30 CCEDLO C=CCNC(=S)N1CC[NH+](CCOCCOC)CC1 ZINC000844595590 613856578 /nfs/dbraw/zinc/85/65/78/613856578.db2.gz BQLFCDDTLPBMLY-UHFFFAOYSA-N 1 2 287.429 0.328 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@@H]1CCCO1 ZINC000884103243 613877395 /nfs/dbraw/zinc/87/73/95/613877395.db2.gz DMYXNGTZNKJJMR-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000884470797 613877829 /nfs/dbraw/zinc/87/78/29/613877829.db2.gz AQJLCCHMSNAFEW-UTUOFQBUSA-N 1 2 298.408 0.645 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@H](CC)C1 ZINC000884143680 613877885 /nfs/dbraw/zinc/87/78/85/613877885.db2.gz NOBLQDRYEHYUPO-MNOVXSKESA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000884102390 613877993 /nfs/dbraw/zinc/87/79/93/613877993.db2.gz ALTUNGJUOYOGEQ-QWRGUYRKSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CCC1 ZINC000884143073 613878113 /nfs/dbraw/zinc/87/81/13/613878113.db2.gz VAJUUTQZQFUISX-NSHDSACASA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cccc(F)c1 ZINC000884060963 613878148 /nfs/dbraw/zinc/87/81/48/613878148.db2.gz RAHOPWXYOXCFEJ-ZDUSSCGKSA-N 1 2 294.326 0.931 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCCS1 ZINC000884162107 613878293 /nfs/dbraw/zinc/87/82/93/613878293.db2.gz WEOGOFPTJBPUFL-GWCFXTLKSA-N 1 2 286.397 0.835 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000884346820 613878537 /nfs/dbraw/zinc/87/85/37/613878537.db2.gz BXPWHTRSKPOZEX-WOPDTQHZSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000884173714 613878619 /nfs/dbraw/zinc/87/86/19/613878619.db2.gz CJORFZAFLUESFA-XQHKEYJVSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921870712 613881016 /nfs/dbraw/zinc/88/10/16/613881016.db2.gz URSWHSBTMURSNW-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000926127708 613885878 /nfs/dbraw/zinc/88/58/78/613885878.db2.gz ZHQKTBRJUBOEFB-VIFPVBQESA-N 1 2 274.342 0.935 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000850244495 613885908 /nfs/dbraw/zinc/88/59/08/613885908.db2.gz UQABZNJDERPGTR-UHFFFAOYSA-N 1 2 269.370 0.520 20 30 CCEDLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000829998197 613972617 /nfs/dbraw/zinc/97/26/17/613972617.db2.gz JIONYHFDPBKANY-CQSZACIVSA-N 1 2 281.356 0.956 20 30 CCEDLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000829998197 613972618 /nfs/dbraw/zinc/97/26/18/613972618.db2.gz JIONYHFDPBKANY-CQSZACIVSA-N 1 2 281.356 0.956 20 30 CCEDLO CC(C)C[C@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865112867 614210094 /nfs/dbraw/zinc/21/00/94/614210094.db2.gz DMCTYJBETMYXBV-ITDFMYJTSA-N 1 2 265.357 0.929 20 30 CCEDLO CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121396027 614212721 /nfs/dbraw/zinc/21/27/21/614212721.db2.gz KJCRXTKGGQXZTF-JTQLQIEISA-N 1 2 259.350 0.551 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531900 615021229 /nfs/dbraw/zinc/02/12/29/615021229.db2.gz YEBMFFZMIMSSBV-GXTWGEPZSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531900 615021231 /nfs/dbraw/zinc/02/12/31/615021231.db2.gz YEBMFFZMIMSSBV-GXTWGEPZSA-N 1 2 292.383 0.349 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456580 615365752 /nfs/dbraw/zinc/36/57/52/615365752.db2.gz MAIRNEJGAMAEPH-JQWIXIFHSA-N 1 2 261.329 0.443 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnn1C ZINC000895802090 615480308 /nfs/dbraw/zinc/48/03/08/615480308.db2.gz XHOSKLUHBROZOU-LBPRGKRZSA-N 1 2 263.345 0.814 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)CC#N ZINC000874710429 615568437 /nfs/dbraw/zinc/56/84/37/615568437.db2.gz PEVANZTVEFEIHU-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)CC#N ZINC000874710429 615568438 /nfs/dbraw/zinc/56/84/38/615568438.db2.gz PEVANZTVEFEIHU-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CCc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000121307706 615675785 /nfs/dbraw/zinc/67/57/85/615675785.db2.gz OJDOTNVVYRTXSP-UHFFFAOYSA-N 1 2 265.313 0.859 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)n1C ZINC000928646793 615718880 /nfs/dbraw/zinc/71/88/80/615718880.db2.gz MHSQIJACUWJNPQ-GFCCVEGCSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnn1C ZINC000895802089 615720682 /nfs/dbraw/zinc/72/06/82/615720682.db2.gz XHOSKLUHBROZOU-GFCCVEGCSA-N 1 2 263.345 0.814 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C1(C#N)CCCCC1 ZINC000879614420 615815498 /nfs/dbraw/zinc/81/54/98/615815498.db2.gz TUPXRIBGOZWCKJ-OLZOCXBDSA-N 1 2 295.383 0.099 20 30 CCEDLO CN(C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C1(C#N)CCCCC1 ZINC000879614420 615815499 /nfs/dbraw/zinc/81/54/99/615815499.db2.gz TUPXRIBGOZWCKJ-OLZOCXBDSA-N 1 2 295.383 0.099 20 30 CCEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCC(NCC#N)CC1 ZINC000964037813 615829271 /nfs/dbraw/zinc/82/92/71/615829271.db2.gz KUGGUUZAQUIIDZ-UHFFFAOYSA-N 1 2 275.356 0.835 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000876799673 616011994 /nfs/dbraw/zinc/01/19/94/616011994.db2.gz JCKQCPWVNPWLBV-AWEZNQCLSA-N 1 2 299.378 0.834 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000876799673 616011997 /nfs/dbraw/zinc/01/19/97/616011997.db2.gz JCKQCPWVNPWLBV-AWEZNQCLSA-N 1 2 299.378 0.834 20 30 CCEDLO Cn1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971513118 616084305 /nfs/dbraw/zinc/08/43/05/616084305.db2.gz KBCORKCPZJDRSK-OAHLLOKOSA-N 1 2 286.379 0.866 20 30 CCEDLO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971513118 616084306 /nfs/dbraw/zinc/08/43/06/616084306.db2.gz KBCORKCPZJDRSK-OAHLLOKOSA-N 1 2 286.379 0.866 20 30 CCEDLO CN1C(=O)CN(N=C2CCC[N@@H+]3CCSC[C@H]23)C1=O ZINC000872360939 616136326 /nfs/dbraw/zinc/13/63/26/616136326.db2.gz IVZIDHDVEYLGKQ-SNVBAGLBSA-N 1 2 282.369 0.448 20 30 CCEDLO CN1C(=O)CN(N=C2CCC[N@H+]3CCSC[C@H]23)C1=O ZINC000872360939 616136328 /nfs/dbraw/zinc/13/63/28/616136328.db2.gz IVZIDHDVEYLGKQ-SNVBAGLBSA-N 1 2 282.369 0.448 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2cccs2)C[C@H]1CO ZINC000913542282 616220342 /nfs/dbraw/zinc/22/03/42/616220342.db2.gz GRIYBCSTGXWHCO-NSHDSACASA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2cccs2)C[C@H]1CO ZINC000913542282 616220343 /nfs/dbraw/zinc/22/03/43/616220343.db2.gz GRIYBCSTGXWHCO-NSHDSACASA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C#N)C2)C1 ZINC000916882199 616254983 /nfs/dbraw/zinc/25/49/83/616254983.db2.gz FZKRYEXALBUMMV-NEPJUHHUSA-N 1 2 266.345 0.262 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C#N)C2)C1 ZINC000916882199 616254984 /nfs/dbraw/zinc/25/49/84/616254984.db2.gz FZKRYEXALBUMMV-NEPJUHHUSA-N 1 2 266.345 0.262 20 30 CCEDLO COC(=O)c1oc(C[NH2+][C@H]2CCCN(O)C2=O)cc1C ZINC000895157050 616280648 /nfs/dbraw/zinc/28/06/48/616280648.db2.gz LUUQFQXDDITCLB-JTQLQIEISA-N 1 2 282.296 0.844 20 30 CCEDLO COC(=O)/C=C(\C)C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000930640851 616311196 /nfs/dbraw/zinc/31/11/96/616311196.db2.gz XQFIRDPZYXLPCX-DHZHZOJOSA-N 1 2 280.324 0.884 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921413482 617153026 /nfs/dbraw/zinc/15/30/26/617153026.db2.gz MWBNPYFTELBEFV-NSHDSACASA-N 1 2 295.364 0.549 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921413482 617153027 /nfs/dbraw/zinc/15/30/27/617153027.db2.gz MWBNPYFTELBEFV-NSHDSACASA-N 1 2 295.364 0.549 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524516 617171056 /nfs/dbraw/zinc/17/10/56/617171056.db2.gz NNEMLDGQGUOHLN-NWDGAFQWSA-N 1 2 251.330 0.817 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524516 617171057 /nfs/dbraw/zinc/17/10/57/617171057.db2.gz NNEMLDGQGUOHLN-NWDGAFQWSA-N 1 2 251.330 0.817 20 30 CCEDLO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001024716327 623420980 /nfs/dbraw/zinc/42/09/80/623420980.db2.gz RVSCDVNXTCUKMC-NSHDSACASA-N 1 2 263.345 0.965 20 30 CCEDLO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001024716327 623420985 /nfs/dbraw/zinc/42/09/85/623420985.db2.gz RVSCDVNXTCUKMC-NSHDSACASA-N 1 2 263.345 0.965 20 30 CCEDLO Cc1nc(N2CC[NH+](CC[S@@](C)=O)CC2)ccc1C#N ZINC000813595906 624724669 /nfs/dbraw/zinc/72/46/69/624724669.db2.gz LJXZGBOVLOFOLM-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001021437691 624732767 /nfs/dbraw/zinc/73/27/67/624732767.db2.gz JBBXFTUNMXAKSU-YHWZYXNKSA-N 1 2 287.367 0.598 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677123 624807887 /nfs/dbraw/zinc/80/78/87/624807887.db2.gz GIXIWGMKIZUBDO-TZMCWYRMSA-N 1 2 287.367 0.789 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000971212482 624828476 /nfs/dbraw/zinc/82/84/76/624828476.db2.gz ZMIHGRFFKPIUQF-PWSUYJOCSA-N 1 2 262.313 0.867 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000971212482 624828477 /nfs/dbraw/zinc/82/84/77/624828477.db2.gz ZMIHGRFFKPIUQF-PWSUYJOCSA-N 1 2 262.313 0.867 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1CO ZINC000934032078 625007226 /nfs/dbraw/zinc/00/72/26/625007226.db2.gz UCNBSZRWJPKOGW-NWDGAFQWSA-N 1 2 265.357 0.784 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1CO ZINC000934032078 625007228 /nfs/dbraw/zinc/00/72/28/625007228.db2.gz UCNBSZRWJPKOGW-NWDGAFQWSA-N 1 2 265.357 0.784 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387777 625864015 /nfs/dbraw/zinc/86/40/15/625864015.db2.gz DITXOCBTFMBUIQ-GFCCVEGCSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027632678 630817945 /nfs/dbraw/zinc/81/79/45/630817945.db2.gz OLTGGRRJBQJRCK-NSHDSACASA-N 1 2 261.329 0.399 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027798717 630929787 /nfs/dbraw/zinc/92/97/87/630929787.db2.gz OFJRZAQURQBERM-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027798717 630929794 /nfs/dbraw/zinc/92/97/94/630929794.db2.gz OFJRZAQURQBERM-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981484123 631283741 /nfs/dbraw/zinc/28/37/41/631283741.db2.gz OBJOWLJLQJVLDU-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010359469 631331370 /nfs/dbraw/zinc/33/13/70/631331370.db2.gz YDJPSLZNSUVDIX-JTQLQIEISA-N 1 2 268.748 0.977 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010359469 631331375 /nfs/dbraw/zinc/33/13/75/631331375.db2.gz YDJPSLZNSUVDIX-JTQLQIEISA-N 1 2 268.748 0.977 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000048376216 631708072 /nfs/dbraw/zinc/70/80/72/631708072.db2.gz VILNYTMDLFYQHW-UHFFFAOYSA-N 1 2 253.277 0.989 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000894913844 631881032 /nfs/dbraw/zinc/88/10/32/631881032.db2.gz BQAUEKZXLBXFOH-LBPRGKRZSA-N 1 2 263.301 0.244 20 30 CCEDLO C#CCOCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179031884 632018107 /nfs/dbraw/zinc/01/81/07/632018107.db2.gz RCRGEMOKMXBWJE-UHFFFAOYSA-N 1 2 257.293 0.990 20 30 CCEDLO COc1nccc(C[NH2+][C@@H]2CCCN(O)C2=O)c1F ZINC000895192641 632019082 /nfs/dbraw/zinc/01/90/82/632019082.db2.gz JTDDQXWXEFMVIV-SECBINFHSA-N 1 2 269.276 0.699 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540499 632274555 /nfs/dbraw/zinc/27/45/55/632274555.db2.gz XFOGOQZKUIIRPT-SMDDNHRTSA-N 1 2 289.383 0.559 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896540499 632274559 /nfs/dbraw/zinc/27/45/59/632274559.db2.gz XFOGOQZKUIIRPT-SMDDNHRTSA-N 1 2 289.383 0.559 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007454699 650078497 /nfs/dbraw/zinc/07/84/97/650078497.db2.gz YSNRXZCEPFFOKK-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001007454699 650078499 /nfs/dbraw/zinc/07/84/99/650078499.db2.gz YSNRXZCEPFFOKK-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001008483884 650115789 /nfs/dbraw/zinc/11/57/89/650115789.db2.gz CIGRDZFZQPNCSJ-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001008483884 650115791 /nfs/dbraw/zinc/11/57/91/650115791.db2.gz CIGRDZFZQPNCSJ-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842576 650129123 /nfs/dbraw/zinc/12/91/23/650129123.db2.gz YCCWSCYIMYCUPR-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001008842576 650129126 /nfs/dbraw/zinc/12/91/26/650129126.db2.gz YCCWSCYIMYCUPR-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001009129990 650138093 /nfs/dbraw/zinc/13/80/93/650138093.db2.gz HWWWBYAZHOXOFP-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001009129990 650138094 /nfs/dbraw/zinc/13/80/94/650138094.db2.gz HWWWBYAZHOXOFP-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1CC#N ZINC000947847744 634206156 /nfs/dbraw/zinc/20/61/56/634206156.db2.gz AILWZAJHRJSNBR-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@H](C#N)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906638088 635015087 /nfs/dbraw/zinc/01/50/87/635015087.db2.gz YEAPYLRVIBAUSW-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)nc1 ZINC000907166627 635081192 /nfs/dbraw/zinc/08/11/92/635081192.db2.gz WZNOCGLHSJDCLI-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)nc1 ZINC000907166627 635081195 /nfs/dbraw/zinc/08/11/95/635081195.db2.gz WZNOCGLHSJDCLI-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001010479317 650232348 /nfs/dbraw/zinc/23/23/48/650232348.db2.gz PBGKSUXLOVKRSK-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCF)C2)c1 ZINC001010479317 650232349 /nfs/dbraw/zinc/23/23/49/650232349.db2.gz PBGKSUXLOVKRSK-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO N#CC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCC1 ZINC000912897669 636694627 /nfs/dbraw/zinc/69/46/27/636694627.db2.gz BQLGTDAGGPTUSJ-UHFFFAOYSA-N 1 2 293.367 0.635 20 30 CCEDLO N#CC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCC1 ZINC000912897669 636694640 /nfs/dbraw/zinc/69/46/40/636694640.db2.gz BQLGTDAGGPTUSJ-UHFFFAOYSA-N 1 2 293.367 0.635 20 30 CCEDLO N#CC1(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC000913453011 636809734 /nfs/dbraw/zinc/80/97/34/636809734.db2.gz ICLDALYKECXPDA-NSHDSACASA-N 1 2 259.313 0.576 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3ccc(C#N)n3C)CC[NH2+]2)cn1 ZINC000913460548 636813589 /nfs/dbraw/zinc/81/35/89/636813589.db2.gz PAEZABQMDBGNIE-CYBMUJFWSA-N 1 2 298.350 0.417 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913544093 636842910 /nfs/dbraw/zinc/84/29/10/636842910.db2.gz WRADEPWSROWCAK-SNVBAGLBSA-N 1 2 263.297 0.208 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913544093 636842914 /nfs/dbraw/zinc/84/29/14/636842914.db2.gz WRADEPWSROWCAK-SNVBAGLBSA-N 1 2 263.297 0.208 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000913550071 636843684 /nfs/dbraw/zinc/84/36/84/636843684.db2.gz MDDXPXHHTPREQD-CQSZACIVSA-N 1 2 288.347 0.447 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000913550071 636843687 /nfs/dbraw/zinc/84/36/87/636843687.db2.gz MDDXPXHHTPREQD-CQSZACIVSA-N 1 2 288.347 0.447 20 30 CCEDLO C=CCCOCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800150793 637824114 /nfs/dbraw/zinc/82/41/14/637824114.db2.gz AETPYBYWOORFBR-GFCCVEGCSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCCOCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800150793 637824116 /nfs/dbraw/zinc/82/41/16/637824116.db2.gz AETPYBYWOORFBR-GFCCVEGCSA-N 1 2 257.330 0.843 20 30 CCEDLO N#C[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000921358530 638171572 /nfs/dbraw/zinc/17/15/72/638171572.db2.gz LSKNWOXWLUJQIN-NSHDSACASA-N 1 2 268.342 0.448 20 30 CCEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000179921599 638246598 /nfs/dbraw/zinc/24/65/98/638246598.db2.gz MOOLUXMKGJFTID-SNVBAGLBSA-N 1 2 264.329 0.828 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994921817 638334554 /nfs/dbraw/zinc/33/45/54/638334554.db2.gz YKOOYZMEFSQTSW-OAHLLOKOSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939395624 638358483 /nfs/dbraw/zinc/35/84/83/638358483.db2.gz FGSCAJATDNNKNC-GHMZBOCLSA-N 1 2 289.339 0.171 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC(NCC#N)CC1 ZINC000997180749 638858323 /nfs/dbraw/zinc/85/83/23/638858323.db2.gz VPFYSVLUOFEACC-UHFFFAOYSA-N 1 2 261.329 0.067 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC(NCC#N)C1 ZINC000999007175 638953874 /nfs/dbraw/zinc/95/38/74/638953874.db2.gz KTLVDQLYGUFTQG-PNESKVBLSA-N 1 2 287.367 0.548 20 30 CCEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000999276988 638971671 /nfs/dbraw/zinc/97/16/71/638971671.db2.gz BHFFKZKWRIOKDD-UHFFFAOYSA-N 1 2 288.351 0.636 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000431550 639085717 /nfs/dbraw/zinc/08/57/17/639085717.db2.gz ZPFFINKGRKQTRB-NWDGAFQWSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000431550 639085722 /nfs/dbraw/zinc/08/57/22/639085722.db2.gz ZPFFINKGRKQTRB-NWDGAFQWSA-N 1 2 275.356 0.692 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014708285 650481152 /nfs/dbraw/zinc/48/11/52/650481152.db2.gz VQSVSPABFWSTCS-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001014708285 650481153 /nfs/dbraw/zinc/48/11/53/650481153.db2.gz VQSVSPABFWSTCS-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014953738 650507623 /nfs/dbraw/zinc/50/76/23/650507623.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 1 2 251.374 0.847 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014953738 650507626 /nfs/dbraw/zinc/50/76/26/650507626.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 1 2 251.374 0.847 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968430 650508908 /nfs/dbraw/zinc/50/89/08/650508908.db2.gz OCFGPSUPKSVEIS-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968430 650508911 /nfs/dbraw/zinc/50/89/11/650508911.db2.gz OCFGPSUPKSVEIS-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001015076634 650526629 /nfs/dbraw/zinc/52/66/29/650526629.db2.gz HQBKZWGMDOPOGA-GFCCVEGCSA-N 1 2 295.342 0.965 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001015076634 650526631 /nfs/dbraw/zinc/52/66/31/650526631.db2.gz HQBKZWGMDOPOGA-GFCCVEGCSA-N 1 2 295.342 0.965 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2CC)C1 ZINC001015156979 650532536 /nfs/dbraw/zinc/53/25/36/650532536.db2.gz VRAQUFRNQXKAIQ-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2CC)C1 ZINC001015156979 650532537 /nfs/dbraw/zinc/53/25/37/650532537.db2.gz VRAQUFRNQXKAIQ-JTQLQIEISA-N 1 2 278.381 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015377664 650560178 /nfs/dbraw/zinc/56/01/78/650560178.db2.gz SPUZKWDJXVHKQQ-GXFFZTMASA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015377664 650560181 /nfs/dbraw/zinc/56/01/81/650560181.db2.gz SPUZKWDJXVHKQQ-GXFFZTMASA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@@H](C(=O)OCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000798745715 640522094 /nfs/dbraw/zinc/52/20/94/640522094.db2.gz LDYXAHQARPABGH-VIFPVBQESA-N 1 2 260.257 0.151 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000801910958 640673626 /nfs/dbraw/zinc/67/36/26/640673626.db2.gz QUCHUAUBORWRBM-CYBMUJFWSA-N 1 2 280.372 0.748 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015652491 650601223 /nfs/dbraw/zinc/60/12/23/650601223.db2.gz GPECQFDFDUBOMI-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015652491 650601224 /nfs/dbraw/zinc/60/12/24/650601224.db2.gz GPECQFDFDUBOMI-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO N#CC[C@@H](O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000809575378 640899484 /nfs/dbraw/zinc/89/94/84/640899484.db2.gz AJJBEGUVSKBKPE-OAHLLOKOSA-N 1 2 275.352 0.784 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000809575378 640899487 /nfs/dbraw/zinc/89/94/87/640899487.db2.gz AJJBEGUVSKBKPE-OAHLLOKOSA-N 1 2 275.352 0.784 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000809571041 640900114 /nfs/dbraw/zinc/90/01/14/640900114.db2.gz GSGDJNKJIKOJEL-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO N#CC[C@@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000809571041 640900119 /nfs/dbraw/zinc/90/01/19/640900119.db2.gz GSGDJNKJIKOJEL-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000809570813 640900209 /nfs/dbraw/zinc/90/02/09/640900209.db2.gz APQJIDPTCVTNAR-CYBMUJFWSA-N 1 2 271.324 0.350 20 30 CCEDLO Cc1cc(CN2CC[NH+](C[C@H](O)CC#N)CC2)no1 ZINC000809570781 640900547 /nfs/dbraw/zinc/90/05/47/640900547.db2.gz UGVMDSQKADYPAS-CYBMUJFWSA-N 1 2 264.329 0.375 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000818957743 641368527 /nfs/dbraw/zinc/36/85/27/641368527.db2.gz DOFWFCYOAYOGDF-UHFFFAOYSA-N 1 2 267.354 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902715 650653577 /nfs/dbraw/zinc/65/35/77/650653577.db2.gz NYMLGPNUPKBDDD-SNVBAGLBSA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902715 650653578 /nfs/dbraw/zinc/65/35/78/650653578.db2.gz NYMLGPNUPKBDDD-SNVBAGLBSA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016048519 650677425 /nfs/dbraw/zinc/67/74/25/650677425.db2.gz YKHZTURBJAXMDZ-OLZOCXBDSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016048519 650677428 /nfs/dbraw/zinc/67/74/28/650677428.db2.gz YKHZTURBJAXMDZ-OLZOCXBDSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119218 650683440 /nfs/dbraw/zinc/68/34/40/650683440.db2.gz HTNLZCVJYSXZBO-QWHCGFSZSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001016119218 650683443 /nfs/dbraw/zinc/68/34/43/650683443.db2.gz HTNLZCVJYSXZBO-QWHCGFSZSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016222899 650699503 /nfs/dbraw/zinc/69/95/03/650699503.db2.gz SATYSGZQYYUQRA-GFCCVEGCSA-N 1 2 295.770 0.791 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001016222899 650699506 /nfs/dbraw/zinc/69/95/06/650699506.db2.gz SATYSGZQYYUQRA-GFCCVEGCSA-N 1 2 295.770 0.791 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)CC[N@@H+]1CCO ZINC000832547986 642496569 /nfs/dbraw/zinc/49/65/69/642496569.db2.gz NXLKNULRHJYFKJ-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)CC[N@H+]1CCO ZINC000832547986 642496580 /nfs/dbraw/zinc/49/65/80/642496580.db2.gz NXLKNULRHJYFKJ-LLVKDONJSA-N 1 2 291.326 0.836 20 30 CCEDLO N#CCN1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016852928 650766195 /nfs/dbraw/zinc/76/61/95/650766195.db2.gz CUHCAAICLCYVID-GFCCVEGCSA-N 1 2 273.340 0.446 20 30 CCEDLO NS(=O)(=O)c1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834938548 642642558 /nfs/dbraw/zinc/64/25/58/642642558.db2.gz KYNWGXBXOUMFAX-ZCFIWIBFSA-N 1 2 276.268 0.782 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000837359482 642740194 /nfs/dbraw/zinc/74/01/94/642740194.db2.gz DLEWBKDQMWGTGI-HNNXBMFYSA-N 1 2 294.420 0.724 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocn1 ZINC001017412422 650799489 /nfs/dbraw/zinc/79/94/89/650799489.db2.gz YPOPXUYAAJGRPD-TXEJJXNPSA-N 1 2 259.309 0.987 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocn1 ZINC001017412422 650799491 /nfs/dbraw/zinc/79/94/91/650799491.db2.gz YPOPXUYAAJGRPD-TXEJJXNPSA-N 1 2 259.309 0.987 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cncn1 ZINC001017490854 650805502 /nfs/dbraw/zinc/80/55/02/650805502.db2.gz LJTKPOIHIWTCPK-RWMBFGLXSA-N 1 2 273.340 0.148 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cncn1 ZINC001017490854 650805506 /nfs/dbraw/zinc/80/55/06/650805506.db2.gz LJTKPOIHIWTCPK-RWMBFGLXSA-N 1 2 273.340 0.148 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]nc2c1 ZINC001017621659 650814025 /nfs/dbraw/zinc/81/40/25/650814025.db2.gz VBZNCMAMTZBSAC-TXEJJXNPSA-N 1 2 298.350 0.828 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]nc2c1 ZINC001017621659 650814028 /nfs/dbraw/zinc/81/40/28/650814028.db2.gz VBZNCMAMTZBSAC-TXEJJXNPSA-N 1 2 298.350 0.828 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001017637665 650814706 /nfs/dbraw/zinc/81/47/06/650814706.db2.gz HYVMVYYFOCVXPS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001017637665 650814708 /nfs/dbraw/zinc/81/47/08/650814708.db2.gz HYVMVYYFOCVXPS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 ZINC001017697215 650818108 /nfs/dbraw/zinc/81/81/08/650818108.db2.gz AJAMQLYNFOKGIJ-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 ZINC001017697215 650818110 /nfs/dbraw/zinc/81/81/10/650818110.db2.gz AJAMQLYNFOKGIJ-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001017746583 650819913 /nfs/dbraw/zinc/81/99/13/650819913.db2.gz FTICHVBBTHSYRH-RARVGVHXSA-N 1 2 286.375 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001017746583 650819914 /nfs/dbraw/zinc/81/99/14/650819914.db2.gz FTICHVBBTHSYRH-RARVGVHXSA-N 1 2 286.375 0.718 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001017792249 650822938 /nfs/dbraw/zinc/82/29/38/650822938.db2.gz LNTCJOUWCQNLLO-RFQIPJPRSA-N 1 2 289.379 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001017792249 650822939 /nfs/dbraw/zinc/82/29/39/650822939.db2.gz LNTCJOUWCQNLLO-RFQIPJPRSA-N 1 2 289.379 0.196 20 30 CCEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)n1cc[nH+]c1 ZINC000845443682 643316085 /nfs/dbraw/zinc/31/60/85/643316085.db2.gz ZQWZEJOBCFZNRY-GXSJLCMTSA-N 1 2 260.297 0.822 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000846958364 643474434 /nfs/dbraw/zinc/47/44/34/643474434.db2.gz ZUFPOOOJJNDXGM-CQSZACIVSA-N 1 2 291.326 0.917 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000846955563 643474721 /nfs/dbraw/zinc/47/47/21/643474721.db2.gz LPKDGFPTRGHOEP-NSHDSACASA-N 1 2 277.324 0.140 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000847483936 643523819 /nfs/dbraw/zinc/52/38/19/643523819.db2.gz JCHPISYIMVEFTR-SMDDNHRTSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000847483936 643523824 /nfs/dbraw/zinc/52/38/24/643523824.db2.gz JCHPISYIMVEFTR-SMDDNHRTSA-N 1 2 287.367 0.787 20 30 CCEDLO COc1nccnc1C=NNCCCn1cc[nH+]c1 ZINC000848416884 643634812 /nfs/dbraw/zinc/63/48/12/643634812.db2.gz BTHCOEFDPRBCMS-UHFFFAOYSA-N 1 2 260.301 0.696 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000854424064 644202501 /nfs/dbraw/zinc/20/25/01/644202501.db2.gz NQRZJJXSIOFULZ-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC000858035763 644592873 /nfs/dbraw/zinc/59/28/73/644592873.db2.gz BWKXLPSFQXVJAA-GFCCVEGCSA-N 1 2 274.324 0.483 20 30 CCEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)nc1 ZINC000858035763 644592875 /nfs/dbraw/zinc/59/28/75/644592875.db2.gz BWKXLPSFQXVJAA-GFCCVEGCSA-N 1 2 274.324 0.483 20 30 CCEDLO N#CCn1cc(NC(=O)/C=C\C[NH+]2CCOCC2)cn1 ZINC000865059509 645317417 /nfs/dbraw/zinc/31/74/17/645317417.db2.gz UPJPGWYBGCAYIW-UPHRSURJSA-N 1 2 275.312 0.234 20 30 CCEDLO C=CC1CC[NH+](Cc2nnc3c(=O)n(C)ccn23)CC1 ZINC000878094137 646868643 /nfs/dbraw/zinc/86/86/43/646868643.db2.gz RNQWTEFFDCSLKB-UHFFFAOYSA-N 1 2 273.340 0.826 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2cncc(C#N)c2)CC1 ZINC000929993625 648809859 /nfs/dbraw/zinc/80/98/59/648809859.db2.gz MVMDCFHXYYCKAD-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC[S@@](=O)C(F)(F)F)C1 ZINC000930818397 648910011 /nfs/dbraw/zinc/91/00/11/648910011.db2.gz HFABBRZJWNSWMF-CQLKUDPESA-N 1 2 270.276 0.605 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC[S@@](=O)C(F)(F)F)C1 ZINC000930818397 648910009 /nfs/dbraw/zinc/91/00/09/648910009.db2.gz HFABBRZJWNSWMF-CQLKUDPESA-N 1 2 270.276 0.605 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2COCC3)C[C@H](C)N1CC#N ZINC000930829307 648911386 /nfs/dbraw/zinc/91/13/86/648911386.db2.gz RZGMUINNEWOROZ-TXEJJXNPSA-N 1 2 289.383 0.901 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2COCC3)C[C@H](C)N1CC#N ZINC000930829307 648911398 /nfs/dbraw/zinc/91/13/98/648911398.db2.gz RZGMUINNEWOROZ-TXEJJXNPSA-N 1 2 289.383 0.901 20 30 CCEDLO N#CCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931971316 649038805 /nfs/dbraw/zinc/03/88/05/649038805.db2.gz UEANRRYHSHFQJR-KGLIPLIRSA-N 1 2 295.383 0.676 20 30 CCEDLO C[C@H](C[NH+]1CCC2(CC1)CC(=O)C=CO2)S(C)(=O)=O ZINC000933648370 649132612 /nfs/dbraw/zinc/13/26/12/649132612.db2.gz YKVJPJQHXHXCKO-LLVKDONJSA-N 1 2 287.381 0.757 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1)C1CC1 ZINC000933905031 649147636 /nfs/dbraw/zinc/14/76/36/649147636.db2.gz AUIOQGNRWKSNEI-SWLSCSKDSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1)C1CC1 ZINC000933905031 649147638 /nfs/dbraw/zinc/14/76/38/649147638.db2.gz AUIOQGNRWKSNEI-SWLSCSKDSA-N 1 2 293.367 0.632 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935014853 649205108 /nfs/dbraw/zinc/20/51/08/649205108.db2.gz FUJOOPLQKXETHY-CQSZACIVSA-N 1 2 284.363 0.596 20 30 CCEDLO N#CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCSCC1 ZINC000935015477 649205236 /nfs/dbraw/zinc/20/52/36/649205236.db2.gz KSLZZNZBEXTIDC-GFCCVEGCSA-N 1 2 294.424 0.139 20 30 CCEDLO N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179533 649790287 /nfs/dbraw/zinc/79/02/87/649790287.db2.gz OHLMNGZHPJBOJK-SMDDNHRTSA-N 1 2 299.334 0.109 20 30 CCEDLO C=CC[NH+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165033684 721863421 /nfs/dbraw/zinc/86/34/21/721863421.db2.gz VJUXGYQGLXKZPH-UHFFFAOYSA-N 1 2 264.285 0.536 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(Cl)cc(C(=O)NC)n2)CC1 ZINC001165035303 721873523 /nfs/dbraw/zinc/87/35/23/721873523.db2.gz UJBHTPHNUAFQIA-UHFFFAOYSA-N 1 2 295.774 0.798 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001266253323 790334248 /nfs/dbraw/zinc/33/42/48/790334248.db2.gz VBIWDRNOHWHEJA-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001266253323 790334258 /nfs/dbraw/zinc/33/42/58/790334258.db2.gz VBIWDRNOHWHEJA-UHFFFAOYSA-N 1 2 287.363 0.406 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)N(C)CC ZINC001266278818 790385785 /nfs/dbraw/zinc/38/57/85/790385785.db2.gz SQPNREZFSGYXLC-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)N(C)CC ZINC001266278818 790385798 /nfs/dbraw/zinc/38/57/98/790385798.db2.gz SQPNREZFSGYXLC-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001266304604 790473675 /nfs/dbraw/zinc/47/36/75/790473675.db2.gz BWYJEVQSESCPMR-QWRGUYRKSA-N 1 2 285.413 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001266304604 790473681 /nfs/dbraw/zinc/47/36/81/790473681.db2.gz BWYJEVQSESCPMR-QWRGUYRKSA-N 1 2 285.413 0.231 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001266325171 790509876 /nfs/dbraw/zinc/50/98/76/790509876.db2.gz KWKURXDVRXFALA-OAHLLOKOSA-N 1 2 299.374 0.169 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001266325171 790509881 /nfs/dbraw/zinc/50/98/81/790509881.db2.gz KWKURXDVRXFALA-OAHLLOKOSA-N 1 2 299.374 0.169 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001039055013 790510077 /nfs/dbraw/zinc/51/00/77/790510077.db2.gz QMNMKJYXAPJICS-GFCCVEGCSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001039055013 790510090 /nfs/dbraw/zinc/51/00/90/790510090.db2.gz QMNMKJYXAPJICS-GFCCVEGCSA-N 1 2 298.346 0.716 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC)C2)cc1 ZINC001266332960 790527917 /nfs/dbraw/zinc/52/79/17/790527917.db2.gz DPAKUWGJUKLKPH-HNNXBMFYSA-N 1 2 299.374 0.608 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC)C2)cc1 ZINC001266332960 790527927 /nfs/dbraw/zinc/52/79/27/790527927.db2.gz DPAKUWGJUKLKPH-HNNXBMFYSA-N 1 2 299.374 0.608 20 30 CCEDLO C#CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209266365 790591954 /nfs/dbraw/zinc/59/19/54/790591954.db2.gz VGVZSOXFWUYOTA-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209266365 790591963 /nfs/dbraw/zinc/59/19/63/790591963.db2.gz VGVZSOXFWUYOTA-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266454512 790746116 /nfs/dbraw/zinc/74/61/16/790746116.db2.gz XQMNBFPEHOHERJ-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266454512 790746126 /nfs/dbraw/zinc/74/61/26/790746126.db2.gz XQMNBFPEHOHERJ-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 ZINC001083200339 790792611 /nfs/dbraw/zinc/79/26/11/790792611.db2.gz AWJGLNKJNOZSHI-LXTVHRRPSA-N 1 2 292.379 0.489 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 ZINC001083200339 790792623 /nfs/dbraw/zinc/79/26/23/790792623.db2.gz AWJGLNKJNOZSHI-LXTVHRRPSA-N 1 2 292.379 0.489 20 30 CCEDLO CC#CC[N@H+](CCC)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001266565363 790937163 /nfs/dbraw/zinc/93/71/63/790937163.db2.gz VJWJPNMWPQYIOR-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO CC#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001266565363 790937167 /nfs/dbraw/zinc/93/71/67/790937167.db2.gz VJWJPNMWPQYIOR-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001266583466 790981984 /nfs/dbraw/zinc/98/19/84/790981984.db2.gz YLUNVGLEJJVFMI-YUSALJHKSA-N 1 2 294.355 0.878 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001230676442 805645700 /nfs/dbraw/zinc/64/57/00/805645700.db2.gz PYBKJNRQLQPARI-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001230676442 805645703 /nfs/dbraw/zinc/64/57/03/805645703.db2.gz PYBKJNRQLQPARI-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230682957 805646951 /nfs/dbraw/zinc/64/69/51/805646951.db2.gz YOQTXJPXKLUSBU-ZIAGYGMSSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230682957 805646954 /nfs/dbraw/zinc/64/69/54/805646954.db2.gz YOQTXJPXKLUSBU-ZIAGYGMSSA-N 1 2 291.395 0.623 20 30 CCEDLO CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230855018 805678115 /nfs/dbraw/zinc/67/81/15/805678115.db2.gz GHWRHEUZCXCNMT-ZIAGYGMSSA-N 1 2 282.384 0.594 20 30 CCEDLO CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230855018 805678123 /nfs/dbraw/zinc/67/81/23/805678123.db2.gz GHWRHEUZCXCNMT-ZIAGYGMSSA-N 1 2 282.384 0.594 20 30 CCEDLO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024669 805711334 /nfs/dbraw/zinc/71/13/34/805711334.db2.gz GGSDSKJEPVIAMU-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024669 805711337 /nfs/dbraw/zinc/71/13/37/805711337.db2.gz GGSDSKJEPVIAMU-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCOC1 ZINC001231103244 805729647 /nfs/dbraw/zinc/72/96/47/805729647.db2.gz OGUSWUJZJZAVMK-CABCVRRESA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCOC1 ZINC001231103244 805729650 /nfs/dbraw/zinc/72/96/50/805729650.db2.gz OGUSWUJZJZAVMK-CABCVRRESA-N 1 2 294.395 0.596 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001231112532 805731198 /nfs/dbraw/zinc/73/11/98/805731198.db2.gz CMGJOTICYUZERN-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001231112532 805731202 /nfs/dbraw/zinc/73/12/02/805731202.db2.gz CMGJOTICYUZERN-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247594 805760066 /nfs/dbraw/zinc/76/00/66/805760066.db2.gz PIBGDLAHAFYOJM-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247594 805760069 /nfs/dbraw/zinc/76/00/69/805760069.db2.gz PIBGDLAHAFYOJM-SMDDNHRTSA-N 1 2 289.383 0.921 20 30 CCEDLO N#CCCN1CC[NH+](Cc2[nH]nc3c2CCC3)CC1 ZINC001232427280 805935356 /nfs/dbraw/zinc/93/53/56/805935356.db2.gz RADLBWOHOSXPRJ-UHFFFAOYSA-N 1 2 259.357 0.930 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678295 805970037 /nfs/dbraw/zinc/97/00/37/805970037.db2.gz TYQIUAVPRFMHRB-UHFFFAOYSA-N 1 2 290.319 0.764 20 30 CCEDLO CN1CCC[N@H+](Cc2cc(C#N)ccc2O)CC1=O ZINC001232679735 805970129 /nfs/dbraw/zinc/97/01/29/805970129.db2.gz RFWLBRIOSZBAGX-UHFFFAOYSA-N 1 2 259.309 0.928 20 30 CCEDLO CN1CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1=O ZINC001232679735 805970131 /nfs/dbraw/zinc/97/01/31/805970131.db2.gz RFWLBRIOSZBAGX-UHFFFAOYSA-N 1 2 259.309 0.928 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232926814 805998968 /nfs/dbraw/zinc/99/89/68/805998968.db2.gz DLFSWRJDJOGDMI-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001232926814 805998980 /nfs/dbraw/zinc/99/89/80/805998980.db2.gz DLFSWRJDJOGDMI-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001233048270 806013103 /nfs/dbraw/zinc/01/31/03/806013103.db2.gz ZOSCAJPPAUVAPR-UHFFFAOYSA-N 1 2 273.296 0.060 20 30 CCEDLO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001266836956 791279039 /nfs/dbraw/zinc/27/90/39/791279039.db2.gz GGIXCAWEYWJJFW-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CS(C)(=O)=O ZINC001266836956 791279044 /nfs/dbraw/zinc/27/90/44/791279044.db2.gz GGIXCAWEYWJJFW-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266853903 791291189 /nfs/dbraw/zinc/29/11/89/791291189.db2.gz WBFAINFZWFCFFI-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266853903 791291197 /nfs/dbraw/zinc/29/11/97/791291197.db2.gz WBFAINFZWFCFFI-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233386120 806052129 /nfs/dbraw/zinc/05/21/29/806052129.db2.gz GZLIJAKFKWBWQO-GFCCVEGCSA-N 1 2 280.349 0.883 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncccn3)[C@H]2C1 ZINC001083230296 791396786 /nfs/dbraw/zinc/39/67/86/791396786.db2.gz QXCHFDWVIIZTRH-NWDGAFQWSA-N 1 2 274.324 0.188 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncccn3)[C@H]2C1 ZINC001083230296 791396793 /nfs/dbraw/zinc/39/67/93/791396793.db2.gz QXCHFDWVIIZTRH-NWDGAFQWSA-N 1 2 274.324 0.188 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498632 806068466 /nfs/dbraw/zinc/06/84/66/806068466.db2.gz CHNBRWWPTVCDOE-AFNCTOJWSA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498632 806068477 /nfs/dbraw/zinc/06/84/77/806068477.db2.gz CHNBRWWPTVCDOE-AFNCTOJWSA-N 1 2 289.379 0.235 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC#N ZINC000434421761 791491997 /nfs/dbraw/zinc/49/19/97/791491997.db2.gz XYHUUSIAQVADQQ-LLVKDONJSA-N 1 2 254.334 0.262 20 30 CCEDLO C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001267138107 791583210 /nfs/dbraw/zinc/58/32/10/791583210.db2.gz MIKROIUZRKTAIB-NSHDSACASA-N 1 2 271.324 0.956 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC)cn3)[C@H]2C1 ZINC001083249017 791619081 /nfs/dbraw/zinc/61/90/81/791619081.db2.gz ITUVBFDSCDFZOZ-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CC)cn3)[C@H]2C1 ZINC001083249017 791619082 /nfs/dbraw/zinc/61/90/82/791619082.db2.gz ITUVBFDSCDFZOZ-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001233965804 806159365 /nfs/dbraw/zinc/15/93/65/806159365.db2.gz FNUIMDBCLMBEMZ-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001233965804 806159371 /nfs/dbraw/zinc/15/93/71/806159371.db2.gz FNUIMDBCLMBEMZ-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)C#CC1CC1 ZINC001234179728 806197595 /nfs/dbraw/zinc/19/75/95/806197595.db2.gz YEZDBSLSDRADIY-AWEZNQCLSA-N 1 2 289.379 0.165 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)C#CC1CC1 ZINC001234179728 806197597 /nfs/dbraw/zinc/19/75/97/806197597.db2.gz YEZDBSLSDRADIY-AWEZNQCLSA-N 1 2 289.379 0.165 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187047 806199586 /nfs/dbraw/zinc/19/95/86/806199586.db2.gz SLIMJCGPVOJNFK-GXTWGEPZSA-N 1 2 291.395 0.409 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187047 806199592 /nfs/dbraw/zinc/19/95/92/806199592.db2.gz SLIMJCGPVOJNFK-GXTWGEPZSA-N 1 2 291.395 0.409 20 30 CCEDLO O=C(C#CC1CC1)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001278076930 806652642 /nfs/dbraw/zinc/65/26/42/806652642.db2.gz CNIBZLXQKBBARS-LLVKDONJSA-N 1 2 279.365 0.123 20 30 CCEDLO C[N@@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278096506 806661131 /nfs/dbraw/zinc/66/11/31/806661131.db2.gz LAPKKTYAJMMIMU-UHFFFAOYSA-N 1 2 260.297 0.648 20 30 CCEDLO C[N@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278096506 806661134 /nfs/dbraw/zinc/66/11/34/806661134.db2.gz LAPKKTYAJMMIMU-UHFFFAOYSA-N 1 2 260.297 0.648 20 30 CCEDLO C#CCN(CC#C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001121770763 799069080 /nfs/dbraw/zinc/06/90/80/799069080.db2.gz SHYXMQHGUVABBX-UHFFFAOYSA-N 1 2 282.351 0.695 20 30 CCEDLO CC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1(C#N)CCC1)O2 ZINC001278160976 806734177 /nfs/dbraw/zinc/73/41/77/806734177.db2.gz RTSBYHXXEZVFSV-NSHDSACASA-N 1 2 263.341 0.802 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123795996 799476109 /nfs/dbraw/zinc/47/61/09/799476109.db2.gz UNPKRYKZYUXNIN-DZGCQCFKSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123795996 799476113 /nfs/dbraw/zinc/47/61/13/799476113.db2.gz UNPKRYKZYUXNIN-DZGCQCFKSA-N 1 2 292.427 0.676 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124902937 799645969 /nfs/dbraw/zinc/64/59/69/799645969.db2.gz NWFVLPRVXFMDFU-SFYZADRCSA-N 1 2 251.290 0.305 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857887 799749052 /nfs/dbraw/zinc/74/90/52/799749052.db2.gz XYEULUFZBMJYBM-NWDGAFQWSA-N 1 2 287.367 0.883 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccnc(SC)n2)CC1 ZINC001140034987 799872022 /nfs/dbraw/zinc/87/20/22/799872022.db2.gz BFADKHCMVRWODN-UHFFFAOYSA-N 1 2 262.382 0.949 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012677 799887392 /nfs/dbraw/zinc/88/73/92/799887392.db2.gz GAVHJOLYLXGLRV-QWHCGFSZSA-N 1 2 287.367 0.883 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012677 799887401 /nfs/dbraw/zinc/88/74/01/799887401.db2.gz GAVHJOLYLXGLRV-QWHCGFSZSA-N 1 2 287.367 0.883 20 30 CCEDLO COCCN(CC#N)C(=O)CCCn1cc[nH+]c1 ZINC001141800735 800035208 /nfs/dbraw/zinc/03/52/08/800035208.db2.gz GVASNAMWDWLEMP-UHFFFAOYSA-N 1 2 250.302 0.662 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001149400871 800256587 /nfs/dbraw/zinc/25/65/87/800256587.db2.gz YDUPFZWEZAVREM-LBPRGKRZSA-N 1 2 280.368 0.442 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001149400871 800256589 /nfs/dbraw/zinc/25/65/89/800256589.db2.gz YDUPFZWEZAVREM-LBPRGKRZSA-N 1 2 280.368 0.442 20 30 CCEDLO CC#CC[NH2+]CCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001152066080 800486665 /nfs/dbraw/zinc/48/66/65/800486665.db2.gz DWNKYSVYZWSFLQ-UHFFFAOYSA-N 1 2 293.289 0.173 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]n3nc(C)nc23)CC1 ZINC001154661958 800826328 /nfs/dbraw/zinc/82/63/28/800826328.db2.gz UFNUWTMRLZHOEG-UHFFFAOYSA-N 1 2 274.328 0.310 20 30 CCEDLO COC(=O)c1cc(C#N)cnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001155201752 800930615 /nfs/dbraw/zinc/93/06/15/800930615.db2.gz PQACVAMKVBAAHU-NSHDSACASA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1cc(C#N)cnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001155201752 800930622 /nfs/dbraw/zinc/93/06/22/800930622.db2.gz PQACVAMKVBAAHU-NSHDSACASA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1C ZINC001156319754 801148968 /nfs/dbraw/zinc/14/89/68/801148968.db2.gz DHKXMFSYMUAOBR-JTQLQIEISA-N 1 2 260.297 0.478 20 30 CCEDLO COC(=O)c1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1C ZINC001156320976 801150037 /nfs/dbraw/zinc/15/00/37/801150037.db2.gz KGKBKQLUDLGZRT-JTQLQIEISA-N 1 2 260.297 0.478 20 30 CCEDLO O=C(C#CC1CC1)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001157718618 801463022 /nfs/dbraw/zinc/46/30/22/801463022.db2.gz FAKAYLWJYPAMKC-UHFFFAOYSA-N 1 2 288.351 0.956 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(C)c1C#N ZINC001157770307 801477529 /nfs/dbraw/zinc/47/75/29/801477529.db2.gz HKRKLLVNKQSOCY-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(C)c1C#N ZINC001157770307 801477535 /nfs/dbraw/zinc/47/75/35/801477535.db2.gz HKRKLLVNKQSOCY-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc2[nH]cc(C#N)c21 ZINC001157773894 801481499 /nfs/dbraw/zinc/48/14/99/801481499.db2.gz UDROSCLMLOBURG-GFCCVEGCSA-N 1 2 299.334 0.728 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc2[nH]cc(C#N)c21 ZINC001157773894 801481505 /nfs/dbraw/zinc/48/15/05/801481505.db2.gz UDROSCLMLOBURG-GFCCVEGCSA-N 1 2 299.334 0.728 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955736 801728627 /nfs/dbraw/zinc/72/86/27/801728627.db2.gz UTDDWKPXGCHFIB-CYBMUJFWSA-N 1 2 275.356 0.720 20 30 CCEDLO C=CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001259935665 808810250 /nfs/dbraw/zinc/81/02/50/808810250.db2.gz NHOAWDMGSJISFD-ZDUSSCGKSA-N 1 2 281.381 0.761 20 30 CCEDLO C=CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001259935665 808810259 /nfs/dbraw/zinc/81/02/59/808810259.db2.gz NHOAWDMGSJISFD-ZDUSSCGKSA-N 1 2 281.381 0.761 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccnc1C ZINC001264381204 809648296 /nfs/dbraw/zinc/64/82/96/809648296.db2.gz YZXDBAKVLXDIHI-ZDUSSCGKSA-N 1 2 262.357 0.910 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1ccnc1C ZINC001264381204 809648298 /nfs/dbraw/zinc/64/82/98/809648298.db2.gz YZXDBAKVLXDIHI-ZDUSSCGKSA-N 1 2 262.357 0.910 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001164651434 802775707 /nfs/dbraw/zinc/77/57/07/802775707.db2.gz HDCSVIAKQREBRT-GFCCVEGCSA-N 1 2 271.324 0.276 20 30 CCEDLO COC(=O)c1cc2c[nH]c(N3CC[NH2+]C[C@H]3C#N)cc-2n1 ZINC001164653044 802776926 /nfs/dbraw/zinc/77/69/26/802776926.db2.gz ZZTVYHDYPSAHQW-SNVBAGLBSA-N 1 2 285.307 0.651 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001276531307 803395842 /nfs/dbraw/zinc/39/58/42/803395842.db2.gz AVJVTURIAIZXFC-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCC)C2)C1 ZINC001276531307 803395849 /nfs/dbraw/zinc/39/58/49/803395849.db2.gz AVJVTURIAIZXFC-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208129613 803494032 /nfs/dbraw/zinc/49/40/32/803494032.db2.gz YQMNDZWGPCBLGE-JMSVASOKSA-N 1 2 297.399 0.137 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208129613 803494036 /nfs/dbraw/zinc/49/40/36/803494036.db2.gz YQMNDZWGPCBLGE-JMSVASOKSA-N 1 2 297.399 0.137 20 30 CCEDLO C=CCN(CC[N@@H+]1CCCNC(=O)C1)C(=O)OCC ZINC001209015828 803563195 /nfs/dbraw/zinc/56/31/95/803563195.db2.gz ALQVSTMDADESHX-UHFFFAOYSA-N 1 2 269.345 0.453 20 30 CCEDLO C=CCN(CC[N@H+]1CCCNC(=O)C1)C(=O)OCC ZINC001209015828 803563199 /nfs/dbraw/zinc/56/31/99/803563199.db2.gz ALQVSTMDADESHX-UHFFFAOYSA-N 1 2 269.345 0.453 20 30 CCEDLO C=CCN(CC[N@@H+](C)CC(=O)NCC)C(=O)OCC ZINC001209017452 803564886 /nfs/dbraw/zinc/56/48/86/803564886.db2.gz PGXRXUCVLKMAFD-UHFFFAOYSA-N 1 2 271.361 0.699 20 30 CCEDLO C=CCN(CC[N@H+](C)CC(=O)NCC)C(=O)OCC ZINC001209017452 803564888 /nfs/dbraw/zinc/56/48/88/803564888.db2.gz PGXRXUCVLKMAFD-UHFFFAOYSA-N 1 2 271.361 0.699 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)OC)[C@H](OC)C1 ZINC001213254735 803685936 /nfs/dbraw/zinc/68/59/36/803685936.db2.gz SMYCGYBPGHRSSN-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)OC)[C@H](OC)C1 ZINC001213254735 803685939 /nfs/dbraw/zinc/68/59/39/803685939.db2.gz SMYCGYBPGHRSSN-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213271385 803687743 /nfs/dbraw/zinc/68/77/43/803687743.db2.gz WSUGCIGTIFGICX-GRYCIOLGSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213271385 803687745 /nfs/dbraw/zinc/68/77/45/803687745.db2.gz WSUGCIGTIFGICX-GRYCIOLGSA-N 1 2 297.399 0.278 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCSCC)[C@H]2C1 ZINC001217366481 803886686 /nfs/dbraw/zinc/88/66/86/803886686.db2.gz NWEHOXXJEIEVMX-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCSCC)[C@H]2C1 ZINC001217366481 803886694 /nfs/dbraw/zinc/88/66/94/803886694.db2.gz NWEHOXXJEIEVMX-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212022384 814977750 /nfs/dbraw/zinc/97/77/50/814977750.db2.gz NZZLSKARWQZGDN-GRYCIOLGSA-N 1 2 283.372 0.032 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212022384 814977753 /nfs/dbraw/zinc/97/77/53/814977753.db2.gz NZZLSKARWQZGDN-GRYCIOLGSA-N 1 2 283.372 0.032 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](OC)C1 ZINC001212039834 814982904 /nfs/dbraw/zinc/98/29/04/814982904.db2.gz UZRAUDVJUGIURX-VXGBXAGGSA-N 1 2 282.384 0.993 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](OC)C1 ZINC001212039834 814982909 /nfs/dbraw/zinc/98/29/09/814982909.db2.gz UZRAUDVJUGIURX-VXGBXAGGSA-N 1 2 282.384 0.993 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn1C ZINC001276793572 804096559 /nfs/dbraw/zinc/09/65/59/804096559.db2.gz TYPZYCJAEIZMIH-CYBMUJFWSA-N 1 2 275.352 0.479 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1C ZINC001276793572 804096572 /nfs/dbraw/zinc/09/65/72/804096572.db2.gz TYPZYCJAEIZMIH-CYBMUJFWSA-N 1 2 275.352 0.479 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)COC)[C@H]2C1 ZINC001218881019 804145861 /nfs/dbraw/zinc/14/58/61/804145861.db2.gz ONHLCYSEFNPQHX-HZSPNIEDSA-N 1 2 280.368 0.204 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)COC)[C@H]2C1 ZINC001218881019 804145866 /nfs/dbraw/zinc/14/58/66/804145866.db2.gz ONHLCYSEFNPQHX-HZSPNIEDSA-N 1 2 280.368 0.204 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001218980805 804173516 /nfs/dbraw/zinc/17/35/16/804173516.db2.gz KGPHLECSNSTKHG-VIFPVBQESA-N 1 2 276.296 0.429 20 30 CCEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001075918917 815002438 /nfs/dbraw/zinc/00/24/38/815002438.db2.gz MGCFCEBTMVSVBA-NSHDSACASA-N 1 2 294.355 0.166 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212096641 815009191 /nfs/dbraw/zinc/00/91/91/815009191.db2.gz GRTORFPNFWONBP-KDHQJITESA-N 1 2 280.368 0.418 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212096641 815009195 /nfs/dbraw/zinc/00/91/95/815009195.db2.gz GRTORFPNFWONBP-KDHQJITESA-N 1 2 280.368 0.418 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587401 804360499 /nfs/dbraw/zinc/36/04/99/804360499.db2.gz DKKNSWVHJWLQDF-UPJWGTAASA-N 1 2 270.348 0.555 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587401 804360504 /nfs/dbraw/zinc/36/05/04/804360504.db2.gz DKKNSWVHJWLQDF-UPJWGTAASA-N 1 2 270.348 0.555 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220140892 804511388 /nfs/dbraw/zinc/51/13/88/804511388.db2.gz CFTPMVONSPGHCD-OLZOCXBDSA-N 1 2 292.383 0.294 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220140892 804511393 /nfs/dbraw/zinc/51/13/93/804511393.db2.gz CFTPMVONSPGHCD-OLZOCXBDSA-N 1 2 292.383 0.294 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@@H](O)C1 ZINC001220266575 804555309 /nfs/dbraw/zinc/55/53/09/804555309.db2.gz GTUGPSPQANIMMM-AEJSXWLSSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@@H](O)C1 ZINC001220266575 804555311 /nfs/dbraw/zinc/55/53/11/804555311.db2.gz GTUGPSPQANIMMM-AEJSXWLSSA-N 1 2 278.274 0.369 20 30 CCEDLO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220572730 804627167 /nfs/dbraw/zinc/62/71/67/804627167.db2.gz IWGKATNALLVYQY-NEPJUHHUSA-N 1 2 293.371 0.326 20 30 CCEDLO C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220572730 804627174 /nfs/dbraw/zinc/62/71/74/804627174.db2.gz IWGKATNALLVYQY-NEPJUHHUSA-N 1 2 293.371 0.326 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220632077 804639740 /nfs/dbraw/zinc/63/97/40/804639740.db2.gz ZMJIPCWTWVQGMC-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220632077 804639742 /nfs/dbraw/zinc/63/97/42/804639742.db2.gz ZMJIPCWTWVQGMC-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO C=CCC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001272167906 815035218 /nfs/dbraw/zinc/03/52/18/815035218.db2.gz DACDZJADUGWWIV-VIFPVBQESA-N 1 2 286.269 0.873 20 30 CCEDLO C=CCC[NH2+]CCN(CCO)C(=O)[C@H](F)C(F)(F)F ZINC001272167906 815035225 /nfs/dbraw/zinc/03/52/25/815035225.db2.gz DACDZJADUGWWIV-VIFPVBQESA-N 1 2 286.269 0.873 20 30 CCEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221473816 804821197 /nfs/dbraw/zinc/82/11/97/804821197.db2.gz MVSBGGCDYHIGIJ-ZIAWVFJWSA-N 1 2 290.367 0.125 20 30 CCEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221473816 804821205 /nfs/dbraw/zinc/82/12/05/804821205.db2.gz MVSBGGCDYHIGIJ-ZIAWVFJWSA-N 1 2 290.367 0.125 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(=O)N(C)C)[C@@H]2C1 ZINC001221857793 804849941 /nfs/dbraw/zinc/84/99/41/804849941.db2.gz CDILFRFRPPAGLB-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(=O)N(C)C)[C@@H]2C1 ZINC001221857793 804849945 /nfs/dbraw/zinc/84/99/45/804849945.db2.gz CDILFRFRPPAGLB-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001222637211 804922295 /nfs/dbraw/zinc/92/22/95/804922295.db2.gz YHOPKTHPHZRQTB-NSHDSACASA-N 1 2 290.371 0.303 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001276955802 805014818 /nfs/dbraw/zinc/01/48/18/805014818.db2.gz JJUUMMRSVXFDFU-CYBMUJFWSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001276955802 805014829 /nfs/dbraw/zinc/01/48/29/805014829.db2.gz JJUUMMRSVXFDFU-CYBMUJFWSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666433 815052442 /nfs/dbraw/zinc/05/24/42/815052442.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666433 815052448 /nfs/dbraw/zinc/05/24/48/815052448.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001088666433 815052455 /nfs/dbraw/zinc/05/24/55/815052455.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001088666433 815052462 /nfs/dbraw/zinc/05/24/62/815052462.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)/C=C\C3CC3)C2)nn1 ZINC001098649464 815054548 /nfs/dbraw/zinc/05/45/48/815054548.db2.gz ROBBQIPGWRVYCR-IYKSTZQJSA-N 1 2 299.378 0.741 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc(/C=N/O)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226256793 805212030 /nfs/dbraw/zinc/21/20/30/805212030.db2.gz WMRRQBBUSGSPPK-NWRDBWSJSA-N 1 2 276.296 0.276 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc(/C=N/O)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226256793 805212034 /nfs/dbraw/zinc/21/20/34/805212034.db2.gz WMRRQBBUSGSPPK-NWRDBWSJSA-N 1 2 276.296 0.276 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001226598197 805252554 /nfs/dbraw/zinc/25/25/54/805252554.db2.gz BONDDMKDXNXXPQ-UHFFFAOYSA-N 1 2 296.396 0.821 20 30 CCEDLO CN(CCN(C)c1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576035 815063938 /nfs/dbraw/zinc/06/39/38/815063938.db2.gz IAHRMUBLIMLFPF-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001227740431 805385421 /nfs/dbraw/zinc/38/54/21/805385421.db2.gz ZJHAAQNPEUJADE-VSSGSJIUSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001227740431 805385431 /nfs/dbraw/zinc/38/54/31/805385431.db2.gz ZJHAAQNPEUJADE-VSSGSJIUSA-N 1 2 290.319 0.859 20 30 CCEDLO CCCOc1nnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1C ZINC001228452324 805446352 /nfs/dbraw/zinc/44/63/52/805446352.db2.gz IIXSBGGZEANUPN-YZCVJGAOSA-N 1 2 294.355 0.595 20 30 CCEDLO CCCOc1nnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1C ZINC001228452324 805446354 /nfs/dbraw/zinc/44/63/54/805446354.db2.gz IIXSBGGZEANUPN-YZCVJGAOSA-N 1 2 294.355 0.595 20 30 CCEDLO COc1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229390014 805529328 /nfs/dbraw/zinc/52/93/28/805529328.db2.gz GSHUFHOUEFLNRM-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO COc1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229390014 805529330 /nfs/dbraw/zinc/52/93/30/805529330.db2.gz GSHUFHOUEFLNRM-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001277399933 805542980 /nfs/dbraw/zinc/54/29/80/805542980.db2.gz XDHOYQJJNLHYOB-QWRGUYRKSA-N 1 2 255.387 0.452 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001277399933 805542986 /nfs/dbraw/zinc/54/29/86/805542986.db2.gz XDHOYQJJNLHYOB-QWRGUYRKSA-N 1 2 255.387 0.452 20 30 CCEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC001248751916 807523041 /nfs/dbraw/zinc/52/30/41/807523041.db2.gz PGVXUJXQAXORHZ-AWEZNQCLSA-N 1 2 273.336 0.807 20 30 CCEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001248751916 807523047 /nfs/dbraw/zinc/52/30/47/807523047.db2.gz PGVXUJXQAXORHZ-AWEZNQCLSA-N 1 2 273.336 0.807 20 30 CCEDLO C=C1CN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001251640182 807692045 /nfs/dbraw/zinc/69/20/45/807692045.db2.gz NEOLOVXDPXUNSY-NEPJUHHUSA-N 1 2 252.362 0.202 20 30 CCEDLO C=C1CN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001251640182 807692051 /nfs/dbraw/zinc/69/20/51/807692051.db2.gz NEOLOVXDPXUNSY-NEPJUHHUSA-N 1 2 252.362 0.202 20 30 CCEDLO C#CCOC[C@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001251832717 807714312 /nfs/dbraw/zinc/71/43/12/807714312.db2.gz PXXDUYQIHYLEPL-CYBMUJFWSA-N 1 2 263.341 0.960 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2CCCC3)[C@@H](O)C1 ZINC001083485554 815156952 /nfs/dbraw/zinc/15/69/52/815156952.db2.gz DXCAFHJHKOOZEX-SJORKVTESA-N 1 2 298.386 0.974 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c2CCCC3)[C@@H](O)C1 ZINC001083485554 815156953 /nfs/dbraw/zinc/15/69/53/815156953.db2.gz DXCAFHJHKOOZEX-SJORKVTESA-N 1 2 298.386 0.974 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001253576214 808083691 /nfs/dbraw/zinc/08/36/91/808083691.db2.gz KWEWSELNSMQVLO-JSGCOSHPSA-N 1 2 292.383 0.781 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001253576214 808083698 /nfs/dbraw/zinc/08/36/98/808083698.db2.gz KWEWSELNSMQVLO-JSGCOSHPSA-N 1 2 292.383 0.781 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)C(C)C ZINC001253758962 808133318 /nfs/dbraw/zinc/13/33/18/808133318.db2.gz DDAFBVDZURLKAP-KGLIPLIRSA-N 1 2 294.399 0.934 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)C(C)C ZINC001253758962 808133324 /nfs/dbraw/zinc/13/33/24/808133324.db2.gz DDAFBVDZURLKAP-KGLIPLIRSA-N 1 2 294.399 0.934 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cccn2C)C1 ZINC001278838599 808315634 /nfs/dbraw/zinc/31/56/34/808315634.db2.gz XLDOCDVZULDEPT-UHFFFAOYSA-N 1 2 263.341 0.378 20 30 CCEDLO Cc1nonc1C[NH2+]CCNC(=O)C#CC(C)(C)C ZINC001126893566 815198322 /nfs/dbraw/zinc/19/83/22/815198322.db2.gz SKRWNRZXWBKTNS-UHFFFAOYSA-N 1 2 264.329 0.633 20 30 CCEDLO Cn1cc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)c(C#N)n1 ZINC001142626488 815206736 /nfs/dbraw/zinc/20/67/36/815206736.db2.gz OENDRGCMJMAESN-LBPRGKRZSA-N 1 2 259.313 0.715 20 30 CCEDLO C#CCCCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001257333207 808611200 /nfs/dbraw/zinc/61/12/00/808611200.db2.gz STSRZJWLLYCLPI-UHFFFAOYSA-N 1 2 290.367 0.699 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1cn(CC2(CC#N)CC2)nn1 ZINC001261566850 809022332 /nfs/dbraw/zinc/02/23/32/809022332.db2.gz FVTIEOMLHTYFCG-JTQLQIEISA-N 1 2 263.301 0.015 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@]2(C(=O)OC)CCOC2)CC1 ZINC001261801065 809092496 /nfs/dbraw/zinc/09/24/96/809092496.db2.gz CSVSPEQAHNHCPM-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cc(C(=O)OCC)n[nH]2)CC1 ZINC001262112894 809194304 /nfs/dbraw/zinc/19/43/04/809194304.db2.gz WHFXPPXOVVPXJP-UHFFFAOYSA-N 1 2 277.324 0.547 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265220771 809726709 /nfs/dbraw/zinc/72/67/09/809726709.db2.gz QLJRTMVHMIDARM-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265220771 809726710 /nfs/dbraw/zinc/72/67/10/809726710.db2.gz QLJRTMVHMIDARM-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001265268454 809737559 /nfs/dbraw/zinc/73/75/59/809737559.db2.gz OZEGTRJSSUHCBW-ZDUSSCGKSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001265268454 809737562 /nfs/dbraw/zinc/73/75/62/809737562.db2.gz OZEGTRJSSUHCBW-ZDUSSCGKSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001265268670 809737994 /nfs/dbraw/zinc/73/79/94/809737994.db2.gz UTNWMPDGAVSHSN-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001265268670 809737999 /nfs/dbraw/zinc/73/79/99/809737999.db2.gz UTNWMPDGAVSHSN-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC1 ZINC001265636374 809817111 /nfs/dbraw/zinc/81/71/11/809817111.db2.gz HZEDCRPKBKGFIC-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC1 ZINC001265636374 809817117 /nfs/dbraw/zinc/81/71/17/809817117.db2.gz HZEDCRPKBKGFIC-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 ZINC001076690824 815347776 /nfs/dbraw/zinc/34/77/76/815347776.db2.gz WVBMUQFZAFFODQ-ZIAGYGMSSA-N 1 2 276.311 0.624 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 ZINC001076690824 815347782 /nfs/dbraw/zinc/34/77/82/815347782.db2.gz WVBMUQFZAFFODQ-ZIAGYGMSSA-N 1 2 276.311 0.624 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001267333126 811169712 /nfs/dbraw/zinc/16/97/12/811169712.db2.gz WRMWHDOZVZJKSO-UHFFFAOYSA-N 1 2 285.775 0.585 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001267333126 811169717 /nfs/dbraw/zinc/16/97/17/811169717.db2.gz WRMWHDOZVZJKSO-UHFFFAOYSA-N 1 2 285.775 0.585 20 30 CCEDLO Cc1noc(C[NH2+]CCN(C)C(=O)CSCC#N)n1 ZINC001267347799 811189290 /nfs/dbraw/zinc/18/92/90/811189290.db2.gz KYJACEZMCFKELX-UHFFFAOYSA-N 1 2 283.357 0.183 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267370173 811226475 /nfs/dbraw/zinc/22/64/75/811226475.db2.gz IGXKISYCZZVVOV-UHFFFAOYSA-N 1 2 266.370 0.746 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038297791 811326252 /nfs/dbraw/zinc/32/62/52/811326252.db2.gz QVHWOBJKYUAVPJ-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038297791 811326265 /nfs/dbraw/zinc/32/62/65/811326265.db2.gz QVHWOBJKYUAVPJ-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001267528019 811409147 /nfs/dbraw/zinc/40/91/47/811409147.db2.gz RIFLQHMPGHSWRB-TXEJJXNPSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001267528019 811409153 /nfs/dbraw/zinc/40/91/53/811409153.db2.gz RIFLQHMPGHSWRB-TXEJJXNPSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCOC2)CC1 ZINC001267573771 811465765 /nfs/dbraw/zinc/46/57/65/811465765.db2.gz LMNSKQSOVFGISQ-HNNXBMFYSA-N 1 2 295.427 0.675 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C2=COCCO2)CC1 ZINC001267574104 811465990 /nfs/dbraw/zinc/46/59/90/811465990.db2.gz VRXFMGHDYLQRQA-UHFFFAOYSA-N 1 2 295.383 0.137 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H](C)COC)CC1 ZINC001267573935 811466430 /nfs/dbraw/zinc/46/64/30/811466430.db2.gz POLXKVOYMKUUIW-CQSZACIVSA-N 1 2 283.416 0.531 20 30 CCEDLO CC[C@H](C)OCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267606329 811546038 /nfs/dbraw/zinc/54/60/38/811546038.db2.gz VQHYKCOPANXCKV-AWEZNQCLSA-N 1 2 296.415 0.401 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648295 811546446 /nfs/dbraw/zinc/54/64/46/811546446.db2.gz SNLTXDIIQBGRPW-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648334 811546503 /nfs/dbraw/zinc/54/65/03/811546503.db2.gz TVQFDGKLIUYBTG-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267616914 811572560 /nfs/dbraw/zinc/57/25/60/811572560.db2.gz GHQJBAAHBRBHOB-OLZOCXBDSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267616914 811572565 /nfs/dbraw/zinc/57/25/65/811572565.db2.gz GHQJBAAHBRBHOB-OLZOCXBDSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001267623081 811583334 /nfs/dbraw/zinc/58/33/34/811583334.db2.gz AMURSVQCDSXEJM-NEPJUHHUSA-N 1 2 278.356 0.029 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001267623081 811583337 /nfs/dbraw/zinc/58/33/37/811583337.db2.gz AMURSVQCDSXEJM-NEPJUHHUSA-N 1 2 278.356 0.029 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](Cc2cnnn2CC)C1 ZINC001267677265 811641393 /nfs/dbraw/zinc/64/13/93/811641393.db2.gz ZSJULKGBTBIUGP-UHFFFAOYSA-N 1 2 277.372 0.812 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001267700528 811664463 /nfs/dbraw/zinc/66/44/63/811664463.db2.gz QVUPKDFPZJPYGE-RDBSUJKOSA-N 1 2 291.395 0.456 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001267700528 811664466 /nfs/dbraw/zinc/66/44/66/811664466.db2.gz QVUPKDFPZJPYGE-RDBSUJKOSA-N 1 2 291.395 0.456 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCC(F)F ZINC001267706912 811671215 /nfs/dbraw/zinc/67/12/15/811671215.db2.gz UAGVUEPVURFZIJ-STQMWFEESA-N 1 2 298.333 0.967 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCC(F)F ZINC001267706912 811671220 /nfs/dbraw/zinc/67/12/20/811671220.db2.gz UAGVUEPVURFZIJ-STQMWFEESA-N 1 2 298.333 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001267712827 811674542 /nfs/dbraw/zinc/67/45/42/811674542.db2.gz WIKSMMMSXVUSFX-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001267712827 811674546 /nfs/dbraw/zinc/67/45/46/811674546.db2.gz WIKSMMMSXVUSFX-MELADBBJSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(=O)NC ZINC001267716877 811679428 /nfs/dbraw/zinc/67/94/28/811679428.db2.gz TXUXJVGFYYFDOG-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(=O)NC ZINC001267716877 811679434 /nfs/dbraw/zinc/67/94/34/811679434.db2.gz TXUXJVGFYYFDOG-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)C1 ZINC001267717814 811680642 /nfs/dbraw/zinc/68/06/42/811680642.db2.gz MMVRTMPORQTGAY-LBPRGKRZSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C1 ZINC001267717814 811680646 /nfs/dbraw/zinc/68/06/46/811680646.db2.gz MMVRTMPORQTGAY-LBPRGKRZSA-N 1 2 289.335 0.142 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267719594 811683389 /nfs/dbraw/zinc/68/33/89/811683389.db2.gz GSMBBUNEYWCFPF-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267719594 811683393 /nfs/dbraw/zinc/68/33/93/811683393.db2.gz GSMBBUNEYWCFPF-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001077271262 815471274 /nfs/dbraw/zinc/47/12/74/815471274.db2.gz LXRAMCFNPZPBPZ-VXGBXAGGSA-N 1 2 268.332 0.453 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001077271262 815471277 /nfs/dbraw/zinc/47/12/77/815471277.db2.gz LXRAMCFNPZPBPZ-VXGBXAGGSA-N 1 2 268.332 0.453 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001267750735 811745788 /nfs/dbraw/zinc/74/57/88/811745788.db2.gz FCJYRBBZXDVSPZ-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001267750735 811745794 /nfs/dbraw/zinc/74/57/94/811745794.db2.gz FCJYRBBZXDVSPZ-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nnc(C)o1 ZINC001267801271 811797217 /nfs/dbraw/zinc/79/72/17/811797217.db2.gz SQLMUFJBZUCYSZ-PSASIEDQSA-N 1 2 265.317 0.522 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCCC(=O)NCC)C1 ZINC001268030899 812037457 /nfs/dbraw/zinc/03/74/57/812037457.db2.gz WRWIGNJKYLQNCE-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCCC(=O)NCC)C1 ZINC001268030899 812037464 /nfs/dbraw/zinc/03/74/64/812037464.db2.gz WRWIGNJKYLQNCE-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038757788 812051388 /nfs/dbraw/zinc/05/13/88/812051388.db2.gz OINIMCPTBGQVRK-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038757788 812051397 /nfs/dbraw/zinc/05/13/97/812051397.db2.gz OINIMCPTBGQVRK-LBPRGKRZSA-N 1 2 283.335 0.475 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001075581143 812084868 /nfs/dbraw/zinc/08/48/68/812084868.db2.gz GNQLHFAKXCVXEP-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001075581143 812084879 /nfs/dbraw/zinc/08/48/79/812084879.db2.gz GNQLHFAKXCVXEP-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001027860578 812102088 /nfs/dbraw/zinc/10/20/88/812102088.db2.gz JSPBQYDIRZOEHZ-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001027860578 812102093 /nfs/dbraw/zinc/10/20/93/812102093.db2.gz JSPBQYDIRZOEHZ-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098632233 812133459 /nfs/dbraw/zinc/13/34/59/812133459.db2.gz AKILIZQEPZELNX-ZYHUDNBSSA-N 1 2 294.334 0.270 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038857898 812254038 /nfs/dbraw/zinc/25/40/38/812254038.db2.gz UNOACLCUHBACPX-CQSZACIVSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038857898 812254045 /nfs/dbraw/zinc/25/40/45/812254045.db2.gz UNOACLCUHBACPX-CQSZACIVSA-N 1 2 297.362 0.796 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)[C@H](OC)C1 ZINC001213195019 812490275 /nfs/dbraw/zinc/49/02/75/812490275.db2.gz BVUGYLBWCLPMLG-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)[C@H](OC)C1 ZINC001213195019 812490280 /nfs/dbraw/zinc/49/02/80/812490280.db2.gz BVUGYLBWCLPMLG-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001126360044 812630432 /nfs/dbraw/zinc/63/04/32/812630432.db2.gz HJBOUXHCDXWDKN-ZDUSSCGKSA-N 1 2 267.329 0.516 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211771130 812714844 /nfs/dbraw/zinc/71/48/44/812714844.db2.gz PSBPQSSPUITFLI-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211771130 812714849 /nfs/dbraw/zinc/71/48/49/812714849.db2.gz PSBPQSSPUITFLI-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO N#CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000426416950 812794033 /nfs/dbraw/zinc/79/40/33/812794033.db2.gz NLGZVDSHQSLXBE-LLVKDONJSA-N 1 2 259.313 0.873 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001126377502 812803901 /nfs/dbraw/zinc/80/39/01/812803901.db2.gz BKRILEOVCCDAPH-HZMBPMFUSA-N 1 2 296.371 0.726 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001126383160 812842817 /nfs/dbraw/zinc/84/28/17/812842817.db2.gz FTJXHVPBXADCJS-ZANVPECISA-N 1 2 282.344 0.472 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001268883443 813130107 /nfs/dbraw/zinc/13/01/07/813130107.db2.gz LELZMUPRQRWLJU-LBPRGKRZSA-N 1 2 279.384 0.076 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001269084489 813209464 /nfs/dbraw/zinc/20/94/64/813209464.db2.gz UAQIWQYEGOHWAI-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001269084489 813209473 /nfs/dbraw/zinc/20/94/73/813209473.db2.gz UAQIWQYEGOHWAI-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001269261476 813294671 /nfs/dbraw/zinc/29/46/71/813294671.db2.gz SHBCGRYNZPONIP-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001269261476 813294677 /nfs/dbraw/zinc/29/46/77/813294677.db2.gz SHBCGRYNZPONIP-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001269273554 813301160 /nfs/dbraw/zinc/30/11/60/813301160.db2.gz ZLJROOOJQBBRGK-ZDUSSCGKSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001269273554 813301162 /nfs/dbraw/zinc/30/11/62/813301162.db2.gz ZLJROOOJQBBRGK-ZDUSSCGKSA-N 1 2 293.411 0.915 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001269278071 813304545 /nfs/dbraw/zinc/30/45/45/813304545.db2.gz BROMZNOJMAEVFA-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001269278071 813304553 /nfs/dbraw/zinc/30/45/53/813304553.db2.gz BROMZNOJMAEVFA-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269886503 813546969 /nfs/dbraw/zinc/54/69/69/813546969.db2.gz HUNWIPDMXRBRLP-CQSZACIVSA-N 1 2 295.427 0.673 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001270435962 813762119 /nfs/dbraw/zinc/76/21/19/813762119.db2.gz IVAAMHVCQFWESP-NEPJUHHUSA-N 1 2 275.356 0.311 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001270507878 813790542 /nfs/dbraw/zinc/79/05/42/813790542.db2.gz OVZVZZXVKJREGC-WCFLWFBJSA-N 1 2 273.340 0.745 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001270507878 813790545 /nfs/dbraw/zinc/79/05/45/813790545.db2.gz OVZVZZXVKJREGC-WCFLWFBJSA-N 1 2 273.340 0.745 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001270599738 813831428 /nfs/dbraw/zinc/83/14/28/813831428.db2.gz MLFBMFIGVBNHEY-WCQYABFASA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001270599738 813831434 /nfs/dbraw/zinc/83/14/34/813831434.db2.gz MLFBMFIGVBNHEY-WCQYABFASA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)COC)C1 ZINC001270630009 813853866 /nfs/dbraw/zinc/85/38/66/813853866.db2.gz VVRHKRDCHOHXRT-NEPJUHHUSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)COC)C1 ZINC001270630009 813853873 /nfs/dbraw/zinc/85/38/73/813853873.db2.gz VVRHKRDCHOHXRT-NEPJUHHUSA-N 1 2 256.346 0.272 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCCCC)C1 ZINC001271244631 814349026 /nfs/dbraw/zinc/34/90/26/814349026.db2.gz NGDNECJVXZBOOM-UHFFFAOYSA-N 1 2 252.358 0.753 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029677013 814535489 /nfs/dbraw/zinc/53/54/89/814535489.db2.gz HTNXFXWTCFYCRG-RYUDHWBXSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029677013 814535493 /nfs/dbraw/zinc/53/54/93/814535493.db2.gz HTNXFXWTCFYCRG-RYUDHWBXSA-N 1 2 290.371 0.255 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC)CC2)c1 ZINC000127274631 814554559 /nfs/dbraw/zinc/55/45/59/814554559.db2.gz RQMRZIDTZBTUFR-UHFFFAOYSA-N 1 2 285.347 0.771 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001088464764 814717135 /nfs/dbraw/zinc/71/71/35/814717135.db2.gz OMIFCTUWTKSRGD-ZJUUUORDSA-N 1 2 264.354 0.672 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001088464764 814717139 /nfs/dbraw/zinc/71/71/39/814717139.db2.gz OMIFCTUWTKSRGD-ZJUUUORDSA-N 1 2 264.354 0.672 20 30 CCEDLO C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)O1 ZINC001030196191 815881298 /nfs/dbraw/zinc/88/12/98/815881298.db2.gz LASMZBNKHYCLAH-MFKMUULPSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001030319973 815975383 /nfs/dbraw/zinc/97/53/83/815975383.db2.gz CLSBMARXXMBCSD-UHFFFAOYSA-N 1 2 296.374 0.940 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030332937 815979828 /nfs/dbraw/zinc/97/98/28/815979828.db2.gz UZBNOJBMFMUKQU-BNOWGMLFSA-N 1 2 282.384 0.803 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc3[nH]cnc32)C1 ZINC001030345156 815986483 /nfs/dbraw/zinc/98/64/83/815986483.db2.gz OZMGYWJBPBVDPV-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3ccnn32)C1 ZINC001030427910 816033971 /nfs/dbraw/zinc/03/39/71/816033971.db2.gz XUEBAHMMFADGBX-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001030482357 816057831 /nfs/dbraw/zinc/05/78/31/816057831.db2.gz SGEXAEDIYBIJCG-UHFFFAOYSA-N 1 2 268.320 0.952 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)nc2CC)C1 ZINC001030488211 816061321 /nfs/dbraw/zinc/06/13/21/816061321.db2.gz LVKMSPQHZOPLMH-UHFFFAOYSA-N 1 2 262.357 0.973 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001272452985 816443042 /nfs/dbraw/zinc/44/30/42/816443042.db2.gz LUGPWMXRNYTFSC-UHFFFAOYSA-N 1 2 251.330 0.613 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001030937671 816466660 /nfs/dbraw/zinc/46/66/60/816466660.db2.gz SHOZNDFTQSAIBU-LBPRGKRZSA-N 1 2 265.357 0.422 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030977499 816525576 /nfs/dbraw/zinc/52/55/76/816525576.db2.gz OBCKWVBSACEXAT-UHTWSYAYSA-N 1 2 268.357 0.413 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001031059339 816614187 /nfs/dbraw/zinc/61/41/87/816614187.db2.gz JLUMFQCUJIADAT-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001031115241 816660058 /nfs/dbraw/zinc/66/00/58/816660058.db2.gz YONQAPLQEOYAAN-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001031185296 816759447 /nfs/dbraw/zinc/75/94/47/816759447.db2.gz MEPDFFJTLRQOHG-NSHDSACASA-N 1 2 286.379 0.972 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2CCCC3)C1 ZINC001031206263 816802279 /nfs/dbraw/zinc/80/22/79/816802279.db2.gz HISLNEPVTILXRZ-UHFFFAOYSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](CC)C1 ZINC001031276268 816921579 /nfs/dbraw/zinc/92/15/79/816921579.db2.gz SQFVMGILDPXBST-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](O)C1 ZINC001083740521 816937659 /nfs/dbraw/zinc/93/76/59/816937659.db2.gz FYUSAIILDCVONG-KFWWJZLASA-N 1 2 270.332 0.121 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](O)C1 ZINC001083740521 816937661 /nfs/dbraw/zinc/93/76/61/816937661.db2.gz FYUSAIILDCVONG-KFWWJZLASA-N 1 2 270.332 0.121 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001031380924 817014772 /nfs/dbraw/zinc/01/47/72/817014772.db2.gz OHQMLFQXSBNOTJ-UHFFFAOYSA-N 1 2 276.340 0.328 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083757390 817082525 /nfs/dbraw/zinc/08/25/25/817082525.db2.gz JFDCPBOYDGHVER-UPJWGTAASA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083757390 817082529 /nfs/dbraw/zinc/08/25/29/817082529.db2.gz JFDCPBOYDGHVER-UPJWGTAASA-N 1 2 264.369 0.607 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251191 817237338 /nfs/dbraw/zinc/23/73/38/817237338.db2.gz ROXZMQSIMNRYNR-LTNDSLNHSA-N 1 2 282.771 0.968 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251191 817237341 /nfs/dbraw/zinc/23/73/41/817237341.db2.gz ROXZMQSIMNRYNR-LTNDSLNHSA-N 1 2 282.771 0.968 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031709214 817272600 /nfs/dbraw/zinc/27/26/00/817272600.db2.gz LKZRPUBULBKPAG-NSHDSACASA-N 1 2 285.775 0.265 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031755812 817340714 /nfs/dbraw/zinc/34/07/14/817340714.db2.gz QIIHAEIOEDORRH-LLVKDONJSA-N 1 2 285.775 0.456 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](O)C1 ZINC001083766735 817349307 /nfs/dbraw/zinc/34/93/07/817349307.db2.gz RSJIUSZQYVUWKC-MNOVXSKESA-N 1 2 298.293 0.146 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](O)C1 ZINC001083766735 817349310 /nfs/dbraw/zinc/34/93/10/817349310.db2.gz RSJIUSZQYVUWKC-MNOVXSKESA-N 1 2 298.293 0.146 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212303685 817360241 /nfs/dbraw/zinc/36/02/41/817360241.db2.gz JNBNTBZSUMVYJK-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212303685 817360247 /nfs/dbraw/zinc/36/02/47/817360247.db2.gz JNBNTBZSUMVYJK-CHWSQXEVSA-N 1 2 280.368 0.252 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001031778623 817360373 /nfs/dbraw/zinc/36/03/73/817360373.db2.gz SBSRIPNWHDCXJJ-UHFFFAOYSA-N 1 2 295.770 0.799 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212346889 817423664 /nfs/dbraw/zinc/42/36/64/817423664.db2.gz HJRDDHNPXDOBDZ-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212346889 817423667 /nfs/dbraw/zinc/42/36/67/817423667.db2.gz HJRDDHNPXDOBDZ-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNCC#N)[C@H](C)C1 ZINC001106922518 817445928 /nfs/dbraw/zinc/44/59/28/817445928.db2.gz FZBFGPRJLNFLPO-ZYHUDNBSSA-N 1 2 275.356 0.468 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001124896855 817622027 /nfs/dbraw/zinc/62/20/27/817622027.db2.gz PZPBSECOHWGZAU-HTQZYQBOSA-N 1 2 253.331 0.465 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cccn1 ZINC001032279346 817777751 /nfs/dbraw/zinc/77/77/51/817777751.db2.gz MCHGWGYDFXKZDL-STQMWFEESA-N 1 2 258.325 0.192 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cccn1 ZINC001032279346 817777755 /nfs/dbraw/zinc/77/77/55/817777755.db2.gz MCHGWGYDFXKZDL-STQMWFEESA-N 1 2 258.325 0.192 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCO1 ZINC001032291626 817786292 /nfs/dbraw/zinc/78/62/92/817786292.db2.gz PAPXTHYWUXFOPF-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCO1 ZINC001032291626 817786300 /nfs/dbraw/zinc/78/63/00/817786300.db2.gz PAPXTHYWUXFOPF-IHRRRGAJSA-N 1 2 262.353 0.864 20 30 CCEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107202232 817807405 /nfs/dbraw/zinc/80/74/05/817807405.db2.gz XTRDQGSXLKTDGF-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107345697 817840359 /nfs/dbraw/zinc/84/03/59/817840359.db2.gz FJUSUQFXVRNUCE-FOQNGQEVSA-N 1 2 288.351 0.908 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)on1 ZINC001032320777 817858853 /nfs/dbraw/zinc/85/88/53/817858853.db2.gz UKMQBOBTYNRICK-KBPBESRZSA-N 1 2 273.336 0.834 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)on1 ZINC001032320777 817858861 /nfs/dbraw/zinc/85/88/61/817858861.db2.gz UKMQBOBTYNRICK-KBPBESRZSA-N 1 2 273.336 0.834 20 30 CCEDLO N#Cc1cncc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001107539866 817876685 /nfs/dbraw/zinc/87/66/85/817876685.db2.gz VFZSSEKSPKGHGK-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO N#Cc1ccc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001107539115 817876993 /nfs/dbraw/zinc/87/69/93/817876993.db2.gz GGESGGPJXGDBOZ-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2CC)C1 ZINC001077633003 817892424 /nfs/dbraw/zinc/89/24/24/817892424.db2.gz XRIRBKJESSLERI-VXGBXAGGSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2CC)C1 ZINC001077633003 817892431 /nfs/dbraw/zinc/89/24/31/817892431.db2.gz XRIRBKJESSLERI-VXGBXAGGSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107681948 817939346 /nfs/dbraw/zinc/93/93/46/817939346.db2.gz OOCQQXSSELXBKP-OAHLLOKOSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107681948 817939351 /nfs/dbraw/zinc/93/93/51/817939351.db2.gz OOCQQXSSELXBKP-OAHLLOKOSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107723288 817968980 /nfs/dbraw/zinc/96/89/80/817968980.db2.gz ZEVDUNZKXCIPFB-AWEZNQCLSA-N 1 2 284.425 0.970 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107723288 817968985 /nfs/dbraw/zinc/96/89/85/817968985.db2.gz ZEVDUNZKXCIPFB-AWEZNQCLSA-N 1 2 284.425 0.970 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107777196 817999124 /nfs/dbraw/zinc/99/91/24/817999124.db2.gz IVPRSONPLMRAPD-YPMHNXCESA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107777196 817999129 /nfs/dbraw/zinc/99/91/29/817999129.db2.gz IVPRSONPLMRAPD-YPMHNXCESA-N 1 2 256.346 0.414 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362784 818001071 /nfs/dbraw/zinc/00/10/71/818001071.db2.gz SSBYGLMBWSRAKP-RYUDHWBXSA-N 1 2 254.293 0.418 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362784 818001081 /nfs/dbraw/zinc/00/10/81/818001081.db2.gz SSBYGLMBWSRAKP-RYUDHWBXSA-N 1 2 254.293 0.418 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001083811344 818088435 /nfs/dbraw/zinc/08/84/35/818088435.db2.gz KLWAIBBVOZAJLG-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001083811344 818088439 /nfs/dbraw/zinc/08/84/39/818088439.db2.gz KLWAIBBVOZAJLG-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn3nnnc3c2)C1 ZINC001043509171 818090982 /nfs/dbraw/zinc/09/09/82/818090982.db2.gz ZYFXBSUAHIDDON-UHFFFAOYSA-N 1 2 286.339 0.457 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089976693 818106963 /nfs/dbraw/zinc/10/69/63/818106963.db2.gz PPLWZGZDPXJJIS-CABCVRRESA-N 1 2 273.336 0.630 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089976693 818106965 /nfs/dbraw/zinc/10/69/65/818106965.db2.gz PPLWZGZDPXJJIS-CABCVRRESA-N 1 2 273.336 0.630 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1c(C)n[nH]c1C)C2 ZINC001272975961 818213274 /nfs/dbraw/zinc/21/32/74/818213274.db2.gz OMDRWGSOLKKQMT-UHFFFAOYSA-N 1 2 290.367 0.626 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001032956992 818384686 /nfs/dbraw/zinc/38/46/86/818384686.db2.gz MGZKJQTVSSJXRS-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001032956992 818384697 /nfs/dbraw/zinc/38/46/97/818384697.db2.gz MGZKJQTVSSJXRS-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCN1C[C@]2(CC[N@H+](Cc3nccs3)C2)OCC1=O ZINC001273014491 818408865 /nfs/dbraw/zinc/40/88/65/818408865.db2.gz PKUVIKWRKZMVJW-CQSZACIVSA-N 1 2 291.376 0.580 20 30 CCEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3nccs3)C2)OCC1=O ZINC001273014491 818408869 /nfs/dbraw/zinc/40/88/69/818408869.db2.gz PKUVIKWRKZMVJW-CQSZACIVSA-N 1 2 291.376 0.580 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001033049925 818464305 /nfs/dbraw/zinc/46/43/05/818464305.db2.gz ZITFWBVFUMAAKG-VHSXEESVSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001033049925 818464308 /nfs/dbraw/zinc/46/43/08/818464308.db2.gz ZITFWBVFUMAAKG-VHSXEESVSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090087126 818485829 /nfs/dbraw/zinc/48/58/29/818485829.db2.gz IHIGUUPRURMBEZ-DGCLKSJQSA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001090087126 818485834 /nfs/dbraw/zinc/48/58/34/818485834.db2.gz IHIGUUPRURMBEZ-DGCLKSJQSA-N 1 2 297.786 0.943 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](O)C1 ZINC001083827653 818508352 /nfs/dbraw/zinc/50/83/52/818508352.db2.gz DBNIDBCUEDQIGS-KGLIPLIRSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](O)C1 ZINC001083827653 818508358 /nfs/dbraw/zinc/50/83/58/818508358.db2.gz DBNIDBCUEDQIGS-KGLIPLIRSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128662375 818788634 /nfs/dbraw/zinc/78/86/34/818788634.db2.gz LXXPDVKITDLZEL-NEPJUHHUSA-N 1 2 293.396 0.006 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128662375 818788640 /nfs/dbraw/zinc/78/86/40/818788640.db2.gz LXXPDVKITDLZEL-NEPJUHHUSA-N 1 2 293.396 0.006 20 30 CCEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033595865 818843507 /nfs/dbraw/zinc/84/35/07/818843507.db2.gz VTVHCQGQHZZTNA-LLVKDONJSA-N 1 2 275.356 0.744 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000700808707 818847488 /nfs/dbraw/zinc/84/74/88/818847488.db2.gz LGFKXGNVAGPYRX-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090143766 818914359 /nfs/dbraw/zinc/91/43/59/818914359.db2.gz AYZXRTVPATTYJU-PWSUYJOCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090143766 818914364 /nfs/dbraw/zinc/91/43/64/818914364.db2.gz AYZXRTVPATTYJU-PWSUYJOCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090156452 819001584 /nfs/dbraw/zinc/00/15/84/819001584.db2.gz UJYJUUWWRZVIQA-NWDGAFQWSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090156452 819001588 /nfs/dbraw/zinc/00/15/88/819001588.db2.gz UJYJUUWWRZVIQA-NWDGAFQWSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090180610 819037609 /nfs/dbraw/zinc/03/76/09/819037609.db2.gz SRZUQCAOZNDLKQ-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 ZINC001090180610 819037614 /nfs/dbraw/zinc/03/76/14/819037614.db2.gz SRZUQCAOZNDLKQ-GHMZBOCLSA-N 1 2 299.758 0.901 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034379049 819187324 /nfs/dbraw/zinc/18/73/24/819187324.db2.gz AHYHBMMMYLUWDN-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034379049 819187329 /nfs/dbraw/zinc/18/73/29/819187329.db2.gz AHYHBMMMYLUWDN-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001034448774 819203628 /nfs/dbraw/zinc/20/36/28/819203628.db2.gz UGUTWLDPFKKPGV-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001034448774 819203635 /nfs/dbraw/zinc/20/36/35/819203635.db2.gz UGUTWLDPFKKPGV-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001034448774 819203640 /nfs/dbraw/zinc/20/36/40/819203640.db2.gz UGUTWLDPFKKPGV-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001034448774 819203647 /nfs/dbraw/zinc/20/36/47/819203647.db2.gz UGUTWLDPFKKPGV-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035325629 819471707 /nfs/dbraw/zinc/47/17/07/819471707.db2.gz GPZHUJIGZDMQSH-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035325629 819471715 /nfs/dbraw/zinc/47/17/15/819471715.db2.gz GPZHUJIGZDMQSH-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340502 819480185 /nfs/dbraw/zinc/48/01/85/819480185.db2.gz KSFMBWQDMVJVNB-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340502 819480188 /nfs/dbraw/zinc/48/01/88/819480188.db2.gz KSFMBWQDMVJVNB-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncn2C)C1 ZINC001035436238 819524260 /nfs/dbraw/zinc/52/42/60/819524260.db2.gz WQRGXJNLDFRFQM-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncn2C)C1 ZINC001035436238 819524264 /nfs/dbraw/zinc/52/42/64/819524264.db2.gz WQRGXJNLDFRFQM-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035477331 819530410 /nfs/dbraw/zinc/53/04/10/819530410.db2.gz FHVNXRMSFJFBOA-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035477331 819530412 /nfs/dbraw/zinc/53/04/12/819530412.db2.gz FHVNXRMSFJFBOA-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCC#CC)[C@@H](n2ccnn2)C1 ZINC001129184254 819540344 /nfs/dbraw/zinc/54/03/44/819540344.db2.gz CJLMFVVLVBPPEI-CABCVRRESA-N 1 2 299.378 0.446 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCC#CC)[C@@H](n2ccnn2)C1 ZINC001129184254 819540349 /nfs/dbraw/zinc/54/03/49/819540349.db2.gz CJLMFVVLVBPPEI-CABCVRRESA-N 1 2 299.378 0.446 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035504015 819543055 /nfs/dbraw/zinc/54/30/55/819543055.db2.gz NQUIGJIMZUKGOG-SNVBAGLBSA-N 1 2 280.303 0.003 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035504015 819543061 /nfs/dbraw/zinc/54/30/61/819543061.db2.gz NQUIGJIMZUKGOG-SNVBAGLBSA-N 1 2 280.303 0.003 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001035536460 819550230 /nfs/dbraw/zinc/55/02/30/819550230.db2.gz XSGUZMABZZNYLY-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001035536460 819550236 /nfs/dbraw/zinc/55/02/36/819550236.db2.gz XSGUZMABZZNYLY-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC001035543550 819554202 /nfs/dbraw/zinc/55/42/02/819554202.db2.gz ZKWVHILWANAMNC-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC001035543550 819554208 /nfs/dbraw/zinc/55/42/08/819554208.db2.gz ZKWVHILWANAMNC-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129195192 819573553 /nfs/dbraw/zinc/57/35/53/819573553.db2.gz VNFOGKAVZZXTLF-OLZOCXBDSA-N 1 2 293.346 0.393 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129195192 819573556 /nfs/dbraw/zinc/57/35/56/819573556.db2.gz VNFOGKAVZZXTLF-OLZOCXBDSA-N 1 2 293.346 0.393 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622798 819580374 /nfs/dbraw/zinc/58/03/74/819580374.db2.gz XXOBNISDAFNKJM-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622798 819580377 /nfs/dbraw/zinc/58/03/77/819580377.db2.gz XXOBNISDAFNKJM-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC#C)C2)CC1 ZINC001035724925 819614253 /nfs/dbraw/zinc/61/42/53/819614253.db2.gz VGPKRWXVDWHSOT-INIZCTEOSA-N 1 2 299.418 0.642 20 30 CCEDLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1nc(C#N)cs1 ZINC000708273355 819768536 /nfs/dbraw/zinc/76/85/36/819768536.db2.gz BNDKFYPWQDIZCA-UHFFFAOYSA-N 1 2 288.398 0.432 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036701807 820049450 /nfs/dbraw/zinc/04/94/50/820049450.db2.gz CQSXCFNDUQUGIK-CHWSQXEVSA-N 1 2 287.367 0.789 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001080416252 820572475 /nfs/dbraw/zinc/57/24/75/820572475.db2.gz LFAAWRGANDXRHT-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001081561036 820788787 /nfs/dbraw/zinc/78/87/87/820788787.db2.gz WGCHHJGNSMYAER-ZYHUDNBSSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001081561036 820788792 /nfs/dbraw/zinc/78/87/92/820788792.db2.gz WGCHHJGNSMYAER-ZYHUDNBSSA-N 1 2 277.324 0.299 20 30 CCEDLO CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001081941666 820867648 /nfs/dbraw/zinc/86/76/48/820867648.db2.gz VAXFSEVLNZRCPD-DGCLKSJQSA-N 1 2 299.334 0.287 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@H](OC)C1 ZINC001082337570 820942636 /nfs/dbraw/zinc/94/26/36/820942636.db2.gz XZSUTIWXPJREIP-PSASIEDQSA-N 1 2 285.731 0.943 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@H](OC)C1 ZINC001082337570 820942639 /nfs/dbraw/zinc/94/26/39/820942639.db2.gz XZSUTIWXPJREIP-PSASIEDQSA-N 1 2 285.731 0.943 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1NCC#N ZINC001082601180 821004863 /nfs/dbraw/zinc/00/48/63/821004863.db2.gz ONLLQMJDOSQRNQ-MBNYWOFBSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccn3)[C@H]2C1 ZINC001082978106 821084754 /nfs/dbraw/zinc/08/47/54/821084754.db2.gz RALUJSFVJXNPEE-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccn3)[C@H]2C1 ZINC001082978106 821084762 /nfs/dbraw/zinc/08/47/62/821084762.db2.gz RALUJSFVJXNPEE-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)[nH]n3)[C@H]2C1 ZINC001083014463 821107426 /nfs/dbraw/zinc/10/74/26/821107426.db2.gz HAIVUPIUMVGFON-QWHCGFSZSA-N 1 2 276.340 0.429 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)[nH]n3)[C@H]2C1 ZINC001083014463 821107428 /nfs/dbraw/zinc/10/74/28/821107428.db2.gz HAIVUPIUMVGFON-QWHCGFSZSA-N 1 2 276.340 0.429 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncs3)[C@H]2C1 ZINC001083015289 821107447 /nfs/dbraw/zinc/10/74/47/821107447.db2.gz MXFQDUVCWBRNRY-WDEREUQCSA-N 1 2 279.365 0.854 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncs3)[C@H]2C1 ZINC001083015289 821107455 /nfs/dbraw/zinc/10/74/55/821107455.db2.gz MXFQDUVCWBRNRY-WDEREUQCSA-N 1 2 279.365 0.854 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C)[nH]3)[C@H]2C1 ZINC001083025414 821114600 /nfs/dbraw/zinc/11/46/00/821114600.db2.gz IOCUAJKIHHKQBN-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C)[nH]3)[C@H]2C1 ZINC001083025414 821114602 /nfs/dbraw/zinc/11/46/02/821114602.db2.gz IOCUAJKIHHKQBN-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC)[C@H]2C1 ZINC001083005717 821119271 /nfs/dbraw/zinc/11/92/71/821119271.db2.gz IMFHAYYBORAPJI-RWMBFGLXSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC)[C@H]2C1 ZINC001083005717 821119281 /nfs/dbraw/zinc/11/92/81/821119281.db2.gz IMFHAYYBORAPJI-RWMBFGLXSA-N 1 2 250.342 0.577 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001084907235 821428237 /nfs/dbraw/zinc/42/82/37/821428237.db2.gz ZNRKTVASBDHLSW-LOWVWBTDSA-N 1 2 289.339 0.652 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001084907235 821428240 /nfs/dbraw/zinc/42/82/40/821428240.db2.gz ZNRKTVASBDHLSW-LOWVWBTDSA-N 1 2 289.339 0.652 20 30 CCEDLO Cc1cc(N[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001098307116 821670100 /nfs/dbraw/zinc/67/01/00/821670100.db2.gz UINPCSWFWZFYBF-NSHDSACASA-N 1 2 298.350 0.566 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C ZINC001085519013 821764545 /nfs/dbraw/zinc/76/45/45/821764545.db2.gz GMRLCPHVLQVRJS-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C ZINC001085519013 821764555 /nfs/dbraw/zinc/76/45/55/821764555.db2.gz GMRLCPHVLQVRJS-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccn1CC ZINC001085570452 821807201 /nfs/dbraw/zinc/80/72/01/821807201.db2.gz JDGMOENPCNKYDW-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccn1CC ZINC001085570452 821807208 /nfs/dbraw/zinc/80/72/08/821807208.db2.gz JDGMOENPCNKYDW-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001085586317 821826113 /nfs/dbraw/zinc/82/61/13/821826113.db2.gz RVMSULHKMCKRJR-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001085586317 821826120 /nfs/dbraw/zinc/82/61/20/821826120.db2.gz RVMSULHKMCKRJR-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CC ZINC001085689605 821902208 /nfs/dbraw/zinc/90/22/08/821902208.db2.gz KGZAOOFUEPZZIW-LLVKDONJSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CC ZINC001085689605 821902214 /nfs/dbraw/zinc/90/22/14/821902214.db2.gz KGZAOOFUEPZZIW-LLVKDONJSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085726593 821918563 /nfs/dbraw/zinc/91/85/63/821918563.db2.gz CACQCJXEUGKLAR-GFCCVEGCSA-N 1 2 298.350 0.143 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085726593 821918570 /nfs/dbraw/zinc/91/85/70/821918570.db2.gz CACQCJXEUGKLAR-GFCCVEGCSA-N 1 2 298.350 0.143 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085729653 821921700 /nfs/dbraw/zinc/92/17/00/821921700.db2.gz CYUAPTZRHPQUEG-LJISPDSOSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085729653 821921707 /nfs/dbraw/zinc/92/17/07/821921707.db2.gz CYUAPTZRHPQUEG-LJISPDSOSA-N 1 2 276.380 0.967 20 30 CCEDLO Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114066892 837420568 /nfs/dbraw/zinc/42/05/68/837420568.db2.gz JRARNRNEZGHKFH-MVVXRAEJSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114066892 837420572 /nfs/dbraw/zinc/42/05/72/837420572.db2.gz JRARNRNEZGHKFH-MVVXRAEJSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255430 837489227 /nfs/dbraw/zinc/48/92/27/837489227.db2.gz IQLVNJUNYJXEPF-VIKVFOODSA-N 1 2 285.347 0.943 20 30 CCEDLO Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255430 837489230 /nfs/dbraw/zinc/48/92/30/837489230.db2.gz IQLVNJUNYJXEPF-VIKVFOODSA-N 1 2 285.347 0.943 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C=CN=C3N=CC=C32)CC1 ZINC001183587458 844048678 /nfs/dbraw/zinc/04/86/78/844048678.db2.gz GIYLNCCBYNHAHU-ZDUSSCGKSA-N 1 2 270.336 0.869 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001108433044 836092479 /nfs/dbraw/zinc/09/24/79/836092479.db2.gz WPDCRNWFXYSPDH-ZFWWWQNUSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108433044 836092487 /nfs/dbraw/zinc/09/24/87/836092487.db2.gz WPDCRNWFXYSPDH-ZFWWWQNUSA-N 1 2 282.384 0.971 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(OC)ccc2C#N)C[NH2+]1 ZINC001169137071 836150857 /nfs/dbraw/zinc/15/08/57/836150857.db2.gz TYTPREMIQGZDEV-ZJUUUORDSA-N 1 2 276.296 0.277 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001108455992 836201381 /nfs/dbraw/zinc/20/13/81/836201381.db2.gz IUMZTDRMAFYPKL-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO Cc1[nH]c2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2c1C ZINC001156320089 836280762 /nfs/dbraw/zinc/28/07/62/836280762.db2.gz QGYZPMHIIRNQES-JTQLQIEISA-N 1 2 256.313 0.877 20 30 CCEDLO CC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108944043 836581757 /nfs/dbraw/zinc/58/17/57/836581757.db2.gz JRAPHGYYKDXASJ-RNJOBUHISA-N 1 2 292.383 0.394 20 30 CCEDLO CC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108944043 836581766 /nfs/dbraw/zinc/58/17/66/836581766.db2.gz JRAPHGYYKDXASJ-RNJOBUHISA-N 1 2 292.383 0.394 20 30 CCEDLO C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056805 836610200 /nfs/dbraw/zinc/61/02/00/836610200.db2.gz HDTFKAAKBLISGB-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109265729 836649441 /nfs/dbraw/zinc/64/94/41/836649441.db2.gz VWFWUUPJHLHBGC-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109657612 836710236 /nfs/dbraw/zinc/71/02/36/836710236.db2.gz XJOHQUACEALGCE-WOPDTQHZSA-N 1 2 265.357 0.550 20 30 CCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109657612 836710247 /nfs/dbraw/zinc/71/02/47/836710247.db2.gz XJOHQUACEALGCE-WOPDTQHZSA-N 1 2 265.357 0.550 20 30 CCEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113081296 837017451 /nfs/dbraw/zinc/01/74/51/837017451.db2.gz ASDFQKJITDOJNI-MNOVXSKESA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ccnc(C#N)n1 ZINC001113154891 837039811 /nfs/dbraw/zinc/03/98/11/837039811.db2.gz JMCANJOFAGMIDY-NXEZZACHSA-N 1 2 299.338 0.041 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC001113166559 837042441 /nfs/dbraw/zinc/04/24/41/837042441.db2.gz OVIOFCXAXYBDCZ-UHFFFAOYSA-N 1 2 282.369 0.499 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001113363058 837104480 /nfs/dbraw/zinc/10/44/80/837104480.db2.gz IOXZDHCWKUXTLN-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCCC(=O)NC)CC1 ZINC001113706404 837199813 /nfs/dbraw/zinc/19/98/13/837199813.db2.gz FLVMIWUJBUGXHX-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC001113734458 837210239 /nfs/dbraw/zinc/21/02/39/837210239.db2.gz LJYDZPIQLFILMO-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131743169 838199830 /nfs/dbraw/zinc/19/98/30/838199830.db2.gz LBYCWVGDDGJTLF-NWDGAFQWSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131743169 838199825 /nfs/dbraw/zinc/19/98/25/838199825.db2.gz LBYCWVGDDGJTLF-NWDGAFQWSA-N 1 2 280.372 0.395 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131950279 838275803 /nfs/dbraw/zinc/27/58/03/838275803.db2.gz JXDLZYWDAFRCCA-FZXKYSEESA-N 1 2 292.383 0.561 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131950279 838275809 /nfs/dbraw/zinc/27/58/09/838275809.db2.gz JXDLZYWDAFRCCA-FZXKYSEESA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001133154038 838562418 /nfs/dbraw/zinc/56/24/18/838562418.db2.gz AEMYHYPGOAGWIC-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO CCOC(=O)Cc1cc[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001160178522 839701745 /nfs/dbraw/zinc/70/17/45/839701745.db2.gz JQZYFWZBZMNWQJ-ZANVPECISA-N 1 2 293.323 0.835 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC)C2 ZINC001110392286 844684161 /nfs/dbraw/zinc/68/41/61/844684161.db2.gz HGFBPPLZAPPUHF-UTUOFQBUSA-N 1 2 299.802 0.987 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001149143562 839868341 /nfs/dbraw/zinc/86/83/41/839868341.db2.gz JKLXGJRRFSYQJD-AWEZNQCLSA-N 1 2 280.368 0.586 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001149143562 839868345 /nfs/dbraw/zinc/86/83/45/839868345.db2.gz JKLXGJRRFSYQJD-AWEZNQCLSA-N 1 2 280.368 0.586 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)NCCOc1cc[nH+]cc1 ZINC001144415666 840040184 /nfs/dbraw/zinc/04/01/84/840040184.db2.gz VBTHFSRWYHMZDS-NSHDSACASA-N 1 2 283.353 0.011 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001146891161 840406172 /nfs/dbraw/zinc/40/61/72/840406172.db2.gz QIUDFQLNHXLZEM-STQMWFEESA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001146891161 840406176 /nfs/dbraw/zinc/40/61/76/840406176.db2.gz QIUDFQLNHXLZEM-STQMWFEESA-N 1 2 298.383 0.721 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001091724893 840825988 /nfs/dbraw/zinc/82/59/88/840825988.db2.gz UNKLITDCSIZKHU-DOMZBBRYSA-N 1 2 287.367 0.646 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001091724893 840825993 /nfs/dbraw/zinc/82/59/93/840825993.db2.gz UNKLITDCSIZKHU-DOMZBBRYSA-N 1 2 287.367 0.646 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001186644660 844584498 /nfs/dbraw/zinc/58/44/98/844584498.db2.gz KLNDGALUXHIPNL-NWDGAFQWSA-N 1 2 295.358 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001186644660 844584505 /nfs/dbraw/zinc/58/45/05/844584505.db2.gz KLNDGALUXHIPNL-NWDGAFQWSA-N 1 2 295.358 0.017 20 30 CCEDLO C#CCN1CC2(C[NH+](CC(C)(C)C(=O)CC)C2)OCC1=O ZINC001273452082 840928866 /nfs/dbraw/zinc/92/88/66/840928866.db2.gz KESAELXYOMFHNQ-UHFFFAOYSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744462 841221924 /nfs/dbraw/zinc/22/19/24/841221924.db2.gz ABRBOSDVJYUZNA-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744462 841221931 /nfs/dbraw/zinc/22/19/31/841221931.db2.gz ABRBOSDVJYUZNA-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830660 841337378 /nfs/dbraw/zinc/33/73/78/841337378.db2.gz YVPJFHNMAWNDQW-DGCLKSJQSA-N 1 2 273.340 0.399 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094130873 841543315 /nfs/dbraw/zinc/54/33/15/841543315.db2.gz ZMHMAOPNHZGOHD-NEPJUHHUSA-N 1 2 276.340 0.904 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CCN2CC#N)C1 ZINC001036879293 841641364 /nfs/dbraw/zinc/64/13/64/841641364.db2.gz KUQRHFOAPWBGOR-OCCSQVGLSA-N 1 2 287.367 0.707 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036907431 841682654 /nfs/dbraw/zinc/68/26/54/841682654.db2.gz WSWGBSMZCYEYGR-CHWSQXEVSA-N 1 2 273.340 0.329 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001094855711 841779396 /nfs/dbraw/zinc/77/93/96/841779396.db2.gz FEWXRRBWSQQYPJ-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001094855711 841779402 /nfs/dbraw/zinc/77/94/02/841779402.db2.gz FEWXRRBWSQQYPJ-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO Cc1ccc(C(=NC(=O)CCn2cc[nH+]c2)NO)nc1 ZINC001176883938 842442097 /nfs/dbraw/zinc/44/20/97/842442097.db2.gz RRGQQGJNNZMJER-UHFFFAOYSA-N 1 2 273.296 0.929 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCC=C)C[C@H]21 ZINC001176949694 842466814 /nfs/dbraw/zinc/46/68/14/842466814.db2.gz RHFRDODTHKHBEU-CABCVRRESA-N 1 2 292.379 0.514 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC=C)C[C@H]21 ZINC001176949694 842466818 /nfs/dbraw/zinc/46/68/18/842466818.db2.gz RHFRDODTHKHBEU-CABCVRRESA-N 1 2 292.379 0.514 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C#Cc2cccnc2)CC1 ZINC001177773858 842661017 /nfs/dbraw/zinc/66/10/17/842661017.db2.gz NLWRFULQYPHVLJ-UHFFFAOYSA-N 1 2 273.336 0.224 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276380 843134877 /nfs/dbraw/zinc/13/48/77/843134877.db2.gz QQLLGQFWYXQSGE-STQMWFEESA-N 1 2 275.356 0.766 20 30 CCEDLO C=CCSCC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001180561452 843209577 /nfs/dbraw/zinc/20/95/77/843209577.db2.gz LDAJFYXHOBUOFR-NSHDSACASA-N 1 2 297.380 0.540 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@H](C)[NH+]1CCCC1 ZINC001180583470 843218349 /nfs/dbraw/zinc/21/83/49/843218349.db2.gz ZGRQAQNUCOPNTN-VIFPVBQESA-N 1 2 291.311 0.792 20 30 CCEDLO COCCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273475070 843822979 /nfs/dbraw/zinc/82/29/79/843822979.db2.gz SRHRRWOZKSQGGB-UHFFFAOYSA-N 1 2 281.356 0.240 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC)C2 ZINC001110392286 844684153 /nfs/dbraw/zinc/68/41/53/844684153.db2.gz HGFBPPLZAPPUHF-UTUOFQBUSA-N 1 2 299.802 0.987 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001273538538 844693832 /nfs/dbraw/zinc/69/38/32/844693832.db2.gz XPSYHKFGLLOCEX-UHFFFAOYSA-N 1 2 290.285 0.875 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001110394745 844734953 /nfs/dbraw/zinc/73/49/53/844734953.db2.gz KMWWVYDIYWJMFL-UNJBNNCHSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001110394745 844734958 /nfs/dbraw/zinc/73/49/58/844734958.db2.gz KMWWVYDIYWJMFL-UNJBNNCHSA-N 1 2 287.367 0.801 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189281157 845093913 /nfs/dbraw/zinc/09/39/13/845093913.db2.gz YSZVYPDSHHWXNY-LBPRGKRZSA-N 1 2 277.372 0.814 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189281157 845093919 /nfs/dbraw/zinc/09/39/19/845093919.db2.gz YSZVYPDSHHWXNY-LBPRGKRZSA-N 1 2 277.372 0.814 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131989 845998141 /nfs/dbraw/zinc/99/81/41/845998141.db2.gz WPCSRHOKKXIHAW-IWSPIJDZSA-N 1 2 282.237 0.071 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131989 845998149 /nfs/dbraw/zinc/99/81/49/845998149.db2.gz WPCSRHOKKXIHAW-IWSPIJDZSA-N 1 2 282.237 0.071 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc(C)no2)CC1 ZINC001194819403 846399549 /nfs/dbraw/zinc/39/95/49/846399549.db2.gz KKZCOCXGXURFMU-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc(C)no2)CC1 ZINC001194819403 846399564 /nfs/dbraw/zinc/39/95/64/846399564.db2.gz KKZCOCXGXURFMU-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195126877 846466612 /nfs/dbraw/zinc/46/66/12/846466612.db2.gz ZCCIIYSCLUQMOU-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195126877 846466619 /nfs/dbraw/zinc/46/66/19/846466619.db2.gz ZCCIIYSCLUQMOU-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195566944 846583676 /nfs/dbraw/zinc/58/36/76/846583676.db2.gz FSWBTDLFFNIQJM-RRFJBIMHSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195566944 846583683 /nfs/dbraw/zinc/58/36/83/846583683.db2.gz FSWBTDLFFNIQJM-RRFJBIMHSA-N 1 2 294.395 0.400 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001195774961 846622041 /nfs/dbraw/zinc/62/20/41/846622041.db2.gz KFHOLSYIUNRBOF-UHFFFAOYSA-N 1 2 279.384 0.268 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001195774961 846622044 /nfs/dbraw/zinc/62/20/44/846622044.db2.gz KFHOLSYIUNRBOF-UHFFFAOYSA-N 1 2 279.384 0.268 20 30 CCEDLO CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042120 846829571 /nfs/dbraw/zinc/82/95/71/846829571.db2.gz SYCARMRSMDYSES-VXGBXAGGSA-N 1 2 295.387 0.550 20 30 CCEDLO CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197042120 846829578 /nfs/dbraw/zinc/82/95/78/846829578.db2.gz SYCARMRSMDYSES-VXGBXAGGSA-N 1 2 295.387 0.550 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nn2CCOC)CC1 ZINC001198089977 847040189 /nfs/dbraw/zinc/04/01/89/847040189.db2.gz SBPDCFDGRNIDBF-UHFFFAOYSA-N 1 2 292.383 0.782 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001198889693 847194437 /nfs/dbraw/zinc/19/44/37/847194437.db2.gz XDCNETABBVKBNC-FVQBIDKESA-N 1 2 286.375 0.660 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001198889693 847194447 /nfs/dbraw/zinc/19/44/47/847194447.db2.gz XDCNETABBVKBNC-FVQBIDKESA-N 1 2 286.375 0.660 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(OCc2ccccc2)C1 ZINC001251847911 847196532 /nfs/dbraw/zinc/19/65/32/847196532.db2.gz PECGSGPIANGFKT-OAHLLOKOSA-N 1 2 275.348 0.898 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110534084 847344549 /nfs/dbraw/zinc/34/45/49/847344549.db2.gz PTXDGXRKAYCNNL-MCIONIFRSA-N 1 2 291.395 0.503 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110534084 847344559 /nfs/dbraw/zinc/34/45/59/847344559.db2.gz PTXDGXRKAYCNNL-MCIONIFRSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nncn1C ZINC001273822534 847606434 /nfs/dbraw/zinc/60/64/34/847606434.db2.gz PTSGYWBDHZOLES-VXGBXAGGSA-N 1 2 273.340 0.014 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nncn1C ZINC001273822534 847606436 /nfs/dbraw/zinc/60/64/36/847606436.db2.gz PTSGYWBDHZOLES-VXGBXAGGSA-N 1 2 273.340 0.014 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N)s1 ZINC001273909542 847820558 /nfs/dbraw/zinc/82/05/58/847820558.db2.gz HVQKPIZQJAFCQD-CDAZIORVSA-N 1 2 279.369 0.768 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001153161126 847939322 /nfs/dbraw/zinc/93/93/22/847939322.db2.gz XAGWWMFAMMHKLW-WDEREUQCSA-N 1 2 296.371 0.990 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001274018317 848305711 /nfs/dbraw/zinc/30/57/11/848305711.db2.gz ZVOSTRIWYSCCOI-MUBLQREKSA-N 1 2 288.351 0.277 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnco1)C2 ZINC001110871182 848418961 /nfs/dbraw/zinc/41/89/61/848418961.db2.gz VMCAUJFHTUBIGW-UPJWGTAASA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnco1)C2 ZINC001110871182 848418966 /nfs/dbraw/zinc/41/89/66/848418966.db2.gz VMCAUJFHTUBIGW-UPJWGTAASA-N 1 2 289.335 0.660 20 30 CCEDLO N#CCNC/C=C\CNC(=O)CCCn1cc[nH+]c1 ZINC001274631968 848526635 /nfs/dbraw/zinc/52/66/35/848526635.db2.gz NRXPBRDPUATEDF-UPHRSURJSA-N 1 2 261.329 0.449 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110894847 849015301 /nfs/dbraw/zinc/01/53/01/849015301.db2.gz HPMDFEVSMVVOJW-KSTCHIGDSA-N 1 2 289.379 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110894847 849015307 /nfs/dbraw/zinc/01/53/07/849015307.db2.gz HPMDFEVSMVVOJW-KSTCHIGDSA-N 1 2 289.379 0.113 20 30 CCEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001110987835 849037894 /nfs/dbraw/zinc/03/78/94/849037894.db2.gz HPOQFFAFUTXEEQ-UPJWGTAASA-N 1 2 291.395 0.940 20 30 CCEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001110987835 849037904 /nfs/dbraw/zinc/03/79/04/849037904.db2.gz HPOQFFAFUTXEEQ-UPJWGTAASA-N 1 2 291.395 0.940 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnon1)C2 ZINC001111170503 849085452 /nfs/dbraw/zinc/08/54/52/849085452.db2.gz QUODHTSEKXFVJN-WZRBSPASSA-N 1 2 290.323 0.055 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnon1)C2 ZINC001111170503 849085463 /nfs/dbraw/zinc/08/54/63/849085463.db2.gz QUODHTSEKXFVJN-WZRBSPASSA-N 1 2 290.323 0.055 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038649051 849243713 /nfs/dbraw/zinc/24/37/13/849243713.db2.gz XVXWMDNDSBVVQK-QWRGUYRKSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038649051 849243720 /nfs/dbraw/zinc/24/37/20/849243720.db2.gz XVXWMDNDSBVVQK-QWRGUYRKSA-N 1 2 273.340 0.048 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001038028442 849646264 /nfs/dbraw/zinc/64/62/64/849646264.db2.gz OXUKSUGDBVZEHI-LLVKDONJSA-N 1 2 250.298 0.088 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001038028442 849646277 /nfs/dbraw/zinc/64/62/77/849646277.db2.gz OXUKSUGDBVZEHI-LLVKDONJSA-N 1 2 250.298 0.088 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001038629886 849729360 /nfs/dbraw/zinc/72/93/60/849729360.db2.gz KEKXREWJYDGGTD-TZMCWYRMSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001038629886 849729366 /nfs/dbraw/zinc/72/93/66/849729366.db2.gz KEKXREWJYDGGTD-TZMCWYRMSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC001038214451 849818857 /nfs/dbraw/zinc/81/88/57/849818857.db2.gz BCWXBWWRRLTYOP-CPCZMJQVSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC001038214451 849818863 /nfs/dbraw/zinc/81/88/63/849818863.db2.gz BCWXBWWRRLTYOP-CPCZMJQVSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnnn1CC ZINC001038228637 849824208 /nfs/dbraw/zinc/82/42/08/849824208.db2.gz FMCQDIGASPRZDO-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnn1CC ZINC001038228637 849824214 /nfs/dbraw/zinc/82/42/14/849824214.db2.gz FMCQDIGASPRZDO-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038245935 849829373 /nfs/dbraw/zinc/82/93/73/849829373.db2.gz MCSDJUMEPOZDID-VXGBXAGGSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038245935 849829375 /nfs/dbraw/zinc/82/93/75/849829375.db2.gz MCSDJUMEPOZDID-VXGBXAGGSA-N 1 2 272.352 0.653 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ncn1 ZINC001038251570 849831205 /nfs/dbraw/zinc/83/12/05/849831205.db2.gz HDLJQGHERPWDOX-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ncn1 ZINC001038251570 849831209 /nfs/dbraw/zinc/83/12/09/849831209.db2.gz HDLJQGHERPWDOX-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038299658 849841750 /nfs/dbraw/zinc/84/17/50/849841750.db2.gz FFPDTDBBVJEICS-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038299658 849841754 /nfs/dbraw/zinc/84/17/54/849841754.db2.gz FFPDTDBBVJEICS-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038310346 849846218 /nfs/dbraw/zinc/84/62/18/849846218.db2.gz HZRNQRDXQSWDJL-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038310346 849846221 /nfs/dbraw/zinc/84/62/21/849846221.db2.gz HZRNQRDXQSWDJL-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001038344996 849861195 /nfs/dbraw/zinc/86/11/95/849861195.db2.gz LNLHAJZBHFHIDQ-DOMZBBRYSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001038344996 849861203 /nfs/dbraw/zinc/86/12/03/849861203.db2.gz LNLHAJZBHFHIDQ-DOMZBBRYSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038359082 849862876 /nfs/dbraw/zinc/86/28/76/849862876.db2.gz IDUJNKIEXNKRLL-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038359082 849862867 /nfs/dbraw/zinc/86/28/67/849862867.db2.gz IDUJNKIEXNKRLL-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038416964 849887594 /nfs/dbraw/zinc/88/75/94/849887594.db2.gz GUVUABXKFSVOBY-ZDUSSCGKSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001038416964 849887596 /nfs/dbraw/zinc/88/75/96/849887596.db2.gz GUVUABXKFSVOBY-ZDUSSCGKSA-N 1 2 271.320 0.223 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038423882 849889680 /nfs/dbraw/zinc/88/96/80/849889680.db2.gz GWVFTBYVFPRUNU-WCQYABFASA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038451098 849906590 /nfs/dbraw/zinc/90/65/90/849906590.db2.gz PZDUKVOURBQAJC-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038451098 849906591 /nfs/dbraw/zinc/90/65/91/849906591.db2.gz PZDUKVOURBQAJC-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576681 849947327 /nfs/dbraw/zinc/94/73/27/849947327.db2.gz WGHCTBBPLOARSH-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576681 849947332 /nfs/dbraw/zinc/94/73/32/849947332.db2.gz WGHCTBBPLOARSH-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038720084 849995362 /nfs/dbraw/zinc/99/53/62/849995362.db2.gz KNEDQXAOWIELSV-JHJVBQTASA-N 1 2 272.352 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038720084 849995364 /nfs/dbraw/zinc/99/53/64/849995364.db2.gz KNEDQXAOWIELSV-JHJVBQTASA-N 1 2 272.352 0.347 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001038780326 850015108 /nfs/dbraw/zinc/01/51/08/850015108.db2.gz YCLHSLACGIVYHF-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001038780326 850015114 /nfs/dbraw/zinc/01/51/14/850015114.db2.gz YCLHSLACGIVYHF-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038846141 850046193 /nfs/dbraw/zinc/04/61/93/850046193.db2.gz PBYYJVRJAKDTKK-JTQLQIEISA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038846141 850046201 /nfs/dbraw/zinc/04/62/01/850046201.db2.gz PBYYJVRJAKDTKK-JTQLQIEISA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038968041 850105930 /nfs/dbraw/zinc/10/59/30/850105930.db2.gz HJQGUCYGZSRPRS-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001038968041 850105934 /nfs/dbraw/zinc/10/59/34/850105934.db2.gz HJQGUCYGZSRPRS-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001038976043 850108366 /nfs/dbraw/zinc/10/83/66/850108366.db2.gz MFPRKQPKYYOUPX-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001038976043 850108373 /nfs/dbraw/zinc/10/83/73/850108373.db2.gz MFPRKQPKYYOUPX-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039029854 850130797 /nfs/dbraw/zinc/13/07/97/850130797.db2.gz PZKYLAWIHCHLNS-HNNXBMFYSA-N 1 2 299.374 0.874 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039029854 850130804 /nfs/dbraw/zinc/13/08/04/850130804.db2.gz PZKYLAWIHCHLNS-HNNXBMFYSA-N 1 2 299.374 0.874 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001041375345 850438902 /nfs/dbraw/zinc/43/89/02/850438902.db2.gz MXPWGTVDAIGTBS-XJKCOSOUSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001041375345 850438907 /nfs/dbraw/zinc/43/89/07/850438907.db2.gz MXPWGTVDAIGTBS-XJKCOSOUSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246465 850603288 /nfs/dbraw/zinc/60/32/88/850603288.db2.gz FMRBZVVWLDQSKB-YPMHNXCESA-N 1 2 273.340 0.399 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001042766299 850757662 /nfs/dbraw/zinc/75/76/62/850757662.db2.gz UPTQIORWQHDELZ-UHFFFAOYSA-N 1 2 297.358 0.961 20 30 CCEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(CC#N)C1 ZINC001043091909 850811912 /nfs/dbraw/zinc/81/19/12/850811912.db2.gz OBKPJJGGADZBGH-UHFFFAOYSA-N 1 2 269.308 0.843 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001043186535 850828368 /nfs/dbraw/zinc/82/83/68/850828368.db2.gz QHLCUXBEKFMHSH-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)o2)C1 ZINC001043288231 850846958 /nfs/dbraw/zinc/84/69/58/850846958.db2.gz CQQQSVDDBBMHJU-UHFFFAOYSA-N 1 2 275.308 0.158 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001043453203 850873651 /nfs/dbraw/zinc/87/36/51/850873651.db2.gz JWLUTAKOTRZIJC-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001043453203 850873654 /nfs/dbraw/zinc/87/36/54/850873654.db2.gz JWLUTAKOTRZIJC-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001043509484 850888081 /nfs/dbraw/zinc/88/80/81/850888081.db2.gz FBQGIWGMZKIHAU-LLVKDONJSA-N 1 2 265.357 0.326 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]cc2F)C1 ZINC001043771404 850934943 /nfs/dbraw/zinc/93/49/43/850934943.db2.gz HTGZTKZZOXGRGC-UHFFFAOYSA-N 1 2 250.277 0.328 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cn(C)nc2Cl)C1 ZINC001043869588 850954203 /nfs/dbraw/zinc/95/42/03/850954203.db2.gz LTAGCBHGAAIUKF-UHFFFAOYSA-N 1 2 282.775 0.945 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)nn2)C1 ZINC001044140012 851019633 /nfs/dbraw/zinc/01/96/33/851019633.db2.gz UVPPGDAGNFNOGD-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001044177927 851032435 /nfs/dbraw/zinc/03/24/35/851032435.db2.gz YADIRTLNPNVYKV-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001044178251 851033295 /nfs/dbraw/zinc/03/32/95/851033295.db2.gz IUBXEGHDMSNUEE-LLVKDONJSA-N 1 2 287.367 0.076 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@@H](C)COC)C2)cn1 ZINC001044203759 851041741 /nfs/dbraw/zinc/04/17/41/851041741.db2.gz MLGPBYSOMHVEPK-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001044286184 851062101 /nfs/dbraw/zinc/06/21/01/851062101.db2.gz LMUCGTOUWWJNNC-UHFFFAOYSA-N 1 2 262.357 0.898 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)c2[nH]ncc2F)CC1 ZINC001045545480 851278249 /nfs/dbraw/zinc/27/82/49/851278249.db2.gz ZCNIVXUTIBBBEQ-UHFFFAOYSA-N 1 2 264.304 0.766 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001045991591 851339405 /nfs/dbraw/zinc/33/94/05/851339405.db2.gz BNFZZAIJGUQSBH-CQSZACIVSA-N 1 2 276.384 0.529 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001045995023 851343413 /nfs/dbraw/zinc/34/34/13/851343413.db2.gz JDDYLMMFKQFJIK-HNNXBMFYSA-N 1 2 299.378 0.437 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001047405728 851752997 /nfs/dbraw/zinc/75/29/97/851752997.db2.gz RSLYBQPPLASMDD-UWVGGRQHSA-N 1 2 296.758 0.122 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001047405728 851753000 /nfs/dbraw/zinc/75/30/00/851753000.db2.gz RSLYBQPPLASMDD-UWVGGRQHSA-N 1 2 296.758 0.122 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2CC)C1 ZINC001047438104 851764502 /nfs/dbraw/zinc/76/45/02/851764502.db2.gz KJOZGKUSBQTKHO-KBPBESRZSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2CC)C1 ZINC001047438104 851764508 /nfs/dbraw/zinc/76/45/08/851764508.db2.gz KJOZGKUSBQTKHO-KBPBESRZSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2CC)C1 ZINC001047434755 851765019 /nfs/dbraw/zinc/76/50/19/851765019.db2.gz ZIQKEWNEYHQSBG-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2CC)C1 ZINC001047434755 851765024 /nfs/dbraw/zinc/76/50/24/851765024.db2.gz ZIQKEWNEYHQSBG-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001047499857 851792035 /nfs/dbraw/zinc/79/20/35/851792035.db2.gz UUJLKBKIMKAODJ-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001047499857 851792037 /nfs/dbraw/zinc/79/20/37/851792037.db2.gz UUJLKBKIMKAODJ-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001047576246 851823216 /nfs/dbraw/zinc/82/32/16/851823216.db2.gz ZUDFXJLITOFTHD-QWRGUYRKSA-N 1 2 279.365 0.284 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001047576246 851823223 /nfs/dbraw/zinc/82/32/23/851823223.db2.gz ZUDFXJLITOFTHD-QWRGUYRKSA-N 1 2 279.365 0.284 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359938 851954552 /nfs/dbraw/zinc/95/45/52/851954552.db2.gz JHLLZCQSXFEPRF-SWLSCSKDSA-N 1 2 290.367 0.807 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001096548386 852305468 /nfs/dbraw/zinc/30/54/68/852305468.db2.gz ATZUBUCGHDVPFN-ILXRZTDVSA-N 1 2 286.379 0.936 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2 ZINC001096548386 852305471 /nfs/dbraw/zinc/30/54/71/852305471.db2.gz ATZUBUCGHDVPFN-ILXRZTDVSA-N 1 2 286.379 0.936 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097719441 852589040 /nfs/dbraw/zinc/58/90/40/852589040.db2.gz MWELOTMDWVHCLM-SNVBAGLBSA-N 1 2 264.329 0.904 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001097793381 852616493 /nfs/dbraw/zinc/61/64/93/852616493.db2.gz ZAYMMWPLSCGNID-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053245592 852718917 /nfs/dbraw/zinc/71/89/17/852718917.db2.gz XHSGJKZAYDCQJY-UHFFFAOYSA-N 1 2 262.353 0.723 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCOC1)CCO2 ZINC001053485973 852748364 /nfs/dbraw/zinc/74/83/64/852748364.db2.gz QQDCLVVIMWCJHT-OAHLLOKOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)n[nH]1)CO2 ZINC001053744189 852799369 /nfs/dbraw/zinc/79/93/69/852799369.db2.gz HUTPTQSGLQJRPG-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001053916835 852845085 /nfs/dbraw/zinc/84/50/85/852845085.db2.gz SSVRVBFBBBFOGI-CYBMUJFWSA-N 1 2 294.395 0.685 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001097921916 852861068 /nfs/dbraw/zinc/86/10/68/852861068.db2.gz MYZGMLCVRMYWTD-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205372 852893960 /nfs/dbraw/zinc/89/39/60/852893960.db2.gz PVLXFMQCPGUPDJ-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056790400 853215036 /nfs/dbraw/zinc/21/50/36/853215036.db2.gz BCZJYXZDNCEYSK-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001050825714 853449295 /nfs/dbraw/zinc/44/92/95/853449295.db2.gz URBQCSSWHNOPIZ-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001050825714 853449296 /nfs/dbraw/zinc/44/92/96/853449296.db2.gz URBQCSSWHNOPIZ-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cocn1 ZINC001050848682 853461484 /nfs/dbraw/zinc/46/14/84/853461484.db2.gz MXHGVKWPSUSCLD-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cocn1 ZINC001050848682 853461487 /nfs/dbraw/zinc/46/14/87/853461487.db2.gz MXHGVKWPSUSCLD-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050876445 853471563 /nfs/dbraw/zinc/47/15/63/853471563.db2.gz NARUNCUEWPVYJU-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050876445 853471567 /nfs/dbraw/zinc/47/15/67/853471567.db2.gz NARUNCUEWPVYJU-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001051071187 853518908 /nfs/dbraw/zinc/51/89/08/853518908.db2.gz NMEGPPNCEKJXCL-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001051071187 853518909 /nfs/dbraw/zinc/51/89/09/853518909.db2.gz NMEGPPNCEKJXCL-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001051102353 853525607 /nfs/dbraw/zinc/52/56/07/853525607.db2.gz KUDOCUFLTBWQEL-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001051102353 853525612 /nfs/dbraw/zinc/52/56/12/853525612.db2.gz KUDOCUFLTBWQEL-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001051123789 853529457 /nfs/dbraw/zinc/52/94/57/853529457.db2.gz GAJVLLJXUJDIMB-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001051123789 853529465 /nfs/dbraw/zinc/52/94/65/853529465.db2.gz GAJVLLJXUJDIMB-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051997376 853671953 /nfs/dbraw/zinc/67/19/53/853671953.db2.gz AXRJNRINQRLJIG-CABCVRRESA-N 1 2 288.395 0.388 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052008972 853675435 /nfs/dbraw/zinc/67/54/35/853675435.db2.gz KFHWWUSTSDKAAA-AGKVCYSUSA-N 1 2 275.396 0.804 20 30 CCEDLO C#CC[NH+](CC#C)Cc1ccnc(N2CCOCC2)c1 ZINC001137440956 853799222 /nfs/dbraw/zinc/79/92/22/853799222.db2.gz NFWADVVZRNFBSD-UHFFFAOYSA-N 1 2 269.348 0.987 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001276380986 853883925 /nfs/dbraw/zinc/88/39/25/853883925.db2.gz GXSJCYGXXXRFIY-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001069891164 853994286 /nfs/dbraw/zinc/99/42/86/853994286.db2.gz JSXNSMBOYSMEPZ-CABCVRRESA-N 1 2 295.346 0.567 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001069891164 853994292 /nfs/dbraw/zinc/99/42/92/853994292.db2.gz JSXNSMBOYSMEPZ-CABCVRRESA-N 1 2 295.346 0.567 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](n2ccnn2)C1 ZINC001069898838 853997086 /nfs/dbraw/zinc/99/70/86/853997086.db2.gz ARSZQWUSMTVWKM-NEPJUHHUSA-N 1 2 288.311 0.107 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccon2)[C@@H](n2ccnn2)C1 ZINC001069898838 853997089 /nfs/dbraw/zinc/99/70/89/853997089.db2.gz ARSZQWUSMTVWKM-NEPJUHHUSA-N 1 2 288.311 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@@H](n2ccnn2)C1 ZINC001070002019 854015120 /nfs/dbraw/zinc/01/51/20/854015120.db2.gz RLAMLRYWNGYQQP-IJEWVQPXSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@@H](n2ccnn2)C1 ZINC001070002019 854015125 /nfs/dbraw/zinc/01/51/25/854015125.db2.gz RLAMLRYWNGYQQP-IJEWVQPXSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](n2ccnn2)C1 ZINC001070094776 854025392 /nfs/dbraw/zinc/02/53/92/854025392.db2.gz CEMZMHFHDSEDDD-KGLIPLIRSA-N 1 2 298.350 0.203 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](n2ccnn2)C1 ZINC001070094776 854025396 /nfs/dbraw/zinc/02/53/96/854025396.db2.gz CEMZMHFHDSEDDD-KGLIPLIRSA-N 1 2 298.350 0.203 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccco2)C[C@H]1NCC#N ZINC001070614691 854080817 /nfs/dbraw/zinc/08/08/17/854080817.db2.gz NRRSZJUYCMRYGZ-VXGBXAGGSA-N 1 2 299.334 0.734 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NCC#N ZINC001070609662 854081690 /nfs/dbraw/zinc/08/16/90/854081690.db2.gz QZICBRJIZZIYTE-RKDXNWHRSA-N 1 2 283.282 0.093 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001071340153 854161563 /nfs/dbraw/zinc/16/15/63/854161563.db2.gz KQJCJYJKHWLXME-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001071340153 854161567 /nfs/dbraw/zinc/16/15/67/854161567.db2.gz KQJCJYJKHWLXME-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071803466 854297357 /nfs/dbraw/zinc/29/73/57/854297357.db2.gz MONNXZRISFBKKD-VXGBXAGGSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071803466 854297361 /nfs/dbraw/zinc/29/73/61/854297361.db2.gz MONNXZRISFBKKD-VXGBXAGGSA-N 1 2 290.367 0.732 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1CC#N ZINC001071934632 854322069 /nfs/dbraw/zinc/32/20/69/854322069.db2.gz POYDAGYYECPNSH-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)cn1 ZINC001074384212 854723299 /nfs/dbraw/zinc/72/32/99/854723299.db2.gz CQRZOUMNNZENMN-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)cn1 ZINC001074384212 854723301 /nfs/dbraw/zinc/72/33/01/854723301.db2.gz CQRZOUMNNZENMN-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO CC1(C)CC[C@H](CNC(=O)C#CC2CC2)[N@H+](CC(N)=O)C1 ZINC001099064278 854910171 /nfs/dbraw/zinc/91/01/71/854910171.db2.gz BDDJBQGIWIRTLH-CYBMUJFWSA-N 1 2 291.395 0.492 20 30 CCEDLO CC1(C)CC[C@H](CNC(=O)C#CC2CC2)[N@@H+](CC(N)=O)C1 ZINC001099064278 854910181 /nfs/dbraw/zinc/91/01/81/854910181.db2.gz BDDJBQGIWIRTLH-CYBMUJFWSA-N 1 2 291.395 0.492 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 ZINC001099743335 854983471 /nfs/dbraw/zinc/98/34/71/854983471.db2.gz HZACVGQALYQOFD-NWDGAFQWSA-N 1 2 280.368 0.176 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 ZINC001099743335 854983478 /nfs/dbraw/zinc/98/34/78/854983478.db2.gz HZACVGQALYQOFD-NWDGAFQWSA-N 1 2 280.368 0.176 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001103161538 855501685 /nfs/dbraw/zinc/50/16/85/855501685.db2.gz DRMOYSCDYFPWQD-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001116868634 855853354 /nfs/dbraw/zinc/85/33/54/855853354.db2.gz GMXDZGFNHXONNA-LLVKDONJSA-N 1 2 297.380 0.544 20 30 CCEDLO N#CC1(C[C@H](O)C[NH2+]Cc2ccn[nH]2)CCOCC1 ZINC001118896930 856482241 /nfs/dbraw/zinc/48/22/41/856482241.db2.gz HJXZAPWUIOAJGZ-LBPRGKRZSA-N 1 2 264.329 0.571 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001119287884 856613712 /nfs/dbraw/zinc/61/37/12/856613712.db2.gz TYTWPQHPIBBUMS-ZDUSSCGKSA-N 1 2 287.363 0.822 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC001119384167 856663152 /nfs/dbraw/zinc/66/31/52/856663152.db2.gz UQLDWHFHMZPWMC-RYUDHWBXSA-N 1 2 298.383 0.754 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](COC)OC)C1 ZINC001393114060 912405013 /nfs/dbraw/zinc/40/50/13/912405013.db2.gz LLEYGIOQEPLFIY-DGCLKSJQSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](COC)OC)C1 ZINC001393114060 912405022 /nfs/dbraw/zinc/40/50/22/912405022.db2.gz LLEYGIOQEPLFIY-DGCLKSJQSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001393274070 912485063 /nfs/dbraw/zinc/48/50/63/912485063.db2.gz DQVABIDOXFIRME-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001393274070 912485070 /nfs/dbraw/zinc/48/50/70/912485070.db2.gz DQVABIDOXFIRME-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COCCC=C)C1 ZINC001324030293 912636183 /nfs/dbraw/zinc/63/61/83/912636183.db2.gz ZBADYCVMIUKKQS-UHFFFAOYSA-N 1 2 250.342 0.745 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001325284127 913321491 /nfs/dbraw/zinc/32/14/91/913321491.db2.gz HIVKGQKKZNPXSM-LLVKDONJSA-N 1 2 297.380 0.163 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001325307933 913336433 /nfs/dbraw/zinc/33/64/33/913336433.db2.gz ISDLKYBLECBPHO-UHFFFAOYSA-N 1 2 263.341 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001480910041 891750576 /nfs/dbraw/zinc/75/05/76/891750576.db2.gz YHWBKKJRVWDKQS-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001480910041 891750583 /nfs/dbraw/zinc/75/05/83/891750583.db2.gz YHWBKKJRVWDKQS-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CCC)C1 ZINC001325818728 913592104 /nfs/dbraw/zinc/59/21/04/913592104.db2.gz RCHSQCSFQAJDFW-HNNXBMFYSA-N 1 2 297.399 0.032 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CCC)C1 ZINC001325818728 913592118 /nfs/dbraw/zinc/59/21/18/913592118.db2.gz RCHSQCSFQAJDFW-HNNXBMFYSA-N 1 2 297.399 0.032 20 30 CCEDLO C=CCCCC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001481273592 892477759 /nfs/dbraw/zinc/47/77/59/892477759.db2.gz XYHIRIAEBAZPHX-UHFFFAOYSA-N 1 2 281.360 0.013 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001481380914 892605181 /nfs/dbraw/zinc/60/51/81/892605181.db2.gz XONJWXOTMGPCBZ-TXEJJXNPSA-N 1 2 265.357 0.503 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001481380914 892605187 /nfs/dbraw/zinc/60/51/87/892605187.db2.gz XONJWXOTMGPCBZ-TXEJJXNPSA-N 1 2 265.357 0.503 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049616 892661184 /nfs/dbraw/zinc/66/11/84/892661184.db2.gz SXTXBYIPBLEIRH-VXGBXAGGSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049616 892661189 /nfs/dbraw/zinc/66/11/89/892661189.db2.gz SXTXBYIPBLEIRH-VXGBXAGGSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC001342049616 892661194 /nfs/dbraw/zinc/66/11/94/892661194.db2.gz SXTXBYIPBLEIRH-VXGBXAGGSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC001342049616 892661200 /nfs/dbraw/zinc/66/12/00/892661200.db2.gz SXTXBYIPBLEIRH-VXGBXAGGSA-N 1 2 263.341 0.847 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2ccccc2)CC1 ZINC001481469870 892713032 /nfs/dbraw/zinc/71/30/32/892713032.db2.gz VJTRQFGHRIGRNN-UHFFFAOYSA-N 1 2 299.418 0.938 20 30 CCEDLO C#CCCCCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481621978 892920235 /nfs/dbraw/zinc/92/02/35/892920235.db2.gz XVCPDJQCCPXHMT-NSHDSACASA-N 1 2 265.357 0.102 20 30 CCEDLO Cc1cnc(C[NH+]2CC(CNC(=O)C#CC3CC3)C2)cn1 ZINC001481624423 892924134 /nfs/dbraw/zinc/92/41/34/892924134.db2.gz XEUVKQRXJJTLMA-UHFFFAOYSA-N 1 2 284.363 0.746 20 30 CCEDLO CC(C)=CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481714811 893078742 /nfs/dbraw/zinc/07/87/42/893078742.db2.gz WVEUVYQCOKRZKU-LBPRGKRZSA-N 1 2 278.356 0.125 20 30 CCEDLO CC(C)=CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481714811 893078762 /nfs/dbraw/zinc/07/87/62/893078762.db2.gz WVEUVYQCOKRZKU-LBPRGKRZSA-N 1 2 278.356 0.125 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCC(=O)N(C)C)C1 ZINC001482204343 893536001 /nfs/dbraw/zinc/53/60/01/893536001.db2.gz CLRKWYHMVHUTDG-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCCC(=O)N(C)C)C1 ZINC001482204343 893536018 /nfs/dbraw/zinc/53/60/18/893536018.db2.gz CLRKWYHMVHUTDG-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC=CC1 ZINC001496683391 893537699 /nfs/dbraw/zinc/53/76/99/893537699.db2.gz VKGFXOWEYCWSBE-UHFFFAOYSA-N 1 2 279.384 0.645 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC=CC1 ZINC001496683391 893537709 /nfs/dbraw/zinc/53/77/09/893537709.db2.gz VKGFXOWEYCWSBE-UHFFFAOYSA-N 1 2 279.384 0.645 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001409071531 894101717 /nfs/dbraw/zinc/10/17/17/894101717.db2.gz VNOSZEOBJPPOTE-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001496757551 894420774 /nfs/dbraw/zinc/42/07/74/894420774.db2.gz GCGFZASWUCQVSP-WDEREUQCSA-N 1 2 287.791 0.641 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001496757551 894420778 /nfs/dbraw/zinc/42/07/78/894420778.db2.gz GCGFZASWUCQVSP-WDEREUQCSA-N 1 2 287.791 0.641 20 30 CCEDLO C=CCCC[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482732301 894534642 /nfs/dbraw/zinc/53/46/42/894534642.db2.gz MBVNWRQUJUDWNM-DTWKUNHWSA-N 1 2 286.269 0.920 20 30 CCEDLO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001482732301 894534655 /nfs/dbraw/zinc/53/46/55/894534655.db2.gz MBVNWRQUJUDWNM-DTWKUNHWSA-N 1 2 286.269 0.920 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1nn(C)cc1Cl ZINC001482991031 894780846 /nfs/dbraw/zinc/78/08/46/894780846.db2.gz LNLQKMATZQPHRH-FSIBCCDJSA-N 1 2 295.774 0.995 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)COC(C)C ZINC001483636736 895765453 /nfs/dbraw/zinc/76/54/53/895765453.db2.gz WDWUSXXPDNZMGX-CYBMUJFWSA-N 1 2 268.357 0.252 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)COC(C)C ZINC001483636736 895765470 /nfs/dbraw/zinc/76/54/70/895765470.db2.gz WDWUSXXPDNZMGX-CYBMUJFWSA-N 1 2 268.357 0.252 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001483640054 895775383 /nfs/dbraw/zinc/77/53/83/895775383.db2.gz MZTOBPXAYPPXSO-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001483640054 895775394 /nfs/dbraw/zinc/77/53/94/895775394.db2.gz MZTOBPXAYPPXSO-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001483736037 895947995 /nfs/dbraw/zinc/94/79/95/895947995.db2.gz GYNBJUOSVLLQOC-SSDOTTSWSA-N 1 2 252.211 0.758 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001483736037 895948012 /nfs/dbraw/zinc/94/80/12/895948012.db2.gz GYNBJUOSVLLQOC-SSDOTTSWSA-N 1 2 252.211 0.758 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COC[C@H]2CCCO2)C1 ZINC001483894079 896109268 /nfs/dbraw/zinc/10/92/68/896109268.db2.gz JOSMHVLKWSXAKT-CQSZACIVSA-N 1 2 280.368 0.348 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2nocc2C)C1 ZINC001484245248 896276954 /nfs/dbraw/zinc/27/69/54/896276954.db2.gz WGCQQJGBHPJYFU-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nocc2C)C1 ZINC001484245248 896276969 /nfs/dbraw/zinc/27/69/69/896276969.db2.gz WGCQQJGBHPJYFU-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001484261944 896289950 /nfs/dbraw/zinc/28/99/50/896289950.db2.gz GDFGQHHWFPALPZ-ZDUSSCGKSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(C)CCC(=O)NCC1(O)C[NH+](CCOC(C)C)C1 ZINC001484276368 896303489 /nfs/dbraw/zinc/30/34/89/896303489.db2.gz QVOUYBLWEFWRNG-UHFFFAOYSA-N 1 2 284.400 0.931 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc[nH]1 ZINC001484607289 896495369 /nfs/dbraw/zinc/49/53/69/896495369.db2.gz MFFPOIFECCLHJK-AWEZNQCLSA-N 1 2 275.352 0.398 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc[nH]1 ZINC001484607289 896495376 /nfs/dbraw/zinc/49/53/76/896495376.db2.gz MFFPOIFECCLHJK-AWEZNQCLSA-N 1 2 275.352 0.398 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)OC)CO2 ZINC001484792327 896609178 /nfs/dbraw/zinc/60/91/78/896609178.db2.gz KHRLRQXIDYTASU-STQMWFEESA-N 1 2 280.368 0.394 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484798423 896611156 /nfs/dbraw/zinc/61/11/56/896611156.db2.gz WYZRFFLLESOYLN-ZIAGYGMSSA-N 1 2 294.395 0.520 20 30 CCEDLO C[C@@H](NCC#N)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001493851639 896671053 /nfs/dbraw/zinc/67/10/53/896671053.db2.gz WMLTUVLPEBTLGR-GFCCVEGCSA-N 1 2 275.356 0.623 20 30 CCEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001485204952 896861400 /nfs/dbraw/zinc/86/14/00/896861400.db2.gz NFSLFQXOEHKANU-MNOVXSKESA-N 1 2 298.350 0.973 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CCO)C[NH+](Cc2ccccc2)C1 ZINC001485400602 897035765 /nfs/dbraw/zinc/03/57/65/897035765.db2.gz LMKNVGWGKLFXBH-ZDUSSCGKSA-N 1 2 287.363 0.899 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001124778107 897281527 /nfs/dbraw/zinc/28/15/27/897281527.db2.gz LKPLLLMNKAGTDK-SNVBAGLBSA-N 1 2 294.355 0.916 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)Cc1c[nH+]cn1C ZINC001107851983 897357881 /nfs/dbraw/zinc/35/78/81/897357881.db2.gz UFIUGHNCLZKTNN-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 ZINC001032378070 897363407 /nfs/dbraw/zinc/36/34/07/897363407.db2.gz SULCMSLNKMUEOH-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 ZINC001032378070 897363421 /nfs/dbraw/zinc/36/34/21/897363421.db2.gz SULCMSLNKMUEOH-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001077740297 897382227 /nfs/dbraw/zinc/38/22/27/897382227.db2.gz GYYWTIDMGRQLQR-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001077740297 897382243 /nfs/dbraw/zinc/38/22/43/897382243.db2.gz GYYWTIDMGRQLQR-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869972 897401097 /nfs/dbraw/zinc/40/10/97/897401097.db2.gz LJPWRUKCSLJFCC-HIFRSBDPSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869972 897401104 /nfs/dbraw/zinc/40/11/04/897401104.db2.gz LJPWRUKCSLJFCC-HIFRSBDPSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001077750247 897410125 /nfs/dbraw/zinc/41/01/25/897410125.db2.gz BFXNIDBOBPGZHU-RBSFLKMASA-N 1 2 290.338 0.882 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001077750247 897410133 /nfs/dbraw/zinc/41/01/33/897410133.db2.gz BFXNIDBOBPGZHU-RBSFLKMASA-N 1 2 290.338 0.882 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001077806226 897608899 /nfs/dbraw/zinc/60/88/99/897608899.db2.gz AUSLZYKUQODYMQ-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001077806226 897608904 /nfs/dbraw/zinc/60/89/04/897608904.db2.gz AUSLZYKUQODYMQ-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(Cl)n1C ZINC001032518834 897692753 /nfs/dbraw/zinc/69/27/53/897692753.db2.gz ZSRSYHTZNOLPMW-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(Cl)n1C ZINC001032518834 897692758 /nfs/dbraw/zinc/69/27/58/897692758.db2.gz ZSRSYHTZNOLPMW-UWVGGRQHSA-N 1 2 278.743 0.605 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccn1C ZINC001032534655 897711802 /nfs/dbraw/zinc/71/18/02/897711802.db2.gz YXFDMWRXZRSNKS-STQMWFEESA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccn1C ZINC001032534655 897711814 /nfs/dbraw/zinc/71/18/14/897711814.db2.gz YXFDMWRXZRSNKS-STQMWFEESA-N 1 2 272.352 0.271 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC(N)=O ZINC001032590604 897788240 /nfs/dbraw/zinc/78/82/40/897788240.db2.gz PTLMEFKNGNOVAF-QWRGUYRKSA-N 1 2 289.335 0.392 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC(N)=O ZINC001032590604 897788254 /nfs/dbraw/zinc/78/82/54/897788254.db2.gz PTLMEFKNGNOVAF-QWRGUYRKSA-N 1 2 289.335 0.392 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCOCC1 ZINC001032628985 897850629 /nfs/dbraw/zinc/85/06/29/897850629.db2.gz QNWQOVAWTUCIJL-STQMWFEESA-N 1 2 280.343 0.671 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCOCC1 ZINC001032628985 897850643 /nfs/dbraw/zinc/85/06/43/897850643.db2.gz QNWQOVAWTUCIJL-STQMWFEESA-N 1 2 280.343 0.671 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)nc1C ZINC001032634541 897860124 /nfs/dbraw/zinc/86/01/24/897860124.db2.gz PTFPAMMGTKMOCP-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)nc1C ZINC001032634541 897860128 /nfs/dbraw/zinc/86/01/28/897860128.db2.gz PTFPAMMGTKMOCP-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cnn(C)c1 ZINC001032708543 897946998 /nfs/dbraw/zinc/94/69/98/897946998.db2.gz UGLLEEIWZILXQF-KBPBESRZSA-N 1 2 286.379 0.616 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cnn(C)c1 ZINC001032708543 897947010 /nfs/dbraw/zinc/94/70/10/897947010.db2.gz UGLLEEIWZILXQF-KBPBESRZSA-N 1 2 286.379 0.616 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001032720007 897971162 /nfs/dbraw/zinc/97/11/62/897971162.db2.gz HCAPSXQNASBFHU-DZKIICNBSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001032720007 897971171 /nfs/dbraw/zinc/97/11/71/897971171.db2.gz HCAPSXQNASBFHU-DZKIICNBSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001032728576 898022083 /nfs/dbraw/zinc/02/20/83/898022083.db2.gz HHFUUGNRXGRZCJ-UBHSHLNASA-N 1 2 284.363 0.433 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001032728576 898022096 /nfs/dbraw/zinc/02/20/96/898022096.db2.gz HHFUUGNRXGRZCJ-UBHSHLNASA-N 1 2 284.363 0.433 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1COCC[N@H+]1CCC[C@H](C)O ZINC001272859112 898086179 /nfs/dbraw/zinc/08/61/79/898086179.db2.gz LOJDCLZQOFZFSH-LSDHHAIUSA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1COCC[N@@H+]1CCC[C@H](C)O ZINC001272859112 898086188 /nfs/dbraw/zinc/08/61/88/898086188.db2.gz LOJDCLZQOFZFSH-LSDHHAIUSA-N 1 2 296.411 0.624 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(=O)N1C ZINC001032759059 898114429 /nfs/dbraw/zinc/11/44/29/898114429.db2.gz WOEAFPVCTGLQEO-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(=O)N1C ZINC001032759059 898114439 /nfs/dbraw/zinc/11/44/39/898114439.db2.gz WOEAFPVCTGLQEO-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272881086 898116240 /nfs/dbraw/zinc/11/62/40/898116240.db2.gz ZFGDMUJPLAQBEV-INIZCTEOSA-N 1 2 286.379 0.929 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272881086 898116247 /nfs/dbraw/zinc/11/62/47/898116247.db2.gz ZFGDMUJPLAQBEV-INIZCTEOSA-N 1 2 286.379 0.929 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001077968552 898121699 /nfs/dbraw/zinc/12/16/99/898121699.db2.gz PWXUESQTNDZGED-GHMZBOCLSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001077968552 898121705 /nfs/dbraw/zinc/12/17/05/898121705.db2.gz PWXUESQTNDZGED-GHMZBOCLSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001077998170 898168826 /nfs/dbraw/zinc/16/88/26/898168826.db2.gz JQMNJQSQQZFEMW-ZYHUDNBSSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001077998170 898168836 /nfs/dbraw/zinc/16/88/36/898168836.db2.gz JQMNJQSQQZFEMW-ZYHUDNBSSA-N 1 2 277.324 0.035 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078034070 898190677 /nfs/dbraw/zinc/19/06/77/898190677.db2.gz MPTUHCKRNDSAOU-NSHDSACASA-N 1 2 294.355 0.166 20 30 CCEDLO C=CCOc1ccc(C(=O)N(C)C2C[NH+](CCO)C2)cc1 ZINC001043117014 898213793 /nfs/dbraw/zinc/21/37/93/898213793.db2.gz CLZVZRWZDIFGHF-UHFFFAOYSA-N 1 2 290.363 1.000 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001078248257 898316975 /nfs/dbraw/zinc/31/69/75/898316975.db2.gz HJDSQQPLGFREAS-CHWSQXEVSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001078248257 898316983 /nfs/dbraw/zinc/31/69/83/898316983.db2.gz HJDSQQPLGFREAS-CHWSQXEVSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1csnn1 ZINC001486273246 898756615 /nfs/dbraw/zinc/75/66/15/898756615.db2.gz XTRCJIZUTCYQQJ-GFCCVEGCSA-N 1 2 296.396 0.251 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001397589700 914289744 /nfs/dbraw/zinc/28/97/44/914289744.db2.gz UQGAYIOBIAFPRN-VXGBXAGGSA-N 1 2 291.355 0.444 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001489780553 900519765 /nfs/dbraw/zinc/51/97/65/900519765.db2.gz DKIPCHAOYCQICS-JQWIXIFHSA-N 1 2 289.339 0.171 20 30 CCEDLO CC#CCCCC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001490237714 900575372 /nfs/dbraw/zinc/57/53/72/900575372.db2.gz REBRLTDKPSHAGL-UHFFFAOYSA-N 1 2 291.399 0.947 20 30 CCEDLO CC#CCCCC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001490237714 900575374 /nfs/dbraw/zinc/57/53/74/900575374.db2.gz REBRLTDKPSHAGL-UHFFFAOYSA-N 1 2 291.399 0.947 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CCOC(C)C)CC1 ZINC001490482337 900636257 /nfs/dbraw/zinc/63/62/57/900636257.db2.gz PDQHUIVDEPHRIB-UHFFFAOYSA-N 1 2 281.400 0.169 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490528672 900648302 /nfs/dbraw/zinc/64/83/02/900648302.db2.gz NUCXXHCTEYPXGZ-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490528672 900648306 /nfs/dbraw/zinc/64/83/06/900648306.db2.gz NUCXXHCTEYPXGZ-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001413438662 902950704 /nfs/dbraw/zinc/95/07/04/902950704.db2.gz RYVZKIMQMYNOQP-NSHDSACASA-N 1 2 288.282 0.754 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c(F)c1 ZINC001413438662 902950712 /nfs/dbraw/zinc/95/07/12/902950712.db2.gz RYVZKIMQMYNOQP-NSHDSACASA-N 1 2 288.282 0.754 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCNC(=O)[C@@H](C)C#N ZINC001495679800 903619234 /nfs/dbraw/zinc/61/92/34/903619234.db2.gz XJJOZEBRGKRECF-VHSXEESVSA-N 1 2 291.355 0.431 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001282403920 904470348 /nfs/dbraw/zinc/47/03/48/904470348.db2.gz YWDRGAYIGNBAFY-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001282403920 904470354 /nfs/dbraw/zinc/47/03/54/904470354.db2.gz YWDRGAYIGNBAFY-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](CC)OC)C1 ZINC001282510353 904499216 /nfs/dbraw/zinc/49/92/16/904499216.db2.gz UIVOFPGCYZPEQU-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CCn1cc(C(=O)NC2(CCO)C[NH+](CCC)C2)nn1 ZINC001282539018 904505155 /nfs/dbraw/zinc/50/51/55/904505155.db2.gz FTTGCHMKEQGACN-UHFFFAOYSA-N 1 2 293.371 0.041 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC)C1 ZINC001282683028 904520349 /nfs/dbraw/zinc/52/03/49/904520349.db2.gz VTHVQIMDNQABHO-JTQLQIEISA-N 1 2 253.346 0.135 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283247788 904778457 /nfs/dbraw/zinc/77/84/57/904778457.db2.gz IAQAJSCWAWFDGT-NWDGAFQWSA-N 1 2 277.372 0.986 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001283745547 904989458 /nfs/dbraw/zinc/98/94/58/904989458.db2.gz QZDHIDVFCNONST-OLZOCXBDSA-N 1 2 290.367 0.408 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283876419 905073725 /nfs/dbraw/zinc/07/37/25/905073725.db2.gz PSDPNXFOROUCGO-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001377839447 905182703 /nfs/dbraw/zinc/18/27/03/905182703.db2.gz CJHADJHTQWGCPC-STQMWFEESA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001377839447 905182714 /nfs/dbraw/zinc/18/27/14/905182714.db2.gz CJHADJHTQWGCPC-STQMWFEESA-N 1 2 294.399 0.593 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001284318062 905248358 /nfs/dbraw/zinc/24/83/58/905248358.db2.gz VQNKONXSJRRCOR-GHMZBOCLSA-N 1 2 294.355 0.164 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001377961589 905281458 /nfs/dbraw/zinc/28/14/58/905281458.db2.gz WYDOVTTUSWZLQU-WDEREUQCSA-N 1 2 280.372 0.109 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001336982920 921140359 /nfs/dbraw/zinc/14/03/59/921140359.db2.gz RYEKIWSUUUSJCR-VOAKCMCISA-N 1 2 296.367 0.507 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285362368 905608222 /nfs/dbraw/zinc/60/82/22/905608222.db2.gz TZQVNPZPVHPUMO-OLZOCXBDSA-N 1 2 290.367 0.552 20 30 CCEDLO C=CCCC(=O)N1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001286098288 905850464 /nfs/dbraw/zinc/85/04/64/905850464.db2.gz NHGRLRVRDFXATH-OAHLLOKOSA-N 1 2 290.367 0.957 20 30 CCEDLO Cc1nccn1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001292880914 906362874 /nfs/dbraw/zinc/36/28/74/906362874.db2.gz NTBHFQDLPGTDPY-UHFFFAOYSA-N 1 2 261.329 0.296 20 30 CCEDLO C#CCSCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001295427838 906723583 /nfs/dbraw/zinc/72/35/83/906723583.db2.gz DXQDRTSLCWQJKR-LBPRGKRZSA-N 1 2 296.392 0.249 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001380573114 906830624 /nfs/dbraw/zinc/83/06/24/906830624.db2.gz MWZOLQWBZHHHLR-ZDUSSCGKSA-N 1 2 298.774 0.339 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001380573114 906830632 /nfs/dbraw/zinc/83/06/32/906830632.db2.gz MWZOLQWBZHHHLR-ZDUSSCGKSA-N 1 2 298.774 0.339 20 30 CCEDLO C[C@H](c1nncn1C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001380949880 907006879 /nfs/dbraw/zinc/00/68/79/907006879.db2.gz QPRTVYBTHFBCDM-NWDGAFQWSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@H](c1nncn1C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001380949880 907006900 /nfs/dbraw/zinc/00/69/00/907006900.db2.gz QPRTVYBTHFBCDM-NWDGAFQWSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001380949878 907009025 /nfs/dbraw/zinc/00/90/25/907009025.db2.gz QPRTVYBTHFBCDM-NEPJUHHUSA-N 1 2 292.387 0.816 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001380949878 907009045 /nfs/dbraw/zinc/00/90/45/907009045.db2.gz QPRTVYBTHFBCDM-NEPJUHHUSA-N 1 2 292.387 0.816 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001297743828 907111882 /nfs/dbraw/zinc/11/18/82/907111882.db2.gz DZPUGKDMNBHHLC-CYBMUJFWSA-N 1 2 290.367 0.555 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001298814334 907334231 /nfs/dbraw/zinc/33/42/31/907334231.db2.gz GDKOFZOSUSRIOX-LBPRGKRZSA-N 1 2 290.367 0.860 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCCCC1 ZINC001492236064 907791382 /nfs/dbraw/zinc/79/13/82/907791382.db2.gz CZVGMJWPDIBMRN-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCCCC1 ZINC001492236064 907791393 /nfs/dbraw/zinc/79/13/93/907791393.db2.gz CZVGMJWPDIBMRN-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001492251801 907804820 /nfs/dbraw/zinc/80/48/20/907804820.db2.gz XRBDQDXTCNDBGV-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001492251801 907804828 /nfs/dbraw/zinc/80/48/28/907804828.db2.gz XRBDQDXTCNDBGV-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001492373315 907887426 /nfs/dbraw/zinc/88/74/26/907887426.db2.gz IDQXMUSNLQPILA-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001492373315 907887445 /nfs/dbraw/zinc/88/74/45/907887445.db2.gz IDQXMUSNLQPILA-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@H](Nc1cnccc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC001338084704 921362671 /nfs/dbraw/zinc/36/26/71/921362671.db2.gz QUSUYGLKMSISRQ-FZMZJTMJSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1cnccc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC001338084704 921362685 /nfs/dbraw/zinc/36/26/85/921362685.db2.gz QUSUYGLKMSISRQ-FZMZJTMJSA-N 1 2 259.357 0.999 20 30 CCEDLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)C#CC(C)C)o1 ZINC001317240208 907988157 /nfs/dbraw/zinc/98/81/57/907988157.db2.gz VSFRZOJXGZYVBU-LLVKDONJSA-N 1 2 278.356 0.886 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001338117249 921372676 /nfs/dbraw/zinc/37/26/76/921372676.db2.gz DWKJCRNQXTZDDM-NEPJUHHUSA-N 1 2 271.361 0.207 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001383818222 908083791 /nfs/dbraw/zinc/08/37/91/908083791.db2.gz UWKRQYAECVOIQE-RYUDHWBXSA-N 1 2 291.355 0.396 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cc(OC)no1 ZINC001317445439 908241130 /nfs/dbraw/zinc/24/11/30/908241130.db2.gz VUMXABRZXKGSGD-AWEZNQCLSA-N 1 2 297.355 0.558 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1cc(OC)no1 ZINC001317445439 908241146 /nfs/dbraw/zinc/24/11/46/908241146.db2.gz VUMXABRZXKGSGD-AWEZNQCLSA-N 1 2 297.355 0.558 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001316992243 908909214 /nfs/dbraw/zinc/90/92/14/908909214.db2.gz CDHHPUUZPGMONA-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001316992243 908909221 /nfs/dbraw/zinc/90/92/21/908909221.db2.gz CDHHPUUZPGMONA-GFCCVEGCSA-N 1 2 290.367 0.429 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1cnoc1C ZINC001317447653 909217370 /nfs/dbraw/zinc/21/73/70/909217370.db2.gz CARNGVDIHLUOTK-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1cnoc1C ZINC001317447653 909217385 /nfs/dbraw/zinc/21/73/85/909217385.db2.gz CARNGVDIHLUOTK-UHFFFAOYSA-N 1 2 279.340 0.571 20 30 CCEDLO COCCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317813634 909511091 /nfs/dbraw/zinc/51/10/91/909511091.db2.gz LJTXXFXJWLYXSX-UHFFFAOYSA-N 1 2 282.388 0.013 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCn2c(C)csc2=O)C1 ZINC001318033116 909589616 /nfs/dbraw/zinc/58/96/16/909589616.db2.gz USVNFFHCQLALPO-UHFFFAOYSA-N 1 2 295.408 0.985 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](OCC)[C@H]2CCOC2)C1 ZINC001318048134 909593859 /nfs/dbraw/zinc/59/38/59/909593859.db2.gz QEEZHBDNLWLARM-JSGCOSHPSA-N 1 2 280.368 0.252 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001318062658 909603846 /nfs/dbraw/zinc/60/38/46/909603846.db2.gz DTHSOUATCRODFM-UHFFFAOYSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2(CF)CCC2)C1 ZINC001318155832 909644151 /nfs/dbraw/zinc/64/41/51/909644151.db2.gz VFXBKEQHWLIPKU-UHFFFAOYSA-N 1 2 297.374 0.476 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001318193121 909664362 /nfs/dbraw/zinc/66/43/62/909664362.db2.gz NIDCCTDFSJOLFP-UBDFWVFDSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001318193121 909664377 /nfs/dbraw/zinc/66/43/77/909664377.db2.gz NIDCCTDFSJOLFP-UBDFWVFDSA-N 1 2 289.379 0.376 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318568594 909820623 /nfs/dbraw/zinc/82/06/23/909820623.db2.gz AXYHFXMAWRLTGX-RISCZKNCSA-N 1 2 294.403 0.797 20 30 CCEDLO COc1nccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001389454934 909904458 /nfs/dbraw/zinc/90/44/58/909904458.db2.gz REVDOVXELBKPEM-ZYHUDNBSSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1nccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001389454934 909904469 /nfs/dbraw/zinc/90/44/69/909904469.db2.gz REVDOVXELBKPEM-ZYHUDNBSSA-N 1 2 289.339 0.335 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)[C@@H](O)CC)n2C)CC1 ZINC001338696487 921545696 /nfs/dbraw/zinc/54/56/96/921545696.db2.gz KLDODZDZTKMUIN-OLZOCXBDSA-N 1 2 291.399 0.445 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2C)C1 ZINC001319323479 910095503 /nfs/dbraw/zinc/09/55/03/910095503.db2.gz YHKNJYORHMIGIT-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2C)C1 ZINC001319323479 910095518 /nfs/dbraw/zinc/09/55/18/910095518.db2.gz YHKNJYORHMIGIT-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001319381904 910125157 /nfs/dbraw/zinc/12/51/57/910125157.db2.gz VTIUJLXGHIPZHK-ZYHUDNBSSA-N 1 2 260.297 0.196 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001319976966 910385251 /nfs/dbraw/zinc/38/52/51/910385251.db2.gz OTOOHJQPYBPQDA-AWEZNQCLSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001319976966 910385263 /nfs/dbraw/zinc/38/52/63/910385263.db2.gz OTOOHJQPYBPQDA-AWEZNQCLSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001320040172 910429701 /nfs/dbraw/zinc/42/97/01/910429701.db2.gz WCGOBUUNECNLLE-LBPRGKRZSA-N 1 2 274.324 0.800 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001320040172 910429712 /nfs/dbraw/zinc/42/97/12/910429712.db2.gz WCGOBUUNECNLLE-LBPRGKRZSA-N 1 2 274.324 0.800 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC001320281360 910575395 /nfs/dbraw/zinc/57/53/95/910575395.db2.gz GJDATKALNMUXGB-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC001320281360 910575409 /nfs/dbraw/zinc/57/54/09/910575409.db2.gz GJDATKALNMUXGB-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3n[nH]cc3C)n2C)CC1 ZINC001338849600 921592112 /nfs/dbraw/zinc/59/21/12/921592112.db2.gz SBRWCXRBRZEHQW-UHFFFAOYSA-N 1 2 285.355 0.269 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)CC(N)=O ZINC001390950641 910787885 /nfs/dbraw/zinc/78/78/85/910787885.db2.gz FOKDTBZXVZVDCG-SECBINFHSA-N 1 2 275.780 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)CC(N)=O ZINC001390950641 910787889 /nfs/dbraw/zinc/78/78/89/910787889.db2.gz FOKDTBZXVZVDCG-SECBINFHSA-N 1 2 275.780 0.689 20 30 CCEDLO Cc1cc(C[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)nn1C ZINC001391153090 910919820 /nfs/dbraw/zinc/91/98/20/910919820.db2.gz DSPBKYMEEADQIS-LLVKDONJSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)nn1C ZINC001391153090 910919832 /nfs/dbraw/zinc/91/98/32/910919832.db2.gz DSPBKYMEEADQIS-LLVKDONJSA-N 1 2 289.383 0.969 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CNCC#N)C1CC1 ZINC001323079657 912105631 /nfs/dbraw/zinc/10/56/31/912105631.db2.gz BDKITXLWORPVAP-GXFFZTMASA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CNCC#N)C1CC1 ZINC001323079657 912105638 /nfs/dbraw/zinc/10/56/38/912105638.db2.gz BDKITXLWORPVAP-GXFFZTMASA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@H](CC(=O)N[C@H](CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001323083416 912106542 /nfs/dbraw/zinc/10/65/42/912106542.db2.gz ZMNKVPGQIAUDRH-DGCLKSJQSA-N 1 2 275.356 0.842 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001323232913 912208032 /nfs/dbraw/zinc/20/80/32/912208032.db2.gz SNFLPHYIFDAWJK-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001323232913 912208049 /nfs/dbraw/zinc/20/80/49/912208049.db2.gz SNFLPHYIFDAWJK-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001328131900 914987989 /nfs/dbraw/zinc/98/79/89/914987989.db2.gz PHHWEZJTFQSLIC-CQSZACIVSA-N 1 2 292.427 0.677 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001328408321 915174948 /nfs/dbraw/zinc/17/49/48/915174948.db2.gz YKNPHHLYHFDJOA-KGLIPLIRSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001328408321 915174960 /nfs/dbraw/zinc/17/49/60/915174960.db2.gz YKNPHHLYHFDJOA-KGLIPLIRSA-N 1 2 288.351 0.437 20 30 CCEDLO COCC#CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001328559723 915274840 /nfs/dbraw/zinc/27/48/40/915274840.db2.gz UCKITXLEVORFOQ-CHWSQXEVSA-N 1 2 261.325 0.942 20 30 CCEDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)cn1 ZINC001400476159 915767105 /nfs/dbraw/zinc/76/71/05/915767105.db2.gz RCEZPEIIDQMMKD-NSHDSACASA-N 1 2 288.351 0.798 20 30 CCEDLO CN(CC(C)(C)CNCC#N)C(=O)CCc1c[nH+]cn1C ZINC001329356833 915837685 /nfs/dbraw/zinc/83/76/85/915837685.db2.gz RQJDWIVUBATTIT-UHFFFAOYSA-N 1 2 291.399 0.950 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@H](C)C#N)CC2)o1 ZINC001402035301 916766656 /nfs/dbraw/zinc/76/66/56/916766656.db2.gz DLTPOVGZGMDKQY-SNVBAGLBSA-N 1 2 291.355 0.961 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CSCC#N)o1 ZINC001331390348 917298037 /nfs/dbraw/zinc/29/80/37/917298037.db2.gz USGQENXJAVWJLZ-SECBINFHSA-N 1 2 297.384 0.571 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC001331877869 917679835 /nfs/dbraw/zinc/67/98/35/917679835.db2.gz JCEIWLBOSXNIGP-NEPJUHHUSA-N 1 2 290.371 0.093 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001403504242 917748560 /nfs/dbraw/zinc/74/85/60/917748560.db2.gz FZWLUZCCKUQZEP-VXGBXAGGSA-N 1 2 282.388 0.355 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001403504242 917748571 /nfs/dbraw/zinc/74/85/71/917748571.db2.gz FZWLUZCCKUQZEP-VXGBXAGGSA-N 1 2 282.388 0.355 20 30 CCEDLO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001332180161 917938122 /nfs/dbraw/zinc/93/81/22/917938122.db2.gz WLYCXCOCWBAATM-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001332180161 917938128 /nfs/dbraw/zinc/93/81/28/917938128.db2.gz WLYCXCOCWBAATM-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)nn1C ZINC001407205526 919664165 /nfs/dbraw/zinc/66/41/65/919664165.db2.gz OMFUMVQANHXLJP-IAQYHMDHSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)nn1C ZINC001407205526 919664174 /nfs/dbraw/zinc/66/41/74/919664174.db2.gz OMFUMVQANHXLJP-IAQYHMDHSA-N 1 2 289.383 0.969 20 30 CCEDLO C[C@@H]([NH2+]C[C@H](O)CC#N)c1nnc2n1CCCCC2 ZINC001334772878 919756804 /nfs/dbraw/zinc/75/68/04/919756804.db2.gz UKKLCZHNOOOBJR-GHMZBOCLSA-N 1 2 263.345 0.930 20 30 CCEDLO N#C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001336293946 920705458 /nfs/dbraw/zinc/70/54/58/920705458.db2.gz VOQYPLGVXZAMFB-GFCCVEGCSA-N 1 2 290.367 0.055 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001415596417 920777760 /nfs/dbraw/zinc/77/77/60/920777760.db2.gz CAZIFYNFPUQLJF-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001415596417 920777770 /nfs/dbraw/zinc/77/77/70/920777770.db2.gz CAZIFYNFPUQLJF-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C=CC1CCN(c2nnc([C@@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001340043430 921927981 /nfs/dbraw/zinc/92/79/81/921927981.db2.gz IMDUPWDKOBVYEW-STQMWFEESA-N 1 2 291.399 0.955 20 30 CCEDLO C=CC1CCN(c2nnc([C@@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001340043430 921927992 /nfs/dbraw/zinc/92/79/92/921927992.db2.gz IMDUPWDKOBVYEW-STQMWFEESA-N 1 2 291.399 0.955 20 30 CCEDLO C=C(C)Cn1nnnc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001340233894 922017901 /nfs/dbraw/zinc/01/79/01/922017901.db2.gz PXTCSSMXCGZWDG-CYBMUJFWSA-N 1 2 292.387 0.550 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nnn(C)c1C ZINC001418539064 922239782 /nfs/dbraw/zinc/23/97/82/922239782.db2.gz XWSWYWOCNUJCOT-UHFFFAOYSA-N 1 2 285.779 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nnn(C)c1C ZINC001418539064 922239792 /nfs/dbraw/zinc/23/97/92/922239792.db2.gz XWSWYWOCNUJCOT-UHFFFAOYSA-N 1 2 285.779 0.928 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001341562937 922553796 /nfs/dbraw/zinc/55/37/96/922553796.db2.gz OVJUXQIGVOAJKC-GFCCVEGCSA-N 1 2 277.372 0.761 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001341562937 922553809 /nfs/dbraw/zinc/55/38/09/922553809.db2.gz OVJUXQIGVOAJKC-GFCCVEGCSA-N 1 2 277.372 0.761 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001341718287 922640985 /nfs/dbraw/zinc/64/09/85/922640985.db2.gz HGQDRBRMQZIBLQ-STQMWFEESA-N 1 2 287.367 0.016 20 30 CCEDLO C#CCN(CC#CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001341718287 922640997 /nfs/dbraw/zinc/64/09/97/922640997.db2.gz HGQDRBRMQZIBLQ-STQMWFEESA-N 1 2 287.367 0.016 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH+]1CCN(C/C=C\Cl)CC1 ZINC001419123849 922646433 /nfs/dbraw/zinc/64/64/33/922646433.db2.gz BETHPUZGOIGSGX-DLGQBQFBSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](C/C=C\Cl)CC1 ZINC001419123849 922646438 /nfs/dbraw/zinc/64/64/38/922646438.db2.gz BETHPUZGOIGSGX-DLGQBQFBSA-N 1 2 284.791 0.632 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001419460798 922850815 /nfs/dbraw/zinc/85/08/15/922850815.db2.gz KDCITOKDXJSUBS-INTQDDNPSA-N 1 2 289.339 0.843 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001346767801 924306921 /nfs/dbraw/zinc/30/69/21/924306921.db2.gz UJZOMDCSSKRYQA-ZNMIVQPWSA-N 1 2 292.427 0.676 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001346767801 924306928 /nfs/dbraw/zinc/30/69/28/924306928.db2.gz UJZOMDCSSKRYQA-ZNMIVQPWSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2nccs2)CC1 ZINC001347059615 924360887 /nfs/dbraw/zinc/36/08/87/924360887.db2.gz HSAWZJXKHAVVMI-ARJAWSKDSA-N 1 2 261.350 0.934 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352901606 925669543 /nfs/dbraw/zinc/66/95/43/925669543.db2.gz LHHKLIOVAPEYSV-VXGBXAGGSA-N 1 2 277.372 0.495 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001352901606 925669546 /nfs/dbraw/zinc/66/95/46/925669546.db2.gz LHHKLIOVAPEYSV-VXGBXAGGSA-N 1 2 277.372 0.495 20 30 CCEDLO C#CCOCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353519253 925860444 /nfs/dbraw/zinc/86/04/44/925860444.db2.gz XNYJCMSRGCEOEB-UHFFFAOYSA-N 1 2 290.367 0.959 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2COCCO2)n1 ZINC001354725878 926159673 /nfs/dbraw/zinc/15/96/73/926159673.db2.gz MXPJNHBVMYRESC-AWEZNQCLSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2COCCO2)n1 ZINC001354725878 926159693 /nfs/dbraw/zinc/15/96/93/926159693.db2.gz MXPJNHBVMYRESC-AWEZNQCLSA-N 1 2 263.341 0.754 20 30 CCEDLO C=CCOCC(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001357182672 926493301 /nfs/dbraw/zinc/49/33/01/926493301.db2.gz VUQIWMQQYKDARN-UHFFFAOYSA-N 1 2 294.355 0.072 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2ccnn2)C1 ZINC001421319972 926672609 /nfs/dbraw/zinc/67/26/09/926672609.db2.gz QSOWHXXEECPGDW-GFCCVEGCSA-N 1 2 297.790 0.953 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2ccnn2)C1 ZINC001421319972 926672614 /nfs/dbraw/zinc/67/26/14/926672614.db2.gz QSOWHXXEECPGDW-GFCCVEGCSA-N 1 2 297.790 0.953 20 30 CCEDLO N#Cc1ccc(NCC(=O)NCCn2cc[nH+]c2)nc1 ZINC001361646576 927218219 /nfs/dbraw/zinc/21/82/19/927218219.db2.gz FAKOJEYISDJQAV-UHFFFAOYSA-N 1 2 270.296 0.378 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001422867102 927562650 /nfs/dbraw/zinc/56/26/50/927562650.db2.gz WZUJOQIRPMFNHF-PSASIEDQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001422867102 927562658 /nfs/dbraw/zinc/56/26/58/927562658.db2.gz WZUJOQIRPMFNHF-PSASIEDQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ocnc2C)C1 ZINC001423739748 927968655 /nfs/dbraw/zinc/96/86/55/927968655.db2.gz JVIQYRVPSAYART-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ocnc2C)C1 ZINC001423739748 927968662 /nfs/dbraw/zinc/96/86/62/927968662.db2.gz JVIQYRVPSAYART-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001425214147 928463985 /nfs/dbraw/zinc/46/39/85/928463985.db2.gz APKWYYZKVCISTN-IUCAKERBSA-N 1 2 288.779 0.232 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285550 928493447 /nfs/dbraw/zinc/49/34/47/928493447.db2.gz SXBPBLJVNVPIAY-DGCLKSJQSA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285550 928493459 /nfs/dbraw/zinc/49/34/59/928493459.db2.gz SXBPBLJVNVPIAY-DGCLKSJQSA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001426372701 928825876 /nfs/dbraw/zinc/82/58/76/928825876.db2.gz YDCUNZZCDZGVMB-WHXUTIOJSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001426821004 928926308 /nfs/dbraw/zinc/92/63/08/928926308.db2.gz LLPZFJXSEAHRDM-MNOVXSKESA-N 1 2 277.328 0.006 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001427064683 928964873 /nfs/dbraw/zinc/96/48/73/928964873.db2.gz IPROPYSANIERFA-UWVGGRQHSA-N 1 2 289.339 0.075 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001363276984 929063342 /nfs/dbraw/zinc/06/33/42/929063342.db2.gz PCQYBAWFHGZVMA-RWMBFGLXSA-N 1 2 285.303 0.189 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001363276984 929063350 /nfs/dbraw/zinc/06/33/50/929063350.db2.gz PCQYBAWFHGZVMA-RWMBFGLXSA-N 1 2 285.303 0.189 20 30 CCEDLO CCn1nncc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC001363427899 929217966 /nfs/dbraw/zinc/21/79/66/929217966.db2.gz OZVZMRXBWTVLCI-UHFFFAOYSA-N 1 2 292.387 0.346 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1ccc(C#N)nc1 ZINC001363487599 929294979 /nfs/dbraw/zinc/29/49/79/929294979.db2.gz CWRVAQFTFOKRRZ-LBPRGKRZSA-N 1 2 285.307 0.079 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001429286165 929427304 /nfs/dbraw/zinc/42/73/04/929427304.db2.gz LRKIFRUFIMOIMU-QWRGUYRKSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001429286165 929427307 /nfs/dbraw/zinc/42/73/07/929427307.db2.gz LRKIFRUFIMOIMU-QWRGUYRKSA-N 1 2 291.355 0.323 20 30 CCEDLO N#Cc1cncc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)n1 ZINC001363729534 929527434 /nfs/dbraw/zinc/52/74/34/929527434.db2.gz TXUKJVTWDBPKIW-GFCCVEGCSA-N 1 2 287.323 0.540 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001363798197 929586139 /nfs/dbraw/zinc/58/61/39/929586139.db2.gz LKSXDJAHEMEUPN-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001363798197 929586151 /nfs/dbraw/zinc/58/61/51/929586151.db2.gz LKSXDJAHEMEUPN-KGLIPLIRSA-N 1 2 294.376 0.711 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC001371927561 929669434 /nfs/dbraw/zinc/66/94/34/929669434.db2.gz QRCPYYWRORLPMN-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC001371927561 929669443 /nfs/dbraw/zinc/66/94/43/929669443.db2.gz QRCPYYWRORLPMN-ZDUSSCGKSA-N 1 2 294.399 0.597 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001443993878 929761418 /nfs/dbraw/zinc/76/14/18/929761418.db2.gz NLACFAPYTYGPOH-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001373588093 930259183 /nfs/dbraw/zinc/25/91/83/930259183.db2.gz MRRCUTPQVRLVLI-PWSUYJOCSA-N 1 2 290.371 0.457 20 30 CCEDLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001373588093 930259192 /nfs/dbraw/zinc/25/91/92/930259192.db2.gz MRRCUTPQVRLVLI-PWSUYJOCSA-N 1 2 290.371 0.457 20 30 CCEDLO CCc1nc(C[NH2+]CC2CC(NC(=O)[C@H](C)C#N)C2)no1 ZINC001447787722 930713741 /nfs/dbraw/zinc/71/37/41/930713741.db2.gz MVQNIMAPXHDKBS-KPPDAEKUSA-N 1 2 291.355 0.776 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375222790 930823987 /nfs/dbraw/zinc/82/39/87/930823987.db2.gz TXRABLBKEQHQBA-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001449198000 931099576 /nfs/dbraw/zinc/09/95/76/931099576.db2.gz XHCMJSFKUKAPFO-GHMZBOCLSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001449198000 931099580 /nfs/dbraw/zinc/09/95/80/931099580.db2.gz XHCMJSFKUKAPFO-GHMZBOCLSA-N 1 2 291.355 0.323 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccnc1 ZINC000573328591 334928316 /nfs/dbraw/zinc/92/83/16/334928316.db2.gz RZWCADIMPWNNME-AWEZNQCLSA-N 1 2 260.341 0.974 20 30 CCEDLO CC#CCC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599591876 361754819 /nfs/dbraw/zinc/75/48/19/361754819.db2.gz SJCISFXHJXYHLD-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599591876 361754823 /nfs/dbraw/zinc/75/48/23/361754823.db2.gz SJCISFXHJXYHLD-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599689293 361787999 /nfs/dbraw/zinc/78/79/99/361787999.db2.gz IQTRTTXNZSRJTH-CYBMUJFWSA-N 1 2 292.383 0.539 20 30 CCEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599689293 361788005 /nfs/dbraw/zinc/78/80/05/361788005.db2.gz IQTRTTXNZSRJTH-CYBMUJFWSA-N 1 2 292.383 0.539 20 30 CCEDLO CC(C)(CCC#N)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000600191316 361886832 /nfs/dbraw/zinc/88/68/32/361886832.db2.gz XCWCDECOBAGVMX-UHFFFAOYSA-N 1 2 259.375 0.550 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000600418446 361955786 /nfs/dbraw/zinc/95/57/86/361955786.db2.gz CWHFFVPXGIQKMG-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000600418446 361955792 /nfs/dbraw/zinc/95/57/92/361955792.db2.gz CWHFFVPXGIQKMG-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000126422202 187238449 /nfs/dbraw/zinc/23/84/49/187238449.db2.gz LIFKMQFEEATJSK-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO N#Cc1c(F)cccc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601175756 362167021 /nfs/dbraw/zinc/16/70/21/362167021.db2.gz BKSIKVVQUFESHB-NSHDSACASA-N 1 2 279.315 0.802 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601316072 362215294 /nfs/dbraw/zinc/21/52/94/362215294.db2.gz SIOIYHUHKFWTER-RYUDHWBXSA-N 1 2 289.401 0.128 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601316072 362215303 /nfs/dbraw/zinc/21/53/03/362215303.db2.gz SIOIYHUHKFWTER-RYUDHWBXSA-N 1 2 289.401 0.128 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cnc(C#N)cn3)CC2)S1 ZINC000133435803 136390294 /nfs/dbraw/zinc/39/02/94/136390294.db2.gz DBEHKQJHXXRUQK-SNVBAGLBSA-N 1 2 288.380 0.962 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000113552341 349815543 /nfs/dbraw/zinc/81/55/43/349815543.db2.gz QAHYISNLJLHJLJ-NSHDSACASA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000113552341 349815548 /nfs/dbraw/zinc/81/55/48/349815548.db2.gz QAHYISNLJLHJLJ-NSHDSACASA-N 1 2 277.284 0.604 20 30 CCEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC000330243587 529786305 /nfs/dbraw/zinc/78/63/05/529786305.db2.gz CRYVTUOACOZFDN-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC000330243587 529786306 /nfs/dbraw/zinc/78/63/06/529786306.db2.gz CRYVTUOACOZFDN-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329984982 529813847 /nfs/dbraw/zinc/81/38/47/529813847.db2.gz CTERFYBFZOZVDR-BIBXISHDSA-N 1 2 296.396 0.672 20 30 CCEDLO CC(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(N)=O ZINC000115599766 349859234 /nfs/dbraw/zinc/85/92/34/349859234.db2.gz QDSQDOZXQACXCI-VXGBXAGGSA-N 1 2 274.324 0.184 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000118392159 349901489 /nfs/dbraw/zinc/90/14/89/349901489.db2.gz VZXHPWCMHVWVOI-LLVKDONJSA-N 1 2 294.380 0.440 20 30 CCEDLO C=C(C)C[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000601784829 362391483 /nfs/dbraw/zinc/39/14/83/362391483.db2.gz HQXPJGBIHQOFHC-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601967820 362441688 /nfs/dbraw/zinc/44/16/88/362441688.db2.gz CJUGQOCNEOQHQE-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601967820 362441692 /nfs/dbraw/zinc/44/16/92/362441692.db2.gz CJUGQOCNEOQHQE-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000601970235 362442556 /nfs/dbraw/zinc/44/25/56/362442556.db2.gz NFGPGBRLEGAMMD-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000601970235 362442561 /nfs/dbraw/zinc/44/25/61/362442561.db2.gz NFGPGBRLEGAMMD-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO N#CC1(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000601887738 362417184 /nfs/dbraw/zinc/41/71/84/362417184.db2.gz JMNHZSHZJWBEOY-UHFFFAOYSA-N 1 2 299.378 0.857 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)CO)n1cc[nH+]c1 ZINC000602159813 362535032 /nfs/dbraw/zinc/53/50/32/362535032.db2.gz VQMKMQMOKCGTFP-QWRGUYRKSA-N 1 2 250.302 0.471 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000602200664 362554456 /nfs/dbraw/zinc/55/44/56/362554456.db2.gz RNUAMUXUZBFGAD-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncc2ccccn21 ZINC000602336059 362590092 /nfs/dbraw/zinc/59/00/92/362590092.db2.gz XHCOOFKXYFORBZ-AWEZNQCLSA-N 1 2 271.324 0.908 20 30 CCEDLO CS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602431250 362612007 /nfs/dbraw/zinc/61/20/07/362612007.db2.gz BVWQGKVHXTWSPG-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000602487165 362640852 /nfs/dbraw/zinc/64/08/52/362640852.db2.gz VGIGHFGFFBOOJL-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000602487165 362640856 /nfs/dbraw/zinc/64/08/56/362640856.db2.gz VGIGHFGFFBOOJL-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO C[C@@H]1C[NH+](Cc2nccc(N)n2)C[C@@H](C)N1CC#N ZINC000602856302 362843467 /nfs/dbraw/zinc/84/34/67/362843467.db2.gz YRHUQHJILULABC-GHMZBOCLSA-N 1 2 260.345 0.307 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@@H](C)N1CC#N ZINC000602857300 362843580 /nfs/dbraw/zinc/84/35/80/362843580.db2.gz QNGZGAZLSXEUQZ-MCIONIFRSA-N 1 2 294.399 0.200 20 30 CCEDLO N#CC1(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000602858702 362845634 /nfs/dbraw/zinc/84/56/34/362845634.db2.gz AERGUGVYOQHNLY-SECBINFHSA-N 1 2 260.297 0.981 20 30 CCEDLO N#CC1(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000602858702 362845643 /nfs/dbraw/zinc/84/56/43/362845643.db2.gz AERGUGVYOQHNLY-SECBINFHSA-N 1 2 260.297 0.981 20 30 CCEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)CC#N ZINC000602861633 362847057 /nfs/dbraw/zinc/84/70/57/362847057.db2.gz GTTQZORUTKRHMC-NWDGAFQWSA-N 1 2 281.356 0.822 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(C3CC3)c2=S)CC1 ZINC000029436600 348112163 /nfs/dbraw/zinc/11/21/63/348112163.db2.gz RDEMVKCTKPWRHZ-UHFFFAOYSA-N 1 2 277.397 0.957 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000027115594 348096627 /nfs/dbraw/zinc/09/66/27/348096627.db2.gz RKXVCSRSNVLSHE-SNVBAGLBSA-N 1 2 255.318 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000027115594 348096629 /nfs/dbraw/zinc/09/66/29/348096629.db2.gz RKXVCSRSNVLSHE-SNVBAGLBSA-N 1 2 255.318 0.109 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)Cc1cnc2ccc(C#N)cn12 ZINC000120332956 349981961 /nfs/dbraw/zinc/98/19/61/349981961.db2.gz TUVPAJHKOXEROF-UHFFFAOYSA-N 1 2 283.335 0.916 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)Cc1cnc2ccc(C#N)cn12 ZINC000120332956 349981965 /nfs/dbraw/zinc/98/19/65/349981965.db2.gz TUVPAJHKOXEROF-UHFFFAOYSA-N 1 2 283.335 0.916 20 30 CCEDLO CN(CC(=O)NC1CC1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000120332956 349981969 /nfs/dbraw/zinc/98/19/69/349981969.db2.gz TUVPAJHKOXEROF-UHFFFAOYSA-N 1 2 283.335 0.916 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602974427 362915725 /nfs/dbraw/zinc/91/57/25/362915725.db2.gz OAZYMTUXIGWFAP-RDBSUJKOSA-N 1 2 267.373 0.304 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974119 362916589 /nfs/dbraw/zinc/91/65/89/362916589.db2.gz KALXESWAWPCEPC-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974119 362916597 /nfs/dbraw/zinc/91/65/97/362916597.db2.gz KALXESWAWPCEPC-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000273353895 192123634 /nfs/dbraw/zinc/12/36/34/192123634.db2.gz VOCSSOFYSFVRIV-GHMZBOCLSA-N 1 2 252.318 0.508 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)NCc1cccc(C#N)c1 ZINC000349115825 137387942 /nfs/dbraw/zinc/38/79/42/137387942.db2.gz DXBURZPTFWWWGH-UHFFFAOYSA-N 1 2 288.351 0.370 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCc1cccc(C#N)c1 ZINC000349115825 137387943 /nfs/dbraw/zinc/38/79/43/137387943.db2.gz DXBURZPTFWWWGH-UHFFFAOYSA-N 1 2 288.351 0.370 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000049238342 348446669 /nfs/dbraw/zinc/44/66/69/348446669.db2.gz BVEHWKDOKDYXQK-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000049238342 348446671 /nfs/dbraw/zinc/44/66/71/348446671.db2.gz BVEHWKDOKDYXQK-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886730 348498619 /nfs/dbraw/zinc/49/86/19/348498619.db2.gz JIKSSDYDIWSPKH-VIFPVBQESA-N 1 2 265.338 0.872 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000051886730 348498622 /nfs/dbraw/zinc/49/86/22/348498622.db2.gz JIKSSDYDIWSPKH-VIFPVBQESA-N 1 2 265.338 0.872 20 30 CCEDLO C=CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000053430421 348529204 /nfs/dbraw/zinc/52/92/04/348529204.db2.gz GJKMRAFHBRZABC-UHFFFAOYSA-N 1 2 251.374 0.803 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000603000111 362929790 /nfs/dbraw/zinc/92/97/90/362929790.db2.gz VFOZTMIFLNEQHM-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000603000111 362929797 /nfs/dbraw/zinc/92/97/97/362929797.db2.gz VFOZTMIFLNEQHM-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@H+](CCOCCC#N)CCO1 ZINC000603005085 362933871 /nfs/dbraw/zinc/93/38/71/362933871.db2.gz AITMCDWLNXALQK-ZDUSSCGKSA-N 1 2 270.329 0.571 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCOCCC#N)CCO1 ZINC000603005085 362933879 /nfs/dbraw/zinc/93/38/79/362933879.db2.gz AITMCDWLNXALQK-ZDUSSCGKSA-N 1 2 270.329 0.571 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000081750473 349282413 /nfs/dbraw/zinc/28/24/13/349282413.db2.gz TXHYTOUVJYPSQD-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000084203558 349316716 /nfs/dbraw/zinc/31/67/16/349316716.db2.gz CCLNDVXWDBIDJY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000084203558 349316718 /nfs/dbraw/zinc/31/67/18/349316718.db2.gz CCLNDVXWDBIDJY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000084203730 349316806 /nfs/dbraw/zinc/31/68/06/349316806.db2.gz QARVHRSZICUCML-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000084203730 349316809 /nfs/dbraw/zinc/31/68/09/349316809.db2.gz QARVHRSZICUCML-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000084203676 349316859 /nfs/dbraw/zinc/31/68/59/349316859.db2.gz UBPPWQICSGWDMR-ZDUSSCGKSA-N 1 2 259.309 0.366 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000084203676 349316863 /nfs/dbraw/zinc/31/68/63/349316863.db2.gz UBPPWQICSGWDMR-ZDUSSCGKSA-N 1 2 259.309 0.366 20 30 CCEDLO C[C@@H](CO)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000121123947 350023154 /nfs/dbraw/zinc/02/31/54/350023154.db2.gz URZZGEXGQXDQQG-CYBMUJFWSA-N 1 2 255.362 0.163 20 30 CCEDLO C[C@@H](CO)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000121123947 350023160 /nfs/dbraw/zinc/02/31/60/350023160.db2.gz URZZGEXGQXDQQG-CYBMUJFWSA-N 1 2 255.362 0.163 20 30 CCEDLO C[C@@H](CO)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000121123947 350023166 /nfs/dbraw/zinc/02/31/66/350023166.db2.gz URZZGEXGQXDQQG-CYBMUJFWSA-N 1 2 255.362 0.163 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000127298563 350165414 /nfs/dbraw/zinc/16/54/14/350165414.db2.gz GXGBVHHGYRMBQN-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000110490573 186299418 /nfs/dbraw/zinc/29/94/18/186299418.db2.gz BCPOLCMXVDBPEI-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000110490573 186299420 /nfs/dbraw/zinc/29/94/20/186299420.db2.gz BCPOLCMXVDBPEI-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](O)C2)c1 ZINC000158814798 350663213 /nfs/dbraw/zinc/66/32/13/350663213.db2.gz YQZVRESRSUPETQ-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000158814798 350663217 /nfs/dbraw/zinc/66/32/17/350663217.db2.gz YQZVRESRSUPETQ-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172185455 350964944 /nfs/dbraw/zinc/96/49/44/350964944.db2.gz GHNQPLMOIGTULC-HNNXBMFYSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172185455 350964947 /nfs/dbraw/zinc/96/49/47/350964947.db2.gz GHNQPLMOIGTULC-HNNXBMFYSA-N 1 2 273.336 0.895 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172611802 350997946 /nfs/dbraw/zinc/99/79/46/350997946.db2.gz BGPYPALEVVYEMV-JTQLQIEISA-N 1 2 259.313 0.682 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000173881871 351059948 /nfs/dbraw/zinc/05/99/48/351059948.db2.gz FSDFVSSJKAIWFN-SNVBAGLBSA-N 1 2 258.343 0.507 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000173881871 351059950 /nfs/dbraw/zinc/05/99/50/351059950.db2.gz FSDFVSSJKAIWFN-SNVBAGLBSA-N 1 2 258.343 0.507 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000175325562 351126640 /nfs/dbraw/zinc/12/66/40/351126640.db2.gz MTSRNSSQHIDDGC-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175882922 351147023 /nfs/dbraw/zinc/14/70/23/351147023.db2.gz XKMISVZNJSRMIV-QWHCGFSZSA-N 1 2 292.383 0.285 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175882922 351147028 /nfs/dbraw/zinc/14/70/28/351147028.db2.gz XKMISVZNJSRMIV-QWHCGFSZSA-N 1 2 292.383 0.285 20 30 CCEDLO CC#CC[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000189618854 351692978 /nfs/dbraw/zinc/69/29/78/351692978.db2.gz NOBABEUMLFILKU-UHFFFAOYSA-N 1 2 264.329 0.357 20 30 CCEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000123849485 187111709 /nfs/dbraw/zinc/11/17/09/187111709.db2.gz LORYNPDQZDFNHT-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216422294 351942533 /nfs/dbraw/zinc/94/25/33/351942533.db2.gz OSLCOGBVVJBEKX-UONOGXRCSA-N 1 2 273.336 0.802 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216422294 351942536 /nfs/dbraw/zinc/94/25/36/351942536.db2.gz OSLCOGBVVJBEKX-UONOGXRCSA-N 1 2 273.336 0.802 20 30 CCEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336852 352112793 /nfs/dbraw/zinc/11/27/93/352112793.db2.gz FKAZLRVJMNJANN-MRVPVSSYSA-N 1 2 271.367 0.602 20 30 CCEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336852 352112794 /nfs/dbraw/zinc/11/27/94/352112794.db2.gz FKAZLRVJMNJANN-MRVPVSSYSA-N 1 2 271.367 0.602 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249271892 352483536 /nfs/dbraw/zinc/48/35/36/352483536.db2.gz BNQILRSOKVQZIO-KGYLQXTDSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249271892 352483540 /nfs/dbraw/zinc/48/35/40/352483540.db2.gz BNQILRSOKVQZIO-KGYLQXTDSA-N 1 2 289.335 0.313 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000270993253 353011884 /nfs/dbraw/zinc/01/18/84/353011884.db2.gz BLYVOZZMKDNWBF-UHFFFAOYSA-N 1 2 281.400 0.891 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000270993253 353011886 /nfs/dbraw/zinc/01/18/86/353011886.db2.gz BLYVOZZMKDNWBF-UHFFFAOYSA-N 1 2 281.400 0.891 20 30 CCEDLO N#Cc1cc(F)ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278281647 353291370 /nfs/dbraw/zinc/29/13/70/353291370.db2.gz BRPBBSRRWSSOIL-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO N#Cc1cc(F)ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278281647 353291373 /nfs/dbraw/zinc/29/13/73/353291373.db2.gz BRPBBSRRWSSOIL-UHFFFAOYSA-N 1 2 276.315 0.931 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000282089281 353392201 /nfs/dbraw/zinc/39/22/01/353392201.db2.gz IBGQLVCXQSBCRQ-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000282089281 353392207 /nfs/dbraw/zinc/39/22/07/353392207.db2.gz IBGQLVCXQSBCRQ-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO COC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158558294 188382692 /nfs/dbraw/zinc/38/26/92/188382692.db2.gz PWCDEJKMGNFAQS-GFCCVEGCSA-N 1 2 262.309 0.629 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)o1 ZINC000286685532 353604089 /nfs/dbraw/zinc/60/40/89/353604089.db2.gz QHUGNVCSUJJCIK-UHFFFAOYSA-N 1 2 295.364 0.868 20 30 CCEDLO Cn1cnc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000618905064 366116425 /nfs/dbraw/zinc/11/64/25/366116425.db2.gz UOCXOSNHZANWHW-UHFFFAOYSA-N 1 2 277.372 0.468 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(O)cc(C#N)c1 ZINC000618935486 366127610 /nfs/dbraw/zinc/12/76/10/366127610.db2.gz WEBMXIGCBQBBHP-UHFFFAOYSA-N 1 2 289.335 0.668 20 30 CCEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(N)=O)CC1 ZINC000299633683 354034548 /nfs/dbraw/zinc/03/45/48/354034548.db2.gz OFALOEKXKSLVPC-UHFFFAOYSA-N 1 2 295.346 0.714 20 30 CCEDLO C#CC[NH+](CC#C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304337534 354113512 /nfs/dbraw/zinc/11/35/12/354113512.db2.gz XKUREBSFYVQMCS-QLFBSQMISA-N 1 2 264.369 0.025 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C1CC1 ZINC000329609568 354258678 /nfs/dbraw/zinc/25/86/78/354258678.db2.gz JBKMZBNUWCMHFO-VNHYZAJKSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@](C)(CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C1CC1 ZINC000329609568 354258682 /nfs/dbraw/zinc/25/86/82/354258682.db2.gz JBKMZBNUWCMHFO-VNHYZAJKSA-N 1 2 297.399 0.730 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@@H]21 ZINC000330027452 354287079 /nfs/dbraw/zinc/28/70/79/354287079.db2.gz NDBIIYVHDJFKNR-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@@H]21 ZINC000330027452 354287082 /nfs/dbraw/zinc/28/70/82/354287082.db2.gz NDBIIYVHDJFKNR-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000330416278 354350315 /nfs/dbraw/zinc/35/03/15/354350315.db2.gz VCIGJDCQURDJNZ-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000330416278 354350318 /nfs/dbraw/zinc/35/03/18/354350318.db2.gz VCIGJDCQURDJNZ-JTQLQIEISA-N 1 2 262.313 0.337 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338622837 355381540 /nfs/dbraw/zinc/38/15/40/355381540.db2.gz FPGHUIGIXSHTEX-OAHLLOKOSA-N 1 2 291.326 0.581 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338622837 355381543 /nfs/dbraw/zinc/38/15/43/355381543.db2.gz FPGHUIGIXSHTEX-OAHLLOKOSA-N 1 2 291.326 0.581 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)CCC#N ZINC000338828574 355431642 /nfs/dbraw/zinc/43/16/42/355431642.db2.gz ABFQHKCWPCFHKS-UHFFFAOYSA-N 1 2 262.269 0.401 20 30 CCEDLO Cc1cc(NC[C@H]2CCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425241456 235276524 /nfs/dbraw/zinc/27/65/24/235276524.db2.gz AMPGHGYTEVGTLO-LLVKDONJSA-N 1 2 294.380 0.377 20 30 CCEDLO C[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cn1cc[nH+]c1 ZINC000342749402 355736101 /nfs/dbraw/zinc/73/61/01/355736101.db2.gz LRLVTSGYNOWUSU-QWRGUYRKSA-N 1 2 287.327 0.360 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4C(=O)NC[C@@H]43)n2c1 ZINC000342848249 355758451 /nfs/dbraw/zinc/75/84/51/355758451.db2.gz AGXGZGNWWMIHFI-KBPBESRZSA-N 1 2 295.346 0.916 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]4C(=O)NC[C@@H]43)n2c1 ZINC000342848249 355758454 /nfs/dbraw/zinc/75/84/54/355758454.db2.gz AGXGZGNWWMIHFI-KBPBESRZSA-N 1 2 295.346 0.916 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000344002808 355781194 /nfs/dbraw/zinc/78/11/94/355781194.db2.gz ZTFAVQNCKUMFMK-UHFFFAOYSA-N 1 2 268.361 0.700 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000344002808 355781199 /nfs/dbraw/zinc/78/11/99/355781199.db2.gz ZTFAVQNCKUMFMK-UHFFFAOYSA-N 1 2 268.361 0.700 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c(F)c1 ZINC000361295681 138027624 /nfs/dbraw/zinc/02/76/24/138027624.db2.gz FYYLGJSLGQSLGO-HUUCEWRRSA-N 1 2 291.326 0.579 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2c[nH]c(C#N)c2)c[nH+]1 ZINC000560499587 291105644 /nfs/dbraw/zinc/10/56/44/291105644.db2.gz LCKMBTVXUOQBNB-UHFFFAOYSA-N 1 2 256.269 0.327 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000609457520 363496534 /nfs/dbraw/zinc/49/65/34/363496534.db2.gz CKBRLNLFAUEJAL-AWEZNQCLSA-N 1 2 289.383 0.966 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000609661861 363513424 /nfs/dbraw/zinc/51/34/24/363513424.db2.gz XQLNVUMLLGJZCP-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000609661861 363513428 /nfs/dbraw/zinc/51/34/28/363513428.db2.gz XQLNVUMLLGJZCP-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](NC(N)=O)C3)n2c1 ZINC000355196740 356605838 /nfs/dbraw/zinc/60/58/38/356605838.db2.gz YWJRFRRSBUUDCC-NSHDSACASA-N 1 2 284.323 0.449 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](NC(N)=O)C3)n2c1 ZINC000355196740 356605841 /nfs/dbraw/zinc/60/58/41/356605841.db2.gz YWJRFRRSBUUDCC-NSHDSACASA-N 1 2 284.323 0.449 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000610342042 363551705 /nfs/dbraw/zinc/55/17/05/363551705.db2.gz KGTMMEARGCHITL-ZYHUDNBSSA-N 1 2 261.329 0.807 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000619715968 366332880 /nfs/dbraw/zinc/33/28/80/366332880.db2.gz DYRDOSZNAKQLKU-OLZOCXBDSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000619715968 366332886 /nfs/dbraw/zinc/33/28/86/366332886.db2.gz DYRDOSZNAKQLKU-OLZOCXBDSA-N 1 2 296.367 0.285 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000619716314 366334188 /nfs/dbraw/zinc/33/41/88/366334188.db2.gz JBMJSXGCVLTWEK-CHWSQXEVSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000619716314 366334193 /nfs/dbraw/zinc/33/41/93/366334193.db2.gz JBMJSXGCVLTWEK-CHWSQXEVSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000619722510 366342914 /nfs/dbraw/zinc/34/29/14/366342914.db2.gz FECRVCFMVPTUNT-LLVKDONJSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000619722600 366344452 /nfs/dbraw/zinc/34/44/52/366344452.db2.gz XCZPJHCSCMUQKH-YNEHKIRRSA-N 1 2 287.356 0.060 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000619722600 366344459 /nfs/dbraw/zinc/34/44/59/366344459.db2.gz XCZPJHCSCMUQKH-YNEHKIRRSA-N 1 2 287.356 0.060 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000610487744 363566357 /nfs/dbraw/zinc/56/63/57/363566357.db2.gz UBXAWWRYNDWBJI-ZDUSSCGKSA-N 1 2 263.345 0.896 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000610487744 363566360 /nfs/dbraw/zinc/56/63/60/363566360.db2.gz UBXAWWRYNDWBJI-ZDUSSCGKSA-N 1 2 263.345 0.896 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC#N)CC1 ZINC000368409703 357331967 /nfs/dbraw/zinc/33/19/67/357331967.db2.gz GWUABWSLUHSUAQ-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC#N)CC1 ZINC000368409703 357331970 /nfs/dbraw/zinc/33/19/70/357331970.db2.gz GWUABWSLUHSUAQ-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2snc(C)c2C#N)CC1 ZINC000377150328 357544050 /nfs/dbraw/zinc/54/40/50/357544050.db2.gz MDBPPWGPUSRBPB-UHFFFAOYSA-N 1 2 293.396 0.581 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2snc(C)c2C#N)CC1 ZINC000377150328 357544056 /nfs/dbraw/zinc/54/40/56/357544056.db2.gz MDBPPWGPUSRBPB-UHFFFAOYSA-N 1 2 293.396 0.581 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](C[C@H](C#N)CCC#N)CCN2C1=O ZINC000610605712 363586259 /nfs/dbraw/zinc/58/62/59/363586259.db2.gz WDEBDPZLTDNVAP-NWDGAFQWSA-N 1 2 289.339 0.398 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](C#N)CCC#N)CCN2C1=O ZINC000610605712 363586260 /nfs/dbraw/zinc/58/62/60/363586260.db2.gz WDEBDPZLTDNVAP-NWDGAFQWSA-N 1 2 289.339 0.398 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382633936 357714474 /nfs/dbraw/zinc/71/44/74/357714474.db2.gz MGUDATOEOLVRTC-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO COCCN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000407993849 357856455 /nfs/dbraw/zinc/85/64/55/357856455.db2.gz VCENACRWTDYIEH-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO COCCN1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000407993849 357856458 /nfs/dbraw/zinc/85/64/58/357856458.db2.gz VCENACRWTDYIEH-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408430705 358089900 /nfs/dbraw/zinc/08/99/00/358089900.db2.gz XFWXFIIANRMGPE-MFKMUULPSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408430705 358089906 /nfs/dbraw/zinc/08/99/06/358089906.db2.gz XFWXFIIANRMGPE-MFKMUULPSA-N 1 2 284.319 0.855 20 30 CCEDLO N#Cc1cncnc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000568387800 358669581 /nfs/dbraw/zinc/66/95/81/358669581.db2.gz QWZFUNUOLFOJQV-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO CC(=O)[C@](C)(O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562539210 291157999 /nfs/dbraw/zinc/15/79/99/291157999.db2.gz VGFNWVLVYSKCIG-OAHLLOKOSA-N 1 2 288.351 0.415 20 30 CCEDLO Cc1cc(N2CC(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000568622704 358690259 /nfs/dbraw/zinc/69/02/59/358690259.db2.gz RRZIMRMVZJMCKD-UHFFFAOYSA-N 1 2 251.311 0.495 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578416986 359049053 /nfs/dbraw/zinc/04/90/53/359049053.db2.gz KDCNKSGFKFJWAE-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000578416986 359049059 /nfs/dbraw/zinc/04/90/59/359049059.db2.gz KDCNKSGFKFJWAE-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO C[C@](C#N)(NC(=O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000590601155 359495846 /nfs/dbraw/zinc/49/58/46/359495846.db2.gz QUVGNEBSQDNGGF-CQSZACIVSA-N 1 2 273.340 0.576 20 30 CCEDLO N#Cc1ccc(CNC(=O)CN2CCn3c[nH+]cc3C2)cc1 ZINC000590599042 359496123 /nfs/dbraw/zinc/49/61/23/359496123.db2.gz FCEHNXVJAKLTIV-UHFFFAOYSA-N 1 2 295.346 0.887 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000590579217 359489179 /nfs/dbraw/zinc/48/91/79/359489179.db2.gz RIBUNGYNJRURIY-QMMMGPOBSA-N 1 2 285.804 0.748 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000590579217 359489181 /nfs/dbraw/zinc/48/91/81/359489181.db2.gz RIBUNGYNJRURIY-QMMMGPOBSA-N 1 2 285.804 0.748 20 30 CCEDLO Cc1ccc(C#N)nc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000590586142 359490902 /nfs/dbraw/zinc/49/09/02/359490902.db2.gz KSPLLFJJNMFDJM-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO COc1ccc(C[NH2+]CCC#N)cc1S(N)(=O)=O ZINC000591767479 359656259 /nfs/dbraw/zinc/65/62/59/359656259.db2.gz SAPCNUCUTXUAJI-UHFFFAOYSA-N 1 2 269.326 0.346 20 30 CCEDLO N#Cc1cncnc1NCC1([NH+]2CCOCC2)CC1 ZINC000591937085 359707514 /nfs/dbraw/zinc/70/75/14/359707514.db2.gz QXRVWONONXFPFI-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO Cc1nc(N2CC[C@](O)(CC#N)C2)nc(N(C)C)[nH+]1 ZINC000591974826 359716310 /nfs/dbraw/zinc/71/63/10/359716310.db2.gz LDZZEIWJHLSXOH-GFCCVEGCSA-N 1 2 262.317 0.101 20 30 CCEDLO Cc1nc(N(C)C)nc(N2CC[C@](O)(CC#N)C2)[nH+]1 ZINC000591974826 359716313 /nfs/dbraw/zinc/71/63/13/359716313.db2.gz LDZZEIWJHLSXOH-GFCCVEGCSA-N 1 2 262.317 0.101 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591997985 359723316 /nfs/dbraw/zinc/72/33/16/359723316.db2.gz GCCVTHCOLSFNKA-ZYHUDNBSSA-N 1 2 275.308 0.622 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592057613 359743946 /nfs/dbraw/zinc/74/39/46/359743946.db2.gz GFPYZRBRPPOTMC-UHFFFAOYSA-N 1 2 287.367 0.159 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)nc1 ZINC000592153040 359770621 /nfs/dbraw/zinc/77/06/21/359770621.db2.gz ICNNSNRDZXROCH-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)nc1 ZINC000592153040 359770625 /nfs/dbraw/zinc/77/06/25/359770625.db2.gz ICNNSNRDZXROCH-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147085 359765215 /nfs/dbraw/zinc/76/52/15/359765215.db2.gz LTGWGUDRKIJULG-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147085 359765219 /nfs/dbraw/zinc/76/52/19/359765219.db2.gz LTGWGUDRKIJULG-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO Cn1c(C[N@@H+]2CC[C@](O)(CC#N)C2)nc2ccccc2c1=O ZINC000592149151 359767382 /nfs/dbraw/zinc/76/73/82/359767382.db2.gz JQLJNOVXQFLNDL-MRXNPFEDSA-N 1 2 298.346 0.784 20 30 CCEDLO Cn1c(C[N@H+]2CC[C@](O)(CC#N)C2)nc2ccccc2c1=O ZINC000592149151 359767383 /nfs/dbraw/zinc/76/73/83/359767383.db2.gz JQLJNOVXQFLNDL-MRXNPFEDSA-N 1 2 298.346 0.784 20 30 CCEDLO N#Cc1nc(NC(=O)CC[C@@H]2CCC[NH2+]2)[nH]c1C#N ZINC000592259062 359806004 /nfs/dbraw/zinc/80/60/04/359806004.db2.gz ZMVVMZZJUYUUSC-QMMMGPOBSA-N 1 2 258.285 0.624 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175414 363672578 /nfs/dbraw/zinc/67/25/78/363672578.db2.gz CCSAMAHSQXWVNZ-ZDUSSCGKSA-N 1 2 266.389 0.678 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000611176276 363672703 /nfs/dbraw/zinc/67/27/03/363672703.db2.gz YECIGTMKTPCXQA-CQSZACIVSA-N 1 2 272.352 0.744 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000329530818 202371721 /nfs/dbraw/zinc/37/17/21/202371721.db2.gz VXRUJHOXSZFSKC-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000611253098 363697868 /nfs/dbraw/zinc/69/78/68/363697868.db2.gz XEULHWKIOWTAEZ-UHFFFAOYSA-N 1 2 276.340 0.357 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(C2CCC2)nn1 ZINC000593153137 360048445 /nfs/dbraw/zinc/04/84/45/360048445.db2.gz BXJOLOGISFAHOJ-CYBMUJFWSA-N 1 2 276.344 0.577 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2ncncc2C1 ZINC000593153633 360048812 /nfs/dbraw/zinc/04/88/12/360048812.db2.gz YHQPMXBMFZWZRK-NHYWBVRUSA-N 1 2 287.367 0.542 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593489295 360097505 /nfs/dbraw/zinc/09/75/05/360097505.db2.gz GKZJTZMTAINGCX-GFCCVEGCSA-N 1 2 274.324 0.513 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000593602121 360119032 /nfs/dbraw/zinc/11/90/32/360119032.db2.gz RVLFIUHKSHMLSO-GFCCVEGCSA-N 1 2 273.340 0.983 20 30 CCEDLO CC[C@H](C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000593668037 360132843 /nfs/dbraw/zinc/13/28/43/360132843.db2.gz CKZGPFXFMAVVLU-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658066 360356087 /nfs/dbraw/zinc/35/60/87/360356087.db2.gz JTBLLRQNVWGFOP-GFCCVEGCSA-N 1 2 291.355 0.795 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595445261 360533343 /nfs/dbraw/zinc/53/33/43/360533343.db2.gz WBVHQHDGTNMXEZ-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](NS(=O)(=O)c1cccnc1C#N)c1[nH+]ccn1C ZINC000595381995 360513837 /nfs/dbraw/zinc/51/38/37/360513837.db2.gz AWUMDSZMAWPECB-VIFPVBQESA-N 1 2 291.336 0.726 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000595493695 360550291 /nfs/dbraw/zinc/55/02/91/360550291.db2.gz HXZHFYCRFMJUOZ-GFCCVEGCSA-N 1 2 275.356 0.707 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595417 360592182 /nfs/dbraw/zinc/59/21/82/360592182.db2.gz HJAYCXCFWGOQLK-LLVKDONJSA-N 1 2 263.345 0.850 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595417 360592186 /nfs/dbraw/zinc/59/21/86/360592186.db2.gz HJAYCXCFWGOQLK-LLVKDONJSA-N 1 2 263.345 0.850 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COCCO1 ZINC000595738505 360634061 /nfs/dbraw/zinc/63/40/61/360634061.db2.gz JMSGHLZLBGZASC-CQSZACIVSA-N 1 2 289.335 0.844 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COCCO1 ZINC000595738505 360634066 /nfs/dbraw/zinc/63/40/66/360634066.db2.gz JMSGHLZLBGZASC-CQSZACIVSA-N 1 2 289.335 0.844 20 30 CCEDLO CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595814100 360665369 /nfs/dbraw/zinc/66/53/69/360665369.db2.gz QPDOWJOIGJKUFS-NWDGAFQWSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595814100 360665374 /nfs/dbraw/zinc/66/53/74/360665374.db2.gz QPDOWJOIGJKUFS-NWDGAFQWSA-N 1 2 273.402 0.892 20 30 CCEDLO N#Cc1cnnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000596112282 360797517 /nfs/dbraw/zinc/79/75/17/360797517.db2.gz MEVSNFULAKZUCY-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2cc(C#N)cnn2)CC1 ZINC000596114877 360798846 /nfs/dbraw/zinc/79/88/46/360798846.db2.gz IMZFGUNVOTXVBH-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO Cc1nc(N2CCN(c3c(C#N)cnn3C)CC2)cc[nH+]1 ZINC000596191779 360828324 /nfs/dbraw/zinc/82/83/24/360828324.db2.gz FRTRWFSKPAXMFC-UHFFFAOYSA-N 1 2 283.339 0.717 20 30 CCEDLO C[N@@H+]1CC[C@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596196093 360828988 /nfs/dbraw/zinc/82/89/88/360828988.db2.gz ISCVCPDUXWURCY-JTQLQIEISA-N 1 2 272.761 0.569 20 30 CCEDLO C[N@H+]1CC[C@](O)(CNc2nc(C#N)c(Cl)s2)C1 ZINC000596196093 360828995 /nfs/dbraw/zinc/82/89/95/360828995.db2.gz ISCVCPDUXWURCY-JTQLQIEISA-N 1 2 272.761 0.569 20 30 CCEDLO Cc1cc(NC[C@@H]2CCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000596232713 360845940 /nfs/dbraw/zinc/84/59/40/360845940.db2.gz SOPXSOOVCXDCTG-JTQLQIEISA-N 1 2 259.313 0.496 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000597160693 361018317 /nfs/dbraw/zinc/01/83/17/361018317.db2.gz DSWXKAQPYPFAKI-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000597262343 361044793 /nfs/dbraw/zinc/04/47/93/361044793.db2.gz XJMFQVKRUGDXRF-GHMZBOCLSA-N 1 2 284.323 0.694 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000597272936 361047484 /nfs/dbraw/zinc/04/74/84/361047484.db2.gz AQFYGKPDIWTFOT-LBPRGKRZSA-N 1 2 273.340 0.113 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476451 361107677 /nfs/dbraw/zinc/10/76/77/361107677.db2.gz LKMYFMLFQHWPGL-UWVGGRQHSA-N 1 2 276.365 0.982 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476451 361107681 /nfs/dbraw/zinc/10/76/81/361107681.db2.gz LKMYFMLFQHWPGL-UWVGGRQHSA-N 1 2 276.365 0.982 20 30 CCEDLO C[C@H](CC#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000597646978 361172856 /nfs/dbraw/zinc/17/28/56/361172856.db2.gz IQOVKTGYUBVIGO-AGIUHOORSA-N 1 2 265.357 0.858 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000597741687 361223237 /nfs/dbraw/zinc/22/32/37/361223237.db2.gz PLCCVSOZQZLHEH-KBPBESRZSA-N 1 2 291.326 0.791 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000597741687 361223244 /nfs/dbraw/zinc/22/32/44/361223244.db2.gz PLCCVSOZQZLHEH-KBPBESRZSA-N 1 2 291.326 0.791 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598603917 361456386 /nfs/dbraw/zinc/45/63/86/361456386.db2.gz LNIVTWWKNXPMEM-GFCCVEGCSA-N 1 2 267.373 0.840 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598603917 361456389 /nfs/dbraw/zinc/45/63/89/361456389.db2.gz LNIVTWWKNXPMEM-GFCCVEGCSA-N 1 2 267.373 0.840 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598604857 361456556 /nfs/dbraw/zinc/45/65/56/361456556.db2.gz AREGJUOFWSFNAX-QWRGUYRKSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598604857 361456559 /nfs/dbraw/zinc/45/65/59/361456559.db2.gz AREGJUOFWSFNAX-QWRGUYRKSA-N 1 2 253.346 0.450 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599390257 361681270 /nfs/dbraw/zinc/68/12/70/361681270.db2.gz JGHVTRUYMYEEJW-DGCLKSJQSA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599390257 361681271 /nfs/dbraw/zinc/68/12/71/361681271.db2.gz JGHVTRUYMYEEJW-DGCLKSJQSA-N 1 2 292.335 0.791 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000613272017 364192850 /nfs/dbraw/zinc/19/28/50/364192850.db2.gz VQWOANWQUDWMMX-GFCCVEGCSA-N 1 2 299.396 0.026 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000614407883 364596644 /nfs/dbraw/zinc/59/66/44/364596644.db2.gz ZMTKIACKCGEYIT-HNNXBMFYSA-N 1 2 275.352 0.976 20 30 CCEDLO Cc1onc(CC(=O)NCc2c[nH+]c(C)nc2N)c1C#N ZINC000565023423 291336569 /nfs/dbraw/zinc/33/65/69/291336569.db2.gz DYAYKMCQYDRXGF-UHFFFAOYSA-N 1 2 286.295 0.225 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626449076 368547851 /nfs/dbraw/zinc/54/78/51/368547851.db2.gz VSIVRQQESAJKGC-NWDGAFQWSA-N 1 2 263.341 0.807 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000276104229 193214582 /nfs/dbraw/zinc/21/45/82/193214582.db2.gz JKYZQCOTVKCABZ-HNNXBMFYSA-N 1 2 281.400 0.869 20 30 CCEDLO N#Cc1nc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[nH]c1C#N ZINC000567350440 291476332 /nfs/dbraw/zinc/47/63/32/291476332.db2.gz HVQGBDKNPAIBKC-JMCQJSRRSA-N 1 2 256.269 0.091 20 30 CCEDLO C=C(C)CN(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637446382 374172915 /nfs/dbraw/zinc/17/29/15/374172915.db2.gz ROVDMPYJNKAVAM-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C=C(C)CN(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637446382 374172917 /nfs/dbraw/zinc/17/29/17/374172917.db2.gz ROVDMPYJNKAVAM-GFCCVEGCSA-N 1 2 255.362 0.925 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1cccnc1 ZINC000092914209 261484905 /nfs/dbraw/zinc/48/49/05/261484905.db2.gz KIPSZZCUIJJEBX-JTQLQIEISA-N 1 2 260.297 0.051 20 30 CCEDLO C=CCCC(C)(C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638429841 375028176 /nfs/dbraw/zinc/02/81/76/375028176.db2.gz AWDLRQWJVZHWSF-NSHDSACASA-N 1 2 267.373 0.668 20 30 CCEDLO N#Cc1ccnc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000258947818 190038306 /nfs/dbraw/zinc/03/83/06/190038306.db2.gz LJLJFZUCNYSDKV-UHFFFAOYSA-N 1 2 260.297 0.015 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)[nH]c(C3CC3)n2)nn1 ZINC000641048532 376713880 /nfs/dbraw/zinc/71/38/80/376713880.db2.gz RBLQQNCBYXIRSJ-UHFFFAOYSA-N 1 2 298.350 0.812 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccnc2OC)nn1 ZINC000641078321 376746319 /nfs/dbraw/zinc/74/63/19/376746319.db2.gz APXGQDUXCSWZJU-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2CC(C)C)nn1 ZINC000641158187 376821280 /nfs/dbraw/zinc/82/12/80/376821280.db2.gz IBSHULPOYWMSIX-UHFFFAOYSA-N 1 2 287.371 0.687 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178748 376851488 /nfs/dbraw/zinc/85/14/88/376851488.db2.gz AZVWDLAEKFMGJW-SECBINFHSA-N 1 2 259.317 0.427 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178748 376851493 /nfs/dbraw/zinc/85/14/93/376851493.db2.gz AZVWDLAEKFMGJW-SECBINFHSA-N 1 2 259.317 0.427 20 30 CCEDLO C=CCNC(=O)CN1CCN(c2cc[nH+]cc2F)CC1 ZINC000641269029 376953958 /nfs/dbraw/zinc/95/39/58/376953958.db2.gz KWGYVPATXFCHPP-UHFFFAOYSA-N 1 2 278.331 0.645 20 30 CCEDLO C=CCC[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641526931 377223850 /nfs/dbraw/zinc/22/38/50/377223850.db2.gz YTDAHSHZWIPZFG-NSHDSACASA-N 1 2 273.358 0.130 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1cnccc1C#N ZINC000517806820 249232586 /nfs/dbraw/zinc/23/25/86/249232586.db2.gz IFBIJAVIAHZVJL-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000657088859 412885396 /nfs/dbraw/zinc/88/53/96/412885396.db2.gz GPYFGBBMEAKMRA-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000657088859 412885400 /nfs/dbraw/zinc/88/54/00/412885400.db2.gz GPYFGBBMEAKMRA-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(N)=O ZINC000266962988 190293933 /nfs/dbraw/zinc/29/39/33/190293933.db2.gz XEKUNLSCYQDPAX-UHFFFAOYSA-N 1 2 259.309 0.679 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(N)=O ZINC000266962988 190293934 /nfs/dbraw/zinc/29/39/34/190293934.db2.gz XEKUNLSCYQDPAX-UHFFFAOYSA-N 1 2 259.309 0.679 20 30 CCEDLO C#CCN(CC)CCS(=O)(=O)CC[N@H+](CC)CC#C ZINC000267333401 190321532 /nfs/dbraw/zinc/32/15/32/190321532.db2.gz RAUSCPXBCCZDHT-UHFFFAOYSA-N 1 2 284.425 0.311 20 30 CCEDLO C#CCN(CC)CCS(=O)(=O)CC[N@@H+](CC)CC#C ZINC000267333401 190321533 /nfs/dbraw/zinc/32/15/33/190321533.db2.gz RAUSCPXBCCZDHT-UHFFFAOYSA-N 1 2 284.425 0.311 20 30 CCEDLO C[C@H]1C[NH+](CCn2c(N)nc(C#N)c2C#N)C[C@H](C)O1 ZINC000571938588 291848442 /nfs/dbraw/zinc/84/84/42/291848442.db2.gz CKYFWFHZAKHCLA-UWVGGRQHSA-N 1 2 274.328 0.148 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000025621439 388816823 /nfs/dbraw/zinc/81/68/23/388816823.db2.gz DBULUYOLFBJQKZ-QMMMGPOBSA-N 1 2 295.368 0.860 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000187712968 388893338 /nfs/dbraw/zinc/89/33/38/388893338.db2.gz AOAQALNDMROBFA-BXUZGUMPSA-N 1 2 298.346 0.262 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000187712968 388893342 /nfs/dbraw/zinc/89/33/42/388893342.db2.gz AOAQALNDMROBFA-BXUZGUMPSA-N 1 2 298.346 0.262 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C(C)C ZINC000291483133 388922921 /nfs/dbraw/zinc/92/29/21/388922921.db2.gz FYHUFMREHLUHRK-NSHDSACASA-N 1 2 284.385 0.285 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCNC(=O)CC1 ZINC000054257996 388930030 /nfs/dbraw/zinc/93/00/30/388930030.db2.gz ANVBZYLLQJLASL-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCNC(=O)CC1 ZINC000054257996 388930036 /nfs/dbraw/zinc/93/00/36/388930036.db2.gz ANVBZYLLQJLASL-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCNC(=O)CC1 ZINC000054257998 388930657 /nfs/dbraw/zinc/93/06/57/388930657.db2.gz ANVBZYLLQJLASL-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCNC(=O)CC1 ZINC000054257998 388930661 /nfs/dbraw/zinc/93/06/61/388930661.db2.gz ANVBZYLLQJLASL-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000056508969 388931531 /nfs/dbraw/zinc/93/15/31/388931531.db2.gz TWQJRYQMTOBUOV-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000056508969 388931533 /nfs/dbraw/zinc/93/15/33/388931533.db2.gz TWQJRYQMTOBUOV-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000057906256 388934194 /nfs/dbraw/zinc/93/41/94/388934194.db2.gz MLANWQSBYCTQSA-UHFFFAOYSA-N 1 2 292.383 0.351 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000188707352 388938562 /nfs/dbraw/zinc/93/85/62/388938562.db2.gz UPZMBFVVLIXQNI-OCCSQVGLSA-N 1 2 251.374 0.705 20 30 CCEDLO C#CCN(Cc1[nH+]ccn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000066538714 388945246 /nfs/dbraw/zinc/94/52/46/388945246.db2.gz YJMAJQLSAJQHSV-LBPRGKRZSA-N 1 2 281.381 0.525 20 30 CCEDLO N#CCNC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000066496551 388945700 /nfs/dbraw/zinc/94/57/00/388945700.db2.gz AOSKJRVQANOIAH-ZDUSSCGKSA-N 1 2 277.324 0.900 20 30 CCEDLO N#CCNC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000066496551 388945705 /nfs/dbraw/zinc/94/57/05/388945705.db2.gz AOSKJRVQANOIAH-ZDUSSCGKSA-N 1 2 277.324 0.900 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@](C)(CCC)C(=O)OC ZINC000293274260 388980398 /nfs/dbraw/zinc/98/03/98/388980398.db2.gz YCSLTJGBCXDUSD-CYBMUJFWSA-N 1 2 254.330 0.447 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(CC)n2)CC1 ZINC000293248255 388981267 /nfs/dbraw/zinc/98/12/67/388981267.db2.gz BJLISCGLJNIHCG-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000192237631 389029355 /nfs/dbraw/zinc/02/93/55/389029355.db2.gz OBTOIZJGEIDHPE-GFCCVEGCSA-N 1 2 266.341 0.496 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000192237631 389029360 /nfs/dbraw/zinc/02/93/60/389029360.db2.gz OBTOIZJGEIDHPE-GFCCVEGCSA-N 1 2 266.341 0.496 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000337980976 389071758 /nfs/dbraw/zinc/07/17/58/389071758.db2.gz TVWAYTSPPVWNEE-GFCCVEGCSA-N 1 2 261.325 0.979 20 30 CCEDLO CC(C)c1nc(N2CC(O)(CC#N)C2)nc(N(C)C)[nH+]1 ZINC000302482517 389072124 /nfs/dbraw/zinc/07/21/24/389072124.db2.gz WURVVFODSDSANG-UHFFFAOYSA-N 1 2 276.344 0.526 20 30 CCEDLO CS(=O)(=O)CCCO[NH+]=C(N)COc1ccccc1 ZINC000103135799 389075900 /nfs/dbraw/zinc/07/59/00/389075900.db2.gz NXGQFRUIYNJDAX-UHFFFAOYSA-N 1 2 286.353 0.789 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000103147108 389076078 /nfs/dbraw/zinc/07/60/78/389076078.db2.gz HYNLXFGTASXVJF-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000103147108 389076080 /nfs/dbraw/zinc/07/60/80/389076080.db2.gz HYNLXFGTASXVJF-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000120390609 389142995 /nfs/dbraw/zinc/14/29/95/389142995.db2.gz LPDZVAVXDWJNJR-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C[C@H](NC(=O)NCCC1(O)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000328881241 389143297 /nfs/dbraw/zinc/14/32/97/389143297.db2.gz MDOBWJPGFUTCPO-STQMWFEESA-N 1 2 299.415 0.904 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1CC1 ZINC000328903889 389144526 /nfs/dbraw/zinc/14/45/26/389144526.db2.gz INIQBAGHQCYFOY-VIFPVBQESA-N 1 2 266.301 0.429 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1CC1 ZINC000328903889 389144527 /nfs/dbraw/zinc/14/45/27/389144527.db2.gz INIQBAGHQCYFOY-VIFPVBQESA-N 1 2 266.301 0.429 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121132637 389146536 /nfs/dbraw/zinc/14/65/36/389146536.db2.gz DTVDHVPQTBVSTM-JSGCOSHPSA-N 1 2 272.352 0.743 20 30 CCEDLO Cc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nnn1C(C)C ZINC000328950375 389146979 /nfs/dbraw/zinc/14/69/79/389146979.db2.gz LFRPLUDMAYHGDW-LBPRGKRZSA-N 1 2 292.387 0.472 20 30 CCEDLO N#CCCCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000109340864 389099868 /nfs/dbraw/zinc/09/98/68/389099868.db2.gz XQXHXEIEJLAANU-UHFFFAOYSA-N 1 2 271.386 0.790 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121375408 389148212 /nfs/dbraw/zinc/14/82/12/389148212.db2.gz YJXZBKIIZWRWCY-OAHLLOKOSA-N 1 2 286.379 0.957 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328729048 389134452 /nfs/dbraw/zinc/13/44/52/389134452.db2.gz FFLBIGFLWYLFHD-VHSXEESVSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328729048 389134455 /nfs/dbraw/zinc/13/44/55/389134455.db2.gz FFLBIGFLWYLFHD-VHSXEESVSA-N 1 2 293.327 0.046 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000357946156 389140706 /nfs/dbraw/zinc/14/07/06/389140706.db2.gz OYLBHIKJPJZTRJ-LLVKDONJSA-N 1 2 296.371 0.473 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000357946156 389140707 /nfs/dbraw/zinc/14/07/07/389140707.db2.gz OYLBHIKJPJZTRJ-LLVKDONJSA-N 1 2 296.371 0.473 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000360956952 389205778 /nfs/dbraw/zinc/20/57/78/389205778.db2.gz JHWRDWBFANGVLQ-STQMWFEESA-N 1 2 253.342 0.993 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000360956952 389205780 /nfs/dbraw/zinc/20/57/80/389205780.db2.gz JHWRDWBFANGVLQ-STQMWFEESA-N 1 2 253.342 0.993 20 30 CCEDLO Cn1cc([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1=O ZINC000329722544 389192289 /nfs/dbraw/zinc/19/22/89/389192289.db2.gz BANCLHRLAPQAAT-VIFPVBQESA-N 1 2 287.323 0.992 20 30 CCEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC(F)C1 ZINC000329760340 389197313 /nfs/dbraw/zinc/19/73/13/389197313.db2.gz QBDYTULZKUBEMU-UHFFFAOYSA-N 1 2 294.330 0.986 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342236834 389202375 /nfs/dbraw/zinc/20/23/75/389202375.db2.gz BITQIBBQOGFKOL-GRYCIOLGSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@@H]1CCOC1 ZINC000329809590 389203514 /nfs/dbraw/zinc/20/35/14/389203514.db2.gz QDSRYRAFNKNXNR-LOWDOPEQSA-N 1 2 283.372 0.340 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@@H]1CCOC1 ZINC000329809590 389203516 /nfs/dbraw/zinc/20/35/16/389203516.db2.gz QDSRYRAFNKNXNR-LOWDOPEQSA-N 1 2 283.372 0.340 20 30 CCEDLO CC(=O)N1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329334165 389157299 /nfs/dbraw/zinc/15/72/99/389157299.db2.gz NWDUBPKGPNYVCY-ZDUSSCGKSA-N 1 2 295.383 0.819 20 30 CCEDLO O=C(CN1CCn2cc[nH+]c2C1)NC[C@H]1CCCO1 ZINC000329354752 389159047 /nfs/dbraw/zinc/15/90/47/389159047.db2.gz VNQNMHKAXSLSLH-LLVKDONJSA-N 1 2 264.329 0.834 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC(=O)NC1CC1 ZINC000329413703 389162382 /nfs/dbraw/zinc/16/23/82/389162382.db2.gz DUPRETMIHDGTGY-MRVPVSSYSA-N 1 2 295.299 0.096 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC(=O)NC1CC1 ZINC000329413703 389162383 /nfs/dbraw/zinc/16/23/83/389162383.db2.gz DUPRETMIHDGTGY-MRVPVSSYSA-N 1 2 295.299 0.096 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000358945487 389163772 /nfs/dbraw/zinc/16/37/72/389163772.db2.gz ZDOQRUWLVAGOHV-LLVKDONJSA-N 1 2 266.345 0.885 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000359150807 389167649 /nfs/dbraw/zinc/16/76/49/389167649.db2.gz RDEKUQFXNAGXKA-UWVGGRQHSA-N 1 2 250.302 0.044 20 30 CCEDLO CN1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000329595740 389173162 /nfs/dbraw/zinc/17/31/62/389173162.db2.gz BWLBUCAXFZVSHA-NSHDSACASA-N 1 2 289.339 0.306 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000128484440 389177508 /nfs/dbraw/zinc/17/75/08/389177508.db2.gz BSRHAVVMFYYZID-LBPRGKRZSA-N 1 2 267.373 0.596 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000128484440 389177509 /nfs/dbraw/zinc/17/75/09/389177509.db2.gz BSRHAVVMFYYZID-LBPRGKRZSA-N 1 2 267.373 0.596 20 30 CCEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330573709 389242191 /nfs/dbraw/zinc/24/21/91/389242191.db2.gz NWLJMYVEFRYBAG-LLVKDONJSA-N 1 2 293.371 0.825 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000330611617 389246581 /nfs/dbraw/zinc/24/65/81/389246581.db2.gz VYGKVZNUMXDURD-NSHDSACASA-N 1 2 281.356 0.537 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000330611617 389246582 /nfs/dbraw/zinc/24/65/82/389246582.db2.gz VYGKVZNUMXDURD-NSHDSACASA-N 1 2 281.356 0.537 20 30 CCEDLO C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH+]1CCOCC1 ZINC000330620426 389247336 /nfs/dbraw/zinc/24/73/36/389247336.db2.gz KGNPCSNOMOQWSR-NSHDSACASA-N 1 2 293.371 0.568 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248622358 389247556 /nfs/dbraw/zinc/24/75/56/389247556.db2.gz MEBBBCPPJXLITN-HZSPNIEDSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248622358 389247558 /nfs/dbraw/zinc/24/75/58/389247558.db2.gz MEBBBCPPJXLITN-HZSPNIEDSA-N 1 2 297.399 0.466 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363616776 389251632 /nfs/dbraw/zinc/25/16/32/389251632.db2.gz PWGOGHBBPQZKSP-GHMZBOCLSA-N 1 2 267.329 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363616776 389251633 /nfs/dbraw/zinc/25/16/33/389251633.db2.gz PWGOGHBBPQZKSP-GHMZBOCLSA-N 1 2 267.329 0.252 20 30 CCEDLO C[N@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1CCSC1 ZINC000135560541 389259202 /nfs/dbraw/zinc/25/92/02/389259202.db2.gz GMVAZHCENVQZAX-QMMMGPOBSA-N 1 2 290.352 0.529 20 30 CCEDLO C[N@@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1CCSC1 ZINC000135560541 389259205 /nfs/dbraw/zinc/25/92/05/389259205.db2.gz GMVAZHCENVQZAX-QMMMGPOBSA-N 1 2 290.352 0.529 20 30 CCEDLO CO[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCOC1 ZINC000329874080 389207864 /nfs/dbraw/zinc/20/78/64/389207864.db2.gz CONLNBIUFFCJIZ-AWEZNQCLSA-N 1 2 284.356 0.613 20 30 CCEDLO CC(=O)NC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329891892 389208488 /nfs/dbraw/zinc/20/84/88/389208488.db2.gz INHVHXZXNVJCMN-JTQLQIEISA-N 1 2 262.313 0.633 20 30 CCEDLO C[C@@H]1OCC[C@]12CN(C(=O)NCc1[nH+]ccn1C)CCO2 ZINC000329898972 389209113 /nfs/dbraw/zinc/20/91/13/389209113.db2.gz FDJGBYRXKYJWAM-FZMZJTMJSA-N 1 2 294.355 0.714 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000342528641 389220151 /nfs/dbraw/zinc/22/01/51/389220151.db2.gz OZJMYHYJRMISSF-LBPRGKRZSA-N 1 2 290.367 0.818 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000361959384 389226956 /nfs/dbraw/zinc/22/69/56/389226956.db2.gz ZGTIFPOHXSEAOL-SNVBAGLBSA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000361959384 389226957 /nfs/dbraw/zinc/22/69/57/389226957.db2.gz ZGTIFPOHXSEAOL-SNVBAGLBSA-N 1 2 297.355 0.414 20 30 CCEDLO CC[C@@H](C(=O)N[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330435044 389228911 /nfs/dbraw/zinc/22/89/11/389228911.db2.gz ABVMKZJBIVULCE-UTUOFQBUSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@@H](C(=O)N[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330435044 389228912 /nfs/dbraw/zinc/22/89/12/389228912.db2.gz ABVMKZJBIVULCE-UTUOFQBUSA-N 1 2 253.346 0.904 20 30 CCEDLO CN(C)C(=O)NCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000330460901 389231828 /nfs/dbraw/zinc/23/18/28/389231828.db2.gz RMGQEJYYVHPFIT-UHFFFAOYSA-N 1 2 281.360 0.287 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](CO)C1 ZINC000330462817 389232255 /nfs/dbraw/zinc/23/22/55/389232255.db2.gz TXPWGXWLHBYJKS-LLVKDONJSA-N 1 2 252.318 0.501 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC[C@@H](CO)C1 ZINC000330462817 389232260 /nfs/dbraw/zinc/23/22/60/389232260.db2.gz TXPWGXWLHBYJKS-LLVKDONJSA-N 1 2 252.318 0.501 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000133291890 389233361 /nfs/dbraw/zinc/23/33/61/389233361.db2.gz FHUHXRDOAUSSQZ-UHFFFAOYSA-N 1 2 259.309 0.156 20 30 CCEDLO COc1cnc(NC(=O)NCC[NH+]2CCOCC2)s1 ZINC000330491015 389235483 /nfs/dbraw/zinc/23/54/83/389235483.db2.gz OMEWWISMPXYOMI-UHFFFAOYSA-N 1 2 286.357 0.810 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330511468 389237053 /nfs/dbraw/zinc/23/70/53/389237053.db2.gz FBQUGLYWCNUWTI-SUNKGSAMSA-N 1 2 295.387 0.586 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330511468 389237056 /nfs/dbraw/zinc/23/70/56/389237056.db2.gz FBQUGLYWCNUWTI-SUNKGSAMSA-N 1 2 295.387 0.586 20 30 CCEDLO C#CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367038181 389315197 /nfs/dbraw/zinc/31/51/97/389315197.db2.gz OFVYYFHWYKMKSX-UHFFFAOYSA-N 1 2 264.350 0.901 20 30 CCEDLO C#CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367038181 389315199 /nfs/dbraw/zinc/31/51/99/389315199.db2.gz OFVYYFHWYKMKSX-UHFFFAOYSA-N 1 2 264.350 0.901 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000155329757 389318507 /nfs/dbraw/zinc/31/85/07/389318507.db2.gz YBJFFEGNASIXOI-GFCCVEGCSA-N 1 2 254.378 0.450 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156188425 389324429 /nfs/dbraw/zinc/32/44/29/389324429.db2.gz BOGLVAYTRLWYBA-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156188425 389324432 /nfs/dbraw/zinc/32/44/32/389324432.db2.gz BOGLVAYTRLWYBA-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000156556975 389325905 /nfs/dbraw/zinc/32/59/05/389325905.db2.gz OIPGTVSWWUZMRN-UHFFFAOYSA-N 1 2 290.342 0.697 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456396 389329342 /nfs/dbraw/zinc/32/93/42/389329342.db2.gz OMAWYBHBLAVOTG-UONOGXRCSA-N 1 2 291.395 0.882 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456396 389329345 /nfs/dbraw/zinc/32/93/45/389329345.db2.gz OMAWYBHBLAVOTG-UONOGXRCSA-N 1 2 291.395 0.882 20 30 CCEDLO COCCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346493727 389329885 /nfs/dbraw/zinc/32/98/85/389329885.db2.gz XFAGDESJTFRLIK-UHFFFAOYSA-N 1 2 297.399 0.878 20 30 CCEDLO N#C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000264487261 389331844 /nfs/dbraw/zinc/33/18/44/389331844.db2.gz NHUFCNHQUITVAB-LBPRGKRZSA-N 1 2 270.292 0.628 20 30 CCEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C#N)CC1 ZINC000145649881 389272986 /nfs/dbraw/zinc/27/29/86/389272986.db2.gz YTWVGZJGJRUKOE-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000330993576 389276260 /nfs/dbraw/zinc/27/62/60/389276260.db2.gz NPRVSUQICICISA-STQMWFEESA-N 1 2 291.399 0.779 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000330993576 389276261 /nfs/dbraw/zinc/27/62/61/389276261.db2.gz NPRVSUQICICISA-STQMWFEESA-N 1 2 291.399 0.779 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000331006989 389280669 /nfs/dbraw/zinc/28/06/69/389280669.db2.gz ZYEXPURMMDROIE-SNVBAGLBSA-N 1 2 264.329 0.870 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000331006989 389280671 /nfs/dbraw/zinc/28/06/71/389280671.db2.gz ZYEXPURMMDROIE-SNVBAGLBSA-N 1 2 264.329 0.870 20 30 CCEDLO C=CCOCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000365785852 389286810 /nfs/dbraw/zinc/28/68/10/389286810.db2.gz XLFXIBXDTQMINS-AWEZNQCLSA-N 1 2 297.399 0.695 20 30 CCEDLO C=CCNC(=O)CN1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000348396951 389376422 /nfs/dbraw/zinc/37/64/22/389376422.db2.gz GPAVOEWJOPWEBV-LBPRGKRZSA-N 1 2 277.372 0.391 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348414711 389377083 /nfs/dbraw/zinc/37/70/83/389377083.db2.gz XVWRSZGQRGHHDG-JTQLQIEISA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348414711 389377090 /nfs/dbraw/zinc/37/70/90/389377090.db2.gz XVWRSZGQRGHHDG-JTQLQIEISA-N 1 2 279.344 0.252 20 30 CCEDLO Cc1cc(N2CCC[C@]3(C2)NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000333385118 389411140 /nfs/dbraw/zinc/41/11/40/389411140.db2.gz CAOKHHBFBQVIBK-CQSZACIVSA-N 1 2 285.307 0.440 20 30 CCEDLO N#CCN1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000265811033 389361569 /nfs/dbraw/zinc/36/15/69/389361569.db2.gz ZWPYICCATUUCNV-UHFFFAOYSA-N 1 2 269.308 0.616 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170862966 389466335 /nfs/dbraw/zinc/46/63/35/389466335.db2.gz QTEAYZNXSQLVKU-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170862966 389466336 /nfs/dbraw/zinc/46/63/36/389466336.db2.gz QTEAYZNXSQLVKU-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411230601 389421510 /nfs/dbraw/zinc/42/15/10/389421510.db2.gz ZEADNDWXYWHXQC-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)CC1 ZINC000270956816 389436955 /nfs/dbraw/zinc/43/69/55/389436955.db2.gz PWOMLPPHDUYJBV-UHFFFAOYSA-N 1 2 288.399 0.816 20 30 CCEDLO CC(C)OC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119879 389444359 /nfs/dbraw/zinc/44/43/59/389444359.db2.gz HOVONNVKNHHAKO-ZIAGYGMSSA-N 1 2 297.399 0.873 20 30 CCEDLO CC(C)OC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119879 389444361 /nfs/dbraw/zinc/44/43/61/389444361.db2.gz HOVONNVKNHHAKO-ZIAGYGMSSA-N 1 2 297.399 0.873 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000274839305 389507250 /nfs/dbraw/zinc/50/72/50/389507250.db2.gz TYXSHCLCCJNPHS-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000373797633 389516284 /nfs/dbraw/zinc/51/62/84/389516284.db2.gz OTBGQTGIAJHFAR-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000373797633 389516289 /nfs/dbraw/zinc/51/62/89/389516289.db2.gz OTBGQTGIAJHFAR-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276719593 389533475 /nfs/dbraw/zinc/53/34/75/389533475.db2.gz FDWNGWQWHSANGV-ZDUSSCGKSA-N 1 2 265.288 0.984 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276719593 389533477 /nfs/dbraw/zinc/53/34/77/389533477.db2.gz FDWNGWQWHSANGV-ZDUSSCGKSA-N 1 2 265.288 0.984 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803826 389544364 /nfs/dbraw/zinc/54/43/64/389544364.db2.gz VPSIRHVGGNUISC-WDEREUQCSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)N(C)CCC#N ZINC000350803826 389544366 /nfs/dbraw/zinc/54/43/66/389544366.db2.gz VPSIRHVGGNUISC-WDEREUQCSA-N 1 2 274.390 0.101 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000276889855 389551161 /nfs/dbraw/zinc/55/11/61/389551161.db2.gz BVCZTDINIYTGQY-UHFFFAOYSA-N 1 2 289.291 0.628 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000276889855 389551163 /nfs/dbraw/zinc/55/11/63/389551163.db2.gz BVCZTDINIYTGQY-UHFFFAOYSA-N 1 2 289.291 0.628 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCC(C)C)C1=O ZINC000281343392 389614075 /nfs/dbraw/zinc/61/40/75/389614075.db2.gz MPWFVQGHUUIPKU-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCC(C)C)C1=O ZINC000281343392 389614079 /nfs/dbraw/zinc/61/40/79/389614079.db2.gz MPWFVQGHUUIPKU-OLZOCXBDSA-N 1 2 281.400 0.866 20 30 CCEDLO CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000351601943 389627817 /nfs/dbraw/zinc/62/78/17/389627817.db2.gz HFQYZSBKINSFGN-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178307472 389601623 /nfs/dbraw/zinc/60/16/23/389601623.db2.gz QUDUKNDJDZCBIV-LSDHHAIUSA-N 1 2 284.363 0.757 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000281035020 389608006 /nfs/dbraw/zinc/60/80/06/389608006.db2.gz PMJAAIPFHMYOEW-UHFFFAOYSA-N 1 2 263.341 0.568 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000281035020 389608008 /nfs/dbraw/zinc/60/80/08/389608008.db2.gz PMJAAIPFHMYOEW-UHFFFAOYSA-N 1 2 263.341 0.568 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000182951452 389721477 /nfs/dbraw/zinc/72/14/77/389721477.db2.gz FEXKYGBRFGQIHI-LBPRGKRZSA-N 1 2 278.356 0.884 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccco2)C1=O ZINC000282138910 389658241 /nfs/dbraw/zinc/65/82/41/389658241.db2.gz ZJPWMOQMLYFTMF-CYBMUJFWSA-N 1 2 291.351 0.615 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccco2)C1=O ZINC000282138910 389658244 /nfs/dbraw/zinc/65/82/44/389658244.db2.gz ZJPWMOQMLYFTMF-CYBMUJFWSA-N 1 2 291.351 0.615 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000282231744 389659030 /nfs/dbraw/zinc/65/90/30/389659030.db2.gz FNEDZTSOMDLZOF-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000282231744 389659032 /nfs/dbraw/zinc/65/90/32/389659032.db2.gz FNEDZTSOMDLZOF-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCNC1=O ZINC000282225978 389659049 /nfs/dbraw/zinc/65/90/49/389659049.db2.gz FGZFBNIUBNODAM-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCNC1=O ZINC000282225978 389659052 /nfs/dbraw/zinc/65/90/52/389659052.db2.gz FGZFBNIUBNODAM-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181306991 389684310 /nfs/dbraw/zinc/68/43/10/389684310.db2.gz WAGUVJPXWFLENZ-BDAKNGLRSA-N 1 2 281.278 0.602 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181306991 389684312 /nfs/dbraw/zinc/68/43/12/389684312.db2.gz WAGUVJPXWFLENZ-BDAKNGLRSA-N 1 2 281.278 0.602 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000351804356 389686630 /nfs/dbraw/zinc/68/66/30/389686630.db2.gz AFIVEKJMBWGPEK-SMDDNHRTSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000351804356 389686634 /nfs/dbraw/zinc/68/66/34/389686634.db2.gz AFIVEKJMBWGPEK-SMDDNHRTSA-N 1 2 294.376 0.645 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375661505 389697494 /nfs/dbraw/zinc/69/74/94/389697494.db2.gz VRQCBYALMPNYCM-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375661505 389697496 /nfs/dbraw/zinc/69/74/96/389697496.db2.gz VRQCBYALMPNYCM-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352372629 389800070 /nfs/dbraw/zinc/80/00/70/389800070.db2.gz UVTXMUAOXYTVAK-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352372629 389800073 /nfs/dbraw/zinc/80/00/73/389800073.db2.gz UVTXMUAOXYTVAK-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430259849 389790768 /nfs/dbraw/zinc/79/07/68/389790768.db2.gz FWBYDHCBMZTSET-MNOVXSKESA-N 1 2 261.329 0.999 20 30 CCEDLO Cn1cc(-c2ncc(C[NH+]3CCN(CC#N)CC3)cn2)cn1 ZINC000376567716 389739126 /nfs/dbraw/zinc/73/91/26/389739126.db2.gz ZKAUJGQZVPYONK-UHFFFAOYSA-N 1 2 297.366 0.518 20 30 CCEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416419659 389740584 /nfs/dbraw/zinc/74/05/84/389740584.db2.gz UCANHHYVNXLOTI-LBPRGKRZSA-N 1 2 289.401 0.271 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352398829 389804711 /nfs/dbraw/zinc/80/47/11/389804711.db2.gz QDEYGTZQKIUHJK-SNVBAGLBSA-N 1 2 267.720 0.423 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352398829 389804713 /nfs/dbraw/zinc/80/47/13/389804713.db2.gz QDEYGTZQKIUHJK-SNVBAGLBSA-N 1 2 267.720 0.423 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434461278 389935106 /nfs/dbraw/zinc/93/51/06/389935106.db2.gz UGAAJYBLYIFQLU-ZDUSSCGKSA-N 1 2 297.399 0.335 20 30 CCEDLO N#Cc1cncc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000420607412 390016362 /nfs/dbraw/zinc/01/63/62/390016362.db2.gz ZCBXSQBXEYSHRX-GFCCVEGCSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cncc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000420607412 390016363 /nfs/dbraw/zinc/01/63/63/390016363.db2.gz ZCBXSQBXEYSHRX-GFCCVEGCSA-N 1 2 259.313 0.623 20 30 CCEDLO Cc1cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)ccc1C#N ZINC000488096644 390091574 /nfs/dbraw/zinc/09/15/74/390091574.db2.gz FBZAAOPEAGIYDW-ZDUSSCGKSA-N 1 2 287.363 0.892 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000491760067 390116630 /nfs/dbraw/zinc/11/66/30/390116630.db2.gz PDQOHPFNULZCBJ-GXFFZTMASA-N 1 2 266.366 0.780 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000491760067 390116631 /nfs/dbraw/zinc/11/66/31/390116631.db2.gz PDQOHPFNULZCBJ-GXFFZTMASA-N 1 2 266.366 0.780 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491798316 390116893 /nfs/dbraw/zinc/11/68/93/390116893.db2.gz RLKUXYJYVYGDLW-PTZVLDCSSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491798316 390116894 /nfs/dbraw/zinc/11/68/94/390116894.db2.gz RLKUXYJYVYGDLW-PTZVLDCSSA-N 1 2 298.390 0.933 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1Cl ZINC000537581572 390179761 /nfs/dbraw/zinc/17/97/61/390179761.db2.gz BOUUCSNRENYZCX-UHFFFAOYSA-N 1 2 293.754 0.962 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000494637895 390187571 /nfs/dbraw/zinc/18/75/71/390187571.db2.gz NUHJMYKUQUVCBG-UHFFFAOYSA-N 1 2 280.328 0.242 20 30 CCEDLO C=CC[N@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000494637895 390187573 /nfs/dbraw/zinc/18/75/73/390187573.db2.gz NUHJMYKUQUVCBG-UHFFFAOYSA-N 1 2 280.328 0.242 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494086886 390147804 /nfs/dbraw/zinc/14/78/04/390147804.db2.gz RBRMAKNMMLRAFB-LBPRGKRZSA-N 1 2 294.355 0.275 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494086886 390147806 /nfs/dbraw/zinc/14/78/06/390147806.db2.gz RBRMAKNMMLRAFB-LBPRGKRZSA-N 1 2 294.355 0.275 20 30 CCEDLO CCOC(=O)NCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496337071 390343427 /nfs/dbraw/zinc/34/34/27/390343427.db2.gz CUTAJHWIGUXCSC-ZDUSSCGKSA-N 1 2 284.360 0.473 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603281433 390379603 /nfs/dbraw/zinc/37/96/03/390379603.db2.gz XEYAVQNFSQDHIK-SNVBAGLBSA-N 1 2 256.331 0.447 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000645174915 390382140 /nfs/dbraw/zinc/38/21/40/390382140.db2.gz WNDUWSWCRMVBIK-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000645178936 390383840 /nfs/dbraw/zinc/38/38/40/390383840.db2.gz ZJXDHQQGKODZTH-NWDGAFQWSA-N 1 2 264.329 0.345 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000648736059 390397514 /nfs/dbraw/zinc/39/75/14/390397514.db2.gz GZOBKKQSFPCKAE-SNVBAGLBSA-N 1 2 260.301 0.479 20 30 CCEDLO N#CCCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000564915713 390498320 /nfs/dbraw/zinc/49/83/20/390498320.db2.gz AWKYOYNZOAQIGI-UHFFFAOYSA-N 1 2 261.333 0.213 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000649188143 390516571 /nfs/dbraw/zinc/51/65/71/390516571.db2.gz FNYDPEYIAGOFGP-GFCCVEGCSA-N 1 2 257.293 0.838 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000565574768 390525487 /nfs/dbraw/zinc/52/54/87/390525487.db2.gz PMOKYUBPPCTORS-CQSZACIVSA-N 1 2 299.338 0.236 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(N)=O)cc1 ZINC000566317972 390596626 /nfs/dbraw/zinc/59/66/26/390596626.db2.gz MVAXVQUURWRTQG-GFCCVEGCSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(N)=O)cc1 ZINC000566317972 390596628 /nfs/dbraw/zinc/59/66/28/390596628.db2.gz MVAXVQUURWRTQG-GFCCVEGCSA-N 1 2 277.324 0.371 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCS1 ZINC000527384893 390704795 /nfs/dbraw/zinc/70/47/95/390704795.db2.gz TVQHKMSGDHTSHE-SNVBAGLBSA-N 1 2 253.371 0.986 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCS1 ZINC000527384893 390704796 /nfs/dbraw/zinc/70/47/96/390704796.db2.gz TVQHKMSGDHTSHE-SNVBAGLBSA-N 1 2 253.371 0.986 20 30 CCEDLO CC1(C(N)=O)C[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000567609408 390706472 /nfs/dbraw/zinc/70/64/72/390706472.db2.gz HKUMCPVGSHUOQI-CYBMUJFWSA-N 1 2 298.346 0.471 20 30 CCEDLO CCCCOCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000568174824 390712307 /nfs/dbraw/zinc/71/23/07/390712307.db2.gz IOQBPKRVIIHQRK-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569106768 390715700 /nfs/dbraw/zinc/71/57/00/390715700.db2.gz GGYXUUCWLSTVGB-RTXFEEFZSA-N 1 2 261.325 0.905 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000646818463 390724657 /nfs/dbraw/zinc/72/46/57/390724657.db2.gz TVGKDIQOAOQJGI-GXTWGEPZSA-N 1 2 275.352 0.834 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#N)n1 ZINC000571282778 390728966 /nfs/dbraw/zinc/72/89/66/390728966.db2.gz XETAERXKVWGYOX-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#N)n1 ZINC000571282778 390728967 /nfs/dbraw/zinc/72/89/67/390728967.db2.gz XETAERXKVWGYOX-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646576635 390696449 /nfs/dbraw/zinc/69/64/49/390696449.db2.gz YRUMFEWQNCLVOP-GJZGRUSLSA-N 1 2 290.363 0.551 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646576635 390696451 /nfs/dbraw/zinc/69/64/51/390696451.db2.gz YRUMFEWQNCLVOP-GJZGRUSLSA-N 1 2 290.363 0.551 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000571816154 390754525 /nfs/dbraw/zinc/75/45/25/390754525.db2.gz QYFSRRHIQAFWQV-GFCCVEGCSA-N 1 2 259.313 0.457 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571816154 390754528 /nfs/dbraw/zinc/75/45/28/390754528.db2.gz QYFSRRHIQAFWQV-GFCCVEGCSA-N 1 2 259.313 0.457 20 30 CCEDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n(CCC#N)n1 ZINC000530808107 390877403 /nfs/dbraw/zinc/87/74/03/390877403.db2.gz XAUBIDMNYXOASW-NSHDSACASA-N 1 2 277.328 0.374 20 30 CCEDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n(CCC#N)n1 ZINC000530808107 390877406 /nfs/dbraw/zinc/87/74/06/390877406.db2.gz XAUBIDMNYXOASW-NSHDSACASA-N 1 2 277.328 0.374 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCSC2)c1C#N ZINC000534056618 390888100 /nfs/dbraw/zinc/88/81/00/390888100.db2.gz BUGAEYSWLXBFLG-VIFPVBQESA-N 1 2 293.396 0.547 20 30 CCEDLO N#Cc1c2c(cnc1NCC[NH+]1CCOCC1)CCC2 ZINC000578861080 390904388 /nfs/dbraw/zinc/90/43/88/390904388.db2.gz QLOHRXSVTVLHBS-UHFFFAOYSA-N 1 2 272.352 0.608 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCOc1ccccc1C#N ZINC000341991159 130213481 /nfs/dbraw/zinc/21/34/81/130213481.db2.gz FUYSSAODGPFWGA-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000341991159 130213482 /nfs/dbraw/zinc/21/34/82/130213482.db2.gz FUYSSAODGPFWGA-UHFFFAOYSA-N 1 2 272.312 0.593 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N(C)C ZINC000247956889 131109030 /nfs/dbraw/zinc/10/90/30/131109030.db2.gz DCLGNTWRVRAUKR-UHFFFAOYSA-N 1 2 253.346 0.207 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N(C)C ZINC000247956889 131109031 /nfs/dbraw/zinc/10/90/31/131109031.db2.gz DCLGNTWRVRAUKR-UHFFFAOYSA-N 1 2 253.346 0.207 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368330215 144218513 /nfs/dbraw/zinc/21/85/13/144218513.db2.gz DIZHWJLTRSJCPB-CBBWQLFWSA-N 1 2 286.331 0.942 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368330215 144218515 /nfs/dbraw/zinc/21/85/15/144218515.db2.gz DIZHWJLTRSJCPB-CBBWQLFWSA-N 1 2 286.331 0.942 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(F)c1 ZINC000370251777 144295831 /nfs/dbraw/zinc/29/58/31/144295831.db2.gz LUOLHCMESLKLGL-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(F)c1 ZINC000370251777 144295832 /nfs/dbraw/zinc/29/58/32/144295832.db2.gz LUOLHCMESLKLGL-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000408222246 397522569 /nfs/dbraw/zinc/52/25/69/397522569.db2.gz ASTPWNOTDWNIQW-LBPRGKRZSA-N 1 2 278.356 0.055 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ccc(C)c(C#N)n2)CC1 ZINC000615692720 397588262 /nfs/dbraw/zinc/58/82/62/397588262.db2.gz MJOQKQWCOLXOLR-UHFFFAOYSA-N 1 2 287.367 0.260 20 30 CCEDLO Cc1nc(N)c(CNC(=O)COc2ccccc2C#N)c[nH+]1 ZINC000552018557 286147647 /nfs/dbraw/zinc/14/76/47/286147647.db2.gz FHHBLKLNEUXWMP-UHFFFAOYSA-N 1 2 297.318 0.764 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000021847195 171334977 /nfs/dbraw/zinc/33/49/77/171334977.db2.gz MTCHAGZGLRLFCC-UHFFFAOYSA-N 1 2 292.364 0.756 20 30 CCEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000285263836 196235269 /nfs/dbraw/zinc/23/52/69/196235269.db2.gz SMXRYDKTORFYAL-UHFFFAOYSA-N 1 2 293.754 0.962 20 30 CCEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660881140 414520284 /nfs/dbraw/zinc/52/02/84/414520284.db2.gz GVHLYSOAAHRUJW-VXGBXAGGSA-N 1 2 253.346 0.677 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000662167753 414695158 /nfs/dbraw/zinc/69/51/58/414695158.db2.gz OOSJDNURKBSHSR-GFCCVEGCSA-N 1 2 259.313 0.358 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664621589 415436693 /nfs/dbraw/zinc/43/66/93/415436693.db2.gz QQKQFGCNDQEVIC-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664621589 415436703 /nfs/dbraw/zinc/43/67/03/415436703.db2.gz QQKQFGCNDQEVIC-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)CCC1 ZINC000347217921 226089914 /nfs/dbraw/zinc/08/99/14/226089914.db2.gz HMADIVGZHGKPON-UHFFFAOYSA-N 1 2 287.310 0.641 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)CN1CCOCC1=O ZINC000329834578 227962477 /nfs/dbraw/zinc/96/24/77/227962477.db2.gz GXSVTKYBQUPDDA-UHFFFAOYSA-N 1 2 252.274 0.033 20 30 CCEDLO Cn1cncc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000330111934 228042001 /nfs/dbraw/zinc/04/20/01/228042001.db2.gz BMPQMBBYQTZUPW-UHFFFAOYSA-N 1 2 295.343 0.013 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCCOCC2)CCO1 ZINC000328761483 545018808 /nfs/dbraw/zinc/01/88/08/545018808.db2.gz YGEDULAQNSWBJX-UHFFFAOYSA-N 1 2 285.388 0.734 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCCOCC2)CCO1 ZINC000328761483 545018809 /nfs/dbraw/zinc/01/88/09/545018809.db2.gz YGEDULAQNSWBJX-UHFFFAOYSA-N 1 2 285.388 0.734 20 30 CCEDLO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993105 260156117 /nfs/dbraw/zinc/15/61/17/260156117.db2.gz LDDFHGVALIAXMI-TUAOUCFPSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993105 260156119 /nfs/dbraw/zinc/15/61/19/260156119.db2.gz LDDFHGVALIAXMI-TUAOUCFPSA-N 1 2 271.386 0.644 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 ZINC000408008765 260170855 /nfs/dbraw/zinc/17/08/55/260170855.db2.gz FYSFBSDIEWDYGF-GJZGRUSLSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 ZINC000408008765 260170856 /nfs/dbraw/zinc/17/08/56/260170856.db2.gz FYSFBSDIEWDYGF-GJZGRUSLSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)CCCCC2)C1 ZINC000081310467 260182402 /nfs/dbraw/zinc/18/24/02/260182402.db2.gz FNNGWWQKZDDMDH-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(C#N)CCCCC2)C1 ZINC000081310467 260182403 /nfs/dbraw/zinc/18/24/03/260182403.db2.gz FNNGWWQKZDDMDH-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000049000848 260202747 /nfs/dbraw/zinc/20/27/47/260202747.db2.gz XNVBXCMMXSTVCY-SFYZADRCSA-N 1 2 294.277 0.854 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000049000848 260202749 /nfs/dbraw/zinc/20/27/49/260202749.db2.gz XNVBXCMMXSTVCY-SFYZADRCSA-N 1 2 294.277 0.854 20 30 CCEDLO NC(=[NH+]OCC(=O)NC1CC1)c1ccc2c(c1)CCO2 ZINC000158239856 261161500 /nfs/dbraw/zinc/16/15/00/261161500.db2.gz YVYAHHNCHXCTDL-UHFFFAOYSA-N 1 2 275.308 0.537 20 30 CCEDLO CN(CCO[NH+]=C(N)CN1CCOCC1)c1ccccc1 ZINC000159188979 261180870 /nfs/dbraw/zinc/18/08/70/261180870.db2.gz CCJCTXZUZHHQFI-UHFFFAOYSA-N 1 2 292.383 0.744 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001030 269836033 /nfs/dbraw/zinc/83/60/33/269836033.db2.gz CYJMOARAHAQRHB-FVINQWEUSA-N 1 2 291.380 0.800 20 30 CCEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001030 269836036 /nfs/dbraw/zinc/83/60/36/269836036.db2.gz CYJMOARAHAQRHB-FVINQWEUSA-N 1 2 291.380 0.800 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)OCC)CC1 ZINC000491100286 261327642 /nfs/dbraw/zinc/32/76/42/261327642.db2.gz GFOWUAIJBITHJT-UHFFFAOYSA-N 1 2 252.314 0.011 20 30 CCEDLO CN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000034652393 262383194 /nfs/dbraw/zinc/38/31/94/262383194.db2.gz KFWUUVFLHHIEOI-UHFFFAOYSA-N 1 2 287.367 0.576 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337233460 262441449 /nfs/dbraw/zinc/44/14/49/262441449.db2.gz WMEZRFGZGPYYOO-VXGBXAGGSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337233460 262441451 /nfs/dbraw/zinc/44/14/51/262441451.db2.gz WMEZRFGZGPYYOO-VXGBXAGGSA-N 1 2 265.357 0.396 20 30 CCEDLO C=C(C)CC[NH2+]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000337501258 262455306 /nfs/dbraw/zinc/45/53/06/262455306.db2.gz VUSYIXVGYYKAIV-UHFFFAOYSA-N 1 2 275.370 0.663 20 30 CCEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275482567 263033494 /nfs/dbraw/zinc/03/34/94/263033494.db2.gz NKKLFPXXPFFCME-SECBINFHSA-N 1 2 281.312 0.693 20 30 CCEDLO C[C@@H]1C[N@H+](CCSc2nnc(CC#N)n2C)CCO1 ZINC000279882678 263058085 /nfs/dbraw/zinc/05/80/85/263058085.db2.gz HMPCNASRAISEMM-SNVBAGLBSA-N 1 2 281.385 0.694 20 30 CCEDLO C[C@@H]1C[N@@H+](CCSc2nnc(CC#N)n2C)CCO1 ZINC000279882678 263058086 /nfs/dbraw/zinc/05/80/86/263058086.db2.gz HMPCNASRAISEMM-SNVBAGLBSA-N 1 2 281.385 0.694 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000282995225 263080256 /nfs/dbraw/zinc/08/02/56/263080256.db2.gz OIKDLWXDWAUHTP-XNTDXEJSSA-N 1 2 262.313 0.358 20 30 CCEDLO COCc1noc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284067055 263085711 /nfs/dbraw/zinc/08/57/11/263085711.db2.gz JXLWKICKBYPENT-SFYZADRCSA-N 1 2 270.289 0.745 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340227164 263098234 /nfs/dbraw/zinc/09/82/34/263098234.db2.gz ZFFCKZHFJMMIRF-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227164 263098235 /nfs/dbraw/zinc/09/82/35/263098235.db2.gz ZFFCKZHFJMMIRF-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2nnn(C)n2)cc1OC ZINC000289388738 263109706 /nfs/dbraw/zinc/10/97/06/263109706.db2.gz MEEUTQFYBINCEO-UHFFFAOYSA-N 1 2 292.299 0.064 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH+]1CCOCC1 ZINC000289398308 263109976 /nfs/dbraw/zinc/10/99/76/263109976.db2.gz SEKHSFBLWOUWPC-UHFFFAOYSA-N 1 2 272.348 0.659 20 30 CCEDLO N#CCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000291717626 263125057 /nfs/dbraw/zinc/12/50/57/263125057.db2.gz PMLLJDXEJSWRHQ-UHFFFAOYSA-N 1 2 291.355 0.848 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120847999 263286645 /nfs/dbraw/zinc/28/66/45/263286645.db2.gz LUHIBGXKUDVHQZ-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCCCO1 ZINC000328702300 263846872 /nfs/dbraw/zinc/84/68/72/263846872.db2.gz NTRDXWHMTNEINA-UHFFFAOYSA-N 1 2 269.345 0.793 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@@]1(CCO)CCOC1 ZINC000330597584 263981994 /nfs/dbraw/zinc/98/19/94/263981994.db2.gz WCZVZIOKQSKINT-CQSZACIVSA-N 1 2 279.340 0.927 20 30 CCEDLO CC(C)C[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330724158 264025995 /nfs/dbraw/zinc/02/59/95/264025995.db2.gz IYGFZJMSXHAMCZ-CHWSQXEVSA-N 1 2 286.420 0.143 20 30 CCEDLO CC(C)C[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330724158 264025996 /nfs/dbraw/zinc/02/59/96/264025996.db2.gz IYGFZJMSXHAMCZ-CHWSQXEVSA-N 1 2 286.420 0.143 20 30 CCEDLO CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000330762333 264031762 /nfs/dbraw/zinc/03/17/62/264031762.db2.gz HROXWXQXYNDMMO-LLVKDONJSA-N 1 2 266.345 0.928 20 30 CCEDLO CCn1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000330762333 264031763 /nfs/dbraw/zinc/03/17/63/264031763.db2.gz HROXWXQXYNDMMO-LLVKDONJSA-N 1 2 266.345 0.928 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000330739615 264038104 /nfs/dbraw/zinc/03/81/04/264038104.db2.gz ADVHBXOTWVAFOM-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000330739615 264038107 /nfs/dbraw/zinc/03/81/07/264038107.db2.gz ADVHBXOTWVAFOM-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO Cc1cnc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000330885055 264062695 /nfs/dbraw/zinc/06/26/95/264062695.db2.gz QDRGELXANGBZPG-SNVBAGLBSA-N 1 2 265.313 0.731 20 30 CCEDLO Cc1cnc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000330885055 264062696 /nfs/dbraw/zinc/06/26/96/264062696.db2.gz QDRGELXANGBZPG-SNVBAGLBSA-N 1 2 265.313 0.731 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000330945131 264084770 /nfs/dbraw/zinc/08/47/70/264084770.db2.gz JOAIZALDTBGPEO-MRVPVSSYSA-N 1 2 296.293 0.215 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000330945131 264084772 /nfs/dbraw/zinc/08/47/72/264084772.db2.gz JOAIZALDTBGPEO-MRVPVSSYSA-N 1 2 296.293 0.215 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000330955540 264087100 /nfs/dbraw/zinc/08/71/00/264087100.db2.gz UDOHQPQWWTVMGM-ZDUSSCGKSA-N 1 2 296.415 0.891 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000330955540 264087102 /nfs/dbraw/zinc/08/71/02/264087102.db2.gz UDOHQPQWWTVMGM-ZDUSSCGKSA-N 1 2 296.415 0.891 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000331105300 264125181 /nfs/dbraw/zinc/12/51/81/264125181.db2.gz IJEUWYXHJVASNQ-SCRDCRAPSA-N 1 2 283.372 0.386 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000331105300 264125184 /nfs/dbraw/zinc/12/51/84/264125184.db2.gz IJEUWYXHJVASNQ-SCRDCRAPSA-N 1 2 283.372 0.386 20 30 CCEDLO CN(CCCO)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331260043 264183838 /nfs/dbraw/zinc/18/38/38/264183838.db2.gz AJFUJRIAHXCAEE-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000331265477 264185493 /nfs/dbraw/zinc/18/54/93/264185493.db2.gz HOUMSEHCECIZEB-CYBMUJFWSA-N 1 2 288.351 0.814 20 30 CCEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000331265477 264185495 /nfs/dbraw/zinc/18/54/95/264185495.db2.gz HOUMSEHCECIZEB-CYBMUJFWSA-N 1 2 288.351 0.814 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000074161790 264307420 /nfs/dbraw/zinc/30/74/20/264307420.db2.gz GMCCUGUCKSKRNG-GFCCVEGCSA-N 1 2 252.362 0.432 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000343275834 264311847 /nfs/dbraw/zinc/31/18/47/264311847.db2.gz AZUKKHIZHKPJLB-LBPRGKRZSA-N 1 2 251.374 0.705 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000356544112 266134181 /nfs/dbraw/zinc/13/41/81/266134181.db2.gz ZZFDMFMEFVXJGL-FRRDWIJNSA-N 1 2 282.388 0.897 20 30 CCEDLO CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H](C)O ZINC000357561422 266325437 /nfs/dbraw/zinc/32/54/37/266325437.db2.gz GOMVUYWTLZMHFK-UONOGXRCSA-N 1 2 297.399 0.468 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360293145 266701957 /nfs/dbraw/zinc/70/19/57/266701957.db2.gz IXAGMIUQOVCWRU-LBPRGKRZSA-N 1 2 296.415 0.803 20 30 CCEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000361861364 266896524 /nfs/dbraw/zinc/89/65/24/266896524.db2.gz ZTUHUWROJFTPBP-CYBMUJFWSA-N 1 2 264.350 0.401 20 30 CCEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000361861364 266896526 /nfs/dbraw/zinc/89/65/26/266896526.db2.gz ZTUHUWROJFTPBP-CYBMUJFWSA-N 1 2 264.350 0.401 20 30 CCEDLO C=CCS(=O)(=O)CCNc1nc[nH+]c2c1CCCC2 ZINC000367782158 267117168 /nfs/dbraw/zinc/11/71/68/267117168.db2.gz FCDHTYQMNIKRKF-UHFFFAOYSA-N 1 2 281.381 0.790 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370556875 267327648 /nfs/dbraw/zinc/32/76/48/267327648.db2.gz IPUNNIYAQJVXHX-OLZOCXBDSA-N 1 2 295.383 0.936 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370556875 267327650 /nfs/dbraw/zinc/32/76/50/267327650.db2.gz IPUNNIYAQJVXHX-OLZOCXBDSA-N 1 2 295.383 0.936 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](OC)C2CC2)c1C#N ZINC000525942920 267348352 /nfs/dbraw/zinc/34/83/52/267348352.db2.gz XFDPJMGNSZAHEQ-LBPRGKRZSA-N 1 2 291.355 0.219 20 30 CCEDLO Cc1cc(N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c(C#N)c[nH+]1 ZINC000333401134 278715369 /nfs/dbraw/zinc/71/53/69/278715369.db2.gz FQAQJLLJTNDACW-AWEZNQCLSA-N 1 2 285.307 0.392 20 30 CCEDLO Cc1nccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000330150116 279166224 /nfs/dbraw/zinc/16/62/24/279166224.db2.gz KNHMXQJTWXPRBY-LBPRGKRZSA-N 1 2 291.355 0.737 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000130400903 279704993 /nfs/dbraw/zinc/70/49/93/279704993.db2.gz XUWQENGODHGJAS-UHFFFAOYSA-N 1 2 276.340 0.681 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000355636942 328859425 /nfs/dbraw/zinc/85/94/25/328859425.db2.gz SFEXVUBCWPDRSE-VIFPVBQESA-N 1 2 250.327 0.810 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncn(-c2ccccc2)n1 ZINC000563583343 328074807 /nfs/dbraw/zinc/07/48/07/328074807.db2.gz WDZYHNVULAMKGD-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccno1 ZINC000269035703 328189071 /nfs/dbraw/zinc/18/90/71/328189071.db2.gz VPXDIEQDCMPVQH-UHFFFAOYSA-N 1 2 264.329 0.722 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415193377 328388551 /nfs/dbraw/zinc/38/85/51/328388551.db2.gz WPENGVKXFDBQGV-LLVKDONJSA-N 1 2 274.324 1.000 20 30 CCEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000289989330 328528302 /nfs/dbraw/zinc/52/83/02/328528302.db2.gz HGRCTQZDPFBUNH-SNVBAGLBSA-N 1 2 263.297 0.300 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000357811895 327184989 /nfs/dbraw/zinc/18/49/89/327184989.db2.gz YHVHGTUCTHUVSH-LBPRGKRZSA-N 1 2 258.325 0.885 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)[NH+]1CCN(C)CC1 ZINC000584288514 327219849 /nfs/dbraw/zinc/21/98/49/327219849.db2.gz ROXKDSSIOCLILW-LLVKDONJSA-N 1 2 260.345 0.396 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)nc1 ZINC000579240740 327359837 /nfs/dbraw/zinc/35/98/37/327359837.db2.gz AFJIFCRXHLIEMV-GFCCVEGCSA-N 1 2 260.297 0.029 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)nc1 ZINC000579240740 327359838 /nfs/dbraw/zinc/35/98/38/327359838.db2.gz AFJIFCRXHLIEMV-GFCCVEGCSA-N 1 2 260.297 0.029 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@H]1CCCO1 ZINC000565051607 327423085 /nfs/dbraw/zinc/42/30/85/327423085.db2.gz NZFUZZMPUSHTSM-YPMHNXCESA-N 1 2 253.346 0.906 20 30 CCEDLO N#CC1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000562389778 327477957 /nfs/dbraw/zinc/47/79/57/327477957.db2.gz XSVGQCKAEMKPRX-UHFFFAOYSA-N 1 2 288.355 0.541 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn2ccnc2s1 ZINC000570048435 327565207 /nfs/dbraw/zinc/56/52/07/327565207.db2.gz VEVGHZJZWPDRFD-GFCCVEGCSA-N 1 2 277.353 0.969 20 30 CCEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000580379881 328799388 /nfs/dbraw/zinc/79/93/88/328799388.db2.gz PWJWCDMPRHVRAU-LLVKDONJSA-N 1 2 294.380 0.811 20 30 CCEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000583697180 329068596 /nfs/dbraw/zinc/06/85/96/329068596.db2.gz VORDODYQFIEXIJ-MFKMUULPSA-N 1 2 263.345 0.484 20 30 CCEDLO C#CCOc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178609642 329201432 /nfs/dbraw/zinc/20/14/32/329201432.db2.gz PHYNLMLWGWZSLO-OAHLLOKOSA-N 1 2 299.374 0.428 20 30 CCEDLO N#Cc1cncc(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000582961946 329290307 /nfs/dbraw/zinc/29/03/07/329290307.db2.gz NQAZDYKVIFUKPA-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185919968 329332666 /nfs/dbraw/zinc/33/26/66/329332666.db2.gz HGEOWTDMNCOWDV-OAHLLOKOSA-N 1 2 279.384 0.917 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185919968 329332667 /nfs/dbraw/zinc/33/26/67/329332667.db2.gz HGEOWTDMNCOWDV-OAHLLOKOSA-N 1 2 279.384 0.917 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000583212769 329368747 /nfs/dbraw/zinc/36/87/47/329368747.db2.gz VHTHHWFKHYFUJZ-PWSUYJOCSA-N 1 2 269.345 0.582 20 30 CCEDLO C=CCN(CCOC)C(=O)NCCn1cc[nH+]c1 ZINC000190393644 329396208 /nfs/dbraw/zinc/39/62/08/329396208.db2.gz QPCPMGCKDLVZAX-UHFFFAOYSA-N 1 2 252.318 0.727 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425202834 329636476 /nfs/dbraw/zinc/63/64/76/329636476.db2.gz LHRMIRZESMYCKD-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420821072 329784295 /nfs/dbraw/zinc/78/42/95/329784295.db2.gz ILWYJOFGFBSOKW-UHFFFAOYSA-N 1 2 276.340 0.800 20 30 CCEDLO C=C(C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000429106650 330538622 /nfs/dbraw/zinc/53/86/22/330538622.db2.gz ZKJNWQKFUVTOHB-UHFFFAOYSA-N 1 2 253.346 0.727 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451123876 331016498 /nfs/dbraw/zinc/01/64/98/331016498.db2.gz CBEKDXBVISBFFY-CQSZACIVSA-N 1 2 265.357 0.904 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451123876 331016499 /nfs/dbraw/zinc/01/64/99/331016499.db2.gz CBEKDXBVISBFFY-CQSZACIVSA-N 1 2 265.357 0.904 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000458310375 331248068 /nfs/dbraw/zinc/24/80/68/331248068.db2.gz UUKIGKAKQKLVQV-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000458310375 331248069 /nfs/dbraw/zinc/24/80/69/331248069.db2.gz UUKIGKAKQKLVQV-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459933029 331303632 /nfs/dbraw/zinc/30/36/32/331303632.db2.gz LVDOOYCTJVGSGF-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000488392131 332003538 /nfs/dbraw/zinc/00/35/38/332003538.db2.gz XPNVNQLHZRUKMI-CYBMUJFWSA-N 1 2 293.367 0.097 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@](C)(CC)C2)CC1 ZINC000490719811 332108854 /nfs/dbraw/zinc/10/88/54/332108854.db2.gz OUZJIVNYANTYCD-INIZCTEOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@](C)(CC)C2)CC1 ZINC000490719811 332108855 /nfs/dbraw/zinc/10/88/55/332108855.db2.gz OUZJIVNYANTYCD-INIZCTEOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490738734 332109923 /nfs/dbraw/zinc/10/99/23/332109923.db2.gz CSYFHCABXHOHOV-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490738734 332109924 /nfs/dbraw/zinc/10/99/24/332109924.db2.gz CSYFHCABXHOHOV-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742513 332112301 /nfs/dbraw/zinc/11/23/01/332112301.db2.gz YKKUQKZNLIFOAD-XQQFMLRXSA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742513 332112302 /nfs/dbraw/zinc/11/23/02/332112302.db2.gz YKKUQKZNLIFOAD-XQQFMLRXSA-N 1 2 271.382 0.676 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)CC1 ZINC000490829405 332118247 /nfs/dbraw/zinc/11/82/47/332118247.db2.gz BEABCGQLOAAQPQ-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)CC1 ZINC000490829405 332118248 /nfs/dbraw/zinc/11/82/48/332118248.db2.gz BEABCGQLOAAQPQ-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)CCC(F)(F)F)CC1 ZINC000490866019 332121720 /nfs/dbraw/zinc/12/17/20/332121720.db2.gz LCKKNIJIZPPEFO-UHFFFAOYSA-N 1 2 291.317 0.648 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)CCC(F)(F)F)CC1 ZINC000490866019 332121721 /nfs/dbraw/zinc/12/17/21/332121721.db2.gz LCKKNIJIZPPEFO-UHFFFAOYSA-N 1 2 291.317 0.648 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000491146917 332156373 /nfs/dbraw/zinc/15/63/73/332156373.db2.gz PNUFDKDVKFSQRI-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000491146917 332156374 /nfs/dbraw/zinc/15/63/74/332156374.db2.gz PNUFDKDVKFSQRI-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000491210804 332167152 /nfs/dbraw/zinc/16/71/52/332167152.db2.gz ZADVJOXBUKLPHP-UHFFFAOYSA-N 1 2 271.320 0.674 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000491210804 332167153 /nfs/dbraw/zinc/16/71/53/332167153.db2.gz ZADVJOXBUKLPHP-UHFFFAOYSA-N 1 2 271.320 0.674 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1CCCC1 ZINC000491266092 332177036 /nfs/dbraw/zinc/17/70/36/332177036.db2.gz NOTUMYDWDLRHBJ-UHFFFAOYSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1CCCC1 ZINC000491266092 332177037 /nfs/dbraw/zinc/17/70/37/332177037.db2.gz NOTUMYDWDLRHBJ-UHFFFAOYSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000491441101 332212480 /nfs/dbraw/zinc/21/24/80/332212480.db2.gz UCNPNGHXBGYVPA-DGCLKSJQSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000491441101 332212482 /nfs/dbraw/zinc/21/24/82/332212482.db2.gz UCNPNGHXBGYVPA-DGCLKSJQSA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000491615062 332242646 /nfs/dbraw/zinc/24/26/46/332242646.db2.gz ANVATZYSSQWNDV-STQMWFEESA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000491615062 332242647 /nfs/dbraw/zinc/24/26/47/332242647.db2.gz ANVATZYSSQWNDV-STQMWFEESA-N 1 2 266.389 0.333 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000491619662 332245743 /nfs/dbraw/zinc/24/57/43/332245743.db2.gz BJDVCQRONHKZIT-HOTGVXAUSA-N 1 2 287.407 0.842 20 30 CCEDLO C#CC[N@@H+](CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000491750920 332327187 /nfs/dbraw/zinc/32/71/87/332327187.db2.gz VXHZOYKUMQYZAE-CYBMUJFWSA-N 1 2 281.381 0.314 20 30 CCEDLO C#CC[N@H+](CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000491750920 332327188 /nfs/dbraw/zinc/32/71/88/332327188.db2.gz VXHZOYKUMQYZAE-CYBMUJFWSA-N 1 2 281.381 0.314 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCOCCNC(=O)OC(C)(C)C ZINC000491777056 332342554 /nfs/dbraw/zinc/34/25/54/332342554.db2.gz HDBKRQBJNVQRHA-ZDUSSCGKSA-N 1 2 298.383 0.862 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCOCCNC(=O)OC(C)(C)C ZINC000491777056 332342555 /nfs/dbraw/zinc/34/25/55/332342555.db2.gz HDBKRQBJNVQRHA-ZDUSSCGKSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000491801230 332355504 /nfs/dbraw/zinc/35/55/04/332355504.db2.gz BZBYRRMBPJYBDO-CYBMUJFWSA-N 1 2 255.321 0.931 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000491809185 332362007 /nfs/dbraw/zinc/36/20/07/332362007.db2.gz XHBFLLGNWKJILS-UHFFFAOYSA-N 1 2 260.341 0.680 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000174810948 333007680 /nfs/dbraw/zinc/00/76/80/333007680.db2.gz FHPBSOIOKKXXRA-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000174810948 333007681 /nfs/dbraw/zinc/00/76/81/333007681.db2.gz FHPBSOIOKKXXRA-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575932536 335133063 /nfs/dbraw/zinc/13/30/63/335133063.db2.gz MWKNVBCACROHAB-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575932536 335133064 /nfs/dbraw/zinc/13/30/64/335133064.db2.gz MWKNVBCACROHAB-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 ZINC000123327446 333458203 /nfs/dbraw/zinc/45/82/03/333458203.db2.gz JQQSWPSTUSEHKF-HNNXBMFYSA-N 1 2 292.383 0.161 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncsc2=S)CC1 ZINC000074171439 333990600 /nfs/dbraw/zinc/99/06/00/333990600.db2.gz YCCSEVOQMYGEJK-UHFFFAOYSA-N 1 2 254.384 0.882 20 30 CCEDLO C[C@@](O)(C1CC[NH+](CC(=O)NCC#N)CC1)C(F)(F)F ZINC000546639626 334042845 /nfs/dbraw/zinc/04/28/45/334042845.db2.gz ZIEJLLIECCIINZ-LLVKDONJSA-N 1 2 293.289 0.651 20 30 CCEDLO C=CCn1c(CC)nnc1N(C)CC[NH+]1CCOCC1 ZINC000548853632 334176366 /nfs/dbraw/zinc/17/63/66/334176366.db2.gz KLQNJXRAIRKITD-UHFFFAOYSA-N 1 2 279.388 0.795 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044817 334177249 /nfs/dbraw/zinc/17/72/49/334177249.db2.gz JKAHONUMTLNVSF-UHFFFAOYSA-N 1 2 264.329 0.624 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044817 334177250 /nfs/dbraw/zinc/17/72/50/334177250.db2.gz JKAHONUMTLNVSF-UHFFFAOYSA-N 1 2 264.329 0.624 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCC1CC1 ZINC000081157997 334179459 /nfs/dbraw/zinc/17/94/59/334179459.db2.gz ZHBRZQYKEUBEKI-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248886924 334320805 /nfs/dbraw/zinc/32/08/05/334320805.db2.gz REPKTMBBBGOPHJ-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248886924 334320806 /nfs/dbraw/zinc/32/08/06/334320806.db2.gz REPKTMBBBGOPHJ-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566739491 334662470 /nfs/dbraw/zinc/66/24/70/334662470.db2.gz FZNXUFNRYAVUKE-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000178046995 335409751 /nfs/dbraw/zinc/40/97/51/335409751.db2.gz XTJXSEZUCCJBCR-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000578480796 335639520 /nfs/dbraw/zinc/63/95/20/335639520.db2.gz ZGXIKVARBBFTBZ-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO Cc1c(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000578632162 335656433 /nfs/dbraw/zinc/65/64/33/335656433.db2.gz MLQHIXXBPBUHMO-CQSZACIVSA-N 1 2 277.372 0.621 20 30 CCEDLO C[C@@H]1COCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581136336 336013969 /nfs/dbraw/zinc/01/39/69/336013969.db2.gz XRRODWALDDTOAS-WZRBSPASSA-N 1 2 253.346 0.619 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000581556233 336102398 /nfs/dbraw/zinc/10/23/98/336102398.db2.gz ZBGGVJAHQPYMKV-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000581556233 336102400 /nfs/dbraw/zinc/10/24/00/336102400.db2.gz ZBGGVJAHQPYMKV-AWEZNQCLSA-N 1 2 259.309 0.945 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330245021 534691701 /nfs/dbraw/zinc/69/17/01/534691701.db2.gz KMXYMBOYHRZUGS-KGLIPLIRSA-N 1 2 290.367 0.819 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330245021 534691704 /nfs/dbraw/zinc/69/17/04/534691704.db2.gz KMXYMBOYHRZUGS-KGLIPLIRSA-N 1 2 290.367 0.819 20 30 CCEDLO CC(=O)N1CC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329217814 526512556 /nfs/dbraw/zinc/51/25/56/526512556.db2.gz QVUGVVHGSNCSBH-LBPRGKRZSA-N 1 2 279.344 0.210 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000354577364 526540893 /nfs/dbraw/zinc/54/08/93/526540893.db2.gz ZRSHDKZBPHXQRT-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352698992 526623521 /nfs/dbraw/zinc/62/35/21/526623521.db2.gz NWIKLXMLAHFAPQ-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCOC2)CC1 ZINC000329650038 526624597 /nfs/dbraw/zinc/62/45/97/526624597.db2.gz CDFITCWZZSWSNN-CQSZACIVSA-N 1 2 283.372 0.534 20 30 CCEDLO C=CCOCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354416823 526694417 /nfs/dbraw/zinc/69/44/17/526694417.db2.gz WBWYIDZADJNEGR-UHFFFAOYSA-N 1 2 264.329 0.257 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347031027 527178391 /nfs/dbraw/zinc/17/83/91/527178391.db2.gz NNZAIJCSGKKOAM-LBPRGKRZSA-N 1 2 290.367 0.739 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667247939 545141890 /nfs/dbraw/zinc/14/18/90/545141890.db2.gz NEPIUGXMZZGILC-WDEREUQCSA-N 1 2 264.329 0.555 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667252348 545142316 /nfs/dbraw/zinc/14/23/16/545142316.db2.gz GKIKFLKEJCVOEE-GHMZBOCLSA-N 1 2 266.345 0.965 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000668995159 545197000 /nfs/dbraw/zinc/19/70/00/545197000.db2.gz IQBDMEUKADJVMW-NSHDSACASA-N 1 2 250.302 0.497 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000668995159 545197001 /nfs/dbraw/zinc/19/70/01/545197001.db2.gz IQBDMEUKADJVMW-NSHDSACASA-N 1 2 250.302 0.497 20 30 CCEDLO CCN(CC)S(=O)(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000425234108 528205926 /nfs/dbraw/zinc/20/59/26/528205926.db2.gz WWKHLACBSGGJSM-UHFFFAOYSA-N 1 2 296.396 0.767 20 30 CCEDLO C=CCCOCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000672209602 545264871 /nfs/dbraw/zinc/26/48/71/545264871.db2.gz QWXFOEUXOITGBJ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)NCC#N)[C@@H](CC)CN1C(C)=O ZINC000350477820 529285212 /nfs/dbraw/zinc/28/52/12/529285212.db2.gz MHGYCGFWHMTIHB-STQMWFEESA-N 1 2 280.372 0.347 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)NCC#N)[C@@H](CC)CN1C(C)=O ZINC000350477820 529285213 /nfs/dbraw/zinc/28/52/13/529285213.db2.gz MHGYCGFWHMTIHB-STQMWFEESA-N 1 2 280.372 0.347 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000677048408 545357116 /nfs/dbraw/zinc/35/71/16/545357116.db2.gz WDNMKNSDNLKCAU-GFCCVEGCSA-N 1 2 277.368 0.211 20 30 CCEDLO CCc1nsc(N2CC[NH+](CC#CCOC)CC2)n1 ZINC000677133302 545358148 /nfs/dbraw/zinc/35/81/48/545358148.db2.gz QSGFXPRLNVFZAW-UHFFFAOYSA-N 1 2 280.397 0.872 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000685703482 545849861 /nfs/dbraw/zinc/84/98/61/545849861.db2.gz DCXMGYXKGWWNIL-AWEZNQCLSA-N 1 2 262.309 0.998 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000106332442 581118984 /nfs/dbraw/zinc/11/89/84/581118984.db2.gz QMMKQRPIIHAJRJ-LBPRGKRZSA-N 1 2 289.339 0.818 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC2OCCO2)CC1 ZINC000777712979 581131046 /nfs/dbraw/zinc/13/10/46/581131046.db2.gz FZGKMDRWPAZUMK-GFCCVEGCSA-N 1 2 253.346 0.525 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000725800780 581135692 /nfs/dbraw/zinc/13/56/92/581135692.db2.gz JMGRQQFAVVZIRL-UHFFFAOYSA-N 1 2 297.362 0.710 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725801582 581135842 /nfs/dbraw/zinc/13/58/42/581135842.db2.gz CSNFBBJRFXTJEL-UHFFFAOYSA-N 1 2 295.383 0.536 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725801582 581135847 /nfs/dbraw/zinc/13/58/47/581135847.db2.gz CSNFBBJRFXTJEL-UHFFFAOYSA-N 1 2 295.383 0.536 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000789749374 581155488 /nfs/dbraw/zinc/15/54/88/581155488.db2.gz DUBGYAMLNBMXHX-GFCCVEGCSA-N 1 2 278.356 0.811 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccnn2CC(F)F)CC1 ZINC000789948949 581165632 /nfs/dbraw/zinc/16/56/32/581165632.db2.gz DVLDPVSNHXJWPI-UHFFFAOYSA-N 1 2 282.294 0.539 20 30 CCEDLO C=C(CO)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000791300255 581213415 /nfs/dbraw/zinc/21/34/15/581213415.db2.gz IRIKPGKZRQJJSF-HNNXBMFYSA-N 1 2 290.363 0.725 20 30 CCEDLO COC/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000791345836 581216121 /nfs/dbraw/zinc/21/61/21/581216121.db2.gz SFJZGVJMNYWHEJ-RQOWECAXSA-N 1 2 281.356 0.263 20 30 CCEDLO COCC#CCON=C(N)C[NH+]1CCSCC1 ZINC000780128712 581220649 /nfs/dbraw/zinc/22/06/49/581220649.db2.gz RFFRFTINGONQLC-UHFFFAOYSA-N 1 2 257.359 0.183 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(O)c(OC)c2)CC1 ZINC000781088635 581258763 /nfs/dbraw/zinc/25/87/63/581258763.db2.gz YLBFGCFBVOLDKT-UHFFFAOYSA-N 1 2 274.320 0.792 20 30 CCEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)cc1 ZINC000781589175 581272402 /nfs/dbraw/zinc/27/24/02/581272402.db2.gz DSNLPAAIHVZXLS-UHFFFAOYSA-N 1 2 291.336 0.908 20 30 CCEDLO CC[C@@H](N[NH+]=Cc1c[nH+]ccc1N(C)C)C(=O)[O-] ZINC000793055270 581283388 /nfs/dbraw/zinc/28/33/88/581283388.db2.gz KVVRUIQMZFQJNY-SNVBAGLBSA-N 1 2 250.302 0.934 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000793864005 581316930 /nfs/dbraw/zinc/31/69/30/581316930.db2.gz GQLNKHMEJHIVIW-UHFFFAOYSA-N 1 2 299.374 0.648 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783160264 581337470 /nfs/dbraw/zinc/33/74/70/581337470.db2.gz RDKCEZBKVLZOHG-UHFFFAOYSA-N 1 2 263.272 0.616 20 30 CCEDLO Cn1c[nH+]c(CN=Nc2nccc(N3CCOCC3)n2)c1 ZINC000794519629 581373986 /nfs/dbraw/zinc/37/39/86/581373986.db2.gz DAPDRYIDUFAHPE-UHFFFAOYSA-N 1 2 287.327 0.493 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCCC3(C2)OCCO3)CCC1 ZINC000784340007 581380463 /nfs/dbraw/zinc/38/04/63/581380463.db2.gz SBKHELAHDSKODE-UHFFFAOYSA-N 1 2 279.340 0.388 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCCC3(C2)OCCO3)CCC1 ZINC000784340007 581380464 /nfs/dbraw/zinc/38/04/64/581380464.db2.gz SBKHELAHDSKODE-UHFFFAOYSA-N 1 2 279.340 0.388 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]21 ZINC000794990565 581393764 /nfs/dbraw/zinc/39/37/64/581393764.db2.gz GRKXNDNWQPNGLV-MDHDOXDCSA-N 1 2 291.351 0.146 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]21 ZINC000794990565 581393765 /nfs/dbraw/zinc/39/37/65/581393765.db2.gz GRKXNDNWQPNGLV-MDHDOXDCSA-N 1 2 291.351 0.146 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794986777 581393840 /nfs/dbraw/zinc/39/38/40/581393840.db2.gz MFMUKMLLTUTHPG-ZOBORPQBSA-N 1 2 299.330 0.435 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794986777 581393843 /nfs/dbraw/zinc/39/38/43/581393843.db2.gz MFMUKMLLTUTHPG-ZOBORPQBSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785844799 581423231 /nfs/dbraw/zinc/42/32/31/581423231.db2.gz XPTOJRQSQYJMDK-LBPRGKRZSA-N 1 2 291.326 0.813 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785844799 581423233 /nfs/dbraw/zinc/42/32/33/581423233.db2.gz XPTOJRQSQYJMDK-LBPRGKRZSA-N 1 2 291.326 0.813 20 30 CCEDLO Cn1nccc1C1=CC[N@H+](CC(=O)NCCC#N)CC1 ZINC000796140151 581432484 /nfs/dbraw/zinc/43/24/84/581432484.db2.gz DWGQTEWXDAIPBC-UHFFFAOYSA-N 1 2 273.340 0.539 20 30 CCEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000796140151 581432486 /nfs/dbraw/zinc/43/24/86/581432486.db2.gz DWGQTEWXDAIPBC-UHFFFAOYSA-N 1 2 273.340 0.539 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000786442368 581440834 /nfs/dbraw/zinc/44/08/34/581440834.db2.gz FXCPTXIUTIPOJG-GVXVVHGQSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000786442368 581440835 /nfs/dbraw/zinc/44/08/35/581440835.db2.gz FXCPTXIUTIPOJG-GVXVVHGQSA-N 1 2 264.325 0.009 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)C[C@]2(CCOC2)O1 ZINC000796560230 581443560 /nfs/dbraw/zinc/44/35/60/581443560.db2.gz SJGQYVYZGZRABO-AWEZNQCLSA-N 1 2 281.356 0.286 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)C[C@]2(CCOC2)O1 ZINC000796560230 581443562 /nfs/dbraw/zinc/44/35/62/581443562.db2.gz SJGQYVYZGZRABO-AWEZNQCLSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000787773546 581477838 /nfs/dbraw/zinc/47/78/38/581477838.db2.gz PNBGGEVJOTXMMP-SNVBAGLBSA-N 1 2 266.370 0.838 20 30 CCEDLO C[C@@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)=NO1 ZINC000765384274 581510688 /nfs/dbraw/zinc/51/06/88/581510688.db2.gz OAGCJFFIAGVMLU-MRVPVSSYSA-N 1 2 272.268 0.514 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CC/N=C/c1ccc(O)c(O)c1O ZINC000729149991 581553610 /nfs/dbraw/zinc/55/36/10/581553610.db2.gz PMEGDHUUSQQMGD-CYANDVJASA-N 1 2 280.324 0.943 20 30 CCEDLO C[C@H]1COCC[N@H+]1CC/N=C/c1ccc(O)c(O)c1O ZINC000729149991 581553615 /nfs/dbraw/zinc/55/36/15/581553615.db2.gz PMEGDHUUSQQMGD-CYANDVJASA-N 1 2 280.324 0.943 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000754182317 581578685 /nfs/dbraw/zinc/57/86/85/581578685.db2.gz DFQSQQYLNRJOON-UHFFFAOYSA-N 1 2 273.336 0.790 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nncn1CC ZINC000730098040 581645513 /nfs/dbraw/zinc/64/55/13/581645513.db2.gz SLWKHTAXYIWHFM-NSHDSACASA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nncn1CC ZINC000730098040 581645517 /nfs/dbraw/zinc/64/55/17/581645517.db2.gz SLWKHTAXYIWHFM-NSHDSACASA-N 1 2 261.329 0.012 20 30 CCEDLO C#CC[C@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000756647747 581673857 /nfs/dbraw/zinc/67/38/57/581673857.db2.gz XXTZTQMDYDCDCV-LLVKDONJSA-N 1 2 268.276 0.778 20 30 CCEDLO C#CCNC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000758209390 581727142 /nfs/dbraw/zinc/72/71/42/581727142.db2.gz JEYIDYLSSWJXAX-ZDUSSCGKSA-N 1 2 299.465 0.292 20 30 CCEDLO C#CCNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000758230752 581729667 /nfs/dbraw/zinc/72/96/67/581729667.db2.gz UDXNGBIHHNJFRL-QWRGUYRKSA-N 1 2 255.387 0.193 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741290461 581743858 /nfs/dbraw/zinc/74/38/58/581743858.db2.gz GEXFUMCRUUXDNI-IBGZPJMESA-N 1 2 288.413 0.102 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000741289468 581743961 /nfs/dbraw/zinc/74/39/61/581743961.db2.gz LRHGQWXLKCRRPF-IBGZPJMESA-N 1 2 283.397 0.203 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@H]1CCCO1 ZINC000759439308 581798888 /nfs/dbraw/zinc/79/88/88/581798888.db2.gz ZWWMQQBSJJLOIL-RKDXNWHRSA-N 1 2 289.261 0.506 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(COC)C1=O)C1CC1 ZINC000771643244 581814714 /nfs/dbraw/zinc/81/47/14/581814714.db2.gz YRQOGNIPMSOVRJ-CYBMUJFWSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(COC)C1=O)C1CC1 ZINC000771643244 581814716 /nfs/dbraw/zinc/81/47/16/581814716.db2.gz YRQOGNIPMSOVRJ-CYBMUJFWSA-N 1 2 267.329 0.551 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)CCC ZINC000743771120 581824931 /nfs/dbraw/zinc/82/49/31/581824931.db2.gz AEYCBZBQFQHJEM-JSGCOSHPSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)CCC ZINC000743771120 581824932 /nfs/dbraw/zinc/82/49/32/581824932.db2.gz AEYCBZBQFQHJEM-JSGCOSHPSA-N 1 2 252.358 0.751 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000744422962 581842086 /nfs/dbraw/zinc/84/20/86/581842086.db2.gz LADDQMFZIHMELX-VIFPVBQESA-N 1 2 261.152 0.958 20 30 CCEDLO C#C[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@H]1CCCO1 ZINC000772258839 581849394 /nfs/dbraw/zinc/84/93/94/581849394.db2.gz SQMVRWHDKAQVBK-WDEREUQCSA-N 1 2 261.329 0.839 20 30 CCEDLO C#C[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@H]1CCCO1 ZINC000772258839 581849399 /nfs/dbraw/zinc/84/93/99/581849399.db2.gz SQMVRWHDKAQVBK-WDEREUQCSA-N 1 2 261.329 0.839 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NCCC#N ZINC000745082997 581864963 /nfs/dbraw/zinc/86/49/63/581864963.db2.gz SWAKDSRETDOYJZ-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NCCC#N ZINC000745082997 581864965 /nfs/dbraw/zinc/86/49/65/581864965.db2.gz SWAKDSRETDOYJZ-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000745098362 581865659 /nfs/dbraw/zinc/86/56/59/581865659.db2.gz SWVODVDFBUVWMX-CQSZACIVSA-N 1 2 289.335 0.862 20 30 CCEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000745098362 581865661 /nfs/dbraw/zinc/86/56/61/581865661.db2.gz SWVODVDFBUVWMX-CQSZACIVSA-N 1 2 289.335 0.862 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cnccn2)CC1 ZINC000733161492 581869023 /nfs/dbraw/zinc/86/90/23/581869023.db2.gz UFOGUCGOJUVBEG-ONEGZZNKSA-N 1 2 256.309 0.267 20 30 CCEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)NC1CC1)[C@H]1CCSC1 ZINC000773979684 581951246 /nfs/dbraw/zinc/95/12/46/581951246.db2.gz JGWYWYCLIUGZCR-WDEREUQCSA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)NC1CC1)[C@H]1CCSC1 ZINC000773979684 581951250 /nfs/dbraw/zinc/95/12/50/581951250.db2.gz JGWYWYCLIUGZCR-WDEREUQCSA-N 1 2 281.381 0.411 20 30 CCEDLO Cn1ccnc(N=NCc2c[nH+]c3ccc(C#N)cn23)c1=O ZINC000748080287 581961363 /nfs/dbraw/zinc/96/13/63/581961363.db2.gz MJSGTMWYDNCHMU-UHFFFAOYSA-N 1 2 293.290 0.746 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000763242200 581992003 /nfs/dbraw/zinc/99/20/03/581992003.db2.gz STFXDQWSPPSKRD-HNNXBMFYSA-N 1 2 285.347 0.898 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000763242200 581992006 /nfs/dbraw/zinc/99/20/06/581992006.db2.gz STFXDQWSPPSKRD-HNNXBMFYSA-N 1 2 285.347 0.898 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CSC ZINC000737994852 582013013 /nfs/dbraw/zinc/01/30/13/582013013.db2.gz HOMPSNVPBASPFJ-AAEUAGOBSA-N 1 2 270.398 0.314 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)CSC ZINC000737994852 582013016 /nfs/dbraw/zinc/01/30/16/582013016.db2.gz HOMPSNVPBASPFJ-AAEUAGOBSA-N 1 2 270.398 0.314 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NC ZINC000764201948 582035911 /nfs/dbraw/zinc/03/59/11/582035911.db2.gz QNJXBKCETATWDJ-GFCCVEGCSA-N 1 2 269.389 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NC ZINC000764201948 582035914 /nfs/dbraw/zinc/03/59/14/582035914.db2.gz QNJXBKCETATWDJ-GFCCVEGCSA-N 1 2 269.389 0.867 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnc2n1CCCC2)[C@H]1CCCO1 ZINC000775800376 582040135 /nfs/dbraw/zinc/04/01/35/582040135.db2.gz OODZYPDUGPZZGS-VXGBXAGGSA-N 1 2 260.341 0.885 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)NCCC#N)CC2)S1 ZINC000750831894 582060320 /nfs/dbraw/zinc/06/03/20/582060320.db2.gz ZUYCHAHXGBCAAK-NSHDSACASA-N 1 2 295.412 0.125 20 30 CCEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1CCCO1 ZINC000776235929 582064059 /nfs/dbraw/zinc/06/40/59/582064059.db2.gz UUEGVURGZKDMKP-NWDGAFQWSA-N 1 2 276.340 0.742 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000764966813 582078774 /nfs/dbraw/zinc/07/87/74/582078774.db2.gz VXVPTWPKMRMZKA-KBPBESRZSA-N 1 2 264.369 0.825 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000752086703 582100444 /nfs/dbraw/zinc/10/04/44/582100444.db2.gz FQPJRRQRHKKOQN-CYBMUJFWSA-N 1 2 285.319 0.336 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000752086703 582100445 /nfs/dbraw/zinc/10/04/45/582100445.db2.gz FQPJRRQRHKKOQN-CYBMUJFWSA-N 1 2 285.319 0.336 20 30 CCEDLO C#CCOCC[N@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000879027877 612982467 /nfs/dbraw/zinc/98/24/67/612982467.db2.gz GNKBSLYRQKTHLO-CQSZACIVSA-N 1 2 269.341 0.680 20 30 CCEDLO C#CCOCC[N@@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000879027877 612982469 /nfs/dbraw/zinc/98/24/69/612982469.db2.gz GNKBSLYRQKTHLO-CQSZACIVSA-N 1 2 269.341 0.680 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000855408174 613001272 /nfs/dbraw/zinc/00/12/72/613001272.db2.gz QYZMAGYKUREHNA-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000855408174 613001273 /nfs/dbraw/zinc/00/12/73/613001273.db2.gz QYZMAGYKUREHNA-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931322334 612947654 /nfs/dbraw/zinc/94/76/54/612947654.db2.gz PZTAXIVVGYEMET-LLVKDONJSA-N 1 2 291.351 0.262 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931322334 612947656 /nfs/dbraw/zinc/94/76/56/612947656.db2.gz PZTAXIVVGYEMET-LLVKDONJSA-N 1 2 291.351 0.262 20 30 CCEDLO C#CCSCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900794832 613015486 /nfs/dbraw/zinc/01/54/86/613015486.db2.gz JLRILYXHDZIBNC-QBFSEMIESA-N 1 2 282.409 0.748 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279588 612950813 /nfs/dbraw/zinc/95/08/13/612950813.db2.gz CSYHAQVVBHEOGA-QWRGUYRKSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000931142233 612952305 /nfs/dbraw/zinc/95/23/05/612952305.db2.gz MCQLUGOBBDBKTD-UHFFFAOYSA-N 1 2 274.320 0.791 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](C)C[C@@H]2C)o1 ZINC000822424666 606461915 /nfs/dbraw/zinc/46/19/15/606461915.db2.gz YOWGQZHDQWCEAU-LURJTMIESA-N 1 2 276.304 0.513 20 30 CCEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](C)C[C@@H]2C)o1 ZINC000822424666 606461917 /nfs/dbraw/zinc/46/19/17/606461917.db2.gz YOWGQZHDQWCEAU-LURJTMIESA-N 1 2 276.304 0.513 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCN1CCOCC1 ZINC000878048045 613396322 /nfs/dbraw/zinc/39/63/22/613396322.db2.gz NOGYZAPPIDAJIM-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCN1CCOCC1 ZINC000878048045 613396323 /nfs/dbraw/zinc/39/63/23/613396323.db2.gz NOGYZAPPIDAJIM-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO COc1ccc(C(N)=[NH+]OC[C@@H]2COCCO2)cc1 ZINC000853655064 617237081 /nfs/dbraw/zinc/23/70/81/617237081.db2.gz RRFKUSYHYVJINO-LBPRGKRZSA-N 1 2 266.297 0.748 20 30 CCEDLO C[C@@H](C#N)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932473137 617296198 /nfs/dbraw/zinc/29/61/98/617296198.db2.gz UULXMSUUBZKDBD-XQQFMLRXSA-N 1 2 281.356 0.142 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000878831934 617297453 /nfs/dbraw/zinc/29/74/53/617297453.db2.gz NBCJQTCLDFVYKR-NSHDSACASA-N 1 2 277.315 0.160 20 30 CCEDLO C#CC[NH2+]C1CC2(CC(NC(=O)c3[nH]ncc3F)C2)C1 ZINC000964935387 612955360 /nfs/dbraw/zinc/95/53/60/612955360.db2.gz MJAWZBBVSROEMI-UHFFFAOYSA-N 1 2 276.315 0.813 20 30 CCEDLO C#CC1CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000852206092 612964750 /nfs/dbraw/zinc/96/47/50/612964750.db2.gz YEAUJSVZQOHPGW-UHFFFAOYSA-N 1 2 268.338 0.772 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846617202 612965323 /nfs/dbraw/zinc/96/53/23/612965323.db2.gz LURLTAVANJJDCA-UHFFFAOYSA-N 1 2 296.411 0.843 20 30 CCEDLO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncn[nH]1 ZINC000960316086 612971654 /nfs/dbraw/zinc/97/16/54/612971654.db2.gz CIOKBCPAHPILOQ-CHWSQXEVSA-N 1 2 281.319 0.423 20 30 CCEDLO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1nc[nH]n1 ZINC000960316086 612971655 /nfs/dbraw/zinc/97/16/55/612971655.db2.gz CIOKBCPAHPILOQ-CHWSQXEVSA-N 1 2 281.319 0.423 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000880477298 612973154 /nfs/dbraw/zinc/97/31/54/612973154.db2.gz FLIRRIIFUVIIRA-UHFFFAOYSA-N 1 2 290.367 0.815 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)CO ZINC000853450541 612982925 /nfs/dbraw/zinc/98/29/25/612982925.db2.gz BWHSSVHCGPLUEO-LLVKDONJSA-N 1 2 250.298 0.639 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000877641190 612989384 /nfs/dbraw/zinc/98/93/84/612989384.db2.gz PARDIGSMEIMMPF-CQSZACIVSA-N 1 2 292.383 0.786 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000877641190 612989385 /nfs/dbraw/zinc/98/93/85/612989385.db2.gz PARDIGSMEIMMPF-CQSZACIVSA-N 1 2 292.383 0.786 20 30 CCEDLO C#CCOCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845490827 612990507 /nfs/dbraw/zinc/99/05/07/612990507.db2.gz XOJCQYLPVDEMLD-UHFFFAOYSA-N 1 2 262.309 0.955 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000950055544 612990552 /nfs/dbraw/zinc/99/05/52/612990552.db2.gz BNUZJINWHWGEJA-VXGBXAGGSA-N 1 2 265.313 0.208 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC000950377130 612990982 /nfs/dbraw/zinc/99/09/82/612990982.db2.gz QGWWDMSNQYFRCF-WFASDCNBSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnnc(C)c2)C1 ZINC000949970317 612992907 /nfs/dbraw/zinc/99/29/07/612992907.db2.gz HPAASPMMMRQENF-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000846633028 613011283 /nfs/dbraw/zinc/01/12/83/613011283.db2.gz VSFIBSLDSZDSPP-UHFFFAOYSA-N 1 2 287.363 0.475 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000859039067 613033896 /nfs/dbraw/zinc/03/38/96/613033896.db2.gz XVQKJLCGYKJGLU-UONOGXRCSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000858861037 613038763 /nfs/dbraw/zinc/03/87/63/613038763.db2.gz YANJKWHOJZSQJS-QWRGUYRKSA-N 1 2 264.329 0.720 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000858861037 613038764 /nfs/dbraw/zinc/03/87/64/613038764.db2.gz YANJKWHOJZSQJS-QWRGUYRKSA-N 1 2 264.329 0.720 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000798364977 613060826 /nfs/dbraw/zinc/06/08/26/613060826.db2.gz ZHSOONCLVZKMNL-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000859039068 613062007 /nfs/dbraw/zinc/06/20/07/613062007.db2.gz XVQKJLCGYKJGLU-ZIAGYGMSSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000875927366 613063100 /nfs/dbraw/zinc/06/31/00/613063100.db2.gz JTAQRKDWKJUKKK-MELADBBJSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000875927366 613063103 /nfs/dbraw/zinc/06/31/03/613063103.db2.gz JTAQRKDWKJUKKK-MELADBBJSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000840297379 613064679 /nfs/dbraw/zinc/06/46/79/613064679.db2.gz JTAMKZUMSMQQSM-QWRGUYRKSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000840297379 613064680 /nfs/dbraw/zinc/06/46/80/613064680.db2.gz JTAMKZUMSMQQSM-QWRGUYRKSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000834614457 613077354 /nfs/dbraw/zinc/07/73/54/613077354.db2.gz DJGLCLAENBHBGZ-CYBMUJFWSA-N 1 2 283.335 0.592 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000812200561 613094811 /nfs/dbraw/zinc/09/48/11/613094811.db2.gz WJWRPMZVBDNKKJ-CHWSQXEVSA-N 1 2 274.324 0.589 20 30 CCEDLO C#C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000811904846 613096854 /nfs/dbraw/zinc/09/68/54/613096854.db2.gz OIVLXPXGNYPNJE-VXGBXAGGSA-N 1 2 262.313 0.400 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCCO1 ZINC000877413003 613099931 /nfs/dbraw/zinc/09/99/31/613099931.db2.gz CGTZCINXGAHSDB-GHMZBOCLSA-N 1 2 284.337 0.197 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCCO1 ZINC000877413004 613099958 /nfs/dbraw/zinc/09/99/58/613099958.db2.gz CGTZCINXGAHSDB-MNOVXSKESA-N 1 2 284.337 0.197 20 30 CCEDLO C#C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C1CCOCC1 ZINC000882414354 613100113 /nfs/dbraw/zinc/10/01/13/613100113.db2.gz DRTWWVDZJGKTKJ-CYBMUJFWSA-N 1 2 297.380 0.231 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC000941371094 613114517 /nfs/dbraw/zinc/11/45/17/613114517.db2.gz MBTWHYYFOPIUHW-UHFFFAOYSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000941373263 613114739 /nfs/dbraw/zinc/11/47/39/613114739.db2.gz YYWMHUNUSKHRIL-UHFFFAOYSA-N 1 2 273.380 0.558 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000941337197 613114782 /nfs/dbraw/zinc/11/47/82/613114782.db2.gz OIUUKLYMGQNAHM-UHFFFAOYSA-N 1 2 289.301 0.400 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868514625 613116002 /nfs/dbraw/zinc/11/60/02/613116002.db2.gz QEDZKLLSMQCSFX-ZDUSSCGKSA-N 1 2 287.367 0.368 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812021207 613123750 /nfs/dbraw/zinc/12/37/50/613123750.db2.gz UMPMTKCETXLIFB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812021207 613123752 /nfs/dbraw/zinc/12/37/52/613123752.db2.gz UMPMTKCETXLIFB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCCO1 ZINC000847759313 613133449 /nfs/dbraw/zinc/13/34/49/613133449.db2.gz TUJVTHVFEALSQQ-RYUDHWBXSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc(C)s2)CC1 ZINC000921437952 613138387 /nfs/dbraw/zinc/13/83/87/613138387.db2.gz LSXDWVCFFDZSIE-UHFFFAOYSA-N 1 2 299.421 0.827 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C1CCOCC1 ZINC000851990707 613144054 /nfs/dbraw/zinc/14/40/54/613144054.db2.gz ZPJKSKYUUPLCBB-OCCSQVGLSA-N 1 2 290.367 0.999 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC000981016193 613157058 /nfs/dbraw/zinc/15/70/58/613157058.db2.gz YDCAXRGKVCYFOW-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC000981016193 613157061 /nfs/dbraw/zinc/15/70/61/613157061.db2.gz YDCAXRGKVCYFOW-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(C)nc2OC)CC1 ZINC000981290723 613159281 /nfs/dbraw/zinc/15/92/81/613159281.db2.gz HMZUCKOTIQFGKR-UHFFFAOYSA-N 1 2 288.351 0.575 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(C)nc2OC)CC1 ZINC000981290723 613159283 /nfs/dbraw/zinc/15/92/83/613159283.db2.gz HMZUCKOTIQFGKR-UHFFFAOYSA-N 1 2 288.351 0.575 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(OCC)n2)CC1 ZINC000981551173 613159982 /nfs/dbraw/zinc/15/99/82/613159982.db2.gz OEPUISMYZYKSOG-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(OCC)n2)CC1 ZINC000981551173 613159983 /nfs/dbraw/zinc/15/99/83/613159983.db2.gz OEPUISMYZYKSOG-UHFFFAOYSA-N 1 2 277.324 0.854 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC000981412844 613160487 /nfs/dbraw/zinc/16/04/87/613160487.db2.gz ZVDPXEDCCSEKII-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC000981412844 613160490 /nfs/dbraw/zinc/16/04/90/613160490.db2.gz ZVDPXEDCCSEKII-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000852100917 613165088 /nfs/dbraw/zinc/16/50/88/613165088.db2.gz KUXMYKGBXSABQQ-NOZJJQNGSA-N 1 2 262.361 0.972 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCc2nc[nH]n2)C1 ZINC000890362278 613168097 /nfs/dbraw/zinc/16/80/97/613168097.db2.gz BIAJQBWSNNXBFX-GFCCVEGCSA-N 1 2 290.371 0.134 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCc2nc[nH]n2)C1 ZINC000890362278 613168098 /nfs/dbraw/zinc/16/80/98/613168098.db2.gz BIAJQBWSNNXBFX-GFCCVEGCSA-N 1 2 290.371 0.134 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCCF)C1 ZINC000885509907 613193259 /nfs/dbraw/zinc/19/32/59/613193259.db2.gz ZGUHQNBLGWAYFF-LBPRGKRZSA-N 1 2 276.377 0.753 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnsn2)C1 ZINC000923587572 613175128 /nfs/dbraw/zinc/17/51/28/613175128.db2.gz ZRQILEKBIDHWMT-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnsn2)C1 ZINC000923587572 613175129 /nfs/dbraw/zinc/17/51/29/613175129.db2.gz ZRQILEKBIDHWMT-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2N)C1 ZINC000885511683 613175951 /nfs/dbraw/zinc/17/59/51/613175951.db2.gz LMIHIMVAEDROED-GFCCVEGCSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2N)C1 ZINC000885511683 613175952 /nfs/dbraw/zinc/17/59/52/613175952.db2.gz LMIHIMVAEDROED-GFCCVEGCSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCC)C1 ZINC000885512446 613176176 /nfs/dbraw/zinc/17/61/76/613176176.db2.gz WDZTUNFHGODOJG-GFCCVEGCSA-N 1 2 273.402 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCC)C1 ZINC000885512446 613176178 /nfs/dbraw/zinc/17/61/78/613176178.db2.gz WDZTUNFHGODOJG-GFCCVEGCSA-N 1 2 273.402 0.260 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)cn1 ZINC000874702236 613178198 /nfs/dbraw/zinc/17/81/98/613178198.db2.gz JBSHOFHLBHYNDS-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)cn1 ZINC000874702236 613178200 /nfs/dbraw/zinc/17/82/00/613178200.db2.gz JBSHOFHLBHYNDS-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000855409690 613178503 /nfs/dbraw/zinc/17/85/03/613178503.db2.gz GLLNNFSYSDWFSS-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000855409690 613178505 /nfs/dbraw/zinc/17/85/05/613178505.db2.gz GLLNNFSYSDWFSS-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000897145384 613180283 /nfs/dbraw/zinc/18/02/83/613180283.db2.gz FECVWLHLRVDRJY-OAHLLOKOSA-N 1 2 269.348 0.398 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000885513846 613193235 /nfs/dbraw/zinc/19/32/35/613193235.db2.gz IBKHFVJSEINHLN-KGLIPLIRSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000885513846 613193236 /nfs/dbraw/zinc/19/32/36/613193236.db2.gz IBKHFVJSEINHLN-KGLIPLIRSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCCF)C1 ZINC000885509907 613193257 /nfs/dbraw/zinc/19/32/57/613193257.db2.gz ZGUHQNBLGWAYFF-LBPRGKRZSA-N 1 2 276.377 0.753 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(N)=O ZINC000882977813 613194497 /nfs/dbraw/zinc/19/44/97/613194497.db2.gz TZKAIJMXYUALBW-STQMWFEESA-N 1 2 279.384 0.442 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(N)=O ZINC000882977813 613194499 /nfs/dbraw/zinc/19/44/99/613194499.db2.gz TZKAIJMXYUALBW-STQMWFEESA-N 1 2 279.384 0.442 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC000819721132 613197598 /nfs/dbraw/zinc/19/75/98/613197598.db2.gz XKMXSDAGVKJMPI-RYUDHWBXSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC000819721132 613197599 /nfs/dbraw/zinc/19/75/99/613197599.db2.gz XKMXSDAGVKJMPI-RYUDHWBXSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819721132 613197600 /nfs/dbraw/zinc/19/76/00/613197600.db2.gz XKMXSDAGVKJMPI-RYUDHWBXSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819721132 613197601 /nfs/dbraw/zinc/19/76/01/613197601.db2.gz XKMXSDAGVKJMPI-RYUDHWBXSA-N 1 2 273.340 0.218 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC(C)C ZINC000837029836 613200779 /nfs/dbraw/zinc/20/07/79/613200779.db2.gz CYZGMDWBYXXOMN-RYUDHWBXSA-N 1 2 266.341 0.540 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC(C)C ZINC000837029836 613200780 /nfs/dbraw/zinc/20/07/80/613200780.db2.gz CYZGMDWBYXXOMN-RYUDHWBXSA-N 1 2 266.341 0.540 20 30 CCEDLO C#Cc1cccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000853092991 613209206 /nfs/dbraw/zinc/20/92/06/613209206.db2.gz YFOSMBTYZDNZHL-CYBMUJFWSA-N 1 2 261.325 0.168 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2CC=C)CC1 ZINC000908729452 613209807 /nfs/dbraw/zinc/20/98/07/613209807.db2.gz PNSGCOQWEZTRDM-UHFFFAOYSA-N 1 2 299.338 0.269 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263777 613211985 /nfs/dbraw/zinc/21/19/85/613211985.db2.gz CHHPAWKHCAYFSG-CQSZACIVSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263777 613211986 /nfs/dbraw/zinc/21/19/86/613211986.db2.gz CHHPAWKHCAYFSG-CQSZACIVSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3C)C2)C1 ZINC000972367463 613212934 /nfs/dbraw/zinc/21/29/34/613212934.db2.gz JRICKWWGMNSWRS-QGZVFWFLSA-N 1 2 299.374 0.940 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3C)C2)C1 ZINC000972367463 613212935 /nfs/dbraw/zinc/21/29/35/613212935.db2.gz JRICKWWGMNSWRS-QGZVFWFLSA-N 1 2 299.374 0.940 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504085 613214794 /nfs/dbraw/zinc/21/47/94/613214794.db2.gz DDRHCKQIUNWNFG-RISCZKNCSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504085 613214795 /nfs/dbraw/zinc/21/47/95/613214795.db2.gz DDRHCKQIUNWNFG-RISCZKNCSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940187 613222491 /nfs/dbraw/zinc/22/24/91/613222491.db2.gz CRQRNSYJXKVTNN-VXGBXAGGSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940187 613222493 /nfs/dbraw/zinc/22/24/93/613222493.db2.gz CRQRNSYJXKVTNN-VXGBXAGGSA-N 1 2 273.336 0.861 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947699519 613243649 /nfs/dbraw/zinc/24/36/49/613243649.db2.gz YUBJNUTVNZXROY-VHSXEESVSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947699519 613243652 /nfs/dbraw/zinc/24/36/52/613243652.db2.gz YUBJNUTVNZXROY-VHSXEESVSA-N 1 2 264.304 0.765 20 30 CCEDLO C/C(=C\C(=O)N1CCO[C@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC000887689926 613251211 /nfs/dbraw/zinc/25/12/11/613251211.db2.gz BISRFVDUWAYZIA-BMQCOBNYSA-N 1 2 293.367 0.406 20 30 CCEDLO C/C(=C\C(=O)NC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000900725876 613255177 /nfs/dbraw/zinc/25/51/77/613255177.db2.gz FDHJTXDXCAHZJC-JLHYYAGUSA-N 1 2 293.367 0.454 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947699518 613277495 /nfs/dbraw/zinc/27/74/95/613277495.db2.gz YUBJNUTVNZXROY-UWVGGRQHSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947699518 613277496 /nfs/dbraw/zinc/27/74/96/613277496.db2.gz YUBJNUTVNZXROY-UWVGGRQHSA-N 1 2 264.304 0.765 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC000950545840 613320533 /nfs/dbraw/zinc/32/05/33/613320533.db2.gz ZYIWTWJBEHXWSC-UHFFFAOYSA-N 1 2 276.340 0.448 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000950339949 613322235 /nfs/dbraw/zinc/32/22/35/613322235.db2.gz MQULCMJHDYVDNG-UHFFFAOYSA-N 1 2 252.293 0.883 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cnns2)CC1 ZINC000859105465 613323469 /nfs/dbraw/zinc/32/34/69/613323469.db2.gz XWHHKMKGXIASJU-UHFFFAOYSA-N 1 2 264.354 0.500 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324628 613324068 /nfs/dbraw/zinc/32/40/68/613324068.db2.gz YZZAFOROPNVHLG-CQSZACIVSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324628 613324070 /nfs/dbraw/zinc/32/40/70/613324070.db2.gz YZZAFOROPNVHLG-CQSZACIVSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023264537 613329620 /nfs/dbraw/zinc/32/96/20/613329620.db2.gz CJRRJSKBPRLSSH-UHFFFAOYSA-N 1 2 277.393 0.615 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000815293599 613330155 /nfs/dbraw/zinc/33/01/55/613330155.db2.gz IYLRCNAVDKKZTM-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000815293599 613330157 /nfs/dbraw/zinc/33/01/57/613330157.db2.gz IYLRCNAVDKKZTM-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO C=C(C)CON1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000843313169 613352315 /nfs/dbraw/zinc/35/23/15/613352315.db2.gz MNMSRKZEYIKHCW-VIFPVBQESA-N 1 2 250.258 0.380 20 30 CCEDLO C=C(C)CON1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000843313169 613352316 /nfs/dbraw/zinc/35/23/16/613352316.db2.gz MNMSRKZEYIKHCW-VIFPVBQESA-N 1 2 250.258 0.380 20 30 CCEDLO C=C(C)CONC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923079888 613353577 /nfs/dbraw/zinc/35/35/77/613353577.db2.gz HMGULRQULKXGRZ-LBPRGKRZSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922734748 613354375 /nfs/dbraw/zinc/35/43/75/613354375.db2.gz HWVDGLXKJFBSNJ-XXYUJHKVSA-N 1 2 282.384 0.708 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)C(C)(C)C1 ZINC000974627014 613379868 /nfs/dbraw/zinc/37/98/68/613379868.db2.gz UQDPFNFRQJDUIA-LLVKDONJSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)C(C)(C)C1 ZINC000974627014 613379869 /nfs/dbraw/zinc/37/98/69/613379869.db2.gz UQDPFNFRQJDUIA-LLVKDONJSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC000958289425 613380459 /nfs/dbraw/zinc/38/04/59/613380459.db2.gz VNMWBLCHRHMEHP-NXEZZACHSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC000958289425 613380460 /nfs/dbraw/zinc/38/04/60/613380460.db2.gz VNMWBLCHRHMEHP-NXEZZACHSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899277 613380544 /nfs/dbraw/zinc/38/05/44/613380544.db2.gz ZHXZLINHKNRZDU-ONGXEEELSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899277 613380545 /nfs/dbraw/zinc/38/05/45/613380545.db2.gz ZHXZLINHKNRZDU-ONGXEEELSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000881426434 613391148 /nfs/dbraw/zinc/39/11/48/613391148.db2.gz GYPDKPJSWWKEEW-VIFPVBQESA-N 1 2 290.776 0.307 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)OC)CC1 ZINC000877937773 613396242 /nfs/dbraw/zinc/39/62/42/613396242.db2.gz RQFHRLRBMRLXDX-NSHDSACASA-N 1 2 255.314 0.989 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000878255504 613397619 /nfs/dbraw/zinc/39/76/19/613397619.db2.gz QOUOKUQJUVWHQA-BUXKBTBVSA-N 1 2 288.413 0.100 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975024601 613401668 /nfs/dbraw/zinc/40/16/68/613401668.db2.gz GTDGLWFRHPZAPB-NSHDSACASA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975024601 613401669 /nfs/dbraw/zinc/40/16/69/613401669.db2.gz GTDGLWFRHPZAPB-NSHDSACASA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000878151222 613413438 /nfs/dbraw/zinc/41/34/38/613413438.db2.gz VPUTWUUIEPXVIY-GFCCVEGCSA-N 1 2 277.324 0.256 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000878151222 613413441 /nfs/dbraw/zinc/41/34/41/613413441.db2.gz VPUTWUUIEPXVIY-GFCCVEGCSA-N 1 2 277.324 0.256 20 30 CCEDLO C=C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934527579 613442881 /nfs/dbraw/zinc/44/28/81/613442881.db2.gz DUBWBPXWHSBJIA-UPJWGTAASA-N 1 2 268.357 0.557 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000879307095 613444608 /nfs/dbraw/zinc/44/46/08/613444608.db2.gz PNRWITOHPRDATP-CYBMUJFWSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000932526990 613448699 /nfs/dbraw/zinc/44/86/99/613448699.db2.gz NSUYCWSKAOQEBE-QWHCGFSZSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000932526990 613448700 /nfs/dbraw/zinc/44/87/00/613448700.db2.gz NSUYCWSKAOQEBE-QWHCGFSZSA-N 1 2 253.390 0.951 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546939 613453516 /nfs/dbraw/zinc/45/35/16/613453516.db2.gz BARQWOPLSCNDIE-CYBMUJFWSA-N 1 2 252.358 0.890 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546939 613453518 /nfs/dbraw/zinc/45/35/18/613453518.db2.gz BARQWOPLSCNDIE-CYBMUJFWSA-N 1 2 252.358 0.890 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000815465526 613454167 /nfs/dbraw/zinc/45/41/67/613454167.db2.gz GSLXSFXREUVKRI-JTQLQIEISA-N 1 2 262.300 0.723 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838002505 613468159 /nfs/dbraw/zinc/46/81/59/613468159.db2.gz ZNLLCLOGBMYMMP-RQJABVFESA-N 1 2 281.352 0.984 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838002505 613468160 /nfs/dbraw/zinc/46/81/60/613468160.db2.gz ZNLLCLOGBMYMMP-RQJABVFESA-N 1 2 281.352 0.984 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925297182 613471914 /nfs/dbraw/zinc/47/19/14/613471914.db2.gz FLCMRHASUYPRMT-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297182 613471915 /nfs/dbraw/zinc/47/19/15/613471915.db2.gz FLCMRHASUYPRMT-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923086752 613487313 /nfs/dbraw/zinc/48/73/13/613487313.db2.gz PBXBXFCSZQCOCD-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923086751 613487844 /nfs/dbraw/zinc/48/78/44/613487844.db2.gz PBXBXFCSZQCOCD-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875725685 613569256 /nfs/dbraw/zinc/56/92/56/613569256.db2.gz YEYKSHBONBQDBV-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875725685 613569259 /nfs/dbraw/zinc/56/92/59/613569259.db2.gz YEYKSHBONBQDBV-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)OC)CC2)C1 ZINC000941339571 613529681 /nfs/dbraw/zinc/52/96/81/613529681.db2.gz WQZCRWQLJKKPDU-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC000948562229 613562082 /nfs/dbraw/zinc/56/20/82/613562082.db2.gz NRCZQPQLEVTPIF-UHFFFAOYSA-N 1 2 288.395 0.829 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC000948703625 613562352 /nfs/dbraw/zinc/56/23/52/613562352.db2.gz SRLIBWLDQKOUPS-LSDHHAIUSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2OC)CC1 ZINC000950561696 613568821 /nfs/dbraw/zinc/56/88/21/613568821.db2.gz HHTGXCOEXRTHSA-UHFFFAOYSA-N 1 2 289.335 0.577 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972256653 613570694 /nfs/dbraw/zinc/57/06/94/613570694.db2.gz OAKZARVZYQMBFS-MRXNPFEDSA-N 1 2 287.363 0.955 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972256653 613570695 /nfs/dbraw/zinc/57/06/95/613570695.db2.gz OAKZARVZYQMBFS-MRXNPFEDSA-N 1 2 287.363 0.955 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972256652 613571130 /nfs/dbraw/zinc/57/11/30/613571130.db2.gz OAKZARVZYQMBFS-INIZCTEOSA-N 1 2 287.363 0.955 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972256652 613571134 /nfs/dbraw/zinc/57/11/34/613571134.db2.gz OAKZARVZYQMBFS-INIZCTEOSA-N 1 2 287.363 0.955 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928638006 613572914 /nfs/dbraw/zinc/57/29/14/613572914.db2.gz FEJCFIHIRCOUKM-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992045 613591783 /nfs/dbraw/zinc/59/17/83/613591783.db2.gz ZWEKCDRTZXULJN-AWEZNQCLSA-N 1 2 280.372 0.562 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](CCF)C2)nn1 ZINC000970550916 613595106 /nfs/dbraw/zinc/59/51/06/613595106.db2.gz ADTLVFJFFDGBMK-NSHDSACASA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(OC)OC)nn1 ZINC000922314408 613598966 /nfs/dbraw/zinc/59/89/66/613598966.db2.gz YBFCXGDXBUANLN-JTQLQIEISA-N 1 2 254.334 0.951 20 30 CCEDLO C=CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H](C)COC ZINC000869237370 613607241 /nfs/dbraw/zinc/60/72/41/613607241.db2.gz GBUWPFFKWBAXND-GXSJLCMTSA-N 1 2 253.302 0.493 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC000950989278 613655301 /nfs/dbraw/zinc/65/53/01/613655301.db2.gz JMFSKPWGCMKILS-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC000957326924 613655537 /nfs/dbraw/zinc/65/55/37/613655537.db2.gz WKMPIDAUNJZKDB-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000980764248 613699825 /nfs/dbraw/zinc/69/98/25/613699825.db2.gz FNOBBWTUOWWUNO-UHFFFAOYSA-N 1 2 252.343 0.872 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000980764248 613699826 /nfs/dbraw/zinc/69/98/26/613699826.db2.gz FNOBBWTUOWWUNO-UHFFFAOYSA-N 1 2 252.343 0.872 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000952382647 613709312 /nfs/dbraw/zinc/70/93/12/613709312.db2.gz CONTZYBYLYXYEE-UHFFFAOYSA-N 1 2 292.339 0.069 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC000949265928 613709484 /nfs/dbraw/zinc/70/94/84/613709484.db2.gz MMIUYDJDVWXDGK-UHFFFAOYSA-N 1 2 262.357 0.601 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000949498621 613710423 /nfs/dbraw/zinc/71/04/23/613710423.db2.gz OMSBTNCWIYAXRZ-OLZOCXBDSA-N 1 2 268.357 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000948607090 613712953 /nfs/dbraw/zinc/71/29/53/613712953.db2.gz ARBMZTIJLNAAJK-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC000948843582 613713443 /nfs/dbraw/zinc/71/34/43/613713443.db2.gz DMXCCELGJDYQGD-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000948927168 613713483 /nfs/dbraw/zinc/71/34/83/613713483.db2.gz YZASNYMPCPGNJH-ZDUSSCGKSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc(=O)n2C)CC1 ZINC000950424206 613716759 /nfs/dbraw/zinc/71/67/59/613716759.db2.gz IKDPZTUEWJOBOJ-UHFFFAOYSA-N 1 2 261.325 0.329 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC000948574206 613717688 /nfs/dbraw/zinc/71/76/88/613717688.db2.gz IHZJNMDYMCZRPY-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1 ZINC000948577024 613718028 /nfs/dbraw/zinc/71/80/28/613718028.db2.gz AWZBHTRRRDLNDC-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932438747 613845391 /nfs/dbraw/zinc/84/53/91/613845391.db2.gz LWCKYDQFSLRSCU-NSHDSACASA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932438747 613845392 /nfs/dbraw/zinc/84/53/92/613845392.db2.gz LWCKYDQFSLRSCU-NSHDSACASA-N 1 2 267.373 0.668 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925979485 613847339 /nfs/dbraw/zinc/84/73/39/613847339.db2.gz NJRANPWWWMEXNW-SECBINFHSA-N 1 2 251.334 0.559 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1c(C)noc1C ZINC000884007233 613877450 /nfs/dbraw/zinc/87/74/50/613877450.db2.gz USJRYQUBJUAZHT-LBPRGKRZSA-N 1 2 295.339 0.696 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1C1CC1 ZINC000884314942 613877851 /nfs/dbraw/zinc/87/78/51/613877851.db2.gz BEKDGXXICNWRJI-RYUDHWBXSA-N 1 2 282.340 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000884087521 613877937 /nfs/dbraw/zinc/87/79/37/613877937.db2.gz GGKKCZQEXUEGLP-AXFHLTTASA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000884107637 613877955 /nfs/dbraw/zinc/87/79/55/613877955.db2.gz BGYRJBUQTBSQEK-AXFHLTTASA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C1 ZINC000884128876 613878041 /nfs/dbraw/zinc/87/80/41/613878041.db2.gz PZIZIHFXJRQIGC-ZDUSSCGKSA-N 1 2 274.320 0.975 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CC1(F)F ZINC000884406871 613878376 /nfs/dbraw/zinc/87/83/76/613878376.db2.gz KFZVZBPWEJGLGS-GZMMTYOYSA-N 1 2 276.283 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](OC)C(C)(C)C ZINC000884167221 613878451 /nfs/dbraw/zinc/87/84/51/613878451.db2.gz YNOOFENJIFZQOP-QWRGUYRKSA-N 1 2 286.372 0.610 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](SC)C1 ZINC000884159576 613878766 /nfs/dbraw/zinc/87/87/66/613878766.db2.gz HGAGLWGQDACKLN-DCAQKATOSA-N 1 2 286.397 0.833 20 30 CCEDLO C=CCOCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907270490 613880505 /nfs/dbraw/zinc/88/05/05/613880505.db2.gz QEYXLYZAKTZBFC-QBFSEMIESA-N 1 2 268.357 0.584 20 30 CCEDLO C=CCONC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000838709790 613883360 /nfs/dbraw/zinc/88/33/60/613883360.db2.gz KKTRANRDROBXQJ-NSHDSACASA-N 1 2 257.334 0.466 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848546770 613885825 /nfs/dbraw/zinc/88/58/25/613885825.db2.gz DOIBYBXXDWKNDR-UHFFFAOYSA-N 1 2 283.397 0.910 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(OC)no1 ZINC000926127707 613886042 /nfs/dbraw/zinc/88/60/42/613886042.db2.gz ZHQKTBRJUBOEFB-SECBINFHSA-N 1 2 274.342 0.935 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000828100112 614071413 /nfs/dbraw/zinc/07/14/13/614071413.db2.gz ZMMUNGRINNFQGG-PXAZEXFGSA-N 1 2 257.403 0.531 20 30 CCEDLO CCCCN(O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000900683399 614961460 /nfs/dbraw/zinc/96/14/60/614961460.db2.gz WWBQBBXYTYXELI-OLZOCXBDSA-N 1 2 286.372 0.884 20 30 CCEDLO CCOC(C[NH+]1CCN(C(=O)CC#N)CC1)OCC ZINC000846958569 615203463 /nfs/dbraw/zinc/20/34/63/615203463.db2.gz UHGRUNYIAXENKN-UHFFFAOYSA-N 1 2 269.345 0.443 20 30 CCEDLO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000878816791 615225452 /nfs/dbraw/zinc/22/54/52/615225452.db2.gz KGBPAQSVHWGXOS-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907392528 615259480 /nfs/dbraw/zinc/25/94/80/615259480.db2.gz DOKNQADJMFXSGO-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907392528 615259481 /nfs/dbraw/zinc/25/94/81/615259481.db2.gz DOKNQADJMFXSGO-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059848 615365542 /nfs/dbraw/zinc/36/55/42/615365542.db2.gz ZYWFFVVOMUZQMM-STQMWFEESA-N 1 2 281.356 0.096 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccnc(C#N)n1 ZINC000895800898 615476410 /nfs/dbraw/zinc/47/64/10/615476410.db2.gz JKWUMNXLKHDNGU-NSHDSACASA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccncc1C#N ZINC000895802603 615476526 /nfs/dbraw/zinc/47/65/26/615476526.db2.gz UXSURPQBXUJORE-ZDUSSCGKSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)ncn1 ZINC000895801218 615480320 /nfs/dbraw/zinc/48/03/20/615480320.db2.gz NRVWAGFIIRVUPD-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC1 ZINC000874710391 615566922 /nfs/dbraw/zinc/56/69/22/615566922.db2.gz IAMMITHCIIEKGI-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#CC1CC1 ZINC000874710391 615566923 /nfs/dbraw/zinc/56/69/23/615566923.db2.gz IAMMITHCIIEKGI-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccnc(C#N)n1 ZINC000895800897 615714749 /nfs/dbraw/zinc/71/47/49/615714749.db2.gz JKWUMNXLKHDNGU-LLVKDONJSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000874712511 615929425 /nfs/dbraw/zinc/92/94/25/615929425.db2.gz YJXTXCAGUPHTED-LBPRGKRZSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000874712511 615929427 /nfs/dbraw/zinc/92/94/27/615929427.db2.gz YJXTXCAGUPHTED-LBPRGKRZSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1nccnc1C#N ZINC000872772229 615929964 /nfs/dbraw/zinc/92/99/64/615929964.db2.gz RBYGJLLRGOGHOW-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1nccnc1C#N ZINC000872772229 615929966 /nfs/dbraw/zinc/92/99/66/615929966.db2.gz RBYGJLLRGOGHOW-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)[C@@H](CC)CO1 ZINC000844388529 615931200 /nfs/dbraw/zinc/93/12/00/615931200.db2.gz SOTQSUXGHYZVIT-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)[C@@H](CC)CO1 ZINC000844388529 615931202 /nfs/dbraw/zinc/93/12/02/615931202.db2.gz SOTQSUXGHYZVIT-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NCc1ccccc1)C[C@H](O)CC#N ZINC000929990763 616047969 /nfs/dbraw/zinc/04/79/69/616047969.db2.gz RHGJFCDNTUHUJP-CYBMUJFWSA-N 1 2 261.325 0.509 20 30 CCEDLO C[N@H+](CC(=O)NCc1ccccc1)C[C@H](O)CC#N ZINC000929990763 616047970 /nfs/dbraw/zinc/04/79/70/616047970.db2.gz RHGJFCDNTUHUJP-CYBMUJFWSA-N 1 2 261.325 0.509 20 30 CCEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)[C@@H]1CCSC1 ZINC000123221105 616050878 /nfs/dbraw/zinc/05/08/78/616050878.db2.gz MIZFPOUICQEWTC-VXGBXAGGSA-N 1 2 295.408 0.755 20 30 CCEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)[C@@H]1CCSC1 ZINC000123221105 616050879 /nfs/dbraw/zinc/05/08/79/616050879.db2.gz MIZFPOUICQEWTC-VXGBXAGGSA-N 1 2 295.408 0.755 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](CO)C1 ZINC000912739335 616229666 /nfs/dbraw/zinc/22/96/66/616229666.db2.gz XBKUTBCRKVOKSC-NSHDSACASA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](CO)C1 ZINC000912739335 616229667 /nfs/dbraw/zinc/22/96/67/616229667.db2.gz XBKUTBCRKVOKSC-NSHDSACASA-N 1 2 293.754 0.960 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000886656366 616527700 /nfs/dbraw/zinc/52/77/00/616527700.db2.gz BRMSMMJFNZSXOI-UHFFFAOYSA-N 1 2 276.340 0.262 20 30 CCEDLO COCC#CC[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860080695 616528315 /nfs/dbraw/zinc/52/83/15/616528315.db2.gz LFIAGEAJXHBXMJ-UHFFFAOYSA-N 1 2 273.340 0.482 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1CCO[C@@H](C)C#N ZINC000805817122 616710222 /nfs/dbraw/zinc/71/02/22/616710222.db2.gz ZVJZIJJDEOSJAP-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCO[C@@H](C)C#N ZINC000805817122 616710218 /nfs/dbraw/zinc/71/02/18/616710218.db2.gz ZVJZIJJDEOSJAP-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC000840483395 616726787 /nfs/dbraw/zinc/72/67/87/616726787.db2.gz KECCTABJKMONGR-UHFFFAOYSA-N 1 2 280.368 0.205 20 30 CCEDLO CNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810534640 616838499 /nfs/dbraw/zinc/83/84/99/616838499.db2.gz ZBGQQXUSOHQRJA-NOZJJQNGSA-N 1 2 269.320 0.654 20 30 CCEDLO CNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810534640 616838503 /nfs/dbraw/zinc/83/85/03/616838503.db2.gz ZBGQQXUSOHQRJA-NOZJJQNGSA-N 1 2 269.320 0.654 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCO[C@@H](C)C#N)O1 ZINC000933203341 616958121 /nfs/dbraw/zinc/95/81/21/616958121.db2.gz YCTHLBDOWAPSCL-ZQDZILKHSA-N 1 2 298.383 0.810 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCO[C@@H](C)C#N)O1 ZINC000933203341 616958124 /nfs/dbraw/zinc/95/81/24/616958124.db2.gz YCTHLBDOWAPSCL-ZQDZILKHSA-N 1 2 298.383 0.810 20 30 CCEDLO COC(=O)c1oc(CO[NH+]=C(N)CCO)cc1C ZINC000185443262 625417099 /nfs/dbraw/zinc/41/70/99/625417099.db2.gz JFEMQCFFTIBZBL-UHFFFAOYSA-N 1 2 256.258 0.546 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972573366 623039804 /nfs/dbraw/zinc/03/98/04/623039804.db2.gz VMSNJJJCDWVMHP-CJNGLKHVSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972573366 623039811 /nfs/dbraw/zinc/03/98/11/623039811.db2.gz VMSNJJJCDWVMHP-CJNGLKHVSA-N 1 2 274.364 0.723 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001011280086 623071110 /nfs/dbraw/zinc/07/11/10/623071110.db2.gz SKJCGYUALJDUER-LLVKDONJSA-N 1 2 289.339 0.173 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001011280086 623071119 /nfs/dbraw/zinc/07/11/19/623071119.db2.gz SKJCGYUALJDUER-LLVKDONJSA-N 1 2 289.339 0.173 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972614271 623084948 /nfs/dbraw/zinc/08/49/48/623084948.db2.gz KDVFKFAJHOWMTQ-CVEARBPZSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972614271 623084957 /nfs/dbraw/zinc/08/49/57/623084957.db2.gz KDVFKFAJHOWMTQ-CVEARBPZSA-N 1 2 292.379 0.350 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)cc1 ZINC001024591454 623384502 /nfs/dbraw/zinc/38/45/02/623384502.db2.gz DQJMQZOGSGVZSO-OAHLLOKOSA-N 1 2 299.374 0.738 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)cc1 ZINC001024591454 623384510 /nfs/dbraw/zinc/38/45/10/623384510.db2.gz DQJMQZOGSGVZSO-OAHLLOKOSA-N 1 2 299.374 0.738 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC000970129648 624613137 /nfs/dbraw/zinc/61/31/37/624613137.db2.gz PAPAPFWJFXYSTD-NWDGAFQWSA-N 1 2 261.329 0.548 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288444463 624627680 /nfs/dbraw/zinc/62/76/80/624627680.db2.gz USTRYXYJJHRLOR-LLVKDONJSA-N 1 2 267.354 0.942 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022285777 624910234 /nfs/dbraw/zinc/91/02/34/624910234.db2.gz LPZODPJZPNZQBN-PHIMTYICSA-N 1 2 269.308 0.937 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000891895828 624982028 /nfs/dbraw/zinc/98/20/28/624982028.db2.gz OKFOVCNBJYRHEQ-GXTWGEPZSA-N 1 2 296.371 0.031 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449243 625888193 /nfs/dbraw/zinc/88/81/93/625888193.db2.gz VNFWNYJRKZSDDX-JHJVBQTASA-N 1 2 287.367 0.960 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449243 625888199 /nfs/dbraw/zinc/88/81/99/625888199.db2.gz VNFWNYJRKZSDDX-JHJVBQTASA-N 1 2 287.367 0.960 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC001009804712 630785791 /nfs/dbraw/zinc/78/57/91/630785791.db2.gz XVHRKQHQPSOVAF-HNNXBMFYSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC001009804712 630785797 /nfs/dbraw/zinc/78/57/97/630785797.db2.gz XVHRKQHQPSOVAF-HNNXBMFYSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1C ZINC001027747004 630891786 /nfs/dbraw/zinc/89/17/86/630891786.db2.gz HMFCJWRGKDRYCB-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1C ZINC001027747004 630891790 /nfs/dbraw/zinc/89/17/90/630891790.db2.gz HMFCJWRGKDRYCB-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792224 630921146 /nfs/dbraw/zinc/92/11/46/630921146.db2.gz LYVZDBRZXJXBNH-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792224 630921149 /nfs/dbraw/zinc/92/11/49/630921149.db2.gz LYVZDBRZXJXBNH-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000968471744 650016305 /nfs/dbraw/zinc/01/63/05/650016305.db2.gz KCCGMKMTFRWQLU-WDEREUQCSA-N 1 2 261.329 0.302 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007095460 650066001 /nfs/dbraw/zinc/06/60/01/650066001.db2.gz ASXTXKIZIPOGCI-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007095460 650066002 /nfs/dbraw/zinc/06/60/02/650066002.db2.gz ASXTXKIZIPOGCI-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(CC#N)CC1 ZINC000989564992 633327937 /nfs/dbraw/zinc/32/79/37/633327937.db2.gz WYJUWDWOZYWYMN-UHFFFAOYSA-N 1 2 261.329 0.319 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014590632 633557425 /nfs/dbraw/zinc/55/74/25/633557425.db2.gz RKULYVZZDACRDD-SNVBAGLBSA-N 1 2 269.736 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014590632 633557428 /nfs/dbraw/zinc/55/74/28/633557428.db2.gz RKULYVZZDACRDD-SNVBAGLBSA-N 1 2 269.736 0.221 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000899062119 633729563 /nfs/dbraw/zinc/72/95/63/633729563.db2.gz UCYNPCQSMXPQOK-UHFFFAOYSA-N 1 2 291.307 0.330 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)o1 ZINC000899062119 633729569 /nfs/dbraw/zinc/72/95/69/633729569.db2.gz UCYNPCQSMXPQOK-UHFFFAOYSA-N 1 2 291.307 0.330 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2conc2COC)C1 ZINC001009167031 650138982 /nfs/dbraw/zinc/13/89/82/650138982.db2.gz IXAKGWCWHNYWQV-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2conc2COC)C1 ZINC001009167031 650138983 /nfs/dbraw/zinc/13/89/83/650138983.db2.gz IXAKGWCWHNYWQV-NSHDSACASA-N 1 2 277.324 0.648 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010754744 650261453 /nfs/dbraw/zinc/26/14/53/650261453.db2.gz RANMEWHWZWKMME-GFCCVEGCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010754744 650261455 /nfs/dbraw/zinc/26/14/55/650261455.db2.gz RANMEWHWZWKMME-GFCCVEGCSA-N 1 2 285.775 0.408 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913460488 636813534 /nfs/dbraw/zinc/81/35/34/636813534.db2.gz JTEPVSILDDYPCH-GXTWGEPZSA-N 1 2 275.356 0.833 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992829217 637615970 /nfs/dbraw/zinc/61/59/70/637615970.db2.gz DPRZYCVEZGXYMA-FPMFFAJLSA-N 1 2 287.367 0.692 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001007165480 638204753 /nfs/dbraw/zinc/20/47/53/638204753.db2.gz HCIMXEPJPXKCLX-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001007165480 638204756 /nfs/dbraw/zinc/20/47/56/638204756.db2.gz HCIMXEPJPXKCLX-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO COCc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000179692012 638238521 /nfs/dbraw/zinc/23/85/21/638238521.db2.gz RZTGZSDZMCNQQG-UHFFFAOYSA-N 1 2 277.284 0.643 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000179986966 638252324 /nfs/dbraw/zinc/25/23/24/638252324.db2.gz MCVJCTOSTYGHLM-UHFFFAOYSA-N 1 2 252.358 0.971 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC000996504666 638820810 /nfs/dbraw/zinc/82/08/10/638820810.db2.gz DTGLCJMPVWJTON-JTQLQIEISA-N 1 2 297.790 0.926 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996561197 638822254 /nfs/dbraw/zinc/82/22/54/638822254.db2.gz IDCIAXJMTLVJPQ-LBPRGKRZSA-N 1 2 275.356 0.611 20 30 CCEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NCC#N ZINC000996712766 638829751 /nfs/dbraw/zinc/82/97/51/638829751.db2.gz GSYJHIATVPWHGV-LLVKDONJSA-N 1 2 261.329 0.233 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999838293 639001578 /nfs/dbraw/zinc/00/15/78/639001578.db2.gz UTSBVFRTPWYULQ-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001014598582 650465432 /nfs/dbraw/zinc/46/54/32/650465432.db2.gz XXUYRJQTWCJNEJ-NSHDSACASA-N 1 2 296.330 0.360 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001014598582 650465434 /nfs/dbraw/zinc/46/54/34/650465434.db2.gz XXUYRJQTWCJNEJ-NSHDSACASA-N 1 2 296.330 0.360 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016234442 639205419 /nfs/dbraw/zinc/20/54/19/639205419.db2.gz UZTOSVWLFKYGQH-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016234442 639205422 /nfs/dbraw/zinc/20/54/22/639205422.db2.gz UZTOSVWLFKYGQH-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)c2cn[nH]n2)CC1 ZINC001001580972 639319143 /nfs/dbraw/zinc/31/91/43/639319143.db2.gz RNIUCZZQMAYKTA-UHFFFAOYSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)c2cnn[nH]2)CC1 ZINC001001580972 639319154 /nfs/dbraw/zinc/31/91/54/639319154.db2.gz RNIUCZZQMAYKTA-UHFFFAOYSA-N 1 2 283.763 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001014823531 650492244 /nfs/dbraw/zinc/49/22/44/650492244.db2.gz YETWOKIVJZJQOO-LBPRGKRZSA-N 1 2 273.336 0.131 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001014823531 650492246 /nfs/dbraw/zinc/49/22/46/650492246.db2.gz YETWOKIVJZJQOO-LBPRGKRZSA-N 1 2 273.336 0.131 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000768 650513617 /nfs/dbraw/zinc/51/36/17/650513617.db2.gz RIIPRNYIJGPUQJ-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015065608 650523066 /nfs/dbraw/zinc/52/30/66/650523066.db2.gz GDEODLRYOYKBJN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015065608 650523071 /nfs/dbraw/zinc/52/30/71/650523071.db2.gz GDEODLRYOYKBJN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015065608 650523074 /nfs/dbraw/zinc/52/30/74/650523074.db2.gz GDEODLRYOYKBJN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015065608 650523078 /nfs/dbraw/zinc/52/30/78/650523078.db2.gz GDEODLRYOYKBJN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780893112 640423477 /nfs/dbraw/zinc/42/34/77/640423477.db2.gz TXHCFTYNYFGJHH-FZMZJTMJSA-N 1 2 284.319 0.993 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000801909478 640672893 /nfs/dbraw/zinc/67/28/93/640672893.db2.gz CUEDXEPEZPXRPE-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015694698 650610783 /nfs/dbraw/zinc/61/07/83/650610783.db2.gz BCPDMZXHUIFLPL-ZWNOBZJWSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001015694698 650610786 /nfs/dbraw/zinc/61/07/86/650610786.db2.gz BCPDMZXHUIFLPL-ZWNOBZJWSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@H]1C(N=NC2=NC(=O)C(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC000811646275 640983041 /nfs/dbraw/zinc/98/30/41/640983041.db2.gz SVAFXYVGNUCBMU-JTQLQIEISA-N 1 2 299.334 0.239 20 30 CCEDLO C[C@H]1C(N=NC2=NC(=O)C(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC000811646275 640983046 /nfs/dbraw/zinc/98/30/46/640983046.db2.gz SVAFXYVGNUCBMU-JTQLQIEISA-N 1 2 299.334 0.239 20 30 CCEDLO Cc1ncc(CO)c(/C=N\Cc2c[nH+]cn2C)c1O ZINC000811624705 640983455 /nfs/dbraw/zinc/98/34/55/640983455.db2.gz NSVUQJMNMFXNTO-NSIKDUERSA-N 1 2 260.297 0.941 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1=O ZINC000812291933 640997436 /nfs/dbraw/zinc/99/74/36/640997436.db2.gz DBMAUYRFAXXKOX-CYBMUJFWSA-N 1 2 269.308 0.821 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](n3cccn3)C2)c1=O ZINC000812291933 640997440 /nfs/dbraw/zinc/99/74/40/640997440.db2.gz DBMAUYRFAXXKOX-CYBMUJFWSA-N 1 2 269.308 0.821 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001015939535 650660339 /nfs/dbraw/zinc/66/03/39/650660339.db2.gz VLCHROVAGLRBKT-LLVKDONJSA-N 1 2 259.309 0.121 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001015939535 650660340 /nfs/dbraw/zinc/66/03/40/650660340.db2.gz VLCHROVAGLRBKT-LLVKDONJSA-N 1 2 259.309 0.121 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016347804 650720734 /nfs/dbraw/zinc/72/07/34/650720734.db2.gz KPQGWYQHCHTKTI-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016347804 650720737 /nfs/dbraw/zinc/72/07/37/650720737.db2.gz KPQGWYQHCHTKTI-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001017408299 650799680 /nfs/dbraw/zinc/79/96/80/650799680.db2.gz AMSBPSNELBMECS-CRWXNKLISA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001017408299 650799686 /nfs/dbraw/zinc/79/96/86/650799686.db2.gz AMSBPSNELBMECS-CRWXNKLISA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001017599105 650812782 /nfs/dbraw/zinc/81/27/82/650812782.db2.gz NPEBFIPWJJLCDO-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001017599105 650812783 /nfs/dbraw/zinc/81/27/83/650812783.db2.gz NPEBFIPWJJLCDO-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1CC ZINC001017704903 650818367 /nfs/dbraw/zinc/81/83/67/650818367.db2.gz RBCKQNBXBOPJQI-BETUJISGSA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1CC ZINC001017704903 650818371 /nfs/dbraw/zinc/81/83/71/650818371.db2.gz RBCKQNBXBOPJQI-BETUJISGSA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c(=O)c1 ZINC001017640865 650815189 /nfs/dbraw/zinc/81/51/89/650815189.db2.gz GSIZTYVZBJKDLJ-TXEJJXNPSA-N 1 2 272.308 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c(=O)c1 ZINC001017640865 650815190 /nfs/dbraw/zinc/81/51/90/650815190.db2.gz GSIZTYVZBJKDLJ-TXEJJXNPSA-N 1 2 272.308 0.104 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1C1CC1 ZINC000844133805 643160377 /nfs/dbraw/zinc/16/03/77/643160377.db2.gz AMBLUTOINXMNOT-IUODEOHRSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2nccn2c1 ZINC001017733323 650819114 /nfs/dbraw/zinc/81/91/14/650819114.db2.gz HCROAZLJRHSUEV-OKILXGFUSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2nccn2c1 ZINC001017733323 650819117 /nfs/dbraw/zinc/81/91/17/650819117.db2.gz HCROAZLJRHSUEV-OKILXGFUSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)nn1C ZINC001017731847 650819124 /nfs/dbraw/zinc/81/91/24/650819124.db2.gz KGIGPXBDJARIKN-OKILXGFUSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)nn1C ZINC001017731847 650819127 /nfs/dbraw/zinc/81/91/27/650819127.db2.gz KGIGPXBDJARIKN-OKILXGFUSA-N 1 2 286.379 0.579 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)n(C)n1 ZINC001017721218 650819167 /nfs/dbraw/zinc/81/91/67/650819167.db2.gz YKGZOVKHSQXPLM-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)n(C)n1 ZINC001017721218 650819168 /nfs/dbraw/zinc/81/91/68/650819168.db2.gz YKGZOVKHSQXPLM-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001017755172 650820406 /nfs/dbraw/zinc/82/04/06/650820406.db2.gz XGTIAKCCNKAANF-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001017755172 650820408 /nfs/dbraw/zinc/82/04/08/650820408.db2.gz XGTIAKCCNKAANF-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc(C)no1 ZINC001017782737 650821690 /nfs/dbraw/zinc/82/16/90/650821690.db2.gz IPPMPJSOCRZORX-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc(C)no1 ZINC001017782737 650821693 /nfs/dbraw/zinc/82/16/93/650821693.db2.gz IPPMPJSOCRZORX-BETUJISGSA-N 1 2 288.351 0.619 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccnc12 ZINC001017784401 650822255 /nfs/dbraw/zinc/82/22/55/650822255.db2.gz GNSAJRSTECBHHD-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccnc12 ZINC001017784401 650822259 /nfs/dbraw/zinc/82/22/59/650822259.db2.gz GNSAJRSTECBHHD-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C=CCn1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC=C)C3)nn1 ZINC001018042978 650841026 /nfs/dbraw/zinc/84/10/26/650841026.db2.gz MCHPQIOIBSFNLR-BETUJISGSA-N 1 2 287.367 0.939 20 30 CCEDLO C=CCn1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC=C)C3)nn1 ZINC001018042978 650841028 /nfs/dbraw/zinc/84/10/28/650841028.db2.gz MCHPQIOIBSFNLR-BETUJISGSA-N 1 2 287.367 0.939 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn(C)c1=O ZINC001018189938 650847438 /nfs/dbraw/zinc/84/74/38/650847438.db2.gz RKYKWNRSLNHBTL-BETUJISGSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn(C)c1=O ZINC001018189938 650847441 /nfs/dbraw/zinc/84/74/41/650847441.db2.gz RKYKWNRSLNHBTL-BETUJISGSA-N 1 2 285.347 0.307 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000848129963 643597732 /nfs/dbraw/zinc/59/77/32/643597732.db2.gz CWQGDXDCEIQMLY-VHSXEESVSA-N 1 2 266.301 0.331 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCC#N)[C@H](C)CO1 ZINC000854025303 644171902 /nfs/dbraw/zinc/17/19/02/644171902.db2.gz LQCUFISVZNODNW-GHMZBOCLSA-N 1 2 254.334 0.308 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCC#N)[C@H](C)CO1 ZINC000854025303 644171908 /nfs/dbraw/zinc/17/19/08/644171908.db2.gz LQCUFISVZNODNW-GHMZBOCLSA-N 1 2 254.334 0.308 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056038 650933962 /nfs/dbraw/zinc/93/39/62/650933962.db2.gz HVXSXXXJBUCSDT-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C(F)(F)C(=O)OCC)nn1 ZINC000864643351 645259136 /nfs/dbraw/zinc/25/91/36/645259136.db2.gz FIMHZGYQCSVAGT-UHFFFAOYSA-N 1 2 272.255 0.503 20 30 CCEDLO N#CC1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC1 ZINC000868902640 645829338 /nfs/dbraw/zinc/82/93/38/645829338.db2.gz HGOGYUQOKWNXDI-HNQUOIGGSA-N 1 2 263.341 0.685 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870060333 645954976 /nfs/dbraw/zinc/95/49/76/645954976.db2.gz ABIZYCMKIBUOQI-DZGCQCFKSA-N 1 2 295.383 0.486 20 30 CCEDLO C[S@](=N)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000872101587 646210910 /nfs/dbraw/zinc/21/09/10/646210910.db2.gz VEWDOCRCFQJQGU-WVQJBOLRSA-N 1 2 256.375 0.888 20 30 CCEDLO N#CCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690142 647095364 /nfs/dbraw/zinc/09/53/64/647095364.db2.gz IMSMMRWJRSVBKR-ZDUSSCGKSA-N 1 2 285.351 0.506 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690142 647095372 /nfs/dbraw/zinc/09/53/72/647095372.db2.gz IMSMMRWJRSVBKR-ZDUSSCGKSA-N 1 2 285.351 0.506 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887688579 648143641 /nfs/dbraw/zinc/14/36/41/648143641.db2.gz MVRRSVSYRCSSQE-MFKMUULPSA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887688579 648143646 /nfs/dbraw/zinc/14/36/46/648143646.db2.gz MVRRSVSYRCSSQE-MFKMUULPSA-N 1 2 262.313 0.729 20 30 CCEDLO N#Cc1csc(CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000887978974 648179315 /nfs/dbraw/zinc/17/93/15/648179315.db2.gz ORZVBBBMTSYQOB-UHFFFAOYSA-N 1 2 261.310 0.987 20 30 CCEDLO N#Cc1csc(CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000887978974 648179317 /nfs/dbraw/zinc/17/93/17/648179317.db2.gz ORZVBBBMTSYQOB-UHFFFAOYSA-N 1 2 261.310 0.987 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817896 648908981 /nfs/dbraw/zinc/90/89/81/648908981.db2.gz AHFQZAZXYYDMRO-DOMZBBRYSA-N 1 2 295.383 0.363 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817896 648908986 /nfs/dbraw/zinc/90/89/86/648908986.db2.gz AHFQZAZXYYDMRO-DOMZBBRYSA-N 1 2 295.383 0.363 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154538 649054046 /nfs/dbraw/zinc/05/40/46/649054046.db2.gz KGFGNJPYRLBMPI-SWLSCSKDSA-N 1 2 273.336 0.595 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000932154538 649054047 /nfs/dbraw/zinc/05/40/47/649054047.db2.gz KGFGNJPYRLBMPI-SWLSCSKDSA-N 1 2 273.336 0.595 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N(CC)CC(=O)NC(C)C ZINC000934509914 649177447 /nfs/dbraw/zinc/17/74/47/649177447.db2.gz RZEGTHNDXCXFDH-CQSZACIVSA-N 1 2 293.411 0.847 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)CC(=O)NC(C)C ZINC000934509914 649177452 /nfs/dbraw/zinc/17/74/52/649177452.db2.gz RZEGTHNDXCXFDH-CQSZACIVSA-N 1 2 293.411 0.847 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934584257 649182162 /nfs/dbraw/zinc/18/21/62/649182162.db2.gz ZKOUOZFERHJPMJ-VHDGCEQUSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934584257 649182165 /nfs/dbraw/zinc/18/21/65/649182165.db2.gz ZKOUOZFERHJPMJ-VHDGCEQUSA-N 1 2 294.326 0.703 20 30 CCEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1cccc(C#N)c1 ZINC000078801986 649496236 /nfs/dbraw/zinc/49/62/36/649496236.db2.gz RUILZANUDAEJAV-UHFFFAOYSA-N 1 2 279.365 0.835 20 30 CCEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1cccc(C#N)c1 ZINC000078801986 649496239 /nfs/dbraw/zinc/49/62/39/649496239.db2.gz RUILZANUDAEJAV-UHFFFAOYSA-N 1 2 279.365 0.835 20 30 CCEDLO CN(C)c1cc(N2CCN(CCC#N)CC2)nc[nH+]1 ZINC000258681803 722021497 /nfs/dbraw/zinc/02/14/97/722021497.db2.gz IXSURIJUDIKMSD-UHFFFAOYSA-N 1 2 260.345 0.578 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC001230580121 805627639 /nfs/dbraw/zinc/62/76/39/805627639.db2.gz ULFUSUZLFKVNDS-OAHLLOKOSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC001230580121 805627644 /nfs/dbraw/zinc/62/76/44/805627644.db2.gz ULFUSUZLFKVNDS-OAHLLOKOSA-N 1 2 287.363 0.878 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613346 805633411 /nfs/dbraw/zinc/63/34/11/805633411.db2.gz BGAHVYMTFPVOKB-VXGBXAGGSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613346 805633415 /nfs/dbraw/zinc/63/34/15/805633415.db2.gz BGAHVYMTFPVOKB-VXGBXAGGSA-N 1 2 299.390 0.958 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001266264416 790354842 /nfs/dbraw/zinc/35/48/42/790354842.db2.gz UIKKQCUVDQEYSR-NSHDSACASA-N 1 2 297.399 0.340 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001266264416 790354848 /nfs/dbraw/zinc/35/48/48/790354848.db2.gz UIKKQCUVDQEYSR-NSHDSACASA-N 1 2 297.399 0.340 20 30 CCEDLO CC[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266279240 790387842 /nfs/dbraw/zinc/38/78/42/790387842.db2.gz JIBDDXLYARLPJQ-LBPRGKRZSA-N 1 2 252.362 0.290 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001266287702 790415273 /nfs/dbraw/zinc/41/52/73/790415273.db2.gz CDYJWVVGXASRNC-RBSFLKMASA-N 1 2 290.411 0.680 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001039031872 790415647 /nfs/dbraw/zinc/41/56/47/790415647.db2.gz ITUQJYPOXKGAIF-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001039031872 790415649 /nfs/dbraw/zinc/41/56/49/790415649.db2.gz ITUQJYPOXKGAIF-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1cncc(C#N)n1 ZINC001104225955 790451338 /nfs/dbraw/zinc/45/13/38/790451338.db2.gz GTCZIAOHEPMFMB-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCCC)C1 ZINC001266305886 790474869 /nfs/dbraw/zinc/47/48/69/790474869.db2.gz XPMHNKFLKVKKGA-GFCCVEGCSA-N 1 2 299.440 0.622 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCCC)C1 ZINC001266305886 790474873 /nfs/dbraw/zinc/47/48/73/790474873.db2.gz XPMHNKFLKVKKGA-GFCCVEGCSA-N 1 2 299.440 0.622 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319864 790499656 /nfs/dbraw/zinc/49/96/56/790499656.db2.gz UAHJVJBHQPDURE-CYBMUJFWSA-N 1 2 287.367 0.402 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266319864 790499662 /nfs/dbraw/zinc/49/96/62/790499662.db2.gz UAHJVJBHQPDURE-CYBMUJFWSA-N 1 2 287.367 0.402 20 30 CCEDLO CC(C)=C(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266336888 790535432 /nfs/dbraw/zinc/53/54/32/790535432.db2.gz XZQMQSOBHDHONW-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)=C(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266336888 790535441 /nfs/dbraw/zinc/53/54/41/790535441.db2.gz XZQMQSOBHDHONW-CYBMUJFWSA-N 1 2 292.383 0.563 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C ZINC001266475728 790769093 /nfs/dbraw/zinc/76/90/93/790769093.db2.gz KDJDIXQOOXLDBQ-XQLPTFJDSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C ZINC001266475728 790769101 /nfs/dbraw/zinc/76/91/01/790769101.db2.gz KDJDIXQOOXLDBQ-XQLPTFJDSA-N 1 2 276.380 0.967 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001266522179 790863259 /nfs/dbraw/zinc/86/32/59/790863259.db2.gz HVZDXNSPDMVVHH-GWCFXTLKSA-N 1 2 296.396 0.556 20 30 CCEDLO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)C#N)c1csnn1 ZINC001266659872 791093643 /nfs/dbraw/zinc/09/36/43/791093643.db2.gz JCFGUFNVOONSSR-DTWKUNHWSA-N 1 2 267.358 0.807 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cscn3)[C@H]2C1 ZINC001083215457 791147139 /nfs/dbraw/zinc/14/71/39/791147139.db2.gz AJSHODZTAXWIJC-QWHCGFSZSA-N 1 2 291.376 0.230 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cscn3)[C@H]2C1 ZINC001083215457 791147145 /nfs/dbraw/zinc/14/71/45/791147145.db2.gz AJSHODZTAXWIJC-QWHCGFSZSA-N 1 2 291.376 0.230 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230775096 805663235 /nfs/dbraw/zinc/66/32/35/805663235.db2.gz CMIYFUIJPVLNIC-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230775096 805663240 /nfs/dbraw/zinc/66/32/40/805663240.db2.gz CMIYFUIJPVLNIC-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC ZINC001230785838 805666062 /nfs/dbraw/zinc/66/60/62/805666062.db2.gz PWRFLHCBTAORHS-OLZOCXBDSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC ZINC001230785838 805666063 /nfs/dbraw/zinc/66/60/63/805666063.db2.gz PWRFLHCBTAORHS-OLZOCXBDSA-N 1 2 281.400 0.867 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC(C)C ZINC001231062855 805719986 /nfs/dbraw/zinc/71/99/86/805719986.db2.gz USOUKJDXSLIBTK-AWEZNQCLSA-N 1 2 282.384 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)COC(C)C ZINC001231062855 805719991 /nfs/dbraw/zinc/71/99/91/805719991.db2.gz USOUKJDXSLIBTK-AWEZNQCLSA-N 1 2 282.384 0.594 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001231112533 805731303 /nfs/dbraw/zinc/73/13/03/805731303.db2.gz CMGJOTICYUZERN-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001231112533 805731307 /nfs/dbraw/zinc/73/13/07/805731307.db2.gz CMGJOTICYUZERN-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001231121946 805735069 /nfs/dbraw/zinc/73/50/69/805735069.db2.gz IXYQSPGUWMJUTF-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001231121946 805735071 /nfs/dbraw/zinc/73/50/71/805735071.db2.gz IXYQSPGUWMJUTF-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001231121729 805735816 /nfs/dbraw/zinc/73/58/16/805735816.db2.gz HMMHIQGRSSVETI-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001231121729 805735821 /nfs/dbraw/zinc/73/58/21/805735821.db2.gz HMMHIQGRSSVETI-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001232674074 805967495 /nfs/dbraw/zinc/96/74/95/805967495.db2.gz RJADCJYXQKKYAH-TZMCWYRMSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001232674074 805967500 /nfs/dbraw/zinc/96/75/00/805967500.db2.gz RJADCJYXQKKYAH-TZMCWYRMSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c1 ZINC001232678059 805969596 /nfs/dbraw/zinc/96/95/96/805969596.db2.gz PCCVGZBPASGHKD-UHFFFAOYSA-N 1 2 286.335 0.911 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NC[C@@H](C)NCC#N ZINC001266947191 791383084 /nfs/dbraw/zinc/38/30/84/791383084.db2.gz CPXPECNEHYFKIL-SNVBAGLBSA-N 1 2 262.313 0.251 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498644 806066726 /nfs/dbraw/zinc/06/67/26/806066726.db2.gz CHNBRWWPTVCDOE-UZYOAWRESA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498644 806066736 /nfs/dbraw/zinc/06/67/36/806066736.db2.gz CHNBRWWPTVCDOE-UZYOAWRESA-N 1 2 289.379 0.235 20 30 CCEDLO N#CC1(c2cc[nH+]c(N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC001167565456 791549274 /nfs/dbraw/zinc/54/92/74/791549274.db2.gz SHSAUMZYTXBDIA-JTQLQIEISA-N 1 2 270.292 0.854 20 30 CCEDLO C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)NCC#N ZINC001267133944 791578618 /nfs/dbraw/zinc/57/86/18/791578618.db2.gz OJIHQBRAWZPJEV-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001267218192 791690041 /nfs/dbraw/zinc/69/00/41/791690041.db2.gz ZIPHHSDJAQWAER-SNVBAGLBSA-N 1 2 289.326 0.075 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001267218192 791690047 /nfs/dbraw/zinc/69/00/47/791690047.db2.gz ZIPHHSDJAQWAER-SNVBAGLBSA-N 1 2 289.326 0.075 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052801 806174423 /nfs/dbraw/zinc/17/44/23/806174423.db2.gz ZVNAZJQHFMEPRJ-HUUCEWRRSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052801 806174432 /nfs/dbraw/zinc/17/44/32/806174432.db2.gz ZVNAZJQHFMEPRJ-HUUCEWRRSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001234111522 806184395 /nfs/dbraw/zinc/18/43/95/806184395.db2.gz KOOBGPAZVLIIQV-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001234111522 806184400 /nfs/dbraw/zinc/18/44/00/806184400.db2.gz KOOBGPAZVLIIQV-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234171657 806195850 /nfs/dbraw/zinc/19/58/50/806195850.db2.gz RKTLQMVMUNIDLD-OLZOCXBDSA-N 1 2 279.384 0.442 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234171657 806195854 /nfs/dbraw/zinc/19/58/54/806195854.db2.gz RKTLQMVMUNIDLD-OLZOCXBDSA-N 1 2 279.384 0.442 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001234267391 806214504 /nfs/dbraw/zinc/21/45/04/806214504.db2.gz YMNSHKFSOVEVJF-NEPJUHHUSA-N 1 2 256.321 0.527 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001234267391 806214509 /nfs/dbraw/zinc/21/45/09/806214509.db2.gz YMNSHKFSOVEVJF-NEPJUHHUSA-N 1 2 256.321 0.527 20 30 CCEDLO N#CCCN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001277938790 806410371 /nfs/dbraw/zinc/41/03/71/806410371.db2.gz FCQBAXYDXLTARN-OKILXGFUSA-N 1 2 260.341 0.813 20 30 CCEDLO N#CCCN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001277938790 806410377 /nfs/dbraw/zinc/41/03/77/806410377.db2.gz FCQBAXYDXLTARN-OKILXGFUSA-N 1 2 260.341 0.813 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCCO ZINC001235454638 806426889 /nfs/dbraw/zinc/42/68/89/806426889.db2.gz RMRKBVUOYRUFIE-CYBMUJFWSA-N 1 2 280.372 0.689 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCCO ZINC001235454638 806426892 /nfs/dbraw/zinc/42/68/92/806426892.db2.gz RMRKBVUOYRUFIE-CYBMUJFWSA-N 1 2 280.372 0.689 20 30 CCEDLO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@](C)(C#N)C3)[C@@H](O)[C@@H]2O1 ZINC001236434361 806591272 /nfs/dbraw/zinc/59/12/72/806591272.db2.gz PGDVYGQKQBLROO-XJBAAKRRSA-N 1 2 282.340 0.459 20 30 CCEDLO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@](C)(C#N)C3)[C@@H](O)[C@@H]2O1 ZINC001236434361 806591276 /nfs/dbraw/zinc/59/12/76/806591276.db2.gz PGDVYGQKQBLROO-XJBAAKRRSA-N 1 2 282.340 0.459 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nccnc2Cl)CC1 ZINC001236616480 806597717 /nfs/dbraw/zinc/59/77/17/806597717.db2.gz BCYOZLSOYBSMHV-UHFFFAOYSA-N 1 2 250.733 0.881 20 30 CCEDLO C[C@@]1(O)COCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607931 806699209 /nfs/dbraw/zinc/69/92/09/806699209.db2.gz CMGUYDBEDUTOOJ-HNNXBMFYSA-N 1 2 286.335 0.789 20 30 CCEDLO C[C@@]1(O)COCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607931 806699214 /nfs/dbraw/zinc/69/92/14/806699214.db2.gz CMGUYDBEDUTOOJ-HNNXBMFYSA-N 1 2 286.335 0.789 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CC)n2CC)CC1 ZINC001121795650 799070385 /nfs/dbraw/zinc/07/03/85/799070385.db2.gz GZMNCOHOXLNIND-LBPRGKRZSA-N 1 2 277.372 0.497 20 30 CCEDLO CC[N@@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001278167774 806737953 /nfs/dbraw/zinc/73/79/53/806737953.db2.gz LXMZXNONXVUQHQ-UHFFFAOYSA-N 1 2 273.340 0.773 20 30 CCEDLO CC[N@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001278167774 806737957 /nfs/dbraw/zinc/73/79/57/806737957.db2.gz LXMZXNONXVUQHQ-UHFFFAOYSA-N 1 2 273.340 0.773 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(OC)cnc2F)CC1 ZINC001238124690 806752926 /nfs/dbraw/zinc/75/29/26/806752926.db2.gz ZXGIPOULYIKNHW-UHFFFAOYSA-N 1 2 263.316 0.980 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@H]3CCC(=O)N3)CCC2S1 ZINC001202823237 799727269 /nfs/dbraw/zinc/72/72/69/799727269.db2.gz RLDZDQMTFUASPH-ZJUUUORDSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@H]3CCC(=O)N3)CCC2S1 ZINC001202823237 799727272 /nfs/dbraw/zinc/72/72/72/799727272.db2.gz RLDZDQMTFUASPH-ZJUUUORDSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@H]3CCC(=O)N3)CC[C@@H]2S1 ZINC001202823237 799727275 /nfs/dbraw/zinc/72/72/75/799727275.db2.gz RLDZDQMTFUASPH-ZJUUUORDSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@H]3CCC(=O)N3)CC[C@@H]2S1 ZINC001202823237 799727279 /nfs/dbraw/zinc/72/72/79/799727279.db2.gz RLDZDQMTFUASPH-ZJUUUORDSA-N 1 2 252.339 0.539 20 30 CCEDLO C=CCn1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001139772966 799842091 /nfs/dbraw/zinc/84/20/91/799842091.db2.gz VOSOJNXEIIHHNW-CYBMUJFWSA-N 1 2 260.341 0.876 20 30 CCEDLO C=CCn1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001139772966 799842098 /nfs/dbraw/zinc/84/20/98/799842098.db2.gz VOSOJNXEIIHHNW-CYBMUJFWSA-N 1 2 260.341 0.876 20 30 CCEDLO C=CCN1CC[NH+](Cc2c(O)c(C)ncc2CO)CC1 ZINC001140868220 799949585 /nfs/dbraw/zinc/94/95/85/799949585.db2.gz GJTUSPHTNLGOTR-UHFFFAOYSA-N 1 2 277.368 0.892 20 30 CCEDLO C=CC[NH+]1CCN(Cc2c(O)c(C)ncc2CO)CC1 ZINC001140868220 799949592 /nfs/dbraw/zinc/94/95/92/799949592.db2.gz GJTUSPHTNLGOTR-UHFFFAOYSA-N 1 2 277.368 0.892 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)ccc1C#N ZINC001141932118 800048773 /nfs/dbraw/zinc/04/87/73/800048773.db2.gz SYYHHXJWMHWDKG-DGCLKSJQSA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)ccc1C#N ZINC001141932118 800048781 /nfs/dbraw/zinc/04/87/81/800048781.db2.gz SYYHHXJWMHWDKG-DGCLKSJQSA-N 1 2 293.392 0.850 20 30 CCEDLO CN1CC[NH+](CCC(=O)N/C=C/C(=O)C(F)(F)F)CC1 ZINC001143236748 800213253 /nfs/dbraw/zinc/21/32/53/800213253.db2.gz SULCKRDZRBJEKH-DUXPYHPUSA-N 1 2 293.289 0.385 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149789070 800298801 /nfs/dbraw/zinc/29/88/01/800298801.db2.gz LJVZTHLAUAWUBV-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149789070 800298806 /nfs/dbraw/zinc/29/88/06/800298806.db2.gz LJVZTHLAUAWUBV-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150372530 800331895 /nfs/dbraw/zinc/33/18/95/800331895.db2.gz RLCGCOQVHPLQRL-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150372530 800331902 /nfs/dbraw/zinc/33/19/02/800331902.db2.gz RLCGCOQVHPLQRL-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3ncncc23)CC1 ZINC001152900315 800568195 /nfs/dbraw/zinc/56/81/95/800568195.db2.gz DPHSPWRLAHRXPV-UHFFFAOYSA-N 1 2 271.324 0.853 20 30 CCEDLO COc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001155196085 800926859 /nfs/dbraw/zinc/92/68/59/800926859.db2.gz KNNBLNAFZNAPHP-JTQLQIEISA-N 1 2 262.313 0.704 20 30 CCEDLO COc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155196085 800926863 /nfs/dbraw/zinc/92/68/63/800926863.db2.gz KNNBLNAFZNAPHP-JTQLQIEISA-N 1 2 262.313 0.704 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc(C#N)c(C#N)nc2Cl)C1 ZINC001155196149 800928203 /nfs/dbraw/zinc/92/82/03/800928203.db2.gz KYXMKWVBBUYTEG-MRVPVSSYSA-N 1 2 292.730 0.616 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc(C#N)c(C#N)nc2Cl)C1 ZINC001155196149 800928206 /nfs/dbraw/zinc/92/82/06/800928206.db2.gz KYXMKWVBBUYTEG-MRVPVSSYSA-N 1 2 292.730 0.616 20 30 CCEDLO Cc1nc(Cl)nc(NC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001155196947 800929172 /nfs/dbraw/zinc/92/91/72/800929172.db2.gz QTKIENZCANFNEK-SECBINFHSA-N 1 2 281.747 0.475 20 30 CCEDLO Cc1nc(Cl)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155196947 800929177 /nfs/dbraw/zinc/92/91/77/800929177.db2.gz QTKIENZCANFNEK-SECBINFHSA-N 1 2 281.747 0.475 20 30 CCEDLO COC(=O)c1cc(C#N)cnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155201751 800931547 /nfs/dbraw/zinc/93/15/47/800931547.db2.gz PQACVAMKVBAAHU-LLVKDONJSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1cc(C#N)cnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155201751 800931549 /nfs/dbraw/zinc/93/15/49/800931549.db2.gz PQACVAMKVBAAHU-LLVKDONJSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C#N)c2F)C[NH2+]1 ZINC001156242138 801137246 /nfs/dbraw/zinc/13/72/46/801137246.db2.gz BHINDELALVPIBM-IUCAKERBSA-N 1 2 264.260 0.408 20 30 CCEDLO CC(C)(C)NC(=O)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156320141 801149972 /nfs/dbraw/zinc/14/99/72/801149972.db2.gz RTHGHFXAWRSTNI-LBPRGKRZSA-N 1 2 287.367 0.912 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc2[nH]cc(C#N)c21 ZINC001157773895 801480779 /nfs/dbraw/zinc/48/07/79/801480779.db2.gz UDROSCLMLOBURG-LBPRGKRZSA-N 1 2 299.334 0.728 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc2[nH]cc(C#N)c21 ZINC001157773895 801480784 /nfs/dbraw/zinc/48/07/84/801480784.db2.gz UDROSCLMLOBURG-LBPRGKRZSA-N 1 2 299.334 0.728 20 30 CCEDLO N#Cc1cnc2cc[nH]c(-n3[nH]c(=O)nc3C[NH3+])c1-2 ZINC001157940604 801532799 /nfs/dbraw/zinc/53/27/99/801532799.db2.gz CYODKUKYDPDCCA-UHFFFAOYSA-N 1 2 255.241 0.180 20 30 CCEDLO C=C/C(=N\COC)c1cnn(CC[NH+]2CCOCC2)c1 ZINC001240539986 806945489 /nfs/dbraw/zinc/94/54/89/806945489.db2.gz OPTBINTUDYNACF-CCEZHUSRSA-N 1 2 278.356 0.794 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCC1=CCN(CC#N)CC1 ZINC001161785807 802224981 /nfs/dbraw/zinc/22/49/81/802224981.db2.gz STGPRSJXYAKGHI-UHFFFAOYSA-N 1 2 287.367 0.923 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@](O)(CC#N)C1 ZINC001163163667 802499470 /nfs/dbraw/zinc/49/94/70/802499470.db2.gz WPDWZTQSIFWJIF-CYBMUJFWSA-N 1 2 262.313 0.230 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](F)CC)[C@H]1C ZINC001264714908 809675144 /nfs/dbraw/zinc/67/51/44/809675144.db2.gz FIRDNYJISPEYMC-UTUOFQBUSA-N 1 2 285.363 0.616 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)CC)[C@H]1C ZINC001264714908 809675147 /nfs/dbraw/zinc/67/51/47/809675147.db2.gz FIRDNYJISPEYMC-UTUOFQBUSA-N 1 2 285.363 0.616 20 30 CCEDLO C#CCC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001279718491 809995236 /nfs/dbraw/zinc/99/52/36/809995236.db2.gz XXEYMWJPTFVVOW-VIFPVBQESA-N 1 2 284.253 0.321 20 30 CCEDLO C#CCC[NH2+]CCN(CCO)C(=O)[C@H](F)C(F)(F)F ZINC001279718491 809995239 /nfs/dbraw/zinc/99/52/39/809995239.db2.gz XXEYMWJPTFVVOW-VIFPVBQESA-N 1 2 284.253 0.321 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC001206585858 803269505 /nfs/dbraw/zinc/26/95/05/803269505.db2.gz GDDBQQZVWBDAFJ-GHMZBOCLSA-N 1 2 292.339 0.027 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC001206585858 803269510 /nfs/dbraw/zinc/26/95/10/803269510.db2.gz GDDBQQZVWBDAFJ-GHMZBOCLSA-N 1 2 292.339 0.027 20 30 CCEDLO CC(C)=C(F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206871098 803295671 /nfs/dbraw/zinc/29/56/71/803295671.db2.gz YFMGYNKHVVRPJR-GHMZBOCLSA-N 1 2 296.346 0.326 20 30 CCEDLO CC(C)=C(F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206871098 803295675 /nfs/dbraw/zinc/29/56/75/803295675.db2.gz YFMGYNKHVVRPJR-GHMZBOCLSA-N 1 2 296.346 0.326 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921524 803309464 /nfs/dbraw/zinc/30/94/64/803309464.db2.gz UWFZYQDMYQXXQB-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cnoc2C(C)C)C1 ZINC001271373068 814395792 /nfs/dbraw/zinc/39/57/92/814395792.db2.gz AIJSHZVXZKMPDT-UHFFFAOYSA-N 1 2 291.351 0.598 20 30 CCEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)nc1 ZINC001209517137 803608600 /nfs/dbraw/zinc/60/86/00/803608600.db2.gz CLILQLARWIMTRK-UHFFFAOYSA-N 1 2 257.253 0.898 20 30 CCEDLO C=C(C)C(=O)OC[C@H](C)OCC[NH+]1CCOCC1 ZINC001210206300 803641929 /nfs/dbraw/zinc/64/19/29/803641929.db2.gz BGOQMOHGLHOENV-LBPRGKRZSA-N 1 2 257.330 0.843 20 30 CCEDLO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C#CC3CC3)[C@@H]2C1 ZINC001276669342 803628290 /nfs/dbraw/zinc/62/82/90/803628290.db2.gz FILXRNBZLGGKKK-ZSOGYDGISA-N 1 2 299.378 0.023 20 30 CCEDLO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C#CC3CC3)[C@@H]2C1 ZINC001276669342 803628294 /nfs/dbraw/zinc/62/82/94/803628294.db2.gz FILXRNBZLGGKKK-ZSOGYDGISA-N 1 2 299.378 0.023 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001214302291 803733098 /nfs/dbraw/zinc/73/30/98/803733098.db2.gz ZRDCFUGUGCBVJS-GHMZBOCLSA-N 1 2 278.360 0.113 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)[C@@H]1COC[NH2+]1 ZINC001218543563 803996151 /nfs/dbraw/zinc/99/61/51/803996151.db2.gz WZHIYCOAFMVDPW-JTQLQIEISA-N 1 2 269.264 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCOC)[C@H]2C1 ZINC001219042643 804184625 /nfs/dbraw/zinc/18/46/25/804184625.db2.gz JORHKECOEJHFQL-HZSPNIEDSA-N 1 2 280.368 0.204 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCOC)[C@H]2C1 ZINC001219042643 804184629 /nfs/dbraw/zinc/18/46/29/804184629.db2.gz JORHKECOEJHFQL-HZSPNIEDSA-N 1 2 280.368 0.204 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001219378680 804290887 /nfs/dbraw/zinc/29/08/87/804290887.db2.gz CCXQJNPLVHILCK-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001219378680 804290891 /nfs/dbraw/zinc/29/08/91/804290891.db2.gz CCXQJNPLVHILCK-GDLCADMTSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219379004 804292871 /nfs/dbraw/zinc/29/28/71/804292871.db2.gz KYEWMYSXVKJYOG-IMJJTQAJSA-N 1 2 297.358 0.359 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219379004 804292878 /nfs/dbraw/zinc/29/28/78/804292878.db2.gz KYEWMYSXVKJYOG-IMJJTQAJSA-N 1 2 297.358 0.359 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219383213 804294299 /nfs/dbraw/zinc/29/42/99/804294299.db2.gz GYNUGDMXDCKXGF-IFCFAVMDSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219383213 804294306 /nfs/dbraw/zinc/29/43/06/804294306.db2.gz GYNUGDMXDCKXGF-IFCFAVMDSA-N 1 2 257.721 0.060 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219883909 804439396 /nfs/dbraw/zinc/43/93/96/804439396.db2.gz ZTWIUQYRTIJKHX-MCIONIFRSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@@H](O)C1 ZINC001219883909 804439402 /nfs/dbraw/zinc/43/94/02/804439402.db2.gz ZTWIUQYRTIJKHX-MCIONIFRSA-N 1 2 296.411 0.480 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@@H](O)C1 ZINC001220027995 804477656 /nfs/dbraw/zinc/47/76/56/804477656.db2.gz RXAJQYGGYRCUBJ-BBBLOLIVSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@@H](O)C1 ZINC001220027995 804477661 /nfs/dbraw/zinc/47/76/61/804477661.db2.gz RXAJQYGGYRCUBJ-BBBLOLIVSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCCC)CC2)[C@@H](O)C1 ZINC001220286502 804562152 /nfs/dbraw/zinc/56/21/52/804562152.db2.gz FFPIZUGNADBXFI-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCCC)CC2)[C@@H](O)C1 ZINC001220286502 804562157 /nfs/dbraw/zinc/56/21/57/804562157.db2.gz FFPIZUGNADBXFI-OLZOCXBDSA-N 1 2 264.369 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)OC)[C@@H](O)C1 ZINC001220308942 804567038 /nfs/dbraw/zinc/56/70/38/804567038.db2.gz MQEKYEQVMNUBJB-RDBSUJKOSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)OC)[C@@H](O)C1 ZINC001220308942 804567041 /nfs/dbraw/zinc/56/70/41/804567041.db2.gz MQEKYEQVMNUBJB-RDBSUJKOSA-N 1 2 282.384 0.232 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446679 804818871 /nfs/dbraw/zinc/81/88/71/804818871.db2.gz QWTWTHXOOIBGOP-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446679 804818876 /nfs/dbraw/zinc/81/88/76/804818876.db2.gz QWTWTHXOOIBGOP-JHJVBQTASA-N 1 2 292.383 0.205 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446880 804819071 /nfs/dbraw/zinc/81/90/71/804819071.db2.gz XYUQNYMDYWEZEU-YNEHKIRRSA-N 1 2 292.383 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001221446880 804819080 /nfs/dbraw/zinc/81/90/80/804819080.db2.gz XYUQNYMDYWEZEU-YNEHKIRRSA-N 1 2 292.383 0.157 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221529918 804829782 /nfs/dbraw/zinc/82/97/82/804829782.db2.gz RBNKQKLLTADCHF-HZSPNIEDSA-N 1 2 289.379 0.067 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221529918 804829790 /nfs/dbraw/zinc/82/97/90/804829790.db2.gz RBNKQKLLTADCHF-HZSPNIEDSA-N 1 2 289.379 0.067 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001276898475 804979575 /nfs/dbraw/zinc/97/95/75/804979575.db2.gz KVJJEBWKLMPWDW-QWRGUYRKSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001276898475 804979579 /nfs/dbraw/zinc/97/95/79/804979579.db2.gz KVJJEBWKLMPWDW-QWRGUYRKSA-N 1 2 267.373 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001276980600 805054345 /nfs/dbraw/zinc/05/43/45/805054345.db2.gz VGSJDRWAVCOOKJ-UKRRQHHQSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001276980600 805054354 /nfs/dbraw/zinc/05/43/54/805054354.db2.gz VGSJDRWAVCOOKJ-UKRRQHHQSA-N 1 2 279.384 0.361 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(CF)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225539454 805138755 /nfs/dbraw/zinc/13/87/55/805138755.db2.gz IFNXDXZZRXXSHB-PINQPDRWSA-N 1 2 265.288 0.937 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(CF)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225539454 805138760 /nfs/dbraw/zinc/13/87/60/805138760.db2.gz IFNXDXZZRXXSHB-PINQPDRWSA-N 1 2 265.288 0.937 20 30 CCEDLO C=C(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001142508279 815069337 /nfs/dbraw/zinc/06/93/37/815069337.db2.gz PPTKXDKFFXSWTG-UHFFFAOYSA-N 1 2 264.329 0.730 20 30 CCEDLO COc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228464086 805448747 /nfs/dbraw/zinc/44/87/47/805448747.db2.gz AZRLKNPAZAOVEW-FRQULTQSSA-N 1 2 281.287 0.616 20 30 CCEDLO COc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228464086 805448753 /nfs/dbraw/zinc/44/87/53/805448753.db2.gz AZRLKNPAZAOVEW-FRQULTQSSA-N 1 2 281.287 0.616 20 30 CCEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n2ncnc2n1 ZINC001229308842 805518543 /nfs/dbraw/zinc/51/85/43/805518543.db2.gz JVGZUVWZULPOJQ-NJFCNUMCSA-N 1 2 287.323 0.424 20 30 CCEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n2ncnc2n1 ZINC001229308842 805518549 /nfs/dbraw/zinc/51/85/49/805518549.db2.gz JVGZUVWZULPOJQ-NJFCNUMCSA-N 1 2 287.323 0.424 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CN1 ZINC001246945339 807437561 /nfs/dbraw/zinc/43/75/61/807437561.db2.gz LCBNWNSXGWAQRQ-NTZNESFSSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CN1 ZINC001246945339 807437565 /nfs/dbraw/zinc/43/75/65/807437565.db2.gz LCBNWNSXGWAQRQ-NTZNESFSSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1sccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006033 807637254 /nfs/dbraw/zinc/63/72/54/807637254.db2.gz CAGOLPQPQYWBON-JTQLQIEISA-N 1 2 267.354 0.725 20 30 CCEDLO Cc1cnc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251007202 807639007 /nfs/dbraw/zinc/63/90/07/807639007.db2.gz SULDNIUTEGUFTF-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1coc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251012334 807642089 /nfs/dbraw/zinc/64/20/89/807642089.db2.gz SPPGCURGXMXMEV-NSHDSACASA-N 1 2 265.313 0.565 20 30 CCEDLO CCCCN(CCC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC001251016736 807643695 /nfs/dbraw/zinc/64/36/95/807643695.db2.gz XDRFKBVMNDZSEE-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC001251836218 807715814 /nfs/dbraw/zinc/71/58/14/807715814.db2.gz WJEBTUBUURAMGH-LBPRGKRZSA-N 1 2 274.324 0.172 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC001251836218 807715820 /nfs/dbraw/zinc/71/58/20/807715820.db2.gz WJEBTUBUURAMGH-LBPRGKRZSA-N 1 2 274.324 0.172 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001251858241 807724751 /nfs/dbraw/zinc/72/47/51/807724751.db2.gz UESYDNXQSILVOL-HNNXBMFYSA-N 1 2 289.331 0.800 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001251858241 807724757 /nfs/dbraw/zinc/72/47/57/807724757.db2.gz UESYDNXQSILVOL-HNNXBMFYSA-N 1 2 289.331 0.800 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001083478581 815147218 /nfs/dbraw/zinc/14/72/18/815147218.db2.gz SAAQEEXKYSGKAL-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001083478581 815147220 /nfs/dbraw/zinc/14/72/20/815147220.db2.gz SAAQEEXKYSGKAL-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252465230 807876325 /nfs/dbraw/zinc/87/63/25/807876325.db2.gz DOMXQWGVQUWPJE-CQSZACIVSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252465230 807876330 /nfs/dbraw/zinc/87/63/30/807876330.db2.gz DOMXQWGVQUWPJE-CQSZACIVSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCOC[C@@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001252499281 807895904 /nfs/dbraw/zinc/89/59/04/807895904.db2.gz YYMDCJUIAZFBTB-STQMWFEESA-N 1 2 297.355 0.037 20 30 CCEDLO C=CCOC[C@@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001252499281 807895909 /nfs/dbraw/zinc/89/59/09/807895909.db2.gz YYMDCJUIAZFBTB-STQMWFEESA-N 1 2 297.355 0.037 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC001252579917 807914373 /nfs/dbraw/zinc/91/43/73/807914373.db2.gz ZKBUXUXCJKITEK-GXTWGEPZSA-N 1 2 271.357 0.871 20 30 CCEDLO C=C[C@H](O)C[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001253570750 808080982 /nfs/dbraw/zinc/08/09/82/808080982.db2.gz AWYRFEIUDSPSGJ-JTQLQIEISA-N 1 2 268.748 0.799 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253576954 808082501 /nfs/dbraw/zinc/08/25/01/808082501.db2.gz IVZUCDOXHNAXOJ-NSHDSACASA-N 1 2 290.367 0.551 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253576954 808082509 /nfs/dbraw/zinc/08/25/09/808082509.db2.gz IVZUCDOXHNAXOJ-NSHDSACASA-N 1 2 290.367 0.551 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001253582065 808088969 /nfs/dbraw/zinc/08/89/69/808088969.db2.gz MAMXOLDRNGHVMA-NSHDSACASA-N 1 2 251.330 0.782 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001253582065 808088971 /nfs/dbraw/zinc/08/89/71/808088971.db2.gz MAMXOLDRNGHVMA-NSHDSACASA-N 1 2 251.330 0.782 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001278751220 808163960 /nfs/dbraw/zinc/16/39/60/808163960.db2.gz XOQRWMRNDAEYLZ-LBPRGKRZSA-N 1 2 296.396 0.251 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001278862979 808351578 /nfs/dbraw/zinc/35/15/78/808351578.db2.gz GJSXISKZMZLEFH-OLZOCXBDSA-N 1 2 282.359 0.701 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001126898890 815202771 /nfs/dbraw/zinc/20/27/71/815202771.db2.gz DYNCWSTUUNFMNS-UHFFFAOYSA-N 1 2 284.266 0.626 20 30 CCEDLO N#Cc1ccnnc1NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142626083 815205964 /nfs/dbraw/zinc/20/59/64/815205964.db2.gz DBILMKFXIYNPSY-LLVKDONJSA-N 1 2 257.297 0.771 20 30 CCEDLO CC#CC[N@H+](C)CCN(C(=O)C1=NC(=O)N(C)C1)C(C)C ZINC001278919108 808478006 /nfs/dbraw/zinc/47/80/06/808478006.db2.gz ZQDYNLHHIFVFAG-UHFFFAOYSA-N 1 2 292.383 0.931 20 30 CCEDLO CC#CC[N@@H+](C)CCN(C(=O)C1=NC(=O)N(C)C1)C(C)C ZINC001278919108 808478008 /nfs/dbraw/zinc/47/80/08/808478008.db2.gz ZQDYNLHHIFVFAG-UHFFFAOYSA-N 1 2 292.383 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001083525920 815212331 /nfs/dbraw/zinc/21/23/31/815212331.db2.gz SEXMDDOOPUZNRA-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001083525920 815212334 /nfs/dbraw/zinc/21/23/34/815212334.db2.gz SEXMDDOOPUZNRA-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038500888 815257878 /nfs/dbraw/zinc/25/78/78/815257878.db2.gz AZVVNCXQVNQBHL-GUTXKFCHSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038500888 815257880 /nfs/dbraw/zinc/25/78/80/815257880.db2.gz AZVVNCXQVNQBHL-GUTXKFCHSA-N 1 2 262.353 0.769 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001083544688 815265436 /nfs/dbraw/zinc/26/54/36/815265436.db2.gz JDNJEQCJVCRIGY-KGLIPLIRSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001083544688 815265441 /nfs/dbraw/zinc/26/54/41/815265441.db2.gz JDNJEQCJVCRIGY-KGLIPLIRSA-N 1 2 294.301 0.681 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC001262168652 809216912 /nfs/dbraw/zinc/21/69/12/809216912.db2.gz FJKQLYHHYMSDIJ-GFCCVEGCSA-N 1 2 290.327 0.486 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC001262168652 809216917 /nfs/dbraw/zinc/21/69/17/809216917.db2.gz FJKQLYHHYMSDIJ-GFCCVEGCSA-N 1 2 290.327 0.486 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@]1(C#N)CCSC1 ZINC001263722824 809557653 /nfs/dbraw/zinc/55/76/53/809557653.db2.gz HGTVJDRDTMOGIG-GFCCVEGCSA-N 1 2 264.354 0.868 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001265206564 809723851 /nfs/dbraw/zinc/72/38/51/809723851.db2.gz XCQIEFKTFOVLLT-SVSAJMPUSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001265206564 809723854 /nfs/dbraw/zinc/72/38/54/809723854.db2.gz XCQIEFKTFOVLLT-SVSAJMPUSA-N 1 2 291.395 0.673 20 30 CCEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001265205362 809724065 /nfs/dbraw/zinc/72/40/65/809724065.db2.gz HZLHCYUMRDXDHF-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001265205362 809724070 /nfs/dbraw/zinc/72/40/70/809724070.db2.gz HZLHCYUMRDXDHF-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO CC(C)CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265256337 809732290 /nfs/dbraw/zinc/73/22/90/809732290.db2.gz UFGCFMNKORGVNR-UHFFFAOYSA-N 1 2 266.389 0.680 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265284742 809747219 /nfs/dbraw/zinc/74/72/19/809747219.db2.gz VCCLHLKUGGVXNK-STQMWFEESA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265284742 809747222 /nfs/dbraw/zinc/74/72/22/809747222.db2.gz VCCLHLKUGGVXNK-STQMWFEESA-N 1 2 290.367 0.149 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2F)C1 ZINC001265307880 809753891 /nfs/dbraw/zinc/75/38/91/809753891.db2.gz HWGPCQIMPOFTJG-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ncccc2F)C1 ZINC001265307880 809753893 /nfs/dbraw/zinc/75/38/93/809753893.db2.gz HWGPCQIMPOFTJG-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)CC ZINC001265407264 809772909 /nfs/dbraw/zinc/77/29/09/809772909.db2.gz VWTQFZVYDODSHX-UPJWGTAASA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)CC ZINC001265407264 809772913 /nfs/dbraw/zinc/77/29/13/809772913.db2.gz VWTQFZVYDODSHX-UPJWGTAASA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)CC ZINC001265407263 809773084 /nfs/dbraw/zinc/77/30/84/809773084.db2.gz VWTQFZVYDODSHX-RWMBFGLXSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)CC ZINC001265407263 809773086 /nfs/dbraw/zinc/77/30/86/809773086.db2.gz VWTQFZVYDODSHX-RWMBFGLXSA-N 1 2 277.368 0.210 20 30 CCEDLO N#CCNC[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265990906 809914208 /nfs/dbraw/zinc/91/42/08/809914208.db2.gz WNOPRSKCDRNUTQ-QWHCGFSZSA-N 1 2 287.367 0.407 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076755950 815364757 /nfs/dbraw/zinc/36/47/57/815364757.db2.gz ZSAHOFIKLJIPLY-HZPDHXFCSA-N 1 2 286.375 0.855 20 30 CCEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076755950 815364762 /nfs/dbraw/zinc/36/47/62/815364762.db2.gz ZSAHOFIKLJIPLY-HZPDHXFCSA-N 1 2 286.375 0.855 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001267323186 811155155 /nfs/dbraw/zinc/15/51/55/811155155.db2.gz ULDJDOTYTRCTGC-UHFFFAOYSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001267323186 811155162 /nfs/dbraw/zinc/15/51/62/811155162.db2.gz ULDJDOTYTRCTGC-UHFFFAOYSA-N 1 2 293.371 0.155 20 30 CCEDLO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001149169103 811200709 /nfs/dbraw/zinc/20/07/09/811200709.db2.gz ZCZWQCVTWABZTR-HNNXBMFYSA-N 1 2 294.395 0.976 20 30 CCEDLO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001149169103 811200717 /nfs/dbraw/zinc/20/07/17/811200717.db2.gz ZCZWQCVTWABZTR-HNNXBMFYSA-N 1 2 294.395 0.976 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001077060351 815441814 /nfs/dbraw/zinc/44/18/14/815441814.db2.gz ACKKOTFDLUVCCK-TZMCWYRMSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001077060351 815441817 /nfs/dbraw/zinc/44/18/17/815441817.db2.gz ACKKOTFDLUVCCK-TZMCWYRMSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318799 811444968 /nfs/dbraw/zinc/44/49/68/811444968.db2.gz UERSWHVYIOCOQF-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318799 811444972 /nfs/dbraw/zinc/44/49/72/811444972.db2.gz UERSWHVYIOCOQF-OLZOCXBDSA-N 1 2 291.395 0.457 20 30 CCEDLO CC[C@H](F)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267608861 811558441 /nfs/dbraw/zinc/55/84/41/811558441.db2.gz FOOXOPIIIAEDNU-LBPRGKRZSA-N 1 2 270.352 0.334 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001267625897 811583853 /nfs/dbraw/zinc/58/38/53/811583853.db2.gz GKUQDWCVXYZWLF-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267625897 811583860 /nfs/dbraw/zinc/58/38/60/811583860.db2.gz GKUQDWCVXYZWLF-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001267624948 811584684 /nfs/dbraw/zinc/58/46/84/811584684.db2.gz RIZBYWWEOKXDJV-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001267624948 811584690 /nfs/dbraw/zinc/58/46/90/811584690.db2.gz RIZBYWWEOKXDJV-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001267639303 811600917 /nfs/dbraw/zinc/60/09/17/811600917.db2.gz CHDKBGQMKBJICE-RYUDHWBXSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CCCS(C)(=O)=O)C1 ZINC001267676215 811640561 /nfs/dbraw/zinc/64/05/61/811640561.db2.gz GWJGJMWNYHFAEN-UHFFFAOYSA-N 1 2 288.413 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCOCC ZINC001267716354 811677836 /nfs/dbraw/zinc/67/78/36/811677836.db2.gz KDBDJIRWLVXYIZ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCOCC ZINC001267716354 811677840 /nfs/dbraw/zinc/67/78/40/811677840.db2.gz KDBDJIRWLVXYIZ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001267722225 811685926 /nfs/dbraw/zinc/68/59/26/811685926.db2.gz ALHHPDJFKXKWEV-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001267722225 811685930 /nfs/dbraw/zinc/68/59/30/811685930.db2.gz ALHHPDJFKXKWEV-LBPRGKRZSA-N 1 2 290.367 0.429 20 30 CCEDLO CN(C(=O)CC#Cc1ccccc1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267777205 811779093 /nfs/dbraw/zinc/77/90/93/811779093.db2.gz KXGQEBKIOJSKRJ-OAHLLOKOSA-N 1 2 299.374 0.446 20 30 CCEDLO CN(C(=O)CC#Cc1ccccc1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267777205 811779095 /nfs/dbraw/zinc/77/90/95/811779095.db2.gz KXGQEBKIOJSKRJ-OAHLLOKOSA-N 1 2 299.374 0.446 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(F)F)C2)nn1 ZINC001105130470 811852909 /nfs/dbraw/zinc/85/29/09/811852909.db2.gz NLNWQFMAYMWDGW-UHFFFAOYSA-N 1 2 283.282 0.039 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001077348987 815484393 /nfs/dbraw/zinc/48/43/93/815484393.db2.gz PFFPDBMDMCASDD-CHWSQXEVSA-N 1 2 292.335 0.224 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001077348987 815484396 /nfs/dbraw/zinc/48/43/96/815484396.db2.gz PFFPDBMDMCASDD-CHWSQXEVSA-N 1 2 292.335 0.224 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001105333768 811940926 /nfs/dbraw/zinc/94/09/26/811940926.db2.gz OIAKTTKRJUGGQW-CQSZACIVSA-N 1 2 299.378 0.574 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553260 812035515 /nfs/dbraw/zinc/03/55/15/812035515.db2.gz SPANLYRVRJQGSM-VIFPVBQESA-N 1 2 259.737 0.147 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553260 812035525 /nfs/dbraw/zinc/03/55/25/812035525.db2.gz SPANLYRVRJQGSM-VIFPVBQESA-N 1 2 259.737 0.147 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCC(=O)NCC)C1 ZINC001268030900 812037227 /nfs/dbraw/zinc/03/72/27/812037227.db2.gz WRWIGNJKYLQNCE-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCCC(=O)NCC)C1 ZINC001268030900 812037237 /nfs/dbraw/zinc/03/72/37/812037237.db2.gz WRWIGNJKYLQNCE-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943849 812156127 /nfs/dbraw/zinc/15/61/27/812156127.db2.gz YUJAIXONVWQGIC-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943849 812156130 /nfs/dbraw/zinc/15/61/30/812156130.db2.gz YUJAIXONVWQGIC-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027976561 812186194 /nfs/dbraw/zinc/18/61/94/812186194.db2.gz CZRIVTGWXBVLSG-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1CC ZINC001028006059 812210623 /nfs/dbraw/zinc/21/06/23/812210623.db2.gz GYOONINYFFEUGN-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1CC ZINC001028006059 812210626 /nfs/dbraw/zinc/21/06/26/812210626.db2.gz GYOONINYFFEUGN-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007935 812211031 /nfs/dbraw/zinc/21/10/31/812211031.db2.gz SFMXJQBVMCTQGV-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001028007935 812211039 /nfs/dbraw/zinc/21/10/39/812211039.db2.gz SFMXJQBVMCTQGV-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001268154025 812311987 /nfs/dbraw/zinc/31/19/87/812311987.db2.gz XEKSEKZDUQGPFS-NSHDSACASA-N 1 2 274.311 0.872 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001268154025 812311996 /nfs/dbraw/zinc/31/19/96/812311996.db2.gz XEKSEKZDUQGPFS-NSHDSACASA-N 1 2 274.311 0.872 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCOC)C1 ZINC001268160106 812316055 /nfs/dbraw/zinc/31/60/55/812316055.db2.gz XPYYAXXSEUDILQ-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCOC)C1 ZINC001268160106 812316062 /nfs/dbraw/zinc/31/60/62/812316062.db2.gz XPYYAXXSEUDILQ-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC1(C)C ZINC001268244673 812410015 /nfs/dbraw/zinc/41/00/15/812410015.db2.gz GOLDDGWOHAZDTJ-GFCCVEGCSA-N 1 2 294.399 0.453 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC1(C)C ZINC001268244673 812410019 /nfs/dbraw/zinc/41/00/19/812410019.db2.gz GOLDDGWOHAZDTJ-GFCCVEGCSA-N 1 2 294.399 0.453 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001038940391 812413658 /nfs/dbraw/zinc/41/36/58/812413658.db2.gz YTWVMQFEHGIFAW-GFCCVEGCSA-N 1 2 287.367 0.370 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001038940391 812413661 /nfs/dbraw/zinc/41/36/61/812413661.db2.gz YTWVMQFEHGIFAW-GFCCVEGCSA-N 1 2 287.367 0.370 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C2(COC)CCC2)C1 ZINC001268343399 812507453 /nfs/dbraw/zinc/50/74/53/812507453.db2.gz QDADWDZUOSBVDX-UHFFFAOYSA-N 1 2 282.384 0.806 20 30 CCEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058946737 812578373 /nfs/dbraw/zinc/57/83/73/812578373.db2.gz UPDOUSGRCJPULH-LBPRGKRZSA-N 1 2 296.334 0.354 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001126366401 812687067 /nfs/dbraw/zinc/68/70/67/812687067.db2.gz UYKUUYGXABSTCQ-ZDUSSCGKSA-N 1 2 264.329 0.010 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001268495333 812705217 /nfs/dbraw/zinc/70/52/17/812705217.db2.gz MOVHJAURZKFKMG-GFCCVEGCSA-N 1 2 291.395 0.363 20 30 CCEDLO O=C(C#CC1CC1)NC/C=C/C[NH2+]Cc1nncs1 ZINC001268535199 812777308 /nfs/dbraw/zinc/77/73/08/812777308.db2.gz CGRGBODBCGPASK-OWOJBTEDSA-N 1 2 276.365 0.714 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038394671 812782457 /nfs/dbraw/zinc/78/24/57/812782457.db2.gz XDROULASJMHPBU-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038394671 812782461 /nfs/dbraw/zinc/78/24/61/812782461.db2.gz XDROULASJMHPBU-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](O)C1 ZINC001083384926 812926764 /nfs/dbraw/zinc/92/67/64/812926764.db2.gz YSFWJUZRIOMCRJ-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](O)C1 ZINC001083384926 812926771 /nfs/dbraw/zinc/92/67/71/812926771.db2.gz YSFWJUZRIOMCRJ-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001083392430 812933366 /nfs/dbraw/zinc/93/33/66/812933366.db2.gz HQHJIMGIAUHUKO-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001083392430 812933370 /nfs/dbraw/zinc/93/33/70/812933370.db2.gz HQHJIMGIAUHUKO-OLZOCXBDSA-N 1 2 276.336 0.695 20 30 CCEDLO C#CC(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001268942139 813151501 /nfs/dbraw/zinc/15/15/01/813151501.db2.gz KVGSNONMGDSDTL-UHFFFAOYSA-N 1 2 261.350 0.729 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nn1C ZINC001268944769 813153827 /nfs/dbraw/zinc/15/38/27/813153827.db2.gz LZYLKOQSXFRUPJ-BETUJISGSA-N 1 2 272.352 0.537 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nn1C ZINC001268944769 813153830 /nfs/dbraw/zinc/15/38/30/813153830.db2.gz LZYLKOQSXFRUPJ-BETUJISGSA-N 1 2 272.352 0.537 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001269223988 813274476 /nfs/dbraw/zinc/27/44/76/813274476.db2.gz SKBIHKDLPOZIIS-CABCVRRESA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001269223988 813274481 /nfs/dbraw/zinc/27/44/81/813274481.db2.gz SKBIHKDLPOZIIS-CABCVRRESA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)COC(C)(C)C ZINC001269222966 813275883 /nfs/dbraw/zinc/27/58/83/813275883.db2.gz JYQOTORIOQYAIJ-CYBMUJFWSA-N 1 2 282.384 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)COC(C)(C)C ZINC001269222966 813275887 /nfs/dbraw/zinc/27/58/87/813275887.db2.gz JYQOTORIOQYAIJ-CYBMUJFWSA-N 1 2 282.384 0.642 20 30 CCEDLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCN(CC#N)C1 ZINC001269262906 813296273 /nfs/dbraw/zinc/29/62/73/813296273.db2.gz MDCXQMAWYBBHKJ-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001269337677 813332172 /nfs/dbraw/zinc/33/21/72/813332172.db2.gz MUNGLTOWIPXBRJ-DOMZBBRYSA-N 1 2 299.374 0.275 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001269337677 813332179 /nfs/dbraw/zinc/33/21/79/813332179.db2.gz MUNGLTOWIPXBRJ-DOMZBBRYSA-N 1 2 299.374 0.275 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC001269751416 813490575 /nfs/dbraw/zinc/49/05/75/813490575.db2.gz NHPLVJMNANSDKL-UHFFFAOYSA-N 1 2 292.383 0.687 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001269768606 813500606 /nfs/dbraw/zinc/50/06/06/813500606.db2.gz KWHYKHZSGFIJJC-UHFFFAOYSA-N 1 2 263.345 0.456 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098694892 813848777 /nfs/dbraw/zinc/84/87/77/813848777.db2.gz MBXOGZKUVBMMCD-MRVWCRGKSA-N 1 2 287.367 0.430 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001271349484 814388382 /nfs/dbraw/zinc/38/83/82/814388382.db2.gz GWEJRHXFPPVPKS-STQMWFEESA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001127052078 815605202 /nfs/dbraw/zinc/60/52/02/815605202.db2.gz QRVZACZLSYYEKP-UWVGGRQHSA-N 1 2 280.328 0.183 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001271862492 814614172 /nfs/dbraw/zinc/61/41/72/814614172.db2.gz XXNZGZFYMJFICR-QWHCGFSZSA-N 1 2 289.383 0.699 20 30 CCEDLO N#CCN[C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433888 814685883 /nfs/dbraw/zinc/68/58/83/814685883.db2.gz IOKJOUQWJNUHDF-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](O)C1 ZINC001083640021 815583864 /nfs/dbraw/zinc/58/38/64/815583864.db2.gz WLRLCOHGCAUCNU-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](O)C1 ZINC001083640021 815583868 /nfs/dbraw/zinc/58/38/68/815583868.db2.gz WLRLCOHGCAUCNU-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105454340 814893361 /nfs/dbraw/zinc/89/33/61/814893361.db2.gz VVDOOQLUUJDNMW-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO COC[C@H](C)[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030202552 815885021 /nfs/dbraw/zinc/88/50/21/815885021.db2.gz WQPRZQVWZZPJNH-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2NC(C)=O)C1 ZINC001030412600 816023410 /nfs/dbraw/zinc/02/34/10/816023410.db2.gz OWEJCYREFPXNNR-UHFFFAOYSA-N 1 2 286.335 0.477 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552244 816102768 /nfs/dbraw/zinc/10/27/68/816102768.db2.gz GNOGQQRZUMKUQX-LLVKDONJSA-N 1 2 294.786 0.998 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](O)C1 ZINC001083687958 816397830 /nfs/dbraw/zinc/39/78/30/816397830.db2.gz SQRQCTRDWBKLMA-KGLIPLIRSA-N 1 2 290.367 0.160 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](O)C1 ZINC001083687958 816397837 /nfs/dbraw/zinc/39/78/37/816397837.db2.gz SQRQCTRDWBKLMA-KGLIPLIRSA-N 1 2 290.367 0.160 20 30 CCEDLO C=C(Br)CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031017327 816565617 /nfs/dbraw/zinc/56/56/17/816565617.db2.gz XXRLNESPYIKDRB-UHFFFAOYSA-N 1 2 299.172 0.661 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001031094811 816641084 /nfs/dbraw/zinc/64/10/84/816641084.db2.gz PEZXLUPMFBERHL-UHFFFAOYSA-N 1 2 287.323 0.425 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001031129357 816677911 /nfs/dbraw/zinc/67/79/11/816677911.db2.gz OOQJNUQZTYJXSZ-CQSZACIVSA-N 1 2 285.347 0.848 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001031227136 816851589 /nfs/dbraw/zinc/85/15/89/816851589.db2.gz VWVOSIZVWXQWSH-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001031310053 816953746 /nfs/dbraw/zinc/95/37/46/816953746.db2.gz JVMKOQNKROCVIV-UHFFFAOYSA-N 1 2 257.297 0.100 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001031427376 817049462 /nfs/dbraw/zinc/04/94/62/817049462.db2.gz WJQUFTNYMTVPFD-LLVKDONJSA-N 1 2 275.356 0.217 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001031507366 817088670 /nfs/dbraw/zinc/08/86/70/817088670.db2.gz SKCIMMKYHCRPNQ-NSHDSACASA-N 1 2 260.341 0.347 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001124054297 817268571 /nfs/dbraw/zinc/26/85/71/817268571.db2.gz JRWODMSZGUGNNR-GFCCVEGCSA-N 1 2 261.325 0.554 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124156600 817319773 /nfs/dbraw/zinc/31/97/73/817319773.db2.gz AAEFKXPWPGSYEX-LBPRGKRZSA-N 1 2 278.356 0.982 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124765141 817566503 /nfs/dbraw/zinc/56/65/03/817566503.db2.gz MOXSYLFCDRADPX-UHFFFAOYSA-N 1 2 279.340 0.960 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001124768190 817569586 /nfs/dbraw/zinc/56/95/86/817569586.db2.gz VZMYTWMYBDXLFC-SNVBAGLBSA-N 1 2 298.343 0.185 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124889497 817617284 /nfs/dbraw/zinc/61/72/84/817617284.db2.gz QXUUIXIQQRKJIG-MRVPVSSYSA-N 1 2 263.301 0.312 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888038 817667398 /nfs/dbraw/zinc/66/73/98/817667398.db2.gz CDMHVEGMKCLKJO-DGAVXFQQSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888038 817667400 /nfs/dbraw/zinc/66/74/00/817667400.db2.gz CDMHVEGMKCLKJO-DGAVXFQQSA-N 1 2 299.378 0.149 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211671 817708098 /nfs/dbraw/zinc/70/80/98/817708098.db2.gz VZZUIBJDWNQVIX-UHFFFAOYSA-N 1 2 298.774 0.138 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CSC)nn2)C1 ZINC001107119520 817770499 /nfs/dbraw/zinc/77/04/99/817770499.db2.gz DRBYCICQXQBSJN-UHFFFAOYSA-N 1 2 281.385 0.300 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1C ZINC001032274912 817773798 /nfs/dbraw/zinc/77/37/98/817773798.db2.gz SDCDAGUHKROCNM-QWRGUYRKSA-N 1 2 276.365 0.769 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1C ZINC001032274912 817773806 /nfs/dbraw/zinc/77/38/06/817773806.db2.gz SDCDAGUHKROCNM-QWRGUYRKSA-N 1 2 276.365 0.769 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)/C=C\C3CC3)nn2)C1 ZINC001107153757 817796263 /nfs/dbraw/zinc/79/62/63/817796263.db2.gz NLVDRTCUPOCHFF-SREVYHEPSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC001032300287 817810922 /nfs/dbraw/zinc/81/09/22/817810922.db2.gz WXVWZDUIHQKZFZ-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC001032300287 817810929 /nfs/dbraw/zinc/81/09/29/817810929.db2.gz WXVWZDUIHQKZFZ-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C)C1 ZINC001077597738 817859136 /nfs/dbraw/zinc/85/91/36/817859136.db2.gz IZOQNAHZKVSAEQ-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C)C1 ZINC001077597738 817859144 /nfs/dbraw/zinc/85/91/44/817859144.db2.gz IZOQNAHZKVSAEQ-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001077643765 817911168 /nfs/dbraw/zinc/91/11/68/817911168.db2.gz IFOZSPXLLQWOEZ-JLNYLFASSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001077643765 817911174 /nfs/dbraw/zinc/91/11/74/817911174.db2.gz IFOZSPXLLQWOEZ-JLNYLFASSA-N 1 2 262.353 0.361 20 30 CCEDLO N#CCN1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654362 817919429 /nfs/dbraw/zinc/91/94/29/817919429.db2.gz VLGNMVATXORTBF-UKRRQHHQSA-N 1 2 287.367 0.767 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 ZINC001032342143 817923325 /nfs/dbraw/zinc/92/33/25/817923325.db2.gz NRFDQVSAELLIPM-RYUDHWBXSA-N 1 2 275.356 0.599 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 ZINC001032342143 817923331 /nfs/dbraw/zinc/92/33/31/817923331.db2.gz NRFDQVSAELLIPM-RYUDHWBXSA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001077655332 817940811 /nfs/dbraw/zinc/94/08/11/817940811.db2.gz KGOLFKDRSYUQMH-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001077655332 817940816 /nfs/dbraw/zinc/94/08/16/817940816.db2.gz KGOLFKDRSYUQMH-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766392 817993098 /nfs/dbraw/zinc/99/30/98/817993098.db2.gz RSIUDVAYUMKWMM-HOCLYGCPSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001107766392 817993101 /nfs/dbraw/zinc/99/31/01/817993101.db2.gz RSIUDVAYUMKWMM-HOCLYGCPSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107797894 818014226 /nfs/dbraw/zinc/01/42/26/818014226.db2.gz ILGMOIZWHBTAKE-GXTWGEPZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107797894 818014233 /nfs/dbraw/zinc/01/42/33/818014233.db2.gz ILGMOIZWHBTAKE-GXTWGEPZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107807164 818021113 /nfs/dbraw/zinc/02/11/13/818021113.db2.gz UTZUSYIAWQHCDQ-DZGCQCFKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107807164 818021121 /nfs/dbraw/zinc/02/11/21/818021121.db2.gz UTZUSYIAWQHCDQ-DZGCQCFKSA-N 1 2 282.384 0.806 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829346 818056505 /nfs/dbraw/zinc/05/65/05/818056505.db2.gz FOHHMHALUIDQHW-VXGBXAGGSA-N 1 2 273.340 0.424 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NCC#N ZINC001054952498 818090960 /nfs/dbraw/zinc/09/09/60/818090960.db2.gz VDMROTNIIROCAD-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2CC)C1 ZINC001108046840 818112355 /nfs/dbraw/zinc/11/23/55/818112355.db2.gz YQPDTIJKHZGGNF-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2CC)C1 ZINC001108046840 818112358 /nfs/dbraw/zinc/11/23/58/818112358.db2.gz YQPDTIJKHZGGNF-HNNXBMFYSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090036521 818315811 /nfs/dbraw/zinc/31/58/11/818315811.db2.gz FYVRFLYLBOTIFU-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090036521 818315819 /nfs/dbraw/zinc/31/58/19/818315819.db2.gz FYVRFLYLBOTIFU-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033037576 818449623 /nfs/dbraw/zinc/44/96/23/818449623.db2.gz ZUNVNOTUKJZFKF-GFCCVEGCSA-N 1 2 273.336 0.957 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090087130 818486153 /nfs/dbraw/zinc/48/61/53/818486153.db2.gz IHIGUUPRURMBEZ-YPMHNXCESA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090087130 818486158 /nfs/dbraw/zinc/48/61/58/818486158.db2.gz IHIGUUPRURMBEZ-YPMHNXCESA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CC3(C)COC3)C2)OCC1=O ZINC001273063720 818550028 /nfs/dbraw/zinc/55/00/28/818550028.db2.gz LHRIHMHFUYMGEY-UHFFFAOYSA-N 1 2 280.368 0.512 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033139471 818563837 /nfs/dbraw/zinc/56/38/37/818563837.db2.gz GKWGKDCXFMOUNQ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033139471 818563845 /nfs/dbraw/zinc/56/38/45/818563845.db2.gz GKWGKDCXFMOUNQ-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090130506 818690755 /nfs/dbraw/zinc/69/07/55/818690755.db2.gz XZQSKUNSMORMNS-NWDGAFQWSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090130506 818690760 /nfs/dbraw/zinc/69/07/60/818690760.db2.gz XZQSKUNSMORMNS-NWDGAFQWSA-N 1 2 299.758 0.521 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csnn2)C1 ZINC001108101905 818691837 /nfs/dbraw/zinc/69/18/37/818691837.db2.gz VFQZSHNFEKPHSE-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csnn2)C1 ZINC001108101905 818691842 /nfs/dbraw/zinc/69/18/42/818691842.db2.gz VFQZSHNFEKPHSE-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC001090134810 818714803 /nfs/dbraw/zinc/71/48/03/818714803.db2.gz RGVPSYXCLQMQBA-RYUDHWBXSA-N 1 2 278.356 0.378 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC001090134810 818714809 /nfs/dbraw/zinc/71/48/09/818714809.db2.gz RGVPSYXCLQMQBA-RYUDHWBXSA-N 1 2 278.356 0.378 20 30 CCEDLO C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CN(CC#N)CCO1 ZINC001108106992 818719482 /nfs/dbraw/zinc/71/94/82/818719482.db2.gz NNTYDAAGHONAAO-CQSZACIVSA-N 1 2 291.355 0.004 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033400741 818765162 /nfs/dbraw/zinc/76/51/62/818765162.db2.gz XBBKGMLWCCZDMW-NSHDSACASA-N 1 2 265.357 0.361 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033400741 818765167 /nfs/dbraw/zinc/76/51/67/818765167.db2.gz XBBKGMLWCCZDMW-NSHDSACASA-N 1 2 265.357 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128636703 818766046 /nfs/dbraw/zinc/76/60/46/818766046.db2.gz CWXOMQRFMBOQJV-OLZOCXBDSA-N 1 2 275.356 0.443 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128636703 818766050 /nfs/dbraw/zinc/76/60/50/818766050.db2.gz CWXOMQRFMBOQJV-OLZOCXBDSA-N 1 2 275.356 0.443 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]nc2C)C1 ZINC001108107756 818886830 /nfs/dbraw/zinc/88/68/30/818886830.db2.gz GYOLVXFRBVMBLQ-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]nc2C)C1 ZINC001108107756 818886832 /nfs/dbraw/zinc/88/68/32/818886832.db2.gz GYOLVXFRBVMBLQ-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCNC2=O)C1 ZINC001033924529 818989265 /nfs/dbraw/zinc/98/92/65/818989265.db2.gz XYROJHCUQFGNCY-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCNC2=O)C1 ZINC001033924529 818989270 /nfs/dbraw/zinc/98/92/70/818989270.db2.gz XYROJHCUQFGNCY-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001034282141 819153773 /nfs/dbraw/zinc/15/37/73/819153773.db2.gz MHOYSVZULUDVCO-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001034282141 819153779 /nfs/dbraw/zinc/15/37/79/819153779.db2.gz MHOYSVZULUDVCO-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001108151794 819321162 /nfs/dbraw/zinc/32/11/62/819321162.db2.gz TZIZLHSZLOYLLZ-ZDUSSCGKSA-N 1 2 297.380 0.855 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001108151794 819321165 /nfs/dbraw/zinc/32/11/65/819321165.db2.gz TZIZLHSZLOYLLZ-ZDUSSCGKSA-N 1 2 297.380 0.855 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C#N)o1 ZINC001034886891 819355186 /nfs/dbraw/zinc/35/51/86/819355186.db2.gz PLKDLZPOFRKZAY-GHMZBOCLSA-N 1 2 291.355 0.872 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC001035291034 819438073 /nfs/dbraw/zinc/43/80/73/819438073.db2.gz XMMVRBVEHHLIMM-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC001035291034 819438077 /nfs/dbraw/zinc/43/80/77/819438077.db2.gz XMMVRBVEHHLIMM-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303685 819455062 /nfs/dbraw/zinc/45/50/62/819455062.db2.gz SEELFHFCNWCVKG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC001035303685 819455070 /nfs/dbraw/zinc/45/50/70/819455070.db2.gz SEELFHFCNWCVKG-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159749 819465100 /nfs/dbraw/zinc/46/51/00/819465100.db2.gz UNJFVZDIFDJWGN-FRRDWIJNSA-N 1 2 293.346 0.247 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159749 819465105 /nfs/dbraw/zinc/46/51/05/819465105.db2.gz UNJFVZDIFDJWGN-FRRDWIJNSA-N 1 2 293.346 0.247 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035337629 819478789 /nfs/dbraw/zinc/47/87/89/819478789.db2.gz WBPSSLRCKGCKGU-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001035337629 819478795 /nfs/dbraw/zinc/47/87/95/819478795.db2.gz WBPSSLRCKGCKGU-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035339364 819480993 /nfs/dbraw/zinc/48/09/93/819480993.db2.gz KXFDKZAXNXPDJG-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035339364 819480998 /nfs/dbraw/zinc/48/09/98/819480998.db2.gz KXFDKZAXNXPDJG-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001035342204 819483082 /nfs/dbraw/zinc/48/30/82/819483082.db2.gz BDHHXIBOQNTUQA-NSHDSACASA-N 1 2 293.371 0.009 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001035342204 819483085 /nfs/dbraw/zinc/48/30/85/819483085.db2.gz BDHHXIBOQNTUQA-NSHDSACASA-N 1 2 293.371 0.009 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035366461 819490077 /nfs/dbraw/zinc/49/00/77/819490077.db2.gz PXEQDJWRNIITIE-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001035366461 819490080 /nfs/dbraw/zinc/49/00/80/819490080.db2.gz PXEQDJWRNIITIE-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001035351081 819494939 /nfs/dbraw/zinc/49/49/39/819494939.db2.gz VMPZHTKVLOYYEW-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001035351081 819494943 /nfs/dbraw/zinc/49/49/43/819494943.db2.gz VMPZHTKVLOYYEW-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035353957 819495145 /nfs/dbraw/zinc/49/51/45/819495145.db2.gz QLLDREAJBLMHGR-AWEZNQCLSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035353957 819495149 /nfs/dbraw/zinc/49/51/49/819495149.db2.gz QLLDREAJBLMHGR-AWEZNQCLSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccns2)C1 ZINC001035387045 819504692 /nfs/dbraw/zinc/50/46/92/819504692.db2.gz UJGIKBSSHMKCKK-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccns2)C1 ZINC001035387045 819504700 /nfs/dbraw/zinc/50/47/00/819504700.db2.gz UJGIKBSSHMKCKK-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035410694 819516186 /nfs/dbraw/zinc/51/61/86/819516186.db2.gz WKFGPNVTIPOFDD-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001035410694 819516188 /nfs/dbraw/zinc/51/61/88/819516188.db2.gz WKFGPNVTIPOFDD-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035407824 819516454 /nfs/dbraw/zinc/51/64/54/819516454.db2.gz TWSUOARUPMYIBB-RUXDESIVSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035407824 819516459 /nfs/dbraw/zinc/51/64/59/819516459.db2.gz TWSUOARUPMYIBB-RUXDESIVSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001035417256 819520699 /nfs/dbraw/zinc/52/06/99/819520699.db2.gz UVFPHHCBRXVWHI-ZDUSSCGKSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001035417256 819520702 /nfs/dbraw/zinc/52/07/02/819520702.db2.gz UVFPHHCBRXVWHI-ZDUSSCGKSA-N 1 2 291.351 0.002 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001035462556 819536894 /nfs/dbraw/zinc/53/68/94/819536894.db2.gz FAWUAHCZLLSGNT-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001035462556 819536897 /nfs/dbraw/zinc/53/68/97/819536897.db2.gz FAWUAHCZLLSGNT-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001035562672 819569875 /nfs/dbraw/zinc/56/98/75/819569875.db2.gz LMKTVFIJKIBFCF-ZDUSSCGKSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001035562672 819569879 /nfs/dbraw/zinc/56/98/79/819569879.db2.gz LMKTVFIJKIBFCF-ZDUSSCGKSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001083882612 820055041 /nfs/dbraw/zinc/05/50/41/820055041.db2.gz JOXQXOJZJAKIBE-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001083882612 820055049 /nfs/dbraw/zinc/05/50/49/820055049.db2.gz JOXQXOJZJAKIBE-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001079797004 820470500 /nfs/dbraw/zinc/47/05/00/820470500.db2.gz VTGGSETUDFHHHW-YUSALJHKSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001079797004 820470503 /nfs/dbraw/zinc/47/05/03/820470503.db2.gz VTGGSETUDFHHHW-YUSALJHKSA-N 1 2 299.802 0.654 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991530 820497646 /nfs/dbraw/zinc/49/76/46/820497646.db2.gz LGXKEHCJAHIEOG-MBNYWOFBSA-N 1 2 287.367 0.406 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001080281279 820545044 /nfs/dbraw/zinc/54/50/44/820545044.db2.gz YGVFZDXZKDVCGI-JLLWLGSASA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001080281279 820545050 /nfs/dbraw/zinc/54/50/50/820545050.db2.gz YGVFZDXZKDVCGI-JLLWLGSASA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614480 820599322 /nfs/dbraw/zinc/59/93/22/820599322.db2.gz RLQFBIYBKSYEGR-LDYMZIIASA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614480 820599329 /nfs/dbraw/zinc/59/93/29/820599329.db2.gz RLQFBIYBKSYEGR-LDYMZIIASA-N 1 2 283.763 0.618 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)[C@H](OC)C1 ZINC001081319788 820728024 /nfs/dbraw/zinc/72/80/24/820728024.db2.gz BDJPVEWEXAFYRK-DGCLKSJQSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)o2)[C@H](OC)C1 ZINC001081319788 820728032 /nfs/dbraw/zinc/72/80/32/820728032.db2.gz BDJPVEWEXAFYRK-DGCLKSJQSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001081586948 820792095 /nfs/dbraw/zinc/79/20/95/820792095.db2.gz CLVKNBNHSBKTEW-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001081586948 820792104 /nfs/dbraw/zinc/79/21/04/820792104.db2.gz CLVKNBNHSBKTEW-CHWSQXEVSA-N 1 2 262.309 0.650 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](OC)C1 ZINC001081701860 820818411 /nfs/dbraw/zinc/81/84/11/820818411.db2.gz HNTLAWLNZACGEF-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](OC)C1 ZINC001081701860 820818423 /nfs/dbraw/zinc/81/84/23/820818423.db2.gz HNTLAWLNZACGEF-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)[C@H](OC)C1 ZINC001082106162 820902914 /nfs/dbraw/zinc/90/29/14/820902914.db2.gz DKHCJPYNRJGFCI-GHMZBOCLSA-N 1 2 282.319 0.554 20 30 CCEDLO C=CCC[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)[C@H](OC)C1 ZINC001082106162 820902918 /nfs/dbraw/zinc/90/29/18/820902918.db2.gz DKHCJPYNRJGFCI-GHMZBOCLSA-N 1 2 282.319 0.554 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@H](OC)C1 ZINC001082149877 820908585 /nfs/dbraw/zinc/90/85/85/820908585.db2.gz SUEBIFSWEGAVOD-ZIAGYGMSSA-N 1 2 290.367 0.595 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@H](OC)C1 ZINC001082149877 820908591 /nfs/dbraw/zinc/90/85/91/820908591.db2.gz SUEBIFSWEGAVOD-ZIAGYGMSSA-N 1 2 290.367 0.595 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@H](OC)C1 ZINC001082264370 820927641 /nfs/dbraw/zinc/92/76/41/820927641.db2.gz YSDWQOJOWGHTPU-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@H](OC)C1 ZINC001082264370 820927650 /nfs/dbraw/zinc/92/76/50/820927650.db2.gz YSDWQOJOWGHTPU-ZIAGYGMSSA-N 1 2 290.367 0.274 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n1 ZINC001082451037 820973134 /nfs/dbraw/zinc/97/31/34/820973134.db2.gz OGVSRFYHGHMPRY-HBNTYKKESA-N 1 2 291.355 0.728 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC001082796972 821033181 /nfs/dbraw/zinc/03/31/81/821033181.db2.gz XBDSVDBABFQAIP-DMDPSCGWSA-N 1 2 275.356 0.548 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC001082796972 821033186 /nfs/dbraw/zinc/03/31/86/821033186.db2.gz XBDSVDBABFQAIP-DMDPSCGWSA-N 1 2 275.356 0.548 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCO3)[C@H]2C1 ZINC001082992328 821094678 /nfs/dbraw/zinc/09/46/78/821094678.db2.gz WJUIQSZBQRDQKS-BFHYXJOUSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCO3)[C@H]2C1 ZINC001082992328 821094691 /nfs/dbraw/zinc/09/46/91/821094691.db2.gz WJUIQSZBQRDQKS-BFHYXJOUSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082993152 821096613 /nfs/dbraw/zinc/09/66/13/821096613.db2.gz JESQGDVFQLJSFY-QWHCGFSZSA-N 1 2 275.308 0.141 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)on3)[C@H]2C1 ZINC001082993152 821096623 /nfs/dbraw/zinc/09/66/23/821096623.db2.gz JESQGDVFQLJSFY-QWHCGFSZSA-N 1 2 275.308 0.141 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001082994215 821096746 /nfs/dbraw/zinc/09/67/46/821096746.db2.gz CYZZUKZAUNMATI-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001082994215 821096752 /nfs/dbraw/zinc/09/67/52/821096752.db2.gz CYZZUKZAUNMATI-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083024539 821112659 /nfs/dbraw/zinc/11/26/59/821112659.db2.gz QVEMPFCQKAKTAU-QZYVDIICSA-N 1 2 283.759 0.810 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083024539 821112665 /nfs/dbraw/zinc/11/26/65/821112665.db2.gz QVEMPFCQKAKTAU-QZYVDIICSA-N 1 2 283.759 0.810 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083022373 821113393 /nfs/dbraw/zinc/11/33/93/821113393.db2.gz CQYHJKHOTPGNKJ-NWDGAFQWSA-N 1 2 279.365 0.854 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083022373 821113396 /nfs/dbraw/zinc/11/33/96/821113396.db2.gz CQYHJKHOTPGNKJ-NWDGAFQWSA-N 1 2 279.365 0.854 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3)[C@H]2C1 ZINC001083049867 821126727 /nfs/dbraw/zinc/12/67/27/821126727.db2.gz NEIKLYQNKYLQHM-LSDHHAIUSA-N 1 2 287.363 0.574 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3)[C@H]2C1 ZINC001083049867 821126735 /nfs/dbraw/zinc/12/67/35/821126735.db2.gz NEIKLYQNKYLQHM-LSDHHAIUSA-N 1 2 287.363 0.574 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052595 821128633 /nfs/dbraw/zinc/12/86/33/821128633.db2.gz UMYLREDLUIYUSE-YNEHKIRRSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052595 821128636 /nfs/dbraw/zinc/12/86/36/821128636.db2.gz UMYLREDLUIYUSE-YNEHKIRRSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1 ZINC001083054461 821128918 /nfs/dbraw/zinc/12/89/18/821128918.db2.gz KSDGNLQNGATMHQ-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1 ZINC001083054461 821128927 /nfs/dbraw/zinc/12/89/27/821128927.db2.gz KSDGNLQNGATMHQ-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3C)[C@H]2C1 ZINC001083078030 821136626 /nfs/dbraw/zinc/13/66/26/821136626.db2.gz IXJBLIUSGAGYRB-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3C)[C@H]2C1 ZINC001083078030 821136633 /nfs/dbraw/zinc/13/66/33/821136633.db2.gz IXJBLIUSGAGYRB-QWHCGFSZSA-N 1 2 288.351 0.267 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)[C@@H](O)C1 ZINC001083978504 821166684 /nfs/dbraw/zinc/16/66/84/821166684.db2.gz SPTAVZPUMCWTLY-MNOVXSKESA-N 1 2 293.392 0.981 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)[C@@H](O)C1 ZINC001083978504 821166689 /nfs/dbraw/zinc/16/66/89/821166689.db2.gz SPTAVZPUMCWTLY-MNOVXSKESA-N 1 2 293.392 0.981 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001084069639 821193194 /nfs/dbraw/zinc/19/31/94/821193194.db2.gz MLFNHUKSBZUIMM-KGLIPLIRSA-N 1 2 290.338 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001084069639 821193197 /nfs/dbraw/zinc/19/31/97/821193197.db2.gz MLFNHUKSBZUIMM-KGLIPLIRSA-N 1 2 290.338 0.851 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001084117171 821195505 /nfs/dbraw/zinc/19/55/05/821195505.db2.gz JFKSQGRCUGXMKZ-OLZOCXBDSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001084117171 821195514 /nfs/dbraw/zinc/19/55/14/821195514.db2.gz JFKSQGRCUGXMKZ-OLZOCXBDSA-N 1 2 276.311 0.542 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084540418 821308801 /nfs/dbraw/zinc/30/88/01/821308801.db2.gz BNCBWFUVXARNQO-CHWSQXEVSA-N 1 2 287.367 0.409 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C[C@@H]1O ZINC001099856307 821446422 /nfs/dbraw/zinc/44/64/22/821446422.db2.gz VGXCYLFNAXKVQD-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C[C@@H]1O ZINC001099856307 821446429 /nfs/dbraw/zinc/44/64/29/821446429.db2.gz VGXCYLFNAXKVQD-STQMWFEESA-N 1 2 297.399 0.030 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065700175 821579102 /nfs/dbraw/zinc/57/91/02/821579102.db2.gz OVDOVJNJDPQXCR-HNNXBMFYSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C ZINC001085519012 821764355 /nfs/dbraw/zinc/76/43/55/821764355.db2.gz GMRLCPHVLQVRJS-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C ZINC001085519012 821764357 /nfs/dbraw/zinc/76/43/57/821764357.db2.gz GMRLCPHVLQVRJS-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085543428 821775721 /nfs/dbraw/zinc/77/57/21/821775721.db2.gz XDPGQWMKCJDBRF-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085543428 821775729 /nfs/dbraw/zinc/77/57/29/821775729.db2.gz XDPGQWMKCJDBRF-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001085552352 821787399 /nfs/dbraw/zinc/78/73/99/821787399.db2.gz AVAJGVSKJTUFJS-GFCCVEGCSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001085552352 821787400 /nfs/dbraw/zinc/78/74/00/821787400.db2.gz AVAJGVSKJTUFJS-GFCCVEGCSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085583577 821823097 /nfs/dbraw/zinc/82/30/97/821823097.db2.gz LZRQAOGZFLVAFC-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085583577 821823101 /nfs/dbraw/zinc/82/31/01/821823101.db2.gz LZRQAOGZFLVAFC-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(N(C)C)cn1 ZINC001085596299 821836518 /nfs/dbraw/zinc/83/65/18/821836518.db2.gz ZDSRHXDJJZEUHT-LBPRGKRZSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(N(C)C)cn1 ZINC001085596299 821836528 /nfs/dbraw/zinc/83/65/28/821836528.db2.gz ZDSRHXDJJZEUHT-LBPRGKRZSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCC2 ZINC001085632097 821863044 /nfs/dbraw/zinc/86/30/44/821863044.db2.gz LJZFQHYUUWKKFT-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCC2 ZINC001085632097 821863054 /nfs/dbraw/zinc/86/30/54/821863054.db2.gz LJZFQHYUUWKKFT-GFCCVEGCSA-N 1 2 272.352 0.609 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2nnnc2c1 ZINC001085761672 821935191 /nfs/dbraw/zinc/93/51/91/821935191.db2.gz PSVNYSLRWOXMNK-CYBMUJFWSA-N 1 2 298.350 0.294 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2nnnc2c1 ZINC001085761672 821935196 /nfs/dbraw/zinc/93/51/96/821935196.db2.gz PSVNYSLRWOXMNK-CYBMUJFWSA-N 1 2 298.350 0.294 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825401 821968887 /nfs/dbraw/zinc/96/88/87/821968887.db2.gz JOMPUZISOUEIPK-YNEHKIRRSA-N 1 2 287.367 0.580 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001273366060 821984367 /nfs/dbraw/zinc/98/43/67/821984367.db2.gz RACAKCBSECLOEF-OAHLLOKOSA-N 1 2 281.400 0.427 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085908305 822010143 /nfs/dbraw/zinc/01/01/43/822010143.db2.gz GDTDVDJRAQFUGO-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085908305 822010155 /nfs/dbraw/zinc/01/01/55/822010155.db2.gz GDTDVDJRAQFUGO-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CCOc1ncccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#C ZINC001085931523 822022181 /nfs/dbraw/zinc/02/21/81/822022181.db2.gz ASLBSTJYHWTIJK-CQSZACIVSA-N 1 2 297.358 0.873 20 30 CCEDLO C#CCOc1ncccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#C ZINC001085931523 822022183 /nfs/dbraw/zinc/02/21/83/822022183.db2.gz ASLBSTJYHWTIJK-CQSZACIVSA-N 1 2 297.358 0.873 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086147634 822129473 /nfs/dbraw/zinc/12/94/73/822129473.db2.gz RZFZKAGQINHPSQ-TXEJJXNPSA-N 1 2 283.335 0.956 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncccn2)C1 ZINC001108294988 822330165 /nfs/dbraw/zinc/33/01/65/822330165.db2.gz ONYBOHGEOUEIFX-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncccn2)C1 ZINC001108294988 822330178 /nfs/dbraw/zinc/33/01/78/822330178.db2.gz ONYBOHGEOUEIFX-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114051655 837417501 /nfs/dbraw/zinc/41/75/01/837417501.db2.gz ZTFVREOKDPPSDW-IMRBUKKESA-N 1 2 277.324 0.424 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114051655 837417505 /nfs/dbraw/zinc/41/75/05/837417505.db2.gz ZTFVREOKDPPSDW-IMRBUKKESA-N 1 2 277.324 0.424 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108408901 836042023 /nfs/dbraw/zinc/04/20/23/836042023.db2.gz PFYQJTJSIJEWOI-HOCLYGCPSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108408901 836042036 /nfs/dbraw/zinc/04/20/36/836042036.db2.gz PFYQJTJSIJEWOI-HOCLYGCPSA-N 1 2 296.411 0.889 20 30 CCEDLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)CO1 ZINC001169407250 836257598 /nfs/dbraw/zinc/25/75/98/836257598.db2.gz AQOMWEDOLVFABZ-IJLUTSLNSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)CO1 ZINC001169407250 836257603 /nfs/dbraw/zinc/25/76/03/836257603.db2.gz AQOMWEDOLVFABZ-IJLUTSLNSA-N 1 2 252.314 0.943 20 30 CCEDLO C=C[C@@H](CO)Nc1[nH+]ccc(OC)c1C(=O)OC ZINC001169780337 836443335 /nfs/dbraw/zinc/44/33/35/836443335.db2.gz UDQQBTBYCJDLSA-QMMMGPOBSA-N 1 2 252.270 0.836 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108568599 836455570 /nfs/dbraw/zinc/45/55/70/836455570.db2.gz XVTGYIXEJOEZEC-ZDUSSCGKSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169918074 836479353 /nfs/dbraw/zinc/47/93/53/836479353.db2.gz YSDVUSAXMNJZCP-RYUDHWBXSA-N 1 2 267.325 0.827 20 30 CCEDLO CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108862546 836555182 /nfs/dbraw/zinc/55/51/82/836555182.db2.gz UDTICPNRAXATCX-WOPDTQHZSA-N 1 2 278.356 0.148 20 30 CCEDLO CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108862546 836555191 /nfs/dbraw/zinc/55/51/91/836555191.db2.gz UDTICPNRAXATCX-WOPDTQHZSA-N 1 2 278.356 0.148 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2nccs2)CC1 ZINC001187923678 844808073 /nfs/dbraw/zinc/80/80/73/844808073.db2.gz VWBHIVNEMWAWQR-UHFFFAOYSA-N 1 2 286.382 0.409 20 30 CCEDLO C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056324 836607313 /nfs/dbraw/zinc/60/73/13/836607313.db2.gz ACBXMWSFTBBXNJ-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058443 836611052 /nfs/dbraw/zinc/61/10/52/836611052.db2.gz WZMVPWREMHWSQS-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)on2)CC1 ZINC001112602221 836811032 /nfs/dbraw/zinc/81/10/32/836811032.db2.gz QYSUCHQPZLMDQV-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001112611802 836825226 /nfs/dbraw/zinc/82/52/26/836825226.db2.gz GZAORRFMVHPNLH-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112703688 836873611 /nfs/dbraw/zinc/87/36/11/836873611.db2.gz CMVRCAAHAZNDCT-UHFFFAOYSA-N 1 2 282.384 0.760 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001112808585 836922215 /nfs/dbraw/zinc/92/22/15/836922215.db2.gz HXNRKYVEHHLPPE-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC001112827868 836933815 /nfs/dbraw/zinc/93/38/15/836933815.db2.gz ALPMASGLWPFUTQ-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCN(C)C(C)=O)CC1 ZINC001113592027 837172286 /nfs/dbraw/zinc/17/22/86/837172286.db2.gz WYQMLDVRWYBXPK-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 ZINC001113702146 837199649 /nfs/dbraw/zinc/19/96/49/837199649.db2.gz WOIXDJWFLYYCKC-HNNXBMFYSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC001113718461 837204100 /nfs/dbraw/zinc/20/41/00/837204100.db2.gz GQYVFYATUQOSMJ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131729072 838192294 /nfs/dbraw/zinc/19/22/94/838192294.db2.gz BSUUANRSFGUQOG-GHMZBOCLSA-N 1 2 266.345 0.005 20 30 CCEDLO CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131729072 838192299 /nfs/dbraw/zinc/19/22/99/838192299.db2.gz BSUUANRSFGUQOG-GHMZBOCLSA-N 1 2 266.345 0.005 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018290 838299996 /nfs/dbraw/zinc/29/99/96/838299996.db2.gz WIFGXIIUYFUHCK-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018290 838300006 /nfs/dbraw/zinc/30/00/06/838300006.db2.gz WIFGXIIUYFUHCK-ZIAGYGMSSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132391186 838386804 /nfs/dbraw/zinc/38/68/04/838386804.db2.gz CLZNVKQXEFWTQZ-UHFFFAOYSA-N 1 2 254.359 0.956 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132573479 838440421 /nfs/dbraw/zinc/44/04/21/838440421.db2.gz OKKLDGXCZFMADG-NXEZZACHSA-N 1 2 252.318 0.734 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090671161 839724883 /nfs/dbraw/zinc/72/48/83/839724883.db2.gz GUNIKKSMZHYTHA-WDEREUQCSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090671161 839724888 /nfs/dbraw/zinc/72/48/88/839724888.db2.gz GUNIKKSMZHYTHA-WDEREUQCSA-N 1 2 298.774 0.256 20 30 CCEDLO C#CC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001143907643 839889399 /nfs/dbraw/zinc/88/93/99/839889399.db2.gz YAWPBDGRPHYZGZ-UHFFFAOYSA-N 1 2 256.265 0.437 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCCO1 ZINC001144085179 839934571 /nfs/dbraw/zinc/93/45/71/839934571.db2.gz VYPICVRAKJMDGF-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCCO1 ZINC001144085179 839934575 /nfs/dbraw/zinc/93/45/75/839934575.db2.gz VYPICVRAKJMDGF-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc[nH+]1 ZINC001093259422 841185477 /nfs/dbraw/zinc/18/54/77/841185477.db2.gz VAZOUZOSDRBEIP-VIKVFOODSA-N 1 2 282.347 0.749 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001093512095 841299531 /nfs/dbraw/zinc/29/95/31/841299531.db2.gz KFOYBPPLKXBKOF-UHFFFAOYSA-N 1 2 290.367 0.901 20 30 CCEDLO COCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001093515119 841300534 /nfs/dbraw/zinc/30/05/34/841300534.db2.gz NRSXTZKEXKFBGF-GFCCVEGCSA-N 1 2 295.383 0.484 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1nc(C)cc(C#N)n1 ZINC001093776606 841468096 /nfs/dbraw/zinc/46/80/96/841468096.db2.gz KEADBTSQQQIMLX-UHFFFAOYSA-N 1 2 299.338 0.459 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1ccnc(C#N)n1)n1cc[nH+]c1 ZINC001094167600 841551294 /nfs/dbraw/zinc/55/12/94/841551294.db2.gz IUCRGBZVDLWGRR-NSHDSACASA-N 1 2 299.338 0.146 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccnc3)nn2)C1 ZINC001094265749 841573655 /nfs/dbraw/zinc/57/36/55/841573655.db2.gz BKWHVXSOCSHULC-UHFFFAOYSA-N 1 2 298.350 0.646 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3CC3)nn2)C1 ZINC001094266529 841575071 /nfs/dbraw/zinc/57/50/71/841575071.db2.gz XHXSRLUYMZINHP-UHFFFAOYSA-N 1 2 275.356 0.737 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C)nn2)C1 ZINC001094270879 841577621 /nfs/dbraw/zinc/57/76/21/841577621.db2.gz IZVCTQDCKVJDIR-FZMZJTMJSA-N 1 2 287.367 0.430 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)C3CC3)CC2=O)C1 ZINC001094723258 841713318 /nfs/dbraw/zinc/71/33/18/841713318.db2.gz GKPQFCOMXSTZOE-WCQYABFASA-N 1 2 291.395 0.620 20 30 CCEDLO C=CCOC1CCC([NH2+][C@H](CC(N)=O)C(=O)OC)CC1 ZINC001173317040 842050888 /nfs/dbraw/zinc/05/08/88/842050888.db2.gz ROCDTCNHZMCGFF-HTAVTVPLSA-N 1 2 284.356 0.507 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192955 842322984 /nfs/dbraw/zinc/32/29/84/842322984.db2.gz KOCNOVQSYMMWLS-RDBSUJKOSA-N 1 2 287.367 0.908 20 30 CCEDLO CCCCN(CC#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176354745 842363550 /nfs/dbraw/zinc/36/35/50/842363550.db2.gz OTCXDLQBTYRCEW-CYBMUJFWSA-N 1 2 291.355 0.609 20 30 CCEDLO CCCCN(CC#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176354745 842363561 /nfs/dbraw/zinc/36/35/61/842363561.db2.gz OTCXDLQBTYRCEW-CYBMUJFWSA-N 1 2 291.355 0.609 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176832137 842419067 /nfs/dbraw/zinc/41/90/67/842419067.db2.gz JYBWYEWIZXHQAT-LLVKDONJSA-N 1 2 292.339 0.855 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176990092 842479026 /nfs/dbraw/zinc/47/90/26/842479026.db2.gz ZALFDGIVTUWYLW-ZIAGYGMSSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176990092 842479033 /nfs/dbraw/zinc/47/90/33/842479033.db2.gz ZALFDGIVTUWYLW-ZIAGYGMSSA-N 1 2 280.368 0.084 20 30 CCEDLO C=CC[C@@](C)(NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC001178000509 842722795 /nfs/dbraw/zinc/72/27/95/842722795.db2.gz RLKMUITYZOEGOL-CYBMUJFWSA-N 1 2 265.313 0.966 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119802 842763440 /nfs/dbraw/zinc/76/34/40/842763440.db2.gz WNZXPDRWXFFBBX-VHSXEESVSA-N 1 2 276.296 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224896 842931763 /nfs/dbraw/zinc/93/17/63/842931763.db2.gz WOYFHOXVQYBXDY-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224896 842931766 /nfs/dbraw/zinc/93/17/66/842931766.db2.gz WOYFHOXVQYBXDY-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO CC#CC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001179752192 843047416 /nfs/dbraw/zinc/04/74/16/843047416.db2.gz SGVSYCPKRSGYON-UHFFFAOYSA-N 1 2 259.309 0.762 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nn(C)cc2O)CC1 ZINC001179920336 843088535 /nfs/dbraw/zinc/08/85/35/843088535.db2.gz HGLDJXJQNJDQRG-LLVKDONJSA-N 1 2 290.367 0.648 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2=NN(C)CC2=O)CC1 ZINC001179920336 843088548 /nfs/dbraw/zinc/08/85/48/843088548.db2.gz HGLDJXJQNJDQRG-LLVKDONJSA-N 1 2 290.367 0.648 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCOCOC)C2)OCC1=O ZINC001273467982 843311921 /nfs/dbraw/zinc/31/19/21/843311921.db2.gz RILMWKQVEPPIJH-UHFFFAOYSA-N 1 2 284.356 0.096 20 30 CCEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001181992894 843666894 /nfs/dbraw/zinc/66/68/94/843666894.db2.gz DROVTLMOSBWRSV-SSDOTTSWSA-N 1 2 282.304 0.069 20 30 CCEDLO CC[N@H+]1CCCC[C@@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001181992894 843666895 /nfs/dbraw/zinc/66/68/95/843666895.db2.gz DROVTLMOSBWRSV-SSDOTTSWSA-N 1 2 282.304 0.069 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182869308 843931239 /nfs/dbraw/zinc/93/12/39/843931239.db2.gz LXCSXFUWVOADOS-UWVGGRQHSA-N 1 2 253.302 0.041 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182869308 843931245 /nfs/dbraw/zinc/93/12/45/843931245.db2.gz LXCSXFUWVOADOS-UWVGGRQHSA-N 1 2 253.302 0.041 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 ZINC001183271084 843998428 /nfs/dbraw/zinc/99/84/28/843998428.db2.gz CETMYSIAQHHDHS-IAQYHMDHSA-N 1 2 289.383 0.858 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cnoc1C ZINC001187409205 844719248 /nfs/dbraw/zinc/71/92/48/844719248.db2.gz IMPZTHWYBNOUNK-NSHDSACASA-N 1 2 285.369 0.912 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnoc1C ZINC001187409205 844719252 /nfs/dbraw/zinc/71/92/52/844719252.db2.gz IMPZTHWYBNOUNK-NSHDSACASA-N 1 2 285.369 0.912 20 30 CCEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001273543333 844737732 /nfs/dbraw/zinc/73/77/32/844737732.db2.gz XXAJQORXLWYQDH-UONOGXRCSA-N 1 2 284.306 0.373 20 30 CCEDLO C#CCCC[N@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001273543333 844737735 /nfs/dbraw/zinc/73/77/35/844737735.db2.gz XXAJQORXLWYQDH-UONOGXRCSA-N 1 2 284.306 0.373 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001188301473 844871804 /nfs/dbraw/zinc/87/18/04/844871804.db2.gz FCKVTXJSSFGXRS-GHMZBOCLSA-N 1 2 296.396 0.820 20 30 CCEDLO N#Cc1cccc(C(=O)NCC[NH+]2CC3(COC3)C2)c1F ZINC001190554661 845425932 /nfs/dbraw/zinc/42/59/32/845425932.db2.gz KJWGDCLZOCEVDU-UHFFFAOYSA-N 1 2 289.310 0.759 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)c3cc(C#N)ccc3F)C2)C1 ZINC001190648278 845455816 /nfs/dbraw/zinc/45/58/16/845455816.db2.gz KNIFEOPNAFZXHH-UHFFFAOYSA-N 1 2 295.339 0.633 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001191724935 845717433 /nfs/dbraw/zinc/71/74/33/845717433.db2.gz XOBORIMOIPNHOY-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001191724935 845717441 /nfs/dbraw/zinc/71/74/41/845717441.db2.gz XOBORIMOIPNHOY-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001191770715 845724628 /nfs/dbraw/zinc/72/46/28/845724628.db2.gz IGZZKTIRWQUBQQ-QJPTWQEYSA-N 1 2 274.336 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001191770715 845724634 /nfs/dbraw/zinc/72/46/34/845724634.db2.gz IGZZKTIRWQUBQQ-QJPTWQEYSA-N 1 2 274.336 0.098 20 30 CCEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)[C@@H](C)C#N)n2c1 ZINC001193160493 846009706 /nfs/dbraw/zinc/00/97/06/846009706.db2.gz DKYJNAZBNIYAJN-JTQLQIEISA-N 1 2 278.337 0.974 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)SC)CO2 ZINC001273674893 846277655 /nfs/dbraw/zinc/27/76/55/846277655.db2.gz AOKVILYRYYHIOZ-NWDGAFQWSA-N 1 2 282.409 0.721 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001194639302 846335199 /nfs/dbraw/zinc/33/51/99/846335199.db2.gz MRXLLIHCCQVRKM-UHFFFAOYSA-N 1 2 287.363 0.879 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001194639302 846335204 /nfs/dbraw/zinc/33/52/04/846335204.db2.gz MRXLLIHCCQVRKM-UHFFFAOYSA-N 1 2 287.363 0.879 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001195278420 846491147 /nfs/dbraw/zinc/49/11/47/846491147.db2.gz UJJNXTLHRNATOH-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001195278420 846491151 /nfs/dbraw/zinc/49/11/51/846491151.db2.gz UJJNXTLHRNATOH-GRYCIOLGSA-N 1 2 297.399 0.014 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315121 846504471 /nfs/dbraw/zinc/50/44/71/846504471.db2.gz YWFIZAAELJOENU-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195315121 846504481 /nfs/dbraw/zinc/50/44/81/846504481.db2.gz YWFIZAAELJOENU-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001195445479 846532283 /nfs/dbraw/zinc/53/22/83/846532283.db2.gz ZHTQHCXHLGPIQX-BFHYXJOUSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001195445479 846532288 /nfs/dbraw/zinc/53/22/88/846532288.db2.gz ZHTQHCXHLGPIQX-BFHYXJOUSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001195524390 846565843 /nfs/dbraw/zinc/56/58/43/846565843.db2.gz IJJAGGSFEHJTNS-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001195524390 846565851 /nfs/dbraw/zinc/56/58/51/846565851.db2.gz IJJAGGSFEHJTNS-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](F)C(C)C)CO2 ZINC001273713023 846681337 /nfs/dbraw/zinc/68/13/37/846681337.db2.gz MNCLYOZGFKJTQQ-STQMWFEESA-N 1 2 282.359 0.963 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273714276 846695762 /nfs/dbraw/zinc/69/57/62/846695762.db2.gz XQAMPBVMRBLSRU-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001196519388 846757556 /nfs/dbraw/zinc/75/75/56/846757556.db2.gz MNSVXYDWQSLTDU-MGPQQGTHSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001196519388 846757563 /nfs/dbraw/zinc/75/75/63/846757563.db2.gz MNSVXYDWQSLTDU-MGPQQGTHSA-N 1 2 266.385 0.853 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ncccc2C#N)CC1 ZINC001196551963 846775019 /nfs/dbraw/zinc/77/50/19/846775019.db2.gz PZENPHSFUQSCEP-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196783465 846798761 /nfs/dbraw/zinc/79/87/61/846798761.db2.gz ZLHOEVNNQBGMLO-QWHCGFSZSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196783465 846798768 /nfs/dbraw/zinc/79/87/68/846798768.db2.gz ZLHOEVNNQBGMLO-QWHCGFSZSA-N 1 2 299.390 0.960 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197149770 846857360 /nfs/dbraw/zinc/85/73/60/846857360.db2.gz QHGYBLZIIPEOTH-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197149770 846857363 /nfs/dbraw/zinc/85/73/63/846857363.db2.gz QHGYBLZIIPEOTH-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001197354500 846895917 /nfs/dbraw/zinc/89/59/17/846895917.db2.gz VVQHWQCELARIJX-CQSZACIVSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197354500 846895922 /nfs/dbraw/zinc/89/59/22/846895922.db2.gz VVQHWQCELARIJX-CQSZACIVSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001198158044 847055410 /nfs/dbraw/zinc/05/54/10/847055410.db2.gz XQEBOMXROPYSMX-QWRGUYRKSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001198158044 847055417 /nfs/dbraw/zinc/05/54/17/847055417.db2.gz XQEBOMXROPYSMX-QWRGUYRKSA-N 1 2 254.330 0.514 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)[nH]1 ZINC001199682795 847400477 /nfs/dbraw/zinc/40/04/77/847400477.db2.gz KGZDIQXUXMCIDG-UHFFFAOYSA-N 1 2 274.324 0.481 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)o1 ZINC001200400413 847617495 /nfs/dbraw/zinc/61/74/95/847617495.db2.gz JOVOKBLYLJZARW-OUKQBFOZSA-N 1 2 276.296 0.599 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+]([C@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907527 847815357 /nfs/dbraw/zinc/81/53/57/847815357.db2.gz NCQAXHAIOLOJGQ-IUODEOHRSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+]([C@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907527 847815360 /nfs/dbraw/zinc/81/53/60/847815360.db2.gz NCQAXHAIOLOJGQ-IUODEOHRSA-N 1 2 296.367 0.427 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273990995 848212178 /nfs/dbraw/zinc/21/21/78/848212178.db2.gz UKDJUEHETOPOBS-OAHLLOKOSA-N 1 2 280.368 0.697 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273990995 848212186 /nfs/dbraw/zinc/21/21/86/848212186.db2.gz UKDJUEHETOPOBS-OAHLLOKOSA-N 1 2 280.368 0.697 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1csnn1 ZINC001273991155 848213800 /nfs/dbraw/zinc/21/38/00/848213800.db2.gz OEUVTKDVDLVCQT-IHVVCDCBSA-N 1 2 296.396 0.627 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095373564 848271831 /nfs/dbraw/zinc/27/18/31/848271831.db2.gz CLANWQSJSYEHHR-YTWAJWBKSA-N 1 2 299.758 0.569 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095373564 848271839 /nfs/dbraw/zinc/27/18/39/848271839.db2.gz CLANWQSJSYEHHR-YTWAJWBKSA-N 1 2 299.758 0.569 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCCCOC)CC2)C1 ZINC001274467407 848483263 /nfs/dbraw/zinc/48/32/63/848483263.db2.gz AYXZGLPTANILNT-UHFFFAOYSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC001275819197 848833995 /nfs/dbraw/zinc/83/39/95/848833995.db2.gz NHFLGRKEOSEYJP-GFCCVEGCSA-N 1 2 277.372 0.555 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001275819197 848833999 /nfs/dbraw/zinc/83/39/99/848833999.db2.gz NHFLGRKEOSEYJP-GFCCVEGCSA-N 1 2 277.372 0.555 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001275865486 848849845 /nfs/dbraw/zinc/84/98/45/848849845.db2.gz KWWWXMWBCVRKDL-LLVKDONJSA-N 1 2 274.368 0.972 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001275865486 848849848 /nfs/dbraw/zinc/84/98/48/848849848.db2.gz KWWWXMWBCVRKDL-LLVKDONJSA-N 1 2 274.368 0.972 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000957290082 849370619 /nfs/dbraw/zinc/37/06/19/849370619.db2.gz MOGBSTXTOMMTME-LBPRGKRZSA-N 1 2 265.357 0.374 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NCC#N ZINC001037937458 849609772 /nfs/dbraw/zinc/60/97/72/849609772.db2.gz ZXBIRLBCHGRRHG-YPMHNXCESA-N 1 2 275.356 0.692 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001038636673 849759670 /nfs/dbraw/zinc/75/96/70/849759670.db2.gz UYFCSVWWSUUPNK-NSHDSACASA-N 1 2 289.335 0.135 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001038636673 849759678 /nfs/dbraw/zinc/75/96/78/849759678.db2.gz UYFCSVWWSUUPNK-NSHDSACASA-N 1 2 289.335 0.135 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038169512 849806537 /nfs/dbraw/zinc/80/65/37/849806537.db2.gz IODKOZBTJOGALM-OLZOCXBDSA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038169512 849806548 /nfs/dbraw/zinc/80/65/48/849806548.db2.gz IODKOZBTJOGALM-OLZOCXBDSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001038256882 849832044 /nfs/dbraw/zinc/83/20/44/849832044.db2.gz UXKLUCBCRHBMNQ-CYBMUJFWSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001038256882 849832050 /nfs/dbraw/zinc/83/20/50/849832050.db2.gz UXKLUCBCRHBMNQ-CYBMUJFWSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038299101 849842295 /nfs/dbraw/zinc/84/22/95/849842295.db2.gz GSIWBDQZSBTBPW-LLVKDONJSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038299101 849842303 /nfs/dbraw/zinc/84/23/03/849842303.db2.gz GSIWBDQZSBTBPW-LLVKDONJSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ncccc12 ZINC001038348611 849860582 /nfs/dbraw/zinc/86/05/82/849860582.db2.gz FVVULJWPDXCAFE-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ncccc12 ZINC001038348611 849860594 /nfs/dbraw/zinc/86/05/94/849860594.db2.gz FVVULJWPDXCAFE-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038501053 849922972 /nfs/dbraw/zinc/92/29/72/849922972.db2.gz QMKSVYLTSSQPPW-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038501053 849922975 /nfs/dbraw/zinc/92/29/75/849922975.db2.gz QMKSVYLTSSQPPW-LLVKDONJSA-N 1 2 274.324 0.103 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038734131 850000068 /nfs/dbraw/zinc/00/00/68/850000068.db2.gz FACFSNNZQWKQCN-NSHDSACASA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038734131 850000073 /nfs/dbraw/zinc/00/00/73/850000073.db2.gz FACFSNNZQWKQCN-NSHDSACASA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038857443 850052429 /nfs/dbraw/zinc/05/24/29/850052429.db2.gz XVKQVSGAAKEOHG-LBPRGKRZSA-N 1 2 275.356 0.605 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038857443 850052433 /nfs/dbraw/zinc/05/24/33/850052433.db2.gz XVKQVSGAAKEOHG-LBPRGKRZSA-N 1 2 275.356 0.605 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001038867763 850057428 /nfs/dbraw/zinc/05/74/28/850057428.db2.gz AYIYCZDKLREBSD-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001038867763 850057436 /nfs/dbraw/zinc/05/74/36/850057436.db2.gz AYIYCZDKLREBSD-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902411 850076999 /nfs/dbraw/zinc/07/69/99/850076999.db2.gz NISFNRLSCKLHHL-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902411 850077008 /nfs/dbraw/zinc/07/70/08/850077008.db2.gz NISFNRLSCKLHHL-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038970904 850105605 /nfs/dbraw/zinc/10/56/05/850105605.db2.gz MQRQWKVADGVQSW-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038970904 850105612 /nfs/dbraw/zinc/10/56/12/850105612.db2.gz MQRQWKVADGVQSW-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039090392 850155736 /nfs/dbraw/zinc/15/57/36/850155736.db2.gz ZGVPLVWENLNIFK-SNVBAGLBSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039090392 850155740 /nfs/dbraw/zinc/15/57/40/850155740.db2.gz ZGVPLVWENLNIFK-SNVBAGLBSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnns3)C[C@@H]21 ZINC001041959489 850542109 /nfs/dbraw/zinc/54/21/09/850542109.db2.gz ZYARKFIZHVVRMT-QWRGUYRKSA-N 1 2 276.365 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnns3)C[C@@H]21 ZINC001041959489 850542111 /nfs/dbraw/zinc/54/21/11/850542111.db2.gz ZYARKFIZHVVRMT-QWRGUYRKSA-N 1 2 276.365 0.708 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042031913 850562368 /nfs/dbraw/zinc/56/23/68/850562368.db2.gz CYGMLECYRXEORR-QWHCGFSZSA-N 1 2 287.367 0.789 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001042742007 850750377 /nfs/dbraw/zinc/75/03/77/850750377.db2.gz ZOFIPSBPXNMLGI-OLZOCXBDSA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCO3)C1 ZINC001042935196 850784394 /nfs/dbraw/zinc/78/43/94/850784394.db2.gz RVLBPUPOMWKDAL-UHFFFAOYSA-N 1 2 276.340 0.608 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001042942529 850785776 /nfs/dbraw/zinc/78/57/76/850785776.db2.gz TVDLWTUVQAIQOB-UHFFFAOYSA-N 1 2 295.346 0.804 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001043002365 850795508 /nfs/dbraw/zinc/79/55/08/850795508.db2.gz IQPXFDNPDACIKJ-UHFFFAOYSA-N 1 2 262.313 0.515 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001043066572 850807996 /nfs/dbraw/zinc/80/79/96/850807996.db2.gz DBSKNPXERVSBIH-TZMCWYRMSA-N 1 2 281.400 0.424 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cnc3ccccn3c2=O)C1 ZINC001043116337 850816985 /nfs/dbraw/zinc/81/69/85/850816985.db2.gz SAHNGVHLIUCRDL-UHFFFAOYSA-N 1 2 298.346 0.637 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC001043135304 850820621 /nfs/dbraw/zinc/82/06/21/850820621.db2.gz FSEQXZGUOLRICU-LLVKDONJSA-N 1 2 273.340 0.112 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3c2OCCC3)C1 ZINC001043225140 850836635 /nfs/dbraw/zinc/83/66/35/850836635.db2.gz ZWDFPLXZZNTDIQ-UHFFFAOYSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001043391033 850866496 /nfs/dbraw/zinc/86/64/96/850866496.db2.gz AKCCJDRYJRNRTI-YPMHNXCESA-N 1 2 250.342 0.577 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001043435789 850872794 /nfs/dbraw/zinc/87/27/94/850872794.db2.gz QWXKYKPNWRYORR-CQSZACIVSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2coc(C(N)=O)c2)C1 ZINC001043452207 850874698 /nfs/dbraw/zinc/87/46/98/850874698.db2.gz DAUSNRDRYKEQIF-UHFFFAOYSA-N 1 2 277.324 0.711 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001043506381 850885689 /nfs/dbraw/zinc/88/56/89/850885689.db2.gz XTEOJWVEMPIMLO-UHFFFAOYSA-N 1 2 287.363 0.657 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3cccnn32)C1 ZINC001044020514 850987004 /nfs/dbraw/zinc/98/70/04/850987004.db2.gz WFSSLXOMLVMUKJ-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001044103632 851012953 /nfs/dbraw/zinc/01/29/53/851012953.db2.gz VLRDWBNYZDBECB-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001044240797 851050726 /nfs/dbraw/zinc/05/07/26/851050726.db2.gz SCZJABKRVKXKQV-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC001046018996 851354125 /nfs/dbraw/zinc/35/41/25/851354125.db2.gz GDWINTXEBRKXCW-HNNXBMFYSA-N 1 2 288.395 0.839 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001046275873 851449074 /nfs/dbraw/zinc/44/90/74/851449074.db2.gz YUVMLZDKVNCBJQ-CYBMUJFWSA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)o2)C1 ZINC001046275873 851449078 /nfs/dbraw/zinc/44/90/78/851449078.db2.gz YUVMLZDKVNCBJQ-CYBMUJFWSA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046360259 851474980 /nfs/dbraw/zinc/47/49/80/851474980.db2.gz QFPCIQFRMICELZ-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046360259 851474984 /nfs/dbraw/zinc/47/49/84/851474984.db2.gz QFPCIQFRMICELZ-FZMZJTMJSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2)C1 ZINC001047292469 851700787 /nfs/dbraw/zinc/70/07/87/851700787.db2.gz KBJMLSKEWRNPFM-RYUDHWBXSA-N 1 2 264.350 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2)C1 ZINC001047292469 851700791 /nfs/dbraw/zinc/70/07/91/851700791.db2.gz KBJMLSKEWRNPFM-RYUDHWBXSA-N 1 2 264.350 0.498 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)OC)C1 ZINC001482184700 893474093 /nfs/dbraw/zinc/47/40/93/893474093.db2.gz NGMBKYJWOZDNLU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)OC)C1 ZINC001482184700 893474139 /nfs/dbraw/zinc/47/41/39/893474139.db2.gz NGMBKYJWOZDNLU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001047496640 851786872 /nfs/dbraw/zinc/78/68/72/851786872.db2.gz ISCDRQPOBFUYBQ-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001047496640 851786875 /nfs/dbraw/zinc/78/68/75/851786875.db2.gz ISCDRQPOBFUYBQ-RYUDHWBXSA-N 1 2 262.309 0.338 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096962899 852473974 /nfs/dbraw/zinc/47/39/74/852473974.db2.gz WWSCEJMZEZIVCS-YPMHNXCESA-N 1 2 288.351 0.836 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052971332 852677942 /nfs/dbraw/zinc/67/79/42/852677942.db2.gz KSXQKTUAMKZTLR-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 ZINC001053242888 852717402 /nfs/dbraw/zinc/71/74/02/852717402.db2.gz RPIHWLOIZKALIA-CYBMUJFWSA-N 1 2 282.384 0.493 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1=COCCO1)O2 ZINC001053562745 852760750 /nfs/dbraw/zinc/76/07/50/852760750.db2.gz GOZWIFSIYWNJIA-LBPRGKRZSA-N 1 2 294.351 0.410 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)n[nH]1)O2 ZINC001053577786 852763249 /nfs/dbraw/zinc/76/32/49/852763249.db2.gz RCFBUQDOZKPXGI-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cocn1)O2 ZINC001053576639 852764072 /nfs/dbraw/zinc/76/40/72/852764072.db2.gz UVAJDOVUFNCIAQ-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCOC1)O2 ZINC001053581629 852765840 /nfs/dbraw/zinc/76/58/40/852765840.db2.gz SEIUCUJFNPWOLP-KBPBESRZSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1=COCCO1)CO2 ZINC001053724420 852789717 /nfs/dbraw/zinc/78/97/17/852789717.db2.gz JKDJYWJKDLSQOH-GFCCVEGCSA-N 1 2 294.351 0.410 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCO1)CO2 ZINC001053729924 852793035 /nfs/dbraw/zinc/79/30/35/852793035.db2.gz VVKDAZRDGZDJHI-CHWSQXEVSA-N 1 2 280.368 0.701 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCOC1)CO2 ZINC001053761669 852810002 /nfs/dbraw/zinc/81/00/02/852810002.db2.gz GWIHBXMDASVUQM-ZIAGYGMSSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCOC1)CO2 ZINC001053761668 852810626 /nfs/dbraw/zinc/81/06/26/852810626.db2.gz GWIHBXMDASVUQM-UONOGXRCSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1C)CO2 ZINC001053769131 852813734 /nfs/dbraw/zinc/81/37/34/852813734.db2.gz RIFMBNPCGPTECL-ZDUSSCGKSA-N 1 2 287.363 0.920 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC1(F)F)CO2 ZINC001053796488 852824887 /nfs/dbraw/zinc/82/48/87/852824887.db2.gz JFFSZRDNEGSGMT-MNOVXSKESA-N 1 2 284.306 0.624 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)o1 ZINC001054638912 852986314 /nfs/dbraw/zinc/98/63/14/852986314.db2.gz REAOHGCRMVMKLW-GWCFXTLKSA-N 1 2 288.351 0.728 20 30 CCEDLO N#Cc1cnccc1N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001056035184 853137863 /nfs/dbraw/zinc/13/78/63/853137863.db2.gz FWMLEFMDFSBNNQ-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050871648 853469452 /nfs/dbraw/zinc/46/94/52/853469452.db2.gz GIZYWUUFVKKAIS-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050871648 853469461 /nfs/dbraw/zinc/46/94/61/853469461.db2.gz GIZYWUUFVKKAIS-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)c[nH]1 ZINC001050879420 853472251 /nfs/dbraw/zinc/47/22/51/853472251.db2.gz AIEVMDWMSFVNMD-CQSZACIVSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)c[nH]1 ZINC001050879420 853472259 /nfs/dbraw/zinc/47/22/59/853472259.db2.gz AIEVMDWMSFVNMD-CQSZACIVSA-N 1 2 288.351 0.727 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051118930 853526521 /nfs/dbraw/zinc/52/65/21/853526521.db2.gz WJCNBMYHVLSGSD-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051118930 853526526 /nfs/dbraw/zinc/52/65/26/853526526.db2.gz WJCNBMYHVLSGSD-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051964783 853666367 /nfs/dbraw/zinc/66/63/67/853666367.db2.gz NTRYCKWSGJZZEG-OAHLLOKOSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051982093 853669233 /nfs/dbraw/zinc/66/92/33/853669233.db2.gz XOUJUJQPSFHGSB-ZDUSSCGKSA-N 1 2 281.425 0.201 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051982093 853669239 /nfs/dbraw/zinc/66/92/39/853669239.db2.gz XOUJUJQPSFHGSB-ZDUSSCGKSA-N 1 2 281.425 0.201 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001052013899 853675365 /nfs/dbraw/zinc/67/53/65/853675365.db2.gz AYTXGFOHSAXISR-LSDHHAIUSA-N 1 2 289.423 0.884 20 30 CCEDLO N#Cc1cncc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058424832 853844853 /nfs/dbraw/zinc/84/48/53/853844853.db2.gz LCDFNDJKXOBYIG-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001069888866 853995055 /nfs/dbraw/zinc/99/50/55/853995055.db2.gz VCJXWPWIHANPQU-ZJUUUORDSA-N 1 2 285.298 0.461 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001069888866 853995063 /nfs/dbraw/zinc/99/50/63/853995063.db2.gz VCJXWPWIHANPQU-ZJUUUORDSA-N 1 2 285.298 0.461 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069907395 853998230 /nfs/dbraw/zinc/99/82/30/853998230.db2.gz WDWNUVVYYBQHNA-SEBNEYGDSA-N 1 2 299.378 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069907395 853998236 /nfs/dbraw/zinc/99/82/36/853998236.db2.gz WDWNUVVYYBQHNA-SEBNEYGDSA-N 1 2 299.378 0.299 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070048571 854019965 /nfs/dbraw/zinc/01/99/65/854019965.db2.gz YFAKQHGHLOPFTI-YJNKXOJESA-N 1 2 299.378 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070048571 854019973 /nfs/dbraw/zinc/01/99/73/854019973.db2.gz YFAKQHGHLOPFTI-YJNKXOJESA-N 1 2 299.378 0.299 20 30 CCEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(C)=O)C2)C(=O)C1 ZINC001071248946 854141624 /nfs/dbraw/zinc/14/16/24/854141624.db2.gz WHGWIWOGYQUFDI-AWEZNQCLSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(C)=O)C2)C(=O)C1 ZINC001071248946 854141626 /nfs/dbraw/zinc/14/16/26/854141626.db2.gz WHGWIWOGYQUFDI-AWEZNQCLSA-N 1 2 277.368 0.165 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1CC#N ZINC001071847089 854307834 /nfs/dbraw/zinc/30/78/34/854307834.db2.gz HUWYRBWFHYNCDP-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072552199 854414884 /nfs/dbraw/zinc/41/48/84/854414884.db2.gz NFVDDXFVJSWEAQ-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072552199 854414886 /nfs/dbraw/zinc/41/48/86/854414886.db2.gz NFVDDXFVJSWEAQ-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001074211703 854696955 /nfs/dbraw/zinc/69/69/55/854696955.db2.gz CXZIABOYRSLXDW-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001074211703 854696959 /nfs/dbraw/zinc/69/69/59/854696959.db2.gz CXZIABOYRSLXDW-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001074867843 854793143 /nfs/dbraw/zinc/79/31/43/854793143.db2.gz JZGTYCDPMJJVDV-TUAOUCFPSA-N 1 2 287.367 0.932 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098591449 854871431 /nfs/dbraw/zinc/87/14/31/854871431.db2.gz HCDSMOKFVMQLMH-JTQLQIEISA-N 1 2 283.282 0.039 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc[nH]3)C2)nn1 ZINC001098611841 854873894 /nfs/dbraw/zinc/87/38/94/854873894.db2.gz SPMIWGKADLHZTQ-ZDUSSCGKSA-N 1 2 298.350 0.416 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCCC)[C@@H](O)C1 ZINC001099731655 854979133 /nfs/dbraw/zinc/97/91/33/854979133.db2.gz AOUZOHIVNZRJHK-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCCC)[C@@H](O)C1 ZINC001099731655 854979136 /nfs/dbraw/zinc/97/91/36/854979136.db2.gz AOUZOHIVNZRJHK-NEPJUHHUSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101586382 855321989 /nfs/dbraw/zinc/32/19/89/855321989.db2.gz XVVPLXZMHTXEDW-CQSZACIVSA-N 1 2 278.356 0.982 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)COC)c1nccn12 ZINC001101602323 855325268 /nfs/dbraw/zinc/32/52/68/855325268.db2.gz CQKIWPLSGWBAGO-NSHDSACASA-N 1 2 276.340 0.287 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1cnc(C#N)cn1 ZINC001104052983 855564416 /nfs/dbraw/zinc/56/44/16/855564416.db2.gz NXYQLJVUTWXJLD-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC001116771581 855830803 /nfs/dbraw/zinc/83/08/03/855830803.db2.gz ZIJQQFPJUZBVLC-NSHDSACASA-N 1 2 281.356 0.594 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC001117999808 856132436 /nfs/dbraw/zinc/13/24/36/856132436.db2.gz GCBCBLCUWPBWKT-AWEZNQCLSA-N 1 2 292.379 0.289 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC001117999808 856132440 /nfs/dbraw/zinc/13/24/40/856132440.db2.gz GCBCBLCUWPBWKT-AWEZNQCLSA-N 1 2 292.379 0.289 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001118279550 856240268 /nfs/dbraw/zinc/24/02/68/856240268.db2.gz KHTVAULRKJCSLC-CYBMUJFWSA-N 1 2 262.313 0.540 20 30 CCEDLO C=C[C@H](COC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001119339973 856641491 /nfs/dbraw/zinc/64/14/91/856641491.db2.gz HTXSOJWDTKOZPG-SNVBAGLBSA-N 1 2 259.331 0.004 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC001119693975 856841450 /nfs/dbraw/zinc/84/14/50/856841450.db2.gz XFJDFEVXBCPBNR-NSHDSACASA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC001119693975 856841455 /nfs/dbraw/zinc/84/14/55/856841455.db2.gz XFJDFEVXBCPBNR-NSHDSACASA-N 1 2 281.356 0.594 20 30 CCEDLO COCC#CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001119710104 856849029 /nfs/dbraw/zinc/84/90/29/856849029.db2.gz QEDXHSKAPUNMPD-UHFFFAOYSA-N 1 2 267.354 0.471 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001120411810 857059103 /nfs/dbraw/zinc/05/91/03/857059103.db2.gz COEDLRZFQNCNBH-ZDUSSCGKSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CCCCC1 ZINC001323340902 912279544 /nfs/dbraw/zinc/27/95/44/912279544.db2.gz RTNWTGXGNLNIQT-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)C1CCCCC1 ZINC001323340902 912279560 /nfs/dbraw/zinc/27/95/60/912279560.db2.gz RTNWTGXGNLNIQT-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001323372474 912302917 /nfs/dbraw/zinc/30/29/17/912302917.db2.gz XZCPQJFCLZQJTN-HIFRSBDPSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001323372474 912302937 /nfs/dbraw/zinc/30/29/37/912302937.db2.gz XZCPQJFCLZQJTN-HIFRSBDPSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001323922247 912586830 /nfs/dbraw/zinc/58/68/30/912586830.db2.gz VDTDUILHYIREJX-CQSZACIVSA-N 1 2 282.384 0.757 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC001393614952 912682478 /nfs/dbraw/zinc/68/24/78/912682478.db2.gz YOYXDJPVBMIHOC-QWRGUYRKSA-N 1 2 293.375 0.211 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC001393614952 912682483 /nfs/dbraw/zinc/68/24/83/912682483.db2.gz YOYXDJPVBMIHOC-QWRGUYRKSA-N 1 2 293.375 0.211 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001325232450 913290840 /nfs/dbraw/zinc/29/08/40/913290840.db2.gz ITJGPHWOWOMPCC-ZDUSSCGKSA-N 1 2 276.380 0.753 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001395162491 913570603 /nfs/dbraw/zinc/57/06/03/913570603.db2.gz VAEZFQPMOKVXPF-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001395162491 913570621 /nfs/dbraw/zinc/57/06/21/913570621.db2.gz VAEZFQPMOKVXPF-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)CC(=O)NCC#N ZINC001480885680 891568326 /nfs/dbraw/zinc/56/83/26/891568326.db2.gz YIPIOGHKRAEVIF-UPJWGTAASA-N 1 2 292.383 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)CC(=O)NCC#N ZINC001480885680 891568338 /nfs/dbraw/zinc/56/83/38/891568338.db2.gz YIPIOGHKRAEVIF-UPJWGTAASA-N 1 2 292.383 0.110 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481102545 892165016 /nfs/dbraw/zinc/16/50/16/892165016.db2.gz MEUPVOGSGBYZMT-GFCCVEGCSA-N 1 2 261.329 0.235 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001481126037 892198490 /nfs/dbraw/zinc/19/84/90/892198490.db2.gz LYIHLJSPMJAGBV-CYBMUJFWSA-N 1 2 275.356 0.625 20 30 CCEDLO C[C@H](O)CCC[NH+]1CC(NC(=O)CSCC#N)C1 ZINC001481544451 892795046 /nfs/dbraw/zinc/79/50/46/892795046.db2.gz MYPJYHMRJTUTSG-JTQLQIEISA-N 1 2 271.386 0.205 20 30 CCEDLO C=CCCC[NH+]1CC(NC(=O)CCc2nc[nH]n2)C1 ZINC001481552452 892818641 /nfs/dbraw/zinc/81/86/41/892818641.db2.gz QLKJZQIVFFHVPJ-UHFFFAOYSA-N 1 2 263.345 0.504 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001481622947 892922928 /nfs/dbraw/zinc/92/29/28/892922928.db2.gz SHZMSGKIKAFEGQ-OAHLLOKOSA-N 1 2 292.383 0.295 20 30 CCEDLO C[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051765 913719164 /nfs/dbraw/zinc/71/91/64/913719164.db2.gz XHRFUKRNMKKUFL-GHMZBOCLSA-N 1 2 260.359 0.018 20 30 CCEDLO C[C@H](C[N@H+]1CC[C@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051765 913719172 /nfs/dbraw/zinc/71/91/72/913719172.db2.gz XHRFUKRNMKKUFL-GHMZBOCLSA-N 1 2 260.359 0.018 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001481686365 893004386 /nfs/dbraw/zinc/00/43/86/893004386.db2.gz MRGKCQMYOWDVOR-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001481686365 893004407 /nfs/dbraw/zinc/00/44/07/893004407.db2.gz MRGKCQMYOWDVOR-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001481686300 893008469 /nfs/dbraw/zinc/00/84/69/893008469.db2.gz GAGZOSTWFLNVHU-AWEZNQCLSA-N 1 2 290.367 0.678 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001481686300 893008489 /nfs/dbraw/zinc/00/84/89/893008489.db2.gz GAGZOSTWFLNVHU-AWEZNQCLSA-N 1 2 290.367 0.678 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)OCC ZINC001481702239 893044992 /nfs/dbraw/zinc/04/49/92/893044992.db2.gz LQANYCXFBNGIFF-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)OCC ZINC001481702239 893045013 /nfs/dbraw/zinc/04/50/13/893045013.db2.gz LQANYCXFBNGIFF-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC1(CNCC#N)CCCC1 ZINC001481909759 893258125 /nfs/dbraw/zinc/25/81/25/893258125.db2.gz AOQNAYKUUUIRDW-UHFFFAOYSA-N 1 2 275.356 0.505 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC001408940049 893423880 /nfs/dbraw/zinc/42/38/80/893423880.db2.gz HKQZDNNSAOPTBK-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001482203548 893532581 /nfs/dbraw/zinc/53/25/81/893532581.db2.gz WBNYGMGIQMYZLJ-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001482203548 893532591 /nfs/dbraw/zinc/53/25/91/893532591.db2.gz WBNYGMGIQMYZLJ-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCCC1 ZINC001482210730 893561914 /nfs/dbraw/zinc/56/19/14/893561914.db2.gz ZQGBWIGFXVHAAX-CQSZACIVSA-N 1 2 296.411 0.932 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCCC1 ZINC001482210730 893561923 /nfs/dbraw/zinc/56/19/23/893561923.db2.gz ZQGBWIGFXVHAAX-CQSZACIVSA-N 1 2 296.411 0.932 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCc2cn[nH]n2)CC1 ZINC001328412691 915177963 /nfs/dbraw/zinc/17/79/63/915177963.db2.gz LEHSPBUAFXVIFY-UHFFFAOYSA-N 1 2 263.301 0.126 20 30 CCEDLO CC(C)C#CC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001284926895 893768248 /nfs/dbraw/zinc/76/82/48/893768248.db2.gz SVSOCROIXCOZLB-UHFFFAOYSA-N 1 2 288.351 0.260 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2C)CC1 ZINC001355652077 894136074 /nfs/dbraw/zinc/13/60/74/894136074.db2.gz BLQQEOGMXWMSCZ-RYUDHWBXSA-N 1 2 259.357 0.694 20 30 CCEDLO C#CC1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001326248198 913848308 /nfs/dbraw/zinc/84/83/08/913848308.db2.gz HBFGNTYUZJUFTP-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO N#CCNC[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001482698603 894495033 /nfs/dbraw/zinc/49/50/33/894495033.db2.gz LYYFHQLHLHXCHD-VXGBXAGGSA-N 1 2 261.329 0.281 20 30 CCEDLO C=CCCC[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482732300 894533381 /nfs/dbraw/zinc/53/33/81/894533381.db2.gz MBVNWRQUJUDWNM-BDAKNGLRSA-N 1 2 286.269 0.920 20 30 CCEDLO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001482732300 894533385 /nfs/dbraw/zinc/53/33/85/894533385.db2.gz MBVNWRQUJUDWNM-BDAKNGLRSA-N 1 2 286.269 0.920 20 30 CCEDLO N#Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccon2)c[nH]1 ZINC001482998399 894786357 /nfs/dbraw/zinc/78/63/57/894786357.db2.gz ARZZGCRSRCQUJL-OWOJBTEDSA-N 1 2 285.307 0.950 20 30 CCEDLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)C#CC(C)(C)C)n1 ZINC001483008071 894798859 /nfs/dbraw/zinc/79/88/59/894798859.db2.gz RHWMGMQBKNHSNC-AATRIKPKSA-N 1 2 289.383 0.627 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1nocc1C ZINC001483008149 894798878 /nfs/dbraw/zinc/79/88/78/894798878.db2.gz SWQYASSEEXWZJG-URWSZGRFSA-N 1 2 291.351 0.783 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]Cc1nn(C)cc1Cl ZINC001483215924 895122080 /nfs/dbraw/zinc/12/20/80/895122080.db2.gz VKEBPTZSERNCBR-BDAKNGLRSA-N 1 2 283.763 0.827 20 30 CCEDLO COCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001483621331 895699656 /nfs/dbraw/zinc/69/96/56/895699656.db2.gz GNAWFNGQZXSIJM-SNVBAGLBSA-N 1 2 279.365 0.957 20 30 CCEDLO COCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001483621331 895699665 /nfs/dbraw/zinc/69/96/65/895699665.db2.gz GNAWFNGQZXSIJM-SNVBAGLBSA-N 1 2 279.365 0.957 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001483631252 895751745 /nfs/dbraw/zinc/75/17/45/895751745.db2.gz SRWRNUZERMXONX-STQMWFEESA-N 1 2 277.368 0.281 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001483631252 895751759 /nfs/dbraw/zinc/75/17/59/895751759.db2.gz SRWRNUZERMXONX-STQMWFEESA-N 1 2 277.368 0.281 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)COC ZINC001483667221 895821311 /nfs/dbraw/zinc/82/13/11/895821311.db2.gz WKUCUVWUBJIPOK-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)COC ZINC001483667221 895821314 /nfs/dbraw/zinc/82/13/14/895821314.db2.gz WKUCUVWUBJIPOK-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001483673947 895830845 /nfs/dbraw/zinc/83/08/45/895830845.db2.gz VJKZXSSTMJEKMM-AWEZNQCLSA-N 1 2 291.395 0.603 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001483673947 895830861 /nfs/dbraw/zinc/83/08/61/895830861.db2.gz VJKZXSSTMJEKMM-AWEZNQCLSA-N 1 2 291.395 0.603 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001484265551 896296433 /nfs/dbraw/zinc/29/64/33/896296433.db2.gz ZKHJOXRBLFUURA-WFASDCNBSA-N 1 2 299.374 0.996 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001484270541 896308019 /nfs/dbraw/zinc/30/80/19/896308019.db2.gz QBHSTXKVHWDIJK-CYBMUJFWSA-N 1 2 268.357 0.053 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001484271079 896309151 /nfs/dbraw/zinc/30/91/51/896309151.db2.gz DJDLXMSRCPCEDI-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001484592802 896479084 /nfs/dbraw/zinc/47/90/84/896479084.db2.gz SKDMXRYOLWRMKV-ZIAGYGMSSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001484592802 896479088 /nfs/dbraw/zinc/47/90/88/896479088.db2.gz SKDMXRYOLWRMKV-ZIAGYGMSSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001484605160 896494161 /nfs/dbraw/zinc/49/41/61/896494161.db2.gz YQSWQOCZTIEDDH-ZIAGYGMSSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001484605160 896494165 /nfs/dbraw/zinc/49/41/65/896494165.db2.gz YQSWQOCZTIEDDH-ZIAGYGMSSA-N 1 2 297.399 0.294 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCCOC)CC2)C1 ZINC001484942088 896678016 /nfs/dbraw/zinc/67/80/16/896678016.db2.gz OAWGMJIPGHGNJK-UHFFFAOYSA-N 1 2 293.411 0.265 20 30 CCEDLO C[C@@H](NC(=O)c1nc[nH]n1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001485204949 896863771 /nfs/dbraw/zinc/86/37/71/896863771.db2.gz NFSLFQXOEHKANU-GHMZBOCLSA-N 1 2 298.350 0.973 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)nn1C ZINC001485288562 896919235 /nfs/dbraw/zinc/91/92/35/896919235.db2.gz WRLYPFXVSVCRHX-ZYHUDNBSSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)nn1C ZINC001485288562 896919242 /nfs/dbraw/zinc/91/92/42/896919242.db2.gz WRLYPFXVSVCRHX-ZYHUDNBSSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)nn1C ZINC001485288560 896919873 /nfs/dbraw/zinc/91/98/73/896919873.db2.gz WRLYPFXVSVCRHX-JQWIXIFHSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)nn1C ZINC001485288560 896919877 /nfs/dbraw/zinc/91/98/77/896919877.db2.gz WRLYPFXVSVCRHX-JQWIXIFHSA-N 1 2 277.372 0.825 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001485344983 896968528 /nfs/dbraw/zinc/96/85/28/896968528.db2.gz ICOCBRPPCMHYAH-SECBINFHSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001485344983 896968542 /nfs/dbraw/zinc/96/85/42/896968542.db2.gz ICOCBRPPCMHYAH-SECBINFHSA-N 1 2 273.764 0.441 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CCO)C[NH+](Cc2ccccc2)C1 ZINC001485400601 897034940 /nfs/dbraw/zinc/03/49/40/897034940.db2.gz LMKNVGWGKLFXBH-CYBMUJFWSA-N 1 2 287.363 0.899 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001485416286 897045853 /nfs/dbraw/zinc/04/58/53/897045853.db2.gz BNGHXNBAFQQQKF-KGLIPLIRSA-N 1 2 296.411 0.788 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001485499847 897084923 /nfs/dbraw/zinc/08/49/23/897084923.db2.gz UKJZFVBCLXMLAD-NSHDSACASA-N 1 2 277.372 0.718 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001485520731 897103007 /nfs/dbraw/zinc/10/30/07/897103007.db2.gz RAEHGRDYFFNABP-NSHDSACASA-N 1 2 291.399 0.964 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(COC)CC3)C2)C1 ZINC001485556478 897114866 /nfs/dbraw/zinc/11/48/66/897114866.db2.gz MQYJXYLHRKZCCA-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(COC)CC3)C2)C1 ZINC001485556478 897114877 /nfs/dbraw/zinc/11/48/77/897114877.db2.gz MQYJXYLHRKZCCA-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001077721367 897334887 /nfs/dbraw/zinc/33/48/87/897334887.db2.gz YCZMJIQCXKMYLU-VXGBXAGGSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001077721367 897334902 /nfs/dbraw/zinc/33/49/02/897334902.db2.gz YCZMJIQCXKMYLU-VXGBXAGGSA-N 1 2 298.264 0.512 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107923114 897500476 /nfs/dbraw/zinc/50/04/76/897500476.db2.gz BTFDZKUFWXFTLV-DGCLKSJQSA-N 1 2 286.322 0.872 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107923114 897500489 /nfs/dbraw/zinc/50/04/89/897500489.db2.gz BTFDZKUFWXFTLV-DGCLKSJQSA-N 1 2 286.322 0.872 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929376 897509290 /nfs/dbraw/zinc/50/92/90/897509290.db2.gz QWEUEMFZHYQBNJ-CQSZACIVSA-N 1 2 276.340 0.254 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 ZINC001107929376 897509307 /nfs/dbraw/zinc/50/93/07/897509307.db2.gz QWEUEMFZHYQBNJ-CQSZACIVSA-N 1 2 276.340 0.254 20 30 CCEDLO C#CCOCCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940708 897530266 /nfs/dbraw/zinc/53/02/66/897530266.db2.gz WXVLNZZPXPIKQV-MRXNPFEDSA-N 1 2 292.379 0.257 20 30 CCEDLO C#CCOCCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940708 897530271 /nfs/dbraw/zinc/53/02/71/897530271.db2.gz WXVLNZZPXPIKQV-MRXNPFEDSA-N 1 2 292.379 0.257 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001032533883 897712935 /nfs/dbraw/zinc/71/29/35/897712935.db2.gz MCOMRWDVRPEMJD-IGQOVBAYSA-N 1 2 284.363 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001032533883 897712943 /nfs/dbraw/zinc/71/29/43/897712943.db2.gz MCOMRWDVRPEMJD-IGQOVBAYSA-N 1 2 284.363 0.442 20 30 CCEDLO CN(C)[C@H](C(=O)n1ncc(C#N)c1N)c1c[nH+]cn1C ZINC001168599746 897741679 /nfs/dbraw/zinc/74/16/79/897741679.db2.gz WALMDQUCQCNEKF-JTQLQIEISA-N 1 2 273.300 0.014 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC#N ZINC000356045775 897748114 /nfs/dbraw/zinc/74/81/14/897748114.db2.gz AZZPIRVXYNTVPX-LBPRGKRZSA-N 1 2 291.355 0.513 20 30 CCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC#N ZINC000356045775 897748125 /nfs/dbraw/zinc/74/81/25/897748125.db2.gz AZZPIRVXYNTVPX-LBPRGKRZSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c2c1CCCC2 ZINC001032641129 897885680 /nfs/dbraw/zinc/88/56/80/897885680.db2.gz ZEBBFYNHZTYPOJ-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c2c1CCCC2 ZINC001032641129 897885693 /nfs/dbraw/zinc/88/56/93/897885693.db2.gz ZEBBFYNHZTYPOJ-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001078016988 898183527 /nfs/dbraw/zinc/18/35/27/898183527.db2.gz MMNQZIUIISCBDY-HUUCEWRRSA-N 1 2 289.379 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001078016988 898183529 /nfs/dbraw/zinc/18/35/29/898183529.db2.gz MMNQZIUIISCBDY-HUUCEWRRSA-N 1 2 289.379 0.621 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1CC ZINC001032787474 898209433 /nfs/dbraw/zinc/20/94/33/898209433.db2.gz PQGJQJXIIQHGGW-STQMWFEESA-N 1 2 284.363 0.961 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1CC ZINC001032787474 898209447 /nfs/dbraw/zinc/20/94/47/898209447.db2.gz PQGJQJXIIQHGGW-STQMWFEESA-N 1 2 284.363 0.961 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001078067010 898215212 /nfs/dbraw/zinc/21/52/12/898215212.db2.gz WGINTHJLFAENJV-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001078067010 898215226 /nfs/dbraw/zinc/21/52/26/898215226.db2.gz WGINTHJLFAENJV-ZIAGYGMSSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001078115766 898239034 /nfs/dbraw/zinc/23/90/34/898239034.db2.gz UXCLTQWFNLUIBC-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001078115766 898239051 /nfs/dbraw/zinc/23/90/51/898239051.db2.gz UXCLTQWFNLUIBC-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001078128206 898249690 /nfs/dbraw/zinc/24/96/90/898249690.db2.gz ZCFUBCLGLYPLAR-HUUCEWRRSA-N 1 2 284.359 0.513 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001078128206 898249704 /nfs/dbraw/zinc/24/97/04/898249704.db2.gz ZCFUBCLGLYPLAR-HUUCEWRRSA-N 1 2 284.359 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001078144513 898266193 /nfs/dbraw/zinc/26/61/93/898266193.db2.gz SJILLXUFCWZWLS-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001078144513 898266205 /nfs/dbraw/zinc/26/62/05/898266205.db2.gz SJILLXUFCWZWLS-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001078225578 898311982 /nfs/dbraw/zinc/31/19/82/898311982.db2.gz OSIKJCURHOVMSP-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001078225578 898311995 /nfs/dbraw/zinc/31/19/95/898311995.db2.gz OSIKJCURHOVMSP-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nncn2C1 ZINC001032797622 898355654 /nfs/dbraw/zinc/35/56/54/898355654.db2.gz DLINHDJSNQGUPX-IHRRRGAJSA-N 1 2 299.378 0.149 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nncn2C1 ZINC001032797622 898355664 /nfs/dbraw/zinc/35/56/64/898355664.db2.gz DLINHDJSNQGUPX-IHRRRGAJSA-N 1 2 299.378 0.149 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCc1cnn[nH]1 ZINC001485923886 898509536 /nfs/dbraw/zinc/50/95/36/898509536.db2.gz OAHKEIMWVAMBDL-SNVBAGLBSA-N 1 2 285.779 0.926 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001485991185 898580465 /nfs/dbraw/zinc/58/04/65/898580465.db2.gz ONAHQIRKPHFKNM-MFKMUULPSA-N 1 2 299.396 0.037 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001410579953 899480495 /nfs/dbraw/zinc/48/04/95/899480495.db2.gz DVAWEVBTQNUJCU-GAFWVPIUSA-N 1 2 280.155 0.532 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1CC ZINC001489104482 900430363 /nfs/dbraw/zinc/43/03/63/900430363.db2.gz FJQBFCBWSNXQSO-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1CC ZINC001489104482 900430368 /nfs/dbraw/zinc/43/03/68/900430368.db2.gz FJQBFCBWSNXQSO-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001490309461 900598165 /nfs/dbraw/zinc/59/81/65/900598165.db2.gz JUUQOATZIIRCTN-TZMCWYRMSA-N 1 2 289.383 0.845 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001490554815 900665097 /nfs/dbraw/zinc/66/50/97/900665097.db2.gz XHGVWQATARKBFF-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001490554815 900665108 /nfs/dbraw/zinc/66/51/08/900665108.db2.gz XHGVWQATARKBFF-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCCC(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001297172577 901302581 /nfs/dbraw/zinc/30/25/81/901302581.db2.gz HPGNOGNRLMWIAY-UHFFFAOYSA-N 1 2 276.340 0.493 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001327381281 902150981 /nfs/dbraw/zinc/15/09/81/902150981.db2.gz YRNQYVAVJBMNCR-NWDGAFQWSA-N 1 2 261.325 0.129 20 30 CCEDLO N#Cc1cnccc1NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001412880572 902326460 /nfs/dbraw/zinc/32/64/60/902326460.db2.gz NTOBXIQZRYXBTL-AWEZNQCLSA-N 1 2 286.335 0.567 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001331952276 904034195 /nfs/dbraw/zinc/03/41/95/904034195.db2.gz XKUBPRHPXGSCBT-CHWSQXEVSA-N 1 2 268.357 0.859 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280946428 904180493 /nfs/dbraw/zinc/18/04/93/904180493.db2.gz BPBSFRVTAQFCGP-OLZOCXBDSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001281967511 904377050 /nfs/dbraw/zinc/37/70/50/904377050.db2.gz HPRQWQIJQMKMOJ-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001281967511 904377063 /nfs/dbraw/zinc/37/70/63/904377063.db2.gz HPRQWQIJQMKMOJ-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001398733977 914814958 /nfs/dbraw/zinc/81/49/58/914814958.db2.gz JKHUPTSEIWRRBY-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001398733977 914814973 /nfs/dbraw/zinc/81/49/73/914814973.db2.gz JKHUPTSEIWRRBY-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccccn2)C1 ZINC001282506208 904495976 /nfs/dbraw/zinc/49/59/76/904495976.db2.gz VLOHDBBYLMEPRS-UHFFFAOYSA-N 1 2 273.336 0.272 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COCCOC)C1 ZINC001282699818 904523547 /nfs/dbraw/zinc/52/35/47/904523547.db2.gz AWLPEWXQDXWGQU-LLVKDONJSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001377262971 904736836 /nfs/dbraw/zinc/73/68/36/904736836.db2.gz SJZOEGJNDHTTCW-UHFFFAOYSA-N 1 2 284.747 0.194 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001377262971 904736847 /nfs/dbraw/zinc/73/68/47/904736847.db2.gz SJZOEGJNDHTTCW-UHFFFAOYSA-N 1 2 284.747 0.194 20 30 CCEDLO C=CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC001327912162 914855485 /nfs/dbraw/zinc/85/54/85/914855485.db2.gz BPJXAHAKEFWKNF-NSHDSACASA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC001327912162 914855501 /nfs/dbraw/zinc/85/55/01/914855501.db2.gz BPJXAHAKEFWKNF-NSHDSACASA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCCC(=O)NC[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001283924604 905089295 /nfs/dbraw/zinc/08/92/95/905089295.db2.gz OSZWFXPLLNDNSP-ZDUSSCGKSA-N 1 2 290.367 0.860 20 30 CCEDLO C=CCCC(=O)NC[C@H](CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC001285039425 905530472 /nfs/dbraw/zinc/53/04/72/905530472.db2.gz PDZVVKSEOXBSMS-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=CCCC(=O)N[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001285626190 905695567 /nfs/dbraw/zinc/69/55/67/905695567.db2.gz GLWJFWASAPFDNO-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO CC(C)OCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001378657695 905739702 /nfs/dbraw/zinc/73/97/02/905739702.db2.gz ZCHLZVQCRRHIQT-STQMWFEESA-N 1 2 283.372 0.388 20 30 CCEDLO CC(C)OCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001378657695 905739711 /nfs/dbraw/zinc/73/97/11/905739711.db2.gz ZCHLZVQCRRHIQT-STQMWFEESA-N 1 2 283.372 0.388 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001295471321 906744064 /nfs/dbraw/zinc/74/40/64/906744064.db2.gz MFPUUYRHLBBBIJ-LBPRGKRZSA-N 1 2 276.340 0.308 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001337664925 921282495 /nfs/dbraw/zinc/28/24/95/921282495.db2.gz BPNTYVIIPHEOTP-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001337664925 921282498 /nfs/dbraw/zinc/28/24/98/921282498.db2.gz BPNTYVIIPHEOTP-UONOGXRCSA-N 1 2 279.384 0.762 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001381770551 907388994 /nfs/dbraw/zinc/38/89/94/907388994.db2.gz KZDOBWIYQOZDKT-GHMZBOCLSA-N 1 2 275.356 0.516 20 30 CCEDLO CCc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001382052591 907511737 /nfs/dbraw/zinc/51/17/37/907511737.db2.gz ASXNXNHUZLAUCE-VHSXEESVSA-N 1 2 279.344 0.728 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)C ZINC001492187455 907739292 /nfs/dbraw/zinc/73/92/92/907739292.db2.gz JGEUKNQLJBPWBB-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)C ZINC001492187455 907739304 /nfs/dbraw/zinc/73/93/04/907739304.db2.gz JGEUKNQLJBPWBB-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001492399668 907908284 /nfs/dbraw/zinc/90/82/84/907908284.db2.gz LMFSDKRIKJJBPU-OAHLLOKOSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001492399668 907908290 /nfs/dbraw/zinc/90/82/90/907908290.db2.gz LMFSDKRIKJJBPU-OAHLLOKOSA-N 1 2 281.400 0.869 20 30 CCEDLO Cc1cnc(C[NH2+][C@H](C)CNC(=O)CSCC#N)o1 ZINC001317226364 907959920 /nfs/dbraw/zinc/95/99/20/907959920.db2.gz DIGJTFZBLMSIEN-SECBINFHSA-N 1 2 282.369 0.834 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C3CC3)n2)C1 ZINC001303558604 908094107 /nfs/dbraw/zinc/09/41/07/908094107.db2.gz LVEDCMNQFBYDQP-LBPRGKRZSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C3CC3)n2)C1 ZINC001303558604 908094128 /nfs/dbraw/zinc/09/41/28/908094128.db2.gz LVEDCMNQFBYDQP-LBPRGKRZSA-N 1 2 287.367 0.438 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001317443509 908242585 /nfs/dbraw/zinc/24/25/85/908242585.db2.gz QEHQZLNMJXTVAE-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001317443509 908242599 /nfs/dbraw/zinc/24/25/99/908242599.db2.gz QEHQZLNMJXTVAE-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384986108 908329776 /nfs/dbraw/zinc/32/97/76/908329776.db2.gz YDCUNZZCDZGVMB-GARJFASQSA-N 1 2 289.339 0.123 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCCCC#N)n2C)CC1 ZINC001338236597 921404514 /nfs/dbraw/zinc/40/45/14/921404514.db2.gz DTJSTGLKZNXYFE-UHFFFAOYSA-N 1 2 286.383 0.807 20 30 CCEDLO Cc1cc(C)c(NC(=O)NCC(=O)NCC#N)c(C)[nH+]1 ZINC001310834285 908518714 /nfs/dbraw/zinc/51/87/14/908518714.db2.gz JBXKNUMJAXITPV-UHFFFAOYSA-N 1 2 275.312 0.768 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001385942161 908554640 /nfs/dbraw/zinc/55/46/40/908554640.db2.gz SSOFZTBGQZYFAO-SRVKXCTJSA-N 1 2 289.339 0.196 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001316975399 908708284 /nfs/dbraw/zinc/70/82/84/908708284.db2.gz YLSWJBGXKWYBHH-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001316975399 908708291 /nfs/dbraw/zinc/70/82/91/908708291.db2.gz YLSWJBGXKWYBHH-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CCCC1 ZINC001316982711 908710771 /nfs/dbraw/zinc/71/07/71/908710771.db2.gz WYYICTYTVYBIQK-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCCC1 ZINC001316982711 908710781 /nfs/dbraw/zinc/71/07/81/908710781.db2.gz WYYICTYTVYBIQK-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316941608 908859617 /nfs/dbraw/zinc/85/96/17/908859617.db2.gz SHDFRSFHLAFQKM-CHWSQXEVSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316941608 908859630 /nfs/dbraw/zinc/85/96/30/908859630.db2.gz SHDFRSFHLAFQKM-CHWSQXEVSA-N 1 2 293.411 0.915 20 30 CCEDLO CCOCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316963933 908871657 /nfs/dbraw/zinc/87/16/57/908871657.db2.gz WYMJTTDIQRVQOT-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO N#CCN[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001317016735 908922830 /nfs/dbraw/zinc/92/28/30/908922830.db2.gz FPMIBXWNYCMSGR-LBPRGKRZSA-N 1 2 261.329 0.350 20 30 CCEDLO N#CCN[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001317016735 908922841 /nfs/dbraw/zinc/92/28/41/908922841.db2.gz FPMIBXWNYCMSGR-LBPRGKRZSA-N 1 2 261.329 0.350 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001338418452 921460769 /nfs/dbraw/zinc/46/07/69/921460769.db2.gz BFLFDTOHPHMLRZ-NWDGAFQWSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001338418452 921460775 /nfs/dbraw/zinc/46/07/75/921460775.db2.gz BFLFDTOHPHMLRZ-NWDGAFQWSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cccs1 ZINC001317438919 909199261 /nfs/dbraw/zinc/19/92/61/909199261.db2.gz KEPUFCJOELBQFI-UHFFFAOYSA-N 1 2 295.408 0.641 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cccs1 ZINC001317438919 909199265 /nfs/dbraw/zinc/19/92/65/909199265.db2.gz KEPUFCJOELBQFI-UHFFFAOYSA-N 1 2 295.408 0.641 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC1(F)F ZINC001317448607 909217991 /nfs/dbraw/zinc/21/79/91/909217991.db2.gz ABIPREHFCRREMZ-SNVBAGLBSA-N 1 2 289.326 0.382 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC1(F)F ZINC001317448607 909218003 /nfs/dbraw/zinc/21/80/03/909218003.db2.gz ABIPREHFCRREMZ-SNVBAGLBSA-N 1 2 289.326 0.382 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1CCC(F)CC1 ZINC001317460267 909238007 /nfs/dbraw/zinc/23/80/07/909238007.db2.gz VBWQOZXOGGJMHB-UHFFFAOYSA-N 1 2 297.374 0.312 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1CCC(F)CC1 ZINC001317460267 909238019 /nfs/dbraw/zinc/23/80/19/909238019.db2.gz VBWQOZXOGGJMHB-UHFFFAOYSA-N 1 2 297.374 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCNC1=O ZINC001317483719 909254237 /nfs/dbraw/zinc/25/42/37/909254237.db2.gz IPVAKJOZLUFXTK-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCNC1=O ZINC001317483719 909254253 /nfs/dbraw/zinc/25/42/53/909254253.db2.gz IPVAKJOZLUFXTK-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO N#CCSCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317516236 909286210 /nfs/dbraw/zinc/28/62/10/909286210.db2.gz SXXCKMLGNMQNTH-JTQLQIEISA-N 1 2 295.368 0.264 20 30 CCEDLO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317516236 909286226 /nfs/dbraw/zinc/28/62/26/909286226.db2.gz SXXCKMLGNMQNTH-JTQLQIEISA-N 1 2 295.368 0.264 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001317537400 909305256 /nfs/dbraw/zinc/30/52/56/909305256.db2.gz PLJGFUQUXGWXKS-LBPRGKRZSA-N 1 2 292.387 0.505 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001317537400 909305274 /nfs/dbraw/zinc/30/52/74/909305274.db2.gz PLJGFUQUXGWXKS-LBPRGKRZSA-N 1 2 292.387 0.505 20 30 CCEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001317734649 909476282 /nfs/dbraw/zinc/47/62/82/909476282.db2.gz MTHVQNYVPOVHJD-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001317734649 909476288 /nfs/dbraw/zinc/47/62/88/909476288.db2.gz MTHVQNYVPOVHJD-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cc(C)nn2C)C1 ZINC001318003949 909570666 /nfs/dbraw/zinc/57/06/66/909570666.db2.gz MCRQJKSCXCHXKB-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001318190599 909659892 /nfs/dbraw/zinc/65/98/92/909659892.db2.gz NRIBKMQMJXBOKT-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001318190599 909659899 /nfs/dbraw/zinc/65/98/99/909659899.db2.gz NRIBKMQMJXBOKT-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001318266899 909683200 /nfs/dbraw/zinc/68/32/00/909683200.db2.gz VZEOMCGSVNOSQS-LBPRGKRZSA-N 1 2 297.374 0.619 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001318266899 909683210 /nfs/dbraw/zinc/68/32/10/909683210.db2.gz VZEOMCGSVNOSQS-LBPRGKRZSA-N 1 2 297.374 0.619 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001318331361 909712276 /nfs/dbraw/zinc/71/22/76/909712276.db2.gz PMQFOESHEDFJEI-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001318331361 909712284 /nfs/dbraw/zinc/71/22/84/909712284.db2.gz PMQFOESHEDFJEI-CYBMUJFWSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001318421258 909748236 /nfs/dbraw/zinc/74/82/36/909748236.db2.gz DNGFIFOIUSMTAU-NEPJUHHUSA-N 1 2 283.347 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001318421258 909748248 /nfs/dbraw/zinc/74/82/48/909748248.db2.gz DNGFIFOIUSMTAU-NEPJUHHUSA-N 1 2 283.347 0.017 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001319331623 910102451 /nfs/dbraw/zinc/10/24/51/910102451.db2.gz ZTYBKBWZNVINFP-KGLIPLIRSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001319331623 910102462 /nfs/dbraw/zinc/10/24/62/910102462.db2.gz ZTYBKBWZNVINFP-KGLIPLIRSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001322778821 911947745 /nfs/dbraw/zinc/94/77/45/911947745.db2.gz GYMBQFPSEJNNHS-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001322778821 911947759 /nfs/dbraw/zinc/94/77/59/911947759.db2.gz GYMBQFPSEJNNHS-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323199034 912176153 /nfs/dbraw/zinc/17/61/53/912176153.db2.gz MZEQPOSKOCAIPI-LSDHHAIUSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323199034 912176171 /nfs/dbraw/zinc/17/61/71/912176171.db2.gz MZEQPOSKOCAIPI-LSDHHAIUSA-N 1 2 294.395 0.808 20 30 CCEDLO C#CCCCC(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC001328116361 914977338 /nfs/dbraw/zinc/97/73/38/914977338.db2.gz LWDLLCNQAHJDGD-UHFFFAOYSA-N 1 2 287.407 0.642 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001328116864 914978554 /nfs/dbraw/zinc/97/85/54/914978554.db2.gz PYLBYVGYPDVQAV-KAMYIIQDSA-N 1 2 275.396 0.804 20 30 CCEDLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1CC#N ZINC001328283779 915077608 /nfs/dbraw/zinc/07/76/08/915077608.db2.gz MFZAXIFCDFJFFN-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001328763374 915419342 /nfs/dbraw/zinc/41/93/42/915419342.db2.gz CAWKFBWCGDBMQF-VIFPVBQESA-N 1 2 259.737 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001328763374 915419349 /nfs/dbraw/zinc/41/93/49/915419349.db2.gz CAWKFBWCGDBMQF-VIFPVBQESA-N 1 2 259.737 0.147 20 30 CCEDLO C=CCN(c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001339591840 921771400 /nfs/dbraw/zinc/77/14/00/921771400.db2.gz PTLNGUCEISELIM-DOMZBBRYSA-N 1 2 291.399 0.882 20 30 CCEDLO C=CCN(c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001339591840 921771411 /nfs/dbraw/zinc/77/14/11/921771411.db2.gz PTLNGUCEISELIM-DOMZBBRYSA-N 1 2 291.399 0.882 20 30 CCEDLO N#CCNCC1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001328875511 915492037 /nfs/dbraw/zinc/49/20/37/915492037.db2.gz IDIKGNBGTIGTGM-OTTFEQOBSA-N 1 2 287.367 0.453 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC001329107753 915676817 /nfs/dbraw/zinc/67/68/17/915676817.db2.gz UHMVBUCYUJUIOT-LBPRGKRZSA-N 1 2 267.292 0.433 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001447994768 930776831 /nfs/dbraw/zinc/77/68/31/930776831.db2.gz SYLJOBJKCMDMQE-SECBINFHSA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001447994768 930776835 /nfs/dbraw/zinc/77/68/35/930776835.db2.gz SYLJOBJKCMDMQE-SECBINFHSA-N 1 2 277.752 0.531 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001329440382 915916592 /nfs/dbraw/zinc/91/65/92/915916592.db2.gz GZLLXCFAMZLSAU-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001329440382 915916611 /nfs/dbraw/zinc/91/66/11/915916611.db2.gz GZLLXCFAMZLSAU-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)NCC#N ZINC001329764567 916174469 /nfs/dbraw/zinc/17/44/69/916174469.db2.gz HZXJOXNEFMMFBH-ZDUSSCGKSA-N 1 2 277.372 0.869 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001330148330 916434927 /nfs/dbraw/zinc/43/49/27/916434927.db2.gz QDJPEWUABUAXQJ-UKRRQHHQSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001330148330 916434941 /nfs/dbraw/zinc/43/49/41/916434941.db2.gz QDJPEWUABUAXQJ-UKRRQHHQSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)COC)C2)C1 ZINC001330159957 916444250 /nfs/dbraw/zinc/44/42/50/916444250.db2.gz KELFMFCRNQOFCR-INIZCTEOSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)COC)C2)C1 ZINC001330159957 916444257 /nfs/dbraw/zinc/44/42/57/916444257.db2.gz KELFMFCRNQOFCR-INIZCTEOSA-N 1 2 294.395 0.596 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001330323258 916550524 /nfs/dbraw/zinc/55/05/24/916550524.db2.gz YPHNIYOLCZLKMU-XYYAHUGASA-N 1 2 273.340 0.091 20 30 CCEDLO C=C(Cl)CN1CCOC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001402524312 917073231 /nfs/dbraw/zinc/07/32/31/917073231.db2.gz HLIQYZNJINASQC-GFCCVEGCSA-N 1 2 298.774 0.522 20 30 CCEDLO C[NH+]1CCN(C2CCN(C(=O)CCCC#N)CC2)CC1 ZINC001331214823 917187412 /nfs/dbraw/zinc/18/74/12/917187412.db2.gz VOOQBOAVBRQNKP-UHFFFAOYSA-N 1 2 278.400 0.919 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001331699331 917526100 /nfs/dbraw/zinc/52/61/00/917526100.db2.gz BMHZJRLOLHHXOY-GXFFZTMASA-N 1 2 276.340 0.290 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001331699331 917526115 /nfs/dbraw/zinc/52/61/15/917526115.db2.gz BMHZJRLOLHHXOY-GXFFZTMASA-N 1 2 276.340 0.290 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001331787012 917605480 /nfs/dbraw/zinc/60/54/80/917605480.db2.gz GEMKQNPPLGKDLF-RISCZKNCSA-N 1 2 296.371 0.547 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001403504237 917749763 /nfs/dbraw/zinc/74/97/63/917749763.db2.gz FZWLUZCCKUQZEP-NEPJUHHUSA-N 1 2 282.388 0.355 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001403504237 917749775 /nfs/dbraw/zinc/74/97/75/917749775.db2.gz FZWLUZCCKUQZEP-NEPJUHHUSA-N 1 2 282.388 0.355 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCCN1CC#N ZINC001332203016 917953439 /nfs/dbraw/zinc/95/34/39/917953439.db2.gz ZRFHOAPSXYUPMF-CHWSQXEVSA-N 1 2 275.356 0.766 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cnon1)CC2 ZINC001403795316 918011766 /nfs/dbraw/zinc/01/17/66/918011766.db2.gz QVFJRRKZOLTXPS-SCDSUCTJSA-N 1 2 289.339 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cnon1)CC2 ZINC001403795316 918011776 /nfs/dbraw/zinc/01/17/76/918011776.db2.gz QVFJRRKZOLTXPS-SCDSUCTJSA-N 1 2 289.339 0.842 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404412527 918341888 /nfs/dbraw/zinc/34/18/88/918341888.db2.gz MWIGAQFLWGBVEO-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404412527 918341906 /nfs/dbraw/zinc/34/19/06/918341906.db2.gz MWIGAQFLWGBVEO-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C#CCC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001332865680 918494982 /nfs/dbraw/zinc/49/49/82/918494982.db2.gz LNZSAGPUCBNUHH-UHFFFAOYSA-N 1 2 261.325 0.651 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(CC#N)CC1 ZINC001332971960 918570579 /nfs/dbraw/zinc/57/05/79/918570579.db2.gz FDXXLAFQTKTYCT-GFCCVEGCSA-N 1 2 275.356 0.623 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001405143670 918624007 /nfs/dbraw/zinc/62/40/07/918624007.db2.gz JIUCVFAAFNIMNI-QWRGUYRKSA-N 1 2 291.355 0.085 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC001333415440 918883626 /nfs/dbraw/zinc/88/36/26/918883626.db2.gz DFASQTMAQHZNEB-UHFFFAOYSA-N 1 2 298.408 0.191 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC001333415440 918883634 /nfs/dbraw/zinc/88/36/34/918883634.db2.gz DFASQTMAQHZNEB-UHFFFAOYSA-N 1 2 298.408 0.191 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(CC#N)CC1 ZINC001333445479 918912285 /nfs/dbraw/zinc/91/22/85/918912285.db2.gz WNEGESGHBIALHK-UHFFFAOYSA-N 1 2 273.340 0.533 20 30 CCEDLO C#CCC[NH+]1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC001333873257 919224209 /nfs/dbraw/zinc/22/42/09/919224209.db2.gz ICVZEQPSHZAAQY-SFHVURJKSA-N 1 2 282.331 0.896 20 30 CCEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC#CCO)C1 ZINC001334341820 919511219 /nfs/dbraw/zinc/51/12/19/919511219.db2.gz TYFOIKOBLPWSIU-ZDUSSCGKSA-N 1 2 290.367 0.380 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1csnn1 ZINC001418207900 921913281 /nfs/dbraw/zinc/91/32/81/921913281.db2.gz GODKFWIHJWCWBW-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001341562938 922554405 /nfs/dbraw/zinc/55/44/05/922554405.db2.gz OVJUXQIGVOAJKC-LBPRGKRZSA-N 1 2 277.372 0.761 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001341562938 922554417 /nfs/dbraw/zinc/55/44/17/922554417.db2.gz OVJUXQIGVOAJKC-LBPRGKRZSA-N 1 2 277.372 0.761 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001419939360 923171164 /nfs/dbraw/zinc/17/11/64/923171164.db2.gz JKCCNYLACZCCKH-UHFFFAOYSA-N 1 2 284.747 0.939 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001419939360 923171175 /nfs/dbraw/zinc/17/11/75/923171175.db2.gz JKCCNYLACZCCKH-UHFFFAOYSA-N 1 2 284.747 0.939 20 30 CCEDLO C=C[C@H](COC)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001343032243 923174173 /nfs/dbraw/zinc/17/41/73/923174173.db2.gz KVWNODFMNFXFIK-GFCCVEGCSA-N 1 2 294.355 0.097 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001420558725 923781345 /nfs/dbraw/zinc/78/13/45/923781345.db2.gz IHSKXLIQYYCUDL-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001420558725 923781360 /nfs/dbraw/zinc/78/13/60/923781360.db2.gz IHSKXLIQYYCUDL-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CN(C)C(C)=O)C1CC1 ZINC001420631158 923836500 /nfs/dbraw/zinc/83/65/00/923836500.db2.gz KZRHYHFYPFDYTR-UHFFFAOYSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CN(C)C(C)=O)C1CC1 ZINC001420631158 923836506 /nfs/dbraw/zinc/83/65/06/923836506.db2.gz KZRHYHFYPFDYTR-UHFFFAOYSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001421261622 924243944 /nfs/dbraw/zinc/24/39/44/924243944.db2.gz QGRNJIXBFDVKEM-LLVKDONJSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001421261622 924243957 /nfs/dbraw/zinc/24/39/57/924243957.db2.gz QGRNJIXBFDVKEM-LLVKDONJSA-N 1 2 285.775 0.456 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001346575937 924267113 /nfs/dbraw/zinc/26/71/13/924267113.db2.gz AZAGCMAJOZHSLS-LBPRGKRZSA-N 1 2 276.340 0.697 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001347183511 924391361 /nfs/dbraw/zinc/39/13/61/924391361.db2.gz ANYPBABLQWRPTD-GXTWGEPZSA-N 1 2 280.416 0.981 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001347183511 924391372 /nfs/dbraw/zinc/39/13/72/924391372.db2.gz ANYPBABLQWRPTD-GXTWGEPZSA-N 1 2 280.416 0.981 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001347553223 924478519 /nfs/dbraw/zinc/47/85/19/924478519.db2.gz FFFKQWASEDTTJI-NWDGAFQWSA-N 1 2 267.377 0.081 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001348614534 924751902 /nfs/dbraw/zinc/75/19/02/924751902.db2.gz CLPOBDIYTQEPQS-UHFFFAOYSA-N 1 2 264.329 0.161 20 30 CCEDLO C=CC(C)(C)CC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001349081289 924880707 /nfs/dbraw/zinc/88/07/07/924880707.db2.gz ORRKTJBASWPZSP-UHFFFAOYSA-N 1 2 292.383 0.797 20 30 CCEDLO C#CC1(O)CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001350860954 925298325 /nfs/dbraw/zinc/29/83/25/925298325.db2.gz GPDMKHYYVBIIOC-UHFFFAOYSA-N 1 2 290.367 0.833 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001352677583 925616404 /nfs/dbraw/zinc/61/64/04/925616404.db2.gz MKEWBYWLXKFZOI-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001352677583 925616408 /nfs/dbraw/zinc/61/64/08/925616408.db2.gz MKEWBYWLXKFZOI-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001353813205 925937960 /nfs/dbraw/zinc/93/79/60/925937960.db2.gz IJYIUPZTYDADCT-PHIMTYICSA-N 1 2 290.367 0.928 20 30 CCEDLO Cc1conc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421333997 926681899 /nfs/dbraw/zinc/68/18/99/926681899.db2.gz ASWFMDRASRUPOY-HZMBPMFUSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1conc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421333997 926681906 /nfs/dbraw/zinc/68/19/06/926681906.db2.gz ASWFMDRASRUPOY-HZMBPMFUSA-N 1 2 292.339 0.196 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362267392 927801132 /nfs/dbraw/zinc/80/11/32/927801132.db2.gz IVOCVPABPCSHQK-IUODEOHRSA-N 1 2 293.367 0.822 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001362939325 928676800 /nfs/dbraw/zinc/67/68/00/928676800.db2.gz VICQUNZAEJKERA-GYSYKLTISA-N 1 2 274.324 0.401 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001426821010 928926194 /nfs/dbraw/zinc/92/61/94/928926194.db2.gz LLPZFJXSEAHRDM-QWRGUYRKSA-N 1 2 277.328 0.006 20 30 CCEDLO C[NH+](C)Cc1nc(CNC(=O)C2(C#N)CCOCC2)co1 ZINC001363716740 929516221 /nfs/dbraw/zinc/51/62/21/929516221.db2.gz DNQLYRVHZXWGIX-UHFFFAOYSA-N 1 2 292.339 0.673 20 30 CCEDLO C=C(Cl)CN1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001444482154 929879303 /nfs/dbraw/zinc/87/93/03/929879303.db2.gz PEBQAOOCHGBWMG-GFCCVEGCSA-N 1 2 298.774 0.453 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001445351034 930107939 /nfs/dbraw/zinc/10/79/39/930107939.db2.gz BICQHWZXECUYSZ-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001374165288 930440694 /nfs/dbraw/zinc/44/06/94/930440694.db2.gz CJLNEWWTQMVFQC-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001376705275 931232806 /nfs/dbraw/zinc/23/28/06/931232806.db2.gz ABTMGMGOJSIYOO-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccn1 ZINC000091753090 349475001 /nfs/dbraw/zinc/47/50/01/349475001.db2.gz KFYDUPZLETVIRX-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ccn1 ZINC000091753090 349475003 /nfs/dbraw/zinc/47/50/03/349475003.db2.gz KFYDUPZLETVIRX-LBPRGKRZSA-N 1 2 257.297 0.163 20 30 CCEDLO C[C@@H]1CO[C@H](CO)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000092041729 349481357 /nfs/dbraw/zinc/48/13/57/349481357.db2.gz RQOGGVDSFLGLKS-RISCZKNCSA-N 1 2 286.335 0.788 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599584046 361753757 /nfs/dbraw/zinc/75/37/57/361753757.db2.gz YSKRSHKUTCWURN-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599584046 361753759 /nfs/dbraw/zinc/75/37/59/361753759.db2.gz YSKRSHKUTCWURN-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599634932 361764969 /nfs/dbraw/zinc/76/49/69/361764969.db2.gz GUDHQZSYDKWNBG-IBXUITPSSA-N 1 2 257.355 0.699 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599634932 361764976 /nfs/dbraw/zinc/76/49/76/361764976.db2.gz GUDHQZSYDKWNBG-IBXUITPSSA-N 1 2 257.355 0.699 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599693983 361789554 /nfs/dbraw/zinc/78/95/54/361789554.db2.gz QMBCPTODSZEUQD-STQMWFEESA-N 1 2 298.412 0.691 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000599693983 361789556 /nfs/dbraw/zinc/78/95/56/361789556.db2.gz QMBCPTODSZEUQD-STQMWFEESA-N 1 2 298.412 0.691 20 30 CCEDLO COC[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691386 361789604 /nfs/dbraw/zinc/78/96/04/361789604.db2.gz ASWACJKJVBWHAZ-OCCSQVGLSA-N 1 2 295.383 0.675 20 30 CCEDLO COC[C@]1(C)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691386 361789605 /nfs/dbraw/zinc/78/96/05/361789605.db2.gz ASWACJKJVBWHAZ-OCCSQVGLSA-N 1 2 295.383 0.675 20 30 CCEDLO Cc1nsc(NC(=O)NC[C@H]2COCC[N@H+]2C)c1C#N ZINC000599786442 361814815 /nfs/dbraw/zinc/81/48/15/361814815.db2.gz LJYOLXGXVBIRJL-VIFPVBQESA-N 1 2 295.368 0.775 20 30 CCEDLO Cc1nsc(NC(=O)NC[C@H]2COCC[N@@H+]2C)c1C#N ZINC000599786442 361814820 /nfs/dbraw/zinc/81/48/20/361814820.db2.gz LJYOLXGXVBIRJL-VIFPVBQESA-N 1 2 295.368 0.775 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000599931115 361832675 /nfs/dbraw/zinc/83/26/75/361832675.db2.gz VPRDKYAPWLINPN-ZDUSSCGKSA-N 1 2 281.319 0.823 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000097060889 349625723 /nfs/dbraw/zinc/62/57/23/349625723.db2.gz JSUOBTAVTTVVRZ-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000600417751 361955147 /nfs/dbraw/zinc/95/51/47/361955147.db2.gz ASZGVNWOGOYYBV-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000600417751 361955154 /nfs/dbraw/zinc/95/51/54/361955154.db2.gz ASZGVNWOGOYYBV-LBPRGKRZSA-N 1 2 260.297 0.014 20 30 CCEDLO N#CCCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000111327460 349771056 /nfs/dbraw/zinc/77/10/56/349771056.db2.gz MHOITYXUZRZRCS-UHFFFAOYSA-N 1 2 296.396 0.985 20 30 CCEDLO N#Cc1cccnc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000600975991 362111544 /nfs/dbraw/zinc/11/15/44/362111544.db2.gz GZEYYNDGODFUQE-LLVKDONJSA-N 1 2 256.269 0.195 20 30 CCEDLO CC#CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000159818916 136392551 /nfs/dbraw/zinc/39/25/51/136392551.db2.gz BWXKOEVEBCJOQJ-UHFFFAOYSA-N 1 2 258.325 0.326 20 30 CCEDLO Cn1nccc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347091437 529831534 /nfs/dbraw/zinc/83/15/34/529831534.db2.gz PYWDPZWGOZALHQ-UHFFFAOYSA-N 1 2 261.329 0.414 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347091437 529831535 /nfs/dbraw/zinc/83/15/35/529831535.db2.gz PYWDPZWGOZALHQ-UHFFFAOYSA-N 1 2 261.329 0.414 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354798214 529869432 /nfs/dbraw/zinc/86/94/32/529869432.db2.gz CNPLTGIFEPQTCR-UHFFFAOYSA-N 1 2 293.352 0.514 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+]CC(=O)N1CCOCC1 ZINC000602015738 362458326 /nfs/dbraw/zinc/45/83/26/362458326.db2.gz OOKBYYNGWPIILJ-UHFFFAOYSA-N 1 2 277.299 0.646 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)n2C)nn1 ZINC000602022137 362461304 /nfs/dbraw/zinc/46/13/04/362461304.db2.gz XFIAAPJOGNJMQC-UHFFFAOYSA-N 1 2 289.339 0.879 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602103383 362489514 /nfs/dbraw/zinc/48/95/14/362489514.db2.gz PPSSCETXYREXMP-LBPRGKRZSA-N 1 2 292.339 0.995 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330145961 282367868 /nfs/dbraw/zinc/36/78/68/282367868.db2.gz HPXYPBOURUXNOP-RYUDHWBXSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nnccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330145961 282367869 /nfs/dbraw/zinc/36/78/69/282367869.db2.gz HPXYPBOURUXNOP-RYUDHWBXSA-N 1 2 277.328 0.345 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000602326427 362586413 /nfs/dbraw/zinc/58/64/13/362586413.db2.gz BXZMKWSIIHUDNW-HBNTYKKESA-N 1 2 259.313 0.799 20 30 CCEDLO C[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CC[NH2+]CC1=O ZINC000602521686 362655251 /nfs/dbraw/zinc/65/52/51/362655251.db2.gz QFCSYYMBRZIBFC-LLVKDONJSA-N 1 2 298.346 0.221 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc(C#N)n3)CCN2C1=O ZINC000602484546 362640636 /nfs/dbraw/zinc/64/06/36/362640636.db2.gz NHUNGBMYHCSDNG-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(C#N)n3)CCN2C1=O ZINC000602484546 362640640 /nfs/dbraw/zinc/64/06/40/362640640.db2.gz NHUNGBMYHCSDNG-CYBMUJFWSA-N 1 2 299.334 0.422 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000602615076 362714793 /nfs/dbraw/zinc/71/47/93/362714793.db2.gz QKIIAGVEFPVFCP-CQSZACIVSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000602615076 362714800 /nfs/dbraw/zinc/71/48/00/362714800.db2.gz QKIIAGVEFPVFCP-CQSZACIVSA-N 1 2 258.325 0.470 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCSC[C@@H]3CO)cnc12 ZINC000602752493 362786635 /nfs/dbraw/zinc/78/66/35/362786635.db2.gz XPSVERJUPJODIP-LBPRGKRZSA-N 1 2 289.364 0.511 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCSC[C@@H]3CO)cnc12 ZINC000602752493 362786638 /nfs/dbraw/zinc/78/66/38/362786638.db2.gz XPSVERJUPJODIP-LBPRGKRZSA-N 1 2 289.364 0.511 20 30 CCEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602862240 362846503 /nfs/dbraw/zinc/84/65/03/362846503.db2.gz JITLEPROZVEXPW-NWDGAFQWSA-N 1 2 281.356 0.680 20 30 CCEDLO COC(=O)[C@H](C1CC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856305 362843458 /nfs/dbraw/zinc/84/34/58/362843458.db2.gz YRMIIVVKWFHUNE-GVXVVHGQSA-N 1 2 265.357 0.856 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000317993802 137079455 /nfs/dbraw/zinc/07/94/55/137079455.db2.gz GFVMLHOAAFJGAO-ZIAGYGMSSA-N 1 2 298.346 0.707 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000317993802 137079456 /nfs/dbraw/zinc/07/94/56/137079456.db2.gz GFVMLHOAAFJGAO-ZIAGYGMSSA-N 1 2 298.346 0.707 20 30 CCEDLO Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C#N)n1 ZINC000342512751 137098388 /nfs/dbraw/zinc/09/83/88/137098388.db2.gz PPZXKMXVOAUDNU-OAHLLOKOSA-N 1 2 290.367 0.391 20 30 CCEDLO CC(C)c1nc(NCCn2cnc(C#N)n2)cc[nH+]1 ZINC000343528257 137140064 /nfs/dbraw/zinc/14/00/64/137140064.db2.gz SIUBGWDYLUXHPT-UHFFFAOYSA-N 1 2 257.301 0.597 20 30 CCEDLO CC(=O)N1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000011419732 348017797 /nfs/dbraw/zinc/01/77/97/348017797.db2.gz ADGNMQHOFPPSNF-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000011419732 348017799 /nfs/dbraw/zinc/01/77/99/348017799.db2.gz ADGNMQHOFPPSNF-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028754163 348108667 /nfs/dbraw/zinc/10/86/67/348108667.db2.gz YPKYLUUJRGOHRK-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450356 348112267 /nfs/dbraw/zinc/11/22/67/348112267.db2.gz LGSJEJXXJMXFGZ-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029708730 348114827 /nfs/dbraw/zinc/11/48/27/348114827.db2.gz ANBLIGLVMNDQFL-UHFFFAOYSA-N 1 2 299.374 0.584 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029708730 348114830 /nfs/dbraw/zinc/11/48/30/348114830.db2.gz ANBLIGLVMNDQFL-UHFFFAOYSA-N 1 2 299.374 0.584 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023265188 348084875 /nfs/dbraw/zinc/08/48/75/348084875.db2.gz DELBVXACRIRDEN-UHFFFAOYSA-N 1 2 298.390 0.978 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023265188 348084877 /nfs/dbraw/zinc/08/48/77/348084877.db2.gz DELBVXACRIRDEN-UHFFFAOYSA-N 1 2 298.390 0.978 20 30 CCEDLO N#Cc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)s1 ZINC000344659189 137206462 /nfs/dbraw/zinc/20/64/62/137206462.db2.gz AQYQDLAQCCUXSV-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO N#Cc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)s1 ZINC000344659189 137206463 /nfs/dbraw/zinc/20/64/63/137206463.db2.gz AQYQDLAQCCUXSV-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)nc1 ZINC000344980123 137225661 /nfs/dbraw/zinc/22/56/61/137225661.db2.gz UUVZOIHLBQLQAK-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)nc1 ZINC000344980123 137225662 /nfs/dbraw/zinc/22/56/62/137225662.db2.gz UUVZOIHLBQLQAK-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869964 348173404 /nfs/dbraw/zinc/17/34/04/348173404.db2.gz DWXSDAYRPXAKGC-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869964 348173406 /nfs/dbraw/zinc/17/34/06/348173406.db2.gz DWXSDAYRPXAKGC-ZIAGYGMSSA-N 1 2 294.376 0.711 20 30 CCEDLO Cn1ncc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000347030618 137316914 /nfs/dbraw/zinc/31/69/14/137316914.db2.gz XKFWWVOHERIYMP-UHFFFAOYSA-N 1 2 298.350 0.797 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000047262991 348373387 /nfs/dbraw/zinc/37/33/87/348373387.db2.gz VERUSULFASOFJB-ZDUSSCGKSA-N 1 2 268.361 0.109 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000047262991 348373388 /nfs/dbraw/zinc/37/33/88/348373388.db2.gz VERUSULFASOFJB-ZDUSSCGKSA-N 1 2 268.361 0.109 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602974425 362916999 /nfs/dbraw/zinc/91/69/99/362916999.db2.gz OAZYMTUXIGWFAP-IHRRRGAJSA-N 1 2 267.373 0.304 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977131 362917740 /nfs/dbraw/zinc/91/77/40/362917740.db2.gz YGRIQVYHCFAPPI-HBNTYKKESA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977131 362917745 /nfs/dbraw/zinc/91/77/45/362917745.db2.gz YGRIQVYHCFAPPI-HBNTYKKESA-N 1 2 266.345 0.845 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982766 362922630 /nfs/dbraw/zinc/92/26/30/362922630.db2.gz XVPXCVCDZXCZPR-WDEREUQCSA-N 1 2 259.375 0.502 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982766 362922636 /nfs/dbraw/zinc/92/26/36/362922636.db2.gz XVPXCVCDZXCZPR-WDEREUQCSA-N 1 2 259.375 0.502 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000349114813 137388058 /nfs/dbraw/zinc/38/80/58/137388058.db2.gz BCJKWSDDMXOXIX-UHFFFAOYSA-N 1 2 288.351 0.194 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000349114813 137388059 /nfs/dbraw/zinc/38/80/59/137388059.db2.gz BCJKWSDDMXOXIX-UHFFFAOYSA-N 1 2 288.351 0.194 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000052278968 348507856 /nfs/dbraw/zinc/50/78/56/348507856.db2.gz OUNOUAWZSGFZFS-CYBMUJFWSA-N 1 2 295.383 0.960 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000053811352 348534032 /nfs/dbraw/zinc/53/40/32/348534032.db2.gz IVPCHFSONNQBHD-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053811352 348534034 /nfs/dbraw/zinc/53/40/34/348534034.db2.gz IVPCHFSONNQBHD-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000054977811 348566664 /nfs/dbraw/zinc/56/66/64/348566664.db2.gz QXNYVJQCZNFHGW-UHFFFAOYSA-N 1 2 258.325 0.161 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2snnc2CC)CC1 ZINC000064443013 348700166 /nfs/dbraw/zinc/70/01/66/348700166.db2.gz FODCRAMTEREZQJ-UHFFFAOYSA-N 1 2 278.381 0.882 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000066469199 348744375 /nfs/dbraw/zinc/74/43/75/348744375.db2.gz SVWBHNKTERRGRW-RYUDHWBXSA-N 1 2 295.383 0.878 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000066469199 348744379 /nfs/dbraw/zinc/74/43/79/348744379.db2.gz SVWBHNKTERRGRW-RYUDHWBXSA-N 1 2 295.383 0.878 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000066864139 348758017 /nfs/dbraw/zinc/75/80/17/348758017.db2.gz HRBLZIAUIVEHSQ-LLVKDONJSA-N 1 2 253.346 0.361 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000066864139 348758020 /nfs/dbraw/zinc/75/80/20/348758020.db2.gz HRBLZIAUIVEHSQ-LLVKDONJSA-N 1 2 253.346 0.361 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C)nc(COC)n2)CC1 ZINC000075041465 349018174 /nfs/dbraw/zinc/01/81/74/349018174.db2.gz CKWRZNUXDQWGBG-UHFFFAOYSA-N 1 2 260.341 0.687 20 30 CCEDLO CC[N@@H+](CCC#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000081054378 349244156 /nfs/dbraw/zinc/24/41/56/349244156.db2.gz GWPKAWCZGJMLJY-UHFFFAOYSA-N 1 2 297.380 0.948 20 30 CCEDLO CC[N@H+](CCC#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000081054378 349244159 /nfs/dbraw/zinc/24/41/59/349244159.db2.gz GWPKAWCZGJMLJY-UHFFFAOYSA-N 1 2 297.380 0.948 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(C#N)c1C ZINC000603085724 362955307 /nfs/dbraw/zinc/95/53/07/362955307.db2.gz BHSQKSJPROFTTN-QMTHXVAHSA-N 1 2 275.308 0.773 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(C#N)c1C ZINC000603085724 362955312 /nfs/dbraw/zinc/95/53/12/362955312.db2.gz BHSQKSJPROFTTN-QMTHXVAHSA-N 1 2 275.308 0.773 20 30 CCEDLO COC(C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)OC ZINC000161526153 350723967 /nfs/dbraw/zinc/72/39/67/350723967.db2.gz KJFVCBZIOXIUIW-NSHDSACASA-N 1 2 291.355 0.478 20 30 CCEDLO COC(C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)OC ZINC000161526153 350723971 /nfs/dbraw/zinc/72/39/71/350723971.db2.gz KJFVCBZIOXIUIW-NSHDSACASA-N 1 2 291.355 0.478 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)CCC#N)nn1 ZINC000603188051 362989728 /nfs/dbraw/zinc/98/97/28/362989728.db2.gz GGVZBUFXRFIRMO-GFCCVEGCSA-N 1 2 288.355 0.324 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603191846 362992151 /nfs/dbraw/zinc/99/21/51/362992151.db2.gz KNTDEURNRZQCOP-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603191846 362992155 /nfs/dbraw/zinc/99/21/55/362992155.db2.gz KNTDEURNRZQCOP-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO N#Cc1cccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c1F ZINC000603237059 363017093 /nfs/dbraw/zinc/01/70/93/363017093.db2.gz MQNYPFFBOKHHMH-ZDUSSCGKSA-N 1 2 287.298 0.998 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000603238812 363018689 /nfs/dbraw/zinc/01/86/89/363018689.db2.gz YNSNJYUUCSEOND-NSHDSACASA-N 1 2 268.317 0.256 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(C[N@H+](C)CCOC)nn1 ZINC000603238812 363018690 /nfs/dbraw/zinc/01/86/90/363018690.db2.gz YNSNJYUUCSEOND-NSHDSACASA-N 1 2 268.317 0.256 20 30 CCEDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000291489485 198035300 /nfs/dbraw/zinc/03/53/00/198035300.db2.gz GLWZJPCWEWFAKN-UHFFFAOYSA-N 1 2 298.368 0.169 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1C#N ZINC000191382299 351755579 /nfs/dbraw/zinc/75/55/79/351755579.db2.gz ZQBHWVPTSXFOCZ-NSHDSACASA-N 1 2 282.369 0.020 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1C#N ZINC000191382299 351755585 /nfs/dbraw/zinc/75/55/85/351755585.db2.gz ZQBHWVPTSXFOCZ-NSHDSACASA-N 1 2 282.369 0.020 20 30 CCEDLO Cc1nc(NCC[NH+]2CCN(C)CC2)ccc1C#N ZINC000291729218 198073250 /nfs/dbraw/zinc/07/32/50/198073250.db2.gz XQWXLGGNRNVWEW-UHFFFAOYSA-N 1 2 259.357 0.921 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000193057369 351809148 /nfs/dbraw/zinc/80/91/48/351809148.db2.gz HGFMLYUJDZKEQP-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000193057369 351809150 /nfs/dbraw/zinc/80/91/50/351809150.db2.gz HGFMLYUJDZKEQP-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO COC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292037257 198141593 /nfs/dbraw/zinc/14/15/93/198141593.db2.gz ADQNQIQGMUKRCR-LLVKDONJSA-N 1 2 261.281 0.579 20 30 CCEDLO COC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292037257 198141594 /nfs/dbraw/zinc/14/15/94/198141594.db2.gz ADQNQIQGMUKRCR-LLVKDONJSA-N 1 2 261.281 0.579 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000266121899 352683432 /nfs/dbraw/zinc/68/34/32/352683432.db2.gz AEODTISUOZWCQF-UHFFFAOYSA-N 1 2 276.315 0.565 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(N)c2)CC1 ZINC000274523029 353136941 /nfs/dbraw/zinc/13/69/41/353136941.db2.gz XQRLFZARCBHWLS-UHFFFAOYSA-N 1 2 293.392 0.598 20 30 CCEDLO CNC(=O)C[NH+]1CCC(Nc2snc(C)c2C#N)CC1 ZINC000286167822 353566520 /nfs/dbraw/zinc/56/65/20/353566520.db2.gz PFUPYQYXNLSLFF-UHFFFAOYSA-N 1 2 293.396 0.946 20 30 CCEDLO CC#CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000294495658 353889844 /nfs/dbraw/zinc/88/98/44/353889844.db2.gz JNNIZTIZHGBFFD-UHFFFAOYSA-N 1 2 286.379 0.685 20 30 CCEDLO C=CCn1nnnc1Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000607143994 363339712 /nfs/dbraw/zinc/33/97/12/363339712.db2.gz WABPVXDFHJRIHH-UHFFFAOYSA-N 1 2 286.324 0.986 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329752779 354259867 /nfs/dbraw/zinc/25/98/67/354259867.db2.gz WKGZVGQBWROEFY-BBBLOLIVSA-N 1 2 264.329 0.636 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329752779 354259871 /nfs/dbraw/zinc/25/98/71/354259871.db2.gz WKGZVGQBWROEFY-BBBLOLIVSA-N 1 2 264.329 0.636 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C#N)o1)CC2 ZINC000376371239 137725975 /nfs/dbraw/zinc/72/59/75/137725975.db2.gz ZRQSSRSPVPAQJF-UHFFFAOYSA-N 1 2 292.320 0.861 20 30 CCEDLO O=C(CN1CCCCC1=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329893517 354269298 /nfs/dbraw/zinc/26/92/98/354269298.db2.gz AVTOKASYWAKTIX-UHFFFAOYSA-N 1 2 295.383 0.820 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@](=O)C[C@@H](C)C2)C1=O ZINC000337256582 355291590 /nfs/dbraw/zinc/29/15/90/355291590.db2.gz UDAAVIRRMSNBRF-PZROIBLQSA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@](=O)C[C@@H](C)C2)C1=O ZINC000337256582 355291591 /nfs/dbraw/zinc/29/15/91/355291591.db2.gz UDAAVIRRMSNBRF-PZROIBLQSA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](COC)C2)C1=O ZINC000337176574 355278315 /nfs/dbraw/zinc/27/83/15/355278315.db2.gz JLLFQLZIZGDQOP-VXGBXAGGSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](COC)C2)C1=O ZINC000337176574 355278317 /nfs/dbraw/zinc/27/83/17/355278317.db2.gz JLLFQLZIZGDQOP-VXGBXAGGSA-N 1 2 254.330 0.121 20 30 CCEDLO Cc1cc(N[C@@H]2CCCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000425240134 235276360 /nfs/dbraw/zinc/27/63/60/235276360.db2.gz YEJBYJIKAPCBNY-LLVKDONJSA-N 1 2 259.313 0.639 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900930 355589290 /nfs/dbraw/zinc/58/92/90/355589290.db2.gz GEERTXSEUAXQJT-YPMHNXCESA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900930 355589296 /nfs/dbraw/zinc/58/92/96/355589296.db2.gz GEERTXSEUAXQJT-YPMHNXCESA-N 1 2 294.376 0.787 20 30 CCEDLO N#CCNC(=O)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000343546518 355774415 /nfs/dbraw/zinc/77/44/15/355774415.db2.gz LMEZVQLVHFWJIP-UHFFFAOYSA-N 1 2 283.291 0.242 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)c(F)c1 ZINC000361295682 138027715 /nfs/dbraw/zinc/02/77/15/138027715.db2.gz FYYLGJSLGQSLGO-LSDHHAIUSA-N 1 2 291.326 0.579 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C#N)o3)CCN2C1=O ZINC000362011730 138042223 /nfs/dbraw/zinc/04/22/23/138042223.db2.gz MPJLJMNKLVOITN-LBPRGKRZSA-N 1 2 288.307 0.620 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CCN2C1=O ZINC000362011730 138042224 /nfs/dbraw/zinc/04/22/24/138042224.db2.gz MPJLJMNKLVOITN-LBPRGKRZSA-N 1 2 288.307 0.620 20 30 CCEDLO Cc1onc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000354376587 356401616 /nfs/dbraw/zinc/40/16/16/356401616.db2.gz AFOPMSJIJQMUMC-VIFPVBQESA-N 1 2 273.296 0.799 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273748768 192289611 /nfs/dbraw/zinc/28/96/11/192289611.db2.gz WUSVCLGVERKIFV-YUMQZZPRSA-N 1 2 297.384 0.897 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000355067422 356565688 /nfs/dbraw/zinc/56/56/88/356565688.db2.gz KFTAPIGBXZXZNQ-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000355067422 356565692 /nfs/dbraw/zinc/56/56/92/356565692.db2.gz KFTAPIGBXZXZNQ-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCNC1=O ZINC000355191443 356604293 /nfs/dbraw/zinc/60/42/93/356604293.db2.gz FWVJUAAIDRZOIQ-LBPRGKRZSA-N 1 2 269.308 0.526 20 30 CCEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCNC1=O ZINC000355191443 356604294 /nfs/dbraw/zinc/60/42/94/356604294.db2.gz FWVJUAAIDRZOIQ-LBPRGKRZSA-N 1 2 269.308 0.526 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](NC(N)=O)C3)n2c1 ZINC000355196739 356606261 /nfs/dbraw/zinc/60/62/61/356606261.db2.gz YWJRFRRSBUUDCC-LLVKDONJSA-N 1 2 284.323 0.449 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)n2c1 ZINC000355196739 356606264 /nfs/dbraw/zinc/60/62/64/356606264.db2.gz YWJRFRRSBUUDCC-LLVKDONJSA-N 1 2 284.323 0.449 20 30 CCEDLO N#CCN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000610397115 363554301 /nfs/dbraw/zinc/55/43/01/363554301.db2.gz QBSHYFZZYXPAQR-UHFFFAOYSA-N 1 2 261.329 0.331 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCCO)CC1 ZINC000619718803 366338810 /nfs/dbraw/zinc/33/88/10/366338810.db2.gz ZDJNIGQKFDNRBY-GFCCVEGCSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000619719907 366340040 /nfs/dbraw/zinc/34/00/40/366340040.db2.gz MDKASGPJUMJHMZ-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](OCCOC)C1 ZINC000619719907 366340044 /nfs/dbraw/zinc/34/00/44/366340044.db2.gz MDKASGPJUMJHMZ-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000619720088 366341535 /nfs/dbraw/zinc/34/15/35/366341535.db2.gz ZUEWIXCIKDMTFT-NEPJUHHUSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000619720088 366341539 /nfs/dbraw/zinc/34/15/39/366341539.db2.gz ZUEWIXCIKDMTFT-NEPJUHHUSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000619721824 366341649 /nfs/dbraw/zinc/34/16/49/366341649.db2.gz INLCBQXYYNOXLM-BDAKNGLRSA-N 1 2 294.273 0.714 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000619721824 366341650 /nfs/dbraw/zinc/34/16/50/366341650.db2.gz INLCBQXYYNOXLM-BDAKNGLRSA-N 1 2 294.273 0.714 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H]1C ZINC000619750951 366347917 /nfs/dbraw/zinc/34/79/17/366347917.db2.gz CTYIGDSZJPPFJJ-NEPJUHHUSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H]1C ZINC000619750951 366347924 /nfs/dbraw/zinc/34/79/24/366347924.db2.gz CTYIGDSZJPPFJJ-NEPJUHHUSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)CCCC#N)CCO1 ZINC000360453704 357015638 /nfs/dbraw/zinc/01/56/38/357015638.db2.gz FUEJWBHGQPDQAD-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)CCCC#N)CCO1 ZINC000360453704 357015639 /nfs/dbraw/zinc/01/56/39/357015639.db2.gz FUEJWBHGQPDQAD-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C#N)c1C ZINC000367838380 357283928 /nfs/dbraw/zinc/28/39/28/357283928.db2.gz DCFPOYNIGUWMAK-ITGUQSILSA-N 1 2 289.335 0.877 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C#N)c1C ZINC000367838380 357283932 /nfs/dbraw/zinc/28/39/32/357283932.db2.gz DCFPOYNIGUWMAK-ITGUQSILSA-N 1 2 289.335 0.877 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000294428234 199036712 /nfs/dbraw/zinc/03/67/12/199036712.db2.gz GSLXSFXREUVKRI-SNVBAGLBSA-N 1 2 262.300 0.723 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329274547 202260302 /nfs/dbraw/zinc/26/03/02/202260302.db2.gz BEEOAPZYCMCTGS-JTQLQIEISA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1cnccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000570101240 358823630 /nfs/dbraw/zinc/82/36/30/358823630.db2.gz PMRUBDXRDACYFV-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000570212214 358834100 /nfs/dbraw/zinc/83/41/00/358834100.db2.gz YFIFBVYVPVSHHR-LLVKDONJSA-N 1 2 298.350 0.654 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000570212214 358834104 /nfs/dbraw/zinc/83/41/04/358834104.db2.gz YFIFBVYVPVSHHR-LLVKDONJSA-N 1 2 298.350 0.654 20 30 CCEDLO CCN(CC)C(=O)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573039251 358932170 /nfs/dbraw/zinc/93/21/70/358932170.db2.gz MWYZMTLZLBXFRZ-AWEZNQCLSA-N 1 2 282.388 0.595 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCNC3=O)nc1 ZINC000573264096 358952843 /nfs/dbraw/zinc/95/28/43/358952843.db2.gz SZHYQJKGJWENAX-AWEZNQCLSA-N 1 2 256.309 0.808 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCNC3=O)nc1 ZINC000573264096 358952845 /nfs/dbraw/zinc/95/28/45/358952845.db2.gz SZHYQJKGJWENAX-AWEZNQCLSA-N 1 2 256.309 0.808 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000573815108 359002534 /nfs/dbraw/zinc/00/25/34/359002534.db2.gz ZCOIKRQWLPSXFD-LOWVWBTDSA-N 1 2 283.372 0.972 20 30 CCEDLO C=CCCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000582296352 359130555 /nfs/dbraw/zinc/13/05/55/359130555.db2.gz GENURSDGWFQAHM-UHFFFAOYSA-N 1 2 275.356 0.774 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000589332683 359378931 /nfs/dbraw/zinc/37/89/31/359378931.db2.gz OAAUXQYIZUKTHX-SECBINFHSA-N 1 2 285.311 0.116 20 30 CCEDLO Cc1nc(CN2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n[nH]1 ZINC000590167174 359428107 /nfs/dbraw/zinc/42/81/07/359428107.db2.gz ZOSVDWSAUASGTE-STQMWFEESA-N 1 2 274.372 0.923 20 30 CCEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000590162452 359428125 /nfs/dbraw/zinc/42/81/25/359428125.db2.gz IFYLUOIKWQDJHE-GFCCVEGCSA-N 1 2 284.356 0.959 20 30 CCEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000590162452 359428133 /nfs/dbraw/zinc/42/81/33/359428133.db2.gz IFYLUOIKWQDJHE-GFCCVEGCSA-N 1 2 284.356 0.959 20 30 CCEDLO N#Cc1cccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000590872804 359534088 /nfs/dbraw/zinc/53/40/88/359534088.db2.gz UWALZSZOHNXYJB-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1cccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000590872804 359534091 /nfs/dbraw/zinc/53/40/91/359534091.db2.gz UWALZSZOHNXYJB-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000591060392 359550907 /nfs/dbraw/zinc/55/09/07/359550907.db2.gz UMAUWLIABZSPMC-NXEZZACHSA-N 1 2 273.354 0.552 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000591060392 359550909 /nfs/dbraw/zinc/55/09/09/359550909.db2.gz UMAUWLIABZSPMC-NXEZZACHSA-N 1 2 273.354 0.552 20 30 CCEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCC1(F)F ZINC000591767380 359656357 /nfs/dbraw/zinc/65/63/57/359656357.db2.gz OYJCMCXMOQDJNM-MNOVXSKESA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H]1CCCC1(F)F ZINC000591767380 359656366 /nfs/dbraw/zinc/65/63/66/359656366.db2.gz OYJCMCXMOQDJNM-MNOVXSKESA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H]1CCCC1(F)F ZINC000591767380 359656371 /nfs/dbraw/zinc/65/63/71/359656371.db2.gz OYJCMCXMOQDJNM-MNOVXSKESA-N 1 2 261.316 0.970 20 30 CCEDLO C[C@H](CNc1ncc2c(c1C#N)CCC2)[NH+]1CCOCC1 ZINC000591817766 359661561 /nfs/dbraw/zinc/66/15/61/359661561.db2.gz NTHZIBKFJYNEGB-GFCCVEGCSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592146920 359765783 /nfs/dbraw/zinc/76/57/83/359765783.db2.gz GXWBPVZBVIWUBI-UONOGXRCSA-N 1 2 276.340 0.145 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592146920 359765790 /nfs/dbraw/zinc/76/57/90/359765790.db2.gz GXWBPVZBVIWUBI-UONOGXRCSA-N 1 2 276.340 0.145 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000592148108 359767672 /nfs/dbraw/zinc/76/76/72/359767672.db2.gz VWPMASBLNLUJMO-AWEZNQCLSA-N 1 2 259.309 0.976 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000592148108 359767676 /nfs/dbraw/zinc/76/76/76/359767676.db2.gz VWPMASBLNLUJMO-AWEZNQCLSA-N 1 2 259.309 0.976 20 30 CCEDLO C=C[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000620590348 366539591 /nfs/dbraw/zinc/53/95/91/366539591.db2.gz LBOHGPFDNHEDDR-LLVKDONJSA-N 1 2 259.309 0.848 20 30 CCEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173556 363670363 /nfs/dbraw/zinc/67/03/63/363670363.db2.gz AHWQZJSVMJAXGR-ZDUSSCGKSA-N 1 2 266.389 0.678 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)C(=O)OC ZINC000592510178 359866893 /nfs/dbraw/zinc/86/68/93/359866893.db2.gz AKJFVVNMVFTHNL-VXGBXAGGSA-N 1 2 294.355 0.259 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000593951430 360221251 /nfs/dbraw/zinc/22/12/51/360221251.db2.gz JKBBWISTZZDVOI-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593951430 360221254 /nfs/dbraw/zinc/22/12/54/360221254.db2.gz JKBBWISTZZDVOI-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594273013 360267358 /nfs/dbraw/zinc/26/73/58/360267358.db2.gz LNUDTEWLGQFWDH-LLVKDONJSA-N 1 2 264.329 0.977 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594273013 360267360 /nfs/dbraw/zinc/26/73/60/360267360.db2.gz LNUDTEWLGQFWDH-LLVKDONJSA-N 1 2 264.329 0.977 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)NCC(F)F ZINC000594733065 360369984 /nfs/dbraw/zinc/36/99/84/360369984.db2.gz QIDMAOQWCUBQFO-UHFFFAOYSA-N 1 2 290.314 0.509 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000611516822 363730545 /nfs/dbraw/zinc/73/05/45/363730545.db2.gz LMKBGJRBANMSTI-UONOGXRCSA-N 1 2 278.400 0.773 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595123827 360442095 /nfs/dbraw/zinc/44/20/95/360442095.db2.gz FIWOEAKITYMPFI-CQSZACIVSA-N 1 2 289.339 0.141 20 30 CCEDLO N#Cc1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)nn1 ZINC000611571914 363741403 /nfs/dbraw/zinc/74/14/03/363741403.db2.gz WJNCYLFGWJMAKK-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595426196 360527700 /nfs/dbraw/zinc/52/77/00/360527700.db2.gz OOFYUIDHZKITLT-WFASDCNBSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595426196 360527706 /nfs/dbraw/zinc/52/77/06/360527706.db2.gz OOFYUIDHZKITLT-WFASDCNBSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595426194 360528415 /nfs/dbraw/zinc/52/84/15/360528415.db2.gz OOFYUIDHZKITLT-IUODEOHRSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595426194 360528416 /nfs/dbraw/zinc/52/84/16/360528416.db2.gz OOFYUIDHZKITLT-IUODEOHRSA-N 1 2 293.367 0.776 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547776 360576141 /nfs/dbraw/zinc/57/61/41/360576141.db2.gz RWRDXGJGDHANMA-NOZJJQNGSA-N 1 2 295.343 0.650 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547776 360576148 /nfs/dbraw/zinc/57/61/48/360576148.db2.gz RWRDXGJGDHANMA-NOZJJQNGSA-N 1 2 295.343 0.650 20 30 CCEDLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000595657598 360607125 /nfs/dbraw/zinc/60/71/25/360607125.db2.gz CLMMCPZNNSWFJW-LBPRGKRZSA-N 1 2 267.354 0.988 20 30 CCEDLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000595657598 360607131 /nfs/dbraw/zinc/60/71/31/360607131.db2.gz CLMMCPZNNSWFJW-LBPRGKRZSA-N 1 2 267.354 0.988 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC3CC2(C(=O)OC)C3)C1=O ZINC000595680759 360620233 /nfs/dbraw/zinc/62/02/33/360620233.db2.gz UMAPMXZFBQFTLR-IQLKVPPVSA-N 1 2 264.325 0.411 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC3CC2(C(=O)OC)C3)C1=O ZINC000595680759 360620235 /nfs/dbraw/zinc/62/02/35/360620235.db2.gz UMAPMXZFBQFTLR-IQLKVPPVSA-N 1 2 264.325 0.411 20 30 CCEDLO N#Cc1csc(CN2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000595739844 360635682 /nfs/dbraw/zinc/63/56/82/360635682.db2.gz RAYJSPZVRGSQEX-LBPRGKRZSA-N 1 2 278.381 0.921 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834976 360673532 /nfs/dbraw/zinc/67/35/32/360673532.db2.gz ODWXUFZXAZJLQK-GWCFXTLKSA-N 1 2 266.345 0.845 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834976 360673534 /nfs/dbraw/zinc/67/35/34/360673534.db2.gz ODWXUFZXAZJLQK-GWCFXTLKSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000596692767 360942391 /nfs/dbraw/zinc/94/23/91/360942391.db2.gz AGKUCBOOMUHVSF-VXGBXAGGSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000596893133 360975448 /nfs/dbraw/zinc/97/54/48/360975448.db2.gz FHEDOLHWLXQQHW-JSGCOSHPSA-N 1 2 297.424 0.860 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596785239 360957238 /nfs/dbraw/zinc/95/72/38/360957238.db2.gz KNJWSVACMVNBFE-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596785239 360957242 /nfs/dbraw/zinc/95/72/42/360957242.db2.gz KNJWSVACMVNBFE-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCF ZINC000597019477 360994050 /nfs/dbraw/zinc/99/40/50/360994050.db2.gz BRJYZWJPHNZJDG-UHFFFAOYSA-N 1 2 271.336 0.811 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597135207 361012790 /nfs/dbraw/zinc/01/27/90/361012790.db2.gz IUIMUBLUUJTHSB-LLVKDONJSA-N 1 2 276.340 0.903 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597135207 361012796 /nfs/dbraw/zinc/01/27/96/361012796.db2.gz IUIMUBLUUJTHSB-LLVKDONJSA-N 1 2 276.340 0.903 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000597233888 361038069 /nfs/dbraw/zinc/03/80/69/361038069.db2.gz BYRXPLCCAMAPEN-RYUDHWBXSA-N 1 2 252.362 0.288 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)s1 ZINC000180483353 189257365 /nfs/dbraw/zinc/25/73/65/189257365.db2.gz BXONRRIMFTZZGE-VIFPVBQESA-N 1 2 262.338 0.829 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)s1 ZINC000180483353 189257366 /nfs/dbraw/zinc/25/73/66/189257366.db2.gz BXONRRIMFTZZGE-VIFPVBQESA-N 1 2 262.338 0.829 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597543550 361134280 /nfs/dbraw/zinc/13/42/80/361134280.db2.gz AFOAPIBBZNKLAF-NOZJJQNGSA-N 1 2 262.288 0.979 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597543550 361134282 /nfs/dbraw/zinc/13/42/82/361134282.db2.gz AFOAPIBBZNKLAF-NOZJJQNGSA-N 1 2 262.288 0.979 20 30 CCEDLO C[C@H](CC#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000597646980 361172361 /nfs/dbraw/zinc/17/23/61/361172361.db2.gz IQOVKTGYUBVIGO-JHJVBQTASA-N 1 2 265.357 0.858 20 30 CCEDLO N#C[C@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597738986 361220626 /nfs/dbraw/zinc/22/06/26/361220626.db2.gz SMNZAQNHRBCOSD-CHWSQXEVSA-N 1 2 284.319 0.932 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)C(C)C ZINC000351624471 291261173 /nfs/dbraw/zinc/26/11/73/291261173.db2.gz XZKCZTAFMRANJD-ZDUSSCGKSA-N 1 2 295.383 0.926 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)[C@H](C)CO1 ZINC000598000679 361307140 /nfs/dbraw/zinc/30/71/40/361307140.db2.gz ZCRFXXOPXOLYSJ-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)[C@H](C)CO1 ZINC000598000679 361307149 /nfs/dbraw/zinc/30/71/49/361307149.db2.gz ZCRFXXOPXOLYSJ-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000182471692 189324689 /nfs/dbraw/zinc/32/46/89/189324689.db2.gz HQAROJXQKNZANU-LLVKDONJSA-N 1 2 265.338 0.567 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000182471692 189324690 /nfs/dbraw/zinc/32/46/90/189324690.db2.gz HQAROJXQKNZANU-LLVKDONJSA-N 1 2 265.338 0.567 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC3(CC3)C2)c1C#N ZINC000598653073 361473511 /nfs/dbraw/zinc/47/35/11/361473511.db2.gz QOKSUEOLXAXRSZ-UHFFFAOYSA-N 1 2 287.367 0.984 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000598702699 361491230 /nfs/dbraw/zinc/49/12/30/361491230.db2.gz XXSQOXZAQAESJE-GFCCVEGCSA-N 1 2 265.357 0.498 20 30 CCEDLO COCCOC1C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598702714 361491313 /nfs/dbraw/zinc/49/13/13/361491313.db2.gz YHTGMYNZFDXNQR-LLVKDONJSA-N 1 2 256.346 0.634 20 30 CCEDLO CO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000598836383 361523877 /nfs/dbraw/zinc/52/38/77/361523877.db2.gz IBUNWPRACQGRHD-AAEUAGOBSA-N 1 2 253.346 0.762 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000599047929 361560214 /nfs/dbraw/zinc/56/02/14/361560214.db2.gz DTCPIULITPMFMT-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000599047929 361560218 /nfs/dbraw/zinc/56/02/18/361560218.db2.gz DTCPIULITPMFMT-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000599196293 361607673 /nfs/dbraw/zinc/60/76/73/361607673.db2.gz XXXUOMUYBVXWNA-CYBMUJFWSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000599196293 361607679 /nfs/dbraw/zinc/60/76/79/361607679.db2.gz XXXUOMUYBVXWNA-CYBMUJFWSA-N 1 2 280.372 0.652 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443731 361705714 /nfs/dbraw/zinc/70/57/14/361705714.db2.gz LBFRTYPFDGNKTO-LLVKDONJSA-N 1 2 291.351 0.991 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443731 361705721 /nfs/dbraw/zinc/70/57/21/361705721.db2.gz LBFRTYPFDGNKTO-LLVKDONJSA-N 1 2 291.351 0.991 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599423105 361692744 /nfs/dbraw/zinc/69/27/44/361692744.db2.gz STWNBKRKELWGPM-JTQLQIEISA-N 1 2 273.340 0.719 20 30 CCEDLO CNS(=O)(=O)CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164142 363858662 /nfs/dbraw/zinc/85/86/62/363858662.db2.gz AGZHZJPGPFTXJS-LLVKDONJSA-N 1 2 259.375 0.551 20 30 CCEDLO CNS(=O)(=O)CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164142 363858664 /nfs/dbraw/zinc/85/86/64/363858664.db2.gz AGZHZJPGPFTXJS-LLVKDONJSA-N 1 2 259.375 0.551 20 30 CCEDLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c(C#N)cn1 ZINC000564877170 291310205 /nfs/dbraw/zinc/31/02/05/291310205.db2.gz YGAUBPRBNNAXRJ-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c(C#N)cn1 ZINC000564877170 291310208 /nfs/dbraw/zinc/31/02/08/291310208.db2.gz YGAUBPRBNNAXRJ-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000614686490 364698678 /nfs/dbraw/zinc/69/86/78/364698678.db2.gz GMTUBPYJIJPORU-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000614719309 364709404 /nfs/dbraw/zinc/70/94/04/364709404.db2.gz WNEXXLRCLGWSQB-BZPMIXESSA-N 1 2 268.357 0.245 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564988696 291332085 /nfs/dbraw/zinc/33/20/85/291332085.db2.gz APVATJBTNTURBI-UHFFFAOYSA-N 1 2 272.312 0.121 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564988696 291332087 /nfs/dbraw/zinc/33/20/87/291332087.db2.gz APVATJBTNTURBI-UHFFFAOYSA-N 1 2 272.312 0.121 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615557230 365006630 /nfs/dbraw/zinc/00/66/30/365006630.db2.gz HOQAYCLNNZQOIC-OCCSQVGLSA-N 1 2 268.357 0.247 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000615824060 365096130 /nfs/dbraw/zinc/09/61/30/365096130.db2.gz AMOVNDONIHOBQH-MFKMUULPSA-N 1 2 262.288 0.910 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616506097 365348221 /nfs/dbraw/zinc/34/82/21/365348221.db2.gz RQOLMTDDFWXWJJ-IJLUTSLNSA-N 1 2 261.325 0.414 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616862040 365462692 /nfs/dbraw/zinc/46/26/92/365462692.db2.gz YKSYXHAZNDEQSG-VHSXEESVSA-N 1 2 267.329 0.143 20 30 CCEDLO C=CCOCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616869029 365466257 /nfs/dbraw/zinc/46/62/57/365466257.db2.gz ZLWVUZVHHFOSDC-GFCCVEGCSA-N 1 2 281.356 0.799 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1=O ZINC000684940235 545764811 /nfs/dbraw/zinc/76/48/11/545764811.db2.gz LUPJWTZFQWWQBD-ZDUSSCGKSA-N 1 2 290.367 0.909 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255230 367491191 /nfs/dbraw/zinc/49/11/91/367491191.db2.gz WMQJFXYKKWLGCQ-AAEUAGOBSA-N 1 2 276.340 0.395 20 30 CCEDLO Cc1onc(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000330732078 203164555 /nfs/dbraw/zinc/16/45/55/203164555.db2.gz JNOUYWFMZMWONZ-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO C=C[C@H](O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628824776 369409683 /nfs/dbraw/zinc/40/96/83/369409683.db2.gz MQGLTHCMPBKFKB-NSHDSACASA-N 1 2 278.356 0.405 20 30 CCEDLO C=CCCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632288054 370963180 /nfs/dbraw/zinc/96/31/80/370963180.db2.gz DYEBEVBCFMHSGD-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632288054 370963185 /nfs/dbraw/zinc/96/31/85/370963185.db2.gz DYEBEVBCFMHSGD-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC000635892300 373061798 /nfs/dbraw/zinc/06/17/98/373061798.db2.gz WPFUISCFBYSKIC-NQBHXWOUSA-N 1 2 288.351 0.759 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC000635892300 373061801 /nfs/dbraw/zinc/06/18/01/373061801.db2.gz WPFUISCFBYSKIC-NQBHXWOUSA-N 1 2 288.351 0.759 20 30 CCEDLO C=CCCOCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636826086 373776320 /nfs/dbraw/zinc/77/63/20/373776320.db2.gz IFEVBKKCZJMKEV-UHFFFAOYSA-N 1 2 280.328 0.077 20 30 CCEDLO C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@H](C)COC ZINC000656540967 412818854 /nfs/dbraw/zinc/81/88/54/412818854.db2.gz BZSLWAQWZPLZJG-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)CC)nn1 ZINC000640903833 376608654 /nfs/dbraw/zinc/60/86/54/376608654.db2.gz PLDZUMGICBTPPI-VXGBXAGGSA-N 1 2 277.372 0.867 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(C)no2)nn1 ZINC000640898609 376604939 /nfs/dbraw/zinc/60/49/39/376604939.db2.gz KVJMITRSLLZVEI-UHFFFAOYSA-N 1 2 288.311 0.326 20 30 CCEDLO C=CCCCn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640936184 376627603 /nfs/dbraw/zinc/62/76/03/376627603.db2.gz QEGBTWDXVFMZDB-LLVKDONJSA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOCCOC)nn1 ZINC000640939884 376629437 /nfs/dbraw/zinc/62/94/37/376629437.db2.gz YIQGAWFSLRXLAR-UHFFFAOYSA-N 1 2 252.318 0.054 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOC2CCOCC2)nn1 ZINC000641124598 376798330 /nfs/dbraw/zinc/79/83/30/376798330.db2.gz DLSTUWWJDGPFNI-UHFFFAOYSA-N 1 2 278.356 0.587 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncc(O)c2)CC1 ZINC000264825605 190137513 /nfs/dbraw/zinc/13/75/13/190137513.db2.gz ICYZCUOODNAYHE-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC000264932929 190145887 /nfs/dbraw/zinc/14/58/87/190145887.db2.gz SUSKPOROUFYTOC-AWEZNQCLSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC000264932929 190145888 /nfs/dbraw/zinc/14/58/88/190145888.db2.gz SUSKPOROUFYTOC-AWEZNQCLSA-N 1 2 293.411 0.706 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459669123 249050892 /nfs/dbraw/zinc/05/08/92/249050892.db2.gz CJRAMRIGDBYSMR-AAEUAGOBSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459669123 249050894 /nfs/dbraw/zinc/05/08/94/249050894.db2.gz CJRAMRIGDBYSMR-AAEUAGOBSA-N 1 2 266.728 0.997 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC000574766040 335046096 /nfs/dbraw/zinc/04/60/96/335046096.db2.gz BOHILANUFIRBTJ-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO Cc1ccc(NC(=O)NCCn2cnc(C#N)n2)c(C)[nH+]1 ZINC000288977453 197204614 /nfs/dbraw/zinc/20/46/14/197204614.db2.gz DHHOQTCJDIFCJT-UHFFFAOYSA-N 1 2 285.311 0.983 20 30 CCEDLO CC#CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000283266914 388763688 /nfs/dbraw/zinc/76/36/88/388763688.db2.gz RIPZMPCPUGTLKS-SNVBAGLBSA-N 1 2 251.355 0.645 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000186192048 388826710 /nfs/dbraw/zinc/82/67/10/388826710.db2.gz QVPOQAFWXGCHEU-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000186192048 388826713 /nfs/dbraw/zinc/82/67/13/388826713.db2.gz QVPOQAFWXGCHEU-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO CC#CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000119494179 262274377 /nfs/dbraw/zinc/27/43/77/262274377.db2.gz ZRZKIQAVOYMWSO-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO CC#CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000119494179 262274380 /nfs/dbraw/zinc/27/43/80/262274380.db2.gz ZRZKIQAVOYMWSO-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C[C@]1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCOC1=O ZINC000289572493 388873944 /nfs/dbraw/zinc/87/39/44/388873944.db2.gz OMWCHJNOCWPOSX-WFASDCNBSA-N 1 2 290.319 0.593 20 30 CCEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000044740340 388872111 /nfs/dbraw/zinc/87/21/11/388872111.db2.gz PPPMRQUAEGFNBB-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CSC)[C@@H]1CCS(=O)(=O)C1 ZINC000188058364 388911273 /nfs/dbraw/zinc/91/12/73/388911273.db2.gz NNJPONSHXWPPDU-GHMZBOCLSA-N 1 2 279.427 0.385 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CSC)[C@@H]1CCS(=O)(=O)C1 ZINC000188058364 388911276 /nfs/dbraw/zinc/91/12/76/388911276.db2.gz NNJPONSHXWPPDU-GHMZBOCLSA-N 1 2 279.427 0.385 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000049238721 388917930 /nfs/dbraw/zinc/91/79/30/388917930.db2.gz RQHLYFRDHXYGCO-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000049238721 388917933 /nfs/dbraw/zinc/91/79/33/388917933.db2.gz RQHLYFRDHXYGCO-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000056509000 388931642 /nfs/dbraw/zinc/93/16/42/388931642.db2.gz LRINWCBMSZDJFY-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000056509000 388931644 /nfs/dbraw/zinc/93/16/44/388931644.db2.gz LRINWCBMSZDJFY-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(=O)OC ZINC000057906446 388934253 /nfs/dbraw/zinc/93/42/53/388934253.db2.gz RVEJCIKBPDFWRX-RISCZKNCSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CC[N@@H+](CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538180 388945396 /nfs/dbraw/zinc/94/53/96/388945396.db2.gz JDVUYUPIBLHVTE-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538180 388945397 /nfs/dbraw/zinc/94/53/97/388945397.db2.gz JDVUYUPIBLHVTE-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000293201078 388981211 /nfs/dbraw/zinc/98/12/11/388981211.db2.gz UQANHGFKTBQJRX-MNOVXSKESA-N 1 2 264.329 0.397 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000293201078 388981216 /nfs/dbraw/zinc/98/12/16/388981216.db2.gz UQANHGFKTBQJRX-MNOVXSKESA-N 1 2 264.329 0.397 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191217080 389008796 /nfs/dbraw/zinc/00/87/96/389008796.db2.gz FZZVRXNRARBNGX-NTZNESFSSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191217080 389008797 /nfs/dbraw/zinc/00/87/97/389008797.db2.gz FZZVRXNRARBNGX-NTZNESFSSA-N 1 2 266.341 0.562 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000354357062 389021411 /nfs/dbraw/zinc/02/14/11/389021411.db2.gz BCJQBNGASGEXNC-AWEZNQCLSA-N 1 2 283.372 0.079 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301192875 389048537 /nfs/dbraw/zinc/04/85/37/389048537.db2.gz ITOHQIHVATUSRG-UHFFFAOYSA-N 1 2 290.342 0.955 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc3nccnc3n2)CC1 ZINC000301237670 389049077 /nfs/dbraw/zinc/04/90/77/389049077.db2.gz IKTQFXCWULSTJR-UHFFFAOYSA-N 1 2 253.309 0.780 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@H](COC)C2)C1=O ZINC000337205492 389055262 /nfs/dbraw/zinc/05/52/62/389055262.db2.gz KSPHFMZGLBUINP-AGIUHOORSA-N 1 2 268.357 0.509 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@H](COC)C2)C1=O ZINC000337205492 389055265 /nfs/dbraw/zinc/05/52/65/389055265.db2.gz KSPHFMZGLBUINP-AGIUHOORSA-N 1 2 268.357 0.509 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000103147109 389076276 /nfs/dbraw/zinc/07/62/76/389076276.db2.gz HYNLXFGTASXVJF-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000103147109 389076280 /nfs/dbraw/zinc/07/62/80/389076280.db2.gz HYNLXFGTASXVJF-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O)CC2)cc1 ZINC000304165727 389081944 /nfs/dbraw/zinc/08/19/44/389081944.db2.gz PJOUVNKNMYGZSM-ZDUSSCGKSA-N 1 2 259.309 0.541 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328929731 389145509 /nfs/dbraw/zinc/14/55/09/389145509.db2.gz HFMMDOUQPYHOMU-GFCCVEGCSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328929731 389145512 /nfs/dbraw/zinc/14/55/12/389145512.db2.gz HFMMDOUQPYHOMU-GFCCVEGCSA-N 1 2 285.388 0.384 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc[nH+]1 ZINC000328986021 389148561 /nfs/dbraw/zinc/14/85/61/389148561.db2.gz GVZDHYLBOJTUPN-LLVKDONJSA-N 1 2 283.353 0.715 20 30 CCEDLO C=CCCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357015488 389130201 /nfs/dbraw/zinc/13/02/01/389130201.db2.gz WYHZDGJVZHHETM-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357015488 389130205 /nfs/dbraw/zinc/13/02/05/389130205.db2.gz WYHZDGJVZHHETM-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858526 389131655 /nfs/dbraw/zinc/13/16/55/389131655.db2.gz YRGVGOYTINWFPR-GXTWGEPZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858526 389131657 /nfs/dbraw/zinc/13/16/57/389131657.db2.gz YRGVGOYTINWFPR-GXTWGEPZSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328681811 389131747 /nfs/dbraw/zinc/13/17/47/389131747.db2.gz OIRYKTFOSLKTHF-INTQDDNPSA-N 1 2 283.328 0.507 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328681811 389131750 /nfs/dbraw/zinc/13/17/50/389131750.db2.gz OIRYKTFOSLKTHF-INTQDDNPSA-N 1 2 283.328 0.507 20 30 CCEDLO CN1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC1=O ZINC000328678718 389132048 /nfs/dbraw/zinc/13/20/48/389132048.db2.gz MPLPTVOXXSTHAR-SNVBAGLBSA-N 1 2 269.345 0.284 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328734492 389134650 /nfs/dbraw/zinc/13/46/50/389134650.db2.gz IKVYMKZIVQIZBR-XQHKEYJVSA-N 1 2 284.356 0.610 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328734492 389134651 /nfs/dbraw/zinc/13/46/51/389134651.db2.gz IKVYMKZIVQIZBR-XQHKEYJVSA-N 1 2 284.356 0.610 20 30 CCEDLO Cc1cncc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000328861107 389141438 /nfs/dbraw/zinc/14/14/38/389141438.db2.gz ZEUXCUGGWRRJBN-AWEZNQCLSA-N 1 2 291.399 0.639 20 30 CCEDLO Cc1cncc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000328861107 389141440 /nfs/dbraw/zinc/14/14/40/389141440.db2.gz ZEUXCUGGWRRJBN-AWEZNQCLSA-N 1 2 291.399 0.639 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](O)C1 ZINC000329632566 389179560 /nfs/dbraw/zinc/17/95/60/389179560.db2.gz RWMKDFNTKWNNAV-UWVGGRQHSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](O)C1 ZINC000329632566 389179563 /nfs/dbraw/zinc/17/95/63/389179563.db2.gz RWMKDFNTKWNNAV-UWVGGRQHSA-N 1 2 264.329 0.638 20 30 CCEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329659615 389183438 /nfs/dbraw/zinc/18/34/38/389183438.db2.gz HVQPROPMLBDHAO-RYUDHWBXSA-N 1 2 291.355 0.470 20 30 CCEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329659615 389183440 /nfs/dbraw/zinc/18/34/40/389183440.db2.gz HVQPROPMLBDHAO-RYUDHWBXSA-N 1 2 291.355 0.470 20 30 CCEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NCC#N ZINC000359882155 389185225 /nfs/dbraw/zinc/18/52/25/389185225.db2.gz YKTKXGKWIDQPFM-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NCC#N ZINC000359882155 389185226 /nfs/dbraw/zinc/18/52/26/389185226.db2.gz YKTKXGKWIDQPFM-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000359917599 389186496 /nfs/dbraw/zinc/18/64/96/389186496.db2.gz NTSIYGFJZOUVBJ-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1nncs1 ZINC000329680178 389187110 /nfs/dbraw/zinc/18/71/10/389187110.db2.gz XSCWFQJLNCSZML-YIZRAAEISA-N 1 2 268.342 0.829 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1nncs1 ZINC000329680178 389187114 /nfs/dbraw/zinc/18/71/14/389187114.db2.gz XSCWFQJLNCSZML-YIZRAAEISA-N 1 2 268.342 0.829 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CCCC#N)CC1 ZINC000360032790 389187826 /nfs/dbraw/zinc/18/78/26/389187826.db2.gz LONAVMZAVNLMRR-UHFFFAOYSA-N 1 2 281.356 0.778 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)CCCC#N)CC1 ZINC000360032790 389187830 /nfs/dbraw/zinc/18/78/30/389187830.db2.gz LONAVMZAVNLMRR-UHFFFAOYSA-N 1 2 281.356 0.778 20 30 CCEDLO C=CCCOCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000122599427 389152163 /nfs/dbraw/zinc/15/21/63/389152163.db2.gz RZGPIFLFGQXWNT-UHFFFAOYSA-N 1 2 285.388 0.553 20 30 CCEDLO Cc1nc(N(C)C)nc(NCC(=O)NCC2CC2)[nH+]1 ZINC000329422133 389163144 /nfs/dbraw/zinc/16/31/44/389163144.db2.gz FOXNDNYADSDJSD-UHFFFAOYSA-N 1 2 264.333 0.446 20 30 CCEDLO Cc1nc(NCC(=O)NCC2CC2)nc(N(C)C)[nH+]1 ZINC000329422133 389163148 /nfs/dbraw/zinc/16/31/48/389163148.db2.gz FOXNDNYADSDJSD-UHFFFAOYSA-N 1 2 264.333 0.446 20 30 CCEDLO CN1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000329468447 389165939 /nfs/dbraw/zinc/16/59/39/389165939.db2.gz XIPXGNJERAKCMT-DGCLKSJQSA-N 1 2 295.383 0.817 20 30 CCEDLO CN1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000329468447 389165941 /nfs/dbraw/zinc/16/59/41/389165941.db2.gz XIPXGNJERAKCMT-DGCLKSJQSA-N 1 2 295.383 0.817 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000359087034 389166882 /nfs/dbraw/zinc/16/68/82/389166882.db2.gz ILSGYJPNMYAEIU-ZIAGYGMSSA-N 1 2 283.416 0.720 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCCOC2)CC1 ZINC000329532384 389169470 /nfs/dbraw/zinc/16/94/70/389169470.db2.gz XDLHODWKMLZTSO-OAHLLOKOSA-N 1 2 297.399 0.924 20 30 CCEDLO CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[C@H]1O ZINC000329542865 389170619 /nfs/dbraw/zinc/17/06/19/389170619.db2.gz NVKNOBCUCSBWCM-QJPTWQEYSA-N 1 2 278.356 0.957 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1CO ZINC000329603050 389174854 /nfs/dbraw/zinc/17/48/54/389174854.db2.gz GENPCZRTODHJBG-BREBYQMCSA-N 1 2 278.356 0.884 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1CO ZINC000329603050 389174855 /nfs/dbraw/zinc/17/48/55/389174855.db2.gz GENPCZRTODHJBG-BREBYQMCSA-N 1 2 278.356 0.884 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCOC3)C[C@@H]21 ZINC000329631467 389179271 /nfs/dbraw/zinc/17/92/71/389179271.db2.gz VWVRYOVFWHOHDA-RWMBFGLXSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCOC3)C[C@@H]21 ZINC000329631467 389179273 /nfs/dbraw/zinc/17/92/73/389179273.db2.gz VWVRYOVFWHOHDA-RWMBFGLXSA-N 1 2 283.372 0.342 20 30 CCEDLO N#CC1(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)CC1 ZINC000343316307 389264103 /nfs/dbraw/zinc/26/41/03/389264103.db2.gz RYYNCKHUVVFKOR-SECBINFHSA-N 1 2 266.263 0.898 20 30 CCEDLO N#CC1(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)CC1 ZINC000343316307 389264105 /nfs/dbraw/zinc/26/41/05/389264105.db2.gz RYYNCKHUVVFKOR-SECBINFHSA-N 1 2 266.263 0.898 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131190460 389209881 /nfs/dbraw/zinc/20/98/81/389209881.db2.gz VYVYEHQTCYORHI-LLVKDONJSA-N 1 2 282.388 0.580 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131190460 389209883 /nfs/dbraw/zinc/20/98/83/389209883.db2.gz VYVYEHQTCYORHI-LLVKDONJSA-N 1 2 282.388 0.580 20 30 CCEDLO CC(=O)NC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329924328 389211641 /nfs/dbraw/zinc/21/16/41/389211641.db2.gz UWSDLRBDELPLSO-SNVBAGLBSA-N 1 2 262.313 0.633 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329925464 389211724 /nfs/dbraw/zinc/21/17/24/389211724.db2.gz JVHOXXWBMVTDBH-QWRGUYRKSA-N 1 2 280.328 0.852 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329925464 389211726 /nfs/dbraw/zinc/21/17/26/389211726.db2.gz JVHOXXWBMVTDBH-QWRGUYRKSA-N 1 2 280.328 0.852 20 30 CCEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCC#N)C[C@H](C)O1 ZINC000246165701 389224784 /nfs/dbraw/zinc/22/47/84/389224784.db2.gz WRBMBFMDMBJJNV-HZSPNIEDSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)NCC#N)C[C@H](C)O1 ZINC000246165701 389224787 /nfs/dbraw/zinc/22/47/87/389224787.db2.gz WRBMBFMDMBJJNV-HZSPNIEDSA-N 1 2 294.399 0.200 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000364450146 389266011 /nfs/dbraw/zinc/26/60/11/389266011.db2.gz UPOGLGRNPSVPLX-KBPBESRZSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000364450146 389266016 /nfs/dbraw/zinc/26/60/16/389266016.db2.gz UPOGLGRNPSVPLX-KBPBESRZSA-N 1 2 287.319 0.728 20 30 CCEDLO COCCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330456443 389231505 /nfs/dbraw/zinc/23/15/05/389231505.db2.gz XRMFGQCXAQZQMP-UHFFFAOYSA-N 1 2 273.377 0.589 20 30 CCEDLO COCCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330456443 389231507 /nfs/dbraw/zinc/23/15/07/389231507.db2.gz XRMFGQCXAQZQMP-UHFFFAOYSA-N 1 2 273.377 0.589 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000330486443 389234804 /nfs/dbraw/zinc/23/48/04/389234804.db2.gz FBIIOYKHABYGHX-SECBINFHSA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000330486443 389234807 /nfs/dbraw/zinc/23/48/07/389234807.db2.gz FBIIOYKHABYGHX-SECBINFHSA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330486443 389234811 /nfs/dbraw/zinc/23/48/11/389234811.db2.gz FBIIOYKHABYGHX-SECBINFHSA-N 1 2 266.301 0.257 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330486443 389234813 /nfs/dbraw/zinc/23/48/13/389234813.db2.gz FBIIOYKHABYGHX-SECBINFHSA-N 1 2 266.301 0.257 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247091395 389236320 /nfs/dbraw/zinc/23/63/20/389236320.db2.gz JMKPKZKQPRNBHY-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247091395 389236323 /nfs/dbraw/zinc/23/63/23/389236323.db2.gz JMKPKZKQPRNBHY-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO CC#CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247141752 389237182 /nfs/dbraw/zinc/23/71/82/389237182.db2.gz ZRZKIQAVOYMWSO-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO CC#CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247141752 389237184 /nfs/dbraw/zinc/23/71/84/389237184.db2.gz ZRZKIQAVOYMWSO-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CCCCC1 ZINC000330536671 389239106 /nfs/dbraw/zinc/23/91/06/389239106.db2.gz WYDZPIYNTOPCNS-NSHDSACASA-N 1 2 293.371 0.486 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CCCCC1 ZINC000330536671 389239109 /nfs/dbraw/zinc/23/91/09/389239109.db2.gz WYDZPIYNTOPCNS-NSHDSACASA-N 1 2 293.371 0.486 20 30 CCEDLO CC#CCC[NH+]1CCN(S(=O)(=O)CCCOC)CC1 ZINC000156504630 389326197 /nfs/dbraw/zinc/32/61/97/389326197.db2.gz SYAHUXFIMFDDAX-UHFFFAOYSA-N 1 2 288.413 0.384 20 30 CCEDLO C[C@@H](NC(=O)NCCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000343764142 389272180 /nfs/dbraw/zinc/27/21/80/389272180.db2.gz UXLBLKCMZVBJKU-NEPJUHHUSA-N 1 2 268.361 0.699 20 30 CCEDLO Cc1cc(=NC(=O)NCc2[nH]cc[nH+]2)[nH]n1CCC#N ZINC000348179638 389367223 /nfs/dbraw/zinc/36/72/23/389367223.db2.gz ICLXKMYOGNXUKB-UHFFFAOYSA-N 1 2 273.300 0.572 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411124372 389416956 /nfs/dbraw/zinc/41/69/56/389416956.db2.gz HHBHOZZPLDSWPU-GFCCVEGCSA-N 1 2 280.372 0.347 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412080504 389474963 /nfs/dbraw/zinc/47/49/63/389474963.db2.gz RBHZFHAOHJGGPT-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412080504 389474968 /nfs/dbraw/zinc/47/49/68/389474968.db2.gz RBHZFHAOHJGGPT-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCN(CCOC)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413270464 389487249 /nfs/dbraw/zinc/48/72/49/389487249.db2.gz VMBZTKCSAZRXHO-NSHDSACASA-N 1 2 266.345 0.908 20 30 CCEDLO C=CCN(CCOC)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413270464 389487252 /nfs/dbraw/zinc/48/72/52/389487252.db2.gz VMBZTKCSAZRXHO-NSHDSACASA-N 1 2 266.345 0.908 20 30 CCEDLO C#CC[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269633426 389424100 /nfs/dbraw/zinc/42/41/00/389424100.db2.gz IEWVIFCSRCWZAE-NSHDSACASA-N 1 2 256.313 0.268 20 30 CCEDLO C#CC[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269633426 389424104 /nfs/dbraw/zinc/42/41/04/389424104.db2.gz IEWVIFCSRCWZAE-NSHDSACASA-N 1 2 256.313 0.268 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000349798022 389437491 /nfs/dbraw/zinc/43/74/91/389437491.db2.gz HOEPSMXBIYKCLX-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO N#Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)s1 ZINC000350396946 389508881 /nfs/dbraw/zinc/50/88/81/389508881.db2.gz XVAPRUJPQNOIHZ-UHFFFAOYSA-N 1 2 262.294 0.996 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000174215869 389516589 /nfs/dbraw/zinc/51/65/89/389516589.db2.gz QOVBHRZOOGQBHK-UHFFFAOYSA-N 1 2 251.286 0.468 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000350667116 389531265 /nfs/dbraw/zinc/53/12/65/389531265.db2.gz AELAEALTKCRYHX-UHFFFAOYSA-N 1 2 297.318 0.370 20 30 CCEDLO N#C[C@H]1COCCN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177113069 389572048 /nfs/dbraw/zinc/57/20/48/389572048.db2.gz KXMHMXSXVMEUSY-ZDUSSCGKSA-N 1 2 269.308 0.992 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)C1CC1 ZINC000274219207 389500725 /nfs/dbraw/zinc/50/07/25/389500725.db2.gz UXQCFEFPJROCIF-ZDUSSCGKSA-N 1 2 292.379 0.886 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)C1CC1 ZINC000274219207 389500727 /nfs/dbraw/zinc/50/07/27/389500727.db2.gz UXQCFEFPJROCIF-ZDUSSCGKSA-N 1 2 292.379 0.886 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000281262838 389612061 /nfs/dbraw/zinc/61/20/61/389612061.db2.gz GZQFGWWYVLRSHP-GFCCVEGCSA-N 1 2 296.415 0.932 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2 ZINC000374584370 389591151 /nfs/dbraw/zinc/59/11/51/389591151.db2.gz LCFNFVQHVUCMHW-LLVKDONJSA-N 1 2 297.384 0.486 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178141051 389598681 /nfs/dbraw/zinc/59/86/81/389598681.db2.gz WKBXVEUPTMKCEZ-JTQLQIEISA-N 1 2 275.308 0.470 20 30 CCEDLO C[C@@H](NC(=O)NC[C@H](C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000182646468 389713025 /nfs/dbraw/zinc/71/30/25/389713025.db2.gz YZVUVPLBBDAFRR-IJLUTSLNSA-N 1 2 268.361 0.554 20 30 CCEDLO C=C(C)C[N@@H+](C)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000181250516 389683308 /nfs/dbraw/zinc/68/33/08/389683308.db2.gz GTOLPZMDPHDTTO-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)C[N@H+](C)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000181250516 389683312 /nfs/dbraw/zinc/68/33/12/389683312.db2.gz GTOLPZMDPHDTTO-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCCS(=O)(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416608297 389759622 /nfs/dbraw/zinc/75/96/22/389759622.db2.gz JQZLRGMAJNDIKX-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000352335478 389791748 /nfs/dbraw/zinc/79/17/48/389791748.db2.gz YHAACEWXUMNDKJ-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000428981009 389730595 /nfs/dbraw/zinc/73/05/95/389730595.db2.gz WGHJEOUGKBMKEL-CQSZACIVSA-N 1 2 277.299 0.510 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000428981009 389730599 /nfs/dbraw/zinc/73/05/99/389730599.db2.gz WGHJEOUGKBMKEL-CQSZACIVSA-N 1 2 277.299 0.510 20 30 CCEDLO CC[C@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000416397272 389738569 /nfs/dbraw/zinc/73/85/69/389738569.db2.gz IQFVCQXJWRNYTC-RYUDHWBXSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000416397272 389738570 /nfs/dbraw/zinc/73/85/70/389738570.db2.gz IQFVCQXJWRNYTC-RYUDHWBXSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000416429173 389741897 /nfs/dbraw/zinc/74/18/97/389741897.db2.gz UYRQGACGWGIIRI-PWSUYJOCSA-N 1 2 281.337 0.777 20 30 CCEDLO C[C@H](C(=O)N(C)[C@@H](C)CC#N)[NH+]1CCN(C)CC1 ZINC000408204733 389835137 /nfs/dbraw/zinc/83/51/37/389835137.db2.gz OQYCLGQJCURJSF-NWDGAFQWSA-N 1 2 252.362 0.383 20 30 CCEDLO CN(C)c1[nH+]cccc1NC(=O)CNc1ccc(C#N)cn1 ZINC000442647716 389852433 /nfs/dbraw/zinc/85/24/33/389852433.db2.gz JFOGMMOECRHWAS-UHFFFAOYSA-N 1 2 296.334 0.887 20 30 CCEDLO CC[C@H](NC(=O)CNc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000442794352 389863100 /nfs/dbraw/zinc/86/31/00/389863100.db2.gz ADUBTBYNWXUDRY-NSHDSACASA-N 1 2 284.323 0.778 20 30 CCEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000336806431 262395574 /nfs/dbraw/zinc/39/55/74/262395574.db2.gz ZHBFDBJJXPGFDL-UHFFFAOYSA-N 1 2 288.417 0.528 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433313703 389908278 /nfs/dbraw/zinc/90/82/78/389908278.db2.gz RPEKMMJSHMAWCP-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433313703 389908279 /nfs/dbraw/zinc/90/82/79/389908279.db2.gz RPEKMMJSHMAWCP-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C#N)CN(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000336804900 262395751 /nfs/dbraw/zinc/39/57/51/262395751.db2.gz NNRZCVWYPPHXIZ-JSGCOSHPSA-N 1 2 267.373 0.304 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C)C[C@@H](C)C#N)nn1 ZINC000446829071 389941780 /nfs/dbraw/zinc/94/17/80/389941780.db2.gz CTFVNXZFGRUCFT-JTQLQIEISA-N 1 2 265.317 0.085 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C)C[C@@H](C)C#N)nn1 ZINC000446829071 389941781 /nfs/dbraw/zinc/94/17/81/389941781.db2.gz CTFVNXZFGRUCFT-JTQLQIEISA-N 1 2 265.317 0.085 20 30 CCEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CC#N)C1 ZINC000440502649 390037984 /nfs/dbraw/zinc/03/79/84/390037984.db2.gz GQGJQZWTUDZJJU-CYBMUJFWSA-N 1 2 253.346 0.906 20 30 CCEDLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)ncc1C#N ZINC000457381212 390041636 /nfs/dbraw/zinc/04/16/36/390041636.db2.gz HLZBCWAPLJNEKV-UHFFFAOYSA-N 1 2 274.324 0.324 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000448877711 389991287 /nfs/dbraw/zinc/99/12/87/389991287.db2.gz JFWVXLHZOXEAIQ-OLZOCXBDSA-N 1 2 268.357 0.368 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cncc(C#N)n2)C1 ZINC000420645963 390019988 /nfs/dbraw/zinc/01/99/88/390019988.db2.gz ZNBWOFDSIYFXON-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cncc(C#N)n2)C1 ZINC000420645963 390019990 /nfs/dbraw/zinc/01/99/90/390019990.db2.gz ZNBWOFDSIYFXON-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488998918 390097305 /nfs/dbraw/zinc/09/73/05/390097305.db2.gz YNYNAASWOZWRRC-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488998918 390097306 /nfs/dbraw/zinc/09/73/06/390097306.db2.gz YNYNAASWOZWRRC-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C1CC1 ZINC000491454581 390113651 /nfs/dbraw/zinc/11/36/51/390113651.db2.gz ZWPYIEVCCYHWSW-UHFFFAOYSA-N 1 2 287.319 0.904 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C1CC1 ZINC000491454581 390113652 /nfs/dbraw/zinc/11/36/52/390113652.db2.gz ZWPYIEVCCYHWSW-UHFFFAOYSA-N 1 2 287.319 0.904 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000491494493 390114149 /nfs/dbraw/zinc/11/41/49/390114149.db2.gz CYCULSPWEDQACZ-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000491647179 390115449 /nfs/dbraw/zinc/11/54/49/390115449.db2.gz WVBBCHRSNYMGAB-SKDRFNHKSA-N 1 2 267.354 0.325 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000491647179 390115450 /nfs/dbraw/zinc/11/54/50/390115450.db2.gz WVBBCHRSNYMGAB-SKDRFNHKSA-N 1 2 267.354 0.325 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000493953864 390136805 /nfs/dbraw/zinc/13/68/05/390136805.db2.gz XLDHWMXDGCZAIY-CMPLNLGQSA-N 1 2 253.346 0.723 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000493953864 390136807 /nfs/dbraw/zinc/13/68/07/390136807.db2.gz XLDHWMXDGCZAIY-CMPLNLGQSA-N 1 2 253.346 0.723 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216201 390158699 /nfs/dbraw/zinc/15/86/99/390158699.db2.gz MZONXUQNLXMSIS-JSGCOSHPSA-N 1 2 297.399 0.333 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494216201 390158704 /nfs/dbraw/zinc/15/87/04/390158704.db2.gz MZONXUQNLXMSIS-JSGCOSHPSA-N 1 2 297.399 0.333 20 30 CCEDLO CCO[C@@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000536300427 390159870 /nfs/dbraw/zinc/15/98/70/390159870.db2.gz JPPUTTVRUKXDIU-VIFPVBQESA-N 1 2 279.344 0.219 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494314459 390164788 /nfs/dbraw/zinc/16/47/88/390164788.db2.gz KFSFXHOZXBSHKU-RYUDHWBXSA-N 1 2 294.355 0.273 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494314459 390164790 /nfs/dbraw/zinc/16/47/90/390164790.db2.gz KFSFXHOZXBSHKU-RYUDHWBXSA-N 1 2 294.355 0.273 20 30 CCEDLO COC(=O)C[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579361358 390165626 /nfs/dbraw/zinc/16/56/26/390165626.db2.gz SUWIJHGQMOXBAX-GXFFZTMASA-N 1 2 269.345 0.536 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC000644718396 390292022 /nfs/dbraw/zinc/29/20/22/390292022.db2.gz XDCWMCOJAKGZJD-NSHDSACASA-N 1 2 286.339 0.796 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000562100875 390488358 /nfs/dbraw/zinc/48/83/58/390488358.db2.gz VPAKEVUPQQXCSA-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000562100875 390488361 /nfs/dbraw/zinc/48/83/61/390488361.db2.gz VPAKEVUPQQXCSA-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nn1 ZINC000648921661 390445583 /nfs/dbraw/zinc/44/55/83/390445583.db2.gz DYLAWWSVFVXXEB-TXEJJXNPSA-N 1 2 291.355 0.057 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nn1 ZINC000648921661 390445585 /nfs/dbraw/zinc/44/55/85/390445585.db2.gz DYLAWWSVFVXXEB-TXEJJXNPSA-N 1 2 291.355 0.057 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000649184969 390514644 /nfs/dbraw/zinc/51/46/44/390514644.db2.gz UWMAYMGLYXXBLM-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000514914755 390470806 /nfs/dbraw/zinc/47/08/06/390470806.db2.gz WCIDXTXKVYVVOP-FQUUOJAGSA-N 1 2 297.399 0.738 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033670 390578332 /nfs/dbraw/zinc/57/83/32/390578332.db2.gz NXMLSMUBJKXOBF-GFCCVEGCSA-N 1 2 259.371 0.842 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646033670 390578334 /nfs/dbraw/zinc/57/83/34/390578334.db2.gz NXMLSMUBJKXOBF-GFCCVEGCSA-N 1 2 259.371 0.842 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000646680407 390708080 /nfs/dbraw/zinc/70/80/80/390708080.db2.gz GWFSALYMXWBKDR-DGCLKSJQSA-N 1 2 291.351 0.470 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C#N)cn1 ZINC000570846614 390721550 /nfs/dbraw/zinc/72/15/50/390721550.db2.gz AVIPIYZNAFCHJF-CYBMUJFWSA-N 1 2 257.297 0.527 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCNC(C)=O ZINC000567164721 390676303 /nfs/dbraw/zinc/67/63/03/390676303.db2.gz WJVZZNJXEKPYCK-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000567164721 390676306 /nfs/dbraw/zinc/67/63/06/390676306.db2.gz WJVZZNJXEKPYCK-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646576634 390696663 /nfs/dbraw/zinc/69/66/63/390696663.db2.gz YRUMFEWQNCLVOP-CABCVRRESA-N 1 2 290.363 0.551 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646576634 390696666 /nfs/dbraw/zinc/69/66/66/390696666.db2.gz YRUMFEWQNCLVOP-CABCVRRESA-N 1 2 290.363 0.551 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000528341589 390738758 /nfs/dbraw/zinc/73/87/58/390738758.db2.gz WSRXDZYKCDBQNC-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000528341589 390738759 /nfs/dbraw/zinc/73/87/59/390738759.db2.gz WSRXDZYKCDBQNC-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000571639286 390745840 /nfs/dbraw/zinc/74/58/40/390745840.db2.gz UMZVMBPWNOZVOR-CYBMUJFWSA-N 1 2 274.324 0.153 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000571639286 390745842 /nfs/dbraw/zinc/74/58/42/390745842.db2.gz UMZVMBPWNOZVOR-CYBMUJFWSA-N 1 2 274.324 0.153 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000646952729 390747823 /nfs/dbraw/zinc/74/78/23/390747823.db2.gz HKQALRVERKTVTM-LBPRGKRZSA-N 1 2 289.335 0.527 20 30 CCEDLO C=CCNC(=S)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729647893 581608580 /nfs/dbraw/zinc/60/85/80/581608580.db2.gz PDLGTAFJHHOLST-MNOVXSKESA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270919869 134458645 /nfs/dbraw/zinc/45/86/45/134458645.db2.gz OYBYWUFNEVAVOJ-UHFFFAOYSA-N 1 2 278.331 0.645 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccn(CC#C)n1 ZINC000279708587 397442297 /nfs/dbraw/zinc/44/22/97/397442297.db2.gz KAMRXHSFNDBIDC-CYBMUJFWSA-N 1 2 272.352 0.476 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccn(CC#C)n1 ZINC000279708587 397442301 /nfs/dbraw/zinc/44/23/01/397442301.db2.gz KAMRXHSFNDBIDC-CYBMUJFWSA-N 1 2 272.352 0.476 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cnccc1C#N ZINC000358626290 144167562 /nfs/dbraw/zinc/16/75/62/144167562.db2.gz KZQXPUZHMWMYJB-UHFFFAOYSA-N 1 2 255.281 0.959 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000408222244 397522478 /nfs/dbraw/zinc/52/24/78/397522478.db2.gz ASTPWNOTDWNIQW-GFCCVEGCSA-N 1 2 278.356 0.055 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654982840 412456891 /nfs/dbraw/zinc/45/68/91/412456891.db2.gz IFMHEJDEWGBIIV-MNOVXSKESA-N 1 2 251.330 0.889 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654982840 412456894 /nfs/dbraw/zinc/45/68/94/412456894.db2.gz IFMHEJDEWGBIIV-MNOVXSKESA-N 1 2 251.330 0.889 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)C ZINC000037248204 173060960 /nfs/dbraw/zinc/06/09/60/173060960.db2.gz OCVMQLLIQOLPOD-NSHDSACASA-N 1 2 288.351 0.905 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)C ZINC000037248204 173060962 /nfs/dbraw/zinc/06/09/62/173060962.db2.gz OCVMQLLIQOLPOD-NSHDSACASA-N 1 2 288.351 0.905 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@](CO)(OC)C2)nn1 ZINC000661383672 414609284 /nfs/dbraw/zinc/60/92/84/414609284.db2.gz DICYELWWPSTKQI-AWEZNQCLSA-N 1 2 280.372 0.828 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@](CO)(OC)C2)nn1 ZINC000661383672 414609287 /nfs/dbraw/zinc/60/92/87/414609287.db2.gz DICYELWWPSTKQI-AWEZNQCLSA-N 1 2 280.372 0.828 20 30 CCEDLO COCC(=O)NC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330085301 228036064 /nfs/dbraw/zinc/03/60/64/228036064.db2.gz CTQGMTBDCFQXCV-SNVBAGLBSA-N 1 2 292.339 0.259 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@]2(C)CCOC2)C1 ZINC000329588621 545023661 /nfs/dbraw/zinc/02/36/61/545023661.db2.gz YZJWGOBLAJRYOM-OCCSQVGLSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@]2(C)CCOC2)C1 ZINC000329588621 545023663 /nfs/dbraw/zinc/02/36/63/545023663.db2.gz YZJWGOBLAJRYOM-OCCSQVGLSA-N 1 2 284.404 0.162 20 30 CCEDLO CC[C@@H](C(=O)N1CCOC[C@@H]1C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000407995104 260158791 /nfs/dbraw/zinc/15/87/91/260158791.db2.gz GBKSVFIWFFBPTK-MJBXVCDLSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@@H](C(=O)N1CCOC[C@@H]1C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000407995104 260158793 /nfs/dbraw/zinc/15/87/93/260158793.db2.gz GBKSVFIWFFBPTK-MJBXVCDLSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081410534 260182269 /nfs/dbraw/zinc/18/22/69/260182269.db2.gz LBMBSPXRMRCFAZ-DYEKYZERSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081410534 260182270 /nfs/dbraw/zinc/18/22/70/260182270.db2.gz LBMBSPXRMRCFAZ-DYEKYZERSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000049000834 260202909 /nfs/dbraw/zinc/20/29/09/260202909.db2.gz WWJLKUUKOHTFCK-SECBINFHSA-N 1 2 252.318 0.408 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000049000834 260202911 /nfs/dbraw/zinc/20/29/11/260202911.db2.gz WWJLKUUKOHTFCK-SECBINFHSA-N 1 2 252.318 0.408 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000054269299 260216647 /nfs/dbraw/zinc/21/66/47/260216647.db2.gz UGBKXRYUQRGACY-UHFFFAOYSA-N 1 2 253.277 0.907 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000408110374 260236195 /nfs/dbraw/zinc/23/61/95/260236195.db2.gz OXSJTWPWODYATL-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000408110374 260236196 /nfs/dbraw/zinc/23/61/96/260236196.db2.gz OXSJTWPWODYATL-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2c1OCO2 ZINC000518278913 260367512 /nfs/dbraw/zinc/36/75/12/260367512.db2.gz YVGBVGRFGMRAEM-AWEZNQCLSA-N 1 2 275.308 0.989 20 30 CCEDLO Cc1nn(C)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000156417748 261122885 /nfs/dbraw/zinc/12/28/85/261122885.db2.gz JGNKXNYWGOQIIY-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N=c2cc(C)c(C)n[nH]2)CC1 ZINC000490670374 261181996 /nfs/dbraw/zinc/18/19/96/261181996.db2.gz MATUUKTXVDHERY-UHFFFAOYSA-N 1 2 272.352 0.799 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248978327 261228329 /nfs/dbraw/zinc/22/83/29/261228329.db2.gz IGGIMXAXSVIAMF-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248978327 261228331 /nfs/dbraw/zinc/22/83/31/261228331.db2.gz IGGIMXAXSVIAMF-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000249715240 261259489 /nfs/dbraw/zinc/25/94/89/261259489.db2.gz HWZQCLPZYREGSE-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000249715240 261259491 /nfs/dbraw/zinc/25/94/91/261259491.db2.gz HWZQCLPZYREGSE-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(C[C@@H](C)C#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000303256155 261357724 /nfs/dbraw/zinc/35/77/24/261357724.db2.gz HHODNEUBJHBHHH-STQMWFEESA-N 1 2 255.362 0.161 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000528478321 269837891 /nfs/dbraw/zinc/83/78/91/269837891.db2.gz YRKRGUZCNFRULR-LBPRGKRZSA-N 1 2 299.334 0.474 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nn[nH]c2C1 ZINC000528478321 269837892 /nfs/dbraw/zinc/83/78/92/269837892.db2.gz YRKRGUZCNFRULR-LBPRGKRZSA-N 1 2 299.334 0.474 20 30 CCEDLO CC(C)N(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000190677793 262184950 /nfs/dbraw/zinc/18/49/50/262184950.db2.gz QHOVDPPJUASZKY-UHFFFAOYSA-N 1 2 282.388 0.994 20 30 CCEDLO COCc1ccccc1CNC(=O)CO[NH+]=C(N)CCO ZINC000274381799 263023731 /nfs/dbraw/zinc/02/37/31/263023731.db2.gz SUIOLSMVNRCCRU-UHFFFAOYSA-N 1 2 295.339 0.120 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283013506 263080486 /nfs/dbraw/zinc/08/04/86/263080486.db2.gz ZUMKWWPOPAKEDO-WDEREUQCSA-N 1 2 285.373 0.197 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1CCc2sccc2C1 ZINC000283286898 263082238 /nfs/dbraw/zinc/08/22/38/263082238.db2.gz GVSMPPHHILUUND-VIFPVBQESA-N 1 2 297.380 0.693 20 30 CCEDLO NC(CCO)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284412185 263086943 /nfs/dbraw/zinc/08/69/43/263086943.db2.gz NPUFKFGWLVCGEH-UHFFFAOYSA-N 1 2 284.228 0.674 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227188 263098269 /nfs/dbraw/zinc/09/82/69/263098269.db2.gz VVUFAAPQABRSNG-VXGBXAGGSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227188 263098270 /nfs/dbraw/zinc/09/82/70/263098270.db2.gz VVUFAAPQABRSNG-VXGBXAGGSA-N 1 2 265.357 0.396 20 30 CCEDLO CO/N=C/C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289218265 263108236 /nfs/dbraw/zinc/10/82/36/263108236.db2.gz XGLKZELTGZGTGN-FBJMNJBLSA-N 1 2 291.351 0.636 20 30 CCEDLO CO/N=C/C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289218265 263108237 /nfs/dbraw/zinc/10/82/37/263108237.db2.gz XGLKZELTGZGTGN-FBJMNJBLSA-N 1 2 291.351 0.636 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCc2nnn(C)n2)cc1 ZINC000289411643 263110011 /nfs/dbraw/zinc/11/00/11/263110011.db2.gz PMGLGTIUMCFZLB-UHFFFAOYSA-N 1 2 276.300 0.250 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000299083809 263229981 /nfs/dbraw/zinc/22/99/81/263229981.db2.gz JKQDMAFRBRRTMT-UHFFFAOYSA-N 1 2 293.371 0.086 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000299083809 263229983 /nfs/dbraw/zinc/22/99/83/263229983.db2.gz JKQDMAFRBRRTMT-UHFFFAOYSA-N 1 2 293.371 0.086 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000299176576 263233310 /nfs/dbraw/zinc/23/33/10/263233310.db2.gz XNVBXCMMXSTVCY-JGVFFNPUSA-N 1 2 294.277 0.854 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000299176576 263233311 /nfs/dbraw/zinc/23/33/11/263233311.db2.gz XNVBXCMMXSTVCY-JGVFFNPUSA-N 1 2 294.277 0.854 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370034058 263321528 /nfs/dbraw/zinc/32/15/28/263321528.db2.gz WBZSIJULJYZPBY-GMXVVIOVSA-N 1 2 250.342 0.624 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370034058 263321531 /nfs/dbraw/zinc/32/15/31/263321531.db2.gz WBZSIJULJYZPBY-GMXVVIOVSA-N 1 2 250.342 0.624 20 30 CCEDLO Cc1cc(COCC(=O)NC[C@H]2C[N@H+](C)CCO2)on1 ZINC000328667517 263835858 /nfs/dbraw/zinc/83/58/58/263835858.db2.gz DDXFQQUMFAXBOS-LBPRGKRZSA-N 1 2 283.328 0.787 20 30 CCEDLO Cc1cc(COCC(=O)NC[C@H]2C[N@@H+](C)CCO2)on1 ZINC000328667517 263835859 /nfs/dbraw/zinc/83/58/59/263835859.db2.gz DDXFQQUMFAXBOS-LBPRGKRZSA-N 1 2 283.328 0.787 20 30 CCEDLO CC1(C)SC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000328741490 263852137 /nfs/dbraw/zinc/85/21/37/263852137.db2.gz MIWQFPRTPKJFSK-SNVBAGLBSA-N 1 2 273.402 0.716 20 30 CCEDLO N#CCCCS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330766621 264032824 /nfs/dbraw/zinc/03/28/24/264032824.db2.gz QYVBELMINHXWIH-UHFFFAOYSA-N 1 2 297.384 0.161 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000330796233 264040260 /nfs/dbraw/zinc/04/02/60/264040260.db2.gz XJHQXNJTSHLDHS-WOPDTQHZSA-N 1 2 253.346 0.762 20 30 CCEDLO Cc1ccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c(C)[nH+]1 ZINC000330776604 264035136 /nfs/dbraw/zinc/03/51/36/264035136.db2.gz ZTCRJODNFAEVHW-MRVPVSSYSA-N 1 2 286.357 0.701 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000330796233 264040257 /nfs/dbraw/zinc/04/02/57/264040257.db2.gz XJHQXNJTSHLDHS-WOPDTQHZSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1coc(C(N)=O)c1 ZINC000330800963 264041518 /nfs/dbraw/zinc/04/15/18/264041518.db2.gz CYADHWUXMWQIOR-VIFPVBQESA-N 1 2 281.312 0.404 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1coc(C(N)=O)c1 ZINC000330800963 264041519 /nfs/dbraw/zinc/04/15/19/264041519.db2.gz CYADHWUXMWQIOR-VIFPVBQESA-N 1 2 281.312 0.404 20 30 CCEDLO C[C@H](O)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330803057 264042206 /nfs/dbraw/zinc/04/22/06/264042206.db2.gz JSUIFBFVHMHSRW-QWRGUYRKSA-N 1 2 252.318 0.500 20 30 CCEDLO C[C@H](O)[C@H]1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330803057 264042207 /nfs/dbraw/zinc/04/22/07/264042207.db2.gz JSUIFBFVHMHSRW-QWRGUYRKSA-N 1 2 252.318 0.500 20 30 CCEDLO C[C@@H](CCO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330880247 264061551 /nfs/dbraw/zinc/06/15/51/264061551.db2.gz ICENZMFBAPQOPG-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@@H](CCO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330880247 264061552 /nfs/dbraw/zinc/06/15/52/264061552.db2.gz ICENZMFBAPQOPG-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000330940707 264083534 /nfs/dbraw/zinc/08/35/34/264083534.db2.gz DZTAIJQJNRWFPS-WDEREUQCSA-N 1 2 270.377 0.355 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000330940707 264083535 /nfs/dbraw/zinc/08/35/35/264083535.db2.gz DZTAIJQJNRWFPS-WDEREUQCSA-N 1 2 270.377 0.355 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000330961227 264088710 /nfs/dbraw/zinc/08/87/10/264088710.db2.gz BQSKWEFPYCUJIY-MWLCHTKSSA-N 1 2 293.289 0.746 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000330961227 264088713 /nfs/dbraw/zinc/08/87/13/264088713.db2.gz BQSKWEFPYCUJIY-MWLCHTKSSA-N 1 2 293.289 0.746 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000331212632 264163282 /nfs/dbraw/zinc/16/32/82/264163282.db2.gz KKYYMNFMDNHAFU-QJPTWQEYSA-N 1 2 299.371 0.162 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000331212632 264163285 /nfs/dbraw/zinc/16/32/85/264163285.db2.gz KKYYMNFMDNHAFU-QJPTWQEYSA-N 1 2 299.371 0.162 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)nn1C ZINC000331259005 264183801 /nfs/dbraw/zinc/18/38/01/264183801.db2.gz GVWOUFSOPWJYOZ-LLVKDONJSA-N 1 2 281.360 0.197 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000331360971 264208872 /nfs/dbraw/zinc/20/88/72/264208872.db2.gz YLQYJMBIJUQFSV-UHFFFAOYSA-N 1 2 297.315 0.733 20 30 CCEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000126253545 264209914 /nfs/dbraw/zinc/20/99/14/264209914.db2.gz SJOWPGWFQJHFND-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000126253545 264209917 /nfs/dbraw/zinc/20/99/17/264209917.db2.gz SJOWPGWFQJHFND-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO C=C[C@H](C)NC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000362681018 267034741 /nfs/dbraw/zinc/03/47/41/267034741.db2.gz YBHQUYOUVHNSHZ-LBPRGKRZSA-N 1 2 293.371 0.333 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C#N ZINC000362734642 267040445 /nfs/dbraw/zinc/04/04/45/267040445.db2.gz NNWHEGGICVGCSR-CMPLNLGQSA-N 1 2 291.355 0.511 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C#N ZINC000362734642 267040448 /nfs/dbraw/zinc/04/04/48/267040448.db2.gz NNWHEGGICVGCSR-CMPLNLGQSA-N 1 2 291.355 0.511 20 30 CCEDLO Cc1cc(C#N)nc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286347243 278630388 /nfs/dbraw/zinc/63/03/88/278630388.db2.gz MHUZINUXCVHCOY-GXTWGEPZSA-N 1 2 287.367 0.956 20 30 CCEDLO Cc1[nH]c(C(=O)NC[C@@H]2CCCCS2(=O)=O)c[nH+]1 ZINC000329564900 279147483 /nfs/dbraw/zinc/14/74/83/279147483.db2.gz OCGQTLWYJIMHCI-VIFPVBQESA-N 1 2 271.342 0.990 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000354809073 288383685 /nfs/dbraw/zinc/38/36/85/288383685.db2.gz AYKARLISYOKUHD-DGCLKSJQSA-N 1 2 253.346 0.451 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000354809073 288383688 /nfs/dbraw/zinc/38/36/88/288383688.db2.gz AYKARLISYOKUHD-DGCLKSJQSA-N 1 2 253.346 0.451 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2ncnn21 ZINC000571093904 328085227 /nfs/dbraw/zinc/08/52/27/328085227.db2.gz GURSBNWUISLECQ-ZDUSSCGKSA-N 1 2 272.312 0.303 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412068131 328102663 /nfs/dbraw/zinc/10/26/63/328102663.db2.gz HVTSAHKEHIDJFP-MJBXVCDLSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412068131 328102664 /nfs/dbraw/zinc/10/26/64/328102664.db2.gz HVTSAHKEHIDJFP-MJBXVCDLSA-N 1 2 282.384 0.657 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NC2CC2)cs1 ZINC000266603535 328169729 /nfs/dbraw/zinc/16/97/29/328169729.db2.gz FGYTYOKUAZQFGE-SSDOTTSWSA-N 1 2 282.369 0.950 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185200956 329268643 /nfs/dbraw/zinc/26/86/43/329268643.db2.gz HTCBFEKZMFCSRE-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340654936 328298695 /nfs/dbraw/zinc/29/86/95/328298695.db2.gz DRZWIJHTHAJVEV-GFCCVEGCSA-N 1 2 278.356 0.812 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000121361894 328375511 /nfs/dbraw/zinc/37/55/11/328375511.db2.gz ZHTPZZHJXYKJLZ-UHFFFAOYSA-N 1 2 264.354 0.510 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000112920445 328451646 /nfs/dbraw/zinc/45/16/46/328451646.db2.gz JSCFOYHRUKDEFT-UHFFFAOYSA-N 1 2 282.347 0.748 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451181620 331019013 /nfs/dbraw/zinc/01/90/13/331019013.db2.gz FPIZMWXJRXAAKI-LLVKDONJSA-N 1 2 252.293 0.686 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451181620 331019014 /nfs/dbraw/zinc/01/90/14/331019014.db2.gz FPIZMWXJRXAAKI-LLVKDONJSA-N 1 2 252.293 0.686 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000584149552 327049852 /nfs/dbraw/zinc/04/98/52/327049852.db2.gz FVCYHDASAAKDAS-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@H]1CCOC1 ZINC000558898693 327130490 /nfs/dbraw/zinc/13/04/90/327130490.db2.gz LUUNDHOVPHNCIE-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000569549341 327197150 /nfs/dbraw/zinc/19/71/50/327197150.db2.gz IDBSVWTYPBPHII-ZIAGYGMSSA-N 1 2 297.399 0.599 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000560461756 327310524 /nfs/dbraw/zinc/31/05/24/327310524.db2.gz FZKRVLDSTOCEAY-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000560461756 327310526 /nfs/dbraw/zinc/31/05/26/327310526.db2.gz FZKRVLDSTOCEAY-DGCLKSJQSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377364580 329012706 /nfs/dbraw/zinc/01/27/06/329012706.db2.gz VZVMULCVUGJMQY-LLVKDONJSA-N 1 2 267.354 0.563 20 30 CCEDLO C#CCN(CC#C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000175730072 329171368 /nfs/dbraw/zinc/17/13/68/329171368.db2.gz QRTMUXWLCCSPHC-UHFFFAOYSA-N 1 2 298.390 0.727 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185200956 329268642 /nfs/dbraw/zinc/26/86/42/329268642.db2.gz HTCBFEKZMFCSRE-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185968427 329337631 /nfs/dbraw/zinc/33/76/31/329337631.db2.gz HPPNHGCLSMOESM-CQSZACIVSA-N 1 2 280.372 0.478 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185968427 329337633 /nfs/dbraw/zinc/33/76/33/329337633.db2.gz HPPNHGCLSMOESM-CQSZACIVSA-N 1 2 280.372 0.478 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCOCC)CC1 ZINC000189604817 329384383 /nfs/dbraw/zinc/38/43/83/329384383.db2.gz WIYCMFUWTOTFLY-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000583748076 329472440 /nfs/dbraw/zinc/47/24/40/329472440.db2.gz PURKIWZRBXCJQD-UHFFFAOYSA-N 1 2 253.327 0.468 20 30 CCEDLO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(=O)OC ZINC000057906448 329678198 /nfs/dbraw/zinc/67/81/98/329678198.db2.gz RVEJCIKBPDFWRX-BXUZGUMPSA-N 1 2 295.383 0.926 20 30 CCEDLO C=CCCn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC000424586384 330390206 /nfs/dbraw/zinc/39/02/06/330390206.db2.gz RVMWHWNZWZLZPE-UHFFFAOYSA-N 1 2 260.301 0.481 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)CC#N ZINC000438877038 330730498 /nfs/dbraw/zinc/73/04/98/330730498.db2.gz SKGUSAYETYTFBG-QMMMGPOBSA-N 1 2 262.269 0.447 20 30 CCEDLO CN(C(=O)C[N@H+](C)C(C)(C)C(N)=O)C1(C#N)CCCCC1 ZINC000451137255 331017047 /nfs/dbraw/zinc/01/70/47/331017047.db2.gz HZCUVHSUDYMURC-UHFFFAOYSA-N 1 2 294.399 0.867 20 30 CCEDLO CN(C(=O)C[N@@H+](C)C(C)(C)C(N)=O)C1(C#N)CCCCC1 ZINC000451137255 331017048 /nfs/dbraw/zinc/01/70/48/331017048.db2.gz HZCUVHSUDYMURC-UHFFFAOYSA-N 1 2 294.399 0.867 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000451634913 331037552 /nfs/dbraw/zinc/03/75/52/331037552.db2.gz SHCVDXAUPVEUFF-RDBSUJKOSA-N 1 2 284.400 0.929 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000451634913 331037553 /nfs/dbraw/zinc/03/75/53/331037553.db2.gz SHCVDXAUPVEUFF-RDBSUJKOSA-N 1 2 284.400 0.929 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000451695672 331039458 /nfs/dbraw/zinc/03/94/58/331039458.db2.gz QSZWLEUVEQQMBS-XQLPTFJDSA-N 1 2 294.395 0.899 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458308450 331247985 /nfs/dbraw/zinc/24/79/85/331247985.db2.gz RTHQMROXVSIQJE-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458308450 331247986 /nfs/dbraw/zinc/24/79/86/331247986.db2.gz RTHQMROXVSIQJE-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C=C(C)CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000459009299 331266236 /nfs/dbraw/zinc/26/62/36/331266236.db2.gz VPLITAPGPZCDSZ-UHFFFAOYSA-N 1 2 282.388 0.544 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489030282 332038440 /nfs/dbraw/zinc/03/84/40/332038440.db2.gz XEPHBBPLKJOOFX-NSHDSACASA-N 1 2 292.314 0.704 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489030282 332038441 /nfs/dbraw/zinc/03/84/41/332038441.db2.gz XEPHBBPLKJOOFX-NSHDSACASA-N 1 2 292.314 0.704 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000489209944 332043483 /nfs/dbraw/zinc/04/34/83/332043483.db2.gz ASNQNANPNUXDDO-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000489209944 332043484 /nfs/dbraw/zinc/04/34/84/332043484.db2.gz ASNQNANPNUXDDO-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000489633569 332062239 /nfs/dbraw/zinc/06/22/39/332062239.db2.gz MJNCUZRYNSQEAQ-OLZOCXBDSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000489633569 332062241 /nfs/dbraw/zinc/06/22/41/332062241.db2.gz MJNCUZRYNSQEAQ-OLZOCXBDSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000489651625 332063161 /nfs/dbraw/zinc/06/31/61/332063161.db2.gz PXDROARWJCJIBZ-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C#CC[N@@H+](CC#CC)Cc1nn2c(nc(C)cc2=O)s1 ZINC000490692298 332105150 /nfs/dbraw/zinc/10/51/50/332105150.db2.gz YVWFPIPXNPTBFG-UHFFFAOYSA-N 1 2 286.360 0.918 20 30 CCEDLO C#CC[N@H+](CC#CC)Cc1nn2c(nc(C)cc2=O)s1 ZINC000490692298 332105152 /nfs/dbraw/zinc/10/51/52/332105152.db2.gz YVWFPIPXNPTBFG-UHFFFAOYSA-N 1 2 286.360 0.918 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@@H](C)C(=O)OC)CC1 ZINC000490759262 332112649 /nfs/dbraw/zinc/11/26/49/332112649.db2.gz AKOPLSKAUSRJNE-GFCCVEGCSA-N 1 2 298.408 0.306 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](c3cccnc3)CC2=O)CC1 ZINC000490891729 332125099 /nfs/dbraw/zinc/12/50/99/332125099.db2.gz GYLSNGXWWPYNEW-MRXNPFEDSA-N 1 2 298.390 0.606 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000491014438 332138999 /nfs/dbraw/zinc/13/89/99/332138999.db2.gz QFNXLNNYDZIVBA-CYBMUJFWSA-N 1 2 297.362 0.213 20 30 CCEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491241470 332172584 /nfs/dbraw/zinc/17/25/84/332172584.db2.gz JOLUUSMGBWFCLT-SNVBAGLBSA-N 1 2 270.292 0.801 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1CC1 ZINC000491545297 332234727 /nfs/dbraw/zinc/23/47/27/332234727.db2.gz PRGSJFOJYYNVAX-AWEZNQCLSA-N 1 2 250.342 0.814 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1CC1 ZINC000491545297 332234728 /nfs/dbraw/zinc/23/47/28/332234728.db2.gz PRGSJFOJYYNVAX-AWEZNQCLSA-N 1 2 250.342 0.814 20 30 CCEDLO C#CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)C1CC1 ZINC000491628918 332252170 /nfs/dbraw/zinc/25/21/70/332252170.db2.gz LPSBWNGDRRFULS-UHFFFAOYSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)C1CC1 ZINC000491628918 332252172 /nfs/dbraw/zinc/25/21/72/332252172.db2.gz LPSBWNGDRRFULS-UHFFFAOYSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](C(F)F)CC2=O)CC1 ZINC000491633324 332255236 /nfs/dbraw/zinc/25/52/36/332255236.db2.gz PWYVEUTXQVVVOM-NSHDSACASA-N 1 2 271.311 0.308 20 30 CCEDLO C#CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491637869 332258244 /nfs/dbraw/zinc/25/82/44/332258244.db2.gz XEJFHBVBDPFVGJ-GFCCVEGCSA-N 1 2 276.340 0.233 20 30 CCEDLO C#CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491637869 332258246 /nfs/dbraw/zinc/25/82/46/332258246.db2.gz XEJFHBVBDPFVGJ-GFCCVEGCSA-N 1 2 276.340 0.233 20 30 CCEDLO C#C[C@H]1COCCN1CCCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491641777 332261035 /nfs/dbraw/zinc/26/10/35/332261035.db2.gz SXHAIWRBAIMAST-IRXDYDNUSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@H]1COCCN1CCCCC[N@H+]1CCOC[C@@H]1C#C ZINC000491641777 332261037 /nfs/dbraw/zinc/26/10/37/332261037.db2.gz SXHAIWRBAIMAST-IRXDYDNUSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000491656417 332268310 /nfs/dbraw/zinc/26/83/10/332268310.db2.gz BIFQAIOGNIVWRD-GFCCVEGCSA-N 1 2 262.313 0.317 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491670664 332277808 /nfs/dbraw/zinc/27/78/08/332277808.db2.gz ZMLNGYMKOHITPR-VIFPVBQESA-N 1 2 261.281 0.557 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC1 ZINC000491675260 332280775 /nfs/dbraw/zinc/28/07/75/332280775.db2.gz YZYGUZUIPMMKNK-AWEZNQCLSA-N 1 2 275.396 0.842 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491754436 332329452 /nfs/dbraw/zinc/32/94/52/332329452.db2.gz STGCORCFIAVZPI-HNNXBMFYSA-N 1 2 290.411 0.290 20 30 CCEDLO CCn1nccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493708453 332450580 /nfs/dbraw/zinc/45/05/80/332450580.db2.gz ADWSLKNHRWJBLB-AFNCTOJWSA-N 1 2 275.356 0.876 20 30 CCEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)C1COC1 ZINC000575803605 335116831 /nfs/dbraw/zinc/11/68/31/335116831.db2.gz UPKDURZDHLXVCG-UHFFFAOYSA-N 1 2 257.297 0.822 20 30 CCEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1COC1 ZINC000575803605 335116832 /nfs/dbraw/zinc/11/68/32/335116832.db2.gz UPKDURZDHLXVCG-UHFFFAOYSA-N 1 2 257.297 0.822 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517067463 333091961 /nfs/dbraw/zinc/09/19/61/333091961.db2.gz OBXDSFZLIVFLNV-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000517067463 333091962 /nfs/dbraw/zinc/09/19/62/333091962.db2.gz OBXDSFZLIVFLNV-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(Cc2ccccc2)no1 ZINC000185379796 333139652 /nfs/dbraw/zinc/13/96/52/333139652.db2.gz PRWKDOUCFWXQLJ-LLVKDONJSA-N 1 2 299.334 0.951 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000193325590 333248062 /nfs/dbraw/zinc/24/80/62/333248062.db2.gz VEDOEHATSARHKC-WDEREUQCSA-N 1 2 271.324 0.518 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000522165418 333254386 /nfs/dbraw/zinc/25/43/86/333254386.db2.gz QYUKMAAFDIPRJJ-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000522165418 333254388 /nfs/dbraw/zinc/25/43/88/333254388.db2.gz QYUKMAAFDIPRJJ-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCOc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000236680758 333374613 /nfs/dbraw/zinc/37/46/13/333374613.db2.gz SKDAJNIVBFBLDK-UHFFFAOYSA-N 1 2 289.335 0.622 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000078877068 334141559 /nfs/dbraw/zinc/14/15/59/334141559.db2.gz MGQPMHCMPDJYRE-UHFFFAOYSA-N 1 2 289.379 0.812 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000078877068 334141560 /nfs/dbraw/zinc/14/15/60/334141560.db2.gz MGQPMHCMPDJYRE-UHFFFAOYSA-N 1 2 289.379 0.812 20 30 CCEDLO N#CCC[N@@H+](CC(=O)NC1CCOCC1)CC1CC1 ZINC000081044734 334177318 /nfs/dbraw/zinc/17/73/18/334177318.db2.gz ROBNAQOAOYGPQP-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCC[N@H+](CC(=O)NC1CCOCC1)CC1CC1 ZINC000081044734 334177320 /nfs/dbraw/zinc/17/73/20/334177320.db2.gz ROBNAQOAOYGPQP-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000248778442 334317366 /nfs/dbraw/zinc/31/73/66/334317366.db2.gz VKCGTZQLGSNEFM-NEPJUHHUSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000248778442 334317367 /nfs/dbraw/zinc/31/73/67/334317367.db2.gz VKCGTZQLGSNEFM-NEPJUHHUSA-N 1 2 281.356 0.335 20 30 CCEDLO C=CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088592938 334339998 /nfs/dbraw/zinc/33/99/98/334339998.db2.gz KXZBIPXAQLAPKX-ZDUSSCGKSA-N 1 2 251.374 0.801 20 30 CCEDLO C=CC[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088592938 334339999 /nfs/dbraw/zinc/33/99/99/334339999.db2.gz KXZBIPXAQLAPKX-ZDUSSCGKSA-N 1 2 251.374 0.801 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(CC#N)CC1 ZINC000581626283 336114567 /nfs/dbraw/zinc/11/45/67/336114567.db2.gz MNQUWGSDJLIWKX-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(CC#N)CC1 ZINC000581626283 336114568 /nfs/dbraw/zinc/11/45/68/336114568.db2.gz MNQUWGSDJLIWKX-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO Cc1ocnc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329126541 534588823 /nfs/dbraw/zinc/58/88/23/534588823.db2.gz UJIHLRGBGUJCSE-LBPRGKRZSA-N 1 2 294.355 0.804 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c[nH+]1 ZINC000329097386 534724092 /nfs/dbraw/zinc/72/40/92/534724092.db2.gz CDSPJIXGZRKVNL-XPUUQOCRSA-N 1 2 257.315 0.598 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@]1(O)CCSC1 ZINC000330311746 534755288 /nfs/dbraw/zinc/75/52/88/534755288.db2.gz VYXQNWRUZQXWEW-GXFFZTMASA-N 1 2 296.396 0.570 20 30 CCEDLO [O-]C(NC[C@]1(O)CCSC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330311746 534755290 /nfs/dbraw/zinc/75/52/90/534755290.db2.gz VYXQNWRUZQXWEW-GXFFZTMASA-N 1 2 296.396 0.570 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@]1(O)CCSC1 ZINC000330311747 534756254 /nfs/dbraw/zinc/75/62/54/534756254.db2.gz VYXQNWRUZQXWEW-ZWNOBZJWSA-N 1 2 296.396 0.570 20 30 CCEDLO [O-]C(NC[C@]1(O)CCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330311747 534756258 /nfs/dbraw/zinc/75/62/58/534756258.db2.gz VYXQNWRUZQXWEW-ZWNOBZJWSA-N 1 2 296.396 0.570 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](O)C1 ZINC000061710325 524279257 /nfs/dbraw/zinc/27/92/57/524279257.db2.gz PZQKLGCUOHFJBO-JQWIXIFHSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](O)C1 ZINC000061710325 524279262 /nfs/dbraw/zinc/27/92/62/524279262.db2.gz PZQKLGCUOHFJBO-JQWIXIFHSA-N 1 2 259.309 0.952 20 30 CCEDLO C=CC[C@@H](CO)CNc1[nH+]cnc2c1OCCN2 ZINC000665710366 545104666 /nfs/dbraw/zinc/10/46/66/545104666.db2.gz MDLXACYUOFULDU-SECBINFHSA-N 1 2 250.302 0.877 20 30 CCEDLO C=CC[C@@H](CO)CNc1nc[nH+]c2c1OCCN2 ZINC000665710366 545104667 /nfs/dbraw/zinc/10/46/67/545104667.db2.gz MDLXACYUOFULDU-SECBINFHSA-N 1 2 250.302 0.877 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665941143 545110274 /nfs/dbraw/zinc/11/02/74/545110274.db2.gz UJFSYSGDRXFGDO-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665941143 545110275 /nfs/dbraw/zinc/11/02/75/545110275.db2.gz UJFSYSGDRXFGDO-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@@H](CO)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000350639538 527435560 /nfs/dbraw/zinc/43/55/60/527435560.db2.gz PUYSMAJAAUVYIO-LBPRGKRZSA-N 1 2 287.323 0.995 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355031488 527606013 /nfs/dbraw/zinc/60/60/13/527606013.db2.gz NNOIEZIFFFIZFR-UHFFFAOYSA-N 1 2 282.388 0.390 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355031488 527606018 /nfs/dbraw/zinc/60/60/18/527606018.db2.gz NNOIEZIFFFIZFR-UHFFFAOYSA-N 1 2 282.388 0.390 20 30 CCEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C1COC1 ZINC000451288071 527912338 /nfs/dbraw/zinc/91/23/38/527912338.db2.gz RWFQLJDOHNPFOH-UHFFFAOYSA-N 1 2 273.336 0.895 20 30 CCEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1COC1 ZINC000451288071 527912343 /nfs/dbraw/zinc/91/23/43/527912343.db2.gz RWFQLJDOHNPFOH-UHFFFAOYSA-N 1 2 273.336 0.895 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347386548 528621935 /nfs/dbraw/zinc/62/19/35/528621935.db2.gz YRVAKHIZICSCJK-JSGCOSHPSA-N 1 2 285.363 0.791 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347386548 528621940 /nfs/dbraw/zinc/62/19/40/528621940.db2.gz YRVAKHIZICSCJK-JSGCOSHPSA-N 1 2 285.363 0.791 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000674095623 545299686 /nfs/dbraw/zinc/29/96/86/545299686.db2.gz GPWATMBNVPUYMW-UHFFFAOYSA-N 1 2 293.371 0.015 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517817258 535453592 /nfs/dbraw/zinc/45/35/92/535453592.db2.gz HYZRDYDQSFAXRZ-LBPRGKRZSA-N 1 2 273.340 0.339 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339887 545341924 /nfs/dbraw/zinc/34/19/24/545341924.db2.gz KCZDDBJUDNAZSM-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2nc(C)cc(C#N)n2)CCO1 ZINC000343091654 535852739 /nfs/dbraw/zinc/85/27/39/535852739.db2.gz HBUQGWFWPJOEII-CYBMUJFWSA-N 1 2 275.356 0.601 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2nc(C)cc(C#N)n2)CCO1 ZINC000343091654 535852743 /nfs/dbraw/zinc/85/27/43/535852743.db2.gz HBUQGWFWPJOEII-CYBMUJFWSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000679490720 545410252 /nfs/dbraw/zinc/41/02/52/545410252.db2.gz TXXZQRXKVHOLGJ-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C[C@H](C(=O)NCc1nnc[nH]1)[NH+]1CCSCC1 ZINC000328960209 581112724 /nfs/dbraw/zinc/11/27/24/581112724.db2.gz PJXNPLUKIJAFEO-MRVPVSSYSA-N 1 2 255.347 0.699 20 30 CCEDLO C[C@H](C(=O)NCc1nc[nH]n1)[NH+]1CCSCC1 ZINC000328960209 581112727 /nfs/dbraw/zinc/11/27/27/581112727.db2.gz PJXNPLUKIJAFEO-MRVPVSSYSA-N 1 2 255.347 0.699 20 30 CCEDLO C#CCOCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000784331960 581167318 /nfs/dbraw/zinc/16/73/18/581167318.db2.gz AAYHWROHMQYKDK-UHFFFAOYSA-N 1 2 278.356 0.988 20 30 CCEDLO N#Cc1nc(NC(=O)CCn2cc[nH+]c2)[nH]c1C#N ZINC000725884087 581172232 /nfs/dbraw/zinc/17/22/32/581172232.db2.gz UAQWOPUKQDTYFI-UHFFFAOYSA-N 1 2 255.241 0.378 20 30 CCEDLO C=CCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779568229 581192585 /nfs/dbraw/zinc/19/25/85/581192585.db2.gz ZZWKPQMQMPGDBA-SNVBAGLBSA-N 1 2 251.286 0.507 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc([N+](=O)[O-])c(O)c2)N1 ZINC000779802279 581207029 /nfs/dbraw/zinc/20/70/29/581207029.db2.gz FHMQJYSBRQSOLF-SSDOTTSWSA-N 1 2 263.257 0.572 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000791379486 581219066 /nfs/dbraw/zinc/21/90/66/581219066.db2.gz JNPQBYKAFLQNRR-UHFFFAOYSA-N 1 2 276.336 0.585 20 30 CCEDLO N#Cc1ccc(-c2nnc(CO[NH+]=C(N)CCO)o2)cc1 ZINC000780127467 581220276 /nfs/dbraw/zinc/22/02/76/581220276.db2.gz BZXIPUZVMZIHGC-UHFFFAOYSA-N 1 2 287.279 0.989 20 30 CCEDLO C#CCCCCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000780675615 581239537 /nfs/dbraw/zinc/23/95/37/581239537.db2.gz ZICODIKQVGMWIC-UHFFFAOYSA-N 1 2 296.411 0.723 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC000792170861 581250596 /nfs/dbraw/zinc/25/05/96/581250596.db2.gz HJQFPDFGMBJVRE-UHFFFAOYSA-N 1 2 251.311 0.240 20 30 CCEDLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)n1cnc(C#N)n1 ZINC000792288426 581257092 /nfs/dbraw/zinc/25/70/92/581257092.db2.gz ANNWWELNFFMCNZ-QMMMGPOBSA-N 1 2 272.268 0.431 20 30 CCEDLO COC(C[NH+]1CCN([C@H](C#N)C(C)C)CC1)OC ZINC000781905291 581280097 /nfs/dbraw/zinc/28/00/97/581280097.db2.gz YQMUBYITFVSUIY-GFCCVEGCSA-N 1 2 255.362 0.771 20 30 CCEDLO C#CCOCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000784543922 581387911 /nfs/dbraw/zinc/38/79/11/581387911.db2.gz ATZWXPASUIZIAO-UHFFFAOYSA-N 1 2 264.329 0.564 20 30 CCEDLO C[C@@H]1COC(=O)C1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000794940713 581391517 /nfs/dbraw/zinc/39/15/17/581391517.db2.gz ZIXFHQKXTIHPLL-MRVPVSSYSA-N 1 2 272.268 0.623 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000796194753 581434375 /nfs/dbraw/zinc/43/43/75/581434375.db2.gz CUBKGNRBUWMKCJ-GFCCVEGCSA-N 1 2 261.329 0.967 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000796194753 581434377 /nfs/dbraw/zinc/43/43/77/581434377.db2.gz CUBKGNRBUWMKCJ-GFCCVEGCSA-N 1 2 261.329 0.967 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304629 581436359 /nfs/dbraw/zinc/43/63/59/581436359.db2.gz KVDBXETVPPPKAR-NSHDSACASA-N 1 2 292.257 0.163 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304629 581436361 /nfs/dbraw/zinc/43/63/61/581436361.db2.gz KVDBXETVPPPKAR-NSHDSACASA-N 1 2 292.257 0.163 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000787270721 581463285 /nfs/dbraw/zinc/46/32/85/581463285.db2.gz YCDZQPKKXHNQKH-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC2(C1)OCCO2 ZINC000787270721 581463286 /nfs/dbraw/zinc/46/32/86/581463286.db2.gz YCDZQPKKXHNQKH-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO N#CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000787359996 581469032 /nfs/dbraw/zinc/46/90/32/581469032.db2.gz SFOOIYYQAFEAEO-UHFFFAOYSA-N 1 2 270.296 0.980 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000752955555 581522789 /nfs/dbraw/zinc/52/27/89/581522789.db2.gz RGXJVEAUZUFMHE-CYBMUJFWSA-N 1 2 270.292 0.642 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752092965 581538586 /nfs/dbraw/zinc/53/85/86/581538586.db2.gz NGILEDSKJJFRFN-KBPBESRZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752092965 581538588 /nfs/dbraw/zinc/53/85/88/581538588.db2.gz NGILEDSKJJFRFN-KBPBESRZSA-N 1 2 279.384 0.457 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@H+]2CCOC[C@H]2C)c1O ZINC000729150146 581553633 /nfs/dbraw/zinc/55/36/33/581553633.db2.gz UBFYDMZLYUUFMP-FNQVVVRFSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@@H+]2CCOC[C@H]2C)c1O ZINC000729150146 581553636 /nfs/dbraw/zinc/55/36/36/581553636.db2.gz UBFYDMZLYUUFMP-FNQVVVRFSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1cccn2c(C=Nn3c(=O)cn[nH]c3=S)c[nH+]c12 ZINC000766483174 581568399 /nfs/dbraw/zinc/56/83/99/581568399.db2.gz UNCPNIYQIBOVNH-UHFFFAOYSA-N 1 2 286.320 0.765 20 30 CCEDLO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H]1CCOC1 ZINC000766620860 581573559 /nfs/dbraw/zinc/57/35/59/581573559.db2.gz XZYPLPJKCOVVQF-GFCCVEGCSA-N 1 2 273.336 0.887 20 30 CCEDLO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H]1CCOC1 ZINC000766620860 581573563 /nfs/dbraw/zinc/57/35/63/581573563.db2.gz XZYPLPJKCOVVQF-GFCCVEGCSA-N 1 2 273.336 0.887 20 30 CCEDLO COC(=O)CC[N@@H+](CC(OC)OC)CC1(C#N)CC1 ZINC000766877941 581584056 /nfs/dbraw/zinc/58/40/56/581584056.db2.gz JUOUNLAEOJAYOV-UHFFFAOYSA-N 1 2 270.329 0.774 20 30 CCEDLO COC(=O)CC[N@H+](CC(OC)OC)CC1(C#N)CC1 ZINC000766877941 581584058 /nfs/dbraw/zinc/58/40/58/581584058.db2.gz JUOUNLAEOJAYOV-UHFFFAOYSA-N 1 2 270.329 0.774 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000729448921 581594100 /nfs/dbraw/zinc/59/41/00/581594100.db2.gz GLLWPFVCBMKXBG-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1 ZINC000739732280 581605585 /nfs/dbraw/zinc/60/55/85/581605585.db2.gz WTCWJIFIZANFTN-UHFFFAOYSA-N 1 2 299.378 0.468 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000729978847 581627128 /nfs/dbraw/zinc/62/71/28/581627128.db2.gz QTHQUSSJABHJLW-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO Cn1c[nH+]cc1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000755520776 581643922 /nfs/dbraw/zinc/64/39/22/581643922.db2.gz HAUMCWOOKUYBJI-JTQLQIEISA-N 1 2 267.358 0.397 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000768173471 581646866 /nfs/dbraw/zinc/64/68/66/581646866.db2.gz JURMCUGYMQDOIT-IBGZPJMESA-N 1 2 284.425 0.559 20 30 CCEDLO Cc1cc(C)n(-c2nncn2N=Cc2[nH+]c[nH]c2C)n1 ZINC000755607041 581648468 /nfs/dbraw/zinc/64/84/68/581648468.db2.gz ZNOXVXNVFUYDNQ-UHFFFAOYSA-N 1 2 270.300 0.994 20 30 CCEDLO CN(C)C(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758178807 581724421 /nfs/dbraw/zinc/72/44/21/581724421.db2.gz QTDOOWQVPQMJBD-UHFFFAOYSA-N 1 2 288.351 0.478 20 30 CCEDLO C[C@@H]1C[C@H]1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758363048 581741387 /nfs/dbraw/zinc/74/13/87/581741387.db2.gz VFDMMENMNCXKRE-MNOVXSKESA-N 1 2 270.402 0.425 20 30 CCEDLO c1cnn(-c2ccc(N=NCc3[nH]cc[nH+]3)nn2)c1 ZINC000731151664 581754884 /nfs/dbraw/zinc/75/48/84/581754884.db2.gz OIUMAMJLZDRMIX-UHFFFAOYSA-N 1 2 254.257 0.831 20 30 CCEDLO O=C1CNC(=O)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000770617988 581756620 /nfs/dbraw/zinc/75/66/20/581756620.db2.gz IYZGUVFZZJGFFR-UHFFFAOYSA-N 1 2 269.264 0.758 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000731213144 581757653 /nfs/dbraw/zinc/75/76/53/581757653.db2.gz KELDJAKBPUUEIB-CQSZACIVSA-N 1 2 290.319 0.963 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000731213144 581757656 /nfs/dbraw/zinc/75/76/56/581757656.db2.gz KELDJAKBPUUEIB-CQSZACIVSA-N 1 2 290.319 0.963 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC)CC2)cn1 ZINC000732121392 581804773 /nfs/dbraw/zinc/80/47/73/581804773.db2.gz GUUFSPJPUZXIPB-UHFFFAOYSA-N 1 2 287.363 0.857 20 30 CCEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/C2CC2)NC1=O ZINC000743276876 581806443 /nfs/dbraw/zinc/80/64/43/581806443.db2.gz BGIQNDROIDHKLC-SNVBAGLBSA-N 1 2 298.412 0.194 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c[nH]nc2C)CC1 ZINC000732218024 581810084 /nfs/dbraw/zinc/81/00/84/581810084.db2.gz ILBYTVRTLIEIAQ-UHFFFAOYSA-N 1 2 282.369 0.048 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000744419222 581841999 /nfs/dbraw/zinc/84/19/99/581841999.db2.gz SQFMYMTUUYPPOJ-UHFFFAOYSA-N 1 2 280.759 0.704 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000733161645 581868965 /nfs/dbraw/zinc/86/89/65/581868965.db2.gz UJMYNXFSWVTRNU-UHFFFAOYSA-N 1 2 286.335 0.568 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCNC(=O)C1 ZINC000766896636 581874942 /nfs/dbraw/zinc/87/49/42/581874942.db2.gz VXJRWVPBEFJZHJ-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCCNC(=O)C1 ZINC000766896636 581874944 /nfs/dbraw/zinc/87/49/44/581874944.db2.gz VXJRWVPBEFJZHJ-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000760852997 581876006 /nfs/dbraw/zinc/87/60/06/581876006.db2.gz IDWOSCNOZMOQBH-NEPJUHHUSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000760852997 581876008 /nfs/dbraw/zinc/87/60/08/581876008.db2.gz IDWOSCNOZMOQBH-NEPJUHHUSA-N 1 2 257.330 0.577 20 30 CCEDLO Cc1ncc(CO)c(/C=[NH+]\CCc2ccn(C)n2)c1O ZINC000761014467 581882783 /nfs/dbraw/zinc/88/27/83/581882783.db2.gz FXNZFQDYAKGORC-NVNXTCNLSA-N 1 2 274.324 0.983 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000198105767 581884759 /nfs/dbraw/zinc/88/47/59/581884759.db2.gz NSNMLOUXZNZKLK-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CS(=O)(=O)CCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000733204602 581890663 /nfs/dbraw/zinc/89/06/63/581890663.db2.gz VUWISSTYRRJXLV-UHFFFAOYSA-N 1 2 292.364 0.840 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000746890088 581926056 /nfs/dbraw/zinc/92/60/56/581926056.db2.gz VJALVINIMJDUTK-GFCCVEGCSA-N 1 2 288.395 0.918 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000747373832 581938071 /nfs/dbraw/zinc/93/80/71/581938071.db2.gz AGVRLVTYBMBUEV-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000747373832 581938072 /nfs/dbraw/zinc/93/80/72/581938072.db2.gz AGVRLVTYBMBUEV-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO Cc1nonc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000747961427 581958113 /nfs/dbraw/zinc/95/81/13/581958113.db2.gz NTCYJVLMWOLBCR-UHFFFAOYSA-N 1 2 279.344 0.426 20 30 CCEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748455173 581976631 /nfs/dbraw/zinc/97/66/31/581976631.db2.gz FCZHLTIRZOBAGF-CYBMUJFWSA-N 1 2 296.367 0.451 20 30 CCEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748455173 581976633 /nfs/dbraw/zinc/97/66/33/581976633.db2.gz FCZHLTIRZOBAGF-CYBMUJFWSA-N 1 2 296.367 0.451 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000749656072 582016161 /nfs/dbraw/zinc/01/61/61/582016161.db2.gz UPHOEBJIODIXHU-UHFFFAOYSA-N 1 2 290.323 0.089 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787403 582022109 /nfs/dbraw/zinc/02/21/09/582022109.db2.gz MMCQKRVODVNTHL-SECBINFHSA-N 1 2 263.272 0.601 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000749929008 582026761 /nfs/dbraw/zinc/02/67/61/582026761.db2.gz GDNAQWWYGIPKGW-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000749929008 582026764 /nfs/dbraw/zinc/02/67/64/582026764.db2.gz GDNAQWWYGIPKGW-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCF)CC1 ZINC000750161654 582036506 /nfs/dbraw/zinc/03/65/06/582036506.db2.gz SZWSZLJVXFJQHI-UHFFFAOYSA-N 1 2 262.350 0.317 20 30 CCEDLO C#C[C@H](NC(=O)N1CCn2cc(C)[nH+]c2C1)[C@@H]1CCCO1 ZINC000776231810 582063190 /nfs/dbraw/zinc/06/31/90/582063190.db2.gz QTHYCHCLBXYQSZ-STQMWFEESA-N 1 2 288.351 0.898 20 30 CCEDLO C#CCOCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000851840081 612984865 /nfs/dbraw/zinc/98/48/65/612984865.db2.gz NFNRYSYJVLDJEL-CQSZACIVSA-N 1 2 258.321 0.721 20 30 CCEDLO C#CCOCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000851840081 612984866 /nfs/dbraw/zinc/98/48/66/612984866.db2.gz NFNRYSYJVLDJEL-CQSZACIVSA-N 1 2 258.321 0.721 20 30 CCEDLO C#CCOCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893143957 612989813 /nfs/dbraw/zinc/98/98/13/612989813.db2.gz NKWVGTMNSRIDGX-LLVKDONJSA-N 1 2 264.329 0.721 20 30 CCEDLO C#CCOCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893143957 612989815 /nfs/dbraw/zinc/98/98/15/612989815.db2.gz NKWVGTMNSRIDGX-LLVKDONJSA-N 1 2 264.329 0.721 20 30 CCEDLO C#CCSCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866014194 613015482 /nfs/dbraw/zinc/01/54/82/613015482.db2.gz XSGTXJZAQGTSLV-ARJAWSKDSA-N 1 2 268.382 0.357 20 30 CCEDLO C#CCNC(=O)c1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC000858770456 612952447 /nfs/dbraw/zinc/95/24/47/612952447.db2.gz RRQUBCSURXUUSB-CYBMUJFWSA-N 1 2 288.351 0.187 20 30 CCEDLO C#CCNC(=O)c1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC000858770456 612952449 /nfs/dbraw/zinc/95/24/49/612952449.db2.gz RRQUBCSURXUUSB-CYBMUJFWSA-N 1 2 288.351 0.187 20 30 CCEDLO COc1cc(C[N@H+](C)CCS(N)(=O)=O)ccc1C#N ZINC000877825885 617184764 /nfs/dbraw/zinc/18/47/64/617184764.db2.gz HINDZUMCCIYTMG-UHFFFAOYSA-N 1 2 283.353 0.287 20 30 CCEDLO COc1cc(C[N@@H+](C)CCS(N)(=O)=O)ccc1C#N ZINC000877825885 617184765 /nfs/dbraw/zinc/18/47/65/617184765.db2.gz HINDZUMCCIYTMG-UHFFFAOYSA-N 1 2 283.353 0.287 20 30 CCEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823943800 608091359 /nfs/dbraw/zinc/09/13/59/608091359.db2.gz UIQNKAREOHKGPG-UHFFFAOYSA-N 1 2 291.384 0.900 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000891896917 613101800 /nfs/dbraw/zinc/10/18/00/613101800.db2.gz UBWHJNXLZGADAV-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO CC(C)CCC[C@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121308566 614025719 /nfs/dbraw/zinc/02/57/19/614025719.db2.gz KVJCCATZQJWHNJ-NSHDSACASA-N 1 2 273.377 0.989 20 30 CCEDLO C#CCCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000155050740 612977413 /nfs/dbraw/zinc/97/74/13/612977413.db2.gz PWSRYDBDKQATGP-AWEZNQCLSA-N 1 2 297.399 0.124 20 30 CCEDLO COc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)nc1 ZINC000895194500 617260097 /nfs/dbraw/zinc/26/00/97/617260097.db2.gz ZGBYFBHMFGPETR-NSHDSACASA-N 1 2 251.286 0.560 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939525206 617294040 /nfs/dbraw/zinc/29/40/40/617294040.db2.gz SXXOGJMIFPUSJY-HBNTYKKESA-N 1 2 289.339 0.075 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccnn2CCC)CC1 ZINC000931144007 612952347 /nfs/dbraw/zinc/95/23/47/612952347.db2.gz QDZXEVLBZOIHJA-UHFFFAOYSA-N 1 2 290.367 0.692 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000890526775 612958266 /nfs/dbraw/zinc/95/82/66/612958266.db2.gz AKFYENVYLSRQFG-LBPRGKRZSA-N 1 2 261.325 0.677 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000825660259 612963730 /nfs/dbraw/zinc/96/37/30/612963730.db2.gz IYXBUTUOFVIBLW-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000877606404 612964756 /nfs/dbraw/zinc/96/47/56/612964756.db2.gz AJVLMWXLVJGRIY-UHFFFAOYSA-N 1 2 268.338 0.772 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000807287199 612967881 /nfs/dbraw/zinc/96/78/81/612967881.db2.gz FRUQRZWARKHWAV-CYBMUJFWSA-N 1 2 255.321 0.977 20 30 CCEDLO C#CCC1(O)CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000882970211 612974254 /nfs/dbraw/zinc/97/42/54/612974254.db2.gz UIPQTZRJLDHEFB-GFCCVEGCSA-N 1 2 290.367 0.624 20 30 CCEDLO C#CCC1(O)CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000882970211 612974255 /nfs/dbraw/zinc/97/42/55/612974255.db2.gz UIPQTZRJLDHEFB-GFCCVEGCSA-N 1 2 290.367 0.624 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000806915845 612979579 /nfs/dbraw/zinc/97/95/79/612979579.db2.gz OMRDJNJWPZTYIP-GFCCVEGCSA-N 1 2 288.351 0.266 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000851844715 612983615 /nfs/dbraw/zinc/98/36/15/612983615.db2.gz BKHNDGDBHIYLPS-UHFFFAOYSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCCCn1cc[nH+]c1 ZINC000853015983 612987311 /nfs/dbraw/zinc/98/73/11/612987311.db2.gz JHFPUHWFQXKNOH-UHFFFAOYSA-N 1 2 278.356 0.955 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)CC2(CCC2)C1=O ZINC000853621069 612988944 /nfs/dbraw/zinc/98/89/44/612988944.db2.gz OWBABJAJSKKMOY-UHFFFAOYSA-N 1 2 278.352 0.845 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)CC2(CCC2)C1=O ZINC000853621069 612988945 /nfs/dbraw/zinc/98/89/45/612988945.db2.gz OWBABJAJSKKMOY-UHFFFAOYSA-N 1 2 278.352 0.845 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H](C)CO2)C1 ZINC000950919956 612991396 /nfs/dbraw/zinc/99/13/96/612991396.db2.gz PGONRCVJUKTHNN-GXTWGEPZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(N)=O)co2)C1 ZINC000951738392 612991729 /nfs/dbraw/zinc/99/17/29/612991729.db2.gz PNPQMJBRBCZBFW-UHFFFAOYSA-N 1 2 289.335 0.548 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3nnnn3c2)C1 ZINC000950865495 612991979 /nfs/dbraw/zinc/99/19/79/612991979.db2.gz LXXRJRVSBWSUJU-UHFFFAOYSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3nncn3c2)C1 ZINC000956956037 612991996 /nfs/dbraw/zinc/99/19/96/612991996.db2.gz BYDNBHFPZCHEOO-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC000931344305 613010679 /nfs/dbraw/zinc/01/06/79/613010679.db2.gz IWUXTLRJGAJYFW-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(OC)cn2)CC1 ZINC000815184993 613011289 /nfs/dbraw/zinc/01/12/89/613011289.db2.gz AUONNGPXDKOYEV-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000798405205 613062113 /nfs/dbraw/zinc/06/21/13/613062113.db2.gz CRRNISJLVHDSFI-MCIONIFRSA-N 1 2 297.399 0.169 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000863897285 613065989 /nfs/dbraw/zinc/06/59/89/613065989.db2.gz CMPPPCMDSSVINI-ZDUSSCGKSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000863897285 613065990 /nfs/dbraw/zinc/06/59/90/613065990.db2.gz CMPPPCMDSSVINI-ZDUSSCGKSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000863897284 613066018 /nfs/dbraw/zinc/06/60/18/613066018.db2.gz CMPPPCMDSSVINI-CYBMUJFWSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000863897284 613066019 /nfs/dbraw/zinc/06/60/19/613066019.db2.gz CMPPPCMDSSVINI-CYBMUJFWSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811184510 613082090 /nfs/dbraw/zinc/08/20/90/613082090.db2.gz PNAANFJEIRIFFZ-DGCLKSJQSA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811184510 613082091 /nfs/dbraw/zinc/08/20/91/613082091.db2.gz PNAANFJEIRIFFZ-DGCLKSJQSA-N 1 2 290.367 0.621 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000980368879 613095269 /nfs/dbraw/zinc/09/52/69/613095269.db2.gz GBPAABXUFCDMTD-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000980368879 613095271 /nfs/dbraw/zinc/09/52/71/613095271.db2.gz GBPAABXUFCDMTD-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+](CC)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876638650 613106570 /nfs/dbraw/zinc/10/65/70/613106570.db2.gz DPGDOHCFWJKGIM-UHFFFAOYSA-N 1 2 270.329 0.928 20 30 CCEDLO C#CC[N@H+](CC)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876638650 613106573 /nfs/dbraw/zinc/10/65/73/613106573.db2.gz DPGDOHCFWJKGIM-UHFFFAOYSA-N 1 2 270.329 0.928 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909923638 613109260 /nfs/dbraw/zinc/10/92/60/613109260.db2.gz OUFYIOZZZVETLX-QLKUMGTLSA-N 1 2 278.352 0.126 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H](F)C3)CC2)C1 ZINC000941536665 613115508 /nfs/dbraw/zinc/11/55/08/613115508.db2.gz AQVQBXVYVUJOPN-KBPBESRZSA-N 1 2 293.386 0.586 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@]3(C)CC)CC2)C1 ZINC000941622827 613115711 /nfs/dbraw/zinc/11/57/11/613115711.db2.gz OBVTYDQAXCNUOR-NVXWUHKLSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000941590202 613115721 /nfs/dbraw/zinc/11/57/21/613115721.db2.gz GHHNREQBHVWMRN-CQSZACIVSA-N 1 2 277.412 0.740 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811184511 613118234 /nfs/dbraw/zinc/11/82/34/613118234.db2.gz PNAANFJEIRIFFZ-WCQYABFASA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811184511 613118235 /nfs/dbraw/zinc/11/82/35/613118235.db2.gz PNAANFJEIRIFFZ-WCQYABFASA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000854768465 613125552 /nfs/dbraw/zinc/12/55/52/613125552.db2.gz PTIWWMPBGGHADN-LLVKDONJSA-N 1 2 257.293 0.296 20 30 CCEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000852305246 613136179 /nfs/dbraw/zinc/13/61/79/613136179.db2.gz VZNNANMJVBGYDX-KBPBESRZSA-N 1 2 279.384 0.760 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000878454115 613151206 /nfs/dbraw/zinc/15/12/06/613151206.db2.gz SQZLSNKITRXLRJ-WDEREUQCSA-N 1 2 264.285 0.599 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000891896916 613154931 /nfs/dbraw/zinc/15/49/31/613154931.db2.gz UBWHJNXLZGADAV-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC000923589724 613165849 /nfs/dbraw/zinc/16/58/49/613165849.db2.gz TWGSMTQZGPIDPY-CYBMUJFWSA-N 1 2 250.342 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC000923589724 613165851 /nfs/dbraw/zinc/16/58/51/613165851.db2.gz TWGSMTQZGPIDPY-CYBMUJFWSA-N 1 2 250.342 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC(=O)[C@H]2C)C1 ZINC000924034620 613167566 /nfs/dbraw/zinc/16/75/66/613167566.db2.gz FBNIXNWMDWKHPD-CHWSQXEVSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC(=O)[C@H]2C)C1 ZINC000924034620 613167568 /nfs/dbraw/zinc/16/75/68/613167568.db2.gz FBNIXNWMDWKHPD-CHWSQXEVSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC2CC2)C1 ZINC000885511949 613176071 /nfs/dbraw/zinc/17/60/71/613176071.db2.gz PRWWPOBPPGBKDO-CYBMUJFWSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC2CC2)C1 ZINC000885511949 613176073 /nfs/dbraw/zinc/17/60/73/613176073.db2.gz PRWWPOBPPGBKDO-CYBMUJFWSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC000923566017 613181880 /nfs/dbraw/zinc/18/18/80/613181880.db2.gz MSYRUMANGTZEPO-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC000923566017 613181881 /nfs/dbraw/zinc/18/18/81/613181881.db2.gz MSYRUMANGTZEPO-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)OC)C1 ZINC000885512683 613193041 /nfs/dbraw/zinc/19/30/41/613193041.db2.gz XWYXAVXFTNHHHN-RYUDHWBXSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)OC)C1 ZINC000885512683 613193042 /nfs/dbraw/zinc/19/30/42/613193042.db2.gz XWYXAVXFTNHHHN-RYUDHWBXSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cnn2C)C1 ZINC000885508581 613193251 /nfs/dbraw/zinc/19/32/51/613193251.db2.gz ITJKXVQDMAKDSZ-LBPRGKRZSA-N 1 2 296.396 0.104 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cnn2C)C1 ZINC000885508581 613193253 /nfs/dbraw/zinc/19/32/53/613193253.db2.gz ITJKXVQDMAKDSZ-LBPRGKRZSA-N 1 2 296.396 0.104 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCC3(CCC3)C2=O)CC1 ZINC000872556185 613209398 /nfs/dbraw/zinc/20/93/98/613209398.db2.gz DEGVILBQRYHDAU-UHFFFAOYSA-N 1 2 261.369 0.597 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](C[C@H](C)O)C2)c1 ZINC000951719045 613211620 /nfs/dbraw/zinc/21/16/20/613211620.db2.gz GGCBJYMDIQRPDM-LBPRGKRZSA-N 1 2 287.363 0.590 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972316672 613211774 /nfs/dbraw/zinc/21/17/74/613211774.db2.gz ODTRHXWUHOGYJL-SQRWCISFSA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972316672 613211777 /nfs/dbraw/zinc/21/17/77/613211777.db2.gz ODTRHXWUHOGYJL-SQRWCISFSA-N 1 2 274.364 0.889 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000855406327 613217047 /nfs/dbraw/zinc/21/70/47/613217047.db2.gz DACSLKBHEYRCQW-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000855406327 613217049 /nfs/dbraw/zinc/21/70/49/613217049.db2.gz DACSLKBHEYRCQW-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)c1 ZINC000807282971 613219427 /nfs/dbraw/zinc/21/94/27/613219427.db2.gz UNFBYJWJBYQSFN-ZDUSSCGKSA-N 1 2 298.302 0.231 20 30 CCEDLO C/C(=C/C(=O)N[C@H](C#N)C(C)C)C[NH+]1CCOCC1 ZINC000900637372 613239888 /nfs/dbraw/zinc/23/98/88/613239888.db2.gz CLECFKRPZARCDY-LLBKUYECSA-N 1 2 265.357 0.929 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974598028 613281180 /nfs/dbraw/zinc/28/11/80/613281180.db2.gz OUNHBUDWAPNPAE-LLVKDONJSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974598028 613281182 /nfs/dbraw/zinc/28/11/82/613281182.db2.gz OUNHBUDWAPNPAE-LLVKDONJSA-N 1 2 275.356 0.115 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880393296 613292827 /nfs/dbraw/zinc/29/28/27/613292827.db2.gz JOLWEGFCKBYMTN-UHFFFAOYSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880393296 613292829 /nfs/dbraw/zinc/29/28/29/613292829.db2.gz JOLWEGFCKBYMTN-UHFFFAOYSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C(C)CN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830613 613294693 /nfs/dbraw/zinc/29/46/93/613294693.db2.gz SOICFSFZSCMONS-AWEZNQCLSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)CN1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830613 613294694 /nfs/dbraw/zinc/29/46/94/613294694.db2.gz SOICFSFZSCMONS-AWEZNQCLSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000949759950 613294857 /nfs/dbraw/zinc/29/48/57/613294857.db2.gz SRRPAUQDRDXRQK-OLZOCXBDSA-N 1 2 280.368 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC000951754325 613295490 /nfs/dbraw/zinc/29/54/90/613295490.db2.gz XIABMUMSYIENQU-KGLIPLIRSA-N 1 2 293.411 0.820 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000951743174 613295673 /nfs/dbraw/zinc/29/56/73/613295673.db2.gz KEVOMYUWMHMPBH-QWHCGFSZSA-N 1 2 295.383 0.128 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000949130685 613320186 /nfs/dbraw/zinc/32/01/86/613320186.db2.gz YFXLCLMBWMAVAC-UHFFFAOYSA-N 1 2 290.367 0.458 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC000949470925 613321723 /nfs/dbraw/zinc/32/17/23/613321723.db2.gz JCSSRKUBTMHBDX-UHFFFAOYSA-N 1 2 277.324 0.712 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000892148851 613323460 /nfs/dbraw/zinc/32/34/60/613323460.db2.gz OTXOOWJRMRGLCJ-UHFFFAOYSA-N 1 2 273.340 0.484 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000892148851 613323462 /nfs/dbraw/zinc/32/34/62/613323462.db2.gz OTXOOWJRMRGLCJ-UHFFFAOYSA-N 1 2 273.340 0.484 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298292 613356854 /nfs/dbraw/zinc/35/68/54/613356854.db2.gz HDFMLZOIMYYXKF-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298292 613356855 /nfs/dbraw/zinc/35/68/55/613356855.db2.gz HDFMLZOIMYYXKF-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981780494 613373647 /nfs/dbraw/zinc/37/36/47/613373647.db2.gz XTZBDNQANYNWDV-GFCCVEGCSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000981780494 613373648 /nfs/dbraw/zinc/37/36/48/613373648.db2.gz XTZBDNQANYNWDV-GFCCVEGCSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964964736 613377942 /nfs/dbraw/zinc/37/79/42/613377942.db2.gz NNSVNFQVANSWCC-GXSJLCMTSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964964736 613377943 /nfs/dbraw/zinc/37/79/43/613377943.db2.gz NNSVNFQVANSWCC-GXSJLCMTSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1 ZINC000958498899 613380340 /nfs/dbraw/zinc/38/03/40/613380340.db2.gz IYFXCKFXDNXYEB-GHMZBOCLSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1 ZINC000958498899 613380341 /nfs/dbraw/zinc/38/03/41/613380341.db2.gz IYFXCKFXDNXYEB-GHMZBOCLSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2coc(C)n2)[C@H](O)C1 ZINC000957999921 613380343 /nfs/dbraw/zinc/38/03/43/613380343.db2.gz PUGRKJQABTYGEJ-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2coc(C)n2)[C@H](O)C1 ZINC000957999921 613380344 /nfs/dbraw/zinc/38/03/44/613380344.db2.gz PUGRKJQABTYGEJ-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000981917759 613393364 /nfs/dbraw/zinc/39/33/64/613393364.db2.gz FGFRNYDFXKDHJH-ZDUSSCGKSA-N 1 2 291.395 0.766 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000981917759 613393365 /nfs/dbraw/zinc/39/33/65/613393365.db2.gz FGFRNYDFXKDHJH-ZDUSSCGKSA-N 1 2 291.395 0.766 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429463 613398448 /nfs/dbraw/zinc/39/84/48/613398448.db2.gz HLSCGYBTFYIRON-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429463 613398450 /nfs/dbraw/zinc/39/84/50/613398450.db2.gz HLSCGYBTFYIRON-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C(=O)OC ZINC000905775584 613405492 /nfs/dbraw/zinc/40/54/92/613405492.db2.gz BNAGOZADXJEIFU-SECBINFHSA-N 1 2 278.374 0.008 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000878544366 613413042 /nfs/dbraw/zinc/41/30/42/613413042.db2.gz JHDUIWWDWATMBG-SCRDCRAPSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000878544366 613413044 /nfs/dbraw/zinc/41/30/44/613413044.db2.gz JHDUIWWDWATMBG-SCRDCRAPSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)C(=O)OC ZINC000905848898 613419147 /nfs/dbraw/zinc/41/91/47/613419147.db2.gz BPMZMSGUCKVPLX-MNOVXSKESA-N 1 2 254.330 0.562 20 30 CCEDLO C=CC[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)OC ZINC000878711342 613420366 /nfs/dbraw/zinc/42/03/66/613420366.db2.gz KBKZFXQSRDWHFG-GRYCIOLGSA-N 1 2 257.330 0.481 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000954665664 613428244 /nfs/dbraw/zinc/42/82/44/613428244.db2.gz WLNKWPIBTWMFJR-UHFFFAOYSA-N 1 2 290.367 0.765 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)nn1 ZINC000874711222 613428327 /nfs/dbraw/zinc/42/83/27/613428327.db2.gz NSYUOJQHMJGAJV-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)nn1 ZINC000874711222 613428331 /nfs/dbraw/zinc/42/83/31/613428331.db2.gz NSYUOJQHMJGAJV-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969842588 613438194 /nfs/dbraw/zinc/43/81/94/613438194.db2.gz QUZUNILJELFWIL-LLVKDONJSA-N 1 2 290.367 0.210 20 30 CCEDLO C=CC(C)(C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000877304320 613447161 /nfs/dbraw/zinc/44/71/61/613447161.db2.gz YAZFFGGBGBNEPP-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CC(C)(C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000891896553 613448892 /nfs/dbraw/zinc/44/88/92/613448892.db2.gz PCPMBUFOFWIHSC-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000950353438 613455750 /nfs/dbraw/zinc/45/57/50/613455750.db2.gz WVKMXTVNIDFNNZ-KGLIPLIRSA-N 1 2 282.384 0.493 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC000941400994 613529762 /nfs/dbraw/zinc/52/97/62/613529762.db2.gz MJQGXNVHZXZUHX-CYBMUJFWSA-N 1 2 297.349 0.493 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccon3)CC2)C1 ZINC000941320216 613529901 /nfs/dbraw/zinc/52/99/01/613529901.db2.gz YAGXJADSKURXEA-UHFFFAOYSA-N 1 2 288.351 0.140 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC000941584874 613529944 /nfs/dbraw/zinc/52/99/44/613529944.db2.gz GNONNDXZDZIBKZ-HNNXBMFYSA-N 1 2 287.407 0.638 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000980772018 613554416 /nfs/dbraw/zinc/55/44/16/613554416.db2.gz BGFGMVDPPUGONB-UHFFFAOYSA-N 1 2 260.341 0.889 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000980772018 613554417 /nfs/dbraw/zinc/55/44/17/613554417.db2.gz BGFGMVDPPUGONB-UHFFFAOYSA-N 1 2 260.341 0.889 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC000951734465 613568408 /nfs/dbraw/zinc/56/84/08/613568408.db2.gz MCTGTEYRDJTOQA-UHFFFAOYSA-N 1 2 299.334 0.216 20 30 CCEDLO CC#CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819766348 613569573 /nfs/dbraw/zinc/56/95/73/613569573.db2.gz XFTRMDGVFSUCEI-LLVKDONJSA-N 1 2 298.354 0.191 20 30 CCEDLO CC#CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819766348 613569574 /nfs/dbraw/zinc/56/95/74/613569574.db2.gz XFTRMDGVFSUCEI-LLVKDONJSA-N 1 2 298.354 0.191 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC)C2)C1 ZINC000972193632 613570008 /nfs/dbraw/zinc/57/00/08/613570008.db2.gz HTHOXWRAONGTSU-AWEZNQCLSA-N 1 2 250.342 0.723 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC)C2)C1 ZINC000972193632 613570009 /nfs/dbraw/zinc/57/00/09/613570009.db2.gz HTHOXWRAONGTSU-AWEZNQCLSA-N 1 2 250.342 0.723 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520198 613575171 /nfs/dbraw/zinc/57/51/71/613575171.db2.gz DKOHENDZWGOOKT-VXGBXAGGSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520198 613575173 /nfs/dbraw/zinc/57/51/73/613575173.db2.gz DKOHENDZWGOOKT-VXGBXAGGSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056962 613578342 /nfs/dbraw/zinc/57/83/42/613578342.db2.gz LDQUZFFWVWRZBR-ZDUSSCGKSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056962 613578344 /nfs/dbraw/zinc/57/83/44/613578344.db2.gz LDQUZFFWVWRZBR-ZDUSSCGKSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCc3c(n(C)[nH]c3=O)C2)nn1 ZINC000931193318 613598741 /nfs/dbraw/zinc/59/87/41/613598741.db2.gz VAEBGZSSIGNUGL-UHFFFAOYSA-N 1 2 288.355 0.852 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCc3c(n(C)[nH]c3=O)C2)nn1 ZINC000931193318 613598742 /nfs/dbraw/zinc/59/87/42/613598742.db2.gz VAEBGZSSIGNUGL-UHFFFAOYSA-N 1 2 288.355 0.852 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000839246944 613601581 /nfs/dbraw/zinc/60/15/81/613601581.db2.gz AQDFTTORENAIAN-UHFFFAOYSA-N 1 2 279.384 0.716 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860109 613622395 /nfs/dbraw/zinc/62/23/95/613622395.db2.gz OBMCGGLPBWLTEA-KGLIPLIRSA-N 1 2 277.412 0.931 20 30 CCEDLO CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972860109 613622397 /nfs/dbraw/zinc/62/23/97/613622397.db2.gz OBMCGGLPBWLTEA-KGLIPLIRSA-N 1 2 277.412 0.931 20 30 CCEDLO CC#CC[C@H](CO)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000895102965 613652711 /nfs/dbraw/zinc/65/27/11/613652711.db2.gz IZNCZTVRXKQOAV-SECBINFHSA-N 1 2 268.338 0.794 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000949773721 613655048 /nfs/dbraw/zinc/65/50/48/613655048.db2.gz VQRVXMCPFHHSOV-VXGBXAGGSA-N 1 2 266.341 0.514 20 30 CCEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000941323993 613661633 /nfs/dbraw/zinc/66/16/33/613661633.db2.gz XMYYIUFAJWRZBP-UHFFFAOYSA-N 1 2 275.356 0.038 20 30 CCEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC000941323993 613661635 /nfs/dbraw/zinc/66/16/35/613661635.db2.gz XMYYIUFAJWRZBP-UHFFFAOYSA-N 1 2 275.356 0.038 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn3cccnc23)CC1 ZINC000957691447 613714086 /nfs/dbraw/zinc/71/40/86/613714086.db2.gz UOIJCLXRAJDCHV-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CCN1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000949019387 613715079 /nfs/dbraw/zinc/71/50/79/613715079.db2.gz ODGFKABELTTXSD-UHFFFAOYSA-N 1 2 278.356 0.680 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000949072888 613715824 /nfs/dbraw/zinc/71/58/24/613715824.db2.gz QIGQGMKYZXVNAU-UHFFFAOYSA-N 1 2 261.325 0.329 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972299040 613725408 /nfs/dbraw/zinc/72/54/08/613725408.db2.gz XJVSWRSNGFNHJC-GXTWGEPZSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972299040 613725409 /nfs/dbraw/zinc/72/54/09/613725409.db2.gz XJVSWRSNGFNHJC-GXTWGEPZSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294301 613725659 /nfs/dbraw/zinc/72/56/59/613725659.db2.gz JVJRLYMCJVJBLF-OAHLLOKOSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294301 613725661 /nfs/dbraw/zinc/72/56/61/613725661.db2.gz JVJRLYMCJVJBLF-OAHLLOKOSA-N 1 2 291.351 0.706 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000957779578 613797194 /nfs/dbraw/zinc/79/71/94/613797194.db2.gz CUOYHPPRYRIYQD-UKRRQHHQSA-N 1 2 291.326 0.626 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000957779578 613797192 /nfs/dbraw/zinc/79/71/92/613797192.db2.gz CUOYHPPRYRIYQD-UKRRQHHQSA-N 1 2 291.326 0.626 20 30 CCEDLO C=CCNC(=O)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845555176 613847858 /nfs/dbraw/zinc/84/78/58/613847858.db2.gz SGGWCFQHQMCYBS-UHFFFAOYSA-N 1 2 277.324 0.607 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1nccs1 ZINC000884225335 613877430 /nfs/dbraw/zinc/87/74/30/613877430.db2.gz OXYVFXKDSSTKLF-VIFPVBQESA-N 1 2 283.353 0.548 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CC(F)F ZINC000884315657 613877486 /nfs/dbraw/zinc/87/74/86/613877486.db2.gz WMMHWWFRZNNPIF-QMMMGPOBSA-N 1 2 264.272 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C1CC1)C1CC1 ZINC000884434450 613877517 /nfs/dbraw/zinc/87/75/17/613877517.db2.gz MEKUXPXZTKHFTN-NSHDSACASA-N 1 2 252.314 0.586 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C(C)C)C1 ZINC000884172351 613877789 /nfs/dbraw/zinc/87/77/89/613877789.db2.gz SUXSOXSOPLRTQQ-NEPJUHHUSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(COC)CCCC1 ZINC000884398013 613877975 /nfs/dbraw/zinc/87/79/75/613877975.db2.gz UBWJLHDPSGXGEG-NSHDSACASA-N 1 2 284.356 0.508 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCS1 ZINC000884142811 613878316 /nfs/dbraw/zinc/87/83/16/613878316.db2.gz MCAQKYRLFKQXNS-ZJUUUORDSA-N 1 2 272.370 0.445 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000884379947 613878557 /nfs/dbraw/zinc/87/85/57/613878557.db2.gz OSWGDVAKIGVUKS-SRVKXCTJSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000884458481 613878718 /nfs/dbraw/zinc/87/87/18/613878718.db2.gz GBKGAFJQHICNJX-ZRUFSTJUSA-N 1 2 270.329 0.115 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCSC1 ZINC000884142963 613878844 /nfs/dbraw/zinc/87/88/44/613878844.db2.gz RBESACTZYGNGMN-IUCAKERBSA-N 1 2 258.343 0.055 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)nc1 ZINC000884070524 613879004 /nfs/dbraw/zinc/87/90/04/613879004.db2.gz ODGSSOQWHTUWRE-VIFPVBQESA-N 1 2 267.260 0.606 20 30 CCEDLO C=CCOCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842971282 613879621 /nfs/dbraw/zinc/87/96/21/613879621.db2.gz QCNHEIWJKOBLPU-STQMWFEESA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCOCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842971282 613879622 /nfs/dbraw/zinc/87/96/22/613879622.db2.gz QCNHEIWJKOBLPU-STQMWFEESA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCONC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000875649384 613883400 /nfs/dbraw/zinc/88/34/00/613883400.db2.gz LVFSQLJNCUWZDI-UHFFFAOYSA-N 1 2 291.355 0.464 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000838707025 613883922 /nfs/dbraw/zinc/88/39/22/613883922.db2.gz FKRFKAWBIWGCCC-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000838707025 613883923 /nfs/dbraw/zinc/88/39/23/613883923.db2.gz FKRFKAWBIWGCCC-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847708020 613885471 /nfs/dbraw/zinc/88/54/71/613885471.db2.gz RBFBTXJBJSJXIZ-SNVBAGLBSA-N 1 2 285.369 0.305 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847708020 613885472 /nfs/dbraw/zinc/88/54/72/613885472.db2.gz RBFBTXJBJSJXIZ-SNVBAGLBSA-N 1 2 285.369 0.305 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1CCC(C)CC1 ZINC000121352437 614430634 /nfs/dbraw/zinc/43/06/34/614430634.db2.gz CKWLLJFUBVJRDK-SNVBAGLBSA-N 1 2 257.334 0.305 20 30 CCEDLO CC[N@@H+](CC(=O)OC)C[C@H](O)COc1ccccc1C#N ZINC000859118899 614948900 /nfs/dbraw/zinc/94/89/00/614948900.db2.gz STTRILASRIGMIZ-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@H+](CC(=O)OC)C[C@H](O)COc1ccccc1C#N ZINC000859118899 614948903 /nfs/dbraw/zinc/94/89/03/614948903.db2.gz STTRILASRIGMIZ-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000878816234 615230150 /nfs/dbraw/zinc/23/01/50/615230150.db2.gz DOWTWVCWZKNGFU-NEPJUHHUSA-N 1 2 296.371 0.567 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879430232 615395666 /nfs/dbraw/zinc/39/56/66/615395666.db2.gz GYASSYIUPIPURY-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879430232 615395670 /nfs/dbraw/zinc/39/56/70/615395670.db2.gz GYASSYIUPIPURY-AAEUAGOBSA-N 1 2 270.329 0.569 20 30 CCEDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000886470532 615911500 /nfs/dbraw/zinc/91/15/00/615911500.db2.gz QGUZPSSDCPBZQL-LBPRGKRZSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000886470532 615911502 /nfs/dbraw/zinc/91/15/02/615911502.db2.gz QGUZPSSDCPBZQL-LBPRGKRZSA-N 1 2 294.380 0.668 20 30 CCEDLO CN(C)c1noc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000819239642 616038316 /nfs/dbraw/zinc/03/83/16/616038316.db2.gz OXBAJSHVQNZFFO-GFCCVEGCSA-N 1 2 287.323 0.830 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(CC#N)c2)[C@@H](CO)C1 ZINC000912747148 616230480 /nfs/dbraw/zinc/23/04/80/616230480.db2.gz ARFYRJGGIKIMGY-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(CC#N)c2)[C@@H](CO)C1 ZINC000912747148 616230481 /nfs/dbraw/zinc/23/04/81/616230481.db2.gz ARFYRJGGIKIMGY-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[NH+]1CCN(N=C2C(=O)Nc3cc(O)c(F)cc32)CC1 ZINC000834916285 616246288 /nfs/dbraw/zinc/24/62/88/616246288.db2.gz YCYUODWQSOHZNS-UHFFFAOYSA-N 1 2 278.287 0.435 20 30 CCEDLO COC(=O)/C=C(\C)C[NH+]1CCN(CCC#N)CC1 ZINC000931551586 616312621 /nfs/dbraw/zinc/31/26/21/616312621.db2.gz YAVXNEQMDUPJRB-ZRDIBKRKSA-N 1 2 251.330 0.637 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000930958698 616326329 /nfs/dbraw/zinc/32/63/29/616326329.db2.gz NZSGUUBOYJWJSW-NSHDSACASA-N 1 2 269.345 0.442 20 30 CCEDLO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895162684 616905765 /nfs/dbraw/zinc/90/57/65/616905765.db2.gz NBWVPXHNUNSOTI-VIFPVBQESA-N 1 2 268.269 0.536 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000802310488 616924834 /nfs/dbraw/zinc/92/48/34/616924834.db2.gz WDTHKOFJTKPZJL-SRVKXCTJSA-N 1 2 299.371 0.342 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)CCC1(O)CCC1 ZINC000929774587 616992842 /nfs/dbraw/zinc/99/28/42/616992842.db2.gz CFEHWHVMCCQISX-ZDUSSCGKSA-N 1 2 270.373 0.905 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CCC1(O)CCC1 ZINC000929774587 616992843 /nfs/dbraw/zinc/99/28/43/616992843.db2.gz CFEHWHVMCCQISX-ZDUSSCGKSA-N 1 2 270.373 0.905 20 30 CCEDLO COCC[N@H+](CCC(=O)OC)Cc1ccncc1C#N ZINC000827919756 616999526 /nfs/dbraw/zinc/99/95/26/616999526.db2.gz OPWKEFOZCZLVFW-UHFFFAOYSA-N 1 2 277.324 0.965 20 30 CCEDLO COCC[N@@H+](CCC(=O)OC)Cc1ccncc1C#N ZINC000827919756 616999531 /nfs/dbraw/zinc/99/95/31/616999531.db2.gz OPWKEFOZCZLVFW-UHFFFAOYSA-N 1 2 277.324 0.965 20 30 CCEDLO C[C@@H](CC#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931156219 625483008 /nfs/dbraw/zinc/48/30/08/625483008.db2.gz DIHKDJLAWKRMTL-XQQFMLRXSA-N 1 2 281.356 0.285 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCCC ZINC000934509755 622729276 /nfs/dbraw/zinc/72/92/76/622729276.db2.gz CMJPIAKWWUVABH-NSHDSACASA-N 1 2 251.330 0.710 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCCC ZINC000934509755 622729282 /nfs/dbraw/zinc/72/92/82/622729282.db2.gz CMJPIAKWWUVABH-NSHDSACASA-N 1 2 251.330 0.710 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269708 622739801 /nfs/dbraw/zinc/73/98/01/622739801.db2.gz QQDCTKHKQVHVQK-HIFRSBDPSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269708 622739806 /nfs/dbraw/zinc/73/98/06/622739806.db2.gz QQDCTKHKQVHVQK-HIFRSBDPSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972295408 622747167 /nfs/dbraw/zinc/74/71/67/622747167.db2.gz TVXDVFZLTLBQEW-HIFRSBDPSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972295408 622747174 /nfs/dbraw/zinc/74/71/74/622747174.db2.gz TVXDVFZLTLBQEW-HIFRSBDPSA-N 1 2 280.368 0.348 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC000972449661 622845917 /nfs/dbraw/zinc/84/59/17/622845917.db2.gz MICULVMUCQECQQ-OLZOCXBDSA-N 1 2 275.356 0.890 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364797 623295807 /nfs/dbraw/zinc/29/58/07/623295807.db2.gz WKMVUEWMIVETRQ-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364797 623295817 /nfs/dbraw/zinc/29/58/17/623295817.db2.gz WKMVUEWMIVETRQ-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001024454587 623327510 /nfs/dbraw/zinc/32/75/10/623327510.db2.gz GCQUIDBNVMYJPW-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001024454587 623327515 /nfs/dbraw/zinc/32/75/15/623327515.db2.gz GCQUIDBNVMYJPW-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571673 624532151 /nfs/dbraw/zinc/53/21/51/624532151.db2.gz SKMMFCOVZQOBRC-GMTAPVOTSA-N 1 2 273.340 0.590 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000969992449 624570118 /nfs/dbraw/zinc/57/01/18/624570118.db2.gz MLNOEELQVWHALY-NEPJUHHUSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NCC#N)C1 ZINC000970224602 624660286 /nfs/dbraw/zinc/66/02/86/624660286.db2.gz TYRUEPWUVBZTPA-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NCC#N)C1 ZINC000970224602 624660287 /nfs/dbraw/zinc/66/02/87/624660287.db2.gz TYRUEPWUVBZTPA-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO C=C(Br)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187702475 624824583 /nfs/dbraw/zinc/82/45/83/624824583.db2.gz IPJOITVTQBXGBJ-JTQLQIEISA-N 1 2 263.179 0.893 20 30 CCEDLO C=C(Br)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187702475 624824587 /nfs/dbraw/zinc/82/45/87/624824587.db2.gz IPJOITVTQBXGBJ-JTQLQIEISA-N 1 2 263.179 0.893 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]2CO)cc1 ZINC000934025277 625003102 /nfs/dbraw/zinc/00/31/02/625003102.db2.gz DJEBMKOIBSTYBH-ZDUSSCGKSA-N 1 2 259.309 0.241 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]2CO)cc1 ZINC000934025277 625003106 /nfs/dbraw/zinc/00/31/06/625003106.db2.gz DJEBMKOIBSTYBH-ZDUSSCGKSA-N 1 2 259.309 0.241 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H]3CO)C2=O)cc1 ZINC000934022333 625005082 /nfs/dbraw/zinc/00/50/82/625005082.db2.gz LJVPCNYAXGPRCC-ZIAGYGMSSA-N 1 2 271.320 0.730 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H]3CO)C2=O)cc1 ZINC000934022333 625005090 /nfs/dbraw/zinc/00/50/90/625005090.db2.gz LJVPCNYAXGPRCC-ZIAGYGMSSA-N 1 2 271.320 0.730 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnns1 ZINC001027770349 630905334 /nfs/dbraw/zinc/90/53/34/630905334.db2.gz QQCAPJRDCYXQOL-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnns1 ZINC001027770349 630905336 /nfs/dbraw/zinc/90/53/36/630905336.db2.gz QQCAPJRDCYXQOL-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cn1 ZINC000980850530 631067413 /nfs/dbraw/zinc/06/74/13/631067413.db2.gz VECKVJNLIHXCGD-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cn1 ZINC000980850530 631067420 /nfs/dbraw/zinc/06/74/20/631067420.db2.gz VECKVJNLIHXCGD-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000895075608 631923690 /nfs/dbraw/zinc/92/36/90/631923690.db2.gz VOVCXWZLVQBWRB-UHFFFAOYSA-N 1 2 260.297 0.345 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cc(F)ncc2F)CCCN1O ZINC000895158923 631992346 /nfs/dbraw/zinc/99/23/46/631992346.db2.gz QUUOBJBXHNFTCM-VIFPVBQESA-N 1 2 257.240 0.830 20 30 CCEDLO N#Cc1cnnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000895959775 632181104 /nfs/dbraw/zinc/18/11/04/632181104.db2.gz GFHLBIJMXDAQTG-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540497 632274470 /nfs/dbraw/zinc/27/44/70/632274470.db2.gz XFOGOQZKUIIRPT-FZMZJTMJSA-N 1 2 289.383 0.559 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540497 632274473 /nfs/dbraw/zinc/27/44/73/632274473.db2.gz XFOGOQZKUIIRPT-FZMZJTMJSA-N 1 2 289.383 0.559 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007566154 650084638 /nfs/dbraw/zinc/08/46/38/650084638.db2.gz CXTIWAAASSZAFI-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001007566154 650084641 /nfs/dbraw/zinc/08/46/41/650084641.db2.gz CXTIWAAASSZAFI-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986358355 632746746 /nfs/dbraw/zinc/74/67/46/632746746.db2.gz ZJROOXASHPCBQA-JQWIXIFHSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986358355 632746749 /nfs/dbraw/zinc/74/67/49/632746749.db2.gz ZJROOXASHPCBQA-JQWIXIFHSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001007834512 650094928 /nfs/dbraw/zinc/09/49/28/650094928.db2.gz WIOUNXHLABWLNW-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001007834512 650094932 /nfs/dbraw/zinc/09/49/32/650094932.db2.gz WIOUNXHLABWLNW-OLZOCXBDSA-N 1 2 298.408 0.025 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987441118 632867370 /nfs/dbraw/zinc/86/73/70/632867370.db2.gz NZXFENJBNQOALV-WCQYABFASA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988752294 633102817 /nfs/dbraw/zinc/10/28/17/633102817.db2.gz SBVVEXNYLWIIIF-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000988825558 633119426 /nfs/dbraw/zinc/11/94/26/633119426.db2.gz MEKPCLJWDCNYPI-MFKMUULPSA-N 1 2 288.351 0.870 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934728 633128632 /nfs/dbraw/zinc/12/86/32/633128632.db2.gz UTACYMQHZGJBCZ-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934728 633128633 /nfs/dbraw/zinc/12/86/33/633128633.db2.gz UTACYMQHZGJBCZ-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000989495605 633319226 /nfs/dbraw/zinc/31/92/26/633319226.db2.gz UCKCIRXYBZKVPX-AXFHLTTASA-N 1 2 289.339 0.217 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658555 633340103 /nfs/dbraw/zinc/34/01/03/633340103.db2.gz ZLXLTAORMCATPN-ZJUUUORDSA-N 1 2 283.763 0.679 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1ccccc1CC#N ZINC000898889649 633683374 /nfs/dbraw/zinc/68/33/74/633683374.db2.gz PTKJTBHNWQJGKQ-CQSZACIVSA-N 1 2 298.346 0.878 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1ccccc1CC#N ZINC000898889648 633684101 /nfs/dbraw/zinc/68/41/01/633684101.db2.gz PTKJTBHNWQJGKQ-AWEZNQCLSA-N 1 2 298.346 0.878 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001008463032 650115798 /nfs/dbraw/zinc/11/57/98/650115798.db2.gz FDONQZOFDIZAAT-NSHDSACASA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001008463032 650115801 /nfs/dbraw/zinc/11/58/01/650115801.db2.gz FDONQZOFDIZAAT-NSHDSACASA-N 1 2 265.357 0.409 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008548623 650119162 /nfs/dbraw/zinc/11/91/62/650119162.db2.gz VMQOTEDHBAOEKZ-AXFHLTTASA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008548623 650119163 /nfs/dbraw/zinc/11/91/63/650119163.db2.gz VMQOTEDHBAOEKZ-AXFHLTTASA-N 1 2 285.775 0.441 20 30 CCEDLO N#CC1(C[C@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)CCC1 ZINC000899908824 633918775 /nfs/dbraw/zinc/91/87/75/633918775.db2.gz RYPCMEKOYALMGU-NSHDSACASA-N 1 2 279.340 0.616 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812237 634098645 /nfs/dbraw/zinc/09/86/45/634098645.db2.gz TZUCSPKLTPCXAI-STQMWFEESA-N 1 2 265.401 0.786 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812237 634098649 /nfs/dbraw/zinc/09/86/49/634098649.db2.gz TZUCSPKLTPCXAI-STQMWFEESA-N 1 2 265.401 0.786 20 30 CCEDLO OCc1csc(C=NNCCCn2cc[nH+]c2)n1 ZINC000905483792 634866240 /nfs/dbraw/zinc/86/62/40/634866240.db2.gz JMKDAOOORLKCKH-UHFFFAOYSA-N 1 2 265.342 0.846 20 30 CCEDLO N#Cc1sccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000906044699 634952603 /nfs/dbraw/zinc/95/26/03/634952603.db2.gz NDOQDNKZVYSBTJ-UHFFFAOYSA-N 1 2 265.338 0.370 20 30 CCEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(C#CCO)c1 ZINC000907529659 635143751 /nfs/dbraw/zinc/14/37/51/635143751.db2.gz USUXMRHWNLXRKD-HNNXBMFYSA-N 1 2 295.342 0.972 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000908346264 635357358 /nfs/dbraw/zinc/35/73/58/635357358.db2.gz JUSFVUMUNXABRS-CYBMUJFWSA-N 1 2 297.318 0.899 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911607406 636303240 /nfs/dbraw/zinc/30/32/40/636303240.db2.gz UOGIKZMKWWWPQW-QLKUMGTLSA-N 1 2 280.368 0.155 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccsc1C#N ZINC000912611339 636619734 /nfs/dbraw/zinc/61/97/34/636619734.db2.gz CHWVEMBSAJTNKR-VIFPVBQESA-N 1 2 276.321 0.817 20 30 CCEDLO C#CC1(O)CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000912972055 636719012 /nfs/dbraw/zinc/71/90/12/636719012.db2.gz UPRZTHNWEDYEHG-OWBHPGMISA-N 1 2 292.379 0.252 20 30 CCEDLO CC(C)(C#N)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452916 636809473 /nfs/dbraw/zinc/80/94/73/636809473.db2.gz MOYADTYUWDGNIV-LLVKDONJSA-N 1 2 261.329 0.822 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1 ZINC000913445489 636816466 /nfs/dbraw/zinc/81/64/66/636816466.db2.gz QYLLTSOIXAHGFP-HNNXBMFYSA-N 1 2 295.346 0.997 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)CC[NH2+]2)cn1 ZINC000913473710 636822183 /nfs/dbraw/zinc/82/21/83/636822183.db2.gz CQVCAKJZNWSGPW-ZDUSSCGKSA-N 1 2 299.378 0.977 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993677140 637830399 /nfs/dbraw/zinc/83/03/99/637830399.db2.gz YAOHOXUHDMUJPM-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993677140 637830402 /nfs/dbraw/zinc/83/04/02/637830402.db2.gz YAOHOXUHDMUJPM-DOMZBBRYSA-N 1 2 299.374 0.736 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)C1 ZINC000993791851 637843854 /nfs/dbraw/zinc/84/38/54/637843854.db2.gz QZZQYWAUPKPOLD-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)C1 ZINC000993791851 637843860 /nfs/dbraw/zinc/84/38/60/637843860.db2.gz QZZQYWAUPKPOLD-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993791822 637844422 /nfs/dbraw/zinc/84/44/22/637844422.db2.gz QZZQYWAUPKPOLD-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC000993791822 637844425 /nfs/dbraw/zinc/84/44/25/637844425.db2.gz QZZQYWAUPKPOLD-NEPJUHHUSA-N 1 2 279.384 0.797 20 30 CCEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1CC#N ZINC000994099134 637869445 /nfs/dbraw/zinc/86/94/45/637869445.db2.gz KSRDJAYMUOZKBW-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015701644 637872212 /nfs/dbraw/zinc/87/22/12/637872212.db2.gz RVSWHPDMHLRXJH-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015701644 637872217 /nfs/dbraw/zinc/87/22/17/637872217.db2.gz RVSWHPDMHLRXJH-LLVKDONJSA-N 1 2 259.309 0.989 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1CC#N ZINC000994213992 637877123 /nfs/dbraw/zinc/87/71/23/637877123.db2.gz UZMQFILYKQEVSU-AAEUAGOBSA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000998746955 638938815 /nfs/dbraw/zinc/93/88/15/638938815.db2.gz QJHNNCFAGDMXHD-ZJUUUORDSA-N 1 2 279.369 0.778 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999125635 638962668 /nfs/dbraw/zinc/96/26/68/638962668.db2.gz BGVWCEGTOOJRIN-CYBMUJFWSA-N 1 2 288.351 0.872 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999838292 639002363 /nfs/dbraw/zinc/00/23/63/639002363.db2.gz UTSBVFRTPWYULQ-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000793974 639167676 /nfs/dbraw/zinc/16/76/76/639167676.db2.gz FWKOIAFFTDUUDG-LLVKDONJSA-N 1 2 261.329 0.365 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855672 639179358 /nfs/dbraw/zinc/17/93/58/639179358.db2.gz RUKSWTVZLXVTSB-CQSZACIVSA-N 1 2 299.378 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001098574 639229085 /nfs/dbraw/zinc/22/90/85/639229085.db2.gz CYHZFTJYJYEDNH-LLVKDONJSA-N 1 2 298.774 0.169 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001098574 639229088 /nfs/dbraw/zinc/22/90/88/639229088.db2.gz CYHZFTJYJYEDNH-LLVKDONJSA-N 1 2 298.774 0.169 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001004181143 639710907 /nfs/dbraw/zinc/71/09/07/639710907.db2.gz GIOWGKCTTXZFGT-ZDUSSCGKSA-N 1 2 298.408 0.168 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001014857155 640070524 /nfs/dbraw/zinc/07/05/24/640070524.db2.gz SNYCINPBTGTLQW-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001014857155 640070530 /nfs/dbraw/zinc/07/05/30/640070530.db2.gz SNYCINPBTGTLQW-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946908838 640168486 /nfs/dbraw/zinc/16/84/86/640168486.db2.gz RMEPLETTZLTPIP-OKILXGFUSA-N 1 2 287.367 0.577 20 30 CCEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1F ZINC000121339312 640270091 /nfs/dbraw/zinc/27/00/91/640270091.db2.gz NNVYRUXMCNWZRI-UHFFFAOYSA-N 1 2 269.276 0.744 20 30 CCEDLO CC#CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000801285125 640641254 /nfs/dbraw/zinc/64/12/54/640641254.db2.gz LEARFVYENTVDLT-UHFFFAOYSA-N 1 2 271.320 0.492 20 30 CCEDLO CC#CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000801285125 640641259 /nfs/dbraw/zinc/64/12/59/640641259.db2.gz LEARFVYENTVDLT-UHFFFAOYSA-N 1 2 271.320 0.492 20 30 CCEDLO C#CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807283685 640822499 /nfs/dbraw/zinc/82/24/99/640822499.db2.gz JUDSGUFPLXDLPS-NSHDSACASA-N 1 2 263.297 0.344 20 30 CCEDLO Cc1ccccc1-n1cc(C=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000807981827 640843627 /nfs/dbraw/zinc/84/36/27/640843627.db2.gz STAYOVBXYAYERT-NSHDSACASA-N 1 2 283.339 0.847 20 30 CCEDLO N#Cc1nc(F)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000809212944 640893332 /nfs/dbraw/zinc/89/33/32/640893332.db2.gz MOSULXHLFFJZJT-SNVBAGLBSA-N 1 2 281.287 0.164 20 30 CCEDLO Cc1nc(CN2CC[NH+](C[C@H](O)CC#N)CC2)oc1C ZINC000809574285 640899746 /nfs/dbraw/zinc/89/97/46/640899746.db2.gz KCLDZCRCLWRZOK-CYBMUJFWSA-N 1 2 278.356 0.684 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000811589104 640982045 /nfs/dbraw/zinc/98/20/45/640982045.db2.gz JTJBQIHIUUKBDY-UHFFFAOYSA-N 1 2 256.265 0.927 20 30 CCEDLO Cn1c[nH+]cc1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000811846602 640989850 /nfs/dbraw/zinc/98/98/50/640989850.db2.gz VYQSWUDVDHYSMN-UHFFFAOYSA-N 1 2 291.336 0.551 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015836778 650638104 /nfs/dbraw/zinc/63/81/04/650638104.db2.gz KHYAIOQIJOKFRU-VIFPVBQESA-N 1 2 277.349 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015836778 650638106 /nfs/dbraw/zinc/63/81/06/650638106.db2.gz KHYAIOQIJOKFRU-VIFPVBQESA-N 1 2 277.349 0.284 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015999571 650672099 /nfs/dbraw/zinc/67/20/99/650672099.db2.gz VTNGCNRLTVLCNL-LLVKDONJSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015999571 650672100 /nfs/dbraw/zinc/67/21/00/650672100.db2.gz VTNGCNRLTVLCNL-LLVKDONJSA-N 1 2 282.775 0.906 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001016261073 650708228 /nfs/dbraw/zinc/70/82/28/650708228.db2.gz VSKNOXQQQZVOHM-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001016261073 650708230 /nfs/dbraw/zinc/70/82/30/650708230.db2.gz VSKNOXQQQZVOHM-CYBMUJFWSA-N 1 2 260.341 0.405 20 30 CCEDLO N#C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCN1C1CC1 ZINC000827384869 642003726 /nfs/dbraw/zinc/00/37/26/642003726.db2.gz ZCVISIJVOQAGIE-NSHDSACASA-N 1 2 259.313 0.151 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1 ZINC001017427021 650801740 /nfs/dbraw/zinc/80/17/40/650801740.db2.gz ISFKOYMEUQDUGY-OKILXGFUSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1 ZINC001017427021 650801741 /nfs/dbraw/zinc/80/17/41/650801741.db2.gz ISFKOYMEUQDUGY-OKILXGFUSA-N 1 2 272.352 0.825 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001017498386 650806244 /nfs/dbraw/zinc/80/62/44/650806244.db2.gz YRBLTOKQYZRVIT-BETUJISGSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001017498386 650806247 /nfs/dbraw/zinc/80/62/47/650806247.db2.gz YRBLTOKQYZRVIT-BETUJISGSA-N 1 2 258.325 0.951 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1C ZINC001017520995 650808496 /nfs/dbraw/zinc/80/84/96/650808496.db2.gz KVORIGGTRVYGQO-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1C ZINC001017520995 650808497 /nfs/dbraw/zinc/80/84/97/650808497.db2.gz KVORIGGTRVYGQO-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nn1 ZINC001017525274 650808650 /nfs/dbraw/zinc/80/86/50/650808650.db2.gz GMKIBSMZNPKVPB-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nn1 ZINC001017525274 650808652 /nfs/dbraw/zinc/80/86/52/650808652.db2.gz GMKIBSMZNPKVPB-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000844015147 643144336 /nfs/dbraw/zinc/14/43/36/643144336.db2.gz DHGDCIQMYOBTQR-AWEZNQCLSA-N 1 2 270.292 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706235 650818559 /nfs/dbraw/zinc/81/85/59/650818559.db2.gz LAHVLZHPECWCON-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706235 650818560 /nfs/dbraw/zinc/81/85/60/650818560.db2.gz LAHVLZHPECWCON-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)ccc1=O ZINC001017725323 650819144 /nfs/dbraw/zinc/81/91/44/650819144.db2.gz ABCZHELXCXGXOE-BETUJISGSA-N 1 2 287.363 0.860 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)ccc1=O ZINC001017725323 650819147 /nfs/dbraw/zinc/81/91/47/650819147.db2.gz ABCZHELXCXGXOE-BETUJISGSA-N 1 2 287.363 0.860 20 30 CCEDLO N#CCOc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000844949501 643258721 /nfs/dbraw/zinc/25/87/21/643258721.db2.gz QLWOYSKGUNHMBL-CYBMUJFWSA-N 1 2 292.335 0.661 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCNC1=O ZINC001017936272 650835176 /nfs/dbraw/zinc/83/51/76/650835176.db2.gz FZGZZQGVISBXJP-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCNC1=O ZINC001017936272 650835177 /nfs/dbraw/zinc/83/51/77/650835177.db2.gz FZGZZQGVISBXJP-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000846826198 643460023 /nfs/dbraw/zinc/46/00/23/643460023.db2.gz PVTSBRIJNHMLQE-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001018176562 650846875 /nfs/dbraw/zinc/84/68/75/650846875.db2.gz LXZQBNKGSJDAAC-OKILXGFUSA-N 1 2 286.379 0.661 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001018176562 650846877 /nfs/dbraw/zinc/84/68/77/650846877.db2.gz LXZQBNKGSJDAAC-OKILXGFUSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cc1 ZINC001018254944 650850616 /nfs/dbraw/zinc/85/06/16/650850616.db2.gz ZDRFGPJDJKLZRE-GASCZTMLSA-N 1 2 297.358 0.708 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cc1 ZINC001018254944 650850617 /nfs/dbraw/zinc/85/06/17/650850617.db2.gz ZDRFGPJDJKLZRE-GASCZTMLSA-N 1 2 297.358 0.708 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001018220605 650848736 /nfs/dbraw/zinc/84/87/36/650848736.db2.gz WWNMTDPLHULIJZ-KFWWJZLASA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001018220605 650848737 /nfs/dbraw/zinc/84/87/37/650848737.db2.gz WWNMTDPLHULIJZ-KFWWJZLASA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001018290058 650852077 /nfs/dbraw/zinc/85/20/77/650852077.db2.gz UWWAZSRXPLHILK-YUELXQCFSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001018290058 650852080 /nfs/dbraw/zinc/85/20/80/650852080.db2.gz UWWAZSRXPLHILK-YUELXQCFSA-N 1 2 298.390 0.823 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431829 643962675 /nfs/dbraw/zinc/96/26/75/643962675.db2.gz VCVHTSUJWFRZHD-RYUDHWBXSA-N 1 2 262.313 0.956 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431829 643962684 /nfs/dbraw/zinc/96/26/84/643962684.db2.gz VCVHTSUJWFRZHD-RYUDHWBXSA-N 1 2 262.313 0.956 20 30 CCEDLO N#CCCNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852711182 643989802 /nfs/dbraw/zinc/98/98/02/643989802.db2.gz CJWGCNSVVWBZTH-GFCCVEGCSA-N 1 2 283.278 0.618 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001018633640 650884944 /nfs/dbraw/zinc/88/49/44/650884944.db2.gz YYJPHIXIVJURQS-ZJUUUORDSA-N 1 2 277.328 0.482 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001018633258 650887438 /nfs/dbraw/zinc/88/74/38/650887438.db2.gz VNOIVMJESWVQFL-SCZZXKLOSA-N 1 2 263.301 0.228 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000854649273 644242618 /nfs/dbraw/zinc/24/26/18/644242618.db2.gz UCLAMGUJUXLZIW-OPRDCNLKSA-N 1 2 278.312 0.020 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001019055966 650934259 /nfs/dbraw/zinc/93/42/59/650934259.db2.gz FHPLLZYOFZKVGI-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)[C@@H](C)CO1 ZINC000869241193 645861878 /nfs/dbraw/zinc/86/18/78/645861878.db2.gz AQAFSFICYIHWPQ-GZBFAFLISA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)[C@@H](C)CO1 ZINC000869241193 645861882 /nfs/dbraw/zinc/86/18/82/645861882.db2.gz AQAFSFICYIHWPQ-GZBFAFLISA-N 1 2 295.383 0.532 20 30 CCEDLO N#CC1(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000870059940 645954934 /nfs/dbraw/zinc/95/49/34/645954934.db2.gz PCQROXVIVTWOGR-CYBMUJFWSA-N 1 2 293.367 0.240 20 30 CCEDLO CC(C)(C#N)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870062762 645955485 /nfs/dbraw/zinc/95/54/85/645955485.db2.gz PUSWOIYKWYFMAJ-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(F)c(F)c2O)N1 ZINC000872364741 646252211 /nfs/dbraw/zinc/25/22/11/646252211.db2.gz SNJWPYZPALTJBW-LURJTMIESA-N 1 2 254.240 0.942 20 30 CCEDLO CC1(C#N)CC[NH+](CN2CC3(COC3)CC2=O)CC1 ZINC000872597428 646293538 /nfs/dbraw/zinc/29/35/38/646293538.db2.gz YOAWMWPYLHJKME-UHFFFAOYSA-N 1 2 263.341 0.818 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C1CC1 ZINC000874460822 646467773 /nfs/dbraw/zinc/46/77/73/646467773.db2.gz MIJMMINRNCONGT-YNEHKIRRSA-N 1 2 285.351 0.712 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C1CC1 ZINC000874460822 646467778 /nfs/dbraw/zinc/46/77/78/646467778.db2.gz MIJMMINRNCONGT-YNEHKIRRSA-N 1 2 285.351 0.712 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000874703861 646483616 /nfs/dbraw/zinc/48/36/16/646483616.db2.gz ZIOJRPWWDBJRRK-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000874703861 646483618 /nfs/dbraw/zinc/48/36/18/646483618.db2.gz ZIOJRPWWDBJRRK-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000876762704 646659558 /nfs/dbraw/zinc/65/95/58/646659558.db2.gz KFFIYYRSWYARTC-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+]CC(=O)NC2CC2)c1 ZINC000877531584 646822148 /nfs/dbraw/zinc/82/21/48/646822148.db2.gz PCYFOAPNRPXRMG-UHFFFAOYSA-N 1 2 264.716 0.975 20 30 CCEDLO CC(C)[C@@H](O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000878159356 646874232 /nfs/dbraw/zinc/87/42/32/646874232.db2.gz JJUSPUKARJTPGR-HNNXBMFYSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)[C@@H](O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000878159356 646874233 /nfs/dbraw/zinc/87/42/33/646874233.db2.gz JJUSPUKARJTPGR-HNNXBMFYSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)[C@@H](O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000878159356 646874235 /nfs/dbraw/zinc/87/42/35/646874235.db2.gz JJUSPUKARJTPGR-HNNXBMFYSA-N 1 2 283.416 0.941 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613640 647084346 /nfs/dbraw/zinc/08/43/46/647084346.db2.gz DEBZGGHWZLAPBE-XQQFMLRXSA-N 1 2 295.383 0.145 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879613640 647084349 /nfs/dbraw/zinc/08/43/49/647084349.db2.gz DEBZGGHWZLAPBE-XQQFMLRXSA-N 1 2 295.383 0.145 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689835 647094250 /nfs/dbraw/zinc/09/42/50/647094250.db2.gz WZYNCXVSWKIXPX-AWEZNQCLSA-N 1 2 299.378 0.896 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689835 647094254 /nfs/dbraw/zinc/09/42/54/647094254.db2.gz WZYNCXVSWKIXPX-AWEZNQCLSA-N 1 2 299.378 0.896 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880487932 647212602 /nfs/dbraw/zinc/21/26/02/647212602.db2.gz SHDYFYJUQVNWDL-ZDUSSCGKSA-N 1 2 257.293 0.729 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880487932 647212611 /nfs/dbraw/zinc/21/26/11/647212611.db2.gz SHDYFYJUQVNWDL-ZDUSSCGKSA-N 1 2 257.293 0.729 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2CCOC2=O)nn1 ZINC000881320335 647302089 /nfs/dbraw/zinc/30/20/89/647302089.db2.gz IJIFMJYRYJMJMN-LLVKDONJSA-N 1 2 262.313 0.344 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1C ZINC000883059098 647485609 /nfs/dbraw/zinc/48/56/09/647485609.db2.gz LTVDIZILKXIFOL-LLVKDONJSA-N 1 2 259.309 0.979 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)CCC1 ZINC000886099295 647901154 /nfs/dbraw/zinc/90/11/54/647901154.db2.gz WZLUMNKTVNHHBK-WDEREUQCSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)CCC1 ZINC000886099295 647901160 /nfs/dbraw/zinc/90/11/60/647901160.db2.gz WZLUMNKTVNHHBK-WDEREUQCSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000930634298 648884429 /nfs/dbraw/zinc/88/44/29/648884429.db2.gz PZHBANRFWMQMHW-SNVBAGLBSA-N 1 2 265.292 0.012 20 30 CCEDLO N#CC1(CCCC[NH+]2CC(S(N)(=O)=O)C2)CCC1 ZINC000930735796 648897842 /nfs/dbraw/zinc/89/78/42/648897842.db2.gz ZZIBOJWYVRPQFK-UHFFFAOYSA-N 1 2 271.386 0.823 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)CCN1c1ccccc1 ZINC000934322347 649170497 /nfs/dbraw/zinc/17/04/97/649170497.db2.gz FXEVYEASIPFYHI-CYBMUJFWSA-N 1 2 272.352 0.837 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)CCN1c1ccccc1 ZINC000934322347 649170498 /nfs/dbraw/zinc/17/04/98/649170498.db2.gz FXEVYEASIPFYHI-CYBMUJFWSA-N 1 2 272.352 0.837 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000934508885 649178055 /nfs/dbraw/zinc/17/80/55/649178055.db2.gz GTTSSWROPGHTQP-VIFPVBQESA-N 1 2 291.273 0.862 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000934508885 649178060 /nfs/dbraw/zinc/17/80/60/649178060.db2.gz GTTSSWROPGHTQP-VIFPVBQESA-N 1 2 291.273 0.862 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951872635 649568735 /nfs/dbraw/zinc/56/87/35/649568735.db2.gz NDPDBJBNZCGVGP-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000194108688 649569898 /nfs/dbraw/zinc/56/98/98/649569898.db2.gz HMHOCMGZTAPSOO-UHFFFAOYSA-N 1 2 289.335 0.339 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1OCC ZINC001017377935 649814011 /nfs/dbraw/zinc/81/40/11/649814011.db2.gz ZYEBFIJKLDXQKJ-RQJABVFESA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1OCC ZINC001017377935 649814014 /nfs/dbraw/zinc/81/40/14/649814014.db2.gz ZYEBFIJKLDXQKJ-RQJABVFESA-N 1 2 262.353 0.720 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001266262168 790347267 /nfs/dbraw/zinc/34/72/67/790347267.db2.gz IYIOQZSDRAMKSL-SECBINFHSA-N 1 2 259.737 0.066 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001266262168 790347254 /nfs/dbraw/zinc/34/72/54/790347254.db2.gz IYIOQZSDRAMKSL-SECBINFHSA-N 1 2 259.737 0.066 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CC2(F)F)CC1 ZINC001266283318 790397886 /nfs/dbraw/zinc/39/78/86/790397886.db2.gz MNZPPYPTGGVNRC-LBPRGKRZSA-N 1 2 285.338 0.399 20 30 CCEDLO C[N@H+](CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)CC(=O)NCC#N ZINC001266291026 790428741 /nfs/dbraw/zinc/42/87/41/790428741.db2.gz SAFUDOKMHONKEA-AGIUHOORSA-N 1 2 292.383 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)CC(=O)NCC#N ZINC001266291026 790428751 /nfs/dbraw/zinc/42/87/51/790428751.db2.gz SAFUDOKMHONKEA-AGIUHOORSA-N 1 2 292.383 0.110 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@H](C(N)=O)C3)c2c1 ZINC001167074137 790436522 /nfs/dbraw/zinc/43/65/22/790436522.db2.gz LHBQHBCFGJVPAI-ZDUSSCGKSA-N 1 2 282.303 0.797 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001266298099 790453935 /nfs/dbraw/zinc/45/39/35/790453935.db2.gz AEHKPSCSXMQJKO-KBPBESRZSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001266298099 790453943 /nfs/dbraw/zinc/45/39/43/790453943.db2.gz AEHKPSCSXMQJKO-KBPBESRZSA-N 1 2 291.395 0.220 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001266302074 790468376 /nfs/dbraw/zinc/46/83/76/790468376.db2.gz IIDBTMZLLLMYIX-LLVKDONJSA-N 1 2 253.346 0.135 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001266302074 790468382 /nfs/dbraw/zinc/46/83/82/790468382.db2.gz IIDBTMZLLLMYIX-LLVKDONJSA-N 1 2 253.346 0.135 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001266308008 790481667 /nfs/dbraw/zinc/48/16/67/790481667.db2.gz OEKHCWPVRZUCRX-LBPRGKRZSA-N 1 2 277.372 0.955 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001266308008 790481672 /nfs/dbraw/zinc/48/16/72/790481672.db2.gz OEKHCWPVRZUCRX-LBPRGKRZSA-N 1 2 277.372 0.955 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)CC ZINC001266315990 790492042 /nfs/dbraw/zinc/49/20/42/790492042.db2.gz NAQJBKXWEUTKJS-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)CC ZINC001266315990 790492049 /nfs/dbraw/zinc/49/20/49/790492049.db2.gz NAQJBKXWEUTKJS-UHFFFAOYSA-N 1 2 267.373 0.220 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1CC2(CCC2)C1 ZINC001266312153 790486797 /nfs/dbraw/zinc/48/67/97/790486797.db2.gz SJQVBLNHUMSELO-UHFFFAOYSA-N 1 2 291.395 0.364 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC2(CCC2)C1 ZINC001266312153 790486801 /nfs/dbraw/zinc/48/68/01/790486801.db2.gz SJQVBLNHUMSELO-UHFFFAOYSA-N 1 2 291.395 0.364 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001266336654 790534757 /nfs/dbraw/zinc/53/47/57/790534757.db2.gz STBAAPPKQVVWMQ-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001266336654 790534764 /nfs/dbraw/zinc/53/47/64/790534764.db2.gz STBAAPPKQVVWMQ-AWEZNQCLSA-N 1 2 289.379 0.120 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001266342093 790545012 /nfs/dbraw/zinc/54/50/12/790545012.db2.gz HMKRUBHVBQFCNW-OLZOCXBDSA-N 1 2 279.384 0.076 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001266342093 790545018 /nfs/dbraw/zinc/54/50/18/790545018.db2.gz HMKRUBHVBQFCNW-OLZOCXBDSA-N 1 2 279.384 0.076 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001039066382 790564990 /nfs/dbraw/zinc/56/49/90/790564990.db2.gz GPKUDUGXPKCWRP-NSHDSACASA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001039066382 790564996 /nfs/dbraw/zinc/56/49/96/790564996.db2.gz GPKUDUGXPKCWRP-NSHDSACASA-N 1 2 286.335 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001039105752 790625600 /nfs/dbraw/zinc/62/56/00/790625600.db2.gz SOOFQUFBMTZKCF-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001039105752 790625607 /nfs/dbraw/zinc/62/56/07/790625607.db2.gz SOOFQUFBMTZKCF-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 ZINC001083197382 790680172 /nfs/dbraw/zinc/68/01/72/790680172.db2.gz MYJVBIIQOBKTFS-BARDWOONSA-N 1 2 292.379 0.346 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 ZINC001083197382 790680179 /nfs/dbraw/zinc/68/01/79/790680179.db2.gz MYJVBIIQOBKTFS-BARDWOONSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC001038195464 790918421 /nfs/dbraw/zinc/91/84/21/790918421.db2.gz UKMSABIAQJXGHX-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC001038195464 790918429 /nfs/dbraw/zinc/91/84/29/790918429.db2.gz UKMSABIAQJXGHX-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230705315 805653426 /nfs/dbraw/zinc/65/34/26/805653426.db2.gz KKCLKYMXQOZVPF-VXGBXAGGSA-N 1 2 299.440 0.573 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230705315 805653427 /nfs/dbraw/zinc/65/34/27/805653427.db2.gz KKCLKYMXQOZVPF-VXGBXAGGSA-N 1 2 299.440 0.573 20 30 CCEDLO C#Cc1cccc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c1 ZINC001231662533 805827154 /nfs/dbraw/zinc/82/71/54/805827154.db2.gz HJDICYYGDLOSJS-UHFFFAOYSA-N 1 2 283.375 0.626 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001277570220 805857803 /nfs/dbraw/zinc/85/78/03/805857803.db2.gz ANBUMXAZYILNCK-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO Cc1[nH]c(CN2CCN(c3nccnc3C#N)CC2)c[nH+]1 ZINC001232464266 805941792 /nfs/dbraw/zinc/94/17/92/805941792.db2.gz WSRWBJVUROMSDZ-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO Cc1[nH]cc(CN2CCN(c3nccnc3C#N)CC2)[nH+]1 ZINC001232464266 805941797 /nfs/dbraw/zinc/94/17/97/805941797.db2.gz WSRWBJVUROMSDZ-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482255 805947256 /nfs/dbraw/zinc/94/72/56/805947256.db2.gz UNNSKAFXAQJWCK-LBPRGKRZSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482255 805947264 /nfs/dbraw/zinc/94/72/64/805947264.db2.gz UNNSKAFXAQJWCK-LBPRGKRZSA-N 1 2 273.340 0.847 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](CNCC#N)C1CC1 ZINC001277703571 805973523 /nfs/dbraw/zinc/97/35/23/805973523.db2.gz WSKXNZJKPRSWCX-GFCCVEGCSA-N 1 2 261.329 0.302 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC001232844763 805987116 /nfs/dbraw/zinc/98/71/16/805987116.db2.gz CTKTVNAIFBSTHS-GFCCVEGCSA-N 1 2 279.365 0.909 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)s1 ZINC001232844763 805987119 /nfs/dbraw/zinc/98/71/19/805987119.db2.gz CTKTVNAIFBSTHS-GFCCVEGCSA-N 1 2 279.365 0.909 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC001266937153 791372467 /nfs/dbraw/zinc/37/24/67/791372467.db2.gz CWLFDKPCZROWNY-WDEREUQCSA-N 1 2 296.396 0.733 20 30 CCEDLO C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)NCC#N ZINC001266941285 791376594 /nfs/dbraw/zinc/37/65/94/791376594.db2.gz QIPZPZUFNRGFDT-GWCFXTLKSA-N 1 2 290.371 0.408 20 30 CCEDLO C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)NCC#N ZINC001266941285 791376602 /nfs/dbraw/zinc/37/66/02/791376602.db2.gz QIPZPZUFNRGFDT-GWCFXTLKSA-N 1 2 290.371 0.408 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001100556438 791379959 /nfs/dbraw/zinc/37/99/59/791379959.db2.gz QJFACOYSCPBCGF-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2cnon2)nc1 ZINC001266986129 791422861 /nfs/dbraw/zinc/42/28/61/791422861.db2.gz UAUTWRWPJOASMP-JTQLQIEISA-N 1 2 285.307 0.354 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549045 806080504 /nfs/dbraw/zinc/08/05/04/806080504.db2.gz JWAFFGNLCVYNFC-TZQNSNDFSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549045 806080512 /nfs/dbraw/zinc/08/05/12/806080512.db2.gz JWAFFGNLCVYNFC-TZQNSNDFSA-N 1 2 277.368 0.235 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)on3)[C@H]2C1 ZINC001083251144 791638636 /nfs/dbraw/zinc/63/86/36/791638636.db2.gz CXOPPXZJNFYAOB-UONOGXRCSA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)on3)[C@H]2C1 ZINC001083251144 791638644 /nfs/dbraw/zinc/63/86/44/791638644.db2.gz CXOPPXZJNFYAOB-UONOGXRCSA-N 1 2 291.351 0.948 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001038250603 791715857 /nfs/dbraw/zinc/71/58/57/791715857.db2.gz MTLUUGPBWHKSDC-LBPRGKRZSA-N 1 2 287.367 0.370 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001038250603 791715865 /nfs/dbraw/zinc/71/58/65/791715865.db2.gz MTLUUGPBWHKSDC-LBPRGKRZSA-N 1 2 287.367 0.370 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233948267 806156454 /nfs/dbraw/zinc/15/64/54/806156454.db2.gz UEZFAPIOJDCRPM-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233948267 806156458 /nfs/dbraw/zinc/15/64/58/806156458.db2.gz UEZFAPIOJDCRPM-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233967303 806158993 /nfs/dbraw/zinc/15/89/93/806158993.db2.gz YNDWKWXBHMGHOF-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233967303 806158995 /nfs/dbraw/zinc/15/89/95/806158995.db2.gz YNDWKWXBHMGHOF-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234079587 806180474 /nfs/dbraw/zinc/18/04/74/806180474.db2.gz YWFOGZVBXVTLLT-VXGBXAGGSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234079587 806180478 /nfs/dbraw/zinc/18/04/78/806180478.db2.gz YWFOGZVBXVTLLT-VXGBXAGGSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001234111523 806184465 /nfs/dbraw/zinc/18/44/65/806184465.db2.gz KOOBGPAZVLIIQV-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC001234111523 806184468 /nfs/dbraw/zinc/18/44/68/806184468.db2.gz KOOBGPAZVLIIQV-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO Cn1cc(C[N@H+](C)CCCNC(=O)CSCC#N)nn1 ZINC001234154937 806191990 /nfs/dbraw/zinc/19/19/90/806191990.db2.gz RMWFSUISOMBDFN-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO Cn1cc(C[N@@H+](C)CCCNC(=O)CSCC#N)nn1 ZINC001234154937 806191993 /nfs/dbraw/zinc/19/19/93/806191993.db2.gz RMWFSUISOMBDFN-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234537091 806268621 /nfs/dbraw/zinc/26/86/21/806268621.db2.gz KHUITQRFUJBJPE-RYUDHWBXSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234537091 806268624 /nfs/dbraw/zinc/26/86/24/806268624.db2.gz KHUITQRFUJBJPE-RYUDHWBXSA-N 1 2 281.400 0.995 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4n[nH]cc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234658591 806294874 /nfs/dbraw/zinc/29/48/74/806294874.db2.gz GCWGKKCSZHVCHL-PEUDNIOHSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4n[nH]cc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234658591 806294885 /nfs/dbraw/zinc/29/48/85/806294885.db2.gz GCWGKKCSZHVCHL-PEUDNIOHSA-N 1 2 272.308 0.949 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277883563 806299062 /nfs/dbraw/zinc/29/90/62/806299062.db2.gz KJVBJBSIOIFFKT-GXTWGEPZSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c[nH]c(C(=O)OCC)c2)CC1 ZINC001234948844 806319718 /nfs/dbraw/zinc/31/97/18/806319718.db2.gz MBKIQURSBRLVHA-UHFFFAOYSA-N 1 2 275.352 0.942 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237616783 806701904 /nfs/dbraw/zinc/70/19/04/806701904.db2.gz GZXNEEZCDHAOBF-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237616783 806701907 /nfs/dbraw/zinc/70/19/07/806701907.db2.gz GZXNEEZCDHAOBF-CYBMUJFWSA-N 1 2 283.335 0.916 20 30 CCEDLO C#CCN(CC#C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001121714910 799066035 /nfs/dbraw/zinc/06/60/35/799066035.db2.gz IXWWZDVDWPFJSA-UHFFFAOYSA-N 1 2 294.362 0.861 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001123795731 799476548 /nfs/dbraw/zinc/47/65/48/799476548.db2.gz SDWYHNJPLPGOMD-UONOGXRCSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001123795731 799476551 /nfs/dbraw/zinc/47/65/51/799476551.db2.gz SDWYHNJPLPGOMD-UONOGXRCSA-N 1 2 280.416 0.674 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001124636424 799616881 /nfs/dbraw/zinc/61/68/81/799616881.db2.gz NZRGJIJKJKDUSI-UHFFFAOYSA-N 1 2 267.333 0.308 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001278246763 806789282 /nfs/dbraw/zinc/78/92/82/806789282.db2.gz HSOTXJSBAJWWCS-XJKSGUPXSA-N 1 2 299.378 0.757 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001278246763 806789284 /nfs/dbraw/zinc/78/92/84/806789284.db2.gz HSOTXJSBAJWWCS-XJKSGUPXSA-N 1 2 299.378 0.757 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001278255665 806793656 /nfs/dbraw/zinc/79/36/56/806793656.db2.gz DMPHBLUSARNWEY-OLZOCXBDSA-N 1 2 299.396 0.167 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001278255665 806793659 /nfs/dbraw/zinc/79/36/59/806793659.db2.gz DMPHBLUSARNWEY-OLZOCXBDSA-N 1 2 299.396 0.167 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)ccc1C#N ZINC001141931841 800048078 /nfs/dbraw/zinc/04/80/78/800048078.db2.gz NHXAQVIHQLKANM-AAEUAGOBSA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)ccc1C#N ZINC001141931841 800048084 /nfs/dbraw/zinc/04/80/84/800048084.db2.gz NHXAQVIHQLKANM-AAEUAGOBSA-N 1 2 293.392 0.850 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142218410 800100303 /nfs/dbraw/zinc/10/03/03/800100303.db2.gz AUMWOUCJFQDHFD-LBPRGKRZSA-N 1 2 290.392 0.430 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001142218410 800100304 /nfs/dbraw/zinc/10/03/04/800100304.db2.gz AUMWOUCJFQDHFD-LBPRGKRZSA-N 1 2 290.392 0.430 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001149681155 800289972 /nfs/dbraw/zinc/28/99/72/800289972.db2.gz IESKLXZBLVCACC-ZDUSSCGKSA-N 1 2 270.348 0.822 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001149681155 800289978 /nfs/dbraw/zinc/28/99/78/800289978.db2.gz IESKLXZBLVCACC-ZDUSSCGKSA-N 1 2 270.348 0.822 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149797487 800299780 /nfs/dbraw/zinc/29/97/80/800299780.db2.gz XUVVSTCBLWXYKO-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149797487 800299783 /nfs/dbraw/zinc/29/97/83/800299783.db2.gz XUVVSTCBLWXYKO-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150246660 800326498 /nfs/dbraw/zinc/32/64/98/800326498.db2.gz GUPXWTKVCPCRAG-IUODEOHRSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150246660 800326501 /nfs/dbraw/zinc/32/65/01/800326501.db2.gz GUPXWTKVCPCRAG-IUODEOHRSA-N 1 2 297.399 0.281 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001152353364 800512109 /nfs/dbraw/zinc/51/21/09/800512109.db2.gz XTTVCTXFQKTONW-LLVKDONJSA-N 1 2 295.387 0.401 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001152353364 800512112 /nfs/dbraw/zinc/51/21/12/800512112.db2.gz XTTVCTXFQKTONW-LLVKDONJSA-N 1 2 295.387 0.401 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001153091574 800596202 /nfs/dbraw/zinc/59/62/02/800596202.db2.gz UKKJQYJGJAVLRY-LLVKDONJSA-N 1 2 296.371 0.992 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc3c(C#N)c[nH]c3n2)C1 ZINC001155197975 800928786 /nfs/dbraw/zinc/92/87/86/800928786.db2.gz SUKPNUJMDLWOOD-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc3c(C#N)c[nH]c3n2)C1 ZINC001155197975 800928792 /nfs/dbraw/zinc/92/87/92/800928792.db2.gz SUKPNUJMDLWOOD-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO N#Cc1nccnc1NCC1([NH+]2CCCC2)COC1 ZINC001157649973 801445677 /nfs/dbraw/zinc/44/56/77/801445677.db2.gz GTOCARRHXOMFFU-UHFFFAOYSA-N 1 2 259.313 0.625 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCOC)C1 ZINC001206662897 801497129 /nfs/dbraw/zinc/49/71/29/801497129.db2.gz VQUGLFQERMECQK-ZYHUDNBSSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCOC)C1 ZINC001206662897 801497132 /nfs/dbraw/zinc/49/71/32/801497132.db2.gz VQUGLFQERMECQK-ZYHUDNBSSA-N 1 2 290.791 0.838 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)cc2/C=N/O)C[NH2+]1 ZINC001158254681 801605233 /nfs/dbraw/zinc/60/52/33/801605233.db2.gz HXTQDTLINMEVMS-QXTNZQMKSA-N 1 2 278.312 0.514 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N[C@@H](CO)C(N)=O)c2c1 ZINC001158445182 801652839 /nfs/dbraw/zinc/65/28/39/801652839.db2.gz YJRPFKOWSRGQKQ-NSHDSACASA-N 1 2 256.265 0.365 20 30 CCEDLO C#CCOCCOCCNc1cc(N(C)C)nc[nH+]1 ZINC001160668840 801993951 /nfs/dbraw/zinc/99/39/51/801993951.db2.gz FBMLQVNUSHPSSE-UHFFFAOYSA-N 1 2 264.329 0.621 20 30 CCEDLO C#CCOCCOCCNc1cc(N(C)C)[nH+]cn1 ZINC001160668840 801993953 /nfs/dbraw/zinc/99/39/53/801993953.db2.gz FBMLQVNUSHPSSE-UHFFFAOYSA-N 1 2 264.329 0.621 20 30 CCEDLO C=C[C@H](COC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC001255030935 808309516 /nfs/dbraw/zinc/30/95/16/808309516.db2.gz AKCOBKKOYFSCKS-GFCCVEGCSA-N 1 2 271.361 0.161 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001278843361 808320118 /nfs/dbraw/zinc/32/01/18/808320118.db2.gz AEHZTLHEMGLZTF-ZDUSSCGKSA-N 1 2 282.384 0.378 20 30 CCEDLO CC[C@@H](CC#N)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001255164782 808325425 /nfs/dbraw/zinc/32/54/25/808325425.db2.gz NMZCIUFPHFBNSW-WDEREUQCSA-N 1 2 250.302 0.791 20 30 CCEDLO C#C[C@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001163161486 802498777 /nfs/dbraw/zinc/49/87/77/802498777.db2.gz KUHNRICGVXPECS-UWVGGRQHSA-N 1 2 259.313 0.364 20 30 CCEDLO C#C[C@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001163161486 802498779 /nfs/dbraw/zinc/49/87/79/802498779.db2.gz KUHNRICGVXPECS-UWVGGRQHSA-N 1 2 259.313 0.364 20 30 CCEDLO C#CC[N@@H+](CC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001262006308 809150558 /nfs/dbraw/zinc/15/05/58/809150558.db2.gz KLCQKGJPBDXYCX-GFCCVEGCSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001262006308 809150561 /nfs/dbraw/zinc/15/05/61/809150561.db2.gz KLCQKGJPBDXYCX-GFCCVEGCSA-N 1 2 271.382 0.678 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001264370826 809645283 /nfs/dbraw/zinc/64/52/83/809645283.db2.gz KXUMUPXTZQLTCV-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001264370826 809645285 /nfs/dbraw/zinc/64/52/85/809645285.db2.gz KXUMUPXTZQLTCV-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO COCc1noc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001264971190 809682390 /nfs/dbraw/zinc/68/23/90/809682390.db2.gz LMVCWDHEDVYOMA-JTQLQIEISA-N 1 2 295.343 0.314 20 30 CCEDLO COCc1noc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001264971190 809682394 /nfs/dbraw/zinc/68/23/94/809682394.db2.gz LMVCWDHEDVYOMA-JTQLQIEISA-N 1 2 295.343 0.314 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265280786 809745560 /nfs/dbraw/zinc/74/55/60/809745560.db2.gz FYVPTCPFLWSGAN-KGTBHZDVSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265280786 809745561 /nfs/dbraw/zinc/74/55/61/809745561.db2.gz FYVPTCPFLWSGAN-KGTBHZDVSA-N 1 2 278.356 0.173 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(OC)cc2C#N)C[NH2+]1 ZINC001164302560 802714526 /nfs/dbraw/zinc/71/45/26/802714526.db2.gz XSOAFUFBXDAZAW-ONGXEEELSA-N 1 2 276.296 0.277 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](O)C1 ZINC001083432583 814934746 /nfs/dbraw/zinc/93/47/46/814934746.db2.gz VQSGNEUOLIAVGT-NEPJUHHUSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](O)C1 ZINC001083432583 814934752 /nfs/dbraw/zinc/93/47/52/814934752.db2.gz VQSGNEUOLIAVGT-NEPJUHHUSA-N 1 2 279.365 0.250 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001268195443 812356342 /nfs/dbraw/zinc/35/63/42/812356342.db2.gz VDFUHHXCAZEONY-AWEZNQCLSA-N 1 2 289.379 0.259 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001268195443 812356351 /nfs/dbraw/zinc/35/63/51/812356351.db2.gz VDFUHHXCAZEONY-AWEZNQCLSA-N 1 2 289.379 0.259 20 30 CCEDLO N#CCNC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001268282124 812443894 /nfs/dbraw/zinc/44/38/94/812443894.db2.gz DYTDTDADFZFEMJ-STQMWFEESA-N 1 2 275.356 0.671 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276432317 803056735 /nfs/dbraw/zinc/05/67/35/803056735.db2.gz LPIBNVGYLXIGDN-QMTHXVAHSA-N 1 2 267.373 0.511 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ncncn3)CC2)cc1C#N ZINC001207109984 803354196 /nfs/dbraw/zinc/35/41/96/803354196.db2.gz ASOSUHOPZCVJSU-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001207510999 803414462 /nfs/dbraw/zinc/41/44/62/803414462.db2.gz YHIVRVFLHKDUDS-VXGBXAGGSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCC1 ZINC001207510999 803414465 /nfs/dbraw/zinc/41/44/65/803414465.db2.gz YHIVRVFLHKDUDS-VXGBXAGGSA-N 1 2 277.368 0.102 20 30 CCEDLO CN(CCNc1ncccc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001101672023 814942591 /nfs/dbraw/zinc/94/25/91/814942591.db2.gz RTGQZUOUUVFRER-UHFFFAOYSA-N 1 2 284.323 0.720 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001211999188 814971999 /nfs/dbraw/zinc/97/19/99/814971999.db2.gz BAKRFMQUBKNLCO-CHWSQXEVSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001211999188 814972000 /nfs/dbraw/zinc/97/20/00/814972000.db2.gz BAKRFMQUBKNLCO-CHWSQXEVSA-N 1 2 297.399 0.293 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219226301 804240788 /nfs/dbraw/zinc/24/07/88/804240788.db2.gz GGXOYIXROWFEIR-KGLIPLIRSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219226301 804240798 /nfs/dbraw/zinc/24/07/98/804240798.db2.gz GGXOYIXROWFEIR-KGLIPLIRSA-N 1 2 282.384 0.234 20 30 CCEDLO N#Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(C#N)c1 ZINC001219392874 804296231 /nfs/dbraw/zinc/29/62/31/804296231.db2.gz FFBAPYKDEYIKCX-LBPRGKRZSA-N 1 2 256.265 0.357 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CC2)[C@H](OC)C1 ZINC001212081680 815007398 /nfs/dbraw/zinc/00/73/98/815007398.db2.gz RNUJFVNZBGOMAK-NWANDNLSSA-N 1 2 294.395 0.498 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CC2)[C@H](OC)C1 ZINC001212081680 815007404 /nfs/dbraw/zinc/00/74/04/815007404.db2.gz RNUJFVNZBGOMAK-NWANDNLSSA-N 1 2 294.395 0.498 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219539284 804341608 /nfs/dbraw/zinc/34/16/08/804341608.db2.gz DNVPIFBGAQJUTG-OLZOCXBDSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219539284 804341619 /nfs/dbraw/zinc/34/16/19/804341619.db2.gz DNVPIFBGAQJUTG-OLZOCXBDSA-N 1 2 291.351 0.448 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219562144 804350772 /nfs/dbraw/zinc/35/07/72/804350772.db2.gz JDNZUVUVROODPM-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219562144 804350781 /nfs/dbraw/zinc/35/07/81/804350781.db2.gz JDNZUVUVROODPM-ZNMIVQPWSA-N 1 2 296.411 0.624 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219594768 804365164 /nfs/dbraw/zinc/36/51/64/804365164.db2.gz WMJBIULUGNRCCH-RCTLPOQTSA-N 1 2 268.744 0.314 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219594768 804365173 /nfs/dbraw/zinc/36/51/73/804365173.db2.gz WMJBIULUGNRCCH-RCTLPOQTSA-N 1 2 268.744 0.314 20 30 CCEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219693876 804406453 /nfs/dbraw/zinc/40/64/53/804406453.db2.gz XYMVHHDUISBTPB-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219693876 804406456 /nfs/dbraw/zinc/40/64/56/804406456.db2.gz XYMVHHDUISBTPB-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC001220092686 804497432 /nfs/dbraw/zinc/49/74/32/804497432.db2.gz ZKINTJKZSCOGFU-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC001220092686 804497438 /nfs/dbraw/zinc/49/74/38/804497438.db2.gz ZKINTJKZSCOGFU-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220239632 804545311 /nfs/dbraw/zinc/54/53/11/804545311.db2.gz NBYTZYVZCKKCQC-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220239632 804545313 /nfs/dbraw/zinc/54/53/13/804545313.db2.gz NBYTZYVZCKKCQC-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C#C[C@](C)(N)C(=O)NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001220909256 804698256 /nfs/dbraw/zinc/69/82/56/804698256.db2.gz PWYFQSGKHRWPSE-INIZCTEOSA-N 1 2 293.411 0.533 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001221473416 804820289 /nfs/dbraw/zinc/82/02/89/804820289.db2.gz AGLUZJIDQURCSC-SNBRUFEUSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001221473416 804820295 /nfs/dbraw/zinc/82/02/95/804820295.db2.gz AGLUZJIDQURCSC-SNBRUFEUSA-N 1 2 291.395 0.788 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001276836390 804932506 /nfs/dbraw/zinc/93/25/06/804932506.db2.gz WPZVJKJYWVDJKC-UKRRQHHQSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001276836390 804932512 /nfs/dbraw/zinc/93/25/12/804932512.db2.gz WPZVJKJYWVDJKC-UKRRQHHQSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276854613 804942734 /nfs/dbraw/zinc/94/27/34/804942734.db2.gz ZZDSFEFBGIDJQR-UKRRQHHQSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001276854613 804942737 /nfs/dbraw/zinc/94/27/37/804942737.db2.gz ZZDSFEFBGIDJQR-UKRRQHHQSA-N 1 2 287.363 0.810 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3CCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229327586 805521751 /nfs/dbraw/zinc/52/17/51/805521751.db2.gz ZRLQFRNEIBPZSC-ROHLRWBXSA-N 1 2 261.325 0.890 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3CCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229327586 805521757 /nfs/dbraw/zinc/52/17/57/805521757.db2.gz ZRLQFRNEIBPZSC-ROHLRWBXSA-N 1 2 261.325 0.890 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(F)F)[C@@H]1C ZINC001278494641 807497660 /nfs/dbraw/zinc/49/76/60/807497660.db2.gz QFBAJSZMXILZNI-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(F)F)[C@@H]1C ZINC001278494641 807497664 /nfs/dbraw/zinc/49/76/64/807497664.db2.gz QFBAJSZMXILZNI-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278499342 807506632 /nfs/dbraw/zinc/50/66/32/807506632.db2.gz DQLUUSCMYNGECZ-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278499342 807506640 /nfs/dbraw/zinc/50/66/40/807506640.db2.gz DQLUUSCMYNGECZ-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC001249483280 807558734 /nfs/dbraw/zinc/55/87/34/807558734.db2.gz GXAMBNFTQOLILW-UHFFFAOYSA-N 1 2 261.373 0.784 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nncs1 ZINC001126815388 815131168 /nfs/dbraw/zinc/13/11/68/815131168.db2.gz BTTNLSVXQWAZFS-UHFFFAOYSA-N 1 2 252.343 0.403 20 30 CCEDLO Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251021829 807643720 /nfs/dbraw/zinc/64/37/20/807643720.db2.gz ADDRKEPIKBVUTE-CQSZACIVSA-N 1 2 275.352 0.972 20 30 CCEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccc1O ZINC001251028464 807648187 /nfs/dbraw/zinc/64/81/87/807648187.db2.gz FYMNLCTXUXHWLL-ZDUSSCGKSA-N 1 2 277.324 0.369 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC(C)(C)O ZINC001252350024 807810371 /nfs/dbraw/zinc/81/03/71/807810371.db2.gz IZCGVQBMZRUKNB-LBPRGKRZSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC(C)(C)O ZINC001252350024 807810380 /nfs/dbraw/zinc/81/03/80/807810380.db2.gz IZCGVQBMZRUKNB-LBPRGKRZSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001252469042 807879803 /nfs/dbraw/zinc/87/98/03/807879803.db2.gz UPWNPCMPVDIWPV-GFCCVEGCSA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001252469042 807879810 /nfs/dbraw/zinc/87/98/10/807879810.db2.gz UPWNPCMPVDIWPV-GFCCVEGCSA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCC[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252591966 807915468 /nfs/dbraw/zinc/91/54/68/807915468.db2.gz HRYDDMFKOAMWLM-OAHLLOKOSA-N 1 2 294.399 0.954 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571826 808081947 /nfs/dbraw/zinc/08/19/47/808081947.db2.gz JYRSBZUPDQOWPO-NWDGAFQWSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571826 808081953 /nfs/dbraw/zinc/08/19/53/808081953.db2.gz JYRSBZUPDQOWPO-NWDGAFQWSA-N 1 2 286.372 0.759 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)C=C ZINC001253576246 808083190 /nfs/dbraw/zinc/08/31/90/808083190.db2.gz LAVHTRCHEUMEAR-WCQYABFASA-N 1 2 278.356 0.464 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)C=C ZINC001253576246 808083195 /nfs/dbraw/zinc/08/31/95/808083195.db2.gz LAVHTRCHEUMEAR-WCQYABFASA-N 1 2 278.356 0.464 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001253576215 808083390 /nfs/dbraw/zinc/08/33/90/808083390.db2.gz KWEWSELNSMQVLO-OCCSQVGLSA-N 1 2 292.383 0.781 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001253576215 808083398 /nfs/dbraw/zinc/08/33/98/808083398.db2.gz KWEWSELNSMQVLO-OCCSQVGLSA-N 1 2 292.383 0.781 20 30 CCEDLO N#C[C@H]1CC[C@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001254669589 808271912 /nfs/dbraw/zinc/27/19/12/808271912.db2.gz TVKOLTKWNNCLML-HOTGVXAUSA-N 1 2 292.427 0.628 20 30 CCEDLO CN(C)c1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126893283 815197090 /nfs/dbraw/zinc/19/70/90/815197090.db2.gz KBELHSCFBNYJLK-UHFFFAOYSA-N 1 2 293.371 0.391 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001278888553 808429278 /nfs/dbraw/zinc/42/92/78/808429278.db2.gz UCEWTTYJBNBNQW-NEPJUHHUSA-N 1 2 268.357 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001278888558 808429500 /nfs/dbraw/zinc/42/95/00/808429500.db2.gz UCEWTTYJBNBNQW-RYUDHWBXSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001278900340 808445155 /nfs/dbraw/zinc/44/51/55/808445155.db2.gz RALBSJKKHXKVQN-UHFFFAOYSA-N 1 2 299.374 0.299 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001083525699 815211755 /nfs/dbraw/zinc/21/17/55/815211755.db2.gz HSMDMZXOLSHSQF-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001083525699 815211758 /nfs/dbraw/zinc/21/17/58/815211758.db2.gz HSMDMZXOLSHSQF-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)n1 ZINC001261436007 808976738 /nfs/dbraw/zinc/97/67/38/808976738.db2.gz MUFWRRFFWMVPMU-GXSJLCMTSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC001261436007 808976743 /nfs/dbraw/zinc/97/67/43/808976743.db2.gz MUFWRRFFWMVPMU-GXSJLCMTSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC001261436007 808976747 /nfs/dbraw/zinc/97/67/47/808976747.db2.gz MUFWRRFFWMVPMU-GXSJLCMTSA-N 1 2 267.333 0.235 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN([C@@]2(C(=O)OC)CCOC2)CC1 ZINC001261801064 809092407 /nfs/dbraw/zinc/09/24/07/809092407.db2.gz CSVSPEQAHNHCPM-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077133 809185476 /nfs/dbraw/zinc/18/54/76/809185476.db2.gz TWEWRTNZKDHAJD-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077133 809185481 /nfs/dbraw/zinc/18/54/81/809185481.db2.gz TWEWRTNZKDHAJD-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C#CC[NH2+]CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001263117923 809451930 /nfs/dbraw/zinc/45/19/30/809451930.db2.gz OPZPRPBBODXPIR-UHFFFAOYSA-N 1 2 283.335 0.353 20 30 CCEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076431437 815296719 /nfs/dbraw/zinc/29/67/19/815296719.db2.gz FYPDHOXIWJOIHD-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263748977 809561694 /nfs/dbraw/zinc/56/16/94/809561694.db2.gz MZOYFYWVLXSEMX-LBPRGKRZSA-N 1 2 281.356 0.098 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263748977 809561697 /nfs/dbraw/zinc/56/16/97/809561697.db2.gz MZOYFYWVLXSEMX-LBPRGKRZSA-N 1 2 281.356 0.098 20 30 CCEDLO C=CC[NH+]1CCC(N(C)C(=O)CS(=O)(=O)CC)CC1 ZINC001265200470 809722552 /nfs/dbraw/zinc/72/25/52/809722552.db2.gz RXUQFGHOVMWYRM-UHFFFAOYSA-N 1 2 288.413 0.530 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001265259761 809734605 /nfs/dbraw/zinc/73/46/05/809734605.db2.gz KTJAJUUQZIPSLX-OAGGEKHMSA-N 1 2 289.423 0.790 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001265263953 809734909 /nfs/dbraw/zinc/73/49/09/809734909.db2.gz CVINLMZAFWMUGV-GJZGRUSLSA-N 1 2 293.411 0.169 20 30 CCEDLO C[C@@H](CC(=O)N[C@H]1CCN(CC#N)C1)n1cc[nH+]c1 ZINC001265305885 809753386 /nfs/dbraw/zinc/75/33/86/809753386.db2.gz GBJRPQLDLITFNB-RYUDHWBXSA-N 1 2 261.329 0.548 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001265774193 809849386 /nfs/dbraw/zinc/84/93/86/809849386.db2.gz BIIAWAUXAHIBBV-JTQLQIEISA-N 1 2 280.328 0.012 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001265834680 809868904 /nfs/dbraw/zinc/86/89/04/809868904.db2.gz WZPWJKZFKQTBAL-AWEZNQCLSA-N 1 2 296.371 0.643 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001265834680 809868907 /nfs/dbraw/zinc/86/89/07/809868907.db2.gz WZPWJKZFKQTBAL-AWEZNQCLSA-N 1 2 296.371 0.643 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)NCC#N)c[nH+]1 ZINC001266154781 809951440 /nfs/dbraw/zinc/95/14/40/809951440.db2.gz FXNLOINOUHCWQD-LLVKDONJSA-N 1 2 277.372 0.935 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001266210039 809964336 /nfs/dbraw/zinc/96/43/36/809964336.db2.gz USISDFHLSOQYPD-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001266210039 809964342 /nfs/dbraw/zinc/96/43/42/809964342.db2.gz USISDFHLSOQYPD-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266240473 809970333 /nfs/dbraw/zinc/97/03/33/809970333.db2.gz WBGNLRVJHDSNEF-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266240473 809970337 /nfs/dbraw/zinc/97/03/37/809970337.db2.gz WBGNLRVJHDSNEF-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001266240473 809970340 /nfs/dbraw/zinc/97/03/40/809970340.db2.gz WBGNLRVJHDSNEF-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001266240473 809970342 /nfs/dbraw/zinc/97/03/42/809970342.db2.gz WBGNLRVJHDSNEF-ZDUSSCGKSA-N 1 2 275.356 0.341 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001280469590 810023860 /nfs/dbraw/zinc/02/38/60/810023860.db2.gz FGABCKZPPWRECG-CYBMUJFWSA-N 1 2 290.367 0.506 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001076689478 815347934 /nfs/dbraw/zinc/34/79/34/815347934.db2.gz KDLOQLYXMYYSLH-CHWSQXEVSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001076689478 815347939 /nfs/dbraw/zinc/34/79/39/815347939.db2.gz KDLOQLYXMYYSLH-CHWSQXEVSA-N 1 2 250.342 0.361 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001076985119 815427150 /nfs/dbraw/zinc/42/71/50/815427150.db2.gz UJSRBCMEBGQDNV-VXGBXAGGSA-N 1 2 293.367 0.896 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001076985119 815427153 /nfs/dbraw/zinc/42/71/53/815427153.db2.gz UJSRBCMEBGQDNV-VXGBXAGGSA-N 1 2 293.367 0.896 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001267366848 811222723 /nfs/dbraw/zinc/22/27/23/811222723.db2.gz LIWQMZDELIXLLF-LBPRGKRZSA-N 1 2 284.385 0.413 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)n(C)n1 ZINC001038508626 815435719 /nfs/dbraw/zinc/43/57/19/815435719.db2.gz XPCPHYLYWRAQTO-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)n(C)n1 ZINC001038508626 815435722 /nfs/dbraw/zinc/43/57/22/815435722.db2.gz XPCPHYLYWRAQTO-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO C#CC[NH2+][C@@H](CNC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC001267523607 811403525 /nfs/dbraw/zinc/40/35/25/811403525.db2.gz VPFXDDOSARTLTE-ZDUSSCGKSA-N 1 2 298.346 0.820 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001267572886 811464314 /nfs/dbraw/zinc/46/43/14/811464314.db2.gz AIMMIVJPCDNYCL-NVXWUHKLSA-N 1 2 289.423 0.886 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCC=C)CC1 ZINC001267605768 811542631 /nfs/dbraw/zinc/54/26/31/811542631.db2.gz AYRHDBOFDNBTGK-UHFFFAOYSA-N 1 2 263.385 0.662 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C=C(C)C)C1 ZINC001267621544 811579151 /nfs/dbraw/zinc/57/91/51/811579151.db2.gz SOJUBASXLGXZMN-ZDUSSCGKSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C=C(C)C)C1 ZINC001267621544 811579157 /nfs/dbraw/zinc/57/91/57/811579157.db2.gz SOJUBASXLGXZMN-ZDUSSCGKSA-N 1 2 277.368 0.283 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267628201 811586531 /nfs/dbraw/zinc/58/65/31/811586531.db2.gz PENXCVOERXXJHK-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267628201 811586535 /nfs/dbraw/zinc/58/65/35/811586535.db2.gz PENXCVOERXXJHK-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001267640029 811602228 /nfs/dbraw/zinc/60/22/28/811602228.db2.gz ZAFVYNYWPKNVIV-GFCCVEGCSA-N 1 2 292.383 0.702 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267661228 811628960 /nfs/dbraw/zinc/62/89/60/811628960.db2.gz CCDTYUQKGVKTLH-AWEZNQCLSA-N 1 2 297.399 0.294 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NCC1CN(CC#N)C1 ZINC001267686334 811650042 /nfs/dbraw/zinc/65/00/42/811650042.db2.gz PRAYHUUSJLSUGO-UHFFFAOYSA-N 1 2 274.324 0.204 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001077243901 815467835 /nfs/dbraw/zinc/46/78/35/815467835.db2.gz KZWGXLIYZZQDPM-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001077243901 815467838 /nfs/dbraw/zinc/46/78/38/815467838.db2.gz KZWGXLIYZZQDPM-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001077297007 815473760 /nfs/dbraw/zinc/47/37/60/815473760.db2.gz OXFJNEVBWIXSCP-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001077297007 815473764 /nfs/dbraw/zinc/47/37/64/815473764.db2.gz OXFJNEVBWIXSCP-ZIAGYGMSSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CC3)C2)nn1 ZINC001105325652 811918651 /nfs/dbraw/zinc/91/86/51/811918651.db2.gz VRCPIOTYSJFBNM-UHFFFAOYSA-N 1 2 291.330 0.134 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077407411 815495803 /nfs/dbraw/zinc/49/58/03/815495803.db2.gz UDTRQKUIAKKBHH-CHWSQXEVSA-N 1 2 299.330 0.626 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077407411 815495808 /nfs/dbraw/zinc/49/58/08/815495808.db2.gz UDTRQKUIAKKBHH-CHWSQXEVSA-N 1 2 299.330 0.626 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](O)C1 ZINC001083310444 812062143 /nfs/dbraw/zinc/06/21/43/812062143.db2.gz UABCDXJVSIHWKM-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](O)C1 ZINC001083310444 812062154 /nfs/dbraw/zinc/06/21/54/812062154.db2.gz UABCDXJVSIHWKM-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001083585015 815504558 /nfs/dbraw/zinc/50/45/58/815504558.db2.gz ACRDTGYDEFZFQK-MNOVXSKESA-N 1 2 254.305 0.063 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001083585015 815504563 /nfs/dbraw/zinc/50/45/63/815504563.db2.gz ACRDTGYDEFZFQK-MNOVXSKESA-N 1 2 254.305 0.063 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976563 812186731 /nfs/dbraw/zinc/18/67/31/812186731.db2.gz CZRIVTGWXBVLSG-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001058919505 812385176 /nfs/dbraw/zinc/38/51/76/812385176.db2.gz SLWMWHUHJDEIBV-NSHDSACASA-N 1 2 297.322 0.258 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126334865 812387234 /nfs/dbraw/zinc/38/72/34/812387234.db2.gz RUZZLXROTIBJOC-UHFFFAOYSA-N 1 2 252.343 0.547 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001268237772 812401582 /nfs/dbraw/zinc/40/15/82/812401582.db2.gz PAXMJVVKVMEJJZ-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001268237772 812401586 /nfs/dbraw/zinc/40/15/86/812401586.db2.gz PAXMJVVKVMEJJZ-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001268278809 812442532 /nfs/dbraw/zinc/44/25/32/812442532.db2.gz BCMNVRBIIDBLTQ-ZFWWWQNUSA-N 1 2 282.384 0.683 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOC(C)C)C2)nc1 ZINC001268474925 812632855 /nfs/dbraw/zinc/63/28/55/812632855.db2.gz QYVAFUWSJBWIAJ-UHFFFAOYSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001028536042 812826007 /nfs/dbraw/zinc/82/60/07/812826007.db2.gz KPJPFTOOGOONFI-OLZOCXBDSA-N 1 2 286.379 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001028536042 812826016 /nfs/dbraw/zinc/82/60/16/812826016.db2.gz KPJPFTOOGOONFI-OLZOCXBDSA-N 1 2 286.379 0.901 20 30 CCEDLO CC#CCCCC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001268581143 812865979 /nfs/dbraw/zinc/86/59/79/812865979.db2.gz VKOZEGJBANTYRA-FPLPWBNLSA-N 1 2 290.371 0.166 20 30 CCEDLO Cc1nc(N(C)CCN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001105371863 812881614 /nfs/dbraw/zinc/88/16/14/812881614.db2.gz IYYMVIQAGQPORD-JTQLQIEISA-N 1 2 261.329 0.839 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001268701468 813020209 /nfs/dbraw/zinc/02/02/09/813020209.db2.gz TVRGJSREUJKRCT-JSGCOSHPSA-N 1 2 294.399 0.248 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001268701468 813020213 /nfs/dbraw/zinc/02/02/13/813020213.db2.gz TVRGJSREUJKRCT-JSGCOSHPSA-N 1 2 294.399 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@@H](O)C1 ZINC001083633032 815575607 /nfs/dbraw/zinc/57/56/07/815575607.db2.gz CGUHQBYZRUQIJO-LPWJVIDDSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@@H](O)C1 ZINC001083633032 815575612 /nfs/dbraw/zinc/57/56/12/815575612.db2.gz CGUHQBYZRUQIJO-LPWJVIDDSA-N 1 2 264.369 0.463 20 30 CCEDLO CCC#CC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001268951385 813156213 /nfs/dbraw/zinc/15/62/13/813156213.db2.gz NZLKXTMNQFJNLG-UONOGXRCSA-N 1 2 280.368 0.553 20 30 CCEDLO CCC#CC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001268951385 813156217 /nfs/dbraw/zinc/15/62/17/813156217.db2.gz NZLKXTMNQFJNLG-UONOGXRCSA-N 1 2 280.368 0.553 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1ncc(C)o1 ZINC001268955825 813158349 /nfs/dbraw/zinc/15/83/49/813158349.db2.gz OYVGUVFCOCLVKO-STQMWFEESA-N 1 2 289.335 0.418 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1ncc(C)o1 ZINC001268955825 813158355 /nfs/dbraw/zinc/15/83/55/813158355.db2.gz OYVGUVFCOCLVKO-STQMWFEESA-N 1 2 289.335 0.418 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001038052599 815594227 /nfs/dbraw/zinc/59/42/27/815594227.db2.gz LEASZAQFJIMFLY-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001038052599 815594235 /nfs/dbraw/zinc/59/42/35/815594235.db2.gz LEASZAQFJIMFLY-SNVBAGLBSA-N 1 2 264.354 0.674 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001269065455 813200302 /nfs/dbraw/zinc/20/03/02/813200302.db2.gz PAWRTUKBOBQLCY-LBPRGKRZSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001269065455 813200308 /nfs/dbraw/zinc/20/03/08/813200308.db2.gz PAWRTUKBOBQLCY-LBPRGKRZSA-N 1 2 290.367 0.007 20 30 CCEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1[nH]nc2cc(C#N)ccc21 ZINC001269144020 813236973 /nfs/dbraw/zinc/23/69/73/813236973.db2.gz IMUHJLSOBIDSLB-PHIMTYICSA-N 1 2 281.319 0.963 20 30 CCEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1[nH]nc2cc(C#N)ccc21 ZINC001269144020 813236976 /nfs/dbraw/zinc/23/69/76/813236976.db2.gz IMUHJLSOBIDSLB-PHIMTYICSA-N 1 2 281.319 0.963 20 30 CCEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1n[nH]c2cc(C#N)ccc21 ZINC001269144020 813236979 /nfs/dbraw/zinc/23/69/79/813236979.db2.gz IMUHJLSOBIDSLB-PHIMTYICSA-N 1 2 281.319 0.963 20 30 CCEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1n[nH]c2cc(C#N)ccc21 ZINC001269144020 813236984 /nfs/dbraw/zinc/23/69/84/813236984.db2.gz IMUHJLSOBIDSLB-PHIMTYICSA-N 1 2 281.319 0.963 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCCOCC)C1 ZINC001269199235 813259878 /nfs/dbraw/zinc/25/98/78/813259878.db2.gz JRIPIBLCXROWSD-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCCOCC)C1 ZINC001269199235 813259886 /nfs/dbraw/zinc/25/98/86/813259886.db2.gz JRIPIBLCXROWSD-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001269326197 813326608 /nfs/dbraw/zinc/32/66/08/813326608.db2.gz HFLFDBONRGXJSN-JSGCOSHPSA-N 1 2 274.368 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001269326197 813326615 /nfs/dbraw/zinc/32/66/15/813326615.db2.gz HFLFDBONRGXJSN-JSGCOSHPSA-N 1 2 274.368 0.422 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001269342609 813334096 /nfs/dbraw/zinc/33/40/96/813334096.db2.gz AMGKSXSNOWLEJG-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001269342609 813334101 /nfs/dbraw/zinc/33/41/01/813334101.db2.gz AMGKSXSNOWLEJG-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(CC)CCNC2=O)C1 ZINC001269805798 813513741 /nfs/dbraw/zinc/51/37/41/813513741.db2.gz PAIPVCUQNZRQSU-OAHLLOKOSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001269856044 813532658 /nfs/dbraw/zinc/53/26/58/813532658.db2.gz RSROJLITXJOKPD-CYBMUJFWSA-N 1 2 284.400 0.739 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(C)(C)F)C1 ZINC001270528646 813799143 /nfs/dbraw/zinc/79/91/43/813799143.db2.gz GFVVKYKPILACNA-CQSZACIVSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(C)(C)F)C1 ZINC001270528646 813799152 /nfs/dbraw/zinc/79/91/52/813799152.db2.gz GFVVKYKPILACNA-CQSZACIVSA-N 1 2 285.363 0.617 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001270682191 813893827 /nfs/dbraw/zinc/89/38/27/813893827.db2.gz JPYHLBPGDOIEEA-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001270682191 813893838 /nfs/dbraw/zinc/89/38/38/813893838.db2.gz JPYHLBPGDOIEEA-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001270716383 813902791 /nfs/dbraw/zinc/90/27/91/813902791.db2.gz DVAVWHKSMVIAOS-OKILXGFUSA-N 1 2 285.347 0.986 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001270716383 813902795 /nfs/dbraw/zinc/90/27/95/813902795.db2.gz DVAVWHKSMVIAOS-OKILXGFUSA-N 1 2 285.347 0.986 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001127051307 815606223 /nfs/dbraw/zinc/60/62/23/815606223.db2.gz FQXYZMGDRGRQPN-GHMZBOCLSA-N 1 2 294.355 0.437 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029679345 814536493 /nfs/dbraw/zinc/53/64/93/814536493.db2.gz ZQFSYVDPKCIFOO-WDEREUQCSA-N 1 2 293.396 0.978 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029679345 814536495 /nfs/dbraw/zinc/53/64/95/814536495.db2.gz ZQFSYVDPKCIFOO-WDEREUQCSA-N 1 2 293.396 0.978 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001271862489 814613720 /nfs/dbraw/zinc/61/37/20/814613720.db2.gz XXNZGZFYMJFICR-CHWSQXEVSA-N 1 2 289.383 0.699 20 30 CCEDLO C=CC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCCC2)C1 ZINC001271997464 814672381 /nfs/dbraw/zinc/67/23/81/814672381.db2.gz ZRFQURVOSKPFIZ-HNNXBMFYSA-N 1 2 281.400 0.211 20 30 CCEDLO C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CN2CCCC2)C1 ZINC001271997464 814672384 /nfs/dbraw/zinc/67/23/84/814672384.db2.gz ZRFQURVOSKPFIZ-HNNXBMFYSA-N 1 2 281.400 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](O)C1 ZINC001083675206 815650310 /nfs/dbraw/zinc/65/03/10/815650310.db2.gz QZSGLQDVZMCNCB-OLZOCXBDSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](O)C1 ZINC001083675206 815650318 /nfs/dbraw/zinc/65/03/18/815650318.db2.gz QZSGLQDVZMCNCB-OLZOCXBDSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@H](OC)C1 ZINC001212149054 815673511 /nfs/dbraw/zinc/67/35/11/815673511.db2.gz ZLRGIEOCOFTKEG-VXGBXAGGSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@H](OC)C1 ZINC001212149054 815673515 /nfs/dbraw/zinc/67/35/15/815673515.db2.gz ZLRGIEOCOFTKEG-VXGBXAGGSA-N 1 2 268.357 0.250 20 30 CCEDLO Cn1c[nH+]cc1CN1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030223499 815907675 /nfs/dbraw/zinc/90/76/75/815907675.db2.gz YGSAMEVMFHHSQH-UHFFFAOYSA-N 1 2 284.323 0.234 20 30 CCEDLO Cn1cc(CC[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001030234777 815916192 /nfs/dbraw/zinc/91/61/92/815916192.db2.gz GLWWNNPKAIYNJQ-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001030257783 815935055 /nfs/dbraw/zinc/93/50/55/815935055.db2.gz SVUWDRRPCOTOCU-YPMHNXCESA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001030428167 816032954 /nfs/dbraw/zinc/03/29/54/816032954.db2.gz PTFUDAVPCXRTJF-GFCCVEGCSA-N 1 2 286.379 0.958 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001098981353 816045179 /nfs/dbraw/zinc/04/51/79/816045179.db2.gz BGMQDUKWVZEHAL-GHMZBOCLSA-N 1 2 280.372 0.238 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001098981353 816045186 /nfs/dbraw/zinc/04/51/86/816045186.db2.gz BGMQDUKWVZEHAL-GHMZBOCLSA-N 1 2 280.372 0.238 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3ncccc23)C1 ZINC001030451648 816045808 /nfs/dbraw/zinc/04/58/08/816045808.db2.gz QJKGTDGVWXNSQO-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CN2CCCCC2=O)C1 ZINC001030601712 816140148 /nfs/dbraw/zinc/14/01/48/816140148.db2.gz XNURHGHOTWFRRK-UHFFFAOYSA-N 1 2 265.357 0.375 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccn3nccc23)C1 ZINC001030610375 816146889 /nfs/dbraw/zinc/14/68/89/816146889.db2.gz JITFNCGRTXXNJY-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001030615250 816149438 /nfs/dbraw/zinc/14/94/38/816149438.db2.gz CAFVIYBDSXLNML-UHFFFAOYSA-N 1 2 294.786 0.748 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001232674159 816196045 /nfs/dbraw/zinc/19/60/45/816196045.db2.gz SGWJGZQFVQVXSQ-NSHDSACASA-N 1 2 259.309 0.961 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001232674159 816196047 /nfs/dbraw/zinc/19/60/47/816196047.db2.gz SGWJGZQFVQVXSQ-NSHDSACASA-N 1 2 259.309 0.961 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OCC)C1 ZINC001030692171 816225201 /nfs/dbraw/zinc/22/52/01/816225201.db2.gz AXTJLUQEYMNDFM-UKRRQHHQSA-N 1 2 294.395 0.642 20 30 CCEDLO N#CCN1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030933932 816461128 /nfs/dbraw/zinc/46/11/28/816461128.db2.gz XMNWHRJXQSPWJI-JTQLQIEISA-N 1 2 259.313 0.154 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3c2ncn3C)C1 ZINC001030935928 816463601 /nfs/dbraw/zinc/46/36/01/816463601.db2.gz PRBRFXCZEPXRRP-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001030987785 816536073 /nfs/dbraw/zinc/53/60/73/816536073.db2.gz DEWVJWLADHVGSL-UONOGXRCSA-N 1 2 274.368 0.900 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001031077509 816629835 /nfs/dbraw/zinc/62/98/35/816629835.db2.gz XPNBRGHMCBCWLR-STQMWFEESA-N 1 2 268.357 0.150 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031088333 816634537 /nfs/dbraw/zinc/63/45/37/816634537.db2.gz SNENOVKUCMFXJV-WXHSDQCUSA-N 1 2 268.357 0.149 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001031180802 816751068 /nfs/dbraw/zinc/75/10/68/816751068.db2.gz FDPDTVSADCPAAL-UHFFFAOYSA-N 1 2 273.336 0.787 20 30 CCEDLO O=C(Cn1cc[nH+]c1)NC1CN(CC#Cc2ccccc2)C1 ZINC001031476193 817071255 /nfs/dbraw/zinc/07/12/55/817071255.db2.gz AJSFFOFMHCTOAK-UHFFFAOYSA-N 1 2 294.358 0.735 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2ncccc2O)C1 ZINC001031628061 817199879 /nfs/dbraw/zinc/19/98/79/817199879.db2.gz BPABCDAXJAKLNV-UHFFFAOYSA-N 1 2 259.309 0.472 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212344645 817406851 /nfs/dbraw/zinc/40/68/51/817406851.db2.gz GKYUDPHVWZQYBM-JHJVBQTASA-N 1 2 297.399 0.422 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212344645 817406856 /nfs/dbraw/zinc/40/68/56/817406856.db2.gz GKYUDPHVWZQYBM-JHJVBQTASA-N 1 2 297.399 0.422 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001124908470 817631762 /nfs/dbraw/zinc/63/17/62/817631762.db2.gz LKVKFOOOXWXZIQ-SECBINFHSA-N 1 2 279.344 0.733 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC)nn2)C1 ZINC001107111815 817756086 /nfs/dbraw/zinc/75/60/86/817756086.db2.gz UVGMVFLBOQQLAW-UHFFFAOYSA-N 1 2 261.329 0.184 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)F)nn2)C1 ZINC001107118443 817770467 /nfs/dbraw/zinc/77/04/67/817770467.db2.gz UOXMCSNQUBFAAW-UHFFFAOYSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C ZINC001032277477 817776371 /nfs/dbraw/zinc/77/63/71/817776371.db2.gz HCIKWVNBXCWFBY-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C ZINC001032277477 817776376 /nfs/dbraw/zinc/77/63/76/817776376.db2.gz HCIKWVNBXCWFBY-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C3CC3)nn2)C1 ZINC001107153570 817795912 /nfs/dbraw/zinc/79/59/12/817795912.db2.gz ITSJVMCAKNMVTE-LLVKDONJSA-N 1 2 289.383 0.983 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(C)CC3)nn2)C1 ZINC001107176036 817800710 /nfs/dbraw/zinc/80/07/10/817800710.db2.gz ZSYGOQADGPFAEQ-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO N#Cc1nccnc1NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001107312640 817829555 /nfs/dbraw/zinc/82/95/55/817829555.db2.gz RZACBLYMYCURNN-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001107311382 817833454 /nfs/dbraw/zinc/83/34/54/817833454.db2.gz DDXMNLUQPFABLT-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 ZINC001032320867 817860161 /nfs/dbraw/zinc/86/01/61/817860161.db2.gz XVIBOFKMNKCROF-STQMWFEESA-N 1 2 258.325 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 ZINC001032320867 817860172 /nfs/dbraw/zinc/86/01/72/817860172.db2.gz XVIBOFKMNKCROF-STQMWFEESA-N 1 2 258.325 0.435 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107681947 817938903 /nfs/dbraw/zinc/93/89/03/817938903.db2.gz OOCQQXSSELXBKP-HNNXBMFYSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCOCC2)C1 ZINC001107681947 817938907 /nfs/dbraw/zinc/93/89/07/817938907.db2.gz OOCQQXSSELXBKP-HNNXBMFYSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683774 817942246 /nfs/dbraw/zinc/94/22/46/817942246.db2.gz UUGNXLWABHGFCA-AWEZNQCLSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683774 817942248 /nfs/dbraw/zinc/94/22/48/817942248.db2.gz UUGNXLWABHGFCA-AWEZNQCLSA-N 1 2 270.348 0.965 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001077661111 817955691 /nfs/dbraw/zinc/95/56/91/817955691.db2.gz HAUCWMJIWKQOBO-IJLUTSLNSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001077661111 817955695 /nfs/dbraw/zinc/95/56/95/817955695.db2.gz HAUCWMJIWKQOBO-IJLUTSLNSA-N 1 2 278.377 0.646 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107781907 818000267 /nfs/dbraw/zinc/00/02/67/818000267.db2.gz LCTWHAJJBLBWMN-JSGCOSHPSA-N 1 2 268.357 0.252 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107781907 818000280 /nfs/dbraw/zinc/00/02/80/818000280.db2.gz LCTWHAJJBLBWMN-JSGCOSHPSA-N 1 2 268.357 0.252 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COC(C)C)C1 ZINC001107790533 818009345 /nfs/dbraw/zinc/00/93/45/818009345.db2.gz ITBCAAMPZXJTHZ-OAHLLOKOSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COC(C)C)C1 ZINC001107790533 818009353 /nfs/dbraw/zinc/00/93/53/818009353.db2.gz ITBCAAMPZXJTHZ-OAHLLOKOSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107795217 818014734 /nfs/dbraw/zinc/01/47/34/818014734.db2.gz LCVYOPYQGMTEHL-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107795217 818014740 /nfs/dbraw/zinc/01/47/40/818014740.db2.gz LCVYOPYQGMTEHL-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](O)C1 ZINC001083801802 818060850 /nfs/dbraw/zinc/06/08/50/818060850.db2.gz LECZMMRVYBFSKJ-KGLIPLIRSA-N 1 2 288.351 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](O)C1 ZINC001083801802 818060859 /nfs/dbraw/zinc/06/08/59/818060859.db2.gz LECZMMRVYBFSKJ-KGLIPLIRSA-N 1 2 288.351 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1CCOCC1 ZINC001032820571 818067065 /nfs/dbraw/zinc/06/70/65/818067065.db2.gz CPAHWHZBYFMWTO-KKUMJFAQSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1CCOCC1 ZINC001032820571 818067075 /nfs/dbraw/zinc/06/70/75/818067075.db2.gz CPAHWHZBYFMWTO-KKUMJFAQSA-N 1 2 291.395 0.016 20 30 CCEDLO COCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001272954607 818121829 /nfs/dbraw/zinc/12/18/29/818121829.db2.gz JGDKJCRFMRHJEW-OKILXGFUSA-N 1 2 288.351 0.235 20 30 CCEDLO COCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001272954607 818121833 /nfs/dbraw/zinc/12/18/33/818121833.db2.gz JGDKJCRFMRHJEW-OKILXGFUSA-N 1 2 288.351 0.235 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089990737 818214961 /nfs/dbraw/zinc/21/49/61/818214961.db2.gz SIABYMSYMWDPJT-QWRGUYRKSA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089990737 818214967 /nfs/dbraw/zinc/21/49/67/818214967.db2.gz SIABYMSYMWDPJT-QWRGUYRKSA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100884 818515986 /nfs/dbraw/zinc/51/59/86/818515986.db2.gz USHKCBFWPAOJNL-MNOVXSKESA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001090100884 818515994 /nfs/dbraw/zinc/51/59/94/818515994.db2.gz USHKCBFWPAOJNL-MNOVXSKESA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090100922 818516285 /nfs/dbraw/zinc/51/62/85/818516285.db2.gz AGCGVNMNQOYLQB-ZYHUDNBSSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)[C@H](O)C1 ZINC001090100922 818516286 /nfs/dbraw/zinc/51/62/86/818516286.db2.gz AGCGVNMNQOYLQB-ZYHUDNBSSA-N 1 2 298.774 0.636 20 30 CCEDLO N#CCN1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989422 818536572 /nfs/dbraw/zinc/53/65/72/818536572.db2.gz CZCRKFBPYPUSDV-UHFFFAOYSA-N 1 2 273.340 0.545 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC3(C)COC3)C[C@@]2(F)C1=O ZINC001273062195 818544355 /nfs/dbraw/zinc/54/43/55/818544355.db2.gz BBXRDBPACDJCRN-UONOGXRCSA-N 1 2 286.322 0.783 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](CC3(C)COC3)C[C@@]2(F)C1=O ZINC001273062195 818544364 /nfs/dbraw/zinc/54/43/64/818544364.db2.gz BBXRDBPACDJCRN-UONOGXRCSA-N 1 2 286.322 0.783 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090128538 818680608 /nfs/dbraw/zinc/68/06/08/818680608.db2.gz FQIWRVXHNNNQMU-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090128538 818680610 /nfs/dbraw/zinc/68/06/10/818680610.db2.gz FQIWRVXHNNNQMU-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128705444 818861469 /nfs/dbraw/zinc/86/14/69/818861469.db2.gz KSLHYAKAIMBSIW-UPJWGTAASA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128705444 818861473 /nfs/dbraw/zinc/86/14/73/818861473.db2.gz KSLHYAKAIMBSIW-UPJWGTAASA-N 1 2 275.356 0.299 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@@H](n2ccnn2)C1 ZINC001128746926 818946944 /nfs/dbraw/zinc/94/69/44/818946944.db2.gz OTPOURVKBFKTPZ-UTUOFQBUSA-N 1 2 295.412 0.557 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@@H](n2ccnn2)C1 ZINC001128746926 818946948 /nfs/dbraw/zinc/94/69/48/818946948.db2.gz OTPOURVKBFKTPZ-UTUOFQBUSA-N 1 2 295.412 0.557 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090156450 819001487 /nfs/dbraw/zinc/00/14/87/819001487.db2.gz UJYJUUWWRZVIQA-NEPJUHHUSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090156450 819001494 /nfs/dbraw/zinc/00/14/94/819001494.db2.gz UJYJUUWWRZVIQA-NEPJUHHUSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216912 819217290 /nfs/dbraw/zinc/21/72/90/819217290.db2.gz ORIDFEFEXXWEEF-RYUDHWBXSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090216912 819217297 /nfs/dbraw/zinc/21/72/97/819217297.db2.gz ORIDFEFEXXWEEF-RYUDHWBXSA-N 1 2 296.758 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@@H](O)C1 ZINC001083862500 819278402 /nfs/dbraw/zinc/27/84/02/819278402.db2.gz JHIVHRWBSRTBPC-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@@H](O)C1 ZINC001083862500 819278408 /nfs/dbraw/zinc/27/84/08/819278408.db2.gz JHIVHRWBSRTBPC-KGLIPLIRSA-N 1 2 288.347 0.412 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136025 819279527 /nfs/dbraw/zinc/27/95/27/819279527.db2.gz NJQLWVHECYACEN-SWLSCSKDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136025 819279534 /nfs/dbraw/zinc/27/95/34/819279534.db2.gz NJQLWVHECYACEN-SWLSCSKDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001108157074 819329376 /nfs/dbraw/zinc/32/93/76/819329376.db2.gz NJQLWVHECYACEN-IUODEOHRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001108157074 819329383 /nfs/dbraw/zinc/32/93/83/819329383.db2.gz NJQLWVHECYACEN-IUODEOHRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035307280 819459568 /nfs/dbraw/zinc/45/95/68/819459568.db2.gz OGIVXGCADACKDD-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001035307280 819459573 /nfs/dbraw/zinc/45/95/73/819459573.db2.gz OGIVXGCADACKDD-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001035341510 819481698 /nfs/dbraw/zinc/48/16/98/819481698.db2.gz UHGXSDFFLNIQNC-GFCCVEGCSA-N 1 2 262.313 0.093 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncnc2)C1 ZINC001035341510 819481704 /nfs/dbraw/zinc/48/17/04/819481704.db2.gz UHGXSDFFLNIQNC-GFCCVEGCSA-N 1 2 262.313 0.093 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001035358167 819498497 /nfs/dbraw/zinc/49/84/97/819498497.db2.gz OEGNMHOUKLOULC-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001035358167 819498501 /nfs/dbraw/zinc/49/85/01/819498501.db2.gz OEGNMHOUKLOULC-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035406808 819514213 /nfs/dbraw/zinc/51/42/13/819514213.db2.gz DWJHGWDCAIXHOX-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035406808 819514217 /nfs/dbraw/zinc/51/42/17/819514217.db2.gz DWJHGWDCAIXHOX-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001035408680 819515438 /nfs/dbraw/zinc/51/54/38/819515438.db2.gz SMKNJZBHTOTRND-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001035408680 819515441 /nfs/dbraw/zinc/51/54/41/819515441.db2.gz SMKNJZBHTOTRND-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001035558865 819569831 /nfs/dbraw/zinc/56/98/31/819569831.db2.gz ROBHXSZFUCRXIU-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001035558865 819569836 /nfs/dbraw/zinc/56/98/36/819569836.db2.gz ROBHXSZFUCRXIU-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO N#CCCOc1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1 ZINC001168760607 819730670 /nfs/dbraw/zinc/73/06/70/819730670.db2.gz BWSDVNKAWRMPDL-UHFFFAOYSA-N 1 2 259.269 0.724 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278207 820063685 /nfs/dbraw/zinc/06/36/85/820063685.db2.gz BSBGLOLZRULSCS-NEPJUHHUSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278207 820063698 /nfs/dbraw/zinc/06/36/98/820063698.db2.gz BSBGLOLZRULSCS-NEPJUHHUSA-N 1 2 283.759 0.932 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001079457580 820393027 /nfs/dbraw/zinc/39/30/27/820393027.db2.gz CETBECZALKCPHR-RKDXNWHRSA-N 1 2 250.327 0.221 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001079457580 820393038 /nfs/dbraw/zinc/39/30/38/820393038.db2.gz CETBECZALKCPHR-RKDXNWHRSA-N 1 2 250.327 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001079434239 820396308 /nfs/dbraw/zinc/39/63/08/820396308.db2.gz FQCGNCQFFRNHIE-JLLWLGSASA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001079434239 820396316 /nfs/dbraw/zinc/39/63/16/820396316.db2.gz FQCGNCQFFRNHIE-JLLWLGSASA-N 1 2 288.775 0.591 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001079949352 820491463 /nfs/dbraw/zinc/49/14/63/820491463.db2.gz ZBPOEAPOZFQSEM-DGCLKSJQSA-N 1 2 288.351 0.593 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001080314881 820551884 /nfs/dbraw/zinc/55/18/84/820551884.db2.gz YGVFZDXZKDVCGI-YUSALJHKSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001080314881 820551890 /nfs/dbraw/zinc/55/18/90/820551890.db2.gz YGVFZDXZKDVCGI-YUSALJHKSA-N 1 2 299.802 0.796 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001081570622 820790232 /nfs/dbraw/zinc/79/02/32/820790232.db2.gz QPGODDPBXVFUAC-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001081570622 820790238 /nfs/dbraw/zinc/79/02/38/820790238.db2.gz QPGODDPBXVFUAC-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@H](OC)C1 ZINC001081887355 820862516 /nfs/dbraw/zinc/86/25/16/820862516.db2.gz ZZZILXGXFLIPRY-CHWSQXEVSA-N 1 2 276.340 0.034 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@H](OC)C1 ZINC001081887355 820862527 /nfs/dbraw/zinc/86/25/27/820862527.db2.gz ZZZILXGXFLIPRY-CHWSQXEVSA-N 1 2 276.340 0.034 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@H]2OC)c1 ZINC001082118111 820899522 /nfs/dbraw/zinc/89/95/22/820899522.db2.gz HKCBXIPGXOZFLM-HZPDHXFCSA-N 1 2 297.358 0.515 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@H]2OC)c1 ZINC001082118111 820899535 /nfs/dbraw/zinc/89/95/35/820899535.db2.gz HKCBXIPGXOZFLM-HZPDHXFCSA-N 1 2 297.358 0.515 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001082108466 820901553 /nfs/dbraw/zinc/90/15/53/820901553.db2.gz COPLXKKMARUFFB-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001082108466 820901558 /nfs/dbraw/zinc/90/15/58/820901558.db2.gz COPLXKKMARUFFB-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@H](OC)C1 ZINC001082322944 820936017 /nfs/dbraw/zinc/93/60/17/820936017.db2.gz UGPNIFLTSHKRNL-ZIAGYGMSSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@H](OC)C1 ZINC001082322944 820936022 /nfs/dbraw/zinc/93/60/22/820936022.db2.gz UGPNIFLTSHKRNL-ZIAGYGMSSA-N 1 2 290.367 0.526 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@H](OC)C1 ZINC001082337112 820941606 /nfs/dbraw/zinc/94/16/06/820941606.db2.gz AQTRPQCRWPUBIH-UKRRQHHQSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@H](OC)C1 ZINC001082337112 820941613 /nfs/dbraw/zinc/94/16/13/820941613.db2.gz AQTRPQCRWPUBIH-UKRRQHHQSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccnc3)[C@H]2C1 ZINC001083050907 821125796 /nfs/dbraw/zinc/12/57/96/821125796.db2.gz IFTZPRPTBGGGDC-LSDHHAIUSA-N 1 2 285.347 0.169 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccnc3)[C@H]2C1 ZINC001083050907 821125799 /nfs/dbraw/zinc/12/57/99/821125799.db2.gz IFTZPRPTBGGGDC-LSDHHAIUSA-N 1 2 285.347 0.169 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001083117107 821137906 /nfs/dbraw/zinc/13/79/06/821137906.db2.gz YOEPJSFJTFQPGU-QWHCGFSZSA-N 1 2 291.376 0.692 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001083117107 821137907 /nfs/dbraw/zinc/13/79/07/821137907.db2.gz YOEPJSFJTFQPGU-QWHCGFSZSA-N 1 2 291.376 0.692 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001119335885 821149062 /nfs/dbraw/zinc/14/90/62/821149062.db2.gz UWNCSQAOBNJLSI-LBPRGKRZSA-N 1 2 296.396 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)cc3)[C@H]2C1 ZINC001083160377 821152375 /nfs/dbraw/zinc/15/23/75/821152375.db2.gz WJURNRLBGVLQLT-DLBZAZTESA-N 1 2 294.354 0.826 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)cc3)[C@H]2C1 ZINC001083160377 821152382 /nfs/dbraw/zinc/15/23/82/821152382.db2.gz WJURNRLBGVLQLT-DLBZAZTESA-N 1 2 294.354 0.826 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 ZINC001084212052 821222704 /nfs/dbraw/zinc/22/27/04/821222704.db2.gz ZQNYOXBJSZFKCN-NXEZZACHSA-N 1 2 264.354 0.870 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 ZINC001084212052 821222710 /nfs/dbraw/zinc/22/27/10/821222710.db2.gz ZQNYOXBJSZFKCN-NXEZZACHSA-N 1 2 264.354 0.870 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001084568301 821313474 /nfs/dbraw/zinc/31/34/74/821313474.db2.gz CBCJWICKULQALF-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC001084568301 821313483 /nfs/dbraw/zinc/31/34/83/821313483.db2.gz CBCJWICKULQALF-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCN(CC#N)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000820363195 821442123 /nfs/dbraw/zinc/44/21/23/821442123.db2.gz SUKPLBAWYXZFRZ-QBFSEMIESA-N 1 2 261.325 0.250 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001099856304 821447290 /nfs/dbraw/zinc/44/72/90/821447290.db2.gz VGXCYLFNAXKVQD-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C[C@H]1O ZINC001099856304 821447295 /nfs/dbraw/zinc/44/72/95/821447295.db2.gz VGXCYLFNAXKVQD-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C ZINC001085487907 821736645 /nfs/dbraw/zinc/73/66/45/821736645.db2.gz LYCIQDAZBYQLGQ-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C ZINC001085487907 821736650 /nfs/dbraw/zinc/73/66/50/821736650.db2.gz LYCIQDAZBYQLGQ-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001085680157 821895161 /nfs/dbraw/zinc/89/51/61/821895161.db2.gz ACRHYBXMAFXTNF-DZGCQCFKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001085680157 821895171 /nfs/dbraw/zinc/89/51/71/821895171.db2.gz ACRHYBXMAFXTNF-DZGCQCFKSA-N 1 2 286.379 0.611 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085945674 822026845 /nfs/dbraw/zinc/02/68/45/822026845.db2.gz OJRPLBSGIHPPGU-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085945674 822026847 /nfs/dbraw/zinc/02/68/47/822026847.db2.gz OJRPLBSGIHPPGU-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001085966421 822041265 /nfs/dbraw/zinc/04/12/65/822041265.db2.gz JKNCKGHTGQXLLD-CQSZACIVSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001085966421 822041270 /nfs/dbraw/zinc/04/12/70/822041270.db2.gz JKNCKGHTGQXLLD-CQSZACIVSA-N 1 2 285.347 0.565 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108227918 822041652 /nfs/dbraw/zinc/04/16/52/822041652.db2.gz IPMFQPFYFIXEBD-UMVBOHGHSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108227918 822041666 /nfs/dbraw/zinc/04/16/66/822041666.db2.gz IPMFQPFYFIXEBD-UMVBOHGHSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001108279221 822273022 /nfs/dbraw/zinc/27/30/22/822273022.db2.gz AXSFYLXENZCOFH-HNNXBMFYSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001108279221 822273030 /nfs/dbraw/zinc/27/30/30/822273030.db2.gz AXSFYLXENZCOFH-HNNXBMFYSA-N 1 2 297.399 0.294 20 30 CCEDLO CCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114066500 837420338 /nfs/dbraw/zinc/42/03/38/837420338.db2.gz DDTWAUSOXVBQFC-QISWUMQESA-N 1 2 289.339 0.338 20 30 CCEDLO CCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)n1 ZINC001114066500 837420346 /nfs/dbraw/zinc/42/03/46/837420346.db2.gz DDTWAUSOXVBQFC-QISWUMQESA-N 1 2 289.339 0.338 20 30 CCEDLO CCOC(=O)C1=C=CC(=NCCOC2=C[NH2+]CC=C2)N=C1 ZINC001157813570 837465047 /nfs/dbraw/zinc/46/50/47/837465047.db2.gz KAAGPTURBQSWCG-UHFFFAOYSA-N 1 2 285.303 0.421 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114237889 837482088 /nfs/dbraw/zinc/48/20/88/837482088.db2.gz VAFSBCHZUJQQOL-VIKVFOODSA-N 1 2 286.379 0.626 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114237889 837482089 /nfs/dbraw/zinc/48/20/89/837482089.db2.gz VAFSBCHZUJQQOL-VIKVFOODSA-N 1 2 286.379 0.626 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCC(N)=O)C1 ZINC001108332700 835971837 /nfs/dbraw/zinc/97/18/37/835971837.db2.gz FMXMQNUEXRKNDZ-HNNXBMFYSA-N 1 2 297.399 0.425 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCC(N)=O)C1 ZINC001108332700 835971847 /nfs/dbraw/zinc/97/18/47/835971847.db2.gz FMXMQNUEXRKNDZ-HNNXBMFYSA-N 1 2 297.399 0.425 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337536 835973586 /nfs/dbraw/zinc/97/35/86/835973586.db2.gz DRELBHSWXILZLU-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(F)=C(C)C)CC2=O)C1 ZINC001108533699 836425099 /nfs/dbraw/zinc/42/50/99/836425099.db2.gz ALKJHYIEDBNGRK-LLVKDONJSA-N 1 2 295.358 0.837 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C=C(\C)CC)CC2=O)C1 ZINC001108541914 836433797 /nfs/dbraw/zinc/43/37/97/836433797.db2.gz BRYXWKOIZGJIFA-WHGQRRHOSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC)C2 ZINC001108945521 836583879 /nfs/dbraw/zinc/58/38/79/836583879.db2.gz PRYCBCCMYABXBX-MQYQWHSLSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC)C2 ZINC001108945521 836583889 /nfs/dbraw/zinc/58/38/89/836583889.db2.gz PRYCBCCMYABXBX-MQYQWHSLSA-N 1 2 291.395 0.503 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OC)C2 ZINC001108997767 836594764 /nfs/dbraw/zinc/59/47/64/836594764.db2.gz LUBHHGQGVDITAQ-RNJOBUHISA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OC)C2 ZINC001108997767 836594765 /nfs/dbraw/zinc/59/47/65/836594765.db2.gz LUBHHGQGVDITAQ-RNJOBUHISA-N 1 2 295.383 0.045 20 30 CCEDLO C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056364 836608801 /nfs/dbraw/zinc/60/88/01/836608801.db2.gz AYAFPHQFYSGLIV-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058492 836609755 /nfs/dbraw/zinc/60/97/55/836609755.db2.gz YOBJSOSRYYPNIY-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058442 836609928 /nfs/dbraw/zinc/60/99/28/836609928.db2.gz WZMVPWREMHWSQS-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001109078499 836612397 /nfs/dbraw/zinc/61/23/97/836612397.db2.gz KMWWVYDIYWJMFL-RFHZTLPTSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001109078499 836612402 /nfs/dbraw/zinc/61/24/02/836612402.db2.gz KMWWVYDIYWJMFL-RFHZTLPTSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001109078500 836612986 /nfs/dbraw/zinc/61/29/86/836612986.db2.gz KMWWVYDIYWJMFL-XCCSTKFXSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001109078500 836612994 /nfs/dbraw/zinc/61/29/94/836612994.db2.gz KMWWVYDIYWJMFL-XCCSTKFXSA-N 1 2 287.367 0.801 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)NC)C2 ZINC001109190340 836635111 /nfs/dbraw/zinc/63/51/11/836635111.db2.gz JHDCSJZUCYUZMI-VWYCJHECSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)NC)C2 ZINC001109190340 836635118 /nfs/dbraw/zinc/63/51/18/836635118.db2.gz JHDCSJZUCYUZMI-VWYCJHECSA-N 1 2 285.775 0.597 20 30 CCEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001109311420 836655220 /nfs/dbraw/zinc/65/52/20/836655220.db2.gz QGSALHUXIXSZIV-WOPDTQHZSA-N 1 2 290.367 0.148 20 30 CCEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001109311420 836655224 /nfs/dbraw/zinc/65/52/24/836655224.db2.gz QGSALHUXIXSZIV-WOPDTQHZSA-N 1 2 290.367 0.148 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001109597287 836703119 /nfs/dbraw/zinc/70/31/19/836703119.db2.gz GMHPXRPTKRGLGM-YJQGPUDQSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001109597287 836703123 /nfs/dbraw/zinc/70/31/23/836703123.db2.gz GMHPXRPTKRGLGM-YJQGPUDQSA-N 1 2 299.802 0.972 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001110051912 836774840 /nfs/dbraw/zinc/77/48/40/836774840.db2.gz FBBANVVSCZCUMQ-XBFCOCLRSA-N 1 2 287.367 0.598 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112629814 836832352 /nfs/dbraw/zinc/83/23/52/836832352.db2.gz AIURYVWRLBZTSN-UHFFFAOYSA-N 1 2 297.424 0.814 20 30 CCEDLO C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)CSCC#N)CC2)O1 ZINC001112629929 836832877 /nfs/dbraw/zinc/83/28/77/836832877.db2.gz HQPAGONQEGVSLW-CHWSQXEVSA-N 1 2 297.424 0.955 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnnn2CC)CC1 ZINC001112821108 836928239 /nfs/dbraw/zinc/92/82/39/836928239.db2.gz LCMQLHFSYGPOEH-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001112831995 836929443 /nfs/dbraw/zinc/92/94/43/836929443.db2.gz AKWCZHBFZUAUJQ-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001112841714 836939462 /nfs/dbraw/zinc/93/94/62/836939462.db2.gz JPAHPTHDSAMMCG-OAHLLOKOSA-N 1 2 296.411 0.986 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc(OC)n2)CC1 ZINC001113158873 837040049 /nfs/dbraw/zinc/04/00/49/837040049.db2.gz OPGXNUJNCLGFEJ-UHFFFAOYSA-N 1 2 295.339 0.644 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113710887 837201496 /nfs/dbraw/zinc/20/14/96/837201496.db2.gz YCBZMYMLQYTVSV-ZDUSSCGKSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001113742419 837210472 /nfs/dbraw/zinc/21/04/72/837210472.db2.gz ZSOZCJCWFXXECL-LBPRGKRZSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001131867485 838253515 /nfs/dbraw/zinc/25/35/15/838253515.db2.gz QMLQOKHHJDAYQD-CYBMUJFWSA-N 1 2 298.412 0.973 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CN1CC#N ZINC001132196046 838337474 /nfs/dbraw/zinc/33/74/74/838337474.db2.gz XYOZHMNZTDYQSV-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001110356771 844340702 /nfs/dbraw/zinc/34/07/02/844340702.db2.gz NZRZOTZNIPWRNE-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNCC#N ZINC001133134312 838559754 /nfs/dbraw/zinc/55/97/54/838559754.db2.gz CJLHMCVGOHQSQV-NEPJUHHUSA-N 1 2 275.356 0.550 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNCC#N ZINC001133134314 838560131 /nfs/dbraw/zinc/56/01/31/838560131.db2.gz CJLHMCVGOHQSQV-RYUDHWBXSA-N 1 2 275.356 0.550 20 30 CCEDLO CN1CC[N@H+](C)C[C@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001185254565 844379078 /nfs/dbraw/zinc/37/90/78/844379078.db2.gz FEHYTAVTGOQAJR-LBPRGKRZSA-N 1 2 291.355 0.058 20 30 CCEDLO CN1CC[N@@H+](C)C[C@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001185254565 844379090 /nfs/dbraw/zinc/37/90/90/844379090.db2.gz FEHYTAVTGOQAJR-LBPRGKRZSA-N 1 2 291.355 0.058 20 30 CCEDLO C[C@@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)NCC#N ZINC001135131326 839167321 /nfs/dbraw/zinc/16/73/21/839167321.db2.gz GFENAEIYISDBRO-RYUDHWBXSA-N 1 2 263.345 0.670 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1CNCC#N ZINC001185502278 844426069 /nfs/dbraw/zinc/42/60/69/844426069.db2.gz LHHJEYAGRPRAHA-QWHCGFSZSA-N 1 2 289.383 0.560 20 30 CCEDLO COC(=O)CNC(=O)CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001159824633 839597122 /nfs/dbraw/zinc/59/71/22/839597122.db2.gz IJJOAIKOVRWJQO-UHFFFAOYSA-N 1 2 298.302 0.808 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090671160 839725283 /nfs/dbraw/zinc/72/52/83/839725283.db2.gz GUNIKKSMZHYTHA-QWRGUYRKSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090671160 839725295 /nfs/dbraw/zinc/72/52/95/839725295.db2.gz GUNIKKSMZHYTHA-QWRGUYRKSA-N 1 2 298.774 0.256 20 30 CCEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1noc(C(N)=O)n1 ZINC001171186905 840056022 /nfs/dbraw/zinc/05/60/22/840056022.db2.gz ZWQZQOLUGNOJLI-VIFPVBQESA-N 1 2 285.307 0.761 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091228095 840150214 /nfs/dbraw/zinc/15/02/14/840150214.db2.gz YCTCTKUWXSUVKL-HTAVTVPLSA-N 1 2 287.367 0.838 20 30 CCEDLO C=CC[NH2+]CCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001147382991 840576233 /nfs/dbraw/zinc/57/62/33/840576233.db2.gz UHYXRWBFRLLHFP-UHFFFAOYSA-N 1 2 274.328 0.316 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036786398 841217152 /nfs/dbraw/zinc/21/71/52/841217152.db2.gz URLOMODFWLVMKU-ZIAGYGMSSA-N 1 2 287.367 0.720 20 30 CCEDLO COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)cc[nH+]1 ZINC001186977068 844631061 /nfs/dbraw/zinc/63/10/61/844631061.db2.gz JIKVGVNFBDOXNU-DGCLKSJQSA-N 1 2 286.335 0.898 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnon3)CC2)C1 ZINC001093585344 841352102 /nfs/dbraw/zinc/35/21/02/841352102.db2.gz ZDZIQEAUMQUGMY-UHFFFAOYSA-N 1 2 292.339 0.561 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001093829733 841471125 /nfs/dbraw/zinc/47/11/25/841471125.db2.gz WYLUMCNVJRURJH-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001094168161 841553547 /nfs/dbraw/zinc/55/35/47/841553547.db2.gz VTMTXHIYLNACOT-NSHDSACASA-N 1 2 299.338 0.724 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)Cn1cc[nH+]c1 ZINC001094471529 841642165 /nfs/dbraw/zinc/64/21/65/841642165.db2.gz KGLJFRBBPKRNTJ-UHFFFAOYSA-N 1 2 284.323 0.190 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC3(C)C)CC2=O)C1 ZINC001094726517 841712870 /nfs/dbraw/zinc/71/28/70/841712870.db2.gz RGSTVDMEMKYKGM-DGCLKSJQSA-N 1 2 291.395 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC3(C)C)CC2=O)C1 ZINC001094726516 841713458 /nfs/dbraw/zinc/71/34/58/841713458.db2.gz RGSTVDMEMKYKGM-AAEUAGOBSA-N 1 2 291.395 0.620 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095064503 842016457 /nfs/dbraw/zinc/01/64/57/842016457.db2.gz RVTXOAJOONLSHC-CYBMUJFWSA-N 1 2 288.351 0.838 20 30 CCEDLO CCOC(=O)C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001173643461 842127719 /nfs/dbraw/zinc/12/77/19/842127719.db2.gz WSTSXFHRVAEZRD-UPJWGTAASA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCO[C@H](C#N)C3)cc2C1 ZINC001175077443 842228717 /nfs/dbraw/zinc/22/87/17/842228717.db2.gz OCSDDHWJMUBRKA-GFCCVEGCSA-N 1 2 289.339 0.083 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)N3CCO[C@H](C#N)C3)cc2C1 ZINC001175077443 842228722 /nfs/dbraw/zinc/22/87/22/842228722.db2.gz OCSDDHWJMUBRKA-GFCCVEGCSA-N 1 2 289.339 0.083 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCC#N ZINC001176381435 842361003 /nfs/dbraw/zinc/36/10/03/842361003.db2.gz YXKKPAAIBIYNGD-GFCCVEGCSA-N 1 2 277.328 0.267 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCC#N ZINC001176381435 842361015 /nfs/dbraw/zinc/36/10/15/842361015.db2.gz YXKKPAAIBIYNGD-GFCCVEGCSA-N 1 2 277.328 0.267 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836595 842420642 /nfs/dbraw/zinc/42/06/42/842420642.db2.gz LLHGOQDUWTZYMO-UHFFFAOYSA-N 1 2 274.240 0.274 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)CCn1cc[nH+]c1 ZINC001176884059 842441052 /nfs/dbraw/zinc/44/10/52/842441052.db2.gz SNYOGVSMOMEEHE-UHFFFAOYSA-N 1 2 264.329 0.472 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957014 842468805 /nfs/dbraw/zinc/46/88/05/842468805.db2.gz MNUUSYWMCAWRGL-KBPBESRZSA-N 1 2 299.378 0.622 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177163041 842515059 /nfs/dbraw/zinc/51/50/59/842515059.db2.gz QTGLLHZQYYHXRT-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177163041 842515064 /nfs/dbraw/zinc/51/50/64/842515064.db2.gz QTGLLHZQYYHXRT-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(c3cnccn3)CC2)CC1 ZINC001178024420 842743703 /nfs/dbraw/zinc/74/37/03/842743703.db2.gz XXBHQTNFNCOXMW-UHFFFAOYSA-N 1 2 272.352 0.838 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110232712 843056889 /nfs/dbraw/zinc/05/68/89/843056889.db2.gz SUWVKJGBCNPMNA-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110232712 843056903 /nfs/dbraw/zinc/05/69/03/843056903.db2.gz SUWVKJGBCNPMNA-MCIONIFRSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110236957 843162853 /nfs/dbraw/zinc/16/28/53/843162853.db2.gz YKYWCVNLJNUSPK-LLVKDONJSA-N 1 2 288.351 0.884 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC2CCN(C(C)=O)CC2)CC1 ZINC001180656232 843251446 /nfs/dbraw/zinc/25/14/46/843251446.db2.gz HUIFILQMKRDACB-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(Cl)ccc2=O)CC1 ZINC001181893340 843638776 /nfs/dbraw/zinc/63/87/76/843638776.db2.gz RIBNGNDJIRNTOW-UHFFFAOYSA-N 1 2 296.758 0.227 20 30 CCEDLO C#CC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001182642093 843885903 /nfs/dbraw/zinc/88/59/03/843885903.db2.gz ZGPOELOPXAYWOM-NSHDSACASA-N 1 2 277.324 0.660 20 30 CCEDLO C#CC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001182642093 843885912 /nfs/dbraw/zinc/88/59/12/843885912.db2.gz ZGPOELOPXAYWOM-NSHDSACASA-N 1 2 277.324 0.660 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001182932291 843943967 /nfs/dbraw/zinc/94/39/67/843943967.db2.gz JSZACPVBKBMICH-LLVKDONJSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001188287960 844855203 /nfs/dbraw/zinc/85/52/03/844855203.db2.gz VPLOUJCAZZTVPA-LLVKDONJSA-N 1 2 296.396 0.821 20 30 CCEDLO COc1ccc(C#N)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC001189066960 845033388 /nfs/dbraw/zinc/03/33/88/845033388.db2.gz MVXRVSUYVMDCHE-UHFFFAOYSA-N 1 2 259.309 0.954 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(NC(C)=O)nc2)CC1 ZINC001189906290 845260891 /nfs/dbraw/zinc/26/08/91/845260891.db2.gz RMQYWBFCMDEBFK-UHFFFAOYSA-N 1 2 288.351 0.984 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001190045887 845315106 /nfs/dbraw/zinc/31/51/06/845315106.db2.gz DKIBQMJPWHOTMK-ZDUSSCGKSA-N 1 2 289.383 0.507 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001190045887 845315113 /nfs/dbraw/zinc/31/51/13/845315113.db2.gz DKIBQMJPWHOTMK-ZDUSSCGKSA-N 1 2 289.383 0.507 20 30 CCEDLO C#Cc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001191116233 845584406 /nfs/dbraw/zinc/58/44/06/845584406.db2.gz FNEOMGZZOYMNMB-ZDUSSCGKSA-N 1 2 258.321 0.728 20 30 CCEDLO C#Cc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001191116233 845584410 /nfs/dbraw/zinc/58/44/10/845584410.db2.gz FNEOMGZZOYMNMB-ZDUSSCGKSA-N 1 2 258.321 0.728 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191156188 845598785 /nfs/dbraw/zinc/59/87/85/845598785.db2.gz GMBNIQIWUWALIK-UFLMBTITSA-N 1 2 289.788 0.157 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191156188 845598786 /nfs/dbraw/zinc/59/87/86/845598786.db2.gz GMBNIQIWUWALIK-UFLMBTITSA-N 1 2 289.788 0.157 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2ccnc(C#N)c2)c1 ZINC001191555484 845690217 /nfs/dbraw/zinc/69/02/17/845690217.db2.gz FKAYDNPTKGJNCO-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@H]1O ZINC001191622462 845696178 /nfs/dbraw/zinc/69/61/78/845696178.db2.gz NLAFMGXFFIDUIJ-BFHYXJOUSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@H]1O ZINC001191622462 845696182 /nfs/dbraw/zinc/69/61/82/845696182.db2.gz NLAFMGXFFIDUIJ-BFHYXJOUSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001191724542 845717583 /nfs/dbraw/zinc/71/75/83/845717583.db2.gz KNPGGXYSCUVUGG-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001191724542 845717588 /nfs/dbraw/zinc/71/75/88/845717588.db2.gz KNPGGXYSCUVUGG-CHWSQXEVSA-N 1 2 279.340 0.611 20 30 CCEDLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191854258 845742070 /nfs/dbraw/zinc/74/20/70/845742070.db2.gz KHVXNVXYXLJBFH-OASPWFOLSA-N 1 2 292.339 0.058 20 30 CCEDLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191854258 845742071 /nfs/dbraw/zinc/74/20/71/845742071.db2.gz KHVXNVXYXLJBFH-OASPWFOLSA-N 1 2 292.339 0.058 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001191863085 845743218 /nfs/dbraw/zinc/74/32/18/845743218.db2.gz CCXQJNPLVHILCK-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001191863085 845743221 /nfs/dbraw/zinc/74/32/21/845743221.db2.gz CCXQJNPLVHILCK-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001192509872 845859424 /nfs/dbraw/zinc/85/94/24/845859424.db2.gz DNVPIFBGAQJUTG-CHWSQXEVSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001192509872 845859437 /nfs/dbraw/zinc/85/94/37/845859437.db2.gz DNVPIFBGAQJUTG-CHWSQXEVSA-N 1 2 291.351 0.448 20 30 CCEDLO N#CCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001192961611 845936576 /nfs/dbraw/zinc/93/65/76/845936576.db2.gz VGODAVTUVVEPNT-UHFFFAOYSA-N 1 2 299.421 0.762 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC001193198144 846015503 /nfs/dbraw/zinc/01/55/03/846015503.db2.gz GNVUEJYRTLZVQH-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC001193198144 846015507 /nfs/dbraw/zinc/01/55/07/846015507.db2.gz GNVUEJYRTLZVQH-VHSXEESVSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@](C)(O)C=C)O2 ZINC001273656059 846038775 /nfs/dbraw/zinc/03/87/75/846038775.db2.gz UGCNJMAMFNJPPR-DZGCQCFKSA-N 1 2 294.395 0.849 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001193391388 846070439 /nfs/dbraw/zinc/07/04/39/846070439.db2.gz NSXOPBLESBLUGX-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001193391388 846070449 /nfs/dbraw/zinc/07/04/49/846070449.db2.gz NSXOPBLESBLUGX-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001194700059 846347595 /nfs/dbraw/zinc/34/75/95/846347595.db2.gz YOQJMCDZOIIUBN-OLZOCXBDSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001194700059 846347602 /nfs/dbraw/zinc/34/76/02/846347602.db2.gz YOQJMCDZOIIUBN-OLZOCXBDSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194738749 846364681 /nfs/dbraw/zinc/36/46/81/846364681.db2.gz CHMYPSBHJWLOBN-GFCCVEGCSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194738749 846364695 /nfs/dbraw/zinc/36/46/95/846364695.db2.gz CHMYPSBHJWLOBN-GFCCVEGCSA-N 1 2 299.440 0.574 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 ZINC001194789880 846385429 /nfs/dbraw/zinc/38/54/29/846385429.db2.gz RXAJQYGGYRCUBJ-OPRDCNLKSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 ZINC001194789880 846385439 /nfs/dbraw/zinc/38/54/39/846385439.db2.gz RXAJQYGGYRCUBJ-OPRDCNLKSA-N 1 2 260.284 0.072 20 30 CCEDLO C=CCOCC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001273685749 846396345 /nfs/dbraw/zinc/39/63/45/846396345.db2.gz MBOOAZFHAZUYCP-GFCCVEGCSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)OCC)CC1 ZINC001194954186 846425356 /nfs/dbraw/zinc/42/53/56/846425356.db2.gz DIRRHNPZSVZGBV-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)OCC)CC1 ZINC001194954186 846425360 /nfs/dbraw/zinc/42/53/60/846425360.db2.gz DIRRHNPZSVZGBV-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(=O)n(C)c2)CC1 ZINC001195110414 846461850 /nfs/dbraw/zinc/46/18/50/846461850.db2.gz JGDJFOYWLANWCS-UHFFFAOYSA-N 1 2 275.352 0.638 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001195278422 846491094 /nfs/dbraw/zinc/49/10/94/846491094.db2.gz UJJNXTLHRNATOH-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001195278422 846491098 /nfs/dbraw/zinc/49/10/98/846491098.db2.gz UJJNXTLHRNATOH-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001195314103 846503793 /nfs/dbraw/zinc/50/37/93/846503793.db2.gz HRCMBDOXNNCCNP-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001195314103 846503805 /nfs/dbraw/zinc/50/38/05/846503805.db2.gz HRCMBDOXNNCCNP-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315077 846504811 /nfs/dbraw/zinc/50/48/11/846504811.db2.gz XEUADGKDOQRLOC-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315077 846504818 /nfs/dbraw/zinc/50/48/18/846504818.db2.gz XEUADGKDOQRLOC-CYBMUJFWSA-N 1 2 294.399 0.597 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001273697744 846529236 /nfs/dbraw/zinc/52/92/36/846529236.db2.gz YMQVNLHGGPJHDH-KBPBESRZSA-N 1 2 292.379 0.560 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2O)CCC1 ZINC001195542536 846571482 /nfs/dbraw/zinc/57/14/82/846571482.db2.gz SVACUAGXQVIEFN-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2O)CCC1 ZINC001195542536 846571488 /nfs/dbraw/zinc/57/14/88/846571488.db2.gz SVACUAGXQVIEFN-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(=O)NC)CC1 ZINC001195613125 846594073 /nfs/dbraw/zinc/59/40/73/846594073.db2.gz VKHXBBXNBAGDCQ-UHFFFAOYSA-N 1 2 273.764 0.409 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(=O)NC)CC1 ZINC001195613125 846594078 /nfs/dbraw/zinc/59/40/78/846594078.db2.gz VKHXBBXNBAGDCQ-UHFFFAOYSA-N 1 2 273.764 0.409 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195753972 846608349 /nfs/dbraw/zinc/60/83/49/846608349.db2.gz GEYIKZLGZQIXSC-LBPRGKRZSA-N 1 2 265.357 0.054 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195753972 846608355 /nfs/dbraw/zinc/60/83/55/846608355.db2.gz GEYIKZLGZQIXSC-LBPRGKRZSA-N 1 2 265.357 0.054 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196889329 846811517 /nfs/dbraw/zinc/81/15/17/846811517.db2.gz BZVZZQLRJJPANJ-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196889329 846811522 /nfs/dbraw/zinc/81/15/22/846811522.db2.gz BZVZZQLRJJPANJ-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nccn2CCOC)CC1 ZINC001199405628 847326134 /nfs/dbraw/zinc/32/61/34/847326134.db2.gz UHAMBJJHHRNGIW-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC(=C)C)C(=O)CO2 ZINC001273886597 847731956 /nfs/dbraw/zinc/73/19/56/847731956.db2.gz ZSGVUYIOYASBDN-GFCCVEGCSA-N 1 2 266.341 0.023 20 30 CCEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201514558 847786740 /nfs/dbraw/zinc/78/67/40/847786740.db2.gz HDDCPDWHAWHYIT-CYBMUJFWSA-N 1 2 278.356 0.345 20 30 CCEDLO N#CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001274032593 848313074 /nfs/dbraw/zinc/31/30/74/848313074.db2.gz STEKRTQHZQYLEU-ZDUSSCGKSA-N 1 2 287.310 0.716 20 30 CCEDLO N#CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001274032593 848313081 /nfs/dbraw/zinc/31/30/81/848313081.db2.gz STEKRTQHZQYLEU-ZDUSSCGKSA-N 1 2 287.310 0.716 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@H](O)CC)C[C@@]2(F)C1=O ZINC001274551929 848501314 /nfs/dbraw/zinc/50/13/14/848501314.db2.gz CPNMGMMFCVNYER-KWCYVHTRSA-N 1 2 288.338 0.908 20 30 CCEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@H](O)CC)C[C@@]2(F)C1=O ZINC001274551929 848501320 /nfs/dbraw/zinc/50/13/20/848501320.db2.gz CPNMGMMFCVNYER-KWCYVHTRSA-N 1 2 288.338 0.908 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645673 849003819 /nfs/dbraw/zinc/00/38/19/849003819.db2.gz CHLCMCMFEZAJGM-UXOAXIEHSA-N 1 2 299.378 0.691 20 30 CCEDLO N#CC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000932895955 849054690 /nfs/dbraw/zinc/05/46/90/849054690.db2.gz VMFVSTLLIYOWHT-VXNVDRBHSA-N 1 2 287.245 0.952 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccnc(C#N)n1 ZINC001095746201 849131390 /nfs/dbraw/zinc/13/13/90/849131390.db2.gz JMCQXHKSOSUSSL-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038649058 849243878 /nfs/dbraw/zinc/24/38/78/849243878.db2.gz XVXWMDNDSBVVQK-WDEREUQCSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038649058 849243883 /nfs/dbraw/zinc/24/38/83/849243883.db2.gz XVXWMDNDSBVVQK-WDEREUQCSA-N 1 2 273.340 0.048 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001038246187 849829246 /nfs/dbraw/zinc/82/92/46/849829246.db2.gz WOKBVULARNLWIS-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001038246187 849829253 /nfs/dbraw/zinc/82/92/53/849829253.db2.gz WOKBVULARNLWIS-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001038315658 849848498 /nfs/dbraw/zinc/84/84/98/849848498.db2.gz SVSZAYZQZBTDMO-QMMMGPOBSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001038315658 849848505 /nfs/dbraw/zinc/84/85/05/849848505.db2.gz SVSZAYZQZBTDMO-QMMMGPOBSA-N 1 2 297.156 0.610 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322648 849852702 /nfs/dbraw/zinc/85/27/02/849852702.db2.gz BXHBXJOMAGEMDJ-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322648 849852710 /nfs/dbraw/zinc/85/27/10/849852710.db2.gz BXHBXJOMAGEMDJ-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1NC(=O)CO2 ZINC001038350406 849860934 /nfs/dbraw/zinc/86/09/34/849860934.db2.gz ZUAMMTANAGVEPZ-NSHDSACASA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1NC(=O)CO2 ZINC001038350406 849860939 /nfs/dbraw/zinc/86/09/39/849860939.db2.gz ZUAMMTANAGVEPZ-NSHDSACASA-N 1 2 299.330 0.455 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423883 849890126 /nfs/dbraw/zinc/89/01/26/849890126.db2.gz GWVFTBYVFPRUNU-YPMHNXCESA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001038426576 849892292 /nfs/dbraw/zinc/89/22/92/849892292.db2.gz JRNWODJDNDVIBU-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001038426576 849892298 /nfs/dbraw/zinc/89/22/98/849892298.db2.gz JRNWODJDNDVIBU-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038432846 849896953 /nfs/dbraw/zinc/89/69/53/849896953.db2.gz YQCSIQXCONSRGL-DZGCQCFKSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038432846 849896958 /nfs/dbraw/zinc/89/69/58/849896958.db2.gz YQCSIQXCONSRGL-DZGCQCFKSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038450299 849905040 /nfs/dbraw/zinc/90/50/40/849905040.db2.gz ITRSGSRFGYOQJO-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038450299 849905049 /nfs/dbraw/zinc/90/50/49/849905049.db2.gz ITRSGSRFGYOQJO-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038489662 849920034 /nfs/dbraw/zinc/92/00/34/849920034.db2.gz RKPCIZVFXMOXKZ-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038489662 849920045 /nfs/dbraw/zinc/92/00/45/849920045.db2.gz RKPCIZVFXMOXKZ-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001038510637 849926207 /nfs/dbraw/zinc/92/62/07/849926207.db2.gz OPJQMJDXOGCMOI-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001038510637 849926209 /nfs/dbraw/zinc/92/62/09/849926209.db2.gz OPJQMJDXOGCMOI-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001038542599 849937787 /nfs/dbraw/zinc/93/77/87/849937787.db2.gz KLGSMDWIVAQXFZ-LJISPDSOSA-N 1 2 292.379 0.252 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001038542599 849937794 /nfs/dbraw/zinc/93/77/94/849937794.db2.gz KLGSMDWIVAQXFZ-LJISPDSOSA-N 1 2 292.379 0.252 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001038590636 849954857 /nfs/dbraw/zinc/95/48/57/849954857.db2.gz YRHXGDRBSXOLEI-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001038590636 849954846 /nfs/dbraw/zinc/95/48/46/849954846.db2.gz YRHXGDRBSXOLEI-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001038704673 849989361 /nfs/dbraw/zinc/98/93/61/849989361.db2.gz XZPTVRATDGMVMI-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001038704673 849989368 /nfs/dbraw/zinc/98/93/68/849989368.db2.gz XZPTVRATDGMVMI-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001038725059 849995824 /nfs/dbraw/zinc/99/58/24/849995824.db2.gz KOJAWEPTQJTXIH-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001038725059 849995835 /nfs/dbraw/zinc/99/58/35/849995835.db2.gz KOJAWEPTQJTXIH-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1CC#N ZINC001038721769 849997128 /nfs/dbraw/zinc/99/71/28/849997128.db2.gz UYSJYFZZYJCVCG-QJPTWQEYSA-N 1 2 273.340 0.238 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(OC)nc1 ZINC001038877670 850062444 /nfs/dbraw/zinc/06/24/44/850062444.db2.gz HVIQFZNFFHGEDH-LBPRGKRZSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(OC)nc1 ZINC001038877670 850062453 /nfs/dbraw/zinc/06/24/53/850062453.db2.gz HVIQFZNFFHGEDH-LBPRGKRZSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nn1 ZINC001038882643 850067516 /nfs/dbraw/zinc/06/75/16/850067516.db2.gz DZFQVHUVLBBBCN-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nn1 ZINC001038882643 850067525 /nfs/dbraw/zinc/06/75/25/850067525.db2.gz DZFQVHUVLBBBCN-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001038896268 850072863 /nfs/dbraw/zinc/07/28/63/850072863.db2.gz ZWPJJLIAKSCVKU-NEPJUHHUSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001038896268 850072873 /nfs/dbraw/zinc/07/28/73/850072873.db2.gz ZWPJJLIAKSCVKU-NEPJUHHUSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001038896268 850072881 /nfs/dbraw/zinc/07/28/81/850072881.db2.gz ZWPJJLIAKSCVKU-NEPJUHHUSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001038896268 850072891 /nfs/dbraw/zinc/07/28/91/850072891.db2.gz ZWPJJLIAKSCVKU-NEPJUHHUSA-N 1 2 274.368 0.891 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#CC)cn1 ZINC001038933089 850090761 /nfs/dbraw/zinc/09/07/61/850090761.db2.gz RYYOTJRWTYQGGT-OAHLLOKOSA-N 1 2 267.332 0.890 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)cn1 ZINC001038933089 850090774 /nfs/dbraw/zinc/09/07/74/850090774.db2.gz RYYOTJRWTYQGGT-OAHLLOKOSA-N 1 2 267.332 0.890 20 30 CCEDLO N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039313446 850170544 /nfs/dbraw/zinc/17/05/44/850170544.db2.gz VADNLERSEXPEHO-AGUYFDCRSA-N 1 2 287.367 0.908 20 30 CCEDLO N#CCN1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040422206 850291529 /nfs/dbraw/zinc/29/15/29/850291529.db2.gz KVERMGNWXICRMG-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042174393 850586370 /nfs/dbraw/zinc/58/63/70/850586370.db2.gz WWSOHFOREWRTHT-KGLIPLIRSA-N 1 2 287.367 0.720 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210371 850595714 /nfs/dbraw/zinc/59/57/14/850595714.db2.gz IKNGEBRPMRQNLV-NXEZZACHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210371 850595721 /nfs/dbraw/zinc/59/57/21/850595721.db2.gz IKNGEBRPMRQNLV-NXEZZACHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042710777 850740586 /nfs/dbraw/zinc/74/05/86/850740586.db2.gz IBEKWJXQPDWLMT-GHMZBOCLSA-N 1 2 253.302 0.370 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001042704543 850741307 /nfs/dbraw/zinc/74/13/07/850741307.db2.gz OIPBKXXDMSZUOB-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001042828831 850765624 /nfs/dbraw/zinc/76/56/24/850765624.db2.gz UOHFTUACQZFMQX-LBPRGKRZSA-N 1 2 279.384 0.572 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001043640752 850915452 /nfs/dbraw/zinc/91/54/52/850915452.db2.gz FYRMPKIBEDVYAX-GFCCVEGCSA-N 1 2 288.395 0.854 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001043788293 850935385 /nfs/dbraw/zinc/93/53/85/850935385.db2.gz LPQWYPLSQOIXTI-YPMHNXCESA-N 1 2 252.358 0.988 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043794570 850936146 /nfs/dbraw/zinc/93/61/46/850936146.db2.gz HPEWRRSPODOCGP-UHFFFAOYSA-N 1 2 252.358 0.868 20 30 CCEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC001043839590 850948468 /nfs/dbraw/zinc/94/84/68/850948468.db2.gz QHAXWCWEYZONDA-NSHDSACASA-N 1 2 273.340 0.496 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001043902037 850960595 /nfs/dbraw/zinc/96/05/95/850960595.db2.gz WMTLOYLMBRIDTP-UHFFFAOYSA-N 1 2 277.324 0.738 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001044344789 851081911 /nfs/dbraw/zinc/08/19/11/851081911.db2.gz HADHYLCSEFLLSN-CYBMUJFWSA-N 1 2 265.357 0.326 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001044344785 851083391 /nfs/dbraw/zinc/08/33/91/851083391.db2.gz GTJWAENAKPBTLG-CQSZACIVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001044387453 851092773 /nfs/dbraw/zinc/09/27/73/851092773.db2.gz XCLRPSZPYVGBIQ-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001044960452 851195069 /nfs/dbraw/zinc/19/50/69/851195069.db2.gz DFSHHPGCRASDON-MNOVXSKESA-N 1 2 291.355 0.872 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001045997179 851343201 /nfs/dbraw/zinc/34/32/01/851343201.db2.gz MJWMYHZPYWZDPM-HNNXBMFYSA-N 1 2 290.411 0.919 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046051518 851356679 /nfs/dbraw/zinc/35/66/79/851356679.db2.gz JJCRBHUMEVUTRA-AWEZNQCLSA-N 1 2 290.411 0.941 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046360258 851473955 /nfs/dbraw/zinc/47/39/55/851473955.db2.gz QFPCIQFRMICELZ-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046360258 851473959 /nfs/dbraw/zinc/47/39/59/851473959.db2.gz QFPCIQFRMICELZ-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN(CC#N)C1 ZINC001046429267 851498708 /nfs/dbraw/zinc/49/87/08/851498708.db2.gz RCAAQZNGASGQAT-SWLSCSKDSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770071 851608149 /nfs/dbraw/zinc/60/81/49/851608149.db2.gz BYUDDDSABPYLEJ-ABAIWWIYSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001046770071 851608153 /nfs/dbraw/zinc/60/81/53/851608153.db2.gz BYUDDDSABPYLEJ-ABAIWWIYSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770071 851608157 /nfs/dbraw/zinc/60/81/57/851608157.db2.gz BYUDDDSABPYLEJ-ABAIWWIYSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001046770071 851608161 /nfs/dbraw/zinc/60/81/61/851608161.db2.gz BYUDDDSABPYLEJ-ABAIWWIYSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001047277348 851692541 /nfs/dbraw/zinc/69/25/41/851692541.db2.gz SOOVPFCSWRNTAY-QWRGUYRKSA-N 1 2 256.321 0.261 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001047277348 851692543 /nfs/dbraw/zinc/69/25/43/851692543.db2.gz SOOVPFCSWRNTAY-QWRGUYRKSA-N 1 2 256.321 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccs2)C1 ZINC001047288205 851699081 /nfs/dbraw/zinc/69/90/81/851699081.db2.gz LKJFMQBUHSZSJV-QWRGUYRKSA-N 1 2 264.350 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccs2)C1 ZINC001047288205 851699086 /nfs/dbraw/zinc/69/90/86/851699086.db2.gz LKJFMQBUHSZSJV-QWRGUYRKSA-N 1 2 264.350 0.498 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2CC)C1 ZINC001047519690 851799036 /nfs/dbraw/zinc/79/90/36/851799036.db2.gz MRWAWSFSHUEMLW-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2CC)C1 ZINC001047519690 851799039 /nfs/dbraw/zinc/79/90/39/851799039.db2.gz MRWAWSFSHUEMLW-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnns1 ZINC001049353790 852237416 /nfs/dbraw/zinc/23/74/16/852237416.db2.gz NFVODPYXGSNENX-WDEREUQCSA-N 1 2 276.365 0.850 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnns1 ZINC001049353790 852237432 /nfs/dbraw/zinc/23/74/32/852237432.db2.gz NFVODPYXGSNENX-WDEREUQCSA-N 1 2 276.365 0.850 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001097792332 852614570 /nfs/dbraw/zinc/61/45/70/852614570.db2.gz PNWOASILCNARMG-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001097793382 852615918 /nfs/dbraw/zinc/61/59/18/852615918.db2.gz ZAYMMWPLSCGNID-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)CCO2 ZINC001053166560 852699041 /nfs/dbraw/zinc/69/90/41/852699041.db2.gz KDPPYOLJEHJQFQ-UHFFFAOYSA-N 1 2 276.340 0.513 20 30 CCEDLO CC[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 ZINC001053210802 852710930 /nfs/dbraw/zinc/71/09/30/852710930.db2.gz PHLMEMIYCFUCCC-UHFFFAOYSA-N 1 2 274.324 0.433 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H](C)CO1)CCO2 ZINC001053347637 852730924 /nfs/dbraw/zinc/73/09/24/852730924.db2.gz NUWKVDFGYQVSQE-KBPBESRZSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCO1)O2 ZINC001053566282 852760203 /nfs/dbraw/zinc/76/02/03/852760203.db2.gz KFWXNJPPKFAFNK-OLZOCXBDSA-N 1 2 280.368 0.701 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C)[nH]1)O2 ZINC001053583464 852765640 /nfs/dbraw/zinc/76/56/40/852765640.db2.gz AYMQWNUHVMRGCH-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCO1)CO2 ZINC001053729927 852792569 /nfs/dbraw/zinc/79/25/69/852792569.db2.gz VVKDAZRDGZDJHI-STQMWFEESA-N 1 2 280.368 0.701 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn1C)CO2 ZINC001053742782 852797223 /nfs/dbraw/zinc/79/72/23/852797223.db2.gz DQUQLSKHHLKGCQ-ZDUSSCGKSA-N 1 2 287.363 0.622 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccon1)CO2 ZINC001053749047 852803002 /nfs/dbraw/zinc/80/30/02/852803002.db2.gz JLEMKKAHFQTYFT-NSHDSACASA-N 1 2 275.308 0.271 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(F)CCOC1)CO2 ZINC001053906404 852843710 /nfs/dbraw/zinc/84/37/10/852843710.db2.gz ZBRXUXDLPVVQDE-WFASDCNBSA-N 1 2 298.358 0.651 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c[nH]1)CO2 ZINC001053949675 852853217 /nfs/dbraw/zinc/85/32/17/852853217.db2.gz NIDOLVQURKVUCR-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001054640539 852986081 /nfs/dbraw/zinc/98/60/81/852986081.db2.gz ZGBSMXHTRIXDFZ-GWCFXTLKSA-N 1 2 290.392 0.888 20 30 CCEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC001054640554 852986301 /nfs/dbraw/zinc/98/63/01/852986301.db2.gz ZHDNHROOQAEJGN-ZWNOBZJWSA-N 1 2 290.392 0.888 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001050973631 853498428 /nfs/dbraw/zinc/49/84/28/853498428.db2.gz XJBJBOIZYVRMKQ-NSHDSACASA-N 1 2 294.355 0.430 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001050973631 853498435 /nfs/dbraw/zinc/49/84/35/853498435.db2.gz XJBJBOIZYVRMKQ-NSHDSACASA-N 1 2 294.355 0.430 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC001051170625 853536899 /nfs/dbraw/zinc/53/68/99/853536899.db2.gz DKSWRJFZGYURRB-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncn1 ZINC001051170625 853536907 /nfs/dbraw/zinc/53/69/07/853536907.db2.gz DKSWRJFZGYURRB-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccn1 ZINC001051172362 853537441 /nfs/dbraw/zinc/53/74/41/853537441.db2.gz HSUFPDPWFNXTFU-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccn1 ZINC001051172362 853537447 /nfs/dbraw/zinc/53/74/47/853537447.db2.gz HSUFPDPWFNXTFU-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051965088 853665929 /nfs/dbraw/zinc/66/59/29/853665929.db2.gz SUTUPEYNPDTUJE-HNNXBMFYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3)C2)CC1 ZINC001051971841 853668119 /nfs/dbraw/zinc/66/81/19/853668119.db2.gz ZWWHYYLQIYATOD-INIZCTEOSA-N 1 2 298.390 0.547 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026762 853677014 /nfs/dbraw/zinc/67/70/14/853677014.db2.gz SXUVJSBZNRHYKH-HNNXBMFYSA-N 1 2 286.379 0.142 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001052024738 853677708 /nfs/dbraw/zinc/67/77/08/853677708.db2.gz LJVKPBNTQHKHOF-STQMWFEESA-N 1 2 297.349 0.493 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001058321106 853825100 /nfs/dbraw/zinc/82/51/00/853825100.db2.gz SCMNJFXKGDTGND-GFCCVEGCSA-N 1 2 296.334 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069886958 853992262 /nfs/dbraw/zinc/99/22/62/853992262.db2.gz AGMHRJJEBIYBQW-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069886958 853992271 /nfs/dbraw/zinc/99/22/71/853992271.db2.gz AGMHRJJEBIYBQW-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001069885425 853992938 /nfs/dbraw/zinc/99/29/38/853992938.db2.gz HLXTUPWWRGXAON-NEPJUHHUSA-N 1 2 261.329 0.053 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001069885425 853992945 /nfs/dbraw/zinc/99/29/45/853992945.db2.gz HLXTUPWWRGXAON-NEPJUHHUSA-N 1 2 261.329 0.053 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](n2ccnn2)C1 ZINC001069894325 853994728 /nfs/dbraw/zinc/99/47/28/853994728.db2.gz PAFIFZNXYUBXSW-KGLIPLIRSA-N 1 2 299.334 0.468 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](n2ccnn2)C1 ZINC001069894325 853994730 /nfs/dbraw/zinc/99/47/30/853994730.db2.gz PAFIFZNXYUBXSW-KGLIPLIRSA-N 1 2 299.334 0.468 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](n2ccnn2)C1 ZINC001069889084 853994823 /nfs/dbraw/zinc/99/48/23/853994823.db2.gz FFADSDMSJDCBKX-MNOVXSKESA-N 1 2 281.335 0.554 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](n2ccnn2)C1 ZINC001069889084 853994828 /nfs/dbraw/zinc/99/48/28/853994828.db2.gz FFADSDMSJDCBKX-MNOVXSKESA-N 1 2 281.335 0.554 20 30 CCEDLO C/C=C(\C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070636767 854084421 /nfs/dbraw/zinc/08/44/21/854084421.db2.gz KVGNTQSFEVGEBH-UDLQBDOPSA-N 1 2 287.367 0.794 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C=C(C)C)CC1 ZINC001070934789 854105002 /nfs/dbraw/zinc/10/50/02/854105002.db2.gz OZSQVDVCQYPJCG-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C=C(C)C)CC1 ZINC001070934789 854105006 /nfs/dbraw/zinc/10/50/06/854105006.db2.gz OZSQVDVCQYPJCG-UHFFFAOYSA-N 1 2 279.384 0.789 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071806557 854297092 /nfs/dbraw/zinc/29/70/92/854297092.db2.gz FDKYQJRHJDJMBT-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071806557 854297103 /nfs/dbraw/zinc/29/71/03/854297103.db2.gz FDKYQJRHJDJMBT-RYUDHWBXSA-N 1 2 279.384 0.797 20 30 CCEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001073757521 854639994 /nfs/dbraw/zinc/63/99/94/854639994.db2.gz FQKDOLOFYGSZAB-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001073757521 854639998 /nfs/dbraw/zinc/63/99/98/854639998.db2.gz FQKDOLOFYGSZAB-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO N#CCNC1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391419 855159527 /nfs/dbraw/zinc/15/95/27/855159527.db2.gz KTAYDDKMCJJGLB-UHFFFAOYSA-N 1 2 261.329 0.350 20 30 CCEDLO N#CCNC1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391419 855159533 /nfs/dbraw/zinc/15/95/33/855159533.db2.gz KTAYDDKMCJJGLB-UHFFFAOYSA-N 1 2 261.329 0.350 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001100734742 855215540 /nfs/dbraw/zinc/21/55/40/855215540.db2.gz UOBGLKOMWPDWPT-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C ZINC001102451200 855435198 /nfs/dbraw/zinc/43/51/98/855435198.db2.gz PDMMLKOZEMNZOP-YNEHKIRRSA-N 1 2 289.383 0.796 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778975 855529401 /nfs/dbraw/zinc/52/94/01/855529401.db2.gz GAUNCYRPBKZZDA-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC1CCSCC1 ZINC001119359304 856650310 /nfs/dbraw/zinc/65/03/10/856650310.db2.gz RGDWYUKKDYWUGC-UHFFFAOYSA-N 1 2 267.358 0.887 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001119677409 856831483 /nfs/dbraw/zinc/83/14/83/856831483.db2.gz GTMYXXFCQHITSZ-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ncnn2CCF)CC1 ZINC001392890563 912235501 /nfs/dbraw/zinc/23/55/01/912235501.db2.gz UJNCLDLHLTWJRZ-JTQLQIEISA-N 1 2 294.334 0.146 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CCc1nccn1C ZINC001323273752 912235900 /nfs/dbraw/zinc/23/59/00/912235900.db2.gz SUXZOKPTVSGDCS-LBPRGKRZSA-N 1 2 260.341 0.176 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CCc1nccn1C ZINC001323273752 912235916 /nfs/dbraw/zinc/23/59/16/912235916.db2.gz SUXZOKPTVSGDCS-LBPRGKRZSA-N 1 2 260.341 0.176 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001323287199 912242741 /nfs/dbraw/zinc/24/27/41/912242741.db2.gz MGZVRJZPHSVSPI-SNVBAGLBSA-N 1 2 295.364 0.303 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001323287199 912242760 /nfs/dbraw/zinc/24/27/60/912242760.db2.gz MGZVRJZPHSVSPI-SNVBAGLBSA-N 1 2 295.364 0.303 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(C)on1 ZINC001323353489 912293032 /nfs/dbraw/zinc/29/30/32/912293032.db2.gz SNJCJWQFCDLNDP-JTQLQIEISA-N 1 2 278.312 0.298 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(C)on1 ZINC001323353489 912293049 /nfs/dbraw/zinc/29/30/49/912293049.db2.gz SNJCJWQFCDLNDP-JTQLQIEISA-N 1 2 278.312 0.298 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CSC(C)C)CC2)C1 ZINC001328114369 914976246 /nfs/dbraw/zinc/97/62/46/914976246.db2.gz QPIJYQCTMRPABD-UHFFFAOYSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CCOCCC(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001323920420 912584690 /nfs/dbraw/zinc/58/46/90/912584690.db2.gz DOOMCVSSAFREEC-UHFFFAOYSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2ccnn2C)C1 ZINC001323934958 912590098 /nfs/dbraw/zinc/59/00/98/912590098.db2.gz XUDRRGRWTJILQZ-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC001325229380 913291990 /nfs/dbraw/zinc/29/19/90/913291990.db2.gz ZDGDEBGIUXXMTN-VIFPVBQESA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC001325229380 913292004 /nfs/dbraw/zinc/29/20/04/913292004.db2.gz ZDGDEBGIUXXMTN-VIFPVBQESA-N 1 2 266.263 0.942 20 30 CCEDLO C=C(Cl)CN[C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394617322 913315251 /nfs/dbraw/zinc/31/52/51/913315251.db2.gz LBLPIRCUBSKTMM-NSHDSACASA-N 1 2 286.763 0.011 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327733 891447335 /nfs/dbraw/zinc/44/73/35/891447335.db2.gz KUKNZUPWFPNQSR-LBPRGKRZSA-N 1 2 295.358 0.209 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327733 891447346 /nfs/dbraw/zinc/44/73/46/891447346.db2.gz KUKNZUPWFPNQSR-LBPRGKRZSA-N 1 2 295.358 0.209 20 30 CCEDLO C#CCCS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000289302021 891542908 /nfs/dbraw/zinc/54/29/08/891542908.db2.gz ZRSDUTQRCSKJTP-UHFFFAOYSA-N 1 2 255.343 0.558 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001480906485 891736126 /nfs/dbraw/zinc/73/61/26/891736126.db2.gz AFHXZVJVVQQJAS-CQSZACIVSA-N 1 2 280.372 0.276 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001480906485 891736133 /nfs/dbraw/zinc/73/61/33/891736133.db2.gz AFHXZVJVVQQJAS-CQSZACIVSA-N 1 2 280.372 0.276 20 30 CCEDLO C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325822204 913592760 /nfs/dbraw/zinc/59/27/60/913592760.db2.gz XTXFFSQEUOPHAH-UKRRQHHQSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001325822204 913592774 /nfs/dbraw/zinc/59/27/74/913592774.db2.gz XTXFFSQEUOPHAH-UKRRQHHQSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325822204 913592809 /nfs/dbraw/zinc/59/28/09/913592809.db2.gz XTXFFSQEUOPHAH-UKRRQHHQSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325822204 913592824 /nfs/dbraw/zinc/59/28/24/913592824.db2.gz XTXFFSQEUOPHAH-UKRRQHHQSA-N 1 2 281.400 0.210 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(OC)no1 ZINC001418540568 891819347 /nfs/dbraw/zinc/81/93/47/891819347.db2.gz MGWRIDJGTMQXLC-SNVBAGLBSA-N 1 2 280.328 0.781 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(OC)no1 ZINC001418540568 891819354 /nfs/dbraw/zinc/81/93/54/891819354.db2.gz MGWRIDJGTMQXLC-SNVBAGLBSA-N 1 2 280.328 0.781 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351205894 891884901 /nfs/dbraw/zinc/88/49/01/891884901.db2.gz PLIZFQPDJSUCQN-TUAOUCFPSA-N 1 2 270.377 0.426 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001351205894 891884918 /nfs/dbraw/zinc/88/49/18/891884918.db2.gz PLIZFQPDJSUCQN-TUAOUCFPSA-N 1 2 270.377 0.426 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001395428204 913613919 /nfs/dbraw/zinc/61/39/19/913613919.db2.gz TWKNVSKLCDXTMA-IJLUTSLNSA-N 1 2 289.339 0.054 20 30 CCEDLO C=CCn1cc(CNC(=O)Cc2c[nH+]cn2C)nn1 ZINC001325891840 913627814 /nfs/dbraw/zinc/62/78/14/913627814.db2.gz PDJWKHGMDKQHKY-UHFFFAOYSA-N 1 2 260.301 0.057 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCNC(=O)C2CC2)CC1 ZINC001283813850 892431964 /nfs/dbraw/zinc/43/19/64/892431964.db2.gz QQMLOWHOEAERTD-LBPRGKRZSA-N 1 2 292.383 0.207 20 30 CCEDLO CN(CC#N)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481495237 892744622 /nfs/dbraw/zinc/74/46/22/892744622.db2.gz HVZXVIJHCDJPIQ-CYBMUJFWSA-N 1 2 275.356 0.577 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CN(C)CC#N)C1 ZINC001481503362 892752233 /nfs/dbraw/zinc/75/22/33/892752233.db2.gz QJORZVYQYQKNBI-LBPRGKRZSA-N 1 2 275.356 0.565 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001481536539 892782599 /nfs/dbraw/zinc/78/25/99/892782599.db2.gz CNIAZUOJMCADDP-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001481536539 892782613 /nfs/dbraw/zinc/78/26/13/892782613.db2.gz CNIAZUOJMCADDP-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCCCCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001481555293 892821219 /nfs/dbraw/zinc/82/12/19/892821219.db2.gz OTZWHWSCPZIVMS-UHFFFAOYSA-N 1 2 274.368 0.877 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](CCOCC(C)C)C1 ZINC001481556014 892829172 /nfs/dbraw/zinc/82/91/72/892829172.db2.gz QKMBGLAQUUYNNG-HNNXBMFYSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2(C)CCC2)C1 ZINC001481638976 892943822 /nfs/dbraw/zinc/94/38/22/892943822.db2.gz OAABLILOULRDLH-LBPRGKRZSA-N 1 2 291.395 0.363 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCOC ZINC001481663890 892979151 /nfs/dbraw/zinc/97/91/51/892979151.db2.gz FFRKFHIFVXTGRJ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCOC ZINC001481663890 892979157 /nfs/dbraw/zinc/97/91/57/892979157.db2.gz FFRKFHIFVXTGRJ-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCCOCC ZINC001481682869 892994460 /nfs/dbraw/zinc/99/44/60/892994460.db2.gz ITWLCVYXTGLYHP-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCCOCC ZINC001481682869 892994469 /nfs/dbraw/zinc/99/44/69/892994469.db2.gz ITWLCVYXTGLYHP-KKUMJFAQSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481761556 893125717 /nfs/dbraw/zinc/12/57/17/893125717.db2.gz MPJCJQYRHSBJAP-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481761556 893125725 /nfs/dbraw/zinc/12/57/25/893125725.db2.gz MPJCJQYRHSBJAP-CHWSQXEVSA-N 1 2 297.399 0.376 20 30 CCEDLO COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191154 893481222 /nfs/dbraw/zinc/48/12/22/893481222.db2.gz AFTJEIGWVALJQU-KBPBESRZSA-N 1 2 296.411 0.888 20 30 CCEDLO COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191154 893481236 /nfs/dbraw/zinc/48/12/36/893481236.db2.gz AFTJEIGWVALJQU-KBPBESRZSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CCN1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001482201503 893529854 /nfs/dbraw/zinc/52/98/54/893529854.db2.gz YBSHEXJVILGKNE-ZIAGYGMSSA-N 1 2 290.367 0.284 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001269787250 893644801 /nfs/dbraw/zinc/64/48/01/893644801.db2.gz GXEAPYDGGORQNV-GFCCVEGCSA-N 1 2 252.358 0.823 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001482284536 893770293 /nfs/dbraw/zinc/77/02/93/893770293.db2.gz OSRZSSQIYNDNIM-MNOVXSKESA-N 1 2 296.396 0.513 20 30 CCEDLO CC(C)C[C@@H](CNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001482390388 893944770 /nfs/dbraw/zinc/94/47/70/893944770.db2.gz ITXQPOHOFAZBJD-ZDUSSCGKSA-N 1 2 277.372 0.917 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482732813 894533025 /nfs/dbraw/zinc/53/30/25/894533025.db2.gz FZVBGZIHGRVSSX-LLVKDONJSA-N 1 2 296.371 0.547 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C/C[NH2+][C@H](C)c1nnnn1C ZINC001483014503 894801513 /nfs/dbraw/zinc/80/15/13/894801513.db2.gz RQEMJLLWQWQZLQ-BTDICHCPSA-N 1 2 292.387 0.889 20 30 CCEDLO COCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001483621330 895699455 /nfs/dbraw/zinc/69/94/55/895699455.db2.gz GNAWFNGQZXSIJM-JTQLQIEISA-N 1 2 279.365 0.957 20 30 CCEDLO COCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001483621330 895699465 /nfs/dbraw/zinc/69/94/65/895699465.db2.gz GNAWFNGQZXSIJM-JTQLQIEISA-N 1 2 279.365 0.957 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)COC ZINC001483622439 895709993 /nfs/dbraw/zinc/70/99/93/895709993.db2.gz MKYDKAGLMCHBAP-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CNC(=O)COC ZINC001483622439 895710006 /nfs/dbraw/zinc/71/00/06/895710006.db2.gz MKYDKAGLMCHBAP-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001483646555 895789573 /nfs/dbraw/zinc/78/95/73/895789573.db2.gz BZVZJTHNWZELKW-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001483646555 895789590 /nfs/dbraw/zinc/78/95/90/895789590.db2.gz BZVZJTHNWZELKW-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001483682782 895847255 /nfs/dbraw/zinc/84/72/55/895847255.db2.gz VCQDFGAABPTHSJ-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001483682782 895847262 /nfs/dbraw/zinc/84/72/62/895847262.db2.gz VCQDFGAABPTHSJ-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)SC)C1 ZINC001484031904 896157393 /nfs/dbraw/zinc/15/73/93/896157393.db2.gz FYULXLALBAPOLG-FZMZJTMJSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)SC)C1 ZINC001484031904 896157401 /nfs/dbraw/zinc/15/74/01/896157401.db2.gz FYULXLALBAPOLG-FZMZJTMJSA-N 1 2 299.440 0.621 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001484265548 896294065 /nfs/dbraw/zinc/29/40/65/896294065.db2.gz ZKHJOXRBLFUURA-DOMZBBRYSA-N 1 2 299.374 0.996 20 30 CCEDLO C=CCCC(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001484265369 896294953 /nfs/dbraw/zinc/29/49/53/896294953.db2.gz ZWCFFODJKYWNND-LBPRGKRZSA-N 1 2 270.373 0.277 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001484309597 896340138 /nfs/dbraw/zinc/34/01/38/896340138.db2.gz HKPJUHZZZTZGDT-UHFFFAOYSA-N 1 2 287.363 0.119 20 30 CCEDLO C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001484439125 896406589 /nfs/dbraw/zinc/40/65/89/896406589.db2.gz BKFUGCDLIUDNBC-HOCLYGCPSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001484439125 896406598 /nfs/dbraw/zinc/40/65/98/896406598.db2.gz BKFUGCDLIUDNBC-HOCLYGCPSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CCN1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484439125 896406607 /nfs/dbraw/zinc/40/66/07/896406607.db2.gz BKFUGCDLIUDNBC-HOCLYGCPSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CCN1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484439125 896406616 /nfs/dbraw/zinc/40/66/16/896406616.db2.gz BKFUGCDLIUDNBC-HOCLYGCPSA-N 1 2 295.427 0.600 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001484593057 896478529 /nfs/dbraw/zinc/47/85/29/896478529.db2.gz UFVCMRGTAXHPGY-AWEZNQCLSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001484593057 896478533 /nfs/dbraw/zinc/47/85/33/896478533.db2.gz UFVCMRGTAXHPGY-AWEZNQCLSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001484605158 896495200 /nfs/dbraw/zinc/49/52/00/896495200.db2.gz YQSWQOCZTIEDDH-KGLIPLIRSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001484605158 896495208 /nfs/dbraw/zinc/49/52/08/896495208.db2.gz YQSWQOCZTIEDDH-KGLIPLIRSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)OC)O2 ZINC001484781610 896596614 /nfs/dbraw/zinc/59/66/14/896596614.db2.gz MNGRMKQFUIXJMQ-RYUDHWBXSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001326671333 914089481 /nfs/dbraw/zinc/08/94/81/914089481.db2.gz XBFMONVDXZGDNF-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001326671333 914089495 /nfs/dbraw/zinc/08/94/95/914089495.db2.gz XBFMONVDXZGDNF-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCCOC)CC2)C1 ZINC001485007977 896715515 /nfs/dbraw/zinc/71/55/15/896715515.db2.gz QAASYGVVEXYXJV-UHFFFAOYSA-N 1 2 294.395 0.740 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCCOC)CC2)C1 ZINC001485007977 896715524 /nfs/dbraw/zinc/71/55/24/896715524.db2.gz QAASYGVVEXYXJV-UHFFFAOYSA-N 1 2 294.395 0.740 20 30 CCEDLO Cc1cc(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)nn1C ZINC001485496556 897083973 /nfs/dbraw/zinc/08/39/73/897083973.db2.gz JHPMHYYAANPJQG-ZYHUDNBSSA-N 1 2 289.383 0.825 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1ccncc1C#N ZINC001107868928 897398481 /nfs/dbraw/zinc/39/84/81/897398481.db2.gz DCWGVWGIHFOWRA-SNVBAGLBSA-N 1 2 298.350 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1C ZINC001032398987 897442572 /nfs/dbraw/zinc/44/25/72/897442572.db2.gz VNPKWYBRFLFZOQ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1C ZINC001032398987 897442583 /nfs/dbraw/zinc/44/25/83/897442583.db2.gz VNPKWYBRFLFZOQ-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1C ZINC001032399900 897448369 /nfs/dbraw/zinc/44/83/69/897448369.db2.gz MDYDGGHNTPNKTG-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1C ZINC001032399900 897448375 /nfs/dbraw/zinc/44/83/75/897448375.db2.gz MDYDGGHNTPNKTG-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107899082 897464197 /nfs/dbraw/zinc/46/41/97/897464197.db2.gz BSWPWVNUAPHYSG-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939471 897527983 /nfs/dbraw/zinc/52/79/83/897527983.db2.gz CNIVEVCNXJZEDB-DZGCQCFKSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939471 897527993 /nfs/dbraw/zinc/52/79/93/897527993.db2.gz CNIVEVCNXJZEDB-DZGCQCFKSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nn[nH]c21 ZINC001032418708 897530384 /nfs/dbraw/zinc/53/03/84/897530384.db2.gz IQSVJINRRPLTFF-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nn[nH]c21 ZINC001032418708 897530391 /nfs/dbraw/zinc/53/03/91/897530391.db2.gz IQSVJINRRPLTFF-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001032455884 897593937 /nfs/dbraw/zinc/59/39/37/897593937.db2.gz FBLPKWFMUBLCIP-NNYUYHANSA-N 1 2 271.324 0.322 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001032455884 897593956 /nfs/dbraw/zinc/59/39/56/897593956.db2.gz FBLPKWFMUBLCIP-NNYUYHANSA-N 1 2 271.324 0.322 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(CC)CCNC1=O ZINC001032455652 897595034 /nfs/dbraw/zinc/59/50/34/897595034.db2.gz VBWBPMRUNLLJEH-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(CC)CCNC1=O ZINC001032455652 897595049 /nfs/dbraw/zinc/59/50/49/897595049.db2.gz VBWBPMRUNLLJEH-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@H+](Cc3csnn3)C2)C1=O ZINC001272780314 897662518 /nfs/dbraw/zinc/66/25/18/897662518.db2.gz FLZBXQRASXFJOJ-CYBMUJFWSA-N 1 2 276.365 0.596 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@@H+](Cc3csnn3)C2)C1=O ZINC001272780314 897662524 /nfs/dbraw/zinc/66/25/24/897662524.db2.gz FLZBXQRASXFJOJ-CYBMUJFWSA-N 1 2 276.365 0.596 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)c(OC)co1 ZINC001032521835 897702802 /nfs/dbraw/zinc/70/28/02/897702802.db2.gz RYQAFGINHITIKG-QWRGUYRKSA-N 1 2 290.319 0.733 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)c(OC)co1 ZINC001032521835 897702818 /nfs/dbraw/zinc/70/28/18/897702818.db2.gz RYQAFGINHITIKG-QWRGUYRKSA-N 1 2 290.319 0.733 20 30 CCEDLO CN(C)[C@@H](C(=O)n1ncc(C#N)c1N)c1c[nH+]cn1C ZINC001168599747 897740883 /nfs/dbraw/zinc/74/08/83/897740883.db2.gz WALMDQUCQCNEKF-SNVBAGLBSA-N 1 2 273.300 0.014 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)on1 ZINC001032668538 897919513 /nfs/dbraw/zinc/91/95/13/897919513.db2.gz GCHQYDCKNHCBCC-RYUDHWBXSA-N 1 2 289.335 0.743 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)on1 ZINC001032668538 897919518 /nfs/dbraw/zinc/91/95/18/897919518.db2.gz GCHQYDCKNHCBCC-RYUDHWBXSA-N 1 2 289.335 0.743 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncc2ccccc21 ZINC001032688635 897923427 /nfs/dbraw/zinc/92/34/27/897923427.db2.gz GIUIOTJNQZJCLZ-GJZGRUSLSA-N 1 2 294.358 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncc2ccccc21 ZINC001032688635 897923431 /nfs/dbraw/zinc/92/34/31/897923431.db2.gz GIUIOTJNQZJCLZ-GJZGRUSLSA-N 1 2 294.358 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCOCC1 ZINC001032683947 897928353 /nfs/dbraw/zinc/92/83/53/897928353.db2.gz XPHCPOSDWSTAIJ-KBPBESRZSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCOCC1 ZINC001032683947 897928361 /nfs/dbraw/zinc/92/83/61/897928361.db2.gz XPHCPOSDWSTAIJ-KBPBESRZSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001032727233 898018125 /nfs/dbraw/zinc/01/81/25/898018125.db2.gz CXGOYFPHLZLZEA-KBPBESRZSA-N 1 2 272.352 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001032727233 898018131 /nfs/dbraw/zinc/01/81/31/898018131.db2.gz CXGOYFPHLZLZEA-KBPBESRZSA-N 1 2 272.352 0.996 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2nccc(C)n2n1 ZINC001032766113 898144885 /nfs/dbraw/zinc/14/48/85/898144885.db2.gz QYGDOUJXBWWVEB-RYUDHWBXSA-N 1 2 298.350 0.517 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2nccc(C)n2n1 ZINC001032766113 898144896 /nfs/dbraw/zinc/14/48/96/898144896.db2.gz QYGDOUJXBWWVEB-RYUDHWBXSA-N 1 2 298.350 0.517 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001078024812 898188594 /nfs/dbraw/zinc/18/85/94/898188594.db2.gz HLFAEDBOAVQBSV-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001078024812 898188603 /nfs/dbraw/zinc/18/86/03/898188603.db2.gz HLFAEDBOAVQBSV-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001078072276 898215648 /nfs/dbraw/zinc/21/56/48/898215648.db2.gz LLLNOJNLCQGEIU-HUUCEWRRSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001078072276 898215658 /nfs/dbraw/zinc/21/56/58/898215658.db2.gz LLLNOJNLCQGEIU-HUUCEWRRSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2ccccc21 ZINC001032789487 898224143 /nfs/dbraw/zinc/22/41/43/898224143.db2.gz TZDFAOXSSPSFON-HOTGVXAUSA-N 1 2 295.386 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2ccccc21 ZINC001032789487 898224159 /nfs/dbraw/zinc/22/41/59/898224159.db2.gz TZDFAOXSSPSFON-HOTGVXAUSA-N 1 2 295.386 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001078261877 898327767 /nfs/dbraw/zinc/32/77/67/898327767.db2.gz JCTNRNRVBWWDDB-ZYHUDNBSSA-N 1 2 291.376 0.429 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001078261877 898327782 /nfs/dbraw/zinc/32/77/82/898327782.db2.gz JCTNRNRVBWWDDB-ZYHUDNBSSA-N 1 2 291.376 0.429 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001078283346 898330338 /nfs/dbraw/zinc/33/03/38/898330338.db2.gz QQAQWFPDHGQXDX-NXEZZACHSA-N 1 2 297.380 0.250 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001078283346 898330351 /nfs/dbraw/zinc/33/03/51/898330351.db2.gz QQAQWFPDHGQXDX-NXEZZACHSA-N 1 2 297.380 0.250 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCCF)CCC[N@@H+]1CC(=O)NCC#N ZINC001486178374 898699731 /nfs/dbraw/zinc/69/97/31/898699731.db2.gz CPYUHZVXNZQHNL-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCCF)CCC[N@H+]1CC(=O)NCC#N ZINC001486178374 898699738 /nfs/dbraw/zinc/69/97/38/898699738.db2.gz CPYUHZVXNZQHNL-NEPJUHHUSA-N 1 2 298.362 0.345 20 30 CCEDLO C=CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001326959396 914296279 /nfs/dbraw/zinc/29/62/79/914296279.db2.gz XEFCAQVXCYKUAR-LBPRGKRZSA-N 1 2 296.396 0.821 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490531063 900647094 /nfs/dbraw/zinc/64/70/94/900647094.db2.gz LFWSUDFHDKKONW-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490531063 900647101 /nfs/dbraw/zinc/64/71/01/900647101.db2.gz LFWSUDFHDKKONW-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CCC)OC)C1 ZINC001490552760 900661666 /nfs/dbraw/zinc/66/16/66/900661666.db2.gz FYUAFDYJPXQGNU-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)OC)C1 ZINC001490552760 900661671 /nfs/dbraw/zinc/66/16/71/900661671.db2.gz FYUAFDYJPXQGNU-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001280676823 900910457 /nfs/dbraw/zinc/91/04/57/900910457.db2.gz COXQFTWGMZMSJX-GJZGRUSLSA-N 1 2 293.411 0.121 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(COC)CC1)CO2 ZINC001327395657 914519606 /nfs/dbraw/zinc/51/96/06/914519606.db2.gz ABIRAMOSFAZDCR-CYBMUJFWSA-N 1 2 294.395 0.949 20 30 CCEDLO C[C@@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)n1cnc(C#N)n1 ZINC001412677038 901933747 /nfs/dbraw/zinc/93/37/47/901933747.db2.gz JQPWTKAWWHCAFM-VIFPVBQESA-N 1 2 299.338 0.629 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cnc(C#N)c(C#N)n1 ZINC001412869014 902313436 /nfs/dbraw/zinc/31/34/36/902313436.db2.gz JOPGLRRKVRYPHK-JTQLQIEISA-N 1 2 272.312 0.353 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001331952290 904033965 /nfs/dbraw/zinc/03/39/65/904033965.db2.gz XKUBPRHPXGSCBT-QWHCGFSZSA-N 1 2 268.357 0.859 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C#N)cc1 ZINC001258089147 904044119 /nfs/dbraw/zinc/04/41/19/904044119.db2.gz AYFBHMQDZGPECP-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C#N)cc1 ZINC001258089147 904044135 /nfs/dbraw/zinc/04/41/35/904044135.db2.gz AYFBHMQDZGPECP-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCOC)C2)CC1 ZINC001280678528 904135901 /nfs/dbraw/zinc/13/59/01/904135901.db2.gz OEXBMYMWZFFZFC-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001398693832 914787789 /nfs/dbraw/zinc/78/77/89/914787789.db2.gz XJRJTNRNSFLJNX-WDEREUQCSA-N 1 2 277.328 0.557 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001398693832 914787799 /nfs/dbraw/zinc/78/77/99/914787799.db2.gz XJRJTNRNSFLJNX-WDEREUQCSA-N 1 2 277.328 0.557 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001282128281 904416901 /nfs/dbraw/zinc/41/69/01/904416901.db2.gz IPKQIWGKAXSMNN-QWRGUYRKSA-N 1 2 294.355 0.401 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@H](C)OC)C1 ZINC001282510415 904499509 /nfs/dbraw/zinc/49/95/09/904499509.db2.gz WSDLFHXMZQDDHR-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C(C)C)C1 ZINC001282690284 904515797 /nfs/dbraw/zinc/51/57/97/904515797.db2.gz RGBYJRKLRMHZOY-NSHDSACASA-N 1 2 267.373 0.381 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC001377840118 905180696 /nfs/dbraw/zinc/18/06/96/905180696.db2.gz HKGHJUYZIXUSFR-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001377840118 905180700 /nfs/dbraw/zinc/18/07/00/905180700.db2.gz HKGHJUYZIXUSFR-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001284287185 905238501 /nfs/dbraw/zinc/23/85/01/905238501.db2.gz SLCUNGOHDWYEKJ-LBPRGKRZSA-N 1 2 290.367 0.387 20 30 CCEDLO C=CCCC(=O)NC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001285681702 905713789 /nfs/dbraw/zinc/71/37/89/905713789.db2.gz RXLZOZQNJXYAIT-GFCCVEGCSA-N 1 2 292.383 0.940 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001292573254 906283119 /nfs/dbraw/zinc/28/31/19/906283119.db2.gz QZVJUYDPDGHBPN-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001292573254 906283133 /nfs/dbraw/zinc/28/31/33/906283133.db2.gz QZVJUYDPDGHBPN-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO O=C(C#CC1CC1)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001295201817 906694617 /nfs/dbraw/zinc/69/46/17/906694617.db2.gz XJPGLRRSEIVPIB-TXEJJXNPSA-N 1 2 286.335 0.129 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001295471320 906743208 /nfs/dbraw/zinc/74/32/08/906743208.db2.gz MFPUUYRHLBBBIJ-GFCCVEGCSA-N 1 2 276.340 0.308 20 30 CCEDLO CC(C)C#CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296252664 906883372 /nfs/dbraw/zinc/88/33/72/906883372.db2.gz CXTZDQIGCWVRBY-UHFFFAOYSA-N 1 2 276.340 0.186 20 30 CCEDLO C=CCCCC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001297110939 907019789 /nfs/dbraw/zinc/01/97/89/907019789.db2.gz URHLMHNIOKWAMZ-UHFFFAOYSA-N 1 2 290.367 0.944 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001381534241 907278701 /nfs/dbraw/zinc/27/87/01/907278701.db2.gz SJJAYYLRHDRULR-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001381534241 907278714 /nfs/dbraw/zinc/27/87/14/907278714.db2.gz SJJAYYLRHDRULR-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001381582053 907309666 /nfs/dbraw/zinc/30/96/66/907309666.db2.gz IFRJTADDCOBOKM-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001381582053 907309683 /nfs/dbraw/zinc/30/96/83/907309683.db2.gz IFRJTADDCOBOKM-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=CC(C)(C)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001491742547 907544256 /nfs/dbraw/zinc/54/42/56/907544256.db2.gz XCTZSUNVBBQWRU-UHFFFAOYSA-N 1 2 278.356 0.718 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001492428386 907923180 /nfs/dbraw/zinc/92/31/80/907923180.db2.gz MADVPVYQNPERKW-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001492428386 907923190 /nfs/dbraw/zinc/92/31/90/907923190.db2.gz MADVPVYQNPERKW-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001316937708 908854617 /nfs/dbraw/zinc/85/46/17/908854617.db2.gz KJTYYYIWYMBVFO-SNVBAGLBSA-N 1 2 259.350 0.793 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001316937708 908854631 /nfs/dbraw/zinc/85/46/31/908854631.db2.gz KJTYYYIWYMBVFO-SNVBAGLBSA-N 1 2 259.350 0.793 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001316968251 908878881 /nfs/dbraw/zinc/87/88/81/908878881.db2.gz CBSSKBRVPRWEJK-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001316968251 908878898 /nfs/dbraw/zinc/87/88/98/908878898.db2.gz CBSSKBRVPRWEJK-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387290515 909095989 /nfs/dbraw/zinc/09/59/89/909095989.db2.gz KYQOFSHOVGZLLM-WDEREUQCSA-N 1 2 289.339 0.077 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001387298596 909097112 /nfs/dbraw/zinc/09/71/12/909097112.db2.gz GVABOXSEOJUQCT-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001317464804 909242564 /nfs/dbraw/zinc/24/25/64/909242564.db2.gz AEGDPGWWLFILRN-ZDUSSCGKSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001317464804 909242582 /nfs/dbraw/zinc/24/25/82/909242582.db2.gz AEGDPGWWLFILRN-ZDUSSCGKSA-N 1 2 293.411 0.610 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCCN1CC#N ZINC001317501137 909271803 /nfs/dbraw/zinc/27/18/03/909271803.db2.gz JUOXEXZRMQQNML-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001317574190 909364165 /nfs/dbraw/zinc/36/41/65/909364165.db2.gz VUTMVIZAACDSOX-SECBINFHSA-N 1 2 277.328 0.655 20 30 CCEDLO Cc1cocc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317819911 909511578 /nfs/dbraw/zinc/51/15/78/909511578.db2.gz KKEKZWJMNBAADB-UHFFFAOYSA-N 1 2 290.367 0.801 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317965007 909556787 /nfs/dbraw/zinc/55/67/87/909556787.db2.gz ZZOZPISMLKAAFM-LBPRGKRZSA-N 1 2 265.357 0.246 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317965007 909556801 /nfs/dbraw/zinc/55/68/01/909556801.db2.gz ZZOZPISMLKAAFM-LBPRGKRZSA-N 1 2 265.357 0.246 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)COCc2cccnc2)C1 ZINC001318081433 909613714 /nfs/dbraw/zinc/61/37/14/909613714.db2.gz JUUYOOSPZKZNMZ-UHFFFAOYSA-N 1 2 275.352 0.975 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001318118323 909633025 /nfs/dbraw/zinc/63/30/25/909633025.db2.gz UMXVNHVDKXKFLF-OAHLLOKOSA-N 1 2 293.367 0.858 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)C1 ZINC001318261139 909680674 /nfs/dbraw/zinc/68/06/74/909680674.db2.gz SWEFDCDHOCXESJ-JTQLQIEISA-N 1 2 294.380 0.249 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)C1 ZINC001318261139 909680685 /nfs/dbraw/zinc/68/06/85/909680685.db2.gz SWEFDCDHOCXESJ-JTQLQIEISA-N 1 2 294.380 0.249 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccoc3)n2C)CC1 ZINC001338582884 921516742 /nfs/dbraw/zinc/51/67/42/921516742.db2.gz NDKNDXYVLLKKCZ-UHFFFAOYSA-N 1 2 285.351 0.754 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001318344853 909716739 /nfs/dbraw/zinc/71/67/39/909716739.db2.gz LSVAKTAFKKZFSF-XJKCOSOUSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001318344853 909716751 /nfs/dbraw/zinc/71/67/51/909716751.db2.gz LSVAKTAFKKZFSF-XJKCOSOUSA-N 1 2 289.379 0.117 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001318376920 909727646 /nfs/dbraw/zinc/72/76/46/909727646.db2.gz VWZQSDUKIDPTPZ-ZJUUUORDSA-N 1 2 289.326 0.475 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001318376920 909727652 /nfs/dbraw/zinc/72/76/52/909727652.db2.gz VWZQSDUKIDPTPZ-ZJUUUORDSA-N 1 2 289.326 0.475 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1csnn1 ZINC001318506470 909785951 /nfs/dbraw/zinc/78/59/51/909785951.db2.gz KGEJJNNHHREVHI-IUCAKERBSA-N 1 2 267.358 0.682 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)[C@H](O)CC)n2C)CC1 ZINC001338696486 921545293 /nfs/dbraw/zinc/54/52/93/921545293.db2.gz KLDODZDZTKMUIN-CHWSQXEVSA-N 1 2 291.399 0.445 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](CC=C)CCO1 ZINC001319304901 910086543 /nfs/dbraw/zinc/08/65/43/910086543.db2.gz JXSGANCDANAXFG-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](CC=C)CCO1 ZINC001319304901 910086558 /nfs/dbraw/zinc/08/65/58/910086558.db2.gz JXSGANCDANAXFG-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](CC=C)CCO1 ZINC001319304902 910088275 /nfs/dbraw/zinc/08/82/75/910088275.db2.gz JXSGANCDANAXFG-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](CC=C)CCO1 ZINC001319304902 910088287 /nfs/dbraw/zinc/08/82/87/910088287.db2.gz JXSGANCDANAXFG-ZDUSSCGKSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1C[N@H+](CC(=C)C)CCO1 ZINC001319312066 910093261 /nfs/dbraw/zinc/09/32/61/910093261.db2.gz YPABTNIMAJGZLY-CQSZACIVSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001319312066 910093273 /nfs/dbraw/zinc/09/32/73/910093273.db2.gz YPABTNIMAJGZLY-CQSZACIVSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001319331768 910102305 /nfs/dbraw/zinc/10/23/05/910102305.db2.gz IBJMGLGCDMSWQI-CYBMUJFWSA-N 1 2 295.408 0.997 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001319331768 910102316 /nfs/dbraw/zinc/10/23/16/910102316.db2.gz IBJMGLGCDMSWQI-CYBMUJFWSA-N 1 2 295.408 0.997 20 30 CCEDLO CC#CC[NH2+][C@@H](CNC(=O)c1[nH]ncc1F)C(C)C ZINC001319945925 910367738 /nfs/dbraw/zinc/36/77/38/910367738.db2.gz YCAWZVIUBOFAJB-NSHDSACASA-N 1 2 266.320 0.916 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001319991266 910401379 /nfs/dbraw/zinc/40/13/79/910401379.db2.gz HQNQLJIXGRVGSY-HNNXBMFYSA-N 1 2 294.399 0.637 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001319991266 910401396 /nfs/dbraw/zinc/40/13/96/910401396.db2.gz HQNQLJIXGRVGSY-HNNXBMFYSA-N 1 2 294.399 0.637 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1ccccc1C#N ZINC001390798613 910685129 /nfs/dbraw/zinc/68/51/29/910685129.db2.gz AGFAFPAYSCRFFG-ZSHCYNCHSA-N 1 2 299.374 0.999 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1ccccc1C#N ZINC001390798613 910685141 /nfs/dbraw/zinc/68/51/41/910685141.db2.gz AGFAFPAYSCRFFG-ZSHCYNCHSA-N 1 2 299.374 0.999 20 30 CCEDLO N#CCCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001320578655 910743220 /nfs/dbraw/zinc/74/32/20/910743220.db2.gz BRJQDRNRQNKJNO-SNVBAGLBSA-N 1 2 268.342 0.421 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001321054928 911048575 /nfs/dbraw/zinc/04/85/75/911048575.db2.gz PYGPUUWFYXIZHJ-ONEGZZNKSA-N 1 2 262.313 0.491 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)[C@H]1C ZINC001417851385 921637415 /nfs/dbraw/zinc/63/74/15/921637415.db2.gz YRKVWTQQVSHJJG-GDPRMGEGSA-N 1 2 287.791 0.829 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)[C@H]1C ZINC001417851385 921637427 /nfs/dbraw/zinc/63/74/27/921637427.db2.gz YRKVWTQQVSHJJG-GDPRMGEGSA-N 1 2 287.791 0.829 20 30 CCEDLO CCC(CC)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001391477832 911168050 /nfs/dbraw/zinc/16/80/50/911168050.db2.gz RFJFPJXHCLKUFR-NSHDSACASA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/CNCC#N ZINC001321284593 911204984 /nfs/dbraw/zinc/20/49/84/911204984.db2.gz GOZCWGLTJPWSOO-KXMPLOMGSA-N 1 2 261.329 0.374 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/CNCC#N ZINC001321284593 911204999 /nfs/dbraw/zinc/20/49/99/911204999.db2.gz GOZCWGLTJPWSOO-KXMPLOMGSA-N 1 2 261.329 0.374 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643777 912029634 /nfs/dbraw/zinc/02/96/34/912029634.db2.gz TXBRIINIGIWARV-VXGBXAGGSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643777 912029652 /nfs/dbraw/zinc/02/96/52/912029652.db2.gz TXBRIINIGIWARV-VXGBXAGGSA-N 1 2 289.383 0.925 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001323181336 912157717 /nfs/dbraw/zinc/15/77/17/912157717.db2.gz LQBSYACQFPBHTK-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001323181336 912157729 /nfs/dbraw/zinc/15/77/29/912157729.db2.gz LQBSYACQFPBHTK-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC(CO)(CO)C2)nn1 ZINC001328170901 915009997 /nfs/dbraw/zinc/00/99/97/915009997.db2.gz IPCQVHJMMMDXCW-UHFFFAOYSA-N 1 2 266.345 0.031 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC(CO)(CO)C2)nn1 ZINC001328170901 915010004 /nfs/dbraw/zinc/01/00/04/915010004.db2.gz IPCQVHJMMMDXCW-UHFFFAOYSA-N 1 2 266.345 0.031 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC001328288973 915080524 /nfs/dbraw/zinc/08/05/24/915080524.db2.gz JGCTVBHYLBFPLO-LLVKDONJSA-N 1 2 257.297 0.590 20 30 CCEDLO COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001329126932 915689126 /nfs/dbraw/zinc/68/91/26/915689126.db2.gz PXVFCKDJACHECE-NXEZZACHSA-N 1 2 282.319 0.295 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 ZINC001400687798 915864774 /nfs/dbraw/zinc/86/47/74/915864774.db2.gz CPJQGOBORQIPON-BXUZGUMPSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 ZINC001400687798 915864784 /nfs/dbraw/zinc/86/47/84/915864784.db2.gz CPJQGOBORQIPON-BXUZGUMPSA-N 1 2 287.367 0.977 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)OCC ZINC001330001610 916349310 /nfs/dbraw/zinc/34/93/10/916349310.db2.gz XRKAXKFAGNLRET-YPMHNXCESA-N 1 2 297.399 0.280 20 30 CCEDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CN(CC#N)C1 ZINC001330084389 916407784 /nfs/dbraw/zinc/40/77/84/916407784.db2.gz GCWBLBGZTYMULL-GFCCVEGCSA-N 1 2 275.356 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001330177541 916455204 /nfs/dbraw/zinc/45/52/04/916455204.db2.gz QGOADTBMLIMOMM-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001330177541 916455213 /nfs/dbraw/zinc/45/52/13/916455213.db2.gz QGOADTBMLIMOMM-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401743107 916548442 /nfs/dbraw/zinc/54/84/42/916548442.db2.gz ZJBVKOSAYGRHAC-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401743107 916548455 /nfs/dbraw/zinc/54/84/55/916548455.db2.gz ZJBVKOSAYGRHAC-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001401746323 916554520 /nfs/dbraw/zinc/55/45/20/916554520.db2.gz AUGLSIVMIVGJPQ-VHSXEESVSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001401746323 916554534 /nfs/dbraw/zinc/55/45/34/916554534.db2.gz AUGLSIVMIVGJPQ-VHSXEESVSA-N 1 2 290.795 0.622 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC001330805538 916885464 /nfs/dbraw/zinc/88/54/64/916885464.db2.gz KVUOUOOEEXWQOQ-JTQLQIEISA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001330805538 916885473 /nfs/dbraw/zinc/88/54/73/916885473.db2.gz KVUOUOOEEXWQOQ-JTQLQIEISA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCNCC#N ZINC001330968958 916996968 /nfs/dbraw/zinc/99/69/68/916996968.db2.gz CBYOYUKYCKUIBY-JTQLQIEISA-N 1 2 263.345 0.659 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCCN(C(N)=O)CC2)n1 ZINC001331039351 917041038 /nfs/dbraw/zinc/04/10/38/917041038.db2.gz GRZXSDBGZZIIBY-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(N)=O)CC2)n1 ZINC001331039351 917041046 /nfs/dbraw/zinc/04/10/46/917041046.db2.gz GRZXSDBGZZIIBY-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO C=C[C@@H](COC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001331961594 917759337 /nfs/dbraw/zinc/75/93/37/917759337.db2.gz WLADAUKIXJQOKB-ITKZLYELSA-N 1 2 254.330 0.192 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC=C)C(=O)OCC ZINC001332099099 917861708 /nfs/dbraw/zinc/86/17/08/917861708.db2.gz HRLUAHCYRCIBGZ-OLZOCXBDSA-N 1 2 278.352 0.708 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC=C)C(=O)OCC ZINC001332099099 917861716 /nfs/dbraw/zinc/86/17/16/917861716.db2.gz HRLUAHCYRCIBGZ-OLZOCXBDSA-N 1 2 278.352 0.708 20 30 CCEDLO N#C[C@@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001332368702 918097766 /nfs/dbraw/zinc/09/77/66/918097766.db2.gz ZXIYLPZSEDFHCO-JGVFFNPUSA-N 1 2 276.218 0.377 20 30 CCEDLO C=CCn1c(C)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC001332399219 918123355 /nfs/dbraw/zinc/12/33/55/918123355.db2.gz GWGNWBHZXNTBBI-UHFFFAOYSA-N 1 2 281.341 0.480 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC001333024452 918601317 /nfs/dbraw/zinc/60/13/17/918601317.db2.gz WPXYBQJVQWMZSI-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ncccc1C ZINC001333024452 918601326 /nfs/dbraw/zinc/60/13/26/918601326.db2.gz WPXYBQJVQWMZSI-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn(C(C)C)nn2)nn1 ZINC001333121330 918666594 /nfs/dbraw/zinc/66/65/94/918666594.db2.gz KJQQYWVGAPXLQJ-UHFFFAOYSA-N 1 2 273.344 0.612 20 30 CCEDLO C#CC[N@H+](CC(C)=O)C1CCN(CC(C)=O)CC1 ZINC001333465712 918929368 /nfs/dbraw/zinc/92/93/68/918929368.db2.gz AKJGRKRNSNWKQP-UHFFFAOYSA-N 1 2 250.342 0.564 20 30 CCEDLO C#CC[N@@H+](CC(C)=O)C1CCN(CC(C)=O)CC1 ZINC001333465712 918929381 /nfs/dbraw/zinc/92/93/81/918929381.db2.gz AKJGRKRNSNWKQP-UHFFFAOYSA-N 1 2 250.342 0.564 20 30 CCEDLO C#CCN(CC(C)=O)C1CC[NH+](CC(C)=O)CC1 ZINC001333465712 918929400 /nfs/dbraw/zinc/92/94/00/918929400.db2.gz AKJGRKRNSNWKQP-UHFFFAOYSA-N 1 2 250.342 0.564 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001333569440 919008519 /nfs/dbraw/zinc/00/85/19/919008519.db2.gz XQPXDSHEZOYORG-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001333569440 919008534 /nfs/dbraw/zinc/00/85/34/919008534.db2.gz XQPXDSHEZOYORG-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001406083597 919035956 /nfs/dbraw/zinc/03/59/56/919035956.db2.gz XHJDJBGQCHXTEW-STQMWFEESA-N 1 2 296.415 0.697 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001406083597 919035967 /nfs/dbraw/zinc/03/59/67/919035967.db2.gz XHJDJBGQCHXTEW-STQMWFEESA-N 1 2 296.415 0.697 20 30 CCEDLO C#CCN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001334433520 919582057 /nfs/dbraw/zinc/58/20/57/919582057.db2.gz JOAJRFMIXLVRRT-UHFFFAOYSA-N 1 2 256.313 0.803 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001407709533 919857156 /nfs/dbraw/zinc/85/71/56/919857156.db2.gz AGMKSCHVPVZKHW-BXKDBHETSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001335076817 919936277 /nfs/dbraw/zinc/93/62/77/919936277.db2.gz ILBUILNSIBWALQ-VXGBXAGGSA-N 1 2 294.355 0.041 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001336269202 920696160 /nfs/dbraw/zinc/69/61/60/920696160.db2.gz AWSYEBKCKFEEQD-DTORHVGOSA-N 1 2 261.705 0.633 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001336269202 920696167 /nfs/dbraw/zinc/69/61/67/920696167.db2.gz AWSYEBKCKFEEQD-DTORHVGOSA-N 1 2 261.705 0.633 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001418091027 921822966 /nfs/dbraw/zinc/82/29/66/921822966.db2.gz XTWCQAPQQABLDR-OYBPUVFXSA-N 1 2 277.328 0.836 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001340972257 922300303 /nfs/dbraw/zinc/30/03/03/922300303.db2.gz KEQGZIZJJUHBHA-GXFFZTMASA-N 1 2 262.313 0.490 20 30 CCEDLO C=C[C@@H](COC)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001343032245 923173012 /nfs/dbraw/zinc/17/30/12/923173012.db2.gz KVWNODFMNFXFIK-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001420141935 923343532 /nfs/dbraw/zinc/34/35/32/923343532.db2.gz OOOBMIZTJCGWPY-LLVKDONJSA-N 1 2 292.339 0.940 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001420141935 923343541 /nfs/dbraw/zinc/34/35/41/923343541.db2.gz OOOBMIZTJCGWPY-LLVKDONJSA-N 1 2 292.339 0.940 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001420357735 923576584 /nfs/dbraw/zinc/57/65/84/923576584.db2.gz FWCXNPLCUFUIQZ-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001420357735 923576591 /nfs/dbraw/zinc/57/65/91/923576591.db2.gz FWCXNPLCUFUIQZ-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO Cc1cc(C)n(CC[NH+]2CC(N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001421053010 924120328 /nfs/dbraw/zinc/12/03/28/924120328.db2.gz QEKBTMBBDQVPHG-LLVKDONJSA-N 1 2 289.383 0.802 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001421125667 924165282 /nfs/dbraw/zinc/16/52/82/924165282.db2.gz AWTLXNYXIFIAQK-RYUDHWBXSA-N 1 2 294.399 0.355 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001348619684 924755099 /nfs/dbraw/zinc/75/50/99/924755099.db2.gz ZHYCCKXWJHWIBJ-GFCCVEGCSA-N 1 2 264.329 0.907 20 30 CCEDLO COCCN(CC#N)C(=O)CCc1[nH+]ccn1C ZINC001348718633 924784843 /nfs/dbraw/zinc/78/48/43/924784843.db2.gz YRUKFZPRBUFCCN-UHFFFAOYSA-N 1 2 250.302 0.351 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001349493409 924974934 /nfs/dbraw/zinc/97/49/34/924974934.db2.gz IWHYJTXCCHTMPK-LLVKDONJSA-N 1 2 278.356 0.787 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C(C)C)n2C)CC1 ZINC001350896021 925308680 /nfs/dbraw/zinc/30/86/80/925308680.db2.gz WOHVYAHSTNKQIO-GFCCVEGCSA-N 1 2 277.372 0.260 20 30 CCEDLO C=C(CC(C)C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001351624796 925447692 /nfs/dbraw/zinc/44/76/92/925447692.db2.gz IBPTZGZXMBRGQC-AWEZNQCLSA-N 1 2 284.400 0.740 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480452621 925750830 /nfs/dbraw/zinc/75/08/30/925750830.db2.gz NSQTZTXPMUVPJV-HZMBPMFUSA-N 1 2 296.371 0.553 20 30 CCEDLO C=CCCCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001356700368 926419149 /nfs/dbraw/zinc/41/91/49/926419149.db2.gz PKFCUHGZDOMGHK-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001358508521 926718032 /nfs/dbraw/zinc/71/80/32/926718032.db2.gz YDQXPOSNNCJWTB-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358643907 926768943 /nfs/dbraw/zinc/76/89/43/926768943.db2.gz UQKXQAXLVPBAKN-ZDUSSCGKSA-N 1 2 288.351 0.329 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC001421773057 926903022 /nfs/dbraw/zinc/90/30/22/926903022.db2.gz CKMQPHFYOIHQOJ-TZMCWYRMSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC001421773057 926903033 /nfs/dbraw/zinc/90/30/33/926903033.db2.gz CKMQPHFYOIHQOJ-TZMCWYRMSA-N 1 2 295.383 0.532 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001422212458 927152384 /nfs/dbraw/zinc/15/23/84/927152384.db2.gz JZEATKJZFOUNAK-UHFFFAOYSA-N 1 2 298.774 0.870 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001422212458 927152394 /nfs/dbraw/zinc/15/23/94/927152394.db2.gz JZEATKJZFOUNAK-UHFFFAOYSA-N 1 2 298.774 0.870 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCn2ccnn2)C1 ZINC001422720359 927470975 /nfs/dbraw/zinc/47/09/75/927470975.db2.gz DYDANQMZENVEJP-NSHDSACASA-N 1 2 297.790 0.857 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001423201496 927737558 /nfs/dbraw/zinc/73/75/58/927737558.db2.gz SMSCBWBMEOMGDS-QWRGUYRKSA-N 1 2 273.340 0.936 20 30 CCEDLO Cc1cc(CNC(=O)Cn2cnc(C#N)n2)cc(C)[nH+]1 ZINC001362568634 928188153 /nfs/dbraw/zinc/18/81/53/928188153.db2.gz NTVTUUCOIXWXPP-UHFFFAOYSA-N 1 2 270.296 0.478 20 30 CCEDLO N#Cc1cc(CNS(=O)(=O)CCn2cc[nH+]c2)ccn1 ZINC001424908234 928342155 /nfs/dbraw/zinc/34/21/55/928342155.db2.gz BWNFOTIPJAGHCK-UHFFFAOYSA-N 1 2 291.336 0.269 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001363396011 929181149 /nfs/dbraw/zinc/18/11/49/929181149.db2.gz CKFQDROMSSNRBC-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001429454531 929459902 /nfs/dbraw/zinc/45/99/02/929459902.db2.gz PNEYNUQYELXSGD-HBNTYKKESA-N 1 2 289.339 0.247 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001429454531 929459906 /nfs/dbraw/zinc/45/99/06/929459906.db2.gz PNEYNUQYELXSGD-HBNTYKKESA-N 1 2 289.339 0.247 20 30 CCEDLO N#CCCN(CCc1cn[nH]c1)CC[NH+]1CCOCC1 ZINC001363773737 929560386 /nfs/dbraw/zinc/56/03/86/929560386.db2.gz LPZNNKAIGULMDK-UHFFFAOYSA-N 1 2 277.372 0.500 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001372572461 929885763 /nfs/dbraw/zinc/88/57/63/929885763.db2.gz TYTNEXIZNIRNDR-SNVBAGLBSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1nc[nH]n1 ZINC001372572461 929885768 /nfs/dbraw/zinc/88/57/68/929885768.db2.gz TYTNEXIZNIRNDR-SNVBAGLBSA-N 1 2 283.763 0.680 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001373017004 930042395 /nfs/dbraw/zinc/04/23/95/930042395.db2.gz DUVCLDNMIKSIER-GHMZBOCLSA-N 1 2 291.355 0.133 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)N2CCCCC2)C1 ZINC001373503791 930223117 /nfs/dbraw/zinc/22/31/17/930223117.db2.gz PNEFNRMMODOGLS-LBPRGKRZSA-N 1 2 292.383 0.207 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001373504765 930224973 /nfs/dbraw/zinc/22/49/73/930224973.db2.gz ZJAIWFIEOWYLCI-JTQLQIEISA-N 1 2 283.763 0.640 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001374263918 930470905 /nfs/dbraw/zinc/47/09/05/930470905.db2.gz OFCMZBUCGCQUMJ-LBPRGKRZSA-N 1 2 288.351 0.189 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001375005745 930756448 /nfs/dbraw/zinc/75/64/48/930756448.db2.gz YCYQKQFKDKOJFK-SNVBAGLBSA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001375005745 930756452 /nfs/dbraw/zinc/75/64/52/930756452.db2.gz YCYQKQFKDKOJFK-SNVBAGLBSA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001375030262 930771064 /nfs/dbraw/zinc/77/10/64/930771064.db2.gz FDKSWADIMYJISU-DTWKUNHWSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001375030262 930771067 /nfs/dbraw/zinc/77/10/67/930771067.db2.gz FDKSWADIMYJISU-DTWKUNHWSA-N 1 2 275.736 0.284 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116101 931054406 /nfs/dbraw/zinc/05/44/06/931054406.db2.gz NNSULDGZEGHHTJ-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116101 931054413 /nfs/dbraw/zinc/05/44/13/931054413.db2.gz NNSULDGZEGHHTJ-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588662556 983789909 /nfs/dbraw/zinc/78/99/09/983789909.db2.gz BRIMGTGPEKTMSC-VXGBXAGGSA-N 1 2 281.356 0.040 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001588662556 983789916 /nfs/dbraw/zinc/78/99/16/983789916.db2.gz BRIMGTGPEKTMSC-VXGBXAGGSA-N 1 2 281.356 0.040 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)s1 ZINC000599666543 361779004 /nfs/dbraw/zinc/77/90/04/361779004.db2.gz YBWZIDUVUHFQBG-VIFPVBQESA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)s1 ZINC000599666543 361779009 /nfs/dbraw/zinc/77/90/09/361779009.db2.gz YBWZIDUVUHFQBG-VIFPVBQESA-N 1 2 265.338 0.696 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599634935 361764990 /nfs/dbraw/zinc/76/49/90/361764990.db2.gz GUDHQZSYDKWNBG-SPGKTFTMSA-N 1 2 257.355 0.699 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599634935 361764993 /nfs/dbraw/zinc/76/49/93/361764993.db2.gz GUDHQZSYDKWNBG-SPGKTFTMSA-N 1 2 257.355 0.699 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCCCC#N ZINC000600419272 361955863 /nfs/dbraw/zinc/95/58/63/361955863.db2.gz GHEMBIAJRHEPIK-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCCCC#N ZINC000600419272 361955870 /nfs/dbraw/zinc/95/58/70/361955870.db2.gz GHEMBIAJRHEPIK-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000600420816 361957286 /nfs/dbraw/zinc/95/72/86/361957286.db2.gz LAYNUYISFGYHMT-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000600420816 361957290 /nfs/dbraw/zinc/95/72/90/361957290.db2.gz LAYNUYISFGYHMT-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000330089610 529579473 /nfs/dbraw/zinc/57/94/73/529579473.db2.gz OWQKVXKWEAJNJV-LBPRGKRZSA-N 1 2 294.355 0.936 20 30 CCEDLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)N1CCOCC1 ZINC000330089610 529579475 /nfs/dbraw/zinc/57/94/75/529579475.db2.gz OWQKVXKWEAJNJV-LBPRGKRZSA-N 1 2 294.355 0.936 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000617720253 365724579 /nfs/dbraw/zinc/72/45/79/365724579.db2.gz AJKMXULAXHPFNI-NWDGAFQWSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000617720253 365724583 /nfs/dbraw/zinc/72/45/83/365724583.db2.gz AJKMXULAXHPFNI-NWDGAFQWSA-N 1 2 293.371 0.303 20 30 CCEDLO Cc1cc(C#N)cc(N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176081 362166862 /nfs/dbraw/zinc/16/68/62/362166862.db2.gz FNBNWJXERCZTKX-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(F)(C#N)CC2)C1 ZINC000344780085 529783257 /nfs/dbraw/zinc/78/32/57/529783257.db2.gz VDSRPFNTHKVGFN-NSHDSACASA-N 1 2 284.335 0.354 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(F)(C#N)CC2)C1 ZINC000344780085 529783259 /nfs/dbraw/zinc/78/32/59/529783259.db2.gz VDSRPFNTHKVGFN-NSHDSACASA-N 1 2 284.335 0.354 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(C#N)CCC3)C[C@@H]21 ZINC000333141486 529785743 /nfs/dbraw/zinc/78/57/43/529785743.db2.gz CKOLWRBWTLEIAD-NWDGAFQWSA-N 1 2 278.356 0.405 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(C#N)CCC3)C[C@@H]21 ZINC000333141486 529785745 /nfs/dbraw/zinc/78/57/45/529785745.db2.gz CKOLWRBWTLEIAD-NWDGAFQWSA-N 1 2 278.356 0.405 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329984983 529813884 /nfs/dbraw/zinc/81/38/84/529813884.db2.gz CTERFYBFZOZVDR-GIPWTMENSA-N 1 2 296.396 0.672 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601685304 362354707 /nfs/dbraw/zinc/35/47/07/362354707.db2.gz TUZVZWHJGPFTTJ-ZDUSSCGKSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601685304 362354712 /nfs/dbraw/zinc/35/47/12/362354712.db2.gz TUZVZWHJGPFTTJ-ZDUSSCGKSA-N 1 2 273.336 0.813 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCN(CCC#N)CC1 ZINC000602204794 362556926 /nfs/dbraw/zinc/55/69/26/362556926.db2.gz WMYKKBSYKQWGKE-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nccn1C ZINC000783531825 581348606 /nfs/dbraw/zinc/34/86/06/581348606.db2.gz MJYCBKRVWHNPRA-JTQLQIEISA-N 1 2 257.359 0.672 20 30 CCEDLO N#CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000602641803 362728602 /nfs/dbraw/zinc/72/86/02/362728602.db2.gz DUKLYVZWGIGEOJ-UHFFFAOYSA-N 1 2 283.328 0.866 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000602646773 362729651 /nfs/dbraw/zinc/72/96/51/362729651.db2.gz FCTDSVUBRNRATN-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000602646773 362729655 /nfs/dbraw/zinc/72/96/55/362729655.db2.gz FCTDSVUBRNRATN-CHWSQXEVSA-N 1 2 256.309 0.664 20 30 CCEDLO CC(C)(CN1CCN(CCC#N)CC1)[NH+]1CCOCC1 ZINC000602747829 362780700 /nfs/dbraw/zinc/78/07/00/362780700.db2.gz FVCSTDUWGMJSPN-UHFFFAOYSA-N 1 2 280.416 0.628 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCOCC1 ZINC000602837201 362826867 /nfs/dbraw/zinc/82/68/67/362826867.db2.gz LPXSBBVXLLEHSD-ZDUSSCGKSA-N 1 2 268.357 0.681 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CC1(O)CCOCC1 ZINC000602837201 362826870 /nfs/dbraw/zinc/82/68/70/362826870.db2.gz LPXSBBVXLLEHSD-ZDUSSCGKSA-N 1 2 268.357 0.681 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602862107 362847030 /nfs/dbraw/zinc/84/70/30/362847030.db2.gz IWYPFFLNGRPQJC-NXEZZACHSA-N 1 2 254.334 0.748 20 30 CCEDLO Cc1nsc(N2CC[N@H+](CCO)[C@H](C)C2)c1C#N ZINC000343024227 137110768 /nfs/dbraw/zinc/11/07/68/137110768.db2.gz DKVBTYRNUFFCIP-SECBINFHSA-N 1 2 266.370 0.826 20 30 CCEDLO Cc1nsc(N2CC[N@@H+](CCO)[C@H](C)C2)c1C#N ZINC000343024227 137110769 /nfs/dbraw/zinc/11/07/69/137110769.db2.gz DKVBTYRNUFFCIP-SECBINFHSA-N 1 2 266.370 0.826 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000030276240 348117787 /nfs/dbraw/zinc/11/77/87/348117787.db2.gz KHRBLCIOZBGGKQ-UHFFFAOYSA-N 1 2 251.286 0.723 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000030276240 348117788 /nfs/dbraw/zinc/11/77/88/348117788.db2.gz KHRBLCIOZBGGKQ-UHFFFAOYSA-N 1 2 251.286 0.723 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000344690774 137208192 /nfs/dbraw/zinc/20/81/92/137208192.db2.gz GMQUXSVNFNYLFK-SECBINFHSA-N 1 2 292.320 0.641 20 30 CCEDLO N#Cc1c(F)cccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000037854489 348214193 /nfs/dbraw/zinc/21/41/93/348214193.db2.gz HCZKKVYVDYAQJT-NSHDSACASA-N 1 2 279.315 0.802 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000041105949 348246977 /nfs/dbraw/zinc/24/69/77/348246977.db2.gz QNUOXLWZWVZJKX-UHFFFAOYSA-N 1 2 293.411 0.987 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880014 362860615 /nfs/dbraw/zinc/86/06/15/362860615.db2.gz JCHHCAPMLBPTMQ-LLVKDONJSA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880014 362860616 /nfs/dbraw/zinc/86/06/16/362860616.db2.gz JCHHCAPMLBPTMQ-LLVKDONJSA-N 1 2 277.328 0.558 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000602895793 362871225 /nfs/dbraw/zinc/87/12/25/362871225.db2.gz FCJCOXLWLXIKTA-ZFWWWQNUSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000602895793 362871231 /nfs/dbraw/zinc/87/12/31/362871231.db2.gz FCJCOXLWLXIKTA-ZFWWWQNUSA-N 1 2 292.335 0.603 20 30 CCEDLO N#CCC1(C[NH+]2CCN(c3nccnn3)CC2)CC1 ZINC000602914714 362882866 /nfs/dbraw/zinc/88/28/66/362882866.db2.gz FVVDYPCWRDMVTP-UHFFFAOYSA-N 1 2 258.329 0.687 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000046061231 348349020 /nfs/dbraw/zinc/34/90/20/348349020.db2.gz UXINFGHZXUKASL-UHFFFAOYSA-N 1 2 294.399 0.772 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000046061231 348349022 /nfs/dbraw/zinc/34/90/22/348349022.db2.gz UXINFGHZXUKASL-UHFFFAOYSA-N 1 2 294.399 0.772 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000047342736 348375063 /nfs/dbraw/zinc/37/50/63/348375063.db2.gz HNXOJOINMOJIKJ-UHFFFAOYSA-N 1 2 286.335 0.191 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000047342736 348375067 /nfs/dbraw/zinc/37/50/67/348375067.db2.gz HNXOJOINMOJIKJ-UHFFFAOYSA-N 1 2 286.335 0.191 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047795363 348388172 /nfs/dbraw/zinc/38/81/72/348388172.db2.gz VKCGTZQLGSNEFM-NWDGAFQWSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047795363 348388176 /nfs/dbraw/zinc/38/81/76/348388176.db2.gz VKCGTZQLGSNEFM-NWDGAFQWSA-N 1 2 281.356 0.335 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974118 362916754 /nfs/dbraw/zinc/91/67/54/362916754.db2.gz KALXESWAWPCEPC-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974118 362916760 /nfs/dbraw/zinc/91/67/60/362916760.db2.gz KALXESWAWPCEPC-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000048047952 348397418 /nfs/dbraw/zinc/39/74/18/348397418.db2.gz HBVFDTRDBNADCR-AWEZNQCLSA-N 1 2 280.372 0.382 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000048047952 348397421 /nfs/dbraw/zinc/39/74/21/348397421.db2.gz HBVFDTRDBNADCR-AWEZNQCLSA-N 1 2 280.372 0.382 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000052659267 348513156 /nfs/dbraw/zinc/51/31/56/348513156.db2.gz VVTCTHBPFKAFPY-UHFFFAOYSA-N 1 2 280.372 0.525 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000052659267 348513159 /nfs/dbraw/zinc/51/31/59/348513159.db2.gz VVTCTHBPFKAFPY-UHFFFAOYSA-N 1 2 280.372 0.525 20 30 CCEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000056510905 348592107 /nfs/dbraw/zinc/59/21/07/348592107.db2.gz DJYREDFTLNAEOP-HNNXBMFYSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N(C)C ZINC000056510905 348592109 /nfs/dbraw/zinc/59/21/09/348592109.db2.gz DJYREDFTLNAEOP-HNNXBMFYSA-N 1 2 296.415 0.841 20 30 CCEDLO C#CCN(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000056551143 348593179 /nfs/dbraw/zinc/59/31/79/348593179.db2.gz YSSUPVZPRUOZLA-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)CC1 ZINC000064795607 348704576 /nfs/dbraw/zinc/70/45/76/348704576.db2.gz SVWBHNKTERRGRW-VXGBXAGGSA-N 1 2 295.383 0.878 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000064795607 348704579 /nfs/dbraw/zinc/70/45/79/348704579.db2.gz SVWBHNKTERRGRW-VXGBXAGGSA-N 1 2 295.383 0.878 20 30 CCEDLO N#CCCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000067130505 348767473 /nfs/dbraw/zinc/76/74/73/348767473.db2.gz DLSFEPJTSWVSNP-GFCCVEGCSA-N 1 2 251.330 0.613 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)CCn1nc2ccccn2c1=O ZINC000066469036 348744325 /nfs/dbraw/zinc/74/43/25/348744325.db2.gz IBGNNPTXUJUCBL-NSHDSACASA-N 1 2 259.313 0.587 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000066469036 348744330 /nfs/dbraw/zinc/74/43/30/348744330.db2.gz IBGNNPTXUJUCBL-NSHDSACASA-N 1 2 259.313 0.587 20 30 CCEDLO C=CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000073043240 348941938 /nfs/dbraw/zinc/94/19/38/348941938.db2.gz RRICEUNGOUJPIV-UHFFFAOYSA-N 1 2 280.372 0.122 20 30 CCEDLO COc1ccccc1N1CC[NH+](CC(=O)NCC#N)CC1 ZINC000076667699 349088593 /nfs/dbraw/zinc/08/85/93/349088593.db2.gz GEBGUFGEGCHRBV-UHFFFAOYSA-N 1 2 288.351 0.457 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000079553901 349183431 /nfs/dbraw/zinc/18/34/31/349183431.db2.gz LEXWJKDOXOQPTC-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2CO)cc1 ZINC000081513214 349270586 /nfs/dbraw/zinc/27/05/86/349270586.db2.gz LCAATZOIUZTUDW-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000081513214 349270589 /nfs/dbraw/zinc/27/05/89/349270589.db2.gz LCAATZOIUZTUDW-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(CO)c2)CC1 ZINC000089128833 349376001 /nfs/dbraw/zinc/37/60/01/349376001.db2.gz GVRJLPPQNLHRJX-UHFFFAOYSA-N 1 2 288.347 0.335 20 30 CCEDLO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)C[C@@H](CO)O1 ZINC000163117133 350760520 /nfs/dbraw/zinc/76/05/20/350760520.db2.gz USFDTUCRPCVPTE-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)C[C@@H](CO)O1 ZINC000163117133 350760524 /nfs/dbraw/zinc/76/05/24/350760524.db2.gz USFDTUCRPCVPTE-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2CO)cc1 ZINC000168131253 350820970 /nfs/dbraw/zinc/82/09/70/350820970.db2.gz OJDURUACNGWGMZ-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000168131253 350820972 /nfs/dbraw/zinc/82/09/72/350820972.db2.gz OJDURUACNGWGMZ-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000171975928 350948391 /nfs/dbraw/zinc/94/83/91/350948391.db2.gz RPZBZYXUWHCIHP-AWEZNQCLSA-N 1 2 293.411 0.562 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000171975928 350948394 /nfs/dbraw/zinc/94/83/94/350948394.db2.gz RPZBZYXUWHCIHP-AWEZNQCLSA-N 1 2 293.411 0.562 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172877106 351013505 /nfs/dbraw/zinc/01/35/05/351013505.db2.gz RFOVJYAFOLMHCG-KGLIPLIRSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172877106 351013507 /nfs/dbraw/zinc/01/35/07/351013507.db2.gz RFOVJYAFOLMHCG-KGLIPLIRSA-N 1 2 282.384 0.923 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2nc(C#N)cs2)nn1 ZINC000603249774 363022435 /nfs/dbraw/zinc/02/24/35/363022435.db2.gz UMZWNBCFJXQLRO-UHFFFAOYSA-N 1 2 292.368 0.733 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2nc(C#N)cs2)nn1 ZINC000603249774 363022441 /nfs/dbraw/zinc/02/24/41/363022441.db2.gz UMZWNBCFJXQLRO-UHFFFAOYSA-N 1 2 292.368 0.733 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000184060577 351400205 /nfs/dbraw/zinc/40/02/05/351400205.db2.gz LMCHVYQRJJXQKN-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000184060577 351400209 /nfs/dbraw/zinc/40/02/09/351400209.db2.gz LMCHVYQRJJXQKN-AWEZNQCLSA-N 1 2 289.335 0.384 20 30 CCEDLO Cc1nc(N2CCN(C(=O)NC[C@H](C)C#N)CC2)cc[nH+]1 ZINC000185062220 351431080 /nfs/dbraw/zinc/43/10/80/351431080.db2.gz COGUCHKFXHXQQW-LLVKDONJSA-N 1 2 288.355 0.776 20 30 CCEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191319803 351753562 /nfs/dbraw/zinc/75/35/62/351753562.db2.gz CVYSYQNRTGOXTJ-CYBMUJFWSA-N 1 2 260.341 0.853 20 30 CCEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191319803 351753565 /nfs/dbraw/zinc/75/35/65/351753565.db2.gz CVYSYQNRTGOXTJ-CYBMUJFWSA-N 1 2 260.341 0.853 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000231898578 352137365 /nfs/dbraw/zinc/13/73/65/352137365.db2.gz LYHMZZPQTVRLPI-LLVKDONJSA-N 1 2 261.329 0.789 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000234358832 352158151 /nfs/dbraw/zinc/15/81/51/352158151.db2.gz MPBLCPANZYFEDC-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000234358832 352158153 /nfs/dbraw/zinc/15/81/53/352158153.db2.gz MPBLCPANZYFEDC-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@@H](CO)C2)ccc1C#N ZINC000234988779 352179513 /nfs/dbraw/zinc/17/95/13/352179513.db2.gz GEWBMHYBUJKYAI-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@@H](CO)C2)ccc1C#N ZINC000234988779 352179518 /nfs/dbraw/zinc/17/95/18/352179518.db2.gz GEWBMHYBUJKYAI-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000269995865 352894098 /nfs/dbraw/zinc/89/40/98/352894098.db2.gz WEEHDTNKYFVELO-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC ZINC000270823026 352990519 /nfs/dbraw/zinc/99/05/19/352990519.db2.gz ZABDLFAOACEQQD-LLVKDONJSA-N 1 2 255.362 0.477 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC ZINC000270823026 352990525 /nfs/dbraw/zinc/99/05/25/352990525.db2.gz ZABDLFAOACEQQD-LLVKDONJSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270499372 352940235 /nfs/dbraw/zinc/94/02/35/352940235.db2.gz PHYUSSOQAWSSLO-PWSUYJOCSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270499372 352940236 /nfs/dbraw/zinc/94/02/36/352940236.db2.gz PHYUSSOQAWSSLO-PWSUYJOCSA-N 1 2 295.339 0.591 20 30 CCEDLO CC1(C)C[N@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000295458433 353895233 /nfs/dbraw/zinc/89/52/33/353895233.db2.gz HOTWRNCLNARZMT-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)C[N@@H+](CCNc2nccc(C#N)n2)CCO1 ZINC000295458433 353895237 /nfs/dbraw/zinc/89/52/37/353895237.db2.gz HOTWRNCLNARZMT-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295686903 353912214 /nfs/dbraw/zinc/91/22/14/353912214.db2.gz LDJJFPPXDNDRCB-GFCCVEGCSA-N 1 2 297.380 0.430 20 30 CCEDLO CC[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295686903 353912215 /nfs/dbraw/zinc/91/22/15/353912215.db2.gz LDJJFPPXDNDRCB-GFCCVEGCSA-N 1 2 297.380 0.430 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209330 353936964 /nfs/dbraw/zinc/93/69/64/353936964.db2.gz NGZPGARUXVGEKA-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC(=O)N1 ZINC000296209330 353936968 /nfs/dbraw/zinc/93/69/68/353936968.db2.gz NGZPGARUXVGEKA-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO Cc1nnc(N(C)CC[NH+]2CCOCC2)c(C#N)c1C ZINC000301141783 354070340 /nfs/dbraw/zinc/07/03/40/354070340.db2.gz GFKVRKGEUVJGPM-UHFFFAOYSA-N 1 2 275.356 0.734 20 30 CCEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000332173558 354624957 /nfs/dbraw/zinc/62/49/57/354624957.db2.gz YSRQTTFGATWCDL-TXEJJXNPSA-N 1 2 286.291 0.146 20 30 CCEDLO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000332173558 354624960 /nfs/dbraw/zinc/62/49/60/354624960.db2.gz YSRQTTFGATWCDL-TXEJJXNPSA-N 1 2 286.291 0.146 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1F ZINC000332255865 354635175 /nfs/dbraw/zinc/63/51/75/354635175.db2.gz MTJNGCWCPQXKEO-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1F ZINC000332255865 354635179 /nfs/dbraw/zinc/63/51/79/354635179.db2.gz MTJNGCWCPQXKEO-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336566491 355117226 /nfs/dbraw/zinc/11/72/26/355117226.db2.gz PVXVMUCLQLILLY-LLVKDONJSA-N 1 2 269.308 0.838 20 30 CCEDLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)n1cnc(C#N)n1 ZINC000336963777 355234242 /nfs/dbraw/zinc/23/42/42/355234242.db2.gz GYUYIMCEOJEMSM-JTQLQIEISA-N 1 2 295.306 0.675 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000338302501 355315400 /nfs/dbraw/zinc/31/54/00/355315400.db2.gz JPPRFIYKKNAUDL-LBPRGKRZSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000338302501 355315403 /nfs/dbraw/zinc/31/54/03/355315403.db2.gz JPPRFIYKKNAUDL-LBPRGKRZSA-N 1 2 294.399 0.593 20 30 CCEDLO N#Cc1csc(C[NH2+][C@@H]2CCCCNC2=O)n1 ZINC000352837626 356092954 /nfs/dbraw/zinc/09/29/54/356092954.db2.gz OTADBQNQWFHRGD-SECBINFHSA-N 1 2 250.327 0.773 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000361288277 138027428 /nfs/dbraw/zinc/02/74/28/138027428.db2.gz MVUNKIDLXUDAEG-HOTGVXAUSA-N 1 2 287.363 0.436 20 30 CCEDLO Cn1ncc(C(=O)NCCc2cn3ccccc3[nH+]2)c1C#N ZINC000353860067 356306485 /nfs/dbraw/zinc/30/64/85/356306485.db2.gz UHBMQQMKTPBMME-UHFFFAOYSA-N 1 2 294.318 0.912 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900926 291089619 /nfs/dbraw/zinc/08/96/19/291089619.db2.gz GEERTXSEUAXQJT-WCQYABFASA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900926 291089622 /nfs/dbraw/zinc/08/96/22/291089622.db2.gz GEERTXSEUAXQJT-WCQYABFASA-N 1 2 294.376 0.787 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2nccc(C)c2C#N)CC1 ZINC000363650095 138092933 /nfs/dbraw/zinc/09/29/33/138092933.db2.gz DUYZQPKODYFPPN-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2nccc(C)c2C#N)CC1 ZINC000363650095 138092934 /nfs/dbraw/zinc/09/29/34/138092934.db2.gz DUYZQPKODYFPPN-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CC(C)C[C@@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000608821533 363465808 /nfs/dbraw/zinc/46/58/08/363465808.db2.gz TXDAFNVRFZVSOP-LBPRGKRZSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)C[C@@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000608821533 363465814 /nfs/dbraw/zinc/46/58/14/363465814.db2.gz TXDAFNVRFZVSOP-LBPRGKRZSA-N 1 2 282.388 0.497 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccn1 ZINC000619439578 366252812 /nfs/dbraw/zinc/25/28/12/366252812.db2.gz HUSSSJWMZWFXSD-AWEZNQCLSA-N 1 2 286.335 0.500 20 30 CCEDLO Cn1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000608959460 363469465 /nfs/dbraw/zinc/46/94/65/363469465.db2.gz GJKAMRXONLODHU-UHFFFAOYSA-N 1 2 291.355 0.108 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000610391128 363554451 /nfs/dbraw/zinc/55/44/51/363554451.db2.gz UNPSIUPCICIWCW-MRXNPFEDSA-N 1 2 294.443 0.874 20 30 CCEDLO C=C[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)C(=O)OC ZINC000619703097 366327262 /nfs/dbraw/zinc/32/72/62/366327262.db2.gz DRYJIHXVFDTGMC-LBPRGKRZSA-N 1 2 284.356 0.331 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000619717754 366336392 /nfs/dbraw/zinc/33/63/92/366336392.db2.gz HSUWMFJHXWXJRF-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000619717754 366336400 /nfs/dbraw/zinc/33/64/00/366336400.db2.gz HSUWMFJHXWXJRF-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000619718430 366337473 /nfs/dbraw/zinc/33/74/73/366337473.db2.gz LZQINIQUBMIVMI-YGRLFVJLSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000619718425 366338261 /nfs/dbraw/zinc/33/82/61/366338261.db2.gz LZQINIQUBMIVMI-HZMBPMFUSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000359219646 356787902 /nfs/dbraw/zinc/78/79/02/356787902.db2.gz FZIDHGPEJDFYNX-NEPJUHHUSA-N 1 2 276.340 0.506 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000359219662 356788367 /nfs/dbraw/zinc/78/83/67/356788367.db2.gz FZIDHGPEJDFYNX-VXGBXAGGSA-N 1 2 276.340 0.506 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000366434821 357206912 /nfs/dbraw/zinc/20/69/12/357206912.db2.gz GWWXWCKSCARYNY-GFCCVEGCSA-N 1 2 288.311 0.273 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000374124408 357395899 /nfs/dbraw/zinc/39/58/99/357395899.db2.gz ACVAHFCWSGIZPN-ZDUSSCGKSA-N 1 2 289.383 0.598 20 30 CCEDLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000400102085 357786733 /nfs/dbraw/zinc/78/67/33/357786733.db2.gz AUBRVSUBNAGCJD-MRVPVSSYSA-N 1 2 286.382 0.138 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000294447645 199043821 /nfs/dbraw/zinc/04/38/21/199043821.db2.gz FRPPPBZVNCRECM-UHFFFAOYSA-N 1 2 268.748 0.645 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000294447645 199043823 /nfs/dbraw/zinc/04/38/23/199043823.db2.gz FRPPPBZVNCRECM-UHFFFAOYSA-N 1 2 268.748 0.645 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1C ZINC000408377690 358061904 /nfs/dbraw/zinc/06/19/04/358061904.db2.gz YTJQIYLKHYGBGC-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1C ZINC000408377690 358061905 /nfs/dbraw/zinc/06/19/05/358061905.db2.gz YTJQIYLKHYGBGC-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449290864 358251908 /nfs/dbraw/zinc/25/19/08/358251908.db2.gz ZJRCQLRQNFCWGK-GFCCVEGCSA-N 1 2 264.329 0.992 20 30 CCEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(CC(=O)OC)nn1 ZINC000449290864 358251910 /nfs/dbraw/zinc/25/19/10/358251910.db2.gz ZJRCQLRQNFCWGK-GFCCVEGCSA-N 1 2 264.329 0.992 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC3(CCCC3)CC2=O)CC1 ZINC000490780849 358291568 /nfs/dbraw/zinc/29/15/68/358291568.db2.gz SBZLAUAHUVVMOS-UHFFFAOYSA-N 1 2 275.396 0.987 20 30 CCEDLO Cn1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493041786 358304536 /nfs/dbraw/zinc/30/45/36/358304536.db2.gz ACDYZFYHMYJPDC-GXMNPTEKSA-N 1 2 260.341 0.998 20 30 CCEDLO CCN1CCN(c2cncc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000568623353 358690098 /nfs/dbraw/zinc/69/00/98/358690098.db2.gz RLSPNUMRKJGVDE-LBPRGKRZSA-N 1 2 283.339 0.955 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(CCF)CC2)c1C#N ZINC000570438541 358856907 /nfs/dbraw/zinc/85/69/07/358856907.db2.gz ITGAZEZMXHWNPY-UHFFFAOYSA-N 1 2 293.346 0.934 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCNC3=O)nc1 ZINC000573264097 358952418 /nfs/dbraw/zinc/95/24/18/358952418.db2.gz SZHYQJKGJWENAX-CQSZACIVSA-N 1 2 256.309 0.808 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCNC3=O)nc1 ZINC000573264097 358952421 /nfs/dbraw/zinc/95/24/21/358952421.db2.gz SZHYQJKGJWENAX-CQSZACIVSA-N 1 2 256.309 0.808 20 30 CCEDLO C=CCn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)nn1 ZINC000579948004 359064580 /nfs/dbraw/zinc/06/45/80/359064580.db2.gz MYEDOGOIASUZKQ-MRVPVSSYSA-N 1 2 250.224 0.477 20 30 CCEDLO CN(CCCn1cc[nH+]c1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876743 363625193 /nfs/dbraw/zinc/62/51/93/363625193.db2.gz ZPBZPZWJDKLDGJ-UHFFFAOYSA-N 1 2 287.327 0.464 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000588002845 359305500 /nfs/dbraw/zinc/30/55/00/359305500.db2.gz VLOMNCYGJDYPRD-JQWIXIFHSA-N 1 2 261.329 0.788 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000588002845 359305505 /nfs/dbraw/zinc/30/55/05/359305505.db2.gz VLOMNCYGJDYPRD-JQWIXIFHSA-N 1 2 261.329 0.788 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1(C#N)CC1 ZINC000590196054 359429038 /nfs/dbraw/zinc/42/90/38/359429038.db2.gz QHLVGFMFYRJGHC-UHFFFAOYSA-N 1 2 290.367 0.755 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000590192007 359429272 /nfs/dbraw/zinc/42/92/72/359429272.db2.gz SXIMSZPFLFZPII-RYUDHWBXSA-N 1 2 280.328 0.135 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000590192007 359429276 /nfs/dbraw/zinc/42/92/76/359429276.db2.gz SXIMSZPFLFZPII-RYUDHWBXSA-N 1 2 280.328 0.135 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CC3(C#N)CC3)C2)CC1 ZINC000590227252 359431414 /nfs/dbraw/zinc/43/14/14/359431414.db2.gz TYFKZSGUMBRFGF-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)n1 ZINC000589503138 359388025 /nfs/dbraw/zinc/38/80/25/359388025.db2.gz NRXNHTNKJVEMEU-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOCC(F)F ZINC000589826911 359403266 /nfs/dbraw/zinc/40/32/66/359403266.db2.gz BLBOZSFSSGYWMC-NSHDSACASA-N 1 2 263.288 0.618 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000591048169 359549883 /nfs/dbraw/zinc/54/98/83/359549883.db2.gz FAPHAZKNOGMUKW-CZUORRHYSA-N 1 2 288.347 0.843 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000591048169 359549887 /nfs/dbraw/zinc/54/98/87/359549887.db2.gz FAPHAZKNOGMUKW-CZUORRHYSA-N 1 2 288.347 0.843 20 30 CCEDLO Cc1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000591822597 359662703 /nfs/dbraw/zinc/66/27/03/359662703.db2.gz KZEXAZJRPOXQKY-NSHDSACASA-N 1 2 294.380 0.732 20 30 CCEDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592154905 359771859 /nfs/dbraw/zinc/77/18/59/359771859.db2.gz VTWBAWIATSWMID-GWCFXTLKSA-N 1 2 262.313 0.902 20 30 CCEDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592154905 359771863 /nfs/dbraw/zinc/77/18/63/359771863.db2.gz VTWBAWIATSWMID-GWCFXTLKSA-N 1 2 262.313 0.902 20 30 CCEDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccncc1C#N ZINC000592121582 359760342 /nfs/dbraw/zinc/76/03/42/359760342.db2.gz UGGXAWMTMMUNHZ-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccncc1C#N ZINC000592121582 359760344 /nfs/dbraw/zinc/76/03/44/359760344.db2.gz UGGXAWMTMMUNHZ-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000592123116 359760382 /nfs/dbraw/zinc/76/03/82/359760382.db2.gz VXAZXDYDCJNSHV-OAHLLOKOSA-N 1 2 298.350 0.874 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000592123116 359760384 /nfs/dbraw/zinc/76/03/84/359760384.db2.gz VXAZXDYDCJNSHV-OAHLLOKOSA-N 1 2 298.350 0.874 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000611190997 363676275 /nfs/dbraw/zinc/67/62/75/363676275.db2.gz DAFQZYJYVSIMED-CHWSQXEVSA-N 1 2 266.389 0.629 20 30 CCEDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175686 363672533 /nfs/dbraw/zinc/67/25/33/363672533.db2.gz IKTKSRHMOUCAML-UHFFFAOYSA-N 1 2 295.387 0.144 20 30 CCEDLO CNC(=O)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154420 360048531 /nfs/dbraw/zinc/04/85/31/360048531.db2.gz NFPKAAQZNNTEOY-OAHLLOKOSA-N 1 2 288.351 0.620 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593341924 360068926 /nfs/dbraw/zinc/06/89/26/360068926.db2.gz ZTKHGTCWWRNOLT-CYBMUJFWSA-N 1 2 293.415 0.615 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593341924 360068928 /nfs/dbraw/zinc/06/89/28/360068928.db2.gz ZTKHGTCWWRNOLT-CYBMUJFWSA-N 1 2 293.415 0.615 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)C1 ZINC000177075674 189026934 /nfs/dbraw/zinc/02/69/34/189026934.db2.gz KAAMLSRKLQNPQY-OLZOCXBDSA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)C1 ZINC000177075674 189026935 /nfs/dbraw/zinc/02/69/35/189026935.db2.gz KAAMLSRKLQNPQY-OLZOCXBDSA-N 1 2 260.293 0.839 20 30 CCEDLO CNC(=O)CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177043747 189023341 /nfs/dbraw/zinc/02/33/41/189023341.db2.gz BKFXIHCQXHZFKM-CQSZACIVSA-N 1 2 289.335 0.840 20 30 CCEDLO CNC(=O)CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177043747 189023342 /nfs/dbraw/zinc/02/33/42/189023342.db2.gz BKFXIHCQXHZFKM-CQSZACIVSA-N 1 2 289.335 0.840 20 30 CCEDLO N#Cc1ccc(F)c(C[NH2+][C@]2(C(N)=O)CCOC2)c1 ZINC000594034645 360239940 /nfs/dbraw/zinc/23/99/40/360239940.db2.gz GENRYCIMSYBQIB-CYBMUJFWSA-N 1 2 263.272 0.431 20 30 CCEDLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1F ZINC000611372025 363712836 /nfs/dbraw/zinc/71/28/36/363712836.db2.gz KWUHIPJKDWWMCO-TXEJJXNPSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1F ZINC000611372025 363712839 /nfs/dbraw/zinc/71/28/39/363712839.db2.gz KWUHIPJKDWWMCO-TXEJJXNPSA-N 1 2 250.273 0.625 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C(=O)OC ZINC000594710365 360363875 /nfs/dbraw/zinc/36/38/75/360363875.db2.gz ICZCSTBUBNYSFL-UTUOFQBUSA-N 1 2 256.346 0.413 20 30 CCEDLO C=C[C@H](NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C(=O)OC ZINC000594710365 360363879 /nfs/dbraw/zinc/36/38/79/360363879.db2.gz ICZCSTBUBNYSFL-UTUOFQBUSA-N 1 2 256.346 0.413 20 30 CCEDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CCCC#N)[C@H](C)CO1 ZINC000594816956 360388387 /nfs/dbraw/zinc/38/83/87/360388387.db2.gz MVXCEOHXPWBBFE-VXGBXAGGSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CCCC#N)[C@H](C)CO1 ZINC000594816956 360388396 /nfs/dbraw/zinc/38/83/96/360388396.db2.gz MVXCEOHXPWBBFE-VXGBXAGGSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCC#N)c1[nH+]ccn1C ZINC000595382960 360515174 /nfs/dbraw/zinc/51/51/74/360515174.db2.gz MFBDMFXETSDVCE-VIFPVBQESA-N 1 2 256.331 0.704 20 30 CCEDLO C[C@@H]1CN(CC[NH+]2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000595391665 360516322 /nfs/dbraw/zinc/51/63/22/360516322.db2.gz MIVSTLFQBCVXSZ-GASCZTMLSA-N 1 2 280.416 0.627 20 30 CCEDLO N#CCC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000595550400 360577114 /nfs/dbraw/zinc/57/71/14/360577114.db2.gz PYWDUVMUJYUBHG-UHFFFAOYSA-N 1 2 266.345 0.406 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(O)(CO)CC1 ZINC000595732766 360632527 /nfs/dbraw/zinc/63/25/27/360632527.db2.gz NTOFUWPRTSYUIS-UHFFFAOYSA-N 1 2 291.307 0.786 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595867686 360684162 /nfs/dbraw/zinc/68/41/62/360684162.db2.gz NZEBIKGWVFNWQO-NSHDSACASA-N 1 2 269.251 0.228 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC3CC2(C(=O)OCC)C3)C1=O ZINC000595870594 360686187 /nfs/dbraw/zinc/68/61/87/360686187.db2.gz LAZSVWDPIJELEI-MQYJIDSJSA-N 1 2 278.352 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC3CC2(C(=O)OCC)C3)C1=O ZINC000595870594 360686191 /nfs/dbraw/zinc/68/61/91/360686191.db2.gz LAZSVWDPIJELEI-MQYJIDSJSA-N 1 2 278.352 0.801 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCOCCC#N ZINC000595809123 360663683 /nfs/dbraw/zinc/66/36/83/360663683.db2.gz GLMUTVDXGWJEIO-ZDUSSCGKSA-N 1 2 270.329 0.571 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1CCOCCC#N ZINC000595809123 360663692 /nfs/dbraw/zinc/66/36/92/360663692.db2.gz GLMUTVDXGWJEIO-ZDUSSCGKSA-N 1 2 270.329 0.571 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOCCC#N ZINC000595809122 360664290 /nfs/dbraw/zinc/66/42/90/360664290.db2.gz GLMUTVDXGWJEIO-CYBMUJFWSA-N 1 2 270.329 0.571 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOCCC#N ZINC000595809122 360664293 /nfs/dbraw/zinc/66/42/93/360664293.db2.gz GLMUTVDXGWJEIO-CYBMUJFWSA-N 1 2 270.329 0.571 20 30 CCEDLO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595814099 360664851 /nfs/dbraw/zinc/66/48/51/360664851.db2.gz QPDOWJOIGJKUFS-NEPJUHHUSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595814099 360664854 /nfs/dbraw/zinc/66/48/54/360664854.db2.gz QPDOWJOIGJKUFS-NEPJUHHUSA-N 1 2 273.402 0.892 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802930 189147506 /nfs/dbraw/zinc/14/75/06/189147506.db2.gz FWBQYJUWFNQJQB-ODXCJYRJSA-N 1 2 292.404 0.994 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802930 189147507 /nfs/dbraw/zinc/14/75/07/189147507.db2.gz FWBQYJUWFNQJQB-ODXCJYRJSA-N 1 2 292.404 0.994 20 30 CCEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000179043887 189164589 /nfs/dbraw/zinc/16/45/89/189164589.db2.gz RCSRIWDPVDFQOD-AWEZNQCLSA-N 1 2 285.351 0.680 20 30 CCEDLO N#Cc1ccc(CCNc2[nH+]cnc3c2OCCN3)cc1 ZINC000596323045 360880567 /nfs/dbraw/zinc/88/05/67/360880567.db2.gz YZRMKWDIGJKOCQ-UHFFFAOYSA-N 1 2 281.319 0.920 20 30 CCEDLO N#Cc1ccc(CCNc2nc[nH+]c3c2OCCN3)cc1 ZINC000596323045 360880574 /nfs/dbraw/zinc/88/05/74/360880574.db2.gz YZRMKWDIGJKOCQ-UHFFFAOYSA-N 1 2 281.319 0.920 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2nccnc2C#N)[C@H](C)CO1 ZINC000596427356 360891389 /nfs/dbraw/zinc/89/13/89/360891389.db2.gz FWQIABHKYMABRW-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2nccnc2C#N)[C@H](C)CO1 ZINC000596427356 360891391 /nfs/dbraw/zinc/89/13/91/360891391.db2.gz FWQIABHKYMABRW-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO N#CC1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000596586151 360924437 /nfs/dbraw/zinc/92/44/37/360924437.db2.gz DGLMCSGTFXXBHU-LBPRGKRZSA-N 1 2 278.356 0.406 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000179835192 189223066 /nfs/dbraw/zinc/22/30/66/189223066.db2.gz PEHDPMDBYSLWOZ-UHFFFAOYSA-N 1 2 287.363 0.302 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597543552 361134221 /nfs/dbraw/zinc/13/42/21/361134221.db2.gz AFOAPIBBZNKLAF-RNCFNFMXSA-N 1 2 262.288 0.979 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597543552 361134223 /nfs/dbraw/zinc/13/42/23/361134223.db2.gz AFOAPIBBZNKLAF-RNCFNFMXSA-N 1 2 262.288 0.979 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000597748243 361232570 /nfs/dbraw/zinc/23/25/70/361232570.db2.gz XYMSEJZANGIYAT-CHWSQXEVSA-N 1 2 274.324 0.047 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000597748243 361232575 /nfs/dbraw/zinc/23/25/75/361232575.db2.gz XYMSEJZANGIYAT-CHWSQXEVSA-N 1 2 274.324 0.047 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181289943 189293323 /nfs/dbraw/zinc/29/33/23/189293323.db2.gz WHGQYCYTHBTUSL-UHFFFAOYSA-N 1 2 276.340 0.681 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621357670 366747381 /nfs/dbraw/zinc/74/73/81/366747381.db2.gz VYFPDSRQGBBKTK-ZDUSSCGKSA-N 1 2 294.376 0.548 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598607913 361458227 /nfs/dbraw/zinc/45/82/27/361458227.db2.gz OEQJWTUZABRBEB-WOPDTQHZSA-N 1 2 284.356 0.285 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598607913 361458228 /nfs/dbraw/zinc/45/82/28/361458228.db2.gz OEQJWTUZABRBEB-WOPDTQHZSA-N 1 2 284.356 0.285 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000598679836 361479768 /nfs/dbraw/zinc/47/97/68/361479768.db2.gz NMXNXKKYZSDKDR-INIZCTEOSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000598679836 361479772 /nfs/dbraw/zinc/47/97/72/361479772.db2.gz NMXNXKKYZSDKDR-INIZCTEOSA-N 1 2 298.390 0.954 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000598964616 361543560 /nfs/dbraw/zinc/54/35/60/361543560.db2.gz JCMLIPZXYNGYBW-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000598964616 361543566 /nfs/dbraw/zinc/54/35/66/361543566.db2.gz JCMLIPZXYNGYBW-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)CC#N ZINC000599075014 361565804 /nfs/dbraw/zinc/56/58/04/361565804.db2.gz ZUEBXRADYCQMQJ-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)CC#N ZINC000599075014 361565815 /nfs/dbraw/zinc/56/58/15/361565815.db2.gz ZUEBXRADYCQMQJ-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO Cc1nnc(NC[C@@H]2COCC[N@H+]2C)c(C#N)c1C ZINC000599160541 361592621 /nfs/dbraw/zinc/59/26/21/361592621.db2.gz MGQAUBAGYGDUHN-LLVKDONJSA-N 1 2 261.329 0.708 20 30 CCEDLO Cc1nnc(NC[C@@H]2COCC[N@@H+]2C)c(C#N)c1C ZINC000599160541 361592626 /nfs/dbraw/zinc/59/26/26/361592626.db2.gz MGQAUBAGYGDUHN-LLVKDONJSA-N 1 2 261.329 0.708 20 30 CCEDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1C#N ZINC000599351424 361664265 /nfs/dbraw/zinc/66/42/65/361664265.db2.gz DWAQKACDSUETRZ-ZDUSSCGKSA-N 1 2 287.363 0.892 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599390258 361681681 /nfs/dbraw/zinc/68/16/81/361681681.db2.gz JGHVTRUYMYEEJW-YPMHNXCESA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599390258 361681704 /nfs/dbraw/zinc/68/17/04/361681704.db2.gz JGHVTRUYMYEEJW-YPMHNXCESA-N 1 2 292.335 0.791 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599429780 361697801 /nfs/dbraw/zinc/69/78/01/361697801.db2.gz JUUCVRXRHGGJAO-SECBINFHSA-N 1 2 277.328 0.168 20 30 CCEDLO C=C1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631925650 370760987 /nfs/dbraw/zinc/76/09/87/370760987.db2.gz XXDAXBHOHBWANR-LBPRGKRZSA-N 1 2 274.386 0.299 20 30 CCEDLO C=C1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631925650 370760990 /nfs/dbraw/zinc/76/09/90/370760990.db2.gz XXDAXBHOHBWANR-LBPRGKRZSA-N 1 2 274.386 0.299 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#N)n1 ZINC000564943456 291322712 /nfs/dbraw/zinc/32/27/12/291322712.db2.gz VKDQQJUCYUJMBK-NSHDSACASA-N 1 2 289.339 0.795 20 30 CCEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000614924770 364786685 /nfs/dbraw/zinc/78/66/85/364786685.db2.gz LSTSJKRUHFYVOH-JTQLQIEISA-N 1 2 279.262 0.669 20 30 CCEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000614924770 364786691 /nfs/dbraw/zinc/78/66/91/364786691.db2.gz LSTSJKRUHFYVOH-JTQLQIEISA-N 1 2 279.262 0.669 20 30 CCEDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000615798693 365091983 /nfs/dbraw/zinc/09/19/83/365091983.db2.gz MNLHPMVVHNHGPE-GFCCVEGCSA-N 1 2 287.367 0.958 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616862039 365462831 /nfs/dbraw/zinc/46/28/31/365462831.db2.gz YKSYXHAZNDEQSG-UWVGGRQHSA-N 1 2 267.329 0.143 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624241775 367802169 /nfs/dbraw/zinc/80/21/69/367802169.db2.gz UNHSCIHZWUTOHY-AVGNSLFASA-N 1 2 283.372 0.207 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624241775 367802177 /nfs/dbraw/zinc/80/21/77/367802177.db2.gz UNHSCIHZWUTOHY-AVGNSLFASA-N 1 2 283.372 0.207 20 30 CCEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000625734491 368309944 /nfs/dbraw/zinc/30/99/44/368309944.db2.gz NGJNYFYBMISSPN-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000625734491 368309949 /nfs/dbraw/zinc/30/99/49/368309949.db2.gz NGJNYFYBMISSPN-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921016 369466109 /nfs/dbraw/zinc/46/61/09/369466109.db2.gz ZYWAKHCDOIVXCK-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921016 369466113 /nfs/dbraw/zinc/46/61/13/369466113.db2.gz ZYWAKHCDOIVXCK-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@@H+](CCc1ccnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000276330193 193289828 /nfs/dbraw/zinc/28/98/28/193289828.db2.gz QTLXSPKZJQAQDP-CYBMUJFWSA-N 1 2 283.397 0.638 20 30 CCEDLO C=CC[N@H+](CCc1ccnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000276330193 193289830 /nfs/dbraw/zinc/28/98/30/193289830.db2.gz QTLXSPKZJQAQDP-CYBMUJFWSA-N 1 2 283.397 0.638 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635402609 372490918 /nfs/dbraw/zinc/49/09/18/372490918.db2.gz SGCUTAODLXUONT-GHMZBOCLSA-N 1 2 274.386 0.138 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636931402 373829307 /nfs/dbraw/zinc/82/93/07/373829307.db2.gz QWWNPYAZHHTTJT-LLVKDONJSA-N 1 2 264.329 0.700 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637033508 373889739 /nfs/dbraw/zinc/88/97/39/373889739.db2.gz YJPRAVZZMKUAJZ-SNVBAGLBSA-N 1 2 250.302 0.310 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCC2)nn1 ZINC000640770317 376528573 /nfs/dbraw/zinc/52/85/73/376528573.db2.gz XGZCQVGQXLBZAZ-UHFFFAOYSA-N 1 2 261.329 0.013 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264428870 190108883 /nfs/dbraw/zinc/10/88/83/190108883.db2.gz WRCMQFHKQHXNGM-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264428870 190108884 /nfs/dbraw/zinc/10/88/84/190108884.db2.gz WRCMQFHKQHXNGM-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOCC(F)(F)F)nn1 ZINC000640985195 376648472 /nfs/dbraw/zinc/64/84/72/376648472.db2.gz FSRGYNPEXGLFRP-UHFFFAOYSA-N 1 2 276.262 0.970 20 30 CCEDLO C=CCOCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641030246 376686920 /nfs/dbraw/zinc/68/69/20/376686920.db2.gz VXENEONDTUEJTP-UHFFFAOYSA-N 1 2 254.334 0.559 20 30 CCEDLO C=CCOCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000641030246 376686923 /nfs/dbraw/zinc/68/69/23/376686923.db2.gz VXENEONDTUEJTP-UHFFFAOYSA-N 1 2 254.334 0.559 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnnn2C2CC2)nn1 ZINC000641163680 376829578 /nfs/dbraw/zinc/82/95/78/376829578.db2.gz ACXBVAGDMKFFCA-JTQLQIEISA-N 1 2 286.343 0.322 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nccnc2C)nn1 ZINC000641166908 376834114 /nfs/dbraw/zinc/83/41/14/376834114.db2.gz UBSINMBNACVTOU-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO CCNC(=O)C1C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000459603156 249045951 /nfs/dbraw/zinc/04/59/51/249045951.db2.gz HCQUPQZDJVLDED-UHFFFAOYSA-N 1 2 283.335 0.774 20 30 CCEDLO C[C@H]([C@H](C)Nc1ncncc1C#N)[NH+]1CCOCC1 ZINC000514724439 249100652 /nfs/dbraw/zinc/10/06/52/249100652.db2.gz KZHHLXHLSXBUBY-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1C#N ZINC000516148044 249152584 /nfs/dbraw/zinc/15/25/84/249152584.db2.gz OHXPLBBSTHVAGW-GFCCVEGCSA-N 1 2 290.319 0.538 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@H](O)C2)c1C#N ZINC000516148044 249152586 /nfs/dbraw/zinc/15/25/86/249152586.db2.gz OHXPLBBSTHVAGW-GFCCVEGCSA-N 1 2 290.319 0.538 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647227 190196461 /nfs/dbraw/zinc/19/64/61/190196461.db2.gz MEMWVRUZCZKKAZ-GFCCVEGCSA-N 1 2 265.357 0.350 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647227 190196462 /nfs/dbraw/zinc/19/64/62/190196462.db2.gz MEMWVRUZCZKKAZ-GFCCVEGCSA-N 1 2 265.357 0.350 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657088450 412885858 /nfs/dbraw/zinc/88/58/58/412885858.db2.gz CNFTYYLODUGWMX-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657088450 412885861 /nfs/dbraw/zinc/88/58/61/412885861.db2.gz CNFTYYLODUGWMX-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO CNC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000267089391 190302718 /nfs/dbraw/zinc/30/27/18/190302718.db2.gz UACFQYPTDUOTFZ-UHFFFAOYSA-N 1 2 288.351 0.894 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000267323802 190321473 /nfs/dbraw/zinc/32/14/73/190321473.db2.gz PFINZDSXXNBPGD-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000267323802 190321474 /nfs/dbraw/zinc/32/14/74/190321474.db2.gz PFINZDSXXNBPGD-UHFFFAOYSA-N 1 2 295.364 0.752 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)N(C)CC)nn1 ZINC000657440333 412991792 /nfs/dbraw/zinc/99/17/92/412991792.db2.gz WKTZQSSNWQNSCX-UHFFFAOYSA-N 1 2 251.334 0.422 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495753 388754940 /nfs/dbraw/zinc/75/49/40/388754940.db2.gz QHIFPQIYIAYAHD-MROQNXINSA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495753 388754943 /nfs/dbraw/zinc/75/49/43/388754943.db2.gz QHIFPQIYIAYAHD-MROQNXINSA-N 1 2 296.367 0.472 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000184480468 388774068 /nfs/dbraw/zinc/77/40/68/388774068.db2.gz NBGITTXHOOBTLV-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000186258690 388830592 /nfs/dbraw/zinc/83/05/92/388830592.db2.gz VDNPNUNAMFPIQQ-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000186258690 388830595 /nfs/dbraw/zinc/83/05/95/388830595.db2.gz VDNPNUNAMFPIQQ-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539356 388945381 /nfs/dbraw/zinc/94/53/81/388945381.db2.gz NSEVVUHWXUCIPW-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539356 388945384 /nfs/dbraw/zinc/94/53/84/388945384.db2.gz NSEVVUHWXUCIPW-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000293058504 388978217 /nfs/dbraw/zinc/97/82/17/388978217.db2.gz IIDFHHOBWPKYOR-UHFFFAOYSA-N 1 2 274.320 0.987 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000293058504 388978220 /nfs/dbraw/zinc/97/82/20/388978220.db2.gz IIDFHHOBWPKYOR-UHFFFAOYSA-N 1 2 274.320 0.987 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](CC(=O)OCC)C1CC1 ZINC000293082933 388978713 /nfs/dbraw/zinc/97/87/13/388978713.db2.gz MOJNQNKFXGKXQH-UHFFFAOYSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)CC[N@H+](CC(=O)OCC)C1CC1 ZINC000293082933 388978716 /nfs/dbraw/zinc/97/87/16/388978716.db2.gz MOJNQNKFXGKXQH-UHFFFAOYSA-N 1 2 252.314 0.153 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192172684 389028444 /nfs/dbraw/zinc/02/84/44/389028444.db2.gz ZHFJIIBSNSIWDL-CQSZACIVSA-N 1 2 258.321 0.485 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192172684 389028446 /nfs/dbraw/zinc/02/84/46/389028446.db2.gz ZHFJIIBSNSIWDL-CQSZACIVSA-N 1 2 258.321 0.485 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000336909434 389030683 /nfs/dbraw/zinc/03/06/83/389030683.db2.gz GZZFBLNMFJVSST-NSHDSACASA-N 1 2 285.373 0.342 20 30 CCEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](C(N)=O)O1 ZINC000192071501 389025003 /nfs/dbraw/zinc/02/50/03/389025003.db2.gz OSWPJVPNLVVDIE-TZMCWYRMSA-N 1 2 258.321 0.613 20 30 CCEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](C(N)=O)O1 ZINC000192071501 389025009 /nfs/dbraw/zinc/02/50/09/389025009.db2.gz OSWPJVPNLVVDIE-TZMCWYRMSA-N 1 2 258.321 0.613 20 30 CCEDLO CCCNC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000096971613 389066314 /nfs/dbraw/zinc/06/63/14/389066314.db2.gz OHHUOIBUDQPVHW-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)/N=C/c1ccc(O)c(O)c1O ZINC000106586431 389093587 /nfs/dbraw/zinc/09/35/87/389093587.db2.gz ASBOJXJEJAXDFH-LKBVRNOZSA-N 1 2 293.367 0.858 20 30 CCEDLO Cc1cc(=NC(=O)NCc2ccc(N)[nH+]c2)[nH]n1CCC#N ZINC000338422002 389111376 /nfs/dbraw/zinc/11/13/76/389111376.db2.gz JJKZYKDHBJTEHS-UHFFFAOYSA-N 1 2 299.338 0.656 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586856 389112873 /nfs/dbraw/zinc/11/28/73/389112873.db2.gz JPFMSMWJHLFHEC-ZDUSSCGKSA-N 1 2 282.319 0.049 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338586856 389112875 /nfs/dbraw/zinc/11/28/75/389112875.db2.gz JPFMSMWJHLFHEC-ZDUSSCGKSA-N 1 2 282.319 0.049 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@H+](CCOCCC#N)[C@@H]1C(=O)OC ZINC000339048438 389123391 /nfs/dbraw/zinc/12/33/91/389123391.db2.gz WKJGSSXTBQOTBS-NEPJUHHUSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOCCC#N)[C@@H]1C(=O)OC ZINC000339048438 389123394 /nfs/dbraw/zinc/12/33/94/389123394.db2.gz WKJGSSXTBQOTBS-NEPJUHHUSA-N 1 2 298.339 0.343 20 30 CCEDLO C[C@@H](O)C[N@H+](Cc1nc(C#N)cs1)[C@H](C)CO ZINC000356394052 389124111 /nfs/dbraw/zinc/12/41/11/389124111.db2.gz LXWWCCJLWOKOAH-RKDXNWHRSA-N 1 2 255.343 0.578 20 30 CCEDLO C[C@@H](O)C[N@@H+](Cc1nc(C#N)cs1)[C@H](C)CO ZINC000356394052 389124115 /nfs/dbraw/zinc/12/41/15/389124115.db2.gz LXWWCCJLWOKOAH-RKDXNWHRSA-N 1 2 255.343 0.578 20 30 CCEDLO C[C@H](O)C[N@H+](Cc1nc(C#N)cs1)[C@@H](C)CO ZINC000356394049 389124166 /nfs/dbraw/zinc/12/41/66/389124166.db2.gz LXWWCCJLWOKOAH-IUCAKERBSA-N 1 2 255.343 0.578 20 30 CCEDLO C[C@H](O)C[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)CO ZINC000356394049 389124170 /nfs/dbraw/zinc/12/41/70/389124170.db2.gz LXWWCCJLWOKOAH-IUCAKERBSA-N 1 2 255.343 0.578 20 30 CCEDLO O=C(NC[C@H](O)C1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328750487 389135655 /nfs/dbraw/zinc/13/56/55/389135655.db2.gz RFZVJSKETKLZRC-OLZOCXBDSA-N 1 2 290.367 0.935 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000328878939 389142322 /nfs/dbraw/zinc/14/23/22/389142322.db2.gz UXXRZFVGTAWNPJ-DLOVCJGASA-N 1 2 279.344 0.400 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cn[nH]c1 ZINC000328878939 389142324 /nfs/dbraw/zinc/14/23/24/389142324.db2.gz UXXRZFVGTAWNPJ-DLOVCJGASA-N 1 2 279.344 0.400 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000359674204 389181030 /nfs/dbraw/zinc/18/10/30/389181030.db2.gz AHPNBSWRSVUQHR-OLZOCXBDSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000359674204 389181035 /nfs/dbraw/zinc/18/10/35/389181035.db2.gz AHPNBSWRSVUQHR-OLZOCXBDSA-N 1 2 268.405 0.886 20 30 CCEDLO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000329728616 389193547 /nfs/dbraw/zinc/19/35/47/389193547.db2.gz CRPLSXMLNLMKGY-WCBMZHEXSA-N 1 2 299.400 0.742 20 30 CCEDLO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000329728616 389193549 /nfs/dbraw/zinc/19/35/49/389193549.db2.gz CRPLSXMLNLMKGY-WCBMZHEXSA-N 1 2 299.400 0.742 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000342157994 389199082 /nfs/dbraw/zinc/19/90/82/389199082.db2.gz HUWANUCQRGCPNE-VXGBXAGGSA-N 1 2 263.341 0.746 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000358560439 389155154 /nfs/dbraw/zinc/15/51/54/389155154.db2.gz SVEUAAIAHCSLNR-GFCCVEGCSA-N 1 2 290.367 0.897 20 30 CCEDLO O=C(CN1CCn2cc[nH+]c2C1)NC[C@@H]1CCCO1 ZINC000329354753 389159014 /nfs/dbraw/zinc/15/90/14/389159014.db2.gz VNQNMHKAXSLSLH-NSHDSACASA-N 1 2 264.329 0.834 20 30 CCEDLO C[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000329820864 389204245 /nfs/dbraw/zinc/20/42/45/389204245.db2.gz POYPMEVBSKNIGR-UPJWGTAASA-N 1 2 283.372 0.484 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOCC2(CC2)C1 ZINC000329442332 389164280 /nfs/dbraw/zinc/16/42/80/389164280.db2.gz KFSNZJPWZQBDSQ-CYBMUJFWSA-N 1 2 297.399 0.734 20 30 CCEDLO C=CCNC(=O)CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358988623 389164863 /nfs/dbraw/zinc/16/48/63/389164863.db2.gz LYIVPAJEWDDITR-ZDUSSCGKSA-N 1 2 271.324 0.786 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125312662 389165334 /nfs/dbraw/zinc/16/53/34/389165334.db2.gz IZMSLVCVQIJNOC-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125312662 389165337 /nfs/dbraw/zinc/16/53/37/389165337.db2.gz IZMSLVCVQIJNOC-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000235628943 389166574 /nfs/dbraw/zinc/16/65/74/389166574.db2.gz QZNVRKWDWORDKX-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000235628943 389166577 /nfs/dbraw/zinc/16/65/77/389166577.db2.gz QZNVRKWDWORDKX-JTQLQIEISA-N 1 2 280.353 0.278 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329561925 389171219 /nfs/dbraw/zinc/17/12/19/389171219.db2.gz MYFUEGONCJZXOX-MNOVXSKESA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329561925 389171221 /nfs/dbraw/zinc/17/12/21/389171221.db2.gz MYFUEGONCJZXOX-MNOVXSKESA-N 1 2 293.327 0.046 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330565288 389241422 /nfs/dbraw/zinc/24/14/22/389241422.db2.gz LXJGBCAKJHIBMA-SRVKXCTJSA-N 1 2 271.336 0.399 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330565288 389241423 /nfs/dbraw/zinc/24/14/23/389241423.db2.gz LXJGBCAKJHIBMA-SRVKXCTJSA-N 1 2 271.336 0.399 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000330614904 389246306 /nfs/dbraw/zinc/24/63/06/389246306.db2.gz SVWBHNKTERRGRW-NWDGAFQWSA-N 1 2 295.383 0.878 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000330614904 389246308 /nfs/dbraw/zinc/24/63/08/389246308.db2.gz SVWBHNKTERRGRW-NWDGAFQWSA-N 1 2 295.383 0.878 20 30 CCEDLO C=CCOCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363715760 389253029 /nfs/dbraw/zinc/25/30/29/389253029.db2.gz VOWKTQMMICOYHG-UHFFFAOYSA-N 1 2 268.357 0.560 20 30 CCEDLO CC#CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000136002179 389263395 /nfs/dbraw/zinc/26/33/95/389263395.db2.gz NMJIPYRBWXUGOQ-UHFFFAOYSA-N 1 2 258.325 0.937 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccc(F)cc1 ZINC000136066776 389264400 /nfs/dbraw/zinc/26/44/00/389264400.db2.gz YOPUCBJVJPREFM-UHFFFAOYSA-N 1 2 269.276 0.113 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329952132 389213692 /nfs/dbraw/zinc/21/36/92/389213692.db2.gz IQGNVAAECKMRPA-QWRGUYRKSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329952132 389213694 /nfs/dbraw/zinc/21/36/94/389213694.db2.gz IQGNVAAECKMRPA-QWRGUYRKSA-N 1 2 293.327 0.046 20 30 CCEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCC[C@H](O)C1 ZINC000330458313 389231479 /nfs/dbraw/zinc/23/14/79/389231479.db2.gz YUZJBFPUDITTIK-LBPRGKRZSA-N 1 2 266.345 0.952 20 30 CCEDLO CC[C@@H](C(=O)N(C)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330467020 389233183 /nfs/dbraw/zinc/23/31/83/389233183.db2.gz XURCHBXJTBGQRZ-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H](C(=O)N(C)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330467020 389233186 /nfs/dbraw/zinc/23/31/86/389233186.db2.gz XURCHBXJTBGQRZ-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CCn1nncc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330474861 389233651 /nfs/dbraw/zinc/23/36/51/389233651.db2.gz DVJRONYFRAYNJF-MNOVXSKESA-N 1 2 281.360 0.712 20 30 CCEDLO CCN(CCO)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330507383 389236715 /nfs/dbraw/zinc/23/67/15/389236715.db2.gz FMRKAHJBBMPXJO-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CCN(CCO)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330507383 389236717 /nfs/dbraw/zinc/23/67/17/389236717.db2.gz FMRKAHJBBMPXJO-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NCC#N ZINC000330543231 389239413 /nfs/dbraw/zinc/23/94/13/389239413.db2.gz AWNCTWDROYBAGG-FRRDWIJNSA-N 1 2 281.356 0.142 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NCC#N ZINC000330543231 389239415 /nfs/dbraw/zinc/23/94/15/389239415.db2.gz AWNCTWDROYBAGG-FRRDWIJNSA-N 1 2 281.356 0.142 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)NCCCC#N)CC2)cn1 ZINC000345809513 389315161 /nfs/dbraw/zinc/31/51/61/389315161.db2.gz DSLGODBWPCFLJA-UHFFFAOYSA-N 1 2 290.371 0.551 20 30 CCEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](CCO)CC2)c(F)c1 ZINC000154853959 389315557 /nfs/dbraw/zinc/31/55/57/389315557.db2.gz HRFIAAVDFIRQFQ-UHFFFAOYSA-N 1 2 295.289 0.587 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345840230 389316504 /nfs/dbraw/zinc/31/65/04/389316504.db2.gz HSVZLHXWEKJFOC-CYBMUJFWSA-N 1 2 294.355 0.738 20 30 CCEDLO N#CCC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367101385 389320941 /nfs/dbraw/zinc/32/09/41/389320941.db2.gz SOFYUUQSQMSIKJ-UHFFFAOYSA-N 1 2 271.386 0.790 20 30 CCEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000157683483 389332818 /nfs/dbraw/zinc/33/28/18/389332818.db2.gz IUJFGZDUFAUWHX-OAHLLOKOSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000157683483 389332821 /nfs/dbraw/zinc/33/28/21/389332821.db2.gz IUJFGZDUFAUWHX-OAHLLOKOSA-N 1 2 294.399 0.499 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000346833522 389338921 /nfs/dbraw/zinc/33/89/21/389338921.db2.gz QQBBOCVUKXMADR-UHFFFAOYSA-N 1 2 287.323 0.436 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366042831 389292158 /nfs/dbraw/zinc/29/21/58/389292158.db2.gz UPLKRYNODJLAIM-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000349571794 389418645 /nfs/dbraw/zinc/41/86/45/389418645.db2.gz XIQCSJLPPIYYON-NSHDSACASA-N 1 2 299.396 0.339 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347182715 389347703 /nfs/dbraw/zinc/34/77/03/389347703.db2.gz AGNGLJMKESATFY-WDEREUQCSA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(C)(C)C#N ZINC000347182715 389347707 /nfs/dbraw/zinc/34/77/07/389347707.db2.gz AGNGLJMKESATFY-WDEREUQCSA-N 1 2 254.330 0.925 20 30 CCEDLO C#CCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264994509 389356741 /nfs/dbraw/zinc/35/67/41/389356741.db2.gz XQHPHTVSMSYNJA-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO Cc1nc(C)c(CO[NH+]=C(N)CN2CCOCC2)s1 ZINC000266346287 389365880 /nfs/dbraw/zinc/36/58/80/389365880.db2.gz WKBARNKAOKHWGU-UHFFFAOYSA-N 1 2 284.385 0.881 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C1CC1 ZINC000274040750 389480263 /nfs/dbraw/zinc/48/02/63/389480263.db2.gz FETQZDJAQMRRMM-CYBMUJFWSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C1CC1 ZINC000274040750 389480264 /nfs/dbraw/zinc/48/02/64/389480264.db2.gz FETQZDJAQMRRMM-CYBMUJFWSA-N 1 2 277.368 0.211 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000270680679 389435805 /nfs/dbraw/zinc/43/58/05/389435805.db2.gz UQAIAZLWMTUTDG-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000270680679 389435813 /nfs/dbraw/zinc/43/58/13/389435813.db2.gz UQAIAZLWMTUTDG-LLVKDONJSA-N 1 2 262.288 0.940 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC000271946820 389449988 /nfs/dbraw/zinc/44/99/88/389449988.db2.gz YCHPGISUOKQOTD-UHFFFAOYSA-N 1 2 272.352 0.875 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249583 389612025 /nfs/dbraw/zinc/61/20/25/389612025.db2.gz GSAKDHDGEILGLY-OLZOCXBDSA-N 1 2 281.400 0.960 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249583 389612026 /nfs/dbraw/zinc/61/20/26/389612026.db2.gz GSAKDHDGEILGLY-OLZOCXBDSA-N 1 2 281.400 0.960 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]21 ZINC000351701221 389660578 /nfs/dbraw/zinc/66/05/78/389660578.db2.gz BGRJSWCMBRFDHP-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]21 ZINC000351701221 389660582 /nfs/dbraw/zinc/66/05/82/389660582.db2.gz BGRJSWCMBRFDHP-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000181307034 389684122 /nfs/dbraw/zinc/68/41/22/389684122.db2.gz SBPSQCROHTVMSY-WDEREUQCSA-N 1 2 274.386 0.186 20 30 CCEDLO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000181307034 389684123 /nfs/dbraw/zinc/68/41/23/389684123.db2.gz SBPSQCROHTVMSY-WDEREUQCSA-N 1 2 274.386 0.186 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000428378810 389695376 /nfs/dbraw/zinc/69/53/76/389695376.db2.gz IYBWITAFWZIXSO-LLVKDONJSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000428378810 389695378 /nfs/dbraw/zinc/69/53/78/389695378.db2.gz IYBWITAFWZIXSO-LLVKDONJSA-N 1 2 297.355 0.950 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)CCC1 ZINC000375636301 389695452 /nfs/dbraw/zinc/69/54/52/389695452.db2.gz LGHRNTWESTWCEK-OAHLLOKOSA-N 1 2 293.367 0.430 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)CCC1 ZINC000375636301 389695454 /nfs/dbraw/zinc/69/54/54/389695454.db2.gz LGHRNTWESTWCEK-OAHLLOKOSA-N 1 2 293.367 0.430 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@@H](O)C2)CCCCC1 ZINC000399876058 389794765 /nfs/dbraw/zinc/79/47/65/389794765.db2.gz WEYZESPFOPJNBT-LBPRGKRZSA-N 1 2 281.356 0.022 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@@H](O)C2)CCCCC1 ZINC000399876058 389794768 /nfs/dbraw/zinc/79/47/68/389794768.db2.gz WEYZESPFOPJNBT-LBPRGKRZSA-N 1 2 281.356 0.022 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376317154 389733393 /nfs/dbraw/zinc/73/33/93/389733393.db2.gz SGOWADGPBYHXGH-CYBMUJFWSA-N 1 2 286.397 0.136 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429176517 389742839 /nfs/dbraw/zinc/74/28/39/389742839.db2.gz OLGUUPCPIUPUNB-ZDUSSCGKSA-N 1 2 268.361 0.238 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429176517 389742840 /nfs/dbraw/zinc/74/28/40/389742840.db2.gz OLGUUPCPIUPUNB-ZDUSSCGKSA-N 1 2 268.361 0.238 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352468450 389815524 /nfs/dbraw/zinc/81/55/24/389815524.db2.gz SIBITDYRKYKVSE-UHFFFAOYSA-N 1 2 270.308 0.550 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000442655963 389853511 /nfs/dbraw/zinc/85/35/11/389853511.db2.gz STMWPEJVRJKSTK-HNNXBMFYSA-N 1 2 297.399 0.153 20 30 CCEDLO C[N@H+](CC(=O)NC[C@H]1CCCO1)CC(C)(C)C#N ZINC000433289824 389907550 /nfs/dbraw/zinc/90/75/50/389907550.db2.gz RESRTRPQAPGBKY-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@H]1CCCO1)CC(C)(C)C#N ZINC000433289824 389907552 /nfs/dbraw/zinc/90/75/52/389907552.db2.gz RESRTRPQAPGBKY-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000420943567 390039348 /nfs/dbraw/zinc/03/93/48/390039348.db2.gz RIOPVSIKSLKVQB-RYUDHWBXSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CO)OC(C)(C)C2)C1=O ZINC000420943567 390039349 /nfs/dbraw/zinc/03/93/49/390039349.db2.gz RIOPVSIKSLKVQB-RYUDHWBXSA-N 1 2 268.357 0.245 20 30 CCEDLO N#CCCn1ccc(=NC(=O)NCc2ccc(N)[nH+]c2)[nH]1 ZINC000448541025 389986365 /nfs/dbraw/zinc/98/63/65/389986365.db2.gz DHKCPAXKZIGGNS-UHFFFAOYSA-N 1 2 285.311 0.348 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000420446878 390005875 /nfs/dbraw/zinc/00/58/75/390005875.db2.gz UOHRCYCBSUCWAG-CYBMUJFWSA-N 1 2 297.355 0.880 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)COCC)[C@H]1CCS(=O)(=O)C1 ZINC000440295709 390034614 /nfs/dbraw/zinc/03/46/14/390034614.db2.gz NQDGAMMIGHRGOW-NWDGAFQWSA-N 1 2 277.386 0.059 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)COCC)[C@H]1CCS(=O)(=O)C1 ZINC000440295709 390034615 /nfs/dbraw/zinc/03/46/15/390034615.db2.gz NQDGAMMIGHRGOW-NWDGAFQWSA-N 1 2 277.386 0.059 20 30 CCEDLO C[N@H+](CCOCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459451628 390074776 /nfs/dbraw/zinc/07/47/76/390074776.db2.gz QFNZNAQYBPMPAJ-UHFFFAOYSA-N 1 2 279.296 0.907 20 30 CCEDLO C[N@@H+](CCOCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459451628 390074777 /nfs/dbraw/zinc/07/47/77/390074777.db2.gz QFNZNAQYBPMPAJ-UHFFFAOYSA-N 1 2 279.296 0.907 20 30 CCEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000493100785 390118940 /nfs/dbraw/zinc/11/89/40/390118940.db2.gz ZXWYPTGKDPTHCL-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000493100785 390118941 /nfs/dbraw/zinc/11/89/41/390118941.db2.gz ZXWYPTGKDPTHCL-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000491071197 390109562 /nfs/dbraw/zinc/10/95/62/390109562.db2.gz ILTLXULEKKSCFQ-UHFFFAOYSA-N 1 2 296.374 0.425 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000491327253 390111935 /nfs/dbraw/zinc/11/19/35/390111935.db2.gz UURHAECMHBRBKI-SNVBAGLBSA-N 1 2 277.324 0.631 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000491327253 390111936 /nfs/dbraw/zinc/11/19/36/390111936.db2.gz UURHAECMHBRBKI-SNVBAGLBSA-N 1 2 277.324 0.631 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000491495381 390114221 /nfs/dbraw/zinc/11/42/21/390114221.db2.gz ITRCTTMTPCNTHL-LBPRGKRZSA-N 1 2 267.373 0.361 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000491495381 390114222 /nfs/dbraw/zinc/11/42/22/390114222.db2.gz ITRCTTMTPCNTHL-LBPRGKRZSA-N 1 2 267.373 0.361 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000535207521 390141085 /nfs/dbraw/zinc/14/10/85/390141085.db2.gz SFPRVDHXRRAUDF-NSHDSACASA-N 1 2 260.293 0.911 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000535207521 390141088 /nfs/dbraw/zinc/14/10/88/390141088.db2.gz SFPRVDHXRRAUDF-NSHDSACASA-N 1 2 260.293 0.911 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000494660044 390190736 /nfs/dbraw/zinc/19/07/36/390190736.db2.gz DPPTXFXSUBUFAM-CHWSQXEVSA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000494660044 390190737 /nfs/dbraw/zinc/19/07/37/390190737.db2.gz DPPTXFXSUBUFAM-CHWSQXEVSA-N 1 2 271.320 0.541 20 30 CCEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000579719227 390203215 /nfs/dbraw/zinc/20/32/15/390203215.db2.gz QIUNCLBOLCZSKR-SBFPOUOMSA-N 1 2 253.346 0.760 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000580103848 390221203 /nfs/dbraw/zinc/22/12/03/390221203.db2.gz ZJJXSGQBTAFCIB-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000580103848 390221204 /nfs/dbraw/zinc/22/12/04/390221204.db2.gz ZJJXSGQBTAFCIB-JTQLQIEISA-N 1 2 267.292 0.964 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1C#N ZINC000495849039 390255379 /nfs/dbraw/zinc/25/53/79/390255379.db2.gz MHJVEPSQHQQISE-LBPRGKRZSA-N 1 2 274.324 0.923 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1C#N ZINC000495849039 390255387 /nfs/dbraw/zinc/25/53/87/390255387.db2.gz MHJVEPSQHQQISE-LBPRGKRZSA-N 1 2 274.324 0.923 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000582071244 390258436 /nfs/dbraw/zinc/25/84/36/390258436.db2.gz MIEXWBQIVPYQSX-SNVBAGLBSA-N 1 2 269.345 0.726 20 30 CCEDLO N#Cc1cnccc1Nc1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000545239819 390319482 /nfs/dbraw/zinc/31/94/82/390319482.db2.gz LPYCMZJUGSNGRX-UHFFFAOYSA-N 1 2 294.318 0.450 20 30 CCEDLO C=CCCOCC(=O)NCc1c[nH+]c(C)nc1N ZINC000648901963 390439782 /nfs/dbraw/zinc/43/97/82/390439782.db2.gz VCFBQRRJITXQNP-UHFFFAOYSA-N 1 2 250.302 0.406 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496910246 390383763 /nfs/dbraw/zinc/38/37/63/390383763.db2.gz JELYERPKYONNFD-SNVBAGLBSA-N 1 2 257.334 0.717 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496910246 390383768 /nfs/dbraw/zinc/38/37/68/390383768.db2.gz JELYERPKYONNFD-SNVBAGLBSA-N 1 2 257.334 0.717 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000565228721 390500569 /nfs/dbraw/zinc/50/05/69/390500569.db2.gz HSEAXNHSYACVKF-VHSXEESVSA-N 1 2 264.329 0.882 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc(N)c1OC ZINC000565228721 390500572 /nfs/dbraw/zinc/50/05/72/390500572.db2.gz HSEAXNHSYACVKF-VHSXEESVSA-N 1 2 264.329 0.882 20 30 CCEDLO CN(C)c1ccc(CNc2cc(C#N)ncn2)c[nH+]1 ZINC000556681723 390485610 /nfs/dbraw/zinc/48/56/10/390485610.db2.gz ZLBACZCNVJVSQG-UHFFFAOYSA-N 1 2 254.297 0.843 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1ncnn1C(C)(C)C ZINC000566128838 390582112 /nfs/dbraw/zinc/58/21/12/390582112.db2.gz MMWHWYZFWNUQNY-GFCCVEGCSA-N 1 2 294.403 0.329 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1ncnn1C(C)(C)C ZINC000566128838 390582115 /nfs/dbraw/zinc/58/21/15/390582115.db2.gz MMWHWYZFWNUQNY-GFCCVEGCSA-N 1 2 294.403 0.329 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000565829447 390549475 /nfs/dbraw/zinc/54/94/75/390549475.db2.gz QMYOJKOTDYRFFG-JTQLQIEISA-N 1 2 286.339 0.865 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000565829447 390549482 /nfs/dbraw/zinc/54/94/82/390549482.db2.gz QMYOJKOTDYRFFG-JTQLQIEISA-N 1 2 286.339 0.865 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000649386594 390613866 /nfs/dbraw/zinc/61/38/66/390613866.db2.gz WNBXPTYXECMEQP-SECBINFHSA-N 1 2 269.374 0.010 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)n1 ZINC000527384920 390704799 /nfs/dbraw/zinc/70/47/99/390704799.db2.gz ZLGNWOQAZBGMGZ-QMMMGPOBSA-N 1 2 263.301 0.591 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000646680406 390708103 /nfs/dbraw/zinc/70/81/03/390708103.db2.gz GWFSALYMXWBKDR-AAEUAGOBSA-N 1 2 291.351 0.470 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000569072969 390715452 /nfs/dbraw/zinc/71/54/52/390715452.db2.gz DXJAHRCEQAHNGP-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO CCCCNC(=O)NC(=O)C[NH2+][C@H](CC)CC#N ZINC000570341224 390718227 /nfs/dbraw/zinc/71/82/27/390718227.db2.gz DPXGQDDRIGPYRV-SNVBAGLBSA-N 1 2 254.334 0.894 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000526057953 390675382 /nfs/dbraw/zinc/67/53/82/390675382.db2.gz FWXRNRNFYFLPEC-DTWKUNHWSA-N 1 2 277.328 0.980 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528628805 390764556 /nfs/dbraw/zinc/76/45/56/390764556.db2.gz MHNDZTUOSKCDHX-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528628805 390764558 /nfs/dbraw/zinc/76/45/58/390764558.db2.gz MHNDZTUOSKCDHX-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](COCC)C2)C1=O ZINC000528732103 390772052 /nfs/dbraw/zinc/77/20/52/390772052.db2.gz NNUKDRMWVTZVBM-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](COCC)C2)C1=O ZINC000528732103 390772053 /nfs/dbraw/zinc/77/20/53/390772053.db2.gz NNUKDRMWVTZVBM-QWHCGFSZSA-N 1 2 268.357 0.511 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000533545624 390885508 /nfs/dbraw/zinc/88/55/08/390885508.db2.gz RUBFLMDEQBAYGT-GHMZBOCLSA-N 1 2 270.358 0.053 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000533545624 390885511 /nfs/dbraw/zinc/88/55/11/390885511.db2.gz RUBFLMDEQBAYGT-GHMZBOCLSA-N 1 2 270.358 0.053 20 30 CCEDLO COC(=O)CN(CC#N)Cc1[nH+]ccc(OC)c1OC ZINC000354840441 533490062 /nfs/dbraw/zinc/49/00/62/533490062.db2.gz DIOJDWHTEFZPIT-UHFFFAOYSA-N 1 2 279.296 0.597 20 30 CCEDLO Cn1ncc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1C#N ZINC000356647036 144022528 /nfs/dbraw/zinc/02/25/28/144022528.db2.gz FJGOQBZAHYHHQZ-JTQLQIEISA-N 1 2 270.296 0.992 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)c2ccc3c[nH+]cn3c2)c1C#N ZINC000357244471 144073388 /nfs/dbraw/zinc/07/33/88/144073388.db2.gz OJOLMOPBULEUAJ-UHFFFAOYSA-N 1 2 266.264 0.912 20 30 CCEDLO C[C@H]1CN(C(=O)c2cnccc2C#N)CC[N@@H+]1CCO ZINC000359003124 144189504 /nfs/dbraw/zinc/18/95/04/144189504.db2.gz PIJWAQJUARHMRU-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@H]1CN(C(=O)c2cnccc2C#N)CC[N@H+]1CCO ZINC000359003124 144189505 /nfs/dbraw/zinc/18/95/05/144189505.db2.gz PIJWAQJUARHMRU-NSHDSACASA-N 1 2 274.324 0.092 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000368680646 144239696 /nfs/dbraw/zinc/23/96/96/144239696.db2.gz OKLHIOYXJQYRQA-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000368680646 144239697 /nfs/dbraw/zinc/23/96/97/144239697.db2.gz OKLHIOYXJQYRQA-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3C[C@@H]4COC[C@H](C3)O4)n2c1 ZINC000549819850 286100664 /nfs/dbraw/zinc/10/06/64/286100664.db2.gz ABPMGWPYXIBTHQ-OKILXGFUSA-N 1 2 284.319 0.806 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000044766326 411632867 /nfs/dbraw/zinc/63/28/67/411632867.db2.gz LFXGLUBUGDVRGC-UHFFFAOYSA-N 1 2 263.341 0.613 20 30 CCEDLO C=C(CC)CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651143537 411847239 /nfs/dbraw/zinc/84/72/39/411847239.db2.gz AQKNHPLBSFDXES-UHFFFAOYSA-N 1 2 299.415 0.943 20 30 CCEDLO Cn1cc(CN2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000284506590 196071770 /nfs/dbraw/zinc/07/17/70/196071770.db2.gz YALIIRGJICHFMC-LSDHHAIUSA-N 1 2 274.368 0.802 20 30 CCEDLO Cn1cc(CN2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000284506590 196071772 /nfs/dbraw/zinc/07/17/72/196071772.db2.gz YALIIRGJICHFMC-LSDHHAIUSA-N 1 2 274.368 0.802 20 30 CCEDLO C=CCCn1cc(CN(C)CC[NH+]2CCOCC2)nn1 ZINC000653542583 412314134 /nfs/dbraw/zinc/31/41/34/412314134.db2.gz VOPYKIDPTUJJGU-UHFFFAOYSA-N 1 2 279.388 0.618 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)nn1 ZINC000653623636 412325730 /nfs/dbraw/zinc/32/57/30/412325730.db2.gz KJTUIXXGHSCMPD-ZDUSSCGKSA-N 1 2 273.344 0.893 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](n3cncn3)C2)nn1 ZINC000653623636 412325732 /nfs/dbraw/zinc/32/57/32/412325732.db2.gz KJTUIXXGHSCMPD-ZDUSSCGKSA-N 1 2 273.344 0.893 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000653756598 412341995 /nfs/dbraw/zinc/34/19/95/412341995.db2.gz DSCFDOLJEVYNHW-DGCLKSJQSA-N 1 2 253.346 0.998 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)nn1 ZINC000653768587 412342894 /nfs/dbraw/zinc/34/28/94/412342894.db2.gz SCEUYVKNWHRYJV-LBPRGKRZSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)nn1 ZINC000653768587 412342899 /nfs/dbraw/zinc/34/28/99/412342899.db2.gz SCEUYVKNWHRYJV-LBPRGKRZSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@@H]2COC)nn1 ZINC000653779055 412347372 /nfs/dbraw/zinc/34/73/72/412347372.db2.gz XKNPLFLOBBYMPI-CHWSQXEVSA-N 1 2 266.345 0.436 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)nn1 ZINC000653779055 412347376 /nfs/dbraw/zinc/34/73/76/412347376.db2.gz XKNPLFLOBBYMPI-CHWSQXEVSA-N 1 2 266.345 0.436 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285226486 196226750 /nfs/dbraw/zinc/22/67/50/196226750.db2.gz XURGFCMBAHHECD-ZDUSSCGKSA-N 1 2 279.727 0.634 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285226486 196226752 /nfs/dbraw/zinc/22/67/52/196226752.db2.gz XURGFCMBAHHECD-ZDUSSCGKSA-N 1 2 279.727 0.634 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660906446 414527204 /nfs/dbraw/zinc/52/72/04/414527204.db2.gz HLHVXSQEWJSOQF-CQSZACIVSA-N 1 2 297.399 0.695 20 30 CCEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660954499 414537299 /nfs/dbraw/zinc/53/72/99/414537299.db2.gz PCGRETKSCISZGK-AWEZNQCLSA-N 1 2 297.399 0.695 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300310 414707962 /nfs/dbraw/zinc/70/79/62/414707962.db2.gz APQCLTRBWMNDOR-LLVKDONJSA-N 1 2 287.363 0.834 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300310 414707963 /nfs/dbraw/zinc/70/79/63/414707963.db2.gz APQCLTRBWMNDOR-LLVKDONJSA-N 1 2 287.363 0.834 20 30 CCEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000330234898 228074868 /nfs/dbraw/zinc/07/48/68/228074868.db2.gz YOWJGLVIIUDOFR-OLZOCXBDSA-N 1 2 297.399 0.732 20 30 CCEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000330234898 228074870 /nfs/dbraw/zinc/07/48/70/228074870.db2.gz YOWJGLVIIUDOFR-OLZOCXBDSA-N 1 2 297.399 0.732 20 30 CCEDLO C[C@@H](CNC(=O)N1CCCCO1)[NH+]1CCOCC1 ZINC000328719850 545018826 /nfs/dbraw/zinc/01/88/26/545018826.db2.gz VUCMRPHMNBVFGL-NSHDSACASA-N 1 2 257.334 0.649 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCOCC1 ZINC000363436343 260258595 /nfs/dbraw/zinc/25/85/95/260258595.db2.gz IUAWRKAMHNQBMN-ZDUSSCGKSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCOCC1 ZINC000363436343 260258596 /nfs/dbraw/zinc/25/85/96/260258596.db2.gz IUAWRKAMHNQBMN-ZDUSSCGKSA-N 1 2 253.346 0.763 20 30 CCEDLO N#CCCN(C(=O)C[NH+](CCO)CCO)c1ccccc1 ZINC000072939665 260278919 /nfs/dbraw/zinc/27/89/19/260278919.db2.gz DTTJBQGPSGFYNE-UHFFFAOYSA-N 1 2 291.351 0.220 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000490800995 261210844 /nfs/dbraw/zinc/21/08/44/261210844.db2.gz ZSAKNVVRKKAOEV-CQSZACIVSA-N 1 2 298.342 0.511 20 30 CCEDLO C#CC[N@@H+](CCc1ccnn1C)[C@H]1CCS(=O)(=O)C1 ZINC000491047432 261310421 /nfs/dbraw/zinc/31/04/21/261310421.db2.gz UNBFKPMWWUDCCR-ZDUSSCGKSA-N 1 2 281.381 0.085 20 30 CCEDLO C#CC[N@H+](CCc1ccnn1C)[C@H]1CCS(=O)(=O)C1 ZINC000491047432 261310423 /nfs/dbraw/zinc/31/04/23/261310423.db2.gz UNBFKPMWWUDCCR-ZDUSSCGKSA-N 1 2 281.381 0.085 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000112921166 261621455 /nfs/dbraw/zinc/62/14/55/261621455.db2.gz KKOWEJISKHRHQA-UHFFFAOYSA-N 1 2 273.292 0.986 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCC3(CCOCC3)C2=O)CC1 ZINC000491772618 262027185 /nfs/dbraw/zinc/02/71/85/262027185.db2.gz AAINYBAWLDZDRN-UHFFFAOYSA-N 1 2 291.395 0.224 20 30 CCEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CC#N ZINC000497209122 262106161 /nfs/dbraw/zinc/10/61/61/262106161.db2.gz NGILTXBXIMZDAI-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CC#N ZINC000497209122 262106163 /nfs/dbraw/zinc/10/61/63/262106163.db2.gz NGILTXBXIMZDAI-LLVKDONJSA-N 1 2 296.371 0.567 20 30 CCEDLO C[C@H](C#N)C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC000336821021 262397500 /nfs/dbraw/zinc/39/75/00/262397500.db2.gz GFXHYSITSWATLL-SNVBAGLBSA-N 1 2 276.340 0.208 20 30 CCEDLO C[C@H](C#N)C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC000336821021 262397501 /nfs/dbraw/zinc/39/75/01/262397501.db2.gz GFXHYSITSWATLL-SNVBAGLBSA-N 1 2 276.340 0.208 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643246 263037585 /nfs/dbraw/zinc/03/75/85/263037585.db2.gz RAQWWMHDGNUKPS-JSGCOSHPSA-N 1 2 290.319 0.697 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000276643246 263037586 /nfs/dbraw/zinc/03/75/86/263037586.db2.gz RAQWWMHDGNUKPS-JSGCOSHPSA-N 1 2 290.319 0.697 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283089629 263081145 /nfs/dbraw/zinc/08/11/45/263081145.db2.gz WKEBHFRXEJSHPU-WDEREUQCSA-N 1 2 285.373 0.340 20 30 CCEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N(C)C)cc1F ZINC000289347064 263109287 /nfs/dbraw/zinc/10/92/87/263109287.db2.gz GQQPUGWNBOIYFS-UHFFFAOYSA-N 1 2 253.277 0.859 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)CC1(C#N)CC1 ZINC000292880149 263136228 /nfs/dbraw/zinc/13/62/28/263136228.db2.gz CRFLXHOPNMTLKS-UHFFFAOYSA-N 1 2 281.337 0.813 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000294437618 263162089 /nfs/dbraw/zinc/16/20/89/263162089.db2.gz GEMPGXQUUURNGV-AWEZNQCLSA-N 1 2 293.367 0.099 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000295274184 263175538 /nfs/dbraw/zinc/17/55/38/263175538.db2.gz HXQQFIOELMPVAU-UHFFFAOYSA-N 1 2 269.299 0.789 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000342035844 263385775 /nfs/dbraw/zinc/38/57/75/263385775.db2.gz FGISZCFVMZLQDA-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000342035844 263385777 /nfs/dbraw/zinc/38/57/77/263385777.db2.gz FGISZCFVMZLQDA-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342288322 263413523 /nfs/dbraw/zinc/41/35/23/263413523.db2.gz OWELLDDDFCFRKJ-CHWSQXEVSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000330689529 264003697 /nfs/dbraw/zinc/00/36/97/264003697.db2.gz YAPIAJUQMYKQNQ-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000330689529 264003699 /nfs/dbraw/zinc/00/36/99/264003699.db2.gz YAPIAJUQMYKQNQ-NWDGAFQWSA-N 1 2 286.397 0.282 20 30 CCEDLO C[C@H](CNC(=O)N1CC[C@H](CCO)C1)[NH+]1CCOCC1 ZINC000330935387 264080593 /nfs/dbraw/zinc/08/05/93/264080593.db2.gz MZWVTVPQBUXIRW-CHWSQXEVSA-N 1 2 285.388 0.325 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](CCO)C2)CCO1 ZINC000330933620 264097145 /nfs/dbraw/zinc/09/71/45/264097145.db2.gz DTPAHBGQDYMKJY-ZDUSSCGKSA-N 1 2 299.415 0.716 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](CCO)C2)CCO1 ZINC000330933620 264097147 /nfs/dbraw/zinc/09/71/47/264097147.db2.gz DTPAHBGQDYMKJY-ZDUSSCGKSA-N 1 2 299.415 0.716 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1OC ZINC000331113488 264128052 /nfs/dbraw/zinc/12/80/52/264128052.db2.gz MGUTWBVGZUBZSE-BETUJISGSA-N 1 2 295.383 0.675 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1OC ZINC000331113488 264128053 /nfs/dbraw/zinc/12/80/53/264128053.db2.gz MGUTWBVGZUBZSE-BETUJISGSA-N 1 2 295.383 0.675 20 30 CCEDLO CCC[C@](C)(CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000331287267 264172675 /nfs/dbraw/zinc/17/26/75/264172675.db2.gz HOKCCGHAJQEDMI-TZMCWYRMSA-N 1 2 286.420 0.287 20 30 CCEDLO CCC[C@](C)(CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000331287267 264172677 /nfs/dbraw/zinc/17/26/77/264172677.db2.gz HOKCCGHAJQEDMI-TZMCWYRMSA-N 1 2 286.420 0.287 20 30 CCEDLO COc1cnc(NC(=O)N(C)CC[NH+]2CCOCC2)nc1 ZINC000331333780 264193123 /nfs/dbraw/zinc/19/31/23/264193123.db2.gz PNQLHTTWQBDMGF-UHFFFAOYSA-N 1 2 295.343 0.295 20 30 CCEDLO C=CCn1cc(CNC(=O)C(C)(C)[NH+]2CCOCC2)nn1 ZINC000424908997 264375099 /nfs/dbraw/zinc/37/50/99/264375099.db2.gz RGAVCSMCKGUSNS-UHFFFAOYSA-N 1 2 293.371 0.191 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242435 264394944 /nfs/dbraw/zinc/39/49/44/264394944.db2.gz CTVPIXRZVZMIRB-OLZOCXBDSA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242435 264394945 /nfs/dbraw/zinc/39/49/45/264394945.db2.gz CTVPIXRZVZMIRB-OLZOCXBDSA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356636393 266151956 /nfs/dbraw/zinc/15/19/56/266151956.db2.gz VDHYGOZXHCIANR-UHFFFAOYSA-N 1 2 286.335 0.914 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000356834233 266184607 /nfs/dbraw/zinc/18/46/07/266184607.db2.gz KSCUXAMORIOMFP-WCQYABFASA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000356834233 266184610 /nfs/dbraw/zinc/18/46/10/266184610.db2.gz KSCUXAMORIOMFP-WCQYABFASA-N 1 2 268.357 0.293 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000357667006 266343354 /nfs/dbraw/zinc/34/33/54/266343354.db2.gz CAXMKDDXOBWBMA-SNVBAGLBSA-N 1 2 281.312 0.203 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC#N ZINC000362698146 267036608 /nfs/dbraw/zinc/03/66/08/267036608.db2.gz NUBSLYUCCJGIMV-GFCCVEGCSA-N 1 2 291.355 0.465 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC#N ZINC000362698146 267036611 /nfs/dbraw/zinc/03/66/11/267036611.db2.gz NUBSLYUCCJGIMV-GFCCVEGCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC#N ZINC000367802935 267118909 /nfs/dbraw/zinc/11/89/09/267118909.db2.gz FQEGFBLNYCHJIE-OLZOCXBDSA-N 1 2 280.372 0.795 20 30 CCEDLO C=CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000331360861 277839748 /nfs/dbraw/zinc/83/97/48/277839748.db2.gz YILRGIWSNBCIDA-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO Cn1c(=O)c(C#N)c(N2CCc3c[nH+]ccc32)n(C)c1=O ZINC000175004257 294137030 /nfs/dbraw/zinc/13/70/30/294137030.db2.gz HJHVIEWGJMEUFK-UHFFFAOYSA-N 1 2 283.291 0.045 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000225434594 294202614 /nfs/dbraw/zinc/20/26/14/294202614.db2.gz BSGKVNDMVXKDLY-UONOGXRCSA-N 1 2 288.351 0.442 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000225434594 294202617 /nfs/dbraw/zinc/20/26/17/294202617.db2.gz BSGKVNDMVXKDLY-UONOGXRCSA-N 1 2 288.351 0.442 20 30 CCEDLO O=C(N[C@@H]1CCCOC1)N1CCn2cc[nH+]c2C1 ZINC000329728599 295380083 /nfs/dbraw/zinc/38/00/83/295380083.db2.gz HHHNTCORXHAYKE-SNVBAGLBSA-N 1 2 250.302 0.792 20 30 CCEDLO C=CCNc1ncc(C(=O)NCCc2cn(C)c[nH+]2)s1 ZINC000412416090 328110605 /nfs/dbraw/zinc/11/06/05/328110605.db2.gz KRMBTLWYADXDNG-UHFFFAOYSA-N 1 2 291.380 0.869 20 30 CCEDLO C=CCNC(=O)c1ccc(NCCc2cn(C)c[nH+]2)nc1 ZINC000413379547 328144684 /nfs/dbraw/zinc/14/46/84/328144684.db2.gz HBWGIEDHLSNPLC-UHFFFAOYSA-N 1 2 285.351 0.807 20 30 CCEDLO Cn1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000268566278 328185284 /nfs/dbraw/zinc/18/52/84/328185284.db2.gz APHSOTZRRCWZDE-UHFFFAOYSA-N 1 2 290.367 0.713 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000172880401 329139765 /nfs/dbraw/zinc/13/97/65/329139765.db2.gz MTLQWJFKKQNGAL-GFCCVEGCSA-N 1 2 269.345 0.096 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](COC)C1 ZINC000172880401 329139767 /nfs/dbraw/zinc/13/97/67/329139767.db2.gz MTLQWJFKKQNGAL-GFCCVEGCSA-N 1 2 269.345 0.096 20 30 CCEDLO CC(=O)Nc1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275537884 328215409 /nfs/dbraw/zinc/21/54/09/328215409.db2.gz RSCDAHJMQSDPKZ-UHFFFAOYSA-N 1 2 294.311 0.255 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000572613524 326938091 /nfs/dbraw/zinc/93/80/91/326938091.db2.gz FJGMWONRXMUTEW-VIFPVBQESA-N 1 2 279.262 0.358 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000556768554 326963195 /nfs/dbraw/zinc/96/31/95/326963195.db2.gz JLPJFCUTLFAREP-OLZOCXBDSA-N 1 2 283.372 0.304 20 30 CCEDLO Cc1c(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C ZINC000576995491 327075044 /nfs/dbraw/zinc/07/50/44/327075044.db2.gz DWOACAPBSKHPGE-LBPRGKRZSA-N 1 2 283.763 0.956 20 30 CCEDLO C[C@@H](NC(=O)NCC1(C#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000559320752 327158564 /nfs/dbraw/zinc/15/85/64/327158564.db2.gz XRIOPAXUHKFTQD-NEPJUHHUSA-N 1 2 280.372 0.699 20 30 CCEDLO CNC(=O)c1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000573808699 327259495 /nfs/dbraw/zinc/25/94/95/327259495.db2.gz RGTZMWGFGQLSLC-LBPRGKRZSA-N 1 2 291.351 0.631 20 30 CCEDLO CNC(=O)c1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000573808699 327259497 /nfs/dbraw/zinc/25/94/97/327259497.db2.gz RGTZMWGFGQLSLC-LBPRGKRZSA-N 1 2 291.351 0.631 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000560461753 327310448 /nfs/dbraw/zinc/31/04/48/327310448.db2.gz FZKRVLDSTOCEAY-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000560461753 327310449 /nfs/dbraw/zinc/31/04/49/327310449.db2.gz FZKRVLDSTOCEAY-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@@H]1CCCO1 ZINC000565051604 327423014 /nfs/dbraw/zinc/42/30/14/327423014.db2.gz NZFUZZMPUSHTSM-AAEUAGOBSA-N 1 2 253.346 0.906 20 30 CCEDLO CCCCNC(=O)NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000570341222 327584843 /nfs/dbraw/zinc/58/48/43/327584843.db2.gz DPXGQDDRIGPYRV-JTQLQIEISA-N 1 2 254.334 0.894 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000361080515 328914376 /nfs/dbraw/zinc/91/43/76/328914376.db2.gz RQIDFMUYFGLHAN-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C#CCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377338762 329011885 /nfs/dbraw/zinc/01/18/85/329011885.db2.gz BLBSRKLRPMRZKW-CHWSQXEVSA-N 1 2 286.397 0.135 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000377384993 329013489 /nfs/dbraw/zinc/01/34/89/329013489.db2.gz ZRHJJVROBGIEHI-CYBMUJFWSA-N 1 2 280.349 0.888 20 30 CCEDLO N#CCSCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174471293 329159029 /nfs/dbraw/zinc/15/90/29/329159029.db2.gz VTPLHWIFCXXCSB-LBPRGKRZSA-N 1 2 283.397 0.566 20 30 CCEDLO C=CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080619717 330144911 /nfs/dbraw/zinc/14/49/11/330144911.db2.gz JPNXUISCCGUVLI-GFCCVEGCSA-N 1 2 253.346 0.679 20 30 CCEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527128637 330225123 /nfs/dbraw/zinc/22/51/23/330225123.db2.gz JYGUVTQBHMYQJS-SNVBAGLBSA-N 1 2 253.371 0.986 20 30 CCEDLO C[C@@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527128637 330225124 /nfs/dbraw/zinc/22/51/24/330225124.db2.gz JYGUVTQBHMYQJS-SNVBAGLBSA-N 1 2 253.371 0.986 20 30 CCEDLO C=C(CC)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000456823548 331205887 /nfs/dbraw/zinc/20/58/87/331205887.db2.gz BOIFEMQEWNKCTL-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=C(CC)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000456823548 331205888 /nfs/dbraw/zinc/20/58/88/331205888.db2.gz BOIFEMQEWNKCTL-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=C(C)CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000459006101 331266002 /nfs/dbraw/zinc/26/60/02/331266002.db2.gz QZTXAEGJJBGNKK-UHFFFAOYSA-N 1 2 255.362 0.926 20 30 CCEDLO C#CCN(CC#C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000490762681 332113963 /nfs/dbraw/zinc/11/39/63/332113963.db2.gz JOOJNLDTXMYZIE-UHFFFAOYSA-N 1 2 265.276 0.371 20 30 CCEDLO C#CC[N@@H+](CCc1ccnn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000491043361 332142091 /nfs/dbraw/zinc/14/20/91/332142091.db2.gz AQKLGRNOHJNGKO-AWEZNQCLSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@H+](CCc1ccnn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000491043361 332142092 /nfs/dbraw/zinc/14/20/92/332142092.db2.gz AQKLGRNOHJNGKO-AWEZNQCLSA-N 1 2 295.408 0.568 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491298177 332184825 /nfs/dbraw/zinc/18/48/25/332184825.db2.gz UNQDTZXMINZNPZ-GFCCVEGCSA-N 1 2 298.302 0.133 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC)CC1 ZINC000491382994 332201321 /nfs/dbraw/zinc/20/13/21/332201321.db2.gz KFJXPWSZZPGSBZ-CYBMUJFWSA-N 1 2 289.383 0.557 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491419943 332208581 /nfs/dbraw/zinc/20/85/81/332208581.db2.gz WJZMKHQNCAAIKN-LBPRGKRZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491419943 332208582 /nfs/dbraw/zinc/20/85/82/332208582.db2.gz WJZMKHQNCAAIKN-LBPRGKRZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@H](NC(=O)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000491486437 332221041 /nfs/dbraw/zinc/22/10/41/332221041.db2.gz WCYCYTSEESRJST-LBPRGKRZSA-N 1 2 267.373 0.666 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000491525214 332230028 /nfs/dbraw/zinc/23/00/28/332230028.db2.gz QUJGQOYPKZFYOY-BXUZGUMPSA-N 1 2 266.341 0.699 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000491525214 332230029 /nfs/dbraw/zinc/23/00/29/332230029.db2.gz QUJGQOYPKZFYOY-BXUZGUMPSA-N 1 2 266.341 0.699 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000491659913 332270436 /nfs/dbraw/zinc/27/04/36/332270436.db2.gz LTFHURRNMLYEKH-LLVKDONJSA-N 1 2 271.320 0.925 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000491659913 332270437 /nfs/dbraw/zinc/27/04/37/332270437.db2.gz LTFHURRNMLYEKH-LLVKDONJSA-N 1 2 271.320 0.925 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491693055 332289425 /nfs/dbraw/zinc/28/94/25/332289425.db2.gz SLUSDEDULYVVIZ-GFCCVEGCSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491693055 332289426 /nfs/dbraw/zinc/28/94/26/332289426.db2.gz SLUSDEDULYVVIZ-GFCCVEGCSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000491734226 332315073 /nfs/dbraw/zinc/31/50/73/332315073.db2.gz IROPDFJQLXWGOC-SECBINFHSA-N 1 2 250.302 0.510 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000491734226 332315074 /nfs/dbraw/zinc/31/50/74/332315074.db2.gz IROPDFJQLXWGOC-SECBINFHSA-N 1 2 250.302 0.510 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000491734239 332315077 /nfs/dbraw/zinc/31/50/77/332315077.db2.gz IROPDFJQLXWGOC-VIFPVBQESA-N 1 2 250.302 0.510 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000491734239 332315078 /nfs/dbraw/zinc/31/50/78/332315078.db2.gz IROPDFJQLXWGOC-VIFPVBQESA-N 1 2 250.302 0.510 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000491770282 332337278 /nfs/dbraw/zinc/33/72/78/332337278.db2.gz OFBPELVHBUNQBM-STQMWFEESA-N 1 2 279.384 0.903 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491806494 332359852 /nfs/dbraw/zinc/35/98/52/332359852.db2.gz ADEYESRECFWSQK-UKRRQHHQSA-N 1 2 259.353 0.998 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000491810721 332363208 /nfs/dbraw/zinc/36/32/08/332363208.db2.gz AHXKEXGZQWRWOB-MFKMUULPSA-N 1 2 252.289 0.571 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000491810721 332363209 /nfs/dbraw/zinc/36/32/09/332363209.db2.gz AHXKEXGZQWRWOB-MFKMUULPSA-N 1 2 252.289 0.571 20 30 CCEDLO C=CCNC(=O)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492369104 332394431 /nfs/dbraw/zinc/39/44/31/332394431.db2.gz OFKGSAKMWAYCQT-WAYWQWQTSA-N 1 2 262.313 0.335 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1cc(Cl)cn1 ZINC000566307854 334641976 /nfs/dbraw/zinc/64/19/76/334641976.db2.gz BFYRCXXAQZTQJW-GFCCVEGCSA-N 1 2 283.763 0.887 20 30 CCEDLO C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516699372 333081024 /nfs/dbraw/zinc/08/10/24/333081024.db2.gz LNOZYOZFBRDZIC-GUTXKFCHSA-N 1 2 297.399 0.921 20 30 CCEDLO N#C[C@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCOC1 ZINC000547489717 334093200 /nfs/dbraw/zinc/09/32/00/334093200.db2.gz MEHLRBVKXBIJSA-CQSZACIVSA-N 1 2 283.291 0.680 20 30 CCEDLO CCN1CCN(C(=O)NC[C@H](C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000548019844 334135192 /nfs/dbraw/zinc/13/51/92/334135192.db2.gz IZHKQXXCLSNBNZ-NEPJUHHUSA-N 1 2 290.371 0.958 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@]3(C#N)CCOC3)[nH+]c12 ZINC000548140164 334142093 /nfs/dbraw/zinc/14/20/93/334142093.db2.gz PFHJJTZRFFWZSZ-HNNXBMFYSA-N 1 2 284.319 0.984 20 30 CCEDLO CCOCCO[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566306312 334641933 /nfs/dbraw/zinc/64/19/33/334641933.db2.gz LTBCCMRVTBGNNY-YPMHNXCESA-N 1 2 271.361 0.388 20 30 CCEDLO NC(=O)[C@@]1([NH2+]CC#Cc2ccc(F)cc2)CCOC1 ZINC000577623550 335380899 /nfs/dbraw/zinc/38/08/99/335380899.db2.gz SIZVTDHKDXBMEE-CQSZACIVSA-N 1 2 262.284 0.411 20 30 CCEDLO Cc1cc(C[NH2+]CCC#N)ccc1S(N)(=O)=O ZINC000579223158 518187160 /nfs/dbraw/zinc/18/71/60/518187160.db2.gz PSXIJPVNLBIZRQ-UHFFFAOYSA-N 1 2 253.327 0.646 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000665944982 545110404 /nfs/dbraw/zinc/11/04/04/545110404.db2.gz ZGXXNJVAZGYHSK-UHFFFAOYSA-N 1 2 268.361 0.154 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000666148248 545114062 /nfs/dbraw/zinc/11/40/62/545114062.db2.gz CAGDTLXJHAZHME-HNNXBMFYSA-N 1 2 291.351 0.471 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000353637382 526597632 /nfs/dbraw/zinc/59/76/32/526597632.db2.gz PRLMNILXGBFTDZ-ZETCQYMHSA-N 1 2 283.357 0.509 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000331813654 526854332 /nfs/dbraw/zinc/85/43/32/526854332.db2.gz HAENHQSGAJGWLU-HIFRSBDPSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000331813654 526854335 /nfs/dbraw/zinc/85/43/35/526854335.db2.gz HAENHQSGAJGWLU-HIFRSBDPSA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000667814953 545156766 /nfs/dbraw/zinc/15/67/66/545156766.db2.gz FSZLZKVWBDJQBA-OCCSQVGLSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000667814953 545156767 /nfs/dbraw/zinc/15/67/67/545156767.db2.gz FSZLZKVWBDJQBA-OCCSQVGLSA-N 1 2 297.399 0.294 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000329997229 527500104 /nfs/dbraw/zinc/50/01/04/527500104.db2.gz QDLJWNGZCXHMGY-URLYPYJESA-N 1 2 296.371 0.477 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000668253618 545169359 /nfs/dbraw/zinc/16/93/59/545169359.db2.gz HSXXBQWGQLGHRJ-GXTWGEPZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000668253618 545169360 /nfs/dbraw/zinc/16/93/60/545169360.db2.gz HSXXBQWGQLGHRJ-GXTWGEPZSA-N 1 2 297.399 0.294 20 30 CCEDLO CCOC(=O)[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425245485 528102126 /nfs/dbraw/zinc/10/21/26/528102126.db2.gz JMEBYQKANSUAPS-CYBMUJFWSA-N 1 2 263.297 0.410 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000677048166 545357100 /nfs/dbraw/zinc/35/71/00/545357100.db2.gz OHSKMUKULGAXGF-QWHCGFSZSA-N 1 2 268.357 0.247 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000677479170 545366273 /nfs/dbraw/zinc/36/62/73/545366273.db2.gz NEVXCDRIUBHQSL-UHFFFAOYSA-N 1 2 264.329 0.145 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000372403905 536308293 /nfs/dbraw/zinc/30/82/93/536308293.db2.gz IDBHIQUHDZFDNI-LBPRGKRZSA-N 1 2 283.353 0.665 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000372403905 536308295 /nfs/dbraw/zinc/30/82/95/536308295.db2.gz IDBHIQUHDZFDNI-LBPRGKRZSA-N 1 2 283.353 0.665 20 30 CCEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678677569 545396227 /nfs/dbraw/zinc/39/62/27/545396227.db2.gz BAYRHMNXMNHMHO-SECBINFHSA-N 1 2 258.281 0.964 20 30 CCEDLO C=CC[N@@H+](C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000777544558 581120130 /nfs/dbraw/zinc/12/01/30/581120130.db2.gz OUZATAIUKJSILS-UHFFFAOYSA-N 1 2 258.347 0.209 20 30 CCEDLO C=CC[N@H+](C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000777544558 581120132 /nfs/dbraw/zinc/12/01/32/581120132.db2.gz OUZATAIUKJSILS-UHFFFAOYSA-N 1 2 258.347 0.209 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nc(N)nc2C)CC1 ZINC000777859570 581195042 /nfs/dbraw/zinc/19/50/42/581195042.db2.gz FWMSCBDWEOTEFT-UHFFFAOYSA-N 1 2 273.340 0.067 20 30 CCEDLO C=C(CO)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000791317374 581214632 /nfs/dbraw/zinc/21/46/32/581214632.db2.gz NLDJWYQOUBJEET-OAHLLOKOSA-N 1 2 290.363 0.725 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253975 581233430 /nfs/dbraw/zinc/23/34/30/581233430.db2.gz OUJDUDXNYAQPKA-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCN(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253975 581233433 /nfs/dbraw/zinc/23/34/33/581233433.db2.gz OUJDUDXNYAQPKA-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000791918844 581239668 /nfs/dbraw/zinc/23/96/68/581239668.db2.gz XOSUUXDPKLVCKK-PWSUYJOCSA-N 1 2 288.355 0.283 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000791918844 581239670 /nfs/dbraw/zinc/23/96/70/581239670.db2.gz XOSUUXDPKLVCKK-PWSUYJOCSA-N 1 2 288.355 0.283 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792704 581252389 /nfs/dbraw/zinc/25/23/89/581252389.db2.gz YHAWOGPJKGQNAC-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792704 581252390 /nfs/dbraw/zinc/25/23/90/581252390.db2.gz YHAWOGPJKGQNAC-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000792264305 581255682 /nfs/dbraw/zinc/25/56/82/581255682.db2.gz MPEAYDSMUOYQJE-UHFFFAOYSA-N 1 2 299.421 0.333 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC000781154137 581260076 /nfs/dbraw/zinc/26/00/76/581260076.db2.gz IFIWTEFTBUPFAS-AWEZNQCLSA-N 1 2 250.342 0.581 20 30 CCEDLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781572189 581271835 /nfs/dbraw/zinc/27/18/35/581271835.db2.gz NXRFLHAUMPODHU-AWEZNQCLSA-N 1 2 294.355 0.526 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C=O)CC2)CCCCC1 ZINC000781561404 581271877 /nfs/dbraw/zinc/27/18/77/581271877.db2.gz ONCPYCMCIRDDLY-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C=O)CC2)CCCCC1 ZINC000781561404 581271880 /nfs/dbraw/zinc/27/18/80/581271880.db2.gz ONCPYCMCIRDDLY-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO C[C@H](CO)NN=Cc1ccc(C=[NH+]N[C@@H](C)CO)cc1 ZINC000749821571 581307917 /nfs/dbraw/zinc/30/79/17/581307917.db2.gz PZBHDQIZPIGBBO-TXEJJXNPSA-N 1 2 278.356 0.295 20 30 CCEDLO C[C@H](CO)N[NH+]=Cc1ccc(C=NN[C@@H](C)CO)cc1 ZINC000749821571 581307918 /nfs/dbraw/zinc/30/79/18/581307918.db2.gz PZBHDQIZPIGBBO-TXEJJXNPSA-N 1 2 278.356 0.295 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000783545784 581349349 /nfs/dbraw/zinc/34/93/49/581349349.db2.gz WBLZJIIQXNKTQC-UHFFFAOYSA-N 1 2 293.348 0.665 20 30 CCEDLO NC(=O)CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783865437 581366506 /nfs/dbraw/zinc/36/65/06/581366506.db2.gz YWXJNCQZIQTYSV-UHFFFAOYSA-N 1 2 250.283 0.770 20 30 CCEDLO C[C@H](C#N)CN(C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979899 581370013 /nfs/dbraw/zinc/37/00/13/581370013.db2.gz ZKXUMFAZMYWHIW-VXGBXAGGSA-N 1 2 275.356 0.785 20 30 CCEDLO N#CCCN(CC1CC1)C(=S)NCC[NH+]1CCOCC1 ZINC000728789754 581371393 /nfs/dbraw/zinc/37/13/93/581371393.db2.gz HGCNFIIAAKANQN-UHFFFAOYSA-N 1 2 296.440 0.819 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667351 581383082 /nfs/dbraw/zinc/38/30/82/581383082.db2.gz ONIUQGJEHHEIAZ-DOMZBBRYSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667351 581383084 /nfs/dbraw/zinc/38/30/84/581383084.db2.gz ONIUQGJEHHEIAZ-DOMZBBRYSA-N 1 2 289.335 0.557 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000786090290 581428955 /nfs/dbraw/zinc/42/89/55/581428955.db2.gz JANCFRZPPDJPHZ-LBPRGKRZSA-N 1 2 286.376 0.131 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000796603428 581445862 /nfs/dbraw/zinc/44/58/62/581445862.db2.gz JAUBTJNMOYZKEZ-DJJJIMSYSA-N 1 2 285.413 0.449 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787182951 581459019 /nfs/dbraw/zinc/45/90/19/581459019.db2.gz JONOCIREMHPMCW-SNVBAGLBSA-N 1 2 266.345 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787182951 581459021 /nfs/dbraw/zinc/45/90/21/581459021.db2.gz JONOCIREMHPMCW-SNVBAGLBSA-N 1 2 266.345 0.005 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOC)CC2)nc1 ZINC000728982537 581527051 /nfs/dbraw/zinc/52/70/51/581527051.db2.gz FSIUVKHKHSBTSG-UHFFFAOYSA-N 1 2 273.336 0.467 20 30 CCEDLO Cc1[nH+]cc(C=NNC2=NC(=O)C(=O)N2)n1-c1ccccc1 ZINC000765593723 581528273 /nfs/dbraw/zinc/52/82/73/581528273.db2.gz PCDVCBJHEMLWLG-UHFFFAOYSA-N 1 2 296.290 0.117 20 30 CCEDLO C=C(Cl)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766051165 581548182 /nfs/dbraw/zinc/54/81/82/581548182.db2.gz XKWPCMFJZZYBFT-UHFFFAOYSA-N 1 2 282.793 0.381 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@H+]2CCOC[C@@H]2C)c1O ZINC000729150145 581553667 /nfs/dbraw/zinc/55/36/67/581553667.db2.gz UBFYDMZLYUUFMP-AXLKIAQESA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c1O ZINC000729150145 581553668 /nfs/dbraw/zinc/55/36/68/581553668.db2.gz UBFYDMZLYUUFMP-AXLKIAQESA-N 1 2 293.367 0.728 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC000766371224 581564651 /nfs/dbraw/zinc/56/46/51/581564651.db2.gz CSTKXBKMROSLDC-UHFFFAOYSA-N 1 2 275.356 0.469 20 30 CCEDLO Cc1ccc(C#N)c(N2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000766410004 581564870 /nfs/dbraw/zinc/56/48/70/581564870.db2.gz IVBFMNVMAKWXNN-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000754347505 581587171 /nfs/dbraw/zinc/58/71/71/581587171.db2.gz UKGHXOQDAQWSTE-LLVKDONJSA-N 1 2 250.298 0.615 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000755055092 581623637 /nfs/dbraw/zinc/62/36/37/581623637.db2.gz WHEALAPGMBULTP-JHJVBQTASA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000755055092 581623639 /nfs/dbraw/zinc/62/36/39/581623639.db2.gz WHEALAPGMBULTP-JHJVBQTASA-N 1 2 266.341 0.004 20 30 CCEDLO C=CCNC(=S)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000729943570 581625729 /nfs/dbraw/zinc/62/57/29/581625729.db2.gz XYQCNFGFTPBKON-UHFFFAOYSA-N 1 2 279.413 0.598 20 30 CCEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cncs1 ZINC000767749385 581628517 /nfs/dbraw/zinc/62/85/17/581628517.db2.gz UEZOAEJXESPUOU-UHFFFAOYSA-N 1 2 299.425 0.273 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000730034878 581630471 /nfs/dbraw/zinc/63/04/71/581630471.db2.gz CKDULMGKKROCRH-UHFFFAOYSA-N 1 2 297.358 0.420 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767858032 581634138 /nfs/dbraw/zinc/63/41/38/581634138.db2.gz MOXFTASQVLANKD-CYBMUJFWSA-N 1 2 290.367 0.959 20 30 CCEDLO CCC1(O)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758222977 581729217 /nfs/dbraw/zinc/72/92/17/581729217.db2.gz KALKCQXUCHJJRI-UHFFFAOYSA-N 1 2 261.325 0.914 20 30 CCEDLO COCCCOCC[N@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758247192 581732169 /nfs/dbraw/zinc/73/21/69/581732169.db2.gz GUDYUPUPVIRIPI-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO COCCCOCC[N@@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758247192 581732172 /nfs/dbraw/zinc/73/21/72/581732172.db2.gz GUDYUPUPVIRIPI-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO C#CCNC(=S)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000758253439 581732526 /nfs/dbraw/zinc/73/25/26/581732526.db2.gz ZAFGXAOPHLSCNL-UHFFFAOYSA-N 1 2 296.465 0.993 20 30 CCEDLO C#CCNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000758250154 581732715 /nfs/dbraw/zinc/73/27/15/581732715.db2.gz BYHVXGAALFGRNJ-NSHDSACASA-N 1 2 260.366 0.758 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(CC)no1 ZINC000741216557 581736024 /nfs/dbraw/zinc/73/60/24/581736024.db2.gz HEDXVXIVENBWOU-ZDUSSCGKSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(CC)no1 ZINC000741216557 581736028 /nfs/dbraw/zinc/73/60/28/581736028.db2.gz HEDXVXIVENBWOU-ZDUSSCGKSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC000770490304 581747159 /nfs/dbraw/zinc/74/71/59/581747159.db2.gz KOVUNSVJRLNMNZ-HNNXBMFYSA-N 1 2 277.368 0.213 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000759439305 581798918 /nfs/dbraw/zinc/79/89/18/581798918.db2.gz ZWWMQQBSJJLOIL-BDAKNGLRSA-N 1 2 289.261 0.506 20 30 CCEDLO C#CCCCNC(=S)NCC[NH+]1CCOCC1 ZINC000743010822 581799901 /nfs/dbraw/zinc/79/99/01/581799901.db2.gz HOHYHLBKGUZXGH-UHFFFAOYSA-N 1 2 255.387 0.196 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519814 581802431 /nfs/dbraw/zinc/80/24/31/581802431.db2.gz RTKZUEDPDCBXQG-CQSZACIVSA-N 1 2 269.308 0.768 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519814 581802433 /nfs/dbraw/zinc/80/24/33/581802433.db2.gz RTKZUEDPDCBXQG-CQSZACIVSA-N 1 2 269.308 0.768 20 30 CCEDLO CCOc1cccc(/C=[NH+]/CCc2nnnn2C)c1O ZINC000771520724 581806450 /nfs/dbraw/zinc/80/64/50/581806450.db2.gz QALZIDCSSROJBB-NTEUORMPSA-N 1 2 275.312 0.976 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCCCC1 ZINC000743754786 581824341 /nfs/dbraw/zinc/82/43/41/581824341.db2.gz ARGQIWIKQWCOAM-ZDUSSCGKSA-N 1 2 264.369 0.895 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCCCC1 ZINC000743754786 581824343 /nfs/dbraw/zinc/82/43/43/581824343.db2.gz ARGQIWIKQWCOAM-ZDUSSCGKSA-N 1 2 264.369 0.895 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000732768269 581846989 /nfs/dbraw/zinc/84/69/89/581846989.db2.gz JTDLHDGBVDFJPE-BUXKBTBVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000732768269 581846991 /nfs/dbraw/zinc/84/69/91/581846991.db2.gz JTDLHDGBVDFJPE-BUXKBTBVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OCC ZINC000733137294 581867050 /nfs/dbraw/zinc/86/70/50/581867050.db2.gz GWLGAEDATRYNFQ-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OCC ZINC000733137294 581867051 /nfs/dbraw/zinc/86/70/51/581867051.db2.gz GWLGAEDATRYNFQ-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CCN(CC[S@@](C)=O)CC1 ZINC000760854785 581875969 /nfs/dbraw/zinc/87/59/69/581875969.db2.gz MZPZKIVPPHSHJA-FZKQIMNGSA-N 1 2 274.430 0.310 20 30 CCEDLO C=CCC[C@@H](O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000760854785 581875970 /nfs/dbraw/zinc/87/59/70/581875970.db2.gz MZPZKIVPPHSHJA-FZKQIMNGSA-N 1 2 274.430 0.310 20 30 CCEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCCC#N)C2)[nH]1 ZINC000760958757 581881253 /nfs/dbraw/zinc/88/12/53/581881253.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)[nH]1 ZINC000760958757 581881255 /nfs/dbraw/zinc/88/12/55/581881255.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCCC#N)C2)n1 ZINC000760958757 581881256 /nfs/dbraw/zinc/88/12/56/581881256.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)n1 ZINC000760958757 581881258 /nfs/dbraw/zinc/88/12/58/581881258.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCCC#N)C2)n[nH]1 ZINC000760958757 581881260 /nfs/dbraw/zinc/88/12/60/581881260.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCCC#N)C2)n[nH]1 ZINC000760958757 581881262 /nfs/dbraw/zinc/88/12/62/581881262.db2.gz ATPCUWYQGAOQOD-NSHDSACASA-N 1 2 276.344 0.322 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773238694 581917160 /nfs/dbraw/zinc/91/71/60/581917160.db2.gz WOHSINNKMUTSKD-AVGNSLFASA-N 1 2 276.340 0.752 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC(O)(C(C)C)C1 ZINC000773892678 581946125 /nfs/dbraw/zinc/94/61/25/581946125.db2.gz JRFILQMRLCOCRC-GFCCVEGCSA-N 1 2 267.373 0.697 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCC)C(=O)OC ZINC000773968231 581949755 /nfs/dbraw/zinc/94/97/55/581949755.db2.gz GPXVUYZHMRRQLN-RYUDHWBXSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCC)C(=O)OC ZINC000773968231 581949756 /nfs/dbraw/zinc/94/97/56/581949756.db2.gz GPXVUYZHMRRQLN-RYUDHWBXSA-N 1 2 266.341 0.542 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773980222 581950996 /nfs/dbraw/zinc/95/09/96/581950996.db2.gz PAEOXFYSNMFACY-GHMZBOCLSA-N 1 2 281.381 0.435 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773980222 581950999 /nfs/dbraw/zinc/95/09/99/581950999.db2.gz PAEOXFYSNMFACY-GHMZBOCLSA-N 1 2 281.381 0.435 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773980224 581951202 /nfs/dbraw/zinc/95/12/02/581951202.db2.gz PAEOXFYSNMFACY-QWRGUYRKSA-N 1 2 281.381 0.435 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773980224 581951205 /nfs/dbraw/zinc/95/12/05/581951205.db2.gz PAEOXFYSNMFACY-QWRGUYRKSA-N 1 2 281.381 0.435 20 30 CCEDLO C=CC[N@@H+](Cc1nc(CC(=O)NC)no1)C(C)C ZINC000749797808 582022616 /nfs/dbraw/zinc/02/26/16/582022616.db2.gz ZFWWTIGSBGUYCQ-UHFFFAOYSA-N 1 2 252.318 0.755 20 30 CCEDLO C=CC[N@H+](Cc1nc(CC(=O)NC)no1)C(C)C ZINC000749797808 582022618 /nfs/dbraw/zinc/02/26/18/582022618.db2.gz ZFWWTIGSBGUYCQ-UHFFFAOYSA-N 1 2 252.318 0.755 20 30 CCEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H](C)CO ZINC000749820184 582023802 /nfs/dbraw/zinc/02/38/02/582023802.db2.gz BNKQZVYNTRBSHC-VIFPVBQESA-N 1 2 299.334 0.789 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(NC)s2)CC1 ZINC000763994409 582024114 /nfs/dbraw/zinc/02/41/14/582024114.db2.gz WEUWWAZSRLEZJA-UHFFFAOYSA-N 1 2 278.381 0.966 20 30 CCEDLO Cc1ccc(NC(=O)Cn2cnc(C#N)n2)c(N(C)C)[nH+]1 ZINC000749987819 582029296 /nfs/dbraw/zinc/02/92/96/582029296.db2.gz ZWILTWHQFLQWCL-UHFFFAOYSA-N 1 2 285.311 0.558 20 30 CCEDLO CCOc1ccc(/C=[NH+]/Cc2nnn(C)n2)c(O)c1 ZINC000775739600 582035362 /nfs/dbraw/zinc/03/53/62/582035362.db2.gz GXRMUYQJGXRBHK-NTUHNPAUSA-N 1 2 261.285 0.934 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c1O ZINC000750949490 582065610 /nfs/dbraw/zinc/06/56/10/582065610.db2.gz FIZLTMGUWQUQJQ-FNQVVVRFSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N/CC[N@H+]2CCO[C@H](C)C2)c1O ZINC000750949490 582065613 /nfs/dbraw/zinc/06/56/13/582065613.db2.gz FIZLTMGUWQUQJQ-FNQVVVRFSA-N 1 2 293.367 0.728 20 30 CCEDLO C#CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765115115 582090467 /nfs/dbraw/zinc/09/04/67/582090467.db2.gz BTDYAJZPOYSMIS-UHFFFAOYSA-N 1 2 250.342 0.771 20 30 CCEDLO O=S1(=O)CCC(NN=C2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000776793975 582091204 /nfs/dbraw/zinc/09/12/04/582091204.db2.gz UYMXOIUHCWESFD-GFCCVEGCSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC(NN=C2CC[N@H+]3CCC[C@H]23)CC1 ZINC000776793975 582091205 /nfs/dbraw/zinc/09/12/05/582091205.db2.gz UYMXOIUHCWESFD-GFCCVEGCSA-N 1 2 271.386 0.377 20 30 CCEDLO C#CCOCC[N@@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000851840396 612981965 /nfs/dbraw/zinc/98/19/65/612981965.db2.gz FRPXKZMFFYFENE-LBPRGKRZSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CCOCC[N@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000851840396 612981966 /nfs/dbraw/zinc/98/19/66/612981966.db2.gz FRPXKZMFFYFENE-LBPRGKRZSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000859942574 612947810 /nfs/dbraw/zinc/94/78/10/612947810.db2.gz CHQHOXVNKJJFPY-LLVKDONJSA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000859942574 612947811 /nfs/dbraw/zinc/94/78/11/612947811.db2.gz CHQHOXVNKJJFPY-LLVKDONJSA-N 1 2 258.321 0.888 20 30 CCEDLO C#CC1(O)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000899121791 612950573 /nfs/dbraw/zinc/95/05/73/612950573.db2.gz IGGWJVNJLKXFKH-UHFFFAOYSA-N 1 2 275.352 0.913 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ncccc2C)CC1 ZINC000931151762 612952271 /nfs/dbraw/zinc/95/22/71/612952271.db2.gz SMLZGUFXEVAELP-UHFFFAOYSA-N 1 2 273.336 0.789 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000895386336 612952464 /nfs/dbraw/zinc/95/24/64/612952464.db2.gz YJDWJYWBFJPWBG-CQSZACIVSA-N 1 2 290.367 0.417 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000931145170 612952793 /nfs/dbraw/zinc/95/27/93/612952793.db2.gz OOKLFMGDTNEVMI-NSHDSACASA-N 1 2 277.324 0.770 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000858915035 613049023 /nfs/dbraw/zinc/04/90/23/613049023.db2.gz KFQQSKOUIGYIEJ-UHFFFAOYSA-N 1 2 268.313 0.327 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894854376 613071194 /nfs/dbraw/zinc/07/11/94/613071194.db2.gz IIQOLBOTMUVDAA-BSCCGWMCSA-N 1 2 263.337 0.954 20 30 CCEDLO C#C[C@@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823313543 613086726 /nfs/dbraw/zinc/08/67/26/613086726.db2.gz ACEUUAAKXTXVBI-IUCAKERBSA-N 1 2 275.230 0.487 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000854770605 613087902 /nfs/dbraw/zinc/08/79/02/613087902.db2.gz KKCBQAUZOPSIDP-UONOGXRCSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000806792339 612967314 /nfs/dbraw/zinc/96/73/14/612967314.db2.gz MPXNKOFGDJCPRO-ZDUSSCGKSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000806792339 612967315 /nfs/dbraw/zinc/96/73/15/612967315.db2.gz MPXNKOFGDJCPRO-ZDUSSCGKSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000155050848 612977290 /nfs/dbraw/zinc/97/72/90/612977290.db2.gz PWSRYDBDKQATGP-CQSZACIVSA-N 1 2 297.399 0.124 20 30 CCEDLO CC(C)C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801910595 614369050 /nfs/dbraw/zinc/36/90/50/614369050.db2.gz VPAJIWASMIXEHF-GFCCVEGCSA-N 1 2 253.346 0.715 20 30 CCEDLO CCCCOC(=O)CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846956710 614431936 /nfs/dbraw/zinc/43/19/36/614431936.db2.gz UBIRWWNWHIMVJR-UHFFFAOYSA-N 1 2 281.356 0.778 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933831372 617297344 /nfs/dbraw/zinc/29/73/44/617297344.db2.gz YNDCQWLBPBEOBQ-WDEREUQCSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933831372 617297347 /nfs/dbraw/zinc/29/73/47/617297347.db2.gz YNDCQWLBPBEOBQ-WDEREUQCSA-N 1 2 253.346 0.762 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)N(CC)CC(F)(F)F)CC1 ZINC000931151105 612952099 /nfs/dbraw/zinc/95/20/99/612952099.db2.gz FQHLUPHFZPVARG-UHFFFAOYSA-N 1 2 292.301 0.857 20 30 CCEDLO C#CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905285378 612953009 /nfs/dbraw/zinc/95/30/09/612953009.db2.gz LGYSVTNHBXHQCK-UHFFFAOYSA-N 1 2 261.325 0.183 20 30 CCEDLO C#CC1(O)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000890525371 612954177 /nfs/dbraw/zinc/95/41/77/612954177.db2.gz SRNFSLGVXYAYPP-UHFFFAOYSA-N 1 2 295.342 0.680 20 30 CCEDLO C#CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000844046645 612962898 /nfs/dbraw/zinc/96/28/98/612962898.db2.gz CZWVLTZTPIJJFN-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000830343246 612964863 /nfs/dbraw/zinc/96/48/63/612964863.db2.gz QJXNZGWFSIDZNN-UHFFFAOYSA-N 1 2 256.309 0.868 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000806730243 612967195 /nfs/dbraw/zinc/96/71/95/612967195.db2.gz KLGGEGLBWAHHEV-CYBMUJFWSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000806730243 612967198 /nfs/dbraw/zinc/96/71/98/612967198.db2.gz KLGGEGLBWAHHEV-CYBMUJFWSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896545797 612967925 /nfs/dbraw/zinc/96/79/25/612967925.db2.gz QEPNZHILQVKDNB-HIFRSBDPSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896545797 612967927 /nfs/dbraw/zinc/96/79/27/612967927.db2.gz QEPNZHILQVKDNB-HIFRSBDPSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866548485 612977136 /nfs/dbraw/zinc/97/71/36/612977136.db2.gz VHJZNTFDTSHKMK-SREVYHEPSA-N 1 2 250.342 0.795 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902316116 612989528 /nfs/dbraw/zinc/98/95/28/612989528.db2.gz DSAHDSBCFRODEC-XJKSGUPXSA-N 1 2 292.379 0.947 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902316116 612989529 /nfs/dbraw/zinc/98/95/29/612989529.db2.gz DSAHDSBCFRODEC-XJKSGUPXSA-N 1 2 292.379 0.947 20 30 CCEDLO C#CCOCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772019 612990495 /nfs/dbraw/zinc/99/04/95/612990495.db2.gz LFYOIMYLUKUUKI-KGLIPLIRSA-N 1 2 297.351 0.059 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn3nnnc3c2)C1 ZINC000951130327 612992361 /nfs/dbraw/zinc/99/23/61/612992361.db2.gz RLUUXYVBZAOFMI-UHFFFAOYSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncnc2C)C1 ZINC000949723451 612992995 /nfs/dbraw/zinc/99/29/95/612992995.db2.gz QMYJTBZAYFSZEE-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]cc2C)C1 ZINC000950047670 612993263 /nfs/dbraw/zinc/99/32/63/612993263.db2.gz BSJSTZZTGOJXAA-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC000957477078 613011117 /nfs/dbraw/zinc/01/11/17/613011117.db2.gz MAHYEIIDDAYAIB-UHFFFAOYSA-N 1 2 276.340 0.210 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000863782542 613021884 /nfs/dbraw/zinc/02/18/84/613021884.db2.gz VOYKIIPQEPLTDK-OLZOCXBDSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848473513 613054054 /nfs/dbraw/zinc/05/40/54/613054054.db2.gz HDYYTBQGGSNVIO-UPJWGTAASA-N 1 2 288.413 0.427 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848473513 613054056 /nfs/dbraw/zinc/05/40/56/613054056.db2.gz HDYYTBQGGSNVIO-UPJWGTAASA-N 1 2 288.413 0.427 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858154303 613064056 /nfs/dbraw/zinc/06/40/56/613064056.db2.gz CSUUKTVDDLBJST-NWDGAFQWSA-N 1 2 264.329 0.609 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000840297378 613064525 /nfs/dbraw/zinc/06/45/25/613064525.db2.gz JTAMKZUMSMQQSM-MNOVXSKESA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000840297378 613064526 /nfs/dbraw/zinc/06/45/26/613064526.db2.gz JTAMKZUMSMQQSM-MNOVXSKESA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCn1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC000834603481 613076811 /nfs/dbraw/zinc/07/68/11/613076811.db2.gz PLAXIFUPWPZXCV-GFCCVEGCSA-N 1 2 271.324 0.980 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CCC(=O)O2)n1 ZINC000851995870 613078848 /nfs/dbraw/zinc/07/88/48/613078848.db2.gz AOABGIBSHPWAIT-CQSZACIVSA-N 1 2 291.351 0.670 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CCC(=O)O2)n1 ZINC000851995870 613078849 /nfs/dbraw/zinc/07/88/49/613078849.db2.gz AOABGIBSHPWAIT-CQSZACIVSA-N 1 2 291.351 0.670 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868514624 613080771 /nfs/dbraw/zinc/08/07/71/613080771.db2.gz QEDZKLLSMQCSFX-CYBMUJFWSA-N 1 2 287.367 0.368 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC000972008868 613090655 /nfs/dbraw/zinc/09/06/55/613090655.db2.gz LCIJSFDHRAYZIX-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC000972008868 613090656 /nfs/dbraw/zinc/09/06/56/613090656.db2.gz LCIJSFDHRAYZIX-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCOCC1 ZINC000875748645 613097393 /nfs/dbraw/zinc/09/73/93/613097393.db2.gz RKJSAIFYAOJLCH-TZMCWYRMSA-N 1 2 288.351 0.535 20 30 CCEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823844667 613100559 /nfs/dbraw/zinc/10/05/59/613100559.db2.gz FWLALNLHDZNYER-UHFFFAOYSA-N 1 2 266.308 0.720 20 30 CCEDLO C#CC[N@H+](CC#CC)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823844667 613100560 /nfs/dbraw/zinc/10/05/60/613100560.db2.gz FWLALNLHDZNYER-UHFFFAOYSA-N 1 2 266.308 0.720 20 30 CCEDLO C#CC[N@H+](CN1CC2(CCOCC2)[C@@H](O)C1=O)C(C)C ZINC000905747747 613108177 /nfs/dbraw/zinc/10/81/77/613108177.db2.gz BOVQRDXFZPAKNP-ZDUSSCGKSA-N 1 2 280.368 0.287 20 30 CCEDLO C#CC[N@@H+](CN1CC2(CCOCC2)[C@@H](O)C1=O)C(C)C ZINC000905747747 613108179 /nfs/dbraw/zinc/10/81/79/613108179.db2.gz BOVQRDXFZPAKNP-ZDUSSCGKSA-N 1 2 280.368 0.287 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000941367919 613114631 /nfs/dbraw/zinc/11/46/31/613114631.db2.gz MQKUGNLNLXJRPY-ACAGNQJTSA-N 1 2 261.369 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000941356719 613114665 /nfs/dbraw/zinc/11/46/65/613114665.db2.gz XWIVCYASWOKPBI-UHFFFAOYSA-N 1 2 273.380 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000941601245 613115025 /nfs/dbraw/zinc/11/50/25/613115025.db2.gz MASDNSARJQIXHT-JKSUJKDBSA-N 1 2 287.407 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3C)CC2)C1 ZINC000941538804 613115717 /nfs/dbraw/zinc/11/57/17/613115717.db2.gz KTFXFZLPFYBRQC-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#C[C@H](CC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935630124 613121564 /nfs/dbraw/zinc/12/15/64/613121564.db2.gz CKLLSHITZQCVTN-MCIONIFRSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2conc2C)CC1 ZINC000921437332 613138672 /nfs/dbraw/zinc/13/86/72/613138672.db2.gz URQUFPNESOEYSY-UHFFFAOYSA-N 1 2 283.353 0.359 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCOCC1 ZINC000875748643 613145094 /nfs/dbraw/zinc/14/50/94/613145094.db2.gz RKJSAIFYAOJLCH-JSGCOSHPSA-N 1 2 288.351 0.535 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892599611 613154830 /nfs/dbraw/zinc/15/48/30/613154830.db2.gz MCCZZDLNWGTNJE-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892599611 613154831 /nfs/dbraw/zinc/15/48/31/613154831.db2.gz MCCZZDLNWGTNJE-KBPBESRZSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000847309472 613157004 /nfs/dbraw/zinc/15/70/04/613157004.db2.gz NYSMEVKYVRPFPV-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000847309472 613157006 /nfs/dbraw/zinc/15/70/06/613157006.db2.gz NYSMEVKYVRPFPV-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000847284438 613157789 /nfs/dbraw/zinc/15/77/89/613157789.db2.gz IJAWNKXGUZLIES-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981024792 613160736 /nfs/dbraw/zinc/16/07/36/613160736.db2.gz VBBHGSXQULTQHT-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981024792 613160738 /nfs/dbraw/zinc/16/07/38/613160738.db2.gz VBBHGSXQULTQHT-UHFFFAOYSA-N 1 2 259.309 0.568 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000854726495 613169051 /nfs/dbraw/zinc/16/90/51/613169051.db2.gz DRLLUOHRIZHCDC-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000890366555 613171295 /nfs/dbraw/zinc/17/12/95/613171295.db2.gz AZCPJBNZCZSWET-GHMZBOCLSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000890366555 613171296 /nfs/dbraw/zinc/17/12/96/613171296.db2.gz AZCPJBNZCZSWET-GHMZBOCLSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C=O)cn2C)C1 ZINC000923558188 613173668 /nfs/dbraw/zinc/17/36/68/613173668.db2.gz XGRYDBXKSZKKGE-CYBMUJFWSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C=O)cn2C)C1 ZINC000923558188 613173670 /nfs/dbraw/zinc/17/36/70/613173670.db2.gz XGRYDBXKSZKKGE-CYBMUJFWSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000829582322 613173789 /nfs/dbraw/zinc/17/37/89/613173789.db2.gz KPIYQVHITCIRNY-LLVKDONJSA-N 1 2 259.309 0.202 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000829582322 613173791 /nfs/dbraw/zinc/17/37/91/613173791.db2.gz KPIYQVHITCIRNY-LLVKDONJSA-N 1 2 259.309 0.202 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)OC)C1 ZINC000885508802 613175503 /nfs/dbraw/zinc/17/55/03/613175503.db2.gz LPMGLCPHTVESHU-GFCCVEGCSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)OC)C1 ZINC000885508802 613175504 /nfs/dbraw/zinc/17/55/04/613175504.db2.gz LPMGLCPHTVESHU-GFCCVEGCSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NCc2nnn(C(C)(C)C)n2)C1 ZINC000886209741 613175532 /nfs/dbraw/zinc/17/55/32/613175532.db2.gz UCLYHZZADKPGIS-GFCCVEGCSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NCc2nnn(C(C)(C)C)n2)C1 ZINC000886209741 613175533 /nfs/dbraw/zinc/17/55/33/613175533.db2.gz UCLYHZZADKPGIS-GFCCVEGCSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CCN1CCC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC000886209741 613175534 /nfs/dbraw/zinc/17/55/34/613175534.db2.gz UCLYHZZADKPGIS-GFCCVEGCSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC(=O)[C@H]2C)C1 ZINC000924034622 613183851 /nfs/dbraw/zinc/18/38/51/613183851.db2.gz FBNIXNWMDWKHPD-OLZOCXBDSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC(=O)[C@H]2C)C1 ZINC000924034622 613183852 /nfs/dbraw/zinc/18/38/52/613183852.db2.gz FBNIXNWMDWKHPD-OLZOCXBDSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555390 613190483 /nfs/dbraw/zinc/19/04/83/613190483.db2.gz PMXYCJYROZPRNP-FQUUOJAGSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555390 613190486 /nfs/dbraw/zinc/19/04/86/613190486.db2.gz PMXYCJYROZPRNP-FQUUOJAGSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2CCC2)C1 ZINC000885509031 613192741 /nfs/dbraw/zinc/19/27/41/613192741.db2.gz OVBYZLGVQRPFJN-NSHDSACASA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2CCC2)C1 ZINC000885509031 613192742 /nfs/dbraw/zinc/19/27/42/613192742.db2.gz OVBYZLGVQRPFJN-NSHDSACASA-N 1 2 256.371 0.556 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847938110 613196404 /nfs/dbraw/zinc/19/64/04/613196404.db2.gz CPJAQLZTVOPFIS-ZDUSSCGKSA-N 1 2 287.367 0.156 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891038370 613201410 /nfs/dbraw/zinc/20/14/10/613201410.db2.gz MKZWBXGYMLNJNP-MCIONIFRSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891038370 613201412 /nfs/dbraw/zinc/20/14/12/613201412.db2.gz MKZWBXGYMLNJNP-MCIONIFRSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccn1 ZINC000908477734 613201542 /nfs/dbraw/zinc/20/15/42/613201542.db2.gz MBESPZUTXUTUEQ-KBPBESRZSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccn1 ZINC000908477734 613201543 /nfs/dbraw/zinc/20/15/43/613201543.db2.gz MBESPZUTXUTUEQ-KBPBESRZSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2ccnc21 ZINC000908520120 613202403 /nfs/dbraw/zinc/20/24/03/613202403.db2.gz MMFRNDUPXXEQJR-RYUDHWBXSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2ccnc21 ZINC000908520120 613202405 /nfs/dbraw/zinc/20/24/05/613202405.db2.gz MMFRNDUPXXEQJR-RYUDHWBXSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972291097 613213115 /nfs/dbraw/zinc/21/31/15/613213115.db2.gz MMYKKWODDVJTEB-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972291097 613213116 /nfs/dbraw/zinc/21/31/16/613213116.db2.gz MMYKKWODDVJTEB-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957780243 613235903 /nfs/dbraw/zinc/23/59/03/613235903.db2.gz NQIFUPYFVCCOLX-ZJUUUORDSA-N 1 2 277.162 0.324 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957780243 613235905 /nfs/dbraw/zinc/23/59/05/613235905.db2.gz NQIFUPYFVCCOLX-ZJUUUORDSA-N 1 2 277.162 0.324 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000852746698 613323900 /nfs/dbraw/zinc/32/39/00/613323900.db2.gz QDNFKOAICNQDOS-UHFFFAOYSA-N 1 2 252.343 0.418 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000852746698 613323901 /nfs/dbraw/zinc/32/39/01/613323901.db2.gz QDNFKOAICNQDOS-UHFFFAOYSA-N 1 2 252.343 0.418 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000815055767 613325905 /nfs/dbraw/zinc/32/59/05/613325905.db2.gz NCJJBJLPLYQMSU-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000815055767 613325906 /nfs/dbraw/zinc/32/59/06/613325906.db2.gz NCJJBJLPLYQMSU-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300501 613330228 /nfs/dbraw/zinc/33/02/28/613330228.db2.gz FFXIFKHLLUEVAJ-SNVBAGLBSA-N 1 2 264.247 0.389 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880300501 613330229 /nfs/dbraw/zinc/33/02/29/613330229.db2.gz FFXIFKHLLUEVAJ-SNVBAGLBSA-N 1 2 264.247 0.389 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440272 613333476 /nfs/dbraw/zinc/33/34/76/613333476.db2.gz UMDRZPKBXARHFS-QWRGUYRKSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440272 613333478 /nfs/dbraw/zinc/33/34/78/613333478.db2.gz UMDRZPKBXARHFS-QWRGUYRKSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)CONC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000845594033 613353608 /nfs/dbraw/zinc/35/36/08/613353608.db2.gz AOYDIJZUPJEQGT-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867998127 613362006 /nfs/dbraw/zinc/36/20/06/613362006.db2.gz PRDIFUCRJJFTOW-XJNRFOTBSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913555492 613362935 /nfs/dbraw/zinc/36/29/35/613362935.db2.gz FMENTEDXCJGIPI-JHJVBQTASA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913555492 613362936 /nfs/dbraw/zinc/36/29/36/613362936.db2.gz FMENTEDXCJGIPI-JHJVBQTASA-N 1 2 268.357 0.103 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249119 613373515 /nfs/dbraw/zinc/37/35/15/613373515.db2.gz PWDGMASYHRAGPS-UHFFFAOYSA-N 1 2 283.763 0.565 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249119 613373516 /nfs/dbraw/zinc/37/35/16/613373516.db2.gz PWDGMASYHRAGPS-UHFFFAOYSA-N 1 2 283.763 0.565 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC000966382448 613377834 /nfs/dbraw/zinc/37/78/34/613377834.db2.gz DQTOBTFRMGDPMR-CMPLNLGQSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC000966382448 613377835 /nfs/dbraw/zinc/37/78/35/613377835.db2.gz DQTOBTFRMGDPMR-CMPLNLGQSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999918 613380096 /nfs/dbraw/zinc/38/00/96/613380096.db2.gz PUGRKJQABTYGEJ-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999918 613380097 /nfs/dbraw/zinc/38/00/97/613380097.db2.gz PUGRKJQABTYGEJ-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641383 613399218 /nfs/dbraw/zinc/39/92/18/613399218.db2.gz CNXXQLBBYUUWKX-ZRUFSTJUSA-N 1 2 253.298 0.455 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641383 613399222 /nfs/dbraw/zinc/39/92/22/613399222.db2.gz CNXXQLBBYUUWKX-ZRUFSTJUSA-N 1 2 253.298 0.455 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000968275809 613401623 /nfs/dbraw/zinc/40/16/23/613401623.db2.gz SPWKAHVGBIEBQK-NEPJUHHUSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@H]2C)C1 ZINC000968275809 613401625 /nfs/dbraw/zinc/40/16/25/613401625.db2.gz SPWKAHVGBIEBQK-NEPJUHHUSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)C(=O)OC ZINC000905757662 613405540 /nfs/dbraw/zinc/40/55/40/613405540.db2.gz TXSQGIYBZMIXKR-HTAVTVPLSA-N 1 2 268.357 0.999 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)C(=O)OC ZINC000905778518 613405752 /nfs/dbraw/zinc/40/57/52/613405752.db2.gz RIKUJLLAYVQOKR-LLVKDONJSA-N 1 2 290.385 0.119 20 30 CCEDLO C=CC[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)OC ZINC000878410734 613406285 /nfs/dbraw/zinc/40/62/85/613406285.db2.gz AEBAUQMOXZUNIV-NEPJUHHUSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](CCF)CC2(C)C)nn1 ZINC000977276643 613431534 /nfs/dbraw/zinc/43/15/34/613431534.db2.gz ZYXYMUFNPJDLKF-LBPRGKRZSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CCF)CC2(C)C)nn1 ZINC000977276643 613431537 /nfs/dbraw/zinc/43/15/37/613431537.db2.gz ZYXYMUFNPJDLKF-LBPRGKRZSA-N 1 2 295.362 0.874 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000800347043 613441824 /nfs/dbraw/zinc/44/18/24/613441824.db2.gz RRQWUTZRWJWVFN-JTQLQIEISA-N 1 2 252.314 0.316 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823310933 613452704 /nfs/dbraw/zinc/45/27/04/613452704.db2.gz HGVKOJMJZBRZFO-GHMZBOCLSA-N 1 2 251.330 0.961 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453001 613463477 /nfs/dbraw/zinc/46/34/77/613463477.db2.gz HWECWGULZSYSFZ-UPJWGTAASA-N 1 2 276.340 0.474 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854220551 613485521 /nfs/dbraw/zinc/48/55/21/613485521.db2.gz VTNPCGWOUJNTHS-NWDGAFQWSA-N 1 2 269.345 0.609 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875700941 613486569 /nfs/dbraw/zinc/48/65/69/613486569.db2.gz SSYQEHMUOORYQE-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875700941 613486573 /nfs/dbraw/zinc/48/65/73/613486573.db2.gz SSYQEHMUOORYQE-RYUDHWBXSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000854220750 613486761 /nfs/dbraw/zinc/48/67/61/613486761.db2.gz ZBFUVMJRQSHHIP-SRVKXCTJSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000854220750 613486762 /nfs/dbraw/zinc/48/67/62/613486762.db2.gz ZBFUVMJRQSHHIP-SRVKXCTJSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865632923 613492703 /nfs/dbraw/zinc/49/27/03/613492703.db2.gz VGNMNMWEXTXCKH-ZYHUDNBSSA-N 1 2 252.318 0.094 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889216 613494427 /nfs/dbraw/zinc/49/44/27/613494427.db2.gz JVBNQSVIAOOALI-STQMWFEESA-N 1 2 264.300 0.846 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883523 613572631 /nfs/dbraw/zinc/57/26/31/613572631.db2.gz KKYMMOHNNQJNGE-JTQLQIEISA-N 1 2 253.302 0.162 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884034 613578544 /nfs/dbraw/zinc/57/85/44/613578544.db2.gz OFXGUVGZVTYLMA-WDEREUQCSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801932021 613650470 /nfs/dbraw/zinc/65/04/70/613650470.db2.gz FTPOLDYGGQYFNV-VXGBXAGGSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801932021 613650471 /nfs/dbraw/zinc/65/04/71/613650471.db2.gz FTPOLDYGGQYFNV-VXGBXAGGSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC000951125785 613655429 /nfs/dbraw/zinc/65/54/29/613655429.db2.gz DRYBSMKTTXNPGW-RYUDHWBXSA-N 1 2 265.357 0.217 20 30 CCEDLO CC(=[NH+]NCCS(C)(=O)=O)c1cc(N)ccc1F ZINC000814847872 613655851 /nfs/dbraw/zinc/65/58/51/613655851.db2.gz IEXMZOHBQQXYCH-UHFFFAOYSA-N 1 2 273.333 0.766 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]ncc2F)C1 ZINC000970376723 613673767 /nfs/dbraw/zinc/67/37/67/613673767.db2.gz MGHZLXPMRBJTPK-QMMMGPOBSA-N 1 2 252.293 0.785 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(CC)nn2C)CC1 ZINC000949406376 613709215 /nfs/dbraw/zinc/70/92/15/613709215.db2.gz NSLJYMWAYBYDOF-UHFFFAOYSA-N 1 2 276.384 0.855 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000957311370 613711848 /nfs/dbraw/zinc/71/18/48/613711848.db2.gz LYQQLIMBKCGRIL-LLVKDONJSA-N 1 2 275.356 0.240 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC000950524371 613713227 /nfs/dbraw/zinc/71/32/27/613713227.db2.gz MXLXLEITDSUMKP-NEPJUHHUSA-N 1 2 265.357 0.041 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000949593828 613718456 /nfs/dbraw/zinc/71/84/56/613718456.db2.gz QFTPWYUEPUWJRF-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC000948649395 613718734 /nfs/dbraw/zinc/71/87/34/613718734.db2.gz NKXZCQQMGMBDOC-UHFFFAOYSA-N 1 2 260.341 0.773 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3)C2)C1 ZINC000972354962 613724163 /nfs/dbraw/zinc/72/41/63/613724163.db2.gz ILJSBVIKAIFOIJ-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3)C2)C1 ZINC000972354962 613724164 /nfs/dbraw/zinc/72/41/64/613724164.db2.gz ILJSBVIKAIFOIJ-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]cc3C)C2)C1 ZINC000972379901 613727293 /nfs/dbraw/zinc/72/72/93/613727293.db2.gz BHXIZMBUOWWNQZ-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]cc3C)C2)C1 ZINC000972379901 613727295 /nfs/dbraw/zinc/72/72/95/613727295.db2.gz BHXIZMBUOWWNQZ-OAHLLOKOSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC000907958564 613776348 /nfs/dbraw/zinc/77/63/48/613776348.db2.gz GTEWYIJNIMZLGF-NSHDSACASA-N 1 2 262.313 0.198 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](COC)C1 ZINC000884132816 613877611 /nfs/dbraw/zinc/87/76/11/613877611.db2.gz BHLGNGMSSJBSHK-NEPJUHHUSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CCF)C1 ZINC000884439279 613877822 /nfs/dbraw/zinc/87/78/22/613877822.db2.gz AFIVVNRMXZDXSU-QWRGUYRKSA-N 1 2 288.319 0.020 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)OC[C@@H]1CC ZINC000884381567 613878053 /nfs/dbraw/zinc/87/80/53/613878053.db2.gz JSOISRLWGKIDTQ-XQQFMLRXSA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000884458478 613878525 /nfs/dbraw/zinc/87/85/25/613878525.db2.gz GBKGAFJQHICNJX-CHWFTXMASA-N 1 2 270.329 0.115 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000884376777 613878636 /nfs/dbraw/zinc/87/86/36/613878636.db2.gz QBUMPURKIRGWRD-YFKTTZPYSA-N 1 2 266.341 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000884369992 613878690 /nfs/dbraw/zinc/87/86/90/613878690.db2.gz WHJCYFXDIYXJNI-SDDRHHMPSA-N 1 2 266.341 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000884168670 613878826 /nfs/dbraw/zinc/87/88/26/613878826.db2.gz LCTXYPFOSWTPNQ-RWSFTLGLSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)nn1CC ZINC000884440578 613878911 /nfs/dbraw/zinc/87/89/11/613878911.db2.gz LRRXTWMOGRGPCC-JTQLQIEISA-N 1 2 280.328 0.597 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000880587585 614183729 /nfs/dbraw/zinc/18/37/29/614183729.db2.gz MTKOBGBLLUTKFI-WFASDCNBSA-N 1 2 296.415 0.873 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000880587585 614183731 /nfs/dbraw/zinc/18/37/31/614183731.db2.gz MTKOBGBLLUTKFI-WFASDCNBSA-N 1 2 296.415 0.873 20 30 CCEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000974674082 614609347 /nfs/dbraw/zinc/60/93/47/614609347.db2.gz HTNXGEFMIAPZMB-NQBHXWOUSA-N 1 2 287.367 0.863 20 30 CCEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000974674082 614609351 /nfs/dbraw/zinc/60/93/51/614609351.db2.gz HTNXGEFMIAPZMB-NQBHXWOUSA-N 1 2 287.367 0.863 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(CC#N)C1 ZINC000950549376 614652201 /nfs/dbraw/zinc/65/22/01/614652201.db2.gz CDZUHZCSMQSPEP-VXGBXAGGSA-N 1 2 273.340 0.569 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(CC#N)C1 ZINC000950549376 614652202 /nfs/dbraw/zinc/65/22/02/614652202.db2.gz CDZUHZCSMQSPEP-VXGBXAGGSA-N 1 2 273.340 0.569 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531902 615021638 /nfs/dbraw/zinc/02/16/38/615021638.db2.gz YEBMFFZMIMSSBV-JSGCOSHPSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880531902 615021640 /nfs/dbraw/zinc/02/16/40/615021640.db2.gz YEBMFFZMIMSSBV-JSGCOSHPSA-N 1 2 292.383 0.349 20 30 CCEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931329474 615033317 /nfs/dbraw/zinc/03/33/17/615033317.db2.gz UTXQMZMDGLCCHS-MCIONIFRSA-N 1 2 295.383 0.675 20 30 CCEDLO CCN1CC[N@H+](CCO[C@@H](C)C#N)C(C)(C)C1=O ZINC000801945708 615158493 /nfs/dbraw/zinc/15/84/93/615158493.db2.gz JLDRJHHWHYJLKF-NSHDSACASA-N 1 2 253.346 0.858 20 30 CCEDLO CCN1CC[N@@H+](CCO[C@@H](C)C#N)C(C)(C)C1=O ZINC000801945708 615158494 /nfs/dbraw/zinc/15/84/94/615158494.db2.gz JLDRJHHWHYJLKF-NSHDSACASA-N 1 2 253.346 0.858 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccnc(C#N)c2)C1 ZINC000805476056 615186207 /nfs/dbraw/zinc/18/62/07/615186207.db2.gz HRKOSQBZEVCCQS-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccnc(C#N)c2)C1 ZINC000805476056 615186209 /nfs/dbraw/zinc/18/62/09/615186209.db2.gz HRKOSQBZEVCCQS-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO CCOCCOCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000930629949 615273071 /nfs/dbraw/zinc/27/30/71/615273071.db2.gz HFSGDCYLKQZFRA-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCc1nc(C#N)cs1 ZINC000902444440 615326474 /nfs/dbraw/zinc/32/64/74/615326474.db2.gz HLUNYYXRURHCHI-GXSJLCMTSA-N 1 2 280.353 0.398 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000925599044 615477819 /nfs/dbraw/zinc/47/78/19/615477819.db2.gz WLANTMFUXDHAKS-GXTWGEPZSA-N 1 2 298.362 0.744 20 30 CCEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)NCCC#N ZINC000844384953 615566316 /nfs/dbraw/zinc/56/63/16/615566316.db2.gz YPVZWCAHSHDKBT-LLVKDONJSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)NCCC#N ZINC000844384953 615566317 /nfs/dbraw/zinc/56/63/17/615566317.db2.gz YPVZWCAHSHDKBT-LLVKDONJSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874710098 615926112 /nfs/dbraw/zinc/92/61/12/615926112.db2.gz FHUMXYRLRXQBFE-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874710098 615926114 /nfs/dbraw/zinc/92/61/14/615926114.db2.gz FHUMXYRLRXQBFE-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730583 616039987 /nfs/dbraw/zinc/03/99/87/616039987.db2.gz XTXKYAHMVGSDBH-LLVKDONJSA-N 1 2 275.356 0.744 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](CO)C1 ZINC000912741527 616230162 /nfs/dbraw/zinc/23/01/62/616230162.db2.gz WYCWQTPXRBUNDY-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](CO)C1 ZINC000912741527 616230163 /nfs/dbraw/zinc/23/01/63/616230163.db2.gz WYCWQTPXRBUNDY-GFCCVEGCSA-N 1 2 293.754 0.960 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158292 616517645 /nfs/dbraw/zinc/51/76/45/616517645.db2.gz WESISCLOCBKFRC-UPJWGTAASA-N 1 2 296.367 0.430 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158292 616517646 /nfs/dbraw/zinc/51/76/46/616517646.db2.gz WESISCLOCBKFRC-UPJWGTAASA-N 1 2 296.367 0.430 20 30 CCEDLO COCCOC1C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905948427 616526260 /nfs/dbraw/zinc/52/62/60/616526260.db2.gz FIQGNTDPIMBRPW-GFCCVEGCSA-N 1 2 268.357 0.778 20 30 CCEDLO COCCOc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895191530 616594113 /nfs/dbraw/zinc/59/41/13/616594113.db2.gz ARSQQEVPVWBQHX-LLVKDONJSA-N 1 2 284.312 0.775 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC000854931143 616726865 /nfs/dbraw/zinc/72/68/65/616726865.db2.gz QYUTXXAJZOZJDS-UHFFFAOYSA-N 1 2 282.384 0.451 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCOCCC#N)O1 ZINC000933201560 616958487 /nfs/dbraw/zinc/95/84/87/616958487.db2.gz PXUIQRMBKCSSPV-SOUVJXGZSA-N 1 2 298.383 0.811 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCOCCC#N)O1 ZINC000933201560 616958492 /nfs/dbraw/zinc/95/84/92/616958492.db2.gz PXUIQRMBKCSSPV-SOUVJXGZSA-N 1 2 298.383 0.811 20 30 CCEDLO CON=CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000809705550 617104831 /nfs/dbraw/zinc/10/48/31/617104831.db2.gz WYNKYMPVOVXUSI-UHFFFAOYSA-N 1 2 260.297 0.934 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000972516225 622921374 /nfs/dbraw/zinc/92/13/74/622921374.db2.gz KEADQMLXENAFSZ-AAEUAGOBSA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000972516225 622921389 /nfs/dbraw/zinc/92/13/89/622921389.db2.gz KEADQMLXENAFSZ-AAEUAGOBSA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@H]1CCN(C(=O)NCC#CCO)C[C@@H]1n1cc[nH+]c1 ZINC000923776236 623327491 /nfs/dbraw/zinc/32/74/91/623327491.db2.gz PSNBOPOIINFPPA-STQMWFEESA-N 1 2 276.340 0.471 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007704736 623846513 /nfs/dbraw/zinc/84/65/13/623846513.db2.gz KVEWVMRCMRQDGD-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC000970129649 624613022 /nfs/dbraw/zinc/61/30/22/624613022.db2.gz PAPAPFWJFXYSTD-VXGBXAGGSA-N 1 2 261.329 0.548 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971222698 624829013 /nfs/dbraw/zinc/82/90/13/624829013.db2.gz ZRVDIAXBVKGSKZ-YPMHNXCESA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971222698 624829015 /nfs/dbraw/zinc/82/90/15/624829015.db2.gz ZRVDIAXBVKGSKZ-YPMHNXCESA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N(C)C1CCCCC1 ZINC000121322041 624847319 /nfs/dbraw/zinc/84/73/19/624847319.db2.gz VEXKXVUSWUAJAC-SNVBAGLBSA-N 1 2 271.361 0.837 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001022492767 625008835 /nfs/dbraw/zinc/00/88/35/625008835.db2.gz HUSKRTOOENPZOB-MJBXVCDLSA-N 1 2 294.399 0.248 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001022492767 625008838 /nfs/dbraw/zinc/00/88/38/625008838.db2.gz HUSKRTOOENPZOB-MJBXVCDLSA-N 1 2 294.399 0.248 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027503792 625925117 /nfs/dbraw/zinc/92/51/17/625925117.db2.gz WZMORHZCCHYAKO-ZDUSSCGKSA-N 1 2 289.383 0.799 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027690876 630855029 /nfs/dbraw/zinc/85/50/29/630855029.db2.gz JZTOKMUBPKYGTE-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027690876 630855035 /nfs/dbraw/zinc/85/50/35/630855035.db2.gz JZTOKMUBPKYGTE-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027758186 630898051 /nfs/dbraw/zinc/89/80/51/630898051.db2.gz SHYMSZONNUCZIF-VXGBXAGGSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027758186 630898056 /nfs/dbraw/zinc/89/80/56/630898056.db2.gz SHYMSZONNUCZIF-VXGBXAGGSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027848143 630975949 /nfs/dbraw/zinc/97/59/49/630975949.db2.gz RBWOTYRGQBOTEE-CYBMUJFWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027848143 630975953 /nfs/dbraw/zinc/97/59/53/630975953.db2.gz RBWOTYRGQBOTEE-CYBMUJFWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001027851962 630979143 /nfs/dbraw/zinc/97/91/43/630979143.db2.gz YXQGLWZFHPYYDN-JTQLQIEISA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001027851962 630979150 /nfs/dbraw/zinc/97/91/50/630979150.db2.gz YXQGLWZFHPYYDN-JTQLQIEISA-N 1 2 299.758 0.925 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000982116107 631377605 /nfs/dbraw/zinc/37/76/05/631377605.db2.gz GJFMGWOGTFQYHW-UHFFFAOYSA-N 1 2 287.367 0.411 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968697546 650026301 /nfs/dbraw/zinc/02/63/01/650026301.db2.gz GXJDKBNEOXWLEY-NEPJUHHUSA-N 1 2 261.329 0.233 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cs1 ZINC000894800733 631830119 /nfs/dbraw/zinc/83/01/19/631830119.db2.gz QZKSEHCVOQCFCB-VXGBXAGGSA-N 1 2 277.349 0.709 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cs1 ZINC000894800733 631830121 /nfs/dbraw/zinc/83/01/21/631830121.db2.gz QZKSEHCVOQCFCB-VXGBXAGGSA-N 1 2 277.349 0.709 20 30 CCEDLO N#Cc1ccc(O)c(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000896821973 632328807 /nfs/dbraw/zinc/32/88/07/632328807.db2.gz XVENSVUTFWZEPP-LBPRGKRZSA-N 1 2 287.319 0.923 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H](CC#N)C(F)(F)F ZINC000928808621 632613068 /nfs/dbraw/zinc/61/30/68/632613068.db2.gz WPZABYVUOBVOOJ-MRVPVSSYSA-N 1 2 260.219 0.923 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007623472 650086455 /nfs/dbraw/zinc/08/64/55/650086455.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007623472 650086459 /nfs/dbraw/zinc/08/64/59/650086459.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 1 2 293.411 0.309 20 30 CCEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987441120 632867392 /nfs/dbraw/zinc/86/73/92/632867392.db2.gz NZXFENJBNQOALV-YPMHNXCESA-N 1 2 275.356 0.455 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H](NCC#N)C[C@H]1C ZINC000989039415 633139860 /nfs/dbraw/zinc/13/98/60/633139860.db2.gz FMJPUVBCRJONSL-DGCLKSJQSA-N 1 2 288.351 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008412597 650113775 /nfs/dbraw/zinc/11/37/75/650113775.db2.gz QYOCXHIMGCYTLG-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008412597 650113776 /nfs/dbraw/zinc/11/37/76/650113776.db2.gz QYOCXHIMGCYTLG-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C#N)n1C ZINC000898891385 633685289 /nfs/dbraw/zinc/68/52/89/633685289.db2.gz HXRLBGVJSHEHNV-JTQLQIEISA-N 1 2 273.296 0.094 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899059547 633728641 /nfs/dbraw/zinc/72/86/41/633728641.db2.gz MXVSDSQOTJHWFT-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899059547 633728648 /nfs/dbraw/zinc/72/86/48/633728648.db2.gz MXVSDSQOTJHWFT-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]3COC[C@@H]3O2)nn1 ZINC000900624557 634056554 /nfs/dbraw/zinc/05/65/54/634056554.db2.gz YVDDXMQWJAENIK-UBHSHLNASA-N 1 2 276.340 0.195 20 30 CCEDLO N#CCN1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900778041 634086214 /nfs/dbraw/zinc/08/62/14/634086214.db2.gz ZOUUUHDALUDGCD-UHFFFAOYSA-N 1 2 259.313 0.161 20 30 CCEDLO NC(=[NH+]OCC[C@H]1CCNC1=O)c1ccc(F)cc1 ZINC000902175557 634324460 /nfs/dbraw/zinc/32/44/60/634324460.db2.gz HTUVOMLSJZMHPN-SNVBAGLBSA-N 1 2 265.288 0.989 20 30 CCEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#CCO)c1 ZINC000907529660 635144031 /nfs/dbraw/zinc/14/40/31/635144031.db2.gz USUXMRHWNLXRKD-OAHLLOKOSA-N 1 2 295.342 0.972 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000911526103 636287545 /nfs/dbraw/zinc/28/75/45/636287545.db2.gz DTBLJHSDKZIJSC-CYBMUJFWSA-N 1 2 260.297 0.371 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010673331 650252875 /nfs/dbraw/zinc/25/28/75/650252875.db2.gz YLAVDIODLWLKBT-GFCCVEGCSA-N 1 2 287.791 0.262 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010673331 650252876 /nfs/dbraw/zinc/25/28/76/650252876.db2.gz YLAVDIODLWLKBT-GFCCVEGCSA-N 1 2 287.791 0.262 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C#CC3CC3)CC[NH2+]2)cn1 ZINC000913460678 636815010 /nfs/dbraw/zinc/81/50/10/636815010.db2.gz PPIVGYCAUBYUQA-CYBMUJFWSA-N 1 2 258.325 0.306 20 30 CCEDLO N#CC1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CCCC1 ZINC000913444524 636815828 /nfs/dbraw/zinc/81/58/28/636815828.db2.gz YAERVOAUNVYYIO-GFCCVEGCSA-N 1 2 273.340 0.967 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C(C)(C)C#N)CC[NH2+]2)cn1 ZINC000913466936 636819736 /nfs/dbraw/zinc/81/97/36/636819736.db2.gz HAOMKOZGRHFJSN-LLVKDONJSA-N 1 2 261.329 0.443 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1C#N ZINC000913543217 636840953 /nfs/dbraw/zinc/84/09/53/636840953.db2.gz BZYNIWBMWYKPSX-CQSZACIVSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1C#N ZINC000913543217 636840957 /nfs/dbraw/zinc/84/09/57/636840957.db2.gz BZYNIWBMWYKPSX-CQSZACIVSA-N 1 2 273.336 0.615 20 30 CCEDLO C#CCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000173865785 637230703 /nfs/dbraw/zinc/23/07/03/637230703.db2.gz CBLAGLWZPPGUEF-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992520276 637462030 /nfs/dbraw/zinc/46/20/30/637462030.db2.gz FVXBWMSGIFCKKX-GXTWGEPZSA-N 1 2 273.340 0.520 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)[C@H]1C ZINC000993388499 637798723 /nfs/dbraw/zinc/79/87/23/637798723.db2.gz DTVFKGNFVPMMPX-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)[C@H]1C ZINC000993388499 637798726 /nfs/dbraw/zinc/79/87/26/637798726.db2.gz DTVFKGNFVPMMPX-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993747926 637841572 /nfs/dbraw/zinc/84/15/72/637841572.db2.gz OXASFCJONVOSPH-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993747926 637841574 /nfs/dbraw/zinc/84/15/74/637841574.db2.gz OXASFCJONVOSPH-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1CC#N ZINC000994099130 637869156 /nfs/dbraw/zinc/86/91/56/637869156.db2.gz KSRDJAYMUOZKBW-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014488219 650456088 /nfs/dbraw/zinc/45/60/88/650456088.db2.gz BUDCCPDPHDFELE-GFCCVEGCSA-N 1 2 287.367 0.476 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000431554 639085916 /nfs/dbraw/zinc/08/59/16/639085916.db2.gz ZPFFINKGRKQTRB-VXGBXAGGSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](NCC#N)C1 ZINC001000431554 639085918 /nfs/dbraw/zinc/08/59/18/639085918.db2.gz ZPFFINKGRKQTRB-VXGBXAGGSA-N 1 2 275.356 0.692 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NC1CCN(CC#N)CC1 ZINC001003134827 639510397 /nfs/dbraw/zinc/51/03/97/639510397.db2.gz QWPPSUHDQFRMBT-UHFFFAOYSA-N 1 2 288.351 0.737 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968431 650508723 /nfs/dbraw/zinc/50/87/23/650508723.db2.gz OCFGPSUPKSVEIS-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968431 650508725 /nfs/dbraw/zinc/50/87/25/650508725.db2.gz OCFGPSUPKSVEIS-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCF)CC1 ZINC001005518951 639915429 /nfs/dbraw/zinc/91/54/29/639915429.db2.gz PMFPCIAMFSBXRS-HNNXBMFYSA-N 1 2 295.402 0.976 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCF)CC1 ZINC001005518951 639915437 /nfs/dbraw/zinc/91/54/37/639915437.db2.gz PMFPCIAMFSBXRS-HNNXBMFYSA-N 1 2 295.402 0.976 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001014857154 640070095 /nfs/dbraw/zinc/07/00/95/640070095.db2.gz SNYCINPBTGTLQW-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001014857154 640070098 /nfs/dbraw/zinc/07/00/98/640070098.db2.gz SNYCINPBTGTLQW-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(CC#N)CC1 ZINC001006192369 640199538 /nfs/dbraw/zinc/19/95/38/640199538.db2.gz KNAYRKYVDGUHKF-UHFFFAOYSA-N 1 2 261.329 0.399 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001015493230 650573013 /nfs/dbraw/zinc/57/30/13/650573013.db2.gz NSNNVYFGQPYGOK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001015493230 650573016 /nfs/dbraw/zinc/57/30/16/650573016.db2.gz NSNNVYFGQPYGOK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015625522 650595102 /nfs/dbraw/zinc/59/51/02/650595102.db2.gz BAJRSWDHHGRSCW-SECBINFHSA-N 1 2 282.731 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015625522 650595104 /nfs/dbraw/zinc/59/51/04/650595104.db2.gz BAJRSWDHHGRSCW-SECBINFHSA-N 1 2 282.731 0.327 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000804499002 640769950 /nfs/dbraw/zinc/76/99/50/640769950.db2.gz XBXTZNFKNIUSED-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001015783339 650629453 /nfs/dbraw/zinc/62/94/53/650629453.db2.gz NGZRYOOJGJYYIZ-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001015783339 650629456 /nfs/dbraw/zinc/62/94/56/650629456.db2.gz NGZRYOOJGJYYIZ-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001015924560 650657243 /nfs/dbraw/zinc/65/72/43/650657243.db2.gz NHFHRAMLVMIGJX-SNVBAGLBSA-N 1 2 284.747 0.864 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001015924560 650657247 /nfs/dbraw/zinc/65/72/47/650657247.db2.gz NHFHRAMLVMIGJX-SNVBAGLBSA-N 1 2 284.747 0.864 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016021742 650675933 /nfs/dbraw/zinc/67/59/33/650675933.db2.gz AIYRFNYKINTYGR-UWVGGRQHSA-N 1 2 271.748 0.208 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016021742 650675935 /nfs/dbraw/zinc/67/59/35/650675935.db2.gz AIYRFNYKINTYGR-UWVGGRQHSA-N 1 2 271.748 0.208 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000826647997 641949056 /nfs/dbraw/zinc/94/90/56/641949056.db2.gz XPUOCOVOFTUKGZ-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000828071076 642063576 /nfs/dbraw/zinc/06/35/76/642063576.db2.gz LWPLGCOCZJCABW-HXUWFJFHSA-N 1 2 292.408 0.449 20 30 CCEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)CCO)no1 ZINC000121413017 642666437 /nfs/dbraw/zinc/66/64/37/642666437.db2.gz BIAXXUQZHFJHTN-UHFFFAOYSA-N 1 2 283.313 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1COC(=O)C1 ZINC001017476649 650805030 /nfs/dbraw/zinc/80/50/30/650805030.db2.gz SZDQEGUDBYOFCP-RWMBFGLXSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1COC(=O)C1 ZINC001017476649 650805032 /nfs/dbraw/zinc/80/50/32/650805032.db2.gz SZDQEGUDBYOFCP-RWMBFGLXSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CC1 ZINC001017518283 650807815 /nfs/dbraw/zinc/80/78/15/650807815.db2.gz OXVGVRRPMSGHTG-MJBXVCDLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CC1 ZINC001017518283 650807816 /nfs/dbraw/zinc/80/78/16/650807816.db2.gz OXVGVRRPMSGHTG-MJBXVCDLSA-N 1 2 262.353 0.720 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000843461717 643066490 /nfs/dbraw/zinc/06/64/90/643066490.db2.gz WIUDJTPBVOVZEO-VDDIYKPWSA-N 1 2 259.313 0.057 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(N(C)C)cn1 ZINC001017552575 650810559 /nfs/dbraw/zinc/81/05/59/650810559.db2.gz PTCRRDNEBLLTTJ-BETUJISGSA-N 1 2 299.378 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(N(C)C)cn1 ZINC001017552575 650810563 /nfs/dbraw/zinc/81/05/63/650810563.db2.gz PTCRRDNEBLLTTJ-BETUJISGSA-N 1 2 299.378 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001017638617 650815543 /nfs/dbraw/zinc/81/55/43/650815543.db2.gz DOZBNPUKYUPKSX-TXEJJXNPSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001017638617 650815544 /nfs/dbraw/zinc/81/55/44/650815544.db2.gz DOZBNPUKYUPKSX-TXEJJXNPSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001017772119 650821677 /nfs/dbraw/zinc/82/16/77/650821677.db2.gz JYCCTWHMJCUGRM-BYNSBNAKSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001017772119 650821680 /nfs/dbraw/zinc/82/16/80/650821680.db2.gz JYCCTWHMJCUGRM-BYNSBNAKSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001018045557 650841132 /nfs/dbraw/zinc/84/11/32/650841132.db2.gz KCJZGEIFCJKIKE-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001018045557 650841135 /nfs/dbraw/zinc/84/11/35/650841135.db2.gz KCJZGEIFCJKIKE-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001018102108 650843537 /nfs/dbraw/zinc/84/35/37/650843537.db2.gz JKVSTDJEHJQGCN-IGQOVBAYSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001018102108 650843540 /nfs/dbraw/zinc/84/35/40/650843540.db2.gz JKVSTDJEHJQGCN-IGQOVBAYSA-N 1 2 262.353 0.720 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC#N)c1 ZINC000847409052 643515907 /nfs/dbraw/zinc/51/59/07/643515907.db2.gz PTCXCYNEYHXDBP-SECBINFHSA-N 1 2 258.285 0.947 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC#N)c1 ZINC000847409052 643515912 /nfs/dbraw/zinc/51/59/12/643515912.db2.gz PTCXCYNEYHXDBP-SECBINFHSA-N 1 2 258.285 0.947 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000279491567 650983796 /nfs/dbraw/zinc/98/37/96/650983796.db2.gz PGZHFLOJOZGMRM-UHFFFAOYSA-N 1 2 267.354 0.873 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCCOC1 ZINC000865140334 645327685 /nfs/dbraw/zinc/32/76/85/645327685.db2.gz XXKCBSFQGWDTQS-HNNXBMFYSA-N 1 2 287.319 0.992 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCOC1 ZINC000868263380 645739710 /nfs/dbraw/zinc/73/97/10/645739710.db2.gz NOURSTZBGTXMJW-RISCZKNCSA-N 1 2 274.324 0.634 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000878817531 646985430 /nfs/dbraw/zinc/98/54/30/646985430.db2.gz GLCWPVFBEQJRSV-ZDUSSCGKSA-N 1 2 290.367 0.816 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC000879223017 647037127 /nfs/dbraw/zinc/03/71/27/647037127.db2.gz QZRDYQJZBVPADG-GHMZBOCLSA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC000879223017 647037131 /nfs/dbraw/zinc/03/71/31/647037131.db2.gz QZRDYQJZBVPADG-GHMZBOCLSA-N 1 2 296.371 0.614 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)CCC1 ZINC000886099294 647901640 /nfs/dbraw/zinc/90/16/40/647901640.db2.gz WZLUMNKTVNHHBK-QWRGUYRKSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)CCC1 ZINC000886099294 647901643 /nfs/dbraw/zinc/90/16/43/647901643.db2.gz WZLUMNKTVNHHBK-QWRGUYRKSA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@H]2CO)CCC1 ZINC000886173604 647912555 /nfs/dbraw/zinc/91/25/55/647912555.db2.gz UXYXZMZAUVXKNI-NEPJUHHUSA-N 1 2 254.330 0.124 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@H]2CO)CCC1 ZINC000886173604 647912563 /nfs/dbraw/zinc/91/25/63/647912563.db2.gz UXYXZMZAUVXKNI-NEPJUHHUSA-N 1 2 254.330 0.124 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC(=O)NCC23COC3)CCC1 ZINC000886317973 647963028 /nfs/dbraw/zinc/96/30/28/647963028.db2.gz GDPZZGWVQIBSTH-LBPRGKRZSA-N 1 2 293.367 0.022 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCC(=O)NCC23COC3)CCC1 ZINC000886317973 647963029 /nfs/dbraw/zinc/96/30/29/647963029.db2.gz GDPZZGWVQIBSTH-LBPRGKRZSA-N 1 2 293.367 0.022 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886355770 647968990 /nfs/dbraw/zinc/96/89/90/647968990.db2.gz NMBHEOIJJOXDND-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886355770 647969001 /nfs/dbraw/zinc/96/90/01/647969001.db2.gz NMBHEOIJJOXDND-JHJVBQTASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000886355772 647970131 /nfs/dbraw/zinc/97/01/31/647970131.db2.gz NMBHEOIJJOXDND-XQQFMLRXSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000886355772 647970136 /nfs/dbraw/zinc/97/01/36/647970136.db2.gz NMBHEOIJJOXDND-XQQFMLRXSA-N 1 2 298.408 0.023 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000929201976 648713057 /nfs/dbraw/zinc/71/30/57/648713057.db2.gz XUQMXYMUQWPTOY-SNVBAGLBSA-N 1 2 252.343 0.540 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000930034870 648813028 /nfs/dbraw/zinc/81/30/28/648813028.db2.gz GGRJALLRWWWUQS-UHFFFAOYSA-N 1 2 273.336 0.617 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930487702 648867325 /nfs/dbraw/zinc/86/73/25/648867325.db2.gz CXRBNTMYLKLABJ-MJBXVCDLSA-N 1 2 295.383 0.484 20 30 CCEDLO N#CC1(CCC[NH+]2CC(S(N)(=O)=O)C2)CCOCC1 ZINC000930734008 648896709 /nfs/dbraw/zinc/89/67/09/648896709.db2.gz DFHOQLKIMAFKPK-UHFFFAOYSA-N 1 2 287.385 0.060 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946906 649103719 /nfs/dbraw/zinc/10/37/19/649103719.db2.gz KCIULQPMRRWNAR-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946906 649103722 /nfs/dbraw/zinc/10/37/22/649103722.db2.gz KCIULQPMRRWNAR-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948869711 649399245 /nfs/dbraw/zinc/39/92/45/649399245.db2.gz OODKPXBMJBQSND-GHMZBOCLSA-N 1 2 259.313 0.181 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948869711 649399249 /nfs/dbraw/zinc/39/92/49/649399249.db2.gz OODKPXBMJBQSND-GHMZBOCLSA-N 1 2 259.313 0.181 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c(=O)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230015836 805575545 /nfs/dbraw/zinc/57/55/45/805575545.db2.gz DEZHFHRXDVRRLZ-WQDSJKFHSA-N 1 2 283.715 0.827 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c(=O)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230015836 805575549 /nfs/dbraw/zinc/57/55/49/805575549.db2.gz DEZHFHRXDVRRLZ-WQDSJKFHSA-N 1 2 283.715 0.827 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC001230580792 805629965 /nfs/dbraw/zinc/62/99/65/805629965.db2.gz YWQZPPFLIRVWIV-CQSZACIVSA-N 1 2 287.363 0.878 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC001230580792 805629974 /nfs/dbraw/zinc/62/99/74/805629974.db2.gz YWQZPPFLIRVWIV-CQSZACIVSA-N 1 2 287.363 0.878 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230618956 805634398 /nfs/dbraw/zinc/63/43/98/805634398.db2.gz IBOBMXJEYZXNSX-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230618956 805634402 /nfs/dbraw/zinc/63/44/02/805634402.db2.gz IBOBMXJEYZXNSX-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230633071 805637583 /nfs/dbraw/zinc/63/75/83/805637583.db2.gz CMQLUKPFQZYLAL-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230633071 805637586 /nfs/dbraw/zinc/63/75/86/805637586.db2.gz CMQLUKPFQZYLAL-STQMWFEESA-N 1 2 279.384 0.457 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1COCC2 ZINC001039035970 790425206 /nfs/dbraw/zinc/42/52/06/790425206.db2.gz QBTNQNZCAUSCPY-LLVKDONJSA-N 1 2 289.335 0.575 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1COCC2 ZINC001039035970 790425212 /nfs/dbraw/zinc/42/52/12/790425212.db2.gz QBTNQNZCAUSCPY-LLVKDONJSA-N 1 2 289.335 0.575 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001266291082 790430092 /nfs/dbraw/zinc/43/00/92/790430092.db2.gz URZYHATZFCRYCH-UHFFFAOYSA-N 1 2 283.347 0.066 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001266291082 790430099 /nfs/dbraw/zinc/43/00/99/790430099.db2.gz URZYHATZFCRYCH-UHFFFAOYSA-N 1 2 283.347 0.066 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CSCC#N)C2)on1 ZINC001266302497 790467925 /nfs/dbraw/zinc/46/79/25/790467925.db2.gz QOJOTKIJNQNLLW-NSHDSACASA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CSCC#N)C2)on1 ZINC001266302497 790467933 /nfs/dbraw/zinc/46/79/33/790467933.db2.gz QOJOTKIJNQNLLW-NSHDSACASA-N 1 2 294.380 0.930 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CSCCC)C1 ZINC001266305887 790474459 /nfs/dbraw/zinc/47/44/59/790474459.db2.gz XPMHNKFLKVKKGA-LBPRGKRZSA-N 1 2 299.440 0.622 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCCC)C1 ZINC001266305887 790474467 /nfs/dbraw/zinc/47/44/67/790474467.db2.gz XPMHNKFLKVKKGA-LBPRGKRZSA-N 1 2 299.440 0.622 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001266345434 790556295 /nfs/dbraw/zinc/55/62/95/790556295.db2.gz UBSIBAVKAQVUCG-OLZOCXBDSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001266345434 790556304 /nfs/dbraw/zinc/55/63/04/790556304.db2.gz UBSIBAVKAQVUCG-OLZOCXBDSA-N 1 2 289.379 0.117 20 30 CCEDLO N#CCN1CCC2(C[C@@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001266373366 790608850 /nfs/dbraw/zinc/60/88/50/790608850.db2.gz BNHVRYFUQZGJKY-ZDUSSCGKSA-N 1 2 287.367 0.767 20 30 CCEDLO Cc1[nH+]cc(Nc2nc(C#N)c(C#N)nc2N)cc1N ZINC001210286706 790852460 /nfs/dbraw/zinc/85/24/60/790852460.db2.gz DYFGRHYQZDSEPA-UHFFFAOYSA-N 1 2 266.268 0.831 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001266634738 791064001 /nfs/dbraw/zinc/06/40/01/791064001.db2.gz CYFPYTREVHLQFV-XYPYZODXSA-N 1 2 261.329 0.113 20 30 CCEDLO CN(CC[NH2+]Cc1cnon1)C(=O)c1c[nH]c(C#N)c1 ZINC001266680081 791128594 /nfs/dbraw/zinc/12/85/94/791128594.db2.gz BOIKNHNVGZVMNM-UHFFFAOYSA-N 1 2 274.284 0.131 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230990047 805705305 /nfs/dbraw/zinc/70/53/05/805705305.db2.gz UHKLQRVJGFXFSL-WTWVRAIASA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230990047 805705312 /nfs/dbraw/zinc/70/53/12/805705312.db2.gz UHKLQRVJGFXFSL-WTWVRAIASA-N 1 2 291.395 0.625 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)COC(C)C ZINC001231054678 805716975 /nfs/dbraw/zinc/71/69/75/805716975.db2.gz WZBRADCZXSDVOS-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)COC(C)C ZINC001231054678 805716978 /nfs/dbraw/zinc/71/69/78/805716978.db2.gz WZBRADCZXSDVOS-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001231122946 805735121 /nfs/dbraw/zinc/73/51/21/805735121.db2.gz QCXDQJHAJGJETR-VXGBXAGGSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001231122946 805735128 /nfs/dbraw/zinc/73/51/28/805735128.db2.gz QCXDQJHAJGJETR-VXGBXAGGSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001231232900 805758412 /nfs/dbraw/zinc/75/84/12/805758412.db2.gz HBRAVEWTHCXRJX-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001231232900 805758415 /nfs/dbraw/zinc/75/84/15/805758415.db2.gz HBRAVEWTHCXRJX-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001231246940 805759796 /nfs/dbraw/zinc/75/97/96/805759796.db2.gz JBLLNFUBPUMHBP-NEPJUHHUSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001231246940 805759800 /nfs/dbraw/zinc/75/98/00/805759800.db2.gz JBLLNFUBPUMHBP-NEPJUHHUSA-N 1 2 294.399 0.593 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249460 805761063 /nfs/dbraw/zinc/76/10/63/805761063.db2.gz ZYXNAUCONUNZKS-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249460 805761066 /nfs/dbraw/zinc/76/10/66/805761066.db2.gz ZYXNAUCONUNZKS-NWDGAFQWSA-N 1 2 280.372 0.157 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)CC(N)=O)C1 ZINC001277637580 805914741 /nfs/dbraw/zinc/91/47/41/805914741.db2.gz ZGHVAOLCJNUAFM-JTQLQIEISA-N 1 2 253.346 0.217 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001277660357 805932495 /nfs/dbraw/zinc/93/24/95/805932495.db2.gz RDRPUBNVJKQMCT-HNNXBMFYSA-N 1 2 295.383 0.000 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)n1 ZINC001232925730 805996087 /nfs/dbraw/zinc/99/60/87/805996087.db2.gz MKCFTONYJDBXCD-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)n1 ZINC001232925730 805996094 /nfs/dbraw/zinc/99/60/94/805996094.db2.gz MKCFTONYJDBXCD-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001233048231 806012678 /nfs/dbraw/zinc/01/26/78/806012678.db2.gz YYIGPDHJXKHDDG-UHFFFAOYSA-N 1 2 260.297 0.961 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001266928782 791362261 /nfs/dbraw/zinc/36/22/61/791362261.db2.gz XGUCRXZKOYXGLG-NXEZZACHSA-N 1 2 282.344 0.736 20 30 CCEDLO C[C@H](NCC#N)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001267208210 791673736 /nfs/dbraw/zinc/67/37/36/791673736.db2.gz MGEROXIUVMQBHM-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001267210506 791677533 /nfs/dbraw/zinc/67/75/33/791677533.db2.gz GKUOAIKIRKWPCP-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001267210506 791677536 /nfs/dbraw/zinc/67/75/36/791677536.db2.gz GKUOAIKIRKWPCP-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001267212165 791679874 /nfs/dbraw/zinc/67/98/74/791679874.db2.gz YCZNIZIZBNRMOL-JTQLQIEISA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001267212165 791679879 /nfs/dbraw/zinc/67/98/79/791679879.db2.gz YCZNIZIZBNRMOL-JTQLQIEISA-N 1 2 273.764 0.265 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233760672 806115938 /nfs/dbraw/zinc/11/59/38/806115938.db2.gz CHMDPUWWVXOQGZ-OLZOCXBDSA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233760672 806115942 /nfs/dbraw/zinc/11/59/42/806115942.db2.gz CHMDPUWWVXOQGZ-OLZOCXBDSA-N 1 2 279.384 0.587 20 30 CCEDLO C=C(C)C(=O)NCCCNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001167665959 793233957 /nfs/dbraw/zinc/23/39/57/793233957.db2.gz ZTKFQKQGQYQKQE-UHFFFAOYSA-N 1 2 290.323 0.907 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234604842 806283515 /nfs/dbraw/zinc/28/35/15/806283515.db2.gz WTZVYPFSLNRPJR-NEPJUHHUSA-N 1 2 267.373 0.749 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234604842 806283523 /nfs/dbraw/zinc/28/35/23/806283523.db2.gz WTZVYPFSLNRPJR-NEPJUHHUSA-N 1 2 267.373 0.749 20 30 CCEDLO CC(=O)[C@H](C)[NH+]1CC2(CN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277890965 806304934 /nfs/dbraw/zinc/30/49/34/806304934.db2.gz XWMVZFJVXYHCLW-LBPRGKRZSA-N 1 2 286.379 0.992 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235105127 806371294 /nfs/dbraw/zinc/37/12/94/806371294.db2.gz IRQBFEIAXMNYEH-LBPRGKRZSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235105127 806371299 /nfs/dbraw/zinc/37/12/99/806371299.db2.gz IRQBFEIAXMNYEH-LBPRGKRZSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC#C)CCOCC1 ZINC001235141001 806379350 /nfs/dbraw/zinc/37/93/50/806379350.db2.gz IQOSUWUHWUVTHA-OAHLLOKOSA-N 1 2 288.391 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC#C)CCOCC1 ZINC001235141001 806379358 /nfs/dbraw/zinc/37/93/58/806379358.db2.gz IQOSUWUHWUVTHA-OAHLLOKOSA-N 1 2 288.391 0.972 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(N)=O)CCC1 ZINC001235210753 806387569 /nfs/dbraw/zinc/38/75/69/806387569.db2.gz WHKWWZHJNMRONH-OLZOCXBDSA-N 1 2 291.395 0.587 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(N)=O)CCC1 ZINC001235210753 806387579 /nfs/dbraw/zinc/38/75/79/806387579.db2.gz WHKWWZHJNMRONH-OLZOCXBDSA-N 1 2 291.395 0.587 20 30 CCEDLO N#Cc1cnn(-c2ccccc2)c1NS(=O)(=O)CC[NH3+] ZINC001237515887 806676562 /nfs/dbraw/zinc/67/65/62/806676562.db2.gz RLNYMWMGZHQWBQ-UHFFFAOYSA-N 1 2 291.336 0.444 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001121502269 799054000 /nfs/dbraw/zinc/05/40/00/799054000.db2.gz SDCUDICUPUDZPL-FRRDWIJNSA-N 1 2 289.383 0.545 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001121502269 799054006 /nfs/dbraw/zinc/05/40/06/799054006.db2.gz SDCUDICUPUDZPL-FRRDWIJNSA-N 1 2 289.383 0.545 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122483131 799246505 /nfs/dbraw/zinc/24/65/05/799246505.db2.gz SKTZLKOGFHSAJN-FZMZJTMJSA-N 1 2 295.387 0.763 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122483131 799246508 /nfs/dbraw/zinc/24/65/08/799246508.db2.gz SKTZLKOGFHSAJN-FZMZJTMJSA-N 1 2 295.387 0.763 20 30 CCEDLO CC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)N1CC(CC#N)C1 ZINC001278168185 806737984 /nfs/dbraw/zinc/73/79/84/806737984.db2.gz OJFCPLWYONBOPV-CQSZACIVSA-N 1 2 287.367 0.849 20 30 CCEDLO CC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)N1CC(CC#N)C1 ZINC001278168185 806737987 /nfs/dbraw/zinc/73/79/87/806737987.db2.gz OJFCPLWYONBOPV-CQSZACIVSA-N 1 2 287.367 0.849 20 30 CCEDLO N#CCSCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001123786596 799474079 /nfs/dbraw/zinc/47/40/79/799474079.db2.gz CGJPIKBFSIHTCF-UHFFFAOYSA-N 1 2 295.368 0.410 20 30 CCEDLO N#Cc1cc(CNC(=O)CCc2c[nH]c[nH+]2)ccn1 ZINC001139861123 799851181 /nfs/dbraw/zinc/85/11/81/799851181.db2.gz OLTDEJGZIWFTAP-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO N#Cc1cc(CNC(=O)CCc2c[nH+]c[nH]2)ccn1 ZINC001139861123 799851185 /nfs/dbraw/zinc/85/11/85/799851185.db2.gz OLTDEJGZIWFTAP-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO Cn1cncc1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278246554 806789346 /nfs/dbraw/zinc/78/93/46/806789346.db2.gz GKSQTADNIXXJMV-AWEZNQCLSA-N 1 2 299.378 0.614 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001141657003 800027111 /nfs/dbraw/zinc/02/71/11/800027111.db2.gz WNQRXQNJYVSYGK-IHRRRGAJSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[NH2+]CCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001152059840 800486813 /nfs/dbraw/zinc/48/68/13/800486813.db2.gz UTOXGHUNMHIGDG-UHFFFAOYSA-N 1 2 293.289 0.173 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)CNC3=O)CC1 ZINC001152770530 800553963 /nfs/dbraw/zinc/55/39/63/800553963.db2.gz FJPOZHXZEIRQQR-UHFFFAOYSA-N 1 2 285.347 0.874 20 30 CCEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153001802 800579602 /nfs/dbraw/zinc/57/96/02/800579602.db2.gz XJSOZQBAXODBQA-SNVBAGLBSA-N 1 2 267.329 0.605 20 30 CCEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153001802 800579611 /nfs/dbraw/zinc/57/96/11/800579611.db2.gz XJSOZQBAXODBQA-SNVBAGLBSA-N 1 2 267.329 0.605 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154418877 800778201 /nfs/dbraw/zinc/77/82/01/800778201.db2.gz XYXDGSBFDWNVQE-GFCCVEGCSA-N 1 2 277.372 0.703 20 30 CCEDLO Cc1c[nH+]c(NCCC(=O)N2CCOCC2)c(/C=N/O)c1 ZINC001154662877 800825788 /nfs/dbraw/zinc/82/57/88/800825788.db2.gz FZRWUXWVGVGWJG-LICLKQGHSA-N 1 2 292.339 0.859 20 30 CCEDLO COc1cc(NC[C@@H]2C[N@H+](C)CCO2)ncc1C#N ZINC001155194088 800927968 /nfs/dbraw/zinc/92/79/68/800927968.db2.gz OAIURKBWTFYVTE-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC001155194088 800927972 /nfs/dbraw/zinc/92/79/72/800927972.db2.gz OAIURKBWTFYVTE-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO CCCNC(=O)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156327542 801150920 /nfs/dbraw/zinc/15/09/20/801150920.db2.gz DYSSVECHKPFSSS-LBPRGKRZSA-N 1 2 273.340 0.523 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccnc(N2CCCCC2)n1 ZINC001156327784 801150973 /nfs/dbraw/zinc/15/09/73/801150973.db2.gz LSGCFUYSMBXGAM-LBPRGKRZSA-N 1 2 272.356 0.769 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(OC)c2C#N)C[NH2+]1 ZINC001158253768 801604102 /nfs/dbraw/zinc/60/41/02/801604102.db2.gz AYOHPAYVQIPNHX-SCZZXKLOSA-N 1 2 276.296 0.277 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2C#N)C[NH2+]1 ZINC001158253796 801604249 /nfs/dbraw/zinc/60/42/49/801604249.db2.gz CKGWDWUGYJGXNS-MNOVXSKESA-N 1 2 271.280 0.140 20 30 CCEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCNCC#N)[nH]n1 ZINC001158505373 801660381 /nfs/dbraw/zinc/66/03/81/801660381.db2.gz CDLWGNPBUCLQPR-ZDUSSCGKSA-N 1 2 290.371 0.409 20 30 CCEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCNCC#N)[nH]n1 ZINC001158505373 801660384 /nfs/dbraw/zinc/66/03/84/801660384.db2.gz CDLWGNPBUCLQPR-ZDUSSCGKSA-N 1 2 290.371 0.409 20 30 CCEDLO C#CCCN1CCC[C@H](Nc2cc(N(C)C)nc[nH+]2)C1=O ZINC001160892552 802043949 /nfs/dbraw/zinc/04/39/49/802043949.db2.gz XNOWUXLZUGRMFM-LBPRGKRZSA-N 1 2 287.367 0.969 20 30 CCEDLO C#CCCN1CCC[C@H](Nc2cc(N(C)C)[nH+]cn2)C1=O ZINC001160892552 802043957 /nfs/dbraw/zinc/04/39/57/802043957.db2.gz XNOWUXLZUGRMFM-LBPRGKRZSA-N 1 2 287.367 0.969 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc2c(C#N)c[nH]c2n1 ZINC001161950590 802257230 /nfs/dbraw/zinc/25/72/30/802257230.db2.gz WSYNHMSSZNPXAZ-SECBINFHSA-N 1 2 274.284 0.132 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc(Cl)ncc1C#N ZINC001162850073 802429248 /nfs/dbraw/zinc/42/92/48/802429248.db2.gz TWOXJXJEPDFZNA-QMMMGPOBSA-N 1 2 297.746 0.504 20 30 CCEDLO C[C@H](CC(=O)N(C)C[C@H]1CCN1CC#N)n1cc[nH+]c1 ZINC001264372477 809645160 /nfs/dbraw/zinc/64/51/60/809645160.db2.gz GFZQJXVZNCKSGB-CHWSQXEVSA-N 1 2 275.356 0.890 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H]1C ZINC001264734044 809674725 /nfs/dbraw/zinc/67/47/25/809674725.db2.gz YVIVGRFDDOSUKU-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H]1C ZINC001264734044 809674727 /nfs/dbraw/zinc/67/47/27/809674727.db2.gz YVIVGRFDDOSUKU-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C#N)c(OC)n2)C[NH2+]1 ZINC001164302331 802714562 /nfs/dbraw/zinc/71/45/62/802714562.db2.gz RBFQVMDAMRXZTM-UWVGGRQHSA-N 1 2 276.296 0.277 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cncc(CC#N)c2)C[NH2+]1 ZINC001164308468 802717279 /nfs/dbraw/zinc/71/72/79/802717279.db2.gz LKVJZKIZYHXALW-RYUDHWBXSA-N 1 2 260.297 0.463 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nccc(Cl)n1 ZINC001164642294 802774173 /nfs/dbraw/zinc/77/41/73/802774173.db2.gz UGJPMAYCXMJYPO-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO Cc1nc2ccc(N3CC[NH2+]C[C@H]3C#N)nc2n1C ZINC001164651907 802775592 /nfs/dbraw/zinc/77/55/92/802775592.db2.gz MUIYETZXZSOFPV-SNVBAGLBSA-N 1 2 256.313 0.579 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC3)C2)nn1 ZINC001105246530 811872144 /nfs/dbraw/zinc/87/21/44/811872144.db2.gz AHIMRARZCLTRLL-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001268195494 812356179 /nfs/dbraw/zinc/35/61/79/812356179.db2.gz UEYSUQDINMWOAB-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001268195494 812356187 /nfs/dbraw/zinc/35/61/87/812356187.db2.gz UEYSUQDINMWOAB-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)cc1 ZINC001203904957 803051298 /nfs/dbraw/zinc/05/12/98/803051298.db2.gz LOJZNGKNJHNRBY-CQSZACIVSA-N 1 2 271.320 0.601 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)cc1 ZINC001203904957 803051305 /nfs/dbraw/zinc/05/13/05/803051305.db2.gz LOJZNGKNJHNRBY-CQSZACIVSA-N 1 2 271.320 0.601 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206489849 803253112 /nfs/dbraw/zinc/25/31/12/803253112.db2.gz BAOMVUADYVMLGP-VXGBXAGGSA-N 1 2 278.356 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206489849 803253117 /nfs/dbraw/zinc/25/31/17/803253117.db2.gz BAOMVUADYVMLGP-VXGBXAGGSA-N 1 2 278.356 0.029 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC1(C)CC1 ZINC001208027438 803481018 /nfs/dbraw/zinc/48/10/18/803481018.db2.gz BGJMTRMUDQRWNN-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC1(C)CC1 ZINC001208027438 803481023 /nfs/dbraw/zinc/48/10/23/803481023.db2.gz BGJMTRMUDQRWNN-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO O=C1C=C2C[N@@H+](CCN3CCOCC3)CCC2S1 ZINC001209289321 803587341 /nfs/dbraw/zinc/58/73/41/803587341.db2.gz ARAWBLRKOGMFID-GFCCVEGCSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@H+](CCN3CCOCC3)CCC2S1 ZINC001209289321 803587345 /nfs/dbraw/zinc/58/73/45/803587345.db2.gz ARAWBLRKOGMFID-GFCCVEGCSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@@H+](CCN3CCOCC3)CC[C@H]2S1 ZINC001209289321 803587348 /nfs/dbraw/zinc/58/73/48/803587348.db2.gz ARAWBLRKOGMFID-GFCCVEGCSA-N 1 2 268.382 0.593 20 30 CCEDLO O=C1C=C2C[N@H+](CCN3CCOCC3)CC[C@H]2S1 ZINC001209289321 803587352 /nfs/dbraw/zinc/58/73/52/803587352.db2.gz ARAWBLRKOGMFID-GFCCVEGCSA-N 1 2 268.382 0.593 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(F)ccc(N)c1F ZINC001210121316 803639106 /nfs/dbraw/zinc/63/91/06/803639106.db2.gz KITOMHGVYNBEPJ-QMMMGPOBSA-N 1 2 252.268 0.844 20 30 CCEDLO CCOC(=O)C[C@@H](CC#N)OCC[NH+]1CCOCC1 ZINC001210208904 803641632 /nfs/dbraw/zinc/64/16/32/803641632.db2.gz WKBNOIHGKYBATP-GFCCVEGCSA-N 1 2 270.329 0.571 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213317494 803690572 /nfs/dbraw/zinc/69/05/72/803690572.db2.gz MDRDARCWLNKLEZ-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213317494 803690575 /nfs/dbraw/zinc/69/05/75/803690575.db2.gz MDRDARCWLNKLEZ-JHJVBQTASA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](OC)C1 ZINC001213466785 803695299 /nfs/dbraw/zinc/69/52/99/803695299.db2.gz VYMCIEUKZAORRO-CHWSQXEVSA-N 1 2 293.371 0.129 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](OC)C1 ZINC001213466785 803695304 /nfs/dbraw/zinc/69/53/04/803695304.db2.gz VYMCIEUKZAORRO-CHWSQXEVSA-N 1 2 293.371 0.129 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(C)C)[C@H]2C1 ZINC001217261595 803881387 /nfs/dbraw/zinc/88/13/87/803881387.db2.gz YXHAAAZCNZWUOL-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(C)C)[C@H]2C1 ZINC001217261595 803881394 /nfs/dbraw/zinc/88/13/94/803881394.db2.gz YXHAAAZCNZWUOL-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001219114724 804206365 /nfs/dbraw/zinc/20/63/65/804206365.db2.gz YXLJTVVRNMHUSH-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001219114724 804206372 /nfs/dbraw/zinc/20/63/72/804206372.db2.gz YXLJTVVRNMHUSH-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001219379796 804292944 /nfs/dbraw/zinc/29/29/44/804292944.db2.gz ZFWMAICUQJYCDF-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001219379796 804292952 /nfs/dbraw/zinc/29/29/52/804292952.db2.gz ZFWMAICUQJYCDF-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001276810725 804503429 /nfs/dbraw/zinc/50/34/29/804503429.db2.gz RBQJTXWOJYLRNN-AWEZNQCLSA-N 1 2 275.352 0.975 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001276810725 804503435 /nfs/dbraw/zinc/50/34/35/804503435.db2.gz RBQJTXWOJYLRNN-AWEZNQCLSA-N 1 2 275.352 0.975 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](O)C1 ZINC001220180435 804528611 /nfs/dbraw/zinc/52/86/11/804528611.db2.gz DSADUMQGPFPJNT-WOPDTQHZSA-N 1 2 256.321 0.165 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](O)C1 ZINC001220180435 804528604 /nfs/dbraw/zinc/52/86/04/804528604.db2.gz DSADUMQGPFPJNT-WOPDTQHZSA-N 1 2 256.321 0.165 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001220239571 804544012 /nfs/dbraw/zinc/54/40/12/804544012.db2.gz KNTUXGVTSJMUQN-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001220239571 804544014 /nfs/dbraw/zinc/54/40/14/804544014.db2.gz KNTUXGVTSJMUQN-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001220239571 804544017 /nfs/dbraw/zinc/54/40/17/804544017.db2.gz KNTUXGVTSJMUQN-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccco2)[C@@H](O)C1 ZINC001220532681 804622999 /nfs/dbraw/zinc/62/29/99/804622999.db2.gz TZQWKSHSVPAMAU-BNOWGMLFSA-N 1 2 276.336 0.253 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2ccco2)[C@@H](O)C1 ZINC001220532681 804623003 /nfs/dbraw/zinc/62/30/03/804623003.db2.gz TZQWKSHSVPAMAU-BNOWGMLFSA-N 1 2 276.336 0.253 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001220597097 804634481 /nfs/dbraw/zinc/63/44/81/804634481.db2.gz UWMZWCBUYRBWGU-QWHCGFSZSA-N 1 2 287.319 0.552 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220596270 804634700 /nfs/dbraw/zinc/63/47/00/804634700.db2.gz QHGYBLZIIPEOTH-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220596270 804634708 /nfs/dbraw/zinc/63/47/08/804634708.db2.gz QHGYBLZIIPEOTH-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001220813709 804672256 /nfs/dbraw/zinc/67/22/56/804672256.db2.gz HLLJDXYNBYHHSR-BDAKNGLRSA-N 1 2 278.274 0.369 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001220813709 804672260 /nfs/dbraw/zinc/67/22/60/804672260.db2.gz HLLJDXYNBYHHSR-BDAKNGLRSA-N 1 2 278.274 0.369 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)CC)[C@@H]2C1 ZINC001221444766 804818234 /nfs/dbraw/zinc/81/82/34/804818234.db2.gz MQARRMSTGXBWQL-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)CC)[C@@H]2C1 ZINC001221444766 804818238 /nfs/dbraw/zinc/81/82/38/804818238.db2.gz MQARRMSTGXBWQL-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 ZINC001222108444 804870141 /nfs/dbraw/zinc/87/01/41/804870141.db2.gz ONDXONJUNATXKE-VXGBXAGGSA-N 1 2 299.802 0.927 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 ZINC001222108444 804870149 /nfs/dbraw/zinc/87/01/49/804870149.db2.gz ONDXONJUNATXKE-VXGBXAGGSA-N 1 2 299.802 0.927 20 30 CCEDLO C=CCOCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001222619785 804922474 /nfs/dbraw/zinc/92/24/74/804922474.db2.gz WOZCLLMPSUPMPF-UHFFFAOYSA-N 1 2 294.355 0.600 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001276842217 804934398 /nfs/dbraw/zinc/93/43/98/804934398.db2.gz LKUKCAODZDIKFA-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001276842217 804934401 /nfs/dbraw/zinc/93/44/01/804934401.db2.gz LKUKCAODZDIKFA-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO O=C(C#CC1CC1)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001223130440 804956468 /nfs/dbraw/zinc/95/64/68/804956468.db2.gz MPDFHRUQQQIARS-UHFFFAOYSA-N 1 2 288.351 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001276883295 804966942 /nfs/dbraw/zinc/96/69/42/804966942.db2.gz HAMLMXUTRPNAHX-LBPRGKRZSA-N 1 2 288.351 0.247 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001276883295 804966945 /nfs/dbraw/zinc/96/69/45/804966945.db2.gz HAMLMXUTRPNAHX-LBPRGKRZSA-N 1 2 288.351 0.247 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1ccncc1 ZINC001276949286 805011878 /nfs/dbraw/zinc/01/18/78/805011878.db2.gz LOUHWWFYCFWPJE-HNNXBMFYSA-N 1 2 287.363 0.812 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCc1ccncc1 ZINC001276949286 805011884 /nfs/dbraw/zinc/01/18/84/805011884.db2.gz LOUHWWFYCFWPJE-HNNXBMFYSA-N 1 2 287.363 0.812 20 30 CCEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576113 815063901 /nfs/dbraw/zinc/06/39/01/815063901.db2.gz MTBIALWQONONBB-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO CCO[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001278342243 806992399 /nfs/dbraw/zinc/99/23/99/806992399.db2.gz TVQYABKMDLLRAA-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](NC2=CC(=O)CC(C)(C)C2)C[NH2+]1 ZINC001246270866 807203794 /nfs/dbraw/zinc/20/37/94/807203794.db2.gz VQXWOWPBYBXHNE-JQWIXIFHSA-N 1 2 266.341 0.753 20 30 CCEDLO Cc1nc(C#N)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006321 807637347 /nfs/dbraw/zinc/63/73/47/807637347.db2.gz KOCRKECETDKKAY-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO N#Cc1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1F ZINC001251027827 807648404 /nfs/dbraw/zinc/64/84/04/807648404.db2.gz TWRFGQDMNDEHPE-LBPRGKRZSA-N 1 2 279.315 0.802 20 30 CCEDLO CCC[C@@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251042299 807653218 /nfs/dbraw/zinc/65/32/18/807653218.db2.gz VYRBWCYKAYNQRG-OLZOCXBDSA-N 1 2 255.362 0.351 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001251854341 807721464 /nfs/dbraw/zinc/72/14/64/807721464.db2.gz BKDVDDJNPFNKBI-NWDGAFQWSA-N 1 2 271.357 0.659 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001251854341 807721467 /nfs/dbraw/zinc/72/14/67/807721467.db2.gz BKDVDDJNPFNKBI-NWDGAFQWSA-N 1 2 271.357 0.659 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001251891689 807737755 /nfs/dbraw/zinc/73/77/55/807737755.db2.gz XMJKOLZDYBTSRZ-ZIAGYGMSSA-N 1 2 283.368 0.709 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001038488720 815149637 /nfs/dbraw/zinc/14/96/37/815149637.db2.gz QTXRTKLOTLPXQG-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001038488720 815149639 /nfs/dbraw/zinc/14/96/39/815149639.db2.gz QTXRTKLOTLPXQG-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083485276 815154287 /nfs/dbraw/zinc/15/42/87/815154287.db2.gz SUEBAENFOUYLEF-ZNMIVQPWSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083485276 815154289 /nfs/dbraw/zinc/15/42/89/815154289.db2.gz SUEBAENFOUYLEF-ZNMIVQPWSA-N 1 2 276.380 0.917 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC001252460477 807873556 /nfs/dbraw/zinc/87/35/56/807873556.db2.gz FFNAXAIRZGMIQY-LBPRGKRZSA-N 1 2 276.340 0.725 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC001252460477 807873563 /nfs/dbraw/zinc/87/35/63/807873563.db2.gz FFNAXAIRZGMIQY-LBPRGKRZSA-N 1 2 276.340 0.725 20 30 CCEDLO C=C[C@](C)(O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252586181 807915701 /nfs/dbraw/zinc/91/57/01/807915701.db2.gz YGZGXEMSOHFBKP-JSGCOSHPSA-N 1 2 281.356 0.421 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@@H](O)C1 ZINC001083498605 815168552 /nfs/dbraw/zinc/16/85/52/815168552.db2.gz JVFISNPNPKGYIG-SCRDCRAPSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@@H](O)C1 ZINC001083498605 815168555 /nfs/dbraw/zinc/16/85/55/815168555.db2.gz JVFISNPNPKGYIG-SCRDCRAPSA-N 1 2 290.367 0.262 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001253580539 808088820 /nfs/dbraw/zinc/08/88/20/808088820.db2.gz CRXIXQHJQOWQPR-JTQLQIEISA-N 1 2 279.340 0.718 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001253580539 808088833 /nfs/dbraw/zinc/08/88/33/808088833.db2.gz CRXIXQHJQOWQPR-JTQLQIEISA-N 1 2 279.340 0.718 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001253584277 808090696 /nfs/dbraw/zinc/09/06/96/808090696.db2.gz LGGMTKZOTRNUHP-AWEZNQCLSA-N 1 2 260.337 0.878 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001253584277 808090701 /nfs/dbraw/zinc/09/07/01/808090701.db2.gz LGGMTKZOTRNUHP-AWEZNQCLSA-N 1 2 260.337 0.878 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592649 808263993 /nfs/dbraw/zinc/26/39/93/808263993.db2.gz DWXGSYYNXIRYOS-KGLIPLIRSA-N 1 2 272.308 0.859 20 30 CCEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001255163281 808323731 /nfs/dbraw/zinc/32/37/31/808323731.db2.gz FMKZOPMHVRTKET-DCAQKATOSA-N 1 2 268.361 0.283 20 30 CCEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255597916 808412606 /nfs/dbraw/zinc/41/26/06/808412606.db2.gz LBVGNJVKUSODBV-RYUDHWBXSA-N 1 2 280.372 0.793 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC(C)(C)COC)C1 ZINC001278892121 808432771 /nfs/dbraw/zinc/43/27/71/808432771.db2.gz YZUFIBVZTLXBIL-UHFFFAOYSA-N 1 2 282.384 0.235 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126903945 815209632 /nfs/dbraw/zinc/20/96/32/815209632.db2.gz QJNKWXZTNBCOOB-UHFFFAOYSA-N 1 2 274.324 0.566 20 30 CCEDLO CCOC(=O)N1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001256241196 808483848 /nfs/dbraw/zinc/48/38/48/808483848.db2.gz RHDMVSRQEWAELX-GFCCVEGCSA-N 1 2 266.345 0.405 20 30 CCEDLO C=CCCC(=O)N[C@@H](C[NH2+]Cc1nnn(C)n1)C(C)(C)C ZINC001278946242 808533077 /nfs/dbraw/zinc/53/30/77/808533077.db2.gz WOVQCUCTPXJELB-NSHDSACASA-N 1 2 294.403 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](O)C1 ZINC001083529083 815217087 /nfs/dbraw/zinc/21/70/87/815217087.db2.gz ZAPCNUJTDIBQBN-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](O)C1 ZINC001083529083 815217093 /nfs/dbraw/zinc/21/70/93/815217093.db2.gz ZAPCNUJTDIBQBN-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C=CCC1(O)CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001262078074 809185433 /nfs/dbraw/zinc/18/54/33/809185433.db2.gz XWUDQVWGRCFKEX-UHFFFAOYSA-N 1 2 252.318 0.011 20 30 CCEDLO C=C[C@@H](COC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001262337261 809279819 /nfs/dbraw/zinc/27/98/19/809279819.db2.gz JBHLOHCAAQIQRC-MJBXVCDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001263813067 809575663 /nfs/dbraw/zinc/57/56/63/809575663.db2.gz ZTTCGWMPRKOIJF-QWHCGFSZSA-N 1 2 291.395 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001263813067 809575665 /nfs/dbraw/zinc/57/56/65/809575665.db2.gz ZTTCGWMPRKOIJF-QWHCGFSZSA-N 1 2 291.395 0.621 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076462456 815300840 /nfs/dbraw/zinc/30/08/40/815300840.db2.gz VZQNBOUZBPCDNT-WCQYABFASA-N 1 2 273.340 0.019 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCN1CCOCC1 ZINC001264374290 809646040 /nfs/dbraw/zinc/64/60/40/809646040.db2.gz DFXQRRCRLHCPNN-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCN1CCOCC1 ZINC001264374290 809646044 /nfs/dbraw/zinc/64/60/44/809646044.db2.gz DFXQRRCRLHCPNN-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265210670 809724880 /nfs/dbraw/zinc/72/48/80/809724880.db2.gz MAQINILCUZSERA-QWHCGFSZSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265210670 809724882 /nfs/dbraw/zinc/72/48/82/809724882.db2.gz MAQINILCUZSERA-QWHCGFSZSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001265207835 809725051 /nfs/dbraw/zinc/72/50/51/809725051.db2.gz MBTKMXWSPBBXAP-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001265207835 809725052 /nfs/dbraw/zinc/72/50/52/809725052.db2.gz MBTKMXWSPBBXAP-CYBMUJFWSA-N 1 2 292.383 0.703 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001265257867 809732963 /nfs/dbraw/zinc/73/29/63/809732963.db2.gz QVAPNVKSNQKCDZ-CQSZACIVSA-N 1 2 277.412 0.790 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265260113 809734845 /nfs/dbraw/zinc/73/48/45/809734845.db2.gz WWSINVQFHUTRDM-UHFFFAOYSA-N 1 2 278.400 0.846 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H]2CCCOC2)CC1 ZINC001265266665 809735663 /nfs/dbraw/zinc/73/56/63/809735663.db2.gz WRNNVLODVWXTAL-OAHLLOKOSA-N 1 2 293.411 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001265294407 809748817 /nfs/dbraw/zinc/74/88/17/809748817.db2.gz BBAZWIBESNWMPY-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001265294407 809748819 /nfs/dbraw/zinc/74/88/19/809748819.db2.gz BBAZWIBESNWMPY-GFCCVEGCSA-N 1 2 297.399 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC001265814997 809861878 /nfs/dbraw/zinc/86/18/78/809861878.db2.gz LOOGWFXBRUALFW-SNVBAGLBSA-N 1 2 294.359 0.233 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC001265814997 809861880 /nfs/dbraw/zinc/86/18/80/809861880.db2.gz LOOGWFXBRUALFW-SNVBAGLBSA-N 1 2 294.359 0.233 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001265896039 809888409 /nfs/dbraw/zinc/88/84/09/809888409.db2.gz ZDZGBXZVXWSFGC-NSHDSACASA-N 1 2 294.355 0.525 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001265901590 809889695 /nfs/dbraw/zinc/88/96/95/809889695.db2.gz ZOTZSIYOOYFFKP-GFCCVEGCSA-N 1 2 276.340 0.872 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076652094 815329807 /nfs/dbraw/zinc/32/98/07/815329807.db2.gz BXVGNHIDVOPKEN-VXGBXAGGSA-N 1 2 279.365 0.691 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076652094 815329814 /nfs/dbraw/zinc/32/98/14/815329814.db2.gz BXVGNHIDVOPKEN-VXGBXAGGSA-N 1 2 279.365 0.691 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)COC)C1 ZINC001266210038 809964035 /nfs/dbraw/zinc/96/40/35/809964035.db2.gz USISDFHLSOQYPD-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)COC)C1 ZINC001266210038 809964042 /nfs/dbraw/zinc/96/40/42/809964042.db2.gz USISDFHLSOQYPD-OLZOCXBDSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001280415776 810017914 /nfs/dbraw/zinc/01/79/14/810017914.db2.gz NVWSDTSNSGHZNJ-JSGCOSHPSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001280415776 810017919 /nfs/dbraw/zinc/01/79/19/810017919.db2.gz NVWSDTSNSGHZNJ-JSGCOSHPSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC001267264520 811067309 /nfs/dbraw/zinc/06/73/09/811067309.db2.gz SQUBKCMECJFDFA-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC001267264520 811067320 /nfs/dbraw/zinc/06/73/20/811067320.db2.gz SQUBKCMECJFDFA-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001267397143 811283936 /nfs/dbraw/zinc/28/39/36/811283936.db2.gz MZBRPXUCELOIJT-GASCZTMLSA-N 1 2 292.379 0.514 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001267397143 811283944 /nfs/dbraw/zinc/28/39/44/811283944.db2.gz MZBRPXUCELOIJT-GASCZTMLSA-N 1 2 292.379 0.514 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001058562812 811322078 /nfs/dbraw/zinc/32/20/78/811322078.db2.gz SRPUSZRSECYROT-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001038300765 811344488 /nfs/dbraw/zinc/34/44/88/811344488.db2.gz OKKUMNRKQTWEPO-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001038300765 811344495 /nfs/dbraw/zinc/34/44/95/811344495.db2.gz OKKUMNRKQTWEPO-GFCCVEGCSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001077103244 815445159 /nfs/dbraw/zinc/44/51/59/815445159.db2.gz GSISMAWLCQEGJV-HBNTYKKESA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001077103244 815445163 /nfs/dbraw/zinc/44/51/63/815445163.db2.gz GSISMAWLCQEGJV-HBNTYKKESA-N 1 2 272.295 0.216 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125814288 811444595 /nfs/dbraw/zinc/44/45/95/811444595.db2.gz SEEKIDKEYDXXBT-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038319611 811453867 /nfs/dbraw/zinc/45/38/67/811453867.db2.gz SZUKSFLIFGTSFV-LBPRGKRZSA-N 1 2 288.351 0.621 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038319611 811453873 /nfs/dbraw/zinc/45/38/73/811453873.db2.gz SZUKSFLIFGTSFV-LBPRGKRZSA-N 1 2 288.351 0.621 20 30 CCEDLO N#CCN1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001267571201 811460387 /nfs/dbraw/zinc/46/03/87/811460387.db2.gz JODHPOJUVNEYRW-GFCCVEGCSA-N 1 2 261.329 0.235 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC23CC3)[C@@H](O)C1 ZINC001083566742 815454994 /nfs/dbraw/zinc/45/49/94/815454994.db2.gz ZHWBPPGQFKYXDU-UPJWGTAASA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC23CC3)[C@@H](O)C1 ZINC001083566742 815454996 /nfs/dbraw/zinc/45/49/96/815454996.db2.gz ZHWBPPGQFKYXDU-UPJWGTAASA-N 1 2 262.353 0.361 20 30 CCEDLO Cc1ccoc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267605417 811538745 /nfs/dbraw/zinc/53/87/45/811538745.db2.gz UCMPDVAKUNQRRW-UHFFFAOYSA-N 1 2 290.367 0.801 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001077174733 815456625 /nfs/dbraw/zinc/45/66/25/815456625.db2.gz SEOCHRDSOGRCBR-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001077174733 815456629 /nfs/dbraw/zinc/45/66/29/815456629.db2.gz SEOCHRDSOGRCBR-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077182257 815456918 /nfs/dbraw/zinc/45/69/18/815456918.db2.gz HVTYHNDRKWJLHF-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCCc2nc(C)no2)C1 ZINC001267669303 811632939 /nfs/dbraw/zinc/63/29/39/811632939.db2.gz GDVUOSIFAACCLL-UHFFFAOYSA-N 1 2 264.329 0.687 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001267693484 811659302 /nfs/dbraw/zinc/65/93/02/811659302.db2.gz HKQZXCLSZAUBOM-UHFFFAOYSA-N 1 2 288.413 0.434 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001267717581 811680674 /nfs/dbraw/zinc/68/06/74/811680674.db2.gz AAAZFKCIYDAOQT-KGLIPLIRSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001267717581 811680678 /nfs/dbraw/zinc/68/06/78/811680678.db2.gz AAAZFKCIYDAOQT-KGLIPLIRSA-N 1 2 289.379 0.283 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001077211596 815462898 /nfs/dbraw/zinc/46/28/98/815462898.db2.gz AVWBZWBRCCPANL-HUUCEWRRSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001077211596 815462901 /nfs/dbraw/zinc/46/29/01/815462901.db2.gz AVWBZWBRCCPANL-HUUCEWRRSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001077266006 815471169 /nfs/dbraw/zinc/47/11/69/815471169.db2.gz RTDBXIISGYAPTK-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001077266006 815471173 /nfs/dbraw/zinc/47/11/73/815471173.db2.gz RTDBXIISGYAPTK-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cocc3C)C2)nn1 ZINC001105301412 811898935 /nfs/dbraw/zinc/89/89/35/811898935.db2.gz OVOBAESGDIRORO-UHFFFAOYSA-N 1 2 299.334 0.599 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001077380545 815489479 /nfs/dbraw/zinc/48/94/79/815489479.db2.gz WLRLCOHGCAUCNU-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001077380545 815489481 /nfs/dbraw/zinc/48/94/81/815489481.db2.gz WLRLCOHGCAUCNU-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001038151803 812160077 /nfs/dbraw/zinc/16/00/77/812160077.db2.gz JPZNBTNPZCHCKR-CYBMUJFWSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001038151803 812160082 /nfs/dbraw/zinc/16/00/82/812160082.db2.gz JPZNBTNPZCHCKR-CYBMUJFWSA-N 1 2 298.350 0.624 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001126361243 812634314 /nfs/dbraw/zinc/63/43/14/812634314.db2.gz YEVHKDKPIQKQHF-AWEZNQCLSA-N 1 2 281.356 0.824 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccco2)C1 ZINC001268495574 812704637 /nfs/dbraw/zinc/70/46/37/812704637.db2.gz VMBNMMXZDAZFDY-NSHDSACASA-N 1 2 289.335 0.079 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001126383158 812841901 /nfs/dbraw/zinc/84/19/01/812841901.db2.gz FTJXHVPBXADCJS-TVQRCGJNSA-N 1 2 282.344 0.472 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001083333979 812883644 /nfs/dbraw/zinc/88/36/44/812883644.db2.gz VHQZRXQOFVUNNU-ZJUUUORDSA-N 1 2 282.369 0.198 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001083333979 812883654 /nfs/dbraw/zinc/88/36/54/812883654.db2.gz VHQZRXQOFVUNNU-ZJUUUORDSA-N 1 2 282.369 0.198 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001083358099 812905513 /nfs/dbraw/zinc/90/55/13/812905513.db2.gz VBFBXXPOOUJSRQ-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001083358099 812905518 /nfs/dbraw/zinc/90/55/18/812905518.db2.gz VBFBXXPOOUJSRQ-ZJUUUORDSA-N 1 2 267.354 0.494 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001083382859 812924930 /nfs/dbraw/zinc/92/49/30/812924930.db2.gz BPRHBLCZAWKBQD-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](O)C1 ZINC001083382859 812924932 /nfs/dbraw/zinc/92/49/32/812924932.db2.gz BPRHBLCZAWKBQD-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605322 812967307 /nfs/dbraw/zinc/96/73/07/812967307.db2.gz RGVSSHPZYLYUEY-QJPTWQEYSA-N 1 2 273.340 0.475 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605322 812967311 /nfs/dbraw/zinc/96/73/11/812967311.db2.gz RGVSSHPZYLYUEY-QJPTWQEYSA-N 1 2 273.340 0.475 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cc(C)cc2F)[C@@H](O)C1 ZINC001083627150 815567324 /nfs/dbraw/zinc/56/73/24/815567324.db2.gz ILTAQEDIWVJAHK-OLZOCXBDSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cc(C)cc2F)[C@@H](O)C1 ZINC001083627150 815567329 /nfs/dbraw/zinc/56/73/29/815567329.db2.gz ILTAQEDIWVJAHK-OLZOCXBDSA-N 1 2 294.301 0.681 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001268739371 813052454 /nfs/dbraw/zinc/05/24/54/813052454.db2.gz ABLKUFHPGMZGOM-NSHDSACASA-N 1 2 279.388 0.964 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001268739371 813052457 /nfs/dbraw/zinc/05/24/57/813052457.db2.gz ABLKUFHPGMZGOM-NSHDSACASA-N 1 2 279.388 0.964 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](O)C1 ZINC001083637684 815580737 /nfs/dbraw/zinc/58/07/37/815580737.db2.gz HZINPISVAJVDNJ-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](O)C1 ZINC001083637684 815580742 /nfs/dbraw/zinc/58/07/42/815580742.db2.gz HZINPISVAJVDNJ-KGLIPLIRSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)C)C1 ZINC001268900727 813139091 /nfs/dbraw/zinc/13/90/91/813139091.db2.gz MPDFLMWTGVLPNQ-LLVKDONJSA-N 1 2 279.384 0.218 20 30 CCEDLO CCC#CC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001268951342 813155814 /nfs/dbraw/zinc/15/58/14/813155814.db2.gz MOWBHZFOAVCFQS-UHFFFAOYSA-N 1 2 285.347 0.845 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001269206644 813266370 /nfs/dbraw/zinc/26/63/70/813266370.db2.gz ZYKWGVKYJXDYPU-WDEREUQCSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001269206644 813266377 /nfs/dbraw/zinc/26/63/77/813266377.db2.gz ZYKWGVKYJXDYPU-WDEREUQCSA-N 1 2 251.330 0.032 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001269278956 813303725 /nfs/dbraw/zinc/30/37/25/813303725.db2.gz SHPCKQCXOLWDPN-ZDUSSCGKSA-N 1 2 273.336 0.456 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001269278956 813303729 /nfs/dbraw/zinc/30/37/29/813303729.db2.gz SHPCKQCXOLWDPN-ZDUSSCGKSA-N 1 2 273.336 0.456 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417640 813703543 /nfs/dbraw/zinc/70/35/43/813703543.db2.gz SGVNTGCJJIGPDZ-NSHDSACASA-N 1 2 269.308 0.891 20 30 CCEDLO COC[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001270521068 813795651 /nfs/dbraw/zinc/79/56/51/813795651.db2.gz VNWCTNQDESDHEI-KGLIPLIRSA-N 1 2 294.399 0.011 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC001270620534 813842372 /nfs/dbraw/zinc/84/23/72/813842372.db2.gz NXIOIIHGRCPRMO-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC001270620534 813842378 /nfs/dbraw/zinc/84/23/78/813842378.db2.gz NXIOIIHGRCPRMO-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO N#CCNC[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536262 814001989 /nfs/dbraw/zinc/00/19/89/814001989.db2.gz ZWASZBHCEWEWMB-WFASDCNBSA-N 1 2 287.367 0.694 20 30 CCEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059284064 814065384 /nfs/dbraw/zinc/06/53/84/814065384.db2.gz USYQHDMJZZFIKC-HAQNSBGRSA-N 1 2 296.334 0.400 20 30 CCEDLO C=CCCC(=O)NCC1(O)C[NH+](C[C@H]2CCCCO2)C1 ZINC001271253277 814352397 /nfs/dbraw/zinc/35/23/97/814352397.db2.gz AZYSXQRAEGGENB-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N)c1c[nH+]c[nH]1 ZINC001029553934 814420853 /nfs/dbraw/zinc/42/08/53/814420853.db2.gz FZNDMMKWTJMJJV-TXEJJXNPSA-N 1 2 287.367 0.886 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001127051310 815606148 /nfs/dbraw/zinc/60/61/48/815606148.db2.gz FQXYZMGDRGRQPN-WDEREUQCSA-N 1 2 294.355 0.437 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001271840467 814605186 /nfs/dbraw/zinc/60/51/86/814605186.db2.gz YTYRFSDIXIGDOE-GFCCVEGCSA-N 1 2 292.387 0.100 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001271977257 814660686 /nfs/dbraw/zinc/66/06/86/814660686.db2.gz LFNKBLKUULUDBO-UHFFFAOYSA-N 1 2 280.372 0.513 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001271977257 814660689 /nfs/dbraw/zinc/66/06/89/814660689.db2.gz LFNKBLKUULUDBO-UHFFFAOYSA-N 1 2 280.372 0.513 20 30 CCEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCn2cccn2)C1 ZINC001042630762 814849768 /nfs/dbraw/zinc/84/97/68/814849768.db2.gz NPRFNWVVSGBQTB-UHFFFAOYSA-N 1 2 298.350 0.539 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cccc(C)c2=O)C1 ZINC001030303919 815967600 /nfs/dbraw/zinc/96/76/00/815967600.db2.gz HSYNSYZBSSOZBI-UHFFFAOYSA-N 1 2 275.352 0.533 20 30 CCEDLO N#CCN1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030349275 815988082 /nfs/dbraw/zinc/98/80/82/815988082.db2.gz GMWILHLJDZIJEH-UHFFFAOYSA-N 1 2 273.340 0.086 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001030411177 816021843 /nfs/dbraw/zinc/02/18/43/816021843.db2.gz GJBWCONZKCTQSI-UHFFFAOYSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001077466866 816028895 /nfs/dbraw/zinc/02/88/95/816028895.db2.gz OPDYMUFWYGKLFZ-HZPDHXFCSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001077466866 816028900 /nfs/dbraw/zinc/02/89/00/816028900.db2.gz OPDYMUFWYGKLFZ-HZPDHXFCSA-N 1 2 297.358 0.884 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001030432671 816037109 /nfs/dbraw/zinc/03/71/09/816037109.db2.gz NIJDCJMRWPSKKZ-UHFFFAOYSA-N 1 2 275.356 0.532 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3ccncc23)C1 ZINC001030449298 816043019 /nfs/dbraw/zinc/04/30/19/816043019.db2.gz WAPWYKQYUYLEJJ-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(COC)c2)C1 ZINC001030462190 816049088 /nfs/dbraw/zinc/04/90/88/816049088.db2.gz KVIJEUJANLSEJQ-UHFFFAOYSA-N 1 2 273.336 0.665 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001030489558 816060426 /nfs/dbraw/zinc/06/04/26/816060426.db2.gz QWKUKOOXWNYZES-LLVKDONJSA-N 1 2 251.330 0.032 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001030553104 816104095 /nfs/dbraw/zinc/10/40/95/816104095.db2.gz RTLSLDWEWIUWND-LBPRGKRZSA-N 1 2 274.368 0.822 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001030680311 816208977 /nfs/dbraw/zinc/20/89/77/816208977.db2.gz HLRWYBFNVSZLGA-UHFFFAOYSA-N 1 2 278.308 0.639 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001089022579 816214261 /nfs/dbraw/zinc/21/42/61/816214261.db2.gz CMLFZNIFWGKNAG-MNOVXSKESA-N 1 2 283.763 0.610 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001089022579 816214265 /nfs/dbraw/zinc/21/42/65/816214265.db2.gz CMLFZNIFWGKNAG-MNOVXSKESA-N 1 2 283.763 0.610 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001030737935 816257856 /nfs/dbraw/zinc/25/78/56/816257856.db2.gz OYNKEWUIBDBMAJ-HNNXBMFYSA-N 1 2 295.427 0.864 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2-n2cccn2)C1 ZINC001030772762 816280118 /nfs/dbraw/zinc/28/01/18/816280118.db2.gz YIUUEPPXZIYRLS-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCO)C2)cc1 ZINC001030775490 816282644 /nfs/dbraw/zinc/28/26/44/816282644.db2.gz NVNYYAQICMYRDS-UHFFFAOYSA-N 1 2 258.321 0.464 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)[C@@H](O)C1 ZINC001083736587 816883158 /nfs/dbraw/zinc/88/31/58/816883158.db2.gz KGIKAAOOYMWOIW-KGLIPLIRSA-N 1 2 294.301 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)[C@@H](O)C1 ZINC001083736587 816883165 /nfs/dbraw/zinc/88/31/65/816883165.db2.gz KGIKAAOOYMWOIW-KGLIPLIRSA-N 1 2 294.301 0.302 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001031253172 816899689 /nfs/dbraw/zinc/89/96/89/816899689.db2.gz WJGXYYXUSQCZFU-NSHDSACASA-N 1 2 272.352 0.338 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@@H](O)C1 ZINC001083740004 816907425 /nfs/dbraw/zinc/90/74/25/816907425.db2.gz IZOQNAHZKVSAEQ-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C)[C@@H](O)C1 ZINC001083740004 816907429 /nfs/dbraw/zinc/90/74/29/816907429.db2.gz IZOQNAHZKVSAEQ-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001031271810 816919322 /nfs/dbraw/zinc/91/93/22/816919322.db2.gz YELZAPASRADKMZ-UHFFFAOYSA-N 1 2 299.374 0.826 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001031375433 817011492 /nfs/dbraw/zinc/01/14/92/817011492.db2.gz ZDRCSOCLOIYSJM-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001031428341 817050553 /nfs/dbraw/zinc/05/05/53/817050553.db2.gz JOQGBKNOTVWWRR-CQSZACIVSA-N 1 2 291.395 0.601 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001031506819 817087574 /nfs/dbraw/zinc/08/75/74/817087574.db2.gz IETSZRGERCCVEF-NSHDSACASA-N 1 2 262.357 0.900 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212241758 817179889 /nfs/dbraw/zinc/17/98/89/817179889.db2.gz YFSZNEHVXRBMGW-HUUCEWRRSA-N 1 2 292.379 0.111 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212241758 817179893 /nfs/dbraw/zinc/17/98/93/817179893.db2.gz YFSZNEHVXRBMGW-HUUCEWRRSA-N 1 2 292.379 0.111 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031804466 817377726 /nfs/dbraw/zinc/37/77/26/817377726.db2.gz YTRINUYRACLGQI-LLVKDONJSA-N 1 2 285.775 0.313 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001077572325 817451207 /nfs/dbraw/zinc/45/12/07/817451207.db2.gz PHDQHNUCYCXYPQ-RYUDHWBXSA-N 1 2 291.355 0.444 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001124483023 817486485 /nfs/dbraw/zinc/48/64/85/817486485.db2.gz JONKKQQLZYVFIH-NSHDSACASA-N 1 2 282.344 0.565 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)c2nnc3ccccc3c2O)C1 ZINC001032018065 817552292 /nfs/dbraw/zinc/55/22/92/817552292.db2.gz NYYYSBYVXXFJEQ-UHFFFAOYSA-N 1 2 296.330 0.630 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124765061 817568134 /nfs/dbraw/zinc/56/81/34/817568134.db2.gz JKSHRMAPTMHZOE-UHFFFAOYSA-N 1 2 280.328 0.355 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107146699 817794539 /nfs/dbraw/zinc/79/45/39/817794539.db2.gz OHXKMEPVXJXBKG-NSHDSACASA-N 1 2 288.355 0.487 20 30 CCEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCC#C)C2)nn1 ZINC001107164717 817798540 /nfs/dbraw/zinc/79/85/40/817798540.db2.gz GHIWTADWKRENEZ-UHFFFAOYSA-N 1 2 299.378 0.578 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169397 817799432 /nfs/dbraw/zinc/79/94/32/817799432.db2.gz GEMWFKRHAFWTGM-UHFFFAOYSA-N 1 2 299.378 0.434 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3C[C@H]3C)nn2)C1 ZINC001107206349 817807010 /nfs/dbraw/zinc/80/70/10/817807010.db2.gz KNDDBTXAWVINRA-NEPJUHHUSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3C[C@H]3C)nn2)C1 ZINC001107206352 817808303 /nfs/dbraw/zinc/80/83/03/817808303.db2.gz KNDDBTXAWVINRA-VXGBXAGGSA-N 1 2 289.383 0.983 20 30 CCEDLO N#Cc1cnc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001107312225 817832532 /nfs/dbraw/zinc/83/25/32/817832532.db2.gz LXQZOMOHRKBVDG-OWOJBTEDSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001077621695 817881196 /nfs/dbraw/zinc/88/11/96/817881196.db2.gz WIOJUHLEACLRFN-ZIAGYGMSSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001077621695 817881210 /nfs/dbraw/zinc/88/12/10/817881210.db2.gz WIOJUHLEACLRFN-ZIAGYGMSSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001077638973 817902612 /nfs/dbraw/zinc/90/26/12/817902612.db2.gz OGWCJGSIQLSFSH-FDYHWXHSSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001077638973 817902620 /nfs/dbraw/zinc/90/26/20/817902620.db2.gz OGWCJGSIQLSFSH-FDYHWXHSSA-N 1 2 250.342 0.217 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc[nH]1 ZINC001032343717 817940868 /nfs/dbraw/zinc/94/08/68/817940868.db2.gz XDXJWOYVBNFDCR-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc[nH]1 ZINC001032343717 817940873 /nfs/dbraw/zinc/94/08/73/817940873.db2.gz XDXJWOYVBNFDCR-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691272 817943636 /nfs/dbraw/zinc/94/36/36/817943636.db2.gz WPCZDXVLACOLHG-INIZCTEOSA-N 1 2 287.363 0.926 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691272 817943641 /nfs/dbraw/zinc/94/36/41/817943641.db2.gz WPCZDXVLACOLHG-INIZCTEOSA-N 1 2 287.363 0.926 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719161 817965084 /nfs/dbraw/zinc/96/50/84/817965084.db2.gz XVRYDJAZZGKCFW-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 ZINC001107719161 817965089 /nfs/dbraw/zinc/96/50/89/817965089.db2.gz XVRYDJAZZGKCFW-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOC)C1 ZINC001107770621 817996167 /nfs/dbraw/zinc/99/61/67/817996167.db2.gz RGAVYLDOABFMPN-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOC)C1 ZINC001107770621 817996172 /nfs/dbraw/zinc/99/61/72/817996172.db2.gz RGAVYLDOABFMPN-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107806444 818018506 /nfs/dbraw/zinc/01/85/06/818018506.db2.gz FHQBRVYSHQKIJG-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107806444 818018515 /nfs/dbraw/zinc/01/85/15/818018515.db2.gz FHQBRVYSHQKIJG-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799728 818019408 /nfs/dbraw/zinc/01/94/08/818019408.db2.gz LCMCDBVGORVVGM-TZMCWYRMSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799728 818019413 /nfs/dbraw/zinc/01/94/13/818019413.db2.gz LCMCDBVGORVVGM-TZMCWYRMSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(=O)NCC)C1 ZINC001107809559 818021676 /nfs/dbraw/zinc/02/16/76/818021676.db2.gz LNAHPJTXWCTRRG-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(=O)NCC)C1 ZINC001107809559 818021683 /nfs/dbraw/zinc/02/16/83/818021683.db2.gz LNAHPJTXWCTRRG-HNNXBMFYSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cnccc3n2)[C@@H](O)C1 ZINC001083810131 818069722 /nfs/dbraw/zinc/06/97/22/818069722.db2.gz LGVKYLJBLTZYJO-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cnccc3n2)[C@@H](O)C1 ZINC001083810131 818069724 /nfs/dbraw/zinc/06/97/24/818069724.db2.gz LGVKYLJBLTZYJO-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001032824135 818070985 /nfs/dbraw/zinc/07/09/85/818070985.db2.gz QCWXDPDFUMGFAH-QEJZJMRPSA-N 1 2 286.379 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001032824135 818070992 /nfs/dbraw/zinc/07/09/92/818070992.db2.gz QCWXDPDFUMGFAH-QEJZJMRPSA-N 1 2 286.379 0.832 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(O)cc1)C2 ZINC001272961520 818158284 /nfs/dbraw/zinc/15/82/84/818158284.db2.gz CXBNLQWBCLNOQH-UHFFFAOYSA-N 1 2 288.347 0.991 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001128404855 818222569 /nfs/dbraw/zinc/22/25/69/818222569.db2.gz GFDJBIDTZKLMOG-UHFFFAOYSA-N 1 2 282.344 0.778 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CC)cn2)C1 ZINC001044195610 818280096 /nfs/dbraw/zinc/28/00/96/818280096.db2.gz ACLYYYPNCPXNNF-UHFFFAOYSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001273023921 818459129 /nfs/dbraw/zinc/45/91/29/818459129.db2.gz MOWFXRHNABOURF-CHWSQXEVSA-N 1 2 258.325 0.608 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001273023921 818459132 /nfs/dbraw/zinc/45/91/32/818459132.db2.gz MOWFXRHNABOURF-CHWSQXEVSA-N 1 2 258.325 0.608 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055641 818471961 /nfs/dbraw/zinc/47/19/61/818471961.db2.gz ZJDIHPWFKYKBCD-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055641 818471966 /nfs/dbraw/zinc/47/19/66/818471966.db2.gz ZJDIHPWFKYKBCD-SNVBAGLBSA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033071095 818490339 /nfs/dbraw/zinc/49/03/39/818490339.db2.gz JZLUZADTSWRVIP-NSHDSACASA-N 1 2 297.790 0.941 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033071095 818490347 /nfs/dbraw/zinc/49/03/47/818490347.db2.gz JZLUZADTSWRVIP-NSHDSACASA-N 1 2 297.790 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H](O)C1 ZINC001083830594 818521522 /nfs/dbraw/zinc/52/15/22/818521522.db2.gz XNWZHJKSHXIKMF-CABCVRRESA-N 1 2 283.331 0.347 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H](O)C1 ZINC001083830594 818521528 /nfs/dbraw/zinc/52/15/28/818521528.db2.gz XNWZHJKSHXIKMF-CABCVRRESA-N 1 2 283.331 0.347 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090121732 818662600 /nfs/dbraw/zinc/66/26/00/818662600.db2.gz AEVXHXVUVJIUCG-ONGXEEELSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 ZINC001090121732 818662604 /nfs/dbraw/zinc/66/26/04/818662604.db2.gz AEVXHXVUVJIUCG-ONGXEEELSA-N 1 2 285.731 0.592 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033240544 818670266 /nfs/dbraw/zinc/67/02/66/818670266.db2.gz LYCMROFWKJTNHV-JTQLQIEISA-N 1 2 278.381 0.880 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033240544 818670271 /nfs/dbraw/zinc/67/02/71/818670271.db2.gz LYCMROFWKJTNHV-JTQLQIEISA-N 1 2 278.381 0.880 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001033266797 818683268 /nfs/dbraw/zinc/68/32/68/818683268.db2.gz UFBZXLJECFAAMM-LLVKDONJSA-N 1 2 290.319 0.428 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001033266797 818683271 /nfs/dbraw/zinc/68/32/71/818683271.db2.gz UFBZXLJECFAAMM-LLVKDONJSA-N 1 2 290.319 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033322403 818708795 /nfs/dbraw/zinc/70/87/95/818708795.db2.gz UKNHKIPRTQIJGG-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033322403 818708800 /nfs/dbraw/zinc/70/88/00/818708800.db2.gz UKNHKIPRTQIJGG-WDEREUQCSA-N 1 2 285.775 0.408 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033377621 818748826 /nfs/dbraw/zinc/74/88/26/818748826.db2.gz BGEDWCZSMUTRBB-CYBMUJFWSA-N 1 2 286.335 0.076 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033377621 818748831 /nfs/dbraw/zinc/74/88/31/818748831.db2.gz BGEDWCZSMUTRBB-CYBMUJFWSA-N 1 2 286.335 0.076 20 30 CCEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033595868 818842761 /nfs/dbraw/zinc/84/27/61/818842761.db2.gz VTVHCQGQHZZTNA-NSHDSACASA-N 1 2 275.356 0.744 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033960424 819019179 /nfs/dbraw/zinc/01/91/79/819019179.db2.gz UEYOPMBKMTYCAP-UTUOFQBUSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033960424 819019185 /nfs/dbraw/zinc/01/91/85/819019185.db2.gz UEYOPMBKMTYCAP-UTUOFQBUSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090180612 819037371 /nfs/dbraw/zinc/03/73/71/819037371.db2.gz SRZUQCAOZNDLKQ-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090180612 819037376 /nfs/dbraw/zinc/03/73/76/819037376.db2.gz SRZUQCAOZNDLKQ-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035306616 819456868 /nfs/dbraw/zinc/45/68/68/819456868.db2.gz LSWRCJZZDXWWHO-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001035306616 819456871 /nfs/dbraw/zinc/45/68/71/819456871.db2.gz LSWRCJZZDXWWHO-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001035310429 819461061 /nfs/dbraw/zinc/46/10/61/819461061.db2.gz MPCDRTOVGUEBAU-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001035310429 819461064 /nfs/dbraw/zinc/46/10/64/819461064.db2.gz MPCDRTOVGUEBAU-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035315848 819466770 /nfs/dbraw/zinc/46/67/70/819466770.db2.gz GZNCLQCVEXRXMO-LLVKDONJSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035315848 819466774 /nfs/dbraw/zinc/46/67/74/819466774.db2.gz GZNCLQCVEXRXMO-LLVKDONJSA-N 1 2 279.315 0.837 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035328609 819473347 /nfs/dbraw/zinc/47/33/47/819473347.db2.gz YNLXDOOYIQQIFN-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035328609 819473351 /nfs/dbraw/zinc/47/33/51/819473351.db2.gz YNLXDOOYIQQIFN-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333089 819476824 /nfs/dbraw/zinc/47/68/24/819476824.db2.gz HFTPFGWTRUKWDE-AWEZNQCLSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333089 819476828 /nfs/dbraw/zinc/47/68/28/819476828.db2.gz HFTPFGWTRUKWDE-AWEZNQCLSA-N 1 2 291.326 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035349042 819487337 /nfs/dbraw/zinc/48/73/37/819487337.db2.gz CLSVAWRGAQHVRP-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC001035349042 819487341 /nfs/dbraw/zinc/48/73/41/819487341.db2.gz CLSVAWRGAQHVRP-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001035370668 819492528 /nfs/dbraw/zinc/49/25/28/819492528.db2.gz PLROERDAMYEUNS-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001035370668 819492533 /nfs/dbraw/zinc/49/25/33/819492533.db2.gz PLROERDAMYEUNS-GFCCVEGCSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035401486 819507840 /nfs/dbraw/zinc/50/78/40/819507840.db2.gz JPBPRCJCVLELDC-CYBMUJFWSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035401486 819507844 /nfs/dbraw/zinc/50/78/44/819507844.db2.gz JPBPRCJCVLELDC-CYBMUJFWSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC001035380247 819510227 /nfs/dbraw/zinc/51/02/27/819510227.db2.gz GETUJENVCUGNFU-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC001035380247 819510235 /nfs/dbraw/zinc/51/02/35/819510235.db2.gz GETUJENVCUGNFU-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001035485103 819533588 /nfs/dbraw/zinc/53/35/88/819533588.db2.gz NTLQTRHTAKNMPO-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001035485103 819533590 /nfs/dbraw/zinc/53/35/90/819533590.db2.gz NTLQTRHTAKNMPO-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001035547565 819561843 /nfs/dbraw/zinc/56/18/43/819561843.db2.gz RXXHTTLVVAPFKR-KKUMJFAQSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001035547565 819561851 /nfs/dbraw/zinc/56/18/51/819561851.db2.gz RXXHTTLVVAPFKR-KKUMJFAQSA-N 1 2 294.395 0.971 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1NCC#N ZINC001036114379 819689606 /nfs/dbraw/zinc/68/96/06/819689606.db2.gz DKPQDUBWSDQIAI-OLZOCXBDSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC1(O)CC[NH+](CCS(=O)(=O)CCC)CC1 ZINC000708149256 819760734 /nfs/dbraw/zinc/76/07/34/819760734.db2.gz PZAWMVZNEHJSGM-UHFFFAOYSA-N 1 2 259.371 0.271 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@@H](O)C1 ZINC001083877261 820018290 /nfs/dbraw/zinc/01/82/90/820018290.db2.gz PPLQYVJTPFMSMD-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)c2)[C@@H](O)C1 ZINC001083877261 820018296 /nfs/dbraw/zinc/01/82/96/820018296.db2.gz PPLQYVJTPFMSMD-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036701808 820049164 /nfs/dbraw/zinc/04/91/64/820049164.db2.gz CQSXCFNDUQUGIK-OLZOCXBDSA-N 1 2 287.367 0.789 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001079649855 820443461 /nfs/dbraw/zinc/44/34/61/820443461.db2.gz ZFIOHUXNBQVCJR-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001079649855 820443466 /nfs/dbraw/zinc/44/34/66/820443466.db2.gz ZFIOHUXNBQVCJR-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982129 820499357 /nfs/dbraw/zinc/49/93/57/820499357.db2.gz OMNMBVGJMLZIKX-YRGRVCCFSA-N 1 2 287.367 0.406 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C ZINC001080850553 820646130 /nfs/dbraw/zinc/64/61/30/820646130.db2.gz UPLGQVFPUMBSJJ-BXKDBHETSA-N 1 2 261.329 0.221 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H](OC)C1 ZINC001081840815 820853638 /nfs/dbraw/zinc/85/36/38/820853638.db2.gz VGHBYTQUNSNJBO-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H](OC)C1 ZINC001081840815 820853646 /nfs/dbraw/zinc/85/36/46/820853646.db2.gz VGHBYTQUNSNJBO-CHWSQXEVSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1 ZINC001081957489 820868081 /nfs/dbraw/zinc/86/80/81/820868081.db2.gz RZKGBHFQBGEMRL-VQJWOFKYSA-N 1 2 292.379 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1 ZINC001081957489 820868091 /nfs/dbraw/zinc/86/80/91/820868091.db2.gz RZKGBHFQBGEMRL-VQJWOFKYSA-N 1 2 292.379 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 ZINC001081999044 820873224 /nfs/dbraw/zinc/87/32/24/820873224.db2.gz WRIPGVHKWNZGCR-ZYHUDNBSSA-N 1 2 263.297 0.127 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 ZINC001081999044 820873234 /nfs/dbraw/zinc/87/32/34/820873234.db2.gz WRIPGVHKWNZGCR-ZYHUDNBSSA-N 1 2 263.297 0.127 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1NCC#N ZINC001082732589 821028524 /nfs/dbraw/zinc/02/85/24/821028524.db2.gz LNPCQEARNGQVAW-NTZNESFSSA-N 1 2 287.367 0.790 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC001082981279 821087032 /nfs/dbraw/zinc/08/70/32/821087032.db2.gz QDEKYFMMBMPXHR-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 ZINC001082981279 821087034 /nfs/dbraw/zinc/08/70/34/821087034.db2.gz QDEKYFMMBMPXHR-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083022531 821113542 /nfs/dbraw/zinc/11/35/42/821113542.db2.gz LXOBDUOAFIHEIG-NWDGAFQWSA-N 1 2 277.349 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083022531 821113551 /nfs/dbraw/zinc/11/35/51/821113551.db2.gz LXOBDUOAFIHEIG-NWDGAFQWSA-N 1 2 277.349 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC(OCC)C3)[C@H]2C1 ZINC001083072745 821117942 /nfs/dbraw/zinc/11/79/42/821117942.db2.gz WHCYCCJFIMSLQG-PFSRBDOWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(OCC)C3)[C@H]2C1 ZINC001083072745 821117949 /nfs/dbraw/zinc/11/79/49/821117949.db2.gz WHCYCCJFIMSLQG-PFSRBDOWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncc3F)[C@H]2C1 ZINC001083032902 821121012 /nfs/dbraw/zinc/12/10/12/821121012.db2.gz UFCOEZYBJJQESQ-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncc3F)[C@H]2C1 ZINC001083032902 821121016 /nfs/dbraw/zinc/12/10/16/821121016.db2.gz UFCOEZYBJJQESQ-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001084833678 821407178 /nfs/dbraw/zinc/40/71/78/821407178.db2.gz QATPKPDDACUSBV-HUUCEWRRSA-N 1 2 286.379 0.748 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001084833678 821407182 /nfs/dbraw/zinc/40/71/82/821407182.db2.gz QATPKPDDACUSBV-HUUCEWRRSA-N 1 2 286.379 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001085546466 821780142 /nfs/dbraw/zinc/78/01/42/821780142.db2.gz ZFORNZMTKWDHQI-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001085546466 821780143 /nfs/dbraw/zinc/78/01/43/821780143.db2.gz ZFORNZMTKWDHQI-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCOC2 ZINC001085650923 821870947 /nfs/dbraw/zinc/87/09/47/821870947.db2.gz FADRJWBCERSHCT-GFCCVEGCSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCOC2 ZINC001085650923 821870950 /nfs/dbraw/zinc/87/09/50/821870950.db2.gz FADRJWBCERSHCT-GFCCVEGCSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085659103 821879975 /nfs/dbraw/zinc/87/99/75/821879975.db2.gz KAIUURWCMNGFOY-LBPRGKRZSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085659103 821879983 /nfs/dbraw/zinc/87/99/83/821879983.db2.gz KAIUURWCMNGFOY-LBPRGKRZSA-N 1 2 274.368 0.762 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085681519 821893299 /nfs/dbraw/zinc/89/32/99/821893299.db2.gz ZYXRWYJEIKIIMX-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085762020 821934478 /nfs/dbraw/zinc/93/44/78/821934478.db2.gz ZCBVRHDUHOIIHN-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085762020 821934484 /nfs/dbraw/zinc/93/44/84/821934484.db2.gz ZCBVRHDUHOIIHN-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855975 821982595 /nfs/dbraw/zinc/98/25/95/821982595.db2.gz NVTJLQIHPHFKDE-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855975 821982604 /nfs/dbraw/zinc/98/26/04/821982604.db2.gz NVTJLQIHPHFKDE-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncn1 ZINC001085880004 821992391 /nfs/dbraw/zinc/99/23/91/821992391.db2.gz OYAHJOJSDFGEKB-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncn1 ZINC001085880004 821992396 /nfs/dbraw/zinc/99/23/96/821992396.db2.gz OYAHJOJSDFGEKB-GFCCVEGCSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085896430 822005446 /nfs/dbraw/zinc/00/54/46/822005446.db2.gz CZSYZVLXLFBPKZ-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085896430 822005451 /nfs/dbraw/zinc/00/54/51/822005451.db2.gz CZSYZVLXLFBPKZ-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085897559 822006761 /nfs/dbraw/zinc/00/67/61/822006761.db2.gz HUBFOMRNLMGKBM-CYBMUJFWSA-N 1 2 289.383 0.858 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085897559 822006768 /nfs/dbraw/zinc/00/67/68/822006768.db2.gz HUBFOMRNLMGKBM-CYBMUJFWSA-N 1 2 289.383 0.858 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085948198 822032504 /nfs/dbraw/zinc/03/25/04/822032504.db2.gz DHONGMDZUUBQIK-LLVKDONJSA-N 1 2 278.331 0.647 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085948198 822032509 /nfs/dbraw/zinc/03/25/09/822032509.db2.gz DHONGMDZUUBQIK-LLVKDONJSA-N 1 2 278.331 0.647 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108306547 822345342 /nfs/dbraw/zinc/34/53/42/822345342.db2.gz KZQRRIHYWOUZON-LSDHHAIUSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108306547 822345348 /nfs/dbraw/zinc/34/53/48/822345348.db2.gz KZQRRIHYWOUZON-LSDHHAIUSA-N 1 2 282.384 0.806 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114066804 837420856 /nfs/dbraw/zinc/42/08/56/837420856.db2.gz IMFFIXXHQVMQQS-YJQGPUDQSA-N 1 2 260.297 0.381 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114066804 837420860 /nfs/dbraw/zinc/42/08/60/837420860.db2.gz IMFFIXXHQVMQQS-YJQGPUDQSA-N 1 2 260.297 0.381 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nonc1C ZINC001129514641 837524809 /nfs/dbraw/zinc/52/48/09/837524809.db2.gz YWUSBMCLOSWIFL-UHFFFAOYSA-N 1 2 289.339 0.885 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001108430928 836078979 /nfs/dbraw/zinc/07/89/79/836078979.db2.gz QISMTCVPVGSODY-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989748 836103675 /nfs/dbraw/zinc/10/36/75/836103675.db2.gz WQGSHVPFEXYJLW-DCAQKATOSA-N 1 2 254.286 0.586 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444114 836118250 /nfs/dbraw/zinc/11/82/50/836118250.db2.gz BNUXORVCLXOVST-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]cnc2C)C1 ZINC001108444114 836118255 /nfs/dbraw/zinc/11/82/55/836118255.db2.gz BNUXORVCLXOVST-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001108456185 836201811 /nfs/dbraw/zinc/20/18/11/836201811.db2.gz RXJUQWOSYLTVJI-JTQLQIEISA-N 1 2 299.338 0.241 20 30 CCEDLO Cn1c(=O)ccc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc21 ZINC001156320290 836280013 /nfs/dbraw/zinc/28/00/13/836280013.db2.gz VYXUCXKOMWQUFT-NSHDSACASA-N 1 2 269.308 0.235 20 30 CCEDLO CCN(CC)C(=O)C[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001169462823 836297671 /nfs/dbraw/zinc/29/76/71/836297671.db2.gz HPQIQTSTFJPJNJ-NWDGAFQWSA-N 1 2 252.362 0.431 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C=C(C)C)CC2=O)C1 ZINC001108503406 836359192 /nfs/dbraw/zinc/35/91/92/836359192.db2.gz BNSWGZPQLIUSMC-GFCCVEGCSA-N 1 2 277.368 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C\CC)CC2=O)C1 ZINC001108514552 836387053 /nfs/dbraw/zinc/38/70/53/836387053.db2.gz FYZYJDONLMMKPK-TZQNSNDFSA-N 1 2 291.395 0.930 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 ZINC001108527430 836422523 /nfs/dbraw/zinc/42/25/23/836422523.db2.gz IPRYPGSHWCBAHP-RYUDHWBXSA-N 1 2 290.367 0.123 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](F)C(C)C)CC2=O)C1 ZINC001108560769 836448990 /nfs/dbraw/zinc/44/89/90/836448990.db2.gz MWARBJYAZTVQNW-BXUZGUMPSA-N 1 2 297.374 0.568 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCCC2(C1)OCCO2 ZINC001169935354 836483217 /nfs/dbraw/zinc/48/32/17/836483217.db2.gz XWEWELSILDOPIN-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058524 836610976 /nfs/dbraw/zinc/61/09/76/836610976.db2.gz ZFEBVHLPKYBVTH-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109329449 836657680 /nfs/dbraw/zinc/65/76/80/836657680.db2.gz WUOFUORLIYKHAB-RDBSUJKOSA-N 1 2 291.395 0.962 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109329449 836657684 /nfs/dbraw/zinc/65/76/84/836657684.db2.gz WUOFUORLIYKHAB-RDBSUJKOSA-N 1 2 291.395 0.962 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109603113 836701687 /nfs/dbraw/zinc/70/16/87/836701687.db2.gz IFTDGQBQCVQNDJ-NDBYEHHHSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109603113 836701693 /nfs/dbraw/zinc/70/16/93/836701693.db2.gz IFTDGQBQCVQNDJ-NDBYEHHHSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001112630248 836832624 /nfs/dbraw/zinc/83/26/24/836832624.db2.gz RPENNKPTANKTLD-UHFFFAOYSA-N 1 2 283.397 0.590 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001112650962 836841675 /nfs/dbraw/zinc/84/16/75/836841675.db2.gz SZUCYVNPTOSZAM-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001112650962 836841682 /nfs/dbraw/zinc/84/16/82/836841682.db2.gz SZUCYVNPTOSZAM-UHFFFAOYSA-N 1 2 278.356 0.679 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001114952470 836887698 /nfs/dbraw/zinc/88/76/98/836887698.db2.gz VOKQIVRHWPIXTF-FTYKPCCVSA-N 1 2 273.340 0.158 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001114952470 836887709 /nfs/dbraw/zinc/88/77/09/836887709.db2.gz VOKQIVRHWPIXTF-FTYKPCCVSA-N 1 2 273.340 0.158 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001112817416 836929839 /nfs/dbraw/zinc/92/98/39/836929839.db2.gz KBJFCWRKIIDDSC-CYBMUJFWSA-N 1 2 270.373 0.350 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN(C)C(=O)C(C)C)CC1 ZINC001112910992 836961028 /nfs/dbraw/zinc/96/10/28/836961028.db2.gz NOTBNQKDHFCGSF-UHFFFAOYSA-N 1 2 267.373 0.431 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC001112910757 836961211 /nfs/dbraw/zinc/96/12/11/836961211.db2.gz KIWZJTAUOVVKGA-KGLIPLIRSA-N 1 2 291.395 0.316 20 30 CCEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154382 837037489 /nfs/dbraw/zinc/03/74/89/837037489.db2.gz CVEJRJOIXRPLDS-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 ZINC001113368946 837102501 /nfs/dbraw/zinc/10/25/01/837102501.db2.gz ZQPDJEMBYQNAAS-GFCCVEGCSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC(C)C)NC(C)=O)CC1 ZINC001113565046 837160576 /nfs/dbraw/zinc/16/05/76/837160576.db2.gz RJXPSFPQWQPUNN-CQSZACIVSA-N 1 2 281.400 0.867 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001113626256 837183095 /nfs/dbraw/zinc/18/30/95/837183095.db2.gz ARQLWHSHVHAYRR-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccncc1C#N ZINC001113696293 837197379 /nfs/dbraw/zinc/19/73/79/837197379.db2.gz VXPYLGILNKILEB-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1cncc(C#N)n1 ZINC001113695347 837197601 /nfs/dbraw/zinc/19/76/01/837197601.db2.gz AEWWAPSYLKOUAO-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113710886 837201530 /nfs/dbraw/zinc/20/15/30/837201530.db2.gz YCBZMYMLQYTVSV-CYBMUJFWSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 ZINC001113736655 837210344 /nfs/dbraw/zinc/21/03/44/837210344.db2.gz NXLKGPUENPNQMY-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001131330787 838049053 /nfs/dbraw/zinc/04/90/53/838049053.db2.gz YSDJAKWABCQBHZ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001131330787 838049062 /nfs/dbraw/zinc/04/90/62/838049062.db2.gz YSDJAKWABCQBHZ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[N@@H+](C)C[C@H]2C(=O)OC)C1 ZINC001184787557 844287172 /nfs/dbraw/zinc/28/71/72/844287172.db2.gz QWAYVOMSXOACAX-NSHDSACASA-N 1 2 266.341 0.658 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[N@H+](C)C[C@H]2C(=O)OC)C1 ZINC001184787557 844287183 /nfs/dbraw/zinc/28/71/83/844287183.db2.gz QWAYVOMSXOACAX-NSHDSACASA-N 1 2 266.341 0.658 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CN1CC#N ZINC001132024912 838293464 /nfs/dbraw/zinc/29/34/64/838293464.db2.gz KBLSNMXXGSFLLM-NEPJUHHUSA-N 1 2 275.356 0.835 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433781 838397523 /nfs/dbraw/zinc/39/75/23/838397523.db2.gz PXUPUJCUHMIFBI-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433781 838397531 /nfs/dbraw/zinc/39/75/31/838397531.db2.gz PXUPUJCUHMIFBI-QWHCGFSZSA-N 1 2 293.411 0.751 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132667601 838465357 /nfs/dbraw/zinc/46/53/57/838465357.db2.gz OOCQVFLOGJCJSR-NSHDSACASA-N 1 2 295.387 0.944 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001133154380 838563229 /nfs/dbraw/zinc/56/32/29/838563229.db2.gz IBLNMVNQHLGCKP-UHFFFAOYSA-N 1 2 282.344 0.778 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001134062296 838847263 /nfs/dbraw/zinc/84/72/63/838847263.db2.gz WBSBIHZBCMDFRQ-JLLWLGSASA-N 1 2 294.355 0.736 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)NCC#N ZINC001136030808 839500399 /nfs/dbraw/zinc/50/03/99/839500399.db2.gz CDHNTKXJKWGQDZ-ZJUUUORDSA-N 1 2 263.345 0.657 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)nc1 ZINC001090737002 839765517 /nfs/dbraw/zinc/76/55/17/839765517.db2.gz MKROEUSIQIHUEM-GXTWGEPZSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)nc1 ZINC001090737002 839765518 /nfs/dbraw/zinc/76/55/18/839765518.db2.gz MKROEUSIQIHUEM-GXTWGEPZSA-N 1 2 291.326 0.197 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC1 ZINC001144361506 840017960 /nfs/dbraw/zinc/01/79/60/840017960.db2.gz QDNYDZGPPUDDJI-ZDUSSCGKSA-N 1 2 267.373 0.477 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106742 840052244 /nfs/dbraw/zinc/05/22/44/840052244.db2.gz UUBUBNZLOXYGRB-OTTFEQOBSA-N 1 2 287.367 0.453 20 30 CCEDLO C#CCC[NH2+]CCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001147368567 840570948 /nfs/dbraw/zinc/57/09/48/840570948.db2.gz BQGZIYPOBMIAQD-UHFFFAOYSA-N 1 2 286.339 0.153 20 30 CCEDLO C=CCC[NH2+]CCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001147369192 840572133 /nfs/dbraw/zinc/57/21/33/840572133.db2.gz NVVMWYKTHHWHHI-UHFFFAOYSA-N 1 2 288.355 0.706 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC001171363057 840952021 /nfs/dbraw/zinc/95/20/21/840952021.db2.gz PRKUERPNIBXGMS-CABZTGNLSA-N 1 2 277.328 0.725 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC001171363057 840952033 /nfs/dbraw/zinc/95/20/33/840952033.db2.gz PRKUERPNIBXGMS-CABZTGNLSA-N 1 2 277.328 0.725 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn[nH]1)c1nccn12 ZINC001092352852 841007552 /nfs/dbraw/zinc/00/75/52/841007552.db2.gz RYNZGXANBFZRIQ-LBPRGKRZSA-N 1 2 298.350 0.678 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001093582243 841349436 /nfs/dbraw/zinc/34/94/36/841349436.db2.gz NWEFOUXRCURPKC-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C#CCOCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093893358 841487834 /nfs/dbraw/zinc/48/78/34/841487834.db2.gz XMNXNXDJFMMIKC-UHFFFAOYSA-N 1 2 262.313 0.353 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001094224798 841572154 /nfs/dbraw/zinc/57/21/54/841572154.db2.gz BIGHYTQZQUGSEP-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001094224798 841572165 /nfs/dbraw/zinc/57/21/65/841572165.db2.gz BIGHYTQZQUGSEP-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 ZINC001094691083 841704512 /nfs/dbraw/zinc/70/45/12/841704512.db2.gz ATJQDXKZDFYOAH-LBPRGKRZSA-N 1 2 277.368 0.374 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC3(F)F)CC2=O)C1 ZINC001094735877 841715348 /nfs/dbraw/zinc/71/53/48/841715348.db2.gz VPPQPLZEASPEQD-KOLCDFICSA-N 1 2 299.321 0.229 20 30 CCEDLO N#Cc1nccc(NCCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001094855799 841779007 /nfs/dbraw/zinc/77/90/07/841779007.db2.gz GKEYKEQNQMRUCZ-UHFFFAOYSA-N 1 2 299.338 0.044 20 30 CCEDLO N#Cc1nccc(NCCCNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001094855799 841779012 /nfs/dbraw/zinc/77/90/12/841779012.db2.gz GKEYKEQNQMRUCZ-UHFFFAOYSA-N 1 2 299.338 0.044 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@H+](C)CCC#N)C[C@@H]1C(=O)OC ZINC001173573658 842106829 /nfs/dbraw/zinc/10/68/29/842106829.db2.gz WZHXYEXAOYGJBR-JGPRNRPPSA-N 1 2 268.313 0.573 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([N@@H+](C)CCC#N)C[C@@H]1C(=O)OC ZINC001173573658 842106835 /nfs/dbraw/zinc/10/68/35/842106835.db2.gz WZHXYEXAOYGJBR-JGPRNRPPSA-N 1 2 268.313 0.573 20 30 CCEDLO N=C(c1ccccc1N)N(O)C(=O)Cc1c[nH+]c[nH]1 ZINC001176831858 842417801 /nfs/dbraw/zinc/41/78/01/842417801.db2.gz BHQHQQWKQIEVQB-UHFFFAOYSA-N 1 2 259.269 0.778 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176987286 842477928 /nfs/dbraw/zinc/47/79/28/842477928.db2.gz ASYHUUQPHRTUNC-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176987286 842477939 /nfs/dbraw/zinc/47/79/39/842477939.db2.gz ASYHUUQPHRTUNC-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 ZINC001176994891 842479295 /nfs/dbraw/zinc/47/92/95/842479295.db2.gz QVWLWQZSADGZQD-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 ZINC001176994891 842479303 /nfs/dbraw/zinc/47/93/03/842479303.db2.gz QVWLWQZSADGZQD-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001177133121 842510006 /nfs/dbraw/zinc/51/00/06/842510006.db2.gz KPXPAAGJLGMCRU-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001177133121 842510013 /nfs/dbraw/zinc/51/00/13/842510013.db2.gz KPXPAAGJLGMCRU-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO CO/N=C(\C(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC001177346786 842561215 /nfs/dbraw/zinc/56/12/15/842561215.db2.gz FYZZGSUTFSFYIX-PTNGSMBKSA-N 1 2 262.269 0.643 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)C#Cc2cccnc2)c1 ZINC001177781422 842675957 /nfs/dbraw/zinc/67/59/57/842675957.db2.gz SRIIYLJCVNILMG-UHFFFAOYSA-N 1 2 254.293 0.526 20 30 CCEDLO O=C(C#Cc1cccnc1)NCC1([NH+]2CCCC2)COC1 ZINC001177781637 842676275 /nfs/dbraw/zinc/67/62/75/842676275.db2.gz XKDWOAGPBRNJAN-UHFFFAOYSA-N 1 2 285.347 0.414 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224328 842920421 /nfs/dbraw/zinc/92/04/21/842920421.db2.gz LEGAGYFYIMWQNG-UPJWGTAASA-N 1 2 290.367 0.148 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224328 842920431 /nfs/dbraw/zinc/92/04/31/842920431.db2.gz LEGAGYFYIMWQNG-UPJWGTAASA-N 1 2 290.367 0.148 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001179896134 843069735 /nfs/dbraw/zinc/06/97/35/843069735.db2.gz QRQVPPLBEADCOZ-CYBMUJFWSA-N 1 2 272.352 0.928 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C#N)cc2C#N)C1 ZINC001180758244 843282167 /nfs/dbraw/zinc/28/21/67/843282167.db2.gz BNMFKDDZRRNEJL-CYBMUJFWSA-N 1 2 270.292 0.699 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C#N)cc2C#N)C1 ZINC001180758244 843282176 /nfs/dbraw/zinc/28/21/76/843282176.db2.gz BNMFKDDZRRNEJL-CYBMUJFWSA-N 1 2 270.292 0.699 20 30 CCEDLO C=CCN1CC2(C[NH+](CCCOC)C2)OCC1=O ZINC001273470076 843443737 /nfs/dbraw/zinc/44/37/37/843443737.db2.gz SHZISQFWRIWCRR-UHFFFAOYSA-N 1 2 254.330 0.122 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001181598990 843544550 /nfs/dbraw/zinc/54/45/50/843544550.db2.gz KUODLNPDPJSMNH-ZYHUDNBSSA-N 1 2 294.355 0.832 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COC(=O)[C@@H]2C)CC1 ZINC001182080809 843710363 /nfs/dbraw/zinc/71/03/63/843710363.db2.gz NWCKLMMGCQXIHX-GHMZBOCLSA-N 1 2 252.314 0.126 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182505102 843847302 /nfs/dbraw/zinc/84/73/02/843847302.db2.gz PTBFXXWOCHLYPA-GHMZBOCLSA-N 1 2 294.380 0.267 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC2OCCO2)CC1 ZINC001182728159 843907668 /nfs/dbraw/zinc/90/76/68/843907668.db2.gz VKCLDKPTNDSQCG-UHFFFAOYSA-N 1 2 254.330 0.470 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001110395149 844737365 /nfs/dbraw/zinc/73/73/65/844737365.db2.gz XMTPCPSPDKMMBL-OXHZDVMGSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001110395149 844737376 /nfs/dbraw/zinc/73/73/76/844737376.db2.gz XMTPCPSPDKMMBL-OXHZDVMGSA-N 1 2 287.367 0.801 20 30 CCEDLO N#Cc1ccnc(C[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC001190721381 845477001 /nfs/dbraw/zinc/47/70/01/845477001.db2.gz MGZWBCVDTOYSIP-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO N#Cc1ccnc(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC001190721381 845477006 /nfs/dbraw/zinc/47/70/06/845477006.db2.gz MGZWBCVDTOYSIP-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO C=CCC1(S(=O)(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001190823293 845511597 /nfs/dbraw/zinc/51/15/97/845511597.db2.gz SCNFXBAWQHSDED-UHFFFAOYSA-N 1 2 269.370 0.991 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001190905406 845543014 /nfs/dbraw/zinc/54/30/14/845543014.db2.gz UWLQZVBFJVKSFW-CHWSQXEVSA-N 1 2 294.376 0.173 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001190905406 845543029 /nfs/dbraw/zinc/54/30/29/845543029.db2.gz UWLQZVBFJVKSFW-CHWSQXEVSA-N 1 2 294.376 0.173 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001191622461 845696347 /nfs/dbraw/zinc/69/63/47/845696347.db2.gz NIYILQMNDHDSSR-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001191622461 845696350 /nfs/dbraw/zinc/69/63/50/845696350.db2.gz NIYILQMNDHDSSR-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1O ZINC001191714671 845713442 /nfs/dbraw/zinc/71/34/42/845713442.db2.gz IIRFWWDHERBCLB-ZIAGYGMSSA-N 1 2 293.367 0.865 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1O ZINC001191714671 845713444 /nfs/dbraw/zinc/71/34/44/845713444.db2.gz IIRFWWDHERBCLB-ZIAGYGMSSA-N 1 2 293.367 0.865 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001191853133 845741697 /nfs/dbraw/zinc/74/16/97/845741697.db2.gz BKQSUCTUJZBRRV-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001191853133 845741701 /nfs/dbraw/zinc/74/17/01/845741701.db2.gz BKQSUCTUJZBRRV-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761088 845903518 /nfs/dbraw/zinc/90/35/18/845903518.db2.gz DZYZSBJWMWHAFQ-CHWSQXEVSA-N 1 2 291.351 0.304 20 30 CCEDLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761088 845903526 /nfs/dbraw/zinc/90/35/26/845903526.db2.gz DZYZSBJWMWHAFQ-CHWSQXEVSA-N 1 2 291.351 0.304 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001192979615 845961153 /nfs/dbraw/zinc/96/11/53/845961153.db2.gz PPYHAIWDMKQFCJ-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001192979615 845961155 /nfs/dbraw/zinc/96/11/55/845961155.db2.gz PPYHAIWDMKQFCJ-LLVKDONJSA-N 1 2 271.280 0.010 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193391445 846070126 /nfs/dbraw/zinc/07/01/26/846070126.db2.gz ORSNDSOGMYUZPD-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193391445 846070134 /nfs/dbraw/zinc/07/01/34/846070134.db2.gz ORSNDSOGMYUZPD-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C[NH+]1CCC(CO)(NC(=O)c2cccc(C#N)c2O)CC1 ZINC001193658972 846139803 /nfs/dbraw/zinc/13/98/03/846139803.db2.gz IEAFLXWWKJTTCN-UHFFFAOYSA-N 1 2 289.335 0.450 20 30 CCEDLO C=CCN1CC[N@@H+](C)C2(CCN(C(=O)OC)CC2)C1=O ZINC001193889483 846166346 /nfs/dbraw/zinc/16/63/46/846166346.db2.gz CPYGDTMLWNXAIR-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CCN1CC[N@H+](C)C2(CCN(C(=O)OC)CC2)C1=O ZINC001193889483 846166350 /nfs/dbraw/zinc/16/63/50/846166350.db2.gz CPYGDTMLWNXAIR-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)NC(C)=O)CO2 ZINC001273676371 846287115 /nfs/dbraw/zinc/28/71/15/846287115.db2.gz UVTAKFRERZXILT-DGCLKSJQSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612456 846327811 /nfs/dbraw/zinc/32/78/11/846327811.db2.gz NHDDWKMGTRPHNP-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612456 846327821 /nfs/dbraw/zinc/32/78/21/846327821.db2.gz NHDDWKMGTRPHNP-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321212 846493031 /nfs/dbraw/zinc/49/30/31/846493031.db2.gz FRFGARQHAFNPHL-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321212 846493036 /nfs/dbraw/zinc/49/30/36/846493036.db2.gz FRFGARQHAFNPHL-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001195654597 846600184 /nfs/dbraw/zinc/60/01/84/846600184.db2.gz XKNNZVCSHKMZEM-ZIAGYGMSSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001195654597 846600191 /nfs/dbraw/zinc/60/01/91/846600191.db2.gz XKNNZVCSHKMZEM-ZIAGYGMSSA-N 1 2 266.385 0.997 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195770328 846614785 /nfs/dbraw/zinc/61/47/85/846614785.db2.gz HUEIKANKBPVVQX-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195770328 846614792 /nfs/dbraw/zinc/61/47/92/846614792.db2.gz HUEIKANKBPVVQX-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCOCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195824528 846635257 /nfs/dbraw/zinc/63/52/57/846635257.db2.gz SZMRUPDKWYSNIV-UHFFFAOYSA-N 1 2 256.321 0.530 20 30 CCEDLO C#CCOCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195824528 846635261 /nfs/dbraw/zinc/63/52/61/846635261.db2.gz SZMRUPDKWYSNIV-UHFFFAOYSA-N 1 2 256.321 0.530 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](F)C(C)C)CO2 ZINC001273713020 846682020 /nfs/dbraw/zinc/68/20/20/846682020.db2.gz MNCLYOZGFKJTQQ-CHWSQXEVSA-N 1 2 282.359 0.963 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273712418 846686315 /nfs/dbraw/zinc/68/63/15/846686315.db2.gz DWWSNVHEBKDSAV-OLZOCXBDSA-N 1 2 282.384 0.541 20 30 CCEDLO N#Cc1cccnc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001196562282 846778820 /nfs/dbraw/zinc/77/88/20/846778820.db2.gz VXPXQHIZJXAPJP-UHFFFAOYSA-N 1 2 272.308 0.015 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001197396745 846899338 /nfs/dbraw/zinc/89/93/38/846899338.db2.gz MNFCHLSDDDMDNG-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001197396745 846899341 /nfs/dbraw/zinc/89/93/41/846899341.db2.gz MNFCHLSDDDMDNG-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754301 846987339 /nfs/dbraw/zinc/98/73/39/846987339.db2.gz MEZIYHIKAIIPBG-QWHCGFSZSA-N 1 2 274.286 0.944 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754301 846987346 /nfs/dbraw/zinc/98/73/46/846987346.db2.gz MEZIYHIKAIIPBG-QWHCGFSZSA-N 1 2 274.286 0.944 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198053910 847025840 /nfs/dbraw/zinc/02/58/40/847025840.db2.gz MXGIQTPIELXODJ-UHFFFAOYSA-N 1 2 288.779 0.332 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198053910 847025852 /nfs/dbraw/zinc/02/58/52/847025852.db2.gz MXGIQTPIELXODJ-UHFFFAOYSA-N 1 2 288.779 0.332 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001251851250 847204084 /nfs/dbraw/zinc/20/40/84/847204084.db2.gz HJOVFHNVAUIAJD-ZDUSSCGKSA-N 1 2 279.311 0.899 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001251887675 847337682 /nfs/dbraw/zinc/33/76/82/847337682.db2.gz HFJPCRAMKIXAOH-JTQLQIEISA-N 1 2 251.286 0.047 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(CCO)ccn2)CC1 ZINC001199762821 847425699 /nfs/dbraw/zinc/42/56/99/847425699.db2.gz WQQNAVNJLPMKNR-UHFFFAOYSA-N 1 2 275.352 0.560 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)N[C@@H](C)C(=O)OCC)CC1 ZINC001199837949 847448257 /nfs/dbraw/zinc/44/82/57/847448257.db2.gz QTFWBGFPHQUEJN-NSHDSACASA-N 1 2 285.413 0.616 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H](COC)C(=O)OC ZINC001273803242 847528848 /nfs/dbraw/zinc/52/88/48/847528848.db2.gz DCPHQLIRTKHIIP-JHJVBQTASA-N 1 2 296.367 0.426 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@H](COC)C(=O)OC ZINC001273803242 847528858 /nfs/dbraw/zinc/52/88/58/847528858.db2.gz DCPHQLIRTKHIIP-JHJVBQTASA-N 1 2 296.367 0.426 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nonc1C ZINC001273985556 848201107 /nfs/dbraw/zinc/20/11/07/848201107.db2.gz OMXOPPMTHJFUEY-OAHLLOKOSA-N 1 2 288.351 0.968 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nonc1C ZINC001273985556 848201116 /nfs/dbraw/zinc/20/11/16/848201116.db2.gz OMXOPPMTHJFUEY-OAHLLOKOSA-N 1 2 288.351 0.968 20 30 CCEDLO COCCOCNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031473 848310761 /nfs/dbraw/zinc/31/07/61/848310761.db2.gz RMBYXNQBEDUIPO-ZDUSSCGKSA-N 1 2 295.383 0.739 20 30 CCEDLO CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031769 848311552 /nfs/dbraw/zinc/31/15/52/848311552.db2.gz ZXUWZNIAYMDUTC-ABAIWWIYSA-N 1 2 291.351 0.719 20 30 CCEDLO CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031769 848311561 /nfs/dbraw/zinc/31/15/61/848311561.db2.gz ZXUWZNIAYMDUTC-ABAIWWIYSA-N 1 2 291.351 0.719 20 30 CCEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274356747 848460604 /nfs/dbraw/zinc/46/06/04/848460604.db2.gz XYIVLIWVFUHVMD-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274356747 848460608 /nfs/dbraw/zinc/46/06/08/848460608.db2.gz XYIVLIWVFUHVMD-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCC(F)F)CC2)C1 ZINC001274474217 848485917 /nfs/dbraw/zinc/48/59/17/848485917.db2.gz GECKFXWIBBYJOJ-UHFFFAOYSA-N 1 2 299.365 0.883 20 30 CCEDLO N#Cc1cc(F)cc(S(=O)(=O)NCC[NH+]2CC=CC2)c1 ZINC000719972965 848964040 /nfs/dbraw/zinc/96/40/40/848964040.db2.gz CMXJVQHMTCBJHT-UHFFFAOYSA-N 1 2 295.339 0.847 20 30 CCEDLO N#CCNCC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001276244886 848971750 /nfs/dbraw/zinc/97/17/50/848971750.db2.gz XELOELQUTYRNBI-UHFFFAOYSA-N 1 2 275.356 0.815 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114754629 849389174 /nfs/dbraw/zinc/38/91/74/849389174.db2.gz FHNULGYVNBJOKZ-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114754629 849389182 /nfs/dbraw/zinc/38/91/82/849389182.db2.gz FHNULGYVNBJOKZ-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO C[C@H](NC(=O)C1=CCCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276367496 849745197 /nfs/dbraw/zinc/74/51/97/849745197.db2.gz BYCUONLPGIHWMZ-NSHDSACASA-N 1 2 290.367 0.173 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276377158 849795909 /nfs/dbraw/zinc/79/59/09/849795909.db2.gz SVWMOZZGWKINRN-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038328020 849854492 /nfs/dbraw/zinc/85/44/92/849854492.db2.gz LZUFRESFPMQAKU-LBPRGKRZSA-N 1 2 289.383 0.861 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038328020 849854499 /nfs/dbraw/zinc/85/44/99/849854499.db2.gz LZUFRESFPMQAKU-LBPRGKRZSA-N 1 2 289.383 0.861 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCN1CC#N)C2 ZINC001038432397 849895288 /nfs/dbraw/zinc/89/52/88/849895288.db2.gz VDVBWSFLBMQMNG-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCN1CC#N)CC2 ZINC001038432397 849895299 /nfs/dbraw/zinc/89/52/99/849895299.db2.gz VDVBWSFLBMQMNG-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001038459567 849909156 /nfs/dbraw/zinc/90/91/56/849909156.db2.gz BBFBPRHQRNVQIW-GFCCVEGCSA-N 1 2 289.335 0.536 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001038459567 849909160 /nfs/dbraw/zinc/90/91/60/849909160.db2.gz BBFBPRHQRNVQIW-GFCCVEGCSA-N 1 2 289.335 0.536 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)ccc1=O ZINC001038500282 849923603 /nfs/dbraw/zinc/92/36/03/849923603.db2.gz KPCNAEBYNBCALW-LLVKDONJSA-N 1 2 261.325 0.375 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)ccc1=O ZINC001038500282 849923596 /nfs/dbraw/zinc/92/35/96/849923596.db2.gz KPCNAEBYNBCALW-LLVKDONJSA-N 1 2 261.325 0.375 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001038551276 849940416 /nfs/dbraw/zinc/94/04/16/849940416.db2.gz WWRGIPGPSYTEQP-GFCCVEGCSA-N 1 2 299.334 0.512 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001038551276 849940423 /nfs/dbraw/zinc/94/04/23/849940423.db2.gz WWRGIPGPSYTEQP-GFCCVEGCSA-N 1 2 299.334 0.512 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038683006 849980358 /nfs/dbraw/zinc/98/03/58/849980358.db2.gz GVQNESGVRZMDEO-MRVPVSSYSA-N 1 2 268.267 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038683006 849980369 /nfs/dbraw/zinc/98/03/69/849980369.db2.gz GVQNESGVRZMDEO-MRVPVSSYSA-N 1 2 268.267 0.785 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038694823 849984157 /nfs/dbraw/zinc/98/41/57/849984157.db2.gz WEDGLXMZDNNEJW-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001038694823 849984163 /nfs/dbraw/zinc/98/41/63/849984163.db2.gz WEDGLXMZDNNEJW-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001038857931 850052571 /nfs/dbraw/zinc/05/25/71/850052571.db2.gz AIQHYNQECJAIRJ-RYUDHWBXSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001038857931 850052580 /nfs/dbraw/zinc/05/25/80/850052580.db2.gz AIQHYNQECJAIRJ-RYUDHWBXSA-N 1 2 286.379 0.972 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001038872031 850060998 /nfs/dbraw/zinc/06/09/98/850060998.db2.gz KLTXDSAXULHRPA-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001038872031 850061005 /nfs/dbraw/zinc/06/10/05/850061005.db2.gz KLTXDSAXULHRPA-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001038940186 850096281 /nfs/dbraw/zinc/09/62/81/850096281.db2.gz WPEOQCZPIREBRS-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001038940186 850096290 /nfs/dbraw/zinc/09/62/90/850096290.db2.gz WPEOQCZPIREBRS-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001039027980 850126941 /nfs/dbraw/zinc/12/69/41/850126941.db2.gz GTTYFOASYHAPMA-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001039027980 850126946 /nfs/dbraw/zinc/12/69/46/850126946.db2.gz GTTYFOASYHAPMA-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001039045994 850136428 /nfs/dbraw/zinc/13/64/28/850136428.db2.gz VDHIFECUQRUHGH-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001039045994 850136430 /nfs/dbraw/zinc/13/64/30/850136430.db2.gz VDHIFECUQRUHGH-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1ccnn1 ZINC001039083574 850150588 /nfs/dbraw/zinc/15/05/88/850150588.db2.gz CHUQAUXOERCYIH-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1ccnn1 ZINC001039083574 850150595 /nfs/dbraw/zinc/15/05/95/850150595.db2.gz CHUQAUXOERCYIH-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCCO)C1 ZINC001042614511 850711969 /nfs/dbraw/zinc/71/19/69/850711969.db2.gz QZKQVXWBWXBIHI-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001042687056 850734711 /nfs/dbraw/zinc/73/47/11/850734711.db2.gz DSJFGJDHCLGIAX-UHFFFAOYSA-N 1 2 262.313 0.086 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cccc(C)c2=O)C1 ZINC001042717376 850742555 /nfs/dbraw/zinc/74/25/55/850742555.db2.gz NSBVDKPSFCLWKD-UHFFFAOYSA-N 1 2 275.352 0.485 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3c(n2)CCC3)C1 ZINC001042744280 850749808 /nfs/dbraw/zinc/74/98/08/850749808.db2.gz TVIRJMNYTAZZRN-UHFFFAOYSA-N 1 2 272.352 0.609 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@@H]2OC)C1 ZINC001042891680 850774384 /nfs/dbraw/zinc/77/43/84/850774384.db2.gz FOUDPCUHYLJNLF-OCCSQVGLSA-N 1 2 282.384 0.757 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n2CCOC3)C1 ZINC001042983200 850793275 /nfs/dbraw/zinc/79/32/75/850793275.db2.gz NGEYHKYEFGHDIR-UHFFFAOYSA-N 1 2 288.351 0.193 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001043188374 850830668 /nfs/dbraw/zinc/83/06/68/850830668.db2.gz MHJFYGNNBGLZLA-UHFFFAOYSA-N 1 2 279.384 0.607 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001043347686 850857497 /nfs/dbraw/zinc/85/74/97/850857497.db2.gz MBAYGHMRAJDONA-UHFFFAOYSA-N 1 2 291.351 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001043469274 850878089 /nfs/dbraw/zinc/87/80/89/850878089.db2.gz IELFWWXFXPAVJI-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945624 850895968 /nfs/dbraw/zinc/89/59/68/850895968.db2.gz AGIBQMPPPTUWOC-RCWTZXSCSA-N 1 2 298.774 0.142 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945624 850895973 /nfs/dbraw/zinc/89/59/73/850895973.db2.gz AGIBQMPPPTUWOC-RCWTZXSCSA-N 1 2 298.774 0.142 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001043911862 850962489 /nfs/dbraw/zinc/96/24/89/850962489.db2.gz AWXIFQAZSVBWNP-CHWSQXEVSA-N 1 2 272.352 0.299 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001044155011 851024406 /nfs/dbraw/zinc/02/44/06/851024406.db2.gz AOZNLEHJUKBVIB-OCCSQVGLSA-N 1 2 250.342 0.742 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)cn1 ZINC001044205840 851042144 /nfs/dbraw/zinc/04/21/44/851042144.db2.gz KSMIMIIFFOWZEJ-LLVKDONJSA-N 1 2 273.336 0.200 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001044245143 851054009 /nfs/dbraw/zinc/05/40/09/851054009.db2.gz XOBFSGSUHAZJDQ-LBPRGKRZSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001044278830 851060543 /nfs/dbraw/zinc/06/05/43/851060543.db2.gz CTXJJDZEHBVBTB-UHFFFAOYSA-N 1 2 280.372 0.106 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876688 851172362 /nfs/dbraw/zinc/17/23/62/851172362.db2.gz BQVOCJWQXZOZLH-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876689 851172455 /nfs/dbraw/zinc/17/24/55/851172455.db2.gz BQVOCJWQXZOZLH-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO CCCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001045996281 851344895 /nfs/dbraw/zinc/34/48/95/851344895.db2.gz CORJPNVAJWXJTM-ZDUSSCGKSA-N 1 2 264.373 0.529 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046051519 851358085 /nfs/dbraw/zinc/35/80/85/851358085.db2.gz JJCRBHUMEVUTRA-CQSZACIVSA-N 1 2 290.411 0.941 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046053123 851359677 /nfs/dbraw/zinc/35/96/77/851359677.db2.gz RVTRAPZANGAPOI-MJBXVCDLSA-N 1 2 276.384 0.384 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN(CC#N)C1 ZINC001046429268 851499864 /nfs/dbraw/zinc/49/98/64/851499864.db2.gz RCAAQZNGASGQAT-WFASDCNBSA-N 1 2 287.367 0.550 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)CSCC#N)C2)cc[nH+]1 ZINC001096328749 851928702 /nfs/dbraw/zinc/92/87/02/851928702.db2.gz IAQNCDCPFAZHRB-LLVKDONJSA-N 1 2 291.380 0.737 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001096338100 851936711 /nfs/dbraw/zinc/93/67/11/851936711.db2.gz IMINAPOMHURJNP-MWLCHTKSSA-N 1 2 259.313 0.640 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnon1 ZINC001049371637 852247352 /nfs/dbraw/zinc/24/73/52/852247352.db2.gz GUWXFHUQXYAHCP-KGYLQXTDSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnon1 ZINC001049371637 852247359 /nfs/dbraw/zinc/24/73/59/852247359.db2.gz GUWXFHUQXYAHCP-KGYLQXTDSA-N 1 2 289.339 0.795 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001097053535 852495054 /nfs/dbraw/zinc/49/50/54/852495054.db2.gz VUMXNWYEDDGGAP-UPJWGTAASA-N 1 2 287.367 0.400 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1n[nH]c(C)n1)C2 ZINC001097053535 852495058 /nfs/dbraw/zinc/49/50/58/852495058.db2.gz VUMXNWYEDDGGAP-UPJWGTAASA-N 1 2 287.367 0.400 20 30 CCEDLO CC[C@H](C[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2)OC ZINC001053190808 852706861 /nfs/dbraw/zinc/70/68/61/852706861.db2.gz GFFIZYZTRLLZEJ-CHWSQXEVSA-N 1 2 295.383 0.484 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1C)CCO2 ZINC001053249707 852719223 /nfs/dbraw/zinc/71/92/23/852719223.db2.gz ZRPXBHWOYCJPHN-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=C(C)CN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001053548953 852755371 /nfs/dbraw/zinc/75/53/71/852755371.db2.gz NIDDQSMRIQEKTM-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCO1)CO2 ZINC001053729894 852792623 /nfs/dbraw/zinc/79/26/23/852792623.db2.gz VBRFLCGGWHXHIR-QWHCGFSZSA-N 1 2 278.352 0.148 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)C)CO2 ZINC001053745518 852799830 /nfs/dbraw/zinc/79/98/30/852799830.db2.gz LICFGBKSAGLBFW-LBPRGKRZSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1C)CO2 ZINC001053756140 852806781 /nfs/dbraw/zinc/80/67/81/852806781.db2.gz PNJSKIPDIYAIPM-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnco1)CO2 ZINC001053885698 852838071 /nfs/dbraw/zinc/83/80/71/852838071.db2.gz ULXFINFGEPXOBT-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cnoc1)CO2 ZINC001053902557 852843874 /nfs/dbraw/zinc/84/38/74/852843874.db2.gz DINDPIOKTIGPGL-ZDUSSCGKSA-N 1 2 289.335 0.200 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]cc1F)CO2 ZINC001053919292 852847210 /nfs/dbraw/zinc/84/72/10/852847210.db2.gz INQIXWYHBLGKGB-JTQLQIEISA-N 1 2 292.314 0.145 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ncn[nH]1)C2 ZINC001054226261 852897691 /nfs/dbraw/zinc/89/76/91/852897691.db2.gz LUWDRCAOMIXMMR-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ncn[nH]1)C2 ZINC001054226261 852897694 /nfs/dbraw/zinc/89/76/94/852897694.db2.gz LUWDRCAOMIXMMR-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NCC#N)C2)c[nH+]1 ZINC001054794956 853016330 /nfs/dbraw/zinc/01/63/30/853016330.db2.gz SEMBARZDYRGMPJ-DGCLKSJQSA-N 1 2 289.383 0.887 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879468 853472461 /nfs/dbraw/zinc/47/24/61/853472461.db2.gz BSSYHRZKYOQGHC-CQSZACIVSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879468 853472472 /nfs/dbraw/zinc/47/24/72/853472472.db2.gz BSSYHRZKYOQGHC-CQSZACIVSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC001050887460 853476118 /nfs/dbraw/zinc/47/61/18/853476118.db2.gz FLMCQUSRXYSQLS-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncnc1 ZINC001050887460 853476126 /nfs/dbraw/zinc/47/61/26/853476126.db2.gz FLMCQUSRXYSQLS-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051091069 853522193 /nfs/dbraw/zinc/52/21/93/853522193.db2.gz AFQNKKYIEGWORM-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001051091069 853522203 /nfs/dbraw/zinc/52/22/03/853522203.db2.gz AFQNKKYIEGWORM-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C#CC[N@H+]1CCc2c(CNC(=O)c3cnn[nH]3)cccc2C1 ZINC001051291907 853559562 /nfs/dbraw/zinc/55/95/62/853559562.db2.gz FVKXPMIBGHKXHO-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO C#CC[N@@H+]1CCc2c(CNC(=O)c3cnn[nH]3)cccc2C1 ZINC001051291907 853559568 /nfs/dbraw/zinc/55/95/68/853559568.db2.gz FVKXPMIBGHKXHO-UHFFFAOYSA-N 1 2 295.346 0.726 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)CC1 ZINC001052088473 853682017 /nfs/dbraw/zinc/68/20/17/853682017.db2.gz JHVIIENDGLXYQX-GJZGRUSLSA-N 1 2 287.407 0.638 20 30 CCEDLO N#Cc1cccnc1N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058423082 853843346 /nfs/dbraw/zinc/84/33/46/853843346.db2.gz WWIBBZRIJRGFCS-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001071509193 854225954 /nfs/dbraw/zinc/22/59/54/854225954.db2.gz ZJQBGUOTAQDEIM-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001071509193 854225957 /nfs/dbraw/zinc/22/59/57/854225957.db2.gz ZJQBGUOTAQDEIM-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH]ncc43)C2)C1 ZINC001072735606 854455137 /nfs/dbraw/zinc/45/51/37/854455137.db2.gz JERMPRWJATULRI-CYBMUJFWSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH]ncc43)C2)C1 ZINC001072735606 854455147 /nfs/dbraw/zinc/45/51/47/854455147.db2.gz JERMPRWJATULRI-CYBMUJFWSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)c3ccc4[nH]nnc4c3)C2)C1 ZINC001073420303 854555395 /nfs/dbraw/zinc/55/53/95/854555395.db2.gz WLIBRDBUCPVENF-UHFFFAOYSA-N 1 2 295.346 0.739 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH]nnc4c3)C2)C1 ZINC001073420303 854555399 /nfs/dbraw/zinc/55/53/99/854555399.db2.gz WLIBRDBUCPVENF-UHFFFAOYSA-N 1 2 295.346 0.739 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074693429 854767700 /nfs/dbraw/zinc/76/77/00/854767700.db2.gz ZQYOLEVQNHBFSV-QCNOEVLYSA-N 1 2 273.340 0.616 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074693429 854767703 /nfs/dbraw/zinc/76/77/03/854767703.db2.gz ZQYOLEVQNHBFSV-QCNOEVLYSA-N 1 2 273.340 0.616 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001074717277 854770427 /nfs/dbraw/zinc/77/04/27/854770427.db2.gz HXYNNFQHVBIPRY-OBJOEFQTSA-N 1 2 287.367 0.548 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001099713136 854974711 /nfs/dbraw/zinc/97/47/11/854974711.db2.gz LZPGKNXYIYYTIU-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099828964 855005795 /nfs/dbraw/zinc/00/57/95/855005795.db2.gz BHBNQNNZYLZHMR-NEPJUHHUSA-N 1 2 270.348 0.557 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099828964 855005799 /nfs/dbraw/zinc/00/57/99/855005799.db2.gz BHBNQNNZYLZHMR-NEPJUHHUSA-N 1 2 270.348 0.557 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001100589511 855194009 /nfs/dbraw/zinc/19/40/09/855194009.db2.gz BHGMJLDDGMIFQH-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC(NCC#N)C1 ZINC001100746015 855217450 /nfs/dbraw/zinc/21/74/50/855217450.db2.gz CQVZEFVPIQOECW-VOMCLLRMSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC(NCC#N)C1 ZINC001100746015 855217457 /nfs/dbraw/zinc/21/74/57/855217457.db2.gz CQVZEFVPIQOECW-VOMCLLRMSA-N 1 2 275.356 0.596 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)OC)c1nccn12 ZINC001101612184 855325357 /nfs/dbraw/zinc/32/53/57/855325357.db2.gz RFKHZXVPEDDTCJ-NEPJUHHUSA-N 1 2 290.367 0.676 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001101889331 855385539 /nfs/dbraw/zinc/38/55/39/855385539.db2.gz XREYYDRBSGEVMU-UHFFFAOYSA-N 1 2 298.350 0.532 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C ZINC001102532179 855444089 /nfs/dbraw/zinc/44/40/89/855444089.db2.gz YEBPHBSNFSOAPT-ZYHUDNBSSA-N 1 2 275.356 0.468 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1cncc(C#N)n1 ZINC001104002681 855560248 /nfs/dbraw/zinc/56/02/48/855560248.db2.gz XXJKPFFFBNMZLH-LLVKDONJSA-N 1 2 299.338 0.409 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC001116850067 855846938 /nfs/dbraw/zinc/84/69/38/855846938.db2.gz FHXUVIONIOPDTN-YNEHKIRRSA-N 1 2 251.330 0.516 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC001116850067 855846946 /nfs/dbraw/zinc/84/69/46/855846946.db2.gz FHXUVIONIOPDTN-YNEHKIRRSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC001118195815 856195653 /nfs/dbraw/zinc/19/56/53/856195653.db2.gz SAJVQIPCXLIWMY-UHFFFAOYSA-N 1 2 259.313 0.586 20 30 CCEDLO N#Cc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC001118794542 856446127 /nfs/dbraw/zinc/44/61/27/856446127.db2.gz ZHFJCMINJCWHJN-LBPRGKRZSA-N 1 2 267.292 0.953 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccsc2)C1 ZINC001119472505 856697976 /nfs/dbraw/zinc/69/79/76/856697976.db2.gz SVTVULURXAQMPR-NSHDSACASA-N 1 2 291.376 0.900 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccsc2)C1 ZINC001119472505 856697981 /nfs/dbraw/zinc/69/79/81/856697981.db2.gz SVTVULURXAQMPR-NSHDSACASA-N 1 2 291.376 0.900 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001119980001 856945698 /nfs/dbraw/zinc/94/56/98/856945698.db2.gz SJFUUIRAKQJBSR-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001323293369 912250202 /nfs/dbraw/zinc/25/02/02/912250202.db2.gz LWDBTRJBAFEPIK-WDEREUQCSA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001323293369 912250223 /nfs/dbraw/zinc/25/02/23/912250223.db2.gz LWDBTRJBAFEPIK-WDEREUQCSA-N 1 2 296.371 0.117 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323372394 912300320 /nfs/dbraw/zinc/30/03/20/912300320.db2.gz VUGKRPIHLGTZJB-CQSZACIVSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323372394 912300334 /nfs/dbraw/zinc/30/03/34/912300334.db2.gz VUGKRPIHLGTZJB-CQSZACIVSA-N 1 2 280.368 0.419 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](COC)OC)C1 ZINC001393114064 912403927 /nfs/dbraw/zinc/40/39/27/912403927.db2.gz LLEYGIOQEPLFIY-WCQYABFASA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](COC)OC)C1 ZINC001393114064 912403937 /nfs/dbraw/zinc/40/39/37/912403937.db2.gz LLEYGIOQEPLFIY-WCQYABFASA-N 1 2 290.791 0.981 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001323897098 912567846 /nfs/dbraw/zinc/56/78/46/912567846.db2.gz XTSJWPBNXXGVPZ-LBPRGKRZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCC1(C(=O)N(C)C2C[NH+](CCOCCO)C2)CCC1 ZINC001323979916 912609437 /nfs/dbraw/zinc/60/94/37/912609437.db2.gz SEMIEJHXFHLKDI-UHFFFAOYSA-N 1 2 296.411 0.884 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001324774611 913030527 /nfs/dbraw/zinc/03/05/27/913030527.db2.gz VWJYGZUOVLCNSB-UHFFFAOYSA-N 1 2 279.384 0.575 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001325201984 913276701 /nfs/dbraw/zinc/27/67/01/913276701.db2.gz SFRCYWFXYBUXAD-WAYWQWQTSA-N 1 2 275.352 0.767 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001325263030 913304420 /nfs/dbraw/zinc/30/44/20/913304420.db2.gz FAMJDZZWMUDNAT-CYBMUJFWSA-N 1 2 282.384 0.378 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001325274043 913311420 /nfs/dbraw/zinc/31/14/20/913311420.db2.gz NTUJOKUVYGHSSV-GFCCVEGCSA-N 1 2 282.384 0.541 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)CC(=O)NCC(C)(C)C ZINC001480861479 891404004 /nfs/dbraw/zinc/40/40/04/891404004.db2.gz HBIZZZBOSDHWPQ-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC001480861479 891404013 /nfs/dbraw/zinc/40/40/13/891404013.db2.gz HBIZZZBOSDHWPQ-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CC(=C)Cl ZINC001480862912 891406232 /nfs/dbraw/zinc/40/62/32/891406232.db2.gz HUROJSQIOLDVBE-NSHDSACASA-N 1 2 258.749 0.825 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001480862912 891406238 /nfs/dbraw/zinc/40/62/38/891406238.db2.gz HUROJSQIOLDVBE-NSHDSACASA-N 1 2 258.749 0.825 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001480884071 891551753 /nfs/dbraw/zinc/55/17/53/891551753.db2.gz OTCOXLPAZHVLDW-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001480884071 891551746 /nfs/dbraw/zinc/55/17/46/891551746.db2.gz OTCOXLPAZHVLDW-JTQLQIEISA-N 1 2 273.764 0.313 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001347472938 891568454 /nfs/dbraw/zinc/56/84/54/891568454.db2.gz NLCORULJMMKHOL-AWEZNQCLSA-N 1 2 269.389 0.066 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC(=O)NCC ZINC001480971470 891996109 /nfs/dbraw/zinc/99/61/09/891996109.db2.gz SINNJFHPJJSAIE-UHFFFAOYSA-N 1 2 275.780 0.703 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC(=O)NCC ZINC001480971470 891996117 /nfs/dbraw/zinc/99/61/17/891996117.db2.gz SINNJFHPJJSAIE-UHFFFAOYSA-N 1 2 275.780 0.703 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COCCOC ZINC001481032075 892093331 /nfs/dbraw/zinc/09/33/31/892093331.db2.gz ISKRLXJNUXEPRI-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COCCOC ZINC001481032075 892093350 /nfs/dbraw/zinc/09/33/50/892093350.db2.gz ISKRLXJNUXEPRI-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=CCC1(C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CCC1 ZINC001481644019 892954861 /nfs/dbraw/zinc/95/48/61/892954861.db2.gz VIVCZAZGLFIRMQ-LLVKDONJSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001481668456 892984714 /nfs/dbraw/zinc/98/47/14/892984714.db2.gz JLKDHRUSDFHNNQ-UBDFWVFDSA-N 1 2 291.395 0.928 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001481668456 892984727 /nfs/dbraw/zinc/98/47/27/892984727.db2.gz JLKDHRUSDFHNNQ-UBDFWVFDSA-N 1 2 291.395 0.928 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC[C@@H]1CCCO1 ZINC001481684031 892996374 /nfs/dbraw/zinc/99/63/74/892996374.db2.gz IRDBOYUCCVCKID-KKUMJFAQSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC[C@@H]1CCCO1 ZINC001481684031 892996385 /nfs/dbraw/zinc/99/63/85/892996385.db2.gz IRDBOYUCCVCKID-KKUMJFAQSA-N 1 2 292.379 0.490 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481699142 893034730 /nfs/dbraw/zinc/03/47/30/893034730.db2.gz CKIJOBPKCGDUPI-CSXHZRMWSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481699142 893034750 /nfs/dbraw/zinc/03/47/50/893034750.db2.gz CKIJOBPKCGDUPI-CSXHZRMWSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001481705149 893047204 /nfs/dbraw/zinc/04/72/04/893047204.db2.gz CJFSXNLBPNSPGX-CYBMUJFWSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001481705149 893047216 /nfs/dbraw/zinc/04/72/16/893047216.db2.gz CJFSXNLBPNSPGX-CYBMUJFWSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001481710961 893065499 /nfs/dbraw/zinc/06/54/99/893065499.db2.gz XHHVSCHAGCEGIJ-VIFPVBQESA-N 1 2 275.299 0.086 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001481710961 893065517 /nfs/dbraw/zinc/06/55/17/893065517.db2.gz XHHVSCHAGCEGIJ-VIFPVBQESA-N 1 2 275.299 0.086 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001481843544 893207164 /nfs/dbraw/zinc/20/71/64/893207164.db2.gz OINQUJLRVUIPBW-LBPRGKRZSA-N 1 2 292.387 0.388 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001493498654 893440403 /nfs/dbraw/zinc/44/04/03/893440403.db2.gz CZLLFWHICXMOHW-SNVBAGLBSA-N 1 2 279.344 0.901 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)o1 ZINC001482266226 893710395 /nfs/dbraw/zinc/71/03/95/893710395.db2.gz LZHNQEMNONVSDI-RKDXNWHRSA-N 1 2 265.317 0.474 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001326194555 913813195 /nfs/dbraw/zinc/81/31/95/913813195.db2.gz OKLUUOSXUMERCG-NSHDSACASA-N 1 2 286.339 0.539 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001483367722 895505601 /nfs/dbraw/zinc/50/56/01/895505601.db2.gz LELXYQFOSPHYBU-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001483367722 895505614 /nfs/dbraw/zinc/50/56/14/895505614.db2.gz LELXYQFOSPHYBU-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001483640047 895775639 /nfs/dbraw/zinc/77/56/39/895775639.db2.gz MZTOBPXAYPPXSO-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001483640047 895775647 /nfs/dbraw/zinc/77/56/47/895775647.db2.gz MZTOBPXAYPPXSO-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001483641308 895778498 /nfs/dbraw/zinc/77/84/98/895778498.db2.gz ODAAMBGBCCQPRN-BLJGWETHSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001483641308 895778523 /nfs/dbraw/zinc/77/85/23/895778523.db2.gz ODAAMBGBCCQPRN-BLJGWETHSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001483704379 895883031 /nfs/dbraw/zinc/88/30/31/895883031.db2.gz BDXVAZIMUXDHDY-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001483704379 895883044 /nfs/dbraw/zinc/88/30/44/895883044.db2.gz BDXVAZIMUXDHDY-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001483861841 896088850 /nfs/dbraw/zinc/08/88/50/896088850.db2.gz WLZRSCBZOHAYIF-LLVKDONJSA-N 1 2 274.311 0.987 20 30 CCEDLO C#CCCCC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001484269882 896307924 /nfs/dbraw/zinc/30/79/24/896307924.db2.gz IJRKRPUCTDGEGG-UHFFFAOYSA-N 1 2 250.342 0.529 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001484302727 896332222 /nfs/dbraw/zinc/33/22/22/896332222.db2.gz KVPRTKDHGJQYAS-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cn3ccccc3n2)C1 ZINC001484308746 896337483 /nfs/dbraw/zinc/33/74/83/896337483.db2.gz ZFWPGYXVGXYLRB-UHFFFAOYSA-N 1 2 298.346 0.134 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001326627754 914062108 /nfs/dbraw/zinc/06/21/08/914062108.db2.gz NYURRLWKXGMZAG-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001326627754 914062125 /nfs/dbraw/zinc/06/21/25/914062125.db2.gz NYURRLWKXGMZAG-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CSCC#N ZINC001484587436 896482139 /nfs/dbraw/zinc/48/21/39/896482139.db2.gz NZVJYHSWJIHHMK-LBPRGKRZSA-N 1 2 285.413 0.860 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)CSCC#N ZINC001484587436 896482154 /nfs/dbraw/zinc/48/21/54/896482154.db2.gz NZVJYHSWJIHHMK-LBPRGKRZSA-N 1 2 285.413 0.860 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC1(COC)CC1 ZINC001484591090 896485375 /nfs/dbraw/zinc/48/53/75/896485375.db2.gz FPVHRNVSZZHOBN-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC1(COC)CC1 ZINC001484591090 896485385 /nfs/dbraw/zinc/48/53/85/896485385.db2.gz FPVHRNVSZZHOBN-CQSZACIVSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CCCC(=O)NC1(CCO)CN(Cc2c[nH+]cn2C)C1 ZINC001485400338 897035205 /nfs/dbraw/zinc/03/52/05/897035205.db2.gz ZUGBRHOOTHJFBS-UHFFFAOYSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC001485520730 897104123 /nfs/dbraw/zinc/10/41/23/897104123.db2.gz RAEHGRDYFFNABP-LLVKDONJSA-N 1 2 291.399 0.964 20 30 CCEDLO N#CCNC[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001485687876 897184099 /nfs/dbraw/zinc/18/40/99/897184099.db2.gz QGVHQJRQFPKSKL-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001077742562 897393704 /nfs/dbraw/zinc/39/37/04/897393704.db2.gz HFJWACHWRFMANC-HUUCEWRRSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001077742562 897393721 /nfs/dbraw/zinc/39/37/21/897393721.db2.gz HFJWACHWRFMANC-HUUCEWRRSA-N 1 2 288.347 0.493 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001326769729 914154833 /nfs/dbraw/zinc/15/48/33/914154833.db2.gz UINGZSBTUPFYRT-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001326769729 914154843 /nfs/dbraw/zinc/15/48/43/914154843.db2.gz UINGZSBTUPFYRT-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001107903672 897474592 /nfs/dbraw/zinc/47/45/92/897474592.db2.gz WRRIBBFJZVQQFS-GJZGRUSLSA-N 1 2 282.384 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001107903672 897474604 /nfs/dbraw/zinc/47/46/04/897474604.db2.gz WRRIBBFJZVQQFS-GJZGRUSLSA-N 1 2 282.384 0.707 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCC)CC2 ZINC001127926193 897516641 /nfs/dbraw/zinc/51/66/41/897516641.db2.gz ZRGKDPQAZXWKRD-LBPRGKRZSA-N 1 2 289.383 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CC1 ZINC001032426561 897552236 /nfs/dbraw/zinc/55/22/36/897552236.db2.gz LCYBFMHUBUFJPO-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CC1 ZINC001032426561 897552251 /nfs/dbraw/zinc/55/22/51/897552251.db2.gz LCYBFMHUBUFJPO-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1Cl ZINC001032437532 897564867 /nfs/dbraw/zinc/56/48/67/897564867.db2.gz HOKQYJGVSHQWLD-UWVGGRQHSA-N 1 2 278.743 0.903 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1Cl ZINC001032437532 897564873 /nfs/dbraw/zinc/56/48/73/897564873.db2.gz HOKQYJGVSHQWLD-UWVGGRQHSA-N 1 2 278.743 0.903 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(C)n1 ZINC001032434584 897571345 /nfs/dbraw/zinc/57/13/45/897571345.db2.gz MXRURVADBFUOCS-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(C)n1 ZINC001032434584 897571355 /nfs/dbraw/zinc/57/13/55/897571355.db2.gz MXRURVADBFUOCS-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(C)nc1C ZINC001032449234 897580834 /nfs/dbraw/zinc/58/08/34/897580834.db2.gz CQCYKMCHKUJCTC-KBPBESRZSA-N 1 2 272.352 0.189 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(C)nc1C ZINC001032449234 897580847 /nfs/dbraw/zinc/58/08/47/897580847.db2.gz CQCYKMCHKUJCTC-KBPBESRZSA-N 1 2 272.352 0.189 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001032467890 897607604 /nfs/dbraw/zinc/60/76/04/897607604.db2.gz BCILUBIWTBKLBX-QWRGUYRKSA-N 1 2 274.324 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001032467890 897607613 /nfs/dbraw/zinc/60/76/13/897607613.db2.gz BCILUBIWTBKLBX-QWRGUYRKSA-N 1 2 274.324 0.340 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001032482452 897632532 /nfs/dbraw/zinc/63/25/32/897632532.db2.gz CSNOKIQYXFPPME-QEJZJMRPSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001032482452 897632548 /nfs/dbraw/zinc/63/25/48/897632548.db2.gz CSNOKIQYXFPPME-QEJZJMRPSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2O1 ZINC001032506352 897665757 /nfs/dbraw/zinc/66/57/57/897665757.db2.gz DAHLCZYITAIYNE-OFQRWUPVSA-N 1 2 282.343 0.908 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2O1 ZINC001032506352 897665777 /nfs/dbraw/zinc/66/57/77/897665777.db2.gz DAHLCZYITAIYNE-OFQRWUPVSA-N 1 2 282.343 0.908 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccnc2c1 ZINC001032516008 897683147 /nfs/dbraw/zinc/68/31/47/897683147.db2.gz AQJPTIZHAVGFJJ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccnc2c1 ZINC001032516008 897683150 /nfs/dbraw/zinc/68/31/50/897683150.db2.gz AQJPTIZHAVGFJJ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 ZINC001032537943 897719083 /nfs/dbraw/zinc/71/90/83/897719083.db2.gz IPRRHLLBBGBAQB-QWRGUYRKSA-N 1 2 275.308 0.463 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 ZINC001032537943 897719093 /nfs/dbraw/zinc/71/90/93/897719093.db2.gz IPRRHLLBBGBAQB-QWRGUYRKSA-N 1 2 275.308 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccnc1 ZINC001032620265 897836344 /nfs/dbraw/zinc/83/63/44/897836344.db2.gz ZETGMMVUTPRSNC-RDBSUJKOSA-N 1 2 285.347 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccnc1 ZINC001032620265 897836350 /nfs/dbraw/zinc/83/63/50/897836350.db2.gz ZETGMMVUTPRSNC-RDBSUJKOSA-N 1 2 285.347 0.767 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(F)F)c1 ZINC001032702820 897941022 /nfs/dbraw/zinc/94/10/22/897941022.db2.gz ZXEOAMRQKDLDST-QWRGUYRKSA-N 1 2 280.278 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(F)F)c1 ZINC001032702820 897941034 /nfs/dbraw/zinc/94/10/34/897941034.db2.gz ZXEOAMRQKDLDST-QWRGUYRKSA-N 1 2 280.278 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001032728578 898020363 /nfs/dbraw/zinc/02/03/63/898020363.db2.gz HHFUUGNRXGRZCJ-XBFCOCLRSA-N 1 2 284.363 0.433 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001032728578 898020381 /nfs/dbraw/zinc/02/03/81/898020381.db2.gz HHFUUGNRXGRZCJ-XBFCOCLRSA-N 1 2 284.363 0.433 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108012841 898112039 /nfs/dbraw/zinc/11/20/39/898112039.db2.gz FXYATPFYYLJNKR-XUJLQICISA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108012841 898112042 /nfs/dbraw/zinc/11/20/42/898112042.db2.gz FXYATPFYYLJNKR-XUJLQICISA-N 1 2 294.395 0.642 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C#N)[C@@H]2C1 ZINC001272886611 898124365 /nfs/dbraw/zinc/12/43/65/898124365.db2.gz PTDHMTXSRRJTFQ-REWJHTLYSA-N 1 2 293.367 0.299 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C#N)[C@@H]2C1 ZINC001272886611 898124375 /nfs/dbraw/zinc/12/43/75/898124375.db2.gz PTDHMTXSRRJTFQ-REWJHTLYSA-N 1 2 293.367 0.299 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001326845464 914224873 /nfs/dbraw/zinc/22/48/73/914224873.db2.gz IHXUFZXKDUZALW-CYBMUJFWSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)c[nH]1 ZINC001272907225 898153873 /nfs/dbraw/zinc/15/38/73/898153873.db2.gz CCJRFMQUBVUTPB-CHWSQXEVSA-N 1 2 272.352 0.917 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)c[nH]1 ZINC001272907225 898153878 /nfs/dbraw/zinc/15/38/78/898153878.db2.gz CCJRFMQUBVUTPB-CHWSQXEVSA-N 1 2 272.352 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001078072192 898217447 /nfs/dbraw/zinc/21/74/47/898217447.db2.gz GVWFRWKFRKNWLX-HUUCEWRRSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001078072192 898217461 /nfs/dbraw/zinc/21/74/61/898217461.db2.gz GVWFRWKFRKNWLX-HUUCEWRRSA-N 1 2 287.363 0.161 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001078078815 898220084 /nfs/dbraw/zinc/22/00/84/898220084.db2.gz PWXKZVKRDLPAND-ZIAGYGMSSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001078078815 898220102 /nfs/dbraw/zinc/22/01/02/898220102.db2.gz PWXKZVKRDLPAND-ZIAGYGMSSA-N 1 2 288.347 0.567 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001078102469 898237825 /nfs/dbraw/zinc/23/78/25/898237825.db2.gz NHYIWAWUPUNTEG-HZPDHXFCSA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001078102469 898237845 /nfs/dbraw/zinc/23/78/45/898237845.db2.gz NHYIWAWUPUNTEG-HZPDHXFCSA-N 1 2 299.374 0.757 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001078135074 898258529 /nfs/dbraw/zinc/25/85/29/898258529.db2.gz PMAOFTZGBMLIMI-NEPJUHHUSA-N 1 2 291.355 0.444 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001078235359 898306645 /nfs/dbraw/zinc/30/66/45/898306645.db2.gz OSYGQSAJLDSDRY-MMCPYJTDSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001078235359 898306651 /nfs/dbraw/zinc/30/66/51/898306651.db2.gz OSYGQSAJLDSDRY-MMCPYJTDSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001078235358 898307773 /nfs/dbraw/zinc/30/77/73/898307773.db2.gz OSYGQSAJLDSDRY-CLACGNGHSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001078235358 898307779 /nfs/dbraw/zinc/30/77/79/898307779.db2.gz OSYGQSAJLDSDRY-CLACGNGHSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cscn1 ZINC001032812808 898437179 /nfs/dbraw/zinc/43/71/79/898437179.db2.gz FMDPFMCVTKAJAN-STQMWFEESA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cscn1 ZINC001032812808 898437188 /nfs/dbraw/zinc/43/71/88/898437188.db2.gz FMDPFMCVTKAJAN-STQMWFEESA-N 1 2 275.377 0.994 20 30 CCEDLO C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)NCC#N ZINC001485929111 898520591 /nfs/dbraw/zinc/52/05/91/898520591.db2.gz QNGLVYKLVGDSIO-NEPJUHHUSA-N 1 2 263.345 0.794 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494840160 899842508 /nfs/dbraw/zinc/84/25/08/899842508.db2.gz SIGGMCZQSCCKQN-DOMZBBRYSA-N 1 2 297.399 0.233 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494840160 899842514 /nfs/dbraw/zinc/84/25/14/899842514.db2.gz SIGGMCZQSCCKQN-DOMZBBRYSA-N 1 2 297.399 0.233 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196838116 900056053 /nfs/dbraw/zinc/05/60/53/900056053.db2.gz AZPYPWFCYRPESX-ZDUSSCGKSA-N 1 2 279.384 0.588 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196838116 900056064 /nfs/dbraw/zinc/05/60/64/900056064.db2.gz AZPYPWFCYRPESX-ZDUSSCGKSA-N 1 2 279.384 0.588 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001488676048 900341879 /nfs/dbraw/zinc/34/18/79/900341879.db2.gz ZKKFVSSTNUBUCS-KBPBESRZSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001488676048 900341883 /nfs/dbraw/zinc/34/18/83/900341883.db2.gz ZKKFVSSTNUBUCS-KBPBESRZSA-N 1 2 299.390 0.960 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490437751 900630380 /nfs/dbraw/zinc/63/03/80/900630380.db2.gz ZFKWTEQVAMPXIF-KIWPFMIBSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490437751 900630385 /nfs/dbraw/zinc/63/03/85/900630385.db2.gz ZFKWTEQVAMPXIF-KIWPFMIBSA-N 1 2 292.383 0.563 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001490434402 900632219 /nfs/dbraw/zinc/63/22/19/900632219.db2.gz RGVOIDXTJBAFLT-XLVZXTRVSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001490434402 900632224 /nfs/dbraw/zinc/63/22/24/900632224.db2.gz RGVOIDXTJBAFLT-XLVZXTRVSA-N 1 2 279.384 0.835 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)c2cc[nH]c2C)CC1 ZINC001490486763 900636747 /nfs/dbraw/zinc/63/67/47/900636747.db2.gz KNOKWXUYVLKRSJ-UHFFFAOYSA-N 1 2 274.368 0.304 20 30 CCEDLO N#CC1(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CCC1 ZINC001412721446 901983437 /nfs/dbraw/zinc/98/34/37/901983437.db2.gz DVOMACSJFWMOMD-LBPRGKRZSA-N 1 2 291.351 0.576 20 30 CCEDLO N#CCCN1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001413043524 902519276 /nfs/dbraw/zinc/51/92/76/902519276.db2.gz ADICHNWYWVMOOG-CYBMUJFWSA-N 1 2 285.413 0.342 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1NCC#N ZINC001054895648 903073025 /nfs/dbraw/zinc/07/30/25/903073025.db2.gz IWOMAIXZQRPWHO-NEPJUHHUSA-N 1 2 283.335 0.908 20 30 CCEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1NCC#N ZINC001054895650 903073497 /nfs/dbraw/zinc/07/34/97/903073497.db2.gz IWOMAIXZQRPWHO-RYUDHWBXSA-N 1 2 283.335 0.908 20 30 CCEDLO C=CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001331952299 904034093 /nfs/dbraw/zinc/03/40/93/904034093.db2.gz XKUBPRHPXGSCBT-STQMWFEESA-N 1 2 268.357 0.859 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001327812282 914780702 /nfs/dbraw/zinc/78/07/02/914780702.db2.gz UFAZEDBIHQOOFA-JCGVRSQUSA-N 1 2 269.414 0.675 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001316600412 904111030 /nfs/dbraw/zinc/11/10/30/904111030.db2.gz KDUJUPRGPFIBKP-NSHDSACASA-N 1 2 294.380 0.334 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001316600412 904111038 /nfs/dbraw/zinc/11/10/38/904111038.db2.gz KDUJUPRGPFIBKP-NSHDSACASA-N 1 2 294.380 0.334 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001398693825 914786534 /nfs/dbraw/zinc/78/65/34/914786534.db2.gz XJRJTNRNSFLJNX-MNOVXSKESA-N 1 2 277.328 0.557 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001398693825 914786554 /nfs/dbraw/zinc/78/65/54/914786554.db2.gz XJRJTNRNSFLJNX-MNOVXSKESA-N 1 2 277.328 0.557 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](OC)C(C)C)CO2 ZINC001280969596 904186335 /nfs/dbraw/zinc/18/63/35/904186335.db2.gz QRTSZNGRGCFRCN-UONOGXRCSA-N 1 2 294.395 0.640 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001281020108 904198788 /nfs/dbraw/zinc/19/87/88/904198788.db2.gz OZFWSFLBYLOAIW-LBPRGKRZSA-N 1 2 294.355 0.049 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001398699757 914792259 /nfs/dbraw/zinc/79/22/59/914792259.db2.gz WQDIVKRGHSPIKS-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)NCC#N ZINC001282156711 904425410 /nfs/dbraw/zinc/42/54/10/904425410.db2.gz PNSLGECIWUPJPQ-WDEREUQCSA-N 1 2 271.324 0.954 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001282403918 904470978 /nfs/dbraw/zinc/47/09/78/904470978.db2.gz YWDRGAYIGNBAFY-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001282403918 904470986 /nfs/dbraw/zinc/47/09/86/904470986.db2.gz YWDRGAYIGNBAFY-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)/C(C)=C/CC)C1 ZINC001282508589 904496817 /nfs/dbraw/zinc/49/68/17/904496817.db2.gz CVGAHIBACHAHTB-NTUHNPAUSA-N 1 2 264.369 0.919 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cc[nH]c2)C1 ZINC001282518437 904498881 /nfs/dbraw/zinc/49/88/81/904498881.db2.gz QRCVNBQWHRWMRW-UHFFFAOYSA-N 1 2 263.341 0.757 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)Cn2cncc2C)C1 ZINC001282724319 904530792 /nfs/dbraw/zinc/53/07/92/904530792.db2.gz GTUAUHBEOIUANW-CYBMUJFWSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001377333107 904791463 /nfs/dbraw/zinc/79/14/63/904791463.db2.gz DLJJZKWDCWHHRS-MNOVXSKESA-N 1 2 287.791 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001377333107 904791472 /nfs/dbraw/zinc/79/14/72/904791472.db2.gz DLJJZKWDCWHHRS-MNOVXSKESA-N 1 2 287.791 0.689 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001283744249 904986824 /nfs/dbraw/zinc/98/68/24/904986824.db2.gz FARRPKRCPVVKTP-KOLCDFICSA-N 1 2 281.360 0.207 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 ZINC001377553534 904988962 /nfs/dbraw/zinc/98/89/62/904988962.db2.gz VHCFDJAZWRDVNC-SNVBAGLBSA-N 1 2 285.775 0.842 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001284227536 905208697 /nfs/dbraw/zinc/20/86/97/905208697.db2.gz MMTAGKYKCOCLMA-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC2CCCC2)C1 ZINC001377960839 905277663 /nfs/dbraw/zinc/27/76/63/905277663.db2.gz OTCLNNWBOIWJNT-LLVKDONJSA-N 1 2 292.383 0.253 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001284417766 905284288 /nfs/dbraw/zinc/28/42/88/905284288.db2.gz PVFDQUUWCBMEIM-RKDXNWHRSA-N 1 2 286.269 0.872 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001284417766 905284307 /nfs/dbraw/zinc/28/43/07/905284307.db2.gz PVFDQUUWCBMEIM-RKDXNWHRSA-N 1 2 286.269 0.872 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001284529435 905361644 /nfs/dbraw/zinc/36/16/44/905361644.db2.gz ILNMRQUIXGJQTR-CYBMUJFWSA-N 1 2 292.383 0.064 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001284529435 905361662 /nfs/dbraw/zinc/36/16/62/905361662.db2.gz ILNMRQUIXGJQTR-CYBMUJFWSA-N 1 2 292.383 0.064 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCOCC[NH2+]Cc1csnn1 ZINC001284854381 905444996 /nfs/dbraw/zinc/44/49/96/905444996.db2.gz GVMQJRHYYPWFIN-JTQLQIEISA-N 1 2 297.384 0.262 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001378536922 905667437 /nfs/dbraw/zinc/66/74/37/905667437.db2.gz GQQUVYPYKVXNRQ-YGRLFVJLSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CCCC(=O)N(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001294354232 906584914 /nfs/dbraw/zinc/58/49/14/906584914.db2.gz LSCXLPCAOXBPEL-UHFFFAOYSA-N 1 2 278.356 0.883 20 30 CCEDLO N#CC1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC001337542565 921268212 /nfs/dbraw/zinc/26/82/12/921268212.db2.gz GVHIHJVCMLCQDO-OWOJBTEDSA-N 1 2 293.367 0.311 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001381537018 907275120 /nfs/dbraw/zinc/27/51/20/907275120.db2.gz YFXKRYUOGDXOQG-MNOVXSKESA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001381537018 907275133 /nfs/dbraw/zinc/27/51/33/907275133.db2.gz YFXKRYUOGDXOQG-MNOVXSKESA-N 1 2 287.791 0.654 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001298763215 907324752 /nfs/dbraw/zinc/32/47/52/907324752.db2.gz GBDOOQYVSHDFPI-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001382056140 907516036 /nfs/dbraw/zinc/51/60/36/907516036.db2.gz JFNZROLQADGWEE-UWVGGRQHSA-N 1 2 294.359 0.232 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001492193162 907745719 /nfs/dbraw/zinc/74/57/19/907745719.db2.gz CSMPZNXAIIPLMH-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)(C)C ZINC001492193162 907745726 /nfs/dbraw/zinc/74/57/26/907745726.db2.gz CSMPZNXAIIPLMH-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001337974526 908192434 /nfs/dbraw/zinc/19/24/34/908192434.db2.gz DQGLMJMSUHACRH-SMDDNHRTSA-N 1 2 277.372 0.186 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001337974526 908192445 /nfs/dbraw/zinc/19/24/45/908192445.db2.gz DQGLMJMSUHACRH-SMDDNHRTSA-N 1 2 277.372 0.186 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001317456782 908249333 /nfs/dbraw/zinc/24/93/33/908249333.db2.gz OFCUZAUCCFKFQQ-HNNXBMFYSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001317456782 908249350 /nfs/dbraw/zinc/24/93/50/908249350.db2.gz OFCUZAUCCFKFQQ-HNNXBMFYSA-N 1 2 277.368 0.140 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001307782016 908343130 /nfs/dbraw/zinc/34/31/30/908343130.db2.gz UNHBTWMHQLULLA-NEPJUHHUSA-N 1 2 274.324 0.846 20 30 CCEDLO COCC#CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001328559725 908689150 /nfs/dbraw/zinc/68/91/50/908689150.db2.gz UCKITXLEVORFOQ-OLZOCXBDSA-N 1 2 261.325 0.942 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001316820776 908786676 /nfs/dbraw/zinc/78/66/76/908786676.db2.gz GOGHVXCIUXZYFG-AWEZNQCLSA-N 1 2 295.387 0.080 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001316820776 908786682 /nfs/dbraw/zinc/78/66/82/908786682.db2.gz GOGHVXCIUXZYFG-AWEZNQCLSA-N 1 2 295.387 0.080 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316941609 908857792 /nfs/dbraw/zinc/85/77/92/908857792.db2.gz SHDFRSFHLAFQKM-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316941609 908857816 /nfs/dbraw/zinc/85/78/16/908857816.db2.gz SHDFRSFHLAFQKM-QWHCGFSZSA-N 1 2 293.411 0.915 20 30 CCEDLO N#CCN[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317017127 908921467 /nfs/dbraw/zinc/92/14/67/908921467.db2.gz ASYOTBFGKXTTEH-GXTWGEPZSA-N 1 2 287.367 0.453 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001338424391 921463196 /nfs/dbraw/zinc/46/31/96/921463196.db2.gz UCLBCGPLBMCBSA-AXFHLTTASA-N 1 2 263.345 0.011 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001338424391 921463199 /nfs/dbraw/zinc/46/31/99/921463199.db2.gz UCLBCGPLBMCBSA-AXFHLTTASA-N 1 2 263.345 0.011 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001317465826 909244040 /nfs/dbraw/zinc/24/40/40/909244040.db2.gz GGVPHWQHVYUQTR-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001317465826 909244055 /nfs/dbraw/zinc/24/40/55/909244055.db2.gz GGVPHWQHVYUQTR-QWHCGFSZSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CC[NH2+][C@H](CNC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC001317716190 909477020 /nfs/dbraw/zinc/47/70/20/909477020.db2.gz XYPAKHSKXQDUCL-CQSZACIVSA-N 1 2 297.362 0.818 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC1C[NH+](CCCOC(C)C)C1 ZINC001318025630 909586616 /nfs/dbraw/zinc/58/66/16/909586616.db2.gz YLAUKPCVBPWNEX-ZDUSSCGKSA-N 1 2 282.384 0.640 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCC[C@H](C)O)C2)c1 ZINC001318061076 909604440 /nfs/dbraw/zinc/60/44/40/909604440.db2.gz NGRPNUPBPQMALF-LBPRGKRZSA-N 1 2 287.363 0.638 20 30 CCEDLO COCC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001318098130 909619062 /nfs/dbraw/zinc/61/90/62/909619062.db2.gz LKDKSDWEYWFHIJ-UHFFFAOYSA-N 1 2 290.338 0.872 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001318107810 909624251 /nfs/dbraw/zinc/62/42/51/909624251.db2.gz PRAZOUWSTWLMOH-UHFFFAOYSA-N 1 2 290.367 0.536 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001318158818 909647358 /nfs/dbraw/zinc/64/73/58/909647358.db2.gz JWOVSMNOGXWJOB-UHFFFAOYSA-N 1 2 281.400 0.773 20 30 CCEDLO C#CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001318301003 909697729 /nfs/dbraw/zinc/69/77/29/909697729.db2.gz ALCZJCPAWNPUKS-NWDGAFQWSA-N 1 2 295.364 0.093 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001389239466 909765329 /nfs/dbraw/zinc/76/53/29/909765329.db2.gz KTNUKWBBOVYATB-GHMZBOCLSA-N 1 2 277.328 0.054 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001389702821 910037625 /nfs/dbraw/zinc/03/76/25/910037625.db2.gz UFWRICUFIGBIHD-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001389702821 910037639 /nfs/dbraw/zinc/03/76/39/910037639.db2.gz UFWRICUFIGBIHD-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[S@@](=O)CCN1CC[NH+](CCCCC#N)CC1 ZINC001319390169 910124641 /nfs/dbraw/zinc/12/46/41/910124641.db2.gz UWVTXFWIOKXISA-QGZVFWFLSA-N 1 2 257.403 0.676 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(CCCCC#N)CC1 ZINC001319390169 910124645 /nfs/dbraw/zinc/12/46/45/910124645.db2.gz UWVTXFWIOKXISA-QGZVFWFLSA-N 1 2 257.403 0.676 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001391081306 910857602 /nfs/dbraw/zinc/85/76/02/910857602.db2.gz AXKDWAWYLQLHOZ-GXSJLCMTSA-N 1 2 293.396 0.944 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001391081306 910857608 /nfs/dbraw/zinc/85/76/08/910857608.db2.gz AXKDWAWYLQLHOZ-GXSJLCMTSA-N 1 2 293.396 0.944 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001391207398 910968371 /nfs/dbraw/zinc/96/83/71/910968371.db2.gz FGANKMFLROVHJA-UWVGGRQHSA-N 1 2 279.344 0.901 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001391471165 911163413 /nfs/dbraw/zinc/16/34/13/911163413.db2.gz FJZBFDCLNFZYLW-LLVKDONJSA-N 1 2 292.383 0.110 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/CNCC#N ZINC001321284601 911204803 /nfs/dbraw/zinc/20/48/03/911204803.db2.gz GOZCWGLTJPWSOO-VUDBWIFFSA-N 1 2 261.329 0.374 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/CNCC#N ZINC001321284601 911204809 /nfs/dbraw/zinc/20/48/09/911204809.db2.gz GOZCWGLTJPWSOO-VUDBWIFFSA-N 1 2 261.329 0.374 20 30 CCEDLO COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001391588165 911248120 /nfs/dbraw/zinc/24/81/20/911248120.db2.gz MIEMSKONBXFTIB-VXGBXAGGSA-N 1 2 288.351 0.940 20 30 CCEDLO COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001391588165 911248136 /nfs/dbraw/zinc/24/81/36/911248136.db2.gz MIEMSKONBXFTIB-VXGBXAGGSA-N 1 2 288.351 0.940 20 30 CCEDLO C#CC[NH2+]CCCN(C)C(=O)C(F)C(F)(F)F ZINC001322517693 911841264 /nfs/dbraw/zinc/84/12/64/911841264.db2.gz SEDGYLFMUDTWDK-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[NH2+]CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001322517693 911841275 /nfs/dbraw/zinc/84/12/75/911841275.db2.gz SEDGYLFMUDTWDK-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001323176372 912154805 /nfs/dbraw/zinc/15/48/05/912154805.db2.gz CUWJTGQIVGAZPM-OLZOCXBDSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001323176372 912154813 /nfs/dbraw/zinc/15/48/13/912154813.db2.gz CUWJTGQIVGAZPM-OLZOCXBDSA-N 1 2 279.384 0.834 20 30 CCEDLO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1nncs1 ZINC001398919290 914950771 /nfs/dbraw/zinc/95/07/71/914950771.db2.gz RSKUKBAFVMXSIS-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001329925499 916283132 /nfs/dbraw/zinc/28/31/32/916283132.db2.gz SKSMXYVQRPFHGE-GWCFXTLKSA-N 1 2 262.313 0.465 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001329925499 916283151 /nfs/dbraw/zinc/28/31/51/916283151.db2.gz SKSMXYVQRPFHGE-GWCFXTLKSA-N 1 2 262.313 0.465 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001401754829 916567584 /nfs/dbraw/zinc/56/75/84/916567584.db2.gz TVNMVJZJALEIHY-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001401754829 916567597 /nfs/dbraw/zinc/56/75/97/916567597.db2.gz TVNMVJZJALEIHY-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnn(C)n2)CC1 ZINC001402076543 916791662 /nfs/dbraw/zinc/79/16/62/916791662.db2.gz MYHJPOQRGCOMKO-NSHDSACASA-N 1 2 290.371 0.445 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001330710087 916805892 /nfs/dbraw/zinc/80/58/92/916805892.db2.gz APZGKGQWWZXHRP-CYBMUJFWSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001330710087 916805908 /nfs/dbraw/zinc/80/59/08/916805908.db2.gz APZGKGQWWZXHRP-CYBMUJFWSA-N 1 2 299.440 0.763 20 30 CCEDLO C=C(C)Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC001330767137 916845045 /nfs/dbraw/zinc/84/50/45/916845045.db2.gz HVYZKHSQYMOJSL-SNVBAGLBSA-N 1 2 270.358 0.131 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1nccc(C)n1 ZINC001331705437 917532523 /nfs/dbraw/zinc/53/25/23/917532523.db2.gz HPJFHRWSORQANA-ZDUSSCGKSA-N 1 2 290.367 0.155 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001403504239 917748134 /nfs/dbraw/zinc/74/81/34/917748134.db2.gz FZWLUZCCKUQZEP-NWDGAFQWSA-N 1 2 282.388 0.355 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001403504239 917748145 /nfs/dbraw/zinc/74/81/45/917748145.db2.gz FZWLUZCCKUQZEP-NWDGAFQWSA-N 1 2 282.388 0.355 20 30 CCEDLO COc1coc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)cc1=O ZINC001403507049 917754934 /nfs/dbraw/zinc/75/49/34/917754934.db2.gz LVUUGUOWPIKYAY-JTQLQIEISA-N 1 2 293.323 0.356 20 30 CCEDLO COc1coc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)cc1=O ZINC001403507049 917754944 /nfs/dbraw/zinc/75/49/44/917754944.db2.gz LVUUGUOWPIKYAY-JTQLQIEISA-N 1 2 293.323 0.356 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332148477 917903986 /nfs/dbraw/zinc/90/39/86/917903986.db2.gz YCNYOUKFNZCVFU-RISCZKNCSA-N 1 2 290.367 0.681 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332148477 917904002 /nfs/dbraw/zinc/90/40/02/917904002.db2.gz YCNYOUKFNZCVFU-RISCZKNCSA-N 1 2 290.367 0.681 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CC2CC2)CCC[N@@H+]1CC(=O)NCC#N ZINC001332160169 917919600 /nfs/dbraw/zinc/91/96/00/917919600.db2.gz QMRWFULASLAMSZ-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CC2CC2)CCC[N@H+]1CC(=O)NCC#N ZINC001332160169 917919614 /nfs/dbraw/zinc/91/96/14/917919614.db2.gz QMRWFULASLAMSZ-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO COCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001405802030 918916940 /nfs/dbraw/zinc/91/69/40/918916940.db2.gz XTXYEXRYOUAJCR-UWVGGRQHSA-N 1 2 295.343 0.312 20 30 CCEDLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001406454073 919276476 /nfs/dbraw/zinc/27/64/76/919276476.db2.gz ORPHNFMCRZGPDX-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001334377087 919533803 /nfs/dbraw/zinc/53/38/03/919533803.db2.gz DAUJKDCQBPWMKX-NSHDSACASA-N 1 2 267.329 0.157 20 30 CCEDLO C=CCN1CC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001334377087 919533810 /nfs/dbraw/zinc/53/38/10/919533810.db2.gz DAUJKDCQBPWMKX-NSHDSACASA-N 1 2 267.329 0.157 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001407709548 919858073 /nfs/dbraw/zinc/85/80/73/919858073.db2.gz AGMKSCHVPVZKHW-CABZTGNLSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001408497906 920206198 /nfs/dbraw/zinc/20/61/98/920206198.db2.gz HDYYYXVIMDMDHD-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC001413960350 920227424 /nfs/dbraw/zinc/22/74/24/920227424.db2.gz GBKPAYKVTQXUPK-XCLFUZPHSA-N 1 2 299.440 0.037 20 30 CCEDLO C[S@](=O)CCN1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC001413960350 920227437 /nfs/dbraw/zinc/22/74/37/920227437.db2.gz GBKPAYKVTQXUPK-XCLFUZPHSA-N 1 2 299.440 0.037 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001414670381 920461021 /nfs/dbraw/zinc/46/10/21/920461021.db2.gz DCNZVHDILZPBFZ-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO Cn1c(=O)[nH]c(NCCCC[N@H+](C)C2CC2)c(C#N)c1=O ZINC001336667401 920917890 /nfs/dbraw/zinc/91/78/90/920917890.db2.gz XIKBMTJMFYIBSN-UHFFFAOYSA-N 1 2 291.355 0.232 20 30 CCEDLO Cn1c(=O)[nH]c(NCCCC[N@@H+](C)C2CC2)c(C#N)c1=O ZINC001336667401 920917906 /nfs/dbraw/zinc/91/79/06/920917906.db2.gz XIKBMTJMFYIBSN-UHFFFAOYSA-N 1 2 291.355 0.232 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H](C)C#N)on1 ZINC001418596443 922295992 /nfs/dbraw/zinc/29/59/92/922295992.db2.gz SFRYJKSHQNMKHD-MNOVXSKESA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H](C)C#N)on1 ZINC001418596443 922296004 /nfs/dbraw/zinc/29/60/04/922296004.db2.gz SFRYJKSHQNMKHD-MNOVXSKESA-N 1 2 292.339 0.923 20 30 CCEDLO N#C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001341092374 922344299 /nfs/dbraw/zinc/34/42/99/922344299.db2.gz BWECOVNATVCAKZ-SECBINFHSA-N 1 2 259.313 0.431 20 30 CCEDLO C=C(C)C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OCC ZINC001341595184 922573452 /nfs/dbraw/zinc/57/34/52/922573452.db2.gz SWWQORAEDFSOTC-BDAKNGLRSA-N 1 2 278.299 0.983 20 30 CCEDLO C=C(Br)C[NH2+][C@H](C)CNC(=O)c1nc[nH]n1 ZINC001419877594 923144187 /nfs/dbraw/zinc/14/41/87/923144187.db2.gz ZXBSQKPCCRFVAA-SSDOTTSWSA-N 1 2 288.149 0.421 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001419991719 923219390 /nfs/dbraw/zinc/21/93/90/923219390.db2.gz CZKOYSUWYHVIFN-NSHDSACASA-N 1 2 287.791 0.750 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001419991719 923219403 /nfs/dbraw/zinc/21/94/03/923219403.db2.gz CZKOYSUWYHVIFN-NSHDSACASA-N 1 2 287.791 0.750 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCCC#N)C1 ZINC001346453474 924221789 /nfs/dbraw/zinc/22/17/89/924221789.db2.gz VODODHXMOYIKHA-GFCCVEGCSA-N 1 2 252.362 0.432 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCCC#N)C1 ZINC001346453474 924221802 /nfs/dbraw/zinc/22/18/02/924221802.db2.gz VODODHXMOYIKHA-GFCCVEGCSA-N 1 2 252.362 0.432 20 30 CCEDLO N#C[C@@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001347797644 924540075 /nfs/dbraw/zinc/54/00/75/924540075.db2.gz VESIOSQJBSGOPV-ZDUSSCGKSA-N 1 2 284.319 0.475 20 30 CCEDLO C=C(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001348048538 924584803 /nfs/dbraw/zinc/58/48/03/924584803.db2.gz UTJBKRJLAZAEDC-JTQLQIEISA-N 1 2 250.302 0.149 20 30 CCEDLO C=C(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001348048538 924584810 /nfs/dbraw/zinc/58/48/10/924584810.db2.gz UTJBKRJLAZAEDC-JTQLQIEISA-N 1 2 250.302 0.149 20 30 CCEDLO C=C(CC)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001350053937 925123717 /nfs/dbraw/zinc/12/37/17/925123717.db2.gz RGZJEGAFVXKAQC-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001353202055 925763053 /nfs/dbraw/zinc/76/30/53/925763053.db2.gz XMSUIJPQFHMVKQ-NEPJUHHUSA-N 1 2 268.357 0.952 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001354792934 926168703 /nfs/dbraw/zinc/16/87/03/926168703.db2.gz NOIVLEUPHCCINT-ZDUSSCGKSA-N 1 2 288.351 0.093 20 30 CCEDLO C#CCCCC(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001356808898 926447270 /nfs/dbraw/zinc/44/72/70/926447270.db2.gz KXBVSTKRQTWJRF-UHFFFAOYSA-N 1 2 288.351 0.330 20 30 CCEDLO Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N)nn1C ZINC001422782236 927508511 /nfs/dbraw/zinc/50/85/11/927508511.db2.gz NTNFAQLBKRAELE-MNOVXSKESA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N)nn1C ZINC001422782236 927508518 /nfs/dbraw/zinc/50/85/18/927508518.db2.gz NTNFAQLBKRAELE-MNOVXSKESA-N 1 2 277.372 0.825 20 30 CCEDLO N#CC1(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001362347569 927905142 /nfs/dbraw/zinc/90/51/42/927905142.db2.gz LLWSNTGKEWYMBP-LBPRGKRZSA-N 1 2 291.351 0.576 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C#N)cc1F ZINC001363486365 929290260 /nfs/dbraw/zinc/29/02/60/929290260.db2.gz AHRWXQXRTPHPGK-GFCCVEGCSA-N 1 2 288.282 0.894 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001429454530 929459063 /nfs/dbraw/zinc/45/90/63/929459063.db2.gz PNEYNUQYELXSGD-GMTAPVOTSA-N 1 2 289.339 0.247 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001429454530 929459073 /nfs/dbraw/zinc/45/90/73/929459073.db2.gz PNEYNUQYELXSGD-GMTAPVOTSA-N 1 2 289.339 0.247 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001363659719 929462406 /nfs/dbraw/zinc/46/24/06/929462406.db2.gz OQZIIPUGRRDNKN-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1ccnc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001363659719 929462411 /nfs/dbraw/zinc/46/24/11/929462411.db2.gz OQZIIPUGRRDNKN-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001443568724 929648744 /nfs/dbraw/zinc/64/87/44/929648744.db2.gz GNAUTYDJGKHBRS-NSHDSACASA-N 1 2 294.399 0.356 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372187063 929763647 /nfs/dbraw/zinc/76/36/47/929763647.db2.gz CEMZBMSZYLCHPL-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001444953746 929981918 /nfs/dbraw/zinc/98/19/18/929981918.db2.gz ONQJDLWRMYCAII-UHFFFAOYSA-N 1 2 277.752 0.485 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CNC(=O)OC ZINC001444953746 929981921 /nfs/dbraw/zinc/98/19/21/929981921.db2.gz ONQJDLWRMYCAII-UHFFFAOYSA-N 1 2 277.752 0.485 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001445687699 930215010 /nfs/dbraw/zinc/21/50/10/930215010.db2.gz NSYMEDMEBPQQOB-BDAKNGLRSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC001445687699 930215024 /nfs/dbraw/zinc/21/50/24/930215024.db2.gz NSYMEDMEBPQQOB-BDAKNGLRSA-N 1 2 281.385 0.943 20 30 CCEDLO N#CCCCCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446602213 930447093 /nfs/dbraw/zinc/44/70/93/930447093.db2.gz DICYMYSEVPDXQI-ZDUSSCGKSA-N 1 2 293.367 0.966 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2ccn[nH]2)CC1 ZINC001447705571 930684733 /nfs/dbraw/zinc/68/47/33/930684733.db2.gz SSZCGYHAAPWXIP-UHFFFAOYSA-N 1 2 298.774 0.719 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451234192 931403112 /nfs/dbraw/zinc/40/31/12/931403112.db2.gz QZYUKIVNEHCESI-VHSXEESVSA-N 1 2 277.328 0.075 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001377167570 931415553 /nfs/dbraw/zinc/41/55/53/931415553.db2.gz PRQVVUPRULKTSX-NSHDSACASA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001377167570 931415556 /nfs/dbraw/zinc/41/55/56/931415556.db2.gz PRQVVUPRULKTSX-NSHDSACASA-N 1 2 287.791 0.703 20 30 CCEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001588669758 983814010 /nfs/dbraw/zinc/81/40/10/983814010.db2.gz OSHPBJFICVCNLZ-LBPRGKRZSA-N 1 2 277.324 0.851 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1C#N ZINC000599658893 361775116 /nfs/dbraw/zinc/77/51/16/361775116.db2.gz GFBPPTRXUALYRI-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1C#N ZINC000599658893 361775121 /nfs/dbraw/zinc/77/51/21/361775121.db2.gz GFBPPTRXUALYRI-AWEZNQCLSA-N 1 2 273.336 0.943 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666520 361779643 /nfs/dbraw/zinc/77/96/43/361779643.db2.gz XWRNXULLHULKKU-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599666520 361779646 /nfs/dbraw/zinc/77/96/46/361779646.db2.gz XWRNXULLHULKKU-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620853 361761612 /nfs/dbraw/zinc/76/16/12/361761612.db2.gz VXWNQPCPBXHGBS-STQMWFEESA-N 1 2 283.372 0.484 20 30 CCEDLO CCOC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620853 361761616 /nfs/dbraw/zinc/76/16/16/361761616.db2.gz VXWNQPCPBXHGBS-STQMWFEESA-N 1 2 283.372 0.484 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599627004 361763676 /nfs/dbraw/zinc/76/36/76/361763676.db2.gz UGQOYOGIPMZUFM-RTXFEEFZSA-N 1 2 257.330 0.027 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599627004 361763681 /nfs/dbraw/zinc/76/36/81/361763681.db2.gz UGQOYOGIPMZUFM-RTXFEEFZSA-N 1 2 257.330 0.027 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599693375 361790159 /nfs/dbraw/zinc/79/01/59/361790159.db2.gz OUTBJBLTLWMDLA-BXUZGUMPSA-N 1 2 299.371 0.124 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599693375 361790161 /nfs/dbraw/zinc/79/01/61/361790161.db2.gz OUTBJBLTLWMDLA-BXUZGUMPSA-N 1 2 299.371 0.124 20 30 CCEDLO CCOC(=O)c1cccc(C[NH+]2CCN(CC#N)CC2)n1 ZINC000600118279 361871657 /nfs/dbraw/zinc/87/16/57/361871657.db2.gz XMCJKOOMHNEVPO-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C(C)(C)C#N ZINC000600233389 361898071 /nfs/dbraw/zinc/89/80/71/361898071.db2.gz XYLVGQDSDJIYRB-OAHLLOKOSA-N 1 2 295.383 0.268 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C(C)(C)C#N ZINC000600233389 361898074 /nfs/dbraw/zinc/89/80/74/361898074.db2.gz XYLVGQDSDJIYRB-OAHLLOKOSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600235353 361898617 /nfs/dbraw/zinc/89/86/17/361898617.db2.gz YFSSBXKQNOVTPN-WFASDCNBSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600235353 361898622 /nfs/dbraw/zinc/89/86/22/361898622.db2.gz YFSSBXKQNOVTPN-WFASDCNBSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cn1 ZINC000104215077 349712913 /nfs/dbraw/zinc/71/29/13/349712913.db2.gz JAPOMJZJCLXYOL-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000109833098 349755295 /nfs/dbraw/zinc/75/52/95/349755295.db2.gz XNKRLBXEDNATOT-NSHDSACASA-N 1 2 269.345 0.489 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000109833098 349755296 /nfs/dbraw/zinc/75/52/96/349755296.db2.gz XNKRLBXEDNATOT-NSHDSACASA-N 1 2 269.345 0.489 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC(OC)C2)c1C#N ZINC000600813763 362068067 /nfs/dbraw/zinc/06/80/67/362068067.db2.gz CMQWUCZGQUXKAG-UHFFFAOYSA-N 1 2 291.355 0.219 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH+]1CCOCC1 ZINC000126421616 187238529 /nfs/dbraw/zinc/23/85/29/187238529.db2.gz LIFKMQFEEATJSK-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)COCC)CC1 ZINC000777053679 581104795 /nfs/dbraw/zinc/10/47/95/581104795.db2.gz LMIJAXNQOXYLMQ-UHFFFAOYSA-N 1 2 267.325 0.480 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617732868 365743341 /nfs/dbraw/zinc/74/33/41/365743341.db2.gz KDIPYTBOLUVUMU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617732868 365743348 /nfs/dbraw/zinc/74/33/48/365743348.db2.gz KDIPYTBOLUVUMU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[S@@](=O)C2)c[nH+]1 ZINC000329985460 529778932 /nfs/dbraw/zinc/77/89/32/529778932.db2.gz DGTUNHXQIXVPHS-BIBXISHDSA-N 1 2 296.396 0.672 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC3(C2)CCOCC3)C1 ZINC000330202593 529782160 /nfs/dbraw/zinc/78/21/60/529782160.db2.gz ZNDUWVCDFWSNRO-LBPRGKRZSA-N 1 2 283.372 0.343 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CC3(C2)CCOCC3)C1 ZINC000330202593 529782161 /nfs/dbraw/zinc/78/21/61/529782161.db2.gz ZNDUWVCDFWSNRO-LBPRGKRZSA-N 1 2 283.372 0.343 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000330162602 529787391 /nfs/dbraw/zinc/78/73/91/529787391.db2.gz UQZABCJXTDPRHW-LURJTMIESA-N 1 2 293.249 0.611 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000330162602 529787392 /nfs/dbraw/zinc/78/73/92/529787392.db2.gz UQZABCJXTDPRHW-LURJTMIESA-N 1 2 293.249 0.611 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC#N)cc1 ZINC000602086363 362478142 /nfs/dbraw/zinc/47/81/42/362478142.db2.gz QAWYXCMBQIRFTP-CYBMUJFWSA-N 1 2 259.309 0.909 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC#N)cc1 ZINC000602086363 362478147 /nfs/dbraw/zinc/47/81/47/362478147.db2.gz QAWYXCMBQIRFTP-CYBMUJFWSA-N 1 2 259.309 0.909 20 30 CCEDLO CCc1c[nH]c(CC(=O)NCC2CCN(CC#N)CC2)[nH+]1 ZINC000602112364 362496726 /nfs/dbraw/zinc/49/67/26/362496726.db2.gz ZJSNWTDBTYJAMQ-UHFFFAOYSA-N 1 2 289.383 0.866 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196817 362552733 /nfs/dbraw/zinc/55/27/33/362552733.db2.gz DCXBOBLEHZAGSO-CYBMUJFWSA-N 1 2 272.352 0.928 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cnn2c1CCCC2 ZINC000602333761 362589832 /nfs/dbraw/zinc/58/98/32/362589832.db2.gz PDQMMYKGTZKGPN-OAHLLOKOSA-N 1 2 289.383 0.722 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncc2ccccn21 ZINC000602336062 362590177 /nfs/dbraw/zinc/59/01/77/362590177.db2.gz XHCOOFKXYFORBZ-CQSZACIVSA-N 1 2 271.324 0.908 20 30 CCEDLO C=C(C)C[C@H]([NH2+]C1CCN(CC(=O)OC)CC1)C(=O)OC ZINC000602733693 362775688 /nfs/dbraw/zinc/77/56/88/362775688.db2.gz KZJCPOAAXKETEU-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OC ZINC000602733693 362775694 /nfs/dbraw/zinc/77/56/94/362775694.db2.gz KZJCPOAAXKETEU-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO CCn1nnc(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000602747601 362780751 /nfs/dbraw/zinc/78/07/51/362780751.db2.gz CZLYPYAOEXNYIO-UHFFFAOYSA-N 1 2 262.361 0.638 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000602796059 362804884 /nfs/dbraw/zinc/80/48/84/362804884.db2.gz QIFHFXUJVDIFKP-AWEZNQCLSA-N 1 2 263.389 0.955 20 30 CCEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602861629 362846767 /nfs/dbraw/zinc/84/67/67/362846767.db2.gz GTTQZORUTKRHMC-NEPJUHHUSA-N 1 2 281.356 0.822 20 30 CCEDLO C[C@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H](C)N1CC#N ZINC000602855100 362842210 /nfs/dbraw/zinc/84/22/10/362842210.db2.gz RSXHRUSWMJWGJE-STQMWFEESA-N 1 2 299.440 0.729 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000312657572 137077254 /nfs/dbraw/zinc/07/72/54/137077254.db2.gz GRRWDLCAHXWQGG-UHFFFAOYSA-N 1 2 274.324 0.694 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000312657572 137077255 /nfs/dbraw/zinc/07/72/55/137077255.db2.gz GRRWDLCAHXWQGG-UHFFFAOYSA-N 1 2 274.324 0.694 20 30 CCEDLO N#Cc1ncn(CCNC(=O)Cc2cn3ccccc3[nH+]2)n1 ZINC000342937838 137104975 /nfs/dbraw/zinc/10/49/75/137104975.db2.gz MAJOFRZSABBLBP-UHFFFAOYSA-N 1 2 295.306 0.156 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000602869785 362852362 /nfs/dbraw/zinc/85/23/62/362852362.db2.gz OTYLGHWDFIGBSS-LLVKDONJSA-N 1 2 274.324 0.904 20 30 CCEDLO COc1cc[nH+]c(Cn2c(N)nc(C#N)c2C#N)c1 ZINC000346612379 137295078 /nfs/dbraw/zinc/29/50/78/137295078.db2.gz WGRLMYOAIPPAJH-UHFFFAOYSA-N 1 2 254.253 0.491 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602965235 362912482 /nfs/dbraw/zinc/91/24/82/362912482.db2.gz ACYDBKNAKBMBSV-LBPRGKRZSA-N 1 2 271.357 0.561 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975110 362918821 /nfs/dbraw/zinc/91/88/21/362918821.db2.gz YMQUAXJIAXMOIJ-QJPTWQEYSA-N 1 2 296.371 0.471 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975110 362918826 /nfs/dbraw/zinc/91/88/26/362918826.db2.gz YMQUAXJIAXMOIJ-QJPTWQEYSA-N 1 2 296.371 0.471 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602975069 362918949 /nfs/dbraw/zinc/91/89/49/362918949.db2.gz YGALKHLZYFMFLB-ONGXEEELSA-N 1 2 264.329 0.599 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602975069 362918954 /nfs/dbraw/zinc/91/89/54/362918954.db2.gz YGALKHLZYFMFLB-ONGXEEELSA-N 1 2 264.329 0.599 20 30 CCEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000049957332 348461911 /nfs/dbraw/zinc/46/19/11/348461911.db2.gz MHGSEUYFAIUNAP-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000049957332 348461913 /nfs/dbraw/zinc/46/19/13/348461913.db2.gz MHGSEUYFAIUNAP-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO CCCCNC(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000049976270 348462676 /nfs/dbraw/zinc/46/26/76/348462676.db2.gz AMRDADSEFXLEHZ-UHFFFAOYSA-N 1 2 266.389 0.824 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000066306953 348738759 /nfs/dbraw/zinc/73/87/59/348738759.db2.gz GHQMWCBVFZDTTQ-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068468181 348811304 /nfs/dbraw/zinc/81/13/04/348811304.db2.gz HZYKOYWBIKZKAU-UHFFFAOYSA-N 1 2 277.280 0.969 20 30 CCEDLO CC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512538 349270295 /nfs/dbraw/zinc/27/02/95/349270295.db2.gz PPMBLAHBKVGLEI-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO CC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512538 349270299 /nfs/dbraw/zinc/27/02/99/349270299.db2.gz PPMBLAHBKVGLEI-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2CO)CC1 ZINC000089129217 349375547 /nfs/dbraw/zinc/37/55/47/349375547.db2.gz OMHDZKYCLINBMZ-UHFFFAOYSA-N 1 2 288.347 0.335 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000104691113 186014729 /nfs/dbraw/zinc/01/47/29/186014729.db2.gz DHTVEINFEPEBNP-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000104691113 186014731 /nfs/dbraw/zinc/01/47/31/186014731.db2.gz DHTVEINFEPEBNP-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152694572 350538000 /nfs/dbraw/zinc/53/80/00/350538000.db2.gz VHCABTGDZAUWCL-BXUZGUMPSA-N 1 2 298.346 0.262 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152694572 350538004 /nfs/dbraw/zinc/53/80/04/350538004.db2.gz VHCABTGDZAUWCL-BXUZGUMPSA-N 1 2 298.346 0.262 20 30 CCEDLO C=CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000618523609 366037011 /nfs/dbraw/zinc/03/70/11/366037011.db2.gz KYQZLWXWUPIJIC-CYBMUJFWSA-N 1 2 269.389 0.331 20 30 CCEDLO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000193170983 351815470 /nfs/dbraw/zinc/81/54/70/351815470.db2.gz KXGKPWYUDYYGLC-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)[NH+]1CCN(C)CC1 ZINC000123532377 187097680 /nfs/dbraw/zinc/09/76/80/187097680.db2.gz DRBQJTPKBQDJEP-NSHDSACASA-N 1 2 260.345 0.396 20 30 CCEDLO COc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1C#N ZINC000235000898 352179431 /nfs/dbraw/zinc/17/94/31/352179431.db2.gz RIJCITANSMQIJU-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1C#N ZINC000235000898 352179436 /nfs/dbraw/zinc/17/94/36/352179436.db2.gz RIJCITANSMQIJU-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000603661996 363152984 /nfs/dbraw/zinc/15/29/84/363152984.db2.gz ZQJJOQZMFMLTAL-NSHDSACASA-N 1 2 287.367 0.904 20 30 CCEDLO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000603661996 363152989 /nfs/dbraw/zinc/15/29/89/363152989.db2.gz ZQJJOQZMFMLTAL-NSHDSACASA-N 1 2 287.367 0.904 20 30 CCEDLO C[N@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272340152 353054207 /nfs/dbraw/zinc/05/42/07/353054207.db2.gz ONCBHDCJSRZAHV-CYBMUJFWSA-N 1 2 286.335 0.471 20 30 CCEDLO C[N@@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272340152 353054208 /nfs/dbraw/zinc/05/42/08/353054208.db2.gz ONCBHDCJSRZAHV-CYBMUJFWSA-N 1 2 286.335 0.471 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560576 363204795 /nfs/dbraw/zinc/20/47/95/363204795.db2.gz XZOZXTUERNHAQJ-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C#CCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277111662 353224632 /nfs/dbraw/zinc/22/46/32/353224632.db2.gz XQEYSNBUAIUBCM-UHFFFAOYSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277379299 353240259 /nfs/dbraw/zinc/24/02/59/353240259.db2.gz HQBILLILYUOOBC-DINDLPBHSA-N 1 2 258.387 0.378 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277379299 353240261 /nfs/dbraw/zinc/24/02/61/353240261.db2.gz HQBILLILYUOOBC-DINDLPBHSA-N 1 2 258.387 0.378 20 30 CCEDLO N#Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c[nH]1 ZINC000277927954 353273074 /nfs/dbraw/zinc/27/30/74/353273074.db2.gz NPQNWKQRPCBVLN-UHFFFAOYSA-N 1 2 274.324 0.481 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280341773 353356861 /nfs/dbraw/zinc/35/68/61/353356861.db2.gz VRPLQUYUSHAOPL-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280341773 353356863 /nfs/dbraw/zinc/35/68/63/353356863.db2.gz VRPLQUYUSHAOPL-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C(C)(C)C1 ZINC000287852844 353671600 /nfs/dbraw/zinc/67/16/00/353671600.db2.gz OVNPSXQUQQJPTK-UHFFFAOYSA-N 1 2 283.353 0.866 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C(C)(C)C1 ZINC000287852844 353671603 /nfs/dbraw/zinc/67/16/03/353671603.db2.gz OVNPSXQUQQJPTK-UHFFFAOYSA-N 1 2 283.353 0.866 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCCC2)nc1 ZINC000290277557 353718627 /nfs/dbraw/zinc/71/86/27/353718627.db2.gz LYHJDBOYBITUNM-UHFFFAOYSA-N 1 2 265.338 0.823 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cncnc3)C[C@@H]21 ZINC000329792826 283013118 /nfs/dbraw/zinc/01/31/18/283013118.db2.gz VHKKDZAGMWFKQS-WDEREUQCSA-N 1 2 263.301 0.037 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cncnc3)C[C@@H]21 ZINC000329792826 283013124 /nfs/dbraw/zinc/01/31/24/283013124.db2.gz VHKKDZAGMWFKQS-WDEREUQCSA-N 1 2 263.301 0.037 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c(F)c1 ZINC000330465265 354369334 /nfs/dbraw/zinc/36/93/34/354369334.db2.gz FWKYBEYFHOUANP-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(F)c1 ZINC000330465265 354369336 /nfs/dbraw/zinc/36/93/36/354369336.db2.gz FWKYBEYFHOUANP-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000557571417 291036323 /nfs/dbraw/zinc/03/63/23/291036323.db2.gz CLYRPCWMUPZMDB-LLVKDONJSA-N 1 2 261.329 0.211 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000557571417 291036325 /nfs/dbraw/zinc/03/63/25/291036325.db2.gz CLYRPCWMUPZMDB-LLVKDONJSA-N 1 2 261.329 0.211 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCSC[C@H]1CO)C1CC1 ZINC000331895768 354619551 /nfs/dbraw/zinc/61/95/51/354619551.db2.gz RSSPQGOACPZEHT-YPMHNXCESA-N 1 2 283.397 0.205 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCSC[C@H]1CO)C1CC1 ZINC000331895768 354619555 /nfs/dbraw/zinc/61/95/55/354619555.db2.gz RSSPQGOACPZEHT-YPMHNXCESA-N 1 2 283.397 0.205 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C)n2CC)CC1 ZINC000338544548 355366073 /nfs/dbraw/zinc/36/60/73/355366073.db2.gz PHEOLXFVPPUSPF-UHFFFAOYSA-N 1 2 292.387 0.031 20 30 CCEDLO N#Cc1ncn(CC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000426455404 235337340 /nfs/dbraw/zinc/33/73/40/235337340.db2.gz BSCQGBITDOOOKE-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)o1 ZINC000353476952 356232150 /nfs/dbraw/zinc/23/21/50/356232150.db2.gz ZRKUIJJKQYIVJH-VIFPVBQESA-N 1 2 269.326 0.404 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)o1 ZINC000353476952 356232153 /nfs/dbraw/zinc/23/21/53/356232153.db2.gz ZRKUIJJKQYIVJH-VIFPVBQESA-N 1 2 269.326 0.404 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000361045735 138019898 /nfs/dbraw/zinc/01/98/98/138019898.db2.gz MIFQLFFWGXCFPF-QMMMGPOBSA-N 1 2 272.268 0.753 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000354059778 356337594 /nfs/dbraw/zinc/33/75/94/356337594.db2.gz WMPVDZLMLLGCAK-JTQLQIEISA-N 1 2 283.353 0.665 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000354059778 356337597 /nfs/dbraw/zinc/33/75/97/356337597.db2.gz WMPVDZLMLLGCAK-JTQLQIEISA-N 1 2 283.353 0.665 20 30 CCEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000361964156 138040128 /nfs/dbraw/zinc/04/01/28/138040128.db2.gz YFMVIKNLHMXLRT-UHFFFAOYSA-N 1 2 295.364 0.551 20 30 CCEDLO CN(C(=O)C[N@H+](C)CC(=O)NCC#N)C1CCCCC1 ZINC000609417418 363494989 /nfs/dbraw/zinc/49/49/89/363494989.db2.gz ITDAMUFRKDBUGV-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CN(C(=O)C[N@@H+](C)CC(=O)NCC#N)C1CCCCC1 ZINC000609417418 363494993 /nfs/dbraw/zinc/49/49/93/363494993.db2.gz ITDAMUFRKDBUGV-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609539330 363503906 /nfs/dbraw/zinc/50/39/06/363503906.db2.gz XPAHYCVHVRNJOE-GFCCVEGCSA-N 1 2 252.362 0.240 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000610272804 363548189 /nfs/dbraw/zinc/54/81/89/363548189.db2.gz BORLTZPQBSDGAG-UHFFFAOYSA-N 1 2 290.342 0.908 20 30 CCEDLO C=C[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)C(=O)OC ZINC000619704313 366328660 /nfs/dbraw/zinc/32/86/60/366328660.db2.gz DCMLPXGXMYSZRD-NEPJUHHUSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000619719789 366339666 /nfs/dbraw/zinc/33/96/66/366339666.db2.gz DLNNMBMNFFANBB-WDEREUQCSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000619719789 366339669 /nfs/dbraw/zinc/33/96/69/366339669.db2.gz DLNNMBMNFFANBB-WDEREUQCSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000619721302 366341550 /nfs/dbraw/zinc/34/15/50/366341550.db2.gz TYHTYQOXUOXWIF-GFCCVEGCSA-N 1 2 276.340 0.635 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]1C ZINC000619712597 366331236 /nfs/dbraw/zinc/33/12/36/366331236.db2.gz ICLJTXVBRBPICF-VXGBXAGGSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]1C ZINC000619712597 366331241 /nfs/dbraw/zinc/33/12/41/366331241.db2.gz ICLJTXVBRBPICF-VXGBXAGGSA-N 1 2 288.417 0.349 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356238058 356729898 /nfs/dbraw/zinc/72/98/98/356729898.db2.gz LWLMHZOWNNUISB-VIFPVBQESA-N 1 2 264.354 0.973 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356238058 356729899 /nfs/dbraw/zinc/72/98/99/356729899.db2.gz LWLMHZOWNNUISB-VIFPVBQESA-N 1 2 264.354 0.973 20 30 CCEDLO C=C[C@@H](O)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882662 366368262 /nfs/dbraw/zinc/36/82/62/366368262.db2.gz KUFUQOTZBPHVPM-CYBMUJFWSA-N 1 2 268.357 0.104 20 30 CCEDLO CO[C@@H]1C[NH+](Cc2nc(C#N)cs2)C[C@H]1OC ZINC000356401042 356760573 /nfs/dbraw/zinc/76/05/73/356760573.db2.gz GVSZNGHFIZSLCE-NXEZZACHSA-N 1 2 253.327 0.860 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000359929713 356920650 /nfs/dbraw/zinc/92/06/50/356920650.db2.gz LSZWQIGYCJULGT-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000359929713 356920656 /nfs/dbraw/zinc/92/06/56/356920656.db2.gz LSZWQIGYCJULGT-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO Cn1nnc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000370536823 357354618 /nfs/dbraw/zinc/35/46/18/357354618.db2.gz XNLJQWHRNHEBEK-UHFFFAOYSA-N 1 2 268.324 0.924 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000294421073 199033291 /nfs/dbraw/zinc/03/32/91/199033291.db2.gz NGEZSGTXLMUNBF-AWEZNQCLSA-N 1 2 287.363 0.764 20 30 CCEDLO N#CC1(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000538324472 358547048 /nfs/dbraw/zinc/54/70/48/358547048.db2.gz SFWOOSICQFWIDP-UHFFFAOYSA-N 1 2 286.335 0.700 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cnc12 ZINC000567888395 358606310 /nfs/dbraw/zinc/60/63/10/358606310.db2.gz DDCIIEYXNKQIMD-OAHLLOKOSA-N 1 2 299.334 0.592 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@]4(CCOC4)C3)cnc12 ZINC000567888395 358606313 /nfs/dbraw/zinc/60/63/13/358606313.db2.gz DDCIIEYXNKQIMD-OAHLLOKOSA-N 1 2 299.334 0.592 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000568384231 358668464 /nfs/dbraw/zinc/66/84/64/358668464.db2.gz JJDMBUMDTIEIMT-LBPRGKRZSA-N 1 2 294.380 0.780 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000568707057 358697751 /nfs/dbraw/zinc/69/77/51/358697751.db2.gz ARIPRCKEPWPFOR-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000568707057 358697756 /nfs/dbraw/zinc/69/77/56/358697756.db2.gz ARIPRCKEPWPFOR-CYBMUJFWSA-N 1 2 284.323 0.735 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(c3cncc(C#N)n3)C2)CC1 ZINC000574196513 359037693 /nfs/dbraw/zinc/03/76/93/359037693.db2.gz GRJHUWUHNBJNGG-AWEZNQCLSA-N 1 2 286.383 0.564 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000573991562 359019102 /nfs/dbraw/zinc/01/91/02/359019102.db2.gz SUVRPHKCTWVBEH-FRRDWIJNSA-N 1 2 280.372 0.651 20 30 CCEDLO CCNC(=O)C1C[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584351477 359170806 /nfs/dbraw/zinc/17/08/06/359170806.db2.gz KUWYWNREPYFDNA-UHFFFAOYSA-N 1 2 284.323 0.169 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000588667880 359329491 /nfs/dbraw/zinc/32/94/91/359329491.db2.gz WCZVTKDNUZDCSU-AWEZNQCLSA-N 1 2 289.383 0.655 20 30 CCEDLO C=C[C@@H]([NH2+]CC1(COC)CCOCC1)C(=O)OC ZINC000589971104 359414023 /nfs/dbraw/zinc/41/40/23/359414023.db2.gz UFKLEWBWXPJFCX-LLVKDONJSA-N 1 2 257.330 0.747 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000611101187 363659450 /nfs/dbraw/zinc/65/94/50/363659450.db2.gz QIBHCPBHNFHSIV-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO N#Cc1cscc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000590097565 359423150 /nfs/dbraw/zinc/42/31/50/359423150.db2.gz WABAXORMDYUQLV-NSHDSACASA-N 1 2 276.365 0.349 20 30 CCEDLO Cn1cc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000589826951 359403187 /nfs/dbraw/zinc/40/31/87/359403187.db2.gz JPKZJMDLXXFOHC-ZDUSSCGKSA-N 1 2 263.345 0.313 20 30 CCEDLO C[C@@H](CNc1ncc2c(c1C#N)CCC2)[NH+]1CCOCC1 ZINC000591817767 359661797 /nfs/dbraw/zinc/66/17/97/359661797.db2.gz NTHZIBKFJYNEGB-LBPRGKRZSA-N 1 2 286.379 0.996 20 30 CCEDLO CCn1cnnc1CCNc1cc(C)[nH+]cc1C#N ZINC000591820821 359662847 /nfs/dbraw/zinc/66/28/47/359662847.db2.gz PRYWVOCEGABTON-UHFFFAOYSA-N 1 2 256.313 0.950 20 30 CCEDLO N#Cc1cnccc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000592059021 359745183 /nfs/dbraw/zinc/74/51/83/359745183.db2.gz MAEXUDKSYAMFFL-UHFFFAOYSA-N 1 2 299.378 0.349 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000297475339 200203777 /nfs/dbraw/zinc/20/37/77/200203777.db2.gz JFAWJHLZKSGOKH-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000592209769 359798578 /nfs/dbraw/zinc/79/85/78/359798578.db2.gz TXAKMSNSTFBOJH-IJLUTSLNSA-N 1 2 265.313 0.286 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000592209769 359798584 /nfs/dbraw/zinc/79/85/84/359798584.db2.gz TXAKMSNSTFBOJH-IJLUTSLNSA-N 1 2 265.313 0.286 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592146919 359766343 /nfs/dbraw/zinc/76/63/43/359766343.db2.gz GXWBPVZBVIWUBI-KGLIPLIRSA-N 1 2 276.340 0.145 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592146919 359766344 /nfs/dbraw/zinc/76/63/44/359766344.db2.gz GXWBPVZBVIWUBI-KGLIPLIRSA-N 1 2 276.340 0.145 20 30 CCEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148513 359767801 /nfs/dbraw/zinc/76/78/01/359767801.db2.gz ZHXNPCZFVBSMEP-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148513 359767803 /nfs/dbraw/zinc/76/78/03/359767803.db2.gz ZHXNPCZFVBSMEP-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000592256931 359805659 /nfs/dbraw/zinc/80/56/59/359805659.db2.gz QRHATFVLTQUDLH-NSHDSACASA-N 1 2 285.311 0.077 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CC(O)(COC)C2)cc1 ZINC000297591271 200235768 /nfs/dbraw/zinc/23/57/68/200235768.db2.gz SWBPETHBYQRZNL-UHFFFAOYSA-N 1 2 261.321 0.892 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CC23CCC3)c1C#N ZINC000611166606 363669688 /nfs/dbraw/zinc/66/96/88/363669688.db2.gz VLTMUEUMLHMEDF-NSHDSACASA-N 1 2 287.367 0.984 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173750 363671389 /nfs/dbraw/zinc/67/13/89/363671389.db2.gz JDTQPMSAGGFPDP-LBPRGKRZSA-N 1 2 250.346 0.208 20 30 CCEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175654 363672275 /nfs/dbraw/zinc/67/22/75/363672275.db2.gz CYRWOXCIUKUJLT-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000297947909 200307581 /nfs/dbraw/zinc/30/75/81/200307581.db2.gz DUSBWQIWQXTFOU-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1ccccc1=O ZINC000593155507 360048656 /nfs/dbraw/zinc/04/86/56/360048656.db2.gz YCEVBTZFPABQFQ-AWEZNQCLSA-N 1 2 276.340 0.198 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn2cccnc12 ZINC000593155604 360048741 /nfs/dbraw/zinc/04/87/41/360048741.db2.gz JVIZQMMTUIDRAD-CYBMUJFWSA-N 1 2 272.312 0.303 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000593992775 360229914 /nfs/dbraw/zinc/22/99/14/360229914.db2.gz DRCOAWUQOXIJTD-RYUDHWBXSA-N 1 2 280.368 0.951 20 30 CCEDLO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]cc1F ZINC000611399131 363713815 /nfs/dbraw/zinc/71/38/15/363713815.db2.gz PEPZEHSFYNJDHL-UHFFFAOYSA-N 1 2 260.276 0.695 20 30 CCEDLO Cn1nnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000594980990 360429304 /nfs/dbraw/zinc/42/93/04/360429304.db2.gz RVUKLYGNBKYPNS-UHFFFAOYSA-N 1 2 298.350 0.877 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000595435043 360530609 /nfs/dbraw/zinc/53/06/09/360530609.db2.gz KFZMWVXFOLLTRJ-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@H+](C)CCC#N)C1=O ZINC000595348122 360504170 /nfs/dbraw/zinc/50/41/70/360504170.db2.gz ZNFVEDHYVGVDLW-NSHDSACASA-N 1 2 267.329 0.386 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@@H+](C)CCC#N)C1=O ZINC000595348122 360504174 /nfs/dbraw/zinc/50/41/74/360504174.db2.gz ZNFVEDHYVGVDLW-NSHDSACASA-N 1 2 267.329 0.386 20 30 CCEDLO C=CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000595583962 360589561 /nfs/dbraw/zinc/58/95/61/360589561.db2.gz BNHRYWYWFBSOBF-CYBMUJFWSA-N 1 2 296.392 0.560 20 30 CCEDLO C=CC[N@H+](Cc1ccn(C)c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000595583962 360589563 /nfs/dbraw/zinc/58/95/63/360589563.db2.gz BNHRYWYWFBSOBF-CYBMUJFWSA-N 1 2 296.392 0.560 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616259 360598886 /nfs/dbraw/zinc/59/88/86/360598886.db2.gz AHUZHHLMCAUTMT-ABAIWWIYSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616259 360598891 /nfs/dbraw/zinc/59/88/91/360598891.db2.gz AHUZHHLMCAUTMT-ABAIWWIYSA-N 1 2 295.383 0.888 20 30 CCEDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000595658059 360607101 /nfs/dbraw/zinc/60/71/01/360607101.db2.gz BGLOMJAPVVASAY-WCBMZHEXSA-N 1 2 267.310 0.435 20 30 CCEDLO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595821649 360668592 /nfs/dbraw/zinc/66/85/92/360668592.db2.gz YNLJUAOIRSGHGZ-QWRGUYRKSA-N 1 2 259.375 0.502 20 30 CCEDLO CC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595821649 360668594 /nfs/dbraw/zinc/66/85/94/360668594.db2.gz YNLJUAOIRSGHGZ-QWRGUYRKSA-N 1 2 259.375 0.502 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C#N)cnn2)CC1 ZINC000596107470 360796518 /nfs/dbraw/zinc/79/65/18/360796518.db2.gz WYDVQQKACAFUFU-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C#N)cnn2)CC1 ZINC000596107470 360796519 /nfs/dbraw/zinc/79/65/19/360796519.db2.gz WYDVQQKACAFUFU-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)[C@@H](C)CO1 ZINC000596586908 360925536 /nfs/dbraw/zinc/92/55/36/360925536.db2.gz GXNSKIQHSXLLIW-NWDGAFQWSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)[C@@H](C)CO1 ZINC000596586908 360925541 /nfs/dbraw/zinc/92/55/41/360925541.db2.gz GXNSKIQHSXLLIW-NWDGAFQWSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@H](NC(=O)N=c1ccn(CCC#N)[nH]1)c1[nH+]ccn1C ZINC000596749410 360951373 /nfs/dbraw/zinc/95/13/73/360951373.db2.gz IUVKAKWYDPFWCY-JTQLQIEISA-N 1 2 287.327 0.835 20 30 CCEDLO C=CCCSCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000597253804 361042601 /nfs/dbraw/zinc/04/26/01/361042601.db2.gz FJRSPQITSGACAG-UHFFFAOYSA-N 1 2 296.396 0.462 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(CC#N)CC1)C2 ZINC000597275231 361049665 /nfs/dbraw/zinc/04/96/65/361049665.db2.gz TTWOOJXXPNWOQW-LBPRGKRZSA-N 1 2 287.367 0.491 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(CC#N)CC1)CC2 ZINC000597275231 361049667 /nfs/dbraw/zinc/04/96/67/361049667.db2.gz TTWOOJXXPNWOQW-LBPRGKRZSA-N 1 2 287.367 0.491 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640240 361169935 /nfs/dbraw/zinc/16/99/35/361169935.db2.gz JEUWHGHLMGFBFZ-VXGBXAGGSA-N 1 2 291.355 0.948 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640240 361169939 /nfs/dbraw/zinc/16/99/39/361169939.db2.gz JEUWHGHLMGFBFZ-VXGBXAGGSA-N 1 2 291.355 0.948 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640237 361170001 /nfs/dbraw/zinc/17/00/01/361170001.db2.gz JEUWHGHLMGFBFZ-NEPJUHHUSA-N 1 2 291.355 0.948 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640237 361170004 /nfs/dbraw/zinc/17/00/04/361170004.db2.gz JEUWHGHLMGFBFZ-NEPJUHHUSA-N 1 2 291.355 0.948 20 30 CCEDLO N#C[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000597746398 361230557 /nfs/dbraw/zinc/23/05/57/361230557.db2.gz JODXDOFDMHLEAZ-AWEZNQCLSA-N 1 2 289.335 0.133 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598590327 361449872 /nfs/dbraw/zinc/44/98/72/361449872.db2.gz PSUGMEPXQUIDEA-MNOVXSKESA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598590327 361449875 /nfs/dbraw/zinc/44/98/75/361449875.db2.gz PSUGMEPXQUIDEA-MNOVXSKESA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598590326 361449934 /nfs/dbraw/zinc/44/99/34/361449934.db2.gz PSUGMEPXQUIDEA-GHMZBOCLSA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598590326 361449938 /nfs/dbraw/zinc/44/99/38/361449938.db2.gz PSUGMEPXQUIDEA-GHMZBOCLSA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598607907 361458135 /nfs/dbraw/zinc/45/81/35/361458135.db2.gz OEQJWTUZABRBEB-SRVKXCTJSA-N 1 2 284.356 0.285 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598607907 361458137 /nfs/dbraw/zinc/45/81/37/361458137.db2.gz OEQJWTUZABRBEB-SRVKXCTJSA-N 1 2 284.356 0.285 20 30 CCEDLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)CC(C)(C)C#N ZINC000598623307 361464256 /nfs/dbraw/zinc/46/42/56/361464256.db2.gz VZQAZZHMTHIRMZ-QMMMGPOBSA-N 1 2 254.290 0.508 20 30 CCEDLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)CC(C)(C)C#N ZINC000598623307 361464260 /nfs/dbraw/zinc/46/42/60/361464260.db2.gz VZQAZZHMTHIRMZ-QMMMGPOBSA-N 1 2 254.290 0.508 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncccc1F ZINC000598836410 361523013 /nfs/dbraw/zinc/52/30/13/361523013.db2.gz ILZKKKJSXHIUGT-GFCCVEGCSA-N 1 2 250.277 0.794 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599298487 361641999 /nfs/dbraw/zinc/64/19/99/361641999.db2.gz YGXLKNJBSVJMFL-OLZOCXBDSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599298487 361642006 /nfs/dbraw/zinc/64/20/06/361642006.db2.gz YGXLKNJBSVJMFL-OLZOCXBDSA-N 1 2 295.383 0.268 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N=c1ccn(CCC#N)[nH]1)CC2 ZINC000599532159 361728870 /nfs/dbraw/zinc/72/88/70/361728870.db2.gz BTCYJPQAJNDXKX-GFCCVEGCSA-N 1 2 298.350 0.925 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000630965213 370341405 /nfs/dbraw/zinc/34/14/05/370341405.db2.gz PUDNDWYPHHQJRA-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632547488 371133020 /nfs/dbraw/zinc/13/30/20/371133020.db2.gz MBBBKOKIMLDAOV-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304776 372007043 /nfs/dbraw/zinc/00/70/43/372007043.db2.gz UDWOHEUFAGWAFD-LBPRGKRZSA-N 1 2 293.392 0.798 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](C)COC ZINC000637440416 374154376 /nfs/dbraw/zinc/15/43/76/374154376.db2.gz KILDRGZLEIUOKW-CHWSQXEVSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](C)COC ZINC000637440416 374154387 /nfs/dbraw/zinc/15/43/87/374154387.db2.gz KILDRGZLEIUOKW-CHWSQXEVSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638475180 375072975 /nfs/dbraw/zinc/07/29/75/375072975.db2.gz VPOPZUQJGROXGC-RYUDHWBXSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCCC(C)(C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638866139 375416012 /nfs/dbraw/zinc/41/60/12/375416012.db2.gz OBJFQXAMVZIPTA-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(N)(=O)=O)o1 ZINC000639099397 375576839 /nfs/dbraw/zinc/57/68/39/375576839.db2.gz HCKCIGWIZSSPJL-UHFFFAOYSA-N 1 2 274.342 0.561 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1ccc(S(N)(=O)=O)o1 ZINC000639099397 375576842 /nfs/dbraw/zinc/57/68/42/375576842.db2.gz HCKCIGWIZSSPJL-UHFFFAOYSA-N 1 2 274.342 0.561 20 30 CCEDLO C(#Cc1ccccc1)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731762 375958931 /nfs/dbraw/zinc/95/89/31/375958931.db2.gz LQXUOLSLHYJTMU-UHFFFAOYSA-N 1 2 267.336 0.978 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)C1=O ZINC000639689686 375922330 /nfs/dbraw/zinc/92/23/30/375922330.db2.gz KGWZNTDEOPQLSM-RVMXOQNASA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)C1=O ZINC000639689686 375922338 /nfs/dbraw/zinc/92/23/38/375922338.db2.gz KGWZNTDEOPQLSM-RVMXOQNASA-N 1 2 279.384 0.713 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnnn2CCCC)nn1 ZINC000640860559 376576418 /nfs/dbraw/zinc/57/64/18/376576418.db2.gz SCWOQMDUNNRNNB-UHFFFAOYSA-N 1 2 288.359 0.226 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2nc(C)cc2C)nn1 ZINC000641026747 376682244 /nfs/dbraw/zinc/68/22/44/376682244.db2.gz YEUIYQHCNNMJHO-UHFFFAOYSA-N 1 2 272.356 0.905 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)C(C)C)nn1 ZINC000641127781 376800395 /nfs/dbraw/zinc/80/03/95/376800395.db2.gz YLLZZPRKLYMKPT-GFCCVEGCSA-N 1 2 277.372 0.819 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccncc2F)nn1 ZINC000641158001 376820633 /nfs/dbraw/zinc/82/06/33/376820633.db2.gz DWSBZTARSLEKQD-UHFFFAOYSA-N 1 2 259.288 0.973 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2noc(C)n2)nn1 ZINC000641163192 376829173 /nfs/dbraw/zinc/82/91/73/376829173.db2.gz WOCCFWYGUYTZCC-VIFPVBQESA-N 1 2 260.301 0.692 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CC2(O)CCC2)nn1 ZINC000641230724 376929239 /nfs/dbraw/zinc/92/92/39/376929239.db2.gz SLLWNQPXZLFXIM-CYBMUJFWSA-N 1 2 278.356 0.057 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641523611 377217490 /nfs/dbraw/zinc/21/74/90/377217490.db2.gz QRKVOSUSDAMPEM-MNOVXSKESA-N 1 2 271.342 0.146 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@H+]([C@@H]3COC[C@H]3O)CCO2)c1 ZINC000463160863 249081454 /nfs/dbraw/zinc/08/14/54/249081454.db2.gz LEYSRTWJKFSBRN-RBSFLKMASA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@@H]3COC[C@H]3O)CCO2)c1 ZINC000463160863 249081457 /nfs/dbraw/zinc/08/14/57/249081457.db2.gz LEYSRTWJKFSBRN-RBSFLKMASA-N 1 2 274.320 0.691 20 30 CCEDLO CNC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000267064699 190300462 /nfs/dbraw/zinc/30/04/62/190300462.db2.gz NDZOHUIACOZXFJ-UHFFFAOYSA-N 1 2 288.351 0.894 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(F)c1C#N ZINC000267543391 190336697 /nfs/dbraw/zinc/33/66/97/190336697.db2.gz PXZYYFVZDUHRFQ-GFCCVEGCSA-N 1 2 293.342 0.827 20 30 CCEDLO COCC[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413030184 532972937 /nfs/dbraw/zinc/97/29/37/532972937.db2.gz GEGXESNEKOBFRA-UHFFFAOYSA-N 1 2 264.304 0.861 20 30 CCEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(N(C)C)n2)nn1 ZINC000657427007 412988574 /nfs/dbraw/zinc/98/85/74/412988574.db2.gz IGEVCAGZAUXGPI-UHFFFAOYSA-N 1 2 287.371 1.000 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186053525 388821546 /nfs/dbraw/zinc/82/15/46/388821546.db2.gz WUPVPSVAWJSSPP-VIFPVBQESA-N 1 2 290.285 0.968 20 30 CCEDLO N#CCCN(Cc1ccco1)C[C@H](O)C[NH+]1CCOCC1 ZINC000033786345 388834390 /nfs/dbraw/zinc/83/43/90/388834390.db2.gz OBZOGGRNBGHMOP-CQSZACIVSA-N 1 2 293.367 0.688 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286941522 388847977 /nfs/dbraw/zinc/84/79/77/388847977.db2.gz REQZGBGUPMEXOJ-UHFFFAOYSA-N 1 2 264.329 0.461 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000048559059 388892891 /nfs/dbraw/zinc/89/28/91/388892891.db2.gz LRUVBUWORFUADI-LLVKDONJSA-N 1 2 268.361 0.190 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000048559059 388892893 /nfs/dbraw/zinc/89/28/93/388892893.db2.gz LRUVBUWORFUADI-LLVKDONJSA-N 1 2 268.361 0.190 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCOCC1 ZINC000188285904 388922425 /nfs/dbraw/zinc/92/24/25/388922425.db2.gz SGYMOVMPZLIEID-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000056508968 388931216 /nfs/dbraw/zinc/93/12/16/388931216.db2.gz TWQJRYQMTOBUOV-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000056508968 388931219 /nfs/dbraw/zinc/93/12/19/388931219.db2.gz TWQJRYQMTOBUOV-AWEZNQCLSA-N 1 2 282.388 0.499 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CC[N@@H+]1CCO ZINC000188817893 388942244 /nfs/dbraw/zinc/94/22/44/388942244.db2.gz DIVAGDCXUUBMRL-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CC[N@H+]1CCO ZINC000188817893 388942249 /nfs/dbraw/zinc/94/22/49/388942249.db2.gz DIVAGDCXUUBMRL-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000292983063 388974491 /nfs/dbraw/zinc/97/44/91/388974491.db2.gz BNHSEDCUKJWQKN-CYBMUJFWSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000292983063 388974494 /nfs/dbraw/zinc/97/44/94/388974494.db2.gz BNHSEDCUKJWQKN-CYBMUJFWSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000293250686 388980725 /nfs/dbraw/zinc/98/07/25/388980725.db2.gz TYHXXFOPFVQCDA-UHFFFAOYSA-N 1 2 265.235 0.330 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000293250686 388980729 /nfs/dbraw/zinc/98/07/29/388980729.db2.gz TYHXXFOPFVQCDA-UHFFFAOYSA-N 1 2 265.235 0.330 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293301816 388982060 /nfs/dbraw/zinc/98/20/60/388982060.db2.gz WMTORDOYWGQJIJ-LBPRGKRZSA-N 1 2 260.341 0.871 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293301816 388982062 /nfs/dbraw/zinc/98/20/62/388982062.db2.gz WMTORDOYWGQJIJ-LBPRGKRZSA-N 1 2 260.341 0.871 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293867043 388988828 /nfs/dbraw/zinc/98/88/28/388988828.db2.gz BPDHMZTUYJMXCQ-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293867043 388988829 /nfs/dbraw/zinc/98/88/29/388988829.db2.gz BPDHMZTUYJMXCQ-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000354523815 389027193 /nfs/dbraw/zinc/02/71/93/389027193.db2.gz ZERWBVFKCGDGFJ-GWCFXTLKSA-N 1 2 278.312 0.550 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000354523815 389027194 /nfs/dbraw/zinc/02/71/94/389027194.db2.gz ZERWBVFKCGDGFJ-GWCFXTLKSA-N 1 2 278.312 0.550 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328914022 389144575 /nfs/dbraw/zinc/14/45/75/389144575.db2.gz PWUODSOTYXBLSI-VXNVDRBHSA-N 1 2 266.301 0.570 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328914022 389144578 /nfs/dbraw/zinc/14/45/78/389144578.db2.gz PWUODSOTYXBLSI-VXNVDRBHSA-N 1 2 266.301 0.570 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000328937853 389146101 /nfs/dbraw/zinc/14/61/01/389146101.db2.gz DCOUAEWWJVKLPH-GHMZBOCLSA-N 1 2 280.328 0.933 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000328937853 389146103 /nfs/dbraw/zinc/14/61/03/389146103.db2.gz DCOUAEWWJVKLPH-GHMZBOCLSA-N 1 2 280.328 0.933 20 30 CCEDLO CC#CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355585866 389097334 /nfs/dbraw/zinc/09/73/34/389097334.db2.gz HUEIJXXONWTXNK-CYBMUJFWSA-N 1 2 290.367 0.623 20 30 CCEDLO CC#CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355585866 389097338 /nfs/dbraw/zinc/09/73/38/389097338.db2.gz HUEIJXXONWTXNK-CYBMUJFWSA-N 1 2 290.367 0.623 20 30 CCEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)CCO ZINC000121318895 389147393 /nfs/dbraw/zinc/14/73/93/389147393.db2.gz WNMCEFOWBAGHRW-UHFFFAOYSA-N 1 2 265.313 0.316 20 30 CCEDLO Cc1cccc(CNC(=O)CO[NH+]=C(N)CCO)c1 ZINC000121380295 389148103 /nfs/dbraw/zinc/14/81/03/389148103.db2.gz WSJAOSRBBKFTLP-UHFFFAOYSA-N 1 2 265.313 0.282 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121375249 389148221 /nfs/dbraw/zinc/14/82/21/389148221.db2.gz YJXZBKIIZWRWCY-HNNXBMFYSA-N 1 2 286.379 0.957 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCOCCC#N ZINC000338993748 389120595 /nfs/dbraw/zinc/12/05/95/389120595.db2.gz ZFTHLSOIVGLIJZ-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCOCCC#N ZINC000338993748 389120596 /nfs/dbraw/zinc/12/05/96/389120596.db2.gz ZFTHLSOIVGLIJZ-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339071931 389124105 /nfs/dbraw/zinc/12/41/05/389124105.db2.gz DQEWRBWBPCYLJR-SDDRHHMPSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339071931 389124107 /nfs/dbraw/zinc/12/41/07/389124107.db2.gz DQEWRBWBPCYLJR-SDDRHHMPSA-N 1 2 288.417 0.490 20 30 CCEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)NC(C)(C)C ZINC000114723838 389130677 /nfs/dbraw/zinc/13/06/77/389130677.db2.gz CULJJVWJIGPOHJ-UHFFFAOYSA-N 1 2 267.373 0.691 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339437242 389133634 /nfs/dbraw/zinc/13/36/34/389133634.db2.gz GBNJDVQQLWLFAN-CQSZACIVSA-N 1 2 282.384 0.564 20 30 CCEDLO CN1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CCC1=O ZINC000328735930 389135035 /nfs/dbraw/zinc/13/50/35/389135035.db2.gz KXJOSJNKZWYRIY-LLVKDONJSA-N 1 2 283.372 0.675 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000357830351 389138936 /nfs/dbraw/zinc/13/89/36/389138936.db2.gz PVGOIMQBOQEWMA-LBPRGKRZSA-N 1 2 258.325 0.885 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329701651 389189828 /nfs/dbraw/zinc/18/98/28/389189828.db2.gz HOBUSIGVDLHXBP-NXEZZACHSA-N 1 2 260.359 0.614 20 30 CCEDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329701651 389189831 /nfs/dbraw/zinc/18/98/31/389189831.db2.gz HOBUSIGVDLHXBP-NXEZZACHSA-N 1 2 260.359 0.614 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360505331 389199206 /nfs/dbraw/zinc/19/92/06/389199206.db2.gz UILPLTARZNSRJZ-WDEREUQCSA-N 1 2 278.356 0.751 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360505331 389199208 /nfs/dbraw/zinc/19/92/08/389199208.db2.gz UILPLTARZNSRJZ-WDEREUQCSA-N 1 2 278.356 0.751 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOCC2(CC2)C1 ZINC000329442343 389164121 /nfs/dbraw/zinc/16/41/21/389164121.db2.gz KFSNZJPWZQBDSQ-ZDUSSCGKSA-N 1 2 297.399 0.734 20 30 CCEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329507817 389167501 /nfs/dbraw/zinc/16/75/01/389167501.db2.gz JCLDJAWYLXHFIV-TXEJJXNPSA-N 1 2 288.307 0.979 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC[C@@H]2CCCCO2)C1 ZINC000329513080 389167912 /nfs/dbraw/zinc/16/79/12/389167912.db2.gz NRPKWTKRFGSCSN-KGLIPLIRSA-N 1 2 298.431 0.695 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[C@@H]2CCCCO2)C1 ZINC000329513080 389167913 /nfs/dbraw/zinc/16/79/13/389167913.db2.gz NRPKWTKRFGSCSN-KGLIPLIRSA-N 1 2 298.431 0.695 20 30 CCEDLO C=C(C)COCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359182849 389168224 /nfs/dbraw/zinc/16/82/24/389168224.db2.gz GRPVVSDHNLNEHW-LLVKDONJSA-N 1 2 278.312 0.465 20 30 CCEDLO C=C(C)COCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359182849 389168228 /nfs/dbraw/zinc/16/82/28/389168228.db2.gz GRPVVSDHNLNEHW-LLVKDONJSA-N 1 2 278.312 0.465 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329561923 389171227 /nfs/dbraw/zinc/17/12/27/389171227.db2.gz MYFUEGONCJZXOX-GHMZBOCLSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329561923 389171231 /nfs/dbraw/zinc/17/12/31/389171231.db2.gz MYFUEGONCJZXOX-GHMZBOCLSA-N 1 2 293.327 0.046 20 30 CCEDLO CCN1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000329602247 389174717 /nfs/dbraw/zinc/17/47/17/389174717.db2.gz KVTDUGQXOIRYHA-JTQLQIEISA-N 1 2 291.355 0.345 20 30 CCEDLO CCN1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000329602247 389174719 /nfs/dbraw/zinc/17/47/19/389174719.db2.gz KVTDUGQXOIRYHA-JTQLQIEISA-N 1 2 291.355 0.345 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000134038729 389241295 /nfs/dbraw/zinc/24/12/95/389241295.db2.gz GHYBKCRGQVKYES-ZDUSSCGKSA-N 1 2 278.356 0.396 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000134038729 389241296 /nfs/dbraw/zinc/24/12/96/389241296.db2.gz GHYBKCRGQVKYES-ZDUSSCGKSA-N 1 2 278.356 0.396 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000247680141 389241726 /nfs/dbraw/zinc/24/17/26/389241726.db2.gz ZPEXOKPUCJKGSB-NWDGAFQWSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000247680141 389241732 /nfs/dbraw/zinc/24/17/32/389241732.db2.gz ZPEXOKPUCJKGSB-NWDGAFQWSA-N 1 2 257.330 0.577 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCCCC1 ZINC000330618999 389247464 /nfs/dbraw/zinc/24/74/64/389247464.db2.gz HYDBLDUDWNDUTJ-UHFFFAOYSA-N 1 2 270.377 0.406 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCCC1 ZINC000330618999 389247466 /nfs/dbraw/zinc/24/74/66/389247466.db2.gz HYDBLDUDWNDUTJ-UHFFFAOYSA-N 1 2 270.377 0.406 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248609798 389247800 /nfs/dbraw/zinc/24/78/00/389247800.db2.gz QBBVTASLBITANX-IUODEOHRSA-N 1 2 294.399 0.724 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248609798 389247807 /nfs/dbraw/zinc/24/78/07/389247807.db2.gz QBBVTASLBITANX-IUODEOHRSA-N 1 2 294.399 0.724 20 30 CCEDLO CN(CCC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343150849 389259608 /nfs/dbraw/zinc/25/96/08/389259608.db2.gz ARMIFURWQDMBFO-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO C[N@H+](CC(C)(CO)CO)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000135877696 389262716 /nfs/dbraw/zinc/26/27/16/389262716.db2.gz CVBNCHHCUSAKBI-ZDUSSCGKSA-N 1 2 291.351 0.007 20 30 CCEDLO C[N@@H+](CC(C)(CO)CO)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000135877696 389262717 /nfs/dbraw/zinc/26/27/17/389262717.db2.gz CVBNCHHCUSAKBI-ZDUSSCGKSA-N 1 2 291.351 0.007 20 30 CCEDLO C[C@@H]1OCC[C@@]12CN(C(=O)NCc1[nH+]ccn1C)CCO2 ZINC000329898973 389209855 /nfs/dbraw/zinc/20/98/55/389209855.db2.gz FDJGBYRXKYJWAM-SMDDNHRTSA-N 1 2 294.355 0.714 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329022 389265195 /nfs/dbraw/zinc/26/51/95/389265195.db2.gz CWFUETBJVYTZLD-KFWWJZLASA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343329022 389265196 /nfs/dbraw/zinc/26/51/96/389265196.db2.gz CWFUETBJVYTZLD-KFWWJZLASA-N 1 2 294.395 0.947 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361421025 389216230 /nfs/dbraw/zinc/21/62/30/389216230.db2.gz QTDKFWPZZBGKGD-LLVKDONJSA-N 1 2 289.326 0.698 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361421025 389216233 /nfs/dbraw/zinc/21/62/33/389216233.db2.gz QTDKFWPZZBGKGD-LLVKDONJSA-N 1 2 289.326 0.698 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000245898008 389219759 /nfs/dbraw/zinc/21/97/59/389219759.db2.gz JJDAEHWREGQAHY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000245898008 389219762 /nfs/dbraw/zinc/21/97/62/389219762.db2.gz JJDAEHWREGQAHY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCN(Cc1[nH+]ccn1C)[C@H]1CCS(=O)(=O)C1 ZINC000330367459 389221650 /nfs/dbraw/zinc/22/16/50/389221650.db2.gz ZTMUHCFDBWQGMX-NSHDSACASA-N 1 2 269.370 0.595 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000330376601 389222514 /nfs/dbraw/zinc/22/25/14/389222514.db2.gz DPUSDBXZHFKJCB-NXEZZACHSA-N 1 2 253.302 0.009 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000330376601 389222515 /nfs/dbraw/zinc/22/25/15/389222515.db2.gz DPUSDBXZHFKJCB-NXEZZACHSA-N 1 2 253.302 0.009 20 30 CCEDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000361863472 389225988 /nfs/dbraw/zinc/22/59/88/389225988.db2.gz WONQWKCPMGFCBR-CQSZACIVSA-N 1 2 278.377 0.791 20 30 CCEDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000361863472 389225990 /nfs/dbraw/zinc/22/59/90/389225990.db2.gz WONQWKCPMGFCBR-CQSZACIVSA-N 1 2 278.377 0.791 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246454414 389228197 /nfs/dbraw/zinc/22/81/97/389228197.db2.gz OURVFVHYXXXHLX-RYUDHWBXSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246454414 389228201 /nfs/dbraw/zinc/22/82/01/389228201.db2.gz OURVFVHYXXXHLX-RYUDHWBXSA-N 1 2 259.371 0.841 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000345810087 389314939 /nfs/dbraw/zinc/31/49/39/389314939.db2.gz FGIFJCXFAVICFB-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000345810087 389314942 /nfs/dbraw/zinc/31/49/42/389314942.db2.gz FGIFJCXFAVICFB-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156324857 389325542 /nfs/dbraw/zinc/32/55/42/389325542.db2.gz BXUZHYUYBREJLC-LBPRGKRZSA-N 1 2 260.297 0.174 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156324857 389325546 /nfs/dbraw/zinc/32/55/46/389325546.db2.gz BXUZHYUYBREJLC-LBPRGKRZSA-N 1 2 260.297 0.174 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000157761799 389333673 /nfs/dbraw/zinc/33/36/73/389333673.db2.gz OURVFVHYXXXHLX-NEPJUHHUSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000157761799 389333675 /nfs/dbraw/zinc/33/36/75/389333675.db2.gz OURVFVHYXXXHLX-NEPJUHHUSA-N 1 2 259.371 0.841 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C#N)C(C)C ZINC000343669393 389269579 /nfs/dbraw/zinc/26/95/79/389269579.db2.gz OYZDZCIEIJPQBP-LLVKDONJSA-N 1 2 268.361 0.107 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C#N)C(C)C ZINC000343669393 389269584 /nfs/dbraw/zinc/26/95/84/389269584.db2.gz OYZDZCIEIJPQBP-LLVKDONJSA-N 1 2 268.361 0.107 20 30 CCEDLO CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264074022 389304840 /nfs/dbraw/zinc/30/48/40/389304840.db2.gz GUYBNQYMVILVMY-LBPRGKRZSA-N 1 2 264.377 0.272 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267370647 389370224 /nfs/dbraw/zinc/37/02/24/389370224.db2.gz JWPVNMOMSPFMBQ-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000267418652 389370930 /nfs/dbraw/zinc/37/09/30/389370930.db2.gz LYKHHKKIOINVOP-WDEREUQCSA-N 1 2 269.345 0.474 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000408400988 389346586 /nfs/dbraw/zinc/34/65/86/389346586.db2.gz ZLHPLKPBDXKOBR-NEPJUHHUSA-N 1 2 265.357 0.858 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000408400988 389346588 /nfs/dbraw/zinc/34/65/88/389346588.db2.gz ZLHPLKPBDXKOBR-NEPJUHHUSA-N 1 2 265.357 0.858 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCOCC2)c1 ZINC000266227402 389364407 /nfs/dbraw/zinc/36/44/07/389364407.db2.gz SXRDZYJSLNGTPV-UHFFFAOYSA-N 1 2 293.323 0.191 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272532673 389468713 /nfs/dbraw/zinc/46/87/13/389468713.db2.gz IRYNXLGMCANOOC-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272532673 389468717 /nfs/dbraw/zinc/46/87/17/389468717.db2.gz IRYNXLGMCANOOC-WDEREUQCSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272532668 389468822 /nfs/dbraw/zinc/46/88/22/389468822.db2.gz IRYNXLGMCANOOC-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272532668 389468825 /nfs/dbraw/zinc/46/88/25/389468825.db2.gz IRYNXLGMCANOOC-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000274114281 389485819 /nfs/dbraw/zinc/48/58/19/389485819.db2.gz WDTCGXDGXFCDAB-NSHDSACASA-N 1 2 263.345 0.666 20 30 CCEDLO C[C@@H](O)CNc1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000413269346 389487373 /nfs/dbraw/zinc/48/73/73/389487373.db2.gz NFJQHNFFZUZWBO-SNVBAGLBSA-N 1 2 261.329 0.797 20 30 CCEDLO C[C@@H](O)CNc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000413269346 389487376 /nfs/dbraw/zinc/48/73/76/389487376.db2.gz NFJQHNFFZUZWBO-SNVBAGLBSA-N 1 2 261.329 0.797 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCCCC(=O)OCC)C1CC1 ZINC000274133671 389488025 /nfs/dbraw/zinc/48/80/25/389488025.db2.gz IRVRIAQFMZNHRX-UHFFFAOYSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CC[N@H+](CC(=O)NCCCC(=O)OCC)C1CC1 ZINC000274133671 389488029 /nfs/dbraw/zinc/48/80/29/389488029.db2.gz IRVRIAQFMZNHRX-UHFFFAOYSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000371450283 389431283 /nfs/dbraw/zinc/43/12/83/389431283.db2.gz KPGVOVSDERJNFM-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000371450283 389431290 /nfs/dbraw/zinc/43/12/90/389431290.db2.gz KPGVOVSDERJNFM-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371449364 389431839 /nfs/dbraw/zinc/43/18/39/389431839.db2.gz VLLPNEYVXQMNJU-QMMMGPOBSA-N 1 2 250.327 0.640 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371449364 389431841 /nfs/dbraw/zinc/43/18/41/389431841.db2.gz VLLPNEYVXQMNJU-QMMMGPOBSA-N 1 2 250.327 0.640 20 30 CCEDLO N#Cc1cc2c(nc1NCCC[N@@H+]1CCNC(=O)C1)CCC2 ZINC000278777181 389562158 /nfs/dbraw/zinc/56/21/58/389562158.db2.gz OWRFVWAXNBBKLA-UHFFFAOYSA-N 1 2 299.378 0.676 20 30 CCEDLO N#Cc1cc2c(nc1NCCC[N@H+]1CCNC(=O)C1)CCC2 ZINC000278777181 389562162 /nfs/dbraw/zinc/56/21/62/389562162.db2.gz OWRFVWAXNBBKLA-UHFFFAOYSA-N 1 2 299.378 0.676 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249580 389612176 /nfs/dbraw/zinc/61/21/76/389612176.db2.gz GSAKDHDGEILGLY-CHWSQXEVSA-N 1 2 281.400 0.960 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249580 389612178 /nfs/dbraw/zinc/61/21/78/389612178.db2.gz GSAKDHDGEILGLY-CHWSQXEVSA-N 1 2 281.400 0.960 20 30 CCEDLO N#CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000178725267 389617186 /nfs/dbraw/zinc/61/71/86/389617186.db2.gz QPHVXDDKSHJQQZ-ZDUSSCGKSA-N 1 2 276.384 0.576 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)c(OC)co2)C1=O ZINC000281509506 389618471 /nfs/dbraw/zinc/61/84/71/389618471.db2.gz YOFVLEDZHSZNRM-LBPRGKRZSA-N 1 2 292.335 0.867 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)c(OC)co2)C1=O ZINC000281509506 389618472 /nfs/dbraw/zinc/61/84/72/389618472.db2.gz YOFVLEDZHSZNRM-LBPRGKRZSA-N 1 2 292.335 0.867 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000424762426 389632120 /nfs/dbraw/zinc/63/21/20/389632120.db2.gz FZGHGOZKIPRRNX-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000424762426 389632125 /nfs/dbraw/zinc/63/21/25/389632125.db2.gz FZGHGOZKIPRRNX-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000426188126 389663093 /nfs/dbraw/zinc/66/30/93/389663093.db2.gz FSGVCZJRPMMMSK-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000426188126 389663097 /nfs/dbraw/zinc/66/30/97/389663097.db2.gz FSGVCZJRPMMMSK-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO COC(=O)C[C@](C)([NH2+]CC(=O)NCC#N)c1ccccn1 ZINC000351813308 389688653 /nfs/dbraw/zinc/68/86/53/389688653.db2.gz HBGGZKZANPXFFC-AWEZNQCLSA-N 1 2 290.323 0.089 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375661504 389697829 /nfs/dbraw/zinc/69/78/29/389697829.db2.gz VRQCBYALMPNYCM-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375661504 389697832 /nfs/dbraw/zinc/69/78/32/389697832.db2.gz VRQCBYALMPNYCM-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399869682 389794809 /nfs/dbraw/zinc/79/48/09/389794809.db2.gz BDXFYWZVLHLZJU-ZDUSSCGKSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399869682 389794812 /nfs/dbraw/zinc/79/48/12/389794812.db2.gz BDXFYWZVLHLZJU-ZDUSSCGKSA-N 1 2 250.273 0.890 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376102428 389729448 /nfs/dbraw/zinc/72/94/48/389729448.db2.gz IASVNWHOOJCXGV-TZMCWYRMSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000416397270 389738579 /nfs/dbraw/zinc/73/85/79/389738579.db2.gz IQFVCQXJWRNYTC-NEPJUHHUSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@H+]1CCOC ZINC000416397270 389738580 /nfs/dbraw/zinc/73/85/80/389738580.db2.gz IQFVCQXJWRNYTC-NEPJUHHUSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000416397271 389738857 /nfs/dbraw/zinc/73/88/57/389738857.db2.gz IQFVCQXJWRNYTC-NWDGAFQWSA-N 1 2 289.401 0.271 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000416397271 389738859 /nfs/dbraw/zinc/73/88/59/389738859.db2.gz IQFVCQXJWRNYTC-NWDGAFQWSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000429146028 389740247 /nfs/dbraw/zinc/74/02/47/389740247.db2.gz XXXVIFDQHGLKKL-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000429146028 389740249 /nfs/dbraw/zinc/74/02/49/389740249.db2.gz XXXVIFDQHGLKKL-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO CC(C)[C@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000352415259 389807706 /nfs/dbraw/zinc/80/77/06/389807706.db2.gz XEAODNOVKWOIFW-RYUDHWBXSA-N 1 2 289.401 0.175 20 30 CCEDLO CN(C)S(=O)(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000352431185 389810147 /nfs/dbraw/zinc/81/01/47/389810147.db2.gz JLEBZKGXDSCHNO-UHFFFAOYSA-N 1 2 286.401 0.104 20 30 CCEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000352431185 389810149 /nfs/dbraw/zinc/81/01/49/389810149.db2.gz JLEBZKGXDSCHNO-UHFFFAOYSA-N 1 2 286.401 0.104 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483802 389818015 /nfs/dbraw/zinc/81/80/15/389818015.db2.gz JQFZTGLJRWPERI-SNVBAGLBSA-N 1 2 282.319 0.714 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661016 389833968 /nfs/dbraw/zinc/83/39/68/389833968.db2.gz QHHPMSGNDIMDPD-JMSVASOKSA-N 1 2 294.399 0.592 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352661016 389833971 /nfs/dbraw/zinc/83/39/71/389833971.db2.gz QHHPMSGNDIMDPD-JMSVASOKSA-N 1 2 294.399 0.592 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353057911 389845284 /nfs/dbraw/zinc/84/52/84/389845284.db2.gz YISBTRFYMSSSBV-TZMCWYRMSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353057911 389845287 /nfs/dbraw/zinc/84/52/87/389845287.db2.gz YISBTRFYMSSSBV-TZMCWYRMSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433287996 389907617 /nfs/dbraw/zinc/90/76/17/389907617.db2.gz MOVOMXCIFLWDRN-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433287996 389907619 /nfs/dbraw/zinc/90/76/19/389907619.db2.gz MOVOMXCIFLWDRN-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433321380 389908718 /nfs/dbraw/zinc/90/87/18/389908718.db2.gz NLNCQPJYJTXIKH-SNVBAGLBSA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433321380 389908719 /nfs/dbraw/zinc/90/87/19/389908719.db2.gz NLNCQPJYJTXIKH-SNVBAGLBSA-N 1 2 266.345 0.868 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939808 390038560 /nfs/dbraw/zinc/03/85/60/390038560.db2.gz NPGHEJRNMVQSHM-NWDGAFQWSA-N 1 2 295.383 0.409 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939808 390038563 /nfs/dbraw/zinc/03/85/63/390038563.db2.gz NPGHEJRNMVQSHM-NWDGAFQWSA-N 1 2 295.383 0.409 20 30 CCEDLO C#CCN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000491325367 390111988 /nfs/dbraw/zinc/11/19/88/390111988.db2.gz BWJDZEGMMORXIL-UHFFFAOYSA-N 1 2 278.747 0.699 20 30 CCEDLO C#CC[N@@H+](C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491382200 390112708 /nfs/dbraw/zinc/11/27/08/390112708.db2.gz HWDBTZHLJCJMNL-OLZOCXBDSA-N 1 2 271.382 0.534 20 30 CCEDLO C#CC[N@H+](C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491382200 390112709 /nfs/dbraw/zinc/11/27/09/390112709.db2.gz HWDBTZHLJCJMNL-OLZOCXBDSA-N 1 2 271.382 0.534 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC=C)CCC#N)CC1 ZINC000491660490 390115575 /nfs/dbraw/zinc/11/55/75/390115575.db2.gz JVEBCLAYMRETAD-UHFFFAOYSA-N 1 2 274.368 0.165 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000491663782 390115583 /nfs/dbraw/zinc/11/55/83/390115583.db2.gz HGKCQAVNJKOOQK-ZDUSSCGKSA-N 1 2 295.408 0.773 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000491663782 390115584 /nfs/dbraw/zinc/11/55/84/390115584.db2.gz HGKCQAVNJKOOQK-ZDUSSCGKSA-N 1 2 295.408 0.773 20 30 CCEDLO C=CCNC(=O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579117059 390143281 /nfs/dbraw/zinc/14/32/81/390143281.db2.gz HHQZPFDLUHGUNT-SNVBAGLBSA-N 1 2 250.302 0.253 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000644202092 390163108 /nfs/dbraw/zinc/16/31/08/390163108.db2.gz DXRULFCCYMTBAE-UHFFFAOYSA-N 1 2 290.429 0.671 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000644202092 390163110 /nfs/dbraw/zinc/16/31/10/390163110.db2.gz DXRULFCCYMTBAE-UHFFFAOYSA-N 1 2 290.429 0.671 20 30 CCEDLO Cc1ccn2cc(CNC(=O)Cn3cnc(C#N)n3)[nH+]c2c1 ZINC000495089071 390216486 /nfs/dbraw/zinc/21/64/86/390216486.db2.gz FUADWDZTJAHKPI-UHFFFAOYSA-N 1 2 295.306 0.422 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1[nH+]ccn1CC ZINC000645525992 390441880 /nfs/dbraw/zinc/44/18/80/390441880.db2.gz JXPWTRLLONYISS-LLVKDONJSA-N 1 2 264.329 0.477 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000645407424 390422105 /nfs/dbraw/zinc/42/21/05/390422105.db2.gz VUSMBUCRYFPMMK-NSHDSACASA-N 1 2 277.372 0.709 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000645407424 390422107 /nfs/dbraw/zinc/42/21/07/390422107.db2.gz VUSMBUCRYFPMMK-NSHDSACASA-N 1 2 277.372 0.709 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000645200323 390387118 /nfs/dbraw/zinc/38/71/18/390387118.db2.gz SNQYBGCBFVMBIK-ZDUSSCGKSA-N 1 2 278.356 0.737 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000565051399 390499643 /nfs/dbraw/zinc/49/96/43/390499643.db2.gz NDMWDYXQIYGBDW-OAHLLOKOSA-N 1 2 298.350 0.841 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000649181578 390510939 /nfs/dbraw/zinc/51/09/39/390510939.db2.gz DIXYLYDGJSIGIQ-RBSFLKMASA-N 1 2 296.411 0.766 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000649181578 390510942 /nfs/dbraw/zinc/51/09/42/390510942.db2.gz DIXYLYDGJSIGIQ-RBSFLKMASA-N 1 2 296.411 0.766 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482918 390455805 /nfs/dbraw/zinc/45/58/05/390455805.db2.gz MYQMRUPKTBKRGL-NQBHXWOUSA-N 1 2 253.346 0.762 20 30 CCEDLO N#CC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000515401068 390475725 /nfs/dbraw/zinc/47/57/25/390475725.db2.gz UGSMNHFETVFEPC-ZDUSSCGKSA-N 1 2 292.383 0.796 20 30 CCEDLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000520806318 390589435 /nfs/dbraw/zinc/58/94/35/390589435.db2.gz OSGWHYILYWXFNR-JHJVBQTASA-N 1 2 275.308 0.088 20 30 CCEDLO COCc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000570048336 390717200 /nfs/dbraw/zinc/71/72/00/390717200.db2.gz QVKFMYBMQSNFJV-LBPRGKRZSA-N 1 2 266.301 0.395 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000570712104 390719300 /nfs/dbraw/zinc/71/93/00/390719300.db2.gz IMWGPKHDDQGDNC-IHRRRGAJSA-N 1 2 296.415 0.123 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000570712104 390719301 /nfs/dbraw/zinc/71/93/01/390719301.db2.gz IMWGPKHDDQGDNC-IHRRRGAJSA-N 1 2 296.415 0.123 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)c(N)n3)CC2)cn1 ZINC000571938789 390760811 /nfs/dbraw/zinc/76/08/11/390760811.db2.gz IILIVZMZWLVAOF-UHFFFAOYSA-N 1 2 297.366 0.591 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CCC1 ZINC000530342881 390876558 /nfs/dbraw/zinc/87/65/58/390876558.db2.gz WUDGYCJKWQAIGU-LOWVWBTDSA-N 1 2 290.367 0.135 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CCC1 ZINC000530342881 390876560 /nfs/dbraw/zinc/87/65/60/390876560.db2.gz WUDGYCJKWQAIGU-LOWVWBTDSA-N 1 2 290.367 0.135 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000359198610 144201138 /nfs/dbraw/zinc/20/11/38/144201138.db2.gz WBNYQUFLAYNQIL-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000359198610 144201140 /nfs/dbraw/zinc/20/11/40/144201140.db2.gz WBNYQUFLAYNQIL-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369416465 144268575 /nfs/dbraw/zinc/26/85/75/144268575.db2.gz GWJHZSKRJAGWHE-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369416465 144268577 /nfs/dbraw/zinc/26/85/77/144268577.db2.gz GWJHZSKRJAGWHE-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)ccc1C#N ZINC000282337046 286220535 /nfs/dbraw/zinc/22/05/35/286220535.db2.gz ONUHSCGCGAFOIP-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)ccc1C#N ZINC000282337046 286220536 /nfs/dbraw/zinc/22/05/36/286220536.db2.gz ONUHSCGCGAFOIP-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329627434 287191012 /nfs/dbraw/zinc/19/10/12/287191012.db2.gz PIFQKXHRNSYKFK-BDAKNGLRSA-N 1 2 277.328 0.842 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329627434 287191015 /nfs/dbraw/zinc/19/10/15/287191015.db2.gz PIFQKXHRNSYKFK-BDAKNGLRSA-N 1 2 277.328 0.842 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccccc2C#N)C1 ZINC000284554113 196084004 /nfs/dbraw/zinc/08/40/04/196084004.db2.gz LQTMDZOIBIXDFB-STQMWFEESA-N 1 2 259.309 0.633 20 30 CCEDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccccc2C#N)C1 ZINC000284554113 196084005 /nfs/dbraw/zinc/08/40/05/196084005.db2.gz LQTMDZOIBIXDFB-STQMWFEESA-N 1 2 259.309 0.633 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000020294716 171135571 /nfs/dbraw/zinc/13/55/71/171135571.db2.gz PFDVZAKJBFIMQG-GFCCVEGCSA-N 1 2 272.308 0.446 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000020294716 171135573 /nfs/dbraw/zinc/13/55/73/171135573.db2.gz PFDVZAKJBFIMQG-GFCCVEGCSA-N 1 2 272.308 0.446 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NC)CC2)nn1 ZINC000653484930 412305865 /nfs/dbraw/zinc/30/58/65/412305865.db2.gz MDWAOFNJAFBZIE-UHFFFAOYSA-N 1 2 277.372 0.812 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nn1 ZINC000653636965 412327496 /nfs/dbraw/zinc/32/74/96/412327496.db2.gz YFUCUYMGFCQNLZ-YUTCNCBUSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)nn1 ZINC000653636965 412327499 /nfs/dbraw/zinc/32/74/99/412327499.db2.gz YFUCUYMGFCQNLZ-YUTCNCBUSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)nn1 ZINC000653661236 412333506 /nfs/dbraw/zinc/33/35/06/412333506.db2.gz HHZBRBOMFWRFLN-PWSUYJOCSA-N 1 2 263.345 0.468 20 30 CCEDLO COCC#CC[N@@H+](CCOC)C[C@@H](O)C(F)(F)F ZINC000653788084 412348060 /nfs/dbraw/zinc/34/80/60/412348060.db2.gz NCEFDVNUNKQRJF-SNVBAGLBSA-N 1 2 269.263 0.508 20 30 CCEDLO COCC#CC[N@H+](CCOC)C[C@@H](O)C(F)(F)F ZINC000653788084 412348062 /nfs/dbraw/zinc/34/80/62/412348062.db2.gz NCEFDVNUNKQRJF-SNVBAGLBSA-N 1 2 269.263 0.508 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCn3nncc3C2)nn1 ZINC000653793086 412349720 /nfs/dbraw/zinc/34/97/20/412349720.db2.gz CUYBIDDIHSWIRZ-UHFFFAOYSA-N 1 2 259.317 0.462 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCn3nncc3C2)nn1 ZINC000653793086 412349723 /nfs/dbraw/zinc/34/97/23/412349723.db2.gz CUYBIDDIHSWIRZ-UHFFFAOYSA-N 1 2 259.317 0.462 20 30 CCEDLO C=CCOCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660705886 414453168 /nfs/dbraw/zinc/45/31/68/414453168.db2.gz GSZPQDKJRARSHG-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660708293 414456394 /nfs/dbraw/zinc/45/63/94/414456394.db2.gz WVVHWOVDGUDGCC-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000661572173 414645228 /nfs/dbraw/zinc/64/52/28/414645228.db2.gz WMPMZKVWESTGQB-GFCCVEGCSA-N 1 2 294.399 0.557 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C#N)CCC2)C1 ZINC000333928793 260071437 /nfs/dbraw/zinc/07/14/37/260071437.db2.gz XTEJYDTVAADSMJ-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C#N)CCC2)C1 ZINC000333928793 260071438 /nfs/dbraw/zinc/07/14/38/260071438.db2.gz XTEJYDTVAADSMJ-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329966156 228000406 /nfs/dbraw/zinc/00/04/06/228000406.db2.gz RPJSCSWNENEOSF-PJXYFTJBSA-N 1 2 276.340 0.868 20 30 CCEDLO C[C@@H]1COCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000330306222 228122251 /nfs/dbraw/zinc/12/22/51/228122251.db2.gz RIBPPZUXWIRCQP-VXGBXAGGSA-N 1 2 271.361 0.247 20 30 CCEDLO [O-]C(NCCn1cc[nH+]c1)=[NH+][C@@H]1C=C[C@H](CO)C1 ZINC000330080810 228034549 /nfs/dbraw/zinc/03/45/49/228034549.db2.gz JPFQOUPCFOCGOH-WDEREUQCSA-N 1 2 250.302 0.324 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000330080810 228034551 /nfs/dbraw/zinc/03/45/51/228034551.db2.gz JPFQOUPCFOCGOH-WDEREUQCSA-N 1 2 250.302 0.324 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@H](O)C1CC1 ZINC000330244677 228077621 /nfs/dbraw/zinc/07/76/21/228077621.db2.gz DJGVRHAJIIPIEW-QWRGUYRKSA-N 1 2 264.329 0.472 20 30 CCEDLO [O-]C(NC[C@H](O)C1CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330244677 228077623 /nfs/dbraw/zinc/07/76/23/228077623.db2.gz DJGVRHAJIIPIEW-QWRGUYRKSA-N 1 2 264.329 0.472 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000052659215 544439397 /nfs/dbraw/zinc/43/93/97/544439397.db2.gz IJUVVDVKKQJAGJ-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000052659215 544439403 /nfs/dbraw/zinc/43/94/03/544439403.db2.gz IJUVVDVKKQJAGJ-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC000329218867 545021143 /nfs/dbraw/zinc/02/11/43/545021143.db2.gz ALINJENUKYIYTL-LBPRGKRZSA-N 1 2 282.388 0.201 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC000329218867 545021145 /nfs/dbraw/zinc/02/11/45/545021145.db2.gz ALINJENUKYIYTL-LBPRGKRZSA-N 1 2 282.388 0.201 20 30 CCEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000329302525 545021805 /nfs/dbraw/zinc/02/18/05/545021805.db2.gz WLSMBFKIPATAAS-RWMBFGLXSA-N 1 2 285.388 0.636 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)CC2CCOCC2)CC1 ZINC000329613041 545024178 /nfs/dbraw/zinc/02/41/78/545024178.db2.gz CPWVLBGOONVEEQ-UHFFFAOYSA-N 1 2 297.399 0.924 20 30 CCEDLO Cc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)n(C)n1 ZINC000329639040 545024532 /nfs/dbraw/zinc/02/45/32/545024532.db2.gz ZCKWLTYGJBRONQ-UHFFFAOYSA-N 1 2 274.328 0.855 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1nn(C)cc1C#N ZINC000610528212 420494704 /nfs/dbraw/zinc/49/47/04/420494704.db2.gz WXLSUUZZQBJDMB-UHFFFAOYSA-N 1 2 292.343 0.088 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C(N)=O)n2c1 ZINC000179579511 260055619 /nfs/dbraw/zinc/05/56/19/260055619.db2.gz MDMSLEQKLXNZTL-GFCCVEGCSA-N 1 2 269.308 0.656 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3C(N)=O)n2c1 ZINC000179579511 260055620 /nfs/dbraw/zinc/05/56/20/260055620.db2.gz MDMSLEQKLXNZTL-GFCCVEGCSA-N 1 2 269.308 0.656 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCC[N@H+]1CCOC[C@@H]1C ZINC000188324725 260127600 /nfs/dbraw/zinc/12/76/00/260127600.db2.gz SZBWYAPMFATGSF-JTQLQIEISA-N 1 2 284.385 0.570 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000188324725 260127601 /nfs/dbraw/zinc/12/76/01/260127601.db2.gz SZBWYAPMFATGSF-JTQLQIEISA-N 1 2 284.385 0.570 20 30 CCEDLO CC[C@H](C(=O)N1CCOC[C@@H]1C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000407995096 260158519 /nfs/dbraw/zinc/15/85/19/260158519.db2.gz GBKSVFIWFFBPTK-BFHYXJOUSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@H](C(=O)N1CCOC[C@@H]1C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000407995096 260158520 /nfs/dbraw/zinc/15/85/20/260158520.db2.gz GBKSVFIWFFBPTK-BFHYXJOUSA-N 1 2 295.383 0.627 20 30 CCEDLO CC(C)NS(=O)(=O)N1CC[NH+](CCCC#N)CC1 ZINC000408011102 260171075 /nfs/dbraw/zinc/17/10/75/260171075.db2.gz SCVPPLKKFJUCHK-UHFFFAOYSA-N 1 2 274.390 0.151 20 30 CCEDLO N#CCC[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000516927267 260291408 /nfs/dbraw/zinc/29/14/08/260291408.db2.gz FZSKIDUAWOJRMQ-SECBINFHSA-N 1 2 274.367 0.386 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccco3)n2)C1 ZINC000081342696 260332236 /nfs/dbraw/zinc/33/22/36/260332236.db2.gz JJLVIEQCYKYYSV-VIFPVBQESA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccco3)n2)C1 ZINC000081342696 260332237 /nfs/dbraw/zinc/33/22/37/260332237.db2.gz JJLVIEQCYKYYSV-VIFPVBQESA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000081342696 260332239 /nfs/dbraw/zinc/33/22/39/260332239.db2.gz JJLVIEQCYKYYSV-VIFPVBQESA-N 1 2 277.284 0.983 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000081342696 260332241 /nfs/dbraw/zinc/33/22/41/260332241.db2.gz JJLVIEQCYKYYSV-VIFPVBQESA-N 1 2 277.284 0.983 20 30 CCEDLO C[C@H]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000151228155 260594857 /nfs/dbraw/zinc/59/48/57/260594857.db2.gz JGICUJFMCQLXEV-KBPBESRZSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CC#N)CC2)S1 ZINC000153895093 261084428 /nfs/dbraw/zinc/08/44/28/261084428.db2.gz YDDNOGLBLYVRRP-SECBINFHSA-N 1 2 252.343 0.536 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)N(C)C ZINC000302587992 261262934 /nfs/dbraw/zinc/26/29/34/261262934.db2.gz FSMGHSUVJGVGHG-GFCCVEGCSA-N 1 2 294.399 0.738 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)N(C)C ZINC000302587992 261262936 /nfs/dbraw/zinc/26/29/36/261262936.db2.gz FSMGHSUVJGVGHG-GFCCVEGCSA-N 1 2 294.399 0.738 20 30 CCEDLO C#CCN(C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491119734 261335480 /nfs/dbraw/zinc/33/54/80/261335480.db2.gz JMJSPDXMGOWYGU-UHFFFAOYSA-N 1 2 270.292 0.673 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000491202269 261369267 /nfs/dbraw/zinc/36/92/67/261369267.db2.gz NFLFJYJPXVQEBI-NSHDSACASA-N 1 2 294.355 0.738 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000491202269 261369268 /nfs/dbraw/zinc/36/92/68/261369268.db2.gz NFLFJYJPXVQEBI-NSHDSACASA-N 1 2 294.355 0.738 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491977737 262170740 /nfs/dbraw/zinc/17/07/40/262170740.db2.gz IQWAQPIVVRZPNQ-JTQLQIEISA-N 1 2 255.343 0.693 20 30 CCEDLO C=CC[N@H+](C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336710625 262381914 /nfs/dbraw/zinc/38/19/14/262381914.db2.gz MYNQZXOJQNUJTC-VXGBXAGGSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336710625 262381915 /nfs/dbraw/zinc/38/19/15/262381915.db2.gz MYNQZXOJQNUJTC-VXGBXAGGSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CCOC[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OC ZINC000339172381 262609231 /nfs/dbraw/zinc/60/92/31/262609231.db2.gz YVLSYCZCFSJZHY-LBPRGKRZSA-N 1 2 295.339 0.213 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000339419581 262639959 /nfs/dbraw/zinc/63/99/59/262639959.db2.gz KXCOMIFAVDNBBO-LBPRGKRZSA-N 1 2 261.329 0.711 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000339419581 262639961 /nfs/dbraw/zinc/63/99/61/262639961.db2.gz KXCOMIFAVDNBBO-LBPRGKRZSA-N 1 2 261.329 0.711 20 30 CCEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284428308 263086782 /nfs/dbraw/zinc/08/67/82/263086782.db2.gz OOYHXCZKGFOKAX-NSHDSACASA-N 1 2 267.329 0.655 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340221442 263097170 /nfs/dbraw/zinc/09/71/70/263097170.db2.gz KBAAKOSSQQFFIP-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340221442 263097171 /nfs/dbraw/zinc/09/71/71/263097171.db2.gz KBAAKOSSQQFFIP-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000340227508 263097973 /nfs/dbraw/zinc/09/79/73/263097973.db2.gz DFHQYYVKLGKDIX-UHFFFAOYSA-N 1 2 290.367 0.798 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340235037 263098909 /nfs/dbraw/zinc/09/89/09/263098909.db2.gz IJOUYNNSRAWTMY-UHFFFAOYSA-N 1 2 290.367 0.798 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2cnnn2C)cs1 ZINC000289431362 263110071 /nfs/dbraw/zinc/11/00/71/263110071.db2.gz RYCBUPJJAUAJHE-UHFFFAOYSA-N 1 2 266.330 0.612 20 30 CCEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000121207815 263292785 /nfs/dbraw/zinc/29/27/85/263292785.db2.gz MCFNTXPQLHYHAO-NSHDSACASA-N 1 2 259.375 0.694 20 30 CCEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCC#N ZINC000121207815 263292787 /nfs/dbraw/zinc/29/27/87/263292787.db2.gz MCFNTXPQLHYHAO-NSHDSACASA-N 1 2 259.375 0.694 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCCCn1cc[nH+]c1 ZINC000340744872 263304388 /nfs/dbraw/zinc/30/43/88/263304388.db2.gz PETOHFOYDDXOGM-LBPRGKRZSA-N 1 2 266.345 0.757 20 30 CCEDLO CC[C@](C)(O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330632444 264000240 /nfs/dbraw/zinc/00/02/40/264000240.db2.gz ICUSHQPVZDONQE-AWEZNQCLSA-N 1 2 287.404 0.762 20 30 CCEDLO CC[C@](C)(O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330632444 264000242 /nfs/dbraw/zinc/00/02/42/264000242.db2.gz ICUSHQPVZDONQE-AWEZNQCLSA-N 1 2 287.404 0.762 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330762102 264031964 /nfs/dbraw/zinc/03/19/64/264031964.db2.gz NRZFKJYKVKJOLG-NSHDSACASA-N 1 2 293.371 0.568 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330762102 264031965 /nfs/dbraw/zinc/03/19/65/264031965.db2.gz NRZFKJYKVKJOLG-NSHDSACASA-N 1 2 293.371 0.568 20 30 CCEDLO CN(C[C@H](O)C(F)(F)F)C(=O)NCc1[nH+]ccn1C ZINC000330831610 264049566 /nfs/dbraw/zinc/04/95/66/264049566.db2.gz HBVPEOIFVZFIHN-ZETCQYMHSA-N 1 2 280.250 0.689 20 30 CCEDLO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000331028529 264100270 /nfs/dbraw/zinc/10/02/70/264100270.db2.gz WVWVKCNWPVOEES-SNVBAGLBSA-N 1 2 281.360 0.633 20 30 CCEDLO CSc1c(C(=O)NCC[NH+]2CCOCC2)cnn1C ZINC000331080424 264116433 /nfs/dbraw/zinc/11/64/33/264116433.db2.gz NUWLTCULUHOHKX-UHFFFAOYSA-N 1 2 284.385 0.779 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)C1 ZINC000331103217 264124545 /nfs/dbraw/zinc/12/45/45/264124545.db2.gz DKHYOJINRHDGEA-NEPJUHHUSA-N 1 2 287.404 0.618 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)C1 ZINC000331103217 264124546 /nfs/dbraw/zinc/12/45/46/264124546.db2.gz DKHYOJINRHDGEA-NEPJUHHUSA-N 1 2 287.404 0.618 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000331131626 264149163 /nfs/dbraw/zinc/14/91/63/264149163.db2.gz GUNSKOCQQSDHOF-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000331131626 264149166 /nfs/dbraw/zinc/14/91/66/264149166.db2.gz GUNSKOCQQSDHOF-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000331131629 264149221 /nfs/dbraw/zinc/14/92/21/264149221.db2.gz GUNSKOCQQSDHOF-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000331131629 264149222 /nfs/dbraw/zinc/14/92/22/264149222.db2.gz GUNSKOCQQSDHOF-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000331194464 264158643 /nfs/dbraw/zinc/15/86/43/264158643.db2.gz MSGXSQVEVNSKEJ-JSGCOSHPSA-N 1 2 268.357 0.247 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N(C)CCCO)[NH+]1CCOCC1 ZINC000331285860 264172593 /nfs/dbraw/zinc/17/25/93/264172593.db2.gz YCEQWFFBICGTAQ-NWDGAFQWSA-N 1 2 273.377 0.324 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251515950 264279314 /nfs/dbraw/zinc/27/93/14/264279314.db2.gz CJJPEASWKXHBNI-SRVKXCTJSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251515950 264279316 /nfs/dbraw/zinc/27/93/16/264279316.db2.gz CJJPEASWKXHBNI-SRVKXCTJSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251515952 264279800 /nfs/dbraw/zinc/27/98/00/264279800.db2.gz CJJPEASWKXHBNI-WOPDTQHZSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251515952 264279802 /nfs/dbraw/zinc/27/98/02/264279802.db2.gz CJJPEASWKXHBNI-WOPDTQHZSA-N 1 2 256.346 0.413 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000251862828 264296437 /nfs/dbraw/zinc/29/64/37/264296437.db2.gz OJTGDAQDJXOLGJ-AVGNSLFASA-N 1 2 283.372 0.483 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000251862828 264296439 /nfs/dbraw/zinc/29/64/39/264296439.db2.gz OJTGDAQDJXOLGJ-AVGNSLFASA-N 1 2 283.372 0.483 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425461392 264333978 /nfs/dbraw/zinc/33/39/78/264333978.db2.gz BNBAGBONJNJADB-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425461392 264333982 /nfs/dbraw/zinc/33/39/82/264333982.db2.gz BNBAGBONJNJADB-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](C(N)=O)O1 ZINC000192071509 264554603 /nfs/dbraw/zinc/55/46/03/264554603.db2.gz OSWPJVPNLVVDIE-OCCSQVGLSA-N 1 2 258.321 0.613 20 30 CCEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](C(N)=O)O1 ZINC000192071509 264554604 /nfs/dbraw/zinc/55/46/04/264554604.db2.gz OSWPJVPNLVVDIE-OCCSQVGLSA-N 1 2 258.321 0.613 20 30 CCEDLO C=CCCC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000356546286 266135556 /nfs/dbraw/zinc/13/55/56/266135556.db2.gz IQEADGZVQYUPSI-UHFFFAOYSA-N 1 2 279.384 0.671 20 30 CCEDLO C=CCCC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000356546286 266135560 /nfs/dbraw/zinc/13/55/60/266135560.db2.gz IQEADGZVQYUPSI-UHFFFAOYSA-N 1 2 279.384 0.671 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219369726 267007077 /nfs/dbraw/zinc/00/70/77/267007077.db2.gz KAERCWNCFPPFNY-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219369726 267007081 /nfs/dbraw/zinc/00/70/81/267007081.db2.gz KAERCWNCFPPFNY-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362693348 267036292 /nfs/dbraw/zinc/03/62/92/267036292.db2.gz YHJFGHORKYUIFP-GFCCVEGCSA-N 1 2 287.385 0.026 20 30 CCEDLO C#CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367501125 267095172 /nfs/dbraw/zinc/09/51/72/267095172.db2.gz VJQFRSGLGUVUFF-NWDGAFQWSA-N 1 2 251.330 0.124 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368573146 267187937 /nfs/dbraw/zinc/18/79/37/267187937.db2.gz FLTPGJNAEOFVQJ-QMMMGPOBSA-N 1 2 254.302 0.431 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000375922440 267922707 /nfs/dbraw/zinc/92/27/07/267922707.db2.gz VQLLLQRYVHWIJO-NFAWXSAZSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000375922440 267922710 /nfs/dbraw/zinc/92/27/10/267922710.db2.gz VQLLLQRYVHWIJO-NFAWXSAZSA-N 1 2 295.383 0.627 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000330168353 279166263 /nfs/dbraw/zinc/16/62/63/279166263.db2.gz ZYUAQBIDCGPLFC-GHMZBOCLSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000330168353 279166264 /nfs/dbraw/zinc/16/62/64/279166264.db2.gz ZYUAQBIDCGPLFC-GHMZBOCLSA-N 1 2 277.328 0.345 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CC1 ZINC000580111453 327701521 /nfs/dbraw/zinc/70/15/21/327701521.db2.gz KVBONBBKPXDHME-OLZOCXBDSA-N 1 2 292.383 0.795 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412440688 328111237 /nfs/dbraw/zinc/11/12/37/328111237.db2.gz DPHRFNMSQPLGIW-HNNXBMFYSA-N 1 2 297.399 0.732 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000267619350 328179877 /nfs/dbraw/zinc/17/98/77/328179877.db2.gz MGHNSDADAFPCHB-CQSZACIVSA-N 1 2 262.309 0.782 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000267619350 328179878 /nfs/dbraw/zinc/17/98/78/328179878.db2.gz MGHNSDADAFPCHB-CQSZACIVSA-N 1 2 262.309 0.782 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000049442086 328361467 /nfs/dbraw/zinc/36/14/67/328361467.db2.gz YYOIELJBXDQLIJ-GFCCVEGCSA-N 1 2 292.408 0.399 20 30 CCEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000182408278 328509233 /nfs/dbraw/zinc/50/92/33/328509233.db2.gz QWZRHUPWNYBUPR-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO N#CCC[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000556676426 326958071 /nfs/dbraw/zinc/95/80/71/326958071.db2.gz XYJRQYITOGFPMU-UHFFFAOYSA-N 1 2 272.352 0.838 20 30 CCEDLO N#Cc1nc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[nH]c1C#N ZINC000583439592 327365572 /nfs/dbraw/zinc/36/55/72/327365572.db2.gz ZPRVYRGEXBVTLA-SSDOTTSWSA-N 1 2 296.294 0.205 20 30 CCEDLO Cc1cc(CO[NH+]=C(N)CN2CCOCC2)no1 ZINC000123536368 327376044 /nfs/dbraw/zinc/37/60/44/327376044.db2.gz AZVURIHKJCSUAF-UHFFFAOYSA-N 1 2 254.290 0.104 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125811263 327395737 /nfs/dbraw/zinc/39/57/37/327395737.db2.gz DUCHVYVFBCABSN-NSHDSACASA-N 1 2 275.356 0.776 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125811263 327395738 /nfs/dbraw/zinc/39/57/38/327395738.db2.gz DUCHVYVFBCABSN-NSHDSACASA-N 1 2 275.356 0.776 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)C#N ZINC000562445966 327481872 /nfs/dbraw/zinc/48/18/72/327481872.db2.gz CQBGXWCZERSIDY-VXGBXAGGSA-N 1 2 268.361 0.508 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115605125 328664102 /nfs/dbraw/zinc/66/41/02/328664102.db2.gz WAUHETJMHMZLPP-RYUDHWBXSA-N 1 2 298.350 0.451 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)C2(C#N)CC(C)C2)CC1 ZINC000532610407 328792491 /nfs/dbraw/zinc/79/24/91/328792491.db2.gz KDZAXCMEJGDIKN-UHFFFAOYSA-N 1 2 292.383 0.207 20 30 CCEDLO C#CCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000377614348 329020281 /nfs/dbraw/zinc/02/02/81/329020281.db2.gz HVSQJYAVZJTPIS-AWEZNQCLSA-N 1 2 268.320 0.749 20 30 CCEDLO C#C[C@@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000187723243 329362518 /nfs/dbraw/zinc/36/25/18/329362518.db2.gz LBBLTQFELOUJRC-TZMCWYRMSA-N 1 2 297.424 0.515 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000583221035 329378004 /nfs/dbraw/zinc/37/80/04/329378004.db2.gz ZJUNFOISCQNMDB-VIFPVBQESA-N 1 2 264.329 0.795 20 30 CCEDLO Cc1nn(C(C)(C)C)c(=O)n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000424132380 330264485 /nfs/dbraw/zinc/26/44/85/330264485.db2.gz HXEZPPJSCISZLA-LBPRGKRZSA-N 1 2 295.387 0.315 20 30 CCEDLO Cc1nn(C(C)(C)C)c(=O)n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000424132380 330264487 /nfs/dbraw/zinc/26/44/87/330264487.db2.gz HXEZPPJSCISZLA-LBPRGKRZSA-N 1 2 295.387 0.315 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1COC1 ZINC000451284436 331023201 /nfs/dbraw/zinc/02/32/01/331023201.db2.gz KQJOMRUKQHJZNG-ZDUSSCGKSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1COC1 ZINC000451284436 331023202 /nfs/dbraw/zinc/02/32/02/331023202.db2.gz KQJOMRUKQHJZNG-ZDUSSCGKSA-N 1 2 253.346 0.762 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000451747005 331041005 /nfs/dbraw/zinc/04/10/05/331041005.db2.gz DLITVXKDWKVRGU-YNEHKIRRSA-N 1 2 295.383 0.409 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000451747005 331041006 /nfs/dbraw/zinc/04/10/06/331041006.db2.gz DLITVXKDWKVRGU-YNEHKIRRSA-N 1 2 295.383 0.409 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1[nH+]ccn1CC ZINC000451763623 331041310 /nfs/dbraw/zinc/04/13/10/331041310.db2.gz ZRUJYIZOHRHZFB-NSHDSACASA-N 1 2 299.400 0.719 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000195335620 331170100 /nfs/dbraw/zinc/17/01/00/331170100.db2.gz INFVUUHSIFJPBY-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000457814214 331235258 /nfs/dbraw/zinc/23/52/58/331235258.db2.gz KBHIYTYMXUCQFJ-RYUDHWBXSA-N 1 2 266.345 0.898 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000458310376 331248060 /nfs/dbraw/zinc/24/80/60/331248060.db2.gz UUKIGKAKQKLVQV-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000458310376 331248061 /nfs/dbraw/zinc/24/80/61/331248061.db2.gz UUKIGKAKQKLVQV-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC000459718247 331295607 /nfs/dbraw/zinc/29/56/07/331295607.db2.gz XJOPBTFBKOCXPG-DZGCQCFKSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC000459718247 331295608 /nfs/dbraw/zinc/29/56/08/331295608.db2.gz XJOPBTFBKOCXPG-DZGCQCFKSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459730842 331296584 /nfs/dbraw/zinc/29/65/84/331296584.db2.gz QGZXTRDFZWEXRP-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C=CCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459730842 331296585 /nfs/dbraw/zinc/29/65/85/331296585.db2.gz QGZXTRDFZWEXRP-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000488392133 332003573 /nfs/dbraw/zinc/00/35/73/332003573.db2.gz XPNVNQLHZRUKMI-ZDUSSCGKSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000489633571 332061635 /nfs/dbraw/zinc/06/16/35/332061635.db2.gz MJNCUZRYNSQEAQ-STQMWFEESA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000489633571 332061636 /nfs/dbraw/zinc/06/16/36/332061636.db2.gz MJNCUZRYNSQEAQ-STQMWFEESA-N 1 2 290.429 0.669 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000490539304 332090897 /nfs/dbraw/zinc/09/08/97/332090897.db2.gz GTQLQJMFMYSLMB-SNVBAGLBSA-N 1 2 258.325 0.281 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000490539304 332090899 /nfs/dbraw/zinc/09/08/99/332090899.db2.gz GTQLQJMFMYSLMB-SNVBAGLBSA-N 1 2 258.325 0.281 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NCC(F)(F)F ZINC000490689241 332104522 /nfs/dbraw/zinc/10/45/22/332104522.db2.gz NOCTULDPUJRLMF-UHFFFAOYSA-N 1 2 289.257 0.333 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NCC(F)(F)F ZINC000490689241 332104524 /nfs/dbraw/zinc/10/45/24/332104524.db2.gz NOCTULDPUJRLMF-UHFFFAOYSA-N 1 2 289.257 0.333 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC#N)C2CCCC2)CC1 ZINC000490780248 332115349 /nfs/dbraw/zinc/11/53/49/332115349.db2.gz HRAOMCJTQUJKCO-UHFFFAOYSA-N 1 2 288.395 0.532 20 30 CCEDLO C#CCN(CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490922092 332129446 /nfs/dbraw/zinc/12/94/46/332129446.db2.gz BQLVISDGPZTGRT-CYBMUJFWSA-N 1 2 281.381 0.396 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491041409 332142118 /nfs/dbraw/zinc/14/21/18/332142118.db2.gz YYABOKJCNFBZOK-CYBMUJFWSA-N 1 2 270.336 0.866 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC000491296479 332184207 /nfs/dbraw/zinc/18/42/07/332184207.db2.gz MFWJWEXTCUQUNK-OWBHPGMISA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC000491296479 332184208 /nfs/dbraw/zinc/18/42/08/332184208.db2.gz MFWJWEXTCUQUNK-OWBHPGMISA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000491485925 332220381 /nfs/dbraw/zinc/22/03/81/332220381.db2.gz RLCIQBKEPHMRKJ-JTQLQIEISA-N 1 2 280.328 0.348 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000491485925 332220382 /nfs/dbraw/zinc/22/03/82/332220382.db2.gz RLCIQBKEPHMRKJ-JTQLQIEISA-N 1 2 280.328 0.348 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491555744 332237664 /nfs/dbraw/zinc/23/76/64/332237664.db2.gz TUCSCSVYVVGJGE-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491555744 332237666 /nfs/dbraw/zinc/23/76/66/332237666.db2.gz TUCSCSVYVVGJGE-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCNC(=O)CC[NH+]1CC(OC)(c2ccccc2)C1 ZINC000491630648 332253211 /nfs/dbraw/zinc/25/32/11/332253211.db2.gz NHHUOYFQVYGRNF-UHFFFAOYSA-N 1 2 272.348 0.983 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC(C)(C)C)OC)CC1 ZINC000491642522 332261531 /nfs/dbraw/zinc/26/15/31/332261531.db2.gz XHNIZTMTDOKLSD-UHFFFAOYSA-N 1 2 281.400 0.673 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000491705887 332298828 /nfs/dbraw/zinc/29/88/28/332298828.db2.gz MHPVSZOKEYDGPN-ZIAGYGMSSA-N 1 2 279.311 0.899 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000491705887 332298829 /nfs/dbraw/zinc/29/88/29/332298829.db2.gz MHPVSZOKEYDGPN-ZIAGYGMSSA-N 1 2 279.311 0.899 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491770400 332337292 /nfs/dbraw/zinc/33/72/92/332337292.db2.gz MJBVXJXJOQEAOZ-ZDUSSCGKSA-N 1 2 288.351 0.691 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000491770279 332337335 /nfs/dbraw/zinc/33/73/35/332337335.db2.gz OFBPELVHBUNQBM-CHWSQXEVSA-N 1 2 279.384 0.903 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000491804233 332358171 /nfs/dbraw/zinc/35/81/71/332358171.db2.gz KTMYXSCYEDEGJQ-UHFFFAOYSA-N 1 2 290.342 0.088 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819303 332369387 /nfs/dbraw/zinc/36/93/87/332369387.db2.gz STFUYOFVJGPVLA-OCCSQVGLSA-N 1 2 295.408 0.870 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819303 332369389 /nfs/dbraw/zinc/36/93/89/332369389.db2.gz STFUYOFVJGPVLA-OCCSQVGLSA-N 1 2 295.408 0.870 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000007677268 333097051 /nfs/dbraw/zinc/09/70/51/333097051.db2.gz WTNCATDBIVTSOH-UHFFFAOYSA-N 1 2 288.347 0.811 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000007677268 333097053 /nfs/dbraw/zinc/09/70/53/333097053.db2.gz WTNCATDBIVTSOH-UHFFFAOYSA-N 1 2 288.347 0.811 20 30 CCEDLO CSCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000195166174 333247174 /nfs/dbraw/zinc/24/71/74/333247174.db2.gz GCCUHARDYAEJKE-UHFFFAOYSA-N 1 2 285.413 0.814 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000134853870 334105772 /nfs/dbraw/zinc/10/57/72/334105772.db2.gz YKLPMGGZHBAQSF-NWDGAFQWSA-N 1 2 265.357 0.906 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000248978176 334323394 /nfs/dbraw/zinc/32/33/94/334323394.db2.gz IDAQGAZDUYNOTF-BLVKFPJESA-N 1 2 284.425 0.747 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000248978176 334323395 /nfs/dbraw/zinc/32/33/95/334323395.db2.gz IDAQGAZDUYNOTF-BLVKFPJESA-N 1 2 284.425 0.747 20 30 CCEDLO C=CCCn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)nn1 ZINC000565594750 334577227 /nfs/dbraw/zinc/57/72/27/334577227.db2.gz WUWLJMNXYSJXQA-UHFFFAOYSA-N 1 2 272.312 0.748 20 30 CCEDLO C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)n1cc[nH+]c1 ZINC000577072094 335295381 /nfs/dbraw/zinc/29/53/81/335295381.db2.gz XSTFRRFKXIPARB-QMMMGPOBSA-N 1 2 269.268 0.939 20 30 CCEDLO C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)n1cc[nH+]c1 ZINC000577072094 335295382 /nfs/dbraw/zinc/29/53/82/335295382.db2.gz XSTFRRFKXIPARB-QMMMGPOBSA-N 1 2 269.268 0.939 20 30 CCEDLO Cc1cnc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000329986262 534561620 /nfs/dbraw/zinc/56/16/20/534561620.db2.gz FAJKVDURWGLJCM-SNVBAGLBSA-N 1 2 281.360 0.945 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220773 534676603 /nfs/dbraw/zinc/67/66/03/534676603.db2.gz XNHZPVWTHGELHE-BETUJISGSA-N 1 2 288.351 0.490 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220773 534676605 /nfs/dbraw/zinc/67/66/05/534676605.db2.gz XNHZPVWTHGELHE-BETUJISGSA-N 1 2 288.351 0.490 20 30 CCEDLO Cn1ncc2c1nc(NCC1(CC#N)CC1)[nH+]c2N ZINC000330120040 534836699 /nfs/dbraw/zinc/83/66/99/534836699.db2.gz GETJXODDAVNAKB-UHFFFAOYSA-N 1 2 257.301 0.473 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2n[nH]cc2C)CC1 ZINC000356049500 526539342 /nfs/dbraw/zinc/53/93/42/526539342.db2.gz DOXCQWQJDUPDAX-UHFFFAOYSA-N 1 2 277.372 0.138 20 30 CCEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(N)=O ZINC000352806735 526561643 /nfs/dbraw/zinc/56/16/43/526561643.db2.gz VIQQFYASMPZSOP-JTQLQIEISA-N 1 2 295.339 0.733 20 30 CCEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(N)=O ZINC000352806735 526561650 /nfs/dbraw/zinc/56/16/50/526561650.db2.gz VIQQFYASMPZSOP-JTQLQIEISA-N 1 2 295.339 0.733 20 30 CCEDLO C=CC[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000353786148 527021933 /nfs/dbraw/zinc/02/19/33/527021933.db2.gz LFUDHARZANUKCD-LLVKDONJSA-N 1 2 255.362 0.524 20 30 CCEDLO C=CC[C@@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000353786148 527021935 /nfs/dbraw/zinc/02/19/35/527021935.db2.gz LFUDHARZANUKCD-LLVKDONJSA-N 1 2 255.362 0.524 20 30 CCEDLO C=CCCC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000344582449 527199281 /nfs/dbraw/zinc/19/92/81/527199281.db2.gz MQWQTWUHKGHOPA-CYBMUJFWSA-N 1 2 272.414 0.757 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000668565075 545181908 /nfs/dbraw/zinc/18/19/08/545181908.db2.gz YIDKUUMUAUTKMJ-STQMWFEESA-N 1 2 268.357 0.247 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331364976 528093367 /nfs/dbraw/zinc/09/33/67/528093367.db2.gz BXOYVPFAXOJTJA-UHFFFAOYSA-N 1 2 250.346 0.044 20 30 CCEDLO CCOC(=O)COCCNc1cc(C)[nH+]cc1C#N ZINC000425272753 528824687 /nfs/dbraw/zinc/82/46/87/528824687.db2.gz XDHMLCHYNWFBAY-UHFFFAOYSA-N 1 2 263.297 0.675 20 30 CCEDLO CC(C)[C@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000351952686 529128023 /nfs/dbraw/zinc/12/80/23/529128023.db2.gz WQEZVNCBGATYPD-ZDUSSCGKSA-N 1 2 283.372 0.078 20 30 CCEDLO C#CC[N@@H+](CC#CC)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790287019 581182873 /nfs/dbraw/zinc/18/28/73/581182873.db2.gz JZJHMJAADFLJSS-OAHLLOKOSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@H+](CC#CC)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790287019 581182875 /nfs/dbraw/zinc/18/28/75/581182875.db2.gz JZJHMJAADFLJSS-OAHLLOKOSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000792298051 581257958 /nfs/dbraw/zinc/25/79/58/581257958.db2.gz DBKDEJIWNUPKMX-UHFFFAOYSA-N 1 2 256.327 0.595 20 30 CCEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000792298051 581257960 /nfs/dbraw/zinc/25/79/60/581257960.db2.gz DBKDEJIWNUPKMX-UHFFFAOYSA-N 1 2 256.327 0.595 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000790132618 581177745 /nfs/dbraw/zinc/17/77/45/581177745.db2.gz PNZWXIBTINGGJE-ZDUSSCGKSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CCCCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000780664896 581239037 /nfs/dbraw/zinc/23/90/37/581239037.db2.gz BYCIETOHAVFYMD-UHFFFAOYSA-N 1 2 279.384 0.508 20 30 CCEDLO C#CCCCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000780664896 581239039 /nfs/dbraw/zinc/23/90/39/581239039.db2.gz BYCIETOHAVFYMD-UHFFFAOYSA-N 1 2 279.384 0.508 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781986578 581284099 /nfs/dbraw/zinc/28/40/99/581284099.db2.gz UWBHGKCWIAVWGX-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781986578 581284100 /nfs/dbraw/zinc/28/41/00/581284100.db2.gz UWBHGKCWIAVWGX-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc(C#N)c[nH]1 ZINC000782280460 581295681 /nfs/dbraw/zinc/29/56/81/581295681.db2.gz MJVZXHOSDGRKGT-JTQLQIEISA-N 1 2 263.297 0.764 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCc2cnccn2)CC1 ZINC000793494048 581300248 /nfs/dbraw/zinc/30/02/48/581300248.db2.gz SFUZNEGEJOVILT-UHFFFAOYSA-N 1 2 258.325 0.187 20 30 CCEDLO C=CCNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795134118 581320886 /nfs/dbraw/zinc/32/08/86/581320886.db2.gz YRUNJEAVIDGCCS-RYUDHWBXSA-N 1 2 269.414 0.842 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000794397193 581367141 /nfs/dbraw/zinc/36/71/41/581367141.db2.gz ASZRPEDGBGLBDQ-BXKDBHETSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000794397193 581367144 /nfs/dbraw/zinc/36/71/44/581367144.db2.gz ASZRPEDGBGLBDQ-BXKDBHETSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000794397196 581367454 /nfs/dbraw/zinc/36/74/54/581367454.db2.gz ASZRPEDGBGLBDQ-SKDRFNHKSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000794397196 581367456 /nfs/dbraw/zinc/36/74/56/581367456.db2.gz ASZRPEDGBGLBDQ-SKDRFNHKSA-N 1 2 263.297 0.600 20 30 CCEDLO C#CCOCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000784387840 581382574 /nfs/dbraw/zinc/38/25/74/581382574.db2.gz FPNJXXLCHHPSMC-ZDUSSCGKSA-N 1 2 288.351 0.609 20 30 CCEDLO C[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC(C)(C)C ZINC000795331031 581404092 /nfs/dbraw/zinc/40/40/92/581404092.db2.gz QCCCRVPUJUERTB-SECBINFHSA-N 1 2 265.317 0.470 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796344942 581437842 /nfs/dbraw/zinc/43/78/42/581437842.db2.gz KCUZXNCFYAYRKI-FRRDWIJNSA-N 1 2 254.330 0.795 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796344942 581437844 /nfs/dbraw/zinc/43/78/44/581437844.db2.gz KCUZXNCFYAYRKI-FRRDWIJNSA-N 1 2 254.330 0.795 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000787247902 581462467 /nfs/dbraw/zinc/46/24/67/581462467.db2.gz VCJKKWACCNZAEO-ZYHUDNBSSA-N 1 2 275.308 0.561 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000787247902 581462469 /nfs/dbraw/zinc/46/24/69/581462469.db2.gz VCJKKWACCNZAEO-ZYHUDNBSSA-N 1 2 275.308 0.561 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000797443458 581466799 /nfs/dbraw/zinc/46/67/99/581466799.db2.gz XQHIETRLYQAWQX-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000797443458 581466801 /nfs/dbraw/zinc/46/68/01/581466801.db2.gz XQHIETRLYQAWQX-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787463692 581470564 /nfs/dbraw/zinc/47/05/64/581470564.db2.gz ULTRPEUWFAWGDU-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714922 581475957 /nfs/dbraw/zinc/47/59/57/581475957.db2.gz RDFTXSRNUQWGBY-NWDGAFQWSA-N 1 2 293.367 0.965 20 30 CCEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC1(C#N)CCC1 ZINC000787714922 581475958 /nfs/dbraw/zinc/47/59/58/581475958.db2.gz RDFTXSRNUQWGBY-NWDGAFQWSA-N 1 2 293.367 0.965 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000787775029 581477753 /nfs/dbraw/zinc/47/77/53/581477753.db2.gz MCOWOHXTKQUJTO-ZDUSSCGKSA-N 1 2 269.304 0.404 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000787775029 581477754 /nfs/dbraw/zinc/47/77/54/581477754.db2.gz MCOWOHXTKQUJTO-ZDUSSCGKSA-N 1 2 269.304 0.404 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)nc1 ZINC000728866906 581516624 /nfs/dbraw/zinc/51/66/24/581516624.db2.gz XRDHAMKDOOGZRV-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)nc1 ZINC000728866906 581516629 /nfs/dbraw/zinc/51/66/29/581516629.db2.gz XRDHAMKDOOGZRV-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000753938401 581565743 /nfs/dbraw/zinc/56/57/43/581565743.db2.gz BREVVRBKHOWDSR-TXEJJXNPSA-N 1 2 273.336 0.945 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000734489030 581567668 /nfs/dbraw/zinc/56/76/68/581567668.db2.gz QUUKXNLUDRIDMZ-HNNXBMFYSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000734489030 581567672 /nfs/dbraw/zinc/56/76/72/581567672.db2.gz QUUKXNLUDRIDMZ-HNNXBMFYSA-N 1 2 299.374 0.863 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)nc1 ZINC000729449471 581594504 /nfs/dbraw/zinc/59/45/04/581594504.db2.gz USJRLDMJNZQQAV-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO N#CCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737693099 581604420 /nfs/dbraw/zinc/60/44/20/581604420.db2.gz CNASJRAIBDLXSB-UHFFFAOYSA-N 1 2 283.339 0.902 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@H](COC)C2)c1=S ZINC000739870901 581631093 /nfs/dbraw/zinc/63/10/93/581631093.db2.gz LSNARKUSGYCRAQ-JTQLQIEISA-N 1 2 269.374 0.921 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](COC)C2)c1=S ZINC000739870901 581631095 /nfs/dbraw/zinc/63/10/95/581631095.db2.gz LSNARKUSGYCRAQ-JTQLQIEISA-N 1 2 269.374 0.921 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000592116247 581673509 /nfs/dbraw/zinc/67/35/09/581673509.db2.gz GNZCWEDPOQTEAB-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000592116247 581673512 /nfs/dbraw/zinc/67/35/12/581673512.db2.gz GNZCWEDPOQTEAB-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C)o1 ZINC000769209274 581676337 /nfs/dbraw/zinc/67/63/37/581676337.db2.gz PYEGPMDLHMTIHS-KOLCDFICSA-N 1 2 262.313 0.653 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C)o1 ZINC000769209274 581676338 /nfs/dbraw/zinc/67/63/38/581676338.db2.gz PYEGPMDLHMTIHS-KOLCDFICSA-N 1 2 262.313 0.653 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000756963435 581686956 /nfs/dbraw/zinc/68/69/56/581686956.db2.gz UDOSMKJXJBVDNW-UHFFFAOYSA-N 1 2 292.408 0.631 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000769961021 581717796 /nfs/dbraw/zinc/71/77/96/581717796.db2.gz LQCNOUOGMDBVEG-JTQLQIEISA-N 1 2 270.354 0.983 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000769961021 581717801 /nfs/dbraw/zinc/71/78/01/581717801.db2.gz LQCNOUOGMDBVEG-JTQLQIEISA-N 1 2 270.354 0.983 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000762035476 581721332 /nfs/dbraw/zinc/72/13/32/581721332.db2.gz AEUYCTCTUSGWCV-QWRGUYRKSA-N 1 2 264.325 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000762035476 581721333 /nfs/dbraw/zinc/72/13/33/581721333.db2.gz AEUYCTCTUSGWCV-QWRGUYRKSA-N 1 2 264.325 0.294 20 30 CCEDLO Cn1cc(C[N@H+](C)Cn2cccc(C#N)c2=O)cn1 ZINC000758209170 581727041 /nfs/dbraw/zinc/72/70/41/581727041.db2.gz ZMKGRYCJOOKFSL-UHFFFAOYSA-N 1 2 257.297 0.543 20 30 CCEDLO Cn1cc(C[N@@H+](C)Cn2cccc(C#N)c2=O)cn1 ZINC000758209170 581727044 /nfs/dbraw/zinc/72/70/44/581727044.db2.gz ZMKGRYCJOOKFSL-UHFFFAOYSA-N 1 2 257.297 0.543 20 30 CCEDLO C#CCNC(=S)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000758230753 581729571 /nfs/dbraw/zinc/72/95/71/581729571.db2.gz UDXNGBIHHNJFRL-WDEREUQCSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000758250153 581732464 /nfs/dbraw/zinc/73/24/64/581732464.db2.gz BYHVXGAALFGRNJ-LLVKDONJSA-N 1 2 260.366 0.758 20 30 CCEDLO C[C@H]1C[C@H]1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758363049 581741328 /nfs/dbraw/zinc/74/13/28/581741328.db2.gz VFDMMENMNCXKRE-QWRGUYRKSA-N 1 2 270.402 0.425 20 30 CCEDLO CC#CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000788155552 581751009 /nfs/dbraw/zinc/75/10/09/581751009.db2.gz UNMQJWPHOJNBKN-LBPRGKRZSA-N 1 2 277.324 0.735 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000741750715 581761675 /nfs/dbraw/zinc/76/16/75/581761675.db2.gz YKDYKEUCJQWOKT-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000759081622 581782019 /nfs/dbraw/zinc/78/20/19/581782019.db2.gz NJFCRSPDRHAZRQ-UHFFFAOYSA-N 1 2 282.369 0.923 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000771035723 581784391 /nfs/dbraw/zinc/78/43/91/581784391.db2.gz UOGDDPLOCPQJEO-AWEZNQCLSA-N 1 2 285.347 0.610 20 30 CCEDLO Cc1cccn2cc(CC(=O)OCC(=O)NCC#N)[nH+]c12 ZINC000732355325 581821072 /nfs/dbraw/zinc/82/10/72/581821072.db2.gz ACHQZXSRNUGHOS-UHFFFAOYSA-N 1 2 286.291 0.368 20 30 CCEDLO C#CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000743909753 581829265 /nfs/dbraw/zinc/82/92/65/581829265.db2.gz IAGGDHHLYTWHHX-UHFFFAOYSA-N 1 2 284.319 0.960 20 30 CCEDLO CC(=CS(C)(=O)=O)NNc1nc(C)cc(C)[nH+]1 ZINC000732527140 581833863 /nfs/dbraw/zinc/83/38/63/581833863.db2.gz JSFDTVBSAUERNY-UHFFFAOYSA-N 1 2 256.331 0.926 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1 ZINC000744422274 581841916 /nfs/dbraw/zinc/84/19/16/581841916.db2.gz KAOKATZEVODXPH-UHFFFAOYSA-N 1 2 297.362 0.737 20 30 CCEDLO N#Cc1cnn(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c1N ZINC000760197057 581848866 /nfs/dbraw/zinc/84/88/66/581848866.db2.gz SMAHWVAFKRCPJL-UHFFFAOYSA-N 1 2 279.263 0.606 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000760330685 581855258 /nfs/dbraw/zinc/85/52/58/581855258.db2.gz CLMKITGUFYSQPM-KGLIPLIRSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000760330687 581855529 /nfs/dbraw/zinc/85/55/29/581855529.db2.gz CLMKITGUFYSQPM-UONOGXRCSA-N 1 2 264.369 0.969 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000745079972 581864351 /nfs/dbraw/zinc/86/43/51/581864351.db2.gz OFAMNYOORODYRW-DOMZBBRYSA-N 1 2 293.367 0.822 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000745079972 581864353 /nfs/dbraw/zinc/86/43/53/581864353.db2.gz OFAMNYOORODYRW-DOMZBBRYSA-N 1 2 293.367 0.822 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1F ZINC000733131833 581865684 /nfs/dbraw/zinc/86/56/84/581865684.db2.gz PJKYUZNPXKCQHS-ZDUSSCGKSA-N 1 2 289.310 0.961 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1F ZINC000733131833 581865687 /nfs/dbraw/zinc/86/56/87/581865687.db2.gz PJKYUZNPXKCQHS-ZDUSSCGKSA-N 1 2 289.310 0.961 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000761061935 581884812 /nfs/dbraw/zinc/88/48/12/581884812.db2.gz JGTWELJXCWBDTB-GXSJLCMTSA-N 1 2 278.274 0.514 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000761061935 581884814 /nfs/dbraw/zinc/88/48/14/581884814.db2.gz JGTWELJXCWBDTB-GXSJLCMTSA-N 1 2 278.274 0.514 20 30 CCEDLO C#CCCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000745901342 581891092 /nfs/dbraw/zinc/89/10/92/581891092.db2.gz HECFLMPSMXMQFM-UHFFFAOYSA-N 1 2 289.383 0.661 20 30 CCEDLO Cc1[nH]c[nH+]c1CN=Nc1ccccc1S(N)(=O)=O ZINC000773125025 581909694 /nfs/dbraw/zinc/90/96/94/581909694.db2.gz LLSVTGKPKUIHHM-UHFFFAOYSA-N 1 2 279.325 0.812 20 30 CCEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1CCCO1 ZINC000773316560 581921685 /nfs/dbraw/zinc/92/16/85/581921685.db2.gz WJVPFHSGJKALEN-WDEREUQCSA-N 1 2 262.313 0.400 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000747825293 581953924 /nfs/dbraw/zinc/95/39/24/581953924.db2.gz OAXRLKYGLZQPMZ-UHFFFAOYSA-N 1 2 275.308 0.486 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000747836433 581954421 /nfs/dbraw/zinc/95/44/21/581954421.db2.gz YDSLXXOBKQILFS-UHFFFAOYSA-N 1 2 251.311 0.538 20 30 CCEDLO COCC#CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000774993718 582007833 /nfs/dbraw/zinc/00/78/33/582007833.db2.gz VRYUYYMEDFSXGI-LLVKDONJSA-N 1 2 257.355 0.617 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749804544 582022506 /nfs/dbraw/zinc/02/25/06/582022506.db2.gz HGFNEWBMWHGYFJ-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749804544 582022508 /nfs/dbraw/zinc/02/25/08/582022508.db2.gz HGFNEWBMWHGYFJ-GFCCVEGCSA-N 1 2 295.383 0.677 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000749845387 582025329 /nfs/dbraw/zinc/02/53/29/582025329.db2.gz QNBQVLURDBNHHU-UHFFFAOYSA-N 1 2 278.381 0.323 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000764201369 582035799 /nfs/dbraw/zinc/03/57/99/582035799.db2.gz KCPAVMNISSSUGN-BXUZGUMPSA-N 1 2 282.388 0.497 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000764201369 582035801 /nfs/dbraw/zinc/03/58/01/582035801.db2.gz KCPAVMNISSSUGN-BXUZGUMPSA-N 1 2 282.388 0.497 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cnc(OC)nc2)CC1 ZINC000775856353 582043200 /nfs/dbraw/zinc/04/32/00/582043200.db2.gz SMUPMSNMFYBVMK-PLNGDYQASA-N 1 2 286.335 0.276 20 30 CCEDLO N#Cc1cccc(CC(=O)OCC[NH+]2CCOCC2)c1 ZINC000750434392 582044792 /nfs/dbraw/zinc/04/47/92/582044792.db2.gz URIDTLXPSZHTSK-UHFFFAOYSA-N 1 2 274.320 0.976 20 30 CCEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(N)(=O)=O)cc1 ZINC000764640572 582060482 /nfs/dbraw/zinc/06/04/82/582060482.db2.gz MEYISVOWFOQVDQ-UHFFFAOYSA-N 1 2 291.336 0.757 20 30 CCEDLO C#C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000776235272 582063543 /nfs/dbraw/zinc/06/35/43/582063543.db2.gz QOHZQVLDQFVCGH-KGLIPLIRSA-N 1 2 295.383 0.141 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)[C@H](CC)CN1C(C)=O ZINC000752095133 582101035 /nfs/dbraw/zinc/10/10/35/582101035.db2.gz UBYMMRRQZRWYKO-ZIAGYGMSSA-N 1 2 294.399 0.738 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)[C@H](CC)CN1C(C)=O ZINC000752095133 582101036 /nfs/dbraw/zinc/10/10/36/582101036.db2.gz UBYMMRRQZRWYKO-ZIAGYGMSSA-N 1 2 294.399 0.738 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000853355687 612987987 /nfs/dbraw/zinc/98/79/87/612987987.db2.gz HUXBRJALGHIOSX-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000883117710 612947764 /nfs/dbraw/zinc/94/77/64/612947764.db2.gz GKOPBSGMDVCDFJ-NSHDSACASA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCCCn1cc[nH+]c1 ZINC000864405760 613034668 /nfs/dbraw/zinc/03/46/68/613034668.db2.gz PMCJPBTWAKTMLC-LBPRGKRZSA-N 1 2 264.329 0.611 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000858533490 613050965 /nfs/dbraw/zinc/05/09/65/613050965.db2.gz SUXVSYBFXFTMHZ-GFCCVEGCSA-N 1 2 278.356 0.690 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907978129 613055404 /nfs/dbraw/zinc/05/54/04/613055404.db2.gz NNCGYIYYQOZWTE-JWAFFJSPSA-N 1 2 280.368 0.155 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893674375 613064456 /nfs/dbraw/zinc/06/44/56/613064456.db2.gz ZZTFSGLSZNUZJL-RYUDHWBXSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893674375 613064457 /nfs/dbraw/zinc/06/44/57/613064457.db2.gz ZZTFSGLSZNUZJL-RYUDHWBXSA-N 1 2 278.356 0.846 20 30 CCEDLO C#CC[C@H]([NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000877583985 613071284 /nfs/dbraw/zinc/07/12/84/613071284.db2.gz WFUMCSWVHDDFKS-UTUOFQBUSA-N 1 2 266.341 0.588 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000223010686 612975735 /nfs/dbraw/zinc/97/57/35/612975735.db2.gz ZFYPJMHSVFJMIX-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000223010686 612975737 /nfs/dbraw/zinc/97/57/37/612975737.db2.gz ZFYPJMHSVFJMIX-LBPRGKRZSA-N 1 2 277.324 0.804 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949320939 617288396 /nfs/dbraw/zinc/28/83/96/617288396.db2.gz XCBQZAYZACASEE-LBPRGKRZSA-N 1 2 283.347 0.809 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949320939 617288399 /nfs/dbraw/zinc/28/83/99/617288399.db2.gz XCBQZAYZACASEE-LBPRGKRZSA-N 1 2 283.347 0.809 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000801909477 617297459 /nfs/dbraw/zinc/29/74/59/617297459.db2.gz CUEDXEPEZPXRPE-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000931151107 612952354 /nfs/dbraw/zinc/95/23/54/612952354.db2.gz FTVVLUCGVUETTE-UHFFFAOYSA-N 1 2 259.309 0.480 20 30 CCEDLO C#CC1(O)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000890521044 612959221 /nfs/dbraw/zinc/95/92/21/612959221.db2.gz SQFDYZIYXTZKAM-UHFFFAOYSA-N 1 2 281.315 0.752 20 30 CCEDLO C#CC1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000830345522 612964656 /nfs/dbraw/zinc/96/46/56/612964656.db2.gz HAPAJNPPPNVUEY-UHFFFAOYSA-N 1 2 289.383 0.945 20 30 CCEDLO C#CCC1(NC(=O)NCCc2cn(C)c[nH+]2)CCOCC1 ZINC000889219662 612969360 /nfs/dbraw/zinc/96/93/60/612969360.db2.gz VIGAKVVCMRAJCD-UHFFFAOYSA-N 1 2 290.367 0.834 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000882522765 612972837 /nfs/dbraw/zinc/97/28/37/612972837.db2.gz CHFPMKNRXIWHMM-ZDUSSCGKSA-N 1 2 287.363 0.822 20 30 CCEDLO C#CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000851957641 612983496 /nfs/dbraw/zinc/98/34/96/612983496.db2.gz RQPTXZLIOXAHBF-CYBMUJFWSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000851957641 612983498 /nfs/dbraw/zinc/98/34/98/612983498.db2.gz RQPTXZLIOXAHBF-CYBMUJFWSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766611 612984673 /nfs/dbraw/zinc/98/46/73/612984673.db2.gz AQMISEZBJUFHKG-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766611 612984675 /nfs/dbraw/zinc/98/46/75/612984675.db2.gz AQMISEZBJUFHKG-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000853678105 612987398 /nfs/dbraw/zinc/98/73/98/612987398.db2.gz AWGGXYKRCOIMHA-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000853678105 612987399 /nfs/dbraw/zinc/98/73/99/612987399.db2.gz AWGGXYKRCOIMHA-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000951779211 612991401 /nfs/dbraw/zinc/99/14/01/612991401.db2.gz PIXPPXLLCJCEQG-OCCSQVGLSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000862534366 613007856 /nfs/dbraw/zinc/00/78/56/613007856.db2.gz AGCTVUJIMRBPSM-AWEZNQCLSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000862534366 613007857 /nfs/dbraw/zinc/00/78/57/613007857.db2.gz AGCTVUJIMRBPSM-AWEZNQCLSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC=C)nn2)CC1 ZINC000843781248 613010982 /nfs/dbraw/zinc/01/09/82/613010982.db2.gz SKNCTZSQLGSLIC-UHFFFAOYSA-N 1 2 273.340 0.245 20 30 CCEDLO C#CCSCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000890514998 613011015 /nfs/dbraw/zinc/01/10/15/613011015.db2.gz WVLGQGOIIUPEQG-OLZOCXBDSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000858283283 613020667 /nfs/dbraw/zinc/02/06/67/613020667.db2.gz FSSVLOAUUJPKRG-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000858283283 613020668 /nfs/dbraw/zinc/02/06/68/613020668.db2.gz FSSVLOAUUJPKRG-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000858861035 613038757 /nfs/dbraw/zinc/03/87/57/613038757.db2.gz YANJKWHOJZSQJS-MNOVXSKESA-N 1 2 264.329 0.720 20 30 CCEDLO C#CC[C@@H](COC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000858861035 613038758 /nfs/dbraw/zinc/03/87/58/613038758.db2.gz YANJKWHOJZSQJS-MNOVXSKESA-N 1 2 264.329 0.720 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000863781448 613052251 /nfs/dbraw/zinc/05/22/51/613052251.db2.gz LWTKBSXCEDLWSY-QWHCGFSZSA-N 1 2 275.352 0.990 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852274580 613085278 /nfs/dbraw/zinc/08/52/78/613085278.db2.gz FAIMESXEUHNZDQ-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@H+](C1CSC1)[C@H]1CCN(CC=C)C1=O ZINC000878910649 613098427 /nfs/dbraw/zinc/09/84/27/613098427.db2.gz ZYRTYNWFPDKZKJ-LBPRGKRZSA-N 1 2 250.367 0.824 20 30 CCEDLO C#CC[N@@H+](C1CSC1)[C@H]1CCN(CC=C)C1=O ZINC000878910649 613098428 /nfs/dbraw/zinc/09/84/28/613098428.db2.gz ZYRTYNWFPDKZKJ-LBPRGKRZSA-N 1 2 250.367 0.824 20 30 CCEDLO C#CCN(CC#CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900857139 613099564 /nfs/dbraw/zinc/09/95/64/613099564.db2.gz VAXJLPKIRIFPJZ-SQFISAMPSA-N 1 2 274.364 0.750 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000848750995 613107083 /nfs/dbraw/zinc/10/70/83/613107083.db2.gz LGFPOXDCYFNHDO-CYBMUJFWSA-N 1 2 299.378 0.605 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000848750995 613107084 /nfs/dbraw/zinc/10/70/84/613107084.db2.gz LGFPOXDCYFNHDO-CYBMUJFWSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)o1)C(C)C ZINC000897171306 613108725 /nfs/dbraw/zinc/10/87/25/613108725.db2.gz VIQLWVKBRFDAEF-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)o1)C(C)C ZINC000897171306 613108728 /nfs/dbraw/zinc/10/87/28/613108728.db2.gz VIQLWVKBRFDAEF-UHFFFAOYSA-N 1 2 256.327 0.771 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(F)F)CC2)C1 ZINC000941279233 613114519 /nfs/dbraw/zinc/11/45/19/613114519.db2.gz JYCXMFBOMVEYCU-UHFFFAOYSA-N 1 2 271.311 0.103 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000941367920 613114680 /nfs/dbraw/zinc/11/46/80/613114680.db2.gz MQKUGNLNLXJRPY-WLRTZDKTSA-N 1 2 261.369 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCO3)CC2)C1 ZINC000941316034 613115257 /nfs/dbraw/zinc/11/52/57/613115257.db2.gz LZYFIKFLQXKZOH-OAHLLOKOSA-N 1 2 291.395 0.017 20 30 CCEDLO C#C[C@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000820394903 613116790 /nfs/dbraw/zinc/11/67/90/613116790.db2.gz PZSYJEQPLZYCJB-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000854076799 613119584 /nfs/dbraw/zinc/11/95/84/613119584.db2.gz ZHBNKUQYOYSSPO-CHWSQXEVSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751632 613121786 /nfs/dbraw/zinc/12/17/86/613121786.db2.gz HWGSHQSGXHRISM-GFCCVEGCSA-N 1 2 286.379 0.831 20 30 CCEDLO C#C[C@H](CCC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867760365 613122512 /nfs/dbraw/zinc/12/25/12/613122512.db2.gz CFPFMQZOHWKTBF-VUDGCMKMSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[N@H+]1CCCC2(CN(C(=O)CCc3cnn[nH]3)C2)C1 ZINC000982021944 613140564 /nfs/dbraw/zinc/14/05/64/613140564.db2.gz NPXFDICPBZMDCN-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)CCc3cnn[nH]3)C2)C1 ZINC000982021944 613140566 /nfs/dbraw/zinc/14/05/66/613140566.db2.gz NPXFDICPBZMDCN-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC000981677418 613159946 /nfs/dbraw/zinc/15/99/46/613159946.db2.gz XVJIBJBSSDVDAP-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC000981677418 613159947 /nfs/dbraw/zinc/15/99/47/613159947.db2.gz XVJIBJBSSDVDAP-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000923566467 613164687 /nfs/dbraw/zinc/16/46/87/613164687.db2.gz NOFAJGRLYUKDIP-LLVKDONJSA-N 1 2 286.322 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000923566467 613164689 /nfs/dbraw/zinc/16/46/89/613164689.db2.gz NOFAJGRLYUKDIP-LLVKDONJSA-N 1 2 286.322 0.751 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000854726496 613168529 /nfs/dbraw/zinc/16/85/29/613168529.db2.gz DRLLUOHRIZHCDC-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000912734815 613169626 /nfs/dbraw/zinc/16/96/26/613169626.db2.gz PHHPWNGEYPIHNL-AWEZNQCLSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000912734815 613169627 /nfs/dbraw/zinc/16/96/27/613169627.db2.gz PHHPWNGEYPIHNL-AWEZNQCLSA-N 1 2 258.321 0.416 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)nc1 ZINC000913447219 613170416 /nfs/dbraw/zinc/17/04/16/613170416.db2.gz IRNUFQHYNNUWMO-CQSZACIVSA-N 1 2 281.319 0.573 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)nc1 ZINC000913447218 613170690 /nfs/dbraw/zinc/17/06/90/613170690.db2.gz IRNUFQHYNNUWMO-AWEZNQCLSA-N 1 2 281.319 0.573 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000885512686 613176186 /nfs/dbraw/zinc/17/61/86/613176186.db2.gz XXHXIIJRMNLRLP-CHWSQXEVSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000885512686 613176188 /nfs/dbraw/zinc/17/61/88/613176188.db2.gz XXHXIIJRMNLRLP-CHWSQXEVSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000923569336 613190914 /nfs/dbraw/zinc/19/09/14/613190914.db2.gz NPJKRKLSASZRHW-NSHDSACASA-N 1 2 259.309 0.655 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000923569336 613190916 /nfs/dbraw/zinc/19/09/16/613190916.db2.gz NPJKRKLSASZRHW-NSHDSACASA-N 1 2 259.309 0.655 20 30 CCEDLO C#Cc1ccc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000839145376 613193085 /nfs/dbraw/zinc/19/30/85/613193085.db2.gz ZLOACCWVWOTCPW-UHFFFAOYSA-N 1 2 281.319 0.415 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)C ZINC000839899252 613200432 /nfs/dbraw/zinc/20/04/32/613200432.db2.gz AWVKVUBUJRHXSN-RYUDHWBXSA-N 1 2 265.357 0.113 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)C ZINC000839899252 613200434 /nfs/dbraw/zinc/20/04/34/613200434.db2.gz AWVKVUBUJRHXSN-RYUDHWBXSA-N 1 2 265.357 0.113 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCC[C@@H]1COC ZINC000862599830 613200438 /nfs/dbraw/zinc/20/04/38/613200438.db2.gz KCZDBYOCTQNFCL-OLZOCXBDSA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCC[C@@H]1COC ZINC000862599830 613200439 /nfs/dbraw/zinc/20/04/39/613200439.db2.gz KCZDBYOCTQNFCL-OLZOCXBDSA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(OC)OC ZINC000839764226 613200715 /nfs/dbraw/zinc/20/07/15/613200715.db2.gz KNADYKGLJHYDKC-QWRGUYRKSA-N 1 2 254.330 0.208 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(OC)OC ZINC000839764226 613200717 /nfs/dbraw/zinc/20/07/17/613200717.db2.gz KNADYKGLJHYDKC-QWRGUYRKSA-N 1 2 254.330 0.208 20 30 CCEDLO C#CCN1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900689041 613204431 /nfs/dbraw/zinc/20/44/31/613204431.db2.gz GHKULVQVJDRARI-FYWRMAATSA-N 1 2 291.395 0.042 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950434118 613207563 /nfs/dbraw/zinc/20/75/63/613207563.db2.gz WQMQNCSEMXKQCB-LBPRGKRZSA-N 1 2 272.352 0.607 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218478 613211240 /nfs/dbraw/zinc/21/12/40/613211240.db2.gz KVNQMWYPEBNEKB-AWEZNQCLSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218478 613211242 /nfs/dbraw/zinc/21/12/42/613211242.db2.gz KVNQMWYPEBNEKB-AWEZNQCLSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC3(F)F)C2)C1 ZINC000972430687 613212357 /nfs/dbraw/zinc/21/23/57/613212357.db2.gz JGBWRGFAALYXOK-GXTWGEPZSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC3(F)F)C2)C1 ZINC000972430687 613212358 /nfs/dbraw/zinc/21/23/58/613212358.db2.gz JGBWRGFAALYXOK-GXTWGEPZSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972291096 613212582 /nfs/dbraw/zinc/21/25/82/613212582.db2.gz MMYKKWODDVJTEB-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972291096 613212585 /nfs/dbraw/zinc/21/25/85/613212585.db2.gz MMYKKWODDVJTEB-GDBMZVCRSA-N 1 2 292.379 0.350 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000804439933 613215889 /nfs/dbraw/zinc/21/58/89/613215889.db2.gz NVCFKPTYTMEWLR-XJKSGUPXSA-N 1 2 299.374 0.998 20 30 CCEDLO C/C(=C/C(=O)N1CC(C)(C#N)C1)C[NH+]1CCOCC1 ZINC000907923220 613228515 /nfs/dbraw/zinc/22/85/15/613228515.db2.gz AJZYSMFOFMCCKD-GHXNOFRVSA-N 1 2 263.341 0.637 20 30 CCEDLO C/C(=C\C(=O)n1ncc(C#N)c1N)C[NH+]1CCOCC1 ZINC000912833150 613260392 /nfs/dbraw/zinc/26/03/92/613260392.db2.gz HFSQKZBYIAJECA-UXBLZVDNSA-N 1 2 275.312 0.256 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC000957334109 613294349 /nfs/dbraw/zinc/29/43/49/613294349.db2.gz MTBGEMLFNXAMKJ-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)CN1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830614 613295549 /nfs/dbraw/zinc/29/55/49/613295549.db2.gz SOICFSFZSCMONS-CQSZACIVSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)CN1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830614 613295552 /nfs/dbraw/zinc/29/55/52/613295552.db2.gz SOICFSFZSCMONS-CQSZACIVSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)n2C)C1 ZINC000951137681 613297485 /nfs/dbraw/zinc/29/74/85/613297485.db2.gz LWZBKUFYSZIGLE-UHFFFAOYSA-N 1 2 278.356 0.848 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000949793169 613319416 /nfs/dbraw/zinc/31/94/16/613319416.db2.gz NNNQFEQWPZYOIX-OAHLLOKOSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC000952321356 613322224 /nfs/dbraw/zinc/32/22/24/613322224.db2.gz VZQRFIXUKLKIAO-UHFFFAOYSA-N 1 2 286.339 0.458 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501452 613325631 /nfs/dbraw/zinc/32/56/31/613325631.db2.gz NACWASJJLOIGFE-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501452 613325633 /nfs/dbraw/zinc/32/56/33/613325633.db2.gz NACWASJJLOIGFE-NSHDSACASA-N 1 2 278.274 0.779 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000906043468 613361008 /nfs/dbraw/zinc/36/10/08/613361008.db2.gz AYYBLMWRNLRJJX-STQMWFEESA-N 1 2 268.357 0.104 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000906974687 613361099 /nfs/dbraw/zinc/36/10/99/613361099.db2.gz GUWXKMYMOPAJPC-ILXRZTDVSA-N 1 2 294.395 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276698 613373845 /nfs/dbraw/zinc/37/38/45/613373845.db2.gz QPKYEMTYSZPHNV-LBPRGKRZSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000981276698 613373846 /nfs/dbraw/zinc/37/38/46/613373846.db2.gz QPKYEMTYSZPHNV-LBPRGKRZSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000865296640 613391042 /nfs/dbraw/zinc/39/10/42/613391042.db2.gz BZSALBDFTDUGEF-SECBINFHSA-N 1 2 268.704 0.946 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000877895729 613396580 /nfs/dbraw/zinc/39/65/80/613396580.db2.gz WJMRVZOWMAMOMS-LBPRGKRZSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(C)=O)CC1 ZINC000877895729 613396586 /nfs/dbraw/zinc/39/65/86/613396586.db2.gz WJMRVZOWMAMOMS-LBPRGKRZSA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@H]([NH2+]CC1(C(=O)OC)CCOCC1)C(=O)OC ZINC000905762276 613419318 /nfs/dbraw/zinc/41/93/18/613419318.db2.gz MNJQGFOUZRZKEL-NSHDSACASA-N 1 2 285.340 0.664 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000800337766 613441703 /nfs/dbraw/zinc/44/17/03/613441703.db2.gz NPRHXNUUOLBLFC-QWRGUYRKSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000800337766 613441704 /nfs/dbraw/zinc/44/17/04/613441704.db2.gz NPRHXNUUOLBLFC-QWRGUYRKSA-N 1 2 255.314 0.799 20 30 CCEDLO C=CCC1(O)CC[NH+](CN2C[C@@]3(CCCOC3)C2=O)CC1 ZINC000902374383 613459844 /nfs/dbraw/zinc/45/98/44/613459844.db2.gz LCJFCSUQFRZMJQ-OAHLLOKOSA-N 1 2 294.395 0.986 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932022471 613482027 /nfs/dbraw/zinc/48/20/27/613482027.db2.gz UYRBVQVSEFGFNY-GYSYKLTISA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932022471 613482029 /nfs/dbraw/zinc/48/20/29/613482029.db2.gz UYRBVQVSEFGFNY-GYSYKLTISA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933053675 613482212 /nfs/dbraw/zinc/48/22/12/613482212.db2.gz CMKCSZMSPKNPMD-VXGBXAGGSA-N 1 2 269.341 0.720 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](CCOC)CC1 ZINC000845638644 613485313 /nfs/dbraw/zinc/48/53/13/613485313.db2.gz JLBJLKIRCMJHMO-NSHDSACASA-N 1 2 257.334 0.466 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C=C(C)C)CC2)C1 ZINC000941297201 613528945 /nfs/dbraw/zinc/52/89/45/613528945.db2.gz BJDUUNUJDHWEAN-UHFFFAOYSA-N 1 2 275.396 0.804 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000941311107 613529728 /nfs/dbraw/zinc/52/97/28/613529728.db2.gz BCUNNWPZCHABEX-UHFFFAOYSA-N 1 2 286.379 0.480 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000941545147 613529881 /nfs/dbraw/zinc/52/98/81/613529881.db2.gz NYMUTMUNDHCDPY-UHFFFAOYSA-N 1 2 299.365 0.883 20 30 CCEDLO CC#CC[NH+]1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000933557622 613569691 /nfs/dbraw/zinc/56/96/91/613569691.db2.gz UWNMCQQRXXYSMV-UHFFFAOYSA-N 1 2 272.356 0.477 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913469760 613571647 /nfs/dbraw/zinc/57/16/47/613571647.db2.gz UPMLCPHTXZZJCN-ZDUSSCGKSA-N 1 2 278.356 0.486 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867324554 613608598 /nfs/dbraw/zinc/60/85/98/613608598.db2.gz GPSHXBHBXXRXBU-AWEZNQCLSA-N 1 2 287.363 0.934 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867324554 613608601 /nfs/dbraw/zinc/60/86/01/613608601.db2.gz GPSHXBHBXXRXBU-AWEZNQCLSA-N 1 2 287.363 0.934 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000962516169 613640375 /nfs/dbraw/zinc/64/03/75/613640375.db2.gz FLBZHAFSOJFNOM-JYAVWHMHSA-N 1 2 295.346 0.641 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000962516169 613640377 /nfs/dbraw/zinc/64/03/77/613640377.db2.gz FLBZHAFSOJFNOM-JYAVWHMHSA-N 1 2 295.346 0.641 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2n[nH]c3c2COCC3)nn1 ZINC000900650912 613645155 /nfs/dbraw/zinc/64/51/55/613645155.db2.gz WCTYWVACRPXLIT-UHFFFAOYSA-N 1 2 286.339 0.235 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933731318 613647286 /nfs/dbraw/zinc/64/72/86/613647286.db2.gz NMBSDUVDNJAMHC-BETUJISGSA-N 1 2 298.408 0.163 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933731318 613647287 /nfs/dbraw/zinc/64/72/87/613647287.db2.gz NMBSDUVDNJAMHC-BETUJISGSA-N 1 2 298.408 0.163 20 30 CCEDLO C=CC[N@H+](CN1C[C@H](C(=O)OC)CC1=O)[C@H](C)COC ZINC000853534635 613650981 /nfs/dbraw/zinc/65/09/81/613650981.db2.gz LCNLSFWNPSLYFK-VXGBXAGGSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[N@@H+](CN1C[C@H](C(=O)OC)CC1=O)[C@H](C)COC ZINC000853534635 613650982 /nfs/dbraw/zinc/65/09/82/613650982.db2.gz LCNLSFWNPSLYFK-VXGBXAGGSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CCN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830590 613654096 /nfs/dbraw/zinc/65/40/96/613654096.db2.gz RQMZUTNAPLOFTR-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CCN1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830590 613654097 /nfs/dbraw/zinc/65/40/97/613654097.db2.gz RQMZUTNAPLOFTR-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2COCCN2C)C1 ZINC000949922366 613656088 /nfs/dbraw/zinc/65/60/88/613656088.db2.gz FRLDMVDTKZPVJL-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000970734951 613668761 /nfs/dbraw/zinc/66/87/61/613668761.db2.gz JUVRHPCPLNQJRX-WDEREUQCSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000970734951 613668764 /nfs/dbraw/zinc/66/87/64/613668764.db2.gz JUVRHPCPLNQJRX-WDEREUQCSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000951746663 613706859 /nfs/dbraw/zinc/70/68/59/613706859.db2.gz UWFPTDAEIJTZMZ-UHFFFAOYSA-N 1 2 281.400 0.427 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cnccn2)CC1 ZINC000957078566 613708406 /nfs/dbraw/zinc/70/84/06/613708406.db2.gz CRJZDKLMOSOAHI-UHFFFAOYSA-N 1 2 260.341 0.739 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000949874872 613711609 /nfs/dbraw/zinc/71/16/09/613711609.db2.gz HCUHNCNRVIKMDN-GFCCVEGCSA-N 1 2 289.383 0.250 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000949875168 613716452 /nfs/dbraw/zinc/71/64/52/613716452.db2.gz UBMGLABCRBSUKK-UHFFFAOYSA-N 1 2 287.323 0.607 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000949620683 613717868 /nfs/dbraw/zinc/71/78/68/613717868.db2.gz VXGSGRYKVACYEF-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426951 613722378 /nfs/dbraw/zinc/72/23/78/613722378.db2.gz XNDSUNFTMWDIFT-XUJLQICISA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426951 613722381 /nfs/dbraw/zinc/72/23/81/613722381.db2.gz XNDSUNFTMWDIFT-XUJLQICISA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972613162 613724157 /nfs/dbraw/zinc/72/41/57/613724157.db2.gz ACHCTRQRNSSBCI-CVEARBPZSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972613162 613724158 /nfs/dbraw/zinc/72/41/58/613724158.db2.gz ACHCTRQRNSSBCI-CVEARBPZSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncccn3)C2)C1 ZINC000972606601 613724656 /nfs/dbraw/zinc/72/46/56/613724656.db2.gz WLUHPCKCPOOTJS-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncccn3)C2)C1 ZINC000972606601 613724657 /nfs/dbraw/zinc/72/46/57/613724657.db2.gz WLUHPCKCPOOTJS-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000879940625 613778443 /nfs/dbraw/zinc/77/84/43/613778443.db2.gz ONZLYXWGGNNDSB-AVGNSLFASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000879940625 613778444 /nfs/dbraw/zinc/77/84/44/613778444.db2.gz ONZLYXWGGNNDSB-AVGNSLFASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481168 613853334 /nfs/dbraw/zinc/85/33/34/613853334.db2.gz VKAJDGGWUIECAD-YGRLFVJLSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879481168 613853335 /nfs/dbraw/zinc/85/33/35/613853335.db2.gz VKAJDGGWUIECAD-YGRLFVJLSA-N 1 2 295.339 0.071 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCSC1 ZINC000884238262 613877460 /nfs/dbraw/zinc/87/74/60/613877460.db2.gz XPMOEGGOGJZMID-ZJUUUORDSA-N 1 2 272.370 0.397 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CC1CC1 ZINC000884136402 613877393 /nfs/dbraw/zinc/87/73/93/613877393.db2.gz LMDVZJYOKMVUFP-NSHDSACASA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccco1 ZINC000884238114 613877404 /nfs/dbraw/zinc/87/74/04/613877404.db2.gz UDKOZXFTNROSIX-NSHDSACASA-N 1 2 266.297 0.685 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](OCC)C1 ZINC000884088593 613877529 /nfs/dbraw/zinc/87/75/29/613877529.db2.gz ONRXXLCYOGXMAE-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000884470796 613877723 /nfs/dbraw/zinc/87/77/23/613877723.db2.gz AQJLCCHMSNAFEW-TUAOUCFPSA-N 1 2 298.408 0.645 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000884314941 613877747 /nfs/dbraw/zinc/87/77/47/613877747.db2.gz BEKDGXXICNWRJI-NWDGAFQWSA-N 1 2 282.340 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C(C)(C)C1(C)C ZINC000884170410 613877977 /nfs/dbraw/zinc/87/79/77/613877977.db2.gz WPVRNLCLAUTQKN-VIFPVBQESA-N 1 2 268.357 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000884045591 613878077 /nfs/dbraw/zinc/87/80/77/613878077.db2.gz ZSUBAHSCFMTJLD-UTUOFQBUSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)Cn1cccn1 ZINC000884092700 613878285 /nfs/dbraw/zinc/87/82/85/613878285.db2.gz MPQWUOKIBUZANS-NEPJUHHUSA-N 1 2 294.355 0.082 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)CC(F)F ZINC000884373406 613878429 /nfs/dbraw/zinc/87/84/29/613878429.db2.gz LTABLXUSCOZSLC-BDAKNGLRSA-N 1 2 278.299 0.841 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000884168274 613878752 /nfs/dbraw/zinc/87/87/52/613878752.db2.gz BTYQFXWCQWTHIW-HBNTYKKESA-N 1 2 284.356 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H]2C[C@H]2C)no1 ZINC000904097517 613878886 /nfs/dbraw/zinc/87/88/86/613878886.db2.gz WWWWLUKQBSYRNA-HLTSFMKQSA-N 1 2 251.286 0.792 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000884043542 613878933 /nfs/dbraw/zinc/87/89/33/613878933.db2.gz XWZUWAQKXIITRF-JTQLQIEISA-N 1 2 292.291 0.800 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ncc(C)s1 ZINC000884049788 613878974 /nfs/dbraw/zinc/87/89/74/613878974.db2.gz FNVIFFZBPDEGBI-QMMMGPOBSA-N 1 2 269.326 0.837 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897364891 613885051 /nfs/dbraw/zinc/88/50/51/613885051.db2.gz MSYBNBZGJICZGF-UHFFFAOYSA-N 1 2 299.396 0.644 20 30 CCEDLO CC(C)(C[NH+]1CCN(C(=O)CC#N)CC1)N1CCOCC1 ZINC000895066391 614089494 /nfs/dbraw/zinc/08/94/94/614089494.db2.gz JXSRMDLWOUYCML-UHFFFAOYSA-N 1 2 294.399 0.155 20 30 CCEDLO CCC[N@H+](Cc1cncc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000930347220 614586340 /nfs/dbraw/zinc/58/63/40/614586340.db2.gz OOBKZWVUDAIHRA-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000930347220 614586341 /nfs/dbraw/zinc/58/63/41/614586341.db2.gz OOBKZWVUDAIHRA-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@@H+]2CCO[C@H](C)C#N ZINC000852706874 615160946 /nfs/dbraw/zinc/16/09/46/615160946.db2.gz BXXWLJSGVFAQPR-XSRFYTQQSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)C12CC(C1)C[N@H+]2CCO[C@H](C)C#N ZINC000852706874 615160948 /nfs/dbraw/zinc/16/09/48/615160948.db2.gz BXXWLJSGVFAQPR-XSRFYTQQSA-N 1 2 252.314 0.943 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000907073625 615161484 /nfs/dbraw/zinc/16/14/84/615161484.db2.gz NURHYKSMWWDCAA-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000907073625 615161485 /nfs/dbraw/zinc/16/14/85/615161485.db2.gz NURHYKSMWWDCAA-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000815052864 615306838 /nfs/dbraw/zinc/30/68/38/615306838.db2.gz FAIMPWDFLKFMJC-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000815052864 615306840 /nfs/dbraw/zinc/30/68/40/615306840.db2.gz FAIMPWDFLKFMJC-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCOCC1 ZINC000928639583 615476813 /nfs/dbraw/zinc/47/68/13/615476813.db2.gz HJCLTKJSMLQVPA-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886016805 615550941 /nfs/dbraw/zinc/55/09/41/615550941.db2.gz LYPSGDNQVQFANN-VXGBXAGGSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886016805 615550942 /nfs/dbraw/zinc/55/09/42/615550942.db2.gz LYPSGDNQVQFANN-VXGBXAGGSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000871759974 615568856 /nfs/dbraw/zinc/56/88/56/615568856.db2.gz BDTUNLATUYAAPJ-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)cn1C ZINC000871759974 615568857 /nfs/dbraw/zinc/56/88/57/615568857.db2.gz BDTUNLATUYAAPJ-CYBMUJFWSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cnc(C#N)cn1 ZINC000872771827 615569703 /nfs/dbraw/zinc/56/97/03/615569703.db2.gz LNRBOWVEPBSHSU-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1cnc(C#N)cn1 ZINC000872771827 615569704 /nfs/dbraw/zinc/56/97/04/615569704.db2.gz LNRBOWVEPBSHSU-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1C[N@H+](C[C@H](O)CC#N)CCN1CC(F)F ZINC000930141524 615915684 /nfs/dbraw/zinc/91/56/84/615915684.db2.gz AOIHYELULCRHPT-WDEREUQCSA-N 1 2 261.316 0.922 20 30 CCEDLO CC[C@H]1C[N@@H+](C[C@H](O)CC#N)CCN1CC(F)F ZINC000930141524 615915688 /nfs/dbraw/zinc/91/56/88/615915688.db2.gz AOIHYELULCRHPT-WDEREUQCSA-N 1 2 261.316 0.922 20 30 CCEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2(C#N)CC2)[nH]n1 ZINC000900723483 616215158 /nfs/dbraw/zinc/21/51/58/616215158.db2.gz QZUHZLVEAXQFLI-NSHDSACASA-N 1 2 259.313 0.962 20 30 CCEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2(C#N)CC2)[nH]n1 ZINC000900723483 616215159 /nfs/dbraw/zinc/21/51/59/616215159.db2.gz QZUHZLVEAXQFLI-NSHDSACASA-N 1 2 259.313 0.962 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@@H]1CO ZINC000913556268 616229069 /nfs/dbraw/zinc/22/90/69/616229069.db2.gz VGYIXCHRCHTGLQ-MNSOJDNVSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@@H]1CO ZINC000913556268 616229070 /nfs/dbraw/zinc/22/90/70/616229070.db2.gz VGYIXCHRCHTGLQ-MNSOJDNVSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1CO ZINC000913546099 616230297 /nfs/dbraw/zinc/23/02/97/616230297.db2.gz HHIGIBVPFYSAPZ-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1CO ZINC000913546099 616230298 /nfs/dbraw/zinc/23/02/98/616230298.db2.gz HHIGIBVPFYSAPZ-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986011 616393437 /nfs/dbraw/zinc/39/34/37/616393437.db2.gz WOHNPRVHKSXQSY-RYUDHWBXSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986011 616393439 /nfs/dbraw/zinc/39/34/39/616393439.db2.gz WOHNPRVHKSXQSY-RYUDHWBXSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000871340900 616545846 /nfs/dbraw/zinc/54/58/46/616545846.db2.gz KDTUKGXMCKCXHT-NSHDSACASA-N 1 2 290.323 0.361 20 30 CCEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000805825702 616775386 /nfs/dbraw/zinc/77/53/86/616775386.db2.gz CNDZFDWRYNHGCL-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000805825702 616775387 /nfs/dbraw/zinc/77/53/87/616775387.db2.gz CNDZFDWRYNHGCL-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1=O ZINC000902346075 617149752 /nfs/dbraw/zinc/14/97/52/617149752.db2.gz JPYOXSRHYMGLDY-GXFFZTMASA-N 1 2 291.351 1.000 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1=O ZINC000902346075 617149754 /nfs/dbraw/zinc/14/97/54/617149754.db2.gz JPYOXSRHYMGLDY-GXFFZTMASA-N 1 2 291.351 1.000 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000892230336 622679614 /nfs/dbraw/zinc/67/96/14/622679614.db2.gz XOXAHXFTQZRMRZ-CQSZACIVSA-N 1 2 291.355 0.987 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001022959566 622869078 /nfs/dbraw/zinc/86/90/78/622869078.db2.gz CPFQUXNZRCMGDU-TXEJJXNPSA-N 1 2 298.350 0.294 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657584 623093795 /nfs/dbraw/zinc/09/37/95/623093795.db2.gz SCFPTASJUNTKLW-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657584 623093801 /nfs/dbraw/zinc/09/38/01/623093801.db2.gz SCFPTASJUNTKLW-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657584 623093808 /nfs/dbraw/zinc/09/38/08/623093808.db2.gz SCFPTASJUNTKLW-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657584 623093813 /nfs/dbraw/zinc/09/38/13/623093813.db2.gz SCFPTASJUNTKLW-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007704741 623846505 /nfs/dbraw/zinc/84/65/05/623846505.db2.gz KVEWVMRCMRQDGD-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000969996516 624569038 /nfs/dbraw/zinc/56/90/38/624569038.db2.gz JINAEKOEBSTPST-NEPJUHHUSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027690873 630855417 /nfs/dbraw/zinc/85/54/17/630855417.db2.gz JZTOKMUBPKYGTE-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001027690873 630855422 /nfs/dbraw/zinc/85/54/22/630855422.db2.gz JZTOKMUBPKYGTE-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000968626799 650024095 /nfs/dbraw/zinc/02/40/95/650024095.db2.gz CKHAEJZRSGUJNA-LLVKDONJSA-N 1 2 276.365 0.642 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CCO[C@](C)(C#N)C2)c1 ZINC000895292014 632047690 /nfs/dbraw/zinc/04/76/90/632047690.db2.gz QWLVRIPSRKFJNZ-CYBMUJFWSA-N 1 2 277.328 0.287 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325553 632057825 /nfs/dbraw/zinc/05/78/25/632057825.db2.gz SCPRNGIWZZXEIX-DGCLKSJQSA-N 1 2 281.743 0.924 20 30 CCEDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325553 632057829 /nfs/dbraw/zinc/05/78/29/632057829.db2.gz SCPRNGIWZZXEIX-DGCLKSJQSA-N 1 2 281.743 0.924 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007224404 650071365 /nfs/dbraw/zinc/07/13/65/650071365.db2.gz AQWCMFOCUDZMCE-SNVBAGLBSA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007224404 650071367 /nfs/dbraw/zinc/07/13/67/650071367.db2.gz AQWCMFOCUDZMCE-SNVBAGLBSA-N 1 2 299.758 0.925 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(N(C)CC#N)CC1 ZINC000985770235 632638875 /nfs/dbraw/zinc/63/88/75/632638875.db2.gz SHNIVATVWBXRGJ-UHFFFAOYSA-N 1 2 275.356 0.707 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC000987321399 632857451 /nfs/dbraw/zinc/85/74/51/632857451.db2.gz NSHPPGDHRHHXLF-NXEZZACHSA-N 1 2 283.763 0.679 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008412618 650113531 /nfs/dbraw/zinc/11/35/31/650113531.db2.gz QYOCXHIMGCYTLG-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001008412618 650113534 /nfs/dbraw/zinc/11/35/34/650113534.db2.gz QYOCXHIMGCYTLG-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001008440429 650114335 /nfs/dbraw/zinc/11/43/35/650114335.db2.gz DTPRFVOTYKFMJQ-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001008440429 650114339 /nfs/dbraw/zinc/11/43/39/650114339.db2.gz DTPRFVOTYKFMJQ-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900802697 634107364 /nfs/dbraw/zinc/10/73/64/634107364.db2.gz FRHNIPJDVUNDMX-WOPDTQHZSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900802697 634107366 /nfs/dbraw/zinc/10/73/66/634107366.db2.gz FRHNIPJDVUNDMX-WOPDTQHZSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900802694 634107614 /nfs/dbraw/zinc/10/76/14/634107614.db2.gz FRHNIPJDVUNDMX-GRYCIOLGSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900802694 634107618 /nfs/dbraw/zinc/10/76/18/634107618.db2.gz FRHNIPJDVUNDMX-GRYCIOLGSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)[N@H+]1C ZINC000907206726 635088227 /nfs/dbraw/zinc/08/82/27/635088227.db2.gz IBYDDQSIAJEAOH-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)[N@@H+]1C ZINC000907206726 635088231 /nfs/dbraw/zinc/08/82/31/635088231.db2.gz IBYDDQSIAJEAOH-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010283737 650197406 /nfs/dbraw/zinc/19/74/06/650197406.db2.gz CEHQKCGDLVXTCQ-VIFPVBQESA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010283737 650197408 /nfs/dbraw/zinc/19/74/08/650197408.db2.gz CEHQKCGDLVXTCQ-VIFPVBQESA-N 1 2 254.721 0.966 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)N1CC#N ZINC000911710252 636346455 /nfs/dbraw/zinc/34/64/55/636346455.db2.gz DFHJRHWGZNDEFF-QWRGUYRKSA-N 1 2 261.329 0.397 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3ccc(C#N)o3)CC[NH2+]2)cn1 ZINC000913459588 636813328 /nfs/dbraw/zinc/81/33/28/636813328.db2.gz GCIYTWICVNGMAD-GFCCVEGCSA-N 1 2 285.307 0.671 20 30 CCEDLO Cc1nnc(SCCC(=O)NCC#CC[NH+](C)C)[nH]1 ZINC000913519417 636835081 /nfs/dbraw/zinc/83/50/81/636835081.db2.gz YYSYWHJGOOBXPR-UHFFFAOYSA-N 1 2 281.385 0.277 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544092 636842642 /nfs/dbraw/zinc/84/26/42/636842642.db2.gz WRADEPWSROWCAK-JTQLQIEISA-N 1 2 263.297 0.208 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544092 636842644 /nfs/dbraw/zinc/84/26/44/636842644.db2.gz WRADEPWSROWCAK-JTQLQIEISA-N 1 2 263.297 0.208 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)(F)C(F)F)CC1 ZINC000226641507 636993070 /nfs/dbraw/zinc/99/30/70/636993070.db2.gz HBENNXSJTRYCCA-UHFFFAOYSA-N 1 2 267.226 0.991 20 30 CCEDLO Cn1ncnc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158156986 637009876 /nfs/dbraw/zinc/00/98/76/637009876.db2.gz SWZRTFCICGHNHY-UHFFFAOYSA-N 1 2 273.296 0.587 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000914083621 637503274 /nfs/dbraw/zinc/50/32/74/637503274.db2.gz VTFKNNXFGRRWNE-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000914083618 637503762 /nfs/dbraw/zinc/50/37/62/637503762.db2.gz VTFKNNXFGRRWNE-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941301998 638525429 /nfs/dbraw/zinc/52/54/29/638525429.db2.gz FNBAQKXLKPAFEL-CYBMUJFWSA-N 1 2 286.335 0.014 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809334 638795389 /nfs/dbraw/zinc/79/53/89/638795389.db2.gz SRIXXXZURMRHMD-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NCC#N ZINC000996460528 638819217 /nfs/dbraw/zinc/81/92/17/638819217.db2.gz JODOQUOXDBZIOS-JTQLQIEISA-N 1 2 261.329 0.302 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC000996504674 638820543 /nfs/dbraw/zinc/82/05/43/638820543.db2.gz DTGLCJMPVWJTON-SNVBAGLBSA-N 1 2 297.790 0.926 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000879585 639183767 /nfs/dbraw/zinc/18/37/67/639183767.db2.gz RCTCTFZRXZQLHY-CQSZACIVSA-N 1 2 299.378 0.717 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001000890218 639184945 /nfs/dbraw/zinc/18/49/45/639184945.db2.gz HSRDTSKMNLMHRN-UHFFFAOYSA-N 1 2 284.363 0.894 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001000890218 639184950 /nfs/dbraw/zinc/18/49/50/639184950.db2.gz HSRDTSKMNLMHRN-UHFFFAOYSA-N 1 2 284.363 0.894 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710400 650481074 /nfs/dbraw/zinc/48/10/74/650481074.db2.gz GOVDQWZTEBKSMT-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014710400 650481076 /nfs/dbraw/zinc/48/10/76/650481076.db2.gz GOVDQWZTEBKSMT-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014812618 650491160 /nfs/dbraw/zinc/49/11/60/650491160.db2.gz UIGXKAXCTPHRCR-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014812618 650491164 /nfs/dbraw/zinc/49/11/64/650491164.db2.gz UIGXKAXCTPHRCR-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014953741 650507450 /nfs/dbraw/zinc/50/74/50/650507450.db2.gz GOQAMKRSENUCBQ-STQMWFEESA-N 1 2 251.374 0.847 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014953741 650507454 /nfs/dbraw/zinc/50/74/54/650507454.db2.gz GOQAMKRSENUCBQ-STQMWFEESA-N 1 2 251.374 0.847 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000770 650513401 /nfs/dbraw/zinc/51/34/01/650513401.db2.gz RIIPRNYIJGPUQJ-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015041321 650517834 /nfs/dbraw/zinc/51/78/34/650517834.db2.gz DZGNWNMZMXMCHP-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015041321 650517837 /nfs/dbraw/zinc/51/78/37/650517837.db2.gz DZGNWNMZMXMCHP-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@@H](c1ccccc1)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121357182 640294349 /nfs/dbraw/zinc/29/43/49/640294349.db2.gz HIHJTNDZVMBTRP-NSHDSACASA-N 1 2 279.340 0.877 20 30 CCEDLO C[C@@H](C#N)OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000801924567 640674380 /nfs/dbraw/zinc/67/43/80/640674380.db2.gz QQCPPWLEWBZBSM-AWEZNQCLSA-N 1 2 280.372 0.463 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015685888 650609034 /nfs/dbraw/zinc/60/90/34/650609034.db2.gz QJYKKKJRXRGUAL-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015685888 650609036 /nfs/dbraw/zinc/60/90/36/650609036.db2.gz QJYKKKJRXRGUAL-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716077 650616077 /nfs/dbraw/zinc/61/60/77/650616077.db2.gz OFYNZINAJQBEPD-GRYCIOLGSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001015716077 650616078 /nfs/dbraw/zinc/61/60/78/650616078.db2.gz OFYNZINAJQBEPD-GRYCIOLGSA-N 1 2 299.802 0.831 20 30 CCEDLO N#Cc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000816895382 641224827 /nfs/dbraw/zinc/22/48/27/641224827.db2.gz JTFLXMQRQVMDKC-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119217 650683833 /nfs/dbraw/zinc/68/38/33/650683833.db2.gz HTNLZCVJYSXZBO-OLZOCXBDSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001016119217 650683831 /nfs/dbraw/zinc/68/38/31/650683831.db2.gz HTNLZCVJYSXZBO-OLZOCXBDSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347433 650720604 /nfs/dbraw/zinc/72/06/04/650720604.db2.gz JGCSHTACEUQQDU-SNVBAGLBSA-N 1 2 277.349 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347433 650720607 /nfs/dbraw/zinc/72/06/07/650720607.db2.gz JGCSHTACEUQQDU-SNVBAGLBSA-N 1 2 277.349 0.284 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000834498991 642587444 /nfs/dbraw/zinc/58/74/44/642587444.db2.gz CXDSWTUYKBRKPD-NEPJUHHUSA-N 1 2 282.307 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC001017286709 650791178 /nfs/dbraw/zinc/79/11/78/650791178.db2.gz PKQBKYIDCRDPLA-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC001017286709 650791180 /nfs/dbraw/zinc/79/11/80/650791180.db2.gz PKQBKYIDCRDPLA-OKILXGFUSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017390862 650798434 /nfs/dbraw/zinc/79/84/34/650798434.db2.gz SWPRPZIDEBDDQR-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017390862 650798439 /nfs/dbraw/zinc/79/84/39/650798439.db2.gz SWPRPZIDEBDDQR-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2nnnc12 ZINC001017584262 650812271 /nfs/dbraw/zinc/81/22/71/650812271.db2.gz IHPVHQDCHRDAPB-TXEJJXNPSA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2nnnc12 ZINC001017584262 650812273 /nfs/dbraw/zinc/81/22/73/650812273.db2.gz IHPVHQDCHRDAPB-TXEJJXNPSA-N 1 2 296.334 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(C)C1 ZINC001017599106 650812647 /nfs/dbraw/zinc/81/26/47/650812647.db2.gz NPEBFIPWJJLCDO-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(C)C1 ZINC001017599106 650812651 /nfs/dbraw/zinc/81/26/51/650812651.db2.gz NPEBFIPWJJLCDO-MELADBBJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ncccc12 ZINC001017622176 650814171 /nfs/dbraw/zinc/81/41/71/650814171.db2.gz CSRUZFRCOGLHBG-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ncccc12 ZINC001017622176 650814175 /nfs/dbraw/zinc/81/41/75/650814175.db2.gz CSRUZFRCOGLHBG-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001017775168 650821188 /nfs/dbraw/zinc/82/11/88/650821188.db2.gz PMEOMGUVFQAQHT-TXEJJXNPSA-N 1 2 289.335 0.995 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001017775168 650821191 /nfs/dbraw/zinc/82/11/91/650821191.db2.gz PMEOMGUVFQAQHT-TXEJJXNPSA-N 1 2 289.335 0.995 20 30 CCEDLO N#CC1(COC(=O)Cc2cn3c([nH+]2)CCCC3)COC1 ZINC000845571327 643329888 /nfs/dbraw/zinc/32/98/88/643329888.db2.gz CYWZRFGBUGVVMK-UHFFFAOYSA-N 1 2 275.308 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nonc1C ZINC001018129829 650844759 /nfs/dbraw/zinc/84/47/59/650844759.db2.gz ZAYGLQIEHNJLEU-TXEJJXNPSA-N 1 2 274.324 0.229 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nonc1C ZINC001018129829 650844760 /nfs/dbraw/zinc/84/47/60/650844760.db2.gz ZAYGLQIEHNJLEU-TXEJJXNPSA-N 1 2 274.324 0.229 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000846826196 643459882 /nfs/dbraw/zinc/45/98/82/643459882.db2.gz PVTSBRIJNHMLQE-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO O=C(N[C@H]1CCCN(O)C1=O)c1cccc2[nH+]ccn21 ZINC000848135811 643605469 /nfs/dbraw/zinc/60/54/69/643605469.db2.gz HVRKEVZPALKKAT-VIFPVBQESA-N 1 2 274.280 0.444 20 30 CCEDLO NS(=O)(=O)c1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848416564 643634186 /nfs/dbraw/zinc/63/41/86/643634186.db2.gz PQLODMCFZBYLGP-UHFFFAOYSA-N 1 2 297.340 0.137 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC1(C#N)CCOCC1 ZINC000850299238 643792700 /nfs/dbraw/zinc/79/27/00/643792700.db2.gz YXELKGJDLVVEPJ-CYBMUJFWSA-N 1 2 296.367 0.961 20 30 CCEDLO CC[N@H+](CCC#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851798630 643885376 /nfs/dbraw/zinc/88/53/76/643885376.db2.gz RVLLAICMDVEXIL-CQSZACIVSA-N 1 2 261.325 0.595 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851798630 643885382 /nfs/dbraw/zinc/88/53/82/643885382.db2.gz RVLLAICMDVEXIL-CQSZACIVSA-N 1 2 261.325 0.595 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CCC1 ZINC000852296309 643950465 /nfs/dbraw/zinc/95/04/65/643950465.db2.gz ULKNUEXMJLVDPU-UHFFFAOYSA-N 1 2 288.351 0.419 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)CCC1 ZINC000852296309 643950470 /nfs/dbraw/zinc/95/04/70/643950470.db2.gz ULKNUEXMJLVDPU-UHFFFAOYSA-N 1 2 288.351 0.419 20 30 CCEDLO OC1CCN(c2ccc(C=[NH+]NC3=NCCN3)cc2)CC1 ZINC000853358112 644101527 /nfs/dbraw/zinc/10/15/27/644101527.db2.gz ULAXKOZLXQASJK-UHFFFAOYSA-N 1 2 287.367 0.530 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001019406455 650969702 /nfs/dbraw/zinc/96/97/02/650969702.db2.gz CTQMQLNFZXSGKW-QJPTWQEYSA-N 1 2 273.340 0.238 20 30 CCEDLO C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000865178789 645335580 /nfs/dbraw/zinc/33/55/80/645335580.db2.gz FWHVXVYZGIFWGO-KCQAQPDRSA-N 1 2 295.383 0.532 20 30 CCEDLO N#Cc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)nc1 ZINC000868358970 645756634 /nfs/dbraw/zinc/75/66/34/645756634.db2.gz INUNCRQGRCJVIP-OWOJBTEDSA-N 1 2 286.335 0.458 20 30 CCEDLO C=CC[N@H+](CCC1OCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000124947002 646443566 /nfs/dbraw/zinc/44/35/66/646443566.db2.gz DMLOKGHYQXMTPT-LLVKDONJSA-N 1 2 275.370 0.425 20 30 CCEDLO C=CC[N@@H+](CCC1OCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000124947002 646443570 /nfs/dbraw/zinc/44/35/70/646443570.db2.gz DMLOKGHYQXMTPT-LLVKDONJSA-N 1 2 275.370 0.425 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)n2c1 ZINC000877749012 646838036 /nfs/dbraw/zinc/83/80/36/646838036.db2.gz PITWKKXHKOSGPX-OLZOCXBDSA-N 1 2 272.308 0.133 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)n2c1 ZINC000877749012 646838039 /nfs/dbraw/zinc/83/80/39/646838039.db2.gz PITWKKXHKOSGPX-OLZOCXBDSA-N 1 2 272.308 0.133 20 30 CCEDLO Cn1nnnc1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000879916056 647126973 /nfs/dbraw/zinc/12/69/73/647126973.db2.gz WAUYOWSZOKUUSX-NSHDSACASA-N 1 2 273.344 0.833 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000128692629 647270698 /nfs/dbraw/zinc/27/06/98/647270698.db2.gz ROYXKICYPLKXLE-NSHDSACASA-N 1 2 258.325 0.554 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000881892359 647347806 /nfs/dbraw/zinc/34/78/06/647347806.db2.gz UCOIROKWGKRAHC-JTQLQIEISA-N 1 2 261.329 0.789 20 30 CCEDLO Cc1nc(C#N)cc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000881892359 647347812 /nfs/dbraw/zinc/34/78/12/647347812.db2.gz UCOIROKWGKRAHC-JTQLQIEISA-N 1 2 261.329 0.789 20 30 CCEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCCn1cc[nH+]c1 ZINC000132601567 647556744 /nfs/dbraw/zinc/55/67/44/647556744.db2.gz GNNUPRAGCORGKU-UHFFFAOYSA-N 1 2 283.287 0.780 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000887673016 648137873 /nfs/dbraw/zinc/13/78/73/648137873.db2.gz MUZVWJDIXGSAFA-BXUZGUMPSA-N 1 2 274.324 0.587 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887688580 648143520 /nfs/dbraw/zinc/14/35/20/648143520.db2.gz MVRRSVSYRCSSQE-ZWNOBZJWSA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887688580 648143527 /nfs/dbraw/zinc/14/35/27/648143527.db2.gz MVRRSVSYRCSSQE-ZWNOBZJWSA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@@H](CC(=O)N1CCO[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690832 648144501 /nfs/dbraw/zinc/14/45/01/648144501.db2.gz UXTXSWOIVALFKM-WCQYABFASA-N 1 2 262.313 0.975 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000932152245 649054279 /nfs/dbraw/zinc/05/42/79/649054279.db2.gz OOFOCKUTYMVWLO-QWHCGFSZSA-N 1 2 268.357 0.514 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000932152245 649054281 /nfs/dbraw/zinc/05/42/81/649054281.db2.gz OOFOCKUTYMVWLO-QWHCGFSZSA-N 1 2 268.357 0.514 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932963341 649107393 /nfs/dbraw/zinc/10/73/93/649107393.db2.gz UIOXIZYPUCGTMH-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932963341 649107395 /nfs/dbraw/zinc/10/73/95/649107395.db2.gz UIOXIZYPUCGTMH-JTQLQIEISA-N 1 2 297.355 0.808 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCOc2ccccc2[C@@H]1CO ZINC000933380497 649119740 /nfs/dbraw/zinc/11/97/40/649119740.db2.gz OWBZQFODZGKUMO-YPMHNXCESA-N 1 2 262.309 0.689 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCOc2ccccc2[C@@H]1CO ZINC000933380497 649119741 /nfs/dbraw/zinc/11/97/41/649119741.db2.gz OWBZQFODZGKUMO-YPMHNXCESA-N 1 2 262.309 0.689 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)CO)CCO2)cc1 ZINC000933624102 649130263 /nfs/dbraw/zinc/13/02/63/649130263.db2.gz HCQNVFNYUBPOSD-KBPBESRZSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)CO)CCO2)cc1 ZINC000933624102 649130268 /nfs/dbraw/zinc/13/02/68/649130268.db2.gz HCQNVFNYUBPOSD-KBPBESRZSA-N 1 2 262.309 0.285 20 30 CCEDLO C=CC[NH+]1CCN(c2ncncc2C(=O)OCC)CC1 ZINC001165033431 721862903 /nfs/dbraw/zinc/86/29/03/721862903.db2.gz ONTYMSGQTZODCT-UHFFFAOYSA-N 1 2 276.340 0.961 20 30 CCEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cncnc2)C3)C1 ZINC001277447877 805584821 /nfs/dbraw/zinc/58/48/21/805584821.db2.gz DNIYUIPXOATLTD-CQSZACIVSA-N 1 2 297.362 0.671 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccncc1C ZINC001266273687 790376675 /nfs/dbraw/zinc/37/66/75/790376675.db2.gz XZEYMMPXCWBUGQ-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccncc1C ZINC001266273687 790376688 /nfs/dbraw/zinc/37/66/88/790376688.db2.gz XZEYMMPXCWBUGQ-UHFFFAOYSA-N 1 2 290.367 0.354 20 30 CCEDLO C[N@H+](CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21)CC(=O)NCC#N ZINC001266291029 790430361 /nfs/dbraw/zinc/43/03/61/790430361.db2.gz SAFUDOKMHONKEA-RWMBFGLXSA-N 1 2 292.383 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21)CC(=O)NCC#N ZINC001266291029 790430368 /nfs/dbraw/zinc/43/03/68/790430368.db2.gz SAFUDOKMHONKEA-RWMBFGLXSA-N 1 2 292.383 0.110 20 30 CCEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H](C(N)=O)C3)c2c1 ZINC001167074136 790437009 /nfs/dbraw/zinc/43/70/09/790437009.db2.gz LHBQHBCFGJVPAI-CYBMUJFWSA-N 1 2 282.303 0.797 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H](C)COC)CC1 ZINC001266295021 790444654 /nfs/dbraw/zinc/44/46/54/790444654.db2.gz TTZXPOSHSUMVRD-AWEZNQCLSA-N 1 2 281.400 0.026 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001266318053 790494205 /nfs/dbraw/zinc/49/42/05/790494205.db2.gz XYWGGTNUFOSUBW-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001266318053 790494209 /nfs/dbraw/zinc/49/42/09/790494209.db2.gz XYWGGTNUFOSUBW-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)C1 ZINC001266353570 790572215 /nfs/dbraw/zinc/57/22/15/790572215.db2.gz XUGHJAYLUNAAJK-LLVKDONJSA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)C1 ZINC001266353570 790572222 /nfs/dbraw/zinc/57/22/22/790572222.db2.gz XUGHJAYLUNAAJK-LLVKDONJSA-N 1 2 287.791 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)(F)F)[C@H]2C1 ZINC001083195988 790637826 /nfs/dbraw/zinc/63/78/26/790637826.db2.gz AFKCOGCKKBQKCT-GRYCIOLGSA-N 1 2 286.322 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)(F)F)[C@H]2C1 ZINC001083195988 790637830 /nfs/dbraw/zinc/63/78/30/790637830.db2.gz AFKCOGCKKBQKCT-GRYCIOLGSA-N 1 2 286.322 0.823 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266511400 790832263 /nfs/dbraw/zinc/83/22/63/790832263.db2.gz MLYPJUQESCCDRQ-ZDUSSCGKSA-N 1 2 289.383 0.855 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266511400 790832275 /nfs/dbraw/zinc/83/22/75/790832275.db2.gz MLYPJUQESCCDRQ-ZDUSSCGKSA-N 1 2 289.383 0.855 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001266596340 791001915 /nfs/dbraw/zinc/00/19/15/791001915.db2.gz BADQLUVXRNPYRV-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001266596340 791001920 /nfs/dbraw/zinc/00/19/20/791001920.db2.gz BADQLUVXRNPYRV-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)COCC ZINC001230694355 805649563 /nfs/dbraw/zinc/64/95/63/805649563.db2.gz BJDCDWIJQRKMGB-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)COCC ZINC001230694355 805649571 /nfs/dbraw/zinc/64/95/71/805649571.db2.gz BJDCDWIJQRKMGB-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OC ZINC001230939020 805694166 /nfs/dbraw/zinc/69/41/66/805694166.db2.gz RFHOWJIPYLHNDH-STQMWFEESA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OC ZINC001230939020 805694169 /nfs/dbraw/zinc/69/41/69/805694169.db2.gz RFHOWJIPYLHNDH-STQMWFEESA-N 1 2 268.357 0.204 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001231168839 805743528 /nfs/dbraw/zinc/74/35/28/805743528.db2.gz BQJBGZDMCXNNBZ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001231168839 805743531 /nfs/dbraw/zinc/74/35/31/805743531.db2.gz BQJBGZDMCXNNBZ-NWDGAFQWSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001231168834 805743702 /nfs/dbraw/zinc/74/37/02/805743702.db2.gz BQJBGZDMCXNNBZ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001231168834 805743709 /nfs/dbraw/zinc/74/37/09/805743709.db2.gz BQJBGZDMCXNNBZ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001231410565 805797838 /nfs/dbraw/zinc/79/78/38/805797838.db2.gz JZKFRLMNJGZYAG-GXTWGEPZSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001231410565 805797840 /nfs/dbraw/zinc/79/78/40/805797840.db2.gz JZKFRLMNJGZYAG-GXTWGEPZSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC001277594268 805875827 /nfs/dbraw/zinc/87/58/27/805875827.db2.gz XUJOFDFKERMECV-UHFFFAOYSA-N 1 2 292.383 0.687 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001277594288 805878193 /nfs/dbraw/zinc/87/81/93/805878193.db2.gz YEXJAOHUTMQIMY-UHFFFAOYSA-N 1 2 292.383 0.308 20 30 CCEDLO N#Cc1ccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)nc1 ZINC001277687281 805960894 /nfs/dbraw/zinc/96/08/94/805960894.db2.gz LKZNXFZAGQBTIJ-UHFFFAOYSA-N 1 2 280.335 0.999 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC001232844764 805988284 /nfs/dbraw/zinc/98/82/84/805988284.db2.gz CTKTVNAIFBSTHS-LBPRGKRZSA-N 1 2 279.365 0.909 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)s1 ZINC001232844764 805988288 /nfs/dbraw/zinc/98/82/88/805988288.db2.gz CTKTVNAIFBSTHS-LBPRGKRZSA-N 1 2 279.365 0.909 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001232926837 805997859 /nfs/dbraw/zinc/99/78/59/805997859.db2.gz FEOMDGVNQCCXTG-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO N#CCNC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266881717 791319540 /nfs/dbraw/zinc/31/95/40/791319540.db2.gz SWEFKDIDCSLMCM-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001266928784 791362052 /nfs/dbraw/zinc/36/20/52/791362052.db2.gz XGUCRXZKOYXGLG-VHSXEESVSA-N 1 2 282.344 0.736 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3oncc3C)[C@H]2C1 ZINC001083237518 791493259 /nfs/dbraw/zinc/49/32/59/791493259.db2.gz IHWGKBYFAAVGEF-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oncc3C)[C@H]2C1 ZINC001083237518 791493262 /nfs/dbraw/zinc/49/32/62/791493262.db2.gz IHWGKBYFAAVGEF-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)Cc1ccnc(OC)n1 ZINC001267188787 791642890 /nfs/dbraw/zinc/64/28/90/791642890.db2.gz SYWGFDWWDPVBDJ-UHFFFAOYSA-N 1 2 278.356 0.999 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)Cc1ccnc(OC)n1 ZINC001267188787 791642893 /nfs/dbraw/zinc/64/28/93/791642893.db2.gz SYWGFDWWDPVBDJ-UHFFFAOYSA-N 1 2 278.356 0.999 20 30 CCEDLO Cc1nocc1C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267189393 791647579 /nfs/dbraw/zinc/64/75/79/791647579.db2.gz UXSYNOKOVHCQOO-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1nocc1C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267189393 791647582 /nfs/dbraw/zinc/64/75/82/791647582.db2.gz UXSYNOKOVHCQOO-VIFPVBQESA-N 1 2 250.302 0.691 20 30 CCEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCC1 ZINC001267215886 791686886 /nfs/dbraw/zinc/68/68/86/791686886.db2.gz QEKZUSXJKRFQES-UHFFFAOYSA-N 1 2 253.346 0.266 20 30 CCEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(N)=O)CCC1 ZINC001267215886 791686890 /nfs/dbraw/zinc/68/68/90/791686890.db2.gz QEKZUSXJKRFQES-UHFFFAOYSA-N 1 2 253.346 0.266 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC001233819365 806126264 /nfs/dbraw/zinc/12/62/64/806126264.db2.gz MFWDPGMFFAAACA-CQSZACIVSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC001233819365 806126268 /nfs/dbraw/zinc/12/62/68/806126268.db2.gz MFWDPGMFFAAACA-CQSZACIVSA-N 1 2 288.351 0.273 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1 ZINC001277810664 806128722 /nfs/dbraw/zinc/12/87/22/806128722.db2.gz OOKFICSIJSWDDY-GXFFZTMASA-N 1 2 298.412 0.802 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012650 806168848 /nfs/dbraw/zinc/16/88/48/806168848.db2.gz POQIBUYRQOKVHY-NSHDSACASA-N 1 2 261.329 0.399 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001234119889 806185052 /nfs/dbraw/zinc/18/50/52/806185052.db2.gz RSVKOBAMFSYWBA-CQSZACIVSA-N 1 2 291.395 0.411 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001234119889 806185055 /nfs/dbraw/zinc/18/50/55/806185055.db2.gz RSVKOBAMFSYWBA-CQSZACIVSA-N 1 2 291.395 0.411 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205941 806203998 /nfs/dbraw/zinc/20/39/98/806203998.db2.gz MPPWYUVSKVUDNN-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205941 806204001 /nfs/dbraw/zinc/20/40/01/806204001.db2.gz MPPWYUVSKVUDNN-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001234414971 806240286 /nfs/dbraw/zinc/24/02/86/806240286.db2.gz QNWVDSFGTSGTKM-DZKIICNBSA-N 1 2 292.379 0.205 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001234414971 806240289 /nfs/dbraw/zinc/24/02/89/806240289.db2.gz QNWVDSFGTSGTKM-DZKIICNBSA-N 1 2 292.379 0.205 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001237599529 806694602 /nfs/dbraw/zinc/69/46/02/806694602.db2.gz KICHECFRLWHRGZ-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001237599529 806694604 /nfs/dbraw/zinc/69/46/04/806694604.db2.gz KICHECFRLWHRGZ-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc[nH]n3)C2)C1=O ZINC001237599529 806694608 /nfs/dbraw/zinc/69/46/08/806694608.db2.gz KICHECFRLWHRGZ-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc[nH]n3)C2)C1=O ZINC001237599529 806694611 /nfs/dbraw/zinc/69/46/11/806694611.db2.gz KICHECFRLWHRGZ-AWEZNQCLSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc2coc(C)n2)C1 ZINC001278148015 806717875 /nfs/dbraw/zinc/71/78/75/806717875.db2.gz PYIFGMZKIXRSQK-GFCCVEGCSA-N 1 2 293.367 0.906 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001123662353 799450877 /nfs/dbraw/zinc/45/08/77/799450877.db2.gz LXTNYNBAKCMODW-AWEZNQCLSA-N 1 2 298.431 0.514 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123792099 799475087 /nfs/dbraw/zinc/47/50/87/799475087.db2.gz IELJKGDOBGFPTG-UHFFFAOYSA-N 1 2 283.357 0.095 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857888 799749467 /nfs/dbraw/zinc/74/94/67/799749467.db2.gz XYEULUFZBMJYBM-RYUDHWBXSA-N 1 2 287.367 0.883 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC)n2)CC1 ZINC001139105110 799780785 /nfs/dbraw/zinc/78/07/85/799780785.db2.gz LNHCKBDHVWGBRR-UHFFFAOYSA-N 1 2 275.352 0.850 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C1(C#N)CC1 ZINC001143188201 800204394 /nfs/dbraw/zinc/20/43/94/800204394.db2.gz AYIFKPQQESVTSZ-NSHDSACASA-N 1 2 290.323 0.314 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001149693798 800291046 /nfs/dbraw/zinc/29/10/46/800291046.db2.gz CGQOYGJUMYULFH-CYBMUJFWSA-N 1 2 268.332 0.576 20 30 CCEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001149693798 800291051 /nfs/dbraw/zinc/29/10/51/800291051.db2.gz CGQOYGJUMYULFH-CYBMUJFWSA-N 1 2 268.332 0.576 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001149788578 800298603 /nfs/dbraw/zinc/29/86/03/800298603.db2.gz HBYJBPDTDYDCDA-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001149788578 800298605 /nfs/dbraw/zinc/29/86/05/800298605.db2.gz HBYJBPDTDYDCDA-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151969184 800475155 /nfs/dbraw/zinc/47/51/55/800475155.db2.gz XKNBEGDNBLOBEF-JTQLQIEISA-N 1 2 255.281 0.500 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001152370397 800513887 /nfs/dbraw/zinc/51/38/87/800513887.db2.gz DNPKJRGJIJFUSN-GFCCVEGCSA-N 1 2 295.387 0.344 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001152370397 800513890 /nfs/dbraw/zinc/51/38/90/800513890.db2.gz DNPKJRGJIJFUSN-GFCCVEGCSA-N 1 2 295.387 0.344 20 30 CCEDLO CCn1cc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N)nn1 ZINC001152412607 800519286 /nfs/dbraw/zinc/51/92/86/800519286.db2.gz CCZWGDUIDLTJIN-NWDGAFQWSA-N 1 2 292.387 0.784 20 30 CCEDLO CCn1cc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N)nn1 ZINC001152412607 800519290 /nfs/dbraw/zinc/51/92/90/800519290.db2.gz CCZWGDUIDLTJIN-NWDGAFQWSA-N 1 2 292.387 0.784 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001153090904 800595352 /nfs/dbraw/zinc/59/53/52/800595352.db2.gz AVOTWGRSHHBGKA-JTQLQIEISA-N 1 2 282.344 0.738 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001153135270 800600209 /nfs/dbraw/zinc/60/02/09/800600209.db2.gz ORURIIUSWACADY-NSHDSACASA-N 1 2 296.371 0.990 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccn3ncnc3c2)CC1 ZINC001155583862 801017671 /nfs/dbraw/zinc/01/76/71/801017671.db2.gz XGKFERIZCZFAIV-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1cncc(Cl)n1 ZINC001156332726 801152394 /nfs/dbraw/zinc/15/23/94/801152394.db2.gz NPSHKOMLCFAUGI-OIBJUYFYSA-N 1 2 271.683 0.559 20 30 CCEDLO N#CC1(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)CCOCC1 ZINC001156977269 801276418 /nfs/dbraw/zinc/27/64/18/801276418.db2.gz QKWWJDNSJDKJNG-UHFFFAOYSA-N 1 2 285.307 0.948 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(C#N)cc1C#N ZINC001157770536 801476881 /nfs/dbraw/zinc/47/68/81/801476881.db2.gz LQGNWWUQZFBMSS-GFCCVEGCSA-N 1 2 285.307 0.118 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(C#N)cc1C#N ZINC001157770536 801476884 /nfs/dbraw/zinc/47/68/84/801476884.db2.gz LQGNWWUQZFBMSS-GFCCVEGCSA-N 1 2 285.307 0.118 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(C)c1C#N ZINC001157770306 801477562 /nfs/dbraw/zinc/47/75/62/801477562.db2.gz HKRKLLVNKQSOCY-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(C)c1C#N ZINC001157770306 801477568 /nfs/dbraw/zinc/47/75/68/801477568.db2.gz HKRKLLVNKQSOCY-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(F)c1C#N ZINC001157774050 801481012 /nfs/dbraw/zinc/48/10/12/801481012.db2.gz VHOPAQUMLZFKKH-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(F)c1C#N ZINC001157774050 801481018 /nfs/dbraw/zinc/48/10/18/801481018.db2.gz VHOPAQUMLZFKKH-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)c(C#N)cn2)C[NH2+]1 ZINC001158253826 801603496 /nfs/dbraw/zinc/60/34/96/801603496.db2.gz DSQNOWJCLNOCDR-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)c1ccc(C(=N)Nc2cc[nH+]c(N)n2)cc1 ZINC001159856227 801881580 /nfs/dbraw/zinc/88/15/80/801881580.db2.gz IMIDQKYIBVZRCY-UHFFFAOYSA-N 1 2 271.280 0.882 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C)cc1/C=N/O ZINC001161950682 802256471 /nfs/dbraw/zinc/25/64/71/802256471.db2.gz YHOBIWSLIVBXIO-WTSVEOLSSA-N 1 2 266.301 0.500 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001162682789 802389293 /nfs/dbraw/zinc/38/92/93/802389293.db2.gz HEFZRRXHPIORTN-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001162682789 802389298 /nfs/dbraw/zinc/38/92/98/802389298.db2.gz HEFZRRXHPIORTN-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001278843360 808319743 /nfs/dbraw/zinc/31/97/43/808319743.db2.gz AEHZTLHEMGLZTF-CYBMUJFWSA-N 1 2 282.384 0.378 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H]1C ZINC001264713338 809674604 /nfs/dbraw/zinc/67/46/04/809674604.db2.gz WJJQFMHJUQPBMQ-MNOVXSKESA-N 1 2 292.339 0.169 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H]1C ZINC001264713338 809674607 /nfs/dbraw/zinc/67/46/07/809674607.db2.gz WJJQFMHJUQPBMQ-MNOVXSKESA-N 1 2 292.339 0.169 20 30 CCEDLO CCc1nc(C#N)cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)n1 ZINC001164305535 802715750 /nfs/dbraw/zinc/71/57/50/802715750.db2.gz YHZRCOHKSKQDCZ-UWVGGRQHSA-N 1 2 275.312 0.226 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc3c(c2C#N)CCC3)C[NH2+]1 ZINC001164306940 802715804 /nfs/dbraw/zinc/71/58/04/802715804.db2.gz QRNPJWGQAPMEIG-GWCFXTLKSA-N 1 2 286.335 0.757 20 30 CCEDLO CCOC(=O)Cc1cccnc1N1CC[NH2+]C[C@H]1C#N ZINC001164641718 802774146 /nfs/dbraw/zinc/77/41/46/802774146.db2.gz NYBRULONSNHLJM-GFCCVEGCSA-N 1 2 274.324 0.489 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)nc2[nH]cnc21 ZINC001164641896 802774506 /nfs/dbraw/zinc/77/45/06/802774506.db2.gz PCXJKCACRVZZCW-SSDOTTSWSA-N 1 2 262.704 0.913 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001164651692 802775605 /nfs/dbraw/zinc/77/56/05/802775605.db2.gz KMYLWSOJTFVQSV-CQSZACIVSA-N 1 2 297.362 0.955 20 30 CCEDLO N#Cc1cc2nc(N3CC[NH2+]C[C@H]3C#N)ccc2[nH]1 ZINC001164651677 802775788 /nfs/dbraw/zinc/77/57/88/802775788.db2.gz KIWYZICGFOBXIP-SNVBAGLBSA-N 1 2 252.281 0.736 20 30 CCEDLO COCCn1ccc2c1ncnc2N1CC[NH2+]C[C@H]1C#N ZINC001164652853 802776191 /nfs/dbraw/zinc/77/61/91/802776191.db2.gz UHLNRCWHYUNQET-LLVKDONJSA-N 1 2 286.339 0.379 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001105247094 811872600 /nfs/dbraw/zinc/87/26/00/811872600.db2.gz OWLRLDKEVCIQDQ-UHFFFAOYSA-N 1 2 298.350 0.416 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C ZINC001203764271 803045303 /nfs/dbraw/zinc/04/53/03/803045303.db2.gz IQQKAAVVZQIWIR-CQSZACIVSA-N 1 2 273.336 0.847 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C ZINC001203764271 803045308 /nfs/dbraw/zinc/04/53/08/803045308.db2.gz IQQKAAVVZQIWIR-CQSZACIVSA-N 1 2 273.336 0.847 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(CNCC#N)CC1 ZINC001205741449 803169071 /nfs/dbraw/zinc/16/90/71/803169071.db2.gz GAOZZAXKOLYZDY-UHFFFAOYSA-N 1 2 289.383 0.704 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207023091 803335247 /nfs/dbraw/zinc/33/52/47/803335247.db2.gz QEFQYRAHOWYBFA-IWSPIJDZSA-N 1 2 266.238 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207023091 803335238 /nfs/dbraw/zinc/33/52/38/803335238.db2.gz QEFQYRAHOWYBFA-IWSPIJDZSA-N 1 2 266.238 0.957 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207138777 803358171 /nfs/dbraw/zinc/35/81/71/803358171.db2.gz UARPDQPWKFDAFK-PSASIEDQSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207138777 803358173 /nfs/dbraw/zinc/35/81/73/803358173.db2.gz UARPDQPWKFDAFK-PSASIEDQSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208509257 803520028 /nfs/dbraw/zinc/52/00/28/803520028.db2.gz XVLQIEKVYZUPGY-GYSYKLTISA-N 1 2 267.373 0.511 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208509257 803520031 /nfs/dbraw/zinc/52/00/31/803520031.db2.gz XVLQIEKVYZUPGY-GYSYKLTISA-N 1 2 267.373 0.511 20 30 CCEDLO CCC[N@H+](CCC#N)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209273856 803586104 /nfs/dbraw/zinc/58/61/04/803586104.db2.gz HCKOOXUTVXCGNT-FRRDWIJNSA-N 1 2 286.372 0.485 20 30 CCEDLO CCC[N@@H+](CCC#N)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209273856 803586110 /nfs/dbraw/zinc/58/61/10/803586110.db2.gz HCKOOXUTVXCGNT-FRRDWIJNSA-N 1 2 286.372 0.485 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCC[C@H](C#N)C2)O1 ZINC001209276194 803586312 /nfs/dbraw/zinc/58/63/12/803586312.db2.gz VUTIEERGUMHQIV-FVCCEPFGSA-N 1 2 284.356 0.095 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCC[C@H](C#N)C2)O1 ZINC001209276194 803586315 /nfs/dbraw/zinc/58/63/15/803586315.db2.gz VUTIEERGUMHQIV-FVCCEPFGSA-N 1 2 284.356 0.095 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@H](OC)C1 ZINC001213169713 803684805 /nfs/dbraw/zinc/68/48/05/803684805.db2.gz MBXOCTNMKSPFDW-VXGBXAGGSA-N 1 2 268.357 0.108 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@H](OC)C1 ZINC001213169713 803684807 /nfs/dbraw/zinc/68/48/07/803684807.db2.gz MBXOCTNMKSPFDW-VXGBXAGGSA-N 1 2 268.357 0.108 20 30 CCEDLO N#Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(O)c1 ZINC001218988277 804176616 /nfs/dbraw/zinc/17/66/16/804176616.db2.gz HFVVMKMXBZJRMY-JTQLQIEISA-N 1 2 271.280 0.495 20 30 CCEDLO N#Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(O)c1 ZINC001218988277 804176621 /nfs/dbraw/zinc/17/66/21/804176621.db2.gz HFVVMKMXBZJRMY-JTQLQIEISA-N 1 2 271.280 0.495 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216753 804241819 /nfs/dbraw/zinc/24/18/19/804241819.db2.gz WDAMHTSRTSCFFJ-AXFHLTTASA-N 1 2 289.376 0.153 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216753 804241826 /nfs/dbraw/zinc/24/18/26/804241826.db2.gz WDAMHTSRTSCFFJ-AXFHLTTASA-N 1 2 289.376 0.153 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@@H](O)C1 ZINC001219385517 804294221 /nfs/dbraw/zinc/29/42/21/804294221.db2.gz OSSNWPBLADEOJT-NCRJZKAISA-N 1 2 294.395 0.400 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@@H](O)C1 ZINC001219385517 804294226 /nfs/dbraw/zinc/29/42/26/804294226.db2.gz OSSNWPBLADEOJT-NCRJZKAISA-N 1 2 294.395 0.400 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)CC2(C#N)CC2)c1 ZINC001212095697 815007177 /nfs/dbraw/zinc/00/71/77/815007177.db2.gz ADNNSZBALLCQBN-UHFFFAOYSA-N 1 2 268.342 0.186 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001219581118 804358022 /nfs/dbraw/zinc/35/80/22/804358022.db2.gz HIXJVQWQNFYNOM-CABCVRRESA-N 1 2 287.363 0.402 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001219581118 804358028 /nfs/dbraw/zinc/35/80/28/804358028.db2.gz HIXJVQWQNFYNOM-CABCVRRESA-N 1 2 287.363 0.402 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219670018 804400026 /nfs/dbraw/zinc/40/00/26/804400026.db2.gz LUUZDZYGXWTXCX-HRDYMLBCSA-N 1 2 284.253 0.624 20 30 CCEDLO C=CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219670018 804400034 /nfs/dbraw/zinc/40/00/34/804400034.db2.gz LUUZDZYGXWTXCX-HRDYMLBCSA-N 1 2 284.253 0.624 20 30 CCEDLO C=C(Cl)CN1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220101772 804499881 /nfs/dbraw/zinc/49/98/81/804499881.db2.gz BLHOYRTYXVMSES-NEPJUHHUSA-N 1 2 298.774 0.187 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001220140868 804510918 /nfs/dbraw/zinc/51/09/18/804510918.db2.gz BXKQTFYXUKDDDF-OLZOCXBDSA-N 1 2 292.383 0.294 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220381611 804589790 /nfs/dbraw/zinc/58/97/90/804589790.db2.gz SRQTUKBRNCHIEG-BBBLOLIVSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220381611 804589795 /nfs/dbraw/zinc/58/97/95/804589795.db2.gz SRQTUKBRNCHIEG-BBBLOLIVSA-N 1 2 260.284 0.072 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC(C)(C)C)[C@@H](O)C1 ZINC001220585953 804632108 /nfs/dbraw/zinc/63/21/08/804632108.db2.gz FFPHOXUYTAOAQL-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC(C)(C)C)[C@@H](O)C1 ZINC001220585953 804632111 /nfs/dbraw/zinc/63/21/11/804632111.db2.gz FFPHOXUYTAOAQL-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC001221211338 804747307 /nfs/dbraw/zinc/74/73/07/804747307.db2.gz JDUZMFQKNHCTES-GHMZBOCLSA-N 1 2 272.295 0.434 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC001221211338 804747312 /nfs/dbraw/zinc/74/73/12/804747312.db2.gz JDUZMFQKNHCTES-GHMZBOCLSA-N 1 2 272.295 0.434 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536234 804829867 /nfs/dbraw/zinc/82/98/67/804829867.db2.gz FSMMYBOXCQPSCQ-JHJVBQTASA-N 1 2 291.395 0.442 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536234 804829878 /nfs/dbraw/zinc/82/98/78/804829878.db2.gz FSMMYBOXCQPSCQ-JHJVBQTASA-N 1 2 291.395 0.442 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001276825258 804845832 /nfs/dbraw/zinc/84/58/32/804845832.db2.gz YXMOFWSSVMKDNP-OCCSQVGLSA-N 1 2 264.369 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001276825258 804845836 /nfs/dbraw/zinc/84/58/36/804845836.db2.gz YXMOFWSSVMKDNP-OCCSQVGLSA-N 1 2 264.369 0.873 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(c3ccc(C#N)cc3)C2)C1 ZINC001276958405 805017389 /nfs/dbraw/zinc/01/73/89/805017389.db2.gz NFDLYKSDYHJTAS-UHFFFAOYSA-N 1 2 284.363 0.768 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001276980226 805053497 /nfs/dbraw/zinc/05/34/97/805053497.db2.gz TYWBRBJOIPKVMI-RYUDHWBXSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001276980226 805053507 /nfs/dbraw/zinc/05/35/07/805053507.db2.gz TYWBRBJOIPKVMI-RYUDHWBXSA-N 1 2 289.335 0.222 20 30 CCEDLO COC(=O)c1ccncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225518589 805137421 /nfs/dbraw/zinc/13/74/21/805137421.db2.gz BSWGOXOOPRJXID-LSVRBPJHSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1ccncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225518589 805137429 /nfs/dbraw/zinc/13/74/29/805137429.db2.gz BSWGOXOOPRJXID-LSVRBPJHSA-N 1 2 290.319 0.859 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001226570333 805248433 /nfs/dbraw/zinc/24/84/33/805248433.db2.gz AMHFWLPPWQZOKT-UHFFFAOYSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCNC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001277173667 805309427 /nfs/dbraw/zinc/30/94/27/805309427.db2.gz FZZYOFWRASPVTJ-UHFFFAOYSA-N 1 2 261.329 0.423 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001228024016 805408147 /nfs/dbraw/zinc/40/81/47/805408147.db2.gz RRTYPYKHLOXDKF-NSHDSACASA-N 1 2 286.397 0.023 20 30 CCEDLO COc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228561910 805455245 /nfs/dbraw/zinc/45/52/45/805455245.db2.gz SVAYAQXZGPZFSH-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO COc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228561910 805455248 /nfs/dbraw/zinc/45/52/48/805455248.db2.gz SVAYAQXZGPZFSH-ADAFDVPTSA-N 1 2 263.297 0.476 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(-c4ccncc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228700275 805471671 /nfs/dbraw/zinc/47/16/71/805471671.db2.gz PPXHIURPGDPZIE-HALBRFILSA-N 1 2 299.334 0.858 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c(-c4ccncc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228700275 805471677 /nfs/dbraw/zinc/47/16/77/805471677.db2.gz PPXHIURPGDPZIE-HALBRFILSA-N 1 2 299.334 0.858 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(C(=O)NO)ccc1O ZINC001229969191 805570693 /nfs/dbraw/zinc/57/06/93/805570693.db2.gz VPWFLZDTKPCVQK-JTQLQIEISA-N 1 2 296.323 0.611 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N/C=C/C(=O)C(F)(F)F)C[NH2+]1 ZINC001246261563 807201823 /nfs/dbraw/zinc/20/18/23/807201823.db2.gz RAVBBSKHJYELPH-DIZYNNQWSA-N 1 2 266.219 0.125 20 30 CCEDLO C=CCCCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001247740133 807484943 /nfs/dbraw/zinc/48/49/43/807484943.db2.gz YQDSYDZPUBHLTD-LLVKDONJSA-N 1 2 285.413 0.616 20 30 CCEDLO C=CCCCNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001247740133 807484948 /nfs/dbraw/zinc/48/49/48/807484948.db2.gz YQDSYDZPUBHLTD-LLVKDONJSA-N 1 2 285.413 0.616 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278494245 807492315 /nfs/dbraw/zinc/49/23/15/807492315.db2.gz OBVSJQYBQUKESU-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278494245 807492322 /nfs/dbraw/zinc/49/23/22/807492322.db2.gz OBVSJQYBQUKESU-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126815968 815132472 /nfs/dbraw/zinc/13/24/72/815132472.db2.gz QQFCFXOFJDVLAS-JTQLQIEISA-N 1 2 264.329 0.804 20 30 CCEDLO N#Cc1c(F)cc(NC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC001251034554 807648975 /nfs/dbraw/zinc/64/89/75/807648975.db2.gz ROYJJGOLWRBZJD-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO N#Cc1cc(F)cc(F)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251031787 807649729 /nfs/dbraw/zinc/64/97/29/807649729.db2.gz NXDXXJVYXIUTRE-LBPRGKRZSA-N 1 2 297.305 0.941 20 30 CCEDLO CC(C)C[C@H](C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251044483 807654426 /nfs/dbraw/zinc/65/44/26/807654426.db2.gz YGUQXMRHFZYECS-CHWSQXEVSA-N 1 2 255.362 0.207 20 30 CCEDLO CCC(C#N)(CC)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251047898 807656389 /nfs/dbraw/zinc/65/63/89/807656389.db2.gz XZRGNFGWVAPYHL-LBPRGKRZSA-N 1 2 255.362 0.351 20 30 CCEDLO Cc1nonc1C[NH2+]CCNC(=O)C#CC(C)C ZINC001126828495 815142108 /nfs/dbraw/zinc/14/21/08/815142108.db2.gz WMAPTVLGSCLDOH-UHFFFAOYSA-N 1 2 250.302 0.243 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001252465195 807876530 /nfs/dbraw/zinc/87/65/30/807876530.db2.gz DGAFVQISFVLBFK-GFCCVEGCSA-N 1 2 264.325 0.708 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001252472176 807882495 /nfs/dbraw/zinc/88/24/95/807882495.db2.gz PHSLYFXUKBPRQY-CHWSQXEVSA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001252472176 807882502 /nfs/dbraw/zinc/88/25/02/807882502.db2.gz PHSLYFXUKBPRQY-CHWSQXEVSA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252473864 807885313 /nfs/dbraw/zinc/88/53/13/807885313.db2.gz RLDHGRJANQEXJP-GFCCVEGCSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252473864 807885320 /nfs/dbraw/zinc/88/53/20/807885320.db2.gz RLDHGRJANQEXJP-GFCCVEGCSA-N 1 2 257.330 0.577 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC#N ZINC000434421762 815170647 /nfs/dbraw/zinc/17/06/47/815170647.db2.gz XYHUUSIAQVADQQ-NSHDSACASA-N 1 2 254.334 0.262 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782166 808235002 /nfs/dbraw/zinc/23/50/02/808235002.db2.gz RSVJIQICUSSHRH-ONGXEEELSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782166 808235006 /nfs/dbraw/zinc/23/50/06/808235006.db2.gz RSVJIQICUSSHRH-ONGXEEELSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278782166 808235012 /nfs/dbraw/zinc/23/50/12/808235012.db2.gz RSVJIQICUSSHRH-ONGXEEELSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278782166 808235022 /nfs/dbraw/zinc/23/50/22/808235022.db2.gz RSVJIQICUSSHRH-ONGXEEELSA-N 1 2 296.264 0.463 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[C@H](C#N)C1 ZINC001254651049 808269966 /nfs/dbraw/zinc/26/99/66/808269966.db2.gz ZXURSCBMVVNRFI-LOWVWBTDSA-N 1 2 276.340 0.786 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](O)C1 ZINC001083514431 815195308 /nfs/dbraw/zinc/19/53/08/815195308.db2.gz FQTCRWAKARAYNE-ZJUUUORDSA-N 1 2 296.758 0.170 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](O)C1 ZINC001083514431 815195313 /nfs/dbraw/zinc/19/53/13/815195313.db2.gz FQTCRWAKARAYNE-ZJUUUORDSA-N 1 2 296.758 0.170 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)COC ZINC001255569623 808403626 /nfs/dbraw/zinc/40/36/26/808403626.db2.gz HOIXQKVFXHLZPK-WCQYABFASA-N 1 2 280.372 0.952 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)COC ZINC001255569623 808403629 /nfs/dbraw/zinc/40/36/29/808403629.db2.gz HOIXQKVFXHLZPK-WCQYABFASA-N 1 2 280.372 0.952 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CC(OC)C2)C1 ZINC001278877458 808416961 /nfs/dbraw/zinc/41/69/61/808416961.db2.gz KJGAQTVGZVCGSN-UHFFFAOYSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001278899468 808441610 /nfs/dbraw/zinc/44/16/10/808441610.db2.gz DEKANVVDUIBVRD-UHFFFAOYSA-N 1 2 278.396 0.999 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001257052381 808584114 /nfs/dbraw/zinc/58/41/14/808584114.db2.gz OGWSXVQABMRACL-IJLUTSLNSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC001257228176 808600063 /nfs/dbraw/zinc/60/00/63/808600063.db2.gz GFSPQLRJWROZNI-LLVKDONJSA-N 1 2 290.385 0.118 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+](CCF)CCOC)nc1 ZINC001279055997 808641825 /nfs/dbraw/zinc/64/18/25/808641825.db2.gz KHQMMPDMXSCRSL-UHFFFAOYSA-N 1 2 293.342 0.711 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+](CCF)CCOC)nc1 ZINC001279055997 808641829 /nfs/dbraw/zinc/64/18/29/808641829.db2.gz KHQMMPDMXSCRSL-UHFFFAOYSA-N 1 2 293.342 0.711 20 30 CCEDLO C=CCS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001259926886 808806377 /nfs/dbraw/zinc/80/63/77/808806377.db2.gz GLHZDUYUJZGLEN-UHFFFAOYSA-N 1 2 295.408 0.758 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001265208834 809724669 /nfs/dbraw/zinc/72/46/69/809724669.db2.gz XQLATZJBWPBNNM-AWEZNQCLSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001265208834 809724676 /nfs/dbraw/zinc/72/46/76/809724676.db2.gz XQLATZJBWPBNNM-AWEZNQCLSA-N 1 2 291.395 0.835 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208897 809725278 /nfs/dbraw/zinc/72/52/78/809725278.db2.gz XVWITHGPGKYVQW-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208897 809725282 /nfs/dbraw/zinc/72/52/82/809725282.db2.gz XVWITHGPGKYVQW-AAEUAGOBSA-N 1 2 292.383 0.253 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001265259845 809734705 /nfs/dbraw/zinc/73/47/05/809734705.db2.gz NSNBIQKHSUCOFT-OAHLLOKOSA-N 1 2 290.411 0.990 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCCOC2)CC1 ZINC001265266664 809736258 /nfs/dbraw/zinc/73/62/58/809736258.db2.gz WRNNVLODVWXTAL-HNNXBMFYSA-N 1 2 293.411 0.170 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001265297571 809750892 /nfs/dbraw/zinc/75/08/92/809750892.db2.gz TWRLKTWXFBSLPC-CZUORRHYSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001265297571 809750898 /nfs/dbraw/zinc/75/08/98/809750898.db2.gz TWRLKTWXFBSLPC-CZUORRHYSA-N 1 2 289.379 0.283 20 30 CCEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001265303703 809753841 /nfs/dbraw/zinc/75/38/41/809753841.db2.gz NKGQYOXUWQRIEX-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001265303703 809753844 /nfs/dbraw/zinc/75/38/44/809753844.db2.gz NKGQYOXUWQRIEX-LBPRGKRZSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001265422728 809776258 /nfs/dbraw/zinc/77/62/58/809776258.db2.gz YCKXMGLFFOJZHP-NSHDSACASA-N 1 2 294.355 0.525 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001266211593 809963644 /nfs/dbraw/zinc/96/36/44/809963644.db2.gz GAVBJEDMJDODSR-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001266211593 809963650 /nfs/dbraw/zinc/96/36/50/809963650.db2.gz GAVBJEDMJDODSR-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNCC#N ZINC001279183947 809972569 /nfs/dbraw/zinc/97/25/69/809972569.db2.gz TUJASJYDGVGOHZ-NWDGAFQWSA-N 1 2 275.356 0.170 20 30 CCEDLO C/C=C(/C)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001279527414 809985645 /nfs/dbraw/zinc/98/56/45/809985645.db2.gz COKKTWBHTNEWHR-BASWHVEKSA-N 1 2 290.367 0.341 20 30 CCEDLO C/C=C(/C)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001279527414 809985650 /nfs/dbraw/zinc/98/56/50/809985650.db2.gz COKKTWBHTNEWHR-BASWHVEKSA-N 1 2 290.367 0.341 20 30 CCEDLO C#CCCCC(=O)N(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC001267367382 811224426 /nfs/dbraw/zinc/22/44/26/811224426.db2.gz UOOZYIDVQPXAEF-UHFFFAOYSA-N 1 2 293.371 0.487 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001127039855 815590471 /nfs/dbraw/zinc/59/04/71/815590471.db2.gz RUYLVTPWRKDWJS-GFCCVEGCSA-N 1 2 276.340 0.029 20 30 CCEDLO Cc1ccnc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125776100 811318696 /nfs/dbraw/zinc/31/86/96/811318696.db2.gz GVUUIHPIAKVITC-UHFFFAOYSA-N 1 2 284.323 0.504 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001077046505 815438563 /nfs/dbraw/zinc/43/85/63/815438563.db2.gz VARQWMANNLAJQE-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001077046505 815438568 /nfs/dbraw/zinc/43/85/68/815438568.db2.gz VARQWMANNLAJQE-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776718 811322987 /nfs/dbraw/zinc/32/29/87/811322987.db2.gz WHQXIUBBKQAPPB-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267461356 811327491 /nfs/dbraw/zinc/32/74/91/811327491.db2.gz NFCQNVWIGOGGFA-UHFFFAOYSA-N 1 2 298.346 0.842 20 30 CCEDLO C[N@H+](CCCS(C)(=O)=O)C[C@H](O)c1cccc(C#N)c1 ZINC000694209408 811390690 /nfs/dbraw/zinc/39/06/90/811390690.db2.gz GBWNJNNGIMXYRZ-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO C[N@@H+](CCCS(C)(=O)=O)C[C@H](O)c1cccc(C#N)c1 ZINC000694209408 811390697 /nfs/dbraw/zinc/39/06/97/811390697.db2.gz GBWNJNNGIMXYRZ-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125814287 811444583 /nfs/dbraw/zinc/44/45/83/811444583.db2.gz SEEKIDKEYDXXBT-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[C@@H]1CCCO1 ZINC001267574222 811467435 /nfs/dbraw/zinc/46/74/35/811467435.db2.gz YQFVSFDVIQAVDR-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038322148 811484005 /nfs/dbraw/zinc/48/40/05/811484005.db2.gz JYCUDVXMKZBRTD-CYBMUJFWSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038322148 811484009 /nfs/dbraw/zinc/48/40/09/811484009.db2.gz JYCUDVXMKZBRTD-CYBMUJFWSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)C2(COC)CC2)CC1 ZINC001267608857 811558254 /nfs/dbraw/zinc/55/82/54/811558254.db2.gz FKXAMUPLYGEQSE-UHFFFAOYSA-N 1 2 293.411 0.122 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCn2nc(C)cc2C)C1 ZINC001267656200 811623061 /nfs/dbraw/zinc/62/30/61/811623061.db2.gz YJJOJIZSGWIXQB-UHFFFAOYSA-N 1 2 262.357 0.876 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218980420 811625236 /nfs/dbraw/zinc/62/52/36/811625236.db2.gz DYJMYESPUCYGEA-LBPRGKRZSA-N 1 2 260.297 0.527 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038340469 811651514 /nfs/dbraw/zinc/65/15/14/811651514.db2.gz HELHXXATFUUPBC-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038340469 811651521 /nfs/dbraw/zinc/65/15/21/811651521.db2.gz HELHXXATFUUPBC-LBPRGKRZSA-N 1 2 273.336 0.836 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001267704857 811668424 /nfs/dbraw/zinc/66/84/24/811668424.db2.gz YVNGISFLEHJZOY-WOPDTQHZSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001267704857 811668426 /nfs/dbraw/zinc/66/84/26/811668426.db2.gz YVNGISFLEHJZOY-WOPDTQHZSA-N 1 2 265.357 0.372 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001267722627 811686615 /nfs/dbraw/zinc/68/66/15/811686615.db2.gz KOVQWPCBBZMZRQ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267722627 811686622 /nfs/dbraw/zinc/68/66/22/811686622.db2.gz KOVQWPCBBZMZRQ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105297371 811896885 /nfs/dbraw/zinc/89/68/85/811896885.db2.gz MPNLBOLGAAWNLI-UHFFFAOYSA-N 1 2 295.362 0.933 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105318775 811909025 /nfs/dbraw/zinc/90/90/25/811909025.db2.gz OIYNAZLFQBTRKN-RYUDHWBXSA-N 1 2 287.367 0.430 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2ncccn2)c[nH]1 ZINC001125987816 811969064 /nfs/dbraw/zinc/96/90/64/811969064.db2.gz DUDPZVIGOKWRCL-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077404050 815494320 /nfs/dbraw/zinc/49/43/20/815494320.db2.gz MTCHHPRYFWBQQR-VXGBXAGGSA-N 1 2 287.319 0.789 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001077404050 815494324 /nfs/dbraw/zinc/49/43/24/815494324.db2.gz MTCHHPRYFWBQQR-VXGBXAGGSA-N 1 2 287.319 0.789 20 30 CCEDLO C[C@H](CC(=O)NC[C@@H]1CN(CC#N)CCO1)n1cc[nH+]c1 ZINC001268027371 812007059 /nfs/dbraw/zinc/00/70/59/812007059.db2.gz VFXLXUIVZGCCFO-CHWSQXEVSA-N 1 2 291.355 0.175 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC001088838257 815504169 /nfs/dbraw/zinc/50/41/69/815504169.db2.gz ZEENZRLOZNAOJR-MNOVXSKESA-N 1 2 276.340 0.342 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC001088838257 815504172 /nfs/dbraw/zinc/50/41/72/815504172.db2.gz ZEENZRLOZNAOJR-MNOVXSKESA-N 1 2 276.340 0.342 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027973227 812182329 /nfs/dbraw/zinc/18/23/29/812182329.db2.gz MOKVKRUVXDYINK-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@@H](O)C1 ZINC001083320930 812309047 /nfs/dbraw/zinc/30/90/47/812309047.db2.gz KRTRGQLLDJOERJ-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@@H](O)C1 ZINC001083320930 812309056 /nfs/dbraw/zinc/30/90/56/812309056.db2.gz KRTRGQLLDJOERJ-KGLIPLIRSA-N 1 2 258.321 0.403 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268306571 812470089 /nfs/dbraw/zinc/47/00/89/812470089.db2.gz NVDULALXSOZPTK-NSHDSACASA-N 1 2 296.371 0.547 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606024 815533336 /nfs/dbraw/zinc/53/33/36/815533336.db2.gz CETQXJALTYYTFR-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606024 815533342 /nfs/dbraw/zinc/53/33/42/815533342.db2.gz CETQXJALTYYTFR-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001028259315 812523530 /nfs/dbraw/zinc/52/35/30/812523530.db2.gz CBCUNFYBCVBZMY-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001028259315 812523536 /nfs/dbraw/zinc/52/35/36/812523536.db2.gz CBCUNFYBCVBZMY-VXGBXAGGSA-N 1 2 289.383 0.676 20 30 CCEDLO CCN(CCNCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268475990 812632886 /nfs/dbraw/zinc/63/28/86/812632886.db2.gz BLLKOYCLABCTDM-VXGBXAGGSA-N 1 2 275.356 0.485 20 30 CCEDLO C#CCCCC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001268534084 812779153 /nfs/dbraw/zinc/77/91/53/812779153.db2.gz RRHPIMSDRGEOHN-VOTSOKGWSA-N 1 2 275.356 0.381 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC/C=C/CNCC#N ZINC001268571105 812845381 /nfs/dbraw/zinc/84/53/81/812845381.db2.gz UHACGXMDMGDFKR-NSCUHMNNSA-N 1 2 261.329 0.138 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CCC2)[C@@H](O)C1 ZINC001083620975 815558307 /nfs/dbraw/zinc/55/83/07/815558307.db2.gz PDMKNNZMIIDMRX-CVEARBPZSA-N 1 2 298.386 0.903 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CCC2)[C@@H](O)C1 ZINC001083620975 815558310 /nfs/dbraw/zinc/55/83/10/815558310.db2.gz PDMKNNZMIIDMRX-CVEARBPZSA-N 1 2 298.386 0.903 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001268878637 813130074 /nfs/dbraw/zinc/13/00/74/813130074.db2.gz AUYSBTOJCKTEOT-JTQLQIEISA-N 1 2 265.357 0.265 20 30 CCEDLO C#CC(=O)N1CCCC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001268945024 813153901 /nfs/dbraw/zinc/15/39/01/813153901.db2.gz WIWKQYMDLJGYLO-UHFFFAOYSA-N 1 2 286.379 0.786 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001269009459 813175807 /nfs/dbraw/zinc/17/58/07/813175807.db2.gz HMKUSAYMVZJMOF-NSHDSACASA-N 1 2 296.396 0.740 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001269009459 813175812 /nfs/dbraw/zinc/17/58/12/813175812.db2.gz HMKUSAYMVZJMOF-NSHDSACASA-N 1 2 296.396 0.740 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382408 815598116 /nfs/dbraw/zinc/59/81/16/815598116.db2.gz MDHNLOCMOSVHBN-ZDUSSCGKSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382408 815598119 /nfs/dbraw/zinc/59/81/19/815598119.db2.gz MDHNLOCMOSVHBN-ZDUSSCGKSA-N 1 2 272.352 0.657 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001269239386 813286338 /nfs/dbraw/zinc/28/63/38/813286338.db2.gz ADSQHORPBHFNIU-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001269239386 813286340 /nfs/dbraw/zinc/28/63/40/813286340.db2.gz ADSQHORPBHFNIU-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(NCC#N)CC1 ZINC001269506604 813396792 /nfs/dbraw/zinc/39/67/92/813396792.db2.gz YNRIGVYHAAFWHH-JTQLQIEISA-N 1 2 261.329 0.350 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(NCC#N)CC1 ZINC001269506604 813396800 /nfs/dbraw/zinc/39/68/00/813396800.db2.gz YNRIGVYHAAFWHH-JTQLQIEISA-N 1 2 261.329 0.350 20 30 CCEDLO C=CCCN1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001269886502 813545555 /nfs/dbraw/zinc/54/55/55/813545555.db2.gz HUNWIPDMXRBRLP-AWEZNQCLSA-N 1 2 295.427 0.673 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNCC#N ZINC001270165953 813658963 /nfs/dbraw/zinc/65/89/63/813658963.db2.gz RIYIZWQOFZIDMT-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001270435965 813761976 /nfs/dbraw/zinc/76/19/76/813761976.db2.gz IVAAMHVCQFWESP-VXGBXAGGSA-N 1 2 275.356 0.311 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc[nH]2)C1 ZINC001270701683 813898836 /nfs/dbraw/zinc/89/88/36/813898836.db2.gz XEYIGSOECGVJFC-ZDUSSCGKSA-N 1 2 263.341 0.560 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc[nH]2)C1 ZINC001270701683 813898845 /nfs/dbraw/zinc/89/88/45/813898845.db2.gz XEYIGSOECGVJFC-ZDUSSCGKSA-N 1 2 263.341 0.560 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988637 814306265 /nfs/dbraw/zinc/30/62/65/814306265.db2.gz RMWCJSBDINXYMN-OLZOCXBDSA-N 1 2 287.367 0.646 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988637 814306273 /nfs/dbraw/zinc/30/62/73/814306273.db2.gz RMWCJSBDINXYMN-OLZOCXBDSA-N 1 2 287.367 0.646 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888647 814320552 /nfs/dbraw/zinc/32/05/52/814320552.db2.gz HMQSXGJYUGLNDE-CHWSQXEVSA-N 1 2 284.425 0.967 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888647 814320559 /nfs/dbraw/zinc/32/05/59/814320559.db2.gz HMQSXGJYUGLNDE-CHWSQXEVSA-N 1 2 284.425 0.967 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(C(F)F)CCC2)C1 ZINC001271343445 814386108 /nfs/dbraw/zinc/38/61/08/814386108.db2.gz NUZLUDZLYXPMCO-UHFFFAOYSA-N 1 2 286.322 0.608 20 30 CCEDLO CC[C@@H](C[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1)OC ZINC001280406349 814477308 /nfs/dbraw/zinc/47/73/08/814477308.db2.gz NMYHSMARDXYACW-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@@H](C[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1)OC ZINC001280406349 814477312 /nfs/dbraw/zinc/47/73/12/814477312.db2.gz NMYHSMARDXYACW-CABCVRRESA-N 1 2 294.395 0.642 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029678832 814535565 /nfs/dbraw/zinc/53/55/65/814535565.db2.gz TWZGJMMMHXHMSL-VXGBXAGGSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029678832 814535567 /nfs/dbraw/zinc/53/55/67/814535567.db2.gz TWZGJMMMHXHMSL-VXGBXAGGSA-N 1 2 290.371 0.255 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@@H](O)C1 ZINC001083641340 815587424 /nfs/dbraw/zinc/58/74/24/815587424.db2.gz JDLPIPRAJKRLPZ-IKGGRYGDSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@@H](O)C1 ZINC001083641340 815587425 /nfs/dbraw/zinc/58/74/25/815587425.db2.gz JDLPIPRAJKRLPZ-IKGGRYGDSA-N 1 2 298.386 0.975 20 30 CCEDLO C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)O1 ZINC001030234819 815915862 /nfs/dbraw/zinc/91/58/62/815915862.db2.gz HXURYUMHBIKZOG-YGRLFVJLSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccn(CC)n2)C1 ZINC001030340802 815984205 /nfs/dbraw/zinc/98/42/05/815984205.db2.gz FEWCWEFPDQWLJJ-UHFFFAOYSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001030429743 816036690 /nfs/dbraw/zinc/03/66/90/816036690.db2.gz VAGBVRDLXKPBFT-UHFFFAOYSA-N 1 2 273.336 0.525 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001030440252 816039731 /nfs/dbraw/zinc/03/97/31/816039731.db2.gz NTSZFPIALDHCBK-UHFFFAOYSA-N 1 2 299.330 0.569 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001030456845 816047144 /nfs/dbraw/zinc/04/71/44/816047144.db2.gz NSTMLYWXMRKDQI-OAHLLOKOSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001030499626 816069892 /nfs/dbraw/zinc/06/98/92/816069892.db2.gz UFKQUXNTKJUFPN-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO CC#CCN1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001030671484 816200977 /nfs/dbraw/zinc/20/09/77/816200977.db2.gz VXWNCAUFPLVREI-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001030702020 816237050 /nfs/dbraw/zinc/23/70/50/816237050.db2.gz LVWPWNHTDCDFOM-BJJPWKGXSA-N 1 2 262.353 0.786 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](O)C1 ZINC001083679785 816256523 /nfs/dbraw/zinc/25/65/23/816256523.db2.gz VITREZRXUAUXSF-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](O)C1 ZINC001083679785 816256531 /nfs/dbraw/zinc/25/65/31/816256531.db2.gz VITREZRXUAUXSF-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO COc1ccnc(C(=N)Nc2cc[nH+]c(CC#N)c2)n1 ZINC001168427305 816262738 /nfs/dbraw/zinc/26/27/38/816262738.db2.gz CNSJFPLANRXNLU-UHFFFAOYSA-N 1 2 268.280 0.806 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2C(N)=O)C1 ZINC001030777712 816284891 /nfs/dbraw/zinc/28/48/91/816284891.db2.gz JJBQDDKMEYZWCY-UHFFFAOYSA-N 1 2 287.363 0.705 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC3(F)F)CC2)C1 ZINC001046026370 816293874 /nfs/dbraw/zinc/29/38/74/816293874.db2.gz UVDUVSQDUMALRD-NEPJUHHUSA-N 1 2 298.337 0.384 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C)O2)C1 ZINC001030899120 816407303 /nfs/dbraw/zinc/40/73/03/816407303.db2.gz ZRBSBHHYHDZJPS-DGCLKSJQSA-N 1 2 250.342 0.768 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992335679 816412157 /nfs/dbraw/zinc/41/21/57/816412157.db2.gz WXLRPCYCPGTMLO-RISCZKNCSA-N 1 2 273.340 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992335679 816412158 /nfs/dbraw/zinc/41/21/58/816412158.db2.gz WXLRPCYCPGTMLO-RISCZKNCSA-N 1 2 273.340 0.555 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CC)n2CC=C)CC1 ZINC001121572814 816439828 /nfs/dbraw/zinc/43/98/28/816439828.db2.gz RIPQYYNNNKVKAM-ZDUSSCGKSA-N 1 2 289.383 0.663 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001030935773 816462508 /nfs/dbraw/zinc/46/25/08/816462508.db2.gz LRDITQFJIPWKGB-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001272528568 816555375 /nfs/dbraw/zinc/55/53/75/816555375.db2.gz AWQPIHWFBJBRDP-NSHDSACASA-N 1 2 298.412 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001083712960 816606264 /nfs/dbraw/zinc/60/62/64/816606264.db2.gz YOEHRZDJQUCSQZ-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001083712960 816606269 /nfs/dbraw/zinc/60/62/69/816606269.db2.gz YOEHRZDJQUCSQZ-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)cc1 ZINC001046530354 816617612 /nfs/dbraw/zinc/61/76/12/816617612.db2.gz GXZBFWYCUHRDIX-INIZCTEOSA-N 1 2 285.347 0.347 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)cc1 ZINC001046530354 816617617 /nfs/dbraw/zinc/61/76/17/816617617.db2.gz GXZBFWYCUHRDIX-INIZCTEOSA-N 1 2 285.347 0.347 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001031129356 816677157 /nfs/dbraw/zinc/67/71/57/816677157.db2.gz OOQJNUQZTYJXSZ-AWEZNQCLSA-N 1 2 285.347 0.848 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001031154588 816712501 /nfs/dbraw/zinc/71/25/01/816712501.db2.gz RJVZIXQJXCOPOM-NWDGAFQWSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001106363150 816748585 /nfs/dbraw/zinc/74/85/85/816748585.db2.gz ZLGCIMJHNFHPPN-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNCC#N ZINC001106498678 816792969 /nfs/dbraw/zinc/79/29/69/816792969.db2.gz KFEPSLGHWRVFBI-CHWSQXEVSA-N 1 2 275.356 0.481 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001031246689 816882983 /nfs/dbraw/zinc/88/29/83/816882983.db2.gz NPYVACQDDFFOFG-UHFFFAOYSA-N 1 2 272.352 0.346 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001031251331 816892682 /nfs/dbraw/zinc/89/26/82/816892682.db2.gz YJYQSMQROAWTKC-SNVBAGLBSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CCN1CC2(CN(Cc3[nH]c[nH+]c3C)C2)OCC1=O ZINC001272660705 816975524 /nfs/dbraw/zinc/97/55/24/816975524.db2.gz FOMAAZDTIYTLPN-UHFFFAOYSA-N 1 2 276.340 0.317 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001038578386 816985519 /nfs/dbraw/zinc/98/55/19/816985519.db2.gz LCDRDHZOCURYGU-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001038578386 816985525 /nfs/dbraw/zinc/98/55/25/816985525.db2.gz LCDRDHZOCURYGU-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001123637607 816996826 /nfs/dbraw/zinc/99/68/26/816996826.db2.gz IGRDHIHFXNJFTP-CYBMUJFWSA-N 1 2 266.389 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN2CCc3ccccc32)C1 ZINC001031407494 817037979 /nfs/dbraw/zinc/03/79/79/817037979.db2.gz YVTDVFGJPXUPDV-UHFFFAOYSA-N 1 2 283.375 0.873 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001031478553 817072436 /nfs/dbraw/zinc/07/24/36/817072436.db2.gz QJEPLGMUCCXTHB-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031526284 817109122 /nfs/dbraw/zinc/10/91/22/817109122.db2.gz PRNQAEOAKXBAON-NSHDSACASA-N 1 2 258.749 0.966 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2C[NH+](CCF)C2)[nH]1 ZINC001031619590 817190723 /nfs/dbraw/zinc/19/07/23/817190723.db2.gz ABLWHSXRFDTYBL-UHFFFAOYSA-N 1 2 250.277 0.517 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001038070945 817307880 /nfs/dbraw/zinc/30/78/80/817307880.db2.gz UBWGXBYYYGYJIB-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001038070945 817307882 /nfs/dbraw/zinc/30/78/82/817307882.db2.gz UBWGXBYYYGYJIB-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212287125 817338502 /nfs/dbraw/zinc/33/85/02/817338502.db2.gz LXWIYMCVOOJUGE-MGPQQGTHSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212287125 817338510 /nfs/dbraw/zinc/33/85/10/817338510.db2.gz LXWIYMCVOOJUGE-MGPQQGTHSA-N 1 2 280.368 0.250 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001124489361 817486511 /nfs/dbraw/zinc/48/65/11/817486511.db2.gz YRZZCACWIZBSAF-JTQLQIEISA-N 1 2 268.317 0.257 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccncc1C)C2 ZINC001272717155 817568259 /nfs/dbraw/zinc/56/82/59/817568259.db2.gz PYMLVVZDZQKEEH-UHFFFAOYSA-N 1 2 285.347 0.436 20 30 CCEDLO CCCc1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124889117 817617563 /nfs/dbraw/zinc/61/75/63/817617563.db2.gz PMTMSLUMPDKCHE-SECBINFHSA-N 1 2 265.317 0.388 20 30 CCEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)[C@H](C)C#N)cs1 ZINC001124909157 817633923 /nfs/dbraw/zinc/63/39/23/817633923.db2.gz YWHHMQMKHXVSLE-MRVPVSSYSA-N 1 2 295.368 0.467 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032171223 817675692 /nfs/dbraw/zinc/67/56/92/817675692.db2.gz HCSIQUQKBZRIKE-UHFFFAOYSA-N 1 2 296.758 0.194 20 30 CCEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CC)nn2)C1 ZINC001107113762 817757979 /nfs/dbraw/zinc/75/79/79/817757979.db2.gz SGVAODSCILMQJR-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)SC)nn2)C1 ZINC001107134553 817787547 /nfs/dbraw/zinc/78/75/47/817787547.db2.gz ASMDKPSSHVUEAA-JTQLQIEISA-N 1 2 295.412 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn[nH]1 ZINC001032329029 817881998 /nfs/dbraw/zinc/88/19/98/817881998.db2.gz BYLJASGNCVTWBV-STQMWFEESA-N 1 2 258.325 0.261 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn[nH]1 ZINC001032329029 817882002 /nfs/dbraw/zinc/88/20/02/817882002.db2.gz BYLJASGNCVTWBV-STQMWFEESA-N 1 2 258.325 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001077621750 817882372 /nfs/dbraw/zinc/88/23/72/817882372.db2.gz ZCLWVPQNGDMEBF-VXGBXAGGSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001077621750 817882379 /nfs/dbraw/zinc/88/23/79/817882379.db2.gz ZCLWVPQNGDMEBF-VXGBXAGGSA-N 1 2 294.301 0.681 20 30 CCEDLO Cc1nc(N(C)C)nc(NC[C@@H](C)NC(=O)[C@@H](C)C#N)[nH+]1 ZINC001107653008 817918027 /nfs/dbraw/zinc/91/80/27/817918027.db2.gz ODIAWAJRIRJZQT-DTWKUNHWSA-N 1 2 291.359 0.322 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(F)c1 ZINC001032348377 817954119 /nfs/dbraw/zinc/95/41/19/817954119.db2.gz GIXINHRRSWAKAO-STQMWFEESA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(F)c1 ZINC001032348377 817954120 /nfs/dbraw/zinc/95/41/20/817954120.db2.gz GIXINHRRSWAKAO-STQMWFEESA-N 1 2 259.284 0.753 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107737656 817976334 /nfs/dbraw/zinc/97/63/34/817976334.db2.gz GLGPXDSCQMHIDU-AWEZNQCLSA-N 1 2 278.356 0.276 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107737656 817976339 /nfs/dbraw/zinc/97/63/39/817976339.db2.gz GLGPXDSCQMHIDU-AWEZNQCLSA-N 1 2 278.356 0.276 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001107758443 817987036 /nfs/dbraw/zinc/98/70/36/817987036.db2.gz CCYRBYWMZXGXDT-DZGCQCFKSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001107758443 817987039 /nfs/dbraw/zinc/98/70/39/817987039.db2.gz CCYRBYWMZXGXDT-DZGCQCFKSA-N 1 2 292.383 0.837 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCCC)C1 ZINC001107791415 818010019 /nfs/dbraw/zinc/01/00/19/818010019.db2.gz BJEVFAGPJAGYEP-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)COCCC)C1 ZINC001107791415 818010023 /nfs/dbraw/zinc/01/00/23/818010023.db2.gz BJEVFAGPJAGYEP-HNNXBMFYSA-N 1 2 282.384 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107791976 818010216 /nfs/dbraw/zinc/01/02/16/818010216.db2.gz FEDBIYJXYGCDRE-GXTWGEPZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107791976 818010224 /nfs/dbraw/zinc/01/02/24/818010224.db2.gz FEDBIYJXYGCDRE-GXTWGEPZSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@@H](O)C1 ZINC001083808744 818066382 /nfs/dbraw/zinc/06/63/82/818066382.db2.gz RUSHUJFLNSODSL-TUVASFSCSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@@H](O)C1 ZINC001083808744 818066387 /nfs/dbraw/zinc/06/63/87/818066387.db2.gz RUSHUJFLNSODSL-TUVASFSCSA-N 1 2 290.407 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089990733 818214254 /nfs/dbraw/zinc/21/42/54/818214254.db2.gz SIABYMSYMWDPJT-GHMZBOCLSA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089990733 818214260 /nfs/dbraw/zinc/21/42/60/818214260.db2.gz SIABYMSYMWDPJT-GHMZBOCLSA-N 1 2 258.749 0.700 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001033219445 818658488 /nfs/dbraw/zinc/65/84/88/818658488.db2.gz BHDHDZOKHSVACF-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001033219445 818658492 /nfs/dbraw/zinc/65/84/92/818658492.db2.gz BHDHDZOKHSVACF-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358013 818737299 /nfs/dbraw/zinc/73/72/99/818737299.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358013 818737304 /nfs/dbraw/zinc/73/73/04/818737304.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 1 2 293.411 0.262 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128677517 818803554 /nfs/dbraw/zinc/80/35/54/818803554.db2.gz MAXHQVBUSZRTHK-NEPJUHHUSA-N 1 2 293.396 0.006 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128677517 818803557 /nfs/dbraw/zinc/80/35/57/818803557.db2.gz MAXHQVBUSZRTHK-NEPJUHHUSA-N 1 2 293.396 0.006 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128705445 818861586 /nfs/dbraw/zinc/86/15/86/818861586.db2.gz KSLHYAKAIMBSIW-XQQFMLRXSA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128705445 818861589 /nfs/dbraw/zinc/86/15/89/818861589.db2.gz KSLHYAKAIMBSIW-XQQFMLRXSA-N 1 2 275.356 0.299 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCN(CC#N)C1 ZINC001033861501 818970292 /nfs/dbraw/zinc/97/02/92/818970292.db2.gz KENMOFHFGBXYSF-JHJVBQTASA-N 1 2 287.367 0.960 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033861501 818970296 /nfs/dbraw/zinc/97/02/96/818970296.db2.gz KENMOFHFGBXYSF-JHJVBQTASA-N 1 2 287.367 0.960 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189627 819069517 /nfs/dbraw/zinc/06/95/17/819069517.db2.gz PFQGHSVEZRZVOF-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189627 819069524 /nfs/dbraw/zinc/06/95/24/819069524.db2.gz PFQGHSVEZRZVOF-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297061 819441967 /nfs/dbraw/zinc/44/19/67/819441967.db2.gz UNWUHICTVMBDTP-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297061 819441969 /nfs/dbraw/zinc/44/19/69/819441969.db2.gz UNWUHICTVMBDTP-CYBMUJFWSA-N 1 2 292.383 0.979 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035276210 819443577 /nfs/dbraw/zinc/44/35/77/819443577.db2.gz WWLOSUDKCRDOQQ-AWEZNQCLSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035276210 819443585 /nfs/dbraw/zinc/44/35/85/819443585.db2.gz WWLOSUDKCRDOQQ-AWEZNQCLSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncs2)C1 ZINC001035301903 819455616 /nfs/dbraw/zinc/45/56/16/819455616.db2.gz VHERZUHOIRJLGD-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncs2)C1 ZINC001035301903 819455622 /nfs/dbraw/zinc/45/56/22/819455622.db2.gz VHERZUHOIRJLGD-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035317694 819467601 /nfs/dbraw/zinc/46/76/01/819467601.db2.gz VYZQNTJHRBEVBU-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035317694 819467603 /nfs/dbraw/zinc/46/76/03/819467603.db2.gz VYZQNTJHRBEVBU-CQSZACIVSA-N 1 2 290.367 0.357 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035446550 819528194 /nfs/dbraw/zinc/52/81/94/819528194.db2.gz LYHQLEZAHGOCJZ-DEPYFDJDSA-N 1 2 292.379 0.413 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035446550 819528199 /nfs/dbraw/zinc/52/81/99/819528199.db2.gz LYHQLEZAHGOCJZ-DEPYFDJDSA-N 1 2 292.379 0.413 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnco2)C1 ZINC001035462707 819537145 /nfs/dbraw/zinc/53/71/45/819537145.db2.gz HUCNTDMUITZCGD-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnco2)C1 ZINC001035462707 819537150 /nfs/dbraw/zinc/53/71/50/819537150.db2.gz HUCNTDMUITZCGD-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035511179 819543679 /nfs/dbraw/zinc/54/36/79/819543679.db2.gz CLQKTRPAVURTGQ-HZSPNIEDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001035511179 819543684 /nfs/dbraw/zinc/54/36/84/819543684.db2.gz CLQKTRPAVURTGQ-HZSPNIEDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nocc2C)C1 ZINC001035573894 819561707 /nfs/dbraw/zinc/56/17/07/819561707.db2.gz PBVACXJOUAYQNY-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nocc2C)C1 ZINC001035573894 819561715 /nfs/dbraw/zinc/56/17/15/819561715.db2.gz PBVACXJOUAYQNY-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC=C)CCO2)cn1 ZINC001035587145 819577400 /nfs/dbraw/zinc/57/74/00/819577400.db2.gz WVQXVXMMQUCHOT-HNNXBMFYSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC=C)CCO2)cn1 ZINC001035587145 819577405 /nfs/dbraw/zinc/57/74/05/819577405.db2.gz WVQXVXMMQUCHOT-HNNXBMFYSA-N 1 2 285.347 0.680 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2CC)C1 ZINC001035607303 819587359 /nfs/dbraw/zinc/58/73/59/819587359.db2.gz URKIAZOZJKVTLI-LBPRGKRZSA-N 1 2 290.367 0.656 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2CC)C1 ZINC001035607303 819587364 /nfs/dbraw/zinc/58/73/64/819587364.db2.gz URKIAZOZJKVTLI-LBPRGKRZSA-N 1 2 290.367 0.656 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001036253506 819716422 /nfs/dbraw/zinc/71/64/22/819716422.db2.gz KYIVVZSIOKKIGQ-DGCLKSJQSA-N 1 2 275.356 0.313 20 30 CCEDLO N#Cc1cc2cccnc2nc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168761011 819790551 /nfs/dbraw/zinc/79/05/51/819790551.db2.gz WGFCVFZROXKLPO-UHFFFAOYSA-N 1 2 267.252 0.246 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000710051049 819819254 /nfs/dbraw/zinc/81/92/54/819819254.db2.gz RVWALKXYKMWXTD-TXEJJXNPSA-N 1 2 258.387 0.754 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000710051049 819819261 /nfs/dbraw/zinc/81/92/61/819819261.db2.gz RVWALKXYKMWXTD-TXEJJXNPSA-N 1 2 258.387 0.754 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108187009 820103035 /nfs/dbraw/zinc/10/30/35/820103035.db2.gz ZOJMAODLQZOERQ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108187009 820103042 /nfs/dbraw/zinc/10/30/42/820103042.db2.gz ZOJMAODLQZOERQ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000712271838 820295476 /nfs/dbraw/zinc/29/54/76/820295476.db2.gz NCWPSUPJGJZHIK-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000712271838 820295478 /nfs/dbraw/zinc/29/54/78/820295478.db2.gz NCWPSUPJGJZHIK-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705392 820475837 /nfs/dbraw/zinc/47/58/37/820475837.db2.gz ZIWLSRDNHBRECY-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCOC)[C@@H](O)C1 ZINC001099705392 820475844 /nfs/dbraw/zinc/47/58/44/820475844.db2.gz ZIWLSRDNHBRECY-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001081374954 820748997 /nfs/dbraw/zinc/74/89/97/820748997.db2.gz FINMKJDSYFFUOT-HUUCEWRRSA-N 1 2 287.363 0.842 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001081374954 820749003 /nfs/dbraw/zinc/74/90/03/820749003.db2.gz FINMKJDSYFFUOT-HUUCEWRRSA-N 1 2 287.363 0.842 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@H](OC)C1 ZINC001082053065 820885518 /nfs/dbraw/zinc/88/55/18/820885518.db2.gz WKQAEILJDRTTMV-IACUBPJLSA-N 1 2 288.351 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@H](OC)C1 ZINC001082053065 820885521 /nfs/dbraw/zinc/88/55/21/820885521.db2.gz WKQAEILJDRTTMV-IACUBPJLSA-N 1 2 288.351 0.029 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@H](OC)C1 ZINC001082335440 820936611 /nfs/dbraw/zinc/93/66/11/820936611.db2.gz NRWYEYZOXINHDZ-VXGBXAGGSA-N 1 2 293.754 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)[C@H](OC)C1 ZINC001082335440 820936620 /nfs/dbraw/zinc/93/66/20/820936620.db2.gz NRWYEYZOXINHDZ-VXGBXAGGSA-N 1 2 293.754 0.797 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001082450611 820971791 /nfs/dbraw/zinc/97/17/91/820971791.db2.gz BPDNPDYMNBTFFG-IQJOONFLSA-N 1 2 279.369 0.634 20 30 CCEDLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC001082970802 821077927 /nfs/dbraw/zinc/07/79/27/821077927.db2.gz FLUKCNVGYHJQNP-JKSUJKDBSA-N 1 2 285.347 0.990 20 30 CCEDLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC001082970802 821077936 /nfs/dbraw/zinc/07/79/36/821077936.db2.gz FLUKCNVGYHJQNP-JKSUJKDBSA-N 1 2 285.347 0.990 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC001082979040 821084807 /nfs/dbraw/zinc/08/48/07/821084807.db2.gz KADMZVWYZWYJSL-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC001082979040 821084813 /nfs/dbraw/zinc/08/48/13/821084813.db2.gz KADMZVWYZWYJSL-LSDHHAIUSA-N 1 2 285.347 0.630 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC3CC3)[C@H]2C1 ZINC001083028539 821116637 /nfs/dbraw/zinc/11/66/37/821116637.db2.gz UUZCHVMRQGFLIX-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC3CC3)[C@H]2C1 ZINC001083028539 821116642 /nfs/dbraw/zinc/11/66/42/821116642.db2.gz UUZCHVMRQGFLIX-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncccc3C)[C@H]2C1 ZINC001083041719 821124058 /nfs/dbraw/zinc/12/40/58/821124058.db2.gz YNEJSQKEEJIUSY-UONOGXRCSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncccc3C)[C@H]2C1 ZINC001083041719 821124066 /nfs/dbraw/zinc/12/40/66/821124066.db2.gz YNEJSQKEEJIUSY-UONOGXRCSA-N 1 2 285.347 0.548 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001119335884 821147960 /nfs/dbraw/zinc/14/79/60/821147960.db2.gz UWNCSQAOBNJLSI-GFCCVEGCSA-N 1 2 296.396 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@@H](O)C1 ZINC001084095774 821197196 /nfs/dbraw/zinc/19/71/96/821197196.db2.gz OSYGQSAJLDSDRY-ODGNXRKOSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@@H](O)C1 ZINC001084095774 821197201 /nfs/dbraw/zinc/19/72/01/821197201.db2.gz OSYGQSAJLDSDRY-ODGNXRKOSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 ZINC001084212673 821223151 /nfs/dbraw/zinc/22/31/51/821223151.db2.gz VFBIPNNHGXTFFN-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 ZINC001084212673 821223159 /nfs/dbraw/zinc/22/31/59/821223159.db2.gz VFBIPNNHGXTFFN-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084243621 821239886 /nfs/dbraw/zinc/23/98/86/821239886.db2.gz OIOVKHKENVLWNQ-NXEZZACHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084243621 821239894 /nfs/dbraw/zinc/23/98/94/821239894.db2.gz OIOVKHKENVLWNQ-NXEZZACHSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001084634409 821332199 /nfs/dbraw/zinc/33/21/99/821332199.db2.gz PLAPAHDNQFVFRR-ZIAGYGMSSA-N 1 2 291.395 0.751 20 30 CCEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001084634409 821332211 /nfs/dbraw/zinc/33/22/11/821332211.db2.gz PLAPAHDNQFVFRR-ZIAGYGMSSA-N 1 2 291.395 0.751 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084673410 821347020 /nfs/dbraw/zinc/34/70/20/821347020.db2.gz WHGWDIVKVJLTGH-RGCMKSIDSA-N 1 2 299.378 0.580 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085804327 821959534 /nfs/dbraw/zinc/95/95/34/821959534.db2.gz GWEHQDDVLIRIKI-SNVBAGLBSA-N 1 2 264.304 0.718 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085804327 821959538 /nfs/dbraw/zinc/95/95/38/821959538.db2.gz GWEHQDDVLIRIKI-SNVBAGLBSA-N 1 2 264.304 0.718 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC=C)nn1 ZINC001085861546 821985367 /nfs/dbraw/zinc/98/53/67/821985367.db2.gz AMQGZFDSQBLOAI-GFCCVEGCSA-N 1 2 273.340 0.244 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC=C)nn1 ZINC001085861546 821985369 /nfs/dbraw/zinc/98/53/69/821985369.db2.gz AMQGZFDSQBLOAI-GFCCVEGCSA-N 1 2 273.340 0.244 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897010 822007053 /nfs/dbraw/zinc/00/70/53/822007053.db2.gz TXJKGZSWQCZDCJ-CYBMUJFWSA-N 1 2 289.383 0.947 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897010 822007062 /nfs/dbraw/zinc/00/70/62/822007062.db2.gz TXJKGZSWQCZDCJ-CYBMUJFWSA-N 1 2 289.383 0.947 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCOC)c1 ZINC001085950188 822032011 /nfs/dbraw/zinc/03/20/11/822032011.db2.gz ZBTJPGHTUAWSOD-AWEZNQCLSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCOC)c1 ZINC001085950188 822032015 /nfs/dbraw/zinc/03/20/15/822032015.db2.gz ZBTJPGHTUAWSOD-AWEZNQCLSA-N 1 2 290.367 0.309 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnnc2)C1 ZINC001108237742 822093214 /nfs/dbraw/zinc/09/32/14/822093214.db2.gz AFEANCCTOSGYNU-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnnc2)C1 ZINC001108237742 822093222 /nfs/dbraw/zinc/09/32/22/822093222.db2.gz AFEANCCTOSGYNU-AWEZNQCLSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnnc2)C1 ZINC001108237743 822094151 /nfs/dbraw/zinc/09/41/51/822094151.db2.gz AFEANCCTOSGYNU-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnnc2)C1 ZINC001108237743 822094157 /nfs/dbraw/zinc/09/41/57/822094157.db2.gz AFEANCCTOSGYNU-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO COC(=O)C1(C)CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001168774626 822239624 /nfs/dbraw/zinc/23/96/24/822239624.db2.gz KVRHBDTVVCRNCX-MBHSVXNSSA-N 1 2 265.357 0.906 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2nnc[nH]2)C1 ZINC001108286879 822302949 /nfs/dbraw/zinc/30/29/49/822302949.db2.gz FRHYJWSNEWYFLB-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2nnc[nH]2)C1 ZINC001108286879 822302959 /nfs/dbraw/zinc/30/29/59/822302959.db2.gz FRHYJWSNEWYFLB-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114266886 837494715 /nfs/dbraw/zinc/49/47/15/837494715.db2.gz ZAWRTFVKGCQFMV-NHAGDIPZSA-N 1 2 289.335 0.261 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114266886 837494726 /nfs/dbraw/zinc/49/47/26/837494726.db2.gz ZAWRTFVKGCQFMV-NHAGDIPZSA-N 1 2 289.335 0.261 20 30 CCEDLO C#CCOCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001157859248 837515498 /nfs/dbraw/zinc/51/54/98/837515498.db2.gz DYBYVSDDVFPAEH-NSHDSACASA-N 1 2 294.355 0.575 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OC)C2 ZINC001110340418 844096642 /nfs/dbraw/zinc/09/66/42/844096642.db2.gz LUBHHGQGVDITAQ-LOWDOPEQSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OC)C2 ZINC001110340418 844096651 /nfs/dbraw/zinc/09/66/51/844096651.db2.gz LUBHHGQGVDITAQ-LOWDOPEQSA-N 1 2 295.383 0.045 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(Cn2cncn2)cn1 ZINC001156327913 836320660 /nfs/dbraw/zinc/32/06/60/836320660.db2.gz RVJLFTKZVXXRRN-LBPRGKRZSA-N 1 2 269.312 0.023 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)SC)CC2=O)C1 ZINC001108509293 836371503 /nfs/dbraw/zinc/37/15/03/836371503.db2.gz GVNJQLINLQDAGS-MNOVXSKESA-N 1 2 297.424 0.325 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C/CC)CC2=O)C1 ZINC001108514554 836387217 /nfs/dbraw/zinc/38/72/17/836387217.db2.gz FYZYJDONLMMKPK-XEVNVYFWSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2 ZINC001108874694 836561611 /nfs/dbraw/zinc/56/16/11/836561611.db2.gz CWHOGOHDFUXEND-RDBSUJKOSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2 ZINC001108874694 836561623 /nfs/dbraw/zinc/56/16/23/836561623.db2.gz CWHOGOHDFUXEND-RDBSUJKOSA-N 1 2 291.395 0.503 20 30 CCEDLO C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109254650 836648328 /nfs/dbraw/zinc/64/83/28/836648328.db2.gz DECDIPKGIPLENJ-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109338034 836657005 /nfs/dbraw/zinc/65/70/05/836657005.db2.gz HCBXFDIVDKBKBI-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109338034 836657008 /nfs/dbraw/zinc/65/70/08/836657008.db2.gz HCBXFDIVDKBKBI-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001109391939 836668638 /nfs/dbraw/zinc/66/86/38/836668638.db2.gz JASVLHDVBBSZBH-AGIUHOORSA-N 1 2 289.379 0.387 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001109391939 836668642 /nfs/dbraw/zinc/66/86/42/836668642.db2.gz JASVLHDVBBSZBH-AGIUHOORSA-N 1 2 289.379 0.387 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112814440 836923798 /nfs/dbraw/zinc/92/37/98/836923798.db2.gz QATISLVAFXTOHB-AWEZNQCLSA-N 1 2 250.342 0.481 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+](CCc2ccnn2C)CC1 ZINC001112833013 836932225 /nfs/dbraw/zinc/93/22/25/836932225.db2.gz DADWEPLBHDXFMZ-UHFFFAOYSA-N 1 2 288.395 0.766 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 ZINC001112874720 836946870 /nfs/dbraw/zinc/94/68/70/836946870.db2.gz KTQBXUAMPSXTSJ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113184719 837052024 /nfs/dbraw/zinc/05/20/24/837052024.db2.gz URJHFCBXOWLQLW-UHFFFAOYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](COC)OC)CC1 ZINC001113328899 837088824 /nfs/dbraw/zinc/08/88/24/837088824.db2.gz RCQQTAGOJBYLQV-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001113536821 837149924 /nfs/dbraw/zinc/14/99/24/837149924.db2.gz BWBUXSCBUMZOJD-ZJUUUORDSA-N 1 2 261.329 0.886 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1cnc(C#N)cn1 ZINC001113696248 837198197 /nfs/dbraw/zinc/19/81/97/837198197.db2.gz VGIPJMVEBXKVII-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113713453 837203402 /nfs/dbraw/zinc/20/34/02/837203402.db2.gz QMUQAFRXGBPKJA-CQSZACIVSA-N 1 2 292.383 0.618 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)c(C)cc2C#N)C[NH2+]1 ZINC001158254860 838007893 /nfs/dbraw/zinc/00/78/93/838007893.db2.gz VVYAEWDCVOJNMX-NEPJUHHUSA-N 1 2 274.324 0.886 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nncs1 ZINC001131870794 838250654 /nfs/dbraw/zinc/25/06/54/838250654.db2.gz ZXGJFUDXCQNLPM-ZDUSSCGKSA-N 1 2 298.412 0.973 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131935280 838268286 /nfs/dbraw/zinc/26/82/86/838268286.db2.gz UHIBOPRDRKENIO-NXEZZACHSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131935280 838268288 /nfs/dbraw/zinc/26/82/88/838268288.db2.gz UHIBOPRDRKENIO-NXEZZACHSA-N 1 2 273.764 0.583 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(N)=O ZINC001132033877 838301403 /nfs/dbraw/zinc/30/14/03/838301403.db2.gz MJNVXZURKNRIKL-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(N)=O ZINC001132033877 838301410 /nfs/dbraw/zinc/30/14/10/838301410.db2.gz MJNVXZURKNRIKL-VXGBXAGGSA-N 1 2 279.384 0.490 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033423 838302865 /nfs/dbraw/zinc/30/28/65/838302865.db2.gz GBNYEZKKFLXCNJ-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033423 838302868 /nfs/dbraw/zinc/30/28/68/838302868.db2.gz GBNYEZKKFLXCNJ-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132304450 838358257 /nfs/dbraw/zinc/35/82/57/838358257.db2.gz POWPONUTPCLQNJ-UHFFFAOYSA-N 1 2 252.318 0.878 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132303979 838359528 /nfs/dbraw/zinc/35/95/28/838359528.db2.gz DKPQQNQDBFMOGW-YPMHNXCESA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@H]1C ZINC001132303979 838359533 /nfs/dbraw/zinc/35/95/33/838359533.db2.gz DKPQQNQDBFMOGW-YPMHNXCESA-N 1 2 275.356 0.340 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001132433780 838397365 /nfs/dbraw/zinc/39/73/65/838397365.db2.gz PXUPUJCUHMIFBI-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001132433780 838397375 /nfs/dbraw/zinc/39/73/75/838397375.db2.gz PXUPUJCUHMIFBI-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 ZINC001133275107 838588668 /nfs/dbraw/zinc/58/86/68/838588668.db2.gz PGQLTSMKOJAWSF-YPMHNXCESA-N 1 2 289.383 0.858 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 ZINC001185571654 844433109 /nfs/dbraw/zinc/43/31/09/844433109.db2.gz FFLOTHGCGSSYRP-YPMHNXCESA-N 1 2 289.383 0.858 20 30 CCEDLO C#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1F ZINC001186050299 844499249 /nfs/dbraw/zinc/49/92/49/844499249.db2.gz RPCHXIPDQXTDLH-GFCCVEGCSA-N 1 2 262.284 0.812 20 30 CCEDLO C#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC001186050299 844499254 /nfs/dbraw/zinc/49/92/54/844499254.db2.gz RPCHXIPDQXTDLH-GFCCVEGCSA-N 1 2 262.284 0.812 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC001092129944 840992547 /nfs/dbraw/zinc/99/25/47/840992547.db2.gz DKHQAQYNROTEBX-CHWSQXEVSA-N 1 2 290.367 0.807 20 30 CCEDLO CS(=O)(=O)C1CC([NH2+]Cc2nc(C#N)cs2)C1 ZINC000715262002 841290627 /nfs/dbraw/zinc/29/06/27/841290627.db2.gz FTVQPIXBYKZAQR-UHFFFAOYSA-N 1 2 271.367 0.680 20 30 CCEDLO Cc1nc(NCCNC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001094150525 841549764 /nfs/dbraw/zinc/54/97/64/841549764.db2.gz MJXOEDPMHVMKIS-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO C[C@H](CC(=O)NCCNc1nccnc1C#N)n1cc[nH+]c1 ZINC001094168009 841551522 /nfs/dbraw/zinc/55/15/22/841551522.db2.gz SFCGVFNNBXWBJI-LLVKDONJSA-N 1 2 299.338 0.724 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001172797573 841979893 /nfs/dbraw/zinc/97/98/93/841979893.db2.gz RXGIHFSSPHDHMW-AGIUHOORSA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1cnoc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490508 842187594 /nfs/dbraw/zinc/18/75/94/842187594.db2.gz PQDMBUCFZRCEBA-UHFFFAOYSA-N 1 2 288.311 0.819 20 30 CCEDLO C=CC[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC001176836504 842421344 /nfs/dbraw/zinc/42/13/44/842421344.db2.gz QVUDRYAORVHGFQ-GFCCVEGCSA-N 1 2 251.286 0.576 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176987287 842477725 /nfs/dbraw/zinc/47/77/25/842477725.db2.gz ASYHUUQPHRTUNC-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176987287 842477729 /nfs/dbraw/zinc/47/77/29/842477729.db2.gz ASYHUUQPHRTUNC-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176989550 842479960 /nfs/dbraw/zinc/47/99/60/842479960.db2.gz UCIXNDDBPNCNFC-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176989550 842479968 /nfs/dbraw/zinc/47/99/68/842479968.db2.gz UCIXNDDBPNCNFC-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001177269009 842541519 /nfs/dbraw/zinc/54/15/19/842541519.db2.gz CKWVYJBURFMDGP-LLVKDONJSA-N 1 2 296.371 0.819 20 30 CCEDLO CO/N=C(\C(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC001177353310 842563095 /nfs/dbraw/zinc/56/30/95/842563095.db2.gz JVHXKXPZFCTBQG-VBKFSLOCSA-N 1 2 276.296 0.723 20 30 CCEDLO CN(CC(=O)N1CCOC[C@@H]1C#N)c1cccc[nH+]1 ZINC001177412917 842584310 /nfs/dbraw/zinc/58/43/10/842584310.db2.gz YDPYGEDUQHYKHX-NSHDSACASA-N 1 2 260.297 0.269 20 30 CCEDLO N#Cc1nccc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001110207387 842587929 /nfs/dbraw/zinc/58/79/29/842587929.db2.gz ZAASMHZQCJOFKC-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO N#Cc1nccnc1NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001110207401 842588054 /nfs/dbraw/zinc/58/80/54/842588054.db2.gz ZFKRTDDEFUPIDU-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO C#Cc1cnc(NC(=O)CCc2[nH]cc[nH+]2)c(C#C)n1 ZINC001177992539 842733907 /nfs/dbraw/zinc/73/39/07/842733907.db2.gz AREFMFRHOKNQRZ-UHFFFAOYSA-N 1 2 265.276 0.734 20 30 CCEDLO N#CCNCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690023 843035015 /nfs/dbraw/zinc/03/50/15/843035015.db2.gz WLXDBDKWNMNKEB-UHFFFAOYSA-N 1 2 263.345 0.742 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(O)c(C#N)c2)C1 ZINC001180761347 843272786 /nfs/dbraw/zinc/27/27/86/843272786.db2.gz LYZUMUBYTUOOSD-GFCCVEGCSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(O)c(C#N)c2)C1 ZINC001180761347 843272799 /nfs/dbraw/zinc/27/27/99/843272799.db2.gz LYZUMUBYTUOOSD-GFCCVEGCSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccsc2C#N)C1 ZINC001180755969 843276563 /nfs/dbraw/zinc/27/65/63/843276563.db2.gz FVVGDQHQSAXQRS-SECBINFHSA-N 1 2 251.311 0.889 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccsc2C#N)C1 ZINC001180755969 843276553 /nfs/dbraw/zinc/27/65/53/843276553.db2.gz FVVGDQHQSAXQRS-SECBINFHSA-N 1 2 251.311 0.889 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c3cccc(C#N)c32)C1 ZINC001180757008 843279307 /nfs/dbraw/zinc/27/93/07/843279307.db2.gz PMEGCSCIRCLZOS-NSHDSACASA-N 1 2 285.307 0.704 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c3cccc(C#N)c32)C1 ZINC001180757008 843279314 /nfs/dbraw/zinc/27/93/14/843279314.db2.gz PMEGCSCIRCLZOS-NSHDSACASA-N 1 2 285.307 0.704 20 30 CCEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760468 843284669 /nfs/dbraw/zinc/28/46/69/843284669.db2.gz FZPFEMASLMPJBB-CYBMUJFWSA-N 1 2 293.298 0.975 20 30 CCEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760468 843284683 /nfs/dbraw/zinc/28/46/83/843284683.db2.gz FZPFEMASLMPJBB-CYBMUJFWSA-N 1 2 293.298 0.975 20 30 CCEDLO COc1cccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001180760509 843286559 /nfs/dbraw/zinc/28/65/59/843286559.db2.gz HDHFMLFRDBJHQI-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001180760509 843286570 /nfs/dbraw/zinc/28/65/70/843286570.db2.gz HDHFMLFRDBJHQI-ZDUSSCGKSA-N 1 2 275.308 0.836 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CCCOCOC)C2)OCC1=O ZINC001273466685 843286728 /nfs/dbraw/zinc/28/67/28/843286728.db2.gz KXXUQXMMVOHRBV-UHFFFAOYSA-N 1 2 298.383 0.486 20 30 CCEDLO N#CC1(NC(=O)Cc2cc[nH+]c(N)c2)CCOCC1 ZINC001181278916 843440347 /nfs/dbraw/zinc/44/03/47/843440347.db2.gz CUMQJCAFBHCVNU-UHFFFAOYSA-N 1 2 260.297 0.395 20 30 CCEDLO COCC#CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001187125197 844655075 /nfs/dbraw/zinc/65/50/75/844655075.db2.gz DQBOWOJYKXXTBV-UHFFFAOYSA-N 1 2 287.363 0.418 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CC(C)(C)OC)C(=O)CO2 ZINC001273541723 844731638 /nfs/dbraw/zinc/73/16/38/844731638.db2.gz JCOWOVHGLULJSI-UHFFFAOYSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189378658 845120134 /nfs/dbraw/zinc/12/01/34/845120134.db2.gz BCTDMDVWPAAOTN-GFCCVEGCSA-N 1 2 293.371 0.050 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189378658 845120141 /nfs/dbraw/zinc/12/01/41/845120141.db2.gz BCTDMDVWPAAOTN-GFCCVEGCSA-N 1 2 293.371 0.050 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001190045885 845315335 /nfs/dbraw/zinc/31/53/35/845315335.db2.gz DKIBQMJPWHOTMK-CYBMUJFWSA-N 1 2 289.383 0.507 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001190045885 845315340 /nfs/dbraw/zinc/31/53/40/845315340.db2.gz DKIBQMJPWHOTMK-CYBMUJFWSA-N 1 2 289.383 0.507 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191686291 845719166 /nfs/dbraw/zinc/71/91/66/845719166.db2.gz FWHJSGGNAQGBOV-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191686291 845719171 /nfs/dbraw/zinc/71/91/71/845719171.db2.gz FWHJSGGNAQGBOV-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001191853220 845740549 /nfs/dbraw/zinc/74/05/49/845740549.db2.gz CQRIDONNRBQHFD-GGZOMVNGSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001191853220 845740552 /nfs/dbraw/zinc/74/05/52/845740552.db2.gz CQRIDONNRBQHFD-GGZOMVNGSA-N 1 2 294.380 0.273 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192870671 845918559 /nfs/dbraw/zinc/91/85/59/845918559.db2.gz GIFIQXLLDJOWEQ-YNEHKIRRSA-N 1 2 284.375 0.945 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192870671 845918564 /nfs/dbraw/zinc/91/85/64/845918564.db2.gz GIFIQXLLDJOWEQ-YNEHKIRRSA-N 1 2 284.375 0.945 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001193000600 845951536 /nfs/dbraw/zinc/95/15/36/845951536.db2.gz CQALSUKTXSKVTB-ZDUSSCGKSA-N 1 2 297.355 0.843 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001193000600 845951539 /nfs/dbraw/zinc/95/15/39/845951539.db2.gz CQALSUKTXSKVTB-ZDUSSCGKSA-N 1 2 297.355 0.843 20 30 CCEDLO N#Cc1ccncc1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001192979490 845961719 /nfs/dbraw/zinc/96/17/19/845961719.db2.gz LCXNQKLXOPFYKO-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC([NH+]2CCC(F)CC2)C1 ZINC001193128352 845990449 /nfs/dbraw/zinc/99/04/49/845990449.db2.gz FLXYIDITESPNIL-VIFPVBQESA-N 1 2 275.349 0.346 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CNC(=O)CC)O2 ZINC001273656293 846045703 /nfs/dbraw/zinc/04/57/03/846045703.db2.gz YKBRSZBOKYBZLR-GFCCVEGCSA-N 1 2 295.383 0.048 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC001195321749 846492707 /nfs/dbraw/zinc/49/27/07/846492707.db2.gz NZXNCRUGZLOTLX-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC001195321749 846492711 /nfs/dbraw/zinc/49/27/11/846492711.db2.gz NZXNCRUGZLOTLX-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001195318475 846506910 /nfs/dbraw/zinc/50/69/10/846506910.db2.gz JIDLFBISSRVXFT-IIAWOOMASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001195318475 846506919 /nfs/dbraw/zinc/50/69/19/846506919.db2.gz JIDLFBISSRVXFT-IIAWOOMASA-N 1 2 292.379 0.154 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195555851 846558797 /nfs/dbraw/zinc/55/87/97/846558797.db2.gz NLFSDYXYTFCFIX-ZDUSSCGKSA-N 1 2 279.384 0.588 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195555851 846558801 /nfs/dbraw/zinc/55/88/01/846558801.db2.gz NLFSDYXYTFCFIX-ZDUSSCGKSA-N 1 2 279.384 0.588 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)OCC)C1 ZINC001195517562 846561121 /nfs/dbraw/zinc/56/11/21/846561121.db2.gz AUHUUSKYKCQEOI-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)OCC)C1 ZINC001195517562 846561130 /nfs/dbraw/zinc/56/11/30/846561130.db2.gz AUHUUSKYKCQEOI-MGPQQGTHSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001196716050 846791963 /nfs/dbraw/zinc/79/19/63/846791963.db2.gz CFRIWYQGIGEOTN-YNEHKIRRSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001196716050 846791970 /nfs/dbraw/zinc/79/19/70/846791970.db2.gz CFRIWYQGIGEOTN-YNEHKIRRSA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774426 846802885 /nfs/dbraw/zinc/80/28/85/846802885.db2.gz FJVQEZZOWQXKMC-GFCCVEGCSA-N 1 2 285.363 0.571 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774426 846802884 /nfs/dbraw/zinc/80/28/84/846802884.db2.gz FJVQEZZOWQXKMC-GFCCVEGCSA-N 1 2 285.363 0.571 20 30 CCEDLO N#Cc1csc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001198751366 847161715 /nfs/dbraw/zinc/16/17/15/847161715.db2.gz DBRAPEBRPKQBOD-ZJUUUORDSA-N 1 2 267.354 0.437 20 30 CCEDLO N#Cc1csc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001198751366 847161718 /nfs/dbraw/zinc/16/17/18/847161718.db2.gz DBRAPEBRPKQBOD-ZJUUUORDSA-N 1 2 267.354 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(O)c(=O)[nH]2)CC1 ZINC001199197138 847246284 /nfs/dbraw/zinc/24/62/84/847246284.db2.gz MLCDLYYGLFNINO-UHFFFAOYSA-N 1 2 263.297 0.437 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001110533909 847343936 /nfs/dbraw/zinc/34/39/36/847343936.db2.gz MMNDNUGMFKWBIO-LOWDOPEQSA-N 1 2 277.368 0.241 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001110533909 847343940 /nfs/dbraw/zinc/34/39/40/847343940.db2.gz MMNDNUGMFKWBIO-LOWDOPEQSA-N 1 2 277.368 0.241 20 30 CCEDLO C#Cc1cccc(C[NH+]2CC3(C2)COCC(=O)N3C)c1 ZINC001273799723 847513608 /nfs/dbraw/zinc/51/36/08/847513608.db2.gz AVONWLXAXCJSGO-UHFFFAOYSA-N 1 2 270.332 0.711 20 30 CCEDLO C=CCNC(=S)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001200280133 847594346 /nfs/dbraw/zinc/59/43/46/847594346.db2.gz WRRBFFYITXMQOO-UHFFFAOYSA-N 1 2 295.412 0.688 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OC ZINC001273931617 847861763 /nfs/dbraw/zinc/86/17/63/847861763.db2.gz PMYRCOVAIGSVQM-AWEZNQCLSA-N 1 2 264.325 0.250 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC ZINC001273931617 847861775 /nfs/dbraw/zinc/86/17/75/847861775.db2.gz PMYRCOVAIGSVQM-AWEZNQCLSA-N 1 2 264.325 0.250 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001153025079 847911515 /nfs/dbraw/zinc/91/15/15/847911515.db2.gz OKFJTWZWOOLRBR-CYBMUJFWSA-N 1 2 291.399 0.945 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001153025079 847911518 /nfs/dbraw/zinc/91/15/18/847911518.db2.gz OKFJTWZWOOLRBR-CYBMUJFWSA-N 1 2 291.399 0.945 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110642642 847935217 /nfs/dbraw/zinc/93/52/17/847935217.db2.gz CPQPUQOULTVLPP-UPJWGTAASA-N 1 2 273.340 0.587 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110642642 847935232 /nfs/dbraw/zinc/93/52/32/847935232.db2.gz CPQPUQOULTVLPP-UPJWGTAASA-N 1 2 273.340 0.587 20 30 CCEDLO Cc1nc(N(C)CCOCCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115186932 847953795 /nfs/dbraw/zinc/95/37/95/847953795.db2.gz HZONGUQYLDZDII-LLVKDONJSA-N 1 2 291.355 0.514 20 30 CCEDLO CC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CCCCC#N)C2 ZINC001274043796 848316837 /nfs/dbraw/zinc/31/68/37/848316837.db2.gz UYUKQTSOIIIXBV-GFCCVEGCSA-N 1 2 293.367 0.571 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001274615325 848524748 /nfs/dbraw/zinc/52/47/48/848524748.db2.gz RYXNTKMXZNZOND-CQSZACIVSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001274629288 848526336 /nfs/dbraw/zinc/52/63/36/848526336.db2.gz ZYOCMLSZLUYHSK-CQSZACIVSA-N 1 2 296.411 0.883 20 30 CCEDLO CCC[C@@H](O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274635464 848528979 /nfs/dbraw/zinc/52/89/79/848528979.db2.gz LRGTZTJJJALJRL-CYBMUJFWSA-N 1 2 295.383 0.364 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC001275829343 848838178 /nfs/dbraw/zinc/83/81/78/848838178.db2.gz XFSBLTQUTXNBNQ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC001275829343 848838180 /nfs/dbraw/zinc/83/81/80/848838180.db2.gz XFSBLTQUTXNBNQ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cocc2C)C1 ZINC001276075659 848917865 /nfs/dbraw/zinc/91/78/65/848917865.db2.gz NBLKLQDQDRRJIP-UHFFFAOYSA-N 1 2 276.336 0.778 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001095712928 849010375 /nfs/dbraw/zinc/01/03/75/849010375.db2.gz BZWPKGXLNKQIMD-NDBYEHHHSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001095712928 849010381 /nfs/dbraw/zinc/01/03/81/849010381.db2.gz BZWPKGXLNKQIMD-NDBYEHHHSA-N 1 2 298.408 0.329 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001110893349 849014654 /nfs/dbraw/zinc/01/46/54/849014654.db2.gz GMHPXRPTKRGLGM-GMNPVEAJSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001110893349 849014663 /nfs/dbraw/zinc/01/46/63/849014663.db2.gz GMHPXRPTKRGLGM-GMNPVEAJSA-N 1 2 299.802 0.972 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307464 849161948 /nfs/dbraw/zinc/16/19/48/849161948.db2.gz KJJRWXMBAAVXMO-UPJWGTAASA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307464 849161954 /nfs/dbraw/zinc/16/19/54/849161954.db2.gz KJJRWXMBAAVXMO-UPJWGTAASA-N 1 2 291.395 0.503 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038641738 849791536 /nfs/dbraw/zinc/79/15/36/849791536.db2.gz ZONAHSFNGOKHEQ-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038641738 849791541 /nfs/dbraw/zinc/79/15/41/849791541.db2.gz ZONAHSFNGOKHEQ-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038283916 849840184 /nfs/dbraw/zinc/84/01/84/849840184.db2.gz IXCADDRAKAKVDV-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038283916 849840187 /nfs/dbraw/zinc/84/01/87/849840187.db2.gz IXCADDRAKAKVDV-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]cc-2c1=O ZINC001038300498 849842624 /nfs/dbraw/zinc/84/26/24/849842624.db2.gz HZLIEXZIGHOBGM-NSHDSACASA-N 1 2 298.346 0.913 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]cc-2c1=O ZINC001038300498 849842630 /nfs/dbraw/zinc/84/26/30/849842630.db2.gz HZLIEXZIGHOBGM-NSHDSACASA-N 1 2 298.346 0.913 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038337404 849855328 /nfs/dbraw/zinc/85/53/28/849855328.db2.gz VOZVRPMURWTGMI-GFCCVEGCSA-N 1 2 273.336 0.525 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038337404 849855332 /nfs/dbraw/zinc/85/53/32/849855332.db2.gz VOZVRPMURWTGMI-GFCCVEGCSA-N 1 2 273.336 0.525 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038365059 849865980 /nfs/dbraw/zinc/86/59/80/849865980.db2.gz BFUJSEJQTGYVBN-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038365059 849865992 /nfs/dbraw/zinc/86/59/92/849865992.db2.gz BFUJSEJQTGYVBN-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038394883 849878498 /nfs/dbraw/zinc/87/84/98/849878498.db2.gz KHYJLXUIRKNILR-CYBMUJFWSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038394883 849878506 /nfs/dbraw/zinc/87/85/06/849878506.db2.gz KHYJLXUIRKNILR-CYBMUJFWSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038516914 849930204 /nfs/dbraw/zinc/93/02/04/849930204.db2.gz PMNULPUEYWDQRO-LLVKDONJSA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038516914 849930213 /nfs/dbraw/zinc/93/02/13/849930213.db2.gz PMNULPUEYWDQRO-LLVKDONJSA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001038522101 849932410 /nfs/dbraw/zinc/93/24/10/849932410.db2.gz QDERNTRFLOKNBT-CHWSQXEVSA-N 1 2 287.367 0.054 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001038522101 849932418 /nfs/dbraw/zinc/93/24/18/849932418.db2.gz QDERNTRFLOKNBT-CHWSQXEVSA-N 1 2 287.367 0.054 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001038682945 849981020 /nfs/dbraw/zinc/98/10/20/849981020.db2.gz GDWKCAZROZLFRM-QWRGUYRKSA-N 1 2 273.340 0.544 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001038712857 849990424 /nfs/dbraw/zinc/99/04/24/849990424.db2.gz NVSJYFLJOPSIIW-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001038712857 849990435 /nfs/dbraw/zinc/99/04/35/849990435.db2.gz NVSJYFLJOPSIIW-GFCCVEGCSA-N 1 2 260.341 0.854 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)nn1 ZINC001038789115 850016963 /nfs/dbraw/zinc/01/69/63/850016963.db2.gz DASAEYMDIKRGBS-ZDUSSCGKSA-N 1 2 287.367 0.682 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)nn1 ZINC001038789115 850016966 /nfs/dbraw/zinc/01/69/66/850016966.db2.gz DASAEYMDIKRGBS-ZDUSSCGKSA-N 1 2 287.367 0.682 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001038786173 850017109 /nfs/dbraw/zinc/01/71/09/850017109.db2.gz LZJLPNNUWYHQRJ-KBPBESRZSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001038786173 850017117 /nfs/dbraw/zinc/01/71/17/850017117.db2.gz LZJLPNNUWYHQRJ-KBPBESRZSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001038811572 850024693 /nfs/dbraw/zinc/02/46/93/850024693.db2.gz OHVGDXDEGGLGTJ-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001038811572 850024706 /nfs/dbraw/zinc/02/47/06/850024706.db2.gz OHVGDXDEGGLGTJ-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902410 850072615 /nfs/dbraw/zinc/07/26/15/850072615.db2.gz NISFNRLSCKLHHL-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902410 850072631 /nfs/dbraw/zinc/07/26/31/850072631.db2.gz NISFNRLSCKLHHL-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038964462 850102931 /nfs/dbraw/zinc/10/29/31/850102931.db2.gz RFHMZPKUMPHUAA-LLVKDONJSA-N 1 2 271.324 0.490 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001038964462 850102937 /nfs/dbraw/zinc/10/29/37/850102937.db2.gz RFHMZPKUMPHUAA-LLVKDONJSA-N 1 2 271.324 0.490 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039067825 850146676 /nfs/dbraw/zinc/14/66/76/850146676.db2.gz SLKATFZCLALDPN-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039067825 850146683 /nfs/dbraw/zinc/14/66/83/850146683.db2.gz SLKATFZCLALDPN-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001039455705 850193271 /nfs/dbraw/zinc/19/32/71/850193271.db2.gz MMEAUQQBFCUIAD-NEPJUHHUSA-N 1 2 273.340 0.541 20 30 CCEDLO N#CCN1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040870841 850324219 /nfs/dbraw/zinc/32/42/19/850324219.db2.gz XYJHNEIMTLLOSV-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216163 850597844 /nfs/dbraw/zinc/59/78/44/850597844.db2.gz MMKPDIUXSGBQFA-WCQYABFASA-N 1 2 290.367 0.848 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216163 850597860 /nfs/dbraw/zinc/59/78/60/850597860.db2.gz MMKPDIUXSGBQFA-WCQYABFASA-N 1 2 290.367 0.848 20 30 CCEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCCO)C1 ZINC001042590138 850704979 /nfs/dbraw/zinc/70/49/79/850704979.db2.gz VLUCUXQZDKVRDM-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001042636846 850719083 /nfs/dbraw/zinc/71/90/83/850719083.db2.gz URHPFIKPWKTPPC-LLVKDONJSA-N 1 2 263.345 0.558 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001042636798 850719133 /nfs/dbraw/zinc/71/91/33/850719133.db2.gz SSGKAPCPZXLPDP-LLVKDONJSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001042721772 850744792 /nfs/dbraw/zinc/74/47/92/850744792.db2.gz RVMBIIZSHDNZCX-UHFFFAOYSA-N 1 2 287.367 0.322 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccnn2C)C1 ZINC001042739140 850749483 /nfs/dbraw/zinc/74/94/83/850749483.db2.gz AIDNWZABQGNJRK-LLVKDONJSA-N 1 2 262.357 0.852 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001042943811 850785917 /nfs/dbraw/zinc/78/59/17/850785917.db2.gz HIJDRFYTYUXETK-HNNXBMFYSA-N 1 2 299.374 0.842 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001043139350 850821237 /nfs/dbraw/zinc/82/12/37/850821237.db2.gz FUJNOBYHZIZZHO-LBPRGKRZSA-N 1 2 286.379 0.599 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001043139350 850821241 /nfs/dbraw/zinc/82/12/41/850821241.db2.gz FUJNOBYHZIZZHO-LBPRGKRZSA-N 1 2 286.379 0.599 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001043269686 850844263 /nfs/dbraw/zinc/84/42/63/850844263.db2.gz YLHOGDIRQHGGJG-UHFFFAOYSA-N 1 2 262.357 0.829 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001043382779 850863264 /nfs/dbraw/zinc/86/32/64/850863264.db2.gz GQPIVXXDJHXJJU-AEGPPILISA-N 1 2 276.380 0.967 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001043600455 850905339 /nfs/dbraw/zinc/90/53/39/850905339.db2.gz SVJAFUFXLPXLEF-OAHLLOKOSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001043937658 850967782 /nfs/dbraw/zinc/96/77/82/850967782.db2.gz LDGOTXPQVZVKAL-UHFFFAOYSA-N 1 2 290.367 0.293 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001044065057 850995748 /nfs/dbraw/zinc/99/57/48/850995748.db2.gz IJSMUJYKVHZWLK-UHFFFAOYSA-N 1 2 276.340 0.205 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001044177912 851031868 /nfs/dbraw/zinc/03/18/68/851031868.db2.gz XICQJQCZAZPOPH-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001044328851 851077838 /nfs/dbraw/zinc/07/78/38/851077838.db2.gz PXWXJWPGALHAAE-LBPRGKRZSA-N 1 2 289.383 0.559 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046053267 851360088 /nfs/dbraw/zinc/36/00/88/851360088.db2.gz WWILNVVTURUNCK-ZIAGYGMSSA-N 1 2 296.390 0.723 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277092 851448924 /nfs/dbraw/zinc/44/89/24/851448924.db2.gz DDWDRUGFTFTTNO-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277092 851448927 /nfs/dbraw/zinc/44/89/27/851448927.db2.gz DDWDRUGFTFTTNO-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(OC)ns2)C1 ZINC001046327064 851467962 /nfs/dbraw/zinc/46/79/62/851467962.db2.gz FQTLNKBQYHIVJF-CYBMUJFWSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(OC)ns2)C1 ZINC001046327064 851467965 /nfs/dbraw/zinc/46/79/65/851467965.db2.gz FQTLNKBQYHIVJF-CYBMUJFWSA-N 1 2 279.365 0.979 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046374341 851479626 /nfs/dbraw/zinc/47/96/26/851479626.db2.gz MXTSWVQOABUAKQ-HNNXBMFYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046374341 851479631 /nfs/dbraw/zinc/47/96/31/851479631.db2.gz MXTSWVQOABUAKQ-HNNXBMFYSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)nn1 ZINC001096126864 851615743 /nfs/dbraw/zinc/61/57/43/851615743.db2.gz KLLAKVVEPONCTD-MDZLAQPJSA-N 1 2 293.346 0.769 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)nn1 ZINC001096126864 851615755 /nfs/dbraw/zinc/61/57/55/851615755.db2.gz KLLAKVVEPONCTD-MDZLAQPJSA-N 1 2 293.346 0.769 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2CC)C1 ZINC001047332333 851722729 /nfs/dbraw/zinc/72/27/29/851722729.db2.gz SCUPRSCPSPFYOD-RYUDHWBXSA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2CC)C1 ZINC001047332333 851722733 /nfs/dbraw/zinc/72/27/33/851722733.db2.gz SCUPRSCPSPFYOD-RYUDHWBXSA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001047406909 851752729 /nfs/dbraw/zinc/75/27/29/851752729.db2.gz UJPCDDGZZSWGLE-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001047406909 851752734 /nfs/dbraw/zinc/75/27/34/851752734.db2.gz UJPCDDGZZSWGLE-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2CC)C1 ZINC001047449979 851769111 /nfs/dbraw/zinc/76/91/11/851769111.db2.gz MVMOMRYYHZRPBX-QWRGUYRKSA-N 1 2 296.396 0.404 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2CC)C1 ZINC001047449979 851769115 /nfs/dbraw/zinc/76/91/15/851769115.db2.gz MVMOMRYYHZRPBX-QWRGUYRKSA-N 1 2 296.396 0.404 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCC)c2)C1 ZINC001047549047 851812598 /nfs/dbraw/zinc/81/25/98/851812598.db2.gz NPGOPFVJSAPNFS-KBPBESRZSA-N 1 2 290.367 0.043 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCC)c2)C1 ZINC001047549047 851812601 /nfs/dbraw/zinc/81/26/01/851812601.db2.gz NPGOPFVJSAPNFS-KBPBESRZSA-N 1 2 290.367 0.043 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001047587110 851825264 /nfs/dbraw/zinc/82/52/64/851825264.db2.gz VXMJMAWLBFEBKB-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001047587110 851825270 /nfs/dbraw/zinc/82/52/70/851825270.db2.gz VXMJMAWLBFEBKB-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359939 851955221 /nfs/dbraw/zinc/95/52/21/851955221.db2.gz JHLLZCQSXFEPRF-WFASDCNBSA-N 1 2 290.367 0.807 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097026037 852490858 /nfs/dbraw/zinc/49/08/58/852490858.db2.gz CLANWQSJSYEHHR-DBIOUOCHSA-N 1 2 299.758 0.569 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097026037 852490862 /nfs/dbraw/zinc/49/08/62/852490862.db2.gz CLANWQSJSYEHHR-DBIOUOCHSA-N 1 2 299.758 0.569 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097068398 852494746 /nfs/dbraw/zinc/49/47/46/852494746.db2.gz BHWYLWDHRKSJDF-DRZSPHRISA-N 1 2 288.351 0.882 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097163990 852507876 /nfs/dbraw/zinc/50/78/76/852507876.db2.gz BMWPNXBUYIHJFQ-BBBLOLIVSA-N 1 2 299.338 0.582 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640660 852553292 /nfs/dbraw/zinc/55/32/92/852553292.db2.gz RZDYSLAKQKGRTF-KKOKHZNYSA-N 1 2 297.786 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640660 852553299 /nfs/dbraw/zinc/55/32/99/852553299.db2.gz RZDYSLAKQKGRTF-KKOKHZNYSA-N 1 2 297.786 0.597 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccon1)CCO2 ZINC001053199266 852707565 /nfs/dbraw/zinc/70/75/65/852707565.db2.gz RSYQBICKLNLFBY-UHFFFAOYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1csnn1)O2 ZINC001053634387 852771839 /nfs/dbraw/zinc/77/18/39/852771839.db2.gz RQKOXTOWUGQZSW-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccn1)CO2 ZINC001053722559 852788606 /nfs/dbraw/zinc/78/86/06/852788606.db2.gz TYRROSCCHDBZEI-ZDUSSCGKSA-N 1 2 285.347 0.678 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)no1)CO2 ZINC001053733545 852794145 /nfs/dbraw/zinc/79/41/45/852794145.db2.gz YKHYQZOOEILTAM-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780371 852817957 /nfs/dbraw/zinc/81/79/57/852817957.db2.gz JXGACIVMEZAHFD-CQSZACIVSA-N 1 2 298.346 0.483 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC1(F)F)CO2 ZINC001053796489 852824422 /nfs/dbraw/zinc/82/44/22/852824422.db2.gz JFFSZRDNEGSGMT-QWRGUYRKSA-N 1 2 284.306 0.624 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncn1C)CO2 ZINC001053859783 852833882 /nfs/dbraw/zinc/83/38/82/852833882.db2.gz OVMBNAVELDPDLB-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1conc1C)CO2 ZINC001053914806 852845062 /nfs/dbraw/zinc/84/50/62/852845062.db2.gz UYJHVFUIXGTZAU-GFCCVEGCSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnnc1)CO2 ZINC001053936771 852850633 /nfs/dbraw/zinc/85/06/33/852850633.db2.gz SMEJPFIFIPPZHV-CYBMUJFWSA-N 1 2 288.351 0.626 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)o1 ZINC001054638917 852986323 /nfs/dbraw/zinc/98/63/23/852986323.db2.gz REAOHGCRMVMKLW-MFKMUULPSA-N 1 2 288.351 0.728 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NCC#N ZINC001054722123 853003545 /nfs/dbraw/zinc/00/35/45/853003545.db2.gz PPZGVKXFUXMPNC-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC001054722123 853003553 /nfs/dbraw/zinc/00/35/53/853003553.db2.gz PPZGVKXFUXMPNC-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)nn1 ZINC001097999205 853085211 /nfs/dbraw/zinc/08/52/11/853085211.db2.gz KLLAKVVEPONCTD-WZRBSPASSA-N 1 2 293.346 0.769 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)nn1 ZINC001097999205 853085215 /nfs/dbraw/zinc/08/52/15/853085215.db2.gz KLLAKVVEPONCTD-WZRBSPASSA-N 1 2 293.346 0.769 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001056790596 853213794 /nfs/dbraw/zinc/21/37/94/853213794.db2.gz MJCGKQOSENUELC-LLVKDONJSA-N 1 2 297.322 0.327 20 30 CCEDLO CC(C)(C(=O)N1CCC[C@@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC001000698986 853246855 /nfs/dbraw/zinc/24/68/55/853246855.db2.gz WNZMIJSUELAUMP-LLVKDONJSA-N 1 2 275.356 0.791 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050741778 853421907 /nfs/dbraw/zinc/42/19/07/853421907.db2.gz ORUFWQXEIFDEEQ-UHFFFAOYSA-N 1 2 287.367 0.709 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050773279 853427242 /nfs/dbraw/zinc/42/72/42/853427242.db2.gz HVAJVLLMZMTXFB-UHFFFAOYSA-N 1 2 273.340 0.331 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnnn1C ZINC001050902906 853481883 /nfs/dbraw/zinc/48/18/83/853481883.db2.gz NRMYAQQSIAUOBL-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnnn1C ZINC001050902906 853481890 /nfs/dbraw/zinc/48/18/90/853481890.db2.gz NRMYAQQSIAUOBL-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001050973126 853498977 /nfs/dbraw/zinc/49/89/77/853498977.db2.gz SLWQDPKXXFPHSP-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001050973126 853498981 /nfs/dbraw/zinc/49/89/81/853498981.db2.gz SLWQDPKXXFPHSP-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC)cn1 ZINC001051217847 853547861 /nfs/dbraw/zinc/54/78/61/853547861.db2.gz WPVWBJXZNGTXCQ-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC)cn1 ZINC001051217847 853547862 /nfs/dbraw/zinc/54/78/62/853547862.db2.gz WPVWBJXZNGTXCQ-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051997377 853672150 /nfs/dbraw/zinc/67/21/50/853672150.db2.gz AXRJNRINQRLJIG-GJZGRUSLSA-N 1 2 288.395 0.388 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998519 853674122 /nfs/dbraw/zinc/67/41/22/853674122.db2.gz VFMPUDSSYXNZCN-UONOGXRCSA-N 1 2 276.384 0.551 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001052088474 853681764 /nfs/dbraw/zinc/68/17/64/853681764.db2.gz JHVIIENDGLXYQX-HUUCEWRRSA-N 1 2 287.407 0.638 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052067471 853682201 /nfs/dbraw/zinc/68/22/01/853682201.db2.gz KJONQECPFWKIFN-XHSDSOJGSA-N 1 2 289.423 0.884 20 30 CCEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058422420 853843744 /nfs/dbraw/zinc/84/37/44/853843744.db2.gz DQVDGLHTNOBGKQ-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001069890108 853993772 /nfs/dbraw/zinc/99/37/72/853993772.db2.gz DBCBSOYCSHMNPB-NEPJUHHUSA-N 1 2 287.323 0.712 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001069890108 853993776 /nfs/dbraw/zinc/99/37/76/853993776.db2.gz DBCBSOYCSHMNPB-NEPJUHHUSA-N 1 2 287.323 0.712 20 30 CCEDLO CC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070624936 854082470 /nfs/dbraw/zinc/08/24/70/854082470.db2.gz PJEXWSFWGACKRR-JHJVBQTASA-N 1 2 289.383 0.874 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CC2)CC1 ZINC001070930380 854103058 /nfs/dbraw/zinc/10/30/58/854103058.db2.gz YLDBJFMEEOSOHS-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC2CC2)CC1 ZINC001070930380 854103062 /nfs/dbraw/zinc/10/30/62/854103062.db2.gz YLDBJFMEEOSOHS-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001071911788 854317122 /nfs/dbraw/zinc/31/71/22/854317122.db2.gz RGGMSPDKTWIHBI-MNOVXSKESA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001071911788 854317124 /nfs/dbraw/zinc/31/71/24/854317124.db2.gz RGGMSPDKTWIHBI-MNOVXSKESA-N 1 2 263.345 0.964 20 30 CCEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001072735607 854455679 /nfs/dbraw/zinc/45/56/79/854455679.db2.gz JERMPRWJATULRI-ZDUSSCGKSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001072735607 854455682 /nfs/dbraw/zinc/45/56/82/854455682.db2.gz JERMPRWJATULRI-ZDUSSCGKSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001074180744 854688033 /nfs/dbraw/zinc/68/80/33/854688033.db2.gz HRNWAOWWUVTVOV-ZIAGYGMSSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001074180744 854688039 /nfs/dbraw/zinc/68/80/39/854688039.db2.gz HRNWAOWWUVTVOV-ZIAGYGMSSA-N 1 2 288.351 0.348 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001074218742 854698955 /nfs/dbraw/zinc/69/89/55/854698955.db2.gz DMUJRDRONWINLG-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001074218742 854698957 /nfs/dbraw/zinc/69/89/57/854698957.db2.gz DMUJRDRONWINLG-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074237472 854702641 /nfs/dbraw/zinc/70/26/41/854702641.db2.gz ZPVXRRWXIZLVTR-GJZGRUSLSA-N 1 2 292.379 0.084 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074237472 854702648 /nfs/dbraw/zinc/70/26/48/854702648.db2.gz ZPVXRRWXIZLVTR-GJZGRUSLSA-N 1 2 292.379 0.084 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001074568090 854749812 /nfs/dbraw/zinc/74/98/12/854749812.db2.gz JHQMUUXSUXHHHF-YWVKMMECSA-N 1 2 279.369 0.777 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001100734412 855215756 /nfs/dbraw/zinc/21/57/56/855215756.db2.gz BBFGGCGFIDLFLU-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102611358 855449470 /nfs/dbraw/zinc/44/94/70/855449470.db2.gz UEAOIRHQCURHPP-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001103161539 855500793 /nfs/dbraw/zinc/50/07/93/855500793.db2.gz DRMOYSCDYFPWQD-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001103161850 855501638 /nfs/dbraw/zinc/50/16/38/855501638.db2.gz LWCSYSVOKNZCIY-GFCCVEGCSA-N 1 2 298.350 0.648 20 30 CCEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001103162457 855501723 /nfs/dbraw/zinc/50/17/23/855501723.db2.gz YUTAIMSVRIWMFS-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773782 855593585 /nfs/dbraw/zinc/59/35/85/855593585.db2.gz OFRLODMDAXPGHU-WFASDCNBSA-N 1 2 287.367 0.837 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773782 855593586 /nfs/dbraw/zinc/59/35/86/855593586.db2.gz OFRLODMDAXPGHU-WFASDCNBSA-N 1 2 287.367 0.837 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC001118085748 856155648 /nfs/dbraw/zinc/15/56/48/856155648.db2.gz JWBNYDIEIYVNAC-SNVBAGLBSA-N 1 2 257.297 0.714 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC001118401295 856290582 /nfs/dbraw/zinc/29/05/82/856290582.db2.gz SQWSXZPARWMBDD-CHWSQXEVSA-N 1 2 288.351 0.260 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118708796 856406055 /nfs/dbraw/zinc/40/60/55/856406055.db2.gz FGJLACYWRXEKEX-GJZGRUSLSA-N 1 2 287.363 0.546 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118708796 856406059 /nfs/dbraw/zinc/40/60/59/856406059.db2.gz FGJLACYWRXEKEX-GJZGRUSLSA-N 1 2 287.363 0.546 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001119663925 856825526 /nfs/dbraw/zinc/82/55/26/856825526.db2.gz ZTUABWYVLHFVKB-OCCSQVGLSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001119663925 856825532 /nfs/dbraw/zinc/82/55/32/856825532.db2.gz ZTUABWYVLHFVKB-OCCSQVGLSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001119677414 856832249 /nfs/dbraw/zinc/83/22/49/856832249.db2.gz GTMYXXFCQHITSZ-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(CC)CCNC1=O ZINC001323245947 912217527 /nfs/dbraw/zinc/21/75/27/912217527.db2.gz JDNYZEGUDLJATJ-DOMZBBRYSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(CC)CCNC1=O ZINC001323245947 912217540 /nfs/dbraw/zinc/21/75/40/912217540.db2.gz JDNYZEGUDLJATJ-DOMZBBRYSA-N 1 2 277.368 0.117 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001323279288 912240405 /nfs/dbraw/zinc/24/04/05/912240405.db2.gz UBQCGCITNKTYMT-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001323279288 912240422 /nfs/dbraw/zinc/24/04/22/912240422.db2.gz UBQCGCITNKTYMT-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001392967912 912289742 /nfs/dbraw/zinc/28/97/42/912289742.db2.gz KTNUKWBBOVYATB-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@@H](O)COC)C2)CCC1 ZINC001323979054 912609779 /nfs/dbraw/zinc/60/97/79/912609779.db2.gz MEPCKQCIZPSADZ-CQSZACIVSA-N 1 2 296.411 0.883 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C#N)cn1 ZINC001324770017 913027371 /nfs/dbraw/zinc/02/73/71/913027371.db2.gz MCOJHONFEKTYRB-UHFFFAOYSA-N 1 2 255.281 0.844 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001325218087 913289660 /nfs/dbraw/zinc/28/96/60/913289660.db2.gz WSEDKAUKWQLURM-ZIAGYGMSSA-N 1 2 278.396 0.999 20 30 CCEDLO C=C1CC(C)(C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)C1 ZINC001325274044 913310561 /nfs/dbraw/zinc/31/05/61/913310561.db2.gz NTUJOKUVYGHSSV-LBPRGKRZSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001325311564 913335492 /nfs/dbraw/zinc/33/54/92/913335492.db2.gz IYOCFPLAPSMMRD-AWEZNQCLSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001481041034 892107497 /nfs/dbraw/zinc/10/74/97/892107497.db2.gz XIWJXGMIBITZRA-CQSZACIVSA-N 1 2 291.351 0.795 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001481041034 892107505 /nfs/dbraw/zinc/10/75/05/892107505.db2.gz XIWJXGMIBITZRA-CQSZACIVSA-N 1 2 291.351 0.795 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001481044634 892113139 /nfs/dbraw/zinc/11/31/39/892113139.db2.gz BWFVYDBREMNDLP-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCS(C)(=O)=O ZINC001481044634 892113148 /nfs/dbraw/zinc/11/31/48/892113148.db2.gz BWFVYDBREMNDLP-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001408849957 892488188 /nfs/dbraw/zinc/48/81/88/892488188.db2.gz XYOFQFRJERYYLW-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N(C)C1 ZINC001481676680 892990577 /nfs/dbraw/zinc/99/05/77/892990577.db2.gz KXOVJQLHXJPYKL-RYUDHWBXSA-N 1 2 290.367 0.991 20 30 CCEDLO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N(C)C1 ZINC001481676680 892990583 /nfs/dbraw/zinc/99/05/83/892990583.db2.gz KXOVJQLHXJPYKL-RYUDHWBXSA-N 1 2 290.367 0.991 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481694407 893017436 /nfs/dbraw/zinc/01/74/36/893017436.db2.gz QZADKLKXHOWONY-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@H](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481694407 893017456 /nfs/dbraw/zinc/01/74/56/893017456.db2.gz QZADKLKXHOWONY-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001493498559 893436396 /nfs/dbraw/zinc/43/63/96/893436396.db2.gz CACKNXGAXZBPEA-NXEZZACHSA-N 1 2 295.343 0.485 20 30 CCEDLO C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1ncn[nH]1 ZINC001482500491 894162358 /nfs/dbraw/zinc/16/23/58/894162358.db2.gz VPTRVAJOEDJXCX-VXGBXAGGSA-N 1 2 275.356 0.197 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CCCCC1 ZINC001482576861 894270963 /nfs/dbraw/zinc/27/09/63/894270963.db2.gz QFISKRBZABPCCW-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CCCCC1 ZINC001482576861 894270974 /nfs/dbraw/zinc/27/09/74/894270974.db2.gz QFISKRBZABPCCW-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001396808629 913964373 /nfs/dbraw/zinc/96/43/73/913964373.db2.gz ZCVBNWIMHVIFOZ-ZYHUDNBSSA-N 1 2 289.339 0.171 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001483321362 895454592 /nfs/dbraw/zinc/45/45/92/895454592.db2.gz CBTGXWKCLSLFAY-VIFPVBQESA-N 1 2 283.763 0.861 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001483321362 895454593 /nfs/dbraw/zinc/45/45/93/895454593.db2.gz CBTGXWKCLSLFAY-VIFPVBQESA-N 1 2 283.763 0.861 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001483681876 895844952 /nfs/dbraw/zinc/84/49/52/895844952.db2.gz MGVNSJGDMRRUOA-QWHCGFSZSA-N 1 2 262.353 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001483681876 895844963 /nfs/dbraw/zinc/84/49/63/895844963.db2.gz MGVNSJGDMRRUOA-QWHCGFSZSA-N 1 2 262.353 0.627 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001483863010 896087629 /nfs/dbraw/zinc/08/76/29/896087629.db2.gz JCOOHAHXMPTHDJ-LLVKDONJSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001484299240 896326883 /nfs/dbraw/zinc/32/68/83/896326883.db2.gz HJMUQPJJMAWUHX-ZDUSSCGKSA-N 1 2 290.363 0.878 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cccs2)C1 ZINC001484426583 896393723 /nfs/dbraw/zinc/39/37/23/896393723.db2.gz QNJQTZQUQGKISY-CQSZACIVSA-N 1 2 278.377 0.938 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cccs2)C1 ZINC001484426583 896393743 /nfs/dbraw/zinc/39/37/43/896393743.db2.gz QNJQTZQUQGKISY-CQSZACIVSA-N 1 2 278.377 0.938 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001484796788 896608195 /nfs/dbraw/zinc/60/81/95/896608195.db2.gz PHRASFDOFZTJQA-CYBMUJFWSA-N 1 2 298.358 0.345 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001485366036 896995433 /nfs/dbraw/zinc/99/54/33/896995433.db2.gz QHLDRKRPBNBVPY-QMMMGPOBSA-N 1 2 258.709 0.872 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001485366036 896995445 /nfs/dbraw/zinc/99/54/45/896995445.db2.gz QHLDRKRPBNBVPY-QMMMGPOBSA-N 1 2 258.709 0.872 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@]2(C1)C[N@H+](CC=C)CCO2 ZINC001485555281 897116518 /nfs/dbraw/zinc/11/65/18/897116518.db2.gz BJUXFQJTGGWTSS-MRXNPFEDSA-N 1 2 292.379 0.516 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@]2(C1)C[N@@H+](CC=C)CCO2 ZINC001485555281 897116525 /nfs/dbraw/zinc/11/65/25/897116525.db2.gz BJUXFQJTGGWTSS-MRXNPFEDSA-N 1 2 292.379 0.516 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001077731698 897367381 /nfs/dbraw/zinc/36/73/81/897367381.db2.gz LGVKYLJBLTZYJO-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001077731698 897367394 /nfs/dbraw/zinc/36/73/94/897367394.db2.gz LGVKYLJBLTZYJO-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CC1 ZINC001032380796 897378735 /nfs/dbraw/zinc/37/87/35/897378735.db2.gz AOWBCDPHRNCFSX-IHRRRGAJSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CC1 ZINC001032380796 897378750 /nfs/dbraw/zinc/37/87/50/897378750.db2.gz AOWBCDPHRNCFSX-IHRRRGAJSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032383581 897392173 /nfs/dbraw/zinc/39/21/73/897392173.db2.gz SCPPUZFGUXKOGU-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 ZINC001032383581 897392188 /nfs/dbraw/zinc/39/21/88/897392188.db2.gz SCPPUZFGUXKOGU-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cccc(C)c1=O ZINC001032401942 897456473 /nfs/dbraw/zinc/45/64/73/897456473.db2.gz GJAGJFSBPADVHX-KBPBESRZSA-N 1 2 285.347 0.075 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cccc(C)c1=O ZINC001032401942 897456481 /nfs/dbraw/zinc/45/64/81/897456481.db2.gz GJAGJFSBPADVHX-KBPBESRZSA-N 1 2 285.347 0.075 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ncn1C ZINC001032460779 897600511 /nfs/dbraw/zinc/60/05/11/897600511.db2.gz CYUUDYJGWQHVDC-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ncn1C ZINC001032460779 897600518 /nfs/dbraw/zinc/60/05/18/897600518.db2.gz CYUUDYJGWQHVDC-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cncnc1 ZINC001032585604 897777503 /nfs/dbraw/zinc/77/75/03/897777503.db2.gz OOGOHFJXEPDGJB-UBHSHLNASA-N 1 2 270.336 0.498 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cncnc1 ZINC001032585604 897777509 /nfs/dbraw/zinc/77/75/09/897777509.db2.gz OOGOHFJXEPDGJB-UBHSHLNASA-N 1 2 270.336 0.498 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001032629881 897850521 /nfs/dbraw/zinc/85/05/21/897850521.db2.gz OQHBVGXVLDRFFS-KBMXLJTQSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001032629881 897850536 /nfs/dbraw/zinc/85/05/36/897850536.db2.gz OQHBVGXVLDRFFS-KBMXLJTQSA-N 1 2 281.359 0.715 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncccn2n1 ZINC001032693040 897939459 /nfs/dbraw/zinc/93/94/59/897939459.db2.gz LZCQGRKRKKKGHL-RYUDHWBXSA-N 1 2 296.334 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncccn2n1 ZINC001032693040 897939468 /nfs/dbraw/zinc/93/94/68/897939468.db2.gz LZCQGRKRKKKGHL-RYUDHWBXSA-N 1 2 296.334 0.046 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001032719981 897972752 /nfs/dbraw/zinc/97/27/52/897972752.db2.gz FZBVGCYSBOEGSE-AGIUHOORSA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001032719981 897972759 /nfs/dbraw/zinc/97/27/59/897972759.db2.gz FZBVGCYSBOEGSE-AGIUHOORSA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001032719981 897972765 /nfs/dbraw/zinc/97/27/65/897972765.db2.gz FZBVGCYSBOEGSE-AGIUHOORSA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001032719981 897972771 /nfs/dbraw/zinc/97/27/71/897972771.db2.gz FZBVGCYSBOEGSE-AGIUHOORSA-N 1 2 286.379 0.986 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2cc(C)nc12 ZINC001032721455 897975315 /nfs/dbraw/zinc/97/53/15/897975315.db2.gz HJMLXOMGNHKIOU-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2cc(C)nc12 ZINC001032721455 897975323 /nfs/dbraw/zinc/97/53/23/897975323.db2.gz HJMLXOMGNHKIOU-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001077885949 897997197 /nfs/dbraw/zinc/99/71/97/897997197.db2.gz HQTHEVMYNHAULD-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001077885949 897997207 /nfs/dbraw/zinc/99/72/07/897997207.db2.gz HQTHEVMYNHAULD-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)N1CCCC1=O ZINC001032728250 898019078 /nfs/dbraw/zinc/01/90/78/898019078.db2.gz SSCDZTPWZLAVLH-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)N1CCCC1=O ZINC001032728250 898019086 /nfs/dbraw/zinc/01/90/86/898019086.db2.gz SSCDZTPWZLAVLH-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001077958919 898111674 /nfs/dbraw/zinc/11/16/74/898111674.db2.gz SXNNYBFNUMFYPL-VXGBXAGGSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001077958919 898111680 /nfs/dbraw/zinc/11/16/80/898111680.db2.gz SXNNYBFNUMFYPL-VXGBXAGGSA-N 1 2 291.351 0.596 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001077981211 898141053 /nfs/dbraw/zinc/14/10/53/898141053.db2.gz CXPFPOWSAZGWJO-VXGBXAGGSA-N 1 2 290.367 0.115 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001077981211 898141060 /nfs/dbraw/zinc/14/10/60/898141060.db2.gz CXPFPOWSAZGWJO-VXGBXAGGSA-N 1 2 290.367 0.115 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1cc(C)on1 ZINC001032778898 898172744 /nfs/dbraw/zinc/17/27/44/898172744.db2.gz OTNGKBCPRZZPEI-QWRGUYRKSA-N 1 2 290.323 0.393 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1cc(C)on1 ZINC001032778898 898172748 /nfs/dbraw/zinc/17/27/48/898172748.db2.gz OTNGKBCPRZZPEI-QWRGUYRKSA-N 1 2 290.323 0.393 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001078061387 898215131 /nfs/dbraw/zinc/21/51/31/898215131.db2.gz QLBNZRZAPORJIM-ZIAGYGMSSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001078061387 898215151 /nfs/dbraw/zinc/21/51/51/898215151.db2.gz QLBNZRZAPORJIM-ZIAGYGMSSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccs1 ZINC001032790170 898233356 /nfs/dbraw/zinc/23/33/56/898233356.db2.gz XOCMWYWRZMNZLR-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccs1 ZINC001032790170 898233370 /nfs/dbraw/zinc/23/33/70/898233370.db2.gz XOCMWYWRZMNZLR-RYUDHWBXSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001078145551 898265648 /nfs/dbraw/zinc/26/56/48/898265648.db2.gz RUFFSNZTGKYSBJ-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001078145551 898265663 /nfs/dbraw/zinc/26/56/63/898265663.db2.gz RUFFSNZTGKYSBJ-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001078161181 898273614 /nfs/dbraw/zinc/27/36/14/898273614.db2.gz IMPWPJRLLHPKQI-GHMZBOCLSA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001078161181 898273626 /nfs/dbraw/zinc/27/36/26/898273626.db2.gz IMPWPJRLLHPKQI-GHMZBOCLSA-N 1 2 279.340 0.506 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001078274705 898319375 /nfs/dbraw/zinc/31/93/75/898319375.db2.gz VFKOBFZRTMZTIW-ZIAGYGMSSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001078274705 898319388 /nfs/dbraw/zinc/31/93/88/898319388.db2.gz VFKOBFZRTMZTIW-ZIAGYGMSSA-N 1 2 284.315 0.841 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001032803893 898389942 /nfs/dbraw/zinc/38/99/42/898389942.db2.gz PNFGZKAMAVAZKK-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001032803893 898389954 /nfs/dbraw/zinc/38/99/54/898389954.db2.gz PNFGZKAMAVAZKK-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486149869 898686693 /nfs/dbraw/zinc/68/66/93/898686693.db2.gz UZAFFCMINKHQNI-HIFRSBDPSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486149869 898686703 /nfs/dbraw/zinc/68/67/03/898686703.db2.gz UZAFFCMINKHQNI-HIFRSBDPSA-N 1 2 287.367 0.979 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](CNCC#N)C1 ZINC001486215818 898716555 /nfs/dbraw/zinc/71/65/55/898716555.db2.gz LNTXBAJOANODHS-RYUDHWBXSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001488637837 900327482 /nfs/dbraw/zinc/32/74/82/900327482.db2.gz JKPFPALXMIDXAI-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001488637837 900327487 /nfs/dbraw/zinc/32/74/87/900327487.db2.gz JKPFPALXMIDXAI-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001490448702 900623358 /nfs/dbraw/zinc/62/33/58/900623358.db2.gz CGDHVTLMPVADCZ-SNVBAGLBSA-N 1 2 285.775 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001490448702 900623364 /nfs/dbraw/zinc/62/33/64/900623364.db2.gz CGDHVTLMPVADCZ-SNVBAGLBSA-N 1 2 285.775 0.585 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001490436354 900629963 /nfs/dbraw/zinc/62/99/63/900629963.db2.gz GKUQDWCVXYZWLF-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001490436354 900629969 /nfs/dbraw/zinc/62/99/69/900629969.db2.gz GKUQDWCVXYZWLF-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C2CCCC2)CC1 ZINC001490478286 900634907 /nfs/dbraw/zinc/63/49/07/900634907.db2.gz CTVQWFWDXDYYNY-UHFFFAOYSA-N 1 2 263.385 0.544 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CCC1 ZINC001490558825 900664377 /nfs/dbraw/zinc/66/43/77/900664377.db2.gz PNJSDGYBIQLGJV-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CCC1 ZINC001490558825 900664382 /nfs/dbraw/zinc/66/43/82/900664382.db2.gz PNJSDGYBIQLGJV-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001327301334 914471006 /nfs/dbraw/zinc/47/10/06/914471006.db2.gz UBRAKKAGRJYCKB-RYUDHWBXSA-N 1 2 290.367 0.785 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)OCC)O2 ZINC001327343848 914489630 /nfs/dbraw/zinc/48/96/30/914489630.db2.gz JHILIVLMEFCIKE-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCOCC)O2 ZINC001327345834 914489669 /nfs/dbraw/zinc/48/96/69/914489669.db2.gz VWXVJLUZOVNWRL-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001411662036 901183531 /nfs/dbraw/zinc/18/35/31/901183531.db2.gz WLGBXKWLHXSUSZ-NXEZZACHSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001411664129 901186947 /nfs/dbraw/zinc/18/69/47/901186947.db2.gz FDSYEZRNBDJUNO-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001038688683 902650829 /nfs/dbraw/zinc/65/08/29/902650829.db2.gz XJAUSUAUAXFBNT-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001038688683 902650840 /nfs/dbraw/zinc/65/08/40/902650840.db2.gz XJAUSUAUAXFBNT-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1nncs1 ZINC001491423297 903569720 /nfs/dbraw/zinc/56/97/20/903569720.db2.gz JSTQDARVWOPJFD-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001280920292 904171961 /nfs/dbraw/zinc/17/19/61/904171961.db2.gz QLBGUQAXNYLOGX-ZDUSSCGKSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280946430 904179525 /nfs/dbraw/zinc/17/95/25/904179525.db2.gz BPBSFRVTAQFCGP-STQMWFEESA-N 1 2 280.368 0.130 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@@H](C)[NH2+]Cc1csnn1 ZINC001282099128 904412546 /nfs/dbraw/zinc/41/25/46/904412546.db2.gz ZJJISYYSICXXQJ-RKDXNWHRSA-N 1 2 299.425 0.778 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C(C)(C)COC)C1 ZINC001282527157 904502530 /nfs/dbraw/zinc/50/25/30/904502530.db2.gz DBBKYHKBYDQGOG-UHFFFAOYSA-N 1 2 282.384 0.235 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)CCCF ZINC001282821241 904548243 /nfs/dbraw/zinc/54/82/43/904548243.db2.gz HPXBLJRZRIWIIC-NSHDSACASA-N 1 2 298.362 0.202 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)CCCF ZINC001282821241 904548249 /nfs/dbraw/zinc/54/82/49/904548249.db2.gz HPXBLJRZRIWIIC-NSHDSACASA-N 1 2 298.362 0.202 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)CCn1cc[nH+]c1 ZINC001283305336 904796999 /nfs/dbraw/zinc/79/69/99/904796999.db2.gz RMZSIKIMUQXPPI-LLVKDONJSA-N 1 2 277.328 0.055 20 30 CCEDLO C=CCOCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001327927550 914867593 /nfs/dbraw/zinc/86/75/93/914867593.db2.gz POBZFTKNSXPTBM-UHFFFAOYSA-N 1 2 294.355 0.050 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001377843055 905186076 /nfs/dbraw/zinc/18/60/76/905186076.db2.gz NPYYNZAQWRTKHQ-ONGXEEELSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001377843055 905186081 /nfs/dbraw/zinc/18/60/81/905186081.db2.gz NPYYNZAQWRTKHQ-ONGXEEELSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1csnn1 ZINC001284416474 905280266 /nfs/dbraw/zinc/28/02/66/905280266.db2.gz NNVWPXUCEWVWKK-LBPRGKRZSA-N 1 2 298.412 0.803 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001377967640 905285540 /nfs/dbraw/zinc/28/55/40/905285540.db2.gz BIVBVYKKVSLODN-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001377967640 905285558 /nfs/dbraw/zinc/28/55/58/905285558.db2.gz BIVBVYKKVSLODN-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001378005087 905322499 /nfs/dbraw/zinc/32/24/99/905322499.db2.gz LFTWEWBOPCTYQG-QWRGUYRKSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001378005087 905322516 /nfs/dbraw/zinc/32/25/16/905322516.db2.gz LFTWEWBOPCTYQG-QWRGUYRKSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001378118835 905431327 /nfs/dbraw/zinc/43/13/27/905431327.db2.gz ARDNIDBALIVYIC-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001378118835 905431338 /nfs/dbraw/zinc/43/13/38/905431338.db2.gz ARDNIDBALIVYIC-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001285583655 905676628 /nfs/dbraw/zinc/67/66/28/905676628.db2.gz BXSMLFRYJJQZHG-WAYWQWQTSA-N 1 2 290.367 0.884 20 30 CCEDLO C=CCn1nnnc1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001333672718 906079449 /nfs/dbraw/zinc/07/94/49/906079449.db2.gz GYKWKJWNRFPAIW-VXGBXAGGSA-N 1 2 278.360 0.159 20 30 CCEDLO C=CC(C)(C)C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001293472303 906476343 /nfs/dbraw/zinc/47/63/43/906476343.db2.gz QJSQZACIBQZPOS-UHFFFAOYSA-N 1 2 278.356 0.787 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001294737064 906628349 /nfs/dbraw/zinc/62/83/49/906628349.db2.gz BWVNWDHKGRTIEE-CYBMUJFWSA-N 1 2 286.335 0.014 20 30 CCEDLO N#Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)ccn1 ZINC001297364781 907062269 /nfs/dbraw/zinc/06/22/69/907062269.db2.gz DCTQLQVLHDYPHT-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001381084369 907066594 /nfs/dbraw/zinc/06/65/94/907066594.db2.gz SPDBLGRMLFMBCT-VXGBXAGGSA-N 1 2 288.355 0.069 20 30 CCEDLO C=CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001337796939 921294351 /nfs/dbraw/zinc/29/43/51/921294351.db2.gz YEMPTOQXYOORMP-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001381582052 907307045 /nfs/dbraw/zinc/30/70/45/907307045.db2.gz IFRJTADDCOBOKM-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001381582052 907307062 /nfs/dbraw/zinc/30/70/62/907307062.db2.gz IFRJTADDCOBOKM-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)N(C)CCC#N ZINC001337953874 921322128 /nfs/dbraw/zinc/32/21/28/921322128.db2.gz RLGZYSNXAZEIRD-NXEZZACHSA-N 1 2 264.333 0.226 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C#N)o1 ZINC001382052603 907511097 /nfs/dbraw/zinc/51/10/97/907511097.db2.gz ASXNXNHUZLAUCE-ZJUUUORDSA-N 1 2 279.344 0.728 20 30 CCEDLO CCC1(C(=O)NCC[N@H+](C)CC(=O)NCC#N)CCC1 ZINC001492378613 907884307 /nfs/dbraw/zinc/88/43/07/907884307.db2.gz RVRAPGVXDGEMQM-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO CCC1(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)CCC1 ZINC001492378613 907884324 /nfs/dbraw/zinc/88/43/24/907884324.db2.gz RVRAPGVXDGEMQM-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)OCC ZINC001302758984 908039349 /nfs/dbraw/zinc/03/93/49/908039349.db2.gz DIXRKDWBCXOMRM-QWHCGFSZSA-N 1 2 281.356 0.801 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)OCC ZINC001302758984 908039363 /nfs/dbraw/zinc/03/93/63/908039363.db2.gz DIXRKDWBCXOMRM-QWHCGFSZSA-N 1 2 281.356 0.801 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001303789677 908114173 /nfs/dbraw/zinc/11/41/73/908114173.db2.gz FNCGGFLDRDNJBR-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)c2nccn21 ZINC001308845064 908438082 /nfs/dbraw/zinc/43/80/82/908438082.db2.gz YZEXCMIUHVOMAQ-BBBLOLIVSA-N 1 2 250.302 0.859 20 30 CCEDLO C=CC[NH+]1CCC(N(C)C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001316934332 908856446 /nfs/dbraw/zinc/85/64/46/908856446.db2.gz ONZQAXFGIKLXLV-LLVKDONJSA-N 1 2 288.413 0.528 20 30 CCEDLO CC(C)(C)OCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316964627 908871547 /nfs/dbraw/zinc/87/15/47/908871547.db2.gz VSGKHRNYWDIERV-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC[C@@H](C)OC)CC1 ZINC001316962885 908874971 /nfs/dbraw/zinc/87/49/71/908874971.db2.gz CKVDGDVTQRJYFN-CQSZACIVSA-N 1 2 281.400 0.169 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001316988013 908902027 /nfs/dbraw/zinc/90/20/27/908902027.db2.gz WMOVNPIRWYVTJM-MGPQQGTHSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001316988013 908902041 /nfs/dbraw/zinc/90/20/41/908902041.db2.gz WMOVNPIRWYVTJM-MGPQQGTHSA-N 1 2 293.411 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001316987231 908903313 /nfs/dbraw/zinc/90/33/13/908903313.db2.gz AXIVVBZGUZNGAF-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001316987231 908903325 /nfs/dbraw/zinc/90/33/25/908903325.db2.gz AXIVVBZGUZNGAF-CQSZACIVSA-N 1 2 274.368 0.795 20 30 CCEDLO N#CCN[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001317016730 908921343 /nfs/dbraw/zinc/92/13/43/908921343.db2.gz FPMIBXWNYCMSGR-GFCCVEGCSA-N 1 2 261.329 0.350 20 30 CCEDLO N#CCN[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001317016730 908921350 /nfs/dbraw/zinc/92/13/50/908921350.db2.gz FPMIBXWNYCMSGR-GFCCVEGCSA-N 1 2 261.329 0.350 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001338424394 921463222 /nfs/dbraw/zinc/46/32/22/921463222.db2.gz UCLBCGPLBMCBSA-HBNTYKKESA-N 1 2 263.345 0.011 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001338424394 921463224 /nfs/dbraw/zinc/46/32/24/921463224.db2.gz UCLBCGPLBMCBSA-HBNTYKKESA-N 1 2 263.345 0.011 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)C=CCC1 ZINC001317455764 909232401 /nfs/dbraw/zinc/23/24/01/909232401.db2.gz ACYRKVDURRLICC-OAHLLOKOSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)C=CCC1 ZINC001317455764 909232417 /nfs/dbraw/zinc/23/24/17/909232417.db2.gz ACYRKVDURRLICC-OAHLLOKOSA-N 1 2 279.384 0.693 20 30 CCEDLO CCN(CCNC(=O)CCn1cc[nH+]c1)C(=O)[C@H](C)C#N ZINC001388360517 909445830 /nfs/dbraw/zinc/44/58/30/909445830.db2.gz VTZRMZPQOIUHFV-GFCCVEGCSA-N 1 2 291.355 0.398 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCCOC)CC1 ZINC001317816328 909508675 /nfs/dbraw/zinc/50/86/75/909508675.db2.gz DDJKHEMIWOKNHE-UHFFFAOYSA-N 1 2 295.427 0.512 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001317919735 909535815 /nfs/dbraw/zinc/53/58/15/909535815.db2.gz GHNNKSNTYOIJBG-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001317919735 909535818 /nfs/dbraw/zinc/53/58/18/909535818.db2.gz GHNNKSNTYOIJBG-VHSXEESVSA-N 1 2 289.326 0.523 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC001317969361 909555498 /nfs/dbraw/zinc/55/54/98/909555498.db2.gz VNXJWSGNUZUJEP-AWEZNQCLSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC=C)C1 ZINC001317969361 909555507 /nfs/dbraw/zinc/55/55/07/909555507.db2.gz VNXJWSGNUZUJEP-AWEZNQCLSA-N 1 2 291.395 0.673 20 30 CCEDLO C#CCCCCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001318016677 909576945 /nfs/dbraw/zinc/57/69/45/909576945.db2.gz SOAWMEXRLMBMHY-UHFFFAOYSA-N 1 2 274.368 0.914 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C(C)(CC)CC)C1 ZINC001318175764 909654397 /nfs/dbraw/zinc/65/43/97/909654397.db2.gz FDXJRTYXCIFOTJ-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318529898 909802825 /nfs/dbraw/zinc/80/28/25/909802825.db2.gz XALMWKOBFVWZCH-LLVKDONJSA-N 1 2 280.376 0.551 20 30 CCEDLO C[C@@H](CC(=O)N1CCC[C@@H]1CNCC#N)n1cc[nH+]c1 ZINC001319113330 909990151 /nfs/dbraw/zinc/99/01/51/909990151.db2.gz IZJWXFLZLAMLTH-QWHCGFSZSA-N 1 2 275.356 0.938 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319320671 910097127 /nfs/dbraw/zinc/09/71/27/910097127.db2.gz XYYMYGRBRHAREQ-CHWSQXEVSA-N 1 2 270.373 0.398 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319320671 910097143 /nfs/dbraw/zinc/09/71/43/910097143.db2.gz XYYMYGRBRHAREQ-CHWSQXEVSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C)n[nH]1 ZINC001319979610 910390486 /nfs/dbraw/zinc/39/04/86/910390486.db2.gz WXJCHBOBIYFKIH-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C)n[nH]1 ZINC001319979610 910390506 /nfs/dbraw/zinc/39/05/06/910390506.db2.gz WXJCHBOBIYFKIH-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C)[nH]n1 ZINC001319979610 910390524 /nfs/dbraw/zinc/39/05/24/910390524.db2.gz WXJCHBOBIYFKIH-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C)[nH]n1 ZINC001319979610 910390543 /nfs/dbraw/zinc/39/05/43/910390543.db2.gz WXJCHBOBIYFKIH-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC001320158860 910485313 /nfs/dbraw/zinc/48/53/13/910485313.db2.gz BEWIYPLGFIXISF-JTQLQIEISA-N 1 2 280.328 0.135 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC001320158860 910485331 /nfs/dbraw/zinc/48/53/31/910485331.db2.gz BEWIYPLGFIXISF-JTQLQIEISA-N 1 2 280.328 0.135 20 30 CCEDLO N#CCCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001320578653 910742919 /nfs/dbraw/zinc/74/29/19/910742919.db2.gz BRJQDRNRQNKJNO-JTQLQIEISA-N 1 2 268.342 0.421 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001321169080 911133163 /nfs/dbraw/zinc/13/31/63/911133163.db2.gz GJQAAVYKFCAVIL-WCQYABFASA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC001321235595 911181315 /nfs/dbraw/zinc/18/13/15/911181315.db2.gz MAUUAYXCDRVIQU-UHFFFAOYSA-N 1 2 290.396 0.225 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1ncn[nH]1 ZINC001321303541 911215619 /nfs/dbraw/zinc/21/56/19/911215619.db2.gz VKGRCKZCXNUUSD-NSCUHMNNSA-N 1 2 255.709 0.433 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1nc[nH]n1 ZINC001321303541 911215638 /nfs/dbraw/zinc/21/56/38/911215638.db2.gz VKGRCKZCXNUUSD-NSCUHMNNSA-N 1 2 255.709 0.433 20 30 CCEDLO C=CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001323012599 912071194 /nfs/dbraw/zinc/07/11/94/912071194.db2.gz DJBPYFKVLZGRFL-JTQLQIEISA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323200566 912177421 /nfs/dbraw/zinc/17/74/21/912177421.db2.gz WJIVEJHJDBAYFS-CYBMUJFWSA-N 1 2 266.341 0.029 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323200566 912177427 /nfs/dbraw/zinc/17/74/27/912177427.db2.gz WJIVEJHJDBAYFS-CYBMUJFWSA-N 1 2 266.341 0.029 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001323227620 912202480 /nfs/dbraw/zinc/20/24/80/912202480.db2.gz SJFMOVATNBOELT-GFCCVEGCSA-N 1 2 286.379 0.655 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001323227620 912202499 /nfs/dbraw/zinc/20/24/99/912202499.db2.gz SJFMOVATNBOELT-GFCCVEGCSA-N 1 2 286.379 0.655 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](OC)C3CC3)n2C)CC1 ZINC001339462566 921729071 /nfs/dbraw/zinc/72/90/71/921729071.db2.gz PFTFRUUVSWIZSJ-ZDUSSCGKSA-N 1 2 289.383 0.668 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC1 ZINC001339529248 921752533 /nfs/dbraw/zinc/75/25/33/921752533.db2.gz GRVXIJZSBXQIBH-NWDGAFQWSA-N 1 2 277.372 0.802 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC1 ZINC001339529248 921752544 /nfs/dbraw/zinc/75/25/44/921752544.db2.gz GRVXIJZSBXQIBH-NWDGAFQWSA-N 1 2 277.372 0.802 20 30 CCEDLO CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)C#N ZINC001399629551 915276112 /nfs/dbraw/zinc/27/61/12/915276112.db2.gz BFTZDGQMJZAELR-ZYHUDNBSSA-N 1 2 291.355 0.369 20 30 CCEDLO COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001329126938 915688901 /nfs/dbraw/zinc/68/89/01/915688901.db2.gz PXVFCKDJACHECE-VHSXEESVSA-N 1 2 282.319 0.295 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001400480046 915767908 /nfs/dbraw/zinc/76/79/08/915767908.db2.gz BXCOCVIETSBPOE-UHFFFAOYSA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001401518470 916302991 /nfs/dbraw/zinc/30/29/91/916302991.db2.gz XQXXQXGXYNLDOA-RQJHMYQMSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F ZINC001401518470 916303009 /nfs/dbraw/zinc/30/30/09/916303009.db2.gz XQXXQXGXYNLDOA-RQJHMYQMSA-N 1 2 292.660 0.706 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001331203929 917179422 /nfs/dbraw/zinc/17/94/22/917179422.db2.gz MSDFWVQIMMPJNN-UONOGXRCSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001331203929 917179435 /nfs/dbraw/zinc/17/94/35/917179435.db2.gz MSDFWVQIMMPJNN-UONOGXRCSA-N 1 2 288.351 0.437 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(C)o2)nn1 ZINC001331228311 917200795 /nfs/dbraw/zinc/20/07/95/917200795.db2.gz RNHYGLQDJQEGPB-VIFPVBQESA-N 1 2 260.301 0.692 20 30 CCEDLO COc1coc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)cc1=O ZINC001403507054 917755336 /nfs/dbraw/zinc/75/53/36/917755336.db2.gz LVUUGUOWPIKYAY-SNVBAGLBSA-N 1 2 293.323 0.356 20 30 CCEDLO COc1coc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)cc1=O ZINC001403507054 917755347 /nfs/dbraw/zinc/75/53/47/917755347.db2.gz LVUUGUOWPIKYAY-SNVBAGLBSA-N 1 2 293.323 0.356 20 30 CCEDLO C=C[C@@H](COC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001331961597 917759631 /nfs/dbraw/zinc/75/96/31/917759631.db2.gz WLADAUKIXJQOKB-RXNFCKPNSA-N 1 2 254.330 0.192 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCCSC1 ZINC001332012689 917802288 /nfs/dbraw/zinc/80/22/88/917802288.db2.gz MDXMRDOQOLDSAT-QMMMGPOBSA-N 1 2 267.358 0.887 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCCSC1 ZINC001332012683 917802790 /nfs/dbraw/zinc/80/27/90/917802790.db2.gz MDXMRDOQOLDSAT-MRVPVSSYSA-N 1 2 267.358 0.887 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC001332107361 917866007 /nfs/dbraw/zinc/86/60/07/917866007.db2.gz WELCKGAUIUUELL-NEPJUHHUSA-N 1 2 296.367 0.508 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)N(C)C(=O)[C@@H](C)C#N ZINC001404425075 918341592 /nfs/dbraw/zinc/34/15/92/918341592.db2.gz DZHIAPIQIUWFEJ-WDEREUQCSA-N 1 2 291.355 0.085 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407781175 919884638 /nfs/dbraw/zinc/88/46/38/919884638.db2.gz QBKLXQOKIVBRDV-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407781175 919884646 /nfs/dbraw/zinc/88/46/46/919884646.db2.gz QBKLXQOKIVBRDV-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001335454259 920202765 /nfs/dbraw/zinc/20/27/65/920202765.db2.gz WJKGBWXGUMWGKZ-VIFPVBQESA-N 1 2 297.302 0.997 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)SC)n2C)CC1 ZINC001339783151 921828741 /nfs/dbraw/zinc/82/87/41/921828741.db2.gz ARAUNGZLJMMHOP-NSHDSACASA-N 1 2 279.413 0.994 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1csnn1 ZINC001418207902 921911829 /nfs/dbraw/zinc/91/18/29/921911829.db2.gz GODKFWIHJWCWBW-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)[C@@H](C)O)n2C)CC1 ZINC001340040889 921928670 /nfs/dbraw/zinc/92/86/70/921928670.db2.gz OQQZXXKYJJXTMK-OLZOCXBDSA-N 1 2 291.399 0.445 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573112 922125880 /nfs/dbraw/zinc/12/58/80/922125880.db2.gz VQSUVTVFXLUJFS-ZWNOBZJWSA-N 1 2 281.360 0.373 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573112 922125884 /nfs/dbraw/zinc/12/58/84/922125884.db2.gz VQSUVTVFXLUJFS-ZWNOBZJWSA-N 1 2 281.360 0.373 20 30 CCEDLO Cn1nccc1C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001418451165 922129359 /nfs/dbraw/zinc/12/93/59/922129359.db2.gz MNOCKBTVQCTQAN-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001418451165 922129367 /nfs/dbraw/zinc/12/93/67/922129367.db2.gz MNOCKBTVQCTQAN-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO C#CCN(CC)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001341215876 922381299 /nfs/dbraw/zinc/38/12/99/922381299.db2.gz ZJEKKXAZHVOGEY-CYBMUJFWSA-N 1 2 291.399 0.714 20 30 CCEDLO C#CCN(CC)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001341215876 922381309 /nfs/dbraw/zinc/38/13/09/922381309.db2.gz ZJEKKXAZHVOGEY-CYBMUJFWSA-N 1 2 291.399 0.714 20 30 CCEDLO C#CCN(CC)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001341215877 922382439 /nfs/dbraw/zinc/38/24/39/922382439.db2.gz ZJEKKXAZHVOGEY-ZDUSSCGKSA-N 1 2 291.399 0.714 20 30 CCEDLO C#CCN(CC)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001341215877 922382453 /nfs/dbraw/zinc/38/24/53/922382453.db2.gz ZJEKKXAZHVOGEY-ZDUSSCGKSA-N 1 2 291.399 0.714 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001419091044 922632503 /nfs/dbraw/zinc/63/25/03/922632503.db2.gz TVMUKQMXKURJOG-NWDGAFQWSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001419091044 922632509 /nfs/dbraw/zinc/63/25/09/922632509.db2.gz TVMUKQMXKURJOG-NWDGAFQWSA-N 1 2 275.356 0.660 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C ZINC001420175280 923369313 /nfs/dbraw/zinc/36/93/13/923369313.db2.gz ZBCXKKXRVHGNLF-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C ZINC001420175280 923369326 /nfs/dbraw/zinc/36/93/26/923369326.db2.gz ZBCXKKXRVHGNLF-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO C=C[C@@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001344775382 923685504 /nfs/dbraw/zinc/68/55/04/923685504.db2.gz ZJYUATQLAIALKF-UPJWGTAASA-N 1 2 269.341 0.984 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001420633306 923837505 /nfs/dbraw/zinc/83/75/05/923837505.db2.gz LTHNDKZXTVRRGJ-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001420633306 923837520 /nfs/dbraw/zinc/83/75/20/923837520.db2.gz LTHNDKZXTVRRGJ-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO CN(C)c1ncccc1C[NH+]1CCN(CC#N)CC1 ZINC001347136461 924380868 /nfs/dbraw/zinc/38/08/68/924380868.db2.gz GYLJVDIDMWAZLR-UHFFFAOYSA-N 1 2 259.357 0.789 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC2CC(F)(F)C2)CC1 ZINC001479933679 924873483 /nfs/dbraw/zinc/87/34/83/924873483.db2.gz JLZKNWJAGATHTA-UHFFFAOYSA-N 1 2 299.365 0.789 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001350563051 925225873 /nfs/dbraw/zinc/22/58/73/925225873.db2.gz SZUJWXJXJCXCEF-JOYOIKCWSA-N 1 2 250.302 0.510 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N1CCN(CCC#N)CC1 ZINC001352899284 925667591 /nfs/dbraw/zinc/66/75/91/925667591.db2.gz QESPXLWLEWEBOZ-AWEZNQCLSA-N 1 2 266.389 0.238 20 30 CCEDLO C=CCCC(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001353064529 925719344 /nfs/dbraw/zinc/71/93/44/925719344.db2.gz QPNGCVBETJSSAO-GFCCVEGCSA-N 1 2 290.367 0.929 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CF)C1 ZINC001353109508 925732695 /nfs/dbraw/zinc/73/26/95/925732695.db2.gz LVJGZELVPHZSFR-UWVGGRQHSA-N 1 2 258.293 0.251 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NCCNS(C)(=O)=O ZINC001354028536 925988613 /nfs/dbraw/zinc/98/86/13/925988613.db2.gz FPMHOVDELHSETF-UHFFFAOYSA-N 1 2 297.380 0.835 20 30 CCEDLO C[C@H]([C@H](C)Nc1nnccc1C#N)[NH+]1CCOCC1 ZINC001354103022 926016948 /nfs/dbraw/zinc/01/69/48/926016948.db2.gz WNIGOMJDKWSDBU-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCOC)n2CC=C)CC1 ZINC001355921304 926326330 /nfs/dbraw/zinc/32/63/30/926326330.db2.gz PVMWHGATKPRJCA-UHFFFAOYSA-N 1 2 289.383 0.408 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)C#N)n1 ZINC001424062824 928082438 /nfs/dbraw/zinc/08/24/38/928082438.db2.gz GFNCILVIISBTMM-NXEZZACHSA-N 1 2 295.343 0.009 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ncccn1 ZINC001424270832 928143526 /nfs/dbraw/zinc/14/35/26/928143526.db2.gz ARRUFVZAVWQLDH-LBPRGKRZSA-N 1 2 275.356 0.917 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1ncccn1 ZINC001424270832 928143534 /nfs/dbraw/zinc/14/35/34/928143534.db2.gz ARRUFVZAVWQLDH-LBPRGKRZSA-N 1 2 275.356 0.917 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1C#N ZINC001363250350 929026515 /nfs/dbraw/zinc/02/65/15/929026515.db2.gz SPOKDAHWNIRIRZ-RISCZKNCSA-N 1 2 290.319 0.130 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1C#N ZINC001363250350 929026527 /nfs/dbraw/zinc/02/65/27/929026527.db2.gz SPOKDAHWNIRIRZ-RISCZKNCSA-N 1 2 290.319 0.130 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001371950799 929681833 /nfs/dbraw/zinc/68/18/33/929681833.db2.gz CUVMTNNGNBGCSE-UHFFFAOYSA-N 1 2 291.355 0.073 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001371950799 929681839 /nfs/dbraw/zinc/68/18/39/929681839.db2.gz CUVMTNNGNBGCSE-UHFFFAOYSA-N 1 2 291.355 0.073 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001372031864 929710912 /nfs/dbraw/zinc/71/09/12/929710912.db2.gz XRADYDLTGIOVJD-UHFFFAOYSA-N 1 2 288.779 0.202 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001372031864 929710924 /nfs/dbraw/zinc/71/09/24/929710924.db2.gz XRADYDLTGIOVJD-UHFFFAOYSA-N 1 2 288.779 0.202 20 30 CCEDLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001445352395 930109974 /nfs/dbraw/zinc/10/99/74/930109974.db2.gz ORPHNFMCRZGPDX-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001373393102 930171718 /nfs/dbraw/zinc/17/17/18/930171718.db2.gz LXHPKEAZGRABEU-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001373393102 930171721 /nfs/dbraw/zinc/17/17/21/930171721.db2.gz LXHPKEAZGRABEU-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449198008 931098523 /nfs/dbraw/zinc/09/85/23/931098523.db2.gz XHCMJSFKUKAPFO-QWRGUYRKSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001449198008 931098532 /nfs/dbraw/zinc/09/85/32/931098532.db2.gz XHCMJSFKUKAPFO-QWRGUYRKSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988099 260151639 /nfs/dbraw/zinc/15/16/39/260151639.db2.gz ABQBWYPDXPCJCL-QJPTWQEYSA-N 1 2 251.330 0.204 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599589454 361754508 /nfs/dbraw/zinc/75/45/08/361754508.db2.gz ZFKNNYMGKJAKBC-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599589454 361754514 /nfs/dbraw/zinc/75/45/14/361754514.db2.gz ZFKNNYMGKJAKBC-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)[C@@H](C)COC ZINC000617578132 365686302 /nfs/dbraw/zinc/68/63/02/365686302.db2.gz CVYAXANZAVONJT-KBPBESRZSA-N 1 2 283.416 0.672 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554891 349664642 /nfs/dbraw/zinc/66/46/42/349664642.db2.gz FARAETUTIPFADL-LLVKDONJSA-N 1 2 258.325 0.554 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000600715840 362044739 /nfs/dbraw/zinc/04/47/39/362044739.db2.gz CXYGXFLKOLRDOY-ZDUSSCGKSA-N 1 2 272.308 0.811 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC000600825076 362072458 /nfs/dbraw/zinc/07/24/58/362072458.db2.gz HTWUMQOQLXTKTF-SSDOTTSWSA-N 1 2 258.285 0.552 20 30 CCEDLO N#CC1(C(=O)N2CC[NH+](CCO)CC2)CC2(CC2)C1 ZINC000600992775 362120085 /nfs/dbraw/zinc/12/00/85/362120085.db2.gz ASVKZJVPVBOHIW-UHFFFAOYSA-N 1 2 263.341 0.207 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601032686 362135963 /nfs/dbraw/zinc/13/59/63/362135963.db2.gz ZIQVKAXHQVPRMM-UHFFFAOYSA-N 1 2 277.368 0.861 20 30 CCEDLO N#Cc1cc(NCC2([NH+]3CCOCC3)CC2)nc(C2CC2)n1 ZINC000601154350 362161120 /nfs/dbraw/zinc/16/11/20/362161120.db2.gz HWCAZHXQDWXIMR-UHFFFAOYSA-N 1 2 299.378 0.924 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601115341 362151702 /nfs/dbraw/zinc/15/17/02/362151702.db2.gz GCHQCGCNUIIRGC-CYBMUJFWSA-N 1 2 286.383 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601115341 362151705 /nfs/dbraw/zinc/15/17/05/362151705.db2.gz GCHQCGCNUIIRGC-CYBMUJFWSA-N 1 2 286.383 0.305 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601115342 362151873 /nfs/dbraw/zinc/15/18/73/362151873.db2.gz GCHQCGCNUIIRGC-ZDUSSCGKSA-N 1 2 286.383 0.305 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNc2cc(C#N)nc(C3CC3)n2)C1 ZINC000601115342 362151877 /nfs/dbraw/zinc/15/18/77/362151877.db2.gz GCHQCGCNUIIRGC-ZDUSSCGKSA-N 1 2 286.383 0.305 20 30 CCEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000601785776 362392859 /nfs/dbraw/zinc/39/28/59/362392859.db2.gz CMUQIFCYPLCLNR-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000601785776 362392861 /nfs/dbraw/zinc/39/28/61/362392861.db2.gz CMUQIFCYPLCLNR-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ncc(CCO)cn1 ZINC000601962373 362439238 /nfs/dbraw/zinc/43/92/38/362439238.db2.gz LLQRVGXZXXMCBY-GFCCVEGCSA-N 1 2 296.396 0.310 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ncc(CCO)cn1 ZINC000601962373 362439240 /nfs/dbraw/zinc/43/92/40/362439240.db2.gz LLQRVGXZXXMCBY-GFCCVEGCSA-N 1 2 296.396 0.310 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC#N)CC1 ZINC000602200695 362554919 /nfs/dbraw/zinc/55/49/19/362554919.db2.gz RVEIFJWTJJEHPW-CHWSQXEVSA-N 1 2 287.367 0.581 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000602200785 362554369 /nfs/dbraw/zinc/55/43/69/362554369.db2.gz SOLPNMOGQJXBCX-LBPRGKRZSA-N 1 2 287.367 0.572 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000602200785 362554373 /nfs/dbraw/zinc/55/43/73/362554373.db2.gz SOLPNMOGQJXBCX-LBPRGKRZSA-N 1 2 287.367 0.572 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(=O)[nH]c1 ZINC000602426188 362610822 /nfs/dbraw/zinc/61/08/22/362610822.db2.gz YUHGZFJDNIIXEV-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602370433 362599446 /nfs/dbraw/zinc/59/94/46/362599446.db2.gz DOBGRLDCYVMSCV-MNOVXSKESA-N 1 2 254.334 0.118 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602370433 362599450 /nfs/dbraw/zinc/59/94/50/362599450.db2.gz DOBGRLDCYVMSCV-MNOVXSKESA-N 1 2 254.334 0.118 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000119584042 349942801 /nfs/dbraw/zinc/94/28/01/349942801.db2.gz ASDXXUSIISOPBF-UHFFFAOYSA-N 1 2 290.367 0.793 20 30 CCEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OC ZINC000602733827 362775092 /nfs/dbraw/zinc/77/50/92/362775092.db2.gz LFXJZLZYNFSIKE-WDEREUQCSA-N 1 2 254.330 0.753 20 30 CCEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OC ZINC000602733825 362775293 /nfs/dbraw/zinc/77/52/93/362775293.db2.gz LFXJZLZYNFSIKE-MNOVXSKESA-N 1 2 254.330 0.753 20 30 CCEDLO CC(C)NC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602766415 362790090 /nfs/dbraw/zinc/79/00/90/362790090.db2.gz JIFZNNPHVAMJQD-UHFFFAOYSA-N 1 2 278.400 0.822 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000273302624 192105561 /nfs/dbraw/zinc/10/55/61/192105561.db2.gz MBKJTKSQQQONCE-GFCCVEGCSA-N 1 2 278.356 0.884 20 30 CCEDLO COc1cncc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)n1 ZINC000602850126 362838166 /nfs/dbraw/zinc/83/81/66/362838166.db2.gz OVZQJOBQOAVFGP-VXGBXAGGSA-N 1 2 275.356 0.903 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000602851534 362839750 /nfs/dbraw/zinc/83/97/50/362839750.db2.gz LXGBXPWGXASGQS-ZDUSSCGKSA-N 1 2 260.297 0.371 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000602851534 362839753 /nfs/dbraw/zinc/83/97/53/362839753.db2.gz LXGBXPWGXASGQS-ZDUSSCGKSA-N 1 2 260.297 0.371 20 30 CCEDLO C[C@@H](C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)S(C)(=O)=O ZINC000602847343 362834306 /nfs/dbraw/zinc/83/43/06/362834306.db2.gz AKQIWPDYWZKXES-UTUOFQBUSA-N 1 2 273.402 0.338 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856112 362842424 /nfs/dbraw/zinc/84/24/24/362842424.db2.gz INAJJIFBDAHOAL-TXEJJXNPSA-N 1 2 250.346 0.207 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856112 362842426 /nfs/dbraw/zinc/84/24/26/362842426.db2.gz INAJJIFBDAHOAL-TXEJJXNPSA-N 1 2 250.346 0.207 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCCOC2)c1C#N ZINC000535510699 290832884 /nfs/dbraw/zinc/83/28/84/290832884.db2.gz KDMNATADQXNDDN-JTQLQIEISA-N 1 2 291.355 0.220 20 30 CCEDLO N#CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000021436283 348078919 /nfs/dbraw/zinc/07/89/19/348078919.db2.gz FSJKNOQJXISDEI-UHFFFAOYSA-N 1 2 272.352 0.444 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C[N@@H+]1C ZINC000344720900 137209337 /nfs/dbraw/zinc/20/93/37/137209337.db2.gz HJDZNIZEUCMIKA-ZJUUUORDSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C[N@H+]1C ZINC000344720900 137209338 /nfs/dbraw/zinc/20/93/38/137209338.db2.gz HJDZNIZEUCMIKA-ZJUUUORDSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000602869127 362853008 /nfs/dbraw/zinc/85/30/08/362853008.db2.gz MOGITYIPOAFNCS-JTQLQIEISA-N 1 2 295.364 0.920 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CCOC)CC1 ZINC000042565706 348285562 /nfs/dbraw/zinc/28/55/62/348285562.db2.gz BJBVMMIJUGIUJL-HNNXBMFYSA-N 1 2 295.427 0.840 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000046061425 348348982 /nfs/dbraw/zinc/34/89/82/348348982.db2.gz BDOBBDKOEQORDR-CQSZACIVSA-N 1 2 282.388 0.484 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000046061425 348348985 /nfs/dbraw/zinc/34/89/85/348348985.db2.gz BDOBBDKOEQORDR-CQSZACIVSA-N 1 2 282.388 0.484 20 30 CCEDLO CC(C)[C@H](CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000046025329 348347155 /nfs/dbraw/zinc/34/71/55/348347155.db2.gz QSWCCPFHJBJMAJ-LBPRGKRZSA-N 1 2 285.413 0.716 20 30 CCEDLO COCC[N@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000072688804 348928378 /nfs/dbraw/zinc/92/83/78/348928378.db2.gz SYPQENHSWARXFA-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO COCC[N@@H+](CCC#N)CCN1C(=O)NC(C)(C)C1=O ZINC000072688804 348928383 /nfs/dbraw/zinc/92/83/83/348928383.db2.gz SYPQENHSWARXFA-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000072701415 348928680 /nfs/dbraw/zinc/92/86/80/348928680.db2.gz MJQSJDLHPCBNGQ-FZMZJTMJSA-N 1 2 282.388 0.449 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000072701415 348928683 /nfs/dbraw/zinc/92/86/83/348928683.db2.gz MJQSJDLHPCBNGQ-FZMZJTMJSA-N 1 2 282.388 0.449 20 30 CCEDLO Cc1nc(C(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000076281440 349077554 /nfs/dbraw/zinc/07/75/54/349077554.db2.gz LWMIEODMNNLHQI-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO CCC(=O)N1CCC[N@@H+](CC(=O)N(CC)CCC#N)CC1 ZINC000077391078 349108129 /nfs/dbraw/zinc/10/81/29/349108129.db2.gz ALCPGVWRYGKHGE-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO CCC(=O)N1CCC[N@H+](CC(=O)N(CC)CCC#N)CC1 ZINC000077391078 349108133 /nfs/dbraw/zinc/10/81/33/349108133.db2.gz ALCPGVWRYGKHGE-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO C[C@H](NC(=O)c1cc(C#N)cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000081750476 349282060 /nfs/dbraw/zinc/28/20/60/349282060.db2.gz TXHYTOUVJYPSQD-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000084715372 349325614 /nfs/dbraw/zinc/32/56/14/349325614.db2.gz MEORNAOAGHSCCK-CYBMUJFWSA-N 1 2 296.415 0.757 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000121166052 350025183 /nfs/dbraw/zinc/02/51/83/350025183.db2.gz QPJQFBIIGXFKTE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000121166052 350025184 /nfs/dbraw/zinc/02/51/84/350025184.db2.gz QPJQFBIIGXFKTE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)COC1CCOCC1 ZINC000122247341 350063118 /nfs/dbraw/zinc/06/31/18/350063118.db2.gz ANEOBRFXUUOLAQ-CYBMUJFWSA-N 1 2 286.372 0.405 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COC1CCOCC1 ZINC000122247341 350063120 /nfs/dbraw/zinc/06/31/20/350063120.db2.gz ANEOBRFXUUOLAQ-CYBMUJFWSA-N 1 2 286.372 0.405 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)o1 ZINC000271253660 191030626 /nfs/dbraw/zinc/03/06/26/191030626.db2.gz JAEASRRCDRAXAQ-UHFFFAOYSA-N 1 2 290.352 0.907 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000133427065 350335287 /nfs/dbraw/zinc/33/52/87/350335287.db2.gz GOPVTBVEMWPGET-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000133427065 350335289 /nfs/dbraw/zinc/33/52/89/350335289.db2.gz GOPVTBVEMWPGET-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(O)CC2)c1 ZINC000147397516 350468627 /nfs/dbraw/zinc/46/86/27/350468627.db2.gz AKERQFGJRUTHPI-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000603098322 362962193 /nfs/dbraw/zinc/96/21/93/362962193.db2.gz NTXPHVHINGPURT-RYUDHWBXSA-N 1 2 275.356 0.407 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000162798095 350754183 /nfs/dbraw/zinc/75/41/83/350754183.db2.gz AULXVLMFCJLGOJ-UHFFFAOYSA-N 1 2 290.298 0.410 20 30 CCEDLO C[C@@]1(O)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002017 351256715 /nfs/dbraw/zinc/25/67/15/351256715.db2.gz JGARESQMBRSACQ-CQSZACIVSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@@]1(O)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002017 351256719 /nfs/dbraw/zinc/25/67/19/351256719.db2.gz JGARESQMBRSACQ-CQSZACIVSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185119206 351432561 /nfs/dbraw/zinc/43/25/61/351432561.db2.gz OTUGPKDNGCBGNW-KRDDEPHXSA-N 1 2 285.413 0.494 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185119206 351432565 /nfs/dbraw/zinc/43/25/65/351432565.db2.gz OTUGPKDNGCBGNW-KRDDEPHXSA-N 1 2 285.413 0.494 20 30 CCEDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C#N)n(C)c1 ZINC000191424031 351756946 /nfs/dbraw/zinc/75/69/46/351756946.db2.gz YNQVPJFCDCARGV-UHFFFAOYSA-N 1 2 269.370 0.763 20 30 CCEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C#N)n(C)c1 ZINC000191424031 351756949 /nfs/dbraw/zinc/75/69/49/351756949.db2.gz YNQVPJFCDCARGV-UHFFFAOYSA-N 1 2 269.370 0.763 20 30 CCEDLO CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603397018 363109320 /nfs/dbraw/zinc/10/93/20/363109320.db2.gz NVOKYZAWNDHCMJ-NEPJUHHUSA-N 1 2 282.369 0.837 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000245746491 352335963 /nfs/dbraw/zinc/33/59/63/352335963.db2.gz WUUGUWFKCFFOSD-QWHCGFSZSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000245746491 352335967 /nfs/dbraw/zinc/33/59/67/352335967.db2.gz WUUGUWFKCFFOSD-QWHCGFSZSA-N 1 2 250.273 0.625 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000604436764 363196363 /nfs/dbraw/zinc/19/63/63/363196363.db2.gz LYRPKQHBRPIMQU-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000274030761 353114091 /nfs/dbraw/zinc/11/40/91/353114091.db2.gz MKQOWOZKVOYZFG-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277479804 353245910 /nfs/dbraw/zinc/24/59/10/353245910.db2.gz NYKVJGXOMRXPRC-DJJJIMSYSA-N 1 2 284.425 0.887 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277479804 353245911 /nfs/dbraw/zinc/24/59/11/353245911.db2.gz NYKVJGXOMRXPRC-DJJJIMSYSA-N 1 2 284.425 0.887 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NC)n1 ZINC000279752418 353313666 /nfs/dbraw/zinc/31/36/66/353313666.db2.gz QGGRNEORLSSFIC-NSHDSACASA-N 1 2 291.355 0.182 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NC)n1 ZINC000279752418 353313668 /nfs/dbraw/zinc/31/36/68/353313668.db2.gz QGGRNEORLSSFIC-NSHDSACASA-N 1 2 291.355 0.182 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCOCC2)n1 ZINC000279826656 353317837 /nfs/dbraw/zinc/31/78/37/353317837.db2.gz ZBZRDJHVLMFJFM-UHFFFAOYSA-N 1 2 276.384 0.670 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCOCC2)n1 ZINC000279826656 353317839 /nfs/dbraw/zinc/31/78/39/353317839.db2.gz ZBZRDJHVLMFJFM-UHFFFAOYSA-N 1 2 276.384 0.670 20 30 CCEDLO C#CCn1ccc(CN(CC)CC[NH+]2CCOCC2)n1 ZINC000279826656 353317842 /nfs/dbraw/zinc/31/78/42/353317842.db2.gz ZBZRDJHVLMFJFM-UHFFFAOYSA-N 1 2 276.384 0.670 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000282388935 353419041 /nfs/dbraw/zinc/41/90/41/353419041.db2.gz XIHVCEQRTOGXHE-LLVKDONJSA-N 1 2 297.384 0.562 20 30 CCEDLO CC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290185407 353713151 /nfs/dbraw/zinc/71/31/51/353713151.db2.gz FPFNSZWRIQQNJW-UHFFFAOYSA-N 1 2 283.353 0.041 20 30 CCEDLO CC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290185407 353713154 /nfs/dbraw/zinc/71/31/54/353713154.db2.gz FPFNSZWRIQQNJW-UHFFFAOYSA-N 1 2 283.353 0.041 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000308172707 354182594 /nfs/dbraw/zinc/18/25/94/354182594.db2.gz WCPLKKZJVGXXKD-LBPRGKRZSA-N 1 2 272.356 0.322 20 30 CCEDLO COc1ncccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329936322 354275159 /nfs/dbraw/zinc/27/51/59/354275159.db2.gz KZIKFDHXLCOTSB-VXGBXAGGSA-N 1 2 292.339 0.651 20 30 CCEDLO COc1ncccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329936322 354275164 /nfs/dbraw/zinc/27/51/64/354275164.db2.gz KZIKFDHXLCOTSB-VXGBXAGGSA-N 1 2 292.339 0.651 20 30 CCEDLO N#Cc1cc(F)cc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000336834552 355207376 /nfs/dbraw/zinc/20/73/76/355207376.db2.gz IDHAPWMRBALOTJ-CYBMUJFWSA-N 1 2 280.299 0.769 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000338339730 355325735 /nfs/dbraw/zinc/32/57/35/355325735.db2.gz DIFLSKOLMACRJH-WOPDTQHZSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000338339730 355325739 /nfs/dbraw/zinc/32/57/39/355325739.db2.gz DIFLSKOLMACRJH-WOPDTQHZSA-N 1 2 282.340 0.036 20 30 CCEDLO Cc1cc(NCCCCS(C)(=O)=O)c(C#N)c[nH+]1 ZINC000425265784 235278718 /nfs/dbraw/zinc/27/87/18/235278718.db2.gz XDZUKJZKAMMIGW-UHFFFAOYSA-N 1 2 267.354 0.920 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncncc1C#N ZINC000516966695 291068455 /nfs/dbraw/zinc/06/84/55/291068455.db2.gz AGSCOYMGLIMTCR-WCQYABFASA-N 1 2 273.340 0.648 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425220636 235274639 /nfs/dbraw/zinc/27/46/39/235274639.db2.gz CQRRZFJGLFBTQC-JTQLQIEISA-N 1 2 267.354 0.919 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000343501060 355771637 /nfs/dbraw/zinc/77/16/37/355771637.db2.gz BLMHFTSIATZFGD-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000345460880 355830988 /nfs/dbraw/zinc/83/09/88/355830988.db2.gz SHEURQSDFPVXFN-GFCCVEGCSA-N 1 2 298.362 0.744 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000345460880 355830991 /nfs/dbraw/zinc/83/09/91/355830991.db2.gz SHEURQSDFPVXFN-GFCCVEGCSA-N 1 2 298.362 0.744 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nccnc2C#N)C1 ZINC000353877163 356308447 /nfs/dbraw/zinc/30/84/47/356308447.db2.gz UVHQOUAIIBJACT-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nccnc2C#N)C1 ZINC000353877163 356308453 /nfs/dbraw/zinc/30/84/53/356308453.db2.gz UVHQOUAIIBJACT-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273748764 192290286 /nfs/dbraw/zinc/29/02/86/192290286.db2.gz WUSVCLGVERKIFV-JGVFFNPUSA-N 1 2 297.384 0.897 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639123 412635340 /nfs/dbraw/zinc/63/53/40/412635340.db2.gz NOXIXYIRXHWTDS-RWMBFGLXSA-N 1 2 290.429 0.980 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639123 412635347 /nfs/dbraw/zinc/63/53/47/412635347.db2.gz NOXIXYIRXHWTDS-RWMBFGLXSA-N 1 2 290.429 0.980 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000355067415 356565406 /nfs/dbraw/zinc/56/54/06/356565406.db2.gz KFTAPIGBXZXZNQ-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000355067415 356565408 /nfs/dbraw/zinc/56/54/08/356565408.db2.gz KFTAPIGBXZXZNQ-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000609345644 363492382 /nfs/dbraw/zinc/49/23/82/363492382.db2.gz HWCVQZYAHUURBI-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)CCO1 ZINC000609345644 363492389 /nfs/dbraw/zinc/49/23/89/363492389.db2.gz HWCVQZYAHUURBI-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000610213477 363542004 /nfs/dbraw/zinc/54/20/04/363542004.db2.gz RCHTVKRLMJQKKG-GFCCVEGCSA-N 1 2 282.388 0.405 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000610213477 363542010 /nfs/dbraw/zinc/54/20/10/363542010.db2.gz RCHTVKRLMJQKKG-GFCCVEGCSA-N 1 2 282.388 0.405 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000619717177 366333722 /nfs/dbraw/zinc/33/37/22/366333722.db2.gz FLINTRANVGRCJX-QWRGUYRKSA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000619717177 366333731 /nfs/dbraw/zinc/33/37/31/366333731.db2.gz FLINTRANVGRCJX-QWRGUYRKSA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000619717061 366334417 /nfs/dbraw/zinc/33/44/17/366334417.db2.gz PQCBCNLKDHSLDV-NEPJUHHUSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000619717061 366334425 /nfs/dbraw/zinc/33/44/25/366334425.db2.gz PQCBCNLKDHSLDV-NEPJUHHUSA-N 1 2 268.357 0.952 20 30 CCEDLO Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc[nH+]1 ZINC000360244539 356976439 /nfs/dbraw/zinc/97/64/39/356976439.db2.gz CJVHPZGWPYGHQG-SECBINFHSA-N 1 2 256.269 0.475 20 30 CCEDLO COCCN(CCC#N)C(=O)CCn1cc[nH+]c1 ZINC000385932481 357728539 /nfs/dbraw/zinc/72/85/39/357728539.db2.gz KYRUVZIGZSQKCZ-UHFFFAOYSA-N 1 2 250.302 0.662 20 30 CCEDLO Cc1ccnc(N2CCC[N@H+](CC(N)=O)CC2)c1C#N ZINC000378652288 357699300 /nfs/dbraw/zinc/69/93/00/357699300.db2.gz PVMBCKAZNVVVFE-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO Cc1ccnc(N2CCC[N@@H+](CC(N)=O)CC2)c1C#N ZINC000378652288 357699302 /nfs/dbraw/zinc/69/93/02/357699302.db2.gz PVMBCKAZNVVVFE-UHFFFAOYSA-N 1 2 273.340 0.259 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)n(C)n2)CC1 ZINC000487401968 358285588 /nfs/dbraw/zinc/28/55/88/358285588.db2.gz FIYXTJSRNZRGLK-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO C[C@H](C(=O)N1CCC(CC#N)CC1)[NH+]1CCN(C)CC1 ZINC000543840636 358548822 /nfs/dbraw/zinc/54/88/22/358548822.db2.gz XBDUPLNTBFKYJK-CYBMUJFWSA-N 1 2 278.400 0.775 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000620237146 366470418 /nfs/dbraw/zinc/47/04/18/366470418.db2.gz YZGISLOFFWIYEE-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCCOCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000620237146 366470422 /nfs/dbraw/zinc/47/04/22/366470422.db2.gz YZGISLOFFWIYEE-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccncc2C#N)C1 ZINC000570322648 358845223 /nfs/dbraw/zinc/84/52/23/358845223.db2.gz FYHHVQRNDBNEDF-LBPRGKRZSA-N 1 2 288.351 0.672 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccncc2C#N)C1 ZINC000570322648 358845232 /nfs/dbraw/zinc/84/52/32/358845232.db2.gz FYHHVQRNDBNEDF-LBPRGKRZSA-N 1 2 288.351 0.672 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573339986 358959154 /nfs/dbraw/zinc/95/91/54/358959154.db2.gz BHBDJKUPHSZGPJ-LLVKDONJSA-N 1 2 297.384 0.466 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610994739 363645479 /nfs/dbraw/zinc/64/54/79/363645479.db2.gz PBVOLSDWBJJEKS-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000588120793 359313995 /nfs/dbraw/zinc/31/39/95/359313995.db2.gz WRDVEJKKACFJHK-JTQLQIEISA-N 1 2 283.353 0.866 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000588120793 359314000 /nfs/dbraw/zinc/31/40/00/359314000.db2.gz WRDVEJKKACFJHK-JTQLQIEISA-N 1 2 283.353 0.866 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)C(=O)OC ZINC000588978479 359355808 /nfs/dbraw/zinc/35/58/08/359355808.db2.gz VLOOABJNEYPQGI-XDQVBPFNSA-N 1 2 280.368 0.951 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000589448804 359382406 /nfs/dbraw/zinc/38/24/06/359382406.db2.gz PEONASSMDGAMCU-ZDUSSCGKSA-N 1 2 286.335 0.500 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589406422 359380572 /nfs/dbraw/zinc/38/05/72/359380572.db2.gz NJLRKBWAXGLQII-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000590121336 359425582 /nfs/dbraw/zinc/42/55/82/359425582.db2.gz FFHRJVKXRRDWHJ-UHFFFAOYSA-N 1 2 286.295 0.439 20 30 CCEDLO N#Cc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000297375935 200168497 /nfs/dbraw/zinc/16/84/97/200168497.db2.gz DAFGOAJNQSFGRM-LLVKDONJSA-N 1 2 288.311 0.273 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000591973959 359716355 /nfs/dbraw/zinc/71/63/55/359716355.db2.gz LJPBEQLDEGHTDL-CYBMUJFWSA-N 1 2 259.313 0.906 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000591973959 359716356 /nfs/dbraw/zinc/71/63/56/359716356.db2.gz LJPBEQLDEGHTDL-CYBMUJFWSA-N 1 2 259.313 0.906 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000592085787 359752041 /nfs/dbraw/zinc/75/20/41/359752041.db2.gz FNDSVFBTSYGRJN-UHFFFAOYSA-N 1 2 294.380 0.454 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000592149901 359769406 /nfs/dbraw/zinc/76/94/06/359769406.db2.gz ZJSXSPILWBNSOV-GXTWGEPZSA-N 1 2 259.309 0.563 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000592149901 359769409 /nfs/dbraw/zinc/76/94/09/359769409.db2.gz ZJSXSPILWBNSOV-GXTWGEPZSA-N 1 2 259.309 0.563 20 30 CCEDLO CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149962 359769708 /nfs/dbraw/zinc/76/97/08/359769708.db2.gz AFFPZKULKUCOOH-OAHLLOKOSA-N 1 2 297.399 0.516 20 30 CCEDLO CC(C)CCOCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149962 359769710 /nfs/dbraw/zinc/76/97/10/359769710.db2.gz AFFPZKULKUCOOH-OAHLLOKOSA-N 1 2 297.399 0.516 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(CCC#N)CC1 ZINC000611173766 363670497 /nfs/dbraw/zinc/67/04/97/363670497.db2.gz JQXSPVHRJRZIQN-LBPRGKRZSA-N 1 2 266.389 0.821 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@](F)(CO)C3)cnc12 ZINC000592510130 359867072 /nfs/dbraw/zinc/86/70/72/359867072.db2.gz WPGLEAAVKPDUPA-CYBMUJFWSA-N 1 2 275.287 0.507 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@](F)(CO)C3)cnc12 ZINC000592510130 359867074 /nfs/dbraw/zinc/86/70/74/359867074.db2.gz WPGLEAAVKPDUPA-CYBMUJFWSA-N 1 2 275.287 0.507 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000611237620 363691220 /nfs/dbraw/zinc/69/12/20/363691220.db2.gz QEAUDTZSSWTGQY-ZYHUDNBSSA-N 1 2 254.330 0.925 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000611237620 363691223 /nfs/dbraw/zinc/69/12/23/363691223.db2.gz QEAUDTZSSWTGQY-ZYHUDNBSSA-N 1 2 254.330 0.925 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000592848426 359953528 /nfs/dbraw/zinc/95/35/28/359953528.db2.gz WTWNRLDOJVFRJG-AWEZNQCLSA-N 1 2 293.367 0.118 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000593000262 360011455 /nfs/dbraw/zinc/01/14/55/360011455.db2.gz JZSQJNGRWVYVSY-INIZCTEOSA-N 1 2 298.390 0.954 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2ncncc2C1 ZINC000593153634 360048856 /nfs/dbraw/zinc/04/88/56/360048856.db2.gz YHQPMXBMFZWZRK-XHDPSFHLSA-N 1 2 287.367 0.542 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CCCCC1 ZINC000593095759 360034654 /nfs/dbraw/zinc/03/46/54/360034654.db2.gz SSHQXYOKAHXCQI-JOOBJXAISA-N 1 2 295.408 0.534 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CCCCC1 ZINC000593095759 360034657 /nfs/dbraw/zinc/03/46/57/360034657.db2.gz SSHQXYOKAHXCQI-JOOBJXAISA-N 1 2 295.408 0.534 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000594009489 360234835 /nfs/dbraw/zinc/23/48/35/360234835.db2.gz WEVULCLOLQIGIL-CHWSQXEVSA-N 1 2 294.399 0.785 20 30 CCEDLO Cc1cnc(OC2CC[NH+](CC(=O)NCC#N)CC2)nc1 ZINC000594021178 360236893 /nfs/dbraw/zinc/23/68/93/360236893.db2.gz PIMZHESRDGRAHM-UHFFFAOYSA-N 1 2 289.339 0.268 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)c([N+](=O)[O-])c1 ZINC000594037645 360239570 /nfs/dbraw/zinc/23/95/70/360239570.db2.gz PDPWICKFJRSJOL-ZDUSSCGKSA-N 1 2 290.279 0.200 20 30 CCEDLO N#CCCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000594326015 360275163 /nfs/dbraw/zinc/27/51/63/360275163.db2.gz LQCJNAMXVGQAME-UHFFFAOYSA-N 1 2 266.345 0.008 20 30 CCEDLO N#CCCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000594326015 360275169 /nfs/dbraw/zinc/27/51/69/360275169.db2.gz LQCJNAMXVGQAME-UHFFFAOYSA-N 1 2 266.345 0.008 20 30 CCEDLO N#Cc1cccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000594650816 360349565 /nfs/dbraw/zinc/34/95/65/360349565.db2.gz DQNWCEBZNYLGOD-ZDUSSCGKSA-N 1 2 255.281 0.800 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382304 360513891 /nfs/dbraw/zinc/51/38/91/360513891.db2.gz FBDSVVCHKOVPRA-ZJUUUORDSA-N 1 2 285.373 0.407 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000595388156 360515959 /nfs/dbraw/zinc/51/59/59/360515959.db2.gz GWOFKPAZRKYHDZ-SNVBAGLBSA-N 1 2 264.329 0.504 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000595388156 360515964 /nfs/dbraw/zinc/51/59/64/360515964.db2.gz GWOFKPAZRKYHDZ-SNVBAGLBSA-N 1 2 264.329 0.504 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000595388155 360516908 /nfs/dbraw/zinc/51/69/08/360516908.db2.gz GWOFKPAZRKYHDZ-JTQLQIEISA-N 1 2 264.329 0.504 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000595388155 360516909 /nfs/dbraw/zinc/51/69/09/360516909.db2.gz GWOFKPAZRKYHDZ-JTQLQIEISA-N 1 2 264.329 0.504 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595511658 360556899 /nfs/dbraw/zinc/55/68/99/360556899.db2.gz IUPNOMBUPKZEIZ-SNVBAGLBSA-N 1 2 273.283 0.468 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547778 360576007 /nfs/dbraw/zinc/57/60/07/360576007.db2.gz RWRDXGJGDHANMA-RNCFNFMXSA-N 1 2 295.343 0.650 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547778 360576009 /nfs/dbraw/zinc/57/60/09/360576009.db2.gz RWRDXGJGDHANMA-RNCFNFMXSA-N 1 2 295.343 0.650 20 30 CCEDLO N#CC1(NC(=O)CN2CCn3c[nH+]cc3C2)CCC1 ZINC000595491616 360549778 /nfs/dbraw/zinc/54/97/78/360549778.db2.gz SLXKJMVGBFWOLS-UHFFFAOYSA-N 1 2 259.313 0.261 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595591404 360591302 /nfs/dbraw/zinc/59/13/02/360591302.db2.gz GUPGUJBPCPDUFG-JTQLQIEISA-N 1 2 261.329 0.792 20 30 CCEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1c[nH+]c[nH]1 ZINC000595596797 360592114 /nfs/dbraw/zinc/59/21/14/360592114.db2.gz NNXUFWQERRWMKD-ZDUSSCGKSA-N 1 2 261.329 0.650 20 30 CCEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1c[nH]c[nH+]1 ZINC000595596797 360592118 /nfs/dbraw/zinc/59/21/18/360592118.db2.gz NNXUFWQERRWMKD-ZDUSSCGKSA-N 1 2 261.329 0.650 20 30 CCEDLO COC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595623982 360601539 /nfs/dbraw/zinc/60/15/39/360601539.db2.gz ZXGVCKDONJHHCL-NSHDSACASA-N 1 2 277.328 0.577 20 30 CCEDLO COC(=O)Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595623982 360601546 /nfs/dbraw/zinc/60/15/46/360601546.db2.gz ZXGVCKDONJHHCL-NSHDSACASA-N 1 2 277.328 0.577 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC(CO)(CO)C1 ZINC000595809273 360663824 /nfs/dbraw/zinc/66/38/24/360663824.db2.gz YWUADGGOUXGNOJ-UHFFFAOYSA-N 1 2 291.307 0.643 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595809273 360663830 /nfs/dbraw/zinc/66/38/30/360663830.db2.gz YWUADGGOUXGNOJ-UHFFFAOYSA-N 1 2 291.307 0.643 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595829402 360670189 /nfs/dbraw/zinc/67/01/89/360670189.db2.gz QEALIEWTGVFVEH-NEPJUHHUSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595829402 360670192 /nfs/dbraw/zinc/67/01/92/360670192.db2.gz QEALIEWTGVFVEH-NEPJUHHUSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595829407 360671885 /nfs/dbraw/zinc/67/18/85/360671885.db2.gz QEALIEWTGVFVEH-VXGBXAGGSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595829407 360671886 /nfs/dbraw/zinc/67/18/86/360671886.db2.gz QEALIEWTGVFVEH-VXGBXAGGSA-N 1 2 266.341 0.658 20 30 CCEDLO C=CCNC(=O)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596183667 360826641 /nfs/dbraw/zinc/82/66/41/360826641.db2.gz NNVJAQFKFSITAR-UHFFFAOYSA-N 1 2 263.297 0.511 20 30 CCEDLO COC(=O)Cc1cc[nH+]c(N2CC[C@@](O)(CC#N)C2)c1 ZINC000596289233 360870552 /nfs/dbraw/zinc/87/05/52/360870552.db2.gz ZHIZNXHSVAPLJY-AWEZNQCLSA-N 1 2 275.308 0.652 20 30 CCEDLO Cc1cc(NC[C@]2(OCCO)CCOC2)c(C#N)c[nH+]1 ZINC000596432798 360893218 /nfs/dbraw/zinc/89/32/18/360893218.db2.gz SPADAAWGTBDNMV-CQSZACIVSA-N 1 2 277.324 0.264 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)[C@H](C)CO1 ZINC000596452765 360899452 /nfs/dbraw/zinc/89/94/52/360899452.db2.gz GAHWRQXZFWBMDT-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)[C@H](C)CO1 ZINC000596452765 360899454 /nfs/dbraw/zinc/89/94/54/360899454.db2.gz GAHWRQXZFWBMDT-VXGBXAGGSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000597178628 361025405 /nfs/dbraw/zinc/02/54/05/361025405.db2.gz MLHAKKKMMZLCRO-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C(N)=O)O1 ZINC000180643929 189267645 /nfs/dbraw/zinc/26/76/45/189267645.db2.gz VQKWSJQWOUMRGP-LDYMZIIASA-N 1 2 265.338 0.694 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C(N)=O)O1 ZINC000180643929 189267646 /nfs/dbraw/zinc/26/76/46/189267646.db2.gz VQKWSJQWOUMRGP-LDYMZIIASA-N 1 2 265.338 0.694 20 30 CCEDLO COCCOC1C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598702715 361491464 /nfs/dbraw/zinc/49/14/64/361491464.db2.gz YHTGMYNZFDXNQR-NSHDSACASA-N 1 2 256.346 0.634 20 30 CCEDLO COCCN1CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598602053 361456791 /nfs/dbraw/zinc/45/67/91/361456791.db2.gz ZSRRIEXTICXAQL-GFCCVEGCSA-N 1 2 283.372 0.078 20 30 CCEDLO COCCN1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598602053 361456793 /nfs/dbraw/zinc/45/67/93/361456793.db2.gz ZSRRIEXTICXAQL-GFCCVEGCSA-N 1 2 283.372 0.078 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCc3cnc(N)nc3C2)ccn1 ZINC000598949741 361540144 /nfs/dbraw/zinc/54/01/44/361540144.db2.gz NJCRUPQLTLOZML-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCc3cnc(N)nc3C2)ccn1 ZINC000598949741 361540149 /nfs/dbraw/zinc/54/01/49/361540149.db2.gz NJCRUPQLTLOZML-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000598964615 361542308 /nfs/dbraw/zinc/54/23/08/361542308.db2.gz JCMLIPZXYNGYBW-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000598964615 361542316 /nfs/dbraw/zinc/54/23/16/361542316.db2.gz JCMLIPZXYNGYBW-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000599161130 361592793 /nfs/dbraw/zinc/59/27/93/361592793.db2.gz SZZVNRWYUDFFHP-VIFPVBQESA-N 1 2 266.732 0.771 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000599161130 361592795 /nfs/dbraw/zinc/59/27/95/361592795.db2.gz SZZVNRWYUDFFHP-VIFPVBQESA-N 1 2 266.732 0.771 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599357521 361667875 /nfs/dbraw/zinc/66/78/75/361667875.db2.gz RBGYRUSGNSMMDM-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599357521 361667880 /nfs/dbraw/zinc/66/78/80/361667880.db2.gz RBGYRUSGNSMMDM-CQSZACIVSA-N 1 2 273.336 0.814 20 30 CCEDLO N#Cc1ccc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000564694736 291294060 /nfs/dbraw/zinc/29/40/60/291294060.db2.gz HTBYFFTWWSQILU-UHFFFAOYSA-N 1 2 296.334 0.499 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)OCC ZINC000614503010 364632804 /nfs/dbraw/zinc/63/28/04/364632804.db2.gz MUTRUJSHFAHRHU-HUUCEWRRSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)OCC ZINC000614503010 364632806 /nfs/dbraw/zinc/63/28/06/364632806.db2.gz MUTRUJSHFAHRHU-HUUCEWRRSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C[C@@H](O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614968416 364797549 /nfs/dbraw/zinc/79/75/49/364797549.db2.gz JUYFDQULISDUSF-SNVBAGLBSA-N 1 2 262.300 0.627 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039805 364826865 /nfs/dbraw/zinc/82/68/65/364826865.db2.gz RVSFGWQNNYFSON-ZDUSSCGKSA-N 1 2 276.340 0.696 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000615825976 365098708 /nfs/dbraw/zinc/09/87/08/365098708.db2.gz QAJHRZBAYHUCHN-CYBMUJFWSA-N 1 2 286.270 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615847659 365105510 /nfs/dbraw/zinc/10/55/10/365105510.db2.gz BNKPZOYWCRHKMR-XWIASGKRSA-N 1 2 261.325 0.974 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615847659 365105519 /nfs/dbraw/zinc/10/55/19/365105519.db2.gz BNKPZOYWCRHKMR-XWIASGKRSA-N 1 2 261.325 0.974 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c(F)c1 ZINC000330616760 203042101 /nfs/dbraw/zinc/04/21/01/203042101.db2.gz VTJKVNPDXAVHIE-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(F)c1 ZINC000330616760 203042103 /nfs/dbraw/zinc/04/21/03/203042103.db2.gz VTJKVNPDXAVHIE-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1F ZINC000330833655 203292005 /nfs/dbraw/zinc/29/20/05/203292005.db2.gz KOKKGIRUSVFZKM-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1F ZINC000330833655 203292008 /nfs/dbraw/zinc/29/20/08/203292008.db2.gz KOKKGIRUSVFZKM-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc(C(C)C)n2)nn1 ZINC000630602088 370201809 /nfs/dbraw/zinc/20/18/09/370201809.db2.gz RHMLMDFGCOQDIK-UHFFFAOYSA-N 1 2 274.328 0.946 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632344554 370997579 /nfs/dbraw/zinc/99/75/79/370997579.db2.gz GLOQEHKKYCYUGO-UHFFFAOYSA-N 1 2 262.313 0.569 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)N(C)C ZINC000302587993 261262594 /nfs/dbraw/zinc/26/25/94/261262594.db2.gz FSMGHSUVJGVGHG-LBPRGKRZSA-N 1 2 294.399 0.738 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304775 372007996 /nfs/dbraw/zinc/00/79/96/372007996.db2.gz UDWOHEUFAGWAFD-GFCCVEGCSA-N 1 2 293.392 0.798 20 30 CCEDLO C=CCn1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000656445444 412797974 /nfs/dbraw/zinc/79/79/74/412797974.db2.gz HZGGAKBOKKFVQO-UHFFFAOYSA-N 1 2 288.355 0.541 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C(COC)COC)nn1 ZINC000656458251 412803967 /nfs/dbraw/zinc/80/39/67/412803967.db2.gz RYXYJGBDWKUFTQ-UHFFFAOYSA-N 1 2 252.318 0.225 20 30 CCEDLO C=CCOCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637275232 374065805 /nfs/dbraw/zinc/06/58/05/374065805.db2.gz NRVWAZRTAVSHCK-LLVKDONJSA-N 1 2 264.329 0.700 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329223906 227362279 /nfs/dbraw/zinc/36/22/79/227362279.db2.gz YTSCWEPVJAKEJU-NSHDSACASA-N 1 2 280.376 0.475 20 30 CCEDLO CCn1nccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329223906 227362282 /nfs/dbraw/zinc/36/22/82/227362282.db2.gz YTSCWEPVJAKEJU-NSHDSACASA-N 1 2 280.376 0.475 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000329117359 288609579 /nfs/dbraw/zinc/60/95/79/288609579.db2.gz UMJCFGQKCQNJCP-MCIONIFRSA-N 1 2 297.399 0.874 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000263782765 190078568 /nfs/dbraw/zinc/07/85/68/190078568.db2.gz LYUHRWXBZKOVRZ-UHFFFAOYSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000263782765 190078569 /nfs/dbraw/zinc/07/85/69/190078569.db2.gz LYUHRWXBZKOVRZ-UHFFFAOYSA-N 1 2 265.357 0.397 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2noc(CC)n2)nn1 ZINC000640934505 376624469 /nfs/dbraw/zinc/62/44/69/376624469.db2.gz ZIZBAVBFAURUEQ-UHFFFAOYSA-N 1 2 260.301 0.385 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2cc(C)cn2)nn1 ZINC000641097999 376779746 /nfs/dbraw/zinc/77/97/46/376779746.db2.gz RMSPYFVBLHJFDK-UHFFFAOYSA-N 1 2 258.329 0.596 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657089435 412885700 /nfs/dbraw/zinc/88/57/00/412885700.db2.gz KGGYNRRPOJGVFH-QWHCGFSZSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000657089435 412885702 /nfs/dbraw/zinc/88/57/02/412885702.db2.gz KGGYNRRPOJGVFH-QWHCGFSZSA-N 1 2 290.429 0.981 20 30 CCEDLO Cc1cc(NCCS(=O)(=O)NC(C)(C)C)c(C#N)c[nH+]1 ZINC000570083750 291731520 /nfs/dbraw/zinc/73/15/20/291731520.db2.gz DCGJFEXSAQDUNP-UHFFFAOYSA-N 1 2 296.396 0.813 20 30 CCEDLO Cc1nn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1C ZINC000574771945 335046736 /nfs/dbraw/zinc/04/67/36/335046736.db2.gz ZZANAWVSROMZRJ-PHIMTYICSA-N 1 2 290.367 0.841 20 30 CCEDLO Cc1nn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1C ZINC000574771945 335046737 /nfs/dbraw/zinc/04/67/37/335046737.db2.gz ZZANAWVSROMZRJ-PHIMTYICSA-N 1 2 290.367 0.841 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000289375802 197319193 /nfs/dbraw/zinc/31/91/93/197319193.db2.gz BCRIXIWHHOJKOQ-UHFFFAOYSA-N 1 2 280.353 0.279 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)NCC2CC2)nn1 ZINC000657430834 412989731 /nfs/dbraw/zinc/98/97/31/412989731.db2.gz TUBHCLJRCBGSKP-UHFFFAOYSA-N 1 2 263.345 0.470 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n(C)n1 ZINC000329232961 227368945 /nfs/dbraw/zinc/36/89/45/227368945.db2.gz LPVIFTZKZBTOIP-LLVKDONJSA-N 1 2 280.376 0.300 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n(C)n1 ZINC000329232961 227368949 /nfs/dbraw/zinc/36/89/49/227368949.db2.gz LPVIFTZKZBTOIP-LLVKDONJSA-N 1 2 280.376 0.300 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331429494 533172901 /nfs/dbraw/zinc/17/29/01/533172901.db2.gz GGMQQLQUDURTKP-AAEUAGOBSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331429494 533172904 /nfs/dbraw/zinc/17/29/04/533172904.db2.gz GGMQQLQUDURTKP-AAEUAGOBSA-N 1 2 265.357 0.858 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000332486196 260013199 /nfs/dbraw/zinc/01/31/99/260013199.db2.gz PPFBUIFXUIMDCY-JTQLQIEISA-N 1 2 254.334 0.845 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000332486196 260013201 /nfs/dbraw/zinc/01/32/01/260013201.db2.gz PPFBUIFXUIMDCY-JTQLQIEISA-N 1 2 254.334 0.845 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284285244 388774454 /nfs/dbraw/zinc/77/44/54/388774454.db2.gz NPZXPQPLFSQDKO-GHMZBOCLSA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284285244 388774456 /nfs/dbraw/zinc/77/44/56/388774456.db2.gz NPZXPQPLFSQDKO-GHMZBOCLSA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284285251 388774920 /nfs/dbraw/zinc/77/49/20/388774920.db2.gz NPZXPQPLFSQDKO-QWRGUYRKSA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284285251 388774922 /nfs/dbraw/zinc/77/49/22/388774922.db2.gz NPZXPQPLFSQDKO-QWRGUYRKSA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286715966 388845144 /nfs/dbraw/zinc/84/51/44/388845144.db2.gz ZQLOHFXNPVWWAN-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cnn2C)C1=O ZINC000289490253 388870671 /nfs/dbraw/zinc/87/06/71/388870671.db2.gz BLMBTNADINXKDJ-GFCCVEGCSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)cnn2C)C1=O ZINC000289490253 388870674 /nfs/dbraw/zinc/87/06/74/388870674.db2.gz BLMBTNADINXKDJ-GFCCVEGCSA-N 1 2 262.357 0.947 20 30 CCEDLO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000289529253 388871174 /nfs/dbraw/zinc/87/11/74/388871174.db2.gz FCVCQYXMZVSPQX-UONOGXRCSA-N 1 2 259.305 0.776 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000289529253 388871180 /nfs/dbraw/zinc/87/11/80/388871180.db2.gz FCVCQYXMZVSPQX-UONOGXRCSA-N 1 2 259.305 0.776 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286715964 388845404 /nfs/dbraw/zinc/84/54/04/388845404.db2.gz ZQLOHFXNPVWWAN-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000049000856 388913027 /nfs/dbraw/zinc/91/30/27/388913027.db2.gz SPPRCNNXZWWZLA-WOPDTQHZSA-N 1 2 280.372 0.190 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000049000856 388913029 /nfs/dbraw/zinc/91/30/29/388913029.db2.gz SPPRCNNXZWWZLA-WOPDTQHZSA-N 1 2 280.372 0.190 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000290941787 388915721 /nfs/dbraw/zinc/91/57/21/388915721.db2.gz FQMYDAUHKGFUSN-NSHDSACASA-N 1 2 274.324 0.989 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000291161193 388917996 /nfs/dbraw/zinc/91/79/96/388917996.db2.gz PZVXYZBJBGUBDK-SNVBAGLBSA-N 1 2 250.302 0.272 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000291161193 388917999 /nfs/dbraw/zinc/91/79/99/388917999.db2.gz PZVXYZBJBGUBDK-SNVBAGLBSA-N 1 2 250.302 0.272 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907124 388934289 /nfs/dbraw/zinc/93/42/89/388934289.db2.gz ZPWGYUKGZKCUFF-SNVBAGLBSA-N 1 2 282.344 0.083 20 30 CCEDLO N#Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)ccc1F ZINC000071140485 388956879 /nfs/dbraw/zinc/95/68/79/388956879.db2.gz IKFZFGFRMYYHEM-UHFFFAOYSA-N 1 2 294.311 0.872 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599029 388977964 /nfs/dbraw/zinc/97/79/64/388977964.db2.gz XPEXENXTWRPHDZ-CYBMUJFWSA-N 1 2 251.374 0.823 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000192229457 389029320 /nfs/dbraw/zinc/02/93/20/389029320.db2.gz JJIRGJFNNGWDQE-ZYHUDNBSSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000192229457 389029324 /nfs/dbraw/zinc/02/93/24/389029324.db2.gz JJIRGJFNNGWDQE-ZYHUDNBSSA-N 1 2 254.330 0.255 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](CO)O1 ZINC000191519474 389012748 /nfs/dbraw/zinc/01/27/48/389012748.db2.gz AAZJHVIWQDGCLF-BXUZGUMPSA-N 1 2 286.335 0.788 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000191892035 389019052 /nfs/dbraw/zinc/01/90/52/389019052.db2.gz CLQLAMFWKBHCFM-UHFFFAOYSA-N 1 2 293.411 0.803 20 30 CCEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2)CC1)NC1CC1 ZINC000191876390 389019772 /nfs/dbraw/zinc/01/97/72/389019772.db2.gz HAGODVMZIOLEOU-UHFFFAOYSA-N 1 2 297.402 0.934 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2[nH+]ccn2C(F)F)c1=O ZINC000298578515 389032440 /nfs/dbraw/zinc/03/24/40/389032440.db2.gz CUQUQJRDIVIXAB-UHFFFAOYSA-N 1 2 295.249 0.541 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C(C)(C)C(=O)OC)C1=O ZINC000337166689 389049310 /nfs/dbraw/zinc/04/93/10/389049310.db2.gz ZZJNQANLUNLIHG-SNVBAGLBSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C(C)(C)C(=O)OC)C1=O ZINC000337166689 389049313 /nfs/dbraw/zinc/04/93/13/389049313.db2.gz ZZJNQANLUNLIHG-SNVBAGLBSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)OCC)C1=O ZINC000337204830 389054953 /nfs/dbraw/zinc/05/49/53/389054953.db2.gz JFWVQRDKQVOMPE-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)OCC)C1=O ZINC000337204830 389054956 /nfs/dbraw/zinc/05/49/56/389054956.db2.gz JFWVQRDKQVOMPE-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)C(=O)[C@H]2CC)C1=O ZINC000337208142 389055951 /nfs/dbraw/zinc/05/59/51/389055951.db2.gz PZDIWJHLDFAFKF-OLZOCXBDSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)C(=O)[C@H]2CC)C1=O ZINC000337208142 389055955 /nfs/dbraw/zinc/05/59/55/389055955.db2.gz PZDIWJHLDFAFKF-OLZOCXBDSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)C(C)C)C1=O ZINC000337217299 389056105 /nfs/dbraw/zinc/05/61/05/389056105.db2.gz IGJGSUDJFSNEKT-GFCCVEGCSA-N 1 2 267.373 0.572 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)C(C)C)C1=O ZINC000337217299 389056107 /nfs/dbraw/zinc/05/61/07/389056107.db2.gz IGJGSUDJFSNEKT-GFCCVEGCSA-N 1 2 267.373 0.572 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337236243 389058094 /nfs/dbraw/zinc/05/80/94/389058094.db2.gz YABSHKPINPJNFT-CQSZACIVSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337236243 389058098 /nfs/dbraw/zinc/05/80/98/389058098.db2.gz YABSHKPINPJNFT-CQSZACIVSA-N 1 2 291.395 0.906 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC(=O)OC ZINC000298627313 389035542 /nfs/dbraw/zinc/03/55/42/389035542.db2.gz VLVURUDUNUVDAS-ZDUSSCGKSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC(=O)OC ZINC000298627313 389035545 /nfs/dbraw/zinc/03/55/45/389035545.db2.gz VLVURUDUNUVDAS-ZDUSSCGKSA-N 1 2 288.347 0.800 20 30 CCEDLO COC(=O)c1cc(CO[NH+]=C(N)CCO)oc1C ZINC000121308046 389147217 /nfs/dbraw/zinc/14/72/17/389147217.db2.gz FQPKREKLOICQOL-UHFFFAOYSA-N 1 2 256.258 0.546 20 30 CCEDLO CCN(C(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000121370067 389148327 /nfs/dbraw/zinc/14/83/27/389148327.db2.gz LEVAGLUZOHBOHO-UHFFFAOYSA-N 1 2 265.313 0.711 20 30 CCEDLO Cc1nnc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000112012735 389117168 /nfs/dbraw/zinc/11/71/68/389117168.db2.gz OUDAOPHJMJVVDF-LLVKDONJSA-N 1 2 261.329 0.708 20 30 CCEDLO Cc1nnc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000112012735 389117170 /nfs/dbraw/zinc/11/71/70/389117170.db2.gz OUDAOPHJMJVVDF-LLVKDONJSA-N 1 2 261.329 0.708 20 30 CCEDLO C=CCOCC[N@@H+](CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000339052919 389123453 /nfs/dbraw/zinc/12/34/53/389123453.db2.gz CALAMPLGISLYNQ-GFCCVEGCSA-N 1 2 277.386 0.325 20 30 CCEDLO C=CCOCC[N@H+](CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000339052919 389123455 /nfs/dbraw/zinc/12/34/55/389123455.db2.gz CALAMPLGISLYNQ-GFCCVEGCSA-N 1 2 277.386 0.325 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000339076933 389124009 /nfs/dbraw/zinc/12/40/09/389124009.db2.gz IQFYUZKSUQZUBP-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO C=CCOCC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000339076933 389124012 /nfs/dbraw/zinc/12/40/12/389124012.db2.gz IQFYUZKSUQZUBP-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO COCCC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339121193 389125667 /nfs/dbraw/zinc/12/56/67/389125667.db2.gz UQOGLMGOCMIUOK-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858530 389131808 /nfs/dbraw/zinc/13/18/08/389131808.db2.gz YRGVGOYTINWFPR-OCCSQVGLSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858530 389131809 /nfs/dbraw/zinc/13/18/09/389131809.db2.gz YRGVGOYTINWFPR-OCCSQVGLSA-N 1 2 282.384 0.947 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC2(C(F)F)CC2)C1 ZINC000328701677 389132465 /nfs/dbraw/zinc/13/24/65/389132465.db2.gz JGZBXBDQPCGFKU-MRVPVSSYSA-N 1 2 263.288 0.618 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NC2(C(F)F)CC2)C1 ZINC000328701677 389132470 /nfs/dbraw/zinc/13/24/70/389132470.db2.gz JGZBXBDQPCGFKU-MRVPVSSYSA-N 1 2 263.288 0.618 20 30 CCEDLO CN(CC1(O)CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000328732463 389134079 /nfs/dbraw/zinc/13/40/79/389134079.db2.gz XLHCCXKWTSWBEW-GFCCVEGCSA-N 1 2 285.388 0.468 20 30 CCEDLO CN(CC1(O)CCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000328732463 389134081 /nfs/dbraw/zinc/13/40/81/389134081.db2.gz XLHCCXKWTSWBEW-GFCCVEGCSA-N 1 2 285.388 0.468 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCCNC2=O)CCO1 ZINC000328730702 389134323 /nfs/dbraw/zinc/13/43/23/389134323.db2.gz GETPNCISRVTNGR-NSHDSACASA-N 1 2 298.387 0.720 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCCNC2=O)CCO1 ZINC000328730702 389134326 /nfs/dbraw/zinc/13/43/26/389134326.db2.gz GETPNCISRVTNGR-NSHDSACASA-N 1 2 298.387 0.720 20 30 CCEDLO O=C(NCC[NH+]1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000328733238 389135113 /nfs/dbraw/zinc/13/51/13/389135113.db2.gz XYNUETAGQOHYJR-LLVKDONJSA-N 1 2 263.345 0.996 20 30 CCEDLO C[C@@]1(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC000328863785 389142626 /nfs/dbraw/zinc/14/26/26/389142626.db2.gz MPPOUMWUZVUCQX-CQSZACIVSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@@]1(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC000328863785 389142628 /nfs/dbraw/zinc/14/26/28/389142628.db2.gz MPPOUMWUZVUCQX-CQSZACIVSA-N 1 2 285.388 0.780 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NC1CCOCC1 ZINC000329652770 389183077 /nfs/dbraw/zinc/18/30/77/389183077.db2.gz DLWCCYKZOJDBTD-CYBMUJFWSA-N 1 2 283.372 0.138 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NC1CCOCC1 ZINC000329652770 389183078 /nfs/dbraw/zinc/18/30/78/389183078.db2.gz DLWCCYKZOJDBTD-CYBMUJFWSA-N 1 2 283.372 0.138 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOC3)C[C@@H]21 ZINC000329708634 389191178 /nfs/dbraw/zinc/19/11/78/389191178.db2.gz MLZNLIIXBZTILO-SDDRHHMPSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOC3)C[C@@H]21 ZINC000329708634 389191180 /nfs/dbraw/zinc/19/11/80/389191180.db2.gz MLZNLIIXBZTILO-SDDRHHMPSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000360227775 389193890 /nfs/dbraw/zinc/19/38/90/389193890.db2.gz NKJJDOUMSIECPZ-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO CN1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1=O ZINC000329740361 389194850 /nfs/dbraw/zinc/19/48/50/389194850.db2.gz NZRWPKGEBCDVDA-UHFFFAOYSA-N 1 2 291.355 0.407 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329852125 389206246 /nfs/dbraw/zinc/20/62/46/389206246.db2.gz UKVVJZCYYBQEKB-NEPJUHHUSA-N 1 2 279.344 0.147 20 30 CCEDLO Cc1n[nH]cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329852125 389206249 /nfs/dbraw/zinc/20/62/49/389206249.db2.gz UKVVJZCYYBQEKB-NEPJUHHUSA-N 1 2 279.344 0.147 20 30 CCEDLO COc1ccc(CC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)nc1 ZINC000329294942 389155070 /nfs/dbraw/zinc/15/50/70/389155070.db2.gz SCGQNYPFQPDXFV-ZDUSSCGKSA-N 1 2 292.383 0.835 20 30 CCEDLO COc1ccc(CC(=O)NC[C@H]2CN(C)CC[N@H+]2C)nc1 ZINC000329294942 389155072 /nfs/dbraw/zinc/15/50/72/389155072.db2.gz SCGQNYPFQPDXFV-ZDUSSCGKSA-N 1 2 292.383 0.835 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(CC)n2)CC1 ZINC000123080303 389155144 /nfs/dbraw/zinc/15/51/44/389155144.db2.gz PADSCQYXMQMCFW-UHFFFAOYSA-N 1 2 261.329 0.651 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(CC)n[nH]2)CC1 ZINC000123080303 389155145 /nfs/dbraw/zinc/15/51/45/389155145.db2.gz PADSCQYXMQMCFW-UHFFFAOYSA-N 1 2 261.329 0.651 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012453 389157609 /nfs/dbraw/zinc/15/76/09/389157609.db2.gz ZCVSULGJEWWDHO-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012453 389157612 /nfs/dbraw/zinc/15/76/12/389157612.db2.gz ZCVSULGJEWWDHO-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3nncn3c2)C1 ZINC000329358237 389159793 /nfs/dbraw/zinc/15/97/93/389159793.db2.gz HMDXZTFAGZAFPD-SNVBAGLBSA-N 1 2 261.285 0.648 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc3nncn3c2)C1 ZINC000329358237 389159796 /nfs/dbraw/zinc/15/97/96/389159796.db2.gz HMDXZTFAGZAFPD-SNVBAGLBSA-N 1 2 261.285 0.648 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329433100 389163673 /nfs/dbraw/zinc/16/36/73/389163673.db2.gz LBHWUAWIVSBJDW-ZYHUDNBSSA-N 1 2 296.371 0.424 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329433100 389163674 /nfs/dbraw/zinc/16/36/74/389163674.db2.gz LBHWUAWIVSBJDW-ZYHUDNBSSA-N 1 2 296.371 0.424 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000359333203 389171079 /nfs/dbraw/zinc/17/10/79/389171079.db2.gz SNHMWUDMGMAPPJ-MNOVXSKESA-N 1 2 264.329 0.717 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2cnn(CCOC)c2)CC1 ZINC000126685138 389171114 /nfs/dbraw/zinc/17/11/14/389171114.db2.gz DYHSYCVBANDYDQ-UHFFFAOYSA-N 1 2 291.355 0.312 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000329569254 389172073 /nfs/dbraw/zinc/17/20/73/389172073.db2.gz PSLNABALIIURPN-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000329569254 389172075 /nfs/dbraw/zinc/17/20/75/389172075.db2.gz PSLNABALIIURPN-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359528175 389176176 /nfs/dbraw/zinc/17/61/76/389176176.db2.gz GIMBXULQTDOSJT-SNVBAGLBSA-N 1 2 269.251 0.228 20 30 CCEDLO Cn1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000329616308 389177425 /nfs/dbraw/zinc/17/74/25/389177425.db2.gz FNMDVXDKLMVNMS-UHFFFAOYSA-N 1 2 260.301 0.546 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NCC(=O)NC(C)(C)C ZINC000330563348 389241430 /nfs/dbraw/zinc/24/14/30/389241430.db2.gz JENWNTIYWGWLPB-UHFFFAOYSA-N 1 2 267.333 0.338 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248557875 389246572 /nfs/dbraw/zinc/24/65/72/389246572.db2.gz LXPYQTFPZAZJPA-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000248557875 389246574 /nfs/dbraw/zinc/24/65/74/389246574.db2.gz LXPYQTFPZAZJPA-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000245554566 389212099 /nfs/dbraw/zinc/21/20/99/389212099.db2.gz HGIJEYDHFWFENY-SMDDNHRTSA-N 1 2 289.335 0.664 20 30 CCEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000245554566 389212101 /nfs/dbraw/zinc/21/21/01/389212101.db2.gz HGIJEYDHFWFENY-SMDDNHRTSA-N 1 2 289.335 0.664 20 30 CCEDLO CCn1ncnc1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000329930728 389212728 /nfs/dbraw/zinc/21/27/28/389212728.db2.gz ORJBONBESYSZMS-LLVKDONJSA-N 1 2 296.375 0.022 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245755591 389217675 /nfs/dbraw/zinc/21/76/75/389217675.db2.gz YHZOVHVIHGHZBA-GHMZBOCLSA-N 1 2 291.317 0.693 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245755591 389217678 /nfs/dbraw/zinc/21/76/78/389217678.db2.gz YHZOVHVIHGHZBA-GHMZBOCLSA-N 1 2 291.317 0.693 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000330400002 389225242 /nfs/dbraw/zinc/22/52/42/389225242.db2.gz DLAVMFZTESSZSL-SNVBAGLBSA-N 1 2 252.318 0.802 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000330401685 389225249 /nfs/dbraw/zinc/22/52/49/389225249.db2.gz UWWLFFUAHBFZEI-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000330401685 389225251 /nfs/dbraw/zinc/22/52/51/389225251.db2.gz UWWLFFUAHBFZEI-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(C)(C)C(N)=O)CC2)C1=O ZINC000330411866 389225898 /nfs/dbraw/zinc/22/58/98/389225898.db2.gz ZFRNQXZOEHGTRM-LBPRGKRZSA-N 1 2 294.399 0.705 20 30 CCEDLO C=CCN1CC[C@H](N2CC[NH+](C(C)(C)C(N)=O)CC2)C1=O ZINC000330411866 389225899 /nfs/dbraw/zinc/22/58/99/389225899.db2.gz ZFRNQXZOEHGTRM-LBPRGKRZSA-N 1 2 294.399 0.705 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC000330445572 389230009 /nfs/dbraw/zinc/23/00/09/389230009.db2.gz VLNIXRWRJYSCNT-VIFPVBQESA-N 1 2 265.317 0.193 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC000330445572 389230012 /nfs/dbraw/zinc/23/00/12/389230012.db2.gz VLNIXRWRJYSCNT-VIFPVBQESA-N 1 2 265.317 0.193 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H](CO)C1 ZINC000330462819 389232397 /nfs/dbraw/zinc/23/23/97/389232397.db2.gz TXPWGXWLHBYJKS-NSHDSACASA-N 1 2 252.318 0.501 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC[C@H](CO)C1 ZINC000330462819 389232401 /nfs/dbraw/zinc/23/24/01/389232401.db2.gz TXPWGXWLHBYJKS-NSHDSACASA-N 1 2 252.318 0.501 20 30 CCEDLO C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)n[nH]c1=O ZINC000330494401 389235367 /nfs/dbraw/zinc/23/53/67/389235367.db2.gz ORUGIEHBOSYGDE-UHFFFAOYSA-N 1 2 297.384 0.036 20 30 CCEDLO C=CCN1C(=O)N=NC1SCC(=O)N1CC[NH+](C)CC1 ZINC000330494401 389235370 /nfs/dbraw/zinc/23/53/70/389235370.db2.gz ORUGIEHBOSYGDE-UHFFFAOYSA-N 1 2 297.384 0.036 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330511466 389236881 /nfs/dbraw/zinc/23/68/81/389236881.db2.gz FBQUGLYWCNUWTI-GYSYKLTISA-N 1 2 295.387 0.586 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330511466 389236884 /nfs/dbraw/zinc/23/68/84/389236884.db2.gz FBQUGLYWCNUWTI-GYSYKLTISA-N 1 2 295.387 0.586 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000330528183 389238426 /nfs/dbraw/zinc/23/84/26/389238426.db2.gz LQURJEUVAUSBGO-OLZOCXBDSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000330528183 389238427 /nfs/dbraw/zinc/23/84/27/389238427.db2.gz LQURJEUVAUSBGO-OLZOCXBDSA-N 1 2 277.299 0.573 20 30 CCEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)NCC#N ZINC000330543238 389239880 /nfs/dbraw/zinc/23/98/80/389239880.db2.gz AWNCTWDROYBAGG-RWMBFGLXSA-N 1 2 281.356 0.142 20 30 CCEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)NCC#N ZINC000330543238 389239881 /nfs/dbraw/zinc/23/98/81/389239881.db2.gz AWNCTWDROYBAGG-RWMBFGLXSA-N 1 2 281.356 0.142 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000366912766 389312550 /nfs/dbraw/zinc/31/25/50/389312550.db2.gz SGVSFVFLHZNFAM-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000366912766 389312552 /nfs/dbraw/zinc/31/25/52/389312552.db2.gz SGVSFVFLHZNFAM-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)(C#N)CCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000345736781 389313348 /nfs/dbraw/zinc/31/33/48/389313348.db2.gz FECHHJDZQQHLQZ-UHFFFAOYSA-N 1 2 266.389 0.808 20 30 CCEDLO N#C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000264487257 389331532 /nfs/dbraw/zinc/33/15/32/389331532.db2.gz NHUFCNHQUITVAB-GFCCVEGCSA-N 1 2 270.292 0.628 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC#N ZINC000343648739 389268799 /nfs/dbraw/zinc/26/87/99/389268799.db2.gz HDRNZHCDKAVEHL-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000330993575 389276361 /nfs/dbraw/zinc/27/63/61/389276361.db2.gz NPRVSUQICICISA-QWHCGFSZSA-N 1 2 291.399 0.779 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000330993575 389276363 /nfs/dbraw/zinc/27/63/63/389276363.db2.gz NPRVSUQICICISA-QWHCGFSZSA-N 1 2 291.399 0.779 20 30 CCEDLO C=CCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000365785915 389286918 /nfs/dbraw/zinc/28/69/18/389286918.db2.gz YEESZQZDOURCQR-UHFFFAOYSA-N 1 2 250.302 0.611 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCC3)C[C@@H]21 ZINC000152556518 389291230 /nfs/dbraw/zinc/29/12/30/389291230.db2.gz IQXJYUQGAOURBQ-NWDGAFQWSA-N 1 2 263.341 0.612 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCC3)C[C@@H]21 ZINC000152556518 389291232 /nfs/dbraw/zinc/29/12/32/389291232.db2.gz IQXJYUQGAOURBQ-NWDGAFQWSA-N 1 2 263.341 0.612 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000366082009 389291775 /nfs/dbraw/zinc/29/17/75/389291775.db2.gz AGIQXKLVVYQHRN-SCRDCRAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000366082009 389291778 /nfs/dbraw/zinc/29/17/78/389291778.db2.gz AGIQXKLVVYQHRN-SCRDCRAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C#CCC[NH+]1CCN(c2cnn(C)c(=O)c2Cl)CC1 ZINC000264007990 389302968 /nfs/dbraw/zinc/30/29/68/389302968.db2.gz AKAIWQSXOHQRNS-UHFFFAOYSA-N 1 2 280.759 0.579 20 30 CCEDLO C#CCOCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153881658 389308659 /nfs/dbraw/zinc/30/86/59/389308659.db2.gz UENMYXUYFYLLGM-AWEZNQCLSA-N 1 2 280.368 0.350 20 30 CCEDLO C=CCSCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348430969 389377183 /nfs/dbraw/zinc/37/71/83/389377183.db2.gz UQJYXAOHTLDZIH-GFCCVEGCSA-N 1 2 286.445 0.451 20 30 CCEDLO C=CCSCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348430969 389377188 /nfs/dbraw/zinc/37/71/88/389377188.db2.gz UQJYXAOHTLDZIH-GFCCVEGCSA-N 1 2 286.445 0.451 20 30 CCEDLO C=CC[N@@H+](CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000268685635 389388052 /nfs/dbraw/zinc/38/80/52/389388052.db2.gz PTMDOGZGGLEVKC-GFCCVEGCSA-N 1 2 299.396 0.986 20 30 CCEDLO C=CC[N@H+](CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000268685635 389388056 /nfs/dbraw/zinc/38/80/56/389388056.db2.gz PTMDOGZGGLEVKC-GFCCVEGCSA-N 1 2 299.396 0.986 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421029649 389349202 /nfs/dbraw/zinc/34/92/02/389349202.db2.gz XKKARMWOCHIKSJ-JSGCOSHPSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421029649 389349206 /nfs/dbraw/zinc/34/92/06/389349206.db2.gz XKKARMWOCHIKSJ-JSGCOSHPSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000348098094 389365123 /nfs/dbraw/zinc/36/51/23/389365123.db2.gz RVFHKBLHRZEHQH-ISVAXAHUSA-N 1 2 277.328 0.837 20 30 CCEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000413281830 389488562 /nfs/dbraw/zinc/48/85/62/389488562.db2.gz NZMOAFSIDPUCDY-CQSZACIVSA-N 1 2 295.383 0.486 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCN1C1CC1 ZINC000370971156 389424251 /nfs/dbraw/zinc/42/42/51/389424251.db2.gz BNEFPUZQKMPUPE-CYBMUJFWSA-N 1 2 273.340 0.472 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000163776292 389429680 /nfs/dbraw/zinc/42/96/80/389429680.db2.gz PNFDZSWTOLPCJX-CHWSQXEVSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000163776292 389429685 /nfs/dbraw/zinc/42/96/85/389429685.db2.gz PNFDZSWTOLPCJX-CHWSQXEVSA-N 1 2 260.293 0.666 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170628973 389457341 /nfs/dbraw/zinc/45/73/41/389457341.db2.gz CPTCFPWUVLEBGR-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170628973 389457347 /nfs/dbraw/zinc/45/73/47/389457347.db2.gz CPTCFPWUVLEBGR-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CSCC#N)CC2)S1 ZINC000174404567 389520356 /nfs/dbraw/zinc/52/03/56/389520356.db2.gz PXLVVBFPQJNFCL-JTQLQIEISA-N 1 2 298.437 0.879 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]23CCOC3=O)C1=O ZINC000281182341 389609795 /nfs/dbraw/zinc/60/97/95/389609795.db2.gz BAPXHXNVSTXMCJ-RISCZKNCSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]23CCOC3=O)C1=O ZINC000281182341 389609797 /nfs/dbraw/zinc/60/97/97/389609797.db2.gz BAPXHXNVSTXMCJ-RISCZKNCSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1=O ZINC000281507725 389617041 /nfs/dbraw/zinc/61/70/41/389617041.db2.gz WIHBSCZXIRWTMV-LBPRGKRZSA-N 1 2 276.340 0.519 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000351602053 389627848 /nfs/dbraw/zinc/62/78/48/389627848.db2.gz KENWIHZQMLICHN-NSHDSACASA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000351602053 389627854 /nfs/dbraw/zinc/62/78/54/389627854.db2.gz KENWIHZQMLICHN-NSHDSACASA-N 1 2 277.324 0.992 20 30 CCEDLO C=CCCC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000425288493 389643892 /nfs/dbraw/zinc/64/38/92/389643892.db2.gz BJZSNKXNHBMIOE-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO CCC[C@H]1CCC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414157943 389603392 /nfs/dbraw/zinc/60/33/92/389603392.db2.gz XBGZYCWOIISCSY-QWHCGFSZSA-N 1 2 295.383 0.758 20 30 CCEDLO CCC[C@H]1CCC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414157943 389603395 /nfs/dbraw/zinc/60/33/95/389603395.db2.gz XBGZYCWOIISCSY-QWHCGFSZSA-N 1 2 295.383 0.758 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000182543585 389710842 /nfs/dbraw/zinc/71/08/42/389710842.db2.gz WOQOUZWQCFCMGT-WDEREUQCSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000182872462 389719627 /nfs/dbraw/zinc/71/96/27/389719627.db2.gz ORKOWYGHIOREFW-QWHCGFSZSA-N 1 2 280.372 0.652 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000182168747 389702168 /nfs/dbraw/zinc/70/21/68/389702168.db2.gz PETPYRRKOOFPDG-UHFFFAOYSA-N 1 2 294.399 0.691 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000182168747 389702171 /nfs/dbraw/zinc/70/21/71/389702171.db2.gz PETPYRRKOOFPDG-UHFFFAOYSA-N 1 2 294.399 0.691 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430259207 389790815 /nfs/dbraw/zinc/79/08/15/389790815.db2.gz QFGQTWOOCFCWIF-RYUDHWBXSA-N 1 2 278.356 0.682 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000429146027 389740044 /nfs/dbraw/zinc/74/00/44/389740044.db2.gz XXXVIFDQHGLKKL-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000429146027 389740047 /nfs/dbraw/zinc/74/00/47/389740047.db2.gz XXXVIFDQHGLKKL-LLVKDONJSA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000416471217 389746825 /nfs/dbraw/zinc/74/68/25/389746825.db2.gz JVAHPHIGRGRSLP-WDEREUQCSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000416471217 389746827 /nfs/dbraw/zinc/74/68/27/389746827.db2.gz JVAHPHIGRGRSLP-WDEREUQCSA-N 1 2 289.401 0.005 20 30 CCEDLO CC(C)[C@@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000352415258 389807829 /nfs/dbraw/zinc/80/78/29/389807829.db2.gz XEAODNOVKWOIFW-NWDGAFQWSA-N 1 2 289.401 0.175 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@@H]1[C@H]1CCCO1 ZINC000408211108 389835644 /nfs/dbraw/zinc/83/56/44/389835644.db2.gz MSBGUCANSDHJFN-ZYHUDNBSSA-N 1 2 251.330 0.516 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@@H]1[C@H]1CCCO1 ZINC000408211108 389835646 /nfs/dbraw/zinc/83/56/46/389835646.db2.gz MSBGUCANSDHJFN-ZYHUDNBSSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000443718425 389884167 /nfs/dbraw/zinc/88/41/67/389884167.db2.gz MYGBDMAJQLHYHN-UHFFFAOYSA-N 1 2 265.338 0.542 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)CC(C)(C)C#N ZINC000433297938 389908099 /nfs/dbraw/zinc/90/80/99/389908099.db2.gz XWEYWNOMLGQMQQ-GFCCVEGCSA-N 1 2 255.362 0.161 20 30 CCEDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433303810 389908221 /nfs/dbraw/zinc/90/82/21/389908221.db2.gz JDKLZNGKFDYKHK-LLVKDONJSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303810 389908222 /nfs/dbraw/zinc/90/82/22/389908222.db2.gz JDKLZNGKFDYKHK-LLVKDONJSA-N 1 2 294.399 0.580 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488998921 390097296 /nfs/dbraw/zinc/09/72/96/390097296.db2.gz YNYNAASWOZWRRC-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488998921 390097297 /nfs/dbraw/zinc/09/72/97/390097297.db2.gz YNYNAASWOZWRRC-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000491327252 390111997 /nfs/dbraw/zinc/11/19/97/390111997.db2.gz UURHAECMHBRBKI-JTQLQIEISA-N 1 2 277.324 0.631 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000491327252 390111998 /nfs/dbraw/zinc/11/19/98/390111998.db2.gz UURHAECMHBRBKI-JTQLQIEISA-N 1 2 277.324 0.631 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCS(=O)(=O)C2)n1 ZINC000491663780 390115618 /nfs/dbraw/zinc/11/56/18/390115618.db2.gz HGKCQAVNJKOOQK-CYBMUJFWSA-N 1 2 295.408 0.773 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCS(=O)(=O)C2)n1 ZINC000491663780 390115619 /nfs/dbraw/zinc/11/56/19/390115619.db2.gz HGKCQAVNJKOOQK-CYBMUJFWSA-N 1 2 295.408 0.773 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000645516834 390440083 /nfs/dbraw/zinc/44/00/83/390440083.db2.gz XGVBPXBZDQSBJS-LBPRGKRZSA-N 1 2 277.324 0.664 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000514914754 390471165 /nfs/dbraw/zinc/47/11/65/390471165.db2.gz WCIDXTXKVYVVOP-DGAVXFQQSA-N 1 2 297.399 0.738 20 30 CCEDLO COC(=O)CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995908 390711938 /nfs/dbraw/zinc/71/19/38/390711938.db2.gz YQEVQYPYXJTJIY-LBPRGKRZSA-N 1 2 255.318 0.290 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000568178883 390712472 /nfs/dbraw/zinc/71/24/72/390712472.db2.gz ZRFALNCXSCPVAY-LSDHHAIUSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000568178883 390712474 /nfs/dbraw/zinc/71/24/74/390712474.db2.gz ZRFALNCXSCPVAY-LSDHHAIUSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000569857129 390716851 /nfs/dbraw/zinc/71/68/51/390716851.db2.gz XMLHBBCNLZEJTD-UHFFFAOYSA-N 1 2 290.367 0.207 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000567094999 390671246 /nfs/dbraw/zinc/67/12/46/390671246.db2.gz JSOGUIGRDGHNNI-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000567094999 390671249 /nfs/dbraw/zinc/67/12/49/390671249.db2.gz JSOGUIGRDGHNNI-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO N#Cc1cc(SCC[NH+]2CCOCC2)ncn1 ZINC000527134931 390693914 /nfs/dbraw/zinc/69/39/14/390693914.db2.gz KHOIXUCWLKDSHI-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO C=C[C@H](O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000646638209 390701978 /nfs/dbraw/zinc/70/19/78/390701978.db2.gz LHSZYSKMNJVCKA-GJZGRUSLSA-N 1 2 290.363 0.723 20 30 CCEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]cn3C)CC2)c1C#N ZINC000527315901 390702132 /nfs/dbraw/zinc/70/21/32/390702132.db2.gz UCHBPTYOVSVIIS-UHFFFAOYSA-N 1 2 299.382 0.656 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000571998352 390763058 /nfs/dbraw/zinc/76/30/58/390763058.db2.gz UIPQBBHGZSINRV-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000571998352 390763061 /nfs/dbraw/zinc/76/30/61/390763061.db2.gz UIPQBBHGZSINRV-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000528630475 390764660 /nfs/dbraw/zinc/76/46/60/390764660.db2.gz RUFYMVKMHNUMMU-IJLUTSLNSA-N 1 2 266.345 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000528630475 390764661 /nfs/dbraw/zinc/76/46/61/390764661.db2.gz RUFYMVKMHNUMMU-IJLUTSLNSA-N 1 2 266.345 0.308 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528722669 390770988 /nfs/dbraw/zinc/77/09/88/390770988.db2.gz SRUVUZPRCBSLCG-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528722669 390770989 /nfs/dbraw/zinc/77/09/89/390770989.db2.gz SRUVUZPRCBSLCG-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](COCC)C1 ZINC000528725155 390771011 /nfs/dbraw/zinc/77/10/11/390771011.db2.gz QXORBIIOJQZCRF-AWEZNQCLSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](COCC)C1 ZINC000528725155 390771013 /nfs/dbraw/zinc/77/10/13/390771013.db2.gz QXORBIIOJQZCRF-AWEZNQCLSA-N 1 2 282.384 0.924 20 30 CCEDLO Cc1c[nH+]cn1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000528967684 390785985 /nfs/dbraw/zinc/78/59/85/390785985.db2.gz CWBGQJIWBZWACU-SNVBAGLBSA-N 1 2 271.280 0.517 20 30 CCEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578285399 390874856 /nfs/dbraw/zinc/87/48/56/390874856.db2.gz XHKIUXGMWGJABX-SECBINFHSA-N 1 2 271.280 0.691 20 30 CCEDLO CCN1CCN(c2nccnc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530427843 390876957 /nfs/dbraw/zinc/87/69/57/390876957.db2.gz WDOMPPNMAKIGMU-GFCCVEGCSA-N 1 2 283.339 0.955 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000533545625 390885692 /nfs/dbraw/zinc/88/56/92/390885692.db2.gz RUBFLMDEQBAYGT-MNOVXSKESA-N 1 2 270.358 0.053 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000533545625 390885694 /nfs/dbraw/zinc/88/56/94/390885694.db2.gz RUBFLMDEQBAYGT-MNOVXSKESA-N 1 2 270.358 0.053 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329269225 533386364 /nfs/dbraw/zinc/38/63/64/533386364.db2.gz GUZNDTBJLLHFAO-JHJVBQTASA-N 1 2 285.388 0.636 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329269225 533386369 /nfs/dbraw/zinc/38/63/69/533386369.db2.gz GUZNDTBJLLHFAO-JHJVBQTASA-N 1 2 285.388 0.636 20 30 CCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000418120562 533527602 /nfs/dbraw/zinc/52/76/02/533527602.db2.gz IBYOQJJFBFVWQH-LBPRGKRZSA-N 1 2 291.307 0.405 20 30 CCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000418120562 533527608 /nfs/dbraw/zinc/52/76/08/533527608.db2.gz IBYOQJJFBFVWQH-LBPRGKRZSA-N 1 2 291.307 0.405 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247281528 131102688 /nfs/dbraw/zinc/10/26/88/131102688.db2.gz XKMISVZNJSRMIV-STQMWFEESA-N 1 2 292.383 0.285 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247281528 131102690 /nfs/dbraw/zinc/10/26/90/131102690.db2.gz XKMISVZNJSRMIV-STQMWFEESA-N 1 2 292.383 0.285 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cnccc1C#N)[NH+]1CCOCC1 ZINC000358761991 144178199 /nfs/dbraw/zinc/17/81/99/144178199.db2.gz UIXXDIAWDSKJHG-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000649552928 397634366 /nfs/dbraw/zinc/63/43/66/397634366.db2.gz KTUUTQCRMKNHIW-CYBMUJFWSA-N 1 2 287.429 0.649 20 30 CCEDLO COC(=O)C1(CN(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000344125958 411763516 /nfs/dbraw/zinc/76/35/16/411763516.db2.gz FYAVQLYJSJRWEE-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000020294714 171135647 /nfs/dbraw/zinc/13/56/47/171135647.db2.gz PFDVZAKJBFIMQG-LBPRGKRZSA-N 1 2 272.308 0.446 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000020294714 171135650 /nfs/dbraw/zinc/13/56/50/171135650.db2.gz PFDVZAKJBFIMQG-LBPRGKRZSA-N 1 2 272.308 0.446 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)nn1 ZINC000653699690 412337243 /nfs/dbraw/zinc/33/72/43/412337243.db2.gz DDBFLBUAVRWHLK-ZDUSSCGKSA-N 1 2 277.372 0.907 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)nn1 ZINC000653699690 412337245 /nfs/dbraw/zinc/33/72/45/412337245.db2.gz DDBFLBUAVRWHLK-ZDUSSCGKSA-N 1 2 277.372 0.907 20 30 CCEDLO CNS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285004036 196175546 /nfs/dbraw/zinc/17/55/46/196175546.db2.gz DILWHZFTGMDAOU-UHFFFAOYSA-N 1 2 294.380 0.140 20 30 CCEDLO C=CC[N@@H+](C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000660071184 414086359 /nfs/dbraw/zinc/08/63/59/414086359.db2.gz XDHSVQKCNOVHEW-RYUDHWBXSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CC[N@H+](C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000660071184 414086369 /nfs/dbraw/zinc/08/63/69/414086369.db2.gz XDHSVQKCNOVHEW-RYUDHWBXSA-N 1 2 277.386 0.323 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](O)COc2ccccc2C#N)n1 ZINC000038034826 174033550 /nfs/dbraw/zinc/03/35/50/174033550.db2.gz CRJHJHLJFMSWPT-LBPRGKRZSA-N 1 2 288.307 0.779 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](C)COC ZINC000663990461 415196649 /nfs/dbraw/zinc/19/66/49/415196649.db2.gz ICTRACFQVYMALR-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](C)COC ZINC000663990461 415196653 /nfs/dbraw/zinc/19/66/53/415196653.db2.gz ICTRACFQVYMALR-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO C[C@]1(NC(=O)NCC[NH+]2CCOCC2)CCCOC1 ZINC000329122848 227312548 /nfs/dbraw/zinc/31/25/48/227312548.db2.gz RKECMACWNLUSRZ-ZDUSSCGKSA-N 1 2 271.361 0.391 20 30 CCEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000329968957 228001202 /nfs/dbraw/zinc/00/12/02/228001202.db2.gz UFCNQWBDIDXSJC-CIQGVGRVSA-N 1 2 288.351 0.809 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CC[S@](=O)C1 ZINC000329999036 228011787 /nfs/dbraw/zinc/01/17/87/228011787.db2.gz UATJFUXDVRRBOR-MPDMTVCLSA-N 1 2 298.412 0.852 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329999036 228011789 /nfs/dbraw/zinc/01/17/89/228011789.db2.gz UATJFUXDVRRBOR-MPDMTVCLSA-N 1 2 298.412 0.852 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@@H]1CC[S@](=O)C1 ZINC000329999036 228011790 /nfs/dbraw/zinc/01/17/90/228011790.db2.gz UATJFUXDVRRBOR-MPDMTVCLSA-N 1 2 298.412 0.852 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000331840397 228131299 /nfs/dbraw/zinc/13/12/99/228131299.db2.gz KPFPLUOMHOBOPT-JSGCOSHPSA-N 1 2 297.424 0.595 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000331840397 228131301 /nfs/dbraw/zinc/13/13/01/228131301.db2.gz KPFPLUOMHOBOPT-JSGCOSHPSA-N 1 2 297.424 0.595 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000330352234 228163837 /nfs/dbraw/zinc/16/38/37/228163837.db2.gz NCYMQVFAUMISTI-TXEJJXNPSA-N 1 2 293.323 0.604 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCOCC1 ZINC000329294019 545021709 /nfs/dbraw/zinc/02/17/09/545021709.db2.gz RUBJRLUZVOZUNO-TZMCWYRMSA-N 1 2 297.399 0.874 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2CCOCC2)C1 ZINC000329491584 545023232 /nfs/dbraw/zinc/02/32/32/545023232.db2.gz VNULNPMHNSWSON-ZDUSSCGKSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CCOCC2)C1 ZINC000329491584 545023234 /nfs/dbraw/zinc/02/32/34/545023234.db2.gz VNULNPMHNSWSON-ZDUSSCGKSA-N 1 2 284.404 0.162 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCOCC3)C[C@H]21 ZINC000329928401 545027716 /nfs/dbraw/zinc/02/77/16/545027716.db2.gz XWEIZDJEXNZKNZ-VXGBXAGGSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCOCC3)C[C@H]21 ZINC000329928401 545027717 /nfs/dbraw/zinc/02/77/17/545027717.db2.gz XWEIZDJEXNZKNZ-VXGBXAGGSA-N 1 2 269.345 0.094 20 30 CCEDLO Cn1ccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078719691 260301909 /nfs/dbraw/zinc/30/19/09/260301909.db2.gz NORJJHASEGVEIG-UHFFFAOYSA-N 1 2 277.372 0.468 20 30 CCEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000249056882 261238896 /nfs/dbraw/zinc/23/88/96/261238896.db2.gz NKGGHLBLUGSCNC-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000249056882 261238899 /nfs/dbraw/zinc/23/88/99/261238899.db2.gz NKGGHLBLUGSCNC-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249109308 261246934 /nfs/dbraw/zinc/24/69/34/261246934.db2.gz AJHBGPSQRFLPDV-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249109308 261246937 /nfs/dbraw/zinc/24/69/37/261246937.db2.gz AJHBGPSQRFLPDV-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)N(C)C ZINC000302587993 261262593 /nfs/dbraw/zinc/26/25/93/261262593.db2.gz FSMGHSUVJGVGHG-LBPRGKRZSA-N 1 2 294.399 0.738 20 30 CCEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)CC#N ZINC000497209123 262106607 /nfs/dbraw/zinc/10/66/07/262106607.db2.gz NGILTXBXIMZDAI-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)CC#N ZINC000497209123 262106609 /nfs/dbraw/zinc/10/66/09/262106609.db2.gz NGILTXBXIMZDAI-NSHDSACASA-N 1 2 296.371 0.567 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000369026358 262273478 /nfs/dbraw/zinc/27/34/78/262273478.db2.gz HLWGLHAXTCSZTR-GFCCVEGCSA-N 1 2 297.424 0.328 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000369026358 262273479 /nfs/dbraw/zinc/27/34/79/262273479.db2.gz HLWGLHAXTCSZTR-GFCCVEGCSA-N 1 2 297.424 0.328 20 30 CCEDLO C[C@@H](C#N)CN(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000336804899 262395786 /nfs/dbraw/zinc/39/57/86/262395786.db2.gz NNRZCVWYPPHXIZ-GXTWGEPZSA-N 1 2 267.373 0.304 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(F)F)CC2)C1=O ZINC000337142269 262426527 /nfs/dbraw/zinc/42/65/27/262426527.db2.gz TVHGDRAZONWOMR-NSHDSACASA-N 1 2 273.327 0.656 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000340174563 263083013 /nfs/dbraw/zinc/08/30/13/263083013.db2.gz XHSOMBKOEHYFMV-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284428301 263086965 /nfs/dbraw/zinc/08/69/65/263086965.db2.gz OOYHXCZKGFOKAX-LLVKDONJSA-N 1 2 267.329 0.655 20 30 CCEDLO Cn1ncc(CO[NH+]=C(N)COc2cc(F)cc(F)c2)n1 ZINC000289426958 263110104 /nfs/dbraw/zinc/11/01/04/263110104.db2.gz RJAFILUMHAJUEU-UHFFFAOYSA-N 1 2 297.265 0.961 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccccn1 ZINC000299538560 263246388 /nfs/dbraw/zinc/24/63/88/263246388.db2.gz PYBBPAOGRKVVAZ-UHFFFAOYSA-N 1 2 288.351 0.770 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000121635239 263296825 /nfs/dbraw/zinc/29/68/25/263296825.db2.gz BWXHTGGCIFSUKK-UHFFFAOYSA-N 1 2 283.353 0.915 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000121635239 263296827 /nfs/dbraw/zinc/29/68/27/263296827.db2.gz BWXHTGGCIFSUKK-UHFFFAOYSA-N 1 2 283.353 0.915 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000341471527 263341311 /nfs/dbraw/zinc/34/13/11/263341311.db2.gz OTKDWEFOWDLHRN-UHFFFAOYSA-N 1 2 290.367 0.514 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000341851762 263359487 /nfs/dbraw/zinc/35/94/87/263359487.db2.gz WLBILTNSGHXUOK-CYBMUJFWSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000341851762 263359488 /nfs/dbraw/zinc/35/94/88/263359488.db2.gz WLBILTNSGHXUOK-CYBMUJFWSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000341849627 263359592 /nfs/dbraw/zinc/35/95/92/263359592.db2.gz RANYFKFJGOVDBQ-CYBMUJFWSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000341849627 263359593 /nfs/dbraw/zinc/35/95/93/263359593.db2.gz RANYFKFJGOVDBQ-CYBMUJFWSA-N 1 2 299.415 0.581 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000341989201 263381302 /nfs/dbraw/zinc/38/13/02/263381302.db2.gz JPCIJHHZBCJLFJ-UHFFFAOYSA-N 1 2 294.355 0.227 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000960542784 649855537 /nfs/dbraw/zinc/85/55/37/649855537.db2.gz XSHOPIJNWZLCRC-JYAVWHMHSA-N 1 2 286.335 0.203 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NCc1ncnn1C(C)(C)C ZINC000328781668 263870347 /nfs/dbraw/zinc/87/03/47/263870347.db2.gz JLYABYKZVQKUJN-UHFFFAOYSA-N 1 2 291.359 0.970 20 30 CCEDLO CCn1nncc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000330446464 263953984 /nfs/dbraw/zinc/95/39/84/263953984.db2.gz RIFYWFVEVNLZKS-GFCCVEGCSA-N 1 2 295.387 0.959 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@]1(CCO)CCOC1 ZINC000330597583 263981896 /nfs/dbraw/zinc/98/18/96/263981896.db2.gz WCZVZIOKQSKINT-AWEZNQCLSA-N 1 2 279.340 0.927 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC(C)(C)C#N ZINC000330760323 264031293 /nfs/dbraw/zinc/03/12/93/264031293.db2.gz LKHJRWZQQLSSSO-LBPRGKRZSA-N 1 2 283.372 0.078 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330778699 264035068 /nfs/dbraw/zinc/03/50/68/264035068.db2.gz LOBIULOURIBORH-CQSZACIVSA-N 1 2 275.356 0.753 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330775283 264035269 /nfs/dbraw/zinc/03/52/69/264035269.db2.gz HJQCZUYOTOFOPG-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO COc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)on1 ZINC000330800879 264041661 /nfs/dbraw/zinc/04/16/61/264041661.db2.gz AFFLRFKEBVZDGL-ZDUSSCGKSA-N 1 2 299.327 0.071 20 30 CCEDLO CC(C)(C)n1cnc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000330822646 264047946 /nfs/dbraw/zinc/04/79/46/264047946.db2.gz NWOKOWZMMIHDFG-UHFFFAOYSA-N 1 2 296.375 0.113 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330837904 264051611 /nfs/dbraw/zinc/05/16/11/264051611.db2.gz LESDNXLHIGENFL-WCQYABFASA-N 1 2 285.413 0.451 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330837904 264051614 /nfs/dbraw/zinc/05/16/14/264051614.db2.gz LESDNXLHIGENFL-WCQYABFASA-N 1 2 285.413 0.451 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CC[C@H](CCO)C1 ZINC000330922022 264093679 /nfs/dbraw/zinc/09/36/79/264093679.db2.gz ASLNNPBZTBTZMO-LLVKDONJSA-N 1 2 252.318 0.501 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CC[C@H](CCO)C1 ZINC000330922022 264093681 /nfs/dbraw/zinc/09/36/81/264093681.db2.gz ASLNNPBZTBTZMO-LLVKDONJSA-N 1 2 252.318 0.501 20 30 CCEDLO CNC(=O)CC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000330989404 264104335 /nfs/dbraw/zinc/10/43/35/264104335.db2.gz MEFMFTYORHUKDY-UHFFFAOYSA-N 1 2 293.371 0.645 20 30 CCEDLO CNC(=O)CC1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)CC1 ZINC000330989404 264104337 /nfs/dbraw/zinc/10/43/37/264104337.db2.gz MEFMFTYORHUKDY-UHFFFAOYSA-N 1 2 293.371 0.645 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000331010506 264107433 /nfs/dbraw/zinc/10/74/33/264107433.db2.gz JCASLXHIJZHKMT-NSHDSACASA-N 1 2 291.355 0.382 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770489 264247905 /nfs/dbraw/zinc/24/79/05/264247905.db2.gz RMCMRDRIXNTAEO-CYBMUJFWSA-N 1 2 299.378 0.766 20 30 CCEDLO C#CC[NH+](CC#C)CCn1cnc2ccccc2c1=O ZINC000072906721 264281609 /nfs/dbraw/zinc/28/16/09/264281609.db2.gz LYSNQUAWTVEYRC-UHFFFAOYSA-N 1 2 265.316 0.965 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000251862831 264296632 /nfs/dbraw/zinc/29/66/32/264296632.db2.gz OJTGDAQDJXOLGJ-XQQFMLRXSA-N 1 2 283.372 0.483 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000251862831 264296634 /nfs/dbraw/zinc/29/66/34/264296634.db2.gz OJTGDAQDJXOLGJ-XQQFMLRXSA-N 1 2 283.372 0.483 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000075918374 264334718 /nfs/dbraw/zinc/33/47/18/264334718.db2.gz AGUHTXKXFHIINT-UHFFFAOYSA-N 1 2 285.369 0.698 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000130580136 264361036 /nfs/dbraw/zinc/36/10/36/264361036.db2.gz WQWYJQXJMPMCAG-NSHDSACASA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000130580136 264361037 /nfs/dbraw/zinc/36/10/37/264361037.db2.gz WQWYJQXJMPMCAG-NSHDSACASA-N 1 2 253.346 0.279 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnc2ccccn21 ZINC000525886715 265033244 /nfs/dbraw/zinc/03/32/44/265033244.db2.gz VAUMTHKTKGJIQJ-LLVKDONJSA-N 1 2 298.350 0.942 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314636694 265174196 /nfs/dbraw/zinc/17/41/96/265174196.db2.gz JZKZZVAHCRRAET-MRVPVSSYSA-N 1 2 283.353 0.883 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357112522 266250869 /nfs/dbraw/zinc/25/08/69/266250869.db2.gz VSXCGUYSMWNCQK-UHFFFAOYSA-N 1 2 299.290 0.406 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357307577 266273388 /nfs/dbraw/zinc/27/33/88/266273388.db2.gz CVJHBKRGPJMYAU-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H](C)O ZINC000357561419 266325502 /nfs/dbraw/zinc/32/55/02/266325502.db2.gz GOMVUYWTLZMHFK-KBPBESRZSA-N 1 2 297.399 0.468 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000359226979 266552922 /nfs/dbraw/zinc/55/29/22/266552922.db2.gz JOVWLPJDFFKJIU-RYUDHWBXSA-N 1 2 278.356 0.915 20 30 CCEDLO CC#CCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000361656888 266867653 /nfs/dbraw/zinc/86/76/53/266867653.db2.gz UMXFRMQDVMIJJK-UHFFFAOYSA-N 1 2 253.346 0.373 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000115573621 267099835 /nfs/dbraw/zinc/09/98/35/267099835.db2.gz KKEHKLKITZVBID-CYBMUJFWSA-N 1 2 278.356 0.753 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000115573621 267099836 /nfs/dbraw/zinc/09/98/36/267099836.db2.gz KKEHKLKITZVBID-CYBMUJFWSA-N 1 2 278.356 0.753 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC#N ZINC000367802936 267118619 /nfs/dbraw/zinc/11/86/19/267118619.db2.gz FQEGFBLNYCHJIE-QWHCGFSZSA-N 1 2 280.372 0.795 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368225452 267154232 /nfs/dbraw/zinc/15/42/32/267154232.db2.gz WVANCRDZGBBYRS-ZDUSSCGKSA-N 1 2 292.383 0.998 20 30 CCEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000234341608 267355565 /nfs/dbraw/zinc/35/55/65/267355565.db2.gz QMUBFZOQDHXXRE-UHFFFAOYSA-N 1 2 279.365 0.803 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000399951331 268138877 /nfs/dbraw/zinc/13/88/77/268138877.db2.gz SSZAFCFYTSAXIB-CYBMUJFWSA-N 1 2 275.308 0.190 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](O)C2)cc1 ZINC000399951331 268138880 /nfs/dbraw/zinc/13/88/80/268138880.db2.gz SSZAFCFYTSAXIB-CYBMUJFWSA-N 1 2 275.308 0.190 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288712 277117522 /nfs/dbraw/zinc/11/75/22/277117522.db2.gz TZFDAROWLCJAQB-JQWIXIFHSA-N 1 2 275.308 0.968 20 30 CCEDLO COC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288712 277117524 /nfs/dbraw/zinc/11/75/24/277117524.db2.gz TZFDAROWLCJAQB-JQWIXIFHSA-N 1 2 275.308 0.968 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](C)[N@H+]1C ZINC000235683396 297066558 /nfs/dbraw/zinc/06/65/58/297066558.db2.gz SWDMBTHCDJDDNZ-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](C)[N@@H+]1C ZINC000235683396 297066560 /nfs/dbraw/zinc/06/65/60/297066560.db2.gz SWDMBTHCDJDDNZ-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC000762261340 581937471 /nfs/dbraw/zinc/93/74/71/581937471.db2.gz JTXRMBOGYSDGIF-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC000762261340 581937473 /nfs/dbraw/zinc/93/74/73/581937473.db2.gz JTXRMBOGYSDGIF-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn2c1OCCC2 ZINC000574919962 327639498 /nfs/dbraw/zinc/63/94/98/327639498.db2.gz SDSVXZOXKFGOEQ-AWEZNQCLSA-N 1 2 291.355 0.548 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000336923659 327948231 /nfs/dbraw/zinc/94/82/31/327948231.db2.gz SSFLZYFDSOIEIG-RYUDHWBXSA-N 1 2 299.400 0.588 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000563612181 328076756 /nfs/dbraw/zinc/07/67/56/328076756.db2.gz LEKGMEPDFMSRKI-LXTVHRRPSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000563612181 328076757 /nfs/dbraw/zinc/07/67/57/328076757.db2.gz LEKGMEPDFMSRKI-LXTVHRRPSA-N 1 2 294.395 0.899 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340742266 328399226 /nfs/dbraw/zinc/39/92/26/328399226.db2.gz KPYVLCZANXVSHA-NEPJUHHUSA-N 1 2 266.345 0.755 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCSC[C@@H]1C#N ZINC000557470637 327007579 /nfs/dbraw/zinc/00/75/79/327007579.db2.gz FNQJZIGFBXDDPK-JTQLQIEISA-N 1 2 250.327 0.430 20 30 CCEDLO C=CCOCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569422540 327175019 /nfs/dbraw/zinc/17/50/19/327175019.db2.gz DDOJQNJKNPZQFQ-CYBMUJFWSA-N 1 2 253.346 0.929 20 30 CCEDLO N#CCCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104105419 327238082 /nfs/dbraw/zinc/23/80/82/327238082.db2.gz AIHRVJAZJJYSEX-UHFFFAOYSA-N 1 2 294.380 0.837 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cnn(C)c1C ZINC000560019155 327278628 /nfs/dbraw/zinc/27/86/28/327278628.db2.gz YQOSWRFMJHOSCQ-UHFFFAOYSA-N 1 2 279.344 0.172 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cnn(C)c1C ZINC000560019155 327278629 /nfs/dbraw/zinc/27/86/29/327278629.db2.gz YQOSWRFMJHOSCQ-UHFFFAOYSA-N 1 2 279.344 0.172 20 30 CCEDLO CC#CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000357714327 328875076 /nfs/dbraw/zinc/87/50/76/328875076.db2.gz VNWIBIYFMKOSCL-UHFFFAOYSA-N 1 2 296.378 0.803 20 30 CCEDLO CC#CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000361222132 328915580 /nfs/dbraw/zinc/91/55/80/328915580.db2.gz XGYURBZAFNOUKR-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000170886426 329069252 /nfs/dbraw/zinc/06/92/52/329069252.db2.gz IFVDCVQCYXTTJU-WDEREUQCSA-N 1 2 271.386 0.469 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000171402043 329075396 /nfs/dbraw/zinc/07/53/96/329075396.db2.gz IMRVETOCSGVAEE-DOMZBBRYSA-N 1 2 292.383 0.395 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000171402043 329075398 /nfs/dbraw/zinc/07/53/98/329075398.db2.gz IMRVETOCSGVAEE-DOMZBBRYSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](CC#N)N(C)CC(O)C[N@H+](C)[C@@H](C)CC#N ZINC000181802044 329237463 /nfs/dbraw/zinc/23/74/63/329237463.db2.gz JIQSDCWDCXIZNG-FUNVUKJBSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)N(C)CC(O)C[N@@H+](C)[C@@H](C)CC#N ZINC000181802044 329237464 /nfs/dbraw/zinc/23/74/64/329237464.db2.gz JIQSDCWDCXIZNG-FUNVUKJBSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)CC(O)CN(C)[C@@H](C)CC#N ZINC000181802044 329237465 /nfs/dbraw/zinc/23/74/65/329237465.db2.gz JIQSDCWDCXIZNG-FUNVUKJBSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)CC(O)CN(C)[C@@H](C)CC#N ZINC000181802044 329237466 /nfs/dbraw/zinc/23/74/66/329237466.db2.gz JIQSDCWDCXIZNG-FUNVUKJBSA-N 1 2 252.362 0.815 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000527535762 330263618 /nfs/dbraw/zinc/26/36/18/330263618.db2.gz VQVBFCMPNXONOV-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425803283 330496523 /nfs/dbraw/zinc/49/65/23/330496523.db2.gz KIZQKZXEPYGJKF-VHSXEESVSA-N 1 2 288.307 0.837 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000429669661 330551743 /nfs/dbraw/zinc/55/17/43/330551743.db2.gz GZBWUEWBCVNAIC-CYBMUJFWSA-N 1 2 294.326 0.664 20 30 CCEDLO N#CCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433922224 330632891 /nfs/dbraw/zinc/63/28/91/330632891.db2.gz LBSGPEKHEBYZEB-UHFFFAOYSA-N 1 2 266.345 0.454 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449974819 330957205 /nfs/dbraw/zinc/95/72/05/330957205.db2.gz WBPDYOOWZUFCHM-KFWWJZLASA-N 1 2 294.395 0.901 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C#N)C[C@H]2C)CCO1 ZINC000451239765 331021528 /nfs/dbraw/zinc/02/15/28/331021528.db2.gz GJCGXRWIWJRUCV-YRGRVCCFSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C#N)C[C@H]2C)CCO1 ZINC000451239765 331021529 /nfs/dbraw/zinc/02/15/29/331021529.db2.gz GJCGXRWIWJRUCV-YRGRVCCFSA-N 1 2 265.357 0.763 20 30 CCEDLO CN(CC[N@H+](C)CCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000451268336 331022495 /nfs/dbraw/zinc/02/24/95/331022495.db2.gz LZLQKMMPYAEHEH-UHFFFAOYSA-N 1 2 296.396 0.616 20 30 CCEDLO CN(CC[N@@H+](C)CCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000451268336 331022496 /nfs/dbraw/zinc/02/24/96/331022496.db2.gz LZLQKMMPYAEHEH-UHFFFAOYSA-N 1 2 296.396 0.616 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454779723 331153250 /nfs/dbraw/zinc/15/32/50/331153250.db2.gz VDLKRYICPCBBRR-UHFFFAOYSA-N 1 2 276.340 0.800 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000457757241 331233465 /nfs/dbraw/zinc/23/34/65/331233465.db2.gz QRENBQYAOFXEPB-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458308451 331247991 /nfs/dbraw/zinc/24/79/91/331247991.db2.gz RTHQMROXVSIQJE-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458308451 331247992 /nfs/dbraw/zinc/24/79/92/331247992.db2.gz RTHQMROXVSIQJE-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458578600 331253326 /nfs/dbraw/zinc/25/33/26/331253326.db2.gz DJKOFSOHSKPFFJ-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458578600 331253327 /nfs/dbraw/zinc/25/33/27/331253327.db2.gz DJKOFSOHSKPFFJ-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458796899 331259970 /nfs/dbraw/zinc/25/99/70/331259970.db2.gz OLBTWSOIFIPBEG-JSGCOSHPSA-N 1 2 297.399 0.476 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458796899 331259971 /nfs/dbraw/zinc/25/99/71/331259971.db2.gz OLBTWSOIFIPBEG-JSGCOSHPSA-N 1 2 297.399 0.476 20 30 CCEDLO C=CCCCS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000489395668 332049838 /nfs/dbraw/zinc/04/98/38/332049838.db2.gz CPOOKCYLNKGENL-UHFFFAOYSA-N 1 2 298.412 0.823 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000489633568 332062325 /nfs/dbraw/zinc/06/23/25/332062325.db2.gz MJNCUZRYNSQEAQ-CHWSQXEVSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000489633568 332062326 /nfs/dbraw/zinc/06/23/26/332062326.db2.gz MJNCUZRYNSQEAQ-CHWSQXEVSA-N 1 2 290.429 0.669 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000490544342 332091208 /nfs/dbraw/zinc/09/12/08/332091208.db2.gz JRNPRFZFZFLUDV-UHFFFAOYSA-N 1 2 298.346 0.712 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000490678975 332102881 /nfs/dbraw/zinc/10/28/81/332102881.db2.gz QDZGHNJRTBBJRF-UHFFFAOYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CC[N@@H+](C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000490715372 332107933 /nfs/dbraw/zinc/10/79/33/332107933.db2.gz WOHHXQYXIQSTMP-NWDGAFQWSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[N@H+](C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000490715372 332107934 /nfs/dbraw/zinc/10/79/34/332107934.db2.gz WOHHXQYXIQSTMP-NWDGAFQWSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490742509 332112390 /nfs/dbraw/zinc/11/23/90/332112390.db2.gz YKKUQKZNLIFOAD-AGIUHOORSA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490742509 332112391 /nfs/dbraw/zinc/11/23/91/332112391.db2.gz YKKUQKZNLIFOAD-AGIUHOORSA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC(F)F)C2CC2)CC1 ZINC000490840059 332119289 /nfs/dbraw/zinc/11/92/89/332119289.db2.gz LJZOBLCWWCGZCS-UHFFFAOYSA-N 1 2 285.338 0.493 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000490852757 332120552 /nfs/dbraw/zinc/12/05/52/332120552.db2.gz MUXGJADFYPJWPT-ZDUSSCGKSA-N 1 2 255.321 0.931 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc(C(=O)OCC)c(C)n2)CC1 ZINC000490914482 332128645 /nfs/dbraw/zinc/12/86/45/332128645.db2.gz IZJJFDZRBAZMOT-UHFFFAOYSA-N 1 2 288.351 0.717 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000491067537 332144597 /nfs/dbraw/zinc/14/45/97/332144597.db2.gz JAQBORJKVNCWPM-AWEZNQCLSA-N 1 2 275.352 0.538 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000491067537 332144598 /nfs/dbraw/zinc/14/45/98/332144598.db2.gz JAQBORJKVNCWPM-AWEZNQCLSA-N 1 2 275.352 0.538 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CCOC2)n1 ZINC000491126352 332154048 /nfs/dbraw/zinc/15/40/48/332154048.db2.gz NGQLIMRGXJTBKR-AWEZNQCLSA-N 1 2 263.341 0.754 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CCOC2)n1 ZINC000491126352 332154049 /nfs/dbraw/zinc/15/40/49/332154049.db2.gz NGQLIMRGXJTBKR-AWEZNQCLSA-N 1 2 263.341 0.754 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491275365 332178768 /nfs/dbraw/zinc/17/87/68/332178768.db2.gz DGTSGJBTGPBHSF-RWMBFGLXSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1c[nH+]ccc1OC ZINC000491338097 332192246 /nfs/dbraw/zinc/19/22/46/332192246.db2.gz GDFQPJOVBNUQFZ-GFCCVEGCSA-N 1 2 275.308 0.634 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2[nH+]ccn2C)n1 ZINC000491408803 332207095 /nfs/dbraw/zinc/20/70/95/332207095.db2.gz WWNXKRBOSSOPIL-UHFFFAOYSA-N 1 2 287.367 0.898 20 30 CCEDLO C#C[C@H]1COCCN1CCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491643225 332262267 /nfs/dbraw/zinc/26/22/67/332262267.db2.gz ZWHXNZAKCTYZLW-GJZGRUSLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@H]1COCCN1CCC[N@H+]1CCOC[C@@H]1C#C ZINC000491643225 332262268 /nfs/dbraw/zinc/26/22/68/332262268.db2.gz ZWHXNZAKCTYZLW-GJZGRUSLSA-N 1 2 262.353 0.045 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000491645578 332263302 /nfs/dbraw/zinc/26/33/02/332263302.db2.gz PAQVZUNRXZZUQS-AWEZNQCLSA-N 1 2 286.379 0.732 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000491658661 332269677 /nfs/dbraw/zinc/26/96/77/332269677.db2.gz AXYCHBIIYDLVMG-YPMHNXCESA-N 1 2 288.351 0.249 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000491658661 332269678 /nfs/dbraw/zinc/26/96/78/332269678.db2.gz AXYCHBIIYDLVMG-YPMHNXCESA-N 1 2 288.351 0.249 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000491714418 332305074 /nfs/dbraw/zinc/30/50/74/332305074.db2.gz GPDBKVZHHXXFIH-CQSZACIVSA-N 1 2 286.379 0.510 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000491760668 332331666 /nfs/dbraw/zinc/33/16/66/332331666.db2.gz SBMCDOMQZNZJQX-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000491760668 332331668 /nfs/dbraw/zinc/33/16/68/332331668.db2.gz SBMCDOMQZNZJQX-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000491784392 332347477 /nfs/dbraw/zinc/34/74/77/332347477.db2.gz QQEAHNQFSVCAIC-UHFFFAOYSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000491784392 332347478 /nfs/dbraw/zinc/34/74/78/332347478.db2.gz QQEAHNQFSVCAIC-UHFFFAOYSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CC[N@@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491801733 332356089 /nfs/dbraw/zinc/35/60/89/332356089.db2.gz DOZUYJLXFQVVQH-NEPJUHHUSA-N 1 2 270.354 0.037 20 30 CCEDLO C#CC[N@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491801733 332356091 /nfs/dbraw/zinc/35/60/91/332356091.db2.gz DOZUYJLXFQVVQH-NEPJUHHUSA-N 1 2 270.354 0.037 20 30 CCEDLO Cc1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000492867029 332416767 /nfs/dbraw/zinc/41/67/67/332416767.db2.gz RBFCLXYFBOGYCW-ARJAWSKDSA-N 1 2 270.296 0.902 20 30 CCEDLO CC#CCCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000184441881 333128589 /nfs/dbraw/zinc/12/85/89/333128589.db2.gz BGKSRUKRUROCIQ-AWEZNQCLSA-N 1 2 282.384 0.332 20 30 CCEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccnn1C ZINC000575872764 335126803 /nfs/dbraw/zinc/12/68/03/335126803.db2.gz YDAAEPVHSVBZQS-MFKMUULPSA-N 1 2 263.345 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189455083 333193146 /nfs/dbraw/zinc/19/31/46/333193146.db2.gz QLPSXZGHSVGGII-SNVBAGLBSA-N 1 2 295.305 0.994 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189455083 333193148 /nfs/dbraw/zinc/19/31/48/333193148.db2.gz QLPSXZGHSVGGII-SNVBAGLBSA-N 1 2 295.305 0.994 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189483149 333193424 /nfs/dbraw/zinc/19/34/24/333193424.db2.gz SKEYPYRXROHUFQ-QMMMGPOBSA-N 1 2 297.277 0.243 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189483149 333193422 /nfs/dbraw/zinc/19/34/22/333193422.db2.gz SKEYPYRXROHUFQ-QMMMGPOBSA-N 1 2 297.277 0.243 20 30 CCEDLO C[C@H](C(=O)N[C@]1(C#N)CCOC1)[NH+]1CCSCC1 ZINC000547811378 334120855 /nfs/dbraw/zinc/12/08/55/334120855.db2.gz JZDYJKNHBPCGNL-PWSUYJOCSA-N 1 2 269.370 0.223 20 30 CCEDLO CC(C)(C(=O)N1CCN(CC#N)CC1)c1c[nH+]c[nH]1 ZINC000548747773 334169056 /nfs/dbraw/zinc/16/90/56/334169056.db2.gz AZYBSLZTTMHWJP-UHFFFAOYSA-N 1 2 261.329 0.355 20 30 CCEDLO CCn1ccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081158143 334179610 /nfs/dbraw/zinc/17/96/10/334179610.db2.gz ZARMJSCDMSWEFO-UHFFFAOYSA-N 1 2 291.399 0.951 20 30 CCEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC000549421250 334193216 /nfs/dbraw/zinc/19/32/16/334193216.db2.gz OVPRTPWLXSEGME-OLZOCXBDSA-N 1 2 285.351 0.680 20 30 CCEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC000549421250 334193218 /nfs/dbraw/zinc/19/32/18/334193218.db2.gz OVPRTPWLXSEGME-OLZOCXBDSA-N 1 2 285.351 0.680 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](CCC#N)CC1CC1 ZINC000081514719 334193887 /nfs/dbraw/zinc/19/38/87/334193887.db2.gz UIPPCQWOUSAJCM-UHFFFAOYSA-N 1 2 259.375 0.551 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](CCC#N)CC1CC1 ZINC000081514719 334193889 /nfs/dbraw/zinc/19/38/89/334193889.db2.gz UIPPCQWOUSAJCM-UHFFFAOYSA-N 1 2 259.375 0.551 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000248778448 334317312 /nfs/dbraw/zinc/31/73/12/334317312.db2.gz VKCGTZQLGSNEFM-VXGBXAGGSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000248778448 334317313 /nfs/dbraw/zinc/31/73/13/334317313.db2.gz VKCGTZQLGSNEFM-VXGBXAGGSA-N 1 2 281.356 0.335 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251638623 334365885 /nfs/dbraw/zinc/36/58/85/334365885.db2.gz HBZVQDJXNAROIJ-QWHCGFSZSA-N 1 2 283.372 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251638623 334365888 /nfs/dbraw/zinc/36/58/88/334365888.db2.gz HBZVQDJXNAROIJ-QWHCGFSZSA-N 1 2 283.372 0.484 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC000567237625 334696651 /nfs/dbraw/zinc/69/66/51/334696651.db2.gz MXNPIUNPACDVFW-NSHDSACASA-N 1 2 286.339 0.539 20 30 CCEDLO N#Cc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000576527100 335215229 /nfs/dbraw/zinc/21/52/29/335215229.db2.gz PVYAXUGEILNAIJ-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO Cc1csc(=O)n1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580689956 335328830 /nfs/dbraw/zinc/32/88/30/335328830.db2.gz YZATZGRWJJAQJZ-ZDUSSCGKSA-N 1 2 296.396 0.568 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCc1cccnc1 ZINC000580896439 335981444 /nfs/dbraw/zinc/98/14/44/335981444.db2.gz WQEBWFSXQSJUHV-CQSZACIVSA-N 1 2 276.340 0.558 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000581259337 336033703 /nfs/dbraw/zinc/03/37/03/336033703.db2.gz HGIPMIBTVOUPCH-VIFPVBQESA-N 1 2 254.334 0.893 20 30 CCEDLO Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425233170 533903529 /nfs/dbraw/zinc/90/35/29/533903529.db2.gz VTADSMXROODXCV-SNVBAGLBSA-N 1 2 266.326 0.129 20 30 CCEDLO Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)c(C#N)c[nH+]1 ZINC000425272794 534033895 /nfs/dbraw/zinc/03/38/95/534033895.db2.gz XJKIPHJQWKEUIH-NSHDSACASA-N 1 2 273.340 0.886 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCNC(=O)CC1 ZINC000329104578 534271559 /nfs/dbraw/zinc/27/15/59/534271559.db2.gz GQKFGACYLOPWGM-JTQLQIEISA-N 1 2 265.317 0.848 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCNC(=O)CC1 ZINC000329104578 534271562 /nfs/dbraw/zinc/27/15/62/534271562.db2.gz GQKFGACYLOPWGM-JTQLQIEISA-N 1 2 265.317 0.848 20 30 CCEDLO Cc1nc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000329263420 534450937 /nfs/dbraw/zinc/45/09/37/534450937.db2.gz ZTTQROCXRZSMFF-QMMMGPOBSA-N 1 2 252.322 0.337 20 30 CCEDLO Cc1nnc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)[nH]1 ZINC000329263420 534450940 /nfs/dbraw/zinc/45/09/40/534450940.db2.gz ZTTQROCXRZSMFF-QMMMGPOBSA-N 1 2 252.322 0.337 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000665929995 545110078 /nfs/dbraw/zinc/11/00/78/545110078.db2.gz JBQAUOQVDRPDKO-OAHLLOKOSA-N 1 2 275.352 0.663 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335979084 526481012 /nfs/dbraw/zinc/48/10/12/526481012.db2.gz IZDKZHKKQJHJLW-VXGBXAGGSA-N 1 2 263.341 0.080 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335979084 526481016 /nfs/dbraw/zinc/48/10/16/526481016.db2.gz IZDKZHKKQJHJLW-VXGBXAGGSA-N 1 2 263.341 0.080 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000340365173 526597034 /nfs/dbraw/zinc/59/70/34/526597034.db2.gz IBAPQANGOSIJGM-GFCCVEGCSA-N 1 2 275.308 0.744 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000340365173 526597038 /nfs/dbraw/zinc/59/70/38/526597038.db2.gz IBAPQANGOSIJGM-GFCCVEGCSA-N 1 2 275.308 0.744 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000666429385 545122768 /nfs/dbraw/zinc/12/27/68/545122768.db2.gz ICOWROQRHWXLGP-CYBMUJFWSA-N 1 2 279.340 0.483 20 30 CCEDLO N#Cc1ccncc1C(=O)NCCCn1cc[nH+]c1 ZINC000340940291 526764295 /nfs/dbraw/zinc/76/42/95/526764295.db2.gz NGHWBNXNZQRGFJ-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO CC(C)(O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000347280823 527319972 /nfs/dbraw/zinc/31/99/72/527319972.db2.gz BMYNGGPXZQUKJJ-UHFFFAOYSA-N 1 2 269.389 0.695 20 30 CCEDLO CC(C)(O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000347280823 527319983 /nfs/dbraw/zinc/31/99/83/527319983.db2.gz BMYNGGPXZQUKJJ-UHFFFAOYSA-N 1 2 269.389 0.695 20 30 CCEDLO CC(C)(O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000347280823 527319990 /nfs/dbraw/zinc/31/99/90/527319990.db2.gz BMYNGGPXZQUKJJ-UHFFFAOYSA-N 1 2 269.389 0.695 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333207180 527472556 /nfs/dbraw/zinc/47/25/56/527472556.db2.gz SLGKCHYNYZVELS-YIYPIFLZSA-N 1 2 295.383 0.444 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333207180 527472560 /nfs/dbraw/zinc/47/25/60/527472560.db2.gz SLGKCHYNYZVELS-YIYPIFLZSA-N 1 2 295.383 0.444 20 30 CCEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC#CCO ZINC000670410301 545233753 /nfs/dbraw/zinc/23/37/53/545233753.db2.gz LXLOCVIVEHWIOE-UHFFFAOYSA-N 1 2 271.320 0.711 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331464890 529129972 /nfs/dbraw/zinc/12/99/72/529129972.db2.gz VOCHEANPGXLTTH-UHFFFAOYSA-N 1 2 264.373 0.432 20 30 CCEDLO CC[N@H+](CC#CCOC)[C@@H](C)CS(=O)(=O)CC ZINC000677481041 545366439 /nfs/dbraw/zinc/36/64/39/545366439.db2.gz ZWHMAMRZVJVKQN-LBPRGKRZSA-N 1 2 261.387 0.781 20 30 CCEDLO CC[N@@H+](CC#CCOC)[C@@H](C)CS(=O)(=O)CC ZINC000677481041 545366440 /nfs/dbraw/zinc/36/64/40/545366440.db2.gz ZWHMAMRZVJVKQN-LBPRGKRZSA-N 1 2 261.387 0.781 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000677817531 545373675 /nfs/dbraw/zinc/37/36/75/545373675.db2.gz PKCSKUNMXIQONX-UHFFFAOYSA-N 1 2 279.384 0.860 20 30 CCEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000678622683 545395315 /nfs/dbraw/zinc/39/53/15/545395315.db2.gz CPDNHOLFESBKLY-UHFFFAOYSA-N 1 2 261.391 0.377 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000344942980 536338301 /nfs/dbraw/zinc/33/83/01/536338301.db2.gz WTPAMAWBKJYQES-GFCCVEGCSA-N 1 2 298.350 0.709 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000344942980 536338303 /nfs/dbraw/zinc/33/83/03/536338303.db2.gz WTPAMAWBKJYQES-GFCCVEGCSA-N 1 2 298.350 0.709 20 30 CCEDLO COC1(CO)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356433961 536689944 /nfs/dbraw/zinc/68/99/44/536689944.db2.gz VSHQCEBGXQNHMU-UHFFFAOYSA-N 1 2 267.354 0.988 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000684762471 545733781 /nfs/dbraw/zinc/73/37/81/545733781.db2.gz DWCUHUKTDIXYIZ-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684762471 545733785 /nfs/dbraw/zinc/73/37/85/545733785.db2.gz DWCUHUKTDIXYIZ-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO COCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792002 581133929 /nfs/dbraw/zinc/13/39/29/581133929.db2.gz DSNUOWOGOOJUHM-UHFFFAOYSA-N 1 2 293.367 0.802 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000743654765 581133994 /nfs/dbraw/zinc/13/39/94/581133994.db2.gz LBVLQEXXYGDWQR-WFASDCNBSA-N 1 2 276.336 0.701 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000743654765 581133996 /nfs/dbraw/zinc/13/39/96/581133996.db2.gz LBVLQEXXYGDWQR-WFASDCNBSA-N 1 2 276.336 0.701 20 30 CCEDLO C#CCCCS(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000791422391 581221129 /nfs/dbraw/zinc/22/11/29/581221129.db2.gz FBNJMPGTPQGZLM-UHFFFAOYSA-N 1 2 281.381 0.980 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000780213200 581222696 /nfs/dbraw/zinc/22/26/96/581222696.db2.gz DKUHPPGRNVARPO-AWEZNQCLSA-N 1 2 290.319 0.467 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257200 581234850 /nfs/dbraw/zinc/23/48/50/581234850.db2.gz QTURRFLLJXMXKT-VXGBXAGGSA-N 1 2 268.361 0.508 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257200 581234852 /nfs/dbraw/zinc/23/48/52/581234852.db2.gz QTURRFLLJXMXKT-VXGBXAGGSA-N 1 2 268.361 0.508 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726261123 581235198 /nfs/dbraw/zinc/23/51/98/581235198.db2.gz ZSSUKHOMXZFMAT-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726261123 581235200 /nfs/dbraw/zinc/23/52/00/581235200.db2.gz ZSSUKHOMXZFMAT-LBPRGKRZSA-N 1 2 287.429 0.926 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cnccn2)CC1 ZINC000791902593 581239086 /nfs/dbraw/zinc/23/90/86/581239086.db2.gz VOXJORZHLOWRHN-UHFFFAOYSA-N 1 2 287.319 0.548 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)o1 ZINC000793868158 581316880 /nfs/dbraw/zinc/31/68/80/581316880.db2.gz HZKYSJXMEONYOS-NSHDSACASA-N 1 2 274.324 0.661 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)o1 ZINC000793868158 581316882 /nfs/dbraw/zinc/31/68/82/581316882.db2.gz HZKYSJXMEONYOS-NSHDSACASA-N 1 2 274.324 0.661 20 30 CCEDLO COCC[N@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCOC1 ZINC000782964409 581329330 /nfs/dbraw/zinc/32/93/30/581329330.db2.gz VDXNKPPIURROGB-CYBMUJFWSA-N 1 2 277.324 0.415 20 30 CCEDLO COCC[N@@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCOC1 ZINC000782964409 581329332 /nfs/dbraw/zinc/32/93/32/581329332.db2.gz VDXNKPPIURROGB-CYBMUJFWSA-N 1 2 277.324 0.415 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000783735681 581357515 /nfs/dbraw/zinc/35/75/15/581357515.db2.gz JZDIJKLZKSGHBY-NSHDSACASA-N 1 2 250.302 0.221 20 30 CCEDLO COCCC[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794624021 581380344 /nfs/dbraw/zinc/38/03/44/581380344.db2.gz RSVGXQHFRIXGMU-UHFFFAOYSA-N 1 2 269.374 0.943 20 30 CCEDLO COCCC[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794624021 581380345 /nfs/dbraw/zinc/38/03/45/581380345.db2.gz RSVGXQHFRIXGMU-UHFFFAOYSA-N 1 2 269.374 0.943 20 30 CCEDLO C#CCOCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000784541326 581387449 /nfs/dbraw/zinc/38/74/49/581387449.db2.gz UDLTTZBTTUNALM-GFCCVEGCSA-N 1 2 276.340 0.569 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000794985877 581394034 /nfs/dbraw/zinc/39/40/34/581394034.db2.gz GLCGCXFQQIAGBI-NHAGDIPZSA-N 1 2 299.330 0.848 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000794985877 581394035 /nfs/dbraw/zinc/39/40/35/581394035.db2.gz GLCGCXFQQIAGBI-NHAGDIPZSA-N 1 2 299.330 0.848 20 30 CCEDLO C=C(C)COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658680 581414373 /nfs/dbraw/zinc/41/43/73/581414373.db2.gz KVCMBPPRZFYENM-CYBMUJFWSA-N 1 2 296.367 0.286 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1=O ZINC000795631690 581416379 /nfs/dbraw/zinc/41/63/79/581416379.db2.gz MINUWTOGAQAMPC-OAHLLOKOSA-N 1 2 289.335 0.559 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1=O ZINC000795631690 581416381 /nfs/dbraw/zinc/41/63/81/581416381.db2.gz MINUWTOGAQAMPC-OAHLLOKOSA-N 1 2 289.335 0.559 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000796557824 581443698 /nfs/dbraw/zinc/44/36/98/581443698.db2.gz IMDDQTAFIRRYTJ-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000796557824 581443699 /nfs/dbraw/zinc/44/36/99/581443699.db2.gz IMDDQTAFIRRYTJ-TZMCWYRMSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000787270720 581463633 /nfs/dbraw/zinc/46/36/33/581463633.db2.gz YCDZQPKKXHNQKH-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC2(C1)OCCO2 ZINC000787270720 581463634 /nfs/dbraw/zinc/46/36/34/581463634.db2.gz YCDZQPKKXHNQKH-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000765490834 581519650 /nfs/dbraw/zinc/51/96/50/581519650.db2.gz AOSLOAGTBBUJDK-UHFFFAOYSA-N 1 2 283.335 0.143 20 30 CCEDLO COC1(CO)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592115809 581673615 /nfs/dbraw/zinc/67/36/15/581673615.db2.gz DXLDRUXTXFSDGQ-UHFFFAOYSA-N 1 2 261.325 0.927 20 30 CCEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1ccc(OC)cc1 ZINC000735920310 581674439 /nfs/dbraw/zinc/67/44/39/581674439.db2.gz PKMCJQVGGCQQCW-UHFFFAOYSA-N 1 2 284.381 0.972 20 30 CCEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1ccc(OC)cc1 ZINC000735920310 581674441 /nfs/dbraw/zinc/67/44/41/581674441.db2.gz PKMCJQVGGCQQCW-UHFFFAOYSA-N 1 2 284.381 0.972 20 30 CCEDLO COCC#CC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000757660574 581705437 /nfs/dbraw/zinc/70/54/37/581705437.db2.gz GVZYPLWGWNYJCF-LBPRGKRZSA-N 1 2 267.398 0.745 20 30 CCEDLO COCC#CCN1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000757660574 581705441 /nfs/dbraw/zinc/70/54/41/581705441.db2.gz GVZYPLWGWNYJCF-LBPRGKRZSA-N 1 2 267.398 0.745 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000758190164 581725373 /nfs/dbraw/zinc/72/53/73/581725373.db2.gz FWQRIWAADIZSIE-UHFFFAOYSA-N 1 2 274.393 0.707 20 30 CCEDLO C[C@@H]1C[C@@H]1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758363046 581741191 /nfs/dbraw/zinc/74/11/91/581741191.db2.gz VFDMMENMNCXKRE-GHMZBOCLSA-N 1 2 270.402 0.425 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)OCCC)CC1 ZINC000741775695 581762235 /nfs/dbraw/zinc/76/22/35/581762235.db2.gz XNQXIUZUMFRJFX-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)CNC(=S)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000731947673 581796002 /nfs/dbraw/zinc/79/60/02/581796002.db2.gz INAVGBFQPJDBTM-NSHDSACASA-N 1 2 256.419 0.272 20 30 CCEDLO C=C(C)CNC(=S)NC[C@H]1CN(C)CC[N@H+]1C ZINC000731947673 581796004 /nfs/dbraw/zinc/79/60/04/581796004.db2.gz INAVGBFQPJDBTM-NSHDSACASA-N 1 2 256.419 0.272 20 30 CCEDLO CCOc1ccc(/C=[NH+]\CCc2nnnn2C)c(O)c1 ZINC000771522021 581806241 /nfs/dbraw/zinc/80/62/41/581806241.db2.gz XAXWXEKSIPKXEQ-ZROIWOOFSA-N 1 2 275.312 0.976 20 30 CCEDLO C=CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)C ZINC000772175605 581846127 /nfs/dbraw/zinc/84/61/27/581846127.db2.gz SPQXJYOOYVXKEG-UHFFFAOYSA-N 1 2 291.355 0.357 20 30 CCEDLO C=CC[N@@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)C ZINC000772175605 581846128 /nfs/dbraw/zinc/84/61/28/581846128.db2.gz SPQXJYOOYVXKEG-UHFFFAOYSA-N 1 2 291.355 0.357 20 30 CCEDLO Cc1cc(NCCNC(=O)C2N=CC=CC2=O)nc[nH+]1 ZINC000732920674 581854580 /nfs/dbraw/zinc/85/45/80/581854580.db2.gz HIHHFPAXWNBBIN-OUKQBFOZSA-N 1 2 273.296 0.723 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000761247004 581899070 /nfs/dbraw/zinc/89/90/70/581899070.db2.gz OBNBKJLCGWSNPN-VXGBXAGGSA-N 1 2 281.356 0.546 20 30 CCEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000746457083 581914249 /nfs/dbraw/zinc/91/42/49/581914249.db2.gz WHYPDQOZOJHTDO-UHFFFAOYSA-N 1 2 270.354 0.985 20 30 CCEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000746457083 581914252 /nfs/dbraw/zinc/91/42/52/581914252.db2.gz WHYPDQOZOJHTDO-UHFFFAOYSA-N 1 2 270.354 0.985 20 30 CCEDLO C#C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773367049 581924287 /nfs/dbraw/zinc/92/42/87/581924287.db2.gz RQKZGAYSACFZHU-NWDGAFQWSA-N 1 2 262.313 0.363 20 30 CCEDLO CC(C)NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773978776 581951274 /nfs/dbraw/zinc/95/12/74/581951274.db2.gz VUAKDORRGBXCAS-WDEREUQCSA-N 1 2 283.397 0.657 20 30 CCEDLO CC(C)NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773978776 581951276 /nfs/dbraw/zinc/95/12/76/581951276.db2.gz VUAKDORRGBXCAS-WDEREUQCSA-N 1 2 283.397 0.657 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000763081470 581985191 /nfs/dbraw/zinc/98/51/91/581985191.db2.gz KCYINVZXKMUGTP-JYJNAYRXSA-N 1 2 284.359 0.859 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000763081470 581985192 /nfs/dbraw/zinc/98/51/92/581985192.db2.gz KCYINVZXKMUGTP-JYJNAYRXSA-N 1 2 284.359 0.859 20 30 CCEDLO CO[C@H](C)C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000763123820 581987151 /nfs/dbraw/zinc/98/71/51/581987151.db2.gz AVUMJVKWWJWQPS-LLVKDONJSA-N 1 2 288.417 0.194 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000749359973 582004116 /nfs/dbraw/zinc/00/41/16/582004116.db2.gz BZLVREIRMTZVSN-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000749359973 582004117 /nfs/dbraw/zinc/00/41/17/582004117.db2.gz BZLVREIRMTZVSN-SECBINFHSA-N 1 2 252.767 0.753 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000749389349 582006528 /nfs/dbraw/zinc/00/65/28/582006528.db2.gz KUYHHPZNUPBXES-UHFFFAOYSA-N 1 2 267.332 0.878 20 30 CCEDLO COCC#CCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000774993719 582007967 /nfs/dbraw/zinc/00/79/67/582007967.db2.gz VRYUYYMEDFSXGI-NSHDSACASA-N 1 2 257.355 0.617 20 30 CCEDLO C=CC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000763725321 582012426 /nfs/dbraw/zinc/01/24/26/582012426.db2.gz BGVCALKFSNYSRB-NEPJUHHUSA-N 1 2 299.392 0.757 20 30 CCEDLO C=CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000763725321 582012427 /nfs/dbraw/zinc/01/24/27/582012427.db2.gz BGVCALKFSNYSRB-NEPJUHHUSA-N 1 2 299.392 0.757 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)[C@H]1CCCO1 ZINC000775795201 582039460 /nfs/dbraw/zinc/03/94/60/582039460.db2.gz VBSXKHJVVFEMOH-HUUCEWRRSA-N 1 2 297.362 0.992 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)[C@H]1CCCO1 ZINC000775799522 582039995 /nfs/dbraw/zinc/03/99/95/582039995.db2.gz KQHRZWBSEFGREM-MJBXVCDLSA-N 1 2 258.321 0.983 20 30 CCEDLO CN(C)c1cc[nH+]cc1C=NNc1nc2[nH][nH]cc-2c(=O)n1 ZINC000776185899 582056874 /nfs/dbraw/zinc/05/68/74/582056874.db2.gz HGIWTZZFMHRDGX-UHFFFAOYSA-N 1 2 298.310 0.339 20 30 CCEDLO CC[C@]1(C)NC(=O)N(N=Cc2ccc[nH+]c2N)C1=O ZINC000764659636 582061630 /nfs/dbraw/zinc/06/16/30/582061630.db2.gz MODQNSFQQAIRTK-LBPRGKRZSA-N 1 2 261.285 0.718 20 30 CCEDLO NC(=NOCCCO)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000776297935 582068319 /nfs/dbraw/zinc/06/83/19/582068319.db2.gz UQDAQOGYUJZXET-UHFFFAOYSA-N 1 2 293.367 0.538 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000776466265 582073910 /nfs/dbraw/zinc/07/39/10/582073910.db2.gz BPQREDYBSBKQCQ-STQMWFEESA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826602992 612945698 /nfs/dbraw/zinc/94/56/98/612945698.db2.gz AULYPCOSZSTSCL-OAHLLOKOSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826602992 612945699 /nfs/dbraw/zinc/94/56/99/612945699.db2.gz AULYPCOSZSTSCL-OAHLLOKOSA-N 1 2 272.348 0.945 20 30 CCEDLO C#CCSCC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000891375793 613011556 /nfs/dbraw/zinc/01/15/56/613011556.db2.gz VBXKRXSRZPMCBT-UHFFFAOYSA-N 1 2 297.468 0.885 20 30 CCEDLO C#CCSCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000153661637 613017475 /nfs/dbraw/zinc/01/74/75/613017475.db2.gz PPMPRHCYKSMEAV-GFCCVEGCSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279587 612950862 /nfs/dbraw/zinc/95/08/62/612950862.db2.gz CSYHAQVVBHEOGA-MNOVXSKESA-N 1 2 263.297 0.515 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000837481515 617180097 /nfs/dbraw/zinc/18/00/97/617180097.db2.gz QILVZWJCNFEZJD-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000837481515 617180099 /nfs/dbraw/zinc/18/00/99/617180099.db2.gz QILVZWJCNFEZJD-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280849 612953531 /nfs/dbraw/zinc/95/35/31/612953531.db2.gz IISZRZMSQRHVRT-QWRGUYRKSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280849 612953532 /nfs/dbraw/zinc/95/35/32/612953532.db2.gz IISZRZMSQRHVRT-QWRGUYRKSA-N 1 2 255.387 0.193 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000914308025 613054272 /nfs/dbraw/zinc/05/42/72/613054272.db2.gz LDQKJZVOCBOINE-GFCCVEGCSA-N 1 2 264.329 0.347 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000816674811 613056670 /nfs/dbraw/zinc/05/66/70/613056670.db2.gz LBZWXDQCGHBXBE-OCCSQVGLSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000816674811 613056671 /nfs/dbraw/zinc/05/66/71/613056671.db2.gz LBZWXDQCGHBXBE-OCCSQVGLSA-N 1 2 280.368 0.130 20 30 CCEDLO N#CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826381847 608673268 /nfs/dbraw/zinc/67/32/68/608673268.db2.gz BGATXIKHMDTMOH-UHFFFAOYSA-N 1 2 289.368 0.569 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC000972528718 613083475 /nfs/dbraw/zinc/08/34/75/613083475.db2.gz BCERWVVRYLODEB-TZMCWYRMSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC000972528718 613083476 /nfs/dbraw/zinc/08/34/76/613083476.db2.gz BCERWVVRYLODEB-TZMCWYRMSA-N 1 2 298.408 0.120 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000801932611 617297673 /nfs/dbraw/zinc/29/76/73/617297673.db2.gz RLAJOCDKOSTMHS-SMDDNHRTSA-N 1 2 273.336 1.000 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000801932611 617297674 /nfs/dbraw/zinc/29/76/74/617297674.db2.gz RLAJOCDKOSTMHS-SMDDNHRTSA-N 1 2 273.336 1.000 20 30 CCEDLO C#CCC1(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC000914084601 612969758 /nfs/dbraw/zinc/96/97/58/612969758.db2.gz KUJOXFDDMPSWJI-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCOCCN1CC[NH+](CCc2cnccn2)CC1 ZINC000879422214 612983699 /nfs/dbraw/zinc/98/36/99/612983699.db2.gz WJIGXNBUUCQCHZ-UHFFFAOYSA-N 1 2 274.368 0.287 20 30 CCEDLO C#CCOCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840345472 612986902 /nfs/dbraw/zinc/98/69/02/612986902.db2.gz SBNBOPFNFURENP-UHFFFAOYSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(C)no1 ZINC000852751407 612988775 /nfs/dbraw/zinc/98/87/75/612988775.db2.gz BCVBGJIJYYYHSH-UHFFFAOYSA-N 1 2 265.313 0.893 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cc(C)no1 ZINC000852751407 612988776 /nfs/dbraw/zinc/98/87/76/612988776.db2.gz BCVBGJIJYYYHSH-UHFFFAOYSA-N 1 2 265.313 0.893 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nn2C)C1 ZINC000949744572 612991636 /nfs/dbraw/zinc/99/16/36/612991636.db2.gz MIKMVGHKXOCCGT-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C)nc2C)C1 ZINC000949800764 612992579 /nfs/dbraw/zinc/99/25/79/612992579.db2.gz QFTGTPSKJJNZKA-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC1 ZINC000906483410 613009957 /nfs/dbraw/zinc/00/99/57/613009957.db2.gz HVXSIEPKYXJBCR-FPMFFAJLSA-N 1 2 260.337 0.379 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+](CCOC)CC1 ZINC000900684211 613010195 /nfs/dbraw/zinc/01/01/95/613010195.db2.gz JQXSOIRBTLONHE-UHFFFAOYSA-N 1 2 256.371 0.143 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)OC ZINC000844146369 613040773 /nfs/dbraw/zinc/04/07/73/613040773.db2.gz KNPKHGCFFAUQNK-ZYHUDNBSSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)OC ZINC000854910545 613040972 /nfs/dbraw/zinc/04/09/72/613040972.db2.gz XIOQSWPAQXPAMJ-GMTAPVOTSA-N 1 2 275.308 0.205 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000927295650 613047522 /nfs/dbraw/zinc/04/75/22/613047522.db2.gz VTEKSPGDOYSJGC-NSHDSACASA-N 1 2 279.340 0.041 20 30 CCEDLO C#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000935402759 613068637 /nfs/dbraw/zinc/06/86/37/613068637.db2.gz DIPKUWCTSAIKPB-CABCVRRESA-N 1 2 292.379 0.490 20 30 CCEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000822559665 613071094 /nfs/dbraw/zinc/07/10/94/613071094.db2.gz HZFNDUPXNQIGFD-UHFFFAOYSA-N 1 2 299.374 0.422 20 30 CCEDLO C#CCn1cc(CNC(=O)/C=C/C[NH+]2CCOCC2)cn1 ZINC000867855162 613076599 /nfs/dbraw/zinc/07/65/99/613076599.db2.gz IFDRNKJNMBDEGN-ONEGZZNKSA-N 1 2 288.351 0.021 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCc2c[nH]nn2)n1 ZINC000851996504 613078534 /nfs/dbraw/zinc/07/85/34/613078534.db2.gz TUIUFYYKZQFRGW-UHFFFAOYSA-N 1 2 258.329 0.699 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCc2c[nH]nn2)n1 ZINC000851996504 613078535 /nfs/dbraw/zinc/07/85/35/613078535.db2.gz TUIUFYYKZQFRGW-UHFFFAOYSA-N 1 2 258.329 0.699 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000820416492 613080900 /nfs/dbraw/zinc/08/09/00/613080900.db2.gz GLQNPHBLJDOABO-LLVKDONJSA-N 1 2 273.340 0.638 20 30 CCEDLO C#C[C@@H](CC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907717338 613082714 /nfs/dbraw/zinc/08/27/14/613082714.db2.gz ZMIDUGONQNWDCR-XSNHNAGMSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971539049 613083033 /nfs/dbraw/zinc/08/30/33/613083033.db2.gz JDLOQPXIHLMRDP-CHWSQXEVSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971539049 613083035 /nfs/dbraw/zinc/08/30/35/613083035.db2.gz JDLOQPXIHLMRDP-CHWSQXEVSA-N 1 2 286.379 0.996 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812020509 613083974 /nfs/dbraw/zinc/08/39/74/613083974.db2.gz CYUQGDQSWCCZPD-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812020509 613083976 /nfs/dbraw/zinc/08/39/76/613083976.db2.gz CYUQGDQSWCCZPD-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCCO1 ZINC000847759311 613092283 /nfs/dbraw/zinc/09/22/83/613092283.db2.gz TUJVTHVFEALSQQ-NEPJUHHUSA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000832417362 613098347 /nfs/dbraw/zinc/09/83/47/613098347.db2.gz FYWNSUFHNGMLGP-BYNQJWBRSA-N 1 2 273.336 0.821 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000856107707 613098458 /nfs/dbraw/zinc/09/84/58/613098458.db2.gz SOZFVSQXADHSON-UONOGXRCSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033520 613106897 /nfs/dbraw/zinc/10/68/97/613106897.db2.gz XYMBNBCGZNTAMW-WDEREUQCSA-N 1 2 274.372 0.926 20 30 CCEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033520 613106899 /nfs/dbraw/zinc/10/68/99/613106899.db2.gz XYMBNBCGZNTAMW-WDEREUQCSA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(CCC)C1=O)C(C)C ZINC000905740984 613108061 /nfs/dbraw/zinc/10/80/61/613108061.db2.gz AIMWWUSMALIEJY-UHFFFAOYSA-N 1 2 265.313 0.488 20 30 CCEDLO C#CC[N@H+](CN1C(=O)C(=O)N(CCC)C1=O)C(C)C ZINC000905740984 613108062 /nfs/dbraw/zinc/10/80/62/613108062.db2.gz AIMWWUSMALIEJY-UHFFFAOYSA-N 1 2 265.313 0.488 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902244774 613114462 /nfs/dbraw/zinc/11/44/62/613114462.db2.gz YVMBQHNBDOVRKR-YNEHKIRRSA-N 1 2 250.342 0.925 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902244774 613114463 /nfs/dbraw/zinc/11/44/63/613114463.db2.gz YVMBQHNBDOVRKR-YNEHKIRRSA-N 1 2 250.342 0.925 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC(C)C)CC2)C1 ZINC000941284462 613114744 /nfs/dbraw/zinc/11/47/44/613114744.db2.gz OVPCLZRVULLMAO-UHFFFAOYSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC000941582775 613115284 /nfs/dbraw/zinc/11/52/84/613115284.db2.gz WWRLAQYOYBAZRB-AWEZNQCLSA-N 1 2 273.380 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)c[nH]3)CC2)C1 ZINC000941490246 613115709 /nfs/dbraw/zinc/11/57/09/613115709.db2.gz WGYTYOPFGJEQDY-UHFFFAOYSA-N 1 2 290.342 0.229 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)co3)CC2)C1 ZINC000941528389 613115757 /nfs/dbraw/zinc/11/57/57/613115757.db2.gz WMRJCXVVYNIUGO-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccsn3)CC2)C1 ZINC000941451565 613116127 /nfs/dbraw/zinc/11/61/27/613116127.db2.gz KLKDLVUWZBNTHO-UHFFFAOYSA-N 1 2 290.392 0.218 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(C)n3)CC2)C1 ZINC000941387519 613116346 /nfs/dbraw/zinc/11/63/46/613116346.db2.gz IZVYSJCJRCSUPB-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882133273 613118921 /nfs/dbraw/zinc/11/89/21/613118921.db2.gz LHSWULOYPJWWMN-NSHDSACASA-N 1 2 278.377 0.975 20 30 CCEDLO C#C[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882133273 613118922 /nfs/dbraw/zinc/11/89/22/613118922.db2.gz LHSWULOYPJWWMN-NSHDSACASA-N 1 2 278.377 0.975 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820647957 613122451 /nfs/dbraw/zinc/12/24/51/613122451.db2.gz YFPLNLKFMKVVNL-KGLIPLIRSA-N 1 2 297.399 0.123 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000923554603 613173819 /nfs/dbraw/zinc/17/38/19/613173819.db2.gz JUXDWZFIKHZAGT-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000923554603 613173820 /nfs/dbraw/zinc/17/38/20/613173820.db2.gz JUXDWZFIKHZAGT-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)onc2CO)C1 ZINC000923559701 613173840 /nfs/dbraw/zinc/17/38/40/613173840.db2.gz RPUNWBAZFWBQKG-LLVKDONJSA-N 1 2 277.324 0.303 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)onc2CO)C1 ZINC000923559701 613173841 /nfs/dbraw/zinc/17/38/41/613173841.db2.gz RPUNWBAZFWBQKG-LLVKDONJSA-N 1 2 277.324 0.303 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCCC#N)C1 ZINC000885511750 613175873 /nfs/dbraw/zinc/17/58/73/613175873.db2.gz MCVHDDSCLCBMKO-CYBMUJFWSA-N 1 2 283.397 0.697 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCC#N)C1 ZINC000885511750 613175874 /nfs/dbraw/zinc/17/58/74/613175874.db2.gz MCVHDDSCLCBMKO-CYBMUJFWSA-N 1 2 283.397 0.697 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000923559687 613190946 /nfs/dbraw/zinc/19/09/46/613190946.db2.gz QXRFPJBQDQCKIT-NSHDSACASA-N 1 2 257.293 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000923559687 613190948 /nfs/dbraw/zinc/19/09/48/613190948.db2.gz QXRFPJBQDQCKIT-NSHDSACASA-N 1 2 257.293 0.979 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nnc(C)o1 ZINC000855567730 613194445 /nfs/dbraw/zinc/19/44/45/613194445.db2.gz ACPMGENAPVTEDS-NSHDSACASA-N 1 2 262.313 0.434 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nnc(C)o1 ZINC000855567730 613194446 /nfs/dbraw/zinc/19/44/46/613194446.db2.gz ACPMGENAPVTEDS-NSHDSACASA-N 1 2 262.313 0.434 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000837257933 613202065 /nfs/dbraw/zinc/20/20/65/613202065.db2.gz IVTUHWACFRBRKI-MJBXVCDLSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000837257933 613202068 /nfs/dbraw/zinc/20/20/68/613202068.db2.gz IVTUHWACFRBRKI-MJBXVCDLSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CSC[C@H]1C ZINC000804505054 613202561 /nfs/dbraw/zinc/20/25/61/613202561.db2.gz XFLPJWOPGRYYEQ-WOPDTQHZSA-N 1 2 252.383 0.952 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CSC[C@H]1C ZINC000804505054 613202563 /nfs/dbraw/zinc/20/25/63/613202563.db2.gz XFLPJWOPGRYYEQ-WOPDTQHZSA-N 1 2 252.383 0.952 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)NCc2c[nH+]cn2C)c1 ZINC000810431327 613202769 /nfs/dbraw/zinc/20/27/69/613202769.db2.gz GDRWNJCWOYRGSP-UHFFFAOYSA-N 1 2 282.303 0.656 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2nnnn2C)c1 ZINC000877975548 613203737 /nfs/dbraw/zinc/20/37/37/613203737.db2.gz KKTPZRDPZVFINL-UHFFFAOYSA-N 1 2 298.350 0.304 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2nnnn2C)c1 ZINC000877975548 613203738 /nfs/dbraw/zinc/20/37/38/613203738.db2.gz KKTPZRDPZVFINL-UHFFFAOYSA-N 1 2 298.350 0.304 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000806621278 613207721 /nfs/dbraw/zinc/20/77/21/613207721.db2.gz HQMKJRAIYXGHIT-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000806621278 613207724 /nfs/dbraw/zinc/20/77/24/613207724.db2.gz HQMKJRAIYXGHIT-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CC[NH+]1CCN(CN2Cc3c(cccc3OC)C2=O)CC1 ZINC000863254906 613209133 /nfs/dbraw/zinc/20/91/33/613209133.db2.gz PCCIDVNUFODELC-UHFFFAOYSA-N 1 2 299.374 0.859 20 30 CCEDLO C#CC[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000853131762 613209510 /nfs/dbraw/zinc/20/95/10/613209510.db2.gz SUZZVURAARVEJJ-UHFFFAOYSA-N 1 2 262.269 0.451 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC[C@@H](C)O3)n2C)CC1 ZINC000858876507 613209856 /nfs/dbraw/zinc/20/98/56/613209856.db2.gz BVQSPOCOMUBFQV-CHWSQXEVSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCOC)CC1 ZINC000802342207 613209906 /nfs/dbraw/zinc/20/99/06/613209906.db2.gz GOFMMXIPMBGZFB-UHFFFAOYSA-N 1 2 289.383 0.557 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccnc3)C2)C1 ZINC000972347303 613210888 /nfs/dbraw/zinc/21/08/88/613210888.db2.gz TWKPYVWRKPARGM-KRWDZBQOSA-N 1 2 299.374 0.561 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccnc3)C2)C1 ZINC000972347303 613210890 /nfs/dbraw/zinc/21/08/90/613210890.db2.gz TWKPYVWRKPARGM-KRWDZBQOSA-N 1 2 299.374 0.561 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972614277 613212975 /nfs/dbraw/zinc/21/29/75/613212975.db2.gz KDVFKFAJHOWMTQ-HZPDHXFCSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCOC3)C2)C1 ZINC000972614277 613212976 /nfs/dbraw/zinc/21/29/76/613212976.db2.gz KDVFKFAJHOWMTQ-HZPDHXFCSA-N 1 2 292.379 0.350 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000807057522 613213618 /nfs/dbraw/zinc/21/36/18/613213618.db2.gz STZFNMYEINHRFW-HNNXBMFYSA-N 1 2 285.347 0.610 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656163 613219119 /nfs/dbraw/zinc/21/91/19/613219119.db2.gz XSAJONOENQWMAP-TZMCWYRMSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656163 613219120 /nfs/dbraw/zinc/21/91/20/613219120.db2.gz XSAJONOENQWMAP-TZMCWYRMSA-N 1 2 274.368 0.651 20 30 CCEDLO COc1ccnc(C=NNCCCn2cc[nH+]c2)n1 ZINC000848416770 617324944 /nfs/dbraw/zinc/32/49/44/617324944.db2.gz XHSWMZZXSBAPEP-UHFFFAOYSA-N 1 2 260.301 0.696 20 30 CCEDLO C=C(C)C[N@@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981235622 613307910 /nfs/dbraw/zinc/30/79/10/613307910.db2.gz MWCUXOSKGQDTMG-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO C=C(C)C[N@H+]1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000981235622 613307912 /nfs/dbraw/zinc/30/79/12/613307912.db2.gz MWCUXOSKGQDTMG-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC000957120524 613315559 /nfs/dbraw/zinc/31/55/59/613315559.db2.gz ZEKGGTPSMBLKRT-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880050874 613329927 /nfs/dbraw/zinc/32/99/27/613329927.db2.gz GYNYBIFACLCCQA-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880050874 613329928 /nfs/dbraw/zinc/32/99/28/613329928.db2.gz GYNYBIFACLCCQA-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191691 613330400 /nfs/dbraw/zinc/33/04/00/613330400.db2.gz NIPIEPDPCOXDDC-GJZGRUSLSA-N 1 2 269.348 0.699 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880191691 613330401 /nfs/dbraw/zinc/33/04/01/613330401.db2.gz NIPIEPDPCOXDDC-GJZGRUSLSA-N 1 2 269.348 0.699 20 30 CCEDLO C=C(C)CNC(=[NH2+])NCc1nnc([C@H]2CCCO2)[nH]1 ZINC000849048475 613346469 /nfs/dbraw/zinc/34/64/69/613346469.db2.gz IAUMEUNUYFLFCK-SECBINFHSA-N 1 2 264.333 0.846 20 30 CCEDLO C=C(C)COCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866658028 613351823 /nfs/dbraw/zinc/35/18/23/613351823.db2.gz FKXWTAIVVJWURY-ARJAWSKDSA-N 1 2 268.357 0.584 20 30 CCEDLO C=C(C)CONC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854217405 613352874 /nfs/dbraw/zinc/35/28/74/613352874.db2.gz MWRVHOBCVWDFBV-GFCCVEGCSA-N 1 2 269.345 0.610 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCCc1c[nH+]cn1C ZINC000849964483 613359688 /nfs/dbraw/zinc/35/96/88/613359688.db2.gz MFNSCNUXDMHMRN-ZDUSSCGKSA-N 1 2 279.340 0.977 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758652 613361620 /nfs/dbraw/zinc/36/16/20/613361620.db2.gz OZUSUUPMQDPSGN-WXHSDQCUSA-N 1 2 261.325 0.905 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838116990 613363279 /nfs/dbraw/zinc/36/32/79/613363279.db2.gz XVDYBWQNVDFBGT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838116990 613363280 /nfs/dbraw/zinc/36/32/80/613363280.db2.gz XVDYBWQNVDFBGT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516761 613377901 /nfs/dbraw/zinc/37/79/01/613377901.db2.gz FITDZYPMVCJOPP-GXSJLCMTSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516761 613377902 /nfs/dbraw/zinc/37/79/02/613377902.db2.gz FITDZYPMVCJOPP-GXSJLCMTSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944047990 613378572 /nfs/dbraw/zinc/37/85/72/613378572.db2.gz WOUQXCWUUFTFNU-KOLCDFICSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944047990 613378573 /nfs/dbraw/zinc/37/85/73/613378573.db2.gz WOUQXCWUUFTFNU-KOLCDFICSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2conc2C)[C@H](O)C1 ZINC000958366759 613380370 /nfs/dbraw/zinc/38/03/70/613380370.db2.gz UNNSNKAZAAZRQV-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2conc2C)[C@H](O)C1 ZINC000958366759 613380371 /nfs/dbraw/zinc/38/03/71/613380371.db2.gz UNNSNKAZAAZRQV-ZYHUDNBSSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 ZINC000957835557 613381372 /nfs/dbraw/zinc/38/13/72/613381372.db2.gz YBYNTLCSRQGBHT-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 ZINC000957835557 613381373 /nfs/dbraw/zinc/38/13/73/613381373.db2.gz YBYNTLCSRQGBHT-PWSUYJOCSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000881426987 613391160 /nfs/dbraw/zinc/39/11/60/613391160.db2.gz ZSSXDNMIPVQWOK-UHFFFAOYSA-N 1 2 256.737 0.905 20 30 CCEDLO C=C1CCC(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000897235912 613403608 /nfs/dbraw/zinc/40/36/08/613403608.db2.gz ZFSOOMUUFMFNBE-HNNXBMFYSA-N 1 2 296.411 0.884 20 30 CCEDLO C=C1CCC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913558062 613404730 /nfs/dbraw/zinc/40/47/30/613404730.db2.gz INYIXDQKNMPBKB-ZDUSSCGKSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C1CCC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913558062 613404731 /nfs/dbraw/zinc/40/47/31/613404731.db2.gz INYIXDQKNMPBKB-ZDUSSCGKSA-N 1 2 252.358 0.868 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OC ZINC000905756628 613405790 /nfs/dbraw/zinc/40/57/90/613405790.db2.gz OOWNDSVAASYDOP-LLVKDONJSA-N 1 2 270.329 0.925 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917910 613412247 /nfs/dbraw/zinc/41/22/47/613412247.db2.gz YRTYHONOAQEXBG-WDEREUQCSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917910 613412248 /nfs/dbraw/zinc/41/22/48/613412248.db2.gz YRTYHONOAQEXBG-WDEREUQCSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924778038 613417359 /nfs/dbraw/zinc/41/73/59/613417359.db2.gz MHSGUVMEFUEOOW-SNVBAGLBSA-N 1 2 298.412 0.941 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870060063 613434080 /nfs/dbraw/zinc/43/40/80/613434080.db2.gz TYPVBALLVXZMPQ-ZDUSSCGKSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000845634985 613446708 /nfs/dbraw/zinc/44/67/08/613446708.db2.gz CZHWMJRZKFQICU-VXGBXAGGSA-N 1 2 270.377 0.428 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868727802 613460080 /nfs/dbraw/zinc/46/00/80/613460080.db2.gz SQTGPNOAKXJNDY-IVDJAJHCSA-N 1 2 280.368 0.725 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000886776896 613460820 /nfs/dbraw/zinc/46/08/20/613460820.db2.gz SJPASSDWRVCURS-JTQLQIEISA-N 1 2 251.334 0.674 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874712570 613465049 /nfs/dbraw/zinc/46/50/49/613465049.db2.gz ZURBGQCMZAKMOG-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874712570 613465052 /nfs/dbraw/zinc/46/50/52/613465052.db2.gz ZURBGQCMZAKMOG-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000838002160 613468002 /nfs/dbraw/zinc/46/80/02/613468002.db2.gz SSWAXYOTDHRMTQ-UPJWGTAASA-N 1 2 269.341 0.841 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000838002160 613468004 /nfs/dbraw/zinc/46/80/04/613468004.db2.gz SSWAXYOTDHRMTQ-UPJWGTAASA-N 1 2 269.341 0.841 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868957977 613468521 /nfs/dbraw/zinc/46/85/21/613468521.db2.gz FRFTVAVTELOJHQ-NVFZZLLCSA-N 1 2 280.368 0.582 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000845616536 613486262 /nfs/dbraw/zinc/48/62/62/613486262.db2.gz KOVGPVQEVPKBMV-RWMBFGLXSA-N 1 2 283.372 0.997 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912614646 613506231 /nfs/dbraw/zinc/50/62/31/613506231.db2.gz PBFFDRXZHRLQGY-SMDDNHRTSA-N 1 2 281.356 0.799 20 30 CCEDLO CC#CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922040505 613522265 /nfs/dbraw/zinc/52/22/65/613522265.db2.gz LNOGHGGXTTZBBR-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000969079485 613546524 /nfs/dbraw/zinc/54/65/24/613546524.db2.gz NYCDCGHBQWCXLG-LBPRGKRZSA-N 1 2 275.356 0.802 20 30 CCEDLO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000969079485 613546526 /nfs/dbraw/zinc/54/65/26/613546526.db2.gz NYCDCGHBQWCXLG-LBPRGKRZSA-N 1 2 275.356 0.802 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000981985999 613549018 /nfs/dbraw/zinc/54/90/18/613549018.db2.gz PYDGVGRSYMSKFV-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000981985999 613549019 /nfs/dbraw/zinc/54/90/19/613549019.db2.gz PYDGVGRSYMSKFV-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000981985999 613549022 /nfs/dbraw/zinc/54/90/22/613549022.db2.gz PYDGVGRSYMSKFV-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000981985999 613549025 /nfs/dbraw/zinc/54/90/25/613549025.db2.gz PYDGVGRSYMSKFV-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000957849809 613563070 /nfs/dbraw/zinc/56/30/70/613563070.db2.gz WIWZCRMQJMFMJF-UHFFFAOYSA-N 1 2 299.374 0.496 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972243168 613570773 /nfs/dbraw/zinc/57/07/73/613570773.db2.gz OWFDGZFIMWMTMP-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972243168 613570775 /nfs/dbraw/zinc/57/07/75/613570775.db2.gz OWFDGZFIMWMTMP-GDBMZVCRSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972291008 613570783 /nfs/dbraw/zinc/57/07/83/613570783.db2.gz KXOSLSIINDAZRM-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 ZINC000972291008 613570785 /nfs/dbraw/zinc/57/07/85/613570785.db2.gz KXOSLSIINDAZRM-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972290203 613571254 /nfs/dbraw/zinc/57/12/54/613571254.db2.gz SQLIGFFFMSBLHO-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972290203 613571255 /nfs/dbraw/zinc/57/12/55/613571255.db2.gz SQLIGFFFMSBLHO-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCCONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000912627209 613576142 /nfs/dbraw/zinc/57/61/42/613576142.db2.gz AQEWGBQOYADIPN-BENRWUELSA-N 1 2 254.330 0.889 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000809460458 613604111 /nfs/dbraw/zinc/60/41/11/613604111.db2.gz GRZNRJSALMURJT-LBPRGKRZSA-N 1 2 290.367 0.737 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911607408 613648302 /nfs/dbraw/zinc/64/83/02/613648302.db2.gz UOGIKZMKWWWPQW-UELRPHRMSA-N 1 2 280.368 0.155 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC000948589850 613707858 /nfs/dbraw/zinc/70/78/58/613707858.db2.gz AEHYTMBEFQVYLO-UHFFFAOYSA-N 1 2 262.357 0.683 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000957587551 613708336 /nfs/dbraw/zinc/70/83/36/613708336.db2.gz PAIJLYRGKAWLIB-UHFFFAOYSA-N 1 2 279.384 0.719 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)[C@H]2CCOC2)CC1 ZINC000949498894 613712648 /nfs/dbraw/zinc/71/26/48/613712648.db2.gz OMSBTNCWIYAXRZ-QWHCGFSZSA-N 1 2 268.357 0.368 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC[S@](=O)C(F)(F)F)C1=O ZINC000930310321 613738248 /nfs/dbraw/zinc/73/82/48/613738248.db2.gz DWUYCQPKNMEQHL-HOGDKLEQSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC[S@](=O)C(F)(F)F)C1=O ZINC000930310321 613738254 /nfs/dbraw/zinc/73/82/54/613738254.db2.gz DWUYCQPKNMEQHL-HOGDKLEQSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933665768 613845582 /nfs/dbraw/zinc/84/55/82/613845582.db2.gz ICTSEMDTSIJGJB-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933665768 613845583 /nfs/dbraw/zinc/84/55/83/613845583.db2.gz ICTSEMDTSIJGJB-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934644772 613845909 /nfs/dbraw/zinc/84/59/09/613845909.db2.gz XMHRYFOTAZMACJ-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934644772 613845911 /nfs/dbraw/zinc/84/59/11/613845911.db2.gz XMHRYFOTAZMACJ-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866691899 613845973 /nfs/dbraw/zinc/84/59/73/613845973.db2.gz RHESBWPHUCTGQF-UHFFFAOYSA-N 1 2 261.325 0.765 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866691899 613845975 /nfs/dbraw/zinc/84/59/75/613845975.db2.gz RHESBWPHUCTGQF-UHFFFAOYSA-N 1 2 261.325 0.765 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394743 613849580 /nfs/dbraw/zinc/84/95/80/613849580.db2.gz VOHLYTKEVBGKRO-UHFFFAOYSA-N 1 2 278.312 0.231 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394743 613849581 /nfs/dbraw/zinc/84/95/81/613849581.db2.gz VOHLYTKEVBGKRO-UHFFFAOYSA-N 1 2 278.312 0.231 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932367289 613849945 /nfs/dbraw/zinc/84/99/45/613849945.db2.gz NKDMPFIMQHFWRK-GFCCVEGCSA-N 1 2 289.339 0.529 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)SC ZINC000884251626 613878398 /nfs/dbraw/zinc/87/83/98/613878398.db2.gz MBARPXYXRPCKRF-IUCAKERBSA-N 1 2 260.359 0.301 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2CC1(C)C2 ZINC000884422694 613877410 /nfs/dbraw/zinc/87/74/10/613877410.db2.gz CEGFTRATNBCPQB-QUNCOHTASA-N 1 2 252.314 0.444 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H](C)CC ZINC000884133350 613877502 /nfs/dbraw/zinc/87/75/02/613877502.db2.gz VUOYGHLWSRLUFO-MNOVXSKESA-N 1 2 256.346 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCCC1 ZINC000884043987 613877615 /nfs/dbraw/zinc/87/76/15/613877615.db2.gz QFBPHEYUKOYBJU-NSHDSACASA-N 1 2 254.330 0.836 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000884316372 613877749 /nfs/dbraw/zinc/87/77/49/613877749.db2.gz QWCOKXWETRKIRN-SRVKXCTJSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC=CCC1 ZINC000884381216 613878535 /nfs/dbraw/zinc/87/85/35/613878535.db2.gz YKUYTPQJFDLLCJ-MNOVXSKESA-N 1 2 252.314 0.658 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000884153583 613878850 /nfs/dbraw/zinc/87/88/50/613878850.db2.gz NIRCEALOQHPYAG-WOPDTQHZSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CC2CC2)c1 ZINC000884159605 613878998 /nfs/dbraw/zinc/87/89/98/613878998.db2.gz IAYBPGVFOOZPTQ-LBPRGKRZSA-N 1 2 292.339 0.678 20 30 CCEDLO C=CCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867294429 613880496 /nfs/dbraw/zinc/88/04/96/613880496.db2.gz FOTQYZUTPJPVGY-ONEGZZNKSA-N 1 2 254.330 0.194 20 30 CCEDLO C=CCOC[C@H](NCc1c(C)cc[nH+]c1N)C(=O)OC ZINC000894642289 613882724 /nfs/dbraw/zinc/88/27/24/613882724.db2.gz LMTLCDNRFZDYGW-LBPRGKRZSA-N 1 2 279.340 0.806 20 30 CCEDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)CC#N ZINC000929859016 613923054 /nfs/dbraw/zinc/92/30/54/613923054.db2.gz OYYBXHFEANDTGB-SNVBAGLBSA-N 1 2 262.375 0.406 20 30 CCEDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)CC#N ZINC000929859016 613923056 /nfs/dbraw/zinc/92/30/56/613923056.db2.gz OYYBXHFEANDTGB-SNVBAGLBSA-N 1 2 262.375 0.406 20 30 CCEDLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000829998194 613972964 /nfs/dbraw/zinc/97/29/64/613972964.db2.gz JIONYHFDPBKANY-AWEZNQCLSA-N 1 2 281.356 0.956 20 30 CCEDLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000829998194 613972966 /nfs/dbraw/zinc/97/29/66/613972966.db2.gz JIONYHFDPBKANY-AWEZNQCLSA-N 1 2 281.356 0.956 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452573 614314680 /nfs/dbraw/zinc/31/46/80/614314680.db2.gz BZPVLIILLZMCIK-LBPRGKRZSA-N 1 2 260.341 0.932 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000837464437 614314996 /nfs/dbraw/zinc/31/49/96/614314996.db2.gz HLKYQJDBSYMHRK-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897229 614327530 /nfs/dbraw/zinc/32/75/30/614327530.db2.gz MOBULHRQZWBHJV-UHFFFAOYSA-N 1 2 266.341 0.211 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897229 614327531 /nfs/dbraw/zinc/32/75/31/614327531.db2.gz MOBULHRQZWBHJV-UHFFFAOYSA-N 1 2 266.341 0.211 20 30 CCEDLO CC(C[C@@H]1CCC(=O)N1)=NNCCCn1cc[nH+]c1 ZINC000848417255 614382359 /nfs/dbraw/zinc/38/23/59/614382359.db2.gz RGYASAAZYTVAKZ-LBPRGKRZSA-N 1 2 263.345 0.907 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NC1CCC(C)CC1 ZINC000121420776 614423225 /nfs/dbraw/zinc/42/32/25/614423225.db2.gz JXHKIVLTRXENQQ-HSOILSAZSA-N 1 2 271.361 0.741 20 30 CCEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000974674090 614606846 /nfs/dbraw/zinc/60/68/46/614606846.db2.gz HTNXGEFMIAPZMB-WZRBSPASSA-N 1 2 287.367 0.863 20 30 CCEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000974674090 614606847 /nfs/dbraw/zinc/60/68/47/614606847.db2.gz HTNXGEFMIAPZMB-WZRBSPASSA-N 1 2 287.367 0.863 20 30 CCEDLO CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000956606014 614644074 /nfs/dbraw/zinc/64/40/74/614644074.db2.gz PCTROHIWBBJQJQ-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)C#CC2CC2)CCO1 ZINC000837384630 614654440 /nfs/dbraw/zinc/65/44/40/614654440.db2.gz XMEAVZZUTXKFQP-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)C#CC2CC2)CCO1 ZINC000837384630 614654443 /nfs/dbraw/zinc/65/44/43/614654443.db2.gz XMEAVZZUTXKFQP-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000950658243 614683669 /nfs/dbraw/zinc/68/36/69/614683669.db2.gz GFMBXDRVRSQSSB-LBPRGKRZSA-N 1 2 287.367 0.502 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160345 615195352 /nfs/dbraw/zinc/19/53/52/615195352.db2.gz MHXHSQABFFXXQK-SNVBAGLBSA-N 1 2 296.327 0.067 20 30 CCEDLO CC[C@@H](C)[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000905767847 615468378 /nfs/dbraw/zinc/46/83/78/615468378.db2.gz OKSYFOKZWKHVIY-KOLCDFICSA-N 1 2 265.317 0.327 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801921779 615540970 /nfs/dbraw/zinc/54/09/70/615540970.db2.gz LWCLPETXCLOFHA-QWRGUYRKSA-N 1 2 262.375 0.670 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801921779 615540972 /nfs/dbraw/zinc/54/09/72/615540972.db2.gz LWCLPETXCLOFHA-QWRGUYRKSA-N 1 2 262.375 0.670 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H](C)C#N ZINC000925588170 615715682 /nfs/dbraw/zinc/71/56/82/615715682.db2.gz OMDCCWFNWNHFFF-QWHCGFSZSA-N 1 2 282.388 0.898 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061225 615941958 /nfs/dbraw/zinc/94/19/58/615941958.db2.gz ILJLNQALRXWJRY-CYBMUJFWSA-N 1 2 281.356 0.491 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061225 615941960 /nfs/dbraw/zinc/94/19/60/615941960.db2.gz ILJLNQALRXWJRY-CYBMUJFWSA-N 1 2 281.356 0.491 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125947 615961334 /nfs/dbraw/zinc/96/13/34/615961334.db2.gz MIHJMVDKXXRTBJ-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125947 615961337 /nfs/dbraw/zinc/96/13/37/615961337.db2.gz MIHJMVDKXXRTBJ-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO CN(C)S(=O)(=O)N1CC([NH2+]CC#Cc2ccccc2)C1 ZINC000895660335 615967378 /nfs/dbraw/zinc/96/73/78/615967378.db2.gz CLFPEFGHLSTLBC-UHFFFAOYSA-N 1 2 293.392 0.118 20 30 CCEDLO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000857241697 616113514 /nfs/dbraw/zinc/11/35/14/616113514.db2.gz HNEBNDXYJYWEDM-SECBINFHSA-N 1 2 292.261 0.972 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#CC1CC1 ZINC000862643539 616159778 /nfs/dbraw/zinc/15/97/78/616159778.db2.gz VUQTVGAYDDEJEJ-INIZCTEOSA-N 1 2 292.379 0.132 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#CC1CC1 ZINC000862643539 616159780 /nfs/dbraw/zinc/15/97/80/616159780.db2.gz VUQTVGAYDDEJEJ-INIZCTEOSA-N 1 2 292.379 0.132 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H]1CO ZINC000913556271 616228047 /nfs/dbraw/zinc/22/80/47/616228047.db2.gz VGYIXCHRCHTGLQ-VKJZCYHPSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H]1CO ZINC000913556271 616228048 /nfs/dbraw/zinc/22/80/48/616228048.db2.gz VGYIXCHRCHTGLQ-VKJZCYHPSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@@H]1CO ZINC000913558121 616230456 /nfs/dbraw/zinc/23/04/56/616230456.db2.gz JEADMFXQNYZJKM-CYBMUJFWSA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@@H]1CO ZINC000913558121 616230457 /nfs/dbraw/zinc/23/04/57/616230457.db2.gz JEADMFXQNYZJKM-CYBMUJFWSA-N 1 2 298.346 0.788 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801938508 616427054 /nfs/dbraw/zinc/42/70/54/616427054.db2.gz FSGOLBVVOJZYRZ-SRVKXCTJSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801938508 616427058 /nfs/dbraw/zinc/42/70/58/616427058.db2.gz FSGOLBVVOJZYRZ-SRVKXCTJSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801938509 616480167 /nfs/dbraw/zinc/48/01/67/616480167.db2.gz FSGOLBVVOJZYRZ-TUAOUCFPSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801938509 616480170 /nfs/dbraw/zinc/48/01/70/616480170.db2.gz FSGOLBVVOJZYRZ-TUAOUCFPSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000811215963 616978668 /nfs/dbraw/zinc/97/86/68/616978668.db2.gz GDODTSRKKJOIOX-GFCCVEGCSA-N 1 2 299.290 0.121 20 30 CCEDLO COC(=O)c1cncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000930818786 616987886 /nfs/dbraw/zinc/98/78/86/616987886.db2.gz ODJRYABUEJVKCO-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1cncc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000930818786 616987891 /nfs/dbraw/zinc/98/78/91/616987891.db2.gz ODJRYABUEJVKCO-AWEZNQCLSA-N 1 2 275.308 0.719 20 30 CCEDLO COc1c(N)[nH+]cnc1N1CCC2(CC1)CC(=O)C=CO2 ZINC000896882298 617147470 /nfs/dbraw/zinc/14/74/70/617147470.db2.gz ODDFNYFRMWWPJA-UHFFFAOYSA-N 1 2 290.323 0.910 20 30 CCEDLO COc1c(N)nc[nH+]c1N1CCC2(CC1)CC(=O)C=CO2 ZINC000896882298 617147471 /nfs/dbraw/zinc/14/74/71/617147471.db2.gz ODDFNYFRMWWPJA-UHFFFAOYSA-N 1 2 290.323 0.910 20 30 CCEDLO C[C@@]1(C2CC2)COCC[N@@H+]1CC(=O)NCCC#N ZINC000934482036 622718227 /nfs/dbraw/zinc/71/82/27/622718227.db2.gz ABKFFSKNHMSXJG-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@]1(C2CC2)COCC[N@H+]1CC(=O)NCCC#N ZINC000934482036 622718232 /nfs/dbraw/zinc/71/82/32/622718232.db2.gz ABKFFSKNHMSXJG-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)C1 ZINC000972359819 622779375 /nfs/dbraw/zinc/77/93/75/622779375.db2.gz ZVCUCNDHKGASRB-HUBLWGQQSA-N 1 2 298.333 0.824 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)C1 ZINC000972359819 622779385 /nfs/dbraw/zinc/77/93/85/622779385.db2.gz ZVCUCNDHKGASRB-HUBLWGQQSA-N 1 2 298.333 0.824 20 30 CCEDLO C#CCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000283423096 623171976 /nfs/dbraw/zinc/17/19/76/623171976.db2.gz BVLNOPHOISBCHF-UHFFFAOYSA-N 1 2 263.322 0.777 20 30 CCEDLO NC(=NOCCCO)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154760166 623425508 /nfs/dbraw/zinc/42/55/08/623425508.db2.gz NBTKYAHYUYKVSB-UHFFFAOYSA-N 1 2 293.367 0.538 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000969991500 624569679 /nfs/dbraw/zinc/56/96/79/624569679.db2.gz FVGMJWUUZAERER-RYUDHWBXSA-N 1 2 287.367 0.406 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677115 624807877 /nfs/dbraw/zinc/80/78/77/624807877.db2.gz GIXIWGMKIZUBDO-GXTWGEPZSA-N 1 2 287.367 0.789 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022228564 624896113 /nfs/dbraw/zinc/89/61/13/624896113.db2.gz IFMRWYMACYUTPC-LMLFDSFASA-N 1 2 259.313 0.274 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891902252 624990903 /nfs/dbraw/zinc/99/09/03/624990903.db2.gz RHUTYBXLRKNYSW-CHWSQXEVSA-N 1 2 283.347 0.761 20 30 CCEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000878820944 631668266 /nfs/dbraw/zinc/66/82/66/631668266.db2.gz RIAWGVJEURTECM-SNVBAGLBSA-N 1 2 290.385 0.635 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(CC#N)CC[C@H]1C ZINC000968592733 650021592 /nfs/dbraw/zinc/02/15/92/650021592.db2.gz PKZBAPAFVMIITM-MFKMUULPSA-N 1 2 275.356 0.611 20 30 CCEDLO N#CCC(=O)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000895066263 631915997 /nfs/dbraw/zinc/91/59/97/631915997.db2.gz RDARAYQZULWFPZ-UHFFFAOYSA-N 1 2 283.335 0.892 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CCCN1O ZINC000895157734 631989754 /nfs/dbraw/zinc/98/97/54/631989754.db2.gz SJBWGEHZLHJULB-GFCCVEGCSA-N 1 2 264.329 0.689 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)NCc2nc(C#N)cs2)c1 ZINC000895290993 632047394 /nfs/dbraw/zinc/04/73/94/632047394.db2.gz FCOSNJMOBUJYQP-UHFFFAOYSA-N 1 2 290.352 0.790 20 30 CCEDLO N#Cc1c(CO[NH+]=C(N)CCO)cn2ccccc12 ZINC000121310780 632482997 /nfs/dbraw/zinc/48/29/97/632482997.db2.gz HLBLGFWYVMGPDQ-UHFFFAOYSA-N 1 2 258.281 0.982 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001007688837 650088018 /nfs/dbraw/zinc/08/80/18/650088018.db2.gz UNGCAZBGUSJKMX-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001007688837 650088020 /nfs/dbraw/zinc/08/80/20/650088020.db2.gz UNGCAZBGUSJKMX-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)o1 ZINC000986273940 632738169 /nfs/dbraw/zinc/73/81/69/632738169.db2.gz CVNGFAZBECMTCF-GXFFZTMASA-N 1 2 288.351 0.870 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008184602 650104522 /nfs/dbraw/zinc/10/45/22/650104522.db2.gz UJDAYSKQXARWGP-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008184602 650104523 /nfs/dbraw/zinc/10/45/23/650104523.db2.gz UJDAYSKQXARWGP-MNOVXSKESA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658553 633340564 /nfs/dbraw/zinc/34/05/64/633340564.db2.gz ZLXLTAORMCATPN-UWVGGRQHSA-N 1 2 283.763 0.679 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001008463027 650115332 /nfs/dbraw/zinc/11/53/32/650115332.db2.gz FDONQZOFDIZAAT-LLVKDONJSA-N 1 2 265.357 0.409 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001008463027 650115336 /nfs/dbraw/zinc/11/53/36/650115336.db2.gz FDONQZOFDIZAAT-LLVKDONJSA-N 1 2 265.357 0.409 20 30 CCEDLO N#CC1(C[C@@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)CCC1 ZINC000899908823 633918629 /nfs/dbraw/zinc/91/86/29/633918629.db2.gz RYPCMEKOYALMGU-LLVKDONJSA-N 1 2 279.340 0.616 20 30 CCEDLO N#Cc1ccnc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000900629520 634058396 /nfs/dbraw/zinc/05/83/96/634058396.db2.gz XOWTUGVAALKXMQ-UHFFFAOYSA-N 1 2 298.350 0.468 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000906596875 635012616 /nfs/dbraw/zinc/01/26/16/635012616.db2.gz SZKIGFOTNBGWOO-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)nc1 ZINC000907108090 635072598 /nfs/dbraw/zinc/07/25/98/635072598.db2.gz VPWZZMKNIPBDTP-UHFFFAOYSA-N 1 2 289.320 0.395 20 30 CCEDLO Cc1cc(C)c(C(=O)NCCn2cnc(C#N)n2)c(C)[nH+]1 ZINC000908159592 635290768 /nfs/dbraw/zinc/29/07/68/635290768.db2.gz IZFMDPKOGCHXOI-UHFFFAOYSA-N 1 2 284.323 0.900 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010186652 650189918 /nfs/dbraw/zinc/18/99/18/650189918.db2.gz MSIUAYXIBMDDNE-LLVKDONJSA-N 1 2 268.748 0.826 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010186652 650189920 /nfs/dbraw/zinc/18/99/20/650189920.db2.gz MSIUAYXIBMDDNE-LLVKDONJSA-N 1 2 268.748 0.826 20 30 CCEDLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H](C)N1CC#N ZINC000911715218 636348208 /nfs/dbraw/zinc/34/82/08/636348208.db2.gz ZBORRARIBIYKKH-CHWSQXEVSA-N 1 2 287.367 0.938 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676567 650252311 /nfs/dbraw/zinc/25/23/11/650252311.db2.gz PSZZKHRQHJIJID-QWRGUYRKSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676567 650252315 /nfs/dbraw/zinc/25/23/15/650252315.db2.gz PSZZKHRQHJIJID-QWRGUYRKSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010697624 650254364 /nfs/dbraw/zinc/25/43/64/650254364.db2.gz WKAZLRXIPIOREX-NWDGAFQWSA-N 1 2 287.791 0.260 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001010697624 650254368 /nfs/dbraw/zinc/25/43/68/650254368.db2.gz WKAZLRXIPIOREX-NWDGAFQWSA-N 1 2 287.791 0.260 20 30 CCEDLO C=CCOCCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000912500744 636599237 /nfs/dbraw/zinc/59/92/37/636599237.db2.gz QJKNRAGSXSINAG-WYMLVPIESA-N 1 2 282.384 0.974 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453733 636810788 /nfs/dbraw/zinc/81/07/88/636810788.db2.gz PEAKHSUANXKSBH-ZDUSSCGKSA-N 1 2 296.334 0.772 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456095 636812586 /nfs/dbraw/zinc/81/25/86/636812586.db2.gz GQCPORRIIZYZMP-CMPLNLGQSA-N 1 2 261.329 0.443 20 30 CCEDLO O=C(C#Cc1ccccc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447344 636817795 /nfs/dbraw/zinc/81/77/95/636817795.db2.gz OBKKVBOZOJMXSV-HNNXBMFYSA-N 1 2 280.331 0.934 20 30 CCEDLO O=C(C#CC1CC1)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011109155 650286489 /nfs/dbraw/zinc/28/64/89/650286489.db2.gz QQTLGIFSVOFJOD-UHFFFAOYSA-N 1 2 286.335 0.036 20 30 CCEDLO NC(=NOCCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181744393 638414739 /nfs/dbraw/zinc/41/47/39/638414739.db2.gz VWWPXHFXHHYOSW-CYBMUJFWSA-N 1 2 279.340 0.169 20 30 CCEDLO NC(=NOCCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181744393 638414748 /nfs/dbraw/zinc/41/47/48/638414748.db2.gz VWWPXHFXHHYOSW-CYBMUJFWSA-N 1 2 279.340 0.169 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)o1 ZINC000995580433 638779289 /nfs/dbraw/zinc/77/92/89/638779289.db2.gz KTFPARMXDAZQGT-KOLCDFICSA-N 1 2 291.355 0.864 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996399228 638817711 /nfs/dbraw/zinc/81/77/11/638817711.db2.gz QXDFJJBUKOWMHW-WCQYABFASA-N 1 2 289.383 0.938 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996399228 638817712 /nfs/dbraw/zinc/81/77/12/638817712.db2.gz QXDFJJBUKOWMHW-WCQYABFASA-N 1 2 289.383 0.938 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754893 638831487 /nfs/dbraw/zinc/83/14/87/638831487.db2.gz DJNFIENHXBSWRO-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000998746952 638938850 /nfs/dbraw/zinc/93/88/50/638938850.db2.gz QJHNNCFAGDMXHD-UWVGGRQHSA-N 1 2 279.369 0.778 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999534953 638984957 /nfs/dbraw/zinc/98/49/57/638984957.db2.gz IGQKRFCRPQSTLA-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000563821 639116385 /nfs/dbraw/zinc/11/63/85/639116385.db2.gz MKJRVFDBVAGADK-UHFFFAOYSA-N 1 2 276.340 0.491 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001000789813 639166496 /nfs/dbraw/zinc/16/64/96/639166496.db2.gz DPGJYKDWSZXWAC-CHWSQXEVSA-N 1 2 285.351 0.785 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001000789813 639166497 /nfs/dbraw/zinc/16/64/97/639166497.db2.gz DPGJYKDWSZXWAC-CHWSQXEVSA-N 1 2 285.351 0.785 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001004181141 639711686 /nfs/dbraw/zinc/71/16/86/639711686.db2.gz GIOWGKCTTXZFGT-CYBMUJFWSA-N 1 2 298.408 0.168 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N(C)C1CCCCC1 ZINC000121321895 640200044 /nfs/dbraw/zinc/20/00/44/640200044.db2.gz VEXKXVUSWUAJAC-JTQLQIEISA-N 1 2 271.361 0.837 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780893113 640423959 /nfs/dbraw/zinc/42/39/59/640423959.db2.gz TXHCFTYNYFGJHH-RISCZKNCSA-N 1 2 284.319 0.993 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015551316 650580073 /nfs/dbraw/zinc/58/00/73/650580073.db2.gz UIHFLCANTIYTKH-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001015551316 650580075 /nfs/dbraw/zinc/58/00/75/650580075.db2.gz UIHFLCANTIYTKH-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592951 650586591 /nfs/dbraw/zinc/58/65/91/650586591.db2.gz RMROQKLCEATLHW-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592951 650586593 /nfs/dbraw/zinc/58/65/93/650586593.db2.gz RMROQKLCEATLHW-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599888 650588421 /nfs/dbraw/zinc/58/84/21/650588421.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599888 650588422 /nfs/dbraw/zinc/58/84/22/650588422.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 1 2 293.411 0.309 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921491 640674917 /nfs/dbraw/zinc/67/49/17/640674917.db2.gz FBHYXPBUQQPLSP-WDEREUQCSA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000801921491 640674919 /nfs/dbraw/zinc/67/49/19/640674919.db2.gz FBHYXPBUQQPLSP-WDEREUQCSA-N 1 2 274.386 0.813 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001015660003 650603748 /nfs/dbraw/zinc/60/37/48/650603748.db2.gz OYPRAIRVTBACSW-CYBMUJFWSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001015660003 650603751 /nfs/dbraw/zinc/60/37/51/650603751.db2.gz OYPRAIRVTBACSW-CYBMUJFWSA-N 1 2 279.384 0.669 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000809850435 640907878 /nfs/dbraw/zinc/90/78/78/640907878.db2.gz DAAVVEXRBAIVJT-UHFFFAOYSA-N 1 2 290.348 0.965 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC1(C#N)CC1 ZINC000815414525 641110520 /nfs/dbraw/zinc/11/05/20/641110520.db2.gz HXYOZBIXROTWNT-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015906831 650654614 /nfs/dbraw/zinc/65/46/14/650654614.db2.gz AZDFRLUYAUJOFK-JTQLQIEISA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015906831 650654616 /nfs/dbraw/zinc/65/46/16/650654616.db2.gz AZDFRLUYAUJOFK-JTQLQIEISA-N 1 2 296.758 0.670 20 30 CCEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016014434 650675797 /nfs/dbraw/zinc/67/57/97/650675797.db2.gz YIMMTISDSLTXJR-GFCCVEGCSA-N 1 2 291.326 0.867 20 30 CCEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016014434 650675798 /nfs/dbraw/zinc/67/57/98/650675798.db2.gz YIMMTISDSLTXJR-GFCCVEGCSA-N 1 2 291.326 0.867 20 30 CCEDLO C=C(Cl)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016393987 650723905 /nfs/dbraw/zinc/72/39/05/650723905.db2.gz IGWGXSKRKAHJLF-NSHDSACASA-N 1 2 268.748 0.826 20 30 CCEDLO Cc1ccc2c([n-]cc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2=O)[nH+]1 ZINC000834521224 642601542 /nfs/dbraw/zinc/60/15/42/642601542.db2.gz FGOQOGNYWOBAMR-CABZTGNLSA-N 1 2 297.318 0.485 20 30 CCEDLO Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c2=O ZINC000834521224 642601546 /nfs/dbraw/zinc/60/15/46/642601546.db2.gz FGOQOGNYWOBAMR-CABZTGNLSA-N 1 2 297.318 0.485 20 30 CCEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)CCO)C2CC2)o1 ZINC000121424270 642669157 /nfs/dbraw/zinc/66/91/57/642669157.db2.gz HFHHDOGIEBPCLW-UHFFFAOYSA-N 1 2 295.339 0.750 20 30 CCEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121425154 642669755 /nfs/dbraw/zinc/66/97/55/642669755.db2.gz RYEPRONONHAVSR-WDEREUQCSA-N 1 2 271.361 0.695 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841572751 642825846 /nfs/dbraw/zinc/82/58/46/642825846.db2.gz GRZASDWEDTVAFM-QWHCGFSZSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000841572751 642825849 /nfs/dbraw/zinc/82/58/49/642825849.db2.gz GRZASDWEDTVAFM-QWHCGFSZSA-N 1 2 288.413 0.117 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCC1=O ZINC001017342219 650795800 /nfs/dbraw/zinc/79/58/00/650795800.db2.gz RVXRJHLOJBHIQJ-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCC1=O ZINC001017342219 650795806 /nfs/dbraw/zinc/79/58/06/650795806.db2.gz RVXRJHLOJBHIQJ-OKILXGFUSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncn1 ZINC001017590594 650812906 /nfs/dbraw/zinc/81/29/06/650812906.db2.gz LERBZAGIGWIWPF-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncn1 ZINC001017590594 650812907 /nfs/dbraw/zinc/81/29/07/650812907.db2.gz LERBZAGIGWIWPF-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001017659534 650816663 /nfs/dbraw/zinc/81/66/63/650816663.db2.gz VDYJGJJNYDVRFJ-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001017659534 650816667 /nfs/dbraw/zinc/81/66/67/650816667.db2.gz VDYJGJJNYDVRFJ-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001017681804 650817489 /nfs/dbraw/zinc/81/74/89/650817489.db2.gz SIHXCHLRLPNDFH-AEGPPILISA-N 1 2 299.378 0.644 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001017820756 650824884 /nfs/dbraw/zinc/82/48/84/650824884.db2.gz GDHSPXKMMDNWBG-OYQDBORRSA-N 1 2 274.364 0.577 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001017820756 650824886 /nfs/dbraw/zinc/82/48/86/650824886.db2.gz GDHSPXKMMDNWBG-OYQDBORRSA-N 1 2 274.364 0.577 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001018103316 650843435 /nfs/dbraw/zinc/84/34/35/650843435.db2.gz QOSFTLIXPDSWHK-PHIMTYICSA-N 1 2 259.313 0.151 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000847483934 643524807 /nfs/dbraw/zinc/52/48/07/643524807.db2.gz JCHPISYIMVEFTR-RISCZKNCSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000847483934 643524817 /nfs/dbraw/zinc/52/48/17/643524817.db2.gz JCHPISYIMVEFTR-RISCZKNCSA-N 1 2 287.367 0.787 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1OC ZINC001018223596 650848557 /nfs/dbraw/zinc/84/85/57/650848557.db2.gz URJHDJRVMNEVFI-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1OC ZINC001018223596 650848561 /nfs/dbraw/zinc/84/85/61/650848561.db2.gz URJHDJRVMNEVFI-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001018312212 650852544 /nfs/dbraw/zinc/85/25/44/650852544.db2.gz CIVGHQUXCKWMOB-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001018312212 650852546 /nfs/dbraw/zinc/85/25/46/650852546.db2.gz CIVGHQUXCKWMOB-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018334937 650853513 /nfs/dbraw/zinc/85/35/13/650853513.db2.gz OQAAPXIHRCQZPT-TXEJJXNPSA-N 1 2 259.313 0.082 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCC#N ZINC000854025304 644171864 /nfs/dbraw/zinc/17/18/64/644171864.db2.gz LQCUFISVZNODNW-MNOVXSKESA-N 1 2 254.334 0.308 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCC#N ZINC000854025304 644171871 /nfs/dbraw/zinc/17/18/71/644171871.db2.gz LQCUFISVZNODNW-MNOVXSKESA-N 1 2 254.334 0.308 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018831320 650914147 /nfs/dbraw/zinc/91/41/47/650914147.db2.gz OGWDZDZJNOMGOB-NSHDSACASA-N 1 2 276.365 0.642 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](NCC#N)C2)c[nH+]1 ZINC001019030752 650932145 /nfs/dbraw/zinc/93/21/45/650932145.db2.gz RWYZFACQWZRFRL-LBPRGKRZSA-N 1 2 275.356 0.641 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019041416 650933385 /nfs/dbraw/zinc/93/33/85/650933385.db2.gz SZDUJHZMHHNZRB-NSHDSACASA-N 1 2 269.308 0.891 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC2(C1)OCCO2 ZINC000118974091 645007991 /nfs/dbraw/zinc/00/79/91/645007991.db2.gz FAKFPLGHLXZLQO-NSHDSACASA-N 1 2 267.329 0.196 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC2(C1)OCCO2 ZINC000118974091 645007996 /nfs/dbraw/zinc/00/79/96/645007996.db2.gz FAKFPLGHLXZLQO-NSHDSACASA-N 1 2 267.329 0.196 20 30 CCEDLO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866399153 645526841 /nfs/dbraw/zinc/52/68/41/645526841.db2.gz SULKUVYWBYRUHD-WCQYABFASA-N 1 2 275.352 0.981 20 30 CCEDLO C#CC[N@@H+](C[C@](C)(CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000876624841 646634402 /nfs/dbraw/zinc/63/44/02/646634402.db2.gz LZHKEEBYXNSFLK-OLZOCXBDSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](C[C@](C)(CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000876624841 646634404 /nfs/dbraw/zinc/63/44/04/646634404.db2.gz LZHKEEBYXNSFLK-OLZOCXBDSA-N 1 2 273.398 0.924 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888057 646994604 /nfs/dbraw/zinc/99/46/04/646994604.db2.gz JEMBCXUEWMXAJI-HNNXBMFYSA-N 1 2 297.366 0.705 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888057 646994612 /nfs/dbraw/zinc/99/46/12/646994612.db2.gz JEMBCXUEWMXAJI-HNNXBMFYSA-N 1 2 297.366 0.705 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884250254 647680554 /nfs/dbraw/zinc/68/05/54/647680554.db2.gz AKNBZKOXUFIRMT-MNUQUWEESA-N 1 2 273.340 0.303 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)c(F)c2F)N1 ZINC000884447872 647740564 /nfs/dbraw/zinc/74/05/64/647740564.db2.gz LYJBAXBRQLWEDT-LURJTMIESA-N 1 2 254.240 0.942 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886146834 647908071 /nfs/dbraw/zinc/90/80/71/647908071.db2.gz DAGZKGKTQMAZTR-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886146834 647908072 /nfs/dbraw/zinc/90/80/72/647908072.db2.gz DAGZKGKTQMAZTR-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677420 647998455 /nfs/dbraw/zinc/99/84/55/647998455.db2.gz WXVIIUQYZKSOHA-GFCCVEGCSA-N 1 2 273.340 0.686 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677420 647998460 /nfs/dbraw/zinc/99/84/60/647998460.db2.gz WXVIIUQYZKSOHA-GFCCVEGCSA-N 1 2 273.340 0.686 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000929243071 648719076 /nfs/dbraw/zinc/71/90/76/648719076.db2.gz RBFYEWXMLQTQQW-GFCCVEGCSA-N 1 2 261.325 0.789 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C[C@H](C)C#N ZINC000929473872 648743061 /nfs/dbraw/zinc/74/30/61/648743061.db2.gz GYVINFKCIFVKCC-HZSPNIEDSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)CNC(=O)CN(C)C[C@H](C)C#N ZINC000929473872 648743066 /nfs/dbraw/zinc/74/30/66/648743066.db2.gz GYVINFKCIFVKCC-HZSPNIEDSA-N 1 2 293.415 0.674 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000930866630 648918636 /nfs/dbraw/zinc/91/86/36/648918636.db2.gz DSRLAISLADJQDE-WDEREUQCSA-N 1 2 253.346 0.904 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1)C1CC1 ZINC000933905033 649148171 /nfs/dbraw/zinc/14/81/71/649148171.db2.gz AUIOQGNRWKSNEI-WFASDCNBSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1)C1CC1 ZINC000933905033 649148172 /nfs/dbraw/zinc/14/81/72/649148172.db2.gz AUIOQGNRWKSNEI-WFASDCNBSA-N 1 2 293.367 0.632 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561513 649682010 /nfs/dbraw/zinc/68/20/10/649682010.db2.gz AOKIRZMHBKSRIU-GFCCVEGCSA-N 1 2 281.356 0.586 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561513 649682013 /nfs/dbraw/zinc/68/20/13/649682013.db2.gz AOKIRZMHBKSRIU-GFCCVEGCSA-N 1 2 281.356 0.586 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092915847 649728868 /nfs/dbraw/zinc/72/88/68/649728868.db2.gz VSHSXXWWVNKEKM-UHFFFAOYSA-N 1 2 250.302 0.439 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1OCC ZINC001017377938 649813997 /nfs/dbraw/zinc/81/39/97/649813997.db2.gz ZYEBFIJKLDXQKJ-XJFOESAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1OCC ZINC001017377938 649813999 /nfs/dbraw/zinc/81/39/99/649813999.db2.gz ZYEBFIJKLDXQKJ-XJFOESAGSA-N 1 2 262.353 0.720 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230557531 805621326 /nfs/dbraw/zinc/62/13/26/805621326.db2.gz WBUAYYNBFFZJPW-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230557531 805621330 /nfs/dbraw/zinc/62/13/30/805621330.db2.gz WBUAYYNBFFZJPW-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1cnc(C#N)cn1 ZINC001104226210 790451798 /nfs/dbraw/zinc/45/17/98/790451798.db2.gz LNWBHTQJDUERJB-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266298259 790457985 /nfs/dbraw/zinc/45/79/85/790457985.db2.gz ARVNYBUTDJVWEP-LLVKDONJSA-N 1 2 277.324 0.386 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266298259 790457990 /nfs/dbraw/zinc/45/79/90/790457990.db2.gz ARVNYBUTDJVWEP-LLVKDONJSA-N 1 2 277.324 0.386 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001266315534 790493283 /nfs/dbraw/zinc/49/32/83/790493283.db2.gz XRVUOEPNOCRGFR-RYUDHWBXSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001266315534 790493289 /nfs/dbraw/zinc/49/32/89/790493289.db2.gz XRVUOEPNOCRGFR-RYUDHWBXSA-N 1 2 279.384 0.525 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCN(CC#N)C1 ZINC001266330863 790521960 /nfs/dbraw/zinc/52/19/60/790521960.db2.gz JQWYHSFABVZRHJ-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO CCCN(C(=O)CC)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266382769 790617064 /nfs/dbraw/zinc/61/70/64/790617064.db2.gz WEJIDXVGDFVPNN-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125370435 790802127 /nfs/dbraw/zinc/80/21/27/790802127.db2.gz OOSRPCIXCLCOAH-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnoc3CC)[C@H]2C1 ZINC001083210593 791046462 /nfs/dbraw/zinc/04/64/62/791046462.db2.gz JQGYFDYUVKLFRG-GXTWGEPZSA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnoc3CC)[C@H]2C1 ZINC001083210593 791046469 /nfs/dbraw/zinc/04/64/69/791046469.db2.gz JQGYFDYUVKLFRG-GXTWGEPZSA-N 1 2 291.351 0.948 20 30 CCEDLO N#Cc1ncc(NC2CN(c3cccc[nH+]3)C2)nc1C#N ZINC001161322928 791099024 /nfs/dbraw/zinc/09/90/24/791099024.db2.gz WGDVMXLSGYCDAQ-UHFFFAOYSA-N 1 2 277.291 0.916 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848784 805675099 /nfs/dbraw/zinc/67/50/99/805675099.db2.gz LARTTYKYMKPQPE-STQMWFEESA-N 1 2 284.425 0.920 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848784 805675107 /nfs/dbraw/zinc/67/51/07/805675107.db2.gz LARTTYKYMKPQPE-STQMWFEESA-N 1 2 284.425 0.920 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H](C)OC)C1 ZINC001277570966 805858638 /nfs/dbraw/zinc/85/86/38/805858638.db2.gz QFNXPMMHIDKJLZ-GFCCVEGCSA-N 1 2 270.373 0.757 20 30 CCEDLO CN1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1=O ZINC001232675497 805970458 /nfs/dbraw/zinc/97/04/58/805970458.db2.gz ANQIUZQNXBJJSN-OLZOCXBDSA-N 1 2 271.320 0.784 20 30 CCEDLO CN1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1=O ZINC001232675497 805970463 /nfs/dbraw/zinc/97/04/63/805970463.db2.gz ANQIUZQNXBJJSN-OLZOCXBDSA-N 1 2 271.320 0.784 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCN1C ZINC001233386900 806052345 /nfs/dbraw/zinc/05/23/45/806052345.db2.gz MTOOOWWTXLDVRD-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1CNCC#N ZINC001266886667 791319570 /nfs/dbraw/zinc/31/95/70/791319570.db2.gz SSNZUCFRKCFGLO-CQSZACIVSA-N 1 2 289.383 0.847 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C)c3)[C@H]2C1 ZINC001083228691 791348307 /nfs/dbraw/zinc/34/83/07/791348307.db2.gz OXSRVTKUGCUKFD-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C)c3)[C@H]2C1 ZINC001083228691 791348309 /nfs/dbraw/zinc/34/83/09/791348309.db2.gz OXSRVTKUGCUKFD-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001267194273 791654760 /nfs/dbraw/zinc/65/47/60/791654760.db2.gz MDEFKZLRKUBWKV-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001267194273 791654761 /nfs/dbraw/zinc/65/47/61/791654761.db2.gz MDEFKZLRKUBWKV-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001267211236 791680102 /nfs/dbraw/zinc/68/01/02/791680102.db2.gz PQPPVESRCUMXNZ-LBPRGKRZSA-N 1 2 281.400 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001267211236 791680110 /nfs/dbraw/zinc/68/01/10/791680110.db2.gz PQPPVESRCUMXNZ-LBPRGKRZSA-N 1 2 281.400 0.773 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@]12C[C@@H]1CCCC2)CC(=O)NCC#N ZINC001267216256 791686701 /nfs/dbraw/zinc/68/67/01/791686701.db2.gz UUWBSKXRPRLCFU-WFASDCNBSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@]12C[C@@H]1CCCC2)CC(=O)NCC#N ZINC001267216256 791686703 /nfs/dbraw/zinc/68/67/03/791686703.db2.gz UUWBSKXRPRLCFU-WFASDCNBSA-N 1 2 292.383 0.254 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc3c(n2)OCCO3)CC1 ZINC001233885880 806140314 /nfs/dbraw/zinc/14/03/14/806140314.db2.gz QYFAKVUYZCSWQR-UHFFFAOYSA-N 1 2 273.336 0.604 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925565 806147504 /nfs/dbraw/zinc/14/75/04/806147504.db2.gz JZZBLYHFVTVBNP-KBPBESRZSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925565 806147507 /nfs/dbraw/zinc/14/75/07/806147507.db2.gz JZZBLYHFVTVBNP-KBPBESRZSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001234267392 806215425 /nfs/dbraw/zinc/21/54/25/806215425.db2.gz YMNSHKFSOVEVJF-NWDGAFQWSA-N 1 2 256.321 0.527 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001234267392 806215432 /nfs/dbraw/zinc/21/54/32/806215432.db2.gz YMNSHKFSOVEVJF-NWDGAFQWSA-N 1 2 256.321 0.527 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267252487 793247690 /nfs/dbraw/zinc/24/76/90/793247690.db2.gz QGVRVWKDFPSOKX-LLVKDONJSA-N 1 2 263.345 0.550 20 30 CCEDLO CCN(CC#N)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267252487 793247704 /nfs/dbraw/zinc/24/77/04/793247704.db2.gz QGVRVWKDFPSOKX-LLVKDONJSA-N 1 2 263.345 0.550 20 30 CCEDLO Cc1cc(C[NH+]2CC3(CN(CCC#N)C3)C2)n(C)n1 ZINC001277938862 806410157 /nfs/dbraw/zinc/41/01/57/806410157.db2.gz GVMORRJWKXZRDB-UHFFFAOYSA-N 1 2 259.357 0.760 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1ncc(C)cn1 ZINC001235669936 806486335 /nfs/dbraw/zinc/48/63/35/806486335.db2.gz QOKIXWYLUUNQQX-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1ncc(C)cn1 ZINC001235669936 806486336 /nfs/dbraw/zinc/48/63/36/806486336.db2.gz QOKIXWYLUUNQQX-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237606431 806699551 /nfs/dbraw/zinc/69/95/51/806699551.db2.gz MDOMUTPHDNUGOA-UHFFFAOYSA-N 1 2 279.347 0.957 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001120705099 798917895 /nfs/dbraw/zinc/91/78/95/798917895.db2.gz AVQOVZRTJLPOAF-TUAOUCFPSA-N 1 2 292.339 0.018 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237844147 806723957 /nfs/dbraw/zinc/72/39/57/806723957.db2.gz KAIDBBZRGJMAPT-UHFFFAOYSA-N 1 2 275.308 0.654 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122483133 799246383 /nfs/dbraw/zinc/24/63/83/799246383.db2.gz SKTZLKOGFHSAJN-RISCZKNCSA-N 1 2 295.387 0.763 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122483133 799246385 /nfs/dbraw/zinc/24/63/85/799246385.db2.gz SKTZLKOGFHSAJN-RISCZKNCSA-N 1 2 295.387 0.763 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccc(C#N)nc1 ZINC001123925195 799506350 /nfs/dbraw/zinc/50/63/50/799506350.db2.gz JUFLTFBCWZFXPI-UHFFFAOYSA-N 1 2 269.308 0.588 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001124902638 799644948 /nfs/dbraw/zinc/64/49/48/799644948.db2.gz LMHDNWLNURYTQL-VIFPVBQESA-N 1 2 277.328 0.388 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c[nH]nc2C(=O)OCC)CC1 ZINC001138856929 799761974 /nfs/dbraw/zinc/76/19/74/799761974.db2.gz DBZZGFKMFBLFFW-UHFFFAOYSA-N 1 2 276.340 0.337 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001140627375 799927043 /nfs/dbraw/zinc/92/70/43/799927043.db2.gz UMBHZJICXOWGMT-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)ccc1C#N ZINC001141931844 800048495 /nfs/dbraw/zinc/04/84/95/800048495.db2.gz NHXAQVIHQLKANM-YPMHNXCESA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)ccc1C#N ZINC001141931844 800048497 /nfs/dbraw/zinc/04/84/97/800048497.db2.gz NHXAQVIHQLKANM-YPMHNXCESA-N 1 2 293.392 0.850 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001149892894 800305245 /nfs/dbraw/zinc/30/52/45/800305245.db2.gz GCOGGSZTLWYYEU-BREBYQMCSA-N 1 2 262.313 0.568 20 30 CCEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001150357517 800332294 /nfs/dbraw/zinc/33/22/94/800332294.db2.gz QNAKKEKLNHLHEC-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001150357517 800332298 /nfs/dbraw/zinc/33/22/98/800332298.db2.gz QNAKKEKLNHLHEC-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001153091575 800596317 /nfs/dbraw/zinc/59/63/17/800596317.db2.gz UKKJQYJGJAVLRY-NSHDSACASA-N 1 2 296.371 0.992 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCNC[C@@H]3C#N)sc2C1 ZINC001154217369 800742819 /nfs/dbraw/zinc/74/28/19/800742819.db2.gz XICLWXNYRYHCOJ-VIFPVBQESA-N 1 2 291.380 0.069 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCNC[C@@H]3C#N)sc2C1 ZINC001154217369 800742823 /nfs/dbraw/zinc/74/28/23/800742823.db2.gz XICLWXNYRYHCOJ-VIFPVBQESA-N 1 2 291.380 0.069 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cncc(C#N)n1 ZINC001160690624 802001575 /nfs/dbraw/zinc/00/15/75/802001575.db2.gz FZTWHTLEUFCBED-LLVKDONJSA-N 1 2 286.295 0.278 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ncccc1C#N ZINC001160690965 802002088 /nfs/dbraw/zinc/00/20/88/802002088.db2.gz KOBQPIXIMHTMJP-GFCCVEGCSA-N 1 2 285.307 0.883 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@H]2C#N)ncc1C ZINC001164650859 802775169 /nfs/dbraw/zinc/77/51/69/802775169.db2.gz DHKXMFSYMUAOBR-SNVBAGLBSA-N 1 2 260.297 0.478 20 30 CCEDLO COCC#CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001268257635 812425505 /nfs/dbraw/zinc/42/55/05/812425505.db2.gz UDBYSFPIGLRKPK-UHFFFAOYSA-N 1 2 292.383 0.232 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001268257635 812425510 /nfs/dbraw/zinc/42/55/10/812425510.db2.gz UDBYSFPIGLRKPK-UHFFFAOYSA-N 1 2 292.383 0.232 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)Cn1ccnc1C ZINC001268257635 812425522 /nfs/dbraw/zinc/42/55/22/812425522.db2.gz UDBYSFPIGLRKPK-UHFFFAOYSA-N 1 2 292.383 0.232 20 30 CCEDLO NC(=O)c1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001203440473 803027447 /nfs/dbraw/zinc/02/74/47/803027447.db2.gz CEHRPULDPLNBBK-UHFFFAOYSA-N 1 2 271.280 0.820 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276432315 803056314 /nfs/dbraw/zinc/05/63/14/803056314.db2.gz LPIBNVGYLXIGDN-IINYFYTJSA-N 1 2 267.373 0.511 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206870775 803294697 /nfs/dbraw/zinc/29/46/97/803294697.db2.gz LANVMFIWNBABSR-VXGBXAGGSA-N 1 2 297.374 0.989 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206870775 803294701 /nfs/dbraw/zinc/29/47/01/803294701.db2.gz LANVMFIWNBABSR-VXGBXAGGSA-N 1 2 297.374 0.989 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)NC(=O)C#CC1CC1 ZINC001280292135 813926979 /nfs/dbraw/zinc/92/69/79/813926979.db2.gz CEWWATYWLXKKGM-WDEREUQCSA-N 1 2 288.351 0.375 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206915864 803306080 /nfs/dbraw/zinc/30/60/80/803306080.db2.gz MUMMNDACEKBPRD-KYOSRNDESA-N 1 2 293.367 0.938 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206915864 803306088 /nfs/dbraw/zinc/30/60/88/803306088.db2.gz MUMMNDACEKBPRD-KYOSRNDESA-N 1 2 293.367 0.938 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001276539583 803415511 /nfs/dbraw/zinc/41/55/11/803415511.db2.gz DRXGPESLPPGJTK-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001276539583 803415513 /nfs/dbraw/zinc/41/55/13/803415513.db2.gz DRXGPESLPPGJTK-HOCLYGCPSA-N 1 2 294.395 0.738 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208731180 803543564 /nfs/dbraw/zinc/54/35/64/803543564.db2.gz IRNFYFZEUKXKQS-FDYHWXHSSA-N 1 2 292.383 0.109 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208731180 803543567 /nfs/dbraw/zinc/54/35/67/803543567.db2.gz IRNFYFZEUKXKQS-FDYHWXHSSA-N 1 2 292.383 0.109 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@H](OC)C1 ZINC001213487991 803696155 /nfs/dbraw/zinc/69/61/55/803696155.db2.gz PKCQFIGQNUWENV-BFHYXJOUSA-N 1 2 292.379 0.252 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@H](OC)C1 ZINC001213487991 803696157 /nfs/dbraw/zinc/69/61/57/803696157.db2.gz PKCQFIGQNUWENV-BFHYXJOUSA-N 1 2 292.379 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CSCCC)[C@H]2C1 ZINC001217405133 803890975 /nfs/dbraw/zinc/89/09/75/803890975.db2.gz CTGOCTIWDTVGKC-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSCCC)[C@H]2C1 ZINC001217405133 803890984 /nfs/dbraw/zinc/89/09/84/803890984.db2.gz CTGOCTIWDTVGKC-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCCC=C)[C@H]2C1 ZINC001217468861 803892295 /nfs/dbraw/zinc/89/22/95/803892295.db2.gz DHVQCVPCADWAQI-SOUVJXGZSA-N 1 2 292.379 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCCC=C)[C@H]2C1 ZINC001217468861 803892301 /nfs/dbraw/zinc/89/23/01/803892301.db2.gz DHVQCVPCADWAQI-SOUVJXGZSA-N 1 2 292.379 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217586440 803897435 /nfs/dbraw/zinc/89/74/35/803897435.db2.gz XXTTXBIUJHSPNI-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217586440 803897444 /nfs/dbraw/zinc/89/74/44/803897444.db2.gz XXTTXBIUJHSPNI-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217838968 803918697 /nfs/dbraw/zinc/91/86/97/803918697.db2.gz AGUKGFQDYCIYNK-UONOGXRCSA-N 1 2 274.364 0.581 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217838968 803918704 /nfs/dbraw/zinc/91/87/04/803918704.db2.gz AGUKGFQDYCIYNK-UONOGXRCSA-N 1 2 274.364 0.581 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(C#N)c1F ZINC001218913207 804154487 /nfs/dbraw/zinc/15/44/87/804154487.db2.gz JLWOLGAFMJAUJV-QMMMGPOBSA-N 1 2 283.234 0.665 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@@H](O)C1 ZINC001219560570 804350566 /nfs/dbraw/zinc/35/05/66/804350566.db2.gz HIIQZGIYZNVTRZ-XQQFMLRXSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@@H](O)C1 ZINC001219560570 804350574 /nfs/dbraw/zinc/35/05/74/804350574.db2.gz HIIQZGIYZNVTRZ-XQQFMLRXSA-N 1 2 252.358 0.607 20 30 CCEDLO Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591790 804363125 /nfs/dbraw/zinc/36/31/25/804363125.db2.gz UUYBDTMEMCWRAW-KGLIPLIRSA-N 1 2 289.335 0.058 20 30 CCEDLO Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591790 804363135 /nfs/dbraw/zinc/36/31/35/804363135.db2.gz UUYBDTMEMCWRAW-KGLIPLIRSA-N 1 2 289.335 0.058 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178919 804527302 /nfs/dbraw/zinc/52/73/02/804527302.db2.gz ZHTQHCXHLGPIQX-MJBXVCDLSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178919 804527307 /nfs/dbraw/zinc/52/73/07/804527307.db2.gz ZHTQHCXHLGPIQX-MJBXVCDLSA-N 1 2 294.395 0.234 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)CCC1 ZINC001220192584 804534162 /nfs/dbraw/zinc/53/41/62/804534162.db2.gz SVACUAGXQVIEFN-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)CCC1 ZINC001220192584 804534166 /nfs/dbraw/zinc/53/41/66/804534166.db2.gz SVACUAGXQVIEFN-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)C1 ZINC001220314863 804571594 /nfs/dbraw/zinc/57/15/94/804571594.db2.gz JYCTXUGBMKFWKT-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)C1 ZINC001220314863 804571598 /nfs/dbraw/zinc/57/15/98/804571598.db2.gz JYCTXUGBMKFWKT-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243296 804755281 /nfs/dbraw/zinc/75/52/81/804755281.db2.gz HNAWYJXOJGZVJV-RAIGVLPGSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001221243296 804755287 /nfs/dbraw/zinc/75/52/87/804755287.db2.gz HNAWYJXOJGZVJV-RAIGVLPGSA-N 1 2 299.802 0.796 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@](C)(C#N)CC(C)C ZINC001221292637 804768563 /nfs/dbraw/zinc/76/85/63/804768563.db2.gz PWISGLOTCPWSHT-CABZTGNLSA-N 1 2 255.318 0.321 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 ZINC001221722251 804838005 /nfs/dbraw/zinc/83/80/05/804838005.db2.gz KMURWGJQWNZAHC-CHWSQXEVSA-N 1 2 289.335 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 ZINC001221722251 804838013 /nfs/dbraw/zinc/83/80/13/804838013.db2.gz KMURWGJQWNZAHC-CHWSQXEVSA-N 1 2 289.335 0.471 20 30 CCEDLO COC(=O)c1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226320194 805218359 /nfs/dbraw/zinc/21/83/59/805218359.db2.gz WMPDMUHRZOCNKS-VSSGSJIUSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226320194 805218367 /nfs/dbraw/zinc/21/83/67/805218367.db2.gz WMPDMUHRZOCNKS-VSSGSJIUSA-N 1 2 290.319 0.859 20 30 CCEDLO Cn1nncc1C[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227289843 805339644 /nfs/dbraw/zinc/33/96/44/805339644.db2.gz KVJDMCOFUKCGFG-UHFFFAOYSA-N 1 2 287.367 0.309 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnnc(=S)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228642002 805461377 /nfs/dbraw/zinc/46/13/77/805461377.db2.gz LQEZFUFEAFGXCP-WQDSJKFHSA-N 1 2 266.326 0.152 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnnc(=S)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228642002 805461381 /nfs/dbraw/zinc/46/13/81/805461381.db2.gz LQEZFUFEAFGXCP-WQDSJKFHSA-N 1 2 266.326 0.152 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001277323600 805470859 /nfs/dbraw/zinc/47/08/59/805470859.db2.gz CEFUTGKTWZUPOR-MNOVXSKESA-N 1 2 299.321 0.066 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001277323600 805470869 /nfs/dbraw/zinc/47/08/69/805470869.db2.gz CEFUTGKTWZUPOR-MNOVXSKESA-N 1 2 299.321 0.066 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232502 807194393 /nfs/dbraw/zinc/19/43/93/807194393.db2.gz XBRBZOVJMVHSKT-AGIUHOORSA-N 1 2 277.299 0.883 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126815931 815132290 /nfs/dbraw/zinc/13/22/90/815132290.db2.gz PYYAYNDUZQOPMS-UHFFFAOYSA-N 1 2 252.343 0.403 20 30 CCEDLO N#CCN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251018694 807643530 /nfs/dbraw/zinc/64/35/30/807643530.db2.gz KYLGEFRWNPXKKG-INIZCTEOSA-N 1 2 289.379 0.705 20 30 CCEDLO N#Cc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1F ZINC001251027826 807646484 /nfs/dbraw/zinc/64/64/84/807646484.db2.gz TWRFGQDMNDEHPE-GFCCVEGCSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(O)c1 ZINC001251028547 807647752 /nfs/dbraw/zinc/64/77/52/807647752.db2.gz IVWUYLREPMMAFY-GFCCVEGCSA-N 1 2 277.324 0.369 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001126827936 815140641 /nfs/dbraw/zinc/14/06/41/815140641.db2.gz GJYKXMHMOYMTJF-UHFFFAOYSA-N 1 2 286.282 0.872 20 30 CCEDLO C#CCOC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001251863756 807727952 /nfs/dbraw/zinc/72/79/52/807727952.db2.gz LSCZOSDOQPPKKQ-LBPRGKRZSA-N 1 2 259.309 0.996 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001251881663 807732114 /nfs/dbraw/zinc/73/21/14/807732114.db2.gz ZGFSQLNDTVKQMW-GHMZBOCLSA-N 1 2 257.330 0.174 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)[C@@H](O)C1 ZINC001083483366 815153567 /nfs/dbraw/zinc/15/35/67/815153567.db2.gz SRPBRSLKUQOCEJ-NEPJUHHUSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)[C@@H](O)C1 ZINC001083483366 815153568 /nfs/dbraw/zinc/15/35/68/815153568.db2.gz SRPBRSLKUQOCEJ-NEPJUHHUSA-N 1 2 292.310 0.242 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252493167 807893052 /nfs/dbraw/zinc/89/30/52/807893052.db2.gz NGSOCZVIYXKFDD-OLZOCXBDSA-N 1 2 271.357 0.871 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC001252559302 807910869 /nfs/dbraw/zinc/91/08/69/807910869.db2.gz VGLRIEBPWTYLHF-CMPLNLGQSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC001252559302 807910872 /nfs/dbraw/zinc/91/08/72/807910872.db2.gz VGLRIEBPWTYLHF-CMPLNLGQSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@@H](O)C[NH2+]Cc1ncc(S(=O)(=O)CC)cn1 ZINC001252620794 807921954 /nfs/dbraw/zinc/92/19/54/807921954.db2.gz ZMBINRPEEGXHHZ-LLVKDONJSA-N 1 2 299.396 0.687 20 30 CCEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144583 808012214 /nfs/dbraw/zinc/01/22/14/808012214.db2.gz CRPRQUWETRRAJR-HUUCEWRRSA-N 1 2 290.363 0.807 20 30 CCEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144583 808012220 /nfs/dbraw/zinc/01/22/20/808012220.db2.gz CRPRQUWETRRAJR-HUUCEWRRSA-N 1 2 290.363 0.807 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cn1 ZINC001038495010 815200588 /nfs/dbraw/zinc/20/05/88/815200588.db2.gz BPDKTIQVEPTWOZ-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cn1 ZINC001038495010 815200593 /nfs/dbraw/zinc/20/05/93/815200593.db2.gz BPDKTIQVEPTWOZ-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088830937 815231085 /nfs/dbraw/zinc/23/10/85/815231085.db2.gz MJTQHUVVJYEMAA-OCCSQVGLSA-N 1 2 285.347 0.102 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC#Cc1ccccc1 ZINC001088830937 815231087 /nfs/dbraw/zinc/23/10/87/815231087.db2.gz MJTQHUVVJYEMAA-OCCSQVGLSA-N 1 2 285.347 0.102 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001261694713 809056920 /nfs/dbraw/zinc/05/69/20/809056920.db2.gz XHEJTTIJWPHOED-LLVKDONJSA-N 1 2 274.324 0.634 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncnc1)O2 ZINC001261815007 809095152 /nfs/dbraw/zinc/09/51/52/809095152.db2.gz MDVLFFZKBPVOTI-CYBMUJFWSA-N 1 2 288.351 0.626 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCOC ZINC001262947119 809423966 /nfs/dbraw/zinc/42/39/66/809423966.db2.gz FUNYGGGJGOKILL-RYUDHWBXSA-N 1 2 295.387 0.284 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCOC ZINC001262947119 809423970 /nfs/dbraw/zinc/42/39/70/809423970.db2.gz FUNYGGGJGOKILL-RYUDHWBXSA-N 1 2 295.387 0.284 20 30 CCEDLO C#CCN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC ZINC001263045001 809428744 /nfs/dbraw/zinc/42/87/44/809428744.db2.gz KSZMJRUIRNUSJC-UHFFFAOYSA-N 1 2 291.399 0.572 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)COC ZINC001264365256 809643746 /nfs/dbraw/zinc/64/37/46/809643746.db2.gz UEISYNAGUWOUFN-CQSZACIVSA-N 1 2 296.411 0.842 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)COC ZINC001264365256 809643751 /nfs/dbraw/zinc/64/37/51/809643751.db2.gz UEISYNAGUWOUFN-CQSZACIVSA-N 1 2 296.411 0.842 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CCN1CC#N ZINC001264375182 809647163 /nfs/dbraw/zinc/64/71/63/809647163.db2.gz VYFOIMBZTRFOPQ-AAEUAGOBSA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CCN1CC#N ZINC001264375182 809647166 /nfs/dbraw/zinc/64/71/66/809647166.db2.gz VYFOIMBZTRFOPQ-AAEUAGOBSA-N 1 2 275.356 0.645 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(C)C)C1 ZINC001265201665 809721856 /nfs/dbraw/zinc/72/18/56/809721856.db2.gz ULVDJGVWQUJVQU-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)C)C1 ZINC001265201665 809721861 /nfs/dbraw/zinc/72/18/61/809721861.db2.gz ULVDJGVWQUJVQU-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO COCC#CCN1CC[NH+](CCNC(=O)CC2CC2)CC1 ZINC001265255932 809732187 /nfs/dbraw/zinc/73/21/87/809732187.db2.gz HBPVIDITRRQBGJ-UHFFFAOYSA-N 1 2 293.411 0.170 20 30 CCEDLO COCC#CC[NH+]1CCN(CCNC(=O)CC2CC2)CC1 ZINC001265255932 809732191 /nfs/dbraw/zinc/73/21/91/809732191.db2.gz HBPVIDITRRQBGJ-UHFFFAOYSA-N 1 2 293.411 0.170 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001265406765 809773021 /nfs/dbraw/zinc/77/30/21/809773021.db2.gz GDLYGHXAERDMNL-TXEJJXNPSA-N 1 2 286.322 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001265406765 809773023 /nfs/dbraw/zinc/77/30/23/809773023.db2.gz GDLYGHXAERDMNL-TXEJJXNPSA-N 1 2 286.322 0.967 20 30 CCEDLO C#CC[NH2+]CCOCCN(C)C(=O)C(F)C(F)(F)F ZINC001279416453 809978209 /nfs/dbraw/zinc/97/82/09/809978209.db2.gz WNHNYTBEVMMQCK-VIFPVBQESA-N 1 2 284.253 0.585 20 30 CCEDLO C#CC[NH2+]CCOCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001279416453 809978211 /nfs/dbraw/zinc/97/82/11/809978211.db2.gz WNHNYTBEVMMQCK-VIFPVBQESA-N 1 2 284.253 0.585 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)C(C)(C)F)C1 ZINC001279462175 809981386 /nfs/dbraw/zinc/98/13/86/809981386.db2.gz OWMNWKMQFZKCPO-ZDUSSCGKSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C(C)(C)F)C1 ZINC001279462175 809981390 /nfs/dbraw/zinc/98/13/90/809981390.db2.gz OWMNWKMQFZKCPO-ZDUSSCGKSA-N 1 2 256.321 0.311 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC(N)=O)CC1 ZINC001279527894 809985727 /nfs/dbraw/zinc/98/57/27/809985727.db2.gz KCTPIRPCABUUSK-UHFFFAOYSA-N 1 2 271.748 0.363 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC(N)=O)CC1 ZINC001279527894 809985732 /nfs/dbraw/zinc/98/57/32/809985732.db2.gz KCTPIRPCABUUSK-UHFFFAOYSA-N 1 2 271.748 0.363 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC1CCOCC1 ZINC001280399799 810014318 /nfs/dbraw/zinc/01/43/18/810014318.db2.gz RJCNVPMEUQWWNC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CCOCC1 ZINC001280399799 810014321 /nfs/dbraw/zinc/01/43/21/810014321.db2.gz RJCNVPMEUQWWNC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001076939803 815418976 /nfs/dbraw/zinc/41/89/76/815418976.db2.gz XALCCCKUCOESEZ-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001076939803 815418981 /nfs/dbraw/zinc/41/89/81/815418981.db2.gz XALCCCKUCOESEZ-VXGBXAGGSA-N 1 2 262.309 0.250 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001058562576 811320900 /nfs/dbraw/zinc/32/09/00/811320900.db2.gz NJQJLGBSVNDZFG-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nncs2)[nH]1 ZINC001125783764 811340426 /nfs/dbraw/zinc/34/04/26/811340426.db2.gz RYZJXDIAPDSYCJ-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC#N)C1 ZINC001267539912 811421891 /nfs/dbraw/zinc/42/18/91/811421891.db2.gz VQXVYNSOMOSIRX-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC#N)C1 ZINC001267539912 811421894 /nfs/dbraw/zinc/42/18/94/811421894.db2.gz VQXVYNSOMOSIRX-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083563837 815446819 /nfs/dbraw/zinc/44/68/19/815446819.db2.gz FZACBNVNAOPINV-ZNMIVQPWSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083563837 815446823 /nfs/dbraw/zinc/44/68/23/815446823.db2.gz FZACBNVNAOPINV-ZNMIVQPWSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC001098592741 811429495 /nfs/dbraw/zinc/42/94/95/811429495.db2.gz YAWCAACVMWWSGP-CYBMUJFWSA-N 1 2 273.340 0.184 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000694662953 811496207 /nfs/dbraw/zinc/49/62/07/811496207.db2.gz COXHCTCBEWPFMQ-UHFFFAOYSA-N 1 2 264.300 0.874 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000694662953 811496216 /nfs/dbraw/zinc/49/62/16/811496216.db2.gz COXHCTCBEWPFMQ-UHFFFAOYSA-N 1 2 264.300 0.874 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648493 811546018 /nfs/dbraw/zinc/54/60/18/811546018.db2.gz VLESBRJIKYLHAW-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614589 811566537 /nfs/dbraw/zinc/56/65/37/811566537.db2.gz ODSWWPPTCFFDHN-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614589 811566543 /nfs/dbraw/zinc/56/65/43/811566543.db2.gz ODSWWPPTCFFDHN-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267680734 811644718 /nfs/dbraw/zinc/64/47/18/811644718.db2.gz VHRVYXDNPINXHZ-CYBMUJFWSA-N 1 2 291.395 0.385 20 30 CCEDLO C#CCCCCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001267680347 811644916 /nfs/dbraw/zinc/64/49/16/811644916.db2.gz YXEHUMSMFNMXEV-UHFFFAOYSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCC(=C)C)C1 ZINC001267684409 811649458 /nfs/dbraw/zinc/64/94/58/811649458.db2.gz WFQYLKWHWJHBBG-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267696384 811662146 /nfs/dbraw/zinc/66/21/46/811662146.db2.gz FDLNZMBHWMZKHB-LBPRGKRZSA-N 1 2 275.356 0.151 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267696384 811662149 /nfs/dbraw/zinc/66/21/49/811662149.db2.gz FDLNZMBHWMZKHB-LBPRGKRZSA-N 1 2 275.356 0.151 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267734352 811704032 /nfs/dbraw/zinc/70/40/32/811704032.db2.gz FHGJPOKMEJLRBY-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267734352 811704035 /nfs/dbraw/zinc/70/40/35/811704035.db2.gz FHGJPOKMEJLRBY-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001077274818 815470565 /nfs/dbraw/zinc/47/05/65/815470565.db2.gz FLUWWUWJYHJEAU-CHWSQXEVSA-N 1 2 290.367 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001077274818 815470568 /nfs/dbraw/zinc/47/05/68/815470568.db2.gz FLUWWUWJYHJEAU-CHWSQXEVSA-N 1 2 290.367 0.046 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001077268069 815471019 /nfs/dbraw/zinc/47/10/19/815471019.db2.gz OUAGJMBOXOADEJ-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001077268069 815471025 /nfs/dbraw/zinc/47/10/25/815471025.db2.gz OUAGJMBOXOADEJ-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC3)C2)nn1 ZINC001105132939 811854906 /nfs/dbraw/zinc/85/49/06/811854906.db2.gz HCSIPMFNAUMQJH-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136992 811855040 /nfs/dbraw/zinc/85/50/40/811855040.db2.gz PVGZDCXTICBVBW-UHFFFAOYSA-N 1 2 275.356 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3=CCCC3)C2)nn1 ZINC001105211699 811864544 /nfs/dbraw/zinc/86/45/44/811864544.db2.gz WBJNFOPQKKWLKR-UHFFFAOYSA-N 1 2 299.378 0.885 20 30 CCEDLO O=C(C#CC1CC1)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105233080 811869561 /nfs/dbraw/zinc/86/95/61/811869561.db2.gz HDXLPETZQUTHDR-UHFFFAOYSA-N 1 2 291.330 0.134 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001125938495 811897449 /nfs/dbraw/zinc/89/74/49/811897449.db2.gz CNPJQSXRHHLWBB-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)CC)C2)nn1 ZINC001105300705 811898238 /nfs/dbraw/zinc/89/82/38/811898238.db2.gz BCRVMXDPQSLCKJ-ZDUSSCGKSA-N 1 2 293.346 0.522 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038375839 811942577 /nfs/dbraw/zinc/94/25/77/811942577.db2.gz OMXXLQZSKPOFMV-LLVKDONJSA-N 1 2 296.321 0.976 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038375839 811942582 /nfs/dbraw/zinc/94/25/82/811942582.db2.gz OMXXLQZSKPOFMV-LLVKDONJSA-N 1 2 296.321 0.976 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268006211 811943287 /nfs/dbraw/zinc/94/32/87/811943287.db2.gz XTQFUVNWORYFPV-VXGBXAGGSA-N 1 2 263.345 0.700 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CCC4)C2)nn1 ZINC001105335015 811946199 /nfs/dbraw/zinc/94/61/99/811946199.db2.gz REOBLRBJLGQTSV-AWEZNQCLSA-N 1 2 299.378 0.574 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](CC(=C)C)CCO1 ZINC001268019013 811962662 /nfs/dbraw/zinc/96/26/62/811962662.db2.gz OHKVKMALMFRHKJ-ZDUSSCGKSA-N 1 2 268.357 0.582 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001268019013 811962663 /nfs/dbraw/zinc/96/26/63/811962663.db2.gz OHKVKMALMFRHKJ-ZDUSSCGKSA-N 1 2 268.357 0.582 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cnc(C)o2)C1 ZINC001268024954 811990368 /nfs/dbraw/zinc/99/03/68/811990368.db2.gz NESUSNAPJDSSHX-CQSZACIVSA-N 1 2 293.367 0.919 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cnc(C)o2)C1 ZINC001268024954 811990371 /nfs/dbraw/zinc/99/03/71/811990371.db2.gz NESUSNAPJDSSHX-CQSZACIVSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2nccc2C)C1 ZINC001268024958 811990605 /nfs/dbraw/zinc/99/06/05/811990605.db2.gz FBUDJTDKUFQCQZ-ZDUSSCGKSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cn2nccc2C)C1 ZINC001268024958 811990610 /nfs/dbraw/zinc/99/06/10/811990610.db2.gz FBUDJTDKUFQCQZ-ZDUSSCGKSA-N 1 2 278.356 0.195 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC1(C)C ZINC001268234779 812395712 /nfs/dbraw/zinc/39/57/12/812395712.db2.gz NOGVQOUCDGGOKL-LLVKDONJSA-N 1 2 280.372 0.062 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC1(C)C ZINC001268234779 812395721 /nfs/dbraw/zinc/39/57/21/812395721.db2.gz NOGVQOUCDGGOKL-LLVKDONJSA-N 1 2 280.372 0.062 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cn(C)nc2C)C1 ZINC001268258532 812424477 /nfs/dbraw/zinc/42/44/77/812424477.db2.gz CVTYLIWHINHAFZ-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001028328452 812621236 /nfs/dbraw/zinc/62/12/36/812621236.db2.gz QQPXZDLHLIKMKK-OLZOCXBDSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001028328452 812621242 /nfs/dbraw/zinc/62/12/42/812621242.db2.gz QQPXZDLHLIKMKK-OLZOCXBDSA-N 1 2 298.408 0.168 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)OC[C@H]2CCCO2)C1 ZINC001268491457 812679481 /nfs/dbraw/zinc/67/94/81/812679481.db2.gz INJHKZKOGRZPKU-GXTWGEPZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCOCC(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001268491463 812682025 /nfs/dbraw/zinc/68/20/25/812682025.db2.gz IOVNDOMZCRFBFL-NSHDSACASA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001126383156 812841773 /nfs/dbraw/zinc/84/17/73/812841773.db2.gz FTJXHVPBXADCJS-RNCFNFMXSA-N 1 2 282.344 0.472 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001083398365 812938349 /nfs/dbraw/zinc/93/83/49/812938349.db2.gz BGKBEOYGWYOVKC-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](O)C1 ZINC001083398365 812938356 /nfs/dbraw/zinc/93/83/56/812938356.db2.gz BGKBEOYGWYOVKC-OLZOCXBDSA-N 1 2 277.299 0.019 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028636586 813074068 /nfs/dbraw/zinc/07/40/68/813074068.db2.gz CUOBZLMRCKWGRJ-QWHCGFSZSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)CC)C1 ZINC001268867911 813124694 /nfs/dbraw/zinc/12/46/94/813124694.db2.gz WGHFKUSCOOUOIP-GFCCVEGCSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001268945034 813153758 /nfs/dbraw/zinc/15/37/58/813153758.db2.gz WZSLOVZREMIVFZ-QWHCGFSZSA-N 1 2 272.352 0.569 20 30 CCEDLO C#CC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001268945034 813153763 /nfs/dbraw/zinc/15/37/63/813153763.db2.gz WZSLOVZREMIVFZ-QWHCGFSZSA-N 1 2 272.352 0.569 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001269023778 813179556 /nfs/dbraw/zinc/17/95/56/813179556.db2.gz ZTAQFUFXXJYWCC-AWEZNQCLSA-N 1 2 293.411 0.609 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001269023778 813179560 /nfs/dbraw/zinc/17/95/60/813179560.db2.gz ZTAQFUFXXJYWCC-AWEZNQCLSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC001269019366 813179982 /nfs/dbraw/zinc/17/99/82/813179982.db2.gz YEKVPJFWOVJHLM-ZDUSSCGKSA-N 1 2 291.351 0.315 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC001269019366 813179988 /nfs/dbraw/zinc/17/99/88/813179988.db2.gz YEKVPJFWOVJHLM-ZDUSSCGKSA-N 1 2 291.351 0.315 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001269196750 813258197 /nfs/dbraw/zinc/25/81/97/813258197.db2.gz YJZTVWGDSMYLJO-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001269196750 813258199 /nfs/dbraw/zinc/25/81/99/813258199.db2.gz YJZTVWGDSMYLJO-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001269210773 813270003 /nfs/dbraw/zinc/27/00/03/813270003.db2.gz NWIMALGEQFQRBU-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001269210773 813270007 /nfs/dbraw/zinc/27/00/07/813270007.db2.gz NWIMALGEQFQRBU-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001269278955 813303808 /nfs/dbraw/zinc/30/38/08/813303808.db2.gz SHPCKQCXOLWDPN-CYBMUJFWSA-N 1 2 273.336 0.456 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001269278955 813303816 /nfs/dbraw/zinc/30/38/16/813303816.db2.gz SHPCKQCXOLWDPN-CYBMUJFWSA-N 1 2 273.336 0.456 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001269278140 813304989 /nfs/dbraw/zinc/30/49/89/813304989.db2.gz CLWKLJXQMCKKDA-VXGBXAGGSA-N 1 2 265.357 0.244 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001269278140 813304996 /nfs/dbraw/zinc/30/49/96/813304996.db2.gz CLWKLJXQMCKKDA-VXGBXAGGSA-N 1 2 265.357 0.244 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001269568739 813425052 /nfs/dbraw/zinc/42/50/52/813425052.db2.gz CSZCGGCALFUMAR-CHWSQXEVSA-N 1 2 288.351 0.730 20 30 CCEDLO N#CCNCC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001269805305 813513527 /nfs/dbraw/zinc/51/35/27/813513527.db2.gz WSVVEFSQPDSYHN-CYBMUJFWSA-N 1 2 275.356 0.625 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)COCC(F)F)C1 ZINC001270663950 813881284 /nfs/dbraw/zinc/88/12/84/813881284.db2.gz BMYMIDANVFZNOH-JTQLQIEISA-N 1 2 278.299 0.271 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)COCC(F)F)C1 ZINC001270663950 813881294 /nfs/dbraw/zinc/88/12/94/813881294.db2.gz BMYMIDANVFZNOH-JTQLQIEISA-N 1 2 278.299 0.271 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211879713 814222163 /nfs/dbraw/zinc/22/21/63/814222163.db2.gz BMNMCJVUXIPFLT-MGPQQGTHSA-N 1 2 282.384 0.498 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211879713 814222171 /nfs/dbraw/zinc/22/21/71/814222171.db2.gz BMNMCJVUXIPFLT-MGPQQGTHSA-N 1 2 282.384 0.498 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001271275810 814363311 /nfs/dbraw/zinc/36/33/11/814363311.db2.gz FVCGAPICQYOHMQ-ZIAGYGMSSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)/C=C(\C)CC)C1 ZINC001271276716 814363538 /nfs/dbraw/zinc/36/35/38/814363538.db2.gz VIUJTHJRJPQEIT-XYOKQWHBSA-N 1 2 250.342 0.529 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001271298261 814368590 /nfs/dbraw/zinc/36/85/90/814368590.db2.gz YOVQFARAKARTCM-QWHCGFSZSA-N 1 2 280.368 0.130 20 30 CCEDLO CC#CCCCC(=O)NCC1(O)C[NH+](CCOC(C)C)C1 ZINC001271336016 814383659 /nfs/dbraw/zinc/38/36/59/814383659.db2.gz SQFHKXGHWJZHMW-UHFFFAOYSA-N 1 2 296.411 0.768 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001271351159 814388322 /nfs/dbraw/zinc/38/83/22/814388322.db2.gz VTEIZLCRGBZBFN-YPMHNXCESA-N 1 2 270.373 0.132 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnnc1C ZINC001038460608 814468813 /nfs/dbraw/zinc/46/88/13/814468813.db2.gz XAFKKMPOKJUWKY-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnnc1C ZINC001038460608 814468819 /nfs/dbraw/zinc/46/88/19/814468819.db2.gz XAFKKMPOKJUWKY-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001271984212 814662942 /nfs/dbraw/zinc/66/29/42/814662942.db2.gz ZXWNJPCDEGDZGI-CQSZACIVSA-N 1 2 296.346 0.682 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001271984212 814662945 /nfs/dbraw/zinc/66/29/45/814662945.db2.gz ZXWNJPCDEGDZGI-CQSZACIVSA-N 1 2 296.346 0.682 20 30 CCEDLO N#CCN[C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433887 814685820 /nfs/dbraw/zinc/68/58/20/814685820.db2.gz IOKJOUQWJNUHDF-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO C=CCCOCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105890500 815953885 /nfs/dbraw/zinc/95/38/85/815953885.db2.gz RXRFWIXESQJHHF-GFCCVEGCSA-N 1 2 294.355 0.267 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCOC)c2C)C1 ZINC001030308027 815969355 /nfs/dbraw/zinc/96/93/55/815969355.db2.gz MWYMUMVRAIDOAF-UHFFFAOYSA-N 1 2 292.383 0.828 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001030316440 815973001 /nfs/dbraw/zinc/97/30/01/815973001.db2.gz GYVKGNNUSSZZGW-ZDUSSCGKSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccncc2C)C1 ZINC001030318223 815974344 /nfs/dbraw/zinc/97/43/44/815974344.db2.gz GFEYVVLFLKPZBH-UHFFFAOYSA-N 1 2 257.337 0.756 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001030428850 816034925 /nfs/dbraw/zinc/03/49/25/816034925.db2.gz FQTSCDMGFVYPRS-NSHDSACASA-N 1 2 265.357 0.279 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001030430173 816036319 /nfs/dbraw/zinc/03/63/19/816036319.db2.gz BJVYPJBSXKLGED-UHFFFAOYSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001030552100 816103007 /nfs/dbraw/zinc/10/30/07/816103007.db2.gz FBIQXNHNESVONZ-LBPRGKRZSA-N 1 2 286.379 0.647 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001030552100 816103012 /nfs/dbraw/zinc/10/30/12/816103012.db2.gz FBIQXNHNESVONZ-LBPRGKRZSA-N 1 2 286.379 0.647 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2COCCN2CC)C1 ZINC001030572873 816115428 /nfs/dbraw/zinc/11/54/28/816115428.db2.gz AKUABDFJKZHLEQ-CYBMUJFWSA-N 1 2 267.373 0.084 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001030721008 816248845 /nfs/dbraw/zinc/24/88/45/816248845.db2.gz IJMRYEUJXJEEDR-CHWSQXEVSA-N 1 2 272.352 0.347 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2C(N)=O)C1 ZINC001030777559 816285110 /nfs/dbraw/zinc/28/51/10/816285110.db2.gz CCONKMGAZBEBKX-UHFFFAOYSA-N 1 2 285.347 0.152 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001030849927 816344956 /nfs/dbraw/zinc/34/49/56/816344956.db2.gz NQUBGJHXOWFJGY-CYBMUJFWSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030899122 816407536 /nfs/dbraw/zinc/40/75/36/816407536.db2.gz ZRBSBHHYHDZJPS-YPMHNXCESA-N 1 2 250.342 0.768 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030978573 816526981 /nfs/dbraw/zinc/52/69/81/816526981.db2.gz MRKMYNRQADFLRJ-ZNMIVQPWSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001031028720 816580631 /nfs/dbraw/zinc/58/06/31/816580631.db2.gz TXARUTKUHAGBOB-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(N)=O ZINC001099203587 816691428 /nfs/dbraw/zinc/69/14/28/816691428.db2.gz NZXKGGNZADRHSU-SNVBAGLBSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(N)=O ZINC001099203587 816691433 /nfs/dbraw/zinc/69/14/33/816691433.db2.gz NZXKGGNZADRHSU-SNVBAGLBSA-N 1 2 287.791 0.831 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001031270962 816918519 /nfs/dbraw/zinc/91/85/19/816918519.db2.gz PUCKOWHOXSRXEU-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](CC)OC)C2)cn1 ZINC001031279372 816923934 /nfs/dbraw/zinc/92/39/34/816923934.db2.gz AJVAIFNPHOSHKR-HNNXBMFYSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2OCC)C1 ZINC001031337508 816989494 /nfs/dbraw/zinc/98/94/94/816989494.db2.gz YCPUFLJBKHPNLB-UHFFFAOYSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001031366399 817004444 /nfs/dbraw/zinc/00/44/44/817004444.db2.gz MOTLGCAEBREGDR-UHFFFAOYSA-N 1 2 277.368 0.069 20 30 CCEDLO Cn1cncc1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619428 817188362 /nfs/dbraw/zinc/18/83/62/817188362.db2.gz XACAGAYPSNWJRQ-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001038070948 817308194 /nfs/dbraw/zinc/30/81/94/817308194.db2.gz UBWGXBYYYGYJIB-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001038070948 817308203 /nfs/dbraw/zinc/30/82/03/817308203.db2.gz UBWGXBYYYGYJIB-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307131 817360924 /nfs/dbraw/zinc/36/09/24/817360924.db2.gz VIEJFWWFCTVBFY-OPRDCNLKSA-N 1 2 296.264 0.726 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307131 817360931 /nfs/dbraw/zinc/36/09/31/817360931.db2.gz VIEJFWWFCTVBFY-OPRDCNLKSA-N 1 2 296.264 0.726 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031987064 817523633 /nfs/dbraw/zinc/52/36/33/817523633.db2.gz RKKOUFNLWLMJHZ-NEPJUHHUSA-N 1 2 256.321 0.595 20 30 CCEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001124635861 817531469 /nfs/dbraw/zinc/53/14/69/817531469.db2.gz BHMSVOBKXFENOS-JTQLQIEISA-N 1 2 282.344 0.949 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272725367 817612246 /nfs/dbraw/zinc/61/22/46/817612246.db2.gz BGEKBMIFEVVUDP-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272725367 817612249 /nfs/dbraw/zinc/61/22/49/817612249.db2.gz BGEKBMIFEVVUDP-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124888891 817614667 /nfs/dbraw/zinc/61/46/67/817614667.db2.gz MUISIUZFGNCUFC-SECBINFHSA-N 1 2 250.302 0.602 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1O ZINC001032287293 817783461 /nfs/dbraw/zinc/78/34/61/817783461.db2.gz CECBTQWMRMYXFI-RYUDHWBXSA-N 1 2 256.305 0.924 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1O ZINC001032287293 817783468 /nfs/dbraw/zinc/78/34/68/817783468.db2.gz CECBTQWMRMYXFI-RYUDHWBXSA-N 1 2 256.305 0.924 20 30 CCEDLO N#Cc1nccnc1NC/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001107312641 817830124 /nfs/dbraw/zinc/83/01/24/817830124.db2.gz RZACBLYMYCURNN-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)C(C)(C)C ZINC001032320511 817857471 /nfs/dbraw/zinc/85/74/71/817857471.db2.gz LTHIBTYLECMGCB-RYUDHWBXSA-N 1 2 262.353 0.910 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)C(C)(C)C ZINC001032320511 817857480 /nfs/dbraw/zinc/85/74/80/817857480.db2.gz LTHIBTYLECMGCB-RYUDHWBXSA-N 1 2 262.353 0.910 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032329332 817879291 /nfs/dbraw/zinc/87/92/91/817879291.db2.gz IOWGALKWEADSDV-QWRGUYRKSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032329332 817879301 /nfs/dbraw/zinc/87/93/01/817879301.db2.gz IOWGALKWEADSDV-QWRGUYRKSA-N 1 2 259.284 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001077660344 817952220 /nfs/dbraw/zinc/95/22/20/817952220.db2.gz ZGYKGRAMBCIPTQ-IJLUTSLNSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001077660344 817952222 /nfs/dbraw/zinc/95/22/22/817952222.db2.gz ZGYKGRAMBCIPTQ-IJLUTSLNSA-N 1 2 286.322 0.606 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnns2)C1 ZINC001107771306 817996276 /nfs/dbraw/zinc/99/62/76/817996276.db2.gz LDFYUTKFAFPHEK-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnns2)C1 ZINC001107771306 817996281 /nfs/dbraw/zinc/99/62/81/817996281.db2.gz LDFYUTKFAFPHEK-LBPRGKRZSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799727 818019597 /nfs/dbraw/zinc/01/95/97/818019597.db2.gz LCMCDBVGORVVGM-OCCSQVGLSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)OC)C1 ZINC001107799727 818019605 /nfs/dbraw/zinc/01/96/05/818019605.db2.gz LCMCDBVGORVVGM-OCCSQVGLSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cocn2)C1 ZINC001107812682 818028302 /nfs/dbraw/zinc/02/83/02/818028302.db2.gz BJRJFHHMFONXPN-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cocn2)C1 ZINC001107812682 818028311 /nfs/dbraw/zinc/02/83/11/818028311.db2.gz BJRJFHHMFONXPN-ZDUSSCGKSA-N 1 2 265.313 0.681 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(CC)nc1C ZINC001032819228 818064193 /nfs/dbraw/zinc/06/41/93/818064193.db2.gz OWGFRVBSHUZKOH-STQMWFEESA-N 1 2 287.367 0.528 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(CC)nc1C ZINC001032819228 818064203 /nfs/dbraw/zinc/06/42/03/818064203.db2.gz OWGFRVBSHUZKOH-STQMWFEESA-N 1 2 287.367 0.528 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001043442877 818081109 /nfs/dbraw/zinc/08/11/09/818081109.db2.gz ZFVMNJZITPEABT-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089976696 818107161 /nfs/dbraw/zinc/10/71/61/818107161.db2.gz PPLWZGZDPXJJIS-HUUCEWRRSA-N 1 2 273.336 0.630 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089976696 818107164 /nfs/dbraw/zinc/10/71/64/818107164.db2.gz PPLWZGZDPXJJIS-HUUCEWRRSA-N 1 2 273.336 0.630 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032928038 818362396 /nfs/dbraw/zinc/36/23/96/818362396.db2.gz CUXYEZYERHBFTB-NWDGAFQWSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032928038 818362402 /nfs/dbraw/zinc/36/24/02/818362402.db2.gz CUXYEZYERHBFTB-NWDGAFQWSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055639 818472825 /nfs/dbraw/zinc/47/28/25/818472825.db2.gz ZJDIHPWFKYKBCD-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055639 818472829 /nfs/dbraw/zinc/47/28/29/818472829.db2.gz ZJDIHPWFKYKBCD-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033059241 818474373 /nfs/dbraw/zinc/47/43/73/818474373.db2.gz XGSLMOFGOBTELH-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033059241 818474379 /nfs/dbraw/zinc/47/43/79/818474379.db2.gz XGSLMOFGOBTELH-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](O)C1 ZINC001083826492 818495888 /nfs/dbraw/zinc/49/58/88/818495888.db2.gz WGAOQZXUOPPWIA-MNOVXSKESA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](O)C1 ZINC001083826492 818495890 /nfs/dbraw/zinc/49/58/90/818495890.db2.gz WGAOQZXUOPPWIA-MNOVXSKESA-N 1 2 265.313 0.198 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001033123452 818550391 /nfs/dbraw/zinc/55/03/91/818550391.db2.gz JRRNLTDKGPWBFL-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001033123452 818550399 /nfs/dbraw/zinc/55/03/99/818550399.db2.gz JRRNLTDKGPWBFL-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@@H](O)C1 ZINC001083843108 818573551 /nfs/dbraw/zinc/57/35/51/818573551.db2.gz RYYDBAYNYLSNEE-UPJWGTAASA-N 1 2 276.336 0.486 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@@H](O)C1 ZINC001083843108 818573561 /nfs/dbraw/zinc/57/35/61/818573561.db2.gz RYYDBAYNYLSNEE-UPJWGTAASA-N 1 2 276.336 0.486 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccncc1O)C2 ZINC001273081770 818582151 /nfs/dbraw/zinc/58/21/51/818582151.db2.gz YOWUQJVMEYTTHQ-UHFFFAOYSA-N 1 2 289.335 0.386 20 30 CCEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC#N)C1 ZINC001033206848 818649757 /nfs/dbraw/zinc/64/97/57/818649757.db2.gz LDSHHPAZMXXCPL-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033322535 818709580 /nfs/dbraw/zinc/70/95/80/818709580.db2.gz MZZQXSVAWJAEEY-CQSZACIVSA-N 1 2 285.347 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033322535 818709584 /nfs/dbraw/zinc/70/95/84/818709584.db2.gz MZZQXSVAWJAEEY-CQSZACIVSA-N 1 2 285.347 0.300 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001033342147 818726716 /nfs/dbraw/zinc/72/67/16/818726716.db2.gz SECQPBLKVRYBAI-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001033342147 818726722 /nfs/dbraw/zinc/72/67/22/818726722.db2.gz SECQPBLKVRYBAI-VXGBXAGGSA-N 1 2 299.802 0.750 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001033673827 818880276 /nfs/dbraw/zinc/88/02/76/818880276.db2.gz GJRAROTYLGZJAP-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001033673827 818880278 /nfs/dbraw/zinc/88/02/78/818880278.db2.gz GJRAROTYLGZJAP-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnns2)C1 ZINC001033760281 818917615 /nfs/dbraw/zinc/91/76/15/818917615.db2.gz KCCLIQXOKPXDNI-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnns2)C1 ZINC001033760281 818917620 /nfs/dbraw/zinc/91/76/20/818917620.db2.gz KCCLIQXOKPXDNI-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO Cc1nsc(NC2CC[NH+](CC(N)=O)CC2)c1C#N ZINC000701209312 818923313 /nfs/dbraw/zinc/92/33/13/818923313.db2.gz IGWCEVJMRUKAIV-UHFFFAOYSA-N 1 2 279.369 0.685 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108134804 819275748 /nfs/dbraw/zinc/27/57/48/819275748.db2.gz VKRKRFJOURVKCC-KCQAQPDRSA-N 1 2 264.369 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108134804 819275751 /nfs/dbraw/zinc/27/57/51/819275751.db2.gz VKRKRFJOURVKCC-KCQAQPDRSA-N 1 2 264.369 0.873 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035288418 819436568 /nfs/dbraw/zinc/43/65/68/819436568.db2.gz IKAQBCFLSIEGHT-LBPRGKRZSA-N 1 2 250.298 0.896 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035288418 819436572 /nfs/dbraw/zinc/43/65/72/819436572.db2.gz IKAQBCFLSIEGHT-LBPRGKRZSA-N 1 2 250.298 0.896 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035293389 819440391 /nfs/dbraw/zinc/44/03/91/819440391.db2.gz LYANQNLMTZYONM-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035293389 819440398 /nfs/dbraw/zinc/44/03/98/819440398.db2.gz LYANQNLMTZYONM-CYBMUJFWSA-N 1 2 290.367 0.182 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001035296799 819441884 /nfs/dbraw/zinc/44/18/84/819441884.db2.gz PVBIBOSGJVXYGZ-ZDUSSCGKSA-N 1 2 288.347 0.846 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001035296799 819441886 /nfs/dbraw/zinc/44/18/86/819441886.db2.gz PVBIBOSGJVXYGZ-ZDUSSCGKSA-N 1 2 288.347 0.846 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035314418 819465358 /nfs/dbraw/zinc/46/53/58/819465358.db2.gz XEKUGZVIXWAVLB-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035314418 819465362 /nfs/dbraw/zinc/46/53/62/819465362.db2.gz XEKUGZVIXWAVLB-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035337698 819478872 /nfs/dbraw/zinc/47/88/72/819478872.db2.gz LAERFFZCQMMGRH-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001035337698 819478876 /nfs/dbraw/zinc/47/88/76/819478876.db2.gz LAERFFZCQMMGRH-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2csnc2C)C1 ZINC001035343490 819482010 /nfs/dbraw/zinc/48/20/10/819482010.db2.gz XALWTORLEHPWHI-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2csnc2C)C1 ZINC001035343490 819482018 /nfs/dbraw/zinc/48/20/18/819482018.db2.gz XALWTORLEHPWHI-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035401311 819507695 /nfs/dbraw/zinc/50/76/95/819507695.db2.gz YVMUFKQNTNAVAV-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035401311 819507699 /nfs/dbraw/zinc/50/76/99/819507699.db2.gz YVMUFKQNTNAVAV-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccsn2)C1 ZINC001035411334 819518706 /nfs/dbraw/zinc/51/87/06/819518706.db2.gz KXYIUFAQWABXMY-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccsn2)C1 ZINC001035411334 819518711 /nfs/dbraw/zinc/51/87/11/819518711.db2.gz KXYIUFAQWABXMY-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](CC=C)CCO2)c1 ZINC001035499162 819541065 /nfs/dbraw/zinc/54/10/65/819541065.db2.gz CYUPUUHSDJVVTN-OAHLLOKOSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCO2)c1 ZINC001035499162 819541067 /nfs/dbraw/zinc/54/10/67/819541067.db2.gz CYUPUUHSDJVVTN-OAHLLOKOSA-N 1 2 285.347 0.680 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035515759 819545623 /nfs/dbraw/zinc/54/56/23/819545623.db2.gz JHNINKZEYSESNY-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035515759 819545629 /nfs/dbraw/zinc/54/56/29/819545629.db2.gz JHNINKZEYSESNY-GFCCVEGCSA-N 1 2 278.356 0.643 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)CCc1nc[nH]n1)CC2 ZINC001035682080 819603581 /nfs/dbraw/zinc/60/35/81/819603581.db2.gz PDQOZJUJMVBEEY-UHFFFAOYSA-N 1 2 287.367 0.295 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1NCC#N ZINC001036002715 819665118 /nfs/dbraw/zinc/66/51/18/819665118.db2.gz BYXMCXJOGSHGGJ-NEPJUHHUSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001036127468 819695149 /nfs/dbraw/zinc/69/51/49/819695149.db2.gz UNLOJUCQOQNWLR-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108185831 820099109 /nfs/dbraw/zinc/09/91/09/820099109.db2.gz GADYPFBIMPQCJN-GOEBONIOSA-N 1 2 296.411 0.888 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108185831 820099119 /nfs/dbraw/zinc/09/91/19/820099119.db2.gz GADYPFBIMPQCJN-GOEBONIOSA-N 1 2 296.411 0.888 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079503456 820408286 /nfs/dbraw/zinc/40/82/86/820408286.db2.gz KKHPOBHPYIGRFO-PSASIEDQSA-N 1 2 295.774 0.861 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC001079503456 820408290 /nfs/dbraw/zinc/40/82/90/820408290.db2.gz KKHPOBHPYIGRFO-PSASIEDQSA-N 1 2 295.774 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001079642585 820448267 /nfs/dbraw/zinc/44/82/67/820448267.db2.gz FWBCVXCDINWSIQ-QNSHHTMESA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001079642585 820448271 /nfs/dbraw/zinc/44/82/71/820448271.db2.gz FWBCVXCDINWSIQ-QNSHHTMESA-N 1 2 287.747 0.284 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001079677561 820449027 /nfs/dbraw/zinc/44/90/27/820449027.db2.gz YBBJPCVUURGHSY-ZYHUDNBSSA-N 1 2 275.356 0.115 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001079677561 820449031 /nfs/dbraw/zinc/44/90/31/820449031.db2.gz YBBJPCVUURGHSY-ZYHUDNBSSA-N 1 2 275.356 0.115 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001080419566 820573910 /nfs/dbraw/zinc/57/39/10/820573910.db2.gz BPJCYOMROAODJA-NSHDSACASA-N 1 2 289.339 0.102 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H](OC)C1 ZINC001081963076 820868413 /nfs/dbraw/zinc/86/84/13/820868413.db2.gz FUKGCVZOGXIFTE-RGCMKSIDSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H](OC)C1 ZINC001081963076 820868422 /nfs/dbraw/zinc/86/84/22/820868422.db2.gz FUKGCVZOGXIFTE-RGCMKSIDSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H](OC)C1 ZINC001082075508 820894849 /nfs/dbraw/zinc/89/48/49/820894849.db2.gz WKPTXDJUTOARAQ-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H](OC)C1 ZINC001082075508 820894862 /nfs/dbraw/zinc/89/48/62/820894862.db2.gz WKPTXDJUTOARAQ-HUUCEWRRSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@H](OC)C1 ZINC001082342644 820939344 /nfs/dbraw/zinc/93/93/44/820939344.db2.gz YNWDFBCFZDEJIX-HUUCEWRRSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@H](OC)C1 ZINC001082342644 820939351 /nfs/dbraw/zinc/93/93/51/820939351.db2.gz YNWDFBCFZDEJIX-HUUCEWRRSA-N 1 2 288.347 0.757 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC001082796973 821033836 /nfs/dbraw/zinc/03/38/36/821033836.db2.gz XBDSVDBABFQAIP-NQBHXWOUSA-N 1 2 275.356 0.548 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](NCC#N)C1 ZINC001082796973 821033847 /nfs/dbraw/zinc/03/38/47/821033847.db2.gz XBDSVDBABFQAIP-NQBHXWOUSA-N 1 2 275.356 0.548 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncoc3C)[C@H]2C1 ZINC001083018637 821110146 /nfs/dbraw/zinc/11/01/46/821110146.db2.gz YGILEYKVAOGEFS-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncoc3C)[C@H]2C1 ZINC001083018637 821110152 /nfs/dbraw/zinc/11/01/52/821110152.db2.gz YGILEYKVAOGEFS-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(OC)n3)[C@H]2C1 ZINC001083154954 821149386 /nfs/dbraw/zinc/14/93/86/821149386.db2.gz WROXSSKPTWBQNF-NWDGAFQWSA-N 1 2 293.323 0.394 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(OC)n3)[C@H]2C1 ZINC001083154954 821149389 /nfs/dbraw/zinc/14/93/89/821149389.db2.gz WROXSSKPTWBQNF-NWDGAFQWSA-N 1 2 293.323 0.394 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3conc3C)[C@H]2C1 ZINC001083182426 821160940 /nfs/dbraw/zinc/16/09/40/821160940.db2.gz DJUSDLKSTLAUJD-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3conc3C)[C@H]2C1 ZINC001083182426 821160945 /nfs/dbraw/zinc/16/09/45/821160945.db2.gz DJUSDLKSTLAUJD-UONOGXRCSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](O)C1 ZINC001083973631 821175872 /nfs/dbraw/zinc/17/58/72/821175872.db2.gz RIVFGSGHDZFGIE-TUVASFSCSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](O)C1 ZINC001083973631 821175875 /nfs/dbraw/zinc/17/58/75/821175875.db2.gz RIVFGSGHDZFGIE-TUVASFSCSA-N 1 2 278.396 0.997 20 30 CCEDLO Cc1nnn([NH+]=C[C@@H]2CCN(c3cnn(C)c3)C2)c1C ZINC001119357376 821179722 /nfs/dbraw/zinc/17/97/22/821179722.db2.gz GNTDXJWVURYJCL-LBPRGKRZSA-N 1 2 273.344 0.989 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccnc3c2)[C@@H](O)C1 ZINC001084037365 821180091 /nfs/dbraw/zinc/18/00/91/821180091.db2.gz SJILLXUFCWZWLS-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccnc3c2)[C@@H](O)C1 ZINC001084037365 821180096 /nfs/dbraw/zinc/18/00/96/821180096.db2.gz SJILLXUFCWZWLS-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cn1 ZINC001084232973 821250443 /nfs/dbraw/zinc/25/04/43/821250443.db2.gz ONSTZZGNVSPING-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cn1 ZINC001084232973 821250447 /nfs/dbraw/zinc/25/04/47/821250447.db2.gz ONSTZZGNVSPING-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333188 821274047 /nfs/dbraw/zinc/27/40/47/821274047.db2.gz GXFAVBITHROPDV-GDBMZVCRSA-N 1 2 298.390 0.866 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333188 821274053 /nfs/dbraw/zinc/27/40/53/821274053.db2.gz GXFAVBITHROPDV-GDBMZVCRSA-N 1 2 298.390 0.866 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)ccc3=O)[C@@H]2C1 ZINC001084509390 821304319 /nfs/dbraw/zinc/30/43/19/821304319.db2.gz XDRBFBJOKNOBFD-TZMCWYRMSA-N 1 2 285.347 0.165 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)ccc3=O)[C@@H]2C1 ZINC001084509390 821304327 /nfs/dbraw/zinc/30/43/27/821304327.db2.gz XDRBFBJOKNOBFD-TZMCWYRMSA-N 1 2 285.347 0.165 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000820491547 821443878 /nfs/dbraw/zinc/44/38/78/821443878.db2.gz CPQRXVCSYSMHER-CQSZACIVSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000820491547 821443884 /nfs/dbraw/zinc/44/38/84/821443884.db2.gz CPQRXVCSYSMHER-CQSZACIVSA-N 1 2 290.363 1.000 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000712276470 821448119 /nfs/dbraw/zinc/44/81/19/821448119.db2.gz IRLOPEWYDUXKRZ-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000712276470 821448122 /nfs/dbraw/zinc/44/81/22/821448122.db2.gz IRLOPEWYDUXKRZ-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccnc1C#N ZINC000712278147 821495307 /nfs/dbraw/zinc/49/53/07/821495307.db2.gz WMJXNHVHJNGSIE-JTQLQIEISA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccnc1C#N ZINC000712278147 821495309 /nfs/dbraw/zinc/49/53/09/821495309.db2.gz WMJXNHVHJNGSIE-JTQLQIEISA-N 1 2 280.353 0.326 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnc2n1CCOC2 ZINC001120278334 821531076 /nfs/dbraw/zinc/53/10/76/821531076.db2.gz YGPBZQYUFZZZHL-NSHDSACASA-N 1 2 259.313 0.946 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065679929 821579721 /nfs/dbraw/zinc/57/97/21/821579721.db2.gz DCCFESMTLWNOAS-CQSZACIVSA-N 1 2 279.384 0.718 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085565737 821798577 /nfs/dbraw/zinc/79/85/77/821798577.db2.gz RKPQLCSQVTWJBE-CQSZACIVSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001085565737 821798584 /nfs/dbraw/zinc/79/85/84/821798584.db2.gz RKPQLCSQVTWJBE-CQSZACIVSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085592480 821838032 /nfs/dbraw/zinc/83/80/32/821838032.db2.gz LABDLDSLRGKUGU-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085592480 821838044 /nfs/dbraw/zinc/83/80/44/821838044.db2.gz LABDLDSLRGKUGU-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085598929 821841062 /nfs/dbraw/zinc/84/10/62/821841062.db2.gz DGEWCYIWDMMIDR-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085598929 821841071 /nfs/dbraw/zinc/84/10/71/821841071.db2.gz DGEWCYIWDMMIDR-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC=C)nn1 ZINC001085862964 821985288 /nfs/dbraw/zinc/98/52/88/821985288.db2.gz NEDLARCYOZDLBE-CYBMUJFWSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC=C)nn1 ZINC001085862964 821985298 /nfs/dbraw/zinc/98/52/98/821985298.db2.gz NEDLARCYOZDLBE-CYBMUJFWSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2nc(C)nn21 ZINC001085922744 822017629 /nfs/dbraw/zinc/01/76/29/822017629.db2.gz JEBFWGBAVHVLMC-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc2nc(C)nn21 ZINC001085922744 822017634 /nfs/dbraw/zinc/01/76/34/822017634.db2.gz JEBFWGBAVHVLMC-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCCF)C2)CC1 ZINC001273375716 822028087 /nfs/dbraw/zinc/02/80/87/822028087.db2.gz SAAGUZVNQZHUAN-HNNXBMFYSA-N 1 2 295.402 0.978 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114198478 837473476 /nfs/dbraw/zinc/47/34/76/837473476.db2.gz CKQUTJXVWCSXIG-NHAGDIPZSA-N 1 2 287.367 0.165 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114198478 837473484 /nfs/dbraw/zinc/47/34/84/837473484.db2.gz CKQUTJXVWCSXIG-NHAGDIPZSA-N 1 2 287.367 0.165 20 30 CCEDLO COCCn1ccc2c1ncnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156320204 836280455 /nfs/dbraw/zinc/28/04/55/836280455.db2.gz UHLNRCWHYUNQET-NSHDSACASA-N 1 2 286.339 0.379 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCC)CC2=O)C1 ZINC001108496457 836318267 /nfs/dbraw/zinc/31/82/67/836318267.db2.gz KLNOGSKLBRRADG-LLVKDONJSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C=C)CC2=O)C1 ZINC001108560333 836448571 /nfs/dbraw/zinc/44/85/71/836448571.db2.gz JTKXGEPUNFUARI-GFCCVEGCSA-N 1 2 291.395 0.786 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762720 836520547 /nfs/dbraw/zinc/52/05/47/836520547.db2.gz AQGRLTLEQZTHCX-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762720 836520555 /nfs/dbraw/zinc/52/05/55/836520555.db2.gz AQGRLTLEQZTHCX-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001109080549 836612603 /nfs/dbraw/zinc/61/26/03/836612603.db2.gz XMTPCPSPDKMMBL-RFHZTLPTSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001109080549 836612605 /nfs/dbraw/zinc/61/26/05/836612605.db2.gz XMTPCPSPDKMMBL-RFHZTLPTSA-N 1 2 287.367 0.801 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109605546 836707685 /nfs/dbraw/zinc/70/76/85/836707685.db2.gz HPMDFEVSMVVOJW-NDKCEZKHSA-N 1 2 289.379 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109605546 836707694 /nfs/dbraw/zinc/70/76/94/836707694.db2.gz HPMDFEVSMVVOJW-NDKCEZKHSA-N 1 2 289.379 0.113 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnnc(C)c2)CC1 ZINC001112792281 836915169 /nfs/dbraw/zinc/91/51/69/836915169.db2.gz NWGIUEQFFAXOTC-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCn2ccnn2)CC1 ZINC001112958689 836981893 /nfs/dbraw/zinc/98/18/93/836981893.db2.gz GURKXZNEKBJJLK-UHFFFAOYSA-N 1 2 263.345 0.389 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC001113063648 837013984 /nfs/dbraw/zinc/01/39/84/837013984.db2.gz LGVSLLYDLZQKPH-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001113126199 837030809 /nfs/dbraw/zinc/03/08/09/837030809.db2.gz BOLUDZGGXJQTRN-ZIAGYGMSSA-N 1 2 282.384 0.758 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018289 838300277 /nfs/dbraw/zinc/30/02/77/838300277.db2.gz WIFGXIIUYFUHCK-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018289 838300280 /nfs/dbraw/zinc/30/02/80/838300280.db2.gz WIFGXIIUYFUHCK-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132054984 838307540 /nfs/dbraw/zinc/30/75/40/838307540.db2.gz VUZKEGFZXRWHCS-VXGBXAGGSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132054984 838307544 /nfs/dbraw/zinc/30/75/44/838307544.db2.gz VUZKEGFZXRWHCS-VXGBXAGGSA-N 1 2 292.383 0.395 20 30 CCEDLO N#Cc1cccnc1NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001110356617 844338012 /nfs/dbraw/zinc/33/80/12/844338012.db2.gz FJDPPTJCGKMVHU-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO C=CCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001133154355 838562151 /nfs/dbraw/zinc/56/21/51/838562151.db2.gz GTLRLSSFYODZQW-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nonc2C)C1 ZINC001133569996 838669348 /nfs/dbraw/zinc/66/93/48/838669348.db2.gz HYXZJCGOCRKDFB-UHFFFAOYSA-N 1 2 264.329 0.940 20 30 CCEDLO C=CC[NH2+]CCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001170803007 839183326 /nfs/dbraw/zinc/18/33/26/839183326.db2.gz YRWCQPCDUZNVDU-UHFFFAOYSA-N 1 2 288.355 0.706 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nccnc2SC)CC1 ZINC001136863019 839784771 /nfs/dbraw/zinc/78/47/71/839784771.db2.gz LFKIZMBWMWQAEZ-UHFFFAOYSA-N 1 2 290.392 0.980 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nccnc2SC)CC1 ZINC001136863019 839784777 /nfs/dbraw/zinc/78/47/77/839784777.db2.gz LFKIZMBWMWQAEZ-UHFFFAOYSA-N 1 2 290.392 0.980 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001144409104 840035984 /nfs/dbraw/zinc/03/59/84/840035984.db2.gz GZQMWFGQWNMOMK-MNOVXSKESA-N 1 2 296.396 0.550 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nncs2)cn1 ZINC001148389096 840790102 /nfs/dbraw/zinc/79/01/02/840790102.db2.gz BEWBEWFQGKBJOZ-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1cc(C)ncc1C#N ZINC001093777061 841467949 /nfs/dbraw/zinc/46/79/49/841467949.db2.gz SOLMAURLOFUNGT-UHFFFAOYSA-N 1 2 298.350 0.486 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccncc1C#N ZINC001094188757 841562705 /nfs/dbraw/zinc/56/27/05/841562705.db2.gz MQJKBDSLCMAMNU-NSHDSACASA-N 1 2 298.350 0.505 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccncc1C#N ZINC001094188757 841562707 /nfs/dbraw/zinc/56/27/07/841562707.db2.gz MQJKBDSLCMAMNU-NSHDSACASA-N 1 2 298.350 0.505 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001094406715 841636976 /nfs/dbraw/zinc/63/69/76/841636976.db2.gz JMWUEKPGICOICH-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)C)CC2=O)C1 ZINC001094704439 841711581 /nfs/dbraw/zinc/71/15/81/841711581.db2.gz VHRHZRORGYLMMQ-LLVKDONJSA-N 1 2 265.357 0.230 20 30 CCEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NCC#N)CC1 ZINC001172884616 841980967 /nfs/dbraw/zinc/98/09/67/841980967.db2.gz UTHHAZCJASKTLN-UHFFFAOYSA-N 1 2 253.346 0.906 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)C(=O)OC ZINC001173752160 842146437 /nfs/dbraw/zinc/14/64/37/842146437.db2.gz OLRSMZRVQKCBDG-WOPDTQHZSA-N 1 2 277.328 0.311 20 30 CCEDLO C=C(C)CC[N@@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001176076357 842310159 /nfs/dbraw/zinc/31/01/59/842310159.db2.gz FJYDFWQCUXWYRF-UHFFFAOYSA-N 1 2 263.345 0.762 20 30 CCEDLO C=C(C)CC[N@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001176076357 842310172 /nfs/dbraw/zinc/31/01/72/842310172.db2.gz FJYDFWQCUXWYRF-UHFFFAOYSA-N 1 2 263.345 0.762 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@H]21 ZINC001176876512 842435353 /nfs/dbraw/zinc/43/53/53/842435353.db2.gz OJKCIDGIRRETQX-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@H]21 ZINC001176876512 842435359 /nfs/dbraw/zinc/43/53/59/842435359.db2.gz OJKCIDGIRRETQX-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO CC(C)C[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)NO ZINC001176884006 842441717 /nfs/dbraw/zinc/44/17/17/842441717.db2.gz SRWUOZDBVRQHKI-JTQLQIEISA-N 1 2 268.317 0.310 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176990091 842479348 /nfs/dbraw/zinc/47/93/48/842479348.db2.gz ZALFDGIVTUWYLW-UONOGXRCSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176990091 842479351 /nfs/dbraw/zinc/47/93/51/842479351.db2.gz ZALFDGIVTUWYLW-UONOGXRCSA-N 1 2 280.368 0.084 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177087705 842504669 /nfs/dbraw/zinc/50/46/69/842504669.db2.gz FUWGUMJCDNKFNW-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177087705 842504673 /nfs/dbraw/zinc/50/46/73/842504673.db2.gz FUWGUMJCDNKFNW-ZIAGYGMSSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177087704 842504896 /nfs/dbraw/zinc/50/48/96/842504896.db2.gz FUWGUMJCDNKFNW-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177087704 842504904 /nfs/dbraw/zinc/50/49/04/842504904.db2.gz FUWGUMJCDNKFNW-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)/C(=N\OC)c2ccco2)CC1 ZINC001177350118 842561259 /nfs/dbraw/zinc/56/12/59/842561259.db2.gz JKLGYGJGQFIVBI-SQFISAMPSA-N 1 2 277.324 0.960 20 30 CCEDLO C[C@H](C(=O)N=C(N)c1ccc(C(N)=O)cc1)n1cc[nH+]c1 ZINC001177928979 842715687 /nfs/dbraw/zinc/71/56/87/842715687.db2.gz FOAZTGRSQOYCCW-SECBINFHSA-N 1 2 285.307 0.475 20 30 CCEDLO C#Cc1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1 ZINC001179472938 843006042 /nfs/dbraw/zinc/00/60/42/843006042.db2.gz FSJVRFQLBCWTRP-UHFFFAOYSA-N 1 2 293.330 0.699 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001181644787 843550565 /nfs/dbraw/zinc/55/05/65/843550565.db2.gz XRLVNCFJWSFMDB-LLVKDONJSA-N 1 2 280.328 0.271 20 30 CCEDLO C#CC(C)(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001182634296 843868517 /nfs/dbraw/zinc/86/85/17/843868517.db2.gz PZVMRDPBEXDKOO-UHFFFAOYSA-N 1 2 290.367 0.813 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CO)C(F)(F)F)CC1 ZINC001183284036 844002848 /nfs/dbraw/zinc/00/28/48/844002848.db2.gz RWNASFQOXPUUJW-VIFPVBQESA-N 1 2 266.263 0.487 20 30 CCEDLO C=C(Cl)C[NH2+]CCN(CC)C(=O)C1=NC(=O)N(C)C1 ZINC001273588547 845249465 /nfs/dbraw/zinc/24/94/65/845249465.db2.gz PLHDTODBFXUGRA-UHFFFAOYSA-N 1 2 286.763 0.930 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C#N)c2F)C1 ZINC001190557753 845428384 /nfs/dbraw/zinc/42/83/84/845428384.db2.gz VTSRANPXSQZECX-LLVKDONJSA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C#N)c2F)C1 ZINC001190557753 845428388 /nfs/dbraw/zinc/42/83/88/845428388.db2.gz VTSRANPXSQZECX-LLVKDONJSA-N 1 2 277.299 0.758 20 30 CCEDLO N#Cc1ccc(F)c(S(=O)(=O)N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001190642500 845454872 /nfs/dbraw/zinc/45/48/72/845454872.db2.gz IMBWKDRHOBZJCO-NSHDSACASA-N 1 2 295.339 0.776 20 30 CCEDLO N#Cc1ccc(F)c(S(=O)(=O)N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001190642500 845454879 /nfs/dbraw/zinc/45/48/79/845454879.db2.gz IMBWKDRHOBZJCO-NSHDSACASA-N 1 2 295.339 0.776 20 30 CCEDLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191855380 845740793 /nfs/dbraw/zinc/74/07/93/845740793.db2.gz ZPOQQPLHRHEXIO-JMJZKYOTSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191855380 845740799 /nfs/dbraw/zinc/74/07/99/845740799.db2.gz ZPOQQPLHRHEXIO-JMJZKYOTSA-N 1 2 294.380 0.273 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 ZINC001192259038 845810869 /nfs/dbraw/zinc/81/08/69/845810869.db2.gz ZGXMFRFQCCDDHQ-UTUOFQBUSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 ZINC001192259038 845810871 /nfs/dbraw/zinc/81/08/71/845810871.db2.gz ZGXMFRFQCCDDHQ-UTUOFQBUSA-N 1 2 270.398 0.313 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192547088 845866282 /nfs/dbraw/zinc/86/62/82/845866282.db2.gz LVSZHUMTCYHUMU-VXJBGCPUSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192547088 845866287 /nfs/dbraw/zinc/86/62/87/845866287.db2.gz LVSZHUMTCYHUMU-VXJBGCPUSA-N 1 2 288.775 0.227 20 30 CCEDLO N#CCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001192963977 845955980 /nfs/dbraw/zinc/95/59/80/845955980.db2.gz YQYNRENNJSKIRW-UHFFFAOYSA-N 1 2 254.315 0.373 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001193182982 846027218 /nfs/dbraw/zinc/02/72/18/846027218.db2.gz VERYMJCTGQLQHH-VIFPVBQESA-N 1 2 281.328 0.549 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CCF ZINC001193185413 846028413 /nfs/dbraw/zinc/02/84/13/846028413.db2.gz IMBANMIHJFXPMB-MRVPVSSYSA-N 1 2 260.294 0.184 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001193344956 846058649 /nfs/dbraw/zinc/05/86/49/846058649.db2.gz JIQHQVPVUUZKTL-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001193344956 846058658 /nfs/dbraw/zinc/05/86/58/846058658.db2.gz JIQHQVPVUUZKTL-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001195038842 846443577 /nfs/dbraw/zinc/44/35/77/846443577.db2.gz VEVOANSPLVDWMJ-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001195038842 846443579 /nfs/dbraw/zinc/44/35/79/846443579.db2.gz VEVOANSPLVDWMJ-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321216 846492455 /nfs/dbraw/zinc/49/24/55/846492455.db2.gz FRFGARQHAFNPHL-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321216 846492458 /nfs/dbraw/zinc/49/24/58/846492458.db2.gz FRFGARQHAFNPHL-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321217 846492559 /nfs/dbraw/zinc/49/25/59/846492559.db2.gz FRFGARQHAFNPHL-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195321217 846492563 /nfs/dbraw/zinc/49/25/63/846492563.db2.gz FRFGARQHAFNPHL-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 ZINC001195501474 846553151 /nfs/dbraw/zinc/55/31/51/846553151.db2.gz LRRGYFKBOSABOH-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 ZINC001195501474 846553155 /nfs/dbraw/zinc/55/31/55/846553155.db2.gz LRRGYFKBOSABOH-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195567699 846584597 /nfs/dbraw/zinc/58/45/97/846584597.db2.gz RHXVQSGDGJRWEK-IJLUTSLNSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195567699 846584604 /nfs/dbraw/zinc/58/46/04/846584604.db2.gz RHXVQSGDGJRWEK-IJLUTSLNSA-N 1 2 258.337 0.720 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780901 846622324 /nfs/dbraw/zinc/62/23/24/846622324.db2.gz NHFNFFFQPXLFSS-GFCCVEGCSA-N 1 2 279.384 0.444 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780901 846622327 /nfs/dbraw/zinc/62/23/27/846622327.db2.gz NHFNFFFQPXLFSS-GFCCVEGCSA-N 1 2 279.384 0.444 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1ncccc1C#N ZINC001196561418 846776167 /nfs/dbraw/zinc/77/61/67/846776167.db2.gz RUZOBFFCGOLAJH-UHFFFAOYSA-N 1 2 285.307 0.726 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203241798 846841729 /nfs/dbraw/zinc/84/17/29/846841729.db2.gz UAKNDRKSFKQQIN-CHWSQXEVSA-N 1 2 287.367 0.814 20 30 CCEDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001197787811 846964015 /nfs/dbraw/zinc/96/40/15/846964015.db2.gz WUPJJBFSCBKLIG-LLVKDONJSA-N 1 2 287.367 0.966 20 30 CCEDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001197787811 846964026 /nfs/dbraw/zinc/96/40/26/846964026.db2.gz WUPJJBFSCBKLIG-LLVKDONJSA-N 1 2 287.367 0.966 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001197940627 847007056 /nfs/dbraw/zinc/00/70/56/847007056.db2.gz BLCODCWRQAWRDO-RBSFLKMASA-N 1 2 288.347 0.169 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001197940627 847007065 /nfs/dbraw/zinc/00/70/65/847007065.db2.gz BLCODCWRQAWRDO-RBSFLKMASA-N 1 2 288.347 0.169 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001198193681 847069902 /nfs/dbraw/zinc/06/99/02/847069902.db2.gz NBNSPYCQTQPCBV-NXEZZACHSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001198193681 847069911 /nfs/dbraw/zinc/06/99/11/847069911.db2.gz NBNSPYCQTQPCBV-NXEZZACHSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2C)C1 ZINC001198298974 847081903 /nfs/dbraw/zinc/08/19/03/847081903.db2.gz SFKYSXPXUBICIC-ZIAGYGMSSA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccccc2C)C1 ZINC001198298974 847081908 /nfs/dbraw/zinc/08/19/08/847081908.db2.gz SFKYSXPXUBICIC-ZIAGYGMSSA-N 1 2 288.347 0.168 20 30 CCEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001198313672 847086897 /nfs/dbraw/zinc/08/68/97/847086897.db2.gz WSKPKBVGRMNOJQ-HUUCEWRRSA-N 1 2 296.411 0.768 20 30 CCEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001198313672 847086901 /nfs/dbraw/zinc/08/69/01/847086901.db2.gz WSKPKBVGRMNOJQ-HUUCEWRRSA-N 1 2 296.411 0.768 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001198400818 847104346 /nfs/dbraw/zinc/10/43/46/847104346.db2.gz PXQPGWLALMTQNV-HUUCEWRRSA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001198400818 847104353 /nfs/dbraw/zinc/10/43/53/847104353.db2.gz PXQPGWLALMTQNV-HUUCEWRRSA-N 1 2 288.347 0.168 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(Oc2ccccc2)C1 ZINC001251848122 847197024 /nfs/dbraw/zinc/19/70/24/847197024.db2.gz UKVDHABCUAVAOC-CYBMUJFWSA-N 1 2 261.321 0.760 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001199164227 847238703 /nfs/dbraw/zinc/23/87/03/847238703.db2.gz QOHVATCUZOHUFW-BPLDGKMQSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001199164227 847238710 /nfs/dbraw/zinc/23/87/10/847238710.db2.gz QOHVATCUZOHUFW-BPLDGKMQSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001251885605 847342167 /nfs/dbraw/zinc/34/21/67/847342167.db2.gz ZDILPWSPTSSJDK-STQMWFEESA-N 1 2 271.357 0.565 20 30 CCEDLO C#CCN1CC2(C[NH+](C[C@H](O)CCCCC)C2)OCC1=O ZINC001273874788 847710504 /nfs/dbraw/zinc/71/05/04/847710504.db2.gz ATPIVHCSCVMFAU-CQSZACIVSA-N 1 2 294.395 0.474 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273889658 847742759 /nfs/dbraw/zinc/74/27/59/847742759.db2.gz AUWZRDPHWBIHPC-FPMFFAJLSA-N 1 2 288.338 0.764 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273889658 847742762 /nfs/dbraw/zinc/74/27/62/847742762.db2.gz AUWZRDPHWBIHPC-FPMFFAJLSA-N 1 2 288.338 0.764 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2CC3(C2)C[NH+](C)C3)cc1C#N ZINC001201316076 847763945 /nfs/dbraw/zinc/76/39/45/847763945.db2.gz VVHVPMVYRPSSFD-UHFFFAOYSA-N 1 2 291.376 0.803 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461578 847974464 /nfs/dbraw/zinc/97/44/64/847974464.db2.gz TXAIZEKXOYMBGE-NWDGAFQWSA-N 1 2 285.340 0.004 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461578 847974470 /nfs/dbraw/zinc/97/44/70/847974470.db2.gz TXAIZEKXOYMBGE-NWDGAFQWSA-N 1 2 285.340 0.004 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252554192 848002436 /nfs/dbraw/zinc/00/24/36/848002436.db2.gz CXEOSVFOJAUANH-SUNKGSAMSA-N 1 2 285.340 0.350 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252554192 848002442 /nfs/dbraw/zinc/00/24/42/848002442.db2.gz CXEOSVFOJAUANH-SUNKGSAMSA-N 1 2 285.340 0.350 20 30 CCEDLO COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031221 848311672 /nfs/dbraw/zinc/31/16/72/848311672.db2.gz KNJKPCSQAVKDEJ-CHWSQXEVSA-N 1 2 281.356 0.586 20 30 CCEDLO COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031221 848311676 /nfs/dbraw/zinc/31/16/76/848311676.db2.gz KNJKPCSQAVKDEJ-CHWSQXEVSA-N 1 2 281.356 0.586 20 30 CCEDLO CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032101 848313646 /nfs/dbraw/zinc/31/36/46/848313646.db2.gz HQAZDMXIZNUCOA-CHWSQXEVSA-N 1 2 292.383 0.444 20 30 CCEDLO CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032101 848313656 /nfs/dbraw/zinc/31/36/56/848313656.db2.gz HQAZDMXIZNUCOA-CHWSQXEVSA-N 1 2 292.383 0.444 20 30 CCEDLO N#CCNC/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274132592 848356561 /nfs/dbraw/zinc/35/65/61/848356561.db2.gz BQIABDPDSFJLCG-BIOMNHJASA-N 1 2 273.340 0.231 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130156 848357002 /nfs/dbraw/zinc/35/70/02/848357002.db2.gz OJQXBQGWKDQHLD-HNNXBMFYSA-N 1 2 289.383 0.958 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130156 848357006 /nfs/dbraw/zinc/35/70/06/848357006.db2.gz OJQXBQGWKDQHLD-HNNXBMFYSA-N 1 2 289.383 0.958 20 30 CCEDLO N#CCNC/C=C/CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274132593 848357359 /nfs/dbraw/zinc/35/73/59/848357359.db2.gz BQIABDPDSFJLCG-ISUDXETCSA-N 1 2 273.340 0.231 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001274569984 848507974 /nfs/dbraw/zinc/50/79/74/848507974.db2.gz SBIFSENRCVRBDJ-KRWDZBQOSA-N 1 2 298.390 0.956 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001274569984 848507980 /nfs/dbraw/zinc/50/79/80/848507980.db2.gz SBIFSENRCVRBDJ-KRWDZBQOSA-N 1 2 298.390 0.956 20 30 CCEDLO C[C@@H](NCC#N)[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275402794 848711029 /nfs/dbraw/zinc/71/10/29/848711029.db2.gz CZWJOFGBSNUHPX-VXGBXAGGSA-N 1 2 289.383 0.768 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001275535120 848753746 /nfs/dbraw/zinc/75/37/46/848753746.db2.gz KZZOERDRLCGMKS-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001275535120 848753749 /nfs/dbraw/zinc/75/37/49/848753749.db2.gz KZZOERDRLCGMKS-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001276063054 848913616 /nfs/dbraw/zinc/91/36/16/848913616.db2.gz YFVNAWVPGSRNSZ-RBSFLKMASA-N 1 2 290.407 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](CCC)OC)C1 ZINC001276069432 848915252 /nfs/dbraw/zinc/91/52/52/848915252.db2.gz NREFXKUZJFLJNI-CYBMUJFWSA-N 1 2 284.400 0.931 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cc(C)[nH]c2C)C1 ZINC001276087980 848921323 /nfs/dbraw/zinc/92/13/23/848921323.db2.gz ANSRLHJSNPHDBZ-UHFFFAOYSA-N 1 2 289.379 0.821 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001276101004 848927513 /nfs/dbraw/zinc/92/75/13/848927513.db2.gz LHNSNKXIXZRUAE-UHFFFAOYSA-N 1 2 291.351 0.530 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CS(=O)(=O)C1)C2 ZINC001095650471 849003669 /nfs/dbraw/zinc/00/36/69/849003669.db2.gz VYBKQGDLVJKPKF-AGIUHOORSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CS(=O)(=O)C1)C2 ZINC001095650471 849003674 /nfs/dbraw/zinc/00/36/74/849003674.db2.gz VYBKQGDLVJKPKF-AGIUHOORSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110894983 849015315 /nfs/dbraw/zinc/01/53/15/849015315.db2.gz NIDFUCUBEZUWIO-KSTCHIGDSA-N 1 2 291.395 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110894983 849015318 /nfs/dbraw/zinc/01/53/18/849015318.db2.gz NIDFUCUBEZUWIO-KSTCHIGDSA-N 1 2 291.395 0.666 20 30 CCEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)C[C@H]1CO ZINC000687596160 849126437 /nfs/dbraw/zinc/12/64/37/849126437.db2.gz WRZVEVRGWCFXFR-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@H]1CO ZINC000687596160 849126444 /nfs/dbraw/zinc/12/64/44/849126444.db2.gz WRZVEVRGWCFXFR-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1cncc(C#N)n1 ZINC001095749218 849134131 /nfs/dbraw/zinc/13/41/31/849134131.db2.gz XXLMEAPGRZMFKX-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038648824 849227236 /nfs/dbraw/zinc/22/72/36/849227236.db2.gz XACGKEZEVNFXDW-WDEREUQCSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038648824 849227244 /nfs/dbraw/zinc/22/72/44/849227244.db2.gz XACGKEZEVNFXDW-WDEREUQCSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038648816 849227726 /nfs/dbraw/zinc/22/77/26/849227726.db2.gz XACGKEZEVNFXDW-QWRGUYRKSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038648816 849227736 /nfs/dbraw/zinc/22/77/36/849227736.db2.gz XACGKEZEVNFXDW-QWRGUYRKSA-N 1 2 275.356 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038256814 849832529 /nfs/dbraw/zinc/83/25/29/849832529.db2.gz IVBMUNXNEMFKKR-GFCCVEGCSA-N 1 2 273.340 0.440 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001038256814 849832544 /nfs/dbraw/zinc/83/25/44/849832544.db2.gz IVBMUNXNEMFKKR-GFCCVEGCSA-N 1 2 273.340 0.440 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001038327657 849854916 /nfs/dbraw/zinc/85/49/16/849854916.db2.gz KHAPQCSCLOIQQR-UONOGXRCSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001038327657 849854925 /nfs/dbraw/zinc/85/49/25/849854925.db2.gz KHAPQCSCLOIQQR-UONOGXRCSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038355067 849864650 /nfs/dbraw/zinc/86/46/50/849864650.db2.gz VONHFFAXJZRLJU-GFCCVEGCSA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038355067 849864651 /nfs/dbraw/zinc/86/46/51/849864651.db2.gz VONHFFAXJZRLJU-GFCCVEGCSA-N 1 2 281.319 0.462 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038515777 849930137 /nfs/dbraw/zinc/93/01/37/849930137.db2.gz PIDPTHWAQVKKCY-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038515777 849930146 /nfs/dbraw/zinc/93/01/46/849930146.db2.gz PIDPTHWAQVKKCY-SECBINFHSA-N 1 2 282.294 0.795 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@H](CC)C(N)=O)cc1 ZINC001038581936 849949674 /nfs/dbraw/zinc/94/96/74/849949674.db2.gz MWWZRZDWDXFGEW-HUUCEWRRSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](CC)C(N)=O)cc1 ZINC001038581936 849949679 /nfs/dbraw/zinc/94/96/79/849949679.db2.gz MWWZRZDWDXFGEW-HUUCEWRRSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)C(=O)NC)cc1 ZINC001038580895 849950672 /nfs/dbraw/zinc/95/06/72/849950672.db2.gz FBCNXGOBDXTFSF-IUODEOHRSA-N 1 2 299.374 0.607 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)C(=O)NC)cc1 ZINC001038580895 849950682 /nfs/dbraw/zinc/95/06/82/849950682.db2.gz FBCNXGOBDXTFSF-IUODEOHRSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001038703604 849989432 /nfs/dbraw/zinc/98/94/32/849989432.db2.gz KSNXMLCGNGRELR-HIFRSBDPSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001038703604 849989434 /nfs/dbraw/zinc/98/94/34/849989434.db2.gz KSNXMLCGNGRELR-HIFRSBDPSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001038714538 849991718 /nfs/dbraw/zinc/99/17/18/849991718.db2.gz ZQMJNSUECVDJHR-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001038714538 849991724 /nfs/dbraw/zinc/99/17/24/849991724.db2.gz ZQMJNSUECVDJHR-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)nn1 ZINC001038785278 850017666 /nfs/dbraw/zinc/01/76/66/850017666.db2.gz YGWBRAFCZTXGAU-LBPRGKRZSA-N 1 2 273.340 0.292 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)nn1 ZINC001038785278 850017676 /nfs/dbraw/zinc/01/76/76/850017676.db2.gz YGWBRAFCZTXGAU-LBPRGKRZSA-N 1 2 273.340 0.292 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001038820204 850025674 /nfs/dbraw/zinc/02/56/74/850025674.db2.gz FAEDHUVOBLFCMY-JTQLQIEISA-N 1 2 272.312 0.114 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001038820204 850025684 /nfs/dbraw/zinc/02/56/84/850025684.db2.gz FAEDHUVOBLFCMY-JTQLQIEISA-N 1 2 272.312 0.114 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001038896269 850074027 /nfs/dbraw/zinc/07/40/27/850074027.db2.gz ZWPJJLIAKSCVKU-NWDGAFQWSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001038896269 850074030 /nfs/dbraw/zinc/07/40/30/850074030.db2.gz ZWPJJLIAKSCVKU-NWDGAFQWSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001038896269 850074038 /nfs/dbraw/zinc/07/40/38/850074038.db2.gz ZWPJJLIAKSCVKU-NWDGAFQWSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001038896269 850074045 /nfs/dbraw/zinc/07/40/45/850074045.db2.gz ZWPJJLIAKSCVKU-NWDGAFQWSA-N 1 2 274.368 0.891 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001038923635 850087836 /nfs/dbraw/zinc/08/78/36/850087836.db2.gz ZTLZAEUXVNTTNE-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001038923635 850087838 /nfs/dbraw/zinc/08/78/38/850087838.db2.gz ZTLZAEUXVNTTNE-STQMWFEESA-N 1 2 277.368 0.069 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989232 850113331 /nfs/dbraw/zinc/11/33/31/850113331.db2.gz PAWRHMDXERCVJU-NSHDSACASA-N 1 2 286.339 0.423 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989232 850113336 /nfs/dbraw/zinc/11/33/36/850113336.db2.gz PAWRHMDXERCVJU-NSHDSACASA-N 1 2 286.339 0.423 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039006957 850117516 /nfs/dbraw/zinc/11/75/16/850117516.db2.gz FBXYFEGDTHSCET-LLVKDONJSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039006957 850117524 /nfs/dbraw/zinc/11/75/24/850117524.db2.gz FBXYFEGDTHSCET-LLVKDONJSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)OCCO2 ZINC001039011081 850119908 /nfs/dbraw/zinc/11/99/08/850119908.db2.gz MYNDCPGJZURFPZ-ZDUSSCGKSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)OCCO2 ZINC001039011081 850119912 /nfs/dbraw/zinc/11/99/12/850119912.db2.gz MYNDCPGJZURFPZ-ZDUSSCGKSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC001042548211 850693752 /nfs/dbraw/zinc/69/37/52/850693752.db2.gz JXCBSALGSRKQFM-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001042657711 850726536 /nfs/dbraw/zinc/72/65/36/850726536.db2.gz MPLRJKFIEQRJHB-UHFFFAOYSA-N 1 2 265.357 0.183 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cccc(C)c2=O)C1 ZINC001042717752 850743128 /nfs/dbraw/zinc/74/31/28/850743128.db2.gz WIEGWSHVOWMSQA-UHFFFAOYSA-N 1 2 289.379 0.875 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(OC)ncn2)C1 ZINC001042730398 850747513 /nfs/dbraw/zinc/74/75/13/850747513.db2.gz BIXQYLDSYROPIB-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc3nc[nH]c32)C1 ZINC001042754069 850751184 /nfs/dbraw/zinc/75/11/84/850751184.db2.gz LQZPSFGAIIBDPO-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nnn2CC)C1 ZINC001042901185 850776543 /nfs/dbraw/zinc/77/65/43/850776543.db2.gz ZDAMSXHYVKBSLT-UHFFFAOYSA-N 1 2 277.372 0.939 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001043011017 850797365 /nfs/dbraw/zinc/79/73/65/850797365.db2.gz GOLZYKOATYITND-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CN(CC#N)C1)C2 ZINC001043139182 850820578 /nfs/dbraw/zinc/82/05/78/850820578.db2.gz FKPAUWNCFNUHKX-NSHDSACASA-N 1 2 287.367 0.489 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CN(CC#N)C1)CC2 ZINC001043139182 850820586 /nfs/dbraw/zinc/82/05/86/850820586.db2.gz FKPAUWNCFNUHKX-NSHDSACASA-N 1 2 287.367 0.489 20 30 CCEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC001043135306 850821055 /nfs/dbraw/zinc/82/10/55/850821055.db2.gz FSEQXZGUOLRICU-NSHDSACASA-N 1 2 273.340 0.112 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCCO3)C1 ZINC001043308247 850850886 /nfs/dbraw/zinc/85/08/86/850850886.db2.gz BDKOFHUAWVICHZ-UHFFFAOYSA-N 1 2 290.367 0.998 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001043934500 850966634 /nfs/dbraw/zinc/96/66/34/850966634.db2.gz ADNDZMDWAAETBL-ZYHUDNBSSA-N 1 2 265.357 0.230 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001044042115 850990866 /nfs/dbraw/zinc/99/08/66/850990866.db2.gz RLYXVNHBYFXVGU-LLVKDONJSA-N 1 2 265.357 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001044167774 851029222 /nfs/dbraw/zinc/02/92/22/851029222.db2.gz ZAXCNXSKQSWLJM-CYBMUJFWSA-N 1 2 294.399 0.638 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001044170674 851030646 /nfs/dbraw/zinc/03/06/46/851030646.db2.gz STZPODHRIHFXQO-ZDUSSCGKSA-N 1 2 292.383 0.086 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)nc1 ZINC001044203330 851041575 /nfs/dbraw/zinc/04/15/75/851041575.db2.gz KTUQFTWZWRZMCU-LLVKDONJSA-N 1 2 273.336 0.200 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001044367469 851085752 /nfs/dbraw/zinc/08/57/52/851085752.db2.gz ZCABBYCSDHOFMT-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692296 851143664 /nfs/dbraw/zinc/14/36/64/851143664.db2.gz GOQCBCCDZMGUQX-OLZOCXBDSA-N 1 2 275.356 0.766 20 30 CCEDLO CC(C)=CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001045996309 851343486 /nfs/dbraw/zinc/34/34/86/851343486.db2.gz DIWQKIXJZPSOOX-CQSZACIVSA-N 1 2 276.384 0.695 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001046013276 851351141 /nfs/dbraw/zinc/35/11/41/851351141.db2.gz VYNYYRXRBPFHSF-BWPKMQGJSA-N 1 2 288.395 0.695 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC001046066154 851358809 /nfs/dbraw/zinc/35/88/09/851358809.db2.gz IUNUBWZHHWSDPN-KGLIPLIRSA-N 1 2 288.395 0.529 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC001046167148 851405454 /nfs/dbraw/zinc/40/54/54/851405454.db2.gz VIGAEPLWGLRSHF-NSHDSACASA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC001046167148 851405458 /nfs/dbraw/zinc/40/54/58/851405458.db2.gz VIGAEPLWGLRSHF-NSHDSACASA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)no2)C1 ZINC001047302303 851704617 /nfs/dbraw/zinc/70/46/17/851704617.db2.gz PROZUQPHCCEFAY-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)no2)C1 ZINC001047302303 851704618 /nfs/dbraw/zinc/70/46/18/851704618.db2.gz PROZUQPHCCEFAY-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2)C1 ZINC001047302783 851705788 /nfs/dbraw/zinc/70/57/88/851705788.db2.gz YVLPFOSAPIRRIM-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2)C1 ZINC001047302783 851705791 /nfs/dbraw/zinc/70/57/91/851705791.db2.gz YVLPFOSAPIRRIM-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001047443839 851767017 /nfs/dbraw/zinc/76/70/17/851767017.db2.gz NNUDPDUPOLEZSM-GJZGRUSLSA-N 1 2 299.374 0.709 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001047443839 851767024 /nfs/dbraw/zinc/76/70/24/851767024.db2.gz NNUDPDUPOLEZSM-GJZGRUSLSA-N 1 2 299.374 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001047458124 851772319 /nfs/dbraw/zinc/77/23/19/851772319.db2.gz YGFJXQQBNOPNPR-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001047458124 851772322 /nfs/dbraw/zinc/77/23/22/851772322.db2.gz YGFJXQQBNOPNPR-GJZGRUSLSA-N 1 2 298.346 0.313 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096339698 851941606 /nfs/dbraw/zinc/94/16/06/851941606.db2.gz VFRKVSLALAWEIR-UWVGGRQHSA-N 1 2 299.338 0.218 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001048906933 852104684 /nfs/dbraw/zinc/10/46/84/852104684.db2.gz KMXDXBKNMICILT-MCIONIFRSA-N 1 2 299.378 0.359 20 30 CCEDLO C[C@@H](CC(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1)n1cc[nH+]c1 ZINC001049087747 852161179 /nfs/dbraw/zinc/16/11/79/852161179.db2.gz YQPJCBAKNBYEKX-MELADBBJSA-N 1 2 287.367 0.748 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359759 852242889 /nfs/dbraw/zinc/24/28/89/852242889.db2.gz LPEYEZZLWLOTPA-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359759 852242877 /nfs/dbraw/zinc/24/28/77/852242877.db2.gz LPEYEZZLWLOTPA-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835043 852383179 /nfs/dbraw/zinc/38/31/79/852383179.db2.gz NQUKPOVUBONILP-NWDGAFQWSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835043 852383191 /nfs/dbraw/zinc/38/31/91/852383191.db2.gz NQUKPOVUBONILP-NWDGAFQWSA-N 1 2 273.340 0.046 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@H]1CCN2CC#N ZINC001049841327 852384217 /nfs/dbraw/zinc/38/42/17/852384217.db2.gz RNMSMMFDGYZNBC-UONOGXRCSA-N 1 2 287.367 0.551 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)cc1 ZINC001097626481 852552295 /nfs/dbraw/zinc/55/22/95/852552295.db2.gz IHWJGZOSASRKRL-KFWWJZLASA-N 1 2 297.358 0.488 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)cc1 ZINC001097626481 852552298 /nfs/dbraw/zinc/55/22/98/852552298.db2.gz IHWJGZOSASRKRL-KFWWJZLASA-N 1 2 297.358 0.488 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001097788531 852621968 /nfs/dbraw/zinc/62/19/68/852621968.db2.gz ILMSKJYCSIOTDM-MCIONIFRSA-N 1 2 291.395 0.940 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001097788531 852621970 /nfs/dbraw/zinc/62/19/70/852621970.db2.gz ILMSKJYCSIOTDM-MCIONIFRSA-N 1 2 291.395 0.940 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 ZINC001053183344 852703641 /nfs/dbraw/zinc/70/36/41/852703641.db2.gz VSUNXAJURAFPJT-CYBMUJFWSA-N 1 2 280.368 0.512 20 30 CCEDLO CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 ZINC001053226976 852714471 /nfs/dbraw/zinc/71/44/71/852714471.db2.gz GORLYRROQIVCFD-UHFFFAOYSA-N 1 2 274.324 0.433 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnns1)O2 ZINC001053575705 852763629 /nfs/dbraw/zinc/76/36/29/852763629.db2.gz CYPAWLZMEQNJNB-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn1C)CO2 ZINC001053742781 852798138 /nfs/dbraw/zinc/79/81/38/852798138.db2.gz DQUQLSKHHLKGCQ-CYBMUJFWSA-N 1 2 287.363 0.622 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)[nH]1)CO2 ZINC001053756848 852806297 /nfs/dbraw/zinc/80/62/97/852806297.db2.gz GUFLOFLOGDLVEC-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1C)CO2 ZINC001053756087 852806646 /nfs/dbraw/zinc/80/66/46/852806646.db2.gz OLGUZKQVKAFWOF-LBPRGKRZSA-N 1 2 288.351 0.017 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccoc1)CO2 ZINC001053784011 852820246 /nfs/dbraw/zinc/82/02/46/852820246.db2.gz DNYWFQAHRLGNOM-AWEZNQCLSA-N 1 2 288.347 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]nc1C)CO2 ZINC001053887338 852839677 /nfs/dbraw/zinc/83/96/77/852839677.db2.gz KWGGUUXDLGZLHG-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C(C)CN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054022112 852870433 /nfs/dbraw/zinc/87/04/33/852870433.db2.gz AWFZDTKMDNWTNJ-ZDUSSCGKSA-N 1 2 290.367 0.419 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001097921405 852870613 /nfs/dbraw/zinc/87/06/13/852870613.db2.gz ICAJSSIJYADWLE-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054022111 852871493 /nfs/dbraw/zinc/87/14/93/852871493.db2.gz AWFZDTKMDNWTNJ-CYBMUJFWSA-N 1 2 290.367 0.419 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)nc1 ZINC001097955744 852997416 /nfs/dbraw/zinc/99/74/16/852997416.db2.gz TUEPLXHEKMNWQB-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC001255030936 853060488 /nfs/dbraw/zinc/06/04/88/853060488.db2.gz AKCOBKKOYFSCKS-LBPRGKRZSA-N 1 2 271.361 0.161 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001098006026 853120921 /nfs/dbraw/zinc/12/09/21/853120921.db2.gz BTQXHPATQBRUMB-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001050816084 853445865 /nfs/dbraw/zinc/44/58/65/853445865.db2.gz VYDJCXYIANBGAL-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001050816084 853445869 /nfs/dbraw/zinc/44/58/69/853445869.db2.gz VYDJCXYIANBGAL-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050834456 853453658 /nfs/dbraw/zinc/45/36/58/853453658.db2.gz QPOSXPICCLAIKB-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050834456 853453661 /nfs/dbraw/zinc/45/36/61/853453661.db2.gz QPOSXPICCLAIKB-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001050851511 853463033 /nfs/dbraw/zinc/46/30/33/853463033.db2.gz WHMGMDYQKJALJI-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001050851511 853463038 /nfs/dbraw/zinc/46/30/38/853463038.db2.gz WHMGMDYQKJALJI-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001051075856 853517943 /nfs/dbraw/zinc/51/79/43/853517943.db2.gz NMEGPPNCEKJXCL-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001051075856 853517947 /nfs/dbraw/zinc/51/79/47/853517947.db2.gz NMEGPPNCEKJXCL-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC)nc1 ZINC001051214148 853547755 /nfs/dbraw/zinc/54/77/55/853547755.db2.gz IMFINHXMFCLGJH-AWEZNQCLSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC)nc1 ZINC001051214148 853547756 /nfs/dbraw/zinc/54/77/56/853547756.db2.gz IMFINHXMFCLGJH-AWEZNQCLSA-N 1 2 287.363 0.904 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001051269871 853557259 /nfs/dbraw/zinc/55/72/59/853557259.db2.gz DUKKWBFYLLRXBV-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001051269871 853557266 /nfs/dbraw/zinc/55/72/66/853557266.db2.gz DUKKWBFYLLRXBV-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051988137 853670028 /nfs/dbraw/zinc/67/00/28/853670028.db2.gz USKOMJLXLCFGDG-LSDHHAIUSA-N 1 2 277.412 0.884 20 30 CCEDLO CC(C)=C(F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052011812 853675637 /nfs/dbraw/zinc/67/56/37/853675637.db2.gz ZRNCUISVVQLVTA-CYBMUJFWSA-N 1 2 294.374 0.992 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058932 853882788 /nfs/dbraw/zinc/88/27/88/853882788.db2.gz GQBRABRVGMSMGL-WDEREUQCSA-N 1 2 276.340 0.740 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857659 853985129 /nfs/dbraw/zinc/98/51/29/853985129.db2.gz FOLIZYBAUPJQDK-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857659 853985138 /nfs/dbraw/zinc/98/51/38/853985138.db2.gz FOLIZYBAUPJQDK-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071791408 854295155 /nfs/dbraw/zinc/29/51/55/854295155.db2.gz SXDRVPJEKSCZID-NWDGAFQWSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001071911787 854317361 /nfs/dbraw/zinc/31/73/61/854317361.db2.gz RGGMSPDKTWIHBI-GHMZBOCLSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C ZINC001071911787 854317369 /nfs/dbraw/zinc/31/73/69/854317369.db2.gz RGGMSPDKTWIHBI-GHMZBOCLSA-N 1 2 263.345 0.964 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001072551051 854414986 /nfs/dbraw/zinc/41/49/86/854414986.db2.gz ADOZTLAAOMJRFH-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001072551051 854414991 /nfs/dbraw/zinc/41/49/91/854414991.db2.gz ADOZTLAAOMJRFH-NSHDSACASA-N 1 2 288.355 0.009 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972433 854505229 /nfs/dbraw/zinc/50/52/29/854505229.db2.gz ZYDROFWDJXWJJQ-LBPRGKRZSA-N 1 2 299.378 0.887 20 30 CCEDLO C[C@H](CC(=O)N1CC2(C1)CCN(CC#N)C2)n1cc[nH+]c1 ZINC001073022094 854517479 /nfs/dbraw/zinc/51/74/79/854517479.db2.gz ZXEBBHOBMYYZIR-CYBMUJFWSA-N 1 2 287.367 0.892 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669509 854875038 /nfs/dbraw/zinc/87/50/38/854875038.db2.gz SCFPTPARVGCLNW-OAHLLOKOSA-N 1 2 297.362 0.188 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)C#CC2CC2)cc[nH+]1 ZINC001100059452 855087733 /nfs/dbraw/zinc/08/77/33/855087733.db2.gz USIWZQAFDNOUFA-UHFFFAOYSA-N 1 2 258.325 0.751 20 30 CCEDLO CCOC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001256028754 855125743 /nfs/dbraw/zinc/12/57/43/855125743.db2.gz JHTUNPOAQBQYEH-QWRGUYRKSA-N 1 2 252.318 0.015 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001100380415 855158437 /nfs/dbraw/zinc/15/84/37/855158437.db2.gz KXSHTHPSKNUHCO-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)nc1 ZINC001100380415 855158441 /nfs/dbraw/zinc/15/84/41/855158441.db2.gz KXSHTHPSKNUHCO-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290468 855508867 /nfs/dbraw/zinc/50/88/67/855508867.db2.gz QWEXAEYJCANOEO-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC001116594650 855794345 /nfs/dbraw/zinc/79/43/45/855794345.db2.gz LOEJZFWDVQVEDE-GXFFZTMASA-N 1 2 278.360 0.520 20 30 CCEDLO CC(CS(=O)(=O)N(C)C)=NNCCCn1cc[nH+]c1 ZINC001119298390 856619664 /nfs/dbraw/zinc/61/96/64/856619664.db2.gz GHJGPQPYYOAAJG-UHFFFAOYSA-N 1 2 287.389 0.130 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CC(C)(C)C#N ZINC001119658661 856821985 /nfs/dbraw/zinc/82/19/85/856821985.db2.gz LCUJOROWGRJHCN-VIFPVBQESA-N 1 2 250.302 0.510 20 30 CCEDLO COCC[NH+]1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001323922172 912583837 /nfs/dbraw/zinc/58/38/37/912583837.db2.gz ZLEHPEDDEZNLCP-UHFFFAOYSA-N 1 2 252.358 0.825 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CNC(=O)c2cccs2)C1 ZINC001324017149 912627854 /nfs/dbraw/zinc/62/78/54/912627854.db2.gz GRYLCWQOLFTYNQ-UHFFFAOYSA-N 1 2 293.392 0.807 20 30 CCEDLO CCn1ncc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001393614566 912680610 /nfs/dbraw/zinc/68/06/10/912680610.db2.gz XDGUSHUTSHPKIB-LBPRGKRZSA-N 1 2 292.387 0.738 20 30 CCEDLO CCn1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001393614566 912680621 /nfs/dbraw/zinc/68/06/21/912680621.db2.gz XDGUSHUTSHPKIB-LBPRGKRZSA-N 1 2 292.387 0.738 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001324517086 912887454 /nfs/dbraw/zinc/88/74/54/912887454.db2.gz ZUPBIPMVTXQVEB-AWEZNQCLSA-N 1 2 271.320 0.666 20 30 CCEDLO C#CCOCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001324517086 912887477 /nfs/dbraw/zinc/88/74/77/912887477.db2.gz ZUPBIPMVTXQVEB-AWEZNQCLSA-N 1 2 271.320 0.666 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001394043220 912938480 /nfs/dbraw/zinc/93/84/80/912938480.db2.gz LPHHJBFWBOINCJ-BDAKNGLRSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001394043220 912938488 /nfs/dbraw/zinc/93/84/88/912938488.db2.gz LPHHJBFWBOINCJ-BDAKNGLRSA-N 1 2 281.385 0.943 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC001394289641 913116543 /nfs/dbraw/zinc/11/65/43/913116543.db2.gz NMHCVSDRYCBTNZ-CMPLNLGQSA-N 1 2 290.371 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC001394289641 913116547 /nfs/dbraw/zinc/11/65/47/913116547.db2.gz NMHCVSDRYCBTNZ-CMPLNLGQSA-N 1 2 290.371 0.301 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CC(C)(F)F)C1 ZINC001325272442 913310706 /nfs/dbraw/zinc/31/07/06/913310706.db2.gz FVPSVBCFENFKLL-UHFFFAOYSA-N 1 2 262.300 0.771 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001325264022 913307934 /nfs/dbraw/zinc/30/79/34/913307934.db2.gz KXCQAUQZDJLDJM-OLZOCXBDSA-N 1 2 284.400 0.787 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccnn1C ZINC001394827146 913457863 /nfs/dbraw/zinc/45/78/63/913457863.db2.gz DMBRBTWRGYFHSL-LBPRGKRZSA-N 1 2 293.371 0.144 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccnn1C ZINC001394827146 913457869 /nfs/dbraw/zinc/45/78/69/913457869.db2.gz DMBRBTWRGYFHSL-LBPRGKRZSA-N 1 2 293.371 0.144 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000306963976 891625586 /nfs/dbraw/zinc/62/55/86/891625586.db2.gz IKPJBVVMEZWODW-BDAKNGLRSA-N 1 2 250.136 0.570 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000306963976 891625592 /nfs/dbraw/zinc/62/55/92/891625592.db2.gz IKPJBVVMEZWODW-BDAKNGLRSA-N 1 2 250.136 0.570 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)CSCC#N)n1 ZINC001493481148 891677478 /nfs/dbraw/zinc/67/74/78/891677478.db2.gz DCHVJYOGQSPFHB-VIFPVBQESA-N 1 2 297.384 0.744 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)nc[nH]c1=O ZINC001480903214 891726645 /nfs/dbraw/zinc/72/66/45/891726645.db2.gz PNYSPEQXXXGQEL-UHFFFAOYSA-N 1 2 284.747 0.905 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)nc[nH]c1=O ZINC001480903214 891726650 /nfs/dbraw/zinc/72/66/50/891726650.db2.gz PNYSPEQXXXGQEL-UHFFFAOYSA-N 1 2 284.747 0.905 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCCC1 ZINC001481021525 892066563 /nfs/dbraw/zinc/06/65/63/892066563.db2.gz BTFOVDNVWYBSCI-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CCCC1 ZINC001481021525 892066584 /nfs/dbraw/zinc/06/65/84/892066584.db2.gz BTFOVDNVWYBSCI-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO CC/C=C(/C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481027170 892079034 /nfs/dbraw/zinc/07/90/34/892079034.db2.gz AWFWWUMGVHQZBJ-XLVZXTRVSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(/C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481027170 892079053 /nfs/dbraw/zinc/07/90/53/892079053.db2.gz AWFWWUMGVHQZBJ-XLVZXTRVSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049603 892661262 /nfs/dbraw/zinc/66/12/62/892661262.db2.gz SXTXBYIPBLEIRH-RYUDHWBXSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049603 892661270 /nfs/dbraw/zinc/66/12/70/892661270.db2.gz SXTXBYIPBLEIRH-RYUDHWBXSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC001342049603 892661275 /nfs/dbraw/zinc/66/12/75/892661275.db2.gz SXTXBYIPBLEIRH-RYUDHWBXSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC001342049603 892661283 /nfs/dbraw/zinc/66/12/83/892661283.db2.gz SXTXBYIPBLEIRH-RYUDHWBXSA-N 1 2 263.341 0.847 20 30 CCEDLO N#CCSCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001481544089 892794588 /nfs/dbraw/zinc/79/45/88/892794588.db2.gz AXVJYAZVEVOPEH-LBPRGKRZSA-N 1 2 283.397 0.613 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001481551033 892813671 /nfs/dbraw/zinc/81/36/71/892813671.db2.gz SZMHTNNBYOEIEQ-DGCLKSJQSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001481551034 892814404 /nfs/dbraw/zinc/81/44/04/892814404.db2.gz SZMHTNNBYOEIEQ-WCQYABFASA-N 1 2 268.357 0.557 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCn2ccccc2=O)C1 ZINC001481561646 892832957 /nfs/dbraw/zinc/83/29/57/892832957.db2.gz HZVOTIPYKQRTMU-UHFFFAOYSA-N 1 2 275.352 0.615 20 30 CCEDLO COc1ccnc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)c1 ZINC001481618066 892911167 /nfs/dbraw/zinc/91/11/67/892911167.db2.gz YEAFMPZXVRDVMO-LLVKDONJSA-N 1 2 288.351 0.798 20 30 CCEDLO N#CCNCC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481990030 893300068 /nfs/dbraw/zinc/30/00/68/893300068.db2.gz VDBQOBJRPIWGEA-GFCCVEGCSA-N 1 2 275.356 0.694 20 30 CCEDLO N#CCNCC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481990031 893301781 /nfs/dbraw/zinc/30/17/81/893301781.db2.gz VDBQOBJRPIWGEA-LBPRGKRZSA-N 1 2 275.356 0.694 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C1C[NH+](CCOCC)C1 ZINC001269787869 893644916 /nfs/dbraw/zinc/64/49/16/893644916.db2.gz WZKHQKZYNSUSAO-GFCCVEGCSA-N 1 2 268.357 0.204 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001285643475 894018780 /nfs/dbraw/zinc/01/87/80/894018780.db2.gz ICFNVRBEKNFIMV-CYBMUJFWSA-N 1 2 290.367 0.554 20 30 CCEDLO C#CC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC001326214637 913829257 /nfs/dbraw/zinc/82/92/57/913829257.db2.gz UMFHPJKOLHCLDR-UHFFFAOYSA-N 1 2 289.379 0.165 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC(F)(F)F ZINC001482583541 894288430 /nfs/dbraw/zinc/28/84/30/894288430.db2.gz LLIGJIPKLPAQPO-UHFFFAOYSA-N 1 2 293.289 0.078 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC(F)(F)F ZINC001482583541 894288436 /nfs/dbraw/zinc/28/84/36/894288436.db2.gz LLIGJIPKLPAQPO-UHFFFAOYSA-N 1 2 293.289 0.078 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CO[C@H]1CCOC1 ZINC001482595985 894361180 /nfs/dbraw/zinc/36/11/80/894361180.db2.gz BVTVKRNHPXYFMM-LBPRGKRZSA-N 1 2 290.791 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CO[C@H]1CCOC1 ZINC001482595985 894361198 /nfs/dbraw/zinc/36/11/98/894361198.db2.gz BVTVKRNHPXYFMM-LBPRGKRZSA-N 1 2 290.791 0.935 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(F)CCCC1 ZINC001482607592 894397579 /nfs/dbraw/zinc/39/75/79/894397579.db2.gz HJOWJLPAHMWCMD-UHFFFAOYSA-N 1 2 297.374 0.408 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(F)CCCC1 ZINC001482607592 894397595 /nfs/dbraw/zinc/39/75/95/894397595.db2.gz HJOWJLPAHMWCMD-UHFFFAOYSA-N 1 2 297.374 0.408 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482732820 894533582 /nfs/dbraw/zinc/53/35/82/894533582.db2.gz FZVBGZIHGRVSSX-NSHDSACASA-N 1 2 296.371 0.547 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001482766202 894581225 /nfs/dbraw/zinc/58/12/25/894581225.db2.gz IZEOMANYEZFUIG-LLVKDONJSA-N 1 2 296.396 0.461 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C\C[NH2+][C@H](C)c1nnnn1C ZINC001483014505 894801973 /nfs/dbraw/zinc/80/19/73/894801973.db2.gz RQEMJLLWQWQZLQ-FOQNGQEVSA-N 1 2 292.387 0.889 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001483334813 895468972 /nfs/dbraw/zinc/46/89/72/895468972.db2.gz ZIKHGSVRIOKMAR-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001483334813 895468980 /nfs/dbraw/zinc/46/89/80/895468980.db2.gz ZIKHGSVRIOKMAR-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nnc(C)o2)C1 ZINC001030277296 895707695 /nfs/dbraw/zinc/70/76/95/895707695.db2.gz OCLARSZNHNQZOK-UHFFFAOYSA-N 1 2 250.302 0.297 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CN2CCCC2=O)C1 ZINC001409841683 895732474 /nfs/dbraw/zinc/73/24/74/895732474.db2.gz CXLCMLXVZBGPFR-LLVKDONJSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\C ZINC001483641309 895778850 /nfs/dbraw/zinc/77/88/50/895778850.db2.gz ODAAMBGBCCQPRN-ISGXEFFDSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C\C ZINC001483641309 895778868 /nfs/dbraw/zinc/77/88/68/895778868.db2.gz ODAAMBGBCCQPRN-ISGXEFFDSA-N 1 2 279.384 0.834 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2([NH2+]Cc3cnon3)CC2)nc1 ZINC001483784905 896050519 /nfs/dbraw/zinc/05/05/19/896050519.db2.gz XMEBUWHZFUDKPU-UHFFFAOYSA-N 1 2 297.318 0.498 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccnn2CC)C1 ZINC001483862572 896086618 /nfs/dbraw/zinc/08/66/18/896086618.db2.gz VGBNNDYVCFLQAU-UHFFFAOYSA-N 1 2 292.383 0.862 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CNCC#N ZINC001483947624 896129391 /nfs/dbraw/zinc/12/93/91/896129391.db2.gz UCMRWZXVVBFQOU-AAEUAGOBSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CNCC#N ZINC001483947624 896129399 /nfs/dbraw/zinc/12/93/99/896129399.db2.gz UCMRWZXVVBFQOU-AAEUAGOBSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)CCCS(C)(=O)=O)C1 ZINC001484066348 896179851 /nfs/dbraw/zinc/17/98/51/896179851.db2.gz YXSKHVVYYUVUIT-ZDUSSCGKSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)CCCS(C)(=O)=O)C1 ZINC001484066348 896179858 /nfs/dbraw/zinc/17/98/58/896179858.db2.gz YXSKHVVYYUVUIT-ZDUSSCGKSA-N 1 2 286.397 0.025 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001326611427 914048108 /nfs/dbraw/zinc/04/81/08/914048108.db2.gz KIKUIIPDQZCRNX-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001326611427 914048121 /nfs/dbraw/zinc/04/81/21/914048121.db2.gz KIKUIIPDQZCRNX-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CC(F)(F)C2)C1 ZINC001484267023 896297317 /nfs/dbraw/zinc/29/73/17/896297317.db2.gz JTFWWXWXJVVHEI-UHFFFAOYSA-N 1 2 274.311 0.771 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC001326629645 914064963 /nfs/dbraw/zinc/06/49/63/914064963.db2.gz LRQDNUHNKKKDOY-LLVKDONJSA-N 1 2 286.339 0.827 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)OCC)CO2 ZINC001484793250 896608740 /nfs/dbraw/zinc/60/87/40/896608740.db2.gz XAELIFNBSJODJG-CHWSQXEVSA-N 1 2 282.384 0.947 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001485076598 896755343 /nfs/dbraw/zinc/75/53/43/896755343.db2.gz JUESVTHETGDFQB-GFCCVEGCSA-N 1 2 275.356 0.409 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001485418722 897050492 /nfs/dbraw/zinc/05/04/92/897050492.db2.gz GELLSYUCCABHRP-UHFFFAOYSA-N 1 2 290.367 0.216 20 30 CCEDLO Cc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)nn1C ZINC001485496555 897082498 /nfs/dbraw/zinc/08/24/98/897082498.db2.gz JHPMHYYAANPJQG-PWSUYJOCSA-N 1 2 289.383 0.825 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2(C)CC2)C1 ZINC001485507425 897095742 /nfs/dbraw/zinc/09/57/42/897095742.db2.gz QCXAQLLPGZPGAO-NSHDSACASA-N 1 2 279.384 0.525 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)nc2C)C1 ZINC001107824414 897326875 /nfs/dbraw/zinc/32/68/75/897326875.db2.gz WKECVEQLYYXIBG-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)nc2C)C1 ZINC001107824414 897326881 /nfs/dbraw/zinc/32/68/81/897326881.db2.gz WKECVEQLYYXIBG-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001077737870 897379367 /nfs/dbraw/zinc/37/93/67/897379367.db2.gz AOGPAGBEQYPXDP-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001077737870 897379376 /nfs/dbraw/zinc/37/93/76/897379376.db2.gz AOGPAGBEQYPXDP-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001032381766 897383436 /nfs/dbraw/zinc/38/34/36/897383436.db2.gz HAERWRQFKUJEQD-NAKRPEOUSA-N 1 2 254.280 0.806 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001032381766 897383449 /nfs/dbraw/zinc/38/34/49/897383449.db2.gz HAERWRQFKUJEQD-NAKRPEOUSA-N 1 2 254.280 0.806 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1cnc(C#N)cn1 ZINC001107869282 897397305 /nfs/dbraw/zinc/39/73/05/897397305.db2.gz UPVSMAZBGHNJHI-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001077748516 897401003 /nfs/dbraw/zinc/40/10/03/897401003.db2.gz QZOBGVUICRGYRE-MCIONIFRSA-N 1 2 276.311 0.492 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001077748516 897401007 /nfs/dbraw/zinc/40/10/07/897401007.db2.gz QZOBGVUICRGYRE-MCIONIFRSA-N 1 2 276.311 0.492 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)ncn2)C1 ZINC001107874428 897417969 /nfs/dbraw/zinc/41/79/69/897417969.db2.gz ONFIGQHXZXBBGE-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)ncn2)C1 ZINC001107874428 897417978 /nfs/dbraw/zinc/41/79/78/897417978.db2.gz ONFIGQHXZXBBGE-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397146 897439374 /nfs/dbraw/zinc/43/93/74/897439374.db2.gz MLPKHPUHVMLTSO-UBHSHLNASA-N 1 2 289.379 0.162 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397146 897439387 /nfs/dbraw/zinc/43/93/87/897439387.db2.gz MLPKHPUHVMLTSO-UBHSHLNASA-N 1 2 289.379 0.162 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(N(C)C)cn1 ZINC001032404039 897461300 /nfs/dbraw/zinc/46/13/00/897461300.db2.gz QRPWMTJGPDGFFQ-RYUDHWBXSA-N 1 2 285.351 0.075 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(N(C)C)cn1 ZINC001032404039 897461308 /nfs/dbraw/zinc/46/13/08/897461308.db2.gz QRPWMTJGPDGFFQ-RYUDHWBXSA-N 1 2 285.351 0.075 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107939472 897526597 /nfs/dbraw/zinc/52/65/97/897526597.db2.gz CNIVEVCNXJZEDB-HIFRSBDPSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107939472 897526611 /nfs/dbraw/zinc/52/66/11/897526611.db2.gz CNIVEVCNXJZEDB-HIFRSBDPSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001032418541 897530707 /nfs/dbraw/zinc/53/07/07/897530707.db2.gz VMBGXKXLNVURCT-KBPBESRZSA-N 1 2 295.342 0.713 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)NC(=O)C2 ZINC001032418541 897530717 /nfs/dbraw/zinc/53/07/17/897530717.db2.gz VMBGXKXLNVURCT-KBPBESRZSA-N 1 2 295.342 0.713 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001032443057 897574734 /nfs/dbraw/zinc/57/47/34/897574734.db2.gz KOJUXMJFECVWGA-STQMWFEESA-N 1 2 285.351 0.074 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001032443057 897574749 /nfs/dbraw/zinc/57/47/49/897574749.db2.gz KOJUXMJFECVWGA-STQMWFEESA-N 1 2 285.351 0.074 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nnn1CC ZINC001032442051 897576627 /nfs/dbraw/zinc/57/66/27/897576627.db2.gz JIFUBEXFKUZVGM-STQMWFEESA-N 1 2 287.367 0.528 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nnn1CC ZINC001032442051 897576636 /nfs/dbraw/zinc/57/66/36/897576636.db2.gz JIFUBEXFKUZVGM-STQMWFEESA-N 1 2 287.367 0.528 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001032482453 897629984 /nfs/dbraw/zinc/62/99/84/897629984.db2.gz CSNOKIQYXFPPME-SNPRPXQTSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001032482453 897629992 /nfs/dbraw/zinc/62/99/92/897629992.db2.gz CSNOKIQYXFPPME-SNPRPXQTSA-N 1 2 284.363 0.364 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482871 897633347 /nfs/dbraw/zinc/63/33/47/897633347.db2.gz MNXXJUMDEFHKJL-XBFCOCLRSA-N 1 2 285.351 0.254 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)cc1C ZINC001032508747 897667728 /nfs/dbraw/zinc/66/77/28/897667728.db2.gz IXHQVBQMLFCESE-KBPBESRZSA-N 1 2 272.352 0.418 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)cc1C ZINC001032508747 897667735 /nfs/dbraw/zinc/66/77/35/897667735.db2.gz IXHQVBQMLFCESE-KBPBESRZSA-N 1 2 272.352 0.418 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001032535813 897714707 /nfs/dbraw/zinc/71/47/07/897714707.db2.gz YCVRMTWLMZSFPN-IHRRRGAJSA-N 1 2 299.378 0.067 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001032535813 897714713 /nfs/dbraw/zinc/71/47/13/897714713.db2.gz YCVRMTWLMZSFPN-IHRRRGAJSA-N 1 2 299.378 0.067 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccnc(C)n1 ZINC001032539048 897720308 /nfs/dbraw/zinc/72/03/08/897720308.db2.gz FNLRUJGPUVSZPP-GJZGRUSLSA-N 1 2 284.363 0.636 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccnc(C)n1 ZINC001032539048 897720322 /nfs/dbraw/zinc/72/03/22/897720322.db2.gz FNLRUJGPUVSZPP-GJZGRUSLSA-N 1 2 284.363 0.636 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001032585433 897777947 /nfs/dbraw/zinc/77/79/47/897777947.db2.gz ILMORRHGBUNKNA-IHRRRGAJSA-N 1 2 289.379 0.304 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001032585433 897777952 /nfs/dbraw/zinc/77/79/52/897777952.db2.gz ILMORRHGBUNKNA-IHRRRGAJSA-N 1 2 289.379 0.304 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cnn(C)c1 ZINC001032590744 897788873 /nfs/dbraw/zinc/78/88/73/897788873.db2.gz UPCFCVZOKZUVCH-STQMWFEESA-N 1 2 288.351 0.107 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cnn(C)c1 ZINC001032590744 897788885 /nfs/dbraw/zinc/78/88/85/897788885.db2.gz UPCFCVZOKZUVCH-STQMWFEESA-N 1 2 288.351 0.107 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001032636616 897863203 /nfs/dbraw/zinc/86/32/03/897863203.db2.gz NYYMZBUVAMUJOQ-BYNSBNAKSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001032636616 897863215 /nfs/dbraw/zinc/86/32/15/897863215.db2.gz NYYMZBUVAMUJOQ-BYNSBNAKSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nn1 ZINC001032716274 897963001 /nfs/dbraw/zinc/96/30/01/897963001.db2.gz PLCMSFNVBOYKEN-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nn1 ZINC001032716274 897963008 /nfs/dbraw/zinc/96/30/08/897963008.db2.gz PLCMSFNVBOYKEN-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001032719466 897968324 /nfs/dbraw/zinc/96/83/24/897968324.db2.gz ITQJPSKBVXUJHD-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001032719466 897968342 /nfs/dbraw/zinc/96/83/42/897968342.db2.gz ITQJPSKBVXUJHD-IHRRRGAJSA-N 1 2 289.379 0.163 20 30 CCEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888868 898003107 /nfs/dbraw/zinc/00/31/07/898003107.db2.gz YXVKABKLPBRIAG-HUUCEWRRSA-N 1 2 295.427 0.456 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001077888868 898003126 /nfs/dbraw/zinc/00/31/26/898003126.db2.gz YXVKABKLPBRIAG-HUUCEWRRSA-N 1 2 295.427 0.456 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001077888868 898003144 /nfs/dbraw/zinc/00/31/44/898003144.db2.gz YXVKABKLPBRIAG-HUUCEWRRSA-N 1 2 295.427 0.456 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001272842387 898070507 /nfs/dbraw/zinc/07/05/07/898070507.db2.gz DJXQIJZZLLSSES-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001272842387 898070521 /nfs/dbraw/zinc/07/05/21/898070521.db2.gz DJXQIJZZLLSSES-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001077942470 898089020 /nfs/dbraw/zinc/08/90/20/898089020.db2.gz SSDJCSPSBQKNTQ-VXGBXAGGSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001077942470 898089023 /nfs/dbraw/zinc/08/90/23/898089023.db2.gz SSDJCSPSBQKNTQ-VXGBXAGGSA-N 1 2 289.360 0.638 20 30 CCEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272888764 898125555 /nfs/dbraw/zinc/12/55/55/898125555.db2.gz ACWQWSUKDOCWEZ-LBPRGKRZSA-N 1 2 280.368 0.954 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001078046046 898207103 /nfs/dbraw/zinc/20/71/03/898207103.db2.gz SPTAVZPUMCWTLY-GHMZBOCLSA-N 1 2 293.392 0.981 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001078046046 898207118 /nfs/dbraw/zinc/20/71/18/898207118.db2.gz SPTAVZPUMCWTLY-GHMZBOCLSA-N 1 2 293.392 0.981 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099632264 898302583 /nfs/dbraw/zinc/30/25/83/898302583.db2.gz AIEWAURHCYMWRZ-WDEREUQCSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099632264 898302603 /nfs/dbraw/zinc/30/26/03/898302603.db2.gz AIEWAURHCYMWRZ-WDEREUQCSA-N 1 2 276.764 0.327 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001078256994 898315023 /nfs/dbraw/zinc/31/50/23/898315023.db2.gz NXMNJVQGXJMXLO-UCGZNOEMSA-N 1 2 274.364 0.073 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001078256994 898315041 /nfs/dbraw/zinc/31/50/41/898315041.db2.gz NXMNJVQGXJMXLO-UCGZNOEMSA-N 1 2 274.364 0.073 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001032797623 898357346 /nfs/dbraw/zinc/35/73/46/898357346.db2.gz DLINHDJSNQGUPX-RDBSUJKOSA-N 1 2 299.378 0.149 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001032797623 898357357 /nfs/dbraw/zinc/35/73/57/898357357.db2.gz DLINHDJSNQGUPX-RDBSUJKOSA-N 1 2 299.378 0.149 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001410012851 899093391 /nfs/dbraw/zinc/09/33/91/899093391.db2.gz NGUHOAUBGOTRKQ-GFCCVEGCSA-N 1 2 291.355 0.350 20 30 CCEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)Cc1nnnn1C ZINC001490340576 900610575 /nfs/dbraw/zinc/61/05/75/900610575.db2.gz CGIHNPIINOVZFB-UHFFFAOYSA-N 1 2 294.403 0.751 20 30 CCEDLO C=CC(C)(C)C(=O)NCCC[N@H+](CC)Cc1nnnn1C ZINC001490340576 900610577 /nfs/dbraw/zinc/61/05/77/900610577.db2.gz CGIHNPIINOVZFB-UHFFFAOYSA-N 1 2 294.403 0.751 20 30 CCEDLO N#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001490674357 900686794 /nfs/dbraw/zinc/68/67/94/900686794.db2.gz RAVCGQAEOSVEMI-UTUOFQBUSA-N 1 2 273.340 0.521 20 30 CCEDLO N#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001490674357 900686805 /nfs/dbraw/zinc/68/68/05/900686805.db2.gz RAVCGQAEOSVEMI-UTUOFQBUSA-N 1 2 273.340 0.521 20 30 CCEDLO N#CCCOCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327538004 914600383 /nfs/dbraw/zinc/60/03/83/914600383.db2.gz NAKZPXIKGVYUJE-CYBMUJFWSA-N 1 2 253.346 0.323 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC001412945232 902383689 /nfs/dbraw/zinc/38/36/89/902383689.db2.gz CHBLHURIESMKCU-DJJJIMSYSA-N 1 2 282.413 0.426 20 30 CCEDLO Cc1nn(C)c(N)c1C=[NH+]NC(=S)NC(C)C ZINC001327798385 914775865 /nfs/dbraw/zinc/77/58/65/914775865.db2.gz VZXLANOPTIEHNA-UHFFFAOYSA-N 1 2 254.363 0.517 20 30 CCEDLO C#CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280946427 904179789 /nfs/dbraw/zinc/17/97/89/904179789.db2.gz BPBSFRVTAQFCGP-CHWSQXEVSA-N 1 2 280.368 0.130 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@H]2C)C1 ZINC001282506204 904496342 /nfs/dbraw/zinc/49/63/42/904496342.db2.gz VKWZPUGRFHAYAN-OLZOCXBDSA-N 1 2 282.384 0.398 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001282522306 904501331 /nfs/dbraw/zinc/50/13/31/904501331.db2.gz BBHGIKANFTVBTJ-KFWWJZLASA-N 1 2 290.407 0.999 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)CC)C1 ZINC001282690179 904520098 /nfs/dbraw/zinc/52/00/98/904520098.db2.gz QMTBOYLBRYISEE-VXGBXAGGSA-N 1 2 281.400 0.771 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C2CN(CC#N)C2)c[nH+]1 ZINC001282724090 904531924 /nfs/dbraw/zinc/53/19/24/904531924.db2.gz CUAUIGQEIXBWRF-GFCCVEGCSA-N 1 2 289.383 0.887 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001284271742 905228120 /nfs/dbraw/zinc/22/81/20/905228120.db2.gz DLPZCFLAVYNJDK-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001378104303 905422020 /nfs/dbraw/zinc/42/20/20/905422020.db2.gz SVFAKLRQJDQUDI-CHWSQXEVSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001378104303 905422030 /nfs/dbraw/zinc/42/20/30/905422030.db2.gz SVFAKLRQJDQUDI-CHWSQXEVSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001285839649 905782002 /nfs/dbraw/zinc/78/20/02/905782002.db2.gz WZTDNWLOISWPHY-GFCCVEGCSA-N 1 2 276.340 0.566 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001292565202 906279589 /nfs/dbraw/zinc/27/95/89/906279589.db2.gz BNPKQSSHRXADQC-UHFFFAOYSA-N 1 2 264.329 0.459 20 30 CCEDLO C=CCCCC(=O)NCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001296210418 906877357 /nfs/dbraw/zinc/87/73/57/906877357.db2.gz FBOUKLNXDFZMFV-UHFFFAOYSA-N 1 2 292.383 0.894 20 30 CCEDLO C#Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC001337777120 921292482 /nfs/dbraw/zinc/29/24/82/921292482.db2.gz WFCSLRFSZDTVJJ-ZDUSSCGKSA-N 1 2 298.390 0.852 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3(OC)CC3)n2C)CC1 ZINC001337858131 921299466 /nfs/dbraw/zinc/29/94/66/921299466.db2.gz JKJAMXGQSXSSHY-UHFFFAOYSA-N 1 2 275.356 0.206 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2nnccc2C#N)[C@H](C)CO1 ZINC001337924661 921303300 /nfs/dbraw/zinc/30/33/00/921303300.db2.gz DIRXOEKZOOLQSS-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2nnccc2C#N)[C@H](C)CO1 ZINC001337924661 921303302 /nfs/dbraw/zinc/30/33/02/921303302.db2.gz DIRXOEKZOOLQSS-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001298622762 907291032 /nfs/dbraw/zinc/29/10/32/907291032.db2.gz SESKFCBFJFYGAP-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001298622762 907291047 /nfs/dbraw/zinc/29/10/47/907291047.db2.gz SESKFCBFJFYGAP-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@@H+](C)CC(=O)NC)CC1 ZINC001492400004 907907963 /nfs/dbraw/zinc/90/79/63/907907963.db2.gz VJDSLUQXZYTABJ-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@H+](C)CC(=O)NC)CC1 ZINC001492400004 907907974 /nfs/dbraw/zinc/90/79/74/907907974.db2.gz VJDSLUQXZYTABJ-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)OCC ZINC001302758985 908039955 /nfs/dbraw/zinc/03/99/55/908039955.db2.gz DIXRKDWBCXOMRM-STQMWFEESA-N 1 2 281.356 0.801 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)OCC ZINC001302758985 908039969 /nfs/dbraw/zinc/03/99/69/908039969.db2.gz DIXRKDWBCXOMRM-STQMWFEESA-N 1 2 281.356 0.801 20 30 CCEDLO COCC#CC[N@H+](C)CCCNC(=O)c1[nH]nc(C)c1C ZINC001316816409 908780665 /nfs/dbraw/zinc/78/06/65/908780665.db2.gz OMGQDAPZRXFZFI-UHFFFAOYSA-N 1 2 292.383 0.728 20 30 CCEDLO COCC#CC[N@@H+](C)CCCNC(=O)c1[nH]nc(C)c1C ZINC001316816409 908780678 /nfs/dbraw/zinc/78/06/78/908780678.db2.gz OMGQDAPZRXFZFI-UHFFFAOYSA-N 1 2 292.383 0.728 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316967115 908871294 /nfs/dbraw/zinc/87/12/94/908871294.db2.gz RJIBVHPFAWMGIQ-CQSZACIVSA-N 1 2 278.400 0.846 20 30 CCEDLO CO[C@@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001316966085 908873397 /nfs/dbraw/zinc/87/33/97/908873397.db2.gz XFCORIKLWKVQBD-CQSZACIVSA-N 1 2 294.399 0.059 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001316965481 908873509 /nfs/dbraw/zinc/87/35/09/908873509.db2.gz FLMLVYDJCHLTNM-GJZGRUSLSA-N 1 2 290.411 0.680 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001317440462 909201382 /nfs/dbraw/zinc/20/13/82/909201382.db2.gz DTYWDZCRKCHHPX-UHFFFAOYSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001317440462 909201390 /nfs/dbraw/zinc/20/13/90/909201390.db2.gz DTYWDZCRKCHHPX-UHFFFAOYSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001317449448 909218389 /nfs/dbraw/zinc/21/83/89/909218389.db2.gz RHFPKFUOEBRIFV-ZDUSSCGKSA-N 1 2 293.411 0.917 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001317449448 909218405 /nfs/dbraw/zinc/21/84/05/909218405.db2.gz RHFPKFUOEBRIFV-ZDUSSCGKSA-N 1 2 293.411 0.917 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001387856599 909289681 /nfs/dbraw/zinc/28/96/81/909289681.db2.gz YILSMTNNFLUBIZ-LBPRGKRZSA-N 1 2 291.355 0.398 20 30 CCEDLO N#CCN(CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001317555483 909332368 /nfs/dbraw/zinc/33/23/68/909332368.db2.gz VKGMRAOHNJMSDT-UHFFFAOYSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001317941280 909550893 /nfs/dbraw/zinc/55/08/93/909550893.db2.gz VPIFFQYUXYXVBC-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001317941280 909550907 /nfs/dbraw/zinc/55/09/07/909550907.db2.gz VPIFFQYUXYXVBC-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001317998593 909565760 /nfs/dbraw/zinc/56/57/60/909565760.db2.gz MFHPQQSGTCATNP-RYUDHWBXSA-N 1 2 297.380 0.646 20 30 CCEDLO CC(C)C#CC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001318020714 909581519 /nfs/dbraw/zinc/58/15/19/909581519.db2.gz YYGLKPMSMTVXEK-CYBMUJFWSA-N 1 2 287.367 0.225 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001318018173 909582719 /nfs/dbraw/zinc/58/27/19/909582719.db2.gz MRFTWHYJMURIQE-CQSZACIVSA-N 1 2 270.373 0.539 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCOCC)C2)c1 ZINC001318060290 909603192 /nfs/dbraw/zinc/60/31/92/909603192.db2.gz DGKHGMDLDFDIPI-UHFFFAOYSA-N 1 2 273.336 0.513 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001318070746 909608140 /nfs/dbraw/zinc/60/81/40/909608140.db2.gz GDOXXGHCRKGIKF-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC001318098868 909619726 /nfs/dbraw/zinc/61/97/26/909619726.db2.gz SKAPPTPHJBPGQO-GXSJLCMTSA-N 1 2 250.327 0.960 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001318282369 909686954 /nfs/dbraw/zinc/68/69/54/909686954.db2.gz YITRHAXECDNUOR-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001318282369 909686964 /nfs/dbraw/zinc/68/69/64/909686964.db2.gz YITRHAXECDNUOR-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO COc1nccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001389454925 909904525 /nfs/dbraw/zinc/90/45/25/909904525.db2.gz REVDOVXELBKPEM-JQWIXIFHSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1nccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001389454925 909904537 /nfs/dbraw/zinc/90/45/37/909904537.db2.gz REVDOVXELBKPEM-JQWIXIFHSA-N 1 2 289.339 0.335 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001319298615 910081495 /nfs/dbraw/zinc/08/14/95/910081495.db2.gz WKNKFHLVMAFQRP-KGLIPLIRSA-N 1 2 298.383 0.043 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001319298615 910081514 /nfs/dbraw/zinc/08/15/14/910081514.db2.gz WKNKFHLVMAFQRP-KGLIPLIRSA-N 1 2 298.383 0.043 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1csnn1 ZINC001320215096 910527846 /nfs/dbraw/zinc/52/78/46/910527846.db2.gz BUMWSRKSDPAAFB-WDEREUQCSA-N 1 2 296.396 0.325 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001390784940 910675543 /nfs/dbraw/zinc/67/55/43/910675543.db2.gz MMHADXXISYAADG-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001390784940 910675557 /nfs/dbraw/zinc/67/55/57/910675557.db2.gz MMHADXXISYAADG-UHFFFAOYSA-N 1 2 284.747 0.899 20 30 CCEDLO Cn1ncnc1C[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001321011838 911015272 /nfs/dbraw/zinc/01/52/72/911015272.db2.gz PVTAFBNGDZOTCI-IHWYPQMZSA-N 1 2 299.338 0.091 20 30 CCEDLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001391478750 911167361 /nfs/dbraw/zinc/16/73/61/911167361.db2.gz ULVFHQBENRXWTP-JTQLQIEISA-N 1 2 290.371 0.314 20 30 CCEDLO C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001322237009 911721424 /nfs/dbraw/zinc/72/14/24/911721424.db2.gz MRNIBYLTCIRENP-SNVBAGLBSA-N 1 2 284.335 0.802 20 30 CCEDLO C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001322237009 911721427 /nfs/dbraw/zinc/72/14/27/911721427.db2.gz MRNIBYLTCIRENP-SNVBAGLBSA-N 1 2 284.335 0.802 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001323200531 912177548 /nfs/dbraw/zinc/17/75/48/912177548.db2.gz WAIWEEYRMGVYMT-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001323200531 912177551 /nfs/dbraw/zinc/17/75/51/912177551.db2.gz WAIWEEYRMGVYMT-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)C#N ZINC001399629541 915276268 /nfs/dbraw/zinc/27/62/68/915276268.db2.gz BFTZDGQMJZAELR-PWSUYJOCSA-N 1 2 291.355 0.369 20 30 CCEDLO C=C[C@H](COC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001328648943 915333458 /nfs/dbraw/zinc/33/34/58/915333458.db2.gz JWTPVBINWYAJFQ-GFCCVEGCSA-N 1 2 285.388 0.597 20 30 CCEDLO COCC#CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001329278247 915786371 /nfs/dbraw/zinc/78/63/71/915786371.db2.gz MOEAVEQEFYFHGO-GFCCVEGCSA-N 1 2 261.325 0.776 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001401518454 916303148 /nfs/dbraw/zinc/30/31/48/916303148.db2.gz XQXXQXGXYNLDOA-NKWVEPMBSA-N 1 2 292.660 0.706 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001401518454 916303167 /nfs/dbraw/zinc/30/31/67/916303167.db2.gz XQXXQXGXYNLDOA-NKWVEPMBSA-N 1 2 292.660 0.706 20 30 CCEDLO COCC#CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001330101925 916412914 /nfs/dbraw/zinc/41/29/14/916412914.db2.gz CDBBRMJUXZSPES-UHFFFAOYSA-N 1 2 259.309 0.380 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N)o1 ZINC001401674576 916462247 /nfs/dbraw/zinc/46/22/47/916462247.db2.gz OIIZMNCFYIQNPC-ZJUUUORDSA-N 1 2 279.344 0.947 20 30 CCEDLO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001402524313 917074370 /nfs/dbraw/zinc/07/43/70/917074370.db2.gz HLIQYZNJINASQC-LBPRGKRZSA-N 1 2 298.774 0.522 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111337 917495084 /nfs/dbraw/zinc/49/50/84/917495084.db2.gz UIDWEYLJLKBRAE-RYUDHWBXSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111337 917495089 /nfs/dbraw/zinc/49/50/89/917495089.db2.gz UIDWEYLJLKBRAE-RYUDHWBXSA-N 1 2 289.383 0.925 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC001331937427 917731642 /nfs/dbraw/zinc/73/16/42/917731642.db2.gz LMNCJXUGWDFUFC-CYBMUJFWSA-N 1 2 262.313 0.399 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001404407708 918341238 /nfs/dbraw/zinc/34/12/38/918341238.db2.gz FZQZWLDPLRUVBI-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001404407708 918341254 /nfs/dbraw/zinc/34/12/54/918341254.db2.gz FZQZWLDPLRUVBI-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001404867274 918498952 /nfs/dbraw/zinc/49/89/52/918498952.db2.gz ALWNVTKDUJWDHY-VXGBXAGGSA-N 1 2 294.399 0.355 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001405095065 918595678 /nfs/dbraw/zinc/59/56/78/918595678.db2.gz CJKLDKJWZMWYDZ-RYUDHWBXSA-N 1 2 291.355 0.396 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001405095068 918600858 /nfs/dbraw/zinc/60/08/58/918600858.db2.gz CJKLDKJWZMWYDZ-VXGBXAGGSA-N 1 2 291.355 0.396 20 30 CCEDLO C#CC[N@H+]1CC=C(CNC(=O)CS(=O)(=O)CCC)CC1 ZINC001333448135 918916841 /nfs/dbraw/zinc/91/68/41/918916841.db2.gz QJFSSDHPGWDJIA-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO C#CC[N@@H+]1CC=C(CNC(=O)CS(=O)(=O)CCC)CC1 ZINC001333448135 918916849 /nfs/dbraw/zinc/91/68/49/918916849.db2.gz QJFSSDHPGWDJIA-UHFFFAOYSA-N 1 2 298.408 0.193 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001333742470 919133115 /nfs/dbraw/zinc/13/31/15/919133115.db2.gz WWPIGWNLFIWYFX-RWMBFGLXSA-N 1 2 285.388 0.596 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001333742470 919133125 /nfs/dbraw/zinc/13/31/25/919133125.db2.gz WWPIGWNLFIWYFX-RWMBFGLXSA-N 1 2 285.388 0.596 20 30 CCEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001333992708 919301061 /nfs/dbraw/zinc/30/10/61/919301061.db2.gz DLEOPXUQSCGCIC-LLVKDONJSA-N 1 2 283.353 0.154 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1csnn1)C1CC1 ZINC001406744320 919451688 /nfs/dbraw/zinc/45/16/88/919451688.db2.gz BBPGCRURLXIUNA-GZMMTYOYSA-N 1 2 279.369 0.682 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC001336258795 920692455 /nfs/dbraw/zinc/69/24/55/920692455.db2.gz KPULVMJTKAGUBP-QWHCGFSZSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001415596421 920779017 /nfs/dbraw/zinc/77/90/17/920779017.db2.gz CAZIFYNFPUQLJF-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001415596421 920779031 /nfs/dbraw/zinc/77/90/31/920779031.db2.gz CAZIFYNFPUQLJF-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCCC#N)n2C)CC1 ZINC001340017566 921918433 /nfs/dbraw/zinc/91/84/33/921918433.db2.gz NTWOKDKIDMSMCY-UHFFFAOYSA-N 1 2 272.356 0.417 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1nccc1C ZINC001418499538 922190062 /nfs/dbraw/zinc/19/00/62/922190062.db2.gz UQJOFHAKLCVBBG-UHFFFAOYSA-N 1 2 270.764 0.992 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1nccc1C ZINC001418499538 922190066 /nfs/dbraw/zinc/19/00/66/922190066.db2.gz UQJOFHAKLCVBBG-UHFFFAOYSA-N 1 2 270.764 0.992 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(COC)C1=O ZINC001341077781 922338057 /nfs/dbraw/zinc/33/80/57/922338057.db2.gz QEQLXSYEHZMSSM-CQSZACIVSA-N 1 2 279.340 0.246 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(COC)C1=O ZINC001341077781 922338074 /nfs/dbraw/zinc/33/80/74/922338074.db2.gz QEQLXSYEHZMSSM-CQSZACIVSA-N 1 2 279.340 0.246 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001418662544 922340547 /nfs/dbraw/zinc/34/05/47/922340547.db2.gz GZPAOXQITHLSFQ-LLVKDONJSA-N 1 2 297.790 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001418662544 922340563 /nfs/dbraw/zinc/34/05/63/922340563.db2.gz GZPAOXQITHLSFQ-LLVKDONJSA-N 1 2 297.790 0.846 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)/C=C/CC)n2C)CC1 ZINC001341402677 922467725 /nfs/dbraw/zinc/46/77/25/922467725.db2.gz VZIUTPTVEPQXFI-YBJDMEARSA-N 1 2 289.383 0.570 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(N(C)C)no1)N(C)C(=O)[C@@H](C)C#N ZINC001419648526 922970285 /nfs/dbraw/zinc/97/02/85/922970285.db2.gz LFKCLDVLPLLXIW-VHSXEESVSA-N 1 2 294.359 0.232 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001342732506 923072183 /nfs/dbraw/zinc/07/21/83/923072183.db2.gz KKUSECHCBNDYCQ-YNEHKIRRSA-N 1 2 285.388 0.596 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C3CC3)n2CC)CC1 ZINC001343622951 923392924 /nfs/dbraw/zinc/39/29/24/923392924.db2.gz KVZHNHSMHCGDSI-CYBMUJFWSA-N 1 2 289.383 0.497 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001420340771 923555903 /nfs/dbraw/zinc/55/59/03/923555903.db2.gz FQBHIXUZVDGEPS-UHFFFAOYSA-N 1 2 283.759 0.649 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001420340771 923555915 /nfs/dbraw/zinc/55/59/15/923555915.db2.gz FQBHIXUZVDGEPS-UHFFFAOYSA-N 1 2 283.759 0.649 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001420509213 923725578 /nfs/dbraw/zinc/72/55/78/923725578.db2.gz VFJOFCIUSRZSAV-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001420509213 923725593 /nfs/dbraw/zinc/72/55/93/923725593.db2.gz VFJOFCIUSRZSAV-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001344957839 923745013 /nfs/dbraw/zinc/74/50/13/923745013.db2.gz CEVQJDRIQQPLST-GFCCVEGCSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001420586508 923806376 /nfs/dbraw/zinc/80/63/76/923806376.db2.gz VJWLVLKGBXHRTF-SECBINFHSA-N 1 2 276.768 0.104 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001420586508 923806360 /nfs/dbraw/zinc/80/63/60/923806360.db2.gz VJWLVLKGBXHRTF-SECBINFHSA-N 1 2 276.768 0.104 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CNC(C)=O)C1CC1 ZINC001420631631 923836358 /nfs/dbraw/zinc/83/63/58/923836358.db2.gz DGINGIVQRCIPGN-UHFFFAOYSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CNC(C)=O)C1CC1 ZINC001420631631 923836366 /nfs/dbraw/zinc/83/63/66/923836366.db2.gz DGINGIVQRCIPGN-UHFFFAOYSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001420694595 923876863 /nfs/dbraw/zinc/87/68/63/923876863.db2.gz PTQRGPARWIUSFY-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001420694595 923876873 /nfs/dbraw/zinc/87/68/73/923876873.db2.gz PTQRGPARWIUSFY-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO Cn1ncnc1C[NH2+]C1(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001420951045 924049257 /nfs/dbraw/zinc/04/92/57/924049257.db2.gz YTOHVIBVNMZCGS-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO COCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001421101349 924154052 /nfs/dbraw/zinc/15/40/52/924154052.db2.gz DKGUJUODABHGFH-UHFFFAOYSA-N 1 2 273.336 0.753 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346438403 924212113 /nfs/dbraw/zinc/21/21/13/924212113.db2.gz WEVVPKYQLFCBQO-UONOGXRCSA-N 1 2 280.416 0.723 20 30 CCEDLO C[C@@H](C(=O)NCC1(C#N)CCOCC1)n1cc[nH+]c1 ZINC001347609236 924493061 /nfs/dbraw/zinc/49/30/61/924493061.db2.gz OVKNFCRFIUMHEV-NSHDSACASA-N 1 2 262.313 0.881 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349878244 925082832 /nfs/dbraw/zinc/08/28/32/925082832.db2.gz BPDWFGJTYHFUIE-ZIAGYGMSSA-N 1 2 298.431 0.106 20 30 CCEDLO C#CC1(O)CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC001351161436 925373874 /nfs/dbraw/zinc/37/38/74/925373874.db2.gz IOJQKFYHKGTINB-UHFFFAOYSA-N 1 2 270.292 0.855 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC001413853297 925725464 /nfs/dbraw/zinc/72/54/64/925725464.db2.gz XYUYAEXUFLFZLV-NSHDSACASA-N 1 2 288.263 0.319 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480460352 925781255 /nfs/dbraw/zinc/78/12/55/925781255.db2.gz TZDIWZXHWYCYED-MNOVXSKESA-N 1 2 294.355 0.265 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001357020639 926476718 /nfs/dbraw/zinc/47/67/18/926476718.db2.gz FESNXCUASHPTIR-CYBMUJFWSA-N 1 2 290.367 0.411 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001421817437 926927693 /nfs/dbraw/zinc/92/76/93/926927693.db2.gz FTUASYNVAJSZKB-MNOVXSKESA-N 1 2 277.328 0.700 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001421817437 926927704 /nfs/dbraw/zinc/92/77/04/926927704.db2.gz FTUASYNVAJSZKB-MNOVXSKESA-N 1 2 277.328 0.700 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001422488323 927311075 /nfs/dbraw/zinc/31/10/75/927311075.db2.gz RGIGKUUXLPKLFX-SECBINFHSA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001422488323 927311088 /nfs/dbraw/zinc/31/10/88/927311088.db2.gz RGIGKUUXLPKLFX-SECBINFHSA-N 1 2 285.779 0.926 20 30 CCEDLO CC(C)(C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362269927 927806569 /nfs/dbraw/zinc/80/65/69/927806569.db2.gz MVJHVHDJMPNUJQ-NSHDSACASA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)CC(=O)Nc1ccon1 ZINC001424920873 928345987 /nfs/dbraw/zinc/34/59/87/928345987.db2.gz JJRDICDOQBSOOW-VHSXEESVSA-N 1 2 293.327 0.209 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@@H+](C)CC(=O)Nc1ccon1 ZINC001424920873 928346002 /nfs/dbraw/zinc/34/60/02/928346002.db2.gz JJRDICDOQBSOOW-VHSXEESVSA-N 1 2 293.327 0.209 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CCNC2=O)C1 ZINC001425229910 928469102 /nfs/dbraw/zinc/46/91/02/928469102.db2.gz MWHLSGRRZFVNDE-GHMZBOCLSA-N 1 2 299.802 0.702 20 30 CCEDLO CC(C)[C@H]([NH2+]C[C@H](O)CC#N)c1nc(-c2nc[nH]n2)no1 ZINC001363800715 929590320 /nfs/dbraw/zinc/59/03/20/929590320.db2.gz MCCOJRFJBPOBEX-BDAKNGLRSA-N 1 2 291.315 0.416 20 30 CCEDLO Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)nn1C ZINC001444957381 929981195 /nfs/dbraw/zinc/98/11/95/929981195.db2.gz OPHIWONWUYENOK-NSHDSACASA-N 1 2 277.372 0.778 20 30 CCEDLO Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)nn1C ZINC001444957381 929981199 /nfs/dbraw/zinc/98/11/99/929981199.db2.gz OPHIWONWUYENOK-NSHDSACASA-N 1 2 277.372 0.778 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001444974188 929989012 /nfs/dbraw/zinc/98/90/12/929989012.db2.gz MMIFPPDIGBMHAI-QWRGUYRKSA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001444974188 929989017 /nfs/dbraw/zinc/98/90/17/929989017.db2.gz MMIFPPDIGBMHAI-QWRGUYRKSA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001372901795 930005198 /nfs/dbraw/zinc/00/51/98/930005198.db2.gz XYAIBXGAYNBZQT-UHFFFAOYSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001372901795 930005213 /nfs/dbraw/zinc/00/52/13/930005213.db2.gz XYAIBXGAYNBZQT-UHFFFAOYSA-N 1 2 283.763 0.611 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001445687876 930214522 /nfs/dbraw/zinc/21/45/22/930214522.db2.gz NSYMEDMEBPQQOB-IUCAKERBSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001445687876 930214531 /nfs/dbraw/zinc/21/45/31/930214531.db2.gz NSYMEDMEBPQQOB-IUCAKERBSA-N 1 2 281.385 0.943 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001448979933 931042185 /nfs/dbraw/zinc/04/21/85/931042185.db2.gz UXBCICSCRAHGSP-HBNTYKKESA-N 1 2 289.339 0.247 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001448979933 931042190 /nfs/dbraw/zinc/04/21/90/931042190.db2.gz UXBCICSCRAHGSP-HBNTYKKESA-N 1 2 289.339 0.247 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2conc2C)C1 ZINC001376081865 931044946 /nfs/dbraw/zinc/04/49/46/931044946.db2.gz PONXGOJFZBKEOA-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2conc2C)C1 ZINC001376081865 931044957 /nfs/dbraw/zinc/04/49/57/931044957.db2.gz PONXGOJFZBKEOA-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001450685324 931324917 /nfs/dbraw/zinc/32/49/17/931324917.db2.gz CAQYNZUHJCUBNG-SNVBAGLBSA-N 1 2 289.339 0.077 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377161314 931410947 /nfs/dbraw/zinc/41/09/47/931410947.db2.gz AVSXOZLAOLTYLJ-SNVBAGLBSA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377161314 931410954 /nfs/dbraw/zinc/41/09/54/931410954.db2.gz AVSXOZLAOLTYLJ-SNVBAGLBSA-N 1 2 273.764 0.265 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078253 349449824 /nfs/dbraw/zinc/44/98/24/349449824.db2.gz JKCFMEUSPSGFAQ-VIFPVBQESA-N 1 2 277.328 0.168 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078253 349449826 /nfs/dbraw/zinc/44/98/26/349449826.db2.gz JKCFMEUSPSGFAQ-VIFPVBQESA-N 1 2 277.328 0.168 20 30 CCEDLO CC#CCC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599591884 361754337 /nfs/dbraw/zinc/75/43/37/361754337.db2.gz SJCISFXHJXYHLD-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599591884 361754342 /nfs/dbraw/zinc/75/43/42/361754342.db2.gz SJCISFXHJXYHLD-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000599604078 361758119 /nfs/dbraw/zinc/75/81/19/361758119.db2.gz DIFLSKOLMACRJH-UTUOFQBUSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C1=O ZINC000599604078 361758121 /nfs/dbraw/zinc/75/81/21/361758121.db2.gz DIFLSKOLMACRJH-UTUOFQBUSA-N 1 2 282.340 0.036 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCOC)CC1 ZINC000352864325 529488049 /nfs/dbraw/zinc/48/80/49/529488049.db2.gz ULPACHNUHNIXRN-ZDUSSCGKSA-N 1 2 253.346 0.717 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352584800 529489108 /nfs/dbraw/zinc/48/91/08/529489108.db2.gz WHCVJQJHPMYJSN-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352584800 529489109 /nfs/dbraw/zinc/48/91/09/529489109.db2.gz WHCVJQJHPMYJSN-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111334013 349771165 /nfs/dbraw/zinc/77/11/65/349771165.db2.gz VBRBAFAZMUOVRH-UHFFFAOYSA-N 1 2 269.370 0.261 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1cc(C#N)nc(C2CC2)n1 ZINC000601111513 362150516 /nfs/dbraw/zinc/15/05/16/362150516.db2.gz VLCWPOLMZXFOLC-UHFFFAOYSA-N 1 2 287.367 0.994 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329024146 529780985 /nfs/dbraw/zinc/78/09/85/529780985.db2.gz NDXXDZUSNVOUFA-LBPRGKRZSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329024146 529780986 /nfs/dbraw/zinc/78/09/86/529780986.db2.gz NDXXDZUSNVOUFA-LBPRGKRZSA-N 1 2 285.388 0.384 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329127998 529781018 /nfs/dbraw/zinc/78/10/18/529781018.db2.gz NFSAHPVENHLJJH-LBPRGKRZSA-N 1 2 283.372 0.138 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000116889784 349876268 /nfs/dbraw/zinc/87/62/68/349876268.db2.gz HFGLOCAHCUNCAI-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000116889784 349876272 /nfs/dbraw/zinc/87/62/72/349876272.db2.gz HFGLOCAHCUNCAI-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CNc1ccc(C#N)cn1 ZINC000601604896 362323251 /nfs/dbraw/zinc/32/32/51/362323251.db2.gz HZPFHZHBLKWTDU-NSHDSACASA-N 1 2 298.350 0.881 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976915 362447939 /nfs/dbraw/zinc/44/79/39/362447939.db2.gz QCGPRQMKKVRDJW-VIFPVBQESA-N 1 2 291.298 0.354 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976915 362447943 /nfs/dbraw/zinc/44/79/43/362447943.db2.gz QCGPRQMKKVRDJW-VIFPVBQESA-N 1 2 291.298 0.354 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)C(C)(C)C[NH+]2CCOCC2)c1C#N ZINC000602187893 362548252 /nfs/dbraw/zinc/54/82/52/362548252.db2.gz HMIYAUYHRUICGN-UHFFFAOYSA-N 1 2 291.355 0.309 20 30 CCEDLO COC(=O)c1oc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000602333216 362588427 /nfs/dbraw/zinc/58/84/27/362588427.db2.gz NPVPNWQNHGDIHD-AWEZNQCLSA-N 1 2 293.323 0.948 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(C2CC2)c1 ZINC000602333200 362588927 /nfs/dbraw/zinc/58/89/27/362588927.db2.gz NBYIZLYLVAGIAQ-ZDUSSCGKSA-N 1 2 261.329 0.792 20 30 CCEDLO COc1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000602335197 362589906 /nfs/dbraw/zinc/58/99/06/362589906.db2.gz VFBHQHJVTNLVEB-AWEZNQCLSA-N 1 2 276.340 0.972 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000602748837 362781376 /nfs/dbraw/zinc/78/13/76/362781376.db2.gz SGUDCTYZMQSKSC-UHFFFAOYSA-N 1 2 278.381 0.878 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000602861779 362846515 /nfs/dbraw/zinc/84/65/15/362846515.db2.gz JCPJWJWCGHOTNR-VIFPVBQESA-N 1 2 280.353 0.966 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)N2CCC2)C[C@H](C)N1CC#N ZINC000602855240 362841700 /nfs/dbraw/zinc/84/17/00/362841700.db2.gz GVLSCGMBHJGZLN-RYUDHWBXSA-N 1 2 250.346 0.137 20 30 CCEDLO C=CCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856111 362842375 /nfs/dbraw/zinc/84/23/75/362842375.db2.gz INAJJIFBDAHOAL-RYUDHWBXSA-N 1 2 250.346 0.207 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H](C)N1CC#N ZINC000602854584 362842575 /nfs/dbraw/zinc/84/25/75/362842575.db2.gz CBISGORYQAEGSC-OKILXGFUSA-N 1 2 278.400 0.917 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H](C)N1CC#N ZINC000602854584 362842577 /nfs/dbraw/zinc/84/25/77/362842577.db2.gz CBISGORYQAEGSC-OKILXGFUSA-N 1 2 278.400 0.917 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858083 362843338 /nfs/dbraw/zinc/84/33/38/362843338.db2.gz YSAMQJSTCJSKSI-VXGBXAGGSA-N 1 2 295.387 0.140 20 30 CCEDLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856307 362843508 /nfs/dbraw/zinc/84/35/08/362843508.db2.gz YRMIIVVKWFHUNE-NTZNESFSSA-N 1 2 265.357 0.856 20 30 CCEDLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856307 362843514 /nfs/dbraw/zinc/84/35/14/362843514.db2.gz YRMIIVVKWFHUNE-NTZNESFSSA-N 1 2 265.357 0.856 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857097 362843654 /nfs/dbraw/zinc/84/36/54/362843654.db2.gz OOWFVDHQXQXLKU-UTUOFQBUSA-N 1 2 295.387 0.139 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000602861778 362847078 /nfs/dbraw/zinc/84/70/78/362847078.db2.gz JCPJWJWCGHOTNR-SECBINFHSA-N 1 2 280.353 0.966 20 30 CCEDLO CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602862670 362847303 /nfs/dbraw/zinc/84/73/03/362847303.db2.gz LPGCJQVPKYDFCX-RISCZKNCSA-N 1 2 288.351 0.482 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000602863943 362849864 /nfs/dbraw/zinc/84/98/64/362849864.db2.gz JDHFQPNUAHKRNR-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000602863943 362849867 /nfs/dbraw/zinc/84/98/67/362849867.db2.gz JDHFQPNUAHKRNR-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000339355947 215118244 /nfs/dbraw/zinc/11/82/44/215118244.db2.gz GZZJXSIYCOYBNX-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000339355947 215118247 /nfs/dbraw/zinc/11/82/47/215118247.db2.gz GZZJXSIYCOYBNX-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602868227 362850746 /nfs/dbraw/zinc/85/07/46/362850746.db2.gz IIHHRYUQQUKIDY-UONOGXRCSA-N 1 2 291.399 0.571 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000602869129 362852443 /nfs/dbraw/zinc/85/24/43/362852443.db2.gz MOGITYIPOAFNCS-SNVBAGLBSA-N 1 2 295.364 0.920 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000602899735 362873923 /nfs/dbraw/zinc/87/39/23/362873923.db2.gz RMFHFECVRRTFFP-GXSJLCMTSA-N 1 2 253.327 0.332 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1nc(C#N)cs1 ZINC000602899735 362873929 /nfs/dbraw/zinc/87/39/29/362873929.db2.gz RMFHFECVRRTFFP-GXSJLCMTSA-N 1 2 253.327 0.332 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000602936380 362896865 /nfs/dbraw/zinc/89/68/65/362896865.db2.gz CQJNRDDDVQWGTJ-SNVBAGLBSA-N 1 2 279.344 0.550 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000602936380 362896871 /nfs/dbraw/zinc/89/68/71/362896871.db2.gz CQJNRDDDVQWGTJ-SNVBAGLBSA-N 1 2 279.344 0.550 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602916212 362885107 /nfs/dbraw/zinc/88/51/07/362885107.db2.gz LXDADJMEIODMMK-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602916212 362885111 /nfs/dbraw/zinc/88/51/11/362885111.db2.gz LXDADJMEIODMMK-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047890166 348391383 /nfs/dbraw/zinc/39/13/83/348391383.db2.gz XZVOOURBLRUVJF-GFCCVEGCSA-N 1 2 292.408 0.711 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000118395425 290221265 /nfs/dbraw/zinc/22/12/65/290221265.db2.gz CJHXEGIHXFLAMW-MFKMUULPSA-N 1 2 259.309 0.805 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000063508581 348686577 /nfs/dbraw/zinc/68/65/77/348686577.db2.gz CUHDCUHJVKJIDF-UHFFFAOYSA-N 1 2 290.342 0.955 20 30 CCEDLO COc1cccc(N2CC[NH+](CC(=O)NCC#N)CC2)c1 ZINC000066472441 348744234 /nfs/dbraw/zinc/74/42/34/348744234.db2.gz WRBJACABLWCORD-UHFFFAOYSA-N 1 2 288.351 0.457 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072973001 348939688 /nfs/dbraw/zinc/93/96/88/348939688.db2.gz BJDZPFQNYMYXHA-GFCCVEGCSA-N 1 2 282.388 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072973001 348939690 /nfs/dbraw/zinc/93/96/90/348939690.db2.gz BJDZPFQNYMYXHA-GFCCVEGCSA-N 1 2 282.388 0.547 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000071276192 348907080 /nfs/dbraw/zinc/90/70/80/348907080.db2.gz YXNBYDQQYHEMGM-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071276201 348907359 /nfs/dbraw/zinc/90/73/59/348907359.db2.gz CTXXWYJDMNPBKM-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000076802113 349091807 /nfs/dbraw/zinc/09/18/07/349091807.db2.gz XPVVCDVQXKMSLB-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000076802113 349091809 /nfs/dbraw/zinc/09/18/09/349091809.db2.gz XPVVCDVQXKMSLB-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000080624272 349222362 /nfs/dbraw/zinc/22/23/62/349222362.db2.gz CSFARXHXTTXJLH-UHFFFAOYSA-N 1 2 262.294 0.760 20 30 CCEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088370262 349362522 /nfs/dbraw/zinc/36/25/22/349362522.db2.gz MIXUKSJBCMUQDJ-CYBMUJFWSA-N 1 2 289.335 0.529 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000090698793 180027433 /nfs/dbraw/zinc/02/74/33/180027433.db2.gz OIMACBFORUEOTF-CQSZACIVSA-N 1 2 270.336 0.288 20 30 CCEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1C#N ZINC000135150386 350386606 /nfs/dbraw/zinc/38/66/06/350386606.db2.gz MNEGLZOFFHLEHI-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1C#N ZINC000135150386 350386607 /nfs/dbraw/zinc/38/66/07/350386607.db2.gz MNEGLZOFFHLEHI-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603092081 362958535 /nfs/dbraw/zinc/95/85/35/362958535.db2.gz SUSAFEKKNZBMIY-TZMCWYRMSA-N 1 2 292.360 0.399 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603092081 362958538 /nfs/dbraw/zinc/95/85/38/362958538.db2.gz SUSAFEKKNZBMIY-TZMCWYRMSA-N 1 2 292.360 0.399 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649826 350850963 /nfs/dbraw/zinc/85/09/63/350850963.db2.gz IJONQKGMYMTMET-LBPRGKRZSA-N 1 2 275.356 0.289 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175872723 351146353 /nfs/dbraw/zinc/14/63/53/351146353.db2.gz CFPPOKNVFVBZQZ-CHWSQXEVSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175872723 351146363 /nfs/dbraw/zinc/14/63/63/351146363.db2.gz CFPPOKNVFVBZQZ-CHWSQXEVSA-N 1 2 294.399 0.509 20 30 CCEDLO N#Cc1ccc(CCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178606398 351236448 /nfs/dbraw/zinc/23/64/48/351236448.db2.gz FAXNRCOFVGNESL-INIZCTEOSA-N 1 2 298.390 0.607 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000183829471 351392548 /nfs/dbraw/zinc/39/25/48/351392548.db2.gz QZPLJMSYXNPRSN-UHFFFAOYSA-N 1 2 258.281 0.104 20 30 CCEDLO CN(C)c1ccc(Cn2cc(CNCC#N)nn2)c[nH+]1 ZINC000603257754 363027483 /nfs/dbraw/zinc/02/74/83/363027483.db2.gz VRGRMLQKOOONDA-UHFFFAOYSA-N 1 2 271.328 0.401 20 30 CCEDLO N#CC1(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603322558 363064520 /nfs/dbraw/zinc/06/45/20/363064520.db2.gz INQZAWPXJNXGNJ-UHFFFAOYSA-N 1 2 254.315 0.106 20 30 CCEDLO N#CCC1(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603323265 363065431 /nfs/dbraw/zinc/06/54/31/363065431.db2.gz OCNKVYHSJCJDCH-UHFFFAOYSA-N 1 2 268.342 0.496 20 30 CCEDLO Cc1nc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000194622803 351878234 /nfs/dbraw/zinc/87/82/34/351878234.db2.gz PIFDBVRRHJYSQX-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1nc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000194622803 351878236 /nfs/dbraw/zinc/87/82/36/351878236.db2.gz PIFDBVRRHJYSQX-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000231901912 352138089 /nfs/dbraw/zinc/13/80/89/352138089.db2.gz MWUGWFLXFDVSFV-GFCCVEGCSA-N 1 2 260.345 0.314 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000231901912 352138090 /nfs/dbraw/zinc/13/80/90/352138090.db2.gz MWUGWFLXFDVSFV-GFCCVEGCSA-N 1 2 260.345 0.314 20 30 CCEDLO C=C(Cl)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000265494700 352642305 /nfs/dbraw/zinc/64/23/05/352642305.db2.gz XMBZZBKQHCFDGO-JTQLQIEISA-N 1 2 260.769 0.284 20 30 CCEDLO C=C(Cl)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000265494700 352642308 /nfs/dbraw/zinc/64/23/08/352642308.db2.gz XMBZZBKQHCFDGO-JTQLQIEISA-N 1 2 260.769 0.284 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000265381659 352634459 /nfs/dbraw/zinc/63/44/59/352634459.db2.gz RBNVVAIQQKHFBK-CYBMUJFWSA-N 1 2 285.351 0.306 20 30 CCEDLO C#CCN(CC)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266819853 352723910 /nfs/dbraw/zinc/72/39/10/352723910.db2.gz HSEXADOKROSIBB-UHFFFAOYSA-N 1 2 286.379 0.685 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNc2nc3ccccn3c2C#N)C1 ZINC000272912804 353105591 /nfs/dbraw/zinc/10/55/91/353105591.db2.gz OODHNEVQOHKFFB-GFCCVEGCSA-N 1 2 284.367 0.864 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNc2nc3ccccn3c2C#N)C1 ZINC000272912804 353105593 /nfs/dbraw/zinc/10/55/93/353105593.db2.gz OODHNEVQOHKFFB-GFCCVEGCSA-N 1 2 284.367 0.864 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000272928622 353107207 /nfs/dbraw/zinc/10/72/07/353107207.db2.gz ZEGQQMWHSBZSPE-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[N@H+](CC)C1CC1 ZINC000272928622 353107212 /nfs/dbraw/zinc/10/72/12/353107212.db2.gz ZEGQQMWHSBZSPE-UHFFFAOYSA-N 1 2 274.386 0.188 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000274030709 353114278 /nfs/dbraw/zinc/11/42/78/353114278.db2.gz MJQNTMHXQBLRNR-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC(=O)N1 ZINC000296083495 353930363 /nfs/dbraw/zinc/93/03/63/353930363.db2.gz FHJWKLFYXHLJFX-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(=O)N1 ZINC000296083495 353930364 /nfs/dbraw/zinc/93/03/64/353930364.db2.gz FHJWKLFYXHLJFX-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H](Nc1nccnc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000301203605 354072248 /nfs/dbraw/zinc/07/22/48/354072248.db2.gz QOQUEKCLXSLOJP-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CO)CC2)cc1 ZINC000304134129 354106982 /nfs/dbraw/zinc/10/69/82/354106982.db2.gz CNCXQRNIMSZQMK-AWEZNQCLSA-N 1 2 273.336 0.789 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305197477 354138316 /nfs/dbraw/zinc/13/83/16/354138316.db2.gz ZPPNEYRHESFLTL-ONGXEEELSA-N 1 2 292.301 0.760 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000308318423 354184729 /nfs/dbraw/zinc/18/47/29/354184729.db2.gz XEHXOASOLQDYAG-UHFFFAOYSA-N 1 2 274.324 0.565 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000308318423 354184733 /nfs/dbraw/zinc/18/47/33/354184733.db2.gz XEHXOASOLQDYAG-UHFFFAOYSA-N 1 2 274.324 0.565 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000313639161 354217722 /nfs/dbraw/zinc/21/77/22/354217722.db2.gz OQYLIWDYDNZUOG-UHFFFAOYSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC2CC2)c1=O ZINC000558589160 291061361 /nfs/dbraw/zinc/06/13/61/291061361.db2.gz RIDDEFRVSNVTPF-UHFFFAOYSA-N 1 2 273.336 0.962 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@H](C)C#N ZINC000338153651 355310332 /nfs/dbraw/zinc/31/03/32/355310332.db2.gz JDMJPDDAWRYWPC-LLVKDONJSA-N 1 2 268.361 0.061 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@H](C)C#N ZINC000338153651 355310335 /nfs/dbraw/zinc/31/03/35/355310335.db2.gz JDMJPDDAWRYWPC-LLVKDONJSA-N 1 2 268.361 0.061 20 30 CCEDLO Cc1cc(NC[C@@]2(CCO)CCOC2)c(C#N)c[nH+]1 ZINC000425236287 235275770 /nfs/dbraw/zinc/27/57/70/235275770.db2.gz JMLOTBOBJGTSDA-CQSZACIVSA-N 1 2 261.325 0.885 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC(=O)NCC#N ZINC000343516957 355772570 /nfs/dbraw/zinc/77/25/70/355772570.db2.gz KAENWXATGDCLAG-UHFFFAOYSA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[NH+](CC#C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000174524568 188903747 /nfs/dbraw/zinc/90/37/47/188903747.db2.gz BUURVQITEFCZHH-UHFFFAOYSA-N 1 2 272.333 0.528 20 30 CCEDLO CCS(=O)(=O)NCC[NH2+]Cc1nc(C#N)cs1 ZINC000352827491 356091188 /nfs/dbraw/zinc/09/11/88/356091188.db2.gz YSSIDECTXSJLFY-UHFFFAOYSA-N 1 2 274.371 0.044 20 30 CCEDLO N#C[C@]1(NC(=O)CCn2cc[nH+]c2)CCSC1 ZINC000608777614 363461585 /nfs/dbraw/zinc/46/15/85/363461585.db2.gz NTWZTJTXKQGFQD-LLVKDONJSA-N 1 2 250.327 0.789 20 30 CCEDLO C[C@H](C(=O)NCCNc1cccc[nH+]1)n1cnc(C#N)n1 ZINC000362347454 138055502 /nfs/dbraw/zinc/05/55/02/138055502.db2.gz WAHIXVHPVMYTQG-SNVBAGLBSA-N 1 2 285.311 0.334 20 30 CCEDLO COc1ncc(C[NH+]2CCN(CCC#N)CC2)c(C)n1 ZINC000619621017 366302534 /nfs/dbraw/zinc/30/25/34/366302534.db2.gz IZAHCOVTQDQDDK-UHFFFAOYSA-N 1 2 275.356 0.825 20 30 CCEDLO CC(C)NC(=O)NCC[NH+]1CCN(CCC#N)CC1 ZINC000609203697 363477584 /nfs/dbraw/zinc/47/75/84/363477584.db2.gz XYQWQQDCEBLTEA-UHFFFAOYSA-N 1 2 267.377 0.225 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000355100019 356577967 /nfs/dbraw/zinc/57/79/67/356577967.db2.gz UHUDBIJCJHJCKW-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002184 363531999 /nfs/dbraw/zinc/53/19/99/363531999.db2.gz JVFMPGUAVBANBK-SECBINFHSA-N 1 2 279.262 0.669 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002184 363532008 /nfs/dbraw/zinc/53/20/08/363532008.db2.gz JVFMPGUAVBANBK-SECBINFHSA-N 1 2 279.262 0.669 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091752969 283205958 /nfs/dbraw/zinc/20/59/58/283205958.db2.gz KICSPRAUMGDCCK-ZDUSSCGKSA-N 1 2 256.309 0.768 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091752969 283205959 /nfs/dbraw/zinc/20/59/59/283205959.db2.gz KICSPRAUMGDCCK-ZDUSSCGKSA-N 1 2 256.309 0.768 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCOC)CC1 ZINC000619716222 366334169 /nfs/dbraw/zinc/33/41/69/366334169.db2.gz BFKNODZYXJTFGT-CYBMUJFWSA-N 1 2 298.383 0.579 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000619716315 366334661 /nfs/dbraw/zinc/33/46/61/366334661.db2.gz JBMJSXGCVLTWEK-OLZOCXBDSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000619716315 366334666 /nfs/dbraw/zinc/33/46/66/366334666.db2.gz JBMJSXGCVLTWEK-OLZOCXBDSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000619718311 366338476 /nfs/dbraw/zinc/33/84/76/366338476.db2.gz IANRDGLHWDFNMY-OLZOCXBDSA-N 1 2 269.341 0.984 20 30 CCEDLO Cn1ncc(C(=O)NCCCNc2cccc[nH+]2)c1C#N ZINC000356144328 356710783 /nfs/dbraw/zinc/71/07/83/356710783.db2.gz FBODWHLVILWLDV-UHFFFAOYSA-N 1 2 284.323 0.919 20 30 CCEDLO N#Cc1ncccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357503186 283253644 /nfs/dbraw/zinc/25/36/44/283253644.db2.gz MZRDTEKHEGJVHV-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604540 363583713 /nfs/dbraw/zinc/58/37/13/363583713.db2.gz WTSZMAZMEIFXFB-UPJWGTAASA-N 1 2 295.383 0.145 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604540 363583715 /nfs/dbraw/zinc/58/37/15/363583715.db2.gz WTSZMAZMEIFXFB-UPJWGTAASA-N 1 2 295.383 0.145 20 30 CCEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220512 358557088 /nfs/dbraw/zinc/55/70/88/358557088.db2.gz PSPUYRFAMOIDNK-ABAIWWIYSA-N 1 2 289.383 0.800 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000567924898 358614916 /nfs/dbraw/zinc/61/49/16/358614916.db2.gz XKDMZPWTZZBHMW-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO CC1(C(N)=O)C[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000567791144 358586628 /nfs/dbraw/zinc/58/66/28/358586628.db2.gz ISGVJCGLVHVHIV-UHFFFAOYSA-N 1 2 297.318 0.915 20 30 CCEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](O)C(F)(F)F ZINC000573091731 358937160 /nfs/dbraw/zinc/93/71/60/358937160.db2.gz RYUJHBKWLTVWNH-JTQLQIEISA-N 1 2 299.256 0.956 20 30 CCEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](O)C(F)(F)F ZINC000573091731 358937161 /nfs/dbraw/zinc/93/71/61/358937161.db2.gz RYUJHBKWLTVWNH-JTQLQIEISA-N 1 2 299.256 0.956 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000610900048 363630463 /nfs/dbraw/zinc/63/04/63/363630463.db2.gz FQZGOXOHHMYTNA-RYUDHWBXSA-N 1 2 250.346 0.041 20 30 CCEDLO Cc1nc(N(C)C)nc(NC2CCN(CC#N)CC2)[nH+]1 ZINC000610864294 363623677 /nfs/dbraw/zinc/62/36/77/363623677.db2.gz YQDHXNVCIQFYGI-UHFFFAOYSA-N 1 2 275.360 0.068 20 30 CCEDLO Cc1nc(NC2CCN(CC#N)CC2)nc(N(C)C)[nH+]1 ZINC000610864294 363623683 /nfs/dbraw/zinc/62/36/83/363623683.db2.gz YQDHXNVCIQFYGI-UHFFFAOYSA-N 1 2 275.360 0.068 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000586779357 359288635 /nfs/dbraw/zinc/28/86/35/359288635.db2.gz KIXMXWNDCOLACT-YNEHKIRRSA-N 1 2 268.357 0.509 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000586779357 359288636 /nfs/dbraw/zinc/28/86/36/359288636.db2.gz KIXMXWNDCOLACT-YNEHKIRRSA-N 1 2 268.357 0.509 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC000587051774 359297937 /nfs/dbraw/zinc/29/79/37/359297937.db2.gz UKNDWWDRAFHGCI-GFCCVEGCSA-N 1 2 296.334 0.115 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)nc1 ZINC000587062457 359299851 /nfs/dbraw/zinc/29/98/51/359299851.db2.gz VYMGTJAHKDKLKG-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000587802794 359302195 /nfs/dbraw/zinc/30/21/95/359302195.db2.gz AWOTZEXGFUMAEL-GFCCVEGCSA-N 1 2 274.372 0.126 20 30 CCEDLO Cc1cc(N2CC[C@H](O)C2)c(C#N)c(N2CC[C@H](O)C2)[nH+]1 ZINC000589110977 359360134 /nfs/dbraw/zinc/36/01/34/359360134.db2.gz BBTVAIFLJZRWDY-RYUDHWBXSA-N 1 2 288.351 0.404 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588255701 359320142 /nfs/dbraw/zinc/32/01/42/359320142.db2.gz MCQXGRSVZCDTOC-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000590153318 359426517 /nfs/dbraw/zinc/42/65/17/359426517.db2.gz XOCRJHPQHUOAHH-AWEZNQCLSA-N 1 2 267.373 0.713 20 30 CCEDLO CN(C)S(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590153411 359426698 /nfs/dbraw/zinc/42/66/98/359426698.db2.gz ICGNHWMNCYSXDC-RYUDHWBXSA-N 1 2 286.401 0.103 20 30 CCEDLO CCOC(=O)C1CCC(O)(C[NH+]2CC(C#N)C2)CC1 ZINC000590777078 359523187 /nfs/dbraw/zinc/52/31/87/359523187.db2.gz HJSGLKMPZVRBAI-UHFFFAOYSA-N 1 2 266.341 0.926 20 30 CCEDLO COCc1nc(CNC[C@@H](O)C[N@H+](C)CCC#N)cs1 ZINC000591768091 359655977 /nfs/dbraw/zinc/65/59/77/359655977.db2.gz NKINUVILFKXJRR-GFCCVEGCSA-N 1 2 298.412 0.585 20 30 CCEDLO COCc1nc(CNC[C@@H](O)C[N@@H+](C)CCC#N)cs1 ZINC000591768091 359655981 /nfs/dbraw/zinc/65/59/81/359655981.db2.gz NKINUVILFKXJRR-GFCCVEGCSA-N 1 2 298.412 0.585 20 30 CCEDLO CNc1nc(N2CC[C@](O)(CC#N)C2)[nH+]c2ccccc21 ZINC000591975842 359717797 /nfs/dbraw/zinc/71/77/97/359717797.db2.gz URAXVYZKIKFMDE-OAHLLOKOSA-N 1 2 283.335 0.948 20 30 CCEDLO N#CC[C@]1(O)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000591974669 359716641 /nfs/dbraw/zinc/71/66/41/359716641.db2.gz PDNMVNPRVRESHH-LBPRGKRZSA-N 1 2 261.285 0.136 20 30 CCEDLO N#CC[C@]1(O)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000591974669 359716644 /nfs/dbraw/zinc/71/66/44/359716644.db2.gz PDNMVNPRVRESHH-LBPRGKRZSA-N 1 2 261.285 0.136 20 30 CCEDLO CN(CC[NH+]1CCOCC1)Cc1ccncc1C#N ZINC000592067507 359745090 /nfs/dbraw/zinc/74/50/90/359745090.db2.gz XNPFGZPIGVOERQ-UHFFFAOYSA-N 1 2 260.341 0.717 20 30 CCEDLO C[N@H+](CCN1CCOCC1)Cc1ccncc1C#N ZINC000592067507 359745092 /nfs/dbraw/zinc/74/50/92/359745092.db2.gz XNPFGZPIGVOERQ-UHFFFAOYSA-N 1 2 260.341 0.717 20 30 CCEDLO C[N@@H+](CCN1CCOCC1)Cc1ccncc1C#N ZINC000592067507 359745094 /nfs/dbraw/zinc/74/50/94/359745094.db2.gz XNPFGZPIGVOERQ-UHFFFAOYSA-N 1 2 260.341 0.717 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000592147168 359765629 /nfs/dbraw/zinc/76/56/29/359765629.db2.gz IWOPTYGCZIBCTR-INIZCTEOSA-N 1 2 285.347 0.926 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000592147168 359765630 /nfs/dbraw/zinc/76/56/30/359765630.db2.gz IWOPTYGCZIBCTR-INIZCTEOSA-N 1 2 285.347 0.926 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592147801 359765641 /nfs/dbraw/zinc/76/56/41/359765641.db2.gz OSYKTGGTLYJLFV-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592147801 359765644 /nfs/dbraw/zinc/76/56/44/359765644.db2.gz OSYKTGGTLYJLFV-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC[NH2+]1 ZINC000592259424 359806636 /nfs/dbraw/zinc/80/66/36/359806636.db2.gz PHWDZIRCILSILD-YUMQZZPRSA-N 1 2 258.285 0.480 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000611237619 363692314 /nfs/dbraw/zinc/69/23/14/363692314.db2.gz QEAUDTZSSWTGQY-PWSUYJOCSA-N 1 2 254.330 0.925 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000611237619 363692319 /nfs/dbraw/zinc/69/23/19/363692319.db2.gz QEAUDTZSSWTGQY-PWSUYJOCSA-N 1 2 254.330 0.925 20 30 CCEDLO N#CCCn1ccc(=NC(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000611261706 363699313 /nfs/dbraw/zinc/69/93/13/363699313.db2.gz JABOMXJUWJLLGK-UHFFFAOYSA-N 1 2 259.273 0.263 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000592791206 359936291 /nfs/dbraw/zinc/93/62/91/359936291.db2.gz BLRZGSZFNJTIJD-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000592837044 359948482 /nfs/dbraw/zinc/94/84/82/359948482.db2.gz CVUDJAMGCUUIDS-HNNXBMFYSA-N 1 2 284.319 0.754 20 30 CCEDLO C#C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(C)C ZINC000298042564 200322815 /nfs/dbraw/zinc/32/28/15/200322815.db2.gz RVBIMLUCHZANCO-GFCCVEGCSA-N 1 2 294.399 0.235 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000593155732 360048428 /nfs/dbraw/zinc/04/84/28/360048428.db2.gz XPPAAKCBVYNEEQ-NHYWBVRUSA-N 1 2 294.399 0.593 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C#N)CC)CC1 ZINC000593404264 360079939 /nfs/dbraw/zinc/07/99/39/360079939.db2.gz OYRRNKZVLNDVHP-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C#N)CC)CC1 ZINC000593404264 360079945 /nfs/dbraw/zinc/07/99/45/360079945.db2.gz OYRRNKZVLNDVHP-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000593739481 360145614 /nfs/dbraw/zinc/14/56/14/360145614.db2.gz FNIYVWDMQZVWBI-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H](C#N)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000593555628 360112738 /nfs/dbraw/zinc/11/27/38/360112738.db2.gz GHDBUOJMMAFHCV-WPRPVWTQSA-N 1 2 264.285 0.160 20 30 CCEDLO CC[C@@H](C#N)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000593555628 360112740 /nfs/dbraw/zinc/11/27/40/360112740.db2.gz GHDBUOJMMAFHCV-WPRPVWTQSA-N 1 2 264.285 0.160 20 30 CCEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593968410 360223885 /nfs/dbraw/zinc/22/38/85/360223885.db2.gz FDLNIGYIIKGHFX-UHFFFAOYSA-N 1 2 255.325 0.985 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@]2(CC(=O)OC)CCOC2)nn1 ZINC000593972710 360225233 /nfs/dbraw/zinc/22/52/33/360225233.db2.gz CJXPEZZGIKOTEJ-AWEZNQCLSA-N 1 2 294.355 0.666 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000611431964 363718093 /nfs/dbraw/zinc/71/80/93/363718093.db2.gz IMQGNNFMKGKPEA-HZPDHXFCSA-N 1 2 294.443 0.873 20 30 CCEDLO CCOCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901919 360412553 /nfs/dbraw/zinc/41/25/53/360412553.db2.gz RPMXSAWCTHJIBN-UHFFFAOYSA-N 1 2 277.324 0.546 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CCc3c[nH]nn3)CC2)c1 ZINC000595291338 360483711 /nfs/dbraw/zinc/48/37/11/360483711.db2.gz QQSAABLFHWCHCF-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO C[C@]1(C#N)CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000595242527 360454379 /nfs/dbraw/zinc/45/43/79/360454379.db2.gz UFRYFNDDEOZWND-CYBMUJFWSA-N 1 2 273.296 0.195 20 30 CCEDLO C[C@@H](NS(=O)(=O)N(C)CCC#N)c1[nH+]ccn1C ZINC000595382870 360513669 /nfs/dbraw/zinc/51/36/69/360513669.db2.gz JZQIJZSHQZEMKG-SECBINFHSA-N 1 2 271.346 0.161 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547781 360575968 /nfs/dbraw/zinc/57/59/68/360575968.db2.gz RWRDXGJGDHANMA-ZANVPECISA-N 1 2 295.343 0.650 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547781 360575970 /nfs/dbraw/zinc/57/59/70/360575970.db2.gz RWRDXGJGDHANMA-ZANVPECISA-N 1 2 295.343 0.650 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595633407 360601924 /nfs/dbraw/zinc/60/19/24/360601924.db2.gz WJAWQTHFZFDOCM-LBPRGKRZSA-N 1 2 290.392 0.972 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595675558 360617719 /nfs/dbraw/zinc/61/77/19/360617719.db2.gz OYXUGCPPYUMDTF-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595675558 360617722 /nfs/dbraw/zinc/61/77/22/360617722.db2.gz OYXUGCPPYUMDTF-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO C[C@H](C#N)[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708780 360626677 /nfs/dbraw/zinc/62/66/77/360626677.db2.gz AVLIOPVMACKAPV-MNOVXSKESA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000595708780 360626681 /nfs/dbraw/zinc/62/66/81/360626681.db2.gz AVLIOPVMACKAPV-MNOVXSKESA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@]1(C#N)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595844485 360677694 /nfs/dbraw/zinc/67/76/94/360677694.db2.gz TVJILZLBENFBPD-ZDUSSCGKSA-N 1 2 276.296 0.992 20 30 CCEDLO C[C@@]1(C#N)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595844485 360677698 /nfs/dbraw/zinc/67/76/98/360677698.db2.gz TVJILZLBENFBPD-ZDUSSCGKSA-N 1 2 276.296 0.992 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1csc(C(=O)OCC)n1 ZINC000595864154 360684302 /nfs/dbraw/zinc/68/43/02/360684302.db2.gz UIMOGIMBOMJGJH-MRVPVSSYSA-N 1 2 256.327 0.956 20 30 CCEDLO CC[N@H+](CCC(=O)Nc1cc(C)on1)[C@@H](C)C#N ZINC000595815088 360664946 /nfs/dbraw/zinc/66/49/46/360664946.db2.gz LCZISXWUPPEDPP-VIFPVBQESA-N 1 2 250.302 0.968 20 30 CCEDLO CC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@@H](C)C#N ZINC000595815088 360664948 /nfs/dbraw/zinc/66/49/48/360664948.db2.gz LCZISXWUPPEDPP-VIFPVBQESA-N 1 2 250.302 0.968 20 30 CCEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838405 360674439 /nfs/dbraw/zinc/67/44/39/360674439.db2.gz BOCBLGNBKIMHAA-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838405 360674443 /nfs/dbraw/zinc/67/44/43/360674443.db2.gz BOCBLGNBKIMHAA-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO N#Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)sc1Cl ZINC000596170840 360820793 /nfs/dbraw/zinc/82/07/93/360820793.db2.gz XORRYWHNWMEUGD-QMMMGPOBSA-N 1 2 283.788 0.502 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1C ZINC000596232662 360846290 /nfs/dbraw/zinc/84/62/90/360846290.db2.gz RHCLIBHOTJWGFN-DGCLKSJQSA-N 1 2 275.356 0.591 20 30 CCEDLO N#Cc1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1 ZINC000596328266 360881942 /nfs/dbraw/zinc/88/19/42/360881942.db2.gz KUAHGZSGNJRNIF-BETUJISGSA-N 1 2 259.309 0.583 20 30 CCEDLO N#Cc1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1 ZINC000596328266 360881948 /nfs/dbraw/zinc/88/19/48/360881948.db2.gz KUAHGZSGNJRNIF-BETUJISGSA-N 1 2 259.309 0.583 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)cnn2)[C@@H](C)CO1 ZINC000596434954 360895108 /nfs/dbraw/zinc/89/51/08/360895108.db2.gz ZOLOSXHVOPPZLA-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)cnn2)[C@@H](C)CO1 ZINC000596434954 360895110 /nfs/dbraw/zinc/89/51/10/360895110.db2.gz ZOLOSXHVOPPZLA-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2nccnc2C#N)[C@@H](C)CO1 ZINC000596427362 360891068 /nfs/dbraw/zinc/89/10/68/360891068.db2.gz FWQIABHKYMABRW-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2nccnc2C#N)[C@@H](C)CO1 ZINC000596427362 360891072 /nfs/dbraw/zinc/89/10/72/360891072.db2.gz FWQIABHKYMABRW-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596426545 360891324 /nfs/dbraw/zinc/89/13/24/360891324.db2.gz BQYSBZBHEHEVNQ-NEPJUHHUSA-N 1 2 275.356 0.600 20 30 CCEDLO Cc1cc(C#N)nc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596426545 360891326 /nfs/dbraw/zinc/89/13/26/360891326.db2.gz BQYSBZBHEHEVNQ-NEPJUHHUSA-N 1 2 275.356 0.600 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)[C@H](C)CO1 ZINC000596586910 360925559 /nfs/dbraw/zinc/92/55/59/360925559.db2.gz GXNSKIQHSXLLIW-VXGBXAGGSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)[C@H](C)CO1 ZINC000596586910 360925563 /nfs/dbraw/zinc/92/55/63/360925563.db2.gz GXNSKIQHSXLLIW-VXGBXAGGSA-N 1 2 280.372 0.699 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4nn[nH]c4C3)n2c1 ZINC000597248558 361041520 /nfs/dbraw/zinc/04/15/20/361041520.db2.gz AHLUYYRKKWPNPC-UHFFFAOYSA-N 1 2 279.307 0.882 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4nn[nH]c4C3)n2c1 ZINC000597248558 361041522 /nfs/dbraw/zinc/04/15/22/361041522.db2.gz AHLUYYRKKWPNPC-UHFFFAOYSA-N 1 2 279.307 0.882 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000597381346 361078871 /nfs/dbraw/zinc/07/88/71/361078871.db2.gz CTSCPGUCUSPXHC-KGLIPLIRSA-N 1 2 295.383 0.486 20 30 CCEDLO CC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)n(C)c1 ZINC000597779735 361243018 /nfs/dbraw/zinc/24/30/18/361243018.db2.gz COJYCSIEIFILTA-UHFFFAOYSA-N 1 2 288.351 0.945 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)[C@H](C)CO1 ZINC000597999945 361305762 /nfs/dbraw/zinc/30/57/62/361305762.db2.gz TVMBAVMBFAIQDO-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)[C@H](C)CO1 ZINC000597999945 361305767 /nfs/dbraw/zinc/30/57/67/361305767.db2.gz TVMBAVMBFAIQDO-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)N([C@@H](C)C#N)C2CC2)C1 ZINC000598127877 361340201 /nfs/dbraw/zinc/34/02/01/361340201.db2.gz DSMVXYZOGOVVER-JQWIXIFHSA-N 1 2 251.330 0.610 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)N([C@@H](C)C#N)C2CC2)C1 ZINC000598127877 361340204 /nfs/dbraw/zinc/34/02/04/361340204.db2.gz DSMVXYZOGOVVER-JQWIXIFHSA-N 1 2 251.330 0.610 20 30 CCEDLO CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@H](C)C#N ZINC000598349746 361393353 /nfs/dbraw/zinc/39/33/53/361393353.db2.gz JXQQXTMUMXKQAA-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@H](C)C#N ZINC000598349746 361393374 /nfs/dbraw/zinc/39/33/74/361393374.db2.gz JXQQXTMUMXKQAA-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598407017 361406365 /nfs/dbraw/zinc/40/63/65/361406365.db2.gz CWQASXNUMVKLPR-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598407017 361406370 /nfs/dbraw/zinc/40/63/70/361406370.db2.gz CWQASXNUMVKLPR-CQSZACIVSA-N 1 2 280.372 0.205 20 30 CCEDLO COCC[N@@H+](CC(=O)OC)C[C@@H](O)CC(C)(C)C#N ZINC000598593527 361453551 /nfs/dbraw/zinc/45/35/51/361453551.db2.gz UMCONUPATZDTGO-NSHDSACASA-N 1 2 272.345 0.409 20 30 CCEDLO COCC[N@H+](CC(=O)OC)C[C@@H](O)CC(C)(C)C#N ZINC000598593527 361453555 /nfs/dbraw/zinc/45/35/55/361453555.db2.gz UMCONUPATZDTGO-NSHDSACASA-N 1 2 272.345 0.409 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598949634 361539557 /nfs/dbraw/zinc/53/95/57/361539557.db2.gz ZPEWTNJZPPGDGM-LLVKDONJSA-N 1 2 267.292 0.813 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599286916 361634498 /nfs/dbraw/zinc/63/44/98/361634498.db2.gz OATUVZQPXKHBIL-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599286916 361634505 /nfs/dbraw/zinc/63/45/05/361634505.db2.gz OATUVZQPXKHBIL-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO N#Cc1cccc(CNC(=O)CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000599430431 361696997 /nfs/dbraw/zinc/69/69/97/361696997.db2.gz RDUKUIKXUAVECL-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO N#CCCN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000613127541 364119756 /nfs/dbraw/zinc/11/97/56/364119756.db2.gz DIPQZOVDFPNOSD-SECBINFHSA-N 1 2 251.252 0.441 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614668097 364696457 /nfs/dbraw/zinc/69/64/57/364696457.db2.gz LEWREVIVLWMVLK-SMDDNHRTSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614668097 364696460 /nfs/dbraw/zinc/69/64/60/364696460.db2.gz LEWREVIVLWMVLK-SMDDNHRTSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000614719312 364709062 /nfs/dbraw/zinc/70/90/62/364709062.db2.gz WNEXXLRCLGWSQB-SCRDCRAPSA-N 1 2 268.357 0.245 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615530663 364993235 /nfs/dbraw/zinc/99/32/35/364993235.db2.gz CTSNFKIJQQKCFL-YPMHNXCESA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC000615539894 364997601 /nfs/dbraw/zinc/99/76/01/364997601.db2.gz LRXIDYIWTYJCQW-SCRDCRAPSA-N 1 2 298.362 0.743 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000565049671 291340635 /nfs/dbraw/zinc/34/06/35/291340635.db2.gz RRKUKBOVPWMWPU-CHWSQXEVSA-N 1 2 277.280 0.658 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000565049671 291340637 /nfs/dbraw/zinc/34/06/37/291340637.db2.gz RRKUKBOVPWMWPU-CHWSQXEVSA-N 1 2 277.280 0.658 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000623394024 367554241 /nfs/dbraw/zinc/55/42/41/367554241.db2.gz WWJKCMSEKXCYKF-CYBMUJFWSA-N 1 2 267.373 0.926 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624155757 367768820 /nfs/dbraw/zinc/76/88/20/367768820.db2.gz CSPYNYKJXGQEMQ-NSHDSACASA-N 1 2 255.362 0.828 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624155757 367768823 /nfs/dbraw/zinc/76/88/23/367768823.db2.gz CSPYNYKJXGQEMQ-NSHDSACASA-N 1 2 255.362 0.828 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000275885782 193155469 /nfs/dbraw/zinc/15/54/69/193155469.db2.gz REYQDENYBXJAQY-SRVKXCTJSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000275885782 193155470 /nfs/dbraw/zinc/15/54/70/193155470.db2.gz REYQDENYBXJAQY-SRVKXCTJSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624369990 367856963 /nfs/dbraw/zinc/85/69/63/367856963.db2.gz YLJCZUPHFGBCIP-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624369990 367856967 /nfs/dbraw/zinc/85/69/67/367856967.db2.gz YLJCZUPHFGBCIP-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC000624619633 367931489 /nfs/dbraw/zinc/93/14/89/367931489.db2.gz HJXCSFDCPBKQAC-ZDUSSCGKSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC000624619633 367931497 /nfs/dbraw/zinc/93/14/97/367931497.db2.gz HJXCSFDCPBKQAC-ZDUSSCGKSA-N 1 2 290.367 0.740 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000625065644 368056190 /nfs/dbraw/zinc/05/61/90/368056190.db2.gz JIVMIOSQFVHUHG-CYBMUJFWSA-N 1 2 251.374 0.494 20 30 CCEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000625065644 368056194 /nfs/dbraw/zinc/05/61/94/368056194.db2.gz JIVMIOSQFVHUHG-CYBMUJFWSA-N 1 2 251.374 0.494 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330626150 203054847 /nfs/dbraw/zinc/05/48/47/203054847.db2.gz IPZNQNPZXYXKHK-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330626150 203054850 /nfs/dbraw/zinc/05/48/50/203054850.db2.gz IPZNQNPZXYXKHK-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COC[C@H]1CCCO1 ZINC000574257002 335004580 /nfs/dbraw/zinc/00/45/80/335004580.db2.gz UARSNDJBZXMWDS-ZIAGYGMSSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COC[C@H]1CCCO1 ZINC000574257002 335004581 /nfs/dbraw/zinc/00/45/81/335004581.db2.gz UARSNDJBZXMWDS-ZIAGYGMSSA-N 1 2 268.357 0.945 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)OCC ZINC000628917821 369457926 /nfs/dbraw/zinc/45/79/26/369457926.db2.gz MGBUFJXYJMZFKI-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)OCC ZINC000628917821 369457931 /nfs/dbraw/zinc/45/79/31/369457931.db2.gz MGBUFJXYJMZFKI-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000630965212 370341991 /nfs/dbraw/zinc/34/19/91/370341991.db2.gz PUDNDWYPHHQJRA-GFCCVEGCSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000630971944 370343620 /nfs/dbraw/zinc/34/36/20/370343620.db2.gz JQOKTHLJCXYVJJ-AGIUHOORSA-N 1 2 295.383 0.982 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897815 371770879 /nfs/dbraw/zinc/77/08/79/371770879.db2.gz LVDINBUJOHKFRP-CQSZACIVSA-N 1 2 276.336 0.583 20 30 CCEDLO C=CCCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636830104 373778181 /nfs/dbraw/zinc/77/81/81/373778181.db2.gz CBEHHDNCMWTSDX-UHFFFAOYSA-N 1 2 250.302 0.451 20 30 CCEDLO C=CCN(C(=O)[C@H]1COCC[N@H+]1CC)[C@@H](C)COC ZINC000637401186 374135138 /nfs/dbraw/zinc/13/51/38/374135138.db2.gz AMGKQWSUNYIUTK-QWHCGFSZSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCN(C(=O)[C@H]1COCC[N@@H+]1CC)[C@@H](C)COC ZINC000637401186 374135145 /nfs/dbraw/zinc/13/51/45/374135145.db2.gz AMGKQWSUNYIUTK-QWHCGFSZSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638475181 375072858 /nfs/dbraw/zinc/07/28/58/375072858.db2.gz VPOPZUQJGROXGC-VXGBXAGGSA-N 1 2 265.357 0.231 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000187712949 296232355 /nfs/dbraw/zinc/23/23/55/296232355.db2.gz AOAQALNDMROBFA-SMDDNHRTSA-N 1 2 298.346 0.262 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000187712949 296232357 /nfs/dbraw/zinc/23/23/57/296232357.db2.gz AOAQALNDMROBFA-SMDDNHRTSA-N 1 2 298.346 0.262 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@H](C)C2)nn1 ZINC000640774609 376531044 /nfs/dbraw/zinc/53/10/44/376531044.db2.gz OTPFAHWGXIWBGK-ZDUSSCGKSA-N 1 2 289.383 0.650 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000641084411 376757007 /nfs/dbraw/zinc/75/70/07/376757007.db2.gz KHUCSEYVUWGJAH-GFCCVEGCSA-N 1 2 254.334 0.466 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(C[N@H+](C)CCOC)nn1 ZINC000641084411 376757014 /nfs/dbraw/zinc/75/70/14/376757014.db2.gz KHUCSEYVUWGJAH-GFCCVEGCSA-N 1 2 254.334 0.466 20 30 CCEDLO C=CCN1CC[C@@H](n2cc(Cn3cc[nH+]c3)nn2)C1=O ZINC000641107679 376787308 /nfs/dbraw/zinc/78/73/08/376787308.db2.gz CUXWEXDHNGFLMU-GFCCVEGCSA-N 1 2 272.312 0.482 20 30 CCEDLO C=CCN1CC[C@H](n2cc(Cn3cc[nH+]c3)nn2)C1=O ZINC000641107680 376787921 /nfs/dbraw/zinc/78/79/21/376787921.db2.gz CUXWEXDHNGFLMU-LBPRGKRZSA-N 1 2 272.312 0.482 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc([C@H](C)OC)no2)nn1 ZINC000641142764 376804860 /nfs/dbraw/zinc/80/48/60/376804860.db2.gz XOGCGPHXXPJGBS-JTQLQIEISA-N 1 2 290.327 0.530 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nn(C)cc2Cl)nn1 ZINC000641152032 376814586 /nfs/dbraw/zinc/81/45/86/376814586.db2.gz GYOFRMIISCSFAE-UHFFFAOYSA-N 1 2 278.747 0.826 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641250580 376941185 /nfs/dbraw/zinc/94/11/85/376941185.db2.gz GHJNUYSDLBBOHV-UHFFFAOYSA-N 1 2 255.343 0.887 20 30 CCEDLO C[C@@H]1C[NH+](CCn2c(N)nc(C#N)c2C#N)C[C@@H](C)O1 ZINC000571938587 291848404 /nfs/dbraw/zinc/84/84/04/291848404.db2.gz CKYFWFHZAKHCLA-NXEZZACHSA-N 1 2 274.328 0.148 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000453629229 533065100 /nfs/dbraw/zinc/06/51/00/533065100.db2.gz YNYNAASWOZWRRC-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000453629229 533065108 /nfs/dbraw/zinc/06/51/08/533065108.db2.gz YNYNAASWOZWRRC-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2(C(=O)NCCOC)CC2)nn1 ZINC000657490092 413008910 /nfs/dbraw/zinc/00/89/10/413008910.db2.gz DTYGFMMVXCYUTP-UHFFFAOYSA-N 1 2 293.371 0.239 20 30 CCEDLO Cc1cc(N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000333385117 291934791 /nfs/dbraw/zinc/93/47/91/291934791.db2.gz CAOKHHBFBQVIBK-AWEZNQCLSA-N 1 2 285.307 0.440 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1=O ZINC000282850098 388758042 /nfs/dbraw/zinc/75/80/42/388758042.db2.gz SDVWHMSOONYJOX-ITKZLYELSA-N 1 2 274.324 0.668 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1COC[C@H]1O ZINC000285871147 388807136 /nfs/dbraw/zinc/80/71/36/388807136.db2.gz IYQNLTQLYDLWHR-NXEZZACHSA-N 1 2 281.337 0.250 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1COC[C@H]1O ZINC000285871147 388807137 /nfs/dbraw/zinc/80/71/37/388807137.db2.gz IYQNLTQLYDLWHR-NXEZZACHSA-N 1 2 281.337 0.250 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284285247 388775019 /nfs/dbraw/zinc/77/50/19/388775019.db2.gz NPZXPQPLFSQDKO-MNOVXSKESA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284285247 388775024 /nfs/dbraw/zinc/77/50/24/388775024.db2.gz NPZXPQPLFSQDKO-MNOVXSKESA-N 1 2 265.361 0.861 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184587987 388775566 /nfs/dbraw/zinc/77/55/66/388775566.db2.gz WJLHRQZOEXQWDO-WDEREUQCSA-N 1 2 295.339 0.957 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000048565397 388893076 /nfs/dbraw/zinc/89/30/76/388893076.db2.gz BHWKHBSKJJKSOT-UHFFFAOYSA-N 1 2 271.364 0.554 20 30 CCEDLO Cc1nsc(N2CC[NH+](CCOCCO)CC2)c1C#N ZINC000289623515 388876854 /nfs/dbraw/zinc/87/68/54/388876854.db2.gz ZDXQMAWRSMMIPV-UHFFFAOYSA-N 1 2 296.396 0.454 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000066499174 388945370 /nfs/dbraw/zinc/94/53/70/388945370.db2.gz AZPPVRPNMOKEGY-AWEZNQCLSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000066499174 388945372 /nfs/dbraw/zinc/94/53/72/388945372.db2.gz AZPPVRPNMOKEGY-AWEZNQCLSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000076185571 388986511 /nfs/dbraw/zinc/98/65/11/388986511.db2.gz UHIWBKYGKNKFQF-ZDUSSCGKSA-N 1 2 278.352 0.259 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190681782 388997657 /nfs/dbraw/zinc/99/76/57/388997657.db2.gz VULZOTLWQCZPNK-NSHDSACASA-N 1 2 289.383 0.684 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190681782 388997660 /nfs/dbraw/zinc/99/76/60/388997660.db2.gz VULZOTLWQCZPNK-NSHDSACASA-N 1 2 289.383 0.684 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190681782 388997662 /nfs/dbraw/zinc/99/76/62/388997662.db2.gz VULZOTLWQCZPNK-NSHDSACASA-N 1 2 289.383 0.684 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000192229463 389029065 /nfs/dbraw/zinc/02/90/65/389029065.db2.gz JJIRGJFNNGWDQE-CMPLNLGQSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000192229463 389029066 /nfs/dbraw/zinc/02/90/66/389029066.db2.gz JJIRGJFNNGWDQE-CMPLNLGQSA-N 1 2 254.330 0.255 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C1 ZINC000285371653 285331165 /nfs/dbraw/zinc/33/11/65/285331165.db2.gz QYKAMSYVWVHDQK-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C1 ZINC000285371653 285331166 /nfs/dbraw/zinc/33/11/66/285331166.db2.gz QYKAMSYVWVHDQK-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO C=CCCC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000354398759 389023083 /nfs/dbraw/zinc/02/30/83/389023083.db2.gz ZRVVWVBVNBWSMC-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092007495 389027169 /nfs/dbraw/zinc/02/71/69/389027169.db2.gz CAMXETUTEVVNSC-IUODEOHRSA-N 1 2 288.347 0.773 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092007495 389027173 /nfs/dbraw/zinc/02/71/73/389027173.db2.gz CAMXETUTEVVNSC-IUODEOHRSA-N 1 2 288.347 0.773 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301253240 389049206 /nfs/dbraw/zinc/04/92/06/389049206.db2.gz CCIYLMXQNHOXGL-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CCOC(=O)C[N@H+](CC(=O)NCC#N)C(C)(C)C ZINC000355276658 389050440 /nfs/dbraw/zinc/05/04/40/389050440.db2.gz GHSAIFHGAWBSBQ-UHFFFAOYSA-N 1 2 255.318 0.290 20 30 CCEDLO CCOC(=O)C[N@@H+](CC(=O)NCC#N)C(C)(C)C ZINC000355276658 389050444 /nfs/dbraw/zinc/05/04/44/389050444.db2.gz GHSAIFHGAWBSBQ-UHFFFAOYSA-N 1 2 255.318 0.290 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226352 389057483 /nfs/dbraw/zinc/05/74/83/389057483.db2.gz PDXGNPISHTVVOY-CHWSQXEVSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226352 389057484 /nfs/dbraw/zinc/05/74/84/389057484.db2.gz PDXGNPISHTVVOY-CHWSQXEVSA-N 1 2 279.384 0.714 20 30 CCEDLO CC[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000304019005 389081908 /nfs/dbraw/zinc/08/19/08/389081908.db2.gz XMFDHJGDOSNILJ-KBXIAJHMSA-N 1 2 283.416 0.938 20 30 CCEDLO CC[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000304019005 389081910 /nfs/dbraw/zinc/08/19/10/389081910.db2.gz XMFDHJGDOSNILJ-KBXIAJHMSA-N 1 2 283.416 0.938 20 30 CCEDLO CC[N@H+](CCC#N)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304734517 389083187 /nfs/dbraw/zinc/08/31/87/389083187.db2.gz RVXLRVDVRXGDKW-HZSPNIEDSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304734517 389083188 /nfs/dbraw/zinc/08/31/88/389083188.db2.gz RVXLRVDVRXGDKW-HZSPNIEDSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@H+](CC#N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697248 389037888 /nfs/dbraw/zinc/03/78/88/389037888.db2.gz XVIBHVFEBCLIKB-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CC[N@@H+](CC#N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697248 389037892 /nfs/dbraw/zinc/03/78/92/389037892.db2.gz XVIBHVFEBCLIKB-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109813589 389100225 /nfs/dbraw/zinc/10/02/25/389100225.db2.gz VREKKSSYRXLODX-UHFFFAOYSA-N 1 2 283.372 0.927 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109813589 389100228 /nfs/dbraw/zinc/10/02/28/389100228.db2.gz VREKKSSYRXLODX-UHFFFAOYSA-N 1 2 283.372 0.927 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121401822 389147830 /nfs/dbraw/zinc/14/78/30/389147830.db2.gz NTSSNUQIDJAIJF-NWDGAFQWSA-N 1 2 293.367 0.966 20 30 CCEDLO C[C@H](NC(=O)c1cnn(C)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000355665279 389108822 /nfs/dbraw/zinc/10/88/22/389108822.db2.gz UXVKUHAWZQPIAN-QWRGUYRKSA-N 1 2 291.355 0.131 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593224 389114101 /nfs/dbraw/zinc/11/41/01/389114101.db2.gz PRQIDYBFGKGSJX-XBFCOCLRSA-N 1 2 285.363 0.836 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593224 389114102 /nfs/dbraw/zinc/11/41/02/389114102.db2.gz PRQIDYBFGKGSJX-XBFCOCLRSA-N 1 2 285.363 0.836 20 30 CCEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCOCCC#N ZINC000338993751 389120857 /nfs/dbraw/zinc/12/08/57/389120857.db2.gz ZFTHLSOIVGLIJZ-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCOCCC#N ZINC000338993751 389120860 /nfs/dbraw/zinc/12/08/60/389120860.db2.gz ZFTHLSOIVGLIJZ-WDEREUQCSA-N 1 2 256.302 0.179 20 30 CCEDLO C[C@@H](CC#N)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000339268682 389128877 /nfs/dbraw/zinc/12/88/77/389128877.db2.gz BQOXVRAMRRTTAQ-LBPRGKRZSA-N 1 2 288.351 0.946 20 30 CCEDLO O=C(NCC[NH+]1CCC1)N[C@H]1CCc2c[nH]nc2C1 ZINC000328690674 389131861 /nfs/dbraw/zinc/13/18/61/389131861.db2.gz DLVFVIHTECASLS-NSHDSACASA-N 1 2 263.345 0.476 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357296049 389133618 /nfs/dbraw/zinc/13/36/18/389133618.db2.gz AGQHQTOTNLNHSL-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357296049 389133621 /nfs/dbraw/zinc/13/36/21/389133621.db2.gz AGQHQTOTNLNHSL-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)OCC ZINC000339493478 389134227 /nfs/dbraw/zinc/13/42/27/389134227.db2.gz HRYOEBKTZAYZEN-KGLIPLIRSA-N 1 2 281.400 0.474 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339617235 389135981 /nfs/dbraw/zinc/13/59/81/389135981.db2.gz QYVSCHFZPWOSMD-JHJVBQTASA-N 1 2 266.389 0.771 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339715923 389137190 /nfs/dbraw/zinc/13/71/90/389137190.db2.gz OPMWAWPPPXTIMV-UHFFFAOYSA-N 1 2 250.302 0.034 20 30 CCEDLO N#CCCn1ccc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000118893952 389137781 /nfs/dbraw/zinc/13/77/81/389137781.db2.gz SOQQLPGFNJSMOK-UHFFFAOYSA-N 1 2 292.343 0.250 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000328779808 389137854 /nfs/dbraw/zinc/13/78/54/389137854.db2.gz MGSYXMYDXSEJDV-GFCCVEGCSA-N 1 2 283.372 0.676 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000328779808 389137857 /nfs/dbraw/zinc/13/78/57/389137857.db2.gz MGSYXMYDXSEJDV-GFCCVEGCSA-N 1 2 283.372 0.676 20 30 CCEDLO C=C(C)COCCNC(=O)NCc1c[nH+]cn1C ZINC000357856999 389139308 /nfs/dbraw/zinc/13/93/08/389139308.db2.gz CRSNXAFAXTXDKE-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000328818903 389139959 /nfs/dbraw/zinc/13/99/59/389139959.db2.gz HFRKFVBBVGKAGT-VIFPVBQESA-N 1 2 250.302 0.540 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329659616 389183645 /nfs/dbraw/zinc/18/36/45/389183645.db2.gz HVQPROPMLBDHAO-VXGBXAGGSA-N 1 2 291.355 0.470 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329659616 389183647 /nfs/dbraw/zinc/18/36/47/389183647.db2.gz HVQPROPMLBDHAO-VXGBXAGGSA-N 1 2 291.355 0.470 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329687987 389188205 /nfs/dbraw/zinc/18/82/05/389188205.db2.gz FYJVWIRYNINQIZ-MNOVXSKESA-N 1 2 294.355 0.528 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329687987 389188207 /nfs/dbraw/zinc/18/82/07/389188207.db2.gz FYJVWIRYNINQIZ-MNOVXSKESA-N 1 2 294.355 0.528 20 30 CCEDLO O=C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCN1 ZINC000329694090 389189364 /nfs/dbraw/zinc/18/93/64/389189364.db2.gz AXDLVYVTHVOBFC-SECBINFHSA-N 1 2 277.328 0.843 20 30 CCEDLO C[C@@H](Cn1cccn1)[NH+]=C([O-])N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329742699 389195057 /nfs/dbraw/zinc/19/50/57/389195057.db2.gz WSJBIPUSJCBQNJ-RWMBFGLXSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@@H](Cn1cccn1)[NH+]=C([O-])N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329742699 389195060 /nfs/dbraw/zinc/19/50/60/389195060.db2.gz WSJBIPUSJCBQNJ-RWMBFGLXSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@@H](Cn1cccn1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329742699 389195063 /nfs/dbraw/zinc/19/50/63/389195063.db2.gz WSJBIPUSJCBQNJ-RWMBFGLXSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@@H](Cn1cccn1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329742699 389195064 /nfs/dbraw/zinc/19/50/64/389195064.db2.gz WSJBIPUSJCBQNJ-RWMBFGLXSA-N 1 2 293.371 0.200 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342222297 389201255 /nfs/dbraw/zinc/20/12/55/389201255.db2.gz QPHSCADQWFXWCM-ZYHUDNBSSA-N 1 2 276.365 0.913 20 30 CCEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329795730 389202303 /nfs/dbraw/zinc/20/23/03/389202303.db2.gz DCTZFJXEMFVTDG-WCFLWFBJSA-N 1 2 295.383 0.815 20 30 CCEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329795730 389202306 /nfs/dbraw/zinc/20/23/06/389202306.db2.gz DCTZFJXEMFVTDG-WCFLWFBJSA-N 1 2 295.383 0.815 20 30 CCEDLO C=C(CC)C[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000358500150 389152583 /nfs/dbraw/zinc/15/25/83/389152583.db2.gz PDOCWQVOQPSDIT-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(CC)C[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000358500150 389152585 /nfs/dbraw/zinc/15/25/85/389152585.db2.gz PDOCWQVOQPSDIT-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO CN1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1=O ZINC000329280347 389154304 /nfs/dbraw/zinc/15/43/04/389154304.db2.gz LZVLFYJFGALGNV-STQMWFEESA-N 1 2 295.383 0.817 20 30 CCEDLO CN1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1=O ZINC000329280347 389154305 /nfs/dbraw/zinc/15/43/05/389154305.db2.gz LZVLFYJFGALGNV-STQMWFEESA-N 1 2 295.383 0.817 20 30 CCEDLO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230334197 389158955 /nfs/dbraw/zinc/15/89/55/389158955.db2.gz ZHGOBBWBHJSOFV-UHFFFAOYSA-N 1 2 285.394 0.946 20 30 CCEDLO C[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230334197 389158957 /nfs/dbraw/zinc/15/89/57/389158957.db2.gz ZHGOBBWBHJSOFV-UHFFFAOYSA-N 1 2 285.394 0.946 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCCSC1 ZINC000329357823 389159776 /nfs/dbraw/zinc/15/97/76/389159776.db2.gz HIZIRHQSGWAZOI-GFCCVEGCSA-N 1 2 287.429 0.965 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cc(C(=O)OCC)c(C)n2)CC1 ZINC000125918365 389168195 /nfs/dbraw/zinc/16/81/95/389168195.db2.gz DNOHHYXSUYCNFS-UHFFFAOYSA-N 1 2 290.367 0.577 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csnn1 ZINC000127771806 389175488 /nfs/dbraw/zinc/17/54/88/389175488.db2.gz AYPRIXQYLKLAEF-UHFFFAOYSA-N 1 2 281.385 0.586 20 30 CCEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000136069749 389264083 /nfs/dbraw/zinc/26/40/83/389264083.db2.gz VZRIIYNYAHCEEL-SNVBAGLBSA-N 1 2 265.313 0.535 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)CN1CCOCC1=O ZINC000329869847 389207830 /nfs/dbraw/zinc/20/78/30/389207830.db2.gz ZLKSSOWNMSVCOV-UHFFFAOYSA-N 1 2 292.339 0.463 20 30 CCEDLO CC(=O)NC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329891893 389208425 /nfs/dbraw/zinc/20/84/25/389208425.db2.gz INHVHXZXNVJCMN-SNVBAGLBSA-N 1 2 262.313 0.633 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(O)cc3)C[C@H]21 ZINC000329938585 389212375 /nfs/dbraw/zinc/21/23/75/389212375.db2.gz SOAGKCWTHHVLTH-ZIAGYGMSSA-N 1 2 291.351 0.821 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(O)cc3)C[C@H]21 ZINC000329938585 389212376 /nfs/dbraw/zinc/21/23/76/389212376.db2.gz SOAGKCWTHHVLTH-ZIAGYGMSSA-N 1 2 291.351 0.821 20 30 CCEDLO N#CCCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000361467398 389216720 /nfs/dbraw/zinc/21/67/20/389216720.db2.gz ULLGKDKGTJPBIJ-UHFFFAOYSA-N 1 2 292.383 0.447 20 30 CCEDLO CC(C)c1nnc(CO[NH+]=C(N)CN2CCOCC2)o1 ZINC000132226136 389222032 /nfs/dbraw/zinc/22/20/32/389222032.db2.gz FBUKDJLOIZNFQA-UHFFFAOYSA-N 1 2 283.332 0.314 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000345810092 389315128 /nfs/dbraw/zinc/31/51/28/389315128.db2.gz FGIFJCXFAVICFB-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000345810092 389315131 /nfs/dbraw/zinc/31/51/31/389315131.db2.gz FGIFJCXFAVICFB-ZDUSSCGKSA-N 1 2 294.399 0.549 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000155755160 389321484 /nfs/dbraw/zinc/32/14/84/389321484.db2.gz RUBFLMDEQBAYGT-WDEREUQCSA-N 1 2 270.358 0.053 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000155755160 389321486 /nfs/dbraw/zinc/32/14/86/389321486.db2.gz RUBFLMDEQBAYGT-WDEREUQCSA-N 1 2 270.358 0.053 20 30 CCEDLO C[C@@H]1OCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C ZINC000156320151 389325343 /nfs/dbraw/zinc/32/53/43/389325343.db2.gz MUFVRYSADZKHMW-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C ZINC000156320151 389325345 /nfs/dbraw/zinc/32/53/45/389325345.db2.gz MUFVRYSADZKHMW-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCSC[C@H]1CO ZINC000343755371 389271099 /nfs/dbraw/zinc/27/10/99/389271099.db2.gz XPFSQLZRDAZUNB-GFCCVEGCSA-N 1 2 296.396 0.052 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000343755371 389271102 /nfs/dbraw/zinc/27/11/02/389271102.db2.gz XPFSQLZRDAZUNB-GFCCVEGCSA-N 1 2 296.396 0.052 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000330993574 389275947 /nfs/dbraw/zinc/27/59/47/389275947.db2.gz NPRVSUQICICISA-OLZOCXBDSA-N 1 2 291.399 0.779 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000330993574 389275949 /nfs/dbraw/zinc/27/59/49/389275949.db2.gz NPRVSUQICICISA-OLZOCXBDSA-N 1 2 291.399 0.779 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000331002446 389279225 /nfs/dbraw/zinc/27/92/25/389279225.db2.gz XTMGKGDZOLPCOH-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000331002446 389279227 /nfs/dbraw/zinc/27/92/27/389279227.db2.gz XTMGKGDZOLPCOH-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO N#CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000331140624 389300017 /nfs/dbraw/zinc/30/00/17/389300017.db2.gz KETQCXHFZOOZLS-CYBMUJFWSA-N 1 2 298.412 0.612 20 30 CCEDLO C=CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000153504654 389302181 /nfs/dbraw/zinc/30/21/81/389302181.db2.gz OTHVSXZMGSTXAJ-UHFFFAOYSA-N 1 2 255.362 0.925 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC000347015363 389345396 /nfs/dbraw/zinc/34/53/96/389345396.db2.gz NFQLSHDEQBJUNO-QMMMGPOBSA-N 1 2 279.262 0.404 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC000347015363 389345399 /nfs/dbraw/zinc/34/53/99/389345399.db2.gz NFQLSHDEQBJUNO-QMMMGPOBSA-N 1 2 279.262 0.404 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272636133 389469234 /nfs/dbraw/zinc/46/92/34/389469234.db2.gz WUOZFKMAYQAAMP-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272636133 389469240 /nfs/dbraw/zinc/46/92/40/389469240.db2.gz WUOZFKMAYQAAMP-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@H](O)CNc1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000413269345 389488099 /nfs/dbraw/zinc/48/80/99/389488099.db2.gz NFJQHNFFZUZWBO-JTQLQIEISA-N 1 2 261.329 0.797 20 30 CCEDLO C[C@H](O)CNc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000413269345 389488103 /nfs/dbraw/zinc/48/81/03/389488103.db2.gz NFJQHNFFZUZWBO-JTQLQIEISA-N 1 2 261.329 0.797 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373730988 389511062 /nfs/dbraw/zinc/51/10/62/389511062.db2.gz YDEYDEWRWBTFPN-MNOVXSKESA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cnccn3)CC2)C1=O ZINC000281148443 389610132 /nfs/dbraw/zinc/61/01/32/389610132.db2.gz BDTUZDRAFDRGHA-CYBMUJFWSA-N 1 2 287.367 0.386 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351618577 389637055 /nfs/dbraw/zinc/63/70/55/389637055.db2.gz JWNVHMSTJQVPKF-GFCCVEGCSA-N 1 2 299.334 0.474 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351618577 389637056 /nfs/dbraw/zinc/63/70/56/389637056.db2.gz JWNVHMSTJQVPKF-GFCCVEGCSA-N 1 2 299.334 0.474 20 30 CCEDLO Cn1c2ccccc2n(C[C@H](O)C[N@H+](C)CCC#N)c1=O ZINC000414107542 389601049 /nfs/dbraw/zinc/60/10/49/389601049.db2.gz KJTKQKHVKICGOO-GFCCVEGCSA-N 1 2 288.351 0.546 20 30 CCEDLO Cn1c2ccccc2n(C[C@H](O)C[N@@H+](C)CCC#N)c1=O ZINC000414107542 389601053 /nfs/dbraw/zinc/60/10/53/389601053.db2.gz KJTKQKHVKICGOO-GFCCVEGCSA-N 1 2 288.351 0.546 20 30 CCEDLO CCC1(CC)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414106214 389601359 /nfs/dbraw/zinc/60/13/59/389601359.db2.gz IAFARZMEPOGTPR-NSHDSACASA-N 1 2 296.371 0.303 20 30 CCEDLO CCC1(CC)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414106214 389601364 /nfs/dbraw/zinc/60/13/64/389601364.db2.gz IAFARZMEPOGTPR-NSHDSACASA-N 1 2 296.371 0.303 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180316260 389669070 /nfs/dbraw/zinc/66/90/70/389669070.db2.gz OXDPIRWTPVHFQG-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180316260 389669074 /nfs/dbraw/zinc/66/90/74/389669074.db2.gz OXDPIRWTPVHFQG-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000181793498 389694150 /nfs/dbraw/zinc/69/41/50/389694150.db2.gz HGLYYOVYVCURMT-LBPRGKRZSA-N 1 2 295.364 0.002 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000375666599 389697391 /nfs/dbraw/zinc/69/73/91/389697391.db2.gz WSEQEQBSAKMVSZ-QWHCGFSZSA-N 1 2 298.412 0.786 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000375666599 389697393 /nfs/dbraw/zinc/69/73/93/389697393.db2.gz WSEQEQBSAKMVSZ-QWHCGFSZSA-N 1 2 298.412 0.786 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000395404761 389777197 /nfs/dbraw/zinc/77/71/97/389777197.db2.gz DKGUEFOUSGGZIT-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000395404761 389777198 /nfs/dbraw/zinc/77/71/98/389777198.db2.gz DKGUEFOUSGGZIT-CHWSQXEVSA-N 1 2 275.308 0.188 20 30 CCEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)NCC#N)C[C@H](C)O2 ZINC000430256390 389789865 /nfs/dbraw/zinc/78/98/65/389789865.db2.gz KLLXLEDUSLFSAQ-DYEKYZERSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)NCC#N)C[C@H](C)O2 ZINC000430256390 389789867 /nfs/dbraw/zinc/78/98/67/389789867.db2.gz KLLXLEDUSLFSAQ-DYEKYZERSA-N 1 2 281.356 0.285 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000416415424 389740520 /nfs/dbraw/zinc/74/05/20/389740520.db2.gz UBPSAALKFAVMAP-QJPTWQEYSA-N 1 2 289.401 0.005 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000416415424 389740521 /nfs/dbraw/zinc/74/05/21/389740521.db2.gz UBPSAALKFAVMAP-QJPTWQEYSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000416471216 389747148 /nfs/dbraw/zinc/74/71/48/389747148.db2.gz JVAHPHIGRGRSLP-QWRGUYRKSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000416471216 389747151 /nfs/dbraw/zinc/74/71/51/389747151.db2.gz JVAHPHIGRGRSLP-QWRGUYRKSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430537110 389805471 /nfs/dbraw/zinc/80/54/71/389805471.db2.gz GBHXRCNLYMVGBM-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430537110 389805476 /nfs/dbraw/zinc/80/54/76/389805476.db2.gz GBHXRCNLYMVGBM-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000352439188 389810554 /nfs/dbraw/zinc/81/05/54/389810554.db2.gz OPWHVPUXSLQLQF-ZBFHGGJFSA-N 1 2 297.443 0.967 20 30 CCEDLO CC[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000442794344 389863119 /nfs/dbraw/zinc/86/31/19/389863119.db2.gz ADUBTBYNWXUDRY-LLVKDONJSA-N 1 2 284.323 0.778 20 30 CCEDLO CC[C@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000419203875 389888458 /nfs/dbraw/zinc/88/84/58/389888458.db2.gz GAHVNVLNXSLMPP-CQSZACIVSA-N 1 2 269.389 0.959 20 30 CCEDLO CC[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000419203875 389888461 /nfs/dbraw/zinc/88/84/61/389888461.db2.gz GAHVNVLNXSLMPP-CQSZACIVSA-N 1 2 269.389 0.959 20 30 CCEDLO CC[C@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000419203875 389888463 /nfs/dbraw/zinc/88/84/63/389888463.db2.gz GAHVNVLNXSLMPP-CQSZACIVSA-N 1 2 269.389 0.959 20 30 CCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862884 389991609 /nfs/dbraw/zinc/99/16/09/389991609.db2.gz ZSNUQQWCYXUGFV-SMDDNHRTSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862884 389991611 /nfs/dbraw/zinc/99/16/11/389991611.db2.gz ZSNUQQWCYXUGFV-SMDDNHRTSA-N 1 2 265.357 0.763 20 30 CCEDLO N#Cc1ccc(NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000438171497 390002227 /nfs/dbraw/zinc/00/22/27/390002227.db2.gz XBDHGNAMEJNVMF-HNNXBMFYSA-N 1 2 299.378 0.086 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478940215 390081055 /nfs/dbraw/zinc/08/10/55/390081055.db2.gz YKLKLGJKIIOVBK-QWHCGFSZSA-N 1 2 281.356 0.096 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000491408295 390113042 /nfs/dbraw/zinc/11/30/42/390113042.db2.gz VIBPLJKPHMDYOV-OLZOCXBDSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000491408295 390113043 /nfs/dbraw/zinc/11/30/43/390113043.db2.gz VIBPLJKPHMDYOV-OLZOCXBDSA-N 1 2 276.336 0.248 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000534470753 390128936 /nfs/dbraw/zinc/12/89/36/390128936.db2.gz SFPRVDHXRRAUDF-LLVKDONJSA-N 1 2 260.293 0.911 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000534470753 390128938 /nfs/dbraw/zinc/12/89/38/390128938.db2.gz SFPRVDHXRRAUDF-LLVKDONJSA-N 1 2 260.293 0.911 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000493953866 390136682 /nfs/dbraw/zinc/13/66/82/390136682.db2.gz XLDHWMXDGCZAIY-PWSUYJOCSA-N 1 2 253.346 0.723 20 30 CCEDLO C=C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000493953866 390136685 /nfs/dbraw/zinc/13/66/85/390136685.db2.gz XLDHWMXDGCZAIY-PWSUYJOCSA-N 1 2 253.346 0.723 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000579264157 390159381 /nfs/dbraw/zinc/15/93/81/390159381.db2.gz YTLUEVFLWIUCEK-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000579264157 390159387 /nfs/dbraw/zinc/15/93/87/390159387.db2.gz YTLUEVFLWIUCEK-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494314458 390164922 /nfs/dbraw/zinc/16/49/22/390164922.db2.gz KFSFXHOZXBSHKU-NWDGAFQWSA-N 1 2 294.355 0.273 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494314458 390164923 /nfs/dbraw/zinc/16/49/23/390164923.db2.gz KFSFXHOZXBSHKU-NWDGAFQWSA-N 1 2 294.355 0.273 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494320373 390165582 /nfs/dbraw/zinc/16/55/82/390165582.db2.gz XRHKMEMCRMLKSR-CYBMUJFWSA-N 1 2 293.367 0.714 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494320373 390165584 /nfs/dbraw/zinc/16/55/84/390165584.db2.gz XRHKMEMCRMLKSR-CYBMUJFWSA-N 1 2 293.367 0.714 20 30 CCEDLO CC#CC[C@@H](CO)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000645404841 390421530 /nfs/dbraw/zinc/42/15/30/390421530.db2.gz PNQZZVPBQWKIAP-JTQLQIEISA-N 1 2 272.312 0.431 20 30 CCEDLO C=CCn1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)nn1 ZINC000648730501 390396729 /nfs/dbraw/zinc/39/67/29/390396729.db2.gz DSJALEOXBSGZJJ-UHFFFAOYSA-N 1 2 286.339 0.855 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000645264580 390399222 /nfs/dbraw/zinc/39/92/22/390399222.db2.gz FZEBIWNQFUAMCD-MGPQQGTHSA-N 1 2 297.399 0.169 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000645264572 390399431 /nfs/dbraw/zinc/39/94/31/390399431.db2.gz FZEBIWNQFUAMCD-BFHYXJOUSA-N 1 2 297.399 0.169 20 30 CCEDLO N#Cc1cc(Nc2ccn(CC[NH+]3CCOCC3)n2)ncn1 ZINC000555814087 390465762 /nfs/dbraw/zinc/46/57/62/390465762.db2.gz DLFMWMDAPSWCQD-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO N#CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515468091 390475187 /nfs/dbraw/zinc/47/51/87/390475187.db2.gz HNLMWNRUAXJSCG-UHFFFAOYSA-N 1 2 283.309 0.872 20 30 CCEDLO Cc1c(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cnn1C ZINC000561873590 390487622 /nfs/dbraw/zinc/48/76/22/390487622.db2.gz RZBPSMRJIZCSAH-UHFFFAOYSA-N 1 2 275.356 0.723 20 30 CCEDLO Cc1c(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cnn1C ZINC000561873590 390487627 /nfs/dbraw/zinc/48/76/27/390487627.db2.gz RZBPSMRJIZCSAH-UHFFFAOYSA-N 1 2 275.356 0.723 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000646642070 390702510 /nfs/dbraw/zinc/70/25/10/390702510.db2.gz ZEMCJXVYHVSPPS-GFCCVEGCSA-N 1 2 277.324 0.081 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570401136 390718545 /nfs/dbraw/zinc/71/85/45/390718545.db2.gz IJAJTNVUFXSQNI-CYBMUJFWSA-N 1 2 259.313 0.470 20 30 CCEDLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570899364 390723320 /nfs/dbraw/zinc/72/33/20/390723320.db2.gz XIRKGDFZNUGQBF-SGMGOOAPSA-N 1 2 283.372 0.531 20 30 CCEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ncn1 ZINC000526253473 390681048 /nfs/dbraw/zinc/68/10/48/390681048.db2.gz WBESBQSLZXHTNG-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000528621283 390762956 /nfs/dbraw/zinc/76/29/56/390762956.db2.gz NHIFKOBZKUVILE-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000528621283 390762959 /nfs/dbraw/zinc/76/29/59/390762959.db2.gz NHIFKOBZKUVILE-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000572165143 390770884 /nfs/dbraw/zinc/77/08/84/390770884.db2.gz MEVCOYWVJXXYQG-LLVKDONJSA-N 1 2 274.280 0.916 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000572165143 390770885 /nfs/dbraw/zinc/77/08/85/390770885.db2.gz MEVCOYWVJXXYQG-LLVKDONJSA-N 1 2 274.280 0.916 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)nc1 ZINC000571460767 390736797 /nfs/dbraw/zinc/73/67/97/390736797.db2.gz ZFIMZLGDHWNOST-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)nc1 ZINC000571460767 390736799 /nfs/dbraw/zinc/73/67/99/390736799.db2.gz ZFIMZLGDHWNOST-ZDUSSCGKSA-N 1 2 256.309 0.760 20 30 CCEDLO CCN1CCN(c2ccnc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000575002676 390830693 /nfs/dbraw/zinc/83/06/93/390830693.db2.gz TXWFTXMTYZAYKV-LLVKDONJSA-N 1 2 283.339 0.955 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2ncns2)CC1 ZINC000660705499 414452259 /nfs/dbraw/zinc/45/22/59/414452259.db2.gz DYZWEUZVJAGQFA-JTQLQIEISA-N 1 2 254.359 0.597 20 30 CCEDLO C=CCOCCCNC(=O)NCc1[nH+]ccn1C ZINC000660705789 414453990 /nfs/dbraw/zinc/45/39/90/414453990.db2.gz OYAWAOLWMLXUIP-UHFFFAOYSA-N 1 2 252.318 0.812 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000043533774 175062985 /nfs/dbraw/zinc/06/29/85/175062985.db2.gz AFKMUCILNIGZFR-UHFFFAOYSA-N 1 2 280.397 0.876 20 30 CCEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000665046119 415514955 /nfs/dbraw/zinc/51/49/55/415514955.db2.gz QILYMGCCULCIIT-OLZOCXBDSA-N 1 2 262.284 0.098 20 30 CCEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000665046119 415514961 /nfs/dbraw/zinc/51/49/61/415514961.db2.gz QILYMGCCULCIIT-OLZOCXBDSA-N 1 2 262.284 0.098 20 30 CCEDLO Cc1cc[nH+]c(N2CCN(CC(=O)NCC#N)CC2)c1 ZINC000165966080 225270606 /nfs/dbraw/zinc/27/06/06/225270606.db2.gz JYNZWEQXUKIPCN-UHFFFAOYSA-N 1 2 273.340 0.152 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347339910 226119090 /nfs/dbraw/zinc/11/90/90/226119090.db2.gz CSOYNQKIKSSASV-DGCLKSJQSA-N 1 2 271.336 0.543 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347339910 226119093 /nfs/dbraw/zinc/11/90/93/226119093.db2.gz CSOYNQKIKSSASV-DGCLKSJQSA-N 1 2 271.336 0.543 20 30 CCEDLO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000329019417 227259937 /nfs/dbraw/zinc/25/99/37/227259937.db2.gz LHQRHXFAJCWPBM-QWRGUYRKSA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000329019417 227259940 /nfs/dbraw/zinc/25/99/40/227259940.db2.gz LHQRHXFAJCWPBM-QWRGUYRKSA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000329019417 227259943 /nfs/dbraw/zinc/25/99/43/227259943.db2.gz LHQRHXFAJCWPBM-QWRGUYRKSA-N 1 2 293.371 0.587 20 30 CCEDLO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000329019417 227259945 /nfs/dbraw/zinc/25/99/45/227259945.db2.gz LHQRHXFAJCWPBM-QWRGUYRKSA-N 1 2 293.371 0.587 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000332034376 228144607 /nfs/dbraw/zinc/14/46/07/228144607.db2.gz SNUTUJICAIDFGE-CRTZDJKQSA-N 1 2 285.413 0.590 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000332034376 228144608 /nfs/dbraw/zinc/14/46/08/228144608.db2.gz SNUTUJICAIDFGE-CRTZDJKQSA-N 1 2 285.413 0.590 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC000330345816 228161860 /nfs/dbraw/zinc/16/18/60/228161860.db2.gz FQSNUXNULXRUJV-VXGBXAGGSA-N 1 2 293.371 0.518 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329388856 545022116 /nfs/dbraw/zinc/02/21/16/545022116.db2.gz RNTANRCNPQAHPE-POQQGIQPSA-N 1 2 295.383 0.340 20 30 CCEDLO Cc1ocnc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329350813 545022274 /nfs/dbraw/zinc/02/22/74/545022274.db2.gz FENONKAEUSFQQD-UHFFFAOYSA-N 1 2 296.327 0.576 20 30 CCEDLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC(=O)NC1CC1 ZINC000329807366 545026612 /nfs/dbraw/zinc/02/66/12/545026612.db2.gz OPHZRJYYGOYHCA-AOOOYVTPSA-N 1 2 253.302 0.883 20 30 CCEDLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC(=O)NC1CC1 ZINC000329807366 545026614 /nfs/dbraw/zinc/02/66/14/545026614.db2.gz OPHZRJYYGOYHCA-AOOOYVTPSA-N 1 2 253.302 0.883 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CC[C@]2(CCOC2)C1 ZINC000329787087 545026874 /nfs/dbraw/zinc/02/68/74/545026874.db2.gz YJPOWBOBKILPRK-ZDUSSCGKSA-N 1 2 264.329 0.947 20 30 CCEDLO CCn1ncnc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000329941021 545027971 /nfs/dbraw/zinc/02/79/71/545027971.db2.gz BZIWGEQOYGUDRF-LLVKDONJSA-N 1 2 296.375 0.022 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000049000849 260202886 /nfs/dbraw/zinc/20/28/86/260202886.db2.gz XNVBXCMMXSTVCY-YUMQZZPRSA-N 1 2 294.277 0.854 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000049000849 260202888 /nfs/dbraw/zinc/20/28/88/260202888.db2.gz XNVBXCMMXSTVCY-YUMQZZPRSA-N 1 2 294.277 0.854 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000054229947 260216559 /nfs/dbraw/zinc/21/65/59/260216559.db2.gz DHAYAQKTKWLOCS-UHFFFAOYSA-N 1 2 251.286 0.468 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCOCC2)ccc1F ZINC000063458108 260240130 /nfs/dbraw/zinc/24/01/30/260240130.db2.gz IISYAPRIFRKQOF-UHFFFAOYSA-N 1 2 295.314 0.630 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000081314793 260332219 /nfs/dbraw/zinc/33/22/19/260332219.db2.gz JODQFTVSNHQSQX-ZDUSSCGKSA-N 1 2 275.356 0.575 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121132957 260708041 /nfs/dbraw/zinc/70/80/41/260708041.db2.gz DTVDHVPQTBVSTM-GXTWGEPZSA-N 1 2 272.352 0.743 20 30 CCEDLO C[C@@H](C(=O)N(CC#N)CC#N)[NH+]1CCSCC1 ZINC000151903192 261056522 /nfs/dbraw/zinc/05/65/22/261056522.db2.gz YHLZLECDOOCFCA-JTQLQIEISA-N 1 2 252.343 0.299 20 30 CCEDLO C=CCOC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000360743008 261099008 /nfs/dbraw/zinc/09/90/08/261099008.db2.gz BSUNTLRNZAEJCG-SNVBAGLBSA-N 1 2 267.285 0.192 20 30 CCEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NC1CC1 ZINC000158152242 261160048 /nfs/dbraw/zinc/16/00/48/261160048.db2.gz BSSDJEZRIDZFHS-SECBINFHSA-N 1 2 289.335 0.926 20 30 CCEDLO CC[N@H+](CC(=O)NCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497200057 262103673 /nfs/dbraw/zinc/10/36/73/262103673.db2.gz FHTQVHLNXYWFOC-UHFFFAOYSA-N 1 2 296.371 0.567 20 30 CCEDLO CC[N@@H+](CC(=O)NCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497200057 262103674 /nfs/dbraw/zinc/10/36/74/262103674.db2.gz FHTQVHLNXYWFOC-UHFFFAOYSA-N 1 2 296.371 0.567 20 30 CCEDLO CC#CCN1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000160589035 262286249 /nfs/dbraw/zinc/28/62/49/262286249.db2.gz JPDYYLCDGPQKRN-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000160589035 262286251 /nfs/dbraw/zinc/28/62/51/262286251.db2.gz JPDYYLCDGPQKRN-AWEZNQCLSA-N 1 2 281.400 0.169 20 30 CCEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000271936110 263000333 /nfs/dbraw/zinc/00/03/33/263000333.db2.gz AKFFJHKUJKURKG-UHFFFAOYSA-N 1 2 299.374 0.992 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCNC(=O)[C@H]2C(C)C)C1=O ZINC000281927891 263073054 /nfs/dbraw/zinc/07/30/54/263073054.db2.gz HUBOBNONGVDBFG-VXGBXAGGSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCNC(=O)[C@H]2C(C)C)C1=O ZINC000281927891 263073055 /nfs/dbraw/zinc/07/30/55/263073055.db2.gz HUBOBNONGVDBFG-VXGBXAGGSA-N 1 2 265.357 0.230 20 30 CCEDLO Cc1ccc(C(N)=[NH+]OC[C@H]2CNC(=O)O2)cc1F ZINC000282204304 263075165 /nfs/dbraw/zinc/07/51/65/263075165.db2.gz IOGNYWPSFPFQNW-SECBINFHSA-N 1 2 267.260 0.879 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000288952724 263106678 /nfs/dbraw/zinc/10/66/78/263106678.db2.gz AGNKYKAQWGAXIO-UKTHLTGXSA-N 1 2 251.286 0.556 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000341172605 263325476 /nfs/dbraw/zinc/32/54/76/263325476.db2.gz UZAHWBDDGBNBFR-UHFFFAOYSA-N 1 2 291.399 0.446 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC000960502782 649854868 /nfs/dbraw/zinc/85/48/68/649854868.db2.gz NXYXLTQRIBWTFN-VXGBXAGGSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC000960502782 649854869 /nfs/dbraw/zinc/85/48/69/649854869.db2.gz NXYXLTQRIBWTFN-VXGBXAGGSA-N 1 2 290.371 0.398 20 30 CCEDLO CCNC(=O)C1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328689323 263843567 /nfs/dbraw/zinc/84/35/67/263843567.db2.gz QJNPLWXRQBPOBX-UHFFFAOYSA-N 1 2 283.372 0.532 20 30 CCEDLO Cc1ncccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330436109 263922219 /nfs/dbraw/zinc/92/22/19/263922219.db2.gz BEBMHOHVNKYZNS-LBPRGKRZSA-N 1 2 279.340 0.388 20 30 CCEDLO CC[C@@](C)(O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330632445 264000291 /nfs/dbraw/zinc/00/02/91/264000291.db2.gz ICUSHQPVZDONQE-CQSZACIVSA-N 1 2 287.404 0.762 20 30 CCEDLO CC[C@@](C)(O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330632445 264000294 /nfs/dbraw/zinc/00/02/94/264000294.db2.gz ICUSHQPVZDONQE-CQSZACIVSA-N 1 2 287.404 0.762 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[S@]1=O ZINC000330632760 264001081 /nfs/dbraw/zinc/00/10/81/264001081.db2.gz RJUIURAZDINVTD-BBATYDOGSA-N 1 2 271.386 0.201 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[S@]1=O ZINC000330632760 264001084 /nfs/dbraw/zinc/00/10/84/264001084.db2.gz RJUIURAZDINVTD-BBATYDOGSA-N 1 2 271.386 0.201 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330778697 264034902 /nfs/dbraw/zinc/03/49/02/264034902.db2.gz LOBIULOURIBORH-AWEZNQCLSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](CO)C1 ZINC000330830250 264050063 /nfs/dbraw/zinc/05/00/63/264050063.db2.gz UFLHWDGKZCNBSV-GHMZBOCLSA-N 1 2 252.318 0.500 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@H](CO)C1 ZINC000330830250 264050065 /nfs/dbraw/zinc/05/00/65/264050065.db2.gz UFLHWDGKZCNBSV-GHMZBOCLSA-N 1 2 252.318 0.500 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330784956 264053402 /nfs/dbraw/zinc/05/34/02/264053402.db2.gz SNWNNNWQYHDTOD-SECBINFHSA-N 1 2 265.317 0.137 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330943112 264084260 /nfs/dbraw/zinc/08/42/60/264084260.db2.gz HDWHSDLWDAQLBJ-VHSXEESVSA-N 1 2 256.350 0.109 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330943112 264084262 /nfs/dbraw/zinc/08/42/62/264084262.db2.gz HDWHSDLWDAQLBJ-VHSXEESVSA-N 1 2 256.350 0.109 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000330957277 264088475 /nfs/dbraw/zinc/08/84/75/264088475.db2.gz VTNIGUROPSONDX-HTQZYQBOSA-N 1 2 296.293 0.261 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000330957277 264088477 /nfs/dbraw/zinc/08/84/77/264088477.db2.gz VTNIGUROPSONDX-HTQZYQBOSA-N 1 2 296.293 0.261 20 30 CCEDLO C[C@H](O)C[C@H]1COCCN1C(=O)NCc1[nH+]ccn1C ZINC000331008400 264106591 /nfs/dbraw/zinc/10/65/91/264106591.db2.gz UHSGKMHFPQLYTR-QWRGUYRKSA-N 1 2 282.344 0.306 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000331060454 264110284 /nfs/dbraw/zinc/11/02/84/264110284.db2.gz NLRSMRFZSACDKX-UHFFFAOYSA-N 1 2 286.335 0.343 20 30 CCEDLO CCN(CC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343267925 264280381 /nfs/dbraw/zinc/28/03/81/264280381.db2.gz BQUJMZXFRMESCE-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000189648539 264317255 /nfs/dbraw/zinc/31/72/55/264317255.db2.gz QBDJFXLSRPGLKZ-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000054315586 264337118 /nfs/dbraw/zinc/33/71/18/264337118.db2.gz KUGXHOJOBHNVBT-UHFFFAOYSA-N 1 2 293.371 0.052 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802451 264344082 /nfs/dbraw/zinc/34/40/82/264344082.db2.gz UTEKUMRNEOYXAX-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000076802451 264344083 /nfs/dbraw/zinc/34/40/83/264344083.db2.gz UTEKUMRNEOYXAX-QWHCGFSZSA-N 1 2 294.399 0.547 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132418318 264388684 /nfs/dbraw/zinc/38/86/84/264388684.db2.gz YSGPWLFIKHQCDU-LLVKDONJSA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132418318 264388685 /nfs/dbraw/zinc/38/86/85/264388685.db2.gz YSGPWLFIKHQCDU-LLVKDONJSA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)OC)C1=O ZINC000281931972 264500378 /nfs/dbraw/zinc/50/03/78/264500378.db2.gz IAXFSUZESNDEAS-WDEREUQCSA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)OC)C1=O ZINC000281931972 264500380 /nfs/dbraw/zinc/50/03/80/264500380.db2.gz IAXFSUZESNDEAS-WDEREUQCSA-N 1 2 252.314 0.411 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282806479 264505415 /nfs/dbraw/zinc/50/54/15/264505415.db2.gz QOGNMOAXDXAGOO-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CC1 ZINC000060855790 264519351 /nfs/dbraw/zinc/51/93/51/264519351.db2.gz YBLMMXFBMRCHOZ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356735156 266167508 /nfs/dbraw/zinc/16/75/08/266167508.db2.gz DSSNUVBLAIHVEX-WOPDTQHZSA-N 1 2 251.330 0.468 20 30 CCEDLO C=C[C@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000362664328 267031899 /nfs/dbraw/zinc/03/18/99/267031899.db2.gz ILDJEOLFQOFFRK-LBPRGKRZSA-N 1 2 293.371 0.911 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368891266 267212149 /nfs/dbraw/zinc/21/21/49/267212149.db2.gz BMRGPYKXNZCQPU-IUODEOHRSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000368891266 267212150 /nfs/dbraw/zinc/21/21/50/267212150.db2.gz BMRGPYKXNZCQPU-IUODEOHRSA-N 1 2 294.399 0.641 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(C#N)cc1 ZINC000519695135 267282899 /nfs/dbraw/zinc/28/28/99/267282899.db2.gz HCLZFIYLVLCMQR-OAHLLOKOSA-N 1 2 286.335 0.897 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000118395425 290221263 /nfs/dbraw/zinc/22/12/63/290221263.db2.gz CJHXEGIHXFLAMW-MFKMUULPSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@H](C#N)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000182543532 335826268 /nfs/dbraw/zinc/82/62/68/335826268.db2.gz WOQOUZWQCFCMGT-MNOVXSKESA-N 1 2 254.334 0.166 20 30 CCEDLO [O-]C(=[NH+]C1CCOCC1)N1CCn2c[nH+]cc2C1 ZINC000329621048 295377118 /nfs/dbraw/zinc/37/71/18/295377118.db2.gz RJVNZDMQSXPQHD-UHFFFAOYSA-N 1 2 250.302 0.792 20 30 CCEDLO O=C(NC1CCOCC1)N1CCn2c[nH+]cc2C1 ZINC000329621048 295377119 /nfs/dbraw/zinc/37/71/19/295377119.db2.gz RJVNZDMQSXPQHD-UHFFFAOYSA-N 1 2 250.302 0.792 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161103419 328131867 /nfs/dbraw/zinc/13/18/67/328131867.db2.gz AFDRJYRNIUUBHG-NSHDSACASA-N 1 2 250.346 0.933 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161103419 328131869 /nfs/dbraw/zinc/13/18/69/328131869.db2.gz AFDRJYRNIUUBHG-NSHDSACASA-N 1 2 250.346 0.933 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305104048 328393696 /nfs/dbraw/zinc/39/36/96/328393696.db2.gz AVVKSGLUBZXWII-NSHDSACASA-N 1 2 280.290 0.924 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000380533421 328546765 /nfs/dbraw/zinc/54/67/65/328546765.db2.gz ABKXZEBOSYLHDG-UHFFFAOYSA-N 1 2 294.380 0.588 20 30 CCEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000559794985 327262536 /nfs/dbraw/zinc/26/25/36/327262536.db2.gz SVARSGNJVXEWDW-HRCADAONSA-N 1 2 287.363 0.629 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CC1 ZINC000560830523 327346408 /nfs/dbraw/zinc/34/64/08/327346408.db2.gz RAKNWTOKOMOJQX-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000160051182 327589444 /nfs/dbraw/zinc/58/94/44/327589444.db2.gz OXURQJPZFFFDMN-LBPRGKRZSA-N 1 2 285.413 0.812 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115605127 328664165 /nfs/dbraw/zinc/66/41/65/328664165.db2.gz WAUHETJMHMZLPP-NEPJUHHUSA-N 1 2 298.350 0.451 20 30 CCEDLO C#CCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000377338765 329011801 /nfs/dbraw/zinc/01/18/01/329011801.db2.gz BLBSRKLRPMRZKW-STQMWFEESA-N 1 2 286.397 0.135 20 30 CCEDLO N#CCC[N@@H+](CCCCO)CCN1CCOCC1 ZINC000176265266 329175920 /nfs/dbraw/zinc/17/59/20/329175920.db2.gz OXPOHEZSJQDZTP-UHFFFAOYSA-N 1 2 255.362 0.307 20 30 CCEDLO N#CCC[N@H+](CCCCO)CCN1CCOCC1 ZINC000176265266 329175922 /nfs/dbraw/zinc/17/59/22/329175922.db2.gz OXPOHEZSJQDZTP-UHFFFAOYSA-N 1 2 255.362 0.307 20 30 CCEDLO N#CCCN(CCCCO)CC[NH+]1CCOCC1 ZINC000176265266 329175923 /nfs/dbraw/zinc/17/59/23/329175923.db2.gz OXPOHEZSJQDZTP-UHFFFAOYSA-N 1 2 255.362 0.307 20 30 CCEDLO Cn1ccnc1CN1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000583140163 329320754 /nfs/dbraw/zinc/32/07/54/329320754.db2.gz QCFXETUJINWLPE-NSHDSACASA-N 1 2 261.329 0.414 20 30 CCEDLO Cc1cnn(CC[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000583211737 329368241 /nfs/dbraw/zinc/36/82/41/329368241.db2.gz FFAGGEYOHDGVDF-UHFFFAOYSA-N 1 2 261.329 0.249 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000564112188 329674265 /nfs/dbraw/zinc/67/42/65/329674265.db2.gz DXSOXCABPLQOTK-ZYHUDNBSSA-N 1 2 260.297 0.196 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000424130463 330261546 /nfs/dbraw/zinc/26/15/46/330261546.db2.gz FJNQQTUSEFSUCY-NSHDSACASA-N 1 2 266.297 0.117 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000424138308 330276546 /nfs/dbraw/zinc/27/65/46/330276546.db2.gz PYOCJGXYHPKLAD-CQSZACIVSA-N 1 2 276.336 0.524 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451888056 331046319 /nfs/dbraw/zinc/04/63/19/331046319.db2.gz ILINCCXJMLDQPH-BETUJISGSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451888056 331046320 /nfs/dbraw/zinc/04/63/20/331046320.db2.gz ILINCCXJMLDQPH-BETUJISGSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000454477824 331147037 /nfs/dbraw/zinc/14/70/37/331147037.db2.gz DCHGYEUWGLFTPR-LBPRGKRZSA-N 1 2 268.405 0.744 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000454477824 331147038 /nfs/dbraw/zinc/14/70/38/331147038.db2.gz DCHGYEUWGLFTPR-LBPRGKRZSA-N 1 2 268.405 0.744 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207744 331186487 /nfs/dbraw/zinc/18/64/87/331186487.db2.gz TWRJMBNDJNSSFW-SCRDCRAPSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207744 331186488 /nfs/dbraw/zinc/18/64/88/331186488.db2.gz TWRJMBNDJNSSFW-SCRDCRAPSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000456772470 331202425 /nfs/dbraw/zinc/20/24/25/331202425.db2.gz WVYHLARXLIRMLP-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO CC[C@@H](C(=O)N(CC#N)CCOC)[N@@H+]1CCO[C@H](CC)C1 ZINC000457206496 331215893 /nfs/dbraw/zinc/21/58/93/331215893.db2.gz SIGFIJAJYDXECR-KGLIPLIRSA-N 1 2 297.399 0.874 20 30 CCEDLO CC[C@@H](C(=O)N(CC#N)CCOC)[N@H+]1CCO[C@H](CC)C1 ZINC000457206496 331215894 /nfs/dbraw/zinc/21/58/94/331215894.db2.gz SIGFIJAJYDXECR-KGLIPLIRSA-N 1 2 297.399 0.874 20 30 CCEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000458984867 331263917 /nfs/dbraw/zinc/26/39/17/331263917.db2.gz HCDNXHKFLCKPHG-UHFFFAOYSA-N 1 2 296.415 0.790 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000491068025 332145083 /nfs/dbraw/zinc/14/50/83/332145083.db2.gz MDLLWRQDWYSCTO-CQSZACIVSA-N 1 2 280.368 0.837 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCCOCC)CC1 ZINC000491156135 332158508 /nfs/dbraw/zinc/15/85/08/332158508.db2.gz YAUPEACGFDSMFL-UHFFFAOYSA-N 1 2 291.399 0.768 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491275364 332178780 /nfs/dbraw/zinc/17/87/80/332178780.db2.gz DGTSGJBTGPBHSF-JHJVBQTASA-N 1 2 267.373 0.807 20 30 CCEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(N)=O ZINC000491298729 332185147 /nfs/dbraw/zinc/18/51/47/332185147.db2.gz XBMXTHJQBKEHFI-SNVBAGLBSA-N 1 2 277.299 0.844 20 30 CCEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(N)=O ZINC000491298729 332185149 /nfs/dbraw/zinc/18/51/49/332185149.db2.gz XBMXTHJQBKEHFI-SNVBAGLBSA-N 1 2 277.299 0.844 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000491326056 332189939 /nfs/dbraw/zinc/18/99/39/332189939.db2.gz JLWJNYNTFLLJGM-GFCCVEGCSA-N 1 2 258.321 0.939 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000491326056 332189941 /nfs/dbraw/zinc/18/99/41/332189941.db2.gz JLWJNYNTFLLJGM-GFCCVEGCSA-N 1 2 258.321 0.939 20 30 CCEDLO C#CCN(C(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000491451761 332213862 /nfs/dbraw/zinc/21/38/62/332213862.db2.gz HWMBWXHJJTZMJZ-UHFFFAOYSA-N 1 2 251.330 0.126 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491627092 332250774 /nfs/dbraw/zinc/25/07/74/332250774.db2.gz JPOMTDQXMMXDLO-CYBMUJFWSA-N 1 2 295.383 0.141 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491627092 332250776 /nfs/dbraw/zinc/25/07/76/332250776.db2.gz JPOMTDQXMMXDLO-CYBMUJFWSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCO[C@@H](C)C#N)n1 ZINC000491639987 332260049 /nfs/dbraw/zinc/26/00/49/332260049.db2.gz XKIRDCYGGTUBIG-AWEZNQCLSA-N 1 2 290.367 0.893 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCO[C@@H](C)C#N)n1 ZINC000491639987 332260050 /nfs/dbraw/zinc/26/00/50/332260050.db2.gz XKIRDCYGGTUBIG-AWEZNQCLSA-N 1 2 290.367 0.893 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2CF)CC1 ZINC000491665586 332274231 /nfs/dbraw/zinc/27/42/31/332274231.db2.gz VMDZWUXMWOQYRO-ZDUSSCGKSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2CF)CC1 ZINC000491665586 332274232 /nfs/dbraw/zinc/27/42/32/332274232.db2.gz VMDZWUXMWOQYRO-ZDUSSCGKSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccoc2)CC1 ZINC000491706252 332299107 /nfs/dbraw/zinc/29/91/07/332299107.db2.gz QUMMYLZVLQYYBR-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccoc2)CC1 ZINC000491706252 332299108 /nfs/dbraw/zinc/29/91/08/332299108.db2.gz QUMMYLZVLQYYBR-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000491713069 332304075 /nfs/dbraw/zinc/30/40/75/332304075.db2.gz AWQGWKRQROKSQK-UHFFFAOYSA-N 1 2 289.335 0.839 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC000491715398 332305744 /nfs/dbraw/zinc/30/57/44/332305744.db2.gz JSIIWDFIRFAQIS-NSHDSACASA-N 1 2 291.317 0.552 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(OC)nc2)CC1 ZINC000491747960 332325302 /nfs/dbraw/zinc/32/53/02/332325302.db2.gz NYRNYAMMWGWSKK-UHFFFAOYSA-N 1 2 274.324 0.873 20 30 CCEDLO C#CCN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491809805 332362514 /nfs/dbraw/zinc/36/25/14/332362514.db2.gz XWPNKJPXYQHVEK-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CN(C)C ZINC000493829609 332455655 /nfs/dbraw/zinc/45/56/55/332455655.db2.gz XJTPBCSERMPCRM-PSKZRQQASA-N 1 2 275.356 0.876 20 30 CCEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]CCC#N)CC1 ZINC000496638804 332555385 /nfs/dbraw/zinc/55/53/85/332555385.db2.gz GRMARKSNGFXLEI-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000516956543 333087962 /nfs/dbraw/zinc/08/79/62/333087962.db2.gz MSNYGMWJPYJIQB-UHFFFAOYSA-N 1 2 291.355 0.180 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000516956543 333087963 /nfs/dbraw/zinc/08/79/63/333087963.db2.gz MSNYGMWJPYJIQB-UHFFFAOYSA-N 1 2 291.355 0.180 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccccc1OC ZINC000192229610 333233030 /nfs/dbraw/zinc/23/30/30/333233030.db2.gz VSNDJMJUBHLYNB-UHFFFAOYSA-N 1 2 260.337 0.919 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCc1ccccc1OC ZINC000192229610 333233031 /nfs/dbraw/zinc/23/30/31/333233031.db2.gz VSNDJMJUBHLYNB-UHFFFAOYSA-N 1 2 260.337 0.919 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195316178 333250264 /nfs/dbraw/zinc/25/02/64/333250264.db2.gz BGLMNTMWOKGHQP-HZSPNIEDSA-N 1 2 281.400 0.165 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195316178 333250265 /nfs/dbraw/zinc/25/02/65/333250265.db2.gz BGLMNTMWOKGHQP-HZSPNIEDSA-N 1 2 281.400 0.165 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528613733 333449387 /nfs/dbraw/zinc/44/93/87/333449387.db2.gz WLKCOIUSYOBKPR-LBPRGKRZSA-N 1 2 288.413 0.423 20 30 CCEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(=O)[nH][nH]1)C(C)C ZINC000133117017 334017505 /nfs/dbraw/zinc/01/75/05/334017505.db2.gz PFPIZKJFEDNFGZ-NSHDSACASA-N 1 2 293.371 0.526 20 30 CCEDLO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000135338681 334126547 /nfs/dbraw/zinc/12/65/47/334126547.db2.gz HTAACTMHSLENQQ-DGCLKSJQSA-N 1 2 279.340 0.676 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CSC)[C@H]1CCS(=O)(=O)C1 ZINC000249456076 334334276 /nfs/dbraw/zinc/33/42/76/334334276.db2.gz NNJPONSHXWPPDU-WDEREUQCSA-N 1 2 279.427 0.385 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CSC)[C@H]1CCS(=O)(=O)C1 ZINC000249456076 334334277 /nfs/dbraw/zinc/33/42/77/334334277.db2.gz NNJPONSHXWPPDU-WDEREUQCSA-N 1 2 279.427 0.385 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000249503053 334335002 /nfs/dbraw/zinc/33/50/02/334335002.db2.gz XSTAZDRELMELIG-IHRRRGAJSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000249503053 334335004 /nfs/dbraw/zinc/33/50/04/334335004.db2.gz XSTAZDRELMELIG-IHRRRGAJSA-N 1 2 282.384 0.657 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249542957 334336062 /nfs/dbraw/zinc/33/60/62/334336062.db2.gz FLPXEDGWHKQCFC-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249542957 334336064 /nfs/dbraw/zinc/33/60/64/334336064.db2.gz FLPXEDGWHKQCFC-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184725879 335932072 /nfs/dbraw/zinc/93/20/72/335932072.db2.gz WFBSVZJCHFTDSQ-LLVKDONJSA-N 1 2 295.339 0.877 20 30 CCEDLO Cc1cc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425241457 534035133 /nfs/dbraw/zinc/03/51/33/534035133.db2.gz AMPGHGYTEVGTLO-NSHDSACASA-N 1 2 294.380 0.377 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC001266696858 791151960 /nfs/dbraw/zinc/15/19/60/791151960.db2.gz UUSNRVVJMYKCOE-GFCCVEGCSA-N 1 2 279.340 0.569 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448893610 534675837 /nfs/dbraw/zinc/67/58/37/534675837.db2.gz DQNDZFOWVBZUJU-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448893610 534675845 /nfs/dbraw/zinc/67/58/45/534675845.db2.gz DQNDZFOWVBZUJU-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC#N ZINC000332679419 534786887 /nfs/dbraw/zinc/78/68/87/534786887.db2.gz JQSDBXHYUMPKHS-QWRGUYRKSA-N 1 2 279.319 0.362 20 30 CCEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000347025317 526279794 /nfs/dbraw/zinc/27/97/94/526279794.db2.gz AAUBGLCEAOZDDZ-UHFFFAOYSA-N 1 2 266.345 0.135 20 30 CCEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000347025317 526279799 /nfs/dbraw/zinc/27/97/99/526279799.db2.gz AAUBGLCEAOZDDZ-UHFFFAOYSA-N 1 2 266.345 0.135 20 30 CCEDLO C=C(C)C[N@H+](CC(=O)NC(N)=O)Cc1ccc(CO)o1 ZINC000352802189 526509757 /nfs/dbraw/zinc/50/97/57/526509757.db2.gz LXCFHJMBMNLDOW-UHFFFAOYSA-N 1 2 281.312 0.345 20 30 CCEDLO C=C(C)C[N@@H+](CC(=O)NC(N)=O)Cc1ccc(CO)o1 ZINC000352802189 526509761 /nfs/dbraw/zinc/50/97/61/526509761.db2.gz LXCFHJMBMNLDOW-UHFFFAOYSA-N 1 2 281.312 0.345 20 30 CCEDLO C=CCNC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000347720882 526541070 /nfs/dbraw/zinc/54/10/70/526541070.db2.gz NFMQYPMTGCHFKH-UHFFFAOYSA-N 1 2 274.368 0.814 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1ncccn1 ZINC001266696545 791151991 /nfs/dbraw/zinc/15/19/91/791151991.db2.gz LUNHYJHBRXZASI-LBPRGKRZSA-N 1 2 276.340 0.063 20 30 CCEDLO C=C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331412605 527404830 /nfs/dbraw/zinc/40/48/30/527404830.db2.gz CQODRKBXKXMATF-LLVKDONJSA-N 1 2 253.346 0.725 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668105780 545163599 /nfs/dbraw/zinc/16/35/99/545163599.db2.gz GWKMHQBDZGYXSO-ZETCQYMHSA-N 1 2 263.219 0.609 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000668565070 545182022 /nfs/dbraw/zinc/18/20/22/545182022.db2.gz YIDKUUMUAUTKMJ-CHWSQXEVSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000668570443 545182232 /nfs/dbraw/zinc/18/22/32/545182232.db2.gz XRLKDTSRGMPESU-GFCCVEGCSA-N 1 2 294.355 0.097 20 30 CCEDLO CCOC(=O)[C@@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425245486 527921806 /nfs/dbraw/zinc/92/18/06/527921806.db2.gz JMEBYQKANSUAPS-ZDUSSCGKSA-N 1 2 263.297 0.410 20 30 CCEDLO CN(CC#CC[N@H+](C)Cc1cn[nH]c1)Cc1cn[nH]c1 ZINC000671242263 545244702 /nfs/dbraw/zinc/24/47/02/545244702.db2.gz QKMBGNLLFOMNNX-UHFFFAOYSA-N 1 2 272.356 0.700 20 30 CCEDLO CN(CC#CC[N@@H+](C)Cc1cn[nH]c1)Cc1cn[nH]c1 ZINC000671242263 545244703 /nfs/dbraw/zinc/24/47/03/545244703.db2.gz QKMBGNLLFOMNNX-UHFFFAOYSA-N 1 2 272.356 0.700 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448949721 528746170 /nfs/dbraw/zinc/74/61/70/528746170.db2.gz JYIHFFWFUDIIDE-UHFFFAOYSA-N 1 2 290.367 0.691 20 30 CCEDLO CC(C)(CNc1nccnc1C#N)[NH+]1CCOCC1 ZINC000263921376 535157787 /nfs/dbraw/zinc/15/77/87/535157787.db2.gz URMOCAHRUWATRF-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339888 545341926 /nfs/dbraw/zinc/34/19/26/545341926.db2.gz KCZDDBJUDNAZSM-ZDUSSCGKSA-N 1 2 268.357 0.512 20 30 CCEDLO COCC#CC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000677820119 545373594 /nfs/dbraw/zinc/37/35/94/545373594.db2.gz GTGPBXCGXGCMAN-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO COCC#CC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000677820119 545373595 /nfs/dbraw/zinc/37/35/95/545373595.db2.gz GTGPBXCGXGCMAN-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682522094 545482009 /nfs/dbraw/zinc/48/20/09/545482009.db2.gz JEWRDTGOECJFNV-NWDGAFQWSA-N 1 2 263.341 0.746 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000683528910 545544464 /nfs/dbraw/zinc/54/44/64/545544464.db2.gz FQOHZSFDWFGKDF-LBPRGKRZSA-N 1 2 261.387 0.823 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000683839866 545570626 /nfs/dbraw/zinc/57/06/26/545570626.db2.gz PFHSFWHMQVQRCI-MGPQQGTHSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000683839866 545570627 /nfs/dbraw/zinc/57/06/27/545570627.db2.gz PFHSFWHMQVQRCI-MGPQQGTHSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@H]1CCCO1 ZINC000790271583 581182305 /nfs/dbraw/zinc/18/23/05/581182305.db2.gz QINOHXBUDHZEDC-MELADBBJSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@H]1CCCO1 ZINC000790271583 581182306 /nfs/dbraw/zinc/18/23/06/581182306.db2.gz QINOHXBUDHZEDC-MELADBBJSA-N 1 2 280.368 0.394 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000780089977 581219164 /nfs/dbraw/zinc/21/91/64/581219164.db2.gz QQOFKDCXRWUGHW-CYBMUJFWSA-N 1 2 275.308 0.472 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274811 581103263 /nfs/dbraw/zinc/10/32/63/581103263.db2.gz DLADSOYJYNEVHM-NWDGAFQWSA-N 1 2 298.346 0.875 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274811 581103264 /nfs/dbraw/zinc/10/32/64/581103264.db2.gz DLADSOYJYNEVHM-NWDGAFQWSA-N 1 2 298.346 0.875 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790361555 581185123 /nfs/dbraw/zinc/18/51/23/581185123.db2.gz WRPWNJKCLOIGLX-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790361555 581185124 /nfs/dbraw/zinc/18/51/24/581185124.db2.gz WRPWNJKCLOIGLX-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000779797094 581206099 /nfs/dbraw/zinc/20/60/99/581206099.db2.gz ACQDAKBRYFDOSR-SSDOTTSWSA-N 1 2 277.284 0.962 20 30 CCEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784228902 581376604 /nfs/dbraw/zinc/37/66/04/581376604.db2.gz RIEBKUIJCMGSDJ-GFCCVEGCSA-N 1 2 293.367 0.966 20 30 CCEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784228902 581376606 /nfs/dbraw/zinc/37/66/06/581376606.db2.gz RIEBKUIJCMGSDJ-GFCCVEGCSA-N 1 2 293.367 0.966 20 30 CCEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000784551034 581388355 /nfs/dbraw/zinc/38/83/55/581388355.db2.gz TTWJZETVOXXUEU-UHFFFAOYSA-N 1 2 291.351 0.757 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000796557817 581443486 /nfs/dbraw/zinc/44/34/86/581443486.db2.gz IMDDQTAFIRRYTJ-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000796557817 581443489 /nfs/dbraw/zinc/44/34/89/581443489.db2.gz IMDDQTAFIRRYTJ-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787064596 581457099 /nfs/dbraw/zinc/45/70/99/581457099.db2.gz BTBDCADOIPZKNH-ZDUSSCGKSA-N 1 2 255.321 0.931 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000787762616 581477347 /nfs/dbraw/zinc/47/73/47/581477347.db2.gz WYMGKKAASMLYGD-ZDUSSCGKSA-N 1 2 297.399 0.246 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000728859822 581512639 /nfs/dbraw/zinc/51/26/39/581512639.db2.gz BSUPFNZSVGOWIW-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#CCOCCNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000753229541 581532234 /nfs/dbraw/zinc/53/22/34/581532234.db2.gz XQJPRGDWEKRWPB-HNNXBMFYSA-N 1 2 296.411 0.889 20 30 CCEDLO C#CCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766060024 581548323 /nfs/dbraw/zinc/54/83/23/581548323.db2.gz QQJSSOCOGRWFFE-UHFFFAOYSA-N 1 2 274.386 0.042 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2c[nH]nn2)c1 ZINC000734329370 581555960 /nfs/dbraw/zinc/55/59/60/581555960.db2.gz GOPQSOTWZVNJOU-UHFFFAOYSA-N 1 2 283.335 0.899 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2c[nH]nn2)c1 ZINC000734329370 581555963 /nfs/dbraw/zinc/55/59/63/581555963.db2.gz GOPQSOTWZVNJOU-UHFFFAOYSA-N 1 2 283.335 0.899 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2cn[nH]n2)c1 ZINC000734329370 581555965 /nfs/dbraw/zinc/55/59/65/581555965.db2.gz GOPQSOTWZVNJOU-UHFFFAOYSA-N 1 2 283.335 0.899 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2cn[nH]n2)c1 ZINC000734329370 581555968 /nfs/dbraw/zinc/55/59/68/581555968.db2.gz GOPQSOTWZVNJOU-UHFFFAOYSA-N 1 2 283.335 0.899 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000767794725 581631811 /nfs/dbraw/zinc/63/18/11/581631811.db2.gz JBJQJQMZTAUSPF-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO Cn1c[nH+]cc1C=NNS(=O)(=O)c1ccccc1 ZINC000755472360 581642165 /nfs/dbraw/zinc/64/21/65/581642165.db2.gz QQEAHSCVFJNFJX-UHFFFAOYSA-N 1 2 264.310 0.733 20 30 CCEDLO Cn1c[nH+]cc1C=NNC(=S)NC[C@H]1CCCO1 ZINC000755520784 581644154 /nfs/dbraw/zinc/64/41/54/581644154.db2.gz HAUMCWOOKUYBJI-SNVBAGLBSA-N 1 2 267.358 0.397 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1O ZINC000768769391 581655004 /nfs/dbraw/zinc/65/50/04/581655004.db2.gz RFJWLXJKKNSJHV-BXUZGUMPSA-N 1 2 298.346 0.733 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1O ZINC000768769391 581655006 /nfs/dbraw/zinc/65/50/06/581655006.db2.gz RFJWLXJKKNSJHV-BXUZGUMPSA-N 1 2 298.346 0.733 20 30 CCEDLO C#CC[N@@H+](CCS(N)(=O)=O)Cc1ccc(F)cc1 ZINC000735919177 581674546 /nfs/dbraw/zinc/67/45/46/581674546.db2.gz CMEWKZXMNSDEGJ-UHFFFAOYSA-N 1 2 270.329 0.549 20 30 CCEDLO C#CC[N@H+](CCS(N)(=O)=O)Cc1ccc(F)cc1 ZINC000735919177 581674547 /nfs/dbraw/zinc/67/45/47/581674547.db2.gz CMEWKZXMNSDEGJ-UHFFFAOYSA-N 1 2 270.329 0.549 20 30 CCEDLO C[C@H]1C[N@H+](C)CC1=NNc1nc(=O)c2cnn(C)c2[nH]1 ZINC000769809034 581708236 /nfs/dbraw/zinc/70/82/36/581708236.db2.gz REKWLDQQQNFCDO-ZETCQYMHSA-N 1 2 275.316 0.418 20 30 CCEDLO C[C@H]1C[N@@H+](C)CC1=NNc1nc(=O)c2cnn(C)c2[nH]1 ZINC000769809034 581708239 /nfs/dbraw/zinc/70/82/39/581708239.db2.gz REKWLDQQQNFCDO-ZETCQYMHSA-N 1 2 275.316 0.418 20 30 CCEDLO C#C[C@@H](C)N(C)CCS(=O)(=O)CC[N@H+](C)[C@H](C)C#C ZINC000769961605 581718152 /nfs/dbraw/zinc/71/81/52/581718152.db2.gz RUUMBDHATLCBTA-ZIAGYGMSSA-N 1 2 284.425 0.308 20 30 CCEDLO C#C[C@@H](C)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@H](C)C#C ZINC000769961605 581718156 /nfs/dbraw/zinc/71/81/56/581718156.db2.gz RUUMBDHATLCBTA-ZIAGYGMSSA-N 1 2 284.425 0.308 20 30 CCEDLO N#CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382980 581748654 /nfs/dbraw/zinc/74/86/54/581748654.db2.gz KJJAFAQNZYMBCI-ZDUSSCGKSA-N 1 2 260.293 0.954 20 30 CCEDLO N#CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382980 581748657 /nfs/dbraw/zinc/74/86/57/581748657.db2.gz KJJAFAQNZYMBCI-ZDUSSCGKSA-N 1 2 260.293 0.954 20 30 CCEDLO CC#CCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000788155551 581751072 /nfs/dbraw/zinc/75/10/72/581751072.db2.gz UNMQJWPHOJNBKN-GFCCVEGCSA-N 1 2 277.324 0.735 20 30 CCEDLO C#CCCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000758627102 581760023 /nfs/dbraw/zinc/76/00/23/581760023.db2.gz PZAIXOFCWNHIQU-ZDUSSCGKSA-N 1 2 251.374 0.542 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770666628 581760316 /nfs/dbraw/zinc/76/03/16/581760316.db2.gz RJRNYDRLPXQVSR-BFHYXJOUSA-N 1 2 290.319 0.200 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770666628 581760319 /nfs/dbraw/zinc/76/03/19/581760319.db2.gz RJRNYDRLPXQVSR-BFHYXJOUSA-N 1 2 290.319 0.200 20 30 CCEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccn(C)c(=O)c1 ZINC000742607270 581787148 /nfs/dbraw/zinc/78/71/48/581787148.db2.gz AOPHSCTUQSQDJP-UHFFFAOYSA-N 1 2 264.325 0.936 20 30 CCEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccn(C)c(=O)c1 ZINC000742607270 581787151 /nfs/dbraw/zinc/78/71/51/581787151.db2.gz AOPHSCTUQSQDJP-UHFFFAOYSA-N 1 2 264.325 0.936 20 30 CCEDLO C#CCN1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000771508358 581806396 /nfs/dbraw/zinc/80/63/96/581806396.db2.gz DYZASBDXJYBNDC-UHFFFAOYSA-N 1 2 295.346 0.658 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000744422225 581842080 /nfs/dbraw/zinc/84/20/80/581842080.db2.gz BVIXQUDPEKYHJP-AWEZNQCLSA-N 1 2 291.395 0.268 20 30 CCEDLO CN(C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C#N ZINC000745079444 581864060 /nfs/dbraw/zinc/86/40/60/581864060.db2.gz KYRZJVYXUNDBSD-LLVKDONJSA-N 1 2 281.356 0.774 20 30 CCEDLO CN(C(=O)COC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C#N ZINC000745079444 581864064 /nfs/dbraw/zinc/86/40/64/581864064.db2.gz KYRZJVYXUNDBSD-LLVKDONJSA-N 1 2 281.356 0.774 20 30 CCEDLO CCc1cc(NCCNC(=O)C2N=CC=CC2=O)nc[nH+]1 ZINC000733190731 581890331 /nfs/dbraw/zinc/89/03/31/581890331.db2.gz HZEDRJPCUKFKRQ-BUHFOSPRSA-N 1 2 287.323 0.977 20 30 CCEDLO CC(C)C1(O)C[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000773897392 581903556 /nfs/dbraw/zinc/90/35/56/581903556.db2.gz KWECILUEJWBNPB-LLVKDONJSA-N 1 2 265.357 0.640 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000761752176 581919591 /nfs/dbraw/zinc/91/95/91/581919591.db2.gz UHIPJNFBFWWORA-AWEZNQCLSA-N 1 2 285.307 0.926 20 30 CCEDLO C#C[C@@H](NC(=O)NCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000773564392 581934088 /nfs/dbraw/zinc/93/40/88/581934088.db2.gz ZBRILYIGXKXUMT-CHWSQXEVSA-N 1 2 288.351 0.974 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000747223287 581935425 /nfs/dbraw/zinc/93/54/25/581935425.db2.gz KTCYMSFCYXLKAH-CQSZACIVSA-N 1 2 296.374 0.818 20 30 CCEDLO CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1cccc(C#N)c1 ZINC000747864342 581955712 /nfs/dbraw/zinc/95/57/12/581955712.db2.gz SGNHZGSYKYWHGD-JTQLQIEISA-N 1 2 290.323 0.708 20 30 CCEDLO CC(C)(CNN=C1CC[N@@H+]2CCC[C@@H]12)S(C)(=O)=O ZINC000774486155 581975878 /nfs/dbraw/zinc/97/58/78/581975878.db2.gz WMFCOVXSOYEBLS-NSHDSACASA-N 1 2 273.402 0.623 20 30 CCEDLO CC(C)(CNN=C1CC[N@H+]2CCC[C@@H]12)S(C)(=O)=O ZINC000774486155 581975881 /nfs/dbraw/zinc/97/58/81/581975881.db2.gz WMFCOVXSOYEBLS-NSHDSACASA-N 1 2 273.402 0.623 20 30 CCEDLO CO[C@@H](C)C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000763123821 581986901 /nfs/dbraw/zinc/98/69/01/581986901.db2.gz AVUMJVKWWJWQPS-NSHDSACASA-N 1 2 288.417 0.194 20 30 CCEDLO C#CC[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000775400258 582023641 /nfs/dbraw/zinc/02/36/41/582023641.db2.gz NMHBOTQYEBLAHG-NSHDSACASA-N 1 2 268.324 0.890 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCCO1 ZINC000775800098 582040110 /nfs/dbraw/zinc/04/01/10/582040110.db2.gz QTLSDMNFBQQDOC-WDEREUQCSA-N 1 2 287.323 0.339 20 30 CCEDLO C#C[C@@H]([NH2+]CC(=O)Nc1cc(C)no1)[C@@H]1CCCO1 ZINC000775799554 582040239 /nfs/dbraw/zinc/04/02/39/582040239.db2.gz NRMCXVRCQBPQLG-MNOVXSKESA-N 1 2 263.297 0.692 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000776590609 582082163 /nfs/dbraw/zinc/08/21/63/582082163.db2.gz FDLOSFQVTOLDQF-GOSISDBHSA-N 1 2 271.430 0.922 20 30 CCEDLO C[S@@](=O)CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000776590609 582082165 /nfs/dbraw/zinc/08/21/65/582082165.db2.gz FDLOSFQVTOLDQF-GOSISDBHSA-N 1 2 271.430 0.922 20 30 CCEDLO Cc1cc[nH+]cc1CCC=NNCCS(C)(=O)=O ZINC000776729952 582087747 /nfs/dbraw/zinc/08/77/47/582087747.db2.gz PIJPRAOSZUBVMM-UHFFFAOYSA-N 1 2 269.370 0.943 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000776957968 582093799 /nfs/dbraw/zinc/09/37/99/582093799.db2.gz HDLONTQQCTVOMU-SNVBAGLBSA-N 1 2 256.265 0.699 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268577 612948018 /nfs/dbraw/zinc/94/80/18/612948018.db2.gz LJBRWIKGWXLIRT-ZJUUUORDSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268577 612948019 /nfs/dbraw/zinc/94/80/19/612948019.db2.gz LJBRWIKGWXLIRT-ZJUUUORDSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852323699 612950227 /nfs/dbraw/zinc/95/02/27/612950227.db2.gz LALAUNMMPAEHRP-FZMZJTMJSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852323699 612950228 /nfs/dbraw/zinc/95/02/28/612950228.db2.gz LALAUNMMPAEHRP-FZMZJTMJSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[C@@H](CCOC)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000858334847 613022745 /nfs/dbraw/zinc/02/27/45/613022745.db2.gz SHMFPKZSZXIJKZ-NSHDSACASA-N 1 2 265.361 0.946 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000858532600 613035021 /nfs/dbraw/zinc/03/50/21/613035021.db2.gz NAFVHQAWYDTHAU-LBPRGKRZSA-N 1 2 264.329 0.300 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000840297380 613059726 /nfs/dbraw/zinc/05/97/26/613059726.db2.gz JTAMKZUMSMQQSM-WDEREUQCSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000840297380 613059728 /nfs/dbraw/zinc/05/97/28/613059728.db2.gz JTAMKZUMSMQQSM-WDEREUQCSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000862575873 613072696 /nfs/dbraw/zinc/07/26/96/613072696.db2.gz ZJGRPPZRHVAXLF-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875594344 613084069 /nfs/dbraw/zinc/08/40/69/613084069.db2.gz OSKVTBBODVYULH-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCN(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925583452 613105583 /nfs/dbraw/zinc/10/55/83/613105583.db2.gz LHOIWOIHRQWFMK-ZDUSSCGKSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CC[N@@H+](CCC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000828062483 613107466 /nfs/dbraw/zinc/10/74/66/613107466.db2.gz JUBSYAQIWCXRKF-KBPBESRZSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000828062483 613107467 /nfs/dbraw/zinc/10/74/67/613107467.db2.gz JUBSYAQIWCXRKF-KBPBESRZSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000825660258 612963504 /nfs/dbraw/zinc/96/35/04/612963504.db2.gz IYXBUTUOFVIBLW-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703486 613879256 /nfs/dbraw/zinc/87/92/56/613879256.db2.gz VNHIWQFVQBOOFK-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703486 613879257 /nfs/dbraw/zinc/87/92/57/613879257.db2.gz VNHIWQFVQBOOFK-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCOCCC#N ZINC000933832436 614027199 /nfs/dbraw/zinc/02/71/99/614027199.db2.gz PPSFJQFIENHWCH-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCOCCC#N ZINC000933832436 614027201 /nfs/dbraw/zinc/02/72/01/614027201.db2.gz PPSFJQFIENHWCH-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C#CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC000925424461 612968402 /nfs/dbraw/zinc/96/84/02/612968402.db2.gz XRKIHFIPKMWYAR-ONEGZZNKSA-N 1 2 292.379 0.564 20 30 CCEDLO C#CCC1([NH2+]CC(=O)N=S(C)(C)=O)CCOCC1 ZINC000887120876 612970520 /nfs/dbraw/zinc/97/05/20/612970520.db2.gz QPNPPJXZLRJPDF-UHFFFAOYSA-N 1 2 272.370 0.403 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1 ZINC000880480339 612973126 /nfs/dbraw/zinc/97/31/26/612973126.db2.gz PDKFHNODHNTVSL-UHFFFAOYSA-N 1 2 292.301 0.857 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000851752145 612981814 /nfs/dbraw/zinc/98/18/14/612981814.db2.gz AUTZECJAACBSCA-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000851752145 612981815 /nfs/dbraw/zinc/98/18/15/612981815.db2.gz AUTZECJAACBSCA-UHFFFAOYSA-N 1 2 261.325 0.910 20 30 CCEDLO C#CCOCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000851798953 612982115 /nfs/dbraw/zinc/98/21/15/612982115.db2.gz VANJAJPROJMRRF-UHFFFAOYSA-N 1 2 265.357 0.184 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cn1cc2[nH]cccc-2c1=O ZINC000853620840 612989486 /nfs/dbraw/zinc/98/94/86/612989486.db2.gz GUYAVQTUHSNCSD-UHFFFAOYSA-N 1 2 273.336 0.967 20 30 CCEDLO C#CCC[N@H+](CCOC)Cn1cc2[nH]cccc-2c1=O ZINC000853620840 612989487 /nfs/dbraw/zinc/98/94/87/612989487.db2.gz GUYAVQTUHSNCSD-UHFFFAOYSA-N 1 2 273.336 0.967 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1Cc2cccnc2C1=O ZINC000853620828 612989497 /nfs/dbraw/zinc/98/94/97/612989497.db2.gz GGQLJOKKPKYEHS-UHFFFAOYSA-N 1 2 273.336 0.967 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1Cc2cccnc2C1=O ZINC000853620828 612989498 /nfs/dbraw/zinc/98/94/98/612989498.db2.gz GGQLJOKKPKYEHS-UHFFFAOYSA-N 1 2 273.336 0.967 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840285297 612989890 /nfs/dbraw/zinc/98/98/90/612989890.db2.gz DKXPXWJARSFCJE-STQMWFEESA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840285297 612989892 /nfs/dbraw/zinc/98/98/92/612989892.db2.gz DKXPXWJARSFCJE-STQMWFEESA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(OC)n2)C1 ZINC000950849161 612992621 /nfs/dbraw/zinc/99/26/21/612992621.db2.gz WSPWBDLESXUAKI-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899967936 613010248 /nfs/dbraw/zinc/01/02/48/613010248.db2.gz ATPCULQOMJHYNC-CYBMUJFWSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000875929595 613033099 /nfs/dbraw/zinc/03/30/99/613033099.db2.gz SJCUBXSOHXBLNT-KGLIPLIRSA-N 1 2 297.399 0.387 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)OC ZINC000837949079 613040573 /nfs/dbraw/zinc/04/05/73/613040573.db2.gz AMEJBFBSMGNQIE-GHMZBOCLSA-N 1 2 284.381 0.105 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000863782543 613052247 /nfs/dbraw/zinc/05/22/47/613052247.db2.gz VOYKIIPQEPLTDK-QWHCGFSZSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000972645088 613079636 /nfs/dbraw/zinc/07/96/36/613079636.db2.gz ONVWKTWWSSMJEQ-GFCCVEGCSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000972645088 613079637 /nfs/dbraw/zinc/07/96/37/613079637.db2.gz ONVWKTWWSSMJEQ-GFCCVEGCSA-N 1 2 298.408 0.120 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852277849 613083187 /nfs/dbraw/zinc/08/31/87/613083187.db2.gz QTPMOJMNQFOYOT-STQMWFEESA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875594344 613084068 /nfs/dbraw/zinc/08/40/68/613084068.db2.gz OSKVTBBODVYULH-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CC)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907714999 613084338 /nfs/dbraw/zinc/08/43/38/613084338.db2.gz MJJAQGOEFOGUDT-AWEZNQCLSA-N 1 2 289.379 0.962 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000854775462 613087054 /nfs/dbraw/zinc/08/70/54/613087054.db2.gz LOLABEPTCLXYQI-VIFPVBQESA-N 1 2 293.273 0.733 20 30 CCEDLO C#C[C@@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000854770082 613089921 /nfs/dbraw/zinc/08/99/21/613089921.db2.gz ACCGJGWUYGMDPC-AWEZNQCLSA-N 1 2 288.347 0.243 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812020423 613113491 /nfs/dbraw/zinc/11/34/91/613113491.db2.gz AZUIOAYZFYMUKF-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812020423 613113492 /nfs/dbraw/zinc/11/34/92/613113492.db2.gz AZUIOAYZFYMUKF-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)C1 ZINC000941304396 613115191 /nfs/dbraw/zinc/11/51/91/613115191.db2.gz MIKPEFSKEQAXHW-OAHLLOKOSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000941310896 613115575 /nfs/dbraw/zinc/11/55/75/613115575.db2.gz WCTUGXCBFIXXEY-UHFFFAOYSA-N 1 2 272.352 0.090 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000941318962 613115737 /nfs/dbraw/zinc/11/57/37/613115737.db2.gz CKDZGZAJRLJCSB-CYBMUJFWSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cocc3C)CC2)C1 ZINC000941521151 613116259 /nfs/dbraw/zinc/11/62/59/613116259.db2.gz YAMSXVRMUKUVEN-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc(C)c3)CC2)C1 ZINC000941356386 613116277 /nfs/dbraw/zinc/11/62/77/613116277.db2.gz BOOYBSSFXIUNSJ-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000970338153 613117436 /nfs/dbraw/zinc/11/74/36/613117436.db2.gz JCPWMCPLZNJCSZ-PWSUYJOCSA-N 1 2 287.367 0.294 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000854072305 613120204 /nfs/dbraw/zinc/12/02/04/613120204.db2.gz BVBSLPGYLGFHDB-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CCN1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326070 613123504 /nfs/dbraw/zinc/12/35/04/613123504.db2.gz MZVQIQXHACIFCU-ZFWWWQNUSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CCN1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326070 613123506 /nfs/dbraw/zinc/12/35/06/613123506.db2.gz MZVQIQXHACIFCU-ZFWWWQNUSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2ncccc2O)C1 ZINC000969546699 613127921 /nfs/dbraw/zinc/12/79/21/613127921.db2.gz PTBYJLPWXPDFJU-JTQLQIEISA-N 1 2 259.309 0.471 20 30 CCEDLO C#C[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853659496 613131156 /nfs/dbraw/zinc/13/11/56/613131156.db2.gz IWPNHPFUJFFSMQ-SECBINFHSA-N 1 2 259.313 0.987 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000878705510 613162585 /nfs/dbraw/zinc/16/25/85/613162585.db2.gz YVBLHYZPXGEJBH-AWEZNQCLSA-N 1 2 258.321 0.662 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000878705510 613162587 /nfs/dbraw/zinc/16/25/87/613162587.db2.gz YVBLHYZPXGEJBH-AWEZNQCLSA-N 1 2 258.321 0.662 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCO)C2)nc1 ZINC000957294582 613166981 /nfs/dbraw/zinc/16/69/81/613166981.db2.gz FHNQBLMJSFQBNO-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([S@](C)=O)CC2)C1 ZINC000884322805 613168414 /nfs/dbraw/zinc/16/84/14/613168414.db2.gz VYJNAVVVJGGUJU-ODXCJYRJSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([S@](C)=O)CC2)C1 ZINC000884322805 613168416 /nfs/dbraw/zinc/16/84/16/613168416.db2.gz VYJNAVVVJGGUJU-ODXCJYRJSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000890365556 613170913 /nfs/dbraw/zinc/17/09/13/613170913.db2.gz VZBFFZVBORJPDE-CMPLNLGQSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000890365556 613170914 /nfs/dbraw/zinc/17/09/14/613170914.db2.gz VZBFFZVBORJPDE-CMPLNLGQSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000923559945 613173361 /nfs/dbraw/zinc/17/33/61/613173361.db2.gz WDEHAVVOWFEQCF-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000923559945 613173363 /nfs/dbraw/zinc/17/33/63/613173363.db2.gz WDEHAVVOWFEQCF-NEPJUHHUSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CC2CC2)C1 ZINC000885511415 613175981 /nfs/dbraw/zinc/17/59/81/613175981.db2.gz HSPFLAGGFUOQIZ-CQSZACIVSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CC2CC2)C1 ZINC000885511415 613175983 /nfs/dbraw/zinc/17/59/83/613175983.db2.gz HSPFLAGGFUOQIZ-CQSZACIVSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(C)n2)C1 ZINC000896491090 613186250 /nfs/dbraw/zinc/18/62/50/613186250.db2.gz YYFOWBRKNZHVKR-NSHDSACASA-N 1 2 276.344 0.010 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(C)n2)C1 ZINC000896491090 613186251 /nfs/dbraw/zinc/18/62/51/613186251.db2.gz YYFOWBRKNZHVKR-NSHDSACASA-N 1 2 276.344 0.010 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)cc1 ZINC000967678890 613186539 /nfs/dbraw/zinc/18/65/39/613186539.db2.gz QBPUGFTUQQMGQE-IUODEOHRSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@H]2C)cc1 ZINC000967678890 613186542 /nfs/dbraw/zinc/18/65/42/613186542.db2.gz QBPUGFTUQQMGQE-IUODEOHRSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC2CC2)C1 ZINC000885511950 613192779 /nfs/dbraw/zinc/19/27/79/613192779.db2.gz PRWWPOBPPGBKDO-ZDUSSCGKSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC2CC2)C1 ZINC000885511950 613192780 /nfs/dbraw/zinc/19/27/80/613192780.db2.gz PRWWPOBPPGBKDO-ZDUSSCGKSA-N 1 2 270.398 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCC)C1 ZINC000885512728 613192802 /nfs/dbraw/zinc/19/28/02/613192802.db2.gz YIAOMOSQZOKPDW-LBPRGKRZSA-N 1 2 258.387 0.804 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCC)C1 ZINC000885512728 613192805 /nfs/dbraw/zinc/19/28/05/613192805.db2.gz YIAOMOSQZOKPDW-LBPRGKRZSA-N 1 2 258.387 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)CCOC)C1 ZINC000885511565 613193038 /nfs/dbraw/zinc/19/30/38/613193038.db2.gz JTCAICSGGXLPAN-STQMWFEESA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)CCOC)C1 ZINC000885511565 613193039 /nfs/dbraw/zinc/19/30/39/613193039.db2.gz JTCAICSGGXLPAN-STQMWFEESA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccn(CC)c1=O ZINC000840497648 613203434 /nfs/dbraw/zinc/20/34/34/613203434.db2.gz AJODCKNNNBJFIT-ZDUSSCGKSA-N 1 2 273.336 0.904 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccn(CC)c1=O ZINC000840497648 613203435 /nfs/dbraw/zinc/20/34/35/613203435.db2.gz AJODCKNNNBJFIT-ZDUSSCGKSA-N 1 2 273.336 0.904 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)c1 ZINC000957990549 613203689 /nfs/dbraw/zinc/20/36/89/613203689.db2.gz HPRNXQNIRXTJNP-QLPKVWCKSA-N 1 2 297.358 0.673 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(C)=O)c1 ZINC000957990549 613203691 /nfs/dbraw/zinc/20/36/91/613203691.db2.gz HPRNXQNIRXTJNP-QLPKVWCKSA-N 1 2 297.358 0.673 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000852418514 613205713 /nfs/dbraw/zinc/20/57/13/613205713.db2.gz XBAMBMCXHMAWTH-LBPRGKRZSA-N 1 2 292.408 0.571 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC[C@@H](C(C)C)C2=O)CC1 ZINC000853489622 613209426 /nfs/dbraw/zinc/20/94/26/613209426.db2.gz FXAMCHNEYUTNAR-AWEZNQCLSA-N 1 2 263.385 0.699 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(F)F)CC2)C1 ZINC000949276965 613209646 /nfs/dbraw/zinc/20/96/46/613209646.db2.gz PUEZABPUHJOYSI-UHFFFAOYSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(F)F)CC2)C1 ZINC000949276965 613209648 /nfs/dbraw/zinc/20/96/48/613209648.db2.gz PUEZABPUHJOYSI-UHFFFAOYSA-N 1 2 286.322 0.968 20 30 CCEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC000881787099 613209817 /nfs/dbraw/zinc/20/98/17/613209817.db2.gz XHPFASJMNOUDOG-UHFFFAOYSA-N 1 2 285.307 0.804 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)OC)CC2)C1 ZINC000949320117 613210346 /nfs/dbraw/zinc/21/03/46/613210346.db2.gz FWFIFIKTBOTKIZ-CQSZACIVSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)OC)CC2)C1 ZINC000949320117 613210348 /nfs/dbraw/zinc/21/03/48/613210348.db2.gz FWFIFIKTBOTKIZ-CQSZACIVSA-N 1 2 294.395 0.738 20 30 CCEDLO C/C(=C/C(=O)N(CCC#N)CCC#N)C[NH+]1CCOCC1 ZINC000900328877 613228511 /nfs/dbraw/zinc/22/85/11/613228511.db2.gz JOMJZFMEHHIMES-OWBHPGMISA-N 1 2 290.367 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656161 613247191 /nfs/dbraw/zinc/24/71/91/613247191.db2.gz XSAJONOENQWMAP-JSGCOSHPSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000968656161 613247192 /nfs/dbraw/zinc/24/71/92/613247192.db2.gz XSAJONOENQWMAP-JSGCOSHPSA-N 1 2 274.368 0.651 20 30 CCEDLO C=C(C)CC[NH+]1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000950583885 613257760 /nfs/dbraw/zinc/25/77/60/613257760.db2.gz FVOGMYXOFUSVLP-UHFFFAOYSA-N 1 2 277.372 0.848 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000951754301 613295414 /nfs/dbraw/zinc/29/54/14/613295414.db2.gz VWEZFBLTNBLABT-NEPJUHHUSA-N 1 2 265.357 0.217 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC000949619920 613321504 /nfs/dbraw/zinc/32/15/04/613321504.db2.gz CZMNWLZHAUFVGW-UHFFFAOYSA-N 1 2 278.356 0.763 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000929419705 613323665 /nfs/dbraw/zinc/32/36/65/613323665.db2.gz KMUGSDGFLQEPJT-UHFFFAOYSA-N 1 2 275.356 0.259 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501451 613325581 /nfs/dbraw/zinc/32/55/81/613325581.db2.gz NACWASJJLOIGFE-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501451 613325582 /nfs/dbraw/zinc/32/55/82/613325582.db2.gz NACWASJJLOIGFE-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859892963 613329246 /nfs/dbraw/zinc/32/92/46/613329246.db2.gz NXJFGVCMWNXXRO-LLVKDONJSA-N 1 2 260.297 0.069 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859892963 613329247 /nfs/dbraw/zinc/32/92/47/613329247.db2.gz NXJFGVCMWNXXRO-LLVKDONJSA-N 1 2 260.297 0.069 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000856724858 613329704 /nfs/dbraw/zinc/32/97/04/613329704.db2.gz XESVIYNAQIFMGA-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934324758 613330110 /nfs/dbraw/zinc/33/01/10/613330110.db2.gz IMMDLLVBXJCQEP-CQSZACIVSA-N 1 2 271.364 0.947 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934324758 613330111 /nfs/dbraw/zinc/33/01/11/613330111.db2.gz IMMDLLVBXJCQEP-CQSZACIVSA-N 1 2 271.364 0.947 20 30 CCEDLO C=C(C)CONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911901257 613352362 /nfs/dbraw/zinc/35/23/62/613352362.db2.gz FHSIHUKGJXKPPY-XYOKQWHBSA-N 1 2 254.330 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000882892661 613358119 /nfs/dbraw/zinc/35/81/19/613358119.db2.gz BSJJBXXRCMLERI-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(CC[NH+](C)C)C(=O)NCCc1n[nH]c(=S)o1 ZINC000907460343 613364891 /nfs/dbraw/zinc/36/48/91/613364891.db2.gz ADEBMGMANWMBAT-UHFFFAOYSA-N 1 2 270.358 0.525 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409467 613372204 /nfs/dbraw/zinc/37/22/04/613372204.db2.gz IDQLREPIDBMZPT-GXSJLCMTSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675967 613379682 /nfs/dbraw/zinc/37/96/82/613379682.db2.gz SFUOYINYNWTXFO-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675967 613379683 /nfs/dbraw/zinc/37/96/83/613379683.db2.gz SFUOYINYNWTXFO-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943675967 613379684 /nfs/dbraw/zinc/37/96/84/613379684.db2.gz SFUOYINYNWTXFO-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943675967 613379685 /nfs/dbraw/zinc/37/96/85/613379685.db2.gz SFUOYINYNWTXFO-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978875723 613382160 /nfs/dbraw/zinc/38/21/60/613382160.db2.gz DNXUZWAMEGKRLI-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978875723 613382161 /nfs/dbraw/zinc/38/21/61/613382161.db2.gz DNXUZWAMEGKRLI-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978875723 613382162 /nfs/dbraw/zinc/38/21/62/613382162.db2.gz DNXUZWAMEGKRLI-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978875723 613382163 /nfs/dbraw/zinc/38/21/63/613382163.db2.gz DNXUZWAMEGKRLI-OWUUHHOZSA-N 1 2 281.747 0.465 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000870056093 613393703 /nfs/dbraw/zinc/39/37/03/613393703.db2.gz LWPQAVRRZLBJSV-AWEZNQCLSA-N 1 2 294.395 0.902 20 30 CCEDLO COc1cnc(F)c(C[NH2+][C@H]2CCCN(O)C2=O)c1 ZINC000895157788 617332626 /nfs/dbraw/zinc/33/26/26/617332626.db2.gz SYZUXUHISIVTPA-JTQLQIEISA-N 1 2 269.276 0.699 20 30 CCEDLO C=CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)C(=O)OC ZINC000905778519 613419262 /nfs/dbraw/zinc/41/92/62/613419262.db2.gz RIKUJLLAYVQOKR-NSHDSACASA-N 1 2 290.385 0.119 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000845623057 613444172 /nfs/dbraw/zinc/44/41/72/613444172.db2.gz OWVMJINOKMDECD-NWDGAFQWSA-N 1 2 271.361 0.855 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000878810054 613446146 /nfs/dbraw/zinc/44/61/46/613446146.db2.gz RSGJEYOWRWXTIO-LBPRGKRZSA-N 1 2 253.390 0.951 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000878810054 613446148 /nfs/dbraw/zinc/44/61/48/613446148.db2.gz RSGJEYOWRWXTIO-LBPRGKRZSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N=[S@@](C)(=O)N(C)C ZINC000878680024 613461362 /nfs/dbraw/zinc/46/13/62/613461362.db2.gz HCHPYIYAJFOWNF-RMDKCXRXSA-N 1 2 289.401 0.411 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896538957 613467118 /nfs/dbraw/zinc/46/71/18/613467118.db2.gz IJSZJIVMRJYXSH-MQYQWHSLSA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896538957 613467119 /nfs/dbraw/zinc/46/71/19/613467119.db2.gz IJSZJIVMRJYXSH-MQYQWHSLSA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@H](C)ONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911903906 613483798 /nfs/dbraw/zinc/48/37/98/613483798.db2.gz ZPCAEHQLNKHFHC-MMRAYRKESA-N 1 2 254.330 0.887 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000932526989 613489878 /nfs/dbraw/zinc/48/98/78/613489878.db2.gz NSUYCWSKAOQEBE-OLZOCXBDSA-N 1 2 253.390 0.951 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000932526989 613489882 /nfs/dbraw/zinc/48/98/82/613489882.db2.gz NSUYCWSKAOQEBE-OLZOCXBDSA-N 1 2 253.390 0.951 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000941356447 613529136 /nfs/dbraw/zinc/52/91/36/613529136.db2.gz SSRJYGBHDYNLRW-UHFFFAOYSA-N 1 2 287.407 0.804 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC000941519976 613529968 /nfs/dbraw/zinc/52/99/68/613529968.db2.gz GYGRBSHVIUOOFO-CQSZACIVSA-N 1 2 281.375 0.586 20 30 CCEDLO C=CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923222841 613569339 /nfs/dbraw/zinc/56/93/39/613569339.db2.gz PRLLDQXOOMGAIV-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972368230 613570968 /nfs/dbraw/zinc/57/09/68/613570968.db2.gz RKZCZDFKLQPFJU-GXTWGEPZSA-N 1 2 298.333 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972368230 613570971 /nfs/dbraw/zinc/57/09/71/613570971.db2.gz RKZCZDFKLQPFJU-GXTWGEPZSA-N 1 2 298.333 0.968 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909375873 613583055 /nfs/dbraw/zinc/58/30/55/613583055.db2.gz NDBMQVDURDITFQ-UELRPHRMSA-N 1 2 282.384 0.708 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(OC)OC)nn1 ZINC000922314410 613599199 /nfs/dbraw/zinc/59/91/99/613599199.db2.gz YBFCXGDXBUANLN-SNVBAGLBSA-N 1 2 254.334 0.951 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925598320 613650091 /nfs/dbraw/zinc/65/00/91/613650091.db2.gz VMANFCOIFSABDF-CQSZACIVSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000949858081 613654378 /nfs/dbraw/zinc/65/43/78/613654378.db2.gz PRWSZQONTJYUNZ-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2ccncn2)CC1 ZINC000948577948 613707357 /nfs/dbraw/zinc/70/73/57/613707357.db2.gz YHKHJDZWQVVPFS-UHFFFAOYSA-N 1 2 260.341 0.739 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC000949069392 613708303 /nfs/dbraw/zinc/70/83/03/613708303.db2.gz CJBTVSLOSMIXDH-UHFFFAOYSA-N 1 2 265.357 0.329 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000948624764 613710796 /nfs/dbraw/zinc/71/07/96/613710796.db2.gz RDOAURHYZFLPAC-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cncnc2)CC1 ZINC000949836802 613712334 /nfs/dbraw/zinc/71/23/34/613712334.db2.gz FGRPSJRELOFWOG-GFCCVEGCSA-N 1 2 260.341 0.910 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000949025349 613712788 /nfs/dbraw/zinc/71/27/88/613712788.db2.gz FHFKHGBFLGTNRU-VXGBXAGGSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000949498395 613714535 /nfs/dbraw/zinc/71/45/35/613714535.db2.gz JTQCSIOGUPJRRN-GFCCVEGCSA-N 1 2 290.367 0.857 20 30 CCEDLO C=CCN1CCN(C[NH+]2CCC(NC(=O)OC)CC2)C1=O ZINC000853627110 613719395 /nfs/dbraw/zinc/71/93/95/613719395.db2.gz OPOXONNTROUKDC-UHFFFAOYSA-N 1 2 296.371 0.688 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972308236 613723717 /nfs/dbraw/zinc/72/37/17/613723717.db2.gz JLNQKDKZYAJEEM-ZBFHGGJFSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972308236 613723718 /nfs/dbraw/zinc/72/37/18/613723718.db2.gz JLNQKDKZYAJEEM-ZBFHGGJFSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000972675557 613727602 /nfs/dbraw/zinc/72/76/02/613727602.db2.gz ZCPYKMOUTHKVGG-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000972675557 613727606 /nfs/dbraw/zinc/72/76/06/613727606.db2.gz ZCPYKMOUTHKVGG-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCS[C@H]1C ZINC000884380410 613878793 /nfs/dbraw/zinc/87/87/93/613878793.db2.gz CHUBHIJOZDJZDF-GUBZILKMSA-N 1 2 272.370 0.443 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1nccs1 ZINC000884089008 613877397 /nfs/dbraw/zinc/87/73/97/613877397.db2.gz BWYIACRAEMGTKJ-QMMMGPOBSA-N 1 2 269.326 0.553 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCCOC1 ZINC000884128641 613877500 /nfs/dbraw/zinc/87/75/00/613877500.db2.gz JSBHCXYQPQPPJE-NEPJUHHUSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CSC ZINC000884378640 613877659 /nfs/dbraw/zinc/87/76/59/613877659.db2.gz YWNGZBWJPMVBJM-MNOVXSKESA-N 1 2 286.397 0.787 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@H](C)[C@H]1C ZINC000884143963 613877765 /nfs/dbraw/zinc/87/77/65/613877765.db2.gz WIWNJALKWKQFHX-MXWKQRLJSA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000884413019 613877863 /nfs/dbraw/zinc/87/78/63/613877863.db2.gz HKDZQAJBULVERE-SWLSCSKDSA-N 1 2 296.367 0.462 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000884156384 613877941 /nfs/dbraw/zinc/87/79/41/613877941.db2.gz ZXIGKYLBZKKYQT-AXFHLTTASA-N 1 2 266.341 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccccc1F ZINC000884056711 613878168 /nfs/dbraw/zinc/87/81/68/613878168.db2.gz HZGHCRXQFSUCPY-ZDUSSCGKSA-N 1 2 294.326 0.931 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC(C)C1 ZINC000884425531 613878255 /nfs/dbraw/zinc/87/82/55/613878255.db2.gz KXXHPACCYQFNPU-ILDUYXDCSA-N 1 2 254.330 0.595 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853604385 613880181 /nfs/dbraw/zinc/88/01/81/613880181.db2.gz CXYXFPLVZYMJGS-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853604385 613880182 /nfs/dbraw/zinc/88/01/82/613880182.db2.gz CXYXFPLVZYMJGS-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875474364 613880921 /nfs/dbraw/zinc/88/09/21/613880921.db2.gz UVDXAYKRRMAUEO-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875474364 613880922 /nfs/dbraw/zinc/88/09/22/613880922.db2.gz UVDXAYKRRMAUEO-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCONC(=O)N1CC[NH+](CCOCC)CC1 ZINC000838707505 613883427 /nfs/dbraw/zinc/88/34/27/613883427.db2.gz GDHCYYLQDRMDKC-UHFFFAOYSA-N 1 2 257.334 0.468 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875649159 613884028 /nfs/dbraw/zinc/88/40/28/613884028.db2.gz CUXNTJZMCGHWGP-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875649159 613884029 /nfs/dbraw/zinc/88/40/29/613884029.db2.gz CUXNTJZMCGHWGP-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nn(CC)nc1C ZINC000926126366 613886023 /nfs/dbraw/zinc/88/60/23/613886023.db2.gz JHKNGIPTLARQMO-SNVBAGLBSA-N 1 2 286.401 0.858 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CO ZINC000934028252 614180986 /nfs/dbraw/zinc/18/09/86/614180986.db2.gz ARNHOPKTAPZFFZ-NTZNESFSSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]1CO ZINC000934028252 614180987 /nfs/dbraw/zinc/18/09/87/614180987.db2.gz ARNHOPKTAPZFFZ-NTZNESFSSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)(C#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069445 614284375 /nfs/dbraw/zinc/28/43/75/614284375.db2.gz HLQGPYWMNZSCGB-LBPRGKRZSA-N 1 2 281.356 0.096 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CO ZINC000934028250 614286254 /nfs/dbraw/zinc/28/62/54/614286254.db2.gz ARNHOPKTAPZFFZ-MDZLAQPJSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]1CO ZINC000934028250 614286256 /nfs/dbraw/zinc/28/62/56/614286256.db2.gz ARNHOPKTAPZFFZ-MDZLAQPJSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)C#CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643583 614328033 /nfs/dbraw/zinc/32/80/33/614328033.db2.gz WILAJBFIIDNXBV-INIZCTEOSA-N 1 2 294.395 0.378 20 30 CCEDLO CC(C)C#CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643583 614328035 /nfs/dbraw/zinc/32/80/35/614328035.db2.gz WILAJBFIIDNXBV-INIZCTEOSA-N 1 2 294.395 0.378 20 30 CCEDLO CCC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N)cc1 ZINC000863093033 614444485 /nfs/dbraw/zinc/44/44/85/614444485.db2.gz USEGQMZNUUIOLU-UHFFFAOYSA-N 1 2 279.369 0.332 20 30 CCEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977668739 614606253 /nfs/dbraw/zinc/60/62/53/614606253.db2.gz QDHKOBGKGYOUEJ-NSHDSACASA-N 1 2 261.329 0.233 20 30 CCEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000977385384 614609155 /nfs/dbraw/zinc/60/91/55/614609155.db2.gz CYFAHVJOGXOSJV-SNVBAGLBSA-N 1 2 261.329 0.302 20 30 CCEDLO CCOCCN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801918601 615255293 /nfs/dbraw/zinc/25/52/93/615255293.db2.gz SHCHYLLOHTWLCP-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO CCN1C[C@H](C[NH+]2CCC(C#N)(C(=O)OC)CC2)OC1=O ZINC000846954603 615402212 /nfs/dbraw/zinc/40/22/12/615402212.db2.gz BCIDQYWXPZZYDP-NSHDSACASA-N 1 2 295.339 0.606 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H](C)C#N ZINC000925588171 615477468 /nfs/dbraw/zinc/47/74/68/615477468.db2.gz OMDCCWFNWNHFFF-STQMWFEESA-N 1 2 282.388 0.898 20 30 CCEDLO CCOc1cccc(C[NH2+][C@@H]2CCCN(O)C2=O)n1 ZINC000895162366 615516812 /nfs/dbraw/zinc/51/68/12/615516812.db2.gz LBYDICGOVALYQH-LLVKDONJSA-N 1 2 265.313 0.950 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000912737550 615660250 /nfs/dbraw/zinc/66/02/50/615660250.db2.gz OYBNCNPEPKDFAS-MRXNPFEDSA-N 1 2 286.375 0.735 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000912737550 615660251 /nfs/dbraw/zinc/66/02/51/615660251.db2.gz OYBNCNPEPKDFAS-MRXNPFEDSA-N 1 2 286.375 0.735 20 30 CCEDLO CN(C(=O)CO[NH+]=C(N)CCO)C1CCCCC1 ZINC000136072954 615816857 /nfs/dbraw/zinc/81/68/57/615816857.db2.gz XFUUYCUIVXEYBW-UHFFFAOYSA-N 1 2 257.334 0.449 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886016802 615876545 /nfs/dbraw/zinc/87/65/45/615876545.db2.gz LYPSGDNQVQFANN-NEPJUHHUSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886016802 615876552 /nfs/dbraw/zinc/87/65/52/615876552.db2.gz LYPSGDNQVQFANN-NEPJUHHUSA-N 1 2 265.357 0.642 20 30 CCEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NC1CC1)[C@@H]1CCSC1 ZINC000123635186 616050835 /nfs/dbraw/zinc/05/08/35/616050835.db2.gz JGWYWYCLIUGZCR-MNOVXSKESA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NC1CC1)[C@@H]1CCSC1 ZINC000123635186 616050836 /nfs/dbraw/zinc/05/08/36/616050836.db2.gz JGWYWYCLIUGZCR-MNOVXSKESA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1CO ZINC000913542363 616228122 /nfs/dbraw/zinc/22/81/22/616228122.db2.gz INAQPWAZPNSJEA-DOMZBBRYSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1CO ZINC000913542363 616228123 /nfs/dbraw/zinc/22/81/23/616228123.db2.gz INAQPWAZPNSJEA-DOMZBBRYSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](CO)C1 ZINC000912737392 616229807 /nfs/dbraw/zinc/22/98/07/616229807.db2.gz KVEOIHRWEDUFAA-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](CO)C1 ZINC000912737392 616229808 /nfs/dbraw/zinc/22/98/08/616229808.db2.gz KVEOIHRWEDUFAA-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1CO ZINC000913544368 616229936 /nfs/dbraw/zinc/22/99/36/616229936.db2.gz CWOSKUANOYZPSV-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1CO ZINC000913544368 616229937 /nfs/dbraw/zinc/22/99/37/616229937.db2.gz CWOSKUANOYZPSV-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(F)c2C#N)C[C@H]1CO ZINC000913544608 616230651 /nfs/dbraw/zinc/23/06/51/616230651.db2.gz IXIZYGCKPMCBPA-JTQLQIEISA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(F)c2C#N)C[C@H]1CO ZINC000913544608 616230652 /nfs/dbraw/zinc/23/06/52/616230652.db2.gz IXIZYGCKPMCBPA-JTQLQIEISA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C1 ZINC000907087165 616246562 /nfs/dbraw/zinc/24/65/62/616246562.db2.gz XAKPVELXQZZTSM-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C1 ZINC000907087165 616246563 /nfs/dbraw/zinc/24/65/63/616246563.db2.gz XAKPVELXQZZTSM-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1CO ZINC000894760610 616249055 /nfs/dbraw/zinc/24/90/55/616249055.db2.gz KYUFIPSJOTXKEE-ZDUSSCGKSA-N 1 2 261.325 0.793 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1CO ZINC000894760610 616249056 /nfs/dbraw/zinc/24/90/56/616249056.db2.gz KYUFIPSJOTXKEE-ZDUSSCGKSA-N 1 2 261.325 0.793 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000871343917 616545376 /nfs/dbraw/zinc/54/53/76/616545376.db2.gz KPKUXJIQAHBRGR-LLVKDONJSA-N 1 2 290.323 0.361 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)[C@H](C)CC#N ZINC000851102589 616653098 /nfs/dbraw/zinc/65/30/98/616653098.db2.gz VGQCAKDQZMVVBD-UPJWGTAASA-N 1 2 284.356 0.815 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)[C@H](C)CC#N ZINC000851102589 616653100 /nfs/dbraw/zinc/65/31/00/616653100.db2.gz VGQCAKDQZMVVBD-UPJWGTAASA-N 1 2 284.356 0.815 20 30 CCEDLO COC(=O)Cn1cccc1C=NNCCCn1cc[nH+]c1 ZINC000848417869 616740908 /nfs/dbraw/zinc/74/09/08/616740908.db2.gz GKALJZBCISCRQT-UHFFFAOYSA-N 1 2 289.339 0.871 20 30 CCEDLO COCC[N@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801935670 617023649 /nfs/dbraw/zinc/02/36/49/617023649.db2.gz CAKIVMMJEPQRMJ-VXGBXAGGSA-N 1 2 290.385 0.051 20 30 CCEDLO COCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801935670 617023653 /nfs/dbraw/zinc/02/36/53/617023653.db2.gz CAKIVMMJEPQRMJ-VXGBXAGGSA-N 1 2 290.385 0.051 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC#N)n2)[N@H+](C)C1 ZINC000922152962 617119122 /nfs/dbraw/zinc/11/91/22/617119122.db2.gz KOFWQMIVVYSRLB-RYUDHWBXSA-N 1 2 274.324 0.805 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC#N)n2)[N@@H+](C)C1 ZINC000922152962 617119123 /nfs/dbraw/zinc/11/91/23/617119123.db2.gz KOFWQMIVVYSRLB-RYUDHWBXSA-N 1 2 274.324 0.805 20 30 CCEDLO Cc1nsc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)c1C#N ZINC000930516368 625343788 /nfs/dbraw/zinc/34/37/88/625343788.db2.gz BYCOCYJPRXSIDJ-JQWIXIFHSA-N 1 2 296.396 0.187 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001026324958 625398528 /nfs/dbraw/zinc/39/85/28/625398528.db2.gz RYZZTHWPKYQGDW-MELADBBJSA-N 1 2 287.367 0.623 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972531547 622960898 /nfs/dbraw/zinc/96/08/98/622960898.db2.gz LIEAPWZRQNLHJF-ZBFHGGJFSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972531547 622960902 /nfs/dbraw/zinc/96/09/02/622960902.db2.gz LIEAPWZRQNLHJF-ZBFHGGJFSA-N 1 2 294.395 0.594 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705887 623852666 /nfs/dbraw/zinc/85/26/66/623852666.db2.gz OOESTDLTYZAWDU-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCC(N)=O)cc1OC ZINC000049441904 624460841 /nfs/dbraw/zinc/46/08/41/624460841.db2.gz JZNFLYZICLCRQR-UHFFFAOYSA-N 1 2 267.285 0.020 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001020917543 624624004 /nfs/dbraw/zinc/62/40/04/624624004.db2.gz HYADPTUCCFDUPB-HAQNSBGRSA-N 1 2 296.334 0.641 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701277 624812674 /nfs/dbraw/zinc/81/26/74/624812674.db2.gz WYSIDBLUCCCJIL-STQMWFEESA-N 1 2 287.367 0.789 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000160635719 624814621 /nfs/dbraw/zinc/81/46/21/624814621.db2.gz FYMWIEHWKAFYGH-UHFFFAOYSA-N 1 2 267.329 0.197 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000160635719 624814622 /nfs/dbraw/zinc/81/46/22/624814622.db2.gz FYMWIEHWKAFYGH-UHFFFAOYSA-N 1 2 267.329 0.197 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000306268219 624826654 /nfs/dbraw/zinc/82/66/54/624826654.db2.gz JFMWNTPGQLAYLK-VIFPVBQESA-N 1 2 250.136 0.714 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000306268219 624826655 /nfs/dbraw/zinc/82/66/55/624826655.db2.gz JFMWNTPGQLAYLK-VIFPVBQESA-N 1 2 250.136 0.714 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H](N(C)CC#N)C1 ZINC000971781682 624907163 /nfs/dbraw/zinc/90/71/63/624907163.db2.gz LZWHCXBDJDXJBC-CYBMUJFWSA-N 1 2 288.351 0.689 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cc3c(cn2)OCCO3)CCCN1O ZINC000895156577 631988730 /nfs/dbraw/zinc/98/87/30/631988730.db2.gz DFHKRJMGELSKAU-SNVBAGLBSA-N 1 2 279.296 0.323 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985546905 632544336 /nfs/dbraw/zinc/54/43/36/632544336.db2.gz AIYGGGXKBJJVOD-UHFFFAOYSA-N 1 2 289.383 0.799 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007623469 650086764 /nfs/dbraw/zinc/08/67/64/650086764.db2.gz JDKBIAXGFCUULC-QLFBSQMISA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007623469 650086765 /nfs/dbraw/zinc/08/67/65/650086765.db2.gz JDKBIAXGFCUULC-QLFBSQMISA-N 1 2 293.411 0.309 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988752296 633103254 /nfs/dbraw/zinc/10/32/54/633103254.db2.gz SBVVEXNYLWIIIF-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437301 650114627 /nfs/dbraw/zinc/11/46/27/650114627.db2.gz KZFISKVBEYCZQR-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001008437301 650114628 /nfs/dbraw/zinc/11/46/28/650114628.db2.gz KZFISKVBEYCZQR-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1ccc(C#N)cc1 ZINC000898883204 633679587 /nfs/dbraw/zinc/67/95/87/633679587.db2.gz FXXNLEVVSMCYMG-ZDUSSCGKSA-N 1 2 284.319 0.684 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(CC#N)cc1 ZINC000898888527 633683599 /nfs/dbraw/zinc/68/35/99/633683599.db2.gz JGKQWTNFHRYRIA-ZDUSSCGKSA-N 1 2 284.319 0.950 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1CC#N ZINC000947847745 634205950 /nfs/dbraw/zinc/20/59/50/634205950.db2.gz AILWZAJHRJSNBR-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009242938 650141125 /nfs/dbraw/zinc/14/11/25/650141125.db2.gz GJJQSDCTBDFLII-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009242938 650141128 /nfs/dbraw/zinc/14/11/28/650141128.db2.gz GJJQSDCTBDFLII-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456815 650230821 /nfs/dbraw/zinc/23/08/21/650230821.db2.gz IVQJFLAZKDXYCJ-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456815 650230823 /nfs/dbraw/zinc/23/08/23/650230823.db2.gz IVQJFLAZKDXYCJ-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676563 650252592 /nfs/dbraw/zinc/25/25/92/650252592.db2.gz PSZZKHRQHJIJID-GHMZBOCLSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676563 650252595 /nfs/dbraw/zinc/25/25/95/650252595.db2.gz PSZZKHRQHJIJID-GHMZBOCLSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707971 650256062 /nfs/dbraw/zinc/25/60/62/650256062.db2.gz MVTNWWOALNMQQW-SECBINFHSA-N 1 2 283.763 0.559 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707971 650256065 /nfs/dbraw/zinc/25/60/65/650256065.db2.gz MVTNWWOALNMQQW-SECBINFHSA-N 1 2 283.763 0.559 20 30 CCEDLO CN(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C1CC1 ZINC000158178291 637012509 /nfs/dbraw/zinc/01/25/09/637012509.db2.gz BNATXQKZTQOHPY-UHFFFAOYSA-N 1 2 289.335 0.879 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001015001360 637290809 /nfs/dbraw/zinc/29/08/09/637290809.db2.gz WDNPFPYBAHRJQJ-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@@H](CNC(=O)N1CCC[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000914067013 637500498 /nfs/dbraw/zinc/50/04/98/637500498.db2.gz JLHXIRIMVFBGEF-STQMWFEESA-N 1 2 280.372 0.652 20 30 CCEDLO S=C(NC[C@@H]1CCCO1)NN=C1C[NH+]2CCC1CC2 ZINC000915047794 637723413 /nfs/dbraw/zinc/72/34/13/637723413.db2.gz BFFIVNGRTLTONW-NSHDSACASA-N 1 2 282.413 0.711 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993677144 637830693 /nfs/dbraw/zinc/83/06/93/637830693.db2.gz YAOHOXUHDMUJPM-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993677144 637830698 /nfs/dbraw/zinc/83/06/98/637830698.db2.gz YAOHOXUHDMUJPM-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H](C)[N@H+]1C ZINC000915905072 637879632 /nfs/dbraw/zinc/87/96/32/637879632.db2.gz HWKWUONHTUOAGE-PHIMTYICSA-N 1 2 273.402 0.890 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H](C)[N@@H+]1C ZINC000915905072 637879636 /nfs/dbraw/zinc/87/96/36/637879636.db2.gz HWKWUONHTUOAGE-PHIMTYICSA-N 1 2 273.402 0.890 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000185129074 638752470 /nfs/dbraw/zinc/75/24/70/638752470.db2.gz CKEAKHZUDZGWNN-GFCCVEGCSA-N 1 2 252.358 0.873 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999317119 638974227 /nfs/dbraw/zinc/97/42/27/638974227.db2.gz NIZALMCZBMJKEA-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999317119 638974230 /nfs/dbraw/zinc/97/42/30/638974230.db2.gz NIZALMCZBMJKEA-GFCCVEGCSA-N 1 2 261.329 0.446 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710402 650481143 /nfs/dbraw/zinc/48/11/43/650481143.db2.gz GOVDQWZTEBKSMT-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710402 650481145 /nfs/dbraw/zinc/48/11/45/650481145.db2.gz GOVDQWZTEBKSMT-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832166 650493886 /nfs/dbraw/zinc/49/38/86/650493886.db2.gz MMWYASRNINPXMI-SNVBAGLBSA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832166 650493887 /nfs/dbraw/zinc/49/38/87/650493887.db2.gz MMWYASRNINPXMI-SNVBAGLBSA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858259 650496452 /nfs/dbraw/zinc/49/64/52/650496452.db2.gz AVUWTRHVJJNHNS-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858259 650496455 /nfs/dbraw/zinc/49/64/55/650496455.db2.gz AVUWTRHVJJNHNS-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014918438 650502469 /nfs/dbraw/zinc/50/24/69/650502469.db2.gz APCUZJMNUVPKJB-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001014918438 650502472 /nfs/dbraw/zinc/50/24/72/650502472.db2.gz APCUZJMNUVPKJB-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC001003794867 639618230 /nfs/dbraw/zinc/61/82/30/639618230.db2.gz RRDYOWQVOOHUIL-UHFFFAOYSA-N 1 2 283.763 0.762 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946801112 639875145 /nfs/dbraw/zinc/87/51/45/639875145.db2.gz ZOVCXHMPOWBDPF-BETUJISGSA-N 1 2 287.367 0.646 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nnn(C)n2)CC1 ZINC001005850432 639989876 /nfs/dbraw/zinc/98/98/76/639989876.db2.gz YUKPXRKYOIVZCE-UHFFFAOYSA-N 1 2 298.778 0.499 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592949 650586336 /nfs/dbraw/zinc/58/63/36/650586336.db2.gz RMROQKLCEATLHW-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592949 650586340 /nfs/dbraw/zinc/58/63/40/650586340.db2.gz RMROQKLCEATLHW-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000801927360 640676079 /nfs/dbraw/zinc/67/60/79/640676079.db2.gz NZYAHQDSSOOSQM-IJLUTSLNSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000801927360 640676085 /nfs/dbraw/zinc/67/60/85/640676085.db2.gz NZYAHQDSSOOSQM-IJLUTSLNSA-N 1 2 251.330 0.658 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001015660004 650603739 /nfs/dbraw/zinc/60/37/39/650603739.db2.gz OYPRAIRVTBACSW-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001015660004 650603745 /nfs/dbraw/zinc/60/37/45/650603745.db2.gz OYPRAIRVTBACSW-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015674154 650607066 /nfs/dbraw/zinc/60/70/66/650607066.db2.gz VWHNFQRXQYQRIM-SNVBAGLBSA-N 1 2 251.330 0.019 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015674154 650607069 /nfs/dbraw/zinc/60/70/69/650607069.db2.gz VWHNFQRXQYQRIM-SNVBAGLBSA-N 1 2 251.330 0.019 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000808755230 640877712 /nfs/dbraw/zinc/87/77/12/640877712.db2.gz JSFSMWDWLAEJIA-SECBINFHSA-N 1 2 265.317 0.618 20 30 CCEDLO N#Cc1cccn(CN2CCn3c[nH+]cc3C2)c1=O ZINC000811788075 640986766 /nfs/dbraw/zinc/98/67/66/640986766.db2.gz YAEYDASJKMBBBE-UHFFFAOYSA-N 1 2 255.281 0.390 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015989129 650671358 /nfs/dbraw/zinc/67/13/58/650671358.db2.gz MPIKLDNALWAPRJ-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015989129 650671361 /nfs/dbraw/zinc/67/13/61/650671361.db2.gz MPIKLDNALWAPRJ-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015989129 650671363 /nfs/dbraw/zinc/67/13/63/650671363.db2.gz MPIKLDNALWAPRJ-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015989129 650671364 /nfs/dbraw/zinc/67/13/64/650671364.db2.gz MPIKLDNALWAPRJ-NEPJUHHUSA-N 1 2 289.383 0.676 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000837468990 642746445 /nfs/dbraw/zinc/74/64/45/642746445.db2.gz WLUFYZSCLNEPGS-HNNXBMFYSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1 ZINC001017407062 650799495 /nfs/dbraw/zinc/79/94/95/650799495.db2.gz BGSKCWXGUKIMOF-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1 ZINC001017407062 650799497 /nfs/dbraw/zinc/79/94/97/650799497.db2.gz BGSKCWXGUKIMOF-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)c1C ZINC001017439456 650802404 /nfs/dbraw/zinc/80/24/04/650802404.db2.gz KUTYABDLOAKKAW-BETUJISGSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)c1C ZINC001017439456 650802406 /nfs/dbraw/zinc/80/24/06/650802406.db2.gz KUTYABDLOAKKAW-BETUJISGSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nnc[nH]1 ZINC001017455189 650803657 /nfs/dbraw/zinc/80/36/57/650803657.db2.gz SQYQFNPDHOFSLD-BETUJISGSA-N 1 2 287.367 0.436 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nnc[nH]1 ZINC001017455189 650803659 /nfs/dbraw/zinc/80/36/59/650803659.db2.gz SQYQFNPDHOFSLD-BETUJISGSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CC1 ZINC001017518277 650807852 /nfs/dbraw/zinc/80/78/52/650807852.db2.gz OXVGVRRPMSGHTG-HZSPNIEDSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CC1 ZINC001017518277 650807853 /nfs/dbraw/zinc/80/78/53/650807853.db2.gz OXVGVRRPMSGHTG-HZSPNIEDSA-N 1 2 262.353 0.720 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2n1 ZINC001017601891 650813602 /nfs/dbraw/zinc/81/36/02/650813602.db2.gz OBOVKAGIXODLBD-PHIMTYICSA-N 1 2 298.350 0.828 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2n1 ZINC001017601891 650813603 /nfs/dbraw/zinc/81/36/03/650813603.db2.gz OBOVKAGIXODLBD-PHIMTYICSA-N 1 2 298.350 0.828 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(CC)CCNC1=O ZINC001017634843 650814844 /nfs/dbraw/zinc/81/48/44/650814844.db2.gz VZXOYCDQFVRJGK-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(CC)CCNC1=O ZINC001017634843 650814846 /nfs/dbraw/zinc/81/48/46/650814846.db2.gz VZXOYCDQFVRJGK-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]nc1C ZINC001017784446 650822437 /nfs/dbraw/zinc/82/24/37/650822437.db2.gz HZDOTSPQXZKZKR-TXEJJXNPSA-N 1 2 273.340 0.425 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]nc1C ZINC001017784446 650822439 /nfs/dbraw/zinc/82/24/39/650822439.db2.gz HZDOTSPQXZKZKR-TXEJJXNPSA-N 1 2 273.340 0.425 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc[nH]1 ZINC001018157039 650846014 /nfs/dbraw/zinc/84/60/14/650846014.db2.gz CALDYHDNWIDDSE-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnc[nH]1 ZINC001018157039 650846015 /nfs/dbraw/zinc/84/60/15/650846015.db2.gz CALDYHDNWIDDSE-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851809448 643886331 /nfs/dbraw/zinc/88/63/31/643886331.db2.gz PSRSYKBPCUNREX-FZMZJTMJSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851809448 643886334 /nfs/dbraw/zinc/88/63/34/643886334.db2.gz PSRSYKBPCUNREX-FZMZJTMJSA-N 1 2 261.325 0.593 20 30 CCEDLO C#CCOCC[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000851935940 643898951 /nfs/dbraw/zinc/89/89/51/643898951.db2.gz UCVZPWSSPBUNRM-CYBMUJFWSA-N 1 2 269.341 0.584 20 30 CCEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)NCCC#N ZINC000852440972 643966696 /nfs/dbraw/zinc/96/66/96/643966696.db2.gz JBOSENFPXRRMPG-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)NCCC#N ZINC000852440972 643966703 /nfs/dbraw/zinc/96/67/03/643966703.db2.gz JBOSENFPXRRMPG-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO Cn1ccnc(N=NCc2c[nH+]c3n2CCC3)c1=O ZINC000853315047 644098151 /nfs/dbraw/zinc/09/81/51/644098151.db2.gz WXVAQVKLBDAABT-UHFFFAOYSA-N 1 2 258.285 0.369 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857886682 644572428 /nfs/dbraw/zinc/57/24/28/644572428.db2.gz HUTPMYPDNLFCPU-GXTWGEPZSA-N 1 2 282.303 0.529 20 30 CCEDLO N#CCn1cc(NC(=O)/C=C/C[NH+]2CCOCC2)cn1 ZINC000865059507 645316603 /nfs/dbraw/zinc/31/66/03/645316603.db2.gz UPJPGWYBGCAYIW-OWOJBTEDSA-N 1 2 275.312 0.234 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865189357 645336187 /nfs/dbraw/zinc/33/61/87/645336187.db2.gz GOWOZPHXSJUNGC-LLVKDONJSA-N 1 2 293.392 0.953 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000869244064 645862672 /nfs/dbraw/zinc/86/26/72/645862672.db2.gz UEYHMMGOQQKVFO-MNOVXSKESA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000869244064 645862676 /nfs/dbraw/zinc/86/26/76/645862676.db2.gz UEYHMMGOQQKVFO-MNOVXSKESA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000887672491 648138274 /nfs/dbraw/zinc/13/82/74/648138274.db2.gz BPSAFSVQKKJQAL-CYBMUJFWSA-N 1 2 262.313 0.804 20 30 CCEDLO Cc1nc(CN2CC[NH+](C[C@H](O)CC#N)CC2)cs1 ZINC000929183118 648711214 /nfs/dbraw/zinc/71/12/14/648711214.db2.gz WEJLYJSRBNOQGS-CYBMUJFWSA-N 1 2 280.397 0.844 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000929270587 648722995 /nfs/dbraw/zinc/72/29/95/648722995.db2.gz UIAYCEKIOPXJTG-CYBMUJFWSA-N 1 2 271.324 0.350 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000930011391 648812206 /nfs/dbraw/zinc/81/22/06/648812206.db2.gz VCSVOZGFVNTUKU-LLVKDONJSA-N 1 2 299.325 0.670 20 30 CCEDLO CC[C@@H]1C[N@H+](C[C@H](O)CC#N)CCN1CC(F)F ZINC000930141523 648828805 /nfs/dbraw/zinc/82/88/05/648828805.db2.gz AOIHYELULCRHPT-GHMZBOCLSA-N 1 2 261.316 0.922 20 30 CCEDLO CC[C@@H]1C[N@@H+](C[C@H](O)CC#N)CCN1CC(F)F ZINC000930141523 648828807 /nfs/dbraw/zinc/82/88/07/648828807.db2.gz AOIHYELULCRHPT-GHMZBOCLSA-N 1 2 261.316 0.922 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930542191 648873699 /nfs/dbraw/zinc/87/36/99/648873699.db2.gz TUJUOANETUCCKC-QWHCGFSZSA-N 1 2 254.330 0.290 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930542191 648873700 /nfs/dbraw/zinc/87/37/00/648873700.db2.gz TUJUOANETUCCKC-QWHCGFSZSA-N 1 2 254.330 0.290 20 30 CCEDLO C[C@H]1C[N@H+](CCN2CCO[C@@](C)(C#N)C2)CCO1 ZINC000933607182 649129037 /nfs/dbraw/zinc/12/90/37/649129037.db2.gz NAXVBNNOOQKPKP-STQMWFEESA-N 1 2 253.346 0.322 20 30 CCEDLO C[C@H]1C[N@@H+](CCN2CCO[C@@](C)(C#N)C2)CCO1 ZINC000933607182 649129039 /nfs/dbraw/zinc/12/90/39/649129039.db2.gz NAXVBNNOOQKPKP-STQMWFEESA-N 1 2 253.346 0.322 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000948102576 649363804 /nfs/dbraw/zinc/36/38/04/649363804.db2.gz PBYBJPONPYSHER-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO C=CC[NH+]1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165031968 721868578 /nfs/dbraw/zinc/86/85/78/721868578.db2.gz FOBBTSYRRMNTOC-UHFFFAOYSA-N 1 2 278.312 0.845 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230497452 805606188 /nfs/dbraw/zinc/60/61/88/805606188.db2.gz WJMMXBMUBLXUGF-AWEZNQCLSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)NCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230497452 805606192 /nfs/dbraw/zinc/60/61/92/805606192.db2.gz WJMMXBMUBLXUGF-AWEZNQCLSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC)C1=O ZINC001230551246 805620099 /nfs/dbraw/zinc/62/00/99/805620099.db2.gz ATAIJNLNOMGIAD-CHWSQXEVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC)C1=O ZINC001230551246 805620101 /nfs/dbraw/zinc/62/01/01/805620101.db2.gz ATAIJNLNOMGIAD-CHWSQXEVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230555987 805621253 /nfs/dbraw/zinc/62/12/53/805621253.db2.gz ARHLSXAIDYXLDP-AAEUAGOBSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230555987 805621255 /nfs/dbraw/zinc/62/12/55/805621255.db2.gz ARHLSXAIDYXLDP-AAEUAGOBSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633068 805636437 /nfs/dbraw/zinc/63/64/37/805636437.db2.gz CMQLUKPFQZYLAL-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633068 805636440 /nfs/dbraw/zinc/63/64/40/805636440.db2.gz CMQLUKPFQZYLAL-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@@H+](C)CC(N)=O)CC1 ZINC001266320432 790499037 /nfs/dbraw/zinc/49/90/37/790499037.db2.gz LEMWRPKLKVQHSP-UHFFFAOYSA-N 1 2 253.346 0.266 20 30 CCEDLO C=C1CCC(C(=O)NCC[N@H+](C)CC(N)=O)CC1 ZINC001266320432 790499042 /nfs/dbraw/zinc/49/90/42/790499042.db2.gz LEMWRPKLKVQHSP-UHFFFAOYSA-N 1 2 253.346 0.266 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001266320543 790502380 /nfs/dbraw/zinc/50/23/80/790502380.db2.gz LNBYLCYYRMSIAC-AWEZNQCLSA-N 1 2 269.389 0.773 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001266320543 790502388 /nfs/dbraw/zinc/50/23/88/790502388.db2.gz LNBYLCYYRMSIAC-AWEZNQCLSA-N 1 2 269.389 0.773 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)NCC2CC2)C1 ZINC001266324185 790507059 /nfs/dbraw/zinc/50/70/59/790507059.db2.gz XLZXUZGZCMDPCW-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)NCC2CC2)C1 ZINC001266324185 790507069 /nfs/dbraw/zinc/50/70/69/790507069.db2.gz XLZXUZGZCMDPCW-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC000706007375 790756595 /nfs/dbraw/zinc/75/65/95/790756595.db2.gz PVXSNGSJIAGTHH-UHFFFAOYSA-N 1 2 272.352 0.768 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(SC)nc2N)CC1 ZINC001140251495 790984265 /nfs/dbraw/zinc/98/42/65/790984265.db2.gz CMNNPICUJJOAOD-UHFFFAOYSA-N 1 2 277.397 0.532 20 30 CCEDLO C=CC[N@H+](CCNC(=O)CC1CS(=O)(=O)C1)C1CC1 ZINC001266600079 791008307 /nfs/dbraw/zinc/00/83/07/791008307.db2.gz IHMDIJJZAQCMSK-UHFFFAOYSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+](CCNC(=O)CC1CS(=O)(=O)C1)C1CC1 ZINC001266600079 791008310 /nfs/dbraw/zinc/00/83/10/791008310.db2.gz IHMDIJJZAQCMSK-UHFFFAOYSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795926 805667573 /nfs/dbraw/zinc/66/75/73/805667573.db2.gz VSCGLPIEQZGLQS-UONOGXRCSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795926 805667579 /nfs/dbraw/zinc/66/75/79/805667579.db2.gz VSCGLPIEQZGLQS-UONOGXRCSA-N 1 2 293.411 0.847 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCOC ZINC001230881024 805683409 /nfs/dbraw/zinc/68/34/09/805683409.db2.gz SCQCQORTRQCSLJ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCOC ZINC001230881024 805683413 /nfs/dbraw/zinc/68/34/13/805683413.db2.gz SCQCQORTRQCSLJ-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001231122853 805734741 /nfs/dbraw/zinc/73/47/41/805734741.db2.gz OREGUJDSHDMZOR-GHMZBOCLSA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001231122853 805734751 /nfs/dbraw/zinc/73/47/51/805734751.db2.gz OREGUJDSHDMZOR-GHMZBOCLSA-N 1 2 296.371 0.069 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231121315 805735528 /nfs/dbraw/zinc/73/55/28/805735528.db2.gz BQFGACJFRAZUCN-ZDUSSCGKSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231121315 805735533 /nfs/dbraw/zinc/73/55/33/805735533.db2.gz BQFGACJFRAZUCN-ZDUSSCGKSA-N 1 2 277.368 0.235 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231247854 805761724 /nfs/dbraw/zinc/76/17/24/805761724.db2.gz RYSLENYMCWFRTN-DGCLKSJQSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231247854 805761730 /nfs/dbraw/zinc/76/17/30/805761730.db2.gz RYSLENYMCWFRTN-DGCLKSJQSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@]1(CO)C[N@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673115 805968227 /nfs/dbraw/zinc/96/82/27/805968227.db2.gz AHRNCNKYGNTMKM-GJZGRUSLSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673115 805968229 /nfs/dbraw/zinc/96/82/29/805968229.db2.gz AHRNCNKYGNTMKM-GJZGRUSLSA-N 1 2 276.336 0.829 20 30 CCEDLO N#Cc1cnc(N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)nc1 ZINC001277736724 805997370 /nfs/dbraw/zinc/99/73/70/805997370.db2.gz PSAZOCSFQWGDHN-UHFFFAOYSA-N 1 2 280.335 0.999 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001083430306 814928136 /nfs/dbraw/zinc/92/81/36/814928136.db2.gz QBRNXICTDJBHPB-ZJUUUORDSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001083430306 814928143 /nfs/dbraw/zinc/92/81/43/814928143.db2.gz QBRNXICTDJBHPB-ZJUUUORDSA-N 1 2 268.700 0.341 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(C#N)cc1O ZINC001233387496 806055951 /nfs/dbraw/zinc/05/59/51/806055951.db2.gz LHPAGBODMFDAGX-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1O ZINC001233387496 806055957 /nfs/dbraw/zinc/05/59/57/806055957.db2.gz LHPAGBODMFDAGX-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)o3)[C@H]2C1 ZINC001083232345 791448167 /nfs/dbraw/zinc/44/81/67/791448167.db2.gz UWDLTDYURYLOND-WCQYABFASA-N 1 2 292.335 0.999 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)o3)[C@H]2C1 ZINC001083232345 791448170 /nfs/dbraw/zinc/44/81/70/791448170.db2.gz UWDLTDYURYLOND-WCQYABFASA-N 1 2 292.335 0.999 20 30 CCEDLO COc1nccc(C[N@H+](C)CCNC(=O)C#CC(C)C)n1 ZINC001267194918 791656815 /nfs/dbraw/zinc/65/68/15/791656815.db2.gz HVRPGKQDOUTRIP-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO COc1nccc(C[N@@H+](C)CCNC(=O)C#CC(C)C)n1 ZINC001267194918 791656819 /nfs/dbraw/zinc/65/68/19/791656819.db2.gz HVRPGKQDOUTRIP-UHFFFAOYSA-N 1 2 290.367 0.693 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038245295 791677192 /nfs/dbraw/zinc/67/71/92/791677192.db2.gz IDNODSSGWNAHIT-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038245295 791677199 /nfs/dbraw/zinc/67/71/99/791677199.db2.gz IDNODSSGWNAHIT-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001234170047 806194209 /nfs/dbraw/zinc/19/42/09/806194209.db2.gz HSODABNYKWYBQD-ZIAGYGMSSA-N 1 2 291.395 0.409 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001234170047 806194213 /nfs/dbraw/zinc/19/42/13/806194213.db2.gz HSODABNYKWYBQD-ZIAGYGMSSA-N 1 2 291.395 0.409 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216601 806204586 /nfs/dbraw/zinc/20/45/86/806204586.db2.gz ZKJSQGJHJQGZEF-CHWSQXEVSA-N 1 2 293.411 0.703 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216601 806204593 /nfs/dbraw/zinc/20/45/93/806204593.db2.gz ZKJSQGJHJQGZEF-CHWSQXEVSA-N 1 2 293.411 0.703 20 30 CCEDLO CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001267255763 793251672 /nfs/dbraw/zinc/25/16/72/793251672.db2.gz BMGNDYQCSKSVDD-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001267255763 793251677 /nfs/dbraw/zinc/25/16/77/793251677.db2.gz BMGNDYQCSKSVDD-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CCOc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001234438974 806244721 /nfs/dbraw/zinc/24/47/21/806244721.db2.gz NMEMZQSOVIZLNT-NJFCNUMCSA-N 1 2 277.324 0.867 20 30 CCEDLO CCOc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001234438974 806244726 /nfs/dbraw/zinc/24/47/26/806244726.db2.gz NMEMZQSOVIZLNT-NJFCNUMCSA-N 1 2 277.324 0.867 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468426 806253246 /nfs/dbraw/zinc/25/32/46/806253246.db2.gz ZJIBANWPWJPACA-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468426 806253251 /nfs/dbraw/zinc/25/32/51/806253251.db2.gz ZJIBANWPWJPACA-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)NCC#N ZINC001277863708 806267643 /nfs/dbraw/zinc/26/76/43/806267643.db2.gz RBKCTEKHIRNQQK-LLVKDONJSA-N 1 2 276.340 0.593 20 30 CCEDLO COCCOCN1C[C@@H]2C[N@@H+](CCCC#N)C[C@H](C1)O2 ZINC001277943256 806417518 /nfs/dbraw/zinc/41/75/18/806417518.db2.gz QCRVVXHAJURDNA-OKILXGFUSA-N 1 2 283.372 0.296 20 30 CCEDLO COCCOCN1C[C@@H]2C[N@H+](CCCC#N)C[C@H](C1)O2 ZINC001277943256 806417524 /nfs/dbraw/zinc/41/75/24/806417524.db2.gz QCRVVXHAJURDNA-OKILXGFUSA-N 1 2 283.372 0.296 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001235683071 806490369 /nfs/dbraw/zinc/49/03/69/806490369.db2.gz DWPXUOODCPDQDB-UHFFFAOYSA-N 1 2 268.317 0.210 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001235683071 806490374 /nfs/dbraw/zinc/49/03/74/806490374.db2.gz DWPXUOODCPDQDB-UHFFFAOYSA-N 1 2 268.317 0.210 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccn2)C1 ZINC001120930344 798963500 /nfs/dbraw/zinc/96/35/00/798963500.db2.gz WTZIQNVFSSCREJ-LBPRGKRZSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccn2)C1 ZINC001120930344 798963506 /nfs/dbraw/zinc/96/35/06/798963506.db2.gz WTZIQNVFSSCREJ-LBPRGKRZSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cocn3)n2CC=C)CC1 ZINC001121523057 799054890 /nfs/dbraw/zinc/05/48/90/799054890.db2.gz AMTSFHVDAJXMHM-UHFFFAOYSA-N 1 2 298.350 0.874 20 30 CCEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)OC ZINC001121715162 799066550 /nfs/dbraw/zinc/06/65/50/799066550.db2.gz RJOIPGNJNNEWBT-UHFFFAOYSA-N 1 2 262.317 0.786 20 30 CCEDLO C[C@H](C(=O)OCc1c[nH+]cn1C)n1cnc(C#N)n1 ZINC001122643975 799280350 /nfs/dbraw/zinc/28/03/50/799280350.db2.gz NKOLUCQFDZYLSP-MRVPVSSYSA-N 1 2 260.257 0.188 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(=C)CC)CC1 ZINC001123555837 799432246 /nfs/dbraw/zinc/43/22/46/799432246.db2.gz AVZZJSGTCKVJDP-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(=C)CC)CC1 ZINC001123555837 799432248 /nfs/dbraw/zinc/43/22/48/799432248.db2.gz AVZZJSGTCKVJDP-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123694268 799455785 /nfs/dbraw/zinc/45/57/85/799455785.db2.gz JBVRTRCCDSJXAG-RBSFLKMASA-N 1 2 292.427 0.818 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123694268 799455787 /nfs/dbraw/zinc/45/57/87/799455787.db2.gz JBVRTRCCDSJXAG-RBSFLKMASA-N 1 2 292.427 0.818 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001124484721 799608901 /nfs/dbraw/zinc/60/89/01/799608901.db2.gz XLEDKQXKUYUEGH-SNVBAGLBSA-N 1 2 282.344 0.565 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124902934 799645622 /nfs/dbraw/zinc/64/56/22/799645622.db2.gz NWFVLPRVXFMDFU-HTQZYQBOSA-N 1 2 251.290 0.305 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)n1C ZINC001138185747 799710124 /nfs/dbraw/zinc/71/01/24/799710124.db2.gz SEVDOPNVASDJRL-UHFFFAOYSA-N 1 2 257.297 0.603 20 30 CCEDLO C=CCn1cc(C[NH+]2CCN(CC(=O)OC)CC2)cn1 ZINC001139770505 799840049 /nfs/dbraw/zinc/84/00/49/799840049.db2.gz PVBLBQAAWYVKGL-UHFFFAOYSA-N 1 2 278.356 0.360 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001203019258 799899429 /nfs/dbraw/zinc/89/94/29/799899429.db2.gz MCYIGJPLROYGSF-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001203019258 799899440 /nfs/dbraw/zinc/89/94/40/799899440.db2.gz MCYIGJPLROYGSF-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO N#CCN1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827193 800301597 /nfs/dbraw/zinc/30/15/97/800301597.db2.gz MACPNLIQCMFBLW-CYBMUJFWSA-N 1 2 291.355 0.073 20 30 CCEDLO N#CCN1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827193 800301601 /nfs/dbraw/zinc/30/16/01/800301601.db2.gz MACPNLIQCMFBLW-CYBMUJFWSA-N 1 2 291.355 0.073 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152489906 800529666 /nfs/dbraw/zinc/52/96/66/800529666.db2.gz IAGBXHFDQCXJCB-NSHDSACASA-N 1 2 264.329 0.759 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152489906 800529670 /nfs/dbraw/zinc/52/96/70/800529670.db2.gz IAGBXHFDQCXJCB-NSHDSACASA-N 1 2 264.329 0.759 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001153134987 800599952 /nfs/dbraw/zinc/59/99/52/800599952.db2.gz KNXLDTFCWDFUBO-VIFPVBQESA-N 1 2 268.317 0.175 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nccc3c[nH]nc32)CC1 ZINC001156483928 801173107 /nfs/dbraw/zinc/17/31/07/801173107.db2.gz CXNMXBXUNIDFIN-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(Cl)cnc1C#N ZINC001157770597 801476254 /nfs/dbraw/zinc/47/62/54/801476254.db2.gz NHHTWHOIHYTOGE-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(Cl)cnc1C#N ZINC001157770597 801476258 /nfs/dbraw/zinc/47/62/58/801476258.db2.gz NHHTWHOIHYTOGE-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)n1ncc(C#N)c1Nc1ncc2c(n1)C[NH2+]C2 ZINC001158965383 801729620 /nfs/dbraw/zinc/72/96/20/801729620.db2.gz QBKICLYFZBJUMH-UHFFFAOYSA-N 1 2 285.267 0.506 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1 ZINC001246186764 807180051 /nfs/dbraw/zinc/18/00/51/807180051.db2.gz HMEOEMVYYDEBKB-OLZOCXBDSA-N 1 2 259.309 0.551 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc(N)cn2)cc1 ZINC001160077809 801905237 /nfs/dbraw/zinc/90/52/37/801905237.db2.gz XVYQKWBKDURANU-UHFFFAOYSA-N 1 2 255.281 0.800 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCNCC#N)C2 ZINC001161323212 802125352 /nfs/dbraw/zinc/12/53/52/802125352.db2.gz FUHDVLNCQYSGDT-LLVKDONJSA-N 1 2 275.356 0.443 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCNCC#N)CC2 ZINC001161323212 802125355 /nfs/dbraw/zinc/12/53/55/802125355.db2.gz FUHDVLNCQYSGDT-LLVKDONJSA-N 1 2 275.356 0.443 20 30 CCEDLO N#Cc1cnc(N2CC[NH+](CCO)CC2)c(F)c1 ZINC001161984631 802263864 /nfs/dbraw/zinc/26/38/64/802263864.db2.gz IVQYUOAKSUTXJK-UHFFFAOYSA-N 1 2 250.277 0.207 20 30 CCEDLO C#Cc1ccc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)cc1 ZINC001163734388 802600405 /nfs/dbraw/zinc/60/04/05/802600405.db2.gz PPAJQKJZVXXBGZ-UHFFFAOYSA-N 1 2 298.350 0.101 20 30 CCEDLO CC[C@H](C#N)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001263954206 809612060 /nfs/dbraw/zinc/61/20/60/809612060.db2.gz LMTAICWMIZGBGJ-SECBINFHSA-N 1 2 250.302 0.902 20 30 CCEDLO Cc1ncc(C#N)c(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164492830 802748398 /nfs/dbraw/zinc/74/83/98/802748398.db2.gz HBRCHLTTWRKWDA-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO Cc1noc(-c2ccnc(N3CC[NH2+]C[C@H]3C#N)c2)n1 ZINC001164661795 802776142 /nfs/dbraw/zinc/77/61/42/802776142.db2.gz OQDHSUKKZNROQU-LLVKDONJSA-N 1 2 270.296 0.742 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001268020006 811964961 /nfs/dbraw/zinc/96/49/61/811964961.db2.gz UDFJHYYXYFQOFE-LBPRGKRZSA-N 1 2 282.384 0.995 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001268020006 811964963 /nfs/dbraw/zinc/96/49/63/811964963.db2.gz UDFJHYYXYFQOFE-LBPRGKRZSA-N 1 2 282.384 0.995 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206076303 803201916 /nfs/dbraw/zinc/20/19/16/803201916.db2.gz RJXDIUXHRQVERC-IJLUTSLNSA-N 1 2 280.372 0.109 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206076303 803201922 /nfs/dbraw/zinc/20/19/22/803201922.db2.gz RJXDIUXHRQVERC-IJLUTSLNSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC1CCC1 ZINC001206774167 803283846 /nfs/dbraw/zinc/28/38/46/803283846.db2.gz JKIWLYHJTKMBAI-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC1CCC1 ZINC001206774167 803283852 /nfs/dbraw/zinc/28/38/52/803283852.db2.gz JKIWLYHJTKMBAI-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO Cn1cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)cc1C#N ZINC001207110841 803355839 /nfs/dbraw/zinc/35/58/39/803355839.db2.gz VEKHCBCHQHJEJW-AWEZNQCLSA-N 1 2 285.351 0.860 20 30 CCEDLO Cn1cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)cc1C#N ZINC001207110841 803355842 /nfs/dbraw/zinc/35/58/42/803355842.db2.gz VEKHCBCHQHJEJW-AWEZNQCLSA-N 1 2 285.351 0.860 20 30 CCEDLO C#CCCCCC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001271270379 814360692 /nfs/dbraw/zinc/36/06/92/814360692.db2.gz VMYUHQHCGJZFBL-UHFFFAOYSA-N 1 2 264.369 0.919 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc[nH]c2C)C1 ZINC001271269672 814360953 /nfs/dbraw/zinc/36/09/53/814360953.db2.gz JWTVHNKRCZZHPD-UHFFFAOYSA-N 1 2 263.341 0.676 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CO)cc1C#N ZINC001271274937 814361975 /nfs/dbraw/zinc/36/19/75/814361975.db2.gz OJLJFXQMLVRVJQ-BETUJISGSA-N 1 2 288.351 0.064 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CO)cc1C#N ZINC001271274937 814361983 /nfs/dbraw/zinc/36/19/83/814361983.db2.gz OJLJFXQMLVRVJQ-BETUJISGSA-N 1 2 288.351 0.064 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)o2)CC1 ZINC000089945016 803544045 /nfs/dbraw/zinc/54/40/45/803544045.db2.gz KDSGLTNXYKJXSB-UHFFFAOYSA-N 1 2 262.309 0.817 20 30 CCEDLO C#CCCCCCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001276602190 803555747 /nfs/dbraw/zinc/55/57/47/803555747.db2.gz WXJHUTXCGLBBJH-ZDUSSCGKSA-N 1 2 293.411 0.882 20 30 CCEDLO C#CCCCCCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001276602190 803555752 /nfs/dbraw/zinc/55/57/52/803555752.db2.gz WXJHUTXCGLBBJH-ZDUSSCGKSA-N 1 2 293.411 0.882 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213317495 803689912 /nfs/dbraw/zinc/68/99/12/803689912.db2.gz MDRDARCWLNKLEZ-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213317495 803689914 /nfs/dbraw/zinc/68/99/14/803689914.db2.gz MDRDARCWLNKLEZ-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC)[C@H]2C1 ZINC001217305935 803884927 /nfs/dbraw/zinc/88/49/27/803884927.db2.gz MGIZGADLMNSXDM-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC)[C@H]2C1 ZINC001217305935 803884935 /nfs/dbraw/zinc/88/49/35/803884935.db2.gz MGIZGADLMNSXDM-QWHCGFSZSA-N 1 2 250.342 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217585654 803898203 /nfs/dbraw/zinc/89/82/03/803898203.db2.gz MWHXQLMWLXXHBO-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217585654 803898213 /nfs/dbraw/zinc/89/82/13/803898213.db2.gz MWHXQLMWLXXHBO-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C=C1O[C@H](C)C(=O)C1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218292172 803946275 /nfs/dbraw/zinc/94/62/75/803946275.db2.gz WFVRMCAYDMYTFX-PELKAZGASA-N 1 2 290.319 0.640 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039279 814983041 /nfs/dbraw/zinc/98/30/41/814983041.db2.gz IRFZPVBGMAOFIU-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039279 814983048 /nfs/dbraw/zinc/98/30/48/814983048.db2.gz IRFZPVBGMAOFIU-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001219344835 804279621 /nfs/dbraw/zinc/27/96/21/804279621.db2.gz XOBORIMOIPNHOY-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001219344835 804279628 /nfs/dbraw/zinc/27/96/28/804279628.db2.gz XOBORIMOIPNHOY-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219378658 804289626 /nfs/dbraw/zinc/28/96/26/804289626.db2.gz BKQSUCTUJZBRRV-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219378658 804289631 /nfs/dbraw/zinc/28/96/31/804289631.db2.gz BKQSUCTUJZBRRV-HONMWMINSA-N 1 2 291.326 0.647 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001219550096 804343536 /nfs/dbraw/zinc/34/35/36/804343536.db2.gz NMWIHVICWRMHBW-AWEZNQCLSA-N 1 2 270.292 0.867 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219576186 804355799 /nfs/dbraw/zinc/35/57/99/804355799.db2.gz JOYHUMSSJKEMFM-CUSVYIHLSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219576186 804355807 /nfs/dbraw/zinc/35/58/07/804355807.db2.gz JOYHUMSSJKEMFM-CUSVYIHLSA-N 1 2 280.368 0.154 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@@H](O)C1 ZINC001219915425 804446389 /nfs/dbraw/zinc/44/63/89/804446389.db2.gz KKUQBZQBAJBUEH-BNOWGMLFSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@@H](O)C1 ZINC001219915425 804446391 /nfs/dbraw/zinc/44/63/91/804446391.db2.gz KKUQBZQBAJBUEH-BNOWGMLFSA-N 1 2 266.385 0.853 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](O)C1 ZINC001220461619 804609445 /nfs/dbraw/zinc/60/94/45/804609445.db2.gz XJWNWCKMMVIUBK-MCIONIFRSA-N 1 2 282.384 0.090 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](O)C1 ZINC001220461619 804609447 /nfs/dbraw/zinc/60/94/47/804609447.db2.gz XJWNWCKMMVIUBK-MCIONIFRSA-N 1 2 282.384 0.090 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220632076 804639081 /nfs/dbraw/zinc/63/90/81/804639081.db2.gz ZMJIPCWTWVQGMC-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220632076 804639084 /nfs/dbraw/zinc/63/90/84/804639084.db2.gz ZMJIPCWTWVQGMC-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221530347 804828421 /nfs/dbraw/zinc/82/84/21/804828421.db2.gz HDKBKKQZLVZDOL-YNEHKIRRSA-N 1 2 277.368 0.052 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221530347 804828429 /nfs/dbraw/zinc/82/84/29/804828429.db2.gz HDKBKKQZLVZDOL-YNEHKIRRSA-N 1 2 277.368 0.052 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221577804 804832095 /nfs/dbraw/zinc/83/20/95/804832095.db2.gz HODDGPSGZRXMIY-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221577804 804832103 /nfs/dbraw/zinc/83/21/03/804832103.db2.gz HODDGPSGZRXMIY-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001221816742 804846982 /nfs/dbraw/zinc/84/69/82/804846982.db2.gz DKZLANARCDDFHK-LBPRGKRZSA-N 1 2 252.362 0.204 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001222637209 804922573 /nfs/dbraw/zinc/92/25/73/804922573.db2.gz YHOPKTHPHZRQTB-LLVKDONJSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ncnn2C)CC1 ZINC001222641621 804923458 /nfs/dbraw/zinc/92/34/58/804923458.db2.gz PXJPUXJPRREHIL-NSHDSACASA-N 1 2 290.371 0.303 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001276941001 805005257 /nfs/dbraw/zinc/00/52/57/805005257.db2.gz NNFFXBULYAQSIW-GWCFXTLKSA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001276941001 805005267 /nfs/dbraw/zinc/00/52/67/805005267.db2.gz NNFFXBULYAQSIW-GWCFXTLKSA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001276970222 805034889 /nfs/dbraw/zinc/03/48/89/805034889.db2.gz NEMDBSYPEAVELE-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001276970222 805034900 /nfs/dbraw/zinc/03/49/00/805034900.db2.gz NEMDBSYPEAVELE-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCn1cc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)cn1 ZINC001277019116 805106471 /nfs/dbraw/zinc/10/64/71/805106471.db2.gz VKXNJGJPUGNFTG-ZDUSSCGKSA-N 1 2 274.368 0.979 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225297784 805120381 /nfs/dbraw/zinc/12/03/81/805120381.db2.gz ATWCDGCWUQQEGA-KLLCGCCRSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C(N)=O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225297784 805120387 /nfs/dbraw/zinc/12/03/87/805120387.db2.gz ATWCDGCWUQQEGA-KLLCGCCRSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225630461 805145996 /nfs/dbraw/zinc/14/59/96/805145996.db2.gz YWDHDXMJUGDARH-ADAFDVPTSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225630461 805146000 /nfs/dbraw/zinc/14/60/00/805146000.db2.gz YWDHDXMJUGDARH-ADAFDVPTSA-N 1 2 277.280 0.981 20 30 CCEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576202 815063865 /nfs/dbraw/zinc/06/38/65/815063865.db2.gz SBLIOXLBKHJNNE-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001227244480 805334657 /nfs/dbraw/zinc/33/46/57/805334657.db2.gz NGXPPZYZPDOTMP-UHFFFAOYSA-N 1 2 289.383 0.555 20 30 CCEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cs1 ZINC001251011073 807640400 /nfs/dbraw/zinc/64/04/00/807640400.db2.gz GDHPCGOTYCJFDI-LLVKDONJSA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1ncc(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251011944 807642050 /nfs/dbraw/zinc/64/20/50/807642050.db2.gz PNAABSWLMOSGRK-LLVKDONJSA-N 1 2 280.303 0.197 20 30 CCEDLO N#Cc1cccc(O)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251028637 807647921 /nfs/dbraw/zinc/64/79/21/807647921.db2.gz LDJYBRPYGPFXEM-GFCCVEGCSA-N 1 2 277.324 0.369 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001251744611 807701015 /nfs/dbraw/zinc/70/10/15/807701015.db2.gz UWMXONPQMKPSQO-GFCCVEGCSA-N 1 2 262.313 0.006 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001251885408 807734726 /nfs/dbraw/zinc/73/47/26/807734726.db2.gz UXMRTSJSGBZGSQ-LLVKDONJSA-N 1 2 259.309 0.663 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC=C ZINC001251887588 807735391 /nfs/dbraw/zinc/73/53/91/807735391.db2.gz GBNLCRLFUSTTOJ-KBPBESRZSA-N 1 2 283.368 0.731 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252481427 807887339 /nfs/dbraw/zinc/88/73/39/807887339.db2.gz CCYVNCUMZOGMGN-LLVKDONJSA-N 1 2 257.330 0.625 20 30 CCEDLO C=CC[NH+]1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC001252638625 807924765 /nfs/dbraw/zinc/92/47/65/807924765.db2.gz VGZGDPIYQDYCSS-AWEZNQCLSA-N 1 2 280.368 0.961 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253689270 808117425 /nfs/dbraw/zinc/11/74/25/808117425.db2.gz QOSFBCOXUBZKBT-MFKMUULPSA-N 1 2 254.330 0.925 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001253689270 808117427 /nfs/dbraw/zinc/11/74/27/808117427.db2.gz QOSFBCOXUBZKBT-MFKMUULPSA-N 1 2 254.330 0.925 20 30 CCEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001254669590 808271585 /nfs/dbraw/zinc/27/15/85/808271585.db2.gz TVKOLTKWNNCLML-HZPDHXFCSA-N 1 2 292.427 0.628 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126899622 815203073 /nfs/dbraw/zinc/20/30/73/815203073.db2.gz VRLFTQCKPPPOCS-UHFFFAOYSA-N 1 2 276.340 0.812 20 30 CCEDLO CCOC(=O)CCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258119433 808656492 /nfs/dbraw/zinc/65/64/92/808656492.db2.gz HJMGJLHMJHXGMS-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO COC(=O)NC1C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001262167827 809216296 /nfs/dbraw/zinc/21/62/96/809216296.db2.gz BHBHOUSTMREYJS-LLVKDONJSA-N 1 2 267.329 0.471 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001262199673 809238624 /nfs/dbraw/zinc/23/86/24/809238624.db2.gz VWOQOOQHTHBQPH-QWHCGFSZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001262199673 809238628 /nfs/dbraw/zinc/23/86/28/809238628.db2.gz VWOQOOQHTHBQPH-QWHCGFSZSA-N 1 2 295.383 0.984 20 30 CCEDLO N#CCN1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000382416621 809549795 /nfs/dbraw/zinc/54/97/95/809549795.db2.gz AKWLITVWMWZSQF-UHFFFAOYSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CCN1CC#N ZINC001264375185 809646530 /nfs/dbraw/zinc/64/65/30/809646530.db2.gz VYFOIMBZTRFOPQ-YPMHNXCESA-N 1 2 275.356 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CCN1CC#N ZINC001264375185 809646536 /nfs/dbraw/zinc/64/65/36/809646536.db2.gz VYFOIMBZTRFOPQ-YPMHNXCESA-N 1 2 275.356 0.645 20 30 CCEDLO CCCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265204393 809723679 /nfs/dbraw/zinc/72/36/79/809723679.db2.gz XWQLYYJLYIZWEG-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265204393 809723684 /nfs/dbraw/zinc/72/36/84/809723684.db2.gz XWQLYYJLYIZWEG-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001265263956 809734354 /nfs/dbraw/zinc/73/43/54/809734354.db2.gz CVINLMZAFWMUGV-LSDHHAIUSA-N 1 2 293.411 0.169 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001265278866 809744384 /nfs/dbraw/zinc/74/43/84/809744384.db2.gz LGPQLSSKPYROTK-CYBMUJFWSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001265278866 809744386 /nfs/dbraw/zinc/74/43/86/809744386.db2.gz LGPQLSSKPYROTK-CYBMUJFWSA-N 1 2 275.352 0.037 20 30 CCEDLO N#CCc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)cc1 ZINC000392813722 809811807 /nfs/dbraw/zinc/81/18/07/809811807.db2.gz KCIARGANHLWAOB-UHFFFAOYSA-N 1 2 291.376 0.903 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001265774195 809849536 /nfs/dbraw/zinc/84/95/36/809849536.db2.gz BIIAWAUXAHIBBV-SNVBAGLBSA-N 1 2 280.328 0.012 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001280402785 810014779 /nfs/dbraw/zinc/01/47/79/810014779.db2.gz MECRIXYMPUVALU-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001280402785 810014782 /nfs/dbraw/zinc/01/47/82/810014782.db2.gz MECRIXYMPUVALU-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001076965880 815423598 /nfs/dbraw/zinc/42/35/98/815423598.db2.gz ZCIVYIIBIKQIQC-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001076965880 815423603 /nfs/dbraw/zinc/42/36/03/815423603.db2.gz ZCIVYIIBIKQIQC-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318798 811444427 /nfs/dbraw/zinc/44/44/27/811444427.db2.gz UERSWHVYIOCOQF-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318798 811444441 /nfs/dbraw/zinc/44/44/41/811444441.db2.gz UERSWHVYIOCOQF-CHWSQXEVSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001267572351 811463175 /nfs/dbraw/zinc/46/31/75/811463175.db2.gz JNQIIKGFKQFAQY-HOCLYGCPSA-N 1 2 293.411 0.285 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001077136354 815449960 /nfs/dbraw/zinc/44/99/60/815449960.db2.gz SEXMDDOOPUZNRA-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001077136354 815449963 /nfs/dbraw/zinc/44/99/63/815449963.db2.gz SEXMDDOOPUZNRA-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)C1 ZINC001267574936 811468702 /nfs/dbraw/zinc/46/87/02/811468702.db2.gz XSBDAFPOLFTCGC-UHFFFAOYSA-N 1 2 290.411 0.942 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001077180770 815457635 /nfs/dbraw/zinc/45/76/35/815457635.db2.gz OVAOOTAIVSPGTC-ZIAGYGMSSA-N 1 2 298.346 0.313 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001077180770 815457638 /nfs/dbraw/zinc/45/76/38/815457638.db2.gz OVAOOTAIVSPGTC-ZIAGYGMSSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001077187380 815458497 /nfs/dbraw/zinc/45/84/97/815458497.db2.gz PGUAMNAYVATIHE-GHMZBOCLSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001077187380 815458500 /nfs/dbraw/zinc/45/85/00/815458500.db2.gz PGUAMNAYVATIHE-GHMZBOCLSA-N 1 2 284.768 0.810 20 30 CCEDLO C=CCCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001267642449 811605124 /nfs/dbraw/zinc/60/51/24/811605124.db2.gz FADGTFOQXZKZTP-UHFFFAOYSA-N 1 2 262.357 0.729 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](C[C@H](O)COC)C2)CCC1 ZINC001267658695 811627567 /nfs/dbraw/zinc/62/75/67/811627567.db2.gz JAZNGRDDLXZUHT-ZDUSSCGKSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCOCCN1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267667681 811631331 /nfs/dbraw/zinc/63/13/31/811631331.db2.gz HDZVAAPEXLBMDE-UHFFFAOYSA-N 1 2 292.383 0.356 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001267668873 811633816 /nfs/dbraw/zinc/63/38/16/811633816.db2.gz ALJVJNJWEIRBDG-UHFFFAOYSA-N 1 2 274.368 0.783 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)CCS(C)(=O)=O)C1 ZINC001267685781 811651769 /nfs/dbraw/zinc/65/17/69/811651769.db2.gz KQJSWXRQCIETEF-UHFFFAOYSA-N 1 2 274.386 0.045 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001267749327 811740640 /nfs/dbraw/zinc/74/06/40/811740640.db2.gz MMEKHUVYXXOFCY-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001267749327 811740642 /nfs/dbraw/zinc/74/06/42/811740642.db2.gz MMEKHUVYXXOFCY-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001083295547 811799455 /nfs/dbraw/zinc/79/94/55/811799455.db2.gz BJBPURFDAJZLMJ-CABCVRRESA-N 1 2 292.766 0.873 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001083295547 811799460 /nfs/dbraw/zinc/79/94/60/811799460.db2.gz BJBPURFDAJZLMJ-CABCVRRESA-N 1 2 292.766 0.873 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001077381141 815489314 /nfs/dbraw/zinc/48/93/14/815489314.db2.gz BIMKIPKSLUJXMF-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001077381141 815489316 /nfs/dbraw/zinc/48/93/16/815489316.db2.gz BIMKIPKSLUJXMF-HTQZYQBOSA-N 1 2 287.772 0.757 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001058853538 812205989 /nfs/dbraw/zinc/20/59/89/812205989.db2.gz MSEVFPYQCHFPII-ZJUUUORDSA-N 1 2 299.338 0.536 20 30 CCEDLO C=CC(NCC(F)(F)C(=O)OCC)=[NH+]COC ZINC001167848742 812290724 /nfs/dbraw/zinc/29/07/24/812290724.db2.gz AIZOQSCRGXDEBS-UHFFFAOYSA-N 1 2 250.245 0.963 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028116041 812289814 /nfs/dbraw/zinc/28/98/14/812289814.db2.gz AITIRPONPJIXLA-LLVKDONJSA-N 1 2 276.340 0.343 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028116041 812289823 /nfs/dbraw/zinc/28/98/23/812289823.db2.gz AITIRPONPJIXLA-LLVKDONJSA-N 1 2 276.340 0.343 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001268184483 812352147 /nfs/dbraw/zinc/35/21/47/812352147.db2.gz SKFDLJSSLSBRDS-AWEZNQCLSA-N 1 2 289.379 0.427 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001268184483 812352155 /nfs/dbraw/zinc/35/21/55/812352155.db2.gz SKFDLJSSLSBRDS-AWEZNQCLSA-N 1 2 289.379 0.427 20 30 CCEDLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CNCC#N ZINC001268196822 812358276 /nfs/dbraw/zinc/35/82/76/812358276.db2.gz FPANQYBVQLZMAA-QWHCGFSZSA-N 1 2 275.356 0.623 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCOCC(F)F)C1 ZINC001268309823 812473194 /nfs/dbraw/zinc/47/31/94/812473194.db2.gz PMROUAIOKWFMRG-UHFFFAOYSA-N 1 2 260.284 0.482 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001207680036 812558556 /nfs/dbraw/zinc/55/85/56/812558556.db2.gz HVPRDMLNHPEEEH-NSHDSACASA-N 1 2 296.396 0.821 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001268445669 812570095 /nfs/dbraw/zinc/57/00/95/812570095.db2.gz AISZVBFGAWEALR-JSGCOSHPSA-N 1 2 270.373 0.396 20 30 CCEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058946685 812578354 /nfs/dbraw/zinc/57/83/54/812578354.db2.gz QXPHFGUHWYXINS-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001039003669 812588589 /nfs/dbraw/zinc/58/85/89/812588589.db2.gz PALJKGRGJHVVGX-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001039003669 812588591 /nfs/dbraw/zinc/58/85/91/812588591.db2.gz PALJKGRGJHVVGX-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C=CCCC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001268524544 812768173 /nfs/dbraw/zinc/76/81/73/812768173.db2.gz OKQLVBCOLVABLK-AATRIKPKSA-N 1 2 263.345 0.543 20 30 CCEDLO CC#CCCCC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001268581142 812864431 /nfs/dbraw/zinc/86/44/31/812864431.db2.gz VKOZEGJBANTYRA-BQYQJAHWSA-N 1 2 290.371 0.166 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(=O)NC)CC2)C1 ZINC001105703296 815558204 /nfs/dbraw/zinc/55/82/04/815558204.db2.gz WJZHZTXNBNQZPC-UHFFFAOYSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCCC(N)=O)C1 ZINC001268895706 813137197 /nfs/dbraw/zinc/13/71/97/813137197.db2.gz BGSMLXVYNFTTLY-UHFFFAOYSA-N 1 2 287.791 0.833 20 30 CCEDLO CC[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001268922474 813144499 /nfs/dbraw/zinc/14/44/99/813144499.db2.gz OXRMXJBAEHLLHQ-IHRRRGAJSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001268922474 813144505 /nfs/dbraw/zinc/14/45/05/813144505.db2.gz OXRMXJBAEHLLHQ-IHRRRGAJSA-N 1 2 264.369 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001268934842 813154640 /nfs/dbraw/zinc/15/46/40/813154640.db2.gz LSXFJKNNUUWHSY-MELADBBJSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001268934842 813154644 /nfs/dbraw/zinc/15/46/44/813154644.db2.gz LSXFJKNNUUWHSY-MELADBBJSA-N 1 2 276.380 0.967 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001269056240 813195767 /nfs/dbraw/zinc/19/57/67/813195767.db2.gz AXRJELPCFURMKQ-ZDUSSCGKSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001269056240 813195769 /nfs/dbraw/zinc/19/57/69/813195769.db2.gz AXRJELPCFURMKQ-ZDUSSCGKSA-N 1 2 293.411 0.915 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001269210762 813268930 /nfs/dbraw/zinc/26/89/30/813268930.db2.gz NNLXFWNHCCNDFL-CQSZACIVSA-N 1 2 291.351 0.366 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001269210762 813268936 /nfs/dbraw/zinc/26/89/36/813268936.db2.gz NNLXFWNHCCNDFL-CQSZACIVSA-N 1 2 291.351 0.366 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001269224539 813274077 /nfs/dbraw/zinc/27/40/77/813274077.db2.gz WREBHZVSXDIHPR-DOMZBBRYSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001269224539 813274084 /nfs/dbraw/zinc/27/40/84/813274084.db2.gz WREBHZVSXDIHPR-DOMZBBRYSA-N 1 2 292.383 0.438 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001269223184 813275457 /nfs/dbraw/zinc/27/54/57/813275457.db2.gz MCOWWIVTGKLMHK-HOCLYGCPSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001269223184 813275462 /nfs/dbraw/zinc/27/54/62/813275462.db2.gz MCOWWIVTGKLMHK-HOCLYGCPSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001269247181 813289298 /nfs/dbraw/zinc/28/92/98/813289298.db2.gz HFIGYCLWVXBJSP-NSHDSACASA-N 1 2 263.297 0.186 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001269247181 813289301 /nfs/dbraw/zinc/28/93/01/813289301.db2.gz HFIGYCLWVXBJSP-NSHDSACASA-N 1 2 263.297 0.186 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001269267487 813299127 /nfs/dbraw/zinc/29/91/27/813299127.db2.gz YYTHMLXRIMPEAL-STQMWFEESA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001269267487 813299130 /nfs/dbraw/zinc/29/91/30/813299130.db2.gz YYTHMLXRIMPEAL-STQMWFEESA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001269464965 813380418 /nfs/dbraw/zinc/38/04/18/813380418.db2.gz RHTCTPDFSPJYTA-UHFFFAOYSA-N 1 2 292.387 0.551 20 30 CCEDLO C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#C ZINC001269663619 813463449 /nfs/dbraw/zinc/46/34/49/813463449.db2.gz DTVYDWJXELJNDM-GASCZTMLSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#C ZINC001269663619 813463453 /nfs/dbraw/zinc/46/34/53/813463453.db2.gz DTVYDWJXELJNDM-GASCZTMLSA-N 1 2 274.364 0.725 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001269763594 813497157 /nfs/dbraw/zinc/49/71/57/813497157.db2.gz BJORPDOAKIPDBK-NSHDSACASA-N 1 2 265.357 0.858 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(CC#N)C1 ZINC001028813331 813539720 /nfs/dbraw/zinc/53/97/20/813539720.db2.gz ANFXOMQQMASYIV-YNEHKIRRSA-N 1 2 287.367 0.485 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075740777 813683513 /nfs/dbraw/zinc/68/35/13/813683513.db2.gz GMGAUYHIOYWBKG-NWDGAFQWSA-N 1 2 273.340 0.399 20 30 CCEDLO COC[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001270521067 813795391 /nfs/dbraw/zinc/79/53/91/813795391.db2.gz VNWCTNQDESDHEI-KBPBESRZSA-N 1 2 294.399 0.011 20 30 CCEDLO C[C@@]1(NC(=O)c2ccoc2)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270537884 813803260 /nfs/dbraw/zinc/80/32/60/813803260.db2.gz LIQKBCWVEQKNHA-CQSZACIVSA-N 1 2 290.323 0.114 20 30 CCEDLO C[C@@]1(NC(=O)c2ccoc2)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270537884 813803269 /nfs/dbraw/zinc/80/32/69/813803269.db2.gz LIQKBCWVEQKNHA-CQSZACIVSA-N 1 2 290.323 0.114 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001270638176 813862532 /nfs/dbraw/zinc/86/25/32/813862532.db2.gz JVHOSGZLPJOCMY-HOCLYGCPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001270638176 813862543 /nfs/dbraw/zinc/86/25/43/813862543.db2.gz JVHOSGZLPJOCMY-HOCLYGCPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2)C1 ZINC001270638414 813864913 /nfs/dbraw/zinc/86/49/13/813864913.db2.gz MDBDIMDJDVEZIP-AWEZNQCLSA-N 1 2 275.352 0.627 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cccnc2)C1 ZINC001270638414 813864924 /nfs/dbraw/zinc/86/49/24/813864924.db2.gz MDBDIMDJDVEZIP-AWEZNQCLSA-N 1 2 275.352 0.627 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1CC ZINC001087712574 814195553 /nfs/dbraw/zinc/19/55/53/814195553.db2.gz PGEVXZOQRQNGFU-WCQYABFASA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1CC ZINC001087712574 814195555 /nfs/dbraw/zinc/19/55/55/814195555.db2.gz PGEVXZOQRQNGFU-WCQYABFASA-N 1 2 290.367 0.732 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029509697 814344327 /nfs/dbraw/zinc/34/43/27/814344327.db2.gz DCYFEDRKPNPYGJ-BNOWGMLFSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029509697 814344335 /nfs/dbraw/zinc/34/43/35/814344335.db2.gz DCYFEDRKPNPYGJ-BNOWGMLFSA-N 1 2 287.367 0.787 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001280402043 814456476 /nfs/dbraw/zinc/45/64/76/814456476.db2.gz DDQMWHCHCMSRKK-ZDUSSCGKSA-N 1 2 270.348 0.967 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001280402043 814456480 /nfs/dbraw/zinc/45/64/80/814456480.db2.gz DDQMWHCHCMSRKK-ZDUSSCGKSA-N 1 2 270.348 0.967 20 30 CCEDLO CCOCCC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC(C)C ZINC001280406840 814479323 /nfs/dbraw/zinc/47/93/23/814479323.db2.gz XRMOMNBGVOCFQR-OAHLLOKOSA-N 1 2 296.411 0.889 20 30 CCEDLO CCOCCC[N@H+]1CCOC[C@H]1CNC(=O)C#CC(C)C ZINC001280406840 814479328 /nfs/dbraw/zinc/47/93/28/814479328.db2.gz XRMOMNBGVOCFQR-OAHLLOKOSA-N 1 2 296.411 0.889 20 30 CCEDLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001271721378 814529690 /nfs/dbraw/zinc/52/96/90/814529690.db2.gz NFDUCFWPGZARGI-KBPBESRZSA-N 1 2 289.383 0.871 20 30 CCEDLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001029676424 814534931 /nfs/dbraw/zinc/53/49/31/814534931.db2.gz AQCQVUNAKODUDS-JQWIXIFHSA-N 1 2 290.371 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 ZINC001029676424 814534938 /nfs/dbraw/zinc/53/49/38/814534938.db2.gz AQCQVUNAKODUDS-JQWIXIFHSA-N 1 2 290.371 0.553 20 30 CCEDLO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)[nH]1 ZINC001029676426 814535248 /nfs/dbraw/zinc/53/52/48/814535248.db2.gz AQCQVUNAKODUDS-ZYHUDNBSSA-N 1 2 290.371 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)[nH]1 ZINC001029676426 814535254 /nfs/dbraw/zinc/53/52/54/814535254.db2.gz AQCQVUNAKODUDS-ZYHUDNBSSA-N 1 2 290.371 0.553 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H]1C ZINC001088461130 814714168 /nfs/dbraw/zinc/71/41/68/814714168.db2.gz SFJNXNPTYHEOAS-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H]1C ZINC001088461130 814714175 /nfs/dbraw/zinc/71/41/75/814714175.db2.gz SFJNXNPTYHEOAS-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1cccc2nn[nH]c21 ZINC001272020834 814736896 /nfs/dbraw/zinc/73/68/96/814736896.db2.gz QSLBPZZITAGHLN-UHFFFAOYSA-N 1 2 271.324 0.595 20 30 CCEDLO C#CC[N@H+](C)CCN(C)C(=O)c1cccc2nn[nH]c21 ZINC001272020834 814736899 /nfs/dbraw/zinc/73/68/99/814736899.db2.gz QSLBPZZITAGHLN-UHFFFAOYSA-N 1 2 271.324 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001272055269 814887698 /nfs/dbraw/zinc/88/76/98/814887698.db2.gz KSUUTXWGZMBKBY-UHFFFAOYSA-N 1 2 257.725 0.561 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001272055269 814887702 /nfs/dbraw/zinc/88/77/02/814887702.db2.gz KSUUTXWGZMBKBY-UHFFFAOYSA-N 1 2 257.725 0.561 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059844819 814895457 /nfs/dbraw/zinc/89/54/57/814895457.db2.gz CGUDXQBGBJYACT-TXEJJXNPSA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001059848109 814895973 /nfs/dbraw/zinc/89/59/73/814895973.db2.gz YBCWXASLPASDQJ-PHIMTYICSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001127039974 815589717 /nfs/dbraw/zinc/58/97/17/815589717.db2.gz VWPCGQKJSLRIMM-LLVKDONJSA-N 1 2 291.351 0.796 20 30 CCEDLO N#Cc1cc(C(=O)NC2C[NH+](CCCF)C2)c[nH]1 ZINC001030234589 815916128 /nfs/dbraw/zinc/91/61/28/815916128.db2.gz ALVUJPHTDMFRHF-UHFFFAOYSA-N 1 2 250.277 0.660 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(OC)no2)C1 ZINC001030237295 815918450 /nfs/dbraw/zinc/91/84/50/815918450.db2.gz ZQIVLGJSIYGXSS-UHFFFAOYSA-N 1 2 251.286 0.673 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001030311481 815970599 /nfs/dbraw/zinc/97/05/99/815970599.db2.gz RYOGZXRRCOEYFP-UHFFFAOYSA-N 1 2 288.351 0.701 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030331529 815978273 /nfs/dbraw/zinc/97/82/73/815978273.db2.gz IEDDWZRELPHFPE-UHTWSYAYSA-N 1 2 268.357 0.149 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001030380874 816003819 /nfs/dbraw/zinc/00/38/19/816003819.db2.gz VORXMVIZLWTCNC-UHFFFAOYSA-N 1 2 271.324 0.948 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001030466967 816051310 /nfs/dbraw/zinc/05/13/10/816051310.db2.gz AAVLMNBEPMBMAC-UHFFFAOYSA-N 1 2 262.357 0.891 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001106061680 816141295 /nfs/dbraw/zinc/14/12/95/816141295.db2.gz JEQYYOPTADBKIR-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001030613790 816147486 /nfs/dbraw/zinc/14/74/86/816147486.db2.gz OOCCEXCSHHXVOQ-UHFFFAOYSA-N 1 2 271.324 0.900 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001030686392 816217690 /nfs/dbraw/zinc/21/76/90/816217690.db2.gz ZNYORASXQMSRGM-UHFFFAOYSA-N 1 2 285.303 0.971 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001030725027 816252152 /nfs/dbraw/zinc/25/21/52/816252152.db2.gz MQFRPVSWBZCWLD-VXGBXAGGSA-N 1 2 279.384 0.668 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001030750249 816264505 /nfs/dbraw/zinc/26/45/05/816264505.db2.gz ZROUWBHHCHBEMK-LLVKDONJSA-N 1 2 290.367 0.904 20 30 CCEDLO CC[C@H](OC)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046010955 816281568 /nfs/dbraw/zinc/28/15/68/816281568.db2.gz XONFYTZWTPMVCB-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO C#CCN1CC2(C[NH+](CCCSC)C2)OCC1=O ZINC001272459005 816448561 /nfs/dbraw/zinc/44/85/61/816448561.db2.gz GCJJWNDPSFQWQW-UHFFFAOYSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CCN1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030933654 816461189 /nfs/dbraw/zinc/46/11/89/816461189.db2.gz NJWVLXIOYOWSFB-NSHDSACASA-N 1 2 258.325 0.263 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2ccnc(OC)c2)C1 ZINC001030962235 816509962 /nfs/dbraw/zinc/50/99/62/816509962.db2.gz RONCQHTZAUADHP-UHFFFAOYSA-N 1 2 261.325 0.619 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001030985125 816535285 /nfs/dbraw/zinc/53/52/85/816535285.db2.gz WHUHTTQSPOWXTO-NSHDSACASA-N 1 2 290.371 0.002 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC001272538810 816561240 /nfs/dbraw/zinc/56/12/40/816561240.db2.gz UCNQCRLQZMWWOL-OAHLLOKOSA-N 1 2 288.351 0.094 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC001272538810 816561245 /nfs/dbraw/zinc/56/12/45/816561245.db2.gz UCNQCRLQZMWWOL-OAHLLOKOSA-N 1 2 288.351 0.094 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](O)C1 ZINC001083718815 816635116 /nfs/dbraw/zinc/63/51/16/816635116.db2.gz BCTSCTFDUYFBJM-CABCVRRESA-N 1 2 299.374 0.298 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](O)C1 ZINC001083718815 816635121 /nfs/dbraw/zinc/63/51/21/816635121.db2.gz BCTSCTFDUYFBJM-CABCVRRESA-N 1 2 299.374 0.298 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046568359 816638148 /nfs/dbraw/zinc/63/81/48/816638148.db2.gz QLIKTJOKLKBPLB-HOCLYGCPSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046568359 816638152 /nfs/dbraw/zinc/63/81/52/816638152.db2.gz QLIKTJOKLKBPLB-HOCLYGCPSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncoc2-c2ccon2)C1 ZINC001031267116 816915588 /nfs/dbraw/zinc/91/55/88/816915588.db2.gz RPEUBFSABBTQAG-UHFFFAOYSA-N 1 2 286.291 0.767 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001031272768 816921017 /nfs/dbraw/zinc/92/10/17/816921017.db2.gz YRGTXZAEFIAUHD-UHFFFAOYSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](O)C1 ZINC001083740522 816937724 /nfs/dbraw/zinc/93/77/24/816937724.db2.gz FYUSAIILDCVONG-ZNMIVQPWSA-N 1 2 270.332 0.121 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](O)C1 ZINC001083740522 816937728 /nfs/dbraw/zinc/93/77/28/816937728.db2.gz FYUSAIILDCVONG-ZNMIVQPWSA-N 1 2 270.332 0.121 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncnc2CC)C1 ZINC001031398235 817032323 /nfs/dbraw/zinc/03/23/23/817032323.db2.gz DTKVBCRSPDNONW-UHFFFAOYSA-N 1 2 258.325 0.476 20 30 CCEDLO C=CCn1cccc1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031733044 817297692 /nfs/dbraw/zinc/29/76/92/817297692.db2.gz KBMXLJMRWHPLMO-LLVKDONJSA-N 1 2 290.367 0.210 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)c2[nH]ncc2F)C1 ZINC001031954533 817491141 /nfs/dbraw/zinc/49/11/41/817491141.db2.gz DHPTZCCYPAXPSM-UHFFFAOYSA-N 1 2 252.293 0.787 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001083778955 817578867 /nfs/dbraw/zinc/57/88/67/817578867.db2.gz DWCXDJRGLDTCOS-KGLIPLIRSA-N 1 2 287.363 0.690 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001083778955 817578872 /nfs/dbraw/zinc/57/88/72/817578872.db2.gz DWCXDJRGLDTCOS-KGLIPLIRSA-N 1 2 287.363 0.690 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001032160495 817670113 /nfs/dbraw/zinc/67/01/13/817670113.db2.gz WOSNYDZBVISMNE-LBPRGKRZSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001125252858 817744766 /nfs/dbraw/zinc/74/47/66/817744766.db2.gz QCFGMZMDYRTPSI-UHFFFAOYSA-N 1 2 284.385 0.727 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)C)nn2)C1 ZINC001107232195 817813544 /nfs/dbraw/zinc/81/35/44/817813544.db2.gz VZYDVHGPVZOMSY-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CCOCCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107345357 817839722 /nfs/dbraw/zinc/83/97/22/817839722.db2.gz ZOGKTKLUBSKBAY-PLNGDYQASA-N 1 2 288.351 0.909 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001077602698 817863930 /nfs/dbraw/zinc/86/39/30/817863930.db2.gz JMNANNSHZSNDMU-VXGBXAGGSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001077602698 817863941 /nfs/dbraw/zinc/86/39/41/817863941.db2.gz JMNANNSHZSNDMU-VXGBXAGGSA-N 1 2 298.264 0.512 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707146 817954043 /nfs/dbraw/zinc/95/40/43/817954043.db2.gz IGXZGPKJKDIRKK-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2)C1 ZINC001107729808 817971915 /nfs/dbraw/zinc/97/19/15/817971915.db2.gz QAOPFUKBUWPJEN-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2)C1 ZINC001107729808 817971921 /nfs/dbraw/zinc/97/19/21/817971921.db2.gz QAOPFUKBUWPJEN-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734263 817973472 /nfs/dbraw/zinc/97/34/72/817973472.db2.gz ZRWUMEQMUWCGJD-HNNXBMFYSA-N 1 2 275.352 0.859 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734263 817973475 /nfs/dbraw/zinc/97/34/75/817973475.db2.gz ZRWUMEQMUWCGJD-HNNXBMFYSA-N 1 2 275.352 0.859 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnns2)C1 ZINC001107771305 817996738 /nfs/dbraw/zinc/99/67/38/817996738.db2.gz LDFYUTKFAFPHEK-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnns2)C1 ZINC001107771305 817996733 /nfs/dbraw/zinc/99/67/33/817996733.db2.gz LDFYUTKFAFPHEK-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107781909 818001791 /nfs/dbraw/zinc/00/17/91/818001791.db2.gz LCTWHAJJBLBWMN-TZMCWYRMSA-N 1 2 268.357 0.252 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OC)C1 ZINC001107781909 818001805 /nfs/dbraw/zinc/00/18/05/818001805.db2.gz LCTWHAJJBLBWMN-TZMCWYRMSA-N 1 2 268.357 0.252 20 30 CCEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)COCC)c2C1 ZINC001128172339 818090695 /nfs/dbraw/zinc/09/06/95/818090695.db2.gz REOTWLBFRLNLPW-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)COCC)c2C1 ZINC001128172339 818090703 /nfs/dbraw/zinc/09/07/03/818090703.db2.gz REOTWLBFRLNLPW-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038551425 818183804 /nfs/dbraw/zinc/18/38/04/818183804.db2.gz MVUUWXIDBIJLSA-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038551425 818183806 /nfs/dbraw/zinc/18/38/06/818183806.db2.gz MVUUWXIDBIJLSA-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001117288369 818243180 /nfs/dbraw/zinc/24/31/80/818243180.db2.gz LKDNGDCBGWRMFG-BFHYXJOUSA-N 1 2 297.399 0.692 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001033038291 818450498 /nfs/dbraw/zinc/45/04/98/818450498.db2.gz PTYJQDKWHUCONX-CYBMUJFWSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001033038291 818450504 /nfs/dbraw/zinc/45/05/04/818450504.db2.gz PTYJQDKWHUCONX-CYBMUJFWSA-N 1 2 299.802 0.750 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001044397015 818457272 /nfs/dbraw/zinc/45/72/72/818457272.db2.gz KPKNBQISRGTLDD-NSHDSACASA-N 1 2 262.357 0.852 20 30 CCEDLO C=C[C@H](COC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001117654032 818586800 /nfs/dbraw/zinc/58/68/00/818586800.db2.gz SDFRQVWVNHFAJF-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1cnon1)OCC ZINC001128540465 818614288 /nfs/dbraw/zinc/61/42/88/818614288.db2.gz WKIALLROARAZOY-LBPRGKRZSA-N 1 2 282.344 0.647 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090123183 818667286 /nfs/dbraw/zinc/66/72/86/818667286.db2.gz MMAAJXSCTJELKC-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 ZINC001090123183 818667291 /nfs/dbraw/zinc/66/72/91/818667291.db2.gz MMAAJXSCTJELKC-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc(OC)n2)C1 ZINC001108099338 818686327 /nfs/dbraw/zinc/68/63/27/818686327.db2.gz JSBRHWRBVLXASP-AWEZNQCLSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc(OC)n2)C1 ZINC001108099338 818686332 /nfs/dbraw/zinc/68/63/32/818686332.db2.gz JSBRHWRBVLXASP-AWEZNQCLSA-N 1 2 295.339 0.690 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001117786172 818701011 /nfs/dbraw/zinc/70/10/11/818701011.db2.gz JMHXXPKLHGFHAL-WDEREUQCSA-N 1 2 260.297 0.196 20 30 CCEDLO C#CCN1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108106949 818719146 /nfs/dbraw/zinc/71/91/46/818719146.db2.gz LVWODGNNYALJSL-HNNXBMFYSA-N 1 2 290.367 0.114 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128602734 818731076 /nfs/dbraw/zinc/73/10/76/818731076.db2.gz VTVVYSZOIXHAND-GFCCVEGCSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128602734 818731080 /nfs/dbraw/zinc/73/10/80/818731080.db2.gz VTVVYSZOIXHAND-GFCCVEGCSA-N 1 2 292.383 0.926 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnns2)C1 ZINC001033760282 818917992 /nfs/dbraw/zinc/91/79/92/818917992.db2.gz KCCLIQXOKPXDNI-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnns2)C1 ZINC001033760282 818917997 /nfs/dbraw/zinc/91/79/97/818917997.db2.gz KCCLIQXOKPXDNI-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ncccc2O)C1 ZINC001033803154 818948762 /nfs/dbraw/zinc/94/87/62/818948762.db2.gz FFJGUFAPJGCOKR-LBPRGKRZSA-N 1 2 273.336 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccc2O)C1 ZINC001033803154 818948766 /nfs/dbraw/zinc/94/87/66/818948766.db2.gz FFJGUFAPJGCOKR-LBPRGKRZSA-N 1 2 273.336 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)noc2C)[C@@H](O)C1 ZINC001083859105 819005205 /nfs/dbraw/zinc/00/52/05/819005205.db2.gz GNZCXFCDBYIRDT-WQAKAFBOSA-N 1 2 291.351 0.189 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)noc2C)[C@@H](O)C1 ZINC001083859105 819005211 /nfs/dbraw/zinc/00/52/11/819005211.db2.gz GNZCXFCDBYIRDT-WQAKAFBOSA-N 1 2 291.351 0.189 20 30 CCEDLO N#CCN1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547341 819241723 /nfs/dbraw/zinc/24/17/23/819241723.db2.gz PPLYRNHIFQQNAH-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108135926 819279662 /nfs/dbraw/zinc/27/96/62/819279662.db2.gz IPGXCUZBIAEHJJ-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250326 819310262 /nfs/dbraw/zinc/31/02/62/819310262.db2.gz YXLYSDKLDDFXSQ-VHSXEESVSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC001090250326 819310269 /nfs/dbraw/zinc/31/02/69/819310269.db2.gz YXLYSDKLDDFXSQ-VHSXEESVSA-N 1 2 284.747 0.327 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](NCC#N)CC1 ZINC001034786957 819328646 /nfs/dbraw/zinc/32/86/46/819328646.db2.gz UNGXLZBUAGEUPA-HAQNSBGRSA-N 1 2 275.356 0.801 20 30 CCEDLO C[N@@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])[C@H](CO)C1 ZINC000703870287 819335371 /nfs/dbraw/zinc/33/53/71/819335371.db2.gz RCEQAALWVHDKPC-QMMMGPOBSA-N 1 2 282.325 0.641 20 30 CCEDLO C[N@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])[C@H](CO)C1 ZINC000703870287 819335377 /nfs/dbraw/zinc/33/53/77/819335377.db2.gz RCEQAALWVHDKPC-QMMMGPOBSA-N 1 2 282.325 0.641 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nncs2)CCC1 ZINC001129124623 819419782 /nfs/dbraw/zinc/41/97/82/819419782.db2.gz ASYMVONQKZJJCC-UHFFFAOYSA-N 1 2 278.381 0.938 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035304947 819456684 /nfs/dbraw/zinc/45/66/84/819456684.db2.gz GSXVNZXIGDBRIS-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035304947 819456692 /nfs/dbraw/zinc/45/66/92/819456692.db2.gz GSXVNZXIGDBRIS-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035308949 819459403 /nfs/dbraw/zinc/45/94/03/819459403.db2.gz HGELPLLFIMPLOS-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035308949 819459408 /nfs/dbraw/zinc/45/94/08/819459408.db2.gz HGELPLLFIMPLOS-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035331032 819475350 /nfs/dbraw/zinc/47/53/50/819475350.db2.gz FFAZGKRMTJXCFO-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035331032 819475352 /nfs/dbraw/zinc/47/53/52/819475352.db2.gz FFAZGKRMTJXCFO-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001035346407 819485730 /nfs/dbraw/zinc/48/57/30/819485730.db2.gz GXDRFLGVUVKKBF-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2)C1 ZINC001035346407 819485735 /nfs/dbraw/zinc/48/57/35/819485735.db2.gz GXDRFLGVUVKKBF-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001035357520 819496966 /nfs/dbraw/zinc/49/69/66/819496966.db2.gz DIGULNRNCXQTAG-VWYCJHECSA-N 1 2 274.311 0.891 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001035357520 819496967 /nfs/dbraw/zinc/49/69/67/819496967.db2.gz DIGULNRNCXQTAG-VWYCJHECSA-N 1 2 274.311 0.891 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)cc1 ZINC001035472195 819529260 /nfs/dbraw/zinc/52/92/60/819529260.db2.gz YYUGKUMTSYGVLD-HNNXBMFYSA-N 1 2 288.347 0.091 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)cc1 ZINC001035472195 819529263 /nfs/dbraw/zinc/52/92/63/819529263.db2.gz YYUGKUMTSYGVLD-HNNXBMFYSA-N 1 2 288.347 0.091 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csnn2)C1 ZINC001035459549 819534863 /nfs/dbraw/zinc/53/48/63/819534863.db2.gz CPHJIKPOTHFBGW-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csnn2)C1 ZINC001035459549 819534868 /nfs/dbraw/zinc/53/48/68/819534868.db2.gz CPHJIKPOTHFBGW-JTQLQIEISA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2C)C1 ZINC001035499028 819541121 /nfs/dbraw/zinc/54/11/21/819541121.db2.gz ITVUPLDCZBEEGY-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2C)C1 ZINC001035499028 819541125 /nfs/dbraw/zinc/54/11/25/819541125.db2.gz ITVUPLDCZBEEGY-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001035494181 819547930 /nfs/dbraw/zinc/54/79/30/819547930.db2.gz WBGDGGGFTCMUPF-CQSZACIVSA-N 1 2 282.384 0.542 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001035494181 819547932 /nfs/dbraw/zinc/54/79/32/819547932.db2.gz WBGDGGGFTCMUPF-CQSZACIVSA-N 1 2 282.384 0.542 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001035530517 819556988 /nfs/dbraw/zinc/55/69/88/819556988.db2.gz OFMWRPRMMQONIF-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001035530517 819556995 /nfs/dbraw/zinc/55/69/95/819556995.db2.gz OFMWRPRMMQONIF-CYBMUJFWSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035532866 819557372 /nfs/dbraw/zinc/55/73/72/819557372.db2.gz JPTULVYLMUMQBY-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035532866 819557377 /nfs/dbraw/zinc/55/73/77/819557377.db2.gz JPTULVYLMUMQBY-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035548740 819561591 /nfs/dbraw/zinc/56/15/91/819561591.db2.gz ZHMQFVAMNWLBJK-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035548740 819561597 /nfs/dbraw/zinc/56/15/97/819561597.db2.gz ZHMQFVAMNWLBJK-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NCC#N ZINC001036002718 819664979 /nfs/dbraw/zinc/66/49/79/819664979.db2.gz BYXMCXJOGSHGGJ-VXGBXAGGSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064207601 820187012 /nfs/dbraw/zinc/18/70/12/820187012.db2.gz QJPPZVRFTJAODF-SNVBAGLBSA-N 1 2 289.339 0.267 20 30 CCEDLO C[NH+]=C(NCc1nnc([C@@H]2CCCO2)[nH]1)NC1CC1 ZINC001118351098 820393820 /nfs/dbraw/zinc/39/38/20/820393820.db2.gz WADUSLMERAKTJG-VIFPVBQESA-N 1 2 264.333 0.484 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001080416253 820571661 /nfs/dbraw/zinc/57/16/61/820571661.db2.gz LFAAWRGANDXRHT-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H](OC)C1 ZINC001081458368 820766671 /nfs/dbraw/zinc/76/66/71/820766671.db2.gz JPRYFUFMORVZMY-CHWSQXEVSA-N 1 2 290.367 0.479 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H](OC)C1 ZINC001081458368 820766675 /nfs/dbraw/zinc/76/66/75/820766675.db2.gz JPRYFUFMORVZMY-CHWSQXEVSA-N 1 2 290.367 0.479 20 30 CCEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394975 820956598 /nfs/dbraw/zinc/95/65/98/820956598.db2.gz PDRRAIMUBYWPIA-VXGBXAGGSA-N 1 2 298.774 0.451 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3=COCCC3)[C@H]2C1 ZINC001083019657 821111343 /nfs/dbraw/zinc/11/13/43/821111343.db2.gz SXADKRRKHYWAJN-UONOGXRCSA-N 1 2 276.336 0.226 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3=COCCC3)[C@H]2C1 ZINC001083019657 821111351 /nfs/dbraw/zinc/11/13/51/821111351.db2.gz SXADKRRKHYWAJN-UONOGXRCSA-N 1 2 276.336 0.226 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@H]2C1 ZINC001083101244 821139556 /nfs/dbraw/zinc/13/95/56/821139556.db2.gz WQRQKFDDNPAUCJ-FRRDWIJNSA-N 1 2 298.333 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@H]2C1 ZINC001083101244 821139562 /nfs/dbraw/zinc/13/95/62/821139562.db2.gz WQRQKFDDNPAUCJ-FRRDWIJNSA-N 1 2 298.333 0.967 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001083146468 821146723 /nfs/dbraw/zinc/14/67/23/821146723.db2.gz LIRXPPHCJUEJHS-UONOGXRCSA-N 1 2 291.326 0.702 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001083146468 821146730 /nfs/dbraw/zinc/14/67/30/821146730.db2.gz LIRXPPHCJUEJHS-UONOGXRCSA-N 1 2 291.326 0.702 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](O)C1 ZINC001084036461 821181412 /nfs/dbraw/zinc/18/14/12/821181412.db2.gz GQEZDRKHLMRXJS-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](O)C1 ZINC001084036461 821181417 /nfs/dbraw/zinc/18/14/17/821181417.db2.gz GQEZDRKHLMRXJS-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084369243 821281611 /nfs/dbraw/zinc/28/16/11/821281611.db2.gz DSNQMMZWSWPUCD-DGCLKSJQSA-N 1 2 298.408 0.140 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084369243 821281618 /nfs/dbraw/zinc/28/16/18/821281618.db2.gz DSNQMMZWSWPUCD-DGCLKSJQSA-N 1 2 298.408 0.140 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C1 ZINC001084755048 821375501 /nfs/dbraw/zinc/37/55/01/821375501.db2.gz WGFNFYFDFYBINB-TZMCWYRMSA-N 1 2 285.347 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)[C@@H]2C1 ZINC001084755048 821375511 /nfs/dbraw/zinc/37/55/11/821375511.db2.gz WGFNFYFDFYBINB-TZMCWYRMSA-N 1 2 285.347 0.463 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230818983 821452642 /nfs/dbraw/zinc/45/26/42/821452642.db2.gz JNTRMLRGPZXRPS-QWRGUYRKSA-N 1 2 298.412 0.040 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230818983 821452647 /nfs/dbraw/zinc/45/26/47/821452647.db2.gz JNTRMLRGPZXRPS-QWRGUYRKSA-N 1 2 298.412 0.040 20 30 CCEDLO N#Cc1cccc(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC000826789952 821672002 /nfs/dbraw/zinc/67/20/02/821672002.db2.gz WRTMAYMNYJXRHK-OAHLLOKOSA-N 1 2 295.346 0.997 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085521441 821765409 /nfs/dbraw/zinc/76/54/09/821765409.db2.gz OEOILGPYDMFJEE-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085521441 821765405 /nfs/dbraw/zinc/76/54/05/821765405.db2.gz OEOILGPYDMFJEE-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1O ZINC001085561451 821788809 /nfs/dbraw/zinc/78/88/09/821788809.db2.gz LYHDDFOSLLMCLF-LBPRGKRZSA-N 1 2 273.336 0.957 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1O ZINC001085561451 821788810 /nfs/dbraw/zinc/78/88/10/821788810.db2.gz LYHDDFOSLLMCLF-LBPRGKRZSA-N 1 2 273.336 0.957 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085642096 821866737 /nfs/dbraw/zinc/86/67/37/821866737.db2.gz DQAUTTKCNCZNNH-NSHDSACASA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085642096 821866742 /nfs/dbraw/zinc/86/67/42/821866742.db2.gz DQAUTTKCNCZNNH-NSHDSACASA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085650210 821879313 /nfs/dbraw/zinc/87/93/13/821879313.db2.gz KKHXRFYTJGTHTM-RDBSUJKOSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085650210 821879326 /nfs/dbraw/zinc/87/93/26/821879326.db2.gz KKHXRFYTJGTHTM-RDBSUJKOSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673559 821892459 /nfs/dbraw/zinc/89/24/59/821892459.db2.gz ZVFJGPUPWIIZFJ-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673559 821892468 /nfs/dbraw/zinc/89/24/68/821892468.db2.gz ZVFJGPUPWIIZFJ-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712063 821916954 /nfs/dbraw/zinc/91/69/54/821916954.db2.gz ZKYDJFJUPNLJTI-LLVKDONJSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001085712063 821916960 /nfs/dbraw/zinc/91/69/60/821916960.db2.gz ZKYDJFJUPNLJTI-LLVKDONJSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085761080 821938906 /nfs/dbraw/zinc/93/89/06/821938906.db2.gz ZWKBGVMXJWXPLY-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085761080 821938912 /nfs/dbraw/zinc/93/89/12/821938912.db2.gz ZWKBGVMXJWXPLY-GFCCVEGCSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1CC(N)=O ZINC001085786139 821952068 /nfs/dbraw/zinc/95/20/68/821952068.db2.gz HSRCKOAVIUWTER-NSHDSACASA-N 1 2 289.335 0.087 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1CC(N)=O ZINC001085786139 821952075 /nfs/dbraw/zinc/95/20/75/821952075.db2.gz HSRCKOAVIUWTER-NSHDSACASA-N 1 2 289.335 0.087 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878887 821992547 /nfs/dbraw/zinc/99/25/47/821992547.db2.gz PVYAKMGWBYFWQN-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878887 821992554 /nfs/dbraw/zinc/99/25/54/821992554.db2.gz PVYAKMGWBYFWQN-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(CCOC)CC2)C1 ZINC001273374792 822024598 /nfs/dbraw/zinc/02/45/98/822024598.db2.gz MINCMVHTAFEKHK-OAHLLOKOSA-N 1 2 295.427 0.818 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085978476 822049956 /nfs/dbraw/zinc/04/99/56/822049956.db2.gz UDEJHZSJLRNYAV-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001085978476 822049964 /nfs/dbraw/zinc/04/99/64/822049964.db2.gz UDEJHZSJLRNYAV-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)cnc2C#N)C1 ZINC001155193777 822085711 /nfs/dbraw/zinc/08/57/11/822085711.db2.gz LDCSBBCPUIBIGK-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)cnc2C#N)C1 ZINC001155193777 822085717 /nfs/dbraw/zinc/08/57/17/822085717.db2.gz LDCSBBCPUIBIGK-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2nccc2C)C1 ZINC001108249403 822142212 /nfs/dbraw/zinc/14/22/12/822142212.db2.gz CMJFCLZIWPSVCD-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2nccc2C)C1 ZINC001108249403 822142214 /nfs/dbraw/zinc/14/22/14/822142214.db2.gz CMJFCLZIWPSVCD-OAHLLOKOSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108286716 822303073 /nfs/dbraw/zinc/30/30/73/822303073.db2.gz AQJLAIOUWKGERR-AWEZNQCLSA-N 1 2 293.371 0.592 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108286716 822303086 /nfs/dbraw/zinc/30/30/86/822303086.db2.gz AQJLAIOUWKGERR-AWEZNQCLSA-N 1 2 293.371 0.592 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108306545 822345132 /nfs/dbraw/zinc/34/51/32/822345132.db2.gz KZQRRIHYWOUZON-GJZGRUSLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108306545 822345141 /nfs/dbraw/zinc/34/51/41/822345141.db2.gz KZQRRIHYWOUZON-GJZGRUSLSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108307057 822345432 /nfs/dbraw/zinc/34/54/32/822345432.db2.gz UYKDKWZKDQKTBM-JKSUJKDBSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001108307057 822345442 /nfs/dbraw/zinc/34/54/42/822345442.db2.gz UYKDKWZKDQKTBM-JKSUJKDBSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114197426 837468628 /nfs/dbraw/zinc/46/86/28/837468628.db2.gz YQOICYLYOCXMEZ-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114197426 837468630 /nfs/dbraw/zinc/46/86/30/837468630.db2.gz YQOICYLYOCXMEZ-JYAVWHMHSA-N 1 2 288.351 0.728 20 30 CCEDLO CC(C)C[C@@H](C(=O)NCCNCC#N)n1cc[nH+]c1 ZINC001130001514 837606388 /nfs/dbraw/zinc/60/63/88/837606388.db2.gz RAKQORFEXVZBHP-LBPRGKRZSA-N 1 2 263.345 0.700 20 30 CCEDLO CN1CCN(C(=[NH2+])Nc2nccc(F)c2C#N)CC1 ZINC001157915292 837695426 /nfs/dbraw/zinc/69/54/26/837695426.db2.gz PQFNUNGEZKRWOJ-UHFFFAOYSA-N 1 2 262.292 0.686 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001168934430 836062613 /nfs/dbraw/zinc/06/26/13/836062613.db2.gz XFKWWWMXNKXYEO-JTQLQIEISA-N 1 2 275.312 0.104 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)ccc2CC#N)C[NH2+]1 ZINC001156249748 836116842 /nfs/dbraw/zinc/11/68/42/836116842.db2.gz QCXQKUMBRMABTR-RYUDHWBXSA-N 1 2 274.324 0.772 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCOC)CC2=O)C1 ZINC001108510578 836378086 /nfs/dbraw/zinc/37/80/86/836378086.db2.gz XPSVBHUPOQUBDQ-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(C)=O)C2)CC1 ZINC001169632516 836392030 /nfs/dbraw/zinc/39/20/30/836392030.db2.gz ZQXLKKJEWWUOGG-AWEZNQCLSA-N 1 2 295.383 0.938 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](F)CC)CC2=O)C1 ZINC001108563938 836452185 /nfs/dbraw/zinc/45/21/85/836452185.db2.gz XEMJOUHHMWRKGK-JQWIXIFHSA-N 1 2 283.347 0.322 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3(CF)CC3)CC2=O)C1 ZINC001108571597 836471171 /nfs/dbraw/zinc/47/11/71/836471171.db2.gz GHVXRQQFZXVBPC-NSHDSACASA-N 1 2 295.358 0.323 20 30 CCEDLO C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108763005 836520308 /nfs/dbraw/zinc/52/03/08/836520308.db2.gz MGCACBGVXGIYLC-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108763005 836520314 /nfs/dbraw/zinc/52/03/14/836520314.db2.gz MGCACBGVXGIYLC-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109046332 836603200 /nfs/dbraw/zinc/60/32/00/836603200.db2.gz OUOVNPGTDBYAPW-VWYCJHECSA-N 1 2 251.330 0.159 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109046332 836603204 /nfs/dbraw/zinc/60/32/04/836603204.db2.gz OUOVNPGTDBYAPW-VWYCJHECSA-N 1 2 251.330 0.159 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112629867 836832637 /nfs/dbraw/zinc/83/26/37/836832637.db2.gz DTCULSSOVSSXFF-UHFFFAOYSA-N 1 2 293.396 0.284 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112711415 836882798 /nfs/dbraw/zinc/88/27/98/836882798.db2.gz ZWSQVDVKOBAING-LBPRGKRZSA-N 1 2 251.330 0.493 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112710903 836883121 /nfs/dbraw/zinc/88/31/21/836883121.db2.gz LAWJHNLZYRJRLH-GFCCVEGCSA-N 1 2 265.357 0.717 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001112732471 836888348 /nfs/dbraw/zinc/88/83/48/836888348.db2.gz MYJLEXIABIKQOT-UHFFFAOYSA-N 1 2 292.383 0.987 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCC(=O)NC)CC1 ZINC001112780766 836908206 /nfs/dbraw/zinc/90/82/06/836908206.db2.gz SQBZTGFDDZGBRT-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnnc2C)CC1 ZINC001113071209 837015310 /nfs/dbraw/zinc/01/53/10/837015310.db2.gz LGWTUEYQXNTHQE-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccnc(C#N)n1 ZINC001113313352 837085220 /nfs/dbraw/zinc/08/52/20/837085220.db2.gz HFTXAPRFENDXFV-VHSXEESVSA-N 1 2 299.338 0.041 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001113516321 837144657 /nfs/dbraw/zinc/14/46/57/837144657.db2.gz QYTCUMCDNVVBEA-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001113626316 837181612 /nfs/dbraw/zinc/18/16/12/837181612.db2.gz FYIZBTWYHCJZIU-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1 ZINC001113661397 837189622 /nfs/dbraw/zinc/18/96/22/837189622.db2.gz SDKBYLWPJJMKMU-JSGCOSHPSA-N 1 2 281.400 0.867 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccncc1C#N ZINC001113898412 837358975 /nfs/dbraw/zinc/35/89/75/837358975.db2.gz UAZXOSLDWMEOPS-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131736450 838197867 /nfs/dbraw/zinc/19/78/67/838197867.db2.gz YKEOAJDGMMQSHL-QWRGUYRKSA-N 1 2 274.311 0.870 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131736450 838197871 /nfs/dbraw/zinc/19/78/71/838197871.db2.gz YKEOAJDGMMQSHL-QWRGUYRKSA-N 1 2 274.311 0.870 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131742119 838200676 /nfs/dbraw/zinc/20/06/76/838200676.db2.gz APQHIPRQMZQDLQ-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131742119 838200682 /nfs/dbraw/zinc/20/06/82/838200682.db2.gz APQHIPRQMZQDLQ-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132568755 838437997 /nfs/dbraw/zinc/43/79/97/838437997.db2.gz DCDFOMRQXXHKFH-WDEREUQCSA-N 1 2 296.371 0.880 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001132653797 838459080 /nfs/dbraw/zinc/45/90/80/838459080.db2.gz SMVIQAPRCNWZFO-JTQLQIEISA-N 1 2 252.318 0.878 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C=O)CC1 ZINC001170633055 838487521 /nfs/dbraw/zinc/48/75/21/838487521.db2.gz SENLOHJZSHXAPZ-ZDUSSCGKSA-N 1 2 280.372 0.159 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C=O)CC1 ZINC001170633055 838487524 /nfs/dbraw/zinc/48/75/24/838487524.db2.gz SENLOHJZSHXAPZ-ZDUSSCGKSA-N 1 2 280.372 0.159 20 30 CCEDLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001133021502 838535898 /nfs/dbraw/zinc/53/58/98/838535898.db2.gz PCBXXNTYVQBJCG-KGLIPLIRSA-N 1 2 289.383 0.871 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 ZINC001133275104 838587769 /nfs/dbraw/zinc/58/77/69/838587769.db2.gz PGQLTSMKOJAWSF-AAEUAGOBSA-N 1 2 289.383 0.858 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 ZINC001133275105 838587893 /nfs/dbraw/zinc/58/78/93/838587893.db2.gz PGQLTSMKOJAWSF-DGCLKSJQSA-N 1 2 289.383 0.858 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nnc(CC)o2)c1 ZINC001133593096 838677388 /nfs/dbraw/zinc/67/73/88/838677388.db2.gz NWUPVQQBNALCBP-UHFFFAOYSA-N 1 2 299.334 0.528 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001134052951 838844597 /nfs/dbraw/zinc/84/45/97/838844597.db2.gz HLZFLZYBRDPHPX-MNOVXSKESA-N 1 2 294.355 0.429 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1CNCC#N ZINC001185379604 844406259 /nfs/dbraw/zinc/40/62/59/844406259.db2.gz DQRNARDVRJTRPG-RYUDHWBXSA-N 1 2 275.356 0.550 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC=C)C2 ZINC001110368450 844461167 /nfs/dbraw/zinc/46/11/67/844461167.db2.gz BYAIUAVFZSMKLG-MCIONIFRSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC=C)C2 ZINC001110368450 844461173 /nfs/dbraw/zinc/46/11/73/844461173.db2.gz BYAIUAVFZSMKLG-MCIONIFRSA-N 1 2 289.379 0.424 20 30 CCEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001090685573 839734628 /nfs/dbraw/zinc/73/46/28/839734628.db2.gz FVZTXITUGLQKKA-HOSYDEDBSA-N 1 2 273.340 0.886 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC001136863187 839789600 /nfs/dbraw/zinc/78/96/00/839789600.db2.gz RXNNRHBKNHZKSK-UHFFFAOYSA-N 1 2 259.309 0.608 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC001136863187 839789606 /nfs/dbraw/zinc/78/96/06/839789606.db2.gz RXNNRHBKNHZKSK-UHFFFAOYSA-N 1 2 259.309 0.608 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823311 839839716 /nfs/dbraw/zinc/83/97/16/839839716.db2.gz IZAWKSOMXQQRFH-CHWSQXEVSA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823311 839839724 /nfs/dbraw/zinc/83/97/24/839839724.db2.gz IZAWKSOMXQQRFH-CHWSQXEVSA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847505 839852257 /nfs/dbraw/zinc/85/22/57/839852257.db2.gz WXXLPCXCGBFPFJ-VXGBXAGGSA-N 1 2 298.774 0.187 20 30 CCEDLO Cc1[nH]c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC001186032775 844485438 /nfs/dbraw/zinc/48/54/38/844485438.db2.gz APEYLSDCVOREQY-SNVBAGLBSA-N 1 2 262.313 0.508 20 30 CCEDLO Cc1[nH]c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC001186032775 844485440 /nfs/dbraw/zinc/48/54/40/844485440.db2.gz APEYLSDCVOREQY-SNVBAGLBSA-N 1 2 262.313 0.508 20 30 CCEDLO COC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nnn(C)c21 ZINC001144074695 839928578 /nfs/dbraw/zinc/92/85/78/839928578.db2.gz AOTHPXBSRXMLPJ-CYBMUJFWSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nnn(C)c21 ZINC001144074695 839928584 /nfs/dbraw/zinc/92/85/84/839928584.db2.gz AOTHPXBSRXMLPJ-CYBMUJFWSA-N 1 2 298.350 0.828 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC001144166617 839971394 /nfs/dbraw/zinc/97/13/94/839971394.db2.gz NVRGSLMEFQJGBQ-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC001144166617 839971403 /nfs/dbraw/zinc/97/14/03/839971403.db2.gz NVRGSLMEFQJGBQ-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO N#CCNC1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001091140832 840064170 /nfs/dbraw/zinc/06/41/70/840064170.db2.gz RZFZKAGQINHPSQ-UHFFFAOYSA-N 1 2 283.335 0.956 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001144612896 840100963 /nfs/dbraw/zinc/10/09/63/840100963.db2.gz JLZGPBLRJJFVII-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001144612896 840100966 /nfs/dbraw/zinc/10/09/66/840100966.db2.gz JLZGPBLRJJFVII-RDBSUJKOSA-N 1 2 282.384 0.805 20 30 CCEDLO O=C(C=CC(=O)c1ccccc1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001144713932 840121823 /nfs/dbraw/zinc/12/18/23/840121823.db2.gz DRMLZOJQTBTWGL-PSKZRQQASA-N 1 2 299.330 0.868 20 30 CCEDLO O=C(C=CC(=O)c1ccccc1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001144713932 840121826 /nfs/dbraw/zinc/12/18/26/840121826.db2.gz DRMLZOJQTBTWGL-PSKZRQQASA-N 1 2 299.330 0.868 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)NC2=CC(=O)CCC2)C1 ZINC001186116291 844513780 /nfs/dbraw/zinc/51/37/80/844513780.db2.gz WMNKLJOQFROQHV-JTQLQIEISA-N 1 2 280.324 0.234 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2=CC(=O)CCC2)C1 ZINC001186116291 844513781 /nfs/dbraw/zinc/51/37/81/844513781.db2.gz WMNKLJOQFROQHV-JTQLQIEISA-N 1 2 280.324 0.234 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nccc(C)n2)cn1 ZINC001148383055 840799552 /nfs/dbraw/zinc/79/95/52/840799552.db2.gz PRADAGMRYFHROD-UHFFFAOYSA-N 1 2 295.346 0.681 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148583902 840852914 /nfs/dbraw/zinc/85/29/14/840852914.db2.gz GMYMFVPDNYTLRG-UHFFFAOYSA-N 1 2 278.308 0.747 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001148933747 840905582 /nfs/dbraw/zinc/90/55/82/840905582.db2.gz DAACFQBRTBGKBL-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001148933747 840905589 /nfs/dbraw/zinc/90/55/89/840905589.db2.gz DAACFQBRTBGKBL-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734109 841151412 /nfs/dbraw/zinc/15/14/12/841151412.db2.gz MVBAVWFGJUPYJL-OCCSQVGLSA-N 1 2 287.367 0.789 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036866072 841423183 /nfs/dbraw/zinc/42/31/83/841423183.db2.gz YLLUEWAIMZNXJI-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036866072 841423190 /nfs/dbraw/zinc/42/31/90/841423190.db2.gz YLLUEWAIMZNXJI-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001094220210 841559602 /nfs/dbraw/zinc/55/96/02/841559602.db2.gz LROCQEKJCFIJEX-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001094220210 841559608 /nfs/dbraw/zinc/55/96/08/841559608.db2.gz LROCQEKJCFIJEX-GHMZBOCLSA-N 1 2 297.322 0.403 20 30 CCEDLO C=CCOCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094335019 841608887 /nfs/dbraw/zinc/60/88/87/841608887.db2.gz BWFXQABMHAYNHQ-UHFFFAOYSA-N 1 2 264.329 0.906 20 30 CCEDLO N#Cc1cccnc1NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001094549748 841672259 /nfs/dbraw/zinc/67/22/59/841672259.db2.gz RFEOLKFXELKMJS-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC3CC3)CC2=O)C1 ZINC001094693911 841705151 /nfs/dbraw/zinc/70/51/51/841705151.db2.gz VIYRKOZCDCCNDO-LBPRGKRZSA-N 1 2 277.368 0.374 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CCCC3)CC2=O)C1 ZINC001094695122 841707575 /nfs/dbraw/zinc/70/75/75/841707575.db2.gz MCZUGIVOUVTTMH-ZDUSSCGKSA-N 1 2 291.395 0.764 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001094808362 841728880 /nfs/dbraw/zinc/72/88/80/841728880.db2.gz LLKBJRGVRAAVJD-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO COc1cc[nH+]cc1Nc1nc(C#N)c(C#N)nc1N ZINC001176118964 842330975 /nfs/dbraw/zinc/33/09/75/842330975.db2.gz RHWJGPPMXIIEKC-UHFFFAOYSA-N 1 2 267.252 0.949 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929091 842453105 /nfs/dbraw/zinc/45/31/05/842453105.db2.gz COYWBGPRKHSYEK-NWDGAFQWSA-N 1 2 283.397 0.565 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929091 842453109 /nfs/dbraw/zinc/45/31/09/842453109.db2.gz COYWBGPRKHSYEK-NWDGAFQWSA-N 1 2 283.397 0.565 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001176949657 842466619 /nfs/dbraw/zinc/46/66/19/842466619.db2.gz QRZZYWZAUDPYNP-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001176949657 842466625 /nfs/dbraw/zinc/46/66/25/842466625.db2.gz QRZZYWZAUDPYNP-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO N#Cc1ccnnc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178100753 842755088 /nfs/dbraw/zinc/75/50/88/842755088.db2.gz DRWZMTRSZULHKA-SNVBAGLBSA-N 1 2 268.280 0.746 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccccc3C#N)C[C@H]21 ZINC001181798486 843615953 /nfs/dbraw/zinc/61/59/53/843615953.db2.gz ISOHVZULAGYVII-CABCVRRESA-N 1 2 285.347 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3ccccc3C#N)C[C@H]21 ZINC001181798486 843615961 /nfs/dbraw/zinc/61/59/61/843615961.db2.gz ISOHVZULAGYVII-CABCVRRESA-N 1 2 285.347 0.642 20 30 CCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)n1nc(N)c(C#N)c1N ZINC001181993042 843666117 /nfs/dbraw/zinc/66/61/17/843666117.db2.gz LDHKVDQSIGRIGK-VIFPVBQESA-N 1 2 262.317 0.434 20 30 CCEDLO CC[N@H+]1CCCC[C@H]1C(=O)n1nc(N)c(C#N)c1N ZINC001181993042 843666125 /nfs/dbraw/zinc/66/61/25/843666125.db2.gz LDHKVDQSIGRIGK-VIFPVBQESA-N 1 2 262.317 0.434 20 30 CCEDLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394654 844734165 /nfs/dbraw/zinc/73/41/65/844734165.db2.gz IIASYYBOSPYJGY-LPWJVIDDSA-N 1 2 292.383 0.394 20 30 CCEDLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394654 844734167 /nfs/dbraw/zinc/73/41/67/844734167.db2.gz IIASYYBOSPYJGY-LPWJVIDDSA-N 1 2 292.383 0.394 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110432331 845530554 /nfs/dbraw/zinc/53/05/54/845530554.db2.gz WBDJJBLANBSEBZ-YQUHTDHPSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110432331 845530564 /nfs/dbraw/zinc/53/05/64/845530564.db2.gz WBDJJBLANBSEBZ-YQUHTDHPSA-N 1 2 289.379 0.424 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001191408097 845645254 /nfs/dbraw/zinc/64/52/54/845645254.db2.gz CYQVHSUIKLWAOG-PRYPJVTBSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001191408097 845645260 /nfs/dbraw/zinc/64/52/60/845645260.db2.gz CYQVHSUIKLWAOG-PRYPJVTBSA-N 1 2 292.379 0.154 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001191455841 845664161 /nfs/dbraw/zinc/66/41/61/845664161.db2.gz BQRUAVHPRHEFSH-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001191455841 845664168 /nfs/dbraw/zinc/66/41/68/845664168.db2.gz BQRUAVHPRHEFSH-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001191622039 845696291 /nfs/dbraw/zinc/69/62/91/845696291.db2.gz AHPPJZGHJVKDQR-ZIAGYGMSSA-N 1 2 275.352 0.709 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001191622039 845696295 /nfs/dbraw/zinc/69/62/95/845696295.db2.gz AHPPJZGHJVKDQR-ZIAGYGMSSA-N 1 2 275.352 0.709 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001191622328 845696714 /nfs/dbraw/zinc/69/67/14/845696714.db2.gz IGWLTHHYLIIPDL-ZIAGYGMSSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001191622328 845696722 /nfs/dbraw/zinc/69/67/22/845696722.db2.gz IGWLTHHYLIIPDL-ZIAGYGMSSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001191770714 845724522 /nfs/dbraw/zinc/72/45/22/845724522.db2.gz IGZZKTIRWQUBQQ-IJLUTSLNSA-N 1 2 274.336 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001191770714 845724531 /nfs/dbraw/zinc/72/45/31/845724531.db2.gz IGZZKTIRWQUBQQ-IJLUTSLNSA-N 1 2 274.336 0.098 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001191833118 845746503 /nfs/dbraw/zinc/74/65/03/845746503.db2.gz OSSNWPBLADEOJT-GODNBWANSA-N 1 2 294.395 0.400 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001191833118 845746509 /nfs/dbraw/zinc/74/65/09/845746509.db2.gz OSSNWPBLADEOJT-GODNBWANSA-N 1 2 294.395 0.400 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001192493384 845855368 /nfs/dbraw/zinc/85/53/68/845855368.db2.gz AJHRMIMHXHVONA-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001192493384 845855377 /nfs/dbraw/zinc/85/53/77/845855377.db2.gz AJHRMIMHXHVONA-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192524478 845861792 /nfs/dbraw/zinc/86/17/92/845861792.db2.gz JJGWPUBQVAGKBA-LWSHCTJVSA-N 1 2 270.760 0.704 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192524478 845861795 /nfs/dbraw/zinc/86/17/95/845861795.db2.gz JJGWPUBQVAGKBA-LWSHCTJVSA-N 1 2 270.760 0.704 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001193178129 845997714 /nfs/dbraw/zinc/99/77/14/845997714.db2.gz BQLVVRBHBCUZPG-YPMHNXCESA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001193178129 845997722 /nfs/dbraw/zinc/99/77/22/845997722.db2.gz BQLVVRBHBCUZPG-YPMHNXCESA-N 1 2 294.380 0.487 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC001193198145 846014534 /nfs/dbraw/zinc/01/45/34/846014534.db2.gz GNVUEJYRTLZVQH-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC001193198145 846014540 /nfs/dbraw/zinc/01/45/40/846014540.db2.gz GNVUEJYRTLZVQH-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193376609 846064446 /nfs/dbraw/zinc/06/44/46/846064446.db2.gz GYLQMZNTZCZDSF-GHMZBOCLSA-N 1 2 297.380 0.121 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193376609 846064448 /nfs/dbraw/zinc/06/44/48/846064448.db2.gz GYLQMZNTZCZDSF-GHMZBOCLSA-N 1 2 297.380 0.121 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001194144325 846224372 /nfs/dbraw/zinc/22/43/72/846224372.db2.gz GXCFXAYKTCHQEP-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001194144325 846224378 /nfs/dbraw/zinc/22/43/78/846224378.db2.gz GXCFXAYKTCHQEP-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(=O)OC)n[nH]2)CC1 ZINC001194287670 846264971 /nfs/dbraw/zinc/26/49/71/846264971.db2.gz UDGVCIXJEQGLDS-UHFFFAOYSA-N 1 2 278.312 0.140 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440331 846303197 /nfs/dbraw/zinc/30/31/97/846303197.db2.gz WUMOCOIODAFNME-ZDUSSCGKSA-N 1 2 275.356 0.720 20 30 CCEDLO CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001273689022 846435656 /nfs/dbraw/zinc/43/56/56/846435656.db2.gz ZVEYEIKKLCTBHV-NWDGAFQWSA-N 1 2 281.356 0.142 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001195601199 846582049 /nfs/dbraw/zinc/58/20/49/846582049.db2.gz FIYISWRNLVSVNM-GHMZBOCLSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001195601199 846582058 /nfs/dbraw/zinc/58/20/58/846582058.db2.gz FIYISWRNLVSVNM-GHMZBOCLSA-N 1 2 286.322 0.606 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785776 846623131 /nfs/dbraw/zinc/62/31/31/846623131.db2.gz UUCHWRQEHJZDBP-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785776 846623135 /nfs/dbraw/zinc/62/31/35/846623135.db2.gz UUCHWRQEHJZDBP-UHFFFAOYSA-N 1 2 279.384 0.316 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001273713498 846687121 /nfs/dbraw/zinc/68/71/21/846687121.db2.gz RSGJKLATZIOZRU-VXGBXAGGSA-N 1 2 282.384 0.539 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196783466 846798453 /nfs/dbraw/zinc/79/84/53/846798453.db2.gz ZLHOEVNNQBGMLO-STQMWFEESA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196783466 846798460 /nfs/dbraw/zinc/79/84/60/846798460.db2.gz ZLHOEVNNQBGMLO-STQMWFEESA-N 1 2 299.390 0.960 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196889314 846811565 /nfs/dbraw/zinc/81/15/65/846811565.db2.gz BHSFLKWFEVYNGN-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196889314 846811574 /nfs/dbraw/zinc/81/15/74/846811574.db2.gz BHSFLKWFEVYNGN-OLZOCXBDSA-N 1 2 281.400 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCOCC2)C1 ZINC001198199878 847064415 /nfs/dbraw/zinc/06/44/15/847064415.db2.gz ICISAYQHDOENAL-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCOCC2)C1 ZINC001198199878 847064419 /nfs/dbraw/zinc/06/44/19/847064419.db2.gz ICISAYQHDOENAL-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770643 847157488 /nfs/dbraw/zinc/15/74/88/847157488.db2.gz QTYFGBKZUDLHNV-AWEZNQCLSA-N 1 2 276.340 0.988 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770643 847157497 /nfs/dbraw/zinc/15/74/97/847157497.db2.gz QTYFGBKZUDLHNV-AWEZNQCLSA-N 1 2 276.340 0.988 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nncn1C ZINC001273825739 847609562 /nfs/dbraw/zinc/60/95/62/847609562.db2.gz LAORQQKPGGSGBD-VXGBXAGGSA-N 1 2 275.356 0.566 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nncn1C ZINC001273825739 847609569 /nfs/dbraw/zinc/60/95/69/847609569.db2.gz LAORQQKPGGSGBD-VXGBXAGGSA-N 1 2 275.356 0.566 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)o1 ZINC001200400414 847617283 /nfs/dbraw/zinc/61/72/83/847617283.db2.gz JOVOKBLYLJZARW-SEYXRHQNSA-N 1 2 276.296 0.599 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200556089 847651498 /nfs/dbraw/zinc/65/14/98/847651498.db2.gz WRTXNVBGVSCRRH-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCCO1 ZINC001200556089 847651505 /nfs/dbraw/zinc/65/15/05/847651505.db2.gz WRTXNVBGVSCRRH-NXEZZACHSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931275 847865727 /nfs/dbraw/zinc/86/57/27/847865727.db2.gz HSUFDZZZUBGQGJ-LLVKDONJSA-N 1 2 264.325 0.011 20 30 CCEDLO C=CCC[C@@H](O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001252591081 848028088 /nfs/dbraw/zinc/02/80/88/848028088.db2.gz JCIBWUKKYYYOTL-LLVKDONJSA-N 1 2 266.345 0.644 20 30 CCEDLO C=CCC[C@@H](O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001252591081 848028094 /nfs/dbraw/zinc/02/80/94/848028094.db2.gz JCIBWUKKYYYOTL-LLVKDONJSA-N 1 2 266.345 0.644 20 30 CCEDLO C=CCN1CC2(C[NH+](CC(C)(C)CO)C2)OCC1=O ZINC001274055848 848330813 /nfs/dbraw/zinc/33/08/13/848330813.db2.gz VSCUTAXPTOHTME-UHFFFAOYSA-N 1 2 268.357 0.104 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274356749 848460129 /nfs/dbraw/zinc/46/01/29/848460129.db2.gz XYIVLIWVFUHVMD-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274356749 848460135 /nfs/dbraw/zinc/46/01/35/848460135.db2.gz XYIVLIWVFUHVMD-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001274615360 848524788 /nfs/dbraw/zinc/52/47/88/848524788.db2.gz SSCKIPKBVINAKW-OCCSQVGLSA-N 1 2 282.384 0.635 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001274747907 848559610 /nfs/dbraw/zinc/55/96/10/848559610.db2.gz XIDHXBMECSDRLP-SECBINFHSA-N 1 2 262.313 0.386 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC2(C)C)C1 ZINC001276043777 848907573 /nfs/dbraw/zinc/90/75/73/848907573.db2.gz IOQOGZQKJHZTBE-CYBMUJFWSA-N 1 2 296.411 0.788 20 30 CCEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001095463601 848929409 /nfs/dbraw/zinc/92/94/09/848929409.db2.gz IFWVNENNWRGPET-AGIUHOORSA-N 1 2 298.408 0.329 20 30 CCEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001095463601 848929414 /nfs/dbraw/zinc/92/94/14/848929414.db2.gz IFWVNENNWRGPET-AGIUHOORSA-N 1 2 298.408 0.329 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001095617664 849000137 /nfs/dbraw/zinc/00/01/37/849000137.db2.gz OFXNBWPOGBPADH-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001095748885 849134604 /nfs/dbraw/zinc/13/46/04/849134604.db2.gz DCWPNHUHLBCUAJ-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)cc1 ZINC001095854035 849203047 /nfs/dbraw/zinc/20/30/47/849203047.db2.gz IHWJGZOSASRKRL-ILXRZTDVSA-N 1 2 297.358 0.488 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)cc1 ZINC001095854035 849203056 /nfs/dbraw/zinc/20/30/56/849203056.db2.gz IHWJGZOSASRKRL-ILXRZTDVSA-N 1 2 297.358 0.488 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114718129 849377265 /nfs/dbraw/zinc/37/72/65/849377265.db2.gz IAXLGDKBIXITBH-NHAGDIPZSA-N 1 2 288.351 0.810 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114718129 849377279 /nfs/dbraw/zinc/37/72/79/849377279.db2.gz IAXLGDKBIXITBH-NHAGDIPZSA-N 1 2 288.351 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001038629919 849729340 /nfs/dbraw/zinc/72/93/40/849729340.db2.gz KVYCFESDUHJYCW-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001038629919 849729346 /nfs/dbraw/zinc/72/93/46/849729346.db2.gz KVYCFESDUHJYCW-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001038249401 849830166 /nfs/dbraw/zinc/83/01/66/849830166.db2.gz FWHPFZFYYXDDEU-GFCCVEGCSA-N 1 2 288.351 0.701 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001038249401 849830172 /nfs/dbraw/zinc/83/01/72/849830172.db2.gz FWHPFZFYYXDDEU-GFCCVEGCSA-N 1 2 288.351 0.701 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038265403 849835567 /nfs/dbraw/zinc/83/55/67/849835567.db2.gz CIDXYCMUSQOQAW-IHRRRGAJSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038265403 849835575 /nfs/dbraw/zinc/83/55/75/849835575.db2.gz CIDXYCMUSQOQAW-IHRRRGAJSA-N 1 2 264.369 0.871 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322970 849851175 /nfs/dbraw/zinc/85/11/75/849851175.db2.gz DUHQEMYCORSWQU-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322970 849851186 /nfs/dbraw/zinc/85/11/86/849851186.db2.gz DUHQEMYCORSWQU-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038382531 849872604 /nfs/dbraw/zinc/87/26/04/849872604.db2.gz DEAQXRNABMHTQL-CYBMUJFWSA-N 1 2 268.320 0.952 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038382531 849872613 /nfs/dbraw/zinc/87/26/13/849872613.db2.gz DEAQXRNABMHTQL-CYBMUJFWSA-N 1 2 268.320 0.952 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038656650 849969987 /nfs/dbraw/zinc/96/99/87/849969987.db2.gz HGGAJCUTKMMZDD-NSHDSACASA-N 1 2 270.292 0.660 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038656650 849969993 /nfs/dbraw/zinc/96/99/93/849969993.db2.gz HGGAJCUTKMMZDD-NSHDSACASA-N 1 2 270.292 0.660 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038696790 849987455 /nfs/dbraw/zinc/98/74/55/849987455.db2.gz SSFIWIVUWIMUBG-GFCCVEGCSA-N 1 2 289.383 0.861 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038696790 849987458 /nfs/dbraw/zinc/98/74/58/849987458.db2.gz SSFIWIVUWIMUBG-GFCCVEGCSA-N 1 2 289.383 0.861 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001038712858 849991296 /nfs/dbraw/zinc/99/12/96/849991296.db2.gz NVSJYFLJOPSIIW-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001038712858 849991302 /nfs/dbraw/zinc/99/13/02/849991302.db2.gz NVSJYFLJOPSIIW-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(COC)n1 ZINC001038871735 850060552 /nfs/dbraw/zinc/06/05/52/850060552.db2.gz ZTMXPALATHSAJF-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(COC)n1 ZINC001038871735 850060561 /nfs/dbraw/zinc/06/05/61/850060561.db2.gz ZTMXPALATHSAJF-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038892398 850069000 /nfs/dbraw/zinc/06/90/00/850069000.db2.gz XTEOUCSBNKIESW-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038892398 850069013 /nfs/dbraw/zinc/06/90/13/850069013.db2.gz XTEOUCSBNKIESW-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001038915715 850081472 /nfs/dbraw/zinc/08/14/72/850081472.db2.gz VTFRPUYLRPLLBW-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001038915715 850081487 /nfs/dbraw/zinc/08/14/87/850081487.db2.gz VTFRPUYLRPLLBW-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001039018571 850121368 /nfs/dbraw/zinc/12/13/68/850121368.db2.gz OKIYAZYWRRJBMF-LBPRGKRZSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001039018571 850121371 /nfs/dbraw/zinc/12/13/71/850121371.db2.gz OKIYAZYWRRJBMF-LBPRGKRZSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055031 850142922 /nfs/dbraw/zinc/14/29/22/850142922.db2.gz RFAUPVMHMBRQRN-LLVKDONJSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055031 850142924 /nfs/dbraw/zinc/14/29/24/850142924.db2.gz RFAUPVMHMBRQRN-LLVKDONJSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039070316 850145681 /nfs/dbraw/zinc/14/56/81/850145681.db2.gz QMUHBMHXXJXOGE-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039070316 850145687 /nfs/dbraw/zinc/14/56/87/850145687.db2.gz QMUHBMHXXJXOGE-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079062 850148162 /nfs/dbraw/zinc/14/81/62/850148162.db2.gz CJZWHNXRZBUDRS-GFCCVEGCSA-N 1 2 288.351 0.703 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079062 850148166 /nfs/dbraw/zinc/14/81/66/850148166.db2.gz CJZWHNXRZBUDRS-GFCCVEGCSA-N 1 2 288.351 0.703 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001039352985 850176869 /nfs/dbraw/zinc/17/68/69/850176869.db2.gz KOOFJXOGIVXHBC-OLZOCXBDSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001039352985 850176873 /nfs/dbraw/zinc/17/68/73/850176873.db2.gz KOOFJXOGIVXHBC-OLZOCXBDSA-N 1 2 287.367 0.436 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC001095934968 850251517 /nfs/dbraw/zinc/25/15/17/850251517.db2.gz XPGMJZSMRYYYPM-RFHZTLPTSA-N 1 2 299.378 0.579 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC001095934968 850251527 /nfs/dbraw/zinc/25/15/27/850251527.db2.gz XPGMJZSMRYYYPM-RFHZTLPTSA-N 1 2 299.378 0.579 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042174390 850587146 /nfs/dbraw/zinc/58/71/46/850587146.db2.gz WWSOHFOREWRTHT-KBPBESRZSA-N 1 2 287.367 0.720 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246464 850603522 /nfs/dbraw/zinc/60/35/22/850603522.db2.gz FMRBZVVWLDQSKB-WCQYABFASA-N 1 2 273.340 0.399 20 30 CCEDLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590095 850705155 /nfs/dbraw/zinc/70/51/55/850705155.db2.gz STLFAILEQYTENZ-VIFPVBQESA-N 1 2 262.313 0.023 20 30 CCEDLO COCC[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042589083 850705378 /nfs/dbraw/zinc/70/53/78/850705378.db2.gz DJTGJDGEQANUAX-UHFFFAOYSA-N 1 2 262.313 0.289 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2COC(=O)C2)C1 ZINC001042614817 850713973 /nfs/dbraw/zinc/71/39/73/850713973.db2.gz CGYBDIAAUUGJMC-LLVKDONJSA-N 1 2 266.341 0.658 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001042840593 850768558 /nfs/dbraw/zinc/76/85/58/850768558.db2.gz GUFCFFUPMLEOGA-LBPRGKRZSA-N 1 2 293.411 0.962 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001043123320 850818435 /nfs/dbraw/zinc/81/84/35/850818435.db2.gz FEIQYOKJIKZKHQ-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945625 850895133 /nfs/dbraw/zinc/89/51/33/850895133.db2.gz AGIBQMPPPTUWOC-YTWAJWBKSA-N 1 2 298.774 0.142 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945625 850895129 /nfs/dbraw/zinc/89/51/29/850895129.db2.gz AGIBQMPPPTUWOC-YTWAJWBKSA-N 1 2 298.774 0.142 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001043913901 850962705 /nfs/dbraw/zinc/96/27/05/850962705.db2.gz UVPYIMJOWQFYGZ-YPMHNXCESA-N 1 2 250.342 0.577 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001043993893 850979929 /nfs/dbraw/zinc/97/99/29/850979929.db2.gz PWJWRMPALTYINN-QWHCGFSZSA-N 1 2 293.411 0.997 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001043992215 850980014 /nfs/dbraw/zinc/98/00/14/850980014.db2.gz QBBBWTMUWDPKEJ-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001044208386 851040813 /nfs/dbraw/zinc/04/08/13/851040813.db2.gz OSPNVRFOBDFKEG-AWEZNQCLSA-N 1 2 277.368 0.163 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044233792 851048671 /nfs/dbraw/zinc/04/86/71/851048671.db2.gz IMQXDJLYCDMGPA-UHFFFAOYSA-N 1 2 260.341 0.427 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001044338731 851080085 /nfs/dbraw/zinc/08/00/85/851080085.db2.gz WGBLYTYWDKOAQF-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001044393081 851097472 /nfs/dbraw/zinc/09/74/72/851097472.db2.gz IFDDEZKCIOJVBY-LBPRGKRZSA-N 1 2 274.368 0.690 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)C[C@H]1C ZINC001044840649 851166684 /nfs/dbraw/zinc/16/66/84/851166684.db2.gz KQOIJCZHLOJDFD-ZYHUDNBSSA-N 1 2 275.356 0.753 20 30 CCEDLO CCC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046059742 851360393 /nfs/dbraw/zinc/36/03/93/851360393.db2.gz NVPOEMFKBPZGHK-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN(CC#N)C1 ZINC001046423123 851497296 /nfs/dbraw/zinc/49/72/96/851497296.db2.gz IMMDWKGJXGYBCY-SWLSCSKDSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN(CC#N)C1 ZINC001046423118 851497483 /nfs/dbraw/zinc/49/74/83/851497483.db2.gz IMMDWKGJXGYBCY-DOMZBBRYSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047428875 851761061 /nfs/dbraw/zinc/76/10/61/851761061.db2.gz LKRTVTYUSWKSGZ-KKUMJFAQSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047428875 851761067 /nfs/dbraw/zinc/76/10/67/851761067.db2.gz LKRTVTYUSWKSGZ-KKUMJFAQSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047428875 851761076 /nfs/dbraw/zinc/76/10/76/851761076.db2.gz LKRTVTYUSWKSGZ-KKUMJFAQSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047428875 851761080 /nfs/dbraw/zinc/76/10/80/851761080.db2.gz LKRTVTYUSWKSGZ-KKUMJFAQSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047428875 851761085 /nfs/dbraw/zinc/76/10/85/851761085.db2.gz LKRTVTYUSWKSGZ-KKUMJFAQSA-N 1 2 295.427 0.550 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001047564811 851818963 /nfs/dbraw/zinc/81/89/63/851818963.db2.gz CHCKSOHRHHZWIS-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001047564811 851818971 /nfs/dbraw/zinc/81/89/71/851818971.db2.gz CHCKSOHRHHZWIS-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)on2)C1 ZINC001047601100 851832139 /nfs/dbraw/zinc/83/21/39/851832139.db2.gz ZJCGWIWZCDLWKT-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)on2)C1 ZINC001047601100 851832127 /nfs/dbraw/zinc/83/21/27/851832127.db2.gz ZJCGWIWZCDLWKT-KBPBESRZSA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001047614729 851834315 /nfs/dbraw/zinc/83/43/15/851834315.db2.gz YCJXMOLXBBYBMI-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001047614729 851834321 /nfs/dbraw/zinc/83/43/21/851834321.db2.gz YCJXMOLXBBYBMI-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC001096260034 851872333 /nfs/dbraw/zinc/87/23/33/851872333.db2.gz XIVSZBYTELVHCU-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO Cn1cnnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810534 852072363 /nfs/dbraw/zinc/07/23/63/852072363.db2.gz PAEHQSJYTQQWIQ-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO Cn1cnnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810534 852072366 /nfs/dbraw/zinc/07/23/66/852072366.db2.gz PAEHQSJYTQQWIQ-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097753381 852606618 /nfs/dbraw/zinc/60/66/18/852606618.db2.gz AGIBQMPPPTUWOC-ZNSHCXBVSA-N 1 2 298.774 0.142 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097753381 852606623 /nfs/dbraw/zinc/60/66/23/852606623.db2.gz AGIBQMPPPTUWOC-ZNSHCXBVSA-N 1 2 298.774 0.142 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001097792657 852614398 /nfs/dbraw/zinc/61/43/98/852614398.db2.gz RSEZQPWXXROMAV-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)Nc1[nH+]cnc2c1cnn2C ZINC001097802716 852619565 /nfs/dbraw/zinc/61/95/65/852619565.db2.gz AYOQVYUABTYSOQ-SNVBAGLBSA-N 1 2 298.350 0.693 20 30 CCEDLO C=C(C)CN1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001053447008 852744704 /nfs/dbraw/zinc/74/47/04/852744704.db2.gz NKHITZDVDXJPKF-UHFFFAOYSA-N 1 2 290.367 0.442 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncnc1)CO2 ZINC001053785751 852820045 /nfs/dbraw/zinc/82/00/45/852820045.db2.gz PUVHNUWHRVXXLM-CYBMUJFWSA-N 1 2 286.335 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc[nH]1)CO2 ZINC001053794437 852822630 /nfs/dbraw/zinc/82/26/30/852822630.db2.gz OOBLLAQTUQIROI-NSHDSACASA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(F)CCOC1)CO2 ZINC001053905468 852843284 /nfs/dbraw/zinc/84/32/84/852843284.db2.gz HREVKVGVIUZTCE-WFASDCNBSA-N 1 2 296.342 0.098 20 30 CCEDLO CN1CCN(C2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1=O ZINC001254671688 852905621 /nfs/dbraw/zinc/90/56/21/852905621.db2.gz TYOCHXNLAGAJEB-VXGBXAGGSA-N 1 2 262.357 0.137 20 30 CCEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001056871492 853238115 /nfs/dbraw/zinc/23/81/15/853238115.db2.gz LOSDLQQQOQIABI-CMPLNLGQSA-N 1 2 273.340 0.982 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001050827820 853449077 /nfs/dbraw/zinc/44/90/77/853449077.db2.gz JRKQKUOBUMXTCD-LBPRGKRZSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001050827820 853449083 /nfs/dbraw/zinc/44/90/83/853449083.db2.gz JRKQKUOBUMXTCD-LBPRGKRZSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC001050888530 853476514 /nfs/dbraw/zinc/47/65/14/853476514.db2.gz XHGOXOISITWOAC-AWEZNQCLSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC001050888530 853476515 /nfs/dbraw/zinc/47/65/15/853476515.db2.gz XHGOXOISITWOAC-AWEZNQCLSA-N 1 2 290.367 0.873 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001050894638 853478540 /nfs/dbraw/zinc/47/85/40/853478540.db2.gz RLQMWXLPMFRPOP-SLTAFYQDSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001050894638 853478547 /nfs/dbraw/zinc/47/85/47/853478547.db2.gz RLQMWXLPMFRPOP-SLTAFYQDSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1C ZINC001051005915 853505710 /nfs/dbraw/zinc/50/57/10/853505710.db2.gz HCXVHNUIAZPCFO-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnnc1C ZINC001051005915 853505713 /nfs/dbraw/zinc/50/57/13/853505713.db2.gz HCXVHNUIAZPCFO-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001051044500 853511422 /nfs/dbraw/zinc/51/14/22/853511422.db2.gz RNOIBXCJKXVHLC-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001051044500 853511423 /nfs/dbraw/zinc/51/14/23/853511423.db2.gz RNOIBXCJKXVHLC-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001051067592 853517003 /nfs/dbraw/zinc/51/70/03/853517003.db2.gz GBDFUYJBRUOTJQ-JTQLQIEISA-N 1 2 297.380 0.855 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001051067592 853517006 /nfs/dbraw/zinc/51/70/06/853517006.db2.gz GBDFUYJBRUOTJQ-JTQLQIEISA-N 1 2 297.380 0.855 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001051075857 853518190 /nfs/dbraw/zinc/51/81/90/853518190.db2.gz NMEGPPNCEKJXCL-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001051075857 853518198 /nfs/dbraw/zinc/51/81/98/853518198.db2.gz NMEGPPNCEKJXCL-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001051232363 853550671 /nfs/dbraw/zinc/55/06/71/853550671.db2.gz NXSIYIOYSRQENZ-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001051232363 853550674 /nfs/dbraw/zinc/55/06/74/853550674.db2.gz NXSIYIOYSRQENZ-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051967264 853666642 /nfs/dbraw/zinc/66/66/42/853666642.db2.gz RRVPULPEPNBWTQ-AWEZNQCLSA-N 1 2 261.369 0.248 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001052013898 853675647 /nfs/dbraw/zinc/67/56/47/853675647.db2.gz AYTXGFOHSAXISR-HUUCEWRRSA-N 1 2 289.423 0.884 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001058392528 853838430 /nfs/dbraw/zinc/83/84/30/853838430.db2.gz BEYUISILMZJDJB-ZDUSSCGKSA-N 1 2 296.334 0.545 20 30 CCEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058422421 853843532 /nfs/dbraw/zinc/84/35/32/853843532.db2.gz DQVDGLHTNOBGKQ-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058422977 853843930 /nfs/dbraw/zinc/84/39/30/853843930.db2.gz UGAGUDBMALOVPM-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@@H](n2ccnn2)C1 ZINC001069919252 854000983 /nfs/dbraw/zinc/00/09/83/854000983.db2.gz FPKRDROIRNYENQ-OLZOCXBDSA-N 1 2 298.350 0.203 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@@H](n2ccnn2)C1 ZINC001069919252 854000990 /nfs/dbraw/zinc/00/09/90/854000990.db2.gz FPKRDROIRNYENQ-OLZOCXBDSA-N 1 2 298.350 0.203 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070037408 854019829 /nfs/dbraw/zinc/01/98/29/854019829.db2.gz VTUJCZGEDTZMEN-UPJWGTAASA-N 1 2 285.351 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070037408 854019834 /nfs/dbraw/zinc/01/98/34/854019834.db2.gz VTUJCZGEDTZMEN-UPJWGTAASA-N 1 2 285.351 0.053 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070679039 854086416 /nfs/dbraw/zinc/08/64/16/854086416.db2.gz AYOOIRDVJADZAR-FDYHWXHSSA-N 1 2 287.367 0.484 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC=CC2)CC1 ZINC001070950175 854108666 /nfs/dbraw/zinc/10/86/66/854108666.db2.gz NIBSJRQYLPBSFV-UHFFFAOYSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2CC=CC2)CC1 ZINC001070950175 854108671 /nfs/dbraw/zinc/10/86/71/854108671.db2.gz NIBSJRQYLPBSFV-UHFFFAOYSA-N 1 2 291.395 0.789 20 30 CCEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)CC)C2)C(=O)C1 ZINC001071252273 854143093 /nfs/dbraw/zinc/14/30/93/854143093.db2.gz WQSFNWXJXYGRCR-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)CC)C2)C(=O)C1 ZINC001071252273 854143094 /nfs/dbraw/zinc/14/30/94/854143094.db2.gz WQSFNWXJXYGRCR-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO CC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 ZINC001071258520 854144425 /nfs/dbraw/zinc/14/44/25/854144425.db2.gz JPECEBMAYGEOHD-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO CC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 ZINC001071258520 854144429 /nfs/dbraw/zinc/14/44/29/854144429.db2.gz JPECEBMAYGEOHD-OLZOCXBDSA-N 1 2 292.383 0.301 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cncn2)CC[C@@H]1C ZINC001072053877 854342492 /nfs/dbraw/zinc/34/24/92/854342492.db2.gz VWAFTRDTUZUSLM-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cncn2)CC[C@@H]1C ZINC001072053877 854342496 /nfs/dbraw/zinc/34/24/96/854342496.db2.gz VWAFTRDTUZUSLM-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001072718725 854452233 /nfs/dbraw/zinc/45/22/33/854452233.db2.gz LMJGJYOLXFIXLG-UHFFFAOYSA-N 1 2 296.374 0.924 20 30 CCEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001072718725 854452234 /nfs/dbraw/zinc/45/22/34/854452234.db2.gz LMJGJYOLXFIXLG-UHFFFAOYSA-N 1 2 296.374 0.924 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072799930 854464237 /nfs/dbraw/zinc/46/42/37/854464237.db2.gz ZVABZOVRIAESEZ-AAEUAGOBSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601188 854610263 /nfs/dbraw/zinc/61/02/63/854610263.db2.gz ILOQJJBAFVBJHV-LLVKDONJSA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601188 854610272 /nfs/dbraw/zinc/61/02/72/854610272.db2.gz ILOQJJBAFVBJHV-LLVKDONJSA-N 1 2 298.774 0.983 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC001074180741 854688168 /nfs/dbraw/zinc/68/81/68/854688168.db2.gz HRNWAOWWUVTVOV-KBPBESRZSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 ZINC001074180741 854688169 /nfs/dbraw/zinc/68/81/69/854688169.db2.gz HRNWAOWWUVTVOV-KBPBESRZSA-N 1 2 288.351 0.348 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001074205298 854695850 /nfs/dbraw/zinc/69/58/50/854695850.db2.gz PPPFOTFDWNJDLZ-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001074205298 854695853 /nfs/dbraw/zinc/69/58/53/854695853.db2.gz PPPFOTFDWNJDLZ-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235056 854703520 /nfs/dbraw/zinc/70/35/20/854703520.db2.gz CVUAFIRBTHWLDX-KGLIPLIRSA-N 1 2 262.353 0.721 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235056 854703526 /nfs/dbraw/zinc/70/35/26/854703526.db2.gz CVUAFIRBTHWLDX-KGLIPLIRSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CCN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001074418996 854728262 /nfs/dbraw/zinc/72/82/62/854728262.db2.gz CWTBYXFJDJIVHI-ZIAGYGMSSA-N 1 2 290.367 0.371 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098243390 854852689 /nfs/dbraw/zinc/85/26/89/854852689.db2.gz PZCIRLPOFGNWHZ-KXNHARMFSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001098243390 854852695 /nfs/dbraw/zinc/85/26/95/854852695.db2.gz PZCIRLPOFGNWHZ-KXNHARMFSA-N 1 2 297.786 0.739 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)/C(C)=C\C)C2)nn1 ZINC001098649414 854872991 /nfs/dbraw/zinc/87/29/91/854872991.db2.gz QPUVJTCXPZTIKV-VDFGQWLZSA-N 1 2 287.367 0.741 20 30 CCEDLO CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)[N@H+](CC(N)=O)C1 ZINC001099064279 854909106 /nfs/dbraw/zinc/90/91/06/854909106.db2.gz BDDJBQGIWIRTLH-ZDUSSCGKSA-N 1 2 291.395 0.492 20 30 CCEDLO CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)[N@@H+](CC(N)=O)C1 ZINC001099064279 854909114 /nfs/dbraw/zinc/90/91/14/854909114.db2.gz BDDJBQGIWIRTLH-ZDUSSCGKSA-N 1 2 291.395 0.492 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001099261895 854924568 /nfs/dbraw/zinc/92/45/68/854924568.db2.gz MPLAALRXNTXVMK-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099811941 855001662 /nfs/dbraw/zinc/00/16/62/855001662.db2.gz AGOCYMPNNXOVKN-STQMWFEESA-N 1 2 282.771 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099811941 855001667 /nfs/dbraw/zinc/00/16/67/855001667.db2.gz AGOCYMPNNXOVKN-STQMWFEESA-N 1 2 282.771 0.704 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099828965 855005919 /nfs/dbraw/zinc/00/59/19/855005919.db2.gz BHBNQNNZYLZHMR-NWDGAFQWSA-N 1 2 270.348 0.557 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099828965 855005921 /nfs/dbraw/zinc/00/59/21/855005921.db2.gz BHBNQNNZYLZHMR-NWDGAFQWSA-N 1 2 270.348 0.557 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCC1CC(NCC#N)C1 ZINC001100526128 855182899 /nfs/dbraw/zinc/18/28/99/855182899.db2.gz OZEHPZISAPPGAQ-UHFFFAOYSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100564518 855188797 /nfs/dbraw/zinc/18/87/97/855188797.db2.gz IZFJISDLWKELRF-UHFFFAOYSA-N 1 2 292.387 0.407 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001103117680 855498529 /nfs/dbraw/zinc/49/85/29/855498529.db2.gz KUGFDFHPQVBCPQ-ZDUSSCGKSA-N 1 2 298.350 0.579 20 30 CCEDLO C/C(=C\C(=O)NCC1(C#N)CC1)C[NH+]1CCOCC1 ZINC000888092536 855598919 /nfs/dbraw/zinc/59/89/19/855598919.db2.gz XUVVKBRTXHFRER-XYOKQWHBSA-N 1 2 263.341 0.685 20 30 CCEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001115766822 855695278 /nfs/dbraw/zinc/69/52/78/855695278.db2.gz RNWAGKPYTBQDAX-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001119059341 856546538 /nfs/dbraw/zinc/54/65/38/856546538.db2.gz VZAZFJQTHCQCQL-SNVBAGLBSA-N 1 2 264.285 0.359 20 30 CCEDLO C=CCC[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC001119345139 856643592 /nfs/dbraw/zinc/64/35/92/856643592.db2.gz IWPTZBZYGSYLQV-WDEREUQCSA-N 1 2 251.334 0.814 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH2+]Cc3ncccn3)CC2)[nH]1 ZINC001392900358 912252591 /nfs/dbraw/zinc/25/25/91/912252591.db2.gz FGVWBXCFJNTFAX-UHFFFAOYSA-N 1 2 296.334 0.729 20 30 CCEDLO C=C(C)CCC(=O)NCC1([NH2+][C@H](C)c2nnnn2C)CC1 ZINC001323456644 912354946 /nfs/dbraw/zinc/35/49/46/912354946.db2.gz LUGYXZDHTJPBSM-LLVKDONJSA-N 1 2 292.387 0.866 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cocn2)C1 ZINC001393232488 912449491 /nfs/dbraw/zinc/44/94/91/912449491.db2.gz BXQMECASZUKTOM-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cocn2)C1 ZINC001393232488 912449496 /nfs/dbraw/zinc/44/94/96/912449496.db2.gz BXQMECASZUKTOM-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001323773173 912514898 /nfs/dbraw/zinc/51/48/98/912514898.db2.gz YMLZJNRIZDGLJK-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001323773173 912514914 /nfs/dbraw/zinc/51/49/14/912514914.db2.gz YMLZJNRIZDGLJK-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)COCC)C1 ZINC001323885307 912560862 /nfs/dbraw/zinc/56/08/62/912560862.db2.gz MYRIYBOPDBTCRG-UHFFFAOYSA-N 1 2 256.346 0.368 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](C/C=C/Cl)C1 ZINC001393426165 912565933 /nfs/dbraw/zinc/56/59/33/912565933.db2.gz HSFLBVOTOZQGOY-VWRYTFAISA-N 1 2 285.775 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](C/C=C/Cl)C1 ZINC001393426165 912565944 /nfs/dbraw/zinc/56/59/44/912565944.db2.gz HSFLBVOTOZQGOY-VWRYTFAISA-N 1 2 285.775 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@H](C)c1nnnn1C ZINC001393614950 912681842 /nfs/dbraw/zinc/68/18/42/912681842.db2.gz YOYXDJPVBMIHOC-GHMZBOCLSA-N 1 2 293.375 0.211 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC001393614950 912681857 /nfs/dbraw/zinc/68/18/57/912681857.db2.gz YOYXDJPVBMIHOC-GHMZBOCLSA-N 1 2 293.375 0.211 20 30 CCEDLO C#CCN(CC1CC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001324235895 912732490 /nfs/dbraw/zinc/73/24/90/912732490.db2.gz NZDBMIODPJTVBZ-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCN(CC1CC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001324235895 912732500 /nfs/dbraw/zinc/73/25/00/912732500.db2.gz NZDBMIODPJTVBZ-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324609678 912937393 /nfs/dbraw/zinc/93/73/93/912937393.db2.gz ZHYZBSOJBQARHR-OAHLLOKOSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324609678 912937407 /nfs/dbraw/zinc/93/74/07/912937407.db2.gz ZHYZBSOJBQARHR-OAHLLOKOSA-N 1 2 290.367 0.010 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC001394289662 913116963 /nfs/dbraw/zinc/11/69/63/913116963.db2.gz NMHCVSDRYCBTNZ-ZYHUDNBSSA-N 1 2 290.371 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC001394289662 913116968 /nfs/dbraw/zinc/11/69/68/913116968.db2.gz NMHCVSDRYCBTNZ-ZYHUDNBSSA-N 1 2 290.371 0.301 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](CCCCCF)C1 ZINC001325206914 913281840 /nfs/dbraw/zinc/28/18/40/913281840.db2.gz AHVVGDMBKWKUDU-UHFFFAOYSA-N 1 2 284.375 0.949 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)CCC)C1 ZINC001325259668 913304032 /nfs/dbraw/zinc/30/40/32/913304032.db2.gz REJNWJFLUYFIHC-UHFFFAOYSA-N 1 2 266.385 0.999 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=C)Cl ZINC001480862911 891405902 /nfs/dbraw/zinc/40/59/02/891405902.db2.gz HUROJSQIOLDVBE-LLVKDONJSA-N 1 2 258.749 0.825 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001480862911 891405910 /nfs/dbraw/zinc/40/59/10/891405910.db2.gz HUROJSQIOLDVBE-LLVKDONJSA-N 1 2 258.749 0.825 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)CC(=O)N(C)CC1CC1 ZINC001480861516 891404074 /nfs/dbraw/zinc/40/40/74/891404074.db2.gz HYGNZZZWAHJPSV-UHFFFAOYSA-N 1 2 293.411 0.562 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC001480861516 891404081 /nfs/dbraw/zinc/40/40/81/891404081.db2.gz HYGNZZZWAHJPSV-UHFFFAOYSA-N 1 2 293.411 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001266326911 891446991 /nfs/dbraw/zinc/44/69/91/891446991.db2.gz PYCBJQJDVCCQKG-JTQLQIEISA-N 1 2 291.342 0.628 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001266326911 891447001 /nfs/dbraw/zinc/44/70/01/891447001.db2.gz PYCBJQJDVCCQKG-JTQLQIEISA-N 1 2 291.342 0.628 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[C@H]1CCCO1 ZINC001480910039 891749882 /nfs/dbraw/zinc/74/98/82/891749882.db2.gz YHWBKKJRVWDKQS-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[C@H]1CCCO1 ZINC001480910039 891749891 /nfs/dbraw/zinc/74/98/91/891749891.db2.gz YHWBKKJRVWDKQS-CHWSQXEVSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001480949153 891931837 /nfs/dbraw/zinc/93/18/37/891931837.db2.gz DGJNPMTXDKZKJM-ZDUSSCGKSA-N 1 2 275.352 0.490 20 30 CCEDLO C=C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001480949153 891931847 /nfs/dbraw/zinc/93/18/47/891931847.db2.gz DGJNPMTXDKZKJM-ZDUSSCGKSA-N 1 2 275.352 0.490 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CC(C)C2)C1 ZINC001481619622 892913345 /nfs/dbraw/zinc/91/33/45/892913345.db2.gz JUCLUKQTFFPEFK-LXVYMNJGSA-N 1 2 291.395 0.218 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001481640009 892947959 /nfs/dbraw/zinc/94/79/59/892947959.db2.gz MYTNFRZKINYFSX-LLVKDONJSA-N 1 2 267.373 0.383 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001481701855 893043793 /nfs/dbraw/zinc/04/37/93/893043793.db2.gz HPVFJXDJPQQLBA-CYBMUJFWSA-N 1 2 279.384 0.691 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001481701855 893043811 /nfs/dbraw/zinc/04/38/11/893043811.db2.gz HPVFJXDJPQQLBA-CYBMUJFWSA-N 1 2 279.384 0.691 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001481706010 893056619 /nfs/dbraw/zinc/05/66/19/893056619.db2.gz JNTQDRLOWZYKGL-CJNGLKHVSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001481706010 893056634 /nfs/dbraw/zinc/05/66/34/893056634.db2.gz JNTQDRLOWZYKGL-CJNGLKHVSA-N 1 2 291.395 0.529 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001481776073 893137022 /nfs/dbraw/zinc/13/70/22/893137022.db2.gz VPGQVNWDFHZHRM-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCCN1CC#N ZINC001284132800 893317078 /nfs/dbraw/zinc/31/70/78/893317078.db2.gz XKLDKANSVMNMDF-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(COCC)CC2)C1 ZINC001482193655 893493407 /nfs/dbraw/zinc/49/34/07/893493407.db2.gz XKCSYQHVOHDAMQ-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(COCC)CC2)C1 ZINC001482193655 893493412 /nfs/dbraw/zinc/49/34/12/893493412.db2.gz XKCSYQHVOHDAMQ-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001506746674 894889692 /nfs/dbraw/zinc/88/96/92/894889692.db2.gz NCRMOEPPLLQWGT-NHYWBVRUSA-N 1 2 281.400 0.901 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001506746674 894889708 /nfs/dbraw/zinc/88/97/08/894889708.db2.gz NCRMOEPPLLQWGT-NHYWBVRUSA-N 1 2 281.400 0.901 20 30 CCEDLO Cc1cnc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001409831866 895726791 /nfs/dbraw/zinc/72/67/91/895726791.db2.gz FNFTUWZWWSSWNU-CMPLNLGQSA-N 1 2 287.367 0.881 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001483637721 895768961 /nfs/dbraw/zinc/76/89/61/895768961.db2.gz ATIFLYYFJIFXBE-JSGCOSHPSA-N 1 2 289.379 0.281 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001483637721 895768981 /nfs/dbraw/zinc/76/89/81/895768981.db2.gz ATIFLYYFJIFXBE-JSGCOSHPSA-N 1 2 289.379 0.281 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(C(F)F)n1 ZINC001483655853 895804129 /nfs/dbraw/zinc/80/41/29/895804129.db2.gz UMEPIWJUPHNIRU-SNVBAGLBSA-N 1 2 282.294 0.644 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc(C(F)F)n1 ZINC001483655853 895804138 /nfs/dbraw/zinc/80/41/38/895804138.db2.gz UMEPIWJUPHNIRU-SNVBAGLBSA-N 1 2 282.294 0.644 20 30 CCEDLO COCC#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001483735627 895947212 /nfs/dbraw/zinc/94/72/12/895947212.db2.gz ZGAQRGFPENEKBX-SECBINFHSA-N 1 2 296.264 0.775 20 30 CCEDLO COCC#CC[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001483735627 895947216 /nfs/dbraw/zinc/94/72/16/895947216.db2.gz ZGAQRGFPENEKBX-SECBINFHSA-N 1 2 296.264 0.775 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001483764200 896028501 /nfs/dbraw/zinc/02/85/01/896028501.db2.gz GKTGHXOJQIIOET-ZDUSSCGKSA-N 1 2 292.387 0.551 20 30 CCEDLO N#CCNC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001484013645 896150700 /nfs/dbraw/zinc/15/07/00/896150700.db2.gz ADZVXNQPINHESX-ZDUSSCGKSA-N 1 2 275.356 0.671 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001484196560 896229030 /nfs/dbraw/zinc/22/90/30/896229030.db2.gz VAZGRVPTLRUIDW-JTQLQIEISA-N 1 2 299.325 0.607 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001484196560 896229044 /nfs/dbraw/zinc/22/90/44/896229044.db2.gz VAZGRVPTLRUIDW-JTQLQIEISA-N 1 2 299.325 0.607 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccc(F)c2F)C1 ZINC001484290904 896321365 /nfs/dbraw/zinc/32/13/65/896321365.db2.gz BAHYHKPJMBAOMM-UHFFFAOYSA-N 1 2 294.301 0.765 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cccnc1 ZINC001326629890 914065272 /nfs/dbraw/zinc/06/52/72/914065272.db2.gz WTJWLJDNBBHWGQ-HNNXBMFYSA-N 1 2 287.363 0.464 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cccnc1 ZINC001326629890 914065287 /nfs/dbraw/zinc/06/52/87/914065287.db2.gz WTJWLJDNBBHWGQ-HNNXBMFYSA-N 1 2 287.363 0.464 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001484802337 896603434 /nfs/dbraw/zinc/60/34/34/896603434.db2.gz WPHKDOSUQDIVOL-STQMWFEESA-N 1 2 282.384 0.683 20 30 CCEDLO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001484798576 896612350 /nfs/dbraw/zinc/61/23/50/896612350.db2.gz MQXSJAOGIIXHKB-CHWSQXEVSA-N 1 2 294.395 0.376 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2ccon2)C1 ZINC001485401196 897034465 /nfs/dbraw/zinc/03/44/65/897034465.db2.gz IEQHHOWNWOJPOP-UHFFFAOYSA-N 1 2 279.340 0.346 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2C)C1 ZINC001107844231 897338612 /nfs/dbraw/zinc/33/86/12/897338612.db2.gz QBHIPUCRXFPESV-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2C)C1 ZINC001107844231 897338626 /nfs/dbraw/zinc/33/86/26/897338626.db2.gz QBHIPUCRXFPESV-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001107863966 897389968 /nfs/dbraw/zinc/38/99/68/897389968.db2.gz LLTDQGOJMPAYKG-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001107863966 897389985 /nfs/dbraw/zinc/38/99/85/897389985.db2.gz LLTDQGOJMPAYKG-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001107870122 897401343 /nfs/dbraw/zinc/40/13/43/897401343.db2.gz OOWTVTZGYATTMC-IUODEOHRSA-N 1 2 296.367 0.333 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001107870122 897401350 /nfs/dbraw/zinc/40/13/50/897401350.db2.gz OOWTVTZGYATTMC-IUODEOHRSA-N 1 2 296.367 0.333 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001032408742 897479775 /nfs/dbraw/zinc/47/97/75/897479775.db2.gz FULQUHIOYXGHDX-ZOBORPQBSA-N 1 2 289.379 0.210 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001032408742 897479782 /nfs/dbraw/zinc/47/97/82/897479782.db2.gz FULQUHIOYXGHDX-ZOBORPQBSA-N 1 2 289.379 0.210 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2n[nH]cc2C)C1 ZINC001107936955 897519065 /nfs/dbraw/zinc/51/90/65/897519065.db2.gz NRSBUOOQYAJVNG-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2n[nH]cc2C)C1 ZINC001107936955 897519073 /nfs/dbraw/zinc/51/90/73/897519073.db2.gz NRSBUOOQYAJVNG-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032419273 897535797 /nfs/dbraw/zinc/53/57/97/897535797.db2.gz RFQSZFGKWUVEDM-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032419273 897535803 /nfs/dbraw/zinc/53/58/03/897535803.db2.gz RFQSZFGKWUVEDM-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107957919 897607424 /nfs/dbraw/zinc/60/74/24/897607424.db2.gz QGZAZWDWZZZSCL-BPUTZDHNSA-N 1 2 292.379 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001107957919 897607439 /nfs/dbraw/zinc/60/74/39/897607439.db2.gz QGZAZWDWZZZSCL-BPUTZDHNSA-N 1 2 292.379 0.253 20 30 CCEDLO N#CCN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910478 897611272 /nfs/dbraw/zinc/61/12/72/897611272.db2.gz AHMPKVAUFHJOKA-XGUBFFRZSA-N 1 2 299.378 0.575 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CCC ZINC001032497631 897654865 /nfs/dbraw/zinc/65/48/65/897654865.db2.gz OWOFYVCHUTWXJW-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CCC ZINC001032497631 897654877 /nfs/dbraw/zinc/65/48/77/897654877.db2.gz OWOFYVCHUTWXJW-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nnnn2c1 ZINC001032518112 897691817 /nfs/dbraw/zinc/69/18/17/897691817.db2.gz QCOZUHZGPUCVJI-STQMWFEESA-N 1 2 296.334 0.046 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nnnn2c1 ZINC001032518112 897691825 /nfs/dbraw/zinc/69/18/25/897691825.db2.gz QCOZUHZGPUCVJI-STQMWFEESA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@@H](O)C1 ZINC001083790519 897726496 /nfs/dbraw/zinc/72/64/96/897726496.db2.gz NHIDUHIZFJREDF-SYQHCUMBSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@@H](O)C1 ZINC001083790519 897726505 /nfs/dbraw/zinc/72/65/05/897726505.db2.gz NHIDUHIZFJREDF-SYQHCUMBSA-N 1 2 264.369 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(=O)[nH]c1 ZINC001032587664 897785067 /nfs/dbraw/zinc/78/50/67/897785067.db2.gz OWWNFFXRHWGKNU-KBPBESRZSA-N 1 2 285.347 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(=O)[nH]c1 ZINC001032587664 897785077 /nfs/dbraw/zinc/78/50/77/897785077.db2.gz OWWNFFXRHWGKNU-KBPBESRZSA-N 1 2 285.347 0.638 20 30 CCEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N(C)C1 ZINC001032605006 897814224 /nfs/dbraw/zinc/81/42/24/897814224.db2.gz PURUKIDVUCKLDF-RYUDHWBXSA-N 1 2 290.367 0.991 20 30 CCEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N(C)C1 ZINC001032605006 897814233 /nfs/dbraw/zinc/81/42/33/897814233.db2.gz PURUKIDVUCKLDF-RYUDHWBXSA-N 1 2 290.367 0.991 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001032644498 897893280 /nfs/dbraw/zinc/89/32/80/897893280.db2.gz HDNQVTCFXZSTSB-RYUDHWBXSA-N 1 2 270.336 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001032644498 897893283 /nfs/dbraw/zinc/89/32/83/897893283.db2.gz HDNQVTCFXZSTSB-RYUDHWBXSA-N 1 2 270.336 0.819 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032673676 897923408 /nfs/dbraw/zinc/92/34/08/897923408.db2.gz DIZTWMULCFHYEE-DRZSPHRISA-N 1 2 273.340 0.397 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032673676 897923413 /nfs/dbraw/zinc/92/34/13/897923413.db2.gz DIZTWMULCFHYEE-DRZSPHRISA-N 1 2 273.340 0.397 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nncn2c1 ZINC001032681161 897927101 /nfs/dbraw/zinc/92/71/01/897927101.db2.gz KAOHNKPGHLUCOH-KBPBESRZSA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nncn2c1 ZINC001032681161 897927110 /nfs/dbraw/zinc/92/71/10/897927110.db2.gz KAOHNKPGHLUCOH-KBPBESRZSA-N 1 2 295.346 0.651 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cc[nH+]1 ZINC001032702594 897943733 /nfs/dbraw/zinc/94/37/33/897943733.db2.gz YORCUABSLFOLHE-QWRGUYRKSA-N 1 2 280.759 0.990 20 30 CCEDLO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#C ZINC001032740421 898051511 /nfs/dbraw/zinc/05/15/11/898051511.db2.gz NIPLPNUGZGPLIJ-KBPBESRZSA-N 1 2 295.342 0.626 20 30 CCEDLO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#C ZINC001032740421 898051530 /nfs/dbraw/zinc/05/15/30/898051530.db2.gz NIPLPNUGZGPLIJ-KBPBESRZSA-N 1 2 295.342 0.626 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001272841904 898073444 /nfs/dbraw/zinc/07/34/44/898073444.db2.gz AIDYNYYYEOYJFM-STQMWFEESA-N 1 2 283.372 0.390 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001272841904 898073451 /nfs/dbraw/zinc/07/34/51/898073451.db2.gz AIDYNYYYEOYJFM-STQMWFEESA-N 1 2 283.372 0.390 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cnc1C ZINC001032754138 898093595 /nfs/dbraw/zinc/09/35/95/898093595.db2.gz YEJMFKRXWRZPIT-RYUDHWBXSA-N 1 2 258.325 0.179 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cnc1C ZINC001032754138 898093605 /nfs/dbraw/zinc/09/36/05/898093605.db2.gz YEJMFKRXWRZPIT-RYUDHWBXSA-N 1 2 258.325 0.179 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(C)n1 ZINC001032769887 898148018 /nfs/dbraw/zinc/14/80/18/898148018.db2.gz CKZNUSSVTIFHCM-STQMWFEESA-N 1 2 275.377 0.912 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(C)n1 ZINC001032769887 898148034 /nfs/dbraw/zinc/14/80/34/898148034.db2.gz CKZNUSSVTIFHCM-STQMWFEESA-N 1 2 275.377 0.912 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001078102682 898239296 /nfs/dbraw/zinc/23/92/96/898239296.db2.gz YKXTZUMQJDBZSK-QDIHITRGSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001078102682 898239300 /nfs/dbraw/zinc/23/93/00/898239300.db2.gz YKXTZUMQJDBZSK-QDIHITRGSA-N 1 2 290.407 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099632261 898301662 /nfs/dbraw/zinc/30/16/62/898301662.db2.gz AIEWAURHCYMWRZ-GHMZBOCLSA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099632261 898301670 /nfs/dbraw/zinc/30/16/70/898301670.db2.gz AIEWAURHCYMWRZ-GHMZBOCLSA-N 1 2 276.764 0.327 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001108035796 898415558 /nfs/dbraw/zinc/41/55/58/898415558.db2.gz ODLSLLILOYGPNM-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001108036129 898442774 /nfs/dbraw/zinc/44/27/74/898442774.db2.gz YNJPQEAGVNFUMH-GFCCVEGCSA-N 1 2 298.350 0.579 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486149871 898688396 /nfs/dbraw/zinc/68/83/96/898688396.db2.gz UZAFFCMINKHQNI-UKRRQHHQSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486149871 898688400 /nfs/dbraw/zinc/68/84/00/898688400.db2.gz UZAFFCMINKHQNI-UKRRQHHQSA-N 1 2 287.367 0.979 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC001486443929 898881911 /nfs/dbraw/zinc/88/19/11/898881911.db2.gz MZVOUBKRGLUWAC-QWRGUYRKSA-N 1 2 291.355 0.946 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001410012888 899096686 /nfs/dbraw/zinc/09/66/86/899096686.db2.gz NJAPHLBIMABTHJ-MNOVXSKESA-N 1 2 280.372 0.109 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001410012888 899096700 /nfs/dbraw/zinc/09/67/00/899096700.db2.gz NJAPHLBIMABTHJ-MNOVXSKESA-N 1 2 280.372 0.109 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196838115 900056877 /nfs/dbraw/zinc/05/68/77/900056877.db2.gz AZPYPWFCYRPESX-CYBMUJFWSA-N 1 2 279.384 0.588 20 30 CCEDLO CC#CCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196838115 900056884 /nfs/dbraw/zinc/05/68/84/900056884.db2.gz AZPYPWFCYRPESX-CYBMUJFWSA-N 1 2 279.384 0.588 20 30 CCEDLO CC[C@H](CNC(=O)CSCC#N)[NH2+]Cc1csnn1 ZINC001494940593 900232797 /nfs/dbraw/zinc/23/27/97/900232797.db2.gz FAQPDJARNFESCG-SECBINFHSA-N 1 2 299.425 0.779 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC001488680353 900341706 /nfs/dbraw/zinc/34/17/06/900341706.db2.gz ZONQRVKGGUBAAM-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC001488680353 900341713 /nfs/dbraw/zinc/34/17/13/900341713.db2.gz ZONQRVKGGUBAAM-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCOCC)C1 ZINC001490430384 900628324 /nfs/dbraw/zinc/62/83/24/900628324.db2.gz GESIQRFGNRLZOW-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCOCC)C1 ZINC001490430384 900628330 /nfs/dbraw/zinc/62/83/30/900628330.db2.gz GESIQRFGNRLZOW-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490528675 900646378 /nfs/dbraw/zinc/64/63/78/900646378.db2.gz NUCXXHCTEYPXGZ-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490528675 900646386 /nfs/dbraw/zinc/64/63/86/900646386.db2.gz NUCXXHCTEYPXGZ-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CCO1 ZINC001490508182 900656960 /nfs/dbraw/zinc/65/69/60/900656960.db2.gz XGFRDBFWCDFUES-KGLIPLIRSA-N 1 2 294.399 0.059 20 30 CCEDLO COCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001327349707 914490418 /nfs/dbraw/zinc/49/04/18/914490418.db2.gz LPTONASWMZUWOQ-AWEZNQCLSA-N 1 2 292.379 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001398301563 914611594 /nfs/dbraw/zinc/61/15/94/914611594.db2.gz YHZCPWFIWIMJLU-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001398301563 914611602 /nfs/dbraw/zinc/61/16/02/914611602.db2.gz YHZCPWFIWIMJLU-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC001413370106 902908976 /nfs/dbraw/zinc/90/89/76/902908976.db2.gz QLHYJXUGEHYABA-UHFFFAOYSA-N 1 2 291.336 0.208 20 30 CCEDLO N#C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC001328105266 903079430 /nfs/dbraw/zinc/07/94/30/903079430.db2.gz KELYGMCJOYIDJY-ZWNOBZJWSA-N 1 2 276.365 0.961 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CSCC#N)CO2 ZINC001280936241 904177277 /nfs/dbraw/zinc/17/72/77/904177277.db2.gz OFJBLXUMYLOOAU-GFCCVEGCSA-N 1 2 293.392 0.226 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)CCCC ZINC001282497465 904490009 /nfs/dbraw/zinc/49/00/09/904490009.db2.gz OPOYJRXTVCHZDL-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)CCCC ZINC001282497465 904490015 /nfs/dbraw/zinc/49/00/15/904490015.db2.gz OPOYJRXTVCHZDL-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(C)C)C1 ZINC001282707176 904525577 /nfs/dbraw/zinc/52/55/77/904525577.db2.gz SFGSODQGEQQCFF-ZDUSSCGKSA-N 1 2 293.411 0.607 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001282713841 904526829 /nfs/dbraw/zinc/52/68/29/904526829.db2.gz AVDZHMXYGRUUMT-LLVKDONJSA-N 1 2 267.373 0.525 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001316625468 904801859 /nfs/dbraw/zinc/80/18/59/904801859.db2.gz UWSMKTVIBPLEEG-BETUJISGSA-N 1 2 275.356 0.671 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001377516690 904959967 /nfs/dbraw/zinc/95/99/67/904959967.db2.gz ILALWXTXWIHEKH-UHFFFAOYSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001377516690 904959974 /nfs/dbraw/zinc/95/99/74/904959974.db2.gz ILALWXTXWIHEKH-UHFFFAOYSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001283744248 904986645 /nfs/dbraw/zinc/98/66/45/904986645.db2.gz FARRPKRCPVVKTP-GXSJLCMTSA-N 1 2 281.360 0.207 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001284417765 905286623 /nfs/dbraw/zinc/28/66/23/905286623.db2.gz PVFDQUUWCBMEIM-IUCAKERBSA-N 1 2 286.269 0.872 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001284417765 905286640 /nfs/dbraw/zinc/28/66/40/905286640.db2.gz PVFDQUUWCBMEIM-IUCAKERBSA-N 1 2 286.269 0.872 20 30 CCEDLO C=CCCCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285664679 905712567 /nfs/dbraw/zinc/71/25/67/905712567.db2.gz WLFRNRIUXPNTBT-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO C#CCCCC(=O)N(C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285812164 905767905 /nfs/dbraw/zinc/76/79/05/905767905.db2.gz HBFQKUTZJJRESI-LBPRGKRZSA-N 1 2 290.367 0.719 20 30 CCEDLO C#CCCCC(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001286007618 905831740 /nfs/dbraw/zinc/83/17/40/905831740.db2.gz CPNTXSJVIOVSJD-UHFFFAOYSA-N 1 2 288.351 0.425 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001290006576 906104616 /nfs/dbraw/zinc/10/46/16/906104616.db2.gz NNGZIWZQPVTDQO-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001304091024 908143941 /nfs/dbraw/zinc/14/39/41/908143941.db2.gz RRIPCDRRMZYABZ-LLVKDONJSA-N 1 2 277.324 0.660 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001304091024 908143947 /nfs/dbraw/zinc/14/39/47/908143947.db2.gz RRIPCDRRMZYABZ-LLVKDONJSA-N 1 2 277.324 0.660 20 30 CCEDLO Cc1cc(NC(=O)N2CCN(CC#N)CC2)c(C)c[nH+]1 ZINC001310450600 908498825 /nfs/dbraw/zinc/49/88/25/908498825.db2.gz NVMMHFMOBQBNEY-UHFFFAOYSA-N 1 2 273.340 0.793 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)CC(C)(F)F)CC1 ZINC001316967349 908878485 /nfs/dbraw/zinc/87/84/85/908878485.db2.gz ZZZYKCHSFOEIPB-UHFFFAOYSA-N 1 2 287.354 0.789 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001317083326 908969112 /nfs/dbraw/zinc/96/91/12/908969112.db2.gz DQISOPVBKZDWMT-MGCOHNPYSA-N 1 2 278.360 0.159 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)C(C)(C)O)n2C)CC1 ZINC001338426283 921463825 /nfs/dbraw/zinc/46/38/25/921463825.db2.gz JVZXATDJGVDSHI-GFCCVEGCSA-N 1 2 291.399 0.445 20 30 CCEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001317456994 909230113 /nfs/dbraw/zinc/23/01/13/909230113.db2.gz KHQVPDYGZCXSNW-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001317456994 909230125 /nfs/dbraw/zinc/23/01/25/909230125.db2.gz KHQVPDYGZCXSNW-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001317456238 909231260 /nfs/dbraw/zinc/23/12/60/909231260.db2.gz GOBCOCUPZMAOPB-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001317456238 909231269 /nfs/dbraw/zinc/23/12/69/909231269.db2.gz GOBCOCUPZMAOPB-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001317457896 909231799 /nfs/dbraw/zinc/23/17/99/909231799.db2.gz GHQPEGAJJADRFQ-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001317457896 909231811 /nfs/dbraw/zinc/23/18/11/909231811.db2.gz GHQPEGAJJADRFQ-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCCC ZINC001317460209 909239613 /nfs/dbraw/zinc/23/96/13/909239613.db2.gz YYDVCSJGJJQHPQ-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCCC ZINC001317460209 909239597 /nfs/dbraw/zinc/23/95/97/909239597.db2.gz YYDVCSJGJJQHPQ-UHFFFAOYSA-N 1 2 269.389 0.773 20 30 CCEDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001387820964 909274305 /nfs/dbraw/zinc/27/43/05/909274305.db2.gz DHTUUASFRXJKIY-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001317520494 909286368 /nfs/dbraw/zinc/28/63/68/909286368.db2.gz NDEAKTORILWPDT-BDAKNGLRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520494 909286326 /nfs/dbraw/zinc/28/63/26/909286326.db2.gz NDEAKTORILWPDT-BDAKNGLRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001317520494 909286346 /nfs/dbraw/zinc/28/63/46/909286346.db2.gz NDEAKTORILWPDT-BDAKNGLRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001317520494 909286360 /nfs/dbraw/zinc/28/63/60/909286360.db2.gz NDEAKTORILWPDT-BDAKNGLRSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001317941191 909544436 /nfs/dbraw/zinc/54/44/36/909544436.db2.gz RZDWRNBUVCDRDP-VXGBXAGGSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001317941191 909544441 /nfs/dbraw/zinc/54/44/41/909544441.db2.gz RZDWRNBUVCDRDP-VXGBXAGGSA-N 1 2 283.347 0.065 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001318099802 909617393 /nfs/dbraw/zinc/61/73/93/909617393.db2.gz XWJMGHJLAWHXBM-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001318108366 909625683 /nfs/dbraw/zinc/62/56/83/909625683.db2.gz UDEPLGUKKPMASH-UHFFFAOYSA-N 1 2 290.367 0.999 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001318193119 909664240 /nfs/dbraw/zinc/66/42/40/909664240.db2.gz NIDCCTDFSJOLFP-KKJDTDOJSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001318193119 909664251 /nfs/dbraw/zinc/66/42/51/909664251.db2.gz NIDCCTDFSJOLFP-KKJDTDOJSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(CC=C)c2=S)CC1 ZINC001318232206 909668547 /nfs/dbraw/zinc/66/85/47/909668547.db2.gz KAZXOIZUMPFJFC-UHFFFAOYSA-N 1 2 277.397 0.808 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001318250733 909677851 /nfs/dbraw/zinc/67/78/51/909677851.db2.gz URQBGXFPBGCYLL-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001318250733 909677863 /nfs/dbraw/zinc/67/78/63/909677863.db2.gz URQBGXFPBGCYLL-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@H+](CC=C)CCO1 ZINC001319297095 910079916 /nfs/dbraw/zinc/07/99/16/910079916.db2.gz LDXBAQCLFIBPSX-KGLIPLIRSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](CC=C)CCO1 ZINC001319297095 910079924 /nfs/dbraw/zinc/07/99/24/910079924.db2.gz LDXBAQCLFIBPSX-KGLIPLIRSA-N 1 2 282.384 0.971 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001319308861 910085878 /nfs/dbraw/zinc/08/58/78/910085878.db2.gz GNXSKSSALLSRJU-ZDUSSCGKSA-N 1 2 282.384 0.235 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001319308861 910085897 /nfs/dbraw/zinc/08/58/97/910085897.db2.gz GNXSKSSALLSRJU-ZDUSSCGKSA-N 1 2 282.384 0.235 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1C[N@H+](CC(=C)C)CCO1 ZINC001319332142 910100038 /nfs/dbraw/zinc/10/00/38/910100038.db2.gz LBGQAEGRPJRAEQ-AWEZNQCLSA-N 1 2 282.384 0.972 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001319332142 910100056 /nfs/dbraw/zinc/10/00/56/910100056.db2.gz LBGQAEGRPJRAEQ-AWEZNQCLSA-N 1 2 282.384 0.972 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)/C=C/C(C)(C)C ZINC001319981085 910388201 /nfs/dbraw/zinc/38/82/01/910388201.db2.gz KIXXIUXELNSVQM-VOTSOKGWSA-N 1 2 294.399 0.619 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)/C=C/C(C)(C)C ZINC001319981085 910388220 /nfs/dbraw/zinc/38/82/20/910388220.db2.gz KIXXIUXELNSVQM-VOTSOKGWSA-N 1 2 294.399 0.619 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)CC1CCC1 ZINC001319986785 910393608 /nfs/dbraw/zinc/39/36/08/910393608.db2.gz USJTVQQUCIAPCB-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)CC1CCC1 ZINC001319986785 910393619 /nfs/dbraw/zinc/39/36/19/910393619.db2.gz USJTVQQUCIAPCB-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](F)C(C)C ZINC001320034540 910428596 /nfs/dbraw/zinc/42/85/96/910428596.db2.gz MOBJLASHNLNHLZ-ZDUSSCGKSA-N 1 2 287.379 0.673 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](F)C(C)C ZINC001320034540 910428607 /nfs/dbraw/zinc/42/86/07/910428607.db2.gz MOBJLASHNLNHLZ-ZDUSSCGKSA-N 1 2 287.379 0.673 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1CNCC#N ZINC001320170417 910490840 /nfs/dbraw/zinc/49/08/40/910490840.db2.gz IDGJPXGVHPFCIG-DGCLKSJQSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCCF ZINC001338894746 921598025 /nfs/dbraw/zinc/59/80/25/921598025.db2.gz LIIMHKFWSWVRII-VXGBXAGGSA-N 1 2 297.378 0.997 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCCF ZINC001338894746 921598040 /nfs/dbraw/zinc/59/80/40/921598040.db2.gz LIIMHKFWSWVRII-VXGBXAGGSA-N 1 2 297.378 0.997 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323199031 912177572 /nfs/dbraw/zinc/17/75/72/912177572.db2.gz MZEQPOSKOCAIPI-GJZGRUSLSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323199031 912177577 /nfs/dbraw/zinc/17/75/77/912177577.db2.gz MZEQPOSKOCAIPI-GJZGRUSLSA-N 1 2 294.395 0.808 20 30 CCEDLO C[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(C(F)F)no1 ZINC001398873588 914904351 /nfs/dbraw/zinc/90/43/51/914904351.db2.gz HARVSOXQYJPKMS-RNFRBKRXSA-N 1 2 287.270 0.761 20 30 CCEDLO Cc1[nH+]cc(C=NNC2CCS(=O)(=O)CC2)n1C ZINC001328009255 914918637 /nfs/dbraw/zinc/91/86/37/914918637.db2.gz IRTXUMDMJNBTIE-UHFFFAOYSA-N 1 2 270.358 0.229 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001328116865 914978455 /nfs/dbraw/zinc/97/84/55/914978455.db2.gz PYLBYVGYPDVQAV-SDNWHVSQSA-N 1 2 275.396 0.804 20 30 CCEDLO COc1cc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)sn1 ZINC001399433453 915157823 /nfs/dbraw/zinc/15/78/23/915157823.db2.gz GOKFNCXWGPQHNB-VIFPVBQESA-N 1 2 282.369 0.859 20 30 CCEDLO COc1cc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)sn1 ZINC001399433453 915157834 /nfs/dbraw/zinc/15/78/34/915157834.db2.gz GOKFNCXWGPQHNB-VIFPVBQESA-N 1 2 282.369 0.859 20 30 CCEDLO COc1cc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)sn1 ZINC001399433450 915166239 /nfs/dbraw/zinc/16/62/39/915166239.db2.gz GOKFNCXWGPQHNB-SECBINFHSA-N 1 2 282.369 0.859 20 30 CCEDLO COc1cc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)sn1 ZINC001399433450 915166250 /nfs/dbraw/zinc/16/62/50/915166250.db2.gz GOKFNCXWGPQHNB-SECBINFHSA-N 1 2 282.369 0.859 20 30 CCEDLO CC#CC[NH2+][C@@H](C)CCNC(=O)c1[nH]ncc1F ZINC001328400469 915169331 /nfs/dbraw/zinc/16/93/31/915169331.db2.gz WTAGMOPHWAQYRB-VIFPVBQESA-N 1 2 252.293 0.670 20 30 CCEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC001328469489 915218091 /nfs/dbraw/zinc/21/80/91/915218091.db2.gz RLESNFFJMOSNNY-ZDUSSCGKSA-N 1 2 273.336 0.373 20 30 CCEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC001328469489 915218105 /nfs/dbraw/zinc/21/81/05/915218105.db2.gz RLESNFFJMOSNNY-ZDUSSCGKSA-N 1 2 273.336 0.373 20 30 CCEDLO C#CCn1cc(CNC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC001328676030 915353109 /nfs/dbraw/zinc/35/31/09/915353109.db2.gz GOEADOKJKTXAME-UHFFFAOYSA-N 1 2 257.297 0.407 20 30 CCEDLO C=CCN(c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001339591842 921770978 /nfs/dbraw/zinc/77/09/78/921770978.db2.gz PTLNGUCEISELIM-SWLSCSKDSA-N 1 2 291.399 0.882 20 30 CCEDLO C=CCN(c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001339591842 921770989 /nfs/dbraw/zinc/77/09/89/921770989.db2.gz PTLNGUCEISELIM-SWLSCSKDSA-N 1 2 291.399 0.882 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CSC(C)C)C1 ZINC001329638634 916089179 /nfs/dbraw/zinc/08/91/79/916089179.db2.gz ODKQJJPKZJQRTD-UHFFFAOYSA-N 1 2 284.425 0.704 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330404371 916611523 /nfs/dbraw/zinc/61/15/23/916611523.db2.gz LSYXGMBALNEGGX-OLZOCXBDSA-N 1 2 291.355 0.002 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001402643567 917150838 /nfs/dbraw/zinc/15/08/38/917150838.db2.gz ZLASAAOJOGAWKP-JTQLQIEISA-N 1 2 278.360 0.553 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001402643567 917150846 /nfs/dbraw/zinc/15/08/46/917150846.db2.gz ZLASAAOJOGAWKP-JTQLQIEISA-N 1 2 278.360 0.553 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332148475 917905304 /nfs/dbraw/zinc/90/53/04/917905304.db2.gz YCNYOUKFNZCVFU-BXUZGUMPSA-N 1 2 290.367 0.681 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001332148475 917905316 /nfs/dbraw/zinc/90/53/16/917905316.db2.gz YCNYOUKFNZCVFU-BXUZGUMPSA-N 1 2 290.367 0.681 20 30 CCEDLO CCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001404046115 918182192 /nfs/dbraw/zinc/18/21/92/918182192.db2.gz VMZAORWXCTXZQO-GHMZBOCLSA-N 1 2 291.355 0.730 20 30 CCEDLO CCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001404046115 918182204 /nfs/dbraw/zinc/18/22/04/918182204.db2.gz VMZAORWXCTXZQO-GHMZBOCLSA-N 1 2 291.355 0.730 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001404267122 918267435 /nfs/dbraw/zinc/26/74/35/918267435.db2.gz OROOYQHCURGQFE-NSHDSACASA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001404267122 918267442 /nfs/dbraw/zinc/26/74/42/918267442.db2.gz OROOYQHCURGQFE-NSHDSACASA-N 1 2 299.802 0.988 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001404407691 918338436 /nfs/dbraw/zinc/33/84/36/918338436.db2.gz FZQZWLDPLRUVBI-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001404407691 918338453 /nfs/dbraw/zinc/33/84/53/918338453.db2.gz FZQZWLDPLRUVBI-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001332664951 918363788 /nfs/dbraw/zinc/36/37/88/918363788.db2.gz ORTMSEOZHHEMTP-GFCCVEGCSA-N 1 2 290.367 0.285 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001332664951 918363802 /nfs/dbraw/zinc/36/38/02/918363802.db2.gz ORTMSEOZHHEMTP-GFCCVEGCSA-N 1 2 290.367 0.285 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2cc(C(=O)OCC)n[nH]2)CC1 ZINC001333735060 919127484 /nfs/dbraw/zinc/12/74/84/919127484.db2.gz WUVIASXXICHEAK-UHFFFAOYSA-N 1 2 291.351 0.937 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH2+]Cc3cnon3)CC2)[nH]1 ZINC001406905495 919530764 /nfs/dbraw/zinc/53/07/64/919530764.db2.gz IWAGPOVGAPFELG-UHFFFAOYSA-N 1 2 286.295 0.322 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001334385053 919542063 /nfs/dbraw/zinc/54/20/63/919542063.db2.gz BILARJJIZJPJDQ-ZJUUUORDSA-N 1 2 270.358 0.474 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001407321574 919698286 /nfs/dbraw/zinc/69/82/86/919698286.db2.gz JKSSEKOWIPOGIE-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001407321574 919698301 /nfs/dbraw/zinc/69/83/01/919698301.db2.gz JKSSEKOWIPOGIE-CYBMUJFWSA-N 1 2 296.758 0.396 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](O)CC#N)CC1 ZINC001334926345 919841856 /nfs/dbraw/zinc/84/18/56/919841856.db2.gz QABWGKHTXZHMFO-SNVBAGLBSA-N 1 2 251.286 0.040 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001335063603 919925917 /nfs/dbraw/zinc/92/59/17/919925917.db2.gz DOPSNQJSSRNTKG-LLVKDONJSA-N 1 2 261.325 0.575 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001335063603 919925928 /nfs/dbraw/zinc/92/59/28/919925928.db2.gz DOPSNQJSSRNTKG-LLVKDONJSA-N 1 2 261.325 0.575 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001335076814 919937865 /nfs/dbraw/zinc/93/78/65/919937865.db2.gz ILBUILNSIBWALQ-NWDGAFQWSA-N 1 2 294.355 0.041 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC001336258793 920692875 /nfs/dbraw/zinc/69/28/75/920692875.db2.gz KPULVMJTKAGUBP-CHWSQXEVSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)N(CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001415889826 920855789 /nfs/dbraw/zinc/85/57/89/920855789.db2.gz CNMMSIWUSBOGOK-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)[C@H](C)O)n2C)CC1 ZINC001340040900 921927839 /nfs/dbraw/zinc/92/78/39/921927839.db2.gz OQQZXXKYJJXTMK-QWHCGFSZSA-N 1 2 291.399 0.445 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001340972258 922299449 /nfs/dbraw/zinc/29/94/49/922299449.db2.gz KEQGZIZJJUHBHA-MFKMUULPSA-N 1 2 262.313 0.490 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001419010797 922569398 /nfs/dbraw/zinc/56/93/98/922569398.db2.gz OSOIFBLDVIYOBD-QWRGUYRKSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H](NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1)C1CC1 ZINC001419010800 922569628 /nfs/dbraw/zinc/56/96/28/922569628.db2.gz OSOIFBLDVIYOBD-WDEREUQCSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001419010790 922571819 /nfs/dbraw/zinc/57/18/19/922571819.db2.gz OSOIFBLDVIYOBD-GHMZBOCLSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cnsn1 ZINC001419729007 923049642 /nfs/dbraw/zinc/04/96/42/923049642.db2.gz WIIOYLCXKVRDQB-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](COC)OC ZINC001420509211 923727002 /nfs/dbraw/zinc/72/70/02/923727002.db2.gz VFJOFCIUSRZSAV-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](COC)OC ZINC001420509211 923727016 /nfs/dbraw/zinc/72/70/16/923727016.db2.gz VFJOFCIUSRZSAV-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001420602924 923813206 /nfs/dbraw/zinc/81/32/06/923813206.db2.gz ZTTBFCWWJYKQMT-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001420602924 923813214 /nfs/dbraw/zinc/81/32/14/923813214.db2.gz ZTTBFCWWJYKQMT-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001347448560 924450368 /nfs/dbraw/zinc/45/03/68/924450368.db2.gz KBIUHMIZIOKELA-NEPJUHHUSA-N 1 2 279.340 0.944 20 30 CCEDLO C#CCC1(O)CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC001349796852 925060056 /nfs/dbraw/zinc/06/00/56/925060056.db2.gz RUKDZUIPAPNOTC-UHFFFAOYSA-N 1 2 276.340 0.480 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001350712557 925259541 /nfs/dbraw/zinc/25/95/41/925259541.db2.gz QHZVHIRTFBYMLF-CYBMUJFWSA-N 1 2 290.367 0.909 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001351136255 925367890 /nfs/dbraw/zinc/36/78/90/925367890.db2.gz ZAGRAYKFHBBHPW-QWRGUYRKSA-N 1 2 263.345 0.012 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001351136255 925367898 /nfs/dbraw/zinc/36/78/98/925367898.db2.gz ZAGRAYKFHBBHPW-QWRGUYRKSA-N 1 2 263.345 0.012 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nncn2C)nn1 ZINC001352995927 925693914 /nfs/dbraw/zinc/69/39/14/925693914.db2.gz CHPPYBQOCXQZDG-SNVBAGLBSA-N 1 2 259.317 0.129 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)[nH]3)n2C)CC1 ZINC001355549100 926282367 /nfs/dbraw/zinc/28/23/67/926282367.db2.gz RSGXSWOTQNLVGQ-UHFFFAOYSA-N 1 2 295.350 0.437 20 30 CCEDLO N#CCC1CC[NH+](Cc2cc(=O)n3[nH]c(N)nc3n2)CC1 ZINC001421687047 926856642 /nfs/dbraw/zinc/85/66/42/926856642.db2.gz AKOXTBBPZMONTG-UHFFFAOYSA-N 1 2 287.327 0.125 20 30 CCEDLO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001414040955 926894560 /nfs/dbraw/zinc/89/45/60/926894560.db2.gz YFJXQCHUPDTIQC-NEPJUHHUSA-N 1 2 286.335 0.199 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001422185002 927133938 /nfs/dbraw/zinc/13/39/38/927133938.db2.gz RSZSQBKTMRQWOS-JTQLQIEISA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001422185002 927133949 /nfs/dbraw/zinc/13/39/49/927133949.db2.gz RSZSQBKTMRQWOS-JTQLQIEISA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001422608662 927406857 /nfs/dbraw/zinc/40/68/57/927406857.db2.gz XXXAGLUCOGZKDA-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001422608662 927406869 /nfs/dbraw/zinc/40/68/69/927406869.db2.gz XXXAGLUCOGZKDA-VIFPVBQESA-N 1 2 298.774 0.916 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362741772 928433898 /nfs/dbraw/zinc/43/38/98/928433898.db2.gz RFAWMJDLHRPPEN-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362741772 928433906 /nfs/dbraw/zinc/43/39/06/928433906.db2.gz RFAWMJDLHRPPEN-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO COC(=O)C1(C#N)CCN(CCC[NH+]2CCOCC2)CC1 ZINC001363241425 929016891 /nfs/dbraw/zinc/01/68/91/929016891.db2.gz GSGCFJVEDHJCRT-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1coc(C#N)c1 ZINC001363637993 929439492 /nfs/dbraw/zinc/43/94/92/929439492.db2.gz AHDZKVBDYNMBQU-LLVKDONJSA-N 1 2 288.263 0.388 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1coc(C#N)c1 ZINC001363637993 929439496 /nfs/dbraw/zinc/43/94/96/929439496.db2.gz AHDZKVBDYNMBQU-LLVKDONJSA-N 1 2 288.263 0.388 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1cncn1 ZINC001372278978 929795821 /nfs/dbraw/zinc/79/58/21/929795821.db2.gz KTZSRJMCXYLSHV-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1cncn1 ZINC001372278978 929795828 /nfs/dbraw/zinc/79/58/28/929795828.db2.gz KTZSRJMCXYLSHV-UHFFFAOYSA-N 1 2 285.779 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445840517 930266073 /nfs/dbraw/zinc/26/60/73/930266073.db2.gz OHUAEEOSMAJRKC-UWVGGRQHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445840517 930266078 /nfs/dbraw/zinc/26/60/78/930266078.db2.gz OHUAEEOSMAJRKC-UWVGGRQHSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001446558505 930437395 /nfs/dbraw/zinc/43/73/95/930437395.db2.gz JXXOXJKYSKDXJW-GFCCVEGCSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001446558505 930437401 /nfs/dbraw/zinc/43/74/01/930437401.db2.gz JXXOXJKYSKDXJW-GFCCVEGCSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001446558507 930438877 /nfs/dbraw/zinc/43/88/77/930438877.db2.gz JXXOXJKYSKDXJW-LBPRGKRZSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001446558507 930438881 /nfs/dbraw/zinc/43/88/81/930438881.db2.gz JXXOXJKYSKDXJW-LBPRGKRZSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)CN[C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001448946255 931033636 /nfs/dbraw/zinc/03/36/36/931033636.db2.gz AMRAEZNFEWKXPR-NSHDSACASA-N 1 2 286.763 0.011 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2conc2C)C1 ZINC001376081870 931045477 /nfs/dbraw/zinc/04/54/77/931045477.db2.gz PONXGOJFZBKEOA-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2conc2C)C1 ZINC001376081870 931045486 /nfs/dbraw/zinc/04/54/86/931045486.db2.gz PONXGOJFZBKEOA-ZDUSSCGKSA-N 1 2 299.758 0.902 20 30 CCEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)[O-])nn1C ZINC001602678882 971258211 /nfs/dbraw/zinc/25/82/11/971258211.db2.gz IOKMEDWNVDFNIS-UHFFFAOYSA-N 1 2 264.329 0.163 20 30 CCEDLO C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)[O-])nn1C ZINC001602678882 971258214 /nfs/dbraw/zinc/25/82/14/971258214.db2.gz IOKMEDWNVDFNIS-UHFFFAOYSA-N 1 2 264.329 0.163 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092068524 349482714 /nfs/dbraw/zinc/48/27/14/349482714.db2.gz JHHONWMWMGBEGP-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092068524 349482716 /nfs/dbraw/zinc/48/27/16/349482716.db2.gz JHHONWMWMGBEGP-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1C#N ZINC000599658894 361775554 /nfs/dbraw/zinc/77/55/54/361775554.db2.gz GFBPPTRXUALYRI-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1C#N ZINC000599658894 361775560 /nfs/dbraw/zinc/77/55/60/361775560.db2.gz GFBPPTRXUALYRI-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663965 361777517 /nfs/dbraw/zinc/77/75/17/361777517.db2.gz JKWRSONDQBPERX-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663965 361777519 /nfs/dbraw/zinc/77/75/19/361777519.db2.gz JKWRSONDQBPERX-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCNC(=O)CC3)n2c1 ZINC000093101618 349526167 /nfs/dbraw/zinc/52/61/67/349526167.db2.gz LBYMALSXXINCIN-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCNC(=O)CC3)n2c1 ZINC000093101618 349526169 /nfs/dbraw/zinc/52/61/69/349526169.db2.gz LBYMALSXXINCIN-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)CC3)n2c1 ZINC000093101618 349526172 /nfs/dbraw/zinc/52/61/72/349526172.db2.gz LBYMALSXXINCIN-UHFFFAOYSA-N 1 2 269.308 0.528 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599693980 361789455 /nfs/dbraw/zinc/78/94/55/361789455.db2.gz QMBCPTODSZEUQD-CHWSQXEVSA-N 1 2 298.412 0.691 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599693980 361789457 /nfs/dbraw/zinc/78/94/57/361789457.db2.gz QMBCPTODSZEUQD-CHWSQXEVSA-N 1 2 298.412 0.691 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000600005144 361851069 /nfs/dbraw/zinc/85/10/69/361851069.db2.gz NGGGOZZBOKNPST-GFCCVEGCSA-N 1 2 276.340 0.753 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)ccc1C#N ZINC000600208360 361890212 /nfs/dbraw/zinc/89/02/12/361890212.db2.gz KUANUGYIHLHLQE-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)ccc1C#N ZINC000600208360 361890217 /nfs/dbraw/zinc/89/02/17/361890217.db2.gz KUANUGYIHLHLQE-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO Cc1c[nH]c(CN2CCN(c3c(C#N)c(C)nn3C)CC2)[nH+]1 ZINC000600150986 361876726 /nfs/dbraw/zinc/87/67/26/361876726.db2.gz JKQJAZOZSTXOCX-UHFFFAOYSA-N 1 2 299.382 0.954 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000103149502 349691942 /nfs/dbraw/zinc/69/19/42/349691942.db2.gz VEDGQQUVOSKCAX-ZDUSSCGKSA-N 1 2 260.293 0.932 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000103149502 349691945 /nfs/dbraw/zinc/69/19/45/349691945.db2.gz VEDGQQUVOSKCAX-ZDUSSCGKSA-N 1 2 260.293 0.932 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869571 349733794 /nfs/dbraw/zinc/73/37/94/349733794.db2.gz AOBJGTLQHHECLG-NSHDSACASA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869571 349733796 /nfs/dbraw/zinc/73/37/96/349733796.db2.gz AOBJGTLQHHECLG-NSHDSACASA-N 1 2 283.372 0.888 20 30 CCEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)CO)CCOCC1 ZINC000600745568 362052762 /nfs/dbraw/zinc/05/27/62/362052762.db2.gz RPUIZYSBPBEXCC-SNVBAGLBSA-N 1 2 278.299 0.275 20 30 CCEDLO N#Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc(C2CC2)n1 ZINC000601132289 362154413 /nfs/dbraw/zinc/15/44/13/362154413.db2.gz DLPZRSHBCRTEOZ-CYBMUJFWSA-N 1 2 284.367 0.059 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601162890 362163109 /nfs/dbraw/zinc/16/31/09/362163109.db2.gz ANZCXYSTXHXYJQ-UHFFFAOYSA-N 1 2 277.368 0.861 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCO1 ZINC000329128141 529910282 /nfs/dbraw/zinc/91/02/82/529910282.db2.gz VGMXCFBYVPDNFQ-CYBMUJFWSA-N 1 2 285.388 0.734 20 30 CCEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC(C)(C)CC#N)C1 ZINC000601437451 362273909 /nfs/dbraw/zinc/27/39/09/362273909.db2.gz YGXWKGCNDGIJFW-NSHDSACASA-N 1 2 289.401 0.176 20 30 CCEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCC(C)(C)CC#N)C1 ZINC000601437451 362273912 /nfs/dbraw/zinc/27/39/12/362273912.db2.gz YGXWKGCNDGIJFW-NSHDSACASA-N 1 2 289.401 0.176 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601531657 362301336 /nfs/dbraw/zinc/30/13/36/362301336.db2.gz PUXLWNNKELFZMM-SNVBAGLBSA-N 1 2 285.373 0.568 20 30 CCEDLO C[NH+](C)CC1(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC1 ZINC000602194125 362550974 /nfs/dbraw/zinc/55/09/74/362550974.db2.gz FODJGBKKGKSXET-UHFFFAOYSA-N 1 2 273.340 0.861 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602473651 362635883 /nfs/dbraw/zinc/63/58/83/362635883.db2.gz CAMSKNPFIOYTFU-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000602696935 362757142 /nfs/dbraw/zinc/75/71/42/362757142.db2.gz MSTHTTPPJMIWJR-AWEZNQCLSA-N 1 2 275.308 0.703 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000602696935 362757146 /nfs/dbraw/zinc/75/71/46/362757146.db2.gz MSTHTTPPJMIWJR-AWEZNQCLSA-N 1 2 275.308 0.703 20 30 CCEDLO C[N@@H+]1CCN(Cc2nc(C#N)cs2)[C@@H](CO)C1 ZINC000602717450 362767989 /nfs/dbraw/zinc/76/79/89/362767989.db2.gz ZFHQMMHKDJCHOI-SNVBAGLBSA-N 1 2 252.343 0.123 20 30 CCEDLO C[N@H+]1CCN(Cc2nc(C#N)cs2)[C@@H](CO)C1 ZINC000602717450 362767992 /nfs/dbraw/zinc/76/79/92/362767992.db2.gz ZFHQMMHKDJCHOI-SNVBAGLBSA-N 1 2 252.343 0.123 20 30 CCEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cn1cncn1)C(=O)OC ZINC000602737441 362776573 /nfs/dbraw/zinc/77/65/73/362776573.db2.gz CJJUUDAUIKJUFS-MNOVXSKESA-N 1 2 252.318 0.764 20 30 CCEDLO N#CCC1(C[NH+]2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000602756214 362786160 /nfs/dbraw/zinc/78/61/60/362786160.db2.gz LYBIXIGKNHGFTB-UHFFFAOYSA-N 1 2 276.384 0.576 20 30 CCEDLO N#CCCN(CCc1cnccn1)CC[NH+]1CCOCC1 ZINC000602782278 362797695 /nfs/dbraw/zinc/79/76/95/362797695.db2.gz MXPSRFYLYFTRHO-UHFFFAOYSA-N 1 2 289.383 0.567 20 30 CCEDLO CC[C@H](C(=O)OC)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602852249 362839661 /nfs/dbraw/zinc/83/96/61/362839661.db2.gz AJBUVUTWBKXYQI-IJLUTSLNSA-N 1 2 253.346 0.856 20 30 CCEDLO CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602862668 362847823 /nfs/dbraw/zinc/84/78/23/362847823.db2.gz LPGCJQVPKYDFCX-FZMZJTMJSA-N 1 2 288.351 0.482 20 30 CCEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)C(=O)N1CCCCC1 ZINC000602865109 362849313 /nfs/dbraw/zinc/84/93/13/362849313.db2.gz WJSMSTROOBWTJZ-NWDGAFQWSA-N 1 2 280.372 0.395 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)o1 ZINC000343930994 137167440 /nfs/dbraw/zinc/16/74/40/137167440.db2.gz KESYLXACVCRQCO-JTQLQIEISA-N 1 2 288.263 0.388 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)o1 ZINC000343930994 137167441 /nfs/dbraw/zinc/16/74/41/137167441.db2.gz KESYLXACVCRQCO-JTQLQIEISA-N 1 2 288.263 0.388 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450352 348112427 /nfs/dbraw/zinc/11/24/27/348112427.db2.gz LGSJEJXXJMXFGZ-CYBMUJFWSA-N 1 2 297.362 0.213 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000602908439 362879681 /nfs/dbraw/zinc/87/96/81/362879681.db2.gz PTGFPPBQEYBRCJ-MFKMUULPSA-N 1 2 295.364 0.376 20 30 CCEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000602908439 362879686 /nfs/dbraw/zinc/87/96/86/362879686.db2.gz PTGFPPBQEYBRCJ-MFKMUULPSA-N 1 2 295.364 0.376 20 30 CCEDLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000602943108 362901166 /nfs/dbraw/zinc/90/11/66/362901166.db2.gz OQJCOAZHVVJWIS-UHFFFAOYSA-N 1 2 263.345 0.912 20 30 CCEDLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000602943108 362901169 /nfs/dbraw/zinc/90/11/69/362901169.db2.gz OQJCOAZHVVJWIS-UHFFFAOYSA-N 1 2 263.345 0.912 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975244 362918345 /nfs/dbraw/zinc/91/83/45/362918345.db2.gz ZZRQCZVUCQWSEB-NXEZZACHSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975244 362918352 /nfs/dbraw/zinc/91/83/52/362918352.db2.gz ZZRQCZVUCQWSEB-NXEZZACHSA-N 1 2 252.318 0.456 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975112 362918871 /nfs/dbraw/zinc/91/88/71/362918871.db2.gz YMQUAXJIAXMOIJ-SRVKXCTJSA-N 1 2 296.371 0.471 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975112 362918873 /nfs/dbraw/zinc/91/88/73/362918873.db2.gz YMQUAXJIAXMOIJ-SRVKXCTJSA-N 1 2 296.371 0.471 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000048216585 348402480 /nfs/dbraw/zinc/40/24/80/348402480.db2.gz HRSJKMVKJDECEJ-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000048216585 348402483 /nfs/dbraw/zinc/40/24/83/348402483.db2.gz HRSJKMVKJDECEJ-UHFFFAOYSA-N 1 2 294.399 0.787 20 30 CCEDLO N#Cc1cccc(F)c1CC(=O)NCC[NH+]1CCOCC1 ZINC000349075424 137386244 /nfs/dbraw/zinc/38/62/44/137386244.db2.gz APIMOMTWBFMCNM-UHFFFAOYSA-N 1 2 291.326 0.688 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)N(C)C ZINC000051768766 348494078 /nfs/dbraw/zinc/49/40/78/348494078.db2.gz JLOGWKXXNWKKAA-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)N(C)C ZINC000051768766 348494081 /nfs/dbraw/zinc/49/40/81/348494081.db2.gz JLOGWKXXNWKKAA-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CC(C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000052661253 348512837 /nfs/dbraw/zinc/51/28/37/348512837.db2.gz IBQNEOGSFWWUEP-ZDUSSCGKSA-N 1 2 294.399 0.547 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943290 348649983 /nfs/dbraw/zinc/64/99/83/348649983.db2.gz IJHZYOKMDKEWKY-ZDUSSCGKSA-N 1 2 292.335 0.597 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943290 348649984 /nfs/dbraw/zinc/64/99/84/348649984.db2.gz IJHZYOKMDKEWKY-ZDUSSCGKSA-N 1 2 292.335 0.597 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000076160302 349072169 /nfs/dbraw/zinc/07/21/69/349072169.db2.gz AUAHTFOXASUWIZ-UHFFFAOYSA-N 1 2 293.352 0.514 20 30 CCEDLO C=CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000080154944 349202830 /nfs/dbraw/zinc/20/28/30/349202830.db2.gz QMADYJBYNRPRDP-UHFFFAOYSA-N 1 2 279.344 0.523 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccccc2F)C1 ZINC000081342629 349259141 /nfs/dbraw/zinc/25/91/41/349259141.db2.gz RHAOQRQJSUJEGM-STQMWFEESA-N 1 2 277.299 0.837 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccccc2F)C1 ZINC000081342629 349259144 /nfs/dbraw/zinc/25/91/44/349259144.db2.gz RHAOQRQJSUJEGM-STQMWFEESA-N 1 2 277.299 0.837 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085824811 349335631 /nfs/dbraw/zinc/33/56/31/349335631.db2.gz GSJUPLBJOHFUIU-VIFPVBQESA-N 1 2 265.317 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085824811 349335634 /nfs/dbraw/zinc/33/56/34/349335634.db2.gz GSJUPLBJOHFUIU-VIFPVBQESA-N 1 2 265.317 0.242 20 30 CCEDLO N#Cc1cnc(SCC[NH+]2CCOCC2)cn1 ZINC000121073509 350021155 /nfs/dbraw/zinc/02/11/55/350021155.db2.gz KIHUYGCRYKGAMI-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603088827 362956416 /nfs/dbraw/zinc/95/64/16/362956416.db2.gz QNNJABATEVCWGM-SCRDCRAPSA-N 1 2 257.293 0.151 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603088827 362956424 /nfs/dbraw/zinc/95/64/24/362956424.db2.gz QNNJABATEVCWGM-SCRDCRAPSA-N 1 2 257.293 0.151 20 30 CCEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000150994676 350489639 /nfs/dbraw/zinc/48/96/39/350489639.db2.gz XXEYRYCUDRZEPQ-ZDUSSCGKSA-N 1 2 294.399 0.511 20 30 CCEDLO CCc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000162703192 350749889 /nfs/dbraw/zinc/74/98/89/350749889.db2.gz MOBFRUHLTMFDDA-UHFFFAOYSA-N 1 2 289.343 0.874 20 30 CCEDLO CCc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000162703192 350749891 /nfs/dbraw/zinc/74/98/91/350749891.db2.gz MOBFRUHLTMFDDA-UHFFFAOYSA-N 1 2 289.343 0.874 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000172019407 350953777 /nfs/dbraw/zinc/95/37/77/350953777.db2.gz USKSYGRMTJRVKA-CQSZACIVSA-N 1 2 285.347 0.769 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000172019407 350953779 /nfs/dbraw/zinc/95/37/79/350953779.db2.gz USKSYGRMTJRVKA-CQSZACIVSA-N 1 2 285.347 0.769 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000174735990 351100836 /nfs/dbraw/zinc/10/08/36/351100836.db2.gz ICHDDASOQSVLFQ-SNVBAGLBSA-N 1 2 272.370 0.269 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000174735990 351100839 /nfs/dbraw/zinc/10/08/39/351100839.db2.gz ICHDDASOQSVLFQ-SNVBAGLBSA-N 1 2 272.370 0.269 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cc(C#N)c[nH]1)[NH+]1CCOCC1 ZINC000175581095 351134605 /nfs/dbraw/zinc/13/46/05/351134605.db2.gz KLGBAUSFQWJJJZ-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO N#Cc1ccsc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178602939 351236646 /nfs/dbraw/zinc/23/66/46/351236646.db2.gz KAVKSHFBGMIZQA-NSHDSACASA-N 1 2 276.365 0.349 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC2(CC(=O)OC)CC2)nn1 ZINC000603247434 363021395 /nfs/dbraw/zinc/02/13/95/363021395.db2.gz BMALJVQENWXEKA-UHFFFAOYSA-N 1 2 276.340 0.734 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C#N)c1C ZINC000186517260 351499667 /nfs/dbraw/zinc/49/96/67/351499667.db2.gz DLCHTAZXGLJTCR-QWRGUYRKSA-N 1 2 293.323 0.134 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C#N)c1C ZINC000186517260 351499669 /nfs/dbraw/zinc/49/96/69/351499669.db2.gz DLCHTAZXGLJTCR-QWRGUYRKSA-N 1 2 293.323 0.134 20 30 CCEDLO CC[N@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000188075823 351571552 /nfs/dbraw/zinc/57/15/52/351571552.db2.gz QZJDEMKEPDVTHE-UHFFFAOYSA-N 1 2 257.297 0.513 20 30 CCEDLO CC[N@@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000188075823 351571556 /nfs/dbraw/zinc/57/15/56/351571556.db2.gz QZJDEMKEPDVTHE-UHFFFAOYSA-N 1 2 257.297 0.513 20 30 CCEDLO C=CCOCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000618523610 366036572 /nfs/dbraw/zinc/03/65/72/366036572.db2.gz KYQZLWXWUPIJIC-ZDUSSCGKSA-N 1 2 269.389 0.331 20 30 CCEDLO C[C@H]([C@H](C)Nc1cnc(C#N)cn1)[NH+]1CCOCC1 ZINC000123848811 187111534 /nfs/dbraw/zinc/11/15/34/187111534.db2.gz LORYNPDQZDFNHT-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(CSCC#N)n1 ZINC000230998253 352125093 /nfs/dbraw/zinc/12/50/93/352125093.db2.gz ZSLIBAHXOUODHU-SECBINFHSA-N 1 2 267.358 0.745 20 30 CCEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CSCC#N)n1 ZINC000230998253 352125095 /nfs/dbraw/zinc/12/50/95/352125095.db2.gz ZSLIBAHXOUODHU-SECBINFHSA-N 1 2 267.358 0.745 20 30 CCEDLO N#Cc1c(C[NH+]2C[C@H](O)[C@@H](O)C2)cn2ccccc12 ZINC000236590998 352200200 /nfs/dbraw/zinc/20/02/00/352200200.db2.gz VWIUPGPUSUGWGE-KBPBESRZSA-N 1 2 257.293 0.348 20 30 CCEDLO N#Cc1nc(N2CC3(C2)CC(=O)NCC[NH2+]3)ccc1Cl ZINC000603415478 363119535 /nfs/dbraw/zinc/11/95/35/363119535.db2.gz IXWBFUDHSUIDIL-UHFFFAOYSA-N 1 2 291.742 0.275 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271558425 191211734 /nfs/dbraw/zinc/21/17/34/191211734.db2.gz MTRPRTOIEMHGPA-GFCCVEGCSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271558425 191211737 /nfs/dbraw/zinc/21/17/37/191211737.db2.gz MTRPRTOIEMHGPA-GFCCVEGCSA-N 1 2 291.376 0.840 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1C#N ZINC000135014288 187789681 /nfs/dbraw/zinc/78/96/81/187789681.db2.gz PRPXZEWEIAEQTO-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1C#N ZINC000135014288 187789683 /nfs/dbraw/zinc/78/96/83/187789683.db2.gz PRPXZEWEIAEQTO-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000266941224 352734797 /nfs/dbraw/zinc/73/47/97/352734797.db2.gz RDGHJDZRAPOPED-UHFFFAOYSA-N 1 2 271.320 0.927 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000266941224 352734800 /nfs/dbraw/zinc/73/48/00/352734800.db2.gz RDGHJDZRAPOPED-UHFFFAOYSA-N 1 2 271.320 0.927 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000266959781 352735160 /nfs/dbraw/zinc/73/51/60/352735160.db2.gz WLFJZEHHHMCIJT-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000266959781 352735162 /nfs/dbraw/zinc/73/51/62/352735162.db2.gz WLFJZEHHHMCIJT-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267649731 352780452 /nfs/dbraw/zinc/78/04/52/352780452.db2.gz KXSNOLLETGEYSH-CABZTGNLSA-N 1 2 258.293 0.264 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267649731 352780456 /nfs/dbraw/zinc/78/04/56/352780456.db2.gz KXSNOLLETGEYSH-CABZTGNLSA-N 1 2 258.293 0.264 20 30 CCEDLO Cc1nnc(NC[C@H]2C[NH+]3CCN2CC3)c(C#N)c1C ZINC000269504227 352833685 /nfs/dbraw/zinc/83/36/85/352833685.db2.gz QSQBHBDEFKFRMV-LBPRGKRZSA-N 1 2 272.356 0.377 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNc2nc3ccccn3c2C#N)C1 ZINC000272912806 353105677 /nfs/dbraw/zinc/10/56/77/353105677.db2.gz OODHNEVQOHKFFB-LBPRGKRZSA-N 1 2 284.367 0.864 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNc2nc3ccccn3c2C#N)C1 ZINC000272912806 353105679 /nfs/dbraw/zinc/10/56/79/353105679.db2.gz OODHNEVQOHKFFB-LBPRGKRZSA-N 1 2 284.367 0.864 20 30 CCEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000274264888 353116320 /nfs/dbraw/zinc/11/63/20/353116320.db2.gz ORESWWXTJOFVMF-LBPRGKRZSA-N 1 2 287.323 0.878 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000152610778 188032470 /nfs/dbraw/zinc/03/24/70/188032470.db2.gz WLSJIPCCHPAZPD-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000152610778 188032471 /nfs/dbraw/zinc/03/24/71/188032471.db2.gz WLSJIPCCHPAZPD-ZDUSSCGKSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277379310 353240273 /nfs/dbraw/zinc/24/02/73/353240273.db2.gz HQBILLILYUOOBC-RLFDGXBXSA-N 1 2 258.387 0.378 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277379310 353240275 /nfs/dbraw/zinc/24/02/75/353240275.db2.gz HQBILLILYUOOBC-RLFDGXBXSA-N 1 2 258.387 0.378 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)[nH]1 ZINC000157001115 188291537 /nfs/dbraw/zinc/29/15/37/188291537.db2.gz DARPKRQKUQIKGX-ZDUSSCGKSA-N 1 2 288.351 0.823 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000280236442 353349191 /nfs/dbraw/zinc/34/91/91/353349191.db2.gz MUQBDXHCWVRXSY-UHFFFAOYSA-N 1 2 284.363 0.959 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000293339099 353805010 /nfs/dbraw/zinc/80/50/10/353805010.db2.gz YQVFPVJVWDAZEB-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000293339099 353805013 /nfs/dbraw/zinc/80/50/13/353805013.db2.gz YQVFPVJVWDAZEB-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000304128456 354106265 /nfs/dbraw/zinc/10/62/65/354106265.db2.gz AKQKSNJSOVQNOM-OLZOCXBDSA-N 1 2 259.309 0.541 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000304128456 354106271 /nfs/dbraw/zinc/10/62/71/354106271.db2.gz AKQKSNJSOVQNOM-OLZOCXBDSA-N 1 2 259.309 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000304128455 354106358 /nfs/dbraw/zinc/10/63/58/354106358.db2.gz AKQKSNJSOVQNOM-CHWSQXEVSA-N 1 2 259.309 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000304128455 354106362 /nfs/dbraw/zinc/10/63/62/354106362.db2.gz AKQKSNJSOVQNOM-CHWSQXEVSA-N 1 2 259.309 0.541 20 30 CCEDLO COC1C[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000336804624 355180850 /nfs/dbraw/zinc/18/08/50/355180850.db2.gz GYMLPYGTULBRQI-GFCCVEGCSA-N 1 2 262.309 0.629 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)[NH+]1C ZINC000339075640 355483844 /nfs/dbraw/zinc/48/38/44/355483844.db2.gz RCRFDHZZLKECPB-UWVGGRQHSA-N 1 2 283.353 0.864 20 30 CCEDLO N#CCNC(=O)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343526171 355773635 /nfs/dbraw/zinc/77/36/35/355773635.db2.gz YLHBERSBPQWASY-UHFFFAOYSA-N 1 2 297.318 0.301 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4C(=O)NC[C@H]43)n2c1 ZINC000342848251 355758419 /nfs/dbraw/zinc/75/84/19/355758419.db2.gz AGXGZGNWWMIHFI-UONOGXRCSA-N 1 2 295.346 0.916 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]4C(=O)NC[C@H]43)n2c1 ZINC000342848251 355758423 /nfs/dbraw/zinc/75/84/23/355758423.db2.gz AGXGZGNWWMIHFI-UONOGXRCSA-N 1 2 295.346 0.916 20 30 CCEDLO CNC(=O)[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352811828 356086951 /nfs/dbraw/zinc/08/69/51/356086951.db2.gz UVOVRDZFDYVABK-SNVBAGLBSA-N 1 2 252.343 0.875 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@H+](CCOCCO)CCO2)c1 ZINC000361180577 138024081 /nfs/dbraw/zinc/02/40/81/138024081.db2.gz WHOXMDAIIHMCBD-OAHLLOKOSA-N 1 2 276.336 0.940 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOCCO)CCO2)c1 ZINC000361180577 138024082 /nfs/dbraw/zinc/02/40/82/138024082.db2.gz WHOXMDAIIHMCBD-OAHLLOKOSA-N 1 2 276.336 0.940 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2nccnc2C#N)CCO1 ZINC000362661018 138068151 /nfs/dbraw/zinc/06/81/51/138068151.db2.gz BWINHWPQZQUHSF-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2nccnc2C#N)CCO1 ZINC000362661018 138068152 /nfs/dbraw/zinc/06/81/52/138068152.db2.gz BWINHWPQZQUHSF-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271551393 283187023 /nfs/dbraw/zinc/18/70/23/283187023.db2.gz LNOLZIYSSLAJGP-STQMWFEESA-N 1 2 291.376 0.494 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271551393 283187028 /nfs/dbraw/zinc/18/70/28/283187028.db2.gz LNOLZIYSSLAJGP-STQMWFEESA-N 1 2 291.376 0.494 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002185 363531519 /nfs/dbraw/zinc/53/15/19/363531519.db2.gz JVFMPGUAVBANBK-VIFPVBQESA-N 1 2 279.262 0.669 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002185 363531523 /nfs/dbraw/zinc/53/15/23/363531523.db2.gz JVFMPGUAVBANBK-VIFPVBQESA-N 1 2 279.262 0.669 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000609921388 363529810 /nfs/dbraw/zinc/52/98/10/363529810.db2.gz PQCLDXHCFGVIMQ-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CCN(CC#N)CC3)[nH+]c12 ZINC000610112798 363537317 /nfs/dbraw/zinc/53/73/17/363537317.db2.gz WWNULPAUJAMSJF-UHFFFAOYSA-N 1 2 297.362 0.853 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000619720344 366340900 /nfs/dbraw/zinc/34/09/00/366340900.db2.gz DBOGDNDVFSHJEU-LBPRGKRZSA-N 1 2 269.341 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000619720344 366340908 /nfs/dbraw/zinc/34/09/08/366340908.db2.gz DBOGDNDVFSHJEU-LBPRGKRZSA-N 1 2 269.341 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000619720034 366341575 /nfs/dbraw/zinc/34/15/75/366341575.db2.gz VDLGJHCQVSCNOO-LBPRGKRZSA-N 1 2 281.356 0.594 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000619716539 366333443 /nfs/dbraw/zinc/33/34/43/366333443.db2.gz SWHWNJWFPFIWRV-LLVKDONJSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCOC)CC1 ZINC000619716076 366334313 /nfs/dbraw/zinc/33/43/13/366334313.db2.gz NQIZOSUVVINFNP-LBPRGKRZSA-N 1 2 284.356 0.189 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000360016835 356936281 /nfs/dbraw/zinc/93/62/81/356936281.db2.gz OQRUKIYOGKENBZ-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCc3[nH+]ccn3C2)[nH]n1CCC#N ZINC000364928846 357132330 /nfs/dbraw/zinc/13/23/30/357132330.db2.gz GTDCDCJEPZYFII-LBPRGKRZSA-N 1 2 298.350 0.925 20 30 CCEDLO C=CCN1CC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000368117088 357323300 /nfs/dbraw/zinc/32/33/00/357323300.db2.gz WMNUPLKCWMKBFC-SECBINFHSA-N 1 2 260.297 0.717 20 30 CCEDLO C=CCN1CC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000368117088 357323303 /nfs/dbraw/zinc/32/33/03/357323303.db2.gz WMNUPLKCWMKBFC-SECBINFHSA-N 1 2 260.297 0.717 20 30 CCEDLO N#CC1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCCC1 ZINC000368996872 357339856 /nfs/dbraw/zinc/33/98/56/357339856.db2.gz ZSBCPKAULKHOKA-UHFFFAOYSA-N 1 2 278.356 0.090 20 30 CCEDLO N#CC1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCCC1 ZINC000368996872 357339858 /nfs/dbraw/zinc/33/98/58/357339858.db2.gz ZSBCPKAULKHOKA-UHFFFAOYSA-N 1 2 278.356 0.090 20 30 CCEDLO COC(=O)N1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000496886799 358328397 /nfs/dbraw/zinc/32/83/97/358328397.db2.gz CEDXMJBDAURFAL-SMDDNHRTSA-N 1 2 296.371 0.425 20 30 CCEDLO CCN1CCN(c2cncc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000568623344 358690156 /nfs/dbraw/zinc/69/01/56/358690156.db2.gz RLSPNUMRKJGVDE-GFCCVEGCSA-N 1 2 283.339 0.955 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000568707061 358697867 /nfs/dbraw/zinc/69/78/67/358697867.db2.gz ARIPRCKEPWPFOR-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000568707061 358697868 /nfs/dbraw/zinc/69/78/68/358697868.db2.gz ARIPRCKEPWPFOR-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000571916200 358927068 /nfs/dbraw/zinc/92/70/68/358927068.db2.gz VUROVKYZULBBHO-YPMHNXCESA-N 1 2 270.398 0.885 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000571916200 358927072 /nfs/dbraw/zinc/92/70/72/358927072.db2.gz VUROVKYZULBBHO-YPMHNXCESA-N 1 2 270.398 0.885 20 30 CCEDLO C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CC[N@@H+]1CCO ZINC000572108014 358927865 /nfs/dbraw/zinc/92/78/65/358927865.db2.gz VJWGWSJTWYYMSY-XJKSGUPXSA-N 1 2 291.395 0.985 20 30 CCEDLO C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CC[N@H+]1CCO ZINC000572108014 358927872 /nfs/dbraw/zinc/92/78/72/358927872.db2.gz VJWGWSJTWYYMSY-XJKSGUPXSA-N 1 2 291.395 0.985 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000573359320 358959737 /nfs/dbraw/zinc/95/97/37/358959737.db2.gz UWCOHFKRIPFRNV-QWRGUYRKSA-N 1 2 257.359 0.843 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000574044336 359023043 /nfs/dbraw/zinc/02/30/43/359023043.db2.gz DQLFKRPLPDZHRK-GXFFZTMASA-N 1 2 266.345 0.005 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000588215898 359319051 /nfs/dbraw/zinc/31/90/51/359319051.db2.gz GTSRIZQPHOWCTB-OLZOCXBDSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000588215898 359319054 /nfs/dbraw/zinc/31/90/54/359319054.db2.gz GTSRIZQPHOWCTB-OLZOCXBDSA-N 1 2 268.357 0.952 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000588765796 359336269 /nfs/dbraw/zinc/33/62/69/359336269.db2.gz IVHOSRKEJVIXRS-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO N#CC1(CC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000590345317 359442778 /nfs/dbraw/zinc/44/27/78/359442778.db2.gz CYWUJTRHTCPZIJ-UHFFFAOYSA-N 1 2 263.341 0.661 20 30 CCEDLO N#Cc1ccc(CNC(=O)CN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590601361 359496599 /nfs/dbraw/zinc/49/65/99/359496599.db2.gz SXWRZFHCDPODOR-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO Cc1cc(CNC[C@@H](O)C[N@H+](C)CCC#N)no1 ZINC000591728494 359648981 /nfs/dbraw/zinc/64/89/81/359648981.db2.gz MSUYOKAKKZIZHA-GFCCVEGCSA-N 1 2 252.318 0.279 20 30 CCEDLO Cc1cc(CNC[C@@H](O)C[N@@H+](C)CCC#N)no1 ZINC000591728494 359648984 /nfs/dbraw/zinc/64/89/84/359648984.db2.gz MSUYOKAKKZIZHA-GFCCVEGCSA-N 1 2 252.318 0.279 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000591977066 359717855 /nfs/dbraw/zinc/71/78/55/359717855.db2.gz SINAILUKJBFFOE-ZDUSSCGKSA-N 1 2 270.296 0.517 20 30 CCEDLO N#CC[C@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000591973702 359715468 /nfs/dbraw/zinc/71/54/68/359715468.db2.gz FGKQEWRZLFASQI-JTQLQIEISA-N 1 2 253.693 0.567 20 30 CCEDLO N#CC[C@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000591973702 359715471 /nfs/dbraw/zinc/71/54/71/359715471.db2.gz FGKQEWRZLFASQI-JTQLQIEISA-N 1 2 253.693 0.567 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000592147701 359766002 /nfs/dbraw/zinc/76/60/02/359766002.db2.gz RKLHAXWQQCVIDP-HNNXBMFYSA-N 1 2 273.336 0.653 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000592147701 359766005 /nfs/dbraw/zinc/76/60/05/359766005.db2.gz RKLHAXWQQCVIDP-HNNXBMFYSA-N 1 2 273.336 0.653 20 30 CCEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000611175452 363671764 /nfs/dbraw/zinc/67/17/64/363671764.db2.gz CPXUPULIAISPAC-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO N#CCCN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611175534 363671786 /nfs/dbraw/zinc/67/17/86/363671786.db2.gz HHZQTNGNGMLHQV-UHFFFAOYSA-N 1 2 255.325 0.985 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(CCC#N)CC1)C1CC1 ZINC000611175952 363672142 /nfs/dbraw/zinc/67/21/42/363672142.db2.gz QFVQXDWGZPWXPC-UHFFFAOYSA-N 1 2 250.346 0.138 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@H]21 ZINC000329517700 202370170 /nfs/dbraw/zinc/37/01/70/202370170.db2.gz DUZLIPKNTWFHTE-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@H]21 ZINC000329517700 202370172 /nfs/dbraw/zinc/37/01/72/202370172.db2.gz DUZLIPKNTWFHTE-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298006012 200316173 /nfs/dbraw/zinc/31/61/73/200316173.db2.gz JJOVQWGDBXISSS-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(C(F)F)n1 ZINC000593154874 360048195 /nfs/dbraw/zinc/04/81/95/360048195.db2.gz OESOAMMWHPCZMQ-LLVKDONJSA-N 1 2 271.271 0.852 20 30 CCEDLO CCCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000593154979 360048734 /nfs/dbraw/zinc/04/87/34/360048734.db2.gz SSKXENIXELIELP-LBPRGKRZSA-N 1 2 264.333 0.262 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCC(F)(F)F ZINC000593155217 360048821 /nfs/dbraw/zinc/04/88/21/360048821.db2.gz BNSWACGDARPRRV-VIFPVBQESA-N 1 2 267.251 0.525 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097500 360035989 /nfs/dbraw/zinc/03/59/89/360035989.db2.gz MOUMOWUBYCABCF-DEFUNYHZSA-N 1 2 283.397 0.200 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593097500 360035992 /nfs/dbraw/zinc/03/59/92/360035992.db2.gz MOUMOWUBYCABCF-DEFUNYHZSA-N 1 2 283.397 0.200 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000593418171 360084766 /nfs/dbraw/zinc/08/47/66/360084766.db2.gz GHXSTJIYCWARCJ-JSGCOSHPSA-N 1 2 297.424 0.860 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000593659199 360129216 /nfs/dbraw/zinc/12/92/16/360129216.db2.gz ZUNOYCPTSLMEIZ-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000593940762 360220557 /nfs/dbraw/zinc/22/05/57/360220557.db2.gz AYEMDXXWIIFGOZ-UHFFFAOYSA-N 1 2 287.367 0.159 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C(=O)OC ZINC000594710366 360364245 /nfs/dbraw/zinc/36/42/45/360364245.db2.gz ICZCSTBUBNYSFL-WOPDTQHZSA-N 1 2 256.346 0.413 20 30 CCEDLO C=C[C@H](NCC[N@H+]1C[C@H](C)OC[C@H]1C)C(=O)OC ZINC000594710366 360364249 /nfs/dbraw/zinc/36/42/49/360364249.db2.gz ICZCSTBUBNYSFL-WOPDTQHZSA-N 1 2 256.346 0.413 20 30 CCEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1(C#N)CC1 ZINC000594794504 360384257 /nfs/dbraw/zinc/38/42/57/360384257.db2.gz MMTOGNOGNAJTAX-UHFFFAOYSA-N 1 2 254.315 0.475 20 30 CCEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1(C#N)CC1 ZINC000594794504 360384261 /nfs/dbraw/zinc/38/42/61/360384261.db2.gz MMTOGNOGNAJTAX-UHFFFAOYSA-N 1 2 254.315 0.475 20 30 CCEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(F)F)c1=O ZINC000594901822 360412576 /nfs/dbraw/zinc/41/25/76/360412576.db2.gz FDZBHOVRHPBWRB-UHFFFAOYSA-N 1 2 283.278 0.817 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594967440 360427982 /nfs/dbraw/zinc/42/79/82/360427982.db2.gz ZIQABXWNBWZJKY-WDEREUQCSA-N 1 2 270.310 0.053 20 30 CCEDLO N#CCCN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595391173 360516362 /nfs/dbraw/zinc/51/63/62/360516362.db2.gz FVLSITHRFSMHGM-SOUVJXGZSA-N 1 2 290.411 0.965 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552168 360577142 /nfs/dbraw/zinc/57/71/42/360577142.db2.gz PBRBMCLCWXRFIQ-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552168 360577144 /nfs/dbraw/zinc/57/71/44/360577144.db2.gz PBRBMCLCWXRFIQ-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595488222 360548828 /nfs/dbraw/zinc/54/88/28/360548828.db2.gz FLQCFSLQXCXUJO-UHFFFAOYSA-N 1 2 283.339 0.864 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595757667 360642445 /nfs/dbraw/zinc/64/24/45/360642445.db2.gz OZVFHGJTMBDVAE-GZBFAFLISA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595757667 360642450 /nfs/dbraw/zinc/64/24/50/360642450.db2.gz OZVFHGJTMBDVAE-GZBFAFLISA-N 1 2 271.320 0.541 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835275 360672875 /nfs/dbraw/zinc/67/28/75/360672875.db2.gz QCZFKMWLQWIXQJ-BZPMIXESSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835275 360672880 /nfs/dbraw/zinc/67/28/80/360672880.db2.gz QCZFKMWLQWIXQJ-BZPMIXESSA-N 1 2 265.357 0.906 20 30 CCEDLO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835934 360673116 /nfs/dbraw/zinc/67/31/16/360673116.db2.gz VTTHXQWJTZZTGX-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835934 360673122 /nfs/dbraw/zinc/67/31/22/360673122.db2.gz VTTHXQWJTZZTGX-AAEUAGOBSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836180 360674859 /nfs/dbraw/zinc/67/48/59/360674859.db2.gz XCIXAPNVJVGFGW-GXFFZTMASA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836180 360674861 /nfs/dbraw/zinc/67/48/61/360674861.db2.gz XCIXAPNVJVGFGW-GXFFZTMASA-N 1 2 264.329 0.622 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840823 360676011 /nfs/dbraw/zinc/67/60/11/360676011.db2.gz GBPWZDNUEGDXIR-SWLSCSKDSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840823 360676014 /nfs/dbraw/zinc/67/60/14/360676014.db2.gz GBPWZDNUEGDXIR-SWLSCSKDSA-N 1 2 293.367 0.776 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000596101631 360795544 /nfs/dbraw/zinc/79/55/44/360795544.db2.gz JFMMDDCKWBKUBE-NSHDSACASA-N 1 2 275.356 0.465 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000596101631 360795549 /nfs/dbraw/zinc/79/55/49/360795549.db2.gz JFMMDDCKWBKUBE-NSHDSACASA-N 1 2 275.356 0.465 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cnc(C#N)cn2)[C@H](C)CO1 ZINC000596426879 360890673 /nfs/dbraw/zinc/89/06/73/360890673.db2.gz CNLNWOMGUHFVOC-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cnc(C#N)cn2)[C@H](C)CO1 ZINC000596426879 360890678 /nfs/dbraw/zinc/89/06/78/360890678.db2.gz CNLNWOMGUHFVOC-GHMZBOCLSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000596651671 360936807 /nfs/dbraw/zinc/93/68/07/360936807.db2.gz GBUZUCIETXYBRL-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)C3CC3)CC2)cc1 ZINC000596659422 360938525 /nfs/dbraw/zinc/93/85/25/360938525.db2.gz YUGJJNKWGPPJJI-MRXNPFEDSA-N 1 2 299.374 0.973 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640239 361170066 /nfs/dbraw/zinc/17/00/66/361170066.db2.gz JEUWHGHLMGFBFZ-RYUDHWBXSA-N 1 2 291.355 0.948 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640239 361170068 /nfs/dbraw/zinc/17/00/68/361170068.db2.gz JEUWHGHLMGFBFZ-RYUDHWBXSA-N 1 2 291.355 0.948 20 30 CCEDLO CC(C)(C#N)CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597623870 361165552 /nfs/dbraw/zinc/16/55/52/361165552.db2.gz CTQPXHYPIFTQMH-GFCCVEGCSA-N 1 2 264.373 0.432 20 30 CCEDLO CC(C)(C#N)CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597623870 361165554 /nfs/dbraw/zinc/16/55/54/361165554.db2.gz CTQPXHYPIFTQMH-GFCCVEGCSA-N 1 2 264.373 0.432 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000597994072 361302074 /nfs/dbraw/zinc/30/20/74/361302074.db2.gz IINDSANWBDVOGD-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000597994072 361302078 /nfs/dbraw/zinc/30/20/78/361302078.db2.gz IINDSANWBDVOGD-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)CC(C)(C)C#N ZINC000598591799 361452499 /nfs/dbraw/zinc/45/24/99/361452499.db2.gz BYTPEOWXHXVGAE-NSHDSACASA-N 1 2 277.372 0.957 20 30 CCEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)CC(C)(C)C#N ZINC000598591799 361452502 /nfs/dbraw/zinc/45/25/02/361452502.db2.gz BYTPEOWXHXVGAE-NSHDSACASA-N 1 2 277.372 0.957 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000598600657 361456664 /nfs/dbraw/zinc/45/66/64/361456664.db2.gz PHFXQCPHMRYHOF-VHSXEESVSA-N 1 2 271.386 0.190 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000598600657 361456666 /nfs/dbraw/zinc/45/66/66/361456666.db2.gz PHFXQCPHMRYHOF-VHSXEESVSA-N 1 2 271.386 0.190 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncoc1-c1ccon1 ZINC000598836449 361523824 /nfs/dbraw/zinc/52/38/24/361523824.db2.gz JJNVPYKEGJFTBD-CYBMUJFWSA-N 1 2 289.295 0.903 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000599060417 361562861 /nfs/dbraw/zinc/56/28/61/361562861.db2.gz SOMSZPCKHLCPFU-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000599060417 361562866 /nfs/dbraw/zinc/56/28/66/361562866.db2.gz SOMSZPCKHLCPFU-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161825 363858583 /nfs/dbraw/zinc/85/85/83/363858583.db2.gz FOTHLVDDJNFWPL-GFCCVEGCSA-N 1 2 273.402 0.941 20 30 CCEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161825 363858586 /nfs/dbraw/zinc/85/85/86/363858586.db2.gz FOTHLVDDJNFWPL-GFCCVEGCSA-N 1 2 273.402 0.941 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@](C)(C#N)C2)nn1 ZINC000612166773 363858607 /nfs/dbraw/zinc/85/86/07/363858607.db2.gz RRHWCRMXTPEDHI-CQSZACIVSA-N 1 2 291.355 0.619 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CCC[C@](C)(C#N)C2)nn1 ZINC000612166773 363858611 /nfs/dbraw/zinc/85/86/11/363858611.db2.gz RRHWCRMXTPEDHI-CQSZACIVSA-N 1 2 291.355 0.619 20 30 CCEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000612166418 363858705 /nfs/dbraw/zinc/85/87/05/363858705.db2.gz RCIFTLKTURGGDY-LBPRGKRZSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000612166418 363858709 /nfs/dbraw/zinc/85/87/09/363858709.db2.gz RCIFTLKTURGGDY-LBPRGKRZSA-N 1 2 250.302 0.164 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613676075 364336965 /nfs/dbraw/zinc/33/69/65/364336965.db2.gz WMWFEUCKIQPDKU-STQMWFEESA-N 1 2 290.367 0.785 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000614719310 364709048 /nfs/dbraw/zinc/70/90/48/364709048.db2.gz WNEXXLRCLGWSQB-DYEKYZERSA-N 1 2 268.357 0.245 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC000615539893 364997654 /nfs/dbraw/zinc/99/76/54/364997654.db2.gz LRXIDYIWTYJCQW-OUCADQQQSA-N 1 2 298.362 0.743 20 30 CCEDLO COCCN(CCC#N)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000616016040 365157369 /nfs/dbraw/zinc/15/73/69/365157369.db2.gz ZAUKXPCFBJTFSU-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO COCCN(CCC#N)CC[N@H+]1CCO[C@@H](C)C1 ZINC000616016040 365157374 /nfs/dbraw/zinc/15/73/74/365157374.db2.gz ZAUKXPCFBJTFSU-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO COCCN(CCC#N)CC[N@@H+]1CCO[C@H](C)C1 ZINC000616016036 365157403 /nfs/dbraw/zinc/15/74/03/365157403.db2.gz ZAUKXPCFBJTFSU-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO COCCN(CCC#N)CC[N@H+]1CCO[C@H](C)C1 ZINC000616016036 365157406 /nfs/dbraw/zinc/15/74/06/365157406.db2.gz ZAUKXPCFBJTFSU-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616099870 365177600 /nfs/dbraw/zinc/17/76/00/365177600.db2.gz DVVZSSZIFJQLEO-MNOVXSKESA-N 1 2 263.341 0.958 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616099870 365177607 /nfs/dbraw/zinc/17/76/07/365177607.db2.gz DVVZSSZIFJQLEO-MNOVXSKESA-N 1 2 263.341 0.958 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616506098 365347849 /nfs/dbraw/zinc/34/78/49/365347849.db2.gz RQOLMTDDFWXWJJ-QJPTWQEYSA-N 1 2 261.325 0.414 20 30 CCEDLO C=C[C@@H](O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616509376 365348200 /nfs/dbraw/zinc/34/82/00/365348200.db2.gz ZTZOLJXOLYCPGT-GFCCVEGCSA-N 1 2 259.309 0.848 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616863921 365463095 /nfs/dbraw/zinc/46/30/95/365463095.db2.gz YTIYIKWANMOLTJ-WFASDCNBSA-N 1 2 295.383 0.923 20 30 CCEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1N ZINC000565222137 291362973 /nfs/dbraw/zinc/36/29/73/291362973.db2.gz NBKSSIHWNMEOOP-UHFFFAOYSA-N 1 2 283.339 0.581 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623292499 367516634 /nfs/dbraw/zinc/51/66/34/367516634.db2.gz QAQKMUAISRLXIF-LBPRGKRZSA-N 1 2 273.340 0.034 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3cnc(N)nc3C2)C1=O ZINC000623292499 367516639 /nfs/dbraw/zinc/51/66/39/367516639.db2.gz QAQKMUAISRLXIF-LBPRGKRZSA-N 1 2 273.340 0.034 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631639110 370620791 /nfs/dbraw/zinc/62/07/91/370620791.db2.gz WBDYWAKVRWBHIZ-GFCCVEGCSA-N 1 2 274.386 0.321 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631639110 370620794 /nfs/dbraw/zinc/62/07/94/370620794.db2.gz WBDYWAKVRWBHIZ-GFCCVEGCSA-N 1 2 274.386 0.321 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898351 371771511 /nfs/dbraw/zinc/77/15/11/371771511.db2.gz DUKOXCZAJDZHLG-MRXNPFEDSA-N 1 2 290.363 0.973 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634509137 372066811 /nfs/dbraw/zinc/06/68/11/372066811.db2.gz YXGXIUUMJCASRI-OAHLLOKOSA-N 1 2 290.367 0.100 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC000635892301 373061690 /nfs/dbraw/zinc/06/16/90/373061690.db2.gz WPFUISCFBYSKIC-WZRBSPASSA-N 1 2 288.351 0.759 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC000635892301 373061693 /nfs/dbraw/zinc/06/16/93/373061693.db2.gz WPFUISCFBYSKIC-WZRBSPASSA-N 1 2 288.351 0.759 20 30 CCEDLO N#Cc1nc(NC(=O)CC[C@H]2CC[NH2+]C2)[nH]c1C#N ZINC000568863927 291628987 /nfs/dbraw/zinc/62/89/87/291628987.db2.gz MCAPCWNJMYZKBG-QMMMGPOBSA-N 1 2 258.285 0.481 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000640793145 376546307 /nfs/dbraw/zinc/54/63/07/376546307.db2.gz BBGSHUUZRSFHDI-UHFFFAOYSA-N 1 2 295.387 0.127 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000640793145 376546312 /nfs/dbraw/zinc/54/63/12/376546312.db2.gz BBGSHUUZRSFHDI-UHFFFAOYSA-N 1 2 295.387 0.127 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)ccn2)nn1 ZINC000641030787 376686060 /nfs/dbraw/zinc/68/60/60/376686060.db2.gz KEVWJENDKXXBHF-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO C=CCN1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1=O ZINC000641108821 376790288 /nfs/dbraw/zinc/79/02/88/376790288.db2.gz MVZBZJMXVPKDOB-ZDUSSCGKSA-N 1 2 273.340 0.350 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc([C@@H](C)OC)no2)nn1 ZINC000641142765 376804454 /nfs/dbraw/zinc/80/44/54/376804454.db2.gz XOGCGPHXXPJGBS-SNVBAGLBSA-N 1 2 290.327 0.530 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C(F)F)no2)nn1 ZINC000641180388 376852862 /nfs/dbraw/zinc/85/28/62/376852862.db2.gz VVYAUWRZSUXBKT-UHFFFAOYSA-N 1 2 282.254 0.760 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCCc2nc(C)no2)nn1 ZINC000641187503 376864075 /nfs/dbraw/zinc/86/40/75/376864075.db2.gz MWWPJXMXOWLAMK-UHFFFAOYSA-N 1 2 274.328 0.715 20 30 CCEDLO COC(=O)C1(C)C[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518187766 249242114 /nfs/dbraw/zinc/24/21/14/249242114.db2.gz IDXHKTIIVLSOOF-UHFFFAOYSA-N 1 2 285.307 0.596 20 30 CCEDLO N#Cc1ccc(Br)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278665058 194092510 /nfs/dbraw/zinc/09/25/10/194092510.db2.gz HXNOYESMVSCTNF-RYUDHWBXSA-N 1 2 297.152 0.858 20 30 CCEDLO CO[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289463203 197358953 /nfs/dbraw/zinc/35/89/53/197358953.db2.gz QHPRWBVAKYRLQA-LLVKDONJSA-N 1 2 297.380 0.694 20 30 CCEDLO CO[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289463203 197358955 /nfs/dbraw/zinc/35/89/55/197358955.db2.gz QHPRWBVAKYRLQA-LLVKDONJSA-N 1 2 297.380 0.694 20 30 CCEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)COC)CC2)cc1 ZINC000278989787 194242484 /nfs/dbraw/zinc/24/24/84/194242484.db2.gz QGDWBTUPGJUGNF-UHFFFAOYSA-N 1 2 272.348 0.959 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cncnc1 ZINC000329229487 227366283 /nfs/dbraw/zinc/36/62/83/227366283.db2.gz CRLUXJUEAVUYGM-AAEUAGOBSA-N 1 2 291.355 0.817 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)nn1 ZINC000657360295 412970935 /nfs/dbraw/zinc/97/09/35/412970935.db2.gz BADRHLWVSBKDHG-NSHDSACASA-N 1 2 286.401 0.767 20 30 CCEDLO COc1ccnc(C[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000424186879 533054905 /nfs/dbraw/zinc/05/49/05/533054905.db2.gz IBANSGCDHBLOGF-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC#CCO ZINC000282804299 388757168 /nfs/dbraw/zinc/75/71/68/388757168.db2.gz ASTQXORSYCYTOP-UHFFFAOYSA-N 1 2 257.293 0.457 20 30 CCEDLO CCOCC[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111345621 262259977 /nfs/dbraw/zinc/25/99/77/262259977.db2.gz HDRQLOBBDNLTAV-UHFFFAOYSA-N 1 2 289.401 0.274 20 30 CCEDLO C#CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183723902 388762742 /nfs/dbraw/zinc/76/27/42/388762742.db2.gz BKCWQQBMFISIAJ-UHFFFAOYSA-N 1 2 259.313 0.250 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000284847508 388785094 /nfs/dbraw/zinc/78/50/94/388785094.db2.gz LNVNGLPSSWWDTC-GFCCVEGCSA-N 1 2 287.367 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000284847508 388785095 /nfs/dbraw/zinc/78/50/95/388785095.db2.gz LNVNGLPSSWWDTC-GFCCVEGCSA-N 1 2 287.367 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000284847508 388785100 /nfs/dbraw/zinc/78/51/00/388785100.db2.gz LNVNGLPSSWWDTC-GFCCVEGCSA-N 1 2 287.367 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C3CC3)nc2N)CC1 ZINC000287461339 388852620 /nfs/dbraw/zinc/85/26/20/388852620.db2.gz HEWVDNATWZPYNT-UHFFFAOYSA-N 1 2 299.378 0.717 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)OC)cc1 ZINC000289228446 388868235 /nfs/dbraw/zinc/86/82/35/388868235.db2.gz YJHAFXKUTQGJAX-AWEZNQCLSA-N 1 2 286.331 0.531 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)OC)cc1 ZINC000289228446 388868239 /nfs/dbraw/zinc/86/82/39/388868239.db2.gz YJHAFXKUTQGJAX-AWEZNQCLSA-N 1 2 286.331 0.531 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCNC2=O)n1 ZINC000289396880 388869827 /nfs/dbraw/zinc/86/98/27/388869827.db2.gz KPXFUHDZCUWLSS-UHFFFAOYSA-N 1 2 275.356 0.363 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCNC2=O)n1 ZINC000289396880 388869829 /nfs/dbraw/zinc/86/98/29/388869829.db2.gz KPXFUHDZCUWLSS-UHFFFAOYSA-N 1 2 275.356 0.363 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286956834 388847523 /nfs/dbraw/zinc/84/75/23/388847523.db2.gz OSBSAJTWWWCGEJ-ZWNOBZJWSA-N 1 2 287.335 0.183 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286956834 388847527 /nfs/dbraw/zinc/84/75/27/388847527.db2.gz OSBSAJTWWWCGEJ-ZWNOBZJWSA-N 1 2 287.335 0.183 20 30 CCEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000066566772 388945691 /nfs/dbraw/zinc/94/56/91/388945691.db2.gz QZPHMRSGPHYWSP-KBPBESRZSA-N 1 2 278.400 0.822 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000293090707 388978749 /nfs/dbraw/zinc/97/87/49/388978749.db2.gz KHAGZHALJJGUCU-CYBMUJFWSA-N 1 2 265.357 0.069 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000293090707 388978750 /nfs/dbraw/zinc/97/87/50/388978750.db2.gz KHAGZHALJJGUCU-CYBMUJFWSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnnn2CC)CC1 ZINC000293312581 388981947 /nfs/dbraw/zinc/98/19/47/388981947.db2.gz FNAAZGAJZJRUED-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000074755799 388982075 /nfs/dbraw/zinc/98/20/75/388982075.db2.gz FRIITCICIIOQMO-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000074755799 388982077 /nfs/dbraw/zinc/98/20/77/388982077.db2.gz FRIITCICIIOQMO-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000293505643 388983935 /nfs/dbraw/zinc/98/39/35/388983935.db2.gz HRORNEBCKXKUBD-LLVKDONJSA-N 1 2 294.355 0.785 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000293866352 388988038 /nfs/dbraw/zinc/98/80/38/388988038.db2.gz SHQMYMMJUSDBIR-HNNXBMFYSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000293866352 388988043 /nfs/dbraw/zinc/98/80/43/388988043.db2.gz SHQMYMMJUSDBIR-HNNXBMFYSA-N 1 2 285.347 0.299 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000078954958 388992239 /nfs/dbraw/zinc/99/22/39/388992239.db2.gz KLTLKEMWVLYZOF-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000078954958 388992242 /nfs/dbraw/zinc/99/22/42/388992242.db2.gz KLTLKEMWVLYZOF-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155478 388994017 /nfs/dbraw/zinc/99/40/17/388994017.db2.gz FYCWKTPGQCVEIZ-WDEREUQCSA-N 1 2 291.355 0.412 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155478 388994021 /nfs/dbraw/zinc/99/40/21/388994021.db2.gz FYCWKTPGQCVEIZ-WDEREUQCSA-N 1 2 291.355 0.412 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C(C)(C)C(N)=O ZINC000295376160 389004952 /nfs/dbraw/zinc/00/49/52/389004952.db2.gz AIDXQFMPBJKDHE-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C(C)(C)C(N)=O ZINC000295376160 389004955 /nfs/dbraw/zinc/00/49/55/389004955.db2.gz AIDXQFMPBJKDHE-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO CC(C)(C#N)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000355267885 389047708 /nfs/dbraw/zinc/04/77/08/389047708.db2.gz MNPSZTHLHCYLOP-UHFFFAOYSA-N 1 2 283.372 0.079 20 30 CCEDLO N#Cc1ccc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)nn1 ZINC000301830229 389059672 /nfs/dbraw/zinc/05/96/72/389059672.db2.gz HLECGHISIHEOPT-UHFFFAOYSA-N 1 2 295.306 0.423 20 30 CCEDLO CC[N@H+](CCC#N)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000304734519 389082874 /nfs/dbraw/zinc/08/28/74/389082874.db2.gz RVXLRVDVRXGDKW-IHRRRGAJSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000304734519 389082877 /nfs/dbraw/zinc/08/28/77/389082877.db2.gz RVXLRVDVRXGDKW-IHRRRGAJSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@H+](CCC#N)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304734523 389082959 /nfs/dbraw/zinc/08/29/59/389082959.db2.gz RVXLRVDVRXGDKW-MJBXVCDLSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304734523 389082962 /nfs/dbraw/zinc/08/29/62/389082962.db2.gz RVXLRVDVRXGDKW-MJBXVCDLSA-N 1 2 269.389 0.692 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000092936161 389033661 /nfs/dbraw/zinc/03/36/61/389033661.db2.gz WYIXNBOWJSYBGZ-UHFFFAOYSA-N 1 2 256.313 0.370 20 30 CCEDLO C[C@@H]1Cc2ccccc2N1C(=O)CO[NH+]=C(N)CCO ZINC000121309059 389147025 /nfs/dbraw/zinc/14/70/25/389147025.db2.gz KZPRPOAPXNSPHH-SNVBAGLBSA-N 1 2 277.324 0.635 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000107595564 389097390 /nfs/dbraw/zinc/09/73/90/389097390.db2.gz LTOCTIGJWAIKFP-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1=O ZINC000328952917 389147401 /nfs/dbraw/zinc/14/74/01/389147401.db2.gz ICPDUQQCLPXIIL-XQLPTFJDSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1=O ZINC000328952917 389147404 /nfs/dbraw/zinc/14/74/04/389147404.db2.gz ICPDUQQCLPXIIL-XQLPTFJDSA-N 1 2 294.395 0.635 20 30 CCEDLO N#CCCOCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000339010370 389121165 /nfs/dbraw/zinc/12/11/65/389121165.db2.gz MFXCCBCTSBYPCV-UHFFFAOYSA-N 1 2 280.372 0.465 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCOCCC#N ZINC000339048439 389123319 /nfs/dbraw/zinc/12/33/19/389123319.db2.gz WKJGSSXTBQOTBS-NWDGAFQWSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCOCCC#N ZINC000339048439 389123322 /nfs/dbraw/zinc/12/33/22/389123322.db2.gz WKJGSSXTBQOTBS-NWDGAFQWSA-N 1 2 298.339 0.343 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000339078012 389124367 /nfs/dbraw/zinc/12/43/67/389124367.db2.gz CNGHFKAEMNYZGA-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000339078012 389124369 /nfs/dbraw/zinc/12/43/69/389124369.db2.gz CNGHFKAEMNYZGA-RYUDHWBXSA-N 1 2 257.330 0.841 20 30 CCEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCOCCC#N ZINC000339078358 389124756 /nfs/dbraw/zinc/12/47/56/389124756.db2.gz UNZHCBXWRQFDPZ-VXGBXAGGSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCOCCC#N ZINC000339078358 389124760 /nfs/dbraw/zinc/12/47/60/389124760.db2.gz UNZHCBXWRQFDPZ-VXGBXAGGSA-N 1 2 270.329 0.569 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000216392466 389133814 /nfs/dbraw/zinc/13/38/14/389133814.db2.gz SLPNSWKMFQKSBN-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000216392466 389133817 /nfs/dbraw/zinc/13/38/17/389133817.db2.gz SLPNSWKMFQKSBN-DGCLKSJQSA-N 1 2 289.335 0.118 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1cn2c(n1)CCCC2 ZINC000328730039 389134167 /nfs/dbraw/zinc/13/41/67/389134167.db2.gz WIEGGDQTYXCPHM-UHFFFAOYSA-N 1 2 278.356 0.856 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000339753972 389138681 /nfs/dbraw/zinc/13/86/81/389138681.db2.gz LZNKYVOZAHFGLB-UHFFFAOYSA-N 1 2 289.379 0.879 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000339753972 389138684 /nfs/dbraw/zinc/13/86/84/389138684.db2.gz LZNKYVOZAHFGLB-UHFFFAOYSA-N 1 2 289.379 0.879 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000339754211 389138965 /nfs/dbraw/zinc/13/89/65/389138965.db2.gz NHETXMYHLKHBFO-UHFFFAOYSA-N 1 2 267.373 0.315 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000339754211 389138969 /nfs/dbraw/zinc/13/89/69/389138969.db2.gz NHETXMYHLKHBFO-UHFFFAOYSA-N 1 2 267.373 0.315 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC000328795425 389139053 /nfs/dbraw/zinc/13/90/53/389139053.db2.gz TZUZQMALXBBQFD-OCCSQVGLSA-N 1 2 269.389 0.740 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC000328795425 389139056 /nfs/dbraw/zinc/13/90/56/389139056.db2.gz TZUZQMALXBBQFD-OCCSQVGLSA-N 1 2 269.389 0.740 20 30 CCEDLO C[C@@]1(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC000328852946 389141678 /nfs/dbraw/zinc/14/16/78/389141678.db2.gz IYWSUKIXLGNLAF-CQSZACIVSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@@]1(NC(=O)NCC[N@H+]2CCOCC2(C)C)CCOC1 ZINC000328852946 389141681 /nfs/dbraw/zinc/14/16/81/389141681.db2.gz IYWSUKIXLGNLAF-CQSZACIVSA-N 1 2 285.388 0.780 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245390731 389205494 /nfs/dbraw/zinc/20/54/94/389205494.db2.gz MZUGVJCCBBABBF-SWLSCSKDSA-N 1 2 294.399 0.641 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245390731 389205496 /nfs/dbraw/zinc/20/54/96/389205496.db2.gz MZUGVJCCBBABBF-SWLSCSKDSA-N 1 2 294.399 0.641 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCn2c[nH+]cc2C1 ZINC000329682693 389187858 /nfs/dbraw/zinc/18/78/58/389187858.db2.gz XLXDYTNZYMKXCS-NSHDSACASA-N 1 2 286.339 0.824 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCn2cncc2C1 ZINC000329682693 389187862 /nfs/dbraw/zinc/18/78/62/389187862.db2.gz XLXDYTNZYMKXCS-NSHDSACASA-N 1 2 286.339 0.824 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3=CCCOC3)C[C@@H]21 ZINC000329702619 389190643 /nfs/dbraw/zinc/19/06/43/389190643.db2.gz IGASELBKQTWJFW-QWHCGFSZSA-N 1 2 281.356 0.262 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3=CCCOC3)C[C@@H]21 ZINC000329702619 389190645 /nfs/dbraw/zinc/19/06/45/389190645.db2.gz IGASELBKQTWJFW-QWHCGFSZSA-N 1 2 281.356 0.262 20 30 CCEDLO C=CCCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000360202280 389193246 /nfs/dbraw/zinc/19/32/46/389193246.db2.gz JEDKSUVBNFSNSV-UHFFFAOYSA-N 1 2 267.310 0.746 20 30 CCEDLO C=CCCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000360209208 389194026 /nfs/dbraw/zinc/19/40/26/389194026.db2.gz YJCGRGQOQXPJOQ-UHFFFAOYSA-N 1 2 264.416 0.531 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329745260 389195874 /nfs/dbraw/zinc/19/58/74/389195874.db2.gz RDCIRLJBFMAQHA-ZANVPECISA-N 1 2 264.329 0.950 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329745260 389195876 /nfs/dbraw/zinc/19/58/76/389195876.db2.gz RDCIRLJBFMAQHA-ZANVPECISA-N 1 2 264.329 0.950 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360505329 389199048 /nfs/dbraw/zinc/19/90/48/389199048.db2.gz UILPLTARZNSRJZ-MNOVXSKESA-N 1 2 278.356 0.751 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360505329 389199051 /nfs/dbraw/zinc/19/90/51/389199051.db2.gz UILPLTARZNSRJZ-MNOVXSKESA-N 1 2 278.356 0.751 20 30 CCEDLO CC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)COC1 ZINC000329290890 389154120 /nfs/dbraw/zinc/15/41/20/389154120.db2.gz AQOAKEHKMQHGNP-UHFFFAOYSA-N 1 2 285.344 0.268 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340319645 389155980 /nfs/dbraw/zinc/15/59/80/389155980.db2.gz YFBPLQQBCURDIH-SNVBAGLBSA-N 1 2 287.323 0.054 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340319645 389155981 /nfs/dbraw/zinc/15/59/81/389155981.db2.gz YFBPLQQBCURDIH-SNVBAGLBSA-N 1 2 287.323 0.054 20 30 CCEDLO Cc1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)on1 ZINC000329356192 389159029 /nfs/dbraw/zinc/15/90/29/389159029.db2.gz GWOBJUCFGSEZMH-LLVKDONJSA-N 1 2 281.360 0.232 20 30 CCEDLO Cc1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)on1 ZINC000329356192 389159031 /nfs/dbraw/zinc/15/90/31/389159031.db2.gz GWOBJUCFGSEZMH-LLVKDONJSA-N 1 2 281.360 0.232 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000329382764 389160638 /nfs/dbraw/zinc/16/06/38/389160638.db2.gz QVXQFCIPRXBTSV-JHJVBQTASA-N 1 2 285.388 0.636 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCOC2CCCC2)C1 ZINC000329432270 389163515 /nfs/dbraw/zinc/16/35/15/389163515.db2.gz IAVIBKJCFHOBOV-CYBMUJFWSA-N 1 2 298.431 0.695 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCOC2CCCC2)C1 ZINC000329432270 389163520 /nfs/dbraw/zinc/16/35/20/389163520.db2.gz IAVIBKJCFHOBOV-CYBMUJFWSA-N 1 2 298.431 0.695 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000358979885 389164117 /nfs/dbraw/zinc/16/41/17/389164117.db2.gz PLSSBLHTIIALIY-QWHCGFSZSA-N 1 2 281.404 0.423 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329549863 389170598 /nfs/dbraw/zinc/17/05/98/389170598.db2.gz JBJSVXRFHRQUQL-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329549863 389170601 /nfs/dbraw/zinc/17/06/01/389170601.db2.gz JBJSVXRFHRQUQL-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCCO1 ZINC000329553369 389170920 /nfs/dbraw/zinc/17/09/20/389170920.db2.gz AZNNKTNZKGZZDI-UHFFFAOYSA-N 1 2 255.318 0.403 20 30 CCEDLO C#CC[NH+](CC#C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000127444156 389174693 /nfs/dbraw/zinc/17/46/93/389174693.db2.gz NJCYOTRCBPAAEK-UHFFFAOYSA-N 1 2 286.379 0.634 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H]1CCCOC1 ZINC000329628636 389178551 /nfs/dbraw/zinc/17/85/51/389178551.db2.gz UUDGMRQHRYKZQJ-XDQVBPFNSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H]1CCCOC1 ZINC000329628636 389178554 /nfs/dbraw/zinc/17/85/54/389178554.db2.gz UUDGMRQHRYKZQJ-XDQVBPFNSA-N 1 2 297.399 0.730 20 30 CCEDLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)on1 ZINC000330616617 389246588 /nfs/dbraw/zinc/24/65/88/389246588.db2.gz DYQRLJNYPRISNT-JTQLQIEISA-N 1 2 297.359 0.717 20 30 CCEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)on1 ZINC000330616617 389246590 /nfs/dbraw/zinc/24/65/90/389246590.db2.gz DYQRLJNYPRISNT-JTQLQIEISA-N 1 2 297.359 0.717 20 30 CCEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cnn1C ZINC000330620356 389247439 /nfs/dbraw/zinc/24/74/39/389247439.db2.gz JWFXVTKONPJURN-JTQLQIEISA-N 1 2 266.345 0.754 20 30 CCEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cnn1C ZINC000330620356 389247442 /nfs/dbraw/zinc/24/74/42/389247442.db2.gz JWFXVTKONPJURN-JTQLQIEISA-N 1 2 266.345 0.754 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000330712885 389253208 /nfs/dbraw/zinc/25/32/08/389253208.db2.gz WMVHJECXOBISIO-ZYHUDNBSSA-N 1 2 271.386 0.469 20 30 CCEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)CO)CC1 ZINC000342848727 389254323 /nfs/dbraw/zinc/25/43/23/389254323.db2.gz DWEFMHGGTHUJRZ-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329018 389264973 /nfs/dbraw/zinc/26/49/73/389264973.db2.gz CWFUETBJVYTZLD-ILXRZTDVSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343329018 389264974 /nfs/dbraw/zinc/26/49/74/389264974.db2.gz CWFUETBJVYTZLD-ILXRZTDVSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCOCC1)C(=O)OC ZINC000361107883 389208562 /nfs/dbraw/zinc/20/85/62/389208562.db2.gz IVNGAGQVWOMPCJ-VXGBXAGGSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000342497921 389219881 /nfs/dbraw/zinc/21/98/81/389219881.db2.gz AQDCBTJJXBHNPR-LLVKDONJSA-N 1 2 276.340 0.397 20 30 CCEDLO C=CCN(Cc1[nH+]ccn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330367458 389221682 /nfs/dbraw/zinc/22/16/82/389221682.db2.gz ZTMUHCFDBWQGMX-LLVKDONJSA-N 1 2 269.370 0.595 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345645244 389311338 /nfs/dbraw/zinc/31/13/38/389311338.db2.gz WGWTXEZWMJPPMU-CYBMUJFWSA-N 1 2 268.357 0.512 20 30 CCEDLO N#CCCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000345816374 389315738 /nfs/dbraw/zinc/31/57/38/389315738.db2.gz NFCXBWVNPCCNFH-UHFFFAOYSA-N 1 2 276.344 0.541 20 30 CCEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155132338 389317733 /nfs/dbraw/zinc/31/77/33/389317733.db2.gz BALABDCAFHDRIA-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000155132338 389317735 /nfs/dbraw/zinc/31/77/35/389317735.db2.gz BALABDCAFHDRIA-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000345915101 389318278 /nfs/dbraw/zinc/31/82/78/389318278.db2.gz WMVJJZLTLYKFFU-KFWWJZLASA-N 1 2 295.427 0.720 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000155242891 389318398 /nfs/dbraw/zinc/31/83/98/389318398.db2.gz LSIRGHXXIBFSSP-NEPJUHHUSA-N 1 2 294.399 0.593 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000155242891 389318403 /nfs/dbraw/zinc/31/84/03/389318403.db2.gz LSIRGHXXIBFSSP-NEPJUHHUSA-N 1 2 294.399 0.593 20 30 CCEDLO N#Cc1ccc(F)c(C[NH+]2CCC(S(N)(=O)=O)CC2)c1 ZINC000367096090 389320880 /nfs/dbraw/zinc/32/08/80/389320880.db2.gz HCOZIWONIPOPIG-UHFFFAOYSA-N 1 2 297.355 0.950 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346118333 389321564 /nfs/dbraw/zinc/32/15/64/389321564.db2.gz BLZQFSNQFRBGHS-KFWWJZLASA-N 1 2 294.395 0.901 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC000264431702 389327869 /nfs/dbraw/zinc/32/78/69/389327869.db2.gz XDCNPMSNWLRFQX-LBPRGKRZSA-N 1 2 289.339 0.582 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346458814 389329851 /nfs/dbraw/zinc/32/98/51/389329851.db2.gz PWWAEHIFHJXOQF-VXGBXAGGSA-N 1 2 278.356 0.054 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346458814 389329854 /nfs/dbraw/zinc/32/98/54/389329854.db2.gz PWWAEHIFHJXOQF-VXGBXAGGSA-N 1 2 278.356 0.054 20 30 CCEDLO N#CCCn1ccc(=NC(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000345366676 389305491 /nfs/dbraw/zinc/30/54/91/389305491.db2.gz USFQJACHIKIVFH-UHFFFAOYSA-N 1 2 273.300 0.237 20 30 CCEDLO CN1CCN(S(=O)(=O)CCCC#N)c2ccc[nH+]c21 ZINC000267318417 389370118 /nfs/dbraw/zinc/37/01/18/389370118.db2.gz YOCJLZKXHPKHAN-UHFFFAOYSA-N 1 2 280.353 0.971 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000348553175 389381895 /nfs/dbraw/zinc/38/18/95/389381895.db2.gz NYRFEWQUXASYBF-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000348553175 389381898 /nfs/dbraw/zinc/38/18/98/389381898.db2.gz NYRFEWQUXASYBF-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369390598 389395992 /nfs/dbraw/zinc/39/59/92/389395992.db2.gz BXJCFZXMFPBRFM-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369390598 389395994 /nfs/dbraw/zinc/39/59/94/389395994.db2.gz BXJCFZXMFPBRFM-HIFRSBDPSA-N 1 2 295.383 0.628 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000158667588 389348986 /nfs/dbraw/zinc/34/89/86/389348986.db2.gz JMUNNIOKORXDSM-JSGCOSHPSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000158667588 389348991 /nfs/dbraw/zinc/34/89/91/389348991.db2.gz JMUNNIOKORXDSM-JSGCOSHPSA-N 1 2 290.319 0.545 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000332569847 389355686 /nfs/dbraw/zinc/35/56/86/389355686.db2.gz CQKNDYQAQBXFHH-LBPRGKRZSA-N 1 2 270.292 0.294 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000332569847 389355690 /nfs/dbraw/zinc/35/56/90/389355690.db2.gz CQKNDYQAQBXFHH-LBPRGKRZSA-N 1 2 270.292 0.294 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411987839 389472913 /nfs/dbraw/zinc/47/29/13/389472913.db2.gz PWQJVAMFXRGQEX-INIZCTEOSA-N 1 2 299.330 0.736 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411987839 389472915 /nfs/dbraw/zinc/47/29/15/389472915.db2.gz PWQJVAMFXRGQEX-INIZCTEOSA-N 1 2 299.330 0.736 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373401792 389478883 /nfs/dbraw/zinc/47/88/83/389478883.db2.gz BUUZCELORVKQJU-OUCADQQQSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373401792 389478886 /nfs/dbraw/zinc/47/88/86/389478886.db2.gz BUUZCELORVKQJU-OUCADQQQSA-N 1 2 266.341 0.004 20 30 CCEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCO)c1 ZINC000271022313 389438052 /nfs/dbraw/zinc/43/80/52/389438052.db2.gz UXVQRJPENDIVFF-UHFFFAOYSA-N 1 2 268.269 0.133 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411877641 389454596 /nfs/dbraw/zinc/45/45/96/389454596.db2.gz RLBSUEIWUSOYST-WCQYABFASA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411877641 389454597 /nfs/dbraw/zinc/45/45/97/389454597.db2.gz RLBSUEIWUSOYST-WCQYABFASA-N 1 2 295.383 0.888 20 30 CCEDLO C[C@H](CC#N)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000175790441 389547046 /nfs/dbraw/zinc/54/70/46/389547046.db2.gz HZGQQPSFGHGHIS-CYBMUJFWSA-N 1 2 287.367 0.622 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175891687 389548075 /nfs/dbraw/zinc/54/80/75/389548075.db2.gz GIUOLTOYBFUUSN-LLVKDONJSA-N 1 2 256.265 0.699 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330317434 285341051 /nfs/dbraw/zinc/34/10/51/285341051.db2.gz QKSFRACKPKUEMO-VXGBXAGGSA-N 1 2 278.356 0.875 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C)C2)C1=O ZINC000281266197 389613391 /nfs/dbraw/zinc/61/33/91/389613391.db2.gz HTYKGAYLMCVCCH-ZIAGYGMSSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C)C2)C1=O ZINC000281266197 389613393 /nfs/dbraw/zinc/61/33/93/389613393.db2.gz HTYKGAYLMCVCCH-ZIAGYGMSSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC(N)=O)Cc2ccccc2)C1=O ZINC000281914575 389634556 /nfs/dbraw/zinc/63/45/56/389634556.db2.gz GUAMERMSQWIKKE-CQSZACIVSA-N 1 2 287.363 0.761 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC(N)=O)Cc2ccccc2)C1=O ZINC000281914575 389634558 /nfs/dbraw/zinc/63/45/58/389634558.db2.gz GUAMERMSQWIKKE-CQSZACIVSA-N 1 2 287.363 0.761 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000281971017 389641133 /nfs/dbraw/zinc/64/11/33/389641133.db2.gz LCFRAKRKDJLOLO-KGLIPLIRSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000281971017 389641135 /nfs/dbraw/zinc/64/11/35/389641135.db2.gz LCFRAKRKDJLOLO-KGLIPLIRSA-N 1 2 290.367 0.371 20 30 CCEDLO Cn1cc(N2CC[N@H+](CCCSCC#N)CC2=O)cn1 ZINC000177444134 389584031 /nfs/dbraw/zinc/58/40/31/389584031.db2.gz NSODKFAZPNCFOJ-UHFFFAOYSA-N 1 2 293.396 0.716 20 30 CCEDLO Cn1cc(N2CC[N@@H+](CCCSCC#N)CC2=O)cn1 ZINC000177444134 389584040 /nfs/dbraw/zinc/58/40/40/389584040.db2.gz NSODKFAZPNCFOJ-UHFFFAOYSA-N 1 2 293.396 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC)C(C)C)C1=O ZINC000282130648 389656852 /nfs/dbraw/zinc/65/68/52/389656852.db2.gz YSNFXYFUUVGECE-NSHDSACASA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC)C(C)C)C1=O ZINC000282130648 389656855 /nfs/dbraw/zinc/65/68/55/389656855.db2.gz YSNFXYFUUVGECE-NSHDSACASA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282309346 389660359 /nfs/dbraw/zinc/66/03/59/389660359.db2.gz SZOPDUFMFMNHNG-CHWSQXEVSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282309346 389660365 /nfs/dbraw/zinc/66/03/65/389660365.db2.gz SZOPDUFMFMNHNG-CHWSQXEVSA-N 1 2 279.384 0.738 20 30 CCEDLO CC#CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336629261 389661948 /nfs/dbraw/zinc/66/19/48/389661948.db2.gz MFQUPFJMRFRSNW-QWHCGFSZSA-N 1 2 265.357 0.514 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000426076776 389662541 /nfs/dbraw/zinc/66/25/41/389662541.db2.gz MICKSSASQCNXBN-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000426076776 389662545 /nfs/dbraw/zinc/66/25/45/389662545.db2.gz MICKSSASQCNXBN-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000181242910 389683494 /nfs/dbraw/zinc/68/34/94/389683494.db2.gz DZFDDSDQWNFZMK-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000181242910 389683496 /nfs/dbraw/zinc/68/34/96/389683496.db2.gz DZFDDSDQWNFZMK-RYUDHWBXSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000351804272 389686205 /nfs/dbraw/zinc/68/62/05/389686205.db2.gz RRPJUFFWZQLRAY-LBPRGKRZSA-N 1 2 278.356 0.785 20 30 CCEDLO C=CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000351804272 389686206 /nfs/dbraw/zinc/68/62/06/389686206.db2.gz RRPJUFFWZQLRAY-LBPRGKRZSA-N 1 2 278.356 0.785 20 30 CCEDLO C=CCNC(=O)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000181644198 389689471 /nfs/dbraw/zinc/68/94/71/389689471.db2.gz JZCXIZZEHDMPDE-UHFFFAOYSA-N 1 2 286.335 0.763 20 30 CCEDLO CC[C@@](C)([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000428303230 389690955 /nfs/dbraw/zinc/69/09/55/389690955.db2.gz OYAXZFKFHVHLTH-CYBMUJFWSA-N 1 2 269.345 0.680 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)CCCC#N ZINC000416612188 389760228 /nfs/dbraw/zinc/76/02/28/389760228.db2.gz QANORLHDUGOQCB-UHFFFAOYSA-N 1 2 289.401 0.320 20 30 CCEDLO N#Cc1ccnc(NC[C@@H](O)C[NH+]2CCOCC2)c1Cl ZINC000429208572 389744996 /nfs/dbraw/zinc/74/49/96/389744996.db2.gz ZYZIFMYQZSWFHY-LLVKDONJSA-N 1 2 296.758 0.134 20 30 CCEDLO COCCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352450305 389813253 /nfs/dbraw/zinc/81/32/53/389813253.db2.gz QZLNUAVQAZSEBY-UHFFFAOYSA-N 1 2 257.309 0.467 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](C)C1 ZINC000352597946 389832563 /nfs/dbraw/zinc/83/25/63/389832563.db2.gz UIHXAUZYQBTQNT-RYUDHWBXSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](C)C1 ZINC000352597946 389832567 /nfs/dbraw/zinc/83/25/67/389832567.db2.gz UIHXAUZYQBTQNT-RYUDHWBXSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353057909 389845113 /nfs/dbraw/zinc/84/51/13/389845113.db2.gz YISBTRFYMSSSBV-OCCSQVGLSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353057909 389845116 /nfs/dbraw/zinc/84/51/16/389845116.db2.gz YISBTRFYMSSSBV-OCCSQVGLSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000433296424 389907496 /nfs/dbraw/zinc/90/74/96/389907496.db2.gz IBQFRKMSEZJICH-UHFFFAOYSA-N 1 2 283.372 0.926 20 30 CCEDLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000433296424 389907498 /nfs/dbraw/zinc/90/74/98/389907498.db2.gz IBQFRKMSEZJICH-UHFFFAOYSA-N 1 2 283.372 0.926 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](C#N)CCC#N ZINC000435537390 389958384 /nfs/dbraw/zinc/95/83/84/389958384.db2.gz WZPCJEWJHZEJIX-UONOGXRCSA-N 1 2 280.372 0.055 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444724958 389916009 /nfs/dbraw/zinc/91/60/09/389916009.db2.gz LRJXIJGYRGXJSQ-WCBMZHEXSA-N 1 2 279.262 0.261 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444724958 389916010 /nfs/dbraw/zinc/91/60/10/389916010.db2.gz LRJXIJGYRGXJSQ-WCBMZHEXSA-N 1 2 279.262 0.261 20 30 CCEDLO N#CC1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCCC1 ZINC000434919525 389950435 /nfs/dbraw/zinc/95/04/35/389950435.db2.gz AIYWOOKSOYYEIC-UHFFFAOYSA-N 1 2 295.383 0.223 20 30 CCEDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000440635943 390041309 /nfs/dbraw/zinc/04/13/09/390041309.db2.gz FDPXXMUNRNPPCL-AWEZNQCLSA-N 1 2 296.367 0.930 20 30 CCEDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000440635943 390041312 /nfs/dbraw/zinc/04/13/12/390041312.db2.gz FDPXXMUNRNPPCL-AWEZNQCLSA-N 1 2 296.367 0.930 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000448948684 389992091 /nfs/dbraw/zinc/99/20/91/389992091.db2.gz FLDAFIKIZWYSJR-GXTWGEPZSA-N 1 2 265.357 0.717 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000437397326 389993380 /nfs/dbraw/zinc/99/33/80/389993380.db2.gz OZTBHHXXVOARAT-VIFPVBQESA-N 1 2 276.296 0.647 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491453947 390113630 /nfs/dbraw/zinc/11/36/30/390113630.db2.gz UROZTWWDAAJEMD-UONOGXRCSA-N 1 2 287.425 0.906 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491453947 390113631 /nfs/dbraw/zinc/11/36/31/390113631.db2.gz UROZTWWDAAJEMD-UONOGXRCSA-N 1 2 287.425 0.906 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491453945 390113749 /nfs/dbraw/zinc/11/37/49/390113749.db2.gz UROZTWWDAAJEMD-KBPBESRZSA-N 1 2 287.425 0.906 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491453945 390113750 /nfs/dbraw/zinc/11/37/50/390113750.db2.gz UROZTWWDAAJEMD-KBPBESRZSA-N 1 2 287.425 0.906 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000541124436 390237260 /nfs/dbraw/zinc/23/72/60/390237260.db2.gz MKVOMPWOJTUGQH-UHFFFAOYSA-N 1 2 289.320 0.395 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541979473 390255950 /nfs/dbraw/zinc/25/59/50/390255950.db2.gz UORJRBWGOFYOPM-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541979473 390255954 /nfs/dbraw/zinc/25/59/54/390255954.db2.gz UORJRBWGOFYOPM-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542051103 390256778 /nfs/dbraw/zinc/25/67/78/390256778.db2.gz PWYFPMGWBNZEAQ-UHFFFAOYSA-N 1 2 254.315 0.373 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000583334144 390285912 /nfs/dbraw/zinc/28/59/12/390285912.db2.gz DXGWODRCYRMPCQ-UHFFFAOYSA-N 1 2 287.323 0.134 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@]2(C)CCOC2)c1C#N ZINC000543617521 390287665 /nfs/dbraw/zinc/28/76/65/390287665.db2.gz YZIDUOKPOIIFOZ-AWEZNQCLSA-N 1 2 291.355 0.220 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000644708434 390288345 /nfs/dbraw/zinc/28/83/45/390288345.db2.gz ZEJUAVYMZRBYMJ-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000644708434 390288347 /nfs/dbraw/zinc/28/83/47/390288347.db2.gz ZEJUAVYMZRBYMJ-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nn1 ZINC000644785717 390313451 /nfs/dbraw/zinc/31/34/51/390313451.db2.gz YVBQXRAAWNTVHM-LLVKDONJSA-N 1 2 286.339 0.539 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nn1 ZINC000644785718 390313627 /nfs/dbraw/zinc/31/36/27/390313627.db2.gz YVBQXRAAWNTVHM-NSHDSACASA-N 1 2 286.339 0.539 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000645516830 390439889 /nfs/dbraw/zinc/43/98/89/390439889.db2.gz XGVBPXBZDQSBJS-GFCCVEGCSA-N 1 2 277.324 0.664 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1COc2ccccc2O1 ZINC000562323160 390488532 /nfs/dbraw/zinc/48/85/32/390488532.db2.gz SHAOIXONCXEFQQ-UKRRQHHQSA-N 1 2 289.335 0.786 20 30 CCEDLO CCOC(=O)c1ccc(N2CC([NH2+]CCC#N)C2)nc1 ZINC000563806260 390493326 /nfs/dbraw/zinc/49/33/26/390493326.db2.gz ZJSWOSDJTTZRPX-UHFFFAOYSA-N 1 2 274.324 0.950 20 30 CCEDLO C=CCNC(=O)C[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000505715836 390463820 /nfs/dbraw/zinc/46/38/20/390463820.db2.gz ZOOMVWWOYSBFPA-LJQANCHMSA-N 1 2 277.349 0.885 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000516230104 390480161 /nfs/dbraw/zinc/48/01/61/390480161.db2.gz IEKBVCWOVSBLJD-HIFRSBDPSA-N 1 2 273.336 0.950 20 30 CCEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000566114951 390581584 /nfs/dbraw/zinc/58/15/84/390581584.db2.gz BDVSICJIWWARDP-SNVBAGLBSA-N 1 2 278.337 0.476 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000565942743 390560650 /nfs/dbraw/zinc/56/06/50/390560650.db2.gz CARGWTVZJXEHPJ-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO COc1nc(C)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000520413392 390573749 /nfs/dbraw/zinc/57/37/49/390573749.db2.gz VZBLKLSMETZBTQ-AWEZNQCLSA-N 1 2 276.340 0.972 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2n(n1)CCCC2 ZINC000567995483 390711948 /nfs/dbraw/zinc/71/19/48/390711948.db2.gz MCNRFPJUCADNIK-AWEZNQCLSA-N 1 2 275.356 0.793 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000568178882 390712193 /nfs/dbraw/zinc/71/21/93/390712193.db2.gz ZRFALNCXSCPVAY-HUUCEWRRSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000568178882 390712194 /nfs/dbraw/zinc/71/21/94/390712194.db2.gz ZRFALNCXSCPVAY-HUUCEWRRSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C#N)nc1 ZINC000527985881 390726848 /nfs/dbraw/zinc/72/68/48/390726848.db2.gz NNIXRISTBMTJNM-LLVKDONJSA-N 1 2 269.308 0.897 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000572699474 390797029 /nfs/dbraw/zinc/79/70/29/390797029.db2.gz WVVFQDVMCZQKLB-WDEREUQCSA-N 1 2 295.364 0.233 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000572699474 390797031 /nfs/dbraw/zinc/79/70/31/390797031.db2.gz WVVFQDVMCZQKLB-WDEREUQCSA-N 1 2 295.364 0.233 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccno3)CC2)c1C#N ZINC000530465938 390876768 /nfs/dbraw/zinc/87/67/68/390876768.db2.gz PCBZXZSXCAGNIZ-UHFFFAOYSA-N 1 2 286.339 0.910 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000263769161 131326748 /nfs/dbraw/zinc/32/67/48/131326748.db2.gz JSAMKEIGTKAALQ-OAHLLOKOSA-N 1 2 286.379 0.940 20 30 CCEDLO CC[C@H](C(N)=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263769161 131326750 /nfs/dbraw/zinc/32/67/50/131326750.db2.gz JSAMKEIGTKAALQ-OAHLLOKOSA-N 1 2 286.379 0.940 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000268479703 132015538 /nfs/dbraw/zinc/01/55/38/132015538.db2.gz LEKODMMDSRZQQX-UHFFFAOYSA-N 1 2 291.311 0.630 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nc[nH]n3)CC2)cc1 ZINC000269442386 132171380 /nfs/dbraw/zinc/17/13/80/132171380.db2.gz QXEBERVOXNDLSU-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO N#Cc1cccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000368166375 144210088 /nfs/dbraw/zinc/21/00/88/144210088.db2.gz WEHAKCDDKWJGPF-UHFFFAOYSA-N 1 2 295.302 0.736 20 30 CCEDLO N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000960337331 649853524 /nfs/dbraw/zinc/85/35/24/649853524.db2.gz PTVJZGGBLIHDPC-GDBMZVCRSA-N 1 2 295.346 0.778 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654982842 412456763 /nfs/dbraw/zinc/45/67/63/412456763.db2.gz IFMHEJDEWGBIIV-WDEREUQCSA-N 1 2 251.330 0.889 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654982842 412456767 /nfs/dbraw/zinc/45/67/67/412456767.db2.gz IFMHEJDEWGBIIV-WDEREUQCSA-N 1 2 251.330 0.889 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000285786247 196398222 /nfs/dbraw/zinc/39/82/22/196398222.db2.gz SUDHUJCBDKBGQF-RISCZKNCSA-N 1 2 288.351 0.822 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661272029 414587384 /nfs/dbraw/zinc/58/73/84/414587384.db2.gz OFQGLAYVVAWYMV-MCIONIFRSA-N 1 2 295.383 0.446 20 30 CCEDLO C=CCCC(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000662954506 414916016 /nfs/dbraw/zinc/91/60/16/414916016.db2.gz VXEGRBYVKLNLNF-UHFFFAOYSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663237300 415025472 /nfs/dbraw/zinc/02/54/72/415025472.db2.gz HTSVTBBAUPWXIU-UHFFFAOYSA-N 1 2 267.373 0.926 20 30 CCEDLO N#CCC[C@@H](C#N)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354605067 227048150 /nfs/dbraw/zinc/04/81/50/227048150.db2.gz WIVQRWXOZXKEHD-ZDUSSCGKSA-N 1 2 272.356 0.971 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000329055742 227275147 /nfs/dbraw/zinc/27/51/47/227275147.db2.gz SMICKEBSJGFWSE-VXGBXAGGSA-N 1 2 281.356 0.429 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000329055742 227275152 /nfs/dbraw/zinc/27/51/52/227275152.db2.gz SMICKEBSJGFWSE-VXGBXAGGSA-N 1 2 281.356 0.429 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COCCO1 ZINC000329121651 227312112 /nfs/dbraw/zinc/31/21/12/227312112.db2.gz WGCGMSSGJMATLA-MNOVXSKESA-N 1 2 258.318 0.079 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COCCO1 ZINC000329121651 227312116 /nfs/dbraw/zinc/31/21/16/227312116.db2.gz WGCGMSSGJMATLA-MNOVXSKESA-N 1 2 258.318 0.079 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC(C1CC1)C1CC1 ZINC000328618463 545017945 /nfs/dbraw/zinc/01/79/45/545017945.db2.gz VEHKAOHXLFZEDY-PHIMTYICSA-N 1 2 254.330 0.169 20 30 CCEDLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC(C1CC1)C1CC1 ZINC000328618463 545017947 /nfs/dbraw/zinc/01/79/47/545017947.db2.gz VEHKAOHXLFZEDY-PHIMTYICSA-N 1 2 254.330 0.169 20 30 CCEDLO CN1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC000329301754 545021936 /nfs/dbraw/zinc/02/19/36/545021936.db2.gz WKUWQOKITJSHRV-JTQLQIEISA-N 1 2 250.302 0.920 20 30 CCEDLO CN1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC000329301754 545021939 /nfs/dbraw/zinc/02/19/39/545021939.db2.gz WKUWQOKITJSHRV-JTQLQIEISA-N 1 2 250.302 0.920 20 30 CCEDLO CCCn1nccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329385046 545022308 /nfs/dbraw/zinc/02/23/08/545022308.db2.gz RWBYOQFFRBTBMR-LBPRGKRZSA-N 1 2 294.403 0.865 20 30 CCEDLO CCCn1nccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329385046 545022309 /nfs/dbraw/zinc/02/23/09/545022309.db2.gz RWBYOQFFRBTBMR-LBPRGKRZSA-N 1 2 294.403 0.865 20 30 CCEDLO CN(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCN(C)C1=O ZINC000329699537 545024806 /nfs/dbraw/zinc/02/48/06/545024806.db2.gz DEQIGSPDGWDFLU-CABZTGNLSA-N 1 2 291.355 0.344 20 30 CCEDLO CN(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCN(C)C1=O ZINC000329699537 545024807 /nfs/dbraw/zinc/02/48/07/545024807.db2.gz DEQIGSPDGWDFLU-CABZTGNLSA-N 1 2 291.355 0.344 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cn[nH]c1 ZINC000037842196 260118910 /nfs/dbraw/zinc/11/89/10/260118910.db2.gz HPRHEJAIZXTWLX-UHFFFAOYSA-N 1 2 277.328 0.098 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363469424 260277804 /nfs/dbraw/zinc/27/78/04/260277804.db2.gz BTDDOAZCRYDOSB-ZIAGYGMSSA-N 1 2 290.367 0.896 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363469424 260277805 /nfs/dbraw/zinc/27/78/05/260277805.db2.gz BTDDOAZCRYDOSB-ZIAGYGMSSA-N 1 2 290.367 0.896 20 30 CCEDLO N#Cc1ccccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000078640062 260301418 /nfs/dbraw/zinc/30/14/18/260301418.db2.gz WRIPNGFXDGHWCX-UHFFFAOYSA-N 1 2 274.324 0.679 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000158944744 260910538 /nfs/dbraw/zinc/91/05/38/260910538.db2.gz VLUCZZFUENLMLM-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO N#CCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153571574 261080297 /nfs/dbraw/zinc/08/02/97/261080297.db2.gz LXSAUJPVDKQQNK-UHFFFAOYSA-N 1 2 290.342 0.978 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491786946 262050960 /nfs/dbraw/zinc/05/09/60/262050960.db2.gz XAHUCUGGEZWVPE-ZJUUUORDSA-N 1 2 279.340 0.458 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491786946 262050963 /nfs/dbraw/zinc/05/09/63/262050963.db2.gz XAHUCUGGEZWVPE-ZJUUUORDSA-N 1 2 279.340 0.458 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)CC[N@@H+]1CCO ZINC000188724168 262160625 /nfs/dbraw/zinc/16/06/25/262160625.db2.gz BMZWDGCJOLFQOH-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)CC[N@H+]1CCO ZINC000188724168 262160626 /nfs/dbraw/zinc/16/06/26/262160626.db2.gz BMZWDGCJOLFQOH-GFCCVEGCSA-N 1 2 289.401 0.008 20 30 CCEDLO C#CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000192003527 262197368 /nfs/dbraw/zinc/19/73/68/262197368.db2.gz GGVXEZCDSMDSCA-UHFFFAOYSA-N 1 2 277.368 0.864 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366042829 262540112 /nfs/dbraw/zinc/54/01/12/262540112.db2.gz UPLKRYNODJLAIM-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000425288492 262694840 /nfs/dbraw/zinc/69/48/40/262694840.db2.gz BJZSNKXNHBMIOE-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO CC[C@H](CC#N)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280891469 263064708 /nfs/dbraw/zinc/06/47/08/263064708.db2.gz DCLCUMSVXBFKRB-PWSUYJOCSA-N 1 2 263.345 0.831 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)CCC#N)C1=O ZINC000281437139 263069156 /nfs/dbraw/zinc/06/91/56/263069156.db2.gz SWFKULPCLZUVTN-ZDUSSCGKSA-N 1 2 292.383 0.467 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)CCC#N)C1=O ZINC000281437139 263069157 /nfs/dbraw/zinc/06/91/57/263069157.db2.gz SWFKULPCLZUVTN-ZDUSSCGKSA-N 1 2 292.383 0.467 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCc2cnn(C)n2)cc1 ZINC000289356011 263109583 /nfs/dbraw/zinc/10/95/83/263109583.db2.gz HYWXVGZTLGDYJK-UHFFFAOYSA-N 1 2 275.312 0.855 20 30 CCEDLO CC#CCN(C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000341041713 263318737 /nfs/dbraw/zinc/31/87/37/263318737.db2.gz OSUXBEDFTXHWID-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO CC#CCN(C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000341041713 263318739 /nfs/dbraw/zinc/31/87/39/263318739.db2.gz OSUXBEDFTXHWID-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342223676 263410893 /nfs/dbraw/zinc/41/08/93/263410893.db2.gz SDEXOJYYTDWQNC-RYUDHWBXSA-N 1 2 263.341 0.746 20 30 CCEDLO Cc1cc(COCC(=O)NC[C@@H]2C[N@H+](C)CCO2)on1 ZINC000328667514 263835960 /nfs/dbraw/zinc/83/59/60/263835960.db2.gz DDXFQQUMFAXBOS-GFCCVEGCSA-N 1 2 283.328 0.787 20 30 CCEDLO Cc1cc(COCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)on1 ZINC000328667514 263835963 /nfs/dbraw/zinc/83/59/63/263835963.db2.gz DDXFQQUMFAXBOS-GFCCVEGCSA-N 1 2 283.328 0.787 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330854845 264069720 /nfs/dbraw/zinc/06/97/20/264069720.db2.gz HOAMJLCLLTXMEO-UKRRQHHQSA-N 1 2 282.384 0.637 20 30 CCEDLO COC(=O)C[C@@]1(NC(=O)c2c[nH+]c(C)[nH]2)CCOC1 ZINC000330907995 264074625 /nfs/dbraw/zinc/07/46/25/264074625.db2.gz CMZJSGYKYYEXSN-LBPRGKRZSA-N 1 2 267.285 0.745 20 30 CCEDLO C=C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330907439 264074768 /nfs/dbraw/zinc/07/47/68/264074768.db2.gz CFHFZUIUTVYKFL-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330972623 264100154 /nfs/dbraw/zinc/10/01/54/264100154.db2.gz NDFVLVAKQHJFFF-OUAUKWLOSA-N 1 2 282.344 0.372 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330972623 264100155 /nfs/dbraw/zinc/10/01/55/264100155.db2.gz NDFVLVAKQHJFFF-OUAUKWLOSA-N 1 2 282.344 0.372 20 30 CCEDLO CN(C)[C@@H](C(=O)NCC(C)(C)C#N)c1c[nH+]cn1C ZINC000331159385 264142387 /nfs/dbraw/zinc/14/23/87/264142387.db2.gz QTFJAOJSYBKIBM-LLVKDONJSA-N 1 2 263.345 0.689 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000331194463 264158318 /nfs/dbraw/zinc/15/83/18/264158318.db2.gz MSGXSQVEVNSKEJ-GXTWGEPZSA-N 1 2 268.357 0.247 20 30 CCEDLO CN(CCCO)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331273462 264169710 /nfs/dbraw/zinc/16/97/10/264169710.db2.gz OTGMWNYMIPRVNJ-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CN(CCCO)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331273462 264169711 /nfs/dbraw/zinc/16/97/11/264169711.db2.gz OTGMWNYMIPRVNJ-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000126856230 264228032 /nfs/dbraw/zinc/22/80/32/264228032.db2.gz RXPCNRXJMGAMEB-UHFFFAOYSA-N 1 2 281.381 0.964 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)NCc1ccccc1 ZINC000072906749 264281369 /nfs/dbraw/zinc/28/13/69/264281369.db2.gz YUYFYXVUWKIDLN-UHFFFAOYSA-N 1 2 283.331 0.581 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000074535457 264312225 /nfs/dbraw/zinc/31/22/25/264312225.db2.gz BZMPAPFXVIDZKH-LBPRGKRZSA-N 1 2 291.355 0.973 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCC#N ZINC000076668896 264340501 /nfs/dbraw/zinc/34/05/01/264340501.db2.gz MFJPRXLYZUXXAD-SRVKXCTJSA-N 1 2 279.340 0.432 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCC#N ZINC000076668896 264340504 /nfs/dbraw/zinc/34/05/04/264340504.db2.gz MFJPRXLYZUXXAD-SRVKXCTJSA-N 1 2 279.340 0.432 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000077170222 264349931 /nfs/dbraw/zinc/34/99/31/264349931.db2.gz GEXJXDWVXPZPIH-OCCSQVGLSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000077170222 264349932 /nfs/dbraw/zinc/34/99/32/264349932.db2.gz GEXJXDWVXPZPIH-OCCSQVGLSA-N 1 2 294.399 0.595 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CCC1 ZINC000525886263 265034808 /nfs/dbraw/zinc/03/48/08/265034808.db2.gz OKJZFKMYVXOVMT-AWEZNQCLSA-N 1 2 279.340 0.040 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CCC1 ZINC000525886263 265034810 /nfs/dbraw/zinc/03/48/10/265034810.db2.gz OKJZFKMYVXOVMT-AWEZNQCLSA-N 1 2 279.340 0.040 20 30 CCEDLO C=CCCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000356520393 266129625 /nfs/dbraw/zinc/12/96/25/266129625.db2.gz RNHOXPYMQWEYCF-CYBMUJFWSA-N 1 2 263.385 0.849 20 30 CCEDLO C#CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368494409 267177922 /nfs/dbraw/zinc/17/79/22/267177922.db2.gz NOMQXHHRZIXUQJ-CQSZACIVSA-N 1 2 283.335 0.880 20 30 CCEDLO C#CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368494409 267177923 /nfs/dbraw/zinc/17/79/23/267177923.db2.gz NOMQXHHRZIXUQJ-CQSZACIVSA-N 1 2 283.335 0.880 20 30 CCEDLO Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399582199 267299842 /nfs/dbraw/zinc/29/98/42/267299842.db2.gz NTCKNJDHESAJHE-JTQLQIEISA-N 1 2 265.338 0.530 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370556874 267327991 /nfs/dbraw/zinc/32/79/91/267327991.db2.gz IPUNNIYAQJVXHX-CHWSQXEVSA-N 1 2 295.383 0.936 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370556874 267327993 /nfs/dbraw/zinc/32/79/93/267327993.db2.gz IPUNNIYAQJVXHX-CHWSQXEVSA-N 1 2 295.383 0.936 20 30 CCEDLO Cc1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)nc1C#N ZINC000527288451 268026425 /nfs/dbraw/zinc/02/64/25/268026425.db2.gz BKGZVXLAYLMCQL-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1ccc(NCC[N@H+]2CCO[C@@H](C)C2)nc1C#N ZINC000527288451 268026427 /nfs/dbraw/zinc/02/64/27/268026427.db2.gz BKGZVXLAYLMCQL-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO C=C(C)CC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000351844830 277765458 /nfs/dbraw/zinc/76/54/58/277765458.db2.gz NGHFFMXJBGUQPI-ZDUSSCGKSA-N 1 2 272.414 0.757 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329952130 278099577 /nfs/dbraw/zinc/09/95/77/278099577.db2.gz IQGNVAAECKMRPA-GHMZBOCLSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329952130 278099578 /nfs/dbraw/zinc/09/95/78/278099578.db2.gz IQGNVAAECKMRPA-GHMZBOCLSA-N 1 2 293.327 0.046 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000352091205 288245521 /nfs/dbraw/zinc/24/55/21/288245521.db2.gz DGCZCPQYSXPLNO-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C)C[N@H+]1C ZINC000352091205 288245522 /nfs/dbraw/zinc/24/55/22/288245522.db2.gz DGCZCPQYSXPLNO-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C(C)(C)C1 ZINC000276935680 290053164 /nfs/dbraw/zinc/05/31/64/290053164.db2.gz AHLNOJAJOPIMFD-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C(C)(C)C1 ZINC000276935680 290053167 /nfs/dbraw/zinc/05/31/67/290053167.db2.gz AHLNOJAJOPIMFD-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484415 290494380 /nfs/dbraw/zinc/49/43/80/290494380.db2.gz OWXPJZGJDXZGAY-QMMMGPOBSA-N 1 2 256.281 0.158 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](C)[NH+]1C ZINC000235370979 297066598 /nfs/dbraw/zinc/06/65/98/297066598.db2.gz SWDMBTHCDJDDNZ-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340290754 294862255 /nfs/dbraw/zinc/86/22/55/294862255.db2.gz OFEHOKKAUQZPOA-HUUCEWRRSA-N 1 2 291.326 0.579 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000269298641 294862468 /nfs/dbraw/zinc/86/24/68/294862468.db2.gz YCSFRMPUZWJNKL-CQSZACIVSA-N 1 2 288.326 0.708 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000283095078 294975284 /nfs/dbraw/zinc/97/52/84/294975284.db2.gz RJRHCFBPOYMPCW-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346892032 300239685 /nfs/dbraw/zinc/23/96/85/300239685.db2.gz UAVWYVODVWNPKJ-QWRGUYRKSA-N 1 2 251.330 0.658 20 30 CCEDLO Cc1cc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)on1 ZINC000330293966 301345146 /nfs/dbraw/zinc/34/51/46/301345146.db2.gz IEGNWJAXNSLKIN-MNOVXSKESA-N 1 2 280.328 0.586 20 30 CCEDLO Cc1cc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)on1 ZINC000330293966 301345150 /nfs/dbraw/zinc/34/51/50/301345150.db2.gz IEGNWJAXNSLKIN-MNOVXSKESA-N 1 2 280.328 0.586 20 30 CCEDLO C[C@@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCOCC1 ZINC000339692800 328012901 /nfs/dbraw/zinc/01/29/01/328012901.db2.gz APWMTFGSISTFNS-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC000378266493 329044530 /nfs/dbraw/zinc/04/45/30/329044530.db2.gz XMRJNUIEOFVHOU-SNVBAGLBSA-N 1 2 264.354 0.993 20 30 CCEDLO C=C(C)COCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413384107 328144876 /nfs/dbraw/zinc/14/48/76/328144876.db2.gz PAKGJHGGMQEKAZ-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000267249606 328175830 /nfs/dbraw/zinc/17/58/30/328175830.db2.gz YYIPEDRXTRIQJL-LBPRGKRZSA-N 1 2 270.292 0.628 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340654939 328298659 /nfs/dbraw/zinc/29/86/59/328298659.db2.gz DRZWIJHTHAJVEV-LBPRGKRZSA-N 1 2 278.356 0.812 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305174429 328395796 /nfs/dbraw/zinc/39/57/96/328395796.db2.gz UYQVAXBYUFQXIX-SNVBAGLBSA-N 1 2 279.262 0.261 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCCC(=O)N1 ZINC000563715710 328492355 /nfs/dbraw/zinc/49/23/55/328492355.db2.gz LVKPFAWBOJCZTM-ZWNOBZJWSA-N 1 2 266.345 0.005 20 30 CCEDLO C=CCOCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345417847 328566023 /nfs/dbraw/zinc/56/60/23/328566023.db2.gz ZREOMMABIXUYNL-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558627529 327110986 /nfs/dbraw/zinc/11/09/86/327110986.db2.gz AMBIAJIVMMOJNY-NSHDSACASA-N 1 2 258.325 0.813 20 30 CCEDLO N#Cc1ccc(CO[NH+]=C(N)CN2CCOCC2)c(F)c1 ZINC000111182334 327277646 /nfs/dbraw/zinc/27/76/46/327277646.db2.gz WVZXERILRPLPOU-UHFFFAOYSA-N 1 2 292.314 0.818 20 30 CCEDLO COc1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000569815368 327549201 /nfs/dbraw/zinc/54/92/01/327549201.db2.gz TUSHIZKJUHCXKY-GFCCVEGCSA-N 1 2 263.301 0.059 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505590 328770235 /nfs/dbraw/zinc/77/02/35/328770235.db2.gz ZFCZDXWVHIXBFC-ZDUSSCGKSA-N 1 2 290.367 0.239 20 30 CCEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000377773078 329028883 /nfs/dbraw/zinc/02/88/83/329028883.db2.gz HFHMDZYPWWQUIU-UHFFFAOYSA-N 1 2 299.374 0.230 20 30 CCEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000377773078 329028884 /nfs/dbraw/zinc/02/88/84/329028884.db2.gz HFHMDZYPWWQUIU-UHFFFAOYSA-N 1 2 299.374 0.230 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)cn1 ZINC000582488464 329096964 /nfs/dbraw/zinc/09/69/64/329096964.db2.gz GMXVJTDBOJMDHO-LBPRGKRZSA-N 1 2 250.277 0.794 20 30 CCEDLO C=CC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000175364893 329165088 /nfs/dbraw/zinc/16/50/88/329165088.db2.gz RJSDZBPZCJRBDO-UHFFFAOYSA-N 1 2 276.402 0.545 20 30 CCEDLO C#C[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000186077779 329337243 /nfs/dbraw/zinc/33/72/43/329337243.db2.gz CEHALSVKGZQVMV-VXGBXAGGSA-N 1 2 258.325 0.981 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185968410 329337538 /nfs/dbraw/zinc/33/75/38/329337538.db2.gz HPPNHGCLSMOESM-AWEZNQCLSA-N 1 2 280.372 0.478 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185968410 329337540 /nfs/dbraw/zinc/33/75/40/329337540.db2.gz HPPNHGCLSMOESM-AWEZNQCLSA-N 1 2 280.372 0.478 20 30 CCEDLO C[C@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187353185 329355478 /nfs/dbraw/zinc/35/54/78/329355478.db2.gz JRQHXSHHPHNDEC-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187353185 329355479 /nfs/dbraw/zinc/35/54/79/329355479.db2.gz JRQHXSHHPHNDEC-DGCLKSJQSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000583212768 329368889 /nfs/dbraw/zinc/36/88/89/329368889.db2.gz VHTHHWFKHYFUJZ-JQWIXIFHSA-N 1 2 269.345 0.582 20 30 CCEDLO COCc1noc(CN2CC[NH+](CCCC#N)CC2)n1 ZINC000189616083 329384614 /nfs/dbraw/zinc/38/46/14/329384614.db2.gz HXQSUVVTSIXKJN-UHFFFAOYSA-N 1 2 279.344 0.637 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189671101 329386168 /nfs/dbraw/zinc/38/61/68/329386168.db2.gz CVFPUQDKSMAPMA-UHFFFAOYSA-N 1 2 289.383 0.711 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190223729 329393383 /nfs/dbraw/zinc/39/33/83/329393383.db2.gz TYJWSERCCLODFJ-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190223729 329393384 /nfs/dbraw/zinc/39/33/84/329393384.db2.gz TYJWSERCCLODFJ-CYBMUJFWSA-N 1 2 294.399 0.549 20 30 CCEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000583761242 329475362 /nfs/dbraw/zinc/47/53/62/329475362.db2.gz LBQMJUWPIFYPHB-ZYHUDNBSSA-N 1 2 261.329 0.807 20 30 CCEDLO C=CC[N@@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC000271396344 330079023 /nfs/dbraw/zinc/07/90/23/330079023.db2.gz KUUUFPQIAVTQOW-UHFFFAOYSA-N 1 2 289.339 0.111 20 30 CCEDLO C=CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC000271396344 330079024 /nfs/dbraw/zinc/07/90/24/330079024.db2.gz KUUUFPQIAVTQOW-UHFFFAOYSA-N 1 2 289.339 0.111 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(C)c1 ZINC000527128580 330225058 /nfs/dbraw/zinc/22/50/58/330225058.db2.gz AQPXZYOVEIPBQW-UHFFFAOYSA-N 1 2 275.356 0.804 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(C)c1 ZINC000527128580 330225059 /nfs/dbraw/zinc/22/50/59/330225059.db2.gz AQPXZYOVEIPBQW-UHFFFAOYSA-N 1 2 275.356 0.804 20 30 CCEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000108859034 330358740 /nfs/dbraw/zinc/35/87/40/330358740.db2.gz NNPVSTRLDHGUAN-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000450132138 330962995 /nfs/dbraw/zinc/96/29/95/330962995.db2.gz OWEYUMZKOZGGTK-GFCCVEGCSA-N 1 2 270.373 0.350 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451129860 331016860 /nfs/dbraw/zinc/01/68/60/331016860.db2.gz JUNOBIDQGPRQNW-LLVKDONJSA-N 1 2 265.357 0.858 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451129860 331016861 /nfs/dbraw/zinc/01/68/61/331016861.db2.gz JUNOBIDQGPRQNW-LLVKDONJSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000454477823 331147050 /nfs/dbraw/zinc/14/70/50/331147050.db2.gz DCHGYEUWGLFTPR-GFCCVEGCSA-N 1 2 268.405 0.744 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000454477823 331147051 /nfs/dbraw/zinc/14/70/51/331147051.db2.gz DCHGYEUWGLFTPR-GFCCVEGCSA-N 1 2 268.405 0.744 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000458308933 331248043 /nfs/dbraw/zinc/24/80/43/331248043.db2.gz SGRNUPYYACVEHA-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000458308933 331248044 /nfs/dbraw/zinc/24/80/44/331248044.db2.gz SGRNUPYYACVEHA-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C=C(C)CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000459008161 331266097 /nfs/dbraw/zinc/26/60/97/331266097.db2.gz TVLWJSDRFFUBQJ-CYBMUJFWSA-N 1 2 285.388 0.287 20 30 CCEDLO C=CC[N@@H+](Cc1cn(CC(N)=O)nn1)Cc1ccccc1 ZINC000459311852 331275838 /nfs/dbraw/zinc/27/58/38/331275838.db2.gz VVJCPQZTQZMGKP-UHFFFAOYSA-N 1 2 285.351 0.952 20 30 CCEDLO C=CC[N@H+](Cc1cn(CC(N)=O)nn1)Cc1ccccc1 ZINC000459311852 331275839 /nfs/dbraw/zinc/27/58/39/331275839.db2.gz VVJCPQZTQZMGKP-UHFFFAOYSA-N 1 2 285.351 0.952 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)N[C@@H](C)C1=O ZINC000459483468 331284299 /nfs/dbraw/zinc/28/42/99/331284299.db2.gz BTIVYRLYTZEWKP-JTQLQIEISA-N 1 2 250.302 0.328 20 30 CCEDLO C=CC[N@H+](CCC#N)CCN1C(=O)N[C@@H](C)C1=O ZINC000459483468 331284300 /nfs/dbraw/zinc/28/43/00/331284300.db2.gz BTIVYRLYTZEWKP-JTQLQIEISA-N 1 2 250.302 0.328 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000490819599 332117548 /nfs/dbraw/zinc/11/75/48/332117548.db2.gz JKHXSOKXECXRBH-HNNXBMFYSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000490819599 332117549 /nfs/dbraw/zinc/11/75/49/332117549.db2.gz JKHXSOKXECXRBH-HNNXBMFYSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CCN(Cc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490842185 332119966 /nfs/dbraw/zinc/11/99/66/332119966.db2.gz ZTAHZLWGZIRKPD-LLVKDONJSA-N 1 2 267.354 0.042 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000490850917 332120184 /nfs/dbraw/zinc/12/01/84/332120184.db2.gz CIVIAKUIUWLMNZ-NSHDSACASA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000490850917 332120185 /nfs/dbraw/zinc/12/01/85/332120185.db2.gz CIVIAKUIUWLMNZ-NSHDSACASA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000490935273 332130977 /nfs/dbraw/zinc/13/09/77/332130977.db2.gz LZSWRRNMURREEN-NSHDSACASA-N 1 2 275.356 0.112 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000490935273 332130978 /nfs/dbraw/zinc/13/09/78/332130978.db2.gz LZSWRRNMURREEN-NSHDSACASA-N 1 2 275.356 0.112 20 30 CCEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491241467 332172535 /nfs/dbraw/zinc/17/25/35/332172535.db2.gz JOLUUSMGBWFCLT-JTQLQIEISA-N 1 2 270.292 0.801 20 30 CCEDLO C#CC[N@@H+](CCC[C@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000491276004 332179068 /nfs/dbraw/zinc/17/90/68/332179068.db2.gz HIZLWYQDWLWDDX-RYUDHWBXSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@H+](CCC[C@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000491276004 332179069 /nfs/dbraw/zinc/17/90/69/332179069.db2.gz HIZLWYQDWLWDDX-RYUDHWBXSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C2CC2)CC1 ZINC000491440333 332211933 /nfs/dbraw/zinc/21/19/33/332211933.db2.gz OOSVRAJOTQDXMF-UHFFFAOYSA-N 1 2 259.357 0.931 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491638117 332258607 /nfs/dbraw/zinc/25/86/07/332258607.db2.gz XZIVTXYDLXJOGG-GFCCVEGCSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000491715867 332305923 /nfs/dbraw/zinc/30/59/23/332305923.db2.gz RBJWQJZTIYFBTK-JTQLQIEISA-N 1 2 264.329 0.412 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491770398 332337280 /nfs/dbraw/zinc/33/72/80/332337280.db2.gz MJBVXJXJOQEAOZ-CYBMUJFWSA-N 1 2 288.351 0.691 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000491811847 332364357 /nfs/dbraw/zinc/36/43/57/332364357.db2.gz MPILAFGIDRSRDR-UHFFFAOYSA-N 1 2 279.384 0.904 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000491811847 332364359 /nfs/dbraw/zinc/36/43/59/332364359.db2.gz MPILAFGIDRSRDR-UHFFFAOYSA-N 1 2 279.384 0.904 20 30 CCEDLO C[C@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000521980282 333229205 /nfs/dbraw/zinc/22/92/05/333229205.db2.gz GZVUPGLKRRSYON-SECBINFHSA-N 1 2 256.269 0.552 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523093505 333308231 /nfs/dbraw/zinc/30/82/31/333308231.db2.gz ZUCCASBDNHHRPY-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523093505 333308232 /nfs/dbraw/zinc/30/82/32/333308232.db2.gz ZUCCASBDNHHRPY-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000074171404 333990707 /nfs/dbraw/zinc/99/07/07/333990707.db2.gz IVRCVBRJXPZEJV-UHFFFAOYSA-N 1 2 298.346 0.073 20 30 CCEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(=O)[nH][nH]1)C(C)C ZINC000133116914 334017557 /nfs/dbraw/zinc/01/75/57/334017557.db2.gz PFPIZKJFEDNFGZ-LLVKDONJSA-N 1 2 293.371 0.526 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857465 334054811 /nfs/dbraw/zinc/05/48/11/334054811.db2.gz DTPIODNDLRUYEE-GFCCVEGCSA-N 1 2 278.356 0.483 20 30 CCEDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577283259 335335405 /nfs/dbraw/zinc/33/54/05/335335405.db2.gz QRQGNMDFUUVYND-GFCCVEGCSA-N 1 2 279.300 0.507 20 30 CCEDLO CC1(C(N)=O)C[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000577495914 335359424 /nfs/dbraw/zinc/35/94/24/335359424.db2.gz BJXORZXUOGIJPC-UHFFFAOYSA-N 1 2 274.280 0.774 20 30 CCEDLO CC(C)(CNc1cc(C#N)ncn1)[NH+]1CCOCC1 ZINC000578685914 335663627 /nfs/dbraw/zinc/66/36/27/335663627.db2.gz ZBXVKNPPKBACPF-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C)CC1 ZINC000282146237 517301345 /nfs/dbraw/zinc/30/13/45/517301345.db2.gz GOEFRVTVOMPFIP-UHFFFAOYSA-N 1 2 259.357 0.523 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000271447020 534394632 /nfs/dbraw/zinc/39/46/32/534394632.db2.gz WPOUPNRZWWVUSR-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC(CO)C1)CCC2 ZINC000330054717 534511516 /nfs/dbraw/zinc/51/15/16/534511516.db2.gz SLZRIALBQOKHGY-LBPRGKRZSA-N 1 2 278.356 0.907 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](O)C1 ZINC000061710326 526164573 /nfs/dbraw/zinc/16/45/73/526164573.db2.gz PZQKLGCUOHFJBO-PWSUYJOCSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](O)C1 ZINC000061710326 526164584 /nfs/dbraw/zinc/16/45/84/526164584.db2.gz PZQKLGCUOHFJBO-PWSUYJOCSA-N 1 2 259.309 0.952 20 30 CCEDLO C=CCOCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000665710752 545104833 /nfs/dbraw/zinc/10/48/33/545104833.db2.gz KGARPJLQVFAGBN-SNVBAGLBSA-N 1 2 252.318 0.884 20 30 CCEDLO C=CCOCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000665710752 545104834 /nfs/dbraw/zinc/10/48/34/545104834.db2.gz KGARPJLQVFAGBN-SNVBAGLBSA-N 1 2 252.318 0.884 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)C1=O ZINC000352672609 526510343 /nfs/dbraw/zinc/51/03/43/526510343.db2.gz VFEZJWFYSXGPLX-IHRRRGAJSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2[C@@H]2CCCO2)C1=O ZINC000352672609 526510348 /nfs/dbraw/zinc/51/03/48/526510348.db2.gz VFEZJWFYSXGPLX-IHRRRGAJSA-N 1 2 280.368 0.653 20 30 CCEDLO CC(=O)N1CC[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000330186802 526654566 /nfs/dbraw/zinc/65/45/66/526654566.db2.gz SJGMUTRZOTZWBM-AAEUAGOBSA-N 1 2 283.372 0.532 20 30 CCEDLO CC(=O)N1CC[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000330186802 526654569 /nfs/dbraw/zinc/65/45/69/526654569.db2.gz SJGMUTRZOTZWBM-AAEUAGOBSA-N 1 2 283.372 0.532 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000061707748 526771399 /nfs/dbraw/zinc/77/13/99/526771399.db2.gz KKJKYLNLPQJRFX-SECBINFHSA-N 1 2 251.311 0.625 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000061707748 526771406 /nfs/dbraw/zinc/77/14/06/526771406.db2.gz KKJKYLNLPQJRFX-SECBINFHSA-N 1 2 251.311 0.625 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294950 527396121 /nfs/dbraw/zinc/39/61/21/527396121.db2.gz WCMADFPODJEHLV-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[C@H](CO)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080442 545228161 /nfs/dbraw/zinc/22/81/61/545228161.db2.gz QUYSBBXNXXXKLR-SNVBAGLBSA-N 1 2 264.329 0.628 20 30 CCEDLO CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000329236159 528709640 /nfs/dbraw/zinc/70/96/40/528709640.db2.gz JHAWAOZALJZQEN-OLZOCXBDSA-N 1 2 285.388 0.588 20 30 CCEDLO CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000329236159 528709645 /nfs/dbraw/zinc/70/96/45/528709645.db2.gz JHAWAOZALJZQEN-OLZOCXBDSA-N 1 2 285.388 0.588 20 30 CCEDLO COCC#CC[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000677132990 545358201 /nfs/dbraw/zinc/35/82/01/545358201.db2.gz BQHBNNKDKVSLGI-UHFFFAOYSA-N 1 2 276.340 0.257 20 30 CCEDLO COCC#CC[N@H+](C)CC(=O)NCc1ccccc1 ZINC000677818892 545373410 /nfs/dbraw/zinc/37/34/10/545373410.db2.gz KULJKYXPTWGUBL-UHFFFAOYSA-N 1 2 260.337 0.884 20 30 CCEDLO COCC#CC[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000677818892 545373411 /nfs/dbraw/zinc/37/34/11/545373411.db2.gz KULJKYXPTWGUBL-UHFFFAOYSA-N 1 2 260.337 0.884 20 30 CCEDLO COCC#CC[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000680866460 545436765 /nfs/dbraw/zinc/43/67/65/545436765.db2.gz ZFNRIYFQSPANRM-UHFFFAOYSA-N 1 2 276.340 0.257 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CN(C(C)=O)C1 ZINC001017509904 649889498 /nfs/dbraw/zinc/88/94/98/649889498.db2.gz RRXDBZHKKSERAB-GASCZTMLSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CN(C(C)=O)C1 ZINC001017509904 649889501 /nfs/dbraw/zinc/88/95/01/649889501.db2.gz RRXDBZHKKSERAB-GASCZTMLSA-N 1 2 289.379 0.163 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000777638795 581126698 /nfs/dbraw/zinc/12/66/98/581126698.db2.gz YFHYZQOIJHQFCE-RWMBFGLXSA-N 1 2 288.351 0.678 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC=CO1 ZINC000777854306 581136818 /nfs/dbraw/zinc/13/68/18/581136818.db2.gz FVXDGXXFHLJQBR-AWEZNQCLSA-N 1 2 293.367 0.754 20 30 CCEDLO CC(N=Nc1ncnc2c1cnn2C)c1[nH]cc[nH+]1 ZINC000790157522 581178328 /nfs/dbraw/zinc/17/83/28/581178328.db2.gz DTGIZDIVPBEKDP-UHFFFAOYSA-N 1 2 256.273 0.923 20 30 CCEDLO COc1cc(C=NNC2=[NH+]C[C@@H](C)N2)c([N+](=O)[O-])cc1O ZINC000779791923 581205053 /nfs/dbraw/zinc/20/50/53/581205053.db2.gz NOLIXJBZEHBJLQ-SSDOTTSWSA-N 1 2 293.283 0.580 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(F)c(O)c(F)c2)N1 ZINC000779794266 581205687 /nfs/dbraw/zinc/20/56/87/581205687.db2.gz FRMDNRDPUWMYNB-LURJTMIESA-N 1 2 254.240 0.942 20 30 CCEDLO C=C(CO)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000791349882 581216450 /nfs/dbraw/zinc/21/64/50/581216450.db2.gz CSFQWPHTRDNJDG-UHFFFAOYSA-N 1 2 258.281 0.432 20 30 CCEDLO N#Cc1cccc(-c2nnc(CO[NH+]=C(N)CCO)o2)c1 ZINC000780126100 581220338 /nfs/dbraw/zinc/22/03/38/581220338.db2.gz SVZFNYFXWTZBHB-UHFFFAOYSA-N 1 2 287.279 0.989 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000780500582 581231300 /nfs/dbraw/zinc/23/13/00/581231300.db2.gz HAFVHVZMUVULPN-CQSZACIVSA-N 1 2 265.401 0.932 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000780500582 581231302 /nfs/dbraw/zinc/23/13/02/581231302.db2.gz HAFVHVZMUVULPN-CQSZACIVSA-N 1 2 265.401 0.932 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792302149 581258043 /nfs/dbraw/zinc/25/80/43/581258043.db2.gz NTJWILYXZPRMMP-UHFFFAOYSA-N 1 2 258.281 0.772 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792302149 581258045 /nfs/dbraw/zinc/25/80/45/581258045.db2.gz NTJWILYXZPRMMP-UHFFFAOYSA-N 1 2 258.281 0.772 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355042 581265705 /nfs/dbraw/zinc/26/57/05/581265705.db2.gz WEONKTLNEPKUOS-VIFPVBQESA-N 1 2 261.272 0.720 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355042 581265707 /nfs/dbraw/zinc/26/57/07/581265707.db2.gz WEONKTLNEPKUOS-VIFPVBQESA-N 1 2 261.272 0.720 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000781346547 581265817 /nfs/dbraw/zinc/26/58/17/581265817.db2.gz JLVWSCOUFDGLNM-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000781346547 581265820 /nfs/dbraw/zinc/26/58/20/581265820.db2.gz JLVWSCOUFDGLNM-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO C[C@H](C(=O)NO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000782170114 581290646 /nfs/dbraw/zinc/29/06/46/581290646.db2.gz WUDLNUVKYKPWNR-SNVBAGLBSA-N 1 2 267.304 0.842 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1c[nH]c(C(=O)OCC)n1 ZINC000793957374 581323135 /nfs/dbraw/zinc/32/31/35/581323135.db2.gz BJMCVAAASOAIQT-JTQLQIEISA-N 1 2 290.323 0.623 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1c[nH]c(C(=O)OCC)n1 ZINC000793957374 581323137 /nfs/dbraw/zinc/32/31/37/581323137.db2.gz BJMCVAAASOAIQT-JTQLQIEISA-N 1 2 290.323 0.623 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000783625642 581353597 /nfs/dbraw/zinc/35/35/97/581353597.db2.gz XIJDTQHAVFGOOZ-AWEZNQCLSA-N 1 2 264.369 0.705 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796344953 581353922 /nfs/dbraw/zinc/35/39/22/581353922.db2.gz KCUZXNCFYAYRKI-UPJWGTAASA-N 1 2 254.330 0.795 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796344953 581353926 /nfs/dbraw/zinc/35/39/26/581353926.db2.gz KCUZXNCFYAYRKI-UPJWGTAASA-N 1 2 254.330 0.795 20 30 CCEDLO C#CCOCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000784227401 581376780 /nfs/dbraw/zinc/37/67/80/581376780.db2.gz SVBVEBDVHSXXJM-UHFFFAOYSA-N 1 2 264.329 0.612 20 30 CCEDLO C#CCOCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000784546446 581388171 /nfs/dbraw/zinc/38/81/71/581388171.db2.gz VSACVUPNZDDWHR-UHFFFAOYSA-N 1 2 272.308 0.783 20 30 CCEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(C#N)ncn3)CC2)S1 ZINC000784595863 581390172 /nfs/dbraw/zinc/39/01/72/581390172.db2.gz CUYPTGOHWQNSRE-JTQLQIEISA-N 1 2 288.380 0.962 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)[nH]1 ZINC000784916941 581398465 /nfs/dbraw/zinc/39/84/65/581398465.db2.gz AKYQCJPVOMSSQH-SNVBAGLBSA-N 1 2 263.297 0.764 20 30 CCEDLO C#CCNC(=O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000795123210 581398848 /nfs/dbraw/zinc/39/88/48/581398848.db2.gz QKRKGKDPGPOQDB-CHWSQXEVSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000786442363 581440927 /nfs/dbraw/zinc/44/09/27/581440927.db2.gz FXCPTXIUTIPOJG-DMDPSCGWSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000786442363 581440932 /nfs/dbraw/zinc/44/09/32/581440932.db2.gz FXCPTXIUTIPOJG-DMDPSCGWSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557818 581443796 /nfs/dbraw/zinc/44/37/96/581443796.db2.gz IMDDQTAFIRRYTJ-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557818 581443798 /nfs/dbraw/zinc/44/37/98/581443798.db2.gz IMDDQTAFIRRYTJ-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@]2(CCCOC2)O1 ZINC000796609993 581446389 /nfs/dbraw/zinc/44/63/89/581446389.db2.gz DBROLZAOVFVCHT-OCCSQVGLSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@]2(CCCOC2)O1 ZINC000796609993 581446390 /nfs/dbraw/zinc/44/63/90/581446390.db2.gz DBROLZAOVFVCHT-OCCSQVGLSA-N 1 2 281.356 0.286 20 30 CCEDLO CCOCCOCC[N@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000787240829 581462557 /nfs/dbraw/zinc/46/25/57/581462557.db2.gz RHJVJIZOBIYXNZ-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO CCOCCOCC[N@@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000787240829 581462558 /nfs/dbraw/zinc/46/25/58/581462558.db2.gz RHJVJIZOBIYXNZ-UHFFFAOYSA-N 1 2 293.367 0.971 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000728857768 581510650 /nfs/dbraw/zinc/51/06/50/581510650.db2.gz XGWGCBMAJYKCHH-INIZCTEOSA-N 1 2 299.374 1.000 20 30 CCEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1ccc(F)cc1 ZINC000752758192 581515407 /nfs/dbraw/zinc/51/54/07/581515407.db2.gz BPXHRJJHDCITEE-UHFFFAOYSA-N 1 2 265.288 0.989 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000733985778 581539456 /nfs/dbraw/zinc/53/94/56/581539456.db2.gz LOGAAILRQCBQGS-UHFFFAOYSA-N 1 2 252.277 0.957 20 30 CCEDLO CC(C)(C#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896879 581564545 /nfs/dbraw/zinc/56/45/45/581564545.db2.gz NMSRELRFJRPVAV-PHIMTYICSA-N 1 2 252.314 0.943 20 30 CCEDLO CC(C)(C#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896879 581564547 /nfs/dbraw/zinc/56/45/47/581564547.db2.gz NMSRELRFJRPVAV-PHIMTYICSA-N 1 2 252.314 0.943 20 30 CCEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCC#N)[C@H]2C1 ZINC000755052152 581623193 /nfs/dbraw/zinc/62/31/93/581623193.db2.gz AOKVEEHRXCKZQQ-FRRDWIJNSA-N 1 2 281.356 0.285 20 30 CCEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCC#N)[C@H]2C1 ZINC000755052152 581623196 /nfs/dbraw/zinc/62/31/96/581623196.db2.gz AOKVEEHRXCKZQQ-FRRDWIJNSA-N 1 2 281.356 0.285 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000739914630 581634236 /nfs/dbraw/zinc/63/42/36/581634236.db2.gz MMNBVMNSRSXAKH-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000739914630 581634238 /nfs/dbraw/zinc/63/42/38/581634238.db2.gz MMNBVMNSRSXAKH-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO CCNc1nc(N=NCc2c[nH+]cn2C)nc(NCC)n1 ZINC000755512719 581643409 /nfs/dbraw/zinc/64/34/09/581643409.db2.gz TTWFVRDVSCHUPT-UHFFFAOYSA-N 1 2 289.347 0.915 20 30 CCEDLO C#CCOCCC(=O)O[C@@H]1CCC[N@@H+](CC(=O)OCC)C1 ZINC000756566774 581671961 /nfs/dbraw/zinc/67/19/61/581671961.db2.gz FZHFFHCMLCZGPM-CYBMUJFWSA-N 1 2 297.351 0.597 20 30 CCEDLO C#CCOCCC(=O)O[C@@H]1CCC[N@H+](CC(=O)OCC)C1 ZINC000756566774 581671963 /nfs/dbraw/zinc/67/19/63/581671963.db2.gz FZHFFHCMLCZGPM-CYBMUJFWSA-N 1 2 297.351 0.597 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000756937510 581685571 /nfs/dbraw/zinc/68/55/71/581685571.db2.gz XUXDEOMIOWBYCB-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO Cc1[nH+]cc(C=NNCC(N)=O)n1-c1ccccc1 ZINC000758903681 581775314 /nfs/dbraw/zinc/77/53/14/581775314.db2.gz JPIJFICBKBKHDX-UHFFFAOYSA-N 1 2 257.297 0.590 20 30 CCEDLO C#Cc1cccc(NC(=O)CNC(=O)Cn2cc[nH+]c2)c1 ZINC000742245199 581775876 /nfs/dbraw/zinc/77/58/76/581775876.db2.gz GJQHYOYVPBBSNT-UHFFFAOYSA-N 1 2 282.303 0.619 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000771147474 581793532 /nfs/dbraw/zinc/79/35/32/581793532.db2.gz QSFVUPKBMYERGM-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2nnnn2C)c1 ZINC000771522019 581806411 /nfs/dbraw/zinc/80/64/11/581806411.db2.gz XAGOAXMGZRCQIZ-ZROIWOOFSA-N 1 2 275.312 0.976 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000732203898 581808883 /nfs/dbraw/zinc/80/88/83/581808883.db2.gz LEDANJPNRZBABD-ZDUSSCGKSA-N 1 2 280.372 0.604 20 30 CCEDLO CC(=NOCC(N)=O)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000771578806 581810732 /nfs/dbraw/zinc/81/07/32/581810732.db2.gz RTYVPGYNWMGMJK-OAHLLOKOSA-N 1 2 291.351 0.938 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732357086 581821052 /nfs/dbraw/zinc/82/10/52/581821052.db2.gz CUPWXPPHBOUQPB-GFCCVEGCSA-N 1 2 299.330 0.866 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCN1C1CC1 ZINC000732649469 581838974 /nfs/dbraw/zinc/83/89/74/581838974.db2.gz WPNKIJWNZKEDRK-CQSZACIVSA-N 1 2 287.367 0.862 20 30 CCEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1CCCO1 ZINC000772259272 581849311 /nfs/dbraw/zinc/84/93/11/581849311.db2.gz SIOSIHLXWSADMM-GHMZBOCLSA-N 1 2 257.297 0.956 20 30 CCEDLO Cc1cc(NCCNC(=O)C2N=CC=CC2=O)nc[nH+]1 ZINC000732920675 581854535 /nfs/dbraw/zinc/85/45/35/581854535.db2.gz HIHHFPAXWNBBIN-SEYXRHQNSA-N 1 2 273.296 0.723 20 30 CCEDLO C=CCN1CC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000760920632 581880179 /nfs/dbraw/zinc/88/01/79/581880179.db2.gz PTTVHYWBKCZUCV-UHFFFAOYSA-N 1 2 267.329 0.159 20 30 CCEDLO Cc1ncc(CO)c(/C=[NH+]/CCc2ccn(C)n2)c1O ZINC000761014469 581882752 /nfs/dbraw/zinc/88/27/52/581882752.db2.gz FXNZFQDYAKGORC-OVCLIPMQSA-N 1 2 274.324 0.983 20 30 CCEDLO C#C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCCO1 ZINC000772885874 581895587 /nfs/dbraw/zinc/89/55/87/581895587.db2.gz BQIJRVRVDQCMAT-KBPBESRZSA-N 1 2 292.379 0.538 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000773954858 581949338 /nfs/dbraw/zinc/94/93/38/581949338.db2.gz OHSVBQJZXATETB-NSHDSACASA-N 1 2 297.318 0.686 20 30 CCEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)[C@H]1CCSC1 ZINC000773967468 581950179 /nfs/dbraw/zinc/95/01/79/581950179.db2.gz MIZFPOUICQEWTC-NWDGAFQWSA-N 1 2 295.408 0.755 20 30 CCEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)[C@H]1CCSC1 ZINC000773967468 581950180 /nfs/dbraw/zinc/95/01/80/581950180.db2.gz MIZFPOUICQEWTC-NWDGAFQWSA-N 1 2 295.408 0.755 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[NH+]2CCOCC2)cn1 ZINC000747704296 581950580 /nfs/dbraw/zinc/95/05/80/581950580.db2.gz YTMHJJPJHXECMV-UHFFFAOYSA-N 1 2 261.281 0.442 20 30 CCEDLO CC(=[NH+]NCC(C)(C)S(C)(=O)=O)c1csc(N)n1 ZINC000774480795 581975754 /nfs/dbraw/zinc/97/57/54/581975754.db2.gz DUSFVFHCWCDMOB-UHFFFAOYSA-N 1 2 290.414 0.862 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C(/C)C(=O)OC)CC1 ZINC000748810506 581988320 /nfs/dbraw/zinc/98/83/20/581988320.db2.gz UMVZMTRWSPQZNI-ACAGNQJTSA-N 1 2 295.383 0.026 20 30 CCEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCCO1 ZINC000775340917 582019549 /nfs/dbraw/zinc/01/95/49/582019549.db2.gz NEMXFELTKSVGPO-DGCLKSJQSA-N 1 2 297.318 0.573 20 30 CCEDLO C#CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750245545 582039136 /nfs/dbraw/zinc/03/91/36/582039136.db2.gz JBGXRLBJUSOODH-UHFFFAOYSA-N 1 2 274.324 0.534 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957780242 613235523 /nfs/dbraw/zinc/23/55/23/613235523.db2.gz NQIFUPYFVCCOLX-VHSXEESVSA-N 1 2 277.162 0.324 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957780242 613235525 /nfs/dbraw/zinc/23/55/25/613235525.db2.gz NQIFUPYFVCCOLX-VHSXEESVSA-N 1 2 277.162 0.324 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000853678103 612987359 /nfs/dbraw/zinc/98/73/59/612987359.db2.gz AWGGXYKRCOIMHA-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCCN(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000853678103 612987361 /nfs/dbraw/zinc/98/73/61/612987361.db2.gz AWGGXYKRCOIMHA-AWEZNQCLSA-N 1 2 297.399 0.388 20 30 CCEDLO C#CCO[C@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000835330039 613004072 /nfs/dbraw/zinc/00/40/72/613004072.db2.gz OVHFSKYYXHXFIY-LLVKDONJSA-N 1 2 250.298 0.934 20 30 CCEDLO C#CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870989675 612945668 /nfs/dbraw/zinc/94/56/68/612945668.db2.gz MKKZLOMPLUGRME-UHFFFAOYSA-N 1 2 261.350 0.884 20 30 CCEDLO C#CC(C)(C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932754485 612946030 /nfs/dbraw/zinc/94/60/30/612946030.db2.gz JIXFLOMIKUEASS-OLZOCXBDSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)Cn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852963843 612946179 /nfs/dbraw/zinc/94/61/79/612946179.db2.gz YTASSKIBPXGGQC-ZDUSSCGKSA-N 1 2 290.367 0.252 20 30 CCEDLO C#CCNC(=O)Cn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852963843 612946180 /nfs/dbraw/zinc/94/61/80/612946180.db2.gz YTASSKIBPXGGQC-ZDUSSCGKSA-N 1 2 290.367 0.252 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000925609521 612948192 /nfs/dbraw/zinc/94/81/92/612948192.db2.gz VIBVHKWMDHOINK-GFCCVEGCSA-N 1 2 283.347 0.464 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007207229 649931238 /nfs/dbraw/zinc/93/12/38/649931238.db2.gz WYSGYDNPVJQTPH-ZDUSSCGKSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007207229 649931240 /nfs/dbraw/zinc/93/12/40/649931240.db2.gz WYSGYDNPVJQTPH-ZDUSSCGKSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000823052261 613027982 /nfs/dbraw/zinc/02/79/82/613027982.db2.gz CRMRVHKWBIEQMD-STQMWFEESA-N 1 2 263.341 0.971 20 30 CCEDLO C#CC1(O)CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000890526061 612953919 /nfs/dbraw/zinc/95/39/19/612953919.db2.gz GNUPNLSNABTYDO-VIFPVBQESA-N 1 2 287.241 0.583 20 30 CCEDLO C#CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000925434423 612970260 /nfs/dbraw/zinc/97/02/60/612970260.db2.gz KCFFFWNNHPXBBG-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO CSCCNC(=S)NN=Cc1c[nH+]c(C)n1C ZINC000853327125 617236879 /nfs/dbraw/zinc/23/68/79/617236879.db2.gz BDJJVPHBOQLWAD-UHFFFAOYSA-N 1 2 271.415 0.890 20 30 CCEDLO C#CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000933484759 612945541 /nfs/dbraw/zinc/94/55/41/612945541.db2.gz QHSUYIDJMLLAQZ-UHFFFAOYSA-N 1 2 285.347 0.839 20 30 CCEDLO C#CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000925434423 612970259 /nfs/dbraw/zinc/97/02/59/612970259.db2.gz KCFFFWNNHPXBBG-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000931701207 612973387 /nfs/dbraw/zinc/97/33/87/612973387.db2.gz XQLQBIDGSIYBJP-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CCOCC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000851841629 612981908 /nfs/dbraw/zinc/98/19/08/612981908.db2.gz VYNHYNFQAVICLU-LBPRGKRZSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CCOCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000851841629 612981909 /nfs/dbraw/zinc/98/19/09/612981909.db2.gz VYNHYNFQAVICLU-LBPRGKRZSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000851715822 612982880 /nfs/dbraw/zinc/98/28/80/612982880.db2.gz CLRBVQDSQNNFBB-UHFFFAOYSA-N 1 2 252.358 0.827 20 30 CCEDLO C#CCOCC[N@H+]1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933209570 612983968 /nfs/dbraw/zinc/98/39/68/612983968.db2.gz YOESZDUTMXIQFL-ZNMIVQPWSA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933209570 612983969 /nfs/dbraw/zinc/98/39/69/612983969.db2.gz YOESZDUTMXIQFL-ZNMIVQPWSA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC000957466931 612993133 /nfs/dbraw/zinc/99/31/33/612993133.db2.gz ZZKNQLYHVCCMOP-UHFFFAOYSA-N 1 2 289.383 0.776 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000826574715 612994892 /nfs/dbraw/zinc/99/48/92/612994892.db2.gz UHAMTHRZNDFQSP-AWEZNQCLSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CCOc1cccc(Cl)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862446379 613007263 /nfs/dbraw/zinc/00/72/63/613007263.db2.gz YOSVCBGZAHNRRJ-STQMWFEESA-N 1 2 281.739 0.889 20 30 CCEDLO C#CCC[N@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000839117207 613010644 /nfs/dbraw/zinc/01/06/44/613010644.db2.gz YOVJSYRJZKLYFY-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[N@@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000839117207 613010645 /nfs/dbraw/zinc/01/06/45/613010645.db2.gz YOVJSYRJZKLYFY-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858949263 613050843 /nfs/dbraw/zinc/05/08/43/613050843.db2.gz LZGFSTLSLSKWHZ-NEPJUHHUSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000854541450 613056468 /nfs/dbraw/zinc/05/64/68/613056468.db2.gz IJPYUJYAFDGPKL-HZSPNIEDSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000854541450 613056469 /nfs/dbraw/zinc/05/64/69/613056469.db2.gz IJPYUJYAFDGPKL-HZSPNIEDSA-N 1 2 282.384 0.376 20 30 CCEDLO C#CCN(C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924777053 613071726 /nfs/dbraw/zinc/07/17/26/613071726.db2.gz AJCVIIRAWKFBQE-UHFFFAOYSA-N 1 2 266.370 0.979 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000888038197 613073455 /nfs/dbraw/zinc/07/34/55/613073455.db2.gz PKPWBSLOHLMTJD-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000888038197 613073457 /nfs/dbraw/zinc/07/34/57/613073457.db2.gz PKPWBSLOHLMTJD-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000834603007 613077115 /nfs/dbraw/zinc/07/71/15/613077115.db2.gz HRZRQMMLTJLTID-NSHDSACASA-N 1 2 271.324 0.734 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000834603007 613077117 /nfs/dbraw/zinc/07/71/17/613077117.db2.gz HRZRQMMLTJLTID-NSHDSACASA-N 1 2 271.324 0.734 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907775332 613078946 /nfs/dbraw/zinc/07/89/46/613078946.db2.gz UPERYUUZIRAIPS-KXXVWKPMSA-N 1 2 250.342 0.745 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCO1 ZINC000832417364 613098327 /nfs/dbraw/zinc/09/83/27/613098327.db2.gz FYWNSUFHNGMLGP-HKUMRIAESA-N 1 2 273.336 0.821 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793856 613099196 /nfs/dbraw/zinc/09/91/96/613099196.db2.gz LPGWRFFPMQUCAY-ZDUSSCGKSA-N 1 2 276.336 0.109 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819697941 613100502 /nfs/dbraw/zinc/10/05/02/613100502.db2.gz ORROKXOTKLPAAT-OAHLLOKOSA-N 1 2 295.346 0.859 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819697941 613100503 /nfs/dbraw/zinc/10/05/03/613100503.db2.gz ORROKXOTKLPAAT-OAHLLOKOSA-N 1 2 295.346 0.859 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000821771749 613109645 /nfs/dbraw/zinc/10/96/45/613109645.db2.gz MMXKVMYSBUDWOW-NXEZZACHSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000821771749 613109647 /nfs/dbraw/zinc/10/96/47/613109647.db2.gz MMXKVMYSBUDWOW-NXEZZACHSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC000941376024 613114691 /nfs/dbraw/zinc/11/46/91/613114691.db2.gz MVYJKXSDNGZEAS-UHFFFAOYSA-N 1 2 273.380 0.558 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC000941590201 613115099 /nfs/dbraw/zinc/11/50/99/613115099.db2.gz GHHNREQBHVWMRN-AWEZNQCLSA-N 1 2 277.412 0.740 20 30 CCEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000852305248 613136096 /nfs/dbraw/zinc/13/60/96/613136096.db2.gz VZNNANMJVBGYDX-KGLIPLIRSA-N 1 2 279.384 0.760 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000856106765 613146372 /nfs/dbraw/zinc/14/63/72/613146372.db2.gz ZEZDQMCGWOGGBV-HIFRSBDPSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@H]1CCCO1 ZINC000865531041 613150883 /nfs/dbraw/zinc/15/08/83/613150883.db2.gz FDRFJDARBOVXKP-AEGPPILISA-N 1 2 290.367 0.585 20 30 CCEDLO C#C[C@H]([C@@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804178712 613153804 /nfs/dbraw/zinc/15/38/04/613153804.db2.gz VPNTUKMIBHBPHR-TUAOUCFPSA-N 1 2 288.307 0.053 20 30 CCEDLO C#C[C@H]([C@@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804178712 613153806 /nfs/dbraw/zinc/15/38/06/613153806.db2.gz VPNTUKMIBHBPHR-TUAOUCFPSA-N 1 2 288.307 0.053 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000981587747 613157738 /nfs/dbraw/zinc/15/77/38/613157738.db2.gz PUEKSKJWAGGXPY-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000981587747 613157739 /nfs/dbraw/zinc/15/77/39/613157739.db2.gz PUEKSKJWAGGXPY-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854918138 613161631 /nfs/dbraw/zinc/16/16/31/613161631.db2.gz YYFICVDYLRZIHZ-QJPTWQEYSA-N 1 2 259.309 0.384 20 30 CCEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000852103998 613164358 /nfs/dbraw/zinc/16/43/58/613164358.db2.gz YCAHBSJTVKKAFT-CQSZACIVSA-N 1 2 277.372 0.991 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(C)n2)C1 ZINC000896491085 613170169 /nfs/dbraw/zinc/17/01/69/613170169.db2.gz YYFOWBRKNZHVKR-LLVKDONJSA-N 1 2 276.344 0.010 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(C)n2)C1 ZINC000896491085 613170171 /nfs/dbraw/zinc/17/01/71/613170171.db2.gz YYFOWBRKNZHVKR-LLVKDONJSA-N 1 2 276.344 0.010 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000885513848 613176117 /nfs/dbraw/zinc/17/61/17/613176117.db2.gz IBKHFVJSEINHLN-ZIAGYGMSSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000885513848 613176119 /nfs/dbraw/zinc/17/61/19/613176119.db2.gz IBKHFVJSEINHLN-ZIAGYGMSSA-N 1 2 299.440 0.793 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)nc1 ZINC000874702899 613178113 /nfs/dbraw/zinc/17/81/13/613178113.db2.gz PJUVKXPVHKLOSI-CQSZACIVSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)nc1 ZINC000874702899 613178114 /nfs/dbraw/zinc/17/81/14/613178114.db2.gz PJUVKXPVHKLOSI-CQSZACIVSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)cc1 ZINC000970255421 613182772 /nfs/dbraw/zinc/18/27/72/613182772.db2.gz HKTNVVVXUHRCMP-NSHDSACASA-N 1 2 285.347 0.203 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC000923558169 613191187 /nfs/dbraw/zinc/19/11/87/613191187.db2.gz WSVWWUHOKXRPDY-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC000923558169 613191188 /nfs/dbraw/zinc/19/11/88/613191188.db2.gz WSVWWUHOKXRPDY-NSHDSACASA-N 1 2 277.324 0.901 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000855445267 613196653 /nfs/dbraw/zinc/19/66/53/613196653.db2.gz LPZPYDXDFPXXIK-WDEREUQCSA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000855445267 613196654 /nfs/dbraw/zinc/19/66/54/613196654.db2.gz LPZPYDXDFPXXIK-WDEREUQCSA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000907401900 613197093 /nfs/dbraw/zinc/19/70/93/613197093.db2.gz GFIZIQBQISCPSF-YPMHNXCESA-N 1 2 287.367 0.405 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000907401900 613197095 /nfs/dbraw/zinc/19/70/95/613197095.db2.gz GFIZIQBQISCPSF-YPMHNXCESA-N 1 2 287.367 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccsc1 ZINC000807261969 613201308 /nfs/dbraw/zinc/20/13/08/613201308.db2.gz IMJKUPLHUMFFRC-STQMWFEESA-N 1 2 278.377 0.995 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccsc1 ZINC000807261969 613201310 /nfs/dbraw/zinc/20/13/10/613201310.db2.gz IMJKUPLHUMFFRC-STQMWFEESA-N 1 2 278.377 0.995 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000806621276 613207008 /nfs/dbraw/zinc/20/70/08/613207008.db2.gz HQMKJRAIYXGHIT-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000806621276 613207010 /nfs/dbraw/zinc/20/70/10/613207010.db2.gz HQMKJRAIYXGHIT-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC[C@H](C(C)C)C2=O)CC1 ZINC000853489623 613209424 /nfs/dbraw/zinc/20/94/24/613209424.db2.gz FXAMCHNEYUTNAR-CQSZACIVSA-N 1 2 263.385 0.699 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H]3C[C@]3(C(C)C)C2=O)CC1 ZINC000902040315 613209431 /nfs/dbraw/zinc/20/94/31/613209431.db2.gz BBMNRVZKUZTSBN-XJKSGUPXSA-N 1 2 289.379 0.226 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(C)nc3nc(C)nn32)CC1 ZINC000881786189 613209928 /nfs/dbraw/zinc/20/99/28/613209928.db2.gz FJEBGJLBJOTZSO-UHFFFAOYSA-N 1 2 270.340 0.496 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972324984 613213226 /nfs/dbraw/zinc/21/32/26/613213226.db2.gz UHNDMOJWGZPNTN-MRXNPFEDSA-N 1 2 298.346 0.436 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972324984 613213227 /nfs/dbraw/zinc/21/32/27/613213227.db2.gz UHNDMOJWGZPNTN-MRXNPFEDSA-N 1 2 298.346 0.436 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC000957104802 613318854 /nfs/dbraw/zinc/31/88/54/613318854.db2.gz JGHXUQGNRBSTCJ-INIZCTEOSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2COC)CC1 ZINC000948931749 613321384 /nfs/dbraw/zinc/32/13/84/613321384.db2.gz DYOCPSSTJXAKJM-UHFFFAOYSA-N 1 2 292.383 0.900 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC000957490906 613321661 /nfs/dbraw/zinc/32/16/61/613321661.db2.gz HICXZWMPDXFQBZ-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OC2CCC2)CC1 ZINC000830557865 613328674 /nfs/dbraw/zinc/32/86/74/613328674.db2.gz COZYVTIGVPORJB-UHFFFAOYSA-N 1 2 293.367 0.433 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OC2CCC2)CC1 ZINC000830557865 613328675 /nfs/dbraw/zinc/32/86/75/613328675.db2.gz COZYVTIGVPORJB-UHFFFAOYSA-N 1 2 293.367 0.433 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000007356033 613329743 /nfs/dbraw/zinc/32/97/43/613329743.db2.gz FKZIQLJMVODELB-UHFFFAOYSA-N 1 2 287.363 0.567 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880027995 613330567 /nfs/dbraw/zinc/33/05/67/613330567.db2.gz OQDBWBCQOJIXGD-UHFFFAOYSA-N 1 2 285.347 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880027995 613330569 /nfs/dbraw/zinc/33/05/69/613330569.db2.gz OQDBWBCQOJIXGD-UHFFFAOYSA-N 1 2 285.347 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000860048733 613330711 /nfs/dbraw/zinc/33/07/11/613330711.db2.gz BYNVAFZNBFWINQ-AWEZNQCLSA-N 1 2 286.331 0.508 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000860048733 613330713 /nfs/dbraw/zinc/33/07/13/613330713.db2.gz BYNVAFZNBFWINQ-AWEZNQCLSA-N 1 2 286.331 0.508 20 30 CCEDLO C=C(C)CONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000845607856 613353159 /nfs/dbraw/zinc/35/31/59/613353159.db2.gz BNTBACJAXJYWLN-QWHCGFSZSA-N 1 2 283.372 0.999 20 30 CCEDLO C=C(C)CONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000844283970 613353261 /nfs/dbraw/zinc/35/32/61/613353261.db2.gz LARYYBDXXHCUAU-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000916704291 613355842 /nfs/dbraw/zinc/35/58/42/613355842.db2.gz IZYVHFTTWUZPLU-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC000916717488 613355941 /nfs/dbraw/zinc/35/59/41/613355941.db2.gz SMMSZPIEFQKHAR-SNVBAGLBSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000882896596 613358051 /nfs/dbraw/zinc/35/80/51/613358051.db2.gz MDBWZOCUVCOVJP-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867998126 613361762 /nfs/dbraw/zinc/36/17/62/613361762.db2.gz PRDIFUCRJJFTOW-WVSRPDOZSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000969480806 613371600 /nfs/dbraw/zinc/37/16/00/613371600.db2.gz UPIDCEVLPOGIDK-GHMZBOCLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970265039 613371616 /nfs/dbraw/zinc/37/16/16/613371616.db2.gz MMARGNSJBJEUEU-KOLCDFICSA-N 1 2 285.775 0.312 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCNC2=O)C1 ZINC000969883980 613372181 /nfs/dbraw/zinc/37/21/81/613372181.db2.gz LMUGUESSPXYVRA-JQWIXIFHSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000110115565 613374493 /nfs/dbraw/zinc/37/44/93/613374493.db2.gz MQODAVCYZUUCOS-SECBINFHSA-N 1 2 267.782 0.244 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000110115565 613374494 /nfs/dbraw/zinc/37/44/94/613374494.db2.gz MQODAVCYZUUCOS-SECBINFHSA-N 1 2 267.782 0.244 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859424 613380147 /nfs/dbraw/zinc/38/01/47/613380147.db2.gz PAIMUSMFCVCCQN-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000957859424 613380148 /nfs/dbraw/zinc/38/01/48/613380148.db2.gz PAIMUSMFCVCCQN-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC)CC[C@H]2C)C1 ZINC000968207220 613401785 /nfs/dbraw/zinc/40/17/85/613401785.db2.gz AUIPNOKTQVMBGD-OLZOCXBDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)CC[C@H]2C)C1 ZINC000968207220 613401788 /nfs/dbraw/zinc/40/17/88/613401788.db2.gz AUIPNOKTQVMBGD-OLZOCXBDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)C(=O)OC ZINC000905748300 613405700 /nfs/dbraw/zinc/40/57/00/613405700.db2.gz VORUEULTOFGSIM-GFCCVEGCSA-N 1 2 254.330 0.705 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191025 613412523 /nfs/dbraw/zinc/41/25/23/613412523.db2.gz PCXBEDPPPOTXMM-SNVBAGLBSA-N 1 2 265.313 0.602 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191025 613412526 /nfs/dbraw/zinc/41/25/26/613412526.db2.gz PCXBEDPPPOTXMM-SNVBAGLBSA-N 1 2 265.313 0.602 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925591564 613415432 /nfs/dbraw/zinc/41/54/32/613415432.db2.gz BVIASTAUCMQVLN-UONOGXRCSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)C(=O)OC ZINC000905752004 613419089 /nfs/dbraw/zinc/41/90/89/613419089.db2.gz WGXJKLKDFQNZKD-NSHDSACASA-N 1 2 292.401 0.365 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000981754002 613431738 /nfs/dbraw/zinc/43/17/38/613431738.db2.gz QQSBULWWDPRXIN-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000981754002 613431740 /nfs/dbraw/zinc/43/17/40/613431740.db2.gz QQSBULWWDPRXIN-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000949667009 613433290 /nfs/dbraw/zinc/43/32/90/613433290.db2.gz LTNRAVZVDLIWDX-UHFFFAOYSA-N 1 2 277.372 0.635 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000824814372 613452158 /nfs/dbraw/zinc/45/21/58/613452158.db2.gz QKRGTUPDITYKCF-LLVKDONJSA-N 1 2 250.298 0.870 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000824278590 613469434 /nfs/dbraw/zinc/46/94/34/613469434.db2.gz GFKHOYUMEQTVGK-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000824278590 613469435 /nfs/dbraw/zinc/46/94/35/613469435.db2.gz GFKHOYUMEQTVGK-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932022476 613481950 /nfs/dbraw/zinc/48/19/50/613481950.db2.gz UYRBVQVSEFGFNY-WDMOLILDSA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932022476 613481953 /nfs/dbraw/zinc/48/19/53/613481953.db2.gz UYRBVQVSEFGFNY-WDMOLILDSA-N 1 2 282.340 0.925 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854220751 613486752 /nfs/dbraw/zinc/48/67/52/613486752.db2.gz ZBFUVMJRQSHHIP-WOPDTQHZSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854220751 613486753 /nfs/dbraw/zinc/48/67/53/613486753.db2.gz ZBFUVMJRQSHHIP-WOPDTQHZSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912614643 613506017 /nfs/dbraw/zinc/50/60/17/613506017.db2.gz PBFFDRXZHRLQGY-BXUZGUMPSA-N 1 2 281.356 0.799 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000980927138 613548711 /nfs/dbraw/zinc/54/87/11/613548711.db2.gz ZHFHBYXXIIAXTI-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000980927138 613548712 /nfs/dbraw/zinc/54/87/12/613548712.db2.gz ZHFHBYXXIIAXTI-UHFFFAOYSA-N 1 2 275.356 0.295 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC000949534200 613563326 /nfs/dbraw/zinc/56/33/26/613563326.db2.gz QKBQSUFKKOSEKP-UHFFFAOYSA-N 1 2 288.395 0.747 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263641 613570033 /nfs/dbraw/zinc/57/00/33/613570033.db2.gz BNHBEJTWZIZBGG-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972263641 613570035 /nfs/dbraw/zinc/57/00/35/613570035.db2.gz BNHBEJTWZIZBGG-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CC[N@H+](CC[C@@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120533037 613650648 /nfs/dbraw/zinc/65/06/48/613650648.db2.gz METLAJNVXIPZNW-VXGBXAGGSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[N@@H+](CC[C@@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120533037 613650651 /nfs/dbraw/zinc/65/06/51/613650651.db2.gz METLAJNVXIPZNW-VXGBXAGGSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](C(=O)OC)CC1=O)[C@@H](C)COC ZINC000853534634 613651158 /nfs/dbraw/zinc/65/11/58/613651158.db2.gz LCNLSFWNPSLYFK-RYUDHWBXSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](C(=O)OC)CC1=O)[C@@H](C)COC ZINC000853534634 613651159 /nfs/dbraw/zinc/65/11/59/613651159.db2.gz LCNLSFWNPSLYFK-RYUDHWBXSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000950453358 613654692 /nfs/dbraw/zinc/65/46/92/613654692.db2.gz UHVHMVIRHXMLOK-ZDUSSCGKSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000949773719 613655941 /nfs/dbraw/zinc/65/59/41/613655941.db2.gz VQRVXMCPFHHSOV-RYUDHWBXSA-N 1 2 266.341 0.514 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC000951214170 613656408 /nfs/dbraw/zinc/65/64/08/613656408.db2.gz BPUWSCLVYOTFHZ-UHFFFAOYSA-N 1 2 276.340 0.823 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000951616307 613658536 /nfs/dbraw/zinc/65/85/36/613658536.db2.gz HVQHOHIAEUISSR-UHFFFAOYSA-N 1 2 264.329 0.458 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000970734936 613662509 /nfs/dbraw/zinc/66/25/09/613662509.db2.gz JUVRHPCPLNQJRX-GHMZBOCLSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000970734936 613662513 /nfs/dbraw/zinc/66/25/13/613662513.db2.gz JUVRHPCPLNQJRX-GHMZBOCLSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC000956951383 613710035 /nfs/dbraw/zinc/71/00/35/613710035.db2.gz INKJJFAPFSQHGG-ZDUSSCGKSA-N 1 2 276.384 0.929 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC000949421540 613711968 /nfs/dbraw/zinc/71/19/68/613711968.db2.gz JIFOFCMUKFAOAG-CHWSQXEVSA-N 1 2 274.368 0.854 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC000957307382 613714112 /nfs/dbraw/zinc/71/41/12/613714112.db2.gz TWZGOFFIYGSWIB-UHFFFAOYSA-N 1 2 274.368 0.853 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC000957104698 613714126 /nfs/dbraw/zinc/71/41/26/613714126.db2.gz FEQOPUOEFQBDEU-OAHLLOKOSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972207976 613722224 /nfs/dbraw/zinc/72/22/24/613722224.db2.gz QOALENXMZBAJOB-AWEZNQCLSA-N 1 2 250.342 0.886 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972207976 613722225 /nfs/dbraw/zinc/72/22/25/613722225.db2.gz QOALENXMZBAJOB-AWEZNQCLSA-N 1 2 250.342 0.886 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203791 613722358 /nfs/dbraw/zinc/72/23/58/613722358.db2.gz KIXCNHBRSRYBNH-LBPRGKRZSA-N 1 2 260.284 0.741 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203791 613722362 /nfs/dbraw/zinc/72/23/62/613722362.db2.gz KIXCNHBRSRYBNH-LBPRGKRZSA-N 1 2 260.284 0.741 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972378339 613725150 /nfs/dbraw/zinc/72/51/50/613725150.db2.gz QSNLPXHRJFJSFO-MRXNPFEDSA-N 1 2 274.364 0.889 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972378339 613725151 /nfs/dbraw/zinc/72/51/51/613725151.db2.gz QSNLPXHRJFJSFO-MRXNPFEDSA-N 1 2 274.364 0.889 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 ZINC000972277077 613726744 /nfs/dbraw/zinc/72/67/44/613726744.db2.gz VBBNRSCJTFOGJI-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 ZINC000972277077 613726746 /nfs/dbraw/zinc/72/67/46/613726746.db2.gz VBBNRSCJTFOGJI-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000972277077 613726748 /nfs/dbraw/zinc/72/67/48/613726748.db2.gz VBBNRSCJTFOGJI-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000972277077 613726749 /nfs/dbraw/zinc/72/67/49/613726749.db2.gz VBBNRSCJTFOGJI-CQSZACIVSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccncn3)C2)C1 ZINC000972600632 613727771 /nfs/dbraw/zinc/72/77/71/613727771.db2.gz CAJXHJFBDQJKTO-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccncn3)C2)C1 ZINC000972600632 613727776 /nfs/dbraw/zinc/72/77/76/613727776.db2.gz CAJXHJFBDQJKTO-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321448 613771838 /nfs/dbraw/zinc/77/18/38/613771838.db2.gz CCOLSASDGMMTPO-CMPLNLGQSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321448 613771841 /nfs/dbraw/zinc/77/18/41/613771841.db2.gz CCOLSASDGMMTPO-CMPLNLGQSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC1CCOCC1 ZINC000884149662 613877318 /nfs/dbraw/zinc/87/73/18/613877318.db2.gz RJFSTDVKORRQKS-ZDUSSCGKSA-N 1 2 298.383 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1ccccn1 ZINC000884219816 613877509 /nfs/dbraw/zinc/87/75/09/613877509.db2.gz YNXOFMDSZIABMT-ZDUSSCGKSA-N 1 2 291.351 0.877 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1cnn(C)c1 ZINC000884200604 613877511 /nfs/dbraw/zinc/87/75/11/613877511.db2.gz GJJARKOYYRCOQT-LBPRGKRZSA-N 1 2 294.355 0.215 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC1(F)F ZINC000884425193 613878158 /nfs/dbraw/zinc/87/81/58/613878158.db2.gz AFKDHBKCHASRPO-BDAKNGLRSA-N 1 2 276.283 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](OC)C1CCCC1 ZINC000884414776 613878394 /nfs/dbraw/zinc/87/83/94/613878394.db2.gz AZALMDQAZQGPMI-STQMWFEESA-N 1 2 298.383 0.754 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H]2C[C@H]2C)no1 ZINC000904097518 613878899 /nfs/dbraw/zinc/87/88/99/613878899.db2.gz WWWWLUKQBSYRNA-VGMNWLOBSA-N 1 2 251.286 0.792 20 30 CCEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CC#N)CC1 ZINC000871543955 613965967 /nfs/dbraw/zinc/96/59/67/613965967.db2.gz YHKTYTNJJDRETO-UHFFFAOYSA-N 1 2 281.356 0.822 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000755890098 614069512 /nfs/dbraw/zinc/06/95/12/614069512.db2.gz POFGTUZEBCKDAF-SECBINFHSA-N 1 2 259.375 0.784 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[N@H+](C2CC2)C[C@H]1C ZINC000755890098 614069513 /nfs/dbraw/zinc/06/95/13/614069513.db2.gz POFGTUZEBCKDAF-SECBINFHSA-N 1 2 259.375 0.784 20 30 CCEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCO)C1 ZINC000949912556 614724486 /nfs/dbraw/zinc/72/44/86/614724486.db2.gz CHQITTNUBVWWQE-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COc1ccccc1C#N ZINC000859118897 614948933 /nfs/dbraw/zinc/94/89/33/614948933.db2.gz STTRILASRIGMIZ-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@H+](CC(=O)OC)C[C@@H](O)COc1ccccc1C#N ZINC000859118897 614948936 /nfs/dbraw/zinc/94/89/36/614948936.db2.gz STTRILASRIGMIZ-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C ZINC000914289574 615161488 /nfs/dbraw/zinc/16/14/88/615161488.db2.gz RDQIODQFINVYOL-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C ZINC000914289574 615161489 /nfs/dbraw/zinc/16/14/89/615161489.db2.gz RDQIODQFINVYOL-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC000980849780 615275188 /nfs/dbraw/zinc/27/51/88/615275188.db2.gz NPZSJYBFENCGSG-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC000980849780 615275191 /nfs/dbraw/zinc/27/51/91/615275191.db2.gz NPZSJYBFENCGSG-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCOC(=O)[C@H]([NH2+]CCO[C@@H](C)C#N)C1CCOCC1 ZINC000801941367 615368406 /nfs/dbraw/zinc/36/84/06/615368406.db2.gz MQKWBAKNURLDED-WCQYABFASA-N 1 2 284.356 0.863 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801921780 615540941 /nfs/dbraw/zinc/54/09/41/615540941.db2.gz LWCLPETXCLOFHA-WDEREUQCSA-N 1 2 262.375 0.670 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801921780 615540943 /nfs/dbraw/zinc/54/09/43/615540943.db2.gz LWCLPETXCLOFHA-WDEREUQCSA-N 1 2 262.375 0.670 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000874707865 615568937 /nfs/dbraw/zinc/56/89/37/615568937.db2.gz HJAFGVMILNLHJS-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000874707865 615568938 /nfs/dbraw/zinc/56/89/38/615568938.db2.gz HJAFGVMILNLHJS-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456582 615599717 /nfs/dbraw/zinc/59/97/17/615599717.db2.gz MAIRNEJGAMAEPH-ZYHUDNBSSA-N 1 2 261.329 0.443 20 30 CCEDLO CC[C@H](CC#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867420350 615704679 /nfs/dbraw/zinc/70/46/79/615704679.db2.gz UMOIBFIJLMQAIM-AAOUONPWSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccncc1C#N ZINC000895802600 615714791 /nfs/dbraw/zinc/71/47/91/615714791.db2.gz UXSURPQBXUJORE-CYBMUJFWSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928646320 615717830 /nfs/dbraw/zinc/71/78/30/615717830.db2.gz JKAVFRKBBNXRCN-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nccnc1C#N ZINC000895805158 615720651 /nfs/dbraw/zinc/72/06/51/615720651.db2.gz QDVDPPARUZJSAM-LLVKDONJSA-N 1 2 261.329 0.871 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](NCC#N)C1)c1cccnc1 ZINC000970815453 615972085 /nfs/dbraw/zinc/97/20/85/615972085.db2.gz HOZFSPRGAVSUJZ-ZIAGYGMSSA-N 1 2 287.367 0.398 20 30 CCEDLO CN(C)c1nc(N)nc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000016338704 616034960 /nfs/dbraw/zinc/03/49/60/616034960.db2.gz KAPUQRCHENYWPM-UHFFFAOYSA-N 1 2 287.327 0.357 20 30 CCEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC000846329074 616150730 /nfs/dbraw/zinc/15/07/30/616150730.db2.gz METRONRVGDQQRB-AWEZNQCLSA-N 1 2 284.319 0.947 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@H](CO)C1 ZINC000912739993 616229948 /nfs/dbraw/zinc/22/99/48/616229948.db2.gz MFBNAXNJYUFDOA-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@H](CO)C1 ZINC000912739993 616229949 /nfs/dbraw/zinc/22/99/49/616229949.db2.gz MFBNAXNJYUFDOA-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO CN1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](CO)C1 ZINC000879002675 616245267 /nfs/dbraw/zinc/24/52/67/616245267.db2.gz LDDUXWFUEYLGLT-CQSZACIVSA-N 1 2 275.352 0.697 20 30 CCEDLO CN1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](CO)C1 ZINC000879002675 616245268 /nfs/dbraw/zinc/24/52/68/616245268.db2.gz LDDUXWFUEYLGLT-CQSZACIVSA-N 1 2 275.352 0.697 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000930958695 616326517 /nfs/dbraw/zinc/32/65/17/616326517.db2.gz NZSGUUBOYJWJSW-LLVKDONJSA-N 1 2 269.345 0.442 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940071 616528418 /nfs/dbraw/zinc/52/84/18/616528418.db2.gz MGIGYPIABIDHTN-VXGBXAGGSA-N 1 2 257.355 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940071 616528420 /nfs/dbraw/zinc/52/84/20/616528420.db2.gz MGIGYPIABIDHTN-VXGBXAGGSA-N 1 2 257.355 0.003 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)[C@@H](C)CC#N ZINC000851102590 616653170 /nfs/dbraw/zinc/65/31/70/616653170.db2.gz VGQCAKDQZMVVBD-XQQFMLRXSA-N 1 2 284.356 0.815 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)[C@@H](C)CC#N ZINC000851102590 616653172 /nfs/dbraw/zinc/65/31/72/616653172.db2.gz VGQCAKDQZMVVBD-XQQFMLRXSA-N 1 2 284.356 0.815 20 30 CCEDLO Cc1nsc(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)c1C#N ZINC000930516369 625343629 /nfs/dbraw/zinc/34/36/29/625343629.db2.gz BYCOCYJPRXSIDJ-PWSUYJOCSA-N 1 2 296.396 0.187 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@@H]2C1 ZINC001026408745 625436718 /nfs/dbraw/zinc/43/67/18/625436718.db2.gz CGDUOMPAGAXTJK-XQQFMLRXSA-N 1 2 287.367 0.611 20 30 CCEDLO N#CCNC1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026582865 625476241 /nfs/dbraw/zinc/47/62/41/625476241.db2.gz BAIDLJLGXKCQEJ-UHFFFAOYSA-N 1 2 261.329 0.493 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692920 622660990 /nfs/dbraw/zinc/66/09/90/622660990.db2.gz SKMMFCOVZQOBRC-AXFHLTTASA-N 1 2 273.340 0.590 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972244383 622733283 /nfs/dbraw/zinc/73/32/83/622733283.db2.gz WNMNAWCXVHXVMG-HIFRSBDPSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000972244383 622733284 /nfs/dbraw/zinc/73/32/84/622733284.db2.gz WNMNAWCXVHXVMG-HIFRSBDPSA-N 1 2 278.352 0.102 20 30 CCEDLO C[C@@H]1CC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)=NO1 ZINC000935137550 623027344 /nfs/dbraw/zinc/02/73/44/623027344.db2.gz ZKJBMLBFQISQPM-UTUOFQBUSA-N 1 2 297.355 0.105 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657581 623095627 /nfs/dbraw/zinc/09/56/27/623095627.db2.gz SCFPTASJUNTKLW-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657581 623095633 /nfs/dbraw/zinc/09/56/33/623095633.db2.gz SCFPTASJUNTKLW-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657581 623095641 /nfs/dbraw/zinc/09/56/41/623095641.db2.gz SCFPTASJUNTKLW-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657581 623095649 /nfs/dbraw/zinc/09/56/49/623095649.db2.gz SCFPTASJUNTKLW-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO O=C(NCC#CCO)NCc1cn2c([nH+]1)CCCC2 ZINC000923783472 623479167 /nfs/dbraw/zinc/47/91/67/623479167.db2.gz XMPNFVABYGFAMX-UHFFFAOYSA-N 1 2 262.313 0.014 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687135 623811118 /nfs/dbraw/zinc/81/11/18/623811118.db2.gz MIOTZLJYRMHYGH-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969124363 624465563 /nfs/dbraw/zinc/46/55/63/624465563.db2.gz FHPLLZYOFZKVGI-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000969981879 624568608 /nfs/dbraw/zinc/56/86/08/624568608.db2.gz QQIKMJPNPIDOHN-RYUDHWBXSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000288375012 624622772 /nfs/dbraw/zinc/62/27/72/624622772.db2.gz OLRWZNHJCLTLDS-UHFFFAOYSA-N 1 2 253.327 0.436 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701274 624812635 /nfs/dbraw/zinc/81/26/35/624812635.db2.gz WYSIDBLUCCCJIL-CHWSQXEVSA-N 1 2 287.367 0.789 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000160700260 624819373 /nfs/dbraw/zinc/81/93/73/624819373.db2.gz CORYMIMVMYHKCT-UHFFFAOYSA-N 1 2 266.341 0.636 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC2(C1)OCCO2 ZINC000160700260 624819375 /nfs/dbraw/zinc/81/93/75/624819375.db2.gz CORYMIMVMYHKCT-UHFFFAOYSA-N 1 2 266.341 0.636 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N1CCO[C@@](C)(C#N)C1 ZINC000933605690 624909381 /nfs/dbraw/zinc/90/93/81/624909381.db2.gz RCFBFSAYPMYSKA-OLZOCXBDSA-N 1 2 253.346 0.322 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@@H](NCC#N)C1)C2 ZINC001022323093 624925125 /nfs/dbraw/zinc/92/51/25/624925125.db2.gz WMFDEHJZUKYINS-UTUOFQBUSA-N 1 2 287.367 0.583 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@@H](NCC#N)C1)CC2 ZINC001022323093 624925136 /nfs/dbraw/zinc/92/51/36/624925136.db2.gz WMFDEHJZUKYINS-UTUOFQBUSA-N 1 2 287.367 0.583 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]1CO ZINC000934022406 625004518 /nfs/dbraw/zinc/00/45/18/625004518.db2.gz LZLDJWMCDPYKCW-GWCFXTLKSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]1CO ZINC000934022406 625004521 /nfs/dbraw/zinc/00/45/21/625004521.db2.gz LZLDJWMCDPYKCW-GWCFXTLKSA-N 1 2 259.309 0.952 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001008846525 625730381 /nfs/dbraw/zinc/73/03/81/625730381.db2.gz NQVVZQMBVMNCNP-DYEKYZERSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001008846525 625730388 /nfs/dbraw/zinc/73/03/88/625730388.db2.gz NQVVZQMBVMNCNP-DYEKYZERSA-N 1 2 295.383 0.034 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C2CC2)CC1 ZINC000980840324 631064740 /nfs/dbraw/zinc/06/47/40/631064740.db2.gz XTMCCDJUHRVGQP-GFCCVEGCSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C2CC2)CC1 ZINC000980840324 631064747 /nfs/dbraw/zinc/06/47/47/631064747.db2.gz XTMCCDJUHRVGQP-GFCCVEGCSA-N 1 2 292.383 0.301 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](NCC#N)C1 ZINC000981488201 631283224 /nfs/dbraw/zinc/28/32/24/631283224.db2.gz VABNMAIJWKKGJR-NEPJUHHUSA-N 1 2 275.356 0.801 20 30 CCEDLO NC(=[NH+]OCCCN1C(=O)CNC1=O)c1ccccc1 ZINC000178917659 631783495 /nfs/dbraw/zinc/78/34/95/631783495.db2.gz SKORLLJZMIYCMJ-UHFFFAOYSA-N 1 2 276.296 0.265 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cn3cccc(F)c3n2)CCCN1O ZINC000895163056 631997071 /nfs/dbraw/zinc/99/70/71/631997071.db2.gz QGFSCAJDXVVYMR-NSHDSACASA-N 1 2 278.287 0.943 20 30 CCEDLO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895165759 632000445 /nfs/dbraw/zinc/00/04/45/632000445.db2.gz MODPSRBDQQEHKN-VIFPVBQESA-N 1 2 272.736 0.852 20 30 CCEDLO N#Cc1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)ncn1 ZINC000895959671 632182544 /nfs/dbraw/zinc/18/25/44/632182544.db2.gz BIFBJFCBJXDZPF-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC000986421270 632753989 /nfs/dbraw/zinc/75/39/89/632753989.db2.gz YNOJTIQWMKMCRL-AAEUAGOBSA-N 1 2 288.351 0.735 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NCC#N)C[C@@H]1C ZINC000989726875 633350048 /nfs/dbraw/zinc/35/00/48/633350048.db2.gz QALBPLNCEJNGJB-GXSJLCMTSA-N 1 2 261.329 0.363 20 30 CCEDLO N#C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000900671609 634067547 /nfs/dbraw/zinc/06/75/47/634067547.db2.gz JLXCBUOLWKJGMF-LBPRGKRZSA-N 1 2 259.313 0.151 20 30 CCEDLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc(C)c1C#N ZINC000907088447 635074113 /nfs/dbraw/zinc/07/41/13/635074113.db2.gz QATXNCAJFBNNML-OAHLLOKOSA-N 1 2 298.390 0.905 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911607395 636302836 /nfs/dbraw/zinc/30/28/36/636302836.db2.gz UOGIKZMKWWWPQW-JWAFFJSPSA-N 1 2 280.368 0.155 20 30 CCEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000911709883 636345998 /nfs/dbraw/zinc/34/59/98/636345998.db2.gz XQSYQYUINHQFFH-RYUDHWBXSA-N 1 2 261.329 0.328 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456098 636812799 /nfs/dbraw/zinc/81/27/99/636812799.db2.gz GQCPORRIIZYZMP-ZYHUDNBSSA-N 1 2 261.329 0.443 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001015001361 637290062 /nfs/dbraw/zinc/29/00/62/637290062.db2.gz WDNPFPYBAHRJQJ-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000225311531 637671883 /nfs/dbraw/zinc/67/18/83/637671883.db2.gz DGSVLLRQKVDNAG-STQMWFEESA-N 1 2 285.413 0.894 20 30 CCEDLO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000225311531 637671888 /nfs/dbraw/zinc/67/18/88/637671888.db2.gz DGSVLLRQKVDNAG-STQMWFEESA-N 1 2 285.413 0.894 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC000993370712 637795923 /nfs/dbraw/zinc/79/59/23/637795923.db2.gz WOFBHTKJNZXJNR-ZYHUDNBSSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC000993370712 637795928 /nfs/dbraw/zinc/79/59/28/637795928.db2.gz WOFBHTKJNZXJNR-ZYHUDNBSSA-N 1 2 286.397 0.186 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(CC#N)[C@@H]1C ZINC000994295551 637917826 /nfs/dbraw/zinc/91/78/26/637917826.db2.gz BTJAAWFIERMJDP-VXGBXAGGSA-N 1 2 275.356 0.753 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)NCC#CCO ZINC000923759823 638055551 /nfs/dbraw/zinc/05/55/51/638055551.db2.gz XZOKWMURZUVUQN-GFCCVEGCSA-N 1 2 276.340 0.652 20 30 CCEDLO N#Cc1c(F)cccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000070398025 638483853 /nfs/dbraw/zinc/48/38/53/638483853.db2.gz CFGVRVLVKSHBIW-UHFFFAOYSA-N 1 2 294.311 0.872 20 30 CCEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NCC#N ZINC000996460532 638819174 /nfs/dbraw/zinc/81/91/74/638819174.db2.gz JODOQUOXDBZIOS-SNVBAGLBSA-N 1 2 261.329 0.302 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999037030 638954939 /nfs/dbraw/zinc/95/49/39/638954939.db2.gz YJOYPVRCBYYAIW-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999037031 638955168 /nfs/dbraw/zinc/95/51/68/638955168.db2.gz YJOYPVRCBYYAIW-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537365 638984828 /nfs/dbraw/zinc/98/48/28/638984828.db2.gz RQMXBQBRLZVLIC-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(NCC#N)C1 ZINC000999745887 638996018 /nfs/dbraw/zinc/99/60/18/638996018.db2.gz FJPALVJPEJECBQ-UHFFFAOYSA-N 1 2 261.329 0.363 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001000520567 639109150 /nfs/dbraw/zinc/10/91/50/639109150.db2.gz GTJYQYGNZQHAEW-GFCCVEGCSA-N 1 2 297.786 0.766 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001000520567 639109156 /nfs/dbraw/zinc/10/91/56/639109156.db2.gz GTJYQYGNZQHAEW-GFCCVEGCSA-N 1 2 297.786 0.766 20 30 CCEDLO N#CCc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)n1 ZINC000922152630 639503145 /nfs/dbraw/zinc/50/31/45/639503145.db2.gz HGMSKKWJQSCZEV-DJWKRKHSSA-N 1 2 286.335 0.975 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(-c2ccoc2)no1 ZINC000121328537 640237028 /nfs/dbraw/zinc/23/70/28/640237028.db2.gz VCVUJEMQNHLYBV-UHFFFAOYSA-N 1 2 252.230 0.501 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)N(C)CCC#N)c(N(C)C)[nH+]1 ZINC000802563900 640699003 /nfs/dbraw/zinc/69/90/03/640699003.db2.gz MFGYBJMJGKYVHE-UHFFFAOYSA-N 1 2 289.339 0.767 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804334207 640764471 /nfs/dbraw/zinc/76/44/71/640764471.db2.gz ZHHAKDULFLYSHG-ZFWWWQNUSA-N 1 2 296.330 0.919 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC1(C#N)CC1 ZINC000815414524 641110225 /nfs/dbraw/zinc/11/02/25/641110225.db2.gz HXYOZBIXROTWNT-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902714 650653334 /nfs/dbraw/zinc/65/33/34/650653334.db2.gz NYMLGPNUPKBDDD-JTQLQIEISA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902714 650653335 /nfs/dbraw/zinc/65/33/35/650653335.db2.gz NYMLGPNUPKBDDD-JTQLQIEISA-N 1 2 268.748 0.895 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1=O ZINC000819897384 641438862 /nfs/dbraw/zinc/43/88/62/641438862.db2.gz QEALDOYBINWYLJ-CYBMUJFWSA-N 1 2 284.323 0.606 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1=O ZINC000819897384 641438866 /nfs/dbraw/zinc/43/88/66/641438866.db2.gz QEALDOYBINWYLJ-CYBMUJFWSA-N 1 2 284.323 0.606 20 30 CCEDLO O=C(N[C@@H]1CCN(O)C1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820120918 641460539 /nfs/dbraw/zinc/46/05/39/641460539.db2.gz UNDDCDUCYVLSGD-SECBINFHSA-N 1 2 260.253 0.283 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015999572 650671786 /nfs/dbraw/zinc/67/17/86/650671786.db2.gz VTNGCNRLTVLCNL-NSHDSACASA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015999572 650671789 /nfs/dbraw/zinc/67/17/89/650671789.db2.gz VTNGCNRLTVLCNL-NSHDSACASA-N 1 2 282.775 0.906 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCSCC1 ZINC000821385970 641592987 /nfs/dbraw/zinc/59/29/87/641592987.db2.gz QLBLREGXBKMOIE-SNVBAGLBSA-N 1 2 276.365 0.961 20 30 CCEDLO NC(CCO)=[NH+]OCc1cccc2c1OCCO2 ZINC000121426581 642670464 /nfs/dbraw/zinc/67/04/64/642670464.db2.gz FDQAQRVRCFARFN-UHFFFAOYSA-N 1 2 252.270 0.629 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]nc2c1 ZINC001017621315 650814328 /nfs/dbraw/zinc/81/43/28/650814328.db2.gz LNYJPKYZEVSQNT-TXEJJXNPSA-N 1 2 296.334 0.275 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]nc2c1 ZINC001017621315 650814330 /nfs/dbraw/zinc/81/43/30/650814330.db2.gz LNYJPKYZEVSQNT-TXEJJXNPSA-N 1 2 296.334 0.275 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)c1 ZINC001017673015 650817275 /nfs/dbraw/zinc/81/72/75/650817275.db2.gz VHPXEOPTBQJGAI-GASCZTMLSA-N 1 2 297.358 0.708 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)c1 ZINC001017673015 650817277 /nfs/dbraw/zinc/81/72/77/650817277.db2.gz VHPXEOPTBQJGAI-GASCZTMLSA-N 1 2 297.358 0.708 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2nnnc2c1 ZINC001017788215 650822299 /nfs/dbraw/zinc/82/22/99/650822299.db2.gz PTGRFMPARAYVJK-BETUJISGSA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2nnnc2c1 ZINC001017788215 650822300 /nfs/dbraw/zinc/82/23/00/650822300.db2.gz PTGRFMPARAYVJK-BETUJISGSA-N 1 2 296.334 0.046 20 30 CCEDLO C[C@@H](CC(=O)OCCn1ncc(C#N)c1N)n1cc[nH+]c1 ZINC000845462530 643319699 /nfs/dbraw/zinc/31/96/99/643319699.db2.gz WKLWAWDLOKHSSI-JTQLQIEISA-N 1 2 288.311 0.728 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C#C)c1 ZINC001017924843 650835137 /nfs/dbraw/zinc/83/51/37/650835137.db2.gz IOZCCILQMDBNFG-IYBDPMFKSA-N 1 2 279.343 0.985 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C#C)c1 ZINC001017924843 650835138 /nfs/dbraw/zinc/83/51/38/650835138.db2.gz IOZCCILQMDBNFG-IYBDPMFKSA-N 1 2 279.343 0.985 20 30 CCEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2(CO)COC2)C1 ZINC000852329589 643954966 /nfs/dbraw/zinc/95/49/66/643954966.db2.gz DYHDJMRWZMIZNR-INIZCTEOSA-N 1 2 287.363 0.948 20 30 CCEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC2(CO)COC2)C1 ZINC000852329589 643954971 /nfs/dbraw/zinc/95/49/71/643954971.db2.gz DYHDJMRWZMIZNR-INIZCTEOSA-N 1 2 287.363 0.948 20 30 CCEDLO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000852840020 644018091 /nfs/dbraw/zinc/01/80/91/644018091.db2.gz IBPBYBSROZEDSG-CYBMUJFWSA-N 1 2 272.352 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001018631944 650887021 /nfs/dbraw/zinc/88/70/21/650887021.db2.gz KHQAUMBHZHAQDC-KOLCDFICSA-N 1 2 289.339 0.797 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CCC3=O)C2)nc1 ZINC000857236487 644487496 /nfs/dbraw/zinc/48/74/96/644487496.db2.gz FKTGLUGLIJRAQO-GFCCVEGCSA-N 1 2 272.308 0.596 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CCC3=O)C2)nc1 ZINC000857236487 644487504 /nfs/dbraw/zinc/48/75/04/644487504.db2.gz FKTGLUGLIJRAQO-GFCCVEGCSA-N 1 2 272.308 0.596 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857886685 644572210 /nfs/dbraw/zinc/57/22/10/644572210.db2.gz HUTPMYPDNLFCPU-TZMCWYRMSA-N 1 2 282.303 0.529 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016663 644755377 /nfs/dbraw/zinc/75/53/77/644755377.db2.gz MWRADHPKEKNJQF-AWEZNQCLSA-N 1 2 289.335 0.665 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016663 644755387 /nfs/dbraw/zinc/75/53/87/644755387.db2.gz MWRADHPKEKNJQF-AWEZNQCLSA-N 1 2 289.335 0.665 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001019447617 650973916 /nfs/dbraw/zinc/97/39/16/650973916.db2.gz PAPAPFWJFXYSTD-NEPJUHHUSA-N 1 2 261.329 0.548 20 30 CCEDLO Cc1[nH+]cc(C=NN[C@@H]2CCCS(=O)(=O)C2)n1C ZINC000863134945 645063456 /nfs/dbraw/zinc/06/34/56/645063456.db2.gz VLHAGNKNMFELNQ-SNVBAGLBSA-N 1 2 270.358 0.229 20 30 CCEDLO O=C1CN=C(N[NH+]=C2CC[C@H]3CNc4cccc2c43)N1 ZINC000863176876 645066691 /nfs/dbraw/zinc/06/66/91/645066691.db2.gz FOKUWZJWYUARLZ-QMMMGPOBSA-N 1 2 269.308 0.769 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000279230890 650977371 /nfs/dbraw/zinc/97/73/71/650977371.db2.gz OZBBPSSQIMRGAA-CYBMUJFWSA-N 1 2 297.362 0.213 20 30 CCEDLO N#CCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865167139 645333753 /nfs/dbraw/zinc/33/37/53/645333753.db2.gz KOTLCOMMVYYSSS-PLNGDYQASA-N 1 2 251.330 0.685 20 30 CCEDLO N#CC1(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000870059941 645955329 /nfs/dbraw/zinc/95/53/29/645955329.db2.gz PCQROXVIVTWOGR-ZDUSSCGKSA-N 1 2 293.367 0.240 20 30 CCEDLO C[C@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000872371210 646251903 /nfs/dbraw/zinc/25/19/03/646251903.db2.gz JJDXLRSPCYKFCZ-LBPRGKRZSA-N 1 2 254.378 0.378 20 30 CCEDLO C[C@H]1C(=NNCCC[NH+]2CCOCC2)CCN1C ZINC000872371210 646251918 /nfs/dbraw/zinc/25/19/18/646251918.db2.gz JJDXLRSPCYKFCZ-LBPRGKRZSA-N 1 2 254.378 0.378 20 30 CCEDLO O=c1ccn(N=C2CCC[N@@H+]3CCSC[C@@H]23)c(=O)[nH]1 ZINC000872393619 646254908 /nfs/dbraw/zinc/25/49/08/646254908.db2.gz CMSVMCCJKWQLDZ-JTQLQIEISA-N 1 2 280.353 0.364 20 30 CCEDLO O=c1ccn(N=C2CCC[N@H+]3CCSC[C@@H]23)c(=O)[nH]1 ZINC000872393619 646254918 /nfs/dbraw/zinc/25/49/18/646254918.db2.gz CMSVMCCJKWQLDZ-JTQLQIEISA-N 1 2 280.353 0.364 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000878831933 646988326 /nfs/dbraw/zinc/98/83/26/646988326.db2.gz NBCJQTCLDFVYKR-LLVKDONJSA-N 1 2 277.315 0.160 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)cc1 ZINC000879585790 647078383 /nfs/dbraw/zinc/07/83/83/647078383.db2.gz OPTZERVUYNRTTE-CQSZACIVSA-N 1 2 270.336 0.569 20 30 CCEDLO N#CC1(Cn2cc(C[NH+]3CCC(O)CC3)nn2)CCC1 ZINC000883991330 647603700 /nfs/dbraw/zinc/60/37/00/647603700.db2.gz ZTFBPKUCFSMGSR-UHFFFAOYSA-N 1 2 275.356 0.929 20 30 CCEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)CCO ZINC000136066923 647867369 /nfs/dbraw/zinc/86/73/69/647867369.db2.gz IFBVHEMZPBOVCW-NXEZZACHSA-N 1 2 257.334 0.353 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@H]2CO)CCC1 ZINC000886173605 647913095 /nfs/dbraw/zinc/91/30/95/647913095.db2.gz UXYXZMZAUVXKNI-VXGBXAGGSA-N 1 2 254.330 0.124 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@H]2CO)CCC1 ZINC000886173605 647913105 /nfs/dbraw/zinc/91/31/05/647913105.db2.gz UXYXZMZAUVXKNI-VXGBXAGGSA-N 1 2 254.330 0.124 20 30 CCEDLO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000930630461 648884133 /nfs/dbraw/zinc/88/41/33/648884133.db2.gz LPBUMIKONDEXLO-NWDGAFQWSA-N 1 2 279.340 0.243 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC[S@@](=O)C(F)(F)F)C1 ZINC000930818402 648909915 /nfs/dbraw/zinc/90/99/15/648909915.db2.gz HFABBRZJWNSWMF-WNWIJWBNSA-N 1 2 270.276 0.605 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC[S@@](=O)C(F)(F)F)C1 ZINC000930818402 648909919 /nfs/dbraw/zinc/90/99/19/648909919.db2.gz HFABBRZJWNSWMF-WNWIJWBNSA-N 1 2 270.276 0.605 20 30 CCEDLO C=C(Br)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931639092 649012192 /nfs/dbraw/zinc/01/21/92/649012192.db2.gz HLJZGALZQPOCMV-VIFPVBQESA-N 1 2 280.162 0.951 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931639092 649012195 /nfs/dbraw/zinc/01/21/95/649012195.db2.gz HLJZGALZQPOCMV-VIFPVBQESA-N 1 2 280.162 0.951 20 30 CCEDLO N#C[C@]12C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]1CS(=O)(=O)C2 ZINC000933119173 649111988 /nfs/dbraw/zinc/11/19/88/649111988.db2.gz HPDPTFHSGDSNMR-FDYHWXHSSA-N 1 2 284.381 0.160 20 30 CCEDLO N#C[C@]12C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]1CS(=O)(=O)C2 ZINC000933119173 649111990 /nfs/dbraw/zinc/11/19/90/649111990.db2.gz HPDPTFHSGDSNMR-FDYHWXHSSA-N 1 2 284.381 0.160 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)CO)CCO2)cc1 ZINC000933624106 649130295 /nfs/dbraw/zinc/13/02/95/649130295.db2.gz HCQNVFNYUBPOSD-UONOGXRCSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)CO)CCO2)cc1 ZINC000933624106 649130298 /nfs/dbraw/zinc/13/02/98/649130298.db2.gz HCQNVFNYUBPOSD-UONOGXRCSA-N 1 2 262.309 0.285 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949320938 649418700 /nfs/dbraw/zinc/41/87/00/649418700.db2.gz XCBQZAYZACASEE-GFCCVEGCSA-N 1 2 283.347 0.809 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949320938 649418701 /nfs/dbraw/zinc/41/87/01/649418701.db2.gz XCBQZAYZACASEE-GFCCVEGCSA-N 1 2 283.347 0.809 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)C1=O ZINC001017278977 649690124 /nfs/dbraw/zinc/69/01/24/649690124.db2.gz FWHVIDYOFMJRJZ-MJBXVCDLSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)C1=O ZINC001017278977 649690127 /nfs/dbraw/zinc/69/01/27/649690127.db2.gz FWHVIDYOFMJRJZ-MJBXVCDLSA-N 1 2 277.368 0.468 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCOCC1 ZINC001230561401 805621262 /nfs/dbraw/zinc/62/12/62/805621262.db2.gz CBCHDZPCSCAPKF-OAHLLOKOSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCOCC1 ZINC001230561401 805621263 /nfs/dbraw/zinc/62/12/63/805621263.db2.gz CBCHDZPCSCAPKF-OAHLLOKOSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230599607 805630924 /nfs/dbraw/zinc/63/09/24/805630924.db2.gz SJYVBWPTIXOULA-LBPRGKRZSA-N 1 2 270.348 0.917 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230599607 805630930 /nfs/dbraw/zinc/63/09/30/805630930.db2.gz SJYVBWPTIXOULA-LBPRGKRZSA-N 1 2 270.348 0.917 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccncc1C#N ZINC001104226621 790452284 /nfs/dbraw/zinc/45/22/84/790452284.db2.gz WYCHQASRLOSPAN-LLVKDONJSA-N 1 2 298.350 0.505 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)Cc2ccccc2C)CC1 ZINC001266297952 790452348 /nfs/dbraw/zinc/45/23/48/790452348.db2.gz ZEMKZPPHZHPSIZ-UHFFFAOYSA-N 1 2 299.418 0.905 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001266302075 790468290 /nfs/dbraw/zinc/46/82/90/790468290.db2.gz IIDBTMZLLLMYIX-NSHDSACASA-N 1 2 253.346 0.135 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001266302075 790468294 /nfs/dbraw/zinc/46/82/94/790468294.db2.gz IIDBTMZLLLMYIX-NSHDSACASA-N 1 2 253.346 0.135 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001266318056 790494803 /nfs/dbraw/zinc/49/48/03/790494803.db2.gz XYWGGTNUFOSUBW-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001266318056 790494809 /nfs/dbraw/zinc/49/48/09/790494809.db2.gz XYWGGTNUFOSUBW-ZIAGYGMSSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001266319715 790499012 /nfs/dbraw/zinc/49/90/12/790499012.db2.gz QQOIDJBQHFZHIN-SUIFULHWSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001266319715 790499018 /nfs/dbraw/zinc/49/90/18/790499018.db2.gz QQOIDJBQHFZHIN-SUIFULHWSA-N 1 2 277.368 0.283 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325532 790510714 /nfs/dbraw/zinc/51/07/14/790510714.db2.gz PDSDELFZCQAOKI-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266325532 790510725 /nfs/dbraw/zinc/51/07/25/790510725.db2.gz PDSDELFZCQAOKI-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C(=O)NC)CCC1 ZINC001266350453 790565898 /nfs/dbraw/zinc/56/58/98/790565898.db2.gz MPKIUPGJHFOFIJ-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(C(=O)NC)CCC1 ZINC001266350453 790565902 /nfs/dbraw/zinc/56/59/02/790565902.db2.gz MPKIUPGJHFOFIJ-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(C)nc3C)[C@H]2C1 ZINC001083196527 790645774 /nfs/dbraw/zinc/64/57/74/790645774.db2.gz WJGNSKGUMJBXAO-QWHCGFSZSA-N 1 2 288.351 0.185 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(C)nc3C)[C@H]2C1 ZINC001083196527 790645780 /nfs/dbraw/zinc/64/57/80/790645780.db2.gz WJGNSKGUMJBXAO-QWHCGFSZSA-N 1 2 288.351 0.185 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266450289 790734017 /nfs/dbraw/zinc/73/40/17/790734017.db2.gz LMDSWWIAQQSKRE-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266450289 790734026 /nfs/dbraw/zinc/73/40/26/790734026.db2.gz LMDSWWIAQQSKRE-GFCCVEGCSA-N 1 2 278.356 0.173 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC001038195465 790919397 /nfs/dbraw/zinc/91/93/97/790919397.db2.gz UKMSABIAQJXGHX-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC001038195465 790919403 /nfs/dbraw/zinc/91/94/03/790919403.db2.gz UKMSABIAQJXGHX-NSHDSACASA-N 1 2 259.309 0.615 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001266583006 790979844 /nfs/dbraw/zinc/97/98/44/790979844.db2.gz JOBSDFCNXYZYQD-XYPYZODXSA-N 1 2 294.355 0.571 20 30 CCEDLO Cn1cc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)cc1C#N ZINC001207110842 791038493 /nfs/dbraw/zinc/03/84/93/791038493.db2.gz VEKHCBCHQHJEJW-CQSZACIVSA-N 1 2 285.351 0.860 20 30 CCEDLO Cn1cc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)cc1C#N ZINC001207110842 791038504 /nfs/dbraw/zinc/03/85/04/791038504.db2.gz VEKHCBCHQHJEJW-CQSZACIVSA-N 1 2 285.351 0.860 20 30 CCEDLO CN(CC[NH2+]Cc1nc(C(F)F)no1)C(=O)C#CC1CC1 ZINC001266694650 791150014 /nfs/dbraw/zinc/15/00/14/791150014.db2.gz UZUBADZGQKPEJV-UHFFFAOYSA-N 1 2 298.293 0.969 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230802618 805669840 /nfs/dbraw/zinc/66/98/40/805669840.db2.gz KELGBGPCJJVOQJ-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230802618 805669842 /nfs/dbraw/zinc/66/98/42/805669842.db2.gz KELGBGPCJJVOQJ-QWHCGFSZSA-N 1 2 279.384 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001230824380 805673737 /nfs/dbraw/zinc/67/37/37/805673737.db2.gz ZDPZEOGHTUJPHR-OLZOCXBDSA-N 1 2 260.341 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001230824380 805673741 /nfs/dbraw/zinc/67/37/41/805673741.db2.gz ZDPZEOGHTUJPHR-OLZOCXBDSA-N 1 2 260.341 0.610 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cc(F)cnc2OC)CC1 ZINC001231747338 805850223 /nfs/dbraw/zinc/85/02/23/805850223.db2.gz PUBLTKRUKFOATJ-UHFFFAOYSA-N 1 2 263.316 0.980 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001277570301 805857257 /nfs/dbraw/zinc/85/72/57/805857257.db2.gz DDXDHRLDXUDMDB-NWDGAFQWSA-N 1 2 270.373 0.491 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C(=O)NC)CC2)C1 ZINC001277670535 805945588 /nfs/dbraw/zinc/94/55/88/805945588.db2.gz DRLKLDKZSBHHPQ-UHFFFAOYSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001038242103 791623347 /nfs/dbraw/zinc/62/33/47/791623347.db2.gz SSGZLNRIMMNBJR-ZDUSSCGKSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001038242103 791623353 /nfs/dbraw/zinc/62/33/53/791623353.db2.gz SSGZLNRIMMNBJR-ZDUSSCGKSA-N 1 2 290.367 0.275 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CC=CCC1)CC(=O)NCC#N ZINC001267184002 791635527 /nfs/dbraw/zinc/63/55/27/791635527.db2.gz LYVZDXWJKIWBFG-GFCCVEGCSA-N 1 2 278.356 0.030 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CC=CCC1)CC(=O)NCC#N ZINC001267184002 791635534 /nfs/dbraw/zinc/63/55/34/791635534.db2.gz LYVZDXWJKIWBFG-GFCCVEGCSA-N 1 2 278.356 0.030 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)CS(=O)(=O)CC(C)C ZINC001267202882 791667018 /nfs/dbraw/zinc/66/70/18/791667018.db2.gz KIQMNNBSLPQILX-UHFFFAOYSA-N 1 2 276.402 0.291 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)CS(=O)(=O)CC(C)C ZINC001267202882 791667023 /nfs/dbraw/zinc/66/70/23/791667023.db2.gz KIQMNNBSLPQILX-UHFFFAOYSA-N 1 2 276.402 0.291 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001267214708 791685320 /nfs/dbraw/zinc/68/53/20/791685320.db2.gz AVGRFYSNPXLGKU-CYBMUJFWSA-N 1 2 255.362 0.383 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001267214708 791685324 /nfs/dbraw/zinc/68/53/24/791685324.db2.gz AVGRFYSNPXLGKU-CYBMUJFWSA-N 1 2 255.362 0.383 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177916 806195757 /nfs/dbraw/zinc/19/57/57/806195757.db2.gz GJUNRDDELWAORA-KGLIPLIRSA-N 1 2 289.379 0.211 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177916 806195761 /nfs/dbraw/zinc/19/57/61/806195761.db2.gz GJUNRDDELWAORA-KGLIPLIRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001234266712 806213219 /nfs/dbraw/zinc/21/32/19/806213219.db2.gz SQLWYKUYZSSANN-HUUCEWRRSA-N 1 2 292.379 0.207 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001234266712 806213224 /nfs/dbraw/zinc/21/32/24/806213224.db2.gz SQLWYKUYZSSANN-HUUCEWRRSA-N 1 2 292.379 0.207 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)NCC#N ZINC001277863710 806266803 /nfs/dbraw/zinc/26/68/03/806266803.db2.gz RBKCTEKHIRNQQK-NSHDSACASA-N 1 2 276.340 0.593 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235105122 806371412 /nfs/dbraw/zinc/37/14/12/806371412.db2.gz IRQBFEIAXMNYEH-GFCCVEGCSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235105122 806371419 /nfs/dbraw/zinc/37/14/19/806371419.db2.gz IRQBFEIAXMNYEH-GFCCVEGCSA-N 1 2 268.332 0.671 20 30 CCEDLO COCCOCN1C[C@@H]2CC[N@H+](CCC#N)[C@@H]2C1 ZINC001277939010 806411576 /nfs/dbraw/zinc/41/15/76/806411576.db2.gz LFYQYLNXAGWIGW-QWHCGFSZSA-N 1 2 253.346 0.527 20 30 CCEDLO COCCOCN1C[C@@H]2CC[N@@H+](CCC#N)[C@@H]2C1 ZINC001277939010 806411579 /nfs/dbraw/zinc/41/15/79/806411579.db2.gz LFYQYLNXAGWIGW-QWHCGFSZSA-N 1 2 253.346 0.527 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277939010 806411587 /nfs/dbraw/zinc/41/15/87/806411587.db2.gz LFYQYLNXAGWIGW-QWHCGFSZSA-N 1 2 253.346 0.527 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277939010 806411594 /nfs/dbraw/zinc/41/15/94/806411594.db2.gz LFYQYLNXAGWIGW-QWHCGFSZSA-N 1 2 253.346 0.527 20 30 CCEDLO CC(C)NC(=O)N1C[C@@H]2C[N@@H+](CCCC#N)C[C@H](C1)O2 ZINC001277945086 806422744 /nfs/dbraw/zinc/42/27/44/806422744.db2.gz LPYIWWYNTCAKRK-BETUJISGSA-N 1 2 280.372 0.793 20 30 CCEDLO CC(C)NC(=O)N1C[C@@H]2C[N@H+](CCCC#N)C[C@H](C1)O2 ZINC001277945086 806422751 /nfs/dbraw/zinc/42/27/51/806422751.db2.gz LPYIWWYNTCAKRK-BETUJISGSA-N 1 2 280.372 0.793 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@@H](C#N)c2ccccc2)C[NH2+]1 ZINC001246075339 807142763 /nfs/dbraw/zinc/14/27/63/807142763.db2.gz SSRYHWNLLLHUIM-AVGNSLFASA-N 1 2 259.309 0.744 20 30 CCEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(F)c1 ZINC001235650510 806482831 /nfs/dbraw/zinc/48/28/31/806482831.db2.gz FVFDGLSMANDEMJ-TVQRCGJNSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(F)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(F)c1 ZINC001235650510 806482834 /nfs/dbraw/zinc/48/28/34/806482834.db2.gz FVFDGLSMANDEMJ-TVQRCGJNSA-N 1 2 268.263 0.621 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@H](C)c1nncn1C ZINC001235682737 806490452 /nfs/dbraw/zinc/49/04/52/806490452.db2.gz ALBFNTPEQVUJQD-GFCCVEGCSA-N 1 2 295.387 0.517 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@H](C)c1nncn1C ZINC001235682737 806490456 /nfs/dbraw/zinc/49/04/56/806490456.db2.gz ALBFNTPEQVUJQD-GFCCVEGCSA-N 1 2 295.387 0.517 20 30 CCEDLO CCCc1noc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123792232 799476127 /nfs/dbraw/zinc/47/61/27/799476127.db2.gz NUPAOPRWQZHIQK-UHFFFAOYSA-N 1 2 297.384 0.485 20 30 CCEDLO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001124988322 799649998 /nfs/dbraw/zinc/64/99/98/799649998.db2.gz IRGSLZXQBAFUQW-ZYHUDNBSSA-N 1 2 291.355 0.200 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001138458533 799728407 /nfs/dbraw/zinc/72/84/07/799728407.db2.gz XCBDSANEAMBSCK-SNVBAGLBSA-N 1 2 269.308 0.838 20 30 CCEDLO Cc1nc(C#N)c(NC(=O)CC[NH+]2CCN(C)CC2)o1 ZINC001143225245 800210409 /nfs/dbraw/zinc/21/04/09/800210409.db2.gz WIFKFZDJJPVYDE-UHFFFAOYSA-N 1 2 277.328 0.431 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001150298635 800330368 /nfs/dbraw/zinc/33/03/68/800330368.db2.gz HOBSBKNRRDNXQI-LBPRGKRZSA-N 1 2 295.383 0.035 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001150298635 800330376 /nfs/dbraw/zinc/33/03/76/800330376.db2.gz HOBSBKNRRDNXQI-LBPRGKRZSA-N 1 2 295.383 0.035 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153001512 800580564 /nfs/dbraw/zinc/58/05/64/800580564.db2.gz UEQKPCMQKKFZAJ-UONOGXRCSA-N 1 2 295.427 0.999 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153001512 800580571 /nfs/dbraw/zinc/58/05/71/800580571.db2.gz UEQKPCMQKKFZAJ-UONOGXRCSA-N 1 2 295.427 0.999 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccnn3c2)CC1 ZINC001153053010 800589546 /nfs/dbraw/zinc/58/95/46/800589546.db2.gz KBBWTSCCQNVRBB-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO COC(=O)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)cc1 ZINC001239291887 806880832 /nfs/dbraw/zinc/88/08/32/806880832.db2.gz TXTZHKFNHWSDJF-LBPRGKRZSA-N 1 2 288.307 0.537 20 30 CCEDLO COC(=O)c1cc(C)nc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156321241 801149732 /nfs/dbraw/zinc/14/97/32/801149732.db2.gz WDCFMFYRMJWBJU-NSHDSACASA-N 1 2 260.297 0.478 20 30 CCEDLO C=C(C)C(=O)OCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC001157304478 801350233 /nfs/dbraw/zinc/35/02/33/801350233.db2.gz CUEXEPXDKKSKLL-UHFFFAOYSA-N 1 2 265.317 0.777 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(C#N)c[nH]c3n2)C[NH2+]1 ZINC001158255305 801605305 /nfs/dbraw/zinc/60/53/05/801605305.db2.gz PVCPNXBAHCRNTP-SCZZXKLOSA-N 1 2 286.295 0.145 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161314683 802123988 /nfs/dbraw/zinc/12/39/88/802123988.db2.gz HEDLOGDEPNSPCJ-LLVKDONJSA-N 1 2 261.329 0.065 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCNCC#N)C2 ZINC001161323213 802125086 /nfs/dbraw/zinc/12/50/86/802125086.db2.gz FUHDVLNCQYSGDT-NSHDSACASA-N 1 2 275.356 0.443 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCNCC#N)CC2 ZINC001161323213 802125091 /nfs/dbraw/zinc/12/50/91/802125091.db2.gz FUHDVLNCQYSGDT-NSHDSACASA-N 1 2 275.356 0.443 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc2c(cc1C#N)COCC2 ZINC001161950482 802257626 /nfs/dbraw/zinc/25/76/26/802257626.db2.gz IEDBEAAKMJECOS-LLVKDONJSA-N 1 2 290.323 0.328 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2cc3nc[nH]c3c(C#N)n2)C1 ZINC001162681081 802388688 /nfs/dbraw/zinc/38/86/88/802388688.db2.gz WMUGNSIIOIUCIR-VIFPVBQESA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2cc3nc[nH]c3c(C#N)n2)C1 ZINC001162681081 802388700 /nfs/dbraw/zinc/38/87/00/802388700.db2.gz WMUGNSIIOIUCIR-VIFPVBQESA-N 1 2 272.312 0.572 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)ncc1C(N)=O ZINC001164642891 802775921 /nfs/dbraw/zinc/77/59/21/802775921.db2.gz ZXDXECSLOWUBEW-SSDOTTSWSA-N 1 2 265.704 0.136 20 30 CCEDLO C=C1CCC(C(=O)NCCC[NH2+]Cc2nnn(C)n2)CC1 ZINC001165906637 802875178 /nfs/dbraw/zinc/87/51/78/802875178.db2.gz DYXOVRUVUBFRGR-UHFFFAOYSA-N 1 2 292.387 0.552 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001268195550 812354852 /nfs/dbraw/zinc/35/48/52/812354852.db2.gz WAWVTVVOUKCWRL-ZDUSSCGKSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001268195550 812354858 /nfs/dbraw/zinc/35/48/58/812354858.db2.gz WAWVTVVOUKCWRL-ZDUSSCGKSA-N 1 2 289.383 0.699 20 30 CCEDLO N#CCNC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001268282050 812444390 /nfs/dbraw/zinc/44/43/90/812444390.db2.gz DYTDTDADFZFEMJ-CHWSQXEVSA-N 1 2 275.356 0.671 20 30 CCEDLO CC(C)CNC(=O)C[NH+]1CC(CNC(=O)C#CC2CC2)C1 ZINC001268825268 813105265 /nfs/dbraw/zinc/10/52/65/813105265.db2.gz OBAALBBXGUYCHX-UHFFFAOYSA-N 1 2 291.395 0.220 20 30 CCEDLO Cc1nn(C)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001204577907 803091429 /nfs/dbraw/zinc/09/14/29/803091429.db2.gz QYKXNXYEOHAUQG-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001268960716 813162846 /nfs/dbraw/zinc/16/28/46/813162846.db2.gz ZWUBGOLEISYODZ-RDBSUJKOSA-N 1 2 291.395 0.600 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001268960716 813162849 /nfs/dbraw/zinc/16/28/49/813162849.db2.gz ZWUBGOLEISYODZ-RDBSUJKOSA-N 1 2 291.395 0.600 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207725814 803442317 /nfs/dbraw/zinc/44/23/17/803442317.db2.gz JSCVBXYWQLYOKN-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207725814 803442319 /nfs/dbraw/zinc/44/23/19/803442319.db2.gz JSCVBXYWQLYOKN-GHMZBOCLSA-N 1 2 274.386 0.044 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001276547751 803454682 /nfs/dbraw/zinc/45/46/82/803454682.db2.gz HJMVOWOTDMNJJY-CQSZACIVSA-N 1 2 268.332 0.673 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001276547751 803454684 /nfs/dbraw/zinc/45/46/84/803454684.db2.gz HJMVOWOTDMNJJY-CQSZACIVSA-N 1 2 268.332 0.673 20 30 CCEDLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+](C)CCC#N ZINC001209323017 803594802 /nfs/dbraw/zinc/59/48/02/803594802.db2.gz LCZUOQNCSMDIIK-JTQLQIEISA-N 1 2 261.325 0.951 20 30 CCEDLO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+](C)CCC#N ZINC001209323017 803594804 /nfs/dbraw/zinc/59/48/04/803594804.db2.gz LCZUOQNCSMDIIK-JTQLQIEISA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCF)CC2)[C@H](OC)C1 ZINC001213207074 803685613 /nfs/dbraw/zinc/68/56/13/803685613.db2.gz PQHRNOLIMILZMQ-VXGBXAGGSA-N 1 2 268.332 0.575 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCF)CC2)[C@H](OC)C1 ZINC001213207074 803685619 /nfs/dbraw/zinc/68/56/19/803685619.db2.gz PQHRNOLIMILZMQ-VXGBXAGGSA-N 1 2 268.332 0.575 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213320544 803690174 /nfs/dbraw/zinc/69/01/74/803690174.db2.gz ZLIIPMSANGFKNF-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213320544 803690177 /nfs/dbraw/zinc/69/01/77/803690177.db2.gz ZLIIPMSANGFKNF-YNEHKIRRSA-N 1 2 297.399 0.150 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041726 814983955 /nfs/dbraw/zinc/98/39/55/814983955.db2.gz YZOFAZDRMNXRBN-IRUJWGPZSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041726 814983961 /nfs/dbraw/zinc/98/39/61/814983961.db2.gz YZOFAZDRMNXRBN-IRUJWGPZSA-N 1 2 292.339 0.458 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)C(C)C)[C@@H](O)C1 ZINC001219353870 804284248 /nfs/dbraw/zinc/28/42/48/804284248.db2.gz OAPFDGHMRFJUGT-KFWWJZLASA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)C(C)C)[C@@H](O)C1 ZINC001219353870 804284256 /nfs/dbraw/zinc/28/42/56/804284256.db2.gz OAPFDGHMRFJUGT-KFWWJZLASA-N 1 2 296.411 0.480 20 30 CCEDLO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219378721 804290203 /nfs/dbraw/zinc/29/02/03/804290203.db2.gz DAAWPUJHLFXFTE-YUTCNCBUSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219378721 804290213 /nfs/dbraw/zinc/29/02/13/804290213.db2.gz DAAWPUJHLFXFTE-YUTCNCBUSA-N 1 2 288.351 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@@H](O)C1 ZINC001219475050 804325624 /nfs/dbraw/zinc/32/56/24/804325624.db2.gz ZGXMFRFQCCDDHQ-WOPDTQHZSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@@H](O)C1 ZINC001219475050 804325634 /nfs/dbraw/zinc/32/56/34/804325634.db2.gz ZGXMFRFQCCDDHQ-WOPDTQHZSA-N 1 2 270.398 0.313 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 ZINC001219551236 804343881 /nfs/dbraw/zinc/34/38/81/804343881.db2.gz TVSHCEILGDRRCE-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 ZINC001219551236 804343888 /nfs/dbraw/zinc/34/38/88/804343888.db2.gz TVSHCEILGDRRCE-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001272111525 815014876 /nfs/dbraw/zinc/01/48/76/815014876.db2.gz RBVYJBLNRHCARJ-CHWSQXEVSA-N 1 2 279.384 0.172 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001272111525 815014880 /nfs/dbraw/zinc/01/48/80/815014880.db2.gz RBVYJBLNRHCARJ-CHWSQXEVSA-N 1 2 279.384 0.172 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@@H](O)C1 ZINC001220217948 804539221 /nfs/dbraw/zinc/53/92/21/804539221.db2.gz FIYISWRNLVSVNM-MNOVXSKESA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@@H](O)C1 ZINC001220217948 804539224 /nfs/dbraw/zinc/53/92/24/804539224.db2.gz FIYISWRNLVSVNM-MNOVXSKESA-N 1 2 286.322 0.606 20 30 CCEDLO COc1ccc(C(=NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)NO)nc1 ZINC001220377169 804587318 /nfs/dbraw/zinc/58/73/18/804587318.db2.gz MECRRFFZNFXXQP-KWQFWETISA-N 1 2 296.302 0.432 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448759 804607307 /nfs/dbraw/zinc/60/73/07/804607307.db2.gz VPRGCNNNQBRBEZ-BNOWGMLFSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448759 804607313 /nfs/dbraw/zinc/60/73/13/804607313.db2.gz VPRGCNNNQBRBEZ-BNOWGMLFSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC#C)CCCCC2)[C@@H](O)C1 ZINC001221131511 804733359 /nfs/dbraw/zinc/73/33/59/804733359.db2.gz DKTQPEIQMCMEOU-CABCVRRESA-N 1 2 288.391 0.755 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC#C)CCCCC2)[C@@H](O)C1 ZINC001221131511 804733363 /nfs/dbraw/zinc/73/33/63/804733363.db2.gz DKTQPEIQMCMEOU-CABCVRRESA-N 1 2 288.391 0.755 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001221276600 804763120 /nfs/dbraw/zinc/76/31/20/804763120.db2.gz DPMXFUWLACXYNN-BFHYXJOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001221276600 804763126 /nfs/dbraw/zinc/76/31/26/804763126.db2.gz DPMXFUWLACXYNN-BFHYXJOUSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001221276601 804763525 /nfs/dbraw/zinc/76/35/25/804763525.db2.gz DPMXFUWLACXYNN-MGPQQGTHSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001221276601 804763531 /nfs/dbraw/zinc/76/35/31/804763531.db2.gz DPMXFUWLACXYNN-MGPQQGTHSA-N 1 2 293.411 0.867 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446879 804819655 /nfs/dbraw/zinc/81/96/55/804819655.db2.gz XYUQNYMDYWEZEU-JHJVBQTASA-N 1 2 292.383 0.157 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446879 804819664 /nfs/dbraw/zinc/81/96/64/804819664.db2.gz XYUQNYMDYWEZEU-JHJVBQTASA-N 1 2 292.383 0.157 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001276980596 805054933 /nfs/dbraw/zinc/05/49/33/805054933.db2.gz VGSJDRWAVCOOKJ-DZGCQCFKSA-N 1 2 279.384 0.361 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001276980596 805054942 /nfs/dbraw/zinc/05/49/42/805054942.db2.gz VGSJDRWAVCOOKJ-DZGCQCFKSA-N 1 2 279.384 0.361 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001226617315 805256747 /nfs/dbraw/zinc/25/67/47/805256747.db2.gz FGYHMYVICKAOGL-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cccnn2)C1 ZINC001277205714 805345752 /nfs/dbraw/zinc/34/57/52/805345752.db2.gz OKVGFBJBZSPXBQ-XJKSGUPXSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cccnn2)C1 ZINC001277205714 805345758 /nfs/dbraw/zinc/34/57/58/805345758.db2.gz OKVGFBJBZSPXBQ-XJKSGUPXSA-N 1 2 297.362 0.813 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001277399926 805542490 /nfs/dbraw/zinc/54/24/90/805542490.db2.gz WZFTZIYXGZKMTQ-PHIMTYICSA-N 1 2 255.387 0.452 20 30 CCEDLO C=CCCNC(=S)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001277399926 805542497 /nfs/dbraw/zinc/54/24/97/805542497.db2.gz WZFTZIYXGZKMTQ-PHIMTYICSA-N 1 2 255.387 0.452 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278375623 807050484 /nfs/dbraw/zinc/05/04/84/807050484.db2.gz RXIJIEKMRXODNR-IUODEOHRSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278375623 807050492 /nfs/dbraw/zinc/05/04/92/807050492.db2.gz RXIJIEKMRXODNR-IUODEOHRSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC001088697993 815097827 /nfs/dbraw/zinc/09/78/27/815097827.db2.gz WENIAGWALOCZIU-PWSUYJOCSA-N 1 2 272.352 0.724 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC001088697993 815097831 /nfs/dbraw/zinc/09/78/31/815097831.db2.gz WENIAGWALOCZIU-PWSUYJOCSA-N 1 2 272.352 0.724 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@@](C)(C#N)CC(C)C)C[NH2+]1 ZINC001246463461 807256345 /nfs/dbraw/zinc/25/63/45/807256345.db2.gz LUPOSJPYEUTINJ-NTZNESFSSA-N 1 2 253.346 0.808 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]21 ZINC001249086312 807540984 /nfs/dbraw/zinc/54/09/84/807540984.db2.gz BSVHQMKLJZEGOC-CVEARBPZSA-N 1 2 297.362 0.721 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]21 ZINC001249086312 807540988 /nfs/dbraw/zinc/54/09/88/807540988.db2.gz BSVHQMKLJZEGOC-CVEARBPZSA-N 1 2 297.362 0.721 20 30 CCEDLO CCCCN(CCC#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251016737 807643749 /nfs/dbraw/zinc/64/37/49/807643749.db2.gz XDRFKBVMNDZSEE-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO Cc1cccc(C#N)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251025907 807644908 /nfs/dbraw/zinc/64/49/08/807644908.db2.gz IPMIDDGQZBJTIW-CQSZACIVSA-N 1 2 275.352 0.972 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251035205 807651118 /nfs/dbraw/zinc/65/11/18/807651118.db2.gz XMVRZRJPLANEFB-AWEZNQCLSA-N 1 2 286.335 0.535 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001038115843 815141874 /nfs/dbraw/zinc/14/18/74/815141874.db2.gz YOFBPYCSXJYUHE-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001038115843 815141877 /nfs/dbraw/zinc/14/18/77/815141877.db2.gz YOFBPYCSXJYUHE-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126828525 815142154 /nfs/dbraw/zinc/14/21/54/815142154.db2.gz XTLPCRIAAFEMLY-UHFFFAOYSA-N 1 2 276.340 0.812 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001251904142 807743568 /nfs/dbraw/zinc/74/35/68/807743568.db2.gz VQXNSDIIHVDFIJ-NSHDSACASA-N 1 2 257.330 0.319 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@H]1C ZINC001088765559 815146243 /nfs/dbraw/zinc/14/62/43/815146243.db2.gz IFOOYAKMXOOOKH-UHIISALHSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@H]1C ZINC001088765559 815146247 /nfs/dbraw/zinc/14/62/47/815146247.db2.gz IFOOYAKMXOOOKH-UHIISALHSA-N 1 2 299.802 0.844 20 30 CCEDLO C=CCOC[C@@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252454764 807870063 /nfs/dbraw/zinc/87/00/63/807870063.db2.gz SZDYCHQQKPFPSZ-AWEZNQCLSA-N 1 2 293.367 0.894 20 30 CCEDLO C=CCOC[C@@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252453423 807870371 /nfs/dbraw/zinc/87/03/71/807870371.db2.gz FJGOTYSZMCSDKN-ZDUSSCGKSA-N 1 2 293.367 0.894 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001252465364 807877986 /nfs/dbraw/zinc/87/79/86/807877986.db2.gz FPUUUOAOUVIJKG-YIYPIFLZSA-N 1 2 299.367 0.202 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001252465364 807877993 /nfs/dbraw/zinc/87/79/93/807877993.db2.gz FPUUUOAOUVIJKG-YIYPIFLZSA-N 1 2 299.367 0.202 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](O)C1 ZINC001083489835 815158171 /nfs/dbraw/zinc/15/81/71/815158171.db2.gz ACKKOTFDLUVCCK-OCCSQVGLSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](O)C1 ZINC001083489835 815158174 /nfs/dbraw/zinc/15/81/74/815158174.db2.gz ACKKOTFDLUVCCK-OCCSQVGLSA-N 1 2 290.367 0.262 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC001252559305 807911298 /nfs/dbraw/zinc/91/12/98/807911298.db2.gz VGLRIEBPWTYLHF-ZYHUDNBSSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC001252559305 807911299 /nfs/dbraw/zinc/91/12/99/807911299.db2.gz VGLRIEBPWTYLHF-ZYHUDNBSSA-N 1 2 259.371 0.904 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001252571612 807913099 /nfs/dbraw/zinc/91/30/99/807913099.db2.gz ALGRBCXWYJRACK-WCQYABFASA-N 1 2 257.330 0.481 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001083493272 815160877 /nfs/dbraw/zinc/16/08/77/815160877.db2.gz REYGBAHMMAQRDM-NEPJUHHUSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001083493272 815160879 /nfs/dbraw/zinc/16/08/79/815160879.db2.gz REYGBAHMMAQRDM-NEPJUHHUSA-N 1 2 278.377 0.773 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC001252681988 807939574 /nfs/dbraw/zinc/93/95/74/807939574.db2.gz XWXVMZRLKJQLAY-ZDUSSCGKSA-N 1 2 286.372 0.713 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126899557 815203226 /nfs/dbraw/zinc/20/32/26/815203226.db2.gz SEYWLIPHYBNWPY-UHFFFAOYSA-N 1 2 261.325 0.856 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCCn2cccc2)C1 ZINC001278931601 808510321 /nfs/dbraw/zinc/51/03/21/808510321.db2.gz FHVITXILVKHWDM-UHFFFAOYSA-N 1 2 289.379 0.455 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)c3ccccc3C#N)C2)C1 ZINC001258266500 808668390 /nfs/dbraw/zinc/66/83/90/808668390.db2.gz LLAAIFVWHDGAKE-UHFFFAOYSA-N 1 2 277.349 0.494 20 30 CCEDLO C=C(CC)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001263732697 809560563 /nfs/dbraw/zinc/56/05/63/809560563.db2.gz NSMGJOCHJZNZIR-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)cn2)CC1 ZINC000383616467 809567619 /nfs/dbraw/zinc/56/76/19/809567619.db2.gz BIYOMGTXDQJCAI-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001263821647 809578986 /nfs/dbraw/zinc/57/89/86/809578986.db2.gz WKCTYFASKKKHOQ-GDBMZVCRSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001263821647 809578989 /nfs/dbraw/zinc/57/89/89/809578989.db2.gz WKCTYFASKKKHOQ-GDBMZVCRSA-N 1 2 293.411 0.703 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896162 809602238 /nfs/dbraw/zinc/60/22/38/809602238.db2.gz QJIZYIQIYKXESD-SMDDNHRTSA-N 1 2 278.356 0.785 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896162 809602247 /nfs/dbraw/zinc/60/22/47/809602247.db2.gz QJIZYIQIYKXESD-SMDDNHRTSA-N 1 2 278.356 0.785 20 30 CCEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)COC)C2 ZINC001264747233 809676136 /nfs/dbraw/zinc/67/61/36/809676136.db2.gz VJYSFZMDGUCDJD-UHFFFAOYSA-N 1 2 279.365 0.397 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nncn1C ZINC000389455467 809677609 /nfs/dbraw/zinc/67/76/09/809677609.db2.gz XMEMIRUHDQTLLR-UHFFFAOYSA-N 1 2 264.333 0.009 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nncn1C ZINC000389455467 809677610 /nfs/dbraw/zinc/67/76/10/809677610.db2.gz XMEMIRUHDQTLLR-UHFFFAOYSA-N 1 2 264.333 0.009 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265220773 809726802 /nfs/dbraw/zinc/72/68/02/809726802.db2.gz QLJRTMVHMIDARM-NSHDSACASA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265220773 809726805 /nfs/dbraw/zinc/72/68/05/809726805.db2.gz QLJRTMVHMIDARM-NSHDSACASA-N 1 2 267.373 0.655 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC001265366606 809766283 /nfs/dbraw/zinc/76/62/83/809766283.db2.gz QNQJQWBSTDRVLM-LLVKDONJSA-N 1 2 292.387 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001265821201 809863947 /nfs/dbraw/zinc/86/39/47/809863947.db2.gz OQCCSVNVCUIEKB-JTQLQIEISA-N 1 2 293.371 0.059 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076652325 815329175 /nfs/dbraw/zinc/32/91/75/815329175.db2.gz OSICXASJJLTZNP-HUUCEWRRSA-N 1 2 290.338 0.749 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076652325 815329179 /nfs/dbraw/zinc/32/91/79/815329179.db2.gz OSICXASJJLTZNP-HUUCEWRRSA-N 1 2 290.338 0.749 20 30 CCEDLO C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266154507 809950042 /nfs/dbraw/zinc/95/00/42/809950042.db2.gz BDGGFUUZGJQFDO-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266209219 809963533 /nfs/dbraw/zinc/96/35/33/809963533.db2.gz LEEVWJXVNATCMC-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266209219 809963540 /nfs/dbraw/zinc/96/35/40/809963540.db2.gz LEEVWJXVNATCMC-KBPBESRZSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266209222 809963558 /nfs/dbraw/zinc/96/35/58/809963558.db2.gz LEEVWJXVNATCMC-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266209222 809963560 /nfs/dbraw/zinc/96/35/60/809963560.db2.gz LEEVWJXVNATCMC-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cnoc2CC)C1 ZINC001279519453 809986276 /nfs/dbraw/zinc/98/62/76/809986276.db2.gz RPPUEJMGBHTFLD-OAHLLOKOSA-N 1 2 291.351 0.427 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cnoc2CC)C1 ZINC001279519453 809986281 /nfs/dbraw/zinc/98/62/81/809986281.db2.gz RPPUEJMGBHTFLD-OAHLLOKOSA-N 1 2 291.351 0.427 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001280413157 810016504 /nfs/dbraw/zinc/01/65/04/810016504.db2.gz XFWMTYPUAJKJFT-KBPBESRZSA-N 1 2 282.384 0.378 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001280413157 810016500 /nfs/dbraw/zinc/01/65/00/810016500.db2.gz XFWMTYPUAJKJFT-KBPBESRZSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001076843581 815394007 /nfs/dbraw/zinc/39/40/07/815394007.db2.gz LOBVZSLADYNYRT-ITGHMWBKSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001076843581 815394013 /nfs/dbraw/zinc/39/40/13/815394013.db2.gz LOBVZSLADYNYRT-ITGHMWBKSA-N 1 2 262.353 0.217 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C)C1 ZINC001076859396 815395033 /nfs/dbraw/zinc/39/50/33/815395033.db2.gz JTLPXSOQNKXBCU-CHWSQXEVSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C)C1 ZINC001076859396 815395041 /nfs/dbraw/zinc/39/50/41/815395041.db2.gz JTLPXSOQNKXBCU-CHWSQXEVSA-N 1 2 273.336 0.188 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267315725 811141845 /nfs/dbraw/zinc/14/18/45/811141845.db2.gz SPOMTOLKLQABQG-CYBMUJFWSA-N 1 2 289.383 0.797 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267315726 811141876 /nfs/dbraw/zinc/14/18/76/811141876.db2.gz SPOMTOLKLQABQG-ZDUSSCGKSA-N 1 2 289.383 0.797 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279034 811151032 /nfs/dbraw/zinc/15/10/32/811151032.db2.gz ALTNWGBRZDLFML-NSHDSACASA-N 1 2 290.371 0.256 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001038279034 811151035 /nfs/dbraw/zinc/15/10/35/811151035.db2.gz ALTNWGBRZDLFML-NSHDSACASA-N 1 2 290.371 0.256 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001076993235 815428322 /nfs/dbraw/zinc/42/83/22/815428322.db2.gz DEDXNYPATGFXCU-ZIAGYGMSSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001076993235 815428325 /nfs/dbraw/zinc/42/83/25/815428325.db2.gz DEDXNYPATGFXCU-ZIAGYGMSSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001076994678 815431233 /nfs/dbraw/zinc/43/12/33/815431233.db2.gz PJFQTYCVSYXNNS-CHWSQXEVSA-N 1 2 290.367 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001076994678 815431236 /nfs/dbraw/zinc/43/12/36/815431236.db2.gz PJFQTYCVSYXNNS-CHWSQXEVSA-N 1 2 290.367 0.016 20 30 CCEDLO CCCN(C(=O)CSCC#N)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267450249 811315999 /nfs/dbraw/zinc/31/59/99/811315999.db2.gz LGINJAQJMYJLJM-NSHDSACASA-N 1 2 298.412 0.041 20 30 CCEDLO CCCN(C(=O)CSCC#N)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267450249 811316009 /nfs/dbraw/zinc/31/60/09/811316009.db2.gz LGINJAQJMYJLJM-NSHDSACASA-N 1 2 298.412 0.041 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776473 811321682 /nfs/dbraw/zinc/32/16/82/811321682.db2.gz ORTYJGBVQDKRRD-UHFFFAOYSA-N 1 2 273.296 0.702 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001077056287 815438690 /nfs/dbraw/zinc/43/86/90/815438690.db2.gz PGFRHSKZAIOQCW-MWLCHTKSSA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001077056287 815438692 /nfs/dbraw/zinc/43/86/92/815438692.db2.gz PGFRHSKZAIOQCW-MWLCHTKSSA-N 1 2 298.293 0.076 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318801 811445261 /nfs/dbraw/zinc/44/52/61/811445261.db2.gz UERSWHVYIOCOQF-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001038318801 811445268 /nfs/dbraw/zinc/44/52/68/811445268.db2.gz UERSWHVYIOCOQF-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCF)CC1 ZINC001267574320 811465797 /nfs/dbraw/zinc/46/57/97/811465797.db2.gz CHJNCMBPSWZHJU-UHFFFAOYSA-N 1 2 269.364 0.445 20 30 CCEDLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618363 811577365 /nfs/dbraw/zinc/57/73/65/811577365.db2.gz NJAAYDJBYRAPNI-LSDHHAIUSA-N 1 2 292.427 0.878 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCn2ccccc2=O)C1 ZINC001267649280 811614590 /nfs/dbraw/zinc/61/45/90/811614590.db2.gz USONMSNMOZAMHW-UHFFFAOYSA-N 1 2 261.325 0.225 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001077227248 815465430 /nfs/dbraw/zinc/46/54/30/815465430.db2.gz DVZCKEFAOZMYBQ-REWJHTLYSA-N 1 2 290.388 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001077227248 815465431 /nfs/dbraw/zinc/46/54/31/815465431.db2.gz DVZCKEFAOZMYBQ-REWJHTLYSA-N 1 2 290.388 0.646 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001267739085 811716864 /nfs/dbraw/zinc/71/68/64/811716864.db2.gz XHKDZPGKBVDYGU-XEVNVYFWSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001267739085 811716869 /nfs/dbraw/zinc/71/68/69/811716869.db2.gz XHKDZPGKBVDYGU-XEVNVYFWSA-N 1 2 277.368 0.283 20 30 CCEDLO CN(C(=O)C1CCCC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267755578 811749794 /nfs/dbraw/zinc/74/97/94/811749794.db2.gz MDLDGELSIHPKGE-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CN(C(=O)C1CCCC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267755578 811749796 /nfs/dbraw/zinc/74/97/96/811749796.db2.gz MDLDGELSIHPKGE-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2noc3ccccc23)C1 ZINC001077335623 815483110 /nfs/dbraw/zinc/48/31/10/815483110.db2.gz ZVYCTRJKZVHSFP-ZIAGYGMSSA-N 1 2 299.330 0.165 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2noc3ccccc23)C1 ZINC001077335623 815483113 /nfs/dbraw/zinc/48/31/13/815483113.db2.gz ZVYCTRJKZVHSFP-ZIAGYGMSSA-N 1 2 299.330 0.165 20 30 CCEDLO CCc1cnc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125988132 811967919 /nfs/dbraw/zinc/96/79/19/811967919.db2.gz MQUXBEFBVHDCOR-UHFFFAOYSA-N 1 2 287.323 0.956 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001038751047 812037583 /nfs/dbraw/zinc/03/75/83/812037583.db2.gz HMWMVEBPMIAFGP-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001038751047 812037592 /nfs/dbraw/zinc/03/75/92/812037592.db2.gz HMWMVEBPMIAFGP-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)C#CC1CC1 ZINC001268063322 812174546 /nfs/dbraw/zinc/17/45/46/812174546.db2.gz MXHUTBFSMPGEKV-JTQLQIEISA-N 1 2 278.381 0.888 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001027988221 812197128 /nfs/dbraw/zinc/19/71/28/812197128.db2.gz SHHYAUIGZWFCPP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001027988221 812197131 /nfs/dbraw/zinc/19/71/31/812197131.db2.gz SHHYAUIGZWFCPP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO CC(C)C[C@@H](CNCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001268115563 812274506 /nfs/dbraw/zinc/27/45/06/812274506.db2.gz UWVZJCUJHSOSOD-ZDUSSCGKSA-N 1 2 291.399 0.997 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(N)=O)C1 ZINC001087435886 812324067 /nfs/dbraw/zinc/32/40/67/812324067.db2.gz LVHLXORHPXONDK-ZIAGYGMSSA-N 1 2 285.347 0.079 20 30 CCEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(N)=O)C1 ZINC001087435886 812324074 /nfs/dbraw/zinc/32/40/74/812324074.db2.gz LVHLXORHPXONDK-ZIAGYGMSSA-N 1 2 285.347 0.079 20 30 CCEDLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CNCC#N ZINC001268196821 812358966 /nfs/dbraw/zinc/35/89/66/812358966.db2.gz FPANQYBVQLZMAA-OLZOCXBDSA-N 1 2 275.356 0.623 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001058919387 812382310 /nfs/dbraw/zinc/38/23/10/812382310.db2.gz MFXFFUPMOXFCGT-LBPRGKRZSA-N 1 2 297.322 0.258 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](F)CC ZINC001268245385 812409712 /nfs/dbraw/zinc/40/97/12/812409712.db2.gz OHTSZWHQKMYYEV-LLVKDONJSA-N 1 2 273.352 0.427 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](F)CC ZINC001268245385 812409715 /nfs/dbraw/zinc/40/97/15/812409715.db2.gz OHTSZWHQKMYYEV-LLVKDONJSA-N 1 2 273.352 0.427 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001268283768 812446134 /nfs/dbraw/zinc/44/61/34/812446134.db2.gz YCXNVXDQGLIAIP-UHFFFAOYSA-N 1 2 274.324 0.503 20 30 CCEDLO CC(C)C#CC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001268297716 812455121 /nfs/dbraw/zinc/45/51/21/812455121.db2.gz XFYHCQLROCTSHU-UHFFFAOYSA-N 1 2 274.368 0.422 20 30 CCEDLO Cn1nccc1CC[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001268301578 812461488 /nfs/dbraw/zinc/46/14/88/812461488.db2.gz YBPFHZGGPPZZHC-UHFFFAOYSA-N 1 2 272.352 0.176 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2COC)[C@@H](O)C1 ZINC001083599887 815527786 /nfs/dbraw/zinc/52/77/86/815527786.db2.gz QOSPYMSUISQUDS-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2COC)[C@@H](O)C1 ZINC001083599887 815527789 /nfs/dbraw/zinc/52/77/89/815527789.db2.gz QOSPYMSUISQUDS-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606329 815532818 /nfs/dbraw/zinc/53/28/18/815532818.db2.gz STAZQLOIZZXWEB-NEPJUHHUSA-N 1 2 287.319 0.789 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606329 815532821 /nfs/dbraw/zinc/53/28/21/815532821.db2.gz STAZQLOIZZXWEB-NEPJUHHUSA-N 1 2 287.319 0.789 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001039003670 812590032 /nfs/dbraw/zinc/59/00/32/812590032.db2.gz PALJKGRGJHVVGX-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001039003670 812590035 /nfs/dbraw/zinc/59/00/35/812590035.db2.gz PALJKGRGJHVVGX-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H](O)C1 ZINC001083611769 815539328 /nfs/dbraw/zinc/53/93/28/815539328.db2.gz KUEPZYIAHQLONH-KGLIPLIRSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H](O)C1 ZINC001083611769 815539334 /nfs/dbraw/zinc/53/93/34/815539334.db2.gz KUEPZYIAHQLONH-KGLIPLIRSA-N 1 2 292.310 0.242 20 30 CCEDLO C=CCC(C)(C)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001268456675 812597239 /nfs/dbraw/zinc/59/72/39/812597239.db2.gz RIBCHUNITMYZCH-LBPRGKRZSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC001268467037 812614067 /nfs/dbraw/zinc/61/40/67/812614067.db2.gz QMJJHKNPLHQPBA-OAHLLOKOSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001126364686 812674873 /nfs/dbraw/zinc/67/48/73/812674873.db2.gz AROLVXULNBXDJA-CYBMUJFWSA-N 1 2 282.344 0.165 20 30 CCEDLO CC#CCCCC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001268581155 812865842 /nfs/dbraw/zinc/86/58/42/812865842.db2.gz VOIZOWGAJDVTLB-FPLPWBNLSA-N 1 2 289.383 0.771 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@H]1C ZINC001088839543 815561505 /nfs/dbraw/zinc/56/15/05/815561505.db2.gz QNOQAWCPTVZUOH-SUNKGSAMSA-N 1 2 299.802 0.987 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@H]1C ZINC001088839543 815561507 /nfs/dbraw/zinc/56/15/07/815561507.db2.gz QNOQAWCPTVZUOH-SUNKGSAMSA-N 1 2 299.802 0.987 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)CCCC3)[C@@H](O)C1 ZINC001083625406 815565584 /nfs/dbraw/zinc/56/55/84/815565584.db2.gz ADJKFMWVTLMEGF-CVEARBPZSA-N 1 2 299.374 0.369 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)CCCC3)[C@@H](O)C1 ZINC001083625406 815565587 /nfs/dbraw/zinc/56/55/87/815565587.db2.gz ADJKFMWVTLMEGF-CVEARBPZSA-N 1 2 299.374 0.369 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001269000018 813173627 /nfs/dbraw/zinc/17/36/27/813173627.db2.gz CQPIFIAIPGXTOL-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001269000018 813173632 /nfs/dbraw/zinc/17/36/32/813173632.db2.gz CQPIFIAIPGXTOL-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCOCC1 ZINC001269087942 813210357 /nfs/dbraw/zinc/21/03/57/813210357.db2.gz HREYPFWQMITVJI-LBPRGKRZSA-N 1 2 295.383 0.035 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCOCC1 ZINC001269087942 813210363 /nfs/dbraw/zinc/21/03/63/813210363.db2.gz HREYPFWQMITVJI-LBPRGKRZSA-N 1 2 295.383 0.035 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001269199444 813259992 /nfs/dbraw/zinc/25/99/92/813259992.db2.gz FASUCMXWTMGXHW-OLZOCXBDSA-N 1 2 260.341 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001269199444 813259995 /nfs/dbraw/zinc/25/99/95/813259995.db2.gz FASUCMXWTMGXHW-OLZOCXBDSA-N 1 2 260.341 0.658 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001269204709 813263356 /nfs/dbraw/zinc/26/33/56/813263356.db2.gz DYWZSYLAOBRWMA-DGCLKSJQSA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001269204709 813263361 /nfs/dbraw/zinc/26/33/61/813263361.db2.gz DYWZSYLAOBRWMA-DGCLKSJQSA-N 1 2 279.384 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001269218458 813273178 /nfs/dbraw/zinc/27/31/78/813273178.db2.gz YYXZCZQZTNKSMU-NSHDSACASA-N 1 2 292.339 0.123 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001269218458 813273184 /nfs/dbraw/zinc/27/31/84/813273184.db2.gz YYXZCZQZTNKSMU-NSHDSACASA-N 1 2 292.339 0.123 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)/C(C)=C\C)C1=O ZINC001269213551 813273279 /nfs/dbraw/zinc/27/32/79/813273279.db2.gz AZAINEIUMJJEPG-QZYAKGMDSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)/C(C)=C\C)C1=O ZINC001269213551 813273283 /nfs/dbraw/zinc/27/32/83/813273283.db2.gz AZAINEIUMJJEPG-QZYAKGMDSA-N 1 2 291.395 0.930 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269272413 813298677 /nfs/dbraw/zinc/29/86/77/813298677.db2.gz KKPDKFGYOYQZOQ-RYUDHWBXSA-N 1 2 256.321 0.575 20 30 CCEDLO CC[C@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269272413 813298685 /nfs/dbraw/zinc/29/86/85/813298685.db2.gz KKPDKFGYOYQZOQ-RYUDHWBXSA-N 1 2 256.321 0.575 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cn(C)nc1Br ZINC000712492128 813683692 /nfs/dbraw/zinc/68/36/92/813683692.db2.gz UYZDZJNNCXXISJ-UHFFFAOYSA-N 1 2 287.161 0.574 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001270507857 813790613 /nfs/dbraw/zinc/79/06/13/813790613.db2.gz OCTQFIGEUBWMLK-GFCCVEGCSA-N 1 2 273.340 0.329 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2CC(C)C2)C1 ZINC001271269311 814358690 /nfs/dbraw/zinc/35/86/90/814358690.db2.gz BYVJTFQSPCBGOA-UHFFFAOYSA-N 1 2 250.342 0.219 20 30 CCEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001271275808 814362909 /nfs/dbraw/zinc/36/29/09/814362909.db2.gz FVCGAPICQYOHMQ-KGLIPLIRSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)/C=C(/C)CC)C1 ZINC001271276714 814363246 /nfs/dbraw/zinc/36/32/46/814363246.db2.gz VIUJTHJRJPQEIT-WQLSENKSSA-N 1 2 250.342 0.529 20 30 CCEDLO C=C1CC(C(=O)N2C[C@@H](C(N)=O)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001271455604 814450569 /nfs/dbraw/zinc/45/05/69/814450569.db2.gz SWLBHFWQYJGVEW-VXGBXAGGSA-N 1 2 288.351 0.414 20 30 CCEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001271975511 814658986 /nfs/dbraw/zinc/65/89/86/814658986.db2.gz GJZOBVOHGPOZAN-MCIONIFRSA-N 1 2 285.347 0.989 20 30 CCEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001271975511 814658992 /nfs/dbraw/zinc/65/89/92/814658992.db2.gz GJZOBVOHGPOZAN-MCIONIFRSA-N 1 2 285.347 0.989 20 30 CCEDLO CS(=O)(=O)N1CC(Nc2[nH+]cccc2CC#N)C1 ZINC001168218790 814911149 /nfs/dbraw/zinc/91/11/49/814911149.db2.gz WSXWQBCJCODJSV-UHFFFAOYSA-N 1 2 266.326 0.203 20 30 CCEDLO Cn1c[nH+]cc1CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030193212 815877404 /nfs/dbraw/zinc/87/74/04/815877404.db2.gz VGPKYMRGKSZDPG-UHFFFAOYSA-N 1 2 284.323 0.234 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030225547 815910278 /nfs/dbraw/zinc/91/02/78/815910278.db2.gz FPYFVUSKAPGJKC-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001030494393 816066116 /nfs/dbraw/zinc/06/61/16/816066116.db2.gz XSMYCDKBORZLSM-UHFFFAOYSA-N 1 2 298.268 0.933 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212185606 816072394 /nfs/dbraw/zinc/07/23/94/816072394.db2.gz ZBOBQWJPXXSAEI-RRFJBIMHSA-N 1 2 296.411 0.888 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212185606 816072397 /nfs/dbraw/zinc/07/23/97/816072397.db2.gz ZBOBQWJPXXSAEI-RRFJBIMHSA-N 1 2 296.411 0.888 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001030648224 816183749 /nfs/dbraw/zinc/18/37/49/816183749.db2.gz OJJPLCQQVIFNLZ-SNVBAGLBSA-N 1 2 251.330 0.032 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)nnc2C)C1 ZINC001030739507 816257996 /nfs/dbraw/zinc/25/79/96/816257996.db2.gz HMJDWZQBFYQKRD-UHFFFAOYSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001030919409 816437091 /nfs/dbraw/zinc/43/70/91/816437091.db2.gz TUMQHSCLSUVNHG-AAEUAGOBSA-N 1 2 250.342 0.483 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001030977135 816524472 /nfs/dbraw/zinc/52/44/72/816524472.db2.gz HCPRBRSICMIDQH-CHWSQXEVSA-N 1 2 272.352 0.347 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)cc1 ZINC001046530359 816617515 /nfs/dbraw/zinc/61/75/15/816617515.db2.gz GXZBFWYCUHRDIX-MRXNPFEDSA-N 1 2 285.347 0.347 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)cc1 ZINC001046530359 816617520 /nfs/dbraw/zinc/61/75/20/816617520.db2.gz GXZBFWYCUHRDIX-MRXNPFEDSA-N 1 2 285.347 0.347 20 30 CCEDLO C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426064 816768616 /nfs/dbraw/zinc/76/86/16/816768616.db2.gz BCWMWSPTDGKQEW-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnn(CC)c2)C1 ZINC001031236718 816871324 /nfs/dbraw/zinc/87/13/24/816871324.db2.gz HWYGLOJXAGVUFY-UHFFFAOYSA-N 1 2 262.357 0.822 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001031295318 816934505 /nfs/dbraw/zinc/93/45/05/816934505.db2.gz TYJARBUYNQSXRY-UHFFFAOYSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001031393607 817028507 /nfs/dbraw/zinc/02/85/07/817028507.db2.gz UQZQAXAZEHIPGT-UHFFFAOYSA-N 1 2 285.347 0.713 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001031428683 817050307 /nfs/dbraw/zinc/05/03/07/817050307.db2.gz RDRDDAIGKIYHLG-GFCCVEGCSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001031478876 817074689 /nfs/dbraw/zinc/07/46/89/817074689.db2.gz YUSIYGGQZOWPKA-CQSZACIVSA-N 1 2 270.332 0.986 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001031485737 817077584 /nfs/dbraw/zinc/07/75/84/817077584.db2.gz MEGIZEBKYBQNEK-NSHDSACASA-N 1 2 288.395 0.964 20 30 CCEDLO Cn1nccc1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031618678 817191105 /nfs/dbraw/zinc/19/11/05/817191105.db2.gz BNRHWVWFBPMETK-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001124027588 817255411 /nfs/dbraw/zinc/25/54/11/817255411.db2.gz CYPHYEOHICTNRE-CQSZACIVSA-N 1 2 294.395 0.779 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001124027588 817255416 /nfs/dbraw/zinc/25/54/16/817255416.db2.gz CYPHYEOHICTNRE-CQSZACIVSA-N 1 2 294.395 0.779 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CN(CC#N)C1)C2 ZINC001031789845 817369069 /nfs/dbraw/zinc/36/90/69/817369069.db2.gz PNBQBZAIYWTMSC-GFCCVEGCSA-N 1 2 287.367 0.395 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CN(CC#N)C1)CC2 ZINC001031789845 817369076 /nfs/dbraw/zinc/36/90/76/817369076.db2.gz PNBQBZAIYWTMSC-GFCCVEGCSA-N 1 2 287.367 0.395 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212344953 817408553 /nfs/dbraw/zinc/40/85/53/817408553.db2.gz UDOIMAHSPDPTNU-QJPTWQEYSA-N 1 2 283.372 0.032 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212344953 817408559 /nfs/dbraw/zinc/40/85/59/817408559.db2.gz UDOIMAHSPDPTNU-QJPTWQEYSA-N 1 2 283.372 0.032 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1OC ZINC001038595798 817468191 /nfs/dbraw/zinc/46/81/91/817468191.db2.gz GQGWTLRGGYOFOK-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1OC ZINC001038595798 817468193 /nfs/dbraw/zinc/46/81/93/817468193.db2.gz GQGWTLRGGYOFOK-NSHDSACASA-N 1 2 276.340 0.256 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237525615 817519586 /nfs/dbraw/zinc/51/95/86/817519586.db2.gz SUZWFLONPOVJEB-GWCFXTLKSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237525615 817519594 /nfs/dbraw/zinc/51/95/94/817519594.db2.gz SUZWFLONPOVJEB-GWCFXTLKSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237525622 817521593 /nfs/dbraw/zinc/52/15/93/817521593.db2.gz SUZWFLONPOVJEB-MFKMUULPSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237525622 817521599 /nfs/dbraw/zinc/52/15/99/817521599.db2.gz SUZWFLONPOVJEB-MFKMUULPSA-N 1 2 268.263 0.621 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001124901888 817627245 /nfs/dbraw/zinc/62/72/45/817627245.db2.gz FDBVCRBSLHPLMN-VIFPVBQESA-N 1 2 277.328 0.703 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C ZINC001032277537 817775750 /nfs/dbraw/zinc/77/57/50/817775750.db2.gz KDSFGVWPMIQZIJ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C ZINC001032277537 817775756 /nfs/dbraw/zinc/77/57/56/817775756.db2.gz KDSFGVWPMIQZIJ-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnsn1 ZINC001032297317 817803860 /nfs/dbraw/zinc/80/38/60/817803860.db2.gz VJESCXGNRFTUNA-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnsn1 ZINC001032297317 817803869 /nfs/dbraw/zinc/80/38/69/817803869.db2.gz VJESCXGNRFTUNA-UWVGGRQHSA-N 1 2 262.338 0.460 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n[nH]1 ZINC001032299290 817810759 /nfs/dbraw/zinc/81/07/59/817810759.db2.gz GPYKDLADBDHGNE-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n[nH]1 ZINC001032299290 817810770 /nfs/dbraw/zinc/81/07/70/817810770.db2.gz GPYKDLADBDHGNE-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC)C1 ZINC001107712038 817956930 /nfs/dbraw/zinc/95/69/30/817956930.db2.gz QUEGPKZTBLFTTN-ZDUSSCGKSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC)C1 ZINC001107712038 817956933 /nfs/dbraw/zinc/95/69/33/817956933.db2.gz QUEGPKZTBLFTTN-ZDUSSCGKSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)cn2)C1 ZINC001107711812 817956979 /nfs/dbraw/zinc/95/69/79/817956979.db2.gz LTHLUGRHEZDXRP-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)cn2)C1 ZINC001107711812 817956981 /nfs/dbraw/zinc/95/69/81/817956981.db2.gz LTHLUGRHEZDXRP-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001107799495 818018897 /nfs/dbraw/zinc/01/88/97/818018897.db2.gz GDIKLPNGNUITDG-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001107799495 818018904 /nfs/dbraw/zinc/01/89/04/818018904.db2.gz GDIKLPNGNUITDG-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973384 818087495 /nfs/dbraw/zinc/08/74/95/818087495.db2.gz MYZDVWMQSIRDGC-STQMWFEESA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973384 818087506 /nfs/dbraw/zinc/08/75/06/818087506.db2.gz MYZDVWMQSIRDGC-STQMWFEESA-N 1 2 295.770 0.999 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128264709 818138920 /nfs/dbraw/zinc/13/89/20/818138920.db2.gz PPZKBKXKMRLVAW-JTQLQIEISA-N 1 2 261.329 0.494 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128264709 818138925 /nfs/dbraw/zinc/13/89/25/818138925.db2.gz PPZKBKXKMRLVAW-JTQLQIEISA-N 1 2 261.329 0.494 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001038091272 818270894 /nfs/dbraw/zinc/27/08/94/818270894.db2.gz IMTYJIXPHDJXKO-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001038091272 818270900 /nfs/dbraw/zinc/27/09/00/818270900.db2.gz IMTYJIXPHDJXKO-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032893882 818343632 /nfs/dbraw/zinc/34/36/32/818343632.db2.gz RHAJQWZFDNXZIC-LBPRGKRZSA-N 1 2 299.802 0.894 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032893882 818343638 /nfs/dbraw/zinc/34/36/38/818343638.db2.gz RHAJQWZFDNXZIC-LBPRGKRZSA-N 1 2 299.802 0.894 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062704 818480395 /nfs/dbraw/zinc/48/03/95/818480395.db2.gz KUPRLRSBPGXVLT-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062704 818480403 /nfs/dbraw/zinc/48/04/03/818480403.db2.gz KUPRLRSBPGXVLT-JTQLQIEISA-N 1 2 283.763 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090097716 818509651 /nfs/dbraw/zinc/50/96/51/818509651.db2.gz ZOGIYCRHUNBNQT-GXSJLCMTSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090097716 818509656 /nfs/dbraw/zinc/50/96/56/818509656.db2.gz ZOGIYCRHUNBNQT-GXSJLCMTSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001033123451 818550134 /nfs/dbraw/zinc/55/01/34/818550134.db2.gz JRRNLTDKGPWBFL-RYUDHWBXSA-N 1 2 299.802 0.750 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001033123451 818550142 /nfs/dbraw/zinc/55/01/42/818550142.db2.gz JRRNLTDKGPWBFL-RYUDHWBXSA-N 1 2 299.802 0.750 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033379764 818741484 /nfs/dbraw/zinc/74/14/84/818741484.db2.gz ZDHPFZZTYQEUHW-CQSZACIVSA-N 1 2 285.347 0.056 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033379764 818741491 /nfs/dbraw/zinc/74/14/91/818741491.db2.gz ZDHPFZZTYQEUHW-CQSZACIVSA-N 1 2 285.347 0.056 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128671622 818790448 /nfs/dbraw/zinc/79/04/48/818790448.db2.gz FNRIKRZXGXNWOY-OLZOCXBDSA-N 1 2 273.340 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128671622 818790452 /nfs/dbraw/zinc/79/04/52/818790452.db2.gz FNRIKRZXGXNWOY-OLZOCXBDSA-N 1 2 273.340 0.219 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090250641 819311752 /nfs/dbraw/zinc/31/17/52/819311752.db2.gz DBNSLBUVQYFGRG-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090250641 819311756 /nfs/dbraw/zinc/31/17/56/819311756.db2.gz DBNSLBUVQYFGRG-MNOVXSKESA-N 1 2 298.774 0.636 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108158824 819331010 /nfs/dbraw/zinc/33/10/10/819331010.db2.gz LXXSLAQZOOVAOA-KBPBESRZSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001108158824 819331014 /nfs/dbraw/zinc/33/10/14/819331014.db2.gz LXXSLAQZOOVAOA-KBPBESRZSA-N 1 2 286.347 0.508 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@@H](CO)C1 ZINC000703850622 819333358 /nfs/dbraw/zinc/33/33/58/819333358.db2.gz WTSRDWCHWBCWPK-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@@H](CO)C1 ZINC000703850622 819333365 /nfs/dbraw/zinc/33/33/65/819333365.db2.gz WTSRDWCHWBCWPK-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001034884897 819353858 /nfs/dbraw/zinc/35/38/58/819353858.db2.gz NBGASUQUUYLNEN-MWLCHTKSSA-N 1 2 277.328 0.618 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cnn(C)c2)CC1 ZINC000704297292 819372718 /nfs/dbraw/zinc/37/27/18/819372718.db2.gz OPGWTMUDYOBMNE-PLNGDYQASA-N 1 2 258.325 0.211 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnccn2)C1 ZINC001035272066 819435434 /nfs/dbraw/zinc/43/54/34/819435434.db2.gz INTYSEDXOXYXPG-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnccn2)C1 ZINC001035272066 819435438 /nfs/dbraw/zinc/43/54/38/819435438.db2.gz INTYSEDXOXYXPG-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001035301045 819453500 /nfs/dbraw/zinc/45/35/00/819453500.db2.gz ANDGRLNDKGTSOS-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001035301045 819453505 /nfs/dbraw/zinc/45/35/05/819453505.db2.gz ANDGRLNDKGTSOS-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035306033 819457101 /nfs/dbraw/zinc/45/71/01/819457101.db2.gz OJOYKNAZXPZSQM-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035306033 819457103 /nfs/dbraw/zinc/45/71/03/819457103.db2.gz OJOYKNAZXPZSQM-OLZOCXBDSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349034 819488107 /nfs/dbraw/zinc/48/81/07/819488107.db2.gz CKAFYWLQKXSMLP-RUXDESIVSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349034 819488112 /nfs/dbraw/zinc/48/81/12/819488112.db2.gz CKAFYWLQKXSMLP-RUXDESIVSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001035422688 819511366 /nfs/dbraw/zinc/51/13/66/819511366.db2.gz DYTTVCWTFSRZGV-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001035422688 819511371 /nfs/dbraw/zinc/51/13/71/819511371.db2.gz DYTTVCWTFSRZGV-GFCCVEGCSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035411078 819517074 /nfs/dbraw/zinc/51/70/74/819517074.db2.gz ZTZYSCVWRKWRRB-BPCQOVAHSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001035411078 819517080 /nfs/dbraw/zinc/51/70/80/819517080.db2.gz ZTZYSCVWRKWRRB-BPCQOVAHSA-N 1 2 268.357 0.414 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001035464358 819536870 /nfs/dbraw/zinc/53/68/70/819536870.db2.gz VOPDDMRJMCWFBD-NSHDSACASA-N 1 2 279.344 0.120 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001035464358 819536874 /nfs/dbraw/zinc/53/68/74/819536874.db2.gz VOPDDMRJMCWFBD-NSHDSACASA-N 1 2 279.344 0.120 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(=C)C)CCO1 ZINC001035511626 819544088 /nfs/dbraw/zinc/54/40/88/819544088.db2.gz XDDKCGTUKGGERE-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001035511626 819544095 /nfs/dbraw/zinc/54/40/95/819544095.db2.gz XDDKCGTUKGGERE-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035580048 819575849 /nfs/dbraw/zinc/57/58/49/819575849.db2.gz IOCLXQCBPQAGHW-CYBMUJFWSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035580048 819575854 /nfs/dbraw/zinc/57/58/54/819575854.db2.gz IOCLXQCBPQAGHW-CYBMUJFWSA-N 1 2 291.351 0.691 20 30 CCEDLO CCOC(=O)c1cc(-n2[nH]c(=O)nc2C[NH3+])ccc1C#N ZINC001168760850 819761931 /nfs/dbraw/zinc/76/19/31/819761931.db2.gz HGZHBYRFSNQCTE-UHFFFAOYSA-N 1 2 287.279 0.480 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000711145261 819972934 /nfs/dbraw/zinc/97/29/34/819972934.db2.gz NWWWTMXTRSWABV-UHFFFAOYSA-N 1 2 288.413 0.118 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](O)C1 ZINC001083888381 820093018 /nfs/dbraw/zinc/09/30/18/820093018.db2.gz ATKATHSZPSVYCC-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](O)C1 ZINC001083888381 820093029 /nfs/dbraw/zinc/09/30/29/820093029.db2.gz ATKATHSZPSVYCC-KGLIPLIRSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129293851 820130395 /nfs/dbraw/zinc/13/03/95/820130395.db2.gz LDGOTGBKZCLTIA-MCIONIFRSA-N 1 2 289.383 0.545 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129293851 820130402 /nfs/dbraw/zinc/13/04/02/820130402.db2.gz LDGOTGBKZCLTIA-MCIONIFRSA-N 1 2 289.383 0.545 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001079989236 820495293 /nfs/dbraw/zinc/49/52/93/820495293.db2.gz NQQAKVOPZAVUHM-ZYHUDNBSSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001079989236 820495295 /nfs/dbraw/zinc/49/52/95/820495295.db2.gz NQQAKVOPZAVUHM-ZYHUDNBSSA-N 1 2 286.397 0.044 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001081481527 820773543 /nfs/dbraw/zinc/77/35/43/820773543.db2.gz LRIOJXBSTMUIGT-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001081481527 820773550 /nfs/dbraw/zinc/77/35/50/820773550.db2.gz LRIOJXBSTMUIGT-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@H](OC)C1 ZINC001081878414 820853608 /nfs/dbraw/zinc/85/36/08/820853608.db2.gz LRXVVAREUYRFDC-ZIAGYGMSSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@H](OC)C1 ZINC001081878414 820853617 /nfs/dbraw/zinc/85/36/17/820853617.db2.gz LRXVVAREUYRFDC-ZIAGYGMSSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)[C@H](OC)C1 ZINC001082012782 820880780 /nfs/dbraw/zinc/88/07/80/820880780.db2.gz IYHDIHGXQOLARE-HZPDHXFCSA-N 1 2 282.343 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)[C@H](OC)C1 ZINC001082012782 820880793 /nfs/dbraw/zinc/88/07/93/820880793.db2.gz IYHDIHGXQOLARE-HZPDHXFCSA-N 1 2 282.343 0.730 20 30 CCEDLO COc1ccc2ncnc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164641489 821002207 /nfs/dbraw/zinc/00/22/07/821002207.db2.gz MAGMZONCBLNABM-SNVBAGLBSA-N 1 2 269.308 0.940 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnsn3)[C@H]2C1 ZINC001083013904 821106770 /nfs/dbraw/zinc/10/67/70/821106770.db2.gz IFBJGDFYFZCVEU-NWDGAFQWSA-N 1 2 292.364 0.087 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnsn3)[C@H]2C1 ZINC001083013904 821106776 /nfs/dbraw/zinc/10/67/76/821106776.db2.gz IFBJGDFYFZCVEU-NWDGAFQWSA-N 1 2 292.364 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)nc3)[C@H]2C1 ZINC001083027116 821115752 /nfs/dbraw/zinc/11/57/52/821115752.db2.gz ZIZRMXQNHWTESH-QWHCGFSZSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)nc3)[C@H]2C1 ZINC001083027116 821115755 /nfs/dbraw/zinc/11/57/55/821115755.db2.gz ZIZRMXQNHWTESH-QWHCGFSZSA-N 1 2 289.310 0.379 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C(C)C)[C@H]2C1 ZINC001083169167 821154537 /nfs/dbraw/zinc/15/45/37/821154537.db2.gz GRVSUHYYUPXLOE-BFHYXJOUSA-N 1 2 282.359 0.915 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C(C)C)[C@H]2C1 ZINC001083169167 821154547 /nfs/dbraw/zinc/15/45/47/821154547.db2.gz GRVSUHYYUPXLOE-BFHYXJOUSA-N 1 2 282.359 0.915 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001083947350 821163273 /nfs/dbraw/zinc/16/32/73/821163273.db2.gz PMECRHKKQJYORN-ZBFHGGJFSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001083947350 821163277 /nfs/dbraw/zinc/16/32/77/821163277.db2.gz PMECRHKKQJYORN-ZBFHGGJFSA-N 1 2 297.358 0.656 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001084031083 821180646 /nfs/dbraw/zinc/18/06/46/821180646.db2.gz REDQQCKYIXUFJK-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001084031083 821180652 /nfs/dbraw/zinc/18/06/52/821180652.db2.gz REDQQCKYIXUFJK-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(COC)s2)[C@@H](O)C1 ZINC001084121702 821194501 /nfs/dbraw/zinc/19/45/01/821194501.db2.gz QQAQWFPDHGQXDX-ZJUUUORDSA-N 1 2 297.380 0.250 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(COC)s2)[C@@H](O)C1 ZINC001084121702 821194507 /nfs/dbraw/zinc/19/45/07/821194507.db2.gz QQAQWFPDHGQXDX-ZJUUUORDSA-N 1 2 297.380 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001084102424 821201920 /nfs/dbraw/zinc/20/19/20/821201920.db2.gz ZFTQCYJUVKJTJF-MCIONIFRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001084102424 821201928 /nfs/dbraw/zinc/20/19/28/821201928.db2.gz ZFTQCYJUVKJTJF-MCIONIFRSA-N 1 2 278.396 0.997 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653660 821339785 /nfs/dbraw/zinc/33/97/85/821339785.db2.gz QFWILKQQFQGVJD-MBNYWOFBSA-N 1 2 299.378 0.886 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809315 821329208 /nfs/dbraw/zinc/32/92/08/821329208.db2.gz GGEZLHGOTKSKHQ-MNOVXSKESA-N 1 2 290.791 0.451 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809315 821329217 /nfs/dbraw/zinc/32/92/17/821329217.db2.gz GGEZLHGOTKSKHQ-MNOVXSKESA-N 1 2 290.791 0.451 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001085470151 821721842 /nfs/dbraw/zinc/72/18/42/821721842.db2.gz IHBVGCQPNSJIGU-CYBMUJFWSA-N 1 2 259.309 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001085470151 821721844 /nfs/dbraw/zinc/72/18/44/821721844.db2.gz IHBVGCQPNSJIGU-CYBMUJFWSA-N 1 2 259.309 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085596252 821836790 /nfs/dbraw/zinc/83/67/90/821836790.db2.gz YDWCWTOLKKQHEA-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085596252 821836796 /nfs/dbraw/zinc/83/67/96/821836796.db2.gz YDWCWTOLKKQHEA-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085598928 821842468 /nfs/dbraw/zinc/84/24/68/821842468.db2.gz DGEWCYIWDMMIDR-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085598928 821842475 /nfs/dbraw/zinc/84/24/75/821842475.db2.gz DGEWCYIWDMMIDR-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694710 821907766 /nfs/dbraw/zinc/90/77/66/821907766.db2.gz NRODXXFWJYSJFE-LBPRGKRZSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694710 821907770 /nfs/dbraw/zinc/90/77/70/821907770.db2.gz NRODXXFWJYSJFE-LBPRGKRZSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710013 821911969 /nfs/dbraw/zinc/91/19/69/821911969.db2.gz WBLCHLDMJACUNL-CYBMUJFWSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710013 821911975 /nfs/dbraw/zinc/91/19/75/821911975.db2.gz WBLCHLDMJACUNL-CYBMUJFWSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782379 821949350 /nfs/dbraw/zinc/94/93/50/821949350.db2.gz SPKKJLBCQZMNTQ-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782379 821949355 /nfs/dbraw/zinc/94/93/55/821949355.db2.gz SPKKJLBCQZMNTQ-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1CC(N)=O ZINC001085786138 821953517 /nfs/dbraw/zinc/95/35/17/821953517.db2.gz HSRCKOAVIUWTER-LLVKDONJSA-N 1 2 289.335 0.087 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1CC(N)=O ZINC001085786138 821953525 /nfs/dbraw/zinc/95/35/25/821953525.db2.gz HSRCKOAVIUWTER-LLVKDONJSA-N 1 2 289.335 0.087 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085803106 821957993 /nfs/dbraw/zinc/95/79/93/821957993.db2.gz IKKOGSSFPRGLHF-SECBINFHSA-N 1 2 250.277 0.328 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085803106 821957997 /nfs/dbraw/zinc/95/79/97/821957997.db2.gz IKKOGSSFPRGLHF-SECBINFHSA-N 1 2 250.277 0.328 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899926 822005244 /nfs/dbraw/zinc/00/52/44/822005244.db2.gz RAJGMKCVCHTRAP-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(COC)n1 ZINC001085899926 822005254 /nfs/dbraw/zinc/00/52/54/822005254.db2.gz RAJGMKCVCHTRAP-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897262 822008414 /nfs/dbraw/zinc/00/84/14/822008414.db2.gz ZVKSTHNNXGKUGH-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897262 822008417 /nfs/dbraw/zinc/00/84/17/822008417.db2.gz ZVKSTHNNXGKUGH-LLVKDONJSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906410 822008453 /nfs/dbraw/zinc/00/84/53/822008453.db2.gz HRSMVJDFQKUBBO-LBPRGKRZSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906410 822008455 /nfs/dbraw/zinc/00/84/55/822008455.db2.gz HRSMVJDFQKUBBO-LBPRGKRZSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccn2cc(C)nc12 ZINC001085914028 822012670 /nfs/dbraw/zinc/01/26/70/822012670.db2.gz QHRIBOGLJTYBLC-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccn2cc(C)nc12 ZINC001085914028 822012677 /nfs/dbraw/zinc/01/26/77/822012677.db2.gz QHRIBOGLJTYBLC-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1CC ZINC001085949030 822035442 /nfs/dbraw/zinc/03/54/42/822035442.db2.gz VKOBVSFIIYDQCU-LLVKDONJSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1CC ZINC001085949030 822035451 /nfs/dbraw/zinc/03/54/51/822035451.db2.gz VKOBVSFIIYDQCU-LLVKDONJSA-N 1 2 260.341 0.752 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108227917 822041591 /nfs/dbraw/zinc/04/15/91/822041591.db2.gz IPMFQPFYFIXEBD-NFAWXSAZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001108227917 822041597 /nfs/dbraw/zinc/04/15/97/822041597.db2.gz IPMFQPFYFIXEBD-NFAWXSAZSA-N 1 2 282.384 0.947 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086111460 822116257 /nfs/dbraw/zinc/11/62/57/822116257.db2.gz LFZZIWMXWNLDMD-WRWGMCAJSA-N 1 2 273.340 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090405668 822136826 /nfs/dbraw/zinc/13/68/26/822136826.db2.gz YQJJYLADNHAMOW-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090405668 822136830 /nfs/dbraw/zinc/13/68/30/822136830.db2.gz YQJJYLADNHAMOW-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@H](C)C(=O)OC)C2)OCC1=O ZINC001273416100 822178974 /nfs/dbraw/zinc/17/89/74/822178974.db2.gz WZUZIQPVCSRMQN-LBPRGKRZSA-N 1 2 296.367 0.285 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001114024769 837404285 /nfs/dbraw/zinc/40/42/85/837404285.db2.gz FAKVKDRXKNTGAP-NMKXLXIOSA-N 1 2 289.383 0.889 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001114024769 837404289 /nfs/dbraw/zinc/40/42/89/837404289.db2.gz FAKVKDRXKNTGAP-NMKXLXIOSA-N 1 2 289.383 0.889 20 30 CCEDLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114063662 837423377 /nfs/dbraw/zinc/42/33/77/837423377.db2.gz GSEGHXCPYNNUQB-CIQGVGRVSA-N 1 2 287.367 0.609 20 30 CCEDLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114063662 837423385 /nfs/dbraw/zinc/42/33/85/837423385.db2.gz GSEGHXCPYNNUQB-CIQGVGRVSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114199457 837473235 /nfs/dbraw/zinc/47/32/35/837473235.db2.gz VEISRQPHJXUMFQ-VIKVFOODSA-N 1 2 284.363 0.827 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114199457 837473240 /nfs/dbraw/zinc/47/32/40/837473240.db2.gz VEISRQPHJXUMFQ-VIKVFOODSA-N 1 2 284.363 0.827 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)nn1C ZINC001114253199 837487582 /nfs/dbraw/zinc/48/75/82/837487582.db2.gz JOQYVLNQAJZRBS-QLPKVWCKSA-N 1 2 298.390 0.688 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)nn1C ZINC001114253199 837487586 /nfs/dbraw/zinc/48/75/86/837487586.db2.gz JOQYVLNQAJZRBS-QLPKVWCKSA-N 1 2 298.390 0.688 20 30 CCEDLO C#CCOCCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001157859247 837515931 /nfs/dbraw/zinc/51/59/31/837515931.db2.gz DYBYVSDDVFPAEH-LLVKDONJSA-N 1 2 294.355 0.575 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cncn2C)C1 ZINC001108343689 835981034 /nfs/dbraw/zinc/98/10/34/835981034.db2.gz XQWYYDMHRYJFBC-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cncn2C)C1 ZINC001108343689 835981049 /nfs/dbraw/zinc/98/10/49/835981049.db2.gz XQWYYDMHRYJFBC-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108408475 836039784 /nfs/dbraw/zinc/03/97/84/836039784.db2.gz HGMUCXFQYNTDKN-HNNXBMFYSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108408475 836039796 /nfs/dbraw/zinc/03/97/96/836039796.db2.gz HGMUCXFQYNTDKN-HNNXBMFYSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108432912 836104803 /nfs/dbraw/zinc/10/48/03/836104803.db2.gz SMIRGQBMULDQPE-ZBFHGGJFSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108432912 836104806 /nfs/dbraw/zinc/10/48/06/836104806.db2.gz SMIRGQBMULDQPE-ZBFHGGJFSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108432910 836105490 /nfs/dbraw/zinc/10/54/90/836105490.db2.gz SMIRGQBMULDQPE-GOEBONIOSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108432910 836105495 /nfs/dbraw/zinc/10/54/95/836105495.db2.gz SMIRGQBMULDQPE-GOEBONIOSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CC[NH+]1CCN([C@@H]2CC[C@H](C(=O)OCC)OC2)CC1 ZINC001169391651 836261706 /nfs/dbraw/zinc/26/17/06/836261706.db2.gz ISDODOBSBBTNJZ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1cc2nc[nH]c2c(C#N)n1 ZINC001169652320 836407312 /nfs/dbraw/zinc/40/73/12/836407312.db2.gz YUGZHVLOHPLPDZ-SECBINFHSA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1cc2nc[nH]c2c(C#N)n1 ZINC001169652320 836407317 /nfs/dbraw/zinc/40/73/17/836407317.db2.gz YUGZHVLOHPLPDZ-SECBINFHSA-N 1 2 272.312 0.572 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843336 836546259 /nfs/dbraw/zinc/54/62/59/836546259.db2.gz MFZWYCNJFAEDBN-VLEAKVRGSA-N 1 2 299.321 0.111 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC001108843336 836546267 /nfs/dbraw/zinc/54/62/67/836546267.db2.gz MFZWYCNJFAEDBN-VLEAKVRGSA-N 1 2 299.321 0.111 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109038582 836606388 /nfs/dbraw/zinc/60/63/88/836606388.db2.gz UGCRTDWSUXUYMH-RNJOBUHISA-N 1 2 295.383 0.174 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109038582 836606392 /nfs/dbraw/zinc/60/63/92/836606392.db2.gz UGCRTDWSUXUYMH-RNJOBUHISA-N 1 2 295.383 0.174 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600680 836700624 /nfs/dbraw/zinc/70/06/24/836700624.db2.gz HPMDFEVSMVVOJW-POQQGIQPSA-N 1 2 289.379 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600680 836700629 /nfs/dbraw/zinc/70/06/29/836700629.db2.gz HPMDFEVSMVVOJW-POQQGIQPSA-N 1 2 289.379 0.113 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109601796 836702989 /nfs/dbraw/zinc/70/29/89/836702989.db2.gz PHBVHLKBZGOAGJ-WOPDTQHZSA-N 1 2 279.384 0.666 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109601796 836702992 /nfs/dbraw/zinc/70/29/92/836702992.db2.gz PHBVHLKBZGOAGJ-WOPDTQHZSA-N 1 2 279.384 0.666 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncoc2C)CC1 ZINC001112656242 836847396 /nfs/dbraw/zinc/84/73/96/836847396.db2.gz BOGTUQXGTPLKJO-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001112813226 836924947 /nfs/dbraw/zinc/92/49/47/836924947.db2.gz OPATXBFSMJEPSA-CQSZACIVSA-N 1 2 282.384 0.758 20 30 CCEDLO C#CCOCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112844893 836937753 /nfs/dbraw/zinc/93/77/53/836937753.db2.gz LFDGRYGENNRDIV-UHFFFAOYSA-N 1 2 294.395 0.597 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ccc(C#N)nn1 ZINC001113154379 837038526 /nfs/dbraw/zinc/03/85/26/837038526.db2.gz CVEJRJOIXRPLDS-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCCC[NH+]1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001113182047 837046543 /nfs/dbraw/zinc/04/65/43/837046543.db2.gz VPFDKQCNXDYOQJ-UHFFFAOYSA-N 1 2 263.345 0.837 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113313187 837083611 /nfs/dbraw/zinc/08/36/11/837083611.db2.gz DUVCQIRKGUJLSD-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCCOC)c2)CC1 ZINC001113514442 837142740 /nfs/dbraw/zinc/14/27/40/837142740.db2.gz OIZKEFUHAGZZOV-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)NC(=O)NCCC)CC1 ZINC001113680303 837193541 /nfs/dbraw/zinc/19/35/41/837193541.db2.gz GICJAWBRMIHDPF-UHFFFAOYSA-N 1 2 296.415 0.804 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113723755 837206453 /nfs/dbraw/zinc/20/64/53/837206453.db2.gz UMWQYRFNFSEFJB-LBPRGKRZSA-N 1 2 290.367 0.766 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170268113 837278900 /nfs/dbraw/zinc/27/89/00/837278900.db2.gz IBBSZBVPAINSPN-AWEZNQCLSA-N 1 2 261.325 0.876 20 30 CCEDLO CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131743173 838199681 /nfs/dbraw/zinc/19/96/81/838199681.db2.gz LBYCWVGDDGJTLF-VXGBXAGGSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131743173 838199683 /nfs/dbraw/zinc/19/96/83/838199683.db2.gz LBYCWVGDDGJTLF-VXGBXAGGSA-N 1 2 280.372 0.395 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(N)=O ZINC001132033875 838301441 /nfs/dbraw/zinc/30/14/41/838301441.db2.gz MJNVXZURKNRIKL-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(N)=O ZINC001132033875 838301431 /nfs/dbraw/zinc/30/14/31/838301431.db2.gz MJNVXZURKNRIKL-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132101312 838318451 /nfs/dbraw/zinc/31/84/51/838318451.db2.gz JOTVJEURCWFHOM-OLZOCXBDSA-N 1 2 291.395 0.634 20 30 CCEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132101312 838318454 /nfs/dbraw/zinc/31/84/54/838318454.db2.gz JOTVJEURCWFHOM-OLZOCXBDSA-N 1 2 291.395 0.634 20 30 CCEDLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001132782128 838493923 /nfs/dbraw/zinc/49/39/23/838493923.db2.gz JTYYGPDOSUNLQT-STQMWFEESA-N 1 2 289.383 0.940 20 30 CCEDLO CN1CC(C(=O)NCC[NH2+]Cc2ccccc2C#N)=NC1=O ZINC001133335026 838600619 /nfs/dbraw/zinc/60/06/19/838600619.db2.gz HXFOXNNPHRYTOE-UHFFFAOYSA-N 1 2 299.334 0.517 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nonc2C)c1 ZINC001133592973 838677227 /nfs/dbraw/zinc/67/72/27/838677227.db2.gz IEXFOWSIKALWLU-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO C[C@@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)NCC#N ZINC001134234482 838914227 /nfs/dbraw/zinc/91/42/27/838914227.db2.gz HMRCAXNLNSEYDX-QWRGUYRKSA-N 1 2 263.345 0.739 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590235 839660572 /nfs/dbraw/zinc/66/05/72/839660572.db2.gz RQQZLZRYKRRUCA-RYUDHWBXSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590235 839660583 /nfs/dbraw/zinc/66/05/83/839660583.db2.gz RQQZLZRYKRRUCA-RYUDHWBXSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090672275 839725346 /nfs/dbraw/zinc/72/53/46/839725346.db2.gz REDXDUTYDIEUPS-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090672275 839725350 /nfs/dbraw/zinc/72/53/50/839725350.db2.gz REDXDUTYDIEUPS-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001143908031 839891568 /nfs/dbraw/zinc/89/15/68/839891568.db2.gz BSCDAMVPZBUCOV-UHFFFAOYSA-N 1 2 268.320 0.840 20 30 CCEDLO CC1(C)CN(Cc2cncc(C#N)c2)CC[N@@H+]1CC(N)=O ZINC001144079290 839929612 /nfs/dbraw/zinc/92/96/12/839929612.db2.gz GYQMVUROYUGFSL-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC1(C)CN(Cc2cncc(C#N)c2)CC[N@H+]1CC(N)=O ZINC001144079290 839929617 /nfs/dbraw/zinc/92/96/17/839929617.db2.gz GYQMVUROYUGFSL-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001091106975 840051827 /nfs/dbraw/zinc/05/18/27/840051827.db2.gz YGYHTVQMXHUYOI-OTTFEQOBSA-N 1 2 287.367 0.453 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)N/C(C)=C\C(C)=O)C1 ZINC001186115762 844513546 /nfs/dbraw/zinc/51/35/46/844513546.db2.gz MJSGIGKPGRWPGV-WDDYJBPVSA-N 1 2 268.313 0.090 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N/C(C)=C\C(C)=O)C1 ZINC001186115762 844513553 /nfs/dbraw/zinc/51/35/53/844513553.db2.gz MJSGIGKPGRWPGV-WDDYJBPVSA-N 1 2 268.313 0.090 20 30 CCEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000234816818 840685017 /nfs/dbraw/zinc/68/50/17/840685017.db2.gz XOOPKSGCBLFEEH-RWMBFGLXSA-N 1 2 256.346 0.634 20 30 CCEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000234816818 840685022 /nfs/dbraw/zinc/68/50/22/840685022.db2.gz XOOPKSGCBLFEEH-RWMBFGLXSA-N 1 2 256.346 0.634 20 30 CCEDLO COC(=O)c1c(OC)cc[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001171363259 840952420 /nfs/dbraw/zinc/95/24/20/840952420.db2.gz FLASYQLQAZACSY-XVKPBYJWSA-N 1 2 295.295 0.525 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036786397 841217652 /nfs/dbraw/zinc/21/76/52/841217652.db2.gz URLOMODFWLVMKU-UONOGXRCSA-N 1 2 287.367 0.720 20 30 CCEDLO C=CCCC(=O)NCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001093516187 841303819 /nfs/dbraw/zinc/30/38/19/841303819.db2.gz CCEYANZLVWEEJH-UHFFFAOYSA-N 1 2 289.383 0.959 20 30 CCEDLO C=CCCC(=O)NCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001093516187 841303833 /nfs/dbraw/zinc/30/38/33/841303833.db2.gz CCEYANZLVWEEJH-UHFFFAOYSA-N 1 2 289.383 0.959 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830661 841338126 /nfs/dbraw/zinc/33/81/26/841338126.db2.gz YVPJFHNMAWNDQW-WCQYABFASA-N 1 2 273.340 0.399 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001093582471 841350571 /nfs/dbraw/zinc/35/05/71/841350571.db2.gz SSZPGWOSYHMRIL-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715869776 841411164 /nfs/dbraw/zinc/41/11/64/841411164.db2.gz LDUSXXYANMHHCJ-SNVBAGLBSA-N 1 2 251.334 0.641 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)CCCn2cc[nH+]c2)n1 ZINC001093714948 841444237 /nfs/dbraw/zinc/44/42/37/841444237.db2.gz WDVWBNJATGBGQP-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001094224988 841571197 /nfs/dbraw/zinc/57/11/97/841571197.db2.gz KPPZQGCYWFURBR-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001094224988 841571203 /nfs/dbraw/zinc/57/12/03/841571203.db2.gz KPPZQGCYWFURBR-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CCC3)nn2)C1 ZINC001094269449 841575631 /nfs/dbraw/zinc/57/56/31/841575631.db2.gz RFQQAPBHOCTQDH-UHFFFAOYSA-N 1 2 275.356 0.737 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001094308584 841592098 /nfs/dbraw/zinc/59/20/98/841592098.db2.gz ZGNCXBAAUYZHOD-UHFFFAOYSA-N 1 2 288.311 0.239 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1ccncc1C#N ZINC001094524093 841657687 /nfs/dbraw/zinc/65/76/87/841657687.db2.gz JGVDGMBBQWMBBU-UHFFFAOYSA-N 1 2 298.350 0.568 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)F)CC2=O)C1 ZINC001094695686 841707224 /nfs/dbraw/zinc/70/72/24/841707224.db2.gz WQXIRPUAQCXKFB-SNVBAGLBSA-N 1 2 283.347 0.322 20 30 CCEDLO N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095004786 841995722 /nfs/dbraw/zinc/99/57/22/841995722.db2.gz HZLVSLIEZSGKSV-GVXVVHGQSA-N 1 2 273.340 0.445 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC001110169676 842043523 /nfs/dbraw/zinc/04/35/23/842043523.db2.gz YGCHWZUAVWTOIK-UHFFFAOYSA-N 1 2 296.334 0.911 20 30 CCEDLO N#Cc1ncc(Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC001174489419 842187753 /nfs/dbraw/zinc/18/77/53/842187753.db2.gz DPADNVIRMLOJBU-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](C#N)N(C)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175076741 842228399 /nfs/dbraw/zinc/22/83/99/842228399.db2.gz FSACWZIUPKUTDC-JTQLQIEISA-N 1 2 261.329 0.703 20 30 CCEDLO C[C@@H](C#N)N(C)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175076741 842228411 /nfs/dbraw/zinc/22/84/11/842228411.db2.gz FSACWZIUPKUTDC-JTQLQIEISA-N 1 2 261.329 0.703 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938539 842455762 /nfs/dbraw/zinc/45/57/62/842455762.db2.gz VPKXNOKGBBONIB-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938539 842455766 /nfs/dbraw/zinc/45/57/66/842455766.db2.gz VPKXNOKGBBONIB-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176954730 842468480 /nfs/dbraw/zinc/46/84/80/842468480.db2.gz ILCPAALLGFJULB-STQMWFEESA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176954730 842468485 /nfs/dbraw/zinc/46/84/85/842468485.db2.gz ILCPAALLGFJULB-STQMWFEESA-N 1 2 268.357 0.247 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176990089 842479647 /nfs/dbraw/zinc/47/96/47/842479647.db2.gz ZALFDGIVTUWYLW-KBPBESRZSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176990089 842479653 /nfs/dbraw/zinc/47/96/53/842479653.db2.gz ZALFDGIVTUWYLW-KBPBESRZSA-N 1 2 280.368 0.084 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccnc(C#N)c1 ZINC001177672785 842650090 /nfs/dbraw/zinc/65/00/90/842650090.db2.gz QTMBVQIGEGZRPN-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccnc(C#N)c1 ZINC001177672785 842650097 /nfs/dbraw/zinc/65/00/97/842650097.db2.gz QTMBVQIGEGZRPN-LBPRGKRZSA-N 1 2 288.351 0.333 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001177998693 842722869 /nfs/dbraw/zinc/72/28/69/842722869.db2.gz VNZDCNKCDYZTHL-UHFFFAOYSA-N 1 2 290.323 0.648 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CN(c3cnccn3)C2)CC1 ZINC001178092670 842771298 /nfs/dbraw/zinc/77/12/98/842771298.db2.gz HTVSVHBVXOSCQV-UHFFFAOYSA-N 1 2 287.367 0.243 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001273542480 844734502 /nfs/dbraw/zinc/73/45/02/844734502.db2.gz LMDHEZUBIDTCOE-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001188301984 844872120 /nfs/dbraw/zinc/87/21/20/844872120.db2.gz OMAAQPJTGHDXGQ-WDEREUQCSA-N 1 2 296.396 0.820 20 30 CCEDLO COc1ccc(C#N)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001189097358 845049421 /nfs/dbraw/zinc/04/94/21/845049421.db2.gz WEXFLMFXKJDHLI-ZDUSSCGKSA-N 1 2 289.335 0.627 20 30 CCEDLO COc1ccc(C#N)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001189097358 845049428 /nfs/dbraw/zinc/04/94/28/845049428.db2.gz WEXFLMFXKJDHLI-ZDUSSCGKSA-N 1 2 289.335 0.627 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)C(C)(C)O)c1 ZINC001190400166 845397825 /nfs/dbraw/zinc/39/78/25/845397825.db2.gz WWBZTAQWOBUQJQ-AWEZNQCLSA-N 1 2 290.363 0.670 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)C(C)(C)O)c1 ZINC001190400166 845397836 /nfs/dbraw/zinc/39/78/36/845397836.db2.gz WWBZTAQWOBUQJQ-AWEZNQCLSA-N 1 2 290.363 0.670 20 30 CCEDLO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191853238 845742085 /nfs/dbraw/zinc/74/20/85/845742085.db2.gz DAAWPUJHLFXFTE-IACUBPJLSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191853238 845742088 /nfs/dbraw/zinc/74/20/88/845742088.db2.gz DAAWPUJHLFXFTE-IACUBPJLSA-N 1 2 288.351 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001192230719 845807639 /nfs/dbraw/zinc/80/76/39/845807639.db2.gz QVEBFFIRIYFTFY-GHMZBOCLSA-N 1 2 254.305 0.434 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001192230719 845807650 /nfs/dbraw/zinc/80/76/50/845807650.db2.gz QVEBFFIRIYFTFY-GHMZBOCLSA-N 1 2 254.305 0.434 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001192416155 845838587 /nfs/dbraw/zinc/83/85/87/845838587.db2.gz KNFHAMYSNMOWIK-ZDUSSCGKSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001192416155 845838595 /nfs/dbraw/zinc/83/85/95/845838595.db2.gz KNFHAMYSNMOWIK-ZDUSSCGKSA-N 1 2 275.356 0.293 20 30 CCEDLO CCCC[NH+]1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC001193127464 845990670 /nfs/dbraw/zinc/99/06/70/845990670.db2.gz PJNNGMIPIVQFTH-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193231550 846028467 /nfs/dbraw/zinc/02/84/67/846028467.db2.gz IGBWAKVJAODQFY-CHWSQXEVSA-N 1 2 270.348 0.886 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193231550 846028475 /nfs/dbraw/zinc/02/84/75/846028475.db2.gz IGBWAKVJAODQFY-CHWSQXEVSA-N 1 2 270.348 0.886 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CCF ZINC001193185414 846029059 /nfs/dbraw/zinc/02/90/59/846029059.db2.gz IMBANMIHJFXPMB-QMMMGPOBSA-N 1 2 260.294 0.184 20 30 CCEDLO CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001273654953 846035480 /nfs/dbraw/zinc/03/54/80/846035480.db2.gz JMPFZZYINAHQAH-STQMWFEESA-N 1 2 295.383 0.532 20 30 CCEDLO C=CCOC(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001194304876 846259298 /nfs/dbraw/zinc/25/92/98/846259298.db2.gz TULHGCMOZUDZEF-UHFFFAOYSA-N 1 2 283.372 0.259 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)CO2 ZINC001273675220 846281220 /nfs/dbraw/zinc/28/12/20/846281220.db2.gz FRTQCJRZXDBSSN-AWEZNQCLSA-N 1 2 294.395 0.949 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315118 846504028 /nfs/dbraw/zinc/50/40/28/846504028.db2.gz YWFIZAAELJOENU-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195315118 846504033 /nfs/dbraw/zinc/50/40/33/846504033.db2.gz YWFIZAAELJOENU-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195981803 846656710 /nfs/dbraw/zinc/65/67/10/846656710.db2.gz FYUUKZQJJLOVJD-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195981803 846656714 /nfs/dbraw/zinc/65/67/14/846656714.db2.gz FYUUKZQJJLOVJD-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196789666 846802264 /nfs/dbraw/zinc/80/22/64/846802264.db2.gz DCJQWROYDWXCSQ-AWEZNQCLSA-N 1 2 299.390 0.817 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196789666 846802266 /nfs/dbraw/zinc/80/22/66/846802266.db2.gz DCJQWROYDWXCSQ-AWEZNQCLSA-N 1 2 299.390 0.817 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001197198207 846870704 /nfs/dbraw/zinc/87/07/04/846870704.db2.gz QGGSJBBXHYJHKH-CHWSQXEVSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001197198207 846870711 /nfs/dbraw/zinc/87/07/11/846870711.db2.gz QGGSJBBXHYJHKH-CHWSQXEVSA-N 1 2 266.385 0.997 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197277371 846889198 /nfs/dbraw/zinc/88/91/98/846889198.db2.gz DVNUCNZDZHEXMR-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197277371 846889208 /nfs/dbraw/zinc/88/92/08/846889208.db2.gz DVNUCNZDZHEXMR-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C[N@H+](CCCCC#N)Cc1nnc2n1CCNC2=O ZINC001197711621 846951569 /nfs/dbraw/zinc/95/15/69/846951569.db2.gz WIUVZELQUFPKNV-UHFFFAOYSA-N 1 2 262.317 0.147 20 30 CCEDLO C[N@@H+](CCCCC#N)Cc1nnc2n1CCNC2=O ZINC001197711621 846951574 /nfs/dbraw/zinc/95/15/74/846951574.db2.gz WIUVZELQUFPKNV-UHFFFAOYSA-N 1 2 262.317 0.147 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001110533910 847343116 /nfs/dbraw/zinc/34/31/16/847343116.db2.gz MMNDNUGMFKWBIO-LPWJVIDDSA-N 1 2 277.368 0.241 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001110533910 847343125 /nfs/dbraw/zinc/34/31/25/847343125.db2.gz MMNDNUGMFKWBIO-LPWJVIDDSA-N 1 2 277.368 0.241 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1cnc(C#N)cn1 ZINC001199668559 847392078 /nfs/dbraw/zinc/39/20/78/847392078.db2.gz YDGRMJXEWHRHRR-UHFFFAOYSA-N 1 2 286.295 0.121 20 30 CCEDLO C=CCNC(=S)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001200304227 847603360 /nfs/dbraw/zinc/60/33/60/847603360.db2.gz UFZQYADEDHSVHR-NSHDSACASA-N 1 2 296.396 0.544 20 30 CCEDLO C=CCN1CC[N@@H+](C)C2(CCN(C(=S)NC)CC2)C1=O ZINC001200603211 847671912 /nfs/dbraw/zinc/67/19/12/847671912.db2.gz CDKJLIGPLPVRGV-UHFFFAOYSA-N 1 2 296.440 0.285 20 30 CCEDLO C=CCN1CC[N@H+](C)C2(CCN(C(=S)NC)CC2)C1=O ZINC001200603211 847671918 /nfs/dbraw/zinc/67/19/18/847671918.db2.gz CDKJLIGPLPVRGV-UHFFFAOYSA-N 1 2 296.440 0.285 20 30 CCEDLO C#CCN1CC2(C[NH+](C[C@@H](O)CCCCC)C2)OCC1=O ZINC001273874787 847711262 /nfs/dbraw/zinc/71/12/62/847711262.db2.gz ATPIVHCSCVMFAU-AWEZNQCLSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273907341 847814472 /nfs/dbraw/zinc/81/44/72/847814472.db2.gz MKESNLKUNGEOML-DOMZBBRYSA-N 1 2 278.352 0.638 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273907341 847814475 /nfs/dbraw/zinc/81/44/75/847814475.db2.gz MKESNLKUNGEOML-DOMZBBRYSA-N 1 2 278.352 0.638 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001153135475 847932519 /nfs/dbraw/zinc/93/25/19/847932519.db2.gz UNTAZUONNGQSGE-NSHDSACASA-N 1 2 264.329 0.274 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001252483270 847983028 /nfs/dbraw/zinc/98/30/28/847983028.db2.gz RXORKIZEKONBQB-STQMWFEESA-N 1 2 287.356 0.108 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(C)(=O)=O)C2 ZINC001110726242 847987846 /nfs/dbraw/zinc/98/78/46/847987846.db2.gz FEAFNJYBFWMKMC-UTUOFQBUSA-N 1 2 286.397 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(C)(=O)=O)C2 ZINC001110726242 847987850 /nfs/dbraw/zinc/98/78/50/847987850.db2.gz FEAFNJYBFWMKMC-UTUOFQBUSA-N 1 2 286.397 0.329 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001205983375 848276960 /nfs/dbraw/zinc/27/69/60/848276960.db2.gz HZPBEVAVXHMPDV-UKRRQHHQSA-N 1 2 294.395 0.832 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001205983375 848276968 /nfs/dbraw/zinc/27/69/68/848276968.db2.gz HZPBEVAVXHMPDV-UKRRQHHQSA-N 1 2 294.395 0.832 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cnnn2C)C1=O ZINC001274130016 848357019 /nfs/dbraw/zinc/35/70/19/848357019.db2.gz KLRGSZYYZPMLTK-CQSZACIVSA-N 1 2 275.356 0.568 20 30 CCEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cnnn2C)C1=O ZINC001274130016 848357026 /nfs/dbraw/zinc/35/70/26/848357026.db2.gz KLRGSZYYZPMLTK-CQSZACIVSA-N 1 2 275.356 0.568 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1CO ZINC000687624207 849132024 /nfs/dbraw/zinc/13/20/24/849132024.db2.gz HHPIEFSBNAXWBS-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1CO ZINC000687624207 849132030 /nfs/dbraw/zinc/13/20/30/849132030.db2.gz HHPIEFSBNAXWBS-GFCCVEGCSA-N 1 2 265.357 0.595 20 30 CCEDLO CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001276376897 849796961 /nfs/dbraw/zinc/79/69/61/849796961.db2.gz QABSSQNXTPZJKV-NSHDSACASA-N 1 2 279.384 0.218 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001038202327 849816253 /nfs/dbraw/zinc/81/62/53/849816253.db2.gz WSNLSCXWVKOVRD-ZDUSSCGKSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001038202327 849816260 /nfs/dbraw/zinc/81/62/60/849816260.db2.gz WSNLSCXWVKOVRD-ZDUSSCGKSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038446076 849903814 /nfs/dbraw/zinc/90/38/14/849903814.db2.gz NWLFBXZCMGKGQW-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038446076 849903828 /nfs/dbraw/zinc/90/38/28/849903828.db2.gz NWLFBXZCMGKGQW-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038528583 849931556 /nfs/dbraw/zinc/93/15/56/849931556.db2.gz FOKVXDXOHNINCL-RFQIPJPRSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038528583 849931559 /nfs/dbraw/zinc/93/15/59/849931559.db2.gz FOKVXDXOHNINCL-RFQIPJPRSA-N 1 2 262.353 0.625 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663028 849972669 /nfs/dbraw/zinc/97/26/69/849972669.db2.gz YAGDCIASJSMAPF-KGLIPLIRSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663028 849972676 /nfs/dbraw/zinc/97/26/76/849972676.db2.gz YAGDCIASJSMAPF-KGLIPLIRSA-N 1 2 291.395 0.812 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038811548 850023308 /nfs/dbraw/zinc/02/33/08/850023308.db2.gz OBGWJIACAKMAFU-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038811548 850023311 /nfs/dbraw/zinc/02/33/11/850023311.db2.gz OBGWJIACAKMAFU-LBPRGKRZSA-N 1 2 258.325 0.531 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038854834 850051187 /nfs/dbraw/zinc/05/11/87/850051187.db2.gz ZBNHSCBTPOYNOH-LBPRGKRZSA-N 1 2 275.356 0.686 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038854834 850051192 /nfs/dbraw/zinc/05/11/92/850051192.db2.gz ZBNHSCBTPOYNOH-LBPRGKRZSA-N 1 2 275.356 0.686 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001038976048 850108082 /nfs/dbraw/zinc/10/80/82/850108082.db2.gz MFPRKQPKYYOUPX-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001038976048 850108088 /nfs/dbraw/zinc/10/80/88/850108088.db2.gz MFPRKQPKYYOUPX-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001039004653 850116906 /nfs/dbraw/zinc/11/69/06/850116906.db2.gz DHPBZTVWJAFHSW-CYBMUJFWSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001039004653 850116913 /nfs/dbraw/zinc/11/69/13/850116913.db2.gz DHPBZTVWJAFHSW-CYBMUJFWSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001039018569 850121499 /nfs/dbraw/zinc/12/14/99/850121499.db2.gz OKIYAZYWRRJBMF-GFCCVEGCSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001039018569 850121503 /nfs/dbraw/zinc/12/15/03/850121503.db2.gz OKIYAZYWRRJBMF-GFCCVEGCSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039052427 850140488 /nfs/dbraw/zinc/14/04/88/850140488.db2.gz AJDUEHPPAYBSIO-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039052427 850140494 /nfs/dbraw/zinc/14/04/94/850140494.db2.gz AJDUEHPPAYBSIO-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001039415250 850185763 /nfs/dbraw/zinc/18/57/63/850185763.db2.gz AGYIBMBUQNRXHY-NEPJUHHUSA-N 1 2 273.340 0.425 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001039415250 850185773 /nfs/dbraw/zinc/18/57/73/850185773.db2.gz AGYIBMBUQNRXHY-NEPJUHHUSA-N 1 2 273.340 0.425 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443290 850192132 /nfs/dbraw/zinc/19/21/32/850192132.db2.gz ODVWLMPHYYCKHJ-OLZOCXBDSA-N 1 2 273.340 0.541 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001042285899 850610003 /nfs/dbraw/zinc/61/00/03/850610003.db2.gz SQHGWEJXNAKBAP-NWDGAFQWSA-N 1 2 273.340 0.399 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001042512364 850675721 /nfs/dbraw/zinc/67/57/21/850675721.db2.gz RAPVXMUNYCLWNQ-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042589666 850705608 /nfs/dbraw/zinc/70/56/08/850705608.db2.gz KSWJJUICTUEQMM-UHFFFAOYSA-N 1 2 256.309 0.666 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001042835911 850766547 /nfs/dbraw/zinc/76/65/47/850766547.db2.gz WIIWRLAGRHTVMJ-NSHDSACASA-N 1 2 293.367 0.243 20 30 CCEDLO C#CCN1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043063670 850807885 /nfs/dbraw/zinc/80/78/85/850807885.db2.gz VBQLBGGDKVZLTA-UHFFFAOYSA-N 1 2 274.368 0.702 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001043139395 850820959 /nfs/dbraw/zinc/82/09/59/850820959.db2.gz HJSGFHQQCQJSAJ-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc(OC)cn2)C1 ZINC001043295715 850848674 /nfs/dbraw/zinc/84/86/74/850848674.db2.gz UAAHIAVOQATZDE-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001043510430 850888532 /nfs/dbraw/zinc/88/85/32/850888532.db2.gz NOKLJZWJESSZJS-LBPRGKRZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001043592645 850905169 /nfs/dbraw/zinc/90/51/69/850905169.db2.gz FFRZBCFMINHMEC-UHFFFAOYSA-N 1 2 276.340 0.823 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CCOCC2)C1 ZINC001044057929 850995726 /nfs/dbraw/zinc/99/57/26/850995726.db2.gz XDCVRSPNOHUISR-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001046019498 851354394 /nfs/dbraw/zinc/35/43/94/851354394.db2.gz DXTATLUCDFNGTI-HNNXBMFYSA-N 1 2 288.395 0.839 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286863 851454219 /nfs/dbraw/zinc/45/42/19/851454219.db2.gz GWDNNNPRKVPUDJ-JOYOIKCWSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286863 851454221 /nfs/dbraw/zinc/45/42/21/851454221.db2.gz GWDNNNPRKVPUDJ-JOYOIKCWSA-N 1 2 287.747 0.428 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001047331126 851721865 /nfs/dbraw/zinc/72/18/65/851721865.db2.gz DWKLSTCITFCORQ-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001047331126 851721870 /nfs/dbraw/zinc/72/18/70/851721870.db2.gz DWKLSTCITFCORQ-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csnc2C)C1 ZINC001047356084 851734363 /nfs/dbraw/zinc/73/43/63/851734363.db2.gz QXNXPPSIHSJKAA-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csnc2C)C1 ZINC001047356084 851734370 /nfs/dbraw/zinc/73/43/70/851734370.db2.gz QXNXPPSIHSJKAA-STQMWFEESA-N 1 2 293.392 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001047416436 851754805 /nfs/dbraw/zinc/75/48/05/851754805.db2.gz BWAIGOJOGSROTE-KBPBESRZSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001047416436 851754809 /nfs/dbraw/zinc/75/48/09/851754809.db2.gz BWAIGOJOGSROTE-KBPBESRZSA-N 1 2 298.346 0.313 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001047459162 851772525 /nfs/dbraw/zinc/77/25/25/851772525.db2.gz NLSKCEVUTGNITO-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001047459162 851772528 /nfs/dbraw/zinc/77/25/28/851772528.db2.gz NLSKCEVUTGNITO-GJZGRUSLSA-N 1 2 287.363 0.394 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)c1 ZINC001047521597 851800317 /nfs/dbraw/zinc/80/03/17/851800317.db2.gz WHLFGRKUMHVERI-KBPBESRZSA-N 1 2 291.326 0.150 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)c1 ZINC001047521597 851800325 /nfs/dbraw/zinc/80/03/25/851800325.db2.gz WHLFGRKUMHVERI-KBPBESRZSA-N 1 2 291.326 0.150 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337191 898801016 /nfs/dbraw/zinc/80/10/16/898801016.db2.gz ICCVPTSIUQXQJB-BDAKNGLRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486337191 898801031 /nfs/dbraw/zinc/80/10/31/898801031.db2.gz ICCVPTSIUQXQJB-BDAKNGLRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486337191 898801051 /nfs/dbraw/zinc/80/10/51/898801051.db2.gz ICCVPTSIUQXQJB-BDAKNGLRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337191 898800995 /nfs/dbraw/zinc/80/09/95/898800995.db2.gz ICCVPTSIUQXQJB-BDAKNGLRSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2 ZINC001096549571 852305681 /nfs/dbraw/zinc/30/56/81/852305681.db2.gz GFJOMUYSLXVWRS-RDBSUJKOSA-N 1 2 272.352 0.546 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2 ZINC001096549571 852305692 /nfs/dbraw/zinc/30/56/92/852305692.db2.gz GFJOMUYSLXVWRS-RDBSUJKOSA-N 1 2 272.352 0.546 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779282 852438473 /nfs/dbraw/zinc/43/84/73/852438473.db2.gz UQSSELBIQQKIMB-MXWKQRLJSA-N 1 2 296.762 0.147 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779282 852438478 /nfs/dbraw/zinc/43/84/78/852438478.db2.gz UQSSELBIQQKIMB-MXWKQRLJSA-N 1 2 296.762 0.147 20 30 CCEDLO Cc1nc(N(C)C)nc(N[C@H](C)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001097740981 852598411 /nfs/dbraw/zinc/59/84/11/852598411.db2.gz PWGQNNOLIYJBSY-RKDXNWHRSA-N 1 2 291.359 0.322 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749988 852650596 /nfs/dbraw/zinc/65/05/96/852650596.db2.gz FIICRTVUXBUWFU-NSHDSACASA-N 1 2 261.329 0.446 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)CCO2 ZINC001053265514 852720605 /nfs/dbraw/zinc/72/06/05/852720605.db2.gz UUMQXMMJLTUIIH-BBRMVZONSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC(OC)C1)CCO2 ZINC001053299405 852725409 /nfs/dbraw/zinc/72/54/09/852725409.db2.gz PJWYWFBWLITIDK-UHFFFAOYSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1OCC[C@H]1C)O2 ZINC001053661612 852773599 /nfs/dbraw/zinc/77/35/99/852773599.db2.gz YLJQWZAYAUWKTP-RDBSUJKOSA-N 1 2 294.395 0.947 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NCC#N ZINC001054924389 853037957 /nfs/dbraw/zinc/03/79/57/853037957.db2.gz DQLZKLVXSVAAOA-RYUDHWBXSA-N 1 2 275.356 0.313 20 30 CCEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001056687782 853183500 /nfs/dbraw/zinc/18/35/00/853183500.db2.gz QXPHFGUHWYXINS-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO N#Cc1cccnc1N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056790758 853214895 /nfs/dbraw/zinc/21/48/95/853214895.db2.gz VZHDGYLSEOIMHC-GFCCVEGCSA-N 1 2 296.334 0.932 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2CN(CC#N)C[C@H]21 ZINC001050191452 853333566 /nfs/dbraw/zinc/33/35/66/853333566.db2.gz YCFQBJYCBYNGGQ-GXTWGEPZSA-N 1 2 287.367 0.707 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050804695 853441444 /nfs/dbraw/zinc/44/14/44/853441444.db2.gz BDHHXSSORQXYGJ-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050804695 853441454 /nfs/dbraw/zinc/44/14/54/853441454.db2.gz BDHHXSSORQXYGJ-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001050848754 853460349 /nfs/dbraw/zinc/46/03/49/853460349.db2.gz ONRXEYBLUSCBGF-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001050848754 853460357 /nfs/dbraw/zinc/46/03/57/853460357.db2.gz ONRXEYBLUSCBGF-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867428 853469268 /nfs/dbraw/zinc/46/92/68/853469268.db2.gz GIOHHENJDROTBI-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867428 853469275 /nfs/dbraw/zinc/46/92/75/853469275.db2.gz GIOHHENJDROTBI-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnnn1CC ZINC001050907488 853483273 /nfs/dbraw/zinc/48/32/73/853483273.db2.gz ZDZGQNWQFKDJIV-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnnn1CC ZINC001050907488 853483274 /nfs/dbraw/zinc/48/32/74/853483274.db2.gz ZDZGQNWQFKDJIV-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001050924347 853488430 /nfs/dbraw/zinc/48/84/30/853488430.db2.gz FAIXJXAZRVCCRE-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001050924347 853488434 /nfs/dbraw/zinc/48/84/34/853488434.db2.gz FAIXJXAZRVCCRE-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CCC)c1 ZINC001051106897 853525216 /nfs/dbraw/zinc/52/52/16/853525216.db2.gz QGKJTZIDWLXWQJ-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)c1 ZINC001051106897 853525225 /nfs/dbraw/zinc/52/52/25/853525225.db2.gz QGKJTZIDWLXWQJ-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001052088475 853681667 /nfs/dbraw/zinc/68/16/67/853681667.db2.gz JHVIIENDGLXYQX-LSDHHAIUSA-N 1 2 287.407 0.638 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052065935 853681964 /nfs/dbraw/zinc/68/19/64/853681964.db2.gz PXQQCANKWKHHKB-OWCLPIDISA-N 1 2 289.423 0.884 20 30 CCEDLO N#Cc1cnccc1N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058422348 853842205 /nfs/dbraw/zinc/84/22/05/853842205.db2.gz CAFKXMDVRIKLTB-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069887408 853993384 /nfs/dbraw/zinc/99/33/84/853993384.db2.gz WYVOBHVELCDYBW-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001069887408 853993391 /nfs/dbraw/zinc/99/33/91/853993391.db2.gz WYVOBHVELCDYBW-OLZOCXBDSA-N 1 2 273.340 0.053 20 30 CCEDLO CC[C@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070676611 854086620 /nfs/dbraw/zinc/08/66/20/854086620.db2.gz GHYNYNHMQHELQR-GRYCIOLGSA-N 1 2 293.346 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001070947205 854108808 /nfs/dbraw/zinc/10/88/08/854108808.db2.gz MPCWCBITNAVDIG-CYBMUJFWSA-N 1 2 292.383 0.373 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001070947205 854108812 /nfs/dbraw/zinc/10/88/12/854108812.db2.gz MPCWCBITNAVDIG-CYBMUJFWSA-N 1 2 292.383 0.373 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1CC#N ZINC001072124080 854349749 /nfs/dbraw/zinc/34/97/49/854349749.db2.gz XIUMLYKGHUPEGK-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001072553302 854413925 /nfs/dbraw/zinc/41/39/25/854413925.db2.gz XCJQCFBNNCPGLI-JTQLQIEISA-N 1 2 291.380 0.732 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001072553302 854413928 /nfs/dbraw/zinc/41/39/28/854413928.db2.gz XCJQCFBNNCPGLI-JTQLQIEISA-N 1 2 291.380 0.732 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073544065 854585632 /nfs/dbraw/zinc/58/56/32/854585632.db2.gz WJWMSIPNUKSSAP-NSHDSACASA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073544065 854585635 /nfs/dbraw/zinc/58/56/35/854585635.db2.gz WJWMSIPNUKSSAP-NSHDSACASA-N 1 2 298.774 0.983 20 30 CCEDLO C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073662755 854627393 /nfs/dbraw/zinc/62/73/93/854627393.db2.gz PPALHKZQMFCDEY-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073662755 854627397 /nfs/dbraw/zinc/62/73/97/854627397.db2.gz PPALHKZQMFCDEY-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C=CCN1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074346117 854713667 /nfs/dbraw/zinc/71/36/67/854713667.db2.gz JKBNCMXZHZIBBN-ZIAGYGMSSA-N 1 2 290.367 0.440 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)nc1 ZINC001074386023 854723325 /nfs/dbraw/zinc/72/33/25/854723325.db2.gz ZBBWLSAXXKGPIU-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)nc1 ZINC001074386023 854723329 /nfs/dbraw/zinc/72/33/29/854723329.db2.gz ZBBWLSAXXKGPIU-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001074719464 854770370 /nfs/dbraw/zinc/77/03/70/854770370.db2.gz GYDZRPNUUVHVTA-AVGNSLFASA-N 1 2 287.367 0.548 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098594986 854871438 /nfs/dbraw/zinc/87/14/38/854871438.db2.gz AZVVOWWQDHDFIC-CQSZACIVSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700453 854876853 /nfs/dbraw/zinc/87/68/53/854876853.db2.gz MBXOGZKUVBMMCD-YUTCNCBUSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]ncc2F)C1 ZINC001099013989 854905064 /nfs/dbraw/zinc/90/50/64/854905064.db2.gz FYIBHOZQZJBAIX-HZMBPMFUSA-N 1 2 276.315 0.766 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]ncc2F)C1 ZINC001099013989 854905065 /nfs/dbraw/zinc/90/50/65/854905065.db2.gz FYIBHOZQZJBAIX-HZMBPMFUSA-N 1 2 276.315 0.766 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001099712788 854974164 /nfs/dbraw/zinc/97/41/64/854974164.db2.gz GHHLXYMHCVFQMB-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ncccc1C#N ZINC001100555211 855187002 /nfs/dbraw/zinc/18/70/02/855187002.db2.gz FXJLSNSAJXPPFU-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)c1nccn12 ZINC001101620091 855326786 /nfs/dbraw/zinc/32/67/86/855326786.db2.gz BMXKHIIIURBQNA-STQMWFEESA-N 1 2 297.362 0.638 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)c1nccn12 ZINC001101617123 855327108 /nfs/dbraw/zinc/32/71/08/855327108.db2.gz KSQMCXWYYNRSRV-NEPJUHHUSA-N 1 2 285.351 0.801 20 30 CCEDLO CN(CC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001116201394 855730391 /nfs/dbraw/zinc/73/03/91/855730391.db2.gz QRNMNKRCUSLRIL-UHFFFAOYSA-N 1 2 275.356 0.614 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001116841777 855844669 /nfs/dbraw/zinc/84/46/69/855844669.db2.gz OTYLZMGSZIEKHS-STQMWFEESA-N 1 2 285.388 0.550 20 30 CCEDLO C#CC[NH+]1CCN(c2ncnc3scnc32)CC1 ZINC001118516310 856325485 /nfs/dbraw/zinc/32/54/85/856325485.db2.gz BOUPHFJEMJKPKP-UHFFFAOYSA-N 1 2 259.338 0.842 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(CC)oc2=S)CC1 ZINC001119385635 856663228 /nfs/dbraw/zinc/66/32/28/856663228.db2.gz NYHMSUOQOLGIQY-UHFFFAOYSA-N 1 2 266.370 0.976 20 30 CCEDLO C#CCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001119600185 856769701 /nfs/dbraw/zinc/76/97/01/856769701.db2.gz FJLNJWLPLINUJZ-UHFFFAOYSA-N 1 2 261.325 0.650 20 30 CCEDLO C=C(C)Cn1nnnc1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001119719407 856853238 /nfs/dbraw/zinc/85/32/38/856853238.db2.gz QKMUEVMHGNLNGY-CHWSQXEVSA-N 1 2 292.387 0.549 20 30 CCEDLO C=CCNC(=O)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC001120035213 856966385 /nfs/dbraw/zinc/96/63/85/856966385.db2.gz RYLSMIRNIVNLPC-JTQLQIEISA-N 1 2 279.344 0.374 20 30 CCEDLO C=CCNC(=O)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC001120035213 856966390 /nfs/dbraw/zinc/96/63/90/856966390.db2.gz RYLSMIRNIVNLPC-JTQLQIEISA-N 1 2 279.344 0.374 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1cccnc1 ZINC001323319903 912261258 /nfs/dbraw/zinc/26/12/58/912261258.db2.gz SYQRPMBPVMOIRW-LBPRGKRZSA-N 1 2 259.309 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1cccnc1 ZINC001323319903 912261275 /nfs/dbraw/zinc/26/12/75/912261275.db2.gz SYQRPMBPVMOIRW-LBPRGKRZSA-N 1 2 259.309 0.284 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CCCCC1 ZINC001323340903 912282656 /nfs/dbraw/zinc/28/26/56/912282656.db2.gz RTNWTGXGNLNIQT-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)C1CCCCC1 ZINC001323340903 912282671 /nfs/dbraw/zinc/28/26/71/912282671.db2.gz RTNWTGXGNLNIQT-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001323372475 912300013 /nfs/dbraw/zinc/30/00/13/912300013.db2.gz XZCPQJFCLZQJTN-UKRRQHHQSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001323372475 912300026 /nfs/dbraw/zinc/30/00/26/912300026.db2.gz XZCPQJFCLZQJTN-UKRRQHHQSA-N 1 2 291.395 0.457 20 30 CCEDLO N#CCCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001324738249 913008766 /nfs/dbraw/zinc/00/87/66/913008766.db2.gz UJZFQLOKPDZYCQ-UHFFFAOYSA-N 1 2 280.372 0.480 20 30 CCEDLO N#CCCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001324738249 913008784 /nfs/dbraw/zinc/00/87/84/913008784.db2.gz UJZFQLOKPDZYCQ-UHFFFAOYSA-N 1 2 280.372 0.480 20 30 CCEDLO N#CCN1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325055198 913174103 /nfs/dbraw/zinc/17/41/03/913174103.db2.gz SCRUVIBIDNVODU-SNVBAGLBSA-N 1 2 297.309 0.549 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC001325205752 913281251 /nfs/dbraw/zinc/28/12/51/913281251.db2.gz HEEWEZAARUMRCO-LLVKDONJSA-N 1 2 295.339 0.422 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC001325205752 913281265 /nfs/dbraw/zinc/28/12/65/913281265.db2.gz HEEWEZAARUMRCO-LLVKDONJSA-N 1 2 295.339 0.422 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001480862663 891407613 /nfs/dbraw/zinc/40/76/13/891407613.db2.gz YXPWEFXKOLLTBE-UHFFFAOYSA-N 1 2 281.400 0.610 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001480862663 891407615 /nfs/dbraw/zinc/40/76/15/891407615.db2.gz YXPWEFXKOLLTBE-UHFFFAOYSA-N 1 2 281.400 0.610 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001283136196 891651233 /nfs/dbraw/zinc/65/12/33/891651233.db2.gz UHQUUGXMNAPURP-MNOVXSKESA-N 1 2 292.383 0.951 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C=C ZINC001480900000 891717759 /nfs/dbraw/zinc/71/77/59/891717759.db2.gz WKGLLGGJTSDPCO-UHFFFAOYSA-N 1 2 267.373 0.549 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C=C ZINC001480900000 891717765 /nfs/dbraw/zinc/71/77/65/891717765.db2.gz WKGLLGGJTSDPCO-UHFFFAOYSA-N 1 2 267.373 0.549 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2occc2C)C1 ZINC001325818022 913587957 /nfs/dbraw/zinc/58/79/57/913587957.db2.gz LCRXMYQPSBSYFN-HNNXBMFYSA-N 1 2 276.336 0.778 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2occc2C)C1 ZINC001325818022 913587972 /nfs/dbraw/zinc/58/79/72/913587972.db2.gz LCRXMYQPSBSYFN-HNNXBMFYSA-N 1 2 276.336 0.778 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccn1CC ZINC001480947537 891924409 /nfs/dbraw/zinc/92/44/09/891924409.db2.gz YTTYKROYSGCPNL-UHFFFAOYSA-N 1 2 292.383 0.472 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccn1CC ZINC001480947537 891924423 /nfs/dbraw/zinc/92/44/23/891924423.db2.gz YTTYKROYSGCPNL-UHFFFAOYSA-N 1 2 292.383 0.472 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001283606967 891945828 /nfs/dbraw/zinc/94/58/28/891945828.db2.gz YFOCGYNKXKCSAT-MFKMUULPSA-N 1 2 298.412 0.802 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001420646581 892440256 /nfs/dbraw/zinc/44/02/56/892440256.db2.gz ZGPSUBIOVVBCIQ-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001420646581 892440259 /nfs/dbraw/zinc/44/02/59/892440259.db2.gz ZGPSUBIOVVBCIQ-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OCC ZINC001481666883 892987157 /nfs/dbraw/zinc/98/71/57/892987157.db2.gz XSIZKJUKSXKIDP-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OCC ZINC001481666883 892987167 /nfs/dbraw/zinc/98/71/67/892987167.db2.gz XSIZKJUKSXKIDP-RWMBFGLXSA-N 1 2 250.342 0.720 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481688036 893007493 /nfs/dbraw/zinc/00/74/93/893007493.db2.gz BUVXTBYPCVSKNW-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481688036 893007513 /nfs/dbraw/zinc/00/75/13/893007513.db2.gz BUVXTBYPCVSKNW-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC(C)=O)C1 ZINC001481713021 893067350 /nfs/dbraw/zinc/06/73/50/893067350.db2.gz KABCCHWCUSKQJM-HNNXBMFYSA-N 1 2 294.395 0.928 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CCCC(C)=O)C1 ZINC001481713021 893067371 /nfs/dbraw/zinc/06/73/71/893067371.db2.gz KABCCHWCUSKQJM-HNNXBMFYSA-N 1 2 294.395 0.928 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001482184956 893474962 /nfs/dbraw/zinc/47/49/62/893474962.db2.gz OUWXGAVNCKPFJW-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001482184956 893474973 /nfs/dbraw/zinc/47/49/73/893474973.db2.gz OUWXGAVNCKPFJW-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CCC)OC)C1 ZINC001482194151 893496962 /nfs/dbraw/zinc/49/69/62/893496962.db2.gz AXUQCNKIWGWODM-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CCC)OC)C1 ZINC001482194151 893496967 /nfs/dbraw/zinc/49/69/67/893496967.db2.gz AXUQCNKIWGWODM-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO CN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001396204370 913834373 /nfs/dbraw/zinc/83/43/73/913834373.db2.gz GYZOXHJTPJAADQ-UHFFFAOYSA-N 1 2 284.323 0.402 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001482586928 894295082 /nfs/dbraw/zinc/29/50/82/894295082.db2.gz SSFOAJYEUIVBBI-LLVKDONJSA-N 1 2 263.345 0.470 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001482586928 894295102 /nfs/dbraw/zinc/29/51/02/894295102.db2.gz SSFOAJYEUIVBBI-LLVKDONJSA-N 1 2 263.345 0.470 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001482586908 894297213 /nfs/dbraw/zinc/29/72/13/894297213.db2.gz SIJVCCVARURGJF-LLVKDONJSA-N 1 2 263.345 0.470 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001482586908 894297230 /nfs/dbraw/zinc/29/72/30/894297230.db2.gz SIJVCCVARURGJF-LLVKDONJSA-N 1 2 263.345 0.470 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001482620875 894425315 /nfs/dbraw/zinc/42/53/15/894425315.db2.gz WKPRBIVKKGNCIO-UHFFFAOYSA-N 1 2 291.399 0.899 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001482620875 894425328 /nfs/dbraw/zinc/42/53/28/894425328.db2.gz WKPRBIVKKGNCIO-UHFFFAOYSA-N 1 2 291.399 0.899 20 30 CCEDLO C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)c1ncn[nH]1 ZINC001483275938 895407177 /nfs/dbraw/zinc/40/71/77/895407177.db2.gz GWPMITNOTUBYIJ-JTQLQIEISA-N 1 2 284.323 0.584 20 30 CCEDLO C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)c1nc[nH]n1 ZINC001483275938 895407182 /nfs/dbraw/zinc/40/71/82/895407182.db2.gz GWPMITNOTUBYIJ-JTQLQIEISA-N 1 2 284.323 0.584 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)CCC1 ZINC001326540430 914007474 /nfs/dbraw/zinc/00/74/74/914007474.db2.gz XWJPGDGOLFNVNP-UHFFFAOYSA-N 1 2 287.323 0.103 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)CCC1 ZINC001326540430 914007490 /nfs/dbraw/zinc/00/74/90/914007490.db2.gz XWJPGDGOLFNVNP-UHFFFAOYSA-N 1 2 287.323 0.103 20 30 CCEDLO N#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001483743472 895975432 /nfs/dbraw/zinc/97/54/32/895975432.db2.gz WIXGOKPTBQXBJP-NXEZZACHSA-N 1 2 259.313 0.275 20 30 CCEDLO N#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001483743472 895975446 /nfs/dbraw/zinc/97/54/46/895975446.db2.gz WIXGOKPTBQXBJP-NXEZZACHSA-N 1 2 259.313 0.275 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001483758908 896016943 /nfs/dbraw/zinc/01/69/43/896016943.db2.gz QESQZIUNSXIGBT-UHFFFAOYSA-N 1 2 277.372 0.766 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001483764199 896029418 /nfs/dbraw/zinc/02/94/18/896029418.db2.gz GKTGHXOJQIIOET-CYBMUJFWSA-N 1 2 292.387 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@@H](O)C1 ZINC001083760735 896038757 /nfs/dbraw/zinc/03/87/57/896038757.db2.gz IFOZSPXLLQWOEZ-XFMPKHEZSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@@H](O)C1 ZINC001083760735 896038770 /nfs/dbraw/zinc/03/87/70/896038770.db2.gz IFOZSPXLLQWOEZ-XFMPKHEZSA-N 1 2 262.353 0.361 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001483861842 896087216 /nfs/dbraw/zinc/08/72/16/896087216.db2.gz WLZRSCBZOHAYIF-NSHDSACASA-N 1 2 274.311 0.987 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2c(F)cccc2F)C1 ZINC001484306883 896327352 /nfs/dbraw/zinc/32/73/52/896327352.db2.gz CPYIMJUGYHKPLR-UHFFFAOYSA-N 1 2 294.301 0.765 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NCC#N)CCC1 ZINC001484652424 896522217 /nfs/dbraw/zinc/52/22/17/896522217.db2.gz CGBFLPIFKFWZKS-VXGBXAGGSA-N 1 2 287.367 0.676 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CO[C@@H](C)CC)CO2 ZINC001484796255 896608368 /nfs/dbraw/zinc/60/83/68/896608368.db2.gz TVJMXBIVIRYDSZ-UONOGXRCSA-N 1 2 294.395 0.784 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)OC)CC2)C1 ZINC001484941896 896678241 /nfs/dbraw/zinc/67/82/41/896678241.db2.gz MOWWWXGTHFKRQM-CQSZACIVSA-N 1 2 293.411 0.263 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001485416285 897046789 /nfs/dbraw/zinc/04/67/89/897046789.db2.gz BNGHXNBAFQQQKF-KBPBESRZSA-N 1 2 296.411 0.788 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001485531405 897110471 /nfs/dbraw/zinc/11/04/71/897110471.db2.gz YNTQLUYEQOSVOA-SNVBAGLBSA-N 1 2 298.778 0.252 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCOC)C2)C1 ZINC001485554362 897115392 /nfs/dbraw/zinc/11/53/92/897115392.db2.gz RVJUXYXOQGQIRC-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCOC)C2)C1 ZINC001485554362 897115400 /nfs/dbraw/zinc/11/54/00/897115400.db2.gz RVJUXYXOQGQIRC-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366604998 897284076 /nfs/dbraw/zinc/28/40/76/897284076.db2.gz ACXDWFGYRQCLNB-VIFPVBQESA-N 1 2 275.736 0.285 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366604998 897284091 /nfs/dbraw/zinc/28/40/91/897284091.db2.gz ACXDWFGYRQCLNB-VIFPVBQESA-N 1 2 275.736 0.285 20 30 CCEDLO C#CCCCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001299228207 897297758 /nfs/dbraw/zinc/29/77/58/897297758.db2.gz QSUSLDYVXCDQDD-UHFFFAOYSA-N 1 2 288.351 0.521 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001077741440 897387029 /nfs/dbraw/zinc/38/70/29/897387029.db2.gz GQGHSAVSOSRRLQ-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001077741440 897387043 /nfs/dbraw/zinc/38/70/43/897387043.db2.gz GQGHSAVSOSRRLQ-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107889788 897442916 /nfs/dbraw/zinc/44/29/16/897442916.db2.gz DIMKQCFIIAYDKL-INIZCTEOSA-N 1 2 292.379 0.564 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107889788 897442929 /nfs/dbraw/zinc/44/29/29/897442929.db2.gz DIMKQCFIIAYDKL-INIZCTEOSA-N 1 2 292.379 0.564 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001032404755 897465618 /nfs/dbraw/zinc/46/56/18/897465618.db2.gz WRVWAIYHUYKFFI-IHRRRGAJSA-N 1 2 284.363 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001032404755 897465625 /nfs/dbraw/zinc/46/56/25/897465625.db2.gz WRVWAIYHUYKFFI-IHRRRGAJSA-N 1 2 284.363 0.748 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCC2 ZINC001032435846 897559344 /nfs/dbraw/zinc/55/93/44/897559344.db2.gz HLKGOLAKNXTECC-STQMWFEESA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCC2 ZINC001032435846 897559356 /nfs/dbraw/zinc/55/93/56/897559356.db2.gz HLKGOLAKNXTECC-STQMWFEESA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001032465287 897601808 /nfs/dbraw/zinc/60/18/08/897601808.db2.gz WHPLUBYVIVUKLI-RYUDHWBXSA-N 1 2 298.346 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001032465287 897601820 /nfs/dbraw/zinc/60/18/20/897601820.db2.gz WHPLUBYVIVUKLI-RYUDHWBXSA-N 1 2 298.346 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001077805802 897607187 /nfs/dbraw/zinc/60/71/87/897607187.db2.gz NPUCCFYWOSYRJP-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001077805802 897607196 /nfs/dbraw/zinc/60/71/96/897607196.db2.gz NPUCCFYWOSYRJP-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO CC#CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001326791615 914177160 /nfs/dbraw/zinc/17/71/60/914177160.db2.gz ZASCTYRCQQYHPA-LLVKDONJSA-N 1 2 261.325 0.181 20 30 CCEDLO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522792 897697027 /nfs/dbraw/zinc/69/70/27/897697027.db2.gz ROUYESZJNANVNH-STQMWFEESA-N 1 2 260.341 0.663 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccn2c1 ZINC001032521323 897698353 /nfs/dbraw/zinc/69/83/53/897698353.db2.gz GFCKIYAQPZSJFI-STQMWFEESA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2nccn2c1 ZINC001032521323 897698360 /nfs/dbraw/zinc/69/83/60/897698360.db2.gz GFCKIYAQPZSJFI-STQMWFEESA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001032532038 897712897 /nfs/dbraw/zinc/71/28/97/897712897.db2.gz RPNKMWSZWDZGLA-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001032532038 897712907 /nfs/dbraw/zinc/71/29/07/897712907.db2.gz RPNKMWSZWDZGLA-FQUUOJAGSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C#C)c1 ZINC001032617712 897835103 /nfs/dbraw/zinc/83/51/03/897835103.db2.gz OGZKXLVRSZJGKM-GJZGRUSLSA-N 1 2 265.316 0.595 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C#C)c1 ZINC001032617712 897835116 /nfs/dbraw/zinc/83/51/16/897835116.db2.gz OGZKXLVRSZJGKM-GJZGRUSLSA-N 1 2 265.316 0.595 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032636210 897864394 /nfs/dbraw/zinc/86/43/94/897864394.db2.gz ZSCBKYFOGQKXAJ-WUHRBBMRSA-N 1 2 285.351 0.332 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCCC3)C1 ZINC001043024535 897874950 /nfs/dbraw/zinc/87/49/50/897874950.db2.gz QPQJSBRKISHOHU-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001077838698 897975924 /nfs/dbraw/zinc/97/59/24/897975924.db2.gz JHIVHRWBSRTBPC-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001077838698 897975932 /nfs/dbraw/zinc/97/59/32/897975932.db2.gz JHIVHRWBSRTBPC-ZIAGYGMSSA-N 1 2 288.347 0.412 20 30 CCEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC#N)c1c[nH+]c[nH]1 ZINC001032733358 898030056 /nfs/dbraw/zinc/03/00/56/898030056.db2.gz RVRKHEWANOESQW-QWRGUYRKSA-N 1 2 273.340 0.496 20 30 CCEDLO C[C@H](CCNCC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272874218 898101688 /nfs/dbraw/zinc/10/16/88/898101688.db2.gz SHNUUKVYLZLNEB-VXGBXAGGSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nnn(C)c2c1 ZINC001032755811 898103820 /nfs/dbraw/zinc/10/38/20/898103820.db2.gz NOVUKJOIXFYCSH-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nnn(C)c2c1 ZINC001032755811 898103826 /nfs/dbraw/zinc/10/38/26/898103826.db2.gz NOVUKJOIXFYCSH-STQMWFEESA-N 1 2 295.346 0.500 20 30 CCEDLO C=CCN1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001272910127 898159239 /nfs/dbraw/zinc/15/92/39/898159239.db2.gz XZICYYGWVFDHTI-AWEZNQCLSA-N 1 2 292.383 0.666 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001078035573 898196960 /nfs/dbraw/zinc/19/69/60/898196960.db2.gz HGDAMXDDIQNZCU-ZJIFWQFVSA-N 1 2 284.359 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001078035573 898196970 /nfs/dbraw/zinc/19/69/70/898196970.db2.gz HGDAMXDDIQNZCU-ZJIFWQFVSA-N 1 2 284.359 0.585 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001078070086 898215738 /nfs/dbraw/zinc/21/57/38/898215738.db2.gz RZQFCVIPDFZIEA-CHWSQXEVSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001078070086 898215746 /nfs/dbraw/zinc/21/57/46/898215746.db2.gz RZQFCVIPDFZIEA-CHWSQXEVSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001032793512 898282471 /nfs/dbraw/zinc/28/24/71/898282471.db2.gz DFIMCYSCHSMMPI-STQMWFEESA-N 1 2 285.347 0.936 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001032793512 898282483 /nfs/dbraw/zinc/28/24/83/898282483.db2.gz DFIMCYSCHSMMPI-STQMWFEESA-N 1 2 285.347 0.936 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001078215497 898300598 /nfs/dbraw/zinc/30/05/98/898300598.db2.gz XDNOOLHVGJFJFO-FMKPAKJESA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001078215497 898300608 /nfs/dbraw/zinc/30/06/08/898300608.db2.gz XDNOOLHVGJFJFO-FMKPAKJESA-N 1 2 276.380 0.917 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001485991181 898579097 /nfs/dbraw/zinc/57/90/97/898579097.db2.gz ONAHQIRKPHFKNM-GWCFXTLKSA-N 1 2 299.396 0.037 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337219 898804914 /nfs/dbraw/zinc/80/49/14/898804914.db2.gz ICCVPTSIUQXQJB-IUCAKERBSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486337219 898804924 /nfs/dbraw/zinc/80/49/24/898804924.db2.gz ICCVPTSIUQXQJB-IUCAKERBSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486337219 898804933 /nfs/dbraw/zinc/80/49/33/898804933.db2.gz ICCVPTSIUQXQJB-IUCAKERBSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337219 898804903 /nfs/dbraw/zinc/80/49/03/898804903.db2.gz ICCVPTSIUQXQJB-IUCAKERBSA-N 1 2 284.253 0.271 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001410926852 899629899 /nfs/dbraw/zinc/62/98/99/899629899.db2.gz PENAFMZUTJKJTI-NSHDSACASA-N 1 2 289.339 0.102 20 30 CCEDLO COC[C@@H](C)[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490492299 900640561 /nfs/dbraw/zinc/64/05/61/900640561.db2.gz FSWMTPBHMDUBTK-KGLIPLIRSA-N 1 2 296.415 0.162 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001490550947 900654105 /nfs/dbraw/zinc/65/41/05/900654105.db2.gz RXWWXGMSVXPAEX-TYNCELHUSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001490550947 900654112 /nfs/dbraw/zinc/65/41/12/900654112.db2.gz RXWWXGMSVXPAEX-TYNCELHUSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@@H](C(=O)N[C@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC001318098874 900814605 /nfs/dbraw/zinc/81/46/05/900814605.db2.gz SKAPPTPHJBPGQO-ONGXEEELSA-N 1 2 250.327 0.960 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)OC)CO2 ZINC001327380923 902151448 /nfs/dbraw/zinc/15/14/48/902151448.db2.gz WWGQYPNAYWSHSN-QWHCGFSZSA-N 1 2 280.368 0.394 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001490878428 902223655 /nfs/dbraw/zinc/22/36/55/902223655.db2.gz KDCITOKDXJSUBS-LSJOCFKGSA-N 1 2 289.339 0.843 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001413051320 902588595 /nfs/dbraw/zinc/58/85/95/902588595.db2.gz VCCPRQNLUWQBHO-UHFFFAOYSA-N 1 2 283.339 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001038688682 902651904 /nfs/dbraw/zinc/65/19/04/902651904.db2.gz XJAUSUAUAXFBNT-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001038688682 902651907 /nfs/dbraw/zinc/65/19/07/902651907.db2.gz XJAUSUAUAXFBNT-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001491202607 903443828 /nfs/dbraw/zinc/44/38/28/903443828.db2.gz YVXUSQJECTXZCB-QWHCGFSZSA-N 1 2 297.399 0.424 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001491202607 903443833 /nfs/dbraw/zinc/44/38/33/903443833.db2.gz YVXUSQJECTXZCB-QWHCGFSZSA-N 1 2 297.399 0.424 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001491442141 903600064 /nfs/dbraw/zinc/60/00/64/903600064.db2.gz QOXOQXMVALJKEL-SNVBAGLBSA-N 1 2 266.370 0.936 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](OC)C(C)C)CO2 ZINC001280969594 904185087 /nfs/dbraw/zinc/18/50/87/904185087.db2.gz QRTSZNGRGCFRCN-KGLIPLIRSA-N 1 2 294.395 0.640 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCCC)C1 ZINC001282690303 904518809 /nfs/dbraw/zinc/51/88/09/904518809.db2.gz RJALCHYGVHYHDA-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001282724224 904529537 /nfs/dbraw/zinc/52/95/37/904529537.db2.gz DRQRLHZXDKIJGO-JTQLQIEISA-N 1 2 286.397 0.044 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001377248988 904722471 /nfs/dbraw/zinc/72/24/71/904722471.db2.gz VVZOKNHABPAWKP-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001377248988 904722481 /nfs/dbraw/zinc/72/24/81/904722481.db2.gz VVZOKNHABPAWKP-UHFFFAOYSA-N 1 2 283.759 0.799 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1 ZINC001283608925 904927142 /nfs/dbraw/zinc/92/71/42/904927142.db2.gz VVUAGILSNAAOCI-LLVKDONJSA-N 1 2 296.396 0.515 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001284341464 905252716 /nfs/dbraw/zinc/25/27/16/905252716.db2.gz COQJEGWAPGFZTB-LLVKDONJSA-N 1 2 276.340 0.377 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)N(C)CC2CC2)C1 ZINC001377960820 905279775 /nfs/dbraw/zinc/27/97/75/905279775.db2.gz OJONPXAOUAEVIF-NSHDSACASA-N 1 2 292.383 0.062 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001378061508 905398274 /nfs/dbraw/zinc/39/82/74/905398274.db2.gz GPFBNDFITWPILT-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001378061508 905398290 /nfs/dbraw/zinc/39/82/90/905398290.db2.gz GPFBNDFITWPILT-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001284926726 905490834 /nfs/dbraw/zinc/49/08/34/905490834.db2.gz MDQLHCMEWMIIJD-UHFFFAOYSA-N 1 2 276.340 0.566 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001378245417 905530414 /nfs/dbraw/zinc/53/04/14/905530414.db2.gz AKYKKJGRWIUOSO-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001378245417 905530425 /nfs/dbraw/zinc/53/04/25/905530425.db2.gz AKYKKJGRWIUOSO-LLVKDONJSA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285739352 905749527 /nfs/dbraw/zinc/74/95/27/905749527.db2.gz PMGAQRAOZSHPON-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=CCCC(=O)NC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001285945112 905816798 /nfs/dbraw/zinc/81/67/98/905816798.db2.gz UQJBDUXKWUANBS-UHFFFAOYSA-N 1 2 290.367 0.694 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001379377645 906202053 /nfs/dbraw/zinc/20/20/53/906202053.db2.gz ZNQDOOCFSWRMEL-GXSJLCMTSA-N 1 2 292.339 0.278 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001295574625 906764429 /nfs/dbraw/zinc/76/44/29/906764429.db2.gz MLUFGJZUAVUIBD-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001381592197 907312306 /nfs/dbraw/zinc/31/23/06/907312306.db2.gz VKHNGIABEWICMR-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001381592197 907312322 /nfs/dbraw/zinc/31/23/22/907312322.db2.gz VKHNGIABEWICMR-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001381592200 907318124 /nfs/dbraw/zinc/31/81/24/907318124.db2.gz VKHNGIABEWICMR-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001381592200 907318141 /nfs/dbraw/zinc/31/81/41/907318141.db2.gz VKHNGIABEWICMR-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCCCN1CC#N ZINC001317171823 907402798 /nfs/dbraw/zinc/40/27/98/907402798.db2.gz BOSYOAVTXVULGY-CYBMUJFWSA-N 1 2 289.383 0.847 20 30 CCEDLO Cc1nc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)co1 ZINC001382449295 907743548 /nfs/dbraw/zinc/74/35/48/907743548.db2.gz GXVPAOWOOWLUCH-GWCFXTLKSA-N 1 2 294.355 0.394 20 30 CCEDLO Cc1nc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)co1 ZINC001382449295 907743565 /nfs/dbraw/zinc/74/35/65/907743565.db2.gz GXVPAOWOOWLUCH-GWCFXTLKSA-N 1 2 294.355 0.394 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](F)C(C)C ZINC001317456776 908250185 /nfs/dbraw/zinc/25/01/85/908250185.db2.gz OBUMPWOUZKEVKE-GFCCVEGCSA-N 1 2 273.352 0.331 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](F)C(C)C ZINC001317456776 908250193 /nfs/dbraw/zinc/25/01/93/908250193.db2.gz OBUMPWOUZKEVKE-GFCCVEGCSA-N 1 2 273.352 0.331 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001386025566 908577872 /nfs/dbraw/zinc/57/78/72/908577872.db2.gz ASNKRBSCNMKSDV-INTQDDNPSA-N 1 2 289.339 0.184 20 30 CCEDLO CCC(CC)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316961653 908864185 /nfs/dbraw/zinc/86/41/85/908864185.db2.gz CWNJVOFKHILVCL-UHFFFAOYSA-N 1 2 266.389 0.680 20 30 CCEDLO N#CCNC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317332194 909146257 /nfs/dbraw/zinc/14/62/57/909146257.db2.gz UTVVVCOLQHWQHY-LBPRGKRZSA-N 1 2 261.329 0.235 20 30 CCEDLO C[N@H+](CCNC(=O)c1ccc(F)cc1)CC(=O)NCC#N ZINC001317439922 909201592 /nfs/dbraw/zinc/20/15/92/909201592.db2.gz YQQGCDGDOVPSCS-UHFFFAOYSA-N 1 2 292.314 0.127 20 30 CCEDLO C[N@@H+](CCNC(=O)c1ccc(F)cc1)CC(=O)NCC#N ZINC001317439922 909201602 /nfs/dbraw/zinc/20/16/02/909201602.db2.gz YQQGCDGDOVPSCS-UHFFFAOYSA-N 1 2 292.314 0.127 20 30 CCEDLO CC(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)=C1CCCC1 ZINC001317445214 909215614 /nfs/dbraw/zinc/21/56/14/909215614.db2.gz XQKMEXKDRKXVGH-UHFFFAOYSA-N 1 2 292.383 0.565 20 30 CCEDLO CC(C(=O)NCC[N@H+](C)CC(=O)NCC#N)=C1CCCC1 ZINC001317445214 909215629 /nfs/dbraw/zinc/21/56/29/909215629.db2.gz XQKMEXKDRKXVGH-UHFFFAOYSA-N 1 2 292.383 0.565 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001317507574 909276647 /nfs/dbraw/zinc/27/66/47/909276647.db2.gz CKRIAVLWFBUCJF-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001317507574 909276666 /nfs/dbraw/zinc/27/66/66/909276666.db2.gz CKRIAVLWFBUCJF-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001317740145 909479794 /nfs/dbraw/zinc/47/97/94/909479794.db2.gz VGBZCAQRHHXUAX-OKILXGFUSA-N 1 2 291.395 0.731 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001317740145 909479803 /nfs/dbraw/zinc/47/98/03/909479803.db2.gz VGBZCAQRHHXUAX-OKILXGFUSA-N 1 2 291.395 0.731 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001317818508 909507996 /nfs/dbraw/zinc/50/79/96/909507996.db2.gz CPRHUGDEHMAKCN-HUUCEWRRSA-N 1 2 295.427 0.673 20 30 CCEDLO CCOCCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317814247 909508983 /nfs/dbraw/zinc/50/89/83/909508983.db2.gz UGKWEEANLVPSJJ-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCCOC)C1 ZINC001317925788 909542296 /nfs/dbraw/zinc/54/22/96/909542296.db2.gz PULBZAFCPGUPQA-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCCOC)C1 ZINC001317925788 909542305 /nfs/dbraw/zinc/54/23/05/909542305.db2.gz PULBZAFCPGUPQA-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001317926809 909543420 /nfs/dbraw/zinc/54/34/20/909543420.db2.gz SSZVJWDCRFYFPA-YQJFHSMKSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001317926809 909543436 /nfs/dbraw/zinc/54/34/36/909543436.db2.gz SSZVJWDCRFYFPA-YQJFHSMKSA-N 1 2 277.368 0.283 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCOCC)c2)C1 ZINC001318074895 909610961 /nfs/dbraw/zinc/61/09/61/909610961.db2.gz UDJLFNVFFZJYGH-UHFFFAOYSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCCCC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001318118271 909632565 /nfs/dbraw/zinc/63/25/65/909632565.db2.gz SQJYXTPHMISTQT-UHFFFAOYSA-N 1 2 274.368 0.772 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)OC)CC1 ZINC001318143316 909638932 /nfs/dbraw/zinc/63/89/32/909638932.db2.gz KUNZWLBWQWBSSF-UHFFFAOYSA-N 1 2 295.383 0.961 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001318143316 909638944 /nfs/dbraw/zinc/63/89/44/909638944.db2.gz KUNZWLBWQWBSSF-UHFFFAOYSA-N 1 2 295.383 0.961 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001318140723 909638982 /nfs/dbraw/zinc/63/89/82/909638982.db2.gz WLTKTXMLFNKGLM-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001318453255 909765441 /nfs/dbraw/zinc/76/54/41/909765441.db2.gz KJRDIHUCYMVMDJ-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001318453255 909765446 /nfs/dbraw/zinc/76/54/46/909765446.db2.gz KJRDIHUCYMVMDJ-JTQLQIEISA-N 1 2 289.326 0.477 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318568595 909820738 /nfs/dbraw/zinc/82/07/38/909820738.db2.gz AXYHFXMAWRLTGX-SMDDNHRTSA-N 1 2 294.403 0.797 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001319310946 910091923 /nfs/dbraw/zinc/09/19/23/910091923.db2.gz RZMRPQADKGILIV-NWDGAFQWSA-N 1 2 256.346 0.006 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001319310946 910091943 /nfs/dbraw/zinc/09/19/43/910091943.db2.gz RZMRPQADKGILIV-NWDGAFQWSA-N 1 2 256.346 0.006 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1C[N@H+](CC(=C)C)CCO1 ZINC001319332143 910100697 /nfs/dbraw/zinc/10/06/97/910100697.db2.gz LBGQAEGRPJRAEQ-CQSZACIVSA-N 1 2 282.384 0.972 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001319332143 910100702 /nfs/dbraw/zinc/10/07/02/910100702.db2.gz LBGQAEGRPJRAEQ-CQSZACIVSA-N 1 2 282.384 0.972 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C#CC2CC2)o1 ZINC001319455385 910157267 /nfs/dbraw/zinc/15/72/67/910157267.db2.gz RRQMNOYTNMMPSO-LLVKDONJSA-N 1 2 290.367 0.982 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC001319946875 910366782 /nfs/dbraw/zinc/36/67/82/910366782.db2.gz XNTZZIKDWXJAOJ-UHFFFAOYSA-N 1 2 250.346 0.172 20 30 CCEDLO CCN(CC[NH2+]Cc1cnsn1)C(=O)CSCC#N ZINC001320682300 910795889 /nfs/dbraw/zinc/79/58/89/910795889.db2.gz DWJCBCWRABVVMQ-UHFFFAOYSA-N 1 2 299.425 0.733 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001391020575 910815684 /nfs/dbraw/zinc/81/56/84/910815684.db2.gz GGLGEGRSOKERHE-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001391020575 910815693 /nfs/dbraw/zinc/81/56/93/910815693.db2.gz GGLGEGRSOKERHE-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001391080382 910857493 /nfs/dbraw/zinc/85/74/93/910857493.db2.gz WGJXMRDKFVBIEZ-MWLCHTKSSA-N 1 2 276.344 0.211 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001391080382 910857506 /nfs/dbraw/zinc/85/75/06/910857506.db2.gz WGJXMRDKFVBIEZ-MWLCHTKSSA-N 1 2 276.344 0.211 20 30 CCEDLO N#CCCCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001321648862 911422642 /nfs/dbraw/zinc/42/26/42/911422642.db2.gz TYYQMEIPFXHYLP-UHFFFAOYSA-N 1 2 289.339 0.420 20 30 CCEDLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001392550129 911923592 /nfs/dbraw/zinc/92/35/92/911923592.db2.gz DEWKJRBRAXOKOV-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001322778822 911948192 /nfs/dbraw/zinc/94/81/92/911948192.db2.gz GYMBQFPSEJNNHS-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001322778822 911948200 /nfs/dbraw/zinc/94/82/00/911948200.db2.gz GYMBQFPSEJNNHS-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1nncc(N)c1Cl ZINC001322999115 912063173 /nfs/dbraw/zinc/06/31/73/912063173.db2.gz IXHLHBIDQJVQIU-UHFFFAOYSA-N 1 2 251.681 0.892 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001323215758 912188707 /nfs/dbraw/zinc/18/87/07/912188707.db2.gz ZUUHSGKBJDYYTD-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001323215758 912188715 /nfs/dbraw/zinc/18/87/15/912188715.db2.gz ZUUHSGKBJDYYTD-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCF ZINC001328732362 915393540 /nfs/dbraw/zinc/39/35/40/915393540.db2.gz DMPNUJDCDBZJQW-GJZGRUSLSA-N 1 2 295.402 0.976 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCF ZINC001328732362 915393560 /nfs/dbraw/zinc/39/35/60/915393560.db2.gz DMPNUJDCDBZJQW-GJZGRUSLSA-N 1 2 295.402 0.976 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCF ZINC001328732362 915393589 /nfs/dbraw/zinc/39/35/89/915393589.db2.gz DMPNUJDCDBZJQW-GJZGRUSLSA-N 1 2 295.402 0.976 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001400504859 915787175 /nfs/dbraw/zinc/78/71/75/915787175.db2.gz PRNLBIQMLWPHOT-GFCCVEGCSA-N 1 2 299.802 0.655 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001417072409 916008091 /nfs/dbraw/zinc/00/80/91/916008091.db2.gz ARRPMKPCTYPCEU-MWLCHTKSSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001329682769 916123798 /nfs/dbraw/zinc/12/37/98/916123798.db2.gz VSCJMXZXOGQDBE-AWEZNQCLSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001329982324 916332814 /nfs/dbraw/zinc/33/28/14/916332814.db2.gz CSXOPRFSIILBGO-LBPRGKRZSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)C(C)(C)C1 ZINC001330220233 916486219 /nfs/dbraw/zinc/48/62/19/916486219.db2.gz GMHMUAKBACSTCP-NWDGAFQWSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)C(C)(C)C1 ZINC001330220233 916486225 /nfs/dbraw/zinc/48/62/25/916486225.db2.gz GMHMUAKBACSTCP-NWDGAFQWSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001330342435 916565976 /nfs/dbraw/zinc/56/59/76/916565976.db2.gz DWZZIWYLOYDHEX-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001330342435 916565989 /nfs/dbraw/zinc/56/59/89/916565989.db2.gz DWZZIWYLOYDHEX-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C#CC[N@H+](C)CCOCCNC(=O)c1[nH]nc2c1CCC2 ZINC001331132020 917114177 /nfs/dbraw/zinc/11/41/77/917114177.db2.gz JTZRULXSSFNTPJ-UHFFFAOYSA-N 1 2 290.367 0.210 20 30 CCEDLO C#CC[N@@H+](C)CCOCCNC(=O)c1[nH]nc2c1CCC2 ZINC001331132020 917114188 /nfs/dbraw/zinc/11/41/88/917114188.db2.gz JTZRULXSSFNTPJ-UHFFFAOYSA-N 1 2 290.367 0.210 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1nccc(C)n1 ZINC001331705436 917532280 /nfs/dbraw/zinc/53/22/80/917532280.db2.gz HPJFHRWSORQANA-CYBMUJFWSA-N 1 2 290.367 0.155 20 30 CCEDLO CN1CCC(=[NH+]NC2=NCC(=O)N2)c2ccccc21 ZINC001331723501 917550056 /nfs/dbraw/zinc/55/00/56/917550056.db2.gz UFXXXSFBEIYHMH-UHFFFAOYSA-N 1 2 257.297 0.306 20 30 CCEDLO COc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)on1 ZINC001403297148 917638138 /nfs/dbraw/zinc/63/81/38/917638138.db2.gz MLHXAHMAGBNSLU-UWVGGRQHSA-N 1 2 292.339 0.779 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC001332010782 917799240 /nfs/dbraw/zinc/79/92/40/917799240.db2.gz DTUHOVGWGPFSJM-NEPJUHHUSA-N 1 2 298.383 0.754 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001403795300 918014105 /nfs/dbraw/zinc/01/41/05/918014105.db2.gz QVFJRRKZOLTXPS-MPKXVKKWSA-N 1 2 289.339 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001403795300 918014121 /nfs/dbraw/zinc/01/41/21/918014121.db2.gz QVFJRRKZOLTXPS-MPKXVKKWSA-N 1 2 289.339 0.842 20 30 CCEDLO N#CC1(Cn2cc(C[NH+]3CCC(O)CC3)nn2)CC1 ZINC001334366022 919528467 /nfs/dbraw/zinc/52/84/67/919528467.db2.gz WXGQFYGCMSFZKV-UHFFFAOYSA-N 1 2 261.329 0.539 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)OC)CC1 ZINC001408248123 920111748 /nfs/dbraw/zinc/11/17/48/920111748.db2.gz BVTKZGAENQBLCB-LLVKDONJSA-N 1 2 290.791 0.717 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCn3cccn3)CC2)[nH]1 ZINC001415115426 920599524 /nfs/dbraw/zinc/59/95/24/920599524.db2.gz NUQRITAVPSZEFL-UHFFFAOYSA-N 1 2 298.350 0.541 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001416939429 921069984 /nfs/dbraw/zinc/06/99/84/921069984.db2.gz HQRFKHSPKLWQQN-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)SC)n2C)CC1 ZINC001339783150 921828345 /nfs/dbraw/zinc/82/83/45/921828345.db2.gz ARAUNGZLJMMHOP-LLVKDONJSA-N 1 2 279.413 0.994 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001418463458 922149861 /nfs/dbraw/zinc/14/98/61/922149861.db2.gz SQASJXWUHZUTKJ-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001418463458 922149867 /nfs/dbraw/zinc/14/98/67/922149867.db2.gz SQASJXWUHZUTKJ-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001419134873 922651943 /nfs/dbraw/zinc/65/19/43/922651943.db2.gz LEPRWSFSXRZYNV-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001419134873 922651953 /nfs/dbraw/zinc/65/19/53/922651953.db2.gz LEPRWSFSXRZYNV-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cnon1 ZINC001419712703 923022360 /nfs/dbraw/zinc/02/23/60/923022360.db2.gz MUCKSICWTNZRMS-QMMMGPOBSA-N 1 2 274.284 0.177 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cc(C)cn1 ZINC001420181173 923377482 /nfs/dbraw/zinc/37/74/82/923377482.db2.gz KRAYZBFYUWQHLC-UHFFFAOYSA-N 1 2 270.764 0.992 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cc(C)cn1 ZINC001420181173 923377496 /nfs/dbraw/zinc/37/74/96/923377496.db2.gz KRAYZBFYUWQHLC-UHFFFAOYSA-N 1 2 270.764 0.992 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001420350212 923567966 /nfs/dbraw/zinc/56/79/66/923567966.db2.gz IHZGKEDNSILYGC-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001420350212 923567974 /nfs/dbraw/zinc/56/79/74/923567974.db2.gz IHZGKEDNSILYGC-UHFFFAOYSA-N 1 2 296.758 0.595 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001420564528 923786380 /nfs/dbraw/zinc/78/63/80/923786380.db2.gz DDCHBPVRQUTWJT-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001420564528 923786392 /nfs/dbraw/zinc/78/63/92/923786392.db2.gz DDCHBPVRQUTWJT-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347187359 924393099 /nfs/dbraw/zinc/39/30/99/924393099.db2.gz QTILFIFMXUKHAQ-GJZGRUSLSA-N 1 2 290.411 0.289 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001347187359 924393105 /nfs/dbraw/zinc/39/31/05/924393105.db2.gz QTILFIFMXUKHAQ-GJZGRUSLSA-N 1 2 290.411 0.289 20 30 CCEDLO C[C@H](CNC(=O)NCCCC#N)[NH+]1CCN(C)CC1 ZINC001349652512 925015845 /nfs/dbraw/zinc/01/58/45/925015845.db2.gz KKBROWJYQVJYTP-GFCCVEGCSA-N 1 2 267.377 0.225 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CC1(C)C ZINC001349854441 925079696 /nfs/dbraw/zinc/07/96/96/925079696.db2.gz SBMNVFAIWYTIJO-IINYFYTJSA-N 1 2 268.357 0.985 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CCOC)no2)nn1 ZINC001352982934 925688957 /nfs/dbraw/zinc/68/89/57/925688957.db2.gz HCKXDFVWFPXPHK-UHFFFAOYSA-N 1 2 290.327 0.011 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1csnn1 ZINC001480459587 925777631 /nfs/dbraw/zinc/77/76/31/925777631.db2.gz OBFDNVJMACNDSJ-SECBINFHSA-N 1 2 264.354 0.546 20 30 CCEDLO CC(C)C#CC(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001356758610 926434534 /nfs/dbraw/zinc/43/45/34/926434534.db2.gz UGNQTNIKYRESBW-UHFFFAOYSA-N 1 2 288.351 0.260 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)nn1C ZINC001421304597 926664554 /nfs/dbraw/zinc/66/45/54/926664554.db2.gz HVCZYJGQIAVEJR-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)nn1C ZINC001421304597 926664561 /nfs/dbraw/zinc/66/45/61/926664561.db2.gz HVCZYJGQIAVEJR-RISCZKNCSA-N 1 2 289.383 0.921 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC001421773055 926904755 /nfs/dbraw/zinc/90/47/55/926904755.db2.gz CKMQPHFYOIHQOJ-JSGCOSHPSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC001421773055 926904761 /nfs/dbraw/zinc/90/47/61/926904761.db2.gz CKMQPHFYOIHQOJ-JSGCOSHPSA-N 1 2 295.383 0.532 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001422551515 927364180 /nfs/dbraw/zinc/36/41/80/927364180.db2.gz LXJYIPNFZACPFB-QWRGUYRKSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001422551515 927364189 /nfs/dbraw/zinc/36/41/89/927364189.db2.gz LXJYIPNFZACPFB-QWRGUYRKSA-N 1 2 287.791 0.796 20 30 CCEDLO CCn1c[nH+]cc1CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001423440269 927857654 /nfs/dbraw/zinc/85/76/54/927857654.db2.gz RAWQKPLNSJYQNI-AAEUAGOBSA-N 1 2 294.380 0.273 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC001362743081 928433994 /nfs/dbraw/zinc/43/39/94/928433994.db2.gz VJIMCOMYVAMVSO-LBPRGKRZSA-N 1 2 270.296 0.396 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001425322208 928511940 /nfs/dbraw/zinc/51/19/40/928511940.db2.gz KWKSVJDJCAULDH-HKWIRBFKSA-N 1 2 275.312 0.023 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001425322208 928511942 /nfs/dbraw/zinc/51/19/42/928511942.db2.gz KWKSVJDJCAULDH-HKWIRBFKSA-N 1 2 275.312 0.023 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1 ZINC001444337345 929844641 /nfs/dbraw/zinc/84/46/41/929844641.db2.gz ITVAOPDISCONAJ-UHFFFAOYSA-N 1 2 273.336 0.998 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1 ZINC001444337345 929844653 /nfs/dbraw/zinc/84/46/53/929844653.db2.gz ITVAOPDISCONAJ-UHFFFAOYSA-N 1 2 273.336 0.998 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001374549179 930553341 /nfs/dbraw/zinc/55/33/41/930553341.db2.gz KOTTTXWVTKAPAW-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001376126253 931060017 /nfs/dbraw/zinc/06/00/17/931060017.db2.gz PKMBVCOQZYHMBE-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001376126253 931060025 /nfs/dbraw/zinc/06/00/25/931060025.db2.gz PKMBVCOQZYHMBE-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376376021 931137070 /nfs/dbraw/zinc/13/70/70/931137070.db2.gz PPVBJBNDRQGMKD-SNVBAGLBSA-N 1 2 277.328 0.029 20 30 CCEDLO COCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001377105449 931382643 /nfs/dbraw/zinc/38/26/43/931382643.db2.gz CBJGDZDFDJMKJF-UHFFFAOYSA-N 1 2 279.315 0.892 20 30 CCEDLO COCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001377105449 931382648 /nfs/dbraw/zinc/38/26/48/931382648.db2.gz CBJGDZDFDJMKJF-UHFFFAOYSA-N 1 2 279.315 0.892 20 30 CCEDLO C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cn1 ZINC000328203991 971454626 /nfs/dbraw/zinc/45/46/26/971454626.db2.gz UJGQGXUROLDTMW-UHFFFAOYSA-N 1 2 261.325 0.825 20 30 CCEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cn1 ZINC000328203991 971454635 /nfs/dbraw/zinc/45/46/35/971454635.db2.gz UJGQGXUROLDTMW-UHFFFAOYSA-N 1 2 261.325 0.825 20 30 CCEDLO COC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694838 361791310 /nfs/dbraw/zinc/79/13/10/361791310.db2.gz WMNGYTHWLNIBJP-GXTWGEPZSA-N 1 2 283.372 0.484 20 30 CCEDLO COC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694838 361791314 /nfs/dbraw/zinc/79/13/14/361791314.db2.gz WMNGYTHWLNIBJP-GXTWGEPZSA-N 1 2 283.372 0.484 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600235351 361899647 /nfs/dbraw/zinc/89/96/47/361899647.db2.gz YFSSBXKQNOVTPN-IUODEOHRSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600235351 361899653 /nfs/dbraw/zinc/89/96/53/361899653.db2.gz YFSSBXKQNOVTPN-IUODEOHRSA-N 1 2 295.383 0.268 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600417732 361955534 /nfs/dbraw/zinc/95/55/34/361955534.db2.gz AMLNQCKXSBQFJY-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600417732 361955541 /nfs/dbraw/zinc/95/55/41/361955541.db2.gz AMLNQCKXSBQFJY-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000353236785 529487958 /nfs/dbraw/zinc/48/79/58/529487958.db2.gz UNIGJNLUFIWWMV-AWEZNQCLSA-N 1 2 290.371 0.362 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000103149297 349691755 /nfs/dbraw/zinc/69/17/55/349691755.db2.gz CPWXBTSNDBAAIY-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000103149297 349691758 /nfs/dbraw/zinc/69/17/58/349691758.db2.gz CPWXBTSNDBAAIY-AWEZNQCLSA-N 1 2 290.319 0.811 20 30 CCEDLO C=CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000617616373 365691722 /nfs/dbraw/zinc/69/17/22/365691722.db2.gz VCVCMSZSLVTXBO-UHFFFAOYSA-N 1 2 274.368 0.896 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000126421807 187238071 /nfs/dbraw/zinc/23/80/71/187238071.db2.gz LIFKMQFEEATJSK-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO N#Cc1cccc(NCC(=O)NCCn2cc[nH+]c2)c1 ZINC000152844708 290671724 /nfs/dbraw/zinc/67/17/24/290671724.db2.gz WLSDTYXEMPFCIH-UHFFFAOYSA-N 1 2 269.308 0.983 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601041062 362139027 /nfs/dbraw/zinc/13/90/27/362139027.db2.gz CSRJWWFEGUSZJB-LBPRGKRZSA-N 1 2 277.368 0.907 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601041062 362139031 /nfs/dbraw/zinc/13/90/31/362139031.db2.gz CSRJWWFEGUSZJB-LBPRGKRZSA-N 1 2 277.368 0.907 20 30 CCEDLO N#Cc1cc(NCCn2cc[nH+]c2)nc(C2CC2)n1 ZINC000601099910 362149303 /nfs/dbraw/zinc/14/93/03/362149303.db2.gz BRQKJFSKSBLTOG-UHFFFAOYSA-N 1 2 254.297 0.956 20 30 CCEDLO CNC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425244995 529889184 /nfs/dbraw/zinc/88/91/84/529889184.db2.gz SYBUZSPKVQMIQN-LLVKDONJSA-N 1 2 259.313 0.769 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCO1 ZINC000329128143 529910124 /nfs/dbraw/zinc/91/01/24/529910124.db2.gz VGMXCFBYVPDNFQ-ZDUSSCGKSA-N 1 2 285.388 0.734 20 30 CCEDLO C[NH+](C)CCOc1ccccc1C(=O)N=c1[nH][nH]cc1C#N ZINC000601641499 362337638 /nfs/dbraw/zinc/33/76/38/362337638.db2.gz RFTLMSITRGHKAO-UHFFFAOYSA-N 1 2 299.334 0.896 20 30 CCEDLO CC[C@@H]1[C@@H](C(=O)N=c2[nH][nH]c(C)c2C#N)CC[N@@H+]1C ZINC000601680606 362352441 /nfs/dbraw/zinc/35/24/41/362352441.db2.gz SZCIMBGNDBLUSS-GXSJLCMTSA-N 1 2 261.329 0.681 20 30 CCEDLO CC[C@@H]1[C@@H](C(=O)N=c2[nH][nH]c(C)c2C#N)CC[N@H+]1C ZINC000601680606 362352448 /nfs/dbraw/zinc/35/24/48/362352448.db2.gz SZCIMBGNDBLUSS-GXSJLCMTSA-N 1 2 261.329 0.681 20 30 CCEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccc(C#N)cc1 ZINC000601741470 362375454 /nfs/dbraw/zinc/37/54/54/362375454.db2.gz WEWIYWQVHRGSEC-AWEZNQCLSA-N 1 2 273.336 0.961 20 30 CCEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(C#N)cc1 ZINC000601741470 362375455 /nfs/dbraw/zinc/37/54/55/362375455.db2.gz WEWIYWQVHRGSEC-AWEZNQCLSA-N 1 2 273.336 0.961 20 30 CCEDLO C=C(C)C[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OC ZINC000601783558 362391154 /nfs/dbraw/zinc/39/11/54/362391154.db2.gz AHQPOBHSQVXEQV-VIFPVBQESA-N 1 2 251.286 0.956 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888117 362417176 /nfs/dbraw/zinc/41/71/76/362417176.db2.gz RDGCVQAGJVGKPU-CYBMUJFWSA-N 1 2 287.367 0.713 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888119 362417366 /nfs/dbraw/zinc/41/73/66/362417366.db2.gz RDGCVQAGJVGKPU-ZDUSSCGKSA-N 1 2 287.367 0.713 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602029823 362463652 /nfs/dbraw/zinc/46/36/52/362463652.db2.gz YQAKDTYTJRXKBO-STQMWFEESA-N 1 2 298.339 0.599 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCO1 ZINC000602097940 362485751 /nfs/dbraw/zinc/48/57/51/362485751.db2.gz REZIAHFWQYUVGP-GFCCVEGCSA-N 1 2 298.302 0.942 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCOCC1)C1CC1 ZINC000363436608 260258529 /nfs/dbraw/zinc/25/85/29/260258529.db2.gz NIKCOFAYHQHRFE-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NC2CC2)C[C@H](C)N1CC#N ZINC000602855605 362841853 /nfs/dbraw/zinc/84/18/53/362841853.db2.gz HRIVIJJXANBRCZ-QWRGUYRKSA-N 1 2 250.346 0.183 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858273 362843428 /nfs/dbraw/zinc/84/34/28/362843428.db2.gz QUPAPHMCVKSFOF-OKILXGFUSA-N 1 2 291.399 0.667 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858273 362843431 /nfs/dbraw/zinc/84/34/31/362843431.db2.gz QUPAPHMCVKSFOF-OKILXGFUSA-N 1 2 291.399 0.667 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@@H](C)N1CC#N ZINC000602856914 362844007 /nfs/dbraw/zinc/84/40/07/362844007.db2.gz MTLLTGOBSABPNH-CHWSQXEVSA-N 1 2 290.367 0.814 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860788 362845373 /nfs/dbraw/zinc/84/53/73/362845373.db2.gz HXZKCGVKJRXEIZ-WPRPVWTQSA-N 1 2 279.296 0.405 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860788 362845377 /nfs/dbraw/zinc/84/53/77/362845377.db2.gz HXZKCGVKJRXEIZ-WPRPVWTQSA-N 1 2 279.296 0.405 20 30 CCEDLO CC(C)NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863877 362848578 /nfs/dbraw/zinc/84/85/78/362848578.db2.gz NSEHKKRXUVJPIN-RYUDHWBXSA-N 1 2 252.362 0.429 20 30 CCEDLO N#Cc1ncn(CCNc2cc[nH+]c3ccncc23)n1 ZINC000343512870 137139642 /nfs/dbraw/zinc/13/96/42/137139642.db2.gz ZKUPBHLIILRVKK-UHFFFAOYSA-N 1 2 265.280 0.627 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2c[nH+]ccc2OC)c1 ZINC000343815114 137159265 /nfs/dbraw/zinc/15/92/65/137159265.db2.gz WCIMWYKQPMUOSG-UHFFFAOYSA-N 1 2 299.286 0.958 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000602866228 362849935 /nfs/dbraw/zinc/84/99/35/362849935.db2.gz ZDWDYBJUDUJXAF-ZCFIWIBFSA-N 1 2 266.223 0.266 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258567 348084908 /nfs/dbraw/zinc/08/49/08/348084908.db2.gz KWMLXBBOBXOGFJ-UHFFFAOYSA-N 1 2 296.374 0.425 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602975066 362917759 /nfs/dbraw/zinc/91/77/59/362917759.db2.gz YGALKHLZYFMFLB-GXSJLCMTSA-N 1 2 264.329 0.599 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602975066 362917765 /nfs/dbraw/zinc/91/77/65/362917765.db2.gz YGALKHLZYFMFLB-GXSJLCMTSA-N 1 2 264.329 0.599 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000048610194 348418894 /nfs/dbraw/zinc/41/88/94/348418894.db2.gz XUCHCZQIILPNMV-UHFFFAOYSA-N 1 2 280.372 0.397 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000048610194 348418898 /nfs/dbraw/zinc/41/88/98/348418898.db2.gz XUCHCZQIILPNMV-UHFFFAOYSA-N 1 2 280.372 0.397 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@@H](C)C#N ZINC000049982259 348462864 /nfs/dbraw/zinc/46/28/64/348462864.db2.gz AGESAVFJXVMHRU-NSHDSACASA-N 1 2 268.361 0.950 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@@H](C)C#N ZINC000049982259 348462866 /nfs/dbraw/zinc/46/28/66/348462866.db2.gz AGESAVFJXVMHRU-NSHDSACASA-N 1 2 268.361 0.950 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000066316307 348739150 /nfs/dbraw/zinc/73/91/50/348739150.db2.gz UUILKZNIEWZFRA-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000066102155 348733750 /nfs/dbraw/zinc/73/37/50/348733750.db2.gz HRNGTVPIVINIIR-UHFFFAOYSA-N 1 2 296.396 0.058 20 30 CCEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC000066495586 348745487 /nfs/dbraw/zinc/74/54/87/348745487.db2.gz GQSQTWYCCCMKNE-JTQLQIEISA-N 1 2 263.301 0.197 20 30 CCEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC000066495586 348745492 /nfs/dbraw/zinc/74/54/92/348745492.db2.gz GQSQTWYCCCMKNE-JTQLQIEISA-N 1 2 263.301 0.197 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000066917493 348761130 /nfs/dbraw/zinc/76/11/30/348761130.db2.gz YUTUQRMHFCUQQZ-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603004136 362933227 /nfs/dbraw/zinc/93/32/27/362933227.db2.gz KYDPQCUJBWRLEG-WCQYABFASA-N 1 2 257.330 0.577 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603004136 362933232 /nfs/dbraw/zinc/93/32/32/362933232.db2.gz KYDPQCUJBWRLEG-WCQYABFASA-N 1 2 257.330 0.577 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000074773803 349005623 /nfs/dbraw/zinc/00/56/23/349005623.db2.gz QRBNRYIFLRVPJQ-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000074773803 349005626 /nfs/dbraw/zinc/00/56/26/349005626.db2.gz QRBNRYIFLRVPJQ-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO C#CC[NH+](CC#C)CCS(=O)(=O)Oc1ccccc1 ZINC000076185307 349072875 /nfs/dbraw/zinc/07/28/75/349072875.db2.gz AFGFAOQDPODCLX-UHFFFAOYSA-N 1 2 277.345 0.964 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000076780967 349091734 /nfs/dbraw/zinc/09/17/34/349091734.db2.gz QKCIBNXRKDQWOJ-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000076780967 349091737 /nfs/dbraw/zinc/09/17/37/349091737.db2.gz QKCIBNXRKDQWOJ-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CCc1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000081158301 349248371 /nfs/dbraw/zinc/24/83/71/349248371.db2.gz PDSCKSUCIJMOJS-UHFFFAOYSA-N 1 2 293.371 0.680 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1C[N@H+](C)CCO1 ZINC000125998345 350135929 /nfs/dbraw/zinc/13/59/29/350135929.db2.gz SHGDPCZOKNXANX-RYUDHWBXSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000125998345 350135931 /nfs/dbraw/zinc/13/59/31/350135931.db2.gz SHGDPCZOKNXANX-RYUDHWBXSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000104692626 186015628 /nfs/dbraw/zinc/01/56/28/186015628.db2.gz NWLCFMAIHYHQIQ-VIFPVBQESA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000104692626 186015630 /nfs/dbraw/zinc/01/56/30/186015630.db2.gz NWLCFMAIHYHQIQ-VIFPVBQESA-N 1 2 292.364 0.769 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091753005 180246151 /nfs/dbraw/zinc/24/61/51/180246151.db2.gz OWPPXSSSWUBBHD-CYBMUJFWSA-N 1 2 286.335 0.646 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091753005 180246153 /nfs/dbraw/zinc/24/61/53/180246153.db2.gz OWPPXSSSWUBBHD-CYBMUJFWSA-N 1 2 286.335 0.646 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000133145458 350326917 /nfs/dbraw/zinc/32/69/17/350326917.db2.gz LOEDTJIOJIAAIJ-JTQLQIEISA-N 1 2 291.311 0.994 20 30 CCEDLO N#Cc1cccc(NC(=O)C[NH2+]C2(C(N)=O)CC2)c1 ZINC000152429023 350527633 /nfs/dbraw/zinc/52/76/33/350527633.db2.gz RHDMIRSMLZRHSK-UHFFFAOYSA-N 1 2 258.281 0.104 20 30 CCEDLO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)C[C@H](CO)O1 ZINC000163117002 350760543 /nfs/dbraw/zinc/76/05/43/350760543.db2.gz USFDTUCRPCVPTE-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)C[C@H](CO)O1 ZINC000163117002 350760545 /nfs/dbraw/zinc/76/05/45/350760545.db2.gz USFDTUCRPCVPTE-CYBMUJFWSA-N 1 2 261.325 0.925 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000162463233 350744040 /nfs/dbraw/zinc/74/40/40/350744040.db2.gz HPUOCGAGHDVBKU-GFCCVEGCSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1CO ZINC000168133430 350821086 /nfs/dbraw/zinc/82/10/86/350821086.db2.gz VOHFXXUUBCVOOT-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1CO ZINC000168133430 350821089 /nfs/dbraw/zinc/82/10/89/350821089.db2.gz VOHFXXUUBCVOOT-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCOCCCC ZINC000174527950 351090337 /nfs/dbraw/zinc/09/03/37/351090337.db2.gz XOPWPXNTELIWDP-UHFFFAOYSA-N 1 2 250.342 0.488 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175884053 351147478 /nfs/dbraw/zinc/14/74/78/351147478.db2.gz JBHTYEJGIUVHLY-LBPRGKRZSA-N 1 2 280.372 0.120 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175884053 351147482 /nfs/dbraw/zinc/14/74/82/351147482.db2.gz JBHTYEJGIUVHLY-LBPRGKRZSA-N 1 2 280.372 0.120 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603238087 363017344 /nfs/dbraw/zinc/01/73/44/363017344.db2.gz QOJWPEMNXQAFHL-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603238087 363017349 /nfs/dbraw/zinc/01/73/49/363017349.db2.gz QOJWPEMNXQAFHL-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CSC)nn1 ZINC000603260623 363030114 /nfs/dbraw/zinc/03/01/14/363030114.db2.gz PAGMEZLWPXQDDF-LLVKDONJSA-N 1 2 254.359 0.115 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000186847371 351518163 /nfs/dbraw/zinc/51/81/63/351518163.db2.gz VUZUIOOHZRCIFV-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000193141522 351813879 /nfs/dbraw/zinc/81/38/79/351813879.db2.gz OEMJDIXDWJQHCG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000193141522 351813881 /nfs/dbraw/zinc/81/38/81/351813881.db2.gz OEMJDIXDWJQHCG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1ccc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)[nH]1 ZINC000231028733 352125751 /nfs/dbraw/zinc/12/57/51/352125751.db2.gz PKZWJVAMSFZUGD-LLVKDONJSA-N 1 2 270.296 0.609 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)cc1Cl ZINC000236581009 352199156 /nfs/dbraw/zinc/19/91/56/352199156.db2.gz FIHYHMNBCOQFLZ-RYUDHWBXSA-N 1 2 295.726 0.188 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000236592321 352200180 /nfs/dbraw/zinc/20/01/80/352200180.db2.gz GZRYKZPWIIEYOX-RYUDHWBXSA-N 1 2 252.701 0.749 20 30 CCEDLO N#CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000242502042 352307027 /nfs/dbraw/zinc/30/70/27/352307027.db2.gz BUMOAFRACGKBBR-UHFFFAOYSA-N 1 2 259.313 0.827 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245707683 352335449 /nfs/dbraw/zinc/33/54/49/352335449.db2.gz DPTCRGMAGSBSFL-NEPJUHHUSA-N 1 2 287.354 0.786 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245707683 352335451 /nfs/dbraw/zinc/33/54/51/352335451.db2.gz DPTCRGMAGSBSFL-NEPJUHHUSA-N 1 2 287.354 0.786 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249032280 352473535 /nfs/dbraw/zinc/47/35/35/352473535.db2.gz SQKUGJOVYUKEFT-OCCSQVGLSA-N 1 2 281.356 0.238 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249032280 352473536 /nfs/dbraw/zinc/47/35/36/352473536.db2.gz SQKUGJOVYUKEFT-OCCSQVGLSA-N 1 2 281.356 0.238 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000266946490 352734547 /nfs/dbraw/zinc/73/45/47/352734547.db2.gz SQKAWTGCALISEQ-UHFFFAOYSA-N 1 2 290.323 0.004 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000266946490 352734549 /nfs/dbraw/zinc/73/45/49/352734549.db2.gz SQKAWTGCALISEQ-UHFFFAOYSA-N 1 2 290.323 0.004 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC=C)CC1 ZINC000267254852 352754118 /nfs/dbraw/zinc/75/41/18/352754118.db2.gz ZTLVUMBPZNCCKJ-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC=C)CC1 ZINC000267254852 352754124 /nfs/dbraw/zinc/75/41/24/352754124.db2.gz ZTLVUMBPZNCCKJ-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000269951674 352888238 /nfs/dbraw/zinc/88/82/38/352888238.db2.gz JFWICKZQQBYYAY-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc[nH]n3)CC2)c1 ZINC000271055244 353018300 /nfs/dbraw/zinc/01/83/00/353018300.db2.gz ZEQABIVPPVZNKT-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C#CCC(CC#C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000277629534 353255472 /nfs/dbraw/zinc/25/54/72/353255472.db2.gz JFNKENFKIUMYRH-CQSZACIVSA-N 1 2 275.396 0.401 20 30 CCEDLO COCCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290423205 353726097 /nfs/dbraw/zinc/72/60/97/353726097.db2.gz UUBCXWQBFJRNGU-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO COCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290423205 353726103 /nfs/dbraw/zinc/72/61/03/353726103.db2.gz UUBCXWQBFJRNGU-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#CCO ZINC000294140827 353872629 /nfs/dbraw/zinc/87/26/29/353872629.db2.gz AKJHJNLFJUKWMI-UHFFFAOYSA-N 1 2 293.273 0.735 20 30 CCEDLO C=CCOCC[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000294206078 353879009 /nfs/dbraw/zinc/87/90/09/353879009.db2.gz RPTAKAVTKHRFDT-GFCCVEGCSA-N 1 2 266.345 0.869 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000294206078 353879011 /nfs/dbraw/zinc/87/90/11/353879011.db2.gz RPTAKAVTKHRFDT-GFCCVEGCSA-N 1 2 266.345 0.869 20 30 CCEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000296169374 353934809 /nfs/dbraw/zinc/93/48/09/353934809.db2.gz ZKBIRXFBKFAUNT-UHFFFAOYSA-N 1 2 250.302 0.295 20 30 CCEDLO C#CC(C)(C)[N@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000296169374 353934812 /nfs/dbraw/zinc/93/48/12/353934812.db2.gz ZKBIRXFBKFAUNT-UHFFFAOYSA-N 1 2 250.302 0.295 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189181 353936197 /nfs/dbraw/zinc/93/61/97/353936197.db2.gz MDQPZQUMOSDSQD-ZWNOBZJWSA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189181 353936200 /nfs/dbraw/zinc/93/62/00/353936200.db2.gz MDQPZQUMOSDSQD-ZWNOBZJWSA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@H](Nc1nccnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000301203608 354072051 /nfs/dbraw/zinc/07/20/51/354072051.db2.gz QOQUEKCLXSLOJP-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C#CC[NH+](CC#C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000304337532 354113698 /nfs/dbraw/zinc/11/36/98/354113698.db2.gz XKUREBSFYVQMCS-KKUMJFAQSA-N 1 2 264.369 0.025 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330346319 283022580 /nfs/dbraw/zinc/02/25/80/283022580.db2.gz GJNUAMZLUWUTND-CHWSQXEVSA-N 1 2 297.399 0.610 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330346319 283022582 /nfs/dbraw/zinc/02/25/82/283022582.db2.gz GJNUAMZLUWUTND-CHWSQXEVSA-N 1 2 297.399 0.610 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1F ZINC000333907535 354814632 /nfs/dbraw/zinc/81/46/32/354814632.db2.gz VTJIGSFQEYGHKS-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1F ZINC000333907535 354814635 /nfs/dbraw/zinc/81/46/35/354814635.db2.gz VTJIGSFQEYGHKS-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C[C@H](C(=O)NCCCNc1cccc[nH+]1)n1cnc(C#N)n1 ZINC000337020605 355249154 /nfs/dbraw/zinc/24/91/54/355249154.db2.gz QPOIELAVAPJYBH-LLVKDONJSA-N 1 2 299.338 0.724 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)NC1(C#N)CCC1 ZINC000346828260 283099244 /nfs/dbraw/zinc/09/92/44/283099244.db2.gz PIKJOYXUFXLYDJ-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)NC1(C#N)CCC1 ZINC000346828260 283099248 /nfs/dbraw/zinc/09/92/48/283099248.db2.gz PIKJOYXUFXLYDJ-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cnc(C#N)cn1 ZINC000286321156 291067816 /nfs/dbraw/zinc/06/78/16/291067816.db2.gz KXQRRCBOYCMHEP-WCQYABFASA-N 1 2 273.340 0.648 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000362051488 138043915 /nfs/dbraw/zinc/04/39/15/138043915.db2.gz DHQMKGDFGQTIOG-ZDUSSCGKSA-N 1 2 257.341 0.673 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484563 363499353 /nfs/dbraw/zinc/49/93/53/363499353.db2.gz ADVZXYNISGFQIM-CYBMUJFWSA-N 1 2 264.373 0.454 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000609539238 363503650 /nfs/dbraw/zinc/50/36/50/363503650.db2.gz WESZBIMKBFAVGS-CYBMUJFWSA-N 1 2 292.383 0.301 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000560754231 291112609 /nfs/dbraw/zinc/11/26/09/291112609.db2.gz PVWSUSIOLVHFGO-UHFFFAOYSA-N 1 2 282.303 0.833 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000619712635 366331211 /nfs/dbraw/zinc/33/12/11/366331211.db2.gz PWEDITQAIRVKTQ-LBPRGKRZSA-N 1 2 288.417 0.493 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000619712635 366331219 /nfs/dbraw/zinc/33/12/19/366331219.db2.gz PWEDITQAIRVKTQ-LBPRGKRZSA-N 1 2 288.417 0.493 20 30 CCEDLO CN(CC[NH+]1CCOCC1)Cc1nc(C#N)cs1 ZINC000356195437 356720624 /nfs/dbraw/zinc/72/06/24/356720624.db2.gz QNNPMYSPCZENBQ-UHFFFAOYSA-N 1 2 266.370 0.779 20 30 CCEDLO C[N@H+](CCN1CCOCC1)Cc1nc(C#N)cs1 ZINC000356195437 356720627 /nfs/dbraw/zinc/72/06/27/356720627.db2.gz QNNPMYSPCZENBQ-UHFFFAOYSA-N 1 2 266.370 0.779 20 30 CCEDLO C[N@@H+](CCN1CCOCC1)Cc1nc(C#N)cs1 ZINC000356195437 356720632 /nfs/dbraw/zinc/72/06/32/356720632.db2.gz QNNPMYSPCZENBQ-UHFFFAOYSA-N 1 2 266.370 0.779 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882596 366366968 /nfs/dbraw/zinc/36/69/68/366366968.db2.gz IABXEKYWVKYGNO-HNNXBMFYSA-N 1 2 282.384 0.494 20 30 CCEDLO C=C[C@H](O)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882663 366368155 /nfs/dbraw/zinc/36/81/55/366368155.db2.gz KUFUQOTZBPHVPM-ZDUSSCGKSA-N 1 2 268.357 0.104 20 30 CCEDLO COc1cc(C#N)ccc1OCC(=O)NCc1c[nH+]c[nH]1 ZINC000359701431 356873701 /nfs/dbraw/zinc/87/37/01/356873701.db2.gz UQIOBXFUDVGWGW-UHFFFAOYSA-N 1 2 286.291 0.985 20 30 CCEDLO COc1cc(C#N)ccc1OCC(=O)NCc1c[nH]c[nH+]1 ZINC000359701431 356873704 /nfs/dbraw/zinc/87/37/04/356873704.db2.gz UQIOBXFUDVGWGW-UHFFFAOYSA-N 1 2 286.291 0.985 20 30 CCEDLO C=CCN1CC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000368117089 357323606 /nfs/dbraw/zinc/32/36/06/357323606.db2.gz WMNUPLKCWMKBFC-VIFPVBQESA-N 1 2 260.297 0.717 20 30 CCEDLO C=CCN1CC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000368117089 357323611 /nfs/dbraw/zinc/32/36/11/357323611.db2.gz WMNUPLKCWMKBFC-VIFPVBQESA-N 1 2 260.297 0.717 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(CCC)C(=O)C2)C1=O ZINC000374071931 357394430 /nfs/dbraw/zinc/39/44/30/357394430.db2.gz LDPAIWGVFVYHOC-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(CCC)C(=O)C2)C1=O ZINC000374071931 357394435 /nfs/dbraw/zinc/39/44/35/357394435.db2.gz LDPAIWGVFVYHOC-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000374679696 357401512 /nfs/dbraw/zinc/40/15/12/357401512.db2.gz NXKVHPMPEOZYBX-UHFFFAOYSA-N 1 2 277.328 0.019 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116279 357924997 /nfs/dbraw/zinc/92/49/97/357924997.db2.gz VLJVKYKSKZONHX-UWVGGRQHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116279 357925001 /nfs/dbraw/zinc/92/50/01/357925001.db2.gz VLJVKYKSKZONHX-UWVGGRQHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1C ZINC000408084357 357911219 /nfs/dbraw/zinc/91/12/19/357911219.db2.gz OUXZZYNXZIXQIV-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1C ZINC000408084357 357911221 /nfs/dbraw/zinc/91/12/21/357911221.db2.gz OUXZZYNXZIXQIV-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377694 358061790 /nfs/dbraw/zinc/06/17/90/358061790.db2.gz YTJQIYLKHYGBGC-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377694 358061793 /nfs/dbraw/zinc/06/17/93/358061793.db2.gz YTJQIYLKHYGBGC-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CC(C)(C)C[NH+]=c1[nH]c2c(c(=O)[nH]c(=O)n2C)n1C ZINC000450723764 358257855 /nfs/dbraw/zinc/25/78/55/358257855.db2.gz KDMFHKGWMRKNSO-UHFFFAOYSA-N 1 2 277.328 0.419 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2nc(C(C)C)no2)CC1 ZINC000490780647 358291463 /nfs/dbraw/zinc/29/14/63/358291463.db2.gz NMANWFDNUZVELD-UHFFFAOYSA-N 1 2 292.339 0.349 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000491661241 358296123 /nfs/dbraw/zinc/29/61/23/358296123.db2.gz FNPZHWSDPFYFRW-CYBMUJFWSA-N 1 2 258.321 0.671 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000491661241 358296124 /nfs/dbraw/zinc/29/61/24/358296124.db2.gz FNPZHWSDPFYFRW-CYBMUJFWSA-N 1 2 258.321 0.671 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491710064 358296805 /nfs/dbraw/zinc/29/68/05/358296805.db2.gz RUCAONDDIOPQTN-CHWSQXEVSA-N 1 2 269.366 0.801 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491710064 358296809 /nfs/dbraw/zinc/29/68/09/358296809.db2.gz RUCAONDDIOPQTN-CHWSQXEVSA-N 1 2 269.366 0.801 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-n2cccn2)n1 ZINC000564872834 358559192 /nfs/dbraw/zinc/55/91/92/358559192.db2.gz SLXJGRBOJKREOB-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nc1 ZINC000569375017 358760060 /nfs/dbraw/zinc/76/00/60/358760060.db2.gz ARIHUQGBDIPCQC-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nc1 ZINC000569375017 358760064 /nfs/dbraw/zinc/76/00/64/358760064.db2.gz ARIHUQGBDIPCQC-CQSZACIVSA-N 1 2 285.351 0.989 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCC2)nc1 ZINC000572291093 358928712 /nfs/dbraw/zinc/92/87/12/358928712.db2.gz AICCOJXHDAHLLW-HNNXBMFYSA-N 1 2 287.367 0.865 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000585703160 359264904 /nfs/dbraw/zinc/26/49/04/359264904.db2.gz FDKGGNROEQZOJF-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(C#N)cc(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000585706951 359266513 /nfs/dbraw/zinc/26/65/13/359266513.db2.gz HQVIVTDWOLFZSG-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)C(=O)OC ZINC000588978481 359355836 /nfs/dbraw/zinc/35/58/36/359355836.db2.gz VLOOABJNEYPQGI-ZOBORPQBSA-N 1 2 280.368 0.951 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000611083638 363655983 /nfs/dbraw/zinc/65/59/83/363655983.db2.gz QOTGYOASOMHDAG-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000611083638 363655988 /nfs/dbraw/zinc/65/59/88/363655988.db2.gz QOTGYOASOMHDAG-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000611101188 363658744 /nfs/dbraw/zinc/65/87/44/363658744.db2.gz QIBHCPBHNFHSIV-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO N#CCN1CCC(Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000591146531 359562219 /nfs/dbraw/zinc/56/22/19/359562219.db2.gz IGSHEMFWLABCEJ-UHFFFAOYSA-N 1 2 274.328 0.681 20 30 CCEDLO N#CCN1CCC(Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000591146531 359562224 /nfs/dbraw/zinc/56/22/24/359562224.db2.gz IGSHEMFWLABCEJ-UHFFFAOYSA-N 1 2 274.328 0.681 20 30 CCEDLO C=C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)C(=O)OC ZINC000591495687 359598406 /nfs/dbraw/zinc/59/84/06/359598406.db2.gz BALHWYFKLNCVLM-GMTAPVOTSA-N 1 2 254.330 0.595 20 30 CCEDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)cn1 ZINC000591817544 359661893 /nfs/dbraw/zinc/66/18/93/359661893.db2.gz UIPVHCPZFXLKAZ-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1ncc2c(c1C#N)CCC2 ZINC000591819455 359662412 /nfs/dbraw/zinc/66/24/12/359662412.db2.gz FHKQUIMCXILDSK-LBPRGKRZSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1ncc2c(c1C#N)CCC2 ZINC000591819455 359662415 /nfs/dbraw/zinc/66/24/15/359662415.db2.gz FHKQUIMCXILDSK-LBPRGKRZSA-N 1 2 286.379 0.996 20 30 CCEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000591845633 359665028 /nfs/dbraw/zinc/66/50/28/359665028.db2.gz CXNMDSFDAPUYAC-ZDUSSCGKSA-N 1 2 278.400 0.917 20 30 CCEDLO N#Cc1cncnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000591924446 359702514 /nfs/dbraw/zinc/70/25/14/359702514.db2.gz KENLSPOSUGBTRL-GFCCVEGCSA-N 1 2 259.313 0.259 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592150890 359769374 /nfs/dbraw/zinc/76/93/74/359769374.db2.gz JEASHGAVXXZFTH-MRXNPFEDSA-N 1 2 298.346 0.525 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592150890 359769380 /nfs/dbraw/zinc/76/93/80/359769380.db2.gz JEASHGAVXXZFTH-MRXNPFEDSA-N 1 2 298.346 0.525 20 30 CCEDLO COc1ccc2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)[nH]c2n1 ZINC000592151742 359769980 /nfs/dbraw/zinc/76/99/80/359769980.db2.gz PKUPZRQXTHYCSJ-CQSZACIVSA-N 1 2 287.323 0.817 20 30 CCEDLO COc1ccc2nc(C[N@H+]3CC[C@](O)(CC#N)C3)[nH]c2n1 ZINC000592151742 359769984 /nfs/dbraw/zinc/76/99/84/359769984.db2.gz PKUPZRQXTHYCSJ-CQSZACIVSA-N 1 2 287.323 0.817 20 30 CCEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152133 359770126 /nfs/dbraw/zinc/77/01/26/359770126.db2.gz UKUXAILWQIETCO-LBPRGKRZSA-N 1 2 274.386 0.550 20 30 CCEDLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152133 359770131 /nfs/dbraw/zinc/77/01/31/359770131.db2.gz UKUXAILWQIETCO-LBPRGKRZSA-N 1 2 274.386 0.550 20 30 CCEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174192 363670718 /nfs/dbraw/zinc/67/07/18/363670718.db2.gz AUUYZIBKOBSCPX-CYBMUJFWSA-N 1 2 266.389 0.822 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175714 363672385 /nfs/dbraw/zinc/67/23/85/363672385.db2.gz KYHAVSAGODFDGN-UHFFFAOYSA-N 1 2 278.400 0.942 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000592497759 359860906 /nfs/dbraw/zinc/86/09/06/359860906.db2.gz CIBKUVOFCPACMV-UHFFFAOYSA-N 1 2 286.339 0.511 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000592497759 359860911 /nfs/dbraw/zinc/86/09/11/359860911.db2.gz CIBKUVOFCPACMV-UHFFFAOYSA-N 1 2 286.339 0.511 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000592837046 359948056 /nfs/dbraw/zinc/94/80/56/359948056.db2.gz CVUDJAMGCUUIDS-OAHLLOKOSA-N 1 2 284.319 0.754 20 30 CCEDLO Cn1cc(CSC[C@@H](O)C[N@H+](C)CCC#N)cn1 ZINC000592999154 360012034 /nfs/dbraw/zinc/01/20/34/360012034.db2.gz MXUIYVPIOAPOJN-LBPRGKRZSA-N 1 2 268.386 0.860 20 30 CCEDLO Cn1cc(CSC[C@@H](O)C[N@@H+](C)CCC#N)cn1 ZINC000592999154 360012036 /nfs/dbraw/zinc/01/20/36/360012036.db2.gz MXUIYVPIOAPOJN-LBPRGKRZSA-N 1 2 268.386 0.860 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593607225 360120089 /nfs/dbraw/zinc/12/00/89/360120089.db2.gz NATINXSLNQMSLL-UHFFFAOYSA-N 1 2 296.377 0.874 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000611429406 363716356 /nfs/dbraw/zinc/71/63/56/363716356.db2.gz NGUAOYNXQMUWCN-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000611429406 363716361 /nfs/dbraw/zinc/71/63/61/363716361.db2.gz NGUAOYNXQMUWCN-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000611516820 363731241 /nfs/dbraw/zinc/73/12/41/363731241.db2.gz LMKBGJRBANMSTI-KBPBESRZSA-N 1 2 278.400 0.773 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000595289883 360482761 /nfs/dbraw/zinc/48/27/61/360482761.db2.gz QYPCLODSSOHJJX-UONOGXRCSA-N 1 2 294.376 0.802 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000595289883 360482767 /nfs/dbraw/zinc/48/27/67/360482767.db2.gz QYPCLODSSOHJJX-UONOGXRCSA-N 1 2 294.376 0.802 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382918 360515571 /nfs/dbraw/zinc/51/55/71/360515571.db2.gz LAFWBOSQVZDRTD-QWRGUYRKSA-N 1 2 299.400 0.797 20 30 CCEDLO C[C@@H](C#N)N(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000595715784 360628072 /nfs/dbraw/zinc/62/80/72/360628072.db2.gz DLWMSVHIAMFMPM-WCQYABFASA-N 1 2 253.346 0.056 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834979 360673232 /nfs/dbraw/zinc/67/32/32/360673232.db2.gz ODWXUFZXAZJLQK-GXFFZTMASA-N 1 2 266.345 0.845 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834979 360673240 /nfs/dbraw/zinc/67/32/40/360673240.db2.gz ODWXUFZXAZJLQK-GXFFZTMASA-N 1 2 266.345 0.845 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838621 360674953 /nfs/dbraw/zinc/67/49/53/360674953.db2.gz CLKAFMACGBTIEI-AWEZNQCLSA-N 1 2 275.356 0.614 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838621 360674957 /nfs/dbraw/zinc/67/49/57/360674957.db2.gz CLKAFMACGBTIEI-AWEZNQCLSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H](Nc1cc(C#N)cnn1)[C@H](C)[NH+]1CCOCC1 ZINC000596113959 360798787 /nfs/dbraw/zinc/79/87/87/360798787.db2.gz FSWKGGOQFSFCOW-MNOVXSKESA-N 1 2 261.329 0.291 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnn2C)CC1 ZINC000596136723 360808991 /nfs/dbraw/zinc/80/89/91/360808991.db2.gz KOFYKCQVJXNWMZ-UHFFFAOYSA-N 1 2 291.355 0.367 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnn2C)CC1 ZINC000596136723 360808994 /nfs/dbraw/zinc/80/89/94/360808994.db2.gz KOFYKCQVJXNWMZ-UHFFFAOYSA-N 1 2 291.355 0.367 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H](CC#N)C1 ZINC000596326671 360880412 /nfs/dbraw/zinc/88/04/12/360880412.db2.gz YSMDLLGTYYMOLV-SECBINFHSA-N 1 2 271.328 0.906 20 30 CCEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC(CC#N)C1 ZINC000597193609 361029342 /nfs/dbraw/zinc/02/93/42/361029342.db2.gz IHQMYBDOGJKJIA-UHFFFAOYSA-N 1 2 289.383 0.911 20 30 CCEDLO C[C@H](C#N)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597676927 361187278 /nfs/dbraw/zinc/18/72/78/361187278.db2.gz CYTPTQGLVUMWTG-CHWSQXEVSA-N 1 2 297.424 0.812 20 30 CCEDLO Cc1onc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)c1C#N ZINC000597683247 361192928 /nfs/dbraw/zinc/19/29/28/361192928.db2.gz BLRGFOUVWMQRHU-SSDOTTSWSA-N 1 2 259.269 0.998 20 30 CCEDLO N#C[C@H](CO)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597738987 361220240 /nfs/dbraw/zinc/22/02/40/361220240.db2.gz SMNZAQNHRBCOSD-OLZOCXBDSA-N 1 2 284.319 0.932 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996938 361305102 /nfs/dbraw/zinc/30/51/02/361305102.db2.gz RRNLAOBRBZQVAN-SDDRHHMPSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996938 361305104 /nfs/dbraw/zinc/30/51/04/361305104.db2.gz RRNLAOBRBZQVAN-SDDRHHMPSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)[C@H](C)CO1 ZINC000597998748 361305848 /nfs/dbraw/zinc/30/58/48/361305848.db2.gz QKCISAKKLFVQCV-VXGBXAGGSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)[C@H](C)CO1 ZINC000597998748 361305852 /nfs/dbraw/zinc/30/58/52/361305852.db2.gz QKCISAKKLFVQCV-VXGBXAGGSA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@](COC)([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598620675 361461515 /nfs/dbraw/zinc/46/15/15/361461515.db2.gz MXHZHMIFVUXNFU-BXUZGUMPSA-N 1 2 286.372 0.845 20 30 CCEDLO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591990 361452517 /nfs/dbraw/zinc/45/25/17/361452517.db2.gz DICMPCVVOSKNHL-NWDGAFQWSA-N 1 2 293.371 0.787 20 30 CCEDLO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591990 361452521 /nfs/dbraw/zinc/45/25/21/361452521.db2.gz DICMPCVVOSKNHL-NWDGAFQWSA-N 1 2 293.371 0.787 20 30 CCEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000599054716 361562083 /nfs/dbraw/zinc/56/20/83/361562083.db2.gz MPOUDHLFCHCWRH-NEPJUHHUSA-N 1 2 295.350 0.973 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000599051974 361562154 /nfs/dbraw/zinc/56/21/54/361562154.db2.gz ZCVLAKKTEUIVNG-RUXDESIVSA-N 1 2 294.399 0.946 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000599051974 361562159 /nfs/dbraw/zinc/56/21/59/361562159.db2.gz ZCVLAKKTEUIVNG-RUXDESIVSA-N 1 2 294.399 0.946 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259095 361624334 /nfs/dbraw/zinc/62/43/34/361624334.db2.gz KUHQMVFMRYUHNO-LLVKDONJSA-N 1 2 270.329 0.163 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259095 361624338 /nfs/dbraw/zinc/62/43/38/361624338.db2.gz KUHQMVFMRYUHNO-LLVKDONJSA-N 1 2 270.329 0.163 20 30 CCEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000599335707 361657444 /nfs/dbraw/zinc/65/74/44/361657444.db2.gz AUIMQUMZFUPQIV-UONOGXRCSA-N 1 2 297.399 0.466 20 30 CCEDLO COCC#CC[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599448699 361707117 /nfs/dbraw/zinc/70/71/17/361707117.db2.gz YYCRGMDOHMQMCO-UHFFFAOYSA-N 1 2 262.309 0.950 20 30 CCEDLO COCC#CC[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599448699 361707122 /nfs/dbraw/zinc/70/71/22/361707122.db2.gz YYCRGMDOHMQMCO-UHFFFAOYSA-N 1 2 262.309 0.950 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599420468 361692959 /nfs/dbraw/zinc/69/29/59/361692959.db2.gz CVCWRUCNNARXRO-AWEZNQCLSA-N 1 2 281.319 0.866 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167686 363858623 /nfs/dbraw/zinc/85/86/23/363858623.db2.gz UPEDBIBCCPFROV-CABZTGNLSA-N 1 2 252.318 0.456 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167686 363858625 /nfs/dbraw/zinc/85/86/25/363858625.db2.gz UPEDBIBCCPFROV-CABZTGNLSA-N 1 2 252.318 0.456 20 30 CCEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC#N)CC1 ZINC000613885610 364429149 /nfs/dbraw/zinc/42/91/49/364429149.db2.gz JOMLQFMMPLVDBW-UHFFFAOYSA-N 1 2 286.335 0.926 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614668096 364696518 /nfs/dbraw/zinc/69/65/18/364696518.db2.gz LEWREVIVLWMVLK-RISCZKNCSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614668096 364696519 /nfs/dbraw/zinc/69/65/19/364696519.db2.gz LEWREVIVLWMVLK-RISCZKNCSA-N 1 2 294.355 0.335 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CC ZINC000615711248 365059752 /nfs/dbraw/zinc/05/97/52/365059752.db2.gz VYYGPQTZVLPKDM-GFCCVEGCSA-N 1 2 278.356 0.990 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N1CCCC1 ZINC000615771890 365085635 /nfs/dbraw/zinc/08/56/35/365085635.db2.gz RRBOWFXTEMPBMI-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000615771890 365085640 /nfs/dbraw/zinc/08/56/40/365085640.db2.gz RRBOWFXTEMPBMI-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616505227 365346589 /nfs/dbraw/zinc/34/65/89/365346589.db2.gz JOQMNLYSKKIYPO-WDEREUQCSA-N 1 2 261.325 0.405 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616505227 365346596 /nfs/dbraw/zinc/34/65/96/365346596.db2.gz JOQMNLYSKKIYPO-WDEREUQCSA-N 1 2 261.325 0.405 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]23CCNC3=O)cc1 ZINC000565173274 291351785 /nfs/dbraw/zinc/35/17/85/291351785.db2.gz QQFXNWBFSXHOHU-MRXNPFEDSA-N 1 2 298.346 0.851 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@]23CCNC3=O)cc1 ZINC000565173274 291351786 /nfs/dbraw/zinc/35/17/86/291351786.db2.gz QQFXNWBFSXHOHU-MRXNPFEDSA-N 1 2 298.346 0.851 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697247 365430277 /nfs/dbraw/zinc/43/02/77/365430277.db2.gz WCUULMLMSHCQEF-NRWUCQMLSA-N 1 2 270.373 0.537 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697247 365430286 /nfs/dbraw/zinc/43/02/86/365430286.db2.gz WCUULMLMSHCQEF-NRWUCQMLSA-N 1 2 270.373 0.537 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623255802 367493563 /nfs/dbraw/zinc/49/35/63/367493563.db2.gz WJOLDZYUDYXZEW-SECBINFHSA-N 1 2 258.285 0.015 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623255803 367493861 /nfs/dbraw/zinc/49/38/61/367493861.db2.gz WJOLDZYUDYXZEW-VIFPVBQESA-N 1 2 258.285 0.015 20 30 CCEDLO NC(=O)C[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000626077863 368429655 /nfs/dbraw/zinc/42/96/55/368429655.db2.gz RVHLBOJJSXMXQI-AWEZNQCLSA-N 1 2 258.321 0.614 20 30 CCEDLO NC(=O)C[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000626077863 368429658 /nfs/dbraw/zinc/42/96/58/368429658.db2.gz RVHLBOJJSXMXQI-AWEZNQCLSA-N 1 2 258.321 0.614 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355831 371003424 /nfs/dbraw/zinc/00/34/24/371003424.db2.gz XUABYVPUYOMKPJ-UHFFFAOYSA-N 1 2 274.386 0.156 20 30 CCEDLO C[C@H](NC(=O)C1(CO)COC1)[C@H](C)[NH+]1CCOCC1 ZINC000329216734 227358604 /nfs/dbraw/zinc/35/86/04/227358604.db2.gz OZWVSWDPOUMXIS-QWRGUYRKSA-N 1 2 272.345 0.061 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000639100332 375578339 /nfs/dbraw/zinc/57/83/39/375578339.db2.gz NUGAEEAZEOXUKE-ZDUSSCGKSA-N 1 2 280.372 0.949 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000639100332 375578345 /nfs/dbraw/zinc/57/83/45/375578345.db2.gz NUGAEEAZEOXUKE-ZDUSSCGKSA-N 1 2 280.372 0.949 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1F ZINC000334333774 206384272 /nfs/dbraw/zinc/38/42/72/206384272.db2.gz VMDWQSQZRJYIBX-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1F ZINC000334333774 206384277 /nfs/dbraw/zinc/38/42/77/206384277.db2.gz VMDWQSQZRJYIBX-NSHDSACASA-N 1 2 262.288 0.940 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(C)no2)nn1 ZINC000640934536 376624854 /nfs/dbraw/zinc/62/48/54/376624854.db2.gz ZZTCQLYFUXGZCQ-VIFPVBQESA-N 1 2 260.301 0.692 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000641083892 376753272 /nfs/dbraw/zinc/75/32/72/376753272.db2.gz FAFFRCNARLEZMB-CYBMUJFWSA-N 1 2 266.345 0.262 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2cc(CO)cc[nH+]2)C1=O ZINC000641550412 377252333 /nfs/dbraw/zinc/25/23/33/377252333.db2.gz UHOZKSSJXAGKOG-LBPRGKRZSA-N 1 2 261.325 0.797 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000657088451 412885728 /nfs/dbraw/zinc/88/57/28/412885728.db2.gz CNFTYYLODUGWMX-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000657088451 412885729 /nfs/dbraw/zinc/88/57/29/412885729.db2.gz CNFTYYLODUGWMX-RYUDHWBXSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000657089433 412885873 /nfs/dbraw/zinc/88/58/73/412885873.db2.gz KGGYNRRPOJGVFH-CHWSQXEVSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000657089433 412885875 /nfs/dbraw/zinc/88/58/75/412885875.db2.gz KGGYNRRPOJGVFH-CHWSQXEVSA-N 1 2 290.429 0.981 20 30 CCEDLO N#Cc1ccncc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278705379 194112221 /nfs/dbraw/zinc/11/22/21/194112221.db2.gz ITFRVMDWJAJOHG-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ccncc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278705379 194112224 /nfs/dbraw/zinc/11/22/24/194112224.db2.gz ITFRVMDWJAJOHG-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO COCCC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425253136 533171946 /nfs/dbraw/zinc/17/19/46/533171946.db2.gz IRTYCEZUCAUNAJ-UHFFFAOYSA-N 1 2 288.351 0.947 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000184227986 388770019 /nfs/dbraw/zinc/77/00/19/388770019.db2.gz QBNAKCBNPOKSJW-LLVKDONJSA-N 1 2 252.318 0.509 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288991138 388866032 /nfs/dbraw/zinc/86/60/32/388866032.db2.gz LOUXFUMOWOHXSE-GFCCVEGCSA-N 1 2 286.331 0.998 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288991138 388866036 /nfs/dbraw/zinc/86/60/36/388866036.db2.gz LOUXFUMOWOHXSE-GFCCVEGCSA-N 1 2 286.331 0.998 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000289271639 388868223 /nfs/dbraw/zinc/86/82/23/388868223.db2.gz WYVPILMPMQGTAG-KGLIPLIRSA-N 1 2 276.380 0.875 20 30 CCEDLO C#C[C@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000287134569 388848603 /nfs/dbraw/zinc/84/86/03/388848603.db2.gz NIJPKDZLHIBRLJ-LBPRGKRZSA-N 1 2 291.355 0.359 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1nncs1 ZINC000048571972 388893103 /nfs/dbraw/zinc/89/31/03/388893103.db2.gz JAFYAAWGPMUXIU-UHFFFAOYSA-N 1 2 271.346 0.569 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1nncs1 ZINC000048571972 388893108 /nfs/dbraw/zinc/89/31/08/388893108.db2.gz JAFYAAWGPMUXIU-UHFFFAOYSA-N 1 2 271.346 0.569 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)C#N ZINC000049000605 388912743 /nfs/dbraw/zinc/91/27/43/388912743.db2.gz ATUKGCSNRREHIW-QMMMGPOBSA-N 1 2 294.277 0.856 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)C#N ZINC000049000605 388912744 /nfs/dbraw/zinc/91/27/44/388912744.db2.gz ATUKGCSNRREHIW-QMMMGPOBSA-N 1 2 294.277 0.856 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000049238725 388917989 /nfs/dbraw/zinc/91/79/89/388917989.db2.gz QVXXMDADBZITEC-BXUZGUMPSA-N 1 2 278.356 0.005 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000049238725 388917991 /nfs/dbraw/zinc/91/79/91/388917991.db2.gz QVXXMDADBZITEC-BXUZGUMPSA-N 1 2 278.356 0.005 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000293174348 388979964 /nfs/dbraw/zinc/97/99/64/388979964.db2.gz PIYQHABIOGCIJR-CYBMUJFWSA-N 1 2 280.368 0.886 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000293174348 388979965 /nfs/dbraw/zinc/97/99/65/388979965.db2.gz PIYQHABIOGCIJR-CYBMUJFWSA-N 1 2 280.368 0.886 20 30 CCEDLO C=CCOCC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000293614377 388985651 /nfs/dbraw/zinc/98/56/51/388985651.db2.gz PWPGKOGCUPBUTI-UHFFFAOYSA-N 1 2 284.381 0.968 20 30 CCEDLO C=CCOCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000293614377 388985652 /nfs/dbraw/zinc/98/56/52/388985652.db2.gz PWPGKOGCUPBUTI-UHFFFAOYSA-N 1 2 284.381 0.968 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190554370 388994511 /nfs/dbraw/zinc/99/45/11/388994511.db2.gz RUCKHZLRNOIMTD-UHFFFAOYSA-N 1 2 283.372 0.888 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(OCCOC)cc1 ZINC000192225774 389029924 /nfs/dbraw/zinc/02/99/24/389029924.db2.gz NVUXHMIQFGGFTP-UHFFFAOYSA-N 1 2 290.363 0.893 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(OCCOC)cc1 ZINC000192225774 389029929 /nfs/dbraw/zinc/02/99/29/389029929.db2.gz NVUXHMIQFGGFTP-UHFFFAOYSA-N 1 2 290.363 0.893 20 30 CCEDLO C#CCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000297834473 389012676 /nfs/dbraw/zinc/01/26/76/389012676.db2.gz MNNRIXWWCAJZOY-HNNXBMFYSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000297834473 389012680 /nfs/dbraw/zinc/01/26/80/389012680.db2.gz MNNRIXWWCAJZOY-HNNXBMFYSA-N 1 2 299.374 0.593 20 30 CCEDLO CCOC(=O)C1CC[NH+](Cc2cn(CC#N)nn2)CC1 ZINC000096234707 389055582 /nfs/dbraw/zinc/05/55/82/389055582.db2.gz ATUUWFIMIHPKLY-UHFFFAOYSA-N 1 2 277.328 0.577 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1=O ZINC000337281611 389058855 /nfs/dbraw/zinc/05/88/55/389058855.db2.gz WICXQUFXKMKCNS-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1=O ZINC000337281611 389058861 /nfs/dbraw/zinc/05/88/61/389058861.db2.gz WICXQUFXKMKCNS-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C=C/C)CC1 ZINC000104007891 389079270 /nfs/dbraw/zinc/07/92/70/389079270.db2.gz QQRCIOFDJALYEW-QFXXITGJSA-N 1 2 289.379 0.402 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C=C/C)CC1 ZINC000104007891 389079273 /nfs/dbraw/zinc/07/92/73/389079273.db2.gz QQRCIOFDJALYEW-QFXXITGJSA-N 1 2 289.379 0.402 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338163777 389081190 /nfs/dbraw/zinc/08/11/90/389081190.db2.gz MVDULSZPHOKHLX-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892062 389088995 /nfs/dbraw/zinc/08/89/95/389088995.db2.gz JDHXAZCYWIDSKH-KBPBESRZSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892062 389088997 /nfs/dbraw/zinc/08/89/97/389088997.db2.gz JDHXAZCYWIDSKH-KBPBESRZSA-N 1 2 292.383 0.583 20 30 CCEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000225802530 389146280 /nfs/dbraw/zinc/14/62/80/389146280.db2.gz SFICXMSAIPHLDM-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000225802530 389146283 /nfs/dbraw/zinc/14/62/83/389146283.db2.gz SFICXMSAIPHLDM-LLVKDONJSA-N 1 2 279.365 0.883 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121332739 389147288 /nfs/dbraw/zinc/14/72/88/389147288.db2.gz CNQFPWGQSAVSCM-SNVBAGLBSA-N 1 2 255.318 0.247 20 30 CCEDLO C[C@H]1Cc2ccccc2N1C(=O)CO[NH+]=C(N)CCO ZINC000121309217 389147551 /nfs/dbraw/zinc/14/75/51/389147551.db2.gz KZPRPOAPXNSPHH-JTQLQIEISA-N 1 2 277.324 0.635 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C[C@H](C)C#N)C2CC2)nn1 ZINC000338347510 389109291 /nfs/dbraw/zinc/10/92/91/389109291.db2.gz HCGKEYIXRHBGTO-LLVKDONJSA-N 1 2 291.355 0.618 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C[C@H](C)C#N)C2CC2)nn1 ZINC000338347510 389109295 /nfs/dbraw/zinc/10/92/95/389109295.db2.gz HCGKEYIXRHBGTO-LLVKDONJSA-N 1 2 291.355 0.618 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOCCC#N ZINC000338995792 389120293 /nfs/dbraw/zinc/12/02/93/389120293.db2.gz HMPITESNLLIIDA-LLVKDONJSA-N 1 2 262.375 0.672 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOCCC#N ZINC000338995792 389120296 /nfs/dbraw/zinc/12/02/96/389120296.db2.gz HMPITESNLLIIDA-LLVKDONJSA-N 1 2 262.375 0.672 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357243622 389132558 /nfs/dbraw/zinc/13/25/58/389132558.db2.gz BCMUSPABBPZDDU-UHFFFAOYSA-N 1 2 278.356 0.800 20 30 CCEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339713979 389137284 /nfs/dbraw/zinc/13/72/84/389137284.db2.gz CSNJTFNIKYDHFJ-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000339770042 389138805 /nfs/dbraw/zinc/13/88/05/389138805.db2.gz BJCAQOPPOUUWBU-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000339770042 389138806 /nfs/dbraw/zinc/13/88/06/389138806.db2.gz BJCAQOPPOUUWBU-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cn[nH]c1 ZINC000328878941 389142346 /nfs/dbraw/zinc/14/23/46/389142346.db2.gz UXXRZFVGTAWNPJ-WCQGTBRESA-N 1 2 279.344 0.400 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cn[nH]c1 ZINC000328878941 389142349 /nfs/dbraw/zinc/14/23/49/389142349.db2.gz UXXRZFVGTAWNPJ-WCQGTBRESA-N 1 2 279.344 0.400 20 30 CCEDLO CNC(=O)c1cccnc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329635870 389180670 /nfs/dbraw/zinc/18/06/70/389180670.db2.gz USHLUMMKRFEPQB-LLVKDONJSA-N 1 2 277.372 0.674 20 30 CCEDLO CNC(=O)c1cccnc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329635870 389180673 /nfs/dbraw/zinc/18/06/73/389180673.db2.gz USHLUMMKRFEPQB-LLVKDONJSA-N 1 2 277.372 0.674 20 30 CCEDLO C=CCn1c(=[NH2+])[n-]nc1SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359773503 389183436 /nfs/dbraw/zinc/18/34/36/389183436.db2.gz PJLCMGRUCUMWMK-PHIMTYICSA-N 1 2 295.412 0.832 20 30 CCEDLO C=CCn1c(=[NH2+])[n-]nc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359773503 389183439 /nfs/dbraw/zinc/18/34/39/389183439.db2.gz PJLCMGRUCUMWMK-PHIMTYICSA-N 1 2 295.412 0.832 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000359917595 389186600 /nfs/dbraw/zinc/18/66/00/389186600.db2.gz NTSIYGFJZOUVBJ-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CO)CC1 ZINC000329725769 389192898 /nfs/dbraw/zinc/19/28/98/389192898.db2.gz GJBBRTZWUOENJU-LLVKDONJSA-N 1 2 278.356 0.885 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CO)CC1 ZINC000329725769 389192899 /nfs/dbraw/zinc/19/28/99/389192899.db2.gz GJBBRTZWUOENJU-LLVKDONJSA-N 1 2 278.356 0.885 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC(O)C1 ZINC000329731235 389193423 /nfs/dbraw/zinc/19/34/23/389193423.db2.gz ICSIVRUHEXYPPV-XNWIYYODSA-N 1 2 264.329 0.636 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC(O)C1 ZINC000329731235 389193424 /nfs/dbraw/zinc/19/34/24/389193424.db2.gz ICSIVRUHEXYPPV-XNWIYYODSA-N 1 2 264.329 0.636 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000129919703 389195448 /nfs/dbraw/zinc/19/54/48/389195448.db2.gz WEWKAEIZHKNKNV-LBPRGKRZSA-N 1 2 295.387 0.081 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000129919703 389195449 /nfs/dbraw/zinc/19/54/49/389195449.db2.gz WEWKAEIZHKNKNV-LBPRGKRZSA-N 1 2 295.387 0.081 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000122235464 389151321 /nfs/dbraw/zinc/15/13/21/389151321.db2.gz JPGBNVYYACPBLX-UHFFFAOYSA-N 1 2 293.367 0.192 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2cccnc2)C1 ZINC000329366721 389159503 /nfs/dbraw/zinc/15/95/03/389159503.db2.gz KOGQFNQHMPVPBX-ZDUSSCGKSA-N 1 2 277.372 0.331 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2cccnc2)C1 ZINC000329366721 389159504 /nfs/dbraw/zinc/15/95/04/389159504.db2.gz KOGQFNQHMPVPBX-ZDUSSCGKSA-N 1 2 277.372 0.331 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000329371651 389159922 /nfs/dbraw/zinc/15/99/22/389159922.db2.gz JBSAXDSJEHOITD-QWHCGFSZSA-N 1 2 285.388 0.637 20 30 CCEDLO CC[NH+]1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329400912 389162177 /nfs/dbraw/zinc/16/21/77/389162177.db2.gz VYZRPHRXFAHLJU-NSHDSACASA-N 1 2 289.401 0.115 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329433099 389163620 /nfs/dbraw/zinc/16/36/20/389163620.db2.gz LBHWUAWIVSBJDW-PWSUYJOCSA-N 1 2 296.371 0.424 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329433099 389163621 /nfs/dbraw/zinc/16/36/21/389163621.db2.gz LBHWUAWIVSBJDW-PWSUYJOCSA-N 1 2 296.371 0.424 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000359333205 389171405 /nfs/dbraw/zinc/17/14/05/389171405.db2.gz SNHMWUDMGMAPPJ-WDEREUQCSA-N 1 2 264.329 0.717 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCO1 ZINC000247711308 389242171 /nfs/dbraw/zinc/24/21/71/389242171.db2.gz JRDGSEWFBVMMCE-CYBMUJFWSA-N 1 2 281.356 0.240 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248125796 389243955 /nfs/dbraw/zinc/24/39/55/389243955.db2.gz NWPMYKLRWABRSQ-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248125796 389243957 /nfs/dbraw/zinc/24/39/57/389243957.db2.gz NWPMYKLRWABRSQ-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330585455 389244362 /nfs/dbraw/zinc/24/43/62/389244362.db2.gz VZFNHCFYVHXSCB-UWVGGRQHSA-N 1 2 275.324 0.221 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330585455 389244364 /nfs/dbraw/zinc/24/43/64/389244364.db2.gz VZFNHCFYVHXSCB-UWVGGRQHSA-N 1 2 275.324 0.221 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C[C@H](C)C#N ZINC000330603263 389246001 /nfs/dbraw/zinc/24/60/01/389246001.db2.gz FVFWJEACISGCDR-TZMCWYRMSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)C[C@H](C)C#N ZINC000330603263 389246006 /nfs/dbraw/zinc/24/60/06/389246006.db2.gz FVFWJEACISGCDR-TZMCWYRMSA-N 1 2 294.399 0.595 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000248576279 389247153 /nfs/dbraw/zinc/24/71/53/389247153.db2.gz PKMJDDRFOXSVIS-WBVHZDCISA-N 1 2 299.374 0.884 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000248576279 389247158 /nfs/dbraw/zinc/24/71/58/389247158.db2.gz PKMJDDRFOXSVIS-WBVHZDCISA-N 1 2 299.374 0.884 20 30 CCEDLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c[nH+]1 ZINC000330638391 389248367 /nfs/dbraw/zinc/24/83/67/389248367.db2.gz GLXUTZZHFFLHPO-ONGXEEELSA-N 1 2 280.328 0.659 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC)CC1 ZINC000363483768 389248611 /nfs/dbraw/zinc/24/86/11/389248611.db2.gz LDSOYTYHMRREKK-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC)CC1 ZINC000363483768 389248613 /nfs/dbraw/zinc/24/86/13/389248613.db2.gz LDSOYTYHMRREKK-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330770413 389254085 /nfs/dbraw/zinc/25/40/85/389254085.db2.gz BFDBTAXGPGTKQV-LLVKDONJSA-N 1 2 293.371 0.773 20 30 CCEDLO Cn1ccc(CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000329871961 389207652 /nfs/dbraw/zinc/20/76/52/389207652.db2.gz BCLMECFKWGQQMW-LLVKDONJSA-N 1 2 288.355 0.883 20 30 CCEDLO Cn1ccc(CNC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000329871961 389207657 /nfs/dbraw/zinc/20/76/57/389207657.db2.gz BCLMECFKWGQQMW-LLVKDONJSA-N 1 2 288.355 0.883 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)OC ZINC000361112490 389208695 /nfs/dbraw/zinc/20/86/95/389208695.db2.gz YRISJEXIUXRWMW-WOPDTQHZSA-N 1 2 257.330 0.745 20 30 CCEDLO C=CCOC[C@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000361112842 389208756 /nfs/dbraw/zinc/20/87/56/389208756.db2.gz JQVHWCZHBMWREH-LBPRGKRZSA-N 1 2 287.356 0.516 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000329902681 389209872 /nfs/dbraw/zinc/20/98/72/389209872.db2.gz HWJTVTKZLPEFRY-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000329902681 389209873 /nfs/dbraw/zinc/20/98/73/389209873.db2.gz HWJTVTKZLPEFRY-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO CN1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC1=O ZINC000329908037 389210270 /nfs/dbraw/zinc/21/02/70/389210270.db2.gz LJROZSBPRFQSAP-LLVKDONJSA-N 1 2 281.356 0.286 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000330163992 389217928 /nfs/dbraw/zinc/21/79/28/389217928.db2.gz VRGZRWRQSRKWAN-NXEZZACHSA-N 1 2 260.359 0.614 20 30 CCEDLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000330163992 389217930 /nfs/dbraw/zinc/21/79/30/389217930.db2.gz VRGZRWRQSRKWAN-NXEZZACHSA-N 1 2 260.359 0.614 20 30 CCEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCn2ccnc2C1 ZINC000330241448 389219559 /nfs/dbraw/zinc/21/95/59/389219559.db2.gz BTKJSDUVUXYSEI-LLVKDONJSA-N 1 2 286.339 0.824 20 30 CCEDLO C=CC[N@@H+](CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000330365319 389221304 /nfs/dbraw/zinc/22/13/04/389221304.db2.gz KUGYVOKSAIVTDM-ZDUSSCGKSA-N 1 2 283.397 0.867 20 30 CCEDLO C=CC[N@H+](CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000330365319 389221306 /nfs/dbraw/zinc/22/13/06/389221306.db2.gz KUGYVOKSAIVTDM-ZDUSSCGKSA-N 1 2 283.397 0.867 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)NC1(CCO)CCCCC1 ZINC000330415374 389226520 /nfs/dbraw/zinc/22/65/20/389226520.db2.gz AMYMPUBQYCPLMO-UHFFFAOYSA-N 1 2 299.415 0.908 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000364450148 389266367 /nfs/dbraw/zinc/26/63/67/389266367.db2.gz UPOGLGRNPSVPLX-UONOGXRCSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000364450148 389266371 /nfs/dbraw/zinc/26/63/71/389266371.db2.gz UPOGLGRNPSVPLX-UONOGXRCSA-N 1 2 287.319 0.728 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330529838 389238391 /nfs/dbraw/zinc/23/83/91/389238391.db2.gz MIHDYMAALBMFCX-RYUDHWBXSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330529838 389238394 /nfs/dbraw/zinc/23/83/94/389238394.db2.gz MIHDYMAALBMFCX-RYUDHWBXSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000331697203 389310850 /nfs/dbraw/zinc/31/08/50/389310850.db2.gz VAROXYIIUJWRIJ-OBJOEFQTSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000331697203 389310853 /nfs/dbraw/zinc/31/08/53/389310853.db2.gz VAROXYIIUJWRIJ-OBJOEFQTSA-N 1 2 268.357 0.557 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC000264228434 389313871 /nfs/dbraw/zinc/31/38/71/389313871.db2.gz ZYJZYJHYMKNUNQ-ZDUSSCGKSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC000264228434 389313873 /nfs/dbraw/zinc/31/38/73/389313873.db2.gz ZYJZYJHYMKNUNQ-ZDUSSCGKSA-N 1 2 279.384 0.316 20 30 CCEDLO COC(=O)CNC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156592308 389325869 /nfs/dbraw/zinc/32/58/69/389325869.db2.gz SOSOVCSZRXWDSI-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)CNC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156592308 389325874 /nfs/dbraw/zinc/32/58/74/389325874.db2.gz SOSOVCSZRXWDSI-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264429968 389327708 /nfs/dbraw/zinc/32/77/08/389327708.db2.gz WRCMQFHKQHXNGM-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264429968 389327713 /nfs/dbraw/zinc/32/77/13/389327713.db2.gz WRCMQFHKQHXNGM-OLZOCXBDSA-N 1 2 293.411 0.751 20 30 CCEDLO CC[C@H](OC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346497782 389330332 /nfs/dbraw/zinc/33/03/32/389330332.db2.gz BATOXBCOFUYFCE-ZDUSSCGKSA-N 1 2 283.372 0.486 20 30 CCEDLO CC(C)(C)[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000343890439 389274685 /nfs/dbraw/zinc/27/46/85/389274685.db2.gz YHYLKISEVXDCII-AWEZNQCLSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)(C)[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000343890439 389274687 /nfs/dbraw/zinc/27/46/87/389274687.db2.gz YHYLKISEVXDCII-AWEZNQCLSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)(C)[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000343890439 389274690 /nfs/dbraw/zinc/27/46/90/389274690.db2.gz YHYLKISEVXDCII-AWEZNQCLSA-N 1 2 283.416 0.941 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464127 389302082 /nfs/dbraw/zinc/30/20/82/389302082.db2.gz TWQILURQLYXISM-WCQYABFASA-N 1 2 280.372 0.651 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366464127 389302085 /nfs/dbraw/zinc/30/20/85/389302085.db2.gz TWQILURQLYXISM-WCQYABFASA-N 1 2 280.372 0.651 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccnn1C ZINC000348383702 389375720 /nfs/dbraw/zinc/37/57/20/389375720.db2.gz ZANFTRBQSMXGBJ-CQSZACIVSA-N 1 2 277.372 0.906 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348383702 389375726 /nfs/dbraw/zinc/37/57/26/389375726.db2.gz ZANFTRBQSMXGBJ-CQSZACIVSA-N 1 2 277.372 0.906 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000408402518 389346310 /nfs/dbraw/zinc/34/63/10/389346310.db2.gz NZRNZUZXYGURSX-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000408402518 389346313 /nfs/dbraw/zinc/34/63/13/389346313.db2.gz NZRNZUZXYGURSX-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCC#N ZINC000264737938 389351832 /nfs/dbraw/zinc/35/18/32/389351832.db2.gz JIFJOXSQXRHELJ-JTQLQIEISA-N 1 2 256.331 0.495 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000332440423 389352124 /nfs/dbraw/zinc/35/21/24/389352124.db2.gz WXEMCWVIVADPEW-NSHDSACASA-N 1 2 282.369 0.843 20 30 CCEDLO CN(CC#N)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C ZINC000348090493 389364198 /nfs/dbraw/zinc/36/41/98/389364198.db2.gz UQHBYARFDZMWBF-DGCLKSJQSA-N 1 2 265.336 0.788 20 30 CCEDLO CN(CC#N)C[C@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C ZINC000348090493 389364201 /nfs/dbraw/zinc/36/42/01/389364201.db2.gz UQHBYARFDZMWBF-DGCLKSJQSA-N 1 2 265.336 0.788 20 30 CCEDLO C[C@@H](NC(=O)C(C)(C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000170886823 389467609 /nfs/dbraw/zinc/46/76/09/389467609.db2.gz USILVECOUOMTOO-GHMZBOCLSA-N 1 2 253.346 0.762 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373516617 389489836 /nfs/dbraw/zinc/48/98/36/389489836.db2.gz ACHAADQRBLNITP-WCQYABFASA-N 1 2 250.342 0.768 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373516617 389489841 /nfs/dbraw/zinc/48/98/41/389489841.db2.gz ACHAADQRBLNITP-WCQYABFASA-N 1 2 250.342 0.768 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274161811 389492368 /nfs/dbraw/zinc/49/23/68/389492368.db2.gz MGNQUWCIHXIRAX-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274161811 389492372 /nfs/dbraw/zinc/49/23/72/389492372.db2.gz MGNQUWCIHXIRAX-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO N#CCCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175680503 389545720 /nfs/dbraw/zinc/54/57/20/389545720.db2.gz SCPAWEODHHOLGM-UHFFFAOYSA-N 1 2 267.310 0.914 20 30 CCEDLO C=C(C)C[N@@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000351062710 389563914 /nfs/dbraw/zinc/56/39/14/389563914.db2.gz JMPFCPNMJNNFKC-UHFFFAOYSA-N 1 2 294.355 0.632 20 30 CCEDLO C=C(C)C[N@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000351062710 389563916 /nfs/dbraw/zinc/56/39/16/389563916.db2.gz JMPFCPNMJNNFKC-UHFFFAOYSA-N 1 2 294.355 0.632 20 30 CCEDLO C=CCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373598711 389500491 /nfs/dbraw/zinc/50/04/91/389500491.db2.gz ZFIPECYMLGJBQH-CQSZACIVSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373598711 389500492 /nfs/dbraw/zinc/50/04/92/389500492.db2.gz ZFIPECYMLGJBQH-CQSZACIVSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)OCC)C1=O ZINC000281289995 389613551 /nfs/dbraw/zinc/61/35/51/389613551.db2.gz JFWVQRDKQVOMPE-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)OCC)C1=O ZINC000281289995 389613555 /nfs/dbraw/zinc/61/35/55/389613555.db2.gz JFWVQRDKQVOMPE-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178981052 389631162 /nfs/dbraw/zinc/63/11/62/389631162.db2.gz CQUSYKUXCRNSTO-LIOBOASVSA-N 1 2 290.323 0.719 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCC)C1=O ZINC000281919145 389634665 /nfs/dbraw/zinc/63/46/65/389634665.db2.gz HBUOHRXVWFTQTR-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCC)C1=O ZINC000281919145 389634668 /nfs/dbraw/zinc/63/46/68/389634668.db2.gz HBUOHRXVWFTQTR-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2 ZINC000374584371 389591782 /nfs/dbraw/zinc/59/17/82/389591782.db2.gz LCFNFVQHVUCMHW-NSHDSACASA-N 1 2 297.384 0.486 20 30 CCEDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000374661447 389598157 /nfs/dbraw/zinc/59/81/57/389598157.db2.gz HWWUSNUKPQWSCP-GFCCVEGCSA-N 1 2 275.356 0.768 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374664286 389598435 /nfs/dbraw/zinc/59/84/35/389598435.db2.gz PKEYMDXDYXZKLH-NSHDSACASA-N 1 2 291.355 0.407 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000182646432 389713093 /nfs/dbraw/zinc/71/30/93/389713093.db2.gz YZVUVPLBBDAFRR-GRYCIOLGSA-N 1 2 268.361 0.554 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@]23CCOC3)C1=O ZINC000375609491 389691455 /nfs/dbraw/zinc/69/14/55/389691455.db2.gz AUHCVKKLQHTKBS-GXTWGEPZSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@]23CCOC3)C1=O ZINC000375609491 389691457 /nfs/dbraw/zinc/69/14/57/389691457.db2.gz AUHCVKKLQHTKBS-GXTWGEPZSA-N 1 2 266.341 0.265 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182337836 389706231 /nfs/dbraw/zinc/70/62/31/389706231.db2.gz WMEJYYZPVKAAIX-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC000395381987 389777208 /nfs/dbraw/zinc/77/72/08/389777208.db2.gz YYQIQXRVDXAINB-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC000395381987 389777209 /nfs/dbraw/zinc/77/72/09/389777209.db2.gz YYQIQXRVDXAINB-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000395992257 389777233 /nfs/dbraw/zinc/77/72/33/389777233.db2.gz GCHNOCDRDBLQCZ-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000395992257 389777234 /nfs/dbraw/zinc/77/72/34/389777234.db2.gz GCHNOCDRDBLQCZ-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399549198 389791913 /nfs/dbraw/zinc/79/19/13/389791913.db2.gz CJZYLYBGUVUTCL-LLVKDONJSA-N 1 2 265.338 0.673 20 30 CCEDLO Cc1cccnc1OC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000352342365 389793104 /nfs/dbraw/zinc/79/31/04/389793104.db2.gz RKRUSFYGLAOUGU-UHFFFAOYSA-N 1 2 288.351 0.873 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000416415425 389740696 /nfs/dbraw/zinc/74/06/96/389740696.db2.gz UBPSAALKFAVMAP-SDDRHHMPSA-N 1 2 289.401 0.005 20 30 CCEDLO CC[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000416415425 389740697 /nfs/dbraw/zinc/74/06/97/389740697.db2.gz UBPSAALKFAVMAP-SDDRHHMPSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000416429172 389741794 /nfs/dbraw/zinc/74/17/94/389741794.db2.gz UYRQGACGWGIIRI-JQWIXIFHSA-N 1 2 281.337 0.777 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000352411927 389806179 /nfs/dbraw/zinc/80/61/79/389806179.db2.gz AFZSNWDCSIERSY-JTQLQIEISA-N 1 2 278.337 0.708 20 30 CCEDLO COC(=O)[C@@](C)(O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405089443 389812971 /nfs/dbraw/zinc/81/29/71/389812971.db2.gz LTUSZXWHTMDMII-AWEZNQCLSA-N 1 2 260.293 0.798 20 30 CCEDLO COC(=O)[C@@](C)(O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405089443 389812973 /nfs/dbraw/zinc/81/29/73/389812973.db2.gz LTUSZXWHTMDMII-AWEZNQCLSA-N 1 2 260.293 0.798 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C(N)=O)CC3)n2c1 ZINC000352932725 389842021 /nfs/dbraw/zinc/84/20/21/389842021.db2.gz ACTYDCVISMGFPS-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C(N)=O)CC3)n2c1 ZINC000352932725 389842026 /nfs/dbraw/zinc/84/20/26/389842026.db2.gz ACTYDCVISMGFPS-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000354042985 389858304 /nfs/dbraw/zinc/85/83/04/389858304.db2.gz UONAQUABNXIJGD-LLVKDONJSA-N 1 2 293.346 0.428 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000443715499 389884085 /nfs/dbraw/zinc/88/40/85/389884085.db2.gz CSJREQFRQTVITE-UHFFFAOYSA-N 1 2 265.338 0.542 20 30 CCEDLO C=CCS(=O)(=O)N(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418990706 389885920 /nfs/dbraw/zinc/88/59/20/389885920.db2.gz WJODHRVXODRRCK-TXEJJXNPSA-N 1 2 274.386 0.297 20 30 CCEDLO C=CCS(=O)(=O)N(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418990706 389885922 /nfs/dbraw/zinc/88/59/22/389885922.db2.gz WJODHRVXODRRCK-TXEJJXNPSA-N 1 2 274.386 0.297 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433321379 389908824 /nfs/dbraw/zinc/90/88/24/389908824.db2.gz NLNCQPJYJTXIKH-JTQLQIEISA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433321379 389908825 /nfs/dbraw/zinc/90/88/25/389908825.db2.gz NLNCQPJYJTXIKH-JTQLQIEISA-N 1 2 266.345 0.868 20 30 CCEDLO CCOC1CC(CNC(=O)[C@@H](C)C#N)([NH+]2CCOCC2)C1 ZINC000444577046 389909384 /nfs/dbraw/zinc/90/93/84/389909384.db2.gz KKTYSCVRONBTLQ-OPFPJEHXSA-N 1 2 295.383 0.532 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444802116 389919083 /nfs/dbraw/zinc/91/90/83/389919083.db2.gz LZGMYUCKSZLNAA-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444802116 389919084 /nfs/dbraw/zinc/91/90/84/389919084.db2.gz LZGMYUCKSZLNAA-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444802132 389919215 /nfs/dbraw/zinc/91/92/15/389919215.db2.gz LZGMYUCKSZLNAA-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444802132 389919217 /nfs/dbraw/zinc/91/92/17/389919217.db2.gz LZGMYUCKSZLNAA-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463945 389935478 /nfs/dbraw/zinc/93/54/78/389935478.db2.gz WCGWSKFCOJVREC-UHFFFAOYSA-N 1 2 297.399 0.695 20 30 CCEDLO Cc1c(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000493159496 390119929 /nfs/dbraw/zinc/11/99/29/390119929.db2.gz PVWKCCOCBQSOMG-UZYOAWRESA-N 1 2 275.356 0.702 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000491525217 390114473 /nfs/dbraw/zinc/11/44/73/390114473.db2.gz QUJGQOYPKZFYOY-SMDDNHRTSA-N 1 2 266.341 0.699 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000491525217 390114474 /nfs/dbraw/zinc/11/44/74/390114474.db2.gz QUJGQOYPKZFYOY-SMDDNHRTSA-N 1 2 266.341 0.699 20 30 CCEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCNC1=O ZINC000440959814 390047892 /nfs/dbraw/zinc/04/78/92/390047892.db2.gz LMBMLDBBWFPQKX-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCNC1=O ZINC000440959814 390047894 /nfs/dbraw/zinc/04/78/94/390047894.db2.gz LMBMLDBBWFPQKX-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nncn1C ZINC000494814205 390202318 /nfs/dbraw/zinc/20/23/18/390202318.db2.gz ZKSPKMWXDGBLQX-LLVKDONJSA-N 1 2 298.350 0.654 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2cncc(C#N)n2)CC1 ZINC000580320679 390238624 /nfs/dbraw/zinc/23/86/24/390238624.db2.gz SASWNSGGKOBJOT-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO COc1cc(C#N)ccc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000583572462 390294465 /nfs/dbraw/zinc/29/44/65/390294465.db2.gz JFSJRPCWQUTGPT-AWEZNQCLSA-N 1 2 275.308 0.301 20 30 CCEDLO C=CCn1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)nn1 ZINC000648765471 390403636 /nfs/dbraw/zinc/40/36/36/390403636.db2.gz IXDVQAJYCVYIPO-UHFFFAOYSA-N 1 2 285.307 0.763 20 30 CCEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000518709219 390493852 /nfs/dbraw/zinc/49/38/52/390493852.db2.gz MZQYPFPRFATKAA-NSHDSACASA-N 1 2 268.280 0.694 20 30 CCEDLO Cc1nc(N)c(CNC(=O)C2(C#N)CCCC2)c[nH+]1 ZINC000564681316 390496483 /nfs/dbraw/zinc/49/64/83/390496483.db2.gz LFHFJAFDYGTFAM-UHFFFAOYSA-N 1 2 259.313 0.898 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000565405208 390510337 /nfs/dbraw/zinc/51/03/37/390510337.db2.gz REKGSBGLQVLRIC-OLZOCXBDSA-N 1 2 297.399 0.740 20 30 CCEDLO Cc1c(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cnn1C ZINC000556079080 390472917 /nfs/dbraw/zinc/47/29/17/390472917.db2.gz OYDSBCQWMJRWDA-HNNXBMFYSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1c(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cnn1C ZINC000556079080 390472922 /nfs/dbraw/zinc/47/29/22/390472922.db2.gz OYDSBCQWMJRWDA-HNNXBMFYSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1ncccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000516574551 390483321 /nfs/dbraw/zinc/48/33/21/390483321.db2.gz SERVMAYVVOQNPC-CQSZACIVSA-N 1 2 260.341 0.893 20 30 CCEDLO COC(=O)[C@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000516573606 390483766 /nfs/dbraw/zinc/48/37/66/390483766.db2.gz AFCPZGGITIZWFY-HUBLWGQQSA-N 1 2 295.383 0.926 20 30 CCEDLO Cc1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000566859456 390654488 /nfs/dbraw/zinc/65/44/88/390654488.db2.gz UIYJWELBBLKFJA-ZDUSSCGKSA-N 1 2 263.345 0.231 20 30 CCEDLO N#Cc1cnn2cc(C[NH2+]C(CF)CF)cnc12 ZINC000566915518 390658724 /nfs/dbraw/zinc/65/87/24/390658724.db2.gz KXUZETPSRMVWCW-UHFFFAOYSA-N 1 2 251.240 0.998 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CCC1 ZINC000527378102 390704905 /nfs/dbraw/zinc/70/49/05/390704905.db2.gz NHPHFMSXJKVDGN-GFCCVEGCSA-N 1 2 290.367 0.292 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CCC1 ZINC000527378102 390704907 /nfs/dbraw/zinc/70/49/07/390704907.db2.gz NHPHFMSXJKVDGN-GFCCVEGCSA-N 1 2 290.367 0.292 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000646680409 390707972 /nfs/dbraw/zinc/70/79/72/390707972.db2.gz GWFSALYMXWBKDR-YPMHNXCESA-N 1 2 291.351 0.470 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000568182451 390712696 /nfs/dbraw/zinc/71/26/96/390712696.db2.gz PKBABBCBBWPXBI-JTQLQIEISA-N 1 2 278.312 0.887 20 30 CCEDLO Cc1nc2ccnn2cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569931538 390716854 /nfs/dbraw/zinc/71/68/54/390716854.db2.gz BRFKBABHAJUNJN-CQSZACIVSA-N 1 2 286.339 0.611 20 30 CCEDLO COC(=O)[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569977494 390716911 /nfs/dbraw/zinc/71/69/11/390716911.db2.gz LNRDNVQMTHLBSD-SKDRFNHKSA-N 1 2 255.318 0.146 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#N)n1 ZINC000571282777 390728850 /nfs/dbraw/zinc/72/88/50/390728850.db2.gz XETAERXKVWGYOX-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#N)n1 ZINC000571282777 390728853 /nfs/dbraw/zinc/72/88/53/390728853.db2.gz XETAERXKVWGYOX-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000646614731 390700376 /nfs/dbraw/zinc/70/03/76/390700376.db2.gz ILEHFCNIASQUSK-GFCCVEGCSA-N 1 2 277.324 0.081 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](COCC)C2)C1=O ZINC000528732101 390772492 /nfs/dbraw/zinc/77/24/92/390772492.db2.gz NNUKDRMWVTZVBM-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](COCC)C2)C1=O ZINC000528732101 390772494 /nfs/dbraw/zinc/77/24/94/390772494.db2.gz NNUKDRMWVTZVBM-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528465704 390746787 /nfs/dbraw/zinc/74/67/87/390746787.db2.gz QQXICUNDHHQLHO-CYBMUJFWSA-N 1 2 279.384 0.841 20 30 CCEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528465704 390746789 /nfs/dbraw/zinc/74/67/89/390746789.db2.gz QQXICUNDHHQLHO-CYBMUJFWSA-N 1 2 279.384 0.841 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000532180340 390878694 /nfs/dbraw/zinc/87/86/94/390878694.db2.gz QUGFTHBCMZICGP-LLVKDONJSA-N 1 2 260.297 0.417 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000532180340 390878696 /nfs/dbraw/zinc/87/86/96/390878696.db2.gz QUGFTHBCMZICGP-LLVKDONJSA-N 1 2 260.297 0.417 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000577951010 390854570 /nfs/dbraw/zinc/85/45/70/390854570.db2.gz QWTNMVPDNLYLAX-CYBMUJFWSA-N 1 2 268.361 0.109 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000577951010 390854571 /nfs/dbraw/zinc/85/45/71/390854571.db2.gz QWTNMVPDNLYLAX-CYBMUJFWSA-N 1 2 268.361 0.109 20 30 CCEDLO C[C@@H](C#N)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000533600332 390885552 /nfs/dbraw/zinc/88/55/52/390885552.db2.gz VQXDRWBZTCUAKB-CMPLNLGQSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@@H](C#N)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000533600332 390885555 /nfs/dbraw/zinc/88/55/55/390885555.db2.gz VQXDRWBZTCUAKB-CMPLNLGQSA-N 1 2 251.330 0.468 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000578667216 390897650 /nfs/dbraw/zinc/89/76/50/390897650.db2.gz JVRMWLCQEQZAFU-JQWIXIFHSA-N 1 2 295.339 0.449 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000578667216 390897651 /nfs/dbraw/zinc/89/76/51/390897651.db2.gz JVRMWLCQEQZAFU-JQWIXIFHSA-N 1 2 295.339 0.449 20 30 CCEDLO COC(=O)C[N@H+](CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000347039681 533490718 /nfs/dbraw/zinc/49/07/18/533490718.db2.gz WHSZXUGXZWKYNM-UHFFFAOYSA-N 1 2 293.367 0.966 20 30 CCEDLO COC(=O)C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000347039681 533490720 /nfs/dbraw/zinc/49/07/20/533490720.db2.gz WHSZXUGXZWKYNM-UHFFFAOYSA-N 1 2 293.367 0.966 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000268706605 533499184 /nfs/dbraw/zinc/49/91/84/533499184.db2.gz SKVPLDSXENWZDR-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000268706605 533499188 /nfs/dbraw/zinc/49/91/88/533499188.db2.gz SKVPLDSXENWZDR-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000118395421 287131547 /nfs/dbraw/zinc/13/15/47/287131547.db2.gz CJHXEGIHXFLAMW-GWCFXTLKSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000118395421 287131548 /nfs/dbraw/zinc/13/15/48/287131548.db2.gz CJHXEGIHXFLAMW-GWCFXTLKSA-N 1 2 259.309 0.805 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2(C(=O)N(C)C)CC2)nn1 ZINC000653761993 412342992 /nfs/dbraw/zinc/34/29/92/412342992.db2.gz OWGRQISDFCVUBF-UHFFFAOYSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CCNC(C)=O)nn1 ZINC000653776229 412344866 /nfs/dbraw/zinc/34/48/66/412344866.db2.gz WANRQRKVTACRPS-UHFFFAOYSA-N 1 2 251.334 0.422 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CCNC(C)=O)nn1 ZINC000653776229 412344868 /nfs/dbraw/zinc/34/48/68/412344868.db2.gz WANRQRKVTACRPS-UHFFFAOYSA-N 1 2 251.334 0.422 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285722945 196378954 /nfs/dbraw/zinc/37/89/54/196378954.db2.gz XBCJTCHKEKSGJS-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285722945 196378956 /nfs/dbraw/zinc/37/89/56/196378956.db2.gz XBCJTCHKEKSGJS-LERXQTSPSA-N 1 2 289.335 0.577 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000662298536 414707907 /nfs/dbraw/zinc/70/79/07/414707907.db2.gz MWIFQFXHKKSMDD-OAHLLOKOSA-N 1 2 299.374 0.931 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000662298536 414707908 /nfs/dbraw/zinc/70/79/08/414707908.db2.gz MWIFQFXHKKSMDD-OAHLLOKOSA-N 1 2 299.374 0.931 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665379582 415624526 /nfs/dbraw/zinc/62/45/26/415624526.db2.gz SXLWMFXNLLPJGK-GXTWGEPZSA-N 1 2 268.357 0.247 20 30 CCEDLO CCS(=O)(=O)N1CC[N@H+](CCCC#N)[C@H](C)C1 ZINC000347318786 226130200 /nfs/dbraw/zinc/13/02/00/226130200.db2.gz QRGBRPKLMVQWHQ-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO CCS(=O)(=O)N1CC[N@@H+](CCCC#N)[C@H](C)C1 ZINC000347318786 226130204 /nfs/dbraw/zinc/13/02/04/226130204.db2.gz QRGBRPKLMVQWHQ-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C[C@@H](O)CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000354836351 227153800 /nfs/dbraw/zinc/15/38/00/227153800.db2.gz NIPVUORYBKEPAA-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@@H](O)CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000354836351 227153803 /nfs/dbraw/zinc/15/38/03/227153803.db2.gz NIPVUORYBKEPAA-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@@H](O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000354836351 227153808 /nfs/dbraw/zinc/15/38/08/227153808.db2.gz NIPVUORYBKEPAA-CQSZACIVSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@]1(C)CCCOC1 ZINC000329140978 227324035 /nfs/dbraw/zinc/32/40/35/227324035.db2.gz JWVOOOITVSFFIH-OCCSQVGLSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@]1(O)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330057668 228028274 /nfs/dbraw/zinc/02/82/74/228028274.db2.gz XUYPOHPIWXVWLT-MFKMUULPSA-N 1 2 264.329 0.569 20 30 CCEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000331611299 228114566 /nfs/dbraw/zinc/11/45/66/228114566.db2.gz FDPYECZMOVJGTN-RYUDHWBXSA-N 1 2 278.356 0.007 20 30 CCEDLO C[C@@H](CNC(=O)N1CCOCC2(CC2)C1)[NH+]1CCOCC1 ZINC000329358442 545022147 /nfs/dbraw/zinc/02/21/47/545022147.db2.gz BKROZFWPMPYEPI-ZDUSSCGKSA-N 1 2 297.399 0.734 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CCOCC2)C1 ZINC000329491583 545023176 /nfs/dbraw/zinc/02/31/76/545023176.db2.gz VNULNPMHNSWSON-CYBMUJFWSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CCOCC2)C1 ZINC000329491583 545023178 /nfs/dbraw/zinc/02/31/78/545023178.db2.gz VNULNPMHNSWSON-CYBMUJFWSA-N 1 2 284.404 0.162 20 30 CCEDLO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[NH+]1CCOCC1 ZINC000329899043 545027193 /nfs/dbraw/zinc/02/71/93/545027193.db2.gz FFOOKWFOYJZMBL-QMMMGPOBSA-N 1 2 271.342 0.874 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333207178 545038827 /nfs/dbraw/zinc/03/88/27/545038827.db2.gz SLGKCHYNYZVELS-RFGFWPKPSA-N 1 2 295.383 0.444 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333207178 545038829 /nfs/dbraw/zinc/03/88/29/545038829.db2.gz SLGKCHYNYZVELS-RFGFWPKPSA-N 1 2 295.383 0.444 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCOCC1)C1CC1 ZINC000363436608 260258528 /nfs/dbraw/zinc/25/85/28/260258528.db2.gz NIKCOFAYHQHRFE-CYBMUJFWSA-N 1 2 251.330 0.517 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(F)cc1 ZINC000078640085 260301311 /nfs/dbraw/zinc/30/13/11/260301311.db2.gz FGXIXGDHSLHGBF-UHFFFAOYSA-N 1 2 267.304 0.947 20 30 CCEDLO Cc1nc(C/C(N)=[NH+]/OCCCS(C)(=O)=O)cs1 ZINC000103136084 260609816 /nfs/dbraw/zinc/60/98/16/260609816.db2.gz WTQCQCCFLGBVIZ-UHFFFAOYSA-N 1 2 291.398 0.718 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052856318 261146700 /nfs/dbraw/zinc/14/67/00/261146700.db2.gz OXDPIRWTPVHFQG-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052856318 261146703 /nfs/dbraw/zinc/14/67/03/261146703.db2.gz OXDPIRWTPVHFQG-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO CC[C@@H](O[NH+]=C(N)c1ccc(OC)cc1)C(N)=O ZINC000159396311 261185537 /nfs/dbraw/zinc/18/55/37/261185537.db2.gz LEDORGVVAVXLJV-SNVBAGLBSA-N 1 2 251.286 0.596 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249109310 261246710 /nfs/dbraw/zinc/24/67/10/261246710.db2.gz AJHBGPSQRFLPDV-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249109310 261246711 /nfs/dbraw/zinc/24/67/11/261246711.db2.gz AJHBGPSQRFLPDV-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000361638429 261363985 /nfs/dbraw/zinc/36/39/85/261363985.db2.gz CDYBAWNDXVIQAN-UHFFFAOYSA-N 1 2 289.383 0.661 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCCC#N ZINC000413443991 262764611 /nfs/dbraw/zinc/76/46/11/262764611.db2.gz RWDUQWZECNNDPI-UHFFFAOYSA-N 1 2 268.361 0.700 20 30 CCEDLO COC(=O)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000274353894 263023420 /nfs/dbraw/zinc/02/34/20/263023420.db2.gz LGJFPWZKIHJQQT-UHFFFAOYSA-N 1 2 295.295 0.083 20 30 CCEDLO COc1cccc(CN(C)C(=O)CO[NH+]=C(N)CCO)c1 ZINC000275404490 263033103 /nfs/dbraw/zinc/03/31/03/263033103.db2.gz BMDDZKJSTGPXCV-UHFFFAOYSA-N 1 2 295.339 0.325 20 30 CCEDLO COc1cccc(C(N)=[NH+]OC[C@H]2CNC(=O)O2)c1 ZINC000282321921 263075985 /nfs/dbraw/zinc/07/59/85/263075985.db2.gz UGIRSBGZHWVUPP-SNVBAGLBSA-N 1 2 265.269 0.441 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000284543934 263087338 /nfs/dbraw/zinc/08/73/38/263087338.db2.gz VPYGZTKOSDOAKZ-LBPRGKRZSA-N 1 2 277.324 0.771 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)C)cc1OC ZINC000298780382 263225644 /nfs/dbraw/zinc/22/56/44/263225644.db2.gz XNSMMNQAQWQBCQ-UHFFFAOYSA-N 1 2 281.312 0.429 20 30 CCEDLO C#CCNC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000042357207 263290880 /nfs/dbraw/zinc/29/08/80/263290880.db2.gz SXELWVWFCPXASZ-MRVPVSSYSA-N 1 2 250.327 0.597 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000341456428 263336562 /nfs/dbraw/zinc/33/65/62/263336562.db2.gz AVZNIZSCYMLOGH-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000341798708 263350464 /nfs/dbraw/zinc/35/04/64/263350464.db2.gz CDXDSFFKQSCOMW-RDBSUJKOSA-N 1 2 299.415 0.579 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000341996024 263373543 /nfs/dbraw/zinc/37/35/43/263373543.db2.gz RKEPZRPWWVGLQN-UHFFFAOYSA-N 1 2 290.367 0.801 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000341987707 263381192 /nfs/dbraw/zinc/38/11/92/263381192.db2.gz HQGMKBPFJHMFES-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330426047 263936597 /nfs/dbraw/zinc/93/65/97/263936597.db2.gz SHIFMVURQFIYFF-CYBMUJFWSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330426047 263936598 /nfs/dbraw/zinc/93/65/98/263936598.db2.gz SHIFMVURQFIYFF-CYBMUJFWSA-N 1 2 299.415 0.980 20 30 CCEDLO Cc1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330756493 264030596 /nfs/dbraw/zinc/03/05/96/264030596.db2.gz KPAJFLJIPUIFIO-SNVBAGLBSA-N 1 2 266.345 0.754 20 30 CCEDLO Cc1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330756493 264030597 /nfs/dbraw/zinc/03/05/97/264030597.db2.gz KPAJFLJIPUIFIO-SNVBAGLBSA-N 1 2 266.345 0.754 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000330785984 264053194 /nfs/dbraw/zinc/05/31/94/264053194.db2.gz MMWLIEGIEVBODZ-OLZOCXBDSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000330785984 264053195 /nfs/dbraw/zinc/05/31/95/264053195.db2.gz MMWLIEGIEVBODZ-OLZOCXBDSA-N 1 2 278.356 0.752 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000330868698 264058312 /nfs/dbraw/zinc/05/83/12/264058312.db2.gz POTPCJHYFLGPNX-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000330868698 264058314 /nfs/dbraw/zinc/05/83/14/264058314.db2.gz POTPCJHYFLGPNX-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO C[C@H](CNC(=O)CCCC#N)[NH+]1CCN(C)CC1 ZINC000330908317 264074773 /nfs/dbraw/zinc/07/47/73/264074773.db2.gz WQYUWDDTFHXKIX-GFCCVEGCSA-N 1 2 252.362 0.432 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000330949390 264085370 /nfs/dbraw/zinc/08/53/70/264085370.db2.gz NKOPFFHFCNNDRU-JTQLQIEISA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000330949390 264085372 /nfs/dbraw/zinc/08/53/72/264085372.db2.gz NKOPFFHFCNNDRU-JTQLQIEISA-N 1 2 294.330 0.972 20 30 CCEDLO C[C@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CO1 ZINC000330986717 264103819 /nfs/dbraw/zinc/10/38/19/264103819.db2.gz LNPWJDIBUAPSKB-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CCCS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331129463 264148163 /nfs/dbraw/zinc/14/81/63/264148163.db2.gz PQWCPFVRNCHZRD-UHFFFAOYSA-N 1 2 284.385 0.433 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250149854 264251461 /nfs/dbraw/zinc/25/14/61/264251461.db2.gz WBSQXRWGWJIYPU-GHMZBOCLSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250149854 264251462 /nfs/dbraw/zinc/25/14/62/264251462.db2.gz WBSQXRWGWJIYPU-GHMZBOCLSA-N 1 2 283.372 0.886 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425400330 264289718 /nfs/dbraw/zinc/28/97/18/264289718.db2.gz FWQROPYDGVEUAJ-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCC#N ZINC000356374517 266104155 /nfs/dbraw/zinc/10/41/55/266104155.db2.gz NXCXZIBDRJEWGO-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCCCC#N ZINC000356374517 266104157 /nfs/dbraw/zinc/10/41/57/266104157.db2.gz NXCXZIBDRJEWGO-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO C=C[C@@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000356847016 266187374 /nfs/dbraw/zinc/18/73/74/266187374.db2.gz JQDUQSIIFBHWQV-UONOGXRCSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000356847018 266187578 /nfs/dbraw/zinc/18/75/78/266187578.db2.gz JQDUQSIIFBHWQV-ZIAGYGMSSA-N 1 2 284.400 0.787 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC#N ZINC000367802937 267118651 /nfs/dbraw/zinc/11/86/51/267118651.db2.gz FQEGFBLNYCHJIE-STQMWFEESA-N 1 2 280.372 0.795 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368881228 267210464 /nfs/dbraw/zinc/21/04/64/267210464.db2.gz XRVKTZPQAUANEG-JSGCOSHPSA-N 1 2 290.371 0.579 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368881228 267210467 /nfs/dbraw/zinc/21/04/67/267210467.db2.gz XRVKTZPQAUANEG-JSGCOSHPSA-N 1 2 290.371 0.579 20 30 CCEDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c(C#N)cn1 ZINC000399435821 267301341 /nfs/dbraw/zinc/30/13/41/267301341.db2.gz KLGFNQYBCSQLIX-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccnc(C#N)n1 ZINC000519642468 267784723 /nfs/dbraw/zinc/78/47/23/267784723.db2.gz CSVWRNSHLKSTMY-NEPJUHHUSA-N 1 2 273.340 0.648 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375622311 267879195 /nfs/dbraw/zinc/87/91/95/267879195.db2.gz CZDIKFGJYKBJDY-QWHCGFSZSA-N 1 2 288.413 0.687 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccn1 ZINC000530291188 268178675 /nfs/dbraw/zinc/17/86/75/268178675.db2.gz VBBQPVSZQRUWQA-NSHDSACASA-N 1 2 267.292 0.895 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(c3cnc(C#N)cn3)C2)CC1 ZINC000330007799 276199131 /nfs/dbraw/zinc/19/91/31/276199131.db2.gz DWOCQUVXSMHNAT-CQSZACIVSA-N 1 2 286.383 0.564 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2nc(C)ccc2C#N)CC1 ZINC000376454851 277000571 /nfs/dbraw/zinc/00/05/71/277000571.db2.gz NMIJCGYSWKNOIS-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2nc(C)ccc2C#N)CC1 ZINC000376454851 277000572 /nfs/dbraw/zinc/00/05/72/277000572.db2.gz NMIJCGYSWKNOIS-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1C#N ZINC000336087587 279335829 /nfs/dbraw/zinc/33/58/29/279335829.db2.gz LNLDEJZAWONNPF-LBPRGKRZSA-N 1 2 258.325 0.703 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1C#N ZINC000336087587 279335831 /nfs/dbraw/zinc/33/58/31/279335831.db2.gz LNLDEJZAWONNPF-LBPRGKRZSA-N 1 2 258.325 0.703 20 30 CCEDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000330046167 279375120 /nfs/dbraw/zinc/37/51/20/279375120.db2.gz DRCMTQDWDYRRAT-UHFFFAOYSA-N 1 2 275.316 0.512 20 30 CCEDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC000330046167 279375122 /nfs/dbraw/zinc/37/51/22/279375122.db2.gz DRCMTQDWDYRRAT-UHFFFAOYSA-N 1 2 275.316 0.512 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330310251 289231332 /nfs/dbraw/zinc/23/13/32/289231332.db2.gz UVCCVXZCSNELFB-PSASIEDQSA-N 1 2 252.318 0.408 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330310251 289231335 /nfs/dbraw/zinc/23/13/35/289231335.db2.gz UVCCVXZCSNELFB-PSASIEDQSA-N 1 2 252.318 0.408 20 30 CCEDLO CCN(CCC#N)CC(O)C[N@H+](CC)CCC#N ZINC000353481105 528372961 /nfs/dbraw/zinc/37/29/61/528372961.db2.gz QWPBHQWMPLCYJM-UHFFFAOYSA-N 1 2 252.362 0.818 20 30 CCEDLO CCN(CCC#N)CC(O)C[N@@H+](CC)CCC#N ZINC000353481105 528372968 /nfs/dbraw/zinc/37/29/68/528372968.db2.gz QWPBHQWMPLCYJM-UHFFFAOYSA-N 1 2 252.362 0.818 20 30 CCEDLO C=C(Br)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931639089 649011685 /nfs/dbraw/zinc/01/16/85/649011685.db2.gz HLJZGALZQPOCMV-SECBINFHSA-N 1 2 280.162 0.951 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931639089 649011689 /nfs/dbraw/zinc/01/16/89/649011689.db2.gz HLJZGALZQPOCMV-SECBINFHSA-N 1 2 280.162 0.951 20 30 CCEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220515 327979624 /nfs/dbraw/zinc/97/96/24/327979624.db2.gz PSPUYRFAMOIDNK-XHDPSFHLSA-N 1 2 289.383 0.800 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425289304 328099507 /nfs/dbraw/zinc/09/95/07/328099507.db2.gz CXMPGJXRFVHAQU-OCCSQVGLSA-N 1 2 270.373 0.398 20 30 CCEDLO C[C@H](Oc1ccccn1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573566494 327198408 /nfs/dbraw/zinc/19/84/08/327198408.db2.gz BXCDKQGXOHGRCL-SMDDNHRTSA-N 1 2 276.340 0.809 20 30 CCEDLO N#Cc1nc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[nH]c1C#N ZINC000583439593 327365694 /nfs/dbraw/zinc/36/56/94/327365694.db2.gz ZPRVYRGEXBVTLA-ZETCQYMHSA-N 1 2 296.294 0.205 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000562244259 327459450 /nfs/dbraw/zinc/45/94/50/327459450.db2.gz TZSJAYYLRCTJOY-AWEZNQCLSA-N 1 2 288.355 0.734 20 30 CCEDLO CCN(CCC#N)C(=O)CSCC[NH+]1CCOCC1 ZINC000160025384 327587248 /nfs/dbraw/zinc/58/72/48/327587248.db2.gz FNSPKNLCDFDEEI-UHFFFAOYSA-N 1 2 285.413 0.814 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355249275 328858904 /nfs/dbraw/zinc/85/89/04/328858904.db2.gz UKTQQTVECJGZLE-CYBMUJFWSA-N 1 2 265.357 0.907 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC(C)(C)O1 ZINC000582670268 329122745 /nfs/dbraw/zinc/12/27/45/329122745.db2.gz SWYVEDIWRFCLRA-MFKMUULPSA-N 1 2 253.346 0.904 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000176252706 329172904 /nfs/dbraw/zinc/17/29/04/329172904.db2.gz ZXHFJEBDJGKFBL-UHFFFAOYSA-N 1 2 292.383 0.303 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000176252706 329172906 /nfs/dbraw/zinc/17/29/06/329172906.db2.gz ZXHFJEBDJGKFBL-UHFFFAOYSA-N 1 2 292.383 0.303 20 30 CCEDLO C=C(C)CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180539779 329220432 /nfs/dbraw/zinc/22/04/32/329220432.db2.gz GUMZRFSGOZUWBW-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO CC#CCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000185028936 329264635 /nfs/dbraw/zinc/26/46/35/329264635.db2.gz KCHXXDIYLQTVOT-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000583215802 329371155 /nfs/dbraw/zinc/37/11/55/329371155.db2.gz YYAHLFQNLSMIOM-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000583215802 329371156 /nfs/dbraw/zinc/37/11/56/329371156.db2.gz YYAHLFQNLSMIOM-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1CC1 ZINC000274180673 330103693 /nfs/dbraw/zinc/10/36/93/330103693.db2.gz OUVODYRSUKKLDE-RISCZKNCSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1CC1 ZINC000274180673 330103694 /nfs/dbraw/zinc/10/36/94/330103694.db2.gz OUVODYRSUKKLDE-RISCZKNCSA-N 1 2 280.368 0.788 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)nn1 ZINC000424212418 330328677 /nfs/dbraw/zinc/32/86/77/330328677.db2.gz OTCGUEFHNFWSGA-SECBINFHSA-N 1 2 271.271 0.078 20 30 CCEDLO CC1(C)CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H]1C#N ZINC000444724763 330821943 /nfs/dbraw/zinc/82/19/43/330821943.db2.gz LEWVEJILUJHJHT-UONOGXRCSA-N 1 2 281.400 0.694 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@]2(C#N)C[C@H]2C)CCO1 ZINC000451239762 331021584 /nfs/dbraw/zinc/02/15/84/331021584.db2.gz GJCGXRWIWJRUCV-BZPMIXESSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)C[C@H]2C)CCO1 ZINC000451239762 331021585 /nfs/dbraw/zinc/02/15/85/331021585.db2.gz GJCGXRWIWJRUCV-BZPMIXESSA-N 1 2 265.357 0.763 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459567208 331288317 /nfs/dbraw/zinc/28/83/17/331288317.db2.gz KABRYWYQJJTPKV-UHFFFAOYSA-N 1 2 294.399 0.788 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459567208 331288318 /nfs/dbraw/zinc/28/83/18/331288318.db2.gz KABRYWYQJJTPKV-UHFFFAOYSA-N 1 2 294.399 0.788 20 30 CCEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000488571836 332018191 /nfs/dbraw/zinc/01/81/91/332018191.db2.gz YNVFCHLNPBANOG-UHFFFAOYSA-N 1 2 263.341 0.424 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000489263299 332044435 /nfs/dbraw/zinc/04/44/35/332044435.db2.gz KGLLKOWVMBTSNH-UHFFFAOYSA-N 1 2 278.443 0.921 20 30 CCEDLO C=C(C)COCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000490093995 332081084 /nfs/dbraw/zinc/08/10/84/332081084.db2.gz KJMJYLWFPSGJQN-UHFFFAOYSA-N 1 2 251.334 0.673 20 30 CCEDLO C=C(C)COCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000490093995 332081085 /nfs/dbraw/zinc/08/10/85/332081085.db2.gz KJMJYLWFPSGJQN-UHFFFAOYSA-N 1 2 251.334 0.673 20 30 CCEDLO C#CCN(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000490618319 332096202 /nfs/dbraw/zinc/09/62/02/332096202.db2.gz VVHHOCNWNQWJEY-STQMWFEESA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000490655758 332100245 /nfs/dbraw/zinc/10/02/45/332100245.db2.gz CANLTGUXPQPBDN-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+](CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490739079 332109978 /nfs/dbraw/zinc/10/99/78/332109978.db2.gz GHMYVBUHBIODQH-SNVBAGLBSA-N 1 2 281.324 0.390 20 30 CCEDLO C#CC[N@H+](CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490739079 332109980 /nfs/dbraw/zinc/10/99/80/332109980.db2.gz GHMYVBUHBIODQH-SNVBAGLBSA-N 1 2 281.324 0.390 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NCc1ccccc1 ZINC000490840655 332119577 /nfs/dbraw/zinc/11/95/77/332119577.db2.gz PHZGFAJQAUZYLK-UHFFFAOYSA-N 1 2 297.358 0.971 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NCc1ccccc1 ZINC000490840655 332119578 /nfs/dbraw/zinc/11/95/78/332119578.db2.gz PHZGFAJQAUZYLK-UHFFFAOYSA-N 1 2 297.358 0.971 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)CCn2cncn2)n1 ZINC000491149160 332157153 /nfs/dbraw/zinc/15/71/53/332157153.db2.gz ZBMLQDPXSBDZFW-UHFFFAOYSA-N 1 2 288.355 0.256 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)CCn2cncn2)n1 ZINC000491149160 332157155 /nfs/dbraw/zinc/15/71/55/332157155.db2.gz ZBMLQDPXSBDZFW-UHFFFAOYSA-N 1 2 288.355 0.256 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000491153672 332157465 /nfs/dbraw/zinc/15/74/65/332157465.db2.gz CAHMHAGZBHVMJR-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491242713 332173195 /nfs/dbraw/zinc/17/31/95/332173195.db2.gz RVTWHGBTHIGKIW-NWDGAFQWSA-N 1 2 259.371 0.126 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491242713 332173197 /nfs/dbraw/zinc/17/31/97/332173197.db2.gz RVTWHGBTHIGKIW-NWDGAFQWSA-N 1 2 259.371 0.126 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000491285621 332180890 /nfs/dbraw/zinc/18/08/90/332180890.db2.gz DKYXJUVVFGOMBB-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000491285621 332180891 /nfs/dbraw/zinc/18/08/91/332180891.db2.gz DKYXJUVVFGOMBB-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000491506074 332224971 /nfs/dbraw/zinc/22/49/71/332224971.db2.gz OIADTXOXIPBAQL-OAHLLOKOSA-N 1 2 281.375 0.588 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000491506074 332224973 /nfs/dbraw/zinc/22/49/73/332224973.db2.gz OIADTXOXIPBAQL-OAHLLOKOSA-N 1 2 281.375 0.588 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C(C)(C)[C@H]2C2CC2)CC1 ZINC000491675263 332280720 /nfs/dbraw/zinc/28/07/20/332280720.db2.gz YZYGUZUIPMMKNK-CQSZACIVSA-N 1 2 275.396 0.842 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@](C)(CC)CC2=O)CC1 ZINC000491692822 332289428 /nfs/dbraw/zinc/28/94/28/332289428.db2.gz BUXFUZJURFTNMM-HNNXBMFYSA-N 1 2 263.385 0.843 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491716510 332306453 /nfs/dbraw/zinc/30/64/53/332306453.db2.gz NSLZNTODODRCJT-LBPRGKRZSA-N 1 2 286.322 0.824 20 30 CCEDLO C#C[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491730201 332312191 /nfs/dbraw/zinc/31/21/91/332312191.db2.gz HIDOYVIGENUORJ-JTQLQIEISA-N 1 2 255.281 0.804 20 30 CCEDLO C#CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491734939 332315400 /nfs/dbraw/zinc/31/54/00/332315400.db2.gz TYCONDBUERUHQG-UHFFFAOYSA-N 1 2 275.333 0.843 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491740344 332319369 /nfs/dbraw/zinc/31/93/69/332319369.db2.gz JTDWGNKKPLQUAJ-LBPRGKRZSA-N 1 2 265.357 0.562 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000491752125 332328193 /nfs/dbraw/zinc/32/81/93/332328193.db2.gz ZASHFGQFEUTYIK-VIFPVBQESA-N 1 2 251.286 0.098 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(CCC)C1=O ZINC000491752125 332328194 /nfs/dbraw/zinc/32/81/94/332328194.db2.gz ZASHFGQFEUTYIK-VIFPVBQESA-N 1 2 251.286 0.098 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000491821346 332370652 /nfs/dbraw/zinc/37/06/52/332370652.db2.gz VQIXKNDVUCPTMP-HUUCEWRRSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000491821346 332370654 /nfs/dbraw/zinc/37/06/54/332370654.db2.gz VQIXKNDVUCPTMP-HUUCEWRRSA-N 1 2 291.395 0.017 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(-n2cccn2)c1 ZINC000575805589 335117415 /nfs/dbraw/zinc/11/74/15/335117415.db2.gz MJEVQWCLJJAGIQ-HNNXBMFYSA-N 1 2 298.350 0.841 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007923779 333103454 /nfs/dbraw/zinc/10/34/54/333103454.db2.gz KLGYUKCCUYNIHD-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007923779 333103455 /nfs/dbraw/zinc/10/34/55/333103455.db2.gz KLGYUKCCUYNIHD-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000521831196 333192028 /nfs/dbraw/zinc/19/20/28/333192028.db2.gz UYUDRAQJEFQESP-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[N@H+](CCN1CCCC1=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000522163418 333254264 /nfs/dbraw/zinc/25/42/64/333254264.db2.gz HPGFCQBASNZRRP-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000522163418 333254265 /nfs/dbraw/zinc/25/42/65/333254265.db2.gz HPGFCQBASNZRRP-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCN(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1=O ZINC000236658112 333374329 /nfs/dbraw/zinc/37/43/29/333374329.db2.gz DVNWKDNRNGYPRQ-UHFFFAOYSA-N 1 2 287.363 0.633 20 30 CCEDLO C=CCNC(=O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000539719249 333687060 /nfs/dbraw/zinc/68/70/60/333687060.db2.gz ANKWYGRQTSUOCR-UHFFFAOYSA-N 1 2 262.313 0.544 20 30 CCEDLO C#CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000074276876 334000707 /nfs/dbraw/zinc/00/07/07/334000707.db2.gz OXFQXYOYDOBKIW-HNNXBMFYSA-N 1 2 287.363 0.992 20 30 CCEDLO CCOC(=O)C[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000083250117 334256388 /nfs/dbraw/zinc/25/63/88/334256388.db2.gz YPCJFAVVOLKKIF-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO CCOC(=O)C[N@@H+](CC(=O)NCC#N)C1CCCC1 ZINC000083250117 334256389 /nfs/dbraw/zinc/25/63/89/334256389.db2.gz YPCJFAVVOLKKIF-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO C[C@@H](NC(=O)NC[C@H](C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000248463670 334303084 /nfs/dbraw/zinc/30/30/84/334303084.db2.gz YZVUVPLBBDAFRR-UTUOFQBUSA-N 1 2 268.361 0.554 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249542959 334336029 /nfs/dbraw/zinc/33/60/29/334336029.db2.gz FLPXEDGWHKQCFC-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249542959 334336031 /nfs/dbraw/zinc/33/60/31/334336031.db2.gz FLPXEDGWHKQCFC-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOC[C@H]1CCCO1 ZINC000566309930 334642218 /nfs/dbraw/zinc/64/22/18/334642218.db2.gz YCKFJFUWLJCVRL-OCCSQVGLSA-N 1 2 283.372 0.532 20 30 CCEDLO CCc1ocnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309778 334642317 /nfs/dbraw/zinc/64/23/17/334642317.db2.gz SJGJIIDSIAWBGT-LBPRGKRZSA-N 1 2 250.302 0.811 20 30 CCEDLO C[C@H](OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1nccn1C ZINC000568518373 334828477 /nfs/dbraw/zinc/82/84/77/334828477.db2.gz BJBWPVSQAYHPGW-FZMZJTMJSA-N 1 2 293.371 0.458 20 30 CCEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](CO)O1 ZINC000576646900 335230539 /nfs/dbraw/zinc/23/05/39/335230539.db2.gz MRSGVFGMRRRSMJ-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](CO)O1 ZINC000576646900 335230541 /nfs/dbraw/zinc/23/05/41/335230541.db2.gz MRSGVFGMRRRSMJ-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000579719229 335872770 /nfs/dbraw/zinc/87/27/70/335872770.db2.gz QIUNCLBOLCZSKR-WGBDABJCSA-N 1 2 253.346 0.760 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000194895913 336040257 /nfs/dbraw/zinc/04/02/57/336040257.db2.gz WAQFKNVUNIJUPT-GFCCVEGCSA-N 1 2 278.308 0.403 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000194895913 336040256 /nfs/dbraw/zinc/04/02/56/336040256.db2.gz WAQFKNVUNIJUPT-GFCCVEGCSA-N 1 2 278.308 0.403 20 30 CCEDLO C=CCNC(=O)CN1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000581320972 336048660 /nfs/dbraw/zinc/04/86/60/336048660.db2.gz UFBWMZHPYJNPIN-UHFFFAOYSA-N 1 2 289.383 0.518 20 30 CCEDLO Cc1cc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000581425650 336075269 /nfs/dbraw/zinc/07/52/69/336075269.db2.gz RWDNNEXFQJUTGZ-XHDPSFHLSA-N 1 2 299.334 0.474 20 30 CCEDLO C[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000330248030 534032321 /nfs/dbraw/zinc/03/23/21/534032321.db2.gz MAHIGJPWIXYNMG-GHMZBOCLSA-N 1 2 253.346 0.763 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(C#N)CC1 ZINC000569826008 518195788 /nfs/dbraw/zinc/19/57/88/518195788.db2.gz YUHXZGUYLBEAFE-UHFFFAOYSA-N 1 2 257.301 0.516 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339954377 525123657 /nfs/dbraw/zinc/12/36/57/525123657.db2.gz DPBUIEFXIOMSCF-SNVBAGLBSA-N 1 2 263.297 0.602 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)o1 ZINC000339954377 525123666 /nfs/dbraw/zinc/12/36/66/525123666.db2.gz DPBUIEFXIOMSCF-SNVBAGLBSA-N 1 2 263.297 0.602 20 30 CCEDLO C=CCOCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665737782 545106414 /nfs/dbraw/zinc/10/64/14/545106414.db2.gz DEYIAOWOCCWUBH-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000330603714 526615130 /nfs/dbraw/zinc/61/51/30/526615130.db2.gz GDHNMXGLFYDFKF-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)CC1 ZINC000330603714 526615138 /nfs/dbraw/zinc/61/51/38/526615138.db2.gz GDHNMXGLFYDFKF-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000347961466 526756353 /nfs/dbraw/zinc/75/63/53/526756353.db2.gz AJIIRSOTZNGHIL-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000666429069 545122845 /nfs/dbraw/zinc/12/28/45/545122845.db2.gz FSVSVVKCIZVQJQ-TZMCWYRMSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000666517779 545124739 /nfs/dbraw/zinc/12/47/39/545124739.db2.gz QMYZQGTZGWLJCG-AWEZNQCLSA-N 1 2 299.415 0.941 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000330145221 527721298 /nfs/dbraw/zinc/72/12/98/527721298.db2.gz SCHQNWUADXCTHB-ZDUSSCGKSA-N 1 2 295.383 0.675 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000330145221 527721300 /nfs/dbraw/zinc/72/13/00/527721300.db2.gz SCHQNWUADXCTHB-ZDUSSCGKSA-N 1 2 295.383 0.675 20 30 CCEDLO C=CCn1c(COC)nnc1N(C)CC[NH+]1CCOCC1 ZINC000669808149 545221453 /nfs/dbraw/zinc/22/14/53/545221453.db2.gz GDOCCINGCTXRHN-UHFFFAOYSA-N 1 2 295.387 0.379 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000677132862 545358136 /nfs/dbraw/zinc/35/81/36/545358136.db2.gz VWQZNKFZLACCJD-UHFFFAOYSA-N 1 2 252.358 0.827 20 30 CCEDLO COCC#CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000677816808 545373260 /nfs/dbraw/zinc/37/32/60/545373260.db2.gz AZTGDOCCXIBDFK-UHFFFAOYSA-N 1 2 262.357 0.188 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000677816808 545373261 /nfs/dbraw/zinc/37/32/61/545373261.db2.gz AZTGDOCCXIBDFK-UHFFFAOYSA-N 1 2 262.357 0.188 20 30 CCEDLO CCCCNC(=O)C[NH+]1CCN(CC#CCOC)CC1 ZINC000677817357 545373401 /nfs/dbraw/zinc/37/34/01/545373401.db2.gz OLSOWNKACPYTTK-UHFFFAOYSA-N 1 2 281.400 0.170 20 30 CCEDLO CCCCNC(=O)CN1CC[NH+](CC#CCOC)CC1 ZINC000677817357 545373402 /nfs/dbraw/zinc/37/34/02/545373402.db2.gz OLSOWNKACPYTTK-UHFFFAOYSA-N 1 2 281.400 0.170 20 30 CCEDLO COCCCC=NNC(=S)NCC[NH+]1CCOCC1 ZINC000777421329 581115067 /nfs/dbraw/zinc/11/50/67/581115067.db2.gz SXFNDHAPVSHYOQ-UHFFFAOYSA-N 1 2 288.417 0.195 20 30 CCEDLO C=C(CO)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000791317951 581214700 /nfs/dbraw/zinc/21/47/00/581214700.db2.gz ULKPWZRPBZUYTR-UHFFFAOYSA-N 1 2 261.325 0.847 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000791423139 581221074 /nfs/dbraw/zinc/22/10/74/581221074.db2.gz RNAJXUMFXFPICM-ZDUSSCGKSA-N 1 2 288.413 0.118 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382462 581185639 /nfs/dbraw/zinc/18/56/39/581185639.db2.gz BJYMBQFMGWGOHA-YRGRVCCFSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382462 581185640 /nfs/dbraw/zinc/18/56/40/581185640.db2.gz BJYMBQFMGWGOHA-YRGRVCCFSA-N 1 2 281.356 0.285 20 30 CCEDLO N#Cc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000780623696 581237490 /nfs/dbraw/zinc/23/74/90/581237490.db2.gz XHDRPHKBTLFUSS-LBPRGKRZSA-N 1 2 296.334 0.964 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000780986795 581254518 /nfs/dbraw/zinc/25/45/18/581254518.db2.gz QDLQESVFWZTGIG-IUODEOHRSA-N 1 2 296.330 0.988 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000780986795 581254520 /nfs/dbraw/zinc/25/45/20/581254520.db2.gz QDLQESVFWZTGIG-IUODEOHRSA-N 1 2 296.330 0.988 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000781932603 581280771 /nfs/dbraw/zinc/28/07/71/581280771.db2.gz ANAXVFJCZZOMFD-WDEREUQCSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000781932603 581280772 /nfs/dbraw/zinc/28/07/72/581280772.db2.gz ANAXVFJCZZOMFD-WDEREUQCSA-N 1 2 254.334 0.166 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000793728618 581309554 /nfs/dbraw/zinc/30/95/54/581309554.db2.gz RNLWJFJHSUUUIN-UHFFFAOYSA-N 1 2 276.340 0.309 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000727493224 581321676 /nfs/dbraw/zinc/32/16/76/581321676.db2.gz FVHACQXSBAXKTH-UHFFFAOYSA-N 1 2 282.294 0.749 20 30 CCEDLO C=CCS(=O)(=O)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000782963410 581329275 /nfs/dbraw/zinc/32/92/75/581329275.db2.gz JBWOGLQMDPCUHN-UHFFFAOYSA-N 1 2 293.352 0.675 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(SC)s1 ZINC000783869213 581366352 /nfs/dbraw/zinc/36/63/52/581366352.db2.gz KEBZUDNKPCTMBB-VIFPVBQESA-N 1 2 296.421 0.974 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(SC)s1 ZINC000783869213 581366353 /nfs/dbraw/zinc/36/63/53/581366353.db2.gz KEBZUDNKPCTMBB-VIFPVBQESA-N 1 2 296.421 0.974 20 30 CCEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@@]2(CCOC2)O1 ZINC000794705985 581384242 /nfs/dbraw/zinc/38/42/42/581384242.db2.gz PHAGONMVIFVNRL-IUODEOHRSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@@]2(CCOC2)O1 ZINC000794705985 581384244 /nfs/dbraw/zinc/38/42/44/581384244.db2.gz PHAGONMVIFVNRL-IUODEOHRSA-N 1 2 289.335 0.557 20 30 CCEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784848980 581395991 /nfs/dbraw/zinc/39/59/91/581395991.db2.gz QVJZFWCKLVOOEN-VIFPVBQESA-N 1 2 274.324 0.532 20 30 CCEDLO C#CCOc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000785617857 581413589 /nfs/dbraw/zinc/41/35/89/581413589.db2.gz XISVJSHHUAVREX-UHFFFAOYSA-N 1 2 257.297 0.512 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC)C(=O)C1 ZINC000787482770 581471156 /nfs/dbraw/zinc/47/11/56/581471156.db2.gz CEEQMGRHTCEDEL-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC)C(=O)C1 ZINC000787482770 581471157 /nfs/dbraw/zinc/47/11/57/581471157.db2.gz CEEQMGRHTCEDEL-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO C[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)CCC#N ZINC000765993580 581545562 /nfs/dbraw/zinc/54/55/62/581545562.db2.gz OVRNFRRGFZWOJV-GFCCVEGCSA-N 1 2 297.428 0.708 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cn1 ZINC000729448922 581594088 /nfs/dbraw/zinc/59/40/88/581594088.db2.gz GLLWPFVCBMKXBG-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCC(=O)NC(C)(C)C ZINC000739913844 581634425 /nfs/dbraw/zinc/63/44/25/581634425.db2.gz BNDROBBMFRQGMR-UHFFFAOYSA-N 1 2 296.415 0.889 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCC(=O)NC(C)(C)C ZINC000739913844 581634429 /nfs/dbraw/zinc/63/44/29/581634429.db2.gz BNDROBBMFRQGMR-UHFFFAOYSA-N 1 2 296.415 0.889 20 30 CCEDLO CC#CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000735450520 581648195 /nfs/dbraw/zinc/64/81/95/581648195.db2.gz ZRMFWMSARKDPGG-UHFFFAOYSA-N 1 2 283.339 0.407 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000741750716 581761276 /nfs/dbraw/zinc/76/12/76/581761276.db2.gz YKDYKEUCJQWOKT-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C#CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000742790304 581796037 /nfs/dbraw/zinc/79/60/37/581796037.db2.gz AQSUKKJXFYFAJN-UHFFFAOYSA-N 1 2 255.281 0.806 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C)c2CC)CC1 ZINC000744422489 581841944 /nfs/dbraw/zinc/84/19/44/581841944.db2.gz XUMRPCAPJKXALZ-UHFFFAOYSA-N 1 2 260.341 0.374 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000744422226 581842183 /nfs/dbraw/zinc/84/21/83/581842183.db2.gz BVIXQUDPEKYHJP-CQSZACIVSA-N 1 2 291.395 0.268 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000732768271 581846883 /nfs/dbraw/zinc/84/68/83/581846883.db2.gz JTDLHDGBVDFJPE-HXPMCKFVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000732768271 581846885 /nfs/dbraw/zinc/84/68/85/581846885.db2.gz JTDLHDGBVDFJPE-HXPMCKFVSA-N 1 2 284.425 0.747 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000745079974 581864339 /nfs/dbraw/zinc/86/43/39/581864339.db2.gz OFAMNYOORODYRW-SWLSCSKDSA-N 1 2 293.367 0.822 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000745079974 581864340 /nfs/dbraw/zinc/86/43/40/581864340.db2.gz OFAMNYOORODYRW-SWLSCSKDSA-N 1 2 293.367 0.822 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]2C(F)F)CC1 ZINC000761117141 581889615 /nfs/dbraw/zinc/88/96/15/581889615.db2.gz IOLVRTHLLWXBGW-LBPRGKRZSA-N 1 2 285.338 0.493 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COC2(C)CCC2)CC1 ZINC000746160730 581895976 /nfs/dbraw/zinc/89/59/76/581895976.db2.gz JKHAIJBIOREDNH-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO CC[N@H+](CC(=O)NC)CC(=O)NCc1ccc(C#N)cc1 ZINC000746651799 581921798 /nfs/dbraw/zinc/92/17/98/581921798.db2.gz UWEXXYHDWBYDQD-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC[N@@H+](CC(=O)NC)CC(=O)NCc1ccc(C#N)cc1 ZINC000746651799 581921800 /nfs/dbraw/zinc/92/18/00/581921800.db2.gz UWEXXYHDWBYDQD-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000762174720 581934092 /nfs/dbraw/zinc/93/40/92/581934092.db2.gz ZMTIEAIDKDENTL-MNOVXSKESA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCN1CC(=O)N([C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000762174720 581934093 /nfs/dbraw/zinc/93/40/93/581934093.db2.gz ZMTIEAIDKDENTL-MNOVXSKESA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000762174723 581934377 /nfs/dbraw/zinc/93/43/77/581934377.db2.gz ZMTIEAIDKDENTL-QWRGUYRKSA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000762174723 581934380 /nfs/dbraw/zinc/93/43/80/581934380.db2.gz ZMTIEAIDKDENTL-QWRGUYRKSA-N 1 2 267.329 0.156 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000747381414 581938509 /nfs/dbraw/zinc/93/85/09/581938509.db2.gz QNRLSMIFSAUWIJ-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000747381414 581938510 /nfs/dbraw/zinc/93/85/10/581938510.db2.gz QNRLSMIFSAUWIJ-AWEZNQCLSA-N 1 2 272.348 0.875 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)[C@H]1CCCO1 ZINC000775795202 582039372 /nfs/dbraw/zinc/03/93/72/582039372.db2.gz VBSXKHJVVFEMOH-LSDHHAIUSA-N 1 2 297.362 0.992 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000775800097 582040089 /nfs/dbraw/zinc/04/00/89/582040089.db2.gz QTLSDMNFBQQDOC-QWRGUYRKSA-N 1 2 287.323 0.339 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000775804484 582040418 /nfs/dbraw/zinc/04/04/18/582040418.db2.gz AAZRUEIZKMFUBN-RRFJBIMHSA-N 1 2 283.331 0.855 20 30 CCEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nncs1)[C@@H]1CCCO1 ZINC000775806468 582041011 /nfs/dbraw/zinc/04/10/11/582041011.db2.gz LPAMVZKWUMZKBV-BDAKNGLRSA-N 1 2 266.326 0.247 20 30 CCEDLO C#CCOCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000764887174 582074589 /nfs/dbraw/zinc/07/45/89/582074589.db2.gz OQTLDNNGJWBCNR-CYBMUJFWSA-N 1 2 290.367 0.890 20 30 CCEDLO C#CCOCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000764887174 582074590 /nfs/dbraw/zinc/07/45/90/582074590.db2.gz OQTLDNNGJWBCNR-CYBMUJFWSA-N 1 2 290.367 0.890 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@H](n3cncn3)C2)c(=O)c1C#N ZINC000776774602 582090736 /nfs/dbraw/zinc/09/07/36/582090736.db2.gz CZIJOHYPZFEBEA-LBPRGKRZSA-N 1 2 284.323 0.524 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@H](n3cncn3)C2)c(=O)c1C#N ZINC000776774602 582090738 /nfs/dbraw/zinc/09/07/38/582090738.db2.gz CZIJOHYPZFEBEA-LBPRGKRZSA-N 1 2 284.323 0.524 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957780240 613235436 /nfs/dbraw/zinc/23/54/36/613235436.db2.gz NQIFUPYFVCCOLX-NXEZZACHSA-N 1 2 277.162 0.324 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957780240 613235434 /nfs/dbraw/zinc/23/54/34/613235434.db2.gz NQIFUPYFVCCOLX-NXEZZACHSA-N 1 2 277.162 0.324 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000853774754 613016824 /nfs/dbraw/zinc/01/68/24/613016824.db2.gz NJPYLQBZECXNNY-OLZOCXBDSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000853774754 613016826 /nfs/dbraw/zinc/01/68/26/613016826.db2.gz NJPYLQBZECXNNY-OLZOCXBDSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869499149 613018774 /nfs/dbraw/zinc/01/87/74/613018774.db2.gz WRKBGHWHNJDOQJ-SDQPKGBYSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931953694 612950320 /nfs/dbraw/zinc/95/03/20/612950320.db2.gz RAKUEDPUMSELHA-ONGXEEELSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931953694 612950322 /nfs/dbraw/zinc/95/03/22/612950322.db2.gz RAKUEDPUMSELHA-ONGXEEELSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000931149488 612952425 /nfs/dbraw/zinc/95/24/25/612952425.db2.gz KKOWHECTHHPYEG-UHFFFAOYSA-N 1 2 260.341 0.648 20 30 CCEDLO C#CCCS(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819900788 613051957 /nfs/dbraw/zinc/05/19/57/613051957.db2.gz JBSOFWJAMZBTCE-UHFFFAOYSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OC ZINC000877583986 613071191 /nfs/dbraw/zinc/07/11/91/613071191.db2.gz WFUMCSWVHDDFKS-WOPDTQHZSA-N 1 2 266.341 0.588 20 30 CCEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000880482874 612973178 /nfs/dbraw/zinc/97/31/78/612973178.db2.gz UDQAXJFTGHITAF-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000880483424 612974210 /nfs/dbraw/zinc/97/42/10/612974210.db2.gz CDSXJYVZESWTFT-NSHDSACASA-N 1 2 275.356 0.919 20 30 CCEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875239208 612980054 /nfs/dbraw/zinc/98/00/54/612980054.db2.gz ABCQOHCMYSHMNF-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875239208 612980055 /nfs/dbraw/zinc/98/00/55/612980055.db2.gz ABCQOHCMYSHMNF-OAHLLOKOSA-N 1 2 299.374 0.819 20 30 CCEDLO C#CCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933690553 612982374 /nfs/dbraw/zinc/98/23/74/612982374.db2.gz HSDPKSJLTSHKKO-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000851945936 612983508 /nfs/dbraw/zinc/98/35/08/612983508.db2.gz HJSJSIIHZVROHJ-UHFFFAOYSA-N 1 2 267.373 0.762 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cn1cc(C(=O)OCC)cn1 ZINC000853620738 612989747 /nfs/dbraw/zinc/98/97/47/612989747.db2.gz BYYFRUCHOVVZDL-UHFFFAOYSA-N 1 2 279.340 0.989 20 30 CCEDLO C#CCC[N@H+](CCOC)Cn1cc(C(=O)OCC)cn1 ZINC000853620738 612989748 /nfs/dbraw/zinc/98/97/48/612989748.db2.gz BYYFRUCHOVVZDL-UHFFFAOYSA-N 1 2 279.340 0.989 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000950469491 612991977 /nfs/dbraw/zinc/99/19/77/612991977.db2.gz GGNNFGMUXUMMNA-UHFFFAOYSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CCONC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000855606744 612992225 /nfs/dbraw/zinc/99/22/25/612992225.db2.gz PJPLYYUTCQVHDF-UHFFFAOYSA-N 1 2 287.363 0.880 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3nccn3c2)C1 ZINC000950882934 612992916 /nfs/dbraw/zinc/99/29/16/612992916.db2.gz WBIFUNHZQNSOOZ-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nc3ncccn3n2)C1 ZINC000956977193 612993341 /nfs/dbraw/zinc/99/33/41/612993341.db2.gz KXPRZYIZEYBLEI-UHFFFAOYSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000823051338 612999117 /nfs/dbraw/zinc/99/91/17/612999117.db2.gz YKIKFWRDVABHQB-LLVKDONJSA-N 1 2 260.293 0.710 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2OC)CC1 ZINC000865086177 613011204 /nfs/dbraw/zinc/01/12/04/613011204.db2.gz VWAUPIKPZIEXRP-UHFFFAOYSA-N 1 2 273.336 0.871 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C)cc2Cl)CC1 ZINC000859002909 613011257 /nfs/dbraw/zinc/01/12/57/613011257.db2.gz BGIKIECJSSZKAY-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(=C)C)CC1 ZINC000797822057 613011930 /nfs/dbraw/zinc/01/19/30/613011930.db2.gz LSAPZJKXIRGBSX-UHFFFAOYSA-N 1 2 256.371 0.533 20 30 CCEDLO C#CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925583527 613047316 /nfs/dbraw/zinc/04/73/16/613047316.db2.gz FNQNZFGHGMFCDN-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869499148 613049067 /nfs/dbraw/zinc/04/90/67/613049067.db2.gz WRKBGHWHNJDOQJ-KXQLTZBTSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCCOC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000858914895 613050445 /nfs/dbraw/zinc/05/04/45/613050445.db2.gz FUEUDVPXWOCYKH-CQSZACIVSA-N 1 2 298.408 0.944 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859031188 613061218 /nfs/dbraw/zinc/06/12/18/613061218.db2.gz FKMIXGGUGIOLQI-CYBMUJFWSA-N 1 2 278.356 0.953 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875928398 613063228 /nfs/dbraw/zinc/06/32/28/613063228.db2.gz RCIJFIFCSMAYKJ-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875928398 613063229 /nfs/dbraw/zinc/06/32/29/613063229.db2.gz RCIJFIFCSMAYKJ-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)OC ZINC000844146367 613069764 /nfs/dbraw/zinc/06/97/64/613069764.db2.gz KNPKHGCFFAUQNK-JQWIXIFHSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC000834706083 613078339 /nfs/dbraw/zinc/07/83/39/613078339.db2.gz ZVFXYHCDNQZRKU-UHFFFAOYSA-N 1 2 271.324 0.831 20 30 CCEDLO C#CCN(CC)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906393939 613106581 /nfs/dbraw/zinc/10/65/81/613106581.db2.gz GBRCXPGCSMKJLR-UHFFFAOYSA-N 1 2 289.379 0.916 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCC(=O)NCC(C)C ZINC000852161043 613111657 /nfs/dbraw/zinc/11/16/57/613111657.db2.gz CPCVWAVWUDQCSN-CYBMUJFWSA-N 1 2 252.358 0.873 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(=O)NCC(C)C ZINC000852161043 613111658 /nfs/dbraw/zinc/11/16/58/613111658.db2.gz CPCVWAVWUDQCSN-CYBMUJFWSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC000941306311 613115663 /nfs/dbraw/zinc/11/56/63/613115663.db2.gz NRPBDVXXRWQFEF-HNNXBMFYSA-N 1 2 287.407 0.804 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820399250 613117212 /nfs/dbraw/zinc/11/72/12/613117212.db2.gz CIPINPILTAQTLR-SDDRHHMPSA-N 1 2 251.330 0.171 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000820399250 613117215 /nfs/dbraw/zinc/11/72/15/613117215.db2.gz CIPINPILTAQTLR-SDDRHHMPSA-N 1 2 251.330 0.171 20 30 CCEDLO C#C[C@H](CC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907717333 613119283 /nfs/dbraw/zinc/11/92/83/613119283.db2.gz ZMIDUGONQNWDCR-KXXVWKPMSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C3=NC(=O)N(C)C3)C2)C1 ZINC000981987268 613144827 /nfs/dbraw/zinc/14/48/27/613144827.db2.gz ZHPSYHIZYOUDKU-UHFFFAOYSA-N 1 2 288.351 0.297 20 30 CCEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C3=NC(=O)N(C)C3)C2)C1 ZINC000981987268 613144829 /nfs/dbraw/zinc/14/48/29/613144829.db2.gz ZHPSYHIZYOUDKU-UHFFFAOYSA-N 1 2 288.351 0.297 20 30 CCEDLO C#C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000882199576 613151581 /nfs/dbraw/zinc/15/15/81/613151581.db2.gz RPTRWDLFHAQSMT-NSHDSACASA-N 1 2 269.370 0.850 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)c2cnn(CC)c2)C1 ZINC000902729814 613164806 /nfs/dbraw/zinc/16/48/06/613164806.db2.gz NYLQNADUFAVPLU-CYBMUJFWSA-N 1 2 288.351 0.300 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)c2cnn(CC)c2)C1 ZINC000902729814 613164809 /nfs/dbraw/zinc/16/48/09/613164809.db2.gz NYLQNADUFAVPLU-CYBMUJFWSA-N 1 2 288.351 0.300 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(=O)CC[C@H]2C)C1 ZINC000924036641 613166956 /nfs/dbraw/zinc/16/69/56/613166956.db2.gz OEVXPSGHOLNIGJ-CHWSQXEVSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(=O)CC[C@H]2C)C1 ZINC000924036641 613166958 /nfs/dbraw/zinc/16/69/58/613166958.db2.gz OEVXPSGHOLNIGJ-CHWSQXEVSA-N 1 2 277.368 0.847 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCO)C2)cn1 ZINC000957289695 613167120 /nfs/dbraw/zinc/16/71/20/613167120.db2.gz DTANSKPSMOGVLX-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C=O)n(C)c2)C1 ZINC000829582686 613174014 /nfs/dbraw/zinc/17/40/14/613174014.db2.gz PWCIXLSZVNIZJY-CYBMUJFWSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C=O)n(C)c2)C1 ZINC000829582686 613174016 /nfs/dbraw/zinc/17/40/16/613174016.db2.gz PWCIXLSZVNIZJY-CYBMUJFWSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(=C)C)C1 ZINC000885511098 613175518 /nfs/dbraw/zinc/17/55/18/613175518.db2.gz BXYCCTGUQLEACV-GFCCVEGCSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(=C)C)C1 ZINC000885511098 613175519 /nfs/dbraw/zinc/17/55/19/613175519.db2.gz BXYCCTGUQLEACV-GFCCVEGCSA-N 1 2 256.371 0.580 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000885514232 613175930 /nfs/dbraw/zinc/17/59/30/613175930.db2.gz UJNZPPSWCXJWNO-ZIAGYGMSSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000885514232 613175931 /nfs/dbraw/zinc/17/59/31/613175931.db2.gz UJNZPPSWCXJWNO-ZIAGYGMSSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000885511250 613176131 /nfs/dbraw/zinc/17/61/31/613176131.db2.gz DIVKKSVVLJHNMJ-OLZOCXBDSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000885511250 613176133 /nfs/dbraw/zinc/17/61/33/613176133.db2.gz DIVKKSVVLJHNMJ-OLZOCXBDSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132422024 613207658 /nfs/dbraw/zinc/20/76/58/613207658.db2.gz GBZQELPVXXDMAO-ZDUSSCGKSA-N 1 2 272.352 0.223 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC[C@@H](CCOC)C2=O)CC1 ZINC000902042272 613209336 /nfs/dbraw/zinc/20/93/36/613209336.db2.gz SYCPDCLFDFMITA-AWEZNQCLSA-N 1 2 279.384 0.080 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C\c3ccc[nH]3)C2)C1 ZINC000972356589 613210603 /nfs/dbraw/zinc/21/06/03/613210603.db2.gz DGIZBLZFLWGATH-OSJSJHBBSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C\c3ccc[nH]3)C2)C1 ZINC000972356589 613210605 /nfs/dbraw/zinc/21/06/05/613210605.db2.gz DGIZBLZFLWGATH-OSJSJHBBSA-N 1 2 299.374 0.964 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972224336 613211265 /nfs/dbraw/zinc/21/12/65/613211265.db2.gz LYCFYINCGRZUMO-AWEZNQCLSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972224336 613211267 /nfs/dbraw/zinc/21/12/67/613211267.db2.gz LYCFYINCGRZUMO-AWEZNQCLSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648912 613211924 /nfs/dbraw/zinc/21/19/24/613211924.db2.gz DFMWKJPQRVGOPU-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648912 613211925 /nfs/dbraw/zinc/21/19/25/613211925.db2.gz DFMWKJPQRVGOPU-OAHLLOKOSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373127 613212224 /nfs/dbraw/zinc/21/22/24/613212224.db2.gz HSUMXJTWHPYGIY-MRXNPFEDSA-N 1 2 292.379 0.228 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373127 613212226 /nfs/dbraw/zinc/21/22/26/613212226.db2.gz HSUMXJTWHPYGIY-MRXNPFEDSA-N 1 2 292.379 0.228 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000807057524 613213771 /nfs/dbraw/zinc/21/37/71/613213771.db2.gz STZFNMYEINHRFW-OAHLLOKOSA-N 1 2 285.347 0.610 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOCC)CC2)c1 ZINC000806833319 613213851 /nfs/dbraw/zinc/21/38/51/613213851.db2.gz RSQDLNTXHFPHMV-UHFFFAOYSA-N 1 2 287.363 0.857 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000967397259 613214417 /nfs/dbraw/zinc/21/44/17/613214417.db2.gz MQIHIBFAJHIGTK-OCCSQVGLSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000967397259 613214419 /nfs/dbraw/zinc/21/44/19/613214419.db2.gz MQIHIBFAJHIGTK-OCCSQVGLSA-N 1 2 274.368 0.651 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000798290075 613221128 /nfs/dbraw/zinc/22/11/28/613221128.db2.gz WHAULPDCUICQLZ-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C/C(=C/C(=O)N(C)CCC#N)C[NH+]1CCOCC1 ZINC000900356557 613227694 /nfs/dbraw/zinc/22/76/94/613227694.db2.gz KQQOIFVSBDEOTI-BENRWUELSA-N 1 2 251.330 0.637 20 30 CCEDLO C/C(=C/C(=O)N1CC[C@](F)(C#N)C1)C[NH+]1CCOCC1 ZINC000907636486 613234092 /nfs/dbraw/zinc/23/40/92/613234092.db2.gz QZFQZYPWTYNBAZ-UNJUUPHPSA-N 1 2 281.331 0.729 20 30 CCEDLO C/C(=C\C(=O)N[C@@]1(C#N)CCSC1)C[NH+]1CCOCC1 ZINC000900464536 613259074 /nfs/dbraw/zinc/25/90/74/613259074.db2.gz OVHLRGYLSCIKSO-CEFACKQISA-N 1 2 295.408 0.780 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000815116306 613326015 /nfs/dbraw/zinc/32/60/15/613326015.db2.gz IHOSSMZYSYCMRD-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000815116306 613326017 /nfs/dbraw/zinc/32/60/17/613326017.db2.gz IHOSSMZYSYCMRD-ZJUUUORDSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852471926 613327039 /nfs/dbraw/zinc/32/70/39/613327039.db2.gz OLOPOQBDXIVRPE-NNUKFRKNSA-N 1 2 280.368 0.837 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000882901477 613355225 /nfs/dbraw/zinc/35/52/25/613355225.db2.gz JGGDACKUMLKYAW-QJPTWQEYSA-N 1 2 263.341 0.967 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc[nH]c2=O)C1 ZINC000969926903 613371986 /nfs/dbraw/zinc/37/19/86/613371986.db2.gz OVORCGADVRMBQO-SECBINFHSA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)n2C)C1 ZINC000970274160 613372487 /nfs/dbraw/zinc/37/24/87/613372487.db2.gz LAJNRWVMKGYIGZ-VIFPVBQESA-N 1 2 298.774 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(C)(C)C1 ZINC000977513174 613379929 /nfs/dbraw/zinc/37/99/29/613379929.db2.gz MJQKKIUZZZANJB-WDEREUQCSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(C)(C)C1 ZINC000977513174 613379930 /nfs/dbraw/zinc/37/99/30/613379930.db2.gz MJQKKIUZZZANJB-WDEREUQCSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820593 613380775 /nfs/dbraw/zinc/38/07/75/613380775.db2.gz IDMUMPNBXHLFII-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820593 613380776 /nfs/dbraw/zinc/38/07/76/613380776.db2.gz IDMUMPNBXHLFII-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041737 613380842 /nfs/dbraw/zinc/38/08/42/613380842.db2.gz NYZGPRYBJUSIKV-QWRGUYRKSA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041737 613380843 /nfs/dbraw/zinc/38/08/43/613380843.db2.gz NYZGPRYBJUSIKV-QWRGUYRKSA-N 1 2 298.774 0.493 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000878035916 613396866 /nfs/dbraw/zinc/39/68/66/613396866.db2.gz CKXDYQAHELOYSX-JTQLQIEISA-N 1 2 255.318 0.191 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(N)=O)CC1 ZINC000878035916 613396868 /nfs/dbraw/zinc/39/68/68/613396868.db2.gz CKXDYQAHELOYSX-JTQLQIEISA-N 1 2 255.318 0.191 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917908 613398070 /nfs/dbraw/zinc/39/80/70/613398070.db2.gz YRTYHONOAQEXBG-MNOVXSKESA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917908 613398074 /nfs/dbraw/zinc/39/80/74/613398074.db2.gz YRTYHONOAQEXBG-MNOVXSKESA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000878433048 613398771 /nfs/dbraw/zinc/39/87/71/613398771.db2.gz QSCBPORBYOOOFZ-RYUDHWBXSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000878433048 613398773 /nfs/dbraw/zinc/39/87/73/613398773.db2.gz QSCBPORBYOOOFZ-RYUDHWBXSA-N 1 2 281.356 0.640 20 30 CCEDLO C=CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)C(=O)OC ZINC000905748861 613405600 /nfs/dbraw/zinc/40/56/00/613405600.db2.gz YQPQBOVZCMVZSZ-GFCCVEGCSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)C(=O)OC ZINC000901698823 613405611 /nfs/dbraw/zinc/40/56/11/613405611.db2.gz CIOSVYHAPRJXDJ-SNVBAGLBSA-N 1 2 281.312 0.046 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)C(=O)OC ZINC000905766007 613405652 /nfs/dbraw/zinc/40/56/52/613405652.db2.gz GIASXSAJBFRLKG-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000889655961 613409059 /nfs/dbraw/zinc/40/90/59/613409059.db2.gz SZSZOWPFJQERMD-AWEZNQCLSA-N 1 2 263.385 0.849 20 30 CCEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000878814165 613410314 /nfs/dbraw/zinc/41/03/14/613410314.db2.gz FKJBPCGLEIDGIP-SNVBAGLBSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925591562 613415139 /nfs/dbraw/zinc/41/51/39/613415139.db2.gz BVIASTAUCMQVLN-KBPBESRZSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](CCF)CC2)nn1 ZINC000982113902 613425675 /nfs/dbraw/zinc/42/56/75/613425675.db2.gz RLJLPDIMFAICCM-UHFFFAOYSA-N 1 2 281.335 0.582 20 30 CCEDLO C=CCn1cc(C(=O)N2CCC[N@H+](CCF)CC2)nn1 ZINC000982113902 613425677 /nfs/dbraw/zinc/42/56/77/613425677.db2.gz RLJLPDIMFAICCM-UHFFFAOYSA-N 1 2 281.335 0.582 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cnn(CCF)c2)nn1 ZINC000922198364 613435688 /nfs/dbraw/zinc/43/56/88/613435688.db2.gz SBWNEOKQFYSFKD-UHFFFAOYSA-N 1 2 264.308 0.920 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000845620659 613445339 /nfs/dbraw/zinc/44/53/39/613445339.db2.gz VKYKSEPVTCDHIN-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870153892 613450680 /nfs/dbraw/zinc/45/06/80/613450680.db2.gz VVHMUKWGYSJZOE-UONOGXRCSA-N 1 2 276.336 0.715 20 30 CCEDLO C=CCC(F)(F)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000815768105 613453256 /nfs/dbraw/zinc/45/32/56/613453256.db2.gz MOXAMJGEKDMVPO-LLVKDONJSA-N 1 2 292.326 0.349 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC000924608373 613471992 /nfs/dbraw/zinc/47/19/92/613471992.db2.gz NPIJNKNXUSSTLF-STQMWFEESA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC000924608373 613471993 /nfs/dbraw/zinc/47/19/93/613471993.db2.gz NPIJNKNXUSSTLF-STQMWFEESA-N 1 2 295.383 0.984 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000844285770 613487406 /nfs/dbraw/zinc/48/74/06/613487406.db2.gz ITWOLHCEEQCXPJ-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000957319823 613508536 /nfs/dbraw/zinc/50/85/36/613508536.db2.gz YXQAQPQFUZQXDM-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000957319823 613508537 /nfs/dbraw/zinc/50/85/37/613508537.db2.gz YXQAQPQFUZQXDM-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000941418215 613530011 /nfs/dbraw/zinc/53/00/11/613530011.db2.gz NUFZAYJATOONMS-UHFFFAOYSA-N 1 2 286.379 0.480 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972503745 613570364 /nfs/dbraw/zinc/57/03/64/613570364.db2.gz IBVGXIOGPURQQZ-FMKPAKJESA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972503745 613570366 /nfs/dbraw/zinc/57/03/66/613570366.db2.gz IBVGXIOGPURQQZ-FMKPAKJESA-N 1 2 276.380 0.969 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972204700 613570893 /nfs/dbraw/zinc/57/08/93/613570893.db2.gz VDSOSOPUFOVMQI-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000972204700 613570894 /nfs/dbraw/zinc/57/08/94/613570894.db2.gz VDSOSOPUFOVMQI-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972301465 613571215 /nfs/dbraw/zinc/57/12/15/613571215.db2.gz NVDHQMYCAIHRFX-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cocn3)C2)C1 ZINC000972301465 613571216 /nfs/dbraw/zinc/57/12/16/613571216.db2.gz NVDHQMYCAIHRFX-HNNXBMFYSA-N 1 2 289.335 0.615 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896569888 613572872 /nfs/dbraw/zinc/57/28/72/613572872.db2.gz VZWDIXQNJOCDCX-STQMWFEESA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896569888 613572875 /nfs/dbraw/zinc/57/28/75/613572875.db2.gz VZWDIXQNJOCDCX-STQMWFEESA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880338327 613591653 /nfs/dbraw/zinc/59/16/53/613591653.db2.gz CIUXAPRPVJXMHJ-STQMWFEESA-N 1 2 271.357 0.871 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC000957370104 613653388 /nfs/dbraw/zinc/65/33/88/613653388.db2.gz IMCBPQFBNSEERG-UHFFFAOYSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2COCCN2C)C1 ZINC000949922367 613654434 /nfs/dbraw/zinc/65/44/34/613654434.db2.gz FRLDMVDTKZPVJL-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCn2c(C)csc2=O)CC1 ZINC000948771199 613708360 /nfs/dbraw/zinc/70/83/60/613708360.db2.gz NZZNMKXABBKVTM-UHFFFAOYSA-N 1 2 295.408 0.939 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000957474689 613711373 /nfs/dbraw/zinc/71/13/73/613711373.db2.gz XJVJNCYIEXHZLW-CYBMUJFWSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000951120603 613712581 /nfs/dbraw/zinc/71/25/81/613712581.db2.gz WDGMAUWYVGYIMY-STQMWFEESA-N 1 2 279.384 0.608 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)CC1 ZINC000948619591 613712586 /nfs/dbraw/zinc/71/25/86/613712586.db2.gz NJXDORHWEBMPLP-LBPRGKRZSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000957376551 613716346 /nfs/dbraw/zinc/71/63/46/613716346.db2.gz VEUBHBISILZMTQ-UHFFFAOYSA-N 1 2 299.330 0.514 20 30 CCEDLO C=CCN1CCN(C[N@@H+](CCOC)[C@@H]2CCOC2)C1=O ZINC000840059259 613719566 /nfs/dbraw/zinc/71/95/66/613719566.db2.gz ITCQSJLQZGNDNG-CYBMUJFWSA-N 1 2 283.372 0.605 20 30 CCEDLO C=CCN1CCN(C[N@H+](CCOC)[C@@H]2CCOC2)C1=O ZINC000840059259 613719568 /nfs/dbraw/zinc/71/95/68/613719568.db2.gz ITCQSJLQZGNDNG-CYBMUJFWSA-N 1 2 283.372 0.605 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)C[C@H]2COCCO2)C1=O ZINC000853556397 613719577 /nfs/dbraw/zinc/71/95/77/613719577.db2.gz CPGOVOSQNQWHGC-LBPRGKRZSA-N 1 2 269.345 0.215 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)C[C@H]2COCCO2)C1=O ZINC000853556397 613719579 /nfs/dbraw/zinc/71/95/79/613719579.db2.gz CPGOVOSQNQWHGC-LBPRGKRZSA-N 1 2 269.345 0.215 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1 ZINC000972281391 613724233 /nfs/dbraw/zinc/72/42/33/613724233.db2.gz HJTWPRSLVVDICG-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1 ZINC000972281391 613724234 /nfs/dbraw/zinc/72/42/34/613724234.db2.gz HJTWPRSLVVDICG-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 ZINC000972281391 613724236 /nfs/dbraw/zinc/72/42/36/613724236.db2.gz HJTWPRSLVVDICG-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 ZINC000972281391 613724238 /nfs/dbraw/zinc/72/42/38/613724238.db2.gz HJTWPRSLVVDICG-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972290868 613724445 /nfs/dbraw/zinc/72/44/45/613724445.db2.gz ILOIDHIZTHOTRJ-HOCLYGCPSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 ZINC000972290868 613724449 /nfs/dbraw/zinc/72/44/49/613724449.db2.gz ILOIDHIZTHOTRJ-HOCLYGCPSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972361872 613726197 /nfs/dbraw/zinc/72/61/97/613726197.db2.gz LLXHGABLUHCQNY-GDBMZVCRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CC3)C2)C1 ZINC000972361872 613726200 /nfs/dbraw/zinc/72/62/00/613726200.db2.gz LLXHGABLUHCQNY-GDBMZVCRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCNC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845275685 613847853 /nfs/dbraw/zinc/84/78/53/613847853.db2.gz GXUONEBPXVBRRR-JTQLQIEISA-N 1 2 251.286 0.680 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845554865 613853755 /nfs/dbraw/zinc/85/37/55/613853755.db2.gz OSDQWPWXJZKCTF-LLVKDONJSA-N 1 2 291.351 0.996 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CC1 ZINC000884084929 613877330 /nfs/dbraw/zinc/87/73/30/613877330.db2.gz GKSSMPHVCRXZTD-ONGXEEELSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC(C)(C)C1 ZINC000884091213 613877803 /nfs/dbraw/zinc/87/78/03/613877803.db2.gz QXFQNGVSHCGHRO-JTQLQIEISA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(C)C)C1 ZINC000884172352 613877861 /nfs/dbraw/zinc/87/78/61/613877861.db2.gz SUXSOXSOPLRTQQ-RYUDHWBXSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000884389082 613877909 /nfs/dbraw/zinc/87/79/09/613877909.db2.gz OFSQZDMCTXCKTE-JOYOIKCWSA-N 1 2 288.294 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)OC[C@H]1C ZINC000884383413 613877925 /nfs/dbraw/zinc/87/79/25/613877925.db2.gz JJSBXNVTQPETMA-UTUOFQBUSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(F)(F)F ZINC000884084132 613878123 /nfs/dbraw/zinc/87/81/23/613878123.db2.gz IJPWPIDMYIXGHM-LURJTMIESA-N 1 2 254.208 0.112 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1csc(C)n1 ZINC000884183083 613878146 /nfs/dbraw/zinc/87/81/46/613878146.db2.gz BXLDWOBHSWDDSI-NSHDSACASA-N 1 2 297.380 0.557 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000884428174 613878360 /nfs/dbraw/zinc/87/83/60/613878360.db2.gz UXYJJFVQSPVVDK-XQHKEYJVSA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCCO1 ZINC000884099499 613878449 /nfs/dbraw/zinc/87/84/49/613878449.db2.gz QARSOWJDUZPKOA-QWRGUYRKSA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000884319746 613878529 /nfs/dbraw/zinc/87/85/29/613878529.db2.gz CJSOBIOMDMVFBL-AGIUHOORSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(C)CC2)no1 ZINC000904123783 613878895 /nfs/dbraw/zinc/87/88/95/613878895.db2.gz CFFYREOOQZFWDS-QMMMGPOBSA-N 1 2 251.286 0.720 20 30 CCEDLO C=CCOCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928638284 613879446 /nfs/dbraw/zinc/87/94/46/613879446.db2.gz GEXVEODGKXRFLG-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000927526324 613882061 /nfs/dbraw/zinc/88/20/61/613882061.db2.gz LLQMHAMWQGIQEI-NSHDSACASA-N 1 2 278.312 0.086 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nccn1C1CC1 ZINC000893506042 613885791 /nfs/dbraw/zinc/88/57/91/613885791.db2.gz RQFQDWDQNBKBKT-UHFFFAOYSA-N 1 2 269.370 0.908 20 30 CCEDLO CC(C)(C)n1cc(C[NH2+]CCC#N)c(=O)[nH]c1=O ZINC000905528890 614060604 /nfs/dbraw/zinc/06/06/04/614060604.db2.gz KJDGIPPIPGUGOK-UHFFFAOYSA-N 1 2 250.302 0.707 20 30 CCEDLO CC(C)CN1C[C@H]2C[N@H+](C[C@H](O)CC#N)CCN2C1=O ZINC000930264664 614127204 /nfs/dbraw/zinc/12/72/04/614127204.db2.gz WUJKWKZHFZAQOT-CHWSQXEVSA-N 1 2 280.372 0.339 20 30 CCEDLO CC(C)CN1C[C@H]2C[N@@H+](C[C@H](O)CC#N)CCN2C1=O ZINC000930264664 614127206 /nfs/dbraw/zinc/12/72/06/614127206.db2.gz WUJKWKZHFZAQOT-CHWSQXEVSA-N 1 2 280.372 0.339 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@@H]1CCN(O)C1=O)n1cc[nH+]c1 ZINC000820132310 614210640 /nfs/dbraw/zinc/21/06/40/614210640.db2.gz PDYVBPKVKZNACA-GHMZBOCLSA-N 1 2 280.328 0.577 20 30 CCEDLO CC(C)N(C(=O)[C@@H](C)O[NH+]=C(N)CCO)C(C)C ZINC000121320546 614247633 /nfs/dbraw/zinc/24/76/33/614247633.db2.gz BCNMDLQRLHCHFE-SNVBAGLBSA-N 1 2 259.350 0.692 20 30 CCEDLO CC(C)(C#N)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867318699 614285697 /nfs/dbraw/zinc/28/56/97/614285697.db2.gz FEXPPJMTFZCXQY-ONEGZZNKSA-N 1 2 251.330 0.541 20 30 CCEDLO CC(C)C#CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000823268882 614327861 /nfs/dbraw/zinc/32/78/61/614327861.db2.gz RNXMJURJENJKSQ-OAHLLOKOSA-N 1 2 296.436 0.970 20 30 CCEDLO CCCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000967943885 614502519 /nfs/dbraw/zinc/50/25/19/614502519.db2.gz MFIXOJYIZUMQHJ-WDEREUQCSA-N 1 2 291.355 0.872 20 30 CCEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000974978910 614602326 /nfs/dbraw/zinc/60/23/26/614602326.db2.gz ACFQOVCIUOZFPZ-CQSZACIVSA-N 1 2 299.374 0.350 20 30 CCEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000974978910 614602329 /nfs/dbraw/zinc/60/23/29/614602329.db2.gz ACFQOVCIUOZFPZ-CQSZACIVSA-N 1 2 299.374 0.350 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000956572472 614607873 /nfs/dbraw/zinc/60/78/73/614607873.db2.gz QBRCGPVFTHAZSO-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC000950658603 614634591 /nfs/dbraw/zinc/63/45/91/614634591.db2.gz ROEZGJGGLNHANR-GFCCVEGCSA-N 1 2 287.367 0.502 20 30 CCEDLO CCN(CC#N)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900361753 614923097 /nfs/dbraw/zinc/92/30/97/614923097.db2.gz VHNZYBFKVZZUFB-BENRWUELSA-N 1 2 251.330 0.637 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934330 615061521 /nfs/dbraw/zinc/06/15/21/615061521.db2.gz RYUHFLSXSSBINL-BZUNDVKYSA-N 1 2 292.383 0.477 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934330 615061522 /nfs/dbraw/zinc/06/15/22/615061522.db2.gz RYUHFLSXSSBINL-BZUNDVKYSA-N 1 2 292.383 0.477 20 30 CCEDLO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC000980849779 615207272 /nfs/dbraw/zinc/20/72/72/615207272.db2.gz NPZSJYBFENCGSG-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC000980849779 615207274 /nfs/dbraw/zinc/20/72/74/615207274.db2.gz NPZSJYBFENCGSG-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CCOC(=O)C[C@@H](O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000863453464 615209151 /nfs/dbraw/zinc/20/91/51/615209151.db2.gz KEIDPNIMUWKIDD-LLVKDONJSA-N 1 2 296.323 0.646 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC000928645157 615476963 /nfs/dbraw/zinc/47/69/63/615476963.db2.gz CPYKGIVWQBPNKF-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C#N ZINC000921888691 615477877 /nfs/dbraw/zinc/47/78/77/615477877.db2.gz WCMHGCHAJLWUKE-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000925586024 615715863 /nfs/dbraw/zinc/71/58/63/615715863.db2.gz RPVIKOODPHYTRV-CHWSQXEVSA-N 1 2 296.371 0.031 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000875478678 615924097 /nfs/dbraw/zinc/92/40/97/615924097.db2.gz MUZNSOAPVRLJIU-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000875478678 615924099 /nfs/dbraw/zinc/92/40/99/615924099.db2.gz MUZNSOAPVRLJIU-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNOCCC(F)(F)F ZINC000819248637 616067857 /nfs/dbraw/zinc/06/78/57/616067857.db2.gz YCWGOXRRSPUGHQ-SECBINFHSA-N 1 2 269.267 0.666 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNOCCC(F)(F)F ZINC000819248637 616067858 /nfs/dbraw/zinc/06/78/58/616067858.db2.gz YCWGOXRRSPUGHQ-SECBINFHSA-N 1 2 269.267 0.666 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](CO)C1 ZINC000912739334 616229672 /nfs/dbraw/zinc/22/96/72/616229672.db2.gz XBKUTBCRKVOKSC-LLVKDONJSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](CO)C1 ZINC000912739334 616229673 /nfs/dbraw/zinc/22/96/73/616229673.db2.gz XBKUTBCRKVOKSC-LLVKDONJSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@H](CO)C1 ZINC000912741528 616230269 /nfs/dbraw/zinc/23/02/69/616230269.db2.gz WYCWQTPXRBUNDY-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@H](CO)C1 ZINC000912741528 616230270 /nfs/dbraw/zinc/23/02/70/616230270.db2.gz WYCWQTPXRBUNDY-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cscc2C#N)C[C@@H]1CO ZINC000913542382 616231945 /nfs/dbraw/zinc/23/19/45/616231945.db2.gz IWVRPXDGTACXEU-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cscc2C#N)C[C@@H]1CO ZINC000913542382 616231946 /nfs/dbraw/zinc/23/19/46/616231946.db2.gz IWVRPXDGTACXEU-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000930957230 616326980 /nfs/dbraw/zinc/32/69/80/616326980.db2.gz AMCZBUUNDNQVLO-NWDGAFQWSA-N 1 2 281.356 0.442 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940069 616528067 /nfs/dbraw/zinc/52/80/67/616528067.db2.gz MGIGYPIABIDHTN-NWDGAFQWSA-N 1 2 257.355 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940069 616528069 /nfs/dbraw/zinc/52/80/69/616528069.db2.gz MGIGYPIABIDHTN-NWDGAFQWSA-N 1 2 257.355 0.003 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933687986 616528178 /nfs/dbraw/zinc/52/81/78/616528178.db2.gz HMQFWMYCBWNNIC-UONOGXRCSA-N 1 2 253.342 0.906 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933687986 616528181 /nfs/dbraw/zinc/52/81/81/616528181.db2.gz HMQFWMYCBWNNIC-UONOGXRCSA-N 1 2 253.342 0.906 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000880559513 616560268 /nfs/dbraw/zinc/56/02/68/616560268.db2.gz OIEZPIONBWDJKE-ZYHUDNBSSA-N 1 2 251.286 0.040 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000880559513 616560271 /nfs/dbraw/zinc/56/02/71/616560271.db2.gz OIEZPIONBWDJKE-ZYHUDNBSSA-N 1 2 251.286 0.040 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965194 616653568 /nfs/dbraw/zinc/65/35/68/616653568.db2.gz DOQHWNPNQOQUHQ-OLZOCXBDSA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CC1 ZINC000842965194 616653571 /nfs/dbraw/zinc/65/35/71/616653571.db2.gz DOQHWNPNQOQUHQ-OLZOCXBDSA-N 1 2 296.367 0.959 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629657 616909950 /nfs/dbraw/zinc/90/99/50/616909950.db2.gz UITHOYQMLKOSSH-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629657 616909952 /nfs/dbraw/zinc/90/99/52/616909952.db2.gz UITHOYQMLKOSSH-LSDHHAIUSA-N 1 2 276.336 0.939 20 30 CCEDLO COC(=O)c1cncc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000930818787 616988592 /nfs/dbraw/zinc/98/85/92/616988592.db2.gz ODJRYABUEJVKCO-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1cncc(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000930818787 616988596 /nfs/dbraw/zinc/98/85/96/616988596.db2.gz ODJRYABUEJVKCO-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007705884 623852527 /nfs/dbraw/zinc/85/25/27/623852527.db2.gz OOESTDLTYZAWDU-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Br)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187702456 624824732 /nfs/dbraw/zinc/82/47/32/624824732.db2.gz IPJOITVTQBXGBJ-SNVBAGLBSA-N 1 2 263.179 0.893 20 30 CCEDLO C=C(Br)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187702456 624824734 /nfs/dbraw/zinc/82/47/34/624824734.db2.gz IPJOITVTQBXGBJ-SNVBAGLBSA-N 1 2 263.179 0.893 20 30 CCEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C ZINC000971221271 624828629 /nfs/dbraw/zinc/82/86/29/624828629.db2.gz NVEVGELTVHUGHB-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C ZINC000971221271 624828630 /nfs/dbraw/zinc/82/86/30/624828630.db2.gz NVEVGELTVHUGHB-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N(C)c1ccccc1 ZINC000121355906 624853695 /nfs/dbraw/zinc/85/36/95/624853695.db2.gz WVDZAXIXSHJXIJ-SNVBAGLBSA-N 1 2 265.313 0.709 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891902255 624991036 /nfs/dbraw/zinc/99/10/36/624991036.db2.gz RHUTYBXLRKNYSW-STQMWFEESA-N 1 2 283.347 0.761 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010076960 630988008 /nfs/dbraw/zinc/98/80/08/630988008.db2.gz GYHLPXCGCIUNBX-NSHDSACASA-N 1 2 285.775 0.552 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010076960 630988014 /nfs/dbraw/zinc/98/80/14/630988014.db2.gz GYHLPXCGCIUNBX-NSHDSACASA-N 1 2 285.775 0.552 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010076943 630988132 /nfs/dbraw/zinc/98/81/32/630988132.db2.gz GYHLPXCGCIUNBX-LLVKDONJSA-N 1 2 285.775 0.552 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010076943 630988136 /nfs/dbraw/zinc/98/81/36/630988136.db2.gz GYHLPXCGCIUNBX-LLVKDONJSA-N 1 2 285.775 0.552 20 30 CCEDLO N#CCN[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981352769 631271231 /nfs/dbraw/zinc/27/12/31/631271231.db2.gz FEZREUNVXQTVFU-WDEREUQCSA-N 1 2 261.329 0.493 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981486405 631283012 /nfs/dbraw/zinc/28/30/12/631283012.db2.gz NBIPEADTUYWPNX-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000967944978 650005910 /nfs/dbraw/zinc/00/59/10/650005910.db2.gz UCZDXOHKISNIMF-HTQZYQBOSA-N 1 2 299.281 0.857 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000310426888 631916593 /nfs/dbraw/zinc/91/65/93/631916593.db2.gz PFZJMWSPQSDFOJ-WDEREUQCSA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000310426888 631916595 /nfs/dbraw/zinc/91/65/95/631916595.db2.gz PFZJMWSPQSDFOJ-WDEREUQCSA-N 1 2 260.359 0.424 20 30 CCEDLO Cn1ncc(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895160666 631992887 /nfs/dbraw/zinc/99/28/87/631992887.db2.gz OCTAEABEACNUPU-QMMMGPOBSA-N 1 2 258.709 0.543 20 30 CCEDLO NC(CCO)=[NH+]OCc1ncn(-c2ccccc2)n1 ZINC000121316705 632509523 /nfs/dbraw/zinc/50/95/23/632509523.db2.gz ITANAFDBQUDJQO-UHFFFAOYSA-N 1 2 261.285 0.439 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986209968 632730118 /nfs/dbraw/zinc/73/01/18/632730118.db2.gz FJNJAQMGTGODCD-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000988825559 633119629 /nfs/dbraw/zinc/11/96/29/633119629.db2.gz MEKPCLJWDCNYPI-ZWNOBZJWSA-N 1 2 288.351 0.870 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008367349 650111090 /nfs/dbraw/zinc/11/10/90/650111090.db2.gz VJIVOSWENSGXQF-UWVGGRQHSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008367349 650111092 /nfs/dbraw/zinc/11/10/92/650111092.db2.gz VJIVOSWENSGXQF-UWVGGRQHSA-N 1 2 286.763 0.001 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1[nH+]ccn1C ZINC000989222088 633169836 /nfs/dbraw/zinc/16/98/36/633169836.db2.gz NGDOMJVGQGFLAQ-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C#N)s1 ZINC000898887323 633682348 /nfs/dbraw/zinc/68/23/48/633682348.db2.gz KTGWGXUSAVWQET-SECBINFHSA-N 1 2 276.321 0.817 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001008463734 650115666 /nfs/dbraw/zinc/11/56/66/650115666.db2.gz IUKPFQHUNQYQQQ-OLZOCXBDSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001008463734 650115669 /nfs/dbraw/zinc/11/56/69/650115669.db2.gz IUKPFQHUNQYQQQ-OLZOCXBDSA-N 1 2 291.395 0.812 20 30 CCEDLO NC(=[NH+]OCC[C@@H]1CCNC1=O)c1ccc(F)cc1 ZINC000902175556 634325170 /nfs/dbraw/zinc/32/51/70/634325170.db2.gz HTUVOMLSJZMHPN-JTQLQIEISA-N 1 2 265.288 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010283729 650197339 /nfs/dbraw/zinc/19/73/39/650197339.db2.gz CEHQKCGDLVXTCQ-SECBINFHSA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010283729 650197342 /nfs/dbraw/zinc/19/73/42/650197342.db2.gz CEHQKCGDLVXTCQ-SECBINFHSA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010364163 650206551 /nfs/dbraw/zinc/20/65/51/650206551.db2.gz IFTSXZFZMZPTFI-GFCCVEGCSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001010364163 650206552 /nfs/dbraw/zinc/20/65/52/650206552.db2.gz IFTSXZFZMZPTFI-GFCCVEGCSA-N 1 2 282.775 0.906 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)CC(C)(C)C#N)CC[NH2+]2)cn1 ZINC000913460355 636813506 /nfs/dbraw/zinc/81/35/06/636813506.db2.gz INMRNOQVHKJNMI-GFCCVEGCSA-N 1 2 275.356 0.833 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC000913448039 636816789 /nfs/dbraw/zinc/81/67/89/636816789.db2.gz XDIOMNBRSHPZCM-KSGYAGIASA-N 1 2 273.340 0.822 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000914083619 637503300 /nfs/dbraw/zinc/50/33/00/637503300.db2.gz VTFKNNXFGRRWNE-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC000993356793 637795056 /nfs/dbraw/zinc/79/50/56/637795056.db2.gz XCUFWQMHDWZXEB-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC000993356793 637795063 /nfs/dbraw/zinc/79/50/63/637795063.db2.gz XCUFWQMHDWZXEB-QWRGUYRKSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC000993356794 637795212 /nfs/dbraw/zinc/79/52/12/637795212.db2.gz XCUFWQMHDWZXEB-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC000993356794 637795217 /nfs/dbraw/zinc/79/52/17/637795217.db2.gz XCUFWQMHDWZXEB-WDEREUQCSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC000993356790 637795243 /nfs/dbraw/zinc/79/52/43/637795243.db2.gz XCUFWQMHDWZXEB-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC000993356790 637795247 /nfs/dbraw/zinc/79/52/47/637795247.db2.gz XCUFWQMHDWZXEB-GHMZBOCLSA-N 1 2 298.778 0.395 20 30 CCEDLO C[C@@H](C(=O)Nc1cc(C#N)ccc1O)N1CC[NH+](C)CC1 ZINC000179740265 638241265 /nfs/dbraw/zinc/24/12/65/638241265.db2.gz MUBMFTKZGJKRNU-NSHDSACASA-N 1 2 288.351 0.838 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943755310 638740336 /nfs/dbraw/zinc/74/03/36/638740336.db2.gz BMLHKNKLDZLDDI-QWRGUYRKSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995559715 638777304 /nfs/dbraw/zinc/77/73/04/638777304.db2.gz KOTMRGUUIMJLCF-ONGXEEELSA-N 1 2 291.355 0.864 20 30 CCEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NCC#N ZINC000996712769 638829498 /nfs/dbraw/zinc/82/94/98/638829498.db2.gz GSYJHIATVPWHGV-NSHDSACASA-N 1 2 261.329 0.233 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000998744620 638938820 /nfs/dbraw/zinc/93/88/20/638938820.db2.gz CTMSADFWSVQOTP-GXSJLCMTSA-N 1 2 277.328 0.618 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999410985 638980647 /nfs/dbraw/zinc/98/06/47/638980647.db2.gz IVYIMYKYRWSHNI-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999410985 638980651 /nfs/dbraw/zinc/98/06/51/638980651.db2.gz IVYIMYKYRWSHNI-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2nnc(C)[nH]2)CC1 ZINC001002772583 639454810 /nfs/dbraw/zinc/45/48/10/639454810.db2.gz OWBKDMYRNHYVBC-UHFFFAOYSA-N 1 2 297.790 0.989 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014984353 650511050 /nfs/dbraw/zinc/51/10/50/650511050.db2.gz SFRJEBKJPBRFFR-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074718 650524592 /nfs/dbraw/zinc/52/45/92/650524592.db2.gz SNDGNSCEKNRBOX-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001015074718 650524594 /nfs/dbraw/zinc/52/45/94/650524594.db2.gz SNDGNSCEKNRBOX-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279698 650549290 /nfs/dbraw/zinc/54/92/90/650549290.db2.gz ZTSUCQIHZSXTGL-JTQLQIEISA-N 1 2 276.292 0.086 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279698 650549292 /nfs/dbraw/zinc/54/92/92/650549292.db2.gz ZTSUCQIHZSXTGL-JTQLQIEISA-N 1 2 276.292 0.086 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885982144 640215836 /nfs/dbraw/zinc/21/58/36/640215836.db2.gz WGUUNHOARVTUGW-WDEREUQCSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885982144 640215843 /nfs/dbraw/zinc/21/58/43/640215843.db2.gz WGUUNHOARVTUGW-WDEREUQCSA-N 1 2 251.330 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015377666 650560535 /nfs/dbraw/zinc/56/05/35/650560535.db2.gz SPUZKWDJXVHKQQ-ZWNOBZJWSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001015377666 650560538 /nfs/dbraw/zinc/56/05/38/650560538.db2.gz SPUZKWDJXVHKQQ-ZWNOBZJWSA-N 1 2 285.775 0.456 20 30 CCEDLO Cc1nsc(N2CC[NH+](CCO[C@H](C)C#N)CC2)n1 ZINC000801934738 640677863 /nfs/dbraw/zinc/67/78/63/640677863.db2.gz QLZCFOPLXGSXPH-SNVBAGLBSA-N 1 2 281.385 0.897 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001015672974 650605552 /nfs/dbraw/zinc/60/55/52/650605552.db2.gz FGFKTBDYWPKWKX-LBPRGKRZSA-N 1 2 289.383 0.862 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001015672974 650605555 /nfs/dbraw/zinc/60/55/55/650605555.db2.gz FGFKTBDYWPKWKX-LBPRGKRZSA-N 1 2 289.383 0.862 20 30 CCEDLO Cc1ccc(NC(=O)NCC(=O)NCC#N)c(N(C)C)[nH+]1 ZINC000806360404 640779578 /nfs/dbraw/zinc/77/95/78/640779578.db2.gz GKPLGNQYHQIPRM-UHFFFAOYSA-N 1 2 290.327 0.217 20 30 CCEDLO N#Cc1c2c(cn(CN3CCn4c[nH+]cc4C3)c1=O)CCC2 ZINC000811787359 640986073 /nfs/dbraw/zinc/98/60/73/640986073.db2.gz KIPGNAAGLMORSR-UHFFFAOYSA-N 1 2 295.346 0.878 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)c1C#N ZINC000819896522 641438454 /nfs/dbraw/zinc/43/84/54/641438454.db2.gz DYPQISOGGUXQMI-CYBMUJFWSA-N 1 2 298.350 0.915 20 30 CCEDLO Cc1ccn(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)c1C#N ZINC000819896522 641438459 /nfs/dbraw/zinc/43/84/59/641438459.db2.gz DYPQISOGGUXQMI-CYBMUJFWSA-N 1 2 298.350 0.915 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000826574717 641944431 /nfs/dbraw/zinc/94/44/31/641944431.db2.gz UHAMTHRZNDFQSP-CQSZACIVSA-N 1 2 282.384 0.594 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000834498672 642586635 /nfs/dbraw/zinc/58/66/35/642586635.db2.gz BMSZLOGBIHBUJS-XVKPBYJWSA-N 1 2 267.235 0.512 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C)cn1 ZINC001017386005 650798514 /nfs/dbraw/zinc/79/85/14/650798514.db2.gz PBUVAZXGIMCPQQ-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C)cn1 ZINC001017386005 650798517 /nfs/dbraw/zinc/79/85/17/650798517.db2.gz PBUVAZXGIMCPQQ-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OC ZINC001017403211 650799808 /nfs/dbraw/zinc/79/98/08/650799808.db2.gz QCCRUZUQUMAWMB-XQQFMLRXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OC ZINC001017403211 650799813 /nfs/dbraw/zinc/79/98/13/650799813.db2.gz QCCRUZUQUMAWMB-XQQFMLRXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn1CC ZINC001017510713 650807034 /nfs/dbraw/zinc/80/70/34/650807034.db2.gz KRVQWZNLXVVKCV-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn1CC ZINC001017510713 650807036 /nfs/dbraw/zinc/80/70/36/650807036.db2.gz KRVQWZNLXVVKCV-BETUJISGSA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001017532910 650809565 /nfs/dbraw/zinc/80/95/65/650809565.db2.gz GWMAXKCUFFJATB-OUAUKWLOSA-N 1 2 254.280 0.950 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001017532910 650809570 /nfs/dbraw/zinc/80/95/70/650809570.db2.gz GWMAXKCUFFJATB-OUAUKWLOSA-N 1 2 254.280 0.950 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2nnnc2c1 ZINC001017788690 650822209 /nfs/dbraw/zinc/82/22/09/650822209.db2.gz XBWYCCWEGXDARS-BETUJISGSA-N 1 2 298.350 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2nnnc2c1 ZINC001017788690 650822212 /nfs/dbraw/zinc/82/22/12/650822212.db2.gz XBWYCCWEGXDARS-BETUJISGSA-N 1 2 298.350 0.599 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001017798839 650824006 /nfs/dbraw/zinc/82/40/06/650824006.db2.gz KPIHSBGIJIQSTC-PHIMTYICSA-N 1 2 274.324 0.048 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001017798839 650824009 /nfs/dbraw/zinc/82/40/09/650824009.db2.gz KPIHSBGIJIQSTC-PHIMTYICSA-N 1 2 274.324 0.048 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)c1 ZINC001018301821 650852124 /nfs/dbraw/zinc/85/21/24/650852124.db2.gz UHTOEDWCCZPMOO-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)c1 ZINC001018301821 650852127 /nfs/dbraw/zinc/85/21/27/650852127.db2.gz UHTOEDWCCZPMOO-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1=O ZINC000853558140 644121180 /nfs/dbraw/zinc/12/11/80/644121180.db2.gz OGAZLCWCBPDZSW-STQMWFEESA-N 1 2 286.335 0.278 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1=O ZINC000853558140 644121182 /nfs/dbraw/zinc/12/11/82/644121182.db2.gz OGAZLCWCBPDZSW-STQMWFEESA-N 1 2 286.335 0.278 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859270282 644681438 /nfs/dbraw/zinc/68/14/38/644681438.db2.gz OAHDLTRWNDZVTI-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859270282 644681441 /nfs/dbraw/zinc/68/14/41/644681441.db2.gz OAHDLTRWNDZVTI-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO N#CCC1(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867977399 645696006 /nfs/dbraw/zinc/69/60/06/645696006.db2.gz GPFYDUURUIINPX-UPHRSURJSA-N 1 2 263.341 0.685 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+](CN2CC3(COC3)CC2=O)C1 ZINC000872624388 646299634 /nfs/dbraw/zinc/29/96/34/646299634.db2.gz NDGMGIVFHHJJDF-LBPRGKRZSA-N 1 2 263.341 0.818 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+](CN2CC3(COC3)CC2=O)C1 ZINC000872624388 646299639 /nfs/dbraw/zinc/29/96/39/646299639.db2.gz NDGMGIVFHHJJDF-LBPRGKRZSA-N 1 2 263.341 0.818 20 30 CCEDLO N#Cc1c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cn2ccccc12 ZINC000879612581 647083185 /nfs/dbraw/zinc/08/31/85/647083185.db2.gz GGFNROJCLHTEDK-CABCVRRESA-N 1 2 271.320 0.738 20 30 CCEDLO N#Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cn2ccccc12 ZINC000879612581 647083188 /nfs/dbraw/zinc/08/31/88/647083188.db2.gz GGFNROJCLHTEDK-CABCVRRESA-N 1 2 271.320 0.738 20 30 CCEDLO Cc1nc(C#N)cc(N(C)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000882278721 647391770 /nfs/dbraw/zinc/39/17/70/647391770.db2.gz TWVNAVMWQZUUOH-NSHDSACASA-N 1 2 275.356 0.814 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000887690058 648143456 /nfs/dbraw/zinc/14/34/56/648143456.db2.gz FHKJNMNCBHOZCB-HNNXBMFYSA-N 1 2 288.351 0.903 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000931621085 649010345 /nfs/dbraw/zinc/01/03/45/649010345.db2.gz UMVULQRAJUUOED-BDAKNGLRSA-N 1 2 252.236 0.914 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000931621085 649010347 /nfs/dbraw/zinc/01/03/47/649010347.db2.gz UMVULQRAJUUOED-BDAKNGLRSA-N 1 2 252.236 0.914 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)CO)CCO2)cc1 ZINC000933630311 649131329 /nfs/dbraw/zinc/13/13/29/649131329.db2.gz HCQNVFNYUBPOSD-ZIAGYGMSSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)CO)CCO2)cc1 ZINC000933630311 649131330 /nfs/dbraw/zinc/13/13/30/649131330.db2.gz HCQNVFNYUBPOSD-ZIAGYGMSSA-N 1 2 262.309 0.285 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1CC#N ZINC000948086841 649361207 /nfs/dbraw/zinc/36/12/07/649361207.db2.gz UNUGBTCSNHZPKS-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001266275175 790380037 /nfs/dbraw/zinc/38/00/37/790380037.db2.gz PMUASMLYRSEHJE-ZDUSSCGKSA-N 1 2 290.367 0.371 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001266275175 790380048 /nfs/dbraw/zinc/38/00/48/790380048.db2.gz PMUASMLYRSEHJE-ZDUSSCGKSA-N 1 2 290.367 0.371 20 30 CCEDLO C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001266294505 790443982 /nfs/dbraw/zinc/44/39/82/790443982.db2.gz AAKKVMAYCJCGRH-ZIAGYGMSSA-N 1 2 278.400 0.680 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001039040403 790446553 /nfs/dbraw/zinc/44/65/53/790446553.db2.gz SGGXBIGQIGTWSQ-JSGCOSHPSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001039040403 790446556 /nfs/dbraw/zinc/44/65/56/790446556.db2.gz SGGXBIGQIGTWSQ-JSGCOSHPSA-N 1 2 288.322 0.953 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001266333268 790527625 /nfs/dbraw/zinc/52/76/25/790527625.db2.gz JYAZCOOTWXEBDV-NXEZZACHSA-N 1 2 253.346 0.263 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266333268 790527629 /nfs/dbraw/zinc/52/76/29/790527629.db2.gz JYAZCOOTWXEBDV-NXEZZACHSA-N 1 2 253.346 0.263 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 ZINC001083198764 790755681 /nfs/dbraw/zinc/75/56/81/790755681.db2.gz POSVBCONAYDPDQ-CBBWQLFWSA-N 1 2 290.363 0.122 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 ZINC001083198764 790755684 /nfs/dbraw/zinc/75/56/84/790755684.db2.gz POSVBCONAYDPDQ-CBBWQLFWSA-N 1 2 290.363 0.122 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001230676441 805645666 /nfs/dbraw/zinc/64/56/66/805645666.db2.gz PYBKJNRQLQPARI-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001230676441 805645670 /nfs/dbraw/zinc/64/56/70/805645670.db2.gz PYBKJNRQLQPARI-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230819191 805665125 /nfs/dbraw/zinc/66/51/25/805665125.db2.gz OHUKMVIRVJAEKN-GFCCVEGCSA-N 1 2 265.382 0.799 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230819191 805665129 /nfs/dbraw/zinc/66/51/29/805665129.db2.gz OHUKMVIRVJAEKN-GFCCVEGCSA-N 1 2 265.382 0.799 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccn2ncc(C#N)c2n1 ZINC001230966977 805701318 /nfs/dbraw/zinc/70/13/18/805701318.db2.gz VYINICQIEZIRPU-NSHDSACASA-N 1 2 287.323 0.700 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230990046 805705809 /nfs/dbraw/zinc/70/58/09/805705809.db2.gz UHKLQRVJGFXFSL-SVSAJMPUSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230990046 805705811 /nfs/dbraw/zinc/70/58/11/805705811.db2.gz UHKLQRVJGFXFSL-SVSAJMPUSA-N 1 2 291.395 0.625 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001231169898 805743268 /nfs/dbraw/zinc/74/32/68/805743268.db2.gz LAXUWOOGFZFGPI-NEPJUHHUSA-N 1 2 293.367 0.291 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001231169898 805743274 /nfs/dbraw/zinc/74/32/74/805743274.db2.gz LAXUWOOGFZFGPI-NEPJUHHUSA-N 1 2 293.367 0.291 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001231240434 805757984 /nfs/dbraw/zinc/75/79/84/805757984.db2.gz KGTUVGSNDALASL-CHWSQXEVSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001231240434 805757988 /nfs/dbraw/zinc/75/79/88/805757988.db2.gz KGTUVGSNDALASL-CHWSQXEVSA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231233613 805758039 /nfs/dbraw/zinc/75/80/39/805758039.db2.gz LRCOSOJLTORPHV-CQSZACIVSA-N 1 2 280.368 0.372 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231233613 805758043 /nfs/dbraw/zinc/75/80/43/805758043.db2.gz LRCOSOJLTORPHV-CQSZACIVSA-N 1 2 280.368 0.372 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001231292773 805769806 /nfs/dbraw/zinc/76/98/06/805769806.db2.gz FXBQOBIPHIIBOA-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001231292773 805769809 /nfs/dbraw/zinc/76/98/09/805769809.db2.gz FXBQOBIPHIIBOA-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001231292770 805769998 /nfs/dbraw/zinc/76/99/98/805769998.db2.gz FXBQOBIPHIIBOA-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001231292770 805770001 /nfs/dbraw/zinc/77/00/01/805770001.db2.gz FXBQOBIPHIIBOA-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231406153 805792752 /nfs/dbraw/zinc/79/27/52/805792752.db2.gz XTGQLIMIQBZTGV-CQSZACIVSA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231406153 805792757 /nfs/dbraw/zinc/79/27/57/805792757.db2.gz XTGQLIMIQBZTGV-CQSZACIVSA-N 1 2 291.395 0.788 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(O)c(C(=O)OC)c2)CC1 ZINC001231420184 805799914 /nfs/dbraw/zinc/79/99/14/805799914.db2.gz NWQCDXDBDXTKID-UHFFFAOYSA-N 1 2 288.347 0.930 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001277597508 805880867 /nfs/dbraw/zinc/88/08/67/805880867.db2.gz HGXCQRWMFLEESV-UHFFFAOYSA-N 1 2 263.341 0.974 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213356779 791363898 /nfs/dbraw/zinc/36/38/98/791363898.db2.gz AHSHOQQECUYDPX-JHJVBQTASA-N 1 2 297.399 0.422 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213356779 791363902 /nfs/dbraw/zinc/36/39/02/791363902.db2.gz AHSHOQQECUYDPX-JHJVBQTASA-N 1 2 297.399 0.422 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC001266959988 791396078 /nfs/dbraw/zinc/39/60/78/791396078.db2.gz AHKWEJFTMHEKEA-LLVKDONJSA-N 1 2 284.319 0.959 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500217 806069932 /nfs/dbraw/zinc/06/99/32/806069932.db2.gz IDKOPRHBZQEUEM-LMVHVUTASA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500217 806069941 /nfs/dbraw/zinc/06/99/41/806069941.db2.gz IDKOPRHBZQEUEM-LMVHVUTASA-N 1 2 291.395 0.788 20 30 CCEDLO COC(=O)c1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccn1C ZINC001233788280 806120635 /nfs/dbraw/zinc/12/06/35/806120635.db2.gz VVNJKPBGTVJTFU-OTDFPYDRSA-N 1 2 292.335 0.803 20 30 CCEDLO COC(=O)c1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccn1C ZINC001233788280 806120637 /nfs/dbraw/zinc/12/06/37/806120637.db2.gz VVNJKPBGTVJTFU-OTDFPYDRSA-N 1 2 292.335 0.803 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC001233819364 806126487 /nfs/dbraw/zinc/12/64/87/806126487.db2.gz MFWDPGMFFAAACA-AWEZNQCLSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC001233819364 806126492 /nfs/dbraw/zinc/12/64/92/806126492.db2.gz MFWDPGMFFAAACA-AWEZNQCLSA-N 1 2 288.351 0.273 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052681 806174445 /nfs/dbraw/zinc/17/44/45/806174445.db2.gz ZPLKTOAMOSVKLF-QWHCGFSZSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052681 806174452 /nfs/dbraw/zinc/17/44/52/806174452.db2.gz ZPLKTOAMOSVKLF-QWHCGFSZSA-N 1 2 250.342 0.577 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052796 806174889 /nfs/dbraw/zinc/17/48/89/806174889.db2.gz ZVNAZJQHFMEPRJ-CABCVRRESA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052796 806174897 /nfs/dbraw/zinc/17/48/97/806174897.db2.gz ZVNAZJQHFMEPRJ-CABCVRRESA-N 1 2 294.395 0.594 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195601 806202321 /nfs/dbraw/zinc/20/23/21/806202321.db2.gz MCTSLGRWMXUBIT-OLZOCXBDSA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195601 806202315 /nfs/dbraw/zinc/20/23/15/806202315.db2.gz MCTSLGRWMXUBIT-OLZOCXBDSA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214844 806204208 /nfs/dbraw/zinc/20/42/08/806204208.db2.gz FKLKUVVXPVKCNV-OLZOCXBDSA-N 1 2 293.411 0.833 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214844 806204215 /nfs/dbraw/zinc/20/42/15/806204215.db2.gz FKLKUVVXPVKCNV-OLZOCXBDSA-N 1 2 293.411 0.833 20 30 CCEDLO CNC(=O)c1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234657126 806294631 /nfs/dbraw/zinc/29/46/31/806294631.db2.gz YZMSSFQNOCICRU-OTDFPYDRSA-N 1 2 289.335 0.432 20 30 CCEDLO CNC(=O)c1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234657126 806294640 /nfs/dbraw/zinc/29/46/40/806294640.db2.gz YZMSSFQNOCICRU-OTDFPYDRSA-N 1 2 289.335 0.432 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123694270 799455770 /nfs/dbraw/zinc/45/57/70/799455770.db2.gz JBVRTRCCDSJXAG-ZNMIVQPWSA-N 1 2 292.427 0.818 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123694270 799455772 /nfs/dbraw/zinc/45/57/72/799455772.db2.gz JBVRTRCCDSJXAG-ZNMIVQPWSA-N 1 2 292.427 0.818 20 30 CCEDLO C=C1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123695927 799456376 /nfs/dbraw/zinc/45/63/76/799456376.db2.gz XULJSAPSXMCPSH-KBPBESRZSA-N 1 2 280.416 0.982 20 30 CCEDLO C=C1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123695927 799456380 /nfs/dbraw/zinc/45/63/80/799456380.db2.gz XULJSAPSXMCPSH-KBPBESRZSA-N 1 2 280.416 0.982 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001123695146 799456487 /nfs/dbraw/zinc/45/64/87/799456487.db2.gz QKFPHLDNXGJVEI-LBPRGKRZSA-N 1 2 276.340 0.697 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#N)n1C ZINC001124018955 799535982 /nfs/dbraw/zinc/53/59/82/799535982.db2.gz DZBOGGLDZPANMQ-UHFFFAOYSA-N 1 2 257.297 0.603 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124278272 799586919 /nfs/dbraw/zinc/58/69/19/799586919.db2.gz HMIDKMOFTWRZOT-ZDUSSCGKSA-N 1 2 290.367 0.820 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001124764736 799633432 /nfs/dbraw/zinc/63/34/32/799633432.db2.gz BIQNDRNVGFBEMW-UHFFFAOYSA-N 1 2 267.329 0.700 20 30 CCEDLO C=CCn1cc(C[NH+]2CCN(C3COC3)CC2)cn1 ZINC001139765936 799839698 /nfs/dbraw/zinc/83/96/98/799839698.db2.gz IIEPABJFLCKCMI-UHFFFAOYSA-N 1 2 262.357 0.586 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(OC)nc2OC)CC1 ZINC001139921926 799853944 /nfs/dbraw/zinc/85/39/44/799853944.db2.gz KTHVTWOPUMJQID-UHFFFAOYSA-N 1 2 275.352 0.850 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cn3c(n2)COCC3)CC1 ZINC001141537097 800018724 /nfs/dbraw/zinc/01/87/24/800018724.db2.gz GVQPYMLGUZTIIC-UHFFFAOYSA-N 1 2 260.341 0.164 20 30 CCEDLO C[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2O)CC1 ZINC001143232374 800213054 /nfs/dbraw/zinc/21/30/54/800213054.db2.gz HWFTZYZZSUMWIT-UHFFFAOYSA-N 1 2 288.351 0.840 20 30 CCEDLO CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2O)CC1 ZINC001143232374 800213057 /nfs/dbraw/zinc/21/30/57/800213057.db2.gz HWFTZYZZSUMWIT-UHFFFAOYSA-N 1 2 288.351 0.840 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001149788579 800297761 /nfs/dbraw/zinc/29/77/61/800297761.db2.gz HBYJBPDTDYDCDA-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001149788579 800297766 /nfs/dbraw/zinc/29/77/66/800297766.db2.gz HBYJBPDTDYDCDA-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150203685 800322886 /nfs/dbraw/zinc/32/28/86/800322886.db2.gz WEVSEVQTSZWTGX-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150203685 800322893 /nfs/dbraw/zinc/32/28/93/800322893.db2.gz WEVSEVQTSZWTGX-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153001513 800579884 /nfs/dbraw/zinc/57/98/84/800579884.db2.gz UEQKPCMQKKFZAJ-ZIAGYGMSSA-N 1 2 295.427 0.999 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153001513 800579886 /nfs/dbraw/zinc/57/98/86/800579886.db2.gz UEQKPCMQKKFZAJ-ZIAGYGMSSA-N 1 2 295.427 0.999 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154092019 800719103 /nfs/dbraw/zinc/71/91/03/800719103.db2.gz AECKLGZWDHZPMZ-CHWSQXEVSA-N 1 2 289.383 0.796 20 30 CCEDLO CC(C)C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(=O)NO ZINC001154527954 800795035 /nfs/dbraw/zinc/79/50/35/800795035.db2.gz KGRSDBBRLYUMML-JTQLQIEISA-N 1 2 290.323 0.984 20 30 CCEDLO NC(=NC(=O)c1cccc2[nH+]ccn21)c1ncc[nH]1 ZINC001154526634 800795226 /nfs/dbraw/zinc/79/52/26/800795226.db2.gz XIRKENLABTULLI-UHFFFAOYSA-N 1 2 254.253 0.603 20 30 CCEDLO CCS(=O)(=O)N1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001154807936 800849666 /nfs/dbraw/zinc/84/96/66/800849666.db2.gz MQLKSFIFJSIYSD-UHFFFAOYSA-N 1 2 294.380 0.619 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nnc(Cl)cc2C#N)C1 ZINC001155194113 800926510 /nfs/dbraw/zinc/92/65/10/800926510.db2.gz OTFPOWLRMDXBHB-VIFPVBQESA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nnc(Cl)cc2C#N)C1 ZINC001155194113 800926514 /nfs/dbraw/zinc/92/65/14/800926514.db2.gz OTFPOWLRMDXBHB-VIFPVBQESA-N 1 2 267.720 0.744 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)cc(C)n2)C[NH2+]1 ZINC001156249589 801140518 /nfs/dbraw/zinc/14/05/18/801140518.db2.gz NKNNKJAUMNANQF-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(Cl)ncc1C#N ZINC001157770655 801476128 /nfs/dbraw/zinc/47/61/28/801476128.db2.gz ONORRQZETZLBAN-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(Cl)ncc1C#N ZINC001157770655 801476131 /nfs/dbraw/zinc/47/61/31/801476131.db2.gz ONORRQZETZLBAN-VIFPVBQESA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(C#N)c1F ZINC001157772179 801479209 /nfs/dbraw/zinc/47/92/09/801479209.db2.gz DMPQRFOJBBQUKT-SNVBAGLBSA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(C#N)c1F ZINC001157772179 801479214 /nfs/dbraw/zinc/47/92/14/801479214.db2.gz DMPQRFOJBBQUKT-SNVBAGLBSA-N 1 2 278.287 0.386 20 30 CCEDLO C=CCONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001158209084 801595985 /nfs/dbraw/zinc/59/59/85/801595985.db2.gz ZPEWOVMAKIISIB-UHFFFAOYSA-N 1 2 278.356 0.866 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(CC#N)ccn2)C[NH2+]1 ZINC001158254989 801605759 /nfs/dbraw/zinc/60/57/59/801605759.db2.gz MQUWWCQJWQZEBM-MNOVXSKESA-N 1 2 260.297 0.463 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)ccc2C#N)C[NH2+]1 ZINC001158254872 801605812 /nfs/dbraw/zinc/60/58/12/801605812.db2.gz WKQCTPBYSLQLRB-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO C=C(C)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001159014741 801739064 /nfs/dbraw/zinc/73/90/64/801739064.db2.gz GMVSDGXUIMCUSR-UHFFFAOYSA-N 1 2 266.349 0.162 20 30 CCEDLO Cc1ncc(C#N)c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162848741 802427150 /nfs/dbraw/zinc/42/71/50/802427150.db2.gz CGJDHVUGCLBVIA-JTQLQIEISA-N 1 2 277.328 0.160 20 30 CCEDLO C#C[C@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001163161487 802498816 /nfs/dbraw/zinc/49/88/16/802498816.db2.gz KUHNRICGVXPECS-VHSXEESVSA-N 1 2 259.313 0.364 20 30 CCEDLO C#C[C@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001163161487 802498818 /nfs/dbraw/zinc/49/88/18/802498818.db2.gz KUHNRICGVXPECS-VHSXEESVSA-N 1 2 259.313 0.364 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001265274853 809741048 /nfs/dbraw/zinc/74/10/48/809741048.db2.gz IQWATZCNMAUZKC-LBPRGKRZSA-N 1 2 293.371 0.191 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001265274853 809741051 /nfs/dbraw/zinc/74/10/51/809741051.db2.gz IQWATZCNMAUZKC-LBPRGKRZSA-N 1 2 293.371 0.191 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164346772 802726804 /nfs/dbraw/zinc/72/68/04/802726804.db2.gz XACHVPDAOJUSNB-LLVKDONJSA-N 1 2 280.376 0.408 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001267807658 811803858 /nfs/dbraw/zinc/80/38/58/811803858.db2.gz AKJOIGDQZQZMCV-NSHDSACASA-N 1 2 294.403 0.797 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208452385 803515355 /nfs/dbraw/zinc/51/53/55/803515355.db2.gz JBPWBMXATPNKSK-CHWSQXEVSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208452385 803515359 /nfs/dbraw/zinc/51/53/59/803515359.db2.gz JBPWBMXATPNKSK-CHWSQXEVSA-N 1 2 292.383 0.419 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)CC)C1 ZINC001211350395 803676369 /nfs/dbraw/zinc/67/63/69/803676369.db2.gz RYZUTEVTJYTOCU-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)CC)C1 ZINC001211350395 803676373 /nfs/dbraw/zinc/67/63/73/803676373.db2.gz RYZUTEVTJYTOCU-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC)[C@H]2C1 ZINC001217366605 803888236 /nfs/dbraw/zinc/88/82/36/803888236.db2.gz RWHJOVFLCPYSEF-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC)[C@H]2C1 ZINC001217366605 803888243 /nfs/dbraw/zinc/88/82/43/803888243.db2.gz RWHJOVFLCPYSEF-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC3CC3)[C@H]2C1 ZINC001217463902 803891925 /nfs/dbraw/zinc/89/19/25/803891925.db2.gz UZKIRPMUALETOE-VHDGCEQUSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC3CC3)[C@H]2C1 ZINC001217463902 803891932 /nfs/dbraw/zinc/89/19/32/803891932.db2.gz UZKIRPMUALETOE-VHDGCEQUSA-N 1 2 292.379 0.346 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041293 814983792 /nfs/dbraw/zinc/98/37/92/814983792.db2.gz KYNJYXKDCVBJSX-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041293 814983797 /nfs/dbraw/zinc/98/37/97/814983797.db2.gz KYNJYXKDCVBJSX-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO N#Cc1[nH]cnc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001218594448 804026151 /nfs/dbraw/zinc/02/61/51/804026151.db2.gz JOVBEMKTYOXIBZ-LLVKDONJSA-N 1 2 267.292 0.934 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173567 804224092 /nfs/dbraw/zinc/22/40/92/804224092.db2.gz MYMAARRDVKDNLS-ZNMIVQPWSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173567 804224100 /nfs/dbraw/zinc/22/41/00/804224100.db2.gz MYMAARRDVKDNLS-ZNMIVQPWSA-N 1 2 292.379 0.154 20 30 CCEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)o1 ZINC001219381180 804292492 /nfs/dbraw/zinc/29/24/92/804292492.db2.gz JWXSSGXQENEBNV-AXTRIDKLSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)o1 ZINC001219381180 804292499 /nfs/dbraw/zinc/29/24/99/804292499.db2.gz JWXSSGXQENEBNV-AXTRIDKLSA-N 1 2 292.339 0.112 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 ZINC001219574886 804356199 /nfs/dbraw/zinc/35/61/99/804356199.db2.gz PAIQMDITODMNAH-CABCVRRESA-N 1 2 292.379 0.298 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 ZINC001219574886 804356205 /nfs/dbraw/zinc/35/62/05/804356205.db2.gz PAIQMDITODMNAH-CABCVRRESA-N 1 2 292.379 0.298 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913245 804447311 /nfs/dbraw/zinc/44/73/11/804447311.db2.gz IEVCGMLFESQDDZ-MBNYWOFBSA-N 1 2 270.348 0.699 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913245 804447317 /nfs/dbraw/zinc/44/73/17/804447317.db2.gz IEVCGMLFESQDDZ-MBNYWOFBSA-N 1 2 270.348 0.699 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC001220199180 804534486 /nfs/dbraw/zinc/53/44/86/804534486.db2.gz IJJAGGSFEHJTNS-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC001220199180 804534488 /nfs/dbraw/zinc/53/44/88/804534488.db2.gz IJJAGGSFEHJTNS-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448760 804606775 /nfs/dbraw/zinc/60/67/75/804606775.db2.gz VPRGCNNNQBRBEZ-YUTCNCBUSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448760 804606779 /nfs/dbraw/zinc/60/67/79/804606779.db2.gz VPRGCNNNQBRBEZ-YUTCNCBUSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)C(C)C)[C@@H](O)C1 ZINC001220451916 804607666 /nfs/dbraw/zinc/60/76/66/804607666.db2.gz MNSVXYDWQSLTDU-MCIONIFRSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)C(C)C)[C@@H](O)C1 ZINC001220451916 804607669 /nfs/dbraw/zinc/60/76/69/804607669.db2.gz MNSVXYDWQSLTDU-MCIONIFRSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)[C@@H](O)C1 ZINC001220810728 804671543 /nfs/dbraw/zinc/67/15/43/804671543.db2.gz BLCODCWRQAWRDO-QLFBSQMISA-N 1 2 288.347 0.169 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)[C@@H](O)C1 ZINC001220810728 804671546 /nfs/dbraw/zinc/67/15/46/804671546.db2.gz BLCODCWRQAWRDO-QLFBSQMISA-N 1 2 288.347 0.169 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CSC)[C@@H]2C1 ZINC001221245437 804756382 /nfs/dbraw/zinc/75/63/82/804756382.db2.gz MZGDIFOZXKZKDG-VXGBXAGGSA-N 1 2 297.424 0.184 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CSC)[C@@H]2C1 ZINC001221245437 804756388 /nfs/dbraw/zinc/75/63/88/804756388.db2.gz MZGDIFOZXKZKDG-VXGBXAGGSA-N 1 2 297.424 0.184 20 30 CCEDLO C=CCCC(=O)NCC1CC[NH+](Cc2nnnn2C)CC1 ZINC001222573915 804917434 /nfs/dbraw/zinc/91/74/34/804917434.db2.gz NFCUNVSEVPZCGL-UHFFFAOYSA-N 1 2 292.387 0.505 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001276883294 804967010 /nfs/dbraw/zinc/96/70/10/804967010.db2.gz HAMLMXUTRPNAHX-GFCCVEGCSA-N 1 2 288.351 0.247 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001276883294 804967011 /nfs/dbraw/zinc/96/70/11/804967011.db2.gz HAMLMXUTRPNAHX-GFCCVEGCSA-N 1 2 288.351 0.247 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1C ZINC001088646110 815046526 /nfs/dbraw/zinc/04/65/26/815046526.db2.gz BAFCWWNQHCWPQQ-GRYCIOLGSA-N 1 2 299.802 0.987 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1C ZINC001088646110 815046531 /nfs/dbraw/zinc/04/65/31/815046531.db2.gz BAFCWWNQHCWPQQ-GRYCIOLGSA-N 1 2 299.802 0.987 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4c[nH]nc4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229235778 805515592 /nfs/dbraw/zinc/51/55/92/805515592.db2.gz HHGKZECARWJTDK-LSVRBPJHSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4c[nH]nc4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229235778 805515596 /nfs/dbraw/zinc/51/55/96/805515596.db2.gz HHGKZECARWJTDK-LSVRBPJHSA-N 1 2 272.308 0.949 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001278342798 806992995 /nfs/dbraw/zinc/99/29/95/806992995.db2.gz ZLVKGRDAWUYXTB-OAHLLOKOSA-N 1 2 288.395 0.532 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CC23CC3)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278427623 807134440 /nfs/dbraw/zinc/13/44/40/807134440.db2.gz XHRLRTPKWTXOTN-BXUZGUMPSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CC23CC3)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278427623 807134444 /nfs/dbraw/zinc/13/44/44/807134444.db2.gz XHRLRTPKWTXOTN-BXUZGUMPSA-N 1 2 290.367 0.007 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247630845 807473488 /nfs/dbraw/zinc/47/34/88/807473488.db2.gz OIXFDWUJJDGFFO-JTQLQIEISA-N 1 2 290.254 0.790 20 30 CCEDLO C=CCCNC(=S)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001247636468 807475017 /nfs/dbraw/zinc/47/50/17/807475017.db2.gz QZWVITOSLTYFDR-JTQLQIEISA-N 1 2 271.386 0.226 20 30 CCEDLO C=CCCNC(=S)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001247636468 807475024 /nfs/dbraw/zinc/47/50/24/807475024.db2.gz QZWVITOSLTYFDR-JTQLQIEISA-N 1 2 271.386 0.226 20 30 CCEDLO C=CCCCNC(=S)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001247770649 807489775 /nfs/dbraw/zinc/48/97/75/807489775.db2.gz BHZQAWJKIFONIH-NSHDSACASA-N 1 2 269.414 0.890 20 30 CCEDLO C=CCCCNC(=S)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001247770649 807489780 /nfs/dbraw/zinc/48/97/80/807489780.db2.gz BHZQAWJKIFONIH-NSHDSACASA-N 1 2 269.414 0.890 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278494248 807494789 /nfs/dbraw/zinc/49/47/89/807494789.db2.gz OBVSJQYBQUKESU-VXGBXAGGSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278494248 807494793 /nfs/dbraw/zinc/49/47/93/807494793.db2.gz OBVSJQYBQUKESU-VXGBXAGGSA-N 1 2 280.372 0.395 20 30 CCEDLO C[S@@](=O)CC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001249250665 807548642 /nfs/dbraw/zinc/54/86/42/807548642.db2.gz YLKKFTKTTYQYCC-GWNMQOMSSA-N 1 2 291.336 0.772 20 30 CCEDLO C#CCOC[C@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001251826061 807711586 /nfs/dbraw/zinc/71/15/86/807711586.db2.gz IMNIUNVURQISPI-GFCCVEGCSA-N 1 2 250.298 0.903 20 30 CCEDLO C#CCOC[C@@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001251825041 807711623 /nfs/dbraw/zinc/71/16/23/807711623.db2.gz SGZNIHATJLSCCC-ZDUSSCGKSA-N 1 2 291.351 0.341 20 30 CCEDLO C=CCOC[C@H](O)CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001252468967 807879010 /nfs/dbraw/zinc/87/90/10/807879010.db2.gz SGLBIUNFSXEXLM-CYBMUJFWSA-N 1 2 290.354 0.965 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252498493 807896649 /nfs/dbraw/zinc/89/66/49/807896649.db2.gz NRXNNUBGFVWKIV-LLVKDONJSA-N 1 2 259.346 0.871 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC001253679377 808112644 /nfs/dbraw/zinc/11/26/44/808112644.db2.gz DLHJTISWJVVXCZ-GFCCVEGCSA-N 1 2 283.372 0.220 20 30 CCEDLO C[C@H]([NH2+]CCNC(=O)C#CC1CC1)c1csnn1 ZINC001126881653 815180446 /nfs/dbraw/zinc/18/04/46/815180446.db2.gz XLCSEIYSFNTIJA-VIFPVBQESA-N 1 2 264.354 0.718 20 30 CCEDLO C=C(C)C(=O)OCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001254135079 808188692 /nfs/dbraw/zinc/18/86/92/808188692.db2.gz OGMCLQWBZPXZHB-UHFFFAOYSA-N 1 2 274.280 0.774 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(CC(=O)OCC)CC1)C(=O)OC ZINC001254396173 808232413 /nfs/dbraw/zinc/23/24/13/808232413.db2.gz LRJYVTYUNOIDHO-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO C=CC[C@H](NC1CC[NH+](CC(=O)OCC)CC1)C(=O)OC ZINC001254396173 808232419 /nfs/dbraw/zinc/23/24/19/808232419.db2.gz LRJYVTYUNOIDHO-ZDUSSCGKSA-N 1 2 298.383 0.721 20 30 CCEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001255163280 808323466 /nfs/dbraw/zinc/32/34/66/808323466.db2.gz FMKZOPMHVRTKET-AXFHLTTASA-N 1 2 268.361 0.283 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001255327917 808345317 /nfs/dbraw/zinc/34/53/17/808345317.db2.gz PBABBWRRRWGDPE-GHMZBOCLSA-N 1 2 264.329 0.698 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001278862980 808351968 /nfs/dbraw/zinc/35/19/68/808351968.db2.gz GJSXISKZMZLEFH-QWHCGFSZSA-N 1 2 282.359 0.701 20 30 CCEDLO C[C@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@@H]1C#N ZINC001255815575 808431031 /nfs/dbraw/zinc/43/10/31/808431031.db2.gz FWNYAQISMSSJOQ-OLZOCXBDSA-N 1 2 293.392 0.646 20 30 CCEDLO C=CCOCC[NH+]1CC(OC2CCN(C(C)=O)CC2)C1 ZINC001105679746 815228184 /nfs/dbraw/zinc/22/81/84/815228184.db2.gz CPWUNZNENIWULK-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCCC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001261501568 808999503 /nfs/dbraw/zinc/99/95/03/808999503.db2.gz FTEAGNBXUWRBLN-NSHDSACASA-N 1 2 254.330 0.706 20 30 CCEDLO C=C(CC)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001263732696 809560483 /nfs/dbraw/zinc/56/04/83/809560483.db2.gz NSMGJOCHJZNZIR-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263748913 809561714 /nfs/dbraw/zinc/56/17/14/809561714.db2.gz LJOAPZRTEGIEBF-UHFFFAOYSA-N 1 2 269.345 0.263 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263748913 809561719 /nfs/dbraw/zinc/56/17/19/809561719.db2.gz LJOAPZRTEGIEBF-UHFFFAOYSA-N 1 2 269.345 0.263 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC001263820907 809578946 /nfs/dbraw/zinc/57/89/46/809578946.db2.gz JLKVSPDCZNGDAY-LLVKDONJSA-N 1 2 290.323 0.087 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC001263820907 809578950 /nfs/dbraw/zinc/57/89/50/809578950.db2.gz JLKVSPDCZNGDAY-LLVKDONJSA-N 1 2 290.323 0.087 20 30 CCEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001264188290 809637385 /nfs/dbraw/zinc/63/73/85/809637385.db2.gz CCGJWOVTKOTAHP-SNVBAGLBSA-N 1 2 288.376 0.910 20 30 CCEDLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265265448 809736384 /nfs/dbraw/zinc/73/63/84/809736384.db2.gz YRTJUTWPZGRZNM-GDBMZVCRSA-N 1 2 292.427 0.926 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265283867 809747300 /nfs/dbraw/zinc/74/73/00/809747300.db2.gz JLEQLUUPWTYZHG-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265283867 809747302 /nfs/dbraw/zinc/74/73/02/809747302.db2.gz JLEQLUUPWTYZHG-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265297565 809749900 /nfs/dbraw/zinc/74/99/00/809749900.db2.gz TWBKGSYRVWSKST-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265297565 809749905 /nfs/dbraw/zinc/74/99/05/809749905.db2.gz TWBKGSYRVWSKST-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001265297570 809751005 /nfs/dbraw/zinc/75/10/05/809751005.db2.gz TWRLKTWXFBSLPC-CJNGLKHVSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001265297570 809751010 /nfs/dbraw/zinc/75/10/10/809751010.db2.gz TWRLKTWXFBSLPC-CJNGLKHVSA-N 1 2 289.379 0.283 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC001265366607 809765744 /nfs/dbraw/zinc/76/57/44/809765744.db2.gz QNQJQWBSTDRVLM-NSHDSACASA-N 1 2 292.387 0.407 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001076649808 815327375 /nfs/dbraw/zinc/32/73/75/815327375.db2.gz BJBPURFDAJZLMJ-HUUCEWRRSA-N 1 2 292.766 0.873 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001076649808 815327381 /nfs/dbraw/zinc/32/73/81/815327381.db2.gz BJBPURFDAJZLMJ-HUUCEWRRSA-N 1 2 292.766 0.873 20 30 CCEDLO C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280211954 810009229 /nfs/dbraw/zinc/00/92/29/810009229.db2.gz ATYVOTWGGRUZFI-VXGBXAGGSA-N 1 2 278.356 0.859 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001038505469 815352639 /nfs/dbraw/zinc/35/26/39/815352639.db2.gz YUXWFSYJNWDMJE-SNVBAGLBSA-N 1 2 284.323 0.180 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001038505469 815352641 /nfs/dbraw/zinc/35/26/41/815352641.db2.gz YUXWFSYJNWDMJE-SNVBAGLBSA-N 1 2 284.323 0.180 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@@H](O)C1 ZINC001083555904 815416524 /nfs/dbraw/zinc/41/65/24/815416524.db2.gz GRYJGXVLJZVLGB-KGLIPLIRSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@@H](O)C1 ZINC001083555904 815416528 /nfs/dbraw/zinc/41/65/28/815416528.db2.gz GRYJGXVLJZVLGB-KGLIPLIRSA-N 1 2 299.330 0.544 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457243 811143427 /nfs/dbraw/zinc/14/34/27/811143427.db2.gz KZABHJYLFSHIHH-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457243 811143439 /nfs/dbraw/zinc/14/34/39/811143439.db2.gz KZABHJYLFSHIHH-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457243 811143446 /nfs/dbraw/zinc/14/34/46/811143446.db2.gz KZABHJYLFSHIHH-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457243 811143452 /nfs/dbraw/zinc/14/34/52/811143452.db2.gz KZABHJYLFSHIHH-SNVBAGLBSA-N 1 2 283.763 0.999 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001076992225 815427616 /nfs/dbraw/zinc/42/76/16/815427616.db2.gz KJHTWYWVCKOVJW-ZIAGYGMSSA-N 1 2 299.374 0.298 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001076992225 815427618 /nfs/dbraw/zinc/42/76/18/815427618.db2.gz KJHTWYWVCKOVJW-ZIAGYGMSSA-N 1 2 299.374 0.298 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001077014934 815431397 /nfs/dbraw/zinc/43/13/97/815431397.db2.gz URGVAZIGLWRBAQ-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001077014934 815431400 /nfs/dbraw/zinc/43/14/00/815431400.db2.gz URGVAZIGLWRBAQ-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@@H](O)C1 ZINC001083560859 815436723 /nfs/dbraw/zinc/43/67/23/815436723.db2.gz VPZUHOMOYALGOY-RTXFEEFZSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@@H](O)C1 ZINC001083560859 815436726 /nfs/dbraw/zinc/43/67/26/815436726.db2.gz VPZUHOMOYALGOY-RTXFEEFZSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001077067205 815441652 /nfs/dbraw/zinc/44/16/52/815441652.db2.gz REYGBAHMMAQRDM-VXGBXAGGSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001077067205 815441654 /nfs/dbraw/zinc/44/16/54/815441654.db2.gz REYGBAHMMAQRDM-VXGBXAGGSA-N 1 2 278.377 0.773 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000694866809 811521838 /nfs/dbraw/zinc/52/18/38/811521838.db2.gz HHNUPDSPVAMKPS-HUUCEWRRSA-N 1 2 276.336 0.675 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000694866809 811521844 /nfs/dbraw/zinc/52/18/44/811521844.db2.gz HHNUPDSPVAMKPS-HUUCEWRRSA-N 1 2 276.336 0.675 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C(C)C)CC1 ZINC001267606003 811546426 /nfs/dbraw/zinc/54/64/26/811546426.db2.gz KGHYDYUDSWZZGF-UHFFFAOYSA-N 1 2 253.390 0.904 20 30 CCEDLO COCC(C)(C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267609353 811559591 /nfs/dbraw/zinc/55/95/91/811559591.db2.gz XBBMVJVLUOGIFR-UHFFFAOYSA-N 1 2 296.415 0.259 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCCF)CC1 ZINC001267609141 811560029 /nfs/dbraw/zinc/56/00/29/811560029.db2.gz QJXNWQIAIQVEEC-UHFFFAOYSA-N 1 2 271.380 0.998 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001077197876 815457815 /nfs/dbraw/zinc/45/78/15/815457815.db2.gz KVRVEGXMAGMQSL-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001077197876 815457817 /nfs/dbraw/zinc/45/78/17/815457817.db2.gz KVRVEGXMAGMQSL-VXGBXAGGSA-N 1 2 277.324 0.090 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)COc2c(C)occc2=O)C1 ZINC001267652113 811619837 /nfs/dbraw/zinc/61/98/37/811619837.db2.gz HOYFEUSJTYGZGT-UHFFFAOYSA-N 1 2 292.335 0.704 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCc2nc(C)no2)C1 ZINC001267655765 811623038 /nfs/dbraw/zinc/62/30/38/811623038.db2.gz RPDHAAGZASLEJW-UHFFFAOYSA-N 1 2 250.302 0.297 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CSC)C2)nn1 ZINC001098604588 811633395 /nfs/dbraw/zinc/63/33/95/811633395.db2.gz STUKEBXHJKNCSN-GFCCVEGCSA-N 1 2 293.396 0.137 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1nc(C)no1 ZINC001267716289 811677554 /nfs/dbraw/zinc/67/75/54/811677554.db2.gz JJOCVQGTAWSEQL-STQMWFEESA-N 1 2 288.351 0.619 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1nc(C)no1 ZINC001267716289 811677563 /nfs/dbraw/zinc/67/75/63/811677563.db2.gz JJOCVQGTAWSEQL-STQMWFEESA-N 1 2 288.351 0.619 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001077224133 815462480 /nfs/dbraw/zinc/46/24/80/815462480.db2.gz ZHWBPPGQFKYXDU-JHJVBQTASA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001077224133 815462481 /nfs/dbraw/zinc/46/24/81/815462481.db2.gz ZHWBPPGQFKYXDU-JHJVBQTASA-N 1 2 262.353 0.361 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826174 811734087 /nfs/dbraw/zinc/73/40/87/811734087.db2.gz SHDDXIIRWWALCE-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267766833 811763845 /nfs/dbraw/zinc/76/38/45/811763845.db2.gz ASZSQMPCRPXIST-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267766833 811763849 /nfs/dbraw/zinc/76/38/49/811763849.db2.gz ASZSQMPCRPXIST-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267773787 811773570 /nfs/dbraw/zinc/77/35/70/811773570.db2.gz QFRUNOOTRQMGNJ-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267773787 811773574 /nfs/dbraw/zinc/77/35/74/811773574.db2.gz QFRUNOOTRQMGNJ-LLVKDONJSA-N 1 2 267.373 0.607 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083295763 811799248 /nfs/dbraw/zinc/79/92/48/811799248.db2.gz MPNJKWRIEQENMZ-CABCVRRESA-N 1 2 276.311 0.358 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083295763 811799254 /nfs/dbraw/zinc/79/92/54/811799254.db2.gz MPNJKWRIEQENMZ-CABCVRRESA-N 1 2 276.311 0.358 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(CNCC#N)C1CC1 ZINC001267860730 811840010 /nfs/dbraw/zinc/84/00/10/811840010.db2.gz QNKFOLAFBLBHRK-NHYWBVRUSA-N 1 2 289.383 0.986 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(CNCC#N)C1CC1 ZINC001267860730 811840017 /nfs/dbraw/zinc/84/00/17/811840017.db2.gz QNKFOLAFBLBHRK-NHYWBVRUSA-N 1 2 289.383 0.986 20 30 CCEDLO C[C@](CNCC#N)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267859392 811840388 /nfs/dbraw/zinc/84/03/88/811840388.db2.gz AKIVWDVHCNTFDI-CYBMUJFWSA-N 1 2 261.329 0.350 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H](O)C1 ZINC001083571520 815479273 /nfs/dbraw/zinc/47/92/73/815479273.db2.gz AMPAKHDVDCHIIY-ICRTXTNUSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H](O)C1 ZINC001083571520 815479277 /nfs/dbraw/zinc/47/92/77/815479277.db2.gz AMPAKHDVDCHIIY-ICRTXTNUSA-N 1 2 262.353 0.361 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105144527 811857477 /nfs/dbraw/zinc/85/74/77/811857477.db2.gz GOYWSJOLRGBXJG-SMDDNHRTSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001077344653 815483802 /nfs/dbraw/zinc/48/38/02/815483802.db2.gz UMHGWQBEMGEUTC-CHWSQXEVSA-N 1 2 276.336 0.613 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001077344653 815483810 /nfs/dbraw/zinc/48/38/10/815483810.db2.gz UMHGWQBEMGEUTC-CHWSQXEVSA-N 1 2 276.336 0.613 20 30 CCEDLO C=CC(Nc1cc(=O)[nH]c(=O)n1C1CC1)=[NH+]COC ZINC001167761093 811908459 /nfs/dbraw/zinc/90/84/59/811908459.db2.gz MNPTVKFSOXEXQD-UHFFFAOYSA-N 1 2 264.285 0.884 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001268022964 811976060 /nfs/dbraw/zinc/97/60/60/811976060.db2.gz AWTNFJQGIDXVSQ-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001268022964 811976063 /nfs/dbraw/zinc/97/60/63/811976063.db2.gz AWTNFJQGIDXVSQ-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001077383878 815489242 /nfs/dbraw/zinc/48/92/42/815489242.db2.gz ZHKVGUHOPBWEQH-ZIAGYGMSSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001077383878 815489243 /nfs/dbraw/zinc/48/92/43/815489243.db2.gz ZHKVGUHOPBWEQH-ZIAGYGMSSA-N 1 2 287.363 0.497 20 30 CCEDLO N#CCNC1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001268035073 812055436 /nfs/dbraw/zinc/05/54/36/812055436.db2.gz GJNGUHHOXQEPKR-UHFFFAOYSA-N 1 2 275.356 0.884 20 30 CCEDLO N#CCNC1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001268035073 812055445 /nfs/dbraw/zinc/05/54/45/812055445.db2.gz GJNGUHHOXQEPKR-UHFFFAOYSA-N 1 2 275.356 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083313184 812086182 /nfs/dbraw/zinc/08/61/82/812086182.db2.gz XLBQCTDVQKYOSE-MNOVXSKESA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083313184 812086192 /nfs/dbraw/zinc/08/61/92/812086192.db2.gz XLBQCTDVQKYOSE-MNOVXSKESA-N 1 2 264.350 0.465 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC1CC1 ZINC001268237561 812401500 /nfs/dbraw/zinc/40/15/00/812401500.db2.gz LMYHQKJWWXHCBR-UHFFFAOYSA-N 1 2 279.384 0.315 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC1CC1 ZINC001268237561 812401505 /nfs/dbraw/zinc/40/15/05/812401505.db2.gz LMYHQKJWWXHCBR-UHFFFAOYSA-N 1 2 279.384 0.315 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cc[nH]c2C)C1 ZINC001268263609 812429486 /nfs/dbraw/zinc/42/94/86/812429486.db2.gz DGMWDVFIKZBFOK-UHFFFAOYSA-N 1 2 263.341 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001083603132 815530973 /nfs/dbraw/zinc/53/09/73/815530973.db2.gz GYIXGCMTTRNLAT-CABCVRRESA-N 1 2 290.338 0.796 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001083603132 815530977 /nfs/dbraw/zinc/53/09/77/815530977.db2.gz GYIXGCMTTRNLAT-CABCVRRESA-N 1 2 290.338 0.796 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccnn2CCC)C1 ZINC001268311301 812471613 /nfs/dbraw/zinc/47/16/13/812471613.db2.gz VTUQMFNFDKKRMY-UHFFFAOYSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038965779 812482140 /nfs/dbraw/zinc/48/21/40/812482140.db2.gz WGCHFTGRIYNTES-SNVBAGLBSA-N 1 2 264.304 0.305 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038965779 812482144 /nfs/dbraw/zinc/48/21/44/812482144.db2.gz WGCHFTGRIYNTES-SNVBAGLBSA-N 1 2 264.304 0.305 20 30 CCEDLO N#CCN1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042373108 815540710 /nfs/dbraw/zinc/54/07/10/815540710.db2.gz DLIRTXSCMHKFSF-STQMWFEESA-N 1 2 273.340 0.329 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001268485221 812663020 /nfs/dbraw/zinc/66/30/20/812663020.db2.gz POFVDVPOIOMFJU-NSHDSACASA-N 1 2 289.335 0.222 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001126364764 812676763 /nfs/dbraw/zinc/67/67/63/812676763.db2.gz BNGNLCZLDIHHOA-LLVKDONJSA-N 1 2 270.358 0.071 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001126366685 812684753 /nfs/dbraw/zinc/68/47/53/812684753.db2.gz XUGUVVIOWHHIPT-CQSZACIVSA-N 1 2 278.356 0.318 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 ZINC001268496088 812706407 /nfs/dbraw/zinc/70/64/07/812706407.db2.gz OEZOECMYPJNOOV-HNNXBMFYSA-N 1 2 291.395 0.457 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCC1(CNCC#N)CC1 ZINC001167942625 813044791 /nfs/dbraw/zinc/04/47/91/813044791.db2.gz ZMBQIHYUCYLJEJ-UHFFFAOYSA-N 1 2 289.383 0.752 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028636587 813074310 /nfs/dbraw/zinc/07/43/10/813074310.db2.gz CUOBZLMRCKWGRJ-STQMWFEESA-N 1 2 287.367 0.407 20 30 CCEDLO O=C(CCS)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001268960069 813161872 /nfs/dbraw/zinc/16/18/72/813161872.db2.gz VTWSYNURSSIMJS-UHFFFAOYSA-N 1 2 280.397 0.490 20 30 CCEDLO O=C(CCS)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001268960069 813161873 /nfs/dbraw/zinc/16/18/73/813161873.db2.gz VTWSYNURSSIMJS-UHFFFAOYSA-N 1 2 280.397 0.490 20 30 CCEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001059079185 813238982 /nfs/dbraw/zinc/23/89/82/813238982.db2.gz BCZJYXZDNCEYSK-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001269150926 813242048 /nfs/dbraw/zinc/24/20/48/813242048.db2.gz DVXLSCWYYMIOSH-IUODEOHRSA-N 1 2 297.399 0.152 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001269150926 813242050 /nfs/dbraw/zinc/24/20/50/813242050.db2.gz DVXLSCWYYMIOSH-IUODEOHRSA-N 1 2 297.399 0.152 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001269200487 813260394 /nfs/dbraw/zinc/26/03/94/813260394.db2.gz WHKCNQCXOUINPD-TZMCWYRMSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001269200487 813260402 /nfs/dbraw/zinc/26/04/02/813260402.db2.gz WHKCNQCXOUINPD-TZMCWYRMSA-N 1 2 291.395 0.363 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001269240699 813285586 /nfs/dbraw/zinc/28/55/86/813285586.db2.gz NIZDOPVVNFANGV-NWDGAFQWSA-N 1 2 293.367 0.338 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001269240699 813285595 /nfs/dbraw/zinc/28/55/95/813285595.db2.gz NIZDOPVVNFANGV-NWDGAFQWSA-N 1 2 293.367 0.338 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(C)no1 ZINC001269377382 813347621 /nfs/dbraw/zinc/34/76/21/813347621.db2.gz FCYJZQFPBXRAJW-WPRPVWTQSA-N 1 2 265.317 0.522 20 30 CCEDLO CC#CC[NH2+]C1(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001269442471 813372569 /nfs/dbraw/zinc/37/25/69/813372569.db2.gz HCDXBSKZJZZMOJ-UHFFFAOYSA-N 1 2 272.352 0.774 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270577713 813819696 /nfs/dbraw/zinc/81/96/96/813819696.db2.gz SIVHNXSCHBWKIC-WFASDCNBSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270577713 813819705 /nfs/dbraw/zinc/81/97/05/813819705.db2.gz SIVHNXSCHBWKIC-WFASDCNBSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270577710 813820633 /nfs/dbraw/zinc/82/06/33/813820633.db2.gz SIVHNXSCHBWKIC-DOMZBBRYSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270577710 813820643 /nfs/dbraw/zinc/82/06/43/813820643.db2.gz SIVHNXSCHBWKIC-DOMZBBRYSA-N 1 2 294.399 0.643 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859576 813980032 /nfs/dbraw/zinc/98/00/32/813980032.db2.gz LLECCXMWKFJPHW-CHWSQXEVSA-N 1 2 268.357 0.108 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859576 813980041 /nfs/dbraw/zinc/98/00/41/813980041.db2.gz LLECCXMWKFJPHW-CHWSQXEVSA-N 1 2 268.357 0.108 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001042532542 814319458 /nfs/dbraw/zinc/31/94/58/814319458.db2.gz ADPPQBPZOASFTL-MNOVXSKESA-N 1 2 252.314 0.124 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](CCOCC)C1 ZINC001271334843 814384045 /nfs/dbraw/zinc/38/40/45/814384045.db2.gz CMKMZHXEYXFGFH-UHFFFAOYSA-N 1 2 270.373 0.398 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001271351398 814387732 /nfs/dbraw/zinc/38/77/32/814387732.db2.gz XGLYJOVYWAFGEI-GXTWGEPZSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2c(C)onc2CC)C1 ZINC001271388323 814399450 /nfs/dbraw/zinc/39/94/50/814399450.db2.gz WGTRANPLAQAALZ-UHFFFAOYSA-N 1 2 291.351 0.345 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001271387727 814400047 /nfs/dbraw/zinc/40/00/47/814400047.db2.gz AFLACDHAYPTOHA-UHFFFAOYSA-N 1 2 291.395 0.995 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001127051678 815605075 /nfs/dbraw/zinc/60/50/75/815605075.db2.gz LBDXVUUGBFQACN-ZJUUUORDSA-N 1 2 280.328 0.183 20 30 CCEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001105419175 814622624 /nfs/dbraw/zinc/62/26/24/814622624.db2.gz JOUMTYONVSBUAN-UHFFFAOYSA-N 1 2 299.338 0.140 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001127032494 815582336 /nfs/dbraw/zinc/58/23/36/815582336.db2.gz YGLIOXFDPMLNQO-JTQLQIEISA-N 1 2 282.369 0.345 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088481682 814730298 /nfs/dbraw/zinc/73/02/98/814730298.db2.gz RQUHONGVSGJVRZ-BDAKNGLRSA-N 1 2 250.327 0.364 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088481682 814730303 /nfs/dbraw/zinc/73/03/03/814730303.db2.gz RQUHONGVSGJVRZ-BDAKNGLRSA-N 1 2 250.327 0.364 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)c1 ZINC001030194543 815878562 /nfs/dbraw/zinc/87/85/62/815878562.db2.gz MFNKIISDSXCAFI-CYBMUJFWSA-N 1 2 288.351 0.869 20 30 CCEDLO C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)O1 ZINC001030196194 815880981 /nfs/dbraw/zinc/88/09/81/815880981.db2.gz LASMZBNKHYCLAH-ZWNOBZJWSA-N 1 2 288.351 0.868 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030331955 815979467 /nfs/dbraw/zinc/97/94/67/815979467.db2.gz SFLWLSQXDFSCKB-OLZOCXBDSA-N 1 2 268.357 0.414 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001030526017 816086195 /nfs/dbraw/zinc/08/61/95/816086195.db2.gz YRNSLWGDIVDEEB-CYBMUJFWSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001030560872 816109795 /nfs/dbraw/zinc/10/97/95/816109795.db2.gz PGUPTSVCMKLRBL-STQMWFEESA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001030607382 816143308 /nfs/dbraw/zinc/14/33/08/816143308.db2.gz MLELEEKHJQMYCE-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001030681066 816210572 /nfs/dbraw/zinc/21/05/72/816210572.db2.gz RDQLESHWSKPBOL-UHFFFAOYSA-N 1 2 282.294 0.795 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC3(F)F)CC2)C1 ZINC001046026371 816294110 /nfs/dbraw/zinc/29/41/10/816294110.db2.gz UVDUVSQDUMALRD-NWDGAFQWSA-N 1 2 298.337 0.384 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001030859310 816355686 /nfs/dbraw/zinc/35/56/86/816355686.db2.gz FETFKEUKMPOCHH-LBPRGKRZSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001030967920 816514442 /nfs/dbraw/zinc/51/44/42/816514442.db2.gz LUYHWVZZIHQTKZ-MNOVXSKESA-N 1 2 265.357 0.265 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001031129341 816677680 /nfs/dbraw/zinc/67/76/80/816677680.db2.gz OGOOQFTWYWRDKU-HNNXBMFYSA-N 1 2 297.358 0.685 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001083729423 816759580 /nfs/dbraw/zinc/75/95/80/816759580.db2.gz UKVBHYLPNQYIAG-OLZOCXBDSA-N 1 2 274.320 0.565 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001083729423 816759585 /nfs/dbraw/zinc/75/95/85/816759585.db2.gz UKVBHYLPNQYIAG-OLZOCXBDSA-N 1 2 274.320 0.565 20 30 CCEDLO C[C@H](CCNc1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426659 816768423 /nfs/dbraw/zinc/76/84/23/816768423.db2.gz NJNFLXJTNNEZAD-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001031380560 817015486 /nfs/dbraw/zinc/01/54/86/817015486.db2.gz KPYXXFPDSHUGSX-UHFFFAOYSA-N 1 2 290.367 0.718 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001031420942 817043752 /nfs/dbraw/zinc/04/37/52/817043752.db2.gz XEJQUYSLRVEPBD-HNNXBMFYSA-N 1 2 293.411 0.474 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001031473931 817071301 /nfs/dbraw/zinc/07/13/01/817071301.db2.gz QPQXCXYXVITETN-AWEZNQCLSA-N 1 2 297.358 0.936 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001077552308 817142407 /nfs/dbraw/zinc/14/24/07/817142407.db2.gz PPUSXBOKUUUEEA-ZIAGYGMSSA-N 1 2 275.352 0.225 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001077552308 817142412 /nfs/dbraw/zinc/14/24/12/817142412.db2.gz PPUSXBOKUUUEEA-ZIAGYGMSSA-N 1 2 275.352 0.225 20 30 CCEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272726743 817616081 /nfs/dbraw/zinc/61/60/81/817616081.db2.gz UJHYEOVZCXQYBO-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@]2(CC[N@H+](Cc3coc(C)n3)C2)OCC1=O ZINC001272726743 817616084 /nfs/dbraw/zinc/61/60/84/817616084.db2.gz UJHYEOVZCXQYBO-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124896273 817621668 /nfs/dbraw/zinc/62/16/68/817621668.db2.gz NVEBJTQCJHOXQY-WCBMZHEXSA-N 1 2 250.302 0.910 20 30 CCEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124896275 817622152 /nfs/dbraw/zinc/62/21/52/817622152.db2.gz NVEBJTQCJHOXQY-WPRPVWTQSA-N 1 2 250.302 0.910 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(C)C)nn2)C1 ZINC001107114694 817759587 /nfs/dbraw/zinc/75/95/87/817759587.db2.gz CZZUXZCYFZVLKD-UHFFFAOYSA-N 1 2 277.372 0.983 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C ZINC001032280459 817777943 /nfs/dbraw/zinc/77/79/43/817777943.db2.gz IUKDJYJXWHQYLG-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C ZINC001032280459 817777949 /nfs/dbraw/zinc/77/79/49/817777949.db2.gz IUKDJYJXWHQYLG-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001077584924 817784443 /nfs/dbraw/zinc/78/44/43/817784443.db2.gz KGIKAAOOYMWOIW-ZIAGYGMSSA-N 1 2 294.301 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001077584924 817784450 /nfs/dbraw/zinc/78/44/50/817784450.db2.gz KGIKAAOOYMWOIW-ZIAGYGMSSA-N 1 2 294.301 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1C ZINC001032328577 817882583 /nfs/dbraw/zinc/88/25/83/817882583.db2.gz VINMEEHNKWXOLM-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1C ZINC001032328577 817882594 /nfs/dbraw/zinc/88/25/94/817882594.db2.gz VINMEEHNKWXOLM-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805065 817892956 /nfs/dbraw/zinc/89/29/56/817892956.db2.gz ITWJVAPJUWFLDD-SFYZADRCSA-N 1 2 299.268 0.283 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127805065 817892960 /nfs/dbraw/zinc/89/29/60/817892960.db2.gz ITWJVAPJUWFLDD-SFYZADRCSA-N 1 2 299.268 0.283 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032333642 817893015 /nfs/dbraw/zinc/89/30/15/817893015.db2.gz UHSDHQACZPTIFB-AVGNSLFASA-N 1 2 299.802 0.355 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032333642 817893021 /nfs/dbraw/zinc/89/30/21/817893021.db2.gz UHSDHQACZPTIFB-AVGNSLFASA-N 1 2 299.802 0.355 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)cn1 ZINC001032352936 817964355 /nfs/dbraw/zinc/96/43/55/817964355.db2.gz IHUYNSIONGSYAP-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)cn1 ZINC001032352936 817964361 /nfs/dbraw/zinc/96/43/61/817964361.db2.gz IHUYNSIONGSYAP-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N ZINC001077677523 817981883 /nfs/dbraw/zinc/98/18/83/817981883.db2.gz QPCIQEBFQTZNCQ-ZJUUUORDSA-N 1 2 291.355 0.431 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cccn2)C1 ZINC001107750252 817982374 /nfs/dbraw/zinc/98/23/74/817982374.db2.gz MRIBLKQQSGILIO-HNNXBMFYSA-N 1 2 292.383 0.666 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cccn2)C1 ZINC001107750252 817982380 /nfs/dbraw/zinc/98/23/80/817982380.db2.gz MRIBLKQQSGILIO-HNNXBMFYSA-N 1 2 292.383 0.666 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC2CC2)C1 ZINC001107763881 817992269 /nfs/dbraw/zinc/99/22/69/817992269.db2.gz MSNMRRFOHYOPDH-OAHLLOKOSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COCC2CC2)C1 ZINC001107763881 817992273 /nfs/dbraw/zinc/99/22/73/817992273.db2.gz MSNMRRFOHYOPDH-OAHLLOKOSA-N 1 2 282.384 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107794848 818014158 /nfs/dbraw/zinc/01/41/58/818014158.db2.gz GQGYBLMHXGUYNC-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OC)C1 ZINC001107794848 818014165 /nfs/dbraw/zinc/01/41/65/818014165.db2.gz GQGYBLMHXGUYNC-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107797897 818014180 /nfs/dbraw/zinc/01/41/80/818014180.db2.gz ILGMOIZWHBTAKE-TZMCWYRMSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107797897 818014187 /nfs/dbraw/zinc/01/41/87/818014187.db2.gz ILGMOIZWHBTAKE-TZMCWYRMSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107806445 818018416 /nfs/dbraw/zinc/01/84/16/818018416.db2.gz FHQBRVYSHQKIJG-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOC2)C1 ZINC001107806445 818018426 /nfs/dbraw/zinc/01/84/26/818018426.db2.gz FHQBRVYSHQKIJG-GOEBONIOSA-N 1 2 294.395 0.643 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078734973 818037324 /nfs/dbraw/zinc/03/73/24/818037324.db2.gz WNSMORNQIXGLKG-NEPJUHHUSA-N 1 2 273.340 0.493 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001038091270 818271854 /nfs/dbraw/zinc/27/18/54/818271854.db2.gz IMTYJIXPHDJXKO-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001038091270 818271860 /nfs/dbraw/zinc/27/18/60/818271860.db2.gz IMTYJIXPHDJXKO-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001033087590 818505236 /nfs/dbraw/zinc/50/52/36/818505236.db2.gz XTDDZEYSWBCEDS-KGLIPLIRSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001033087590 818505243 /nfs/dbraw/zinc/50/52/43/818505243.db2.gz XTDDZEYSWBCEDS-KGLIPLIRSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033104740 818522665 /nfs/dbraw/zinc/52/26/65/818522665.db2.gz ZBCTVORRSZFADE-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033104740 818522670 /nfs/dbraw/zinc/52/26/70/818522670.db2.gz ZBCTVORRSZFADE-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033104740 818522674 /nfs/dbraw/zinc/52/26/74/818522674.db2.gz ZBCTVORRSZFADE-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033104740 818522678 /nfs/dbraw/zinc/52/26/78/818522678.db2.gz ZBCTVORRSZFADE-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083846338 818587258 /nfs/dbraw/zinc/58/72/58/818587258.db2.gz SYTMYOHGQBRJIC-NEPJUHHUSA-N 1 2 291.351 0.821 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(C3CC3)nc2C)[C@@H](O)C1 ZINC001083846338 818587265 /nfs/dbraw/zinc/58/72/65/818587265.db2.gz SYTMYOHGQBRJIC-NEPJUHHUSA-N 1 2 291.351 0.821 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001033323168 818709931 /nfs/dbraw/zinc/70/99/31/818709931.db2.gz DFNZXSYFCIBEIO-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001033323168 818709941 /nfs/dbraw/zinc/70/99/41/818709941.db2.gz DFNZXSYFCIBEIO-LLVKDONJSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128835036 819072993 /nfs/dbraw/zinc/07/29/93/819072993.db2.gz WNWWHZJTASGHJI-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128835036 819073001 /nfs/dbraw/zinc/07/30/01/819073001.db2.gz WNWWHZJTASGHJI-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2cnns2)C1 ZINC001034121199 819082013 /nfs/dbraw/zinc/08/20/13/819082013.db2.gz MTUQRFAMHKKSRZ-JTQLQIEISA-N 1 2 264.354 0.756 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnns2)C1 ZINC001034121199 819082017 /nfs/dbraw/zinc/08/20/17/819082017.db2.gz MTUQRFAMHKKSRZ-JTQLQIEISA-N 1 2 264.354 0.756 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001083860865 819164225 /nfs/dbraw/zinc/16/42/25/819164225.db2.gz KVIFKFOLAUMASR-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001083860865 819164230 /nfs/dbraw/zinc/16/42/30/819164230.db2.gz KVIFKFOLAUMASR-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001034448773 819203677 /nfs/dbraw/zinc/20/36/77/819203677.db2.gz UGUTWLDPFKKPGV-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001034448773 819203679 /nfs/dbraw/zinc/20/36/79/819203679.db2.gz UGUTWLDPFKKPGV-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001034448773 819203682 /nfs/dbraw/zinc/20/36/82/819203682.db2.gz UGUTWLDPFKKPGV-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001034448773 819203684 /nfs/dbraw/zinc/20/36/84/819203684.db2.gz UGUTWLDPFKKPGV-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108143946 819297595 /nfs/dbraw/zinc/29/75/95/819297595.db2.gz IBMYNPFCPMEABR-ORIJERBGSA-N 1 2 292.379 0.109 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108143946 819297602 /nfs/dbraw/zinc/29/76/02/819297602.db2.gz IBMYNPFCPMEABR-ORIJERBGSA-N 1 2 292.379 0.109 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035297070 819441416 /nfs/dbraw/zinc/44/14/16/819441416.db2.gz USPUUXMXCWHGSP-LBPRGKRZSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001035297070 819441420 /nfs/dbraw/zinc/44/14/20/819441420.db2.gz USPUUXMXCWHGSP-LBPRGKRZSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035326142 819472151 /nfs/dbraw/zinc/47/21/51/819472151.db2.gz BEKQSLIPWLRBEX-ZDUSSCGKSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035326142 819472157 /nfs/dbraw/zinc/47/21/57/819472157.db2.gz BEKQSLIPWLRBEX-ZDUSSCGKSA-N 1 2 263.341 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035343710 819481963 /nfs/dbraw/zinc/48/19/63/819481963.db2.gz PHSUJWOQVKNQJL-GFCCVEGCSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001035343710 819481969 /nfs/dbraw/zinc/48/19/69/819481969.db2.gz PHSUJWOQVKNQJL-GFCCVEGCSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035356566 819496571 /nfs/dbraw/zinc/49/65/71/819496571.db2.gz VYNLSFWILNKTTB-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035356566 819496577 /nfs/dbraw/zinc/49/65/77/819496577.db2.gz VYNLSFWILNKTTB-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035358723 819498622 /nfs/dbraw/zinc/49/86/22/819498622.db2.gz OGGPLHYSXTWWOV-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035358723 819498624 /nfs/dbraw/zinc/49/86/24/819498624.db2.gz OGGPLHYSXTWWOV-NSHDSACASA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035358722 819499350 /nfs/dbraw/zinc/49/93/50/819499350.db2.gz OGGPLHYSXTWWOV-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035358722 819499354 /nfs/dbraw/zinc/49/93/54/819499354.db2.gz OGGPLHYSXTWWOV-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001035404966 819513964 /nfs/dbraw/zinc/51/39/64/819513964.db2.gz UHOOPPPBGQHILY-LBPRGKRZSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001035404966 819513966 /nfs/dbraw/zinc/51/39/66/819513966.db2.gz UHOOPPPBGQHILY-LBPRGKRZSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035416713 819520840 /nfs/dbraw/zinc/52/08/40/819520840.db2.gz MVDXLQUAODYWJV-LSDHHAIUSA-N 1 2 295.427 0.864 20 30 CCEDLO C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035416713 819520843 /nfs/dbraw/zinc/52/08/43/819520843.db2.gz MVDXLQUAODYWJV-LSDHHAIUSA-N 1 2 295.427 0.864 20 30 CCEDLO C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035416711 819520914 /nfs/dbraw/zinc/52/09/14/819520914.db2.gz MVDXLQUAODYWJV-GJZGRUSLSA-N 1 2 295.427 0.864 20 30 CCEDLO C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035416711 819520917 /nfs/dbraw/zinc/52/09/17/819520917.db2.gz MVDXLQUAODYWJV-GJZGRUSLSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001035464357 819536155 /nfs/dbraw/zinc/53/61/55/819536155.db2.gz VOPDDMRJMCWFBD-LLVKDONJSA-N 1 2 279.344 0.120 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001035464357 819536165 /nfs/dbraw/zinc/53/61/65/819536165.db2.gz VOPDDMRJMCWFBD-LLVKDONJSA-N 1 2 279.344 0.120 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001035532994 819556552 /nfs/dbraw/zinc/55/65/52/819556552.db2.gz MAQJGZDWYZKQDI-LBPRGKRZSA-N 1 2 262.313 0.093 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001035532994 819556556 /nfs/dbraw/zinc/55/65/56/819556556.db2.gz MAQJGZDWYZKQDI-LBPRGKRZSA-N 1 2 262.313 0.093 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035559551 819570263 /nfs/dbraw/zinc/57/02/63/819570263.db2.gz LXRKPTPXVAAXDH-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035559551 819570269 /nfs/dbraw/zinc/57/02/69/819570269.db2.gz LXRKPTPXVAAXDH-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001036277398 819718612 /nfs/dbraw/zinc/71/86/12/819718612.db2.gz WZULLFRPWISWTB-GXTWGEPZSA-N 1 2 289.383 0.703 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001108184780 820097263 /nfs/dbraw/zinc/09/72/63/820097263.db2.gz XSAQJFSXDNMWLC-AWEZNQCLSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001108184780 820097273 /nfs/dbraw/zinc/09/72/73/820097273.db2.gz XSAQJFSXDNMWLC-AWEZNQCLSA-N 1 2 294.355 0.132 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090361495 820299874 /nfs/dbraw/zinc/29/98/74/820299874.db2.gz PQTGXFWAXASZBX-OCCSQVGLSA-N 1 2 299.334 0.251 20 30 CCEDLO CC(=O)N1CC[NH+]([C@H]2CCN(c3ncccc3C#N)C2)CC1 ZINC001065185305 820306941 /nfs/dbraw/zinc/30/69/41/820306941.db2.gz WUZFYQUNKBGDFA-HNNXBMFYSA-N 1 2 299.378 0.696 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 ZINC001081432883 820765605 /nfs/dbraw/zinc/76/56/05/820765605.db2.gz PLHMJVFMEBLNBR-ZYHUDNBSSA-N 1 2 279.365 0.595 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 ZINC001081432883 820765609 /nfs/dbraw/zinc/76/56/09/820765609.db2.gz PLHMJVFMEBLNBR-ZYHUDNBSSA-N 1 2 279.365 0.595 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](OC)C1 ZINC001081641847 820803925 /nfs/dbraw/zinc/80/39/25/820803925.db2.gz WQGUAOQEXWGYPB-VXGBXAGGSA-N 1 2 293.371 0.047 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](OC)C1 ZINC001081641847 820803929 /nfs/dbraw/zinc/80/39/29/820803929.db2.gz WQGUAOQEXWGYPB-VXGBXAGGSA-N 1 2 293.371 0.047 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001081834198 820840830 /nfs/dbraw/zinc/84/08/30/820840830.db2.gz ZAZHIGGIGKPPGM-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001081834198 820840840 /nfs/dbraw/zinc/84/08/40/820840840.db2.gz ZAZHIGGIGKPPGM-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@H](OC)C1 ZINC001081922266 820863174 /nfs/dbraw/zinc/86/31/74/820863174.db2.gz WYIAIKTYUHAFTQ-TZMCWYRMSA-N 1 2 292.335 0.488 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@H](OC)C1 ZINC001081922266 820863178 /nfs/dbraw/zinc/86/31/78/820863178.db2.gz WYIAIKTYUHAFTQ-TZMCWYRMSA-N 1 2 292.335 0.488 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@H](OC)C1 ZINC001081949451 820868212 /nfs/dbraw/zinc/86/82/12/820868212.db2.gz QADMIWPWLYZFNF-CHWSQXEVSA-N 1 2 278.356 0.193 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@H](OC)C1 ZINC001081949451 820868222 /nfs/dbraw/zinc/86/82/22/820868222.db2.gz QADMIWPWLYZFNF-CHWSQXEVSA-N 1 2 278.356 0.193 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@H](OC)C1 ZINC001082245128 820922108 /nfs/dbraw/zinc/92/21/08/820922108.db2.gz ZSBOOUQIUFTSAE-UKRRQHHQSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@H](OC)C1 ZINC001082245128 820922115 /nfs/dbraw/zinc/92/21/15/820922115.db2.gz ZSBOOUQIUFTSAE-UKRRQHHQSA-N 1 2 298.346 0.397 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](OC)C1 ZINC001082295353 820930676 /nfs/dbraw/zinc/93/06/76/820930676.db2.gz ORPOQCYNMUJXDD-TZMCWYRMSA-N 1 2 291.351 0.298 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](OC)C1 ZINC001082295353 820930685 /nfs/dbraw/zinc/93/06/85/820930685.db2.gz ORPOQCYNMUJXDD-TZMCWYRMSA-N 1 2 291.351 0.298 20 30 CCEDLO Cc1cc(N2CC[NH2+]CC(F)(F)C2)nc(C#N)n1 ZINC001164493245 820940109 /nfs/dbraw/zinc/94/01/09/820940109.db2.gz RDSRVVSCTTZJMO-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n1 ZINC001082450679 820972982 /nfs/dbraw/zinc/97/29/82/820972982.db2.gz DLDABHGYYJWUFN-IQJOONFLSA-N 1 2 277.328 0.474 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)(F)F)[C@H]2C1 ZINC001082976794 821087835 /nfs/dbraw/zinc/08/78/35/821087835.db2.gz CGHJKIVIFUMARE-VHSXEESVSA-N 1 2 260.284 0.739 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)(F)F)[C@H]2C1 ZINC001082976794 821087845 /nfs/dbraw/zinc/08/78/45/821087845.db2.gz CGHJKIVIFUMARE-VHSXEESVSA-N 1 2 260.284 0.739 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3)[C@H]2C1 ZINC001083002328 821100330 /nfs/dbraw/zinc/10/03/30/821100330.db2.gz CUEKHIHUCUYILM-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3)[C@H]2C1 ZINC001083002328 821100337 /nfs/dbraw/zinc/10/03/37/821100337.db2.gz CUEKHIHUCUYILM-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn3C)[C@H]2C1 ZINC001083003320 821100658 /nfs/dbraw/zinc/10/06/58/821100658.db2.gz YCDDNQYXMYXDRC-UONOGXRCSA-N 1 2 273.336 0.184 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn3C)[C@H]2C1 ZINC001083003320 821100660 /nfs/dbraw/zinc/10/06/60/821100660.db2.gz YCDDNQYXMYXDRC-UONOGXRCSA-N 1 2 273.336 0.184 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC(C)(C)C3)[C@H]2C1 ZINC001083069817 821118513 /nfs/dbraw/zinc/11/85/13/821118513.db2.gz SYRUOCGRYMYYTG-UONOGXRCSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(C)(C)C3)[C@H]2C1 ZINC001083069817 821118517 /nfs/dbraw/zinc/11/85/17/821118517.db2.gz SYRUOCGRYMYYTG-UONOGXRCSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCOC3)[C@H]2C1 ZINC001083044113 821125275 /nfs/dbraw/zinc/12/52/75/821125275.db2.gz XUAZPINQTCKZBW-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCOC3)[C@H]2C1 ZINC001083044113 821125280 /nfs/dbraw/zinc/12/52/80/821125280.db2.gz XUAZPINQTCKZBW-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCC3)[C@H]2C1 ZINC001083126421 821143304 /nfs/dbraw/zinc/14/33/04/821143304.db2.gz OQQJEGOPSSXGPO-QWHCGFSZSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCC3)[C@H]2C1 ZINC001083126421 821143309 /nfs/dbraw/zinc/14/33/09/821143309.db2.gz OQQJEGOPSSXGPO-QWHCGFSZSA-N 1 2 280.343 0.814 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]nnc3C)[C@H]2C1 ZINC001083159825 821150713 /nfs/dbraw/zinc/15/07/13/821150713.db2.gz VVPVLHYBXXGBRG-NWDGAFQWSA-N 1 2 291.355 0.214 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]nnc3C)[C@H]2C1 ZINC001083159825 821150717 /nfs/dbraw/zinc/15/07/17/821150717.db2.gz VVPVLHYBXXGBRG-NWDGAFQWSA-N 1 2 291.355 0.214 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2)[C@@H](O)C1 ZINC001083971560 821176984 /nfs/dbraw/zinc/17/69/84/821176984.db2.gz NJUCZOFVUHDIQJ-YUELXQCFSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2)[C@@H](O)C1 ZINC001083971560 821176990 /nfs/dbraw/zinc/17/69/90/821176990.db2.gz NJUCZOFVUHDIQJ-YUELXQCFSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084025126 821178462 /nfs/dbraw/zinc/17/84/62/821178462.db2.gz CSTNKXXHMSGQPI-OLZOCXBDSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084025126 821178468 /nfs/dbraw/zinc/17/84/68/821178468.db2.gz CSTNKXXHMSGQPI-OLZOCXBDSA-N 1 2 284.315 0.841 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624814 821330237 /nfs/dbraw/zinc/33/02/37/821330237.db2.gz AQOLTPDUZADDMQ-GHMZBOCLSA-N 1 2 297.786 0.537 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084624814 821330246 /nfs/dbraw/zinc/33/02/46/821330246.db2.gz AQOLTPDUZADDMQ-GHMZBOCLSA-N 1 2 297.786 0.537 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084712347 821358459 /nfs/dbraw/zinc/35/84/59/821358459.db2.gz CMJUCEOHWAIOGV-OUCADQQQSA-N 1 2 287.367 0.645 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084712347 821358467 /nfs/dbraw/zinc/35/84/67/821358467.db2.gz CMJUCEOHWAIOGV-OUCADQQQSA-N 1 2 287.367 0.645 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000820344458 821439591 /nfs/dbraw/zinc/43/95/91/821439591.db2.gz LLBONALWBMYLQX-FPMFFAJLSA-N 1 2 273.336 0.743 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c[nH]1 ZINC000826756118 821670516 /nfs/dbraw/zinc/67/05/16/821670516.db2.gz XKJCIXKQTIJMHI-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c[nH]1 ZINC000826756118 821670517 /nfs/dbraw/zinc/67/05/17/821670517.db2.gz XKJCIXKQTIJMHI-UHFFFAOYSA-N 1 2 290.323 0.065 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556516 821788088 /nfs/dbraw/zinc/78/80/88/821788088.db2.gz SJKFZQVZVFYXSW-JTQLQIEISA-N 1 2 263.297 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556516 821788095 /nfs/dbraw/zinc/78/80/95/821788095.db2.gz SJKFZQVZVFYXSW-JTQLQIEISA-N 1 2 263.297 0.463 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085680879 821892921 /nfs/dbraw/zinc/89/29/21/821892921.db2.gz ONEJJFVEFDMIAR-GXTWGEPZSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680388 821894641 /nfs/dbraw/zinc/89/46/41/821894641.db2.gz FKEGADNTHBHSHW-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2nccn2c1 ZINC001085723917 821921634 /nfs/dbraw/zinc/92/16/34/821921634.db2.gz IIVAFJFKPLXYTM-CYBMUJFWSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2nccn2c1 ZINC001085723917 821921641 /nfs/dbraw/zinc/92/16/41/821921641.db2.gz IIVAFJFKPLXYTM-CYBMUJFWSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001085723951 821922250 /nfs/dbraw/zinc/92/22/50/821922250.db2.gz JCCQAPGZFTZSMT-LLVKDONJSA-N 1 2 292.335 0.981 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001085723951 821922254 /nfs/dbraw/zinc/92/22/54/821922254.db2.gz JCCQAPGZFTZSMT-LLVKDONJSA-N 1 2 292.335 0.981 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001085848949 821977865 /nfs/dbraw/zinc/97/78/65/821977865.db2.gz KNFSYLFTMQTUBK-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001085848949 821977871 /nfs/dbraw/zinc/97/78/71/821977871.db2.gz KNFSYLFTMQTUBK-ZDUSSCGKSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC=C)nn1 ZINC001085862965 821984737 /nfs/dbraw/zinc/98/47/37/821984737.db2.gz NEDLARCYOZDLBE-ZDUSSCGKSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC=C)nn1 ZINC001085862965 821984746 /nfs/dbraw/zinc/98/47/46/821984746.db2.gz NEDLARCYOZDLBE-ZDUSSCGKSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#C)cn1 ZINC001085929633 822020790 /nfs/dbraw/zinc/02/07/90/822020790.db2.gz BIZYOFWQHHEOJD-CQSZACIVSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#C)cn1 ZINC001085929633 822020798 /nfs/dbraw/zinc/02/07/98/822020798.db2.gz BIZYOFWQHHEOJD-CQSZACIVSA-N 1 2 267.332 0.842 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001108231498 822062680 /nfs/dbraw/zinc/06/26/80/822062680.db2.gz VUXPYYJMTHXREP-HGTKMLMNSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001108231498 822062691 /nfs/dbraw/zinc/06/26/91/822062691.db2.gz VUXPYYJMTHXREP-HGTKMLMNSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090405665 822136350 /nfs/dbraw/zinc/13/63/50/822136350.db2.gz YQJJYLADNHAMOW-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090405665 822136354 /nfs/dbraw/zinc/13/63/54/822136354.db2.gz YQJJYLADNHAMOW-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108270389 822236430 /nfs/dbraw/zinc/23/64/30/822236430.db2.gz IPKHHPUXWMBPTQ-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108270389 822236435 /nfs/dbraw/zinc/23/64/35/822236435.db2.gz IPKHHPUXWMBPTQ-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276678 822256514 /nfs/dbraw/zinc/25/65/14/822256514.db2.gz RMJVLJRADYUPHL-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276678 822256519 /nfs/dbraw/zinc/25/65/19/822256519.db2.gz RMJVLJRADYUPHL-DOMZBBRYSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001108279222 822272519 /nfs/dbraw/zinc/27/25/19/822272519.db2.gz AXSFYLXENZCOFH-OAHLLOKOSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001108279222 822272527 /nfs/dbraw/zinc/27/25/27/822272527.db2.gz AXSFYLXENZCOFH-OAHLLOKOSA-N 1 2 297.399 0.294 20 30 CCEDLO CCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)nn1 ZINC001114067749 837422053 /nfs/dbraw/zinc/42/20/53/837422053.db2.gz WIJAMCDCDYDQMV-FTYKPCCVSA-N 1 2 288.355 0.004 20 30 CCEDLO CCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)nn1 ZINC001114067749 837422058 /nfs/dbraw/zinc/42/20/58/837422058.db2.gz WIJAMCDCDYDQMV-FTYKPCCVSA-N 1 2 288.355 0.004 20 30 CCEDLO C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337687 835975213 /nfs/dbraw/zinc/97/52/13/835975213.db2.gz JTYRPKSUQWBWCA-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)cc(Cl)n2)C[NH2+]1 ZINC001156240398 836094320 /nfs/dbraw/zinc/09/43/20/836094320.db2.gz ORKKDMPQALTXOK-IUCAKERBSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)c1cc(C)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320059 836280285 /nfs/dbraw/zinc/28/02/85/836280285.db2.gz OLTRYOLYOUZGBU-JTQLQIEISA-N 1 2 260.297 0.478 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)nc2[nH]cnc21 ZINC001156320070 836281256 /nfs/dbraw/zinc/28/12/56/836281256.db2.gz PCXJKCACRVZZCW-ZETCQYMHSA-N 1 2 262.704 0.913 20 30 CCEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108941935 836581455 /nfs/dbraw/zinc/58/14/55/836581455.db2.gz WAJJETZDNRGKMM-AGIUHOORSA-N 1 2 292.383 0.538 20 30 CCEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108941935 836581461 /nfs/dbraw/zinc/58/14/61/836581461.db2.gz WAJJETZDNRGKMM-AGIUHOORSA-N 1 2 292.383 0.538 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109078189 836612618 /nfs/dbraw/zinc/61/26/18/836612618.db2.gz GLEAUEURSAMQQF-NDBYEHHHSA-N 1 2 290.367 0.100 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109078189 836612622 /nfs/dbraw/zinc/61/26/22/836612622.db2.gz GLEAUEURSAMQQF-NDBYEHHHSA-N 1 2 290.367 0.100 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246139 836646030 /nfs/dbraw/zinc/64/60/30/836646030.db2.gz PTXDGXRKAYCNNL-RDBSUJKOSA-N 1 2 291.395 0.503 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246139 836646034 /nfs/dbraw/zinc/64/60/34/836646034.db2.gz PTXDGXRKAYCNNL-RDBSUJKOSA-N 1 2 291.395 0.503 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109632821 836709155 /nfs/dbraw/zinc/70/91/55/836709155.db2.gz DVRBEYPBCJBTSY-RNJOBUHISA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109632821 836709165 /nfs/dbraw/zinc/70/91/65/836709165.db2.gz DVRBEYPBCJBTSY-RNJOBUHISA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001112624206 836829101 /nfs/dbraw/zinc/82/91/01/836829101.db2.gz SGLRNVCNMYESHH-AWEZNQCLSA-N 1 2 292.383 0.791 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001112687634 836864269 /nfs/dbraw/zinc/86/42/69/836864269.db2.gz KRBNJWGKLQFYHV-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc(C)n2)CC1 ZINC001112783942 836912265 /nfs/dbraw/zinc/91/22/65/836912265.db2.gz JAUCTAHIIVQGEJ-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1cncc(C#N)n1 ZINC001113155403 837041355 /nfs/dbraw/zinc/04/13/55/837041355.db2.gz ORHDTDYCBFKMFP-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113313513 837084403 /nfs/dbraw/zinc/08/44/03/837084403.db2.gz IYJBHVVBKIOFSG-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@@H](Nc1nccnc1C#N)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113313965 837085454 /nfs/dbraw/zinc/08/54/54/837085454.db2.gz OUIBLOGDEIWSSQ-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC001113478244 837128680 /nfs/dbraw/zinc/12/86/80/837128680.db2.gz ZQFWBOPSQGRWIL-UHFFFAOYSA-N 1 2 293.289 0.385 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC001113610142 837175043 /nfs/dbraw/zinc/17/50/43/837175043.db2.gz LAUVOVVGEQZXLS-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC001113669771 837192556 /nfs/dbraw/zinc/19/25/56/837192556.db2.gz AAXNTOKBAAMEBQ-UHFFFAOYSA-N 1 2 293.411 0.803 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113713452 837203939 /nfs/dbraw/zinc/20/39/39/837203939.db2.gz QMUQAFRXGBPKJA-AWEZNQCLSA-N 1 2 292.383 0.618 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1 ZINC001113735035 837210177 /nfs/dbraw/zinc/21/01/77/837210177.db2.gz FNRWRAFBVVWMCA-CYBMUJFWSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCCC[NH+]1CC2(C1)COCC(=O)N2[C@H](C)C(C)=O ZINC001273486741 844252781 /nfs/dbraw/zinc/25/27/81/844252781.db2.gz MPHLKHBULKGNCA-GFCCVEGCSA-N 1 2 280.368 0.843 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090466336 837287774 /nfs/dbraw/zinc/28/77/74/837287774.db2.gz JVSNZKYXMWHXMH-NXEZZACHSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 ZINC001090466336 837287779 /nfs/dbraw/zinc/28/77/79/837287779.db2.gz JVSNZKYXMWHXMH-NXEZZACHSA-N 1 2 285.731 0.592 20 30 CCEDLO Cc1ccc(N[C@@H](C#N)C(N)=O)c(C[NH+]2CCOCC2)c1 ZINC001170543241 838008608 /nfs/dbraw/zinc/00/86/08/838008608.db2.gz YEDSANBAMQBZCJ-AWEZNQCLSA-N 1 2 288.351 0.617 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)OC)CC1 ZINC001131342293 838055770 /nfs/dbraw/zinc/05/57/70/838055770.db2.gz RPRQENKZYROWRT-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)OC)CC1 ZINC001131342293 838055786 /nfs/dbraw/zinc/05/57/86/838055786.db2.gz RPRQENKZYROWRT-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CCCCC(=O)N1CCC(=O)NCC[N@@H+](CC=C)CC1 ZINC001131353957 838063629 /nfs/dbraw/zinc/06/36/29/838063629.db2.gz KDJDGRJGDDQJMG-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCCCC(=O)N1CCC(=O)NCC[N@H+](CC=C)CC1 ZINC001131353957 838063648 /nfs/dbraw/zinc/06/36/48/838063648.db2.gz KDJDGRJGDDQJMG-UHFFFAOYSA-N 1 2 291.395 0.626 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132403770 838387815 /nfs/dbraw/zinc/38/78/15/838387815.db2.gz DTFLXDDOXDTUBN-UHFFFAOYSA-N 1 2 254.359 0.956 20 30 CCEDLO C[C@H](C[C@@H](C)NC(=O)CCc1[nH+]ccn1C)NCC#N ZINC001135074341 839151302 /nfs/dbraw/zinc/15/13/02/839151302.db2.gz MCOCASDUZZQWQJ-VXGBXAGGSA-N 1 2 277.372 0.749 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(C)=O)C2)nn1 ZINC001185832337 844464292 /nfs/dbraw/zinc/46/42/92/844464292.db2.gz HPMOMFBWXUWKFT-CQSZACIVSA-N 1 2 275.356 0.574 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590236 839660999 /nfs/dbraw/zinc/66/09/99/839660999.db2.gz RQQZLZRYKRRUCA-VXGBXAGGSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590236 839661002 /nfs/dbraw/zinc/66/10/02/839661002.db2.gz RQQZLZRYKRRUCA-VXGBXAGGSA-N 1 2 296.758 0.394 20 30 CCEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1CNCC#N ZINC001185787646 844459373 /nfs/dbraw/zinc/45/93/73/844459373.db2.gz HLRVNLUYMODDLE-STQMWFEESA-N 1 2 275.356 0.481 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(C)=O)C2)nn1 ZINC001185857170 844469324 /nfs/dbraw/zinc/46/93/24/844469324.db2.gz ZVEWAWOVZLFSEF-ZDUSSCGKSA-N 1 2 261.329 0.184 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001143716044 839870550 /nfs/dbraw/zinc/87/05/50/839870550.db2.gz BILCHIOLRAYXMS-GWCFXTLKSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001143716044 839870560 /nfs/dbraw/zinc/87/05/60/839870560.db2.gz BILCHIOLRAYXMS-GWCFXTLKSA-N 1 2 266.728 0.997 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186035528 844488580 /nfs/dbraw/zinc/48/85/80/844488580.db2.gz KLWVRXSTQVRTHL-NSHDSACASA-N 1 2 260.297 0.267 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186035528 844488588 /nfs/dbraw/zinc/48/85/88/844488588.db2.gz KLWVRXSTQVRTHL-NSHDSACASA-N 1 2 260.297 0.267 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169757 839972097 /nfs/dbraw/zinc/97/20/97/839972097.db2.gz VDRMXFOHYDKRQP-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169757 839972103 /nfs/dbraw/zinc/97/21/03/839972103.db2.gz VDRMXFOHYDKRQP-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001144612895 840101728 /nfs/dbraw/zinc/10/17/28/840101728.db2.gz JLZGPBLRJJFVII-IHRRRGAJSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001144612895 840101729 /nfs/dbraw/zinc/10/17/29/840101729.db2.gz JLZGPBLRJJFVII-IHRRRGAJSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001147256582 840531346 /nfs/dbraw/zinc/53/13/46/840531346.db2.gz ZFCNVCYURLLTJH-UHFFFAOYSA-N 1 2 292.339 0.307 20 30 CCEDLO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001147256582 840531356 /nfs/dbraw/zinc/53/13/56/840531356.db2.gz ZFCNVCYURLLTJH-UHFFFAOYSA-N 1 2 292.339 0.307 20 30 CCEDLO N#CCNCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147600043 840630376 /nfs/dbraw/zinc/63/03/76/840630376.db2.gz NKXSMUXCIDCUDR-UHFFFAOYSA-N 1 2 270.296 0.110 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCOCC1 ZINC000044766596 840776459 /nfs/dbraw/zinc/77/64/59/840776459.db2.gz LBUPTDXSPPVXAD-LLVKDONJSA-N 1 2 262.313 0.708 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001171363061 840951885 /nfs/dbraw/zinc/95/18/85/840951885.db2.gz PUJBTDCDPPFCHY-KWQFWETISA-N 1 2 277.328 0.113 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001171363061 840951893 /nfs/dbraw/zinc/95/18/93/840951893.db2.gz PUJBTDCDPPFCHY-KWQFWETISA-N 1 2 277.328 0.113 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)nn1 ZINC001094188762 841563629 /nfs/dbraw/zinc/56/36/29/841563629.db2.gz MWFVMOTUAWYNAB-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)nn1 ZINC001094188762 841563638 /nfs/dbraw/zinc/56/36/38/841563638.db2.gz MWFVMOTUAWYNAB-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001094471771 841641119 /nfs/dbraw/zinc/64/11/19/841641119.db2.gz PBFVJNRRRKLZOL-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 ZINC001094689039 841702230 /nfs/dbraw/zinc/70/22/30/841702230.db2.gz JCCKFIHIHQQXBS-VIFPVBQESA-N 1 2 287.310 0.229 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC3(C)C)CC2=O)C1 ZINC001094726519 841714995 /nfs/dbraw/zinc/71/49/95/841714995.db2.gz RGSTVDMEMKYKGM-YPMHNXCESA-N 1 2 291.395 0.620 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001094808775 841729201 /nfs/dbraw/zinc/72/92/01/841729201.db2.gz RBNZOKYSAJOGOT-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876484 842436199 /nfs/dbraw/zinc/43/61/99/842436199.db2.gz NVKOERMDIZELMF-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876484 842436207 /nfs/dbraw/zinc/43/62/07/842436207.db2.gz NVKOERMDIZELMF-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001176949655 842465962 /nfs/dbraw/zinc/46/59/62/842465962.db2.gz QRZZYWZAUDPYNP-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001176949655 842465967 /nfs/dbraw/zinc/46/59/67/842465967.db2.gz QRZZYWZAUDPYNP-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962243 842471077 /nfs/dbraw/zinc/47/10/77/842471077.db2.gz GXYDEUFSIBHDBP-HUUCEWRRSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962243 842471083 /nfs/dbraw/zinc/47/10/83/842471083.db2.gz GXYDEUFSIBHDBP-HUUCEWRRSA-N 1 2 294.395 0.736 20 30 CCEDLO COCC[NH+]1CCN(C(=O)/C(=N\OC)c2ccco2)CC1 ZINC001177350360 842560341 /nfs/dbraw/zinc/56/03/41/842560341.db2.gz AJUXHKHGDJFZLD-SQFISAMPSA-N 1 2 295.339 0.421 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])NC([O-])=CCc2[nH]cc[nH+]2)cc1 ZINC001178000248 842723601 /nfs/dbraw/zinc/72/36/01/842723601.db2.gz FSXCRYBFUPSSRR-UHFFFAOYSA-N 1 2 285.307 0.373 20 30 CCEDLO N#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC001178122618 842778180 /nfs/dbraw/zinc/77/81/80/842778180.db2.gz YMACRGOKHVCBJK-NSHDSACASA-N 1 2 274.324 0.634 20 30 CCEDLO CN1CC2(C[NH+](CCc3ccc(C#N)cc3)C2)OCC1=O ZINC001273462409 842921532 /nfs/dbraw/zinc/92/15/32/842921532.db2.gz KEWKDIXXSZVHMK-UHFFFAOYSA-N 1 2 285.347 0.644 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(O)c(C#N)c2)C1 ZINC001180761348 843272412 /nfs/dbraw/zinc/27/24/12/843272412.db2.gz LYZUMUBYTUOOSD-LBPRGKRZSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(O)c(C#N)c2)C1 ZINC001180761348 843272419 /nfs/dbraw/zinc/27/24/19/843272419.db2.gz LYZUMUBYTUOOSD-LBPRGKRZSA-N 1 2 261.281 0.533 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)C2CC2)CC1 ZINC001180850195 843318783 /nfs/dbraw/zinc/31/87/83/843318783.db2.gz PAVINPXQLJCICF-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001181106500 843401783 /nfs/dbraw/zinc/40/17/83/843401783.db2.gz HBPFFWBCGZEWLE-SECBINFHSA-N 1 2 297.409 0.485 20 30 CCEDLO C#CCN1CC2(C[NH+](CC(C)(C)OCC)C2)OCC1=O ZINC001273472624 843610179 /nfs/dbraw/zinc/61/01/79/843610179.db2.gz HUMBFYULAVWAQN-UHFFFAOYSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC001183139135 843967383 /nfs/dbraw/zinc/96/73/83/843967383.db2.gz AJOBWIADSGFGAI-LBPRGKRZSA-N 1 2 283.397 0.238 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2COC(C(C)C)OC2)CC1 ZINC001183177078 843972787 /nfs/dbraw/zinc/97/27/87/843972787.db2.gz ZAJJJMIQSSXUBY-UHFFFAOYSA-N 1 2 282.384 0.962 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)CCCC)CC1 ZINC001183267109 843996667 /nfs/dbraw/zinc/99/66/67/843996667.db2.gz ITVNIBHCOILLLC-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191481533 845657436 /nfs/dbraw/zinc/65/74/36/845657436.db2.gz BCLLPYFQAQWIAM-PISUUVGWSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191481533 845657439 /nfs/dbraw/zinc/65/74/39/845657439.db2.gz BCLLPYFQAQWIAM-PISUUVGWSA-N 1 2 280.368 0.154 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001191725012 845717262 /nfs/dbraw/zinc/71/72/62/845717262.db2.gz ZKZOAQMBOGUVHH-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001191725012 845717276 /nfs/dbraw/zinc/71/72/76/845717276.db2.gz ZKZOAQMBOGUVHH-ZIAGYGMSSA-N 1 2 290.367 0.413 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001192971378 845956793 /nfs/dbraw/zinc/95/67/93/845956793.db2.gz KQNJQDZBSJFHHU-UHFFFAOYSA-N 1 2 267.292 0.848 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCCCC2)C1 ZINC001194334565 846279967 /nfs/dbraw/zinc/27/99/67/846279967.db2.gz DRMXURCJROPOSV-ZIAGYGMSSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCCCC2)C1 ZINC001194334565 846279976 /nfs/dbraw/zinc/27/99/76/846279976.db2.gz DRMXURCJROPOSV-ZIAGYGMSSA-N 1 2 280.368 0.130 20 30 CCEDLO CC(C)=CC(=O)N1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001194739355 846364630 /nfs/dbraw/zinc/36/46/30/846364630.db2.gz OKUHTPLIMPASAA-UHFFFAOYSA-N 1 2 278.356 0.127 20 30 CCEDLO CC(C)=CC(=O)N1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001194739355 846364642 /nfs/dbraw/zinc/36/46/42/846364642.db2.gz OKUHTPLIMPASAA-UHFFFAOYSA-N 1 2 278.356 0.127 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195226020 846482978 /nfs/dbraw/zinc/48/29/78/846482978.db2.gz LSFQZWBONNPXQJ-NSHDSACASA-N 1 2 253.346 0.361 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195226020 846482985 /nfs/dbraw/zinc/48/29/85/846482985.db2.gz LSFQZWBONNPXQJ-NSHDSACASA-N 1 2 253.346 0.361 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001195287784 846495597 /nfs/dbraw/zinc/49/55/97/846495597.db2.gz TXODDUCYPFXVCJ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001195287784 846495600 /nfs/dbraw/zinc/49/56/00/846495600.db2.gz TXODDUCYPFXVCJ-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(C#N)s1 ZINC001273699345 846533444 /nfs/dbraw/zinc/53/34/44/846533444.db2.gz XPIOWEOZUCPKLM-AOOOYVTPSA-N 1 2 277.349 0.775 20 30 CCEDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(C#N)s1 ZINC001273699345 846533446 /nfs/dbraw/zinc/53/34/46/846533446.db2.gz XPIOWEOZUCPKLM-AOOOYVTPSA-N 1 2 277.349 0.775 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001195491809 846551401 /nfs/dbraw/zinc/55/14/01/846551401.db2.gz DSADUMQGPFPJNT-UTUOFQBUSA-N 1 2 256.321 0.165 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001195491809 846551409 /nfs/dbraw/zinc/55/14/09/846551409.db2.gz DSADUMQGPFPJNT-UTUOFQBUSA-N 1 2 256.321 0.165 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC=C)CC2)C1 ZINC001195896820 846639872 /nfs/dbraw/zinc/63/98/72/846639872.db2.gz AKSMDYVYSMITCY-CHWSQXEVSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC=C)CC2)C1 ZINC001195896820 846639876 /nfs/dbraw/zinc/63/98/76/846639876.db2.gz AKSMDYVYSMITCY-CHWSQXEVSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001196260590 846713973 /nfs/dbraw/zinc/71/39/73/846713973.db2.gz SRQTUKBRNCHIEG-IVZWLZJFSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001196260590 846713981 /nfs/dbraw/zinc/71/39/81/846713981.db2.gz SRQTUKBRNCHIEG-IVZWLZJFSA-N 1 2 260.284 0.072 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)C)C1 ZINC001196363931 846745450 /nfs/dbraw/zinc/74/54/50/846745450.db2.gz GUCYFZZXGOTTKX-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)C)C1 ZINC001196363931 846745454 /nfs/dbraw/zinc/74/54/54/846745454.db2.gz GUCYFZZXGOTTKX-HUUCEWRRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001197073916 846839692 /nfs/dbraw/zinc/83/96/92/846839692.db2.gz FFPHOXUYTAOAQL-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001197073916 846839697 /nfs/dbraw/zinc/83/96/97/846839697.db2.gz FFPHOXUYTAOAQL-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccn(C)n2)CC1 ZINC001198097755 847042205 /nfs/dbraw/zinc/04/22/05/847042205.db2.gz GKCGJOYBFHQRJK-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccn(C)n2)CC1 ZINC001198097755 847042208 /nfs/dbraw/zinc/04/22/08/847042208.db2.gz GKCGJOYBFHQRJK-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO Cc1cc(N(C(N)=[NH2+])C(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001199683836 847400658 /nfs/dbraw/zinc/40/06/58/847400658.db2.gz IGDLSRFYIKOIND-UHFFFAOYSA-N 1 2 257.257 0.458 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001273884780 847735157 /nfs/dbraw/zinc/73/51/57/847735157.db2.gz KPKGBBXTCQWBTG-LBPRGKRZSA-N 1 2 268.357 0.103 20 30 CCEDLO COC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001273931793 847862709 /nfs/dbraw/zinc/86/27/09/847862709.db2.gz UTBYRSHPRYYXJI-LBPRGKRZSA-N 1 2 293.367 0.681 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001153134602 847930911 /nfs/dbraw/zinc/93/09/11/847930911.db2.gz GOFZQIURZUUXBG-SECBINFHSA-N 1 2 270.358 0.335 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001274615359 848524880 /nfs/dbraw/zinc/52/48/80/848524880.db2.gz SSCKIPKBVINAKW-JSGCOSHPSA-N 1 2 282.384 0.635 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3c(F)cccc3C#N)C[C@@H](C1)O2 ZINC001275015806 848615844 /nfs/dbraw/zinc/61/58/44/848615844.db2.gz UCROQRAYLQOEQG-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3c(F)cccc3C#N)C[C@@H](C1)O2 ZINC001275015806 848615847 /nfs/dbraw/zinc/61/58/47/848615847.db2.gz UCROQRAYLQOEQG-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3ccc(C#N)cn3)C2)C1 ZINC001275032392 848617390 /nfs/dbraw/zinc/61/73/90/848617390.db2.gz OIOQBPIMOSDWKI-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@@H]1CNCC#N ZINC001275806684 848829856 /nfs/dbraw/zinc/82/98/56/848829856.db2.gz PCRIANUQMVZXKO-OCCSQVGLSA-N 1 2 289.383 0.751 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2nccn2CC)C1 ZINC001276043757 848907963 /nfs/dbraw/zinc/90/79/63/848907963.db2.gz HMPJQRADESMBFC-UHFFFAOYSA-N 1 2 290.367 0.093 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2cncs2)C1 ZINC001276057103 848912344 /nfs/dbraw/zinc/91/23/44/848912344.db2.gz RXKPYWSFONGGLI-UHFFFAOYSA-N 1 2 295.408 0.815 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nn1 ZINC001095746643 849133370 /nfs/dbraw/zinc/13/33/70/849133370.db2.gz VVTRAQNSJSYFIA-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)OC)C1 ZINC001276350097 849441616 /nfs/dbraw/zinc/44/16/16/849441616.db2.gz DNEYPWKWIFGFQK-WCQYABFASA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038678990 849569890 /nfs/dbraw/zinc/56/98/90/849569890.db2.gz JYYYQCOOHRZUOL-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038678990 849569896 /nfs/dbraw/zinc/56/98/96/849569896.db2.gz JYYYQCOOHRZUOL-SECBINFHSA-N 1 2 252.293 0.929 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000038419586 849583157 /nfs/dbraw/zinc/58/31/57/849583157.db2.gz SIDGJHXLYAQXEB-UHFFFAOYSA-N 1 2 273.336 0.264 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038637785 849765356 /nfs/dbraw/zinc/76/53/56/849765356.db2.gz DSUNRIOACXFQFP-RYUDHWBXSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038637785 849765360 /nfs/dbraw/zinc/76/53/60/849765360.db2.gz DSUNRIOACXFQFP-RYUDHWBXSA-N 1 2 289.383 0.991 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038155518 849801180 /nfs/dbraw/zinc/80/11/80/849801180.db2.gz XTLVHRNHTKJOAD-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001038334642 849854889 /nfs/dbraw/zinc/85/48/89/849854889.db2.gz BCSYDQPIUQBYDS-CYBMUJFWSA-N 1 2 297.362 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001038334642 849854898 /nfs/dbraw/zinc/85/48/98/849854898.db2.gz BCSYDQPIUQBYDS-CYBMUJFWSA-N 1 2 297.362 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ncccc12 ZINC001038344420 849857504 /nfs/dbraw/zinc/85/75/04/849857504.db2.gz HTSYQMVWJOYOIN-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ncccc12 ZINC001038344420 849857512 /nfs/dbraw/zinc/85/75/12/849857512.db2.gz HTSYQMVWJOYOIN-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001038346819 849859820 /nfs/dbraw/zinc/85/98/20/849859820.db2.gz BSSWYJJMHLRDSG-GFCCVEGCSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001038346819 849859825 /nfs/dbraw/zinc/85/98/25/849859825.db2.gz BSSWYJJMHLRDSG-GFCCVEGCSA-N 1 2 299.330 0.455 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001038352350 849860661 /nfs/dbraw/zinc/86/06/61/849860661.db2.gz MGTHWYZROAITOV-NSHDSACASA-N 1 2 284.323 0.180 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001038352350 849860674 /nfs/dbraw/zinc/86/06/74/849860674.db2.gz MGTHWYZROAITOV-NSHDSACASA-N 1 2 284.323 0.180 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001038346824 849860955 /nfs/dbraw/zinc/86/09/55/849860955.db2.gz BSSWYJJMHLRDSG-LBPRGKRZSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001038346824 849860958 /nfs/dbraw/zinc/86/09/58/849860958.db2.gz BSSWYJJMHLRDSG-LBPRGKRZSA-N 1 2 299.330 0.455 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(C)cc1=O ZINC001038370716 849866282 /nfs/dbraw/zinc/86/62/82/849866282.db2.gz FTGPENRDAGTWSV-GFCCVEGCSA-N 1 2 275.352 0.684 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(C)cc1=O ZINC001038370716 849866284 /nfs/dbraw/zinc/86/62/84/849866284.db2.gz FTGPENRDAGTWSV-GFCCVEGCSA-N 1 2 275.352 0.684 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038417101 849886510 /nfs/dbraw/zinc/88/65/10/849886510.db2.gz KDXCGZPZTRKVMT-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001038417101 849886516 /nfs/dbraw/zinc/88/65/16/849886516.db2.gz KDXCGZPZTRKVMT-KGLIPLIRSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038423777 849888468 /nfs/dbraw/zinc/88/84/68/849888468.db2.gz FORXEWWSPSEYEX-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038423777 849888474 /nfs/dbraw/zinc/88/84/74/849888474.db2.gz FORXEWWSPSEYEX-ZIAGYGMSSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038422860 849890326 /nfs/dbraw/zinc/89/03/26/849890326.db2.gz ATDQCMWVBHJIAQ-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038422860 849890331 /nfs/dbraw/zinc/89/03/31/849890331.db2.gz ATDQCMWVBHJIAQ-QWHCGFSZSA-N 1 2 272.352 0.269 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001038425610 849892250 /nfs/dbraw/zinc/89/22/50/849892250.db2.gz BIXKWXPKNNTENS-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CCN1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038441902 849899909 /nfs/dbraw/zinc/89/99/09/849899909.db2.gz LXVFYMDIIZLFDF-LLVKDONJSA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038443164 849901774 /nfs/dbraw/zinc/90/17/74/849901774.db2.gz GRCSXKMPFXMONZ-GFCCVEGCSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038443164 849901778 /nfs/dbraw/zinc/90/17/78/849901778.db2.gz GRCSXKMPFXMONZ-GFCCVEGCSA-N 1 2 259.309 0.528 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001038459988 849913785 /nfs/dbraw/zinc/91/37/85/849913785.db2.gz ZLKICXUJNPLJQL-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001038459988 849913794 /nfs/dbraw/zinc/91/37/94/849913794.db2.gz ZLKICXUJNPLJQL-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001038548167 849937269 /nfs/dbraw/zinc/93/72/69/849937269.db2.gz MBGZRRGUUZGIMD-GFCCVEGCSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001038548167 849937274 /nfs/dbraw/zinc/93/72/74/849937274.db2.gz MBGZRRGUUZGIMD-GFCCVEGCSA-N 1 2 299.334 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038558943 849943300 /nfs/dbraw/zinc/94/33/00/849943300.db2.gz BDLGPNZKCQVYLJ-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038558943 849943311 /nfs/dbraw/zinc/94/33/11/849943311.db2.gz BDLGPNZKCQVYLJ-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663027 849973302 /nfs/dbraw/zinc/97/33/02/849973302.db2.gz YAGDCIASJSMAPF-KBPBESRZSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663027 849973311 /nfs/dbraw/zinc/97/33/11/849973311.db2.gz YAGDCIASJSMAPF-KBPBESRZSA-N 1 2 291.395 0.812 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038854833 850050238 /nfs/dbraw/zinc/05/02/38/850050238.db2.gz ZBNHSCBTPOYNOH-GFCCVEGCSA-N 1 2 275.356 0.686 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001038854833 850050246 /nfs/dbraw/zinc/05/02/46/850050246.db2.gz ZBNHSCBTPOYNOH-GFCCVEGCSA-N 1 2 275.356 0.686 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038868482 850057298 /nfs/dbraw/zinc/05/72/98/850057298.db2.gz WYEKEZMURIYJPU-GFCCVEGCSA-N 1 2 273.340 0.125 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038868482 850057308 /nfs/dbraw/zinc/05/73/08/850057308.db2.gz WYEKEZMURIYJPU-GFCCVEGCSA-N 1 2 273.340 0.125 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038909546 850075942 /nfs/dbraw/zinc/07/59/42/850075942.db2.gz QGKYPZDNOCKUCT-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038909546 850075946 /nfs/dbraw/zinc/07/59/46/850075946.db2.gz QGKYPZDNOCKUCT-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001038942115 850096340 /nfs/dbraw/zinc/09/63/40/850096340.db2.gz RBVBPTLPTOQMNB-LLVKDONJSA-N 1 2 297.314 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001038976059 850108850 /nfs/dbraw/zinc/10/88/50/850108850.db2.gz MFPRKQPKYYOUPX-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001038976059 850108854 /nfs/dbraw/zinc/10/88/54/850108854.db2.gz MFPRKQPKYYOUPX-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079682 850148721 /nfs/dbraw/zinc/14/87/21/850148721.db2.gz HDWJZMMMWYOWQA-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001039079682 850148723 /nfs/dbraw/zinc/14/87/23/850148723.db2.gz HDWJZMMMWYOWQA-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001042532379 850684438 /nfs/dbraw/zinc/68/44/38/850684438.db2.gz XSOCTBOXXOVWLE-UHFFFAOYSA-N 1 2 262.357 0.681 20 30 CCEDLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628915 850717701 /nfs/dbraw/zinc/71/77/01/850717701.db2.gz PERCJKLLWBGPDX-VIFPVBQESA-N 1 2 262.313 0.023 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3ncccc23)C1 ZINC001042941013 850783916 /nfs/dbraw/zinc/78/39/16/850783916.db2.gz XURWGEYRJHQRIS-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c3c2CCC3)C1 ZINC001043203815 850833310 /nfs/dbraw/zinc/83/33/10/850833310.db2.gz VXXHHGJWHRMBPS-UHFFFAOYSA-N 1 2 272.352 0.678 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001043519455 850890955 /nfs/dbraw/zinc/89/09/55/850890955.db2.gz ZLXWHFOWTYRGGG-VXGBXAGGSA-N 1 2 265.357 0.217 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001043601620 850906694 /nfs/dbraw/zinc/90/66/94/850906694.db2.gz ZAKTZWOVMQGMRG-HNNXBMFYSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(C#C)c2)C1 ZINC001043821543 850941428 /nfs/dbraw/zinc/94/14/28/850941428.db2.gz MTEKVNVBNKXABC-UHFFFAOYSA-N 1 2 267.332 0.842 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc(=O)n2C)C1 ZINC001043821056 850941989 /nfs/dbraw/zinc/94/19/89/850941989.db2.gz ZOFJAVKYBLBBLP-UHFFFAOYSA-N 1 2 261.325 0.328 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001044058627 850995350 /nfs/dbraw/zinc/99/53/50/850995350.db2.gz AYRACLXXBOFARL-UHFFFAOYSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001044197065 851039408 /nfs/dbraw/zinc/03/94/08/851039408.db2.gz JSRKZQZHEWDYQH-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001044229374 851045729 /nfs/dbraw/zinc/04/57/29/851045729.db2.gz OGNPVZNCYSKZKZ-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001044231925 851046701 /nfs/dbraw/zinc/04/67/01/851046701.db2.gz DOYWOSCZHRLTGO-UHFFFAOYSA-N 1 2 286.375 0.999 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)Cn2ccnc2C)C1 ZINC001044300127 851070651 /nfs/dbraw/zinc/07/06/51/851070651.db2.gz ODNLWCHPKHBJBF-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC)C1 ZINC001095982932 851121203 /nfs/dbraw/zinc/12/12/03/851121203.db2.gz MZYPKYLFFWKCJA-AGIUHOORSA-N 1 2 291.395 0.810 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC)C1 ZINC001095982932 851121212 /nfs/dbraw/zinc/12/12/12/851121212.db2.gz MZYPKYLFFWKCJA-AGIUHOORSA-N 1 2 291.395 0.810 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(N)=O)C1 ZINC001095983197 851121480 /nfs/dbraw/zinc/12/14/80/851121480.db2.gz VEBBMRQOEPMOCI-RNJOBUHISA-N 1 2 291.395 0.938 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(N)=O)C1 ZINC001095983197 851121486 /nfs/dbraw/zinc/12/14/86/851121486.db2.gz VEBBMRQOEPMOCI-RNJOBUHISA-N 1 2 291.395 0.938 20 30 CCEDLO CS[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046009166 851348032 /nfs/dbraw/zinc/34/80/32/851348032.db2.gz NUPPMLQWGHWZRP-QWHCGFSZSA-N 1 2 296.440 0.480 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046065462 851360483 /nfs/dbraw/zinc/36/04/83/851360483.db2.gz PTTKUHWKSDTXGW-QLFBSQMISA-N 1 2 290.411 0.775 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#N)C2 ZINC001047179459 851678850 /nfs/dbraw/zinc/67/88/50/851678850.db2.gz YATBKBNXDQPHHK-AVGNSLFASA-N 1 2 287.367 0.455 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001047374978 851742591 /nfs/dbraw/zinc/74/25/91/851742591.db2.gz VXTMERWYHNHGDU-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001047374978 851742582 /nfs/dbraw/zinc/74/25/82/851742582.db2.gz VXTMERWYHNHGDU-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCC)C1 ZINC001047396970 851750356 /nfs/dbraw/zinc/75/03/56/851750356.db2.gz HQBIPSVZVCUYKL-KBPBESRZSA-N 1 2 290.367 0.043 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCC)C1 ZINC001047396970 851750365 /nfs/dbraw/zinc/75/03/65/851750365.db2.gz HQBIPSVZVCUYKL-KBPBESRZSA-N 1 2 290.367 0.043 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C)C1 ZINC001047511751 851797137 /nfs/dbraw/zinc/79/71/37/851797137.db2.gz QOSJQWRSGZMFAT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C)C1 ZINC001047511751 851797139 /nfs/dbraw/zinc/79/71/39/851797139.db2.gz QOSJQWRSGZMFAT-STQMWFEESA-N 1 2 277.324 0.123 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC001096260595 851872507 /nfs/dbraw/zinc/87/25/07/851872507.db2.gz HSCXIAMTKBUYRG-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)C[C@@H]2C1 ZINC001048724808 852033663 /nfs/dbraw/zinc/03/36/63/852033663.db2.gz HKDMBYWKGQECOP-GARJFASQSA-N 1 2 291.380 0.588 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)C[C@@H]2C1 ZINC001048724808 852033657 /nfs/dbraw/zinc/03/36/57/852033657.db2.gz HKDMBYWKGQECOP-GARJFASQSA-N 1 2 291.380 0.588 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751436 852365886 /nfs/dbraw/zinc/36/58/86/852365886.db2.gz VTFRQQTXHVXKMD-STQMWFEESA-N 1 2 273.340 0.541 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097217380 852514070 /nfs/dbraw/zinc/51/40/70/852514070.db2.gz BHWYLWDHRKSJDF-WCFLWFBJSA-N 1 2 288.351 0.882 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001097470514 852539176 /nfs/dbraw/zinc/53/91/76/852539176.db2.gz BZWPKGXLNKQIMD-LPWJVIDDSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001097470514 852539179 /nfs/dbraw/zinc/53/91/79/852539179.db2.gz BZWPKGXLNKQIMD-LPWJVIDDSA-N 1 2 298.408 0.329 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnsn1)CCO2 ZINC001053173148 852700198 /nfs/dbraw/zinc/70/01/98/852700198.db2.gz KKIYEKCDHLCCAG-UHFFFAOYSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]1OCC)CCO2 ZINC001053173414 852700881 /nfs/dbraw/zinc/70/08/81/852700881.db2.gz UMHPJNMICKKCNF-UONOGXRCSA-N 1 2 294.395 0.901 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)cn1 ZINC001053512186 852753344 /nfs/dbraw/zinc/75/33/44/852753344.db2.gz LXSKQHUZKCWCSA-UHFFFAOYSA-N 1 2 299.374 1.000 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC001053518996 852754254 /nfs/dbraw/zinc/75/42/54/852754254.db2.gz HDRLORYRFXLWSX-UHFFFAOYSA-N 1 2 290.367 0.360 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCOC1)O2 ZINC001053581631 852766458 /nfs/dbraw/zinc/76/64/58/852766458.db2.gz SEIUCUJFNPWOLP-UONOGXRCSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncn1C)O2 ZINC001053627191 852771103 /nfs/dbraw/zinc/77/11/03/852771103.db2.gz PZFZFTVGISGGKA-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnon1)O2 ZINC001053678352 852776789 /nfs/dbraw/zinc/77/67/89/852776789.db2.gz WSNIBVSVCLSQKJ-SNVBAGLBSA-N 1 2 278.312 0.219 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001097921964 852863632 /nfs/dbraw/zinc/86/36/32/852863632.db2.gz NYDFGTZSMLQRDT-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO C=CCN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054023831 852870505 /nfs/dbraw/zinc/87/05/05/852870505.db2.gz HLTUBKNNVYRBEQ-LBPRGKRZSA-N 1 2 276.340 0.029 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[C@@H](C#N)C1 ZINC001254651050 852900999 /nfs/dbraw/zinc/90/09/99/852900999.db2.gz ZXURSCBMVVNRFI-MDZLAQPJSA-N 1 2 276.340 0.786 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001056687900 853184399 /nfs/dbraw/zinc/18/43/99/853184399.db2.gz TUDFKQYGGCYSHC-CYBMUJFWSA-N 1 2 296.334 0.932 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867186 853467309 /nfs/dbraw/zinc/46/73/09/853467309.db2.gz FBNVEZCIRORYCW-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867186 853467312 /nfs/dbraw/zinc/46/73/12/853467312.db2.gz FBNVEZCIRORYCW-ZDUSSCGKSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nccn1CC ZINC001050895362 853480163 /nfs/dbraw/zinc/48/01/63/853480163.db2.gz FAHWHXCKQSFROK-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nccn1CC ZINC001050895362 853480165 /nfs/dbraw/zinc/48/01/65/853480165.db2.gz FAHWHXCKQSFROK-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nccn1CC ZINC001050895364 853480338 /nfs/dbraw/zinc/48/03/38/853480338.db2.gz FAHWHXCKQSFROK-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nccn1CC ZINC001050895364 853480341 /nfs/dbraw/zinc/48/03/41/853480341.db2.gz FAHWHXCKQSFROK-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001050898156 853480481 /nfs/dbraw/zinc/48/04/81/853480481.db2.gz OZMKYIIRHZGHSF-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001050898156 853480487 /nfs/dbraw/zinc/48/04/87/853480487.db2.gz OZMKYIIRHZGHSF-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051967427 853666296 /nfs/dbraw/zinc/66/62/96/853666296.db2.gz SZZFDGWYZJYVBE-CYBMUJFWSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051967427 853666297 /nfs/dbraw/zinc/66/62/97/853666297.db2.gz SZZFDGWYZJYVBE-CYBMUJFWSA-N 1 2 281.375 0.586 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001051977778 853668377 /nfs/dbraw/zinc/66/83/77/853668377.db2.gz FZDQAFFXPBCTOC-CABCVRRESA-N 1 2 291.395 0.017 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051989425 853670300 /nfs/dbraw/zinc/67/03/00/853670300.db2.gz FVWUUYSVXJIAFC-LBPRGKRZSA-N 1 2 289.339 0.030 20 30 CCEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001051990655 853671870 /nfs/dbraw/zinc/67/18/70/853671870.db2.gz UKLYNTSZWDTIDC-ZDUSSCGKSA-N 1 2 289.383 0.428 20 30 CCEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001051990655 853671875 /nfs/dbraw/zinc/67/18/75/853671875.db2.gz UKLYNTSZWDTIDC-ZDUSSCGKSA-N 1 2 289.383 0.428 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052062478 853678954 /nfs/dbraw/zinc/67/89/54/853678954.db2.gz KJONQECPFWKIFN-OWCLPIDISA-N 1 2 289.423 0.884 20 30 CCEDLO CC[C@@H](CC#N)N1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC001255174153 853780320 /nfs/dbraw/zinc/78/03/20/853780320.db2.gz SDLMGRGUQFGGHT-NSHDSACASA-N 1 2 252.362 0.560 20 30 CCEDLO CC[C@@H](CC#N)N1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC001255174153 853780324 /nfs/dbraw/zinc/78/03/24/853780324.db2.gz SDLMGRGUQFGGHT-NSHDSACASA-N 1 2 252.362 0.560 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001058329976 853826301 /nfs/dbraw/zinc/82/63/01/853826301.db2.gz HPWZCTBWMYEUJL-LBPRGKRZSA-N 1 2 296.334 0.994 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](n2ccnn2)C1 ZINC001069894786 853994069 /nfs/dbraw/zinc/99/40/69/853994069.db2.gz LNQJSCCBNYBEHW-KFWWJZLASA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](n2ccnn2)C1 ZINC001069894786 853994078 /nfs/dbraw/zinc/99/40/78/853994078.db2.gz LNQJSCCBNYBEHW-KFWWJZLASA-N 1 2 299.378 0.609 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001070934973 854104404 /nfs/dbraw/zinc/10/44/04/854104404.db2.gz UOHMRMIRESLJFK-CHWSQXEVSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001070934973 854104409 /nfs/dbraw/zinc/10/44/09/854104409.db2.gz UOHMRMIRESLJFK-CHWSQXEVSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C/C2CC2)CC1 ZINC001070948709 854108343 /nfs/dbraw/zinc/10/83/43/854108343.db2.gz XHKLNEURPAEOQE-AATRIKPKSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C=C/C2CC2)CC1 ZINC001070948709 854108350 /nfs/dbraw/zinc/10/83/50/854108350.db2.gz XHKLNEURPAEOQE-AATRIKPKSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C)CC1 ZINC001071017153 854114785 /nfs/dbraw/zinc/11/47/85/854114785.db2.gz ISXVDJYNWGIRNS-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C)CC1 ZINC001071017153 854114790 /nfs/dbraw/zinc/11/47/90/854114790.db2.gz ISXVDJYNWGIRNS-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001072552769 854413983 /nfs/dbraw/zinc/41/39/83/854413983.db2.gz SGKRCSUAYULSER-GFCCVEGCSA-N 1 2 285.351 0.671 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001072552769 854413985 /nfs/dbraw/zinc/41/39/85/854413985.db2.gz SGKRCSUAYULSER-GFCCVEGCSA-N 1 2 285.351 0.671 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC001074236048 854702975 /nfs/dbraw/zinc/70/29/75/854702975.db2.gz LRZYTGIAANORPC-OLZOCXBDSA-N 1 2 288.351 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC001074236048 854702979 /nfs/dbraw/zinc/70/29/79/854702979.db2.gz LRZYTGIAANORPC-OLZOCXBDSA-N 1 2 288.351 0.348 20 30 CCEDLO C=CCN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001074418995 854728344 /nfs/dbraw/zinc/72/83/44/854728344.db2.gz CWTBYXFJDJIVHI-UONOGXRCSA-N 1 2 290.367 0.371 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001074895644 854795552 /nfs/dbraw/zinc/79/55/52/854795552.db2.gz DOCUWWPDGBYVHN-LOWDOPEQSA-N 1 2 287.367 0.626 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001098307340 854857253 /nfs/dbraw/zinc/85/72/53/854857253.db2.gz YLWABYVQIUUYTJ-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO Cc1nc(NCCN(CCO)C(=O)C#CC(C)C)cc[nH+]1 ZINC001111470411 854923732 /nfs/dbraw/zinc/92/37/32/854923732.db2.gz NNBSWHJRTWSSIZ-UHFFFAOYSA-N 1 2 290.367 0.677 20 30 CCEDLO Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001101673086 855339494 /nfs/dbraw/zinc/33/94/94/855339494.db2.gz WOMMYDRYSHCDRY-UHFFFAOYSA-N 1 2 299.338 0.424 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001101826280 855374826 /nfs/dbraw/zinc/37/48/26/855374826.db2.gz ADQKQLXWHGNNJL-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001101826280 855374828 /nfs/dbraw/zinc/37/48/28/855374828.db2.gz ADQKQLXWHGNNJL-GMTAPVOTSA-N 1 2 293.396 0.882 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115332580 855662839 /nfs/dbraw/zinc/66/28/39/855662839.db2.gz OZGDGRARMSQGLC-XEZLXBQYSA-N 1 2 292.339 0.207 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115332580 855662841 /nfs/dbraw/zinc/66/28/41/855662841.db2.gz OZGDGRARMSQGLC-XEZLXBQYSA-N 1 2 292.339 0.207 20 30 CCEDLO C=C[C@H](COC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001116841774 855843886 /nfs/dbraw/zinc/84/38/86/855843886.db2.gz OTYLZMGSZIEKHS-CHWSQXEVSA-N 1 2 285.388 0.550 20 30 CCEDLO C#CCNC(=O)CC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001117779744 856077147 /nfs/dbraw/zinc/07/71/47/856077147.db2.gz XJAHXNSFUKPDRD-UHFFFAOYSA-N 1 2 283.331 0.761 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001118093612 856159428 /nfs/dbraw/zinc/15/94/28/856159428.db2.gz UYSBAOQXALAHIP-NSHDSACASA-N 1 2 286.339 0.539 20 30 CCEDLO Cc1nc([C@H](C)NC[C@H](O)C[N@H+](C)CCC#N)no1 ZINC001118149767 856176299 /nfs/dbraw/zinc/17/62/99/856176299.db2.gz OMVGVIVHYGWDDG-ONGXEEELSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1nc([C@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)no1 ZINC001118149767 856176303 /nfs/dbraw/zinc/17/63/03/856176303.db2.gz OMVGVIVHYGWDDG-ONGXEEELSA-N 1 2 267.333 0.235 20 30 CCEDLO N#CC1(C[C@@H](O)C[NH2+]Cc2ccn[nH]2)CCOCC1 ZINC001118896853 856482344 /nfs/dbraw/zinc/48/23/44/856482344.db2.gz HJXZAPWUIOAJGZ-GFCCVEGCSA-N 1 2 264.329 0.571 20 30 CCEDLO N#Cc1cncc(C[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC001119676502 856831223 /nfs/dbraw/zinc/83/12/23/856831223.db2.gz JOIZUUAWHPBPDJ-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC001119676502 856831226 /nfs/dbraw/zinc/83/12/26/856831226.db2.gz JOIZUUAWHPBPDJ-UHFFFAOYSA-N 1 2 259.313 0.540 20 30 CCEDLO CCn1ncc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001392888833 912239501 /nfs/dbraw/zinc/23/95/01/912239501.db2.gz HHUJLFCDXPVPHG-JTQLQIEISA-N 1 2 276.344 0.196 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC001323895681 912568722 /nfs/dbraw/zinc/56/87/22/912568722.db2.gz NCKIUNSSQNBXSV-LBPRGKRZSA-N 1 2 268.357 0.368 20 30 CCEDLO C#CCN(C(=O)c1ccco1)C1CC[NH+](CC(N)=O)CC1 ZINC001324365007 912803903 /nfs/dbraw/zinc/80/39/03/912803903.db2.gz PQPNNFIPCVNBRF-UHFFFAOYSA-N 1 2 289.335 0.305 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001395114085 913559903 /nfs/dbraw/zinc/55/99/03/913559903.db2.gz ZCYGHBWBSCLVKH-QWRGUYRKSA-N 1 2 277.328 0.006 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001480906483 891734903 /nfs/dbraw/zinc/73/49/03/891734903.db2.gz AFHXZVJVVQQJAS-AWEZNQCLSA-N 1 2 280.372 0.276 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001480906483 891734914 /nfs/dbraw/zinc/73/49/14/891734914.db2.gz AFHXZVJVVQQJAS-AWEZNQCLSA-N 1 2 280.372 0.276 20 30 CCEDLO N#CCN[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001481374457 892601619 /nfs/dbraw/zinc/60/16/19/892601619.db2.gz PNOMGEVYSSJCHB-AWEZNQCLSA-N 1 2 283.335 0.854 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001481537922 892784020 /nfs/dbraw/zinc/78/40/20/892784020.db2.gz OSOLDHKJSQTTTM-LBPRGKRZSA-N 1 2 279.384 0.799 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001481537922 892784035 /nfs/dbraw/zinc/78/40/35/892784035.db2.gz OSOLDHKJSQTTTM-LBPRGKRZSA-N 1 2 279.384 0.799 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001481617248 892909751 /nfs/dbraw/zinc/90/97/51/892909751.db2.gz BVDUMEBRGKGCFP-UHFFFAOYSA-N 1 2 290.367 0.536 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481694406 893012558 /nfs/dbraw/zinc/01/25/58/893012558.db2.gz QZADKLKXHOWONY-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@@H](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481694406 893012579 /nfs/dbraw/zinc/01/25/79/893012579.db2.gz QZADKLKXHOWONY-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001481728307 893096901 /nfs/dbraw/zinc/09/69/01/893096901.db2.gz QRIXZTCVPBVABG-CQSZACIVSA-N 1 2 289.379 0.235 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001481728307 893096919 /nfs/dbraw/zinc/09/69/19/893096919.db2.gz QRIXZTCVPBVABG-CQSZACIVSA-N 1 2 289.379 0.235 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)CNCC#N)c[nH+]1 ZINC001482112945 893403937 /nfs/dbraw/zinc/40/39/37/893403937.db2.gz DYSNBHPXACUEDM-NSHDSACASA-N 1 2 277.372 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)OCC)C1 ZINC001482182793 893470194 /nfs/dbraw/zinc/47/01/94/893470194.db2.gz OGSJWUAMQJDMAZ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)OCC)C1 ZINC001482182793 893470196 /nfs/dbraw/zinc/47/01/96/893470196.db2.gz OGSJWUAMQJDMAZ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001482534226 894199816 /nfs/dbraw/zinc/19/98/16/894199816.db2.gz UNADSJNGTSEIOK-GFCCVEGCSA-N 1 2 294.403 0.797 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001482631163 894434346 /nfs/dbraw/zinc/43/43/46/894434346.db2.gz MLYORRBVHLQPRP-UHFFFAOYSA-N 1 2 255.362 0.464 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001482631163 894434352 /nfs/dbraw/zinc/43/43/52/894434352.db2.gz MLYORRBVHLQPRP-UHFFFAOYSA-N 1 2 255.362 0.464 20 30 CCEDLO C=CCCC(=O)N(CC)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482915264 894695092 /nfs/dbraw/zinc/69/50/92/894695092.db2.gz XQXRCVIAWFTUJQ-UHFFFAOYSA-N 1 2 281.360 0.013 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1nnc(C2CC2)o1 ZINC001482992811 894781056 /nfs/dbraw/zinc/78/10/56/894781056.db2.gz ZETIXNJZBYHGMJ-PBKGFPTLSA-N 1 2 289.339 0.869 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)o1 ZINC001483006759 894796644 /nfs/dbraw/zinc/79/66/44/894796644.db2.gz YIFPBRIVPBBRFG-PLNGDYQASA-N 1 2 276.340 0.799 20 30 CCEDLO C[C@H](C[NH2+]Cc1csnn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001483122256 894957541 /nfs/dbraw/zinc/95/75/41/894957541.db2.gz ZIBMINRRHVWITF-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001396786369 913959200 /nfs/dbraw/zinc/95/92/00/913959200.db2.gz SJFSCYBNWXGKGE-RYUDHWBXSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483353896 895493020 /nfs/dbraw/zinc/49/30/20/895493020.db2.gz ZWWLIIMWWPCUDW-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483353896 895493030 /nfs/dbraw/zinc/49/30/30/895493030.db2.gz ZWWLIIMWWPCUDW-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001483649939 895795058 /nfs/dbraw/zinc/79/50/58/895795058.db2.gz PNMRTXOLTHZJBD-CQSZACIVSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001483649939 895795074 /nfs/dbraw/zinc/79/50/74/895795074.db2.gz PNMRTXOLTHZJBD-CQSZACIVSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001483691391 895863814 /nfs/dbraw/zinc/86/38/14/895863814.db2.gz GXBTVKIHRGWYHZ-HIFRSBDPSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001483691391 895863831 /nfs/dbraw/zinc/86/38/31/895863831.db2.gz GXBTVKIHRGWYHZ-HIFRSBDPSA-N 1 2 277.368 0.069 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001483732845 895935079 /nfs/dbraw/zinc/93/50/79/895935079.db2.gz NKKZKQJZPQSDSZ-UHFFFAOYSA-N 1 2 276.340 0.858 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001484271662 896310086 /nfs/dbraw/zinc/31/00/86/896310086.db2.gz RIDHGGIIXCWRCV-ZDUSSCGKSA-N 1 2 266.385 0.999 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)CSCC#N ZINC001484587435 896481280 /nfs/dbraw/zinc/48/12/80/896481280.db2.gz NZVJYHSWJIHHMK-GFCCVEGCSA-N 1 2 285.413 0.860 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1CNC(=O)CSCC#N ZINC001484587435 896481287 /nfs/dbraw/zinc/48/12/87/896481287.db2.gz NZVJYHSWJIHHMK-GFCCVEGCSA-N 1 2 285.413 0.860 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)COC)O2 ZINC001484780382 896596998 /nfs/dbraw/zinc/59/69/98/896596998.db2.gz XDYURWYBOPCDBS-LLVKDONJSA-N 1 2 254.330 0.168 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484786681 896604700 /nfs/dbraw/zinc/60/47/00/896604700.db2.gz OOEODAPJCNRMIM-ZIAGYGMSSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001484798579 896611644 /nfs/dbraw/zinc/61/16/44/896611644.db2.gz MQXSJAOGIIXHKB-STQMWFEESA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)OC)CC2)C1 ZINC001484941894 896678599 /nfs/dbraw/zinc/67/85/99/896678599.db2.gz MOWWWXGTHFKRQM-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001485414912 897046675 /nfs/dbraw/zinc/04/66/75/897046675.db2.gz BABHCFXVVQCCDC-INIZCTEOSA-N 1 2 298.386 0.903 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001485552311 897115353 /nfs/dbraw/zinc/11/53/53/897115353.db2.gz AFUGZKMCAKMYNM-SWLSCSKDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001485552311 897115362 /nfs/dbraw/zinc/11/53/62/897115362.db2.gz AFUGZKMCAKMYNM-SWLSCSKDSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001077719951 897331175 /nfs/dbraw/zinc/33/11/75/897331175.db2.gz GFLYWDZQMIOUEZ-ZIAGYGMSSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001077719951 897331188 /nfs/dbraw/zinc/33/11/88/897331188.db2.gz GFLYWDZQMIOUEZ-ZIAGYGMSSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940365 897532517 /nfs/dbraw/zinc/53/25/17/897532517.db2.gz RRNXYWFKBJCNMD-GOEBONIOSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940365 897532533 /nfs/dbraw/zinc/53/25/33/897532533.db2.gz RRNXYWFKBJCNMD-GOEBONIOSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)on1 ZINC001032456587 897593103 /nfs/dbraw/zinc/59/31/03/897593103.db2.gz QEHXKRRVPCXXMY-RYUDHWBXSA-N 1 2 275.308 0.280 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)on1 ZINC001032456587 897593113 /nfs/dbraw/zinc/59/31/13/897593113.db2.gz QEHXKRRVPCXXMY-RYUDHWBXSA-N 1 2 275.308 0.280 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cccnc2n1 ZINC001032496574 897653405 /nfs/dbraw/zinc/65/34/05/897653405.db2.gz ILAYXNAWLAGEDY-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cccnc2n1 ZINC001032496574 897653412 /nfs/dbraw/zinc/65/34/12/897653412.db2.gz ILAYXNAWLAGEDY-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511674 897676010 /nfs/dbraw/zinc/67/60/10/897676010.db2.gz YMUDCJHVXXNBHH-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511674 897676016 /nfs/dbraw/zinc/67/60/16/897676016.db2.gz YMUDCJHVXXNBHH-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n(C)n1 ZINC001032520607 897695312 /nfs/dbraw/zinc/69/53/12/897695312.db2.gz YDKSUALJFSMCPA-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n(C)n1 ZINC001032520607 897695317 /nfs/dbraw/zinc/69/53/17/897695317.db2.gz YDKSUALJFSMCPA-UWVGGRQHSA-N 1 2 294.305 0.890 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)CC1 ZINC001032542011 897724973 /nfs/dbraw/zinc/72/49/73/897724973.db2.gz KBBWLLCYMMJDJE-IHRRRGAJSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)CC1 ZINC001032542011 897724980 /nfs/dbraw/zinc/72/49/80/897724980.db2.gz KBBWLLCYMMJDJE-IHRRRGAJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)n[nH]1 ZINC001032553962 897738138 /nfs/dbraw/zinc/73/81/38/897738138.db2.gz NPBLNBHDESQQKM-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)n[nH]1 ZINC001032553962 897738147 /nfs/dbraw/zinc/73/81/47/897738147.db2.gz NPBLNBHDESQQKM-STQMWFEESA-N 1 2 272.352 0.894 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cnn1C ZINC001032573455 897765285 /nfs/dbraw/zinc/76/52/85/897765285.db2.gz OODBTQSENIHGCS-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cnn1C ZINC001032573455 897765295 /nfs/dbraw/zinc/76/52/95/897765295.db2.gz OODBTQSENIHGCS-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCC2 ZINC001032583867 897778155 /nfs/dbraw/zinc/77/81/55/897778155.db2.gz GJKIBNGDHUVPNF-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCC2 ZINC001032583867 897778162 /nfs/dbraw/zinc/77/81/62/897778162.db2.gz GJKIBNGDHUVPNF-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccncc2C1 ZINC001032629880 897850226 /nfs/dbraw/zinc/85/02/26/897850226.db2.gz OQHBVGXVLDRFFS-BPUTZDHNSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccncc2C1 ZINC001032629880 897850239 /nfs/dbraw/zinc/85/02/39/897850239.db2.gz OQHBVGXVLDRFFS-BPUTZDHNSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)n1 ZINC001032680002 897924663 /nfs/dbraw/zinc/92/46/63/897924663.db2.gz VQLKRNPDOZVTGQ-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)n1 ZINC001032680002 897924675 /nfs/dbraw/zinc/92/46/75/897924675.db2.gz VQLKRNPDOZVTGQ-STQMWFEESA-N 1 2 270.336 0.625 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccnc1 ZINC001032685598 897932401 /nfs/dbraw/zinc/93/24/01/897932401.db2.gz KGWVCMZCJNGGGU-KBPBESRZSA-N 1 2 285.347 0.769 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccnc1 ZINC001032685598 897932417 /nfs/dbraw/zinc/93/24/17/897932417.db2.gz KGWVCMZCJNGGGU-KBPBESRZSA-N 1 2 285.347 0.769 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)c[nH]1 ZINC001032704326 897943952 /nfs/dbraw/zinc/94/39/52/897943952.db2.gz RFVDCWPRDPMCGV-RYUDHWBXSA-N 1 2 286.335 0.036 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)c[nH]1 ZINC001032704326 897943962 /nfs/dbraw/zinc/94/39/62/897943962.db2.gz RFVDCWPRDPMCGV-RYUDHWBXSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCCC2 ZINC001032718491 897968667 /nfs/dbraw/zinc/96/86/67/897968667.db2.gz ZTQAZPRXUHTAED-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCCC2 ZINC001032718491 897968684 /nfs/dbraw/zinc/96/86/84/897968684.db2.gz ZTQAZPRXUHTAED-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 ZINC001077895149 898005506 /nfs/dbraw/zinc/00/55/06/898005506.db2.gz UGEGTCHTUBWFNB-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 ZINC001077895149 898005515 /nfs/dbraw/zinc/00/55/15/898005515.db2.gz UGEGTCHTUBWFNB-VXGBXAGGSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001038534817 898081955 /nfs/dbraw/zinc/08/19/55/898081955.db2.gz YRNYZHBYQLSEFT-LBPRGKRZSA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001038534817 898081961 /nfs/dbraw/zinc/08/19/61/898081961.db2.gz YRNYZHBYQLSEFT-LBPRGKRZSA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001077949964 898099490 /nfs/dbraw/zinc/09/94/90/898099490.db2.gz XCYUECADOXEECY-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001077949964 898099503 /nfs/dbraw/zinc/09/95/03/898099503.db2.gz XCYUECADOXEECY-VXGBXAGGSA-N 1 2 289.335 0.350 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001077983080 898142914 /nfs/dbraw/zinc/14/29/14/898142914.db2.gz ILVFRZXBWJILOA-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001077983080 898142921 /nfs/dbraw/zinc/14/29/21/898142921.db2.gz ILVFRZXBWJILOA-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001077996947 898167476 /nfs/dbraw/zinc/16/74/76/898167476.db2.gz KRQAMRKPCWEWOY-DGCLKSJQSA-N 1 2 291.351 0.425 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001077996947 898167477 /nfs/dbraw/zinc/16/74/77/898167477.db2.gz KRQAMRKPCWEWOY-DGCLKSJQSA-N 1 2 291.351 0.425 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001078260606 898322718 /nfs/dbraw/zinc/32/27/18/898322718.db2.gz KLGJEVINDZTPDD-BHUNQDJPSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001078260606 898322730 /nfs/dbraw/zinc/32/27/30/898322730.db2.gz KLGJEVINDZTPDD-BHUNQDJPSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)N1CCCCC1=O ZINC001032797930 898356577 /nfs/dbraw/zinc/35/65/77/898356577.db2.gz IELPZDQXEHICDS-RDBSUJKOSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)N1CCCCC1=O ZINC001032797930 898356590 /nfs/dbraw/zinc/35/65/90/898356590.db2.gz IELPZDQXEHICDS-RDBSUJKOSA-N 1 2 289.379 0.306 20 30 CCEDLO COCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001410352709 899362461 /nfs/dbraw/zinc/36/24/61/899362461.db2.gz TVXTXUZUTGZMHL-NXEZZACHSA-N 1 2 295.343 0.312 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001410926843 899630242 /nfs/dbraw/zinc/63/02/42/899630242.db2.gz PENAFMZUTJKJTI-LLVKDONJSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](COC)OC)[C@H]1C ZINC001397796821 914382911 /nfs/dbraw/zinc/38/29/11/914382911.db2.gz IBZLYOCPGVFTCT-WOPDTQHZSA-N 1 2 290.791 0.979 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](COC)OC)[C@H]1C ZINC001397796821 914382928 /nfs/dbraw/zinc/38/29/28/914382928.db2.gz IBZLYOCPGVFTCT-WOPDTQHZSA-N 1 2 290.791 0.979 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001174883320 899950386 /nfs/dbraw/zinc/95/03/86/899950386.db2.gz XLTRMOIWOIRBNO-UHFFFAOYSA-N 1 2 289.335 0.215 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001494876480 900088347 /nfs/dbraw/zinc/08/83/47/900088347.db2.gz POGURKDFDIGGEF-RYUDHWBXSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001494876480 900088354 /nfs/dbraw/zinc/08/83/54/900088354.db2.gz POGURKDFDIGGEF-RYUDHWBXSA-N 1 2 288.413 0.386 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001488949953 900417524 /nfs/dbraw/zinc/41/75/24/900417524.db2.gz DENIRPWIXPFHAN-VXGBXAGGSA-N 1 2 291.355 0.396 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCNC(=O)C#CC2CC2)[nH]1 ZINC001490193399 900565422 /nfs/dbraw/zinc/56/54/22/900565422.db2.gz PBNQZUYJONQQSK-UHFFFAOYSA-N 1 2 275.356 0.465 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCNC(=O)C#CC2CC2)[nH]1 ZINC001490193399 900565433 /nfs/dbraw/zinc/56/54/33/900565433.db2.gz PBNQZUYJONQQSK-UHFFFAOYSA-N 1 2 275.356 0.465 20 30 CCEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001490537639 900651567 /nfs/dbraw/zinc/65/15/67/900651567.db2.gz HOJXQUDPPWQSTL-LBPRGKRZSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001490537639 900651572 /nfs/dbraw/zinc/65/15/72/900651572.db2.gz HOJXQUDPPWQSTL-LBPRGKRZSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](CC(=O)NC[C@H](NCC#N)C1CC1)n1cc[nH+]c1 ZINC001490716442 900700237 /nfs/dbraw/zinc/70/02/37/900700237.db2.gz GQKXMGWXXCSOGX-AAEUAGOBSA-N 1 2 275.356 0.842 20 30 CCEDLO C=CC(C)(C)C(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001296185618 900942339 /nfs/dbraw/zinc/94/23/39/900942339.db2.gz LTSGXLWZDJORHD-UHFFFAOYSA-N 1 2 278.356 0.739 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001327358190 914497547 /nfs/dbraw/zinc/49/75/47/914497547.db2.gz DWKQTPMJZSKTCF-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC)c1ccccc1 ZINC001492870437 914587390 /nfs/dbraw/zinc/58/73/90/914587390.db2.gz DSVZHNNDPLHHAX-AWEZNQCLSA-N 1 2 289.379 0.750 20 30 CCEDLO C=C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC)c1ccccc1 ZINC001492870437 914587404 /nfs/dbraw/zinc/58/74/04/914587404.db2.gz DSVZHNNDPLHHAX-AWEZNQCLSA-N 1 2 289.379 0.750 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001491205901 903445732 /nfs/dbraw/zinc/44/57/32/903445732.db2.gz VRDHNXNDQKUDNL-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001491205901 903445733 /nfs/dbraw/zinc/44/57/33/903445733.db2.gz VRDHNXNDQKUDNL-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)C#CC1CC1 ZINC001491278129 903480292 /nfs/dbraw/zinc/48/02/92/903480292.db2.gz NTGWXLPWDFEGKZ-NSHDSACASA-N 1 2 288.351 0.234 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)C#CC1CC1 ZINC001491278129 903480298 /nfs/dbraw/zinc/48/02/98/903480298.db2.gz NTGWXLPWDFEGKZ-NSHDSACASA-N 1 2 288.351 0.234 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COC(C)C)CCO2 ZINC001280891245 904166427 /nfs/dbraw/zinc/16/64/27/904166427.db2.gz LPJWLWHSCYGPJN-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)OC)C2)C1 ZINC001280932796 904177825 /nfs/dbraw/zinc/17/78/25/904177825.db2.gz AJWIUPBNZFWOQR-STQMWFEESA-N 1 2 298.383 0.183 20 30 CCEDLO COCC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001280948330 904179607 /nfs/dbraw/zinc/17/96/07/904179607.db2.gz RJSGWRCWXIUCBC-ZDUSSCGKSA-N 1 2 280.368 0.252 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282135254 904419984 /nfs/dbraw/zinc/41/99/84/904419984.db2.gz YFOZEFBHDCGMED-GHMZBOCLSA-N 1 2 294.403 0.795 20 30 CCEDLO C[C@@H](NCC#N)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282156706 904426039 /nfs/dbraw/zinc/42/60/39/904426039.db2.gz PNSLGECIWUPJPQ-GHMZBOCLSA-N 1 2 271.324 0.954 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cccnc2C)C1 ZINC001282530688 904501453 /nfs/dbraw/zinc/50/14/53/904501453.db2.gz VYQZHCVYFBKUOH-UHFFFAOYSA-N 1 2 287.363 0.580 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCCC=C)C1 ZINC001282735062 904532630 /nfs/dbraw/zinc/53/26/30/904532630.db2.gz JZMFCRUWZXMDOF-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001377232882 904707570 /nfs/dbraw/zinc/70/75/70/904707570.db2.gz PIULQLVDOCTZAY-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001377232882 904707575 /nfs/dbraw/zinc/70/75/75/904707575.db2.gz PIULQLVDOCTZAY-UHFFFAOYSA-N 1 2 298.350 0.549 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283205484 904754729 /nfs/dbraw/zinc/75/47/29/904754729.db2.gz XPFDXXVSRFHJAU-OLZOCXBDSA-N 1 2 289.383 0.844 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)C(=O)C#CC1CC1 ZINC001283581646 904915156 /nfs/dbraw/zinc/91/51/56/904915156.db2.gz LVOYSVPWRBPOQK-UHFFFAOYSA-N 1 2 288.351 0.261 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nn1 ZINC001378100284 905417435 /nfs/dbraw/zinc/41/74/35/905417435.db2.gz BFZWUQKPOUSUDF-WDEREUQCSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nn1 ZINC001378100284 905417442 /nfs/dbraw/zinc/41/74/42/905417442.db2.gz BFZWUQKPOUSUDF-WDEREUQCSA-N 1 2 289.339 0.335 20 30 CCEDLO C=CCCCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284936557 905494260 /nfs/dbraw/zinc/49/42/60/905494260.db2.gz SYCWMHNUPNDMTG-UHFFFAOYSA-N 1 2 276.340 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001378245419 905530198 /nfs/dbraw/zinc/53/01/98/905530198.db2.gz AKYKKJGRWIUOSO-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001378245419 905530206 /nfs/dbraw/zinc/53/02/06/905530206.db2.gz AKYKKJGRWIUOSO-NSHDSACASA-N 1 2 299.806 0.937 20 30 CCEDLO C=C(C)CCC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293368497 906464775 /nfs/dbraw/zinc/46/47/75/906464775.db2.gz CAVRLHYVUHRONF-UHFFFAOYSA-N 1 2 278.356 0.862 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296253162 906885509 /nfs/dbraw/zinc/88/55/09/906885509.db2.gz JBESBACDSKVUTM-RYUDHWBXSA-N 1 2 292.383 0.985 20 30 CCEDLO C=CCCC(=O)N(CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296385609 906910974 /nfs/dbraw/zinc/91/09/74/906910974.db2.gz WGLLDLIDSQEPEA-UHFFFAOYSA-N 1 2 278.356 0.883 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001296848018 906968634 /nfs/dbraw/zinc/96/86/34/906968634.db2.gz MNFMCNSFLDNJDK-UONOGXRCSA-N 1 2 277.368 0.861 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001296848018 906968648 /nfs/dbraw/zinc/96/86/48/906968648.db2.gz MNFMCNSFLDNJDK-UONOGXRCSA-N 1 2 277.368 0.861 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001296848016 906970055 /nfs/dbraw/zinc/97/00/55/906970055.db2.gz MNFMCNSFLDNJDK-KGLIPLIRSA-N 1 2 277.368 0.861 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001296848016 906970068 /nfs/dbraw/zinc/97/00/68/906970068.db2.gz MNFMCNSFLDNJDK-KGLIPLIRSA-N 1 2 277.368 0.861 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001298485050 907247377 /nfs/dbraw/zinc/24/73/77/907247377.db2.gz HCHJDYYQABMTHL-DLGQBQFBSA-N 1 2 289.339 0.221 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCn1ccnn1 ZINC001381520016 907268051 /nfs/dbraw/zinc/26/80/51/907268051.db2.gz QOTQVAMDCZTRKN-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCn1ccnn1 ZINC001381520016 907268061 /nfs/dbraw/zinc/26/80/61/907268061.db2.gz QOTQVAMDCZTRKN-LLVKDONJSA-N 1 2 285.779 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001298652738 907294082 /nfs/dbraw/zinc/29/40/82/907294082.db2.gz FCTRTROAXDEDEW-LLVKDONJSA-N 1 2 292.383 0.796 20 30 CCEDLO C=CCCCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001298900621 907352026 /nfs/dbraw/zinc/35/20/26/907352026.db2.gz XMEHXIGKQOGGAV-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001299813174 907402871 /nfs/dbraw/zinc/40/28/71/907402871.db2.gz LYQBFEXPSPMBFU-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO CCc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C#N)o1 ZINC001382052557 907512195 /nfs/dbraw/zinc/51/21/95/907512195.db2.gz ASXNXNHUZLAUCE-NXEZZACHSA-N 1 2 279.344 0.728 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC001382056146 907517431 /nfs/dbraw/zinc/51/74/31/907517431.db2.gz JFNZROLQADGWEE-VHSXEESVSA-N 1 2 294.359 0.232 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccon1 ZINC001382453788 907747398 /nfs/dbraw/zinc/74/73/98/907747398.db2.gz WOGRVKQJXJHKHX-ZYHUDNBSSA-N 1 2 280.328 0.085 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC001382453788 907747409 /nfs/dbraw/zinc/74/74/09/907747409.db2.gz WOGRVKQJXJHKHX-ZYHUDNBSSA-N 1 2 280.328 0.085 20 30 CCEDLO COCC#CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001328559733 908688099 /nfs/dbraw/zinc/68/80/99/908688099.db2.gz UCKITXLEVORFOQ-STQMWFEESA-N 1 2 261.325 0.942 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001386458803 908750088 /nfs/dbraw/zinc/75/00/88/908750088.db2.gz STWFOCWUTCALEG-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]1CC ZINC001316732587 908760465 /nfs/dbraw/zinc/76/04/65/908760465.db2.gz GDAKMLZJSPNZEA-SDDRHHMPSA-N 1 2 288.413 0.575 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]1CC ZINC001316732587 908760471 /nfs/dbraw/zinc/76/04/71/908760471.db2.gz GDAKMLZJSPNZEA-SDDRHHMPSA-N 1 2 288.413 0.575 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001317238999 909078117 /nfs/dbraw/zinc/07/81/17/909078117.db2.gz POTGIZGTWWFPJO-JTQLQIEISA-N 1 2 266.370 0.792 20 30 CCEDLO CN(CC#N)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317452265 909223383 /nfs/dbraw/zinc/22/33/83/909223383.db2.gz YKKWKFCRNLIZOK-NSHDSACASA-N 1 2 261.329 0.017 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1occc1Cl ZINC001317460551 909238283 /nfs/dbraw/zinc/23/82/83/909238283.db2.gz ZQYNBNASLXNDAL-UHFFFAOYSA-N 1 2 297.742 0.344 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1occc1Cl ZINC001317460551 909238297 /nfs/dbraw/zinc/23/82/97/909238297.db2.gz ZQYNBNASLXNDAL-UHFFFAOYSA-N 1 2 297.742 0.344 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCC(F)F ZINC001317820784 909511417 /nfs/dbraw/zinc/51/14/17/909511417.db2.gz XYFWHQPLYMQRAD-UHFFFAOYSA-N 1 2 288.342 0.631 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317926195 909538779 /nfs/dbraw/zinc/53/87/79/909538779.db2.gz DVRGAWDWUJVVTE-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317926195 909538791 /nfs/dbraw/zinc/53/87/91/909538791.db2.gz DVRGAWDWUJVVTE-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001317969498 909556649 /nfs/dbraw/zinc/55/66/49/909556649.db2.gz ZXGDLGAAPWZKIH-AWEZNQCLSA-N 1 2 291.395 0.529 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001317969498 909556660 /nfs/dbraw/zinc/55/66/60/909556660.db2.gz ZXGDLGAAPWZKIH-AWEZNQCLSA-N 1 2 291.395 0.529 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001318025168 909585749 /nfs/dbraw/zinc/58/57/49/909585749.db2.gz ULVBLZCFCOYRCJ-OAHLLOKOSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318076523 909611514 /nfs/dbraw/zinc/61/15/14/909611514.db2.gz APZRSKUJTAAUOW-GFCCVEGCSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001318119376 909630988 /nfs/dbraw/zinc/63/09/88/909630988.db2.gz SKQQOUMMVNYPRZ-NSHDSACASA-N 1 2 279.384 0.218 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC)C1 ZINC001318311953 909700205 /nfs/dbraw/zinc/70/02/05/909700205.db2.gz ISOVBBIQPOTRMB-GFCCVEGCSA-N 1 2 265.357 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC)C1 ZINC001318311953 909700212 /nfs/dbraw/zinc/70/02/12/909700212.db2.gz ISOVBBIQPOTRMB-GFCCVEGCSA-N 1 2 265.357 0.117 20 30 CCEDLO CC(C)(C)/C=C/C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318320718 909706340 /nfs/dbraw/zinc/70/63/40/909706340.db2.gz JMAULUVPFBEGGB-FVOPLDGLSA-N 1 2 292.383 0.419 20 30 CCEDLO CC(C)(C)/C=C/C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318320718 909706344 /nfs/dbraw/zinc/70/63/44/909706344.db2.gz JMAULUVPFBEGGB-FVOPLDGLSA-N 1 2 292.383 0.419 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001389448826 909901921 /nfs/dbraw/zinc/90/19/21/909901921.db2.gz JESLCOIATFKUIU-JQWIXIFHSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001389448826 909901930 /nfs/dbraw/zinc/90/19/30/909901930.db2.gz JESLCOIATFKUIU-JQWIXIFHSA-N 1 2 273.340 0.635 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001389446638 909902538 /nfs/dbraw/zinc/90/25/38/909902538.db2.gz FLSAPAFJQSPSCU-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001389446638 909902551 /nfs/dbraw/zinc/90/25/51/909902551.db2.gz FLSAPAFJQSPSCU-NEPJUHHUSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCOCC(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1 ZINC001319431691 910144049 /nfs/dbraw/zinc/14/40/49/910144049.db2.gz VRCKPQNMGDUXAD-SNVBAGLBSA-N 1 2 284.385 0.677 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1cccc(CC#N)n1 ZINC001320359004 910631073 /nfs/dbraw/zinc/63/10/73/910631073.db2.gz CHWOHBUMIDHSJE-UHFFFAOYSA-N 1 2 260.341 0.916 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001390782883 910674637 /nfs/dbraw/zinc/67/46/37/910674637.db2.gz NDPBUAIHTRKGCV-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001390782883 910674644 /nfs/dbraw/zinc/67/46/44/910674644.db2.gz NDPBUAIHTRKGCV-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)CC[NH2+]Cc2cnon2)c1 ZINC001320838267 910894954 /nfs/dbraw/zinc/89/49/54/910894954.db2.gz RBQIMEAKAGGERA-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001391390068 911099658 /nfs/dbraw/zinc/09/96/58/911099658.db2.gz NVWWOWULBLTKIT-NEPJUHHUSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001391390068 911099675 /nfs/dbraw/zinc/09/96/75/911099675.db2.gz NVWWOWULBLTKIT-NEPJUHHUSA-N 1 2 275.356 0.660 20 30 CCEDLO N#CC1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001321314625 911229261 /nfs/dbraw/zinc/22/92/61/911229261.db2.gz VLDDMSQOVDXMTB-UHFFFAOYSA-N 1 2 289.339 0.152 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001322157915 911682448 /nfs/dbraw/zinc/68/24/48/911682448.db2.gz ROUVWHZZTNLQHR-CYBMUJFWSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C ZINC001322157915 911682457 /nfs/dbraw/zinc/68/24/57/911682457.db2.gz ROUVWHZZTNLQHR-CYBMUJFWSA-N 1 2 293.367 0.959 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001417906442 921693622 /nfs/dbraw/zinc/69/36/22/921693622.db2.gz XFYAGGKQTJUEGD-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001417906442 921693629 /nfs/dbraw/zinc/69/36/29/921693629.db2.gz XFYAGGKQTJUEGD-VXGBXAGGSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001323197267 912170886 /nfs/dbraw/zinc/17/08/86/912170886.db2.gz CNKUXNWDDKACOQ-YPMHNXCESA-N 1 2 258.325 0.932 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001323197267 912170897 /nfs/dbraw/zinc/17/08/97/912170897.db2.gz CNKUXNWDDKACOQ-YPMHNXCESA-N 1 2 258.325 0.932 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCCO1 ZINC001323194690 912171347 /nfs/dbraw/zinc/17/13/47/912171347.db2.gz RCPAMDSJKIGIIH-UONOGXRCSA-N 1 2 280.368 0.396 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CCCO1 ZINC001323194690 912171365 /nfs/dbraw/zinc/17/13/65/912171365.db2.gz RCPAMDSJKIGIIH-UONOGXRCSA-N 1 2 280.368 0.396 20 30 CCEDLO CCCOCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323194531 912173371 /nfs/dbraw/zinc/17/33/71/912173371.db2.gz PTDSTPBCHSUUHQ-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO CCCOCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323194531 912173379 /nfs/dbraw/zinc/17/33/79/912173379.db2.gz PTDSTPBCHSUUHQ-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001323199900 912177161 /nfs/dbraw/zinc/17/71/61/912177161.db2.gz UAUJMGWQKKVUKJ-CQSZACIVSA-N 1 2 275.352 0.975 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001323199900 912177175 /nfs/dbraw/zinc/17/71/75/912177175.db2.gz UAUJMGWQKKVUKJ-CQSZACIVSA-N 1 2 275.352 0.975 20 30 CCEDLO CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001399629524 915274442 /nfs/dbraw/zinc/27/44/42/915274442.db2.gz BFTZDGQMJZAELR-JQWIXIFHSA-N 1 2 291.355 0.369 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCF ZINC001328732361 915394857 /nfs/dbraw/zinc/39/48/57/915394857.db2.gz DMPNUJDCDBZJQW-CABCVRRESA-N 1 2 295.402 0.976 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCF ZINC001328732361 915394873 /nfs/dbraw/zinc/39/48/73/915394873.db2.gz DMPNUJDCDBZJQW-CABCVRRESA-N 1 2 295.402 0.976 20 30 CCEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCF ZINC001328732361 915394906 /nfs/dbraw/zinc/39/49/06/915394906.db2.gz DMPNUJDCDBZJQW-CABCVRRESA-N 1 2 295.402 0.976 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001328784047 915430816 /nfs/dbraw/zinc/43/08/16/915430816.db2.gz AWWXAQLMGRAFRK-AWEZNQCLSA-N 1 2 289.383 0.799 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001329040824 915617112 /nfs/dbraw/zinc/61/71/12/915617112.db2.gz YKNMXMWNIDKFJN-UWVGGRQHSA-N 1 2 276.340 0.774 20 30 CCEDLO C[C@@H](NCC#N)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001329084154 915653802 /nfs/dbraw/zinc/65/38/02/915653802.db2.gz CCSHLHZSXBGUCU-MNOVXSKESA-N 1 2 263.345 0.359 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CCCCC#N ZINC001329451877 915925325 /nfs/dbraw/zinc/92/53/25/915925325.db2.gz COXVMGYRMQAAPR-UHFFFAOYSA-N 1 2 256.331 0.533 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)C=C)C2)C1 ZINC001330158539 916441144 /nfs/dbraw/zinc/44/11/44/916441144.db2.gz AHAODNFCKJBKRV-JKSUJKDBSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)C=C)C2)C1 ZINC001330158539 916441159 /nfs/dbraw/zinc/44/11/59/916441159.db2.gz AHAODNFCKJBKRV-JKSUJKDBSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330170663 916450622 /nfs/dbraw/zinc/45/06/22/916450622.db2.gz LUWHBBXCSMNWPE-LLVKDONJSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330170663 916450634 /nfs/dbraw/zinc/45/06/34/916450634.db2.gz LUWHBBXCSMNWPE-LLVKDONJSA-N 1 2 299.390 0.863 20 30 CCEDLO N#CC[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001330822260 916900700 /nfs/dbraw/zinc/90/07/00/916900700.db2.gz ISZCEJOYOYTSPG-LBPRGKRZSA-N 1 2 289.339 0.152 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H]2CCO[C@@H]2C1=O)[C@@H](C)COC ZINC001331472591 917353641 /nfs/dbraw/zinc/35/36/41/917353641.db2.gz BUCDKKKNXDRRKB-AVGNSLFASA-N 1 2 268.357 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H]2CCO[C@@H]2C1=O)[C@@H](C)COC ZINC001331472591 917353655 /nfs/dbraw/zinc/35/36/55/917353655.db2.gz BUCDKKKNXDRRKB-AVGNSLFASA-N 1 2 268.357 0.714 20 30 CCEDLO C=CCOC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001331934245 917732541 /nfs/dbraw/zinc/73/25/41/917732541.db2.gz MJCZOKVIAORCMY-KGLIPLIRSA-N 1 2 298.383 0.485 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CN1CCCC1=O ZINC001403813196 918030313 /nfs/dbraw/zinc/03/03/13/918030313.db2.gz NFUKWUMBUCMNJR-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CN1CCCC1=O ZINC001403813196 918030330 /nfs/dbraw/zinc/03/03/30/918030330.db2.gz NFUKWUMBUCMNJR-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO Cc1ncc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)cn1 ZINC001404867402 918499699 /nfs/dbraw/zinc/49/96/99/918499699.db2.gz BQODKEQCHKCLJV-SNVBAGLBSA-N 1 2 273.340 0.493 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 ZINC001404984991 918547418 /nfs/dbraw/zinc/54/74/18/918547418.db2.gz FQPNBGJQFJEKFR-PWSUYJOCSA-N 1 2 273.340 0.635 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 ZINC001404984991 918547431 /nfs/dbraw/zinc/54/74/31/918547431.db2.gz FQPNBGJQFJEKFR-PWSUYJOCSA-N 1 2 273.340 0.635 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCn2nccc21 ZINC001333183712 918716805 /nfs/dbraw/zinc/71/68/05/918716805.db2.gz JRUANHJFPJHGOV-WDEREUQCSA-N 1 2 292.339 0.281 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001336069387 920592561 /nfs/dbraw/zinc/59/25/61/920592561.db2.gz AGTXOEYHJXWMKW-CYBMUJFWSA-N 1 2 262.313 0.333 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001336069387 920592568 /nfs/dbraw/zinc/59/25/68/920592568.db2.gz AGTXOEYHJXWMKW-CYBMUJFWSA-N 1 2 262.313 0.333 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001416289708 920945387 /nfs/dbraw/zinc/94/53/87/920945387.db2.gz XJPPUQFDULCFNJ-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@](C)(O)CC)n2C)CC1 ZINC001339788670 921828245 /nfs/dbraw/zinc/82/82/45/921828245.db2.gz PBVPJDJVFVVADG-CQSZACIVSA-N 1 2 277.372 0.188 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C#N)n2C)CC1 ZINC001339947460 921890377 /nfs/dbraw/zinc/89/03/77/921890377.db2.gz XCWDJBIYBUOSCV-UHFFFAOYSA-N 1 2 286.383 0.663 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C)C#N)on1 ZINC001418596448 922296711 /nfs/dbraw/zinc/29/67/11/922296711.db2.gz SFRYJKSHQNMKHD-QWRGUYRKSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C)C#N)on1 ZINC001418596448 922296721 /nfs/dbraw/zinc/29/67/21/922296721.db2.gz SFRYJKSHQNMKHD-QWRGUYRKSA-N 1 2 292.339 0.923 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001419131116 922653531 /nfs/dbraw/zinc/65/35/31/922653531.db2.gz WGBIHFSQAGGDEC-JQWIXIFHSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001419131116 922653535 /nfs/dbraw/zinc/65/35/35/922653535.db2.gz WGBIHFSQAGGDEC-JQWIXIFHSA-N 1 2 287.791 0.796 20 30 CCEDLO N#CCN1CCC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342392559 922944247 /nfs/dbraw/zinc/94/42/47/922944247.db2.gz MAIWHGPMQAPFOG-GFCCVEGCSA-N 1 2 275.356 0.694 20 30 CCEDLO C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CCOC ZINC001342739650 923076840 /nfs/dbraw/zinc/07/68/40/923076840.db2.gz PJSJCGRWJJFWCX-UHFFFAOYSA-N 1 2 291.399 0.980 20 30 CCEDLO CCc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C#N)no1 ZINC001420066348 923279691 /nfs/dbraw/zinc/27/96/91/923279691.db2.gz IXQWYFVYVLDFRX-ZJUUUORDSA-N 1 2 279.344 0.776 20 30 CCEDLO C#CC[NH2+]CC(=O)Nc1ccc(F)cc1NS(C)(=O)=O ZINC001343591981 923387460 /nfs/dbraw/zinc/38/74/60/923387460.db2.gz KCBWDTQDFPSSSU-UHFFFAOYSA-N 1 2 299.327 0.359 20 30 CCEDLO CCCn1ncnc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001420915412 924018736 /nfs/dbraw/zinc/01/87/36/924018736.db2.gz AIXZGDAIUVLSJI-NSHDSACASA-N 1 2 290.371 0.586 20 30 CCEDLO C#CCCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346340940 924168575 /nfs/dbraw/zinc/16/85/75/924168575.db2.gz CNDOXRCLEMRCPB-CYBMUJFWSA-N 1 2 266.389 0.335 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001347114472 924373601 /nfs/dbraw/zinc/37/36/01/924373601.db2.gz SYRGJSPFUVMFNI-NSHDSACASA-N 1 2 262.313 0.692 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001347114472 924373609 /nfs/dbraw/zinc/37/36/09/924373609.db2.gz SYRGJSPFUVMFNI-NSHDSACASA-N 1 2 262.313 0.692 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001348485747 924702138 /nfs/dbraw/zinc/70/21/38/924702138.db2.gz SUTUYDADPNJSTH-ZDUSSCGKSA-N 1 2 267.329 0.680 20 30 CCEDLO COCC#CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001352242731 925546769 /nfs/dbraw/zinc/54/67/69/925546769.db2.gz MZHNDFJOPDJQPY-CQSZACIVSA-N 1 2 258.321 0.939 20 30 CCEDLO COCC#CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001352242731 925546775 /nfs/dbraw/zinc/54/67/75/925546775.db2.gz MZHNDFJOPDJQPY-CQSZACIVSA-N 1 2 258.321 0.939 20 30 CCEDLO N#Cc1ncc(NCc2ccc(N)[nH+]c2)nc1C#N ZINC001472760154 926140148 /nfs/dbraw/zinc/14/01/48/926140148.db2.gz UZWCJNQWOYMRDH-UHFFFAOYSA-N 1 2 251.253 0.809 20 30 CCEDLO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)CCC#N)o1 ZINC001356594214 926406682 /nfs/dbraw/zinc/40/66/82/926406682.db2.gz BKFIQPRWGYADNK-LLVKDONJSA-N 1 2 252.318 0.279 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001357794635 926597328 /nfs/dbraw/zinc/59/73/28/926597328.db2.gz CLNZXNKLDSTUCR-ONEGZZNKSA-N 1 2 288.351 0.400 20 30 CCEDLO C[N@H+](Cc1cc(C#N)ccn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001414002073 926789536 /nfs/dbraw/zinc/78/95/36/926789536.db2.gz LNXCJMFJRAYUJD-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001414002073 926789545 /nfs/dbraw/zinc/78/95/45/926789545.db2.gz LNXCJMFJRAYUJD-CYBMUJFWSA-N 1 2 294.380 0.419 20 30 CCEDLO CCCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001422790826 927516058 /nfs/dbraw/zinc/51/60/58/927516058.db2.gz CVCNQZXUYDWCCT-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO CCCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001422790826 927516065 /nfs/dbraw/zinc/51/60/65/927516065.db2.gz CVCNQZXUYDWCCT-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1C ZINC001362300553 927847931 /nfs/dbraw/zinc/84/79/31/927847931.db2.gz YLVSCSBBISWZPQ-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1C ZINC001362300553 927847949 /nfs/dbraw/zinc/84/79/49/927847949.db2.gz YLVSCSBBISWZPQ-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001424176406 928116747 /nfs/dbraw/zinc/11/67/47/928116747.db2.gz SJTJVJOAGOYKSW-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001424176406 928116751 /nfs/dbraw/zinc/11/67/51/928116751.db2.gz SJTJVJOAGOYKSW-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ncccn1 ZINC001424270787 928142930 /nfs/dbraw/zinc/14/29/30/928142930.db2.gz ARRUFVZAVWQLDH-GFCCVEGCSA-N 1 2 275.356 0.917 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1ncccn1 ZINC001424270787 928142939 /nfs/dbraw/zinc/14/29/39/928142939.db2.gz ARRUFVZAVWQLDH-GFCCVEGCSA-N 1 2 275.356 0.917 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C#N)cc1 ZINC001363146299 928920808 /nfs/dbraw/zinc/92/08/08/928920808.db2.gz XKVNNMLKTDCHLV-LBPRGKRZSA-N 1 2 270.292 0.755 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1C#N ZINC001363250346 929027589 /nfs/dbraw/zinc/02/75/89/929027589.db2.gz SPOKDAHWNIRIRZ-BXUZGUMPSA-N 1 2 290.319 0.130 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1C#N ZINC001363250346 929027601 /nfs/dbraw/zinc/02/76/01/929027601.db2.gz SPOKDAHWNIRIRZ-BXUZGUMPSA-N 1 2 290.319 0.130 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363284603 929075699 /nfs/dbraw/zinc/07/56/99/929075699.db2.gz XAAYDCHFYUAHSU-LBPRGKRZSA-N 1 2 285.307 0.318 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363284603 929075709 /nfs/dbraw/zinc/07/57/09/929075709.db2.gz XAAYDCHFYUAHSU-LBPRGKRZSA-N 1 2 285.307 0.318 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363663830 929466572 /nfs/dbraw/zinc/46/65/72/929466572.db2.gz ZIBNOJNXUGLCPG-NSHDSACASA-N 1 2 273.296 0.251 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363663830 929466577 /nfs/dbraw/zinc/46/65/77/929466577.db2.gz ZIBNOJNXUGLCPG-NSHDSACASA-N 1 2 273.296 0.251 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001444974184 929989651 /nfs/dbraw/zinc/98/96/51/929989651.db2.gz MMIFPPDIGBMHAI-GHMZBOCLSA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001444974184 929989653 /nfs/dbraw/zinc/98/96/53/929989653.db2.gz MMIFPPDIGBMHAI-GHMZBOCLSA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCn2cncn2)C1 ZINC001373497128 930219990 /nfs/dbraw/zinc/21/99/90/930219990.db2.gz UIXYBTOYDWVUIE-UHFFFAOYSA-N 1 2 283.763 0.469 20 30 CCEDLO C[C@H](F)CC[NH+]1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001446826711 930492816 /nfs/dbraw/zinc/49/28/16/930492816.db2.gz HHJXTROAQXWKEM-JTQLQIEISA-N 1 2 294.330 0.411 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001446833235 930495275 /nfs/dbraw/zinc/49/52/75/930495275.db2.gz STEXGKUWXVXXEK-NEPJUHHUSA-N 1 2 295.383 0.124 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374483438 930526098 /nfs/dbraw/zinc/52/60/98/930526098.db2.gz DKDZVAHSDBMRHI-SECBINFHSA-N 1 2 275.736 0.238 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374483438 930526109 /nfs/dbraw/zinc/52/61/09/930526109.db2.gz DKDZVAHSDBMRHI-SECBINFHSA-N 1 2 275.736 0.238 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC001447307601 930605765 /nfs/dbraw/zinc/60/57/65/930605765.db2.gz SFLBWQOSCRZFNF-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC001447307601 930605786 /nfs/dbraw/zinc/60/57/86/930605786.db2.gz SFLBWQOSCRZFNF-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(C(=O)NO)cc1 ZINC001448508731 930906155 /nfs/dbraw/zinc/90/61/55/930906155.db2.gz XXXLNIWNQLRECU-UHFFFAOYSA-N 1 2 274.280 0.388 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cnsn1 ZINC001376720049 931245445 /nfs/dbraw/zinc/24/54/45/931245445.db2.gz ZIKCRJGWDOYDCX-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO C=CC[C@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588727307 983975847 /nfs/dbraw/zinc/97/58/47/983975847.db2.gz BKRQMEKLQQHYDY-QWHCGFSZSA-N 1 2 295.383 0.430 20 30 CCEDLO C=CC[C@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588727307 983975853 /nfs/dbraw/zinc/97/58/53/983975853.db2.gz BKRQMEKLQQHYDY-QWHCGFSZSA-N 1 2 295.383 0.430 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000600005146 361851121 /nfs/dbraw/zinc/85/11/21/361851121.db2.gz NGGGOZZBOKNPST-LBPRGKRZSA-N 1 2 276.340 0.753 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000600424521 361958132 /nfs/dbraw/zinc/95/81/32/361958132.db2.gz KFIVPUSVOFKZHI-CYBMUJFWSA-N 1 2 259.309 0.619 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000600424521 361958137 /nfs/dbraw/zinc/95/81/37/361958137.db2.gz KFIVPUSVOFKZHI-CYBMUJFWSA-N 1 2 259.309 0.619 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422640 361958623 /nfs/dbraw/zinc/95/86/23/361958623.db2.gz WQFSUTKISLRKCA-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422640 361958625 /nfs/dbraw/zinc/95/86/25/361958625.db2.gz WQFSUTKISLRKCA-LBPRGKRZSA-N 1 2 274.324 0.322 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000273117056 192048789 /nfs/dbraw/zinc/04/87/89/192048789.db2.gz SAXLWBPMBBOCQT-UHFFFAOYSA-N 1 2 257.315 0.049 20 30 CCEDLO Cc1cc(NCCCn2c(=O)ccn(C)c2=O)c(C#N)c[nH+]1 ZINC000601176031 362167186 /nfs/dbraw/zinc/16/71/86/362167186.db2.gz DIZCSOIBEVQYHS-UHFFFAOYSA-N 1 2 299.334 0.046 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC(F)(F)C2)C1 ZINC000330199878 529782577 /nfs/dbraw/zinc/78/25/77/529782577.db2.gz WAAYHCKZYAVVKB-JTQLQIEISA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC(F)(F)C2)C1 ZINC000330199878 529782579 /nfs/dbraw/zinc/78/25/79/529782579.db2.gz WAAYHCKZYAVVKB-JTQLQIEISA-N 1 2 277.315 0.866 20 30 CCEDLO COCCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000126936268 187271594 /nfs/dbraw/zinc/27/15/94/187271594.db2.gz QCZGAHOCXRMICU-INIZCTEOSA-N 1 2 289.379 0.856 20 30 CCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C=Cc1[nH]cc[nH+]1 ZINC000493558383 529896633 /nfs/dbraw/zinc/89/66/33/529896633.db2.gz PLAQATROZOGKDD-PLNGDYQASA-N 1 2 299.338 0.521 20 30 CCEDLO C[C@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1CCCCCC1 ZINC000601639066 362335446 /nfs/dbraw/zinc/33/54/46/362335446.db2.gz GXFIKRXLICFPFL-SNVBAGLBSA-N 1 2 261.329 0.906 20 30 CCEDLO CN(C)S(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000602026526 362462785 /nfs/dbraw/zinc/46/27/85/362462785.db2.gz YBQBZFMGQJMJGZ-UHFFFAOYSA-N 1 2 285.344 0.678 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCc2cscn2)C1 ZINC000330173585 530070887 /nfs/dbraw/zinc/07/08/87/530070887.db2.gz HNGAAQXXQDMLGD-GFCCVEGCSA-N 1 2 297.428 0.435 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCc2cscn2)C1 ZINC000330173585 530070888 /nfs/dbraw/zinc/07/08/88/530070888.db2.gz HNGAAQXXQDMLGD-GFCCVEGCSA-N 1 2 297.428 0.435 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000329027800 530070920 /nfs/dbraw/zinc/07/09/20/530070920.db2.gz KHBFPLNHQRTKIW-CYBMUJFWSA-N 1 2 298.431 0.553 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000329027800 530070921 /nfs/dbraw/zinc/07/09/21/530070921.db2.gz KHBFPLNHQRTKIW-CYBMUJFWSA-N 1 2 298.431 0.553 20 30 CCEDLO N#CC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000602326155 362586519 /nfs/dbraw/zinc/58/65/19/362586519.db2.gz IUZCWVBLSYVHTA-JTQLQIEISA-N 1 2 259.313 0.801 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(C2CC2)c1 ZINC000602333199 362588837 /nfs/dbraw/zinc/58/88/37/362588837.db2.gz NBYIZLYLVAGIAQ-CYBMUJFWSA-N 1 2 261.329 0.792 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602481697 362638496 /nfs/dbraw/zinc/63/84/96/362638496.db2.gz AETVKWXNMDDYBH-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602481697 362638498 /nfs/dbraw/zinc/63/84/98/362638498.db2.gz AETVKWXNMDDYBH-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CCC[N@H+](Cc1cccc(C#N)n1)[C@@H]1CC(=O)N(C)C1=O ZINC000602657427 362735967 /nfs/dbraw/zinc/73/59/67/362735967.db2.gz GHBKJCMQODOOBB-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CC(=O)N(C)C1=O ZINC000602657427 362735970 /nfs/dbraw/zinc/73/59/70/362735970.db2.gz GHBKJCMQODOOBB-CYBMUJFWSA-N 1 2 286.335 0.923 20 30 CCEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)[nH]c1C ZINC000602694733 362753856 /nfs/dbraw/zinc/75/38/56/362753856.db2.gz BSXDNVDOZZOYGA-CQSZACIVSA-N 1 2 277.324 0.960 20 30 CCEDLO COC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)[nH]c1C ZINC000602694733 362753863 /nfs/dbraw/zinc/75/38/63/362753863.db2.gz BSXDNVDOZZOYGA-CQSZACIVSA-N 1 2 277.324 0.960 20 30 CCEDLO COCCn1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000602748856 362781438 /nfs/dbraw/zinc/78/14/38/362781438.db2.gz SXFREQBVZWHZLJ-UHFFFAOYSA-N 1 2 277.372 0.561 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCSC[C@H]3CO)cnc12 ZINC000602752491 362786435 /nfs/dbraw/zinc/78/64/35/362786435.db2.gz XPSVERJUPJODIP-GFCCVEGCSA-N 1 2 289.364 0.511 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCSC[C@H]3CO)cnc12 ZINC000602752491 362786439 /nfs/dbraw/zinc/78/64/39/362786439.db2.gz XPSVERJUPJODIP-GFCCVEGCSA-N 1 2 289.364 0.511 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602816283 362816939 /nfs/dbraw/zinc/81/69/39/362816939.db2.gz UMTUNTPKZVHWKC-MNOVXSKESA-N 1 2 252.314 0.679 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602816283 362816945 /nfs/dbraw/zinc/81/69/45/362816945.db2.gz UMTUNTPKZVHWKC-MNOVXSKESA-N 1 2 252.314 0.679 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602861991 362846698 /nfs/dbraw/zinc/84/66/98/362846698.db2.gz KEMHROSBNWCUNJ-CMPLNLGQSA-N 1 2 266.345 0.005 20 30 CCEDLO C=CCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856113 362841982 /nfs/dbraw/zinc/84/19/82/362841982.db2.gz INAJJIFBDAHOAL-VXGBXAGGSA-N 1 2 250.346 0.207 20 30 CCEDLO CCOC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857228 362843773 /nfs/dbraw/zinc/84/37/73/362843773.db2.gz PYAFODOYZNRLTO-UTUOFQBUSA-N 1 2 253.346 0.856 20 30 CCEDLO C[C@H]1C[NH+](Cc2nccc(N)n2)C[C@H](C)N1CC#N ZINC000602856304 362843923 /nfs/dbraw/zinc/84/39/23/362843923.db2.gz YRHUQHJILULABC-QWRGUYRKSA-N 1 2 260.345 0.307 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000602862975 362847755 /nfs/dbraw/zinc/84/77/55/362847755.db2.gz LMWWSOGHIGGFLM-NWDGAFQWSA-N 1 2 289.335 0.834 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](C)[NH+]1C ZINC000235683576 136965084 /nfs/dbraw/zinc/96/50/84/136965084.db2.gz SWDMBTHCDJDDNZ-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCCOC2)c1C#N ZINC000535510710 290832870 /nfs/dbraw/zinc/83/28/70/290832870.db2.gz KDMNATADQXNDDN-SNVBAGLBSA-N 1 2 291.355 0.220 20 30 CCEDLO N#Cc1ccsc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000343020631 137110196 /nfs/dbraw/zinc/11/01/96/137110196.db2.gz TZBOKBWQPJFTCO-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO N#Cc1ccsc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000343020631 137110197 /nfs/dbraw/zinc/11/01/97/137110197.db2.gz TZBOKBWQPJFTCO-UHFFFAOYSA-N 1 2 292.364 0.171 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741893 137154110 /nfs/dbraw/zinc/15/41/10/137154110.db2.gz GZNAWFSJKKPQIL-JQWIXIFHSA-N 1 2 295.364 0.182 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741893 137154111 /nfs/dbraw/zinc/15/41/11/137154111.db2.gz GZNAWFSJKKPQIL-JQWIXIFHSA-N 1 2 295.364 0.182 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000026227417 348093874 /nfs/dbraw/zinc/09/38/74/348093874.db2.gz BJELXJUWZVWHGB-UHFFFAOYSA-N 1 2 290.342 0.908 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000602867965 362851624 /nfs/dbraw/zinc/85/16/24/362851624.db2.gz GENGYMCGUATLLV-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)C(C)C ZINC000602870143 362852691 /nfs/dbraw/zinc/85/26/91/362852691.db2.gz LNZLSOMHZCNYOS-ONGXEEELSA-N 1 2 255.318 0.192 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602911994 362883016 /nfs/dbraw/zinc/88/30/16/362883016.db2.gz MFXBBQURPFHTRW-CQSZACIVSA-N 1 2 269.341 0.680 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602911994 362883022 /nfs/dbraw/zinc/88/30/22/362883022.db2.gz MFXBBQURPFHTRW-CQSZACIVSA-N 1 2 269.341 0.680 20 30 CCEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000602935884 362897514 /nfs/dbraw/zinc/89/75/14/362897514.db2.gz AXACVLNNWOMDSW-CQSZACIVSA-N 1 2 275.356 0.958 20 30 CCEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000602935884 362897521 /nfs/dbraw/zinc/89/75/21/362897521.db2.gz AXACVLNNWOMDSW-CQSZACIVSA-N 1 2 275.356 0.958 20 30 CCEDLO COCc1ncc2c(n1)CC[N@@H+](CCOCCC#N)C2 ZINC000602926286 362888485 /nfs/dbraw/zinc/88/84/85/362888485.db2.gz REJXSNNKLYCGNH-UHFFFAOYSA-N 1 2 276.340 0.911 20 30 CCEDLO COCc1ncc2c(n1)CC[N@H+](CCOCCC#N)C2 ZINC000602926286 362888489 /nfs/dbraw/zinc/88/84/89/362888489.db2.gz REJXSNNKLYCGNH-UHFFFAOYSA-N 1 2 276.340 0.911 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975068 362917470 /nfs/dbraw/zinc/91/74/70/362917470.db2.gz YGALKHLZYFMFLB-MWLCHTKSSA-N 1 2 264.329 0.599 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975068 362917475 /nfs/dbraw/zinc/91/74/75/362917475.db2.gz YGALKHLZYFMFLB-MWLCHTKSSA-N 1 2 264.329 0.599 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273353899 192123587 /nfs/dbraw/zinc/12/35/87/192123587.db2.gz VOCSSOFYSFVRIV-QWRGUYRKSA-N 1 2 252.318 0.508 20 30 CCEDLO CC(C)(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054971907 348566750 /nfs/dbraw/zinc/56/67/50/348566750.db2.gz DCSIHMHXTQIPET-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000064248549 348697629 /nfs/dbraw/zinc/69/76/29/348697629.db2.gz ARDKGWJLGNYGCV-UHFFFAOYSA-N 1 2 299.378 0.696 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000066497690 348745757 /nfs/dbraw/zinc/74/57/57/348745757.db2.gz BFANNNOMNBIOQM-NSHDSACASA-N 1 2 266.345 0.007 20 30 CCEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000066497690 348745761 /nfs/dbraw/zinc/74/57/61/348745761.db2.gz BFANNNOMNBIOQM-NSHDSACASA-N 1 2 266.345 0.007 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000070921266 348898987 /nfs/dbraw/zinc/89/89/87/348898987.db2.gz ZOPTWQQGDZAVOO-STQMWFEESA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072679842 348927582 /nfs/dbraw/zinc/92/75/82/348927582.db2.gz CFQRXWZTLIOHDE-STQMWFEESA-N 1 2 265.357 0.717 20 30 CCEDLO Cc1nc(C(=O)NCCn2cc[nH+]c2)ccc1C#N ZINC000078425914 349138050 /nfs/dbraw/zinc/13/80/50/349138050.db2.gz MBZGKBZXYOJZLP-UHFFFAOYSA-N 1 2 255.281 0.888 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(C#N)nc1 ZINC000081016156 349240330 /nfs/dbraw/zinc/24/03/30/349240330.db2.gz XWACZHUUDUCKDF-AWEZNQCLSA-N 1 2 276.340 0.083 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000121166224 350025281 /nfs/dbraw/zinc/02/52/81/350025281.db2.gz QPJQFBIIGXFKTE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000121166224 350025285 /nfs/dbraw/zinc/02/52/85/350025285.db2.gz QPJQFBIIGXFKTE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271340041 191083452 /nfs/dbraw/zinc/08/34/52/191083452.db2.gz GHHBTGLJLWLJBU-UHFFFAOYSA-N 1 2 296.367 0.187 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603087855 362956769 /nfs/dbraw/zinc/95/67/69/362956769.db2.gz MHQQCKKHZPVQOH-FZMZJTMJSA-N 1 2 257.293 0.563 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603087855 362956774 /nfs/dbraw/zinc/95/67/74/362956774.db2.gz MHQQCKKHZPVQOH-FZMZJTMJSA-N 1 2 257.293 0.563 20 30 CCEDLO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000141947700 350456073 /nfs/dbraw/zinc/45/60/73/350456073.db2.gz ZQMXZZPPMOVUDN-UHFFFAOYSA-N 1 2 275.356 0.614 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159822365 350689557 /nfs/dbraw/zinc/68/95/57/350689557.db2.gz PHRYDECTZSQBLH-UHFFFAOYSA-N 1 2 255.325 0.975 20 30 CCEDLO CCCOCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162518908 350744886 /nfs/dbraw/zinc/74/48/86/350744886.db2.gz VMUITMRROWKNSE-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000171498039 350913269 /nfs/dbraw/zinc/91/32/69/350913269.db2.gz QUIKPSPWEBGVIT-UHFFFAOYSA-N 1 2 276.315 0.300 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCOC1 ZINC000171037841 350880739 /nfs/dbraw/zinc/88/07/39/350880739.db2.gz YPWYBJLHTKVAFZ-AWEZNQCLSA-N 1 2 295.383 0.487 20 30 CCEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000181284082 351310776 /nfs/dbraw/zinc/31/07/76/351310776.db2.gz XXQBIHODNCSIAD-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO C[N@H+](CCO)Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603246192 363021185 /nfs/dbraw/zinc/02/11/85/363021185.db2.gz ASHGKRDOVHDGRL-UHFFFAOYSA-N 1 2 285.351 0.817 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603246192 363021188 /nfs/dbraw/zinc/02/11/88/363021188.db2.gz ASHGKRDOVHDGRL-UHFFFAOYSA-N 1 2 285.351 0.817 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187429774 351542866 /nfs/dbraw/zinc/54/28/66/351542866.db2.gz OCMZSBKESSNDJB-STQMWFEESA-N 1 2 279.384 0.773 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187429774 351542869 /nfs/dbraw/zinc/54/28/69/351542869.db2.gz OCMZSBKESSNDJB-STQMWFEESA-N 1 2 279.384 0.773 20 30 CCEDLO CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603397020 363109220 /nfs/dbraw/zinc/10/92/20/363109220.db2.gz NVOKYZAWNDHCMJ-RYUDHWBXSA-N 1 2 282.369 0.837 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603857797 363163098 /nfs/dbraw/zinc/16/30/98/363163098.db2.gz WEDMPLOMHAOODZ-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603857797 363163100 /nfs/dbraw/zinc/16/31/00/363163100.db2.gz WEDMPLOMHAOODZ-UHFFFAOYSA-N 1 2 294.399 0.739 20 30 CCEDLO N#Cc1ccnc(NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000269518232 352836245 /nfs/dbraw/zinc/83/62/45/352836245.db2.gz VAKHLWNKXVZDFL-LLVKDONJSA-N 1 2 288.311 0.273 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000277004827 353216749 /nfs/dbraw/zinc/21/67/49/353216749.db2.gz OWPNLQCNZGBWFY-UHFFFAOYSA-N 1 2 260.293 0.517 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000277004827 353216752 /nfs/dbraw/zinc/21/67/52/353216752.db2.gz OWPNLQCNZGBWFY-UHFFFAOYSA-N 1 2 260.293 0.517 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000277962240 353274816 /nfs/dbraw/zinc/27/48/16/353274816.db2.gz LZATXDOPRGPRQN-AWEZNQCLSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000277751716 353263607 /nfs/dbraw/zinc/26/36/07/353263607.db2.gz RPVXULDRZNDZPS-AWEZNQCLSA-N 1 2 275.396 0.401 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000283230948 353492130 /nfs/dbraw/zinc/49/21/30/353492130.db2.gz YWJPREAFGFFORM-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2snc(C)c2C#N)CC1 ZINC000283580284 353517237 /nfs/dbraw/zinc/51/72/37/353517237.db2.gz OWKIXKFMEBCYLI-UHFFFAOYSA-N 1 2 293.396 0.899 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000286156438 353565815 /nfs/dbraw/zinc/56/58/15/353565815.db2.gz IZTHDHZENRZMAG-GFCCVEGCSA-N 1 2 258.329 0.068 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2CO)nc1 ZINC000290438623 353727609 /nfs/dbraw/zinc/72/76/09/353727609.db2.gz VLJPCUZPAVTQCQ-GFCCVEGCSA-N 1 2 295.364 0.184 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000290438623 353727611 /nfs/dbraw/zinc/72/76/11/353727611.db2.gz VLJPCUZPAVTQCQ-GFCCVEGCSA-N 1 2 295.364 0.184 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189176 353936250 /nfs/dbraw/zinc/93/62/50/353936250.db2.gz MDQPZQUMOSDSQD-GWCFXTLKSA-N 1 2 259.309 0.412 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(=O)N1 ZINC000296189176 353936253 /nfs/dbraw/zinc/93/62/53/353936253.db2.gz MDQPZQUMOSDSQD-GWCFXTLKSA-N 1 2 259.309 0.412 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cccc(C#N)n2)CC1 ZINC000301292671 354075668 /nfs/dbraw/zinc/07/56/68/354075668.db2.gz VNPZERKQQSEIQI-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(C#N)cs1)S(C)(=O)=O ZINC000309580422 354186957 /nfs/dbraw/zinc/18/69/57/354186957.db2.gz QERRUGQGLOZQDP-SSDOTTSWSA-N 1 2 259.356 0.537 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226933 355531396 /nfs/dbraw/zinc/53/13/96/355531396.db2.gz ULWHWCIZDMSIFN-GXFFZTMASA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226933 355531400 /nfs/dbraw/zinc/53/14/00/355531400.db2.gz ULWHWCIZDMSIFN-GXFFZTMASA-N 1 2 286.335 0.706 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000353761485 356289136 /nfs/dbraw/zinc/28/91/36/356289136.db2.gz UTGGNDKBSWYXBP-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO Cc1onc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)c1C#N ZINC000354376586 356402043 /nfs/dbraw/zinc/40/20/43/356402043.db2.gz AFOPMSJIJQMUMC-SECBINFHSA-N 1 2 273.296 0.799 20 30 CCEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000362734570 138071670 /nfs/dbraw/zinc/07/16/70/138071670.db2.gz YSKRRPDPJXEQLA-UHFFFAOYSA-N 1 2 297.355 0.950 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)c1cnn(C)c1C#N ZINC000354577252 356443466 /nfs/dbraw/zinc/44/34/66/356443466.db2.gz XAHDBLKYMBYQDE-UHFFFAOYSA-N 1 2 284.323 0.683 20 30 CCEDLO N#CCc1ccccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000619572212 366285406 /nfs/dbraw/zinc/28/54/06/366285406.db2.gz RVCMQJHBQHECII-UHFFFAOYSA-N 1 2 290.348 0.928 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(CC#N)CC1 ZINC000609323256 363488850 /nfs/dbraw/zinc/48/88/50/363488850.db2.gz FMGIHUAHBNYFMM-GFCCVEGCSA-N 1 2 290.371 0.559 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC000609449267 363496345 /nfs/dbraw/zinc/49/63/45/363496345.db2.gz RSPRDRKLLOTXDY-GFCCVEGCSA-N 1 2 288.355 0.017 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000609485174 363498497 /nfs/dbraw/zinc/49/84/97/363498497.db2.gz KUAXUXUADCKYFY-ZDUSSCGKSA-N 1 2 264.373 0.384 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000609485971 363498512 /nfs/dbraw/zinc/49/85/12/363498512.db2.gz AWLSVKZAJJUIHN-TZMCWYRMSA-N 1 2 278.400 0.819 20 30 CCEDLO C=C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)OC ZINC000619700431 366324414 /nfs/dbraw/zinc/32/44/14/366324414.db2.gz WZNOPBPSWIEEEK-GFCCVEGCSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)C(=O)OC ZINC000619704027 366327486 /nfs/dbraw/zinc/32/74/86/366327486.db2.gz SUVSSFXNUXEEIJ-LBPRGKRZSA-N 1 2 276.340 0.763 20 30 CCEDLO C=C[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)C(=O)OC ZINC000619704316 366329120 /nfs/dbraw/zinc/32/91/20/366329120.db2.gz DCMLPXGXMYSZRD-VXGBXAGGSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000619716384 366333638 /nfs/dbraw/zinc/33/36/38/366333638.db2.gz OMMYMTDXLVUEJF-GFCCVEGCSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000619717751 366336490 /nfs/dbraw/zinc/33/64/90/366336490.db2.gz HSUWMFJHXWXJRF-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000619717751 366336496 /nfs/dbraw/zinc/33/64/96/366336496.db2.gz HSUWMFJHXWXJRF-NEPJUHHUSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000619718313 366337459 /nfs/dbraw/zinc/33/74/59/366337459.db2.gz IANRDGLHWDFNMY-STQMWFEESA-N 1 2 269.341 0.984 20 30 CCEDLO CC(C)(C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000619775802 366350298 /nfs/dbraw/zinc/35/02/98/366350298.db2.gz RJRLCMXFMBHFFS-UHFFFAOYSA-N 1 2 294.399 0.201 20 30 CCEDLO CCC[N@H+](Cc1ccnc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000619783954 366352502 /nfs/dbraw/zinc/35/25/02/366352502.db2.gz QFFAJBBJPFUWFD-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000619783954 366352506 /nfs/dbraw/zinc/35/25/06/366352506.db2.gz QFFAJBBJPFUWFD-ZDUSSCGKSA-N 1 2 286.335 0.923 20 30 CCEDLO C[C@H](CNC(=O)c1cnn(C)c1C#N)Cn1cc[nH+]c1 ZINC000356151113 356712401 /nfs/dbraw/zinc/71/24/01/356712401.db2.gz XMWFATIOORBYNQ-SNVBAGLBSA-N 1 2 272.312 0.554 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@]1(CO)CCOC1 ZINC000359792385 356894678 /nfs/dbraw/zinc/89/46/78/356894678.db2.gz HFPKASRPDLXERA-HNNXBMFYSA-N 1 2 289.335 0.580 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@]1(CO)CCOC1 ZINC000359792385 356894681 /nfs/dbraw/zinc/89/46/81/356894681.db2.gz HFPKASRPDLXERA-HNNXBMFYSA-N 1 2 289.335 0.580 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365277156 357140249 /nfs/dbraw/zinc/14/02/49/357140249.db2.gz SXAVDKGOJJBKKG-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365277156 357140250 /nfs/dbraw/zinc/14/02/50/357140250.db2.gz SXAVDKGOJJBKKG-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367146411 357269444 /nfs/dbraw/zinc/26/94/44/357269444.db2.gz WEPTWQQMEOWCHP-ZDUSSCGKSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367146411 357269449 /nfs/dbraw/zinc/26/94/49/357269449.db2.gz WEPTWQQMEOWCHP-ZDUSSCGKSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000374124406 357395865 /nfs/dbraw/zinc/39/58/65/357395865.db2.gz ACVAHFCWSGIZPN-CYBMUJFWSA-N 1 2 289.383 0.598 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604274 363584449 /nfs/dbraw/zinc/58/44/49/363584449.db2.gz LJDFOFGHLCVRBK-WCFLWFBJSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604274 363584455 /nfs/dbraw/zinc/58/44/55/363584455.db2.gz LJDFOFGHLCVRBK-WCFLWFBJSA-N 1 2 289.335 0.313 20 30 CCEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000453581815 236276160 /nfs/dbraw/zinc/27/61/60/236276160.db2.gz HRCGSGYPUSYBCP-UHFFFAOYSA-N 1 2 286.335 0.579 20 30 CCEDLO COC(=O)Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)nn1 ZINC000294591664 199098766 /nfs/dbraw/zinc/09/87/66/199098766.db2.gz SFXKSZCVVVDZAG-UHFFFAOYSA-N 1 2 299.334 0.955 20 30 CCEDLO COC(=O)Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)nn1 ZINC000294591664 199098767 /nfs/dbraw/zinc/09/87/67/199098767.db2.gz SFXKSZCVVVDZAG-UHFFFAOYSA-N 1 2 299.334 0.955 20 30 CCEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C#N)o1 ZINC000561530517 291131542 /nfs/dbraw/zinc/13/15/42/291131542.db2.gz XBMBNGQMWCDQQA-UHFFFAOYSA-N 1 2 280.309 0.406 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccnc2N)CC1 ZINC000450220489 358254821 /nfs/dbraw/zinc/25/48/21/358254821.db2.gz ZOSHDYVBEXIQCX-UHFFFAOYSA-N 1 2 289.383 0.084 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccnc2N)CC1 ZINC000450220489 358254825 /nfs/dbraw/zinc/25/48/25/358254825.db2.gz ZOSHDYVBEXIQCX-UHFFFAOYSA-N 1 2 289.383 0.084 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000491414103 358294691 /nfs/dbraw/zinc/29/46/91/358294691.db2.gz AZWWIMDUTMUDOF-UHFFFAOYSA-N 1 2 290.363 0.928 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000491414103 358294692 /nfs/dbraw/zinc/29/46/92/358294692.db2.gz AZWWIMDUTMUDOF-UHFFFAOYSA-N 1 2 290.363 0.928 20 30 CCEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000545172630 358549701 /nfs/dbraw/zinc/54/97/01/358549701.db2.gz NOKCJFWAVGTFDT-LBPRGKRZSA-N 1 2 292.339 0.522 20 30 CCEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000545172630 358549707 /nfs/dbraw/zinc/54/97/07/358549707.db2.gz NOKCJFWAVGTFDT-LBPRGKRZSA-N 1 2 292.339 0.522 20 30 CCEDLO Cn1c[nH+]cc1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000569068240 358729993 /nfs/dbraw/zinc/72/99/93/358729993.db2.gz QUZJQOUFXPAURQ-UHFFFAOYSA-N 1 2 254.293 0.990 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ncccc2O)CC1 ZINC000572253797 358928630 /nfs/dbraw/zinc/92/86/30/358928630.db2.gz BJZMBXVNJBSGHC-UHFFFAOYSA-N 1 2 260.297 0.345 20 30 CCEDLO N#CCCCCCC(=O)NCC[NH+]1CCOCC1 ZINC000588254002 359319900 /nfs/dbraw/zinc/31/99/00/359319900.db2.gz GIKNJLIFUILUTR-UHFFFAOYSA-N 1 2 253.346 0.909 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000611003858 363646771 /nfs/dbraw/zinc/64/67/71/363646771.db2.gz QPIZURQRODWZAV-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000611003858 363646773 /nfs/dbraw/zinc/64/67/73/363646773.db2.gz QPIZURQRODWZAV-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CCN1CC[NH+](CCC(=O)Nc2n[nH]c(C)c2C#N)CC1 ZINC000588718345 359334064 /nfs/dbraw/zinc/33/40/64/359334064.db2.gz REFJDJLUZOKLCO-UHFFFAOYSA-N 1 2 290.371 0.556 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000588963607 359352448 /nfs/dbraw/zinc/35/24/48/359352448.db2.gz CIGGVSZTKYYNFM-CYBMUJFWSA-N 1 2 279.388 0.177 20 30 CCEDLO N#Cc1cncnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000591924443 359702379 /nfs/dbraw/zinc/70/23/79/359702379.db2.gz NMKIHGKKDZMBEP-LBPRGKRZSA-N 1 2 266.308 0.856 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000591976421 359717421 /nfs/dbraw/zinc/71/74/21/359717421.db2.gz OFKQCYPYKWAHFE-CQSZACIVSA-N 1 2 273.340 0.932 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000591976421 359717428 /nfs/dbraw/zinc/71/74/28/359717428.db2.gz OFKQCYPYKWAHFE-CQSZACIVSA-N 1 2 273.340 0.932 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592153196 359772261 /nfs/dbraw/zinc/77/22/61/359772261.db2.gz KLRIAEDGRPBGPT-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592153196 359772267 /nfs/dbraw/zinc/77/22/67/359772267.db2.gz KLRIAEDGRPBGPT-CQSZACIVSA-N 1 2 275.308 0.719 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCC#N)CC2(CCCC2)O1 ZINC000592189884 359780627 /nfs/dbraw/zinc/78/06/27/359780627.db2.gz YVUBEQBHJKEGGL-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCC#N)CC2(CCCC2)O1 ZINC000592189884 359780630 /nfs/dbraw/zinc/78/06/30/359780630.db2.gz YVUBEQBHJKEGGL-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147201 359765863 /nfs/dbraw/zinc/76/58/63/359765863.db2.gz JINANVUQYZCLLP-KGLIPLIRSA-N 1 2 278.356 0.391 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147201 359765869 /nfs/dbraw/zinc/76/58/69/359765869.db2.gz JINANVUQYZCLLP-KGLIPLIRSA-N 1 2 278.356 0.391 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592146922 359766350 /nfs/dbraw/zinc/76/63/50/359766350.db2.gz GXWBPVZBVIWUBI-ZIAGYGMSSA-N 1 2 276.340 0.145 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592146922 359766352 /nfs/dbraw/zinc/76/63/52/359766352.db2.gz GXWBPVZBVIWUBI-ZIAGYGMSSA-N 1 2 276.340 0.145 20 30 CCEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174543 363670448 /nfs/dbraw/zinc/67/04/48/363670448.db2.gz GZUGQDOZNPOTLS-GFCCVEGCSA-N 1 2 252.362 0.432 20 30 CCEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175957 363672493 /nfs/dbraw/zinc/67/24/93/363672493.db2.gz PJFLXQSPRCNCOY-ZDUSSCGKSA-N 1 2 266.389 0.775 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191138 363677642 /nfs/dbraw/zinc/67/76/42/363677642.db2.gz QOAMFOLNKHVPPZ-CYBMUJFWSA-N 1 2 263.345 0.896 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+](C3CC3)C3COC3)cnc12 ZINC000592514442 359867785 /nfs/dbraw/zinc/86/77/85/359867785.db2.gz LXAPDPNPDUDUAC-UHFFFAOYSA-N 1 2 269.308 0.964 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+](C3CC3)C3COC3)cnc12 ZINC000592514442 359867791 /nfs/dbraw/zinc/86/77/91/359867791.db2.gz LXAPDPNPDUDUAC-UHFFFAOYSA-N 1 2 269.308 0.964 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297701672 200265198 /nfs/dbraw/zinc/26/51/98/200265198.db2.gz HQPKELKZYZOLRX-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000611194613 363678717 /nfs/dbraw/zinc/67/87/17/363678717.db2.gz AUPHQBFGKOGSIT-UHFFFAOYSA-N 1 2 270.336 0.725 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000611303548 363705041 /nfs/dbraw/zinc/70/50/41/363705041.db2.gz BSIHDFAOYBXUOC-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000611303548 363705047 /nfs/dbraw/zinc/70/50/47/363705047.db2.gz BSIHDFAOYBXUOC-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCn1nc(C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154463 360048866 /nfs/dbraw/zinc/04/88/66/360048866.db2.gz KOEQYCPHYVHXIW-ZDUSSCGKSA-N 1 2 263.345 0.785 20 30 CCEDLO COc1ccnc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593153129 360047532 /nfs/dbraw/zinc/04/75/32/360047532.db2.gz AWMYZKUZNMLKDD-CYBMUJFWSA-N 1 2 262.313 0.664 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000593921260 360216436 /nfs/dbraw/zinc/21/64/36/360216436.db2.gz TYQPIKVUCPDICL-NSHDSACASA-N 1 2 284.319 0.354 20 30 CCEDLO CNc1cc2c(nn1)CC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000593958403 360222799 /nfs/dbraw/zinc/22/27/99/360222799.db2.gz VLAJEQHYAYSPHK-UHFFFAOYSA-N 1 2 280.335 0.765 20 30 CCEDLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000593958403 360222803 /nfs/dbraw/zinc/22/28/03/360222803.db2.gz VLAJEQHYAYSPHK-UHFFFAOYSA-N 1 2 280.335 0.765 20 30 CCEDLO N#Cc1ccc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c(F)c1 ZINC000594649232 360348371 /nfs/dbraw/zinc/34/83/71/360348371.db2.gz HKPSUVSAGASWQZ-AWEZNQCLSA-N 1 2 287.298 0.998 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(=O)(=O)CCCC#N ZINC000594816953 360388569 /nfs/dbraw/zinc/38/85/69/360388569.db2.gz MVXCEOHXPWBBFE-NEPJUHHUSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(=O)(=O)CCCC#N ZINC000594816953 360388573 /nfs/dbraw/zinc/38/85/73/360388573.db2.gz MVXCEOHXPWBBFE-NEPJUHHUSA-N 1 2 289.401 0.319 20 30 CCEDLO C=CCN(Cc1cn(C)c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000684836540 545747233 /nfs/dbraw/zinc/74/72/33/545747233.db2.gz YHNGGMQEYCDTPI-GFCCVEGCSA-N 1 2 269.370 0.595 20 30 CCEDLO N#CCC1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000595592898 360591207 /nfs/dbraw/zinc/59/12/07/360591207.db2.gz JXXKIKKECKODHW-CYBMUJFWSA-N 1 2 292.383 0.796 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618368 360599514 /nfs/dbraw/zinc/59/95/14/360599514.db2.gz OGVPZRWZTBGQTB-AWEZNQCLSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618368 360599522 /nfs/dbraw/zinc/59/95/22/360599522.db2.gz OGVPZRWZTBGQTB-AWEZNQCLSA-N 1 2 281.356 0.499 20 30 CCEDLO C[C@]1(C#N)CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000595844381 360678129 /nfs/dbraw/zinc/67/81/29/360678129.db2.gz SHSGXAYZDPDHDM-LLVKDONJSA-N 1 2 257.359 0.257 20 30 CCEDLO C[C@]1(C#N)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000595844381 360678131 /nfs/dbraw/zinc/67/81/31/360678131.db2.gz SHSGXAYZDPDHDM-LLVKDONJSA-N 1 2 257.359 0.257 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850807 360679656 /nfs/dbraw/zinc/67/96/56/360679656.db2.gz PIZGXWYKRYQCJL-NWDGAFQWSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850807 360679658 /nfs/dbraw/zinc/67/96/58/360679658.db2.gz PIZGXWYKRYQCJL-NWDGAFQWSA-N 1 2 268.357 0.951 20 30 CCEDLO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C#N ZINC000595813478 360664998 /nfs/dbraw/zinc/66/49/98/360664998.db2.gz NEGCOKLJHDVQCE-GXSJLCMTSA-N 1 2 267.289 0.386 20 30 CCEDLO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C#N ZINC000595813478 360665002 /nfs/dbraw/zinc/66/50/02/360665002.db2.gz NEGCOKLJHDVQCE-GXSJLCMTSA-N 1 2 267.289 0.386 20 30 CCEDLO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595814101 360665246 /nfs/dbraw/zinc/66/52/46/360665246.db2.gz QPDOWJOIGJKUFS-RYUDHWBXSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C#N ZINC000595814101 360665253 /nfs/dbraw/zinc/66/52/53/360665253.db2.gz QPDOWJOIGJKUFS-RYUDHWBXSA-N 1 2 273.402 0.892 20 30 CCEDLO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843739 360676554 /nfs/dbraw/zinc/67/65/54/360676554.db2.gz NAHGVSQBLGLIDP-NSHDSACASA-N 1 2 259.375 0.551 20 30 CCEDLO CCS(=O)(=O)NCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843739 360676559 /nfs/dbraw/zinc/67/65/59/360676559.db2.gz NAHGVSQBLGLIDP-NSHDSACASA-N 1 2 259.375 0.551 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000596112892 360798863 /nfs/dbraw/zinc/79/88/63/360798863.db2.gz IEFRMIYLCSFDSX-NSHDSACASA-N 1 2 275.356 0.465 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000596112892 360798869 /nfs/dbraw/zinc/79/88/69/360798869.db2.gz IEFRMIYLCSFDSX-NSHDSACASA-N 1 2 275.356 0.465 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cncc(C#N)n2)[C@@H](C)CO1 ZINC000596432134 360893035 /nfs/dbraw/zinc/89/30/35/360893035.db2.gz QNFKHNKJEMFXLE-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cncc(C#N)n2)[C@@H](C)CO1 ZINC000596432134 360893038 /nfs/dbraw/zinc/89/30/38/360893038.db2.gz QNFKHNKJEMFXLE-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1C#N ZINC000596622044 360930008 /nfs/dbraw/zinc/93/00/08/360930008.db2.gz UFUMHUKMJPHJHS-OLZOCXBDSA-N 1 2 259.309 0.287 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1C#N ZINC000596622044 360930011 /nfs/dbraw/zinc/93/00/11/360930011.db2.gz UFUMHUKMJPHJHS-OLZOCXBDSA-N 1 2 259.309 0.287 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000563716448 291248612 /nfs/dbraw/zinc/24/86/12/291248612.db2.gz VNEVILIQXHNJQN-GFCCVEGCSA-N 1 2 298.343 0.275 20 30 CCEDLO CCn1cc(C#N)c(=O)n(CCCn2cc[nH+]c2)c1=O ZINC000180434369 189255122 /nfs/dbraw/zinc/25/51/22/189255122.db2.gz SAHYFJPSKDIBHJ-UHFFFAOYSA-N 1 2 273.296 0.188 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597676930 361188547 /nfs/dbraw/zinc/18/85/47/361188547.db2.gz CYTPTQGLVUMWTG-STQMWFEESA-N 1 2 297.424 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622662 361165564 /nfs/dbraw/zinc/16/55/64/361165564.db2.gz ZDJMTNKFBBMQJA-SNVBAGLBSA-N 1 2 277.328 0.831 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993512 361301835 /nfs/dbraw/zinc/30/18/35/361301835.db2.gz GDZOAEWUPCZMHV-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993512 361301842 /nfs/dbraw/zinc/30/18/42/361301842.db2.gz GDZOAEWUPCZMHV-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000597998673 361305712 /nfs/dbraw/zinc/30/57/12/361305712.db2.gz PYUXSSIRONEHTH-STQMWFEESA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000597998673 361305719 /nfs/dbraw/zinc/30/57/19/361305719.db2.gz PYUXSSIRONEHTH-STQMWFEESA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000597998671 361306211 /nfs/dbraw/zinc/30/62/11/361306211.db2.gz PYUXSSIRONEHTH-OLZOCXBDSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000597998671 361306214 /nfs/dbraw/zinc/30/62/14/361306214.db2.gz PYUXSSIRONEHTH-OLZOCXBDSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)C#N ZINC000597999938 361306367 /nfs/dbraw/zinc/30/63/67/361306367.db2.gz TUOQKHDVOZJQTF-MNOVXSKESA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)C#N ZINC000597999938 361306370 /nfs/dbraw/zinc/30/63/70/361306370.db2.gz TUOQKHDVOZJQTF-MNOVXSKESA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)n2C)[C@@H](C)CO1 ZINC000598000678 361306830 /nfs/dbraw/zinc/30/68/30/361306830.db2.gz ZCRFXXOPXOLYSJ-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)n2C)[C@@H](C)CO1 ZINC000598000678 361306837 /nfs/dbraw/zinc/30/68/37/361306837.db2.gz ZCRFXXOPXOLYSJ-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO N#Cc1ccc(OCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598943597 361536143 /nfs/dbraw/zinc/53/61/43/361536143.db2.gz TWXDWIRKQCDMTO-GFCCVEGCSA-N 1 2 282.303 0.875 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599258029 361622145 /nfs/dbraw/zinc/62/21/45/361622145.db2.gz DLJNBBYRTUNWAE-GFCCVEGCSA-N 1 2 278.308 0.403 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599258029 361622152 /nfs/dbraw/zinc/62/21/52/361622152.db2.gz DLJNBBYRTUNWAE-GFCCVEGCSA-N 1 2 278.308 0.403 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000599356277 361665298 /nfs/dbraw/zinc/66/52/98/361665298.db2.gz KUEPDXKXOFXEJD-SECBINFHSA-N 1 2 271.346 0.226 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000599356277 361665303 /nfs/dbraw/zinc/66/53/03/361665303.db2.gz KUEPDXKXOFXEJD-SECBINFHSA-N 1 2 271.346 0.226 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599377114 361674153 /nfs/dbraw/zinc/67/41/53/361674153.db2.gz HLYINZMOAHQXSU-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599377114 361674154 /nfs/dbraw/zinc/67/41/54/361674154.db2.gz HLYINZMOAHQXSU-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167688 363859236 /nfs/dbraw/zinc/85/92/36/363859236.db2.gz UPEDBIBCCPFROV-SKDRFNHKSA-N 1 2 252.318 0.456 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167688 363859239 /nfs/dbraw/zinc/85/92/39/363859239.db2.gz UPEDBIBCCPFROV-SKDRFNHKSA-N 1 2 252.318 0.456 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614662274 364696081 /nfs/dbraw/zinc/69/60/81/364696081.db2.gz YKWAAMRKMHRPSK-NHYWBVRUSA-N 1 2 293.367 0.094 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614662386 364696471 /nfs/dbraw/zinc/69/64/71/364696471.db2.gz BDBKXMRRARIPJL-GFCCVEGCSA-N 1 2 294.355 0.600 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614662386 364696474 /nfs/dbraw/zinc/69/64/74/364696474.db2.gz BDBKXMRRARIPJL-GFCCVEGCSA-N 1 2 294.355 0.600 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920397 364782536 /nfs/dbraw/zinc/78/25/36/364782536.db2.gz HYTGYASZRNFKDW-ZDUSSCGKSA-N 1 2 296.415 0.135 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920397 364782540 /nfs/dbraw/zinc/78/25/40/364782540.db2.gz HYTGYASZRNFKDW-ZDUSSCGKSA-N 1 2 296.415 0.135 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615847656 365105828 /nfs/dbraw/zinc/10/58/28/365105828.db2.gz BNKPZOYWCRHKMR-NDMJEZRESA-N 1 2 261.325 0.974 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615847656 365105837 /nfs/dbraw/zinc/10/58/37/365105837.db2.gz BNKPZOYWCRHKMR-NDMJEZRESA-N 1 2 261.325 0.974 20 30 CCEDLO C=C1CC(C)(C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000631986035 370811293 /nfs/dbraw/zinc/81/12/93/370811293.db2.gz NBHQLIUJUSSNCO-UHFFFAOYSA-N 1 2 282.384 0.496 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)nn1 ZINC000623721021 367634884 /nfs/dbraw/zinc/63/48/84/367634884.db2.gz FSFVGNSEXONPCD-ZYHUDNBSSA-N 1 2 284.385 0.519 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626449078 368548197 /nfs/dbraw/zinc/54/81/97/368548197.db2.gz VSIVRQQESAJKGC-VXGBXAGGSA-N 1 2 263.341 0.807 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1F ZINC000330624346 203053519 /nfs/dbraw/zinc/05/35/19/203053519.db2.gz GBFPKJKVPFMNFP-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1F ZINC000330624346 203053521 /nfs/dbraw/zinc/05/35/21/203053521.db2.gz GBFPKJKVPFMNFP-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO Cc1onc(CC(=O)N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000330751229 203189268 /nfs/dbraw/zinc/18/92/68/203189268.db2.gz ZCEFUINDSGHMOC-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@]1(CO)CCOC1 ZINC000330823375 203280119 /nfs/dbraw/zinc/28/01/19/203280119.db2.gz UZVSHKNFSPIXOD-ZDUSSCGKSA-N 1 2 295.364 0.641 20 30 CCEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@]1(CO)CCOC1 ZINC000330823375 203280121 /nfs/dbraw/zinc/28/01/21/203280121.db2.gz UZVSHKNFSPIXOD-ZDUSSCGKSA-N 1 2 295.364 0.641 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000331335660 203732371 /nfs/dbraw/zinc/73/23/71/203732371.db2.gz ITKBOVPLJYKLDH-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000302913221 261263018 /nfs/dbraw/zinc/26/30/18/261263018.db2.gz SQXMGWPCSJGLPT-SWLSCSKDSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000302913221 261263020 /nfs/dbraw/zinc/26/30/20/261263020.db2.gz SQXMGWPCSJGLPT-SWLSCSKDSA-N 1 2 294.399 0.593 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2ccccc2CO)nn1 ZINC000656454631 412802645 /nfs/dbraw/zinc/80/26/45/412802645.db2.gz GUIFJACSICDHKT-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccon1 ZINC000574445130 335019563 /nfs/dbraw/zinc/01/95/63/335019563.db2.gz QSTSLNCHCJCDBQ-WDEREUQCSA-N 1 2 252.318 0.532 20 30 CCEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccon1 ZINC000574445130 335019564 /nfs/dbraw/zinc/01/95/64/335019564.db2.gz QSTSLNCHCJCDBQ-WDEREUQCSA-N 1 2 252.318 0.532 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639912493 376125475 /nfs/dbraw/zinc/12/54/75/376125475.db2.gz NURQOXCFUPEJLS-ZDUSSCGKSA-N 1 2 263.341 0.918 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639912493 376125477 /nfs/dbraw/zinc/12/54/77/376125477.db2.gz NURQOXCFUPEJLS-ZDUSSCGKSA-N 1 2 263.341 0.918 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160141 376259786 /nfs/dbraw/zinc/25/97/86/376259786.db2.gz CZUTXHXJVURREA-CYBMUJFWSA-N 1 2 296.392 0.629 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160141 376259788 /nfs/dbraw/zinc/25/97/88/376259788.db2.gz CZUTXHXJVURREA-CYBMUJFWSA-N 1 2 296.392 0.629 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000685003897 545784037 /nfs/dbraw/zinc/78/40/37/545784037.db2.gz RBJKOYUFASPTBT-CHWSQXEVSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000685003897 545784038 /nfs/dbraw/zinc/78/40/38/545784038.db2.gz RBJKOYUFASPTBT-CHWSQXEVSA-N 1 2 251.374 0.799 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C(C)=O)no2)nn1 ZINC000641151318 376815029 /nfs/dbraw/zinc/81/50/29/376815029.db2.gz BAKTVNQXOMBQEH-UHFFFAOYSA-N 1 2 273.296 0.630 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@H]2CC2(F)F)nn1 ZINC000641183250 376855352 /nfs/dbraw/zinc/85/53/52/376855352.db2.gz DOQQITXYOQKWAI-NSHDSACASA-N 1 2 270.283 0.815 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)C(F)(F)F)nn1 ZINC000641222159 376910233 /nfs/dbraw/zinc/91/02/33/376910233.db2.gz BVKLPUJYXFJHCE-JTQLQIEISA-N 1 2 276.262 0.704 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000685002468 545784883 /nfs/dbraw/zinc/78/48/83/545784883.db2.gz RSHUCOZOVSUNIH-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000685002468 545784888 /nfs/dbraw/zinc/78/48/88/545784888.db2.gz RSHUCOZOVSUNIH-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641474720 377156315 /nfs/dbraw/zinc/15/63/15/377156315.db2.gz VALQDHDMIVCSMX-QWHCGFSZSA-N 1 2 299.396 0.784 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000516867816 249184311 /nfs/dbraw/zinc/18/43/11/249184311.db2.gz UBZUYZPSTBIHBR-UHFFFAOYSA-N 1 2 286.339 0.557 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000516867816 249184312 /nfs/dbraw/zinc/18/43/12/249184312.db2.gz UBZUYZPSTBIHBR-UHFFFAOYSA-N 1 2 286.339 0.557 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)Cn2cc[nH+]c2)n1 ZINC000279086485 194277820 /nfs/dbraw/zinc/27/78/20/194277820.db2.gz HWRPPBGEFFYENK-UHFFFAOYSA-N 1 2 271.324 0.762 20 30 CCEDLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000280853919 195002701 /nfs/dbraw/zinc/00/27/01/195002701.db2.gz YGNDIXPZJDIBNY-WCQYABFASA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000280853919 195002702 /nfs/dbraw/zinc/00/27/02/195002702.db2.gz YGNDIXPZJDIBNY-WCQYABFASA-N 1 2 292.335 0.791 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)nn1 ZINC000657360294 412972109 /nfs/dbraw/zinc/97/21/09/412972109.db2.gz BADRHLWVSBKDHG-LLVKDONJSA-N 1 2 286.401 0.767 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)o1 ZINC000288303305 197047101 /nfs/dbraw/zinc/04/71/01/197047101.db2.gz VXUBZURFZUMAOJ-NSHDSACASA-N 1 2 293.348 0.786 20 30 CCEDLO Cn1nc(Br)c2c1nc[nH+]c2NCC#CCO ZINC000285772152 388797398 /nfs/dbraw/zinc/79/73/98/388797398.db2.gz WFCYSVBFYXFTPZ-UHFFFAOYSA-N 1 2 296.128 0.533 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024950306 388810954 /nfs/dbraw/zinc/81/09/54/388810954.db2.gz VCTSXWTVVOYKQC-OUAUKWLOSA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024950306 388810959 /nfs/dbraw/zinc/81/09/59/388810959.db2.gz VCTSXWTVVOYKQC-OUAUKWLOSA-N 1 2 269.345 0.496 20 30 CCEDLO CC#CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000283094866 388762507 /nfs/dbraw/zinc/76/25/07/388762507.db2.gz GCJSNJUWPVHTLG-UHFFFAOYSA-N 1 2 262.313 0.177 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284136238 388773616 /nfs/dbraw/zinc/77/36/16/388773616.db2.gz YENPPWQMJFQYKI-JTQLQIEISA-N 1 2 250.302 0.032 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccoc2)CC1 ZINC000285098302 388788348 /nfs/dbraw/zinc/78/83/48/388788348.db2.gz HBJHBQJFKFSZBL-UHFFFAOYSA-N 1 2 268.338 0.609 20 30 CCEDLO N#Cc1ccnc(NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000286092552 388834341 /nfs/dbraw/zinc/83/43/41/388834341.db2.gz DPJHVVVRNJNQAO-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ccnc(NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000286092552 388834343 /nfs/dbraw/zinc/83/43/43/388834343.db2.gz DPJHVVVRNJNQAO-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO CCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289670364 388881047 /nfs/dbraw/zinc/88/10/47/388881047.db2.gz DEPGPPHSRMGPLN-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO CCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289670364 388881050 /nfs/dbraw/zinc/88/10/50/388881050.db2.gz DEPGPPHSRMGPLN-UHFFFAOYSA-N 1 2 297.380 0.695 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@]1(C)CCC ZINC000187349763 388877971 /nfs/dbraw/zinc/87/79/71/388877971.db2.gz MJCGYEOTJBCNAE-ZDUSSCGKSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@]1(C)CCC ZINC000187349763 388877975 /nfs/dbraw/zinc/87/79/75/388877975.db2.gz MJCGYEOTJBCNAE-ZDUSSCGKSA-N 1 2 253.346 0.279 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000290932011 388914192 /nfs/dbraw/zinc/91/41/92/388914192.db2.gz VHNIIJFCWXXFOL-RISCZKNCSA-N 1 2 297.424 0.949 20 30 CCEDLO C#CCONC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000291375142 388922373 /nfs/dbraw/zinc/92/23/73/388922373.db2.gz ZTISPLYMAQCUTB-HNNXBMFYSA-N 1 2 288.347 0.959 20 30 CCEDLO C#CCONC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000291375142 388922376 /nfs/dbraw/zinc/92/23/76/388922376.db2.gz ZTISPLYMAQCUTB-HNNXBMFYSA-N 1 2 288.347 0.959 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000076185978 388986466 /nfs/dbraw/zinc/98/64/66/388986466.db2.gz CNZQSYIAABEMHL-SNVBAGLBSA-N 1 2 258.243 0.718 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000192223267 389028023 /nfs/dbraw/zinc/02/80/23/389028023.db2.gz KOLSLNPVGVLJLL-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000192223267 389028027 /nfs/dbraw/zinc/02/80/27/389028027.db2.gz KOLSLNPVGVLJLL-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#CCOCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000302168488 389064107 /nfs/dbraw/zinc/06/41/07/389064107.db2.gz PKPAGXDHWMCUFX-UHFFFAOYSA-N 1 2 258.285 0.306 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193769691 389079525 /nfs/dbraw/zinc/07/95/25/389079525.db2.gz YGBXQBKETNDESH-ZDUSSCGKSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193769691 389079529 /nfs/dbraw/zinc/07/95/29/389079529.db2.gz YGBXQBKETNDESH-ZDUSSCGKSA-N 1 2 295.383 0.048 20 30 CCEDLO N#CC[N@@H+](CCCOC(=O)NC(N)=O)C1CCCC1 ZINC000093175167 389035301 /nfs/dbraw/zinc/03/53/01/389035301.db2.gz FOSZVXJNSWVCMT-UHFFFAOYSA-N 1 2 268.317 0.950 20 30 CCEDLO N#CC[N@H+](CCCOC(=O)NC(N)=O)C1CCCC1 ZINC000093175167 389035303 /nfs/dbraw/zinc/03/53/03/389035303.db2.gz FOSZVXJNSWVCMT-UHFFFAOYSA-N 1 2 268.317 0.950 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000337046151 389038632 /nfs/dbraw/zinc/03/86/32/389038632.db2.gz PCOCWICPBPYBFK-NSHDSACASA-N 1 2 272.308 0.934 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355118850 389042232 /nfs/dbraw/zinc/04/22/32/389042232.db2.gz BYEHNPVLRICZFP-DGCLKSJQSA-N 1 2 275.356 0.966 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355118850 389042237 /nfs/dbraw/zinc/04/22/37/389042237.db2.gz BYEHNPVLRICZFP-DGCLKSJQSA-N 1 2 275.356 0.966 20 30 CCEDLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000328917270 389144597 /nfs/dbraw/zinc/14/45/97/389144597.db2.gz RRTSCXKUVPBNIA-SNVBAGLBSA-N 1 2 266.349 0.931 20 30 CCEDLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000328917270 389144599 /nfs/dbraw/zinc/14/45/99/389144599.db2.gz RRTSCXKUVPBNIA-SNVBAGLBSA-N 1 2 266.349 0.931 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCCC2)cs1 ZINC000121053287 389145997 /nfs/dbraw/zinc/14/59/97/389145997.db2.gz UDHWFDBKMRCESY-UHFFFAOYSA-N 1 2 282.369 0.905 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1=O ZINC000328952915 389147252 /nfs/dbraw/zinc/14/72/52/389147252.db2.gz ICPDUQQCLPXIIL-BYNSBNAKSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1=O ZINC000328952915 389147254 /nfs/dbraw/zinc/14/72/54/389147254.db2.gz ICPDUQQCLPXIIL-BYNSBNAKSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)C1=O ZINC000328952916 389147314 /nfs/dbraw/zinc/14/73/14/389147314.db2.gz ICPDUQQCLPXIIL-LXTVHRRPSA-N 1 2 294.395 0.635 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)C1=O ZINC000328952916 389147316 /nfs/dbraw/zinc/14/73/16/389147316.db2.gz ICPDUQQCLPXIIL-LXTVHRRPSA-N 1 2 294.395 0.635 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338591393 389113165 /nfs/dbraw/zinc/11/31/65/389113165.db2.gz VAMHZYNDQIODAE-ZDUSSCGKSA-N 1 2 258.337 0.817 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338591393 389113169 /nfs/dbraw/zinc/11/31/69/389113169.db2.gz VAMHZYNDQIODAE-ZDUSSCGKSA-N 1 2 258.337 0.817 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(F)cc1F ZINC000121370740 389148452 /nfs/dbraw/zinc/14/84/52/389148452.db2.gz JUHIZNSHYVCEOK-SSDOTTSWSA-N 1 2 287.266 0.963 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000338909882 389118460 /nfs/dbraw/zinc/11/84/60/389118460.db2.gz WNJWESBJEXQGFB-ZDUSSCGKSA-N 1 2 281.356 0.240 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCOCCC#N)CC1 ZINC000338884648 389118764 /nfs/dbraw/zinc/11/87/64/389118764.db2.gz YCWLJZMSPWFTEA-ZDUSSCGKSA-N 1 2 294.399 0.201 20 30 CCEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000338942562 389119847 /nfs/dbraw/zinc/11/98/47/389119847.db2.gz MMINRBGBNKPRMW-UHFFFAOYSA-N 1 2 262.375 0.156 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCOCCC#N ZINC000339078357 389123781 /nfs/dbraw/zinc/12/37/81/389123781.db2.gz UNZHCBXWRQFDPZ-RYUDHWBXSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCOCCC#N ZINC000339078357 389123784 /nfs/dbraw/zinc/12/37/84/389123784.db2.gz UNZHCBXWRQFDPZ-RYUDHWBXSA-N 1 2 270.329 0.569 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000328673075 389131421 /nfs/dbraw/zinc/13/14/21/389131421.db2.gz ISDQYJYKLFCOEX-JTQLQIEISA-N 1 2 291.311 0.070 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000328673075 389131423 /nfs/dbraw/zinc/13/14/23/389131423.db2.gz ISDQYJYKLFCOEX-JTQLQIEISA-N 1 2 291.311 0.070 20 30 CCEDLO O=C(NCC[NH+]1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000328733239 389134788 /nfs/dbraw/zinc/13/47/88/389134788.db2.gz XYNUETAGQOHYJR-NSHDSACASA-N 1 2 263.345 0.996 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(O)c3)C[C@@H]21 ZINC000329633325 389179910 /nfs/dbraw/zinc/17/99/10/389179910.db2.gz WPZLVOJDJLXROV-UONOGXRCSA-N 1 2 291.351 0.821 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(O)c3)C[C@@H]21 ZINC000329633325 389179914 /nfs/dbraw/zinc/17/99/14/389179914.db2.gz WPZLVOJDJLXROV-UONOGXRCSA-N 1 2 291.351 0.821 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCn2c[nH+]cc2C1 ZINC000329671078 389185587 /nfs/dbraw/zinc/18/55/87/389185587.db2.gz RYRIIUFNTWBFSH-NSHDSACASA-N 1 2 286.339 0.893 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CCCC1=O ZINC000329394065 389161259 /nfs/dbraw/zinc/16/12/59/389161259.db2.gz STLQAXBBRPRAKS-NSHDSACASA-N 1 2 297.355 0.203 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCN1C(=O)CCCC1=O ZINC000329394065 389161261 /nfs/dbraw/zinc/16/12/61/389161261.db2.gz STLQAXBBRPRAKS-NSHDSACASA-N 1 2 297.355 0.203 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000124646474 389161829 /nfs/dbraw/zinc/16/18/29/389161829.db2.gz POJYCIHGXIFAGM-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCCCC[C@H]2O)C1 ZINC000329454913 389164767 /nfs/dbraw/zinc/16/47/67/389164767.db2.gz PQYDLDRFQSBLTR-MGPQQGTHSA-N 1 2 298.431 0.429 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCCCC[C@H]2O)C1 ZINC000329454913 389164770 /nfs/dbraw/zinc/16/47/70/389164770.db2.gz PQYDLDRFQSBLTR-MGPQQGTHSA-N 1 2 298.431 0.429 20 30 CCEDLO N#CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359042563 389166262 /nfs/dbraw/zinc/16/62/62/389166262.db2.gz MQIJHKVRUVPPLR-LBPRGKRZSA-N 1 2 266.345 0.406 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000359087032 389166929 /nfs/dbraw/zinc/16/69/29/389166929.db2.gz ILSGYJPNMYAEIU-KGLIPLIRSA-N 1 2 283.416 0.720 20 30 CCEDLO CC#CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359143506 389167623 /nfs/dbraw/zinc/16/76/23/389167623.db2.gz GORSBEYAGJBAKP-AWEZNQCLSA-N 1 2 279.384 0.906 20 30 CCEDLO C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000329513825 389168069 /nfs/dbraw/zinc/16/80/69/389168069.db2.gz YCUBLUBWWZPVEX-GFCCVEGCSA-N 1 2 283.372 0.486 20 30 CCEDLO CN1CC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000329601841 389175160 /nfs/dbraw/zinc/17/51/60/389175160.db2.gz KTZJXCFFYXABMV-WPRPVWTQSA-N 1 2 277.328 0.001 20 30 CCEDLO CN1CC[C@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000329601841 389175161 /nfs/dbraw/zinc/17/51/61/389175161.db2.gz KTZJXCFFYXABMV-WPRPVWTQSA-N 1 2 277.328 0.001 20 30 CCEDLO CNC(=O)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329838295 389205267 /nfs/dbraw/zinc/20/52/67/389205267.db2.gz NIRWLKARIYZHGZ-VIFPVBQESA-N 1 2 262.313 0.490 20 30 CCEDLO Cc1ncncc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330624095 389247044 /nfs/dbraw/zinc/24/70/44/389247044.db2.gz QRBRVWAVDVUIBG-JTQLQIEISA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1ncncc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330624095 389247048 /nfs/dbraw/zinc/24/70/48/389247048.db2.gz QRBRVWAVDVUIBG-JTQLQIEISA-N 1 2 264.329 0.810 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C#N)CC ZINC000248638916 389247839 /nfs/dbraw/zinc/24/78/39/389247839.db2.gz MKZSGIMOAFUROJ-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C#N)CC ZINC000248638916 389247842 /nfs/dbraw/zinc/24/78/42/389247842.db2.gz MKZSGIMOAFUROJ-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ncccc1O ZINC000330625965 389248199 /nfs/dbraw/zinc/24/81/99/389248199.db2.gz UNIBFTVWDCQFJC-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ncccc1O ZINC000330625965 389248201 /nfs/dbraw/zinc/24/82/01/389248201.db2.gz UNIBFTVWDCQFJC-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C#N)CC1 ZINC000330668316 389251137 /nfs/dbraw/zinc/25/11/37/389251137.db2.gz XWOTYOSVUWKWRP-UHFFFAOYSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C#N)CC1 ZINC000330668316 389251139 /nfs/dbraw/zinc/25/11/39/389251139.db2.gz XWOTYOSVUWKWRP-UHFFFAOYSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCNC(=O)CN1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342796303 389253005 /nfs/dbraw/zinc/25/30/05/389253005.db2.gz JZQHJJQQLPPCLW-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000342981903 389256034 /nfs/dbraw/zinc/25/60/34/389256034.db2.gz VBESEXMGXXUYOY-NSHDSACASA-N 1 2 278.356 0.897 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1cccc(Cl)c1 ZINC000136074178 389264049 /nfs/dbraw/zinc/26/40/49/389264049.db2.gz ZTJATXWAGSVGCG-UHFFFAOYSA-N 1 2 285.731 0.627 20 30 CCEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)CCO)c1C ZINC000136068300 389264215 /nfs/dbraw/zinc/26/42/15/389264215.db2.gz OLOBBBHOFKHWBT-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)NCC#N)CC1 ZINC000330467947 389233024 /nfs/dbraw/zinc/23/30/24/389233024.db2.gz AQKOYPVQOOSQEP-UHFFFAOYSA-N 1 2 273.340 0.152 20 30 CCEDLO N#Cc1c(F)cccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154242901 389311125 /nfs/dbraw/zinc/31/11/25/389311125.db2.gz JKRBCGPLNFRQSG-NSHDSACASA-N 1 2 280.299 0.769 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCOCC(F)F)CC1 ZINC000345860178 389316901 /nfs/dbraw/zinc/31/69/01/389316901.db2.gz RIKVOEAKSFJUSL-UHFFFAOYSA-N 1 2 291.342 0.188 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)OC ZINC000155323683 389318786 /nfs/dbraw/zinc/31/87/86/389318786.db2.gz KWXSAAVXTHDRSU-ZJUUUORDSA-N 1 2 255.318 0.146 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)OC ZINC000155323683 389318789 /nfs/dbraw/zinc/31/87/89/389318789.db2.gz KWXSAAVXTHDRSU-ZJUUUORDSA-N 1 2 255.318 0.146 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000366082004 389292100 /nfs/dbraw/zinc/29/21/00/389292100.db2.gz AGIQXKLVVYQHRN-OBJOEFQTSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000366082004 389292105 /nfs/dbraw/zinc/29/21/05/389292105.db2.gz AGIQXKLVVYQHRN-OBJOEFQTSA-N 1 2 268.357 0.557 20 30 CCEDLO Cc1cc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(C#N)c[nH+]1 ZINC000333462844 389413613 /nfs/dbraw/zinc/41/36/13/389413613.db2.gz MACMRCOSHXNIIM-AAEUAGOBSA-N 1 2 272.308 0.355 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000347017522 389345627 /nfs/dbraw/zinc/34/56/27/389345627.db2.gz DRKXOJRECOSVKK-XQQFMLRXSA-N 1 2 295.383 0.673 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000347017522 389345630 /nfs/dbraw/zinc/34/56/30/389345630.db2.gz DRKXOJRECOSVKK-XQQFMLRXSA-N 1 2 295.383 0.673 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000408465010 389355735 /nfs/dbraw/zinc/35/57/35/389355735.db2.gz HOHVHFQNJHXZHV-GVXVVHGQSA-N 1 2 265.382 0.985 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000408465010 389355738 /nfs/dbraw/zinc/35/57/38/389355738.db2.gz HOHVHFQNJHXZHV-GVXVVHGQSA-N 1 2 265.382 0.985 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H]2CCO[C@@H]2C)CC1 ZINC000163789746 389430016 /nfs/dbraw/zinc/43/00/16/389430016.db2.gz CDHDHOMXEZVCJY-OLZOCXBDSA-N 1 2 282.409 0.674 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271551387 389443970 /nfs/dbraw/zinc/44/39/70/389443970.db2.gz LNOLZIYSSLAJGP-CHWSQXEVSA-N 1 2 291.376 0.494 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271551387 389443973 /nfs/dbraw/zinc/44/39/73/389443973.db2.gz LNOLZIYSSLAJGP-CHWSQXEVSA-N 1 2 291.376 0.494 20 30 CCEDLO CC(C)OC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119876 389444568 /nfs/dbraw/zinc/44/45/68/389444568.db2.gz HOVONNVKNHHAKO-KBPBESRZSA-N 1 2 297.399 0.873 20 30 CCEDLO CC(C)OC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119876 389444571 /nfs/dbraw/zinc/44/45/71/389444571.db2.gz HOVONNVKNHHAKO-KBPBESRZSA-N 1 2 297.399 0.873 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)C(=O)OC)C1=O ZINC000281204276 389610976 /nfs/dbraw/zinc/61/09/76/389610976.db2.gz CSAOOQYSHYDWSU-MNOVXSKESA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)C(=O)OC)C1=O ZINC000281204276 389610978 /nfs/dbraw/zinc/61/09/78/389610978.db2.gz CSAOOQYSHYDWSU-MNOVXSKESA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)C(C)C)CC2)C1=O ZINC000281245071 389612004 /nfs/dbraw/zinc/61/20/04/389612004.db2.gz PXSOLIFPVDECTB-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]2(C)C(=O)OC)C1=O ZINC000281308570 389613027 /nfs/dbraw/zinc/61/30/27/389613027.db2.gz KKQTWDFZTWQHJQ-RISCZKNCSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]2(C)C(=O)OC)C1=O ZINC000281308570 389613030 /nfs/dbraw/zinc/61/30/30/389613030.db2.gz KKQTWDFZTWQHJQ-RISCZKNCSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC2CC2)C1=O ZINC000281384169 389615771 /nfs/dbraw/zinc/61/57/71/389615771.db2.gz PIXBDQOXLORNME-PWSUYJOCSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC2CC2)C1=O ZINC000281384169 389615777 /nfs/dbraw/zinc/61/57/77/389615777.db2.gz PIXBDQOXLORNME-PWSUYJOCSA-N 1 2 265.357 0.372 20 30 CCEDLO N#C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000177144938 389573992 /nfs/dbraw/zinc/57/39/92/389573992.db2.gz NVJOEPYGHFMWCQ-ZDUSSCGKSA-N 1 2 269.308 0.992 20 30 CCEDLO C=C1CC[NH+](CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000351492764 389592683 /nfs/dbraw/zinc/59/26/83/389592683.db2.gz SSOOSLOUKZQPKM-ZDUSSCGKSA-N 1 2 268.357 0.952 20 30 CCEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000496976346 262360938 /nfs/dbraw/zinc/36/09/38/262360938.db2.gz GHYWMKFWHVXSHD-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000496976346 262360939 /nfs/dbraw/zinc/36/09/39/262360939.db2.gz GHYWMKFWHVXSHD-NSHDSACASA-N 1 2 282.344 0.227 20 30 CCEDLO C[N@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000282009951 389646211 /nfs/dbraw/zinc/64/62/11/389646211.db2.gz XZSSTAIVCKKIMD-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO C[N@@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000282009951 389646217 /nfs/dbraw/zinc/64/62/17/389646217.db2.gz XZSSTAIVCKKIMD-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178307487 389602109 /nfs/dbraw/zinc/60/21/09/389602109.db2.gz QUDUKNDJDZCBIV-GJZGRUSLSA-N 1 2 284.363 0.757 20 30 CCEDLO C=C(Cl)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000281025978 389606807 /nfs/dbraw/zinc/60/68/07/389606807.db2.gz URUXICJVSNGOEN-SNVBAGLBSA-N 1 2 256.737 0.892 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428801352 389720278 /nfs/dbraw/zinc/72/02/78/389720278.db2.gz BJXAUAHNAHMPIR-GFCCVEGCSA-N 1 2 285.307 0.046 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428801352 389720279 /nfs/dbraw/zinc/72/02/79/389720279.db2.gz BJXAUAHNAHMPIR-GFCCVEGCSA-N 1 2 285.307 0.046 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375618890 389692717 /nfs/dbraw/zinc/69/27/17/389692717.db2.gz PVNKXGHPMFOWAK-STQMWFEESA-N 1 2 288.413 0.687 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181936306 389696287 /nfs/dbraw/zinc/69/62/87/389696287.db2.gz PPMDXALCFVPACX-UHFFFAOYSA-N 1 2 264.325 0.013 20 30 CCEDLO C#CCCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000376342322 389733828 /nfs/dbraw/zinc/73/38/28/389733828.db2.gz ALCRJCSSAXNNLV-ZDUSSCGKSA-N 1 2 293.392 0.993 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000352902385 389840586 /nfs/dbraw/zinc/84/05/86/389840586.db2.gz RSNSECPCANJYPJ-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000352902385 389840587 /nfs/dbraw/zinc/84/05/87/389840587.db2.gz RSNSECPCANJYPJ-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO COC(=O)C[C@@]1([NH2+]Cc2nc(C#N)cs2)CCOC1 ZINC000352931086 389842095 /nfs/dbraw/zinc/84/20/95/389842095.db2.gz DYLKXTFIXUXNNQ-LBPRGKRZSA-N 1 2 281.337 0.827 20 30 CCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000419359955 389892000 /nfs/dbraw/zinc/89/20/00/389892000.db2.gz RFMUDKXSZOIZLU-NSHDSACASA-N 1 2 279.340 0.434 20 30 CCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000419359955 389892001 /nfs/dbraw/zinc/89/20/01/389892001.db2.gz RFMUDKXSZOIZLU-NSHDSACASA-N 1 2 279.340 0.434 20 30 CCEDLO CCN1CCN(C(=O)[C@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433471560 389915537 /nfs/dbraw/zinc/91/55/37/389915537.db2.gz OXZOPPNLOCOZMZ-GHMZBOCLSA-N 1 2 261.329 0.775 20 30 CCEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCC#N ZINC000444789481 389918439 /nfs/dbraw/zinc/91/84/39/389918439.db2.gz FBVYBCRSEOLRDU-AWEZNQCLSA-N 1 2 281.356 0.824 20 30 CCEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCC#N ZINC000444789481 389918442 /nfs/dbraw/zinc/91/84/42/389918442.db2.gz FBVYBCRSEOLRDU-AWEZNQCLSA-N 1 2 281.356 0.824 20 30 CCEDLO CC#CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434331870 389929809 /nfs/dbraw/zinc/92/98/09/389929809.db2.gz CWPVXRGNWKNOHM-UHFFFAOYSA-N 1 2 265.357 0.564 20 30 CCEDLO CC1(O)CC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000448838686 389991570 /nfs/dbraw/zinc/99/15/70/389991570.db2.gz YZZMRTFMNMLHEE-UHFFFAOYSA-N 1 2 295.383 0.222 20 30 CCEDLO Cc1cc(CNS(=O)(=O)N(C)CCC#N)cc(C)[nH+]1 ZINC000420701356 390025511 /nfs/dbraw/zinc/02/55/11/390025511.db2.gz QUUSNPOQAVWOAJ-UHFFFAOYSA-N 1 2 282.369 0.878 20 30 CCEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000493132922 390119211 /nfs/dbraw/zinc/11/92/11/390119211.db2.gz RQABWMNAWJEWIG-MVZIDQBPSA-N 1 2 295.364 0.625 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1OC ZINC000487999303 390091212 /nfs/dbraw/zinc/09/12/12/390091212.db2.gz LYRUIKCJAHBFCL-MJBXVCDLSA-N 1 2 289.335 0.430 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1OC ZINC000487999303 390091213 /nfs/dbraw/zinc/09/12/13/390091213.db2.gz LYRUIKCJAHBFCL-MJBXVCDLSA-N 1 2 289.335 0.430 20 30 CCEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000579719226 390202958 /nfs/dbraw/zinc/20/29/58/390202958.db2.gz QIUNCLBOLCZSKR-NOHGZBONSA-N 1 2 253.346 0.760 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000542785392 390270591 /nfs/dbraw/zinc/27/05/91/390270591.db2.gz URAWJBJMNVYIEI-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000542785392 390270594 /nfs/dbraw/zinc/27/05/94/390270594.db2.gz URAWJBJMNVYIEI-SNVBAGLBSA-N 1 2 292.339 0.234 20 30 CCEDLO C=CCn1cc(CNC(=O)N2CCn3c[nH+]cc3C2)nn1 ZINC000583749363 390307495 /nfs/dbraw/zinc/30/74/95/390307495.db2.gz KHWOJHWIVYJWFO-UHFFFAOYSA-N 1 2 287.327 0.386 20 30 CCEDLO C=CCCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000584479652 390349266 /nfs/dbraw/zinc/34/92/66/390349266.db2.gz BPNVSPDLUXTPAL-UHFFFAOYSA-N 1 2 253.346 0.281 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cccc(C#N)n2)CC[N@@H+]1CCO ZINC000589491335 390360371 /nfs/dbraw/zinc/36/03/71/390360371.db2.gz BAAFAOUTQFOMPO-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cccc(C#N)n2)CC[N@H+]1CCO ZINC000589491335 390360373 /nfs/dbraw/zinc/36/03/73/390360373.db2.gz BAAFAOUTQFOMPO-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000645370119 390416496 /nfs/dbraw/zinc/41/64/96/390416496.db2.gz KBHSPCAIEZHSGY-CYBMUJFWSA-N 1 2 286.335 0.908 20 30 CCEDLO C=CCC[C@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OCC ZINC000562950868 390491238 /nfs/dbraw/zinc/49/12/38/390491238.db2.gz IFRAOSHPGSNQEH-LBPRGKRZSA-N 1 2 279.340 0.977 20 30 CCEDLO Cc1ccc(C(N)=O)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000518543974 390493655 /nfs/dbraw/zinc/49/36/55/390493655.db2.gz ZERMDZOWRNQHTE-ZDUSSCGKSA-N 1 2 291.351 0.679 20 30 CCEDLO Cc1ccc(C(N)=O)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000518543974 390493657 /nfs/dbraw/zinc/49/36/57/390493657.db2.gz ZERMDZOWRNQHTE-ZDUSSCGKSA-N 1 2 291.351 0.679 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000649184612 390513504 /nfs/dbraw/zinc/51/35/04/390513504.db2.gz OEDXEQKTHQJECE-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCNC(=O)CC2)nn1 ZINC000643770345 390539076 /nfs/dbraw/zinc/53/90/76/390539076.db2.gz OOTQBWCBLGUTGZ-GFCCVEGCSA-N 1 2 275.356 0.307 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000566426758 390603385 /nfs/dbraw/zinc/60/33/85/390603385.db2.gz WPAHZLRPIXLPCV-DOMZBBRYSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000566426758 390603388 /nfs/dbraw/zinc/60/33/88/390603388.db2.gz WPAHZLRPIXLPCV-DOMZBBRYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCOCC1 ZINC000567995079 390711945 /nfs/dbraw/zinc/71/19/45/390711945.db2.gz AGUAYZDFSMZSOA-ZDUSSCGKSA-N 1 2 253.346 0.763 20 30 CCEDLO COCC1=CC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135759 390680332 /nfs/dbraw/zinc/68/03/32/390680332.db2.gz MYPHTYRZOUDRMH-UHFFFAOYSA-N 1 2 263.341 0.827 20 30 CCEDLO COCC1=CC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135759 390680336 /nfs/dbraw/zinc/68/03/36/390680336.db2.gz MYPHTYRZOUDRMH-UHFFFAOYSA-N 1 2 263.341 0.827 20 30 CCEDLO CO[C@@H]1COCC[C@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567392111 390697145 /nfs/dbraw/zinc/69/71/45/390697145.db2.gz FDQHORIZDHGITF-SCRDCRAPSA-N 1 2 283.372 0.388 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000572699472 390797278 /nfs/dbraw/zinc/79/72/78/390797278.db2.gz WVVFQDVMCZQKLB-MNOVXSKESA-N 1 2 295.364 0.233 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000572699472 390797279 /nfs/dbraw/zinc/79/72/79/390797279.db2.gz WVVFQDVMCZQKLB-MNOVXSKESA-N 1 2 295.364 0.233 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000572716254 390798491 /nfs/dbraw/zinc/79/84/91/390798491.db2.gz ZWCHJUGSZUFDST-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000572716254 390798492 /nfs/dbraw/zinc/79/84/92/390798492.db2.gz ZWCHJUGSZUFDST-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000571481173 390737781 /nfs/dbraw/zinc/73/77/81/390737781.db2.gz CDQJASIDGCQYSB-JTQLQIEISA-N 1 2 277.324 0.910 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000571481173 390737782 /nfs/dbraw/zinc/73/77/82/390737782.db2.gz CDQJASIDGCQYSB-JTQLQIEISA-N 1 2 277.324 0.910 20 30 CCEDLO COC(=O)C1(O)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425247245 533260085 /nfs/dbraw/zinc/26/00/85/533260085.db2.gz NMHLENHZTBWHMZ-UHFFFAOYSA-N 1 2 275.308 0.766 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191358982 130226752 /nfs/dbraw/zinc/22/67/52/130226752.db2.gz RYBNDGMAJSSKKZ-SNVBAGLBSA-N 1 2 269.370 0.762 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191358982 130226755 /nfs/dbraw/zinc/22/67/55/130226755.db2.gz RYBNDGMAJSSKKZ-SNVBAGLBSA-N 1 2 269.370 0.762 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1C#N ZINC000191436980 130236283 /nfs/dbraw/zinc/23/62/83/130236283.db2.gz ISMYTOUXNUAIMC-GFCCVEGCSA-N 1 2 259.313 0.106 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1C#N ZINC000191436980 130236284 /nfs/dbraw/zinc/23/62/84/130236284.db2.gz ISMYTOUXNUAIMC-GFCCVEGCSA-N 1 2 259.313 0.106 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000263801346 131334777 /nfs/dbraw/zinc/33/47/77/131334777.db2.gz QHOSTMSUVDNRKC-GFCCVEGCSA-N 1 2 273.340 0.339 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000269258315 132144500 /nfs/dbraw/zinc/14/45/00/132144500.db2.gz CKUGPKLXABZSFB-AWEZNQCLSA-N 1 2 270.336 0.569 20 30 CCEDLO C=CCNC(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000174674716 134421833 /nfs/dbraw/zinc/42/18/33/134421833.db2.gz OLCBFVJUACDWFD-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000788503613 581114610 /nfs/dbraw/zinc/11/46/10/581114610.db2.gz ICSWUMJZCDJMJP-VIFPVBQESA-N 1 2 286.328 0.897 20 30 CCEDLO Cn1ncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000356524706 144010768 /nfs/dbraw/zinc/01/07/68/144010768.db2.gz BDURCGXZWNKLOH-LLVKDONJSA-N 1 2 296.334 0.695 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368680390 144239366 /nfs/dbraw/zinc/23/93/66/144239366.db2.gz MEMPLXONYFUERE-CYBMUJFWSA-N 1 2 279.365 0.811 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368680390 144239369 /nfs/dbraw/zinc/23/93/69/144239369.db2.gz MEMPLXONYFUERE-CYBMUJFWSA-N 1 2 279.365 0.811 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@@H]2CCC[C@H]2O1 ZINC000440966723 397548332 /nfs/dbraw/zinc/54/83/32/397548332.db2.gz RYWVTWXFEJOGAN-GHMZBOCLSA-N 1 2 251.330 0.658 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@@H]2CCC[C@H]2O1 ZINC000440966723 397548337 /nfs/dbraw/zinc/54/83/37/397548337.db2.gz RYWVTWXFEJOGAN-GHMZBOCLSA-N 1 2 251.330 0.658 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2cc(C#N)ccn2)c[nH+]1 ZINC000552018328 286147629 /nfs/dbraw/zinc/14/76/29/286147629.db2.gz CGMRCWZMBLHYHA-UHFFFAOYSA-N 1 2 268.280 0.394 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c(C#N)c1C ZINC000285469506 196295007 /nfs/dbraw/zinc/29/50/07/196295007.db2.gz HIFOLNJAPVUOHN-VXGBXAGGSA-N 1 2 293.323 0.398 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)c(C#N)c1C ZINC000285469506 196295009 /nfs/dbraw/zinc/29/50/09/196295009.db2.gz HIFOLNJAPVUOHN-VXGBXAGGSA-N 1 2 293.323 0.398 20 30 CCEDLO C=CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660708292 414454801 /nfs/dbraw/zinc/45/48/01/414454801.db2.gz WVVHWOVDGUDGCC-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@H](C)COC ZINC000661241192 414584393 /nfs/dbraw/zinc/58/43/93/414584393.db2.gz XUWKYKWZANZDGH-SNVBAGLBSA-N 1 2 288.369 0.950 20 30 CCEDLO C=CC[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@H](C)COC ZINC000661241192 414584398 /nfs/dbraw/zinc/58/43/98/414584398.db2.gz XUWKYKWZANZDGH-SNVBAGLBSA-N 1 2 288.369 0.950 20 30 CCEDLO CCOC(=O)[C@H]([NH2+]CCOCCC#N)C1CCOCC1 ZINC000339090853 262596791 /nfs/dbraw/zinc/59/67/91/262596791.db2.gz YYJFLPSIENSBPM-CYBMUJFWSA-N 1 2 284.356 0.865 20 30 CCEDLO C=CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000664226191 415286500 /nfs/dbraw/zinc/28/65/00/415286500.db2.gz CRJQFDICYVDNCI-UHFFFAOYSA-N 1 2 261.329 0.743 20 30 CCEDLO C=CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000664226191 415286507 /nfs/dbraw/zinc/28/65/07/415286507.db2.gz CRJQFDICYVDNCI-UHFFFAOYSA-N 1 2 261.329 0.743 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000665626358 416468286 /nfs/dbraw/zinc/46/82/86/416468286.db2.gz WCDBQCCLLMYUNY-OAHLLOKOSA-N 1 2 275.352 0.663 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665562185 416457552 /nfs/dbraw/zinc/45/75/52/416457552.db2.gz KMMACDHUGXJJBI-LBPRGKRZSA-N 1 2 266.366 0.939 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1(CO)CCC1 ZINC000330284486 228092709 /nfs/dbraw/zinc/09/27/09/228092709.db2.gz XNODOMGTYJQVSJ-JTQLQIEISA-N 1 2 264.329 0.617 20 30 CCEDLO [O-]C(NC1(CO)CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330284486 228092711 /nfs/dbraw/zinc/09/27/11/228092711.db2.gz XNODOMGTYJQVSJ-JTQLQIEISA-N 1 2 264.329 0.617 20 30 CCEDLO Cn1cnc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000330346324 228161894 /nfs/dbraw/zinc/16/18/94/228161894.db2.gz GJQVKHGRPVIIDQ-UHFFFAOYSA-N 1 2 295.343 0.013 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCOCC1 ZINC000328773163 545019230 /nfs/dbraw/zinc/01/92/30/545019230.db2.gz BJJDHEYOLLBWRR-NSHDSACASA-N 1 2 271.361 0.390 20 30 CCEDLO O=C(CNC(=O)c1csnn1)NCC[NH+]1CCOCC1 ZINC000329357895 545022175 /nfs/dbraw/zinc/02/21/75/545022175.db2.gz HKJDXJIRPCCNOP-UHFFFAOYSA-N 1 2 299.356 0.131 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1nn(C)cc1C#N ZINC000610563106 420494633 /nfs/dbraw/zinc/49/46/33/420494633.db2.gz SAXILYSWMVLWRF-JTQLQIEISA-N 1 2 292.343 0.134 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407988383 260151604 /nfs/dbraw/zinc/15/16/04/260151604.db2.gz CGGXWCHLKXPJFZ-NWDGAFQWSA-N 1 2 271.386 0.646 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCC#N ZINC000071016265 260271592 /nfs/dbraw/zinc/27/15/92/260271592.db2.gz ISSBDDVAQWJYBO-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCC#N ZINC000071016265 260271594 /nfs/dbraw/zinc/27/15/94/260271594.db2.gz ISSBDDVAQWJYBO-SNVBAGLBSA-N 1 2 253.302 0.044 20 30 CCEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000136066680 260923261 /nfs/dbraw/zinc/92/32/61/260923261.db2.gz HURSTUUTGWQQGA-UHFFFAOYSA-N 1 2 251.286 0.605 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000490715283 261190064 /nfs/dbraw/zinc/19/00/64/261190064.db2.gz WHOUWNLJZLCFGY-RRFJBIMHSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000490715283 261190068 /nfs/dbraw/zinc/19/00/68/261190068.db2.gz WHOUWNLJZLCFGY-RRFJBIMHSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CC[N@@H+](CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000490986230 261280577 /nfs/dbraw/zinc/28/05/77/261280577.db2.gz QQMDKQYIISVEGF-LLVKDONJSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@H+](CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000490986230 261280579 /nfs/dbraw/zinc/28/05/79/261280579.db2.gz QQMDKQYIISVEGF-LLVKDONJSA-N 1 2 259.371 0.270 20 30 CCEDLO CCN(C[C@H](C)C#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000303255840 261357631 /nfs/dbraw/zinc/35/76/31/261357631.db2.gz HHODNEUBJHBHHH-OLZOCXBDSA-N 1 2 255.362 0.161 20 30 CCEDLO C[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000106339657 261369577 /nfs/dbraw/zinc/36/95/77/261369577.db2.gz MIURHEOMJZVWNW-RWMBFGLXSA-N 1 2 296.371 0.030 20 30 CCEDLO C[C@@H](NC(=O)C1(C#N)CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000109143401 261391140 /nfs/dbraw/zinc/39/11/40/261391140.db2.gz MGGBNMRNEGMRHU-OLZOCXBDSA-N 1 2 295.383 0.532 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC000354186359 262518990 /nfs/dbraw/zinc/51/89/90/262518990.db2.gz GTVYJQPTFAAIEH-SNVBAGLBSA-N 1 2 259.313 0.593 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000339782828 262672899 /nfs/dbraw/zinc/67/28/99/262672899.db2.gz ZITWQSMDXNMYHG-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000339782828 262672900 /nfs/dbraw/zinc/67/29/00/262672900.db2.gz ZITWQSMDXNMYHG-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000339922724 262694159 /nfs/dbraw/zinc/69/41/59/262694159.db2.gz ZOLYAZUSMAZOBT-LBPRGKRZSA-N 1 2 297.380 0.475 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)[nH]1 ZINC000272743229 263008496 /nfs/dbraw/zinc/00/84/96/263008496.db2.gz LNUHUMMCQOTSOZ-UHFFFAOYSA-N 1 2 262.313 0.442 20 30 CCEDLO NC(CCO)=[NH+]OCc1cccc2nsnc21 ZINC000275435631 263033286 /nfs/dbraw/zinc/03/32/86/263033286.db2.gz GTWJDIZACOWUJU-UHFFFAOYSA-N 1 2 252.299 0.863 20 30 CCEDLO COc1ccccc1CN(C)C(=O)CO[NH+]=C(N)CCO ZINC000275438208 263033427 /nfs/dbraw/zinc/03/34/27/263033427.db2.gz GXKIFOSYXZPKAA-UHFFFAOYSA-N 1 2 295.339 0.325 20 30 CCEDLO NC(CCO)=[NH+]OCc1nnc2n1CCCCC2 ZINC000278673411 263049691 /nfs/dbraw/zinc/04/96/91/263049691.db2.gz OKJHXXTTWJVTCP-UHFFFAOYSA-N 1 2 253.306 0.176 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000281856309 263072419 /nfs/dbraw/zinc/07/24/19/263072419.db2.gz ZCKWGVOCXBJJNV-LLVKDONJSA-N 1 2 297.384 0.419 20 30 CCEDLO COCc1noc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284067059 263085694 /nfs/dbraw/zinc/08/56/94/263085694.db2.gz JXLWKICKBYPENT-YUMQZZPRSA-N 1 2 270.289 0.745 20 30 CCEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284549776 263087433 /nfs/dbraw/zinc/08/74/33/263087433.db2.gz VXBCKPSLJDXTIR-JGVFFNPUSA-N 1 2 270.289 0.745 20 30 CCEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nc(N(C)C)no1 ZINC000289355941 263109453 /nfs/dbraw/zinc/10/94/53/263109453.db2.gz HXGJNTGTPRRKLI-VIFPVBQESA-N 1 2 285.348 0.986 20 30 CCEDLO C#CCNC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000042357204 263290072 /nfs/dbraw/zinc/29/00/72/263290072.db2.gz SXELWVWFCPXASZ-QMMMGPOBSA-N 1 2 250.327 0.597 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000122437034 263302666 /nfs/dbraw/zinc/30/26/66/263302666.db2.gz MHCFZBULTXYWRD-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000122437034 263302669 /nfs/dbraw/zinc/30/26/69/263302669.db2.gz MHCFZBULTXYWRD-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C)[C@H](C)CC#N)nn1 ZINC000156912771 263371904 /nfs/dbraw/zinc/37/19/04/263371904.db2.gz WSPVZVWKGVPZGS-SNVBAGLBSA-N 1 2 265.317 0.228 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C)[C@H](C)CC#N)nn1 ZINC000156912771 263371907 /nfs/dbraw/zinc/37/19/07/263371907.db2.gz WSPVZVWKGVPZGS-SNVBAGLBSA-N 1 2 265.317 0.228 20 30 CCEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](CCO)CC1 ZINC000342011076 263377648 /nfs/dbraw/zinc/37/76/48/263377648.db2.gz QLVALMJVAUVNBQ-UHFFFAOYSA-N 1 2 291.351 0.397 20 30 CCEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330391585 263926308 /nfs/dbraw/zinc/92/63/08/263926308.db2.gz HVJSGRICKUAZGV-LLVKDONJSA-N 1 2 278.356 0.783 20 30 CCEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330391585 263926310 /nfs/dbraw/zinc/92/63/10/263926310.db2.gz HVJSGRICKUAZGV-LLVKDONJSA-N 1 2 278.356 0.783 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnnn2C)C1 ZINC000330605625 263972263 /nfs/dbraw/zinc/97/22/63/263972263.db2.gz MLTIYXIURLTIAG-SNVBAGLBSA-N 1 2 295.343 0.005 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnnn2C)C1 ZINC000330605625 263972265 /nfs/dbraw/zinc/97/22/65/263972265.db2.gz MLTIYXIURLTIAG-SNVBAGLBSA-N 1 2 295.343 0.005 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)CC(C)(C)C#N)CC1 ZINC000330750135 264029137 /nfs/dbraw/zinc/02/91/37/264029137.db2.gz WHJHUSDKRKMDBJ-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CCS(=O)(=O)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330756810 264030752 /nfs/dbraw/zinc/03/07/52/264030752.db2.gz HUTUSTWLCGRYNV-VIFPVBQESA-N 1 2 288.373 0.247 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCCC#N)C1 ZINC000330829835 264049610 /nfs/dbraw/zinc/04/96/10/264049610.db2.gz IOSARPKBTZRZGF-NSHDSACASA-N 1 2 253.350 0.040 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCCC#N)C1 ZINC000330829835 264049611 /nfs/dbraw/zinc/04/96/11/264049611.db2.gz IOSARPKBTZRZGF-NSHDSACASA-N 1 2 253.350 0.040 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000330785983 264053581 /nfs/dbraw/zinc/05/35/81/264053581.db2.gz MMWLIEGIEVBODZ-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000330785983 264053584 /nfs/dbraw/zinc/05/35/84/264053584.db2.gz MMWLIEGIEVBODZ-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000330946392 264084833 /nfs/dbraw/zinc/08/48/33/264084833.db2.gz KSFXOAFFEZLCBE-SECBINFHSA-N 1 2 257.334 0.536 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000330946392 264084835 /nfs/dbraw/zinc/08/48/35/264084835.db2.gz KSFXOAFFEZLCBE-SECBINFHSA-N 1 2 257.334 0.536 20 30 CCEDLO CN(C)C(=O)CC[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330962128 264088839 /nfs/dbraw/zinc/08/88/39/264088839.db2.gz KBRXQJHGCYIALZ-NSHDSACASA-N 1 2 293.371 0.427 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000330964424 264089732 /nfs/dbraw/zinc/08/97/32/264089732.db2.gz ZOJYCAOTDHRSKI-RKDXNWHRSA-N 1 2 297.384 0.678 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000330964424 264089734 /nfs/dbraw/zinc/08/97/34/264089734.db2.gz ZOJYCAOTDHRSKI-RKDXNWHRSA-N 1 2 297.384 0.678 20 30 CCEDLO CCN(C)C(=O)[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000331028528 264100215 /nfs/dbraw/zinc/10/02/15/264100215.db2.gz WVWVKCNWPVOEES-JTQLQIEISA-N 1 2 281.360 0.633 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000331066321 264112302 /nfs/dbraw/zinc/11/23/02/264112302.db2.gz YGTJGCVGBHHTTC-JTQLQIEISA-N 1 2 295.339 0.821 20 30 CCEDLO C[C@@H]1CN(c2ccc(CNC(=O)CC#N)c[nH+]2)CCO1 ZINC000331066912 264112365 /nfs/dbraw/zinc/11/23/65/264112365.db2.gz QMNZXTKGMSGEIZ-LLVKDONJSA-N 1 2 274.324 0.837 20 30 CCEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(O)c1 ZINC000331230614 264152451 /nfs/dbraw/zinc/15/24/51/264152451.db2.gz HGCMYMJMQOATOL-LBPRGKRZSA-N 1 2 294.351 0.698 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331222080 264166716 /nfs/dbraw/zinc/16/67/16/264166716.db2.gz CIXIGDFOQYHPCA-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189834915 264332096 /nfs/dbraw/zinc/33/20/96/264332096.db2.gz YEYGKMHXPVIBGR-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189834915 264332098 /nfs/dbraw/zinc/33/20/98/264332098.db2.gz YEYGKMHXPVIBGR-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCC#N ZINC000076668903 264340349 /nfs/dbraw/zinc/34/03/49/264340349.db2.gz MFJPRXLYZUXXAD-WOPDTQHZSA-N 1 2 279.340 0.432 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCC#N ZINC000076668903 264340350 /nfs/dbraw/zinc/34/03/50/264340350.db2.gz MFJPRXLYZUXXAD-WOPDTQHZSA-N 1 2 279.340 0.432 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCC(C)C)C1=O ZINC000281343395 264473440 /nfs/dbraw/zinc/47/34/40/264473440.db2.gz MPWFVQGHUUIPKU-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCC(C)C)C1=O ZINC000281343395 264473441 /nfs/dbraw/zinc/47/34/41/264473441.db2.gz MPWFVQGHUUIPKU-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000357680847 266346106 /nfs/dbraw/zinc/34/61/06/266346106.db2.gz XRCYYUJPXACQST-ZIAGYGMSSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000357680847 266346107 /nfs/dbraw/zinc/34/61/07/266346107.db2.gz XRCYYUJPXACQST-ZIAGYGMSSA-N 1 2 282.384 0.541 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368891265 267212329 /nfs/dbraw/zinc/21/23/29/267212329.db2.gz BMRGPYKXNZCQPU-DOMZBBRYSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000368891265 267212332 /nfs/dbraw/zinc/21/23/32/267212332.db2.gz BMRGPYKXNZCQPU-DOMZBBRYSA-N 1 2 294.399 0.641 20 30 CCEDLO N#Cc1cccc(NC[C@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000394687602 268270239 /nfs/dbraw/zinc/27/02/39/268270239.db2.gz HTOVZDMZDZHYFH-LBPRGKRZSA-N 1 2 287.323 0.878 20 30 CCEDLO O=C1CO[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2N1 ZINC000334556120 280266945 /nfs/dbraw/zinc/26/69/45/280266945.db2.gz TUVROZSWBQTLRS-GJZGRUSLSA-N 1 2 288.322 0.767 20 30 CCEDLO O=C1CO[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2N1 ZINC000334556120 280266947 /nfs/dbraw/zinc/26/69/47/280266947.db2.gz TUVROZSWBQTLRS-GJZGRUSLSA-N 1 2 288.322 0.767 20 30 CCEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1nccnc1C#N ZINC000291232748 289048803 /nfs/dbraw/zinc/04/88/03/289048803.db2.gz WWSIUUWXVKNQCF-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000491203313 327727987 /nfs/dbraw/zinc/72/79/87/327727987.db2.gz VALPHPYQLOAQHZ-MVZIDQBPSA-N 1 2 293.348 0.072 20 30 CCEDLO COC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000496886798 327933298 /nfs/dbraw/zinc/93/32/98/327933298.db2.gz CEDXMJBDAURFAL-RISCZKNCSA-N 1 2 296.371 0.425 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000571262696 328096094 /nfs/dbraw/zinc/09/60/94/328096094.db2.gz DQYWUQCKZTVNHG-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000571262696 328096095 /nfs/dbraw/zinc/09/60/95/328096095.db2.gz DQYWUQCKZTVNHG-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO COCCn1cc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000271137132 328194952 /nfs/dbraw/zinc/19/49/52/328194952.db2.gz AFFISHSVYPAFGU-UHFFFAOYSA-N 1 2 263.345 0.171 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000284617176 328246562 /nfs/dbraw/zinc/24/65/62/328246562.db2.gz ZJPSXWUROXNIFX-LBPRGKRZSA-N 1 2 295.314 0.910 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(N)=O ZINC000048871619 328323614 /nfs/dbraw/zinc/32/36/14/328323614.db2.gz PGLYEMGTPWVMCL-JTQLQIEISA-N 1 2 266.345 0.135 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(N)=O ZINC000048871619 328323615 /nfs/dbraw/zinc/32/36/15/328323615.db2.gz PGLYEMGTPWVMCL-JTQLQIEISA-N 1 2 266.345 0.135 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000120390449 328344506 /nfs/dbraw/zinc/34/45/06/328344506.db2.gz LPDZVAVXDWJNJR-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340742268 328399174 /nfs/dbraw/zinc/39/91/74/328399174.db2.gz KPYVLCZANXVSHA-NWDGAFQWSA-N 1 2 266.345 0.755 20 30 CCEDLO CC#CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584194178 327064699 /nfs/dbraw/zinc/06/46/99/327064699.db2.gz WQGQABXRPHKDQX-UHFFFAOYSA-N 1 2 255.281 0.758 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000565958898 327096930 /nfs/dbraw/zinc/09/69/30/327096930.db2.gz GOFFXGMCRDGFRM-UHFFFAOYSA-N 1 2 298.346 0.995 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000558561308 327105726 /nfs/dbraw/zinc/10/57/26/327105726.db2.gz LBNBNLFNXKYSIT-LBPRGKRZSA-N 1 2 299.400 0.589 20 30 CCEDLO CC(C)c1nc(CO[NH+]=C(N)CN2CCOCC2)no1 ZINC000111181993 327277568 /nfs/dbraw/zinc/27/75/68/327277568.db2.gz UCSVQBAOPPDRBV-UHFFFAOYSA-N 1 2 283.332 0.314 20 30 CCEDLO COC(=O)c1ccc(N2CC(n3cc[nH+]c3)C2)c(C#N)n1 ZINC000583391718 327340455 /nfs/dbraw/zinc/34/04/55/327340455.db2.gz DUSSKWHJKMLTIE-UHFFFAOYSA-N 1 2 283.291 0.998 20 30 CCEDLO CC(C)COC[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000573016229 327591955 /nfs/dbraw/zinc/59/19/55/327591955.db2.gz LCFMACSUSHSDON-ZDUSSCGKSA-N 1 2 283.372 0.078 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCCNC1=O ZINC000377574429 329019268 /nfs/dbraw/zinc/01/92/68/329019268.db2.gz GQWOHICKRCFXFN-SWLSCSKDSA-N 1 2 292.383 0.395 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCCNC1=O ZINC000377574429 329019270 /nfs/dbraw/zinc/01/92/70/329019270.db2.gz GQWOHICKRCFXFN-SWLSCSKDSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183752578 329249925 /nfs/dbraw/zinc/24/99/25/329249925.db2.gz ORGJWQLIIRQIHT-CYBMUJFWSA-N 1 2 270.398 0.946 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183752578 329249927 /nfs/dbraw/zinc/24/99/27/329249927.db2.gz ORGJWQLIIRQIHT-CYBMUJFWSA-N 1 2 270.398 0.946 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188784225 329372379 /nfs/dbraw/zinc/37/23/79/329372379.db2.gz IDLOLQLMYGOLFN-JQWIXIFHSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188784225 329372380 /nfs/dbraw/zinc/37/23/80/329372380.db2.gz IDLOLQLMYGOLFN-JQWIXIFHSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000189087086 329375584 /nfs/dbraw/zinc/37/55/84/329375584.db2.gz FMAOQFSQWFRZAL-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000189087086 329375586 /nfs/dbraw/zinc/37/55/86/329375586.db2.gz FMAOQFSQWFRZAL-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000128101706 329604847 /nfs/dbraw/zinc/60/48/47/329604847.db2.gz WGDBPOMWGXZPKS-NWDGAFQWSA-N 1 2 294.399 0.555 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425209826 329640397 /nfs/dbraw/zinc/64/03/97/329640397.db2.gz UTLRNUAFJFKJMC-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079562887 330041609 /nfs/dbraw/zinc/04/16/09/330041609.db2.gz SRRDJZSAWMGIBH-ZDUSSCGKSA-N 1 2 270.373 0.806 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778638 330301519 /nfs/dbraw/zinc/30/15/19/330301519.db2.gz MNXANECBTUJXOC-NEPJUHHUSA-N 1 2 257.355 0.288 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778638 330301520 /nfs/dbraw/zinc/30/15/20/330301520.db2.gz MNXANECBTUJXOC-NEPJUHHUSA-N 1 2 257.355 0.288 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)nn1 ZINC000424189724 330322797 /nfs/dbraw/zinc/32/27/97/330322797.db2.gz LGKSQXMAJUUJGL-JTQLQIEISA-N 1 2 299.325 0.829 20 30 CCEDLO C[N@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000083217836 330356703 /nfs/dbraw/zinc/35/67/03/330356703.db2.gz FSCPJOSRSXXMGW-UHFFFAOYSA-N 1 2 264.329 0.696 20 30 CCEDLO C[N@@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000083217836 330356704 /nfs/dbraw/zinc/35/67/04/330356704.db2.gz FSCPJOSRSXXMGW-UHFFFAOYSA-N 1 2 264.329 0.696 20 30 CCEDLO CCCN1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000514792395 330465415 /nfs/dbraw/zinc/46/54/15/330465415.db2.gz JUHNKCQHSYHFEY-RISCZKNCSA-N 1 2 280.372 0.205 20 30 CCEDLO C=C(CC)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000452046738 331051912 /nfs/dbraw/zinc/05/19/12/331051912.db2.gz WQHINNSMOMJTJO-UHFFFAOYSA-N 1 2 276.402 0.594 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000459908431 331303279 /nfs/dbraw/zinc/30/32/79/331303279.db2.gz ORCIVFHUNJQEKV-CYBMUJFWSA-N 1 2 289.335 0.706 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nccs2)CC1 ZINC000490741402 332111755 /nfs/dbraw/zinc/11/17/55/332111755.db2.gz RFKLCXFWUHEALD-UHFFFAOYSA-N 1 2 292.408 0.352 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490850991 332120214 /nfs/dbraw/zinc/12/02/14/332120214.db2.gz DIEKSCPNIJTNIF-CYBMUJFWSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@H+](CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490850991 332120215 /nfs/dbraw/zinc/12/02/15/332120215.db2.gz DIEKSCPNIJTNIF-CYBMUJFWSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](CC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490850992 332120294 /nfs/dbraw/zinc/12/02/94/332120294.db2.gz DIEKSCPNIJTNIF-ZDUSSCGKSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCN(C(=O)C[N@H+](CC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490850992 332120296 /nfs/dbraw/zinc/12/02/96/332120296.db2.gz DIEKSCPNIJTNIF-ZDUSSCGKSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@H]2CCCO2)CC1 ZINC000491070751 332145983 /nfs/dbraw/zinc/14/59/83/332145983.db2.gz FEBJSNQNYMRDGC-CYBMUJFWSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C)CC1 ZINC000491146822 332156279 /nfs/dbraw/zinc/15/62/79/332156279.db2.gz PEHSSCKOYFSNOC-QWHCGFSZSA-N 1 2 289.383 0.668 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000491276002 332179060 /nfs/dbraw/zinc/17/90/60/332179060.db2.gz HIZLWYQDWLWDDX-NEPJUHHUSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CC[N@H+](CCC[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000491276002 332179061 /nfs/dbraw/zinc/17/90/61/332179061.db2.gz HIZLWYQDWLWDDX-NEPJUHHUSA-N 1 2 259.371 0.270 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000491370962 332198474 /nfs/dbraw/zinc/19/84/74/332198474.db2.gz BYTITKPZSYOKKW-CYBMUJFWSA-N 1 2 259.309 0.744 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000491370962 332198476 /nfs/dbraw/zinc/19/84/76/332198476.db2.gz BYTITKPZSYOKKW-CYBMUJFWSA-N 1 2 259.309 0.744 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000491387059 332202724 /nfs/dbraw/zinc/20/27/24/332202724.db2.gz WWBKHWVEJUQFLP-JTQLQIEISA-N 1 2 280.328 0.396 20 30 CCEDLO C#CC[N@H+](C)CCCNS(=O)(=O)CC(F)(F)F ZINC000491496399 332223193 /nfs/dbraw/zinc/22/31/93/332223193.db2.gz QDXCJCZOVLUVOV-UHFFFAOYSA-N 1 2 272.292 0.423 20 30 CCEDLO C#CC[N@@H+](C)CCCNS(=O)(=O)CC(F)(F)F ZINC000491496399 332223194 /nfs/dbraw/zinc/22/31/94/332223194.db2.gz QDXCJCZOVLUVOV-UHFFFAOYSA-N 1 2 272.292 0.423 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCCCOC(C)=O)CC1 ZINC000491631926 332254373 /nfs/dbraw/zinc/25/43/73/332254373.db2.gz RWTSIJYOXIXSGK-UHFFFAOYSA-N 1 2 298.408 0.450 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000491698273 332293362 /nfs/dbraw/zinc/29/33/62/332293362.db2.gz SGLUOUXUZOCSIE-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000491698273 332293364 /nfs/dbraw/zinc/29/33/64/332293364.db2.gz SGLUOUXUZOCSIE-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491735963 332316438 /nfs/dbraw/zinc/31/64/38/332316438.db2.gz ULWJUUJETIHTHG-CYBMUJFWSA-N 1 2 284.319 0.878 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491803445 332357474 /nfs/dbraw/zinc/35/74/74/332357474.db2.gz JILAPGWFKLAVNZ-LBPRGKRZSA-N 1 2 270.336 0.935 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491803445 332357476 /nfs/dbraw/zinc/35/74/76/332357476.db2.gz JILAPGWFKLAVNZ-LBPRGKRZSA-N 1 2 270.336 0.935 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000252013087 334373242 /nfs/dbraw/zinc/37/32/42/334373242.db2.gz XVMPRRWUUZGZHU-MGPQQGTHSA-N 1 2 297.399 0.730 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000252013087 334373243 /nfs/dbraw/zinc/37/32/43/334373243.db2.gz XVMPRRWUUZGZHU-MGPQQGTHSA-N 1 2 297.399 0.730 20 30 CCEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cnccn1 ZINC000174638380 333004623 /nfs/dbraw/zinc/00/46/23/333004623.db2.gz ZMJLRSAHIWKECU-UHFFFAOYSA-N 1 2 286.339 0.564 20 30 CCEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cnccn1 ZINC000174638380 333004624 /nfs/dbraw/zinc/00/46/24/333004624.db2.gz ZMJLRSAHIWKECU-UHFFFAOYSA-N 1 2 286.339 0.564 20 30 CCEDLO C=CCSCCNC(=O)NCC[NH+]1CCOCC1 ZINC000194613968 333273194 /nfs/dbraw/zinc/27/31/94/333273194.db2.gz CLJCXDAVAFPGGB-UHFFFAOYSA-N 1 2 273.402 0.537 20 30 CCEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339097431 335141365 /nfs/dbraw/zinc/14/13/65/335141365.db2.gz WYNBNEPTNLEKHQ-NSHDSACASA-N 1 2 260.359 0.426 20 30 CCEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339097431 335141366 /nfs/dbraw/zinc/14/13/66/335141366.db2.gz WYNBNEPTNLEKHQ-NSHDSACASA-N 1 2 260.359 0.426 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(CC#N)CC3)ccn12 ZINC000564349330 334154040 /nfs/dbraw/zinc/15/40/40/334154040.db2.gz LMUINYCAMDLTCJ-UHFFFAOYSA-N 1 2 283.335 0.924 20 30 CCEDLO CC(C)CCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000564661100 334515574 /nfs/dbraw/zinc/51/55/74/334515574.db2.gz PMNBYFZIJHKXFY-CQSZACIVSA-N 1 2 292.387 0.898 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)c(N)n1 ZINC000576957465 335270044 /nfs/dbraw/zinc/27/00/44/335270044.db2.gz NRWACIZLOYJVDX-SNVBAGLBSA-N 1 2 261.329 0.090 20 30 CCEDLO NC(=O)[C@]1([NH2+]CC#Cc2ccc(F)cc2)CCOC1 ZINC000577623549 335380969 /nfs/dbraw/zinc/38/09/69/335380969.db2.gz SIZVTDHKDXBMEE-AWEZNQCLSA-N 1 2 262.284 0.411 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000182951467 335852394 /nfs/dbraw/zinc/85/23/94/335852394.db2.gz FEXKYGBRFGQIHI-GFCCVEGCSA-N 1 2 278.356 0.884 20 30 CCEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)ccc1C#N ZINC000449779551 533813622 /nfs/dbraw/zinc/81/36/22/533813622.db2.gz XWRHKMYRYNUZID-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC(N)=O)ccc1C#N ZINC000449779551 533813626 /nfs/dbraw/zinc/81/36/26/533813626.db2.gz XWRHKMYRYNUZID-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C#N ZINC000350475120 534062298 /nfs/dbraw/zinc/06/22/98/534062298.db2.gz CGXZQCYEEZBBHK-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000425367276 534081685 /nfs/dbraw/zinc/08/16/85/534081685.db2.gz SDATYVJNTDTVLE-NSHDSACASA-N 1 2 298.350 0.828 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000425367276 534081693 /nfs/dbraw/zinc/08/16/93/534081693.db2.gz SDATYVJNTDTVLE-NSHDSACASA-N 1 2 298.350 0.828 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cnc21 ZINC000330250323 534338435 /nfs/dbraw/zinc/33/84/35/534338435.db2.gz MYPQDYZTNFTDGN-SNVBAGLBSA-N 1 2 297.322 0.879 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332668648 526636374 /nfs/dbraw/zinc/63/63/74/526636374.db2.gz BBDRODVIWFPHNI-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332668648 526636378 /nfs/dbraw/zinc/63/63/78/526636378.db2.gz BBDRODVIWFPHNI-KGLIPLIRSA-N 1 2 297.399 0.694 20 30 CCEDLO N#Cc1ccccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000054977965 526734703 /nfs/dbraw/zinc/73/47/03/526734703.db2.gz UMPLWQLYLUIHFC-UHFFFAOYSA-N 1 2 258.325 0.161 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1cc[nH+]c1 ZINC000666352734 545120622 /nfs/dbraw/zinc/12/06/22/545120622.db2.gz CAZQDFMHUZIJFH-LBPRGKRZSA-N 1 2 264.329 0.470 20 30 CCEDLO C=CCCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000349054396 527156782 /nfs/dbraw/zinc/15/67/82/527156782.db2.gz QAYFWNMHRRVJMH-UHFFFAOYSA-N 1 2 255.362 0.974 20 30 CCEDLO C=CCCC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000344582451 527199002 /nfs/dbraw/zinc/19/90/02/527199002.db2.gz MQWQTWUHKGHOPA-ZDUSSCGKSA-N 1 2 272.414 0.757 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355084755 527379770 /nfs/dbraw/zinc/37/97/70/527379770.db2.gz XAZNHLPRKYZRFZ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355084755 527379774 /nfs/dbraw/zinc/37/97/74/527379774.db2.gz XAZNHLPRKYZRFZ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000668565072 545181856 /nfs/dbraw/zinc/18/18/56/545181856.db2.gz YIDKUUMUAUTKMJ-OLZOCXBDSA-N 1 2 268.357 0.247 20 30 CCEDLO CCN(C)C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000358226120 527725572 /nfs/dbraw/zinc/72/55/72/527725572.db2.gz CQPPIWUCQBFICY-CYBMUJFWSA-N 1 2 274.324 0.153 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673283430 545282107 /nfs/dbraw/zinc/28/21/07/545282107.db2.gz IFYUPWFYYBBBKV-CQSZACIVSA-N 1 2 287.363 0.934 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673283430 545282108 /nfs/dbraw/zinc/28/21/08/545282108.db2.gz IFYUPWFYYBBBKV-CQSZACIVSA-N 1 2 287.363 0.934 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)C(C)(C)C#N)CCO1 ZINC000347704887 529291669 /nfs/dbraw/zinc/29/16/69/529291669.db2.gz VTAIQRRVRCCQBV-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C#N)CCO1 ZINC000347704887 529291672 /nfs/dbraw/zinc/29/16/72/529291672.db2.gz VTAIQRRVRCCQBV-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000677479161 545366170 /nfs/dbraw/zinc/36/61/70/545366170.db2.gz MYWZEZUIZUJKEH-UHFFFAOYSA-N 1 2 288.347 0.800 20 30 CCEDLO COCC#CC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000677817220 545373507 /nfs/dbraw/zinc/37/35/07/545373507.db2.gz JIPKGOCWEDQRJA-LLVKDONJSA-N 1 2 259.371 0.534 20 30 CCEDLO COCC#CC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000677817220 545373508 /nfs/dbraw/zinc/37/35/08/545373508.db2.gz JIPKGOCWEDQRJA-LLVKDONJSA-N 1 2 259.371 0.534 20 30 CCEDLO C=CCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681660093 545459029 /nfs/dbraw/zinc/45/90/29/545459029.db2.gz ZXYPJLHAARKBSM-NSHDSACASA-N 1 2 264.329 0.700 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCCc1ccccn1 ZINC000789124551 581135032 /nfs/dbraw/zinc/13/50/32/581135032.db2.gz IDSDEXONPNGPLU-UHFFFAOYSA-N 1 2 272.312 0.629 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000778785239 581166410 /nfs/dbraw/zinc/16/64/10/581166410.db2.gz VFDLFXUWJDRXIW-FQEVSTJZSA-N 1 2 294.380 0.023 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790361554 581185065 /nfs/dbraw/zinc/18/50/65/581185065.db2.gz WRPWNJKCLOIGLX-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790361554 581185068 /nfs/dbraw/zinc/18/50/68/581185068.db2.gz WRPWNJKCLOIGLX-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCCOC1 ZINC000780263811 581223658 /nfs/dbraw/zinc/22/36/58/581223658.db2.gz XXIJHIZSNXJDSW-MRVPVSSYSA-N 1 2 251.290 0.170 20 30 CCEDLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781572160 581271770 /nfs/dbraw/zinc/27/17/70/581271770.db2.gz OFAPBZHWCHCHGY-UHFFFAOYSA-N 1 2 292.339 0.769 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000749522654 581296482 /nfs/dbraw/zinc/29/64/82/581296482.db2.gz FBRZBKBNJUTUFU-LBPRGKRZSA-N 1 2 258.281 0.590 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000749522654 581296484 /nfs/dbraw/zinc/29/64/84/581296484.db2.gz FBRZBKBNJUTUFU-LBPRGKRZSA-N 1 2 258.281 0.590 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000793487236 581300430 /nfs/dbraw/zinc/30/04/30/581300430.db2.gz FYTMNAOKMURUDU-AWEZNQCLSA-N 1 2 287.367 0.551 20 30 CCEDLO C=CCS(=O)(=O)CCNc1nc[nH+]c2c1CCC2 ZINC000782963517 581329298 /nfs/dbraw/zinc/32/92/98/581329298.db2.gz LRCFPWPSIYOFBG-UHFFFAOYSA-N 1 2 267.354 0.978 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(COC)s1 ZINC000782967825 581329866 /nfs/dbraw/zinc/32/98/66/581329866.db2.gz BSBNYASDQDDMJL-UHFFFAOYSA-N 1 2 290.410 0.980 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCCn1cc[nH+]c1 ZINC000783536077 581349016 /nfs/dbraw/zinc/34/90/16/581349016.db2.gz LJEUINKCLYDQAK-UHFFFAOYSA-N 1 2 285.369 0.380 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(C(=O)OC)c2)CC1 ZINC000751383275 581366055 /nfs/dbraw/zinc/36/60/55/581366055.db2.gz RIUJLJMANUJDRR-UHFFFAOYSA-N 1 2 287.319 0.259 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794746756 581386696 /nfs/dbraw/zinc/38/66/96/581386696.db2.gz YNJDVYKNDUYFFJ-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794746756 581386698 /nfs/dbraw/zinc/38/66/98/581386698.db2.gz YNJDVYKNDUYFFJ-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C=CCCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656183 581414430 /nfs/dbraw/zinc/41/44/30/581414430.db2.gz JOIFNMFWFURITK-ZDUSSCGKSA-N 1 2 296.367 0.286 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1C1CC1 ZINC000786959333 581454515 /nfs/dbraw/zinc/45/45/15/581454515.db2.gz KIYMJLSRWNVLAN-TZMCWYRMSA-N 1 2 299.378 0.644 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCO1 ZINC000787300900 581466591 /nfs/dbraw/zinc/46/65/91/581466591.db2.gz XLRPEXTUZOQSTL-AGIUHOORSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000797526008 581467887 /nfs/dbraw/zinc/46/78/87/581467887.db2.gz HCNIXKVWSUIGHK-KCQAQPDRSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000797526008 581467888 /nfs/dbraw/zinc/46/78/88/581467888.db2.gz HCNIXKVWSUIGHK-KCQAQPDRSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cncc(COC)c2)CC1 ZINC000765518318 581523827 /nfs/dbraw/zinc/52/38/27/581523827.db2.gz ZUUALDCJUVATSR-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO Cn1ncc2c1nc(N=NC1CC[N@@H+]3CCC[C@H]13)[nH]c2=O ZINC000765579695 581526464 /nfs/dbraw/zinc/52/64/64/581526464.db2.gz ZDSACJNNNULPMF-SNVBAGLBSA-N 1 2 287.327 0.705 20 30 CCEDLO Cn1ncc2c1nc(N=NC1CC[N@H+]3CCC[C@H]13)[nH]c2=O ZINC000765579695 581526465 /nfs/dbraw/zinc/52/64/65/581526465.db2.gz ZDSACJNNNULPMF-SNVBAGLBSA-N 1 2 287.327 0.705 20 30 CCEDLO C=CCN(C(C)C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766039663 581547464 /nfs/dbraw/zinc/54/74/64/581547464.db2.gz SZAMMBFUIQNPAP-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=CCn1nnn(C[N@@H+](C)CCCC(=O)NC)c1=S ZINC000753808228 581558292 /nfs/dbraw/zinc/55/82/92/581558292.db2.gz MCXWEIBUWUHZFM-UHFFFAOYSA-N 1 2 284.389 0.411 20 30 CCEDLO C=CCn1nnn(C[N@H+](C)CCCC(=O)NC)c1=S ZINC000753808228 581558294 /nfs/dbraw/zinc/55/82/94/581558294.db2.gz MCXWEIBUWUHZFM-UHFFFAOYSA-N 1 2 284.389 0.411 20 30 CCEDLO O=S1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000753933833 581565892 /nfs/dbraw/zinc/56/58/92/581565892.db2.gz FNHQBTJDUVSIKK-LSSOAPJISA-N 1 2 268.386 0.745 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000754349243 581587012 /nfs/dbraw/zinc/58/70/12/581587012.db2.gz WQIQCBVFAMPUOW-GFCCVEGCSA-N 1 2 264.325 0.869 20 30 CCEDLO COC[C@@H]([NH2+]CC(=O)NCCC#N)c1ccc(C)o1 ZINC000754349508 581587239 /nfs/dbraw/zinc/58/72/39/581587239.db2.gz YOQNMWBWNUZYLZ-LLVKDONJSA-N 1 2 265.313 0.895 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cncs2)CC1 ZINC000769320486 581683617 /nfs/dbraw/zinc/68/36/17/581683617.db2.gz QVWHCXHFOZBYFS-UHFFFAOYSA-N 1 2 278.381 0.010 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1=O ZINC000758241977 581731427 /nfs/dbraw/zinc/73/14/27/581731427.db2.gz VIAYWAAUIZKKOG-STQMWFEESA-N 1 2 291.376 0.884 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1=O ZINC000758241977 581731428 /nfs/dbraw/zinc/73/14/28/581731428.db2.gz VIAYWAAUIZKKOG-STQMWFEESA-N 1 2 291.376 0.884 20 30 CCEDLO C#CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213027 581757706 /nfs/dbraw/zinc/75/77/06/581757706.db2.gz RRVXFVWBARIOEM-CYBMUJFWSA-N 1 2 294.376 0.008 20 30 CCEDLO C#CC[N@H+](Cc1ccn(C)c(=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213027 581757708 /nfs/dbraw/zinc/75/77/08/581757708.db2.gz RRVXFVWBARIOEM-CYBMUJFWSA-N 1 2 294.376 0.008 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000758741674 581768019 /nfs/dbraw/zinc/76/80/19/581768019.db2.gz HMHWTVCACJMVDU-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000758741674 581768023 /nfs/dbraw/zinc/76/80/23/581768023.db2.gz HMHWTVCACJMVDU-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO Cc1nc(NCCNC(=O)C2N=CC=CC2=O)cc[nH+]1 ZINC000742407274 581780627 /nfs/dbraw/zinc/78/06/27/581780627.db2.gz GXUMEJYBPNKDGY-OUKQBFOZSA-N 1 2 273.296 0.723 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000731848532 581783320 /nfs/dbraw/zinc/78/33/20/581783320.db2.gz UFMMUEZRRFKEQG-AWEZNQCLSA-N 1 2 285.347 0.473 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000731848532 581783323 /nfs/dbraw/zinc/78/33/23/581783323.db2.gz UFMMUEZRRFKEQG-AWEZNQCLSA-N 1 2 285.347 0.473 20 30 CCEDLO NC(=O)c1ccc(N=NCc2cccc3[nH+]ccn32)nn1 ZINC000771097617 581791660 /nfs/dbraw/zinc/79/16/60/581791660.db2.gz IJVJMKZSXASXPN-UHFFFAOYSA-N 1 2 281.279 0.669 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000732070268 581800449 /nfs/dbraw/zinc/80/04/49/581800449.db2.gz LSUDHLVWCUVZAC-NSHDSACASA-N 1 2 290.323 0.092 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000732070268 581800451 /nfs/dbraw/zinc/80/04/51/581800451.db2.gz LSUDHLVWCUVZAC-NSHDSACASA-N 1 2 290.323 0.092 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000759754245 581819745 /nfs/dbraw/zinc/81/97/45/581819745.db2.gz LSOBLODMXMVFQV-INIZCTEOSA-N 1 2 272.348 0.983 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000759754245 581819746 /nfs/dbraw/zinc/81/97/46/581819746.db2.gz LSOBLODMXMVFQV-INIZCTEOSA-N 1 2 272.348 0.983 20 30 CCEDLO C=CCNC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772064889 581841540 /nfs/dbraw/zinc/84/15/40/581841540.db2.gz ZOZZBCONHBGARQ-SNVBAGLBSA-N 1 2 272.370 0.269 20 30 CCEDLO C=CCNC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772064889 581841541 /nfs/dbraw/zinc/84/15/41/581841541.db2.gz ZOZZBCONHBGARQ-SNVBAGLBSA-N 1 2 272.370 0.269 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000744422958 581841851 /nfs/dbraw/zinc/84/18/51/581841851.db2.gz LADDQMFZIHMELX-SECBINFHSA-N 1 2 261.152 0.958 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCC)CC1 ZINC000744419175 581842147 /nfs/dbraw/zinc/84/21/47/581842147.db2.gz OGFFWWSTFONEPV-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000737044088 581890776 /nfs/dbraw/zinc/89/07/76/581890776.db2.gz KVMIRBCCPDZVBK-JTQLQIEISA-N 1 2 261.753 0.759 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000737044088 581890778 /nfs/dbraw/zinc/89/07/78/581890778.db2.gz KVMIRBCCPDZVBK-JTQLQIEISA-N 1 2 261.753 0.759 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746470088 581915592 /nfs/dbraw/zinc/91/55/92/581915592.db2.gz FTHXTUZOPJWDGS-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746470088 581915596 /nfs/dbraw/zinc/91/55/96/581915596.db2.gz FTHXTUZOPJWDGS-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746512232 581917241 /nfs/dbraw/zinc/91/72/41/581917241.db2.gz NMQKOHOQJNGOLY-UHFFFAOYSA-N 1 2 255.281 0.700 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000761709398 581918660 /nfs/dbraw/zinc/91/86/60/581918660.db2.gz IHLZPESBSSXYID-UHFFFAOYSA-N 1 2 283.287 0.817 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3c(cnn3C)c2)CC1 ZINC000747394575 581938598 /nfs/dbraw/zinc/93/85/98/581938598.db2.gz SJJMLDUCFLNSKM-UHFFFAOYSA-N 1 2 283.335 0.359 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)[C@@H]1CCCO1 ZINC000775344263 582020036 /nfs/dbraw/zinc/02/00/36/582020036.db2.gz GBGSCRGXGLYXJV-CVEARBPZSA-N 1 2 297.362 0.992 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000750057599 582032788 /nfs/dbraw/zinc/03/27/88/582032788.db2.gz QRCVQKRXJUZVEG-CQSZACIVSA-N 1 2 293.754 0.380 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)[C@@H]1CCCO1 ZINC000775795199 582039362 /nfs/dbraw/zinc/03/93/62/582039362.db2.gz VBSXKHJVVFEMOH-CABCVRRESA-N 1 2 297.362 0.992 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000750949491 582065785 /nfs/dbraw/zinc/06/57/85/582065785.db2.gz FIZLTMGUWQUQJQ-FSKGUYTJSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@H+]2CCO[C@@H](C)C2)c1O ZINC000750949491 582065788 /nfs/dbraw/zinc/06/57/88/582065788.db2.gz FIZLTMGUWQUQJQ-FSKGUYTJSA-N 1 2 293.367 0.728 20 30 CCEDLO C#CCOCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765122640 582091039 /nfs/dbraw/zinc/09/10/39/582091039.db2.gz OSAYJZFKLRMAEH-UHFFFAOYSA-N 1 2 266.341 0.007 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000765123451 582091155 /nfs/dbraw/zinc/09/11/55/582091155.db2.gz PSOBOWFLPFBMHH-UHFFFAOYSA-N 1 2 285.347 0.658 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncn2)C1 ZINC000956982956 612992394 /nfs/dbraw/zinc/99/23/94/612992394.db2.gz FRXHEHGFMORBKB-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCSCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000890515001 613011038 /nfs/dbraw/zinc/01/10/38/613011038.db2.gz WVLGQGOIIUPEQG-STQMWFEESA-N 1 2 282.409 0.674 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000898666045 613012069 /nfs/dbraw/zinc/01/20/69/613012069.db2.gz MYFBRBWOKGKWTN-RYUDHWBXSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000898666045 613012071 /nfs/dbraw/zinc/01/20/71/613012071.db2.gz MYFBRBWOKGKWTN-RYUDHWBXSA-N 1 2 270.398 0.578 20 30 CCEDLO COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)on1 ZINC000971211961 617184845 /nfs/dbraw/zinc/18/48/45/617184845.db2.gz VTLMALYDBURCMU-GHMZBOCLSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)on1 ZINC000971211961 617184847 /nfs/dbraw/zinc/18/48/47/617184847.db2.gz VTLMALYDBURCMU-GHMZBOCLSA-N 1 2 292.339 0.876 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923487952 613064073 /nfs/dbraw/zinc/06/40/73/613064073.db2.gz JHPJOIDWZASBMM-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CCCCCCC[NH+]1CC(NS(C)(=O)=O)C1 ZINC000877654765 612976448 /nfs/dbraw/zinc/97/64/48/612976448.db2.gz VGIBBYBYGUHLAU-UHFFFAOYSA-N 1 2 258.387 0.804 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCN(OC)C2=O)cc1 ZINC000902213152 617237159 /nfs/dbraw/zinc/23/71/59/617237159.db2.gz MAHMDLUYBMBPJG-NSHDSACASA-N 1 2 279.296 0.494 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870399 612948342 /nfs/dbraw/zinc/94/83/42/612948342.db2.gz XMAIHLGJSLWUMQ-TYNCELHUSA-N 1 2 298.358 0.738 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870399 612948343 /nfs/dbraw/zinc/94/83/43/612948343.db2.gz XMAIHLGJSLWUMQ-TYNCELHUSA-N 1 2 298.358 0.738 20 30 CCEDLO C#CCC1(O)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000882527826 612971474 /nfs/dbraw/zinc/97/14/74/612971474.db2.gz JIJMLTSEMMNWCN-UHFFFAOYSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000880479323 612974214 /nfs/dbraw/zinc/97/42/14/612974214.db2.gz SZGXNXFBTVKXHC-JTQLQIEISA-N 1 2 292.301 0.904 20 30 CCEDLO C#CCCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870063511 612975573 /nfs/dbraw/zinc/97/55/73/612975573.db2.gz NVEFQFBWOPOLRU-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000877641189 612989179 /nfs/dbraw/zinc/98/91/79/612989179.db2.gz PARDIGSMEIMMPF-AWEZNQCLSA-N 1 2 292.383 0.786 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000877641189 612989180 /nfs/dbraw/zinc/98/91/80/612989180.db2.gz PARDIGSMEIMMPF-AWEZNQCLSA-N 1 2 292.383 0.786 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000823238115 612994360 /nfs/dbraw/zinc/99/43/60/612994360.db2.gz JSEULDOGDOKQME-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874708313 612996041 /nfs/dbraw/zinc/99/60/41/612996041.db2.gz MBILYRBGJWZXNW-QWHCGFSZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874708313 612996042 /nfs/dbraw/zinc/99/60/42/612996042.db2.gz MBILYRBGJWZXNW-QWHCGFSZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC000957113051 613009087 /nfs/dbraw/zinc/00/90/87/613009087.db2.gz ZACTUSHQOAMSQP-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000950340359 613011273 /nfs/dbraw/zinc/01/12/73/613011273.db2.gz VQKLFWMQQRFYKC-UHFFFAOYSA-N 1 2 250.277 0.330 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](CC)OC)CC1 ZINC000817128537 613011858 /nfs/dbraw/zinc/01/18/58/613011858.db2.gz FRLGATIAYYMJFN-CYBMUJFWSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](C)COC)CC1 ZINC000809809889 613012103 /nfs/dbraw/zinc/01/21/03/613012103.db2.gz CXXARIZBTWZQJO-CYBMUJFWSA-N 1 2 288.413 0.240 20 30 CCEDLO C#CCC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859599444 613036204 /nfs/dbraw/zinc/03/62/04/613036204.db2.gz KSRSZXHYHPHBNO-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859599444 613036206 /nfs/dbraw/zinc/03/62/06/613036206.db2.gz KSRSZXHYHPHBNO-MNOVXSKESA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906689600 613047891 /nfs/dbraw/zinc/04/78/91/613047891.db2.gz AVVSJJQLDVWKMH-UHFFFAOYSA-N 1 2 275.352 0.573 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000798402866 613056630 /nfs/dbraw/zinc/05/66/30/613056630.db2.gz ANEOKVNPMSULEI-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000798402866 613056631 /nfs/dbraw/zinc/05/66/31/613056631.db2.gz ANEOKVNPMSULEI-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000840297377 613059803 /nfs/dbraw/zinc/05/98/03/613059803.db2.gz JTAMKZUMSMQQSM-GHMZBOCLSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000840297377 613059804 /nfs/dbraw/zinc/05/98/04/613059804.db2.gz JTAMKZUMSMQQSM-GHMZBOCLSA-N 1 2 264.329 0.456 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000863802362 613065715 /nfs/dbraw/zinc/06/57/15/613065715.db2.gz LAYXYKDBLAMOOC-NWDGAFQWSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000848220975 613067851 /nfs/dbraw/zinc/06/78/51/613067851.db2.gz OHGZPRZNXFRCGU-JTQLQIEISA-N 1 2 252.314 0.009 20 30 CCEDLO C#CC[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927654446 613076318 /nfs/dbraw/zinc/07/63/18/613076318.db2.gz SJJLLRBMOSDWSW-NXEZZACHSA-N 1 2 258.281 0.142 20 30 CCEDLO C#C[C@@H](NC(=O)CNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000907488715 613092280 /nfs/dbraw/zinc/09/22/80/613092280.db2.gz SKMYZDFGRWLAFT-VXGBXAGGSA-N 1 2 259.309 0.791 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000912402113 613103925 /nfs/dbraw/zinc/10/39/25/613103925.db2.gz YXOSIRBWPZAMFQ-UHFFFAOYSA-N 1 2 277.324 0.756 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000855493961 613104340 /nfs/dbraw/zinc/10/43/40/613104340.db2.gz QVPWWJLEXVKKFS-UHFFFAOYSA-N 1 2 277.324 0.687 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000847021737 613106617 /nfs/dbraw/zinc/10/66/17/613106617.db2.gz OHWYVDCTQHMOBI-LLVKDONJSA-N 1 2 256.309 0.868 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000847021737 613106618 /nfs/dbraw/zinc/10/66/18/613106618.db2.gz OHWYVDCTQHMOBI-LLVKDONJSA-N 1 2 256.309 0.868 20 30 CCEDLO C#CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)C ZINC000932388617 613109077 /nfs/dbraw/zinc/10/90/77/613109077.db2.gz PXQXWAUJMICZQD-UHFFFAOYSA-N 1 2 259.313 0.913 20 30 CCEDLO C#CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)C ZINC000932388617 613109079 /nfs/dbraw/zinc/10/90/79/613109079.db2.gz PXQXWAUJMICZQD-UHFFFAOYSA-N 1 2 259.313 0.913 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCO[C@@](C)(C3CC3)C2)C1=O ZINC000849180402 613109403 /nfs/dbraw/zinc/10/94/03/613109403.db2.gz IUZRFMRRIHIPHG-SWLSCSKDSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCO[C@@](C)(C3CC3)C2)C1=O ZINC000849180402 613109406 /nfs/dbraw/zinc/10/94/06/613109406.db2.gz IUZRFMRRIHIPHG-SWLSCSKDSA-N 1 2 276.336 0.248 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000838270772 613111400 /nfs/dbraw/zinc/11/14/00/613111400.db2.gz GKBCYURLQKQNJX-LLVKDONJSA-N 1 2 255.277 0.809 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)C1 ZINC000941536667 613115680 /nfs/dbraw/zinc/11/56/80/613115680.db2.gz AQVQBXVYVUJOPN-UONOGXRCSA-N 1 2 293.386 0.586 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]cc3C)CC2)C1 ZINC000941666323 613115731 /nfs/dbraw/zinc/11/57/31/613115731.db2.gz VBFJBFQAYSSJTO-UHFFFAOYSA-N 1 2 286.379 0.398 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC3(C)C)CC2)C1 ZINC000941527848 613115764 /nfs/dbraw/zinc/11/57/64/613115764.db2.gz AGCWKGOHDXUANS-OAHLLOKOSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3conc3C)CC2)C1 ZINC000941543426 613116420 /nfs/dbraw/zinc/11/64/20/613116420.db2.gz MIOLYFAVXVFXFS-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000968874402 613148456 /nfs/dbraw/zinc/14/84/56/613148456.db2.gz KUODPUGMPHVPOH-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC000968874402 613148459 /nfs/dbraw/zinc/14/84/59/613148459.db2.gz KUODPUGMPHVPOH-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 ZINC000981619096 613157188 /nfs/dbraw/zinc/15/71/88/613157188.db2.gz NLBYPGWQHPVMES-UHFFFAOYSA-N 1 2 289.335 0.165 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 ZINC000981619096 613157190 /nfs/dbraw/zinc/15/71/90/613157190.db2.gz NLBYPGWQHPVMES-UHFFFAOYSA-N 1 2 289.335 0.165 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC000848492964 613158662 /nfs/dbraw/zinc/15/86/62/613158662.db2.gz ICWINDRGRWHXKX-NSHDSACASA-N 1 2 277.324 0.490 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCC)C2=O)C1 ZINC000848492964 613158665 /nfs/dbraw/zinc/15/86/65/613158665.db2.gz ICWINDRGRWHXKX-NSHDSACASA-N 1 2 277.324 0.490 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000981401380 613159142 /nfs/dbraw/zinc/15/91/42/613159142.db2.gz NAQFXSBSDSXDOL-UHFFFAOYSA-N 1 2 287.363 0.475 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000981401380 613159143 /nfs/dbraw/zinc/15/91/43/613159143.db2.gz NAQFXSBSDSXDOL-UHFFFAOYSA-N 1 2 287.363 0.475 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC000891606971 613164663 /nfs/dbraw/zinc/16/46/63/613164663.db2.gz KKVRYJXJIICEQL-LLVKDONJSA-N 1 2 290.323 0.135 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC000891606971 613164665 /nfs/dbraw/zinc/16/46/65/613164665.db2.gz KKVRYJXJIICEQL-LLVKDONJSA-N 1 2 290.323 0.135 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C(=O)CC)CC2)C1 ZINC000923558091 613165064 /nfs/dbraw/zinc/16/50/64/613165064.db2.gz VXKQZVOTBGJWML-GFCCVEGCSA-N 1 2 262.353 0.960 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C(=O)CC)CC2)C1 ZINC000923558091 613165066 /nfs/dbraw/zinc/16/50/66/613165066.db2.gz VXKQZVOTBGJWML-GFCCVEGCSA-N 1 2 262.353 0.960 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC000981731465 613168561 /nfs/dbraw/zinc/16/85/61/613168561.db2.gz JYQDTTLCHTWGSC-CYBMUJFWSA-N 1 2 299.374 0.690 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC000981731465 613168562 /nfs/dbraw/zinc/16/85/62/613168562.db2.gz JYQDTTLCHTWGSC-CYBMUJFWSA-N 1 2 299.374 0.690 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000923566270 613173878 /nfs/dbraw/zinc/17/38/78/613173878.db2.gz OPKNIVLTUFRDOL-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000923566270 613173880 /nfs/dbraw/zinc/17/38/80/613173880.db2.gz OPKNIVLTUFRDOL-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cnn2C)C1 ZINC000885508580 613175886 /nfs/dbraw/zinc/17/58/86/613175886.db2.gz ITJKXVQDMAKDSZ-GFCCVEGCSA-N 1 2 296.396 0.104 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cnn2C)C1 ZINC000885508580 613175887 /nfs/dbraw/zinc/17/58/87/613175887.db2.gz ITJKXVQDMAKDSZ-GFCCVEGCSA-N 1 2 296.396 0.104 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC(F)(F)F)C1 ZINC000885509017 613175923 /nfs/dbraw/zinc/17/59/23/613175923.db2.gz OICDPLZMADAAEL-SNVBAGLBSA-N 1 2 298.330 0.956 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC(F)(F)F)C1 ZINC000885509017 613175924 /nfs/dbraw/zinc/17/59/24/613175924.db2.gz OICDPLZMADAAEL-SNVBAGLBSA-N 1 2 298.330 0.956 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C=O)cn2C)C1 ZINC000923558189 613191054 /nfs/dbraw/zinc/19/10/54/613191054.db2.gz XGRYDBXKSZKKGE-ZDUSSCGKSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C=O)cn2C)C1 ZINC000923558189 613191056 /nfs/dbraw/zinc/19/10/56/613191056.db2.gz XGRYDBXKSZKKGE-ZDUSSCGKSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnc(C)s2)C1 ZINC000902731519 613192126 /nfs/dbraw/zinc/19/21/26/613192126.db2.gz ZRVAIUWZYWIWCP-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnc(C)s2)C1 ZINC000902731519 613192127 /nfs/dbraw/zinc/19/21/27/613192127.db2.gz ZRVAIUWZYWIWCP-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccoc1C(=O)OC ZINC000855872296 613199848 /nfs/dbraw/zinc/19/98/48/613199848.db2.gz YVTFYGXFDPRFJB-LBPRGKRZSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccoc1C(=O)OC ZINC000855872296 613199850 /nfs/dbraw/zinc/19/98/50/613199850.db2.gz YVTFYGXFDPRFJB-LBPRGKRZSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nccnc1Cl ZINC000868239386 613200808 /nfs/dbraw/zinc/20/08/08/613200808.db2.gz NWZNOSPPVIDFQV-NSHDSACASA-N 1 2 278.743 0.844 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nccnc1Cl ZINC000868239386 613200809 /nfs/dbraw/zinc/20/08/09/613200809.db2.gz NWZNOSPPVIDFQV-NSHDSACASA-N 1 2 278.743 0.844 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000827435308 613203755 /nfs/dbraw/zinc/20/37/55/613203755.db2.gz YYCPWPJMOJCZJP-HNNXBMFYSA-N 1 2 288.347 0.954 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2COCCO2)c1 ZINC000827435308 613203756 /nfs/dbraw/zinc/20/37/56/613203756.db2.gz YYCPWPJMOJCZJP-HNNXBMFYSA-N 1 2 288.347 0.954 20 30 CCEDLO C#CC[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000823850508 613209884 /nfs/dbraw/zinc/20/98/84/613209884.db2.gz PUXTYZQMICVLFI-UHFFFAOYSA-N 1 2 269.312 0.017 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334008 613211257 /nfs/dbraw/zinc/21/12/57/613211257.db2.gz UEDQVRHEGZMZRN-XUJLQICISA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334008 613211259 /nfs/dbraw/zinc/21/12/59/613211259.db2.gz UEDQVRHEGZMZRN-XUJLQICISA-N 1 2 276.380 0.969 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000807436244 613211625 /nfs/dbraw/zinc/21/16/25/613211625.db2.gz OBCVPUTWRJKGAX-CYBMUJFWSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326318 613212020 /nfs/dbraw/zinc/21/20/20/613212020.db2.gz FHJCULIWTVJXAV-DTHCKZEYSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326318 613212021 /nfs/dbraw/zinc/21/20/21/613212021.db2.gz FHJCULIWTVJXAV-DTHCKZEYSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972372845 613212528 /nfs/dbraw/zinc/21/25/28/613212528.db2.gz FGQUCXNYFPJRMS-WCQYABFASA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972372845 613212531 /nfs/dbraw/zinc/21/25/31/613212531.db2.gz FGQUCXNYFPJRMS-WCQYABFASA-N 1 2 284.306 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972678670 613213220 /nfs/dbraw/zinc/21/32/20/613213220.db2.gz XJEMRLWEEPJOQF-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972678670 613213221 /nfs/dbraw/zinc/21/32/21/613213221.db2.gz XJEMRLWEEPJOQF-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO C/C(=C/C(=O)N(C)C[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000900329164 613228090 /nfs/dbraw/zinc/22/80/90/613228090.db2.gz LPNKZBSFWIQRES-FSBNRTBOSA-N 1 2 265.357 0.883 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C=C)C(=O)OC)CC1 ZINC000800336628 613323482 /nfs/dbraw/zinc/32/34/82/613323482.db2.gz XCUARCLAWKWVHX-LBPRGKRZSA-N 1 2 264.325 0.175 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000815080678 613325123 /nfs/dbraw/zinc/32/51/23/613325123.db2.gz HVEIEHUGHAMCLR-CYBMUJFWSA-N 1 2 290.367 0.539 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000815080678 613325124 /nfs/dbraw/zinc/32/51/24/613325124.db2.gz HVEIEHUGHAMCLR-CYBMUJFWSA-N 1 2 290.367 0.539 20 30 CCEDLO C#CCNC(=O)CN1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671768 613328723 /nfs/dbraw/zinc/32/87/23/613328723.db2.gz CNMHZJLLKUFXSM-UHFFFAOYSA-N 1 2 274.368 0.955 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000846921240 613328885 /nfs/dbraw/zinc/32/88/85/613328885.db2.gz QRXNCIHNXFRRFS-UHFFFAOYSA-N 1 2 255.321 0.920 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000846921240 613328886 /nfs/dbraw/zinc/32/88/86/613328886.db2.gz QRXNCIHNXFRRFS-UHFFFAOYSA-N 1 2 255.321 0.920 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872316645 613329597 /nfs/dbraw/zinc/32/95/97/613329597.db2.gz ZVYROYRYBQFEPG-UHFFFAOYSA-N 1 2 258.325 0.083 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872316645 613329598 /nfs/dbraw/zinc/32/95/98/613329598.db2.gz ZVYROYRYBQFEPG-UHFFFAOYSA-N 1 2 258.325 0.083 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000007115333 613329602 /nfs/dbraw/zinc/32/96/02/613329602.db2.gz VUQYTBOKLDHDMV-UHFFFAOYSA-N 1 2 257.337 0.558 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815293600 613330041 /nfs/dbraw/zinc/33/00/41/613330041.db2.gz IYLRCNAVDKKZTM-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815293600 613330043 /nfs/dbraw/zinc/33/00/43/613330043.db2.gz IYLRCNAVDKKZTM-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931102788 613330262 /nfs/dbraw/zinc/33/02/62/613330262.db2.gz WGEZYJZJZSFVNP-UHFFFAOYSA-N 1 2 288.351 0.023 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931102788 613330263 /nfs/dbraw/zinc/33/02/63/613330263.db2.gz WGEZYJZJZSFVNP-UHFFFAOYSA-N 1 2 288.351 0.023 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875381558 613352046 /nfs/dbraw/zinc/35/20/46/613352046.db2.gz AQEXYBHEQZSWPY-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875381558 613352047 /nfs/dbraw/zinc/35/20/47/613352047.db2.gz AQEXYBHEQZSWPY-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000883271213 613354674 /nfs/dbraw/zinc/35/46/74/613354674.db2.gz IEDDAAVPPQFJNJ-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000883271213 613354675 /nfs/dbraw/zinc/35/46/75/613354675.db2.gz IEDDAAVPPQFJNJ-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909025491 613361393 /nfs/dbraw/zinc/36/13/93/613361393.db2.gz QVONRUYIPXHDDZ-XGUBFFRZSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909025491 613361394 /nfs/dbraw/zinc/36/13/94/613361394.db2.gz QVONRUYIPXHDDZ-XGUBFFRZSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000969790352 613371520 /nfs/dbraw/zinc/37/15/20/613371520.db2.gz WCUDWALFUMVHQE-MNOVXSKESA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981745250 613373550 /nfs/dbraw/zinc/37/35/50/613373550.db2.gz SIVGKVZJCBMPTN-VXGBXAGGSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000981745250 613373551 /nfs/dbraw/zinc/37/35/51/613373551.db2.gz SIVGKVZJCBMPTN-VXGBXAGGSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672467 613381334 /nfs/dbraw/zinc/38/13/34/613381334.db2.gz LLOGVBDLVDRZGN-PWSUYJOCSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672467 613381335 /nfs/dbraw/zinc/38/13/35/613381335.db2.gz LLOGVBDLVDRZGN-PWSUYJOCSA-N 1 2 298.774 0.195 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925591565 613402615 /nfs/dbraw/zinc/40/26/15/613402615.db2.gz BVIASTAUCMQVLN-ZIAGYGMSSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)C(=O)OC ZINC000905764938 613405513 /nfs/dbraw/zinc/40/55/13/613405513.db2.gz VPPFOYJCZNVFNB-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000878106156 613411095 /nfs/dbraw/zinc/41/10/95/613411095.db2.gz IJSNHVRTCAEDJY-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000878106156 613411097 /nfs/dbraw/zinc/41/10/97/613411097.db2.gz IJSNHVRTCAEDJY-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925595139 613417398 /nfs/dbraw/zinc/41/73/98/613417398.db2.gz NSEKQNIORZIHQN-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)C(=O)OC ZINC000905768108 613418991 /nfs/dbraw/zinc/41/89/91/613418991.db2.gz QRFHITKMHXDECG-NEPJUHHUSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CCC1(O)CC[NH+](CN2C[C@]3(CCCOC3)C2=O)CC1 ZINC000902374382 613460139 /nfs/dbraw/zinc/46/01/39/613460139.db2.gz LCJFCSUQFRZMJQ-HNNXBMFYSA-N 1 2 294.395 0.986 20 30 CCEDLO C=CCC1(O)CC[NH+]([C@H]2CON(CC)C2=O)CC1 ZINC000886776331 613460611 /nfs/dbraw/zinc/46/06/11/613460611.db2.gz CPIADIXIBDYLAB-NSHDSACASA-N 1 2 254.330 0.552 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838116489 613460810 /nfs/dbraw/zinc/46/08/10/613460810.db2.gz VFSCYDYPEYLQHQ-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838116489 613460812 /nfs/dbraw/zinc/46/08/12/613460812.db2.gz VFSCYDYPEYLQHQ-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@H](C)ONC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000845623058 613484649 /nfs/dbraw/zinc/48/46/49/613484649.db2.gz OWVMJINOKMDECD-RYUDHWBXSA-N 1 2 271.361 0.855 20 30 CCEDLO CC#CCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870064060 613520625 /nfs/dbraw/zinc/52/06/25/613520625.db2.gz BCTUKWVTHKCCFN-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO CC#CCN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957514801 613561780 /nfs/dbraw/zinc/56/17/80/613561780.db2.gz WCIORQJNXXJRIM-UHFFFAOYSA-N 1 2 274.368 0.520 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950434006 613565251 /nfs/dbraw/zinc/56/52/51/613565251.db2.gz UAKLPSIBYCLSDH-CYBMUJFWSA-N 1 2 286.379 0.997 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)CC=C)nn1 ZINC000850244513 613599362 /nfs/dbraw/zinc/59/93/62/613599362.db2.gz VCAXWDMDFMDQHZ-UHFFFAOYSA-N 1 2 284.385 0.545 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nn(CC)nc2C)nn1 ZINC000881378138 613645189 /nfs/dbraw/zinc/64/51/89/613645189.db2.gz GIESZCXRPYARPX-UHFFFAOYSA-N 1 2 273.344 0.359 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2C(=O)OCC2(C)C)nn1 ZINC000905066281 613645376 /nfs/dbraw/zinc/64/53/76/613645376.db2.gz XFWLHKONQHEZTD-LLVKDONJSA-N 1 2 262.313 0.515 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000950697585 613653514 /nfs/dbraw/zinc/65/35/14/613653514.db2.gz VIBUZHNIPPYCLI-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCNC2=O)C1 ZINC000950549402 613653771 /nfs/dbraw/zinc/65/37/71/613653771.db2.gz DFOXCHVDENGKTC-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000951726610 613655044 /nfs/dbraw/zinc/65/50/44/613655044.db2.gz ZKBXKZLJMPQOBN-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2C(N)=O)CC1 ZINC000949597230 613710115 /nfs/dbraw/zinc/71/01/15/613710115.db2.gz OXNNRUAXHPTYSH-UHFFFAOYSA-N 1 2 287.363 0.658 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 ZINC000950618014 613710582 /nfs/dbraw/zinc/71/05/82/613710582.db2.gz ODHMMKGLAUOWKQ-RYUDHWBXSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)CC1 ZINC000957731015 613710644 /nfs/dbraw/zinc/71/06/44/613710644.db2.gz WASZXNROUBWYMX-OAHLLOKOSA-N 1 2 293.411 0.427 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000950617960 613711757 /nfs/dbraw/zinc/71/17/57/613711757.db2.gz LAIUCUDYEYQSAN-UPJWGTAASA-N 1 2 250.342 0.884 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000949424275 613713395 /nfs/dbraw/zinc/71/33/95/613713395.db2.gz PIZAFJCCRCUCAS-ZDUSSCGKSA-N 1 2 289.383 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC000957928326 613715036 /nfs/dbraw/zinc/71/50/36/613715036.db2.gz ADVGFWBVYGJUCE-UHFFFAOYSA-N 1 2 262.357 0.926 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC000948828718 613718168 /nfs/dbraw/zinc/71/81/68/613718168.db2.gz NVDSFWALJGZWGL-UHFFFAOYSA-N 1 2 260.341 0.773 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)CCOCCOC)C1=O ZINC000840071379 613719545 /nfs/dbraw/zinc/71/95/45/613719545.db2.gz CYPVBYJAJYVDQO-UHFFFAOYSA-N 1 2 271.361 0.462 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)CCOCCOC)C1=O ZINC000840071379 613719548 /nfs/dbraw/zinc/71/95/48/613719548.db2.gz CYPVBYJAJYVDQO-UHFFFAOYSA-N 1 2 271.361 0.462 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@H](NC(=O)OC)C2)C1=O ZINC000884483971 613720843 /nfs/dbraw/zinc/72/08/43/613720843.db2.gz DOTZRORBIHHICZ-NSHDSACASA-N 1 2 282.344 0.298 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](NC(=O)OC)C2)C1=O ZINC000884483971 613720845 /nfs/dbraw/zinc/72/08/45/613720845.db2.gz DOTZRORBIHHICZ-NSHDSACASA-N 1 2 282.344 0.298 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000972389817 613723658 /nfs/dbraw/zinc/72/36/58/613723658.db2.gz YLNJJZDUKZSJCE-BPUTZDHNSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000972389817 613723659 /nfs/dbraw/zinc/72/36/59/613723659.db2.gz YLNJJZDUKZSJCE-BPUTZDHNSA-N 1 2 292.379 0.512 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1=O ZINC000798396009 613763761 /nfs/dbraw/zinc/76/37/61/613763761.db2.gz QEXFRBPFUDPWAH-MWLCHTKSSA-N 1 2 276.344 0.446 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC000805470673 613803588 /nfs/dbraw/zinc/80/35/88/613803588.db2.gz SOTLTAZJBHCWOS-RYUDHWBXSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC000805470673 613803589 /nfs/dbraw/zinc/80/35/89/613803589.db2.gz SOTLTAZJBHCWOS-RYUDHWBXSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@H](O[NH+]=C(N)Cc2cccnc2)C1=O ZINC000809998869 613805048 /nfs/dbraw/zinc/80/50/48/613805048.db2.gz WQMWMTCUAZGGNQ-LBPRGKRZSA-N 1 2 274.324 0.909 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879758425 613845346 /nfs/dbraw/zinc/84/53/46/613845346.db2.gz SAQFXHWYCMIODE-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879758425 613845347 /nfs/dbraw/zinc/84/53/47/613845347.db2.gz SAQFXHWYCMIODE-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845442642 613854749 /nfs/dbraw/zinc/85/47/49/613854749.db2.gz OBDFGRQLDDGBIW-WDEREUQCSA-N 1 2 260.297 0.845 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H](C)CC ZINC000884400298 613878257 /nfs/dbraw/zinc/87/82/57/613878257.db2.gz BYTGZUHORCXHKR-MNOVXSKESA-N 1 2 256.346 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CC(C)C ZINC000884091378 613877478 /nfs/dbraw/zinc/87/74/78/613877478.db2.gz VZPQYCVIUCQLAU-NSHDSACASA-N 1 2 256.346 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](OC)C1 ZINC000884088432 613877665 /nfs/dbraw/zinc/87/76/65/613877665.db2.gz JNQJSZDBTHRQOY-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1ccccn1 ZINC000884395988 613878463 /nfs/dbraw/zinc/87/84/63/613878463.db2.gz QKMWFNPVKDVJOE-RYUDHWBXSA-N 1 2 291.351 0.748 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000884406910 613878467 /nfs/dbraw/zinc/87/84/67/613878467.db2.gz LHDQEZZEXAEEAP-UTUOFQBUSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)C1CCOCC1 ZINC000884163868 613878495 /nfs/dbraw/zinc/87/84/95/613878495.db2.gz RIXLWAGCNPSTGL-STQMWFEESA-N 1 2 298.383 0.754 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)C)no1 ZINC000904105440 613878875 /nfs/dbraw/zinc/87/88/75/613878875.db2.gz HUCBQRLMAYGMHF-QMMMGPOBSA-N 1 2 253.302 0.966 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898887539 613879780 /nfs/dbraw/zinc/87/97/80/613879780.db2.gz LOTIGGKEYUUKQW-NSHDSACASA-N 1 2 267.329 0.553 20 30 CCEDLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000878761889 614017623 /nfs/dbraw/zinc/01/76/23/614017623.db2.gz QSUFAFCEMWTUEJ-CYBMUJFWSA-N 1 2 288.413 0.940 20 30 CCEDLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000878761889 614017625 /nfs/dbraw/zinc/01/76/25/614017625.db2.gz QSUFAFCEMWTUEJ-CYBMUJFWSA-N 1 2 288.413 0.940 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825130461 614071825 /nfs/dbraw/zinc/07/18/25/614071825.db2.gz AKOGENDXCWVGSP-GFCCVEGCSA-N 1 2 275.356 0.645 20 30 CCEDLO CC(C)CS(=O)(=O)CCC(=O)NCC#CC[NH+](C)C ZINC000913517242 614176355 /nfs/dbraw/zinc/17/63/55/614176355.db2.gz YWDQPEVETIWCDM-UHFFFAOYSA-N 1 2 288.413 0.129 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000913824483 614287450 /nfs/dbraw/zinc/28/74/50/614287450.db2.gz RADBXSVMEZCUKS-UHFFFAOYSA-N 1 2 270.358 0.742 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941127840 614604790 /nfs/dbraw/zinc/60/47/90/614604790.db2.gz WNFAFJHVRUFNKP-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO CCN(CC)C(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801911798 614966490 /nfs/dbraw/zinc/96/64/90/614966490.db2.gz TUVYGHLDDIPPFX-CQSZACIVSA-N 1 2 296.415 0.401 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589826 615061556 /nfs/dbraw/zinc/06/15/56/615061556.db2.gz FJOJGFHWDCJWLZ-STQMWFEESA-N 1 2 296.415 0.826 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589826 615061557 /nfs/dbraw/zinc/06/15/57/615061557.db2.gz FJOJGFHWDCJWLZ-STQMWFEESA-N 1 2 296.415 0.826 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000907184164 615161378 /nfs/dbraw/zinc/16/13/78/615161378.db2.gz HTLONCTXTGSFRP-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000907184164 615161380 /nfs/dbraw/zinc/16/13/80/615161380.db2.gz HTLONCTXTGSFRP-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CCOC(=O)C1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000027342757 615167137 /nfs/dbraw/zinc/16/71/37/615167137.db2.gz VDYIMOBRSHJOMF-UHFFFAOYSA-N 1 2 267.329 0.291 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000874707412 615569345 /nfs/dbraw/zinc/56/93/45/615569345.db2.gz AOGZDVPSLVYSAD-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000874707412 615569346 /nfs/dbraw/zinc/56/93/46/615569346.db2.gz AOGZDVPSLVYSAD-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456581 615599693 /nfs/dbraw/zinc/59/96/93/615599693.db2.gz MAIRNEJGAMAEPH-PWSUYJOCSA-N 1 2 261.329 0.443 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874710101 615599815 /nfs/dbraw/zinc/59/98/15/615599815.db2.gz FHUMXYRLRXQBFE-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874710101 615599816 /nfs/dbraw/zinc/59/98/16/615599816.db2.gz FHUMXYRLRXQBFE-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899063615 615599824 /nfs/dbraw/zinc/59/98/24/615599824.db2.gz IALNRKJQRIJTHB-LLVKDONJSA-N 1 2 267.329 0.101 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899063615 615599825 /nfs/dbraw/zinc/59/98/25/615599825.db2.gz IALNRKJQRIJTHB-LLVKDONJSA-N 1 2 267.329 0.101 20 30 CCEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cn(CC(=O)OC)nn1 ZINC000905086791 615630829 /nfs/dbraw/zinc/63/08/29/615630829.db2.gz YWJQAOXQKIYFKX-SNAWJCMRSA-N 1 2 289.295 0.564 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000933225214 615873032 /nfs/dbraw/zinc/87/30/32/615873032.db2.gz OCOXPRVFSMTDQT-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000933225214 615873034 /nfs/dbraw/zinc/87/30/34/615873034.db2.gz OCOXPRVFSMTDQT-LBPRGKRZSA-N 1 2 280.372 0.349 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)CC#N ZINC000874710364 615927112 /nfs/dbraw/zinc/92/71/12/615927112.db2.gz PEVANZTVEFEIHU-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)CC#N ZINC000874710364 615927114 /nfs/dbraw/zinc/92/71/14/615927114.db2.gz PEVANZTVEFEIHU-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905946421 615974175 /nfs/dbraw/zinc/97/41/75/615974175.db2.gz GVBKFCRAIWBFJR-LBPRGKRZSA-N 1 2 295.383 0.220 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946775 616011714 /nfs/dbraw/zinc/01/17/14/616011714.db2.gz VXVFDWQZZDLVBU-OCCSQVGLSA-N 1 2 288.351 0.045 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946775 616011716 /nfs/dbraw/zinc/01/17/16/616011716.db2.gz VXVFDWQZZDLVBU-OCCSQVGLSA-N 1 2 288.351 0.045 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308069 616040299 /nfs/dbraw/zinc/04/02/99/616040299.db2.gz PZKKMFGDEYZSJT-VXGBXAGGSA-N 1 2 287.367 0.886 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2coc(C=O)c2)CC1 ZINC000932178006 616166028 /nfs/dbraw/zinc/16/60/28/616166028.db2.gz HLYIXOFNUBHOGL-UHFFFAOYSA-N 1 2 261.281 0.810 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)cc[nH]2)CC1 ZINC000932177679 616166118 /nfs/dbraw/zinc/16/61/18/616166118.db2.gz CJQQMPBGAFUQQY-UHFFFAOYSA-N 1 2 260.297 0.093 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1CO ZINC000913543472 616229512 /nfs/dbraw/zinc/22/95/12/616229512.db2.gz JBYBNIYDBDNQTP-LLVKDONJSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1CO ZINC000913543472 616229513 /nfs/dbraw/zinc/22/95/13/616229513.db2.gz JBYBNIYDBDNQTP-LLVKDONJSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](CO)C1 ZINC000912737391 616229867 /nfs/dbraw/zinc/22/98/67/616229867.db2.gz KVEOIHRWEDUFAA-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](CO)C1 ZINC000912737391 616229868 /nfs/dbraw/zinc/22/98/68/616229868.db2.gz KVEOIHRWEDUFAA-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000826709638 616518706 /nfs/dbraw/zinc/51/87/06/616518706.db2.gz NNVAWWGDLRBBMH-CYBMUJFWSA-N 1 2 296.334 0.453 20 30 CCEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000826709638 616518711 /nfs/dbraw/zinc/51/87/11/616518711.db2.gz NNVAWWGDLRBBMH-CYBMUJFWSA-N 1 2 296.334 0.453 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933780918 616561291 /nfs/dbraw/zinc/56/12/91/616561291.db2.gz YAYVYQHQQMPQIZ-UHFFFAOYSA-N 1 2 295.364 0.731 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933780918 616561293 /nfs/dbraw/zinc/56/12/93/616561293.db2.gz YAYVYQHQQMPQIZ-UHFFFAOYSA-N 1 2 295.364 0.731 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCO[C@H](C)C#N ZINC000879155818 616766803 /nfs/dbraw/zinc/76/68/03/616766803.db2.gz IUVDFNJLVXLUIA-MDZLAQPJSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCO[C@H](C)C#N ZINC000879155818 616766806 /nfs/dbraw/zinc/76/68/06/616766806.db2.gz IUVDFNJLVXLUIA-MDZLAQPJSA-N 1 2 270.329 0.567 20 30 CCEDLO COC[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000933337316 616805663 /nfs/dbraw/zinc/80/56/63/616805663.db2.gz UIYQYGMOBRSWLS-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H]1COCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000933337316 616805669 /nfs/dbraw/zinc/80/56/69/616805669.db2.gz UIYQYGMOBRSWLS-GJZGRUSLSA-N 1 2 276.336 0.939 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCO[C@@H](C)C#N ZINC000933163579 616806505 /nfs/dbraw/zinc/80/65/05/616806505.db2.gz FRTOLNHMKLRKQD-LOWVWBTDSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCO[C@@H](C)C#N ZINC000933163579 616806507 /nfs/dbraw/zinc/80/65/07/616806507.db2.gz FRTOLNHMKLRKQD-LOWVWBTDSA-N 1 2 252.314 0.943 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845440592 616897386 /nfs/dbraw/zinc/89/73/86/616897386.db2.gz TTZWMHKARWQWOU-RYUDHWBXSA-N 1 2 292.339 0.696 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845440590 616901348 /nfs/dbraw/zinc/90/13/48/616901348.db2.gz TTZWMHKARWQWOU-NWDGAFQWSA-N 1 2 292.339 0.696 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972253710 622734657 /nfs/dbraw/zinc/73/46/57/622734657.db2.gz RXJOQAVLIOGSSG-HNNXBMFYSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 ZINC000972253710 622734662 /nfs/dbraw/zinc/73/46/62/622734662.db2.gz RXJOQAVLIOGSSG-HNNXBMFYSA-N 1 2 273.336 0.565 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319920 622759560 /nfs/dbraw/zinc/75/95/60/622759560.db2.gz MYOHDUIDFYXVDP-CJNGLKHVSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319920 622759564 /nfs/dbraw/zinc/75/95/64/622759564.db2.gz MYOHDUIDFYXVDP-CJNGLKHVSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972510954 622910410 /nfs/dbraw/zinc/91/04/10/622910410.db2.gz QYYZYMVVZUYZFZ-HIFRSBDPSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972510954 622910414 /nfs/dbraw/zinc/91/04/14/622910414.db2.gz QYYZYMVVZUYZFZ-HIFRSBDPSA-N 1 2 282.359 0.917 20 30 CCEDLO O=C(NCC#CCO)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000923782897 623472089 /nfs/dbraw/zinc/47/20/89/623472089.db2.gz TXRQQGWVVFMMQG-LLVKDONJSA-N 1 2 262.313 0.294 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571672 624531265 /nfs/dbraw/zinc/53/12/65/624531265.db2.gz SKMMFCOVZQOBRC-DCAQKATOSA-N 1 2 273.340 0.590 20 30 CCEDLO O=C1CCN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902607278 634411516 /nfs/dbraw/zinc/41/15/16/634411516.db2.gz HGAAUWSTKKEWPH-UHFFFAOYSA-N 1 2 250.298 0.514 20 30 CCEDLO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000093697272 624873364 /nfs/dbraw/zinc/87/33/64/624873364.db2.gz DGSVLLRQKVDNAG-OLZOCXBDSA-N 1 2 285.413 0.894 20 30 CCEDLO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000093697272 624873366 /nfs/dbraw/zinc/87/33/66/624873366.db2.gz DGSVLLRQKVDNAG-OLZOCXBDSA-N 1 2 285.413 0.894 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311645 624921069 /nfs/dbraw/zinc/92/10/69/624921069.db2.gz UZKWDIMHVCDRKH-SDDRHHMPSA-N 1 2 273.340 0.206 20 30 CCEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000968128096 650007817 /nfs/dbraw/zinc/00/78/17/650007817.db2.gz GFDDKWQLUGNTRY-HIFRSBDPSA-N 1 2 299.374 0.350 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000968128096 650007818 /nfs/dbraw/zinc/00/78/18/650007818.db2.gz GFDDKWQLUGNTRY-HIFRSBDPSA-N 1 2 299.374 0.350 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000968627120 650024591 /nfs/dbraw/zinc/02/45/91/650024591.db2.gz OFIYDZQEJLQPTC-LLVKDONJSA-N 1 2 260.297 0.174 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968697549 650026064 /nfs/dbraw/zinc/02/60/64/650026064.db2.gz GXJDKBNEOXWLEY-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cc3n(n2)CCC3)CCCN1O ZINC000895156980 631987788 /nfs/dbraw/zinc/98/77/88/631987788.db2.gz JQRPFDXVZIBUCQ-NSHDSACASA-N 1 2 250.302 0.299 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)CCCN1O ZINC000895157736 631991390 /nfs/dbraw/zinc/99/13/90/631991390.db2.gz SJBWGEHZLHJULB-LBPRGKRZSA-N 1 2 264.329 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007095458 650066007 /nfs/dbraw/zinc/06/60/07/650066007.db2.gz ASXTXKIZIPOGCI-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001007095458 650066008 /nfs/dbraw/zinc/06/60/08/650066008.db2.gz ASXTXKIZIPOGCI-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658552 633339989 /nfs/dbraw/zinc/33/99/89/633339989.db2.gz ZLXLTAORMCATPN-NXEZZACHSA-N 1 2 283.763 0.679 20 30 CCEDLO CC(C)OC1C[NH+](C[C@@H](O)CN(C)CCC#N)C1 ZINC000899901090 633920050 /nfs/dbraw/zinc/92/00/50/633920050.db2.gz CZFKOKLHDZSTQT-LBPRGKRZSA-N 1 2 255.362 0.302 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001009134555 650137872 /nfs/dbraw/zinc/13/78/72/650137872.db2.gz WPTQGYKXZJRISN-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001009134555 650137874 /nfs/dbraw/zinc/13/78/74/650137874.db2.gz WPTQGYKXZJRISN-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO Cn1nccc1N[NH+]=C1CCCc2nc(N)ncc21 ZINC000901220529 634210897 /nfs/dbraw/zinc/21/08/97/634210897.db2.gz MECIMKBKKZDZNP-UHFFFAOYSA-N 1 2 257.301 0.945 20 30 CCEDLO C[C@@H](CC#N)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906459411 634997768 /nfs/dbraw/zinc/99/77/68/634997768.db2.gz LYJMLHFRXJXGLI-ZDUSSCGKSA-N 1 2 290.367 0.852 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cn2)CC[N@H+]1C ZINC000907089241 635074035 /nfs/dbraw/zinc/07/40/35/635074035.db2.gz KSSDYLAMJYUBRW-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000907089241 635074040 /nfs/dbraw/zinc/07/40/40/635074040.db2.gz KSSDYLAMJYUBRW-MNOVXSKESA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000907851989 635223836 /nfs/dbraw/zinc/22/38/36/635223836.db2.gz GNZASNVIFPYOOG-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010570817 650243925 /nfs/dbraw/zinc/24/39/25/650243925.db2.gz RVMBIGBMUHPVQX-WDEREUQCSA-N 1 2 286.759 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001010570817 650243927 /nfs/dbraw/zinc/24/39/27/650243927.db2.gz RVMBIGBMUHPVQX-WDEREUQCSA-N 1 2 286.759 0.883 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676564 650252611 /nfs/dbraw/zinc/25/26/11/650252611.db2.gz PSZZKHRQHJIJID-MNOVXSKESA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676564 650252614 /nfs/dbraw/zinc/25/26/14/650252614.db2.gz PSZZKHRQHJIJID-MNOVXSKESA-N 1 2 283.763 0.782 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011330154 650289938 /nfs/dbraw/zinc/28/99/38/650289938.db2.gz JJSKUQXJZMUANR-UHFFFAOYSA-N 1 2 290.367 0.766 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001011844186 636887133 /nfs/dbraw/zinc/88/71/33/636887133.db2.gz OEXMFFFVIUWHJG-JTQLQIEISA-N 1 2 289.339 0.091 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C#N)CC2)CCO1 ZINC000057879518 636928920 /nfs/dbraw/zinc/92/89/20/636928920.db2.gz GHXOWXINPZXBLE-LLVKDONJSA-N 1 2 251.330 0.469 20 30 CCEDLO C#CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000173324700 637214288 /nfs/dbraw/zinc/21/42/88/637214288.db2.gz KZINTCOMYGYETA-UHFFFAOYSA-N 1 2 253.346 0.373 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011914311 650319993 /nfs/dbraw/zinc/31/99/93/650319993.db2.gz JYONVFMRQIESRF-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC000992344520 637371813 /nfs/dbraw/zinc/37/18/13/637371813.db2.gz HXEGUNHAGXCKLH-RISCZKNCSA-N 1 2 273.340 0.589 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829221 637616213 /nfs/dbraw/zinc/61/62/13/637616213.db2.gz DPRZYCVEZGXYMA-MRVWCRGKSA-N 1 2 287.367 0.692 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000186079265 638796488 /nfs/dbraw/zinc/79/64/88/638796488.db2.gz QIFJBELBRFCGFJ-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000186079265 638796489 /nfs/dbraw/zinc/79/64/89/638796489.db2.gz QIFJBELBRFCGFJ-LLVKDONJSA-N 1 2 253.346 0.418 20 30 CCEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC000996354406 638816593 /nfs/dbraw/zinc/81/65/93/638816593.db2.gz HKELMVSZLMUTGO-LLVKDONJSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC000999126563 638961125 /nfs/dbraw/zinc/96/11/25/638961125.db2.gz GSRNVMFQFPMHLY-CYBMUJFWSA-N 1 2 288.351 0.872 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538556 638984672 /nfs/dbraw/zinc/98/46/72/638984672.db2.gz YHTWQPWMTSZJIF-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001014725771 650482485 /nfs/dbraw/zinc/48/24/85/650482485.db2.gz SBCYUNFKQKQVTQ-NWDGAFQWSA-N 1 2 290.367 0.352 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001014725771 650482487 /nfs/dbraw/zinc/48/24/87/650482487.db2.gz SBCYUNFKQKQVTQ-NWDGAFQWSA-N 1 2 290.367 0.352 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001003606077 639577624 /nfs/dbraw/zinc/57/76/24/639577624.db2.gz HCQJLWVJRDQVPB-LBPRGKRZSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015404236 650563390 /nfs/dbraw/zinc/56/33/90/650563390.db2.gz OYZCAVBXIPEECP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015404236 650563392 /nfs/dbraw/zinc/56/33/92/650563392.db2.gz OYZCAVBXIPEECP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1cccn2c(CN=Nc3ccc(C(N)=O)nn3)c[nH+]c12 ZINC000755766003 640335852 /nfs/dbraw/zinc/33/58/52/640335852.db2.gz KWSVKTUWFHQWEL-UHFFFAOYSA-N 1 2 295.306 0.978 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000799136048 640546856 /nfs/dbraw/zinc/54/68/56/640546856.db2.gz JFSFRWOUMQVMEI-LLVKDONJSA-N 1 2 290.385 0.071 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000799136048 640546860 /nfs/dbraw/zinc/54/68/60/640546860.db2.gz JFSFRWOUMQVMEI-LLVKDONJSA-N 1 2 290.385 0.071 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)CCO[C@@H](C)C#N)no1 ZINC000801912625 640672604 /nfs/dbraw/zinc/67/26/04/640672604.db2.gz XROUQMMLTNTUAC-JTQLQIEISA-N 1 2 266.301 0.782 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)CCO[C@@H](C)C#N)no1 ZINC000801912625 640672608 /nfs/dbraw/zinc/67/26/08/640672608.db2.gz XROUQMMLTNTUAC-JTQLQIEISA-N 1 2 266.301 0.782 20 30 CCEDLO C[C@@H](C(=O)OCCCc1[nH+]ccn1C)n1cnc(C#N)n1 ZINC000802784730 640704443 /nfs/dbraw/zinc/70/44/43/640704443.db2.gz DUSNGBNUNVCFCE-JTQLQIEISA-N 1 2 288.311 0.620 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015661797 650603427 /nfs/dbraw/zinc/60/34/27/650603427.db2.gz HDSGROVYDORXNU-GWCFXTLKSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015661797 650603429 /nfs/dbraw/zinc/60/34/29/650603429.db2.gz HDSGROVYDORXNU-GWCFXTLKSA-N 1 2 285.775 0.598 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](CC[S@](C)=O)CC2)n1 ZINC000804497688 640770016 /nfs/dbraw/zinc/77/00/16/640770016.db2.gz HHVWUMKUSXCLTO-FQEVSTJZSA-N 1 2 293.396 0.157 20 30 CCEDLO N#C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCN1C1CC1 ZINC000806843392 640802814 /nfs/dbraw/zinc/80/28/14/640802814.db2.gz OPDOVSCKXFDICH-LBPRGKRZSA-N 1 2 273.340 0.541 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713468 650614474 /nfs/dbraw/zinc/61/44/74/650614474.db2.gz OVHDFZWXLFPADQ-VIFPVBQESA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713468 650614476 /nfs/dbraw/zinc/61/44/76/650614476.db2.gz OVHDFZWXLFPADQ-VIFPVBQESA-N 1 2 296.758 0.670 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000809572995 640899492 /nfs/dbraw/zinc/89/94/92/640899492.db2.gz VSSHQVSPQOCFOD-GFCCVEGCSA-N 1 2 290.323 0.991 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001015783835 650628574 /nfs/dbraw/zinc/62/85/74/650628574.db2.gz VZQVDQRWZBWIDJ-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001015783835 650628575 /nfs/dbraw/zinc/62/85/75/650628575.db2.gz VZQVDQRWZBWIDJ-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015873868 650643714 /nfs/dbraw/zinc/64/37/14/650643714.db2.gz MMUGZLNVXMCLNN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015873868 650643716 /nfs/dbraw/zinc/64/37/16/650643716.db2.gz MMUGZLNVXMCLNN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015873868 650643717 /nfs/dbraw/zinc/64/37/17/650643717.db2.gz MMUGZLNVXMCLNN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015873868 650643719 /nfs/dbraw/zinc/64/37/19/650643719.db2.gz MMUGZLNVXMCLNN-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO O=C(N[C@H]1CCCN(O)C1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820544650 641515006 /nfs/dbraw/zinc/51/50/06/641515006.db2.gz OJCTVTUHCRSZRT-JTQLQIEISA-N 1 2 274.280 0.673 20 30 CCEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(N)[nH+]c2)c1=O ZINC000821039043 641558156 /nfs/dbraw/zinc/55/81/56/641558156.db2.gz OICCTKHTILSJHZ-RQOWECAXSA-N 1 2 272.264 0.359 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016048520 650677647 /nfs/dbraw/zinc/67/76/47/650677647.db2.gz YKHZTURBJAXMDZ-STQMWFEESA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001016048520 650677652 /nfs/dbraw/zinc/67/76/52/650677652.db2.gz YKHZTURBJAXMDZ-STQMWFEESA-N 1 2 299.802 0.940 20 30 CCEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000834516163 642598921 /nfs/dbraw/zinc/59/89/21/642598921.db2.gz FUAATMWWUALAPD-GZMMTYOYSA-N 1 2 259.313 0.130 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1 ZINC001017401405 650799237 /nfs/dbraw/zinc/79/92/37/650799237.db2.gz JMCLVSLBXKXYDU-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1 ZINC001017401405 650799240 /nfs/dbraw/zinc/79/92/40/650799240.db2.gz JMCLVSLBXKXYDU-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001017414336 650800338 /nfs/dbraw/zinc/80/03/38/650800338.db2.gz HDLCFRABJPRJPG-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001017414336 650800339 /nfs/dbraw/zinc/80/03/39/650800339.db2.gz HDLCFRABJPRJPG-TXEJJXNPSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1 ZINC001017483503 650804844 /nfs/dbraw/zinc/80/48/44/650804844.db2.gz UIAFARIBQLBZGR-GASCZTMLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1 ZINC001017483503 650804845 /nfs/dbraw/zinc/80/48/45/650804845.db2.gz UIAFARIBQLBZGR-GASCZTMLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1CC ZINC001017641364 650815414 /nfs/dbraw/zinc/81/54/14/650815414.db2.gz JJYVSWUROUIWAB-BETUJISGSA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1CC ZINC001017641364 650815416 /nfs/dbraw/zinc/81/54/16/650815416.db2.gz JJYVSWUROUIWAB-BETUJISGSA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc[nH]c1=O ZINC001017647060 650816356 /nfs/dbraw/zinc/81/63/56/650816356.db2.gz KHLPHDKHDIRERM-TXEJJXNPSA-N 1 2 286.335 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc[nH]c1=O ZINC001017647060 650816358 /nfs/dbraw/zinc/81/63/58/650816358.db2.gz KHLPHDKHDIRERM-TXEJJXNPSA-N 1 2 286.335 0.494 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)cc1C ZINC001017719991 650819324 /nfs/dbraw/zinc/81/93/24/650819324.db2.gz UKBWGHJMAVNQCQ-GASCZTMLSA-N 1 2 286.379 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)cc1C ZINC001017719991 650819326 /nfs/dbraw/zinc/81/93/26/650819326.db2.gz UKBWGHJMAVNQCQ-GASCZTMLSA-N 1 2 286.379 0.808 20 30 CCEDLO N#CCCN1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844308490 643199609 /nfs/dbraw/zinc/19/96/09/643199609.db2.gz DFLRLNZCCQWJNV-ZDUSSCGKSA-N 1 2 278.356 0.501 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C(C)C ZINC001017890327 650833136 /nfs/dbraw/zinc/83/31/36/650833136.db2.gz GOEREWOBCJTCLZ-HZSPNIEDSA-N 1 2 264.369 0.966 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C(C)C ZINC001017890327 650833138 /nfs/dbraw/zinc/83/31/38/650833138.db2.gz GOEREWOBCJTCLZ-HZSPNIEDSA-N 1 2 264.369 0.966 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCNC1=O ZINC001017936273 650834959 /nfs/dbraw/zinc/83/49/59/650834959.db2.gz FZGZZQGVISBXJP-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCNC1=O ZINC001017936273 650834962 /nfs/dbraw/zinc/83/49/62/650834962.db2.gz FZGZZQGVISBXJP-ZENOOKHLSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001017962015 650837786 /nfs/dbraw/zinc/83/77/86/650837786.db2.gz UOVBBIZVUKACFC-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001017962015 650837790 /nfs/dbraw/zinc/83/77/90/650837790.db2.gz UOVBBIZVUKACFC-BETUJISGSA-N 1 2 272.352 0.949 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001018102110 650843713 /nfs/dbraw/zinc/84/37/13/650843713.db2.gz JKVSTDJEHJQGCN-YIYPIFLZSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001018102110 650843715 /nfs/dbraw/zinc/84/37/15/650843715.db2.gz JKVSTDJEHJQGCN-YIYPIFLZSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#C)cn1 ZINC001018186383 650847751 /nfs/dbraw/zinc/84/77/51/650847751.db2.gz ZXDAHRJJOUIZCX-GASCZTMLSA-N 1 2 279.343 0.985 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#C)cn1 ZINC001018186383 650847753 /nfs/dbraw/zinc/84/77/53/650847753.db2.gz ZXDAHRJJOUIZCX-GASCZTMLSA-N 1 2 279.343 0.985 20 30 CCEDLO NC(=[NH+]OC[C@@H]1COCCO1)c1ccc(F)cc1 ZINC000853645961 644132259 /nfs/dbraw/zinc/13/22/59/644132259.db2.gz JNGCKBLFIGXONM-NSHDSACASA-N 1 2 254.261 0.878 20 30 CCEDLO N#Cc1ccncc1N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854601399 644232447 /nfs/dbraw/zinc/23/24/47/644232447.db2.gz VUPWTXAKLCIFHF-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001019060998 650934498 /nfs/dbraw/zinc/93/44/98/650934498.db2.gz NSDQVOJVWCUMLJ-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139849 650941818 /nfs/dbraw/zinc/94/18/18/650941818.db2.gz XRDIWSKFXGSYGK-NSHDSACASA-N 1 2 269.308 0.662 20 30 CCEDLO Nc1ccc2c(c1)C(=[NH+]NC1=NCC(=O)N1)CCC2 ZINC000863177835 645066930 /nfs/dbraw/zinc/06/69/30/645066930.db2.gz XMTYOQLUQBLDIC-UHFFFAOYSA-N 1 2 257.297 0.385 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)cc1F ZINC000865402187 645363429 /nfs/dbraw/zinc/36/34/29/645363429.db2.gz SLNQQLFDTMNMLN-UHFFFAOYSA-N 1 2 294.286 0.720 20 30 CCEDLO C[C@H](CNC(=O)[C@]1(C#N)CCCOC1)Cn1cc[nH+]c1 ZINC000866002460 645458191 /nfs/dbraw/zinc/45/81/91/645458191.db2.gz YCRSKUTWTXYCMV-OCCSQVGLSA-N 1 2 276.340 0.956 20 30 CCEDLO N#CCC1(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867977398 645696524 /nfs/dbraw/zinc/69/65/24/645696524.db2.gz GPFYDUURUIINPX-OWOJBTEDSA-N 1 2 263.341 0.685 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(F)cn2)nn1 ZINC000881424319 647314725 /nfs/dbraw/zinc/31/47/25/647314725.db2.gz MFXNYZJQXZCTKB-AWEZNQCLSA-N 1 2 289.314 0.659 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)CCC1 ZINC000886099292 647901299 /nfs/dbraw/zinc/90/12/99/647901299.db2.gz WZLUMNKTVNHHBK-MNOVXSKESA-N 1 2 283.397 0.334 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)CCC1 ZINC000886099292 647901306 /nfs/dbraw/zinc/90/13/06/647901306.db2.gz WZLUMNKTVNHHBK-MNOVXSKESA-N 1 2 283.397 0.334 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000137654195 647965469 /nfs/dbraw/zinc/96/54/69/647965469.db2.gz GAMAHSQZKHDURA-UHFFFAOYSA-N 1 2 289.295 0.848 20 30 CCEDLO N#CCCN(CCOC1CC1)CC[NH+]1CCOCC1 ZINC000929773734 648790146 /nfs/dbraw/zinc/79/01/46/648790146.db2.gz BIEXEGRCGOKBRX-UHFFFAOYSA-N 1 2 267.373 0.713 20 30 CCEDLO N#Cc1cncc(C[N@H+]2C3CCC2(C(N)=O)CC3)c1 ZINC000932938226 649102844 /nfs/dbraw/zinc/10/28/44/649102844.db2.gz YRJPWOSLRWAMGZ-UHFFFAOYSA-N 1 2 256.309 0.936 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2C3CCC2(C(N)=O)CC3)c1 ZINC000932938226 649102847 /nfs/dbraw/zinc/10/28/47/649102847.db2.gz YRJPWOSLRWAMGZ-UHFFFAOYSA-N 1 2 256.309 0.936 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@H+](CCn3cnnn3)CCO2)cc1 ZINC000933633025 649131045 /nfs/dbraw/zinc/13/10/45/649131045.db2.gz UOCLEWJERGJQED-AWEZNQCLSA-N 1 2 284.323 0.618 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCn3cnnn3)CCO2)cc1 ZINC000933633025 649131046 /nfs/dbraw/zinc/13/10/46/649131046.db2.gz UOCLEWJERGJQED-AWEZNQCLSA-N 1 2 284.323 0.618 20 30 CCEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(CC#N)CC1 ZINC001006471198 649520343 /nfs/dbraw/zinc/52/03/43/649520343.db2.gz MZMCGMKULAOSFE-UHFFFAOYSA-N 1 2 261.329 0.329 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001017368739 649787516 /nfs/dbraw/zinc/78/75/16/649787516.db2.gz DQNMIVISMCWJHS-BETUJISGSA-N 1 2 272.352 0.894 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001017368739 649787517 /nfs/dbraw/zinc/78/75/17/649787517.db2.gz DQNMIVISMCWJHS-BETUJISGSA-N 1 2 272.352 0.894 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230533266 805611728 /nfs/dbraw/zinc/61/17/28/805611728.db2.gz WRVFPSQIXDFFMO-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230533266 805611733 /nfs/dbraw/zinc/61/17/33/805611733.db2.gz WRVFPSQIXDFFMO-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230563265 805624410 /nfs/dbraw/zinc/62/44/10/805624410.db2.gz ZFSBFNDITFQYTQ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230563265 805624416 /nfs/dbraw/zinc/62/44/16/805624416.db2.gz ZFSBFNDITFQYTQ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)C(F)F ZINC001266247815 790323406 /nfs/dbraw/zinc/32/34/06/790323406.db2.gz XCLSQQZMOLWZDQ-UHFFFAOYSA-N 1 2 291.342 0.724 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)C(F)F ZINC001266247815 790323419 /nfs/dbraw/zinc/32/34/19/790323419.db2.gz XCLSQQZMOLWZDQ-UHFFFAOYSA-N 1 2 291.342 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC001039025122 790400375 /nfs/dbraw/zinc/40/03/75/790400375.db2.gz HZXLGRSBBUNXFC-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC001039025122 790400379 /nfs/dbraw/zinc/40/03/79/790400379.db2.gz HZXLGRSBBUNXFC-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C[C@@H](C)COC)CC1 ZINC001266295022 790444029 /nfs/dbraw/zinc/44/40/29/790444029.db2.gz TTZXPOSHSUMVRD-CQSZACIVSA-N 1 2 281.400 0.026 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001266307594 790480740 /nfs/dbraw/zinc/48/07/40/790480740.db2.gz HAWAMCWTTNBAHE-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001266307594 790480741 /nfs/dbraw/zinc/48/07/41/790480741.db2.gz HAWAMCWTTNBAHE-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001266309833 790485466 /nfs/dbraw/zinc/48/54/66/790485466.db2.gz ABESAOCKLWIEEX-WDEREUQCSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001266309833 790485472 /nfs/dbraw/zinc/48/54/72/790485472.db2.gz ABESAOCKLWIEEX-WDEREUQCSA-N 1 2 261.329 0.270 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001266325333 790509015 /nfs/dbraw/zinc/50/90/15/790509015.db2.gz MCSFZSCDIUVDAQ-CYBMUJFWSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001266325333 790509024 /nfs/dbraw/zinc/50/90/24/790509024.db2.gz MCSFZSCDIUVDAQ-CYBMUJFWSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001266341959 790546461 /nfs/dbraw/zinc/54/64/61/790546461.db2.gz FTCQATOPCGPKHB-HNNXBMFYSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001266341959 790546474 /nfs/dbraw/zinc/54/64/74/790546474.db2.gz FTCQATOPCGPKHB-HNNXBMFYSA-N 1 2 297.399 0.153 20 30 CCEDLO CCC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266454510 790745221 /nfs/dbraw/zinc/74/52/21/790745221.db2.gz XQMNBFPEHOHERJ-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266454510 790745230 /nfs/dbraw/zinc/74/52/30/790745230.db2.gz XQMNBFPEHOHERJ-OLZOCXBDSA-N 1 2 294.399 0.643 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001266659873 791094032 /nfs/dbraw/zinc/09/40/32/791094032.db2.gz JCFGUFNVOONSSR-IUCAKERBSA-N 1 2 267.358 0.807 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[NH2+]Cc1ncccn1 ZINC001266692531 791147060 /nfs/dbraw/zinc/14/70/60/791147060.db2.gz VDGPSTSONFOLOY-UHFFFAOYSA-N 1 2 260.341 0.684 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848782 805676142 /nfs/dbraw/zinc/67/61/42/805676142.db2.gz LARTTYKYMKPQPE-OLZOCXBDSA-N 1 2 284.425 0.920 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848782 805676145 /nfs/dbraw/zinc/67/61/45/805676145.db2.gz LARTTYKYMKPQPE-OLZOCXBDSA-N 1 2 284.425 0.920 20 30 CCEDLO C=CCCC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277570223 805858124 /nfs/dbraw/zinc/85/81/24/805858124.db2.gz AOAWCGGUAUQWBR-UHFFFAOYSA-N 1 2 256.346 0.104 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccnc(C(=O)OC)c2)CC1 ZINC001232773536 805978146 /nfs/dbraw/zinc/97/81/46/805978146.db2.gz YEZVIPSFSKBZCD-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)c1 ZINC001233388319 806056224 /nfs/dbraw/zinc/05/62/24/806056224.db2.gz VFOLVSPIMLZHDI-BETUJISGSA-N 1 2 272.304 0.911 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)c1 ZINC001233388319 806056231 /nfs/dbraw/zinc/05/62/31/806056231.db2.gz VFOLVSPIMLZHDI-BETUJISGSA-N 1 2 272.304 0.911 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncccn3)[C@H]2C1 ZINC001083230563 791416091 /nfs/dbraw/zinc/41/60/91/791416091.db2.gz GLJWNXYUZPRPAX-QWHCGFSZSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncccn3)[C@H]2C1 ZINC001083230563 791416097 /nfs/dbraw/zinc/41/60/97/791416097.db2.gz GLJWNXYUZPRPAX-QWHCGFSZSA-N 1 2 286.335 0.025 20 30 CCEDLO N#CCNCCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167508975 791491852 /nfs/dbraw/zinc/49/18/52/791491852.db2.gz LHTYZFNJZUTRQT-UHFFFAOYSA-N 1 2 294.399 0.251 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)cs1 ZINC001267195032 791655669 /nfs/dbraw/zinc/65/56/69/791655669.db2.gz LTXZKLOXGQQCSH-UHFFFAOYSA-N 1 2 293.392 0.468 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)cs1 ZINC001267195032 791655672 /nfs/dbraw/zinc/65/56/72/791655672.db2.gz LTXZKLOXGQQCSH-UHFFFAOYSA-N 1 2 293.392 0.468 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(F)(F)F ZINC001267213099 791682007 /nfs/dbraw/zinc/68/20/07/791682007.db2.gz ZVRVGKCMVQMVSU-SECBINFHSA-N 1 2 295.305 0.535 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(F)(F)F ZINC001267213099 791682011 /nfs/dbraw/zinc/68/20/11/791682011.db2.gz ZVRVGKCMVQMVSU-SECBINFHSA-N 1 2 295.305 0.535 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601673 806089690 /nfs/dbraw/zinc/08/96/90/806089690.db2.gz WWCARLYIVFHMDU-CQSZACIVSA-N 1 2 291.395 0.932 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601673 806089700 /nfs/dbraw/zinc/08/97/00/806089700.db2.gz WWCARLYIVFHMDU-CQSZACIVSA-N 1 2 291.395 0.932 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233683556 806107607 /nfs/dbraw/zinc/10/76/07/806107607.db2.gz RUHKIKGUPCZVAA-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001233683556 806107613 /nfs/dbraw/zinc/10/76/13/806107613.db2.gz RUHKIKGUPCZVAA-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233769426 806120067 /nfs/dbraw/zinc/12/00/67/806120067.db2.gz AYJUJQMKEWDMLD-KBPBESRZSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233769426 806120071 /nfs/dbraw/zinc/12/00/71/806120071.db2.gz AYJUJQMKEWDMLD-KBPBESRZSA-N 1 2 293.411 0.847 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233866978 806135717 /nfs/dbraw/zinc/13/57/17/806135717.db2.gz WVCOMYBBLYQDFB-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001233866978 806135723 /nfs/dbraw/zinc/13/57/23/806135723.db2.gz WVCOMYBBLYQDFB-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233948453 806156058 /nfs/dbraw/zinc/15/60/58/806156058.db2.gz WBDWXUQXDKWSRQ-RYUDHWBXSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233948453 806156061 /nfs/dbraw/zinc/15/60/61/806156061.db2.gz WBDWXUQXDKWSRQ-RYUDHWBXSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052677 806173896 /nfs/dbraw/zinc/17/38/96/806173896.db2.gz ZPLKTOAMOSVKLF-CHWSQXEVSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CC1 ZINC001234052677 806173898 /nfs/dbraw/zinc/17/38/98/806173898.db2.gz ZPLKTOAMOSVKLF-CHWSQXEVSA-N 1 2 250.342 0.577 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234171661 806195913 /nfs/dbraw/zinc/19/59/13/806195913.db2.gz RKTLQMVMUNIDLD-STQMWFEESA-N 1 2 279.384 0.442 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234171661 806195915 /nfs/dbraw/zinc/19/59/15/806195915.db2.gz RKTLQMVMUNIDLD-STQMWFEESA-N 1 2 279.384 0.442 20 30 CCEDLO Cn1cnnc1C[N@H+](C)CCCNC(=O)CSCC#N ZINC001234147008 806190589 /nfs/dbraw/zinc/19/05/89/806190589.db2.gz WSNRNFZJOAMFNQ-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)CCCNC(=O)CSCC#N ZINC001234147008 806190591 /nfs/dbraw/zinc/19/05/91/806190591.db2.gz WSNRNFZJOAMFNQ-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179464 806197534 /nfs/dbraw/zinc/19/75/34/806197534.db2.gz VFJPDRBQUGKVKK-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179464 806197536 /nfs/dbraw/zinc/19/75/36/806197536.db2.gz VFJPDRBQUGKVKK-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186968 806197913 /nfs/dbraw/zinc/19/79/13/806197913.db2.gz QWYQIVSXYVXGIJ-AAEUAGOBSA-N 1 2 277.368 0.067 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186968 806197914 /nfs/dbraw/zinc/19/79/14/806197914.db2.gz QWYQIVSXYVXGIJ-AAEUAGOBSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234331751 806225193 /nfs/dbraw/zinc/22/51/93/806225193.db2.gz CEEDSKGHTMKAMD-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234331751 806225199 /nfs/dbraw/zinc/22/51/99/806225199.db2.gz CEEDSKGHTMKAMD-UONOGXRCSA-N 1 2 264.369 0.967 20 30 CCEDLO C[N@H+]1C[C@H]2CN(CC(=O)c3ccc(C#N)cc3)C[C@@H](C1)O2 ZINC001278074859 806650916 /nfs/dbraw/zinc/65/09/16/806650916.db2.gz IBCZJBJNTVQYNP-GASCZTMLSA-N 1 2 285.347 0.756 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(CC(=O)c3ccc(C#N)cc3)C[C@@H](C1)O2 ZINC001278074859 806650920 /nfs/dbraw/zinc/65/09/20/806650920.db2.gz IBCZJBJNTVQYNP-GASCZTMLSA-N 1 2 285.347 0.756 20 30 CCEDLO C=CC[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278084658 806653807 /nfs/dbraw/zinc/65/38/07/806653807.db2.gz FFGXDMZTHAQDNC-NKWVEPMBSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001278084658 806653810 /nfs/dbraw/zinc/65/38/10/806653810.db2.gz FFGXDMZTHAQDNC-NKWVEPMBSA-N 1 2 258.215 0.140 20 30 CCEDLO COC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2nnn(C)c21 ZINC001237462819 806671440 /nfs/dbraw/zinc/67/14/40/806671440.db2.gz MAYVXKXDMJKDHC-LBPRGKRZSA-N 1 2 298.350 0.828 20 30 CCEDLO COC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2nnn(C)c21 ZINC001237462819 806671441 /nfs/dbraw/zinc/67/14/41/806671441.db2.gz MAYVXKXDMJKDHC-LBPRGKRZSA-N 1 2 298.350 0.828 20 30 CCEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1=O ZINC001120596509 798882430 /nfs/dbraw/zinc/88/24/30/798882430.db2.gz HJDAONASGPMVLH-MNOVXSKESA-N 1 2 262.313 0.555 20 30 CCEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)cn2c1 ZINC001237608179 806699398 /nfs/dbraw/zinc/69/93/98/806699398.db2.gz FDHGTVVPARUYAD-GXTWGEPZSA-N 1 2 286.335 0.381 20 30 CCEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)cn2c1 ZINC001237608179 806699401 /nfs/dbraw/zinc/69/94/01/806699401.db2.gz FDHGTVVPARUYAD-GXTWGEPZSA-N 1 2 286.335 0.381 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121353329 799035284 /nfs/dbraw/zinc/03/52/84/799035284.db2.gz QIHLNUZSGBZMOG-ZDUSSCGKSA-N 1 2 290.367 0.868 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCOCC1 ZINC001121609869 799059357 /nfs/dbraw/zinc/05/93/57/799059357.db2.gz OZBSWKWNNWSDKX-VXGBXAGGSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCOCC1 ZINC001121609869 799059364 /nfs/dbraw/zinc/05/93/64/799059364.db2.gz OZBSWKWNNWSDKX-VXGBXAGGSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCOCC1 ZINC001121609868 799060186 /nfs/dbraw/zinc/06/01/86/799060186.db2.gz OZBSWKWNNWSDKX-RYUDHWBXSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCOCC1 ZINC001121609868 799060191 /nfs/dbraw/zinc/06/01/91/799060191.db2.gz OZBSWKWNNWSDKX-RYUDHWBXSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001124484720 799608981 /nfs/dbraw/zinc/60/89/81/799608981.db2.gz XLEDKQXKUYUEGH-JTQLQIEISA-N 1 2 282.344 0.565 20 30 CCEDLO C#CC[NH+](CC#C)Cc1ccc(N2CCOCC2)nc1 ZINC001139436125 799811984 /nfs/dbraw/zinc/81/19/84/799811984.db2.gz IMNRPDUNKNFPDW-UHFFFAOYSA-N 1 2 269.348 0.987 20 30 CCEDLO CCc1cc(C[NH+]2CC(N3CCNC(=O)C3)C2)ccc1C#N ZINC001238777087 806804669 /nfs/dbraw/zinc/80/46/69/806804669.db2.gz CEAHSAIFSNESOD-UHFFFAOYSA-N 1 2 298.390 0.737 20 30 CCEDLO O=C(C#Cc1ccccc1)NCC[NH+]1CC2(COC2)C1 ZINC001142862192 800167682 /nfs/dbraw/zinc/16/76/82/800167682.db2.gz CNXJLEHVJAKHMD-UHFFFAOYSA-N 1 2 270.332 0.487 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001152370425 800513879 /nfs/dbraw/zinc/51/38/79/800513879.db2.gz FPTDXJVHJQFLJT-CYBMUJFWSA-N 1 2 294.399 0.949 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001152370425 800513882 /nfs/dbraw/zinc/51/38/82/800513882.db2.gz FPTDXJVHJQFLJT-CYBMUJFWSA-N 1 2 294.399 0.949 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccn3cnnc23)CC1 ZINC001152388651 800515827 /nfs/dbraw/zinc/51/58/27/800515827.db2.gz HCCFUODDOIHVQB-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO CC#CC[NH2+]CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC001152652379 800545097 /nfs/dbraw/zinc/54/50/97/800545097.db2.gz HRWDEEJXGJRENA-UHFFFAOYSA-N 1 2 283.335 0.814 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(F)cc2C#N)C1 ZINC001155195053 800927869 /nfs/dbraw/zinc/92/78/69/800927869.db2.gz ZDKBFKOJGGKQDE-NSHDSACASA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc(F)cc2C#N)C1 ZINC001155195053 800927874 /nfs/dbraw/zinc/92/78/74/800927874.db2.gz ZDKBFKOJGGKQDE-NSHDSACASA-N 1 2 250.277 0.835 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(OC)c(C#N)cn2)C[NH2+]1 ZINC001156240862 801137991 /nfs/dbraw/zinc/13/79/91/801137991.db2.gz WZBPEAMIDBEEFH-UWVGGRQHSA-N 1 2 276.296 0.277 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001157189874 801321397 /nfs/dbraw/zinc/32/13/97/801321397.db2.gz SZHXSRJYXKVYHB-CQSZACIVSA-N 1 2 296.371 0.555 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001157869942 801507723 /nfs/dbraw/zinc/50/77/23/801507723.db2.gz VAJDTDBKCHSDJW-MNOVXSKESA-N 1 2 294.355 0.573 20 30 CCEDLO N#C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001157964032 801542000 /nfs/dbraw/zinc/54/20/00/801542000.db2.gz RTBVPUYCGQIMQH-NSHDSACASA-N 1 2 256.265 0.487 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2[nH]cc(C#N)c21 ZINC001158700652 801685373 /nfs/dbraw/zinc/68/53/73/801685373.db2.gz QAKMRLNPMRVUSC-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2[nH]cc(C#N)c21 ZINC001158700652 801685380 /nfs/dbraw/zinc/68/53/80/801685380.db2.gz QAKMRLNPMRVUSC-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc2c(C#N)c[nH]c2n1 ZINC001158707589 801689737 /nfs/dbraw/zinc/68/97/37/801689737.db2.gz QNPOQOXSHZRUIA-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ncc2c(C#N)c[nH]c2n1 ZINC001158707589 801689740 /nfs/dbraw/zinc/68/97/40/801689740.db2.gz QNPOQOXSHZRUIA-SNVBAGLBSA-N 1 2 272.312 0.572 20 30 CCEDLO CC(=O)Nc1c(C)cc[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001160176369 801917435 /nfs/dbraw/zinc/91/74/35/801917435.db2.gz OBQJVJAVILEQTN-KWQFWETISA-N 1 2 278.312 0.996 20 30 CCEDLO C#CCOCCOCCNc1[nH+]ccc(C)c1C(N)=O ZINC001160673350 801997225 /nfs/dbraw/zinc/99/72/25/801997225.db2.gz JMSZOTQVLQVVHR-UHFFFAOYSA-N 1 2 277.324 0.567 20 30 CCEDLO COC(=O)CC[C@H](Nc1cc(CC#N)cc[nH+]1)C(N)=O ZINC001161758858 802217198 /nfs/dbraw/zinc/21/71/98/802217198.db2.gz ASSLGMATOVSKGD-JTQLQIEISA-N 1 2 276.296 0.367 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C#N ZINC001161949959 802256147 /nfs/dbraw/zinc/25/61/47/802256147.db2.gz FUVWYWXDLORBAG-SECBINFHSA-N 1 2 279.256 0.164 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@@H]([NH3+])C(=O)OCC ZINC001161950586 802256598 /nfs/dbraw/zinc/25/65/98/802256598.db2.gz WSWTVMJXLXBYHC-LLVKDONJSA-N 1 2 292.339 0.300 20 30 CCEDLO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859679 808348653 /nfs/dbraw/zinc/34/86/53/808348653.db2.gz GDVHVGJMTIOTLY-VHSXEESVSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859679 808348660 /nfs/dbraw/zinc/34/86/60/808348660.db2.gz GDVHVGJMTIOTLY-VHSXEESVSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278859679 808348668 /nfs/dbraw/zinc/34/86/68/808348668.db2.gz GDVHVGJMTIOTLY-VHSXEESVSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278859679 808348677 /nfs/dbraw/zinc/34/86/77/808348677.db2.gz GDVHVGJMTIOTLY-VHSXEESVSA-N 1 2 298.280 0.661 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001265274041 809739889 /nfs/dbraw/zinc/73/98/89/809739889.db2.gz ZZWGJVHPVJEECP-FWLQQBITSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001265274041 809739894 /nfs/dbraw/zinc/73/98/94/809739894.db2.gz ZZWGJVHPVJEECP-FWLQQBITSA-N 1 2 289.379 0.283 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001265274852 809740633 /nfs/dbraw/zinc/74/06/33/809740633.db2.gz IQWATZCNMAUZKC-GFCCVEGCSA-N 1 2 293.371 0.191 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001265274852 809740637 /nfs/dbraw/zinc/74/06/37/809740637.db2.gz IQWATZCNMAUZKC-GFCCVEGCSA-N 1 2 293.371 0.191 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001265274042 809741107 /nfs/dbraw/zinc/74/11/07/809741107.db2.gz ZZWGJVHPVJEECP-TZIYXEQSSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001265274042 809741110 /nfs/dbraw/zinc/74/11/10/809741110.db2.gz ZZWGJVHPVJEECP-TZIYXEQSSA-N 1 2 289.379 0.283 20 30 CCEDLO COc1ccc2c(c1)ncnc2N1CC[NH2+]C[C@H]1C#N ZINC001164652848 802775470 /nfs/dbraw/zinc/77/54/70/802775470.db2.gz UCCWFFWUMJBOJB-SNVBAGLBSA-N 1 2 269.308 0.940 20 30 CCEDLO CNC(=O)c1nc(N2CC[NH2+]C[C@H]2C#N)ccc1Cl ZINC001164651379 802775508 /nfs/dbraw/zinc/77/55/08/802775508.db2.gz FMNLWUYKORMPKN-MRVPVSSYSA-N 1 2 279.731 0.396 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267750009 811742806 /nfs/dbraw/zinc/74/28/06/811742806.db2.gz YITRHAXECDNUOR-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267750009 811742815 /nfs/dbraw/zinc/74/28/15/811742815.db2.gz YITRHAXECDNUOR-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C=C1CCC1 ZINC001268232992 812392021 /nfs/dbraw/zinc/39/20/21/812392021.db2.gz SOLYHMLUPONAOV-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C=C1CCC1 ZINC001268232992 812392027 /nfs/dbraw/zinc/39/20/27/812392027.db2.gz SOLYHMLUPONAOV-UHFFFAOYSA-N 1 2 277.368 0.236 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1C#N ZINC001207104789 803354064 /nfs/dbraw/zinc/35/40/64/803354064.db2.gz YRFWHQZEOPHBMA-BYCMXARLSA-N 1 2 275.352 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1C#N ZINC001207104789 803354071 /nfs/dbraw/zinc/35/40/71/803354071.db2.gz YRFWHQZEOPHBMA-BYCMXARLSA-N 1 2 275.352 0.868 20 30 CCEDLO COC(C[NH+]1CCN(c2nccnc2C#N)CC1)OC ZINC001207254114 803373135 /nfs/dbraw/zinc/37/31/35/803373135.db2.gz PCJXBEIZYZONDI-UHFFFAOYSA-N 1 2 277.328 0.089 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001276539585 803415861 /nfs/dbraw/zinc/41/58/61/803415861.db2.gz DRXGPESLPPGJTK-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001276539585 803415866 /nfs/dbraw/zinc/41/58/66/803415866.db2.gz DRXGPESLPPGJTK-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208509258 803519465 /nfs/dbraw/zinc/51/94/65/803519465.db2.gz XVLQIEKVYZUPGY-JTNHKYCSSA-N 1 2 267.373 0.511 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208509258 803519470 /nfs/dbraw/zinc/51/94/70/803519470.db2.gz XVLQIEKVYZUPGY-JTNHKYCSSA-N 1 2 267.373 0.511 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCOCC2)[C@H](OC)C1 ZINC001213636772 803698693 /nfs/dbraw/zinc/69/86/93/803698693.db2.gz VJEIDZBBLCBWTD-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCOCC2)[C@H](OC)C1 ZINC001213636772 803698694 /nfs/dbraw/zinc/69/86/94/803698694.db2.gz VJEIDZBBLCBWTD-ZIAGYGMSSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCCC)[C@H](OC)C1 ZINC001211986059 814961496 /nfs/dbraw/zinc/96/14/96/814961496.db2.gz GNVPTXOKJQNNGM-BFHYXJOUSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCCC)[C@H](OC)C1 ZINC001211986059 814961499 /nfs/dbraw/zinc/96/14/99/814961499.db2.gz GNVPTXOKJQNNGM-BFHYXJOUSA-N 1 2 282.384 0.640 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001272092743 814971530 /nfs/dbraw/zinc/97/15/30/814971530.db2.gz IKWVWMBJZIAKNE-VXGBXAGGSA-N 1 2 298.362 0.155 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001272092743 814971535 /nfs/dbraw/zinc/97/15/35/814971535.db2.gz IKWVWMBJZIAKNE-VXGBXAGGSA-N 1 2 298.362 0.155 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[C@H](F)C1 ZINC001272092741 814971976 /nfs/dbraw/zinc/97/19/76/814971976.db2.gz IKWVWMBJZIAKNE-RYUDHWBXSA-N 1 2 298.362 0.155 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[C@H](F)C1 ZINC001272092741 814971977 /nfs/dbraw/zinc/97/19/77/814971977.db2.gz IKWVWMBJZIAKNE-RYUDHWBXSA-N 1 2 298.362 0.155 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041583 814983630 /nfs/dbraw/zinc/98/36/30/814983630.db2.gz VGFIVCXLKIMJTE-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041583 814983633 /nfs/dbraw/zinc/98/36/33/814983633.db2.gz VGFIVCXLKIMJTE-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001083446632 814995549 /nfs/dbraw/zinc/99/55/49/814995549.db2.gz HMIIRSDYOJLBJO-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001083446632 814995552 /nfs/dbraw/zinc/99/55/52/814995552.db2.gz HMIIRSDYOJLBJO-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@@H]1O ZINC001219332803 804275674 /nfs/dbraw/zinc/27/56/74/804275674.db2.gz IIRFWWDHERBCLB-KGLIPLIRSA-N 1 2 293.367 0.865 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@@H]1O ZINC001219332803 804275681 /nfs/dbraw/zinc/27/56/81/804275681.db2.gz IIRFWWDHERBCLB-KGLIPLIRSA-N 1 2 293.367 0.865 20 30 CCEDLO N#CCc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1F ZINC001219518235 804335028 /nfs/dbraw/zinc/33/50/28/804335028.db2.gz CMBDDQCFZIKPGQ-LBPRGKRZSA-N 1 2 263.272 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](O)C1 ZINC001219881871 804439635 /nfs/dbraw/zinc/43/96/35/804439635.db2.gz MSNMCZLUGHHCBD-ZJUUUORDSA-N 1 2 290.285 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H](O)C1 ZINC001219881871 804439639 /nfs/dbraw/zinc/43/96/39/804439639.db2.gz MSNMCZLUGHHCBD-ZJUUUORDSA-N 1 2 290.285 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](O)C1 ZINC001083458735 815018156 /nfs/dbraw/zinc/01/81/56/815018156.db2.gz DEDXNYPATGFXCU-KGLIPLIRSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](O)C1 ZINC001083458735 815018162 /nfs/dbraw/zinc/01/81/62/815018162.db2.gz DEDXNYPATGFXCU-KGLIPLIRSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@@H](O)C1 ZINC001219923837 804448468 /nfs/dbraw/zinc/44/84/68/804448468.db2.gz DRMXURCJROPOSV-KGLIPLIRSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@@H](O)C1 ZINC001219923837 804448475 /nfs/dbraw/zinc/44/84/75/804448475.db2.gz DRMXURCJROPOSV-KGLIPLIRSA-N 1 2 280.368 0.130 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220254067 804551445 /nfs/dbraw/zinc/55/14/45/804551445.db2.gz HUEIKANKBPVVQX-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220254067 804551450 /nfs/dbraw/zinc/55/14/50/804551450.db2.gz HUEIKANKBPVVQX-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221283127 804765260 /nfs/dbraw/zinc/76/52/60/804765260.db2.gz ZMOQPBRRSDEJKL-CHWSQXEVSA-N 1 2 292.383 0.349 20 30 CCEDLO CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221283127 804765266 /nfs/dbraw/zinc/76/52/66/804765266.db2.gz ZMOQPBRRSDEJKL-CHWSQXEVSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccccc1 ZINC001221358436 804787457 /nfs/dbraw/zinc/78/74/57/804787457.db2.gz OOHNUOQKLNFUIX-NWDGAFQWSA-N 1 2 286.339 0.503 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221530346 804829661 /nfs/dbraw/zinc/82/96/61/804829661.db2.gz HDKBKKQZLVZDOL-JHJVBQTASA-N 1 2 277.368 0.052 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221530346 804829670 /nfs/dbraw/zinc/82/96/70/804829670.db2.gz HDKBKKQZLVZDOL-JHJVBQTASA-N 1 2 277.368 0.052 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC)C[C@H]21 ZINC001221731930 804838717 /nfs/dbraw/zinc/83/87/17/804838717.db2.gz VSIAEJBVTMPVNR-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC)C[C@H]21 ZINC001221731930 804838724 /nfs/dbraw/zinc/83/87/24/804838724.db2.gz VSIAEJBVTMPVNR-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO Cc1noc(C[NH+]2CCC(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001222636650 804922257 /nfs/dbraw/zinc/92/22/57/804922257.db2.gz PDNZOMKZTXKFPZ-JTQLQIEISA-N 1 2 291.355 0.866 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCN1CC#N ZINC001276939106 805002187 /nfs/dbraw/zinc/00/21/87/805002187.db2.gz CZWOCEMJXKWVPI-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCN1CC#N ZINC001276939106 805002194 /nfs/dbraw/zinc/00/21/94/805002194.db2.gz CZWOCEMJXKWVPI-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001276948022 805011907 /nfs/dbraw/zinc/01/19/07/805011907.db2.gz HSTZSLHBODEEQV-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001276948022 805011917 /nfs/dbraw/zinc/01/19/17/805011917.db2.gz HSTZSLHBODEEQV-GDBMZVCRSA-N 1 2 294.395 0.643 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225297079 805119908 /nfs/dbraw/zinc/11/99/08/805119908.db2.gz BGJAOPUTADJJCM-LSVRBPJHSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225297079 805119913 /nfs/dbraw/zinc/11/99/13/805119913.db2.gz BGJAOPUTADJJCM-LSVRBPJHSA-N 1 2 274.320 0.777 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226043834 805188599 /nfs/dbraw/zinc/18/85/99/805188599.db2.gz HKKWWXYJOHHUNX-ZQLNZSQWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226043834 805188603 /nfs/dbraw/zinc/18/86/03/805188603.db2.gz HKKWWXYJOHHUNX-ZQLNZSQWSA-N 1 2 272.308 0.949 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1C ZINC001088681849 815056419 /nfs/dbraw/zinc/05/64/19/815056419.db2.gz XMKURCCVEJIYEO-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1C ZINC001088681849 815056426 /nfs/dbraw/zinc/05/64/26/815056426.db2.gz XMKURCCVEJIYEO-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1[nH]c(=O)nc2nccnc21 ZINC001226990146 805304970 /nfs/dbraw/zinc/30/49/70/805304970.db2.gz RDQJPWIXPNSFSY-SECBINFHSA-O 1 2 289.319 0.493 20 30 CCEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cccnn2)C3)C1 ZINC001277205440 805345660 /nfs/dbraw/zinc/34/56/60/805345660.db2.gz KSCDBLGEGNIHDH-CQSZACIVSA-N 1 2 297.362 0.671 20 30 CCEDLO COc1cc(=O)[nH]c(O[C@H](CC#N)C[N+](C)(C)C)n1 ZINC001228918322 805490395 /nfs/dbraw/zinc/49/03/95/805490395.db2.gz OENDKPUNLOHGPI-SECBINFHSA-O 1 2 267.309 0.558 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232534 807193617 /nfs/dbraw/zinc/19/36/17/807193617.db2.gz XBRBZOVJMVHSKT-RWMBFGLXSA-N 1 2 277.299 0.883 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@](C)(C#N)CC(C)C)C[NH2+]1 ZINC001246463460 807256549 /nfs/dbraw/zinc/25/65/49/807256549.db2.gz LUPOSJPYEUTINJ-MDZLAQPJSA-N 1 2 253.346 0.808 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CN1 ZINC001246945335 807437456 /nfs/dbraw/zinc/43/74/56/807437456.db2.gz LCBNWNSXGWAQRQ-GMXVVIOVSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)CN1 ZINC001246945335 807437461 /nfs/dbraw/zinc/43/74/61/807437461.db2.gz LCBNWNSXGWAQRQ-GMXVVIOVSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CCCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001247636469 807474948 /nfs/dbraw/zinc/47/49/48/807474948.db2.gz QZWVITOSLTYFDR-SNVBAGLBSA-N 1 2 271.386 0.226 20 30 CCEDLO C=CCCNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001247636469 807474952 /nfs/dbraw/zinc/47/49/52/807474952.db2.gz QZWVITOSLTYFDR-SNVBAGLBSA-N 1 2 271.386 0.226 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966208 815130339 /nfs/dbraw/zinc/13/03/39/815130339.db2.gz STOMMDNTJFBZGE-HZSPNIEDSA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1ccc(O)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251026781 807646297 /nfs/dbraw/zinc/64/62/97/807646297.db2.gz WPHDODKKJFYVKM-LBPRGKRZSA-N 1 2 277.324 0.369 20 30 CCEDLO CCC(C#N)(CC)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251047897 807656282 /nfs/dbraw/zinc/65/62/82/807656282.db2.gz XZRGNFGWVAPYHL-GFCCVEGCSA-N 1 2 255.362 0.351 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001251847209 807717293 /nfs/dbraw/zinc/71/72/93/807717293.db2.gz BDMZGIZQEQDYFA-LBPRGKRZSA-N 1 2 262.309 0.155 20 30 CCEDLO C=CCOC[C@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252454765 807869824 /nfs/dbraw/zinc/86/98/24/807869824.db2.gz SZDYCHQQKPFPSZ-CQSZACIVSA-N 1 2 293.367 0.894 20 30 CCEDLO C=C[C@](C)(O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001252543716 807906797 /nfs/dbraw/zinc/90/67/97/807906797.db2.gz UBYLEZJRSQVSHZ-ZDUSSCGKSA-N 1 2 264.329 0.662 20 30 CCEDLO C=C[C@](C)(O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001252543716 807906805 /nfs/dbraw/zinc/90/68/05/807906805.db2.gz UBYLEZJRSQVSHZ-ZDUSSCGKSA-N 1 2 264.329 0.662 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](O)C1 ZINC001083495272 815162571 /nfs/dbraw/zinc/16/25/71/815162571.db2.gz QTVYIRZLOILYAK-OCCSQVGLSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](O)C1 ZINC001083495272 815162573 /nfs/dbraw/zinc/16/25/73/815162573.db2.gz QTVYIRZLOILYAK-OCCSQVGLSA-N 1 2 290.367 0.091 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126886498 815190066 /nfs/dbraw/zinc/19/00/66/815190066.db2.gz VGHJGCCCVIORJM-SECBINFHSA-N 1 2 262.313 0.558 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257854681 808638796 /nfs/dbraw/zinc/63/87/96/808638796.db2.gz HNUGLCXCVRVBGR-RTBKNWGFSA-N 1 2 275.370 0.779 20 30 CCEDLO COCC#Cc1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258100840 808654056 /nfs/dbraw/zinc/65/40/56/808654056.db2.gz DRMSQVWPJFGZCH-TXEJJXNPSA-N 1 2 279.340 0.719 20 30 CCEDLO COCC#Cc1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258100840 808654060 /nfs/dbraw/zinc/65/40/60/808654060.db2.gz DRMSQVWPJFGZCH-TXEJJXNPSA-N 1 2 279.340 0.719 20 30 CCEDLO COCC#Cc1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258100839 808654190 /nfs/dbraw/zinc/65/41/90/808654190.db2.gz DRMSQVWPJFGZCH-RYUDHWBXSA-N 1 2 279.340 0.719 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001261283384 808945084 /nfs/dbraw/zinc/94/50/84/808945084.db2.gz UIKOPXYCAHQBCQ-UHFFFAOYSA-N 1 2 260.341 0.773 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CC1 ZINC001263802034 809572255 /nfs/dbraw/zinc/57/22/55/809572255.db2.gz IJAQGNOAYXYBEK-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CC1 ZINC001263802034 809572262 /nfs/dbraw/zinc/57/22/62/809572262.db2.gz IJAQGNOAYXYBEK-CQSZACIVSA-N 1 2 294.395 0.596 20 30 CCEDLO C=C(C)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263830454 809582609 /nfs/dbraw/zinc/58/26/09/809582609.db2.gz NOIMGMCZSCFQMI-LBPRGKRZSA-N 1 2 254.378 0.498 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1C ZINC001264694963 809673720 /nfs/dbraw/zinc/67/37/20/809673720.db2.gz RZOAZAAWMIEMDP-OLZOCXBDSA-N 1 2 294.395 0.830 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1C ZINC001264694963 809673723 /nfs/dbraw/zinc/67/37/23/809673723.db2.gz RZOAZAAWMIEMDP-OLZOCXBDSA-N 1 2 294.395 0.830 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001265303509 809752054 /nfs/dbraw/zinc/75/20/54/809752054.db2.gz JIXWLRKXYUAWEQ-MGPQQGTHSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001265303509 809752057 /nfs/dbraw/zinc/75/20/57/809752057.db2.gz JIXWLRKXYUAWEQ-MGPQQGTHSA-N 1 2 291.395 0.363 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCCN1CC#N ZINC001265658322 809821309 /nfs/dbraw/zinc/82/13/09/809821309.db2.gz WRNASROVZPANOD-CQSZACIVSA-N 1 2 289.383 0.847 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)c1 ZINC001265823259 809864847 /nfs/dbraw/zinc/86/48/47/809864847.db2.gz FSRSAOQASREQKC-SNVBAGLBSA-N 1 2 285.307 0.354 20 30 CCEDLO CC(C)C#CC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001265842624 809872752 /nfs/dbraw/zinc/87/27/52/809872752.db2.gz COJYIULQATWKRN-UHFFFAOYSA-N 1 2 277.372 0.413 20 30 CCEDLO CC(C)C#CC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001265842624 809872756 /nfs/dbraw/zinc/87/27/56/809872756.db2.gz COJYIULQATWKRN-UHFFFAOYSA-N 1 2 277.372 0.413 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001266218944 809966357 /nfs/dbraw/zinc/96/63/57/809966357.db2.gz TXAHNDJNDPNPFP-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266218944 809966361 /nfs/dbraw/zinc/96/63/61/809966361.db2.gz TXAHNDJNDPNPFP-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)c1 ZINC001076855860 815397511 /nfs/dbraw/zinc/39/75/11/815397511.db2.gz QKJJHLSTJAXFNY-JZIZGNRHSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)c1 ZINC001076855860 815397516 /nfs/dbraw/zinc/39/75/16/815397516.db2.gz QKJJHLSTJAXFNY-JZIZGNRHSA-N 1 2 294.742 0.414 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001076935925 815417244 /nfs/dbraw/zinc/41/72/44/815417244.db2.gz VQSGNEUOLIAVGT-VXGBXAGGSA-N 1 2 279.365 0.250 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001076935925 815417247 /nfs/dbraw/zinc/41/72/47/815417247.db2.gz VQSGNEUOLIAVGT-VXGBXAGGSA-N 1 2 279.365 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@@H](O)C1 ZINC001083560860 815437446 /nfs/dbraw/zinc/43/74/46/815437446.db2.gz VPZUHOMOYALGOY-UHTWSYAYSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@@H](O)C1 ZINC001083560860 815437448 /nfs/dbraw/zinc/43/74/48/815437448.db2.gz VPZUHOMOYALGOY-UHTWSYAYSA-N 1 2 250.342 0.217 20 30 CCEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562494 811318945 /nfs/dbraw/zinc/31/89/45/811318945.db2.gz LMWRHEIOIBZBAE-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2ncccn2)[nH]1 ZINC001125776834 811324336 /nfs/dbraw/zinc/32/43/36/811324336.db2.gz ZDEHPNJULOBYFV-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001077070185 815441682 /nfs/dbraw/zinc/44/16/82/815441682.db2.gz QTVYIRZLOILYAK-TZMCWYRMSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001077070185 815441684 /nfs/dbraw/zinc/44/16/84/815441684.db2.gz QTVYIRZLOILYAK-TZMCWYRMSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001267534621 811414014 /nfs/dbraw/zinc/41/40/14/811414014.db2.gz TXQXEGGHCPLWHQ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001267534621 811414017 /nfs/dbraw/zinc/41/40/17/811414017.db2.gz TXQXEGGHCPLWHQ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccncc1C#N ZINC001098167682 811456410 /nfs/dbraw/zinc/45/64/10/811456410.db2.gz IAYVJOAONWEMLM-LBPRGKRZSA-N 1 2 298.350 0.579 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CC12CC2 ZINC001267575416 811469906 /nfs/dbraw/zinc/46/99/06/811469906.db2.gz DABQRYDZGSVLIK-CYBMUJFWSA-N 1 2 276.384 0.386 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001077150680 815451865 /nfs/dbraw/zinc/45/18/65/815451865.db2.gz KGRDAYUXMMOITK-NXEZZACHSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001077150680 815451869 /nfs/dbraw/zinc/45/18/69/815451869.db2.gz KGRDAYUXMMOITK-NXEZZACHSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038329658 811574766 /nfs/dbraw/zinc/57/47/66/811574766.db2.gz UONIQZDPPYGPRK-NSHDSACASA-N 1 2 275.356 0.470 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038329658 811574773 /nfs/dbraw/zinc/57/47/73/811574773.db2.gz UONIQZDPPYGPRK-NSHDSACASA-N 1 2 275.356 0.470 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267629857 811588032 /nfs/dbraw/zinc/58/80/32/811588032.db2.gz NSOKXUVONSJLGR-NSHDSACASA-N 1 2 296.371 0.118 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267629857 811588039 /nfs/dbraw/zinc/58/80/39/811588039.db2.gz NSOKXUVONSJLGR-NSHDSACASA-N 1 2 296.371 0.118 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2COC)C1 ZINC001077232464 815463735 /nfs/dbraw/zinc/46/37/35/815463735.db2.gz PRICNXOQVHVJJO-VXGBXAGGSA-N 1 2 294.376 0.303 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2COC)C1 ZINC001077232464 815463741 /nfs/dbraw/zinc/46/37/41/815463741.db2.gz PRICNXOQVHVJJO-VXGBXAGGSA-N 1 2 294.376 0.303 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001267684140 811649882 /nfs/dbraw/zinc/64/98/82/811649882.db2.gz UCEQUHZFOUIJJS-VIFPVBQESA-N 1 2 266.238 0.958 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719891 811683241 /nfs/dbraw/zinc/68/32/41/811683241.db2.gz RYAPHCYXBQYJMK-TZQNSNDFSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719891 811683245 /nfs/dbraw/zinc/68/32/45/811683245.db2.gz RYAPHCYXBQYJMK-TZQNSNDFSA-N 1 2 279.384 0.835 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083295756 811799270 /nfs/dbraw/zinc/79/92/70/811799270.db2.gz MEPOMWAQNSHTCW-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083295756 811799277 /nfs/dbraw/zinc/79/92/77/811799277.db2.gz MEPOMWAQNSHTCW-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC#C)nn2)C1 ZINC001105225143 811866719 /nfs/dbraw/zinc/86/67/19/811866719.db2.gz KFIRYIYALSFSCA-UHFFFAOYSA-N 1 2 285.351 0.188 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC(=C)C)C2)nn1 ZINC001105252267 811873278 /nfs/dbraw/zinc/87/32/78/811873278.db2.gz GYPPFPUBBFNXTC-UHFFFAOYSA-N 1 2 287.367 0.741 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C(F)F)C1 ZINC001268017479 811958785 /nfs/dbraw/zinc/95/87/85/811958785.db2.gz JPAFUHJHGYFUON-SNVBAGLBSA-N 1 2 278.299 0.271 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C(F)F)C1 ZINC001268017479 811958790 /nfs/dbraw/zinc/95/87/90/811958790.db2.gz JPAFUHJHGYFUON-SNVBAGLBSA-N 1 2 278.299 0.271 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001077387298 815490688 /nfs/dbraw/zinc/49/06/88/815490688.db2.gz GZSDCNMDAWUGDH-GHMZBOCLSA-N 1 2 293.392 0.593 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001077387298 815490692 /nfs/dbraw/zinc/49/06/92/815490692.db2.gz GZSDCNMDAWUGDH-GHMZBOCLSA-N 1 2 293.392 0.593 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553259 812035584 /nfs/dbraw/zinc/03/55/84/812035584.db2.gz SPANLYRVRJQGSM-SECBINFHSA-N 1 2 259.737 0.147 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553259 812035589 /nfs/dbraw/zinc/03/55/89/812035589.db2.gz SPANLYRVRJQGSM-SECBINFHSA-N 1 2 259.737 0.147 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001027860577 812102022 /nfs/dbraw/zinc/10/20/22/812102022.db2.gz JSPBQYDIRZOEHZ-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001027860577 812102025 /nfs/dbraw/zinc/10/20/25/812102025.db2.gz JSPBQYDIRZOEHZ-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001126331903 812346030 /nfs/dbraw/zinc/34/60/30/812346030.db2.gz DDZXPWGUOWSLTI-LLVKDONJSA-N 1 2 294.355 0.786 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001268225364 812382043 /nfs/dbraw/zinc/38/20/43/812382043.db2.gz ZORPOYUSRYDWHL-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001268225364 812382051 /nfs/dbraw/zinc/38/20/51/812382051.db2.gz ZORPOYUSRYDWHL-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C1(C)CCC1 ZINC001268245831 812412444 /nfs/dbraw/zinc/41/24/44/812412444.db2.gz UBSPYTNYVXJOKQ-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C1(C)CCC1 ZINC001268245831 812412448 /nfs/dbraw/zinc/41/24/48/812412448.db2.gz UBSPYTNYVXJOKQ-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(CF)CCC1 ZINC001268251972 812417825 /nfs/dbraw/zinc/41/78/25/812417825.db2.gz SNZKIMIXFQORJO-UHFFFAOYSA-N 1 2 297.374 0.266 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(CF)CCC1 ZINC001268251972 812417829 /nfs/dbraw/zinc/41/78/29/812417829.db2.gz SNZKIMIXFQORJO-UHFFFAOYSA-N 1 2 297.374 0.266 20 30 CCEDLO CN(CC#N)CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268253378 812418515 /nfs/dbraw/zinc/41/85/15/812418515.db2.gz QJQVDXUBOCWPFU-UHFFFAOYSA-N 1 2 282.388 0.011 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2c(C)ncn2C)C1 ZINC001268327131 812488989 /nfs/dbraw/zinc/48/89/89/812488989.db2.gz HJZFFMDGQZGAHD-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001268332230 812494103 /nfs/dbraw/zinc/49/41/03/812494103.db2.gz HJJCWYPAWQUMKH-UHFFFAOYSA-N 1 2 296.346 0.469 20 30 CCEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058946522 812577472 /nfs/dbraw/zinc/57/74/72/812577472.db2.gz IGXHLXUCAMBDBO-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001268496343 812703617 /nfs/dbraw/zinc/70/36/17/812703617.db2.gz SZIWGUBYLVZTGG-UHFFFAOYSA-N 1 2 265.357 0.137 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001077429103 815556648 /nfs/dbraw/zinc/55/66/48/815556648.db2.gz FASGRVSZIKZWPQ-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001077429103 815556653 /nfs/dbraw/zinc/55/66/53/815556653.db2.gz FASGRVSZIKZWPQ-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001268824898 813103364 /nfs/dbraw/zinc/10/33/64/813103364.db2.gz JQRXSQIOXIHWLN-UHFFFAOYSA-N 1 2 293.411 0.562 20 30 CCEDLO CCCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001268935268 813154798 /nfs/dbraw/zinc/15/47/98/813154798.db2.gz REZYJFZSROHQLZ-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO CCCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001268935268 813154804 /nfs/dbraw/zinc/15/48/04/813154804.db2.gz REZYJFZSROHQLZ-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCc1ccncc1 ZINC001268970146 813164318 /nfs/dbraw/zinc/16/43/18/813164318.db2.gz YIRNNZMHUYXDJN-BPUTZDHNSA-N 1 2 299.374 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCc1ccncc1 ZINC001268970146 813164321 /nfs/dbraw/zinc/16/43/21/813164321.db2.gz YIRNNZMHUYXDJN-BPUTZDHNSA-N 1 2 299.374 0.905 20 30 CCEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001059077215 813222880 /nfs/dbraw/zinc/22/28/80/813222880.db2.gz VELJGCLLKSGROI-JTQLQIEISA-N 1 2 297.322 0.327 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNCC#N)C1CC1 ZINC001269140537 813235959 /nfs/dbraw/zinc/23/59/59/813235959.db2.gz MBZPIWFPBMCWHP-LBPRGKRZSA-N 1 2 261.329 0.269 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001269326669 813326933 /nfs/dbraw/zinc/32/69/33/813326933.db2.gz MERZSDNIVUOTPZ-HIFRSBDPSA-N 1 2 280.368 0.253 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001269326669 813326936 /nfs/dbraw/zinc/32/69/36/813326936.db2.gz MERZSDNIVUOTPZ-HIFRSBDPSA-N 1 2 280.368 0.253 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001269772839 813502643 /nfs/dbraw/zinc/50/26/43/813502643.db2.gz KMCKBNOKLHOPLM-UHFFFAOYSA-N 1 2 288.351 0.845 20 30 CCEDLO CC#CCCCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001269839369 813526127 /nfs/dbraw/zinc/52/61/27/813526127.db2.gz OZSWDEKBDSVGBZ-UHFFFAOYSA-N 1 2 289.383 0.614 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001028976531 813717213 /nfs/dbraw/zinc/71/72/13/813717213.db2.gz KWMBZNKWWKLJPQ-NSHDSACASA-N 1 2 283.335 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001028976531 813717218 /nfs/dbraw/zinc/71/72/18/813717218.db2.gz KWMBZNKWWKLJPQ-NSHDSACASA-N 1 2 283.335 0.643 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001270435964 813761766 /nfs/dbraw/zinc/76/17/66/813761766.db2.gz IVAAMHVCQFWESP-RYUDHWBXSA-N 1 2 275.356 0.311 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001270599736 813831590 /nfs/dbraw/zinc/83/15/90/813831590.db2.gz MLFBMFIGVBNHEY-AAEUAGOBSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001270599736 813831599 /nfs/dbraw/zinc/83/15/99/813831599.db2.gz MLFBMFIGVBNHEY-AAEUAGOBSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](OC)C2CC2)C1 ZINC001270638092 813862685 /nfs/dbraw/zinc/86/26/85/813862685.db2.gz IXPVFFXUBQWBEO-QWHCGFSZSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](OC)C2CC2)C1 ZINC001270638092 813862691 /nfs/dbraw/zinc/86/26/91/813862691.db2.gz IXPVFFXUBQWBEO-QWHCGFSZSA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001270716913 813904409 /nfs/dbraw/zinc/90/44/09/813904409.db2.gz RNPYQRCGSNZZQS-UHFFFAOYSA-N 1 2 266.341 0.165 20 30 CCEDLO CC#CC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001270716913 813904413 /nfs/dbraw/zinc/90/44/13/813904413.db2.gz RNPYQRCGSNZZQS-UHFFFAOYSA-N 1 2 266.341 0.165 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211868783 814031461 /nfs/dbraw/zinc/03/14/61/814031461.db2.gz QYZSQTIMFUBUCY-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211868783 814031469 /nfs/dbraw/zinc/03/14/69/814031469.db2.gz QYZSQTIMFUBUCY-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646736 814180976 /nfs/dbraw/zinc/18/09/76/814180976.db2.gz QKPBLNZROAUFBH-FRRDWIJNSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646736 814180980 /nfs/dbraw/zinc/18/09/80/814180980.db2.gz QKPBLNZROAUFBH-FRRDWIJNSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001280408697 814484995 /nfs/dbraw/zinc/48/49/95/814484995.db2.gz HLMQFXOZJPDPNM-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001280408697 814484998 /nfs/dbraw/zinc/48/49/98/814484998.db2.gz HLMQFXOZJPDPNM-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029677014 814535459 /nfs/dbraw/zinc/53/54/59/814535459.db2.gz HTNXFXWTCFYCRG-VXGBXAGGSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029677014 814535461 /nfs/dbraw/zinc/53/54/61/814535461.db2.gz HTNXFXWTCFYCRG-VXGBXAGGSA-N 1 2 290.371 0.255 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C)on1 ZINC001271958039 814650668 /nfs/dbraw/zinc/65/06/68/814650668.db2.gz OJNISZZKOQJBJO-UHFFFAOYSA-N 1 2 294.355 0.289 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C)on1 ZINC001271958039 814650672 /nfs/dbraw/zinc/65/06/72/814650672.db2.gz OJNISZZKOQJBJO-UHFFFAOYSA-N 1 2 294.355 0.289 20 30 CCEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105453452 814892183 /nfs/dbraw/zinc/89/21/83/814892183.db2.gz FGPKPVPSMZARMN-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105454351 814893252 /nfs/dbraw/zinc/89/32/52/814893252.db2.gz WAXLBFRUQUZZEM-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001127040154 815590384 /nfs/dbraw/zinc/59/03/84/815590384.db2.gz ZJTYISYBYKSNPU-JTQLQIEISA-N 1 2 292.339 0.191 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@@H](O)C1 ZINC001083673017 815645929 /nfs/dbraw/zinc/64/59/29/815645929.db2.gz HIIJWGWCXQGCNF-KGLIPLIRSA-N 1 2 288.347 0.567 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCC3)[C@@H](O)C1 ZINC001083673017 815645932 /nfs/dbraw/zinc/64/59/32/815645932.db2.gz HIIJWGWCXQGCNF-KGLIPLIRSA-N 1 2 288.347 0.567 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCOC ZINC001038391433 815961255 /nfs/dbraw/zinc/96/12/55/815961255.db2.gz YKQQHNWFWXZMHO-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCOC ZINC001038391433 815961258 /nfs/dbraw/zinc/96/12/58/815961258.db2.gz YKQQHNWFWXZMHO-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001030313884 815971989 /nfs/dbraw/zinc/97/19/89/815971989.db2.gz IQECOQAZGKEWKR-LBPRGKRZSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001030328637 815978680 /nfs/dbraw/zinc/97/86/80/815978680.db2.gz REHVBRPATDCSEE-CVEARBPZSA-N 1 2 299.374 0.983 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001030423509 816030894 /nfs/dbraw/zinc/03/08/94/816030894.db2.gz VLSIGROIIXHBTJ-UHFFFAOYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001030445173 816041487 /nfs/dbraw/zinc/04/14/87/816041487.db2.gz XOSYFSUHARPURV-UHFFFAOYSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001030521266 816084737 /nfs/dbraw/zinc/08/47/37/816084737.db2.gz CUOJLEILLMIWBP-GFCCVEGCSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001030537801 816095214 /nfs/dbraw/zinc/09/52/14/816095214.db2.gz LOICOIRCMPANNS-UHFFFAOYSA-N 1 2 296.330 0.132 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001030550819 816102462 /nfs/dbraw/zinc/10/24/62/816102462.db2.gz JVEJGRSNAYYENM-LLVKDONJSA-N 1 2 294.786 0.998 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001030552746 816103808 /nfs/dbraw/zinc/10/38/08/816103808.db2.gz OTGLUEORRLZSMV-LBPRGKRZSA-N 1 2 274.368 0.822 20 30 CCEDLO C#CCN1CC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001030554237 816105250 /nfs/dbraw/zinc/10/52/50/816105250.db2.gz JTFKGVZGZGDCPM-NSHDSACASA-N 1 2 272.352 0.257 20 30 CCEDLO C#CCN1CC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001030554237 816105258 /nfs/dbraw/zinc/10/52/58/816105258.db2.gz JTFKGVZGZGDCPM-NSHDSACASA-N 1 2 272.352 0.257 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001030579718 816120673 /nfs/dbraw/zinc/12/06/73/816120673.db2.gz NXVIBWJPRAJDKN-UHFFFAOYSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001030668804 816198338 /nfs/dbraw/zinc/19/83/38/816198338.db2.gz HBROBINLNSEROI-UHFFFAOYSA-N 1 2 282.347 0.929 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001030743558 816260465 /nfs/dbraw/zinc/26/04/65/816260465.db2.gz OPIAIMVFZKRNBR-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ncccc2F)C1 ZINC001030846594 816339436 /nfs/dbraw/zinc/33/94/36/816339436.db2.gz WFSSBQOJLVRELY-UHFFFAOYSA-N 1 2 261.300 0.587 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ncccc2OC)C1 ZINC001030848400 816343722 /nfs/dbraw/zinc/34/37/22/816343722.db2.gz ZVULWPQBYYWOKT-UHFFFAOYSA-N 1 2 273.336 0.456 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001031152695 816709627 /nfs/dbraw/zinc/70/96/27/816709627.db2.gz UAECALRQZNVHLT-UHFFFAOYSA-N 1 2 274.368 0.976 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2ccccc2)[C@H](CO)C1 ZINC000699519647 816756766 /nfs/dbraw/zinc/75/67/66/816756766.db2.gz NXLGKXYJHLKKLX-AWEZNQCLSA-N 1 2 258.321 0.173 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2ccccc2)[C@H](CO)C1 ZINC000699519647 816756769 /nfs/dbraw/zinc/75/67/69/816756769.db2.gz NXLGKXYJHLKKLX-AWEZNQCLSA-N 1 2 258.321 0.173 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nc3ccccn3c2F)C1 ZINC001031199041 816784451 /nfs/dbraw/zinc/78/44/51/816784451.db2.gz IAZCFQUPYQXXTE-UHFFFAOYSA-N 1 2 286.310 0.911 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001031630649 817202774 /nfs/dbraw/zinc/20/27/74/817202774.db2.gz QIRGAIWYZYYVOX-UHFFFAOYSA-N 1 2 285.775 0.265 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@H](OC)C1 ZINC001212248427 817218515 /nfs/dbraw/zinc/21/85/15/817218515.db2.gz DBGCLYGFBUIOSE-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@H](OC)C1 ZINC001212248427 817218518 /nfs/dbraw/zinc/21/85/18/817218518.db2.gz DBGCLYGFBUIOSE-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001077555171 817231617 /nfs/dbraw/zinc/23/16/17/817231617.db2.gz BCTSCTFDUYFBJM-HUUCEWRRSA-N 1 2 299.374 0.298 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001077555171 817231625 /nfs/dbraw/zinc/23/16/25/817231625.db2.gz BCTSCTFDUYFBJM-HUUCEWRRSA-N 1 2 299.374 0.298 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001031728772 817295223 /nfs/dbraw/zinc/29/52/23/817295223.db2.gz ZRICRHDEEATWPN-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001124765077 817568524 /nfs/dbraw/zinc/56/85/24/817568524.db2.gz KEPNBAFKKKZFMQ-UHFFFAOYSA-N 1 2 268.317 0.040 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124895820 817621610 /nfs/dbraw/zinc/62/16/10/817621610.db2.gz JMBQBIAJOGIEHF-RKDXNWHRSA-N 1 2 281.316 0.142 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2ncn[nH]2)C1 ZINC001089888041 817668647 /nfs/dbraw/zinc/66/86/47/817668647.db2.gz CDMHVEGMKCLKJO-XUXIUFHCSA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2ncn[nH]2)C1 ZINC001089888041 817668650 /nfs/dbraw/zinc/66/86/50/817668650.db2.gz CDMHVEGMKCLKJO-XUXIUFHCSA-N 1 2 299.378 0.149 20 30 CCEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001107239900 817816505 /nfs/dbraw/zinc/81/65/05/817816505.db2.gz AOIVZPYSDLGXGB-OWOJBTEDSA-N 1 2 297.322 0.329 20 30 CCEDLO C#CCOCCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107345358 817839774 /nfs/dbraw/zinc/83/97/74/817839774.db2.gz ZOGKTKLUBSKBAY-SNAWJCMRSA-N 1 2 288.351 0.909 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccnc2)C1 ZINC001107694899 817945660 /nfs/dbraw/zinc/94/56/60/817945660.db2.gz PTGSALXZJKDJNP-MRXNPFEDSA-N 1 2 287.363 0.926 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccnc2)C1 ZINC001107694899 817945664 /nfs/dbraw/zinc/94/56/64/817945664.db2.gz PTGSALXZJKDJNP-MRXNPFEDSA-N 1 2 287.363 0.926 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c(=O)c1 ZINC001032350715 817952921 /nfs/dbraw/zinc/95/29/21/817952921.db2.gz TYVYYTLHUZBBTQ-RYUDHWBXSA-N 1 2 257.293 0.319 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c(=O)c1 ZINC001032350715 817952928 /nfs/dbraw/zinc/95/29/28/817952928.db2.gz TYVYYTLHUZBBTQ-RYUDHWBXSA-N 1 2 257.293 0.319 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCO1 ZINC001032350846 817956802 /nfs/dbraw/zinc/95/68/02/817956802.db2.gz RSKHOQOVBZGVQN-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCO1 ZINC001032350846 817956808 /nfs/dbraw/zinc/95/68/08/817956808.db2.gz RSKHOQOVBZGVQN-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2)C1 ZINC001107729809 817972336 /nfs/dbraw/zinc/97/23/36/817972336.db2.gz QAOPFUKBUWPJEN-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2)C1 ZINC001107729809 817972341 /nfs/dbraw/zinc/97/23/41/817972341.db2.gz QAOPFUKBUWPJEN-CQSZACIVSA-N 1 2 278.356 0.427 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCO1 ZINC001032357589 817980852 /nfs/dbraw/zinc/98/08/52/817980852.db2.gz XASUPCCBFOCJHJ-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCO1 ZINC001032357589 817980855 /nfs/dbraw/zinc/98/08/55/817980855.db2.gz XASUPCCBFOCJHJ-MELADBBJSA-N 1 2 262.353 0.864 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001043442887 818081587 /nfs/dbraw/zinc/08/15/87/818081587.db2.gz ZFVMNJZITPEABT-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006350 818263024 /nfs/dbraw/zinc/26/30/24/818263024.db2.gz KTFZTYZDGKYBKL-DGCLKSJQSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006350 818263030 /nfs/dbraw/zinc/26/30/30/818263030.db2.gz KTFZTYZDGKYBKL-DGCLKSJQSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006349 818263144 /nfs/dbraw/zinc/26/31/44/818263144.db2.gz KTFZTYZDGKYBKL-AAEUAGOBSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001090006349 818263148 /nfs/dbraw/zinc/26/31/48/818263148.db2.gz KTFZTYZDGKYBKL-AAEUAGOBSA-N 1 2 295.770 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032935970 818370742 /nfs/dbraw/zinc/37/07/42/818370742.db2.gz UWSJHWZHCFSYLZ-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032935970 818370749 /nfs/dbraw/zinc/37/07/49/818370749.db2.gz UWSJHWZHCFSYLZ-SECBINFHSA-N 1 2 250.327 0.318 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032960776 818389421 /nfs/dbraw/zinc/38/94/21/818389421.db2.gz ATIAPSHGUCSYPN-WDEREUQCSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032960776 818389427 /nfs/dbraw/zinc/38/94/27/818389427.db2.gz ATIAPSHGUCSYPN-WDEREUQCSA-N 1 2 285.775 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090087124 818485795 /nfs/dbraw/zinc/48/57/95/818485795.db2.gz IHIGUUPRURMBEZ-AAEUAGOBSA-N 1 2 297.786 0.943 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001090087124 818485798 /nfs/dbraw/zinc/48/57/98/818485798.db2.gz IHIGUUPRURMBEZ-AAEUAGOBSA-N 1 2 297.786 0.943 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CC2)[C@@H](O)C1 ZINC001083844605 818578932 /nfs/dbraw/zinc/57/89/32/818578932.db2.gz NJPLCUQXSPKJHR-MNOVXSKESA-N 1 2 293.392 0.981 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2C2CC2)[C@@H](O)C1 ZINC001083844605 818578936 /nfs/dbraw/zinc/57/89/36/818578936.db2.gz NJPLCUQXSPKJHR-MNOVXSKESA-N 1 2 293.392 0.981 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001117654031 818586364 /nfs/dbraw/zinc/58/63/64/818586364.db2.gz SDFRQVWVNHFAJF-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C#CCN1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108106950 818719283 /nfs/dbraw/zinc/71/92/83/818719283.db2.gz LVWODGNNYALJSL-OAHLLOKOSA-N 1 2 290.367 0.114 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033428902 818775207 /nfs/dbraw/zinc/77/52/07/818775207.db2.gz HLGJDLOPVXHKQO-MXWKQRLJSA-N 1 2 285.775 0.393 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033428902 818775213 /nfs/dbraw/zinc/77/52/13/818775213.db2.gz HLGJDLOPVXHKQO-MXWKQRLJSA-N 1 2 285.775 0.393 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC=C)[C@@H](n2ccnn2)C1 ZINC001128803041 819027154 /nfs/dbraw/zinc/02/71/54/819027154.db2.gz FUUZKUBHINFUOV-OLZOCXBDSA-N 1 2 273.340 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC=C)[C@@H](n2ccnn2)C1 ZINC001128803041 819027160 /nfs/dbraw/zinc/02/71/60/819027160.db2.gz FUUZKUBHINFUOV-OLZOCXBDSA-N 1 2 273.340 0.219 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108156045 819325794 /nfs/dbraw/zinc/32/57/94/819325794.db2.gz WKOUVOOTYDFATA-CQSZACIVSA-N 1 2 279.340 0.610 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108156045 819325797 /nfs/dbraw/zinc/32/57/97/819325797.db2.gz WKOUVOOTYDFATA-CQSZACIVSA-N 1 2 279.340 0.610 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935516 819365004 /nfs/dbraw/zinc/36/50/04/819365004.db2.gz SNZUFFRZVGTURH-CYBMUJFWSA-N 1 2 288.351 0.872 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001035270613 819435278 /nfs/dbraw/zinc/43/52/78/819435278.db2.gz LMYLJCQAURMTFK-LBPRGKRZSA-N 1 2 262.309 0.734 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001035270613 819435281 /nfs/dbraw/zinc/43/52/81/819435281.db2.gz LMYLJCQAURMTFK-LBPRGKRZSA-N 1 2 262.309 0.734 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035296798 819441807 /nfs/dbraw/zinc/44/18/07/819441807.db2.gz PVBIBOSGJVXYGZ-CYBMUJFWSA-N 1 2 288.347 0.846 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035296798 819441810 /nfs/dbraw/zinc/44/18/10/819441810.db2.gz PVBIBOSGJVXYGZ-CYBMUJFWSA-N 1 2 288.347 0.846 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035304149 819455548 /nfs/dbraw/zinc/45/55/48/819455548.db2.gz VAGGLOZFPWFOMU-SNVBAGLBSA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035304149 819455552 /nfs/dbraw/zinc/45/55/52/819455552.db2.gz VAGGLOZFPWFOMU-SNVBAGLBSA-N 1 2 250.302 0.026 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035308952 819459915 /nfs/dbraw/zinc/45/99/15/819459915.db2.gz HGELPLLFIMPLOS-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035308952 819459918 /nfs/dbraw/zinc/45/99/18/819459918.db2.gz HGELPLLFIMPLOS-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001035320781 819468727 /nfs/dbraw/zinc/46/87/27/819468727.db2.gz SODRJRTYENDHKV-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001035320781 819468729 /nfs/dbraw/zinc/46/87/29/819468729.db2.gz SODRJRTYENDHKV-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035324568 819471913 /nfs/dbraw/zinc/47/19/13/819471913.db2.gz SRPZUJNDLVPIDX-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035324568 819471916 /nfs/dbraw/zinc/47/19/16/819471916.db2.gz SRPZUJNDLVPIDX-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccn2CC)C1 ZINC001035356908 819496870 /nfs/dbraw/zinc/49/68/70/819496870.db2.gz YWSIVUGWOSTNSV-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccn2CC)C1 ZINC001035356908 819496872 /nfs/dbraw/zinc/49/68/72/819496872.db2.gz YWSIVUGWOSTNSV-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428362 819513357 /nfs/dbraw/zinc/51/33/57/819513357.db2.gz YQMQONSKJZOCNV-LBPRGKRZSA-N 1 2 290.367 0.426 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428362 819513360 /nfs/dbraw/zinc/51/33/60/819513360.db2.gz YQMQONSKJZOCNV-LBPRGKRZSA-N 1 2 290.367 0.426 20 30 CCEDLO N#CCN1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035416875 819519816 /nfs/dbraw/zinc/51/98/16/819519816.db2.gz NKBHHMNACJTCNY-GFCCVEGCSA-N 1 2 299.334 0.517 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001035469814 819538323 /nfs/dbraw/zinc/53/83/23/819538323.db2.gz HKPNJGTWLDNWIE-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001035469814 819538326 /nfs/dbraw/zinc/53/83/26/819538326.db2.gz HKPNJGTWLDNWIE-CYBMUJFWSA-N 1 2 291.351 0.707 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507967 819544260 /nfs/dbraw/zinc/54/42/60/819544260.db2.gz GRRGBJPBWOSNNY-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001035507967 819544265 /nfs/dbraw/zinc/54/42/65/819544265.db2.gz GRRGBJPBWOSNNY-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533193 819557333 /nfs/dbraw/zinc/55/73/33/819557333.db2.gz MHKRQAODXOLULD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533193 819557335 /nfs/dbraw/zinc/55/73/35/819557335.db2.gz MHKRQAODXOLULD-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO CCCCCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000705760124 819558937 /nfs/dbraw/zinc/55/89/37/819558937.db2.gz ZXUVQICHJFWJQE-GFCCVEGCSA-N 1 2 269.389 0.893 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035782203 819624887 /nfs/dbraw/zinc/62/48/87/819624887.db2.gz JHDWBYGDMMUBFZ-HNNXBMFYSA-N 1 2 293.411 0.998 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001129233619 819703112 /nfs/dbraw/zinc/70/31/12/819703112.db2.gz VRDYYOYVBDRBTJ-MNOVXSKESA-N 1 2 297.309 0.298 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@@H](n2ccnn2)C1 ZINC001129233619 819703115 /nfs/dbraw/zinc/70/31/15/819703115.db2.gz VRDYYOYVBDRBTJ-MNOVXSKESA-N 1 2 297.309 0.298 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000710286281 819825329 /nfs/dbraw/zinc/82/53/29/819825329.db2.gz VQYWWLPUQSFFAS-UHFFFAOYSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000710286281 819825337 /nfs/dbraw/zinc/82/53/37/819825337.db2.gz VQYWWLPUQSFFAS-UHFFFAOYSA-N 1 2 258.387 0.756 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278210 820063932 /nfs/dbraw/zinc/06/39/32/820063932.db2.gz BSBGLOLZRULSCS-VXGBXAGGSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC001090278210 820063942 /nfs/dbraw/zinc/06/39/42/820063942.db2.gz BSBGLOLZRULSCS-VXGBXAGGSA-N 1 2 283.759 0.932 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001108184781 820096732 /nfs/dbraw/zinc/09/67/32/820096732.db2.gz XSAQJFSXDNMWLC-CQSZACIVSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001108184781 820096738 /nfs/dbraw/zinc/09/67/38/820096738.db2.gz XSAQJFSXDNMWLC-CQSZACIVSA-N 1 2 294.355 0.132 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000712272275 820301195 /nfs/dbraw/zinc/30/11/95/820301195.db2.gz QQQRWSZSSLHXFU-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000712272275 820301207 /nfs/dbraw/zinc/30/12/07/820301207.db2.gz QQQRWSZSSLHXFU-LLVKDONJSA-N 1 2 265.338 0.541 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001081370319 820749297 /nfs/dbraw/zinc/74/92/97/820749297.db2.gz XKBBVOCAZFGPLM-TZMCWYRMSA-N 1 2 274.320 0.454 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001081370319 820749302 /nfs/dbraw/zinc/74/93/02/820749302.db2.gz XKBBVOCAZFGPLM-TZMCWYRMSA-N 1 2 274.320 0.454 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001081570541 820790707 /nfs/dbraw/zinc/79/07/07/820790707.db2.gz NADBYHUZULQZOO-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001081570541 820790710 /nfs/dbraw/zinc/79/07/10/820790710.db2.gz NADBYHUZULQZOO-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@H](OC)C1 ZINC001081943551 820867134 /nfs/dbraw/zinc/86/71/34/820867134.db2.gz RQWZYQUASQCMEJ-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@H](OC)C1 ZINC001081943551 820867144 /nfs/dbraw/zinc/86/71/44/820867144.db2.gz RQWZYQUASQCMEJ-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@H](OC)C1 ZINC001082016359 820879644 /nfs/dbraw/zinc/87/96/44/820879644.db2.gz KMCHYNJZCHGKTK-VXGBXAGGSA-N 1 2 294.376 0.819 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@H](OC)C1 ZINC001082016359 820879656 /nfs/dbraw/zinc/87/96/56/820879656.db2.gz KMCHYNJZCHGKTK-VXGBXAGGSA-N 1 2 294.376 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@H](OC)C1 ZINC001082320942 820937456 /nfs/dbraw/zinc/93/74/56/820937456.db2.gz UQWWFPISDRSAGM-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@H](OC)C1 ZINC001082320942 820937461 /nfs/dbraw/zinc/93/74/61/820937461.db2.gz UQWWFPISDRSAGM-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H](OC)C1 ZINC001082327125 820939948 /nfs/dbraw/zinc/93/99/48/820939948.db2.gz DPNKDQBJGJXIDB-VXGBXAGGSA-N 1 2 290.367 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H](OC)C1 ZINC001082327125 820939955 /nfs/dbraw/zinc/93/99/55/820939955.db2.gz DPNKDQBJGJXIDB-VXGBXAGGSA-N 1 2 290.367 0.136 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@H](OC)C1 ZINC001082354329 820944002 /nfs/dbraw/zinc/94/40/02/820944002.db2.gz QDPWKHXGRNWRSQ-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@H](OC)C1 ZINC001082354329 820944007 /nfs/dbraw/zinc/94/40/07/820944007.db2.gz QDPWKHXGRNWRSQ-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@H](OC)C1 ZINC001082373401 820950645 /nfs/dbraw/zinc/95/06/45/820950645.db2.gz HVBFESSIJHBUBR-ZIAGYGMSSA-N 1 2 288.351 0.101 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@H](OC)C1 ZINC001082373401 820950653 /nfs/dbraw/zinc/95/06/53/820950653.db2.gz HVBFESSIJHBUBR-ZIAGYGMSSA-N 1 2 288.351 0.101 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083024538 821113521 /nfs/dbraw/zinc/11/35/21/821113521.db2.gz QVEMPFCQKAKTAU-QWACZNHSSA-N 1 2 283.759 0.810 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083024538 821113526 /nfs/dbraw/zinc/11/35/26/821113526.db2.gz QVEMPFCQKAKTAU-QWACZNHSSA-N 1 2 283.759 0.810 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083006289 821119161 /nfs/dbraw/zinc/11/91/61/821119161.db2.gz BPLYOFFARGTSFB-RWMBFGLXSA-N 1 2 282.409 0.673 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083006289 821119169 /nfs/dbraw/zinc/11/91/69/821119169.db2.gz BPLYOFFARGTSFB-RWMBFGLXSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001083115836 821136975 /nfs/dbraw/zinc/13/69/75/821136975.db2.gz GGISXIZNVMBLPB-NWDGAFQWSA-N 1 2 277.349 0.302 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001083115836 821136983 /nfs/dbraw/zinc/13/69/83/821136983.db2.gz GGISXIZNVMBLPB-NWDGAFQWSA-N 1 2 277.349 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(CC)c3)[C@H]2C1 ZINC001083144548 821148101 /nfs/dbraw/zinc/14/81/01/821148101.db2.gz MSNWSUCEEJJHOU-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(CC)c3)[C@H]2C1 ZINC001083144548 821148104 /nfs/dbraw/zinc/14/81/04/821148104.db2.gz MSNWSUCEEJJHOU-JKSUJKDBSA-N 1 2 299.374 0.802 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CCOC3)[C@H]2C1 ZINC001083175038 821155435 /nfs/dbraw/zinc/15/54/35/821155435.db2.gz IDLNFKULOTYAQV-GZBFAFLISA-N 1 2 296.342 0.050 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CCOC3)[C@H]2C1 ZINC001083175038 821155439 /nfs/dbraw/zinc/15/54/39/821155439.db2.gz IDLNFKULOTYAQV-GZBFAFLISA-N 1 2 296.342 0.050 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)[C@@H](O)C1 ZINC001084013068 821182437 /nfs/dbraw/zinc/18/24/37/821182437.db2.gz MVOQNEPJRHOSOQ-CABCVRRESA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)[C@@H](O)C1 ZINC001084013068 821182448 /nfs/dbraw/zinc/18/24/48/821182448.db2.gz MVOQNEPJRHOSOQ-CABCVRRESA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](O)C1 ZINC001084007722 821182907 /nfs/dbraw/zinc/18/29/07/821182907.db2.gz FOYDLDNEMWRTSN-BDAKNGLRSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](O)C1 ZINC001084007722 821182910 /nfs/dbraw/zinc/18/29/10/821182910.db2.gz FOYDLDNEMWRTSN-BDAKNGLRSA-N 1 2 284.262 0.625 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084312475 821266313 /nfs/dbraw/zinc/26/63/13/821266313.db2.gz RTIUVMSJENNKFG-VXGBXAGGSA-N 1 2 273.340 0.399 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099821436 821367833 /nfs/dbraw/zinc/36/78/33/821367833.db2.gz UYZMCBTYWBZPHV-RYUDHWBXSA-N 1 2 256.321 0.167 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099821436 821367840 /nfs/dbraw/zinc/36/78/40/821367840.db2.gz UYZMCBTYWBZPHV-RYUDHWBXSA-N 1 2 256.321 0.167 20 30 CCEDLO CC[NH+]1CC(Oc2cc(C(=O)NO)ccc2O)C1 ZINC001229965683 821391217 /nfs/dbraw/zinc/39/12/17/821391217.db2.gz ZRYPJQJKAYNDNB-UHFFFAOYSA-N 1 2 252.270 0.594 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084805814 821397397 /nfs/dbraw/zinc/39/73/97/821397397.db2.gz HPMLKEWCGZEMQO-TZMCWYRMSA-N 1 2 287.367 0.409 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230555991 821433238 /nfs/dbraw/zinc/43/32/38/821433238.db2.gz ARSWZHFZBKQLHS-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230555991 821433234 /nfs/dbraw/zinc/43/32/34/821433234.db2.gz ARSWZHFZBKQLHS-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001085492730 821740068 /nfs/dbraw/zinc/74/00/68/821740068.db2.gz DCDNRVLLPVFIMU-LBPRGKRZSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001085492730 821740071 /nfs/dbraw/zinc/74/00/71/821740071.db2.gz DCDNRVLLPVFIMU-LBPRGKRZSA-N 1 2 260.341 0.752 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccnc1N ZINC001085524961 821769373 /nfs/dbraw/zinc/76/93/73/821769373.db2.gz ZDMWOYUGBSQKPQ-NSHDSACASA-N 1 2 273.340 0.228 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccnc1N ZINC001085524961 821769377 /nfs/dbraw/zinc/76/93/77/821769377.db2.gz ZDMWOYUGBSQKPQ-NSHDSACASA-N 1 2 273.340 0.228 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085557773 821791430 /nfs/dbraw/zinc/79/14/30/821791430.db2.gz ZPXUDSOGSVOAIR-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085557773 821791432 /nfs/dbraw/zinc/79/14/32/821791432.db2.gz ZPXUDSOGSVOAIR-NSHDSACASA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001085622044 821856500 /nfs/dbraw/zinc/85/65/00/821856500.db2.gz IWCOCHJOMSLQSK-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001085622044 821856507 /nfs/dbraw/zinc/85/65/07/821856507.db2.gz IWCOCHJOMSLQSK-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634369 821865212 /nfs/dbraw/zinc/86/52/12/821865212.db2.gz OVPJQGCLMXZOJU-GFCCVEGCSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634369 821865218 /nfs/dbraw/zinc/86/52/18/821865218.db2.gz OVPJQGCLMXZOJU-GFCCVEGCSA-N 1 2 289.383 0.813 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)COCC2 ZINC001085669940 821884939 /nfs/dbraw/zinc/88/49/39/821884939.db2.gz KHOPHAHKOHDAQA-GFCCVEGCSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)COCC2 ZINC001085669940 821884948 /nfs/dbraw/zinc/88/49/48/821884948.db2.gz KHOPHAHKOHDAQA-GFCCVEGCSA-N 1 2 288.351 0.193 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667389 821888577 /nfs/dbraw/zinc/88/85/77/821888577.db2.gz GYSWZMRSVMTSEC-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667389 821888582 /nfs/dbraw/zinc/88/85/82/821888582.db2.gz GYSWZMRSVMTSEC-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680882 821895238 /nfs/dbraw/zinc/89/52/38/821895238.db2.gz ONEJJFVEFDMIAR-TZMCWYRMSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680389 821895281 /nfs/dbraw/zinc/89/52/81/821895281.db2.gz FKEGADNTHBHSHW-QWHCGFSZSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(N)=O)c1 ZINC001085677735 821897193 /nfs/dbraw/zinc/89/71/93/821897193.db2.gz UBXUZMPBCVNNEC-AWEZNQCLSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(N)=O)c1 ZINC001085677735 821897196 /nfs/dbraw/zinc/89/71/96/821897196.db2.gz UBXUZMPBCVNNEC-AWEZNQCLSA-N 1 2 285.347 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)n1C ZINC001085784493 821952489 /nfs/dbraw/zinc/95/24/89/821952489.db2.gz VIRJCTDPBOQHPD-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)n1C ZINC001085784493 821952496 /nfs/dbraw/zinc/95/24/96/821952496.db2.gz VIRJCTDPBOQHPD-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834356 821973641 /nfs/dbraw/zinc/97/36/41/821973641.db2.gz JDJOKYBUZGTOBR-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834356 821973643 /nfs/dbraw/zinc/97/36/43/821973643.db2.gz JDJOKYBUZGTOBR-CYBMUJFWSA-N 1 2 274.368 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1OC ZINC001085850261 821980915 /nfs/dbraw/zinc/98/09/15/821980915.db2.gz RPQQFKWOEDCUBX-LBPRGKRZSA-N 1 2 290.367 0.517 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1OC ZINC001085850261 821980922 /nfs/dbraw/zinc/98/09/22/821980922.db2.gz RPQQFKWOEDCUBX-LBPRGKRZSA-N 1 2 290.367 0.517 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858619 821984082 /nfs/dbraw/zinc/98/40/82/821984082.db2.gz DWWUBTFPWBQYCZ-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858619 821984089 /nfs/dbraw/zinc/98/40/89/821984089.db2.gz DWWUBTFPWBQYCZ-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108222378 822026982 /nfs/dbraw/zinc/02/69/82/822026982.db2.gz AJODRKQAMVIRSR-IPYPFGDCSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108222378 822026996 /nfs/dbraw/zinc/02/69/96/822026996.db2.gz AJODRKQAMVIRSR-IPYPFGDCSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001085942451 822027023 /nfs/dbraw/zinc/02/70/23/822027023.db2.gz HXLDNGMOSVPOGW-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001085942451 822027032 /nfs/dbraw/zinc/02/70/32/822027032.db2.gz HXLDNGMOSVPOGW-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001085944758 822029927 /nfs/dbraw/zinc/02/99/27/822029927.db2.gz QUFQGLSNVRSGEF-LLVKDONJSA-N 1 2 271.324 0.442 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001085944758 822029937 /nfs/dbraw/zinc/02/99/37/822029937.db2.gz QUFQGLSNVRSGEF-LLVKDONJSA-N 1 2 271.324 0.442 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn2cccnc12 ZINC001085979123 822049564 /nfs/dbraw/zinc/04/95/64/822049564.db2.gz KUKROHKFDDZKON-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn2cccnc12 ZINC001085979123 822049573 /nfs/dbraw/zinc/04/95/73/822049573.db2.gz KUKROHKFDDZKON-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090405664 822136782 /nfs/dbraw/zinc/13/67/82/822136782.db2.gz YQJJYLADNHAMOW-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090405664 822136786 /nfs/dbraw/zinc/13/67/86/822136786.db2.gz YQJJYLADNHAMOW-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001155708027 822235508 /nfs/dbraw/zinc/23/55/08/822235508.db2.gz YQCVYNWTALIXGL-JTQLQIEISA-N 1 2 282.344 0.738 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001086468744 822268261 /nfs/dbraw/zinc/26/82/61/822268261.db2.gz OISJLPSQBMSNLI-KYZUINATSA-N 1 2 250.277 0.280 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108315679 822356658 /nfs/dbraw/zinc/35/66/58/822356658.db2.gz YGAPTZFJBCZYKM-GOEBONIOSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108315679 822356663 /nfs/dbraw/zinc/35/66/63/822356663.db2.gz YGAPTZFJBCZYKM-GOEBONIOSA-N 1 2 296.411 0.889 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114067499 837422417 /nfs/dbraw/zinc/42/24/17/837422417.db2.gz SMJRMVRTHWMVNQ-SNXWAXQRSA-N 1 2 277.353 0.244 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114067499 837422422 /nfs/dbraw/zinc/42/24/22/837422422.db2.gz SMJRMVRTHWMVNQ-SNXWAXQRSA-N 1 2 277.353 0.244 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114161401 837457636 /nfs/dbraw/zinc/45/76/36/837457636.db2.gz GMGFTWAHHVLYNT-NHAGDIPZSA-N 1 2 288.351 0.810 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114161401 837457641 /nfs/dbraw/zinc/45/76/41/837457641.db2.gz GMGFTWAHHVLYNT-NHAGDIPZSA-N 1 2 288.351 0.810 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001187833059 844790562 /nfs/dbraw/zinc/79/05/62/844790562.db2.gz HNAYBDWUYVEPTC-NWDGAFQWSA-N 1 2 277.368 0.054 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001187833059 844790569 /nfs/dbraw/zinc/79/05/69/844790569.db2.gz HNAYBDWUYVEPTC-NWDGAFQWSA-N 1 2 277.368 0.054 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001108433042 836091978 /nfs/dbraw/zinc/09/19/78/836091978.db2.gz WPDCRNWFXYSPDH-HIFRSBDPSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108433042 836091988 /nfs/dbraw/zinc/09/19/88/836091988.db2.gz WPDCRNWFXYSPDH-HIFRSBDPSA-N 1 2 282.384 0.971 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1cncc(C#N)n1 ZINC001108468322 836264734 /nfs/dbraw/zinc/26/47/34/836264734.db2.gz CEYLWIGQWPDKJY-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1ccncc1C#N ZINC001108468346 836265271 /nfs/dbraw/zinc/26/52/71/836265271.db2.gz DCWGVWGIHFOWRA-JTQLQIEISA-N 1 2 298.350 0.566 20 30 CCEDLO COC(=O)Cc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156319694 836277752 /nfs/dbraw/zinc/27/77/52/836277752.db2.gz AULFBXJWCGQUAC-NSHDSACASA-N 1 2 260.297 0.099 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C/C)CC2=O)C1 ZINC001108529715 836427157 /nfs/dbraw/zinc/42/71/57/836427157.db2.gz MVWMTVXVYWKUFF-YFTXEMMHSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C=C(/C)CC)CC2=O)C1 ZINC001108541910 836434080 /nfs/dbraw/zinc/43/40/80/836434080.db2.gz BRYXWKOIZGJIFA-OTAKNEKHSA-N 1 2 291.395 0.930 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169858154 836463600 /nfs/dbraw/zinc/46/36/00/836463600.db2.gz ZGKYAWATJNUSDI-RTBKNWGFSA-N 1 2 295.426 0.403 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001109015137 836599141 /nfs/dbraw/zinc/59/91/41/836599141.db2.gz VZSMUUJKLIHULR-GFCCVEGCSA-N 1 2 298.350 0.791 20 30 CCEDLO C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056363 836607009 /nfs/dbraw/zinc/60/70/09/836607009.db2.gz AYAFPHQFYSGLIV-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109079998 836612776 /nfs/dbraw/zinc/61/27/76/836612776.db2.gz IIASYYBOSPYJGY-NDBYEHHHSA-N 1 2 292.383 0.394 20 30 CCEDLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109079998 836612784 /nfs/dbraw/zinc/61/27/84/836612784.db2.gz IIASYYBOSPYJGY-NDBYEHHHSA-N 1 2 292.383 0.394 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001109246042 836645835 /nfs/dbraw/zinc/64/58/35/836645835.db2.gz MMNDNUGMFKWBIO-RNJOBUHISA-N 1 2 277.368 0.241 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001109246042 836645840 /nfs/dbraw/zinc/64/58/40/836645840.db2.gz MMNDNUGMFKWBIO-RNJOBUHISA-N 1 2 277.368 0.241 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109311475 836655422 /nfs/dbraw/zinc/65/54/22/836655422.db2.gz SWBUCXWSGDQARW-AGIUHOORSA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109311475 836655433 /nfs/dbraw/zinc/65/54/33/836655433.db2.gz SWBUCXWSGDQARW-AGIUHOORSA-N 1 2 291.395 0.810 20 30 CCEDLO CCCC#CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001184268579 844196005 /nfs/dbraw/zinc/19/60/05/844196005.db2.gz BQDDSPUDPCWBFQ-UHFFFAOYSA-N 1 2 290.367 0.957 20 30 CCEDLO C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)CSCC#N)CC2)O1 ZINC001112629932 836832819 /nfs/dbraw/zinc/83/28/19/836832819.db2.gz HQPAGONQEGVSLW-STQMWFEESA-N 1 2 297.424 0.955 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OC)CC1 ZINC001112654340 836843922 /nfs/dbraw/zinc/84/39/22/836843922.db2.gz TVTLFKVKKJGMBM-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOCC(F)F)CC1 ZINC001112861747 836947383 /nfs/dbraw/zinc/94/73/83/836947383.db2.gz SGCUYXARDZUCLX-UHFFFAOYSA-N 1 2 262.300 0.988 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001113126196 837030732 /nfs/dbraw/zinc/03/07/32/837030732.db2.gz BOLUDZGGXJQTRN-KBPBESRZSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@]2(COC)CCOC2)CC1 ZINC001113160480 837040342 /nfs/dbraw/zinc/04/03/42/837040342.db2.gz FLCVLWOKPNCSIV-AWEZNQCLSA-N 1 2 268.357 0.370 20 30 CCEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113313353 837085154 /nfs/dbraw/zinc/08/51/54/837085154.db2.gz HFTXAPRFENDXFV-ZJUUUORDSA-N 1 2 299.338 0.041 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2oncc2C)CC1 ZINC001113488825 837132904 /nfs/dbraw/zinc/13/29/04/837132904.db2.gz QKNMDJUYRBDHFG-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC001113542103 837157734 /nfs/dbraw/zinc/15/77/34/837157734.db2.gz OAQVIBNORSBXFF-NSHDSACASA-N 1 2 282.388 0.400 20 30 CCEDLO COCC#CCN1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113581705 837171101 /nfs/dbraw/zinc/17/11/01/837171101.db2.gz BKTQMQYTIBQONY-UHFFFAOYSA-N 1 2 290.367 0.055 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)cn1 ZINC001113696243 837198355 /nfs/dbraw/zinc/19/83/55/837198355.db2.gz VDLFNTBCYWVVJO-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ncccc1C#N ZINC001113696382 837198420 /nfs/dbraw/zinc/19/84/20/837198420.db2.gz XYUWIQZOMOGUEH-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131730836 838192802 /nfs/dbraw/zinc/19/28/02/838192802.db2.gz PXAHXHDTVQRIEV-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131730836 838192813 /nfs/dbraw/zinc/19/28/13/838192813.db2.gz PXAHXHDTVQRIEV-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(C)=O)CC[C@H]1C ZINC001131748498 838202166 /nfs/dbraw/zinc/20/21/66/838202166.db2.gz VDNDYXDHURUVID-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(C)=O)CC[C@H]1C ZINC001131748498 838202176 /nfs/dbraw/zinc/20/21/76/838202176.db2.gz VDNDYXDHURUVID-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CCN1CC2(C[NH+](CCCc3ccncc3)C2)OCC1=O ZINC001273494006 844313438 /nfs/dbraw/zinc/31/34/38/844313438.db2.gz VSUSSNWAESPJJU-UHFFFAOYSA-N 1 2 299.374 0.561 20 30 CCEDLO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408163 839242248 /nfs/dbraw/zinc/24/22/48/839242248.db2.gz TYGOQPAIPOZAMF-QWRGUYRKSA-N 1 2 296.346 0.685 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090631715 839689330 /nfs/dbraw/zinc/68/93/30/839689330.db2.gz WKYAKBIBQICJQC-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 ZINC001090631715 839689336 /nfs/dbraw/zinc/68/93/36/839689336.db2.gz WKYAKBIBQICJQC-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)nc1 ZINC001090737005 839765284 /nfs/dbraw/zinc/76/52/84/839765284.db2.gz MKROEUSIQIHUEM-OCCSQVGLSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)nc1 ZINC001090737005 839765289 /nfs/dbraw/zinc/76/52/89/839765289.db2.gz MKROEUSIQIHUEM-OCCSQVGLSA-N 1 2 291.326 0.197 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105673 840049080 /nfs/dbraw/zinc/04/90/80/840049080.db2.gz PKSKFVMQZKMKFE-CPCZMJQVSA-N 1 2 287.367 0.453 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC001147283230 840549871 /nfs/dbraw/zinc/54/98/71/840549871.db2.gz FIHZGYMJQBSSFY-UHFFFAOYSA-N 1 2 259.309 0.101 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC001147283230 840549878 /nfs/dbraw/zinc/54/98/78/840549878.db2.gz FIHZGYMJQBSSFY-UHFFFAOYSA-N 1 2 259.309 0.101 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147688979 840658140 /nfs/dbraw/zinc/65/81/40/840658140.db2.gz VRKQDQSDKDYJNR-SECBINFHSA-N 1 2 283.763 0.368 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147688979 840658142 /nfs/dbraw/zinc/65/81/42/840658142.db2.gz VRKQDQSDKDYJNR-SECBINFHSA-N 1 2 283.763 0.368 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148893334 840900248 /nfs/dbraw/zinc/90/02/48/840900248.db2.gz CKSYSDPPWQTNHB-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001098343954 840958287 /nfs/dbraw/zinc/95/82/87/840958287.db2.gz DPFQLSUUEZIHPZ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccc(C#N)nn1 ZINC001098343954 840958294 /nfs/dbraw/zinc/95/82/94/840958294.db2.gz DPFQLSUUEZIHPZ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC1)c1nccn12 ZINC001092338729 841012176 /nfs/dbraw/zinc/01/21/76/841012176.db2.gz OPKMVZTVDUBESA-CYBMUJFWSA-N 1 2 284.363 0.888 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001186986679 844623311 /nfs/dbraw/zinc/62/33/11/844623311.db2.gz GQRGVSBVZLAABP-IJLUTSLNSA-N 1 2 256.309 0.936 20 30 CCEDLO C[C@H](CC(=O)NCCNc1ccnc(C#N)n1)n1cc[nH+]c1 ZINC001094167599 841552601 /nfs/dbraw/zinc/55/26/01/841552601.db2.gz IUCRGBZVDLWGRR-LLVKDONJSA-N 1 2 299.338 0.146 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cnc(C#N)cn1 ZINC001094188727 841560442 /nfs/dbraw/zinc/56/04/42/841560442.db2.gz LCXGCEXUFPWBKP-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cnc(C#N)cn1 ZINC001094188727 841560447 /nfs/dbraw/zinc/56/04/47/841560447.db2.gz LCXGCEXUFPWBKP-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CC(C)C3)nn2)C1 ZINC001094284819 841597974 /nfs/dbraw/zinc/59/79/74/841597974.db2.gz VSBQNCXTAAAPKG-UHFFFAOYSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 ZINC001094770590 841719676 /nfs/dbraw/zinc/71/96/76/841719676.db2.gz APUUYOQESNHRNR-NTZNESFSSA-N 1 2 277.368 0.230 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670016 841953641 /nfs/dbraw/zinc/95/36/41/841953641.db2.gz NWJZADYWIKIEOU-JKSUJKDBSA-N 1 2 298.390 0.975 20 30 CCEDLO COc1cccc2c1C[C@@H](N1CC[NH2+]C[C@@H]1C#N)CO2 ZINC001173155182 842010032 /nfs/dbraw/zinc/01/00/32/842010032.db2.gz SATRUXOJQZVAQA-NEPJUHHUSA-N 1 2 273.336 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158554 842080858 /nfs/dbraw/zinc/08/08/58/842080858.db2.gz UQSSELBIQQKIMB-VWYCJHECSA-N 1 2 296.762 0.147 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158554 842080873 /nfs/dbraw/zinc/08/08/73/842080873.db2.gz UQSSELBIQQKIMB-VWYCJHECSA-N 1 2 296.762 0.147 20 30 CCEDLO C=C[C@@H]1C[C@@]1(NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001176883857 842440245 /nfs/dbraw/zinc/44/02/45/842440245.db2.gz MUKYRULNOCAWCB-RISCZKNCSA-N 1 2 277.324 0.897 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929093 842452337 /nfs/dbraw/zinc/45/23/37/842452337.db2.gz COYWBGPRKHSYEK-RYUDHWBXSA-N 1 2 283.397 0.565 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929093 842452341 /nfs/dbraw/zinc/45/23/41/842452341.db2.gz COYWBGPRKHSYEK-RYUDHWBXSA-N 1 2 283.397 0.565 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949288 842467258 /nfs/dbraw/zinc/46/72/58/842467258.db2.gz LQOLEPDOORLPHQ-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949288 842467262 /nfs/dbraw/zinc/46/72/62/842467262.db2.gz LQOLEPDOORLPHQ-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001178339121 842813972 /nfs/dbraw/zinc/81/39/72/842813972.db2.gz VSDAQXVBXMDPMR-JQWIXIFHSA-N 1 2 296.396 0.820 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110222387 842887858 /nfs/dbraw/zinc/88/78/58/842887858.db2.gz MFZWYCNJFAEDBN-ZDCRXTMVSA-N 1 2 299.321 0.111 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110222387 842887862 /nfs/dbraw/zinc/88/78/62/842887862.db2.gz MFZWYCNJFAEDBN-ZDCRXTMVSA-N 1 2 299.321 0.111 20 30 CCEDLO N#CCNCCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470792 843186290 /nfs/dbraw/zinc/18/62/90/843186290.db2.gz VIPNQUBRVKGJLT-UHFFFAOYSA-N 1 2 263.345 0.673 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C#N)cc2C#N)C1 ZINC001180758245 843283131 /nfs/dbraw/zinc/28/31/31/843283131.db2.gz BNMFKDDZRRNEJL-ZDUSSCGKSA-N 1 2 270.292 0.699 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C#N)cc2C#N)C1 ZINC001180758245 843283137 /nfs/dbraw/zinc/28/31/37/843283137.db2.gz BNMFKDDZRRNEJL-ZDUSSCGKSA-N 1 2 270.292 0.699 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1 ZINC001180764411 843295729 /nfs/dbraw/zinc/29/57/29/843295729.db2.gz WZDIXPFQECJIGD-AIYRYJHASA-N 1 2 266.219 0.078 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1 ZINC001180764411 843295741 /nfs/dbraw/zinc/29/57/41/843295741.db2.gz WZDIXPFQECJIGD-AIYRYJHASA-N 1 2 266.219 0.078 20 30 CCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001181992895 843666094 /nfs/dbraw/zinc/66/60/94/843666094.db2.gz DROVTLMOSBWRSV-ZETCQYMHSA-N 1 2 282.304 0.069 20 30 CCEDLO CC[N@H+]1CCCC[C@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001181992895 843666100 /nfs/dbraw/zinc/66/61/00/843666100.db2.gz DROVTLMOSBWRSV-ZETCQYMHSA-N 1 2 282.304 0.069 20 30 CCEDLO N=C(c1nonc1N)N(O)C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182555552 843851624 /nfs/dbraw/zinc/85/16/24/843851624.db2.gz QRVHKYWSSBGZAT-QMMMGPOBSA-N 1 2 294.315 0.069 20 30 CCEDLO N=C(c1nonc1N)N(O)C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182555552 843851630 /nfs/dbraw/zinc/85/16/30/843851630.db2.gz QRVHKYWSSBGZAT-QMMMGPOBSA-N 1 2 294.315 0.069 20 30 CCEDLO C#CC(C)(C)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001182638904 843870282 /nfs/dbraw/zinc/87/02/82/843870282.db2.gz QAPXARPWVKZCPE-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO N#CCc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001188688306 844950239 /nfs/dbraw/zinc/95/02/39/844950239.db2.gz UFOLEHJWDXEDQQ-CQSZACIVSA-N 1 2 284.319 0.809 20 30 CCEDLO N#CCc1cccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001188688306 844950247 /nfs/dbraw/zinc/95/02/47/844950247.db2.gz UFOLEHJWDXEDQQ-CQSZACIVSA-N 1 2 284.319 0.809 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189378659 845120634 /nfs/dbraw/zinc/12/06/34/845120634.db2.gz BCTDMDVWPAAOTN-LBPRGKRZSA-N 1 2 293.371 0.050 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189378659 845120636 /nfs/dbraw/zinc/12/06/36/845120636.db2.gz BCTDMDVWPAAOTN-LBPRGKRZSA-N 1 2 293.371 0.050 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC)C1 ZINC001191077741 845576664 /nfs/dbraw/zinc/57/66/64/845576664.db2.gz YWOTZWHMCMWOCO-JHJVBQTASA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC)C1 ZINC001191077741 845576672 /nfs/dbraw/zinc/57/66/72/845576672.db2.gz YWOTZWHMCMWOCO-JHJVBQTASA-N 1 2 297.399 0.029 20 30 CCEDLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 ZINC001191853221 845741721 /nfs/dbraw/zinc/74/17/21/845741721.db2.gz CQRIDONNRBQHFD-XXILOJSOSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 ZINC001191853221 845741730 /nfs/dbraw/zinc/74/17/30/845741730.db2.gz CQRIDONNRBQHFD-XXILOJSOSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191853240 845741754 /nfs/dbraw/zinc/74/17/54/845741754.db2.gz DAAWPUJHLFXFTE-MRVWCRGKSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001191853240 845741764 /nfs/dbraw/zinc/74/17/64/845741764.db2.gz DAAWPUJHLFXFTE-MRVWCRGKSA-N 1 2 288.351 0.211 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001192503345 845856990 /nfs/dbraw/zinc/85/69/90/845856990.db2.gz BDLDHUTYHSBPCD-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001192503345 845856997 /nfs/dbraw/zinc/85/69/97/845856997.db2.gz BDLDHUTYHSBPCD-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192826210 845915846 /nfs/dbraw/zinc/91/58/46/845915846.db2.gz DGYROPBEYHWOIP-CHWSQXEVSA-N 1 2 289.335 0.058 20 30 CCEDLO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192826210 845915848 /nfs/dbraw/zinc/91/58/48/845915848.db2.gz DGYROPBEYHWOIP-CHWSQXEVSA-N 1 2 289.335 0.058 20 30 CCEDLO COCCCC[NH+]1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC001193140075 846003674 /nfs/dbraw/zinc/00/36/74/846003674.db2.gz QJRWRGGGLFWEPI-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193178878 846024232 /nfs/dbraw/zinc/02/42/32/846024232.db2.gz RJYMZDYHAPHRSY-RYUDHWBXSA-N 1 2 294.380 0.882 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612349 846324941 /nfs/dbraw/zinc/32/49/41/846324941.db2.gz JOISPFPYAVGJQU-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612349 846324944 /nfs/dbraw/zinc/32/49/44/846324944.db2.gz JOISPFPYAVGJQU-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195109401 846462095 /nfs/dbraw/zinc/46/20/95/846462095.db2.gz BLHOYRTYXVMSES-VXGBXAGGSA-N 1 2 298.774 0.187 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccnnc2)CC1 ZINC001197245413 846887905 /nfs/dbraw/zinc/88/79/05/846887905.db2.gz WTPPGXCOLJJVKU-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccnnc2)CC1 ZINC001197245413 846887907 /nfs/dbraw/zinc/88/79/07/846887907.db2.gz WTPPGXCOLJJVKU-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197277370 846890181 /nfs/dbraw/zinc/89/01/81/846890181.db2.gz DVNUCNZDZHEXMR-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197277370 846890174 /nfs/dbraw/zinc/89/01/74/846890174.db2.gz DVNUCNZDZHEXMR-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001197354498 846895851 /nfs/dbraw/zinc/89/58/51/846895851.db2.gz VVQHWQCELARIJX-AWEZNQCLSA-N 1 2 299.390 0.961 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197354498 846895858 /nfs/dbraw/zinc/89/58/58/846895858.db2.gz VVQHWQCELARIJX-AWEZNQCLSA-N 1 2 299.390 0.961 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(OCc2ccccc2)C1 ZINC001251847910 847195896 /nfs/dbraw/zinc/19/58/96/847195896.db2.gz PECGSGPIANGFKT-HNNXBMFYSA-N 1 2 275.348 0.898 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001199337473 847290684 /nfs/dbraw/zinc/29/06/84/847290684.db2.gz VOKQHFLXSHYHQM-RBSFLKMASA-N 1 2 296.411 0.622 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001199337473 847290671 /nfs/dbraw/zinc/29/06/71/847290671.db2.gz VOKQHFLXSHYHQM-RBSFLKMASA-N 1 2 296.411 0.622 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001199331634 847304826 /nfs/dbraw/zinc/30/48/26/847304826.db2.gz RGGDNQCAUNJJLG-MRPUBWEVSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001199331634 847304835 /nfs/dbraw/zinc/30/48/35/847304835.db2.gz RGGDNQCAUNJJLG-MRPUBWEVSA-N 1 2 288.775 0.491 20 30 CCEDLO C=C[C@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001273880624 847721520 /nfs/dbraw/zinc/72/15/20/847721520.db2.gz DZFVHTXRWNVTHT-ZDUSSCGKSA-N 1 2 280.368 0.413 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204006763 848202267 /nfs/dbraw/zinc/20/22/67/848202267.db2.gz BKDORDQWZBBHPM-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ncc(C)o1 ZINC001274017706 848306334 /nfs/dbraw/zinc/30/63/34/848306334.db2.gz VJLBZQDCLZYTAP-SZZPACECSA-N 1 2 291.351 0.783 20 30 CCEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274062190 848333466 /nfs/dbraw/zinc/33/34/66/848333466.db2.gz NAHGMDGHBQIJFJ-CYBMUJFWSA-N 1 2 251.330 0.115 20 30 CCEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274062190 848333473 /nfs/dbraw/zinc/33/34/73/848333473.db2.gz NAHGMDGHBQIJFJ-CYBMUJFWSA-N 1 2 251.330 0.115 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001275355033 848697778 /nfs/dbraw/zinc/69/77/78/848697778.db2.gz JFPSSGSUDIESKP-RKDXNWHRSA-N 1 2 299.425 0.778 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](CCOCC)C2)C1 ZINC001276083422 848919828 /nfs/dbraw/zinc/91/98/28/848919828.db2.gz VYZZMDFTJCBDSB-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001276209017 848963031 /nfs/dbraw/zinc/96/30/31/848963031.db2.gz NQQPKAAYYKSYLR-AWEZNQCLSA-N 1 2 294.403 0.751 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO ZINC000687594510 849122653 /nfs/dbraw/zinc/12/26/53/849122653.db2.gz KPACYKQHALCDLP-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO ZINC000687594510 849122663 /nfs/dbraw/zinc/12/26/63/849122663.db2.gz KPACYKQHALCDLP-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1CO ZINC000687594511 849123747 /nfs/dbraw/zinc/12/37/47/849123747.db2.gz KPACYKQHALCDLP-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1CO ZINC000687594511 849123754 /nfs/dbraw/zinc/12/37/54/849123754.db2.gz KPACYKQHALCDLP-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)C[C@@H]1CO ZINC000687596161 849125697 /nfs/dbraw/zinc/12/56/97/849125697.db2.gz WRZVEVRGWCFXFR-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H]1CO ZINC000687596161 849125703 /nfs/dbraw/zinc/12/57/03/849125703.db2.gz WRZVEVRGWCFXFR-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO C=C[C@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001253611803 849659016 /nfs/dbraw/zinc/65/90/16/849659016.db2.gz TYUQHWVLAFGJFF-RYUDHWBXSA-N 1 2 267.329 0.031 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001038637657 849764602 /nfs/dbraw/zinc/76/46/02/849764602.db2.gz KRXBHUHRHNSYMP-STQMWFEESA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001038637657 849764610 /nfs/dbraw/zinc/76/46/10/849764610.db2.gz KRXBHUHRHNSYMP-STQMWFEESA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC001038304535 849844049 /nfs/dbraw/zinc/84/40/49/849844049.db2.gz XQFUMBFZCFAUFW-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC001038304535 849844054 /nfs/dbraw/zinc/84/40/54/849844054.db2.gz XQFUMBFZCFAUFW-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001038441780 849900041 /nfs/dbraw/zinc/90/00/41/849900041.db2.gz FEHUWYKKPUZDNY-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001038441780 849900048 /nfs/dbraw/zinc/90/00/48/849900048.db2.gz FEHUWYKKPUZDNY-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038524294 849932530 /nfs/dbraw/zinc/93/25/30/849932530.db2.gz XOIFVWMBDGXOHF-SNVBAGLBSA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038524294 849932536 /nfs/dbraw/zinc/93/25/36/849932536.db2.gz XOIFVWMBDGXOHF-SNVBAGLBSA-N 1 2 285.303 0.971 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001038554567 849939094 /nfs/dbraw/zinc/93/90/94/849939094.db2.gz ILCDRECNUWAMAU-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001038554567 849939104 /nfs/dbraw/zinc/93/91/04/849939104.db2.gz ILCDRECNUWAMAU-SNVBAGLBSA-N 1 2 263.297 0.511 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001038560187 849941992 /nfs/dbraw/zinc/94/19/92/849941992.db2.gz GLJRDDNGVKKAIW-SECBINFHSA-N 1 2 251.286 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001038560187 849942005 /nfs/dbraw/zinc/94/20/05/849942005.db2.gz GLJRDDNGVKKAIW-SECBINFHSA-N 1 2 251.286 0.673 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038581803 849949339 /nfs/dbraw/zinc/94/93/39/849949339.db2.gz LQQVDMUYEYTFMY-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038581803 849949347 /nfs/dbraw/zinc/94/93/47/849949347.db2.gz LQQVDMUYEYTFMY-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](CC)C(N)=O)cc1 ZINC001038581932 849950215 /nfs/dbraw/zinc/95/02/15/849950215.db2.gz MWWZRZDWDXFGEW-CABCVRRESA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](CC)C(N)=O)cc1 ZINC001038581932 849950221 /nfs/dbraw/zinc/95/02/21/849950221.db2.gz MWWZRZDWDXFGEW-CABCVRRESA-N 1 2 299.374 0.736 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038716533 849995018 /nfs/dbraw/zinc/99/50/18/849995018.db2.gz MYYAMYYWAIUVSD-MGPQQGTHSA-N 1 2 286.379 0.737 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038716533 849995026 /nfs/dbraw/zinc/99/50/26/849995026.db2.gz MYYAMYYWAIUVSD-MGPQQGTHSA-N 1 2 286.379 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038756443 850006391 /nfs/dbraw/zinc/00/63/91/850006391.db2.gz DKMORQMFBREBQZ-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038756443 850006395 /nfs/dbraw/zinc/00/63/95/850006395.db2.gz DKMORQMFBREBQZ-JTQLQIEISA-N 1 2 280.759 0.819 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041523443 850458778 /nfs/dbraw/zinc/45/87/78/850458778.db2.gz OSGSLXXTQWXTMV-HNNXBMFYSA-N 1 2 287.367 0.721 20 30 CCEDLO C=C(C)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570069 850700409 /nfs/dbraw/zinc/70/04/09/850700409.db2.gz MFFQWTAFHXOJIX-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C=C(C)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570069 850700416 /nfs/dbraw/zinc/70/04/16/850700416.db2.gz MFFQWTAFHXOJIX-CYBMUJFWSA-N 1 2 267.373 0.036 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccc(C)n2)C1 ZINC001042673017 850729848 /nfs/dbraw/zinc/72/98/48/850729848.db2.gz WVGMGYRBGTZJAY-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC)n2)C1 ZINC001042690499 850736131 /nfs/dbraw/zinc/73/61/31/850736131.db2.gz CFCVNLIYANIOIV-UHFFFAOYSA-N 1 2 261.329 0.078 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001042813043 850762709 /nfs/dbraw/zinc/76/27/09/850762709.db2.gz AHVMVCLBFWTXAF-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001042897972 850776800 /nfs/dbraw/zinc/77/68/00/850776800.db2.gz XBPHUAIZHOAUBX-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001042939741 850784534 /nfs/dbraw/zinc/78/45/34/850784534.db2.gz LXKXLFHFBWXOGP-UHFFFAOYSA-N 1 2 262.357 0.600 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001042972603 850790623 /nfs/dbraw/zinc/79/06/23/850790623.db2.gz CIQMKNRSMJZDBH-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCNC2=O)C1 ZINC001042989585 850792518 /nfs/dbraw/zinc/79/25/18/850792518.db2.gz QWIFWCOJKKAOPK-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001043044193 850802246 /nfs/dbraw/zinc/80/22/46/850802246.db2.gz OODYUXDQYFJUCQ-UHFFFAOYSA-N 1 2 276.340 0.588 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001043519452 850890792 /nfs/dbraw/zinc/89/07/92/850890792.db2.gz ZLXWHFOWTYRGGG-NEPJUHHUSA-N 1 2 265.357 0.217 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cn2)C1 ZINC001043631362 850913929 /nfs/dbraw/zinc/91/39/29/850913929.db2.gz AENQFZXIWDENDX-UHFFFAOYSA-N 1 2 275.352 0.961 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001043788289 850936685 /nfs/dbraw/zinc/93/66/85/850936685.db2.gz LPQWYPLSQOIXTI-WCQYABFASA-N 1 2 252.358 0.988 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 ZINC001043940753 850967658 /nfs/dbraw/zinc/96/76/58/850967658.db2.gz YLGBZMNRECXJAI-DGCLKSJQSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001044037362 850988694 /nfs/dbraw/zinc/98/86/94/850988694.db2.gz FFQCIWGVTJHZHL-KBPBESRZSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CC)C2)nn1 ZINC001044030384 850989833 /nfs/dbraw/zinc/98/98/33/850989833.db2.gz ZZFJFNKUYIPFFF-UHFFFAOYSA-N 1 2 263.345 0.630 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccn(C)c2=O)C1 ZINC001044200766 851040712 /nfs/dbraw/zinc/04/07/12/851040712.db2.gz LQHWBSHMDHBXEX-UHFFFAOYSA-N 1 2 261.325 0.328 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2OC)C1 ZINC001044235229 851049281 /nfs/dbraw/zinc/04/92/81/851049281.db2.gz TZVFJWTXUYWXFB-UHFFFAOYSA-N 1 2 278.356 0.761 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CCOC)c2)C1 ZINC001044242262 851050600 /nfs/dbraw/zinc/05/06/00/851050600.db2.gz STZWCOHREBOTNA-UHFFFAOYSA-N 1 2 292.383 0.862 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001044240796 851051485 /nfs/dbraw/zinc/05/14/85/851051485.db2.gz SCZJABKRVKXKQV-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001044328741 851077709 /nfs/dbraw/zinc/07/77/09/851077709.db2.gz MUENIIAWCLVQPR-LBPRGKRZSA-N 1 2 279.384 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C(F)F)C1 ZINC001047395371 851749167 /nfs/dbraw/zinc/74/91/67/851749167.db2.gz HLBWBGVGCJWBOF-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C(F)F)C1 ZINC001047395371 851749169 /nfs/dbraw/zinc/74/91/69/851749169.db2.gz HLBWBGVGCJWBOF-QWRGUYRKSA-N 1 2 298.293 0.029 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001047437915 851764213 /nfs/dbraw/zinc/76/42/13/851764213.db2.gz CLWLGGHKBBHIFG-STQMWFEESA-N 1 2 282.359 0.796 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001047437915 851764217 /nfs/dbraw/zinc/76/42/17/851764217.db2.gz CLWLGGHKBBHIFG-STQMWFEESA-N 1 2 282.359 0.796 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001047433220 851764888 /nfs/dbraw/zinc/76/48/88/851764888.db2.gz DXWAKFTXXAKXND-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001047433220 851764898 /nfs/dbraw/zinc/76/48/98/851764898.db2.gz DXWAKFTXXAKXND-KBPBESRZSA-N 1 2 290.363 0.982 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001047519928 851799886 /nfs/dbraw/zinc/79/98/86/851799886.db2.gz XZOBCEXDYCPWOK-RYUDHWBXSA-N 1 2 270.348 0.816 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001047519928 851799888 /nfs/dbraw/zinc/79/98/88/851799888.db2.gz XZOBCEXDYCPWOK-RYUDHWBXSA-N 1 2 270.348 0.816 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001047606028 851832734 /nfs/dbraw/zinc/83/27/34/851832734.db2.gz TYCOZLVFYYMQJD-IUCAKERBSA-N 1 2 283.715 0.078 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001047606028 851832742 /nfs/dbraw/zinc/83/27/42/851832742.db2.gz TYCOZLVFYYMQJD-IUCAKERBSA-N 1 2 283.715 0.078 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691006 852352334 /nfs/dbraw/zinc/35/23/34/852352334.db2.gz JRWJHBHQQLLEMU-UWVGGRQHSA-N 1 2 271.748 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691006 852352339 /nfs/dbraw/zinc/35/23/39/852352339.db2.gz JRWJHBHQQLLEMU-UWVGGRQHSA-N 1 2 271.748 0.290 20 30 CCEDLO COCC#CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001261744288 852484561 /nfs/dbraw/zinc/48/45/61/852484561.db2.gz BAYWTAJGXPAJED-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO Cc1nc(N[C@H](C)CNC(=O)CSCC#N)cc[nH+]1 ZINC001097674232 852569755 /nfs/dbraw/zinc/56/97/55/852569755.db2.gz KHDWSSWEDNYGNZ-SECBINFHSA-N 1 2 279.369 0.958 20 30 CCEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001097792331 852614629 /nfs/dbraw/zinc/61/46/29/852614629.db2.gz PNWOASILCNARMG-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)Nc1[nH+]cnc2c1cnn2C ZINC001097802715 852619128 /nfs/dbraw/zinc/61/91/28/852619128.db2.gz AYOQVYUABTYSOQ-JTQLQIEISA-N 1 2 298.350 0.693 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC)C1 ZINC001097802670 852619624 /nfs/dbraw/zinc/61/96/24/852619624.db2.gz MZYPKYLFFWKCJA-UPJWGTAASA-N 1 2 291.395 0.810 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC)C1 ZINC001097802670 852619628 /nfs/dbraw/zinc/61/96/28/852619628.db2.gz MZYPKYLFFWKCJA-UPJWGTAASA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCOCC1)CCO2 ZINC001053124174 852691246 /nfs/dbraw/zinc/69/12/46/852691246.db2.gz QJYIZNAJRDDNTF-UHFFFAOYSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1=COCCO1)CCO2 ZINC001053141958 852693264 /nfs/dbraw/zinc/69/32/64/852693264.db2.gz MDFZMPKMTYHFAF-UHFFFAOYSA-N 1 2 294.351 0.364 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC1)CCO2 ZINC001053198554 852708253 /nfs/dbraw/zinc/70/82/53/852708253.db2.gz JMMWACOUKMSOII-AWEZNQCLSA-N 1 2 294.395 0.902 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053245290 852718989 /nfs/dbraw/zinc/71/89/89/852718989.db2.gz VAHNUWHWBIMDSH-UHFFFAOYSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 ZINC001053368510 852735092 /nfs/dbraw/zinc/73/50/92/852735092.db2.gz NDLBBNMQRMKIFO-UHFFFAOYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCO1)O2 ZINC001053566281 852759670 /nfs/dbraw/zinc/75/96/70/852759670.db2.gz KFWXNJPPKFAFNK-CHWSQXEVSA-N 1 2 280.368 0.701 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCOC1)O2 ZINC001053576501 852764040 /nfs/dbraw/zinc/76/40/40/852764040.db2.gz SERIRDDQZNETMM-QWHCGFSZSA-N 1 2 280.368 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C)n1)CO2 ZINC001053742118 852797394 /nfs/dbraw/zinc/79/73/94/852797394.db2.gz SIOBVKKUIXERLX-AWEZNQCLSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCOC1)CO2 ZINC001053752254 852804734 /nfs/dbraw/zinc/80/47/34/852804734.db2.gz VXUPBWKOMIOXCV-STQMWFEESA-N 1 2 280.368 0.559 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccon1)CO2 ZINC001053761232 852809907 /nfs/dbraw/zinc/80/99/07/852809907.db2.gz WEGXBKDPGVNZDA-CYBMUJFWSA-N 1 2 291.351 0.753 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)CO2 ZINC001053899587 852841691 /nfs/dbraw/zinc/84/16/91/852841691.db2.gz REAZKIKRGDQENS-IGQOVBAYSA-N 1 2 292.379 0.414 20 30 CCEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001053982386 852862151 /nfs/dbraw/zinc/86/21/51/852862151.db2.gz IPOOHQDYACXJAI-GFCCVEGCSA-N 1 2 290.367 0.108 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ncn[nH]1)C2 ZINC001054226260 852896912 /nfs/dbraw/zinc/89/69/12/852896912.db2.gz LUWDRCAOMIXMMR-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ncn[nH]1)C2 ZINC001054226260 852896915 /nfs/dbraw/zinc/89/69/15/852896915.db2.gz LUWDRCAOMIXMMR-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001050502861 853385611 /nfs/dbraw/zinc/38/56/11/853385611.db2.gz NJUAWFHCZZBGFX-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001050808099 853443345 /nfs/dbraw/zinc/44/33/45/853443345.db2.gz ZGJUGPCNVFVREJ-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001050808099 853443346 /nfs/dbraw/zinc/44/33/46/853443346.db2.gz ZGJUGPCNVFVREJ-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nccnc1N ZINC001050851837 853463091 /nfs/dbraw/zinc/46/30/91/853463091.db2.gz ZLIPGPAPYDPTAJ-NSHDSACASA-N 1 2 291.355 0.066 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nccnc1N ZINC001050851837 853463095 /nfs/dbraw/zinc/46/30/95/853463095.db2.gz ZLIPGPAPYDPTAJ-NSHDSACASA-N 1 2 291.355 0.066 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001050996074 853503236 /nfs/dbraw/zinc/50/32/36/853503236.db2.gz OIAVTUKGSWCJLK-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001050996074 853503248 /nfs/dbraw/zinc/50/32/48/853503248.db2.gz OIAVTUKGSWCJLK-LBPRGKRZSA-N 1 2 292.383 0.979 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051970970 853668465 /nfs/dbraw/zinc/66/84/65/853668465.db2.gz CKNDUTYVXNCTKM-ZDUSSCGKSA-N 1 2 288.351 0.635 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051980370 853669352 /nfs/dbraw/zinc/66/93/52/853669352.db2.gz FKWQAXDXXOHTQW-CQSZACIVSA-N 1 2 288.351 0.635 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026066 853677841 /nfs/dbraw/zinc/67/78/41/853677841.db2.gz MZGCMHMBUBRPFF-KRWDZBQOSA-N 1 2 299.418 0.642 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052060213 853679409 /nfs/dbraw/zinc/67/94/09/853679409.db2.gz ZVKKZMYFQXUBDP-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052060213 853679415 /nfs/dbraw/zinc/67/94/15/853679415.db2.gz ZVKKZMYFQXUBDP-CYBMUJFWSA-N 1 2 288.351 0.140 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001067716735 853855820 /nfs/dbraw/zinc/85/58/20/853855820.db2.gz YCJBHYYTJJWJJA-GFCCVEGCSA-N 1 2 291.355 0.350 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001072552795 854414912 /nfs/dbraw/zinc/41/49/12/854414912.db2.gz SGKRCSUAYULSER-LBPRGKRZSA-N 1 2 285.351 0.671 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001072552795 854414914 /nfs/dbraw/zinc/41/49/14/854414914.db2.gz SGKRCSUAYULSER-LBPRGKRZSA-N 1 2 285.351 0.671 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864887 854481395 /nfs/dbraw/zinc/48/13/95/854481395.db2.gz VICDYMATQGZVHT-CYBMUJFWSA-N 1 2 299.378 0.503 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073544064 854586260 /nfs/dbraw/zinc/58/62/60/854586260.db2.gz WJWMSIPNUKSSAP-LLVKDONJSA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001073544064 854586266 /nfs/dbraw/zinc/58/62/66/854586266.db2.gz WJWMSIPNUKSSAP-LLVKDONJSA-N 1 2 298.774 0.983 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001074205296 854695378 /nfs/dbraw/zinc/69/53/78/854695378.db2.gz PPPFOTFDWNJDLZ-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001074205296 854695386 /nfs/dbraw/zinc/69/53/86/854695386.db2.gz PPPFOTFDWNJDLZ-KGLIPLIRSA-N 1 2 288.351 0.822 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](F)CC)C2)nn1 ZINC001098698693 854876990 /nfs/dbraw/zinc/87/69/90/854876990.db2.gz XGKPGEOLCNBLRA-OLZOCXBDSA-N 1 2 293.346 0.522 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 ZINC001098918657 854898062 /nfs/dbraw/zinc/89/80/62/854898062.db2.gz XQIYBODNAXNLCH-GWCFXTLKSA-N 1 2 259.313 0.022 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 ZINC001098918657 854898069 /nfs/dbraw/zinc/89/80/69/854898069.db2.gz XQIYBODNAXNLCH-GWCFXTLKSA-N 1 2 259.313 0.022 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC001099262341 854924557 /nfs/dbraw/zinc/92/45/57/854924557.db2.gz SAYFGKSTEKVDGE-GFCCVEGCSA-N 1 2 298.350 0.579 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NCC2CC(NCC#N)C2)c[nH+]1 ZINC001100439970 855168695 /nfs/dbraw/zinc/16/86/95/855168695.db2.gz DAWMXFZQMJHNLW-UHFFFAOYSA-N 1 2 289.383 0.935 20 30 CCEDLO COCC#CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001119116881 856565352 /nfs/dbraw/zinc/56/53/52/856565352.db2.gz WIKQRQFQWMCWIE-AWEZNQCLSA-N 1 2 276.311 0.948 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001120411809 857059025 /nfs/dbraw/zinc/05/90/25/857059025.db2.gz COEDLRZFQNCNBH-CYBMUJFWSA-N 1 2 289.379 0.307 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001323302991 912256037 /nfs/dbraw/zinc/25/60/37/912256037.db2.gz QOFKPHWFHSQXLJ-CABCVRRESA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001323302991 912256055 /nfs/dbraw/zinc/25/60/55/912256055.db2.gz QOFKPHWFHSQXLJ-CABCVRRESA-N 1 2 296.411 0.888 20 30 CCEDLO CN(C(=O)CSCC#N)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001323887803 912563944 /nfs/dbraw/zinc/56/39/44/912563944.db2.gz UMJKNXMGQWXLQI-CYBMUJFWSA-N 1 2 297.424 0.955 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CO[C@@H]2CCOC2)C1 ZINC001323921824 912581953 /nfs/dbraw/zinc/58/19/53/912581953.db2.gz UJBUZVHONFIODF-CQSZACIVSA-N 1 2 298.383 0.137 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)NC(C)=O)C1 ZINC001324002992 912618991 /nfs/dbraw/zinc/61/89/91/912618991.db2.gz BHIJDSUIUPIACK-HNNXBMFYSA-N 1 2 293.411 0.703 20 30 CCEDLO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001393517790 912619336 /nfs/dbraw/zinc/61/93/36/912619336.db2.gz ATRHFPSMQDCHIB-NSHDSACASA-N 1 2 298.774 0.522 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001480857030 891393544 /nfs/dbraw/zinc/39/35/44/891393544.db2.gz LMYWBCZQNWGQNV-SNVBAGLBSA-N 1 2 271.752 0.640 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001480857030 891393526 /nfs/dbraw/zinc/39/35/26/891393526.db2.gz LMYWBCZQNWGQNV-SNVBAGLBSA-N 1 2 271.752 0.640 20 30 CCEDLO CC/C=C(/C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481027162 892077152 /nfs/dbraw/zinc/07/71/52/892077152.db2.gz AWFWWUMGVHQZBJ-QWGHSUKYSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(/C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481027162 892077172 /nfs/dbraw/zinc/07/71/72/892077172.db2.gz AWFWWUMGVHQZBJ-QWGHSUKYSA-N 1 2 292.383 0.563 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001481226172 892393727 /nfs/dbraw/zinc/39/37/27/892393727.db2.gz XJSUWWYKNHIGNM-QMTHXVAHSA-N 1 2 296.371 0.814 20 30 CCEDLO CN(CC#N)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001481516687 892765724 /nfs/dbraw/zinc/76/57/24/892765724.db2.gz JLZHQCHQOBTIAR-UHFFFAOYSA-N 1 2 289.383 0.967 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001481617547 892910901 /nfs/dbraw/zinc/91/09/01/892910901.db2.gz LBMKBSYZCXGEQD-UHFFFAOYSA-N 1 2 293.342 0.971 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)CC ZINC001481667845 892984949 /nfs/dbraw/zinc/98/49/49/892984949.db2.gz LSRADFFZFCOZEQ-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)CC ZINC001481667845 892984953 /nfs/dbraw/zinc/98/49/53/892984953.db2.gz LSRADFFZFCOZEQ-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001481699521 893035847 /nfs/dbraw/zinc/03/58/47/893035847.db2.gz FVFICZVRESQLRG-GHMZBOCLSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001481699521 893035867 /nfs/dbraw/zinc/03/58/67/893035867.db2.gz FVFICZVRESQLRG-GHMZBOCLSA-N 1 2 261.329 0.270 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001481701173 893039977 /nfs/dbraw/zinc/03/99/77/893039977.db2.gz YHADBHZOWKCOSB-UONOGXRCSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001481701173 893039989 /nfs/dbraw/zinc/03/99/89/893039989.db2.gz YHADBHZOWKCOSB-UONOGXRCSA-N 1 2 293.411 0.895 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC2CCOCC2)C1 ZINC001482186512 893478386 /nfs/dbraw/zinc/47/83/86/893478386.db2.gz ZQFXNSBOLBBETK-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC2CCOCC2)C1 ZINC001482186512 893478387 /nfs/dbraw/zinc/47/83/87/893478387.db2.gz ZQFXNSBOLBBETK-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001482204384 893538055 /nfs/dbraw/zinc/53/80/55/893538055.db2.gz CICIRYRZMOUNAG-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001482204384 893538076 /nfs/dbraw/zinc/53/80/76/893538076.db2.gz CICIRYRZMOUNAG-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1[nH]ccc1C ZINC001496698693 893880866 /nfs/dbraw/zinc/88/08/66/893880866.db2.gz ISEQEEGNWWWTLC-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1[nH]ccc1C ZINC001496698693 893880881 /nfs/dbraw/zinc/88/08/81/893880881.db2.gz ISEQEEGNWWWTLC-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1ncn[nH]1 ZINC001482500486 894162179 /nfs/dbraw/zinc/16/21/79/894162179.db2.gz VPTRVAJOEDJXCX-NEPJUHHUSA-N 1 2 275.356 0.197 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001409163480 894361298 /nfs/dbraw/zinc/36/12/98/894361298.db2.gz HLVNHHYIGUDMLS-NSHDSACASA-N 1 2 289.339 0.007 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cn(C)nn1 ZINC001482653306 894446215 /nfs/dbraw/zinc/44/62/15/894446215.db2.gz JFDPYBFSICFFBS-UHFFFAOYSA-N 1 2 299.806 0.890 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cn(C)nn1 ZINC001482653306 894446220 /nfs/dbraw/zinc/44/62/20/894446220.db2.gz JFDPYBFSICFFBS-UHFFFAOYSA-N 1 2 299.806 0.890 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C/C[NH2+][C@@H](C)c1nnnn1C ZINC001483014506 894801298 /nfs/dbraw/zinc/80/12/98/894801298.db2.gz RQEMJLLWQWQZLQ-FYJFLYSWSA-N 1 2 292.387 0.889 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001396786368 913960348 /nfs/dbraw/zinc/96/03/48/913960348.db2.gz SJFSCYBNWXGKGE-NWDGAFQWSA-N 1 2 289.339 0.102 20 30 CCEDLO N#CCNCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001326446191 913961903 /nfs/dbraw/zinc/96/19/03/913961903.db2.gz MFQNKZHVWZTNCO-LBPRGKRZSA-N 1 2 261.329 0.235 20 30 CCEDLO CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001483632297 895752691 /nfs/dbraw/zinc/75/26/91/895752691.db2.gz MAKUGOPOOKGDDJ-OLZOCXBDSA-N 1 2 268.357 0.252 20 30 CCEDLO CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001483632297 895752705 /nfs/dbraw/zinc/75/27/05/895752705.db2.gz MAKUGOPOOKGDDJ-OLZOCXBDSA-N 1 2 268.357 0.252 20 30 CCEDLO Cc1cccn2cc(CC(=O)NC[C@H]3CCN3CC#N)[nH+]c12 ZINC001483688846 895859299 /nfs/dbraw/zinc/85/92/99/895859299.db2.gz QXHJMXJYXGKXKU-CQSZACIVSA-N 1 2 297.362 0.899 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001483822457 896065598 /nfs/dbraw/zinc/06/55/98/896065598.db2.gz BSKNXXKPFFDSIQ-RWMBFGLXSA-N 1 2 279.384 0.892 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001483822457 896065614 /nfs/dbraw/zinc/06/56/14/896065614.db2.gz BSKNXXKPFFDSIQ-RWMBFGLXSA-N 1 2 279.384 0.892 20 30 CCEDLO C=C(C)CN1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001484599366 896488876 /nfs/dbraw/zinc/48/88/76/896488876.db2.gz HLMKPTFVXFBICT-CQSZACIVSA-N 1 2 292.383 0.666 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001484635014 896509590 /nfs/dbraw/zinc/50/95/90/896509590.db2.gz RNJVGSITODAPGF-NSHDSACASA-N 1 2 292.339 0.236 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)CC(N)=O)O2 ZINC001484784645 896600702 /nfs/dbraw/zinc/60/07/02/896600702.db2.gz ONWLZUIIEPFEKN-VXGBXAGGSA-N 1 2 295.383 0.034 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(CNCC#N)C1 ZINC001485102723 896773050 /nfs/dbraw/zinc/77/30/50/896773050.db2.gz PUHZZGJIIWJPIQ-FIYWTHMPSA-N 1 2 287.367 0.532 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccoc2C)C1 ZINC001485397079 897023091 /nfs/dbraw/zinc/02/30/91/897023091.db2.gz LORCHBILHQLAFT-UHFFFAOYSA-N 1 2 276.336 0.778 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC2(C)C)C1 ZINC001485500604 897087376 /nfs/dbraw/zinc/08/73/76/897087376.db2.gz KOICOFRKHDMRFX-DGCLKSJQSA-N 1 2 291.395 0.218 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCOC)C2)C1 ZINC001485554363 897115716 /nfs/dbraw/zinc/11/57/16/897115716.db2.gz RVJUXYXOQGQIRC-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCOC)C2)C1 ZINC001485554363 897115728 /nfs/dbraw/zinc/11/57/28/897115728.db2.gz RVJUXYXOQGQIRC-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nn1 ZINC001032398581 897445040 /nfs/dbraw/zinc/44/50/40/897445040.db2.gz MXVGUAMPLGVLPC-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nn1 ZINC001032398581 897445047 /nfs/dbraw/zinc/44/50/47/897445047.db2.gz MXVGUAMPLGVLPC-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001032404566 897465100 /nfs/dbraw/zinc/46/51/00/897465100.db2.gz NAWQDYUZFQZXBG-RWMBFGLXSA-N 1 2 284.363 0.748 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@](C)(O)C=C)C1 ZINC001107903667 897475317 /nfs/dbraw/zinc/47/53/17/897475317.db2.gz WRRIBBFJZVQQFS-CABCVRRESA-N 1 2 282.384 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@](C)(O)C=C)C1 ZINC001107903667 897475320 /nfs/dbraw/zinc/47/53/20/897475320.db2.gz WRRIBBFJZVQQFS-CABCVRRESA-N 1 2 282.384 0.707 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccon3)C2)OCC1=O ZINC001272757376 897547933 /nfs/dbraw/zinc/54/79/33/897547933.db2.gz PAYZHZPHLRHZOI-AWEZNQCLSA-N 1 2 277.324 0.664 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccon3)C2)OCC1=O ZINC001272757376 897547946 /nfs/dbraw/zinc/54/79/46/897547946.db2.gz PAYZHZPHLRHZOI-AWEZNQCLSA-N 1 2 277.324 0.664 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)(C)C)nn1 ZINC001032438336 897563517 /nfs/dbraw/zinc/56/35/17/897563517.db2.gz TULALNLWFPPJNV-RYUDHWBXSA-N 1 2 287.367 0.565 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)(C)C)nn1 ZINC001032438336 897563539 /nfs/dbraw/zinc/56/35/39/897563539.db2.gz TULALNLWFPPJNV-RYUDHWBXSA-N 1 2 287.367 0.565 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(CC)c[nH]1 ZINC001032452801 897586308 /nfs/dbraw/zinc/58/63/08/897586308.db2.gz HNSJUXGHQUZUGX-STQMWFEESA-N 1 2 272.352 0.433 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(CC)c[nH]1 ZINC001032452801 897586319 /nfs/dbraw/zinc/58/63/19/897586319.db2.gz HNSJUXGHQUZUGX-STQMWFEESA-N 1 2 272.352 0.433 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(C)cc1=O ZINC001032461188 897598817 /nfs/dbraw/zinc/59/88/17/897598817.db2.gz WGHWJSKKOLAGSJ-STQMWFEESA-N 1 2 287.363 0.778 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(C)cc1=O ZINC001032461188 897598830 /nfs/dbraw/zinc/59/88/30/897598830.db2.gz WGHWJSKKOLAGSJ-STQMWFEESA-N 1 2 287.363 0.778 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH+]ccn21 ZINC001032517472 897686811 /nfs/dbraw/zinc/68/68/11/897686811.db2.gz PUZAQRRAWZJYKC-RYUDHWBXSA-N 1 2 281.319 0.757 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ncco3)C2)OCC1=O ZINC001272801003 897690765 /nfs/dbraw/zinc/69/07/65/897690765.db2.gz DZELBEXMBQZVGQ-AWEZNQCLSA-N 1 2 277.324 0.664 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ncco3)C2)OCC1=O ZINC001272801003 897690769 /nfs/dbraw/zinc/69/07/69/897690769.db2.gz DZELBEXMBQZVGQ-AWEZNQCLSA-N 1 2 277.324 0.664 20 30 CCEDLO N#Cc1cnn(C(=O)c2cccc3[nH+]ccn32)c1N ZINC001168599371 897741248 /nfs/dbraw/zinc/74/12/48/897741248.db2.gz UFUXTOGUFHKIJO-UHFFFAOYSA-N 1 2 252.237 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C ZINC001032655730 897900612 /nfs/dbraw/zinc/90/06/12/897900612.db2.gz BBMQPIIWMUQIAS-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C ZINC001032655730 897900618 /nfs/dbraw/zinc/90/06/18/897900618.db2.gz BBMQPIIWMUQIAS-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032673677 897922798 /nfs/dbraw/zinc/92/27/98/897922798.db2.gz DIZTWMULCFHYEE-WXHSDQCUSA-N 1 2 273.340 0.397 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032673677 897922808 /nfs/dbraw/zinc/92/28/08/897922808.db2.gz DIZTWMULCFHYEE-WXHSDQCUSA-N 1 2 273.340 0.397 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3c(n2)COCC3)C1 ZINC001043085489 897972481 /nfs/dbraw/zinc/97/24/81/897972481.db2.gz GUIFSBWXVCYQDH-UHFFFAOYSA-N 1 2 290.367 0.746 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001077930600 898065080 /nfs/dbraw/zinc/06/50/80/898065080.db2.gz DMDPBFLZJFAORU-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001077930600 898065093 /nfs/dbraw/zinc/06/50/93/898065093.db2.gz DMDPBFLZJFAORU-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(C(C)=O)CC1 ZINC001032773521 898156847 /nfs/dbraw/zinc/15/68/47/898156847.db2.gz ARLCUNSWTVXLAS-GJZGRUSLSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(C(C)=O)CC1 ZINC001032773521 898156855 /nfs/dbraw/zinc/15/68/55/898156855.db2.gz ARLCUNSWTVXLAS-GJZGRUSLSA-N 1 2 289.379 0.163 20 30 CCEDLO C=CCN1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001272910128 898159398 /nfs/dbraw/zinc/15/93/98/898159398.db2.gz XZICYYGWVFDHTI-CQSZACIVSA-N 1 2 292.383 0.666 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001078058038 898211138 /nfs/dbraw/zinc/21/11/38/898211138.db2.gz VCTIBTXASPTCCF-ZIAGYGMSSA-N 1 2 288.347 0.493 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001078058038 898211152 /nfs/dbraw/zinc/21/11/52/898211152.db2.gz VCTIBTXASPTCCF-ZIAGYGMSSA-N 1 2 288.347 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)N1CCCC1=O ZINC001032790510 898236886 /nfs/dbraw/zinc/23/68/86/898236886.db2.gz NIODHLYKRKOYMQ-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)N1CCCC1=O ZINC001032790510 898236904 /nfs/dbraw/zinc/23/69/04/898236904.db2.gz NIODHLYKRKOYMQ-IHRRRGAJSA-N 1 2 289.379 0.306 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001078135075 898256433 /nfs/dbraw/zinc/25/64/33/898256433.db2.gz PMAOFTZGBMLIMI-RYUDHWBXSA-N 1 2 291.355 0.444 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001078131845 898258728 /nfs/dbraw/zinc/25/87/28/898258728.db2.gz AYHXZLJOHFAOMA-QWRGUYRKSA-N 1 2 291.355 0.133 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001078139634 898263494 /nfs/dbraw/zinc/26/34/94/898263494.db2.gz ZRSSHSSULXISGE-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001078148379 898272127 /nfs/dbraw/zinc/27/21/27/898272127.db2.gz QMOVOWMQWXIJIY-GHMZBOCLSA-N 1 2 281.381 0.721 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001078148379 898272139 /nfs/dbraw/zinc/27/21/39/898272139.db2.gz QMOVOWMQWXIJIY-GHMZBOCLSA-N 1 2 281.381 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001078206218 898300250 /nfs/dbraw/zinc/30/02/50/898300250.db2.gz UDWSQNLTNWJJFT-NILFDRSVSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001078206218 898300262 /nfs/dbraw/zinc/30/02/62/898300262.db2.gz UDWSQNLTNWJJFT-NILFDRSVSA-N 1 2 290.338 0.724 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001078240983 898311196 /nfs/dbraw/zinc/31/11/96/898311196.db2.gz SUZWYXITXBKSKH-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001078240983 898311205 /nfs/dbraw/zinc/31/12/05/898311205.db2.gz SUZWYXITXBKSKH-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001032794805 898313189 /nfs/dbraw/zinc/31/31/89/898313189.db2.gz SEALIVWSSIOZRJ-UBHSHLNASA-N 1 2 284.363 0.433 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001032794805 898313206 /nfs/dbraw/zinc/31/32/06/898313206.db2.gz SEALIVWSSIOZRJ-UBHSHLNASA-N 1 2 284.363 0.433 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043139357 898378291 /nfs/dbraw/zinc/37/82/91/898378291.db2.gz FVDVKPZNVFBJFU-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cc[nH+]c1 ZINC001108035361 898407757 /nfs/dbraw/zinc/40/77/57/898407757.db2.gz FUWKDYWHUSMLIY-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CC#CCN(CCNC(=O)Cn1cc[nH+]c1C)CCOC ZINC001486433063 898873620 /nfs/dbraw/zinc/87/36/20/898873620.db2.gz MLPOUUVOVWXIKF-UHFFFAOYSA-N 1 2 292.383 0.279 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC001486443928 898880870 /nfs/dbraw/zinc/88/08/70/898880870.db2.gz MZVOUBKRGLUWAC-MNOVXSKESA-N 1 2 291.355 0.946 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486861690 899060554 /nfs/dbraw/zinc/06/05/54/899060554.db2.gz HVTCSJYTWRRZLS-LBPRGKRZSA-N 1 2 290.367 0.575 20 30 CCEDLO N#Cc1cncc(C(=O)NCC2([NH+]3CCCC3)COC2)c1 ZINC001194114262 900045510 /nfs/dbraw/zinc/04/55/10/900045510.db2.gz VLUSRVFNUDZUDD-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)C=C2CCC2)CC1 ZINC001490487041 900636856 /nfs/dbraw/zinc/63/68/56/900636856.db2.gz UKZPFVORDBFILS-UHFFFAOYSA-N 1 2 275.396 0.854 20 30 CCEDLO CC(C)(C)/C=C\C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490530760 900645804 /nfs/dbraw/zinc/64/58/04/900645804.db2.gz JMAULUVPFBEGGB-RNZFLTOJSA-N 1 2 292.383 0.419 20 30 CCEDLO CC(C)(C)/C=C\C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490530760 900645808 /nfs/dbraw/zinc/64/58/08/900645808.db2.gz JMAULUVPFBEGGB-RNZFLTOJSA-N 1 2 292.383 0.419 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(C#N)n1 ZINC001412378642 901673970 /nfs/dbraw/zinc/67/39/70/901673970.db2.gz YVHBCNZOUZSUDU-LLVKDONJSA-N 1 2 271.280 0.150 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(C#N)ccn1 ZINC001412378573 901674722 /nfs/dbraw/zinc/67/47/22/901674722.db2.gz YIZBCSOXXZQTAL-NSHDSACASA-N 1 2 271.280 0.150 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327297553 902084852 /nfs/dbraw/zinc/08/48/52/902084852.db2.gz MUEOUEAEDZYQFQ-NSHDSACASA-N 1 2 264.329 0.470 20 30 CCEDLO N#Cc1c(F)cccc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413428433 902944378 /nfs/dbraw/zinc/94/43/78/902944378.db2.gz SPHZOXSEPUNDNL-JTQLQIEISA-N 1 2 288.282 0.754 20 30 CCEDLO N#Cc1c(F)cccc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413428433 902944389 /nfs/dbraw/zinc/94/43/89/902944389.db2.gz SPHZOXSEPUNDNL-JTQLQIEISA-N 1 2 288.282 0.754 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)[NH2+]Cc1nncs1 ZINC001491398553 903539197 /nfs/dbraw/zinc/53/91/97/903539197.db2.gz IMDGVALYUQZWDU-MRVPVSSYSA-N 1 2 285.398 0.389 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001316604749 904126518 /nfs/dbraw/zinc/12/65/18/904126518.db2.gz FHRHKCSNJCIBTD-LLVKDONJSA-N 1 2 263.345 0.456 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ncn[nH]1 ZINC001316604749 904126529 /nfs/dbraw/zinc/12/65/29/904126529.db2.gz FHRHKCSNJCIBTD-LLVKDONJSA-N 1 2 263.345 0.456 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC)O2 ZINC001280918798 904172642 /nfs/dbraw/zinc/17/26/42/904172642.db2.gz ILARJMPCBGGZCJ-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2(C)CC2)C1 ZINC001282518175 904490913 /nfs/dbraw/zinc/49/09/13/904490913.db2.gz KBZBZCLMWTYWCB-UHFFFAOYSA-N 1 2 250.342 0.363 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001282706201 904527734 /nfs/dbraw/zinc/52/77/34/904527734.db2.gz KKQAGZRILJYDAV-LBPRGKRZSA-N 1 2 289.379 0.139 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@]2(C1)C[N@H+](CC#C)CCO2 ZINC001282772429 904540188 /nfs/dbraw/zinc/54/01/88/904540188.db2.gz IXSRNFODMVYSRC-INIZCTEOSA-N 1 2 274.364 0.726 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CC#C)CCO2 ZINC001282772429 904540193 /nfs/dbraw/zinc/54/01/93/904540193.db2.gz IXSRNFODMVYSRC-INIZCTEOSA-N 1 2 274.364 0.726 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001283372592 904828842 /nfs/dbraw/zinc/82/88/42/904828842.db2.gz YFAKBWCYOAWAFQ-ZDUSSCGKSA-N 1 2 290.367 0.909 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001283793934 905020169 /nfs/dbraw/zinc/02/01/69/905020169.db2.gz YJMIDQPHZGGQQG-GXSJLCMTSA-N 1 2 295.387 0.453 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001283868131 905069549 /nfs/dbraw/zinc/06/95/49/905069549.db2.gz XFLXFJZQCCUDSZ-CMPLNLGQSA-N 1 2 296.396 0.820 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)C(F)F)C(C)C ZINC001284518350 905354244 /nfs/dbraw/zinc/35/42/44/905354244.db2.gz BGLYNYAKFAOGGG-UHFFFAOYSA-N 1 2 291.342 0.723 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C(=O)C(F)F)C(C)C ZINC001284518350 905354265 /nfs/dbraw/zinc/35/42/65/905354265.db2.gz BGLYNYAKFAOGGG-UHFFFAOYSA-N 1 2 291.342 0.723 20 30 CCEDLO CN(CCOCCNCC#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001284878598 905452693 /nfs/dbraw/zinc/45/26/93/905452693.db2.gz SULUSZNNESDDDY-UHFFFAOYSA-N 1 2 293.371 0.275 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@@H]2C[C@@H]2C)CC1 ZINC001286473583 905881615 /nfs/dbraw/zinc/88/16/15/905881615.db2.gz UFJHJHKXFHXRTP-WCQYABFASA-N 1 2 259.357 0.923 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001287607636 905937550 /nfs/dbraw/zinc/93/75/50/905937550.db2.gz NWLAWRPBAUBMIG-CYBMUJFWSA-N 1 2 290.367 0.506 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001296825332 906964675 /nfs/dbraw/zinc/96/46/75/906964675.db2.gz QWVDMMCWNQBJJR-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001382489771 907768942 /nfs/dbraw/zinc/76/89/42/907768942.db2.gz LAADWLOMJCNYQT-CYBMUJFWSA-N 1 2 296.415 0.841 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001382489771 907768952 /nfs/dbraw/zinc/76/89/52/907768952.db2.gz LAADWLOMJCNYQT-CYBMUJFWSA-N 1 2 296.415 0.841 20 30 CCEDLO CN(CC#N)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001492257513 907808095 /nfs/dbraw/zinc/80/80/95/907808095.db2.gz KZWQPYISYNZMIS-CYBMUJFWSA-N 1 2 290.371 0.362 20 30 CCEDLO CN(CC#N)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001492257513 907808102 /nfs/dbraw/zinc/80/81/02/907808102.db2.gz KZWQPYISYNZMIS-CYBMUJFWSA-N 1 2 290.371 0.362 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001384637735 908269691 /nfs/dbraw/zinc/26/96/91/908269691.db2.gz YIGZFDLIGPMWMG-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO COC[C@]1(CO)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC001307775473 908342813 /nfs/dbraw/zinc/34/28/13/908342813.db2.gz OLMPAOMZNRFFLI-GFCCVEGCSA-N 1 2 267.354 0.846 20 30 CCEDLO COC[C@]1(CO)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC001307775473 908342826 /nfs/dbraw/zinc/34/28/26/908342826.db2.gz OLMPAOMZNRFFLI-GFCCVEGCSA-N 1 2 267.354 0.846 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001385942156 908555137 /nfs/dbraw/zinc/55/51/37/908555137.db2.gz SSOFZTBGQZYFAO-IJLUTSLNSA-N 1 2 289.339 0.196 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001316967514 908878840 /nfs/dbraw/zinc/87/88/40/908878840.db2.gz CJGBHCUNUDCTRS-CQSZACIVSA-N 1 2 265.401 0.646 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)C2CC3(CC3)C2)CC1 ZINC001316967452 908879523 /nfs/dbraw/zinc/87/95/23/908879523.db2.gz ADKWAEAVDABTCY-UHFFFAOYSA-N 1 2 289.423 0.934 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001316988385 908899045 /nfs/dbraw/zinc/89/90/45/908899045.db2.gz ZQEUGAPDXNQXMC-SNVBAGLBSA-N 1 2 280.303 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001316988385 908899065 /nfs/dbraw/zinc/89/90/65/908899065.db2.gz ZQEUGAPDXNQXMC-SNVBAGLBSA-N 1 2 280.303 0.003 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001316986632 908899611 /nfs/dbraw/zinc/89/96/11/908899611.db2.gz YZCXZPICMSVINT-CZUORRHYSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001316986632 908899624 /nfs/dbraw/zinc/89/96/24/908899624.db2.gz YZCXZPICMSVINT-CZUORRHYSA-N 1 2 291.395 0.835 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001316989491 908900314 /nfs/dbraw/zinc/90/03/14/908900314.db2.gz FCJYRBBZXDVSPZ-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001316989491 908900324 /nfs/dbraw/zinc/90/03/24/908900324.db2.gz FCJYRBBZXDVSPZ-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001316995391 908907201 /nfs/dbraw/zinc/90/72/01/908907201.db2.gz WIYCGEKAFFJPCO-MNOVXSKESA-N 1 2 274.386 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001316995391 908907208 /nfs/dbraw/zinc/90/72/08/908907208.db2.gz WIYCGEKAFFJPCO-MNOVXSKESA-N 1 2 274.386 0.044 20 30 CCEDLO CC(C)OCC[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001318024767 909585342 /nfs/dbraw/zinc/58/53/42/909585342.db2.gz OKDLBBGZUMAGLM-UHFFFAOYSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CC(C)(C)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001318029313 909592211 /nfs/dbraw/zinc/59/22/11/909592211.db2.gz SVIBKIVLKXBCGW-LBPRGKRZSA-N 1 2 270.373 0.396 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)CCc2cn[nH]n2)C1 ZINC001318062308 909603058 /nfs/dbraw/zinc/60/30/58/909603058.db2.gz ASRNRMNROFQFOC-UHFFFAOYSA-N 1 2 263.345 0.504 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)CCc2c[nH]nn2)C1 ZINC001318062308 909603064 /nfs/dbraw/zinc/60/30/64/909603064.db2.gz ASRNRMNROFQFOC-UHFFFAOYSA-N 1 2 263.345 0.504 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001318191045 909657188 /nfs/dbraw/zinc/65/71/88/909657188.db2.gz VWSMPUHBXGSGJU-XBFCOCLRSA-N 1 2 291.395 0.905 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001318191045 909657196 /nfs/dbraw/zinc/65/71/96/909657196.db2.gz VWSMPUHBXGSGJU-XBFCOCLRSA-N 1 2 291.395 0.905 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)CC)C1 ZINC001318477797 909773680 /nfs/dbraw/zinc/77/36/80/909773680.db2.gz IIQZCLWSBYRVAE-CHWSQXEVSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)CC)C1 ZINC001318477797 909773688 /nfs/dbraw/zinc/77/36/88/909773688.db2.gz IIQZCLWSBYRVAE-CHWSQXEVSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001320085437 910457857 /nfs/dbraw/zinc/45/78/57/910457857.db2.gz QWOIHYICNYNJRZ-CQSZACIVSA-N 1 2 289.379 0.832 20 30 CCEDLO C=C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001320085437 910457867 /nfs/dbraw/zinc/45/78/67/910457867.db2.gz QWOIHYICNYNJRZ-CQSZACIVSA-N 1 2 289.379 0.832 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC001320281092 910574019 /nfs/dbraw/zinc/57/40/19/910574019.db2.gz CBYOROPRPPCESU-UHFFFAOYSA-N 1 2 253.327 0.663 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nccs1 ZINC001320281092 910574030 /nfs/dbraw/zinc/57/40/30/910574030.db2.gz CBYOROPRPPCESU-UHFFFAOYSA-N 1 2 253.327 0.663 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCCF ZINC001338894732 921597103 /nfs/dbraw/zinc/59/71/03/921597103.db2.gz LIIMHKFWSWVRII-NWDGAFQWSA-N 1 2 297.378 0.997 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCCF ZINC001338894732 921597110 /nfs/dbraw/zinc/59/71/10/921597110.db2.gz LIIMHKFWSWVRII-NWDGAFQWSA-N 1 2 297.378 0.997 20 30 CCEDLO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)CCC(N)=O ZINC001339343223 921705525 /nfs/dbraw/zinc/70/55/25/921705525.db2.gz HNIVZCOZBVMOBM-LLVKDONJSA-N 1 2 274.386 0.317 20 30 CCEDLO C=C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)CCC(N)=O ZINC001339343223 921705532 /nfs/dbraw/zinc/70/55/32/921705532.db2.gz HNIVZCOZBVMOBM-LLVKDONJSA-N 1 2 274.386 0.317 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001392663508 912054016 /nfs/dbraw/zinc/05/40/16/912054016.db2.gz YUFWVKSJPPHXMF-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001392663508 912054041 /nfs/dbraw/zinc/05/40/41/912054041.db2.gz YUFWVKSJPPHXMF-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](CNCC#N)C1CC1 ZINC001323035461 912080577 /nfs/dbraw/zinc/08/05/77/912080577.db2.gz LFHJTJXJMWUEQP-GFCCVEGCSA-N 1 2 275.356 0.361 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CNCC#N)C1CC1 ZINC001323079659 912106051 /nfs/dbraw/zinc/10/60/51/912106051.db2.gz BDKITXLWORPVAP-ZWNOBZJWSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CNCC#N)C1CC1 ZINC001323079659 912106055 /nfs/dbraw/zinc/10/60/55/912106055.db2.gz BDKITXLWORPVAP-ZWNOBZJWSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001400070678 915546286 /nfs/dbraw/zinc/54/62/86/915546286.db2.gz KOMSJJDNCXAECE-NWDGAFQWSA-N 1 2 291.355 0.444 20 30 CCEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](CC)C2)nc1 ZINC001329707181 916139248 /nfs/dbraw/zinc/13/92/48/916139248.db2.gz DLPGBWCRWXSYNJ-UHFFFAOYSA-N 1 2 273.336 0.249 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)C=C)C2)C1 ZINC001330158537 916440362 /nfs/dbraw/zinc/44/03/62/916440362.db2.gz AHAODNFCKJBKRV-HOTGVXAUSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)C=C)C2)C1 ZINC001330158537 916440375 /nfs/dbraw/zinc/44/03/75/916440375.db2.gz AHAODNFCKJBKRV-HOTGVXAUSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@](C)(O)C=C)C2)C1 ZINC001330158538 916441443 /nfs/dbraw/zinc/44/14/43/916441443.db2.gz AHAODNFCKJBKRV-HZPDHXFCSA-N 1 2 294.395 0.803 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@](C)(O)C=C)C2)C1 ZINC001330158538 916441460 /nfs/dbraw/zinc/44/14/60/916441460.db2.gz AHAODNFCKJBKRV-HZPDHXFCSA-N 1 2 294.395 0.803 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401743109 916550552 /nfs/dbraw/zinc/55/05/52/916550552.db2.gz ZJBVKOSAYGRHAC-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401743109 916550560 /nfs/dbraw/zinc/55/05/60/916550560.db2.gz ZJBVKOSAYGRHAC-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001401866210 916641765 /nfs/dbraw/zinc/64/17/65/916641765.db2.gz DHJJQKIADJJPKW-GWCFXTLKSA-N 1 2 275.356 0.579 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001401866210 916641778 /nfs/dbraw/zinc/64/17/78/916641778.db2.gz DHJJQKIADJJPKW-GWCFXTLKSA-N 1 2 275.356 0.579 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(OCC(N)=O)CC2)nn1 ZINC001330766083 916846962 /nfs/dbraw/zinc/84/69/62/916846962.db2.gz KWCFNSYANHKDGF-UHFFFAOYSA-N 1 2 293.371 0.321 20 30 CCEDLO C=CCCC(=O)N(C)[C@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001331259771 917224947 /nfs/dbraw/zinc/22/49/47/917224947.db2.gz UEVBBYSKMMODKP-GFCCVEGCSA-N 1 2 292.387 0.503 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001331259772 917227186 /nfs/dbraw/zinc/22/71/86/917227186.db2.gz UEVBBYSKMMODKP-LBPRGKRZSA-N 1 2 292.387 0.503 20 30 CCEDLO N#C[C@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001332368703 918096387 /nfs/dbraw/zinc/09/63/87/918096387.db2.gz ZXIYLPZSEDFHCO-SFYZADRCSA-N 1 2 276.218 0.377 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(C#CCO)c1 ZINC001332694457 918386671 /nfs/dbraw/zinc/38/66/71/918386671.db2.gz KNYMVKJCFMQEDZ-AWEZNQCLSA-N 1 2 299.330 0.227 20 30 CCEDLO N#CCCCCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001332708502 918396217 /nfs/dbraw/zinc/39/62/17/918396217.db2.gz VZZPYCGXRCKKFZ-GFCCVEGCSA-N 1 2 261.329 0.967 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404686500 918428718 /nfs/dbraw/zinc/42/87/18/918428718.db2.gz YIKROAYJCLHXFT-UWVGGRQHSA-N 1 2 289.339 0.075 20 30 CCEDLO C=CCCCN(CC)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001334305682 919486471 /nfs/dbraw/zinc/48/64/71/919486471.db2.gz NBBXGEXCSPGJJO-UHFFFAOYSA-N 1 2 292.383 0.894 20 30 CCEDLO C=CCn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001335328004 920125334 /nfs/dbraw/zinc/12/53/34/920125334.db2.gz QGORTLOOBPNFMK-UHFFFAOYSA-N 1 2 285.355 0.576 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001336390442 920752403 /nfs/dbraw/zinc/75/24/03/920752403.db2.gz WLAKXGMBLKNRHU-CYBMUJFWSA-N 1 2 270.373 0.494 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001418437168 922095950 /nfs/dbraw/zinc/09/59/50/922095950.db2.gz QIOPINNUHXQKNJ-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001418437168 922095964 /nfs/dbraw/zinc/09/59/64/922095964.db2.gz QIOPINNUHXQKNJ-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC001340895979 922264064 /nfs/dbraw/zinc/26/40/64/922264064.db2.gz LNYFJZNIVDPPDU-JGVFFNPUSA-N 1 2 264.272 0.593 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cn(C)nn1 ZINC001418582194 922277385 /nfs/dbraw/zinc/27/73/85/922277385.db2.gz GCJFACZDFUONOZ-UHFFFAOYSA-N 1 2 299.806 0.938 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cn(C)nn1 ZINC001418582194 922277399 /nfs/dbraw/zinc/27/73/99/922277399.db2.gz GCJFACZDFUONOZ-UHFFFAOYSA-N 1 2 299.806 0.938 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001419056039 922601619 /nfs/dbraw/zinc/60/16/19/922601619.db2.gz BCJWCMQDQFRDKJ-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001419056039 922601628 /nfs/dbraw/zinc/60/16/28/922601628.db2.gz BCJWCMQDQFRDKJ-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001419713609 923026930 /nfs/dbraw/zinc/02/69/30/923026930.db2.gz PAVFTCXVSRRYNN-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO CCS(=O)(=O)CCC[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001420189912 923392338 /nfs/dbraw/zinc/39/23/38/923392338.db2.gz GAJHJXDXDIAJDP-NSHDSACASA-N 1 2 289.401 0.019 20 30 CCEDLO CCS(=O)(=O)CCC[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001420189912 923392352 /nfs/dbraw/zinc/39/23/52/923392352.db2.gz GAJHJXDXDIAJDP-NSHDSACASA-N 1 2 289.401 0.019 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001421237920 924233043 /nfs/dbraw/zinc/23/30/43/924233043.db2.gz MCXRNVABDXUUEF-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001421237920 924233058 /nfs/dbraw/zinc/23/30/58/924233058.db2.gz MCXRNVABDXUUEF-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001348793793 924805839 /nfs/dbraw/zinc/80/58/39/924805839.db2.gz OCZNWAAJGOLUOW-OLZOCXBDSA-N 1 2 266.389 0.333 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001349493411 924975163 /nfs/dbraw/zinc/97/51/63/924975163.db2.gz IWHYJTXCCHTMPK-NSHDSACASA-N 1 2 278.356 0.787 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC001349636591 925009079 /nfs/dbraw/zinc/00/90/79/925009079.db2.gz MBXQOCMAANLSOU-ZYHUDNBSSA-N 1 2 251.330 0.658 20 30 CCEDLO N#CCC[C@H](C#N)C[NH+]1CCC(CO)(CO)CC1 ZINC001349710662 925029517 /nfs/dbraw/zinc/02/95/17/925029517.db2.gz VDKPHIHRECQBII-GFCCVEGCSA-N 1 2 251.330 0.497 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349878709 925082672 /nfs/dbraw/zinc/08/26/72/925082672.db2.gz FQFKCRFKAPKGLI-OLZOCXBDSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001350762773 925273641 /nfs/dbraw/zinc/27/36/41/925273641.db2.gz FUJFNTLZNGFYHI-CYBMUJFWSA-N 1 2 290.367 0.978 20 30 CCEDLO C=CCn1nnnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001351010743 925337032 /nfs/dbraw/zinc/33/70/32/925337032.db2.gz MIUKKZLVXSFHRC-UHFFFAOYSA-N 1 2 259.317 0.966 20 30 CCEDLO C=C1CCN(c2nnc([C@@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001351132281 925367117 /nfs/dbraw/zinc/36/71/17/925367117.db2.gz IJWHFRWQGIPUPX-RYUDHWBXSA-N 1 2 277.372 0.709 20 30 CCEDLO C=C1CCN(c2nnc([C@@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001351132281 925367126 /nfs/dbraw/zinc/36/71/26/925367126.db2.gz IJWHFRWQGIPUPX-RYUDHWBXSA-N 1 2 277.372 0.709 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001351136253 925367589 /nfs/dbraw/zinc/36/75/89/925367589.db2.gz ZAGRAYKFHBBHPW-MNOVXSKESA-N 1 2 263.345 0.012 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001351136253 925367600 /nfs/dbraw/zinc/36/76/00/925367600.db2.gz ZAGRAYKFHBBHPW-MNOVXSKESA-N 1 2 263.345 0.012 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001480110099 925508648 /nfs/dbraw/zinc/50/86/48/925508648.db2.gz YIZFNTYHNWZLMA-NSHDSACASA-N 1 2 278.381 0.888 20 30 CCEDLO C#CCn1ccc(CN(CC)c2cc(N)nc[nH+]2)n1 ZINC001354177756 926032036 /nfs/dbraw/zinc/03/20/36/926032036.db2.gz IJOQTXREVPBEBP-UHFFFAOYSA-N 1 2 256.313 0.915 20 30 CCEDLO C#CCCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001356773495 926436523 /nfs/dbraw/zinc/43/65/23/926436523.db2.gz WWTKROKKIMYGID-UHFFFAOYSA-N 1 2 274.324 0.014 20 30 CCEDLO CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC001421950406 927010658 /nfs/dbraw/zinc/01/06/58/927010658.db2.gz ZIKHSJZRESKPHX-JTQLQIEISA-N 1 2 292.364 0.626 20 30 CCEDLO CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC001421950406 927010668 /nfs/dbraw/zinc/01/06/68/927010668.db2.gz ZIKHSJZRESKPHX-JTQLQIEISA-N 1 2 292.364 0.626 20 30 CCEDLO CCc1nnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)s1 ZINC001423200378 927735734 /nfs/dbraw/zinc/73/57/34/927735734.db2.gz NFTSHUQAJBIISC-SECBINFHSA-N 1 2 293.396 0.999 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CCNC2=O)C1 ZINC001425229918 928469000 /nfs/dbraw/zinc/46/90/00/928469000.db2.gz MWHLSGRRZFVNDE-WDEREUQCSA-N 1 2 299.802 0.702 20 30 CCEDLO C[C@H]1[C@@H](O)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001363792661 929579996 /nfs/dbraw/zinc/57/99/96/929579996.db2.gz UWDLFWOFCFBAOX-FZMZJTMJSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H]1[C@@H](O)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001363792661 929580005 /nfs/dbraw/zinc/58/00/05/929580005.db2.gz UWDLFWOFCFBAOX-FZMZJTMJSA-N 1 2 294.376 0.787 20 30 CCEDLO COc1cccc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001443568959 929649492 /nfs/dbraw/zinc/64/94/92/929649492.db2.gz HBSOXSWJQSUNLS-LLVKDONJSA-N 1 2 288.351 0.798 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001443569680 929649533 /nfs/dbraw/zinc/64/95/33/929649533.db2.gz KPDLMGVJEMTNEL-JTQLQIEISA-N 1 2 276.315 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001445090787 930029308 /nfs/dbraw/zinc/02/93/08/930029308.db2.gz LQCMNEMRLBEWIS-UHFFFAOYSA-N 1 2 298.774 0.870 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001445090787 930029321 /nfs/dbraw/zinc/02/93/21/930029321.db2.gz LQCMNEMRLBEWIS-UHFFFAOYSA-N 1 2 298.774 0.870 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001375030263 930770947 /nfs/dbraw/zinc/77/09/47/930770947.db2.gz FDKSWADIMYJISU-IUCAKERBSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001375030263 930770952 /nfs/dbraw/zinc/77/09/52/930770952.db2.gz FDKSWADIMYJISU-IUCAKERBSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001588664087 983798379 /nfs/dbraw/zinc/79/83/79/983798379.db2.gz SMBKORFJZVHROK-GFCCVEGCSA-N 1 2 295.383 0.431 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599584047 361753187 /nfs/dbraw/zinc/75/31/87/361753187.db2.gz YSKRSHKUTCWURN-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599584047 361753192 /nfs/dbraw/zinc/75/31/92/361753192.db2.gz YSKRSHKUTCWURN-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000599662808 361776773 /nfs/dbraw/zinc/77/67/73/361776773.db2.gz AIMCFLADKKEVMQ-CQSZACIVSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000599662808 361776778 /nfs/dbraw/zinc/77/67/78/361776778.db2.gz AIMCFLADKKEVMQ-CQSZACIVSA-N 1 2 289.335 0.513 20 30 CCEDLO C=CCOC[C@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000600152934 361877867 /nfs/dbraw/zinc/87/78/67/361877867.db2.gz HELDGZGODJGDJV-JTQLQIEISA-N 1 2 253.302 0.552 20 30 CCEDLO Cc1cc(NCCNC(=O)CC#N)nc(C(C)C)[nH+]1 ZINC000600366172 361933343 /nfs/dbraw/zinc/93/33/43/361933343.db2.gz MWXJMBKZKFFGGQ-UHFFFAOYSA-N 1 2 261.329 0.772 20 30 CCEDLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000347990148 529401262 /nfs/dbraw/zinc/40/12/62/529401262.db2.gz ANYKEQWFOGNKLH-DGCLKSJQSA-N 1 2 283.372 0.926 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422278 361956636 /nfs/dbraw/zinc/95/66/36/361956636.db2.gz UJIQCCBZEAYKFM-NSHDSACASA-N 1 2 262.313 0.255 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422278 361956638 /nfs/dbraw/zinc/95/66/38/361956638.db2.gz UJIQCCBZEAYKFM-NSHDSACASA-N 1 2 262.313 0.255 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600422277 361957267 /nfs/dbraw/zinc/95/72/67/361957267.db2.gz UJIQCCBZEAYKFM-LLVKDONJSA-N 1 2 262.313 0.255 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422277 361957274 /nfs/dbraw/zinc/95/72/74/361957274.db2.gz UJIQCCBZEAYKFM-LLVKDONJSA-N 1 2 262.313 0.255 20 30 CCEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330281432 529434267 /nfs/dbraw/zinc/43/42/67/529434267.db2.gz UQNDCOQXASWTCR-FZMZJTMJSA-N 1 2 278.356 0.959 20 30 CCEDLO C=C1CC[NH+](Cc2cn(CC(=O)OC)nn2)CC1 ZINC000294978047 199280795 /nfs/dbraw/zinc/28/07/95/199280795.db2.gz XGUAIJVTDTWBQE-UHFFFAOYSA-N 1 2 250.302 0.603 20 30 CCEDLO Cc1c(C#N)c(=O)n(CCn2cc[nH+]c2)c(=O)n1C1CC1 ZINC000601092845 362147588 /nfs/dbraw/zinc/14/75/88/362147588.db2.gz QQADDPXWPDJYSG-UHFFFAOYSA-N 1 2 285.307 0.422 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333057497 529784024 /nfs/dbraw/zinc/78/40/24/529784024.db2.gz AQFKGVIQIVEPTA-SWLSCSKDSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333057497 529784025 /nfs/dbraw/zinc/78/40/25/529784025.db2.gz AQFKGVIQIVEPTA-SWLSCSKDSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000330228165 529788031 /nfs/dbraw/zinc/78/80/31/529788031.db2.gz VFSRWONPKRGTSP-CHWSQXEVSA-N 1 2 297.399 0.922 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000330228165 529788033 /nfs/dbraw/zinc/78/80/33/529788033.db2.gz VFSRWONPKRGTSP-CHWSQXEVSA-N 1 2 297.399 0.922 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)cn1 ZINC000155633940 290697788 /nfs/dbraw/zinc/69/77/88/290697788.db2.gz XSKIPYTZAOOVOG-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO CN1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330289260 529824273 /nfs/dbraw/zinc/82/42/73/529824273.db2.gz BXCZALVZGVXCAP-NXEZZACHSA-N 1 2 262.313 0.633 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000115371622 349853571 /nfs/dbraw/zinc/85/35/71/349853571.db2.gz UFAFEIITZUCNPA-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333689934 530070543 /nfs/dbraw/zinc/07/05/43/530070543.db2.gz FYLDUHOQTMFKNA-XQQFMLRXSA-N 1 2 279.388 0.224 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333689934 530070544 /nfs/dbraw/zinc/07/05/44/530070544.db2.gz FYLDUHOQTMFKNA-XQQFMLRXSA-N 1 2 279.388 0.224 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000602615397 362714145 /nfs/dbraw/zinc/71/41/45/362714145.db2.gz GJWPEGYNLGGNNR-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000602615397 362714150 /nfs/dbraw/zinc/71/41/50/362714150.db2.gz GJWPEGYNLGGNNR-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO CC(C)(C#N)C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000602615067 362714842 /nfs/dbraw/zinc/71/48/42/362714842.db2.gz QATVSGGCYWOBQN-LLVKDONJSA-N 1 2 263.345 0.954 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000602643295 362728850 /nfs/dbraw/zinc/72/88/50/362728850.db2.gz DBRFNIUVLAKDCL-UPJWGTAASA-N 1 2 298.383 0.768 20 30 CCEDLO C[C@H](c1nncn1C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849284 362835897 /nfs/dbraw/zinc/83/58/97/362835897.db2.gz KWJIZCISCNDZHU-IJLUTSLNSA-N 1 2 262.361 0.794 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000602843314 362831113 /nfs/dbraw/zinc/83/11/13/362831113.db2.gz ZZKYIVKOCSZXBC-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000602862789 362846583 /nfs/dbraw/zinc/84/65/83/362846583.db2.gz JTZJGCDZRWKBQE-NSHDSACASA-N 1 2 266.345 0.007 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602861997 362846818 /nfs/dbraw/zinc/84/68/18/362846818.db2.gz KEMHROSBNWCUNJ-PWSUYJOCSA-N 1 2 266.345 0.005 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H](C)[NH+]1CCOCC1 ZINC000339983610 137083404 /nfs/dbraw/zinc/08/34/04/137083404.db2.gz DJFXKHJZZAYNHA-GHMZBOCLSA-N 1 2 277.324 0.990 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCC1 ZINC000011501330 348017370 /nfs/dbraw/zinc/01/73/70/348017370.db2.gz DRRCHYOSWZDBGQ-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCC1 ZINC000011501330 348017372 /nfs/dbraw/zinc/01/73/72/348017372.db2.gz DRRCHYOSWZDBGQ-HNNXBMFYSA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000041992806 348263941 /nfs/dbraw/zinc/26/39/41/348263941.db2.gz MPLGMTKNHAZBMD-NSHDSACASA-N 1 2 297.318 0.898 20 30 CCEDLO CO[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@](C)(CO)C1 ZINC000602962775 362910971 /nfs/dbraw/zinc/91/09/71/362910971.db2.gz OXWBUWKYRMWCFI-PWSUYJOCSA-N 1 2 267.354 0.986 20 30 CCEDLO CO[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@](C)(CO)C1 ZINC000602962775 362910977 /nfs/dbraw/zinc/91/09/77/362910977.db2.gz OXWBUWKYRMWCFI-PWSUYJOCSA-N 1 2 267.354 0.986 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974917 362915921 /nfs/dbraw/zinc/91/59/21/362915921.db2.gz VWBAOPBFCUNLIH-GHMZBOCLSA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974917 362915927 /nfs/dbraw/zinc/91/59/27/362915927.db2.gz VWBAOPBFCUNLIH-GHMZBOCLSA-N 1 2 267.329 0.290 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047857708 348389831 /nfs/dbraw/zinc/38/98/31/348389831.db2.gz HQTMCNCZCSYFSE-LBPRGKRZSA-N 1 2 287.367 0.552 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)CC(=O)NCC ZINC000061783799 348659159 /nfs/dbraw/zinc/65/91/59/348659159.db2.gz HRZWSARWDIFBNE-UHFFFAOYSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(=O)NCC ZINC000061783799 348659160 /nfs/dbraw/zinc/65/91/60/348659160.db2.gz HRZWSARWDIFBNE-UHFFFAOYSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000066306951 348738850 /nfs/dbraw/zinc/73/88/50/348738850.db2.gz GHQMWCBVFZDTTQ-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000066316304 348739273 /nfs/dbraw/zinc/73/92/73/348739273.db2.gz UUILKZNIEWZFRA-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCC#N)CC2 ZINC000066496643 348745900 /nfs/dbraw/zinc/74/59/00/348745900.db2.gz GRRMIEZRMMLLMQ-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCC#N)CC2 ZINC000066496643 348745901 /nfs/dbraw/zinc/74/59/01/348745901.db2.gz GRRMIEZRMMLLMQ-UHFFFAOYSA-N 1 2 259.309 0.693 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072982790 348940083 /nfs/dbraw/zinc/94/00/83/348940083.db2.gz BDPFINARKGTLLY-LLVKDONJSA-N 1 2 293.371 0.735 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000072982790 348940086 /nfs/dbraw/zinc/94/00/86/348940086.db2.gz BDPFINARKGTLLY-LLVKDONJSA-N 1 2 293.371 0.735 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108752 348942907 /nfs/dbraw/zinc/94/29/07/348942907.db2.gz IVSQZMATVVQPRA-CYBMUJFWSA-N 1 2 299.378 0.766 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000071010987 348902173 /nfs/dbraw/zinc/90/21/73/348902173.db2.gz IXTMMCLYEXIJJO-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000071010987 348902176 /nfs/dbraw/zinc/90/21/76/348902176.db2.gz IXTMMCLYEXIJJO-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C#CC[N@@H+](CCC(=O)OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000072609722 348924932 /nfs/dbraw/zinc/92/49/32/348924932.db2.gz VHJAOIPOJWCYHA-GFCCVEGCSA-N 1 2 287.381 0.450 20 30 CCEDLO C#CC[N@H+](CCC(=O)OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000072609722 348924935 /nfs/dbraw/zinc/92/49/35/348924935.db2.gz VHJAOIPOJWCYHA-GFCCVEGCSA-N 1 2 287.381 0.450 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CC)C(=O)OCC)CC1 ZINC000075586904 349039837 /nfs/dbraw/zinc/03/98/37/349039837.db2.gz SAXLDRWLHRZDQT-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC)C[C@@H](C)C#N)CC1 ZINC000081667590 349279332 /nfs/dbraw/zinc/27/93/32/349279332.db2.gz USLOWLKEEHSIFF-AWEZNQCLSA-N 1 2 276.384 0.245 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCCC#N)CC1 ZINC000088594834 349369421 /nfs/dbraw/zinc/36/94/21/349369421.db2.gz CBKIBPBIZYQEOA-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCCC#N)CC1 ZINC000088594834 349369423 /nfs/dbraw/zinc/36/94/23/349369423.db2.gz CBKIBPBIZYQEOA-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C ZINC000125447631 350122261 /nfs/dbraw/zinc/12/22/61/350122261.db2.gz RLHNNBYJIURIFB-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C ZINC000125447631 350122265 /nfs/dbraw/zinc/12/22/65/350122265.db2.gz RLHNNBYJIURIFB-NSHDSACASA-N 1 2 294.380 0.668 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090697 362958002 /nfs/dbraw/zinc/95/80/02/362958002.db2.gz WSGCWKPJGGRSER-VNHYZAJKSA-N 1 2 272.304 0.839 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090697 362958009 /nfs/dbraw/zinc/95/80/09/362958009.db2.gz WSGCWKPJGGRSER-VNHYZAJKSA-N 1 2 272.304 0.839 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H](C)N1CC#N ZINC000603098326 362962107 /nfs/dbraw/zinc/96/21/07/362962107.db2.gz NTXPHVHINGPURT-VXGBXAGGSA-N 1 2 275.356 0.407 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H]2COCC[N@H+]2C)ncc1C#N ZINC000603122731 362970253 /nfs/dbraw/zinc/97/02/53/362970253.db2.gz YTEBJWYRIHZPLX-LBPRGKRZSA-N 1 2 289.339 0.136 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H]2COCC[N@@H+]2C)ncc1C#N ZINC000603122731 362970257 /nfs/dbraw/zinc/97/02/57/362970257.db2.gz YTEBJWYRIHZPLX-LBPRGKRZSA-N 1 2 289.339 0.136 20 30 CCEDLO CC1CC[NH+](CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000162713430 350751287 /nfs/dbraw/zinc/75/12/87/350751287.db2.gz UCBHNDPEWZLSRZ-UHFFFAOYSA-N 1 2 272.312 0.823 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000166229244 350796788 /nfs/dbraw/zinc/79/67/88/350796788.db2.gz GCMKJCFVCNXUAZ-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000166229244 350796791 /nfs/dbraw/zinc/79/67/91/350796791.db2.gz GCMKJCFVCNXUAZ-ZIAGYGMSSA-N 1 2 274.320 0.975 20 30 CCEDLO C=CCCC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000172180049 350963663 /nfs/dbraw/zinc/96/36/63/350963663.db2.gz LCMQUHFUPOROBB-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=CCCC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000172180049 350963665 /nfs/dbraw/zinc/96/36/65/350963665.db2.gz LCMQUHFUPOROBB-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C=CCCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000172180049 350963669 /nfs/dbraw/zinc/96/36/69/350963669.db2.gz LCMQUHFUPOROBB-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603198024 362995566 /nfs/dbraw/zinc/99/55/66/362995566.db2.gz FWKINQBBHATNRN-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603198024 362995569 /nfs/dbraw/zinc/99/55/69/362995569.db2.gz FWKINQBBHATNRN-UHFFFAOYSA-N 1 2 289.314 0.761 20 30 CCEDLO Cc1ccc(Cn2cc(CNC(=O)CC#N)nn2)c(C)[nH+]1 ZINC000603232707 363014441 /nfs/dbraw/zinc/01/44/41/363014441.db2.gz LCDQEVZHJGHOOE-UHFFFAOYSA-N 1 2 284.323 0.868 20 30 CCEDLO COCC[N@H+](C)Cc1cn(C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000603266929 363035348 /nfs/dbraw/zinc/03/53/48/363035348.db2.gz KQGOGHRTUQCRBV-ZDUSSCGKSA-N 1 2 295.387 0.657 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000603266929 363035353 /nfs/dbraw/zinc/03/53/53/363035353.db2.gz KQGOGHRTUQCRBV-ZDUSSCGKSA-N 1 2 295.387 0.657 20 30 CCEDLO CCc1nc([C@H](C)[NH2+]CC(=O)NCC#N)cs1 ZINC000184695561 351418802 /nfs/dbraw/zinc/41/88/02/351418802.db2.gz QJIQYEYRDOZUHC-QMMMGPOBSA-N 1 2 252.343 0.996 20 30 CCEDLO N#CC1(CNS(=O)(=O)CCn2cc[nH+]c2)CCCC1 ZINC000603367338 363092231 /nfs/dbraw/zinc/09/22/31/363092231.db2.gz BRVCSIVBSWEYCD-UHFFFAOYSA-N 1 2 282.369 0.886 20 30 CCEDLO COc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccc1C#N ZINC000235000725 352179397 /nfs/dbraw/zinc/17/93/97/352179397.db2.gz RIJCITANSMQIJU-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ccc1C#N ZINC000235000725 352179401 /nfs/dbraw/zinc/17/94/01/352179401.db2.gz RIJCITANSMQIJU-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO C#CCSCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000265785665 352664192 /nfs/dbraw/zinc/66/41/92/352664192.db2.gz MVMSWUWFWAEGRV-UHFFFAOYSA-N 1 2 293.348 0.511 20 30 CCEDLO C#CC(C)(C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266869381 352728301 /nfs/dbraw/zinc/72/83/01/352728301.db2.gz WYDBUQYSSLBHTN-UHFFFAOYSA-N 1 2 286.379 0.732 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cn1 ZINC000267326926 352759861 /nfs/dbraw/zinc/75/98/61/352759861.db2.gz BBDTVTDSUCQTLG-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000157539535 188323687 /nfs/dbraw/zinc/32/36/87/188323687.db2.gz QARQAEDVSAAIBC-UHFFFAOYSA-N 1 2 285.391 0.944 20 30 CCEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1C#N ZINC000282337044 353414898 /nfs/dbraw/zinc/41/48/98/353414898.db2.gz ONUHSCGCGAFOIP-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1C#N ZINC000282337044 353414900 /nfs/dbraw/zinc/41/49/00/353414900.db2.gz ONUHSCGCGAFOIP-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000294184157 353876991 /nfs/dbraw/zinc/87/69/91/353876991.db2.gz ARYYTBYYPHUHBX-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000294184157 353876994 /nfs/dbraw/zinc/87/69/94/353876994.db2.gz ARYYTBYYPHUHBX-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC(=O)N1 ZINC000296065325 353929710 /nfs/dbraw/zinc/92/97/10/353929710.db2.gz DBIHDTCUWQALEA-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC(=O)N1 ZINC000296065325 353929713 /nfs/dbraw/zinc/92/97/13/353929713.db2.gz DBIHDTCUWQALEA-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000299341160 354010649 /nfs/dbraw/zinc/01/06/49/354010649.db2.gz QJOJSVDCSBPVGJ-AWEZNQCLSA-N 1 2 297.358 0.969 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCCOCC ZINC000299366589 354011559 /nfs/dbraw/zinc/01/15/59/354011559.db2.gz RPIZDSIAFVNFTK-ZDUSSCGKSA-N 1 2 250.342 0.486 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330275405 354315297 /nfs/dbraw/zinc/31/52/97/354315297.db2.gz LLQWCSMTVXFBAW-SNVBAGLBSA-N 1 2 264.329 0.833 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331145669 354466598 /nfs/dbraw/zinc/46/65/98/354466598.db2.gz YNYNAASWOZWRRC-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331145669 354466601 /nfs/dbraw/zinc/46/66/01/354466601.db2.gz YNYNAASWOZWRRC-KGLIPLIRSA-N 1 2 274.320 0.975 20 30 CCEDLO CN(C)c1[nH+]cccc1CNc1ncncc1C#N ZINC000558310747 291051437 /nfs/dbraw/zinc/05/14/37/291051437.db2.gz CMQQHHJZDIGRGF-UHFFFAOYSA-N 1 2 254.297 0.843 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCCNC3=O)CC2)cc1 ZINC000336858487 355218507 /nfs/dbraw/zinc/21/85/07/355218507.db2.gz ZGDXLGUPUFEAMJ-INIZCTEOSA-N 1 2 298.390 0.954 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCCNC3=O)CC2)cc1 ZINC000336858487 355218513 /nfs/dbraw/zinc/21/85/13/355218513.db2.gz ZGDXLGUPUFEAMJ-INIZCTEOSA-N 1 2 298.390 0.954 20 30 CCEDLO CC(C)(C(=O)NCC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000338267747 355312000 /nfs/dbraw/zinc/31/20/00/355312000.db2.gz LDBWYSXDZCGKOL-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCNC1=O ZINC000340221749 355528122 /nfs/dbraw/zinc/52/81/22/355528122.db2.gz QPSDITKEQRVFKD-GFCCVEGCSA-N 1 2 272.308 0.317 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCNC1=O ZINC000340221749 355528124 /nfs/dbraw/zinc/52/81/24/355528124.db2.gz QPSDITKEQRVFKD-GFCCVEGCSA-N 1 2 272.308 0.317 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)nc1 ZINC000345414316 355820394 /nfs/dbraw/zinc/82/03/94/355820394.db2.gz NABSMHBTTNXMDI-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000348314988 355911830 /nfs/dbraw/zinc/91/18/30/355911830.db2.gz BRNYBZYXAHTDPD-VIFPVBQESA-N 1 2 286.295 0.431 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000336334119 283130400 /nfs/dbraw/zinc/13/04/00/283130400.db2.gz VELVZLXNFMIGIF-MRVPVSSYSA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000336334119 283130405 /nfs/dbraw/zinc/13/04/05/283130405.db2.gz VELVZLXNFMIGIF-MRVPVSSYSA-N 1 2 255.281 0.897 20 30 CCEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)NCCF ZINC000352910651 356109661 /nfs/dbraw/zinc/10/96/61/356109661.db2.gz YNJYICVORFPMQY-ZETCQYMHSA-N 1 2 256.306 0.579 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC(O)C1 ZINC000353484214 356234970 /nfs/dbraw/zinc/23/49/70/356234970.db2.gz IZRMXZQXLDVNNA-UHFFFAOYSA-N 1 2 294.376 0.787 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC(O)C1 ZINC000353484214 356234971 /nfs/dbraw/zinc/23/49/71/356234971.db2.gz IZRMXZQXLDVNNA-UHFFFAOYSA-N 1 2 294.376 0.787 20 30 CCEDLO CCOC(=O)c1cnn(CCn2cc[nH+]c2)c1C#N ZINC000273515144 192183445 /nfs/dbraw/zinc/18/34/45/192183445.db2.gz VQOCIISXOORMOI-UHFFFAOYSA-N 1 2 259.269 0.828 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000362051982 138043657 /nfs/dbraw/zinc/04/36/57/138043657.db2.gz IXJUXPBDLHHZSO-AWEZNQCLSA-N 1 2 273.336 0.895 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000362051982 138043658 /nfs/dbraw/zinc/04/36/58/138043658.db2.gz IXJUXPBDLHHZSO-AWEZNQCLSA-N 1 2 273.336 0.895 20 30 CCEDLO N#CCCCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000609143756 363473734 /nfs/dbraw/zinc/47/37/34/363473734.db2.gz JEROPZZYTONFAH-UHFFFAOYSA-N 1 2 285.351 0.984 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639133 412635143 /nfs/dbraw/zinc/63/51/43/412635143.db2.gz NSBCPFMRJPQHMU-UPJWGTAASA-N 1 2 290.429 0.980 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639133 412635145 /nfs/dbraw/zinc/63/51/45/412635145.db2.gz NSBCPFMRJPQHMU-UPJWGTAASA-N 1 2 290.429 0.980 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000619719788 366339865 /nfs/dbraw/zinc/33/98/65/366339865.db2.gz DLNNMBMNFFANBB-QWRGUYRKSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000619719788 366339874 /nfs/dbraw/zinc/33/98/74/366339874.db2.gz DLNNMBMNFFANBB-QWRGUYRKSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882597 366367196 /nfs/dbraw/zinc/36/71/96/366367196.db2.gz IABXEKYWVKYGNO-OAHLLOKOSA-N 1 2 282.384 0.494 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)n1C)[NH+]1CCOCC1 ZINC000448919107 236008893 /nfs/dbraw/zinc/00/88/93/236008893.db2.gz YBGLKUYETUUZSK-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC000294510613 199068066 /nfs/dbraw/zinc/06/80/66/199068066.db2.gz HNQPREWHZOFESW-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC000294510613 199068067 /nfs/dbraw/zinc/06/80/67/199068067.db2.gz HNQPREWHZOFESW-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)cc[nH+]1 ZINC000450601430 358256601 /nfs/dbraw/zinc/25/66/01/358256601.db2.gz PMXPMLKIJZVHBM-ABAIWWIYSA-N 1 2 285.351 0.983 20 30 CCEDLO Cn1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493041787 358304819 /nfs/dbraw/zinc/30/48/19/358304819.db2.gz ACDYZFYHMYJPDC-VBROQKIQSA-N 1 2 260.341 0.998 20 30 CCEDLO CCc1nnc(C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220503 358557307 /nfs/dbraw/zinc/55/73/07/358557307.db2.gz PQBMRNXJKAJCIW-CQSZACIVSA-N 1 2 275.356 0.921 20 30 CCEDLO Cc1nc(C)n(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000574044992 359022890 /nfs/dbraw/zinc/02/28/90/359022890.db2.gz LNYPUNCZHSXAQU-CQSZACIVSA-N 1 2 292.387 0.635 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000573666089 358988130 /nfs/dbraw/zinc/98/81/30/358988130.db2.gz UAEATAYRXHEDPQ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[C@H](CCC#N)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000573806857 359000846 /nfs/dbraw/zinc/00/08/46/359000846.db2.gz PUMZJUZXQLJBGS-LLVKDONJSA-N 1 2 252.362 0.560 20 30 CCEDLO Cc1onc(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000587057342 359299651 /nfs/dbraw/zinc/29/96/51/359299651.db2.gz URLOPNIOZYZJMK-JTQLQIEISA-N 1 2 285.307 0.725 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000587740099 359301920 /nfs/dbraw/zinc/30/19/20/359301920.db2.gz GUSYRKWJHLICGS-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000587740099 359301926 /nfs/dbraw/zinc/30/19/26/359301926.db2.gz GUSYRKWJHLICGS-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000588120550 359314048 /nfs/dbraw/zinc/31/40/48/359314048.db2.gz YAUATZUFIWAWKM-ONGXEEELSA-N 1 2 299.352 0.149 20 30 CCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000588120550 359314051 /nfs/dbraw/zinc/31/40/51/359314051.db2.gz YAUATZUFIWAWKM-ONGXEEELSA-N 1 2 299.352 0.149 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994436 363645120 /nfs/dbraw/zinc/64/51/20/363645120.db2.gz CQMYHANJKOCCLU-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994436 363645124 /nfs/dbraw/zinc/64/51/24/363645124.db2.gz CQMYHANJKOCCLU-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000610999502 363646927 /nfs/dbraw/zinc/64/69/27/363646927.db2.gz KXNRAYMKSYETQB-LBPRGKRZSA-N 1 2 276.340 0.834 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000589332691 359379303 /nfs/dbraw/zinc/37/93/03/359379303.db2.gz OAAUXQYIZUKTHX-VIFPVBQESA-N 1 2 285.311 0.116 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)c2c[nH+]ccc2N(C)C)c1C#N ZINC000588714895 359332472 /nfs/dbraw/zinc/33/24/72/359332472.db2.gz OBIQIEAMLMBGPT-UHFFFAOYSA-N 1 2 270.296 0.725 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000589521015 359388903 /nfs/dbraw/zinc/38/89/03/359388903.db2.gz CKYGRPUEORAYJJ-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO N#CC[C@@]1(O)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000591977064 359717715 /nfs/dbraw/zinc/71/77/15/359717715.db2.gz SINAILUKJBFFOE-CYBMUJFWSA-N 1 2 270.296 0.517 20 30 CCEDLO CC(C)c1nc(N2CC[C@](O)(CC#N)C2)nc(N(C)C)[nH+]1 ZINC000591974497 359716418 /nfs/dbraw/zinc/71/64/18/359716418.db2.gz JHWSPKFELGRNIB-CQSZACIVSA-N 1 2 290.371 0.916 20 30 CCEDLO CC(C)c1nc(N(C)C)nc(N2CC[C@](O)(CC#N)C2)[nH+]1 ZINC000591974497 359716421 /nfs/dbraw/zinc/71/64/21/359716421.db2.gz JHWSPKFELGRNIB-CQSZACIVSA-N 1 2 290.371 0.916 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000329291128 202268957 /nfs/dbraw/zinc/26/89/57/202268957.db2.gz QUDIQGKAHDSEAB-CHWSQXEVSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000329291128 202268961 /nfs/dbraw/zinc/26/89/61/202268961.db2.gz QUDIQGKAHDSEAB-CHWSQXEVSA-N 1 2 272.308 0.108 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151398 359770589 /nfs/dbraw/zinc/77/05/89/359770589.db2.gz OEHRHZDSRJNGFO-ZDUSSCGKSA-N 1 2 264.329 0.099 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151398 359770592 /nfs/dbraw/zinc/77/05/92/359770592.db2.gz OEHRHZDSRJNGFO-ZDUSSCGKSA-N 1 2 264.329 0.099 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000592140731 359764133 /nfs/dbraw/zinc/76/41/33/359764133.db2.gz PCGSBMWYBGFRIG-CYBMUJFWSA-N 1 2 299.396 0.206 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000592140731 359764136 /nfs/dbraw/zinc/76/41/36/359764136.db2.gz PCGSBMWYBGFRIG-CYBMUJFWSA-N 1 2 299.396 0.206 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)n(C)n1 ZINC000592146544 359766018 /nfs/dbraw/zinc/76/60/18/359766018.db2.gz JDRUSTJGZYWAPU-ZDUSSCGKSA-N 1 2 277.328 0.018 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)n(C)n1 ZINC000592146544 359766021 /nfs/dbraw/zinc/76/60/21/359766021.db2.gz JDRUSTJGZYWAPU-ZDUSSCGKSA-N 1 2 277.328 0.018 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000620609595 366545188 /nfs/dbraw/zinc/54/51/88/366545188.db2.gz CAQXYBPZUVUZBC-VIFPVBQESA-N 1 2 260.301 0.689 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611204878 363680832 /nfs/dbraw/zinc/68/08/32/363680832.db2.gz DZZVGFVAROMMIE-SWLSCSKDSA-N 1 2 296.415 0.839 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611204878 363680835 /nfs/dbraw/zinc/68/08/35/363680835.db2.gz DZZVGFVAROMMIE-SWLSCSKDSA-N 1 2 296.415 0.839 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@](F)(CO)C3)cnc12 ZINC000592510131 359866973 /nfs/dbraw/zinc/86/69/73/359866973.db2.gz WPGLEAAVKPDUPA-ZDUSSCGKSA-N 1 2 275.287 0.507 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@](F)(CO)C3)cnc12 ZINC000592510131 359866975 /nfs/dbraw/zinc/86/69/75/359866975.db2.gz WPGLEAAVKPDUPA-ZDUSSCGKSA-N 1 2 275.287 0.507 20 30 CCEDLO CN(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000611253094 363697661 /nfs/dbraw/zinc/69/76/61/363697661.db2.gz VHODOHATMPWLEW-UHFFFAOYSA-N 1 2 292.408 0.826 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297964348 200311004 /nfs/dbraw/zinc/31/10/04/200311004.db2.gz VPUFQGMOBJJDBM-UHFFFAOYSA-N 1 2 276.340 0.650 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000297996737 200315210 /nfs/dbraw/zinc/31/52/10/200315210.db2.gz YNHDEVGTOBXEQI-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO CO[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000593153374 360048136 /nfs/dbraw/zinc/04/81/36/360048136.db2.gz MRGKMXWQKIUFGH-SCZZXKLOSA-N 1 2 281.278 0.914 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOCC1CC1 ZINC000593154416 360048363 /nfs/dbraw/zinc/04/83/63/360048363.db2.gz NCUXCIGVQAYTGQ-CYBMUJFWSA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cnn2ccccc12 ZINC000593153458 360048780 /nfs/dbraw/zinc/04/87/80/360048780.db2.gz RYQWQISKGMYVEW-HNNXBMFYSA-N 1 2 285.351 0.837 20 30 CCEDLO CNC(=O)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154418 360048827 /nfs/dbraw/zinc/04/88/27/360048827.db2.gz NFPKAAQZNNTEOY-HNNXBMFYSA-N 1 2 288.351 0.620 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000593456367 360092148 /nfs/dbraw/zinc/09/21/48/360092148.db2.gz RXFDLEHPBAIDMV-SDDRHHMPSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593887608 360195002 /nfs/dbraw/zinc/19/50/02/360195002.db2.gz XFDMNZCCFXAXKV-OAHLLOKOSA-N 1 2 297.399 0.733 20 30 CCEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000594009411 360233405 /nfs/dbraw/zinc/23/34/05/360233405.db2.gz KWCKIZYWDGEZGL-MNOVXSKESA-N 1 2 280.372 0.394 20 30 CCEDLO Cn1cnnc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000594022560 360236927 /nfs/dbraw/zinc/23/69/27/360236927.db2.gz IPSDWPHDSBDTNN-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000594051982 360242791 /nfs/dbraw/zinc/24/27/91/360242791.db2.gz CFYALARTZVJFRP-UHFFFAOYSA-N 1 2 265.317 0.572 20 30 CCEDLO Cc1noc(C[N@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000594051982 360242793 /nfs/dbraw/zinc/24/27/93/360242793.db2.gz CFYALARTZVJFRP-UHFFFAOYSA-N 1 2 265.317 0.572 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)CC1 ZINC000594294552 360268800 /nfs/dbraw/zinc/26/88/00/360268800.db2.gz JUFOWNHWPYCCAW-LLVKDONJSA-N 1 2 261.329 0.256 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)CC1 ZINC000594294552 360268805 /nfs/dbraw/zinc/26/88/05/360268805.db2.gz JUFOWNHWPYCCAW-LLVKDONJSA-N 1 2 261.329 0.256 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000611432135 363717912 /nfs/dbraw/zinc/71/79/12/363717912.db2.gz OANODITYZZNKJL-CQSZACIVSA-N 1 2 278.400 0.775 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595298027 360487161 /nfs/dbraw/zinc/48/71/61/360487161.db2.gz NHAXPVLAANQECP-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595298027 360487167 /nfs/dbraw/zinc/48/71/67/360487167.db2.gz NHAXPVLAANQECP-NEPJUHHUSA-N 1 2 281.356 0.632 20 30 CCEDLO CCN([C@@H](C)C#N)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000595355717 360505813 /nfs/dbraw/zinc/50/58/13/360505813.db2.gz CIZFASKVGBBWGJ-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@@H](C)C#N ZINC000595813773 360665429 /nfs/dbraw/zinc/66/54/29/360665429.db2.gz OUGPXTOHTHRENJ-JTQLQIEISA-N 1 2 266.345 0.941 20 30 CCEDLO CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@@H](C)C#N ZINC000595813773 360665434 /nfs/dbraw/zinc/66/54/34/360665434.db2.gz OUGPXTOHTHRENJ-JTQLQIEISA-N 1 2 266.345 0.941 20 30 CCEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841114 360675957 /nfs/dbraw/zinc/67/59/57/360675957.db2.gz IAYQFBZLPHPXFG-CABZTGNLSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841114 360675959 /nfs/dbraw/zinc/67/59/59/360675959.db2.gz IAYQFBZLPHPXFG-CABZTGNLSA-N 1 2 250.302 0.162 20 30 CCEDLO CCc1nc(C#N)cc(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000596055637 360783150 /nfs/dbraw/zinc/78/31/50/360783150.db2.gz UFRHSENUSDTWQR-UHFFFAOYSA-N 1 2 289.383 0.855 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ncncc2C#N)[C@@H](C)CO1 ZINC000596426475 360890538 /nfs/dbraw/zinc/89/05/38/360890538.db2.gz AKDFWAJERBGNIT-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ncncc2C#N)[C@@H](C)CO1 ZINC000596426475 360890542 /nfs/dbraw/zinc/89/05/42/360890542.db2.gz AKDFWAJERBGNIT-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)NCC#N)C1 ZINC000596598897 360928061 /nfs/dbraw/zinc/92/80/61/360928061.db2.gz NRISWZHGXZYMNA-UHFFFAOYSA-N 1 2 261.329 0.434 20 30 CCEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)NCC#N)C1 ZINC000596598897 360928064 /nfs/dbraw/zinc/92/80/64/360928064.db2.gz NRISWZHGXZYMNA-UHFFFAOYSA-N 1 2 261.329 0.434 20 30 CCEDLO CC(C)(C#N)CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000597623871 361165577 /nfs/dbraw/zinc/16/55/77/361165577.db2.gz CTQPXHYPIFTQMH-LBPRGKRZSA-N 1 2 264.373 0.432 20 30 CCEDLO CC(C)(C#N)CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000597623871 361165580 /nfs/dbraw/zinc/16/55/80/361165580.db2.gz CTQPXHYPIFTQMH-LBPRGKRZSA-N 1 2 264.373 0.432 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000597748245 361232805 /nfs/dbraw/zinc/23/28/05/361232805.db2.gz XYMSEJZANGIYAT-QWHCGFSZSA-N 1 2 274.324 0.047 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000597748245 361232806 /nfs/dbraw/zinc/23/28/06/361232806.db2.gz XYMSEJZANGIYAT-QWHCGFSZSA-N 1 2 274.324 0.047 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCN(C)CC1 ZINC000597914590 361280717 /nfs/dbraw/zinc/28/07/17/361280717.db2.gz WOLQDRSBDWCKRG-KGLIPLIRSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844807 361265148 /nfs/dbraw/zinc/26/51/48/361265148.db2.gz CHZBXJRWOOGHAE-ZJUUUORDSA-N 1 2 264.329 0.756 20 30 CCEDLO COCC[N@@H+](CC(=O)OC)C[C@H](O)CC(C)(C)C#N ZINC000598593524 361453820 /nfs/dbraw/zinc/45/38/20/361453820.db2.gz UMCONUPATZDTGO-LLVKDONJSA-N 1 2 272.345 0.409 20 30 CCEDLO COCC[N@H+](CC(=O)OC)C[C@H](O)CC(C)(C)C#N ZINC000598593524 361453825 /nfs/dbraw/zinc/45/38/25/361453825.db2.gz UMCONUPATZDTGO-LLVKDONJSA-N 1 2 272.345 0.409 20 30 CCEDLO Cc1ccncc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598837558 361522767 /nfs/dbraw/zinc/52/27/67/361522767.db2.gz WSCVIYUEPOCJNI-CQSZACIVSA-N 1 2 260.341 0.893 20 30 CCEDLO COCCCOCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836587 361522842 /nfs/dbraw/zinc/52/28/42/361522842.db2.gz NPFFQCKFJMSTNM-CYBMUJFWSA-N 1 2 271.361 0.390 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1C(F)F ZINC000598836118 361523094 /nfs/dbraw/zinc/52/30/94/361523094.db2.gz AJYOQHLYRXYIMZ-NSHDSACASA-N 1 2 271.271 0.852 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000599159398 361591550 /nfs/dbraw/zinc/59/15/50/361591550.db2.gz BJVRRESWAUTKOS-NSHDSACASA-N 1 2 291.311 0.791 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000599159398 361591557 /nfs/dbraw/zinc/59/15/57/361591557.db2.gz BJVRRESWAUTKOS-NSHDSACASA-N 1 2 291.311 0.791 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)nc1 ZINC000599438583 361702056 /nfs/dbraw/zinc/70/20/56/361702056.db2.gz FIVXAFHCZGNONH-UHFFFAOYSA-N 1 2 282.351 0.994 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612697505 363994719 /nfs/dbraw/zinc/99/47/19/363994719.db2.gz WJNDFCMVDZAGPT-BXUZGUMPSA-N 1 2 290.367 0.854 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612697505 363994724 /nfs/dbraw/zinc/99/47/24/363994724.db2.gz WJNDFCMVDZAGPT-BXUZGUMPSA-N 1 2 290.367 0.854 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000613499988 364272253 /nfs/dbraw/zinc/27/22/53/364272253.db2.gz LINGNOOXDAQDJW-CQSZACIVSA-N 1 2 276.340 0.371 20 30 CCEDLO N#CCCn1ccc(=NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000614686486 364698638 /nfs/dbraw/zinc/69/86/38/364698638.db2.gz GMTUBPYJIJPORU-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000614719311 364709637 /nfs/dbraw/zinc/70/96/37/364709637.db2.gz WNEXXLRCLGWSQB-OBJOEFQTSA-N 1 2 268.357 0.245 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N1CCCC1 ZINC000615771891 365085484 /nfs/dbraw/zinc/08/54/84/365085484.db2.gz RRBOWFXTEMPBMI-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000615771891 365085490 /nfs/dbraw/zinc/08/54/90/365085490.db2.gz RRBOWFXTEMPBMI-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616505225 365346889 /nfs/dbraw/zinc/34/68/89/365346889.db2.gz JOQMNLYSKKIYPO-MNOVXSKESA-N 1 2 261.325 0.405 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616505225 365346898 /nfs/dbraw/zinc/34/68/98/365346898.db2.gz JOQMNLYSKKIYPO-MNOVXSKESA-N 1 2 261.325 0.405 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296362 367520441 /nfs/dbraw/zinc/52/04/41/367520441.db2.gz HOIJMTIYBCBRMS-OCCSQVGLSA-N 1 2 290.367 0.785 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000275922435 193163684 /nfs/dbraw/zinc/16/36/84/193163684.db2.gz ZQWSRECNFSQQNS-UHFFFAOYSA-N 1 2 290.367 0.311 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC000624619632 367931190 /nfs/dbraw/zinc/93/11/90/367931190.db2.gz HJXCSFDCPBKQAC-CYBMUJFWSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC000624619632 367931194 /nfs/dbraw/zinc/93/11/94/367931194.db2.gz HJXCSFDCPBKQAC-CYBMUJFWSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000624674914 367949875 /nfs/dbraw/zinc/94/98/75/367949875.db2.gz OZYQXWOEMJSXIY-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000624674914 367949881 /nfs/dbraw/zinc/94/98/81/367949881.db2.gz OZYQXWOEMJSXIY-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(OC)n2)C1=O ZINC000625388051 368177503 /nfs/dbraw/zinc/17/75/03/368177503.db2.gz BALFQPACGICNMC-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(OC)n2)C1=O ZINC000625388051 368177505 /nfs/dbraw/zinc/17/75/05/368177505.db2.gz BALFQPACGICNMC-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COC[C@H]1CCCO1 ZINC000574257001 335004485 /nfs/dbraw/zinc/00/44/85/335004485.db2.gz UARSNDJBZXMWDS-UONOGXRCSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)COC[C@H]1CCCO1 ZINC000574257001 335004486 /nfs/dbraw/zinc/00/44/86/335004486.db2.gz UARSNDJBZXMWDS-UONOGXRCSA-N 1 2 268.357 0.945 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330641658 203069796 /nfs/dbraw/zinc/06/97/96/203069796.db2.gz IWYQKICOSPUIIS-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330641658 203069800 /nfs/dbraw/zinc/06/98/00/203069800.db2.gz IWYQKICOSPUIIS-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914959 369452691 /nfs/dbraw/zinc/45/26/91/369452691.db2.gz RZXIZRKTXVQZGN-TUAOUCFPSA-N 1 2 254.330 0.024 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914959 369452694 /nfs/dbraw/zinc/45/26/94/369452694.db2.gz RZXIZRKTXVQZGN-TUAOUCFPSA-N 1 2 254.330 0.024 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921020 369465160 /nfs/dbraw/zinc/46/51/60/369465160.db2.gz ZYWAKHCDOIVXCK-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CCOc1cccnc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921020 369465162 /nfs/dbraw/zinc/46/51/62/369465162.db2.gz ZYWAKHCDOIVXCK-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000631558235 370590985 /nfs/dbraw/zinc/59/09/85/370590985.db2.gz JYDSPHOXJUODOV-UHFFFAOYSA-N 1 2 279.384 0.751 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632346856 370998121 /nfs/dbraw/zinc/99/81/21/370998121.db2.gz HKSLJBAAURMXHW-UHFFFAOYSA-N 1 2 264.329 0.793 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355334 371002671 /nfs/dbraw/zinc/00/26/71/371002671.db2.gz DXAZSPAEXOIVMU-UHFFFAOYSA-N 1 2 288.413 0.546 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293819 373530076 /nfs/dbraw/zinc/53/00/76/373530076.db2.gz RITBQTPBOKYXOT-MRXNPFEDSA-N 1 2 289.379 0.705 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCCCC2)nn1 ZINC000640808768 376555290 /nfs/dbraw/zinc/55/52/90/376555290.db2.gz VIZPMXVMATWSHI-CYBMUJFWSA-N 1 2 289.383 0.965 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCC(C)C)nn1 ZINC000640885160 376597812 /nfs/dbraw/zinc/59/78/12/376597812.db2.gz HABQIIOGQFFGCG-LBPRGKRZSA-N 1 2 277.372 0.724 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2cccn2C)nn1 ZINC000640845200 376571562 /nfs/dbraw/zinc/57/15/62/376571562.db2.gz PUODJYUVAPKPAW-UHFFFAOYSA-N 1 2 271.324 0.612 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(CC)no2)nn1 ZINC000640933862 376623036 /nfs/dbraw/zinc/62/30/36/376623036.db2.gz OHRKIUKBKFTLLO-JTQLQIEISA-N 1 2 274.328 0.946 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C(C)C)o2)nn1 ZINC000641037517 376697706 /nfs/dbraw/zinc/69/77/06/376697706.db2.gz WYWGFNCFXXUQKQ-UHFFFAOYSA-N 1 2 274.328 0.946 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000641083895 376753354 /nfs/dbraw/zinc/75/33/54/376753354.db2.gz FAFFRCNARLEZMB-ZDUSSCGKSA-N 1 2 266.345 0.262 20 30 CCEDLO C=CCN1CC[C@@H](n2cc(C[N@@H+](C)CCOC)nn2)C1=O ZINC000641110035 376791255 /nfs/dbraw/zinc/79/12/55/376791255.db2.gz XVQPSDUITNJIEG-CYBMUJFWSA-N 1 2 293.371 0.316 20 30 CCEDLO C=CCN1CC[C@@H](n2cc(C[N@H+](C)CCOC)nn2)C1=O ZINC000641110035 376791263 /nfs/dbraw/zinc/79/12/63/376791263.db2.gz XVQPSDUITNJIEG-CYBMUJFWSA-N 1 2 293.371 0.316 20 30 CCEDLO CCC[N@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000430140665 249020213 /nfs/dbraw/zinc/02/02/13/249020213.db2.gz UVIHSZPSVQQWNV-UHFFFAOYSA-N 1 2 271.324 0.903 20 30 CCEDLO CCC[N@@H+](CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000430140665 249020215 /nfs/dbraw/zinc/02/02/15/249020215.db2.gz UVIHSZPSVQQWNV-UHFFFAOYSA-N 1 2 271.324 0.903 20 30 CCEDLO Cc1cc(C#N)nc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000281104754 291675425 /nfs/dbraw/zinc/67/54/25/291675425.db2.gz FQTFZSTZHSDYPR-CQSZACIVSA-N 1 2 287.367 0.958 20 30 CCEDLO C[C@H](Nc1ncncc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000514724438 249101174 /nfs/dbraw/zinc/10/11/74/249101174.db2.gz KZHHLXHLSXBUBY-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO N#Cc1cccnc1-n1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000516943988 249192196 /nfs/dbraw/zinc/19/21/96/249192196.db2.gz XYMJBUBPZJGSEE-UHFFFAOYSA-N 1 2 293.290 0.974 20 30 CCEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NCCC#N ZINC000733796231 581525650 /nfs/dbraw/zinc/52/56/50/581525650.db2.gz AJBXRUURYSQDAM-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NCCC#N ZINC000733796231 581525653 /nfs/dbraw/zinc/52/56/53/581525653.db2.gz AJBXRUURYSQDAM-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)nn1 ZINC000657362480 412975401 /nfs/dbraw/zinc/97/54/01/412975401.db2.gz WIMAXERUYTYPNO-CYBMUJFWSA-N 1 2 277.372 0.953 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn1 ZINC000657448098 412993135 /nfs/dbraw/zinc/99/31/35/412993135.db2.gz SLRMZCBKIQURRW-JTQLQIEISA-N 1 2 251.334 0.421 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)NCCF)nn1 ZINC000657458610 412995424 /nfs/dbraw/zinc/99/54/24/412995424.db2.gz GIHQKYDNTUOMEX-SNVBAGLBSA-N 1 2 269.324 0.418 20 30 CCEDLO C#CC[N@@H+](CCOCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000252499990 533134340 /nfs/dbraw/zinc/13/43/40/533134340.db2.gz SLHBQDPTQJBONU-ZDUSSCGKSA-N 1 2 273.398 0.781 20 30 CCEDLO C#CC[N@H+](CCOCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000252499990 533134344 /nfs/dbraw/zinc/13/43/44/533134344.db2.gz SLHBQDPTQJBONU-ZDUSSCGKSA-N 1 2 273.398 0.781 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)NC(C)C)nn1 ZINC000657496231 413006817 /nfs/dbraw/zinc/00/68/17/413006817.db2.gz NICQZIZSRWBDPG-NSHDSACASA-N 1 2 265.361 0.857 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000116940505 260008710 /nfs/dbraw/zinc/00/87/10/260008710.db2.gz BWRAECCLUZRHEP-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184588006 388775827 /nfs/dbraw/zinc/77/58/27/388775827.db2.gz WJLHRQZOEXQWDO-GHMZBOCLSA-N 1 2 295.339 0.957 20 30 CCEDLO C#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000289271021 388868493 /nfs/dbraw/zinc/86/84/93/388868493.db2.gz FCVCQYXMZVSPQX-KGLIPLIRSA-N 1 2 259.305 0.776 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000289271021 388868496 /nfs/dbraw/zinc/86/84/96/388868496.db2.gz FCVCQYXMZVSPQX-KGLIPLIRSA-N 1 2 259.305 0.776 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906332 388934466 /nfs/dbraw/zinc/93/44/66/388934466.db2.gz LQAMQNWHCGYBOV-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000068334172 388948910 /nfs/dbraw/zinc/94/89/10/388948910.db2.gz RXZKKCBMHMLTOU-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000068334172 388948913 /nfs/dbraw/zinc/94/89/13/388948913.db2.gz RXZKKCBMHMLTOU-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000192221295 389027676 /nfs/dbraw/zinc/02/76/76/389027676.db2.gz IGKJJZXQOVKIHD-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000192221295 389027680 /nfs/dbraw/zinc/02/76/80/389027680.db2.gz IGKJJZXQOVKIHD-UHFFFAOYSA-N 1 2 260.293 0.977 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000192012733 389023061 /nfs/dbraw/zinc/02/30/61/389023061.db2.gz IEETVEWBJWZFSM-UHFFFAOYSA-N 1 2 280.368 0.887 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000192012733 389023063 /nfs/dbraw/zinc/02/30/63/389023063.db2.gz IEETVEWBJWZFSM-UHFFFAOYSA-N 1 2 280.368 0.887 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)C(=O)[C@@H]2CC)C1=O ZINC000337208143 389056284 /nfs/dbraw/zinc/05/62/84/389056284.db2.gz PZDIWJHLDFAFKF-QWHCGFSZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)C(=O)[C@@H]2CC)C1=O ZINC000337208143 389056289 /nfs/dbraw/zinc/05/62/89/389056289.db2.gz PZDIWJHLDFAFKF-QWHCGFSZSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC2CCC2)C1=O ZINC000337238927 389058405 /nfs/dbraw/zinc/05/84/05/389058405.db2.gz ZNIRESMLCGRTCH-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC2CCC2)C1=O ZINC000337238927 389058408 /nfs/dbraw/zinc/05/84/08/389058408.db2.gz ZNIRESMLCGRTCH-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337536754 389063369 /nfs/dbraw/zinc/06/33/69/389063369.db2.gz YKIRYTUACAMGFF-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337536754 389063370 /nfs/dbraw/zinc/06/33/70/389063370.db2.gz YKIRYTUACAMGFF-RYUDHWBXSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000337901470 389070730 /nfs/dbraw/zinc/07/07/30/389070730.db2.gz QQYXDGFMUBTTSZ-UHFFFAOYSA-N 1 2 275.352 0.928 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000106328895 389091365 /nfs/dbraw/zinc/09/13/65/389091365.db2.gz DUROGIMPUDEFMA-GFCCVEGCSA-N 1 2 285.307 0.768 20 30 CCEDLO COc1c(C[NH+]2CCN(CC#N)CC2)c(C)nn1C ZINC000092936351 389033526 /nfs/dbraw/zinc/03/35/26/389033526.db2.gz HZFWVRJFIVVABX-UHFFFAOYSA-N 1 2 263.345 0.378 20 30 CCEDLO C=CC[N@H+](CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000108871217 389098717 /nfs/dbraw/zinc/09/87/17/389098717.db2.gz UQOKIXSSSCPVRG-LBPRGKRZSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CC[N@@H+](CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000108871217 389098718 /nfs/dbraw/zinc/09/87/18/389098718.db2.gz UQOKIXSSSCPVRG-LBPRGKRZSA-N 1 2 286.397 0.284 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587654 389113012 /nfs/dbraw/zinc/11/30/12/389113012.db2.gz KTRCGOPXYADHGF-PWSUYJOCSA-N 1 2 269.320 0.344 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587654 389113013 /nfs/dbraw/zinc/11/30/13/389113013.db2.gz KTRCGOPXYADHGF-PWSUYJOCSA-N 1 2 269.320 0.344 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000358316978 389148596 /nfs/dbraw/zinc/14/85/96/389148596.db2.gz JJSXJVHRMUTINK-QWRGUYRKSA-N 1 2 263.301 0.206 20 30 CCEDLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCOCCC#N)CCO2)n1 ZINC000338975138 389120650 /nfs/dbraw/zinc/12/06/50/389120650.db2.gz WNSDALFJFOPUFZ-AWEZNQCLSA-N 1 2 293.371 0.526 20 30 CCEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCOCCC#N)CCO2)n1 ZINC000338975138 389120651 /nfs/dbraw/zinc/12/06/51/389120651.db2.gz WNSDALFJFOPUFZ-AWEZNQCLSA-N 1 2 293.371 0.526 20 30 CCEDLO C=C(C)CN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339342330 389130668 /nfs/dbraw/zinc/13/06/68/389130668.db2.gz HKVQPPZQEYMZJB-GFCCVEGCSA-N 1 2 264.329 0.491 20 30 CCEDLO C=C(C)CN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339342330 389130670 /nfs/dbraw/zinc/13/06/70/389130670.db2.gz HKVQPPZQEYMZJB-GFCCVEGCSA-N 1 2 264.329 0.491 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)OCC ZINC000339372244 389130856 /nfs/dbraw/zinc/13/08/56/389130856.db2.gz XUGIOFJQJGMHEJ-ZIAGYGMSSA-N 1 2 283.416 0.720 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)OCC ZINC000339372244 389130857 /nfs/dbraw/zinc/13/08/57/389130857.db2.gz XUGIOFJQJGMHEJ-ZIAGYGMSSA-N 1 2 283.416 0.720 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)CCSCC2)C1 ZINC000339490429 389134530 /nfs/dbraw/zinc/13/45/30/389134530.db2.gz WAANXYJNQCMTME-SNVBAGLBSA-N 1 2 269.370 0.223 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(C#N)CCSCC2)C1 ZINC000339490429 389134532 /nfs/dbraw/zinc/13/45/32/389134532.db2.gz WAANXYJNQCMTME-SNVBAGLBSA-N 1 2 269.370 0.223 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339629199 389136765 /nfs/dbraw/zinc/13/67/65/389136765.db2.gz RBMNBEMMHXNGRC-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO CC#CCN(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339757397 389138447 /nfs/dbraw/zinc/13/84/47/389138447.db2.gz QQLGAJYVAZRNRB-UHFFFAOYSA-N 1 2 281.400 0.169 20 30 CCEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NCC#N ZINC000359882673 389185309 /nfs/dbraw/zinc/18/53/09/389185309.db2.gz YKTKXGKWIDQPFM-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NCC#N ZINC000359882673 389185311 /nfs/dbraw/zinc/18/53/11/389185311.db2.gz YKTKXGKWIDQPFM-NSHDSACASA-N 1 2 259.309 0.909 20 30 CCEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000329849739 389205734 /nfs/dbraw/zinc/20/57/34/389205734.db2.gz RYZBKSWPTMCYDJ-NSHDSACASA-N 1 2 264.329 0.692 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329745259 389195607 /nfs/dbraw/zinc/19/56/07/389195607.db2.gz RDCIRLJBFMAQHA-RNCFNFMXSA-N 1 2 264.329 0.950 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329745259 389195612 /nfs/dbraw/zinc/19/56/12/389195612.db2.gz RDCIRLJBFMAQHA-RNCFNFMXSA-N 1 2 264.329 0.950 20 30 CCEDLO N#C[C@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCOC1 ZINC000358440861 389150740 /nfs/dbraw/zinc/15/07/40/389150740.db2.gz KRXMYHQCISKTHA-CQSZACIVSA-N 1 2 270.292 0.676 20 30 CCEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CC)CCC#N)C1 ZINC000130392061 389204251 /nfs/dbraw/zinc/20/42/51/389204251.db2.gz MKZOFQVZTPZJOB-ZDUSSCGKSA-N 1 2 294.399 0.739 20 30 CCEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CC)CCC#N)C1 ZINC000130392061 389204254 /nfs/dbraw/zinc/20/42/54/389204254.db2.gz MKZOFQVZTPZJOB-ZDUSSCGKSA-N 1 2 294.399 0.739 20 30 CCEDLO CC[NH+]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329400907 389162230 /nfs/dbraw/zinc/16/22/30/389162230.db2.gz VYZRPHRXFAHLJU-LLVKDONJSA-N 1 2 289.401 0.115 20 30 CCEDLO Nc1ncncc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329434334 389163391 /nfs/dbraw/zinc/16/33/91/389163391.db2.gz IMRLRRVOGUNLTM-UHFFFAOYSA-N 1 2 291.355 0.601 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000329536390 389169744 /nfs/dbraw/zinc/16/97/44/389169744.db2.gz BDAHXMATYMOYLM-SCZZXKLOSA-N 1 2 265.317 0.789 20 30 CCEDLO Cc1noc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329614659 389176396 /nfs/dbraw/zinc/17/63/96/389176396.db2.gz PHXULRSQNHVMER-DVVUODLYSA-N 1 2 295.343 0.368 20 30 CCEDLO Cc1noc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329614659 389176398 /nfs/dbraw/zinc/17/63/98/389176398.db2.gz PHXULRSQNHVMER-DVVUODLYSA-N 1 2 295.343 0.368 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnc[nH]2)C1 ZINC000330604629 389245836 /nfs/dbraw/zinc/24/58/36/389245836.db2.gz LMBZLZMUJWSMIY-SNVBAGLBSA-N 1 2 280.328 0.599 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnc[nH]2)C1 ZINC000330604629 389245837 /nfs/dbraw/zinc/24/58/37/389245837.db2.gz LMBZLZMUJWSMIY-SNVBAGLBSA-N 1 2 280.328 0.599 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248488527 389246279 /nfs/dbraw/zinc/24/62/79/389246279.db2.gz MKINEGCVGZTSQX-UYSIFFEZSA-N 1 2 287.429 0.693 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248488527 389246282 /nfs/dbraw/zinc/24/62/82/389246282.db2.gz MKINEGCVGZTSQX-UYSIFFEZSA-N 1 2 287.429 0.693 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134587664 389246883 /nfs/dbraw/zinc/24/68/83/389246883.db2.gz DDQCDJCOOLEVKE-UHFFFAOYSA-N 1 2 292.383 0.303 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134587664 389246888 /nfs/dbraw/zinc/24/68/88/389246888.db2.gz DDQCDJCOOLEVKE-UHFFFAOYSA-N 1 2 292.383 0.303 20 30 CCEDLO C=CC1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000330686240 389252502 /nfs/dbraw/zinc/25/25/02/389252502.db2.gz ASTFWZDVSLSABV-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000330686240 389252505 /nfs/dbraw/zinc/25/25/05/389252505.db2.gz ASTFWZDVSLSABV-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCOCC1 ZINC000343039328 389256758 /nfs/dbraw/zinc/25/67/58/389256758.db2.gz GTPDKPOBEXVOOB-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1csc(=O)[nH]1 ZINC000329892946 389209735 /nfs/dbraw/zinc/20/97/35/389209735.db2.gz AOBKHIMKQYQKBG-MRVPVSSYSA-N 1 2 271.342 0.874 20 30 CCEDLO N#CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132391192 389223992 /nfs/dbraw/zinc/22/39/92/389223992.db2.gz ZHFRYQNUTKTVJQ-CYBMUJFWSA-N 1 2 259.309 0.527 20 30 CCEDLO N#CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132391192 389223995 /nfs/dbraw/zinc/22/39/95/389223995.db2.gz ZHFRYQNUTKTVJQ-CYBMUJFWSA-N 1 2 259.309 0.527 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000330434935 389228760 /nfs/dbraw/zinc/22/87/60/389228760.db2.gz QGNHPJKTJYXUPR-LLVKDONJSA-N 1 2 284.360 0.027 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000330434935 389228762 /nfs/dbraw/zinc/22/87/62/389228762.db2.gz QGNHPJKTJYXUPR-LLVKDONJSA-N 1 2 284.360 0.027 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246726840 389231265 /nfs/dbraw/zinc/23/12/65/389231265.db2.gz AJGNOEJPLHKKCG-KGLIPLIRSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246726840 389231268 /nfs/dbraw/zinc/23/12/68/389231268.db2.gz AJGNOEJPLHKKCG-KGLIPLIRSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133433199 389235041 /nfs/dbraw/zinc/23/50/41/389235041.db2.gz UZJKQVJHTBJOOY-STQMWFEESA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133433199 389235042 /nfs/dbraw/zinc/23/50/42/389235042.db2.gz UZJKQVJHTBJOOY-STQMWFEESA-N 1 2 292.383 0.492 20 30 CCEDLO CNC(=O)NCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330498374 389235558 /nfs/dbraw/zinc/23/55/58/389235558.db2.gz AURGCJATLHCYNR-SECBINFHSA-N 1 2 265.317 0.597 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC000264164221 389309841 /nfs/dbraw/zinc/30/98/41/389309841.db2.gz KUFVQRUDHIEYDM-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC000264164221 389309844 /nfs/dbraw/zinc/30/98/44/389309844.db2.gz KUFVQRUDHIEYDM-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NCCCC#N)[NH+]1CCOCC1 ZINC000343764145 389272196 /nfs/dbraw/zinc/27/21/96/389272196.db2.gz UXLBLKCMZVBJKU-NWDGAFQWSA-N 1 2 268.361 0.699 20 30 CCEDLO CC(C)(C)[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000343890441 389274762 /nfs/dbraw/zinc/27/47/62/389274762.db2.gz YHYLKISEVXDCII-CQSZACIVSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)(C)[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000343890441 389274765 /nfs/dbraw/zinc/27/47/65/389274765.db2.gz YHYLKISEVXDCII-CQSZACIVSA-N 1 2 283.416 0.941 20 30 CCEDLO CC(C)(C)[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000343890441 389274766 /nfs/dbraw/zinc/27/47/66/389274766.db2.gz YHYLKISEVXDCII-CQSZACIVSA-N 1 2 283.416 0.941 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266857006 389367960 /nfs/dbraw/zinc/36/79/60/389367960.db2.gz HPXFRMADJYZPPH-WPRPVWTQSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266857006 389367964 /nfs/dbraw/zinc/36/79/64/389367964.db2.gz HPXFRMADJYZPPH-WPRPVWTQSA-N 1 2 266.263 0.676 20 30 CCEDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC#Cc1ccccc1 ZINC000348435854 389376904 /nfs/dbraw/zinc/37/69/04/389376904.db2.gz JZXCXPLUADILGW-AWEZNQCLSA-N 1 2 294.314 0.924 20 30 CCEDLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC#Cc1ccccc1 ZINC000348435854 389376907 /nfs/dbraw/zinc/37/69/07/389376907.db2.gz JZXCXPLUADILGW-AWEZNQCLSA-N 1 2 294.314 0.924 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000348553174 389382579 /nfs/dbraw/zinc/38/25/79/389382579.db2.gz NYRFEWQUXASYBF-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000348553174 389382582 /nfs/dbraw/zinc/38/25/82/389382582.db2.gz NYRFEWQUXASYBF-NWDGAFQWSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349248989 389408519 /nfs/dbraw/zinc/40/85/19/389408519.db2.gz WHUMBSJBDKIDBE-QMMMGPOBSA-N 1 2 252.274 0.337 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347182712 389348389 /nfs/dbraw/zinc/34/83/89/389348389.db2.gz AGNGLJMKESATFY-GHMZBOCLSA-N 1 2 254.330 0.925 20 30 CCEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(C)(C)C#N ZINC000347182712 389348391 /nfs/dbraw/zinc/34/83/91/389348391.db2.gz AGNGLJMKESATFY-GHMZBOCLSA-N 1 2 254.330 0.925 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nncn1C ZINC000274114279 389485791 /nfs/dbraw/zinc/48/57/91/389485791.db2.gz WDTCGXDGXFCDAB-LLVKDONJSA-N 1 2 263.345 0.666 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1ncc(C2CC2)o1 ZINC000270439280 389431994 /nfs/dbraw/zinc/43/19/94/389431994.db2.gz IPCCRJCJWNJCCB-UHFFFAOYSA-N 1 2 280.328 0.673 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)C1CC1 ZINC000274240043 389503055 /nfs/dbraw/zinc/50/30/55/389503055.db2.gz XSCYWKDYWRFFMQ-UHFFFAOYSA-N 1 2 293.367 0.385 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)C1CC1 ZINC000274240043 389503056 /nfs/dbraw/zinc/50/30/56/389503056.db2.gz XSCYWKDYWRFFMQ-UHFFFAOYSA-N 1 2 293.367 0.385 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)C(F)(F)F)C1=O ZINC000281138582 389608991 /nfs/dbraw/zinc/60/89/91/389608991.db2.gz AIPWATWASYZOPR-RKDXNWHRSA-N 1 2 266.263 0.628 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)C(F)(F)F)C1=O ZINC000281138582 389608995 /nfs/dbraw/zinc/60/89/95/389608995.db2.gz AIPWATWASYZOPR-RKDXNWHRSA-N 1 2 266.263 0.628 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)C)C1=O ZINC000281183988 389609876 /nfs/dbraw/zinc/60/98/76/389609876.db2.gz BAZWQURDLJKCCG-GHMZBOCLSA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C)C1=O ZINC000281183988 389609880 /nfs/dbraw/zinc/60/98/80/389609880.db2.gz BAZWQURDLJKCCG-GHMZBOCLSA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@H]([NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281245541 389612219 /nfs/dbraw/zinc/61/22/19/389612219.db2.gz GKGJJZXFCLOWFG-STQMWFEESA-N 1 2 277.368 0.492 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@@H]2C(C)C)C1=O ZINC000281927888 389635866 /nfs/dbraw/zinc/63/58/66/389635866.db2.gz HUBOBNONGVDBFG-RYUDHWBXSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@@H]2C(C)C)C1=O ZINC000281927888 389635870 /nfs/dbraw/zinc/63/58/70/389635870.db2.gz HUBOBNONGVDBFG-RYUDHWBXSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000281971024 389641030 /nfs/dbraw/zinc/64/10/30/389641030.db2.gz LCFRAKRKDJLOLO-ZIAGYGMSSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000281971024 389641031 /nfs/dbraw/zinc/64/10/31/389641031.db2.gz LCFRAKRKDJLOLO-ZIAGYGMSSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425291144 389644054 /nfs/dbraw/zinc/64/40/54/389644054.db2.gz IDIMCSQXYLZTMJ-GFCCVEGCSA-N 1 2 270.373 0.398 20 30 CCEDLO CCCC[C@H]1NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414133573 389602080 /nfs/dbraw/zinc/60/20/80/389602080.db2.gz NGJQOGYQAZTKKP-VXGBXAGGSA-N 1 2 296.371 0.303 20 30 CCEDLO CCCC[C@H]1NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414133573 389602082 /nfs/dbraw/zinc/60/20/82/389602082.db2.gz NGJQOGYQAZTKKP-VXGBXAGGSA-N 1 2 296.371 0.303 20 30 CCEDLO N#Cc1ncn(CC(=O)NCc2cn3ccccc3[nH+]2)n1 ZINC000351717869 389665716 /nfs/dbraw/zinc/66/57/16/389665716.db2.gz HIBMDDAAMCXTJN-UHFFFAOYSA-N 1 2 281.279 0.114 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000180378832 389670304 /nfs/dbraw/zinc/67/03/04/389670304.db2.gz HNVREWBAULIHRX-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000351804354 389686666 /nfs/dbraw/zinc/68/66/66/389686666.db2.gz AFIVEKJMBWGPEK-FZMZJTMJSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000351804354 389686668 /nfs/dbraw/zinc/68/66/68/389686668.db2.gz AFIVEKJMBWGPEK-FZMZJTMJSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000351821033 389690434 /nfs/dbraw/zinc/69/04/34/389690434.db2.gz QHZMLEPALMBENQ-BXUZGUMPSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000351821033 389690437 /nfs/dbraw/zinc/69/04/37/389690437.db2.gz QHZMLEPALMBENQ-BXUZGUMPSA-N 1 2 294.376 0.645 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000429150076 389740901 /nfs/dbraw/zinc/74/09/01/389740901.db2.gz JLHFAKFMDRUZBZ-UHFFFAOYSA-N 1 2 280.372 0.526 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000429150076 389740903 /nfs/dbraw/zinc/74/09/03/389740903.db2.gz JLHFAKFMDRUZBZ-UHFFFAOYSA-N 1 2 280.372 0.526 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352466888 389815423 /nfs/dbraw/zinc/81/54/23/389815423.db2.gz HHSUPTMOWPWWFJ-UHFFFAOYSA-N 1 2 268.292 0.326 20 30 CCEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)n(C)n1 ZINC000417700847 389843182 /nfs/dbraw/zinc/84/31/82/389843182.db2.gz MVWDKLGDYSJTRM-UHFFFAOYSA-N 1 2 291.399 0.776 20 30 CCEDLO CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)[nH]1 ZINC000527556793 285349754 /nfs/dbraw/zinc/34/97/54/285349754.db2.gz QHPDTQCYBIGYJY-JQWIXIFHSA-N 1 2 291.355 0.415 20 30 CCEDLO CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)[nH]1 ZINC000527556793 285349757 /nfs/dbraw/zinc/34/97/57/285349757.db2.gz QHPDTQCYBIGYJY-JQWIXIFHSA-N 1 2 291.355 0.415 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000443792999 389884594 /nfs/dbraw/zinc/88/45/94/389884594.db2.gz WDQWICYPOMNMMX-NSHDSACASA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000443792999 389884596 /nfs/dbraw/zinc/88/45/96/389884596.db2.gz WDQWICYPOMNMMX-NSHDSACASA-N 1 2 285.394 0.873 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC(C)(C)C#N ZINC000433296484 389907746 /nfs/dbraw/zinc/90/77/46/389907746.db2.gz SNRMAADWINBXKV-VXGBXAGGSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433296484 389907748 /nfs/dbraw/zinc/90/77/48/389907748.db2.gz SNRMAADWINBXKV-VXGBXAGGSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(C)(C)C#N ZINC000433318672 389908815 /nfs/dbraw/zinc/90/88/15/389908815.db2.gz OZLSCNOWNZYHHW-NSHDSACASA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433318672 389908817 /nfs/dbraw/zinc/90/88/17/389908817.db2.gz OZLSCNOWNZYHHW-NSHDSACASA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447658692 389962074 /nfs/dbraw/zinc/96/20/74/389962074.db2.gz IXMCALOIMUCXIF-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447658692 389962075 /nfs/dbraw/zinc/96/20/75/389962075.db2.gz IXMCALOIMUCXIF-NSHDSACASA-N 1 2 253.346 0.715 20 30 CCEDLO CC1(C)CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@H]1C#N ZINC000444724762 389915939 /nfs/dbraw/zinc/91/59/39/389915939.db2.gz LEWVEJILUJHJHT-KGLIPLIRSA-N 1 2 281.400 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793931 389919305 /nfs/dbraw/zinc/91/93/05/389919305.db2.gz QLBZIKDWHMADSO-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793931 389919306 /nfs/dbraw/zinc/91/93/06/389919306.db2.gz QLBZIKDWHMADSO-NSHDSACASA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434710623 389944099 /nfs/dbraw/zinc/94/40/99/389944099.db2.gz YRVNTDBDBUDSSY-UHFFFAOYSA-N 1 2 269.389 0.331 20 30 CCEDLO C=CCNC(=O)CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434710623 389944100 /nfs/dbraw/zinc/94/41/00/389944100.db2.gz YRVNTDBDBUDSSY-UHFFFAOYSA-N 1 2 269.389 0.331 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)s1 ZINC000437345207 389993589 /nfs/dbraw/zinc/99/35/89/389993589.db2.gz OXVVDJJLKNJPGO-JTQLQIEISA-N 1 2 276.365 0.349 20 30 CCEDLO CC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1[nH]cc[nH+]1 ZINC000439652376 390025219 /nfs/dbraw/zinc/02/52/19/390025219.db2.gz WTFFYQYNDAAJKT-SECBINFHSA-N 1 2 288.311 0.242 20 30 CCEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000491203314 390110426 /nfs/dbraw/zinc/11/04/26/390110426.db2.gz VALPHPYQLOAQHZ-PCAWENJQSA-N 1 2 293.348 0.072 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491382199 390112768 /nfs/dbraw/zinc/11/27/68/390112768.db2.gz HWDBTZHLJCJMNL-CHWSQXEVSA-N 1 2 271.382 0.534 20 30 CCEDLO C#CC[N@H+](C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491382199 390112769 /nfs/dbraw/zinc/11/27/69/390112769.db2.gz HWDBTZHLJCJMNL-CHWSQXEVSA-N 1 2 271.382 0.534 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491676514 390115718 /nfs/dbraw/zinc/11/57/18/390115718.db2.gz OENQEUWZOATXKG-SECBINFHSA-N 1 2 251.355 0.885 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491676514 390115719 /nfs/dbraw/zinc/11/57/19/390115719.db2.gz OENQEUWZOATXKG-SECBINFHSA-N 1 2 251.355 0.885 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583935000 390325689 /nfs/dbraw/zinc/32/56/89/390325689.db2.gz IHXVSWGQUQVBHY-LBPRGKRZSA-N 1 2 299.338 0.104 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583935000 390325693 /nfs/dbraw/zinc/32/56/93/390325693.db2.gz IHXVSWGQUQVBHY-LBPRGKRZSA-N 1 2 299.338 0.104 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000645453834 390429543 /nfs/dbraw/zinc/42/95/43/390429543.db2.gz SXJFRSBHWGDBOU-NEPJUHHUSA-N 1 2 276.340 0.271 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C#N)CCO1 ZINC000562366883 390488402 /nfs/dbraw/zinc/48/84/02/390488402.db2.gz PIZHQDMKSJZDKU-NWDGAFQWSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C#N)CCO1 ZINC000562366883 390488406 /nfs/dbraw/zinc/48/84/06/390488406.db2.gz PIZHQDMKSJZDKU-NWDGAFQWSA-N 1 2 268.361 0.556 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCC1 ZINC000561844121 390487777 /nfs/dbraw/zinc/48/77/77/390487777.db2.gz CNOCZSPBMQSYGF-NWDGAFQWSA-N 1 2 263.341 0.802 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCC1 ZINC000561844121 390487781 /nfs/dbraw/zinc/48/77/81/390487781.db2.gz CNOCZSPBMQSYGF-NWDGAFQWSA-N 1 2 263.341 0.802 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033671 390577843 /nfs/dbraw/zinc/57/78/43/390577843.db2.gz NXMLSMUBJKXOBF-LBPRGKRZSA-N 1 2 259.371 0.842 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646033671 390577845 /nfs/dbraw/zinc/57/78/45/390577845.db2.gz NXMLSMUBJKXOBF-LBPRGKRZSA-N 1 2 259.371 0.842 20 30 CCEDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567816960 390711185 /nfs/dbraw/zinc/71/11/85/390711185.db2.gz PFJDDSKNNYZHGP-GFCCVEGCSA-N 1 2 294.315 0.060 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1COC1 ZINC000570040124 390717183 /nfs/dbraw/zinc/71/71/83/390717183.db2.gz SDKPOHCHDBTZDA-CYBMUJFWSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1COC1 ZINC000570040124 390717184 /nfs/dbraw/zinc/71/71/84/390717184.db2.gz SDKPOHCHDBTZDA-CYBMUJFWSA-N 1 2 251.330 0.516 20 30 CCEDLO CCC(=O)N1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000570518773 390718726 /nfs/dbraw/zinc/71/87/26/390718726.db2.gz LEFZNOFJAKNFTG-IUODEOHRSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000570518774 390718970 /nfs/dbraw/zinc/71/89/70/390718970.db2.gz LEFZNOFJAKNFTG-SWLSCSKDSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000526056884 390674133 /nfs/dbraw/zinc/67/41/33/390674133.db2.gz HNZHOVMALUCUPK-JTQLQIEISA-N 1 2 273.340 0.719 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000526056884 390674136 /nfs/dbraw/zinc/67/41/36/390674136.db2.gz HNZHOVMALUCUPK-JTQLQIEISA-N 1 2 273.340 0.719 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)CCC1 ZINC000526283518 390681233 /nfs/dbraw/zinc/68/12/33/390681233.db2.gz NDSBKGORYCGLQC-NSHDSACASA-N 1 2 283.397 0.349 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)CCC1 ZINC000526283518 390681236 /nfs/dbraw/zinc/68/12/36/390681236.db2.gz NDSBKGORYCGLQC-NSHDSACASA-N 1 2 283.397 0.349 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000526944337 390684982 /nfs/dbraw/zinc/68/49/82/390684982.db2.gz JMNQQPRYRXRBLW-UHFFFAOYSA-N 1 2 270.292 0.970 20 30 CCEDLO CC#CCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528614570 390761726 /nfs/dbraw/zinc/76/17/26/390761726.db2.gz AMYFJHUZAUEDMM-UHFFFAOYSA-N 1 2 256.371 0.510 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000530278388 390875784 /nfs/dbraw/zinc/87/57/84/390875784.db2.gz XRDUESHTLHYFAT-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000530278388 390875786 /nfs/dbraw/zinc/87/57/86/390875786.db2.gz XRDUESHTLHYFAT-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C#CCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267069990 131816787 /nfs/dbraw/zinc/81/67/87/131816787.db2.gz HWAYSWFPIJADDP-UHFFFAOYSA-N 1 2 291.355 0.360 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000268686976 132049180 /nfs/dbraw/zinc/04/91/80/132049180.db2.gz NVJMSBGRLMLXSY-LBPRGKRZSA-N 1 2 263.341 0.567 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000268686976 132049182 /nfs/dbraw/zinc/04/91/82/132049182.db2.gz NVJMSBGRLMLXSY-LBPRGKRZSA-N 1 2 263.341 0.567 20 30 CCEDLO O=C(N[C@H]1CC[S@](=O)C1)N1CC[NH+](C2CC2)CC1 ZINC000330002864 296523151 /nfs/dbraw/zinc/52/31/51/296523151.db2.gz ZERDCUILXLQWNQ-YPMLDQLKSA-N 1 2 271.386 0.201 20 30 CCEDLO C[N@H+](CCN1CCOCC1)C[C@H](C#N)CCC#N ZINC000112560366 397410660 /nfs/dbraw/zinc/41/06/60/397410660.db2.gz DCHLAHAJVINQDW-ZDUSSCGKSA-N 1 2 250.346 0.694 20 30 CCEDLO C[N@@H+](CCN1CCOCC1)C[C@H](C#N)CCC#N ZINC000112560366 397410667 /nfs/dbraw/zinc/41/06/67/397410667.db2.gz DCHLAHAJVINQDW-ZDUSSCGKSA-N 1 2 250.346 0.694 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C[C@H](C#N)CCC#N ZINC000112560366 397410672 /nfs/dbraw/zinc/41/06/72/397410672.db2.gz DCHLAHAJVINQDW-ZDUSSCGKSA-N 1 2 250.346 0.694 20 30 CCEDLO COc1cc(C#N)ccc1OCC(=O)NCc1[nH]cc[nH+]1 ZINC000357546138 144099916 /nfs/dbraw/zinc/09/99/16/144099916.db2.gz FLZRQJFYGPKVFS-UHFFFAOYSA-N 1 2 286.291 0.985 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537644 397630681 /nfs/dbraw/zinc/63/06/81/397630681.db2.gz FKKOZRUJWVGZOK-VHSXEESVSA-N 1 2 253.302 0.892 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537644 397630684 /nfs/dbraw/zinc/63/06/84/397630684.db2.gz FKKOZRUJWVGZOK-VHSXEESVSA-N 1 2 253.302 0.892 20 30 CCEDLO C=CCN(C(=O)C(=O)Nc1ccc(N)[nH+]c1)[C@H](C)COC ZINC000659094809 413280498 /nfs/dbraw/zinc/28/04/98/413280498.db2.gz QHYDOKJIIQDHSG-SNVBAGLBSA-N 1 2 292.339 0.652 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC000653557036 412317115 /nfs/dbraw/zinc/31/71/15/412317115.db2.gz YVEICBAZWABNQC-CQSZACIVSA-N 1 2 280.372 0.828 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)nn1 ZINC000653557036 412317118 /nfs/dbraw/zinc/31/71/18/412317118.db2.gz YVEICBAZWABNQC-CQSZACIVSA-N 1 2 280.372 0.828 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000285094763 196195337 /nfs/dbraw/zinc/19/53/37/196195337.db2.gz GUIXKDQJPCJXNB-UHFFFAOYSA-N 1 2 281.381 0.881 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000285094763 196195338 /nfs/dbraw/zinc/19/53/38/196195338.db2.gz GUIXKDQJPCJXNB-UHFFFAOYSA-N 1 2 281.381 0.881 20 30 CCEDLO C=CCOCCNC(=O)NCc1[nH+]ccn1CC ZINC000661262629 414585777 /nfs/dbraw/zinc/58/57/77/414585777.db2.gz SOQYCDXMBRGFCJ-UHFFFAOYSA-N 1 2 252.318 0.905 20 30 CCEDLO C=CC[N@H+](Cc1nc(N)nc(N(C)C)n1)[C@H](C)COC ZINC000661241885 414584003 /nfs/dbraw/zinc/58/40/03/414584003.db2.gz DEZUKWZMOLNBOR-SNVBAGLBSA-N 1 2 280.376 0.543 20 30 CCEDLO C=CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)[C@H](C)COC ZINC000661241885 414584005 /nfs/dbraw/zinc/58/40/05/414584005.db2.gz DEZUKWZMOLNBOR-SNVBAGLBSA-N 1 2 280.376 0.543 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000662298535 414707763 /nfs/dbraw/zinc/70/77/63/414707763.db2.gz MWIFQFXHKKSMDD-HNNXBMFYSA-N 1 2 299.374 0.931 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000662298535 414707764 /nfs/dbraw/zinc/70/77/64/414707764.db2.gz MWIFQFXHKKSMDD-HNNXBMFYSA-N 1 2 299.374 0.931 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000665633577 416468935 /nfs/dbraw/zinc/46/89/35/416468935.db2.gz GKZJBAUBTSQBBE-CQSZACIVSA-N 1 2 264.325 0.861 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000665633576 416469427 /nfs/dbraw/zinc/46/94/27/416469427.db2.gz GKZJBAUBTSQBBE-AWEZNQCLSA-N 1 2 264.325 0.861 20 30 CCEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC#N ZINC000347721391 226232030 /nfs/dbraw/zinc/23/20/30/226232030.db2.gz UJULVMBOIVZCHH-UHFFFAOYSA-N 1 2 295.364 0.275 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)cn1 ZINC000352789478 227226806 /nfs/dbraw/zinc/22/68/06/227226806.db2.gz ODULDONNZBUERL-AWEZNQCLSA-N 1 2 286.383 0.981 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1COCCN1C)[NH+]1CCOCC1 ZINC000329056844 227275611 /nfs/dbraw/zinc/27/56/11/227275611.db2.gz YCIYXEDYCOOPSZ-XQQFMLRXSA-N 1 2 285.388 0.383 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000329055741 227275763 /nfs/dbraw/zinc/27/57/63/227275763.db2.gz SMICKEBSJGFWSE-NEPJUHHUSA-N 1 2 281.356 0.429 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000329055741 227275769 /nfs/dbraw/zinc/27/57/69/227275769.db2.gz SMICKEBSJGFWSE-NEPJUHHUSA-N 1 2 281.356 0.429 20 30 CCEDLO Cc1nccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000330102972 228040496 /nfs/dbraw/zinc/04/04/96/228040496.db2.gz FZJQGZKZCZDDIL-JTQLQIEISA-N 1 2 279.344 0.832 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330156058 228051518 /nfs/dbraw/zinc/05/15/18/228051518.db2.gz OLGUPPWQDBOHRF-NSHDSACASA-N 1 2 278.360 0.357 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330156058 228051520 /nfs/dbraw/zinc/05/15/20/228051520.db2.gz OLGUPPWQDBOHRF-NSHDSACASA-N 1 2 278.360 0.357 20 30 CCEDLO O=C(NC[C@H]1COCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330337510 228156164 /nfs/dbraw/zinc/15/61/64/228156164.db2.gz ZZTWSWYSGQKRJH-LBPRGKRZSA-N 1 2 294.355 0.919 20 30 CCEDLO O=C(NC[C@H]1COCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330337510 228156165 /nfs/dbraw/zinc/15/61/65/228156165.db2.gz ZZTWSWYSGQKRJH-LBPRGKRZSA-N 1 2 294.355 0.919 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COC(F)F ZINC000351952459 228168484 /nfs/dbraw/zinc/16/84/84/228168484.db2.gz ULWZBGJEUYYZOS-UHFFFAOYSA-N 1 2 291.298 0.300 20 30 CCEDLO [O-]C(NC[C@@H]1CC[C@H](O)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329914758 545027710 /nfs/dbraw/zinc/02/77/10/545027710.db2.gz CPZOZCZHEASKNY-WOPDTQHZSA-N 1 2 278.356 0.863 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[C@H](O)C1 ZINC000329914758 545027711 /nfs/dbraw/zinc/02/77/11/545027711.db2.gz CPZOZCZHEASKNY-WOPDTQHZSA-N 1 2 278.356 0.863 20 30 CCEDLO CCc1nc(C#N)cc(N[C@@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176058 420492783 /nfs/dbraw/zinc/49/27/83/420492783.db2.gz FFYTXQZCHARVKG-GFCCVEGCSA-N 1 2 291.355 0.016 20 30 CCEDLO Cc1nc(N[C@H](CO)C[NH+]2CCOCC2)ccc1C#N ZINC000601177334 420493013 /nfs/dbraw/zinc/49/30/13/420493013.db2.gz UKIAZULVBLLHMW-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO N#CCCCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000332692953 260018515 /nfs/dbraw/zinc/01/85/15/260018515.db2.gz HOWAKWZEUHUVDS-UHFFFAOYSA-N 1 2 280.309 0.474 20 30 CCEDLO CC(C)[C@@H](C(=O)NCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000407962993 260101394 /nfs/dbraw/zinc/10/13/94/260101394.db2.gz FIFXPWZIDSORRV-UTUOFQBUSA-N 1 2 253.346 0.760 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517757040 260189151 /nfs/dbraw/zinc/18/91/51/260189151.db2.gz MLDIYVVOYYXILS-SECBINFHSA-N 1 2 264.285 0.113 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517757040 260189157 /nfs/dbraw/zinc/18/91/57/260189157.db2.gz MLDIYVVOYYXILS-SECBINFHSA-N 1 2 264.285 0.113 20 30 CCEDLO CS(=O)(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000408110519 260236084 /nfs/dbraw/zinc/23/60/84/260236084.db2.gz RDGGDIJPRKTQOC-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO CS(=O)(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000408110519 260236085 /nfs/dbraw/zinc/23/60/85/260236085.db2.gz RDGGDIJPRKTQOC-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000490715282 261190189 /nfs/dbraw/zinc/19/01/89/261190189.db2.gz WHOUWNLJZLCFGY-KKUMJFAQSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000490715282 261190191 /nfs/dbraw/zinc/19/01/91/261190191.db2.gz WHOUWNLJZLCFGY-KKUMJFAQSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C)c(C#N)c2)CC1 ZINC000490865758 261230090 /nfs/dbraw/zinc/23/00/90/261230090.db2.gz GXDOPKGQKZMUQQ-UHFFFAOYSA-N 1 2 270.336 0.446 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N2CC[C@@H](COC)C2)CC1 ZINC000491100027 261327127 /nfs/dbraw/zinc/32/71/27/261327127.db2.gz FBRXMOFIFXVLNW-CYBMUJFWSA-N 1 2 265.357 0.326 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC(=O)NC(C)C)c1 ZINC000174212637 261562181 /nfs/dbraw/zinc/56/21/81/261562181.db2.gz BGYNDGXRMMTONI-UHFFFAOYSA-N 1 2 265.313 0.857 20 30 CCEDLO C#C[C@@H](C)N(C)c1nc(NC)[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000491780856 262040477 /nfs/dbraw/zinc/04/04/77/262040477.db2.gz LHXXXIRCHGSLIR-PHIMTYICSA-N 1 2 272.356 0.251 20 30 CCEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)nc(NC)[nH+]1 ZINC000491780856 262040478 /nfs/dbraw/zinc/04/04/78/262040478.db2.gz LHXXXIRCHGSLIR-PHIMTYICSA-N 1 2 272.356 0.251 20 30 CCEDLO COC(=O)[C@H]1CCC[N@H+](CCOCCC#N)[C@@H]1C(=O)OC ZINC000339048440 262587853 /nfs/dbraw/zinc/58/78/53/262587853.db2.gz WKJGSSXTBQOTBS-RYUDHWBXSA-N 1 2 298.339 0.343 20 30 CCEDLO COC(=O)[C@H]1CCC[N@@H+](CCOCCC#N)[C@@H]1C(=O)OC ZINC000339048440 262587854 /nfs/dbraw/zinc/58/78/54/262587854.db2.gz WKJGSSXTBQOTBS-RYUDHWBXSA-N 1 2 298.339 0.343 20 30 CCEDLO O=C1C[N@H+](CCN=Cc2cc3ccccc3[nH]c2=O)CCN1 ZINC000272627371 263007927 /nfs/dbraw/zinc/00/79/27/263007927.db2.gz LCVVKBNHQZSFNF-LICLKQGHSA-N 1 2 298.346 0.791 20 30 CCEDLO O=C1C[N@@H+](CCN=Cc2cc3ccccc3[nH]c2=O)CCN1 ZINC000272627371 263007928 /nfs/dbraw/zinc/00/79/28/263007928.db2.gz LCVVKBNHQZSFNF-LICLKQGHSA-N 1 2 298.346 0.791 20 30 CCEDLO Cn1nccc1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000276281009 263035816 /nfs/dbraw/zinc/03/58/16/263035816.db2.gz FYGDWWFQGVHRBE-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO Cn1nccc1CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000276281009 263035817 /nfs/dbraw/zinc/03/58/17/263035817.db2.gz FYGDWWFQGVHRBE-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO Cn1nccc1CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000276281009 263035818 /nfs/dbraw/zinc/03/58/18/263035818.db2.gz FYGDWWFQGVHRBE-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO C[C@H]1C[N@H+](CCSc2nnc(CC#N)n2C)CCO1 ZINC000279882675 263057944 /nfs/dbraw/zinc/05/79/44/263057944.db2.gz HMPCNASRAISEMM-JTQLQIEISA-N 1 2 281.385 0.694 20 30 CCEDLO C[C@H]1C[N@@H+](CCSc2nnc(CC#N)n2C)CCO1 ZINC000279882675 263057945 /nfs/dbraw/zinc/05/79/45/263057945.db2.gz HMPCNASRAISEMM-JTQLQIEISA-N 1 2 281.385 0.694 20 30 CCEDLO NC(COc1cccc(F)c1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000282135130 263074419 /nfs/dbraw/zinc/07/44/19/263074419.db2.gz AIZKHNFXRHLPFY-JTQLQIEISA-N 1 2 283.259 0.602 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285374951 263092605 /nfs/dbraw/zinc/09/26/05/263092605.db2.gz CIQQVNTWDIDSCV-UHFFFAOYSA-N 1 2 262.309 0.889 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285374951 263092606 /nfs/dbraw/zinc/09/26/06/263092606.db2.gz CIQQVNTWDIDSCV-UHFFFAOYSA-N 1 2 262.309 0.889 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2nnn(C)n2)c1 ZINC000289395501 263109930 /nfs/dbraw/zinc/10/99/30/263109930.db2.gz NDDPBUPLBAHHKI-UHFFFAOYSA-N 1 2 262.273 0.056 20 30 CCEDLO C=CC[N@@H+](CCC#N)CCCNS(=O)(=O)CC ZINC000292160991 263129072 /nfs/dbraw/zinc/12/90/72/263129072.db2.gz KYMLJEFCCPEFSI-UHFFFAOYSA-N 1 2 259.375 0.717 20 30 CCEDLO C=CC[N@H+](CCC#N)CCCNS(=O)(=O)CC ZINC000292160991 263129073 /nfs/dbraw/zinc/12/90/73/263129073.db2.gz KYMLJEFCCPEFSI-UHFFFAOYSA-N 1 2 259.375 0.717 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187686971 263265121 /nfs/dbraw/zinc/26/51/21/263265121.db2.gz DFQKXKVYCXIEPH-GJZGRUSLSA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187686971 263265122 /nfs/dbraw/zinc/26/51/22/263265122.db2.gz DFQKXKVYCXIEPH-GJZGRUSLSA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120819132 263288906 /nfs/dbraw/zinc/28/89/06/263288906.db2.gz XOHPATWQCKWRBZ-UHFFFAOYSA-N 1 2 275.352 0.816 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NCc1[nH+]ccn1C ZINC000341851744 263359550 /nfs/dbraw/zinc/35/95/50/263359550.db2.gz WGRAIKOJJUJJGD-SNVBAGLBSA-N 1 2 252.318 0.404 20 30 CCEDLO CC(C)[C@@H](O)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330903956 264073942 /nfs/dbraw/zinc/07/39/42/264073942.db2.gz LUEWEHHKKKFGLO-LBPRGKRZSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@@H](O)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330903956 264073943 /nfs/dbraw/zinc/07/39/43/264073943.db2.gz LUEWEHHKKKFGLO-LBPRGKRZSA-N 1 2 287.404 0.618 20 30 CCEDLO COc1c(C[N@H+](C)CCNC(=O)N(C)C)c(C)nn1C ZINC000330895321 264077640 /nfs/dbraw/zinc/07/76/40/264077640.db2.gz RXTRGTVWTANDNV-UHFFFAOYSA-N 1 2 283.376 0.645 20 30 CCEDLO COc1c(C[N@@H+](C)CCNC(=O)N(C)C)c(C)nn1C ZINC000330895321 264077641 /nfs/dbraw/zinc/07/76/41/264077641.db2.gz RXTRGTVWTANDNV-UHFFFAOYSA-N 1 2 283.376 0.645 20 30 CCEDLO C[C@H](NC(=O)N(C)CCCO)[C@H](C)[NH+]1CCOCC1 ZINC000331285861 264172920 /nfs/dbraw/zinc/17/29/20/264172920.db2.gz YCEQWFFBICGTAQ-RYUDHWBXSA-N 1 2 273.377 0.324 20 30 CCEDLO C=CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000331360863 264208944 /nfs/dbraw/zinc/20/89/44/264208944.db2.gz YILRGIWSNBCIDA-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCOC1 ZINC000162511617 264332809 /nfs/dbraw/zinc/33/28/09/264332809.db2.gz NEANPQSEFKJBGS-CYBMUJFWSA-N 1 2 281.356 0.097 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000368838874 267209287 /nfs/dbraw/zinc/20/92/87/267209287.db2.gz PFJSADJNRWUPCC-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000368838874 267209290 /nfs/dbraw/zinc/20/92/90/267209290.db2.gz PFJSADJNRWUPCC-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368881230 267210103 /nfs/dbraw/zinc/21/01/03/267210103.db2.gz XRVKTZPQAUANEG-TZMCWYRMSA-N 1 2 290.371 0.579 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368881230 267210105 /nfs/dbraw/zinc/21/01/05/267210105.db2.gz XRVKTZPQAUANEG-TZMCWYRMSA-N 1 2 290.371 0.579 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000369536805 267249593 /nfs/dbraw/zinc/24/95/93/267249593.db2.gz LCPNFFFGUZJMFS-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000369536805 267249595 /nfs/dbraw/zinc/24/95/95/267249595.db2.gz LCPNFFFGUZJMFS-AAEUAGOBSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370032477 267285171 /nfs/dbraw/zinc/28/51/71/267285171.db2.gz LHFAYUGTJSZWTO-JQWIXIFHSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370032477 267285174 /nfs/dbraw/zinc/28/51/74/267285174.db2.gz LHFAYUGTJSZWTO-JQWIXIFHSA-N 1 2 281.356 0.498 20 30 CCEDLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c(C#N)cn1 ZINC000399435820 267301792 /nfs/dbraw/zinc/30/17/92/267301792.db2.gz KLGFNQYBCSQLIX-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375661503 267884506 /nfs/dbraw/zinc/88/45/06/267884506.db2.gz VRQCBYALMPNYCM-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375661503 267884509 /nfs/dbraw/zinc/88/45/09/267884509.db2.gz VRQCBYALMPNYCM-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO CCN1CCN(c2cc(C#N)ncn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530374691 269656002 /nfs/dbraw/zinc/65/60/02/269656002.db2.gz XNRPCNOLJCBHQB-LBPRGKRZSA-N 1 2 283.339 0.955 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000285786251 278476767 /nfs/dbraw/zinc/47/67/67/278476767.db2.gz SUDHUJCBDKBGQF-SMDDNHRTSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(C)(C(N)=O)C1 ZINC000575284131 335090573 /nfs/dbraw/zinc/09/05/73/335090573.db2.gz BMCSXISCIFOKGD-LLVKDONJSA-N 1 2 292.383 0.525 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271529894 303190932 /nfs/dbraw/zinc/19/09/32/303190932.db2.gz IHAHHPXYLHROFB-LBPRGKRZSA-N 1 2 261.350 0.961 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271529894 303190935 /nfs/dbraw/zinc/19/09/35/303190935.db2.gz IHAHHPXYLHROFB-LBPRGKRZSA-N 1 2 261.350 0.961 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491255024 327734318 /nfs/dbraw/zinc/73/43/18/327734318.db2.gz UZXKWWROUOZFHK-SNVBAGLBSA-N 1 2 255.281 0.756 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000563364617 328059323 /nfs/dbraw/zinc/05/93/23/328059323.db2.gz HQTKKSWJUBNCLF-NSHDSACASA-N 1 2 266.345 0.007 20 30 CCEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000571646477 328190802 /nfs/dbraw/zinc/19/08/02/328190802.db2.gz QMLRQKKQCGADAL-AWEZNQCLSA-N 1 2 260.341 0.893 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000563715705 328492273 /nfs/dbraw/zinc/49/22/73/328492273.db2.gz LVKPFAWBOJCZTM-GXFFZTMASA-N 1 2 266.345 0.005 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000584116801 327042345 /nfs/dbraw/zinc/04/23/45/327042345.db2.gz LDBMHBZQFINPRF-LLVKDONJSA-N 1 2 266.257 0.761 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000584214540 327064814 /nfs/dbraw/zinc/06/48/14/327064814.db2.gz FEOVWVQMJMMCOW-MJBXVCDLSA-N 1 2 297.399 0.740 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155768279 327397964 /nfs/dbraw/zinc/39/79/64/327397964.db2.gz FWAIMGGQMYAGSY-AWEZNQCLSA-N 1 2 296.367 0.801 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155768279 327397965 /nfs/dbraw/zinc/39/79/65/327397965.db2.gz FWAIMGGQMYAGSY-AWEZNQCLSA-N 1 2 296.367 0.801 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172100849 329081335 /nfs/dbraw/zinc/08/13/35/329081335.db2.gz FOOWRWLBYKCXBS-QWHCGFSZSA-N 1 2 251.330 0.903 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172100849 329081337 /nfs/dbraw/zinc/08/13/37/329081337.db2.gz FOOWRWLBYKCXBS-QWHCGFSZSA-N 1 2 251.330 0.903 20 30 CCEDLO Cc1nnc(CN(CCC#N)CC[NH+]2CCOCC2)n1C ZINC000176264012 329176037 /nfs/dbraw/zinc/17/60/37/329176037.db2.gz WRXFLNUOZCQJMI-UHFFFAOYSA-N 1 2 292.387 0.171 20 30 CCEDLO Cc1nccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000582789303 329202992 /nfs/dbraw/zinc/20/29/92/329202992.db2.gz VJUJLIUUTJAODO-CQSZACIVSA-N 1 2 275.356 0.678 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000186077759 329337070 /nfs/dbraw/zinc/33/70/70/329337070.db2.gz CEHALSVKGZQVMV-NWDGAFQWSA-N 1 2 258.325 0.981 20 30 CCEDLO CC(C)(C#N)CCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459731556 329374281 /nfs/dbraw/zinc/37/42/81/329374281.db2.gz QVHRWGVBAFZLKG-UHFFFAOYSA-N 1 2 280.372 0.336 20 30 CCEDLO CC(C)(C#N)CCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459731556 329374283 /nfs/dbraw/zinc/37/42/83/329374283.db2.gz QVHRWGVBAFZLKG-UHFFFAOYSA-N 1 2 280.372 0.336 20 30 CCEDLO CC(C)(CNC(=O)CN1CC(C)(C#N)C1)[NH+]1CCOCC1 ZINC000583791036 329478258 /nfs/dbraw/zinc/47/82/58/329478258.db2.gz HYZIFCGDEABLFB-UHFFFAOYSA-N 1 2 294.399 0.059 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000420001174 329751926 /nfs/dbraw/zinc/75/19/26/329751926.db2.gz PLVHRVJBDVIEFL-XQQFMLRXSA-N 1 2 295.383 0.982 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000424061422 330218923 /nfs/dbraw/zinc/21/89/23/330218923.db2.gz IVLOPJFSBPDHAI-NWDGAFQWSA-N 1 2 266.345 0.310 20 30 CCEDLO C=CCn1cc(CNC(=O)NCCn2cc[nH+]c2)nn1 ZINC000424068570 330219505 /nfs/dbraw/zinc/21/95/05/330219505.db2.gz ZNTNOIUSAPUORR-UHFFFAOYSA-N 1 2 275.316 0.160 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)nn1 ZINC000424290871 330334744 /nfs/dbraw/zinc/33/47/44/330334744.db2.gz CHXQNDQXJXVQLO-QWHCGFSZSA-N 1 2 298.412 0.910 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090008901 330389975 /nfs/dbraw/zinc/38/99/75/330389975.db2.gz HOVZTPHRTMCORR-HIFRSBDPSA-N 1 2 277.368 0.906 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1)C1CC1 ZINC000090008901 330389976 /nfs/dbraw/zinc/38/99/76/330389976.db2.gz HOVZTPHRTMCORR-HIFRSBDPSA-N 1 2 277.368 0.906 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000456770324 331202260 /nfs/dbraw/zinc/20/22/60/331202260.db2.gz RVPHHPZJHXHCEE-GJZGRUSLSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000456770324 331202261 /nfs/dbraw/zinc/20/22/61/331202261.db2.gz RVPHHPZJHXHCEE-GJZGRUSLSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458273555 331247033 /nfs/dbraw/zinc/24/70/33/331247033.db2.gz ISVPLRKPZDKLHB-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458273555 331247034 /nfs/dbraw/zinc/24/70/34/331247034.db2.gz ISVPLRKPZDKLHB-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO CC#CCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458707424 331257380 /nfs/dbraw/zinc/25/73/80/331257380.db2.gz ANGAUGSHUJTYHC-UHFFFAOYSA-N 1 2 265.357 0.516 20 30 CCEDLO C=C(CC)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000459072980 331269225 /nfs/dbraw/zinc/26/92/25/331269225.db2.gz IXTHBPGEHWUIOQ-ZDUSSCGKSA-N 1 2 285.388 0.287 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC000459718248 331295647 /nfs/dbraw/zinc/29/56/47/331295647.db2.gz XJOPBTFBKOCXPG-HIFRSBDPSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC000459718248 331295648 /nfs/dbraw/zinc/29/56/48/331295648.db2.gz XJOPBTFBKOCXPG-HIFRSBDPSA-N 1 2 292.379 0.759 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000489710323 332065629 /nfs/dbraw/zinc/06/56/29/332065629.db2.gz YWCOYOGUMMLZIH-UHFFFAOYSA-N 1 2 276.402 0.282 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490713573 332107231 /nfs/dbraw/zinc/10/72/31/332107231.db2.gz KWRVDEPECWVQAQ-NXEZZACHSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490713573 332107233 /nfs/dbraw/zinc/10/72/33/332107233.db2.gz KWRVDEPECWVQAQ-NXEZZACHSA-N 1 2 299.314 0.422 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cnc(-c3ccccn3)n2)CC1 ZINC000490898596 332127221 /nfs/dbraw/zinc/12/72/21/332127221.db2.gz LDKVGSUUFUGMHR-UHFFFAOYSA-N 1 2 282.351 0.548 20 30 CCEDLO C#CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000491066425 332144378 /nfs/dbraw/zinc/14/43/78/332144378.db2.gz CEGOSIPOKZWAJH-UHFFFAOYSA-N 1 2 282.303 0.902 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCCO2)CC1 ZINC000491067514 332144632 /nfs/dbraw/zinc/14/46/32/332144632.db2.gz IRKCAIHTIAPLLN-CQSZACIVSA-N 1 2 289.383 0.521 20 30 CCEDLO C#CC[N@@H+](CC)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491209812 332166629 /nfs/dbraw/zinc/16/66/29/332166629.db2.gz MDARKXVWWGQBBR-AWEZNQCLSA-N 1 2 295.408 0.872 20 30 CCEDLO C#CC[N@H+](CC)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000491209812 332166631 /nfs/dbraw/zinc/16/66/31/332166631.db2.gz MDARKXVWWGQBBR-AWEZNQCLSA-N 1 2 295.408 0.872 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000491210680 332167157 /nfs/dbraw/zinc/16/71/57/332167157.db2.gz XLGGKHDVDSFYNJ-UHFFFAOYSA-N 1 2 289.354 0.693 20 30 CCEDLO C#CCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491230015 332170524 /nfs/dbraw/zinc/17/05/24/332170524.db2.gz KEHBHXRNBIZCIH-UHFFFAOYSA-N 1 2 251.330 0.126 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cnccc2C)CC1 ZINC000491440887 332212208 /nfs/dbraw/zinc/21/22/08/332212208.db2.gz ROSUCMJACQDVCI-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](F)CC)CC1 ZINC000491453503 332214506 /nfs/dbraw/zinc/21/45/06/332214506.db2.gz RXUDPPMCMORVGS-LBPRGKRZSA-N 1 2 255.337 0.102 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(C)(C)C#N)CC1 ZINC000491555076 332237232 /nfs/dbraw/zinc/23/72/32/332237232.db2.gz OMKITVOVOXSSBO-UHFFFAOYSA-N 1 2 276.384 0.245 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491615566 332243076 /nfs/dbraw/zinc/24/30/76/332243076.db2.gz FEWYPAPPCLBPFF-SNVBAGLBSA-N 1 2 299.330 0.804 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491615566 332243078 /nfs/dbraw/zinc/24/30/78/332243078.db2.gz FEWYPAPPCLBPFF-SNVBAGLBSA-N 1 2 299.330 0.804 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCCNC(=O)C(F)(F)F ZINC000491663091 332272532 /nfs/dbraw/zinc/27/25/32/332272532.db2.gz GRWVMGMOFDAHHX-VIFPVBQESA-N 1 2 264.247 0.389 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000491663091 332272534 /nfs/dbraw/zinc/27/25/34/332272534.db2.gz GRWVMGMOFDAHHX-VIFPVBQESA-N 1 2 264.247 0.389 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000491669631 332277055 /nfs/dbraw/zinc/27/70/55/332277055.db2.gz UOGMKWWPJKKCCQ-QMTHXVAHSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000491669631 332277056 /nfs/dbraw/zinc/27/70/56/332277056.db2.gz UOGMKWWPJKKCCQ-QMTHXVAHSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000491678655 332283276 /nfs/dbraw/zinc/28/32/76/332283276.db2.gz BWQNGFHXLIQTMX-CABCVRRESA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000491678655 332283278 /nfs/dbraw/zinc/28/32/78/332283278.db2.gz BWQNGFHXLIQTMX-CABCVRRESA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000491690336 332287365 /nfs/dbraw/zinc/28/73/65/332287365.db2.gz BASFHIRGFRFQDX-OLZOCXBDSA-N 1 2 265.309 0.491 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000491690336 332287366 /nfs/dbraw/zinc/28/73/66/332287366.db2.gz BASFHIRGFRFQDX-OLZOCXBDSA-N 1 2 265.309 0.491 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000491706218 332299213 /nfs/dbraw/zinc/29/92/13/332299213.db2.gz DMUDYWHLHRPFLN-UHFFFAOYSA-N 1 2 264.260 0.884 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCOCCNC(=O)OC(C)(C)C ZINC000491777055 332342476 /nfs/dbraw/zinc/34/24/76/332342476.db2.gz HDBKRQBJNVQRHA-CYBMUJFWSA-N 1 2 298.383 0.862 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCOCCNC(=O)OC(C)(C)C ZINC000491777055 332342477 /nfs/dbraw/zinc/34/24/77/332342477.db2.gz HDBKRQBJNVQRHA-CYBMUJFWSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491821470 332370746 /nfs/dbraw/zinc/37/07/46/332370746.db2.gz VURKNWDBSBEOBT-UHFFFAOYSA-N 1 2 250.323 0.612 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491821470 332370747 /nfs/dbraw/zinc/37/07/47/332370747.db2.gz VURKNWDBSBEOBT-UHFFFAOYSA-N 1 2 250.323 0.612 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1nn[nH]n1)C1CCCCC1 ZINC000491819305 332369323 /nfs/dbraw/zinc/36/93/23/332369323.db2.gz STRUHVCDSFKFEI-UHFFFAOYSA-N 1 2 262.317 0.406 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1nn[nH]n1)C1CCCCC1 ZINC000491819305 332369324 /nfs/dbraw/zinc/36/93/24/332369324.db2.gz STRUHVCDSFKFEI-UHFFFAOYSA-N 1 2 262.317 0.406 20 30 CCEDLO C=CCOC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OC ZINC000493267361 332433274 /nfs/dbraw/zinc/43/32/74/332433274.db2.gz UKTWYMWVVDRCAG-ORAHPGNNSA-N 1 2 279.296 0.283 20 30 CCEDLO CC(C)(CNc1cncc(C#N)n1)[NH+]1CCS(=O)CC1 ZINC000575798833 335115957 /nfs/dbraw/zinc/11/59/57/335115957.db2.gz BVFYAHYXFZUFQA-UHFFFAOYSA-N 1 2 293.396 0.603 20 30 CCEDLO CO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000516774507 333082129 /nfs/dbraw/zinc/08/21/29/333082129.db2.gz TZMARBUMHYPHGS-DGCLKSJQSA-N 1 2 279.344 0.068 20 30 CCEDLO CO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000516774508 333082234 /nfs/dbraw/zinc/08/22/34/333082234.db2.gz TZMARBUMHYPHGS-WCQYABFASA-N 1 2 279.344 0.068 20 30 CCEDLO Cn1cc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000517166995 333093723 /nfs/dbraw/zinc/09/37/23/333093723.db2.gz WNQNPYWLIDGUNT-GFCCVEGCSA-N 1 2 287.323 0.288 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185429597 333140598 /nfs/dbraw/zinc/14/05/98/333140598.db2.gz OGWXRGGPYLPGDB-ZMZPIMSZSA-N 1 2 273.402 0.447 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185429597 333140596 /nfs/dbraw/zinc/14/05/96/333140596.db2.gz OGWXRGGPYLPGDB-ZMZPIMSZSA-N 1 2 273.402 0.447 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000192220134 333232748 /nfs/dbraw/zinc/23/27/48/333232748.db2.gz JOOBYTWXFFQONA-AWEZNQCLSA-N 1 2 273.336 0.155 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000192220134 333232749 /nfs/dbraw/zinc/23/27/49/333232749.db2.gz JOOBYTWXFFQONA-AWEZNQCLSA-N 1 2 273.336 0.155 20 30 CCEDLO N#CCCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000541330325 333772348 /nfs/dbraw/zinc/77/23/48/333772348.db2.gz NYJQMDFFACETGK-UHFFFAOYSA-N 1 2 271.324 0.593 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246178019 334238862 /nfs/dbraw/zinc/23/88/62/334238862.db2.gz WAGUVJPXWFLENZ-DTWKUNHWSA-N 1 2 281.278 0.602 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246178019 334238863 /nfs/dbraw/zinc/23/88/63/334238863.db2.gz WAGUVJPXWFLENZ-DTWKUNHWSA-N 1 2 281.278 0.602 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249503055 334334955 /nfs/dbraw/zinc/33/49/55/334334955.db2.gz XSTAZDRELMELIG-RDBSUJKOSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249503055 334334956 /nfs/dbraw/zinc/33/49/56/334334956.db2.gz XSTAZDRELMELIG-RDBSUJKOSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCOC[C@H](NCc1[nH+]ccn1CC)C(=O)OC ZINC000564815696 334522065 /nfs/dbraw/zinc/52/20/65/334522065.db2.gz XASRYRGSODAPPE-NSHDSACASA-N 1 2 267.329 0.737 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000565634559 334582018 /nfs/dbraw/zinc/58/20/18/334582018.db2.gz DPBVXEAEVGTOFH-ZDUSSCGKSA-N 1 2 285.351 0.306 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@]2(C)C[C@@H]2F)c1C#N ZINC000577275941 335333551 /nfs/dbraw/zinc/33/35/51/335333551.db2.gz LQBQCYFYKRKVPJ-GWCFXTLKSA-N 1 2 279.319 0.542 20 30 CCEDLO CC(=O)NCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000177028015 335355057 /nfs/dbraw/zinc/35/50/57/335355057.db2.gz FDCWANDRPJUUFJ-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO CC(=O)NCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000177028015 335355058 /nfs/dbraw/zinc/35/50/58/335355058.db2.gz FDCWANDRPJUUFJ-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO CC(=O)NCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000177028015 335355059 /nfs/dbraw/zinc/35/50/59/335355059.db2.gz FDCWANDRPJUUFJ-UHFFFAOYSA-N 1 2 282.388 0.060 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)o1 ZINC000340365175 526598722 /nfs/dbraw/zinc/59/87/22/526598722.db2.gz IBAPQANGOSIJGM-LBPRGKRZSA-N 1 2 275.308 0.744 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)o1 ZINC000340365175 526598728 /nfs/dbraw/zinc/59/87/28/526598728.db2.gz IBAPQANGOSIJGM-LBPRGKRZSA-N 1 2 275.308 0.744 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000354492142 526641411 /nfs/dbraw/zinc/64/14/11/526641411.db2.gz DNHRTQHHUDQYHZ-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000354492142 526641415 /nfs/dbraw/zinc/64/14/15/526641415.db2.gz DNHRTQHHUDQYHZ-CYBMUJFWSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000354887513 526704644 /nfs/dbraw/zinc/70/46/44/526704644.db2.gz PDEWXZFYVLZVPI-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000354887513 526704647 /nfs/dbraw/zinc/70/46/47/526704647.db2.gz PDEWXZFYVLZVPI-UHFFFAOYSA-N 1 2 256.346 0.416 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331813658 526853352 /nfs/dbraw/zinc/85/33/52/526853352.db2.gz HAENHQSGAJGWLU-UKRRQHHQSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331813658 526853357 /nfs/dbraw/zinc/85/33/57/526853357.db2.gz HAENHQSGAJGWLU-UKRRQHHQSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000666512511 545124635 /nfs/dbraw/zinc/12/46/35/545124635.db2.gz DQFLRDAVDQMGFY-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000666512511 545124636 /nfs/dbraw/zinc/12/46/36/545124636.db2.gz DQFLRDAVDQMGFY-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354648981 527426053 /nfs/dbraw/zinc/42/60/53/527426053.db2.gz JVMQTYBJFFMSEY-JTQLQIEISA-N 1 2 288.307 0.244 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000353209321 527448285 /nfs/dbraw/zinc/44/82/85/527448285.db2.gz SUSURZPGMKFAFV-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000668115646 545163955 /nfs/dbraw/zinc/16/39/55/545163955.db2.gz DLJSDBYLNQFWQG-AWEZNQCLSA-N 1 2 290.363 0.886 20 30 CCEDLO C=C[C@H](CO)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000350639537 527586773 /nfs/dbraw/zinc/58/67/73/527586773.db2.gz PUYSMAJAAUVYIO-GFCCVEGCSA-N 1 2 287.323 0.995 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000668365743 545175257 /nfs/dbraw/zinc/17/52/57/545175257.db2.gz UHLQTZFIHWTYAV-AWEZNQCLSA-N 1 2 278.356 0.001 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376721 545175622 /nfs/dbraw/zinc/17/56/22/545175622.db2.gz MCAKPBRHYULQQX-ZDUSSCGKSA-N 1 2 290.367 0.814 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668688498 545187541 /nfs/dbraw/zinc/18/75/41/545187541.db2.gz OSINPVUWHBTNDB-OAHLLOKOSA-N 1 2 283.416 0.408 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668688498 545187542 /nfs/dbraw/zinc/18/75/42/545187542.db2.gz OSINPVUWHBTNDB-OAHLLOKOSA-N 1 2 283.416 0.408 20 30 CCEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000330211329 528834615 /nfs/dbraw/zinc/83/46/15/528834615.db2.gz JCGXGFWWOIWOTQ-KGLIPLIRSA-N 1 2 299.415 0.883 20 30 CCEDLO CCN1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330187945 529107500 /nfs/dbraw/zinc/10/75/00/529107500.db2.gz KTIKHSAYBHMPNK-NSHDSACASA-N 1 2 291.355 0.276 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000359091834 535855230 /nfs/dbraw/zinc/85/52/30/535855230.db2.gz FUMQAIXSZLYSIT-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000359091834 535855234 /nfs/dbraw/zinc/85/52/34/535855234.db2.gz FUMQAIXSZLYSIT-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000791171996 581209222 /nfs/dbraw/zinc/20/92/22/581209222.db2.gz CCAQMROYWJIWTP-AVGNSLFASA-N 1 2 282.409 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000791171996 581209224 /nfs/dbraw/zinc/20/92/24/581209224.db2.gz CCAQMROYWJIWTP-AVGNSLFASA-N 1 2 282.409 0.452 20 30 CCEDLO C#CCCS(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000791423523 581220915 /nfs/dbraw/zinc/22/09/15/581220915.db2.gz QWOVPKLORFSHEI-UHFFFAOYSA-N 1 2 267.354 0.590 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cn1 ZINC000779563936 581191596 /nfs/dbraw/zinc/19/15/96/581191596.db2.gz PKUDHOSRPZGCCP-GFCCVEGCSA-N 1 2 299.290 0.121 20 30 CCEDLO C=CCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779568227 581192578 /nfs/dbraw/zinc/19/25/78/581192578.db2.gz ZZWKPQMQMPGDBA-JTQLQIEISA-N 1 2 251.286 0.507 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000780791752 581244882 /nfs/dbraw/zinc/24/48/82/581244882.db2.gz PLBQBIQWMDRXBM-NSHDSACASA-N 1 2 273.340 0.651 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000780791752 581244884 /nfs/dbraw/zinc/24/48/84/581244884.db2.gz PLBQBIQWMDRXBM-NSHDSACASA-N 1 2 273.340 0.651 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000780831241 581245667 /nfs/dbraw/zinc/24/56/67/581245667.db2.gz YNIQTJVODLNNHQ-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000780831241 581245669 /nfs/dbraw/zinc/24/56/69/581245669.db2.gz YNIQTJVODLNNHQ-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C#CCN1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000726801948 581253469 /nfs/dbraw/zinc/25/34/69/581253469.db2.gz QRCOVCADDKVWHU-UHFFFAOYSA-N 1 2 296.374 0.963 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000780986797 581254705 /nfs/dbraw/zinc/25/47/05/581254705.db2.gz QDLQESVFWZTGIG-WFASDCNBSA-N 1 2 296.330 0.988 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000780986797 581254707 /nfs/dbraw/zinc/25/47/07/581254707.db2.gz QDLQESVFWZTGIG-WFASDCNBSA-N 1 2 296.330 0.988 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ncccc1C#N ZINC000793187378 581287448 /nfs/dbraw/zinc/28/74/48/581287448.db2.gz IHCBPBFIVZQQRO-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949206 581328495 /nfs/dbraw/zinc/32/84/95/581328495.db2.gz REYJDKDKMOYMHB-UHFFFAOYSA-N 1 2 286.129 0.832 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796330404 581353005 /nfs/dbraw/zinc/35/30/05/581353005.db2.gz CUYVSUMIMYCRPL-NXEZZACHSA-N 1 2 293.289 0.509 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796330404 581353009 /nfs/dbraw/zinc/35/30/09/581353009.db2.gz CUYVSUMIMYCRPL-NXEZZACHSA-N 1 2 293.289 0.509 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000794397195 581367235 /nfs/dbraw/zinc/36/72/35/581367235.db2.gz ASZRPEDGBGLBDQ-JOYOIKCWSA-N 1 2 263.297 0.600 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000794397195 581367239 /nfs/dbraw/zinc/36/72/39/581367239.db2.gz ASZRPEDGBGLBDQ-JOYOIKCWSA-N 1 2 263.297 0.600 20 30 CCEDLO CCNc1nc(N=NCc2cn(C)c[nH+]2)nc(NCC)n1 ZINC000794473141 581371074 /nfs/dbraw/zinc/37/10/74/581371074.db2.gz ZPFALPPQPDQHLU-UHFFFAOYSA-N 1 2 289.347 0.915 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667359 581382922 /nfs/dbraw/zinc/38/29/22/581382922.db2.gz ONIUQGJEHHEIAZ-IUODEOHRSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1cccc(C#N)c1=O)CCO2 ZINC000794667359 581382923 /nfs/dbraw/zinc/38/29/23/581382923.db2.gz ONIUQGJEHHEIAZ-IUODEOHRSA-N 1 2 289.335 0.557 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557821 581443737 /nfs/dbraw/zinc/44/37/37/581443737.db2.gz IMDDQTAFIRRYTJ-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557821 581443739 /nfs/dbraw/zinc/44/37/39/581443739.db2.gz IMDDQTAFIRRYTJ-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO N#CCn1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000786850356 581450450 /nfs/dbraw/zinc/45/04/50/581450450.db2.gz OIPSDMWDUDGRTG-SNVBAGLBSA-N 1 2 270.296 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(CC)[nH]1 ZINC000765237435 581507097 /nfs/dbraw/zinc/50/70/97/581507097.db2.gz ZFIMHXRWNNXIQB-MNOVXSKESA-N 1 2 275.356 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(CC)[nH]1 ZINC000765237435 581507098 /nfs/dbraw/zinc/50/70/98/581507098.db2.gz ZFIMHXRWNNXIQB-MNOVXSKESA-N 1 2 275.356 0.642 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)OC ZINC000752778202 581516786 /nfs/dbraw/zinc/51/67/86/581516786.db2.gz KUDHTNMCLBASQW-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)OC ZINC000752778202 581516790 /nfs/dbraw/zinc/51/67/90/581516790.db2.gz KUDHTNMCLBASQW-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000733674697 581517364 /nfs/dbraw/zinc/51/73/64/581517364.db2.gz OXGIYGYHEUMNHW-UHFFFAOYSA-N 1 2 282.303 0.950 20 30 CCEDLO C[C@@H]1CC(N=NC2=NC(=O)C(=O)N2)C[N@@H+]1Cc1ccccc1 ZINC000765594354 581528415 /nfs/dbraw/zinc/52/84/15/581528415.db2.gz PJTGBGUITHUJNC-SNVBAGLBSA-N 1 2 299.334 0.239 20 30 CCEDLO C[C@@H]1CC(N=NC2=NC(=O)C(=O)N2)C[N@H+]1Cc1ccccc1 ZINC000765594354 581528417 /nfs/dbraw/zinc/52/84/17/581528417.db2.gz PJTGBGUITHUJNC-SNVBAGLBSA-N 1 2 299.334 0.239 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000753378270 581537559 /nfs/dbraw/zinc/53/75/59/581537559.db2.gz FYZRASQALXIQGL-LBPRGKRZSA-N 1 2 276.340 0.949 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000753680863 581551042 /nfs/dbraw/zinc/55/10/42/581551042.db2.gz XSGFVORMOXZJFC-UHFFFAOYSA-N 1 2 297.314 0.859 20 30 CCEDLO C[NH+](C)CCCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000729522049 581601878 /nfs/dbraw/zinc/60/18/78/581601878.db2.gz GOAYWHUCKVPAJV-UHFFFAOYSA-N 1 2 260.301 0.823 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000754843107 581612586 /nfs/dbraw/zinc/61/25/86/581612586.db2.gz NOMGAQNNNXIBBO-UHFFFAOYSA-N 1 2 282.294 0.749 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC000739870904 581630485 /nfs/dbraw/zinc/63/04/85/581630485.db2.gz LSNARKUSGYCRAQ-SNVBAGLBSA-N 1 2 269.374 0.921 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC000739870904 581630486 /nfs/dbraw/zinc/63/04/86/581630486.db2.gz LSNARKUSGYCRAQ-SNVBAGLBSA-N 1 2 269.374 0.921 20 30 CCEDLO CC(C)(C)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755497930 581642485 /nfs/dbraw/zinc/64/24/85/581642485.db2.gz CUIDYIGHMVFUPP-UHFFFAOYSA-N 1 2 272.418 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC(C)C ZINC000730285411 581692461 /nfs/dbraw/zinc/69/24/61/581692461.db2.gz PNYXYXMSJQEZEO-NSHDSACASA-N 1 2 252.314 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OC(C)C ZINC000730285411 581692464 /nfs/dbraw/zinc/69/24/64/581692464.db2.gz PNYXYXMSJQEZEO-NSHDSACASA-N 1 2 252.314 0.152 20 30 CCEDLO C[C@H]1CC(=NNc2nc(=O)c3cnn(C)c3[nH]2)C[N@@H+]1C ZINC000769817391 581708692 /nfs/dbraw/zinc/70/86/92/581708692.db2.gz MCQLZIJXQTZXRO-ZETCQYMHSA-N 1 2 275.316 0.561 20 30 CCEDLO C[C@H]1CC(=NNc2nc(=O)c3cnn(C)c3[nH]2)C[N@H+]1C ZINC000769817391 581708695 /nfs/dbraw/zinc/70/86/95/581708695.db2.gz MCQLZIJXQTZXRO-ZETCQYMHSA-N 1 2 275.316 0.561 20 30 CCEDLO Cc1ccn(C[N@@H+](C)Cc2cnn(C)c2)c(=O)c1C#N ZINC000758204414 581726952 /nfs/dbraw/zinc/72/69/52/581726952.db2.gz IYQHAADOTCYDFW-UHFFFAOYSA-N 1 2 271.324 0.851 20 30 CCEDLO Cc1ccn(C[N@H+](C)Cc2cnn(C)c2)c(=O)c1C#N ZINC000758204414 581726955 /nfs/dbraw/zinc/72/69/55/581726955.db2.gz IYQHAADOTCYDFW-UHFFFAOYSA-N 1 2 271.324 0.851 20 30 CCEDLO C#CCNC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000758209389 581727172 /nfs/dbraw/zinc/72/71/72/581727172.db2.gz JEYIDYLSSWJXAX-CYBMUJFWSA-N 1 2 299.465 0.292 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000741747701 581761320 /nfs/dbraw/zinc/76/13/20/581761320.db2.gz FWJVAQOTCXAYNE-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO NC(=O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000758898633 581774642 /nfs/dbraw/zinc/77/46/42/581774642.db2.gz OYLJWMPPQOYKBQ-UHFFFAOYSA-N 1 2 250.302 0.679 20 30 CCEDLO COc1ccc(O)c(/C=[NH+]/CCc2nnnn2C)c1 ZINC000771519890 581806571 /nfs/dbraw/zinc/80/65/71/581806571.db2.gz KDMQWQAJKWAGBA-MDWZMJQESA-N 1 2 261.285 0.586 20 30 CCEDLO N#CCNC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000732349126 581820459 /nfs/dbraw/zinc/82/04/59/581820459.db2.gz AQNLWVDXBULLGW-UHFFFAOYSA-N 1 2 258.237 0.131 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@@H]2CCCOC2)CC1 ZINC000772115970 581843755 /nfs/dbraw/zinc/84/37/55/581843755.db2.gz KZJUBGCCYAWPCM-CQSZACIVSA-N 1 2 293.363 0.871 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000760640481 581868276 /nfs/dbraw/zinc/86/82/76/581868276.db2.gz FXSGRMVLQNVDJW-QHRIQVFBSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000760640481 581868279 /nfs/dbraw/zinc/86/82/79/581868279.db2.gz FXSGRMVLQNVDJW-QHRIQVFBSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)o2)CC1 ZINC000773290604 581920555 /nfs/dbraw/zinc/92/05/55/581920555.db2.gz PNJXJMBGKZDHBV-UHFFFAOYSA-N 1 2 282.365 0.918 20 30 CCEDLO CC(C)C1(O)C[NH+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000773891470 581945835 /nfs/dbraw/zinc/94/58/35/581945835.db2.gz YXALVBQPLMMNNB-NSHDSACASA-N 1 2 253.346 0.450 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000747835888 581954517 /nfs/dbraw/zinc/95/45/17/581954517.db2.gz GZTPEMDYTPGPNQ-UHFFFAOYSA-N 1 2 261.281 0.291 20 30 CCEDLO N#Cc1cccc(OCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000748323366 581968415 /nfs/dbraw/zinc/96/84/15/581968415.db2.gz YUNKLCXGIAXRBJ-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO N#Cc1cccc(OCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000748323366 581968418 /nfs/dbraw/zinc/96/84/18/581968418.db2.gz YUNKLCXGIAXRBJ-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNCC(C)(C)S(C)(=O)=O ZINC000774477500 581975726 /nfs/dbraw/zinc/97/57/26/581975726.db2.gz MUOXKOZQONOARL-SNVBAGLBSA-N 1 2 287.429 0.869 20 30 CCEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNCC(C)(C)S(C)(=O)=O ZINC000774477500 581975728 /nfs/dbraw/zinc/97/57/28/581975728.db2.gz MUOXKOZQONOARL-SNVBAGLBSA-N 1 2 287.429 0.869 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncnc2CC)CC1 ZINC000749651948 582016393 /nfs/dbraw/zinc/01/63/93/582016393.db2.gz BFOSHHPMYAWILY-UHFFFAOYSA-N 1 2 272.352 0.820 20 30 CCEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000775804491 582040148 /nfs/dbraw/zinc/04/01/48/582040148.db2.gz AAZRUEIZKMFUBN-ZNMIVQPWSA-N 1 2 283.331 0.855 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCCO1 ZINC000775800095 582040325 /nfs/dbraw/zinc/04/03/25/582040325.db2.gz QTLSDMNFBQQDOC-GHMZBOCLSA-N 1 2 287.323 0.339 20 30 CCEDLO C#CCOCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000764887177 582074764 /nfs/dbraw/zinc/07/47/64/582074764.db2.gz OQTLDNNGJWBCNR-ZDUSSCGKSA-N 1 2 290.367 0.890 20 30 CCEDLO C#CCOCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000764887177 582074767 /nfs/dbraw/zinc/07/47/67/582074767.db2.gz OQTLDNNGJWBCNR-ZDUSSCGKSA-N 1 2 290.367 0.890 20 30 CCEDLO C#CCOCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972682 612981772 /nfs/dbraw/zinc/98/17/72/612981772.db2.gz GBHBFQFTBARYQB-ZIAGYGMSSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972682 612981774 /nfs/dbraw/zinc/98/17/74/612981774.db2.gz GBHBFQFTBARYQB-ZIAGYGMSSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766610 612984153 /nfs/dbraw/zinc/98/41/53/612984153.db2.gz AQMISEZBJUFHKG-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766610 612984155 /nfs/dbraw/zinc/98/41/55/612984155.db2.gz AQMISEZBJUFHKG-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000883321630 612947206 /nfs/dbraw/zinc/94/72/06/612947206.db2.gz HLDJNPGDLJBZIA-UHFFFAOYSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000883321630 612947207 /nfs/dbraw/zinc/94/72/07/612947207.db2.gz HLDJNPGDLJBZIA-UHFFFAOYSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(F)CCC2)CC1 ZINC000913969214 613011994 /nfs/dbraw/zinc/01/19/94/613011994.db2.gz JPTSXHCWIPPYAP-UHFFFAOYSA-N 1 2 288.388 0.849 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103686 612948096 /nfs/dbraw/zinc/94/80/96/612948096.db2.gz IOBYISADRGXMLK-LLVKDONJSA-N 1 2 288.347 0.897 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103686 612948097 /nfs/dbraw/zinc/94/80/97/612948097.db2.gz IOBYISADRGXMLK-LLVKDONJSA-N 1 2 288.347 0.897 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853774755 613016847 /nfs/dbraw/zinc/01/68/47/613016847.db2.gz NJPYLQBZECXNNY-QWHCGFSZSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853774755 613016849 /nfs/dbraw/zinc/01/68/49/613016849.db2.gz NJPYLQBZECXNNY-QWHCGFSZSA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844139760 613058406 /nfs/dbraw/zinc/05/84/06/613058406.db2.gz DEWRRVWVAWZOFX-WCQYABFASA-N 1 2 261.325 0.336 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000850243639 613885866 /nfs/dbraw/zinc/88/58/66/613885866.db2.gz DQSVDYXFSNFLPW-UHFFFAOYSA-N 1 2 257.359 0.717 20 30 CCEDLO C=CCS(=O)(=O)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000850243639 613885867 /nfs/dbraw/zinc/88/58/67/613885867.db2.gz DQSVDYXFSNFLPW-UHFFFAOYSA-N 1 2 257.359 0.717 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000838703511 613884034 /nfs/dbraw/zinc/88/40/34/613884034.db2.gz KUEDBMTUPAAONC-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000838703511 613884035 /nfs/dbraw/zinc/88/40/35/613884035.db2.gz KUEDBMTUPAAONC-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932381128 614072260 /nfs/dbraw/zinc/07/22/60/614072260.db2.gz OJHBSBOGYNCPRC-MCIONIFRSA-N 1 2 295.383 0.531 20 30 CCEDLO CC(CS(C)(=O)=O)=NNCCCn1cc[nH+]c1 ZINC000848418014 614381603 /nfs/dbraw/zinc/38/16/03/614381603.db2.gz IFTHUMIZHBZDNA-UHFFFAOYSA-N 1 2 258.347 0.283 20 30 CCEDLO COc1ccc(N2CC[NH+](C[C@H](O)CC#N)CC2)nc1 ZINC000930667257 617268006 /nfs/dbraw/zinc/26/80/06/617268006.db2.gz PNIANEKXEWRYTC-GFCCVEGCSA-N 1 2 276.340 0.487 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000801911761 617297475 /nfs/dbraw/zinc/29/74/75/617297475.db2.gz BQWNKFSHTHIVOW-STQMWFEESA-N 1 2 281.356 0.238 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000890525127 612957677 /nfs/dbraw/zinc/95/76/77/612957677.db2.gz MDHWSZULDHXIHZ-QWHCGFSZSA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000890525127 612957681 /nfs/dbraw/zinc/95/76/81/612957681.db2.gz MDHWSZULDHXIHZ-QWHCGFSZSA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000826710412 612964966 /nfs/dbraw/zinc/96/49/66/612964966.db2.gz MBYYYNGKSBHHLZ-UHFFFAOYSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CC1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000826710412 612964967 /nfs/dbraw/zinc/96/49/67/612964967.db2.gz MBYYYNGKSBHHLZ-UHFFFAOYSA-N 1 2 299.378 0.605 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000807287200 612967814 /nfs/dbraw/zinc/96/78/14/612967814.db2.gz FRUQRZWARKHWAV-ZDUSSCGKSA-N 1 2 255.321 0.977 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875316731 612981869 /nfs/dbraw/zinc/98/18/69/612981869.db2.gz HKYYNTIGNWDUKU-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875316731 612981870 /nfs/dbraw/zinc/98/18/70/612981870.db2.gz HKYYNTIGNWDUKU-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000879156812 612984548 /nfs/dbraw/zinc/98/45/48/612984548.db2.gz YLRRIGDEKTUQKK-AAEUAGOBSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000879156812 612984550 /nfs/dbraw/zinc/98/45/50/612984550.db2.gz YLRRIGDEKTUQKK-AAEUAGOBSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897373828 612988719 /nfs/dbraw/zinc/98/87/19/612988719.db2.gz WHFZKEYAWLFRTQ-CYBMUJFWSA-N 1 2 276.340 0.556 20 30 CCEDLO C#CCOCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897373828 612988720 /nfs/dbraw/zinc/98/87/20/612988720.db2.gz WHFZKEYAWLFRTQ-CYBMUJFWSA-N 1 2 276.340 0.556 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnn2)C1 ZINC000956996768 612992386 /nfs/dbraw/zinc/99/23/86/612992386.db2.gz CAJANOKHYPCZHR-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(C)n2)C1 ZINC000957402073 612992549 /nfs/dbraw/zinc/99/25/49/612992549.db2.gz LKAZDYOIOMVITP-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2C)C1 ZINC000949682101 612992803 /nfs/dbraw/zinc/99/28/03/612992803.db2.gz ZJNIBNONVWOHGH-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(C)cn2)C1 ZINC000949601769 612992816 /nfs/dbraw/zinc/99/28/16/612992816.db2.gz UEFZPYUMPGSWRK-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCO[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000835330040 612998025 /nfs/dbraw/zinc/99/80/25/612998025.db2.gz OVHFSKYYXHXFIY-NSHDSACASA-N 1 2 250.298 0.934 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000830786679 612998864 /nfs/dbraw/zinc/99/88/64/612998864.db2.gz AAGVLJZGYYOKBN-CHWSQXEVSA-N 1 2 268.357 0.204 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000868472783 613024278 /nfs/dbraw/zinc/02/42/78/613024278.db2.gz IHKOYVVRFYOMCE-AWEZNQCLSA-N 1 2 283.331 0.915 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924789106 613026326 /nfs/dbraw/zinc/02/63/26/613026326.db2.gz RUZFEXUIASEIPM-JTQLQIEISA-N 1 2 296.396 0.388 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000854909567 613041181 /nfs/dbraw/zinc/04/11/81/613041181.db2.gz CUKLBJUDGWWMAH-WDEREUQCSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894854378 613043417 /nfs/dbraw/zinc/04/34/17/613043417.db2.gz IIQOLBOTMUVDAA-QEHJDLSMSA-N 1 2 263.337 0.954 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858949264 613050484 /nfs/dbraw/zinc/05/04/84/613050484.db2.gz LZGFSTLSLSKWHZ-NWDGAFQWSA-N 1 2 254.330 0.845 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000863782541 613052187 /nfs/dbraw/zinc/05/21/87/613052187.db2.gz VOYKIIPQEPLTDK-CHWSQXEVSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921487157 613055027 /nfs/dbraw/zinc/05/50/27/613055027.db2.gz CJZCIXWBPBLETP-GFCCVEGCSA-N 1 2 272.308 0.518 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000799074493 613058454 /nfs/dbraw/zinc/05/84/54/613058454.db2.gz JUJVBBPNHKECIO-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875927986 613064980 /nfs/dbraw/zinc/06/49/80/613064980.db2.gz NYNVOJGCUYIFFT-MNOVXSKESA-N 1 2 262.313 0.145 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867760362 613084591 /nfs/dbraw/zinc/08/45/91/613084591.db2.gz CFPFMQZOHWKTBF-IYNGYCSASA-N 1 2 250.342 0.793 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC000935800379 613097981 /nfs/dbraw/zinc/09/79/81/613097981.db2.gz HZPKEYQAUOUOSJ-KFWWJZLASA-N 1 2 294.395 0.640 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000941376230 613115688 /nfs/dbraw/zinc/11/56/88/613115688.db2.gz UMOKCLKRWPGXOY-CQSZACIVSA-N 1 2 275.396 0.494 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)[C@H]1CCCO1 ZINC000865531101 613150876 /nfs/dbraw/zinc/15/08/76/613150876.db2.gz GOGMPNFUQVFNQJ-QLFBSQMISA-N 1 2 290.367 0.728 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cnc(C(=O)OC)cn1)[C@@H]1CCCO1 ZINC000859258453 613150938 /nfs/dbraw/zinc/15/09/38/613150938.db2.gz OIWXJRLSLZVMSQ-AAEUAGOBSA-N 1 2 275.308 0.534 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)P(=O)(OCC)OCC ZINC000852162424 613163026 /nfs/dbraw/zinc/16/30/26/613163026.db2.gz JSOGDPVLXYRJAK-NWDGAFQWSA-N 1 2 291.284 0.905 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)P(=O)(OCC)OCC ZINC000852162424 613163028 /nfs/dbraw/zinc/16/30/28/613163028.db2.gz JSOGDPVLXYRJAK-NWDGAFQWSA-N 1 2 291.284 0.905 20 30 CCEDLO C#C[C@](C)(CC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000821004992 613163821 /nfs/dbraw/zinc/16/38/21/613163821.db2.gz VZSYEJWVIYLWLP-IJEWVQPXSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000923565389 613175154 /nfs/dbraw/zinc/17/51/54/613175154.db2.gz AUEPOXKTUNPXOA-SNVBAGLBSA-N 1 2 291.311 0.156 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000923565389 613175155 /nfs/dbraw/zinc/17/51/55/613175155.db2.gz AUEPOXKTUNPXOA-SNVBAGLBSA-N 1 2 291.311 0.156 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000974932296 613191322 /nfs/dbraw/zinc/19/13/22/613191322.db2.gz UHJPXGBYEQBTGW-AWEZNQCLSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000974932296 613191323 /nfs/dbraw/zinc/19/13/23/613191323.db2.gz UHJPXGBYEQBTGW-AWEZNQCLSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)C2CC2)C1 ZINC000885511282 613193083 /nfs/dbraw/zinc/19/30/83/613193083.db2.gz DZLIZOJCGNXWSX-NSHDSACASA-N 1 2 271.386 0.013 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)C2CC2)C1 ZINC000885511282 613193084 /nfs/dbraw/zinc/19/30/84/613193084.db2.gz DZLIZOJCGNXWSX-NSHDSACASA-N 1 2 271.386 0.013 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C(F)F)no1 ZINC000868942739 613200455 /nfs/dbraw/zinc/20/04/55/613200455.db2.gz GYUOXPPEULVLNW-QMMMGPOBSA-N 1 2 284.266 0.721 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C(F)F)no1 ZINC000868942739 613200458 /nfs/dbraw/zinc/20/04/58/613200458.db2.gz GYUOXPPEULVLNW-QMMMGPOBSA-N 1 2 284.266 0.721 20 30 CCEDLO C#CCN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000105322299 613204823 /nfs/dbraw/zinc/20/48/23/613204823.db2.gz VFCLFFUQWVCDRJ-UHFFFAOYSA-N 1 2 260.341 0.441 20 30 CCEDLO C#Cc1cccnc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000853370038 613208393 /nfs/dbraw/zinc/20/83/93/613208393.db2.gz XPQCKXJBEXAXCP-IBGZPJMESA-N 1 2 277.393 0.563 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2CC)CC1 ZINC000908880641 613209521 /nfs/dbraw/zinc/20/95/21/613209521.db2.gz AHNOASFEKRIHNS-UHFFFAOYSA-N 1 2 287.327 0.103 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972217684 613210992 /nfs/dbraw/zinc/21/09/92/613210992.db2.gz GMOKXZULDKFRBR-INIZCTEOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972217684 613210993 /nfs/dbraw/zinc/21/09/93/613210993.db2.gz GMOKXZULDKFRBR-INIZCTEOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230326 613211068 /nfs/dbraw/zinc/21/10/68/613211068.db2.gz KRVKBHRTKHRJJN-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230326 613211070 /nfs/dbraw/zinc/21/10/70/613211070.db2.gz KRVKBHRTKHRJJN-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972338463 613212879 /nfs/dbraw/zinc/21/28/79/613212879.db2.gz GIGYGWXIQYSLIG-CZUORRHYSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972338463 613212880 /nfs/dbraw/zinc/21/28/80/613212880.db2.gz GIGYGWXIQYSLIG-CZUORRHYSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972594680 613213410 /nfs/dbraw/zinc/21/34/10/613213410.db2.gz UNKHQRJAAHRXRL-OAHLLOKOSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c[nH]3)C2)C1 ZINC000972594680 613213412 /nfs/dbraw/zinc/21/34/12/613213412.db2.gz UNKHQRJAAHRXRL-OAHLLOKOSA-N 1 2 288.351 0.268 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)c1 ZINC000874706649 613217019 /nfs/dbraw/zinc/21/70/19/613217019.db2.gz VCNQJRZGBCHBPP-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)c1 ZINC000874706649 613217020 /nfs/dbraw/zinc/21/70/20/613217020.db2.gz VCNQJRZGBCHBPP-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000942599536 613243376 /nfs/dbraw/zinc/24/33/76/613243376.db2.gz BEDMVUJJOTWAOS-MWLCHTKSSA-N 1 2 264.304 0.622 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000942599536 613243377 /nfs/dbraw/zinc/24/33/77/613243377.db2.gz BEDMVUJJOTWAOS-MWLCHTKSSA-N 1 2 264.304 0.622 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000811762869 613282514 /nfs/dbraw/zinc/28/25/14/613282514.db2.gz WANCYIAGOBKQGB-AWEZNQCLSA-N 1 2 297.355 0.716 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000811762869 613282515 /nfs/dbraw/zinc/28/25/15/613282515.db2.gz WANCYIAGOBKQGB-AWEZNQCLSA-N 1 2 297.355 0.716 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000811762870 613282519 /nfs/dbraw/zinc/28/25/19/613282519.db2.gz WANCYIAGOBKQGB-CQSZACIVSA-N 1 2 297.355 0.716 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O ZINC000811762870 613282520 /nfs/dbraw/zinc/28/25/20/613282520.db2.gz WANCYIAGOBKQGB-CQSZACIVSA-N 1 2 297.355 0.716 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000950055879 613294900 /nfs/dbraw/zinc/29/49/00/613294900.db2.gz PBSRLYQMLXCNHY-VXGBXAGGSA-N 1 2 267.329 0.760 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000951364909 613315473 /nfs/dbraw/zinc/31/54/73/613315473.db2.gz XDSJXZTZUIPVIJ-CQSZACIVSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC000957476515 613321726 /nfs/dbraw/zinc/32/17/26/613321726.db2.gz GJRAJZQNWYUMER-UHFFFAOYSA-N 1 2 278.356 0.763 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCCC2 ZINC000960731978 613322027 /nfs/dbraw/zinc/32/20/27/613322027.db2.gz QNKWPFRSVRGJGO-IMRBUKKESA-N 1 2 284.363 0.582 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc2c1CCCC2 ZINC000960731978 613322028 /nfs/dbraw/zinc/32/20/28/613322028.db2.gz QNKWPFRSVRGJGO-IMRBUKKESA-N 1 2 284.363 0.582 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000800408274 613328185 /nfs/dbraw/zinc/32/81/85/613328185.db2.gz OBZYYGDXDFXMTL-UHFFFAOYSA-N 1 2 282.347 0.688 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000917138057 613329091 /nfs/dbraw/zinc/32/90/91/613329091.db2.gz SASNMOLIAIAOJI-SNVBAGLBSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000917138057 613329092 /nfs/dbraw/zinc/32/90/92/613329092.db2.gz SASNMOLIAIAOJI-SNVBAGLBSA-N 1 2 278.274 0.779 20 30 CCEDLO C=C(C)CONC(=O)N1CC[NH+](CCOC)CC1 ZINC000845590996 613352828 /nfs/dbraw/zinc/35/28/28/613352828.db2.gz XVHXHXHECOCARS-UHFFFAOYSA-N 1 2 257.334 0.468 20 30 CCEDLO C=C(C)CONC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000845596257 613353719 /nfs/dbraw/zinc/35/37/19/613353719.db2.gz SODUCVPNDAMNLQ-GFCCVEGCSA-N 1 2 270.377 0.429 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922734746 613354380 /nfs/dbraw/zinc/35/43/80/613354380.db2.gz HWVDGLXKJFBSNJ-SSUFTNFISA-N 1 2 282.384 0.708 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000883739320 613354822 /nfs/dbraw/zinc/35/48/22/613354822.db2.gz WDWKYKSJXHBIBP-LBPRGKRZSA-N 1 2 266.345 0.589 20 30 CCEDLO C=C(C)C[C@@H](CO)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882845729 613355504 /nfs/dbraw/zinc/35/55/04/613355504.db2.gz VUDPFALSSGVUNP-NSHDSACASA-N 1 2 273.358 0.130 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883143698 613357790 /nfs/dbraw/zinc/35/77/90/613357790.db2.gz SHBCQLZOKICBNU-VXGBXAGGSA-N 1 2 266.345 0.898 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970759546 613371556 /nfs/dbraw/zinc/37/15/56/613371556.db2.gz IDQLREPIDBMZPT-KOLCDFICSA-N 1 2 285.775 0.454 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000969247904 613371796 /nfs/dbraw/zinc/37/17/96/613371796.db2.gz ZFPJKEJKZWXUFI-SECBINFHSA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970340410 613372414 /nfs/dbraw/zinc/37/24/14/613372414.db2.gz PCXBGPYGCAMPSG-VIFPVBQESA-N 1 2 296.758 0.573 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982190327 613373443 /nfs/dbraw/zinc/37/34/43/613373443.db2.gz LHIUUODEWADTKD-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000982190327 613373444 /nfs/dbraw/zinc/37/34/44/613373444.db2.gz LHIUUODEWADTKD-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980963847 613373802 /nfs/dbraw/zinc/37/38/02/613373802.db2.gz FYSFOSNZWKRBOQ-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000980963847 613373803 /nfs/dbraw/zinc/37/38/03/613373803.db2.gz FYSFOSNZWKRBOQ-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981391850 613373864 /nfs/dbraw/zinc/37/38/64/613373864.db2.gz WAZMDGWMGVXWCB-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000981391850 613373865 /nfs/dbraw/zinc/37/38/65/613373865.db2.gz WAZMDGWMGVXWCB-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516766 613377507 /nfs/dbraw/zinc/37/75/07/613377507.db2.gz FITDZYPMVCJOPP-ONGXEEELSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000968516766 613377508 /nfs/dbraw/zinc/37/75/08/613377508.db2.gz FITDZYPMVCJOPP-ONGXEEELSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000964964744 613377699 /nfs/dbraw/zinc/37/76/99/613377699.db2.gz NNSVNFQVANSWCC-ONGXEEELSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000964964744 613377700 /nfs/dbraw/zinc/37/77/00/613377700.db2.gz NNSVNFQVANSWCC-ONGXEEELSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958498901 613380930 /nfs/dbraw/zinc/38/09/30/613380930.db2.gz IYFXCKFXDNXYEB-QWRGUYRKSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958498901 613380931 /nfs/dbraw/zinc/38/09/31/613380931.db2.gz IYFXCKFXDNXYEB-QWRGUYRKSA-N 1 2 296.758 0.252 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000878662009 613397854 /nfs/dbraw/zinc/39/78/54/613397854.db2.gz KBEDLAYLEFRRGW-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[C@@H]([NH2+]CCC1(O)CCOCC1)C(=O)OC ZINC000905768449 613405555 /nfs/dbraw/zinc/40/55/55/613405555.db2.gz YMQQKBJOISTVBZ-LLVKDONJSA-N 1 2 257.330 0.625 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCNC(=O)C(C)C ZINC000878333677 613409663 /nfs/dbraw/zinc/40/96/63/613409663.db2.gz AZBXYHYOTGARKK-LLVKDONJSA-N 1 2 256.346 0.808 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCNC(=O)C(C)C ZINC000878333677 613409664 /nfs/dbraw/zinc/40/96/64/613409664.db2.gz AZBXYHYOTGARKK-LLVKDONJSA-N 1 2 256.346 0.808 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933579707 613441283 /nfs/dbraw/zinc/44/12/83/613441283.db2.gz IHTWOPBWHXRLDK-LBPRGKRZSA-N 1 2 281.356 0.451 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875641780 613470741 /nfs/dbraw/zinc/47/07/41/613470741.db2.gz KBGXDKKJNHBOHL-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875641780 613470742 /nfs/dbraw/zinc/47/07/42/613470742.db2.gz KBGXDKKJNHBOHL-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO CC#CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000801138779 613519173 /nfs/dbraw/zinc/51/91/73/613519173.db2.gz VNDTXQMBVWZNET-CYBMUJFWSA-N 1 2 268.382 0.334 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000957680437 613562700 /nfs/dbraw/zinc/56/27/00/613562700.db2.gz KJDCEOSLGRYONT-AWEZNQCLSA-N 1 2 264.369 0.971 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551751 613579118 /nfs/dbraw/zinc/57/91/18/613579118.db2.gz XUCZHWQVIUISGV-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551751 613579119 /nfs/dbraw/zinc/57/91/19/613579119.db2.gz XUCZHWQVIUISGV-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000842240120 613587299 /nfs/dbraw/zinc/58/72/99/613587299.db2.gz NOZIPFFSUKSNTG-SRVKXCTJSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000842240120 613587301 /nfs/dbraw/zinc/58/73/01/613587301.db2.gz NOZIPFFSUKSNTG-SRVKXCTJSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)nn1 ZINC000879041206 613598737 /nfs/dbraw/zinc/59/87/37/613598737.db2.gz NDMFFXVZKICUNA-CYBMUJFWSA-N 1 2 295.362 0.890 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(C#N)c2)nn1 ZINC000905836778 613645151 /nfs/dbraw/zinc/64/51/51/613645151.db2.gz JFXBXAXASDWDLM-UHFFFAOYSA-N 1 2 266.308 0.706 20 30 CCEDLO C=CC[N@H+](CCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975697 613650761 /nfs/dbraw/zinc/65/07/61/613650761.db2.gz IKWFVHKSJMKKSK-OLZOCXBDSA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[N@@H+](CCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975697 613650762 /nfs/dbraw/zinc/65/07/62/613650762.db2.gz IKWFVHKSJMKKSK-OLZOCXBDSA-N 1 2 289.397 0.467 20 30 CCEDLO CC(=[NH+]N[C@@H]1CCS(=O)(=O)C1)c1cc(N)ccc1F ZINC000814680520 613656777 /nfs/dbraw/zinc/65/67/77/613656777.db2.gz UOQJIPOSTODBJY-SNVBAGLBSA-N 1 2 285.344 0.909 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC000957627115 613709538 /nfs/dbraw/zinc/70/95/38/613709538.db2.gz CZTOWUBTUPEXJW-UHFFFAOYSA-N 1 2 262.357 0.899 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(=O)NC)nc2)CC1 ZINC000957365195 613715832 /nfs/dbraw/zinc/71/58/32/613715832.db2.gz CLPKYDKOTYXBFA-UHFFFAOYSA-N 1 2 288.351 0.385 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972517136 613723786 /nfs/dbraw/zinc/72/37/86/613723786.db2.gz BJBLYIXHOXIOPY-LSDHHAIUSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972517136 613723788 /nfs/dbraw/zinc/72/37/88/613723788.db2.gz BJBLYIXHOXIOPY-LSDHHAIUSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 ZINC000972293863 613727153 /nfs/dbraw/zinc/72/71/53/613727153.db2.gz GGWVWDCCAYYECH-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 ZINC000972293863 613727154 /nfs/dbraw/zinc/72/71/54/613727154.db2.gz GGWVWDCCAYYECH-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931951058 613845805 /nfs/dbraw/zinc/84/58/05/613845805.db2.gz PCMFGKMXVUKRDJ-JTQLQIEISA-N 1 2 250.302 0.470 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931951058 613845806 /nfs/dbraw/zinc/84/58/06/613845806.db2.gz PCMFGKMXVUKRDJ-JTQLQIEISA-N 1 2 250.302 0.470 20 30 CCEDLO C=CCNC(=O)[C@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933263727 613855201 /nfs/dbraw/zinc/85/52/01/613855201.db2.gz PWOWMYBIGDXXPZ-NSHDSACASA-N 1 2 262.357 0.952 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000884144062 613878045 /nfs/dbraw/zinc/87/80/45/613878045.db2.gz ZRGZKWOGONICOL-DCAQKATOSA-N 1 2 254.330 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000884165839 613877849 /nfs/dbraw/zinc/87/78/49/613877849.db2.gz PNIGVEXUNPIDHO-FZMZJTMJSA-N 1 2 282.340 0.072 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000884470795 613877891 /nfs/dbraw/zinc/87/78/91/613877891.db2.gz AQJLCCHMSNAFEW-SRVKXCTJSA-N 1 2 298.408 0.645 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(CC=C)CCOCC1 ZINC000884406448 613877973 /nfs/dbraw/zinc/87/79/73/613877973.db2.gz VKBNRPMBIORWEY-LBPRGKRZSA-N 1 2 296.367 0.675 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CC)CC1 ZINC000884133878 613878217 /nfs/dbraw/zinc/87/82/17/613878217.db2.gz NXSCGFDDDJZLQS-JTQLQIEISA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C)o1 ZINC000884463923 613878358 /nfs/dbraw/zinc/87/83/58/613878358.db2.gz XASGYPWKKGVAGC-NSHDSACASA-N 1 2 266.297 0.651 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000884406937 613878378 /nfs/dbraw/zinc/87/83/78/613878378.db2.gz MFAHEXPSRFTVDU-VOAKCMCISA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)cc1 ZINC000884047609 613878386 /nfs/dbraw/zinc/87/83/86/613878386.db2.gz BWQFRIBFAUUZFB-LBPRGKRZSA-N 1 2 280.299 0.889 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000884331878 613878439 /nfs/dbraw/zinc/87/84/39/613878439.db2.gz ZJEBFGWRMLOAGA-WOPDTQHZSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1C ZINC000884127664 613878488 /nfs/dbraw/zinc/87/84/88/613878488.db2.gz JUQPGKAUIBNOQV-GARJFASQSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000884173713 613878660 /nfs/dbraw/zinc/87/86/60/613878660.db2.gz CJORFZAFLUESFA-WUHRBBMRSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000884145660 613878799 /nfs/dbraw/zinc/87/87/99/613878799.db2.gz PJNQOYRBJAWFKZ-DNIRFERGSA-N 1 2 296.367 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)[C@@H]1CCCCO1 ZINC000884393101 613878846 /nfs/dbraw/zinc/87/88/46/613878846.db2.gz VEUQMFXSTMQKAP-XQQFMLRXSA-N 1 2 298.383 0.897 20 30 CCEDLO C=CCOCC[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880340556 613881253 /nfs/dbraw/zinc/88/12/53/613881253.db2.gz GGBWMBLAXJELGN-LBPRGKRZSA-N 1 2 257.330 0.747 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000854117566 613883919 /nfs/dbraw/zinc/88/39/19/613883919.db2.gz HHUOOQOIRIEWJA-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000854117566 613883920 /nfs/dbraw/zinc/88/39/20/613883920.db2.gz HHUOOQOIRIEWJA-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857865543 613885920 /nfs/dbraw/zinc/88/59/20/613885920.db2.gz NYWQXFUGSZFBRD-LLVKDONJSA-N 1 2 269.370 0.978 20 30 CCEDLO CC(C)S(=O)(=O)CC[NH2+]C[C@H](C#N)CCC#N ZINC000819317534 614067853 /nfs/dbraw/zinc/06/78/53/614067853.db2.gz QUJJOYAIQOOKNC-NSHDSACASA-N 1 2 257.359 0.843 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886012444 614501206 /nfs/dbraw/zinc/50/12/06/614501206.db2.gz HZKJYWGMGKNKPV-NSHDSACASA-N 1 2 265.357 0.642 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886012444 614501210 /nfs/dbraw/zinc/50/12/10/614501210.db2.gz HZKJYWGMGKNKPV-NSHDSACASA-N 1 2 265.357 0.642 20 30 CCEDLO CC1(C)OC[C@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000851798177 614832907 /nfs/dbraw/zinc/83/29/07/614832907.db2.gz OTLYLVLRWSMVFK-AWEZNQCLSA-N 1 2 297.399 0.686 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932930020 615021302 /nfs/dbraw/zinc/02/13/02/615021302.db2.gz UALRDLLIDOXLAI-UHFFFAOYSA-N 1 2 278.356 0.231 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932930020 615021306 /nfs/dbraw/zinc/02/13/06/615021306.db2.gz UALRDLLIDOXLAI-UHFFFAOYSA-N 1 2 278.356 0.231 20 30 CCEDLO CCN(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@H](C)C#N ZINC000853580928 615061246 /nfs/dbraw/zinc/06/12/46/615061246.db2.gz SOFBAUXBQQUWPG-NEPJUHHUSA-N 1 2 275.356 0.927 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCO[C@H](C)C#N)C1 ZINC000805471893 615172235 /nfs/dbraw/zinc/17/22/35/615172235.db2.gz XAMBEGIPWRGJBH-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCO[C@H](C)C#N)C1 ZINC000805471893 615172236 /nfs/dbraw/zinc/17/22/36/615172236.db2.gz XAMBEGIPWRGJBH-GHMZBOCLSA-N 1 2 256.302 0.179 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874710099 615365336 /nfs/dbraw/zinc/36/53/36/615365336.db2.gz FHUMXYRLRXQBFE-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874710099 615365341 /nfs/dbraw/zinc/36/53/41/615365341.db2.gz FHUMXYRLRXQBFE-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)C1CCOCC1 ZINC000801941366 615368252 /nfs/dbraw/zinc/36/82/52/615368252.db2.gz MQKWBAKNURLDED-DGCLKSJQSA-N 1 2 284.356 0.863 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C#N)c1 ZINC000928651488 615479520 /nfs/dbraw/zinc/47/95/20/615479520.db2.gz PXJXXQXOQPGDRL-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)[C@H](CC)CO1 ZINC000844388531 615563458 /nfs/dbraw/zinc/56/34/58/615563458.db2.gz SOTQSUXGHYZVIT-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)[C@H](CC)CO1 ZINC000844388531 615563459 /nfs/dbraw/zinc/56/34/59/615563459.db2.gz SOTQSUXGHYZVIT-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC#N ZINC000922229470 615716606 /nfs/dbraw/zinc/71/66/06/615716606.db2.gz QVSJDJCKVSUGGM-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCCC#N ZINC000844384957 615920903 /nfs/dbraw/zinc/92/09/03/615920903.db2.gz YPVZWCAHSHDKBT-NSHDSACASA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCCC#N ZINC000844384957 615920906 /nfs/dbraw/zinc/92/09/06/615920906.db2.gz YPVZWCAHSHDKBT-NSHDSACASA-N 1 2 253.346 0.906 20 30 CCEDLO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CCC[C@@H]1C#N ZINC000877197967 615937228 /nfs/dbraw/zinc/93/72/28/615937228.db2.gz ZSMRNMJRVISJLJ-BXKDBHETSA-N 1 2 273.340 0.820 20 30 CCEDLO CN(C)c1cc(Cn2cc(CNCC#N)nn2)cc[nH+]1 ZINC000881366488 616006345 /nfs/dbraw/zinc/00/63/45/616006345.db2.gz GEKMIRCURBOJFH-UHFFFAOYSA-N 1 2 271.328 0.401 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931139984 616067501 /nfs/dbraw/zinc/06/75/01/616067501.db2.gz COHDNKLIITXDBP-NSHDSACASA-N 1 2 276.344 0.704 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931139984 616067502 /nfs/dbraw/zinc/06/75/02/616067502.db2.gz COHDNKLIITXDBP-NSHDSACASA-N 1 2 276.344 0.704 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNOCc1ccccc1 ZINC000818948544 616067788 /nfs/dbraw/zinc/06/77/88/616067788.db2.gz CAWLFNCYYLQUOO-CQSZACIVSA-N 1 2 263.341 0.914 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNOCc1ccccc1 ZINC000818948544 616067789 /nfs/dbraw/zinc/06/77/89/616067789.db2.gz CAWLFNCYYLQUOO-CQSZACIVSA-N 1 2 263.341 0.914 20 30 CCEDLO CN1C(=O)CN(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600648 616136189 /nfs/dbraw/zinc/13/61/89/616136189.db2.gz YIWCXPFBTLKTQR-UHFFFAOYSA-N 1 2 293.323 0.176 20 30 CCEDLO C[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000929099180 616220971 /nfs/dbraw/zinc/22/09/71/616220971.db2.gz AWSCHWDHYPGELD-UHFFFAOYSA-N 1 2 253.371 0.797 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](CO)C1 ZINC000912739807 616230277 /nfs/dbraw/zinc/23/02/77/616230277.db2.gz HTCSFIIYRYOZNW-OAHLLOKOSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](CO)C1 ZINC000912739807 616230278 /nfs/dbraw/zinc/23/02/78/616230278.db2.gz HTCSFIIYRYOZNW-OAHLLOKOSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000921413021 616304011 /nfs/dbraw/zinc/30/40/11/616304011.db2.gz BGOCARRKBIVGBU-GFCCVEGCSA-N 1 2 279.365 0.735 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000921413021 616304014 /nfs/dbraw/zinc/30/40/14/616304014.db2.gz BGOCARRKBIVGBU-GFCCVEGCSA-N 1 2 279.365 0.735 20 30 CCEDLO COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895157243 616319553 /nfs/dbraw/zinc/31/95/53/616319553.db2.gz NWRLVVVBXMCFIA-SYTKJHMZSA-N 1 2 294.307 0.936 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000921412096 616432384 /nfs/dbraw/zinc/43/23/84/616432384.db2.gz FRKYKZUXRUKTCL-QMMMGPOBSA-N 1 2 271.367 0.602 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000921412096 616432387 /nfs/dbraw/zinc/43/23/87/616432387.db2.gz FRKYKZUXRUKTCL-QMMMGPOBSA-N 1 2 271.367 0.602 20 30 CCEDLO COCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755758323 616570877 /nfs/dbraw/zinc/57/08/77/616570877.db2.gz OQSRMQIFDQQBFN-UHFFFAOYSA-N 1 2 271.342 0.977 20 30 CCEDLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853525494 616645557 /nfs/dbraw/zinc/64/55/57/616645557.db2.gz WYRJNXNEDVKSNT-NEPJUHHUSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853525494 616645560 /nfs/dbraw/zinc/64/55/60/616645560.db2.gz WYRJNXNEDVKSNT-NEPJUHHUSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886310812 616712601 /nfs/dbraw/zinc/71/26/01/616712601.db2.gz VPUPUBDHKXQFSW-IJLUTSLNSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886310812 616712605 /nfs/dbraw/zinc/71/26/05/616712605.db2.gz VPUPUBDHKXQFSW-IJLUTSLNSA-N 1 2 282.340 0.039 20 30 CCEDLO CNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810534643 616777381 /nfs/dbraw/zinc/77/73/81/616777381.db2.gz ZBGQQXUSOHQRJA-ZANVPECISA-N 1 2 269.320 0.654 20 30 CCEDLO CNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810534643 616777384 /nfs/dbraw/zinc/77/73/84/616777384.db2.gz ZBGQQXUSOHQRJA-ZANVPECISA-N 1 2 269.320 0.654 20 30 CCEDLO COCCCNC(=S)NN=Cc1c[nH+]c(C)n1C ZINC000853270170 616906004 /nfs/dbraw/zinc/90/60/04/616906004.db2.gz LYOYJRKOMMVCIZ-UHFFFAOYSA-N 1 2 269.374 0.563 20 30 CCEDLO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524513 617093594 /nfs/dbraw/zinc/09/35/94/617093594.db2.gz NNEMLDGQGUOHLN-NEPJUHHUSA-N 1 2 251.330 0.817 20 30 CCEDLO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524513 617093595 /nfs/dbraw/zinc/09/35/95/617093595.db2.gz NNEMLDGQGUOHLN-NEPJUHHUSA-N 1 2 251.330 0.817 20 30 CCEDLO COC(=O)c1ccc(CO[NH+]=C(N)CCO)c(F)c1 ZINC000186792346 625428734 /nfs/dbraw/zinc/42/87/34/625428734.db2.gz PVFKPEJGFJVXLU-UHFFFAOYSA-N 1 2 270.260 0.784 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001022674500 622639086 /nfs/dbraw/zinc/63/90/86/622639086.db2.gz BSELIVZHMWFCES-PHIMTYICSA-N 1 2 290.371 0.303 20 30 CCEDLO NC(=NOCCCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161455598 622840086 /nfs/dbraw/zinc/84/00/86/622840086.db2.gz YADWIABEVDDUAG-CQSZACIVSA-N 1 2 293.367 0.559 20 30 CCEDLO NC(=NOCCCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161455598 622840090 /nfs/dbraw/zinc/84/00/90/622840090.db2.gz YADWIABEVDDUAG-CQSZACIVSA-N 1 2 293.367 0.559 20 30 CCEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023428113 623029578 /nfs/dbraw/zinc/02/95/78/623029578.db2.gz YVGGOIPNHRPDEL-JHJVBQTASA-N 1 2 287.367 0.865 20 30 CCEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023428113 623029581 /nfs/dbraw/zinc/02/95/81/623029581.db2.gz YVGGOIPNHRPDEL-JHJVBQTASA-N 1 2 287.367 0.865 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)cc1 ZINC001024591453 623384411 /nfs/dbraw/zinc/38/44/11/623384411.db2.gz DQJMQZOGSGVZSO-HNNXBMFYSA-N 1 2 299.374 0.738 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)cc1 ZINC001024591453 623384415 /nfs/dbraw/zinc/38/44/15/623384415.db2.gz DQJMQZOGSGVZSO-HNNXBMFYSA-N 1 2 299.374 0.738 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532024 623662062 /nfs/dbraw/zinc/66/20/62/623662062.db2.gz OOYQVZVHEVOHPJ-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532024 623662078 /nfs/dbraw/zinc/66/20/78/623662078.db2.gz OOYQVZVHEVOHPJ-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO O=C(NCC#CCO)N1CC[NH+](Cc2cccs2)CC1 ZINC000923788990 623677642 /nfs/dbraw/zinc/67/76/42/623677642.db2.gz RKQDOOIWRIPMCU-UHFFFAOYSA-N 1 2 293.392 0.571 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007707518 623858181 /nfs/dbraw/zinc/85/81/81/623858181.db2.gz SJMIKVHSSRFWOC-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000248863828 624535333 /nfs/dbraw/zinc/53/53/33/624535333.db2.gz SLJNKEHZPKPCND-KCPJHIHWSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000248863828 624535338 /nfs/dbraw/zinc/53/53/38/624535338.db2.gz SLJNKEHZPKPCND-KCPJHIHWSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000969981876 624568679 /nfs/dbraw/zinc/56/86/79/624568679.db2.gz QQIKMJPNPIDOHN-NWDGAFQWSA-N 1 2 287.367 0.406 20 30 CCEDLO O=C1C=COC2(CC[NH+](CN3CCOC3=S)CC2)C1 ZINC000902599837 634409855 /nfs/dbraw/zinc/40/98/55/634409855.db2.gz MJYWBHYYAJKPMC-UHFFFAOYSA-N 1 2 282.365 0.899 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000891554803 624884544 /nfs/dbraw/zinc/88/45/44/624884544.db2.gz BHHQXJNCZWBUCB-GFCCVEGCSA-N 1 2 263.301 0.207 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891902254 624989974 /nfs/dbraw/zinc/98/99/74/624989974.db2.gz RHUTYBXLRKNYSW-QWHCGFSZSA-N 1 2 283.347 0.761 20 30 CCEDLO Cc1cc2c(c(F)c1)NC(=O)C2=NNC1=[NH+]CCN1 ZINC000841659397 630903876 /nfs/dbraw/zinc/90/38/76/630903876.db2.gz OEBJXPNBIUNHAD-UHFFFAOYSA-N 1 2 261.260 0.339 20 30 CCEDLO N#CCN[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981352765 631271902 /nfs/dbraw/zinc/27/19/02/631271902.db2.gz FEZREUNVXQTVFU-QWRGUYRKSA-N 1 2 261.329 0.493 20 30 CCEDLO N#CCN1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981717985 631309772 /nfs/dbraw/zinc/30/97/72/631309772.db2.gz XCDHPNOXKLKZEF-UHFFFAOYSA-N 1 2 261.329 0.331 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(N)=O)CC2)s1 ZINC000981857050 631328754 /nfs/dbraw/zinc/32/87/54/631328754.db2.gz PQLXCHGKMJBPLG-UHFFFAOYSA-N 1 2 292.364 0.139 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(N)=O)CC2)s1 ZINC000981857050 631328759 /nfs/dbraw/zinc/32/87/59/631328759.db2.gz PQLXCHGKMJBPLG-UHFFFAOYSA-N 1 2 292.364 0.139 20 30 CCEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931943078 631371384 /nfs/dbraw/zinc/37/13/84/631371384.db2.gz UUVDLICARDBLHV-MJBXVCDLSA-N 1 2 295.383 0.627 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2nccn2CC(F)(F)F)CCCN1O ZINC000895165189 632000395 /nfs/dbraw/zinc/00/03/95/632000395.db2.gz KMFZHLHEWMTHMB-QMMMGPOBSA-N 1 2 292.261 0.915 20 30 CCEDLO N#Cc1nccnc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895254848 632040175 /nfs/dbraw/zinc/04/01/75/632040175.db2.gz YZGDPYVDBNHZBC-UHFFFAOYSA-N 1 2 275.312 0.209 20 30 CCEDLO N#Cc1nccnc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895254848 632040182 /nfs/dbraw/zinc/04/01/82/632040182.db2.gz YZGDPYVDBNHZBC-UHFFFAOYSA-N 1 2 275.312 0.209 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717757 632626122 /nfs/dbraw/zinc/62/61/22/632626122.db2.gz NDCPRKFSSNPNTO-UHFFFAOYSA-N 1 2 261.329 0.399 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022491 650099758 /nfs/dbraw/zinc/09/97/58/650099758.db2.gz DKQAJORELLUUCJ-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001008022491 650099759 /nfs/dbraw/zinc/09/97/59/650099759.db2.gz DKQAJORELLUUCJ-FZMZJTMJSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC000989446787 633257582 /nfs/dbraw/zinc/25/75/82/633257582.db2.gz ZQRKCOFMXCYXAG-ZDUSSCGKSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC000989446787 633257585 /nfs/dbraw/zinc/25/75/85/633257585.db2.gz ZQRKCOFMXCYXAG-ZDUSSCGKSA-N 1 2 277.368 0.022 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842573 650129213 /nfs/dbraw/zinc/12/92/13/650129213.db2.gz YCCWSCYIMYCUPR-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008842573 650129214 /nfs/dbraw/zinc/12/92/14/650129214.db2.gz YCCWSCYIMYCUPR-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO N#CCCN(CCN1CCOCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900455708 634024258 /nfs/dbraw/zinc/02/42/58/634024258.db2.gz AWBOYWFUMJFWEB-UHFFFAOYSA-N 1 2 291.355 0.027 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901322349 634232347 /nfs/dbraw/zinc/23/23/47/634232347.db2.gz GQGCJOWQBKDOAF-RNQWEJQRSA-N 1 2 282.384 0.566 20 30 CCEDLO N#CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906479600 635000921 /nfs/dbraw/zinc/00/09/21/635000921.db2.gz PHBOMFNHXZGZBH-UHFFFAOYSA-N 1 2 262.313 0.074 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)c[nH]1 ZINC001010690233 650253444 /nfs/dbraw/zinc/25/34/44/650253444.db2.gz OCDFJZQEQQBTIA-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)c[nH]1 ZINC001010690233 650253445 /nfs/dbraw/zinc/25/34/45/650253445.db2.gz OCDFJZQEQQBTIA-JTQLQIEISA-N 1 2 250.277 0.660 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912741357 636664526 /nfs/dbraw/zinc/66/45/26/636664526.db2.gz SRBUDNUHLWJELP-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912741357 636664529 /nfs/dbraw/zinc/66/45/29/636664529.db2.gz SRBUDNUHLWJELP-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874326 650276181 /nfs/dbraw/zinc/27/61/81/650276181.db2.gz GFKADFCXZSASPY-SNVBAGLBSA-N 1 2 284.747 0.864 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874326 650276187 /nfs/dbraw/zinc/27/61/87/650276187.db2.gz GFKADFCXZSASPY-SNVBAGLBSA-N 1 2 284.747 0.864 20 30 CCEDLO C[C@H]1CCc2n[nH]c(C(=O)NCC#CC[NH+](C)C)c2C1 ZINC000913524129 636833036 /nfs/dbraw/zinc/83/30/36/636833036.db2.gz ANKVBDNUAUSEQQ-NSHDSACASA-N 1 2 274.368 0.829 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@]12CCC[C@@H]1N(CC#N)CC2 ZINC000992436506 637408069 /nfs/dbraw/zinc/40/80/69/637408069.db2.gz WMMKKQNBEQTHLI-DZGCQCFKSA-N 1 2 287.367 0.599 20 30 CCEDLO C[C@H](CNC(=O)N1CCC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000914067010 637500771 /nfs/dbraw/zinc/50/07/71/637500771.db2.gz JLHXIRIMVFBGEF-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001015672314 637815146 /nfs/dbraw/zinc/81/51/46/637815146.db2.gz QPUDZSIHSBHMSV-WDEREUQCSA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001015672314 637815152 /nfs/dbraw/zinc/81/51/52/637815152.db2.gz QPUDZSIHSBHMSV-WDEREUQCSA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001015674349 637828364 /nfs/dbraw/zinc/82/83/64/637828364.db2.gz YIHXQJMRDCDJFV-ZDUSSCGKSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001015674349 637828367 /nfs/dbraw/zinc/82/83/67/637828367.db2.gz YIHXQJMRDCDJFV-ZDUSSCGKSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994921815 638335359 /nfs/dbraw/zinc/33/53/59/638335359.db2.gz YKOOYZMEFSQTSW-HNNXBMFYSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940705332 638487857 /nfs/dbraw/zinc/48/78/57/638487857.db2.gz OZZOXFRURXGIAO-CKYFFXLPSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177465 638708636 /nfs/dbraw/zinc/70/86/36/638708636.db2.gz OPOHSXKFAQTVJH-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC(NCC#N)C1 ZINC000999004600 638955144 /nfs/dbraw/zinc/95/51/44/638955144.db2.gz JANOEOCJCJXAKU-PNESKVBLSA-N 1 2 287.367 0.548 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000642050 639145616 /nfs/dbraw/zinc/14/56/16/639145616.db2.gz BLEBBIRSUFOJRY-JTQLQIEISA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC001002740347 639450303 /nfs/dbraw/zinc/45/03/03/639450303.db2.gz ANUFUOLQZMLRTD-UHFFFAOYSA-N 1 2 283.763 0.762 20 30 CCEDLO N#CCCNC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000805755163 640433003 /nfs/dbraw/zinc/43/30/03/640433003.db2.gz ODNQPNDFZAXCJM-UHFFFAOYSA-N 1 2 276.340 0.296 20 30 CCEDLO N#CCCNC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000805755163 640433008 /nfs/dbraw/zinc/43/30/08/640433008.db2.gz ODNQPNDFZAXCJM-UHFFFAOYSA-N 1 2 276.340 0.296 20 30 CCEDLO Cc1ccccc1-n1cc(C=NNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000807981826 640844019 /nfs/dbraw/zinc/84/40/19/640844019.db2.gz STAYOVBXYAYERT-LLVKDONJSA-N 1 2 283.339 0.847 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015717813 650616013 /nfs/dbraw/zinc/61/60/13/650616013.db2.gz YONPKHRNDFRDBC-AEJSXWLSSA-N 1 2 271.748 0.051 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015717813 650616014 /nfs/dbraw/zinc/61/60/14/650616014.db2.gz YONPKHRNDFRDBC-AEJSXWLSSA-N 1 2 271.748 0.051 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000811808222 640987522 /nfs/dbraw/zinc/98/75/22/640987522.db2.gz ZSXCCVUDOJJFGR-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C[C@H](C#N)OCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000814654420 641072687 /nfs/dbraw/zinc/07/26/87/641072687.db2.gz CIYCOTZUVWYPJZ-LLVKDONJSA-N 1 2 297.380 0.694 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000814654420 641072692 /nfs/dbraw/zinc/07/26/92/641072692.db2.gz CIYCOTZUVWYPJZ-LLVKDONJSA-N 1 2 297.380 0.694 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[S@@](C)=O ZINC000827990169 642058049 /nfs/dbraw/zinc/05/80/49/642058049.db2.gz GVXBYILDUNRJJI-PRWKNARSSA-N 1 2 293.396 0.237 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[S@@](C)=O ZINC000827990169 642058054 /nfs/dbraw/zinc/05/80/54/642058054.db2.gz GVXBYILDUNRJJI-PRWKNARSSA-N 1 2 293.396 0.237 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCC2)O1 ZINC000830707473 642287381 /nfs/dbraw/zinc/28/73/81/642287381.db2.gz FITBMZUTLDZJTE-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCC2)O1 ZINC000830707473 642287389 /nfs/dbraw/zinc/28/73/89/642287389.db2.gz FITBMZUTLDZJTE-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000837468991 642745998 /nfs/dbraw/zinc/74/59/98/642745998.db2.gz WLUFYZSCLNEPGS-OAHLLOKOSA-N 1 2 292.379 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001017372323 650797731 /nfs/dbraw/zinc/79/77/31/650797731.db2.gz XAIRMBVEJXKTQC-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001017372323 650797735 /nfs/dbraw/zinc/79/77/35/650797735.db2.gz XAIRMBVEJXKTQC-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001017372323 650797739 /nfs/dbraw/zinc/79/77/39/650797739.db2.gz XAIRMBVEJXKTQC-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001017372323 650797741 /nfs/dbraw/zinc/79/77/41/650797741.db2.gz XAIRMBVEJXKTQC-TXEJJXNPSA-N 1 2 258.325 0.722 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1OC ZINC001017653455 650815948 /nfs/dbraw/zinc/81/59/48/650815948.db2.gz SIIALYMGDGAINM-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1OC ZINC001017653455 650815949 /nfs/dbraw/zinc/81/59/49/650815949.db2.gz SIIALYMGDGAINM-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)C1=O ZINC001017829465 650825421 /nfs/dbraw/zinc/82/54/21/650825421.db2.gz ZVWYTLBARHTYDA-MJBXVCDLSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)C1=O ZINC001017829465 650825424 /nfs/dbraw/zinc/82/54/24/650825424.db2.gz ZVWYTLBARHTYDA-MJBXVCDLSA-N 1 2 289.379 0.163 20 30 CCEDLO C[C@@H](CC(=O)OCC(=O)NCC#N)n1cc[nH+]c1 ZINC000845281986 643298058 /nfs/dbraw/zinc/29/80/58/643298058.db2.gz PPXQFDYLNGOTCI-VIFPVBQESA-N 1 2 250.258 0.017 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001017975996 650838283 /nfs/dbraw/zinc/83/82/83/650838283.db2.gz IWFVMYAOHSXZML-XUWVNRHRSA-N 1 2 298.390 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001017975996 650838286 /nfs/dbraw/zinc/83/82/86/650838286.db2.gz IWFVMYAOHSXZML-XUWVNRHRSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)n1 ZINC001018061526 650841783 /nfs/dbraw/zinc/84/17/83/650841783.db2.gz PCJYKVIXSBVNGI-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)n1 ZINC001018061526 650841785 /nfs/dbraw/zinc/84/17/85/650841785.db2.gz PCJYKVIXSBVNGI-TXEJJXNPSA-N 1 2 273.340 0.127 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001018065350 650841861 /nfs/dbraw/zinc/84/18/61/650841861.db2.gz RKDRMMDFUNGSBS-OKILXGFUSA-N 1 2 285.347 0.769 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001018065350 650841862 /nfs/dbraw/zinc/84/18/62/650841862.db2.gz RKDRMMDFUNGSBS-OKILXGFUSA-N 1 2 285.347 0.769 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]12CCOC2 ZINC001018157304 650846207 /nfs/dbraw/zinc/84/62/07/650846207.db2.gz OIBAQWPCNKWTGA-CTASWTNQSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]12CCOC2 ZINC001018157304 650846208 /nfs/dbraw/zinc/84/62/08/650846208.db2.gz OIBAQWPCNKWTGA-CTASWTNQSA-N 1 2 274.364 0.721 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018632326 650887374 /nfs/dbraw/zinc/88/73/74/650887374.db2.gz MSQWTVFTXXETEC-IUCAKERBSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@](C)(C#N)C2)CCO1 ZINC000853607705 644129636 /nfs/dbraw/zinc/12/96/36/644129636.db2.gz TWLLWEKFAWCHBV-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@](C)(C#N)C2)CCO1 ZINC000853607705 644129638 /nfs/dbraw/zinc/12/96/38/644129638.db2.gz TWLLWEKFAWCHBV-OCCSQVGLSA-N 1 2 280.372 0.652 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857945801 644581154 /nfs/dbraw/zinc/58/11/54/644581154.db2.gz QPCSQBUHPPABNT-ZFWWWQNUSA-N 1 2 296.330 0.919 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000279170228 650976924 /nfs/dbraw/zinc/97/69/24/650976924.db2.gz CTBQMGAVSJEUSP-LLVKDONJSA-N 1 2 270.354 0.825 20 30 CCEDLO C[C@H]([NH2+]CC1(CO)COC1)c1cccc(C#N)c1O ZINC000866308860 645516594 /nfs/dbraw/zinc/51/65/94/645516594.db2.gz IJZCPFTZKVBGGU-JTQLQIEISA-N 1 2 262.309 0.923 20 30 CCEDLO C[C@H]1C(N=NC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000872362623 646250063 /nfs/dbraw/zinc/25/00/63/646250063.db2.gz WHLHZGPCEZDCJZ-VIFPVBQESA-N 1 2 259.375 0.233 20 30 CCEDLO C[C@H]1C(N=NC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC000872362623 646250066 /nfs/dbraw/zinc/25/00/66/646250066.db2.gz WHLHZGPCEZDCJZ-VIFPVBQESA-N 1 2 259.375 0.233 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)OCC(C)C)nn1 ZINC000881309552 647300492 /nfs/dbraw/zinc/30/04/92/647300492.db2.gz ZRNKYZGCYFHBDG-UHFFFAOYSA-N 1 2 264.329 0.590 20 30 CCEDLO Cc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C#N)n1 ZINC000882067844 647368569 /nfs/dbraw/zinc/36/85/69/647368569.db2.gz UKGDTFWYWAQYCV-CYBMUJFWSA-N 1 2 290.367 0.391 20 30 CCEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)CCO ZINC000136068404 647867061 /nfs/dbraw/zinc/86/70/61/647867061.db2.gz LHXIZFSGSVHOLA-AOOOYVTPSA-N 1 2 257.334 0.447 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885982143 647889512 /nfs/dbraw/zinc/88/95/12/647889512.db2.gz WGUUNHOARVTUGW-QWRGUYRKSA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885982143 647889508 /nfs/dbraw/zinc/88/95/08/647889508.db2.gz WGUUNHOARVTUGW-QWRGUYRKSA-N 1 2 251.330 0.252 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283646 647954931 /nfs/dbraw/zinc/95/49/31/647954931.db2.gz CRNPNEMAMRWZJV-VXGBXAGGSA-N 1 2 254.330 0.736 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283646 647954934 /nfs/dbraw/zinc/95/49/34/647954934.db2.gz CRNPNEMAMRWZJV-VXGBXAGGSA-N 1 2 254.330 0.736 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000930576494 648876197 /nfs/dbraw/zinc/87/61/97/648876197.db2.gz KXUYGDWGJIJJEX-HUUCEWRRSA-N 1 2 287.363 0.694 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000930576494 648876200 /nfs/dbraw/zinc/87/62/00/648876200.db2.gz KXUYGDWGJIJJEX-HUUCEWRRSA-N 1 2 287.363 0.694 20 30 CCEDLO Cc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1F ZINC001230020350 805577108 /nfs/dbraw/zinc/57/71/08/805577108.db2.gz XLNUJKVLWMMVDM-ADAFDVPTSA-N 1 2 265.288 0.915 20 30 CCEDLO Cc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1F ZINC001230020350 805577114 /nfs/dbraw/zinc/57/71/14/805577114.db2.gz XLNUJKVLWMMVDM-ADAFDVPTSA-N 1 2 265.288 0.915 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cncnc2)C1 ZINC001277447684 805585438 /nfs/dbraw/zinc/58/54/38/805585438.db2.gz AVBSHTMQNWVUGF-ZBFHGGJFSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cncnc2)C1 ZINC001277447684 805585445 /nfs/dbraw/zinc/58/54/45/805585445.db2.gz AVBSHTMQNWVUGF-ZBFHGGJFSA-N 1 2 297.362 0.813 20 30 CCEDLO Cc1cc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)on1 ZINC001266264578 790355895 /nfs/dbraw/zinc/35/58/95/790355895.db2.gz ZNFGCKJPBISWST-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1cc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)on1 ZINC001266264578 790355913 /nfs/dbraw/zinc/35/59/13/790355913.db2.gz ZNFGCKJPBISWST-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3F)[C@H]2C1 ZINC001083185973 790378046 /nfs/dbraw/zinc/37/80/46/790378046.db2.gz USZCTCCAYKWBDW-WDEREUQCSA-N 1 2 280.303 0.260 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3F)[C@H]2C1 ZINC001083185973 790378060 /nfs/dbraw/zinc/37/80/60/790378060.db2.gz USZCTCCAYKWBDW-WDEREUQCSA-N 1 2 280.303 0.260 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)CS(=O)(=O)C1CCCC1 ZINC001266288613 790421135 /nfs/dbraw/zinc/42/11/35/790421135.db2.gz KHVRKANAMQSLCZ-UHFFFAOYSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)CS(=O)(=O)C1CCCC1 ZINC001266288613 790421142 /nfs/dbraw/zinc/42/11/42/790421142.db2.gz KHVRKANAMQSLCZ-UHFFFAOYSA-N 1 2 288.413 0.578 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccc(C#N)nn1 ZINC001104225943 790452946 /nfs/dbraw/zinc/45/29/46/790452946.db2.gz GIVOMVPGCLDLRL-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC12CCC2 ZINC001266330559 790521981 /nfs/dbraw/zinc/52/19/81/790521981.db2.gz ZJABUKHNIZTJLK-GFCCVEGCSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC12CCC2 ZINC001266330559 790521988 /nfs/dbraw/zinc/52/19/88/790521988.db2.gz ZJABUKHNIZTJLK-GFCCVEGCSA-N 1 2 279.384 0.527 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001266362221 790587856 /nfs/dbraw/zinc/58/78/56/790587856.db2.gz ZOSOXYIYPRKPRC-RYUDHWBXSA-N 1 2 288.413 0.434 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001266362221 790587868 /nfs/dbraw/zinc/58/78/68/790587868.db2.gz ZOSOXYIYPRKPRC-RYUDHWBXSA-N 1 2 288.413 0.434 20 30 CCEDLO NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361382 790588891 /nfs/dbraw/zinc/58/88/91/790588891.db2.gz MDLHWCADJCZYTG-AWEZNQCLSA-N 1 2 285.347 0.104 20 30 CCEDLO NC(=O)C[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361382 790588902 /nfs/dbraw/zinc/58/89/02/790588902.db2.gz MDLHWCADJCZYTG-AWEZNQCLSA-N 1 2 285.347 0.104 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cnsn2)c1 ZINC001125360476 790800360 /nfs/dbraw/zinc/80/03/60/790800360.db2.gz FFNXZBXDCUVMEQ-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN(CC#N)C1 ZINC001266544458 790907438 /nfs/dbraw/zinc/90/74/38/790907438.db2.gz BPBKMCJRTKMMJS-NSHDSACASA-N 1 2 261.329 0.222 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111488853 791080292 /nfs/dbraw/zinc/08/02/92/791080292.db2.gz XSIHYNSKWWFIQH-LPWJVIDDSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111488853 791080294 /nfs/dbraw/zinc/08/02/94/791080294.db2.gz XSIHYNSKWWFIQH-LPWJVIDDSA-N 1 2 295.383 0.045 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)COCCC ZINC001231085794 805726998 /nfs/dbraw/zinc/72/69/98/805726998.db2.gz LTYMNDBQRNCIAB-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)COCCC ZINC001231085794 805727001 /nfs/dbraw/zinc/72/70/01/805727001.db2.gz LTYMNDBQRNCIAB-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001231231928 805757707 /nfs/dbraw/zinc/75/77/07/805757707.db2.gz AJHHGGQLIGENDC-CYBMUJFWSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001231231928 805757713 /nfs/dbraw/zinc/75/77/13/805757713.db2.gz AJHHGGQLIGENDC-CYBMUJFWSA-N 1 2 295.383 0.000 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247586 805759436 /nfs/dbraw/zinc/75/94/36/805759436.db2.gz PIBGDLAHAFYOJM-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231247586 805759441 /nfs/dbraw/zinc/75/94/41/805759441.db2.gz PIBGDLAHAFYOJM-BXUZGUMPSA-N 1 2 289.383 0.921 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231245745 805759863 /nfs/dbraw/zinc/75/98/63/805759863.db2.gz AUYUBXRHEXMHAE-WCQYABFASA-N 1 2 292.383 0.300 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231245745 805759870 /nfs/dbraw/zinc/75/98/70/805759870.db2.gz AUYUBXRHEXMHAE-WCQYABFASA-N 1 2 292.383 0.300 20 30 CCEDLO CN(CC#N)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001277500990 805761822 /nfs/dbraw/zinc/76/18/22/805761822.db2.gz CVYGBSJRJDQAQV-VXGBXAGGSA-N 1 2 291.355 0.101 20 30 CCEDLO CN(CC#N)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001277500990 805761824 /nfs/dbraw/zinc/76/18/24/805761824.db2.gz CVYGBSJRJDQAQV-VXGBXAGGSA-N 1 2 291.355 0.101 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001231410568 805797974 /nfs/dbraw/zinc/79/79/74/805797974.db2.gz JZKFRLMNJGZYAG-TZMCWYRMSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001231410568 805797979 /nfs/dbraw/zinc/79/79/79/805797979.db2.gz JZKFRLMNJGZYAG-TZMCWYRMSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CC[N@H+](C)CCOCCNC(=O)c1[nH]ncc1F ZINC001277520178 805806433 /nfs/dbraw/zinc/80/64/33/805806433.db2.gz AXHAVGGLBXAJOA-UHFFFAOYSA-N 1 2 270.308 0.413 20 30 CCEDLO C=CC[N@@H+](C)CCOCCNC(=O)c1[nH]ncc1F ZINC001277520178 805806443 /nfs/dbraw/zinc/80/64/43/805806443.db2.gz AXHAVGGLBXAJOA-UHFFFAOYSA-N 1 2 270.308 0.413 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cccc(COC)n2)CC1 ZINC001232257255 805914567 /nfs/dbraw/zinc/91/45/67/805914567.db2.gz OHWKLJNEOIHSOH-UHFFFAOYSA-N 1 2 259.353 0.979 20 30 CCEDLO C#CCN1CC[NH+](Cc2cccc(COC)n2)CC1 ZINC001232257255 805914570 /nfs/dbraw/zinc/91/45/70/805914570.db2.gz OHWKLJNEOIHSOH-UHFFFAOYSA-N 1 2 259.353 0.979 20 30 CCEDLO C=CCN(CC[N@@H+]1CC[C@@H]2C[C@@]21C(N)=O)C(=O)OCC ZINC001277671319 805946933 /nfs/dbraw/zinc/94/69/33/805946933.db2.gz GIAZOGVMGVRORW-RISCZKNCSA-N 1 2 281.356 0.581 20 30 CCEDLO C=CCN(CC[N@H+]1CC[C@@H]2C[C@@]21C(N)=O)C(=O)OCC ZINC001277671319 805946938 /nfs/dbraw/zinc/94/69/38/805946938.db2.gz GIAZOGVMGVRORW-RISCZKNCSA-N 1 2 281.356 0.581 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC001232547836 805958472 /nfs/dbraw/zinc/95/84/72/805958472.db2.gz PIUDXBXMTCDQMP-UHFFFAOYSA-N 1 2 255.325 0.660 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C(C)(C)C#N ZINC001143405439 791299297 /nfs/dbraw/zinc/29/92/97/791299297.db2.gz ZHINMFMTGPLGJR-JTQLQIEISA-N 1 2 278.312 0.170 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267113538 791553911 /nfs/dbraw/zinc/55/39/11/791553911.db2.gz NJGTVLWPAGLDHK-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267113538 791553915 /nfs/dbraw/zinc/55/39/15/791553915.db2.gz NJGTVLWPAGLDHK-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1conc1C ZINC001267193065 791652409 /nfs/dbraw/zinc/65/24/09/791652409.db2.gz LUEMXSJBNKEKCG-AWEZNQCLSA-N 1 2 281.356 0.858 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1conc1C ZINC001267193065 791652411 /nfs/dbraw/zinc/65/24/11/791652411.db2.gz LUEMXSJBNKEKCG-AWEZNQCLSA-N 1 2 281.356 0.858 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001267194988 791656759 /nfs/dbraw/zinc/65/67/59/791656759.db2.gz KGZYRLSIQPQAGC-UHFFFAOYSA-N 1 2 257.725 0.229 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001267194988 791656765 /nfs/dbraw/zinc/65/67/65/791656765.db2.gz KGZYRLSIQPQAGC-UHFFFAOYSA-N 1 2 257.725 0.229 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001267215005 791684778 /nfs/dbraw/zinc/68/47/78/791684778.db2.gz FJOYJWSBXDEPAG-OAHLLOKOSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001267215005 791684785 /nfs/dbraw/zinc/68/47/85/791684785.db2.gz FJOYJWSBXDEPAG-OAHLLOKOSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001233762201 806117676 /nfs/dbraw/zinc/11/76/76/806117676.db2.gz QVPSLVLHEYGXGS-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001233762201 806117677 /nfs/dbraw/zinc/11/76/77/806117677.db2.gz QVPSLVLHEYGXGS-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001234170044 806194313 /nfs/dbraw/zinc/19/43/13/806194313.db2.gz HSODABNYKWYBQD-KGLIPLIRSA-N 1 2 291.395 0.409 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001234170044 806194318 /nfs/dbraw/zinc/19/43/18/806194318.db2.gz HSODABNYKWYBQD-KGLIPLIRSA-N 1 2 291.395 0.409 20 30 CCEDLO CC#CC[N@@H+](CC)CCNC(=O)CS(=O)(=O)CCC ZINC001267256213 793252247 /nfs/dbraw/zinc/25/22/47/793252247.db2.gz NJWZWJJYWNWDCC-UHFFFAOYSA-N 1 2 288.413 0.273 20 30 CCEDLO CC#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)CCC ZINC001267256213 793252252 /nfs/dbraw/zinc/25/22/52/793252252.db2.gz NJWZWJJYWNWDCC-UHFFFAOYSA-N 1 2 288.413 0.273 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234605046 806287212 /nfs/dbraw/zinc/28/72/12/806287212.db2.gz YVJHLHOCYGUIAQ-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234605046 806287219 /nfs/dbraw/zinc/28/72/19/806287219.db2.gz YVJHLHOCYGUIAQ-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO N#CCCN1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277938602 806410209 /nfs/dbraw/zinc/41/02/09/806410209.db2.gz BWNOUSBITUWJND-OKILXGFUSA-N 1 2 275.356 0.182 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC001235698140 806495323 /nfs/dbraw/zinc/49/53/23/806495323.db2.gz IQZMJWSVXLBGRL-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC001235698140 806495325 /nfs/dbraw/zinc/49/53/25/806495325.db2.gz IQZMJWSVXLBGRL-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](CO)[NH2+]Cc1nocc1C ZINC001278093529 806659275 /nfs/dbraw/zinc/65/92/75/806659275.db2.gz MPISSWYGHYUHLC-GFCCVEGCSA-N 1 2 281.356 0.906 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c(C)n3)n2C)CC1 ZINC001121449641 799047577 /nfs/dbraw/zinc/04/75/77/799047577.db2.gz ZQSQHMCGZOLWAK-UHFFFAOYSA-N 1 2 285.355 0.269 20 30 CCEDLO N#CCNC1CC2(C1)CC(NC(=O)CCn1cc[nH+]c1)C2 ZINC001121501174 799053736 /nfs/dbraw/zinc/05/37/36/799053736.db2.gz UXHUORHJLWAHMA-UHFFFAOYSA-N 1 2 287.367 0.814 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546999 799922053 /nfs/dbraw/zinc/92/20/53/799922053.db2.gz DGTLKIFBDNSNBD-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546999 799922062 /nfs/dbraw/zinc/92/20/62/799922062.db2.gz DGTLKIFBDNSNBD-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001153001142 800580637 /nfs/dbraw/zinc/58/06/37/800580637.db2.gz PVFUIUHCACDOCK-GFCCVEGCSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001153001142 800580644 /nfs/dbraw/zinc/58/06/44/800580644.db2.gz PVFUIUHCACDOCK-GFCCVEGCSA-N 1 2 279.384 0.315 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001153160261 800604477 /nfs/dbraw/zinc/60/44/77/800604477.db2.gz PLBHZYOUJUTFFM-ZJUUUORDSA-N 1 2 282.344 0.736 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155841317 801063077 /nfs/dbraw/zinc/06/30/77/801063077.db2.gz CKISGFJWFWCCRU-RKDXNWHRSA-N 1 2 265.317 0.695 20 30 CCEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155841109 801063605 /nfs/dbraw/zinc/06/36/05/801063605.db2.gz CKISGFJWFWCCRU-IUCAKERBSA-N 1 2 265.317 0.695 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)CCO1 ZINC001156969331 801274664 /nfs/dbraw/zinc/27/46/64/801274664.db2.gz DAWAWNCOSDEMRM-SECBINFHSA-N 1 2 271.280 0.510 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001157036845 801289857 /nfs/dbraw/zinc/28/98/57/801289857.db2.gz KBSXXODBTKLUDZ-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001157036845 801289862 /nfs/dbraw/zinc/28/98/62/801289862.db2.gz KBSXXODBTKLUDZ-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001157189873 801321611 /nfs/dbraw/zinc/32/16/11/801321611.db2.gz SZHXSRJYXKVYHB-AWEZNQCLSA-N 1 2 296.371 0.555 20 30 CCEDLO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001158714536 801693232 /nfs/dbraw/zinc/69/32/32/801693232.db2.gz SJDIHTOCCIIBGJ-CYBMUJFWSA-N 1 2 289.383 0.683 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001158714536 801693237 /nfs/dbraw/zinc/69/32/37/801693237.db2.gz SJDIHTOCCIIBGJ-CYBMUJFWSA-N 1 2 289.383 0.683 20 30 CCEDLO C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001160508831 801953560 /nfs/dbraw/zinc/95/35/60/801953560.db2.gz VOQZAVPIAREWFO-LBPRGKRZSA-N 1 2 298.408 0.191 20 30 CCEDLO C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001160508831 801953563 /nfs/dbraw/zinc/95/35/63/801953563.db2.gz VOQZAVPIAREWFO-LBPRGKRZSA-N 1 2 298.408 0.191 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161308501 802123883 /nfs/dbraw/zinc/12/38/83/802123883.db2.gz BFHCSJABHFJYIQ-LLVKDONJSA-N 1 2 261.329 0.065 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(F)c1C#N ZINC001161949896 802255415 /nfs/dbraw/zinc/25/54/15/802255415.db2.gz DZEDVYJMQXHFMU-SECBINFHSA-N 1 2 252.249 0.395 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)c(C)cc1C#N ZINC001161950332 802257403 /nfs/dbraw/zinc/25/74/03/802257403.db2.gz MVBQMWXJPVRGHG-LLVKDONJSA-N 1 2 262.313 0.872 20 30 CCEDLO C=CCS(=O)(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001259934960 808809978 /nfs/dbraw/zinc/80/99/78/808809978.db2.gz JZOBNRKRWNOMKJ-UHFFFAOYSA-N 1 2 268.329 0.823 20 30 CCEDLO CC#CC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001279718495 809995091 /nfs/dbraw/zinc/99/50/91/809995091.db2.gz XZHGLSHYYOKWRX-VIFPVBQESA-N 1 2 284.253 0.321 20 30 CCEDLO CC#CC[NH2+]CCN(CCO)C(=O)[C@H](F)C(F)(F)F ZINC001279718495 809995096 /nfs/dbraw/zinc/99/50/96/809995096.db2.gz XZHGLSHYYOKWRX-VIFPVBQESA-N 1 2 284.253 0.321 20 30 CCEDLO C#CCC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001279718489 809995229 /nfs/dbraw/zinc/99/52/29/809995229.db2.gz XXEYMWJPTFVVOW-SECBINFHSA-N 1 2 284.253 0.321 20 30 CCEDLO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H](F)C(F)(F)F ZINC001279718489 809995233 /nfs/dbraw/zinc/99/52/33/809995233.db2.gz XXEYMWJPTFVVOW-SECBINFHSA-N 1 2 284.253 0.321 20 30 CCEDLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C#N)n1 ZINC001164498607 802749696 /nfs/dbraw/zinc/74/96/96/802749696.db2.gz VNFIKCHNZCMTNT-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO N#Cc1c[nH]c2ccnc(N3CC[NH2+]C[C@H]3C#N)c12 ZINC001164653004 802776174 /nfs/dbraw/zinc/77/61/74/802776174.db2.gz YMDLGSTWQNKRFY-SNVBAGLBSA-N 1 2 252.281 0.736 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(N2CCCCC2)ncn1 ZINC001164662163 802777252 /nfs/dbraw/zinc/77/72/52/802777252.db2.gz SEVCWARAJUNSJI-GFCCVEGCSA-N 1 2 272.356 0.769 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206114775 803208837 /nfs/dbraw/zinc/20/88/37/803208837.db2.gz FDZSTEBZQNSXNF-DGCLKSJQSA-N 1 2 294.399 0.499 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206114775 803208840 /nfs/dbraw/zinc/20/88/40/803208840.db2.gz FDZSTEBZQNSXNF-DGCLKSJQSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1CC=CC1 ZINC001206690453 803280827 /nfs/dbraw/zinc/28/08/27/803280827.db2.gz ZLILNEYUUBHFAF-DGCLKSJQSA-N 1 2 290.367 0.029 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1CC=CC1 ZINC001206690453 803280829 /nfs/dbraw/zinc/28/08/29/803280829.db2.gz ZLILNEYUUBHFAF-DGCLKSJQSA-N 1 2 290.367 0.029 20 30 CCEDLO C#CCCCCC(=O)NCC1(O)C[NH+](CCC#C)C1 ZINC001271269914 814361442 /nfs/dbraw/zinc/36/14/42/814361442.db2.gz MGSYSKKQEIWDQN-UHFFFAOYSA-N 1 2 262.353 0.366 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001276532003 803398197 /nfs/dbraw/zinc/39/81/97/803398197.db2.gz HQXBFBCLYXDLRP-INIZCTEOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001276532003 803398199 /nfs/dbraw/zinc/39/81/99/803398199.db2.gz HQXBFBCLYXDLRP-INIZCTEOSA-N 1 2 292.379 0.350 20 30 CCEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001075883266 814763316 /nfs/dbraw/zinc/76/33/16/814763316.db2.gz ZYKYQKZYKYRKQX-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211953763 814943127 /nfs/dbraw/zinc/94/31/27/814943127.db2.gz CRYVYHPKLICZGW-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211953763 814943129 /nfs/dbraw/zinc/94/31/29/814943129.db2.gz CRYVYHPKLICZGW-MGPQQGTHSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)OCC)[C@H](OC)C1 ZINC001211959779 814945017 /nfs/dbraw/zinc/94/50/17/814945017.db2.gz TWNNWGWQTUWLSX-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)OCC)[C@H](OC)C1 ZINC001211959779 814945019 /nfs/dbraw/zinc/94/50/19/814945019.db2.gz TWNNWGWQTUWLSX-JHJVBQTASA-N 1 2 268.357 0.250 20 30 CCEDLO N#Cc1ccccc1OC1CN(CC[NH+]2CCOCC2)C1 ZINC001209296454 803590533 /nfs/dbraw/zinc/59/05/33/803590533.db2.gz QVYFOMFILLBGIA-UHFFFAOYSA-N 1 2 287.363 0.953 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNCC#N)C1CC1 ZINC001276664407 803622678 /nfs/dbraw/zinc/62/26/78/803622678.db2.gz ACJCYDBKWFIXAW-UPJWGTAASA-N 1 2 287.367 0.532 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(F)ccc(N)c1F ZINC001210121313 803639098 /nfs/dbraw/zinc/63/90/98/803639098.db2.gz KITOMHGVYNBEPJ-MRVPVSSYSA-N 1 2 252.268 0.844 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@H](OC)C1 ZINC001213326001 803690812 /nfs/dbraw/zinc/69/08/12/803690812.db2.gz RRIHJVPALVYQTA-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@H](OC)C1 ZINC001213326001 803690813 /nfs/dbraw/zinc/69/08/13/803690813.db2.gz RRIHJVPALVYQTA-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@H](OC)C1 ZINC001213787518 803703405 /nfs/dbraw/zinc/70/34/05/803703405.db2.gz DGBVGWQEFYDATO-RBSFLKMASA-N 1 2 294.395 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)[C@H](OC)C1 ZINC001213787518 803703409 /nfs/dbraw/zinc/70/34/09/803703409.db2.gz DGBVGWQEFYDATO-RBSFLKMASA-N 1 2 294.395 0.640 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211997457 814970505 /nfs/dbraw/zinc/97/05/05/814970505.db2.gz VRYDUYWXNMXHJB-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211997457 814970508 /nfs/dbraw/zinc/97/05/08/814970508.db2.gz VRYDUYWXNMXHJB-ZIAGYGMSSA-N 1 2 292.383 0.702 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC3)[C@H]2C1 ZINC001217172338 803874449 /nfs/dbraw/zinc/87/44/49/803874449.db2.gz KVALZRGKBCLTPU-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC3)[C@H]2C1 ZINC001217172338 803874460 /nfs/dbraw/zinc/87/44/60/803874460.db2.gz KVALZRGKBCLTPU-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001217177520 803875478 /nfs/dbraw/zinc/87/54/78/803875478.db2.gz TWPDARBGXDTNNI-QWHCGFSZSA-N 1 2 298.358 0.296 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC001217177520 803875487 /nfs/dbraw/zinc/87/54/87/803875487.db2.gz TWPDARBGXDTNNI-QWHCGFSZSA-N 1 2 298.358 0.296 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218544478 803998514 /nfs/dbraw/zinc/99/85/14/803998514.db2.gz UACILVALQPATHQ-NSHDSACASA-N 1 2 283.291 0.428 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173566 804227199 /nfs/dbraw/zinc/22/71/99/804227199.db2.gz MYMAARRDVKDNLS-KFWWJZLASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173566 804227205 /nfs/dbraw/zinc/22/72/05/804227205.db2.gz MYMAARRDVKDNLS-KFWWJZLASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 ZINC001219278982 804256544 /nfs/dbraw/zinc/25/65/44/804256544.db2.gz CYQVHSUIKLWAOG-PVBRJXJSSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 ZINC001219278982 804256551 /nfs/dbraw/zinc/25/65/51/804256551.db2.gz CYQVHSUIKLWAOG-PVBRJXJSSA-N 1 2 292.379 0.154 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)c1 ZINC001219379706 804292084 /nfs/dbraw/zinc/29/20/84/804292084.db2.gz XATZQNXBIIQRPF-YUTCNCBUSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)c1 ZINC001219379706 804292089 /nfs/dbraw/zinc/29/20/89/804292089.db2.gz XATZQNXBIIQRPF-YUTCNCBUSA-N 1 2 288.351 0.211 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219392088 804296396 /nfs/dbraw/zinc/29/63/96/804296396.db2.gz NYRYCIDDOCAPCQ-MCIONIFRSA-N 1 2 282.384 0.234 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219392088 804296401 /nfs/dbraw/zinc/29/64/01/804296401.db2.gz NYRYCIDDOCAPCQ-MCIONIFRSA-N 1 2 282.384 0.234 20 30 CCEDLO C=CCCCS(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC001212096029 815007973 /nfs/dbraw/zinc/00/79/73/815007973.db2.gz MMGOBPPBQVIYGF-UHFFFAOYSA-N 1 2 257.359 0.848 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@@H](O)C1 ZINC001219607028 804373083 /nfs/dbraw/zinc/37/30/83/804373083.db2.gz ANKZPEFJFSALKM-HZSPNIEDSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@@H](O)C1 ZINC001219607028 804373090 /nfs/dbraw/zinc/37/30/90/804373090.db2.gz ANKZPEFJFSALKM-HZSPNIEDSA-N 1 2 282.384 0.232 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219670019 804400766 /nfs/dbraw/zinc/40/07/66/804400766.db2.gz LUUZDZYGXWTXCX-VGMNWLOBSA-N 1 2 284.253 0.624 20 30 CCEDLO C=CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219670019 804400769 /nfs/dbraw/zinc/40/07/69/804400769.db2.gz LUUZDZYGXWTXCX-VGMNWLOBSA-N 1 2 284.253 0.624 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219689763 804404899 /nfs/dbraw/zinc/40/48/99/804404899.db2.gz IGBWAKVJAODQFY-OLZOCXBDSA-N 1 2 270.348 0.886 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219689763 804404904 /nfs/dbraw/zinc/40/49/04/804404904.db2.gz IGBWAKVJAODQFY-OLZOCXBDSA-N 1 2 270.348 0.886 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220205940 804537985 /nfs/dbraw/zinc/53/79/85/804537985.db2.gz RHXVQSGDGJRWEK-UTUOFQBUSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220205940 804537987 /nfs/dbraw/zinc/53/79/87/804537987.db2.gz RHXVQSGDGJRWEK-UTUOFQBUSA-N 1 2 258.337 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COc2ccccc2C)[C@@H](O)C1 ZINC001220891676 804692411 /nfs/dbraw/zinc/69/24/11/804692411.db2.gz SFKYSXPXUBICIC-KGLIPLIRSA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2C)[C@@H](O)C1 ZINC001220891676 804692416 /nfs/dbraw/zinc/69/24/16/804692416.db2.gz SFKYSXPXUBICIC-KGLIPLIRSA-N 1 2 288.347 0.168 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC001221213779 804747128 /nfs/dbraw/zinc/74/71/28/804747128.db2.gz CACPNKTWXRGHOB-CHWSQXEVSA-N 1 2 277.368 0.231 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC001221213779 804747131 /nfs/dbraw/zinc/74/71/31/804747131.db2.gz CACPNKTWXRGHOB-CHWSQXEVSA-N 1 2 277.368 0.231 20 30 CCEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001221797918 804844279 /nfs/dbraw/zinc/84/42/79/804844279.db2.gz NFYILDIEDFINOY-CHWSQXEVSA-N 1 2 291.395 0.751 20 30 CCEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001221797918 804844287 /nfs/dbraw/zinc/84/42/87/804844287.db2.gz NFYILDIEDFINOY-CHWSQXEVSA-N 1 2 291.395 0.751 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001276825248 804846072 /nfs/dbraw/zinc/84/60/72/804846072.db2.gz YXMOFWSSVMKDNP-GXTWGEPZSA-N 1 2 264.369 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001276825248 804846079 /nfs/dbraw/zinc/84/60/79/804846079.db2.gz YXMOFWSSVMKDNP-GXTWGEPZSA-N 1 2 264.369 0.873 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001276834270 804929950 /nfs/dbraw/zinc/92/99/50/804929950.db2.gz JUROZJBEZPDUDS-CQSZACIVSA-N 1 2 276.336 0.662 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001276834270 804929955 /nfs/dbraw/zinc/92/99/55/804929955.db2.gz JUROZJBEZPDUDS-CQSZACIVSA-N 1 2 276.336 0.662 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001276986049 805061740 /nfs/dbraw/zinc/06/17/40/805061740.db2.gz PCXQPOZYNZGJMS-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001276986049 805061747 /nfs/dbraw/zinc/06/17/47/805061747.db2.gz PCXQPOZYNZGJMS-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1 ZINC001225765839 805161019 /nfs/dbraw/zinc/16/10/19/805161019.db2.gz PNLQONCNSBERLJ-GQTXGERZSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1 ZINC001225765839 805161028 /nfs/dbraw/zinc/16/10/28/805161028.db2.gz PNLQONCNSBERLJ-GQTXGERZSA-N 1 2 290.319 0.859 20 30 CCEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cccnn2)C3)CCC1 ZINC001277206746 805346699 /nfs/dbraw/zinc/34/66/99/805346699.db2.gz MHKQUELZHRLJBH-CYBMUJFWSA-N 1 2 297.362 0.861 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227990315 805405840 /nfs/dbraw/zinc/40/58/40/805405840.db2.gz JSBNKMHLUNOCQQ-DERRMCRCSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227990315 805405843 /nfs/dbraw/zinc/40/58/43/805405843.db2.gz JSBNKMHLUNOCQQ-DERRMCRCSA-N 1 2 277.280 0.981 20 30 CCEDLO COC(=O)c1ccnnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228787702 805480378 /nfs/dbraw/zinc/48/03/78/805480378.db2.gz DXRXMHLSVIUFER-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1ccnnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228787702 805480382 /nfs/dbraw/zinc/48/03/82/805480382.db2.gz DXRXMHLSVIUFER-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001277361840 805509076 /nfs/dbraw/zinc/50/90/76/805509076.db2.gz QZHRZTPKFWBOLA-ZDUSSCGKSA-N 1 2 285.351 0.604 20 30 CCEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001278409502 807083022 /nfs/dbraw/zinc/08/30/22/807083022.db2.gz GUGJLVDGIBEHIL-CYBMUJFWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001278409502 807083031 /nfs/dbraw/zinc/08/30/31/807083031.db2.gz GUGJLVDGIBEHIL-CYBMUJFWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC(N[C@H]1COCCC12OCCO2)=[NH+]COC ZINC001168348822 815104019 /nfs/dbraw/zinc/10/40/19/815104019.db2.gz WSQHZXPYLJFMBR-JTQLQIEISA-N 1 2 256.302 0.296 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2cccc(C#N)c2)no1 ZINC001247630543 807473753 /nfs/dbraw/zinc/47/37/53/807473753.db2.gz LJBSACJHQBEEHD-JTQLQIEISA-N 1 2 272.264 0.651 20 30 CCEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278499341 807506824 /nfs/dbraw/zinc/50/68/24/807506824.db2.gz DQLUUSCMYNGECZ-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278499341 807506828 /nfs/dbraw/zinc/50/68/28/807506828.db2.gz DQLUUSCMYNGECZ-RYUDHWBXSA-N 1 2 280.372 0.251 20 30 CCEDLO N#CCNC[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278599530 807612948 /nfs/dbraw/zinc/61/29/48/807612948.db2.gz ANZRZSCRNPVLAG-MNOVXSKESA-N 1 2 261.329 0.350 20 30 CCEDLO N#C[C@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001251002745 807634990 /nfs/dbraw/zinc/63/49/90/807634990.db2.gz VBPHFZUKLCVAAV-GJZGRUSLSA-N 1 2 275.352 0.534 20 30 CCEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc(F)c1F ZINC001251028659 807647634 /nfs/dbraw/zinc/64/76/34/807647634.db2.gz LVQKQIZVJZWSRZ-GFCCVEGCSA-N 1 2 297.305 0.941 20 30 CCEDLO C#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC001251032864 807649224 /nfs/dbraw/zinc/64/92/24/807649224.db2.gz BCRICDKVUBSVAO-AWEZNQCLSA-N 1 2 278.327 0.912 20 30 CCEDLO C#CCOC[C@@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001251833127 807715301 /nfs/dbraw/zinc/71/53/01/807715301.db2.gz ZPBDXVUNQJNTAW-ZDUSSCGKSA-N 1 2 280.324 0.529 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC001251851257 807719903 /nfs/dbraw/zinc/71/99/03/807719903.db2.gz HRIWQBJWKPIYAB-LLVKDONJSA-N 1 2 280.290 0.177 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001251857376 807723945 /nfs/dbraw/zinc/72/39/45/807723945.db2.gz BEJDTODHOZDGRC-LBPRGKRZSA-N 1 2 255.314 0.025 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001251857376 807723947 /nfs/dbraw/zinc/72/39/47/807723947.db2.gz BEJDTODHOZDGRC-LBPRGKRZSA-N 1 2 255.314 0.025 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253689272 808117459 /nfs/dbraw/zinc/11/74/59/808117459.db2.gz QOSFBCOXUBZKBT-ZWNOBZJWSA-N 1 2 254.330 0.925 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001253689272 808117460 /nfs/dbraw/zinc/11/74/60/808117460.db2.gz QOSFBCOXUBZKBT-ZWNOBZJWSA-N 1 2 254.330 0.925 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@@H](O)C1 ZINC001083508274 815179345 /nfs/dbraw/zinc/17/93/45/815179345.db2.gz YSUNAHWDIUWLMI-MNOVXSKESA-N 1 2 281.381 0.666 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@@H](O)C1 ZINC001083508274 815179349 /nfs/dbraw/zinc/17/93/49/815179349.db2.gz YSUNAHWDIUWLMI-MNOVXSKESA-N 1 2 281.381 0.666 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCCOCC)C1 ZINC001278837935 808313456 /nfs/dbraw/zinc/31/34/56/808313456.db2.gz OEAALBGOOTUDKZ-UHFFFAOYSA-N 1 2 270.373 0.542 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)/C=C(/C)CC)C1 ZINC001278862570 808351921 /nfs/dbraw/zinc/35/19/21/808351921.db2.gz ASWBYWHDNVVGAF-LCYFTJDESA-N 1 2 282.384 0.708 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001278862977 808352655 /nfs/dbraw/zinc/35/26/55/808352655.db2.gz GJSXISKZMZLEFH-CHWSQXEVSA-N 1 2 282.359 0.701 20 30 CCEDLO Cc1nc(C[NH2+]CCNC(=O)C#CC2CC2)oc1C ZINC001126899016 815203301 /nfs/dbraw/zinc/20/33/01/815203301.db2.gz FZAQPEMNZLUIJX-UHFFFAOYSA-N 1 2 261.325 0.911 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC001256696938 808551736 /nfs/dbraw/zinc/55/17/36/808551736.db2.gz KYONBXNTSOPLGP-UHFFFAOYSA-N 1 2 288.351 0.908 20 30 CCEDLO C=CCS(=O)(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001259929918 808808197 /nfs/dbraw/zinc/80/81/97/808808197.db2.gz YXUVJDGXDKEDPP-UHFFFAOYSA-N 1 2 297.380 0.728 20 30 CCEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1COCCO1 ZINC001261552247 809018780 /nfs/dbraw/zinc/01/87/80/809018780.db2.gz LTAZNDGWAFRSNW-GFCCVEGCSA-N 1 2 252.318 0.654 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001262905776 809422844 /nfs/dbraw/zinc/42/28/44/809422844.db2.gz ZIODELNWYLGBKQ-VHSXEESVSA-N 1 2 251.334 0.175 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001262905776 809422849 /nfs/dbraw/zinc/42/28/49/809422849.db2.gz ZIODELNWYLGBKQ-VHSXEESVSA-N 1 2 251.334 0.175 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCOC)CC2)C1 ZINC001105681374 815307252 /nfs/dbraw/zinc/30/72/52/815307252.db2.gz ZRRLIOFMUWXBQD-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001265207634 809725211 /nfs/dbraw/zinc/72/52/11/809725211.db2.gz KKPBYIDBRLAOOI-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001265207634 809725214 /nfs/dbraw/zinc/72/52/14/809725214.db2.gz KKPBYIDBRLAOOI-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001265279864 809743276 /nfs/dbraw/zinc/74/32/76/809743276.db2.gz YRQJLRNUUYHNDA-CYBMUJFWSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001265279864 809743281 /nfs/dbraw/zinc/74/32/81/809743281.db2.gz YRQJLRNUUYHNDA-CYBMUJFWSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001265303101 809751492 /nfs/dbraw/zinc/75/14/92/809751492.db2.gz BELGAADAPVEVIY-ZDUSSCGKSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001265303101 809751497 /nfs/dbraw/zinc/75/14/97/809751497.db2.gz BELGAADAPVEVIY-ZDUSSCGKSA-N 1 2 289.379 0.117 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001265900711 809889064 /nfs/dbraw/zinc/88/90/64/809889064.db2.gz HRVOORSAKPDVEQ-GWCFXTLKSA-N 1 2 296.396 0.556 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001266209220 809963314 /nfs/dbraw/zinc/96/33/14/809963314.db2.gz LEEVWJXVNATCMC-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001266209220 809963322 /nfs/dbraw/zinc/96/33/22/809963322.db2.gz LEEVWJXVNATCMC-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)[nH]1 ZINC001076890439 815408187 /nfs/dbraw/zinc/40/81/87/815408187.db2.gz ZNDXKHFBXHEFNZ-QBEVBOACSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)[nH]1 ZINC001076890439 815408189 /nfs/dbraw/zinc/40/81/89/815408189.db2.gz ZNDXKHFBXHEFNZ-QBEVBOACSA-N 1 2 294.742 0.414 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001038288334 811225596 /nfs/dbraw/zinc/22/55/96/811225596.db2.gz PAKJZXCTBBZXIT-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001038288334 811225604 /nfs/dbraw/zinc/22/56/04/811225604.db2.gz PAKJZXCTBBZXIT-KGLIPLIRSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038298408 811328655 /nfs/dbraw/zinc/32/86/55/811328655.db2.gz XILZHXGHUFZYDE-SECBINFHSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038298408 811328661 /nfs/dbraw/zinc/32/86/61/811328661.db2.gz XILZHXGHUFZYDE-SECBINFHSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001077077358 815443088 /nfs/dbraw/zinc/44/30/88/815443088.db2.gz JVFISNPNPKGYIG-YRGRVCCFSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001077077358 815443093 /nfs/dbraw/zinc/44/30/93/815443093.db2.gz JVFISNPNPKGYIG-YRGRVCCFSA-N 1 2 290.367 0.262 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694866808 811521470 /nfs/dbraw/zinc/52/14/70/811521470.db2.gz HHNUPDSPVAMKPS-GJZGRUSLSA-N 1 2 276.336 0.675 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694866808 811521478 /nfs/dbraw/zinc/52/14/78/811521478.db2.gz HHNUPDSPVAMKPS-GJZGRUSLSA-N 1 2 276.336 0.675 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000694866807 811521494 /nfs/dbraw/zinc/52/14/94/811521494.db2.gz HHNUPDSPVAMKPS-CABCVRRESA-N 1 2 276.336 0.675 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000694866807 811521503 /nfs/dbraw/zinc/52/15/03/811521503.db2.gz HHNUPDSPVAMKPS-CABCVRRESA-N 1 2 276.336 0.675 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001077182169 815456497 /nfs/dbraw/zinc/45/64/97/815456497.db2.gz DDRBYASFOUVCFS-LBPRGKRZSA-N 1 2 288.351 0.308 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267680735 811645012 /nfs/dbraw/zinc/64/50/12/811645012.db2.gz VHRVYXDNPINXHZ-ZDUSSCGKSA-N 1 2 291.395 0.385 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001077287091 815472780 /nfs/dbraw/zinc/47/27/80/815472780.db2.gz ILPJJAVHTJRRLY-CHWSQXEVSA-N 1 2 290.367 0.331 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001077287091 815472783 /nfs/dbraw/zinc/47/27/83/815472783.db2.gz ILPJJAVHTJRRLY-CHWSQXEVSA-N 1 2 290.367 0.331 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@@H]3C)C2)nn1 ZINC001105318774 811908767 /nfs/dbraw/zinc/90/87/67/811908767.db2.gz OIYNAZLFQBTRKN-NWDGAFQWSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@H]3C)C2)nn1 ZINC001105318776 811908860 /nfs/dbraw/zinc/90/88/60/811908860.db2.gz OIYNAZLFQBTRKN-VXGBXAGGSA-N 1 2 287.367 0.430 20 30 CCEDLO C=CCOCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105347228 812190454 /nfs/dbraw/zinc/19/04/54/812190454.db2.gz WTUWZHCPXIFODB-UHFFFAOYSA-N 1 2 278.356 0.882 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001083596476 815524056 /nfs/dbraw/zinc/52/40/56/815524056.db2.gz APXAHEZLKOTOJF-OLZOCXBDSA-N 1 2 290.367 0.249 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001083596476 815524061 /nfs/dbraw/zinc/52/40/61/815524061.db2.gz APXAHEZLKOTOJF-OLZOCXBDSA-N 1 2 290.367 0.249 20 30 CCEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001058919558 812384558 /nfs/dbraw/zinc/38/45/58/812384558.db2.gz WWWFBAHIVYTXJS-NSHDSACASA-N 1 2 297.322 0.258 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1nccs1 ZINC001268251814 812416950 /nfs/dbraw/zinc/41/69/50/812416950.db2.gz IJILFHXSDZXQTO-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1nccs1 ZINC001268251814 812416956 /nfs/dbraw/zinc/41/69/56/812416956.db2.gz IJILFHXSDZXQTO-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO CCOCCC[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001268298660 812457733 /nfs/dbraw/zinc/45/77/33/812457733.db2.gz AVQWRRZRXGTMAI-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001268303575 812467302 /nfs/dbraw/zinc/46/73/02/812467302.db2.gz GCZBGBPQSGWDBW-JQWIXIFHSA-N 1 2 294.355 0.309 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038986794 812530942 /nfs/dbraw/zinc/53/09/42/812530942.db2.gz PTWVNLXUHKTWMO-CVEARBPZSA-N 1 2 284.359 0.952 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038986794 812530947 /nfs/dbraw/zinc/53/09/47/812530947.db2.gz PTWVNLXUHKTWMO-CVEARBPZSA-N 1 2 284.359 0.952 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001038992097 812536216 /nfs/dbraw/zinc/53/62/16/812536216.db2.gz NZEDHELEVMVUQM-WFASDCNBSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001038992097 812536228 /nfs/dbraw/zinc/53/62/28/812536228.db2.gz NZEDHELEVMVUQM-WFASDCNBSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)[C@@H](O)C1 ZINC001083613127 815542417 /nfs/dbraw/zinc/54/24/17/815542417.db2.gz FFOVDPSBCFOSOE-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)[C@@H](O)C1 ZINC001083613127 815542420 /nfs/dbraw/zinc/54/24/20/815542420.db2.gz FFOVDPSBCFOSOE-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO C=CCCC(=O)NC/C=C\C[NH2+][C@@H](C)c1nnnn1C ZINC001268525081 812769273 /nfs/dbraw/zinc/76/92/73/812769273.db2.gz QVQCKSUBJOPGDE-ZADCQDASSA-N 1 2 278.360 0.499 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083335453 812882620 /nfs/dbraw/zinc/88/26/20/812882620.db2.gz NXBAQUXJJRJAJS-KGLIPLIRSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083335453 812882629 /nfs/dbraw/zinc/88/26/29/812882629.db2.gz NXBAQUXJJRJAJS-KGLIPLIRSA-N 1 2 276.336 0.695 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001268818612 813101480 /nfs/dbraw/zinc/10/14/80/813101480.db2.gz PLFKGKTWZVUATD-GFCCVEGCSA-N 1 2 279.384 0.383 20 30 CCEDLO C=C(C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001268833270 813106005 /nfs/dbraw/zinc/10/60/05/813106005.db2.gz JPWLSCUIMOLWJU-GFCCVEGCSA-N 1 2 265.357 0.279 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C(C)C)C1 ZINC001268883442 813129883 /nfs/dbraw/zinc/12/98/83/813129883.db2.gz LELZMUPRQRWLJU-GFCCVEGCSA-N 1 2 279.384 0.076 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001268891573 813135842 /nfs/dbraw/zinc/13/58/42/813135842.db2.gz DWNJRFBZUZFVFX-UHFFFAOYSA-N 1 2 285.775 0.313 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001038052593 815594668 /nfs/dbraw/zinc/59/46/68/815594668.db2.gz LEASZAQFJIMFLY-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001038052593 815594674 /nfs/dbraw/zinc/59/46/74/815594674.db2.gz LEASZAQFJIMFLY-JTQLQIEISA-N 1 2 264.354 0.674 20 30 CCEDLO C=CCOCCC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268989887 813170678 /nfs/dbraw/zinc/17/06/78/813170678.db2.gz CRCDCUZCBCSZBU-UHFFFAOYSA-N 1 2 290.367 0.647 20 30 CCEDLO CC1(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001269183047 813252819 /nfs/dbraw/zinc/25/28/19/813252819.db2.gz SFXKNRADOKPPQJ-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001269183047 813252825 /nfs/dbraw/zinc/25/28/25/813252825.db2.gz SFXKNRADOKPPQJ-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001269210761 813269494 /nfs/dbraw/zinc/26/94/94/813269494.db2.gz NNLXFWNHCCNDFL-AWEZNQCLSA-N 1 2 291.351 0.366 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001269210761 813269498 /nfs/dbraw/zinc/26/94/98/813269498.db2.gz NNLXFWNHCCNDFL-AWEZNQCLSA-N 1 2 291.351 0.366 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001269224543 813273910 /nfs/dbraw/zinc/27/39/10/813273910.db2.gz WREBHZVSXDIHPR-SWLSCSKDSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001269224543 813273917 /nfs/dbraw/zinc/27/39/17/813273917.db2.gz WREBHZVSXDIHPR-SWLSCSKDSA-N 1 2 292.383 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(COC)CCOCC1 ZINC001269241966 813286274 /nfs/dbraw/zinc/28/62/74/813286274.db2.gz ZDJBXJWIKJSGRA-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(COC)CCOCC1 ZINC001269241966 813286277 /nfs/dbraw/zinc/28/62/77/813286277.db2.gz ZDJBXJWIKJSGRA-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001269241901 813286438 /nfs/dbraw/zinc/28/64/38/813286438.db2.gz ZTBDBWDWZKAVLZ-ZDUSSCGKSA-N 1 2 287.367 0.261 20 30 CCEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001269241901 813286440 /nfs/dbraw/zinc/28/64/40/813286440.db2.gz ZTBDBWDWZKAVLZ-ZDUSSCGKSA-N 1 2 287.367 0.261 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001269249920 813290715 /nfs/dbraw/zinc/29/07/15/813290715.db2.gz WVIPGWTUKTXFSE-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001269249920 813290721 /nfs/dbraw/zinc/29/07/21/813290721.db2.gz WVIPGWTUKTXFSE-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2OCC)C1 ZINC001269755811 813493904 /nfs/dbraw/zinc/49/39/04/813493904.db2.gz YEMMARZODYRQHK-UONOGXRCSA-N 1 2 282.384 0.757 20 30 CCEDLO C#CCCCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001269781062 813507734 /nfs/dbraw/zinc/50/77/34/813507734.db2.gz PKVSVZHQCJZVOB-UHFFFAOYSA-N 1 2 275.356 0.224 20 30 CCEDLO C=CCN1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001269899043 813550415 /nfs/dbraw/zinc/55/04/15/813550415.db2.gz IQPNKPVYAIIXNB-UHFFFAOYSA-N 1 2 262.357 0.992 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001270628613 813854972 /nfs/dbraw/zinc/85/49/72/813854972.db2.gz HHYOKNWBRUBNLJ-CYBMUJFWSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001270628613 813854981 /nfs/dbraw/zinc/85/49/81/813854981.db2.gz HHYOKNWBRUBNLJ-CYBMUJFWSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)COCC(F)F)C1 ZINC001270663952 813880930 /nfs/dbraw/zinc/88/09/30/813880930.db2.gz BMYMIDANVFZNOH-SNVBAGLBSA-N 1 2 278.299 0.271 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)COCC(F)F)C1 ZINC001270663952 813880940 /nfs/dbraw/zinc/88/09/40/813880940.db2.gz BMYMIDANVFZNOH-SNVBAGLBSA-N 1 2 278.299 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083650315 815608845 /nfs/dbraw/zinc/60/88/45/815608845.db2.gz PQIMBMXLEYIAIR-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083650315 815608850 /nfs/dbraw/zinc/60/88/50/815608850.db2.gz PQIMBMXLEYIAIR-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccccc3C#N)C[C@@H]21 ZINC001271652650 814506186 /nfs/dbraw/zinc/50/61/86/814506186.db2.gz ISOHVZULAGYVII-GJZGRUSLSA-N 1 2 285.347 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3ccccc3C#N)C[C@@H]21 ZINC001271652650 814506190 /nfs/dbraw/zinc/50/61/90/814506190.db2.gz ISOHVZULAGYVII-GJZGRUSLSA-N 1 2 285.347 0.642 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001105419405 814623717 /nfs/dbraw/zinc/62/37/17/814623717.db2.gz XETKXOBZGLRZQV-UHFFFAOYSA-N 1 2 298.350 0.745 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)[C@H]1C ZINC001088474190 814725517 /nfs/dbraw/zinc/72/55/17/814725517.db2.gz BQMDCXMWWMXLJL-WOPDTQHZSA-N 1 2 288.775 0.733 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)[C@H]1C ZINC001088474190 814725520 /nfs/dbraw/zinc/72/55/20/814725520.db2.gz BQMDCXMWWMXLJL-WOPDTQHZSA-N 1 2 288.775 0.733 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228849276 814851599 /nfs/dbraw/zinc/85/15/99/814851599.db2.gz MJKDHGRHWMQRKG-HBKXCPMBSA-N 1 2 251.261 0.607 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228849276 814851603 /nfs/dbraw/zinc/85/16/03/814851603.db2.gz MJKDHGRHWMQRKG-HBKXCPMBSA-N 1 2 251.261 0.607 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 ZINC001211912642 814865863 /nfs/dbraw/zinc/86/58/63/814865863.db2.gz XXHNWNLEYKKZME-IJLUTSLNSA-N 1 2 270.398 0.577 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 ZINC001211912642 814865858 /nfs/dbraw/zinc/86/58/58/814865858.db2.gz XXHNWNLEYKKZME-IJLUTSLNSA-N 1 2 270.398 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3ccncc32)[C@@H](O)C1 ZINC001083672324 815643256 /nfs/dbraw/zinc/64/32/56/815643256.db2.gz XHFOEZOPLOBHKW-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3ccncc32)[C@@H](O)C1 ZINC001083672324 815643260 /nfs/dbraw/zinc/64/32/60/815643260.db2.gz XHFOEZOPLOBHKW-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC2CCOCC2)C1 ZINC001030171446 815865171 /nfs/dbraw/zinc/86/51/71/815865171.db2.gz AOHMNJNFTRHPDM-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO Cn1cc(CC[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001030195057 815879672 /nfs/dbraw/zinc/87/96/72/815879672.db2.gz VLOOYKAWZMCXHQ-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n2CCC3)C1 ZINC001030460858 816047589 /nfs/dbraw/zinc/04/75/89/816047589.db2.gz AJOVKIZLYBKPIA-UHFFFAOYSA-N 1 2 258.325 0.267 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NC2CN(CC#N)C2)c[nH+]1 ZINC001030513903 816079515 /nfs/dbraw/zinc/07/95/15/816079515.db2.gz YNZQQEACKBTRPS-UHFFFAOYSA-N 1 2 261.329 0.251 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001030526018 816086311 /nfs/dbraw/zinc/08/63/11/816086311.db2.gz YRNSLWGDIVDEEB-ZDUSSCGKSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001030554978 816104383 /nfs/dbraw/zinc/10/43/83/816104383.db2.gz QTHBPVFQFWFBBV-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001030620410 816154068 /nfs/dbraw/zinc/15/40/68/816154068.db2.gz MIXAZRVGUXUXDC-UHFFFAOYSA-N 1 2 297.358 0.643 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001030634091 816171222 /nfs/dbraw/zinc/17/12/22/816171222.db2.gz FUHHOJHMXRPHNH-NSHDSACASA-N 1 2 280.372 0.154 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001030649170 816183596 /nfs/dbraw/zinc/18/35/96/816183596.db2.gz LBFVZZOWKNDZND-LLVKDONJSA-N 1 2 265.357 0.422 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@@H](O)C1 ZINC001083678453 816187532 /nfs/dbraw/zinc/18/75/32/816187532.db2.gz SODNYWIKVVVHTI-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@@H](O)C1 ZINC001083678453 816187540 /nfs/dbraw/zinc/18/75/40/816187540.db2.gz SODNYWIKVVVHTI-OLZOCXBDSA-N 1 2 291.351 0.596 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccn3ccnc3c2)C1 ZINC001030671699 816201255 /nfs/dbraw/zinc/20/12/55/816201255.db2.gz ZLYQMFJDWDDNOT-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncc3ccccn32)C1 ZINC001030674373 816204443 /nfs/dbraw/zinc/20/44/43/816204443.db2.gz CKQPRVAMSZZMQD-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001088991197 816207091 /nfs/dbraw/zinc/20/70/91/816207091.db2.gz NERYRDULUJBAQX-VWYCJHECSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001088991197 816207097 /nfs/dbraw/zinc/20/70/97/816207097.db2.gz NERYRDULUJBAQX-VWYCJHECSA-N 1 2 285.775 0.597 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OCC)C1 ZINC001030692169 816225027 /nfs/dbraw/zinc/22/50/27/816225027.db2.gz AXTJLUQEYMNDFM-DZGCQCFKSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001030698543 816232285 /nfs/dbraw/zinc/23/22/85/816232285.db2.gz TVSCMLUTNOQVQM-GFCCVEGCSA-N 1 2 287.367 0.054 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001030858173 816353286 /nfs/dbraw/zinc/35/32/86/816353286.db2.gz SSJAWYOLWOAFMV-GFCCVEGCSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001030858779 816357819 /nfs/dbraw/zinc/35/78/19/816357819.db2.gz GPJSRWVILQCWHM-CQSZACIVSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001030860787 816359618 /nfs/dbraw/zinc/35/96/18/816359618.db2.gz AYFPMBYAQOPULT-LLVKDONJSA-N 1 2 273.340 0.048 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030934966 816462666 /nfs/dbraw/zinc/46/26/66/816462666.db2.gz TYJKOUBCFHOUOL-GFCCVEGCSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn(C)c2OC)C1 ZINC001031038022 816594910 /nfs/dbraw/zinc/59/49/10/816594910.db2.gz PBVITCQNGMIHOR-UHFFFAOYSA-N 1 2 276.340 0.174 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031077350 816629232 /nfs/dbraw/zinc/62/92/32/816629232.db2.gz OZWXYKWQWGNAAR-KBPBESRZSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001031079652 816629893 /nfs/dbraw/zinc/62/98/93/816629893.db2.gz FSFVGOIZIHLPKL-NSHDSACASA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+](CCCF)C2)nn1 ZINC001031080108 816629957 /nfs/dbraw/zinc/62/99/57/816629957.db2.gz WAZUVAPZSWSCBE-UHFFFAOYSA-N 1 2 281.335 0.628 20 30 CCEDLO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001106362976 816748149 /nfs/dbraw/zinc/74/81/49/816748149.db2.gz WCDAYOUAXQPUIP-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)O)n2CC(C)C)CC1 ZINC001122702070 816759806 /nfs/dbraw/zinc/75/98/06/816759806.db2.gz DXTVRXHCHIOHNZ-CYBMUJFWSA-N 1 2 291.399 0.743 20 30 CCEDLO C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106597936 816817985 /nfs/dbraw/zinc/81/79/85/816817985.db2.gz CAPHESRFARXXOK-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001038575972 816818360 /nfs/dbraw/zinc/81/83/60/816818360.db2.gz LLPPNQJFYKRMND-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001038575972 816818367 /nfs/dbraw/zinc/81/83/67/816818367.db2.gz LLPPNQJFYKRMND-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C[C@H](CCNc1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598146 816820008 /nfs/dbraw/zinc/82/00/08/816820008.db2.gz DXJUIDFVHZSNCZ-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001031220424 816836327 /nfs/dbraw/zinc/83/63/27/816836327.db2.gz WPSFRHBIXPOMQN-JSGCOSHPSA-N 1 2 250.342 0.790 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNCC#N ZINC001106705119 816858990 /nfs/dbraw/zinc/85/89/90/816858990.db2.gz RYWSDVLDKDDLCD-GHMZBOCLSA-N 1 2 261.329 0.160 20 30 CCEDLO N#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001031245542 816880409 /nfs/dbraw/zinc/88/04/09/816880409.db2.gz BGWLCOXXMKNXNW-UHFFFAOYSA-N 1 2 282.307 0.205 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2OCC#C)C1 ZINC001031276163 816922197 /nfs/dbraw/zinc/92/21/97/816922197.db2.gz NSMNCXWLWRASGY-UHFFFAOYSA-N 1 2 283.331 0.531 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001031424794 817046430 /nfs/dbraw/zinc/04/64/30/817046430.db2.gz CTVYUUVZUYSGJZ-GFCCVEGCSA-N 1 2 289.383 0.525 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001031428684 817050354 /nfs/dbraw/zinc/05/03/54/817050354.db2.gz RDRDDAIGKIYHLG-LBPRGKRZSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001031473932 817070546 /nfs/dbraw/zinc/07/05/46/817070546.db2.gz QPQXCXYXVITETN-CQSZACIVSA-N 1 2 297.358 0.936 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031687089 817245096 /nfs/dbraw/zinc/24/50/96/817245096.db2.gz KQGYEXNMDWHTRF-AAEUAGOBSA-N 1 2 270.760 0.823 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127604174 817331541 /nfs/dbraw/zinc/33/15/41/817331541.db2.gz ADZSNEKVZMFKBP-OLZOCXBDSA-N 1 2 290.367 0.664 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031889937 817444765 /nfs/dbraw/zinc/44/47/65/817444765.db2.gz YTCFVOAHPVSTIG-UHFFFAOYSA-N 1 2 269.736 0.527 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001124489362 817485804 /nfs/dbraw/zinc/48/58/04/817485804.db2.gz YRZZCACWIZBSAF-SNVBAGLBSA-N 1 2 268.317 0.257 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031969436 817506965 /nfs/dbraw/zinc/50/69/65/817506965.db2.gz INIURLSHAZZWDW-GFCCVEGCSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncsc2C2CC2)[C@@H](O)C1 ZINC001083776321 817534137 /nfs/dbraw/zinc/53/41/37/817534137.db2.gz OWTMQURLLLNEJV-MNOVXSKESA-N 1 2 291.376 0.429 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncsc2C2CC2)[C@@H](O)C1 ZINC001083776321 817534143 /nfs/dbraw/zinc/53/41/43/817534143.db2.gz OWTMQURLLLNEJV-MNOVXSKESA-N 1 2 291.376 0.429 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001124908410 817631905 /nfs/dbraw/zinc/63/19/05/817631905.db2.gz KAFQIYJCFFIELP-BDAKNGLRSA-N 1 2 277.328 0.873 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1 ZINC001032281426 817779047 /nfs/dbraw/zinc/77/90/47/817779047.db2.gz BMNYFNYELRMIAQ-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1 ZINC001032281426 817779048 /nfs/dbraw/zinc/77/90/48/817779048.db2.gz BMNYFNYELRMIAQ-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107133448 817786868 /nfs/dbraw/zinc/78/68/68/817786868.db2.gz RUKPGYSDBVKNIT-LBPRGKRZSA-N 1 2 289.383 0.820 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)OC)nn2)C1 ZINC001107139620 817790210 /nfs/dbraw/zinc/79/02/10/817790210.db2.gz QWCSOSMLKVJKBX-NSHDSACASA-N 1 2 293.371 0.362 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107794128 818012455 /nfs/dbraw/zinc/01/24/55/818012455.db2.gz WZCNNEXMFAKVPK-HIFRSBDPSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107794128 818012464 /nfs/dbraw/zinc/01/24/64/818012464.db2.gz WZCNNEXMFAKVPK-HIFRSBDPSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107794130 818012609 /nfs/dbraw/zinc/01/26/09/818012609.db2.gz WZCNNEXMFAKVPK-ZFWWWQNUSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107794130 818012616 /nfs/dbraw/zinc/01/26/16/818012616.db2.gz WZCNNEXMFAKVPK-ZFWWWQNUSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107797759 818014508 /nfs/dbraw/zinc/01/45/08/818014508.db2.gz FHIXFCHKNBIUIY-OAHLLOKOSA-N 1 2 290.367 0.264 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107797759 818014518 /nfs/dbraw/zinc/01/45/18/818014518.db2.gz FHIXFCHKNBIUIY-OAHLLOKOSA-N 1 2 290.367 0.264 20 30 CCEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1O ZINC001032369420 818028269 /nfs/dbraw/zinc/02/82/69/818028269.db2.gz CMIQOSNAPSXYCD-RYUDHWBXSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1O ZINC001032369420 818028279 /nfs/dbraw/zinc/02/82/79/818028279.db2.gz CMIQOSNAPSXYCD-RYUDHWBXSA-N 1 2 271.320 0.709 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H](O)C1 ZINC001083810284 818068578 /nfs/dbraw/zinc/06/85/78/818068578.db2.gz RGFVDGUZGQSFHX-NEPJUHHUSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H](O)C1 ZINC001083810284 818068583 /nfs/dbraw/zinc/06/85/83/818068583.db2.gz RGFVDGUZGQSFHX-NEPJUHHUSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@H](OC)C1 ZINC001212500874 818221712 /nfs/dbraw/zinc/22/17/12/818221712.db2.gz TVFAJTGUPZWNGL-HUUCEWRRSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC2CCCCC2)[C@H](OC)C1 ZINC001212500874 818221718 /nfs/dbraw/zinc/22/17/18/818221718.db2.gz TVFAJTGUPZWNGL-HUUCEWRRSA-N 1 2 294.395 0.784 20 30 CCEDLO C=C(C)CN1C(=O)COCC12CN(Cc1c[nH+]cn1C)C2 ZINC001272997386 818285411 /nfs/dbraw/zinc/28/54/11/818285411.db2.gz YGAUZXOIEGTHAR-UHFFFAOYSA-N 1 2 290.367 0.409 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100886 818516387 /nfs/dbraw/zinc/51/63/87/818516387.db2.gz USHKCBFWPAOJNL-WDEREUQCSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100886 818516393 /nfs/dbraw/zinc/51/63/93/818516393.db2.gz USHKCBFWPAOJNL-WDEREUQCSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033172169 818595725 /nfs/dbraw/zinc/59/57/25/818595725.db2.gz PMSXNWBVTZTIGI-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033172169 818595733 /nfs/dbraw/zinc/59/57/33/818595733.db2.gz PMSXNWBVTZTIGI-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO COc1ccc(C#N)c(NC(=[NH2+])N2CCN(C)CC2)n1 ZINC001168746331 818626945 /nfs/dbraw/zinc/62/69/45/818626945.db2.gz KDZYUKZLTXDXBU-UHFFFAOYSA-N 1 2 274.328 0.556 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@@H]1CCN(CC#N)C1 ZINC001033180741 818630420 /nfs/dbraw/zinc/63/04/20/818630420.db2.gz BVULRXWFJBEHBV-CYBMUJFWSA-N 1 2 288.351 0.689 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCN(CC#N)C2)c[nH+]1 ZINC001033193226 818638153 /nfs/dbraw/zinc/63/81/53/818638153.db2.gz SGGCOSHSWFHSRC-ZDUSSCGKSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC001090134808 818715626 /nfs/dbraw/zinc/71/56/26/818715626.db2.gz RGVPSYXCLQMQBA-NEPJUHHUSA-N 1 2 278.356 0.378 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC001090134808 818715629 /nfs/dbraw/zinc/71/56/29/818715629.db2.gz RGVPSYXCLQMQBA-NEPJUHHUSA-N 1 2 278.356 0.378 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495178 818801741 /nfs/dbraw/zinc/80/17/41/818801741.db2.gz PQGFCGPWWZXHPK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495178 818801747 /nfs/dbraw/zinc/80/17/47/818801747.db2.gz PQGFCGPWWZXHPK-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001033575900 818834976 /nfs/dbraw/zinc/83/49/76/818834976.db2.gz DOAUFXTWZLSUHW-VXGBXAGGSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001033575900 818834981 /nfs/dbraw/zinc/83/49/81/818834981.db2.gz DOAUFXTWZLSUHW-VXGBXAGGSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001033575900 818834983 /nfs/dbraw/zinc/83/49/83/818834983.db2.gz DOAUFXTWZLSUHW-VXGBXAGGSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001033575900 818834988 /nfs/dbraw/zinc/83/49/88/818834988.db2.gz DOAUFXTWZLSUHW-VXGBXAGGSA-N 1 2 289.383 0.628 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nnn(C)n2)C1 ZINC001033923555 818998508 /nfs/dbraw/zinc/99/85/08/818998508.db2.gz RQCIFARYXBOXAS-JTQLQIEISA-N 1 2 298.778 0.499 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nnn(C)n2)C1 ZINC001033923555 818998511 /nfs/dbraw/zinc/99/85/11/818998511.db2.gz RQCIFARYXBOXAS-JTQLQIEISA-N 1 2 298.778 0.499 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090156456 819000699 /nfs/dbraw/zinc/00/06/99/819000699.db2.gz UJYJUUWWRZVIQA-VXGBXAGGSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090156456 819000703 /nfs/dbraw/zinc/00/07/03/819000703.db2.gz UJYJUUWWRZVIQA-VXGBXAGGSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216911 819216241 /nfs/dbraw/zinc/21/62/41/819216241.db2.gz ORIDFEFEXXWEEF-NWDGAFQWSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090216911 819216245 /nfs/dbraw/zinc/21/62/45/819216245.db2.gz ORIDFEFEXXWEEF-NWDGAFQWSA-N 1 2 296.758 0.394 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001108136095 819280931 /nfs/dbraw/zinc/28/09/31/819280931.db2.gz MLWRAWPQQJLBCW-SNVBAGLBSA-N 1 2 299.338 0.539 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108160721 819333890 /nfs/dbraw/zinc/33/38/90/819333890.db2.gz RWFYSFSKOPLPAS-HUUCEWRRSA-N 1 2 298.358 0.345 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108160721 819333898 /nfs/dbraw/zinc/33/38/98/819333898.db2.gz RWFYSFSKOPLPAS-HUUCEWRRSA-N 1 2 298.358 0.345 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034887120 819355752 /nfs/dbraw/zinc/35/57/52/819355752.db2.gz SRMQTCBNLLNBRH-MWLCHTKSSA-N 1 2 279.369 0.778 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2ncccn2)CCC1 ZINC001129120781 819418136 /nfs/dbraw/zinc/41/81/36/819418136.db2.gz CKJUDWBNBLPGSE-UHFFFAOYSA-N 1 2 272.352 0.876 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001035275757 819444298 /nfs/dbraw/zinc/44/42/98/819444298.db2.gz JXIBHVWUTMQAPV-LBPRGKRZSA-N 1 2 282.340 0.268 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001035275757 819444306 /nfs/dbraw/zinc/44/43/06/819444306.db2.gz JXIBHVWUTMQAPV-LBPRGKRZSA-N 1 2 282.340 0.268 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035278164 819445972 /nfs/dbraw/zinc/44/59/72/819445972.db2.gz XJNCDABHHAYQNV-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035278164 819445975 /nfs/dbraw/zinc/44/59/75/819445975.db2.gz XJNCDABHHAYQNV-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2scnc2C)C1 ZINC001035297883 819469902 /nfs/dbraw/zinc/46/99/02/819469902.db2.gz GLWLSQNXDAIOKX-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2scnc2C)C1 ZINC001035297883 819469906 /nfs/dbraw/zinc/46/99/06/819469906.db2.gz GLWLSQNXDAIOKX-GFCCVEGCSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035329087 819474384 /nfs/dbraw/zinc/47/43/84/819474384.db2.gz YYZVSDUUUAEJFW-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035329087 819474386 /nfs/dbraw/zinc/47/43/86/819474386.db2.gz YYZVSDUUUAEJFW-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035337138 819478826 /nfs/dbraw/zinc/47/88/26/819478826.db2.gz QCUNNITUCLIBPK-CQSZACIVSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035337138 819478828 /nfs/dbraw/zinc/47/88/28/819478828.db2.gz QCUNNITUCLIBPK-CQSZACIVSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035342092 819482134 /nfs/dbraw/zinc/48/21/34/819482134.db2.gz YIWLJNZAVRUFSB-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035342092 819482139 /nfs/dbraw/zinc/48/21/39/819482139.db2.gz YIWLJNZAVRUFSB-LBPRGKRZSA-N 1 2 279.315 0.837 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001038559690 819486565 /nfs/dbraw/zinc/48/65/65/819486565.db2.gz LZLUOGCQGZEOQL-ZDUSSCGKSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001038559690 819486571 /nfs/dbraw/zinc/48/65/71/819486571.db2.gz LZLUOGCQGZEOQL-ZDUSSCGKSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035350181 819494721 /nfs/dbraw/zinc/49/47/21/819494721.db2.gz OUZWUANWSDQYMO-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035350181 819494724 /nfs/dbraw/zinc/49/47/24/819494724.db2.gz OUZWUANWSDQYMO-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001035404427 819513112 /nfs/dbraw/zinc/51/31/12/819513112.db2.gz LMLFDDGNARDHRT-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001035404427 819513116 /nfs/dbraw/zinc/51/31/16/819513116.db2.gz LMLFDDGNARDHRT-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001035429235 819514222 /nfs/dbraw/zinc/51/42/22/819514222.db2.gz FNZHDXHKYUHUTF-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001035429235 819514234 /nfs/dbraw/zinc/51/42/34/819514234.db2.gz FNZHDXHKYUHUTF-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001035429235 819514238 /nfs/dbraw/zinc/51/42/38/819514238.db2.gz FNZHDXHKYUHUTF-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)cc1 ZINC001035472197 819528961 /nfs/dbraw/zinc/52/89/61/819528961.db2.gz YYUGKUMTSYGVLD-OAHLLOKOSA-N 1 2 288.347 0.091 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)cc1 ZINC001035472197 819528967 /nfs/dbraw/zinc/52/89/67/819528967.db2.gz YYUGKUMTSYGVLD-OAHLLOKOSA-N 1 2 288.347 0.091 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001035591316 819579086 /nfs/dbraw/zinc/57/90/86/819579086.db2.gz UVAIBMYMYDQWPK-LLVKDONJSA-N 1 2 289.339 0.279 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001035591316 819579089 /nfs/dbraw/zinc/57/90/89/819579089.db2.gz UVAIBMYMYDQWPK-LLVKDONJSA-N 1 2 289.339 0.279 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001035628127 819584765 /nfs/dbraw/zinc/58/47/65/819584765.db2.gz SHFMLPMETVDHJA-ZDUSSCGKSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001035628127 819584771 /nfs/dbraw/zinc/58/47/71/819584771.db2.gz SHFMLPMETVDHJA-ZDUSSCGKSA-N 1 2 292.383 0.599 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001079558701 820426783 /nfs/dbraw/zinc/42/67/83/820426783.db2.gz JHEKHJPQUQKAMK-ADEWGFFLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001079558701 820426786 /nfs/dbraw/zinc/42/67/86/820426786.db2.gz JHEKHJPQUQKAMK-ADEWGFFLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001080749494 820630741 /nfs/dbraw/zinc/63/07/41/820630741.db2.gz PORPCBGFFDMOQE-PSASIEDQSA-N 1 2 283.763 0.536 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001080749494 820630745 /nfs/dbraw/zinc/63/07/45/820630745.db2.gz PORPCBGFFDMOQE-PSASIEDQSA-N 1 2 283.763 0.536 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001081290981 820733120 /nfs/dbraw/zinc/73/31/20/820733120.db2.gz SDIMPNPMRDHJGY-DGCLKSJQSA-N 1 2 262.309 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001081290981 820733129 /nfs/dbraw/zinc/73/31/29/820733129.db2.gz SDIMPNPMRDHJGY-DGCLKSJQSA-N 1 2 262.309 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001081458052 820767305 /nfs/dbraw/zinc/76/73/05/820767305.db2.gz FIYVNZDIILQPGQ-CHWSQXEVSA-N 1 2 290.367 0.479 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001081458052 820767309 /nfs/dbraw/zinc/76/73/09/820767309.db2.gz FIYVNZDIILQPGQ-CHWSQXEVSA-N 1 2 290.367 0.479 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001081560180 820788572 /nfs/dbraw/zinc/78/85/72/820788572.db2.gz QVMPEDDZRUMENN-CHWSQXEVSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001081560180 820788581 /nfs/dbraw/zinc/78/85/81/820788581.db2.gz QVMPEDDZRUMENN-CHWSQXEVSA-N 1 2 293.392 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001081543538 820794482 /nfs/dbraw/zinc/79/44/82/820794482.db2.gz AOJWUVQJKINKMZ-FRRDWIJNSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001081543538 820794486 /nfs/dbraw/zinc/79/44/86/820794486.db2.gz AOJWUVQJKINKMZ-FRRDWIJNSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@H](OC)C1 ZINC001082229084 820922079 /nfs/dbraw/zinc/92/20/79/820922079.db2.gz VLGCGVFGIFFKJB-VXGBXAGGSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@H](OC)C1 ZINC001082229084 820922090 /nfs/dbraw/zinc/92/20/90/820922090.db2.gz VLGCGVFGIFFKJB-VXGBXAGGSA-N 1 2 291.351 0.608 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 ZINC001082290146 820932198 /nfs/dbraw/zinc/93/21/98/820932198.db2.gz LKQRYUXGFCEVSF-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 ZINC001082290146 820932211 /nfs/dbraw/zinc/93/22/11/820932211.db2.gz LKQRYUXGFCEVSF-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001082525267 820994127 /nfs/dbraw/zinc/99/41/27/820994127.db2.gz IEXGXOXXPOMFDQ-HLTSFMKQSA-N 1 2 266.238 0.957 20 30 CCEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001082525267 820994135 /nfs/dbraw/zinc/99/41/35/820994135.db2.gz IEXGXOXXPOMFDQ-HLTSFMKQSA-N 1 2 266.238 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)C3CCC3)[C@H]2C1 ZINC001083154520 821147881 /nfs/dbraw/zinc/14/78/81/821147881.db2.gz ZLGZCDNSQCMHHB-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](OC)C3CCC3)[C@H]2C1 ZINC001083154520 821147885 /nfs/dbraw/zinc/14/78/85/821147885.db2.gz ZLGZCDNSQCMHHB-ZNMIVQPWSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(F)(F)F)[C@H]2C1 ZINC001083163883 821151563 /nfs/dbraw/zinc/15/15/63/821151563.db2.gz BJWTXANECJRRIF-GARJFASQSA-N 1 2 290.285 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(F)(F)F)[C@H]2C1 ZINC001083163883 821151569 /nfs/dbraw/zinc/15/15/69/821151569.db2.gz BJWTXANECJRRIF-GARJFASQSA-N 1 2 290.285 0.730 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](O)C1 ZINC001084045872 821187822 /nfs/dbraw/zinc/18/78/22/821187822.db2.gz IMPWPJRLLHPKQI-MNOVXSKESA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](O)C1 ZINC001084045872 821187824 /nfs/dbraw/zinc/18/78/24/821187824.db2.gz IMPWPJRLLHPKQI-MNOVXSKESA-N 1 2 279.340 0.506 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)no3)[C@@H]2C1 ZINC001084295141 821253719 /nfs/dbraw/zinc/25/37/19/821253719.db2.gz KLIIKFWQAHRHCM-GHMZBOCLSA-N 1 2 275.308 0.463 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)no3)[C@@H]2C1 ZINC001084295141 821253725 /nfs/dbraw/zinc/25/37/25/821253725.db2.gz KLIIKFWQAHRHCM-GHMZBOCLSA-N 1 2 275.308 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084522863 821304011 /nfs/dbraw/zinc/30/40/11/821304011.db2.gz MFVCYQHUKFARMP-HUUCEWRRSA-N 1 2 286.379 0.748 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084522863 821304021 /nfs/dbraw/zinc/30/40/21/821304021.db2.gz MFVCYQHUKFARMP-HUUCEWRRSA-N 1 2 286.379 0.748 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001084522863 821304041 /nfs/dbraw/zinc/30/40/41/821304041.db2.gz MFVCYQHUKFARMP-HUUCEWRRSA-N 1 2 286.379 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085611555 821851184 /nfs/dbraw/zinc/85/11/84/821851184.db2.gz VIOAYJYAWURYMY-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085611555 821851192 /nfs/dbraw/zinc/85/11/92/821851192.db2.gz VIOAYJYAWURYMY-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643687 821867127 /nfs/dbraw/zinc/86/71/27/821867127.db2.gz VTJIMCPITRJCKN-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643687 821867134 /nfs/dbraw/zinc/86/71/34/821867134.db2.gz VTJIMCPITRJCKN-GFCCVEGCSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1COC ZINC001085681457 821893675 /nfs/dbraw/zinc/89/36/75/821893675.db2.gz ZCTKYSCIWQBJDI-GFCCVEGCSA-N 1 2 290.367 0.346 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1COC ZINC001085681457 821893682 /nfs/dbraw/zinc/89/36/82/821893682.db2.gz ZCTKYSCIWQBJDI-GFCCVEGCSA-N 1 2 290.367 0.346 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085716484 821916981 /nfs/dbraw/zinc/91/69/81/821916981.db2.gz MZLDLGFZVXKBEC-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085716484 821916992 /nfs/dbraw/zinc/91/69/92/821916992.db2.gz MZLDLGFZVXKBEC-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1OC ZINC001085850260 821981837 /nfs/dbraw/zinc/98/18/37/821981837.db2.gz RPQQFKWOEDCUBX-GFCCVEGCSA-N 1 2 290.367 0.517 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1OC ZINC001085850260 821981843 /nfs/dbraw/zinc/98/18/43/821981843.db2.gz RPQQFKWOEDCUBX-GFCCVEGCSA-N 1 2 290.367 0.517 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085856828 821982042 /nfs/dbraw/zinc/98/20/42/821982042.db2.gz JTKIGHUXDPLGMV-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085856828 821982048 /nfs/dbraw/zinc/98/20/48/821982048.db2.gz JTKIGHUXDPLGMV-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc2ncccn2n1 ZINC001085883731 821998641 /nfs/dbraw/zinc/99/86/41/821998641.db2.gz LQWNUZAUAFKIOE-LBPRGKRZSA-N 1 2 298.350 0.294 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc2ncccn2n1 ZINC001085883731 821998647 /nfs/dbraw/zinc/99/86/47/821998647.db2.gz LQWNUZAUAFKIOE-LBPRGKRZSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897011 822009023 /nfs/dbraw/zinc/00/90/23/822009023.db2.gz TXJKGZSWQCZDCJ-ZDUSSCGKSA-N 1 2 289.383 0.947 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897011 822009032 /nfs/dbraw/zinc/00/90/32/822009032.db2.gz TXJKGZSWQCZDCJ-ZDUSSCGKSA-N 1 2 289.383 0.947 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nn1 ZINC001085929818 822020638 /nfs/dbraw/zinc/02/06/38/822020638.db2.gz HKSRKDLCDJKYSH-GFCCVEGCSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nn1 ZINC001085929818 822020646 /nfs/dbraw/zinc/02/06/46/822020646.db2.gz HKSRKDLCDJKYSH-GFCCVEGCSA-N 1 2 287.367 0.322 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nonc1C ZINC001086000773 822062927 /nfs/dbraw/zinc/06/29/27/822062927.db2.gz QHOJPJNOIPUJRV-NSHDSACASA-N 1 2 262.313 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nonc1C ZINC001086000773 822062934 /nfs/dbraw/zinc/06/29/34/822062934.db2.gz QHOJPJNOIPUJRV-NSHDSACASA-N 1 2 262.313 0.548 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OCC)cn1 ZINC001086004676 822067348 /nfs/dbraw/zinc/06/73/48/822067348.db2.gz MAUAZTHNRNAYSP-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OCC)cn1 ZINC001086004676 822067354 /nfs/dbraw/zinc/06/73/54/822067354.db2.gz MAUAZTHNRNAYSP-LBPRGKRZSA-N 1 2 288.351 0.655 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001100042905 822151545 /nfs/dbraw/zinc/15/15/45/822151545.db2.gz UBABMCIYHJFZEJ-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(C)ccc1C#N ZINC001157771132 837413773 /nfs/dbraw/zinc/41/37/73/837413773.db2.gz YNOVPZDFXBVFQK-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(C)ccc1C#N ZINC001157771132 837413780 /nfs/dbraw/zinc/41/37/80/837413780.db2.gz YNOVPZDFXBVFQK-GFCCVEGCSA-N 1 2 274.324 0.555 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114067575 837421992 /nfs/dbraw/zinc/42/19/92/837421992.db2.gz UEHRSEOAGWQEBM-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114067575 837421995 /nfs/dbraw/zinc/42/19/95/837421995.db2.gz UEHRSEOAGWQEBM-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114063426 837424307 /nfs/dbraw/zinc/42/43/07/837424307.db2.gz CLZUMUVANHXCFQ-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)n1 ZINC001114063426 837424312 /nfs/dbraw/zinc/42/43/12/837424312.db2.gz CLZUMUVANHXCFQ-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)cn2)C1 ZINC001108346389 835976615 /nfs/dbraw/zinc/97/66/15/835976615.db2.gz IYQUDRAFEVKQQR-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)cn2)C1 ZINC001108346389 835976626 /nfs/dbraw/zinc/97/66/26/835976626.db2.gz IYQUDRAFEVKQQR-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)cc(C)c2C#N)C[NH2+]1 ZINC001169132497 836148304 /nfs/dbraw/zinc/14/83/04/836148304.db2.gz NRDZMYYCWRGEMQ-PWSUYJOCSA-N 1 2 274.324 0.886 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)CO1 ZINC001169401971 836249751 /nfs/dbraw/zinc/24/97/51/836249751.db2.gz AQOMWEDOLVFABZ-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)CO1 ZINC001169401971 836249754 /nfs/dbraw/zinc/24/97/54/836249754.db2.gz AQOMWEDOLVFABZ-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO C=C[C@@H](CO)Nc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001169780284 836442879 /nfs/dbraw/zinc/44/28/79/836442879.db2.gz QTSQWHBOXLXUGL-ULCDLSAGSA-N 1 2 266.326 0.654 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109079746 836612933 /nfs/dbraw/zinc/61/29/33/836612933.db2.gz ADZDULYZZBXKMT-RNJOBUHISA-N 1 2 292.383 0.392 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109079746 836612944 /nfs/dbraw/zinc/61/29/44/836612944.db2.gz ADZDULYZZBXKMT-RNJOBUHISA-N 1 2 292.383 0.392 20 30 CCEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109245450 836645652 /nfs/dbraw/zinc/64/56/52/836645652.db2.gz RBMRKZNSFGQAEB-AGIUHOORSA-N 1 2 277.368 0.113 20 30 CCEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109245450 836645658 /nfs/dbraw/zinc/64/56/58/836645658.db2.gz RBMRKZNSFGQAEB-AGIUHOORSA-N 1 2 277.368 0.113 20 30 CCEDLO C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255083 836648730 /nfs/dbraw/zinc/64/87/30/836648730.db2.gz LLLCQISJCNPLDQ-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C2=COCCO2)CC1 ZINC001112600525 836813315 /nfs/dbraw/zinc/81/33/15/836813315.db2.gz CDHRKQIMUIHBHW-UHFFFAOYSA-N 1 2 282.340 0.221 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncnc2)CC1 ZINC001112782071 836910550 /nfs/dbraw/zinc/91/05/50/836910550.db2.gz BXBAWWIFHIWPGK-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(OC)no2)CC1 ZINC001112782473 836911111 /nfs/dbraw/zinc/91/11/11/836911111.db2.gz VSADICLEJGEOKB-UHFFFAOYSA-N 1 2 295.339 0.644 20 30 CCEDLO COCC#CCN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808956 836922480 /nfs/dbraw/zinc/92/24/80/836922480.db2.gz URTMLYJZYWMXTI-UHFFFAOYSA-N 1 2 290.367 0.136 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nccc(C)n2)CC1 ZINC001112813406 836923729 /nfs/dbraw/zinc/92/37/29/836923729.db2.gz XKCZPKBGWRUKBN-UHFFFAOYSA-N 1 2 290.367 0.745 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 ZINC001112919478 836966539 /nfs/dbraw/zinc/96/65/39/836966539.db2.gz DQZFHOZBXBZIFB-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCC1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC001112951850 836977929 /nfs/dbraw/zinc/97/79/29/836977929.db2.gz YLTZXHZSVOTMOA-UHFFFAOYSA-N 1 2 250.342 0.317 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1ccc(C#N)nn1 ZINC001113081843 837018814 /nfs/dbraw/zinc/01/88/14/837018814.db2.gz KDWLEPKTLWLJIN-GHMZBOCLSA-N 1 2 299.338 0.550 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2ncc(C)o2)CC1 ZINC001113088715 837020221 /nfs/dbraw/zinc/02/02/21/837020221.db2.gz FVMIPKFPHSOMMA-UHFFFAOYSA-N 1 2 279.340 0.830 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001113126198 837030568 /nfs/dbraw/zinc/03/05/68/837030568.db2.gz BOLUDZGGXJQTRN-UONOGXRCSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CNC(C)=O)CC1 ZINC001113423787 837114004 /nfs/dbraw/zinc/11/40/04/837114004.db2.gz QQULITGHADYAJP-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001113603442 837175679 /nfs/dbraw/zinc/17/56/79/837175679.db2.gz GPRQSWOXOQMDJH-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001113676067 837192578 /nfs/dbraw/zinc/19/25/78/837192578.db2.gz FBJDIXPXQLAPGL-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C#CCN1CC2(C[NH+](CCCc3cccnc3)C2)OCC1=O ZINC001273493839 844297890 /nfs/dbraw/zinc/29/78/90/844297890.db2.gz SVNFIUPVTOPQDX-UHFFFAOYSA-N 1 2 299.374 0.561 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131898863 838261443 /nfs/dbraw/zinc/26/14/43/838261443.db2.gz GJOUJHINSZZRMM-STQMWFEESA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131898863 838261450 /nfs/dbraw/zinc/26/14/50/838261450.db2.gz GJOUJHINSZZRMM-STQMWFEESA-N 1 2 292.383 0.561 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001133194502 838573294 /nfs/dbraw/zinc/57/32/94/838573294.db2.gz GTZNAVAVFABDHY-NWDGAFQWSA-N 1 2 275.356 0.550 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001135147535 839169940 /nfs/dbraw/zinc/16/99/40/839169940.db2.gz LCTZBMYTFQXDBJ-RYUDHWBXSA-N 1 2 296.396 0.725 20 30 CCEDLO C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)NCC#N ZINC001135944519 839475427 /nfs/dbraw/zinc/47/54/27/839475427.db2.gz KZVZPCUPTGZBFY-MNOVXSKESA-N 1 2 263.345 0.359 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c1 ZINC001090558759 839642090 /nfs/dbraw/zinc/64/20/90/839642090.db2.gz GKGWZKIQDRASOC-KBPBESRZSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c1 ZINC001090558759 839642102 /nfs/dbraw/zinc/64/21/02/839642102.db2.gz GKGWZKIQDRASOC-KBPBESRZSA-N 1 2 291.326 0.197 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(C)=O)C2)nn1 ZINC001185832335 844464600 /nfs/dbraw/zinc/46/46/00/844464600.db2.gz HPMOMFBWXUWKFT-AWEZNQCLSA-N 1 2 275.356 0.574 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnn(C)c2C(=O)OCC)CC1 ZINC001136910001 839806497 /nfs/dbraw/zinc/80/64/97/839806497.db2.gz KWNABXAMSBKAJR-UHFFFAOYSA-N 1 2 290.367 0.348 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001149143564 839868287 /nfs/dbraw/zinc/86/82/87/839868287.db2.gz JKLXGJRRFSYQJD-CQSZACIVSA-N 1 2 280.368 0.586 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001149143564 839868294 /nfs/dbraw/zinc/86/82/94/839868294.db2.gz JKLXGJRRFSYQJD-CQSZACIVSA-N 1 2 280.368 0.586 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105674 840049589 /nfs/dbraw/zinc/04/95/89/840049589.db2.gz PKSKFVMQZKMKFE-OTTFEQOBSA-N 1 2 287.367 0.453 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C2=C[S@](=O)CCC2)CC1 ZINC001147291341 840551108 /nfs/dbraw/zinc/55/11/08/840551108.db2.gz RGKXOEMINSKQFP-LJQANCHMSA-N 1 2 280.393 0.580 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C2=C[S@](=O)CCC2)CC1 ZINC001147291341 840551117 /nfs/dbraw/zinc/55/11/17/840551117.db2.gz RGKXOEMINSKQFP-LJQANCHMSA-N 1 2 280.393 0.580 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2c(c[nH+]1)CC(=O)N2 ZINC001171363335 840953425 /nfs/dbraw/zinc/95/34/25/840953425.db2.gz YHESLKFBBBGWEA-KGFZYKRKSA-N 1 2 262.269 0.224 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(C)=O)c1nccn12 ZINC001092339829 841011512 /nfs/dbraw/zinc/01/15/12/841011512.db2.gz NNEPVZNWZXUJSA-GFCCVEGCSA-N 1 2 258.325 0.498 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(C#N)cn1 ZINC001093777175 841469075 /nfs/dbraw/zinc/46/90/75/841469075.db2.gz WGKAANKCPZGCTL-UHFFFAOYSA-N 1 2 284.323 0.756 20 30 CCEDLO N#Cc1cncc(NCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001094024749 841513543 /nfs/dbraw/zinc/51/35/43/841513543.db2.gz WLPQYOVVXQWETC-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO C=CCn1cc(C(=O)NCCNc2cc[nH+]c(C)n2)nn1 ZINC001094168144 841554573 /nfs/dbraw/zinc/55/45/73/841554573.db2.gz VBGMSVFPHADPQQ-UHFFFAOYSA-N 1 2 287.327 0.404 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ccco3)nn2)C1 ZINC001094270219 841577115 /nfs/dbraw/zinc/57/71/15/841577115.db2.gz NBPFYFVBIWGTRB-UHFFFAOYSA-N 1 2 299.334 0.681 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3CC)nn2)C1 ZINC001094321191 841598070 /nfs/dbraw/zinc/59/80/70/841598070.db2.gz GVRQBSJFGKYGGV-BXUZGUMPSA-N 1 2 289.383 0.983 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001094549878 841672342 /nfs/dbraw/zinc/67/23/42/841672342.db2.gz VDIXQNCOWTZCKE-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3CCC3)CC2=O)C1 ZINC001094694987 841707729 /nfs/dbraw/zinc/70/77/29/841707729.db2.gz KQCGZANDEWQHKR-ZDUSSCGKSA-N 1 2 291.395 0.764 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957018 842468876 /nfs/dbraw/zinc/46/88/76/842468876.db2.gz MNUUSYWMCAWRGL-UONOGXRCSA-N 1 2 299.378 0.622 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177079574 842501405 /nfs/dbraw/zinc/50/14/05/842501405.db2.gz DRKIGZBCNPTOOD-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177079574 842501415 /nfs/dbraw/zinc/50/14/15/842501415.db2.gz DRKIGZBCNPTOOD-LSDHHAIUSA-N 1 2 294.395 0.474 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177997701 842721892 /nfs/dbraw/zinc/72/18/92/842721892.db2.gz DMAZCFTVDBOWDY-UHFFFAOYSA-N 1 2 264.329 0.541 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001179028838 842960060 /nfs/dbraw/zinc/96/00/60/842960060.db2.gz DYTYKZGXSXPZHY-SNVBAGLBSA-N 1 2 265.313 0.822 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001179028838 842960066 /nfs/dbraw/zinc/96/00/66/842960066.db2.gz DYTYKZGXSXPZHY-SNVBAGLBSA-N 1 2 265.313 0.822 20 30 CCEDLO CC#CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001179751590 843046880 /nfs/dbraw/zinc/04/68/80/843046880.db2.gz HNQGVTDSZCCQHS-UHFFFAOYSA-N 1 2 257.337 0.792 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N(CC#N)Cc2ccccc2)C1 ZINC001180759465 843281628 /nfs/dbraw/zinc/28/16/28/843281628.db2.gz OWUAWSGXZHWLTL-CQSZACIVSA-N 1 2 273.336 0.869 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N(CC#N)Cc2ccccc2)C1 ZINC001180759465 843281634 /nfs/dbraw/zinc/28/16/34/843281634.db2.gz OWUAWSGXZHWLTL-CQSZACIVSA-N 1 2 273.336 0.869 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C#N)cc2O)C1 ZINC001180761820 843292820 /nfs/dbraw/zinc/29/28/20/843292820.db2.gz OZRSSWGJQCXXCB-LBPRGKRZSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C#N)cc2O)C1 ZINC001180761820 843292826 /nfs/dbraw/zinc/29/28/26/843292826.db2.gz OZRSSWGJQCXXCB-LBPRGKRZSA-N 1 2 261.281 0.533 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C#N)c(C#N)cc2N)C1 ZINC001180763198 843295289 /nfs/dbraw/zinc/29/52/89/843295289.db2.gz XYPUPRNZTNMVLS-CYBMUJFWSA-N 1 2 285.307 0.281 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(C#N)c(C#N)cc2N)C1 ZINC001180763198 843295294 /nfs/dbraw/zinc/29/52/94/843295294.db2.gz XYPUPRNZTNMVLS-CYBMUJFWSA-N 1 2 285.307 0.281 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1 ZINC001180764412 843296121 /nfs/dbraw/zinc/29/61/21/843296121.db2.gz WZDIXPFQECJIGD-TYWZFMJISA-N 1 2 266.219 0.078 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1 ZINC001180764412 843296130 /nfs/dbraw/zinc/29/61/30/843296130.db2.gz WZDIXPFQECJIGD-TYWZFMJISA-N 1 2 266.219 0.078 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001181511554 843505039 /nfs/dbraw/zinc/50/50/39/843505039.db2.gz QMAZVADRFHDJSR-LLVKDONJSA-N 1 2 293.371 0.792 20 30 CCEDLO N#Cc1cccc(CCC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001182341498 843774589 /nfs/dbraw/zinc/77/45/89/843774589.db2.gz OZGLYQOHPSEVME-OAHLLOKOSA-N 1 2 298.346 0.934 20 30 CCEDLO N#Cc1cccc(CCC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001182341498 843774596 /nfs/dbraw/zinc/77/45/96/843774596.db2.gz OZGLYQOHPSEVME-OAHLLOKOSA-N 1 2 298.346 0.934 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182504395 843846965 /nfs/dbraw/zinc/84/69/65/843846965.db2.gz BETSMEZUEQTXNI-WDEREUQCSA-N 1 2 294.380 0.267 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182505511 843847293 /nfs/dbraw/zinc/84/72/93/843847293.db2.gz ZYXIXFWFCSQXJR-ZYHUDNBSSA-N 1 2 292.339 0.107 20 30 CCEDLO COCC#CC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001187128295 844656516 /nfs/dbraw/zinc/65/65/16/844656516.db2.gz NBFFAXLMLOLXTF-UHFFFAOYSA-N 1 2 289.335 0.389 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001110394766 844735087 /nfs/dbraw/zinc/73/50/87/844735087.db2.gz LBLOSXSMOBVTOO-SQNXGDPESA-N 1 2 290.367 0.146 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001110394766 844735092 /nfs/dbraw/zinc/73/50/92/844735092.db2.gz LBLOSXSMOBVTOO-SQNXGDPESA-N 1 2 290.367 0.146 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190086072 845326540 /nfs/dbraw/zinc/32/65/40/845326540.db2.gz PZSJTILTHFIJKJ-LBPRGKRZSA-N 1 2 281.319 0.810 20 30 CCEDLO C#Cc1ccccc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001191117137 845584564 /nfs/dbraw/zinc/58/45/64/845584564.db2.gz WGEGPWFWZNCDBS-CYBMUJFWSA-N 1 2 269.304 0.724 20 30 CCEDLO C#Cc1ccccc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001191117137 845584571 /nfs/dbraw/zinc/58/45/71/845584571.db2.gz WGEGPWFWZNCDBS-CYBMUJFWSA-N 1 2 269.304 0.724 20 30 CCEDLO C#Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001191120786 845587335 /nfs/dbraw/zinc/58/73/35/845587335.db2.gz XBYJCRZOZDBMSM-CQSZACIVSA-N 1 2 286.331 0.597 20 30 CCEDLO C#Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001191120786 845587342 /nfs/dbraw/zinc/58/73/42/845587342.db2.gz XBYJCRZOZDBMSM-CQSZACIVSA-N 1 2 286.331 0.597 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001192320719 845821096 /nfs/dbraw/zinc/82/10/96/845821096.db2.gz JIMVVSYRAHCGQR-VXGBXAGGSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001192320719 845821100 /nfs/dbraw/zinc/82/11/00/845821100.db2.gz JIMVVSYRAHCGQR-VXGBXAGGSA-N 1 2 256.321 0.311 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121494 845986983 /nfs/dbraw/zinc/98/69/83/845986983.db2.gz BSGZSWWPSUNVNS-HLTSFMKQSA-N 1 2 284.253 0.624 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121494 845986986 /nfs/dbraw/zinc/98/69/86/845986986.db2.gz BSGZSWWPSUNVNS-HLTSFMKQSA-N 1 2 284.253 0.624 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)c2cncc(C#N)c2)[nH+]1 ZINC001194112035 846214953 /nfs/dbraw/zinc/21/49/53/846214953.db2.gz IJUZOACFMCZFHQ-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001194144319 846224857 /nfs/dbraw/zinc/22/48/57/846224857.db2.gz GXCFXAYKTCHQEP-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001194144319 846224867 /nfs/dbraw/zinc/22/48/67/846224867.db2.gz GXCFXAYKTCHQEP-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321142 846493528 /nfs/dbraw/zinc/49/35/28/846493528.db2.gz DRXCUTUXLJQJPM-CHWSQXEVSA-N 1 2 292.383 0.371 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195321142 846493532 /nfs/dbraw/zinc/49/35/32/846493532.db2.gz DRXCUTUXLJQJPM-CHWSQXEVSA-N 1 2 292.383 0.371 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195306829 846500390 /nfs/dbraw/zinc/50/03/90/846500390.db2.gz HXLLLWZJSRXXRQ-CHWSQXEVSA-N 1 2 280.368 0.010 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195306829 846500395 /nfs/dbraw/zinc/50/03/95/846500395.db2.gz HXLLLWZJSRXXRQ-CHWSQXEVSA-N 1 2 280.368 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001195492482 846552034 /nfs/dbraw/zinc/55/20/34/846552034.db2.gz WUEQAQAMPXSQHH-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001195492482 846552038 /nfs/dbraw/zinc/55/20/38/846552038.db2.gz WUEQAQAMPXSQHH-VXGBXAGGSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CCNC(=O)CC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195535583 846569389 /nfs/dbraw/zinc/56/93/89/846569389.db2.gz NHJGBPBPBKNUQI-UHFFFAOYSA-N 1 2 297.786 0.413 20 30 CCEDLO C#CCNC(=O)CC(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195535583 846569393 /nfs/dbraw/zinc/56/93/93/846569393.db2.gz NHJGBPBPBKNUQI-UHFFFAOYSA-N 1 2 297.786 0.413 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195532608 846569431 /nfs/dbraw/zinc/56/94/31/846569431.db2.gz QVWCDCFVMLDQOP-RRFJBIMHSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195532608 846569435 /nfs/dbraw/zinc/56/94/35/846569435.db2.gz QVWCDCFVMLDQOP-RRFJBIMHSA-N 1 2 294.395 0.400 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785761 846621967 /nfs/dbraw/zinc/62/19/67/846621967.db2.gz UGWVWUVSNJSJSA-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785761 846621971 /nfs/dbraw/zinc/62/19/71/846621971.db2.gz UGWVWUVSNJSJSA-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](F)C(C)C)CO2 ZINC001273713022 846681522 /nfs/dbraw/zinc/68/15/22/846681522.db2.gz MNCLYOZGFKJTQQ-QWHCGFSZSA-N 1 2 282.359 0.963 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001196474830 846752908 /nfs/dbraw/zinc/75/29/08/846752908.db2.gz MCWYLSJZHINXNA-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001196474830 846752914 /nfs/dbraw/zinc/75/29/14/846752914.db2.gz MCWYLSJZHINXNA-ZIAGYGMSSA-N 1 2 294.395 0.400 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001198233193 847071100 /nfs/dbraw/zinc/07/11/00/847071100.db2.gz FQWXYNKEJVUENP-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001198233193 847071108 /nfs/dbraw/zinc/07/11/08/847071108.db2.gz FQWXYNKEJVUENP-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(C)no1)CC2 ZINC001273816464 847569566 /nfs/dbraw/zinc/56/95/66/847569566.db2.gz SOVQUAWNDUWNFC-GFCCVEGCSA-N 1 2 288.351 0.730 20 30 CCEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nncn1C ZINC001273825276 847605246 /nfs/dbraw/zinc/60/52/46/847605246.db2.gz BBNULKMEVHTTSU-CHWSQXEVSA-N 1 2 289.383 0.957 20 30 CCEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nncn1C ZINC001273825276 847605252 /nfs/dbraw/zinc/60/52/52/847605252.db2.gz BBNULKMEVHTTSU-CHWSQXEVSA-N 1 2 289.383 0.957 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2CCS(=O)(=O)CC)C1=O ZINC001273832134 847615422 /nfs/dbraw/zinc/61/54/22/847615422.db2.gz QALSKCKFIWSJJG-CQSZACIVSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2CCS(=O)(=O)CC)C1=O ZINC001273832134 847615428 /nfs/dbraw/zinc/61/54/28/847615428.db2.gz QALSKCKFIWSJJG-CQSZACIVSA-N 1 2 298.408 0.121 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C\C[NH2+]Cc1nncs1 ZINC001274006144 848297012 /nfs/dbraw/zinc/29/70/12/848297012.db2.gz CPVBNJFTLGHTFO-ARJAWSKDSA-N 1 2 278.381 0.960 20 30 CCEDLO N#CCCCC[NH+]1CC2(C1)CN(CC(F)F)C(=O)CO2 ZINC001274043155 848316889 /nfs/dbraw/zinc/31/68/89/848316889.db2.gz MIXUXNOZYJNIKW-UHFFFAOYSA-N 1 2 287.310 0.859 20 30 CCEDLO CN1C(=O)COCC12C[NH+](Cc1ccccc1CC#N)C2 ZINC001274349782 848456021 /nfs/dbraw/zinc/45/60/21/848456021.db2.gz KRZODLPNTZHVFT-UHFFFAOYSA-N 1 2 285.347 0.796 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354636 848457212 /nfs/dbraw/zinc/45/72/12/848457212.db2.gz PTXHCRWOLUQYNO-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354636 848457219 /nfs/dbraw/zinc/45/72/19/848457219.db2.gz PTXHCRWOLUQYNO-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC2(CN(c3cccc[nH+]3)C2)OCC1=O ZINC001274740578 848556974 /nfs/dbraw/zinc/55/69/74/848556974.db2.gz XXFPTWIRJBQRJH-UHFFFAOYSA-N 1 2 259.309 0.685 20 30 CCEDLO COCC#CC[N@@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001274862496 848580209 /nfs/dbraw/zinc/58/02/09/848580209.db2.gz DOPCPJUGURFPCS-UHFFFAOYSA-N 1 2 280.368 0.350 20 30 CCEDLO COCC#CC[N@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001274862496 848580210 /nfs/dbraw/zinc/58/02/10/848580210.db2.gz DOPCPJUGURFPCS-UHFFFAOYSA-N 1 2 280.368 0.350 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cn[nH]n2)cc1C#N ZINC001275228889 848674144 /nfs/dbraw/zinc/67/41/44/848674144.db2.gz HWEKGAKONRUYJR-GASCZTMLSA-N 1 2 297.366 0.474 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cn[nH]n2)cc1C#N ZINC001275228889 848674151 /nfs/dbraw/zinc/67/41/51/848674151.db2.gz HWEKGAKONRUYJR-GASCZTMLSA-N 1 2 297.366 0.474 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c[nH]nn2)cc1C#N ZINC001275228889 848674153 /nfs/dbraw/zinc/67/41/53/848674153.db2.gz HWEKGAKONRUYJR-GASCZTMLSA-N 1 2 297.366 0.474 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c[nH]nn2)cc1C#N ZINC001275228889 848674159 /nfs/dbraw/zinc/67/41/59/848674159.db2.gz HWEKGAKONRUYJR-GASCZTMLSA-N 1 2 297.366 0.474 20 30 CCEDLO N#CCNC[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805595 848830218 /nfs/dbraw/zinc/83/02/18/848830218.db2.gz LCZYEAPAWYNXLO-NEPJUHHUSA-N 1 2 275.356 0.740 20 30 CCEDLO C=C(C)CCC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001276025071 848894418 /nfs/dbraw/zinc/89/44/18/848894418.db2.gz HSNBBOYSLUVINF-UHFFFAOYSA-N 1 2 280.376 0.505 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(C)cc1=O)C2 ZINC001095575802 848992443 /nfs/dbraw/zinc/99/24/43/848992443.db2.gz NKKGIIBELGEDKI-SNPRPXQTSA-N 1 2 299.374 0.662 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(C)cc1=O)C2 ZINC001095575802 848992449 /nfs/dbraw/zinc/99/24/49/848992449.db2.gz NKKGIIBELGEDKI-SNPRPXQTSA-N 1 2 299.374 0.662 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1CO ZINC000687594575 849123534 /nfs/dbraw/zinc/12/35/34/849123534.db2.gz MAFGNAPDOPIYDE-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1CO ZINC000687594575 849123539 /nfs/dbraw/zinc/12/35/39/849123539.db2.gz MAFGNAPDOPIYDE-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001114525455 849234678 /nfs/dbraw/zinc/23/46/78/849234678.db2.gz LYXBEAJQVUWWJX-JHEVNIALSA-N 1 2 285.351 0.743 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038318032 849848602 /nfs/dbraw/zinc/84/86/02/849848602.db2.gz IFKDCMWMBRZVDM-LLVKDONJSA-N 1 2 276.340 0.784 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038318032 849848609 /nfs/dbraw/zinc/84/86/09/849848609.db2.gz IFKDCMWMBRZVDM-LLVKDONJSA-N 1 2 276.340 0.784 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038318034 849849644 /nfs/dbraw/zinc/84/96/44/849849644.db2.gz IFKDCMWMBRZVDM-NSHDSACASA-N 1 2 276.340 0.784 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038318034 849849649 /nfs/dbraw/zinc/84/96/49/849849649.db2.gz IFKDCMWMBRZVDM-NSHDSACASA-N 1 2 276.340 0.784 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038417097 849885596 /nfs/dbraw/zinc/88/55/96/849885596.db2.gz KDXCGZPZTRKVMT-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038417097 849885602 /nfs/dbraw/zinc/88/56/02/849885602.db2.gz KDXCGZPZTRKVMT-KBPBESRZSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001038427105 849892088 /nfs/dbraw/zinc/89/20/88/849892088.db2.gz CUYKJXDGNNTMNX-NSHDSACASA-N 1 2 299.334 0.175 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001038427105 849892094 /nfs/dbraw/zinc/89/20/94/849892094.db2.gz CUYKJXDGNNTMNX-NSHDSACASA-N 1 2 299.334 0.175 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001038434712 849896858 /nfs/dbraw/zinc/89/68/58/849896858.db2.gz YXBAOQLCWVMVFD-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001038434712 849896866 /nfs/dbraw/zinc/89/68/66/849896866.db2.gz YXBAOQLCWVMVFD-CYBMUJFWSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038768255 850009030 /nfs/dbraw/zinc/00/90/30/850009030.db2.gz PERNYQRKCOKCBE-GFCCVEGCSA-N 1 2 270.336 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038768255 850009035 /nfs/dbraw/zinc/00/90/35/850009035.db2.gz PERNYQRKCOKCBE-GFCCVEGCSA-N 1 2 270.336 0.791 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(OC)n1 ZINC001038783884 850017505 /nfs/dbraw/zinc/01/75/05/850017505.db2.gz VRCDSXYPYKOABA-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(OC)n1 ZINC001038783884 850017513 /nfs/dbraw/zinc/01/75/13/850017513.db2.gz VRCDSXYPYKOABA-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038809921 850023072 /nfs/dbraw/zinc/02/30/72/850023072.db2.gz ZNNKMIQUDNTGRJ-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038809921 850023078 /nfs/dbraw/zinc/02/30/78/850023078.db2.gz ZNNKMIQUDNTGRJ-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038846149 850044528 /nfs/dbraw/zinc/04/45/28/850044528.db2.gz PBYYJVRJAKDTKK-SNVBAGLBSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038846149 850044537 /nfs/dbraw/zinc/04/45/37/850044537.db2.gz PBYYJVRJAKDTKK-SNVBAGLBSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2ccccn2c1F ZINC001038880524 850062305 /nfs/dbraw/zinc/06/23/05/850062305.db2.gz GNLPUZZUNAEZAT-LLVKDONJSA-N 1 2 286.310 0.911 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ccccn2c1F ZINC001038880524 850062325 /nfs/dbraw/zinc/06/23/25/850062325.db2.gz GNLPUZZUNAEZAT-LLVKDONJSA-N 1 2 286.310 0.911 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039007826 850115723 /nfs/dbraw/zinc/11/57/23/850115723.db2.gz WYGPMYLMAYWSRP-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039007826 850115729 /nfs/dbraw/zinc/11/57/29/850115729.db2.gz WYGPMYLMAYWSRP-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCN(C(C)=O)CC1 ZINC001039000743 850117351 /nfs/dbraw/zinc/11/73/51/850117351.db2.gz RBHODNHHJTYNMP-AWEZNQCLSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCN(C(C)=O)CC1 ZINC001039000743 850117357 /nfs/dbraw/zinc/11/73/57/850117357.db2.gz RBHODNHHJTYNMP-AWEZNQCLSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039029961 850128937 /nfs/dbraw/zinc/12/89/37/850128937.db2.gz WZTZTKGWJBMNND-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039029961 850128945 /nfs/dbraw/zinc/12/89/45/850128945.db2.gz WZTZTKGWJBMNND-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039079018 850148131 /nfs/dbraw/zinc/14/81/31/850148131.db2.gz WKALVDIHVTWTDN-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039079018 850148135 /nfs/dbraw/zinc/14/81/35/850148135.db2.gz WKALVDIHVTWTDN-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001042837000 850766633 /nfs/dbraw/zinc/76/66/33/850766633.db2.gz HESKYEFMQMKION-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001042897646 850777342 /nfs/dbraw/zinc/77/73/42/850777342.db2.gz SNCRCTJTCFGPOV-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001042964111 850787681 /nfs/dbraw/zinc/78/76/81/850787681.db2.gz BBFMNRCQSWMDRB-AAEUAGOBSA-N 1 2 268.357 0.509 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n2CCOC3)C1 ZINC001042982603 850793232 /nfs/dbraw/zinc/79/32/32/850793232.db2.gz JDOOQCZZXZDBNI-UHFFFAOYSA-N 1 2 290.367 0.746 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001043139396 850820940 /nfs/dbraw/zinc/82/09/40/850820940.db2.gz HJSGFHQQCQJSAJ-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC001043186215 850828160 /nfs/dbraw/zinc/82/81/60/850828160.db2.gz HAMCNGYCFJXLSR-MNOVXSKESA-N 1 2 265.357 0.230 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001043397794 850868164 /nfs/dbraw/zinc/86/81/64/850868164.db2.gz AUQVXXWUVNRTGL-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCO[C@@H]2C)C1 ZINC001043457041 850876431 /nfs/dbraw/zinc/87/64/31/850876431.db2.gz TUISEOYQTDUVBE-DOMZBBRYSA-N 1 2 264.369 0.967 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001043616090 850909186 /nfs/dbraw/zinc/90/91/86/850909186.db2.gz NDSCUGBHGCJURN-GFCCVEGCSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001043833546 850946088 /nfs/dbraw/zinc/94/60/88/850946088.db2.gz FFNXYBPEFYPRFV-UHFFFAOYSA-N 1 2 285.351 0.911 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001044021809 850987258 /nfs/dbraw/zinc/98/72/58/850987258.db2.gz ZQFZGKJSDSDEPY-LLVKDONJSA-N 1 2 293.371 0.255 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001044042117 850991292 /nfs/dbraw/zinc/99/12/92/850991292.db2.gz RLYXVNHBYFXVGU-NSHDSACASA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C)nc2C)C1 ZINC001044061975 850995700 /nfs/dbraw/zinc/99/57/00/850995700.db2.gz RTELHMNDAQEOFL-UHFFFAOYSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC)c2C)C1 ZINC001044083651 851005551 /nfs/dbraw/zinc/00/55/51/851005551.db2.gz SBUKVRQPKZFARW-UHFFFAOYSA-N 1 2 274.368 0.991 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001044144242 851022402 /nfs/dbraw/zinc/02/24/02/851022402.db2.gz CLUKFJRXKWAPSH-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)nc1 ZINC001044203366 851042692 /nfs/dbraw/zinc/04/26/92/851042692.db2.gz MLXCNUPZGDYDIU-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncnc2CC)C1 ZINC001044305511 851070358 /nfs/dbraw/zinc/07/03/58/851070358.db2.gz MHXRJIVLKOUSLQ-UHFFFAOYSA-N 1 2 272.352 0.819 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001044311501 851073088 /nfs/dbraw/zinc/07/30/88/851073088.db2.gz RXBTWJRDGTYVOV-AWEZNQCLSA-N 1 2 293.411 0.962 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044576299 851125614 /nfs/dbraw/zinc/12/56/14/851125614.db2.gz AICJEXZCROGWEF-NEPJUHHUSA-N 1 2 275.356 0.835 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)C#CC2CC2)o1 ZINC001045030863 851205629 /nfs/dbraw/zinc/20/56/29/851205629.db2.gz YUHREBRVJNSODK-ZDUSSCGKSA-N 1 2 288.351 0.872 20 30 CCEDLO CC(C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001045996778 851344129 /nfs/dbraw/zinc/34/41/29/851344129.db2.gz IJMWOTOIUUVHMR-AWEZNQCLSA-N 1 2 278.400 0.775 20 30 CCEDLO CC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046031614 851357813 /nfs/dbraw/zinc/35/78/13/851357813.db2.gz RUVPAUGOSNLZSM-ZDUSSCGKSA-N 1 2 276.384 0.529 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN(CC#N)C1 ZINC001046434699 851502203 /nfs/dbraw/zinc/50/22/03/851502203.db2.gz QJPZZOLGFLFZNC-SWLSCSKDSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047323942 851717822 /nfs/dbraw/zinc/71/78/22/851717822.db2.gz CBRRGDMFYMHAAI-IHRRRGAJSA-N 1 2 281.400 0.160 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047323942 851717829 /nfs/dbraw/zinc/71/78/29/851717829.db2.gz CBRRGDMFYMHAAI-IHRRRGAJSA-N 1 2 281.400 0.160 20 30 CCEDLO C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047323942 851717851 /nfs/dbraw/zinc/71/78/51/851717851.db2.gz CBRRGDMFYMHAAI-IHRRRGAJSA-N 1 2 281.400 0.160 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2C)C1 ZINC001047333510 851721082 /nfs/dbraw/zinc/72/10/82/851721082.db2.gz HQVFWPDWRJHOLU-STQMWFEESA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2C)C1 ZINC001047333510 851721087 /nfs/dbraw/zinc/72/10/87/851721087.db2.gz HQVFWPDWRJHOLU-STQMWFEESA-N 1 2 273.336 0.140 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(CC)n2)C1 ZINC001047358018 851735254 /nfs/dbraw/zinc/73/52/54/851735254.db2.gz PIWGOOVFDFIDNU-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(CC)n2)C1 ZINC001047358018 851735259 /nfs/dbraw/zinc/73/52/59/851735259.db2.gz PIWGOOVFDFIDNU-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001047402538 851751907 /nfs/dbraw/zinc/75/19/07/851751907.db2.gz QYWIBMKOZATOLA-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001047402538 851751913 /nfs/dbraw/zinc/75/19/13/851751913.db2.gz QYWIBMKOZATOLA-UWVGGRQHSA-N 1 2 267.354 0.446 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001047542903 851809374 /nfs/dbraw/zinc/80/93/74/851809374.db2.gz FPJOQYDMURTQGV-GJZGRUSLSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001047542903 851809379 /nfs/dbraw/zinc/80/93/79/851809379.db2.gz FPJOQYDMURTQGV-GJZGRUSLSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096440856 852104853 /nfs/dbraw/zinc/10/48/53/852104853.db2.gz ASIWAIYHKDKRJL-ZDUSSCGKSA-N 1 2 288.351 0.520 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446027 852278340 /nfs/dbraw/zinc/27/83/40/852278340.db2.gz GGMJRRYQQRDLKT-OLZOCXBDSA-N 1 2 287.367 0.931 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CCO[C@@H](C#N)C2)CC1 ZINC001254411450 852550369 /nfs/dbraw/zinc/55/03/69/852550369.db2.gz OSJYMOZVGKCZKF-ZDUSSCGKSA-N 1 2 281.356 0.238 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001097879208 852678145 /nfs/dbraw/zinc/67/81/45/852678145.db2.gz GHQSPUAULLNXLY-KSTCHIGDSA-N 1 2 299.378 0.769 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)n[nH]1)O2 ZINC001053577787 852763852 /nfs/dbraw/zinc/76/38/52/852763852.db2.gz RCFBUQDOZKPXGI-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccco1)CO2 ZINC001053723114 852789635 /nfs/dbraw/zinc/78/96/35/852789635.db2.gz DUCAFMMDRPCFOR-GFCCVEGCSA-N 1 2 274.320 0.876 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnccn1)CO2 ZINC001053726712 852791292 /nfs/dbraw/zinc/79/12/92/852791292.db2.gz LKWLBDXITABRNA-LBPRGKRZSA-N 1 2 286.335 0.073 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cscn1)CO2 ZINC001053754070 852804133 /nfs/dbraw/zinc/80/41/33/852804133.db2.gz GWDQMJSKFXHPDM-NSHDSACASA-N 1 2 291.376 0.740 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncccc1C)CO2 ZINC001053770292 852814848 /nfs/dbraw/zinc/81/48/48/852814848.db2.gz OBCHAAJEUPCRLN-AWEZNQCLSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncnc1)CO2 ZINC001053785604 852819706 /nfs/dbraw/zinc/81/97/06/852819706.db2.gz NMRJZVWVDYLYCB-CYBMUJFWSA-N 1 2 288.351 0.626 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)CO2 ZINC001053928775 852849132 /nfs/dbraw/zinc/84/91/32/852849132.db2.gz KMEINRRCYHGSFY-MCIONIFRSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1[nH]cnc1C)CO2 ZINC001054026103 852872328 /nfs/dbraw/zinc/87/23/28/852872328.db2.gz QHLGALRNMODNMD-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO COCC#CCN1CC[N@H+](CC#CCOC)[C@@H](C)C1 ZINC000677480496 852907899 /nfs/dbraw/zinc/90/78/99/852907899.db2.gz YFHMXVKDXXMPRF-HNNXBMFYSA-N 1 2 264.369 0.292 20 30 CCEDLO COCC#CCN1CC[N@@H+](CC#CCOC)[C@@H](C)C1 ZINC000677480496 852907905 /nfs/dbraw/zinc/90/79/05/852907905.db2.gz YFHMXVKDXXMPRF-HNNXBMFYSA-N 1 2 264.369 0.292 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1nccnc1C#N ZINC001097975170 853060381 /nfs/dbraw/zinc/06/03/81/853060381.db2.gz LCZXDJSRAFMTRF-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001098006623 853122314 /nfs/dbraw/zinc/12/23/14/853122314.db2.gz JXKATXDMXULADT-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCC1 ZINC001263804696 853143859 /nfs/dbraw/zinc/14/38/59/853143859.db2.gz FUXVXDUIYSZNKS-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCC1 ZINC001263804696 853143867 /nfs/dbraw/zinc/14/38/67/853143867.db2.gz FUXVXDUIYSZNKS-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO Cc1nc(N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001056586378 853175354 /nfs/dbraw/zinc/17/53/54/853175354.db2.gz YUMWKBGJSZMCNM-MWLCHTKSSA-N 1 2 259.313 0.958 20 30 CCEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001056790739 853214932 /nfs/dbraw/zinc/21/49/32/853214932.db2.gz VELJGCLLKSGROI-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001050000580 853288838 /nfs/dbraw/zinc/28/88/38/853288838.db2.gz ZHWUGJYCMSAMLL-NTZNESFSSA-N 1 2 289.339 0.652 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001050000580 853288846 /nfs/dbraw/zinc/28/88/46/853288846.db2.gz ZHWUGJYCMSAMLL-NTZNESFSSA-N 1 2 289.339 0.652 20 30 CCEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981512 853670156 /nfs/dbraw/zinc/67/01/56/853670156.db2.gz RFDSQHVZOWTPEY-HNNXBMFYSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981512 853670161 /nfs/dbraw/zinc/67/01/61/853670161.db2.gz RFDSQHVZOWTPEY-HNNXBMFYSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001051995347 853672250 /nfs/dbraw/zinc/67/22/50/853672250.db2.gz BVQOXZXRAKIFBU-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052027012 853677773 /nfs/dbraw/zinc/67/77/73/853677773.db2.gz VZHAKFHWLAVMHX-MRXNPFEDSA-N 1 2 287.407 0.804 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856892 853985020 /nfs/dbraw/zinc/98/50/20/853985020.db2.gz PSIMHQIELOUQLL-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856892 853985021 /nfs/dbraw/zinc/98/50/21/853985021.db2.gz PSIMHQIELOUQLL-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](n2ccnn2)C1 ZINC001069904838 853995994 /nfs/dbraw/zinc/99/59/94/853995994.db2.gz RLNOTYQSFWEBEL-KGLIPLIRSA-N 1 2 285.351 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@@H](n2ccnn2)C1 ZINC001069904838 853996002 /nfs/dbraw/zinc/99/60/02/853996002.db2.gz RLNOTYQSFWEBEL-KGLIPLIRSA-N 1 2 285.351 0.219 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCC3)[C@@H](n2ccnn2)C1 ZINC001070041023 854019596 /nfs/dbraw/zinc/01/95/96/854019596.db2.gz RKAKTRXQCHSNLX-MJBXVCDLSA-N 1 2 299.378 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCC3)[C@@H](n2ccnn2)C1 ZINC001070041023 854019602 /nfs/dbraw/zinc/01/96/02/854019602.db2.gz RKAKTRXQCHSNLX-MJBXVCDLSA-N 1 2 299.378 0.443 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070934222 854104969 /nfs/dbraw/zinc/10/49/69/854104969.db2.gz WNQAXLYKSCHMNP-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(CF)CC2)CC1 ZINC001070998847 854113512 /nfs/dbraw/zinc/11/35/12/854113512.db2.gz WSFOTLAVKAXWCA-UHFFFAOYSA-N 1 2 297.374 0.573 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(CF)CC2)CC1 ZINC001070998847 854113518 /nfs/dbraw/zinc/11/35/18/854113518.db2.gz WSFOTLAVKAXWCA-UHFFFAOYSA-N 1 2 297.374 0.573 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128105 854677100 /nfs/dbraw/zinc/67/71/00/854677100.db2.gz MNVHECVDHFJISH-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128105 854677107 /nfs/dbraw/zinc/67/71/07/854677107.db2.gz MNVHECVDHFJISH-KBPBESRZSA-N 1 2 262.353 0.721 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)c1 ZINC001074335600 854713451 /nfs/dbraw/zinc/71/34/51/854713451.db2.gz BEIMYPKGIVUNIP-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)c1 ZINC001074335600 854713453 /nfs/dbraw/zinc/71/34/53/854713453.db2.gz BEIMYPKGIVUNIP-JKSUJKDBSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@H](NCC#N)[C@@H]1C)n1cc[nH+]c1 ZINC001074927511 854798794 /nfs/dbraw/zinc/79/87/94/854798794.db2.gz IRKPSFHFHSSWNP-AGIUHOORSA-N 1 2 275.356 0.937 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001098306787 854856536 /nfs/dbraw/zinc/85/65/36/854856536.db2.gz NIOUJEQLABMYNI-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C=CCCC(=O)NCCN(C)c1[nH+]cnc2c1cnn2C ZINC001099958312 855050357 /nfs/dbraw/zinc/05/03/57/855050357.db2.gz MTYSEUIDOWAPRV-UHFFFAOYSA-N 1 2 288.355 0.882 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nn1 ZINC001100734622 855215637 /nfs/dbraw/zinc/21/56/37/855215637.db2.gz MFFXNMYZMUPMPF-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)COCC)c1nccn12 ZINC001101603923 855324292 /nfs/dbraw/zinc/32/42/92/855324292.db2.gz ISIKGLXXBKYQRY-LBPRGKRZSA-N 1 2 290.367 0.678 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]cn1C ZINC001101694752 855346210 /nfs/dbraw/zinc/34/62/10/855346210.db2.gz DVWBVJITRGCKAH-UHFFFAOYSA-N 1 2 299.338 0.195 20 30 CCEDLO C[C@@H](C(=O)N1CCSC[C@@H]1C#N)n1cc[nH+]c1 ZINC001116484592 855774023 /nfs/dbraw/zinc/77/40/23/855774023.db2.gz ZPMHROSQXCFYGL-UWVGGRQHSA-N 1 2 250.327 0.912 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)o1 ZINC001116558772 855787841 /nfs/dbraw/zinc/78/78/41/855787841.db2.gz DUVKLAGHZIZABS-VIFPVBQESA-N 1 2 265.317 0.791 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC001116918181 855866861 /nfs/dbraw/zinc/86/68/61/855866861.db2.gz VOJINLCPPRBXHV-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC001116918181 855866866 /nfs/dbraw/zinc/86/68/66/855866866.db2.gz VOJINLCPPRBXHV-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO COCC#CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001119048744 856542697 /nfs/dbraw/zinc/54/26/97/856542697.db2.gz MVTAURHODKCHPN-UHFFFAOYSA-N 1 2 287.363 0.418 20 30 CCEDLO CC#CCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001119273887 856607092 /nfs/dbraw/zinc/60/70/92/856607092.db2.gz BSYXTNFAPPKMNT-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO CC#CCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001119273887 856607095 /nfs/dbraw/zinc/60/70/95/856607095.db2.gz BSYXTNFAPPKMNT-HNNXBMFYSA-N 1 2 299.374 0.819 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccn(CCF)n1 ZINC001119356945 856650340 /nfs/dbraw/zinc/65/03/40/856650340.db2.gz OBLLPUQKEYEIJG-VIFPVBQESA-N 1 2 284.291 0.238 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2COCCO2)n1 ZINC001119774255 856873697 /nfs/dbraw/zinc/87/36/97/856873697.db2.gz LZANIEJXKZYWSN-OAHLLOKOSA-N 1 2 293.367 0.380 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2COCCO2)n1 ZINC001119774255 856873703 /nfs/dbraw/zinc/87/37/03/856873703.db2.gz LZANIEJXKZYWSN-OAHLLOKOSA-N 1 2 293.367 0.380 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001119942461 856929409 /nfs/dbraw/zinc/92/94/09/856929409.db2.gz CEIGLURUVWMYNB-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001119942461 856929413 /nfs/dbraw/zinc/92/94/13/856929413.db2.gz CEIGLURUVWMYNB-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323354875 912289105 /nfs/dbraw/zinc/28/91/05/912289105.db2.gz CKOVUQGKHFWHFR-LBPRGKRZSA-N 1 2 294.786 0.977 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323354875 912289116 /nfs/dbraw/zinc/28/91/16/912289116.db2.gz CKOVUQGKHFWHFR-LBPRGKRZSA-N 1 2 294.786 0.977 20 30 CCEDLO C=CCCC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001323406496 912329261 /nfs/dbraw/zinc/32/92/61/912329261.db2.gz PUZLPDDDYOFDNT-UHFFFAOYSA-N 1 2 263.345 0.818 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001323444036 912347356 /nfs/dbraw/zinc/34/73/56/912347356.db2.gz UNWGCVDOQORNJV-GFCCVEGCSA-N 1 2 291.351 0.760 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001393106986 912400690 /nfs/dbraw/zinc/40/06/90/912400690.db2.gz RGTZNLXGXFLBEW-XHDPSFHLSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001393106986 912400699 /nfs/dbraw/zinc/40/06/99/912400699.db2.gz RGTZNLXGXFLBEW-XHDPSFHLSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001323887430 912564823 /nfs/dbraw/zinc/56/48/23/912564823.db2.gz HWUNOIKVPVNWAP-UHFFFAOYSA-N 1 2 251.355 0.409 20 30 CCEDLO C[C@]1(NC(=O)C2=CCCC2)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324602037 912931078 /nfs/dbraw/zinc/93/10/78/912931078.db2.gz PJQKRFAGNGFHDK-HNNXBMFYSA-N 1 2 290.367 0.317 20 30 CCEDLO C[C@]1(NC(=O)C2=CCCC2)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324602037 912931094 /nfs/dbraw/zinc/93/10/94/912931094.db2.gz PJQKRFAGNGFHDK-HNNXBMFYSA-N 1 2 290.367 0.317 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001394134811 913029254 /nfs/dbraw/zinc/02/92/54/913029254.db2.gz ITKLUDRMYKNNDJ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001394134811 913029271 /nfs/dbraw/zinc/02/92/71/913029271.db2.gz ITKLUDRMYKNNDJ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO N#Cc1ccc(C(=O)NC2(CCO)C[NH+](CCCF)C2)[nH]1 ZINC001394154105 913054357 /nfs/dbraw/zinc/05/43/57/913054357.db2.gz QBXOCVRLIKOFNS-UHFFFAOYSA-N 1 2 294.330 0.413 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC001325229379 913290981 /nfs/dbraw/zinc/29/09/81/913290981.db2.gz ZDGDEBGIUXXMTN-SECBINFHSA-N 1 2 266.263 0.942 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC001325229379 913290997 /nfs/dbraw/zinc/29/09/97/913290997.db2.gz ZDGDEBGIUXXMTN-SECBINFHSA-N 1 2 266.263 0.942 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001325225412 913291568 /nfs/dbraw/zinc/29/15/68/913291568.db2.gz YNXCJPMPDGVUFL-UHFFFAOYSA-N 1 2 294.301 0.765 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001325263662 913308220 /nfs/dbraw/zinc/30/82/20/913308220.db2.gz IGOSWLYVZOFHQY-CYBMUJFWSA-N 1 2 284.400 0.931 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001325264025 913309234 /nfs/dbraw/zinc/30/92/34/913309234.db2.gz KXCQAUQZDJLDJM-STQMWFEESA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(CCOC)CCC2)C1 ZINC001325311437 913336044 /nfs/dbraw/zinc/33/60/44/913336044.db2.gz GNHFVAPRXNCNCZ-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)C(N)=O ZINC001480980617 892011641 /nfs/dbraw/zinc/01/16/41/892011641.db2.gz RDVCHNSUXOHUCO-UHFFFAOYSA-N 1 2 275.780 0.689 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)C(N)=O ZINC001480980617 892011624 /nfs/dbraw/zinc/01/16/24/892011624.db2.gz RDVCHNSUXOHUCO-UHFFFAOYSA-N 1 2 275.780 0.689 20 30 CCEDLO CCN(CC#N)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001480989302 892019287 /nfs/dbraw/zinc/01/92/87/892019287.db2.gz XFASFGSDTQETDQ-UHFFFAOYSA-N 1 2 271.324 0.910 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001481058849 892120909 /nfs/dbraw/zinc/12/09/09/892120909.db2.gz IPCMCOAQIDDTJQ-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001481058849 892120918 /nfs/dbraw/zinc/12/09/18/892120918.db2.gz IPCMCOAQIDDTJQ-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001481126038 892197949 /nfs/dbraw/zinc/19/79/49/892197949.db2.gz LYIHLJSPMJAGBV-ZDUSSCGKSA-N 1 2 275.356 0.625 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001481225486 892396337 /nfs/dbraw/zinc/39/63/37/892396337.db2.gz KOXHGMNOACCJRY-ZWNOBZJWSA-N 1 2 298.412 0.974 20 30 CCEDLO N#CCN[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001481374458 892601803 /nfs/dbraw/zinc/60/18/03/892601803.db2.gz PNOMGEVYSSJCHB-CQSZACIVSA-N 1 2 283.335 0.854 20 30 CCEDLO CCCN(C(=O)C1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481388154 892608700 /nfs/dbraw/zinc/60/87/00/892608700.db2.gz JULAHXQQSHUWIL-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CCCN(C(=O)C1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481388154 892608704 /nfs/dbraw/zinc/60/87/04/892608704.db2.gz JULAHXQQSHUWIL-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049597 892661312 /nfs/dbraw/zinc/66/13/12/892661312.db2.gz SXTXBYIPBLEIRH-NWDGAFQWSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC001342049597 892661323 /nfs/dbraw/zinc/66/13/23/892661323.db2.gz SXTXBYIPBLEIRH-NWDGAFQWSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC001342049597 892661329 /nfs/dbraw/zinc/66/13/29/892661329.db2.gz SXTXBYIPBLEIRH-NWDGAFQWSA-N 1 2 263.341 0.847 20 30 CCEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC001342049597 892661336 /nfs/dbraw/zinc/66/13/36/892661336.db2.gz SXTXBYIPBLEIRH-NWDGAFQWSA-N 1 2 263.341 0.847 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481525489 892774775 /nfs/dbraw/zinc/77/47/75/892774775.db2.gz IPSSLGSTCNFQAJ-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481525489 892774783 /nfs/dbraw/zinc/77/47/83/892774783.db2.gz IPSSLGSTCNFQAJ-NWDGAFQWSA-N 1 2 279.384 0.490 20 30 CCEDLO C=CCOCC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001481550924 892813995 /nfs/dbraw/zinc/81/39/95/892813995.db2.gz RYXJZTNCSKITON-UHFFFAOYSA-N 1 2 256.346 0.414 20 30 CCEDLO Cc1ncsc1CC[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001481550352 892814314 /nfs/dbraw/zinc/81/43/14/892814314.db2.gz ODRMFKDSARSZFO-VIFPVBQESA-N 1 2 278.381 0.954 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2cnn(C)c2C)C1 ZINC001481562124 892832731 /nfs/dbraw/zinc/83/27/31/892832731.db2.gz AVXSQAZZKDZUTL-UHFFFAOYSA-N 1 2 292.383 0.274 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC1C[NH+](CCCO)C1)OCC ZINC001481562383 892833119 /nfs/dbraw/zinc/83/31/19/892833119.db2.gz DGAMNTCDYMOCCX-CYBMUJFWSA-N 1 2 270.373 0.541 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001481624012 892924749 /nfs/dbraw/zinc/92/47/49/892924749.db2.gz JMBYKFBLISJHBP-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001481668455 892984080 /nfs/dbraw/zinc/98/40/80/892984080.db2.gz JLKDHRUSDFHNNQ-KKJDTDOJSA-N 1 2 291.395 0.928 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001481668455 892984086 /nfs/dbraw/zinc/98/40/86/892984086.db2.gz JLKDHRUSDFHNNQ-KKJDTDOJSA-N 1 2 291.395 0.928 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001481668123 892984312 /nfs/dbraw/zinc/98/43/12/892984312.db2.gz PXJJPYZYFWBSIH-SRVKXCTJSA-N 1 2 291.351 0.043 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001481668123 892984315 /nfs/dbraw/zinc/98/43/15/892984315.db2.gz PXJJPYZYFWBSIH-SRVKXCTJSA-N 1 2 291.351 0.043 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001481699527 893034466 /nfs/dbraw/zinc/03/44/66/893034466.db2.gz FVFICZVRESQLRG-WDEREUQCSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001481699527 893034480 /nfs/dbraw/zinc/03/44/80/893034480.db2.gz FVFICZVRESQLRG-WDEREUQCSA-N 1 2 261.329 0.270 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001496679326 893465140 /nfs/dbraw/zinc/46/51/40/893465140.db2.gz JNXGUWNSFLAYRA-LBPRGKRZSA-N 1 2 289.383 0.879 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001496679326 893465145 /nfs/dbraw/zinc/46/51/45/893465145.db2.gz JNXGUWNSFLAYRA-LBPRGKRZSA-N 1 2 289.383 0.879 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001482479508 894100681 /nfs/dbraw/zinc/10/06/81/894100681.db2.gz KIDLUJIFWNJTLX-NWDGAFQWSA-N 1 2 275.356 0.692 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1nocc1C ZINC001483008144 894798998 /nfs/dbraw/zinc/79/89/98/894798998.db2.gz SWQYASSEEXWZJG-CFHLNLSMSA-N 1 2 291.351 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001409606515 895276576 /nfs/dbraw/zinc/27/65/76/895276576.db2.gz YVTSKALBSJQZCP-PSASIEDQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001409606515 895276588 /nfs/dbraw/zinc/27/65/88/895276588.db2.gz YVTSKALBSJQZCP-PSASIEDQSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)CN1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001409741323 895357903 /nfs/dbraw/zinc/35/79/03/895357903.db2.gz QEMTYNCVROHAHV-UHFFFAOYSA-N 1 2 298.774 0.258 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001483321360 895453385 /nfs/dbraw/zinc/45/33/85/895453385.db2.gz CBTGXWKCLSLFAY-SECBINFHSA-N 1 2 283.763 0.861 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001483321360 895453395 /nfs/dbraw/zinc/45/33/95/895453395.db2.gz CBTGXWKCLSLFAY-SECBINFHSA-N 1 2 283.763 0.861 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483333064 895468817 /nfs/dbraw/zinc/46/88/17/895468817.db2.gz JJZKVZNLNNKIEH-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483333064 895468822 /nfs/dbraw/zinc/46/88/22/895468822.db2.gz JJZKVZNLNNKIEH-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C ZINC001507180263 895474742 /nfs/dbraw/zinc/47/47/42/895474742.db2.gz TZBGYDDKIWQKNM-NSHDSACASA-N 1 2 267.329 0.516 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1nnn(C)n1)C1CC1 ZINC001483578696 895659876 /nfs/dbraw/zinc/65/98/76/895659876.db2.gz AZTDVGUQTLKCGY-NSHDSACASA-N 1 2 292.387 0.407 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001483673674 895830684 /nfs/dbraw/zinc/83/06/84/895830684.db2.gz SDMWWLLCRYOWRM-OLZOCXBDSA-N 1 2 270.348 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001483673674 895830699 /nfs/dbraw/zinc/83/06/99/895830699.db2.gz SDMWWLLCRYOWRM-OLZOCXBDSA-N 1 2 270.348 0.821 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001484270542 896307120 /nfs/dbraw/zinc/30/71/20/896307120.db2.gz QBHSTXKVHWDIJK-ZDUSSCGKSA-N 1 2 268.357 0.053 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001484298094 896322141 /nfs/dbraw/zinc/32/21/41/896322141.db2.gz VVSLUTNUEOWTDX-LBPRGKRZSA-N 1 2 264.369 0.916 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC1(COC)CC1 ZINC001484591089 896485594 /nfs/dbraw/zinc/48/55/94/896485594.db2.gz FPVHRNVSZZHOBN-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(COC)CC1 ZINC001484591089 896485603 /nfs/dbraw/zinc/48/56/03/896485603.db2.gz FPVHRNVSZZHOBN-AWEZNQCLSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](CC)OC)O2 ZINC001484783906 896600719 /nfs/dbraw/zinc/60/07/19/896600719.db2.gz XGLWSCXTAPUZBH-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001485076607 896756638 /nfs/dbraw/zinc/75/66/38/896756638.db2.gz JUESVTHETGDFQB-LBPRGKRZSA-N 1 2 275.356 0.409 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001485567818 897120571 /nfs/dbraw/zinc/12/05/71/897120571.db2.gz PILMORLKMCFVAL-ZDUSSCGKSA-N 1 2 291.395 0.363 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001485567818 897120574 /nfs/dbraw/zinc/12/05/74/897120574.db2.gz PILMORLKMCFVAL-ZDUSSCGKSA-N 1 2 291.395 0.363 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001107881912 897421961 /nfs/dbraw/zinc/42/19/61/897421961.db2.gz NLQBTJBUKQNZIV-JSGCOSHPSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001107881912 897421979 /nfs/dbraw/zinc/42/19/79/897421979.db2.gz NLQBTJBUKQNZIV-JSGCOSHPSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC(=O)NC)C1 ZINC001107885239 897435857 /nfs/dbraw/zinc/43/58/57/897435857.db2.gz UAUUOQIKPHYOIF-OAHLLOKOSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC(=O)NC)C1 ZINC001107885239 897435867 /nfs/dbraw/zinc/43/58/67/897435867.db2.gz UAUUOQIKPHYOIF-OAHLLOKOSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107889010 897439339 /nfs/dbraw/zinc/43/93/39/897439339.db2.gz YBMXAKWUQXERPG-CQSZACIVSA-N 1 2 293.371 0.009 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107889010 897439345 /nfs/dbraw/zinc/43/93/45/897439345.db2.gz YBMXAKWUQXERPG-CQSZACIVSA-N 1 2 293.371 0.009 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107903621 897473912 /nfs/dbraw/zinc/47/39/12/897473912.db2.gz WOLOBDYIGRZRRR-CVEARBPZSA-N 1 2 294.395 0.544 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107903621 897473923 /nfs/dbraw/zinc/47/39/23/897473923.db2.gz WOLOBDYIGRZRRR-CVEARBPZSA-N 1 2 294.395 0.544 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001077791050 897504340 /nfs/dbraw/zinc/50/43/40/897504340.db2.gz QPQDQUVBHCWEGN-DGCLKSJQSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001077791050 897504349 /nfs/dbraw/zinc/50/43/49/897504349.db2.gz QPQDQUVBHCWEGN-DGCLKSJQSA-N 1 2 289.335 0.350 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940364 897533099 /nfs/dbraw/zinc/53/30/99/897533099.db2.gz RRNXYWFKBJCNMD-GDBMZVCRSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940364 897533114 /nfs/dbraw/zinc/53/31/14/897533114.db2.gz RRNXYWFKBJCNMD-GDBMZVCRSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCC ZINC001032426055 897547992 /nfs/dbraw/zinc/54/79/92/897547992.db2.gz UYRVWZGRYVAHAE-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCC ZINC001032426055 897548000 /nfs/dbraw/zinc/54/80/00/897548000.db2.gz UYRVWZGRYVAHAE-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)cn1 ZINC001032436584 897564182 /nfs/dbraw/zinc/56/41/82/897564182.db2.gz MXOGIOUWLRFBAX-KBPBESRZSA-N 1 2 298.346 0.572 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)cn1 ZINC001032436584 897564198 /nfs/dbraw/zinc/56/41/98/897564198.db2.gz MXOGIOUWLRFBAX-KBPBESRZSA-N 1 2 298.346 0.572 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]cc2c1 ZINC001032467536 897609816 /nfs/dbraw/zinc/60/98/16/897609816.db2.gz OGDGLAXQNSHYLR-STQMWFEESA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]cc2c1 ZINC001032467536 897609820 /nfs/dbraw/zinc/60/98/20/897609820.db2.gz OGDGLAXQNSHYLR-STQMWFEESA-N 1 2 281.319 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1CC ZINC001032488354 897644045 /nfs/dbraw/zinc/64/40/45/897644045.db2.gz ZWGBFIRXLAZBOB-SOUVJXGZSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1CC ZINC001032488354 897644048 /nfs/dbraw/zinc/64/40/48/897644048.db2.gz ZWGBFIRXLAZBOB-SOUVJXGZSA-N 1 2 291.395 0.016 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)cc1C ZINC001032508664 897669930 /nfs/dbraw/zinc/66/99/30/897669930.db2.gz GWKQERBBHDGWOR-GJZGRUSLSA-N 1 2 286.379 0.808 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)cc1C ZINC001032508664 897669937 /nfs/dbraw/zinc/66/99/37/897669937.db2.gz GWKQERBBHDGWOR-GJZGRUSLSA-N 1 2 286.379 0.808 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032533888 897713141 /nfs/dbraw/zinc/71/31/41/897713141.db2.gz MHFFEUVVZQHKRI-RYUDHWBXSA-N 1 2 273.340 0.161 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001032549523 897732428 /nfs/dbraw/zinc/73/24/28/897732428.db2.gz HOKHYSBRHXZYQP-KBPBESRZSA-N 1 2 286.379 0.959 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001032549523 897732445 /nfs/dbraw/zinc/73/24/45/897732445.db2.gz HOKHYSBRHXZYQP-KBPBESRZSA-N 1 2 286.379 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(C)nc1Cl ZINC001032625746 897846246 /nfs/dbraw/zinc/84/62/46/897846246.db2.gz GFGSDVYWZBSBNH-RYUDHWBXSA-N 1 2 292.770 0.534 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(C)nc1Cl ZINC001032625746 897846254 /nfs/dbraw/zinc/84/62/54/897846254.db2.gz GFGSDVYWZBSBNH-RYUDHWBXSA-N 1 2 292.770 0.534 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2ccnc12 ZINC001032632784 897853574 /nfs/dbraw/zinc/85/35/74/897853574.db2.gz IQVQJJPDQVUJFG-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn2ccnc12 ZINC001032632784 897853586 /nfs/dbraw/zinc/85/35/86/897853586.db2.gz IQVQJJPDQVUJFG-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)n1 ZINC001032635693 897862137 /nfs/dbraw/zinc/86/21/37/897862137.db2.gz YEQPBTCCRLLZKM-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C)n1 ZINC001032635693 897862149 /nfs/dbraw/zinc/86/21/49/897862149.db2.gz YEQPBTCCRLLZKM-KBPBESRZSA-N 1 2 272.352 0.500 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)nn1 ZINC001032669886 897915014 /nfs/dbraw/zinc/91/50/14/897915014.db2.gz FMWGPZURSPIHQA-STQMWFEESA-N 1 2 285.351 0.386 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)nn1 ZINC001032669886 897915025 /nfs/dbraw/zinc/91/50/25/897915025.db2.gz FMWGPZURSPIHQA-STQMWFEESA-N 1 2 285.351 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)nn1 ZINC001032705646 897941404 /nfs/dbraw/zinc/94/14/04/897941404.db2.gz DPFXZODXGFSUOP-STQMWFEESA-N 1 2 287.367 0.781 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)nn1 ZINC001032705646 897941418 /nfs/dbraw/zinc/94/14/18/897941418.db2.gz DPFXZODXGFSUOP-STQMWFEESA-N 1 2 287.367 0.781 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1CCCC ZINC001272859464 898083982 /nfs/dbraw/zinc/08/39/82/898083982.db2.gz RBPDWPWTHGNTQH-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CCCC ZINC001272859464 898083995 /nfs/dbraw/zinc/08/39/95/898083995.db2.gz RBPDWPWTHGNTQH-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001326845466 914224745 /nfs/dbraw/zinc/22/47/45/914224745.db2.gz IHXUFZXKDUZALW-ZDUSSCGKSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001078128225 898250786 /nfs/dbraw/zinc/25/07/86/898250786.db2.gz ZYFOPCJNDMSIGZ-VXGBXAGGSA-N 1 2 290.388 0.645 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001078128225 898250796 /nfs/dbraw/zinc/25/07/96/898250796.db2.gz ZYFOPCJNDMSIGZ-VXGBXAGGSA-N 1 2 290.388 0.645 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)NCC#N ZINC001485895793 898493734 /nfs/dbraw/zinc/49/37/34/898493734.db2.gz VQEIHBQMOXKABN-RYUDHWBXSA-N 1 2 275.356 0.406 20 30 CCEDLO CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)C#N)C2)no1 ZINC001486458256 898889490 /nfs/dbraw/zinc/88/94/90/898889490.db2.gz WMVRQESZMSWWGY-KPPDAEKUSA-N 1 2 291.355 0.871 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001433192845 899363336 /nfs/dbraw/zinc/36/33/36/899363336.db2.gz OQJOVTYUWUQEGW-JTQLQIEISA-N 1 2 277.328 0.029 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001410411148 899393553 /nfs/dbraw/zinc/39/35/53/899393553.db2.gz LBCVCUGPKYFENA-QWRGUYRKSA-N 1 2 299.334 0.728 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@H]2CCN(C(=O)CC)C2)CC1 ZINC001327082295 914365288 /nfs/dbraw/zinc/36/52/88/914365288.db2.gz LSFUOXSSUKBORA-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C[C@H](CC(=O)NC[C@@H](NCC#N)C1CC1)n1cc[nH+]c1 ZINC001490716443 900701081 /nfs/dbraw/zinc/70/10/81/900701081.db2.gz GQKXMGWXXCSOGX-DGCLKSJQSA-N 1 2 275.356 0.842 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001398177233 914556963 /nfs/dbraw/zinc/55/69/63/914556963.db2.gz VWGVDQQOWOEJRI-NWDGAFQWSA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001398177254 914559078 /nfs/dbraw/zinc/55/90/78/914559078.db2.gz VWGVDQQOWOEJRI-VXGBXAGGSA-N 1 2 289.339 0.150 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)OC)CO2 ZINC001327380920 902151773 /nfs/dbraw/zinc/15/17/73/902151773.db2.gz WWGQYPNAYWSHSN-CHWSQXEVSA-N 1 2 280.368 0.394 20 30 CCEDLO C=CCCCC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001491044743 903307990 /nfs/dbraw/zinc/30/79/90/903307990.db2.gz MHLIPVMJNRHOIQ-UHFFFAOYSA-N 1 2 290.367 0.979 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280944481 904180061 /nfs/dbraw/zinc/18/00/61/904180061.db2.gz KQOPQWVBQPKAGT-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)C#CC2CC2)C1 ZINC001282511336 904499163 /nfs/dbraw/zinc/49/91/63/904499163.db2.gz RTGNVLMZWXTTCB-UHFFFAOYSA-N 1 2 292.379 0.155 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C(C)C)C1 ZINC001282690283 904517662 /nfs/dbraw/zinc/51/76/62/904517662.db2.gz RGBYJRKLRMHZOY-LLVKDONJSA-N 1 2 267.373 0.381 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283204326 904755750 /nfs/dbraw/zinc/75/57/50/904755750.db2.gz SNODTFUCTFOUQT-OLZOCXBDSA-N 1 2 289.383 0.844 20 30 CCEDLO C=CCOCC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C[C@H]1C ZINC001283967656 905099466 /nfs/dbraw/zinc/09/94/66/905099466.db2.gz ZCUVSVYHXPIWBC-GHMZBOCLSA-N 1 2 296.396 0.820 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)[C@@H]1C ZINC001284121765 905153464 /nfs/dbraw/zinc/15/34/64/905153464.db2.gz LNLOOLXMQOUBQZ-VHSXEESVSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)[C@@H]1C ZINC001284121765 905153478 /nfs/dbraw/zinc/15/34/78/905153478.db2.gz LNLOOLXMQOUBQZ-VHSXEESVSA-N 1 2 273.764 0.583 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001377961588 905283849 /nfs/dbraw/zinc/28/38/49/905283849.db2.gz WYDOVTTUSWZLQU-QWRGUYRKSA-N 1 2 280.372 0.109 20 30 CCEDLO C=CCCCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001285771047 905760106 /nfs/dbraw/zinc/76/01/06/905760106.db2.gz BVIPDPKVASBMNX-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001337167297 921205107 /nfs/dbraw/zinc/20/51/07/921205107.db2.gz WXAYXORBURNKFI-NSHDSACASA-N 1 2 288.351 0.329 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001293592170 906494258 /nfs/dbraw/zinc/49/42/58/906494258.db2.gz AWEZJCHIHHXWBM-GFCCVEGCSA-N 1 2 290.367 0.646 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001295672505 906786470 /nfs/dbraw/zinc/78/64/70/906786470.db2.gz BMQVSIMAYUVUIE-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)CC ZINC001381506142 907258881 /nfs/dbraw/zinc/25/88/81/907258881.db2.gz YWNXKYGOHXIOII-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)CC ZINC001381506142 907258898 /nfs/dbraw/zinc/25/88/98/907258898.db2.gz YWNXKYGOHXIOII-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001337974523 921329163 /nfs/dbraw/zinc/32/91/63/921329163.db2.gz DQGLMJMSUHACRH-BXUZGUMPSA-N 1 2 277.372 0.186 20 30 CCEDLO C#CCN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001337974523 921329171 /nfs/dbraw/zinc/32/91/71/921329171.db2.gz DQGLMJMSUHACRH-BXUZGUMPSA-N 1 2 277.372 0.186 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NCC1CCC1 ZINC001492216618 907768911 /nfs/dbraw/zinc/76/89/11/907768911.db2.gz DVZRYZKVAARCBF-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NCC1CCC1 ZINC001492216618 907768923 /nfs/dbraw/zinc/76/89/23/907768923.db2.gz DVZRYZKVAARCBF-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001492250017 907802762 /nfs/dbraw/zinc/80/27/62/907802762.db2.gz OCGQCXVOYWGAFY-LBPRGKRZSA-N 1 2 279.340 0.569 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001492250017 907802774 /nfs/dbraw/zinc/80/27/74/907802774.db2.gz OCGQCXVOYWGAFY-LBPRGKRZSA-N 1 2 279.340 0.569 20 30 CCEDLO CCCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001492393045 907898643 /nfs/dbraw/zinc/89/86/43/907898643.db2.gz OIAPCIPCKFRFTN-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO CCCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001492393045 907898651 /nfs/dbraw/zinc/89/86/51/907898651.db2.gz OIAPCIPCKFRFTN-UHFFFAOYSA-N 1 2 282.388 0.500 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001302975711 908055234 /nfs/dbraw/zinc/05/52/34/908055234.db2.gz IRNVIVIMLNJFHZ-AWEZNQCLSA-N 1 2 263.341 0.961 20 30 CCEDLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)c2nccn21 ZINC001308845073 908438565 /nfs/dbraw/zinc/43/85/65/908438565.db2.gz YZEXCMIUHVOMAQ-UTLUCORTSA-N 1 2 250.302 0.859 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001316937984 908694675 /nfs/dbraw/zinc/69/46/75/908694675.db2.gz OAWQGSMMTJQCLU-CYBMUJFWSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001316937984 908694679 /nfs/dbraw/zinc/69/46/79/908694679.db2.gz OAWQGSMMTJQCLU-CYBMUJFWSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1C ZINC001316799854 908775456 /nfs/dbraw/zinc/77/54/56/908775456.db2.gz KZEJYHSOISLABB-TUAOUCFPSA-N 1 2 288.413 0.432 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1C ZINC001316799854 908775460 /nfs/dbraw/zinc/77/54/60/908775460.db2.gz KZEJYHSOISLABB-TUAOUCFPSA-N 1 2 288.413 0.432 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(CC)CC)C1 ZINC001316938713 908863548 /nfs/dbraw/zinc/86/35/48/908863548.db2.gz UWMWUNNSBKRZTR-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)C1 ZINC001316938713 908863566 /nfs/dbraw/zinc/86/35/66/908863566.db2.gz UWMWUNNSBKRZTR-AWEZNQCLSA-N 1 2 293.411 0.753 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001316964271 908876354 /nfs/dbraw/zinc/87/63/54/908876354.db2.gz WBOHHKRYWOTGAC-AWEZNQCLSA-N 1 2 287.379 0.017 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001316967766 908883673 /nfs/dbraw/zinc/88/36/73/908883673.db2.gz KZJUISBVVIVNFO-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001316967766 908883683 /nfs/dbraw/zinc/88/36/83/908883683.db2.gz KZJUISBVVIVNFO-ZDUSSCGKSA-N 1 2 279.384 0.669 20 30 CCEDLO N#CCN1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317177196 909033809 /nfs/dbraw/zinc/03/38/09/909033809.db2.gz PXNHOFDYLGYZRG-GFCCVEGCSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1cnsn1 ZINC001317238173 909075645 /nfs/dbraw/zinc/07/56/45/909075645.db2.gz FWUXGUBUVARIHY-VIFPVBQESA-N 1 2 264.354 0.546 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001317298351 909124484 /nfs/dbraw/zinc/12/44/84/909124484.db2.gz WTZXIYXTDJQNOX-SMDDNHRTSA-N 1 2 294.355 0.396 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001318070749 909606067 /nfs/dbraw/zinc/60/60/67/909606067.db2.gz GDOXXGHCRKGIKF-STQMWFEESA-N 1 2 282.384 0.805 20 30 CCEDLO C[C@H](C(=O)N[C@@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC001318098872 909619326 /nfs/dbraw/zinc/61/93/26/909619326.db2.gz SKAPPTPHJBPGQO-MWLCHTKSSA-N 1 2 250.327 0.960 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(CC#N)C1 ZINC001318160712 909647074 /nfs/dbraw/zinc/64/70/74/909647074.db2.gz BSTVMQCOGGOGGJ-JTQLQIEISA-N 1 2 261.329 0.160 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CN(CC#N)C1 ZINC001318160712 909647084 /nfs/dbraw/zinc/64/70/84/909647084.db2.gz BSTVMQCOGGOGGJ-JTQLQIEISA-N 1 2 261.329 0.160 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCOCC ZINC001318229096 909668685 /nfs/dbraw/zinc/66/86/85/909668685.db2.gz ZEVOXDQVUDJJHG-RDBSUJKOSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCCOCC ZINC001318229096 909668688 /nfs/dbraw/zinc/66/86/88/909668688.db2.gz ZEVOXDQVUDJJHG-RDBSUJKOSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)C1 ZINC001318312127 909700902 /nfs/dbraw/zinc/70/09/02/909700902.db2.gz NHENFYGWNNNZLR-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C1 ZINC001318312127 909700907 /nfs/dbraw/zinc/70/09/07/909700907.db2.gz NHENFYGWNNNZLR-CYBMUJFWSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1C[N@H+](CC(=C)C)CCO1 ZINC001319312065 910090591 /nfs/dbraw/zinc/09/05/91/910090591.db2.gz YPABTNIMAJGZLY-AWEZNQCLSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCOCCC(=O)NC[C@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001319312065 910090609 /nfs/dbraw/zinc/09/06/09/910090609.db2.gz YPABTNIMAJGZLY-AWEZNQCLSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001319320737 910097342 /nfs/dbraw/zinc/09/73/42/910097342.db2.gz YIONGUXOTGBDAS-DGCLKSJQSA-N 1 2 272.320 0.118 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001319320737 910097358 /nfs/dbraw/zinc/09/73/58/910097358.db2.gz YIONGUXOTGBDAS-DGCLKSJQSA-N 1 2 272.320 0.118 20 30 CCEDLO C=CCCC(=O)NCC1([NH2+]Cc2nnn(C)n2)CCCC1 ZINC001319341795 910107431 /nfs/dbraw/zinc/10/74/31/910107431.db2.gz WHNNTGNOMCZITM-UHFFFAOYSA-N 1 2 292.387 0.695 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001319552471 910199701 /nfs/dbraw/zinc/19/97/01/910199701.db2.gz LMZGDSFDVRVBDP-UHFFFAOYSA-N 1 2 260.297 0.104 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001319552471 910199714 /nfs/dbraw/zinc/19/97/14/910199714.db2.gz LMZGDSFDVRVBDP-UHFFFAOYSA-N 1 2 260.297 0.104 20 30 CCEDLO C#CCC[NH+]1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001319851025 910321686 /nfs/dbraw/zinc/32/16/86/910321686.db2.gz KTJOMVKZTZHZQC-AWEZNQCLSA-N 1 2 284.425 0.452 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001319991144 910401846 /nfs/dbraw/zinc/40/18/46/910401846.db2.gz GIORCDYTKUOBHH-UHFFFAOYSA-N 1 2 253.346 0.056 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001319991144 910401856 /nfs/dbraw/zinc/40/18/56/910401856.db2.gz GIORCDYTKUOBHH-UHFFFAOYSA-N 1 2 253.346 0.056 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](F)C(C)C ZINC001320034539 910427604 /nfs/dbraw/zinc/42/76/04/910427604.db2.gz MOBJLASHNLNHLZ-CYBMUJFWSA-N 1 2 287.379 0.673 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](F)C(C)C ZINC001320034539 910427621 /nfs/dbraw/zinc/42/76/21/910427621.db2.gz MOBJLASHNLNHLZ-CYBMUJFWSA-N 1 2 287.379 0.673 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001320260988 910565280 /nfs/dbraw/zinc/56/52/80/910565280.db2.gz WEYUCRVUKVALIC-ONGXEEELSA-N 1 2 296.371 0.718 20 30 CCEDLO CCc1noc(C[NH2+]CCN(CC)C(=O)C#CC2CC2)n1 ZINC001320733042 910830200 /nfs/dbraw/zinc/83/02/00/910830200.db2.gz JCNWPIYZGIVEGR-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC001320761118 910848922 /nfs/dbraw/zinc/84/89/22/910848922.db2.gz BCEUNXBTBPEMOJ-SRVKXCTJSA-N 1 2 281.356 0.592 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)CCc1c[nH+]cn1C ZINC001321047818 911035042 /nfs/dbraw/zinc/03/50/42/911035042.db2.gz YYODXSJIWOEVEZ-LBPRGKRZSA-N 1 2 250.302 0.398 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)CCc1cnn[nH]1 ZINC001321250328 911193771 /nfs/dbraw/zinc/19/37/71/911193771.db2.gz FTKCLQHUKBLPIJ-IHWYPQMZSA-N 1 2 283.763 0.752 20 30 CCEDLO CCCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001392464289 911831591 /nfs/dbraw/zinc/83/15/91/911831591.db2.gz FBWCWEHRPSSHGW-VHSXEESVSA-N 1 2 279.344 0.776 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CNCC#N)C1CC1 ZINC001323079653 912105698 /nfs/dbraw/zinc/10/56/98/912105698.db2.gz BDKITXLWORPVAP-GWCFXTLKSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CNCC#N)C1CC1 ZINC001323079653 912105703 /nfs/dbraw/zinc/10/57/03/912105703.db2.gz BDKITXLWORPVAP-GWCFXTLKSA-N 1 2 275.356 0.596 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(N)=O ZINC001399703859 915330329 /nfs/dbraw/zinc/33/03/29/915330329.db2.gz YYDHGRRVSOFHSQ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(N)=O ZINC001399703859 915330348 /nfs/dbraw/zinc/33/03/48/915330348.db2.gz YYDHGRRVSOFHSQ-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001399718887 915344316 /nfs/dbraw/zinc/34/43/16/915344316.db2.gz ZIKNPJQZDMZKKO-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001399718887 915344333 /nfs/dbraw/zinc/34/43/33/915344333.db2.gz ZIKNPJQZDMZKKO-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001328784049 915431315 /nfs/dbraw/zinc/43/13/15/915431315.db2.gz AWWXAQLMGRAFRK-CQSZACIVSA-N 1 2 289.383 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001329371073 915847387 /nfs/dbraw/zinc/84/73/87/915847387.db2.gz JWGZBYZIAJWXJN-SECBINFHSA-N 1 2 261.753 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001329371073 915847401 /nfs/dbraw/zinc/84/74/01/915847401.db2.gz JWGZBYZIAJWXJN-SECBINFHSA-N 1 2 261.753 0.312 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001400935724 915993219 /nfs/dbraw/zinc/99/32/19/915993219.db2.gz MIIRDIBQDLTEAH-IINYFYTJSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001329576770 916029780 /nfs/dbraw/zinc/02/97/80/916029780.db2.gz PTTJBFYBBSPTPI-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001329576770 916029799 /nfs/dbraw/zinc/02/97/99/916029799.db2.gz PTTJBFYBBSPTPI-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C=C2CCC2)C1 ZINC001329652137 916097818 /nfs/dbraw/zinc/09/78/18/916097818.db2.gz QLMUERYCDWEQFF-UHFFFAOYSA-N 1 2 262.353 0.673 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001330342443 916564001 /nfs/dbraw/zinc/56/40/01/916564001.db2.gz DWZZIWYLOYDHEX-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001330342443 916564020 /nfs/dbraw/zinc/56/40/20/916564020.db2.gz DWZZIWYLOYDHEX-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001401752455 916564835 /nfs/dbraw/zinc/56/48/35/916564835.db2.gz OXWHFOZKSVUDGT-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001401752455 916564845 /nfs/dbraw/zinc/56/48/45/916564845.db2.gz OXWHFOZKSVUDGT-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001401843864 916629765 /nfs/dbraw/zinc/62/97/65/916629765.db2.gz SESBPTMWYRZGCN-GXSJLCMTSA-N 1 2 291.355 0.776 20 30 CCEDLO C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001331490900 917371052 /nfs/dbraw/zinc/37/10/52/917371052.db2.gz RGCUEKZTZMZNHO-RYUDHWBXSA-N 1 2 275.356 0.406 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC001334644202 919687394 /nfs/dbraw/zinc/68/73/94/919687394.db2.gz MXCYIVRZTIRMFC-CHWSQXEVSA-N 1 2 250.346 0.427 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)/C=C\CC)n2C)CC1 ZINC001341402673 922467487 /nfs/dbraw/zinc/46/74/87/922467487.db2.gz VZIUTPTVEPQXFI-FWWRYZNZSA-N 1 2 289.383 0.570 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001419016454 922576358 /nfs/dbraw/zinc/57/63/58/922576358.db2.gz ICPYLNUIOWQOGD-NSHDSACASA-N 1 2 285.775 0.313 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001419091048 922630673 /nfs/dbraw/zinc/63/06/73/922630673.db2.gz TVMUKQMXKURJOG-VXGBXAGGSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001419091048 922630682 /nfs/dbraw/zinc/63/06/82/922630682.db2.gz TVMUKQMXKURJOG-VXGBXAGGSA-N 1 2 275.356 0.660 20 30 CCEDLO C=CCN(c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C)C1CC1 ZINC001341721241 922645334 /nfs/dbraw/zinc/64/53/34/922645334.db2.gz YNOFMRSOAKZESC-NEPJUHHUSA-N 1 2 277.372 0.707 20 30 CCEDLO C=CCN(c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C)C1CC1 ZINC001341721241 922645346 /nfs/dbraw/zinc/64/53/46/922645346.db2.gz YNOFMRSOAKZESC-NEPJUHHUSA-N 1 2 277.372 0.707 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419128864 922652696 /nfs/dbraw/zinc/65/26/96/922652696.db2.gz BMIUYEZUIXCAFY-NWDGAFQWSA-N 1 2 290.371 0.398 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419128864 922652704 /nfs/dbraw/zinc/65/27/04/922652704.db2.gz BMIUYEZUIXCAFY-NWDGAFQWSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001419545345 922905774 /nfs/dbraw/zinc/90/57/74/922905774.db2.gz QCBZRENBJUUVPH-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001419545345 922905782 /nfs/dbraw/zinc/90/57/82/922905782.db2.gz QCBZRENBJUUVPH-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO CC(C)c1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001419721991 923039450 /nfs/dbraw/zinc/03/94/50/923039450.db2.gz RKJIRNBSNAFOAK-VHSXEESVSA-N 1 2 279.344 0.947 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001342727017 923073895 /nfs/dbraw/zinc/07/38/95/923073895.db2.gz GVDWIEROUJSOBG-NWDGAFQWSA-N 1 2 271.361 0.207 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001342727017 923073912 /nfs/dbraw/zinc/07/39/12/923073912.db2.gz GVDWIEROUJSOBG-NWDGAFQWSA-N 1 2 271.361 0.207 20 30 CCEDLO C=CCCC[C@H]([NH3+])c1nc(CS(C)(=O)=O)no1 ZINC001345159789 923815238 /nfs/dbraw/zinc/81/52/38/923815238.db2.gz LQPNYTDWSPJNIQ-QMMMGPOBSA-N 1 2 259.331 0.970 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001420993365 924078398 /nfs/dbraw/zinc/07/83/98/924078398.db2.gz NMTVOASXDPTSBE-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001420993365 924078415 /nfs/dbraw/zinc/07/84/15/924078415.db2.gz NMTVOASXDPTSBE-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346438404 924212225 /nfs/dbraw/zinc/21/22/25/924212225.db2.gz WEVVPKYQLFCBQO-ZIAGYGMSSA-N 1 2 280.416 0.723 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC001346800791 924313029 /nfs/dbraw/zinc/31/30/29/924313029.db2.gz LCCKVDGISMEVMM-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001347233293 924403974 /nfs/dbraw/zinc/40/39/74/924403974.db2.gz HIHQMROIGDVMCQ-JTQLQIEISA-N 1 2 264.329 0.395 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001347233293 924403980 /nfs/dbraw/zinc/40/39/80/924403980.db2.gz HIHQMROIGDVMCQ-JTQLQIEISA-N 1 2 264.329 0.395 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC001348094027 924592913 /nfs/dbraw/zinc/59/29/13/924592913.db2.gz GVHHYHRXGGLEPM-OAHLLOKOSA-N 1 2 292.383 0.303 20 30 CCEDLO C#CC1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001349168714 924897223 /nfs/dbraw/zinc/89/72/23/924897223.db2.gz HKOZBEDSGWFPCU-UHFFFAOYSA-N 1 2 288.351 0.261 20 30 CCEDLO C=CCCC(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001350780566 925278366 /nfs/dbraw/zinc/27/83/66/925278366.db2.gz SJWNDEWFAPXELK-UHFFFAOYSA-N 1 2 290.367 0.979 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001351136257 925367777 /nfs/dbraw/zinc/36/77/77/925367777.db2.gz ZAGRAYKFHBBHPW-WDEREUQCSA-N 1 2 263.345 0.012 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001351136257 925367784 /nfs/dbraw/zinc/36/77/84/925367784.db2.gz ZAGRAYKFHBBHPW-WDEREUQCSA-N 1 2 263.345 0.012 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001351205891 925384392 /nfs/dbraw/zinc/38/43/92/925384392.db2.gz PLIZFQPDJSUCQN-QJPTWQEYSA-N 1 2 270.377 0.426 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001351205891 925384404 /nfs/dbraw/zinc/38/44/04/925384404.db2.gz PLIZFQPDJSUCQN-QJPTWQEYSA-N 1 2 270.377 0.426 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001351787988 925471865 /nfs/dbraw/zinc/47/18/65/925471865.db2.gz RWQGLWLBIMPWCN-ZIAGYGMSSA-N 1 2 298.431 0.465 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001351787988 925471873 /nfs/dbraw/zinc/47/18/73/925471873.db2.gz RWQGLWLBIMPWCN-ZIAGYGMSSA-N 1 2 298.431 0.465 20 30 CCEDLO CC(C)(C(=O)N1CCO[C@](C)(C#N)C1)c1c[nH+]c[nH]1 ZINC001352129212 925526392 /nfs/dbraw/zinc/52/63/92/925526392.db2.gz CWRHKNKPIRFXFM-CYBMUJFWSA-N 1 2 262.313 0.828 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001352897050 925668186 /nfs/dbraw/zinc/66/81/86/925668186.db2.gz FKKQCIXGCYFXBK-ZDUSSCGKSA-N 1 2 290.367 0.957 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1csnn1 ZINC001480459588 925777208 /nfs/dbraw/zinc/77/72/08/925777208.db2.gz OBFDNVJMACNDSJ-VIFPVBQESA-N 1 2 264.354 0.546 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2nncs2)CCC1 ZINC001421735974 926881669 /nfs/dbraw/zinc/88/16/69/926881669.db2.gz MAASWXCATMLVMW-SECBINFHSA-N 1 2 279.369 0.826 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCC(N)=O ZINC001422927168 927596472 /nfs/dbraw/zinc/59/64/72/927596472.db2.gz LAHPRYOVLVDZEH-SNVBAGLBSA-N 1 2 275.780 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCC(N)=O ZINC001422927168 927596480 /nfs/dbraw/zinc/59/64/80/927596480.db2.gz LAHPRYOVLVDZEH-SNVBAGLBSA-N 1 2 275.780 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nccnc1N ZINC001424918776 928345835 /nfs/dbraw/zinc/34/58/35/928345835.db2.gz FVLVZGOEQJXBGZ-VIFPVBQESA-N 1 2 283.763 0.861 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nccnc1N ZINC001424918776 928345845 /nfs/dbraw/zinc/34/58/45/928345845.db2.gz FVLVZGOEQJXBGZ-VIFPVBQESA-N 1 2 283.763 0.861 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426771809 928914615 /nfs/dbraw/zinc/91/46/15/928914615.db2.gz AENUZWLJEALCOQ-VXGBXAGGSA-N 1 2 289.339 0.102 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCN2CCO[C@H](C)C2)CC1 ZINC001363244604 929019203 /nfs/dbraw/zinc/01/92/03/929019203.db2.gz NZNMKKFXSUAJLO-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C#N)cc1F ZINC001363486378 929289814 /nfs/dbraw/zinc/28/98/14/929289814.db2.gz AHRWXQXRTPHPGK-LBPRGKRZSA-N 1 2 288.282 0.894 20 30 CCEDLO CCc1[nH]c(CNC(=O)CNc2ccc(C#N)cn2)c[nH+]1 ZINC001363597744 929404470 /nfs/dbraw/zinc/40/44/70/929404470.db2.gz MHSBSKRGTZKXIX-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO CCc1[nH]cc(CNC(=O)CNc2ccc(C#N)cn2)[nH+]1 ZINC001363597744 929404479 /nfs/dbraw/zinc/40/44/79/929404479.db2.gz MHSBSKRGTZKXIX-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001373025979 930047405 /nfs/dbraw/zinc/04/74/05/930047405.db2.gz TZUGRGWPYLPKOW-QWRGUYRKSA-N 1 2 291.355 0.133 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001445351033 930108688 /nfs/dbraw/zinc/10/86/88/930108688.db2.gz BICQHWZXECUYSZ-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001374477948 930524182 /nfs/dbraw/zinc/52/41/82/930524182.db2.gz AHGZCDSLTVXCBP-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001374477948 930524188 /nfs/dbraw/zinc/52/41/88/930524188.db2.gz AHGZCDSLTVXCBP-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH+]cn1C)c1ccncc1C#N ZINC001374796638 930667948 /nfs/dbraw/zinc/66/79/48/930667948.db2.gz UTXXZLXLUFDAMA-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001375034374 930769937 /nfs/dbraw/zinc/76/99/37/930769937.db2.gz XXPVQQJCFXXXAT-VIFPVBQESA-N 1 2 285.779 0.805 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001375034374 930769943 /nfs/dbraw/zinc/76/99/43/930769943.db2.gz XXPVQQJCFXXXAT-VIFPVBQESA-N 1 2 285.779 0.805 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001376126264 931059761 /nfs/dbraw/zinc/05/97/61/931059761.db2.gz PKMBVCOQZYHMBE-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001376126264 931059769 /nfs/dbraw/zinc/05/97/69/931059769.db2.gz PKMBVCOQZYHMBE-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001376126251 931060532 /nfs/dbraw/zinc/06/05/32/931060532.db2.gz PKMBVCOQZYHMBE-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001376126251 931060541 /nfs/dbraw/zinc/06/05/41/931060541.db2.gz PKMBVCOQZYHMBE-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001376318019 931121189 /nfs/dbraw/zinc/12/11/89/931121189.db2.gz NOXUCUQIDJKXRP-NSHDSACASA-N 1 2 291.355 0.419 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001376318019 931121194 /nfs/dbraw/zinc/12/11/94/931121194.db2.gz NOXUCUQIDJKXRP-NSHDSACASA-N 1 2 291.355 0.419 20 30 CCEDLO Cc1nonc1C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001376528596 931172385 /nfs/dbraw/zinc/17/23/85/931172385.db2.gz IPWPDUSZNFAWOZ-ZYHUDNBSSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1nonc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001376528596 931172393 /nfs/dbraw/zinc/17/23/93/931172393.db2.gz IPWPDUSZNFAWOZ-ZYHUDNBSSA-N 1 2 291.355 0.866 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccn1 ZINC000091753088 349474973 /nfs/dbraw/zinc/47/49/73/349474973.db2.gz KFYDUPZLETVIRX-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccn1 ZINC000091753088 349474976 /nfs/dbraw/zinc/47/49/76/349474976.db2.gz KFYDUPZLETVIRX-GFCCVEGCSA-N 1 2 257.297 0.163 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000599645843 361770937 /nfs/dbraw/zinc/77/09/37/361770937.db2.gz GFSWLPCKIQJLMK-UHFFFAOYSA-N 1 2 289.335 0.762 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645843 361770940 /nfs/dbraw/zinc/77/09/40/361770940.db2.gz GFSWLPCKIQJLMK-UHFFFAOYSA-N 1 2 289.335 0.762 20 30 CCEDLO Cc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)ccc1C#N ZINC000599663252 361777467 /nfs/dbraw/zinc/77/74/67/361777467.db2.gz CBLGMYMDRCVGCY-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)ccc1C#N ZINC000599663252 361777472 /nfs/dbraw/zinc/77/74/72/361777472.db2.gz CBLGMYMDRCVGCY-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000093756259 349552235 /nfs/dbraw/zinc/55/22/35/349552235.db2.gz WEFSNJOJLCQITH-UHFFFAOYSA-N 1 2 270.292 0.803 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC000093756259 349552239 /nfs/dbraw/zinc/55/22/39/349552239.db2.gz WEFSNJOJLCQITH-UHFFFAOYSA-N 1 2 270.292 0.803 20 30 CCEDLO N#Cc1ccc(NCC(=O)N2CCc3[nH]c[nH+]c3C2)nc1 ZINC000599952397 361841472 /nfs/dbraw/zinc/84/14/72/361841472.db2.gz MSQWLIGXZFAOEK-UHFFFAOYSA-N 1 2 282.307 0.095 20 30 CCEDLO N#Cc1ccc(NCC(=O)N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000599952397 361841474 /nfs/dbraw/zinc/84/14/74/361841474.db2.gz MSQWLIGXZFAOEK-UHFFFAOYSA-N 1 2 282.307 0.095 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cnccc1C#N ZINC000600418444 361956024 /nfs/dbraw/zinc/95/60/24/361956024.db2.gz CWHFFVPXGIQKMG-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cnccc1C#N ZINC000600418444 361956032 /nfs/dbraw/zinc/95/60/32/361956032.db2.gz CWHFFVPXGIQKMG-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3CCOCC3)C[C@@H]21 ZINC000329967966 529785089 /nfs/dbraw/zinc/78/50/89/529785089.db2.gz WLLJJOJZPRTTJH-QWHCGFSZSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3CCOCC3)C[C@@H]21 ZINC000329967966 529785090 /nfs/dbraw/zinc/78/50/90/529785090.db2.gz WLLJJOJZPRTTJH-QWHCGFSZSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3CCOCC3)C[C@H]21 ZINC000329967964 529785250 /nfs/dbraw/zinc/78/52/50/529785250.db2.gz WLLJJOJZPRTTJH-CHWSQXEVSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3CCOCC3)C[C@H]21 ZINC000329967964 529785252 /nfs/dbraw/zinc/78/52/52/529785252.db2.gz WLLJJOJZPRTTJH-CHWSQXEVSA-N 1 2 283.372 0.342 20 30 CCEDLO CC(C)(C)NC(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595804 349859420 /nfs/dbraw/zinc/85/94/20/349859420.db2.gz UCHGKOIEZXFGPF-ZDUSSCGKSA-N 1 2 288.351 0.589 20 30 CCEDLO N#Cc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128084812 187349756 /nfs/dbraw/zinc/34/97/56/187349756.db2.gz LQAVHDUNABNYLN-LLVKDONJSA-N 1 2 295.364 0.043 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000332491205 529860864 /nfs/dbraw/zinc/86/08/64/529860864.db2.gz FHJMCJJPBWVCCB-MFKMUULPSA-N 1 2 268.361 0.107 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000332491205 529860865 /nfs/dbraw/zinc/86/08/65/529860865.db2.gz FHJMCJJPBWVCCB-MFKMUULPSA-N 1 2 268.361 0.107 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCOC1 ZINC000329526604 529910113 /nfs/dbraw/zinc/91/01/13/529910113.db2.gz HQAMBXDVVFABLX-CQSZACIVSA-N 1 2 285.388 0.591 20 30 CCEDLO C=CCN(CCC#N)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601419660 362265069 /nfs/dbraw/zinc/26/50/69/362265069.db2.gz MIDHQPSLGLFWRD-GFCCVEGCSA-N 1 2 287.385 0.048 20 30 CCEDLO C=CCN(CCC#N)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601419660 362265072 /nfs/dbraw/zinc/26/50/72/362265072.db2.gz MIDHQPSLGLFWRD-GFCCVEGCSA-N 1 2 287.385 0.048 20 30 CCEDLO CN(CC(C)(C)C#N)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601421980 362266494 /nfs/dbraw/zinc/26/64/94/362266494.db2.gz NPWMNRKUOROWGS-LLVKDONJSA-N 1 2 289.401 0.128 20 30 CCEDLO CN(CC(C)(C)C#N)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601421980 362266496 /nfs/dbraw/zinc/26/64/96/362266496.db2.gz NPWMNRKUOROWGS-LLVKDONJSA-N 1 2 289.401 0.128 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601525894 362300366 /nfs/dbraw/zinc/30/03/66/362300366.db2.gz GZGLWFPXAIPWHZ-NSHDSACASA-N 1 2 299.400 0.687 20 30 CCEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000601678929 362352827 /nfs/dbraw/zinc/35/28/27/362352827.db2.gz HYSVVUXQGKEYQD-LLVKDONJSA-N 1 2 261.329 0.825 20 30 CCEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000601678929 362352831 /nfs/dbraw/zinc/35/28/31/362352831.db2.gz HYSVVUXQGKEYQD-LLVKDONJSA-N 1 2 261.329 0.825 20 30 CCEDLO CN(C(=O)C[N@H+](C)[C@@H]1COC[C@H]1O)C1(C#N)CCCCC1 ZINC000329198356 282339344 /nfs/dbraw/zinc/33/93/44/282339344.db2.gz VOMNROYSFUPLGV-CHWSQXEVSA-N 1 2 295.383 0.363 20 30 CCEDLO CN(C(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O)C1(C#N)CCCCC1 ZINC000329198356 282339346 /nfs/dbraw/zinc/33/93/46/282339346.db2.gz VOMNROYSFUPLGV-CHWSQXEVSA-N 1 2 295.383 0.363 20 30 CCEDLO N#Cc1ccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000601948659 362433216 /nfs/dbraw/zinc/43/32/16/362433216.db2.gz XJCOCNUYUUPARV-GFCCVEGCSA-N 1 2 254.293 0.866 20 30 CCEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000601970237 362443615 /nfs/dbraw/zinc/44/36/15/362443615.db2.gz NFGPGBRLEGAMMD-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)C1=O ZINC000601970237 362443616 /nfs/dbraw/zinc/44/36/16/362443616.db2.gz NFGPGBRLEGAMMD-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000602200666 362554679 /nfs/dbraw/zinc/55/46/79/362554679.db2.gz RNUAMUXUZBFGAD-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO N#Cc1cccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000602452008 362623303 /nfs/dbraw/zinc/62/33/03/362623303.db2.gz GWLOCHXXCKHXRY-OAHLLOKOSA-N 1 2 272.352 0.860 20 30 CCEDLO COc1nccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)n1 ZINC000602849060 362835446 /nfs/dbraw/zinc/83/54/46/362835446.db2.gz JPNRZOGMAYIPPH-VXGBXAGGSA-N 1 2 275.356 0.903 20 30 CCEDLO N#Cc1ccnc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000343370372 137131366 /nfs/dbraw/zinc/13/13/66/137131366.db2.gz RPYGVWHHHNHZQU-CYBMUJFWSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccnc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000343370372 137131367 /nfs/dbraw/zinc/13/13/67/137131367.db2.gz RPYGVWHHHNHZQU-CYBMUJFWSA-N 1 2 286.335 0.546 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028753664 348108337 /nfs/dbraw/zinc/10/83/37/348108337.db2.gz IKHHWJIBVWFQLS-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO C[C@@H]([NH2+]CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000035046476 348154160 /nfs/dbraw/zinc/15/41/60/348154160.db2.gz RBMMUOLDGWUUBV-SECBINFHSA-N 1 2 253.327 0.898 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000045915044 348345657 /nfs/dbraw/zinc/34/56/57/348345657.db2.gz DEILJIDDRTTXOV-CQSZACIVSA-N 1 2 263.385 0.638 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000045915044 348345660 /nfs/dbraw/zinc/34/56/60/348345660.db2.gz DEILJIDDRTTXOV-CQSZACIVSA-N 1 2 263.385 0.638 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974918 362916159 /nfs/dbraw/zinc/91/61/59/362916159.db2.gz VWBAOPBFCUNLIH-MNOVXSKESA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974918 362916163 /nfs/dbraw/zinc/91/61/63/362916163.db2.gz VWBAOPBFCUNLIH-MNOVXSKESA-N 1 2 267.329 0.290 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975245 362918177 /nfs/dbraw/zinc/91/81/77/362918177.db2.gz ZZRQCZVUCQWSEB-UWVGGRQHSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975245 362918183 /nfs/dbraw/zinc/91/81/83/362918183.db2.gz ZZRQCZVUCQWSEB-UWVGGRQHSA-N 1 2 252.318 0.456 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCC[C@@H]1C#N ZINC000602980112 362919858 /nfs/dbraw/zinc/91/98/58/362919858.db2.gz LXMLBCOPTNFGDI-VXGBXAGGSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCC[C@@H]1C#N ZINC000602980112 362919863 /nfs/dbraw/zinc/91/98/63/362919863.db2.gz LXMLBCOPTNFGDI-VXGBXAGGSA-N 1 2 271.386 0.646 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347306647 137330268 /nfs/dbraw/zinc/33/02/68/137330268.db2.gz MPSFQPUPIIXDON-PHIMTYICSA-N 1 2 295.364 0.376 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347306647 137330269 /nfs/dbraw/zinc/33/02/69/137330269.db2.gz MPSFQPUPIIXDON-PHIMTYICSA-N 1 2 295.364 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCC)CC(N)=O ZINC000048047912 348397309 /nfs/dbraw/zinc/39/73/09/348397309.db2.gz VMNBGPFWVFWDRQ-UHFFFAOYSA-N 1 2 269.389 0.998 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCC)CC(N)=O ZINC000048047912 348397313 /nfs/dbraw/zinc/39/73/13/348397313.db2.gz VMNBGPFWVFWDRQ-UHFFFAOYSA-N 1 2 269.389 0.998 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000051855849 348497284 /nfs/dbraw/zinc/49/72/84/348497284.db2.gz CLRFTBCQUUKDMR-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000051855849 348497286 /nfs/dbraw/zinc/49/72/86/348497286.db2.gz CLRFTBCQUUKDMR-LBPRGKRZSA-N 1 2 282.388 0.451 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000052687882 348513078 /nfs/dbraw/zinc/51/30/78/348513078.db2.gz ACHAJELDKSTFSF-OKILXGFUSA-N 1 2 278.400 0.632 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000052915241 348517371 /nfs/dbraw/zinc/51/73/71/348517371.db2.gz DJLTUSBIDQVEQN-UHFFFAOYSA-N 1 2 264.373 0.530 20 30 CCEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C#N)CC1 ZINC000057876890 348618161 /nfs/dbraw/zinc/61/81/61/348618161.db2.gz MZIYMBSANQJJPX-NSHDSACASA-N 1 2 292.383 0.347 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)CC1 ZINC000066469197 348744132 /nfs/dbraw/zinc/74/41/32/348744132.db2.gz SVWBHNKTERRGRW-NEPJUHHUSA-N 1 2 295.383 0.878 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000066469197 348744136 /nfs/dbraw/zinc/74/41/36/348744136.db2.gz SVWBHNKTERRGRW-NEPJUHHUSA-N 1 2 295.383 0.878 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000066473925 348744307 /nfs/dbraw/zinc/74/43/07/348744307.db2.gz PXKPYTZRYSFJBT-UHFFFAOYSA-N 1 2 283.335 0.944 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000066473925 348744309 /nfs/dbraw/zinc/74/43/09/348744309.db2.gz PXKPYTZRYSFJBT-UHFFFAOYSA-N 1 2 283.335 0.944 20 30 CCEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCCC#N)CC1 ZINC000068848281 348823605 /nfs/dbraw/zinc/82/36/05/348823605.db2.gz TURAKFNAVAQMBM-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCCC#N)CC1 ZINC000068848281 348823609 /nfs/dbraw/zinc/82/36/09/348823609.db2.gz TURAKFNAVAQMBM-CQSZACIVSA-N 1 2 294.399 0.155 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCSCC#N ZINC000603000014 362930308 /nfs/dbraw/zinc/93/03/08/362930308.db2.gz RDZNNPRYOJDWPZ-NSHDSACASA-N 1 2 286.401 0.263 20 30 CCEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCSCC#N ZINC000603000014 362930312 /nfs/dbraw/zinc/93/03/12/362930312.db2.gz RDZNNPRYOJDWPZ-NSHDSACASA-N 1 2 286.401 0.263 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000075637285 349043515 /nfs/dbraw/zinc/04/35/15/349043515.db2.gz DBUUQARARJWVLS-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000075637285 349043518 /nfs/dbraw/zinc/04/35/18/349043518.db2.gz DBUUQARARJWVLS-NSHDSACASA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](C)C#N ZINC000079312136 349174235 /nfs/dbraw/zinc/17/42/35/349174235.db2.gz GTEXBVWWVAHHIQ-VXGBXAGGSA-N 1 2 268.361 0.508 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080624364 349222699 /nfs/dbraw/zinc/22/26/99/349222699.db2.gz CRHOVAYAIQWIFT-UHFFFAOYSA-N 1 2 262.294 0.760 20 30 CCEDLO N#Cc1cc(S(=O)(=O)NCc2[nH]cc[nH+]2)ccc1F ZINC000080624471 349222924 /nfs/dbraw/zinc/22/29/24/349222924.db2.gz YSTCWVIIQLYXFT-UHFFFAOYSA-N 1 2 280.284 0.899 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080923205 349233421 /nfs/dbraw/zinc/23/34/21/349233421.db2.gz JZJKKYVOAPLZBM-UHFFFAOYSA-N 1 2 277.324 0.836 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080923205 349233424 /nfs/dbraw/zinc/23/34/24/349233424.db2.gz JZJKKYVOAPLZBM-UHFFFAOYSA-N 1 2 277.324 0.836 20 30 CCEDLO C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080973305 349236739 /nfs/dbraw/zinc/23/67/39/349236739.db2.gz LFQHGCCGQDUMAW-LLVKDONJSA-N 1 2 291.355 0.601 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC)C[C@H](C)C#N)CC1 ZINC000081667594 349279524 /nfs/dbraw/zinc/27/95/24/349279524.db2.gz USLOWLKEEHSIFF-CQSZACIVSA-N 1 2 276.384 0.245 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)COC1CCOCC1 ZINC000122247100 350063285 /nfs/dbraw/zinc/06/32/85/350063285.db2.gz ANEOBRFXUUOLAQ-ZDUSSCGKSA-N 1 2 286.372 0.405 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)COC1CCOCC1 ZINC000122247100 350063289 /nfs/dbraw/zinc/06/32/89/350063289.db2.gz ANEOBRFXUUOLAQ-ZDUSSCGKSA-N 1 2 286.372 0.405 20 30 CCEDLO CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000127343477 350167469 /nfs/dbraw/zinc/16/74/69/350167469.db2.gz DOBXUBBHESZUJB-UHFFFAOYSA-N 1 2 269.308 0.480 20 30 CCEDLO C=CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000150994725 350489047 /nfs/dbraw/zinc/48/90/47/350489047.db2.gz XXEYRYCUDRZEPQ-CYBMUJFWSA-N 1 2 294.399 0.511 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603120454 362969585 /nfs/dbraw/zinc/96/95/85/362969585.db2.gz QSSUOFNEVSNRNE-LBPRGKRZSA-N 1 2 275.312 0.405 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603120454 362969591 /nfs/dbraw/zinc/96/95/91/362969591.db2.gz QSSUOFNEVSNRNE-LBPRGKRZSA-N 1 2 275.312 0.405 20 30 CCEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000161556901 350725102 /nfs/dbraw/zinc/72/51/02/350725102.db2.gz WQKPHMXDNMHHMG-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO C#CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171150145 350889348 /nfs/dbraw/zinc/88/93/48/350889348.db2.gz BHVBPPCASVSQGK-UHFFFAOYSA-N 1 2 278.381 0.994 20 30 CCEDLO C#CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171150145 350889351 /nfs/dbraw/zinc/88/93/51/350889351.db2.gz BHVBPPCASVSQGK-UHFFFAOYSA-N 1 2 278.381 0.994 20 30 CCEDLO Cc1nc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC000185363518 351443923 /nfs/dbraw/zinc/44/39/23/351443923.db2.gz JMMPEOZRTZZVOK-UHFFFAOYSA-N 1 2 296.334 0.947 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000186067379 351475049 /nfs/dbraw/zinc/47/50/49/351475049.db2.gz ADKANQQCXSONCL-ZDUSSCGKSA-N 1 2 272.352 0.931 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2cc(C#N)ncn2)CCO1 ZINC000618686116 366076664 /nfs/dbraw/zinc/07/66/64/366076664.db2.gz BYIYBKHORDVOOF-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2cc(C#N)ncn2)CCO1 ZINC000618686116 366076669 /nfs/dbraw/zinc/07/66/69/366076669.db2.gz BYIYBKHORDVOOF-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603397019 363109279 /nfs/dbraw/zinc/10/92/79/363109279.db2.gz NVOKYZAWNDHCMJ-NWDGAFQWSA-N 1 2 282.369 0.837 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000265432405 352638859 /nfs/dbraw/zinc/63/88/59/352638859.db2.gz NIMTXOMTTMDPEQ-UHFFFAOYSA-N 1 2 280.397 0.876 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265556757 352646079 /nfs/dbraw/zinc/64/60/79/352646079.db2.gz RLKCRNLRHWLQDM-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO C#CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269910328 352885573 /nfs/dbraw/zinc/88/55/73/352885573.db2.gz KGPMXBOPLCYOMX-LBPRGKRZSA-N 1 2 258.325 0.983 20 30 CCEDLO Cc1c[nH+]ccc1CCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000269999539 352895015 /nfs/dbraw/zinc/89/50/15/352895015.db2.gz QYJFUUVTEUQGCU-UHFFFAOYSA-N 1 2 299.334 0.314 20 30 CCEDLO CC#CCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000274259376 353116832 /nfs/dbraw/zinc/11/68/32/353116832.db2.gz BCTZKAVOBZRMIK-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000274306759 353118527 /nfs/dbraw/zinc/11/85/27/353118527.db2.gz VYBZCHXKKSMJRY-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CC(OC)OC)n1 ZINC000279723190 353312116 /nfs/dbraw/zinc/31/21/16/353312116.db2.gz MDMPMAYTSUGPGK-UHFFFAOYSA-N 1 2 251.330 0.957 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CC(OC)OC)n1 ZINC000279723190 353312120 /nfs/dbraw/zinc/31/21/20/353312120.db2.gz MDMPMAYTSUGPGK-UHFFFAOYSA-N 1 2 251.330 0.957 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000280671499 353374605 /nfs/dbraw/zinc/37/46/05/353374605.db2.gz CNFDCJPUZKNXJB-LLVKDONJSA-N 1 2 261.329 0.789 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000293027850 353786646 /nfs/dbraw/zinc/78/66/46/353786646.db2.gz GANCPMHCLSNSIA-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000293027850 353786649 /nfs/dbraw/zinc/78/66/49/353786649.db2.gz GANCPMHCLSNSIA-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000295823615 353920803 /nfs/dbraw/zinc/92/08/03/353920803.db2.gz GSKWXVYJMLXNIA-CYBMUJFWSA-N 1 2 274.368 0.943 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000295823615 353920807 /nfs/dbraw/zinc/92/08/07/353920807.db2.gz GSKWXVYJMLXNIA-CYBMUJFWSA-N 1 2 274.368 0.943 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC000556841622 291012349 /nfs/dbraw/zinc/01/23/49/291012349.db2.gz DDVQTAFSFRGYRG-UHFFFAOYSA-N 1 2 267.292 0.999 20 30 CCEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCCC(=O)N1 ZINC000618981423 366137918 /nfs/dbraw/zinc/13/79/18/366137918.db2.gz PCKFVCJUPQKPKW-JTQLQIEISA-N 1 2 299.338 0.821 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329752780 354259885 /nfs/dbraw/zinc/25/98/85/354259885.db2.gz WKGZVGQBWROEFY-UTLUCORTSA-N 1 2 264.329 0.636 20 30 CCEDLO C[C@@H]1C[C@H](O)CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329752780 354259888 /nfs/dbraw/zinc/25/98/88/354259888.db2.gz WKGZVGQBWROEFY-UTLUCORTSA-N 1 2 264.329 0.636 20 30 CCEDLO C[C@@H](C[NH+]1CCC(F)(C#N)CC1)CS(C)(=O)=O ZINC000352463282 295898230 /nfs/dbraw/zinc/89/82/30/295898230.db2.gz IVUBHZMKLNABRN-JTQLQIEISA-N 1 2 262.350 0.995 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000336882076 355219616 /nfs/dbraw/zinc/21/96/16/355219616.db2.gz BNXHBNYKCWCUMT-UHFFFAOYSA-N 1 2 285.373 0.332 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[S@@](=O)C[C@@H](C)C2)C1=O ZINC000337256581 355291575 /nfs/dbraw/zinc/29/15/75/355291575.db2.gz UDAAVIRRMSNBRF-OAVHHTNSSA-N 1 2 270.398 0.474 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[S@@](=O)C[C@@H](C)C2)C1=O ZINC000337256581 355291576 /nfs/dbraw/zinc/29/15/76/355291576.db2.gz UDAAVIRRMSNBRF-OAVHHTNSSA-N 1 2 270.398 0.474 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1CCNC1=O ZINC000340225366 355530519 /nfs/dbraw/zinc/53/05/19/355530519.db2.gz HNWOVDXNMDIGRL-ZWNOBZJWSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225366 355530526 /nfs/dbraw/zinc/53/05/26/355530526.db2.gz HNWOVDXNMDIGRL-ZWNOBZJWSA-N 1 2 286.335 0.706 20 30 CCEDLO Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)c(C#N)cn1 ZINC000425206642 235273177 /nfs/dbraw/zinc/27/31/77/235273177.db2.gz XYMAZIQSGZYKJH-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO CCc1c[nH+]ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000341416534 355667612 /nfs/dbraw/zinc/66/76/12/355667612.db2.gz BYAJXUCRARGVSC-VIFPVBQESA-N 1 2 270.296 0.729 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)nc1 ZINC000345414311 355820416 /nfs/dbraw/zinc/82/04/16/355820416.db2.gz NABSMHBTTNXMDI-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO N#Cc1csc(C[NH2+]CC(=O)NCC(F)(F)F)n1 ZINC000352826814 356091075 /nfs/dbraw/zinc/09/10/75/356091075.db2.gz XGMJFTLAIIJBMA-UHFFFAOYSA-N 1 2 278.259 0.783 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c(F)c1 ZINC000361295680 138027442 /nfs/dbraw/zinc/02/74/42/138027442.db2.gz FYYLGJSLGQSLGO-GJZGRUSLSA-N 1 2 291.326 0.579 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000353897666 356312302 /nfs/dbraw/zinc/31/23/02/356312302.db2.gz OPGJFHIBADSSLN-ZDUSSCGKSA-N 1 2 288.351 0.672 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000353897666 356312306 /nfs/dbraw/zinc/31/23/06/356312306.db2.gz OPGJFHIBADSSLN-ZDUSSCGKSA-N 1 2 288.351 0.672 20 30 CCEDLO Cc1cccc(NC(=O)C(=O)NCc2c[nH+]cn2C)c1C#N ZINC000354662995 356468137 /nfs/dbraw/zinc/46/81/37/356468137.db2.gz JFSHNVXSMQVFKC-UHFFFAOYSA-N 1 2 297.318 0.855 20 30 CCEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355076504 356568637 /nfs/dbraw/zinc/56/86/37/356568637.db2.gz CKAVGZOUQFXUDQ-GFCCVEGCSA-N 1 2 273.340 0.339 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000610138513 363539362 /nfs/dbraw/zinc/53/93/62/363539362.db2.gz MQLZUGGICHIHPP-GFCCVEGCSA-N 1 2 292.383 0.301 20 30 CCEDLO C=C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)OC ZINC000619700432 366324762 /nfs/dbraw/zinc/32/47/62/366324762.db2.gz WZNOPBPSWIEEEK-LBPRGKRZSA-N 1 2 266.341 0.705 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2ccncc2)CC1 ZINC000619719893 366339551 /nfs/dbraw/zinc/33/95/51/366339551.db2.gz KVTSFIDVNKXMEC-CQSZACIVSA-N 1 2 275.352 0.927 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cn[nH]c1 ZINC000610487645 363566375 /nfs/dbraw/zinc/56/63/75/363566375.db2.gz QOEZVJYPRKJCAF-ZDUSSCGKSA-N 1 2 261.329 0.650 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cn[nH]c1 ZINC000610487645 363566378 /nfs/dbraw/zinc/56/63/78/363566378.db2.gz QOEZVJYPRKJCAF-ZDUSSCGKSA-N 1 2 261.329 0.650 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000359484318 356830004 /nfs/dbraw/zinc/83/00/04/356830004.db2.gz RILQZCALMZNEOO-UHFFFAOYSA-N 1 2 253.265 0.806 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365277162 357140027 /nfs/dbraw/zinc/14/00/27/357140027.db2.gz SXAVDKGOJJBKKG-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365277162 357140032 /nfs/dbraw/zinc/14/00/32/357140032.db2.gz SXAVDKGOJJBKKG-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH]1 ZINC000610560447 363574851 /nfs/dbraw/zinc/57/48/51/363574851.db2.gz IHRGIBANAVYUJS-JTQLQIEISA-N 1 2 299.338 0.848 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000368012200 357307112 /nfs/dbraw/zinc/30/71/12/357307112.db2.gz PNARRNZZBLDRPT-UHFFFAOYSA-N 1 2 288.332 0.959 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000491664980 332273785 /nfs/dbraw/zinc/27/37/85/332273785.db2.gz FXWMIRBAHNGLEB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC000491664980 332273786 /nfs/dbraw/zinc/27/37/86/332273786.db2.gz FXWMIRBAHNGLEB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2cc(C#N)cnn2)C1 ZINC000400839311 357795297 /nfs/dbraw/zinc/79/52/97/357795297.db2.gz FVDRJIDRESRITM-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2cc(C#N)cnn2)C1 ZINC000400839311 357795301 /nfs/dbraw/zinc/79/53/01/357795301.db2.gz FVDRJIDRESRITM-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000568079875 358631434 /nfs/dbraw/zinc/63/14/34/358631434.db2.gz CPSQWHLJHLKIJT-LLVKDONJSA-N 1 2 280.353 0.390 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CC[N@@H+]1CCO ZINC000572108013 358927956 /nfs/dbraw/zinc/92/79/56/358927956.db2.gz VJWGWSJTWYYMSY-CZUORRHYSA-N 1 2 291.395 0.985 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CC[N@H+]1CCO ZINC000572108013 358927960 /nfs/dbraw/zinc/92/79/60/358927960.db2.gz VJWGWSJTWYYMSY-CZUORRHYSA-N 1 2 291.395 0.985 20 30 CCEDLO N#CC1(C[NH+]2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000575242429 359042031 /nfs/dbraw/zinc/04/20/31/359042031.db2.gz BFSQHMPBJXOAFY-UHFFFAOYSA-N 1 2 283.339 0.550 20 30 CCEDLO Cc1cc(=NC(=O)N2CCn3c[nH+]cc3C2)[nH]n1CCC#N ZINC000589333648 359379013 /nfs/dbraw/zinc/37/90/13/359379013.db2.gz UUFUWPJUHNHIDQ-UHFFFAOYSA-N 1 2 299.338 0.771 20 30 CCEDLO N#CC1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000590491002 359477656 /nfs/dbraw/zinc/47/76/56/359477656.db2.gz VKQZHNNYBPWOCE-CYBMUJFWSA-N 1 2 263.341 0.612 20 30 CCEDLO N#CC1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000590491002 359477659 /nfs/dbraw/zinc/47/76/59/359477659.db2.gz VKQZHNNYBPWOCE-CYBMUJFWSA-N 1 2 263.341 0.612 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1C#N ZINC000611127129 363662356 /nfs/dbraw/zinc/66/23/56/363662356.db2.gz YBOSKXSXHIISRY-TXEJJXNPSA-N 1 2 290.319 0.272 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1C#N ZINC000611127129 363662361 /nfs/dbraw/zinc/66/23/61/363662361.db2.gz YBOSKXSXHIISRY-TXEJJXNPSA-N 1 2 290.319 0.272 20 30 CCEDLO CNC(=O)[C@@]1(COC)CCC[N@@H+]1CC1(C#N)CC1 ZINC000591647752 359627479 /nfs/dbraw/zinc/62/74/79/359627479.db2.gz VJGXJARHIFEFEN-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO CNC(=O)[C@@]1(COC)CCC[N@H+]1CC1(C#N)CC1 ZINC000591647752 359627485 /nfs/dbraw/zinc/62/74/85/359627485.db2.gz VJGXJARHIFEFEN-ZDUSSCGKSA-N 1 2 251.330 0.517 20 30 CCEDLO Cc1cc(NCCc2nnc3n2CCC3)c(C#N)c[nH+]1 ZINC000591817990 359663192 /nfs/dbraw/zinc/66/31/92/359663192.db2.gz IWOBLNJWWRIWQD-UHFFFAOYSA-N 1 2 268.324 0.876 20 30 CCEDLO N#CCCCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000591833097 359663870 /nfs/dbraw/zinc/66/38/70/359663870.db2.gz BKRMFCZPFVYQGN-CYBMUJFWSA-N 1 2 283.372 0.270 20 30 CCEDLO C=CCOCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000591873136 359671595 /nfs/dbraw/zinc/67/15/95/359671595.db2.gz UCYWHIRICXKGSF-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000592084955 359752474 /nfs/dbraw/zinc/75/24/74/359752474.db2.gz QPXIFQCNAXFLFF-CQSZACIVSA-N 1 2 295.431 0.860 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148258 359767611 /nfs/dbraw/zinc/76/76/11/359767611.db2.gz SRSSPUKWAJRIKW-ZDUSSCGKSA-N 1 2 253.346 0.642 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148258 359767615 /nfs/dbraw/zinc/76/76/15/359767615.db2.gz SRSSPUKWAJRIKW-ZDUSSCGKSA-N 1 2 253.346 0.642 20 30 CCEDLO CCC[N@H+](CC(=O)NC)Cc1cnc2c(C#N)cnn2c1 ZINC000592500405 359862677 /nfs/dbraw/zinc/86/26/77/359862677.db2.gz SZDWEMLGVULVFG-UHFFFAOYSA-N 1 2 286.339 0.559 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)Cc1cnc2c(C#N)cnn2c1 ZINC000592500405 359862685 /nfs/dbraw/zinc/86/26/85/359862685.db2.gz SZDWEMLGVULVFG-UHFFFAOYSA-N 1 2 286.339 0.559 20 30 CCEDLO COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000611229634 363688580 /nfs/dbraw/zinc/68/85/80/363688580.db2.gz QSCTYTILKATXFM-UWVGGRQHSA-N 1 2 253.302 0.042 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000298060222 200325771 /nfs/dbraw/zinc/32/57/71/200325771.db2.gz KYSYOOVUNZKBNJ-CHWSQXEVSA-N 1 2 290.367 0.937 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000298060226 200325820 /nfs/dbraw/zinc/32/58/20/200325820.db2.gz KYSYOOVUNZKBNJ-OLZOCXBDSA-N 1 2 290.367 0.937 20 30 CCEDLO C[C@H](OCC1CC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155324 360048435 /nfs/dbraw/zinc/04/84/35/360048435.db2.gz NBHMJCRJBIVSFY-GXFFZTMASA-N 1 2 253.346 0.762 20 30 CCEDLO CN(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1 ZINC000593154712 360048647 /nfs/dbraw/zinc/04/86/47/360048647.db2.gz UZRJCYBKIZKILY-CQSZACIVSA-N 1 2 275.356 0.721 20 30 CCEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)nn1 ZINC000593154961 360048774 /nfs/dbraw/zinc/04/87/74/360048774.db2.gz RBDXJLIPSMJZCE-ZDUSSCGKSA-N 1 2 261.329 0.667 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094979 360034334 /nfs/dbraw/zinc/03/43/34/360034334.db2.gz MSGWEPDRXJYJJM-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094979 360034341 /nfs/dbraw/zinc/03/43/41/360034341.db2.gz MSGWEPDRXJYJJM-OAVHHTNSSA-N 1 2 270.398 0.616 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)C1CC1 ZINC000593094960 360035037 /nfs/dbraw/zinc/03/50/37/360035037.db2.gz MIXZDVHXKHCVHQ-VNVDIYFQSA-N 1 2 281.381 0.000 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)C1CC1 ZINC000593094960 360035038 /nfs/dbraw/zinc/03/50/38/360035038.db2.gz MIXZDVHXKHCVHQ-VNVDIYFQSA-N 1 2 281.381 0.000 20 30 CCEDLO COCCOCCN1CC[NH+](CCCC#N)CC1 ZINC000593117626 360043586 /nfs/dbraw/zinc/04/35/86/360043586.db2.gz QJVJVJUBSILRAO-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000298240581 200368887 /nfs/dbraw/zinc/36/88/87/200368887.db2.gz SCFBMZGGEBLNJZ-GFCCVEGCSA-N 1 2 269.389 0.915 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)NCCC ZINC000298240581 200368888 /nfs/dbraw/zinc/36/88/88/200368888.db2.gz SCFBMZGGEBLNJZ-GFCCVEGCSA-N 1 2 269.389 0.915 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000593555627 360112652 /nfs/dbraw/zinc/11/26/52/360112652.db2.gz GHDBUOJMMAFHCV-SCZZXKLOSA-N 1 2 264.285 0.160 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000593555627 360112655 /nfs/dbraw/zinc/11/26/55/360112655.db2.gz GHDBUOJMMAFHCV-SCZZXKLOSA-N 1 2 264.285 0.160 20 30 CCEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1CSC[NH2+]1 ZINC000593917064 360211878 /nfs/dbraw/zinc/21/18/78/360211878.db2.gz WUJVXLQXJIJACF-LLVKDONJSA-N 1 2 287.348 0.766 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000594011625 360234325 /nfs/dbraw/zinc/23/43/25/360234325.db2.gz DKWDQCIEQSLNEG-ZETCQYMHSA-N 1 2 280.250 0.656 20 30 CCEDLO C[C@H](CNc1ncncc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592373 360337014 /nfs/dbraw/zinc/33/70/14/360337014.db2.gz QPJFFUBWWYZNTG-UTUOFQBUSA-N 1 2 275.356 0.680 20 30 CCEDLO C[C@H](CNc1ncncc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592373 360337017 /nfs/dbraw/zinc/33/70/17/360337017.db2.gz QPJFFUBWWYZNTG-UTUOFQBUSA-N 1 2 275.356 0.680 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](C(N)=O)O1 ZINC000177257655 189040582 /nfs/dbraw/zinc/04/05/82/189040582.db2.gz UFMXGNLAQCLPJT-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](C(N)=O)O1 ZINC000177257655 189040583 /nfs/dbraw/zinc/04/05/83/189040583.db2.gz UFMXGNLAQCLPJT-MFKMUULPSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611429040 363716769 /nfs/dbraw/zinc/71/67/69/363716769.db2.gz KVDNOUURCHXTIV-LBPRGKRZSA-N 1 2 276.384 0.575 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000594715128 360365389 /nfs/dbraw/zinc/36/53/89/360365389.db2.gz OPSDENTXXPTKTJ-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2[nH+]1 ZINC000594996145 360430549 /nfs/dbraw/zinc/43/05/49/360430549.db2.gz XAZFQRCHEQGCMJ-VIFPVBQESA-N 1 2 285.307 0.857 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595313703 360492609 /nfs/dbraw/zinc/49/26/09/360492609.db2.gz WQYLLFZBHJYRIQ-KGLIPLIRSA-N 1 2 274.320 0.709 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595313703 360492617 /nfs/dbraw/zinc/49/26/17/360492617.db2.gz WQYLLFZBHJYRIQ-KGLIPLIRSA-N 1 2 274.320 0.709 20 30 CCEDLO COC[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000595335687 360497837 /nfs/dbraw/zinc/49/78/37/360497837.db2.gz XDLSOECCYQCRLD-CQSZACIVSA-N 1 2 285.388 0.196 20 30 CCEDLO COC[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000595335687 360497841 /nfs/dbraw/zinc/49/78/41/360497841.db2.gz XDLSOECCYQCRLD-CQSZACIVSA-N 1 2 285.388 0.196 20 30 CCEDLO COC[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000595335687 360497844 /nfs/dbraw/zinc/49/78/44/360497844.db2.gz XDLSOECCYQCRLD-CQSZACIVSA-N 1 2 285.388 0.196 20 30 CCEDLO C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1[nH+]ccn1C ZINC000595382298 360514293 /nfs/dbraw/zinc/51/42/93/360514293.db2.gz FBDSVVCHKOVPRA-NXEZZACHSA-N 1 2 285.373 0.407 20 30 CCEDLO C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)c1[nH+]ccn1C ZINC000595384567 360515467 /nfs/dbraw/zinc/51/54/67/360515467.db2.gz YBYIYUSOHGFBLK-NXEZZACHSA-N 1 2 285.373 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382919 360515549 /nfs/dbraw/zinc/51/55/49/360515549.db2.gz LAFWBOSQVZDRTD-WDEREUQCSA-N 1 2 299.400 0.797 20 30 CCEDLO C[C@]1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000595593667 360591012 /nfs/dbraw/zinc/59/10/12/360591012.db2.gz QVXRXALZTZXRNI-CQSZACIVSA-N 1 2 292.383 0.796 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000595614991 360596816 /nfs/dbraw/zinc/59/68/16/360596816.db2.gz NSQICVYOYSDWHX-CYBMUJFWSA-N 1 2 292.383 0.351 20 30 CCEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000595614991 360596824 /nfs/dbraw/zinc/59/68/24/360596824.db2.gz NSQICVYOYSDWHX-CYBMUJFWSA-N 1 2 292.383 0.351 20 30 CCEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)C(=O)N(C)C ZINC000595611149 360597369 /nfs/dbraw/zinc/59/73/69/360597369.db2.gz HLQLKMCXBCEWJY-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)C(=O)N(C)C ZINC000595611149 360597378 /nfs/dbraw/zinc/59/73/78/360597378.db2.gz HLQLKMCXBCEWJY-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC3CC2(C(=O)OC)C3)C1=O ZINC000595680758 360620051 /nfs/dbraw/zinc/62/00/51/360620051.db2.gz UMAPMXZFBQFTLR-CVZZAPKMSA-N 1 2 264.325 0.411 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC3CC2(C(=O)OC)C3)C1=O ZINC000595680758 360620055 /nfs/dbraw/zinc/62/00/55/360620055.db2.gz UMAPMXZFBQFTLR-CVZZAPKMSA-N 1 2 264.325 0.411 20 30 CCEDLO N#Cc1csc(CN2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000595739842 360635694 /nfs/dbraw/zinc/63/56/94/360635694.db2.gz RAYJSPZVRGSQEX-GFCCVEGCSA-N 1 2 278.381 0.921 20 30 CCEDLO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595821648 360668558 /nfs/dbraw/zinc/66/85/58/360668558.db2.gz YNLJUAOIRSGHGZ-MNOVXSKESA-N 1 2 259.375 0.502 20 30 CCEDLO CC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595821648 360668561 /nfs/dbraw/zinc/66/85/61/360668561.db2.gz YNLJUAOIRSGHGZ-MNOVXSKESA-N 1 2 259.375 0.502 20 30 CCEDLO N#Cc1csc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000179474917 189196793 /nfs/dbraw/zinc/19/67/93/189196793.db2.gz ZAUNZYMXNMTNEA-NSHDSACASA-N 1 2 295.364 0.043 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCSC[C@H]1C#N ZINC000597476931 361108406 /nfs/dbraw/zinc/10/84/06/361108406.db2.gz MJFSJARWVLTFTJ-GMTAPVOTSA-N 1 2 276.365 0.991 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597755427 361236446 /nfs/dbraw/zinc/23/64/46/361236446.db2.gz UERMXRKZUPDDLX-SNVBAGLBSA-N 1 2 262.313 0.513 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597755427 361236450 /nfs/dbraw/zinc/23/64/50/361236450.db2.gz UERMXRKZUPDDLX-SNVBAGLBSA-N 1 2 262.313 0.513 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889053 361277179 /nfs/dbraw/zinc/27/71/79/361277179.db2.gz DPTFXDVDJCHLAK-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889053 361277187 /nfs/dbraw/zinc/27/71/87/361277187.db2.gz DPTFXDVDJCHLAK-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597902655 361279540 /nfs/dbraw/zinc/27/95/40/361279540.db2.gz BMGJSMVTRYOXOD-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597902655 361279546 /nfs/dbraw/zinc/27/95/46/361279546.db2.gz BMGJSMVTRYOXOD-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844802 361265302 /nfs/dbraw/zinc/26/53/02/361265302.db2.gz CHZBXJRWOOGHAE-NXEZZACHSA-N 1 2 264.329 0.756 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000598945773 361536430 /nfs/dbraw/zinc/53/64/30/361536430.db2.gz CBAMAZCVBNFARD-SECBINFHSA-N 1 2 255.281 0.828 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000598968305 361543688 /nfs/dbraw/zinc/54/36/88/361543688.db2.gz XIYCRJWSCKWFHJ-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000598968305 361543695 /nfs/dbraw/zinc/54/36/95/361543695.db2.gz XIYCRJWSCKWFHJ-AWEZNQCLSA-N 1 2 288.351 0.688 20 30 CCEDLO N#CC1(NC(=O)CN2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000599422851 361692021 /nfs/dbraw/zinc/69/20/21/361692021.db2.gz QMZJOOLHFDCPFT-UHFFFAOYSA-N 1 2 259.313 0.330 20 30 CCEDLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1C#N ZINC000599477749 361715951 /nfs/dbraw/zinc/71/59/51/361715951.db2.gz NEAAYESNDFNHQX-OLZOCXBDSA-N 1 2 259.309 0.287 20 30 CCEDLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1C#N ZINC000599477749 361715955 /nfs/dbraw/zinc/71/59/55/361715955.db2.gz NEAAYESNDFNHQX-OLZOCXBDSA-N 1 2 259.309 0.287 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)N1CCCC1 ZINC000613244346 364178398 /nfs/dbraw/zinc/17/83/98/364178398.db2.gz SYMIRYWMPRHHPJ-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)N1CCCC1 ZINC000613244346 364178406 /nfs/dbraw/zinc/17/84/06/364178406.db2.gz SYMIRYWMPRHHPJ-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)nc1 ZINC000614022905 364462697 /nfs/dbraw/zinc/46/26/97/364462697.db2.gz HHKWDPUUNDMZNQ-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000614403321 364596420 /nfs/dbraw/zinc/59/64/20/364596420.db2.gz RHHSYCHSLWFNCK-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000614403321 364596427 /nfs/dbraw/zinc/59/64/27/364596427.db2.gz RHHSYCHSLWFNCK-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#N)n1 ZINC000564943455 291322734 /nfs/dbraw/zinc/32/27/34/291322734.db2.gz VKDQQJUCYUJMBK-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615539135 364997628 /nfs/dbraw/zinc/99/76/28/364997628.db2.gz FITZOESVWRRWOH-CQSZACIVSA-N 1 2 298.362 0.744 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615539135 364997631 /nfs/dbraw/zinc/99/76/31/364997631.db2.gz FITZOESVWRRWOH-CQSZACIVSA-N 1 2 298.362 0.744 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(CCC#N)CC1 ZINC000615793375 365090537 /nfs/dbraw/zinc/09/05/37/365090537.db2.gz LUQZUOVTMNZMQQ-ZDUSSCGKSA-N 1 2 289.383 0.469 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565157468 291348845 /nfs/dbraw/zinc/34/88/45/291348845.db2.gz NEZKNTPRNOJMHS-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565157468 291348847 /nfs/dbraw/zinc/34/88/47/291348847.db2.gz NEZKNTPRNOJMHS-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616863920 365462677 /nfs/dbraw/zinc/46/26/77/365462677.db2.gz YTIYIKWANMOLTJ-SWLSCSKDSA-N 1 2 295.383 0.923 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623337290 367539253 /nfs/dbraw/zinc/53/92/53/367539253.db2.gz BZFGPYIDLMIXPR-CQSZACIVSA-N 1 2 290.367 0.768 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623337290 367539258 /nfs/dbraw/zinc/53/92/58/367539258.db2.gz BZFGPYIDLMIXPR-CQSZACIVSA-N 1 2 290.367 0.768 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623990679 367717442 /nfs/dbraw/zinc/71/74/42/367717442.db2.gz JPBLLFDLDBOANK-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623990679 367717449 /nfs/dbraw/zinc/71/74/49/367717449.db2.gz JPBLLFDLDBOANK-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCCC[C@@H](C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632183617 370910818 /nfs/dbraw/zinc/91/08/18/370910818.db2.gz ALFVCCCOSFWUSG-CHWSQXEVSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCC[C@@H](C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632183617 370910824 /nfs/dbraw/zinc/91/08/24/370910824.db2.gz ALFVCCCOSFWUSG-CHWSQXEVSA-N 1 2 290.429 0.981 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnnc(C)c2)CC1 ZINC000276047262 193197756 /nfs/dbraw/zinc/19/77/56/193197756.db2.gz HXOKKIMHWOFVON-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)ccn2)CC[N@@H+]1CCO ZINC000330772628 203215364 /nfs/dbraw/zinc/21/53/64/203215364.db2.gz DQEGNGNNXKUXMW-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)ccn2)CC[N@H+]1CCO ZINC000330772628 203215367 /nfs/dbraw/zinc/21/53/67/203215367.db2.gz DQEGNGNNXKUXMW-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C=C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632285652 370963339 /nfs/dbraw/zinc/96/33/39/370963339.db2.gz YLFFWPCJOCWFJR-STQMWFEESA-N 1 2 288.413 0.687 20 30 CCEDLO C=C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632285652 370963341 /nfs/dbraw/zinc/96/33/41/370963341.db2.gz YLFFWPCJOCWFJR-STQMWFEESA-N 1 2 288.413 0.687 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000630983755 370348996 /nfs/dbraw/zinc/34/89/96/370348996.db2.gz CFURTJQMVGTHKR-LLVKDONJSA-N 1 2 262.313 0.849 20 30 CCEDLO Cc1cc(NC[C@H]2CCCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000333417784 205304740 /nfs/dbraw/zinc/30/47/40/205304740.db2.gz ILUFZYNUGUDLGB-LLVKDONJSA-N 1 2 279.365 0.920 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000636102571 373361256 /nfs/dbraw/zinc/36/12/56/373361256.db2.gz QFZVYUVNDFBYQO-UHTWSYAYSA-N 1 2 261.325 0.905 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640885589 376599417 /nfs/dbraw/zinc/59/94/17/376599417.db2.gz JZSDQIJLOMRTFL-SNVBAGLBSA-N 1 2 260.301 0.386 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(C)C)C2=O)nn1 ZINC000641117107 376795601 /nfs/dbraw/zinc/79/56/01/376795601.db2.gz HIEJDUAGPSXRMK-CQSZACIVSA-N 1 2 289.383 0.963 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC2(CS(C)(=O)=O)CC2)nn1 ZINC000641143114 376804356 /nfs/dbraw/zinc/80/43/56/376804356.db2.gz SPRYLFYSBJESHM-UHFFFAOYSA-N 1 2 296.396 0.216 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(C)cc(=O)[nH]2)nn1 ZINC000641145488 376807399 /nfs/dbraw/zinc/80/73/99/376807399.db2.gz KQHWXZAAPACPNG-NSHDSACASA-N 1 2 286.339 0.804 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2C(C)C)nn1 ZINC000641165830 376832113 /nfs/dbraw/zinc/83/21/13/376832113.db2.gz IMWQMTOGHJEVER-UHFFFAOYSA-N 1 2 273.344 0.612 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)C(F)(F)F)nn1 ZINC000641211952 376890618 /nfs/dbraw/zinc/89/06/18/376890618.db2.gz UCJGVWDIIYRELP-SECBINFHSA-N 1 2 262.235 0.314 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CCOCC)nn1 ZINC000641227051 376923402 /nfs/dbraw/zinc/92/34/02/376923402.db2.gz OROLFLAZXLZEPD-ZDUSSCGKSA-N 1 2 266.345 0.179 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000313637194 249000120 /nfs/dbraw/zinc/00/01/20/249000120.db2.gz MAMHHEOATCRASM-OAHLLOKOSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000313637194 249000122 /nfs/dbraw/zinc/00/01/22/249000122.db2.gz MAMHHEOATCRASM-OAHLLOKOSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+](CCO)CCOCCO ZINC000459784151 249060622 /nfs/dbraw/zinc/06/06/22/249060622.db2.gz JAXHHRIVJBOZQS-UHFFFAOYSA-N 1 2 282.315 0.501 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+](CCO)CCOCCO ZINC000459784151 249060624 /nfs/dbraw/zinc/06/06/24/249060624.db2.gz JAXHHRIVJBOZQS-UHFFFAOYSA-N 1 2 282.315 0.501 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000129175183 284764932 /nfs/dbraw/zinc/76/49/32/284764932.db2.gz ZESGHUHJVUAEHZ-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO C[N@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289390859 197324427 /nfs/dbraw/zinc/32/44/27/197324427.db2.gz KACCRQCBNQUANH-UHFFFAOYSA-N 1 2 283.353 0.041 20 30 CCEDLO C[N@@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289390859 197324429 /nfs/dbraw/zinc/32/44/29/197324429.db2.gz KACCRQCBNQUANH-UHFFFAOYSA-N 1 2 283.353 0.041 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)nn1 ZINC000657433213 412990039 /nfs/dbraw/zinc/99/00/39/412990039.db2.gz YGRKQXIXFWOXJZ-ZDUSSCGKSA-N 1 2 298.412 0.911 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000332484772 260012273 /nfs/dbraw/zinc/01/22/73/260012273.db2.gz PFHHOXPOSFIHRH-GHMZBOCLSA-N 1 2 268.361 0.948 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000332484772 260012274 /nfs/dbraw/zinc/01/22/74/260012274.db2.gz PFHHOXPOSFIHRH-GHMZBOCLSA-N 1 2 268.361 0.948 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283995177 388772632 /nfs/dbraw/zinc/77/26/32/388772632.db2.gz OTROWCIBTHMLJW-UHFFFAOYSA-N 1 2 286.335 0.985 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000184441998 388774550 /nfs/dbraw/zinc/77/45/50/388774550.db2.gz AAKQPJFHBNTMTH-LBPRGKRZSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286616536 388843907 /nfs/dbraw/zinc/84/39/07/388843907.db2.gz QTBBKDWRXQWKPB-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000289271638 388867899 /nfs/dbraw/zinc/86/78/99/388867899.db2.gz WYVPILMPMQGTAG-KBPBESRZSA-N 1 2 276.380 0.875 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000290307247 388903297 /nfs/dbraw/zinc/90/32/97/388903297.db2.gz ALWDYYSYNINLCW-IUODEOHRSA-N 1 2 292.383 0.562 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188308917 388923647 /nfs/dbraw/zinc/92/36/47/388923647.db2.gz CZCQLQISXMYPIP-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000066539670 388945520 /nfs/dbraw/zinc/94/55/20/388945520.db2.gz JPXQXXCWXLJCNX-JTQLQIEISA-N 1 2 282.344 0.225 20 30 CCEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000066539670 388945524 /nfs/dbraw/zinc/94/55/24/388945524.db2.gz JPXQXXCWXLJCNX-JTQLQIEISA-N 1 2 282.344 0.225 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000076185572 388986245 /nfs/dbraw/zinc/98/62/45/388986245.db2.gz UHIWBKYGKNKFQF-CYBMUJFWSA-N 1 2 278.352 0.259 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C/C)CC)CC1 ZINC000190306154 388988609 /nfs/dbraw/zinc/98/86/09/388988609.db2.gz VAVHZWDAZBEYCF-LHHJGKSTSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C/C)CC)CC1 ZINC000190306154 388988613 /nfs/dbraw/zinc/98/86/13/388988613.db2.gz VAVHZWDAZBEYCF-LHHJGKSTSA-N 1 2 291.395 0.626 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(CCCn2cc[nH+]c2)c1 ZINC000298529809 389028556 /nfs/dbraw/zinc/02/85/56/389028556.db2.gz ZSEUCDVLLYDTFC-UHFFFAOYSA-N 1 2 286.291 0.793 20 30 CCEDLO CC#CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354364259 389022156 /nfs/dbraw/zinc/02/21/56/389022156.db2.gz DFKKVIAQKSXOGS-LBPRGKRZSA-N 1 2 275.356 0.821 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(COC)nc3ncnn32)CC1 ZINC000301098775 389046488 /nfs/dbraw/zinc/04/64/88/389046488.db2.gz XEXCBHQNGJKUPX-UHFFFAOYSA-N 1 2 286.339 0.026 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000337203150 389054534 /nfs/dbraw/zinc/05/45/34/389054534.db2.gz GBVIGHVFHWKJCC-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000337203150 389054539 /nfs/dbraw/zinc/05/45/39/389054539.db2.gz GBVIGHVFHWKJCC-STQMWFEESA-N 1 2 281.400 0.866 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000338121561 389076117 /nfs/dbraw/zinc/07/61/17/389076117.db2.gz WQRUPEQNBUKNRC-ZDUSSCGKSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000338121561 389076121 /nfs/dbraw/zinc/07/61/21/389076121.db2.gz WQRUPEQNBUKNRC-ZDUSSCGKSA-N 1 2 273.336 0.927 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302702952 389076400 /nfs/dbraw/zinc/07/64/00/389076400.db2.gz IVPWQKWOSGUDMD-UHFFFAOYSA-N 1 2 273.340 0.130 20 30 CCEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000305080567 389084055 /nfs/dbraw/zinc/08/40/55/389084055.db2.gz MFXJMGQPHPVXDF-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO N#C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CCO1 ZINC000106044400 389089686 /nfs/dbraw/zinc/08/96/86/389089686.db2.gz UPEBKSVRYPJKCP-GFCCVEGCSA-N 1 2 291.376 0.857 20 30 CCEDLO N#C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CCO1 ZINC000106044400 389089688 /nfs/dbraw/zinc/08/96/88/389089688.db2.gz UPEBKSVRYPJKCP-GFCCVEGCSA-N 1 2 291.376 0.857 20 30 CCEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(=O)OC ZINC000298627310 389035563 /nfs/dbraw/zinc/03/55/63/389035563.db2.gz VLVURUDUNUVDAS-CYBMUJFWSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(=O)OC ZINC000298627310 389035568 /nfs/dbraw/zinc/03/55/68/389035568.db2.gz VLVURUDUNUVDAS-CYBMUJFWSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CC[NH+](CC#C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000299366593 389041143 /nfs/dbraw/zinc/04/11/43/389041143.db2.gz RPKOJDZWNZZETL-ZDUSSCGKSA-N 1 2 270.336 0.402 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC1CC1 ZINC000328908172 389145104 /nfs/dbraw/zinc/14/51/04/389145104.db2.gz LZQFQDQDARNZQH-QMMMGPOBSA-N 1 2 252.274 0.182 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC1CC1 ZINC000328908172 389145107 /nfs/dbraw/zinc/14/51/07/389145107.db2.gz LZQFQDQDARNZQH-QMMMGPOBSA-N 1 2 252.274 0.182 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCOCC2)cs1 ZINC000121054660 389146500 /nfs/dbraw/zinc/14/65/00/389146500.db2.gz YZDUNGDEFJXPLY-UHFFFAOYSA-N 1 2 298.368 0.142 20 30 CCEDLO C=CC[N@@H+](CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000121162844 389146642 /nfs/dbraw/zinc/14/66/42/389146642.db2.gz PNKCCGPJWOXDRM-LBPRGKRZSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@H+](CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000121162844 389146646 /nfs/dbraw/zinc/14/66/46/389146646.db2.gz PNKCCGPJWOXDRM-LBPRGKRZSA-N 1 2 274.386 0.188 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCc2ccccc2C1 ZINC000121369517 389148135 /nfs/dbraw/zinc/14/81/35/389148135.db2.gz ZZBHMIZTXGIXFW-UHFFFAOYSA-N 1 2 277.324 0.243 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCn3cc[nH+]c3C2)[nH]n1CCC#N ZINC000328989354 389148314 /nfs/dbraw/zinc/14/83/14/389148314.db2.gz HUIAJFKXYDDCAE-LBPRGKRZSA-N 1 2 298.350 0.925 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000339078010 389124441 /nfs/dbraw/zinc/12/44/41/389124441.db2.gz CNGHFKAEMNYZGA-NEPJUHHUSA-N 1 2 257.330 0.841 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000339078010 389124443 /nfs/dbraw/zinc/12/44/43/389124443.db2.gz CNGHFKAEMNYZGA-NEPJUHHUSA-N 1 2 257.330 0.841 20 30 CCEDLO CN1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1=O ZINC000328611361 389129144 /nfs/dbraw/zinc/12/91/44/389129144.db2.gz OKNWFTYWFSKPDH-WDEREUQCSA-N 1 2 291.355 0.495 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC000356870782 389129674 /nfs/dbraw/zinc/12/96/74/389129674.db2.gz HPBDFMWXHOHDAU-VXGBXAGGSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC000356870782 389129677 /nfs/dbraw/zinc/12/96/77/389129677.db2.gz HPBDFMWXHOHDAU-VXGBXAGGSA-N 1 2 256.346 0.150 20 30 CCEDLO CC(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328672066 389131396 /nfs/dbraw/zinc/13/13/96/389131396.db2.gz HVNMWZUMKKXRMX-LBPRGKRZSA-N 1 2 283.372 0.675 20 30 CCEDLO CC(C)(C(=O)N[C@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000328707470 389132802 /nfs/dbraw/zinc/13/28/02/389132802.db2.gz ZLQUBQHBTXEDFM-SECBINFHSA-N 1 2 255.318 0.783 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357296047 389133043 /nfs/dbraw/zinc/13/30/43/389133043.db2.gz AGQHQTOTNLNHSL-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357296047 389133045 /nfs/dbraw/zinc/13/30/45/389133045.db2.gz AGQHQTOTNLNHSL-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328729047 389134404 /nfs/dbraw/zinc/13/44/04/389134404.db2.gz FFLBIGFLWYLFHD-UWVGGRQHSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328729047 389134405 /nfs/dbraw/zinc/13/44/05/389134405.db2.gz FFLBIGFLWYLFHD-UWVGGRQHSA-N 1 2 293.327 0.046 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000358381124 389149661 /nfs/dbraw/zinc/14/96/61/389149661.db2.gz HIBPLHURKOLHAO-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000358381124 389149662 /nfs/dbraw/zinc/14/96/62/389149662.db2.gz HIBPLHURKOLHAO-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339698753 389137415 /nfs/dbraw/zinc/13/74/15/389137415.db2.gz JDYMJBKNFPXXHU-UHFFFAOYSA-N 1 2 272.308 0.595 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000339756351 389138546 /nfs/dbraw/zinc/13/85/46/389138546.db2.gz BZOSBVTVJACAJB-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000339756351 389138548 /nfs/dbraw/zinc/13/85/48/389138548.db2.gz BZOSBVTVJACAJB-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000328851236 389141448 /nfs/dbraw/zinc/14/14/48/389141448.db2.gz UZZCUVDJIDIWMJ-MCIONIFRSA-N 1 2 296.415 0.303 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000328851236 389141450 /nfs/dbraw/zinc/14/14/50/389141450.db2.gz UZZCUVDJIDIWMJ-MCIONIFRSA-N 1 2 296.415 0.303 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](O)C1CCOCC1 ZINC000329650373 389182400 /nfs/dbraw/zinc/18/24/00/389182400.db2.gz CHCWXSYLTWTMJG-DGCLKSJQSA-N 1 2 296.371 0.563 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC[C@@H](O)C1CCOCC1 ZINC000329650373 389182404 /nfs/dbraw/zinc/18/24/04/389182404.db2.gz CHCWXSYLTWTMJG-DGCLKSJQSA-N 1 2 296.371 0.563 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C[C@@H](O)C1CCOCC1 ZINC000329650373 389182407 /nfs/dbraw/zinc/18/24/07/389182407.db2.gz CHCWXSYLTWTMJG-DGCLKSJQSA-N 1 2 296.371 0.563 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329663601 389184028 /nfs/dbraw/zinc/18/40/28/389184028.db2.gz PFOVXZAEVYWKSP-DLOVCJGASA-N 1 2 264.329 0.537 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329742698 389195230 /nfs/dbraw/zinc/19/52/30/389195230.db2.gz WSJBIPUSJCBQNJ-FRRDWIJNSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329742698 389195232 /nfs/dbraw/zinc/19/52/32/389195232.db2.gz WSJBIPUSJCBQNJ-FRRDWIJNSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329742698 389195238 /nfs/dbraw/zinc/19/52/38/389195238.db2.gz WSJBIPUSJCBQNJ-FRRDWIJNSA-N 1 2 293.371 0.200 20 30 CCEDLO C[C@H](Cn1cccn1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329742698 389195240 /nfs/dbraw/zinc/19/52/40/389195240.db2.gz WSJBIPUSJCBQNJ-FRRDWIJNSA-N 1 2 293.371 0.200 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329804718 389202757 /nfs/dbraw/zinc/20/27/57/389202757.db2.gz MGEKPZMAIJUHTA-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329804718 389202759 /nfs/dbraw/zinc/20/27/59/389202759.db2.gz MGEKPZMAIJUHTA-RYUDHWBXSA-N 1 2 276.340 0.950 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCC1(O)CCC1 ZINC000329318201 389156654 /nfs/dbraw/zinc/15/66/54/389156654.db2.gz DHRQEGBVRMVSAC-UHFFFAOYSA-N 1 2 285.388 0.470 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCOC1 ZINC000329334883 389157470 /nfs/dbraw/zinc/15/74/70/389157470.db2.gz OGNWWNFPRSTWJO-GHMZBOCLSA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(N[C@@H]1CCCOC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329334883 389157472 /nfs/dbraw/zinc/15/74/72/389157472.db2.gz OGNWWNFPRSTWJO-GHMZBOCLSA-N 1 2 264.329 0.881 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000358782469 389159908 /nfs/dbraw/zinc/15/99/08/389159908.db2.gz AXRBKMALXKZESL-GFCCVEGCSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000358782469 389159912 /nfs/dbraw/zinc/15/99/12/389159912.db2.gz AXRBKMALXKZESL-GFCCVEGCSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000358795200 389160200 /nfs/dbraw/zinc/16/02/00/389160200.db2.gz XQMMFSJFIQXEJW-MRVPVSSYSA-N 1 2 292.261 0.792 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329390492 389161505 /nfs/dbraw/zinc/16/15/05/389161505.db2.gz SGBSSNOYQZQLFZ-MJBXVCDLSA-N 1 2 295.383 0.532 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330556651 389241137 /nfs/dbraw/zinc/24/11/37/389241137.db2.gz ZNKCRKLTVKVHJT-NSHDSACASA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330556651 389241140 /nfs/dbraw/zinc/24/11/40/389241140.db2.gz ZNKCRKLTVKVHJT-NSHDSACASA-N 1 2 256.346 0.414 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CCO)CCC2 ZINC000330570781 389242490 /nfs/dbraw/zinc/24/24/90/389242490.db2.gz IQJVSIDOLGVQAQ-NSHDSACASA-N 1 2 266.345 0.907 20 30 CCEDLO CN(C)C(=O)CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330598905 389245097 /nfs/dbraw/zinc/24/50/97/389245097.db2.gz XFJDNMYWXNZFGK-UHFFFAOYSA-N 1 2 293.371 0.912 20 30 CCEDLO CN(C)C(=O)CC[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000330598905 389245100 /nfs/dbraw/zinc/24/51/00/389245100.db2.gz XFJDNMYWXNZFGK-UHFFFAOYSA-N 1 2 293.371 0.912 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248409738 389245408 /nfs/dbraw/zinc/24/54/08/389245408.db2.gz CTVPIXRZVZMIRB-CHWSQXEVSA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248409738 389245410 /nfs/dbraw/zinc/24/54/10/389245410.db2.gz CTVPIXRZVZMIRB-CHWSQXEVSA-N 1 2 295.383 0.022 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000330604628 389245755 /nfs/dbraw/zinc/24/57/55/389245755.db2.gz LMBZLZMUJWSMIY-JTQLQIEISA-N 1 2 280.328 0.599 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000330604628 389245758 /nfs/dbraw/zinc/24/57/58/389245758.db2.gz LMBZLZMUJWSMIY-JTQLQIEISA-N 1 2 280.328 0.599 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248488525 389246034 /nfs/dbraw/zinc/24/60/34/389246034.db2.gz MKINEGCVGZTSQX-CLUVUEOHSA-N 1 2 287.429 0.693 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248488525 389246038 /nfs/dbraw/zinc/24/60/38/389246038.db2.gz MKINEGCVGZTSQX-CLUVUEOHSA-N 1 2 287.429 0.693 20 30 CCEDLO Cc1cnc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000330620482 389247102 /nfs/dbraw/zinc/24/71/02/389247102.db2.gz KLGNQOVLNSYXTE-LLVKDONJSA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1cnc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000330620482 389247106 /nfs/dbraw/zinc/24/71/06/389247106.db2.gz KLGNQOVLNSYXTE-LLVKDONJSA-N 1 2 264.329 0.810 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330627001 389248316 /nfs/dbraw/zinc/24/83/16/389248316.db2.gz WLXHDZAYOPRGMA-AWEZNQCLSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248801372 389249720 /nfs/dbraw/zinc/24/97/20/389249720.db2.gz FZZVRXNRARBNGX-DMDPSCGWSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248801372 389249721 /nfs/dbraw/zinc/24/97/21/389249721.db2.gz FZZVRXNRARBNGX-DMDPSCGWSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135679959 389261140 /nfs/dbraw/zinc/26/11/40/389261140.db2.gz VXZYRNPJVWQAOB-CYBMUJFWSA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135679959 389261144 /nfs/dbraw/zinc/26/11/44/389261144.db2.gz VXZYRNPJVWQAOB-CYBMUJFWSA-N 1 2 269.345 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000343636810 389268327 /nfs/dbraw/zinc/26/83/27/389268327.db2.gz JIIMBBKPDZYPSD-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO COC(=O)c1cc(F)ccc1CO[NH+]=C(N)CCO ZINC000136070658 389264196 /nfs/dbraw/zinc/26/41/96/389264196.db2.gz MLMCKFGGHFDHOZ-UHFFFAOYSA-N 1 2 270.260 0.784 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361421026 389216242 /nfs/dbraw/zinc/21/62/42/389216242.db2.gz QTDKFWPZZBGKGD-NSHDSACASA-N 1 2 289.326 0.698 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361421026 389216244 /nfs/dbraw/zinc/21/62/44/389216244.db2.gz QTDKFWPZZBGKGD-NSHDSACASA-N 1 2 289.326 0.698 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000361522067 389218709 /nfs/dbraw/zinc/21/87/09/389218709.db2.gz MJIVXDMONAQZJX-ZIAGYGMSSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000361522067 389218712 /nfs/dbraw/zinc/21/87/12/389218712.db2.gz MJIVXDMONAQZJX-ZIAGYGMSSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330374106 389222471 /nfs/dbraw/zinc/22/24/71/389222471.db2.gz MLWZWZAXADRQGG-LLVKDONJSA-N 1 2 299.400 0.578 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCn1cc[nH+]c1 ZINC000330377557 389223246 /nfs/dbraw/zinc/22/32/46/389223246.db2.gz QFIVNBLMWORPKT-NSHDSACASA-N 1 2 285.373 0.199 20 30 CCEDLO COC[C@H](O)CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330398419 389224465 /nfs/dbraw/zinc/22/44/65/389224465.db2.gz LZPLJSUTHNWUKM-NWDGAFQWSA-N 1 2 296.371 0.580 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC000330392152 389224538 /nfs/dbraw/zinc/22/45/38/389224538.db2.gz PPWSTCUEJYIPSV-LLVKDONJSA-N 1 2 279.344 0.501 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC000330392152 389224539 /nfs/dbraw/zinc/22/45/39/389224539.db2.gz PPWSTCUEJYIPSV-LLVKDONJSA-N 1 2 279.344 0.501 20 30 CCEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000246192101 389225162 /nfs/dbraw/zinc/22/51/62/389225162.db2.gz NPEMSXBWXBLOMJ-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000246192101 389225165 /nfs/dbraw/zinc/22/51/65/389225165.db2.gz NPEMSXBWXBLOMJ-NEPJUHHUSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000330417076 389226802 /nfs/dbraw/zinc/22/68/02/389226802.db2.gz OJWSOXYIJPUNTM-LBPRGKRZSA-N 1 2 299.400 0.684 20 30 CCEDLO CNC(=O)[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000330422419 389227421 /nfs/dbraw/zinc/22/74/21/389227421.db2.gz HKKPUTFFNNDUAP-VIFPVBQESA-N 1 2 265.317 0.045 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCOCC1 ZINC000330453952 389231045 /nfs/dbraw/zinc/23/10/45/389231045.db2.gz LUJTUKGOGKMFKU-JTQLQIEISA-N 1 2 252.318 0.954 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC1CCOCC1 ZINC000330453952 389231047 /nfs/dbraw/zinc/23/10/47/389231047.db2.gz LUJTUKGOGKMFKU-JTQLQIEISA-N 1 2 252.318 0.954 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C1CCOCC1 ZINC000330453952 389231048 /nfs/dbraw/zinc/23/10/48/389231048.db2.gz LUJTUKGOGKMFKU-JTQLQIEISA-N 1 2 252.318 0.954 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246757658 389231915 /nfs/dbraw/zinc/23/19/15/389231915.db2.gz VWADQQBUNWCGDQ-UONOGXRCSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246757658 389231918 /nfs/dbraw/zinc/23/19/18/389231918.db2.gz VWADQQBUNWCGDQ-UONOGXRCSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(C)cn1 ZINC000330467948 389233065 /nfs/dbraw/zinc/23/30/65/389233065.db2.gz AQPVAPTVIVFGAV-JTQLQIEISA-N 1 2 252.318 0.445 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(C)cn1 ZINC000330467948 389233066 /nfs/dbraw/zinc/23/30/66/389233066.db2.gz AQPVAPTVIVFGAV-JTQLQIEISA-N 1 2 252.318 0.445 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cncc(O)c1 ZINC000330484536 389234674 /nfs/dbraw/zinc/23/46/74/389234674.db2.gz XZINRYVUXPGJEN-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cncc(O)c1 ZINC000330484536 389234677 /nfs/dbraw/zinc/23/46/77/389234677.db2.gz XZINRYVUXPGJEN-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247113883 389235841 /nfs/dbraw/zinc/23/58/41/389235841.db2.gz JDHXAZCYWIDSKH-KGLIPLIRSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247113883 389235845 /nfs/dbraw/zinc/23/58/45/389235845.db2.gz JDHXAZCYWIDSKH-KGLIPLIRSA-N 1 2 292.383 0.583 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330537083 389239224 /nfs/dbraw/zinc/23/92/24/389239224.db2.gz PXUMUFVEAYXBHE-NSHDSACASA-N 1 2 299.371 0.328 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330537083 389239229 /nfs/dbraw/zinc/23/92/29/389239229.db2.gz PXUMUFVEAYXBHE-NSHDSACASA-N 1 2 299.371 0.328 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000155909552 389322414 /nfs/dbraw/zinc/32/24/14/389322414.db2.gz JFVNMFVKJTVKFG-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000155909552 389322418 /nfs/dbraw/zinc/32/24/18/389322418.db2.gz JFVNMFVKJTVKFG-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO N#CC[N@@H+](CCCN1C(=O)CNC1=O)C1CCCC1 ZINC000156593807 389326860 /nfs/dbraw/zinc/32/68/60/389326860.db2.gz STCHYVMSYMOVBD-UHFFFAOYSA-N 1 2 264.329 0.696 20 30 CCEDLO N#CC[N@H+](CCCN1C(=O)CNC1=O)C1CCCC1 ZINC000156593807 389326863 /nfs/dbraw/zinc/32/68/63/389326863.db2.gz STCHYVMSYMOVBD-UHFFFAOYSA-N 1 2 264.329 0.696 20 30 CCEDLO CCO[C@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346504472 389330746 /nfs/dbraw/zinc/33/07/46/389330746.db2.gz HNHZKCWVXSPIFT-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C#N)CC1 ZINC000145649666 389272687 /nfs/dbraw/zinc/27/26/87/389272687.db2.gz YTWVGZJGJRUKOE-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC000153565754 389302970 /nfs/dbraw/zinc/30/29/70/389302970.db2.gz VHDYUIQLWIGEEC-UHFFFAOYSA-N 1 2 295.358 0.534 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC000153565754 389302972 /nfs/dbraw/zinc/30/29/72/389302972.db2.gz VHDYUIQLWIGEEC-UHFFFAOYSA-N 1 2 295.358 0.534 20 30 CCEDLO Cn1nccc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000348365741 389374639 /nfs/dbraw/zinc/37/46/39/389374639.db2.gz PDCFWTWGXLNTPT-UHFFFAOYSA-N 1 2 288.355 0.508 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000348365741 389374646 /nfs/dbraw/zinc/37/46/46/389374646.db2.gz PDCFWTWGXLNTPT-UHFFFAOYSA-N 1 2 288.355 0.508 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000161966988 389412212 /nfs/dbraw/zinc/41/22/12/389412212.db2.gz NRRCXXSSGYKPHF-AWEZNQCLSA-N 1 2 277.372 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC000347015362 389344966 /nfs/dbraw/zinc/34/49/66/389344966.db2.gz NFQLSHDEQBJUNO-MRVPVSSYSA-N 1 2 279.262 0.404 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC000347015362 389344972 /nfs/dbraw/zinc/34/49/72/389344972.db2.gz NFQLSHDEQBJUNO-MRVPVSSYSA-N 1 2 279.262 0.404 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@H]2CC(=O)OC)C1=O ZINC000347451529 389353301 /nfs/dbraw/zinc/35/33/01/389353301.db2.gz OLFKVNNWCKIZGV-VXGBXAGGSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@H]2CC(=O)OC)C1=O ZINC000347451529 389353305 /nfs/dbraw/zinc/35/33/05/389353305.db2.gz OLFKVNNWCKIZGV-VXGBXAGGSA-N 1 2 282.340 0.037 20 30 CCEDLO C[C@H](NC(=O)C(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000170886827 389467738 /nfs/dbraw/zinc/46/77/38/389467738.db2.gz USILVECOUOMTOO-QWRGUYRKSA-N 1 2 253.346 0.762 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373516618 389490059 /nfs/dbraw/zinc/49/00/59/389490059.db2.gz ACHAADQRBLNITP-YPMHNXCESA-N 1 2 250.342 0.768 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373516618 389490063 /nfs/dbraw/zinc/49/00/63/389490063.db2.gz ACHAADQRBLNITP-YPMHNXCESA-N 1 2 250.342 0.768 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccn2C)CC1 ZINC000349769519 389432729 /nfs/dbraw/zinc/43/27/29/389432729.db2.gz ZICFPVCCXJYLMU-UHFFFAOYSA-N 1 2 276.384 0.445 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccn2C)CC1 ZINC000349769519 389432731 /nfs/dbraw/zinc/43/27/31/389432731.db2.gz ZICFPVCCXJYLMU-UHFFFAOYSA-N 1 2 276.384 0.445 20 30 CCEDLO N#CC1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000164851014 389437195 /nfs/dbraw/zinc/43/71/95/389437195.db2.gz GYNCSAOVFUNKSY-UHFFFAOYSA-N 1 2 269.370 0.400 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)CCn1cc[nH+]c1 ZINC000271733461 389444594 /nfs/dbraw/zinc/44/45/94/389444594.db2.gz NSCDYRHPPGDQSS-SNVBAGLBSA-N 1 2 250.327 0.741 20 30 CCEDLO N#Cc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c(F)c1 ZINC000373800514 389517160 /nfs/dbraw/zinc/51/71/60/389517160.db2.gz MJZPUPDVLXPOCK-UHFFFAOYSA-N 1 2 276.315 0.695 20 30 CCEDLO N#Cc1ccc(N2CCC[N@H+](CC(N)=O)CC2)c(F)c1 ZINC000373800514 389517161 /nfs/dbraw/zinc/51/71/61/389517161.db2.gz MJZPUPDVLXPOCK-UHFFFAOYSA-N 1 2 276.315 0.695 20 30 CCEDLO C/N=C1/S[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N1C ZINC000174892261 389533377 /nfs/dbraw/zinc/53/33/77/389533377.db2.gz MTHIIZXAVWDKEY-TWLKNAOBSA-N 1 2 286.401 0.004 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000276787817 389541065 /nfs/dbraw/zinc/54/10/65/389541065.db2.gz RVOMBQQYXNWHKN-NSHDSACASA-N 1 2 260.341 0.949 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000276787817 389541066 /nfs/dbraw/zinc/54/10/66/389541066.db2.gz RVOMBQQYXNWHKN-NSHDSACASA-N 1 2 260.341 0.949 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175617646 389544586 /nfs/dbraw/zinc/54/45/86/389544586.db2.gz XKUSHMXKUMIWFF-UHFFFAOYSA-N 1 2 276.340 0.681 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@]23CCOC3=O)C1=O ZINC000281182339 389609914 /nfs/dbraw/zinc/60/99/14/389609914.db2.gz BAPXHXNVSTXMCJ-BXUZGUMPSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@]23CCOC3=O)C1=O ZINC000281182339 389609915 /nfs/dbraw/zinc/60/99/15/389609915.db2.gz BAPXHXNVSTXMCJ-BXUZGUMPSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCCOC)C1=O ZINC000281375194 389615427 /nfs/dbraw/zinc/61/54/27/389615427.db2.gz ORSWPHAGAZFJES-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCCOC)C1=O ZINC000281375194 389615430 /nfs/dbraw/zinc/61/54/30/389615430.db2.gz ORSWPHAGAZFJES-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(CC)C(=O)C2)C1=O ZINC000281464745 389617487 /nfs/dbraw/zinc/61/74/87/389617487.db2.gz VNNABYDBUBRXGE-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(CC)C(=O)C2)C1=O ZINC000281464745 389617490 /nfs/dbraw/zinc/61/74/90/389617490.db2.gz VNNABYDBUBRXGE-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(C(=O)OC)C2)C1=O ZINC000281964081 389639546 /nfs/dbraw/zinc/63/95/46/389639546.db2.gz KQHXVYUXWVODKC-MFKMUULPSA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](F)(C(=O)OC)C2)C1=O ZINC000281964081 389639549 /nfs/dbraw/zinc/63/95/49/389639549.db2.gz KQHXVYUXWVODKC-MFKMUULPSA-N 1 2 270.304 0.360 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCCC2)C1=O ZINC000282060438 389652087 /nfs/dbraw/zinc/65/20/87/389652087.db2.gz SAYQZNHQZZXAPK-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCCC2)C1=O ZINC000282060438 389652089 /nfs/dbraw/zinc/65/20/89/389652089.db2.gz SAYQZNHQZZXAPK-GFCCVEGCSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2cccnc2)C1=O ZINC000282146021 389658611 /nfs/dbraw/zinc/65/86/11/389658611.db2.gz ZZMFHOKTWIWFPT-AWEZNQCLSA-N 1 2 275.352 0.663 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2cccnc2)C1=O ZINC000282146021 389658615 /nfs/dbraw/zinc/65/86/15/389658615.db2.gz ZZMFHOKTWIWFPT-AWEZNQCLSA-N 1 2 275.352 0.663 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@]1(C#N)CC1(C)C ZINC000427886166 389683723 /nfs/dbraw/zinc/68/37/23/389683723.db2.gz OIMJSIBIVVMMNH-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@]1(C#N)CC1(C)C ZINC000427886166 389683726 /nfs/dbraw/zinc/68/37/26/389683726.db2.gz OIMJSIBIVVMMNH-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429577681 389761258 /nfs/dbraw/zinc/76/12/58/389761258.db2.gz QHFCNDOKZLSNEZ-VGTOOOLASA-N 1 2 258.387 0.520 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429577681 389761261 /nfs/dbraw/zinc/76/12/61/389761261.db2.gz QHFCNDOKZLSNEZ-VGTOOOLASA-N 1 2 258.387 0.520 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399921015 389794694 /nfs/dbraw/zinc/79/46/94/389794694.db2.gz LIBHIVCRAOBGLV-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399921015 389794695 /nfs/dbraw/zinc/79/46/95/389794695.db2.gz LIBHIVCRAOBGLV-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000183189922 389727352 /nfs/dbraw/zinc/72/73/52/389727352.db2.gz CBVSBARFIBJNGJ-NSHDSACASA-N 1 2 277.324 0.690 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)C#N ZINC000376188371 389730783 /nfs/dbraw/zinc/73/07/83/389730783.db2.gz PQCSKQPYEWOQPQ-RYUDHWBXSA-N 1 2 265.357 0.858 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000352453073 389813236 /nfs/dbraw/zinc/81/32/36/389813236.db2.gz KFLGXMHEHAYALB-GFCCVEGCSA-N 1 2 259.313 0.358 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408144377 389829032 /nfs/dbraw/zinc/82/90/32/389829032.db2.gz JSQJZTOJEYURTF-GWCFXTLKSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408144377 389829034 /nfs/dbraw/zinc/82/90/34/389829034.db2.gz JSQJZTOJEYURTF-GWCFXTLKSA-N 1 2 284.319 0.855 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000354042990 389858102 /nfs/dbraw/zinc/85/81/02/389858102.db2.gz UONAQUABNXIJGD-NSHDSACASA-N 1 2 293.346 0.428 20 30 CCEDLO CCN(CC#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354071301 389859014 /nfs/dbraw/zinc/85/90/14/389859014.db2.gz JKDXHEQSBMYKBN-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO Cn1cc(S(=O)(=O)NCC[N@H+](C)CC(C)(C)C#N)cn1 ZINC000433309993 389908118 /nfs/dbraw/zinc/90/81/18/389908118.db2.gz GAVASQOMRKWWSX-UHFFFAOYSA-N 1 2 299.400 0.180 20 30 CCEDLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000433309993 389908119 /nfs/dbraw/zinc/90/81/19/389908119.db2.gz GAVASQOMRKWWSX-UHFFFAOYSA-N 1 2 299.400 0.180 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433313833 389908225 /nfs/dbraw/zinc/90/82/25/389908225.db2.gz SBZHTIUIYRNMGX-UHFFFAOYSA-N 1 2 252.318 0.480 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433313833 389908226 /nfs/dbraw/zinc/90/82/26/389908226.db2.gz SBZHTIUIYRNMGX-UHFFFAOYSA-N 1 2 252.318 0.480 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451443358 390002120 /nfs/dbraw/zinc/00/21/20/390002120.db2.gz YUWIBEFLYQRTNN-STQMWFEESA-N 1 2 289.326 0.743 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451443358 390002124 /nfs/dbraw/zinc/00/21/24/390002124.db2.gz YUWIBEFLYQRTNN-STQMWFEESA-N 1 2 289.326 0.743 20 30 CCEDLO N#CCN1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492858684 390118637 /nfs/dbraw/zinc/11/86/37/390118637.db2.gz FUFVLIWHDZOBKR-UPHRSURJSA-N 1 2 273.340 0.775 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C#N ZINC000488236278 390092210 /nfs/dbraw/zinc/09/22/10/390092210.db2.gz WXZFZMULTYNODW-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C#N ZINC000488236278 390092211 /nfs/dbraw/zinc/09/22/11/390092211.db2.gz WXZFZMULTYNODW-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489849713 390102373 /nfs/dbraw/zinc/10/23/73/390102373.db2.gz VMSXQCWMCNPBNJ-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCCN(O)C1=O ZINC000493868121 390130836 /nfs/dbraw/zinc/13/08/36/390130836.db2.gz ICRQBEOUNCJOND-BRAIEQGRSA-N 1 2 278.312 0.413 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494222654 390159386 /nfs/dbraw/zinc/15/93/86/390159386.db2.gz HITBKXSVUNIOEU-CQSZACIVSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCN(CCOC)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494222654 390159389 /nfs/dbraw/zinc/15/93/89/390159389.db2.gz HITBKXSVUNIOEU-CQSZACIVSA-N 1 2 297.399 0.694 20 30 CCEDLO COC(=O)[C@@H]1CN(C[NH+]2CCC(C)(C#N)CC2)C(=O)O1 ZINC000496335521 390342507 /nfs/dbraw/zinc/34/25/07/390342507.db2.gz AFXUPHKCCWMGEL-JTQLQIEISA-N 1 2 281.312 0.563 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000645529592 390441885 /nfs/dbraw/zinc/44/18/85/390441885.db2.gz KCVPMLXNULJGAS-UTUOFQBUSA-N 1 2 276.340 0.962 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000648835129 390418650 /nfs/dbraw/zinc/41/86/50/390418650.db2.gz DRARIYCXPNNHOM-VIFPVBQESA-N 1 2 272.312 0.475 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000648835129 390418654 /nfs/dbraw/zinc/41/86/54/390418654.db2.gz DRARIYCXPNNHOM-VIFPVBQESA-N 1 2 272.312 0.475 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000645453836 390429703 /nfs/dbraw/zinc/42/97/03/390429703.db2.gz SXJFRSBHWGDBOU-RYUDHWBXSA-N 1 2 276.340 0.271 20 30 CCEDLO C=CCn1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000648713275 390393679 /nfs/dbraw/zinc/39/36/79/390393679.db2.gz RWEIWOLBABZTML-UHFFFAOYSA-N 1 2 260.301 0.481 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000645529590 390441328 /nfs/dbraw/zinc/44/13/28/390441328.db2.gz KCVPMLXNULJGAS-QJPTWQEYSA-N 1 2 276.340 0.962 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C#N)CCO1 ZINC000562366885 390488254 /nfs/dbraw/zinc/48/82/54/390488254.db2.gz PIZHQDMKSJZDKU-VXGBXAGGSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C#N)CCO1 ZINC000562366885 390488257 /nfs/dbraw/zinc/48/82/57/390488257.db2.gz PIZHQDMKSJZDKU-VXGBXAGGSA-N 1 2 268.361 0.556 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC000562996267 390491952 /nfs/dbraw/zinc/49/19/52/390491952.db2.gz YMXZWPDOROIROD-LLVKDONJSA-N 1 2 286.339 0.924 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)nn1 ZINC000562996267 390491956 /nfs/dbraw/zinc/49/19/56/390491956.db2.gz YMXZWPDOROIROD-LLVKDONJSA-N 1 2 286.339 0.924 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1=O ZINC000645936725 390535703 /nfs/dbraw/zinc/53/57/03/390535703.db2.gz VGIQNHNZUFSGEH-NWDGAFQWSA-N 1 2 285.338 0.799 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1=O ZINC000645936725 390535706 /nfs/dbraw/zinc/53/57/06/390535706.db2.gz VGIQNHNZUFSGEH-NWDGAFQWSA-N 1 2 285.338 0.799 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C#N ZINC000566061572 390570807 /nfs/dbraw/zinc/57/08/07/390570807.db2.gz IZNUIRRVOGACIX-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C#N ZINC000566061572 390570811 /nfs/dbraw/zinc/57/08/11/390570811.db2.gz IZNUIRRVOGACIX-NEPJUHHUSA-N 1 2 253.346 0.763 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CCC1 ZINC000526303780 390681192 /nfs/dbraw/zinc/68/11/92/390681192.db2.gz VWSGRRZFXQKELD-LBPRGKRZSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@H]2C2CC2)CCC1 ZINC000526303780 390681198 /nfs/dbraw/zinc/68/11/98/390681198.db2.gz VWSGRRZFXQKELD-LBPRGKRZSA-N 1 2 263.341 0.660 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000646589198 390698216 /nfs/dbraw/zinc/69/82/16/390698216.db2.gz NWGLEPRTJIXYME-HNNXBMFYSA-N 1 2 290.363 0.682 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](COCC)C2)C1=O ZINC000528732104 390772373 /nfs/dbraw/zinc/77/23/73/390772373.db2.gz NNUKDRMWVTZVBM-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](COCC)C2)C1=O ZINC000528732104 390772376 /nfs/dbraw/zinc/77/23/76/390772376.db2.gz NNUKDRMWVTZVBM-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CCC1 ZINC000530342878 390876392 /nfs/dbraw/zinc/87/63/92/390876392.db2.gz WUDGYCJKWQAIGU-DMDPSCGWSA-N 1 2 290.367 0.135 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CCC1 ZINC000530342878 390876393 /nfs/dbraw/zinc/87/63/93/390876393.db2.gz WUDGYCJKWQAIGU-DMDPSCGWSA-N 1 2 290.367 0.135 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000341740171 130013431 /nfs/dbraw/zinc/01/34/31/130013431.db2.gz CQJASORGBAUTOC-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191172643 130195330 /nfs/dbraw/zinc/19/53/30/130195330.db2.gz NXANKIVLIQWGLZ-LBPRGKRZSA-N 1 2 281.381 0.906 20 30 CCEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191172643 130195332 /nfs/dbraw/zinc/19/53/32/130195332.db2.gz NXANKIVLIQWGLZ-LBPRGKRZSA-N 1 2 281.381 0.906 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1C#N ZINC000191436997 130236381 /nfs/dbraw/zinc/23/63/81/130236381.db2.gz ISMYTOUXNUAIMC-LBPRGKRZSA-N 1 2 259.313 0.106 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1C#N ZINC000191436997 130236384 /nfs/dbraw/zinc/23/63/84/130236384.db2.gz ISMYTOUXNUAIMC-LBPRGKRZSA-N 1 2 259.313 0.106 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(CCn2cc[nH+]c2)c1 ZINC000342202285 130379093 /nfs/dbraw/zinc/37/90/93/130379093.db2.gz DCJKTQWODMSQHD-UHFFFAOYSA-N 1 2 272.264 0.403 20 30 CCEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c1 ZINC000231028730 130911901 /nfs/dbraw/zinc/91/19/01/130911901.db2.gz KPDPNMFVVRMPAI-LLVKDONJSA-N 1 2 270.296 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000263741333 131320150 /nfs/dbraw/zinc/32/01/50/131320150.db2.gz DZLWSCXNIDCDOO-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000263741333 131320151 /nfs/dbraw/zinc/32/01/51/131320151.db2.gz DZLWSCXNIDCDOO-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C=CC[N@@H+](CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000268685636 132049391 /nfs/dbraw/zinc/04/93/91/132049391.db2.gz PTMDOGZGGLEVKC-LBPRGKRZSA-N 1 2 299.396 0.986 20 30 CCEDLO C=CC[N@H+](CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000268685636 132049393 /nfs/dbraw/zinc/04/93/93/132049393.db2.gz PTMDOGZGGLEVKC-LBPRGKRZSA-N 1 2 299.396 0.986 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000352490525 397466348 /nfs/dbraw/zinc/46/63/48/397466348.db2.gz JQOJDOGKWGQOTF-NSHDSACASA-N 1 2 269.320 0.609 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000357390269 144087880 /nfs/dbraw/zinc/08/78/80/144087880.db2.gz JHYNIDCGVPJTRE-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000357390269 144087881 /nfs/dbraw/zinc/08/78/81/144087881.db2.gz JHYNIDCGVPJTRE-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cnccc2C#N)CC[N@@H+]1CCO ZINC000359003123 144189405 /nfs/dbraw/zinc/18/94/05/144189405.db2.gz PIJWAQJUARHMRU-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cnccc2C#N)CC[N@H+]1CCO ZINC000359003123 144189406 /nfs/dbraw/zinc/18/94/06/144189406.db2.gz PIJWAQJUARHMRU-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C[C@@H]1C[N@@H+](CCn2c(N)nc(C#N)c2C#N)C[C@H](C)O1 ZINC000571938586 397580105 /nfs/dbraw/zinc/58/01/05/397580105.db2.gz CKYFWFHZAKHCLA-AOOOYVTPSA-N 1 2 274.328 0.148 20 30 CCEDLO C[C@@H]1C[N@H+](CCn2c(N)nc(C#N)c2C#N)C[C@H](C)O1 ZINC000571938586 397580109 /nfs/dbraw/zinc/58/01/09/397580109.db2.gz CKYFWFHZAKHCLA-AOOOYVTPSA-N 1 2 274.328 0.148 20 30 CCEDLO N#Cc1cnccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000547360960 285934765 /nfs/dbraw/zinc/93/47/65/285934765.db2.gz PNNXOANWQPGKKJ-UHFFFAOYSA-N 1 2 299.378 0.698 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(OCCO)CC2)nn1 ZINC000653592495 412321989 /nfs/dbraw/zinc/32/19/89/412321989.db2.gz BFSWMZRHKXETSN-UHFFFAOYSA-N 1 2 280.372 0.828 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000653757961 412343887 /nfs/dbraw/zinc/34/38/87/412343887.db2.gz KHZPJHTXDVNTED-MRVPVSSYSA-N 1 2 293.327 0.016 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1COC[C@H]1O ZINC000285435538 196283641 /nfs/dbraw/zinc/28/36/41/196283641.db2.gz FMDNDQRISIMZSY-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1COC[C@H]1O ZINC000285435538 196283642 /nfs/dbraw/zinc/28/36/42/196283642.db2.gz FMDNDQRISIMZSY-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2coc(C)n2)CC1 ZINC000659809919 413882467 /nfs/dbraw/zinc/88/24/67/413882467.db2.gz JNVPLEMOSIDGIJ-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO C=CC[N@@H+](C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000660071186 414087859 /nfs/dbraw/zinc/08/78/59/414087859.db2.gz XDHSVQKCNOVHEW-VXGBXAGGSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CC[N@H+](C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000660071186 414087868 /nfs/dbraw/zinc/08/78/68/414087868.db2.gz XDHSVQKCNOVHEW-VXGBXAGGSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000661338933 414601721 /nfs/dbraw/zinc/60/17/21/414601721.db2.gz ZRDZKANNYYQKPZ-JTQLQIEISA-N 1 2 289.343 0.758 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663326630 415044517 /nfs/dbraw/zinc/04/45/17/415044517.db2.gz CWERPTDONKCIKC-VHSXEESVSA-N 1 2 278.312 0.604 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664604709 415432355 /nfs/dbraw/zinc/43/23/55/415432355.db2.gz HQTQAXAQRIVVLK-LLVKDONJSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664604709 415432362 /nfs/dbraw/zinc/43/23/62/415432362.db2.gz HQTQAXAQRIVVLK-LLVKDONJSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCn1cc[nH+]c1 ZINC000665106370 415535908 /nfs/dbraw/zinc/53/59/08/415535908.db2.gz NTTZWNCQYROSFV-CYBMUJFWSA-N 1 2 278.356 0.860 20 30 CCEDLO Cn1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)n1 ZINC000329065138 227278688 /nfs/dbraw/zinc/27/86/88/227278688.db2.gz VYGRCQDVIHWLQQ-UHFFFAOYSA-N 1 2 260.301 0.546 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000329206634 227352854 /nfs/dbraw/zinc/35/28/54/227352854.db2.gz DWXANPMRAGAFNH-NWDGAFQWSA-N 1 2 271.361 0.247 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000352198655 228196244 /nfs/dbraw/zinc/19/62/44/228196244.db2.gz YHOFJQBFACAVJJ-UHFFFAOYSA-N 1 2 282.303 0.973 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCOC1 ZINC000329407299 545022836 /nfs/dbraw/zinc/02/28/36/545022836.db2.gz CFIFLTXBOKYRCJ-HIFRSBDPSA-N 1 2 298.431 0.695 20 30 CCEDLO CCC[C@]1(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCOC1 ZINC000329407299 545022837 /nfs/dbraw/zinc/02/28/37/545022837.db2.gz CFIFLTXBOKYRCJ-HIFRSBDPSA-N 1 2 298.431 0.695 20 30 CCEDLO C=CC[C@H](CC)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000341461550 545055561 /nfs/dbraw/zinc/05/55/61/545055561.db2.gz MGOSOUUFBQSOHR-AWEZNQCLSA-N 1 2 299.415 0.677 20 30 CCEDLO N#Cc1ccc(N[C@@H](CO)C[NH+]2CCOCC2)nc1 ZINC000601177719 420492948 /nfs/dbraw/zinc/49/29/48/420492948.db2.gz ZOPAXUJCNMESDS-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C#N)(COC)CC1 ZINC000357098667 260126665 /nfs/dbraw/zinc/12/66/65/260126665.db2.gz CWOIBJOLRXFSKI-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C#N)(COC)CC1 ZINC000357098667 260126666 /nfs/dbraw/zinc/12/66/66/260126666.db2.gz CWOIBJOLRXFSKI-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[C@@H](C(=O)N1CCO[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000408000198 260166103 /nfs/dbraw/zinc/16/61/03/260166103.db2.gz ZYNXENZLOKLVCJ-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@@H](C(=O)N1CCO[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000408000198 260166104 /nfs/dbraw/zinc/16/61/04/260166104.db2.gz ZYNXENZLOKLVCJ-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(C#N)CCCC1 ZINC000408002369 260168948 /nfs/dbraw/zinc/16/89/48/260168948.db2.gz SZTOMONVEXGDCK-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000088595736 260233819 /nfs/dbraw/zinc/23/38/19/260233819.db2.gz CPVPAHHZECCWGW-CYBMUJFWSA-N 1 2 264.373 0.529 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000408113561 260239376 /nfs/dbraw/zinc/23/93/76/260239376.db2.gz XBEIDGIYLJEJIS-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000408113561 260239378 /nfs/dbraw/zinc/23/93/78/260239378.db2.gz XBEIDGIYLJEJIS-SNVBAGLBSA-N 1 2 257.359 0.304 20 30 CCEDLO COCC[N@H+](CCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000161620030 261099937 /nfs/dbraw/zinc/09/99/37/261099937.db2.gz MBVPVVXSWMCANJ-LLVKDONJSA-N 1 2 260.359 0.426 20 30 CCEDLO COCC[N@@H+](CCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000161620030 261099938 /nfs/dbraw/zinc/09/99/38/261099938.db2.gz MBVPVVXSWMCANJ-LLVKDONJSA-N 1 2 260.359 0.426 20 30 CCEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158151940 261159972 /nfs/dbraw/zinc/15/99/72/261159972.db2.gz LEPKPKVBYVCQSK-UHFFFAOYSA-N 1 2 277.324 0.785 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248960212 261224146 /nfs/dbraw/zinc/22/41/46/261224146.db2.gz GIAKAXLXVZXDLM-RDBSUJKOSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248960212 261224148 /nfs/dbraw/zinc/22/41/48/261224148.db2.gz GIAKAXLXVZXDLM-RDBSUJKOSA-N 1 2 284.400 0.881 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)nc1 ZINC000528374014 269834370 /nfs/dbraw/zinc/83/43/70/269834370.db2.gz UBDBAZSKVKMMSH-UHFFFAOYSA-N 1 2 288.351 0.286 20 30 CCEDLO NC(=[NH+]O[C@@H]1CCNC1=O)c1ccc2c(c1)CCO2 ZINC000178976965 261763633 /nfs/dbraw/zinc/76/36/33/261763633.db2.gz DHUJZCURXMRPJU-LLVKDONJSA-N 1 2 261.281 0.147 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCC2OCCO2)cs1 ZINC000191991296 262197381 /nfs/dbraw/zinc/19/73/81/262197381.db2.gz AVDQYWTUGAWLFX-UHFFFAOYSA-N 1 2 257.315 0.656 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000364941883 262265283 /nfs/dbraw/zinc/26/52/83/262265283.db2.gz QABUZVAZNRQLSG-UHFFFAOYSA-N 1 2 265.357 0.056 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000364941883 262265284 /nfs/dbraw/zinc/26/52/84/262265284.db2.gz QABUZVAZNRQLSG-UHFFFAOYSA-N 1 2 265.357 0.056 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186342830 262313847 /nfs/dbraw/zinc/31/38/47/262313847.db2.gz MBWVRVYBSWVDAH-AWEZNQCLSA-N 1 2 281.356 0.776 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186342830 262313848 /nfs/dbraw/zinc/31/38/48/262313848.db2.gz MBWVRVYBSWVDAH-AWEZNQCLSA-N 1 2 281.356 0.776 20 30 CCEDLO N#CCSCCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336694390 262380863 /nfs/dbraw/zinc/38/08/63/262380863.db2.gz JDXHILJTDNRFNV-UHFFFAOYSA-N 1 2 253.371 0.940 20 30 CCEDLO N#CCSCCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336694390 262380864 /nfs/dbraw/zinc/38/08/64/262380864.db2.gz JDXHILJTDNRFNV-UHFFFAOYSA-N 1 2 253.371 0.940 20 30 CCEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CC#N ZINC000279635004 263056348 /nfs/dbraw/zinc/05/63/48/263056348.db2.gz PUIBHFDGYLJSCR-STQMWFEESA-N 1 2 293.346 0.705 20 30 CCEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CC#N ZINC000279635004 263056349 /nfs/dbraw/zinc/05/63/49/263056349.db2.gz PUIBHFDGYLJSCR-STQMWFEESA-N 1 2 293.346 0.705 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325697 263068035 /nfs/dbraw/zinc/06/80/35/263068035.db2.gz LOCCBMZRMYZXPS-QWHCGFSZSA-N 1 2 292.383 0.466 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C1=O ZINC000281325697 263068036 /nfs/dbraw/zinc/06/80/36/263068036.db2.gz LOCCBMZRMYZXPS-QWHCGFSZSA-N 1 2 292.383 0.466 20 30 CCEDLO NC(COc1cccc(F)c1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000282135136 263074379 /nfs/dbraw/zinc/07/43/79/263074379.db2.gz AIZKHNFXRHLPFY-SNVBAGLBSA-N 1 2 283.259 0.602 20 30 CCEDLO CO/N=C/C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000283082529 263081105 /nfs/dbraw/zinc/08/11/05/263081105.db2.gz OEEBJSKQDMLUHU-VGOFMYFVSA-N 1 2 282.369 0.810 20 30 CCEDLO CO/N=C/C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000283082529 263081106 /nfs/dbraw/zinc/08/11/06/263081106.db2.gz OEEBJSKQDMLUHU-VGOFMYFVSA-N 1 2 282.369 0.810 20 30 CCEDLO CO[C@H](CO[NH+]=C(N)CN1CCOCC1)c1ccccc1 ZINC000283224910 263081842 /nfs/dbraw/zinc/08/18/42/263081842.db2.gz BSRMOPITFCFVIA-CQSZACIVSA-N 1 2 293.367 0.995 20 30 CCEDLO CO[C@@H](CO[NH+]=C(N)CN1CCOCC1)c1ccccc1 ZINC000283224907 263081876 /nfs/dbraw/zinc/08/18/76/263081876.db2.gz BSRMOPITFCFVIA-AWEZNQCLSA-N 1 2 293.367 0.995 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000283236847 263082098 /nfs/dbraw/zinc/08/20/98/263082098.db2.gz ZHDMGZWSIWQXMU-LFIBNONCSA-N 1 2 291.351 0.972 20 30 CCEDLO NC(=[NH+]OCc1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000283965554 263085197 /nfs/dbraw/zinc/08/51/97/263085197.db2.gz GGDBRGOLJIICRP-MRVPVSSYSA-N 1 2 252.274 0.915 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285499877 263093556 /nfs/dbraw/zinc/09/35/56/263093556.db2.gz FEHMCALDZOXVMO-UHFFFAOYSA-N 1 2 260.341 0.811 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285499877 263093557 /nfs/dbraw/zinc/09/35/57/263093557.db2.gz FEHMCALDZOXVMO-UHFFFAOYSA-N 1 2 260.341 0.811 20 30 CCEDLO N#CCCOCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000293708482 263147365 /nfs/dbraw/zinc/14/73/65/263147365.db2.gz DLRLNCKZRCONKF-UHFFFAOYSA-N 1 2 282.373 0.173 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370034061 263322172 /nfs/dbraw/zinc/32/21/72/263322172.db2.gz WBZSIJULJYZPBY-NTZNESFSSA-N 1 2 250.342 0.624 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370034061 263322173 /nfs/dbraw/zinc/32/21/73/263322173.db2.gz WBZSIJULJYZPBY-NTZNESFSSA-N 1 2 250.342 0.624 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCCNC1=O ZINC000330435547 263921492 /nfs/dbraw/zinc/92/14/92/263921492.db2.gz OZHUFSNMGHJTEF-NSHDSACASA-N 1 2 291.355 0.430 20 30 CCEDLO COCC(=O)N1CCC(NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000330459557 263941645 /nfs/dbraw/zinc/94/16/45/263941645.db2.gz QHWDACOPBVBFHK-UHFFFAOYSA-N 1 2 280.328 0.660 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@H](C)C#N ZINC000330796229 264040040 /nfs/dbraw/zinc/04/00/40/264040040.db2.gz XJHQXNJTSHLDHS-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)C[C@H](C)C#N ZINC000330796229 264040043 /nfs/dbraw/zinc/04/00/43/264040043.db2.gz XJHQXNJTSHLDHS-IJLUTSLNSA-N 1 2 253.346 0.762 20 30 CCEDLO CCc1nc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)co1 ZINC000330806997 264043295 /nfs/dbraw/zinc/04/32/95/264043295.db2.gz CKLKDERJNXTANC-JTQLQIEISA-N 1 2 283.328 0.235 20 30 CCEDLO CCCNC(=O)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330788543 264053198 /nfs/dbraw/zinc/05/31/98/264053198.db2.gz YUIOZSVCWIVULM-UHFFFAOYSA-N 1 2 265.317 0.139 20 30 CCEDLO C[S@](=O)CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330864579 264057314 /nfs/dbraw/zinc/05/73/14/264057314.db2.gz YGXAYYBFQDXEIS-FQEVSTJZSA-N 1 2 298.412 0.992 20 30 CCEDLO N#CCc1ccc(C[NH+]2CCN(S(N)(=O)=O)CC2)cc1 ZINC000330845382 264066596 /nfs/dbraw/zinc/06/65/96/264066596.db2.gz NPJPYYVVQJZEMA-UHFFFAOYSA-N 1 2 294.380 0.074 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330854843 264069494 /nfs/dbraw/zinc/06/94/94/264069494.db2.gz HOAMJLCLLTXMEO-DZGCQCFKSA-N 1 2 282.384 0.637 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCC(F)(F)CO ZINC000331004989 264105951 /nfs/dbraw/zinc/10/59/51/264105951.db2.gz SCOCCCVLTAXHNX-UHFFFAOYSA-N 1 2 295.330 0.228 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCC(F)(F)CO ZINC000331004989 264105954 /nfs/dbraw/zinc/10/59/54/264105954.db2.gz SCOCCCVLTAXHNX-UHFFFAOYSA-N 1 2 295.330 0.228 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](OCCO)C1 ZINC000331225866 264150692 /nfs/dbraw/zinc/15/06/92/264150692.db2.gz NBGIWUOYSLPSKB-NSHDSACASA-N 1 2 282.344 0.307 20 30 CCEDLO Cc1nc(C)c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)o1 ZINC000331188791 264157063 /nfs/dbraw/zinc/15/70/63/264157063.db2.gz PYUXPHBQXKRCCQ-CQSZACIVSA-N 1 2 297.355 0.679 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000331258956 264183733 /nfs/dbraw/zinc/18/37/33/264183733.db2.gz GQZPTTPRUTWNFY-WDEREUQCSA-N 1 2 287.360 0.162 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000331258956 264183735 /nfs/dbraw/zinc/18/37/35/264183735.db2.gz GQZPTTPRUTWNFY-WDEREUQCSA-N 1 2 287.360 0.162 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331325211 264190512 /nfs/dbraw/zinc/19/05/12/264190512.db2.gz FHLXJCTYWPNFFP-UHFFFAOYSA-N 1 2 281.360 0.799 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331325211 264190513 /nfs/dbraw/zinc/19/05/13/264190513.db2.gz FHLXJCTYWPNFFP-UHFFFAOYSA-N 1 2 281.360 0.799 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000334002888 264232470 /nfs/dbraw/zinc/23/24/70/264232470.db2.gz XBEVMNVDBWCCPZ-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000334002888 264232472 /nfs/dbraw/zinc/23/24/72/264232472.db2.gz XBEVMNVDBWCCPZ-MNOVXSKESA-N 1 2 269.345 0.498 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768865 264243479 /nfs/dbraw/zinc/24/34/79/264243479.db2.gz WZJJRRDITXADSI-CYBMUJFWSA-N 1 2 297.362 0.213 20 30 CCEDLO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N(CCC#N)CCC#N ZINC000077367780 264351837 /nfs/dbraw/zinc/35/18/37/264351837.db2.gz PMTTZJDDRBLRNW-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1=O ZINC000281979970 264491719 /nfs/dbraw/zinc/49/17/19/264491719.db2.gz UYRGWYVTXHTSSC-NSHDSACASA-N 1 2 286.339 0.586 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)CCC1 ZINC000525886798 265033332 /nfs/dbraw/zinc/03/33/32/265033332.db2.gz PTGCZLAATLNBFN-UHFFFAOYSA-N 1 2 293.367 0.430 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCOC3(CCOCC3)C2)CCC1 ZINC000525886798 265033334 /nfs/dbraw/zinc/03/33/34/265033334.db2.gz PTGCZLAATLNBFN-UHFFFAOYSA-N 1 2 293.367 0.430 20 30 CCEDLO N#Cc1cccc(C[NH2+][C@]2(C(N)=O)CCOC2)c1F ZINC000518995808 265287021 /nfs/dbraw/zinc/28/70/21/265287021.db2.gz JTLKFFCEAVFZDW-CYBMUJFWSA-N 1 2 263.272 0.431 20 30 CCEDLO C=CCOC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OC ZINC000357667005 266343931 /nfs/dbraw/zinc/34/39/31/266343931.db2.gz CAXMKDDXOBWBMA-JTQLQIEISA-N 1 2 281.312 0.203 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000357680846 266346038 /nfs/dbraw/zinc/34/60/38/266346038.db2.gz XRCYYUJPXACQST-UONOGXRCSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000357680846 266346039 /nfs/dbraw/zinc/34/60/39/266346039.db2.gz XRCYYUJPXACQST-UONOGXRCSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357800323 266365947 /nfs/dbraw/zinc/36/59/47/266365947.db2.gz LZSKGKMFRDLFAQ-ZDUSSCGKSA-N 1 2 290.367 0.712 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357800323 266365951 /nfs/dbraw/zinc/36/59/51/266365951.db2.gz LZSKGKMFRDLFAQ-ZDUSSCGKSA-N 1 2 290.367 0.712 20 30 CCEDLO C=C(CC)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000358507808 266471362 /nfs/dbraw/zinc/47/13/62/266471362.db2.gz KZIHFHCMCFMDNN-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000361522066 266838388 /nfs/dbraw/zinc/83/83/88/266838388.db2.gz MJIVXDMONAQZJX-UONOGXRCSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000361522066 266838390 /nfs/dbraw/zinc/83/83/90/266838390.db2.gz MJIVXDMONAQZJX-UONOGXRCSA-N 1 2 297.399 0.732 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H]3CCOC3)CC2)C1=O ZINC000369195827 267225043 /nfs/dbraw/zinc/22/50/43/267225043.db2.gz WHKRNCZRRSYIGA-KBPBESRZSA-N 1 2 279.384 0.180 20 30 CCEDLO CCn1ncnc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000520310405 267264364 /nfs/dbraw/zinc/26/43/64/267264364.db2.gz HXIFKQPUHLHGMY-UHFFFAOYSA-N 1 2 288.359 0.370 20 30 CCEDLO CCn1ncnc1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000520310405 267264367 /nfs/dbraw/zinc/26/43/67/267264367.db2.gz HXIFKQPUHLHGMY-UHFFFAOYSA-N 1 2 288.359 0.370 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1=O ZINC000377110968 268048508 /nfs/dbraw/zinc/04/85/08/268048508.db2.gz FNSSGUPOIGSGBP-BFHYXJOUSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1=O ZINC000377110968 268048512 /nfs/dbraw/zinc/04/85/12/268048512.db2.gz FNSSGUPOIGSGBP-BFHYXJOUSA-N 1 2 280.368 0.653 20 30 CCEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCC2)ccc1F ZINC000443723965 268190782 /nfs/dbraw/zinc/19/07/82/268190782.db2.gz YHXKEUJZWSVPEW-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296510225 275382949 /nfs/dbraw/zinc/38/29/49/275382949.db2.gz LZMDDBKJZZERFA-UHFFFAOYSA-N 1 2 271.280 0.617 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000329940148 279154229 /nfs/dbraw/zinc/15/42/29/279154229.db2.gz UGNSBOQZFHVVJU-VXGBXAGGSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000329940148 279154231 /nfs/dbraw/zinc/15/42/31/279154231.db2.gz UGNSBOQZFHVVJU-VXGBXAGGSA-N 1 2 277.328 0.345 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329637197 288336200 /nfs/dbraw/zinc/33/62/00/288336200.db2.gz YNRNMBGOMHFCJR-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO C[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329637197 288336202 /nfs/dbraw/zinc/33/62/02/288336202.db2.gz YNRNMBGOMHFCJR-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000355636941 328859421 /nfs/dbraw/zinc/85/94/21/328859421.db2.gz SFEXVUBCWPDRSE-SECBINFHSA-N 1 2 250.327 0.810 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412068120 328102756 /nfs/dbraw/zinc/10/27/56/328102756.db2.gz HVTSAHKEHIDJFP-BFHYXJOUSA-N 1 2 282.384 0.657 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412068120 328102757 /nfs/dbraw/zinc/10/27/57/328102757.db2.gz HVTSAHKEHIDJFP-BFHYXJOUSA-N 1 2 282.384 0.657 20 30 CCEDLO COC(=O)c1coc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000264700278 328161732 /nfs/dbraw/zinc/16/17/32/328161732.db2.gz JXMRKRCTRAZOSW-UHFFFAOYSA-N 1 2 297.311 0.187 20 30 CCEDLO N#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000265805077 328166791 /nfs/dbraw/zinc/16/67/91/328166791.db2.gz YDNFSLJSAQAYMB-UHFFFAOYSA-N 1 2 296.334 0.549 20 30 CCEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)CCO ZINC000275570510 328215415 /nfs/dbraw/zinc/21/54/15/328215415.db2.gz XLGLOJYKMRGPPE-UHFFFAOYSA-N 1 2 281.312 0.613 20 30 CCEDLO COC(=O)c1cnoc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000285134702 328247458 /nfs/dbraw/zinc/24/74/58/328247458.db2.gz KTPBCGARXIJMMI-MRVPVSSYSA-N 1 2 269.257 0.429 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000562709268 327507029 /nfs/dbraw/zinc/50/70/29/327507029.db2.gz RZZRZDMYWMKEHI-OLZOCXBDSA-N 1 2 280.368 0.559 20 30 CCEDLO Cn1nnc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc21 ZINC000569990234 327560718 /nfs/dbraw/zinc/56/07/18/327560718.db2.gz ISSDPDQVCHUIIC-AWEZNQCLSA-N 1 2 286.339 0.542 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374330570 328991981 /nfs/dbraw/zinc/99/19/81/328991981.db2.gz OJISKXMOOJKIGI-LBPRGKRZSA-N 1 2 261.325 0.776 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000582670266 329122710 /nfs/dbraw/zinc/12/27/10/329122710.db2.gz SWYVEDIWRFCLRA-GWCFXTLKSA-N 1 2 253.346 0.904 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178004161 329191530 /nfs/dbraw/zinc/19/15/30/329191530.db2.gz VVKXGJGFOBHJLO-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178004161 329191532 /nfs/dbraw/zinc/19/15/32/329191532.db2.gz VVKXGJGFOBHJLO-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO CO[C@@H](C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000182210371 329240834 /nfs/dbraw/zinc/24/08/34/329240834.db2.gz RYSZLSFKAGKSAE-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO CO[C@@H](C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000182210371 329240836 /nfs/dbraw/zinc/24/08/36/329240836.db2.gz RYSZLSFKAGKSAE-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO CO[C@@H](C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000182210371 329240838 /nfs/dbraw/zinc/24/08/38/329240838.db2.gz RYSZLSFKAGKSAE-ZDUSSCGKSA-N 1 2 255.362 0.569 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000188709309 329370719 /nfs/dbraw/zinc/37/07/19/329370719.db2.gz BPZLEMXRZOKEDF-AWEZNQCLSA-N 1 2 298.431 0.466 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCC1 ZINC000189649067 329384995 /nfs/dbraw/zinc/38/49/95/329384995.db2.gz FLUCHDMQIVADHS-CYBMUJFWSA-N 1 2 263.385 0.849 20 30 CCEDLO CC1CCC(NC(=O)C[NH+]2CCN(CC#N)CC2)CC1 ZINC000077382247 329925129 /nfs/dbraw/zinc/92/51/29/329925129.db2.gz INYQFXDNRYCLJN-UHFFFAOYSA-N 1 2 278.400 0.822 20 30 CCEDLO N#CCC(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000572175627 329952101 /nfs/dbraw/zinc/95/21/01/329952101.db2.gz PXCLFBKORIFPHD-UHFFFAOYSA-N 1 2 283.335 0.892 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)nn1 ZINC000424290872 330334808 /nfs/dbraw/zinc/33/48/08/330334808.db2.gz CHXQNDQXJXVQLO-STQMWFEESA-N 1 2 298.412 0.910 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424459969 330352259 /nfs/dbraw/zinc/35/22/59/330352259.db2.gz ALIRCWXIAIBZDC-IUCAKERBSA-N 1 2 263.288 0.077 20 30 CCEDLO C#CC[N@@H+](CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866234 330358178 /nfs/dbraw/zinc/35/81/78/330358178.db2.gz DPIZWXYPZIPYRV-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866234 330358179 /nfs/dbraw/zinc/35/81/79/330358179.db2.gz DPIZWXYPZIPYRV-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO CS(=O)(=O)NCC[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450914043 331006861 /nfs/dbraw/zinc/00/68/61/331006861.db2.gz ONCIPYLUYAOKTE-UHFFFAOYSA-N 1 2 271.386 0.694 20 30 CCEDLO CS(=O)(=O)NCC[N@@H+](CC1(C#N)CCC1)C1CC1 ZINC000450914043 331006862 /nfs/dbraw/zinc/00/68/62/331006862.db2.gz ONCIPYLUYAOKTE-UHFFFAOYSA-N 1 2 271.386 0.694 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C#N)C[C@@H]2C)CCO1 ZINC000451239763 331021504 /nfs/dbraw/zinc/02/15/04/331021504.db2.gz GJCGXRWIWJRUCV-OUCADQQQSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C#N)C[C@@H]2C)CCO1 ZINC000451239763 331021505 /nfs/dbraw/zinc/02/15/05/331021505.db2.gz GJCGXRWIWJRUCV-OUCADQQQSA-N 1 2 265.357 0.763 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000451634910 331037533 /nfs/dbraw/zinc/03/75/33/331037533.db2.gz SHCVDXAUPVEUFF-HZSPNIEDSA-N 1 2 284.400 0.929 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000451634910 331037534 /nfs/dbraw/zinc/03/75/34/331037534.db2.gz SHCVDXAUPVEUFF-HZSPNIEDSA-N 1 2 284.400 0.929 20 30 CCEDLO NC(=O)C[C@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000452094256 331053808 /nfs/dbraw/zinc/05/38/08/331053808.db2.gz ZBEOUOYJQQAGQI-AWEZNQCLSA-N 1 2 258.321 0.614 20 30 CCEDLO NC(=O)C[C@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000452094256 331053809 /nfs/dbraw/zinc/05/38/09/331053809.db2.gz ZBEOUOYJQQAGQI-AWEZNQCLSA-N 1 2 258.321 0.614 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000490676400 332102348 /nfs/dbraw/zinc/10/23/48/332102348.db2.gz HPPDJLJOQTXWHS-OAGGEKHMSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000490676400 332102350 /nfs/dbraw/zinc/10/23/50/332102350.db2.gz HPPDJLJOQTXWHS-OAGGEKHMSA-N 1 2 278.396 0.415 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)CC(=O)OC)CC1 ZINC000490761789 332113581 /nfs/dbraw/zinc/11/35/81/332113581.db2.gz WNIYIBAAJAOFER-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C[C@H](C)C#N)C2CC2)CC1 ZINC000490841311 332119590 /nfs/dbraw/zinc/11/95/90/332119590.db2.gz SWDSVJOTHDMQLG-CQSZACIVSA-N 1 2 288.395 0.388 20 30 CCEDLO C#CC[N@@H+](CCC1OCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490853846 332120064 /nfs/dbraw/zinc/12/00/64/332120064.db2.gz VDSUOZCEYHSYFS-LBPRGKRZSA-N 1 2 287.381 0.262 20 30 CCEDLO C#CC[N@H+](CCC1OCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490853846 332120066 /nfs/dbraw/zinc/12/00/66/332120066.db2.gz VDSUOZCEYHSYFS-LBPRGKRZSA-N 1 2 287.381 0.262 20 30 CCEDLO C#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491201427 332164445 /nfs/dbraw/zinc/16/44/45/332164445.db2.gz HSEUWRYWCRGPGC-UHFFFAOYSA-N 1 2 284.319 0.912 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H]1CCCS(=O)(=O)C1 ZINC000491210528 332167040 /nfs/dbraw/zinc/16/70/40/332167040.db2.gz VORWMFUMBVNMIU-CYBMUJFWSA-N 1 2 253.367 0.770 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H]1CCCS(=O)(=O)C1 ZINC000491210528 332167041 /nfs/dbraw/zinc/16/70/41/332167041.db2.gz VORWMFUMBVNMIU-CYBMUJFWSA-N 1 2 253.367 0.770 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000491285619 332181025 /nfs/dbraw/zinc/18/10/25/332181025.db2.gz DKYXJUVVFGOMBB-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000491285619 332181027 /nfs/dbraw/zinc/18/10/27/332181027.db2.gz DKYXJUVVFGOMBB-CHWSQXEVSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2cc[nH+]c(N)c2)n1 ZINC000491392647 332203067 /nfs/dbraw/zinc/20/30/67/332203067.db2.gz CZFOLEHSNCPDRC-UHFFFAOYSA-N 1 2 299.378 0.972 20 30 CCEDLO C#CC[N@@H+](CC1(CC(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491554205 332236532 /nfs/dbraw/zinc/23/65/32/332236532.db2.gz HDZZBHIKAQWFJR-LBPRGKRZSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@H+](CC1(CC(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491554205 332236533 /nfs/dbraw/zinc/23/65/33/332236533.db2.gz HDZZBHIKAQWFJR-LBPRGKRZSA-N 1 2 299.392 0.452 20 30 CCEDLO C#CC[N@@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491641926 332261318 /nfs/dbraw/zinc/26/13/18/332261318.db2.gz UOMJLHXMHFWWKD-VIFPVBQESA-N 1 2 265.313 0.070 20 30 CCEDLO C#CC[N@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491641926 332261320 /nfs/dbraw/zinc/26/13/20/332261320.db2.gz UOMJLHXMHFWWKD-VIFPVBQESA-N 1 2 265.313 0.070 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC000491664980 332273783 /nfs/dbraw/zinc/27/37/83/332273783.db2.gz FXWMIRBAHNGLEB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC000491664980 332273784 /nfs/dbraw/zinc/27/37/84/332273784.db2.gz FXWMIRBAHNGLEB-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CC#N)CC(=O)OC ZINC000492254993 332389481 /nfs/dbraw/zinc/38/94/81/332389481.db2.gz YAJCDCJJEGJZTH-PLNGDYQASA-N 1 2 276.296 0.441 20 30 CCEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528611786 333449331 /nfs/dbraw/zinc/44/93/31/333449331.db2.gz RIIUZRANLGQCLG-UHFFFAOYSA-N 1 2 271.386 0.790 20 30 CCEDLO CCN1CCN(C(=O)NC[C@@H](C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000548019846 334135130 /nfs/dbraw/zinc/13/51/30/334135130.db2.gz IZHKQXXCLSNBNZ-RYUDHWBXSA-N 1 2 290.371 0.958 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000548818353 334175395 /nfs/dbraw/zinc/17/53/95/334175395.db2.gz WEVYIZFOPZVZFA-UHFFFAOYSA-N 1 2 299.400 0.733 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246016398 334228054 /nfs/dbraw/zinc/22/80/54/334228054.db2.gz KWNIUQMYSQCXNL-KOLCDFICSA-N 1 2 295.305 0.896 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246016398 334228055 /nfs/dbraw/zinc/22/80/55/334228055.db2.gz KWNIUQMYSQCXNL-KOLCDFICSA-N 1 2 295.305 0.896 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219266 334242055 /nfs/dbraw/zinc/24/20/55/334242055.db2.gz ZLBCYSMPBLFCFP-VHSXEESVSA-N 1 2 295.305 0.850 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219266 334242056 /nfs/dbraw/zinc/24/20/56/334242056.db2.gz ZLBCYSMPBLFCFP-VHSXEESVSA-N 1 2 295.305 0.850 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248492859 334303983 /nfs/dbraw/zinc/30/39/83/334303983.db2.gz OTUGPKDNGCBGNW-NMLGDKRHSA-N 1 2 285.413 0.494 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248492859 334303984 /nfs/dbraw/zinc/30/39/84/334303984.db2.gz OTUGPKDNGCBGNW-NMLGDKRHSA-N 1 2 285.413 0.494 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CSC)[C@H]1CCS(=O)(=O)C1 ZINC000249456070 334334280 /nfs/dbraw/zinc/33/42/80/334334280.db2.gz NNJPONSHXWPPDU-QWRGUYRKSA-N 1 2 279.427 0.385 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CSC)[C@H]1CCS(=O)(=O)C1 ZINC000249456070 334334281 /nfs/dbraw/zinc/33/42/81/334334281.db2.gz NNJPONSHXWPPDU-QWRGUYRKSA-N 1 2 279.427 0.385 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249550463 334336398 /nfs/dbraw/zinc/33/63/98/334336398.db2.gz HURHRFOSBQMSLR-JMSVASOKSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249550463 334336399 /nfs/dbraw/zinc/33/63/99/334336399.db2.gz HURHRFOSBQMSLR-JMSVASOKSA-N 1 2 294.399 0.627 20 30 CCEDLO C=C(C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000156679932 334747234 /nfs/dbraw/zinc/74/72/34/334747234.db2.gz XYBSBORXRGBCKR-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000157689901 334780998 /nfs/dbraw/zinc/78/09/98/334780998.db2.gz MIXBSXMQYWWNGG-UHFFFAOYSA-N 1 2 292.383 0.349 20 30 CCEDLO CCc1cc(N2CCN(C(=O)CC#N)CC2)nc(C)[nH+]1 ZINC000573105313 334908550 /nfs/dbraw/zinc/90/85/50/334908550.db2.gz AXUGFDOAEHHFGQ-UHFFFAOYSA-N 1 2 273.340 0.910 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000576826238 335252636 /nfs/dbraw/zinc/25/26/36/335252636.db2.gz MSCWLBXMNLYWMO-JTQLQIEISA-N 1 2 296.334 0.978 20 30 CCEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000192807277 335306423 /nfs/dbraw/zinc/30/64/23/335306423.db2.gz CNEKVSLJUHTQIY-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000192807277 335306425 /nfs/dbraw/zinc/30/64/25/335306425.db2.gz CNEKVSLJUHTQIY-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1C#N ZINC000577443955 335352793 /nfs/dbraw/zinc/35/27/93/335352793.db2.gz UAZVTMJZANKTLE-HNNXBMFYSA-N 1 2 286.335 0.897 20 30 CCEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)on1 ZINC000577573035 335371043 /nfs/dbraw/zinc/37/10/43/335371043.db2.gz IFLIYBRAAMUFLM-LLVKDONJSA-N 1 2 252.274 0.257 20 30 CCEDLO CCOC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000385845658 336157994 /nfs/dbraw/zinc/15/79/94/336157994.db2.gz OQESDIYPOLPKAF-UHFFFAOYSA-N 1 2 255.318 0.691 20 30 CCEDLO N#Cc1csc(C[NH2+]C[C@H]2CCCS2(=O)=O)n1 ZINC000386123847 336166570 /nfs/dbraw/zinc/16/65/70/336166570.db2.gz MPLVACPCJPSIQJ-SECBINFHSA-N 1 2 271.367 0.682 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCO1 ZINC000329106889 534490885 /nfs/dbraw/zinc/49/08/85/534490885.db2.gz OWVNCXKEZCTXAA-OLZOCXBDSA-N 1 2 285.388 0.732 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413963772 534674060 /nfs/dbraw/zinc/67/40/60/534674060.db2.gz YCXGMXKJWVCNDJ-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000156950240 523527163 /nfs/dbraw/zinc/52/71/63/523527163.db2.gz BGCOZRPOXALIQU-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000156950240 523527172 /nfs/dbraw/zinc/52/71/72/523527172.db2.gz BGCOZRPOXALIQU-YGRLFVJLSA-N 1 2 289.335 0.641 20 30 CCEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000331611302 534750891 /nfs/dbraw/zinc/75/08/91/534750891.db2.gz FDPYECZMOVJGTN-VXGBXAGGSA-N 1 2 278.356 0.007 20 30 CCEDLO C=C(C)COCCNc1[nH+]cnc2c1OCCN2 ZINC000665706790 545104286 /nfs/dbraw/zinc/10/42/86/545104286.db2.gz BHXOIXSVGIFGJK-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO C=C(C)COCCNc1nc[nH+]c2c1OCCN2 ZINC000665706790 545104287 /nfs/dbraw/zinc/10/42/87/545104287.db2.gz BHXOIXSVGIFGJK-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000666024347 545111448 /nfs/dbraw/zinc/11/14/48/545111448.db2.gz UOEKXAVIRGBNOK-HNNXBMFYSA-N 1 2 291.351 0.471 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352666727 526535300 /nfs/dbraw/zinc/53/53/00/526535300.db2.gz IENWNISFCAUGBC-OLZOCXBDSA-N 1 2 281.400 0.962 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352666727 526535302 /nfs/dbraw/zinc/53/53/02/526535302.db2.gz IENWNISFCAUGBC-OLZOCXBDSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347615080 526703798 /nfs/dbraw/zinc/70/37/98/526703798.db2.gz SLVMYRPTTHEHQA-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347615080 526703807 /nfs/dbraw/zinc/70/38/07/526703807.db2.gz SLVMYRPTTHEHQA-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH+]ccn1C ZINC000668193846 545166754 /nfs/dbraw/zinc/16/67/54/545166754.db2.gz RFANZAOSECBYTF-LLVKDONJSA-N 1 2 264.329 0.507 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000668319356 545172840 /nfs/dbraw/zinc/17/28/40/545172840.db2.gz GLNJUZPMHKBLCZ-WZRBSPASSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CCOCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000672064693 545262153 /nfs/dbraw/zinc/26/21/53/545262153.db2.gz AGHOUGHIZNXWQJ-JTQLQIEISA-N 1 2 264.285 0.075 20 30 CCEDLO C=CCOCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000672064693 545262154 /nfs/dbraw/zinc/26/21/54/545262154.db2.gz AGHOUGHIZNXWQJ-JTQLQIEISA-N 1 2 264.285 0.075 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1 ZINC000352602483 529150373 /nfs/dbraw/zinc/15/03/73/529150373.db2.gz ARUCNVRIUXSOBK-VXGBXAGGSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1 ZINC000352602483 529150374 /nfs/dbraw/zinc/15/03/74/529150374.db2.gz ARUCNVRIUXSOBK-VXGBXAGGSA-N 1 2 288.417 0.491 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1C ZINC000674498653 545307924 /nfs/dbraw/zinc/30/79/24/545307924.db2.gz SKPRZNYFZSXCFL-OKILXGFUSA-N 1 2 292.379 0.901 20 30 CCEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1C ZINC000674498653 545307925 /nfs/dbraw/zinc/30/79/25/545307925.db2.gz SKPRZNYFZSXCFL-OKILXGFUSA-N 1 2 292.379 0.901 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000677480343 545366514 /nfs/dbraw/zinc/36/65/14/545366514.db2.gz WMPCIPWMKJBXNA-LLVKDONJSA-N 1 2 268.386 0.906 20 30 CCEDLO CCN(CC)C(=O)N1CC[NH+](CC#CCOC)CC1 ZINC000677818080 545373346 /nfs/dbraw/zinc/37/33/46/545373346.db2.gz ZAHVCRDWZIPDLX-UHFFFAOYSA-N 1 2 267.373 0.716 20 30 CCEDLO C=CCNC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000679118935 545402324 /nfs/dbraw/zinc/40/23/24/545402324.db2.gz AGPWKHGWXJPELU-UHFFFAOYSA-N 1 2 250.302 0.082 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682038614 545471513 /nfs/dbraw/zinc/47/15/13/545471513.db2.gz SBTJAYWCXVBCBE-LBPRGKRZSA-N 1 2 269.389 0.066 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682038614 545471514 /nfs/dbraw/zinc/47/15/14/545471514.db2.gz SBTJAYWCXVBCBE-LBPRGKRZSA-N 1 2 269.389 0.066 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054041 581206277 /nfs/dbraw/zinc/20/62/77/581206277.db2.gz WPMFXOLBTUNFNO-UHFFFAOYSA-N 1 2 260.297 0.957 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274813 581103219 /nfs/dbraw/zinc/10/32/19/581103219.db2.gz DLADSOYJYNEVHM-VXGBXAGGSA-N 1 2 298.346 0.875 20 30 CCEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000788274813 581103220 /nfs/dbraw/zinc/10/32/20/581103220.db2.gz DLADSOYJYNEVHM-VXGBXAGGSA-N 1 2 298.346 0.875 20 30 CCEDLO CN(C)C(=O)N1CC[N@H+](CC(=O)NCCC#N)C(C)(C)C1 ZINC000777738928 581132103 /nfs/dbraw/zinc/13/21/03/581132103.db2.gz JUJIKYOURWJOCN-UHFFFAOYSA-N 1 2 295.387 0.094 20 30 CCEDLO CN(C)C(=O)N1CC[N@@H+](CC(=O)NCCC#N)C(C)(C)C1 ZINC000777738928 581132105 /nfs/dbraw/zinc/13/21/05/581132105.db2.gz JUJIKYOURWJOCN-UHFFFAOYSA-N 1 2 295.387 0.094 20 30 CCEDLO C#CCNC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000778236939 581146872 /nfs/dbraw/zinc/14/68/72/581146872.db2.gz OSWLCSUIMKXLSO-UHFFFAOYSA-N 1 2 294.358 0.980 20 30 CCEDLO C=CCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000790708403 581194899 /nfs/dbraw/zinc/19/48/99/581194899.db2.gz VXDXMEUQUVURAT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000790708403 581194900 /nfs/dbraw/zinc/19/49/00/581194900.db2.gz VXDXMEUQUVURAT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCOC(C)(C)C1 ZINC000780251240 581223832 /nfs/dbraw/zinc/22/38/32/581223832.db2.gz ARYNMPSYPPPJQE-SECBINFHSA-N 1 2 279.344 0.949 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780956169 581252138 /nfs/dbraw/zinc/25/21/38/581252138.db2.gz QJUNOUQPCZHSKJ-CYBMUJFWSA-N 1 2 270.292 0.940 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2cc(Cl)nc(N)n2)cn1 ZINC000781594639 581272800 /nfs/dbraw/zinc/27/28/00/581272800.db2.gz DJVUEHLOUPHIEE-UHFFFAOYSA-N 1 2 264.680 0.530 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000783618095 581353253 /nfs/dbraw/zinc/35/32/53/581353253.db2.gz LWBWLJIXBJVOKC-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000783618095 581353254 /nfs/dbraw/zinc/35/32/54/581353254.db2.gz LWBWLJIXBJVOKC-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000728568623 581364746 /nfs/dbraw/zinc/36/47/46/581364746.db2.gz GFCXWAFGJNEBGR-UHFFFAOYSA-N 1 2 274.317 0.897 20 30 CCEDLO C#CCOCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000784179220 581375402 /nfs/dbraw/zinc/37/54/02/581375402.db2.gz RLOBGHUUMPJYGH-UHFFFAOYSA-N 1 2 299.334 0.716 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)CCC1 ZINC000784335794 581380351 /nfs/dbraw/zinc/38/03/51/581380351.db2.gz BUVMZBDJDFWXPA-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)CCC1 ZINC000784335794 581380353 /nfs/dbraw/zinc/38/03/53/581380353.db2.gz BUVMZBDJDFWXPA-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000794990567 581393598 /nfs/dbraw/zinc/39/35/98/581393598.db2.gz GRKXNDNWQPNGLV-REJLFOLJSA-N 1 2 291.351 0.146 20 30 CCEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000794990567 581393600 /nfs/dbraw/zinc/39/36/00/581393600.db2.gz GRKXNDNWQPNGLV-REJLFOLJSA-N 1 2 291.351 0.146 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784895353 581397409 /nfs/dbraw/zinc/39/74/09/581397409.db2.gz IDRDVNLFYAVNOW-UHFFFAOYSA-N 1 2 274.324 0.534 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)cn1 ZINC000784914337 581398588 /nfs/dbraw/zinc/39/85/88/581398588.db2.gz MVEULXZAZSEYQK-LLVKDONJSA-N 1 2 275.308 0.831 20 30 CCEDLO C=CCCOCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784919023 581399219 /nfs/dbraw/zinc/39/92/19/581399219.db2.gz URUCNYNLNKIEEQ-GFCCVEGCSA-N 1 2 257.330 0.843 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC000795912672 581427258 /nfs/dbraw/zinc/42/72/58/581427258.db2.gz BQAUAPYMDUUSCR-UHFFFAOYSA-N 1 2 289.335 0.089 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796344926 581437914 /nfs/dbraw/zinc/43/79/14/581437914.db2.gz KCUZXNCFYAYRKI-AGIUHOORSA-N 1 2 254.330 0.795 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796344926 581437917 /nfs/dbraw/zinc/43/79/17/581437917.db2.gz KCUZXNCFYAYRKI-AGIUHOORSA-N 1 2 254.330 0.795 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCN(CCOC)C(=O)C2)cc1 ZINC000787773764 581477801 /nfs/dbraw/zinc/47/78/01/581477801.db2.gz FAUZZADHMOCPJE-UHFFFAOYSA-N 1 2 272.348 0.959 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCN(CCOC)C(=O)C2)cc1 ZINC000787773764 581477802 /nfs/dbraw/zinc/47/78/02/581477802.db2.gz FAUZZADHMOCPJE-UHFFFAOYSA-N 1 2 272.348 0.959 20 30 CCEDLO C#CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000733648315 581516579 /nfs/dbraw/zinc/51/65/79/581516579.db2.gz NXWYQOIESKRNPB-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000766268460 581560514 /nfs/dbraw/zinc/56/05/14/581560514.db2.gz KJDAVDXUIMVJJF-LLVKDONJSA-N 1 2 273.327 0.397 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000766268460 581560516 /nfs/dbraw/zinc/56/05/16/581560516.db2.gz KJDAVDXUIMVJJF-LLVKDONJSA-N 1 2 273.327 0.397 20 30 CCEDLO C#CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000753969005 581568133 /nfs/dbraw/zinc/56/81/33/581568133.db2.gz QXTPZPCAUHWSAI-UHFFFAOYSA-N 1 2 275.327 0.697 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000766729293 581578515 /nfs/dbraw/zinc/57/85/15/581578515.db2.gz DLOAYDPTMUKLCP-SOZUMNATSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000766729293 581578518 /nfs/dbraw/zinc/57/85/18/581578518.db2.gz DLOAYDPTMUKLCP-SOZUMNATSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000766729288 581578624 /nfs/dbraw/zinc/57/86/24/581578624.db2.gz DLOAYDPTMUKLCP-FTLABTOESA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000766729288 581578627 /nfs/dbraw/zinc/57/86/27/581578627.db2.gz DLOAYDPTMUKLCP-FTLABTOESA-N 1 2 270.398 0.357 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000729385225 581578922 /nfs/dbraw/zinc/57/89/22/581578922.db2.gz CSDQCGXDJNYEEM-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000729385225 581578924 /nfs/dbraw/zinc/57/89/24/581578924.db2.gz CSDQCGXDJNYEEM-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO CSCCNC(=S)NN=Cc1[nH+]c[nH]c1C ZINC000769601025 581590170 /nfs/dbraw/zinc/59/01/70/581590170.db2.gz AEPMGMBZRBGMSZ-UHFFFAOYSA-N 1 2 257.388 0.879 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCCC#N)C(=O)OC(C)(C)C ZINC000768743969 581652552 /nfs/dbraw/zinc/65/25/52/581652552.db2.gz NJCTWXXCCFYSOC-UHFFFAOYSA-N 1 2 298.387 0.815 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCCC#N)C(=O)OC(C)(C)C ZINC000768743969 581652554 /nfs/dbraw/zinc/65/25/54/581652554.db2.gz NJCTWXXCCFYSOC-UHFFFAOYSA-N 1 2 298.387 0.815 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000757852585 581694807 /nfs/dbraw/zinc/69/48/07/581694807.db2.gz OXJZRQPVONYVHJ-UHFFFAOYSA-N 1 2 278.381 0.900 20 30 CCEDLO COC(=O)C1([N@H+](C)CC(=O)NCCC#N)CCCC1 ZINC000770240765 581736628 /nfs/dbraw/zinc/73/66/28/581736628.db2.gz PYFHZYALZMFHFE-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)C1([N@@H+](C)CC(=O)NCCC#N)CCCC1 ZINC000770240765 581736630 /nfs/dbraw/zinc/73/66/30/581736630.db2.gz PYFHZYALZMFHFE-UHFFFAOYSA-N 1 2 267.329 0.434 20 30 CCEDLO C#CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000731213031 581757496 /nfs/dbraw/zinc/75/74/96/581757496.db2.gz RRVXFVWBARIOEM-ZDUSSCGKSA-N 1 2 294.376 0.008 20 30 CCEDLO C#CC[N@H+](Cc1ccn(C)c(=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000731213031 581757500 /nfs/dbraw/zinc/75/75/00/581757500.db2.gz RRVXFVWBARIOEM-ZDUSSCGKSA-N 1 2 294.376 0.008 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CC(=O)NC ZINC000741786110 581762056 /nfs/dbraw/zinc/76/20/56/581762056.db2.gz BETDMBSJDSPOOF-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)CC(=O)NC ZINC000741786110 581762061 /nfs/dbraw/zinc/76/20/61/581762061.db2.gz BETDMBSJDSPOOF-NSHDSACASA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(CC)c1ncc(C=[NH+]OCC(N)=O)s1 ZINC000771575201 581810051 /nfs/dbraw/zinc/81/00/51/581810051.db2.gz GEPOITNBYJJJMG-UHFFFAOYSA-N 1 2 256.331 0.825 20 30 CCEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@@H]1CCCO1 ZINC000772258833 581849374 /nfs/dbraw/zinc/84/93/74/581849374.db2.gz SQMVRWHDKAQVBK-MNOVXSKESA-N 1 2 261.329 0.839 20 30 CCEDLO C#C[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@@H]1CCCO1 ZINC000772258833 581849378 /nfs/dbraw/zinc/84/93/78/581849378.db2.gz SQMVRWHDKAQVBK-MNOVXSKESA-N 1 2 261.329 0.839 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745091236 581864985 /nfs/dbraw/zinc/86/49/85/581864985.db2.gz WFARGHFPRXJYSD-RYUDHWBXSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745091236 581864987 /nfs/dbraw/zinc/86/49/87/581864987.db2.gz WFARGHFPRXJYSD-RYUDHWBXSA-N 1 2 266.341 0.542 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CCN(CC[S@@](C)=O)CC1 ZINC000760854790 581876130 /nfs/dbraw/zinc/87/61/30/581876130.db2.gz MZPZKIVPPHSHJA-SCLBCKFNSA-N 1 2 274.430 0.310 20 30 CCEDLO C=CCC[C@H](O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000760854790 581876132 /nfs/dbraw/zinc/87/61/32/581876132.db2.gz MZPZKIVPPHSHJA-SCLBCKFNSA-N 1 2 274.430 0.310 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000748053677 581960665 /nfs/dbraw/zinc/96/06/65/581960665.db2.gz MXFBKKRRXBJALV-UHFFFAOYSA-N 1 2 256.371 0.367 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@H]1CCCO1 ZINC000776129776 582053291 /nfs/dbraw/zinc/05/32/91/582053291.db2.gz WBTDHPADIOHUOX-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@H]1CCCO1 ZINC000776129776 582053292 /nfs/dbraw/zinc/05/32/92/582053292.db2.gz WBTDHPADIOHUOX-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#Cc1cccc(NC(=O)CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000776339674 582069916 /nfs/dbraw/zinc/06/99/16/582069916.db2.gz BFRZDDRDRNMOLB-UHFFFAOYSA-N 1 2 296.330 0.699 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCn2cc[nH+]c2)nc1 ZINC000751321705 582075636 /nfs/dbraw/zinc/07/56/36/582075636.db2.gz OLVHXEXHJMAHDK-UHFFFAOYSA-N 1 2 284.323 0.768 20 30 CCEDLO CC(C)(C)[C@@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000764947282 582077950 /nfs/dbraw/zinc/07/79/50/582077950.db2.gz LSSGVUXNYAAYSE-ZDUSSCGKSA-N 1 2 297.399 0.468 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1=O ZINC000776777565 582090844 /nfs/dbraw/zinc/09/08/44/582090844.db2.gz WOBIDNRCORSXHF-GFCCVEGCSA-N 1 2 270.296 0.216 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](n3cncn3)C2)c1=O ZINC000776777565 582090846 /nfs/dbraw/zinc/09/08/46/582090846.db2.gz WOBIDNRCORSXHF-GFCCVEGCSA-N 1 2 270.296 0.216 20 30 CCEDLO CC(C)[N@H+]1CC(=NNC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000776796260 582091317 /nfs/dbraw/zinc/09/13/17/582091317.db2.gz DSRZULKEZLAZKB-LLVKDONJSA-N 1 2 287.429 0.869 20 30 CCEDLO CC(C)[N@@H+]1CC(=NNC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000776796260 582091319 /nfs/dbraw/zinc/09/13/19/582091319.db2.gz DSRZULKEZLAZKB-LLVKDONJSA-N 1 2 287.429 0.869 20 30 CCEDLO C#CCO[C@@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837841772 612998233 /nfs/dbraw/zinc/99/82/33/612998233.db2.gz IIFKYQOWBBBVPS-RWMBFGLXSA-N 1 2 267.325 0.431 20 30 CCEDLO C#CCO[C@@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837841772 612998234 /nfs/dbraw/zinc/99/82/34/612998234.db2.gz IIFKYQOWBBBVPS-RWMBFGLXSA-N 1 2 267.325 0.431 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852323697 612947853 /nfs/dbraw/zinc/94/78/53/612947853.db2.gz LALAUNMMPAEHRP-BXUZGUMPSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852323697 612947854 /nfs/dbraw/zinc/94/78/54/612947854.db2.gz LALAUNMMPAEHRP-BXUZGUMPSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC1(F)CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000829324080 612948678 /nfs/dbraw/zinc/94/86/78/612948678.db2.gz DDSVYBMIEYYKSV-OLZOCXBDSA-N 1 2 296.342 0.050 20 30 CCEDLO C#CC1(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000883118289 612949870 /nfs/dbraw/zinc/94/98/70/612949870.db2.gz SFSNGURWHISGSU-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@H+](C)CCO1 ZINC000827377997 617179852 /nfs/dbraw/zinc/17/98/52/617179852.db2.gz JTUYUZNINJRYIV-YPMHNXCESA-N 1 2 278.377 0.935 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827377997 617179853 /nfs/dbraw/zinc/17/98/53/617179853.db2.gz JTUYUZNINJRYIV-YPMHNXCESA-N 1 2 278.377 0.935 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC1CC2(CC(NCC#N)C2)C1 ZINC000965847734 649938300 /nfs/dbraw/zinc/93/83/00/649938300.db2.gz LESRDGNVTPKFFK-UHFFFAOYSA-N 1 2 287.367 0.503 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845374 606890892 /nfs/dbraw/zinc/89/08/92/606890892.db2.gz SZBMZZSFSHSPBX-MFKMUULPSA-N 1 2 286.339 0.992 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819845374 606890890 /nfs/dbraw/zinc/89/08/90/606890890.db2.gz SZBMZZSFSHSPBX-MFKMUULPSA-N 1 2 286.339 0.992 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000828824642 613100251 /nfs/dbraw/zinc/10/02/51/613100251.db2.gz HJJOJPPSGKYDHR-ZDUSSCGKSA-N 1 2 255.321 0.931 20 30 CCEDLO C=C[C@@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925602266 613442505 /nfs/dbraw/zinc/44/25/05/613442505.db2.gz SVYKYJHEQHBDBP-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(C)C(CS(=O)(=O)N(C)C)=[NH+]n1cccn1 ZINC000863163785 613969003 /nfs/dbraw/zinc/96/90/03/613969003.db2.gz PJPNFALPAXBGTL-UHFFFAOYSA-N 1 2 258.347 0.635 20 30 CCEDLO CCCCN[NH+]=Cc1cnc(N2CCN(C)CC2)nc1 ZINC000755648025 614429112 /nfs/dbraw/zinc/42/91/12/614429112.db2.gz CMDVTNOPVGYQCE-UHFFFAOYSA-N 1 2 276.388 0.952 20 30 CCEDLO C#CC1(O)CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000892438725 612954688 /nfs/dbraw/zinc/95/46/88/612954688.db2.gz MTOMTKWDMHUNDK-UHFFFAOYSA-N 1 2 285.347 0.392 20 30 CCEDLO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981314280 612959613 /nfs/dbraw/zinc/95/96/13/612959613.db2.gz HVSKRHQXXAPXEB-ZJUUUORDSA-N 1 2 264.304 0.813 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913451538 612965458 /nfs/dbraw/zinc/96/54/58/612965458.db2.gz OVFIBDXMHQRWCR-GFCCVEGCSA-N 1 2 260.341 0.932 20 30 CCEDLO C#CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCC1 ZINC000886798000 612968360 /nfs/dbraw/zinc/96/83/60/612968360.db2.gz JULVZGQRXFNCSV-HWKANZROSA-N 1 2 262.353 0.937 20 30 CCEDLO C#CCC1([NH2+]Cc2nccn2S(=O)(=O)N(C)C)CCC1 ZINC000897350496 612971004 /nfs/dbraw/zinc/97/10/04/612971004.db2.gz FEXQAYZHTLBKBT-UHFFFAOYSA-N 1 2 296.396 0.573 20 30 CCEDLO C#CCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000877902731 612976896 /nfs/dbraw/zinc/97/68/96/612976896.db2.gz FZBQTZVQCGQBQT-LBPRGKRZSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000877902731 612976897 /nfs/dbraw/zinc/97/68/97/612976897.db2.gz FZBQTZVQCGQBQT-LBPRGKRZSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000806913509 612979118 /nfs/dbraw/zinc/97/91/18/612979118.db2.gz YGCCVMHAFBNACJ-UHFFFAOYSA-N 1 2 288.351 0.645 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000806913509 612979119 /nfs/dbraw/zinc/97/91/19/612979119.db2.gz YGCCVMHAFBNACJ-UHFFFAOYSA-N 1 2 288.351 0.645 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000806915846 612979593 /nfs/dbraw/zinc/97/95/93/612979593.db2.gz OMRDJNJWPZTYIP-LBPRGKRZSA-N 1 2 288.351 0.266 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000806909961 612980254 /nfs/dbraw/zinc/98/02/54/612980254.db2.gz IDFRUFXTQYJSMH-UHFFFAOYSA-N 1 2 284.319 0.480 20 30 CCEDLO C#CCOCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928638443 612980704 /nfs/dbraw/zinc/98/07/04/612980704.db2.gz CSFAKEDYVWGQGD-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCOCC[N@@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000851840395 612982009 /nfs/dbraw/zinc/98/20/09/612982009.db2.gz FRPXKZMFFYFENE-GFCCVEGCSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CCOCC[N@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000851840395 612982011 /nfs/dbraw/zinc/98/20/11/612982011.db2.gz FRPXKZMFFYFENE-GFCCVEGCSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CCOCC[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000879432694 612984268 /nfs/dbraw/zinc/98/42/68/612984268.db2.gz NUWVCDWQPJZYLP-ZDUSSCGKSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCC[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000879432694 612984269 /nfs/dbraw/zinc/98/42/69/612984269.db2.gz NUWVCDWQPJZYLP-ZDUSSCGKSA-N 1 2 255.314 0.290 20 30 CCEDLO C#CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805280043 612986614 /nfs/dbraw/zinc/98/66/14/612986614.db2.gz XLHLQSZJKIEGPI-ZIAGYGMSSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000853619890 612988882 /nfs/dbraw/zinc/98/88/82/612988882.db2.gz MDQGNOZHBUFTSA-ZDUSSCGKSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000853619890 612988884 /nfs/dbraw/zinc/98/88/84/612988884.db2.gz MDQGNOZHBUFTSA-ZDUSSCGKSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC000957113050 613009151 /nfs/dbraw/zinc/00/91/51/613009151.db2.gz ZACTUSHQOAMSQP-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000801609186 613010831 /nfs/dbraw/zinc/01/08/31/613010831.db2.gz RCTSWLGNSSYXCH-UHFFFAOYSA-N 1 2 277.284 0.099 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC000825548540 613011092 /nfs/dbraw/zinc/01/10/92/613011092.db2.gz CAJZYRLQESCDFB-UHFFFAOYSA-N 1 2 287.367 0.469 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000858235257 613035055 /nfs/dbraw/zinc/03/50/55/613035055.db2.gz PFEOHKIFAASRFS-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000858235257 613035057 /nfs/dbraw/zinc/03/50/57/613035057.db2.gz PFEOHKIFAASRFS-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000887709411 613046092 /nfs/dbraw/zinc/04/60/92/613046092.db2.gz HSQLWMLRFAIFRR-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000919982224 613050625 /nfs/dbraw/zinc/05/06/25/613050625.db2.gz RJXQEBCPLYPFAX-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000919982224 613050627 /nfs/dbraw/zinc/05/06/27/613050627.db2.gz RJXQEBCPLYPFAX-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921630371 613056006 /nfs/dbraw/zinc/05/60/06/613056006.db2.gz SKZNPYUJZHGIEL-QWHCGFSZSA-N 1 2 288.351 0.344 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000816674812 613057222 /nfs/dbraw/zinc/05/72/22/613057222.db2.gz LBZWXDQCGHBXBE-TZMCWYRMSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000816674812 613057224 /nfs/dbraw/zinc/05/72/24/613057224.db2.gz LBZWXDQCGHBXBE-TZMCWYRMSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000888191281 613073513 /nfs/dbraw/zinc/07/35/13/613073513.db2.gz ICTDBZMNFUGKER-GJZGRUSLSA-N 1 2 292.427 0.677 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000907838373 613078221 /nfs/dbraw/zinc/07/82/21/613078221.db2.gz OJPWEFCCGNDZBN-UHFFFAOYSA-N 1 2 271.324 0.831 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000980368878 613086657 /nfs/dbraw/zinc/08/66/57/613086657.db2.gz GBPAABXUFCDMTD-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000980368878 613086658 /nfs/dbraw/zinc/08/66/58/613086658.db2.gz GBPAABXUFCDMTD-GFCCVEGCSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000828062490 613107606 /nfs/dbraw/zinc/10/76/06/613107606.db2.gz JUBSYAQIWCXRKF-ZIAGYGMSSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000828062490 613107608 /nfs/dbraw/zinc/10/76/08/613107608.db2.gz JUBSYAQIWCXRKF-ZIAGYGMSSA-N 1 2 285.409 0.925 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000838268633 613110640 /nfs/dbraw/zinc/11/06/40/613110640.db2.gz RVVJZUGEHUMXIJ-VXGBXAGGSA-N 1 2 259.309 0.306 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)NCc1cnc(C)s1 ZINC000878705230 613111642 /nfs/dbraw/zinc/11/16/42/613111642.db2.gz RZTGBILJKFEVKY-GFCCVEGCSA-N 1 2 293.392 0.792 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)NCc1cnc(C)s1 ZINC000878705230 613111643 /nfs/dbraw/zinc/11/16/43/613111643.db2.gz RZTGBILJKFEVKY-GFCCVEGCSA-N 1 2 293.392 0.792 20 30 CCEDLO C#C[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000907488289 613130961 /nfs/dbraw/zinc/13/09/61/613130961.db2.gz PLCQHSVAMNPDPG-QNCSTDJMSA-N 1 2 292.379 0.562 20 30 CCEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCOCC1 ZINC000869288697 613131141 /nfs/dbraw/zinc/13/11/41/613131141.db2.gz UFAINTCDJDUAPL-BWPKMQGJSA-N 1 2 292.379 0.419 20 30 CCEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000867499692 613131177 /nfs/dbraw/zinc/13/11/77/613131177.db2.gz OFXMOYAWPHXWCG-DZYGNGBISA-N 1 2 278.352 0.172 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000928654110 613136785 /nfs/dbraw/zinc/13/67/85/613136785.db2.gz NRQIKUUKDZWVIF-CYBMUJFWSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000921437314 613138728 /nfs/dbraw/zinc/13/87/28/613138728.db2.gz TZRNBRUINJHBKJ-UHFFFAOYSA-N 1 2 293.348 0.527 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC000848492654 613159561 /nfs/dbraw/zinc/15/95/61/613159561.db2.gz ACTPKNKZLIPKOQ-QWRGUYRKSA-N 1 2 266.297 0.283 20 30 CCEDLO C#C[C@H]1CCC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC000848492654 613159562 /nfs/dbraw/zinc/15/95/62/613159562.db2.gz ACTPKNKZLIPKOQ-QWRGUYRKSA-N 1 2 266.297 0.283 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)OC)C1 ZINC000885512685 613175901 /nfs/dbraw/zinc/17/59/01/613175901.db2.gz XWYXAVXFTNHHHN-VXGBXAGGSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)OC)C1 ZINC000885512685 613175902 /nfs/dbraw/zinc/17/59/02/613175902.db2.gz XWYXAVXFTNHHHN-VXGBXAGGSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](CC)OC)C1 ZINC000885508773 613175968 /nfs/dbraw/zinc/17/59/68/613175968.db2.gz KTTBEEWFGDMXER-OLZOCXBDSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](CC)OC)C1 ZINC000885508773 613175970 /nfs/dbraw/zinc/17/59/70/613175970.db2.gz KTTBEEWFGDMXER-OLZOCXBDSA-N 1 2 288.413 0.428 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cn1 ZINC000928639797 613183392 /nfs/dbraw/zinc/18/33/92/613183392.db2.gz LQXPQJNRGZAWFF-HNNXBMFYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801262211 613196031 /nfs/dbraw/zinc/19/60/31/613196031.db2.gz NVOHGSDNJVXANK-UONOGXRCSA-N 1 2 290.363 0.291 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801262211 613196042 /nfs/dbraw/zinc/19/60/42/613196042.db2.gz NVOHGSDNJVXANK-UONOGXRCSA-N 1 2 290.363 0.291 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000928745377 613199543 /nfs/dbraw/zinc/19/95/43/613199543.db2.gz DNUQUUQVBQNSTA-HOCLYGCPSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000928745377 613199544 /nfs/dbraw/zinc/19/95/44/613199544.db2.gz DNUQUUQVBQNSTA-HOCLYGCPSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(CC=C)nn1 ZINC000819606315 613199810 /nfs/dbraw/zinc/19/98/10/613199810.db2.gz OEPSACOYPOURDT-ZDUSSCGKSA-N 1 2 273.340 0.178 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(CC=C)nn1 ZINC000819606315 613199812 /nfs/dbraw/zinc/19/98/12/613199812.db2.gz OEPSACOYPOURDT-ZDUSSCGKSA-N 1 2 273.340 0.178 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc2n(n1)CCCO2 ZINC000848097174 613199884 /nfs/dbraw/zinc/19/98/84/613199884.db2.gz WWXMNTGYXWVGKR-ZDUSSCGKSA-N 1 2 288.351 0.379 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc2n(n1)CCCO2 ZINC000848097174 613199886 /nfs/dbraw/zinc/19/98/86/613199886.db2.gz WWXMNTGYXWVGKR-ZDUSSCGKSA-N 1 2 288.351 0.379 20 30 CCEDLO C#Cc1cccnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000853215175 613208492 /nfs/dbraw/zinc/20/84/92/613208492.db2.gz OXYJCEIAZRFXRN-UHFFFAOYSA-N 1 2 258.325 0.060 20 30 CCEDLO C#Cc1cccnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000853215175 613208493 /nfs/dbraw/zinc/20/84/93/613208493.db2.gz OXYJCEIAZRFXRN-UHFFFAOYSA-N 1 2 258.325 0.060 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326319 613212009 /nfs/dbraw/zinc/21/20/09/613212009.db2.gz FHJCULIWTVJXAV-KSKAUBAUSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326319 613212011 /nfs/dbraw/zinc/21/20/11/613212011.db2.gz FHJCULIWTVJXAV-KSKAUBAUSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294606 613212459 /nfs/dbraw/zinc/21/24/59/613212459.db2.gz NHXMBHGNIQONOX-OAHLLOKOSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294606 613212460 /nfs/dbraw/zinc/21/24/60/613212460.db2.gz NHXMBHGNIQONOX-OAHLLOKOSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972366045 613212480 /nfs/dbraw/zinc/21/24/80/613212480.db2.gz XVYVVTCRCQYEOY-OAHLLOKOSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972366045 613212481 /nfs/dbraw/zinc/21/24/81/613212481.db2.gz XVYVVTCRCQYEOY-OAHLLOKOSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972561962 613212982 /nfs/dbraw/zinc/21/29/82/613212982.db2.gz XBIAKILXJKHAPO-IIAWOOMASA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972561962 613212984 /nfs/dbraw/zinc/21/29/84/613212984.db2.gz XBIAKILXJKHAPO-IIAWOOMASA-N 1 2 292.379 0.490 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000836861021 613216992 /nfs/dbraw/zinc/21/69/92/613216992.db2.gz PXISQUQAQTYBTF-GASCZTMLSA-N 1 2 285.347 0.656 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000836861021 613216993 /nfs/dbraw/zinc/21/69/93/613216993.db2.gz PXISQUQAQTYBTF-GASCZTMLSA-N 1 2 285.347 0.656 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC000967397260 613219198 /nfs/dbraw/zinc/21/91/98/613219198.db2.gz MQIHIBFAJHIGTK-TZMCWYRMSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC000967397260 613219199 /nfs/dbraw/zinc/21/91/99/613219199.db2.gz MQIHIBFAJHIGTK-TZMCWYRMSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947699520 613277193 /nfs/dbraw/zinc/27/71/93/613277193.db2.gz YUBJNUTVNZXROY-ZJUUUORDSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947699520 613277194 /nfs/dbraw/zinc/27/71/94/613277194.db2.gz YUBJNUTVNZXROY-ZJUUUORDSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000942599537 613277557 /nfs/dbraw/zinc/27/75/57/613277557.db2.gz BEDMVUJJOTWAOS-ONGXEEELSA-N 1 2 264.304 0.622 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000942599537 613277559 /nfs/dbraw/zinc/27/75/59/613277559.db2.gz BEDMVUJJOTWAOS-ONGXEEELSA-N 1 2 264.304 0.622 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC000949892516 613321157 /nfs/dbraw/zinc/32/11/57/613321157.db2.gz UDFJGTVHKSCOIR-UHFFFAOYSA-N 1 2 291.351 0.641 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000881869915 613323576 /nfs/dbraw/zinc/32/35/76/613323576.db2.gz USPSQXHWESVVFY-UHFFFAOYSA-N 1 2 273.336 0.540 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000883035701 613354757 /nfs/dbraw/zinc/35/47/57/613354757.db2.gz MFYXZHMTLLDHMC-LBPRGKRZSA-N 1 2 266.345 0.900 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882902052 613355240 /nfs/dbraw/zinc/35/52/40/613355240.db2.gz XLFNTRQRDXOISY-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000883630768 613357745 /nfs/dbraw/zinc/35/77/45/613357745.db2.gz CORATDNBUDGMJJ-VXGBXAGGSA-N 1 2 278.356 0.824 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867998125 613361794 /nfs/dbraw/zinc/36/17/94/613361794.db2.gz PRDIFUCRJJFTOW-PUFASFLSSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000969480809 613372291 /nfs/dbraw/zinc/37/22/91/613372291.db2.gz UPIDCEVLPOGIDK-QWRGUYRKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=CC[C@@H](C)[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000877940815 613399573 /nfs/dbraw/zinc/39/95/73/613399573.db2.gz JOSPEIWDXUWFRQ-CHWSQXEVSA-N 1 2 272.414 0.756 20 30 CCEDLO C=CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)C(=O)OC ZINC000905781338 613405823 /nfs/dbraw/zinc/40/58/23/613405823.db2.gz VWYBMFJWTKSHRM-DGCLKSJQSA-N 1 2 257.330 0.625 20 30 CCEDLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC000956569325 613418662 /nfs/dbraw/zinc/41/86/62/613418662.db2.gz HCRQRBKDDUBDDQ-HNNXBMFYSA-N 1 2 289.379 0.165 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000981753578 613430821 /nfs/dbraw/zinc/43/08/21/613430821.db2.gz HTEFFNUVTLHGPU-UHFFFAOYSA-N 1 2 281.400 0.821 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000981753578 613430822 /nfs/dbraw/zinc/43/08/22/613430822.db2.gz HTEFFNUVTLHGPU-UHFFFAOYSA-N 1 2 281.400 0.821 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000981750692 613431206 /nfs/dbraw/zinc/43/12/06/613431206.db2.gz GWQDSZFANKDUDF-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000981750692 613431208 /nfs/dbraw/zinc/43/12/08/613431208.db2.gz GWQDSZFANKDUDF-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=C[C@@H](C)ONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911903905 613442913 /nfs/dbraw/zinc/44/29/13/613442913.db2.gz ZPCAEHQLNKHFHC-LMMOQWNQSA-N 1 2 254.330 0.887 20 30 CCEDLO C=CCC1(O)CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000924432495 613458928 /nfs/dbraw/zinc/45/89/28/613458928.db2.gz KZBXAWSIBPYWFG-CQSZACIVSA-N 1 2 295.427 0.552 20 30 CCEDLO C=CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807280817 613465221 /nfs/dbraw/zinc/46/52/21/613465221.db2.gz LLPFWEZUNULCCB-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000800347044 613482163 /nfs/dbraw/zinc/48/21/63/613482163.db2.gz RRQWUTZRWJWVFN-SNVBAGLBSA-N 1 2 252.314 0.316 20 30 CCEDLO C=C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934527580 613482908 /nfs/dbraw/zinc/48/29/08/613482908.db2.gz DUBWBPXWHSBJIA-XQQFMLRXSA-N 1 2 268.357 0.557 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000845636292 613487879 /nfs/dbraw/zinc/48/78/79/613487879.db2.gz NEGADJUYXLUQCC-TUAOUCFPSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874712357 613507065 /nfs/dbraw/zinc/50/70/65/613507065.db2.gz XLUMKYNAEPMBHD-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874712357 613507071 /nfs/dbraw/zinc/50/70/71/613507071.db2.gz XLUMKYNAEPMBHD-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)SC)CC2)C1 ZINC000941324004 613529724 /nfs/dbraw/zinc/52/97/24/613529724.db2.gz XXIHEEDXNBLECB-ZDUSSCGKSA-N 1 2 295.452 0.590 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972368233 613571257 /nfs/dbraw/zinc/57/12/57/613571257.db2.gz RKZCZDFKLQPFJU-TZMCWYRMSA-N 1 2 298.333 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972368233 613571258 /nfs/dbraw/zinc/57/12/58/613571258.db2.gz RKZCZDFKLQPFJU-TZMCWYRMSA-N 1 2 298.333 0.968 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056361 613572287 /nfs/dbraw/zinc/57/22/87/613572287.db2.gz ACDUSNJXBWLPOQ-UHFFFAOYSA-N 1 2 284.356 0.144 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056361 613572288 /nfs/dbraw/zinc/57/22/88/613572288.db2.gz ACDUSNJXBWLPOQ-UHFFFAOYSA-N 1 2 284.356 0.144 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043353 613575298 /nfs/dbraw/zinc/57/52/98/613575298.db2.gz CKZAPQWOYHQHLJ-DGCLKSJQSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043353 613575301 /nfs/dbraw/zinc/57/53/01/613575301.db2.gz CKZAPQWOYHQHLJ-DGCLKSJQSA-N 1 2 289.383 0.506 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925604281 613583939 /nfs/dbraw/zinc/58/39/39/613583939.db2.gz IQJCEFDHWXKGPG-KBPBESRZSA-N 1 2 299.415 0.724 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977620826 613608689 /nfs/dbraw/zinc/60/86/89/613608689.db2.gz LEPOKOHBSGHDKS-CQSZACIVSA-N 1 2 277.412 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977620826 613608690 /nfs/dbraw/zinc/60/86/90/613608690.db2.gz LEPOKOHBSGHDKS-CQSZACIVSA-N 1 2 277.412 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977620818 613620274 /nfs/dbraw/zinc/62/02/74/613620274.db2.gz LEPOKOHBSGHDKS-AWEZNQCLSA-N 1 2 277.412 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977620818 613620276 /nfs/dbraw/zinc/62/02/76/613620276.db2.gz LEPOKOHBSGHDKS-AWEZNQCLSA-N 1 2 277.412 0.932 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2C[C@@]23CCOC3)nn1 ZINC000887456241 613645080 /nfs/dbraw/zinc/64/50/80/613645080.db2.gz BFHYWOPCTKSEOK-TZMCWYRMSA-N 1 2 260.341 0.818 20 30 CCEDLO C=CC[N@@H+](CC(=O)OCC)CC1(C(=O)OC)CC1 ZINC000827510466 613645622 /nfs/dbraw/zinc/64/56/22/613645622.db2.gz CGMBYVIYGNHFLM-UHFFFAOYSA-N 1 2 255.314 0.991 20 30 CCEDLO C=CC[N@H+](CC(=O)OCC)CC1(C(=O)OC)CC1 ZINC000827510466 613645623 /nfs/dbraw/zinc/64/56/23/613645623.db2.gz CGMBYVIYGNHFLM-UHFFFAOYSA-N 1 2 255.314 0.991 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846978397 613648574 /nfs/dbraw/zinc/64/85/74/613648574.db2.gz SKWOUMRZDBZJEK-ZDUSSCGKSA-N 1 2 267.373 0.755 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000844112610 613649630 /nfs/dbraw/zinc/64/96/30/613649630.db2.gz LYMJMARHXHEMOR-NSHDSACASA-N 1 2 257.293 0.838 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000878242835 613651197 /nfs/dbraw/zinc/65/11/97/613651197.db2.gz WKLWNMKEEKAIDO-RYUDHWBXSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000878242835 613651198 /nfs/dbraw/zinc/65/11/98/613651198.db2.gz WKLWNMKEEKAIDO-RYUDHWBXSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2C(=O)Cc3ccccc32)CC1 ZINC000950728939 613708464 /nfs/dbraw/zinc/70/84/64/613708464.db2.gz KPACFRNQSAQUIZ-UHFFFAOYSA-N 1 2 299.374 0.906 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC000957701281 613710497 /nfs/dbraw/zinc/71/04/97/613710497.db2.gz RRJCLLVDRTUJEH-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 ZINC000950618013 613710653 /nfs/dbraw/zinc/71/06/53/613710653.db2.gz ODHMMKGLAUOWKQ-NWDGAFQWSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 ZINC000950618015 613712089 /nfs/dbraw/zinc/71/20/89/613712089.db2.gz ODHMMKGLAUOWKQ-VXGBXAGGSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC000949904114 613712808 /nfs/dbraw/zinc/71/28/08/613712808.db2.gz FWNKYOATNDKLEC-NSHDSACASA-N 1 2 275.356 0.555 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373200 613723394 /nfs/dbraw/zinc/72/33/94/613723394.db2.gz JJHAOGIXKIMORM-INIZCTEOSA-N 1 2 294.395 0.781 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 ZINC000972373200 613723397 /nfs/dbraw/zinc/72/33/97/613723397.db2.gz JJHAOGIXKIMORM-INIZCTEOSA-N 1 2 294.395 0.781 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 ZINC000972277076 613724586 /nfs/dbraw/zinc/72/45/86/613724586.db2.gz VBBNRSCJTFOGJI-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 ZINC000972277076 613724589 /nfs/dbraw/zinc/72/45/89/613724589.db2.gz VBBNRSCJTFOGJI-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000972277076 613724590 /nfs/dbraw/zinc/72/45/90/613724590.db2.gz VBBNRSCJTFOGJI-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000972277076 613724593 /nfs/dbraw/zinc/72/45/93/613724593.db2.gz VBBNRSCJTFOGJI-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000893320393 613847115 /nfs/dbraw/zinc/84/71/15/613847115.db2.gz YYPXMCJNBGSUHD-UHFFFAOYSA-N 1 2 285.351 0.718 20 30 CCEDLO C=CCNC(=S)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905656812 613857631 /nfs/dbraw/zinc/85/76/31/613857631.db2.gz RMDPYKYCENLBNT-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCCCO1 ZINC000884100184 613877420 /nfs/dbraw/zinc/87/74/20/613877420.db2.gz LWBJLZWIBLJAHT-NEPJUHHUSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1COC ZINC000884435725 613877525 /nfs/dbraw/zinc/87/75/25/613877525.db2.gz IAQOBCGLISXRCU-MNOVXSKESA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000884316371 613877867 /nfs/dbraw/zinc/87/78/67/613877867.db2.gz QWCOKXWETRKIRN-SDDRHHMPSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000884402605 613878000 /nfs/dbraw/zinc/87/80/00/613878000.db2.gz ZPYVBANMBGUVKM-TUKIKUTGSA-N 1 2 296.367 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC2(CCC2)C1 ZINC000884413241 613878010 /nfs/dbraw/zinc/87/80/10/613878010.db2.gz NDPXRROLVUURHP-NSHDSACASA-N 1 2 266.341 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C)CCCC1 ZINC000884094753 613878025 /nfs/dbraw/zinc/87/80/25/613878025.db2.gz TZJTYTIOGWTOFI-JTQLQIEISA-N 1 2 254.330 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H]1C ZINC000884151572 613878073 /nfs/dbraw/zinc/87/80/73/613878073.db2.gz PQOBYCHDJUKZKL-MXWKQRLJSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000884377225 613878134 /nfs/dbraw/zinc/87/81/34/613878134.db2.gz CWSUJHHAVDFVFM-NHCYSSNCSA-N 1 2 284.356 0.505 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCCO1 ZINC000884133944 613878322 /nfs/dbraw/zinc/87/83/22/613878322.db2.gz PUFGNRJHMUZACN-GWCFXTLKSA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC12CC2 ZINC000884450840 613878523 /nfs/dbraw/zinc/87/85/23/613878523.db2.gz VGSAQZFSDPPZJG-WDEREUQCSA-N 1 2 266.341 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cn(C)nc1C ZINC000884098091 613878625 /nfs/dbraw/zinc/87/86/25/613878625.db2.gz ZGYRRIOYTPBYSC-CABZTGNLSA-N 1 2 294.355 0.352 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CC2CC2)no1 ZINC000904087740 613878950 /nfs/dbraw/zinc/87/89/50/613878950.db2.gz BJTMXZRODQIIHF-VIFPVBQESA-N 1 2 251.286 0.621 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933542664 613880485 /nfs/dbraw/zinc/88/04/85/613880485.db2.gz XROUXLWHCHPETN-CYBMUJFWSA-N 1 2 251.330 0.996 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933542664 613880486 /nfs/dbraw/zinc/88/04/86/613880486.db2.gz XROUXLWHCHPETN-CYBMUJFWSA-N 1 2 251.330 0.996 20 30 CCEDLO C=CCONC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000838711860 613883893 /nfs/dbraw/zinc/88/38/93/613883893.db2.gz VQYWURFURUIXNU-NEPJUHHUSA-N 1 2 269.345 0.609 20 30 CCEDLO C=CCONC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000875651231 613883988 /nfs/dbraw/zinc/88/39/88/613883988.db2.gz QHWNNMSRZJLWSW-CQSZACIVSA-N 1 2 299.371 0.019 20 30 CCEDLO C=CCONC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000875651231 613883989 /nfs/dbraw/zinc/88/39/89/613883989.db2.gz QHWNNMSRZJLWSW-CQSZACIVSA-N 1 2 299.371 0.019 20 30 CCEDLO C=CCONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000909284638 613884641 /nfs/dbraw/zinc/88/46/41/613884641.db2.gz GAPQMCLJEPYSSQ-UHFFFAOYSA-N 1 2 279.340 0.668 20 30 CCEDLO CC(C)(O)C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000878159732 614198851 /nfs/dbraw/zinc/19/88/51/614198851.db2.gz SRDWQKZCNFEKDB-CQSZACIVSA-N 1 2 299.415 0.056 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@H]1[C@H]1CCCO1 ZINC000810028496 614611351 /nfs/dbraw/zinc/61/13/51/614611351.db2.gz KFIZWRYIRUEAJO-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@H]1[C@H]1CCCO1 ZINC000810028496 614611355 /nfs/dbraw/zinc/61/13/55/614611355.db2.gz KFIZWRYIRUEAJO-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000895324370 614698447 /nfs/dbraw/zinc/69/84/47/614698447.db2.gz QDZLSGUOEQTPMP-SECBINFHSA-N 1 2 250.327 0.629 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000969457239 615002019 /nfs/dbraw/zinc/00/20/19/615002019.db2.gz MHJMQGADVGDBBK-ZIAGYGMSSA-N 1 2 294.399 0.201 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000969457239 615002020 /nfs/dbraw/zinc/00/20/20/615002020.db2.gz MHJMQGADVGDBBK-ZIAGYGMSSA-N 1 2 294.399 0.201 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933908228 615021587 /nfs/dbraw/zinc/02/15/87/615021587.db2.gz HRBWNFXOYPFDSL-LBPRGKRZSA-N 1 2 281.356 0.586 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933908228 615021590 /nfs/dbraw/zinc/02/15/90/615021590.db2.gz HRBWNFXOYPFDSL-LBPRGKRZSA-N 1 2 281.356 0.586 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531906 615021645 /nfs/dbraw/zinc/02/16/45/615021645.db2.gz YEBMFFZMIMSSBV-TZMCWYRMSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880531906 615021648 /nfs/dbraw/zinc/02/16/48/615021648.db2.gz YEBMFFZMIMSSBV-TZMCWYRMSA-N 1 2 292.383 0.349 20 30 CCEDLO CCOC(=O)/C=C/CN(CCC#N)CC[NH+]1CCOCC1 ZINC000929775367 615144189 /nfs/dbraw/zinc/14/41/89/615144189.db2.gz XXJQGYVFQLSLDS-HWKANZROSA-N 1 2 295.383 0.654 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nc(C#N)cs2)C1 ZINC000842082044 615186386 /nfs/dbraw/zinc/18/63/86/615186386.db2.gz ZGIQIXKMPRZSLK-JTQLQIEISA-N 1 2 281.337 0.779 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2nc(C#N)cs2)C1 ZINC000842082044 615186387 /nfs/dbraw/zinc/18/63/87/615186387.db2.gz ZGIQIXKMPRZSLK-JTQLQIEISA-N 1 2 281.337 0.779 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885973482 615187777 /nfs/dbraw/zinc/18/77/77/615187777.db2.gz UFCBTBZUWSVXPO-NSHDSACASA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885973482 615187781 /nfs/dbraw/zinc/18/77/81/615187781.db2.gz UFCBTBZUWSVXPO-NSHDSACASA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895160338 615195383 /nfs/dbraw/zinc/19/53/83/615195383.db2.gz MHXHSQABFFXXQK-JTQLQIEISA-N 1 2 296.327 0.067 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000882764329 615259423 /nfs/dbraw/zinc/25/94/23/615259423.db2.gz QQILSSOTAODHAX-SECBINFHSA-N 1 2 285.394 0.992 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000882764329 615259425 /nfs/dbraw/zinc/25/94/25/615259425.db2.gz QQILSSOTAODHAX-SECBINFHSA-N 1 2 285.394 0.992 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C#N)CC ZINC000928646318 615366001 /nfs/dbraw/zinc/36/60/01/615366001.db2.gz JKAVFRKBBNXRCN-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CCN1C[C@H](C[NH+]2CCN(CCC#N)CC2)OC1=O ZINC000846834406 615403290 /nfs/dbraw/zinc/40/32/90/615403290.db2.gz CHARSOZMZAEMOL-LBPRGKRZSA-N 1 2 266.345 0.358 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](C)C#N ZINC000925588169 615477627 /nfs/dbraw/zinc/47/76/27/615477627.db2.gz OMDCCWFNWNHFFF-OLZOCXBDSA-N 1 2 282.388 0.898 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)n1C ZINC000928646799 615479722 /nfs/dbraw/zinc/47/97/22/615479722.db2.gz MHSQIJACUWJNPQ-LBPRGKRZSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886016803 615550983 /nfs/dbraw/zinc/55/09/83/615550983.db2.gz LYPSGDNQVQFANN-NWDGAFQWSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886016803 615550984 /nfs/dbraw/zinc/55/09/84/615550984.db2.gz LYPSGDNQVQFANN-NWDGAFQWSA-N 1 2 265.357 0.642 20 30 CCEDLO CC[C@H](C)[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000905767849 615698698 /nfs/dbraw/zinc/69/86/98/615698698.db2.gz OKSYFOKZWKHVIY-ONGXEEELSA-N 1 2 265.317 0.327 20 30 CCEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000830569838 615995253 /nfs/dbraw/zinc/99/52/53/615995253.db2.gz WJDIGGGNXDEXEP-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000830569838 615995256 /nfs/dbraw/zinc/99/52/56/615995256.db2.gz WJDIGGGNXDEXEP-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CN(C)c1c(C=[NH+]OCC(N)=O)ccc(F)c1F ZINC000863104405 616003771 /nfs/dbraw/zinc/00/37/71/616003771.db2.gz FCYABLHBABAZLW-UHFFFAOYSA-N 1 2 257.240 0.867 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000907269525 616246699 /nfs/dbraw/zinc/24/66/99/616246699.db2.gz UXBNHABKOMYPAI-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000907269525 616246700 /nfs/dbraw/zinc/24/67/00/616246700.db2.gz UXBNHABKOMYPAI-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@@H+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882405 616246974 /nfs/dbraw/zinc/24/69/74/616246974.db2.gz WHOZWISZPDYKIF-LLVKDONJSA-N 1 2 276.296 0.579 20 30 CCEDLO C[N@H+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882405 616246975 /nfs/dbraw/zinc/24/69/75/616246975.db2.gz WHOZWISZPDYKIF-LLVKDONJSA-N 1 2 276.296 0.579 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879585748 616275023 /nfs/dbraw/zinc/27/50/23/616275023.db2.gz NVRDHYTYZJZIIJ-OAHLLOKOSA-N 1 2 284.363 0.911 20 30 CCEDLO COC1(C(F)(F)F)CN(C[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000899910834 616438595 /nfs/dbraw/zinc/43/85/95/616438595.db2.gz NXPSVBPKICVCTD-JTQLQIEISA-N 1 2 295.305 0.456 20 30 CCEDLO COC1(C(F)(F)F)CN(C[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000899910834 616438598 /nfs/dbraw/zinc/43/85/98/616438598.db2.gz NXPSVBPKICVCTD-JTQLQIEISA-N 1 2 295.305 0.456 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000871348440 616544398 /nfs/dbraw/zinc/54/43/98/616544398.db2.gz SULZFZSHSGXCNY-NSHDSACASA-N 1 2 278.312 0.749 20 30 CCEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000852572414 616766122 /nfs/dbraw/zinc/76/61/22/616766122.db2.gz XAHKVUYFBLNTAB-CQSZACIVSA-N 1 2 298.387 0.671 20 30 CCEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000852572414 616766126 /nfs/dbraw/zinc/76/61/26/616766126.db2.gz XAHKVUYFBLNTAB-CQSZACIVSA-N 1 2 298.387 0.671 20 30 CCEDLO COC[C@@H](C)NC(=S)NN=Cc1c[nH+]c(C)n1C ZINC000853269614 616827513 /nfs/dbraw/zinc/82/75/13/616827513.db2.gz UYDDCDOQMPLXCS-MRVPVSSYSA-N 1 2 269.374 0.561 20 30 CCEDLO COCc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895160539 616898238 /nfs/dbraw/zinc/89/82/38/616898238.db2.gz AFTSEURRZDDNNE-LLVKDONJSA-N 1 2 254.286 0.896 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000886854363 616933392 /nfs/dbraw/zinc/93/33/92/616933392.db2.gz LGFUMKKMYLQDKG-MNOVXSKESA-N 1 2 294.355 0.368 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000886854363 616933394 /nfs/dbraw/zinc/93/33/94/616933394.db2.gz LGFUMKKMYLQDKG-MNOVXSKESA-N 1 2 294.355 0.368 20 30 CCEDLO CON1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000902176561 617096262 /nfs/dbraw/zinc/09/62/62/617096262.db2.gz LZTPPJZNDMKAHA-SNVBAGLBSA-N 1 2 267.260 0.625 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1=O ZINC000902346079 617150019 /nfs/dbraw/zinc/15/00/19/617150019.db2.gz JPYOXSRHYMGLDY-ZWNOBZJWSA-N 1 2 291.351 1.000 20 30 CCEDLO COc1c[nH]c(CO)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1=O ZINC000902346079 617150021 /nfs/dbraw/zinc/15/00/21/617150021.db2.gz JPYOXSRHYMGLDY-ZWNOBZJWSA-N 1 2 291.351 1.000 20 30 CCEDLO C[C@H](CC(=O)N1CC[C@@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC000972449657 622845910 /nfs/dbraw/zinc/84/59/10/622845910.db2.gz MICULVMUCQECQQ-CHWSQXEVSA-N 1 2 275.356 0.890 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024507026 623342224 /nfs/dbraw/zinc/34/22/24/623342224.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024507026 623342233 /nfs/dbraw/zinc/34/22/33/623342233.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 1 2 293.411 0.309 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532022 623661170 /nfs/dbraw/zinc/66/11/70/623661170.db2.gz OOYQVZVHEVOHPJ-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001007532022 623661179 /nfs/dbraw/zinc/66/11/79/623661179.db2.gz OOYQVZVHEVOHPJ-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000932350401 624498017 /nfs/dbraw/zinc/49/80/17/624498017.db2.gz RXCQCWAEQANTRY-SMDDNHRTSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000932350401 624498019 /nfs/dbraw/zinc/49/80/19/624498019.db2.gz RXCQCWAEQANTRY-SMDDNHRTSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CN(CC#N)C1 ZINC000970147468 624625222 /nfs/dbraw/zinc/62/52/22/624625222.db2.gz WLYUCTNSAPUGKP-NSHDSACASA-N 1 2 283.335 0.908 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)NCCc1ccc(F)cc1 ZINC000121418735 624867782 /nfs/dbraw/zinc/86/77/82/624867782.db2.gz HZPNETNFDBYAQE-JTQLQIEISA-N 1 2 297.330 0.544 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515215 625932855 /nfs/dbraw/zinc/93/28/55/625932855.db2.gz XBMJEXQOLWDISN-CYBMUJFWSA-N 1 2 275.356 0.720 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(CC#N)CC1(C)C ZINC000977456831 625940407 /nfs/dbraw/zinc/94/04/07/625940407.db2.gz VUXUYJRAQKSARM-LBPRGKRZSA-N 1 2 275.356 0.313 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652893 630835436 /nfs/dbraw/zinc/83/54/36/630835436.db2.gz VEEIUIYQLVLFDP-GFCCVEGCSA-N 1 2 275.356 0.409 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652894 630835459 /nfs/dbraw/zinc/83/54/59/630835459.db2.gz VEEIUIYQLVLFDP-LBPRGKRZSA-N 1 2 275.356 0.409 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472775 631281630 /nfs/dbraw/zinc/28/16/30/631281630.db2.gz SAUWCXHJLNZKMK-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000968359919 650012437 /nfs/dbraw/zinc/01/24/37/650012437.db2.gz DNTLSLQZKHHTGB-PWSUYJOCSA-N 1 2 261.329 0.302 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)CCCN1O ZINC000895159821 631992875 /nfs/dbraw/zinc/99/28/75/631992875.db2.gz ISNUDKSXRANHRM-VIFPVBQESA-N 1 2 299.352 0.658 20 30 CCEDLO COc1ncc(C[NH2+][C@@H]2CCCN(O)C2=O)s1 ZINC000895158492 631993009 /nfs/dbraw/zinc/99/30/09/631993009.db2.gz KMRUOPUCRDDRDE-MRVPVSSYSA-N 1 2 257.315 0.622 20 30 CCEDLO C[C@@H]1C[N@H+](CC/N=C/c2ccc(O)c(O)c2O)CCO1 ZINC000750950436 632359743 /nfs/dbraw/zinc/35/97/43/632359743.db2.gz VHEZJQQYLMZBGL-XBLUXWHVSA-N 1 2 280.324 0.943 20 30 CCEDLO C[C@@H]1C[N@@H+](CC/N=C/c2ccc(O)c(O)c2O)CCO1 ZINC000750950436 632359748 /nfs/dbraw/zinc/35/97/48/632359748.db2.gz VHEZJQQYLMZBGL-XBLUXWHVSA-N 1 2 280.324 0.943 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC000989579677 633332180 /nfs/dbraw/zinc/33/21/80/633332180.db2.gz GYOPTUBYIUYCBI-UHFFFAOYSA-N 1 2 278.331 0.649 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC000989579677 633332184 /nfs/dbraw/zinc/33/21/84/633332184.db2.gz GYOPTUBYIUYCBI-UHFFFAOYSA-N 1 2 278.331 0.649 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000989654767 633339207 /nfs/dbraw/zinc/33/92/07/633339207.db2.gz MUTLBKKATGPKQA-UHFFFAOYSA-N 1 2 290.323 0.089 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000989654767 633339210 /nfs/dbraw/zinc/33/92/10/633339210.db2.gz MUTLBKKATGPKQA-UHFFFAOYSA-N 1 2 290.323 0.089 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)C2)C1 ZINC001008437541 650114678 /nfs/dbraw/zinc/11/46/78/650114678.db2.gz NUKUUMSBNYUYNX-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)C2)C1 ZINC001008437541 650114679 /nfs/dbraw/zinc/11/46/79/650114679.db2.gz NUKUUMSBNYUYNX-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008490916 650117190 /nfs/dbraw/zinc/11/71/90/650117190.db2.gz WHBZNPRPELZNDL-VXGBXAGGSA-N 1 2 287.367 0.934 20 30 CCEDLO C=CCN(CCOC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907697536 635188099 /nfs/dbraw/zinc/18/80/99/635188099.db2.gz AAQKNDRVJSYKBB-WYMLVPIESA-N 1 2 282.384 0.926 20 30 CCEDLO C=CCN(CCOC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907697535 635188207 /nfs/dbraw/zinc/18/82/07/635188207.db2.gz AAQKNDRVJSYKBB-OWBHPGMISA-N 1 2 282.384 0.926 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456817 650230200 /nfs/dbraw/zinc/23/02/00/650230200.db2.gz IVQJFLAZKDXYCJ-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456817 650230207 /nfs/dbraw/zinc/23/02/07/650230207.db2.gz IVQJFLAZKDXYCJ-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001010734524 650259004 /nfs/dbraw/zinc/25/90/04/650259004.db2.gz UXRVWCITKCQXGA-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001010734524 650259006 /nfs/dbraw/zinc/25/90/06/650259006.db2.gz UXRVWCITKCQXGA-LLVKDONJSA-N 1 2 259.309 0.615 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)CC3(C#N)CC3)CC[NH2+]2)cn1 ZINC000913460218 636813694 /nfs/dbraw/zinc/81/36/94/636813694.db2.gz MYCVJSFEZXURCB-GFCCVEGCSA-N 1 2 273.340 0.587 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC[NH2+]2)cn1 ZINC000913464669 636818638 /nfs/dbraw/zinc/81/86/38/636818638.db2.gz WVSFYHMLCYVDTQ-ZDUSSCGKSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[NH2+]2)cn1 ZINC000913465825 636818896 /nfs/dbraw/zinc/81/88/96/636818896.db2.gz BNROBDHMWOULDM-CYBMUJFWSA-N 1 2 284.323 0.407 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)C3(C#N)CCC3)CC[NH2+]2)cn1 ZINC000913469684 636821497 /nfs/dbraw/zinc/82/14/97/636821497.db2.gz SQRJZLWJOKRPGE-GFCCVEGCSA-N 1 2 273.340 0.587 20 30 CCEDLO C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525207 636833569 /nfs/dbraw/zinc/83/35/69/636833569.db2.gz NRLVGHIEVBABHN-FZMZJTMJSA-N 1 2 274.368 0.757 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)/N=C\c1ccc(O)c(O)c1O ZINC000915979767 637882396 /nfs/dbraw/zinc/88/23/96/637882396.db2.gz SIWNCWLOTJVWLA-IIBSKXHVSA-N 1 2 280.324 0.943 20 30 CCEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)c(C#N)c1 ZINC000921411608 638178816 /nfs/dbraw/zinc/17/88/16/638178816.db2.gz VEXVBDXRZXJANS-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)c(C#N)c1 ZINC000921411608 638178820 /nfs/dbraw/zinc/17/88/20/638178820.db2.gz VEXVBDXRZXJANS-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1NCC#N ZINC000939642610 638385268 /nfs/dbraw/zinc/38/52/68/638385268.db2.gz LMCWGTGAWAGWCR-YPMHNXCESA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000942084659 638613670 /nfs/dbraw/zinc/61/36/70/638613670.db2.gz DKETUFDCRDPOKG-LLVKDONJSA-N 1 2 289.339 0.173 20 30 CCEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943755308 638740961 /nfs/dbraw/zinc/74/09/61/638740961.db2.gz BMLHKNKLDZLDDI-GHMZBOCLSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097312 638762065 /nfs/dbraw/zinc/76/20/65/638762065.db2.gz GQFXFQZBPRLBQV-WCQYABFASA-N 1 2 275.356 0.313 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995559700 638777206 /nfs/dbraw/zinc/77/72/06/638777206.db2.gz KOTMRGUUIMJLCF-GXSJLCMTSA-N 1 2 291.355 0.864 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001000567900 639121233 /nfs/dbraw/zinc/12/12/33/639121233.db2.gz ARJXRSVJZZKORJ-UHFFFAOYSA-N 1 2 288.351 0.636 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(CC#N)C2)c[nH+]1 ZINC001014922237 650503791 /nfs/dbraw/zinc/50/37/91/650503791.db2.gz ZUMGMUHAGKFTJY-GFCCVEGCSA-N 1 2 275.356 0.641 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014925865 650503868 /nfs/dbraw/zinc/50/38/68/650503868.db2.gz SJZOPBNCWDLPFA-LBPRGKRZSA-N 1 2 298.408 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014925865 650503870 /nfs/dbraw/zinc/50/38/70/650503870.db2.gz SJZOPBNCWDLPFA-LBPRGKRZSA-N 1 2 298.408 0.188 20 30 CCEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001004390657 639788670 /nfs/dbraw/zinc/78/86/70/639788670.db2.gz VVKGUMAROLGJFZ-GFCCVEGCSA-N 1 2 278.356 0.088 20 30 CCEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001004390657 639788673 /nfs/dbraw/zinc/78/86/73/639788673.db2.gz VVKGUMAROLGJFZ-GFCCVEGCSA-N 1 2 278.356 0.088 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001015076652 650526060 /nfs/dbraw/zinc/52/60/60/650526060.db2.gz IAFOABOPIXPRJK-SNVBAGLBSA-N 1 2 260.341 0.889 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001015076652 650526063 /nfs/dbraw/zinc/52/60/63/650526063.db2.gz IAFOABOPIXPRJK-SNVBAGLBSA-N 1 2 260.341 0.889 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000801927359 640676828 /nfs/dbraw/zinc/67/68/28/640676828.db2.gz NZYAHQDSSOOSQM-GRYCIOLGSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000801927359 640676835 /nfs/dbraw/zinc/67/68/35/640676835.db2.gz NZYAHQDSSOOSQM-GRYCIOLGSA-N 1 2 251.330 0.658 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000806436083 640783603 /nfs/dbraw/zinc/78/36/03/640783603.db2.gz ALFAUKIAXQLEJW-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681519 650607945 /nfs/dbraw/zinc/60/79/45/650607945.db2.gz KKOJHRWSWUNGHD-LLVKDONJSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001015681519 650607947 /nfs/dbraw/zinc/60/79/47/650607947.db2.gz KKOJHRWSWUNGHD-LLVKDONJSA-N 1 2 295.770 0.942 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000809572912 640899688 /nfs/dbraw/zinc/89/96/88/640899688.db2.gz AJOSERJZPYGBDI-CQSZACIVSA-N 1 2 270.336 0.955 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001015783834 650629488 /nfs/dbraw/zinc/62/94/88/650629488.db2.gz VZQVDQRWZBWIDJ-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001015783834 650629489 /nfs/dbraw/zinc/62/94/89/650629489.db2.gz VZQVDQRWZBWIDJ-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@H]3CCN(CC#N)C3)[nH+]c12 ZINC001015842704 650639281 /nfs/dbraw/zinc/63/92/81/650639281.db2.gz HUZVHCROAHWSFK-ZDUSSCGKSA-N 1 2 297.362 0.899 20 30 CCEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(N)[nH+]c2)c1=O ZINC000821039042 641558563 /nfs/dbraw/zinc/55/85/63/641558563.db2.gz OICCTKHTILSJHZ-DUXPYHPUSA-N 1 2 272.264 0.359 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016347822 650720644 /nfs/dbraw/zinc/72/06/44/650720644.db2.gz KPQGWYQHCHTKTI-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001016347822 650720646 /nfs/dbraw/zinc/72/06/46/650720646.db2.gz KPQGWYQHCHTKTI-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121424779 642669672 /nfs/dbraw/zinc/66/96/72/642669672.db2.gz RYEPRONONHAVSR-MNOVXSKESA-N 1 2 271.361 0.695 20 30 CCEDLO Cc1nc(N2CCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC000837534388 642750378 /nfs/dbraw/zinc/75/03/78/642750378.db2.gz SFJARHVYAZZBJI-UHFFFAOYSA-N 1 2 270.336 0.847 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C#CC1CC1 ZINC000837584918 642756057 /nfs/dbraw/zinc/75/60/57/642756057.db2.gz VPKXWUGZUMZUJL-LBPRGKRZSA-N 1 2 250.342 0.579 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCO1 ZINC001017326461 650794783 /nfs/dbraw/zinc/79/47/83/650794783.db2.gz DLMURZOVSQDOKN-TXEJJXNPSA-N 1 2 262.309 0.183 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCO1 ZINC001017326461 650794788 /nfs/dbraw/zinc/79/47/88/650794788.db2.gz DLMURZOVSQDOKN-TXEJJXNPSA-N 1 2 262.309 0.183 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(CC)c[nH]1 ZINC001017628542 650813962 /nfs/dbraw/zinc/81/39/62/650813962.db2.gz BRVZWAGGGJZERT-OKILXGFUSA-N 1 2 286.379 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(CC)c[nH]1 ZINC001017628542 650813963 /nfs/dbraw/zinc/81/39/63/650813963.db2.gz BRVZWAGGGJZERT-OKILXGFUSA-N 1 2 286.379 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(=O)[nH]c1 ZINC001017743500 650819808 /nfs/dbraw/zinc/81/98/08/650819808.db2.gz KGMCHPGEEWJJCM-OKILXGFUSA-N 1 2 285.347 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(=O)[nH]c1 ZINC001017743500 650819809 /nfs/dbraw/zinc/81/98/09/650819809.db2.gz KGMCHPGEEWJJCM-OKILXGFUSA-N 1 2 285.347 0.638 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC1 ZINC000844459239 643219034 /nfs/dbraw/zinc/21/90/34/643219034.db2.gz QXQNQDZGLRIGQO-DTORHVGOSA-N 1 2 255.268 0.746 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC1 ZINC000844459239 643219041 /nfs/dbraw/zinc/21/90/41/643219041.db2.gz QXQNQDZGLRIGQO-DTORHVGOSA-N 1 2 255.268 0.746 20 30 CCEDLO C[C@H](CC(=O)OCC(=O)NCC#N)n1cc[nH+]c1 ZINC000845281985 643298426 /nfs/dbraw/zinc/29/84/26/643298426.db2.gz PPXQFDYLNGOTCI-SECBINFHSA-N 1 2 250.258 0.017 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C(N)=O)c1 ZINC001018271269 650851391 /nfs/dbraw/zinc/85/13/91/650851391.db2.gz YHYCOYQCVAYFRU-TXEJJXNPSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C(N)=O)c1 ZINC001018271269 650851392 /nfs/dbraw/zinc/85/13/92/650851392.db2.gz YHYCOYQCVAYFRU-TXEJJXNPSA-N 1 2 286.335 0.036 20 30 CCEDLO C=CC[N@@H+](CCOC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000851841174 643890667 /nfs/dbraw/zinc/89/06/67/643890667.db2.gz NRMNTRWDPFMSQN-SECBINFHSA-N 1 2 269.313 0.901 20 30 CCEDLO C=CC[N@H+](CCOC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000851841174 643890668 /nfs/dbraw/zinc/89/06/68/643890668.db2.gz NRMNTRWDPFMSQN-SECBINFHSA-N 1 2 269.313 0.901 20 30 CCEDLO CC[C@H](CC#N)[NH2+]C[C@](O)(C(N)=O)c1ccccc1 ZINC000852156117 643936615 /nfs/dbraw/zinc/93/66/15/643936615.db2.gz IVUNYJGGSTZBOG-TZMCWYRMSA-N 1 2 261.325 0.641 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018629840 650886574 /nfs/dbraw/zinc/88/65/74/650886574.db2.gz BBUFHAJUQKQXLT-SCZZXKLOSA-N 1 2 263.301 0.228 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000853607706 644129372 /nfs/dbraw/zinc/12/93/72/644129372.db2.gz TWLLWEKFAWCHBV-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000853607706 644129374 /nfs/dbraw/zinc/12/93/74/644129374.db2.gz TWLLWEKFAWCHBV-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866399152 645527178 /nfs/dbraw/zinc/52/71/78/645527178.db2.gz SULKUVYWBYRUHD-DGCLKSJQSA-N 1 2 275.352 0.981 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)CCCOC1 ZINC000867931061 645683177 /nfs/dbraw/zinc/68/31/77/645683177.db2.gz JVTAVSMOQUBESN-HIFRSBDPSA-N 1 2 295.383 0.486 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)C(=O)NOc1cccc(C#N)c1 ZINC000870691510 646017927 /nfs/dbraw/zinc/01/79/27/646017927.db2.gz NPQKPNRAHNHSJF-GFCCVEGCSA-N 1 2 289.335 0.937 20 30 CCEDLO N#Cc1ccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)nc1 ZINC000875516266 646535410 /nfs/dbraw/zinc/53/54/10/646535410.db2.gz QJIFSFLPMFRZFJ-GFCCVEGCSA-N 1 2 282.307 0.574 20 30 CCEDLO N#C[C@@]1(C(=O)NCCNc2cccc[nH+]2)CCCOC1 ZINC000878081301 646867658 /nfs/dbraw/zinc/86/76/58/646867658.db2.gz JCMRKVSGCZWESJ-AWEZNQCLSA-N 1 2 274.324 0.930 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC000879223018 647036825 /nfs/dbraw/zinc/03/68/25/647036825.db2.gz QZRDYQJZBVPADG-MNOVXSKESA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC000879223018 647036831 /nfs/dbraw/zinc/03/68/31/647036831.db2.gz QZRDYQJZBVPADG-MNOVXSKESA-N 1 2 296.371 0.614 20 30 CCEDLO C#C[C@H](CCC)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882133111 647374499 /nfs/dbraw/zinc/37/44/99/647374499.db2.gz DWRHPXAVEFDCHW-LLVKDONJSA-N 1 2 255.343 0.604 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(F)cc(F)c2O)N1 ZINC000884447706 647740128 /nfs/dbraw/zinc/74/01/28/647740128.db2.gz GZEVFXNHKFUDBY-LURJTMIESA-N 1 2 254.240 0.942 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000887690051 648143735 /nfs/dbraw/zinc/14/37/35/648143735.db2.gz FARAAKBHRGBGDY-ZDUSSCGKSA-N 1 2 260.297 0.635 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)CO)CC2)cc1 ZINC000929236014 648716333 /nfs/dbraw/zinc/71/63/33/648716333.db2.gz ILWLAORTDOPRGA-OAHLLOKOSA-N 1 2 275.352 0.029 20 30 CCEDLO N#CCCN(CCO[C@@H]1CCOC1)CC[NH+]1CCOCC1 ZINC000929775343 648789150 /nfs/dbraw/zinc/78/91/50/648789150.db2.gz XIEDAPSEAOLTTD-OAHLLOKOSA-N 1 2 297.399 0.340 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000932152232 649054275 /nfs/dbraw/zinc/05/42/75/649054275.db2.gz OOFOCKUTYMVWLO-CHWSQXEVSA-N 1 2 268.357 0.514 20 30 CCEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000932152232 649054277 /nfs/dbraw/zinc/05/42/77/649054277.db2.gz OOFOCKUTYMVWLO-CHWSQXEVSA-N 1 2 268.357 0.514 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N(CC)CC(=O)NC(C)C ZINC000934509912 649177795 /nfs/dbraw/zinc/17/77/95/649177795.db2.gz RZEGTHNDXCXFDH-AWEZNQCLSA-N 1 2 293.411 0.847 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N(CC)CC(=O)NC(C)C ZINC000934509912 649177798 /nfs/dbraw/zinc/17/77/98/649177798.db2.gz RZEGTHNDXCXFDH-AWEZNQCLSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001006430176 649370295 /nfs/dbraw/zinc/37/02/95/649370295.db2.gz WPBYNOQRLNEUNU-CYBMUJFWSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561960 805623333 /nfs/dbraw/zinc/62/33/33/805623333.db2.gz JXWWOPKWXIEUKF-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561960 805623338 /nfs/dbraw/zinc/62/33/38/805623338.db2.gz JXWWOPKWXIEUKF-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001266272652 790373129 /nfs/dbraw/zinc/37/31/29/790373129.db2.gz ZYOPOOSUGZAEGV-OAHLLOKOSA-N 1 2 292.383 0.660 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001266272652 790373143 /nfs/dbraw/zinc/37/31/43/790373143.db2.gz ZYOPOOSUGZAEGV-OAHLLOKOSA-N 1 2 292.383 0.660 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001266311021 790486851 /nfs/dbraw/zinc/48/68/51/790486851.db2.gz PPVVXKFJVZGPJC-LLVKDONJSA-N 1 2 250.342 0.815 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001266311021 790486855 /nfs/dbraw/zinc/48/68/55/790486855.db2.gz PPVVXKFJVZGPJC-LLVKDONJSA-N 1 2 250.342 0.815 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001266353571 790573052 /nfs/dbraw/zinc/57/30/52/790573052.db2.gz XUGHJAYLUNAAJK-NSHDSACASA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001266353571 790573057 /nfs/dbraw/zinc/57/30/57/790573057.db2.gz XUGHJAYLUNAAJK-NSHDSACASA-N 1 2 287.791 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(N)=O ZINC001266498906 790794280 /nfs/dbraw/zinc/79/42/80/790794280.db2.gz IICKMUCDHLXOBH-BETUJISGSA-N 1 2 277.368 0.341 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(N)=O ZINC001266498906 790794285 /nfs/dbraw/zinc/79/42/85/790794285.db2.gz IICKMUCDHLXOBH-BETUJISGSA-N 1 2 277.368 0.341 20 30 CCEDLO Cc1nonc1C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125390846 790873199 /nfs/dbraw/zinc/87/31/99/790873199.db2.gz GESCQZNSHNTTAI-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230710553 805655867 /nfs/dbraw/zinc/65/58/67/805655867.db2.gz OVWBWIAUHCLYNI-GFCCVEGCSA-N 1 2 270.398 0.532 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSC ZINC001230710553 805655870 /nfs/dbraw/zinc/65/58/70/805655870.db2.gz OVWBWIAUHCLYNI-GFCCVEGCSA-N 1 2 270.398 0.532 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230714518 805655966 /nfs/dbraw/zinc/65/59/66/805655966.db2.gz DUELNZLVDXFTEV-CQSZACIVSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230714518 805655970 /nfs/dbraw/zinc/65/59/70/805655970.db2.gz DUELNZLVDXFTEV-CQSZACIVSA-N 1 2 290.367 0.216 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230802619 805669140 /nfs/dbraw/zinc/66/91/40/805669140.db2.gz KELGBGPCJJVOQJ-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230802619 805669144 /nfs/dbraw/zinc/66/91/44/805669144.db2.gz KELGBGPCJJVOQJ-STQMWFEESA-N 1 2 279.384 0.313 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231245872 805759881 /nfs/dbraw/zinc/75/98/81/805759881.db2.gz BPHUNOKOVGDLDO-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231245872 805759887 /nfs/dbraw/zinc/75/98/87/805759887.db2.gz BPHUNOKOVGDLDO-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cnco2)C3)C1 ZINC001277554115 805844322 /nfs/dbraw/zinc/84/43/22/805844322.db2.gz UNPBCISKXFWYDI-CYBMUJFWSA-N 1 2 286.335 0.869 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001277580060 805863646 /nfs/dbraw/zinc/86/36/46/805863646.db2.gz BUARNKRIWJTYAZ-UHFFFAOYSA-N 1 2 288.351 0.845 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CCC)NC(N)=O)C1 ZINC001277686163 805961324 /nfs/dbraw/zinc/96/13/24/805961324.db2.gz CSHJOYKKQZQPAH-GFCCVEGCSA-N 1 2 282.388 0.542 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001233082827 806020358 /nfs/dbraw/zinc/02/03/58/806020358.db2.gz JOJQGNBRLCQKJI-UHFFFAOYSA-N 1 2 284.363 0.483 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001266932129 791366345 /nfs/dbraw/zinc/36/63/45/791366345.db2.gz FMWVYMLFBZBTRO-JOYOIKCWSA-N 1 2 284.385 0.460 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1CC=CCC1)CC(=O)NCC#N ZINC001267184003 791634865 /nfs/dbraw/zinc/63/48/65/791634865.db2.gz LYVZDXWJKIWBFG-LBPRGKRZSA-N 1 2 278.356 0.030 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1CC=CCC1)CC(=O)NCC#N ZINC001267184003 791634872 /nfs/dbraw/zinc/63/48/72/791634872.db2.gz LYVZDXWJKIWBFG-LBPRGKRZSA-N 1 2 278.356 0.030 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179465 806197582 /nfs/dbraw/zinc/19/75/82/806197582.db2.gz VFJPDRBQUGKVKK-CQSZACIVSA-N 1 2 291.395 0.411 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179465 806197584 /nfs/dbraw/zinc/19/75/84/806197584.db2.gz VFJPDRBQUGKVKK-CQSZACIVSA-N 1 2 291.395 0.411 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001234414977 806240718 /nfs/dbraw/zinc/24/07/18/806240718.db2.gz QNWVDSFGTSGTKM-LZWOXQAQSA-N 1 2 292.379 0.205 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001234414977 806240727 /nfs/dbraw/zinc/24/07/27/806240727.db2.gz QNWVDSFGTSGTKM-LZWOXQAQSA-N 1 2 292.379 0.205 20 30 CCEDLO C[NH+]1CC(Oc2[nH]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511728 806265157 /nfs/dbraw/zinc/26/51/57/806265157.db2.gz UPRMBGFFVJQWBT-UHFFFAOYSA-N 1 2 256.265 0.900 20 30 CCEDLO CN(C)C(=O)CN1CCC12C[NH+](CCCC#N)C2 ZINC001277942780 806415441 /nfs/dbraw/zinc/41/54/41/806415441.db2.gz DAEIQNGGCPFIQP-UHFFFAOYSA-N 1 2 250.346 0.138 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCCO1 ZINC001237468763 806670637 /nfs/dbraw/zinc/67/06/37/806670637.db2.gz LXUVSIMHPSROQH-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCCO1 ZINC001237468763 806670643 /nfs/dbraw/zinc/67/06/43/806670643.db2.gz LXUVSIMHPSROQH-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO C=C(CO)C(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001120705942 798917967 /nfs/dbraw/zinc/91/79/67/798917967.db2.gz LXGSMNIJEWKEBL-NWDGAFQWSA-N 1 2 292.339 0.019 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1cncc(C#N)n1 ZINC001120712579 798920201 /nfs/dbraw/zinc/92/02/01/798920201.db2.gz ONZBFMRQPAEUTP-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001123714092 799459274 /nfs/dbraw/zinc/45/92/74/799459274.db2.gz OSOFXGWEEAKBOK-UHFFFAOYSA-N 1 2 295.383 0.819 20 30 CCEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001123714092 799459276 /nfs/dbraw/zinc/45/92/76/799459276.db2.gz OSOFXGWEEAKBOK-UHFFFAOYSA-N 1 2 295.383 0.819 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001124764771 799633777 /nfs/dbraw/zinc/63/37/77/799633777.db2.gz CHTLQMZFPBGZCI-UHFFFAOYSA-N 1 2 282.344 0.601 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(C#N)c1 ZINC001137699843 799682598 /nfs/dbraw/zinc/68/25/98/799682598.db2.gz XDYLNYCEINCRPL-DOMZBBRYSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(C#N)c1 ZINC001137699843 799682603 /nfs/dbraw/zinc/68/26/03/799682603.db2.gz XDYLNYCEINCRPL-DOMZBBRYSA-N 1 2 276.336 0.742 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001139686937 799829963 /nfs/dbraw/zinc/82/99/63/799829963.db2.gz IDTBBCKLLKGOAF-GXFFZTMASA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001139686937 799829972 /nfs/dbraw/zinc/82/99/72/799829972.db2.gz IDTBBCKLLKGOAF-GXFFZTMASA-N 1 2 266.728 0.997 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001278235167 806784652 /nfs/dbraw/zinc/78/46/52/806784652.db2.gz VTGJGTSFZLKLIF-WDEREUQCSA-N 1 2 278.360 0.255 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142218405 800100260 /nfs/dbraw/zinc/10/02/60/800100260.db2.gz AUMWOUCJFQDHFD-GFCCVEGCSA-N 1 2 290.392 0.430 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001142218405 800100264 /nfs/dbraw/zinc/10/02/64/800100264.db2.gz AUMWOUCJFQDHFD-GFCCVEGCSA-N 1 2 290.392 0.430 20 30 CCEDLO N#CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001142461450 800123566 /nfs/dbraw/zinc/12/35/66/800123566.db2.gz VLYIHDSCXNQECC-NXEZZACHSA-N 1 2 256.269 0.872 20 30 CCEDLO N#CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001142461450 800123570 /nfs/dbraw/zinc/12/35/70/800123570.db2.gz VLYIHDSCXNQECC-NXEZZACHSA-N 1 2 256.269 0.872 20 30 CCEDLO Cc1nccn1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001151147774 800403617 /nfs/dbraw/zinc/40/36/17/800403617.db2.gz VRUANDGMYHVOEP-UHFFFAOYSA-N 1 2 297.362 0.969 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001154525664 800794336 /nfs/dbraw/zinc/79/43/36/800794336.db2.gz RNIJMPLRYPBCMP-SECBINFHSA-N 1 2 272.264 0.519 20 30 CCEDLO CC(C)c1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155827938 801059668 /nfs/dbraw/zinc/05/96/68/801059668.db2.gz IHLZLUIJCPQFKD-JTQLQIEISA-N 1 2 279.344 0.949 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001156327616 801151067 /nfs/dbraw/zinc/15/10/67/801151067.db2.gz HZOFEBADADYOOE-ZDUSSCGKSA-N 1 2 285.351 0.619 20 30 CCEDLO C=C(C)C(=O)NCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001156820602 801241194 /nfs/dbraw/zinc/24/11/94/801241194.db2.gz PXNYLUMDJDAADN-UHFFFAOYSA-N 1 2 278.360 0.740 20 30 CCEDLO N#Cc1n[nH]cc1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156965118 801274095 /nfs/dbraw/zinc/27/40/95/801274095.db2.gz ZJBKRMILWUSNPM-UHFFFAOYSA-N 1 2 267.252 0.992 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156974954 801276655 /nfs/dbraw/zinc/27/66/55/801276655.db2.gz CLMPWSVXJIDOBO-VIFPVBQESA-N 1 2 294.336 0.346 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)C(C)C ZINC001156973276 801277342 /nfs/dbraw/zinc/27/73/42/801277342.db2.gz LOLJGMAGYXBCDH-GFCCVEGCSA-N 1 2 288.413 0.269 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)C(C)C ZINC001156973276 801277344 /nfs/dbraw/zinc/27/73/44/801277344.db2.gz LOLJGMAGYXBCDH-GFCCVEGCSA-N 1 2 288.413 0.269 20 30 CCEDLO C=CCOc1cc(C)nc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001157934200 801530889 /nfs/dbraw/zinc/53/08/89/801530889.db2.gz ROXDSLSIBMGEIQ-UHFFFAOYSA-N 1 2 262.273 0.095 20 30 CCEDLO Cc1c[nH+]c(NCCS(=O)(=O)N(C)C)c(/C=N/O)c1 ZINC001158028627 801556170 /nfs/dbraw/zinc/55/61/70/801556170.db2.gz FHSUCUMIHNOYMZ-RIYZIHGNSA-N 1 2 286.357 0.501 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(Cl)nc2C#N)C[NH2+]1 ZINC001158253948 801603547 /nfs/dbraw/zinc/60/35/47/801603547.db2.gz KOPYYNXCKNDPDQ-RQJHMYQMSA-N 1 2 281.703 0.317 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@@H]1COCC[N@H+]1C ZINC001158706962 801689265 /nfs/dbraw/zinc/68/92/65/801689265.db2.gz GDSMRRFZRYWQAO-GFCCVEGCSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1cccnc1NC[C@@H]1COCC[N@@H+]1C ZINC001158706962 801689274 /nfs/dbraw/zinc/68/92/74/801689274.db2.gz GDSMRRFZRYWQAO-GFCCVEGCSA-N 1 2 290.367 0.740 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC001158860673 801714994 /nfs/dbraw/zinc/71/49/94/801714994.db2.gz IHAZSDFWUVWKRQ-LBPRGKRZSA-N 1 2 252.277 0.614 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nccnc1C#N ZINC001162848923 802427126 /nfs/dbraw/zinc/42/71/26/802427126.db2.gz IBIJHWRSIKBSJB-QMMMGPOBSA-N 1 2 263.301 0.429 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162855498 802430266 /nfs/dbraw/zinc/43/02/66/802430266.db2.gz FSPGZFHIJGCWBU-JTQLQIEISA-N 1 2 277.328 0.738 20 30 CCEDLO C[C@H](CC(=O)N(C)C[C@@H]1CCN1CC#N)n1cc[nH+]c1 ZINC001264372478 809644462 /nfs/dbraw/zinc/64/44/62/809644462.db2.gz GFZQJXVZNCKSGB-OLZOCXBDSA-N 1 2 275.356 0.890 20 30 CCEDLO N#CCc1cncc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164497357 802749713 /nfs/dbraw/zinc/74/97/13/802749713.db2.gz GJLCDOZBPPEOAX-UHFFFAOYSA-N 1 2 253.256 0.588 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)cn1 ZINC001164641943 802774522 /nfs/dbraw/zinc/77/45/22/802774522.db2.gz QAUBAMJGEUNVMZ-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H](F)Oc1cncc(Cl)n1 ZINC001164661744 802776838 /nfs/dbraw/zinc/77/68/38/802776838.db2.gz NPSHKOMLCFAUGI-GMSGAONNSA-N 1 2 271.683 0.559 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001165922001 802875546 /nfs/dbraw/zinc/87/55/46/802875546.db2.gz YEZFXIRORNWQAM-ZDUSSCGKSA-N 1 2 280.376 0.408 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001268299626 812460297 /nfs/dbraw/zinc/46/02/97/812460297.db2.gz JLYQBPUTHCWBHF-QGZVFWFLSA-N 1 2 298.386 0.804 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSC)C1 ZINC001205838477 803178354 /nfs/dbraw/zinc/17/83/54/803178354.db2.gz BYFDEEMMMDALIR-GHMZBOCLSA-N 1 2 285.413 0.088 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CSC)C1 ZINC001205838477 803178358 /nfs/dbraw/zinc/17/83/58/803178358.db2.gz BYFDEEMMMDALIR-GHMZBOCLSA-N 1 2 285.413 0.088 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206392362 803238245 /nfs/dbraw/zinc/23/82/45/803238245.db2.gz GUNFKSAHMAYYGO-WNIKWDQDSA-N 1 2 292.383 0.419 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206392362 803238251 /nfs/dbraw/zinc/23/82/51/803238251.db2.gz GUNFKSAHMAYYGO-WNIKWDQDSA-N 1 2 292.383 0.419 20 30 CCEDLO N#Cc1ccc(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)cc1F ZINC001207581853 803422648 /nfs/dbraw/zinc/42/26/48/803422648.db2.gz RYMAIUSKMCQWAV-UHFFFAOYSA-N 1 2 298.281 0.718 20 30 CCEDLO COc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001168265494 814951582 /nfs/dbraw/zinc/95/15/82/814951582.db2.gz ZNQHEPHMFWXNEV-UONOGXRCSA-N 1 2 257.337 0.960 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@H](OC)C1 ZINC001213278389 803688951 /nfs/dbraw/zinc/68/89/51/803688951.db2.gz XNSYDOYCWFGKGM-IJLUTSLNSA-N 1 2 256.321 0.573 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)[C@H](OC)C1 ZINC001213278389 803688952 /nfs/dbraw/zinc/68/89/52/803688952.db2.gz XNSYDOYCWFGKGM-IJLUTSLNSA-N 1 2 256.321 0.573 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)[C@H](OC)C1 ZINC001213775028 803702608 /nfs/dbraw/zinc/70/26/08/803702608.db2.gz XIJAQJBWIXOYQW-HUUCEWRRSA-N 1 2 288.347 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COc2ccccc2)[C@H](OC)C1 ZINC001213775028 803702610 /nfs/dbraw/zinc/70/26/10/803702610.db2.gz XIJAQJBWIXOYQW-HUUCEWRRSA-N 1 2 288.347 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(F)F)[C@H]2C1 ZINC001218321132 803948443 /nfs/dbraw/zinc/94/84/43/803948443.db2.gz ZJZCMFSHYQROBF-SDDRHHMPSA-N 1 2 286.322 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(F)F)[C@H]2C1 ZINC001218321132 803948449 /nfs/dbraw/zinc/94/84/49/803948449.db2.gz ZJZCMFSHYQROBF-SDDRHHMPSA-N 1 2 286.322 0.823 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041418 814984057 /nfs/dbraw/zinc/98/40/57/814984057.db2.gz OYCYFSFAFLLZIS-YUSALJHKSA-N 1 2 294.380 0.618 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041418 814984064 /nfs/dbraw/zinc/98/40/64/814984064.db2.gz OYCYFSFAFLLZIS-YUSALJHKSA-N 1 2 294.380 0.618 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1cc(=O)[nH]c(SC)n1 ZINC001218583477 804020143 /nfs/dbraw/zinc/02/01/43/804020143.db2.gz BORHUAKWNBMFNY-JTQLQIEISA-N 1 2 252.299 0.193 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H](O)C1 ZINC001219787168 804423492 /nfs/dbraw/zinc/42/34/92/804423492.db2.gz TVWHUZAMBQWHKF-ZJUUUORDSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H](O)C1 ZINC001219787168 804423495 /nfs/dbraw/zinc/42/34/95/804423495.db2.gz TVWHUZAMBQWHKF-ZJUUUORDSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@@H](O)C1 ZINC001219915426 804447116 /nfs/dbraw/zinc/44/71/16/804447116.db2.gz KKUQBZQBAJBUEH-YUTCNCBUSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@@H](O)C1 ZINC001219915426 804447122 /nfs/dbraw/zinc/44/71/22/804447122.db2.gz KKUQBZQBAJBUEH-YUTCNCBUSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220190426 804532517 /nfs/dbraw/zinc/53/25/17/804532517.db2.gz LYEGFENCBKTZQN-XQQFMLRXSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220190426 804532522 /nfs/dbraw/zinc/53/25/22/804532522.db2.gz LYEGFENCBKTZQN-XQQFMLRXSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)[C@@H](O)C1 ZINC001220278823 804559785 /nfs/dbraw/zinc/55/97/85/804559785.db2.gz MAEDTNQZQJEJKR-OLZOCXBDSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)[C@@H](O)C1 ZINC001220278823 804559791 /nfs/dbraw/zinc/55/97/91/804559791.db2.gz MAEDTNQZQJEJKR-OLZOCXBDSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)[C@@H](O)C1 ZINC001220311178 804569946 /nfs/dbraw/zinc/56/99/46/804569946.db2.gz QZGNHYLDHYSSDA-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC)CC2)[C@@H](O)C1 ZINC001220311178 804569953 /nfs/dbraw/zinc/56/99/53/804569953.db2.gz QZGNHYLDHYSSDA-NEPJUHHUSA-N 1 2 250.342 0.361 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001221140013 804735711 /nfs/dbraw/zinc/73/57/11/804735711.db2.gz ZAUALKIEUZXEDS-UPJWGTAASA-N 1 2 288.363 0.489 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001221140013 804735715 /nfs/dbraw/zinc/73/57/15/804735715.db2.gz ZAUALKIEUZXEDS-UPJWGTAASA-N 1 2 288.363 0.489 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001221472343 804821709 /nfs/dbraw/zinc/82/17/09/804821709.db2.gz PVGZVOWMBITSKK-SNBRUFEUSA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001221472343 804821714 /nfs/dbraw/zinc/82/17/14/804821714.db2.gz PVGZVOWMBITSKK-SNBRUFEUSA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276833863 804930450 /nfs/dbraw/zinc/93/04/50/804930450.db2.gz HBFKOSAFJHBOAG-ZIAGYGMSSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276833863 804930455 /nfs/dbraw/zinc/93/04/55/804930455.db2.gz HBFKOSAFJHBOAG-ZIAGYGMSSA-N 1 2 291.395 0.649 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001276862791 804952518 /nfs/dbraw/zinc/95/25/18/804952518.db2.gz XTXVSUNRGSLCMM-NEPJUHHUSA-N 1 2 267.373 0.668 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001276862791 804952524 /nfs/dbraw/zinc/95/25/24/804952524.db2.gz XTXVSUNRGSLCMM-NEPJUHHUSA-N 1 2 267.373 0.668 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cnc(C)o1 ZINC001276868073 804957030 /nfs/dbraw/zinc/95/70/30/804957030.db2.gz XXUZALNHDFIOBF-CYBMUJFWSA-N 1 2 291.351 0.366 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cnc(C)o1 ZINC001276868073 804957039 /nfs/dbraw/zinc/95/70/39/804957039.db2.gz XXUZALNHDFIOBF-CYBMUJFWSA-N 1 2 291.351 0.366 20 30 CCEDLO C#CCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001276979297 805049488 /nfs/dbraw/zinc/04/94/88/805049488.db2.gz FBBPNEBJEVTBJT-UHFFFAOYSA-N 1 2 260.341 0.883 20 30 CCEDLO C#CCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001276979297 805049498 /nfs/dbraw/zinc/04/94/98/805049498.db2.gz FBBPNEBJEVTBJT-UHFFFAOYSA-N 1 2 260.341 0.883 20 30 CCEDLO Cc1nnc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001226626272 805258399 /nfs/dbraw/zinc/25/83/99/805258399.db2.gz XAAKVEIOYGJBRU-SECBINFHSA-N 1 2 277.328 0.618 20 30 CCEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)[nH]1 ZINC001226641378 805259234 /nfs/dbraw/zinc/25/92/34/805259234.db2.gz ZKTIJUOZTWWMDB-VHSXEESVSA-N 1 2 290.371 0.914 20 30 CCEDLO C=CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001277173708 805308835 /nfs/dbraw/zinc/30/88/35/805308835.db2.gz GZHIVQHLLINJCG-TXEJJXNPSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001277173708 805308842 /nfs/dbraw/zinc/30/88/42/805308842.db2.gz GZHIVQHLLINJCG-TXEJJXNPSA-N 1 2 280.372 0.119 20 30 CCEDLO C[C@@H](CCCNCC#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001277201027 805341269 /nfs/dbraw/zinc/34/12/69/805341269.db2.gz OHEVWLISXRAWID-NSHDSACASA-N 1 2 263.345 0.740 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001277201026 805342482 /nfs/dbraw/zinc/34/24/82/805342482.db2.gz OHEVWLISXRAWID-LLVKDONJSA-N 1 2 263.345 0.740 20 30 CCEDLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CC(CC#N)C2)C1 ZINC001277231032 805375377 /nfs/dbraw/zinc/37/53/77/805375377.db2.gz HHBUPTASNRBLQL-GDBMZVCRSA-N 1 2 299.378 0.912 20 30 CCEDLO Cc1[nH]ncc1C[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CC(CC#N)C2)C1 ZINC001277231032 805375384 /nfs/dbraw/zinc/37/53/84/805375384.db2.gz HHBUPTASNRBLQL-GDBMZVCRSA-N 1 2 299.378 0.912 20 30 CCEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001277361839 805509291 /nfs/dbraw/zinc/50/92/91/805509291.db2.gz QZHRZTPKFWBOLA-CYBMUJFWSA-N 1 2 285.351 0.604 20 30 CCEDLO C[C@@H](CC(=O)NC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001229384480 805528315 /nfs/dbraw/zinc/52/83/15/805528315.db2.gz GJQNTLKEZUONAJ-LBPRGKRZSA-N 1 2 275.356 0.938 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NCCCOC)CC1 ZINC001245593723 807089731 /nfs/dbraw/zinc/08/97/31/807089731.db2.gz PUIVSPVIWTVBBE-UHFFFAOYSA-N 1 2 257.403 0.701 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@@H](O)C1 ZINC001083467470 815113481 /nfs/dbraw/zinc/11/34/81/815113481.db2.gz BNVOSDFEDIODBK-HZSPNIEDSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@@H](O)C1 ZINC001083467470 815113484 /nfs/dbraw/zinc/11/34/84/815113484.db2.gz BNVOSDFEDIODBK-HZSPNIEDSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](C)Cc1nnc2ccccn21 ZINC001251836210 807716016 /nfs/dbraw/zinc/71/60/16/807716016.db2.gz WJEBTUBUURAMGH-GFCCVEGCSA-N 1 2 274.324 0.172 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](C)Cc1nnc2ccccn21 ZINC001251836210 807716021 /nfs/dbraw/zinc/71/60/21/807716021.db2.gz WJEBTUBUURAMGH-GFCCVEGCSA-N 1 2 274.324 0.172 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001251885409 807734684 /nfs/dbraw/zinc/73/46/84/807734684.db2.gz UXMRTSJSGBZGSQ-NSHDSACASA-N 1 2 259.309 0.663 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001251891687 807737649 /nfs/dbraw/zinc/73/76/49/807737649.db2.gz XMJKOLZDYBTSRZ-KGLIPLIRSA-N 1 2 283.368 0.709 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126833704 815147120 /nfs/dbraw/zinc/14/71/20/815147120.db2.gz AWSGXAWRCCKRLO-UHFFFAOYSA-N 1 2 264.329 0.497 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126834161 815148099 /nfs/dbraw/zinc/14/80/99/815148099.db2.gz LGIPQWUYSPAGOF-JTQLQIEISA-N 1 2 264.329 0.804 20 30 CCEDLO C=CCOC[C@@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252459202 807872468 /nfs/dbraw/zinc/87/24/68/807872468.db2.gz VTPDBZMRNZEIML-KBPBESRZSA-N 1 2 293.367 0.628 20 30 CCEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144582 808011346 /nfs/dbraw/zinc/01/13/46/808011346.db2.gz CRPRQUWETRRAJR-GJZGRUSLSA-N 1 2 290.363 0.807 20 30 CCEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144582 808011353 /nfs/dbraw/zinc/01/13/53/808011353.db2.gz CRPRQUWETRRAJR-GJZGRUSLSA-N 1 2 290.363 0.807 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253583229 808091050 /nfs/dbraw/zinc/09/10/50/808091050.db2.gz ZDXCNXHJLREPII-GFCCVEGCSA-N 1 2 288.355 0.276 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253583229 808091058 /nfs/dbraw/zinc/09/10/58/808091058.db2.gz ZDXCNXHJLREPII-GFCCVEGCSA-N 1 2 288.355 0.276 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001278872458 808403755 /nfs/dbraw/zinc/40/37/55/808403755.db2.gz IWPFGOONHMUEEV-LBPRGKRZSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001278872822 808408293 /nfs/dbraw/zinc/40/82/93/808408293.db2.gz UQGVSNSGWYSAJR-LLVKDONJSA-N 1 2 270.373 0.132 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nncn1C ZINC001255582286 808409190 /nfs/dbraw/zinc/40/91/90/808409190.db2.gz WHUXMZQDKGJGNY-ZJUUUORDSA-N 1 2 276.344 0.417 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)C(=O)OC ZINC001256049498 808460973 /nfs/dbraw/zinc/46/09/73/808460973.db2.gz BJGYJXBNZFQSMC-ZDUSSCGKSA-N 1 2 288.351 0.600 20 30 CCEDLO COC(=O)CC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001256983695 808575352 /nfs/dbraw/zinc/57/53/52/808575352.db2.gz LGYAWADVFPTYCM-BPCQOVAHSA-N 1 2 265.357 0.906 20 30 CCEDLO COCC#Cc1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258100841 808654260 /nfs/dbraw/zinc/65/42/60/808654260.db2.gz DRMSQVWPJFGZCH-VXGBXAGGSA-N 1 2 279.340 0.719 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)nc1 ZINC001259061491 808730565 /nfs/dbraw/zinc/73/05/65/808730565.db2.gz ZIHRRLMZCTYKIO-LBPRGKRZSA-N 1 2 296.290 0.339 20 30 CCEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)nc1 ZINC001259061491 808730571 /nfs/dbraw/zinc/73/05/71/808730571.db2.gz ZIHRRLMZCTYKIO-LBPRGKRZSA-N 1 2 296.290 0.339 20 30 CCEDLO C=CCS(=O)(=O)N1CC([NH+]2CCC(F)CC2)C1 ZINC001259927479 808807346 /nfs/dbraw/zinc/80/73/46/808807346.db2.gz HTUVJMNXFSQILB-UHFFFAOYSA-N 1 2 262.350 0.620 20 30 CCEDLO N#Cc1cncn(Cc2[nH+]ccn2C(F)F)c1=O ZINC001261199562 808925195 /nfs/dbraw/zinc/92/51/95/808925195.db2.gz SKUMICNWRLQJHM-UHFFFAOYSA-N 1 2 251.196 0.755 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(CC)o2)nn1 ZINC001262022975 809159825 /nfs/dbraw/zinc/15/98/25/809159825.db2.gz HBHMFXKRHWCNSL-UHFFFAOYSA-N 1 2 260.301 0.385 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077135 809185177 /nfs/dbraw/zinc/18/51/77/809185177.db2.gz TWEWRTNZKDHAJD-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077135 809185181 /nfs/dbraw/zinc/18/51/81/809185181.db2.gz TWEWRTNZKDHAJD-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263830601 809582269 /nfs/dbraw/zinc/58/22/69/809582269.db2.gz QHBLWOROFRRBAM-RYUDHWBXSA-N 1 2 254.378 0.496 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896115 809602027 /nfs/dbraw/zinc/60/20/27/809602027.db2.gz OVKGDQUOKOZDSP-ZDUSSCGKSA-N 1 2 290.367 0.767 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896115 809602033 /nfs/dbraw/zinc/60/20/33/809602033.db2.gz OVKGDQUOKOZDSP-ZDUSSCGKSA-N 1 2 290.367 0.767 20 30 CCEDLO N#C[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000385997068 809637074 /nfs/dbraw/zinc/63/70/74/809637074.db2.gz SOXRSESDFANUMJ-STQMWFEESA-N 1 2 253.346 0.058 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C(CC)CC)CC1 ZINC001265256268 809732578 /nfs/dbraw/zinc/73/25/78/809732578.db2.gz RIWDHVZJDZGGHU-UHFFFAOYSA-N 1 2 265.401 0.790 20 30 CCEDLO CC[C@H](C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265258919 809732943 /nfs/dbraw/zinc/73/29/43/809732943.db2.gz SSCXSEADGBIQCU-ZDUSSCGKSA-N 1 2 266.389 0.680 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001265262911 809734433 /nfs/dbraw/zinc/73/44/33/809734433.db2.gz MQVGAGRXQZUWIK-OLZOCXBDSA-N 1 2 282.363 0.382 20 30 CCEDLO C#CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1ncn[nH]1 ZINC001279318741 809974739 /nfs/dbraw/zinc/97/47/39/809974739.db2.gz PJKDGGDQBVNNRF-UHFFFAOYSA-N 1 2 297.362 0.599 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001280399105 810014223 /nfs/dbraw/zinc/01/42/23/810014223.db2.gz HKQKSIFZDHNQJA-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001280399105 810014229 /nfs/dbraw/zinc/01/42/29/810014229.db2.gz HKQKSIFZDHNQJA-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001076737326 815358592 /nfs/dbraw/zinc/35/85/92/815358592.db2.gz DHBIRVVUZSDRNZ-VXGBXAGGSA-N 1 2 281.743 0.466 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001076737326 815358599 /nfs/dbraw/zinc/35/85/99/815358599.db2.gz DHBIRVVUZSDRNZ-VXGBXAGGSA-N 1 2 281.743 0.466 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898549 815407847 /nfs/dbraw/zinc/40/78/47/815407847.db2.gz OLFQJYYHAKCWKP-OASPWFOLSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898549 815407849 /nfs/dbraw/zinc/40/78/49/815407849.db2.gz OLFQJYYHAKCWKP-OASPWFOLSA-N 1 2 294.330 0.409 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001076926151 815415803 /nfs/dbraw/zinc/41/58/03/815415803.db2.gz QBRNXICTDJBHPB-NXEZZACHSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001076926151 815415807 /nfs/dbraw/zinc/41/58/07/815415807.db2.gz QBRNXICTDJBHPB-NXEZZACHSA-N 1 2 268.700 0.341 20 30 CCEDLO CCCN(CC#N)CCNC(=O)CCc1c[nH+]cn1C ZINC001267319749 811149048 /nfs/dbraw/zinc/14/90/48/811149048.db2.gz PUFDQXZJXPHSEJ-UHFFFAOYSA-N 1 2 277.372 0.704 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001077025760 815433979 /nfs/dbraw/zinc/43/39/79/815433979.db2.gz MZFMAPXCASYFDN-REWJHTLYSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001077025760 815433982 /nfs/dbraw/zinc/43/39/82/815433982.db2.gz MZFMAPXCASYFDN-REWJHTLYSA-N 1 2 278.396 0.853 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001077072074 815441368 /nfs/dbraw/zinc/44/13/68/815441368.db2.gz DLZUICZWORCMLC-VXGBXAGGSA-N 1 2 295.289 0.158 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001077072074 815441371 /nfs/dbraw/zinc/44/13/71/815441371.db2.gz DLZUICZWORCMLC-VXGBXAGGSA-N 1 2 295.289 0.158 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125813783 811444958 /nfs/dbraw/zinc/44/49/58/811444958.db2.gz KDEOTJUPYJUJBC-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO N#CCN1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001267571202 811459636 /nfs/dbraw/zinc/45/96/36/811459636.db2.gz JODHPOJUVNEYRW-LBPRGKRZSA-N 1 2 261.329 0.235 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001077155222 815449913 /nfs/dbraw/zinc/44/99/13/815449913.db2.gz GSJOJMCDMJULEQ-GHMZBOCLSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001077155222 815449917 /nfs/dbraw/zinc/44/99/17/815449917.db2.gz GSJOJMCDMJULEQ-GHMZBOCLSA-N 1 2 277.324 0.513 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001077174131 815456215 /nfs/dbraw/zinc/45/62/15/815456215.db2.gz DYPHFJLZFWTADN-ZIAGYGMSSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001077174131 815456218 /nfs/dbraw/zinc/45/62/18/815456218.db2.gz DYPHFJLZFWTADN-ZIAGYGMSSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC[C@H]2CCCO2)C1 ZINC001267637731 811596831 /nfs/dbraw/zinc/59/68/31/811596831.db2.gz YWVXZBXWZWOQTC-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001267638174 811599413 /nfs/dbraw/zinc/59/94/13/811599413.db2.gz TVVWNEVGWWDSND-CHWSQXEVSA-N 1 2 268.357 0.414 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001267645144 811611531 /nfs/dbraw/zinc/61/15/31/811611531.db2.gz MUXCYJQJMFUZAV-OCCSQVGLSA-N 1 2 280.368 0.394 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CCC)C1 ZINC001267673593 811638436 /nfs/dbraw/zinc/63/84/36/811638436.db2.gz JPCKZBFKXUACBT-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO CC#CCCCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001267689692 811654787 /nfs/dbraw/zinc/65/47/87/811654787.db2.gz OWXNIQBSMJLLPT-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001267694585 811661086 /nfs/dbraw/zinc/66/10/86/811661086.db2.gz DCVGONXAMUOXLU-KGLIPLIRSA-N 1 2 291.395 0.076 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001267740916 811721666 /nfs/dbraw/zinc/72/16/66/811721666.db2.gz ZPUZWGOTPVPXPU-NEPJUHHUSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001267740916 811721674 /nfs/dbraw/zinc/72/16/74/811721674.db2.gz ZPUZWGOTPVPXPU-NEPJUHHUSA-N 1 2 299.440 0.621 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083294462 811775982 /nfs/dbraw/zinc/77/59/82/811775982.db2.gz BXVGNHIDVOPKEN-NEPJUHHUSA-N 1 2 279.365 0.691 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083294462 811775986 /nfs/dbraw/zinc/77/59/86/811775986.db2.gz BXVGNHIDVOPKEN-NEPJUHHUSA-N 1 2 279.365 0.691 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001077284880 815474076 /nfs/dbraw/zinc/47/40/76/815474076.db2.gz LJKCSRMZNXEBSJ-ZIAGYGMSSA-N 1 2 290.367 0.160 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001077284880 815474080 /nfs/dbraw/zinc/47/40/80/815474080.db2.gz LJKCSRMZNXEBSJ-ZIAGYGMSSA-N 1 2 290.367 0.160 20 30 CCEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CC1 ZINC001083300362 811876138 /nfs/dbraw/zinc/87/61/38/811876138.db2.gz LOZGCWZMEJRZEW-CVEARBPZSA-N 1 2 284.359 0.609 20 30 CCEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CC1 ZINC001083300362 811876148 /nfs/dbraw/zinc/87/61/48/811876148.db2.gz LOZGCWZMEJRZEW-CVEARBPZSA-N 1 2 284.359 0.609 20 30 CCEDLO Cc1nnc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125988214 811967561 /nfs/dbraw/zinc/96/75/61/811967561.db2.gz PTGSTDMAPRWVDY-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001083314072 812092821 /nfs/dbraw/zinc/09/28/21/812092821.db2.gz QSRXOMNEVIFRTL-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001083314072 812092829 /nfs/dbraw/zinc/09/28/29/812092829.db2.gz QSRXOMNEVIFRTL-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001077423780 815502952 /nfs/dbraw/zinc/50/29/52/815502952.db2.gz PJKFDCOLQLDCEL-CHWSQXEVSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001077423780 815502957 /nfs/dbraw/zinc/50/29/57/815502957.db2.gz PJKFDCOLQLDCEL-CHWSQXEVSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CCCCC(=O)N(C)CC[N@@H+](C)CC(=O)NCC ZINC001268235277 812396838 /nfs/dbraw/zinc/39/68/38/812396838.db2.gz GTCJZGAGCSOABF-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCCCC(=O)N(C)CC[N@H+](C)CC(=O)NCC ZINC001268235277 812396841 /nfs/dbraw/zinc/39/68/41/812396841.db2.gz GTCJZGAGCSOABF-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001268245202 812410181 /nfs/dbraw/zinc/41/01/81/812410181.db2.gz LWUNOULWWQBYQU-UHFFFAOYSA-N 1 2 253.346 0.056 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001268245202 812410185 /nfs/dbraw/zinc/41/01/85/812410185.db2.gz LWUNOULWWQBYQU-UHFFFAOYSA-N 1 2 253.346 0.056 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001268278806 812442346 /nfs/dbraw/zinc/44/23/46/812442346.db2.gz BCMNVRBIIDBLTQ-UKRRQHHQSA-N 1 2 282.384 0.683 20 30 CCEDLO CC(C)C#CC(=O)NC1C[NH+](CCCO[C@H]2CCOC2)C1 ZINC001268298705 812458656 /nfs/dbraw/zinc/45/86/56/812458656.db2.gz CLXFUJMVMQADMA-HNNXBMFYSA-N 1 2 294.395 0.642 20 30 CCEDLO Cc1ncc(C[NH+]2CC(CNC(=O)CSCC#N)C2)o1 ZINC001268512424 812748159 /nfs/dbraw/zinc/74/81/59/812748159.db2.gz YIVLMAMROHFCEK-UHFFFAOYSA-N 1 2 294.380 0.788 20 30 CCEDLO N#CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000426416951 812793494 /nfs/dbraw/zinc/79/34/94/812793494.db2.gz NLGZVDSHQSLXBE-NSHDSACASA-N 1 2 259.313 0.873 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001126379137 812825177 /nfs/dbraw/zinc/82/51/77/812825177.db2.gz XUGSQSPORMWQRL-JOYOIKCWSA-N 1 2 284.385 0.632 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001077430292 815561116 /nfs/dbraw/zinc/56/11/16/815561116.db2.gz GYHZHXWSCIKWAK-UXXRCYHCSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001077430292 815561122 /nfs/dbraw/zinc/56/11/22/815561122.db2.gz GYHZHXWSCIKWAK-UXXRCYHCSA-N 1 2 276.380 0.607 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001268592586 812883814 /nfs/dbraw/zinc/88/38/14/812883814.db2.gz HULICTHIDAQOMT-HNFMAKEJSA-N 1 2 292.339 0.423 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](O)C1 ZINC001083343749 812893101 /nfs/dbraw/zinc/89/31/01/812893101.db2.gz JMFKDBUWIHBSLG-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](O)C1 ZINC001083343749 812893110 /nfs/dbraw/zinc/89/31/10/812893110.db2.gz JMFKDBUWIHBSLG-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001127027408 815565810 /nfs/dbraw/zinc/56/58/10/815565810.db2.gz QRJLSCOJHZKGTH-UHFFFAOYSA-N 1 2 276.340 0.031 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001269038797 813187784 /nfs/dbraw/zinc/18/77/84/813187784.db2.gz IHCSLVITDRUIOX-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001269038797 813187787 /nfs/dbraw/zinc/18/77/87/813187787.db2.gz IHCSLVITDRUIOX-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](NC(=O)C#CC2CC2)C2CC2)n1 ZINC001269066741 813204690 /nfs/dbraw/zinc/20/46/90/813204690.db2.gz LMWIWTWZNSXPOC-CYBMUJFWSA-N 1 2 288.351 0.776 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NCC)C1 ZINC001269122107 813226939 /nfs/dbraw/zinc/22/69/39/813226939.db2.gz QTEMILLZSMNHLS-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC)C1 ZINC001269122107 813226943 /nfs/dbraw/zinc/22/69/43/813226943.db2.gz QTEMILLZSMNHLS-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNCC#N)C1CC1 ZINC001269140536 813234433 /nfs/dbraw/zinc/23/44/33/813234433.db2.gz MBZPIWFPBMCWHP-GFCCVEGCSA-N 1 2 261.329 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1nccn1C ZINC001269256003 813293943 /nfs/dbraw/zinc/29/39/43/813293943.db2.gz VFNIXBJGHQKBMU-CYBMUJFWSA-N 1 2 290.367 0.151 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1nccn1C ZINC001269256003 813293946 /nfs/dbraw/zinc/29/39/46/813293946.db2.gz VFNIXBJGHQKBMU-CYBMUJFWSA-N 1 2 290.367 0.151 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C(=O)NC)CC2)C1 ZINC001269282399 813305770 /nfs/dbraw/zinc/30/57/70/813305770.db2.gz ZZSITHLKMPIKMH-NSHDSACASA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C(=O)NC)CC2)C1 ZINC001269282399 813305776 /nfs/dbraw/zinc/30/57/76/813305776.db2.gz ZZSITHLKMPIKMH-NSHDSACASA-N 1 2 299.802 0.798 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)c1 ZINC001269293114 813312015 /nfs/dbraw/zinc/31/20/15/813312015.db2.gz VIHWELNGHYJCCO-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)c1 ZINC001269293114 813312020 /nfs/dbraw/zinc/31/20/20/813312020.db2.gz VIHWELNGHYJCCO-INIZCTEOSA-N 1 2 297.358 0.517 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001269794464 813511510 /nfs/dbraw/zinc/51/15/10/813511510.db2.gz RGZCONPZXVZJRG-LBPRGKRZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COCc2ccnn2C)C1 ZINC001269805791 813513718 /nfs/dbraw/zinc/51/37/18/813513718.db2.gz OUIMDSUFCXCWAW-UHFFFAOYSA-N 1 2 278.356 0.265 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCCn2cccn2)C1 ZINC001269893625 813547944 /nfs/dbraw/zinc/54/79/44/813547944.db2.gz TZGWIFCOPPOHNK-UHFFFAOYSA-N 1 2 262.357 0.992 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@]1(C)CCN(CC#N)C1 ZINC001270600089 813832163 /nfs/dbraw/zinc/83/21/63/813832163.db2.gz SVTSASULHYNJCS-OAHLLOKOSA-N 1 2 288.351 0.737 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H](C)OC)C1 ZINC001270637362 813863221 /nfs/dbraw/zinc/86/32/21/813863221.db2.gz BJGXTYWPSFAYEQ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC[C@@H](C)OC)C1 ZINC001270637362 813863233 /nfs/dbraw/zinc/86/32/33/813863233.db2.gz BJGXTYWPSFAYEQ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001270716462 813902989 /nfs/dbraw/zinc/90/29/89/813902989.db2.gz IEZHMXDIGASSBI-STQMWFEESA-N 1 2 266.341 0.305 20 30 CCEDLO CC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001270716462 813902996 /nfs/dbraw/zinc/90/29/96/813902996.db2.gz IEZHMXDIGASSBI-STQMWFEESA-N 1 2 266.341 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211882619 814240934 /nfs/dbraw/zinc/24/09/34/814240934.db2.gz PEFBPPQVOWRQAX-VXGBXAGGSA-N 1 2 270.398 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211882619 814240937 /nfs/dbraw/zinc/24/09/37/814240937.db2.gz PEFBPPQVOWRQAX-VXGBXAGGSA-N 1 2 270.398 0.577 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087911832 814268081 /nfs/dbraw/zinc/26/80/81/814268081.db2.gz MEPMFTUTWGCXCN-UTUOFQBUSA-N 1 2 289.339 0.510 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087911832 814268089 /nfs/dbraw/zinc/26/80/89/814268089.db2.gz MEPMFTUTWGCXCN-UTUOFQBUSA-N 1 2 289.339 0.510 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)C=C2CCC2)C1 ZINC001271269349 814356812 /nfs/dbraw/zinc/35/68/12/814356812.db2.gz CWGZDBJZBMFSJK-UHFFFAOYSA-N 1 2 280.368 0.462 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001271361793 814392151 /nfs/dbraw/zinc/39/21/51/814392151.db2.gz SXEUEOFUPMIDFQ-LBPRGKRZSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001127051309 815606524 /nfs/dbraw/zinc/60/65/24/815606524.db2.gz FQXYZMGDRGRQPN-QWRGUYRKSA-N 1 2 294.355 0.437 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271549369 814473999 /nfs/dbraw/zinc/47/39/99/814473999.db2.gz KINYMTDVZDQLRU-QWHCGFSZSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038383469 815617971 /nfs/dbraw/zinc/61/79/71/815617971.db2.gz SQWFTQOVXUOABJ-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038383469 815617976 /nfs/dbraw/zinc/61/79/76/815617976.db2.gz SQWFTQOVXUOABJ-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029678827 814534471 /nfs/dbraw/zinc/53/44/71/814534471.db2.gz TWZGJMMMHXHMSL-NEPJUHHUSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029678827 814534482 /nfs/dbraw/zinc/53/44/82/814534482.db2.gz TWZGJMMMHXHMSL-NEPJUHHUSA-N 1 2 290.371 0.255 20 30 CCEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001271975513 814659554 /nfs/dbraw/zinc/65/95/54/814659554.db2.gz GJZOBVOHGPOZAN-MELADBBJSA-N 1 2 285.347 0.989 20 30 CCEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001271975513 814659555 /nfs/dbraw/zinc/65/95/55/814659555.db2.gz GJZOBVOHGPOZAN-MELADBBJSA-N 1 2 285.347 0.989 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001088549844 814872267 /nfs/dbraw/zinc/87/22/67/814872267.db2.gz FYBGIDZFLOXTJW-KXUCPTDWSA-N 1 2 287.747 0.426 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001088549844 814872270 /nfs/dbraw/zinc/87/22/70/814872270.db2.gz FYBGIDZFLOXTJW-KXUCPTDWSA-N 1 2 287.747 0.426 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001059847496 814895133 /nfs/dbraw/zinc/89/51/33/814895133.db2.gz LZHZSKUDMXYYOD-TXEJJXNPSA-N 1 2 296.334 0.978 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001127039856 815589770 /nfs/dbraw/zinc/58/97/70/815589770.db2.gz RUYLVTPWRKDWJS-LBPRGKRZSA-N 1 2 276.340 0.029 20 30 CCEDLO C=CCCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105739475 815694596 /nfs/dbraw/zinc/69/45/96/815694596.db2.gz MEUDPYDFSYZVCS-NSHDSACASA-N 1 2 264.329 0.640 20 30 CCEDLO Cn1nccc1CC[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030223888 815907524 /nfs/dbraw/zinc/90/75/24/815907524.db2.gz FOCBAPQCNHZARH-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCOCC2)C1 ZINC001030264406 815940089 /nfs/dbraw/zinc/94/00/89/815940089.db2.gz TYDIVRGVELHLGK-LBPRGKRZSA-N 1 2 250.342 0.627 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OC)C1 ZINC001030428126 816034072 /nfs/dbraw/zinc/03/40/72/816034072.db2.gz OOTJGNLXYRHYEK-YPMHNXCESA-N 1 2 268.357 0.414 20 30 CCEDLO N#CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030529656 816088744 /nfs/dbraw/zinc/08/87/44/816088744.db2.gz OIZJODCJEXKNJI-UHFFFAOYSA-N 1 2 255.281 0.500 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001030596913 816133809 /nfs/dbraw/zinc/13/38/09/816133809.db2.gz PLAZRSPIAVWBRT-UHFFFAOYSA-N 1 2 260.341 0.970 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001030608815 816144945 /nfs/dbraw/zinc/14/49/45/816144945.db2.gz AFOVZYMCTYDBAK-UHFFFAOYSA-N 1 2 287.319 0.290 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCO[C@H]2C)C1 ZINC001030729371 816254014 /nfs/dbraw/zinc/25/40/14/816254014.db2.gz RQKZPQZBIDMAMO-SMDDNHRTSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cncc(C)c2)C1 ZINC001030747499 816261191 /nfs/dbraw/zinc/26/11/91/816261191.db2.gz JAGARJRTJILVFA-UHFFFAOYSA-N 1 2 257.337 0.756 20 30 CCEDLO C=CCCC(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001272381381 816376891 /nfs/dbraw/zinc/37/68/91/816376891.db2.gz RNIQKYZICIFZGX-SNVBAGLBSA-N 1 2 270.358 0.071 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2OC)C1 ZINC001030890974 816400095 /nfs/dbraw/zinc/40/00/95/816400095.db2.gz IQSYLQQWRGTREB-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+]([C@@H](C)COC)C2)c1 ZINC001030929813 816449240 /nfs/dbraw/zinc/44/92/40/816449240.db2.gz ZNDAIGITVPBNJQ-NSHDSACASA-N 1 2 273.336 0.512 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083704669 816488689 /nfs/dbraw/zinc/48/86/89/816488689.db2.gz ZUCGTNLBURXPRV-LLLHUVSDSA-N 1 2 298.386 0.855 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083704669 816488698 /nfs/dbraw/zinc/48/86/98/816488698.db2.gz ZUCGTNLBURXPRV-LLLHUVSDSA-N 1 2 298.386 0.855 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001030985988 816535268 /nfs/dbraw/zinc/53/52/68/816535268.db2.gz UPJHXABBOXGLTO-UHFFFAOYSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001030988092 816536531 /nfs/dbraw/zinc/53/65/31/816536531.db2.gz LSXSPXLNQWBYMG-UONOGXRCSA-N 1 2 272.352 0.347 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cc(Cl)cn2)C1 ZINC001031025610 816573960 /nfs/dbraw/zinc/57/39/60/816573960.db2.gz KJXFIYZMIVJSEK-UHFFFAOYSA-N 1 2 268.748 0.913 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568884 816590051 /nfs/dbraw/zinc/59/00/51/816590051.db2.gz IHOZISVXXXNDIR-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272568884 816590056 /nfs/dbraw/zinc/59/00/56/816590056.db2.gz IHOZISVXXXNDIR-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568884 816590060 /nfs/dbraw/zinc/59/00/60/816590060.db2.gz IHOZISVXXXNDIR-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272568884 816590066 /nfs/dbraw/zinc/59/00/66/816590066.db2.gz IHOZISVXXXNDIR-ZDUSSCGKSA-N 1 2 261.329 0.415 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001031058002 816613921 /nfs/dbraw/zinc/61/39/21/816613921.db2.gz DNQVGNKLURAZRH-UHFFFAOYSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001031150587 816705113 /nfs/dbraw/zinc/70/51/13/816705113.db2.gz LHIGFAQMBFROAY-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106362229 816748090 /nfs/dbraw/zinc/74/80/90/816748090.db2.gz KUSIBZBOPLMJEU-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699519950 816756450 /nfs/dbraw/zinc/75/64/50/816756450.db2.gz RAZQBAFLHIGQOW-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699519950 816756454 /nfs/dbraw/zinc/75/64/54/816756454.db2.gz RAZQBAFLHIGQOW-ZDUSSCGKSA-N 1 2 259.309 0.307 20 30 CCEDLO C[C@@H](CCNc1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598145 816820855 /nfs/dbraw/zinc/82/08/55/816820855.db2.gz DXJUIDFVHZSNCZ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106599026 816820897 /nfs/dbraw/zinc/82/08/97/816820897.db2.gz VYJKGTLHXVSYKA-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001083751993 816992471 /nfs/dbraw/zinc/99/24/71/816992471.db2.gz ZCLWVPQNGDMEBF-NEPJUHHUSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001083751993 816992476 /nfs/dbraw/zinc/99/24/76/816992476.db2.gz ZCLWVPQNGDMEBF-NEPJUHHUSA-N 1 2 294.301 0.681 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001031359085 816999853 /nfs/dbraw/zinc/99/98/53/816999853.db2.gz XRUOMPLTYAWJJZ-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554650 817130798 /nfs/dbraw/zinc/13/07/98/817130798.db2.gz FBHIWGAFFMBDDI-LLVKDONJSA-N 1 2 274.748 0.202 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212333067 817378344 /nfs/dbraw/zinc/37/83/44/817378344.db2.gz WCJQIYNPIATNMZ-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212333067 817378353 /nfs/dbraw/zinc/37/83/53/817378353.db2.gz WCJQIYNPIATNMZ-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO Cc1nc(NC[C@H](O)CN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001124282893 817381778 /nfs/dbraw/zinc/38/17/78/817381778.db2.gz BXOAJWLUMMJOGT-ZDUSSCGKSA-N 1 2 288.351 0.430 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](O)C1 ZINC001083769130 817441297 /nfs/dbraw/zinc/44/12/97/817441297.db2.gz GDVDODKVXABXRQ-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](O)C1 ZINC001083769130 817441299 /nfs/dbraw/zinc/44/12/99/817441299.db2.gz GDVDODKVXABXRQ-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001077577736 817569533 /nfs/dbraw/zinc/56/95/33/817569533.db2.gz WDTGLOYOKCSNRS-NXEZZACHSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001077577736 817569539 /nfs/dbraw/zinc/56/95/39/817569539.db2.gz WDTGLOYOKCSNRS-NXEZZACHSA-N 1 2 284.262 0.625 20 30 CCEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063587 817594375 /nfs/dbraw/zinc/59/43/75/817594375.db2.gz GOAJQEQODHLJHN-UHFFFAOYSA-N 1 2 297.318 0.803 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124895814 817621825 /nfs/dbraw/zinc/62/18/25/817621825.db2.gz JMBQBIAJOGIEHF-DTWKUNHWSA-N 1 2 281.316 0.142 20 30 CCEDLO CC#CCN1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032134296 817660233 /nfs/dbraw/zinc/66/02/33/817660233.db2.gz SSIBCPNQUPYJEQ-UHFFFAOYSA-N 1 2 286.379 0.833 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001125248517 817742755 /nfs/dbraw/zinc/74/27/55/817742755.db2.gz ZNTBHGQNQWBHIH-UHFFFAOYSA-N 1 2 284.385 0.727 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107133447 817787767 /nfs/dbraw/zinc/78/77/67/817787767.db2.gz RUKPGYSDBVKNIT-GFCCVEGCSA-N 1 2 289.383 0.820 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127731493 817801528 /nfs/dbraw/zinc/80/15/28/817801528.db2.gz UCMYKJJDPJRHKY-MRVPVSSYSA-N 1 2 270.226 0.242 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127731493 817801531 /nfs/dbraw/zinc/80/15/31/817801531.db2.gz UCMYKJJDPJRHKY-MRVPVSSYSA-N 1 2 270.226 0.242 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(C)(F)F)nn2)C1 ZINC001107207720 817808943 /nfs/dbraw/zinc/80/89/43/817808943.db2.gz CROHRABIPKJYDI-UHFFFAOYSA-N 1 2 299.325 0.982 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001107715667 817962056 /nfs/dbraw/zinc/96/20/56/817962056.db2.gz RENXRCCJOUUXOE-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001107715667 817962063 /nfs/dbraw/zinc/96/20/63/817962063.db2.gz RENXRCCJOUUXOE-CQSZACIVSA-N 1 2 292.339 0.189 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107716062 817962534 /nfs/dbraw/zinc/96/25/34/817962534.db2.gz ZCBIVZUPHQSISG-HNNXBMFYSA-N 1 2 294.351 0.105 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107716062 817962539 /nfs/dbraw/zinc/96/25/39/817962539.db2.gz ZCBIVZUPHQSISG-HNNXBMFYSA-N 1 2 294.351 0.105 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001107759078 817987211 /nfs/dbraw/zinc/98/72/11/817987211.db2.gz MLPUAPPYRVNBST-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001107759078 817987215 /nfs/dbraw/zinc/98/72/15/817987215.db2.gz MLPUAPPYRVNBST-CYBMUJFWSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2C)C1 ZINC001107787461 818007347 /nfs/dbraw/zinc/00/73/47/818007347.db2.gz DMXMTAZDSBZTQX-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2C)C1 ZINC001107787461 818007355 /nfs/dbraw/zinc/00/73/55/818007355.db2.gz DMXMTAZDSBZTQX-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOCC)C1 ZINC001107807261 818021064 /nfs/dbraw/zinc/02/10/64/818021064.db2.gz WNILGEYNLFYEDJ-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCOCC)C1 ZINC001107807261 818021071 /nfs/dbraw/zinc/02/10/71/818021071.db2.gz WNILGEYNLFYEDJ-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cocn2)C1 ZINC001107812681 818027922 /nfs/dbraw/zinc/02/79/22/818027922.db2.gz BJRJFHHMFONXPN-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cocn2)C1 ZINC001107812681 818027930 /nfs/dbraw/zinc/02/79/30/818027930.db2.gz BJRJFHHMFONXPN-CYBMUJFWSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815217 818036488 /nfs/dbraw/zinc/03/64/88/818036488.db2.gz KENODILJCQUZMF-RYUDHWBXSA-N 1 2 280.759 0.921 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078734974 818038065 /nfs/dbraw/zinc/03/80/65/818038065.db2.gz WNSMORNQIXGLKG-NWDGAFQWSA-N 1 2 273.340 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)[C@@H](O)C1 ZINC001083798751 818057954 /nfs/dbraw/zinc/05/79/54/818057954.db2.gz SVGYQCMAYIPXRG-OLZOCXBDSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)[C@@H](O)C1 ZINC001083798751 818057965 /nfs/dbraw/zinc/05/79/65/818057965.db2.gz SVGYQCMAYIPXRG-OLZOCXBDSA-N 1 2 292.310 0.242 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001089976951 818106061 /nfs/dbraw/zinc/10/60/61/818106061.db2.gz RSTVXHAEFZVGKQ-GJZGRUSLSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001089976951 818106066 /nfs/dbraw/zinc/10/60/66/818106066.db2.gz RSTVXHAEFZVGKQ-GJZGRUSLSA-N 1 2 291.326 0.769 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090071198 818456521 /nfs/dbraw/zinc/45/65/21/818456521.db2.gz ZEUPGBGTRICVAW-CMPLNLGQSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090071198 818456527 /nfs/dbraw/zinc/45/65/27/818456527.db2.gz ZEUPGBGTRICVAW-CMPLNLGQSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090071199 818456735 /nfs/dbraw/zinc/45/67/35/818456735.db2.gz ZEUPGBGTRICVAW-JQWIXIFHSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001090071199 818456739 /nfs/dbraw/zinc/45/67/39/818456739.db2.gz ZEUPGBGTRICVAW-JQWIXIFHSA-N 1 2 283.759 0.932 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038555226 818613832 /nfs/dbraw/zinc/61/38/32/818613832.db2.gz KMBCQFUWDRJAPZ-ZDUSSCGKSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038555226 818613839 /nfs/dbraw/zinc/61/38/39/818613839.db2.gz KMBCQFUWDRJAPZ-ZDUSSCGKSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033240545 818670657 /nfs/dbraw/zinc/67/06/57/818670657.db2.gz LYCMROFWKJTNHV-SNVBAGLBSA-N 1 2 278.381 0.880 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033240545 818670662 /nfs/dbraw/zinc/67/06/62/818670662.db2.gz LYCMROFWKJTNHV-SNVBAGLBSA-N 1 2 278.381 0.880 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001033290862 818693599 /nfs/dbraw/zinc/69/35/99/818693599.db2.gz ZPIVLIDOFQXSSN-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001033290862 818693603 /nfs/dbraw/zinc/69/36/03/818693603.db2.gz ZPIVLIDOFQXSSN-BXUZGUMPSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCN1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585058 818845273 /nfs/dbraw/zinc/84/52/73/818845273.db2.gz FDYHNQZXZMJXKY-CYBMUJFWSA-N 1 2 286.379 0.927 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(CC#N)C1 ZINC001033621878 818855666 /nfs/dbraw/zinc/85/56/66/818855666.db2.gz ZMHOIKFDMQMDPX-LLVKDONJSA-N 1 2 261.329 0.317 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nnn(C)n2)C1 ZINC001033923562 818998891 /nfs/dbraw/zinc/99/88/91/818998891.db2.gz RQCIFARYXBOXAS-SNVBAGLBSA-N 1 2 298.778 0.499 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nnn(C)n2)C1 ZINC001033923562 818998897 /nfs/dbraw/zinc/99/88/97/818998897.db2.gz RQCIFARYXBOXAS-SNVBAGLBSA-N 1 2 298.778 0.499 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128820631 819039642 /nfs/dbraw/zinc/03/96/42/819039642.db2.gz FDUDMZXQEZSHBD-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128820631 819039647 /nfs/dbraw/zinc/03/96/47/819039647.db2.gz FDUDMZXQEZSHBD-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC001034886894 819356585 /nfs/dbraw/zinc/35/65/85/819356585.db2.gz PLKDLZPOFRKZAY-WDEREUQCSA-N 1 2 291.355 0.872 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001035016347 819378734 /nfs/dbraw/zinc/37/87/34/819378734.db2.gz TYSYXIOYBPHJBG-LLVKDONJSA-N 1 2 292.387 0.503 20 30 CCEDLO N#CCN1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035239683 819424895 /nfs/dbraw/zinc/42/48/95/819424895.db2.gz WJZLRZXNVNXQGP-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ocnc2C)C1 ZINC001035330538 819475943 /nfs/dbraw/zinc/47/59/43/819475943.db2.gz QWVGQUZFXPEHTB-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ocnc2C)C1 ZINC001035330538 819475949 /nfs/dbraw/zinc/47/59/49/819475949.db2.gz QWVGQUZFXPEHTB-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001035404425 819514310 /nfs/dbraw/zinc/51/43/10/819514310.db2.gz LMLFDDGNARDHRT-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001035404425 819514315 /nfs/dbraw/zinc/51/43/15/819514315.db2.gz LMLFDDGNARDHRT-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431512 819522421 /nfs/dbraw/zinc/52/24/21/819522421.db2.gz IJXNHDCPAHYSAE-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431512 819522429 /nfs/dbraw/zinc/52/24/29/819522429.db2.gz IJXNHDCPAHYSAE-GFCCVEGCSA-N 1 2 276.340 0.402 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035490162 819535136 /nfs/dbraw/zinc/53/51/36/819535136.db2.gz VYTUPHMLFACASL-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035490162 819535143 /nfs/dbraw/zinc/53/51/43/819535143.db2.gz VYTUPHMLFACASL-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001035535325 819559693 /nfs/dbraw/zinc/55/96/93/819559693.db2.gz YOWUETYDJIXWOJ-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001035535325 819559698 /nfs/dbraw/zinc/55/96/98/819559698.db2.gz YOWUETYDJIXWOJ-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(OC)n2)C1 ZINC001035569155 819560783 /nfs/dbraw/zinc/56/07/83/819560783.db2.gz IQLVICMSWWKLGH-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(OC)n2)C1 ZINC001035569155 819560785 /nfs/dbraw/zinc/56/07/85/819560785.db2.gz IQLVICMSWWKLGH-GFCCVEGCSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001035547564 819562302 /nfs/dbraw/zinc/56/23/02/819562302.db2.gz RXXHTTLVVAPFKR-ILXRZTDVSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001035547564 819562308 /nfs/dbraw/zinc/56/23/08/819562308.db2.gz RXXHTTLVVAPFKR-ILXRZTDVSA-N 1 2 294.395 0.971 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001035554175 819568857 /nfs/dbraw/zinc/56/88/57/819568857.db2.gz QJSSQKSVEBWTNU-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001035554175 819568862 /nfs/dbraw/zinc/56/88/62/819568862.db2.gz QJSSQKSVEBWTNU-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1NCC#N ZINC001036114380 819689340 /nfs/dbraw/zinc/68/93/40/819689340.db2.gz DKPQDUBWSDQIAI-QWHCGFSZSA-N 1 2 289.383 0.703 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](O)C1 ZINC001083893869 820147477 /nfs/dbraw/zinc/14/74/77/820147477.db2.gz IAHGFUUQVUQWLT-MNOVXSKESA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](O)C1 ZINC001083893869 820147483 /nfs/dbraw/zinc/14/74/83/820147483.db2.gz IAHGFUUQVUQWLT-MNOVXSKESA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](O)C1 ZINC001083911290 820220600 /nfs/dbraw/zinc/22/06/00/820220600.db2.gz FBXVEROIJJHPHS-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](O)C1 ZINC001083911290 820220611 /nfs/dbraw/zinc/22/06/11/820220611.db2.gz FBXVEROIJJHPHS-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CC(=O)N1CC[NH+]([C@H]2CCN(c3ccncc3C#N)C2)CC1 ZINC001065184753 820307643 /nfs/dbraw/zinc/30/76/43/820307643.db2.gz LOHCYTYEBXQSDN-HNNXBMFYSA-N 1 2 299.378 0.696 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001080032045 820507334 /nfs/dbraw/zinc/50/73/34/820507334.db2.gz MLBMVOTWQAUBEX-NSHDSACASA-N 1 2 289.339 0.102 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 ZINC001081274367 820717482 /nfs/dbraw/zinc/71/74/82/820717482.db2.gz VUTMPJPKISHYSW-NXEZZACHSA-N 1 2 260.284 0.480 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 ZINC001081274367 820717487 /nfs/dbraw/zinc/71/74/87/820717487.db2.gz VUTMPJPKISHYSW-NXEZZACHSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@H](OC)C1 ZINC001081941728 820866457 /nfs/dbraw/zinc/86/64/57/820866457.db2.gz YEBWCJWBNJXXAK-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@H](OC)C1 ZINC001081941728 820866472 /nfs/dbraw/zinc/86/64/72/820866472.db2.gz YEBWCJWBNJXXAK-TZMCWYRMSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@H](OC)C1 ZINC001082126721 820901748 /nfs/dbraw/zinc/90/17/48/820901748.db2.gz PUQWDOROIXYNHS-YRGRVCCFSA-N 1 2 276.336 0.832 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@H](OC)C1 ZINC001082126721 820901753 /nfs/dbraw/zinc/90/17/53/820901753.db2.gz PUQWDOROIXYNHS-YRGRVCCFSA-N 1 2 276.336 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@H](OC)C1 ZINC001082292655 820930010 /nfs/dbraw/zinc/93/00/10/820930010.db2.gz YUVJXTVUFNTNNW-CHWSQXEVSA-N 1 2 288.351 0.349 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@H](OC)C1 ZINC001082292655 820930015 /nfs/dbraw/zinc/93/00/15/820930015.db2.gz YUVJXTVUFNTNNW-CHWSQXEVSA-N 1 2 288.351 0.349 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H](OC)C1 ZINC001082319731 820937498 /nfs/dbraw/zinc/93/74/98/820937498.db2.gz HVKAMJIWFFFTCO-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H](OC)C1 ZINC001082319731 820937500 /nfs/dbraw/zinc/93/75/00/820937500.db2.gz HVKAMJIWFFFTCO-GHMZBOCLSA-N 1 2 286.322 0.870 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099741269 820948540 /nfs/dbraw/zinc/94/85/40/820948540.db2.gz QIBKLWGBCWDXOZ-VXGBXAGGSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099741269 820948544 /nfs/dbraw/zinc/94/85/44/820948544.db2.gz QIBKLWGBCWDXOZ-VXGBXAGGSA-N 1 2 288.775 0.493 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001082450610 820972441 /nfs/dbraw/zinc/97/24/41/820972441.db2.gz BPDNPDYMNBTFFG-FXPVBKGRSA-N 1 2 279.369 0.634 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCO3)[C@H]2C1 ZINC001083010466 821105812 /nfs/dbraw/zinc/10/58/12/821105812.db2.gz MVIKHACDQNTIAO-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCO3)[C@H]2C1 ZINC001083010466 821105819 /nfs/dbraw/zinc/10/58/19/821105819.db2.gz MVIKHACDQNTIAO-HZSPNIEDSA-N 1 2 278.352 0.100 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncoc3C)[C@H]2C1 ZINC001083018212 821110830 /nfs/dbraw/zinc/11/08/30/821110830.db2.gz YWUXHCXHBHBBKY-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncoc3C)[C@H]2C1 ZINC001083018212 821110832 /nfs/dbraw/zinc/11/08/32/821110832.db2.gz YWUXHCXHBHBBKY-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077692 821121387 /nfs/dbraw/zinc/12/13/87/821121387.db2.gz VABDZPQVKNSVIH-LSDHHAIUSA-N 1 2 272.348 0.335 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077692 821121393 /nfs/dbraw/zinc/12/13/93/821121393.db2.gz VABDZPQVKNSVIH-LSDHHAIUSA-N 1 2 272.348 0.335 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3cccc3)[C@H]2C1 ZINC001083052787 821129704 /nfs/dbraw/zinc/12/97/04/821129704.db2.gz BPORRFJWAVCTDZ-SOUVJXGZSA-N 1 2 287.363 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3cccc3)[C@H]2C1 ZINC001083052787 821129708 /nfs/dbraw/zinc/12/97/08/821129708.db2.gz BPORRFJWAVCTDZ-SOUVJXGZSA-N 1 2 287.363 0.594 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3CC)[C@H]2C1 ZINC001083060857 821131441 /nfs/dbraw/zinc/13/14/41/821131441.db2.gz YGRORVKSRPDLSO-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnn3CC)[C@H]2C1 ZINC001083060857 821131447 /nfs/dbraw/zinc/13/14/47/821131447.db2.gz YGRORVKSRPDLSO-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cnc(C)o3)[C@H]2C1 ZINC001083104158 821141516 /nfs/dbraw/zinc/14/15/16/821141516.db2.gz UCWBLRVAAOIZBS-UONOGXRCSA-N 1 2 289.335 0.070 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnc(C)o3)[C@H]2C1 ZINC001083104158 821141526 /nfs/dbraw/zinc/14/15/26/821141526.db2.gz UCWBLRVAAOIZBS-UONOGXRCSA-N 1 2 289.335 0.070 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001083981360 821168007 /nfs/dbraw/zinc/16/80/07/821168007.db2.gz XUJZDSADVWILDA-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001083981360 821168011 /nfs/dbraw/zinc/16/80/11/821168011.db2.gz XUJZDSADVWILDA-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)[C@@H](O)C1 ZINC001084066470 821192461 /nfs/dbraw/zinc/19/24/61/821192461.db2.gz IDVBKVMWIPXVDM-KGLIPLIRSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC=CCC2)[C@@H](O)C1 ZINC001084066470 821192466 /nfs/dbraw/zinc/19/24/66/821192466.db2.gz IDVBKVMWIPXVDM-KGLIPLIRSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@@H](O)C1 ZINC001084106439 821201750 /nfs/dbraw/zinc/20/17/50/821201750.db2.gz XEGSTTQZRNTASQ-UDNWOHKBSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@@H](O)C1 ZINC001084106439 821201760 /nfs/dbraw/zinc/20/17/60/821201760.db2.gz XEGSTTQZRNTASQ-UDNWOHKBSA-N 1 2 290.407 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001084139307 821209698 /nfs/dbraw/zinc/20/96/98/821209698.db2.gz PMFVSPXZOMEJKH-GHMZBOCLSA-N 1 2 258.749 0.918 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 ZINC001084139307 821209703 /nfs/dbraw/zinc/20/97/03/821209703.db2.gz PMFVSPXZOMEJKH-GHMZBOCLSA-N 1 2 258.749 0.918 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084231721 821248229 /nfs/dbraw/zinc/24/82/29/821248229.db2.gz JPULKIIZGFNPCF-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084231721 821248235 /nfs/dbraw/zinc/24/82/35/821248235.db2.gz JPULKIIZGFNPCF-NJZAAPMLSA-N 1 2 299.378 0.977 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084574173 821312981 /nfs/dbraw/zinc/31/29/81/821312981.db2.gz UGSUAMUEJCDNTE-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084574173 821312992 /nfs/dbraw/zinc/31/29/92/821312992.db2.gz UGSUAMUEJCDNTE-VXGBXAGGSA-N 1 2 279.384 0.607 20 30 CCEDLO C#CCN(CC#N)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000820363192 821442169 /nfs/dbraw/zinc/44/21/69/821442169.db2.gz SUKPLBAWYXZFRZ-ACCUITESSA-N 1 2 261.325 0.250 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@H](O)C(C)C ZINC000820365077 821442941 /nfs/dbraw/zinc/44/29/41/821442941.db2.gz NWSDNAYKCSZIME-HZSPNIEDSA-N 1 2 266.385 0.996 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@H](O)C(C)C ZINC000820365077 821442945 /nfs/dbraw/zinc/44/29/45/821442945.db2.gz NWSDNAYKCSZIME-HZSPNIEDSA-N 1 2 266.385 0.996 20 30 CCEDLO C=CCOCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099959591 821649371 /nfs/dbraw/zinc/64/93/71/821649371.db2.gz WGQGGFSENDVGPB-UHFFFAOYSA-N 1 2 264.329 0.540 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085611554 821850546 /nfs/dbraw/zinc/85/05/46/821850546.db2.gz VIOAYJYAWURYMY-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085611554 821850556 /nfs/dbraw/zinc/85/05/56/821850556.db2.gz VIOAYJYAWURYMY-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1CCC2 ZINC001085632098 821862772 /nfs/dbraw/zinc/86/27/72/821862772.db2.gz LJZFQHYUUWKKFT-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2c1CCC2 ZINC001085632098 821862777 /nfs/dbraw/zinc/86/27/77/821862777.db2.gz LJZFQHYUUWKKFT-LBPRGKRZSA-N 1 2 272.352 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085635498 821864506 /nfs/dbraw/zinc/86/45/06/821864506.db2.gz RREQPEGCWVLRKA-LBPRGKRZSA-N 1 2 275.356 0.386 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085635498 821864513 /nfs/dbraw/zinc/86/45/13/821864513.db2.gz RREQPEGCWVLRKA-LBPRGKRZSA-N 1 2 275.356 0.386 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085681522 821892874 /nfs/dbraw/zinc/89/28/74/821892874.db2.gz ZYXRWYJEIKIIMX-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085680881 821894038 /nfs/dbraw/zinc/89/40/38/821894038.db2.gz ONEJJFVEFDMIAR-OCCSQVGLSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688801 821903685 /nfs/dbraw/zinc/90/36/85/821903685.db2.gz RQVSSSSLBZSSQN-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688801 821903692 /nfs/dbraw/zinc/90/36/92/821903692.db2.gz RQVSSSSLBZSSQN-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001085723952 821920948 /nfs/dbraw/zinc/92/09/48/821920948.db2.gz JCCQAPGZFTZSMT-NSHDSACASA-N 1 2 292.335 0.981 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001085723952 821920958 /nfs/dbraw/zinc/92/09/58/821920958.db2.gz JCCQAPGZFTZSMT-NSHDSACASA-N 1 2 292.335 0.981 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085741777 821926271 /nfs/dbraw/zinc/92/62/71/821926271.db2.gz YUCMODLUCKUTDX-GFCCVEGCSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085741777 821926278 /nfs/dbraw/zinc/92/62/78/821926278.db2.gz YUCMODLUCKUTDX-GFCCVEGCSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085908001 822006794 /nfs/dbraw/zinc/00/67/94/822006794.db2.gz VBKAZSRCPTVBAL-CYBMUJFWSA-N 1 2 287.363 0.853 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085908001 822006798 /nfs/dbraw/zinc/00/67/98/822006798.db2.gz VBKAZSRCPTVBAL-CYBMUJFWSA-N 1 2 287.363 0.853 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001108303362 822349000 /nfs/dbraw/zinc/34/90/00/822349000.db2.gz VOPQDFAKKKMLJD-AWEZNQCLSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001108303362 822349008 /nfs/dbraw/zinc/34/90/08/822349008.db2.gz VOPQDFAKKKMLJD-AWEZNQCLSA-N 1 2 278.356 0.345 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108315682 822356489 /nfs/dbraw/zinc/35/64/89/822356489.db2.gz YGAPTZFJBCZYKM-ZBFHGGJFSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108315682 822356495 /nfs/dbraw/zinc/35/64/95/822356495.db2.gz YGAPTZFJBCZYKM-ZBFHGGJFSA-N 1 2 296.411 0.889 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001114004637 837401416 /nfs/dbraw/zinc/40/14/16/837401416.db2.gz JXPNQNHMXCFSNJ-PJXYFTJBSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001114004637 837401420 /nfs/dbraw/zinc/40/14/20/837401420.db2.gz JXPNQNHMXCFSNJ-PJXYFTJBSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)Cc2ccc(O)cc2)CC1 ZINC001183899954 844108312 /nfs/dbraw/zinc/10/83/12/844108312.db2.gz VFHCBEATXZNQJY-HNNXBMFYSA-N 1 2 290.363 0.626 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989751 836103469 /nfs/dbraw/zinc/10/34/69/836103469.db2.gz WQGSHVPFEXYJLW-MXWKQRLJSA-N 1 2 254.286 0.586 20 30 CCEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001108455866 836199985 /nfs/dbraw/zinc/19/99/85/836199985.db2.gz DFPYXZILCYEKIF-NSHDSACASA-N 1 2 298.350 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1nccnc1C#N ZINC001108468906 836264687 /nfs/dbraw/zinc/26/46/87/836264687.db2.gz RRXVBDSJVXIZFV-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485894 836285989 /nfs/dbraw/zinc/28/59/89/836285989.db2.gz RHOUPTXLJSGJLK-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21)c1cccnc1 ZINC001115306465 836495065 /nfs/dbraw/zinc/49/50/65/836495065.db2.gz PFMGRMIIPRMQKB-YJNKXOJESA-N 1 2 299.378 0.254 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718560 836514901 /nfs/dbraw/zinc/51/49/01/836514901.db2.gz IPGXCUZBIAEHJJ-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255412 836648605 /nfs/dbraw/zinc/64/86/05/836648605.db2.gz RNZMPZGUMDEIBQ-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109600959 836702834 /nfs/dbraw/zinc/70/28/34/836702834.db2.gz YAODHBNNOBZXDY-KVSVUVNWSA-N 1 2 290.367 0.004 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109600959 836702842 /nfs/dbraw/zinc/70/28/42/836702842.db2.gz YAODHBNNOBZXDY-KVSVUVNWSA-N 1 2 290.367 0.004 20 30 CCEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110015674 836762385 /nfs/dbraw/zinc/76/23/85/836762385.db2.gz XQWRLSKEEZMEHC-WOPDTQHZSA-N 1 2 292.383 0.394 20 30 CCEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110015674 836762392 /nfs/dbraw/zinc/76/23/92/836762392.db2.gz XQWRLSKEEZMEHC-WOPDTQHZSA-N 1 2 292.383 0.394 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nnn(C)c2C)CC1 ZINC001112738850 836891284 /nfs/dbraw/zinc/89/12/84/836891284.db2.gz PPYFCNRQOUVKAY-UHFFFAOYSA-N 1 2 293.371 0.084 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001113256551 837070346 /nfs/dbraw/zinc/07/03/46/837070346.db2.gz HFSQHTXKTXRDFK-AWEZNQCLSA-N 1 2 286.347 0.462 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1cncc(C#N)n1 ZINC001113313760 837083948 /nfs/dbraw/zinc/08/39/48/837083948.db2.gz MVELXXJYQFOCFA-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 ZINC001113734557 837209801 /nfs/dbraw/zinc/20/98/01/837209801.db2.gz PPGLGMSMVKFURL-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccnc(C#N)n1 ZINC001113898659 837358072 /nfs/dbraw/zinc/35/80/72/837358072.db2.gz ZFOFFEAOOFNDDZ-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO Cc1ccc(N[C@H](C#N)C(N)=O)c(C[NH+]2CCOCC2)c1 ZINC001170543242 838007831 /nfs/dbraw/zinc/00/78/31/838007831.db2.gz YEDSANBAMQBZCJ-CQSZACIVSA-N 1 2 288.351 0.617 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131971597 838275186 /nfs/dbraw/zinc/27/51/86/838275186.db2.gz KHFUMDZVIFFQQH-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131971597 838275190 /nfs/dbraw/zinc/27/51/90/838275190.db2.gz KHFUMDZVIFFQQH-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNCC#N ZINC001133240871 838581548 /nfs/dbraw/zinc/58/15/48/838581548.db2.gz BIHMIHPIWKDPHK-STQMWFEESA-N 1 2 289.383 0.560 20 30 CCEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001133371900 838613102 /nfs/dbraw/zinc/61/31/02/838613102.db2.gz XYMOURDWDVHOIG-STQMWFEESA-N 1 2 275.356 0.481 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001133379391 838614661 /nfs/dbraw/zinc/61/46/61/838614661.db2.gz ZQTJJXYRFWLTGC-CQSZACIVSA-N 1 2 295.387 0.944 20 30 CCEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1c[nH]nc1C#N ZINC001185225105 844367649 /nfs/dbraw/zinc/36/76/49/844367649.db2.gz WMHCOYDFWCMRAN-AWEZNQCLSA-N 1 2 299.334 0.713 20 30 CCEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1c[nH]nc1C#N ZINC001185225105 844367661 /nfs/dbraw/zinc/36/76/61/844367661.db2.gz WMHCOYDFWCMRAN-AWEZNQCLSA-N 1 2 299.334 0.713 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135520226 839269382 /nfs/dbraw/zinc/26/93/82/839269382.db2.gz IVTBFUKAJWODLC-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135520226 839269397 /nfs/dbraw/zinc/26/93/97/839269397.db2.gz IVTBFUKAJWODLC-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090672272 839725949 /nfs/dbraw/zinc/72/59/49/839725949.db2.gz REDXDUTYDIEUPS-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090672272 839725951 /nfs/dbraw/zinc/72/59/51/839725951.db2.gz REDXDUTYDIEUPS-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823322 839839172 /nfs/dbraw/zinc/83/91/72/839839172.db2.gz IZAWKSOMXQQRFH-QWHCGFSZSA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 ZINC001090823322 839839178 /nfs/dbraw/zinc/83/91/78/839839178.db2.gz IZAWKSOMXQQRFH-QWHCGFSZSA-N 1 2 297.786 0.861 20 30 CCEDLO C#CC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001143906889 839889807 /nfs/dbraw/zinc/88/98/07/839889807.db2.gz CAKCVPNKIAFKJL-CYBMUJFWSA-N 1 2 296.330 0.949 20 30 CCEDLO C=CC[C@H](C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144025798 839916600 /nfs/dbraw/zinc/91/66/00/839916600.db2.gz BCHBAGJZSOADBY-CMPLNLGQSA-N 1 2 279.340 0.833 20 30 CCEDLO C=C(C(=O)NCC[N@H+]1CCOC[C@H]1C)C(F)(F)F ZINC001144215365 839978622 /nfs/dbraw/zinc/97/86/22/839978622.db2.gz OVNSHYZRSMRFEX-MRVPVSSYSA-N 1 2 266.263 0.942 20 30 CCEDLO C=C(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C(F)(F)F ZINC001144215365 839978629 /nfs/dbraw/zinc/97/86/29/839978629.db2.gz OVNSHYZRSMRFEX-MRVPVSSYSA-N 1 2 266.263 0.942 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001149117847 840253512 /nfs/dbraw/zinc/25/35/12/840253512.db2.gz VCVGHMLNPWSBPO-UHFFFAOYSA-N 1 2 298.346 0.808 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147277880 840545890 /nfs/dbraw/zinc/54/58/90/840545890.db2.gz OZZWUHSNJHGSJO-UHFFFAOYSA-N 1 2 284.323 0.125 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncccn2)cn1 ZINC001148383230 840798502 /nfs/dbraw/zinc/79/85/02/840798502.db2.gz ZDRNXEWSDIAQBY-UHFFFAOYSA-N 1 2 281.319 0.373 20 30 CCEDLO Cc1[nH+]ccn1-c1cncc(N[C@@H]2C(=O)N(O)C[C@@H]2C)n1 ZINC001171362354 840949239 /nfs/dbraw/zinc/94/92/39/840949239.db2.gz CMQXYSKHZOJFTK-UFBFGSQYSA-N 1 2 288.311 0.619 20 30 CCEDLO Cc1cc(NCCNC(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001093750730 841450034 /nfs/dbraw/zinc/45/00/34/841450034.db2.gz KIHGRNNVUKDJSJ-UHFFFAOYSA-N 1 2 298.350 0.188 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001094150699 841549331 /nfs/dbraw/zinc/54/93/31/841549331.db2.gz WCPCSLYCWLPXLQ-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C)nn2)C1 ZINC001094270880 841576640 /nfs/dbraw/zinc/57/66/40/841576640.db2.gz IZVCTQDCKVJDIR-RISCZKNCSA-N 1 2 287.367 0.430 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNc1[nH+]cnc2c1cnn2C ZINC001094341787 841610302 /nfs/dbraw/zinc/61/03/02/841610302.db2.gz DQKRYDVWQJVDKW-VIFPVBQESA-N 1 2 287.327 0.441 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1cncc(C#N)n1 ZINC001094523750 841657157 /nfs/dbraw/zinc/65/71/57/841657157.db2.gz DLTKYIBMKNDAFZ-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cc[nH]c3)CC2=O)C1 ZINC001094738346 841716372 /nfs/dbraw/zinc/71/63/72/841716372.db2.gz JNVGMFFIXJHBRX-GFCCVEGCSA-N 1 2 288.351 0.216 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150078209 841955515 /nfs/dbraw/zinc/95/55/15/841955515.db2.gz IFERJMHHKWNREZ-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150078209 841955517 /nfs/dbraw/zinc/95/55/17/841955517.db2.gz IFERJMHHKWNREZ-GFCCVEGCSA-N 1 2 297.399 0.281 20 30 CCEDLO COc1cccc2c1C[C@H](N1CC[NH2+]C[C@H]1C#N)CO2 ZINC001173155187 842010816 /nfs/dbraw/zinc/01/08/16/842010816.db2.gz SATRUXOJQZVAQA-NWDGAFQWSA-N 1 2 273.336 0.796 20 30 CCEDLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586763 842115139 /nfs/dbraw/zinc/11/51/39/842115139.db2.gz FQIHYTFGJXNKAF-AKJDGMEZSA-N 1 2 254.330 0.972 20 30 CCEDLO C=CCOC(=O)c1c(N)nn(-c2c[nH+]ccc2OC)c1N ZINC001176117973 842330692 /nfs/dbraw/zinc/33/06/92/842330692.db2.gz FMAXHNIWOMOOHS-UHFFFAOYSA-N 1 2 289.295 0.783 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3cnccn3)C2)CCC1 ZINC001176515650 842383684 /nfs/dbraw/zinc/38/36/84/842383684.db2.gz KVLNHUUSHJGXNP-GFCCVEGCSA-N 1 2 285.351 0.828 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3cnccn3)C2)CCC1 ZINC001176515650 842383698 /nfs/dbraw/zinc/38/36/98/842383698.db2.gz KVLNHUUSHJGXNP-GFCCVEGCSA-N 1 2 285.351 0.828 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001176876511 842435016 /nfs/dbraw/zinc/43/50/16/842435016.db2.gz OJKCIDGIRRETQX-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001176876511 842435021 /nfs/dbraw/zinc/43/50/21/842435021.db2.gz OJKCIDGIRRETQX-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177079573 842503105 /nfs/dbraw/zinc/50/31/05/842503105.db2.gz DRKIGZBCNPTOOD-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177079573 842503112 /nfs/dbraw/zinc/50/31/12/842503112.db2.gz DRKIGZBCNPTOOD-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177079572 842503211 /nfs/dbraw/zinc/50/32/11/842503211.db2.gz DRKIGZBCNPTOOD-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO CC#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177079572 842503221 /nfs/dbraw/zinc/50/32/21/842503221.db2.gz DRKIGZBCNPTOOD-GJZGRUSLSA-N 1 2 294.395 0.474 20 30 CCEDLO C=C[C@@H]1C[C@]1(NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001177998731 842723808 /nfs/dbraw/zinc/72/38/08/842723808.db2.gz ZGFLCPMSEOUQPG-QMTHXVAHSA-N 1 2 277.324 0.966 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119546 842762602 /nfs/dbraw/zinc/76/26/02/842762602.db2.gz RWIJAUZTKSKHMA-BDAKNGLRSA-N 1 2 283.353 0.033 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178700798 842905797 /nfs/dbraw/zinc/90/57/97/842905797.db2.gz BHMZSYDRKNPLHO-JTQLQIEISA-N 1 2 291.311 0.792 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178700798 842905806 /nfs/dbraw/zinc/90/58/06/842905806.db2.gz BHMZSYDRKNPLHO-JTQLQIEISA-N 1 2 291.311 0.792 20 30 CCEDLO C#Cc1cc(NC(=O)Cc2cc[nH+]c(N)c2)ccn1 ZINC001181229101 843433629 /nfs/dbraw/zinc/43/36/29/843433629.db2.gz HABUNIHMAOWRBG-UHFFFAOYSA-N 1 2 252.277 0.643 20 30 CCEDLO C#CC[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)C(=O)OC ZINC001182272348 843762025 /nfs/dbraw/zinc/76/20/25/843762025.db2.gz QYWCRNZYEHDQHV-GFCCVEGCSA-N 1 2 299.392 0.498 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110295083 843822486 /nfs/dbraw/zinc/82/24/86/843822486.db2.gz JRAPHGYYKDXASJ-LOWDOPEQSA-N 1 2 292.383 0.394 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110295083 843822493 /nfs/dbraw/zinc/82/24/93/843822493.db2.gz JRAPHGYYKDXASJ-LOWDOPEQSA-N 1 2 292.383 0.394 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182869309 843932252 /nfs/dbraw/zinc/93/22/52/843932252.db2.gz LXCSXFUWVOADOS-ZJUUUORDSA-N 1 2 253.302 0.041 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182869309 843932255 /nfs/dbraw/zinc/93/22/55/843932255.db2.gz LXCSXFUWVOADOS-ZJUUUORDSA-N 1 2 253.302 0.041 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001190531855 845419087 /nfs/dbraw/zinc/41/90/87/845419087.db2.gz JQCNLMDDXVWGGA-JTQLQIEISA-N 1 2 255.318 0.061 20 30 CCEDLO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC001192296385 845817621 /nfs/dbraw/zinc/81/76/21/845817621.db2.gz HOSQGGJJMXNSIN-CYBMUJFWSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001192296385 845817639 /nfs/dbraw/zinc/81/76/39/845817639.db2.gz HOSQGGJJMXNSIN-CYBMUJFWSA-N 1 2 274.324 0.322 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192547084 845866592 /nfs/dbraw/zinc/86/65/92/845866592.db2.gz LVSZHUMTCYHUMU-HBYXTSOXSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192547084 845866597 /nfs/dbraw/zinc/86/65/97/845866597.db2.gz LVSZHUMTCYHUMU-HBYXTSOXSA-N 1 2 288.775 0.227 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192805221 845913212 /nfs/dbraw/zinc/91/32/12/845913212.db2.gz VETVFRZCXWLWQR-BCIKPAMSSA-N 1 2 270.760 0.560 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192805221 845913225 /nfs/dbraw/zinc/91/32/25/845913225.db2.gz VETVFRZCXWLWQR-BCIKPAMSSA-N 1 2 270.760 0.560 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001193095471 845993492 /nfs/dbraw/zinc/99/34/92/845993492.db2.gz XOQWZZJWESLJNO-MRVPVSSYSA-N 1 2 250.283 0.988 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001193178128 845997923 /nfs/dbraw/zinc/99/79/23/845997923.db2.gz BQLVVRBHBCUZPG-AAEUAGOBSA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001193178128 845997934 /nfs/dbraw/zinc/99/79/34/845997934.db2.gz BQLVVRBHBCUZPG-AAEUAGOBSA-N 1 2 294.380 0.487 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(F)F)C1 ZINC001193711426 846149681 /nfs/dbraw/zinc/14/96/81/846149681.db2.gz SFBNKGJSBPDPEV-GMTAPVOTSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(F)F)C1 ZINC001193711426 846149685 /nfs/dbraw/zinc/14/96/85/846149685.db2.gz SFBNKGJSBPDPEV-GMTAPVOTSA-N 1 2 274.311 0.462 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273669406 846200534 /nfs/dbraw/zinc/20/05/34/846200534.db2.gz SWRIPFLQPKXGDG-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO C#C[C@H]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001194355624 846273515 /nfs/dbraw/zinc/27/35/15/846273515.db2.gz NQWGEDKGDQPDMD-JOCQHMNTSA-N 1 2 285.413 0.260 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC001194945326 846423359 /nfs/dbraw/zinc/42/33/59/846423359.db2.gz JYIKBMMWQRRDRS-ZDUSSCGKSA-N 1 2 284.425 0.922 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC001194945326 846423362 /nfs/dbraw/zinc/42/33/62/846423362.db2.gz JYIKBMMWQRRDRS-ZDUSSCGKSA-N 1 2 284.425 0.922 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001195497567 846553397 /nfs/dbraw/zinc/55/33/97/846553397.db2.gz OZTOFPGQIMARGO-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001195497567 846553403 /nfs/dbraw/zinc/55/34/03/846553403.db2.gz OZTOFPGQIMARGO-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195747206 846619880 /nfs/dbraw/zinc/61/98/80/846619880.db2.gz NATMGFSPQRDESQ-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195747206 846619886 /nfs/dbraw/zinc/61/98/86/846619886.db2.gz NATMGFSPQRDESQ-UHFFFAOYSA-N 1 2 293.411 0.658 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195981805 846656666 /nfs/dbraw/zinc/65/66/66/846656666.db2.gz FYUUKZQJJLOVJD-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195981805 846656667 /nfs/dbraw/zinc/65/66/67/846656667.db2.gz FYUUKZQJJLOVJD-LBPRGKRZSA-N 1 2 281.400 0.997 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)Cc2ccccn2)CC1 ZINC001197857689 846982989 /nfs/dbraw/zinc/98/29/89/846982989.db2.gz XREOSAXMZZUGJT-UHFFFAOYSA-N 1 2 294.380 0.489 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001198842407 847189310 /nfs/dbraw/zinc/18/93/10/847189310.db2.gz SHAHWCOBOYANBU-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001198842407 847189319 /nfs/dbraw/zinc/18/93/19/847189319.db2.gz SHAHWCOBOYANBU-ZIAGYGMSSA-N 1 2 296.411 0.624 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110532112 847317717 /nfs/dbraw/zinc/31/77/17/847317717.db2.gz ZFJUCUVZHREKMH-LPWJVIDDSA-N 1 2 291.395 0.631 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110532112 847317725 /nfs/dbraw/zinc/31/77/25/847317725.db2.gz ZFJUCUVZHREKMH-LPWJVIDDSA-N 1 2 291.395 0.631 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)OC)C[C@@]2(F)C1=O ZINC001273803300 847531884 /nfs/dbraw/zinc/53/18/84/847531884.db2.gz FIBFSEMUVZGECR-UONOGXRCSA-N 1 2 286.322 0.619 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CC(C)(C)OC)C[C@@]2(F)C1=O ZINC001273803300 847531887 /nfs/dbraw/zinc/53/18/87/847531887.db2.gz FIBFSEMUVZGECR-UONOGXRCSA-N 1 2 286.322 0.619 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C)cc1C#N ZINC001201313465 847763676 /nfs/dbraw/zinc/76/36/76/847763676.db2.gz YYRJXAXCQSICET-STQMWFEESA-N 1 2 291.376 0.944 20 30 CCEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C)cc1C#N ZINC001201313465 847763682 /nfs/dbraw/zinc/76/36/82/847763682.db2.gz YYRJXAXCQSICET-STQMWFEESA-N 1 2 291.376 0.944 20 30 CCEDLO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201494311 847784897 /nfs/dbraw/zinc/78/48/97/847784897.db2.gz QTBRFSVLVMIXKZ-CQSZACIVSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+]([C@@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907529 847818251 /nfs/dbraw/zinc/81/82/51/847818251.db2.gz NCQAXHAIOLOJGQ-SWLSCSKDSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+]([C@@H](C)C(=O)OCC)C2)OCC1=O ZINC001273907529 847818258 /nfs/dbraw/zinc/81/82/58/847818258.db2.gz NCQAXHAIOLOJGQ-SWLSCSKDSA-N 1 2 296.367 0.427 20 30 CCEDLO C=C[C@](C)(O)C[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001252572716 848012218 /nfs/dbraw/zinc/01/22/18/848012218.db2.gz TWLMRFVQUDQYOB-LBPRGKRZSA-N 1 2 257.330 0.625 20 30 CCEDLO CCOC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274030389 848310250 /nfs/dbraw/zinc/31/02/50/848310250.db2.gz KZNYSQNBXIADGT-YNEHKIRRSA-N 1 2 293.367 0.917 20 30 CCEDLO CCOC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274030389 848310255 /nfs/dbraw/zinc/31/02/55/848310255.db2.gz KZNYSQNBXIADGT-YNEHKIRRSA-N 1 2 293.367 0.917 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F ZINC001274048517 848324121 /nfs/dbraw/zinc/32/41/21/848324121.db2.gz LPQLEEBLUJJYOZ-VEMNSZJBSA-N 1 2 252.211 0.782 20 30 CCEDLO C#CC[NH2+]C/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001274048517 848324129 /nfs/dbraw/zinc/32/41/29/848324129.db2.gz LPQLEEBLUJJYOZ-VEMNSZJBSA-N 1 2 252.211 0.782 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615244 848524408 /nfs/dbraw/zinc/52/44/08/848524408.db2.gz RBSDVAWGEHHRPG-HZSPNIEDSA-N 1 2 286.322 0.684 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615244 848524415 /nfs/dbraw/zinc/52/44/15/848524415.db2.gz RBSDVAWGEHHRPG-HZSPNIEDSA-N 1 2 286.322 0.684 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114682724 849361526 /nfs/dbraw/zinc/36/15/26/849361526.db2.gz CBSFTBFAPRVPCC-ITGUQSILSA-N 1 2 289.383 0.574 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114682724 849361539 /nfs/dbraw/zinc/36/15/39/849361539.db2.gz CBSFTBFAPRVPCC-ITGUQSILSA-N 1 2 289.383 0.574 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001038330684 849854861 /nfs/dbraw/zinc/85/48/61/849854861.db2.gz XGSZWFDELDRYHF-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001038330684 849854870 /nfs/dbraw/zinc/85/48/70/849854870.db2.gz XGSZWFDELDRYHF-GFCCVEGCSA-N 1 2 296.334 0.100 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001038397321 849878607 /nfs/dbraw/zinc/87/86/07/849878607.db2.gz YNAIPXNXUCMWNR-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001038397321 849878616 /nfs/dbraw/zinc/87/86/16/849878616.db2.gz YNAIPXNXUCMWNR-MGPQQGTHSA-N 1 2 281.400 0.472 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001038440977 849899962 /nfs/dbraw/zinc/89/99/62/849899962.db2.gz LYDOHWWSKFPCNZ-BPCQOVAHSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001038440977 849899966 /nfs/dbraw/zinc/89/99/66/849899966.db2.gz LYDOHWWSKFPCNZ-BPCQOVAHSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038524293 849931488 /nfs/dbraw/zinc/93/14/88/849931488.db2.gz XOIFVWMBDGXOHF-JTQLQIEISA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038524293 849931491 /nfs/dbraw/zinc/93/14/91/849931491.db2.gz XOIFVWMBDGXOHF-JTQLQIEISA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001038546534 849938349 /nfs/dbraw/zinc/93/83/49/849938349.db2.gz PFPLLZGLEGTFKG-NSHDSACASA-N 1 2 297.362 0.958 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001038546534 849938351 /nfs/dbraw/zinc/93/83/51/849938351.db2.gz PFPLLZGLEGTFKG-NSHDSACASA-N 1 2 297.362 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038586231 849952263 /nfs/dbraw/zinc/95/22/63/849952263.db2.gz NXWKXPWCLCNYJX-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038586231 849952273 /nfs/dbraw/zinc/95/22/73/849952273.db2.gz NXWKXPWCLCNYJX-GFCCVEGCSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1OC ZINC001038666288 849976714 /nfs/dbraw/zinc/97/67/14/849976714.db2.gz DVDQLYRQZZIMGK-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1OC ZINC001038666288 849976718 /nfs/dbraw/zinc/97/67/18/849976718.db2.gz DVDQLYRQZZIMGK-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001038690650 849984751 /nfs/dbraw/zinc/98/47/51/849984751.db2.gz IDTLCRCZSPWCPT-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001038690650 849984755 /nfs/dbraw/zinc/98/47/55/849984755.db2.gz IDTLCRCZSPWCPT-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001038814856 850023323 /nfs/dbraw/zinc/02/33/23/850023323.db2.gz WPUCUSNVJNMDEU-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001038814856 850023329 /nfs/dbraw/zinc/02/33/29/850023329.db2.gz WPUCUSNVJNMDEU-OAHLLOKOSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001038871483 850061503 /nfs/dbraw/zinc/06/15/03/850061503.db2.gz ILBYYBFAXSLBCW-LLVKDONJSA-N 1 2 261.325 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001038871483 850061515 /nfs/dbraw/zinc/06/15/15/850061515.db2.gz ILBYYBFAXSLBCW-LLVKDONJSA-N 1 2 261.325 0.673 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nn1 ZINC001038882644 850065604 /nfs/dbraw/zinc/06/56/04/850065604.db2.gz DZFQVHUVLBBBCN-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nn1 ZINC001038882644 850065614 /nfs/dbraw/zinc/06/56/14/850065614.db2.gz DZFQVHUVLBBBCN-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038970906 850104760 /nfs/dbraw/zinc/10/47/60/850104760.db2.gz MQRQWKVADGVQSW-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038970906 850104769 /nfs/dbraw/zinc/10/47/69/850104769.db2.gz MQRQWKVADGVQSW-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039058153 850142907 /nfs/dbraw/zinc/14/29/07/850142907.db2.gz YOIOPSMJLXBQGE-JTQLQIEISA-N 1 2 279.365 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039058153 850142909 /nfs/dbraw/zinc/14/29/09/850142909.db2.gz YOIOPSMJLXBQGE-JTQLQIEISA-N 1 2 279.365 0.837 20 30 CCEDLO C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001040489380 850296636 /nfs/dbraw/zinc/29/66/36/850296636.db2.gz PYIFVYVKQYARIQ-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001040489380 850296651 /nfs/dbraw/zinc/29/66/51/850296651.db2.gz PYIFVYVKQYARIQ-OAHLLOKOSA-N 1 2 287.367 0.295 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041343496 850433472 /nfs/dbraw/zinc/43/34/72/850433472.db2.gz AUNZGVITDNTPSI-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041343496 850433476 /nfs/dbraw/zinc/43/34/76/850433476.db2.gz AUNZGVITDNTPSI-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210374 850596399 /nfs/dbraw/zinc/59/63/99/850596399.db2.gz IKNGEBRPMRQNLV-ZJUUUORDSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210374 850596409 /nfs/dbraw/zinc/59/64/09/850596409.db2.gz IKNGEBRPMRQNLV-ZJUUUORDSA-N 1 2 271.748 0.147 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nn(C)cc2Cl)C1 ZINC001042780156 850758124 /nfs/dbraw/zinc/75/81/24/850758124.db2.gz JXWXGTVQFPDBRF-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001042840660 850768652 /nfs/dbraw/zinc/76/86/52/850768652.db2.gz HEAXPHWSDBMILT-ZDUSSCGKSA-N 1 2 293.411 0.820 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(OC)n(C)n2)C1 ZINC001043293939 850849419 /nfs/dbraw/zinc/84/94/19/850849419.db2.gz BZIFCUVPVSQRAW-UHFFFAOYSA-N 1 2 276.340 0.208 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001043331101 850855615 /nfs/dbraw/zinc/85/56/15/850855615.db2.gz TUDRARYZUAUPDD-UHFFFAOYSA-N 1 2 286.339 0.457 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cn(CC)nn2)C1 ZINC001043425414 850871206 /nfs/dbraw/zinc/87/12/06/850871206.db2.gz HYIMBFRFUWOHGC-UHFFFAOYSA-N 1 2 277.372 0.559 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCCO)C2)c1 ZINC001043819853 850939740 /nfs/dbraw/zinc/93/97/40/850939740.db2.gz DPOGSYXOYPATFX-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001043994890 850980578 /nfs/dbraw/zinc/98/05/78/850980578.db2.gz KBQUVOGMALHTEU-UHFFFAOYSA-N 1 2 286.379 0.927 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](C)OC)C2)cn1 ZINC001044205835 851041513 /nfs/dbraw/zinc/04/15/13/851041513.db2.gz KPSXUZILJSIIRE-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCCO)C2)nc1 ZINC001044203597 851042564 /nfs/dbraw/zinc/04/25/64/851042564.db2.gz QLTXCSHSHOTNJJ-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001044202451 851042979 /nfs/dbraw/zinc/04/29/79/851042979.db2.gz UQASYKOYPCJJBK-UHFFFAOYSA-N 1 2 299.374 0.971 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001044236550 851048612 /nfs/dbraw/zinc/04/86/12/851048612.db2.gz HYTZTHNOSHGEGA-LBPRGKRZSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001044343525 851082936 /nfs/dbraw/zinc/08/29/36/851082936.db2.gz PHSDBRJSCYCTDW-LLVKDONJSA-N 1 2 265.357 0.183 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC001044962730 851194442 /nfs/dbraw/zinc/19/44/42/851194442.db2.gz PLKDLZPOFRKZAY-QWRGUYRKSA-N 1 2 291.355 0.872 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001044960454 851195640 /nfs/dbraw/zinc/19/56/40/851195640.db2.gz DFSHHPGCRASDON-QWRGUYRKSA-N 1 2 291.355 0.872 20 30 CCEDLO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046002144 851346141 /nfs/dbraw/zinc/34/61/41/851346141.db2.gz JTRIYSZNWFUSRG-CYBMUJFWSA-N 1 2 264.373 0.384 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001046013277 851351492 /nfs/dbraw/zinc/35/14/92/851351492.db2.gz VYNYYRXRBPFHSF-JZIMQPMSSA-N 1 2 288.395 0.695 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001046013278 851353372 /nfs/dbraw/zinc/35/33/72/851353372.db2.gz VYNYYRXRBPFHSF-NHZBNJEXSA-N 1 2 288.395 0.695 20 30 CCEDLO CC1(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046043713 851357630 /nfs/dbraw/zinc/35/76/30/851357630.db2.gz KSWZEGKLEHTZGC-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046465168 851518333 /nfs/dbraw/zinc/51/83/33/851518333.db2.gz WWVGWHZNTIGHAH-AAEUAGOBSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046465168 851518341 /nfs/dbraw/zinc/51/83/41/851518341.db2.gz WWVGWHZNTIGHAH-AAEUAGOBSA-N 1 2 286.397 0.188 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#N)C2 ZINC001047179460 851678861 /nfs/dbraw/zinc/67/88/61/851678861.db2.gz YATBKBNXDQPHHK-XQQFMLRXSA-N 1 2 287.367 0.455 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001047358749 851735840 /nfs/dbraw/zinc/73/58/40/851735840.db2.gz JJXWGQLAAIOFCE-AAEUAGOBSA-N 1 2 291.351 0.480 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001047482870 851780344 /nfs/dbraw/zinc/78/03/44/851780344.db2.gz NPFJUQICESFSQY-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001047482870 851780349 /nfs/dbraw/zinc/78/03/49/851780349.db2.gz NPFJUQICESFSQY-STQMWFEESA-N 1 2 262.309 0.338 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001047493266 851783909 /nfs/dbraw/zinc/78/39/09/851783909.db2.gz INVMGIAZBRJCEF-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001047493266 851783919 /nfs/dbraw/zinc/78/39/19/851783919.db2.gz INVMGIAZBRJCEF-STQMWFEESA-N 1 2 276.336 0.728 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001047499206 851790695 /nfs/dbraw/zinc/79/06/95/851790695.db2.gz BQISPYJTOUDGGQ-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001047499206 851790701 /nfs/dbraw/zinc/79/07/01/851790701.db2.gz BQISPYJTOUDGGQ-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001047541626 851806355 /nfs/dbraw/zinc/80/63/55/851806355.db2.gz SEUVBZAQRAEYJQ-KBPBESRZSA-N 1 2 288.351 0.037 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001047541626 851806360 /nfs/dbraw/zinc/80/63/60/851806360.db2.gz SEUVBZAQRAEYJQ-KBPBESRZSA-N 1 2 288.351 0.037 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001047547378 851810691 /nfs/dbraw/zinc/81/06/91/851810691.db2.gz OVCKUQSWSOSOJQ-SOUVJXGZSA-N 1 2 290.338 0.834 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001047547378 851810695 /nfs/dbraw/zinc/81/06/95/851810695.db2.gz OVCKUQSWSOSOJQ-SOUVJXGZSA-N 1 2 290.338 0.834 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001047575974 851823183 /nfs/dbraw/zinc/82/31/83/851823183.db2.gz NADFTLWYHFXUMH-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001047575974 851823187 /nfs/dbraw/zinc/82/31/87/851823187.db2.gz NADFTLWYHFXUMH-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO Cn1c[nH+]cc1CCCn1ccc(C=NO)nc1=O ZINC000902262448 851918774 /nfs/dbraw/zinc/91/87/74/851918774.db2.gz AWOLLDRGVDBUPE-UHFFFAOYSA-N 1 2 261.285 0.418 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097163991 852508472 /nfs/dbraw/zinc/50/84/72/852508472.db2.gz BMWPNXBUYIHJFQ-LPEHRKFASA-N 1 2 299.338 0.582 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097370666 852531267 /nfs/dbraw/zinc/53/12/67/852531267.db2.gz GNMWKLPNEGLGIT-DGAVXFQQSA-N 1 2 299.378 0.691 20 30 CCEDLO CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 ZINC001053217567 852711017 /nfs/dbraw/zinc/71/10/17/852711017.db2.gz WMFBRKNGLLBWEO-UHFFFAOYSA-N 1 2 274.324 0.433 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CO1)CCO2 ZINC001053347640 852731955 /nfs/dbraw/zinc/73/19/55/852731955.db2.gz NUWKVDFGYQVSQE-ZIAGYGMSSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]1(F)CCOC1)CCO2 ZINC001053392754 852737340 /nfs/dbraw/zinc/73/73/40/852737340.db2.gz HFCHYBKXNHFQGP-HNNXBMFYSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001053448822 852746044 /nfs/dbraw/zinc/74/60/44/852746044.db2.gz JWSHTSOPJBVIDO-UHFFFAOYSA-N 1 2 276.340 0.051 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnsn1)CO2 ZINC001053745668 852799332 /nfs/dbraw/zinc/79/93/32/852799332.db2.gz OHYIGHSRVOFQMK-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)cn1)CO2 ZINC001053775614 852816010 /nfs/dbraw/zinc/81/60/10/852816010.db2.gz BWKMWGWELUMUCA-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCO1)CO2 ZINC001053778732 852818502 /nfs/dbraw/zinc/81/85/02/852818502.db2.gz GZEAXRANRLZGEX-ZIAGYGMSSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C)n1)CO2 ZINC001053786455 852821008 /nfs/dbraw/zinc/82/10/08/852821008.db2.gz HQCVCEBVSKTBJB-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1C)CO2 ZINC001053887337 852840027 /nfs/dbraw/zinc/84/00/27/852840027.db2.gz KWGGUUXDLGZLHG-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(C)c1)CO2 ZINC001053961929 852856418 /nfs/dbraw/zinc/85/64/18/852856418.db2.gz HMILSUFIPGFELF-OAHLLOKOSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnon1)CO2 ZINC001053962381 852856439 /nfs/dbraw/zinc/85/64/39/852856439.db2.gz QTKCHYCTJRGAIC-JTQLQIEISA-N 1 2 278.312 0.219 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nnn(C)n3)cc2C1 ZINC001054277932 852898953 /nfs/dbraw/zinc/89/89/53/852898953.db2.gz DUOICPNPZIVRPH-UHFFFAOYSA-N 1 2 296.334 0.089 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nnn(C)n3)cc2C1 ZINC001054277932 852898961 /nfs/dbraw/zinc/89/89/61/852898961.db2.gz DUOICPNPZIVRPH-UHFFFAOYSA-N 1 2 296.334 0.089 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001098006844 853123189 /nfs/dbraw/zinc/12/31/89/853123189.db2.gz NXKULYUEYBAKDU-SNVBAGLBSA-N 1 2 284.323 0.836 20 30 CCEDLO CC[C@H](CC#N)[N@@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173185 853402643 /nfs/dbraw/zinc/40/26/43/853402643.db2.gz WTWXULAJHIUMRH-TZMCWYRMSA-N 1 2 278.356 0.101 20 30 CCEDLO CC[C@H](CC#N)[N@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173185 853402648 /nfs/dbraw/zinc/40/26/48/853402648.db2.gz WTWXULAJHIUMRH-TZMCWYRMSA-N 1 2 278.356 0.101 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C ZINC001050843304 853456821 /nfs/dbraw/zinc/45/68/21/853456821.db2.gz FTPFPVURJMUATK-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C ZINC001050843304 853456822 /nfs/dbraw/zinc/45/68/22/853456822.db2.gz FTPFPVURJMUATK-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C ZINC001050846011 853458890 /nfs/dbraw/zinc/45/88/90/853458890.db2.gz UGUGCPLTDPTCMM-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C ZINC001050846011 853458891 /nfs/dbraw/zinc/45/88/91/853458891.db2.gz UGUGCPLTDPTCMM-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001050865155 853467121 /nfs/dbraw/zinc/46/71/21/853467121.db2.gz ISAWWPOLYWJSKE-GFCCVEGCSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001050865155 853467126 /nfs/dbraw/zinc/46/71/26/853467126.db2.gz ISAWWPOLYWJSKE-GFCCVEGCSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001050963413 853495018 /nfs/dbraw/zinc/49/50/18/853495018.db2.gz YXXXPIRESIQJBE-IHRRRGAJSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001050963413 853495020 /nfs/dbraw/zinc/49/50/20/853495020.db2.gz YXXXPIRESIQJBE-IHRRRGAJSA-N 1 2 298.383 0.183 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001051056438 853513301 /nfs/dbraw/zinc/51/33/01/853513301.db2.gz OIHGBSILNZIQGD-GFCCVEGCSA-N 1 2 293.371 0.510 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001051056438 853513303 /nfs/dbraw/zinc/51/33/03/853513303.db2.gz OIHGBSILNZIQGD-GFCCVEGCSA-N 1 2 293.371 0.510 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001051151410 853533721 /nfs/dbraw/zinc/53/37/21/853533721.db2.gz WHXBCAPLZPZYQS-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001051151410 853533727 /nfs/dbraw/zinc/53/37/27/853533727.db2.gz WHXBCAPLZPZYQS-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnon1 ZINC001051175951 853540730 /nfs/dbraw/zinc/54/07/30/853540730.db2.gz HGBZXMFZIPNNGF-NSHDSACASA-N 1 2 280.328 0.466 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnon1 ZINC001051175951 853540733 /nfs/dbraw/zinc/54/07/33/853540733.db2.gz HGBZXMFZIPNNGF-NSHDSACASA-N 1 2 280.328 0.466 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnn1 ZINC001051178400 853541888 /nfs/dbraw/zinc/54/18/88/853541888.db2.gz URSHHSUVPXVYQE-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnn1 ZINC001051178400 853541893 /nfs/dbraw/zinc/54/18/93/853541893.db2.gz URSHHSUVPXVYQE-CYBMUJFWSA-N 1 2 290.367 0.873 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)nc1 ZINC001051215653 853547628 /nfs/dbraw/zinc/54/76/28/853547628.db2.gz YABHYASYWRTBDL-OAHLLOKOSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)nc1 ZINC001051215653 853547631 /nfs/dbraw/zinc/54/76/31/853547631.db2.gz YABHYASYWRTBDL-OAHLLOKOSA-N 1 2 299.374 0.904 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001051495186 853596327 /nfs/dbraw/zinc/59/63/27/853596327.db2.gz RYBNDVXQMPHGFA-KOLCDFICSA-N 1 2 295.368 0.015 20 30 CCEDLO CC(C)[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067824 853680949 /nfs/dbraw/zinc/68/09/49/853680949.db2.gz OYDWMNVTSDMSFY-KGLIPLIRSA-N 1 2 296.390 0.723 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001068061913 853873248 /nfs/dbraw/zinc/87/32/48/853873248.db2.gz KDSXSGZPGCBPMH-NSHDSACASA-N 1 2 291.355 0.419 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](n2ccnn2)C1 ZINC001069889172 853994771 /nfs/dbraw/zinc/99/47/71/853994771.db2.gz KFUTUGYSYOBUFK-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](n2ccnn2)C1 ZINC001069889172 853994772 /nfs/dbraw/zinc/99/47/72/853994772.db2.gz KFUTUGYSYOBUFK-KGLIPLIRSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](n2ccnn2)C1 ZINC001070016418 854018040 /nfs/dbraw/zinc/01/80/40/854018040.db2.gz JXUFOVGGKIKMHJ-KGLIPLIRSA-N 1 2 299.378 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](n2ccnn2)C1 ZINC001070016418 854018042 /nfs/dbraw/zinc/01/80/42/854018042.db2.gz JXUFOVGGKIKMHJ-KGLIPLIRSA-N 1 2 299.378 0.609 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NCC#N ZINC001070650246 854084504 /nfs/dbraw/zinc/08/45/04/854084504.db2.gz PWKVXQFECBGMCO-CHWSQXEVSA-N 1 2 298.350 0.470 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC)C1 ZINC001070899390 854099858 /nfs/dbraw/zinc/09/98/58/854099858.db2.gz WUAPRUCLYBXVDI-XQQFMLRXSA-N 1 2 293.367 0.688 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC)C1 ZINC001070899390 854099865 /nfs/dbraw/zinc/09/98/65/854099865.db2.gz WUAPRUCLYBXVDI-XQQFMLRXSA-N 1 2 293.367 0.688 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001071533420 854232384 /nfs/dbraw/zinc/23/23/84/854232384.db2.gz GWUINPVXOWEMHP-JQWIXIFHSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001071533420 854232389 /nfs/dbraw/zinc/23/23/89/854232389.db2.gz GWUINPVXOWEMHP-JQWIXIFHSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001071778329 854288014 /nfs/dbraw/zinc/28/80/14/854288014.db2.gz SHDWPBSVJQMBIP-QWHCGFSZSA-N 1 2 290.367 0.812 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071803464 854297893 /nfs/dbraw/zinc/29/78/93/854297893.db2.gz MONNXZRISFBKKD-NWDGAFQWSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071803464 854297902 /nfs/dbraw/zinc/29/79/02/854297902.db2.gz MONNXZRISFBKKD-NWDGAFQWSA-N 1 2 290.367 0.732 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)cn1 ZINC001074384211 854723348 /nfs/dbraw/zinc/72/33/48/854723348.db2.gz CQRZOUMNNZENMN-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)cn1 ZINC001074384211 854723349 /nfs/dbraw/zinc/72/33/49/854723349.db2.gz CQRZOUMNNZENMN-HOTGVXAUSA-N 1 2 299.374 0.998 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001074718420 854770297 /nfs/dbraw/zinc/77/02/97/854770297.db2.gz PMIBMQAUPNJCIR-OBJOEFQTSA-N 1 2 287.367 0.548 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001098344842 854859167 /nfs/dbraw/zinc/85/91/67/854859167.db2.gz WXAZQVAAQFRKIK-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1cnc(C#N)cn1 ZINC001098344842 854859171 /nfs/dbraw/zinc/85/91/71/854859171.db2.gz WXAZQVAAQFRKIK-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc[nH]n2)C1 ZINC001099084785 854912335 /nfs/dbraw/zinc/91/23/35/854912335.db2.gz BEQSWQMXKTWREM-GWCFXTLKSA-N 1 2 259.313 0.022 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001099713017 854975980 /nfs/dbraw/zinc/97/59/80/854975980.db2.gz JQPPTVRILSTLMC-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001100251078 855129374 /nfs/dbraw/zinc/12/93/74/855129374.db2.gz ZVSGOPDHGROUGK-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO Cc1nc(N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102702857 855465344 /nfs/dbraw/zinc/46/53/44/855465344.db2.gz ZTYQITVJTZRQHB-PWSUYJOCSA-N 1 2 273.340 0.982 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001103335095 855512728 /nfs/dbraw/zinc/51/27/28/855512728.db2.gz UTEBGFFJPZEDNH-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001103334542 855513409 /nfs/dbraw/zinc/51/34/09/855513409.db2.gz FVOJEFRGWPEHFX-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104089846 855567854 /nfs/dbraw/zinc/56/78/54/855567854.db2.gz QSGZWLDJUCZKSF-NWDGAFQWSA-N 1 2 290.367 0.988 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001115766611 855694841 /nfs/dbraw/zinc/69/48/41/855694841.db2.gz LUXKXLMCKYNDQF-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO COCC#CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001118634453 856374017 /nfs/dbraw/zinc/37/40/17/856374017.db2.gz NHBTWJHUHNDXJZ-UHFFFAOYSA-N 1 2 258.321 0.768 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)Cc2ccc(C#N)nc2)c1 ZINC001118971699 856513514 /nfs/dbraw/zinc/51/35/14/856513514.db2.gz ZCFBFBHMRZHBQH-UHFFFAOYSA-N 1 2 269.308 0.588 20 30 CCEDLO C=CCO[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001119284199 856612514 /nfs/dbraw/zinc/61/25/14/856612514.db2.gz BSBHMCRNBFAQJB-GFCCVEGCSA-N 1 2 285.369 0.490 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)[nH]1 ZINC001119567282 856744369 /nfs/dbraw/zinc/74/43/69/856744369.db2.gz NVFGHELETQCYLV-NSHDSACASA-N 1 2 273.340 0.396 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)[nH]1 ZINC001119567282 856744374 /nfs/dbraw/zinc/74/43/74/856744374.db2.gz NVFGHELETQCYLV-NSHDSACASA-N 1 2 273.340 0.396 20 30 CCEDLO C=CCn1cc(C[NH2+]C2CC(S(C)(=O)=O)C2)nn1 ZINC001120057788 856972597 /nfs/dbraw/zinc/97/25/97/856972597.db2.gz KPTFRPFNSZJQMA-UHFFFAOYSA-N 1 2 270.358 0.129 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(CC)CCNC1=O ZINC001323245948 912216189 /nfs/dbraw/zinc/21/61/89/912216189.db2.gz JDNYZEGUDLJATJ-IUODEOHRSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(CC)CCNC1=O ZINC001323245948 912216203 /nfs/dbraw/zinc/21/62/03/912216203.db2.gz JDNYZEGUDLJATJ-IUODEOHRSA-N 1 2 277.368 0.117 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001393106983 912401182 /nfs/dbraw/zinc/40/11/82/912401182.db2.gz RGTZNLXGXFLBEW-NHYWBVRUSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001393106983 912401186 /nfs/dbraw/zinc/40/11/86/912401186.db2.gz RGTZNLXGXFLBEW-NHYWBVRUSA-N 1 2 292.383 0.253 20 30 CCEDLO N#CCCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC001323880811 912559510 /nfs/dbraw/zinc/55/95/10/912559510.db2.gz NMFBGTZFKPOMOH-UHFFFAOYSA-N 1 2 268.342 0.722 20 30 CCEDLO CC(C)OCC[NH+]1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001323897531 912569982 /nfs/dbraw/zinc/56/99/82/912569982.db2.gz BDHJDBKUYFZYDM-LLVKDONJSA-N 1 2 253.346 0.714 20 30 CCEDLO Cc1noc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCC2)n1 ZINC001393534267 912633451 /nfs/dbraw/zinc/63/34/51/912633451.db2.gz NEFDFTIMIHKHMS-SECBINFHSA-N 1 2 277.328 0.666 20 30 CCEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC001324352155 912796907 /nfs/dbraw/zinc/79/69/07/912796907.db2.gz AIPRMAUSLOMVGO-UHFFFAOYSA-N 1 2 272.352 0.923 20 30 CCEDLO CCn1cc(C(=O)C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001324482946 912866704 /nfs/dbraw/zinc/86/67/04/912866704.db2.gz SDJUPKZPTHRCBP-UHFFFAOYSA-N 1 2 289.339 0.190 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC001394289652 913115606 /nfs/dbraw/zinc/11/56/06/913115606.db2.gz NMHCVSDRYCBTNZ-JQWIXIFHSA-N 1 2 290.371 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC001394289652 913115617 /nfs/dbraw/zinc/11/56/17/913115617.db2.gz NMHCVSDRYCBTNZ-JQWIXIFHSA-N 1 2 290.371 0.301 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(CC)CC)C1 ZINC001325183850 913264144 /nfs/dbraw/zinc/26/41/44/913264144.db2.gz DPNDYAOUTNUWEN-UHFFFAOYSA-N 1 2 252.358 0.609 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001325284745 913319869 /nfs/dbraw/zinc/31/98/69/913319869.db2.gz HFICDHMYJBMCAJ-AWEZNQCLSA-N 1 2 294.395 0.522 20 30 CCEDLO C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)N(C)CC#N ZINC001282391526 891429926 /nfs/dbraw/zinc/42/99/26/891429926.db2.gz PJMFJVJNZIGNMT-GFCCVEGCSA-N 1 2 289.383 0.722 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001395131260 913556922 /nfs/dbraw/zinc/55/69/22/913556922.db2.gz FUBFKSLTJASDIT-ZJUUUORDSA-N 1 2 291.355 0.383 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001395162494 913569758 /nfs/dbraw/zinc/56/97/58/913569758.db2.gz VAEZFQPMOKVXPF-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001395162494 913569769 /nfs/dbraw/zinc/56/97/69/913569769.db2.gz VAEZFQPMOKVXPF-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1csnn1 ZINC001348972474 891727189 /nfs/dbraw/zinc/72/71/89/891727189.db2.gz KJMCCZIXZNFFHP-NXEZZACHSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1csnn1 ZINC001348972474 891727198 /nfs/dbraw/zinc/72/71/98/891727198.db2.gz KJMCCZIXZNFFHP-NXEZZACHSA-N 1 2 269.374 0.395 20 30 CCEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1csnn1 ZINC001348972474 891727204 /nfs/dbraw/zinc/72/72/04/891727204.db2.gz KJMCCZIXZNFFHP-NXEZZACHSA-N 1 2 269.374 0.395 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001480910042 891749632 /nfs/dbraw/zinc/74/96/32/891749632.db2.gz YHWBKKJRVWDKQS-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001480910042 891749644 /nfs/dbraw/zinc/74/96/44/891749644.db2.gz YHWBKKJRVWDKQS-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccncn1 ZINC001480926442 891841579 /nfs/dbraw/zinc/84/15/79/891841579.db2.gz VSQBLMHZXMVMPZ-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001480926442 891841591 /nfs/dbraw/zinc/84/15/91/891841591.db2.gz VSQBLMHZXMVMPZ-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO CC(C)NC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC001325940210 913646645 /nfs/dbraw/zinc/64/66/45/913646645.db2.gz FRHFKZFGGYZGGU-UHFFFAOYSA-N 1 2 268.390 0.693 20 30 CCEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001268021464 892567253 /nfs/dbraw/zinc/56/72/53/892567253.db2.gz GZMHIRQWQVULTH-CQSZACIVSA-N 1 2 282.384 0.564 20 30 CCEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001268021464 892567260 /nfs/dbraw/zinc/56/72/60/892567260.db2.gz GZMHIRQWQVULTH-CQSZACIVSA-N 1 2 282.384 0.564 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)OCC(C)C)C1 ZINC001481548288 892802599 /nfs/dbraw/zinc/80/25/99/892802599.db2.gz WSCMCUBTEQALCF-LBPRGKRZSA-N 1 2 252.358 0.871 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001481555297 892819400 /nfs/dbraw/zinc/81/94/00/892819400.db2.gz IAIBRKKTGKLXRH-BBRMVZONSA-N 1 2 296.411 0.929 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)NCC=C)C1 ZINC001481614781 892907471 /nfs/dbraw/zinc/90/74/71/892907471.db2.gz VLFFIAIFRMYLDO-UHFFFAOYSA-N 1 2 265.357 0.303 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001481688640 892998982 /nfs/dbraw/zinc/99/89/82/892998982.db2.gz GJGJWVCRWADUAO-ZDUSSCGKSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001481688640 892998995 /nfs/dbraw/zinc/99/89/95/892998995.db2.gz GJGJWVCRWADUAO-ZDUSSCGKSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1 ZINC001481809804 893176375 /nfs/dbraw/zinc/17/63/75/893176375.db2.gz BDOMTNDAZAMCPC-PWSUYJOCSA-N 1 2 294.355 0.401 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](CC=C)CCO1 ZINC001482185071 893474684 /nfs/dbraw/zinc/47/46/84/893474684.db2.gz PVDHKGRXBSXNER-LBPRGKRZSA-N 1 2 254.330 0.192 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](CC=C)CCO1 ZINC001482185071 893474696 /nfs/dbraw/zinc/47/46/96/893474696.db2.gz PVDHKGRXBSXNER-LBPRGKRZSA-N 1 2 254.330 0.192 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001268688836 893486915 /nfs/dbraw/zinc/48/69/15/893486915.db2.gz MQWPFSOECJCCEU-VHSXEESVSA-N 1 2 282.369 0.171 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001269206304 893560124 /nfs/dbraw/zinc/56/01/24/893560124.db2.gz USHYTHKLQFVBBR-HIFRSBDPSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001269206304 893560133 /nfs/dbraw/zinc/56/01/33/893560133.db2.gz USHYTHKLQFVBBR-HIFRSBDPSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001496702770 893931772 /nfs/dbraw/zinc/93/17/72/893931772.db2.gz YUMJBFHTPBIJLX-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001496702770 893931784 /nfs/dbraw/zinc/93/17/84/893931784.db2.gz YUMJBFHTPBIJLX-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CCC1 ZINC001482573671 894258327 /nfs/dbraw/zinc/25/83/27/894258327.db2.gz JMCIVTWACHSXKS-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CCC1 ZINC001482573671 894258342 /nfs/dbraw/zinc/25/83/42/894258342.db2.gz JMCIVTWACHSXKS-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@@H](O)C1 ZINC001083447666 894622744 /nfs/dbraw/zinc/62/27/44/894622744.db2.gz CLVGVBIMVVNTNE-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@@H](O)C1 ZINC001083447666 894622748 /nfs/dbraw/zinc/62/27/48/894622748.db2.gz CLVGVBIMVVNTNE-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001483005913 894797222 /nfs/dbraw/zinc/79/72/22/894797222.db2.gz IMWQARXRFMSBFQ-ARJAWSKDSA-N 1 2 272.352 0.898 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001483114540 894932633 /nfs/dbraw/zinc/93/26/33/894932633.db2.gz MIFCUWCBEVRSLE-ZJUUUORDSA-N 1 2 282.344 0.736 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631542 895753746 /nfs/dbraw/zinc/75/37/46/895753746.db2.gz UCFNDRWGSPTIQA-UONOGXRCSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631542 895753765 /nfs/dbraw/zinc/75/37/65/895753765.db2.gz UCFNDRWGSPTIQA-UONOGXRCSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001483652251 895799563 /nfs/dbraw/zinc/79/95/63/895799563.db2.gz GEWIAKUGMGSCET-YPMHNXCESA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001483652251 895799574 /nfs/dbraw/zinc/79/95/74/895799574.db2.gz GEWIAKUGMGSCET-YPMHNXCESA-N 1 2 289.335 0.222 20 30 CCEDLO Cc1nonc1C[NH2+]C1(CNC(=O)CSCC#N)CC1 ZINC001483716798 895903617 /nfs/dbraw/zinc/90/36/17/895903617.db2.gz KBPCVSCMLOYFLO-UHFFFAOYSA-N 1 2 295.368 0.373 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2N(C)C)C1 ZINC001031387597 896019674 /nfs/dbraw/zinc/01/96/74/896019674.db2.gz MCYBJMXRIMQFEL-UHFFFAOYSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C(CC=C)CC=C)C1 ZINC001484274308 896305955 /nfs/dbraw/zinc/30/59/55/896305955.db2.gz CQBGROXABKOSMY-UHFFFAOYSA-N 1 2 276.380 0.941 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(F)CCCC2)C1 ZINC001484280702 896317252 /nfs/dbraw/zinc/31/72/52/896317252.db2.gz GNKANNHCFSGMMB-UHFFFAOYSA-N 1 2 268.332 0.455 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001326630078 914063208 /nfs/dbraw/zinc/06/32/08/914063208.db2.gz YEDNZGKNEXDTSH-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001326630078 914063225 /nfs/dbraw/zinc/06/32/25/914063225.db2.gz YEDNZGKNEXDTSH-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001326627750 914063987 /nfs/dbraw/zinc/06/39/87/914063987.db2.gz NYURRLWKXGMZAG-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001326627750 914064004 /nfs/dbraw/zinc/06/40/04/914064004.db2.gz NYURRLWKXGMZAG-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CNC(=O)CC)CCO2 ZINC001484772834 896592848 /nfs/dbraw/zinc/59/28/48/896592848.db2.gz FAXLMDSFFOKPJZ-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)CO2 ZINC001484791586 896607776 /nfs/dbraw/zinc/60/77/76/896607776.db2.gz SJRCTKDSQRNQID-SNVBAGLBSA-N 1 2 290.310 0.414 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)OCC)CO2 ZINC001484793256 896608025 /nfs/dbraw/zinc/60/80/25/896608025.db2.gz XAELIFNBSJODJG-STQMWFEESA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@H](NCC#N)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001493851640 896671161 /nfs/dbraw/zinc/67/11/61/896671161.db2.gz WMLTUVLPEBTLGR-LBPRGKRZSA-N 1 2 275.356 0.623 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC001326690058 914098339 /nfs/dbraw/zinc/09/83/39/914098339.db2.gz MJVIKANRISZRPX-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001485553801 897115307 /nfs/dbraw/zinc/11/53/07/897115307.db2.gz LXCWQYDQZNMYDE-ZFWWWQNUSA-N 1 2 296.436 0.922 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001485553801 897115316 /nfs/dbraw/zinc/11/53/16/897115316.db2.gz LXCWQYDQZNMYDE-ZFWWWQNUSA-N 1 2 296.436 0.922 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001077722660 897336957 /nfs/dbraw/zinc/33/69/57/897336957.db2.gz ZSRFEEBCALTWHO-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001077722660 897336969 /nfs/dbraw/zinc/33/69/69/897336969.db2.gz ZSRFEEBCALTWHO-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001107843191 897339190 /nfs/dbraw/zinc/33/91/90/897339190.db2.gz FSUFFBWRMHAWEN-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001107843191 897339201 /nfs/dbraw/zinc/33/92/01/897339201.db2.gz FSUFFBWRMHAWEN-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001077756987 897419103 /nfs/dbraw/zinc/41/91/03/897419103.db2.gz QMMQXFPXERKQNO-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001077756987 897419112 /nfs/dbraw/zinc/41/91/12/897419112.db2.gz QMMQXFPXERKQNO-VXGBXAGGSA-N 1 2 277.324 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(OC)no1 ZINC001032427348 897550608 /nfs/dbraw/zinc/55/06/08/897550608.db2.gz VBBFJIWRGZWTER-RYUDHWBXSA-N 1 2 289.335 0.534 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(OC)no1 ZINC001032427348 897550612 /nfs/dbraw/zinc/55/06/12/897550612.db2.gz VBBFJIWRGZWTER-RYUDHWBXSA-N 1 2 289.335 0.534 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1C ZINC001032426234 897551357 /nfs/dbraw/zinc/55/13/57/897551357.db2.gz CKSDBJCCKSJWEV-GJZGRUSLSA-N 1 2 286.379 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1C ZINC001032426234 897551375 /nfs/dbraw/zinc/55/13/75/897551375.db2.gz CKSDBJCCKSJWEV-GJZGRUSLSA-N 1 2 286.379 0.579 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2COC)C1 ZINC001077803830 897558442 /nfs/dbraw/zinc/55/84/42/897558442.db2.gz WSKLRHPVVGJNHG-MWLCHTKSSA-N 1 2 297.380 0.250 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2COC)C1 ZINC001077803830 897558457 /nfs/dbraw/zinc/55/84/57/897558457.db2.gz WSKLRHPVVGJNHG-MWLCHTKSSA-N 1 2 297.380 0.250 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001032523700 897700388 /nfs/dbraw/zinc/70/03/88/897700388.db2.gz GWSKVCVCNFXMRV-KBPBESRZSA-N 1 2 285.347 0.882 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001032523700 897700392 /nfs/dbraw/zinc/70/03/92/897700392.db2.gz GWSKVCVCNFXMRV-KBPBESRZSA-N 1 2 285.347 0.882 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(CC)nn1 ZINC001032534646 897713233 /nfs/dbraw/zinc/71/32/33/897713233.db2.gz YOZHQVHBAUCTJV-KBPBESRZSA-N 1 2 287.367 0.149 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn(CC)nn1 ZINC001032534646 897713241 /nfs/dbraw/zinc/71/32/41/897713241.db2.gz YOZHQVHBAUCTJV-KBPBESRZSA-N 1 2 287.367 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccn1 ZINC001032560027 897745503 /nfs/dbraw/zinc/74/55/03/897745503.db2.gz QTPZSCCJZBQGQZ-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccn1 ZINC001032560027 897745517 /nfs/dbraw/zinc/74/55/17/897745517.db2.gz QTPZSCCJZBQGQZ-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001032591613 897787326 /nfs/dbraw/zinc/78/73/26/897787326.db2.gz BVEGOEUWCRVYOE-RWMBFGLXSA-N 1 2 299.378 0.533 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001032591613 897787333 /nfs/dbraw/zinc/78/73/33/897787333.db2.gz BVEGOEUWCRVYOE-RWMBFGLXSA-N 1 2 299.378 0.533 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cccnn12 ZINC001032669749 897915487 /nfs/dbraw/zinc/91/54/87/897915487.db2.gz YYFRSSZCHZTLAC-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cccnn12 ZINC001032669749 897915500 /nfs/dbraw/zinc/91/55/00/897915500.db2.gz YYFRSSZCHZTLAC-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2nccc2nc1C ZINC001032707959 897941163 /nfs/dbraw/zinc/94/11/63/897941163.db2.gz SUXMSYPNIBIMBL-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2nccc2nc1C ZINC001032707959 897941177 /nfs/dbraw/zinc/94/11/77/897941177.db2.gz SUXMSYPNIBIMBL-STQMWFEESA-N 1 2 295.346 0.570 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC2CC2)nn1 ZINC001032704905 897943057 /nfs/dbraw/zinc/94/30/57/897943057.db2.gz VXQDYEHFSGYRPD-KBPBESRZSA-N 1 2 299.378 0.610 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC2CC2)nn1 ZINC001032704905 897943068 /nfs/dbraw/zinc/94/30/68/897943068.db2.gz VXQDYEHFSGYRPD-KBPBESRZSA-N 1 2 299.378 0.610 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1COCC[N@H+]1CCC[C@H](C)O ZINC001272859110 898083743 /nfs/dbraw/zinc/08/37/43/898083743.db2.gz LOJDCLZQOFZFSH-GJZGRUSLSA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1COCC[N@@H+]1CCC[C@H](C)O ZINC001272859110 898083750 /nfs/dbraw/zinc/08/37/50/898083750.db2.gz LOJDCLZQOFZFSH-GJZGRUSLSA-N 1 2 296.411 0.624 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001108003257 898095989 /nfs/dbraw/zinc/09/59/89/898095989.db2.gz DOQWAPWZANWZJA-KCQAQPDRSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001108003257 898095995 /nfs/dbraw/zinc/09/59/95/898095995.db2.gz DOQWAPWZANWZJA-KCQAQPDRSA-N 1 2 298.383 0.183 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001077991058 898163728 /nfs/dbraw/zinc/16/37/28/898163728.db2.gz GHKZYWDDIOVQAS-CHWSQXEVSA-N 1 2 290.363 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001077991058 898163743 /nfs/dbraw/zinc/16/37/43/898163743.db2.gz GHKZYWDDIOVQAS-CHWSQXEVSA-N 1 2 290.363 0.949 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001032777890 898167730 /nfs/dbraw/zinc/16/77/30/898167730.db2.gz SOJBOZDTZIBPRZ-KBPBESRZSA-N 1 2 283.331 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001032777890 898167740 /nfs/dbraw/zinc/16/77/40/898167740.db2.gz SOJBOZDTZIBPRZ-KBPBESRZSA-N 1 2 283.331 0.317 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001078110410 898243657 /nfs/dbraw/zinc/24/36/57/898243657.db2.gz BBHZJMXDKOQVMZ-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001078110410 898243674 /nfs/dbraw/zinc/24/36/74/898243674.db2.gz BBHZJMXDKOQVMZ-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001078189342 898285655 /nfs/dbraw/zinc/28/56/55/898285655.db2.gz MDTMYTSILKDURD-CHWSQXEVSA-N 1 2 288.351 0.008 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001078189342 898285672 /nfs/dbraw/zinc/28/56/72/898285672.db2.gz MDTMYTSILKDURD-CHWSQXEVSA-N 1 2 288.351 0.008 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001078215498 898300332 /nfs/dbraw/zinc/30/03/32/898300332.db2.gz XDNOOLHVGJFJFO-IIAWOOMASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001078215498 898300338 /nfs/dbraw/zinc/30/03/38/898300338.db2.gz XDNOOLHVGJFJFO-IIAWOOMASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001078220091 898302542 /nfs/dbraw/zinc/30/25/42/898302542.db2.gz ZHKWYUWSTRTVIO-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001078220091 898302550 /nfs/dbraw/zinc/30/25/50/898302550.db2.gz ZHKWYUWSTRTVIO-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229699 898305265 /nfs/dbraw/zinc/30/52/65/898305265.db2.gz UQKOBBWDUJJKOR-RBSFLKMASA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229699 898305272 /nfs/dbraw/zinc/30/52/72/898305272.db2.gz UQKOBBWDUJJKOR-RBSFLKMASA-N 1 2 293.411 0.045 20 30 CCEDLO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078229699 898305297 /nfs/dbraw/zinc/30/52/97/898305297.db2.gz UQKOBBWDUJJKOR-RBSFLKMASA-N 1 2 293.411 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1nc(C)cc1C ZINC001032813126 898440778 /nfs/dbraw/zinc/44/07/78/898440778.db2.gz NCDWWQXFBGYODH-KKUMJFAQSA-N 1 2 286.379 0.979 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1nc(C)cc1C ZINC001032813126 898440786 /nfs/dbraw/zinc/44/07/86/898440786.db2.gz NCDWWQXFBGYODH-KKUMJFAQSA-N 1 2 286.379 0.979 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001485991182 898579883 /nfs/dbraw/zinc/57/98/83/898579883.db2.gz ONAHQIRKPHFKNM-GXFFZTMASA-N 1 2 299.396 0.037 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001197575177 900062785 /nfs/dbraw/zinc/06/27/85/900062785.db2.gz PMTBUHXHYKHIAS-MGPQQGTHSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001197575177 900062800 /nfs/dbraw/zinc/06/28/00/900062800.db2.gz PMTBUHXHYKHIAS-MGPQQGTHSA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001488816685 900386798 /nfs/dbraw/zinc/38/67/98/900386798.db2.gz MXQPZNZEODRZMW-XYPYZODXSA-N 1 2 278.360 0.161 20 30 CCEDLO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001488856434 900394969 /nfs/dbraw/zinc/39/49/69/900394969.db2.gz SVNOBLHZLTYIHY-MGCOHNPYSA-N 1 2 264.304 0.670 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CSCC#N)o1 ZINC001321790109 900984164 /nfs/dbraw/zinc/98/41/64/900984164.db2.gz MMORPUZYHVBQAL-DTWKUNHWSA-N 1 2 297.384 0.790 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001411664121 901186710 /nfs/dbraw/zinc/18/67/10/901186710.db2.gz FDSYEZRNBDJUNO-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001398177221 914559390 /nfs/dbraw/zinc/55/93/90/914559390.db2.gz VWGVDQQOWOEJRI-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO N#CCCOCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327538005 914601789 /nfs/dbraw/zinc/60/17/89/914601789.db2.gz NAKZPXIKGVYUJE-ZDUSSCGKSA-N 1 2 253.346 0.323 20 30 CCEDLO COCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042630203 902679075 /nfs/dbraw/zinc/67/90/75/902679075.db2.gz DELMMSWKYNWBSS-UHFFFAOYSA-N 1 2 262.313 0.289 20 30 CCEDLO N#Cc1ccc(C[NH2+]Cc2cn(CC(N)=O)nn2)cc1F ZINC001413216230 902793104 /nfs/dbraw/zinc/79/31/04/902793104.db2.gz KWECGOHAACUORL-UHFFFAOYSA-N 1 2 288.286 0.064 20 30 CCEDLO CS(=O)(=O)Cc1n[nH]c(C[NH2+]C2CCC(C#N)CC2)n1 ZINC001413253157 902816368 /nfs/dbraw/zinc/81/63/68/902816368.db2.gz OYBUYQXYJLQFGQ-UHFFFAOYSA-N 1 2 297.384 0.521 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001491085104 903342271 /nfs/dbraw/zinc/34/22/71/903342271.db2.gz ISXCVEKTVFALHN-TXEJJXNPSA-N 1 2 261.329 0.424 20 30 CCEDLO C#CCC[N@@H+](CCNC(=O)c1[nH]nc(C)c1C)CCOC ZINC001279040748 904043362 /nfs/dbraw/zinc/04/33/62/904043362.db2.gz KTGBMQVLDNAOTB-UHFFFAOYSA-N 1 2 292.383 0.728 20 30 CCEDLO C#CCC[N@H+](CCNC(=O)c1[nH]nc(C)c1C)CCOC ZINC001279040748 904043373 /nfs/dbraw/zinc/04/33/73/904043373.db2.gz KTGBMQVLDNAOTB-UHFFFAOYSA-N 1 2 292.383 0.728 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001316602400 904115818 /nfs/dbraw/zinc/11/58/18/904115818.db2.gz IAOXICNWLNWAPV-KGLIPLIRSA-N 1 2 276.380 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001316602400 904115826 /nfs/dbraw/zinc/11/58/26/904115826.db2.gz IAOXICNWLNWAPV-KGLIPLIRSA-N 1 2 276.380 0.969 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280944482 904179873 /nfs/dbraw/zinc/17/98/73/904179873.db2.gz KQOPQWVBQPKAGT-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCCC(N)=O)cc2C1 ZINC001281305009 904259235 /nfs/dbraw/zinc/25/92/35/904259235.db2.gz PHGYAAAFJVNKBJ-UHFFFAOYSA-N 1 2 299.374 0.907 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCCC(N)=O)cc2C1 ZINC001281305009 904259248 /nfs/dbraw/zinc/25/92/48/904259248.db2.gz PHGYAAAFJVNKBJ-UHFFFAOYSA-N 1 2 299.374 0.907 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C)CC#N ZINC001282403548 904471192 /nfs/dbraw/zinc/47/11/92/904471192.db2.gz VZRMQVUAHXEFQL-HBNTYKKESA-N 1 2 261.329 0.473 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C)CC#N ZINC001282403548 904471200 /nfs/dbraw/zinc/47/12/00/904471200.db2.gz VZRMQVUAHXEFQL-HBNTYKKESA-N 1 2 261.329 0.473 20 30 CCEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)CC)C1 ZINC001282742499 904536072 /nfs/dbraw/zinc/53/60/72/904536072.db2.gz ZSVSIBYYZFCXGI-NSHDSACASA-N 1 2 288.413 0.434 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001282744572 904537663 /nfs/dbraw/zinc/53/76/63/904537663.db2.gz KMMIRZNKASJEIE-NSHDSACASA-N 1 2 260.341 0.261 20 30 CCEDLO CC(C)C#CC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001282866126 904558659 /nfs/dbraw/zinc/55/86/59/904558659.db2.gz UBNMFMGUNHAYJH-UHFFFAOYSA-N 1 2 288.351 0.282 20 30 CCEDLO C=CCCC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001284529233 905362580 /nfs/dbraw/zinc/36/25/80/905362580.db2.gz FHHMKMLMHOLLFA-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO C=CCCC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001284529233 905362599 /nfs/dbraw/zinc/36/25/99/905362599.db2.gz FHHMKMLMHOLLFA-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001284910151 905483674 /nfs/dbraw/zinc/48/36/74/905483674.db2.gz LSUQAAYKNAKMCF-LLVKDONJSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001284910151 905483682 /nfs/dbraw/zinc/48/36/82/905483682.db2.gz LSUQAAYKNAKMCF-LLVKDONJSA-N 1 2 290.367 0.882 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2C[C@@H]2C)CC1 ZINC001286473581 905880339 /nfs/dbraw/zinc/88/03/39/905880339.db2.gz UFJHJHKXFHXRTP-AAEUAGOBSA-N 1 2 259.357 0.923 20 30 CCEDLO C=CCCCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001295672521 906784556 /nfs/dbraw/zinc/78/45/56/906784556.db2.gz BVIPDPKVASBMNX-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO COc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)on1 ZINC001381506167 907258406 /nfs/dbraw/zinc/25/84/06/907258406.db2.gz DEJWHTCPZCIDGL-VHSXEESVSA-N 1 2 280.328 0.779 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C#N)on1 ZINC001381506167 907258423 /nfs/dbraw/zinc/25/84/23/907258423.db2.gz DEJWHTCPZCIDGL-VHSXEESVSA-N 1 2 280.328 0.779 20 30 CCEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1nncn1C ZINC001337953877 921322728 /nfs/dbraw/zinc/32/27/28/921322728.db2.gz RLGZYSNXAZEIRD-ZJUUUORDSA-N 1 2 264.333 0.226 20 30 CCEDLO C[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001492394592 907900336 /nfs/dbraw/zinc/90/03/36/907900336.db2.gz QJSUCQYMKIJZEK-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001492394592 907900355 /nfs/dbraw/zinc/90/03/55/907900355.db2.gz QJSUCQYMKIJZEK-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNCC#N)C1 ZINC001317338535 908160937 /nfs/dbraw/zinc/16/09/37/908160937.db2.gz PBJWIWQZPZBFRF-YNEHKIRRSA-N 1 2 287.367 0.485 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](F)C(C)C ZINC001317456779 908250779 /nfs/dbraw/zinc/25/07/79/908250779.db2.gz OBUMPWOUZKEVKE-LBPRGKRZSA-N 1 2 273.352 0.331 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](F)C(C)C ZINC001317456779 908250796 /nfs/dbraw/zinc/25/07/96/908250796.db2.gz OBUMPWOUZKEVKE-LBPRGKRZSA-N 1 2 273.352 0.331 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001385611464 908468434 /nfs/dbraw/zinc/46/84/34/908468434.db2.gz JUSYNJLHVINBKO-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1C ZINC001316781842 908775260 /nfs/dbraw/zinc/77/52/60/908775260.db2.gz ZNEOBARRSFITFE-OCCSQVGLSA-N 1 2 289.383 0.698 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1C ZINC001316781842 908775263 /nfs/dbraw/zinc/77/52/63/908775263.db2.gz ZNEOBARRSFITFE-OCCSQVGLSA-N 1 2 289.383 0.698 20 30 CCEDLO Cc1nonc1C[N@H+](C)CCCNC(=O)C#CC1CC1 ZINC001316823861 908793057 /nfs/dbraw/zinc/79/30/57/908793057.db2.gz QZURNMVLXLBEGA-UHFFFAOYSA-N 1 2 276.340 0.730 20 30 CCEDLO Cc1nonc1C[N@@H+](C)CCCNC(=O)C#CC1CC1 ZINC001316823861 908793066 /nfs/dbraw/zinc/79/30/66/908793066.db2.gz QZURNMVLXLBEGA-UHFFFAOYSA-N 1 2 276.340 0.730 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001316964272 908875456 /nfs/dbraw/zinc/87/54/56/908875456.db2.gz WBOHHKRYWOTGAC-CQSZACIVSA-N 1 2 287.379 0.017 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001316990815 908905969 /nfs/dbraw/zinc/90/59/69/908905969.db2.gz JUUHBOWUDXLALC-JTQLQIEISA-N 1 2 297.742 0.782 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001316990815 908905976 /nfs/dbraw/zinc/90/59/76/908905976.db2.gz JUUHBOWUDXLALC-JTQLQIEISA-N 1 2 297.742 0.782 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3coc(C#N)c3)n2C)CC1 ZINC001338409703 921455074 /nfs/dbraw/zinc/45/50/74/921455074.db2.gz FGRAPQKMVHIQFY-UHFFFAOYSA-N 1 2 296.334 0.702 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C1CC1 ZINC001317457497 909229454 /nfs/dbraw/zinc/22/94/54/909229454.db2.gz UUMXGPKYXSMMJY-UHFFFAOYSA-N 1 2 279.384 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C1CC1 ZINC001317457497 909229468 /nfs/dbraw/zinc/22/94/68/909229468.db2.gz UUMXGPKYXSMMJY-UHFFFAOYSA-N 1 2 279.384 0.220 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001317556324 909331774 /nfs/dbraw/zinc/33/17/74/909331774.db2.gz CHGZLQUBFUCRMQ-AWEZNQCLSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001317556324 909331791 /nfs/dbraw/zinc/33/17/91/909331791.db2.gz CHGZLQUBFUCRMQ-AWEZNQCLSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2[nH]ccc2C)C1 ZINC001318018377 909581467 /nfs/dbraw/zinc/58/14/67/909581467.db2.gz NYUGDMDGOVGIAQ-UHFFFAOYSA-N 1 2 263.341 0.940 20 30 CCEDLO C#CCCOc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001318024180 909586596 /nfs/dbraw/zinc/58/65/96/909586596.db2.gz GQUMIYRZHKIGBI-UHFFFAOYSA-N 1 2 288.347 0.495 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001318049106 909596373 /nfs/dbraw/zinc/59/63/73/909596373.db2.gz XJPGCDHEEGBYFR-ZDUSSCGKSA-N 1 2 278.356 0.484 20 30 CCEDLO C=CCC1(C(=O)NC2C[NH+](C[C@@H](C)O)C2)CCOCC1 ZINC001318081861 909614010 /nfs/dbraw/zinc/61/40/10/909614010.db2.gz PWMHBURWQNIDEZ-GFCCVEGCSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001318101399 909618697 /nfs/dbraw/zinc/61/86/97/909618697.db2.gz NJJHFCDCCWHCFR-CQSZACIVSA-N 1 2 291.395 0.693 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001318107661 909624226 /nfs/dbraw/zinc/62/42/26/909624226.db2.gz OVZLJOTVQCCZNI-JTQLQIEISA-N 1 2 292.339 0.027 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2conc2C)C1 ZINC001318273147 909687469 /nfs/dbraw/zinc/68/74/69/909687469.db2.gz MLAAWMDMAIVEAI-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2conc2C)C1 ZINC001318273147 909687488 /nfs/dbraw/zinc/68/74/88/909687488.db2.gz MLAAWMDMAIVEAI-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001318360151 909722984 /nfs/dbraw/zinc/72/29/84/909722984.db2.gz HZUROQDWAQNTNV-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001318360151 909722988 /nfs/dbraw/zinc/72/29/88/909722988.db2.gz HZUROQDWAQNTNV-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(CNCC#N)C1CC1 ZINC001318730233 909873162 /nfs/dbraw/zinc/87/31/62/909873162.db2.gz NAFPTDNVWGEKPN-CQSZACIVSA-N 1 2 275.356 0.659 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001319298617 910080502 /nfs/dbraw/zinc/08/05/02/910080502.db2.gz WKNKFHLVMAFQRP-UONOGXRCSA-N 1 2 298.383 0.043 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001319298617 910080512 /nfs/dbraw/zinc/08/05/12/910080512.db2.gz WKNKFHLVMAFQRP-UONOGXRCSA-N 1 2 298.383 0.043 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001390752635 910653211 /nfs/dbraw/zinc/65/32/11/910653211.db2.gz ZDPJMEAXRRKTHY-UHFFFAOYSA-N 1 2 271.752 0.416 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1N ZINC001390752635 910653215 /nfs/dbraw/zinc/65/32/15/910653215.db2.gz ZDPJMEAXRRKTHY-UHFFFAOYSA-N 1 2 271.752 0.416 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)CCc1cnn[nH]1 ZINC001321250330 911192005 /nfs/dbraw/zinc/19/20/05/911192005.db2.gz FTKCLQHUKBLPIJ-NSCUHMNNSA-N 1 2 283.763 0.752 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC001322300857 911751621 /nfs/dbraw/zinc/75/16/21/911751621.db2.gz PSTBFVUHNXGBJF-CHWSQXEVSA-N 1 2 275.356 0.796 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001323176374 912155618 /nfs/dbraw/zinc/15/56/18/912155618.db2.gz CUWJTGQIVGAZPM-QWHCGFSZSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001323176374 912155627 /nfs/dbraw/zinc/15/56/27/912155627.db2.gz CUWJTGQIVGAZPM-QWHCGFSZSA-N 1 2 279.384 0.834 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001323198872 912176470 /nfs/dbraw/zinc/17/64/70/912176470.db2.gz LNEDMHRVNSZFAO-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001323198872 912176486 /nfs/dbraw/zinc/17/64/86/912176486.db2.gz LNEDMHRVNSZFAO-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001328457780 915210952 /nfs/dbraw/zinc/21/09/52/915210952.db2.gz VVCUFFOKSIGGFL-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001328554635 915269134 /nfs/dbraw/zinc/26/91/34/915269134.db2.gz GLWDYYGKVZWJRN-GFCCVEGCSA-N 1 2 290.367 0.771 20 30 CCEDLO COc1cc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)on1 ZINC001400481612 915769889 /nfs/dbraw/zinc/76/98/89/915769889.db2.gz ZMAJSUWPVLOHJY-VIFPVBQESA-N 1 2 278.312 0.391 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@]34CCOC4)cnc12 ZINC001329508012 915972224 /nfs/dbraw/zinc/97/22/24/915972224.db2.gz VHNAWCMBUVHBLE-AWEZNQCLSA-N 1 2 269.308 0.966 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@]34CCOC4)cnc12 ZINC001329508012 915972238 /nfs/dbraw/zinc/97/22/38/915972238.db2.gz VHNAWCMBUVHBLE-AWEZNQCLSA-N 1 2 269.308 0.966 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@]34CCOC4)cnc12 ZINC001329508013 915974565 /nfs/dbraw/zinc/97/45/65/915974565.db2.gz VHNAWCMBUVHBLE-CQSZACIVSA-N 1 2 269.308 0.966 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@]34CCOC4)cnc12 ZINC001329508013 915974573 /nfs/dbraw/zinc/97/45/73/915974573.db2.gz VHNAWCMBUVHBLE-CQSZACIVSA-N 1 2 269.308 0.966 20 30 CCEDLO CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)NCC#N ZINC001329764565 916176400 /nfs/dbraw/zinc/17/64/00/916176400.db2.gz HZXJOXNEFMMFBH-CYBMUJFWSA-N 1 2 277.372 0.869 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)OCC)C1 ZINC001329968930 916321822 /nfs/dbraw/zinc/32/18/22/916321822.db2.gz KVTSMSFNMJYPOR-VXGBXAGGSA-N 1 2 297.399 0.150 20 30 CCEDLO C[C@H](CC#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001330232056 916497843 /nfs/dbraw/zinc/49/78/43/916497843.db2.gz ICIZOTLCFKHXJO-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO C[C@H](CC#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001330232056 916497856 /nfs/dbraw/zinc/49/78/56/916497856.db2.gz ICIZOTLCFKHXJO-UTUOFQBUSA-N 1 2 252.314 0.943 20 30 CCEDLO CC(C)COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001402010743 916748997 /nfs/dbraw/zinc/74/89/97/916748997.db2.gz NNDWFSSNLUAFCX-TZMCWYRMSA-N 1 2 297.399 0.322 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC001330945838 916985470 /nfs/dbraw/zinc/98/54/70/916985470.db2.gz GCSKWNDWKDNPHX-CYBMUJFWSA-N 1 2 290.367 0.814 20 30 CCEDLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H](CNCC#N)C1CC1 ZINC001331355290 917281212 /nfs/dbraw/zinc/28/12/12/917281212.db2.gz NQAYJTFJGOSSKE-AWEZNQCLSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001331911899 917707963 /nfs/dbraw/zinc/70/79/63/917707963.db2.gz SCLYFSRBMDPALP-GFCCVEGCSA-N 1 2 261.325 0.821 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001403783298 918008161 /nfs/dbraw/zinc/00/81/61/918008161.db2.gz BWDRXDLCJTXJHK-GFCCVEGCSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001403783298 918008174 /nfs/dbraw/zinc/00/81/74/918008174.db2.gz BWDRXDLCJTXJHK-GFCCVEGCSA-N 1 2 287.791 0.798 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001403922648 918100151 /nfs/dbraw/zinc/10/01/51/918100151.db2.gz DCXIVAXISYCHPN-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001403922648 918100169 /nfs/dbraw/zinc/10/01/69/918100169.db2.gz DCXIVAXISYCHPN-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO CC(C)CC(=O)N(CC[N@H+](C)CC(=O)NCC#N)C(C)C ZINC001332689512 918383127 /nfs/dbraw/zinc/38/31/27/918383127.db2.gz UFALQZYDIXZCIM-UHFFFAOYSA-N 1 2 296.415 0.841 20 30 CCEDLO CC(C)CC(=O)N(CC[N@@H+](C)CC(=O)NCC#N)C(C)C ZINC001332689512 918383142 /nfs/dbraw/zinc/38/31/42/918383142.db2.gz UFALQZYDIXZCIM-UHFFFAOYSA-N 1 2 296.415 0.841 20 30 CCEDLO C=C(CC[NH+](C)C)C(=O)NCc1nnc(COC)[nH]1 ZINC001333411100 918879345 /nfs/dbraw/zinc/87/93/45/918879345.db2.gz XBVJGFDQMJYUBM-UHFFFAOYSA-N 1 2 267.333 0.075 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001406588176 919372010 /nfs/dbraw/zinc/37/20/10/919372010.db2.gz NMVFVLNXJZMSHJ-SECBINFHSA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001406588176 919372022 /nfs/dbraw/zinc/37/20/22/919372022.db2.gz NMVFVLNXJZMSHJ-SECBINFHSA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001407321577 919700051 /nfs/dbraw/zinc/70/00/51/919700051.db2.gz JKSSEKOWIPOGIE-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001407321577 919700055 /nfs/dbraw/zinc/70/00/55/919700055.db2.gz JKSSEKOWIPOGIE-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC001335137360 919977667 /nfs/dbraw/zinc/97/76/67/919977667.db2.gz ZAXJUXSOYBTESG-MFKMUULPSA-N 1 2 276.365 0.961 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001408497905 920204881 /nfs/dbraw/zinc/20/48/81/920204881.db2.gz HDYYYXVIMDMDHD-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC001336460760 920784739 /nfs/dbraw/zinc/78/47/39/920784739.db2.gz AXLVHUNMKCVTSD-UHFFFAOYSA-N 1 2 285.347 0.771 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC001418448112 922122953 /nfs/dbraw/zinc/12/29/53/922122953.db2.gz KGAMJIDHASZXJU-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC001418448112 922122963 /nfs/dbraw/zinc/12/29/63/922122963.db2.gz KGAMJIDHASZXJU-OLZOCXBDSA-N 1 2 294.399 0.453 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340573106 922125980 /nfs/dbraw/zinc/12/59/80/922125980.db2.gz VQSUVTVFXLUJFS-GWCFXTLKSA-N 1 2 281.360 0.373 20 30 CCEDLO C=CCn1c(N(C)OC)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340573106 922125986 /nfs/dbraw/zinc/12/59/86/922125986.db2.gz VQSUVTVFXLUJFS-GWCFXTLKSA-N 1 2 281.360 0.373 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1snnc1C ZINC001418539006 922238476 /nfs/dbraw/zinc/23/84/76/922238476.db2.gz HHRVWQKOBJEKMX-SECBINFHSA-N 1 2 281.385 0.944 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1snnc1C ZINC001418539006 922238482 /nfs/dbraw/zinc/23/84/82/922238482.db2.gz HHRVWQKOBJEKMX-SECBINFHSA-N 1 2 281.385 0.944 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001419134871 922653411 /nfs/dbraw/zinc/65/34/11/922653411.db2.gz LEPRWSFSXRZYNV-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001419134871 922653428 /nfs/dbraw/zinc/65/34/28/922653428.db2.gz LEPRWSFSXRZYNV-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)o1 ZINC001419658543 922977897 /nfs/dbraw/zinc/97/78/97/922977897.db2.gz XTMQEWUMTRFVRY-NXEZZACHSA-N 1 2 279.344 0.728 20 30 CCEDLO CC(C)c1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001419721993 923038611 /nfs/dbraw/zinc/03/86/11/923038611.db2.gz RKJIRNBSNAFOAK-ZJUUUORDSA-N 1 2 279.344 0.947 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001420558729 923781244 /nfs/dbraw/zinc/78/12/44/923781244.db2.gz IHSKXLIQYYCUDL-QWRGUYRKSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001420558729 923781258 /nfs/dbraw/zinc/78/12/58/923781258.db2.gz IHSKXLIQYYCUDL-QWRGUYRKSA-N 1 2 276.764 0.591 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nncn1C ZINC001420577203 923793808 /nfs/dbraw/zinc/79/38/08/923793808.db2.gz ICLIDQZQLNOLMD-NWDGAFQWSA-N 1 2 292.387 0.864 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nncn1C ZINC001420577203 923793815 /nfs/dbraw/zinc/79/38/15/923793815.db2.gz ICLIDQZQLNOLMD-NWDGAFQWSA-N 1 2 292.387 0.864 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001346575936 924267663 /nfs/dbraw/zinc/26/76/63/924267663.db2.gz AZAGCMAJOZHSLS-GFCCVEGCSA-N 1 2 276.340 0.697 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001347114471 924374623 /nfs/dbraw/zinc/37/46/23/924374623.db2.gz SYRGJSPFUVMFNI-LLVKDONJSA-N 1 2 262.313 0.692 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001347114471 924374634 /nfs/dbraw/zinc/37/46/34/924374634.db2.gz SYRGJSPFUVMFNI-LLVKDONJSA-N 1 2 262.313 0.692 20 30 CCEDLO CON=CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001347210964 924399380 /nfs/dbraw/zinc/39/93/80/924399380.db2.gz ITFMKKQEXAJKGI-LLVKDONJSA-N 1 2 264.329 0.833 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001348360753 924665868 /nfs/dbraw/zinc/66/58/68/924665868.db2.gz PHNBSUQSQAAQHZ-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001348360753 924665873 /nfs/dbraw/zinc/66/58/73/924665873.db2.gz PHNBSUQSQAAQHZ-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001349469146 924967120 /nfs/dbraw/zinc/96/71/20/924967120.db2.gz ZSXMNFYPSIRNAK-GXTWGEPZSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001349469146 924967127 /nfs/dbraw/zinc/96/71/27/924967127.db2.gz ZSXMNFYPSIRNAK-GXTWGEPZSA-N 1 2 278.400 0.428 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349468784 924967598 /nfs/dbraw/zinc/96/75/98/924967598.db2.gz WPUQACIZPBZNPW-AVGNSLFASA-N 1 2 266.389 0.284 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001349468784 924967603 /nfs/dbraw/zinc/96/76/03/924967603.db2.gz WPUQACIZPBZNPW-AVGNSLFASA-N 1 2 266.389 0.284 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349878716 925083771 /nfs/dbraw/zinc/08/37/71/925083771.db2.gz FQFKCRFKAPKGLI-STQMWFEESA-N 1 2 268.405 0.886 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001351197703 925383208 /nfs/dbraw/zinc/38/32/08/925383208.db2.gz HSBDEUBTZPLMPQ-LBPRGKRZSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(CC(C)C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001351197703 925383221 /nfs/dbraw/zinc/38/32/21/925383221.db2.gz HSBDEUBTZPLMPQ-LBPRGKRZSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(CC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001352465836 925581946 /nfs/dbraw/zinc/58/19/46/925581946.db2.gz PNISOJNGCRJALC-OAHLLOKOSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(CC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001352465836 925581953 /nfs/dbraw/zinc/58/19/53/925581953.db2.gz PNISOJNGCRJALC-OAHLLOKOSA-N 1 2 282.384 0.685 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001352901603 925668793 /nfs/dbraw/zinc/66/87/93/925668793.db2.gz LHHKLIOVAPEYSV-RYUDHWBXSA-N 1 2 277.372 0.495 20 30 CCEDLO C#CCN(CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001352901603 925668800 /nfs/dbraw/zinc/66/88/00/925668800.db2.gz LHHKLIOVAPEYSV-RYUDHWBXSA-N 1 2 277.372 0.495 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nncn2C)nn1 ZINC001352995923 925694534 /nfs/dbraw/zinc/69/45/34/925694534.db2.gz CHPPYBQOCXQZDG-JTQLQIEISA-N 1 2 259.317 0.129 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001353617104 925885126 /nfs/dbraw/zinc/88/51/26/925885126.db2.gz NKIHYHVWKOCMQM-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001353617104 925885131 /nfs/dbraw/zinc/88/51/31/925885131.db2.gz NKIHYHVWKOCMQM-UHFFFAOYSA-N 1 2 270.398 0.580 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001421303530 926664475 /nfs/dbraw/zinc/66/44/75/926664475.db2.gz GIRHBGHHZUJOPZ-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001421303530 926664481 /nfs/dbraw/zinc/66/44/81/926664481.db2.gz GIRHBGHHZUJOPZ-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCn1nncc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001422780980 927505360 /nfs/dbraw/zinc/50/53/60/927505360.db2.gz KHLJHHHTBJRLBN-WDEREUQCSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001422780980 927505366 /nfs/dbraw/zinc/50/53/66/927505366.db2.gz KHLJHHHTBJRLBN-WDEREUQCSA-N 1 2 278.360 0.394 20 30 CCEDLO Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N)nn1C ZINC001422782239 927507171 /nfs/dbraw/zinc/50/71/71/927507171.db2.gz NTNFAQLBKRAELE-QWRGUYRKSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N)nn1C ZINC001422782239 927507178 /nfs/dbraw/zinc/50/71/78/927507178.db2.gz NTNFAQLBKRAELE-QWRGUYRKSA-N 1 2 277.372 0.825 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)n1 ZINC001424062827 928082639 /nfs/dbraw/zinc/08/26/39/928082639.db2.gz GFNCILVIISBTMM-UWVGGRQHSA-N 1 2 295.343 0.009 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)C#N)C[C@H]1C ZINC001362742701 928433446 /nfs/dbraw/zinc/43/34/46/928433446.db2.gz RHNGJAAZRBKGCU-LLVKDONJSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)C#N)C[C@H]1C ZINC001362742701 928433453 /nfs/dbraw/zinc/43/34/53/928433453.db2.gz RHNGJAAZRBKGCU-LLVKDONJSA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001427980137 929152973 /nfs/dbraw/zinc/15/29/73/929152973.db2.gz DKCNNRADWZLRQR-KOLCDFICSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001427980148 929153787 /nfs/dbraw/zinc/15/37/87/929153787.db2.gz DKCNNRADWZLRQR-ONGXEEELSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)CNC(C)=O ZINC001372156529 929747599 /nfs/dbraw/zinc/74/75/99/929747599.db2.gz RTKYHFYSKPPWGV-UHFFFAOYSA-N 1 2 289.807 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)CNC(C)=O ZINC001372156529 929747612 /nfs/dbraw/zinc/74/76/12/929747612.db2.gz RTKYHFYSKPPWGV-UHFFFAOYSA-N 1 2 289.807 0.949 20 30 CCEDLO CCn1cc(CC[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)cn1 ZINC001374056359 930412043 /nfs/dbraw/zinc/41/20/43/930412043.db2.gz XJPBAFQKIQELJP-ZDUSSCGKSA-N 1 2 289.383 0.749 20 30 CCEDLO N#Cc1cc(C(=O)N[C@]2(CO)CCC[N@H+](CCF)C2)c[nH]1 ZINC001447015553 930544386 /nfs/dbraw/zinc/54/43/86/930544386.db2.gz NHIPPXMSAKECML-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1cc(C(=O)N[C@]2(CO)CCC[N@@H+](CCF)C2)c[nH]1 ZINC001447015553 930544392 /nfs/dbraw/zinc/54/43/92/930544392.db2.gz NHIPPXMSAKECML-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374749637 930646483 /nfs/dbraw/zinc/64/64/83/930646483.db2.gz IREIYVAOAXRCMR-SECBINFHSA-N 1 2 289.339 0.174 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001376143259 931066574 /nfs/dbraw/zinc/06/65/74/931066574.db2.gz ZRROKLZWAGENTH-WPRPVWTQSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001376143259 931066581 /nfs/dbraw/zinc/06/65/81/931066581.db2.gz ZRROKLZWAGENTH-WPRPVWTQSA-N 1 2 273.764 0.441 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001449560055 931158101 /nfs/dbraw/zinc/15/81/01/931158101.db2.gz OSHIUQZQYLFKDK-WHXUTIOJSA-N 1 2 289.339 0.123 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])ccc1C#N ZINC001599407335 997338394 /nfs/dbraw/zinc/33/83/94/997338394.db2.gz JXNARGZRNOUGSN-CYBMUJFWSA-N 1 2 289.335 0.815 20 30 CCEDLO COc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])ccc1C#N ZINC001599407335 997338431 /nfs/dbraw/zinc/33/84/31/997338431.db2.gz JXNARGZRNOUGSN-CYBMUJFWSA-N 1 2 289.335 0.815 20 30 CCEDLO COC(=O)[C@@](C)([NH2+]CCC(=O)N(C)CCC#N)C1CC1 ZINC000092808658 349506490 /nfs/dbraw/zinc/50/64/90/349506490.db2.gz GDQHEEASRUKVTH-AWEZNQCLSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599580145 361751255 /nfs/dbraw/zinc/75/12/55/361751255.db2.gz HHKGYONLZIGLSW-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599580145 361751256 /nfs/dbraw/zinc/75/12/56/361751256.db2.gz HHKGYONLZIGLSW-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599663966 361777659 /nfs/dbraw/zinc/77/76/59/361777659.db2.gz JKWRSONDQBPERX-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599663966 361777665 /nfs/dbraw/zinc/77/76/65/361777665.db2.gz JKWRSONDQBPERX-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO C=CCOC[C@@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000600152939 361877362 /nfs/dbraw/zinc/87/73/62/361877362.db2.gz HELDGZGODJGDJV-SNVBAGLBSA-N 1 2 253.302 0.552 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000600423008 361958210 /nfs/dbraw/zinc/95/82/10/361958210.db2.gz YZSUGVMVNYFERX-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000600423008 361958213 /nfs/dbraw/zinc/95/82/13/361958213.db2.gz YZSUGVMVNYFERX-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cn1 ZINC000101569063 349664412 /nfs/dbraw/zinc/66/44/12/349664412.db2.gz KLHFCCHRDZAIOZ-UHFFFAOYSA-N 1 2 277.309 0.128 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cn1 ZINC000104215081 349712838 /nfs/dbraw/zinc/71/28/38/349712838.db2.gz JAPOMJZJCLXYOL-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC000793494016 581301264 /nfs/dbraw/zinc/30/12/64/581301264.db2.gz RKKHHMKCNATPCZ-CHWSQXEVSA-N 1 2 252.358 0.825 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000116890003 349875939 /nfs/dbraw/zinc/87/59/39/349875939.db2.gz XNWYQUZJUULTGA-CYBMUJFWSA-N 1 2 279.365 0.682 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000116890003 349875942 /nfs/dbraw/zinc/87/59/42/349875942.db2.gz XNWYQUZJUULTGA-CYBMUJFWSA-N 1 2 279.365 0.682 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)CC1(C#N)CC1 ZINC000601471230 362284177 /nfs/dbraw/zinc/28/41/77/362284177.db2.gz VTXIWOFNDGPZSQ-UHFFFAOYSA-N 1 2 268.342 0.626 20 30 CCEDLO CCc1c[nH]c(CC(=O)N[C@@](C)(C#N)COC)[nH+]1 ZINC000602121060 362504275 /nfs/dbraw/zinc/50/42/75/362504275.db2.gz OMRBYXNLCGZYGL-LBPRGKRZSA-N 1 2 250.302 0.559 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602633613 362723977 /nfs/dbraw/zinc/72/39/77/362723977.db2.gz ZSXAUFVSEGYUNG-UHFFFAOYSA-N 1 2 254.290 0.963 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602633613 362723981 /nfs/dbraw/zinc/72/39/81/362723981.db2.gz ZSXAUFVSEGYUNG-UHFFFAOYSA-N 1 2 254.290 0.963 20 30 CCEDLO N#CCC(=O)N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602840063 362828999 /nfs/dbraw/zinc/82/89/99/362828999.db2.gz ICWYTIZSFPOXGX-ZDUSSCGKSA-N 1 2 290.367 0.198 20 30 CCEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602861636 362846455 /nfs/dbraw/zinc/84/64/55/362846455.db2.gz GTTQZORUTKRHMC-VXGBXAGGSA-N 1 2 281.356 0.822 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCN1CCCCCC1=O ZINC000602859879 362844931 /nfs/dbraw/zinc/84/49/31/362844931.db2.gz BEXZJRSEPUAKOO-ZDUSSCGKSA-N 1 2 294.399 0.787 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900908 137086053 /nfs/dbraw/zinc/08/60/53/137086053.db2.gz GEERTXSEUAXQJT-AAEUAGOBSA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000340900908 137086054 /nfs/dbraw/zinc/08/60/54/137086054.db2.gz GEERTXSEUAXQJT-AAEUAGOBSA-N 1 2 294.376 0.787 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000007923893 348009374 /nfs/dbraw/zinc/00/93/74/348009374.db2.gz ZLVQBPPREZXVTH-DOMZBBRYSA-N 1 2 296.415 0.886 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000007923893 348009376 /nfs/dbraw/zinc/00/93/76/348009376.db2.gz ZLVQBPPREZXVTH-DOMZBBRYSA-N 1 2 296.415 0.886 20 30 CCEDLO CO[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000602895790 362871016 /nfs/dbraw/zinc/87/10/16/362871016.db2.gz FCJCOXLWLXIKTA-DZGCQCFKSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000602895790 362871022 /nfs/dbraw/zinc/87/10/22/362871022.db2.gz FCJCOXLWLXIKTA-DZGCQCFKSA-N 1 2 292.335 0.603 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000044756714 348325482 /nfs/dbraw/zinc/32/54/82/348325482.db2.gz FJTKSHCYJUQJOW-UHFFFAOYSA-N 1 2 282.347 0.605 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975156 362918787 /nfs/dbraw/zinc/91/87/87/362918787.db2.gz YSVSSJXMTQTGKU-MNOVXSKESA-N 1 2 266.345 0.846 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975156 362918791 /nfs/dbraw/zinc/91/87/91/362918791.db2.gz YSVSSJXMTQTGKU-MNOVXSKESA-N 1 2 266.345 0.846 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047890164 348391281 /nfs/dbraw/zinc/39/12/81/348391281.db2.gz XZVOOURBLRUVJF-LBPRGKRZSA-N 1 2 292.408 0.711 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2nccc(C)c2C#N)CC1 ZINC000273416961 192142722 /nfs/dbraw/zinc/14/27/22/192142722.db2.gz YJHPXKCUTOCJGT-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO CC(C)COC(=O)N1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000066497530 348745827 /nfs/dbraw/zinc/74/58/27/348745827.db2.gz NTFFMUXWKFVEEM-UHFFFAOYSA-N 1 2 296.371 0.426 20 30 CCEDLO CC(C)COC(=O)N1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC000066497530 348745830 /nfs/dbraw/zinc/74/58/30/348745830.db2.gz NTFFMUXWKFVEEM-UHFFFAOYSA-N 1 2 296.371 0.426 20 30 CCEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108682 348943330 /nfs/dbraw/zinc/94/33/30/348943330.db2.gz ISXHZEVHXCBFSR-GFCCVEGCSA-N 1 2 287.367 0.552 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603012800 362936972 /nfs/dbraw/zinc/93/69/72/362936972.db2.gz FETPGKXXIAHXIS-UHFFFAOYSA-N 1 2 276.315 0.587 20 30 CCEDLO COCC[N@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000134894695 350378781 /nfs/dbraw/zinc/37/87/81/350378781.db2.gz HNSYVLGLNODGCH-UHFFFAOYSA-N 1 2 283.353 0.499 20 30 CCEDLO COCC[N@@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000134894695 350378782 /nfs/dbraw/zinc/37/87/82/350378782.db2.gz HNSYVLGLNODGCH-UHFFFAOYSA-N 1 2 283.353 0.499 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H](C)N1CC#N ZINC000603100939 362963813 /nfs/dbraw/zinc/96/38/13/362963813.db2.gz XOCAQKVHYGXLQE-CHWSQXEVSA-N 1 2 289.383 0.797 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)C(N)=O ZINC000160032555 350694384 /nfs/dbraw/zinc/69/43/84/350694384.db2.gz LUULLMFYYSDFMT-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)C(N)=O ZINC000160032555 350694388 /nfs/dbraw/zinc/69/43/88/350694388.db2.gz LUULLMFYYSDFMT-LLVKDONJSA-N 1 2 291.351 0.889 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000162482602 350745346 /nfs/dbraw/zinc/74/53/46/350745346.db2.gz KGQUHIDQQCUZOO-UHFFFAOYSA-N 1 2 271.324 0.726 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000162482602 350745349 /nfs/dbraw/zinc/74/53/49/350745349.db2.gz KGQUHIDQQCUZOO-UHFFFAOYSA-N 1 2 271.324 0.726 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161591566 350725748 /nfs/dbraw/zinc/72/57/48/350725748.db2.gz YIYHZWIKRXBMNP-ZDUSSCGKSA-N 1 2 273.336 0.816 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000166229376 350796944 /nfs/dbraw/zinc/79/69/44/350796944.db2.gz GCMKJCFVCNXUAZ-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000166229376 350796947 /nfs/dbraw/zinc/79/69/47/350796947.db2.gz GCMKJCFVCNXUAZ-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)C[N@H+](CCCCC#N)CCN1CCOCC1 ZINC000171928074 350944628 /nfs/dbraw/zinc/94/46/28/350944628.db2.gz BZVTWADSXCLMJK-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO COC(=O)C[N@@H+](CCCCC#N)CCN1CCOCC1 ZINC000171928074 350944629 /nfs/dbraw/zinc/94/46/29/350944629.db2.gz BZVTWADSXCLMJK-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO COC(=O)CN(CCCCC#N)CC[NH+]1CCOCC1 ZINC000171928074 350944631 /nfs/dbraw/zinc/94/46/31/350944631.db2.gz BZVTWADSXCLMJK-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO N#Cc1ccccc1OCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603210342 363002094 /nfs/dbraw/zinc/00/20/94/363002094.db2.gz CYVMMHDXXQGUAW-AWEZNQCLSA-N 1 2 299.334 0.890 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603222673 363007524 /nfs/dbraw/zinc/00/75/24/363007524.db2.gz LFPYVABRPNWTEG-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603222673 363007528 /nfs/dbraw/zinc/00/75/28/363007528.db2.gz LFPYVABRPNWTEG-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO N#Cc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)nc1 ZINC000603223021 363008020 /nfs/dbraw/zinc/00/80/20/363008020.db2.gz NVEHSJXZGIEWAY-UHFFFAOYSA-N 1 2 298.350 0.468 20 30 CCEDLO N#CC1(Cn2cc(CC[NH+]3CCOCC3)nn2)CCC1 ZINC000603257767 363027683 /nfs/dbraw/zinc/02/76/83/363027683.db2.gz WNAMJBLKIPZQQA-UHFFFAOYSA-N 1 2 275.356 0.847 20 30 CCEDLO C=CCOCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000618524702 366036696 /nfs/dbraw/zinc/03/66/96/366036696.db2.gz NPHSWZONEOWDHF-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189464968 351681735 /nfs/dbraw/zinc/68/17/35/351681735.db2.gz YRGMVEZMXXJYBS-MRVPVSSYSA-N 1 2 254.252 0.534 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189464968 351681737 /nfs/dbraw/zinc/68/17/37/351681737.db2.gz YRGMVEZMXXJYBS-MRVPVSSYSA-N 1 2 254.252 0.534 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1F ZINC000122003025 187009902 /nfs/dbraw/zinc/00/99/02/187009902.db2.gz PRAYKKZQWVRTTQ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1F ZINC000122003025 187009903 /nfs/dbraw/zinc/00/99/03/187009903.db2.gz PRAYKKZQWVRTTQ-GFCCVEGCSA-N 1 2 274.299 0.907 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H](C(N)=O)O1 ZINC000122909244 187058818 /nfs/dbraw/zinc/05/88/18/187058818.db2.gz HACJEUGOXLKTKF-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](C(N)=O)O1 ZINC000122909244 187058819 /nfs/dbraw/zinc/05/88/19/187058819.db2.gz HACJEUGOXLKTKF-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000194612733 351876848 /nfs/dbraw/zinc/87/68/48/351876848.db2.gz BNFMAPKWLAIVLE-UHFFFAOYSA-N 1 2 273.336 0.962 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292091893 198159803 /nfs/dbraw/zinc/15/98/03/198159803.db2.gz FORHHQAJYIEYGJ-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292091893 198159804 /nfs/dbraw/zinc/15/98/04/198159804.db2.gz FORHHQAJYIEYGJ-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000267242327 352753099 /nfs/dbraw/zinc/75/30/99/352753099.db2.gz FHTPLIIYCVCVIX-OAHLLOKOSA-N 1 2 287.363 0.545 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000267242327 352753102 /nfs/dbraw/zinc/75/31/02/352753102.db2.gz FHTPLIIYCVCVIX-OAHLLOKOSA-N 1 2 287.363 0.545 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267649733 352780878 /nfs/dbraw/zinc/78/08/78/352780878.db2.gz KXSNOLLETGEYSH-JOYOIKCWSA-N 1 2 258.293 0.264 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267649733 352780879 /nfs/dbraw/zinc/78/08/79/352780879.db2.gz KXSNOLLETGEYSH-JOYOIKCWSA-N 1 2 258.293 0.264 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270478456 352937674 /nfs/dbraw/zinc/93/76/74/352937674.db2.gz MVJQFHDVRDPYDW-LBPRGKRZSA-N 1 2 295.339 0.593 20 30 CCEDLO C=CCOCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270478456 352937678 /nfs/dbraw/zinc/93/76/78/352937678.db2.gz MVJQFHDVRDPYDW-LBPRGKRZSA-N 1 2 295.339 0.593 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)OCC ZINC000271053552 353017735 /nfs/dbraw/zinc/01/77/35/353017735.db2.gz UFHDUZKRPCBTDW-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCCC[N@H+]1CCNC(=O)C1)OCC ZINC000271053552 353017739 /nfs/dbraw/zinc/01/77/39/353017739.db2.gz UFHDUZKRPCBTDW-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC#C)CC1 ZINC000277174917 353227861 /nfs/dbraw/zinc/22/78/61/353227861.db2.gz ARRSFAOGUSUOKD-UHFFFAOYSA-N 1 2 289.379 0.074 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)NCC#C)CC1 ZINC000277174917 353227863 /nfs/dbraw/zinc/22/78/63/353227863.db2.gz ARRSFAOGUSUOKD-UHFFFAOYSA-N 1 2 289.379 0.074 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)[nH]1 ZINC000157000969 188292323 /nfs/dbraw/zinc/29/23/23/188292323.db2.gz DARPKRQKUQIKGX-CYBMUJFWSA-N 1 2 288.351 0.823 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000282417020 353421769 /nfs/dbraw/zinc/42/17/69/353421769.db2.gz DNCYIICDGVMNCX-LBPRGKRZSA-N 1 2 267.354 0.516 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000282417020 353421773 /nfs/dbraw/zinc/42/17/73/353421773.db2.gz DNCYIICDGVMNCX-LBPRGKRZSA-N 1 2 267.354 0.516 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)ccn1 ZINC000287951909 353677811 /nfs/dbraw/zinc/67/78/11/353677811.db2.gz GPXUODWFKMXKBI-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000293027853 353786808 /nfs/dbraw/zinc/78/68/08/353786808.db2.gz GANCPMHCLSNSIA-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000293027853 353786811 /nfs/dbraw/zinc/78/68/11/353786811.db2.gz GANCPMHCLSNSIA-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO Cc1cc(C)c(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000299262620 354004170 /nfs/dbraw/zinc/00/41/70/354004170.db2.gz LQGAJOBTDIYDPL-CYBMUJFWSA-N 1 2 290.367 0.675 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000305991939 354170382 /nfs/dbraw/zinc/17/03/82/354170382.db2.gz JJLISNBJDLXZMS-OUAUKWLOSA-N 1 2 252.314 0.315 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000305991939 354170386 /nfs/dbraw/zinc/17/03/86/354170386.db2.gz JJLISNBJDLXZMS-OUAUKWLOSA-N 1 2 252.314 0.315 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCOC1 ZINC000329699827 354259269 /nfs/dbraw/zinc/25/92/69/354259269.db2.gz GHNAPTMYUZAKMF-HZSPNIEDSA-N 1 2 297.399 0.874 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1C ZINC000330256578 354312711 /nfs/dbraw/zinc/31/27/11/354312711.db2.gz QDHGHFPTIRKSKN-JTQLQIEISA-N 1 2 274.328 0.688 20 30 CCEDLO C[C@@H](CNC(=O)c1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000330465931 354370080 /nfs/dbraw/zinc/37/00/80/354370080.db2.gz WJFLPRNEXOPOSX-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1F ZINC000330582751 354425661 /nfs/dbraw/zinc/42/56/61/354425661.db2.gz RNFWYPSHSYNANS-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1F ZINC000330582751 354425662 /nfs/dbraw/zinc/42/56/62/354425662.db2.gz RNFWYPSHSYNANS-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@H]21 ZINC000332223659 283034229 /nfs/dbraw/zinc/03/42/29/283034229.db2.gz KBLSQEMIKDGINP-KGLIPLIRSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@H]21 ZINC000332223659 283034230 /nfs/dbraw/zinc/03/42/30/283034230.db2.gz KBLSQEMIKDGINP-KGLIPLIRSA-N 1 2 289.310 0.852 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000333906433 354813871 /nfs/dbraw/zinc/81/38/71/354813871.db2.gz VGBNDKHZYOTOMN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000333906433 354813872 /nfs/dbraw/zinc/81/38/72/354813872.db2.gz VGBNDKHZYOTOMN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)o1 ZINC000336816271 355190331 /nfs/dbraw/zinc/19/03/31/355190331.db2.gz LIBRFRRRKICTIJ-JTQLQIEISA-N 1 2 263.297 0.602 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)cc1 ZINC000336863553 355218575 /nfs/dbraw/zinc/21/85/75/355218575.db2.gz OOOPDEKDKTUHGF-CYBMUJFWSA-N 1 2 298.302 0.795 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)cc1 ZINC000336863553 355218579 /nfs/dbraw/zinc/21/85/79/355218579.db2.gz OOOPDEKDKTUHGF-CYBMUJFWSA-N 1 2 298.302 0.795 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCNC1=O ZINC000340226934 355531609 /nfs/dbraw/zinc/53/16/09/355531609.db2.gz ULWHWCIZDMSIFN-MFKMUULPSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340226934 355531615 /nfs/dbraw/zinc/53/16/15/355531615.db2.gz ULWHWCIZDMSIFN-MFKMUULPSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@@](O)(CNCc1nc(C#N)cs1)C[NH+]1CCOCC1 ZINC000352846161 356095303 /nfs/dbraw/zinc/09/53/03/356095303.db2.gz RYJUUWVQWHEMHF-CYBMUJFWSA-N 1 2 296.396 0.188 20 30 CCEDLO C[C@](O)(CNCc1nc(C#N)cs1)C[NH+]1CCOCC1 ZINC000352846162 356095470 /nfs/dbraw/zinc/09/54/70/356095470.db2.gz RYJUUWVQWHEMHF-ZDUSSCGKSA-N 1 2 296.396 0.188 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000273010023 192017165 /nfs/dbraw/zinc/01/71/65/192017165.db2.gz BAFHUBRCTCCTKD-SNVBAGLBSA-N 1 2 262.375 0.044 20 30 CCEDLO COCCN(CCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000619434679 366251239 /nfs/dbraw/zinc/25/12/39/366251239.db2.gz XVOMVLQEBSXQGY-UHFFFAOYSA-N 1 2 250.302 0.731 20 30 CCEDLO COCCN(CCC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000619434679 366251242 /nfs/dbraw/zinc/25/12/42/366251242.db2.gz XVOMVLQEBSXQGY-UHFFFAOYSA-N 1 2 250.302 0.731 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484893 363498533 /nfs/dbraw/zinc/49/85/33/363498533.db2.gz GRHZIAJMSMLGRD-CYBMUJFWSA-N 1 2 266.389 0.678 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486420 363499259 /nfs/dbraw/zinc/49/92/59/363499259.db2.gz KEGCGDXYSYJTCG-UONOGXRCSA-N 1 2 278.400 0.843 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000609705087 363514983 /nfs/dbraw/zinc/51/49/83/363514983.db2.gz PGCKUHPEBHBFHS-OLZOCXBDSA-N 1 2 264.373 0.383 20 30 CCEDLO C=C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)C(=O)OC ZINC000619704026 366327582 /nfs/dbraw/zinc/32/75/82/366327582.db2.gz SUVSSFXNUXEEIJ-GFCCVEGCSA-N 1 2 276.340 0.763 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000619722001 366341815 /nfs/dbraw/zinc/34/18/15/366341815.db2.gz LDZSFBJRFIUGFF-MMWGEVLESA-N 1 2 252.314 0.300 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000619722001 366341822 /nfs/dbraw/zinc/34/18/22/366341822.db2.gz LDZSFBJRFIUGFF-MMWGEVLESA-N 1 2 252.314 0.300 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000619717753 366336014 /nfs/dbraw/zinc/33/60/14/366336014.db2.gz HSUWMFJHXWXJRF-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000619717753 366336021 /nfs/dbraw/zinc/33/60/21/366336021.db2.gz HSUWMFJHXWXJRF-RYUDHWBXSA-N 1 2 266.341 0.801 20 30 CCEDLO CC#CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000361412002 357047261 /nfs/dbraw/zinc/04/72/61/357047261.db2.gz DOZYIRRLRPFLED-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)NCCCNc2cccc[nH+]2)n1 ZINC000610563027 363577482 /nfs/dbraw/zinc/57/74/82/363577482.db2.gz PCFKAVNXQDLVQQ-UHFFFAOYSA-N 1 2 299.338 0.732 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372734193 357379970 /nfs/dbraw/zinc/37/99/70/357379970.db2.gz CCAIQUKLKMUOOV-MNOVXSKESA-N 1 2 276.365 0.913 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC000490781091 358291584 /nfs/dbraw/zinc/29/15/84/358291584.db2.gz VXFUPISFMUKAON-UHFFFAOYSA-N 1 2 266.732 0.314 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000569490117 358769522 /nfs/dbraw/zinc/76/95/22/358769522.db2.gz ZLJGOBIWHFWJLW-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000573402118 358964509 /nfs/dbraw/zinc/96/45/09/358964509.db2.gz CCYHYHXFJOPIJK-JSGCOSHPSA-N 1 2 289.335 0.172 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000573402118 358964515 /nfs/dbraw/zinc/96/45/15/358964515.db2.gz CCYHYHXFJOPIJK-JSGCOSHPSA-N 1 2 289.335 0.172 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000571916199 358926511 /nfs/dbraw/zinc/92/65/11/358926511.db2.gz VUROVKYZULBBHO-WCQYABFASA-N 1 2 270.398 0.885 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000571916199 358926518 /nfs/dbraw/zinc/92/65/18/358926518.db2.gz VUROVKYZULBBHO-WCQYABFASA-N 1 2 270.398 0.885 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000572030114 358926564 /nfs/dbraw/zinc/92/65/64/358926564.db2.gz DWAKVMMZHRVUTO-QWRGUYRKSA-N 1 2 263.345 0.671 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000572030114 358926568 /nfs/dbraw/zinc/92/65/68/358926568.db2.gz DWAKVMMZHRVUTO-QWRGUYRKSA-N 1 2 263.345 0.671 20 30 CCEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000580024482 359076439 /nfs/dbraw/zinc/07/64/39/359076439.db2.gz KZPQGTHPRXCDOC-CYBMUJFWSA-N 1 2 292.383 0.444 20 30 CCEDLO Cc1nn(C)c(C)c1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584695635 359191382 /nfs/dbraw/zinc/19/13/82/359191382.db2.gz RNGPSKLGUQKJPF-CQSZACIVSA-N 1 2 293.371 0.376 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000588212807 359317951 /nfs/dbraw/zinc/31/79/51/359317951.db2.gz OVJLDUZEEDKJOU-NEPJUHHUSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000588212807 359317956 /nfs/dbraw/zinc/31/79/56/359317956.db2.gz OVJLDUZEEDKJOU-NEPJUHHUSA-N 1 2 266.341 0.658 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000587877922 359301360 /nfs/dbraw/zinc/30/13/60/359301360.db2.gz QRZBHHSQLQRCID-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(C#N)cc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000587877922 359301362 /nfs/dbraw/zinc/30/13/62/359301362.db2.gz QRZBHHSQLQRCID-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO N#CCCCCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000588661026 359328690 /nfs/dbraw/zinc/32/86/90/359328690.db2.gz OPMJYLLNNXLKCQ-UHFFFAOYSA-N 1 2 297.399 0.614 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000589392604 359379598 /nfs/dbraw/zinc/37/95/98/359379598.db2.gz WOMFGGNSKJQZAF-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CC1 ZINC000590154773 359426678 /nfs/dbraw/zinc/42/66/78/359426678.db2.gz XEGMGGVGDPICOK-NSHDSACASA-N 1 2 251.330 0.517 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOCC(F)F ZINC000589826910 359403153 /nfs/dbraw/zinc/40/31/53/359403153.db2.gz BLBOZSFSSGYWMC-LLVKDONJSA-N 1 2 263.288 0.618 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591230497 359572196 /nfs/dbraw/zinc/57/21/96/359572196.db2.gz ZXZMOAGNUJAMEI-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591230497 359572201 /nfs/dbraw/zinc/57/22/01/359572201.db2.gz ZXZMOAGNUJAMEI-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO N#Cc1cncc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000591913676 359691831 /nfs/dbraw/zinc/69/18/31/359691831.db2.gz RKXQVJUURSFGJO-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152434 359770873 /nfs/dbraw/zinc/77/08/73/359770873.db2.gz XTDBHTTVCDJEKE-GXSJLCMTSA-N 1 2 291.273 0.500 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152434 359770875 /nfs/dbraw/zinc/77/08/75/359770875.db2.gz XTDBHTTVCDJEKE-GXSJLCMTSA-N 1 2 291.273 0.500 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592146981 359765299 /nfs/dbraw/zinc/76/52/99/359765299.db2.gz HJTUOPCRJQEPEJ-HNNXBMFYSA-N 1 2 273.336 1.000 20 30 CCEDLO CN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592146981 359765302 /nfs/dbraw/zinc/76/53/02/359765302.db2.gz HJTUOPCRJQEPEJ-HNNXBMFYSA-N 1 2 273.336 1.000 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000592146551 359766208 /nfs/dbraw/zinc/76/62/08/359766208.db2.gz CWGSARICSYKORZ-CYBMUJFWSA-N 1 2 263.297 0.246 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000592146551 359766214 /nfs/dbraw/zinc/76/62/14/359766214.db2.gz CWGSARICSYKORZ-CYBMUJFWSA-N 1 2 263.297 0.246 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150917 359768622 /nfs/dbraw/zinc/76/86/22/359768622.db2.gz JRSVKUBYJBSWKY-OCCSQVGLSA-N 1 2 278.356 0.345 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150917 359768623 /nfs/dbraw/zinc/76/86/23/359768623.db2.gz JRSVKUBYJBSWKY-OCCSQVGLSA-N 1 2 278.356 0.345 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000592151019 359769177 /nfs/dbraw/zinc/76/91/77/359769177.db2.gz JDODZUZORLSWDI-ZFWWWQNUSA-N 1 2 284.319 0.435 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000592151019 359769185 /nfs/dbraw/zinc/76/91/85/359769185.db2.gz JDODZUZORLSWDI-ZFWWWQNUSA-N 1 2 284.319 0.435 20 30 CCEDLO COCC[N@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171201 363671466 /nfs/dbraw/zinc/67/14/66/363671466.db2.gz JTYDQJZUSJNWOS-GFCCVEGCSA-N 1 2 274.386 0.673 20 30 CCEDLO COCC[N@@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171201 363671469 /nfs/dbraw/zinc/67/14/69/363671469.db2.gz JTYDQJZUSJNWOS-GFCCVEGCSA-N 1 2 274.386 0.673 20 30 CCEDLO CCOC(=O)[C@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000611175499 363672433 /nfs/dbraw/zinc/67/24/33/363672433.db2.gz GRZUQQVBIDPLGU-LBPRGKRZSA-N 1 2 253.346 0.859 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947267 359992617 /nfs/dbraw/zinc/99/26/17/359992617.db2.gz AWENIUNQEGHRFL-ZWNOBZJWSA-N 1 2 262.288 0.910 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCC(F)(F)F ZINC000593155216 360048257 /nfs/dbraw/zinc/04/82/57/360048257.db2.gz BNSWACGDARPRRV-SECBINFHSA-N 1 2 267.251 0.525 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000593153625 360048625 /nfs/dbraw/zinc/04/86/25/360048625.db2.gz YHQPMXBMFZWZRK-ABAIWWIYSA-N 1 2 287.367 0.542 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C#N)n1 ZINC000593153101 360047658 /nfs/dbraw/zinc/04/76/58/360047658.db2.gz HZESMBZAFUWENQ-CYBMUJFWSA-N 1 2 257.297 0.527 20 30 CCEDLO N#CCCn1ccc(=NC(=O)Cc2cn3c([nH+]2)CCCC3)[nH]1 ZINC000593476229 360095481 /nfs/dbraw/zinc/09/54/81/360095481.db2.gz SPVQZJIZWBCUPT-UHFFFAOYSA-N 1 2 298.350 0.933 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]CC2(C#N)CCCC2)nn1 ZINC000593655141 360127033 /nfs/dbraw/zinc/12/70/33/360127033.db2.gz YWMOQZJDUDAFHG-UHFFFAOYSA-N 1 2 277.328 0.625 20 30 CCEDLO N#CCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000593997552 360231563 /nfs/dbraw/zinc/23/15/63/360231563.db2.gz LUZBEVARLQRZOW-LBPRGKRZSA-N 1 2 250.346 0.186 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@](O)(CC#N)C2)nn1 ZINC000594016484 360236108 /nfs/dbraw/zinc/23/61/08/360236108.db2.gz YKVFPAGILSUQQR-CYBMUJFWSA-N 1 2 261.329 0.705 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)nn1 ZINC000594016484 360236112 /nfs/dbraw/zinc/23/61/12/360236112.db2.gz YKVFPAGILSUQQR-CYBMUJFWSA-N 1 2 261.329 0.705 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000611385977 363712708 /nfs/dbraw/zinc/71/27/08/363712708.db2.gz CMQYWYSIYQWZLV-UHFFFAOYSA-N 1 2 287.327 0.616 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCC#N)CC1 ZINC000594228332 360261007 /nfs/dbraw/zinc/26/10/07/360261007.db2.gz GOFYDPVZVYGAQJ-UHFFFAOYSA-N 1 2 294.399 0.741 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCC#N)CC1 ZINC000594228332 360261013 /nfs/dbraw/zinc/26/10/13/360261013.db2.gz GOFYDPVZVYGAQJ-UHFFFAOYSA-N 1 2 294.399 0.741 20 30 CCEDLO CC[N@H+](CCN1C(=O)CN(C)C1=O)C[C@H](C)C#N ZINC000595299065 360487238 /nfs/dbraw/zinc/48/72/38/360487238.db2.gz WAZYZGWCNIIWTA-SNVBAGLBSA-N 1 2 252.318 0.362 20 30 CCEDLO CC[N@@H+](CCN1C(=O)CN(C)C1=O)C[C@H](C)C#N ZINC000595299065 360487242 /nfs/dbraw/zinc/48/72/42/360487242.db2.gz WAZYZGWCNIIWTA-SNVBAGLBSA-N 1 2 252.318 0.362 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000595397832 360519093 /nfs/dbraw/zinc/51/90/93/360519093.db2.gz LZTXMCWVYMVVPB-UONOGXRCSA-N 1 2 278.400 0.773 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1[N+](=O)[O-] ZINC000595556261 360579118 /nfs/dbraw/zinc/57/91/18/360579118.db2.gz BGIYLZVOIXJKQX-LLVKDONJSA-N 1 2 266.257 0.742 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@](O)(CC#N)C2)c1[N+](=O)[O-] ZINC000595556261 360579119 /nfs/dbraw/zinc/57/91/19/360579119.db2.gz BGIYLZVOIXJKQX-LLVKDONJSA-N 1 2 266.257 0.742 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595459203 360540619 /nfs/dbraw/zinc/54/06/19/360540619.db2.gz WQYLLFZBHJYRIQ-UONOGXRCSA-N 1 2 274.320 0.709 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595459203 360540622 /nfs/dbraw/zinc/54/06/22/360540622.db2.gz WQYLLFZBHJYRIQ-UONOGXRCSA-N 1 2 274.320 0.709 20 30 CCEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)C(=O)N(C)C ZINC000595611150 360596862 /nfs/dbraw/zinc/59/68/62/360596862.db2.gz HLQLKMCXBCEWJY-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)C(=O)N(C)C ZINC000595611150 360596867 /nfs/dbraw/zinc/59/68/67/360596867.db2.gz HLQLKMCXBCEWJY-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000595633473 360601956 /nfs/dbraw/zinc/60/19/56/360601956.db2.gz XVRHACOBUOUZGM-UHFFFAOYSA-N 1 2 290.392 0.974 20 30 CCEDLO CN1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CCC1=O ZINC000595784265 360655223 /nfs/dbraw/zinc/65/52/23/360655223.db2.gz SMESLOUYHAEOBA-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CN1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCC1=O ZINC000595784265 360655228 /nfs/dbraw/zinc/65/52/28/360655228.db2.gz SMESLOUYHAEOBA-UHFFFAOYSA-N 1 2 286.335 0.661 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833675 360670819 /nfs/dbraw/zinc/67/08/19/360670819.db2.gz ILOJDNCLFILBNH-BXKDBHETSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833675 360670825 /nfs/dbraw/zinc/67/08/25/360670825.db2.gz ILOJDNCLFILBNH-BXKDBHETSA-N 1 2 252.318 0.456 20 30 CCEDLO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841116 360676251 /nfs/dbraw/zinc/67/62/51/360676251.db2.gz IAYQFBZLPHPXFG-SKDRFNHKSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841116 360676257 /nfs/dbraw/zinc/67/62/57/360676257.db2.gz IAYQFBZLPHPXFG-SKDRFNHKSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000596893134 360975408 /nfs/dbraw/zinc/97/54/08/360975408.db2.gz FHEDOLHWLXQQHW-OCCSQVGLSA-N 1 2 297.424 0.860 20 30 CCEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000596753712 360950999 /nfs/dbraw/zinc/95/09/99/360950999.db2.gz SNJOCVOLIOFEAM-UHFFFAOYSA-N 1 2 273.300 0.606 20 30 CCEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000596753712 360951003 /nfs/dbraw/zinc/95/10/03/360951003.db2.gz SNJOCVOLIOFEAM-UHFFFAOYSA-N 1 2 273.300 0.606 20 30 CCEDLO N#CC1(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000597626376 361167045 /nfs/dbraw/zinc/16/70/45/361167045.db2.gz SRKHGUWPLKBIAT-LBPRGKRZSA-N 1 2 262.357 0.186 20 30 CCEDLO N#CC1(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000597626376 361167047 /nfs/dbraw/zinc/16/70/47/361167047.db2.gz SRKHGUWPLKBIAT-LBPRGKRZSA-N 1 2 262.357 0.186 20 30 CCEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)CO ZINC000597736797 361217224 /nfs/dbraw/zinc/21/72/24/361217224.db2.gz GEIAZRHDZJCXQL-MRVPVSSYSA-N 1 2 294.261 0.624 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000597999941 361306025 /nfs/dbraw/zinc/30/60/25/361306025.db2.gz TVMBAVMBFAIQDO-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)nc1 ZINC000597999941 361306028 /nfs/dbraw/zinc/30/60/28/361306028.db2.gz TVMBAVMBFAIQDO-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599430214 361697026 /nfs/dbraw/zinc/69/70/26/361697026.db2.gz PMOWSASVDXFXJT-NSHDSACASA-N 1 2 275.356 0.776 20 30 CCEDLO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1C#N ZINC000599532045 361729095 /nfs/dbraw/zinc/72/90/95/361729095.db2.gz WPOADEDGHWHGDI-HOTGVXAUSA-N 1 2 298.346 0.590 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612154756 363857360 /nfs/dbraw/zinc/85/73/60/363857360.db2.gz DRQXXVSXPHVSBR-GXFFZTMASA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612154756 363857368 /nfs/dbraw/zinc/85/73/68/363857368.db2.gz DRQXXVSXPHVSBR-GXFFZTMASA-N 1 2 266.345 0.846 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614662273 364695835 /nfs/dbraw/zinc/69/58/35/364695835.db2.gz YKWAAMRKMHRPSK-IAQYHMDHSA-N 1 2 293.367 0.094 20 30 CCEDLO C=C[C@H](O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614968404 364797383 /nfs/dbraw/zinc/79/73/83/364797383.db2.gz JUYFDQULISDUSF-JTQLQIEISA-N 1 2 262.300 0.627 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615530661 364993473 /nfs/dbraw/zinc/99/34/73/364993473.db2.gz CTSNFKIJQQKCFL-DGCLKSJQSA-N 1 2 284.335 0.354 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615540727 364997840 /nfs/dbraw/zinc/99/78/40/364997840.db2.gz YBHKOHPSVRNGBJ-LLVKDONJSA-N 1 2 251.265 0.567 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616100421 365177253 /nfs/dbraw/zinc/17/72/53/365177253.db2.gz IVWYENOVDRSUKF-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623255481 367493226 /nfs/dbraw/zinc/49/32/26/367493226.db2.gz JDPWPVZNISCUFU-SNVBAGLBSA-N 1 2 272.312 0.405 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623809714 367665109 /nfs/dbraw/zinc/66/51/09/367665109.db2.gz PNPBCXNCAIKHLZ-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623809714 367665122 /nfs/dbraw/zinc/66/51/22/367665122.db2.gz PNPBCXNCAIKHLZ-LBPRGKRZSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626082369 368434058 /nfs/dbraw/zinc/43/40/58/368434058.db2.gz WTMNTONRCCQKMZ-CHWSQXEVSA-N 1 2 295.383 0.152 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626082369 368434064 /nfs/dbraw/zinc/43/40/64/368434064.db2.gz WTMNTONRCCQKMZ-CHWSQXEVSA-N 1 2 295.383 0.152 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097476 368438706 /nfs/dbraw/zinc/43/87/06/368438706.db2.gz SMYJMAILPNPRRW-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097476 368438713 /nfs/dbraw/zinc/43/87/13/368438713.db2.gz SMYJMAILPNPRRW-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632261889 370947484 /nfs/dbraw/zinc/94/74/84/370947484.db2.gz CBUPFXKCXDGRER-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO C=CCCN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632261889 370947487 /nfs/dbraw/zinc/94/74/87/370947487.db2.gz CBUPFXKCXDGRER-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO C=CC[C@H](CC)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632301711 370972231 /nfs/dbraw/zinc/97/22/31/370972231.db2.gz LGBKVSNYKCKQLX-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CC[C@H](CC)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632301711 370972234 /nfs/dbraw/zinc/97/22/34/370972234.db2.gz LGBKVSNYKCKQLX-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632285649 370961867 /nfs/dbraw/zinc/96/18/67/370961867.db2.gz YLFFWPCJOCWFJR-CHWSQXEVSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C[C@@H]1CCCCN1S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632285649 370961871 /nfs/dbraw/zinc/96/18/71/370961871.db2.gz YLFFWPCJOCWFJR-CHWSQXEVSA-N 1 2 288.413 0.687 20 30 CCEDLO C=CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630395419 370092583 /nfs/dbraw/zinc/09/25/83/370092583.db2.gz OZMFWPKIFLQLAV-AWEZNQCLSA-N 1 2 283.372 0.087 20 30 CCEDLO C=CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630395419 370092586 /nfs/dbraw/zinc/09/25/86/370092586.db2.gz OZMFWPKIFLQLAV-AWEZNQCLSA-N 1 2 283.372 0.087 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC(C)C)nn1 ZINC000656447946 412799379 /nfs/dbraw/zinc/79/93/79/412799379.db2.gz PULWDRGCKGMRMM-LLVKDONJSA-N 1 2 263.345 0.477 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284502 284369291 /nfs/dbraw/zinc/36/92/91/284369291.db2.gz GLGRNJGADOCDAS-STQMWFEESA-N 1 2 287.319 0.580 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284502 284369292 /nfs/dbraw/zinc/36/92/92/284369292.db2.gz GLGRNJGADOCDAS-STQMWFEESA-N 1 2 287.319 0.580 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636229881 373473950 /nfs/dbraw/zinc/47/39/50/373473950.db2.gz SUIGGGCMQZFETP-UKRRQHHQSA-N 1 2 290.363 0.933 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636229881 373473955 /nfs/dbraw/zinc/47/39/55/373473955.db2.gz SUIGGGCMQZFETP-UKRRQHHQSA-N 1 2 290.363 0.933 20 30 CCEDLO C=CCCCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638394862 374988609 /nfs/dbraw/zinc/98/86/09/374988609.db2.gz LJPLLLSFGZWVJE-LBPRGKRZSA-N 1 2 267.373 0.669 20 30 CCEDLO COCC#CC[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000639772488 376004269 /nfs/dbraw/zinc/00/42/69/376004269.db2.gz OVHRTOIKUAQWRO-GFCCVEGCSA-N 1 2 265.357 0.719 20 30 CCEDLO C=CCOCCn1cc[nH+]c1CN1CCOCC1 ZINC000641727335 377426395 /nfs/dbraw/zinc/42/63/95/377426395.db2.gz XMXRHVVKCGHZNR-UHFFFAOYSA-N 1 2 251.330 0.918 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1C#N ZINC000515541556 249139086 /nfs/dbraw/zinc/13/90/86/249139086.db2.gz CSVSAEBYJSNOHE-UHFFFAOYSA-N 1 2 272.352 0.951 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(Br)c1 ZINC000278541842 194034433 /nfs/dbraw/zinc/03/44/33/194034433.db2.gz AIAXFLALFKUCII-RYUDHWBXSA-N 1 2 297.152 0.858 20 30 CCEDLO CN(CC#CC[N@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000278704514 194112788 /nfs/dbraw/zinc/11/27/88/194112788.db2.gz TZHXAVWEMADXDL-UHFFFAOYSA-N 1 2 296.378 0.834 20 30 CCEDLO CN(CC#CC[N@@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000278704514 194112790 /nfs/dbraw/zinc/11/27/90/194112790.db2.gz TZHXAVWEMADXDL-UHFFFAOYSA-N 1 2 296.378 0.834 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000282959987 388759506 /nfs/dbraw/zinc/75/95/06/388759506.db2.gz LPFHXZWCFMQXLC-ZDUSSCGKSA-N 1 2 278.356 0.882 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000282959987 388759509 /nfs/dbraw/zinc/75/95/09/388759509.db2.gz LPFHXZWCFMQXLC-ZDUSSCGKSA-N 1 2 278.356 0.882 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283426128 388765069 /nfs/dbraw/zinc/76/50/69/388765069.db2.gz ZUSDFRAWCVVQAN-UHFFFAOYSA-N 1 2 276.340 0.590 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283928446 388771001 /nfs/dbraw/zinc/77/10/01/388771001.db2.gz GRAKTCOVRPQZHG-ZJUUUORDSA-N 1 2 280.328 0.233 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284648033 388782513 /nfs/dbraw/zinc/78/25/13/388782513.db2.gz SKIHTJMKSQDTEO-UHFFFAOYSA-N 1 2 290.367 0.798 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000287572907 388854351 /nfs/dbraw/zinc/85/43/51/388854351.db2.gz YOKSJHKTPOIGBC-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000287572907 388854355 /nfs/dbraw/zinc/85/43/55/388854355.db2.gz YOKSJHKTPOIGBC-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000289818977 388895187 /nfs/dbraw/zinc/89/51/87/388895187.db2.gz NZRNYQVLNMHGKO-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000289594858 388875568 /nfs/dbraw/zinc/87/55/68/388875568.db2.gz SLGLWTIXJOVSGG-UHFFFAOYSA-N 1 2 270.358 0.292 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)C#N ZINC000049000606 388912784 /nfs/dbraw/zinc/91/27/84/388912784.db2.gz ATUKGCSNRREHIW-MRVPVSSYSA-N 1 2 294.277 0.856 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)C#N ZINC000049000606 388912785 /nfs/dbraw/zinc/91/27/85/388912785.db2.gz ATUKGCSNRREHIW-MRVPVSSYSA-N 1 2 294.277 0.856 20 30 CCEDLO CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855735 388936766 /nfs/dbraw/zinc/93/67/66/388936766.db2.gz XZQKZFJUQNKKTP-UHFFFAOYSA-N 1 2 253.346 0.861 20 30 CCEDLO C#CC[N@@H+](CCOCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000066539021 388945416 /nfs/dbraw/zinc/94/54/16/388945416.db2.gz ADEKCDYMLQCQHH-JTQLQIEISA-N 1 2 299.314 0.688 20 30 CCEDLO C#CC[N@H+](CCOCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000066539021 388945417 /nfs/dbraw/zinc/94/54/17/388945417.db2.gz ADEKCDYMLQCQHH-JTQLQIEISA-N 1 2 299.314 0.688 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000298528067 389028677 /nfs/dbraw/zinc/02/86/77/389028677.db2.gz RYDPKJNMQGMAFM-AWEZNQCLSA-N 1 2 299.378 0.744 20 30 CCEDLO Cc1nc(CO[NH+]=C(N)CN2CCOCC2)sc1C ZINC000088520554 389013700 /nfs/dbraw/zinc/01/37/00/389013700.db2.gz QIHFEXHZIUNIQR-UHFFFAOYSA-N 1 2 284.385 0.881 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865070 389025484 /nfs/dbraw/zinc/02/54/84/389025484.db2.gz OVJFZGWMHBLXHE-CQSZACIVSA-N 1 2 285.347 0.908 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091865070 389025488 /nfs/dbraw/zinc/02/54/88/389025488.db2.gz OVJFZGWMHBLXHE-CQSZACIVSA-N 1 2 285.347 0.908 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)C(=O)[C@H]2CC)C1=O ZINC000337208141 389055765 /nfs/dbraw/zinc/05/57/65/389055765.db2.gz PZDIWJHLDFAFKF-CHWSQXEVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)C(=O)[C@H]2CC)C1=O ZINC000337208141 389055768 /nfs/dbraw/zinc/05/57/68/389055768.db2.gz PZDIWJHLDFAFKF-CHWSQXEVSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337232853 389056706 /nfs/dbraw/zinc/05/67/06/389056706.db2.gz VXPGAVXJWYZMKJ-VXGBXAGGSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337232853 389056710 /nfs/dbraw/zinc/05/67/10/389056710.db2.gz VXPGAVXJWYZMKJ-VXGBXAGGSA-N 1 2 288.413 0.386 20 30 CCEDLO N#Cc1cccc(C#N)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000302422696 389070226 /nfs/dbraw/zinc/07/02/26/389070226.db2.gz JJVCCHCDCOESAV-AWEZNQCLSA-N 1 2 286.335 0.535 20 30 CCEDLO CCOC(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000302430268 389070604 /nfs/dbraw/zinc/07/06/04/389070604.db2.gz SDYGFJXMYJZTLM-NSHDSACASA-N 1 2 255.318 0.689 20 30 CCEDLO N#CCCCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000355401289 389072902 /nfs/dbraw/zinc/07/29/02/389072902.db2.gz WFYFVWBADXXAMN-UHFFFAOYSA-N 1 2 290.371 0.931 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338183166 389086029 /nfs/dbraw/zinc/08/60/29/389086029.db2.gz XDPIZIPGYQZBLR-LLVKDONJSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105609970 389086829 /nfs/dbraw/zinc/08/68/29/389086829.db2.gz ZNGCZRQWZNTHBL-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105609970 389086831 /nfs/dbraw/zinc/08/68/31/389086831.db2.gz ZNGCZRQWZNTHBL-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)c[nH]1 ZINC000092936421 389033388 /nfs/dbraw/zinc/03/33/88/389033388.db2.gz YUNYNNZLPXVCRM-UHFFFAOYSA-N 1 2 262.313 0.442 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCCNC1=O ZINC000328938388 389146122 /nfs/dbraw/zinc/14/61/22/389146122.db2.gz RMUOXFVZLHQCFH-NSHDSACASA-N 1 2 298.387 0.720 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCCNC1=O ZINC000328938388 389146123 /nfs/dbraw/zinc/14/61/23/389146123.db2.gz RMUOXFVZLHQCFH-NSHDSACASA-N 1 2 298.387 0.720 20 30 CCEDLO NC(CCO)=[NH+]OCc1ccc2c(c1)OCCO2 ZINC000121314007 389146849 /nfs/dbraw/zinc/14/68/49/389146849.db2.gz GCWJRPXWDBSBHS-UHFFFAOYSA-N 1 2 252.270 0.629 20 30 CCEDLO N#CCCOCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000338912773 389118578 /nfs/dbraw/zinc/11/85/78/389118578.db2.gz RGRBJHLUCKTWQV-AWEZNQCLSA-N 1 2 273.336 0.829 20 30 CCEDLO N#CCCOCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000338912773 389118581 /nfs/dbraw/zinc/11/85/81/389118581.db2.gz RGRBJHLUCKTWQV-AWEZNQCLSA-N 1 2 273.336 0.829 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000358316975 389148609 /nfs/dbraw/zinc/14/86/09/389148609.db2.gz JJSXJVHRMUTINK-GHMZBOCLSA-N 1 2 263.301 0.206 20 30 CCEDLO CC(C)(C(=O)NCCN1C(=O)CCC1=O)[NH+]1CCOCC1 ZINC000328733356 389134927 /nfs/dbraw/zinc/13/49/27/389134927.db2.gz JPHBBNJVXXCWJS-UHFFFAOYSA-N 1 2 297.355 0.203 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000328783342 389138041 /nfs/dbraw/zinc/13/80/41/389138041.db2.gz NKYRIGJXKYQEMQ-DGCLKSJQSA-N 1 2 256.346 0.825 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000328783342 389138043 /nfs/dbraw/zinc/13/80/43/389138043.db2.gz NKYRIGJXKYQEMQ-DGCLKSJQSA-N 1 2 256.346 0.825 20 30 CCEDLO C[C@]1(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC000328863783 389142356 /nfs/dbraw/zinc/14/23/56/389142356.db2.gz MPPOUMWUZVUCQX-AWEZNQCLSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@]1(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC000328863783 389142358 /nfs/dbraw/zinc/14/23/58/389142358.db2.gz MPPOUMWUZVUCQX-AWEZNQCLSA-N 1 2 285.388 0.780 20 30 CCEDLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cn[nH]c1 ZINC000328874845 389142548 /nfs/dbraw/zinc/14/25/48/389142548.db2.gz RUPKUBIIOPVFLF-WCQYABFASA-N 1 2 293.371 0.791 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](CO)C1 ZINC000329747290 389195712 /nfs/dbraw/zinc/19/57/12/389195712.db2.gz SFPMLRZTYCCZRT-MNOVXSKESA-N 1 2 278.356 0.885 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](CO)C1 ZINC000329747290 389195716 /nfs/dbraw/zinc/19/57/16/389195716.db2.gz SFPMLRZTYCCZRT-MNOVXSKESA-N 1 2 278.356 0.885 20 30 CCEDLO C=CC[C@H](CO)Nc1nc(C)[nH+]c(N[C@H](CO)CC=C)n1 ZINC000358514940 389153537 /nfs/dbraw/zinc/15/35/37/389153537.db2.gz ALHPBIXWJRZWTM-TXEJJXNPSA-N 1 2 293.371 0.300 20 30 CCEDLO C=CC[C@H](CO)Nc1nc(N[C@H](CO)CC=C)nc(C)[nH+]1 ZINC000358514940 389153539 /nfs/dbraw/zinc/15/35/39/389153539.db2.gz ALHPBIXWJRZWTM-TXEJJXNPSA-N 1 2 293.371 0.300 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CCOCC2(CC2)C1 ZINC000329328766 389157799 /nfs/dbraw/zinc/15/77/99/389157799.db2.gz XWIKNOPHWBOGNU-UHFFFAOYSA-N 1 2 264.329 0.910 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCOCC2(CC2)C1 ZINC000329328766 389157803 /nfs/dbraw/zinc/15/78/03/389157803.db2.gz XWIKNOPHWBOGNU-UHFFFAOYSA-N 1 2 264.329 0.910 20 30 CCEDLO C[C@H](C(=O)NCC(=O)C1CC1)N1CC[NH+](C)CC1 ZINC000329346526 389158438 /nfs/dbraw/zinc/15/84/38/389158438.db2.gz VFHLAKHDYSBRQE-SNVBAGLBSA-N 1 2 253.346 0.558 20 30 CCEDLO Cn1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cn1 ZINC000329391725 389161178 /nfs/dbraw/zinc/16/11/78/389161178.db2.gz VMAUOXHGNPTAGF-UHFFFAOYSA-N 1 2 295.343 0.013 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000358945489 389163943 /nfs/dbraw/zinc/16/39/43/389163943.db2.gz ZDOQRUWLVAGOHV-NSHDSACASA-N 1 2 266.345 0.885 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCCC[C@H]2O)C1 ZINC000329454912 389165156 /nfs/dbraw/zinc/16/51/56/389165156.db2.gz PQYDLDRFQSBLTR-BFHYXJOUSA-N 1 2 298.431 0.429 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCCC[C@H]2O)C1 ZINC000329454912 389165158 /nfs/dbraw/zinc/16/51/58/389165158.db2.gz PQYDLDRFQSBLTR-BFHYXJOUSA-N 1 2 298.431 0.429 20 30 CCEDLO CCOC1CC(N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329468611 389165904 /nfs/dbraw/zinc/16/59/04/389165904.db2.gz XKTSYZCDMMNNSZ-BPCQOVAHSA-N 1 2 285.388 0.730 20 30 CCEDLO CCOC1CC(N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329468611 389165906 /nfs/dbraw/zinc/16/59/06/389165906.db2.gz XKTSYZCDMMNNSZ-BPCQOVAHSA-N 1 2 285.388 0.730 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000245390732 389204925 /nfs/dbraw/zinc/20/49/25/389204925.db2.gz MZUGVJCCBBABBF-WFASDCNBSA-N 1 2 294.399 0.641 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000245390732 389204927 /nfs/dbraw/zinc/20/49/27/389204927.db2.gz MZUGVJCCBBABBF-WFASDCNBSA-N 1 2 294.399 0.641 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329613007 389176458 /nfs/dbraw/zinc/17/64/58/389176458.db2.gz ORSQZOAXYCLPQL-XJFOESAGSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329613007 389176461 /nfs/dbraw/zinc/17/64/61/389176461.db2.gz ORSQZOAXYCLPQL-XJFOESAGSA-N 1 2 297.399 0.730 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1CO ZINC000329621727 389177833 /nfs/dbraw/zinc/17/78/33/389177833.db2.gz NBQRRAMMTVFENR-NXEZZACHSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1CO ZINC000329621727 389177836 /nfs/dbraw/zinc/17/78/36/389177836.db2.gz NBQRRAMMTVFENR-NXEZZACHSA-N 1 2 264.329 0.638 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000247924191 389243320 /nfs/dbraw/zinc/24/33/20/389243320.db2.gz CHXXXTFZXOBSGF-NEPJUHHUSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000247924191 389243323 /nfs/dbraw/zinc/24/33/23/389243323.db2.gz CHXXXTFZXOBSGF-NEPJUHHUSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330592642 389245247 /nfs/dbraw/zinc/24/52/47/389245247.db2.gz WDGATIZGZUVAJT-BFHYXJOUSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330592642 389245249 /nfs/dbraw/zinc/24/52/49/389245249.db2.gz WDGATIZGZUVAJT-BFHYXJOUSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCOC[C@H]([NH2+]CC[C@H]1CCOC1)C(=O)OC ZINC000361113152 389208335 /nfs/dbraw/zinc/20/83/35/389208335.db2.gz KLXQLSUVDHISQI-RYUDHWBXSA-N 1 2 257.330 0.747 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)OC ZINC000361112488 389208718 /nfs/dbraw/zinc/20/87/18/389208718.db2.gz YRISJEXIUXRWMW-TUAOUCFPSA-N 1 2 257.330 0.745 20 30 CCEDLO CCn1ncnc1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000329930729 389212337 /nfs/dbraw/zinc/21/23/37/389212337.db2.gz ORJBONBESYSZMS-NSHDSACASA-N 1 2 296.375 0.022 20 30 CCEDLO O=C(C[N@@H+]1CCOC2(CCOCC2)C1)NC(=O)NC1CC1 ZINC000330191328 389218174 /nfs/dbraw/zinc/21/81/74/389218174.db2.gz WYSBDLGJJPCMAK-UHFFFAOYSA-N 1 2 297.355 0.901 20 30 CCEDLO O=C(C[N@H+]1CCOC2(CCOCC2)C1)NC(=O)NC1CC1 ZINC000330191328 389218176 /nfs/dbraw/zinc/21/81/76/389218176.db2.gz WYSBDLGJJPCMAK-UHFFFAOYSA-N 1 2 297.355 0.901 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000245839376 389219089 /nfs/dbraw/zinc/21/90/89/389219089.db2.gz HOVZTPHRTMCORR-DZGCQCFKSA-N 1 2 277.368 0.906 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000245839376 389219093 /nfs/dbraw/zinc/21/90/93/389219093.db2.gz HOVZTPHRTMCORR-DZGCQCFKSA-N 1 2 277.368 0.906 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000246952947 389234317 /nfs/dbraw/zinc/23/43/17/389234317.db2.gz RFOVJYAFOLMHCG-ZIAGYGMSSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000246952947 389234319 /nfs/dbraw/zinc/23/43/19/389234319.db2.gz RFOVJYAFOLMHCG-ZIAGYGMSSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330529840 389238534 /nfs/dbraw/zinc/23/85/34/389238534.db2.gz MIHDYMAALBMFCX-VXGBXAGGSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330529840 389238538 /nfs/dbraw/zinc/23/85/38/389238538.db2.gz MIHDYMAALBMFCX-VXGBXAGGSA-N 1 2 270.373 0.803 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CCCCC1 ZINC000330536670 389238934 /nfs/dbraw/zinc/23/89/34/389238934.db2.gz WYDZPIYNTOPCNS-LLVKDONJSA-N 1 2 293.371 0.486 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CCCCC1 ZINC000330536670 389238936 /nfs/dbraw/zinc/23/89/36/389238936.db2.gz WYDZPIYNTOPCNS-LLVKDONJSA-N 1 2 293.371 0.486 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000346252375 389325191 /nfs/dbraw/zinc/32/51/91/389325191.db2.gz ZPXDVPKXOGTUCT-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@H+](CCCC#N)[C@@H]1C(=O)OC ZINC000156271758 389325650 /nfs/dbraw/zinc/32/56/50/389325650.db2.gz MSXGFCFZJGIJFV-MNOVXSKESA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@@H+](CCCC#N)[C@@H]1C(=O)OC ZINC000156271758 389325655 /nfs/dbraw/zinc/32/56/55/389325655.db2.gz MSXGFCFZJGIJFV-MNOVXSKESA-N 1 2 268.313 0.717 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346451131 389329087 /nfs/dbraw/zinc/32/90/87/389329087.db2.gz JGGRFIGONZGJKC-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346451131 389329089 /nfs/dbraw/zinc/32/90/89/389329089.db2.gz JGGRFIGONZGJKC-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346452178 389329367 /nfs/dbraw/zinc/32/93/67/389329367.db2.gz KCVFLLGMJNCKLJ-GFCCVEGCSA-N 1 2 278.356 0.055 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346452178 389329368 /nfs/dbraw/zinc/32/93/68/389329368.db2.gz KCVFLLGMJNCKLJ-GFCCVEGCSA-N 1 2 278.356 0.055 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157243054 389330434 /nfs/dbraw/zinc/33/04/34/389330434.db2.gz WUCVHBKDLHIWGS-OLZOCXBDSA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157243054 389330437 /nfs/dbraw/zinc/33/04/37/389330437.db2.gz WUCVHBKDLHIWGS-OLZOCXBDSA-N 1 2 283.372 0.220 20 30 CCEDLO CC#CCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000157980474 389334640 /nfs/dbraw/zinc/33/46/40/389334640.db2.gz AAVCMTWWEBHQBJ-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000157980474 389334644 /nfs/dbraw/zinc/33/46/44/389334644.db2.gz AAVCMTWWEBHQBJ-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cn[nH]n1 ZINC000331036425 389291372 /nfs/dbraw/zinc/29/13/72/389291372.db2.gz NLHYNZQRKNHNNJ-SNVBAGLBSA-N 1 2 266.349 0.135 20 30 CCEDLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn[nH]n1 ZINC000331036425 389291375 /nfs/dbraw/zinc/29/13/75/389291375.db2.gz NLHYNZQRKNHNNJ-SNVBAGLBSA-N 1 2 266.349 0.135 20 30 CCEDLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn[nH]1 ZINC000331036425 389291378 /nfs/dbraw/zinc/29/13/78/389291378.db2.gz NLHYNZQRKNHNNJ-SNVBAGLBSA-N 1 2 266.349 0.135 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348367419 389375208 /nfs/dbraw/zinc/37/52/08/389375208.db2.gz RICSAPJCEQTOTK-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348367419 389375212 /nfs/dbraw/zinc/37/52/12/389375212.db2.gz RICSAPJCEQTOTK-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000348474173 389379085 /nfs/dbraw/zinc/37/90/85/389379085.db2.gz OMPLNEQZGURVRU-CABZTGNLSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000348474173 389379088 /nfs/dbraw/zinc/37/90/88/389379088.db2.gz OMPLNEQZGURVRU-CABZTGNLSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347015343 389345353 /nfs/dbraw/zinc/34/53/53/389345353.db2.gz CYXLQASHVXPQAJ-GFCCVEGCSA-N 1 2 288.351 0.515 20 30 CCEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000347212150 389349876 /nfs/dbraw/zinc/34/98/76/389349876.db2.gz UYJTUPWHPCUWJA-WDEREUQCSA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000347212150 389349878 /nfs/dbraw/zinc/34/98/78/389349878.db2.gz UYJTUPWHPCUWJA-WDEREUQCSA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@H]1CCNC1=O ZINC000332753007 389365531 /nfs/dbraw/zinc/36/55/31/389365531.db2.gz GFVUIPQCNWJNQH-RYUDHWBXSA-N 1 2 292.383 0.538 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000332753007 389365534 /nfs/dbraw/zinc/36/55/34/389365534.db2.gz GFVUIPQCNWJNQH-RYUDHWBXSA-N 1 2 292.383 0.538 20 30 CCEDLO N#CCC[N@H+](CCN1CCOCC1)CCC1(O)CCC1 ZINC000411311476 389423742 /nfs/dbraw/zinc/42/37/42/389423742.db2.gz XIUMNWLDNYIVLX-UHFFFAOYSA-N 1 2 281.400 0.839 20 30 CCEDLO N#CCC[N@@H+](CCN1CCOCC1)CCC1(O)CCC1 ZINC000411311476 389423747 /nfs/dbraw/zinc/42/37/47/389423747.db2.gz XIUMNWLDNYIVLX-UHFFFAOYSA-N 1 2 281.400 0.839 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)CCC1(O)CCC1 ZINC000411311476 389423749 /nfs/dbraw/zinc/42/37/49/389423749.db2.gz XIUMNWLDNYIVLX-UHFFFAOYSA-N 1 2 281.400 0.839 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274161808 389492330 /nfs/dbraw/zinc/49/23/30/389492330.db2.gz MGNQUWCIHXIRAX-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274161808 389492333 /nfs/dbraw/zinc/49/23/33/389492333.db2.gz MGNQUWCIHXIRAX-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274161813 389492379 /nfs/dbraw/zinc/49/23/79/389492379.db2.gz MGNQUWCIHXIRAX-WDEREUQCSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274161813 389492381 /nfs/dbraw/zinc/49/23/81/389492381.db2.gz MGNQUWCIHXIRAX-WDEREUQCSA-N 1 2 274.386 0.186 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000271194329 389440066 /nfs/dbraw/zinc/44/00/66/389440066.db2.gz QRKZYQFKLRTNJG-UHFFFAOYSA-N 1 2 283.353 0.665 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N(CCC#N)Cc2ccco2)C1 ZINC000172726698 389492726 /nfs/dbraw/zinc/49/27/26/389492726.db2.gz SICHYMTXYYZKIM-ZDUSSCGKSA-N 1 2 277.324 0.852 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N(CCC#N)Cc2ccco2)C1 ZINC000172726698 389492729 /nfs/dbraw/zinc/49/27/29/389492729.db2.gz SICHYMTXYYZKIM-ZDUSSCGKSA-N 1 2 277.324 0.852 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncc(OC)n2)CC1 ZINC000276642671 389522189 /nfs/dbraw/zinc/52/21/89/389522189.db2.gz SJOBCJKTGLPARB-UHFFFAOYSA-N 1 2 274.324 0.266 20 30 CCEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000281262842 389612114 /nfs/dbraw/zinc/61/21/14/389612114.db2.gz GZQFGWWYVLRSHP-LBPRGKRZSA-N 1 2 296.415 0.932 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)c(O)co2)C1=O ZINC000281333282 389614549 /nfs/dbraw/zinc/61/45/49/389614549.db2.gz MBAOAHZLMMTXGB-NSHDSACASA-N 1 2 278.308 0.564 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)c(O)co2)C1=O ZINC000281333282 389614552 /nfs/dbraw/zinc/61/45/52/389614552.db2.gz MBAOAHZLMMTXGB-NSHDSACASA-N 1 2 278.308 0.564 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000424704326 389629392 /nfs/dbraw/zinc/62/93/92/389629392.db2.gz IBMVAVBPIBDENP-ZDUSSCGKSA-N 1 2 284.400 0.740 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351618578 389636575 /nfs/dbraw/zinc/63/65/75/389636575.db2.gz JWNVHMSTJQVPKF-LBPRGKRZSA-N 1 2 299.334 0.474 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351618578 389636580 /nfs/dbraw/zinc/63/65/80/389636580.db2.gz JWNVHMSTJQVPKF-LBPRGKRZSA-N 1 2 299.334 0.474 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2C(N)=O)C1=O ZINC000282039357 389648751 /nfs/dbraw/zinc/64/87/51/389648751.db2.gz QSGIJJPBKRBFBJ-GHMZBOCLSA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(N)=O)C1=O ZINC000282039357 389648757 /nfs/dbraw/zinc/64/87/57/389648757.db2.gz QSGIJJPBKRBFBJ-GHMZBOCLSA-N 1 2 251.330 0.113 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000182641149 389713074 /nfs/dbraw/zinc/71/30/74/389713074.db2.gz FIBKJKJKSPSARA-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000182641149 389713076 /nfs/dbraw/zinc/71/30/76/389713076.db2.gz FIBKJKJKSPSARA-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO CCc1nnc(CN(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000181729974 389693010 /nfs/dbraw/zinc/69/30/10/389693010.db2.gz BBOXWRBUVSVFLH-UHFFFAOYSA-N 1 2 292.387 0.415 20 30 CCEDLO Cc1cc(N[C@H]2CCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399568965 389792718 /nfs/dbraw/zinc/79/27/18/389792718.db2.gz HZTJKUXFOYOWTE-JTQLQIEISA-N 1 2 251.311 0.283 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)CC(N)=O ZINC000429175519 389743122 /nfs/dbraw/zinc/74/31/22/389743122.db2.gz UFFDUQFKGWFECM-UHFFFAOYSA-N 1 2 255.362 0.608 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CC(N)=O ZINC000429175519 389743125 /nfs/dbraw/zinc/74/31/25/389743125.db2.gz UFFDUQFKGWFECM-UHFFFAOYSA-N 1 2 255.362 0.608 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCn2ccnc2C1 ZINC000377087667 389744234 /nfs/dbraw/zinc/74/42/34/389744234.db2.gz APJKBXNLTPFBRA-JTQLQIEISA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000377087667 389744238 /nfs/dbraw/zinc/74/42/38/389744238.db2.gz APJKBXNLTPFBRA-JTQLQIEISA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1ccnc(NC[C@H](O)C[NH+]2CCOCC2)c1Cl ZINC000429208573 389744933 /nfs/dbraw/zinc/74/49/33/389744933.db2.gz ZYZIFMYQZSWFHY-NSHDSACASA-N 1 2 296.758 0.134 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000429260884 389747614 /nfs/dbraw/zinc/74/76/14/389747614.db2.gz DFDREVGSHWSFNM-NSHDSACASA-N 1 2 288.413 0.434 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1C#N ZINC000443070554 389873352 /nfs/dbraw/zinc/87/33/52/389873352.db2.gz ZFMHQGBPRGRLNA-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1C#N ZINC000443070554 389873353 /nfs/dbraw/zinc/87/33/53/389873353.db2.gz ZFMHQGBPRGRLNA-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO C[C@H](CC#N)N(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000408204735 389835222 /nfs/dbraw/zinc/83/52/22/389835222.db2.gz OQYCLGQJCURJSF-VXGBXAGGSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@@H](CC#N)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000408204734 389835242 /nfs/dbraw/zinc/83/52/42/389835242.db2.gz OQYCLGQJCURJSF-RYUDHWBXSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442646670 389852188 /nfs/dbraw/zinc/85/21/88/389852188.db2.gz HPPFHZGFHFFRNJ-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442646670 389852189 /nfs/dbraw/zinc/85/21/89/389852189.db2.gz HPPFHZGFHFFRNJ-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433314494 389908303 /nfs/dbraw/zinc/90/83/03/389908303.db2.gz ZUUXTYYQEITGID-UHFFFAOYSA-N 1 2 295.383 0.880 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433314494 389908304 /nfs/dbraw/zinc/90/83/04/389908304.db2.gz ZUUXTYYQEITGID-UHFFFAOYSA-N 1 2 295.383 0.880 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433318490 389908696 /nfs/dbraw/zinc/90/86/96/389908696.db2.gz GUIRTDFYNJADHI-GFCCVEGCSA-N 1 2 294.399 0.547 20 30 CCEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433318490 389908697 /nfs/dbraw/zinc/90/86/97/389908697.db2.gz GUIRTDFYNJADHI-GFCCVEGCSA-N 1 2 294.399 0.547 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939810 390038793 /nfs/dbraw/zinc/03/87/93/390038793.db2.gz NPGHEJRNMVQSHM-VXGBXAGGSA-N 1 2 295.383 0.409 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939810 390038794 /nfs/dbraw/zinc/03/87/94/390038794.db2.gz NPGHEJRNMVQSHM-VXGBXAGGSA-N 1 2 295.383 0.409 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000440951226 390047495 /nfs/dbraw/zinc/04/74/95/390047495.db2.gz MZMFVFLQMSTUJY-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000440951226 390047497 /nfs/dbraw/zinc/04/74/97/390047497.db2.gz MZMFVFLQMSTUJY-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000448972886 389991861 /nfs/dbraw/zinc/99/18/61/389991861.db2.gz WJVGOVWKKNWXMF-DGCLKSJQSA-N 1 2 251.330 0.327 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000420438664 390004114 /nfs/dbraw/zinc/00/41/14/390004114.db2.gz LMEWCOGOCCULBH-ZDUSSCGKSA-N 1 2 297.355 0.880 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@]1(C#N)CCOC1 ZINC000492699746 390118370 /nfs/dbraw/zinc/11/83/70/390118370.db2.gz BXIONLGQGNQJPB-ITDFMYJTSA-N 1 2 260.297 0.715 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\C1CCOCC1 ZINC000493060644 390118845 /nfs/dbraw/zinc/11/88/45/390118845.db2.gz YLYFALDLDHSUPG-WSNITJDQSA-N 1 2 265.357 0.929 20 30 CCEDLO N#Cc1cncc(SCC[NH+]2CCOCC2)n1 ZINC000579585687 390186971 /nfs/dbraw/zinc/18/69/71/390186971.db2.gz RCSQPTGZISVGLT-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO N#Cc1csc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000579417965 390171178 /nfs/dbraw/zinc/17/11/78/390171178.db2.gz SORXZPPKQVEUPP-LBPRGKRZSA-N 1 2 262.338 0.727 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000579417965 390171181 /nfs/dbraw/zinc/17/11/81/390171181.db2.gz SORXZPPKQVEUPP-LBPRGKRZSA-N 1 2 262.338 0.727 20 30 CCEDLO C[C@H](Cc1cnn(C)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579480285 390178109 /nfs/dbraw/zinc/17/81/09/390178109.db2.gz BMUSWLSWRCIWFY-RISCZKNCSA-N 1 2 277.372 0.559 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CC1 ZINC000580111452 390221653 /nfs/dbraw/zinc/22/16/53/390221653.db2.gz KVBONBBKPXDHME-CHWSQXEVSA-N 1 2 292.383 0.795 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000645115353 390373331 /nfs/dbraw/zinc/37/33/31/390373331.db2.gz NZEDENBDQQSXCM-CYBMUJFWSA-N 1 2 297.399 0.171 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000643400268 390440393 /nfs/dbraw/zinc/44/03/93/390440393.db2.gz XXXQJUMDEIACDX-CYBMUJFWSA-N 1 2 294.399 0.511 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001026 390619194 /nfs/dbraw/zinc/61/91/94/390619194.db2.gz CYJMOARAHAQRHB-CFMSYZGJSA-N 1 2 291.380 0.800 20 30 CCEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001026 390619199 /nfs/dbraw/zinc/61/91/99/390619199.db2.gz CYJMOARAHAQRHB-CFMSYZGJSA-N 1 2 291.380 0.800 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2n(n1)CCCC2 ZINC000567995484 390711958 /nfs/dbraw/zinc/71/19/58/390711958.db2.gz MCNRFPJUCADNIK-CQSZACIVSA-N 1 2 275.356 0.793 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646576637 390696633 /nfs/dbraw/zinc/69/66/33/390696633.db2.gz YRUMFEWQNCLVOP-LSDHHAIUSA-N 1 2 290.363 0.551 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646576637 390696636 /nfs/dbraw/zinc/69/66/36/390696636.db2.gz YRUMFEWQNCLVOP-LSDHHAIUSA-N 1 2 290.363 0.551 20 30 CCEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1=O ZINC000527302626 390701026 /nfs/dbraw/zinc/70/10/26/390701026.db2.gz YAWDWEWBPHQCJP-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1=O ZINC000527302626 390701027 /nfs/dbraw/zinc/70/10/27/390701027.db2.gz YAWDWEWBPHQCJP-GFCCVEGCSA-N 1 2 292.383 0.492 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000528630476 390764654 /nfs/dbraw/zinc/76/46/54/390764654.db2.gz RUFYMVKMHNUMMU-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000528630476 390764655 /nfs/dbraw/zinc/76/46/55/390764655.db2.gz RUFYMVKMHNUMMU-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000349571793 533596809 /nfs/dbraw/zinc/59/68/09/533596809.db2.gz XIQCSJLPPIYYON-LLVKDONJSA-N 1 2 299.396 0.339 20 30 CCEDLO N#Cc1cccc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000532638548 285807873 /nfs/dbraw/zinc/80/78/73/285807873.db2.gz XIKHFERTGBIEFA-HNNXBMFYSA-N 1 2 284.363 0.217 20 30 CCEDLO C=CCOCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660705888 414452983 /nfs/dbraw/zinc/45/29/83/414452983.db2.gz GSZPQDKJRARSHG-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(OC)nn2)no1 ZINC000662168842 414695153 /nfs/dbraw/zinc/69/51/53/414695153.db2.gz XLNHXHHZQLSZIE-MRVPVSSYSA-N 1 2 277.284 0.172 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370557756 260081236 /nfs/dbraw/zinc/08/12/36/260081236.db2.gz LUXLKTAKTVSEFS-STQMWFEESA-N 1 2 293.367 0.712 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370557756 260081238 /nfs/dbraw/zinc/08/12/38/260081238.db2.gz LUXLKTAKTVSEFS-STQMWFEESA-N 1 2 293.367 0.712 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347339907 226118973 /nfs/dbraw/zinc/11/89/73/226118973.db2.gz CSOYNQKIKSSASV-AAEUAGOBSA-N 1 2 271.336 0.543 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347339907 226118975 /nfs/dbraw/zinc/11/89/75/226118975.db2.gz CSOYNQKIKSSASV-AAEUAGOBSA-N 1 2 271.336 0.543 20 30 CCEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1COCCO1 ZINC000329626093 227693790 /nfs/dbraw/zinc/69/37/90/227693790.db2.gz TUHVPOLDNOURQT-VHSXEESVSA-N 1 2 280.328 0.186 20 30 CCEDLO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000330264291 228084422 /nfs/dbraw/zinc/08/44/22/228084422.db2.gz XSNUNHTYSJVNFJ-SNVBAGLBSA-N 1 2 289.339 0.376 20 30 CCEDLO O=C(NCC#CCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000352170758 228191466 /nfs/dbraw/zinc/19/14/66/228191466.db2.gz GIHDXXISMXURCS-UHFFFAOYSA-N 1 2 269.304 0.657 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333393508 228199679 /nfs/dbraw/zinc/19/96/79/228199679.db2.gz MOBSGBUTDGGPAF-QWHCGFSZSA-N 1 2 292.383 0.843 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC000281695717 544961612 /nfs/dbraw/zinc/96/16/12/544961612.db2.gz LRFVTFPSPHXSMC-GFCCVEGCSA-N 1 2 276.340 0.588 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC000281695717 544961616 /nfs/dbraw/zinc/96/16/16/544961616.db2.gz LRFVTFPSPHXSMC-GFCCVEGCSA-N 1 2 276.340 0.588 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@H](C)[NH+]1CCOCC1 ZINC000329293224 545021664 /nfs/dbraw/zinc/02/16/64/545021664.db2.gz ROCIEIQWYOXTOU-SRVKXCTJSA-N 1 2 283.372 0.673 20 30 CCEDLO O=C(NCC[NH+]1CCSCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329470639 545022624 /nfs/dbraw/zinc/02/26/24/545022624.db2.gz YXWSKJVFGFAIEH-SNVBAGLBSA-N 1 2 292.426 0.426 20 30 CCEDLO CC#CCCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000342012817 545056353 /nfs/dbraw/zinc/05/63/53/545056353.db2.gz PBEQLINTZIRTHK-UHFFFAOYSA-N 1 2 282.384 0.333 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1nn(C)cc1C#N ZINC000610563107 420494796 /nfs/dbraw/zinc/49/47/96/420494796.db2.gz SAXILYSWMVLWRF-SNVBAGLBSA-N 1 2 292.343 0.134 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC(C)(C)C1 ZINC000073872070 260164618 /nfs/dbraw/zinc/16/46/18/260164618.db2.gz SWZSXEZOSWNQKM-NSHDSACASA-N 1 2 253.346 0.858 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCOC(C)(C)C1 ZINC000073872070 260164620 /nfs/dbraw/zinc/16/46/20/260164620.db2.gz SWZSXEZOSWNQKM-NSHDSACASA-N 1 2 253.346 0.858 20 30 CCEDLO C=C(C)CN(C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302344474 260213603 /nfs/dbraw/zinc/21/36/03/260213603.db2.gz AIAYBQYIAZCTKO-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO C=C(C)CN(C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302344474 260213604 /nfs/dbraw/zinc/21/36/04/260213604.db2.gz AIAYBQYIAZCTKO-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000106330100 260632295 /nfs/dbraw/zinc/63/22/95/260632295.db2.gz MFLMMMXIIRTZNL-CYBMUJFWSA-N 1 2 299.334 0.811 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248960203 261223900 /nfs/dbraw/zinc/22/39/00/261223900.db2.gz GIAKAXLXVZXDLM-HZSPNIEDSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248960203 261223901 /nfs/dbraw/zinc/22/39/01/261223901.db2.gz GIAKAXLXVZXDLM-HZSPNIEDSA-N 1 2 284.400 0.881 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491780328 262039124 /nfs/dbraw/zinc/03/91/24/262039124.db2.gz KGULGDNJIFOULW-OLZOCXBDSA-N 1 2 266.389 0.285 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000526058248 262083520 /nfs/dbraw/zinc/08/35/20/262083520.db2.gz BADLHBNCECUBBJ-SWLSCSKDSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000526058248 262083521 /nfs/dbraw/zinc/08/35/21/262083521.db2.gz BADLHBNCECUBBJ-SWLSCSKDSA-N 1 2 293.367 0.429 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000192239552 262200374 /nfs/dbraw/zinc/20/03/74/262200374.db2.gz WASIRJRAVUQQKK-AWEZNQCLSA-N 1 2 276.384 0.244 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000192239552 262200375 /nfs/dbraw/zinc/20/03/75/262200375.db2.gz WASIRJRAVUQQKK-AWEZNQCLSA-N 1 2 276.384 0.244 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589275 262254271 /nfs/dbraw/zinc/25/42/71/262254271.db2.gz CMUMMSYMOHWTCK-SNVBAGLBSA-N 1 2 275.299 0.450 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589275 262254272 /nfs/dbraw/zinc/25/42/72/262254272.db2.gz CMUMMSYMOHWTCK-SNVBAGLBSA-N 1 2 275.299 0.450 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000354523820 262270092 /nfs/dbraw/zinc/27/00/92/262270092.db2.gz ZERWBVFKCGDGFJ-ZWNOBZJWSA-N 1 2 278.312 0.550 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000354523820 262270093 /nfs/dbraw/zinc/27/00/93/262270093.db2.gz ZERWBVFKCGDGFJ-ZWNOBZJWSA-N 1 2 278.312 0.550 20 30 CCEDLO CC#CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495582825 262280072 /nfs/dbraw/zinc/28/00/72/262280072.db2.gz DCXPZOCCHMPZAS-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO CC#CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495582825 262280073 /nfs/dbraw/zinc/28/00/73/262280073.db2.gz DCXPZOCCHMPZAS-LBPRGKRZSA-N 1 2 295.383 0.677 20 30 CCEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000266965676 262922267 /nfs/dbraw/zinc/92/22/67/262922267.db2.gz YDLQULYLZGWIFA-SECBINFHSA-N 1 2 252.318 0.599 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000266965676 262922268 /nfs/dbraw/zinc/92/22/68/262922268.db2.gz YDLQULYLZGWIFA-SECBINFHSA-N 1 2 252.318 0.599 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274361411 263023603 /nfs/dbraw/zinc/02/36/03/263023603.db2.gz NMRFSJSWLHZVQG-MRVPVSSYSA-N 1 2 296.283 0.593 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC(=C)C)CC1 ZINC000283407202 263082745 /nfs/dbraw/zinc/08/27/45/263082745.db2.gz WWIIGOAXRXQLCT-UHFFFAOYSA-N 1 2 259.357 0.918 20 30 CCEDLO NC(=[NH+]OCc1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000283965558 263085385 /nfs/dbraw/zinc/08/53/85/263085385.db2.gz GGDBRGOLJIICRP-QMMMGPOBSA-N 1 2 252.274 0.915 20 30 CCEDLO CC(C)Nc1nc(NCCO)[nH+]c(NCCCC#N)n1 ZINC000286865937 263100036 /nfs/dbraw/zinc/10/00/36/263100036.db2.gz NEFSSOTYYUVTBS-UHFFFAOYSA-N 1 2 279.348 0.812 20 30 CCEDLO CC(C)Nc1nc(NCCO)nc(NCCCC#N)[nH+]1 ZINC000286865937 263100037 /nfs/dbraw/zinc/10/00/37/263100037.db2.gz NEFSSOTYYUVTBS-UHFFFAOYSA-N 1 2 279.348 0.812 20 30 CCEDLO CC(C)Nc1nc(NCCCC#N)nc(NCCO)[nH+]1 ZINC000286865937 263100038 /nfs/dbraw/zinc/10/00/38/263100038.db2.gz NEFSSOTYYUVTBS-UHFFFAOYSA-N 1 2 279.348 0.812 20 30 CCEDLO Cc1ccc(C(N)=[NH+]OCc2nnn(C)n2)cc1F ZINC000289411599 263109881 /nfs/dbraw/zinc/10/98/81/263109881.db2.gz PLNXOPMBYYRTET-UHFFFAOYSA-N 1 2 264.264 0.495 20 30 CCEDLO Cc1cn2c([nH+]1)CN(CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000369997068 263152665 /nfs/dbraw/zinc/15/26/65/263152665.db2.gz OAMKZVFGOWEFMW-OAHLLOKOSA-N 1 2 287.367 0.816 20 30 CCEDLO CO/N=C/C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295822575 263182610 /nfs/dbraw/zinc/18/26/10/263182610.db2.gz HUWQZBYYNYCRAQ-UQDQQJHMSA-N 1 2 250.302 0.962 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CCCC1 ZINC000340590338 263214573 /nfs/dbraw/zinc/21/45/73/263214573.db2.gz UAGJBVCJFXSIKJ-LLVKDONJSA-N 1 2 290.323 0.694 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CCCC1 ZINC000340590338 263214575 /nfs/dbraw/zinc/21/45/75/263214575.db2.gz UAGJBVCJFXSIKJ-LLVKDONJSA-N 1 2 290.323 0.694 20 30 CCEDLO C[C@H](CCC#N)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000298605962 263223058 /nfs/dbraw/zinc/22/30/58/263223058.db2.gz LSGUQJMMYPOWLX-SECBINFHSA-N 1 2 266.374 0.935 20 30 CCEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000121152804 263289754 /nfs/dbraw/zinc/28/97/54/263289754.db2.gz GCKZIBNACCWXHZ-WDEREUQCSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000121152804 263289756 /nfs/dbraw/zinc/28/97/56/263289756.db2.gz GCKZIBNACCWXHZ-WDEREUQCSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000121153118 263289876 /nfs/dbraw/zinc/28/98/76/263289876.db2.gz GCKZIBNACCWXHZ-QWRGUYRKSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000121153118 263289879 /nfs/dbraw/zinc/28/98/79/263289879.db2.gz GCKZIBNACCWXHZ-QWRGUYRKSA-N 1 2 274.386 0.138 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C[C@@H]1C[C@@H]1C ZINC000341105002 263322520 /nfs/dbraw/zinc/32/25/20/263322520.db2.gz UARWDBVFZWPWSX-STQMWFEESA-N 1 2 279.384 0.549 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C[C@@H]1C[C@H]1C ZINC000341104422 263322530 /nfs/dbraw/zinc/32/25/30/263322530.db2.gz UARWDBVFZWPWSX-OLZOCXBDSA-N 1 2 279.384 0.549 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCc1[nH+]ccn1C ZINC000341851743 263359526 /nfs/dbraw/zinc/35/95/26/263359526.db2.gz WGRAIKOJJUJJGD-JTQLQIEISA-N 1 2 252.318 0.404 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ncccc1O ZINC000330625966 263999317 /nfs/dbraw/zinc/99/93/17/263999317.db2.gz UNIBFTVWDCQFJC-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ncccc1O ZINC000330625966 263999319 /nfs/dbraw/zinc/99/93/19/263999319.db2.gz UNIBFTVWDCQFJC-SNVBAGLBSA-N 1 2 265.313 0.813 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330756809 264030383 /nfs/dbraw/zinc/03/03/83/264030383.db2.gz HUTUSTWLCGRYNV-SECBINFHSA-N 1 2 288.373 0.247 20 30 CCEDLO Cc1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330756492 264030760 /nfs/dbraw/zinc/03/07/60/264030760.db2.gz KPAJFLJIPUIFIO-JTQLQIEISA-N 1 2 266.345 0.754 20 30 CCEDLO Cc1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330756492 264030762 /nfs/dbraw/zinc/03/07/62/264030762.db2.gz KPAJFLJIPUIFIO-JTQLQIEISA-N 1 2 266.345 0.754 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330763839 264031593 /nfs/dbraw/zinc/03/15/93/264031593.db2.gz PCZHEPOFKXFUKF-NSHDSACASA-N 1 2 296.371 0.193 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330763839 264031595 /nfs/dbraw/zinc/03/15/95/264031595.db2.gz PCZHEPOFKXFUKF-NSHDSACASA-N 1 2 296.371 0.193 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000330816235 264046690 /nfs/dbraw/zinc/04/66/90/264046690.db2.gz RCGCVSLEYNSASA-WDEREUQCSA-N 1 2 287.360 0.162 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000330816235 264046693 /nfs/dbraw/zinc/04/66/93/264046693.db2.gz RCGCVSLEYNSASA-WDEREUQCSA-N 1 2 287.360 0.162 20 30 CCEDLO C[C@](O)(CNC(=O)c1ncccc1O)C[NH+]1CCOCC1 ZINC000330877353 264060848 /nfs/dbraw/zinc/06/08/48/264060848.db2.gz KRBLIPNCIYESHZ-AWEZNQCLSA-N 1 2 295.339 0.175 20 30 CCEDLO C=C[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330907440 264074724 /nfs/dbraw/zinc/07/47/24/264074724.db2.gz CFHFZUIUTVYKFL-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000330894658 264077557 /nfs/dbraw/zinc/07/75/57/264077557.db2.gz MEXRWHKOKGETQW-VIFPVBQESA-N 1 2 294.359 0.143 20 30 CCEDLO CC(C)N(C[C@H](C)O)C(=O)NCc1[nH+]ccn1C ZINC000330942631 264084514 /nfs/dbraw/zinc/08/45/14/264084514.db2.gz CXXNTRHDVXJJBU-JTQLQIEISA-N 1 2 254.334 0.925 20 30 CCEDLO C[C@H](C[S@](C)=O)[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330964117 264089646 /nfs/dbraw/zinc/08/96/46/264089646.db2.gz KREWOGXHBCQCLV-HZNYWTHISA-N 1 2 298.412 0.716 20 30 CCEDLO C[C@H](C[S@](C)=O)NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000330964117 264089649 /nfs/dbraw/zinc/08/96/49/264089649.db2.gz KREWOGXHBCQCLV-HZNYWTHISA-N 1 2 298.412 0.716 20 30 CCEDLO C[C@H](C[S@](C)=O)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330964117 264089650 /nfs/dbraw/zinc/08/96/50/264089650.db2.gz KREWOGXHBCQCLV-HZNYWTHISA-N 1 2 298.412 0.716 20 30 CCEDLO CO[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000331105299 264124688 /nfs/dbraw/zinc/12/46/88/264124688.db2.gz IJEUWYXHJVASNQ-MBNYWOFBSA-N 1 2 283.372 0.386 20 30 CCEDLO CO[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000331105299 264124689 /nfs/dbraw/zinc/12/46/89/264124689.db2.gz IJEUWYXHJVASNQ-MBNYWOFBSA-N 1 2 283.372 0.386 20 30 CCEDLO CCOC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000331218363 264164840 /nfs/dbraw/zinc/16/48/40/264164840.db2.gz HMFMVPOHAUGCBO-LBPRGKRZSA-N 1 2 286.420 0.551 20 30 CCEDLO CCOC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000331218363 264164842 /nfs/dbraw/zinc/16/48/42/264164842.db2.gz HMFMVPOHAUGCBO-LBPRGKRZSA-N 1 2 286.420 0.551 20 30 CCEDLO COCCO[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000331218994 264165888 /nfs/dbraw/zinc/16/58/88/264165888.db2.gz HYKKMEQFBRIJIV-LLVKDONJSA-N 1 2 282.344 0.571 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000331276884 264170280 /nfs/dbraw/zinc/17/02/80/264170280.db2.gz YGVLESPORPBMFF-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000331276884 264170283 /nfs/dbraw/zinc/17/02/83/264170283.db2.gz YGVLESPORPBMFF-GARJFASQSA-N 1 2 287.360 0.161 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000331233897 264173899 /nfs/dbraw/zinc/17/38/99/264173899.db2.gz SDCGVQOERVNJKZ-GFCCVEGCSA-N 1 2 276.402 0.450 20 30 CCEDLO CC(C)c1nn(C)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000331252934 264181656 /nfs/dbraw/zinc/18/16/56/264181656.db2.gz UYRHCNFGCDBTLM-UHFFFAOYSA-N 1 2 295.387 0.699 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331327050 264190465 /nfs/dbraw/zinc/19/04/65/264190465.db2.gz PBLUBZMRAOKPOP-LLVKDONJSA-N 1 2 283.372 0.950 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331327050 264190467 /nfs/dbraw/zinc/19/04/67/264190467.db2.gz PBLUBZMRAOKPOP-LLVKDONJSA-N 1 2 283.372 0.950 20 30 CCEDLO C=CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000331360860 264209069 /nfs/dbraw/zinc/20/90/69/264209069.db2.gz YILRGIWSNBCIDA-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@@H+]1CCO ZINC000188784500 264242406 /nfs/dbraw/zinc/24/24/06/264242406.db2.gz GEHFTZUGSQMWSK-CYBMUJFWSA-N 1 2 279.384 0.985 20 30 CCEDLO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1CCO ZINC000188784500 264242407 /nfs/dbraw/zinc/24/24/07/264242407.db2.gz GEHFTZUGSQMWSK-CYBMUJFWSA-N 1 2 279.384 0.985 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284101630 264525015 /nfs/dbraw/zinc/52/50/15/264525015.db2.gz WEEVGWNJINHLDD-LBPRGKRZSA-N 1 2 278.356 0.812 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)CCC1 ZINC000525886422 265034980 /nfs/dbraw/zinc/03/49/80/265034980.db2.gz PUDPEADTVQHOEN-GFCCVEGCSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)CCC1 ZINC000525886422 265034979 /nfs/dbraw/zinc/03/49/79/265034979.db2.gz PUDPEADTVQHOEN-GFCCVEGCSA-N 1 2 263.341 0.660 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356735152 266166826 /nfs/dbraw/zinc/16/68/26/266166826.db2.gz DSSNUVBLAIHVEX-IJLUTSLNSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@@H](C(=O)N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC000356986563 266225859 /nfs/dbraw/zinc/22/58/59/266225859.db2.gz RDCRCOIQPDDNRP-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357504105 266310384 /nfs/dbraw/zinc/31/03/84/266310384.db2.gz UWLBRZXLZANVKF-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=CCCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357504105 266310381 /nfs/dbraw/zinc/31/03/81/266310381.db2.gz UWLBRZXLZANVKF-UHFFFAOYSA-N 1 2 255.362 0.525 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357676075 266344730 /nfs/dbraw/zinc/34/47/30/266344730.db2.gz OETGESCOLKLATH-GXTWGEPZSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357676075 266344731 /nfs/dbraw/zinc/34/47/31/266344731.db2.gz OETGESCOLKLATH-GXTWGEPZSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357676077 266345106 /nfs/dbraw/zinc/34/51/06/266345106.db2.gz OETGESCOLKLATH-OCCSQVGLSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357676077 266345110 /nfs/dbraw/zinc/34/51/10/266345110.db2.gz OETGESCOLKLATH-OCCSQVGLSA-N 1 2 282.384 0.683 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000357816197 266371495 /nfs/dbraw/zinc/37/14/95/266371495.db2.gz AMSDBPCARBWQJW-YPMHNXCESA-N 1 2 283.397 0.470 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370032476 267285264 /nfs/dbraw/zinc/28/52/64/267285264.db2.gz LHFAYUGTJSZWTO-CMPLNLGQSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370032476 267285266 /nfs/dbraw/zinc/28/52/66/267285266.db2.gz LHFAYUGTJSZWTO-CMPLNLGQSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370557755 267328488 /nfs/dbraw/zinc/32/84/88/267328488.db2.gz LUXLKTAKTVSEFS-QWHCGFSZSA-N 1 2 293.367 0.712 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370557755 267328491 /nfs/dbraw/zinc/32/84/91/267328491.db2.gz LUXLKTAKTVSEFS-QWHCGFSZSA-N 1 2 293.367 0.712 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000110656904 278179071 /nfs/dbraw/zinc/17/90/71/278179071.db2.gz HIMQMHGDQAKBSS-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000110656904 278179072 /nfs/dbraw/zinc/17/90/72/278179072.db2.gz HIMQMHGDQAKBSS-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC3(COC(=O)N3)CC2)c1=O ZINC000495070956 279536656 /nfs/dbraw/zinc/53/66/56/279536656.db2.gz ZXWXKCXNCNMXNX-UHFFFAOYSA-N 1 2 288.307 0.252 20 30 CCEDLO O=C1NC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000156561651 280291620 /nfs/dbraw/zinc/29/16/20/280291620.db2.gz MUBGIQBDAIHZIH-CQSZACIVSA-N 1 2 273.311 0.887 20 30 CCEDLO O=C1NC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000156561651 280291623 /nfs/dbraw/zinc/29/16/23/280291623.db2.gz MUBGIQBDAIHZIH-CQSZACIVSA-N 1 2 273.311 0.887 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329747358 295384700 /nfs/dbraw/zinc/38/47/00/295384700.db2.gz SIEFKKFDUSXATJ-OXIWPEFWSA-N 1 2 290.367 0.884 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329747358 295384703 /nfs/dbraw/zinc/38/47/03/295384703.db2.gz SIEFKKFDUSXATJ-OXIWPEFWSA-N 1 2 290.367 0.884 20 30 CCEDLO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)nnn1C(C)C ZINC000330255448 533699343 /nfs/dbraw/zinc/69/93/43/533699343.db2.gz PQYQMIJZCMDPNG-NSHDSACASA-N 1 2 281.360 0.803 20 30 CCEDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)nnn1C(C)C ZINC000330255448 533699351 /nfs/dbraw/zinc/69/93/51/533699351.db2.gz PQYQMIJZCMDPNG-NSHDSACASA-N 1 2 281.360 0.803 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000563505930 328070573 /nfs/dbraw/zinc/07/05/73/328070573.db2.gz ITVSHFUGGCIBLZ-RQJABVFESA-N 1 2 282.384 0.803 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000273578557 328205410 /nfs/dbraw/zinc/20/54/10/328205410.db2.gz NMWAXHSPEGKEDS-UHFFFAOYSA-N 1 2 270.358 0.761 20 30 CCEDLO CO[C@H](C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183356780 329247263 /nfs/dbraw/zinc/24/72/63/329247263.db2.gz UQCVYPSDJKNBKJ-CQSZACIVSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CCCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000534571210 328308861 /nfs/dbraw/zinc/30/88/61/328308861.db2.gz FCZUKNWPOUYGNV-UHFFFAOYSA-N 1 2 287.323 0.985 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000121445839 328375308 /nfs/dbraw/zinc/37/53/08/328375308.db2.gz VXKXWBOFGMIMIK-UHFFFAOYSA-N 1 2 283.353 0.390 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000121445839 328375310 /nfs/dbraw/zinc/37/53/10/328375310.db2.gz VXKXWBOFGMIMIK-UHFFFAOYSA-N 1 2 283.353 0.390 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000330664094 328465971 /nfs/dbraw/zinc/46/59/71/328465971.db2.gz UJCTZWKXOMRBCF-CYBMUJFWSA-N 1 2 291.399 0.228 20 30 CCEDLO CC(C)[C@H](C(=O)NCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000407962984 326850796 /nfs/dbraw/zinc/85/07/96/326850796.db2.gz FIFXPWZIDSORRV-IJLUTSLNSA-N 1 2 253.346 0.760 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558627528 327111001 /nfs/dbraw/zinc/11/10/01/327111001.db2.gz AMBIAJIVMMOJNY-LLVKDONJSA-N 1 2 258.325 0.813 20 30 CCEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000559794984 327262643 /nfs/dbraw/zinc/26/26/43/327262643.db2.gz SVARSGNJVXEWDW-ARFHVFGLSA-N 1 2 287.363 0.629 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](CC)CC#N ZINC000569617973 327324026 /nfs/dbraw/zinc/32/40/26/327324026.db2.gz AILAOWLVZGDFBA-LLVKDONJSA-N 1 2 268.361 0.253 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000368199817 328937094 /nfs/dbraw/zinc/93/70/94/328937094.db2.gz BHEFIEYSENRXSZ-GFCCVEGCSA-N 1 2 288.355 0.302 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377763754 329028420 /nfs/dbraw/zinc/02/84/20/329028420.db2.gz WSCIEHMMZIVYRE-LLVKDONJSA-N 1 2 297.384 0.425 20 30 CCEDLO CC(C)NC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515468 330212332 /nfs/dbraw/zinc/21/23/32/330212332.db2.gz SRQCTOMEDJLLCR-UHFFFAOYSA-N 1 2 296.415 0.449 20 30 CCEDLO CC(C)NC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081515468 330212333 /nfs/dbraw/zinc/21/23/33/330212333.db2.gz SRQCTOMEDJLLCR-UHFFFAOYSA-N 1 2 296.415 0.449 20 30 CCEDLO CC(C)NC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081515468 330212334 /nfs/dbraw/zinc/21/23/34/330212334.db2.gz SRQCTOMEDJLLCR-UHFFFAOYSA-N 1 2 296.415 0.449 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000424067706 330219474 /nfs/dbraw/zinc/21/94/74/330219474.db2.gz WYUBZFZKSHKUQY-LLVKDONJSA-N 1 2 289.343 0.549 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009070 330389979 /nfs/dbraw/zinc/38/99/79/330389979.db2.gz JFZFYKSQRNVLGI-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009070 330389980 /nfs/dbraw/zinc/38/99/80/330389980.db2.gz JFZFYKSQRNVLGI-CYBMUJFWSA-N 1 2 265.357 0.859 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451123875 331016488 /nfs/dbraw/zinc/01/64/88/331016488.db2.gz CBEKDXBVISBFFY-AWEZNQCLSA-N 1 2 265.357 0.904 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451123875 331016489 /nfs/dbraw/zinc/01/64/89/331016489.db2.gz CBEKDXBVISBFFY-AWEZNQCLSA-N 1 2 265.357 0.904 20 30 CCEDLO C=CCNC(=O)[C@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319530 331169673 /nfs/dbraw/zinc/16/96/73/331169673.db2.gz FXWXQTJDKRDXOM-MJBXVCDLSA-N 1 2 283.416 0.718 20 30 CCEDLO C=CCNC(=O)[C@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319530 331169674 /nfs/dbraw/zinc/16/96/74/331169674.db2.gz FXWXQTJDKRDXOM-MJBXVCDLSA-N 1 2 283.416 0.718 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC(C)(C)CC#N ZINC000459262189 331273887 /nfs/dbraw/zinc/27/38/87/331273887.db2.gz UIEBFGSQGXYKRA-UHFFFAOYSA-N 1 2 282.388 0.900 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000459817286 331302068 /nfs/dbraw/zinc/30/20/68/331302068.db2.gz PDQKUNIWXJOCSN-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO C#CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000490627322 332096708 /nfs/dbraw/zinc/09/67/08/332096708.db2.gz BMXFQFKALISXDK-ZDUSSCGKSA-N 1 2 264.373 0.041 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000490838528 332119036 /nfs/dbraw/zinc/11/90/36/332119036.db2.gz CFYHWRHOHWVWDV-NEPJUHHUSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000490838528 332119037 /nfs/dbraw/zinc/11/90/37/332119037.db2.gz CFYHWRHOHWVWDV-NEPJUHHUSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CCN(Cc1[nH+]ccn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490839814 332119469 /nfs/dbraw/zinc/11/94/69/332119469.db2.gz KMZKTSCEJIHBDY-LLVKDONJSA-N 1 2 267.354 0.042 20 30 CCEDLO C#CC[N@H+](CC#CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000490877131 332124412 /nfs/dbraw/zinc/12/44/12/332124412.db2.gz WSOOEWPTUXZGBL-UHFFFAOYSA-N 1 2 273.292 0.715 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000490877131 332124414 /nfs/dbraw/zinc/12/44/14/332124414.db2.gz WSOOEWPTUXZGBL-UHFFFAOYSA-N 1 2 273.292 0.715 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000491066286 332144061 /nfs/dbraw/zinc/14/40/61/332144061.db2.gz BRLUMXCGBFGUQY-LLVKDONJSA-N 1 2 284.381 0.106 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000491066286 332144062 /nfs/dbraw/zinc/14/40/62/332144062.db2.gz BRLUMXCGBFGUQY-LLVKDONJSA-N 1 2 284.381 0.106 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@H]2C(F)F)CC1 ZINC000491104428 332150335 /nfs/dbraw/zinc/15/03/35/332150335.db2.gz SMPJSZGEYYWMHY-ZDUSSCGKSA-N 1 2 299.365 0.883 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)c(C)nn2C)CC1 ZINC000491308646 332187333 /nfs/dbraw/zinc/18/73/33/332187333.db2.gz VQFLSRQMPNWXET-UHFFFAOYSA-N 1 2 290.367 0.193 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491507807 332225851 /nfs/dbraw/zinc/22/58/51/332225851.db2.gz XERIULYXBMMYHW-HZSPNIEDSA-N 1 2 295.383 0.139 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C1CC1 ZINC000491515388 332227121 /nfs/dbraw/zinc/22/71/21/332227121.db2.gz NJRHFJUXZCFSBJ-UHFFFAOYSA-N 1 2 265.357 0.115 20 30 CCEDLO C#CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C1CC1 ZINC000491515388 332227123 /nfs/dbraw/zinc/22/71/23/332227123.db2.gz NJRHFJUXZCFSBJ-UHFFFAOYSA-N 1 2 265.357 0.115 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491616649 332243716 /nfs/dbraw/zinc/24/37/16/332243716.db2.gz ACMJDFJGTQVBHB-UHFFFAOYSA-N 1 2 267.373 0.315 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N(CC)CC(=O)NC(C)C ZINC000491616649 332243717 /nfs/dbraw/zinc/24/37/17/332243717.db2.gz ACMJDFJGTQVBHB-UHFFFAOYSA-N 1 2 267.373 0.315 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000491705895 332299023 /nfs/dbraw/zinc/29/90/23/332299023.db2.gz MJQSJASLCNUGAX-GHMZBOCLSA-N 1 2 259.309 0.690 20 30 CCEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000491715883 332305965 /nfs/dbraw/zinc/30/59/65/332305965.db2.gz RBJWQJZTIYFBTK-SNVBAGLBSA-N 1 2 264.329 0.412 20 30 CCEDLO C#C[C@@H]1COCCN1CCCC[N@@H+]1CCOC[C@H]1C#C ZINC000491732790 332313831 /nfs/dbraw/zinc/31/38/31/332313831.db2.gz QUVFBCIYKSGWGO-HZPDHXFCSA-N 1 2 276.380 0.435 20 30 CCEDLO C#C[C@@H]1COCCN1CCCC[N@H+]1CCOC[C@H]1C#C ZINC000491732790 332313832 /nfs/dbraw/zinc/31/38/32/332313832.db2.gz QUVFBCIYKSGWGO-HZPDHXFCSA-N 1 2 276.380 0.435 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000491748307 332325558 /nfs/dbraw/zinc/32/55/58/332325558.db2.gz RAORAFNYBNNSRR-INIZCTEOSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000491748307 332325559 /nfs/dbraw/zinc/32/55/59/332325559.db2.gz RAORAFNYBNNSRR-INIZCTEOSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000491810718 332363247 /nfs/dbraw/zinc/36/32/47/332363247.db2.gz AHXKEXGZQWRWOB-GWCFXTLKSA-N 1 2 252.289 0.571 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000491810718 332363248 /nfs/dbraw/zinc/36/32/48/332363248.db2.gz AHXKEXGZQWRWOB-GWCFXTLKSA-N 1 2 252.289 0.571 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251941324 334372312 /nfs/dbraw/zinc/37/23/12/334372312.db2.gz UQPWIMGNZZHGFP-KGLIPLIRSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251941324 334372314 /nfs/dbraw/zinc/37/23/14/334372314.db2.gz UQPWIMGNZZHGFP-KGLIPLIRSA-N 1 2 282.384 0.923 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000252352717 334378651 /nfs/dbraw/zinc/37/86/51/334378651.db2.gz MIURHEOMJZVWNW-XQQFMLRXSA-N 1 2 296.371 0.030 20 30 CCEDLO N#CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000554776644 334451941 /nfs/dbraw/zinc/45/19/41/334451941.db2.gz UQSRWBGFQDANPU-UHFFFAOYSA-N 1 2 256.269 0.696 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000566746239 334662905 /nfs/dbraw/zinc/66/29/05/334662905.db2.gz XSWGPUDLRXPWQA-UHFFFAOYSA-N 1 2 298.346 0.995 20 30 CCEDLO COC1(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCC1 ZINC000577518245 335364015 /nfs/dbraw/zinc/36/40/15/335364015.db2.gz CAABIMPBGGUCCY-LBPRGKRZSA-N 1 2 253.346 0.906 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCC1(C#N)CC1 ZINC000578299590 335596469 /nfs/dbraw/zinc/59/64/69/335596469.db2.gz ZOSXWIDTOXQANZ-UHFFFAOYSA-N 1 2 274.280 0.449 20 30 CCEDLO N#CCC(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000580902871 335982429 /nfs/dbraw/zinc/98/24/29/335982429.db2.gz NYUAJMFPUMXOGM-UHFFFAOYSA-N 1 2 271.324 0.916 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC(=O)N1 ZINC000581767691 336144650 /nfs/dbraw/zinc/14/46/50/336144650.db2.gz OLEHIQNSGKBTSI-SECBINFHSA-N 1 2 292.364 0.769 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CC(=O)N1 ZINC000581767691 336144652 /nfs/dbraw/zinc/14/46/52/336144652.db2.gz OLEHIQNSGKBTSI-SECBINFHSA-N 1 2 292.364 0.769 20 30 CCEDLO N#CC1(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330232140 534564599 /nfs/dbraw/zinc/56/45/99/534564599.db2.gz XFTDUANKCOAFQB-JTQLQIEISA-N 1 2 280.353 0.421 20 30 CCEDLO N#CCC1(O)C[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000354976832 534592851 /nfs/dbraw/zinc/59/28/51/534592851.db2.gz GXERBFZCWUZOFJ-UHFFFAOYSA-N 1 2 269.308 0.728 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000155753663 522251430 /nfs/dbraw/zinc/25/14/30/522251430.db2.gz GSVPFRAZISTSKI-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000155753663 522251434 /nfs/dbraw/zinc/25/14/34/522251434.db2.gz GSVPFRAZISTSKI-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO Cc1[nH]c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2[nH+]1 ZINC000425951540 534658582 /nfs/dbraw/zinc/65/85/82/534658582.db2.gz DGYIHUBGARZVAL-UHFFFAOYSA-N 1 2 281.279 0.973 20 30 CCEDLO N#Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccn1 ZINC000358170377 534771824 /nfs/dbraw/zinc/77/18/24/534771824.db2.gz RDOFEPGXWBSVLQ-UHFFFAOYSA-N 1 2 253.265 0.806 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CC)C[C@H]2C)C1=O ZINC000352698121 526480913 /nfs/dbraw/zinc/48/09/13/526480913.db2.gz LWRSUZISHVSAJR-CHWSQXEVSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CC)C[C@H]2C)C1=O ZINC000352698121 526480919 /nfs/dbraw/zinc/48/09/19/526480919.db2.gz LWRSUZISHVSAJR-CHWSQXEVSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334613496 526586233 /nfs/dbraw/zinc/58/62/33/526586233.db2.gz PFCFSRWLJROKNN-NEPJUHHUSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000113943123 526592036 /nfs/dbraw/zinc/59/20/36/526592036.db2.gz KUAICSUBYBWRNF-GFCCVEGCSA-N 1 2 283.372 0.745 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000113943123 526592039 /nfs/dbraw/zinc/59/20/39/526592039.db2.gz KUAICSUBYBWRNF-GFCCVEGCSA-N 1 2 283.372 0.745 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000354492144 526641591 /nfs/dbraw/zinc/64/15/91/526641591.db2.gz DNHRTQHHUDQYHZ-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000354492144 526641594 /nfs/dbraw/zinc/64/15/94/526641594.db2.gz DNHRTQHHUDQYHZ-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000666429068 545122719 /nfs/dbraw/zinc/12/27/19/545122719.db2.gz FSVSVVKCIZVQJQ-OCCSQVGLSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354887333 527073552 /nfs/dbraw/zinc/07/35/52/527073552.db2.gz BSAQOXCMKSEXCF-GFCCVEGCSA-N 1 2 268.357 0.954 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354887333 527073563 /nfs/dbraw/zinc/07/35/63/527073563.db2.gz BSAQOXCMKSEXCF-GFCCVEGCSA-N 1 2 268.357 0.954 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000344785302 527373713 /nfs/dbraw/zinc/37/37/13/527373713.db2.gz JUBMZSXTJVQOKM-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352555561 527476673 /nfs/dbraw/zinc/47/66/73/527476673.db2.gz OMXJRFSRIJKZPE-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352555561 527476681 /nfs/dbraw/zinc/47/66/81/527476681.db2.gz OMXJRFSRIJKZPE-UHFFFAOYSA-N 1 2 282.388 0.946 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000193972546 527610151 /nfs/dbraw/zinc/61/01/51/527610151.db2.gz GHKNSGALKDIPTO-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000193972546 527610154 /nfs/dbraw/zinc/61/01/54/527610154.db2.gz GHKNSGALKDIPTO-GFCCVEGCSA-N 1 2 265.357 0.397 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000668536637 545180843 /nfs/dbraw/zinc/18/08/43/545180843.db2.gz WIHFYZXULBYWHY-NSHDSACASA-N 1 2 264.329 0.539 20 30 CCEDLO CCOCCOC[C@@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425258267 528803620 /nfs/dbraw/zinc/80/36/20/528803620.db2.gz JZPARWSPYTWUIO-ZDUSSCGKSA-N 1 2 279.340 0.510 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329971409 529131128 /nfs/dbraw/zinc/13/11/28/529131128.db2.gz VOCASXJRZRPKGH-GDNZZTSVSA-N 1 2 283.372 0.246 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329971409 529131131 /nfs/dbraw/zinc/13/11/31/529131131.db2.gz VOCASXJRZRPKGH-GDNZZTSVSA-N 1 2 283.372 0.246 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341159 545342071 /nfs/dbraw/zinc/34/20/71/545342071.db2.gz PBIOGJRJXZTIES-LBPRGKRZSA-N 1 2 254.330 0.122 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977512 545355764 /nfs/dbraw/zinc/35/57/64/545355764.db2.gz OXTDWXLMROFQMQ-ZJUUUORDSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977512 545355765 /nfs/dbraw/zinc/35/57/65/545355765.db2.gz OXTDWXLMROFQMQ-ZJUUUORDSA-N 1 2 252.318 0.627 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000677816835 545373202 /nfs/dbraw/zinc/37/32/02/545373202.db2.gz CYSDRMLRIBECGU-UHFFFAOYSA-N 1 2 293.411 0.266 20 30 CCEDLO COCC#CC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000677816835 545373203 /nfs/dbraw/zinc/37/32/03/545373203.db2.gz CYSDRMLRIBECGU-UHFFFAOYSA-N 1 2 293.411 0.266 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000679491076 545410477 /nfs/dbraw/zinc/41/04/77/545410477.db2.gz ZIMKZKPLPAHOGP-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000679491076 545410478 /nfs/dbraw/zinc/41/04/78/545410478.db2.gz ZIMKZKPLPAHOGP-UHFFFAOYSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681660092 545459024 /nfs/dbraw/zinc/45/90/24/545459024.db2.gz ZXYPJLHAARKBSM-LLVKDONJSA-N 1 2 264.329 0.700 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682522100 545482195 /nfs/dbraw/zinc/48/21/95/545482195.db2.gz JEWRDTGOECJFNV-VXGBXAGGSA-N 1 2 263.341 0.746 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685560713 545832415 /nfs/dbraw/zinc/83/24/15/545832415.db2.gz OQOQNIOKSQKJDT-UHFFFAOYSA-N 1 2 292.383 0.711 20 30 CCEDLO C=CCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000790708404 581193808 /nfs/dbraw/zinc/19/38/08/581193808.db2.gz VXDXMEUQUVURAT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000790708404 581193809 /nfs/dbraw/zinc/19/38/09/581193809.db2.gz VXDXMEUQUVURAT-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO N#CCc1ccccc1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000776984724 581103500 /nfs/dbraw/zinc/10/35/00/581103500.db2.gz VQQNQIJIUAXMLZ-INIZCTEOSA-N 1 2 298.390 0.411 20 30 CCEDLO CC1(C)CCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000788951853 581129032 /nfs/dbraw/zinc/12/90/32/581129032.db2.gz OEAQLOBNIVNOPL-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CCSCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000789038037 581132117 /nfs/dbraw/zinc/13/21/17/581132117.db2.gz MZSLTNRJHHXVIQ-CYBMUJFWSA-N 1 2 299.440 0.715 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000778236531 581147016 /nfs/dbraw/zinc/14/70/16/581147016.db2.gz MMYXQVCSULTXEN-KGLIPLIRSA-N 1 2 281.375 0.444 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000778236531 581147019 /nfs/dbraw/zinc/14/70/19/581147019.db2.gz MMYXQVCSULTXEN-KGLIPLIRSA-N 1 2 281.375 0.444 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000779915415 581212977 /nfs/dbraw/zinc/21/29/77/581212977.db2.gz ROQHQSHSDPCSRW-LBPRGKRZSA-N 1 2 288.351 0.305 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091089 581219862 /nfs/dbraw/zinc/21/98/62/581219862.db2.gz FRQSGFIZTITHFO-GXTWGEPZSA-N 1 2 288.347 0.970 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000780674775 581239641 /nfs/dbraw/zinc/23/96/41/581239641.db2.gz HBUFQSYQSIMWEL-HNNXBMFYSA-N 1 2 296.411 0.722 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC000781154138 581260045 /nfs/dbraw/zinc/26/00/45/581260045.db2.gz IFIWTEFTBUPFAS-CQSZACIVSA-N 1 2 250.342 0.581 20 30 CCEDLO CC1(C)NC(=O)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000793035549 581281252 /nfs/dbraw/zinc/28/12/52/581281252.db2.gz XTZGZHQJHHEGKO-UWVGGRQHSA-N 1 2 277.372 0.891 20 30 CCEDLO CC[C@H](N[NH+]=Cc1c[nH+]ccc1N(C)C)C(=O)[O-] ZINC000793055263 581283257 /nfs/dbraw/zinc/28/32/57/581283257.db2.gz KVVRUIQMZFQJNY-JTQLQIEISA-N 1 2 250.302 0.934 20 30 CCEDLO COCCS(=O)(=O)CCC[NH+]1CCC(C#N)CC1 ZINC000727829495 581334346 /nfs/dbraw/zinc/33/43/46/581334346.db2.gz CLXSDFDPPLDFDM-UHFFFAOYSA-N 1 2 274.386 0.673 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@](C)(C=C)CCOC)CC1 ZINC000783625048 581353558 /nfs/dbraw/zinc/35/35/58/581353558.db2.gz KCFLYUBGEVLILD-OAHLLOKOSA-N 1 2 264.369 0.993 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000794746758 581386889 /nfs/dbraw/zinc/38/68/89/581386889.db2.gz YNJDVYKNDUYFFJ-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000794746758 581386891 /nfs/dbraw/zinc/38/68/91/581386891.db2.gz YNJDVYKNDUYFFJ-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(C#N)ncn3)CC2)S1 ZINC000784595864 581390252 /nfs/dbraw/zinc/39/02/52/581390252.db2.gz CUYPTGOHWQNSRE-SNVBAGLBSA-N 1 2 288.380 0.962 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)COC)CC1 ZINC000795513119 581410354 /nfs/dbraw/zinc/41/03/54/581410354.db2.gz ZGXNLZPULPRZLP-UHFFFAOYSA-N 1 2 253.298 0.090 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c1=S ZINC000797417337 581466045 /nfs/dbraw/zinc/46/60/45/581466045.db2.gz QXOYRISNIDOSEP-LBPRGKRZSA-N 1 2 296.400 0.411 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1=S ZINC000797417337 581466047 /nfs/dbraw/zinc/46/60/47/581466047.db2.gz QXOYRISNIDOSEP-LBPRGKRZSA-N 1 2 296.400 0.411 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000728864265 581514305 /nfs/dbraw/zinc/51/43/05/581514305.db2.gz DMHJWRMNRGMNTH-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)nc1 ZINC000728864265 581514310 /nfs/dbraw/zinc/51/43/10/581514310.db2.gz DMHJWRMNRGMNTH-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#CCOCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000753378230 581537639 /nfs/dbraw/zinc/53/76/39/581537639.db2.gz FPRUBJJUSFZACB-UHFFFAOYSA-N 1 2 250.302 0.211 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC000765981302 581544068 /nfs/dbraw/zinc/54/40/68/581544068.db2.gz FGLDQPLOMYPNDA-UHFFFAOYSA-N 1 2 269.308 0.120 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000754004018 581570044 /nfs/dbraw/zinc/57/00/44/581570044.db2.gz UIWIJHJEVNJCPO-UHFFFAOYSA-N 1 2 258.321 0.973 20 30 CCEDLO C#CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000754027023 581571579 /nfs/dbraw/zinc/57/15/79/581571579.db2.gz COVXXFFBPDAMFP-HNNXBMFYSA-N 1 2 272.348 0.679 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000767918649 581636266 /nfs/dbraw/zinc/63/62/66/581636266.db2.gz NOSMXMQTSBFYDK-LBPRGKRZSA-N 1 2 292.301 0.761 20 30 CCEDLO CSCCNC(=S)NN=Cc1c[nH+]cn1C ZINC000769605102 581697686 /nfs/dbraw/zinc/69/76/86/581697686.db2.gz OBXWPXXGFRDHRP-UHFFFAOYSA-N 1 2 257.388 0.581 20 30 CCEDLO Cc1ccn(C[N@H+](C)CCc2cnccn2)c(=O)c1C#N ZINC000758247420 581732185 /nfs/dbraw/zinc/73/21/85/581732185.db2.gz HLXJUODUBPDRBQ-UHFFFAOYSA-N 1 2 283.335 0.950 20 30 CCEDLO Cc1ccn(C[N@@H+](C)CCc2cnccn2)c(=O)c1C#N ZINC000758247420 581732188 /nfs/dbraw/zinc/73/21/88/581732188.db2.gz HLXJUODUBPDRBQ-UHFFFAOYSA-N 1 2 283.335 0.950 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)OCCC)CC1 ZINC000741775696 581762136 /nfs/dbraw/zinc/76/21/36/581762136.db2.gz XNQXIUZUMFRJFX-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C#CCNC(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732359041 581821414 /nfs/dbraw/zinc/82/14/14/581821414.db2.gz QGQABWKSAMQQFU-UHFFFAOYSA-N 1 2 285.303 0.478 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000760084207 581841634 /nfs/dbraw/zinc/84/16/34/581841634.db2.gz DWNQYZDHAGDKNI-ZDUSSCGKSA-N 1 2 291.395 0.601 20 30 CCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NCCC#N ZINC000745091247 581864999 /nfs/dbraw/zinc/86/49/99/581864999.db2.gz WHBLNYBUDDXCRJ-NSHDSACASA-N 1 2 267.329 0.434 20 30 CCEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NCCC#N ZINC000745091247 581865000 /nfs/dbraw/zinc/86/50/00/581865000.db2.gz WHBLNYBUDDXCRJ-NSHDSACASA-N 1 2 267.329 0.434 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cn2cc[nH+]c2)nc1 ZINC000746120907 581894846 /nfs/dbraw/zinc/89/48/46/581894846.db2.gz QLRSXPKKXFSYCH-UHFFFAOYSA-N 1 2 270.296 0.378 20 30 CCEDLO CC(N=Nc1ccccc1S(N)(=O)=O)c1[nH]cc[nH+]1 ZINC000773124580 581909820 /nfs/dbraw/zinc/90/98/20/581909820.db2.gz ZRHWTNTZVSJYPP-UHFFFAOYSA-N 1 2 279.325 0.893 20 30 CCEDLO C=C(C)CNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746546104 581918198 /nfs/dbraw/zinc/91/81/98/581918198.db2.gz ZDYQQCDPPZFESJ-NSHDSACASA-N 1 2 254.403 0.026 20 30 CCEDLO C=C(C)COCCNC(=S)NCC[NH+]1CCOCC1 ZINC000761827063 581921284 /nfs/dbraw/zinc/92/12/84/581921284.db2.gz FWFWUUYEWDIBFT-UHFFFAOYSA-N 1 2 287.429 0.375 20 30 CCEDLO CC[N@H+](CC(=O)NC)CC(=O)NCc1cccc(C#N)c1 ZINC000746650262 581921452 /nfs/dbraw/zinc/92/14/52/581921452.db2.gz AQTPVQRTIHEUEY-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC[N@@H+](CC(=O)NC)CC(=O)NCc1cccc(C#N)c1 ZINC000746650262 581921455 /nfs/dbraw/zinc/92/14/55/581921455.db2.gz AQTPVQRTIHEUEY-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000762215093 581936083 /nfs/dbraw/zinc/93/60/83/581936083.db2.gz IHIIUSXDGWTTDU-UHFFFAOYSA-N 1 2 274.280 0.381 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000763017312 581977449 /nfs/dbraw/zinc/97/74/49/581977449.db2.gz HWLMKFJJDMZRIM-VXGBXAGGSA-N 1 2 289.383 0.793 20 30 CCEDLO Cn1cc[nH+]c1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000774529119 581978791 /nfs/dbraw/zinc/97/87/91/581978791.db2.gz OFFLBDJWTNFJLI-UHFFFAOYSA-N 1 2 291.336 0.551 20 30 CCEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NCCC#N ZINC000749542889 582011919 /nfs/dbraw/zinc/01/19/19/582011919.db2.gz IFLHTYMAIBGGHX-LBPRGKRZSA-N 1 2 275.356 0.759 20 30 CCEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCCC#N ZINC000749542889 582011921 /nfs/dbraw/zinc/01/19/21/582011921.db2.gz IFLHTYMAIBGGHX-LBPRGKRZSA-N 1 2 275.356 0.759 20 30 CCEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NCCC#N ZINC000749542773 582012103 /nfs/dbraw/zinc/01/21/03/582012103.db2.gz IFLHTYMAIBGGHX-GFCCVEGCSA-N 1 2 275.356 0.759 20 30 CCEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NCCC#N ZINC000749542773 582012106 /nfs/dbraw/zinc/01/21/06/582012106.db2.gz IFLHTYMAIBGGHX-GFCCVEGCSA-N 1 2 275.356 0.759 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC000775324906 582017939 /nfs/dbraw/zinc/01/79/39/582017939.db2.gz ASSWHNGVWOUQJK-FPMFFAJLSA-N 1 2 273.336 0.743 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn2cccnc2n1)[C@H]1CCCO1 ZINC000775784542 582037467 /nfs/dbraw/zinc/03/74/67/582037467.db2.gz JWXJEOJIGOJLBE-CHWSQXEVSA-N 1 2 256.309 1.000 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn2cccnc2n1)[C@@H]1CCCO1 ZINC000775784543 582037603 /nfs/dbraw/zinc/03/76/03/582037603.db2.gz JWXJEOJIGOJLBE-OLZOCXBDSA-N 1 2 256.309 1.000 20 30 CCEDLO C#C[C@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCCO1 ZINC000775806469 582040845 /nfs/dbraw/zinc/04/08/45/582040845.db2.gz LPAMVZKWUMZKBV-DTWKUNHWSA-N 1 2 266.326 0.247 20 30 CCEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1CCCO1 ZINC000776235930 582064142 /nfs/dbraw/zinc/06/41/42/582064142.db2.gz UUEGVURGZKDMKP-RYUDHWBXSA-N 1 2 276.340 0.742 20 30 CCEDLO C#CCSCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764784124 582068587 /nfs/dbraw/zinc/06/85/87/582068587.db2.gz OMRCLSXJADEYQB-UHFFFAOYSA-N 1 2 297.424 0.517 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000776604512 582084557 /nfs/dbraw/zinc/08/45/57/582084557.db2.gz WJIFIEGSKMKXPY-UHFFFAOYSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000776604512 582084559 /nfs/dbraw/zinc/08/45/59/582084559.db2.gz WJIFIEGSKMKXPY-UHFFFAOYSA-N 1 2 277.368 0.069 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086312 582100432 /nfs/dbraw/zinc/10/04/32/582100432.db2.gz DLHZBOOHXYNKSA-ZWNOBZJWSA-N 1 2 285.319 0.334 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086312 582100433 /nfs/dbraw/zinc/10/04/33/582100433.db2.gz DLHZBOOHXYNKSA-ZWNOBZJWSA-N 1 2 285.319 0.334 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)[C@@H](CC)CN1C(C)=O ZINC000752095130 582100964 /nfs/dbraw/zinc/10/09/64/582100964.db2.gz UBYMMRRQZRWYKO-UONOGXRCSA-N 1 2 294.399 0.738 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)[C@@H](CC)CN1C(C)=O ZINC000752095130 582100965 /nfs/dbraw/zinc/10/09/65/582100965.db2.gz UBYMMRRQZRWYKO-UONOGXRCSA-N 1 2 294.399 0.738 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000853621041 612989678 /nfs/dbraw/zinc/98/96/78/612989678.db2.gz NTBVZMQIAWIGIX-UHFFFAOYSA-N 1 2 273.336 0.958 20 30 CCEDLO C#CCC[N@H+](CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000853621041 612989680 /nfs/dbraw/zinc/98/96/80/612989680.db2.gz NTBVZMQIAWIGIX-UHFFFAOYSA-N 1 2 273.336 0.958 20 30 CCEDLO C#CCOCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893143958 612989817 /nfs/dbraw/zinc/98/98/17/612989817.db2.gz NKWVGTMNSRIDGX-NSHDSACASA-N 1 2 264.329 0.721 20 30 CCEDLO C#CCOCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893143958 612989819 /nfs/dbraw/zinc/98/98/19/612989819.db2.gz NKWVGTMNSRIDGX-NSHDSACASA-N 1 2 264.329 0.721 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892077063 617177689 /nfs/dbraw/zinc/17/76/89/617177689.db2.gz MEMOBDBCRHVTOZ-SNVBAGLBSA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892077063 617177692 /nfs/dbraw/zinc/17/76/92/617177692.db2.gz MEMOBDBCRHVTOZ-SNVBAGLBSA-N 1 2 285.394 0.743 20 30 CCEDLO N#CCNC1CC2(C1)CC(NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000965281216 649930759 /nfs/dbraw/zinc/93/07/59/649930759.db2.gz MWBMTGGYGRTYAS-UHFFFAOYSA-N 1 2 273.340 0.493 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000858088453 613034779 /nfs/dbraw/zinc/03/47/79/613034779.db2.gz FIIOIVOQUSCZNA-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000863801850 613037050 /nfs/dbraw/zinc/03/70/50/613037050.db2.gz GKQXZBMJFOXQPS-NEPJUHHUSA-N 1 2 261.325 0.600 20 30 CCEDLO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)on1 ZINC000971211963 617184668 /nfs/dbraw/zinc/18/46/68/617184668.db2.gz VTLMALYDBURCMU-QWRGUYRKSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)on1 ZINC000971211963 617184669 /nfs/dbraw/zinc/18/46/69/617184669.db2.gz VTLMALYDBURCMU-QWRGUYRKSA-N 1 2 292.339 0.876 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000848220772 613040945 /nfs/dbraw/zinc/04/09/45/613040945.db2.gz MOOWUSRMQZCMRE-MWLCHTKSSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000848220772 613040947 /nfs/dbraw/zinc/04/09/47/613040947.db2.gz MOOWUSRMQZCMRE-MWLCHTKSSA-N 1 2 263.297 0.269 20 30 CCEDLO C#CC[NH+](CC#C)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823846034 613099150 /nfs/dbraw/zinc/09/91/50/613099150.db2.gz XYOWZUGDUXEYIJ-UHFFFAOYSA-N 1 2 252.281 0.330 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000878454113 613100000 /nfs/dbraw/zinc/10/00/00/613100000.db2.gz SQZLSNKITRXLRJ-MNOVXSKESA-N 1 2 264.285 0.599 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)no1)[C@@H]1CCCO1 ZINC000877413985 613099591 /nfs/dbraw/zinc/09/95/91/613099591.db2.gz UJOACCUEYQMGJR-PWSUYJOCSA-N 1 2 264.281 0.732 20 30 CCEDLO C#CC[N@@H+](C[C@@H](OC)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839171 613107925 /nfs/dbraw/zinc/10/79/25/613107925.db2.gz HJGPMRGZBXBNNJ-ZIAGYGMSSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@H](OC)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839171 613107927 /nfs/dbraw/zinc/10/79/27/613107927.db2.gz HJGPMRGZBXBNNJ-ZIAGYGMSSA-N 1 2 285.409 0.924 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866154 617295955 /nfs/dbraw/zinc/29/59/55/617295955.db2.gz LDRGAVALPANJGU-BLLLJJGKSA-N 1 2 287.363 0.984 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866154 617295957 /nfs/dbraw/zinc/29/59/57/617295957.db2.gz LDRGAVALPANJGU-BLLLJJGKSA-N 1 2 287.363 0.984 20 30 CCEDLO C[C@@H](C#N)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923776169 617297169 /nfs/dbraw/zinc/29/71/69/617297169.db2.gz XNNHRFOEAJSMJI-TUAOUCFPSA-N 1 2 268.313 0.321 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncc(OC)n2)C1 ZINC000952407190 612992763 /nfs/dbraw/zinc/99/27/63/612992763.db2.gz RAUGTPYJQLDZRT-UHFFFAOYSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnnn2CC)C1 ZINC000950034069 612993097 /nfs/dbraw/zinc/99/30/97/612993097.db2.gz BNTBOZOYMMCOOW-UHFFFAOYSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862534690 613005648 /nfs/dbraw/zinc/00/56/48/613005648.db2.gz FHRCECHCPLITBY-HNNXBMFYSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862534690 613005649 /nfs/dbraw/zinc/00/56/49/613005649.db2.gz FHRCECHCPLITBY-HNNXBMFYSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877645055 613005779 /nfs/dbraw/zinc/00/57/79/613005779.db2.gz ZJTCXGQFGIGEEF-HNNXBMFYSA-N 1 2 274.364 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877645055 613005781 /nfs/dbraw/zinc/00/57/81/613005781.db2.gz ZJTCXGQFGIGEEF-HNNXBMFYSA-N 1 2 274.364 0.807 20 30 CCEDLO C#CCSCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000890514999 613011500 /nfs/dbraw/zinc/01/15/00/613011500.db2.gz WVLGQGOIIUPEQG-QWHCGFSZSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000875915426 613020404 /nfs/dbraw/zinc/02/04/04/613020404.db2.gz XLFJLONUMMZLJI-LBPRGKRZSA-N 1 2 276.340 0.837 20 30 CCEDLO C#CC[C@H](CO)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000868472784 613053754 /nfs/dbraw/zinc/05/37/54/613053754.db2.gz IHKOYVVRFYOMCE-CQSZACIVSA-N 1 2 283.331 0.915 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000875927364 613063199 /nfs/dbraw/zinc/06/31/99/613063199.db2.gz JTAQRKDWKJUKKK-HZSPNIEDSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000875927364 613063200 /nfs/dbraw/zinc/06/32/00/613063200.db2.gz JTAQRKDWKJUKKK-HZSPNIEDSA-N 1 2 297.399 0.433 20 30 CCEDLO C#CC[C@H](COC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899151732 613065925 /nfs/dbraw/zinc/06/59/25/613065925.db2.gz DUCYNEHSBYTMSY-RISCZKNCSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[C@H](COC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899151732 613065926 /nfs/dbraw/zinc/06/59/26/613065926.db2.gz DUCYNEHSBYTMSY-RISCZKNCSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000916882824 613067347 /nfs/dbraw/zinc/06/73/47/613067347.db2.gz LKBBXXYXJIYDST-GFCCVEGCSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000916882824 613067348 /nfs/dbraw/zinc/06/73/48/613067348.db2.gz LKBBXXYXJIYDST-GFCCVEGCSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000834606604 613077359 /nfs/dbraw/zinc/07/73/59/613077359.db2.gz OHPYRNBPANZPPJ-CYBMUJFWSA-N 1 2 283.335 0.592 20 30 CCEDLO C#C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCOCC1 ZINC000856103618 613092671 /nfs/dbraw/zinc/09/26/71/613092671.db2.gz NGPJYCXXPZLVMG-GFCCVEGCSA-N 1 2 261.325 0.805 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCO[C@](C)(C3CC3)C2)C1=O ZINC000849180400 613109547 /nfs/dbraw/zinc/10/95/47/613109547.db2.gz IUZRFMRRIHIPHG-DOMZBBRYSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCO[C@](C)(C3CC3)C2)C1=O ZINC000849180400 613109548 /nfs/dbraw/zinc/10/95/48/613109548.db2.gz IUZRFMRRIHIPHG-DOMZBBRYSA-N 1 2 276.336 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC000941560130 613114678 /nfs/dbraw/zinc/11/46/78/613114678.db2.gz YBNKXMQYTLTAEV-UHFFFAOYSA-N 1 2 279.359 0.198 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC000941519842 613115672 /nfs/dbraw/zinc/11/56/72/613115672.db2.gz FUPKISNUFCFXHE-CYBMUJFWSA-N 1 2 267.348 0.196 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000941311333 613116191 /nfs/dbraw/zinc/11/61/91/613116191.db2.gz FXVKWUSGTDCYMO-UHFFFAOYSA-N 1 2 273.336 0.355 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811184509 613118616 /nfs/dbraw/zinc/11/86/16/613118616.db2.gz PNAANFJEIRIFFZ-AAEUAGOBSA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811184509 613118618 /nfs/dbraw/zinc/11/86/18/613118618.db2.gz PNAANFJEIRIFFZ-AAEUAGOBSA-N 1 2 290.367 0.621 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)ccc2=O)C1 ZINC000970126779 613120895 /nfs/dbraw/zinc/12/08/95/613120895.db2.gz HPRLJUOFTRVRLU-LLVKDONJSA-N 1 2 273.336 0.069 20 30 CCEDLO C#C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000811904844 613141876 /nfs/dbraw/zinc/14/18/76/613141876.db2.gz OIVLXPXGNYPNJE-NWDGAFQWSA-N 1 2 262.313 0.400 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)no1)[C@H]1CCCO1 ZINC000877413981 613150983 /nfs/dbraw/zinc/15/09/83/613150983.db2.gz UJOACCUEYQMGJR-CMPLNLGQSA-N 1 2 264.281 0.732 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCOCC)C1 ZINC000885512561 613175989 /nfs/dbraw/zinc/17/59/89/613175989.db2.gz WWBVPWYIZMJHAO-GFCCVEGCSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCOCC)C1 ZINC000885512561 613175990 /nfs/dbraw/zinc/17/59/90/613175990.db2.gz WWBVPWYIZMJHAO-GFCCVEGCSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NCc2nnn(C(C)(C)C)n2)C1 ZINC000886209742 613192687 /nfs/dbraw/zinc/19/26/87/613192687.db2.gz UCLYHZZADKPGIS-LBPRGKRZSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NCc2nnn(C(C)(C)C)n2)C1 ZINC000886209742 613192689 /nfs/dbraw/zinc/19/26/89/613192689.db2.gz UCLYHZZADKPGIS-LBPRGKRZSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CCN1CCC[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC000886209742 613192690 /nfs/dbraw/zinc/19/26/90/613192690.db2.gz UCLYHZZADKPGIS-LBPRGKRZSA-N 1 2 276.388 0.615 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000885511251 613193191 /nfs/dbraw/zinc/19/31/91/613193191.db2.gz DIVKKSVVLJHNMJ-QWHCGFSZSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000885511251 613193194 /nfs/dbraw/zinc/19/31/94/613193194.db2.gz DIVKKSVVLJHNMJ-QWHCGFSZSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](CC)OC)C1 ZINC000885508775 613193359 /nfs/dbraw/zinc/19/33/59/613193359.db2.gz KTTBEEWFGDMXER-STQMWFEESA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](CC)OC)C1 ZINC000885508775 613193361 /nfs/dbraw/zinc/19/33/61/613193361.db2.gz KTTBEEWFGDMXER-STQMWFEESA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnc(CC)o1 ZINC000836992470 613199949 /nfs/dbraw/zinc/19/99/49/613199949.db2.gz CHYXYRUAPXOUCR-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnc(CC)o1 ZINC000836992470 613199950 /nfs/dbraw/zinc/19/99/50/613199950.db2.gz CHYXYRUAPXOUCR-LBPRGKRZSA-N 1 2 261.325 0.951 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCC[C@H]1COC ZINC000862599831 613200956 /nfs/dbraw/zinc/20/09/56/613200956.db2.gz KCZDBYOCTQNFCL-STQMWFEESA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCC[C@H]1COC ZINC000862599831 613200957 /nfs/dbraw/zinc/20/09/57/613200957.db2.gz KCZDBYOCTQNFCL-STQMWFEESA-N 1 2 265.357 0.226 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCF)C(=O)OC ZINC000846431148 613202300 /nfs/dbraw/zinc/20/23/00/613202300.db2.gz IMSSHWZZHSWESL-MNOVXSKESA-N 1 2 270.304 0.101 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCF)C(=O)OC ZINC000846431148 613202303 /nfs/dbraw/zinc/20/23/03/613202303.db2.gz IMSSHWZZHSWESL-MNOVXSKESA-N 1 2 270.304 0.101 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CO)ccn1 ZINC000911233993 613203327 /nfs/dbraw/zinc/20/33/27/613203327.db2.gz VPJUYHKAJGILJR-LBPRGKRZSA-N 1 2 259.309 0.610 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CO)ccn1 ZINC000911233993 613203330 /nfs/dbraw/zinc/20/33/30/613203330.db2.gz VPJUYHKAJGILJR-LBPRGKRZSA-N 1 2 259.309 0.610 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCOC)CC1 ZINC000802488590 613209776 /nfs/dbraw/zinc/20/97/76/613209776.db2.gz PVWIWQKKLSHHHJ-UHFFFAOYSA-N 1 2 277.372 0.242 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@@H]3C)n2C)CC1 ZINC000842930346 613209851 /nfs/dbraw/zinc/20/98/51/613209851.db2.gz UQAGERQGPJUWAT-CHWSQXEVSA-N 1 2 289.383 0.463 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972366043 613210804 /nfs/dbraw/zinc/21/08/04/613210804.db2.gz XVYVVTCRCQYEOY-HNNXBMFYSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)O)C2)C1 ZINC000972366043 613210806 /nfs/dbraw/zinc/21/08/06/613210806.db2.gz XVYVVTCRCQYEOY-HNNXBMFYSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972244385 613211394 /nfs/dbraw/zinc/21/13/94/613211394.db2.gz WNMNAWCXVHXVMG-ZFWWWQNUSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972244385 613211396 /nfs/dbraw/zinc/21/13/96/613211396.db2.gz WNMNAWCXVHXVMG-ZFWWWQNUSA-N 1 2 278.352 0.102 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972316670 613211952 /nfs/dbraw/zinc/21/19/52/613211952.db2.gz ODTRHXWUHOGYJL-OGZRUICASA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972316670 613211954 /nfs/dbraw/zinc/21/19/54/613211954.db2.gz ODTRHXWUHOGYJL-OGZRUICASA-N 1 2 274.364 0.889 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccnc3)C2)C1 ZINC000972347304 613212189 /nfs/dbraw/zinc/21/21/89/613212189.db2.gz TWKPYVWRKPARGM-QGZVFWFLSA-N 1 2 299.374 0.561 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccnc3)C2)C1 ZINC000972347304 613212192 /nfs/dbraw/zinc/21/21/92/613212192.db2.gz TWKPYVWRKPARGM-QGZVFWFLSA-N 1 2 299.374 0.561 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972347306 613212248 /nfs/dbraw/zinc/21/22/48/613212248.db2.gz TYJKBMAYKQYILI-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972347306 613212251 /nfs/dbraw/zinc/21/22/51/613212251.db2.gz TYJKBMAYKQYILI-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972505634 613212889 /nfs/dbraw/zinc/21/28/89/613212889.db2.gz DQOUGOJCFXAOQD-KCQAQPDRSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972505634 613212890 /nfs/dbraw/zinc/21/28/90/613212890.db2.gz DQOUGOJCFXAOQD-KCQAQPDRSA-N 1 2 262.353 0.579 20 30 CCEDLO C(=NNc1cc[nH+]cc1)c1ccc(-c2nn[nH]n2)o1 ZINC000823867734 613223208 /nfs/dbraw/zinc/22/32/08/613223208.db2.gz FNOBIDUUOKSHBZ-UHFFFAOYSA-N 1 2 255.241 0.723 20 30 CCEDLO C/C(=C\C(=O)N[C@@H](C#N)C(C)C)C[NH+]1CCOCC1 ZINC000900637373 613258096 /nfs/dbraw/zinc/25/80/96/613258096.db2.gz CLECFKRPZARCDY-RPHSKFLZSA-N 1 2 265.357 0.929 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 ZINC000951129958 613294369 /nfs/dbraw/zinc/29/43/69/613294369.db2.gz GDSKYCHMZKOWNS-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000949759952 613295423 /nfs/dbraw/zinc/29/54/23/613295423.db2.gz SRRPAUQDRDXRQK-STQMWFEESA-N 1 2 280.368 0.904 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000862232263 613323488 /nfs/dbraw/zinc/32/34/88/613323488.db2.gz VEVKOGPZXXRJGA-UHFFFAOYSA-N 1 2 260.341 0.680 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857887407 613324095 /nfs/dbraw/zinc/32/40/95/613324095.db2.gz QFKGEFRGNCKZND-UHFFFAOYSA-N 1 2 285.347 0.605 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857887407 613324097 /nfs/dbraw/zinc/32/40/97/613324097.db2.gz QFKGEFRGNCKZND-UHFFFAOYSA-N 1 2 285.347 0.605 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000852741086 613325453 /nfs/dbraw/zinc/32/54/53/613325453.db2.gz WJTZSMPSHMQBQJ-JTQLQIEISA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000852741086 613325456 /nfs/dbraw/zinc/32/54/56/613325456.db2.gz WJTZSMPSHMQBQJ-JTQLQIEISA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000815055765 613325964 /nfs/dbraw/zinc/32/59/64/613325964.db2.gz NCJJBJLPLYQMSU-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000815055765 613325966 /nfs/dbraw/zinc/32/59/66/613325966.db2.gz NCJJBJLPLYQMSU-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000805755182 613327938 /nfs/dbraw/zinc/32/79/38/613327938.db2.gz PDVPYRGJVGNIGV-UHFFFAOYSA-N 1 2 261.325 0.015 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000805755182 613327940 /nfs/dbraw/zinc/32/79/40/613327940.db2.gz PDVPYRGJVGNIGV-UHFFFAOYSA-N 1 2 261.325 0.015 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)Cl)CC1 ZINC000900585508 613328694 /nfs/dbraw/zinc/32/86/94/613328694.db2.gz RWPLTGHTUOEXQH-BENRWUELSA-N 1 2 297.786 0.413 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)Cl)CC1 ZINC000900585508 613328696 /nfs/dbraw/zinc/32/86/96/613328696.db2.gz RWPLTGHTUOEXQH-BENRWUELSA-N 1 2 297.786 0.413 20 30 CCEDLO C=C(C)CONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911901256 613352392 /nfs/dbraw/zinc/35/23/92/613352392.db2.gz FHSIHUKGJXKPPY-WQLSENKSSA-N 1 2 254.330 0.889 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882892660 613355139 /nfs/dbraw/zinc/35/51/39/613355139.db2.gz BSJJBXXRCMLERI-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298293 613359898 /nfs/dbraw/zinc/35/98/98/613359898.db2.gz HDFMLZOIMYYXKF-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298293 613359899 /nfs/dbraw/zinc/35/98/99/613359899.db2.gz HDFMLZOIMYYXKF-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870135039 613367057 /nfs/dbraw/zinc/36/70/57/613367057.db2.gz XDCGNAICQACQAH-UHFFFAOYSA-N 1 2 276.336 0.585 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CN(C(C)=O)C2)C1 ZINC000969570125 613372216 /nfs/dbraw/zinc/37/22/16/613372216.db2.gz UFMDWRQEGDNLCO-JTQLQIEISA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981050712 613373360 /nfs/dbraw/zinc/37/33/60/613373360.db2.gz VGYUGTJCBOWMNI-UHFFFAOYSA-N 1 2 297.790 0.955 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2ccnn2)CC1 ZINC000981050712 613373361 /nfs/dbraw/zinc/37/33/61/613373361.db2.gz VGYUGTJCBOWMNI-UHFFFAOYSA-N 1 2 297.790 0.955 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216683 613377422 /nfs/dbraw/zinc/37/74/22/613377422.db2.gz PUSIQLAQQXKOKS-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216683 613377423 /nfs/dbraw/zinc/37/74/23/613377423.db2.gz PUSIQLAQQXKOKS-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216683 613377424 /nfs/dbraw/zinc/37/74/24/613377424.db2.gz PUSIQLAQQXKOKS-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC000942216683 613377425 /nfs/dbraw/zinc/37/74/25/613377425.db2.gz PUSIQLAQQXKOKS-PSASIEDQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672464 613380203 /nfs/dbraw/zinc/38/02/03/613380203.db2.gz LLOGVBDLVDRZGN-CMPLNLGQSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672464 613380204 /nfs/dbraw/zinc/38/02/04/613380204.db2.gz LLOGVBDLVDRZGN-CMPLNLGQSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nocc2C)C1 ZINC000958573700 613380256 /nfs/dbraw/zinc/38/02/56/613380256.db2.gz KHSKMZHMUNSEBQ-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nocc2C)C1 ZINC000958573700 613380257 /nfs/dbraw/zinc/38/02/57/613380257.db2.gz KHSKMZHMUNSEBQ-WDEREUQCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672466 613380766 /nfs/dbraw/zinc/38/07/66/613380766.db2.gz LLOGVBDLVDRZGN-JQWIXIFHSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958672466 613380767 /nfs/dbraw/zinc/38/07/67/613380767.db2.gz LLOGVBDLVDRZGN-JQWIXIFHSA-N 1 2 298.774 0.195 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCN1CCCC1=O ZINC000878102527 613396595 /nfs/dbraw/zinc/39/65/95/613396595.db2.gz ULTFIMPZGRQIFC-NSHDSACASA-N 1 2 254.330 0.658 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCN1CCCC1=O ZINC000878102527 613396596 /nfs/dbraw/zinc/39/65/96/613396596.db2.gz ULTFIMPZGRQIFC-NSHDSACASA-N 1 2 254.330 0.658 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000968275811 613401811 /nfs/dbraw/zinc/40/18/11/613401811.db2.gz SPWKAHVGBIEBQK-RYUDHWBXSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000968275811 613401815 /nfs/dbraw/zinc/40/18/15/613401815.db2.gz SPWKAHVGBIEBQK-RYUDHWBXSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CCC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000981884536 613404192 /nfs/dbraw/zinc/40/41/92/613404192.db2.gz GUYOKHMGTPWBBG-UHFFFAOYSA-N 1 2 279.384 0.752 20 30 CCEDLO C=C1CCC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000981884536 613404193 /nfs/dbraw/zinc/40/41/93/613404193.db2.gz GUYOKHMGTPWBBG-UHFFFAOYSA-N 1 2 279.384 0.752 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924778036 613404561 /nfs/dbraw/zinc/40/45/61/613404561.db2.gz MHSGUVMEFUEOOW-JTQLQIEISA-N 1 2 298.412 0.941 20 30 CCEDLO C=CC[C@H](C)[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000877940825 613413398 /nfs/dbraw/zinc/41/33/98/613413398.db2.gz JOSPEIWDXUWFRQ-STQMWFEESA-N 1 2 272.414 0.756 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C#N)nc(C)n2)CC1 ZINC000881807316 613415802 /nfs/dbraw/zinc/41/58/02/613415802.db2.gz OEPXLAYOVCRIBN-UHFFFAOYSA-N 1 2 288.355 0.233 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)C(=O)OC ZINC000878506810 613419746 /nfs/dbraw/zinc/41/97/46/613419746.db2.gz AXXHLCBLZHUIRQ-AXFHLTTASA-N 1 2 254.330 0.608 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870060062 613434227 /nfs/dbraw/zinc/43/42/27/613434227.db2.gz TYPVBALLVXZMPQ-CYBMUJFWSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928646871 613466227 /nfs/dbraw/zinc/46/62/27/613466227.db2.gz MUBXTSPVVKSJER-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925297178 613472001 /nfs/dbraw/zinc/47/20/01/613472001.db2.gz FLCMRHASUYPRMT-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925297178 613472003 /nfs/dbraw/zinc/47/20/03/613472003.db2.gz FLCMRHASUYPRMT-NEPJUHHUSA-N 1 2 281.356 0.594 20 30 CCEDLO CC#CCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775215 613523193 /nfs/dbraw/zinc/52/31/93/613523193.db2.gz KYIJWPNNWMQRRW-KGLIPLIRSA-N 1 2 281.352 0.823 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC000951582360 613562046 /nfs/dbraw/zinc/56/20/46/613562046.db2.gz QTBJPJHZERSVPV-UHFFFAOYSA-N 1 2 260.341 0.510 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380282 613570778 /nfs/dbraw/zinc/57/07/78/613570778.db2.gz HDNWEKCYMUIHRU-QGZVFWFLSA-N 1 2 286.375 0.726 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380282 613570779 /nfs/dbraw/zinc/57/07/79/613570779.db2.gz HDNWEKCYMUIHRU-QGZVFWFLSA-N 1 2 286.375 0.726 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912746808 613579123 /nfs/dbraw/zinc/57/91/23/613579123.db2.gz RVPUSMYGJQOBRL-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912746808 613579125 /nfs/dbraw/zinc/57/91/25/613579125.db2.gz RVPUSMYGJQOBRL-VXGBXAGGSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC000854851422 613584821 /nfs/dbraw/zinc/58/48/21/613584821.db2.gz PKXJDMBNKONHLK-SNVBAGLBSA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000909273742 613585004 /nfs/dbraw/zinc/58/50/04/613585004.db2.gz RUZXQJQRILBNQV-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)nn1 ZINC000883380153 613599326 /nfs/dbraw/zinc/59/93/26/613599326.db2.gz BKDZYIZTMZMYMD-UMSPYCQHSA-N 1 2 284.385 0.519 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@@H](C)COC ZINC000853604777 613605816 /nfs/dbraw/zinc/60/58/16/613605816.db2.gz ILWNPSWVQOBQPL-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@@H](C)COC ZINC000853604777 613605819 /nfs/dbraw/zinc/60/58/19/613605819.db2.gz ILWNPSWVQOBQPL-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935458 613613541 /nfs/dbraw/zinc/61/35/41/613613541.db2.gz MSZKWQGBEXIZML-QWHCGFSZSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC000957935458 613613543 /nfs/dbraw/zinc/61/35/43/613613543.db2.gz MSZKWQGBEXIZML-QWHCGFSZSA-N 1 2 290.367 0.072 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974597819 613621150 /nfs/dbraw/zinc/62/11/50/613621150.db2.gz NUXGNMRTRITORE-LBPRGKRZSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974597819 613621151 /nfs/dbraw/zinc/62/11/51/613621151.db2.gz NUXGNMRTRITORE-LBPRGKRZSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC3(CC3)C(=O)O2)nn1 ZINC000881372834 613645257 /nfs/dbraw/zinc/64/52/57/613645257.db2.gz RMCOOFHDUBWHAY-GFCCVEGCSA-N 1 2 274.324 0.487 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@@H](C)COC ZINC000853533093 613650556 /nfs/dbraw/zinc/65/05/56/613650556.db2.gz UMPFLIXCHXNTOQ-NSHDSACASA-N 1 2 297.355 0.666 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@@H](C)COC ZINC000853533093 613650559 /nfs/dbraw/zinc/65/05/59/613650559.db2.gz UMPFLIXCHXNTOQ-NSHDSACASA-N 1 2 297.355 0.666 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000970085037 613670084 /nfs/dbraw/zinc/67/00/84/613670084.db2.gz ZNVCPZUPTKHUJR-QWRGUYRKSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000957376399 613708253 /nfs/dbraw/zinc/70/82/53/613708253.db2.gz OOBOYRDAADBJLA-UHFFFAOYSA-N 1 2 299.374 0.973 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC000957983510 613710696 /nfs/dbraw/zinc/71/06/96/613710696.db2.gz NTSNXMNBOSKDCB-LBPRGKRZSA-N 1 2 262.357 0.854 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000948927167 613711554 /nfs/dbraw/zinc/71/15/54/613711554.db2.gz YZASNYMPCPGNJH-CYBMUJFWSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC000957474691 613712656 /nfs/dbraw/zinc/71/26/56/613712656.db2.gz XJVJNCYIEXHZLW-ZDUSSCGKSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000949333099 613718069 /nfs/dbraw/zinc/71/80/69/613718069.db2.gz HPYJIVPPKOYVQD-UHFFFAOYSA-N 1 2 286.339 0.307 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000957361490 613718687 /nfs/dbraw/zinc/71/86/87/613718687.db2.gz XMURRYNPAHGJEB-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC000949108564 613719007 /nfs/dbraw/zinc/71/90/07/613719007.db2.gz LEJQJTHIWJOVFQ-UHFFFAOYSA-N 1 2 271.324 0.853 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972281756 613723848 /nfs/dbraw/zinc/72/38/48/613723848.db2.gz LTBWZJHKDPONLG-JSGCOSHPSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972281756 613723850 /nfs/dbraw/zinc/72/38/50/613723850.db2.gz LTBWZJHKDPONLG-JSGCOSHPSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972489630 613727570 /nfs/dbraw/zinc/72/75/70/613727570.db2.gz OZMIYYJDBXQKMQ-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972489630 613727573 /nfs/dbraw/zinc/72/75/73/613727573.db2.gz OZMIYYJDBXQKMQ-CQSZACIVSA-N 1 2 277.324 0.778 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC[S@](=O)C(F)(F)F)C1=O ZINC000930310322 613776469 /nfs/dbraw/zinc/77/64/69/613776469.db2.gz DWUYCQPKNMEQHL-UGZDLDLSSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC[S@](=O)C(F)(F)F)C1=O ZINC000930310322 613776472 /nfs/dbraw/zinc/77/64/72/613776472.db2.gz DWUYCQPKNMEQHL-UGZDLDLSSA-N 1 2 298.330 0.974 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897321505 613847078 /nfs/dbraw/zinc/84/70/78/613847078.db2.gz QSTSKCQJAXSTKV-GFCCVEGCSA-N 1 2 291.355 0.208 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897321505 613847080 /nfs/dbraw/zinc/84/70/80/613847080.db2.gz QSTSKCQJAXSTKV-GFCCVEGCSA-N 1 2 291.355 0.208 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(OC)nc1 ZINC000884412761 613877351 /nfs/dbraw/zinc/87/73/51/613877351.db2.gz ZVAOEVWLPSCAQG-NSHDSACASA-N 1 2 293.323 0.500 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H]1CCCOC1 ZINC000884386295 613877414 /nfs/dbraw/zinc/87/74/14/613877414.db2.gz LAYHZZVHTQYMFG-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC=C)C1CC1 ZINC000884331136 613877494 /nfs/dbraw/zinc/87/74/94/613877494.db2.gz GTBRQPCXHHDHIQ-NSHDSACASA-N 1 2 252.314 0.610 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](COCC)C1 ZINC000884166965 613877725 /nfs/dbraw/zinc/87/77/25/613877725.db2.gz QUCQJAANKWFKNK-NEPJUHHUSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000884143962 613877820 /nfs/dbraw/zinc/87/78/20/613877820.db2.gz WIWNJALKWKQFHX-DCAQKATOSA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC(C)(C)C1 ZINC000884419428 613877939 /nfs/dbraw/zinc/87/79/39/613877939.db2.gz QCVTUPKCJPJKEY-JTQLQIEISA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)OC[C@H]1C ZINC000884383414 613877989 /nfs/dbraw/zinc/87/79/89/613877989.db2.gz JJSBXNVTQPETMA-WOPDTQHZSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC(OC)CC1 ZINC000884142998 613878136 /nfs/dbraw/zinc/87/81/36/613878136.db2.gz RYAFBXGATGTNCI-BPCQOVAHSA-N 1 2 298.383 0.754 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOC1CCCC1 ZINC000884095198 613878196 /nfs/dbraw/zinc/87/81/96/613878196.db2.gz IBPTYAJVBZXHJE-LBPRGKRZSA-N 1 2 284.356 0.508 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccn(C(C)C)n1 ZINC000884135174 613878484 /nfs/dbraw/zinc/87/84/84/613878484.db2.gz CTYIQRFXFRUZNW-LBPRGKRZSA-N 1 2 294.355 0.527 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccccn1 ZINC000884391312 613878671 /nfs/dbraw/zinc/87/86/71/613878671.db2.gz XLUPGDMPSDLPNY-YPMHNXCESA-N 1 2 291.351 0.575 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000884159575 613878791 /nfs/dbraw/zinc/87/87/91/613878791.db2.gz HGAGLWGQDACKLN-AXFHLTTASA-N 1 2 286.397 0.833 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccnn1CC ZINC000884055541 613878948 /nfs/dbraw/zinc/87/89/48/613878948.db2.gz QLGXLTDGVLUOQE-VIFPVBQESA-N 1 2 266.301 0.288 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]1(C)CC1(C)C ZINC000884414628 613878967 /nfs/dbraw/zinc/87/89/67/613878967.db2.gz XMXAVUIJQHPJHI-TVQRCGJNSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842971280 613879669 /nfs/dbraw/zinc/87/96/69/613879669.db2.gz QCNHEIWJKOBLPU-OLZOCXBDSA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCOCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842971280 613879670 /nfs/dbraw/zinc/87/96/70/613879670.db2.gz QCNHEIWJKOBLPU-OLZOCXBDSA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000838711867 613883806 /nfs/dbraw/zinc/88/38/06/613883806.db2.gz VQYWURFURUIXNU-VXGBXAGGSA-N 1 2 269.345 0.609 20 30 CCEDLO CC(C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137650344 613920215 /nfs/dbraw/zinc/92/02/15/613920215.db2.gz MVHFHMZONDBWES-UHFFFAOYSA-N 1 2 250.302 0.438 20 30 CCEDLO CC(C)[C@@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865633782 614072105 /nfs/dbraw/zinc/07/21/05/614072105.db2.gz NLDLKMXBTXZMSG-VSQXVHSFSA-N 1 2 251.330 0.539 20 30 CCEDLO CC(C)N(C)c1ccc(C=[NH+]NC2=NCC(=O)N2)cn1 ZINC000863175841 614285679 /nfs/dbraw/zinc/28/56/79/614285679.db2.gz VGNXGDSXDBNCHA-UHFFFAOYSA-N 1 2 274.328 0.336 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000837430737 614314586 /nfs/dbraw/zinc/31/45/86/614314586.db2.gz FPXKTSGVJZFNFV-UHFFFAOYSA-N 1 2 289.383 0.472 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062039 614603431 /nfs/dbraw/zinc/60/34/31/614603431.db2.gz UUICMXZAHWHOSC-LBPRGKRZSA-N 1 2 275.356 0.692 20 30 CCEDLO CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H](C)C#N ZINC000825635259 614633179 /nfs/dbraw/zinc/63/31/79/614633179.db2.gz MPYMLLGZOLIBHR-MJBXVCDLSA-N 1 2 295.383 0.627 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899059673 615011155 /nfs/dbraw/zinc/01/11/55/615011155.db2.gz RGCDIZQQRCMFIS-UHFFFAOYSA-N 1 2 293.367 0.491 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899059673 615011159 /nfs/dbraw/zinc/01/11/59/615011159.db2.gz RGCDIZQQRCMFIS-UHFFFAOYSA-N 1 2 293.367 0.491 20 30 CCEDLO CCC[C@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865082697 615033210 /nfs/dbraw/zinc/03/32/10/615033210.db2.gz VPNWKPUYMQSBPC-KTLBGCOUSA-N 1 2 251.330 0.683 20 30 CCEDLO CCN1C(=O)CN(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523915 615079012 /nfs/dbraw/zinc/07/90/12/615079012.db2.gz IUDJYKVQEVQPAQ-LLVKDONJSA-N 1 2 264.329 0.854 20 30 CCEDLO CCN1C(=O)CN(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523915 615079014 /nfs/dbraw/zinc/07/90/14/615079014.db2.gz IUDJYKVQEVQPAQ-LLVKDONJSA-N 1 2 264.329 0.854 20 30 CCEDLO CCOC(=O)c1cccc(C[NH2+][C@@H]2CCCN(O)C2=O)n1 ZINC000895158116 615183897 /nfs/dbraw/zinc/18/38/97/615183897.db2.gz WSWSLZDBFCZGDW-LLVKDONJSA-N 1 2 293.323 0.728 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000878817906 615229351 /nfs/dbraw/zinc/22/93/51/615229351.db2.gz YJFWSDPCVQOUHE-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000851999066 615275067 /nfs/dbraw/zinc/27/50/67/615275067.db2.gz FJLAFGYNHDSEPM-HNNXBMFYSA-N 1 2 299.378 0.696 20 30 CCEDLO CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941347906 615513083 /nfs/dbraw/zinc/51/30/83/615513083.db2.gz GITZCZUPOUVYHO-QWHCGFSZSA-N 1 2 296.390 0.723 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)CC#N ZINC000874710367 615568208 /nfs/dbraw/zinc/56/82/08/615568208.db2.gz PEVANZTVEFEIHU-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)CC#N ZINC000874710367 615568209 /nfs/dbraw/zinc/56/82/09/615568209.db2.gz PEVANZTVEFEIHU-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)C(=O)c1ccc(O)cc1 ZINC000913521988 615857655 /nfs/dbraw/zinc/85/76/55/615857655.db2.gz VIIZLEOIWXGTCH-UHFFFAOYSA-N 1 2 260.293 0.256 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971811718 616041528 /nfs/dbraw/zinc/04/15/28/616041528.db2.gz UEVPQZLSAHGTNV-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)NC(=O)C2 ZINC000905491689 616067716 /nfs/dbraw/zinc/06/77/16/616067716.db2.gz HIGHLYHCVYUEIB-ZDUSSCGKSA-N 1 2 288.351 0.799 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)NC(=O)C2 ZINC000905491689 616067717 /nfs/dbraw/zinc/06/77/17/616067717.db2.gz HIGHLYHCVYUEIB-ZDUSSCGKSA-N 1 2 288.351 0.799 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1CO ZINC000913544955 616229815 /nfs/dbraw/zinc/22/98/15/616229815.db2.gz QODFYPSTIKESCL-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1CO ZINC000913544955 616229816 /nfs/dbraw/zinc/22/98/16/616229816.db2.gz QODFYPSTIKESCL-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1CO ZINC000913542654 616229891 /nfs/dbraw/zinc/22/98/91/616229891.db2.gz OKGXIQLGVDPZJL-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1CO ZINC000913542654 616229892 /nfs/dbraw/zinc/22/98/92/616229892.db2.gz OKGXIQLGVDPZJL-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](CO)C1 ZINC000912739638 616230073 /nfs/dbraw/zinc/23/00/73/616230073.db2.gz DFDCVXXVHYLVMV-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](CO)C1 ZINC000912739638 616230074 /nfs/dbraw/zinc/23/00/74/616230074.db2.gz DFDCVXXVHYLVMV-GFCCVEGCSA-N 1 2 275.308 0.012 20 30 CCEDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853525497 616277632 /nfs/dbraw/zinc/27/76/32/616277632.db2.gz WYRJNXNEDVKSNT-VXGBXAGGSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853525497 616277635 /nfs/dbraw/zinc/27/76/35/616277635.db2.gz WYRJNXNEDVKSNT-VXGBXAGGSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@H](C)O1 ZINC000844419297 616389366 /nfs/dbraw/zinc/38/93/66/616389366.db2.gz ADXCEAHCVQZIPQ-VWYCJHECSA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@H](C)O1 ZINC000844419297 616389370 /nfs/dbraw/zinc/38/93/70/616389370.db2.gz ADXCEAHCVQZIPQ-VWYCJHECSA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886004228 616426389 /nfs/dbraw/zinc/42/63/89/616426389.db2.gz VPUPUBDHKXQFSW-WOPDTQHZSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886004228 616426393 /nfs/dbraw/zinc/42/63/93/616426393.db2.gz VPUPUBDHKXQFSW-WOPDTQHZSA-N 1 2 282.340 0.039 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845441871 616495855 /nfs/dbraw/zinc/49/58/55/616495855.db2.gz VJZQPFNDHDMTBP-WDEREUQCSA-N 1 2 278.312 0.306 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000871342593 616546261 /nfs/dbraw/zinc/54/62/61/616546261.db2.gz QGRSULQMBHPDHX-UHFFFAOYSA-N 1 2 286.291 0.863 20 30 CCEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000967942002 616979171 /nfs/dbraw/zinc/97/91/71/616979171.db2.gz CFELIALAQRVGNS-VHSXEESVSA-N 1 2 293.327 0.066 20 30 CCEDLO COC[C@H](C#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000857065807 617046908 /nfs/dbraw/zinc/04/69/08/617046908.db2.gz AQVOHVXFFHBUJN-NSHDSACASA-N 1 2 263.297 0.844 20 30 CCEDLO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524518 617093910 /nfs/dbraw/zinc/09/39/10/617093910.db2.gz NNEMLDGQGUOHLN-RYUDHWBXSA-N 1 2 251.330 0.817 20 30 CCEDLO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524518 617093912 /nfs/dbraw/zinc/09/39/12/617093912.db2.gz NNEMLDGQGUOHLN-RYUDHWBXSA-N 1 2 251.330 0.817 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000913554836 617106585 /nfs/dbraw/zinc/10/65/85/617106585.db2.gz NQJRYLKLKVSOQY-AWEZNQCLSA-N 1 2 291.351 0.415 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000913554836 617106586 /nfs/dbraw/zinc/10/65/86/617106586.db2.gz NQJRYLKLKVSOQY-AWEZNQCLSA-N 1 2 291.351 0.415 20 30 CCEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026251895 625374964 /nfs/dbraw/zinc/37/49/64/625374964.db2.gz LLBJIKGSRXNVIK-RWMBFGLXSA-N 1 2 287.367 0.692 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@H]2C1 ZINC001026408744 625436460 /nfs/dbraw/zinc/43/64/60/625436460.db2.gz CGDUOMPAGAXTJK-RWMBFGLXSA-N 1 2 287.367 0.611 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692921 622661560 /nfs/dbraw/zinc/66/15/60/622661560.db2.gz SKMMFCOVZQOBRC-OUAUKWLOSA-N 1 2 273.340 0.590 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC(=O)NCCC ZINC000934508677 622728030 /nfs/dbraw/zinc/72/80/30/622728030.db2.gz FCPKPPGHGDXTQF-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)NCCC ZINC000934508677 622728035 /nfs/dbraw/zinc/72/80/35/622728035.db2.gz FCPKPPGHGDXTQF-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)Cn1cc[nH+]c1 ZINC000310921334 623601915 /nfs/dbraw/zinc/60/19/15/623601915.db2.gz SKMVLOXKSMOQFG-UHFFFAOYSA-N 1 2 251.286 0.461 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001020537422 624505115 /nfs/dbraw/zinc/50/51/15/624505115.db2.gz UCKCIRXYBZKVPX-DCAQKATOSA-N 1 2 289.339 0.217 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NCC#N)C1 ZINC000970224605 624660281 /nfs/dbraw/zinc/66/02/81/624660281.db2.gz TYRUEPWUVBZTPA-WDEREUQCSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NCC#N)C1 ZINC000970224605 624660282 /nfs/dbraw/zinc/66/02/82/624660282.db2.gz TYRUEPWUVBZTPA-WDEREUQCSA-N 1 2 261.329 0.302 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC001006815337 624679800 /nfs/dbraw/zinc/67/98/00/624679800.db2.gz QIVROJMQTVVEKF-SECBINFHSA-N 1 2 252.343 0.918 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC001006815337 624679807 /nfs/dbraw/zinc/67/98/07/624679807.db2.gz QIVROJMQTVVEKF-SECBINFHSA-N 1 2 252.343 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711635 624814350 /nfs/dbraw/zinc/81/43/50/624814350.db2.gz ZILXUKVBTXUNOM-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711635 624814351 /nfs/dbraw/zinc/81/43/51/624814351.db2.gz ZILXUKVBTXUNOM-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO NC(CCO)=[NH+]O[C@H]1CCCN(c2ccccc2)C1=O ZINC000121397248 624860318 /nfs/dbraw/zinc/86/03/18/624860318.db2.gz GNPBODZEVATQDW-LBPRGKRZSA-N 1 2 277.324 0.853 20 30 CCEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981124790 631236893 /nfs/dbraw/zinc/23/68/93/631236893.db2.gz WXOQQVNSVHSGOA-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981124790 631236901 /nfs/dbraw/zinc/23/69/01/631236901.db2.gz WXOQQVNSVHSGOA-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010344113 631301574 /nfs/dbraw/zinc/30/15/74/631301574.db2.gz KOBRDOFPDBAZTO-GHMZBOCLSA-N 1 2 258.749 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010344113 631301579 /nfs/dbraw/zinc/30/15/79/631301579.db2.gz KOBRDOFPDBAZTO-GHMZBOCLSA-N 1 2 258.749 0.966 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(CC#N)CC1 ZINC000981668775 631302170 /nfs/dbraw/zinc/30/21/70/631302170.db2.gz URVLLLLETOFOQH-UHFFFAOYSA-N 1 2 275.356 0.411 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000894309633 631704267 /nfs/dbraw/zinc/70/42/67/631704267.db2.gz QYJJZGCXAPBGEK-BXUZGUMPSA-N 1 2 289.339 0.522 20 30 CCEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](CCO)CC1 ZINC000895582861 632105765 /nfs/dbraw/zinc/10/57/65/632105765.db2.gz ICKMIPIWTVKJBC-UHFFFAOYSA-N 1 2 298.346 0.790 20 30 CCEDLO CC(C)([NH2+]CC(=O)NCCC#N)c1nccs1 ZINC000231730762 632813007 /nfs/dbraw/zinc/81/30/07/632813007.db2.gz RPNMYWMIIYOPTF-UHFFFAOYSA-N 1 2 252.343 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008149650 650103169 /nfs/dbraw/zinc/10/31/69/650103169.db2.gz RVVXTNALPSZUOQ-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008149650 650103170 /nfs/dbraw/zinc/10/31/70/650103170.db2.gz RVVXTNALPSZUOQ-WFASDCNBSA-N 1 2 299.374 0.736 20 30 CCEDLO N#C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCCOC1 ZINC000898507377 633613390 /nfs/dbraw/zinc/61/33/90/633613390.db2.gz ODUMJNYIWBFMCR-GXTWGEPZSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCCOC1 ZINC000898507377 633613403 /nfs/dbraw/zinc/61/34/03/633613403.db2.gz ODUMJNYIWBFMCR-GXTWGEPZSA-N 1 2 283.347 0.857 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(CC#N)C1 ZINC001009206018 650139881 /nfs/dbraw/zinc/13/98/81/650139881.db2.gz CDIYFQJFWAWIQZ-LLVKDONJSA-N 1 2 261.329 0.067 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000906596874 635012288 /nfs/dbraw/zinc/01/22/88/635012288.db2.gz SZKIGFOTNBGWOO-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C#CCO)c1 ZINC000908135091 635288507 /nfs/dbraw/zinc/28/85/07/635288507.db2.gz JFAPZISWFSRSCS-OAHLLOKOSA-N 1 2 295.342 0.972 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010502896 650234101 /nfs/dbraw/zinc/23/41/01/650234101.db2.gz ZKGGWBZOMMRVRM-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010502896 650234105 /nfs/dbraw/zinc/23/41/05/650234105.db2.gz ZKGGWBZOMMRVRM-WDEREUQCSA-N 1 2 285.775 0.456 20 30 CCEDLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H](C)N1CC#N ZINC000911715205 636348136 /nfs/dbraw/zinc/34/81/36/636348136.db2.gz ZBORRARIBIYKKH-BETUJISGSA-N 1 2 287.367 0.938 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)CC[NH2+]2)cn1 ZINC000913460679 636814572 /nfs/dbraw/zinc/81/45/72/636814572.db2.gz PPIVGYCAUBYUQA-ZDUSSCGKSA-N 1 2 258.325 0.306 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913542652 636841381 /nfs/dbraw/zinc/84/13/81/636841381.db2.gz OKGBBIUHWQEQAX-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913542652 636841383 /nfs/dbraw/zinc/84/13/83/636841383.db2.gz OKGBBIUHWQEQAX-GFCCVEGCSA-N 1 2 274.324 0.010 20 30 CCEDLO C#CCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174091140 637240624 /nfs/dbraw/zinc/24/06/24/637240624.db2.gz DUISRGGKXXCENU-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1N(CC#N)CC2 ZINC000992449674 637418518 /nfs/dbraw/zinc/41/85/18/637418518.db2.gz SGLGIWLXILONLK-UKRRQHHQSA-N 1 2 287.367 0.897 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)NCCn2cc[nH+]c2)nc1 ZINC000915905523 637879777 /nfs/dbraw/zinc/87/97/77/637879777.db2.gz NKRUQEHHZPUKBL-UHFFFAOYSA-N 1 2 299.338 0.561 20 30 CCEDLO O=S(=O)(CCn1cc[nH+]c1)OCC(F)(F)F ZINC000920957417 638155963 /nfs/dbraw/zinc/15/59/63/638155963.db2.gz XOFTVRSJVIRTGE-UHFFFAOYSA-N 1 2 258.221 0.792 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000995063698 638451955 /nfs/dbraw/zinc/45/19/55/638451955.db2.gz HFTCNNOVARPIQM-VIFPVBQESA-N 1 2 297.318 0.663 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(CC#N)CC1(C)C ZINC000941164828 638516888 /nfs/dbraw/zinc/51/68/88/638516888.db2.gz XPOXUZHPLZVAJZ-ZDUSSCGKSA-N 1 2 289.383 0.703 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000998745341 638938160 /nfs/dbraw/zinc/93/81/60/638938160.db2.gz HBJFAYGOKYPZPD-ONGXEEELSA-N 1 2 277.328 0.618 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000641041 639146391 /nfs/dbraw/zinc/14/63/91/639146391.db2.gz UXTDSOJFIQLZJQ-LLVKDONJSA-N 1 2 299.758 0.596 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000641041 639146393 /nfs/dbraw/zinc/14/63/93/639146393.db2.gz UXTDSOJFIQLZJQ-LLVKDONJSA-N 1 2 299.758 0.596 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014799009 650490150 /nfs/dbraw/zinc/49/01/50/650490150.db2.gz WPHJBUSTGWEHFW-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014799009 650490151 /nfs/dbraw/zinc/49/01/51/650490151.db2.gz WPHJBUSTGWEHFW-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968428 650508741 /nfs/dbraw/zinc/50/87/41/650508741.db2.gz OCFGPSUPKSVEIS-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001014968428 650508742 /nfs/dbraw/zinc/50/87/42/650508742.db2.gz OCFGPSUPKSVEIS-NEPJUHHUSA-N 1 2 299.802 0.798 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1nccc(N2CCOCC2)n1 ZINC000755772583 640336645 /nfs/dbraw/zinc/33/66/45/640336645.db2.gz KCADASQWGFRAHM-UHFFFAOYSA-N 1 2 287.327 0.493 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000798460548 640495776 /nfs/dbraw/zinc/49/57/76/640495776.db2.gz HRHLXEMFMCNXFS-RYUDHWBXSA-N 1 2 276.340 0.271 20 30 CCEDLO N#Cc1c(NC(=O)CC[NH+]2CCOCC2)n[nH]c1C1CC1 ZINC000807699542 640834011 /nfs/dbraw/zinc/83/40/11/640834011.db2.gz RBBIKUNYLAEDPZ-UHFFFAOYSA-N 1 2 289.339 0.820 20 30 CCEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCO ZINC000814943040 641083670 /nfs/dbraw/zinc/08/36/70/641083670.db2.gz DRRPZWMTNCPSSX-UHFFFAOYSA-N 1 2 285.307 0.400 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@@H]3CCN(CC#N)C3)[nH+]c12 ZINC001015842699 650639160 /nfs/dbraw/zinc/63/91/60/650639160.db2.gz HUZVHCROAHWSFK-CYBMUJFWSA-N 1 2 297.362 0.899 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180717 650694354 /nfs/dbraw/zinc/69/43/54/650694354.db2.gz JKMYPHKOWXAGLN-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180717 650694355 /nfs/dbraw/zinc/69/43/55/650694355.db2.gz JKMYPHKOWXAGLN-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354888 650721978 /nfs/dbraw/zinc/72/19/78/650721978.db2.gz RKWRYWFQRVCXMD-JTQLQIEISA-N 1 2 298.774 0.280 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354888 650721981 /nfs/dbraw/zinc/72/19/81/650721981.db2.gz RKWRYWFQRVCXMD-JTQLQIEISA-N 1 2 298.774 0.280 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1cc(F)cc(F)c1 ZINC000121410039 642666341 /nfs/dbraw/zinc/66/63/41/642666341.db2.gz ZKVIHTVKQHWFED-UHFFFAOYSA-N 1 2 287.266 0.252 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867215893 642723258 /nfs/dbraw/zinc/72/32/58/642723258.db2.gz WPVTUOXBYCMGEA-HSBHDXMMSA-N 1 2 268.357 0.176 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001017310578 650793144 /nfs/dbraw/zinc/79/31/44/650793144.db2.gz VHEYUXKBYYQMFC-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001017310578 650793146 /nfs/dbraw/zinc/79/31/46/650793146.db2.gz VHEYUXKBYYQMFC-TXEJJXNPSA-N 1 2 258.325 0.951 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001017408305 650799964 /nfs/dbraw/zinc/79/99/64/650799964.db2.gz AMSBPSNELBMECS-XJFOESAGSA-N 1 2 290.363 0.494 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001017408305 650799970 /nfs/dbraw/zinc/79/99/70/650799970.db2.gz AMSBPSNELBMECS-XJFOESAGSA-N 1 2 290.363 0.494 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001017670846 650817452 /nfs/dbraw/zinc/81/74/52/650817452.db2.gz KEZGMNFAIKPVKB-MELADBBJSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cncn2C1 ZINC001017679198 650817508 /nfs/dbraw/zinc/81/75/08/650817508.db2.gz BIECABZBSUDXOL-CWRNSKLLSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cncn2C1 ZINC001017679198 650817510 /nfs/dbraw/zinc/81/75/10/650817510.db2.gz BIECABZBSUDXOL-CWRNSKLLSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001017679198 650817513 /nfs/dbraw/zinc/81/75/13/650817513.db2.gz BIECABZBSUDXOL-CWRNSKLLSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC(=O)N1C ZINC001017787520 650822243 /nfs/dbraw/zinc/82/22/43/650822243.db2.gz HCBXEGNZDLOOAY-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC(=O)N1C ZINC001017787520 650822247 /nfs/dbraw/zinc/82/22/47/650822247.db2.gz HCBXEGNZDLOOAY-MELADBBJSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cn1 ZINC001017847487 650826189 /nfs/dbraw/zinc/82/61/89/650826189.db2.gz PIVKJMNBHQWHPD-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cn1 ZINC001017847487 650826190 /nfs/dbraw/zinc/82/61/90/650826190.db2.gz PIVKJMNBHQWHPD-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001017978948 650838216 /nfs/dbraw/zinc/83/82/16/650838216.db2.gz TULKLOQHZNDAHX-KHMAMNHCSA-N 1 2 274.364 0.862 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001017978948 650838219 /nfs/dbraw/zinc/83/82/19/650838219.db2.gz TULKLOQHZNDAHX-KHMAMNHCSA-N 1 2 274.364 0.862 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnc(OC)c1 ZINC001017950990 650836905 /nfs/dbraw/zinc/83/69/05/650836905.db2.gz XIUUGWNUPUZNHS-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnc(OC)c1 ZINC001017950990 650836908 /nfs/dbraw/zinc/83/69/08/650836908.db2.gz XIUUGWNUPUZNHS-GASCZTMLSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001017975184 650838361 /nfs/dbraw/zinc/83/83/61/650838361.db2.gz KXTYFKQMAKZLBK-YIYPIFLZSA-N 1 2 262.353 0.862 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001017975184 650838362 /nfs/dbraw/zinc/83/83/62/650838362.db2.gz KXTYFKQMAKZLBK-YIYPIFLZSA-N 1 2 262.353 0.862 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC#N)c1 ZINC000847409054 643516683 /nfs/dbraw/zinc/51/66/83/643516683.db2.gz PTCXCYNEYHXDBP-VIFPVBQESA-N 1 2 258.285 0.947 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC#N)c1 ZINC000847409054 643516688 /nfs/dbraw/zinc/51/66/88/643516688.db2.gz PTCXCYNEYHXDBP-VIFPVBQESA-N 1 2 258.285 0.947 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnccn1 ZINC001018144186 650845378 /nfs/dbraw/zinc/84/53/78/650845378.db2.gz OQANIHJFPDFOEU-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnccn1 ZINC001018144186 650845382 /nfs/dbraw/zinc/84/53/82/650845382.db2.gz OQANIHJFPDFOEU-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)cn1 ZINC000852000777 643912621 /nfs/dbraw/zinc/91/26/21/643912621.db2.gz ZHICLCHLBDYKNU-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018830160 650914018 /nfs/dbraw/zinc/91/40/18/650914018.db2.gz GWHWLRVYKJVSKN-LBPRGKRZSA-N 1 2 288.351 0.736 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857886683 644571608 /nfs/dbraw/zinc/57/16/08/644571608.db2.gz HUTPMYPDNLFCPU-JSGCOSHPSA-N 1 2 282.303 0.529 20 30 CCEDLO N#CCCn1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)n1 ZINC000865942736 645444101 /nfs/dbraw/zinc/44/41/01/645444101.db2.gz WJKIWPWGADHKHS-IWQZZHSRSA-N 1 2 289.339 0.624 20 30 CCEDLO C[C@H]([NH2+]CCOCCO)c1cccc(C#N)c1O ZINC000866214190 645504605 /nfs/dbraw/zinc/50/46/05/645504605.db2.gz ACXBLJJAIZILNB-JTQLQIEISA-N 1 2 250.298 0.923 20 30 CCEDLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(C#N)c1O ZINC000866366003 645523437 /nfs/dbraw/zinc/52/34/37/645523437.db2.gz WQUJYIAQHDPYRS-JTQLQIEISA-N 1 2 297.380 0.806 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001020308476 651058369 /nfs/dbraw/zinc/05/83/69/651058369.db2.gz FZQHHTGSPGWHBI-IJLUTSLNSA-N 1 2 273.340 0.206 20 30 CCEDLO N#CCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870058765 645955507 /nfs/dbraw/zinc/95/55/07/645955507.db2.gz ALSHXRZVOXZEPC-ZDUSSCGKSA-N 1 2 281.356 0.240 20 30 CCEDLO C[C@@H]1C(N=NC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000872362618 646250288 /nfs/dbraw/zinc/25/02/88/646250288.db2.gz WHLHZGPCEZDCJZ-SECBINFHSA-N 1 2 259.375 0.233 20 30 CCEDLO C[C@@H]1C(N=NC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC000872362618 646250291 /nfs/dbraw/zinc/25/02/91/646250291.db2.gz WHLHZGPCEZDCJZ-SECBINFHSA-N 1 2 259.375 0.233 20 30 CCEDLO O=c1ccn(N=C2CCC[N@@H+]3CCSC[C@H]23)c(=O)[nH]1 ZINC000872393621 646254975 /nfs/dbraw/zinc/25/49/75/646254975.db2.gz CMSVMCCJKWQLDZ-SNVBAGLBSA-N 1 2 280.353 0.364 20 30 CCEDLO O=c1ccn(N=C2CCC[N@H+]3CCSC[C@H]23)c(=O)[nH]1 ZINC000872393621 646254981 /nfs/dbraw/zinc/25/49/81/646254981.db2.gz CMSVMCCJKWQLDZ-SNVBAGLBSA-N 1 2 280.353 0.364 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000876762703 646659301 /nfs/dbraw/zinc/65/93/01/646659301.db2.gz KFFIYYRSWYARTC-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO Cn1nnnc1CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888059 646994228 /nfs/dbraw/zinc/99/42/28/646994228.db2.gz JEMBCXUEWMXAJI-OAHLLOKOSA-N 1 2 297.366 0.705 20 30 CCEDLO Cn1nnnc1CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888059 646994231 /nfs/dbraw/zinc/99/42/31/646994231.db2.gz JEMBCXUEWMXAJI-OAHLLOKOSA-N 1 2 297.366 0.705 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2CCCN(O)C2=O)c(C)c[nH+]1 ZINC000879074197 647023300 /nfs/dbraw/zinc/02/33/00/647023300.db2.gz KWLYRAPNVZLFCJ-SNVBAGLBSA-N 1 2 278.312 0.622 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879614207 647085432 /nfs/dbraw/zinc/08/54/32/647085432.db2.gz MHTCLXPXIVGVNQ-OLZOCXBDSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879614207 647085435 /nfs/dbraw/zinc/08/54/35/647085435.db2.gz MHTCLXPXIVGVNQ-OLZOCXBDSA-N 1 2 250.273 0.625 20 30 CCEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000881948225 647356051 /nfs/dbraw/zinc/35/60/51/647356051.db2.gz PMITZXGELCGYDJ-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO Cc1nc(C#N)cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000882350612 647401449 /nfs/dbraw/zinc/40/14/49/647401449.db2.gz HHHBSYHAZGVCMN-BXUZGUMPSA-N 1 2 287.367 0.956 20 30 CCEDLO C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)CCO)C1CC1 ZINC000136070801 647867566 /nfs/dbraw/zinc/86/75/66/647867566.db2.gz JCBKIORNXMUSKO-VIFPVBQESA-N 1 2 269.345 0.447 20 30 CCEDLO N#CC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)(F)F ZINC000928802894 648662164 /nfs/dbraw/zinc/66/21/64/648662164.db2.gz LNVREJOCHJCKEV-JWXWKVPASA-N 1 2 291.273 0.836 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946907 649103462 /nfs/dbraw/zinc/10/34/62/649103462.db2.gz KCIULQPMRRWNAR-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946907 649103464 /nfs/dbraw/zinc/10/34/64/649103464.db2.gz KCIULQPMRRWNAR-SNVBAGLBSA-N 1 2 297.355 0.808 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@H+](CC3(CO)COC3)CCO2)cc1 ZINC000933626825 649131098 /nfs/dbraw/zinc/13/10/98/649131098.db2.gz FLEHRFGPUDMBTN-OAHLLOKOSA-N 1 2 288.347 0.940 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@@H+](CC3(CO)COC3)CCO2)cc1 ZINC000933626825 649131099 /nfs/dbraw/zinc/13/10/99/649131099.db2.gz FLEHRFGPUDMBTN-OAHLLOKOSA-N 1 2 288.347 0.940 20 30 CCEDLO C[N@H+](CC(=O)NCCC#N)Cc1cccc(C(N)=O)c1 ZINC000049333540 649333015 /nfs/dbraw/zinc/33/30/15/649333015.db2.gz QJTLDHVMTMLERD-UHFFFAOYSA-N 1 2 274.324 0.247 20 30 CCEDLO C[N@@H+](CC(=O)NCCC#N)Cc1cccc(C(N)=O)c1 ZINC000049333540 649333019 /nfs/dbraw/zinc/33/30/19/649333019.db2.gz QJTLDHVMTMLERD-UHFFFAOYSA-N 1 2 274.324 0.247 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190493590 649451763 /nfs/dbraw/zinc/45/17/63/649451763.db2.gz UQQNIEWLMMLHGQ-UHFFFAOYSA-N 1 2 292.314 0.704 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(C)nc(N(C)C)n2)CC1 ZINC001165032099 721868212 /nfs/dbraw/zinc/86/82/12/721868212.db2.gz HHNYSQOHHGOMQM-UHFFFAOYSA-N 1 2 262.361 0.554 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230533379 805612305 /nfs/dbraw/zinc/61/23/05/805612305.db2.gz WVOPBWKJPUKDRK-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230533379 805612311 /nfs/dbraw/zinc/61/23/11/805612311.db2.gz WVOPBWKJPUKDRK-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C[N@H+](CCNC(=O)C1CC(C)(C)C1)CC(=O)NCC#N ZINC001266272407 790375717 /nfs/dbraw/zinc/37/57/17/790375717.db2.gz VHMCTXCFXPMBKZ-UHFFFAOYSA-N 1 2 280.372 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)C1CC(C)(C)C1)CC(=O)NCC#N ZINC001266272407 790375729 /nfs/dbraw/zinc/37/57/29/790375729.db2.gz VHMCTXCFXPMBKZ-UHFFFAOYSA-N 1 2 280.372 0.110 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CCC)[C@H]2C1 ZINC001083186945 790413741 /nfs/dbraw/zinc/41/37/41/790413741.db2.gz RUJQHQPBAONRBS-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CCC)[C@H]2C1 ZINC001083186945 790413751 /nfs/dbraw/zinc/41/37/51/790413751.db2.gz RUJQHQPBAONRBS-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001266308507 790483338 /nfs/dbraw/zinc/48/33/38/790483338.db2.gz XEQBBIGHYKMCAC-GFCCVEGCSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001266308507 790483343 /nfs/dbraw/zinc/48/33/43/790483343.db2.gz XEQBBIGHYKMCAC-GFCCVEGCSA-N 1 2 297.399 0.294 20 30 CCEDLO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319450 790497455 /nfs/dbraw/zinc/49/74/55/790497455.db2.gz MEMBPUOAHOZXSH-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319450 790497464 /nfs/dbraw/zinc/49/74/64/790497464.db2.gz MEMBPUOAHOZXSH-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001209370412 790608707 /nfs/dbraw/zinc/60/87/07/790608707.db2.gz VNMGQACGWYQSRZ-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001209370412 790608709 /nfs/dbraw/zinc/60/87/09/790608709.db2.gz VNMGQACGWYQSRZ-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C(C)(C)C ZINC001266501578 790800436 /nfs/dbraw/zinc/80/04/36/790800436.db2.gz CBNYNPBPMACMBA-BETUJISGSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C(C)(C)C ZINC001266501578 790800444 /nfs/dbraw/zinc/80/04/44/790800444.db2.gz CBNYNPBPMACMBA-BETUJISGSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccn1 ZINC001230824381 805674344 /nfs/dbraw/zinc/67/43/44/805674344.db2.gz ZDPZEOGHTUJPHR-QWHCGFSZSA-N 1 2 260.341 0.610 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccn1 ZINC001230824381 805674348 /nfs/dbraw/zinc/67/43/48/805674348.db2.gz ZDPZEOGHTUJPHR-QWHCGFSZSA-N 1 2 260.341 0.610 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccon1 ZINC001230889310 805685756 /nfs/dbraw/zinc/68/57/56/805685756.db2.gz ICHHHELAJLTGMM-LBPRGKRZSA-N 1 2 277.324 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccon1 ZINC001230889310 805685759 /nfs/dbraw/zinc/68/57/59/805685759.db2.gz ICHHHELAJLTGMM-LBPRGKRZSA-N 1 2 277.324 0.471 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001277570302 805857951 /nfs/dbraw/zinc/85/79/51/805857951.db2.gz DDXDHRLDXUDMDB-RYUDHWBXSA-N 1 2 270.373 0.491 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001232674072 805967895 /nfs/dbraw/zinc/96/78/95/805967895.db2.gz RJADCJYXQKKYAH-JSGCOSHPSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001232674072 805967901 /nfs/dbraw/zinc/96/79/01/805967901.db2.gz RJADCJYXQKKYAH-JSGCOSHPSA-N 1 2 262.309 0.439 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001232675584 805969892 /nfs/dbraw/zinc/96/98/92/805969892.db2.gz QJHSOQGKXJGRIH-AWEZNQCLSA-N 1 2 273.336 0.780 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001232675584 805969896 /nfs/dbraw/zinc/96/98/96/805969896.db2.gz QJHSOQGKXJGRIH-AWEZNQCLSA-N 1 2 273.336 0.780 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266853902 791291056 /nfs/dbraw/zinc/29/10/56/791291056.db2.gz WBFAINFZWFCFFI-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266853902 791291065 /nfs/dbraw/zinc/29/10/65/791291065.db2.gz WBFAINFZWFCFFI-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cccc3)[C@H]2C1 ZINC001083234199 791467555 /nfs/dbraw/zinc/46/75/55/791467555.db2.gz QXNOKRNHKSKMNQ-LSDHHAIUSA-N 1 2 287.363 0.423 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cccc3)[C@H]2C1 ZINC001083234199 791467560 /nfs/dbraw/zinc/46/75/60/791467560.db2.gz QXNOKRNHKSKMNQ-LSDHHAIUSA-N 1 2 287.363 0.423 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001267194415 791654810 /nfs/dbraw/zinc/65/48/10/791654810.db2.gz OXFWEBOLPZALJQ-UHFFFAOYSA-N 1 2 295.427 0.951 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001267194415 791654811 /nfs/dbraw/zinc/65/48/11/791654811.db2.gz OXFWEBOLPZALJQ-UHFFFAOYSA-N 1 2 295.427 0.951 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001267198206 791660078 /nfs/dbraw/zinc/66/00/78/791660078.db2.gz HVSSNGDWNABKAM-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001267198206 791660081 /nfs/dbraw/zinc/66/00/81/791660081.db2.gz HVSSNGDWNABKAM-KGLIPLIRSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234331752 806224820 /nfs/dbraw/zinc/22/48/20/806224820.db2.gz CEEDSKGHTMKAMD-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001234331752 806224822 /nfs/dbraw/zinc/22/48/22/806224822.db2.gz CEEDSKGHTMKAMD-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](CC)Cc1cnnn1C ZINC001267240562 793228733 /nfs/dbraw/zinc/22/87/33/793228733.db2.gz QHXFUJALUZIXBZ-UHFFFAOYSA-N 1 2 277.372 0.557 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](CC)Cc1cnnn1C ZINC001267240562 793228742 /nfs/dbraw/zinc/22/87/42/793228742.db2.gz QHXFUJALUZIXBZ-UHFFFAOYSA-N 1 2 277.372 0.557 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001235698436 806494119 /nfs/dbraw/zinc/49/41/19/806494119.db2.gz KGYPRBQEOMEPQN-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001235698436 806494121 /nfs/dbraw/zinc/49/41/21/806494121.db2.gz KGYPRBQEOMEPQN-UHFFFAOYSA-N 1 2 282.344 0.519 20 30 CCEDLO C[N@@H+]1CCc2n[nH]c(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278097227 806664220 /nfs/dbraw/zinc/66/42/20/806664220.db2.gz XWDZIJKRXKNQOO-UHFFFAOYSA-N 1 2 259.313 0.383 20 30 CCEDLO C[N@H+]1CCc2n[nH]c(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278097227 806664223 /nfs/dbraw/zinc/66/42/23/806664223.db2.gz XWDZIJKRXKNQOO-UHFFFAOYSA-N 1 2 259.313 0.383 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2ccnc(C#N)c2)C1 ZINC001237467607 806670882 /nfs/dbraw/zinc/67/08/82/806670882.db2.gz YLQMBIOYIUDXOE-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2ccnc(C#N)c2)C1 ZINC001237467607 806670886 /nfs/dbraw/zinc/67/08/86/806670886.db2.gz YLQMBIOYIUDXOE-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121190065 799011168 /nfs/dbraw/zinc/01/11/68/799011168.db2.gz IKVNFDCDPPZWHD-LLVKDONJSA-N 1 2 264.329 0.640 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121750044 799068204 /nfs/dbraw/zinc/06/82/04/799068204.db2.gz WCYIHVLGYUJARL-ZYHUDNBSSA-N 1 2 294.355 0.265 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122483135 799244651 /nfs/dbraw/zinc/24/46/51/799244651.db2.gz SKTZLKOGFHSAJN-SMDDNHRTSA-N 1 2 295.387 0.763 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122483135 799244655 /nfs/dbraw/zinc/24/46/55/799244655.db2.gz SKTZLKOGFHSAJN-SMDDNHRTSA-N 1 2 295.387 0.763 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795172 799476431 /nfs/dbraw/zinc/47/64/31/799476431.db2.gz PXDRNKOCEDWDEU-RYUDHWBXSA-N 1 2 254.378 0.448 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795172 799476435 /nfs/dbraw/zinc/47/64/35/799476435.db2.gz PXDRNKOCEDWDEU-RYUDHWBXSA-N 1 2 254.378 0.448 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001124764919 799633959 /nfs/dbraw/zinc/63/39/59/799633959.db2.gz FGLVBLPZITUCLR-UHFFFAOYSA-N 1 2 282.344 0.431 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)cc1C#N ZINC001139726150 799834214 /nfs/dbraw/zinc/83/42/14/799834214.db2.gz VTCWZQBDLIHZQR-OAHLLOKOSA-N 1 2 285.347 0.910 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)cc1C#N ZINC001139726150 799834216 /nfs/dbraw/zinc/83/42/16/799834216.db2.gz VTCWZQBDLIHZQR-OAHLLOKOSA-N 1 2 285.347 0.910 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001203019257 799898021 /nfs/dbraw/zinc/89/80/21/799898021.db2.gz MCYIGJPLROYGSF-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001203019257 799898029 /nfs/dbraw/zinc/89/80/29/799898029.db2.gz MCYIGJPLROYGSF-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO CCc1cc(C[NH+]2CCN(CC(N)=O)CC2)ccc1C#N ZINC001238779079 806804911 /nfs/dbraw/zinc/80/49/11/806804911.db2.gz UJFHAECLPRYRIM-UHFFFAOYSA-N 1 2 286.379 0.724 20 30 CCEDLO O=C(C#CC1CC1)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001149693799 800291570 /nfs/dbraw/zinc/29/15/70/800291570.db2.gz CGQOYGJUMYULFH-ZDUSSCGKSA-N 1 2 268.332 0.576 20 30 CCEDLO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001149693799 800291573 /nfs/dbraw/zinc/29/15/73/800291573.db2.gz CGQOYGJUMYULFH-ZDUSSCGKSA-N 1 2 268.332 0.576 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001153135632 800600192 /nfs/dbraw/zinc/60/01/92/800600192.db2.gz WHUCFITUWOAXII-SNVBAGLBSA-N 1 2 298.343 0.013 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001153135405 800600810 /nfs/dbraw/zinc/60/08/10/800600810.db2.gz SIIKCKQDUWCFRR-LBPRGKRZSA-N 1 2 278.356 0.582 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3cccnc32)CC1 ZINC001153151248 800602412 /nfs/dbraw/zinc/60/24/12/800602412.db2.gz KXTOPQIYEKNXEM-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001153149389 800602766 /nfs/dbraw/zinc/60/27/66/800602766.db2.gz WVNSMMLFCYTYFV-UWVGGRQHSA-N 1 2 282.344 0.736 20 30 CCEDLO C[C@H]1CC(NC(=O)c2ccc(C[NH+](C)C)nc2)=NO1 ZINC001153393985 800627713 /nfs/dbraw/zinc/62/77/13/800627713.db2.gz CBPKXMCWLNUIGZ-VIFPVBQESA-N 1 2 262.313 0.995 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155743034 801046482 /nfs/dbraw/zinc/04/64/82/801046482.db2.gz CCFKDMSBZXABPK-VXGBXAGGSA-N 1 2 277.372 0.938 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155743034 801046487 /nfs/dbraw/zinc/04/64/87/801046487.db2.gz CCFKDMSBZXABPK-VXGBXAGGSA-N 1 2 277.372 0.938 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn3ccnc3cn2)CC1 ZINC001156202623 801129577 /nfs/dbraw/zinc/12/95/77/801129577.db2.gz NEXFVOSVIVZOFD-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO CN(C)C(=O)c1nc(CNc2cc(CC#N)cc[nH+]2)no1 ZINC001156210685 801131364 /nfs/dbraw/zinc/13/13/64/801131364.db2.gz IGRFCCKKSAIWII-UHFFFAOYSA-N 1 2 286.295 0.845 20 30 CCEDLO CCOC(=O)c1cnc(N2CC[NH2+]C[C@@H]2C#N)c(C)c1 ZINC001156319910 801150091 /nfs/dbraw/zinc/15/00/91/801150091.db2.gz IZVICPRIDOUGKY-LBPRGKRZSA-N 1 2 274.324 0.869 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1nc2ccc(Cl)nc2[nH]1 ZINC001156327573 801151270 /nfs/dbraw/zinc/15/12/70/801151270.db2.gz GKPKXHDOPXHYEC-ZETCQYMHSA-N 1 2 262.704 0.913 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(OC)c1C#N ZINC001157770436 801476929 /nfs/dbraw/zinc/47/69/29/801476929.db2.gz JTHGGPIVBVDMDV-LLVKDONJSA-N 1 2 290.323 0.255 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(OC)c1C#N ZINC001157770436 801476935 /nfs/dbraw/zinc/47/69/35/801476935.db2.gz JTHGGPIVBVDMDV-LLVKDONJSA-N 1 2 290.323 0.255 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(Cl)ncc1C#N ZINC001157770654 801477494 /nfs/dbraw/zinc/47/74/94/801477494.db2.gz ONORRQZETZLBAN-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(Cl)ncc1C#N ZINC001157770654 801477497 /nfs/dbraw/zinc/47/74/97/801477497.db2.gz ONORRQZETZLBAN-SECBINFHSA-N 1 2 295.730 0.295 20 30 CCEDLO COC(=O)C1(C#N)CCN(Cc2c[nH+]cn2C)CC1 ZINC001204389336 801969989 /nfs/dbraw/zinc/96/99/89/801969989.db2.gz RFVOVXXWYLIJRR-UHFFFAOYSA-N 1 2 262.313 0.699 20 30 CCEDLO Cc1c[nH+]c(N[C@@H](CCC[NH3+])C(=O)[O-])c(/C=N/O)c1 ZINC001160597197 801979652 /nfs/dbraw/zinc/97/96/52/801979652.db2.gz GRMKVFNSRCIQPW-XVBMGZJVSA-N 1 2 266.301 0.802 20 30 CCEDLO Cc1ncc(C#N)c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160722793 802010511 /nfs/dbraw/zinc/01/05/11/802010511.db2.gz IRJAMLXPKYNILD-KGLIPLIRSA-N 1 2 287.367 0.744 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C#N)cc1C(=O)OC ZINC001161951019 802257245 /nfs/dbraw/zinc/25/72/45/802257245.db2.gz UDWCHTYJRDUETO-SNVBAGLBSA-N 1 2 292.295 0.042 20 30 CCEDLO C[NH+]1CCN(C(=O)c2ccnc(NCC#N)c2)CC1 ZINC001163177090 802501891 /nfs/dbraw/zinc/50/18/91/802501891.db2.gz BBPNFINPBTYMKI-UHFFFAOYSA-N 1 2 259.313 0.405 20 30 CCEDLO C=C(C)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC001163375742 802548981 /nfs/dbraw/zinc/54/89/81/802548981.db2.gz JHVKBZROQOCPGV-UHFFFAOYSA-N 1 2 261.329 0.743 20 30 CCEDLO C=C(C)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001163375742 802548987 /nfs/dbraw/zinc/54/89/87/802548987.db2.gz JHVKBZROQOCPGV-UHFFFAOYSA-N 1 2 261.329 0.743 20 30 CCEDLO CC(C)C[C@H](Nc1cc(N(C)C)nc[nH+]1)C(=O)NO ZINC001163415907 802553006 /nfs/dbraw/zinc/55/30/06/802553006.db2.gz KMAOPTGPUSBXAP-VIFPVBQESA-N 1 2 267.333 0.875 20 30 CCEDLO CC(C)C[C@H](Nc1cc(N(C)C)[nH+]cn1)C(=O)NO ZINC001163415907 802553008 /nfs/dbraw/zinc/55/30/08/802553008.db2.gz KMAOPTGPUSBXAP-VIFPVBQESA-N 1 2 267.333 0.875 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001264370823 809644706 /nfs/dbraw/zinc/64/47/06/809644706.db2.gz KXUMUPXTZQLTCV-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001264370823 809644711 /nfs/dbraw/zinc/64/47/11/809644711.db2.gz KXUMUPXTZQLTCV-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265280785 809745190 /nfs/dbraw/zinc/74/51/90/809745190.db2.gz FYVPTCPFLWSGAN-JATZPVMKSA-N 1 2 278.356 0.173 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265280785 809745194 /nfs/dbraw/zinc/74/51/94/809745194.db2.gz FYVPTCPFLWSGAN-JATZPVMKSA-N 1 2 278.356 0.173 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(Cl)nc(CC#N)n2)C[NH2+]1 ZINC001164301514 802713402 /nfs/dbraw/zinc/71/34/02/802713402.db2.gz BVKLHTDLJMJAPB-YUMQZZPRSA-N 1 2 295.730 0.511 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(OC)c(CC#N)n2)C[NH2+]1 ZINC001164306213 802716134 /nfs/dbraw/zinc/71/61/34/802716134.db2.gz HNMPAGNNVRNIIY-ONGXEEELSA-N 1 2 290.323 0.472 20 30 CCEDLO CCOC(=O)Cc1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164650833 802775457 /nfs/dbraw/zinc/77/54/57/802775457.db2.gz BZQFDCCCOKULGY-GFCCVEGCSA-N 1 2 274.324 0.489 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001038356919 811711826 /nfs/dbraw/zinc/71/18/26/811711826.db2.gz LWUVSRLBRJQGIN-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001038356919 811711833 /nfs/dbraw/zinc/71/18/33/811711833.db2.gz LWUVSRLBRJQGIN-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC(C)C2)CC1 ZINC000084760123 803135387 /nfs/dbraw/zinc/13/53/87/803135387.db2.gz AEYWPSDZCZYURF-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC(C)C2)CC1 ZINC000084760123 803135395 /nfs/dbraw/zinc/13/53/95/803135395.db2.gz AEYWPSDZCZYURF-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001206489850 803253087 /nfs/dbraw/zinc/25/30/87/803253087.db2.gz BARAFDUYMWGBKE-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001206489850 803253092 /nfs/dbraw/zinc/25/30/92/803253092.db2.gz BARAFDUYMWGBKE-VXGBXAGGSA-N 1 2 288.413 0.434 20 30 CCEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccnc(C#N)c1 ZINC001206590171 803271379 /nfs/dbraw/zinc/27/13/79/803271379.db2.gz NWFRUMQZAHLLGC-UHFFFAOYSA-N 1 2 257.253 0.898 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948480 803316188 /nfs/dbraw/zinc/31/61/88/803316188.db2.gz MNEXADWNDMAXDL-BXUZGUMPSA-N 1 2 287.367 0.165 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948480 803316195 /nfs/dbraw/zinc/31/61/95/803316195.db2.gz MNEXADWNDMAXDL-BXUZGUMPSA-N 1 2 287.367 0.165 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CCF)CC2)cc1C#N ZINC001207106710 803353250 /nfs/dbraw/zinc/35/32/50/803353250.db2.gz RCUGYLZPIRNTAF-UHFFFAOYSA-N 1 2 250.321 0.984 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001271375851 814395111 /nfs/dbraw/zinc/39/51/11/814395111.db2.gz VNUGFWOBXUGQGB-ZDUSSCGKSA-N 1 2 276.380 0.753 20 30 CCEDLO CCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217305669 803886244 /nfs/dbraw/zinc/88/62/44/803886244.db2.gz GRKNVKWMTWNTKF-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217305669 803886250 /nfs/dbraw/zinc/88/62/50/803886250.db2.gz GRKNVKWMTWNTKF-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001276782839 803951982 /nfs/dbraw/zinc/95/19/82/803951982.db2.gz LFVRYFWKBHKDJJ-NSHDSACASA-N 1 2 296.396 0.853 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001276782839 803951986 /nfs/dbraw/zinc/95/19/86/803951986.db2.gz LFVRYFWKBHKDJJ-NSHDSACASA-N 1 2 296.396 0.853 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212044823 814984954 /nfs/dbraw/zinc/98/49/54/814984954.db2.gz BHHZNAWLVMQXDL-BJPDOBEOSA-N 1 2 271.748 0.714 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212044823 814984959 /nfs/dbraw/zinc/98/49/59/814984959.db2.gz BHHZNAWLVMQXDL-BJPDOBEOSA-N 1 2 271.748 0.714 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001219110045 804204964 /nfs/dbraw/zinc/20/49/64/804204964.db2.gz BRPDALMQVMCNKE-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001219110045 804204969 /nfs/dbraw/zinc/20/49/69/804204969.db2.gz BRPDALMQVMCNKE-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](O)C1 ZINC001219155411 804220100 /nfs/dbraw/zinc/22/01/00/804220100.db2.gz FSPFTOZXDSPZIP-KFWWJZLASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](O)C1 ZINC001219155411 804220106 /nfs/dbraw/zinc/22/01/06/804220106.db2.gz FSPFTOZXDSPZIP-KFWWJZLASA-N 1 2 292.379 0.154 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219346741 804281327 /nfs/dbraw/zinc/28/13/27/804281327.db2.gz UMMZHXXPGMWCDF-UPJWGTAASA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219346741 804281333 /nfs/dbraw/zinc/28/13/33/804281333.db2.gz UMMZHXXPGMWCDF-UPJWGTAASA-N 1 2 297.399 0.029 20 30 CCEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)o1 ZINC001219381181 804292613 /nfs/dbraw/zinc/29/26/13/804292613.db2.gz JWXSSGXQENEBNV-FXAINCCUSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)o1 ZINC001219381181 804292619 /nfs/dbraw/zinc/29/26/19/804292619.db2.gz JWXSSGXQENEBNV-FXAINCCUSA-N 1 2 292.339 0.112 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCCC)[C@@H](O)C1 ZINC001219560569 804350684 /nfs/dbraw/zinc/35/06/84/804350684.db2.gz HIIQZGIYZNVTRZ-UPJWGTAASA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCCC)[C@@H](O)C1 ZINC001219560569 804350692 /nfs/dbraw/zinc/35/06/92/804350692.db2.gz HIIQZGIYZNVTRZ-UPJWGTAASA-N 1 2 252.358 0.607 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219589783 804362479 /nfs/dbraw/zinc/36/24/79/804362479.db2.gz IKJJEVNCCUBWGU-CABCVRRESA-N 1 2 285.347 0.156 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219589783 804362486 /nfs/dbraw/zinc/36/24/86/804362486.db2.gz IKJJEVNCCUBWGU-CABCVRRESA-N 1 2 285.347 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)[C@@H](O)C1 ZINC001219640199 804387625 /nfs/dbraw/zinc/38/76/25/804387625.db2.gz UVBRXDOGXACPBA-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)[C@@H](O)C1 ZINC001219640199 804387632 /nfs/dbraw/zinc/38/76/32/804387632.db2.gz UVBRXDOGXACPBA-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220469863 804611510 /nfs/dbraw/zinc/61/15/10/804611510.db2.gz LKPHQJJMLHUSJN-CFVMTHIKSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220469863 804611511 /nfs/dbraw/zinc/61/15/11/804611511.db2.gz LKPHQJJMLHUSJN-CFVMTHIKSA-N 1 2 278.396 0.997 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)C)[C@@H]2C1 ZINC001221276919 804763468 /nfs/dbraw/zinc/76/34/68/804763468.db2.gz RIWDJIUXUZXQBC-CHWSQXEVSA-N 1 2 279.384 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)C)[C@@H]2C1 ZINC001221276919 804763474 /nfs/dbraw/zinc/76/34/74/804763474.db2.gz RIWDJIUXUZXQBC-CHWSQXEVSA-N 1 2 279.384 0.477 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221423315 804815045 /nfs/dbraw/zinc/81/50/45/804815045.db2.gz DKTOCEFKCUSULU-CHWSQXEVSA-N 1 2 290.367 0.125 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221423315 804815054 /nfs/dbraw/zinc/81/50/54/804815054.db2.gz DKTOCEFKCUSULU-CHWSQXEVSA-N 1 2 290.367 0.125 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC=C)[C@@H]2C1 ZINC001221424522 804815195 /nfs/dbraw/zinc/81/51/95/804815195.db2.gz HILMMQIUFOWXMJ-ZIAGYGMSSA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC=C)[C@@H]2C1 ZINC001221424522 804815202 /nfs/dbraw/zinc/81/52/02/804815202.db2.gz HILMMQIUFOWXMJ-ZIAGYGMSSA-N 1 2 289.379 0.235 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731334 804839457 /nfs/dbraw/zinc/83/94/57/804839457.db2.gz BPQSPOSUAWPIBZ-MVWJERBFSA-N 1 2 299.802 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001221731334 804839459 /nfs/dbraw/zinc/83/94/59/804839459.db2.gz BPQSPOSUAWPIBZ-MVWJERBFSA-N 1 2 299.802 0.783 20 30 CCEDLO N#CCN1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042465 804949243 /nfs/dbraw/zinc/94/92/43/804949243.db2.gz DFLZYXUVJXFVAZ-UHFFFAOYSA-N 1 2 275.356 0.694 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)O/C(=N\O)c1ccccn1 ZINC001223978175 804998486 /nfs/dbraw/zinc/99/84/86/804998486.db2.gz QPNGIPRAOLTXOD-XGOYLDHDSA-N 1 2 265.313 0.955 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001276986050 805062738 /nfs/dbraw/zinc/06/27/38/805062738.db2.gz PCXQPOZYNZGJMS-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001276986050 805062748 /nfs/dbraw/zinc/06/27/48/805062748.db2.gz PCXQPOZYNZGJMS-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCn1cc(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)cn1 ZINC001277019294 805107975 /nfs/dbraw/zinc/10/79/75/805107975.db2.gz YVPQUKRHSNTLMZ-DGAVXFQQSA-N 1 2 290.367 0.268 20 30 CCEDLO C=CCn1cc(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)cn1 ZINC001277019294 805107980 /nfs/dbraw/zinc/10/79/80/805107980.db2.gz YVPQUKRHSNTLMZ-DGAVXFQQSA-N 1 2 290.367 0.268 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225406849 805126034 /nfs/dbraw/zinc/12/60/34/805126034.db2.gz DODXLLXHVDKCJL-HALBRFILSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225406849 805126039 /nfs/dbraw/zinc/12/60/39/805126039.db2.gz DODXLLXHVDKCJL-HALBRFILSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cncc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226685540 805264896 /nfs/dbraw/zinc/26/48/96/805264896.db2.gz CMFXPVFFHYUHKF-VSSGSJIUSA-N 1 2 257.293 0.944 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cncc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226685540 805264902 /nfs/dbraw/zinc/26/49/02/805264902.db2.gz CMFXPVFFHYUHKF-VSSGSJIUSA-N 1 2 257.293 0.944 20 30 CCEDLO Cn1ccc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)n1 ZINC001227290432 805340039 /nfs/dbraw/zinc/34/00/39/805340039.db2.gz WRMAGYKLYVTYBT-UHFFFAOYSA-N 1 2 286.379 0.914 20 30 CCEDLO COCC#CC[NH2+]CCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001277292074 805439364 /nfs/dbraw/zinc/43/93/64/805439364.db2.gz UYAWYXYUEHZIQK-LLVKDONJSA-N 1 2 296.346 0.687 20 30 CCEDLO N#CCC1CN(C(=O)C23CC([NH2+]Cc4c[nH]nn4)(C2)C3)C1 ZINC001277378722 805522737 /nfs/dbraw/zinc/52/27/37/805522737.db2.gz JTHXXFYUJITZBY-UHFFFAOYSA-N 1 2 286.339 0.189 20 30 CCEDLO C=CCOC(=O)[C@H](CC(C)C)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246214533 807189391 /nfs/dbraw/zinc/18/93/91/807189391.db2.gz FMHBLRLYSJTQSO-AGIUHOORSA-N 1 2 298.383 0.623 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@@](C)(C#N)CC(C)C)C[NH2+]1 ZINC001246463458 807256580 /nfs/dbraw/zinc/25/65/80/807256580.db2.gz LUPOSJPYEUTINJ-GMXVVIOVSA-N 1 2 253.346 0.808 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CN1 ZINC001246695764 807358384 /nfs/dbraw/zinc/35/83/84/807358384.db2.gz QGWZHVKDEGKZJS-SRVKXCTJSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CN1 ZINC001246695764 807358391 /nfs/dbraw/zinc/35/83/91/807358391.db2.gz QGWZHVKDEGKZJS-SRVKXCTJSA-N 1 2 296.392 0.554 20 30 CCEDLO C=CCCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001247624452 807471450 /nfs/dbraw/zinc/47/14/50/807471450.db2.gz NHQJCEARVBPHGP-LBPRGKRZSA-N 1 2 269.414 0.844 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075966981 815129754 /nfs/dbraw/zinc/12/97/54/815129754.db2.gz APOHQMVESLRZCL-GZBFAFLISA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1ccc(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251026331 807646338 /nfs/dbraw/zinc/64/63/38/807646338.db2.gz FQPMAAZKDYQZBJ-ZDUSSCGKSA-N 1 2 279.315 0.802 20 30 CCEDLO N#C[C@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001251036192 807650840 /nfs/dbraw/zinc/65/08/40/807650840.db2.gz ARGZOYARUWPWOJ-GJZGRUSLSA-N 1 2 293.342 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083485275 815154249 /nfs/dbraw/zinc/15/42/49/815154249.db2.gz SUEBAENFOUYLEF-KFWWJZLASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083485275 815154253 /nfs/dbraw/zinc/15/42/53/815154253.db2.gz SUEBAENFOUYLEF-KFWWJZLASA-N 1 2 276.380 0.917 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001253584278 808089528 /nfs/dbraw/zinc/08/95/28/808089528.db2.gz LGGMTKZOTRNUHP-CQSZACIVSA-N 1 2 260.337 0.878 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001253584278 808089536 /nfs/dbraw/zinc/08/95/36/808089536.db2.gz LGGMTKZOTRNUHP-CQSZACIVSA-N 1 2 260.337 0.878 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782163 808234584 /nfs/dbraw/zinc/23/45/84/808234584.db2.gz RSVJIQICUSSHRH-GXSJLCMTSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782163 808234587 /nfs/dbraw/zinc/23/45/87/808234587.db2.gz RSVJIQICUSSHRH-GXSJLCMTSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278782163 808234589 /nfs/dbraw/zinc/23/45/89/808234589.db2.gz RSVJIQICUSSHRH-GXSJLCMTSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278782163 808234591 /nfs/dbraw/zinc/23/45/91/808234591.db2.gz RSVJIQICUSSHRH-GXSJLCMTSA-N 1 2 296.264 0.463 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CCOC[C@@H]2C#N)CC1 ZINC001254411163 808235875 /nfs/dbraw/zinc/23/58/75/808235875.db2.gz BOMVDTPLLYXPCM-ZDUSSCGKSA-N 1 2 281.356 0.238 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C#N)C2)cn1 ZINC001254655140 808270171 /nfs/dbraw/zinc/27/01/71/808270171.db2.gz YZUJYGZXLGFQMM-YUSALJHKSA-N 1 2 262.313 0.791 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cscc2C)C1 ZINC001278851691 808335182 /nfs/dbraw/zinc/33/51/82/808335182.db2.gz WJFJMTGIDLLPGM-UHFFFAOYSA-N 1 2 278.377 0.856 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cn1 ZINC001038495007 815200656 /nfs/dbraw/zinc/20/06/56/815200656.db2.gz BPDKTIQVEPTWOZ-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cn1 ZINC001038495007 815200659 /nfs/dbraw/zinc/20/06/59/815200659.db2.gz BPDKTIQVEPTWOZ-LLVKDONJSA-N 1 2 274.324 0.313 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H](F)CC)C(C)C ZINC001278914237 808472222 /nfs/dbraw/zinc/47/22/22/808472222.db2.gz CRTKYKZKHMMQGD-ZDUSSCGKSA-N 1 2 299.390 0.653 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H](F)CC)C(C)C ZINC001278914237 808472227 /nfs/dbraw/zinc/47/22/27/808472227.db2.gz CRTKYKZKHMMQGD-ZDUSSCGKSA-N 1 2 299.390 0.653 20 30 CCEDLO CCOC(=O)N1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001256231577 808482824 /nfs/dbraw/zinc/48/28/24/808482824.db2.gz SIIRGUCWULVFEU-JTQLQIEISA-N 1 2 290.385 0.668 20 30 CCEDLO CC(C)(C)c1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126904351 815210450 /nfs/dbraw/zinc/21/04/50/815210450.db2.gz VPSRENLYMNDIAB-UHFFFAOYSA-N 1 2 290.367 0.986 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@@H](O)C1 ZINC001083532830 815228407 /nfs/dbraw/zinc/22/84/07/815228407.db2.gz KGRDAYUXMMOITK-ZJUUUORDSA-N 1 2 296.758 0.034 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@@H](O)C1 ZINC001083532830 815228413 /nfs/dbraw/zinc/22/84/13/815228413.db2.gz KGRDAYUXMMOITK-ZJUUUORDSA-N 1 2 296.758 0.034 20 30 CCEDLO C=C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263830600 809582200 /nfs/dbraw/zinc/58/22/00/809582200.db2.gz QHBLWOROFRRBAM-NWDGAFQWSA-N 1 2 254.378 0.496 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265212350 809725524 /nfs/dbraw/zinc/72/55/24/809725524.db2.gz AEPRZMVTYYKSJQ-NSHDSACASA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265212350 809725527 /nfs/dbraw/zinc/72/55/27/809725527.db2.gz AEPRZMVTYYKSJQ-NSHDSACASA-N 1 2 265.357 0.102 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001265210230 809725619 /nfs/dbraw/zinc/72/56/19/809725619.db2.gz IQQKRZBOOONULP-CQSZACIVSA-N 1 2 289.379 0.427 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001265210230 809725626 /nfs/dbraw/zinc/72/56/26/809725626.db2.gz IQQKRZBOOONULP-CQSZACIVSA-N 1 2 289.379 0.427 20 30 CCEDLO CCOCC1(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001265259909 809734493 /nfs/dbraw/zinc/73/44/93/809734493.db2.gz PPWUYHMPIJADPH-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001265268669 809737861 /nfs/dbraw/zinc/73/78/61/809737861.db2.gz UTNWMPDGAVSHSN-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001265268669 809737863 /nfs/dbraw/zinc/73/78/63/809737863.db2.gz UTNWMPDGAVSHSN-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001265284739 809746467 /nfs/dbraw/zinc/74/64/67/809746467.db2.gz VCCLHLKUGGVXNK-CHWSQXEVSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001265284739 809746471 /nfs/dbraw/zinc/74/64/71/809746471.db2.gz VCCLHLKUGGVXNK-CHWSQXEVSA-N 1 2 290.367 0.149 20 30 CCEDLO CCn1cc(C[N@H+](C)CCCNC(=O)[C@@H](C)C#N)nn1 ZINC001265815352 809861418 /nfs/dbraw/zinc/86/14/18/809861418.db2.gz XHCFTWUMDUBXTP-NSHDSACASA-N 1 2 278.360 0.396 20 30 CCEDLO CCn1cc(C[N@@H+](C)CCCNC(=O)[C@@H](C)C#N)nn1 ZINC001265815352 809861427 /nfs/dbraw/zinc/86/14/27/809861427.db2.gz XHCFTWUMDUBXTP-NSHDSACASA-N 1 2 278.360 0.396 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001280403042 810014713 /nfs/dbraw/zinc/01/47/13/810014713.db2.gz QRXAOBFPVQRXTI-STQMWFEESA-N 1 2 293.371 0.232 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001280403042 810014718 /nfs/dbraw/zinc/01/47/18/810014718.db2.gz QRXAOBFPVQRXTI-STQMWFEESA-N 1 2 293.371 0.232 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267262934 811064042 /nfs/dbraw/zinc/06/40/42/811064042.db2.gz DVANVJOHEWHXBH-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267262934 811064050 /nfs/dbraw/zinc/06/40/50/811064050.db2.gz DVANVJOHEWHXBH-LBPRGKRZSA-N 1 2 293.371 0.098 20 30 CCEDLO C[C@H](CC(=O)NC[C@H]1CCCN1CC#N)n1cc[nH+]c1 ZINC001267278580 811084674 /nfs/dbraw/zinc/08/46/74/811084674.db2.gz MONDDPOCIYXRLS-CHWSQXEVSA-N 1 2 275.356 0.938 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001076974680 815427314 /nfs/dbraw/zinc/42/73/14/815427314.db2.gz BUSLIZFEOSAOCU-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001076974680 815427319 /nfs/dbraw/zinc/42/73/19/815427319.db2.gz BUSLIZFEOSAOCU-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038287370 811212795 /nfs/dbraw/zinc/21/27/95/811212795.db2.gz OVDCSFNZAJBUBH-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038287370 811212803 /nfs/dbraw/zinc/21/28/03/811212803.db2.gz OVDCSFNZAJBUBH-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001077018623 815432042 /nfs/dbraw/zinc/43/20/42/815432042.db2.gz YEBZGEHNZGPIBE-NXEZZACHSA-N 1 2 297.380 0.503 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001077018623 815432046 /nfs/dbraw/zinc/43/20/46/815432046.db2.gz YEBZGEHNZGPIBE-NXEZZACHSA-N 1 2 297.380 0.503 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038292559 811246873 /nfs/dbraw/zinc/24/68/73/811246873.db2.gz IJDAILJYVSHNLZ-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038292559 811246878 /nfs/dbraw/zinc/24/68/78/811246878.db2.gz IJDAILJYVSHNLZ-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038314673 811410356 /nfs/dbraw/zinc/41/03/56/811410356.db2.gz NMKBBYZYJDSSRJ-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038314673 811410360 /nfs/dbraw/zinc/41/03/60/811410360.db2.gz NMKBBYZYJDSSRJ-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038322149 811485140 /nfs/dbraw/zinc/48/51/40/811485140.db2.gz JYCUDVXMKZBRTD-ZDUSSCGKSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001038322149 811485144 /nfs/dbraw/zinc/48/51/44/811485144.db2.gz JYCUDVXMKZBRTD-ZDUSSCGKSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001077202736 815459641 /nfs/dbraw/zinc/45/96/41/815459641.db2.gz SMSDOEPBIKTFPV-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001077202736 815459644 /nfs/dbraw/zinc/45/96/44/815459644.db2.gz SMSDOEPBIKTFPV-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)CSC)C1 ZINC001267678781 811643368 /nfs/dbraw/zinc/64/33/68/811643368.db2.gz IERIJCHIISXGNP-LLVKDONJSA-N 1 2 299.440 0.336 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001038340079 811648521 /nfs/dbraw/zinc/64/85/21/811648521.db2.gz KZEPQEBTMAUEIO-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001038340079 811648527 /nfs/dbraw/zinc/64/85/27/811648527.db2.gz KZEPQEBTMAUEIO-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001077216487 815462696 /nfs/dbraw/zinc/46/26/96/815462696.db2.gz FZACBNVNAOPINV-RBSFLKMASA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001077216487 815462699 /nfs/dbraw/zinc/46/26/99/815462699.db2.gz FZACBNVNAOPINV-RBSFLKMASA-N 1 2 276.380 0.917 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267731800 811702254 /nfs/dbraw/zinc/70/22/54/811702254.db2.gz UCFZQLRUIHPTET-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267731800 811702261 /nfs/dbraw/zinc/70/22/61/811702261.db2.gz UCFZQLRUIHPTET-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001267736985 811709474 /nfs/dbraw/zinc/70/94/74/811709474.db2.gz RSPZBZOAWJWLPE-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001267736985 811709480 /nfs/dbraw/zinc/70/94/80/811709480.db2.gz RSPZBZOAWJWLPE-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001267810245 811806615 /nfs/dbraw/zinc/80/66/15/811806615.db2.gz ZQERUCHKZQVFAK-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001077322738 815479833 /nfs/dbraw/zinc/47/98/33/815479833.db2.gz FFOVDPSBCFOSOE-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001077322738 815479835 /nfs/dbraw/zinc/47/98/35/815479835.db2.gz FFOVDPSBCFOSOE-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669392 815492704 /nfs/dbraw/zinc/49/27/04/815492704.db2.gz PIOQYHQEFLGOJJ-HNNXBMFYSA-N 1 2 299.378 0.434 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H](O)C1 ZINC001083592515 815518101 /nfs/dbraw/zinc/51/81/01/815518101.db2.gz FLUWWUWJYHJEAU-OLZOCXBDSA-N 1 2 290.367 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H](O)C1 ZINC001083592515 815518103 /nfs/dbraw/zinc/51/81/03/815518103.db2.gz FLUWWUWJYHJEAU-OLZOCXBDSA-N 1 2 290.367 0.046 20 30 CCEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC001268241048 812405841 /nfs/dbraw/zinc/40/58/41/812405841.db2.gz URGPSXPNFFTFSE-LBPRGKRZSA-N 1 2 296.415 0.699 20 30 CCEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC001268241048 812405843 /nfs/dbraw/zinc/40/58/43/812405843.db2.gz URGPSXPNFFTFSE-LBPRGKRZSA-N 1 2 296.415 0.699 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(F)c[nH]1 ZINC001268243481 812407477 /nfs/dbraw/zinc/40/74/77/812407477.db2.gz LDZVXNITUYQJIO-UHFFFAOYSA-N 1 2 296.346 0.460 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(F)c[nH]1 ZINC001268243481 812407486 /nfs/dbraw/zinc/40/74/86/812407486.db2.gz LDZVXNITUYQJIO-UHFFFAOYSA-N 1 2 296.346 0.460 20 30 CCEDLO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001268303579 812467076 /nfs/dbraw/zinc/46/70/76/812467076.db2.gz GCZBGBPQSGWDBW-ZYHUDNBSSA-N 1 2 294.355 0.309 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2ccnn2C)C1 ZINC001268311177 812471269 /nfs/dbraw/zinc/47/12/69/812471269.db2.gz SOFXGWLHWRNFCT-UHFFFAOYSA-N 1 2 262.357 0.729 20 30 CCEDLO C=CCCCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001268445231 812570499 /nfs/dbraw/zinc/57/04/99/812570499.db2.gz JBVXEPOVBWJNMX-LBPRGKRZSA-N 1 2 256.346 0.150 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001028328453 812621564 /nfs/dbraw/zinc/62/15/64/812621564.db2.gz QQPXZDLHLIKMKK-QWHCGFSZSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001028328453 812621567 /nfs/dbraw/zinc/62/15/67/812621567.db2.gz QQPXZDLHLIKMKK-QWHCGFSZSA-N 1 2 298.408 0.168 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126366740 812686504 /nfs/dbraw/zinc/68/65/04/812686504.db2.gz ZDRPXCRUBAXBBC-LLVKDONJSA-N 1 2 270.358 0.071 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001126379136 812824183 /nfs/dbraw/zinc/82/41/83/812824183.db2.gz XUGSQSPORMWQRL-CABZTGNLSA-N 1 2 284.385 0.632 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001127023436 815559497 /nfs/dbraw/zinc/55/94/97/815559497.db2.gz LUPAACFKBKYRIT-LLVKDONJSA-N 1 2 294.355 0.439 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](O)C1 ZINC001083366396 812912501 /nfs/dbraw/zinc/91/25/01/812912501.db2.gz HBMHMRAPHDZQBO-KGLIPLIRSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](O)C1 ZINC001083366396 812912507 /nfs/dbraw/zinc/91/25/07/812912507.db2.gz HBMHMRAPHDZQBO-KGLIPLIRSA-N 1 2 264.369 0.751 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CNCC#N)c[nH+]1 ZINC001268692083 813014110 /nfs/dbraw/zinc/01/41/10/813014110.db2.gz XNAKTXQSTGQYOG-JTQLQIEISA-N 1 2 263.345 0.545 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643765 813107372 /nfs/dbraw/zinc/10/73/72/813107372.db2.gz RURFLONQGXLCCG-CHWSQXEVSA-N 1 2 287.367 0.407 20 30 CCEDLO C#CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001268851952 813113593 /nfs/dbraw/zinc/11/35/93/813113593.db2.gz YITKGVZAYRDGDJ-BZNIZROVSA-N 1 2 294.314 0.897 20 30 CCEDLO C=CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001268988252 813170795 /nfs/dbraw/zinc/17/07/95/813170795.db2.gz CITYVCKHVDQWBG-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001268988252 813170796 /nfs/dbraw/zinc/17/07/96/813170796.db2.gz CITYVCKHVDQWBG-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC)C2)C1 ZINC001269061229 813198697 /nfs/dbraw/zinc/19/86/97/813198697.db2.gz HBZKLBPWODAKEE-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC)C2)C1 ZINC001269061229 813198704 /nfs/dbraw/zinc/19/87/04/813198704.db2.gz HBZKLBPWODAKEE-LBPRGKRZSA-N 1 2 279.384 0.669 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001269200486 813260698 /nfs/dbraw/zinc/26/06/98/813260698.db2.gz WHKCNQCXOUINPD-GXTWGEPZSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001269200486 813260701 /nfs/dbraw/zinc/26/07/01/813260701.db2.gz WHKCNQCXOUINPD-GXTWGEPZSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001269221985 813276109 /nfs/dbraw/zinc/27/61/09/813276109.db2.gz CXAZRYISGCKSEX-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001269221985 813276114 /nfs/dbraw/zinc/27/61/14/813276114.db2.gz CXAZRYISGCKSEX-ZIAGYGMSSA-N 1 2 291.395 0.601 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001269273553 813301102 /nfs/dbraw/zinc/30/11/02/813301102.db2.gz ZLJROOOJQBBRGK-CYBMUJFWSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001269273553 813301109 /nfs/dbraw/zinc/30/11/09/813301109.db2.gz ZLJROOOJQBBRGK-CYBMUJFWSA-N 1 2 293.411 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001038403385 813344864 /nfs/dbraw/zinc/34/48/64/813344864.db2.gz IBYIXAIHCGQPOO-KGLIPLIRSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001038403385 813344869 /nfs/dbraw/zinc/34/48/69/813344869.db2.gz IBYIXAIHCGQPOO-KGLIPLIRSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CCN1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001269569315 813426210 /nfs/dbraw/zinc/42/62/10/813426210.db2.gz PGLQUDUROOHMED-HNNXBMFYSA-N 1 2 286.335 0.036 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001269755002 813492564 /nfs/dbraw/zinc/49/25/64/813492564.db2.gz JCBNRDFTYIOVLG-SNVBAGLBSA-N 1 2 271.386 0.421 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001269805874 813513694 /nfs/dbraw/zinc/51/36/94/813513694.db2.gz RRDCOILLZVLIAJ-UHFFFAOYSA-N 1 2 294.355 0.383 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNCC#N ZINC001270165954 813659241 /nfs/dbraw/zinc/65/92/41/813659241.db2.gz RIYIZWQOFZIDMT-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001038422926 813782449 /nfs/dbraw/zinc/78/24/49/813782449.db2.gz BHKIEHZWNRCKNZ-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001270620535 813842586 /nfs/dbraw/zinc/84/25/86/813842586.db2.gz NXIOIIHGRCPRMO-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001270620535 813842594 /nfs/dbraw/zinc/84/25/94/813842594.db2.gz NXIOIIHGRCPRMO-UONOGXRCSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001270712825 813903406 /nfs/dbraw/zinc/90/34/06/813903406.db2.gz HZFDFBJQSAUEPX-BETUJISGSA-N 1 2 258.325 0.608 20 30 CCEDLO CC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001270712825 813903412 /nfs/dbraw/zinc/90/34/12/813903412.db2.gz HZFDFBJQSAUEPX-BETUJISGSA-N 1 2 258.325 0.608 20 30 CCEDLO C=CCN1CC[C@@]2(CCCN2C(=O)C[NH+]2CCC2)C1=O ZINC001271012581 814115816 /nfs/dbraw/zinc/11/58/16/814115816.db2.gz USTUXSJTOOAHCM-HNNXBMFYSA-N 1 2 277.368 0.472 20 30 CCEDLO N#CCN1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001271102122 814151375 /nfs/dbraw/zinc/15/13/75/814151375.db2.gz XYGARMWSZKDFRQ-JTQLQIEISA-N 1 2 297.309 0.549 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001271361792 814391162 /nfs/dbraw/zinc/39/11/62/814391162.db2.gz SXEUEOFUPMIDFQ-GFCCVEGCSA-N 1 2 284.400 0.787 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001280399340 814417228 /nfs/dbraw/zinc/41/72/28/814417228.db2.gz LUERWCYHQAGGHW-AAEUAGOBSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001280399340 814417236 /nfs/dbraw/zinc/41/72/36/814417236.db2.gz LUERWCYHQAGGHW-AAEUAGOBSA-N 1 2 265.357 0.763 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CCC=C ZINC001280405665 814474968 /nfs/dbraw/zinc/47/49/68/814474968.db2.gz DBAZOVAERIJTLG-KGLIPLIRSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1CCC=C ZINC001280405665 814474971 /nfs/dbraw/zinc/47/49/71/814474971.db2.gz DBAZOVAERIJTLG-KGLIPLIRSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CCC=C ZINC001280405664 814475202 /nfs/dbraw/zinc/47/52/02/814475202.db2.gz DBAZOVAERIJTLG-KBPBESRZSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1CCC=C ZINC001280405664 814475204 /nfs/dbraw/zinc/47/52/04/814475204.db2.gz DBAZOVAERIJTLG-KBPBESRZSA-N 1 2 280.368 0.418 20 30 CCEDLO C=C(C)C(=O)OCCNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001168070982 814540290 /nfs/dbraw/zinc/54/02/90/814540290.db2.gz VIUNHOKEQLWHPK-UHFFFAOYSA-N 1 2 277.280 0.944 20 30 CCEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001105419038 814622516 /nfs/dbraw/zinc/62/25/16/814622516.db2.gz BWUHUAMEDDMXNM-UHFFFAOYSA-N 1 2 299.338 0.140 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ncccc2O)[C@H]1C ZINC001088536408 814858216 /nfs/dbraw/zinc/85/82/16/814858216.db2.gz UIJJWFPCHDOLNY-MNOVXSKESA-N 1 2 259.309 0.613 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)[C@H]1C ZINC001088536408 814858220 /nfs/dbraw/zinc/85/82/20/814858220.db2.gz UIJJWFPCHDOLNY-MNOVXSKESA-N 1 2 259.309 0.613 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](O)C1 ZINC001083644793 815591747 /nfs/dbraw/zinc/59/17/47/815591747.db2.gz WKQAZYCCDYIATQ-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](O)C1 ZINC001083644793 815591758 /nfs/dbraw/zinc/59/17/58/815591758.db2.gz WKQAZYCCDYIATQ-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](O)C1 ZINC001083659787 815626408 /nfs/dbraw/zinc/62/64/08/815626408.db2.gz SKGMERODYMETQG-AHDPXTMNSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](O)C1 ZINC001083659787 815626417 /nfs/dbraw/zinc/62/64/17/815626417.db2.gz SKGMERODYMETQG-AHDPXTMNSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](O)C1 ZINC001083659255 815627214 /nfs/dbraw/zinc/62/72/14/815627214.db2.gz PJKFDCOLQLDCEL-OLZOCXBDSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](O)C1 ZINC001083659255 815627217 /nfs/dbraw/zinc/62/72/17/815627217.db2.gz PJKFDCOLQLDCEL-OLZOCXBDSA-N 1 2 273.336 0.107 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](O)C1 ZINC001083671016 815642439 /nfs/dbraw/zinc/64/24/39/815642439.db2.gz WWTCCJIJOBZIGI-OCCSQVGLSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](O)C1 ZINC001083671016 815642444 /nfs/dbraw/zinc/64/24/44/815642444.db2.gz WWTCCJIJOBZIGI-OCCSQVGLSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001030411194 816021814 /nfs/dbraw/zinc/02/18/14/816021814.db2.gz JGQARQRIJVEPNF-UHFFFAOYSA-N 1 2 275.356 0.470 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnn(C)c2C)C1 ZINC001030417811 816027458 /nfs/dbraw/zinc/02/74/58/816027458.db2.gz XRQHJDXWMSMHQY-UHFFFAOYSA-N 1 2 260.341 0.095 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001030453939 816045271 /nfs/dbraw/zinc/04/52/71/816045271.db2.gz QMUYSGCWNUVVKX-UHFFFAOYSA-N 1 2 299.330 0.455 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001030468238 816051530 /nfs/dbraw/zinc/05/15/30/816051530.db2.gz OAHGQCFBAUJHJT-UHFFFAOYSA-N 1 2 260.341 0.338 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001030574210 816116067 /nfs/dbraw/zinc/11/60/67/816116067.db2.gz UZKOCTCBYBTNEF-UHFFFAOYSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2OCCC3)C1 ZINC001030612293 816146146 /nfs/dbraw/zinc/14/61/46/816146146.db2.gz KTOMDNVYJRHJCJ-UHFFFAOYSA-N 1 2 274.324 0.103 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001030636629 816173822 /nfs/dbraw/zinc/17/38/22/816173822.db2.gz NBQTXDPKTSFEHA-OAHLLOKOSA-N 1 2 270.332 0.814 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001030725024 816251502 /nfs/dbraw/zinc/25/15/02/816251502.db2.gz MQFRPVSWBZCWLD-NEPJUHHUSA-N 1 2 279.384 0.668 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001030725025 816251794 /nfs/dbraw/zinc/25/17/94/816251794.db2.gz MQFRPVSWBZCWLD-NWDGAFQWSA-N 1 2 279.384 0.668 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001030773889 816280921 /nfs/dbraw/zinc/28/09/21/816280921.db2.gz WBBWQXYQTARLDI-UHFFFAOYSA-N 1 2 274.324 0.236 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@@H](O)C1 ZINC001083680401 816283317 /nfs/dbraw/zinc/28/33/17/816283317.db2.gz BCHVUPJELFMQAQ-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@@H](O)C1 ZINC001083680401 816283324 /nfs/dbraw/zinc/28/33/24/816283324.db2.gz BCHVUPJELFMQAQ-CABCVRRESA-N 1 2 290.338 0.932 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001030781495 816287333 /nfs/dbraw/zinc/28/73/33/816287333.db2.gz YLRLBOKSJNIJLV-LBPRGKRZSA-N 1 2 265.357 0.374 20 30 CCEDLO C#CCN1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001030833664 816328815 /nfs/dbraw/zinc/32/88/15/816328815.db2.gz VWUKEEVZHRJDLF-OAHLLOKOSA-N 1 2 291.395 0.063 20 30 CCEDLO C#CCN1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001030833664 816328822 /nfs/dbraw/zinc/32/88/22/816328822.db2.gz VWUKEEVZHRJDLF-OAHLLOKOSA-N 1 2 291.395 0.063 20 30 CCEDLO CSCCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001272459460 816446741 /nfs/dbraw/zinc/44/67/41/816446741.db2.gz KUIMKKGTIMIZMM-UHFFFAOYSA-N 1 2 297.424 0.956 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccn3ccnc23)C1 ZINC001030975290 816522661 /nfs/dbraw/zinc/52/26/61/816522661.db2.gz UMNPXGJRCLDFPJ-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001030985122 816534716 /nfs/dbraw/zinc/53/47/16/816534716.db2.gz WHUHTTQSPOWXTO-LLVKDONJSA-N 1 2 290.371 0.002 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001030998761 816543708 /nfs/dbraw/zinc/54/37/08/816543708.db2.gz IOBQPSYLIYYLRR-UHFFFAOYSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CCN1CC(NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001031034594 816588050 /nfs/dbraw/zinc/58/80/50/816588050.db2.gz WTZRQKUJPLOQJV-UHFFFAOYSA-N 1 2 291.395 0.065 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570488 816590318 /nfs/dbraw/zinc/59/03/18/816590318.db2.gz UMODTKGJLUXYHD-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570488 816590320 /nfs/dbraw/zinc/59/03/20/816590320.db2.gz UMODTKGJLUXYHD-CQSZACIVSA-N 1 2 275.356 0.805 20 30 CCEDLO CN1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699455499 816728225 /nfs/dbraw/zinc/72/82/25/816728225.db2.gz IOMYOOLMVXBCPK-LSDHHAIUSA-N 1 2 275.352 0.200 20 30 CCEDLO CN1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](CO)C1 ZINC000699455499 816728229 /nfs/dbraw/zinc/72/82/29/816728229.db2.gz IOMYOOLMVXBCPK-LSDHHAIUSA-N 1 2 275.352 0.200 20 30 CCEDLO C[C@@H](CCNc1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106362009 816748343 /nfs/dbraw/zinc/74/83/43/816748343.db2.gz HLVKNNFEPBKERD-LBPRGKRZSA-N 1 2 298.350 0.579 20 30 CCEDLO C[C@@H](CCNc1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426660 816768678 /nfs/dbraw/zinc/76/86/78/816768678.db2.gz NJNFLXJTNNEZAD-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001031249146 816887329 /nfs/dbraw/zinc/88/73/29/816887329.db2.gz STGYCQKFKDKKOU-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001031251330 816892770 /nfs/dbraw/zinc/89/27/70/816892770.db2.gz YJYQSMQROAWTKC-JTQLQIEISA-N 1 2 275.356 0.286 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](O)C1 ZINC001083756280 817011362 /nfs/dbraw/zinc/01/13/62/817011362.db2.gz MISPGHXSRLKFSP-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2CC)[C@@H](O)C1 ZINC001083756280 817011368 /nfs/dbraw/zinc/01/13/68/817011368.db2.gz MISPGHXSRLKFSP-OLZOCXBDSA-N 1 2 276.336 0.640 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123799103 817073710 /nfs/dbraw/zinc/07/37/10/817073710.db2.gz IUBWBHASGCAIHG-QMMMGPOBSA-N 1 2 283.357 0.402 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001031580726 817163018 /nfs/dbraw/zinc/16/30/18/817163018.db2.gz WVRNPUHFZNSFSG-QWRGUYRKSA-N 1 2 286.759 0.596 20 30 CCEDLO Cn1nccc1C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603074 817176341 /nfs/dbraw/zinc/17/63/41/817176341.db2.gz GJNPLFBTDLEAGF-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NCC3CN(CC#N)C3)ccn12 ZINC001031671330 817235111 /nfs/dbraw/zinc/23/51/11/817235111.db2.gz UDHWZGUMZZWMHN-UHFFFAOYSA-N 1 2 283.335 0.828 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031752417 817337022 /nfs/dbraw/zinc/33/70/22/817337022.db2.gz ZTSUXQNHTPBNOP-UHFFFAOYSA-N 1 2 282.731 0.596 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031969442 817507381 /nfs/dbraw/zinc/50/73/81/817507381.db2.gz INIURLSHAZZWDW-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032259187 817761214 /nfs/dbraw/zinc/76/12/14/817761214.db2.gz BJFVOPLJERJXGA-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032259187 817761215 /nfs/dbraw/zinc/76/12/15/817761215.db2.gz BJFVOPLJERJXGA-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[n+]([O-])cc1 ZINC001032264192 817762516 /nfs/dbraw/zinc/76/25/16/817762516.db2.gz WINSUDBJNBEHMT-KBPBESRZSA-N 1 2 271.320 0.242 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[n+]([O-])cc1 ZINC001032264192 817762525 /nfs/dbraw/zinc/76/25/25/817762525.db2.gz WINSUDBJNBEHMT-KBPBESRZSA-N 1 2 271.320 0.242 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)CC)nn2)C1 ZINC001107193960 817803443 /nfs/dbraw/zinc/80/34/43/817803443.db2.gz LQAFUNVLKSZERJ-LBPRGKRZSA-N 1 2 281.335 0.685 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001077590536 817852280 /nfs/dbraw/zinc/85/22/80/817852280.db2.gz BEUGUCUPDAXSOY-VXGBXAGGSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001077590536 817852294 /nfs/dbraw/zinc/85/22/94/817852294.db2.gz BEUGUCUPDAXSOY-VXGBXAGGSA-N 1 2 280.274 0.373 20 30 CCEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001107814956 818026733 /nfs/dbraw/zinc/02/67/33/818026733.db2.gz VSNPYTIUCVHYRX-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001107812447 818027660 /nfs/dbraw/zinc/02/76/60/818027660.db2.gz QFNUMNXPPOZZKE-LLVKDONJSA-N 1 2 284.323 0.188 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078734976 818037678 /nfs/dbraw/zinc/03/76/78/818037678.db2.gz WNSMORNQIXGLKG-VXGBXAGGSA-N 1 2 273.340 0.493 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 ZINC001078775816 818048638 /nfs/dbraw/zinc/04/86/38/818048638.db2.gz AEFHTEOVNLYCQV-OLZOCXBDSA-N 1 2 287.367 0.503 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H](O)C1 ZINC001083811147 818086655 /nfs/dbraw/zinc/08/66/55/818086655.db2.gz AOGPAGBEQYPXDP-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H](O)C1 ZINC001083811147 818086657 /nfs/dbraw/zinc/08/66/57/818086657.db2.gz AOGPAGBEQYPXDP-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CC1CC1)CC2 ZINC001128265270 818138822 /nfs/dbraw/zinc/13/88/22/818138822.db2.gz WNPNAVHONRHEFY-NSHDSACASA-N 1 2 287.367 0.885 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CC1CC1)CC2 ZINC001128265270 818138828 /nfs/dbraw/zinc/13/88/28/818138828.db2.gz WNPNAVHONRHEFY-NSHDSACASA-N 1 2 287.367 0.885 20 30 CCEDLO CC(C)[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128273308 818147163 /nfs/dbraw/zinc/14/71/63/818147163.db2.gz DAINBSFAFLFBSU-LLVKDONJSA-N 1 2 275.356 0.883 20 30 CCEDLO CC(C)[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128273308 818147170 /nfs/dbraw/zinc/14/71/70/818147170.db2.gz DAINBSFAFLFBSU-LLVKDONJSA-N 1 2 275.356 0.883 20 30 CCEDLO CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128273281 818147285 /nfs/dbraw/zinc/14/72/85/818147285.db2.gz CDLDRFISTUZCRI-NSHDSACASA-N 1 2 275.356 0.885 20 30 CCEDLO CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128273281 818147289 /nfs/dbraw/zinc/14/72/89/818147289.db2.gz CDLDRFISTUZCRI-NSHDSACASA-N 1 2 275.356 0.885 20 30 CCEDLO CC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347552 818199159 /nfs/dbraw/zinc/19/91/59/818199159.db2.gz YDQHYFOVUQMDEM-UHFFFAOYSA-N 1 2 272.352 0.748 20 30 CCEDLO CC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347552 818199166 /nfs/dbraw/zinc/19/91/66/818199166.db2.gz YDQHYFOVUQMDEM-UHFFFAOYSA-N 1 2 272.352 0.748 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(Cc3c[nH+]cn3C)C[C@@]2(F)C1=O ZINC001272996608 818283291 /nfs/dbraw/zinc/28/32/91/818283291.db2.gz KDWSXLFKEMYZSV-UONOGXRCSA-N 1 2 294.305 0.128 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061550 818430832 /nfs/dbraw/zinc/43/08/32/818430832.db2.gz SDZIEXRQNYOELU-RYUDHWBXSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090061550 818430839 /nfs/dbraw/zinc/43/08/39/818430839.db2.gz SDZIEXRQNYOELU-RYUDHWBXSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101410 818523799 /nfs/dbraw/zinc/52/37/99/818523799.db2.gz YGGAVLYBXAVVQS-KOLCDFICSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001090101410 818523805 /nfs/dbraw/zinc/52/38/05/818523805.db2.gz YGGAVLYBXAVVQS-KOLCDFICSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001033139468 818563608 /nfs/dbraw/zinc/56/36/08/818563608.db2.gz GKWGKDCXFMOUNQ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001033139468 818563614 /nfs/dbraw/zinc/56/36/14/818563614.db2.gz GKWGKDCXFMOUNQ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090128537 818681135 /nfs/dbraw/zinc/68/11/35/818681135.db2.gz FQIWRVXHNNNQMU-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090128537 818681145 /nfs/dbraw/zinc/68/11/45/818681145.db2.gz FQIWRVXHNNNQMU-PWSUYJOCSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090128536 818681325 /nfs/dbraw/zinc/68/13/25/818681325.db2.gz FQIWRVXHNNNQMU-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090128536 818681329 /nfs/dbraw/zinc/68/13/29/818681329.db2.gz FQIWRVXHNNNQMU-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2O)C1 ZINC001033803153 818948644 /nfs/dbraw/zinc/94/86/44/818948644.db2.gz FFJGUFAPJGCOKR-GFCCVEGCSA-N 1 2 273.336 0.957 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2O)C1 ZINC001033803153 818948650 /nfs/dbraw/zinc/94/86/50/818948650.db2.gz FFJGUFAPJGCOKR-GFCCVEGCSA-N 1 2 273.336 0.957 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189626 819070247 /nfs/dbraw/zinc/07/02/47/819070247.db2.gz PFQGHSVEZRZVOF-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090189626 819070250 /nfs/dbraw/zinc/07/02/50/819070250.db2.gz PFQGHSVEZRZVOF-JQWIXIFHSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348804 819179872 /nfs/dbraw/zinc/17/98/72/819179872.db2.gz FXTPQDXIOOFMDX-JTQLQIEISA-N 1 2 298.778 0.547 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348804 819179876 /nfs/dbraw/zinc/17/98/76/819179876.db2.gz FXTPQDXIOOFMDX-JTQLQIEISA-N 1 2 298.778 0.547 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953849 819217417 /nfs/dbraw/zinc/21/74/17/819217417.db2.gz XTBPDMMKSOSWHA-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953849 819217424 /nfs/dbraw/zinc/21/74/24/819217424.db2.gz XTBPDMMKSOSWHA-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001035281059 819447800 /nfs/dbraw/zinc/44/78/00/819447800.db2.gz KEDVIRPPKPVTOS-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001035281059 819447804 /nfs/dbraw/zinc/44/78/04/819447804.db2.gz KEDVIRPPKPVTOS-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2CC)C1 ZINC001035318162 819467045 /nfs/dbraw/zinc/46/70/45/819467045.db2.gz FRSAYDRWFBIMLP-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ncoc2CC)C1 ZINC001035318162 819467047 /nfs/dbraw/zinc/46/70/47/819467047.db2.gz FRSAYDRWFBIMLP-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035324585 819471933 /nfs/dbraw/zinc/47/19/33/819471933.db2.gz TVBAZIVDLDCIIL-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035324585 819471937 /nfs/dbraw/zinc/47/19/37/819471937.db2.gz TVBAZIVDLDCIIL-CYBMUJFWSA-N 1 2 290.367 0.480 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001035349470 819493830 /nfs/dbraw/zinc/49/38/30/819493830.db2.gz JMQYAXNNAAJKRW-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001035349470 819493833 /nfs/dbraw/zinc/49/38/33/819493833.db2.gz JMQYAXNNAAJKRW-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035353961 819494778 /nfs/dbraw/zinc/49/47/78/819494778.db2.gz QLLDREAJBLMHGR-CQSZACIVSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035353961 819494783 /nfs/dbraw/zinc/49/47/83/819494783.db2.gz QLLDREAJBLMHGR-CQSZACIVSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001035403311 819508236 /nfs/dbraw/zinc/50/82/36/819508236.db2.gz BNZZMBKTPUUJFL-IHRRRGAJSA-N 1 2 298.383 0.183 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001035403311 819508245 /nfs/dbraw/zinc/50/82/45/819508245.db2.gz BNZZMBKTPUUJFL-IHRRRGAJSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001035503582 819541653 /nfs/dbraw/zinc/54/16/53/819541653.db2.gz ZQMYJTVADPSDKN-GFCCVEGCSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001035503582 819541662 /nfs/dbraw/zinc/54/16/62/819541662.db2.gz ZQMYJTVADPSDKN-GFCCVEGCSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035600019 819573986 /nfs/dbraw/zinc/57/39/86/819573986.db2.gz JZPCQQNYSQQFKB-GFCCVEGCSA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035600019 819573987 /nfs/dbraw/zinc/57/39/87/819573987.db2.gz JZPCQQNYSQQFKB-GFCCVEGCSA-N 1 2 277.324 0.404 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC=C)CCO2)cn1 ZINC001035587146 819577801 /nfs/dbraw/zinc/57/78/01/819577801.db2.gz WVQXVXMMQUCHOT-OAHLLOKOSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCO2)cn1 ZINC001035587146 819577808 /nfs/dbraw/zinc/57/78/08/819577808.db2.gz WVQXVXMMQUCHOT-OAHLLOKOSA-N 1 2 285.347 0.680 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622790 819580862 /nfs/dbraw/zinc/58/08/62/819580862.db2.gz XVAQZBXYNNYHSC-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001035622790 819580868 /nfs/dbraw/zinc/58/08/68/819580868.db2.gz XVAQZBXYNNYHSC-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)C1=NC(=O)N(C)C1)CC2 ZINC001035785989 819624980 /nfs/dbraw/zinc/62/49/80/819624980.db2.gz YCENJOXHCMLZEQ-UHFFFAOYSA-N 1 2 290.367 0.850 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035860917 819637543 /nfs/dbraw/zinc/63/75/43/819637543.db2.gz JAFIVUWJURLAEA-UHFFFAOYSA-N 1 2 273.340 0.331 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000708107730 819756855 /nfs/dbraw/zinc/75/68/55/819756855.db2.gz YLWIWRHHTULYPS-UHFFFAOYSA-N 1 2 276.340 0.425 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036701810 820050191 /nfs/dbraw/zinc/05/01/91/820050191.db2.gz CQSXCFNDUQUGIK-STQMWFEESA-N 1 2 287.367 0.789 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001080197857 820530422 /nfs/dbraw/zinc/53/04/22/820530422.db2.gz PNYLXDRZYQHMEX-FRRDWIJNSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001080197857 820530428 /nfs/dbraw/zinc/53/04/28/820530428.db2.gz PNYLXDRZYQHMEX-FRRDWIJNSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCCC(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080347325 820555506 /nfs/dbraw/zinc/55/55/06/820555506.db2.gz NRODXAQOSGGRNT-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080419110 820572088 /nfs/dbraw/zinc/57/20/88/820572088.db2.gz LRFHPZYVZURAGI-NQBHXWOUSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@H](OC)C1 ZINC001081826865 820835542 /nfs/dbraw/zinc/83/55/42/820835542.db2.gz DZWWNJZKASJDND-ZIAGYGMSSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@H](OC)C1 ZINC001081826865 820835553 /nfs/dbraw/zinc/83/55/53/820835553.db2.gz DZWWNJZKASJDND-ZIAGYGMSSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H](OC)C1 ZINC001081818622 820846762 /nfs/dbraw/zinc/84/67/62/820846762.db2.gz PQGWMTJPNPTUBQ-ZIAGYGMSSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H](OC)C1 ZINC001081818622 820846776 /nfs/dbraw/zinc/84/67/76/820846776.db2.gz PQGWMTJPNPTUBQ-ZIAGYGMSSA-N 1 2 298.346 0.625 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC001118753877 820866849 /nfs/dbraw/zinc/86/68/49/820866849.db2.gz ANGJYIQFJBWRHA-NXEZZACHSA-N 1 2 260.297 0.011 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001082273252 820929133 /nfs/dbraw/zinc/92/91/33/820929133.db2.gz MRTBYNDBKHCUCO-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001082273252 820929139 /nfs/dbraw/zinc/92/91/39/820929139.db2.gz MRTBYNDBKHCUCO-CHWSQXEVSA-N 1 2 291.326 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@H](OC)C1 ZINC001082277264 820933057 /nfs/dbraw/zinc/93/30/57/820933057.db2.gz ZRBBPFUONVLHKX-NFAWXSAZSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@H](OC)C1 ZINC001082277264 820933059 /nfs/dbraw/zinc/93/30/59/820933059.db2.gz ZRBBPFUONVLHKX-NFAWXSAZSA-N 1 2 280.368 0.252 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)no3)[C@H]2C1 ZINC001082997673 821098796 /nfs/dbraw/zinc/09/87/96/821098796.db2.gz GPAZQSHYCWNCPN-GXTWGEPZSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)no3)[C@H]2C1 ZINC001082997673 821098805 /nfs/dbraw/zinc/09/88/05/821098805.db2.gz GPAZQSHYCWNCPN-GXTWGEPZSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC)[C@H]2C1 ZINC001083005716 821117296 /nfs/dbraw/zinc/11/72/96/821117296.db2.gz IMFHAYYBORAPJI-FRRDWIJNSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC)[C@H]2C1 ZINC001083005716 821117304 /nfs/dbraw/zinc/11/73/04/821117304.db2.gz IMFHAYYBORAPJI-FRRDWIJNSA-N 1 2 250.342 0.577 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1 ZINC001083040645 821124432 /nfs/dbraw/zinc/12/44/32/821124432.db2.gz WTGRVWMRLWHELI-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1 ZINC001083040645 821124438 /nfs/dbraw/zinc/12/44/38/821124438.db2.gz WTGRVWMRLWHELI-LSDHHAIUSA-N 1 2 298.346 0.435 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccc(C)n3)[C@H]2C1 ZINC001083065632 821135061 /nfs/dbraw/zinc/13/50/61/821135061.db2.gz LCELPVCEDIPKQV-QWHCGFSZSA-N 1 2 288.351 0.496 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccc(C)n3)[C@H]2C1 ZINC001083065632 821135066 /nfs/dbraw/zinc/13/50/66/821135066.db2.gz LCELPVCEDIPKQV-QWHCGFSZSA-N 1 2 288.351 0.496 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csnn3)[C@H]2C1 ZINC001083155529 821148611 /nfs/dbraw/zinc/14/86/11/821148611.db2.gz ZGPZIUZVXOUONF-NWDGAFQWSA-N 1 2 292.364 0.087 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csnn3)[C@H]2C1 ZINC001083155529 821148617 /nfs/dbraw/zinc/14/86/17/821148617.db2.gz ZGPZIUZVXOUONF-NWDGAFQWSA-N 1 2 292.364 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC)[C@H]2C1 ZINC001083165296 821151605 /nfs/dbraw/zinc/15/16/05/821151605.db2.gz SZTYFKDOBYGDSZ-GRYCIOLGSA-N 1 2 254.305 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC)[C@H]2C1 ZINC001083165296 821151610 /nfs/dbraw/zinc/15/16/10/821151610.db2.gz SZTYFKDOBYGDSZ-GRYCIOLGSA-N 1 2 254.305 0.279 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001083991556 821169710 /nfs/dbraw/zinc/16/97/10/821169710.db2.gz RZQFCVIPDFZIEA-OLZOCXBDSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001083991556 821169713 /nfs/dbraw/zinc/16/97/13/821169713.db2.gz RZQFCVIPDFZIEA-OLZOCXBDSA-N 1 2 294.301 0.763 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001083974870 821175309 /nfs/dbraw/zinc/17/53/09/821175309.db2.gz KXMMBCPIVBWVSH-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001083974870 821175314 /nfs/dbraw/zinc/17/53/14/821175314.db2.gz KXMMBCPIVBWVSH-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001084098598 821199040 /nfs/dbraw/zinc/19/90/40/821199040.db2.gz MOKUXOSXEQDIMP-CVEARBPZSA-N 1 2 284.359 0.972 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001084098598 821199043 /nfs/dbraw/zinc/19/90/43/821199043.db2.gz MOKUXOSXEQDIMP-CVEARBPZSA-N 1 2 284.359 0.972 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001108193579 821239971 /nfs/dbraw/zinc/23/99/71/821239971.db2.gz JZJHLIRJMXEJTG-GJZGRUSLSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001108193579 821239975 /nfs/dbraw/zinc/23/99/75/821239975.db2.gz JZJHLIRJMXEJTG-GJZGRUSLSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001084763239 821379234 /nfs/dbraw/zinc/37/92/34/821379234.db2.gz GJEMMQINAIPIES-GHMZBOCLSA-N 1 2 261.329 0.066 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001084763239 821379243 /nfs/dbraw/zinc/37/92/43/821379243.db2.gz GJEMMQINAIPIES-GHMZBOCLSA-N 1 2 261.329 0.066 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231087753 821490163 /nfs/dbraw/zinc/49/01/63/821490163.db2.gz VMOQKKQORAYPAU-GXTWGEPZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC1CC1 ZINC001231087753 821490165 /nfs/dbraw/zinc/49/01/65/821490165.db2.gz VMOQKKQORAYPAU-GXTWGEPZSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001085492156 821737890 /nfs/dbraw/zinc/73/78/90/821737890.db2.gz PLUKVGOSZWKSGT-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001085492156 821737894 /nfs/dbraw/zinc/73/78/94/821737894.db2.gz PLUKVGOSZWKSGT-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nn1C ZINC001085504205 821753051 /nfs/dbraw/zinc/75/30/51/821753051.db2.gz RAGHPIWNBKSAOY-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nn1C ZINC001085504205 821753054 /nfs/dbraw/zinc/75/30/54/821753054.db2.gz RAGHPIWNBKSAOY-LBPRGKRZSA-N 1 2 260.341 0.508 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643688 821867630 /nfs/dbraw/zinc/86/76/30/821867630.db2.gz VTJIMCPITRJCKN-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643688 821867638 /nfs/dbraw/zinc/86/76/38/821867638.db2.gz VTJIMCPITRJCKN-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085716483 821917620 /nfs/dbraw/zinc/91/76/20/821917620.db2.gz MZLDLGFZVXKBEC-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085716483 821917627 /nfs/dbraw/zinc/91/76/27/821917627.db2.gz MZLDLGFZVXKBEC-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001085724880 821919489 /nfs/dbraw/zinc/91/94/89/821919489.db2.gz IEGJFLFDAYXMTM-NSHDSACASA-N 1 2 291.351 0.716 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001085724880 821919499 /nfs/dbraw/zinc/91/94/99/821919499.db2.gz IEGJFLFDAYXMTM-NSHDSACASA-N 1 2 291.351 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085857583 821982060 /nfs/dbraw/zinc/98/20/60/821982060.db2.gz CEAJOWFIILKMSC-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085857583 821982067 /nfs/dbraw/zinc/98/20/67/821982067.db2.gz CEAJOWFIILKMSC-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878886 821993375 /nfs/dbraw/zinc/99/33/75/821993375.db2.gz PVYAKMGWBYFWQN-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878886 821993380 /nfs/dbraw/zinc/99/33/80/821993380.db2.gz PVYAKMGWBYFWQN-CYBMUJFWSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085884370 821998348 /nfs/dbraw/zinc/99/83/48/821998348.db2.gz AOBZQDICGVATOL-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085884370 821998353 /nfs/dbraw/zinc/99/83/53/821998353.db2.gz AOBZQDICGVATOL-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085908306 822010520 /nfs/dbraw/zinc/01/05/20/822010520.db2.gz GDTDVDJRAQFUGO-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085908306 822010527 /nfs/dbraw/zinc/01/05/27/822010527.db2.gz GDTDVDJRAQFUGO-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO CCn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114255929 837490732 /nfs/dbraw/zinc/49/07/32/837490732.db2.gz QSAUIDCLFRUURA-QLPKVWCKSA-N 1 2 298.390 0.863 20 30 CCEDLO CCn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114255929 837490736 /nfs/dbraw/zinc/49/07/36/837490736.db2.gz QSAUIDCLFRUURA-QLPKVWCKSA-N 1 2 298.390 0.863 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090482351 837704658 /nfs/dbraw/zinc/70/46/58/837704658.db2.gz MAJYXWHEURYKPQ-VHSXEESVSA-N 1 2 299.762 0.031 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001090482351 837704664 /nfs/dbraw/zinc/70/46/64/837704664.db2.gz MAJYXWHEURYKPQ-VHSXEESVSA-N 1 2 299.762 0.031 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cncn2C)C1 ZINC001108343690 835981396 /nfs/dbraw/zinc/98/13/96/835981396.db2.gz XQWYYDMHRYJFBC-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cncn2C)C1 ZINC001108343690 835981405 /nfs/dbraw/zinc/98/14/05/835981405.db2.gz XQWYYDMHRYJFBC-OAHLLOKOSA-N 1 2 292.383 0.356 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(F)c(C#N)c2)C[NH2+]1 ZINC001169132315 836146592 /nfs/dbraw/zinc/14/65/92/836146592.db2.gz KCSIVEXZJCDLOB-ZJUUUORDSA-N 1 2 264.260 0.408 20 30 CCEDLO CCc1nc(C#N)cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)n1 ZINC001169131298 836147140 /nfs/dbraw/zinc/14/71/40/836147140.db2.gz YHZRCOHKSKQDCZ-ZJUUUORDSA-N 1 2 275.312 0.226 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)ncc1C(N)=O ZINC001156321348 836284896 /nfs/dbraw/zinc/28/48/96/836284896.db2.gz ZXDXECSLOWUBEW-ZETCQYMHSA-N 1 2 265.704 0.136 20 30 CCEDLO COC(=O)CSc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327589 836292935 /nfs/dbraw/zinc/29/29/35/836292935.db2.gz GXSQYIIBTZJOTH-JTQLQIEISA-N 1 2 292.364 0.648 20 30 CCEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001108881078 836558499 /nfs/dbraw/zinc/55/84/99/836558499.db2.gz WUHVBPMPJUWRRQ-VHSXEESVSA-N 1 2 261.329 0.886 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109038581 836605581 /nfs/dbraw/zinc/60/55/81/836605581.db2.gz UGCRTDWSUXUYMH-NDBYEHHHSA-N 1 2 295.383 0.174 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109038581 836605588 /nfs/dbraw/zinc/60/55/88/836605588.db2.gz UGCRTDWSUXUYMH-NDBYEHHHSA-N 1 2 295.383 0.174 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC)C2 ZINC001109074018 836610590 /nfs/dbraw/zinc/61/05/90/836610590.db2.gz HGFBPPLZAPPUHF-WOPDTQHZSA-N 1 2 299.802 0.987 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC)C2 ZINC001109074018 836610596 /nfs/dbraw/zinc/61/05/96/836610596.db2.gz HGFBPPLZAPPUHF-WOPDTQHZSA-N 1 2 299.802 0.987 20 30 CCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109120085 836619482 /nfs/dbraw/zinc/61/94/82/836619482.db2.gz BISIIYCEAHFICY-AGIUHOORSA-N 1 2 295.383 0.176 20 30 CCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109120085 836619489 /nfs/dbraw/zinc/61/94/89/836619489.db2.gz BISIIYCEAHFICY-AGIUHOORSA-N 1 2 295.383 0.176 20 30 CCEDLO C/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109129889 836622305 /nfs/dbraw/zinc/62/23/05/836622305.db2.gz NALUZLRAERJMLY-BVOOPDPWSA-N 1 2 290.367 0.314 20 30 CCEDLO C/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109129889 836622310 /nfs/dbraw/zinc/62/23/10/836622310.db2.gz NALUZLRAERJMLY-BVOOPDPWSA-N 1 2 290.367 0.314 20 30 CCEDLO C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255084 836648024 /nfs/dbraw/zinc/64/80/24/836648024.db2.gz LLLCQISJCNPLDQ-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255129 836648201 /nfs/dbraw/zinc/64/82/01/836648201.db2.gz MTSRSDJFINTBTE-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109579419 836698624 /nfs/dbraw/zinc/69/86/24/836698624.db2.gz UTWWPQZJEDJBQS-AGIUHOORSA-N 1 2 273.340 0.518 20 30 CCEDLO C=C(CC(=O)OCCCC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001184312543 844200538 /nfs/dbraw/zinc/20/05/38/844200538.db2.gz UYLCQFUUNOSEGL-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO C=C(CC(=O)OCCCC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001184312543 844200544 /nfs/dbraw/zinc/20/05/44/844200544.db2.gz UYLCQFUUNOSEGL-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001112757962 836897197 /nfs/dbraw/zinc/89/71/97/836897197.db2.gz ZYQLFTBXJIWMPF-UHFFFAOYSA-N 1 2 293.371 0.084 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112801595 836920705 /nfs/dbraw/zinc/92/07/05/836920705.db2.gz XUSCTNOBCHJFKD-HNNXBMFYSA-N 1 2 292.383 0.391 20 30 CCEDLO C#CCC1(C(=O)N2CC[NH+](CCOCCO)CC2)CCC1 ZINC001112950975 836977274 /nfs/dbraw/zinc/97/72/74/836977274.db2.gz IHFGIAGMYYYZGZ-UHFFFAOYSA-N 1 2 294.395 0.333 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC001113521692 837146897 /nfs/dbraw/zinc/14/68/97/837146897.db2.gz ANCBNBWWXNYRNX-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)C#CC2CC2)no1 ZINC001157682498 837235710 /nfs/dbraw/zinc/23/57/10/837235710.db2.gz JECVAKXHIFHUFZ-JTQLQIEISA-N 1 2 276.340 0.948 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130746013 837912501 /nfs/dbraw/zinc/91/25/01/837912501.db2.gz XIVOZEDHVSRXEK-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130746013 837912505 /nfs/dbraw/zinc/91/25/05/837912505.db2.gz XIVOZEDHVSRXEK-UHFFFAOYSA-N 1 2 270.296 0.196 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130978195 837964112 /nfs/dbraw/zinc/96/41/12/837964112.db2.gz WSCVBPNTYIFKCS-ZIAGYGMSSA-N 1 2 299.378 0.631 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131751826 838204851 /nfs/dbraw/zinc/20/48/51/838204851.db2.gz NIYFKZGLCPWZBR-STQMWFEESA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131751826 838204866 /nfs/dbraw/zinc/20/48/66/838204866.db2.gz NIYFKZGLCPWZBR-STQMWFEESA-N 1 2 294.399 0.641 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131950280 838277336 /nfs/dbraw/zinc/27/73/36/838277336.db2.gz JXDLZYWDAFRCCA-UDLQBDOPSA-N 1 2 292.383 0.561 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131950280 838277340 /nfs/dbraw/zinc/27/73/40/838277340.db2.gz JXDLZYWDAFRCCA-UDLQBDOPSA-N 1 2 292.383 0.561 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132022286 838292750 /nfs/dbraw/zinc/29/27/50/838292750.db2.gz XSQULXQOHLXKLL-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132022286 838292757 /nfs/dbraw/zinc/29/27/57/838292757.db2.gz XSQULXQOHLXKLL-NWDGAFQWSA-N 1 2 265.357 0.100 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033422 838302630 /nfs/dbraw/zinc/30/26/30/838302630.db2.gz GBNYEZKKFLXCNJ-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033422 838302638 /nfs/dbraw/zinc/30/26/38/838302638.db2.gz GBNYEZKKFLXCNJ-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132046004 838310345 /nfs/dbraw/zinc/31/03/45/838310345.db2.gz LHVJNOANVTXKMI-JSGCOSHPSA-N 1 2 291.395 0.505 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132046004 838310356 /nfs/dbraw/zinc/31/03/56/838310356.db2.gz LHVJNOANVTXKMI-JSGCOSHPSA-N 1 2 291.395 0.505 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132530317 838424445 /nfs/dbraw/zinc/42/44/45/838424445.db2.gz WPBGYPYEEGJJFV-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132530317 838424449 /nfs/dbraw/zinc/42/44/49/838424449.db2.gz WPBGYPYEEGJJFV-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514718 838791956 /nfs/dbraw/zinc/79/19/56/838791956.db2.gz OYQLGEWKGVEXAJ-NEPJUHHUSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514718 838791960 /nfs/dbraw/zinc/79/19/60/838791960.db2.gz OYQLGEWKGVEXAJ-NEPJUHHUSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001253572978 849503353 /nfs/dbraw/zinc/50/33/53/849503353.db2.gz RCKYZNSBYKTEKQ-CIUDSAMLSA-N 1 2 257.227 0.871 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001253572978 849503363 /nfs/dbraw/zinc/50/33/63/849503363.db2.gz RCKYZNSBYKTEKQ-CIUDSAMLSA-N 1 2 257.227 0.871 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001135147964 839168623 /nfs/dbraw/zinc/16/86/23/839168623.db2.gz VYOFJGPONRZLMY-JSGCOSHPSA-N 1 2 290.367 0.664 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001144069000 839924868 /nfs/dbraw/zinc/92/48/68/839924868.db2.gz AUBRDYFBKDPZGR-LLVKDONJSA-N 1 2 268.357 0.904 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001144069000 839924869 /nfs/dbraw/zinc/92/48/69/839924869.db2.gz AUBRDYFBKDPZGR-LLVKDONJSA-N 1 2 268.357 0.904 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091228097 840150859 /nfs/dbraw/zinc/15/08/59/840150859.db2.gz YCTCTKUWXSUVKL-MCIGGMRASA-N 1 2 287.367 0.838 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001171364103 840952973 /nfs/dbraw/zinc/95/29/73/840952973.db2.gz XFALSQCCNMCDKU-KGFZYKRKSA-N 1 2 278.268 0.061 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(N(C)C)c[nH+]1 ZINC001171366076 840960628 /nfs/dbraw/zinc/96/06/28/840960628.db2.gz RVOPOPPABLXXNX-KWQFWETISA-N 1 2 250.302 0.796 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)CCCn1cc[nH+]c1 ZINC001093714968 841444710 /nfs/dbraw/zinc/44/47/10/841444710.db2.gz WNOIVJHWPCDFDR-UHFFFAOYSA-N 1 2 299.338 0.553 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1nccnc1C#N ZINC001093776322 841467982 /nfs/dbraw/zinc/46/79/82/841467982.db2.gz ASGLWOQADCXDJT-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001093829648 841471752 /nfs/dbraw/zinc/47/17/52/841471752.db2.gz SAAKBRBXLISZHR-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001094150526 841549396 /nfs/dbraw/zinc/54/93/96/841549396.db2.gz MLTPMFPHAXFSNR-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094224878 841571096 /nfs/dbraw/zinc/57/10/96/841571096.db2.gz FYAMRHPXGDARPC-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094224878 841571102 /nfs/dbraw/zinc/57/11/02/841571102.db2.gz FYAMRHPXGDARPC-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001094225458 841571915 /nfs/dbraw/zinc/57/19/15/841571915.db2.gz VXQUOBSEKNKOGE-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001094225458 841571923 /nfs/dbraw/zinc/57/19/23/841571923.db2.gz VXQUOBSEKNKOGE-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc[nH]c3)nn2)C1 ZINC001094293302 841600833 /nfs/dbraw/zinc/60/08/33/841600833.db2.gz JEIMKPAHSKJENO-UHFFFAOYSA-N 1 2 286.339 0.579 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC34CC4)nn2)C1 ZINC001094322645 841615851 /nfs/dbraw/zinc/61/58/51/841615851.db2.gz IDXITQXVMVLNDL-AWEZNQCLSA-N 1 2 299.378 0.574 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC3CC3)CC2=O)C1 ZINC001094693909 841705105 /nfs/dbraw/zinc/70/51/05/841705105.db2.gz VIYRKOZCDCCNDO-GFCCVEGCSA-N 1 2 277.368 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CC3CC3)CC2=O)C1 ZINC001094692298 841705193 /nfs/dbraw/zinc/70/51/93/841705193.db2.gz BDLFINNDVRAXDY-CYBMUJFWSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(F)F)CC2=O)C1 ZINC001094695746 841706360 /nfs/dbraw/zinc/70/63/60/841706360.db2.gz XTFFFJJLADJDCF-SECBINFHSA-N 1 2 287.310 0.229 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C=C3CCC3)CC2=O)C1 ZINC001094722330 841709228 /nfs/dbraw/zinc/70/92/28/841709228.db2.gz RITUWCCHGDBOBU-ZDUSSCGKSA-N 1 2 289.379 0.684 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001094809049 841729288 /nfs/dbraw/zinc/72/92/88/841729288.db2.gz URWTZNYVEHPCSD-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172507842 841936095 /nfs/dbraw/zinc/93/60/95/841936095.db2.gz ZFRCCSWDZGYCGR-RYUDHWBXSA-N 1 2 281.356 0.822 20 30 CCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1[C@@H](C)CCCC#N ZINC001172507842 841936099 /nfs/dbraw/zinc/93/60/99/841936099.db2.gz ZFRCCSWDZGYCGR-RYUDHWBXSA-N 1 2 281.356 0.822 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001110169142 842048478 /nfs/dbraw/zinc/04/84/78/842048478.db2.gz GZABNYUIUDQZIA-UHFFFAOYSA-N 1 2 297.322 0.306 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001110169466 842051122 /nfs/dbraw/zinc/05/11/22/842051122.db2.gz SIQLVIGTQNAFEI-UHFFFAOYSA-N 1 2 296.334 0.911 20 30 CCEDLO N#Cc1cncc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001110169382 842052345 /nfs/dbraw/zinc/05/23/45/842052345.db2.gz PIFCZHYMZLNHKH-UHFFFAOYSA-N 1 2 297.322 0.306 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)N3C[C@@H](F)C[C@H]3C#N)cc2C1 ZINC001175078475 842228087 /nfs/dbraw/zinc/22/80/87/842228087.db2.gz YXTACFWBOUDBQY-QWRGUYRKSA-N 1 2 291.330 0.795 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)N3C[C@@H](F)C[C@H]3C#N)cc2C1 ZINC001175078475 842228102 /nfs/dbraw/zinc/22/81/02/842228102.db2.gz YXTACFWBOUDBQY-QWRGUYRKSA-N 1 2 291.330 0.795 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001176883494 842438995 /nfs/dbraw/zinc/43/89/95/842438995.db2.gz YSJTWKMEUIMLEB-GJZGRUSLSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001176883494 842439000 /nfs/dbraw/zinc/43/90/00/842439000.db2.gz YSJTWKMEUIMLEB-GJZGRUSLSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001176883497 842440507 /nfs/dbraw/zinc/44/05/07/842440507.db2.gz YSJTWKMEUIMLEB-HUUCEWRRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001176883497 842440513 /nfs/dbraw/zinc/44/05/13/842440513.db2.gz YSJTWKMEUIMLEB-HUUCEWRRSA-N 1 2 294.395 0.901 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929094 842452431 /nfs/dbraw/zinc/45/24/31/842452431.db2.gz COYWBGPRKHSYEK-VXGBXAGGSA-N 1 2 283.397 0.565 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CSCC#N)C[C@H]21 ZINC001176929094 842452435 /nfs/dbraw/zinc/45/24/35/842452435.db2.gz COYWBGPRKHSYEK-VXGBXAGGSA-N 1 2 283.397 0.565 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949286 842466050 /nfs/dbraw/zinc/46/60/50/842466050.db2.gz LQOLEPDOORLPHQ-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949286 842466057 /nfs/dbraw/zinc/46/60/57/842466057.db2.gz LQOLEPDOORLPHQ-CABCVRRESA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949287 842466566 /nfs/dbraw/zinc/46/65/66/842466566.db2.gz LQOLEPDOORLPHQ-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949287 842466572 /nfs/dbraw/zinc/46/65/72/842466572.db2.gz LQOLEPDOORLPHQ-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957016 842469028 /nfs/dbraw/zinc/46/90/28/842469028.db2.gz MNUUSYWMCAWRGL-KGLIPLIRSA-N 1 2 299.378 0.622 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019233 842485539 /nfs/dbraw/zinc/48/55/39/842485539.db2.gz JOLBLTSWBYITGS-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177019233 842485541 /nfs/dbraw/zinc/48/55/41/842485541.db2.gz JOLBLTSWBYITGS-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO N#Cc1cnc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001110206731 842572939 /nfs/dbraw/zinc/57/29/39/842572939.db2.gz DGXQGXVXGSAHGR-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO N#Cc1c(N)nn(C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1N ZINC001178100670 842755038 /nfs/dbraw/zinc/75/50/38/842755038.db2.gz BVXSRTSHIXBUDJ-SSDOTTSWSA-N 1 2 271.284 0.018 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001178336221 842812130 /nfs/dbraw/zinc/81/21/30/842812130.db2.gz VVNSKWRBMJPKBR-JQWIXIFHSA-N 1 2 294.355 0.660 20 30 CCEDLO CC#CC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001179752525 843047714 /nfs/dbraw/zinc/04/77/14/843047714.db2.gz WEGOOCFXZKGEFB-UHFFFAOYSA-N 1 2 284.323 0.279 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](CCC(=O)OCC)C2 ZINC001273466988 843288474 /nfs/dbraw/zinc/28/84/74/843288474.db2.gz MPEWLPOQFLJYBG-UHFFFAOYSA-N 1 2 282.340 0.039 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC001182389569 843802899 /nfs/dbraw/zinc/80/28/99/843802899.db2.gz SRZSLQFSYNUKAX-GFCCVEGCSA-N 1 2 276.340 0.728 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182489552 843850525 /nfs/dbraw/zinc/85/05/25/843850525.db2.gz KPWKQEZUSRMKOC-GFCCVEGCSA-N 1 2 292.339 0.108 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001188287590 844863007 /nfs/dbraw/zinc/86/30/07/844863007.db2.gz OCYKFDHDDVYAQG-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001190968461 845554092 /nfs/dbraw/zinc/55/40/92/845554092.db2.gz FSPFTOZXDSPZIP-RBSFLKMASA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001190968461 845554097 /nfs/dbraw/zinc/55/40/97/845554097.db2.gz FSPFTOZXDSPZIP-RBSFLKMASA-N 1 2 292.379 0.154 20 30 CCEDLO Cc1ncc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1C#N ZINC001192300809 845811087 /nfs/dbraw/zinc/81/10/87/845811087.db2.gz YSFOSGWMRZCWKL-CYBMUJFWSA-N 1 2 285.307 0.318 20 30 CCEDLO Cc1ncc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1C#N ZINC001192300809 845811090 /nfs/dbraw/zinc/81/10/90/845811090.db2.gz YSFOSGWMRZCWKL-CYBMUJFWSA-N 1 2 285.307 0.318 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001193008164 845957443 /nfs/dbraw/zinc/95/74/43/845957443.db2.gz BJYPRHRBFVZZAV-UHFFFAOYSA-N 1 2 268.273 0.416 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1cnccc1C#N ZINC001192979460 845961665 /nfs/dbraw/zinc/96/16/65/845961665.db2.gz KSVZZECITIYVBD-UHFFFAOYSA-N 1 2 285.307 0.726 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001193178184 846000909 /nfs/dbraw/zinc/00/09/09/846000909.db2.gz CWNUVEBCTURSJE-SECBINFHSA-N 1 2 266.326 0.102 20 30 CCEDLO CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001273654950 846035591 /nfs/dbraw/zinc/03/55/91/846035591.db2.gz JMPFZZYINAHQAH-CHWSQXEVSA-N 1 2 295.383 0.532 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001193258242 846036915 /nfs/dbraw/zinc/03/69/15/846036915.db2.gz BOFNGSAXBPHDGA-VXGBXAGGSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001193258242 846036924 /nfs/dbraw/zinc/03/69/24/846036924.db2.gz BOFNGSAXBPHDGA-VXGBXAGGSA-N 1 2 252.358 0.463 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629856 846334272 /nfs/dbraw/zinc/33/42/72/846334272.db2.gz SZJVZUYKCMFSGL-GFCCVEGCSA-N 1 2 299.390 0.960 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629856 846334275 /nfs/dbraw/zinc/33/42/75/846334275.db2.gz SZJVZUYKCMFSGL-GFCCVEGCSA-N 1 2 299.390 0.960 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001194944699 846423507 /nfs/dbraw/zinc/42/35/07/846423507.db2.gz DVNWVHYKSCHNKR-UHFFFAOYSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001194944699 846423513 /nfs/dbraw/zinc/42/35/13/846423513.db2.gz DVNWVHYKSCHNKR-UHFFFAOYSA-N 1 2 299.802 0.799 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195443544 846532238 /nfs/dbraw/zinc/53/22/38/846532238.db2.gz DRXMUMSTDHBFCN-CYBMUJFWSA-N 1 2 297.399 0.377 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195443544 846532243 /nfs/dbraw/zinc/53/22/43/846532243.db2.gz DRXMUMSTDHBFCN-CYBMUJFWSA-N 1 2 297.399 0.377 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195566942 846583327 /nfs/dbraw/zinc/58/33/27/846583327.db2.gz FSWBTDLFFNIQJM-RBSFLKMASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195566942 846583336 /nfs/dbraw/zinc/58/33/36/846583336.db2.gz FSWBTDLFFNIQJM-RBSFLKMASA-N 1 2 294.395 0.400 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001195981054 846656295 /nfs/dbraw/zinc/65/62/95/846656295.db2.gz MQEKYEQVMNUBJB-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001195981054 846656298 /nfs/dbraw/zinc/65/62/98/846656298.db2.gz MQEKYEQVMNUBJB-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2O)C1 ZINC001196029825 846677300 /nfs/dbraw/zinc/67/73/00/846677300.db2.gz JYCTXUGBMKFWKT-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2O)C1 ZINC001196029825 846677302 /nfs/dbraw/zinc/67/73/02/846677302.db2.gz JYCTXUGBMKFWKT-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1ncccc1C#N ZINC001196563337 846767770 /nfs/dbraw/zinc/76/77/70/846767770.db2.gz DKLJXIQHGWNYDT-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196855268 846811264 /nfs/dbraw/zinc/81/12/64/846811264.db2.gz ZRYGXRFQQWCLSS-RYUDHWBXSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196855268 846811270 /nfs/dbraw/zinc/81/12/70/846811270.db2.gz ZRYGXRFQQWCLSS-RYUDHWBXSA-N 1 2 267.373 0.464 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001196910274 846819062 /nfs/dbraw/zinc/81/90/62/846819062.db2.gz LSHTUDBPDBMGJG-OAHLLOKOSA-N 1 2 298.358 0.299 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001196910274 846819074 /nfs/dbraw/zinc/81/90/74/846819074.db2.gz LSHTUDBPDBMGJG-OAHLLOKOSA-N 1 2 298.358 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001197266940 846888892 /nfs/dbraw/zinc/88/88/92/846888892.db2.gz PYTCFQAWKNTFPC-YNEHKIRRSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001197266940 846888900 /nfs/dbraw/zinc/88/89/00/846888900.db2.gz PYTCFQAWKNTFPC-YNEHKIRRSA-N 1 2 252.358 0.607 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001198343484 847089866 /nfs/dbraw/zinc/08/98/66/847089866.db2.gz KZZCFWXKXCWKPL-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001198343484 847089875 /nfs/dbraw/zinc/08/98/75/847089875.db2.gz KZZCFWXKXCWKPL-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001198842147 847189636 /nfs/dbraw/zinc/18/96/36/847189636.db2.gz QRXOUFLRCBMYLP-VXGBXAGGSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001198842147 847189639 /nfs/dbraw/zinc/18/96/39/847189639.db2.gz QRXOUFLRCBMYLP-VXGBXAGGSA-N 1 2 252.358 0.607 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCn1ccnc1)C2 ZINC001273784805 847402110 /nfs/dbraw/zinc/40/21/10/847402110.db2.gz JLKRTLVLXPNTDT-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=C(C)CN1C(=O)COCC12CN(CCn1cc[nH+]c1)C2 ZINC001273784805 847402120 /nfs/dbraw/zinc/40/21/20/847402120.db2.gz JLKRTLVLXPNTDT-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(CCn3cc[nH+]c3)C[C@@]2(F)C1=O ZINC001273784823 847402649 /nfs/dbraw/zinc/40/26/49/847402649.db2.gz JVJRPKUKKXYHLD-UONOGXRCSA-N 1 2 294.305 0.091 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110542841 847457396 /nfs/dbraw/zinc/45/73/96/847457396.db2.gz AZHXCQZUBSFJDD-UTUOFQBUSA-N 1 2 277.368 0.243 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110542841 847457400 /nfs/dbraw/zinc/45/74/00/847457400.db2.gz AZHXCQZUBSFJDD-UTUOFQBUSA-N 1 2 277.368 0.243 20 30 CCEDLO N#C[C@@H]1CN(C(=S)NCC[NH+]2CCCCC2)CCC1=O ZINC001200424767 847635180 /nfs/dbraw/zinc/63/51/80/847635180.db2.gz CCCXZPCGGWGCCJ-GFCCVEGCSA-N 1 2 294.424 0.761 20 30 CCEDLO N#CC1CN(C(=S)NCC[NH+]2CCCCC2)CCC1=O ZINC001200424767 847635183 /nfs/dbraw/zinc/63/51/83/847635183.db2.gz CCCXZPCGGWGCCJ-GFCCVEGCSA-N 1 2 294.424 0.761 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001252487850 847985715 /nfs/dbraw/zinc/98/57/15/847985715.db2.gz AKUCPVDJVHDKBQ-SNVBAGLBSA-N 1 2 253.302 0.600 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252547322 848000085 /nfs/dbraw/zinc/00/00/85/848000085.db2.gz FUYLOLXGNCBOCY-OCCSQVGLSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252547322 848000089 /nfs/dbraw/zinc/00/00/89/848000089.db2.gz FUYLOLXGNCBOCY-OCCSQVGLSA-N 1 2 280.372 0.781 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001252597880 848030237 /nfs/dbraw/zinc/03/02/37/848030237.db2.gz FYQDHHULCJTNLW-VXGBXAGGSA-N 1 2 284.356 0.067 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001252597880 848030239 /nfs/dbraw/zinc/03/02/39/848030239.db2.gz FYQDHHULCJTNLW-VXGBXAGGSA-N 1 2 284.356 0.067 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@H](O)CC)C2)OCC1=O ZINC001274553723 848501159 /nfs/dbraw/zinc/50/11/59/848501159.db2.gz ZCCVLAVIFRFPLR-GFCCVEGCSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)CCC)C[C@@]2(F)C1=O ZINC001274630327 848526084 /nfs/dbraw/zinc/52/60/84/848526084.db2.gz GIRGGWJIRBZBLQ-KWCYVHTRSA-N 1 2 288.338 0.908 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@H](O)CCC)C[C@@]2(F)C1=O ZINC001274630327 848526092 /nfs/dbraw/zinc/52/60/92/848526092.db2.gz GIRGGWJIRBZBLQ-KWCYVHTRSA-N 1 2 288.338 0.908 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001275099005 848638383 /nfs/dbraw/zinc/63/83/83/848638383.db2.gz MIFCUWCBEVRSLE-VHSXEESVSA-N 1 2 282.344 0.736 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001110893350 849014772 /nfs/dbraw/zinc/01/47/72/849014772.db2.gz GMHPXRPTKRGLGM-HKWIRBFKSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(N)=O)C2 ZINC001110893350 849014780 /nfs/dbraw/zinc/01/47/80/849014780.db2.gz GMHPXRPTKRGLGM-HKWIRBFKSA-N 1 2 299.802 0.972 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110899952 849018615 /nfs/dbraw/zinc/01/86/15/849018615.db2.gz YAODHBNNOBZXDY-OFTGVCEQSA-N 1 2 290.367 0.004 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110899952 849018616 /nfs/dbraw/zinc/01/86/16/849018616.db2.gz YAODHBNNOBZXDY-OFTGVCEQSA-N 1 2 290.367 0.004 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038648804 849227418 /nfs/dbraw/zinc/22/74/18/849227418.db2.gz XACGKEZEVNFXDW-MNOVXSKESA-N 1 2 275.356 0.601 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001038648804 849227428 /nfs/dbraw/zinc/22/74/28/849227428.db2.gz XACGKEZEVNFXDW-MNOVXSKESA-N 1 2 275.356 0.601 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001038636052 849760022 /nfs/dbraw/zinc/76/00/22/849760022.db2.gz IFHCBFBDBOVOEG-LLVKDONJSA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001038636052 849760024 /nfs/dbraw/zinc/76/00/24/849760024.db2.gz IFHCBFBDBOVOEG-LLVKDONJSA-N 1 2 298.350 0.191 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001038173191 849807038 /nfs/dbraw/zinc/80/70/38/849807038.db2.gz MNXXLWQWWSZYOA-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001038173191 849807048 /nfs/dbraw/zinc/80/70/48/849807048.db2.gz MNXXLWQWWSZYOA-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038245934 849830357 /nfs/dbraw/zinc/83/03/57/849830357.db2.gz MCSDJUMEPOZDID-RYUDHWBXSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038245934 849830365 /nfs/dbraw/zinc/83/03/65/849830365.db2.gz MCSDJUMEPOZDID-RYUDHWBXSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001038256883 849831719 /nfs/dbraw/zinc/83/17/19/849831719.db2.gz UXKLUCBCRHBMNQ-ZDUSSCGKSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001038256883 849831722 /nfs/dbraw/zinc/83/17/22/849831722.db2.gz UXKLUCBCRHBMNQ-ZDUSSCGKSA-N 1 2 290.367 0.275 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038316435 849847747 /nfs/dbraw/zinc/84/77/47/849847747.db2.gz SOPNGCPKMHVWEK-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038316435 849847758 /nfs/dbraw/zinc/84/77/58/849847758.db2.gz SOPNGCPKMHVWEK-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038320157 849848983 /nfs/dbraw/zinc/84/89/83/849848983.db2.gz XHVLIEHLGKQRCC-NSHDSACASA-N 1 2 274.324 0.231 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038320157 849848990 /nfs/dbraw/zinc/84/89/90/849848990.db2.gz XHVLIEHLGKQRCC-NSHDSACASA-N 1 2 274.324 0.231 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417639 849886582 /nfs/dbraw/zinc/88/65/82/849886582.db2.gz SGVNTGCJJIGPDZ-LLVKDONJSA-N 1 2 269.308 0.891 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038424269 849888308 /nfs/dbraw/zinc/88/83/08/849888308.db2.gz MGRGJKDGTIAYSE-JSGCOSHPSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038424269 849888318 /nfs/dbraw/zinc/88/83/18/849888318.db2.gz MGRGJKDGTIAYSE-JSGCOSHPSA-N 1 2 272.352 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038420907 849888865 /nfs/dbraw/zinc/88/88/65/849888865.db2.gz WSILEBWZMXBNDV-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038420907 849888874 /nfs/dbraw/zinc/88/88/74/849888874.db2.gz WSILEBWZMXBNDV-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001038434715 849896984 /nfs/dbraw/zinc/89/69/84/849896984.db2.gz YXBAOQLCWVMVFD-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001038434715 849896989 /nfs/dbraw/zinc/89/69/89/849896989.db2.gz YXBAOQLCWVMVFD-ZDUSSCGKSA-N 1 2 299.378 0.514 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001038536735 849935666 /nfs/dbraw/zinc/93/56/66/849935666.db2.gz LLHOMPCOHAAUAE-MCIONIFRSA-N 1 2 262.353 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001038536735 849935674 /nfs/dbraw/zinc/93/56/74/849935674.db2.gz LLHOMPCOHAAUAE-MCIONIFRSA-N 1 2 262.353 0.625 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038587884 849953421 /nfs/dbraw/zinc/95/34/21/849953421.db2.gz YGUYXXQVBPTKLK-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001038587884 849953426 /nfs/dbraw/zinc/95/34/26/849953426.db2.gz YGUYXXQVBPTKLK-CYBMUJFWSA-N 1 2 297.362 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637155 849967034 /nfs/dbraw/zinc/96/70/34/849967034.db2.gz FKTQQXCVEJOKRI-KGLIPLIRSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637155 849967039 /nfs/dbraw/zinc/96/70/39/849967039.db2.gz FKTQQXCVEJOKRI-KGLIPLIRSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001038704675 849988018 /nfs/dbraw/zinc/98/80/18/849988018.db2.gz XZPTVRATDGMVMI-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001038704675 849988034 /nfs/dbraw/zinc/98/80/34/849988034.db2.gz XZPTVRATDGMVMI-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001038724756 849996425 /nfs/dbraw/zinc/99/64/25/849996425.db2.gz WWDKGBQDMKAFCZ-FRRDWIJNSA-N 1 2 250.342 0.768 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001038724756 849996431 /nfs/dbraw/zinc/99/64/31/849996431.db2.gz WWDKGBQDMKAFCZ-FRRDWIJNSA-N 1 2 250.342 0.768 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001038815870 850024807 /nfs/dbraw/zinc/02/48/07/850024807.db2.gz ULZVZQIXXGKCQV-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001038815870 850024812 /nfs/dbraw/zinc/02/48/12/850024812.db2.gz ULZVZQIXXGKCQV-GFCCVEGCSA-N 1 2 298.346 0.780 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001038827259 850030140 /nfs/dbraw/zinc/03/01/40/850030140.db2.gz QQSLFQKJFKCVOL-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001038827259 850030146 /nfs/dbraw/zinc/03/01/46/850030146.db2.gz QQSLFQKJFKCVOL-LBPRGKRZSA-N 1 2 260.341 0.854 20 30 CCEDLO C[NH+](C)Cc1csc(CNc2ncncc2C#N)n1 ZINC000722378602 850044832 /nfs/dbraw/zinc/04/48/32/850044832.db2.gz RVRQEKBNWGJFEI-UHFFFAOYSA-N 1 2 274.353 0.900 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001038867771 850056263 /nfs/dbraw/zinc/05/62/63/850056263.db2.gz AYIYCZDKLREBSD-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001038867771 850056273 /nfs/dbraw/zinc/05/62/73/850056273.db2.gz AYIYCZDKLREBSD-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001038906474 850076979 /nfs/dbraw/zinc/07/69/79/850076979.db2.gz YEILLOLZUZEMRF-LBPRGKRZSA-N 1 2 298.350 0.248 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001038906474 850076981 /nfs/dbraw/zinc/07/69/81/850076981.db2.gz YEILLOLZUZEMRF-LBPRGKRZSA-N 1 2 298.350 0.248 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001038915717 850081152 /nfs/dbraw/zinc/08/11/52/850081152.db2.gz VTFRPUYLRPLLBW-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001038915717 850081159 /nfs/dbraw/zinc/08/11/59/850081159.db2.gz VTFRPUYLRPLLBW-LBPRGKRZSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001038924441 850088317 /nfs/dbraw/zinc/08/83/17/850088317.db2.gz CMJBYAXBKHJMBF-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001038924441 850088330 /nfs/dbraw/zinc/08/83/30/850088330.db2.gz CMJBYAXBKHJMBF-GFCCVEGCSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038933131 850091496 /nfs/dbraw/zinc/09/14/96/850091496.db2.gz CTBADCAPDFSVBG-SNVBAGLBSA-N 1 2 286.291 0.767 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038933131 850091500 /nfs/dbraw/zinc/09/15/00/850091500.db2.gz CTBADCAPDFSVBG-SNVBAGLBSA-N 1 2 286.291 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001039055379 850142258 /nfs/dbraw/zinc/14/22/58/850142258.db2.gz WRXRLCJOWKCWOG-LBPRGKRZSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001039055379 850142266 /nfs/dbraw/zinc/14/22/66/850142266.db2.gz WRXRLCJOWKCWOG-LBPRGKRZSA-N 1 2 297.362 0.714 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(CC#N)[C@@H]2C1 ZINC001042325123 850615741 /nfs/dbraw/zinc/61/57/41/850615741.db2.gz DIGQYEPMLKLTMM-TZMCWYRMSA-N 1 2 287.367 0.707 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001043045475 850803545 /nfs/dbraw/zinc/80/35/45/850803545.db2.gz CPIZHMHFMXOVIB-UHFFFAOYSA-N 1 2 290.367 0.719 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001043116624 850815982 /nfs/dbraw/zinc/81/59/82/850815982.db2.gz VMSVMSJQXYEBNL-UHFFFAOYSA-N 1 2 285.347 0.565 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(CC#N)C1 ZINC001043133319 850819272 /nfs/dbraw/zinc/81/92/72/850819272.db2.gz RLNJJGKUQAPFAK-LLVKDONJSA-N 1 2 273.340 0.112 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001043237626 850840463 /nfs/dbraw/zinc/84/04/63/850840463.db2.gz UWCJLPDFLDFVHC-UHFFFAOYSA-N 1 2 290.367 0.456 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2OC)C1 ZINC001043508063 850889347 /nfs/dbraw/zinc/88/93/47/850889347.db2.gz DXTRYZWRYIQOHA-UHFFFAOYSA-N 1 2 278.356 0.761 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+]([C@@H](C)COC)C2)c1 ZINC001043823862 850941519 /nfs/dbraw/zinc/94/15/19/850941519.db2.gz JIDRKWCDFJNRLI-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001043836148 850947775 /nfs/dbraw/zinc/94/77/75/850947775.db2.gz YQHWNZUKVNBZJS-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CCCF)C2)nn1 ZINC001044027908 850987598 /nfs/dbraw/zinc/98/75/98/850987598.db2.gz MMLJOLGDTLEJMV-UHFFFAOYSA-N 1 2 295.362 0.970 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3c2CCCC3)C1 ZINC001044146686 851022521 /nfs/dbraw/zinc/02/25/21/851022521.db2.gz MJOGPILPZFBEAL-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001044177926 851033498 /nfs/dbraw/zinc/03/34/98/851033498.db2.gz YADIRTLNPNVYKV-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn(C)c2=O)C1 ZINC001044200202 851040273 /nfs/dbraw/zinc/04/02/73/851040273.db2.gz CKNFSEFXBVUXNM-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001044284484 851063196 /nfs/dbraw/zinc/06/31/96/851063196.db2.gz UAEQISKKRNTPDL-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001044298436 851067218 /nfs/dbraw/zinc/06/72/18/851067218.db2.gz JVSPRUAPRJYSFM-UHFFFAOYSA-N 1 2 276.340 0.446 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001044364001 851085146 /nfs/dbraw/zinc/08/51/46/851085146.db2.gz BUENGOORAVCSNR-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001044371183 851088486 /nfs/dbraw/zinc/08/84/86/851088486.db2.gz IAYVBRLTOWKJDC-LBPRGKRZSA-N 1 2 280.372 0.248 20 30 CCEDLO CC[C@@H](F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046053949 851359305 /nfs/dbraw/zinc/35/93/05/851359305.db2.gz HSQJVXJBKPQVJG-CHWSQXEVSA-N 1 2 282.363 0.477 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC001046066158 851360456 /nfs/dbraw/zinc/36/04/56/851360456.db2.gz IUNUBWZHHWSDPN-ZIAGYGMSSA-N 1 2 288.395 0.529 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001046980251 851653059 /nfs/dbraw/zinc/65/30/59/851653059.db2.gz JLKKUVDWWKNQTH-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001046980251 851653065 /nfs/dbraw/zinc/65/30/65/851653065.db2.gz JLKKUVDWWKNQTH-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046980251 851653069 /nfs/dbraw/zinc/65/30/69/851653069.db2.gz JLKKUVDWWKNQTH-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046980251 851653076 /nfs/dbraw/zinc/65/30/76/851653076.db2.gz JLKKUVDWWKNQTH-SECBINFHSA-N 1 2 285.298 0.678 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csnc2C)C1 ZINC001047355918 851734140 /nfs/dbraw/zinc/73/41/40/851734140.db2.gz NWCSKIYDCWNGMU-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csnc2C)C1 ZINC001047355918 851734142 /nfs/dbraw/zinc/73/41/42/851734142.db2.gz NWCSKIYDCWNGMU-RYUDHWBXSA-N 1 2 279.365 0.202 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccn23)C1 ZINC001047433714 851763602 /nfs/dbraw/zinc/76/36/02/851763602.db2.gz JNSKACOIEGYWTD-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccn23)C1 ZINC001047433714 851763613 /nfs/dbraw/zinc/76/36/13/851763613.db2.gz JNSKACOIEGYWTD-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001047470819 851777055 /nfs/dbraw/zinc/77/70/55/851777055.db2.gz BQKPOBWRZFLHTA-KBPBESRZSA-N 1 2 288.347 0.519 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001047470819 851777061 /nfs/dbraw/zinc/77/70/61/851777061.db2.gz BQKPOBWRZFLHTA-KBPBESRZSA-N 1 2 288.347 0.519 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001096364826 851959542 /nfs/dbraw/zinc/95/95/42/851959542.db2.gz NIXOVIIXQWQQMJ-ZDUSSCGKSA-N 1 2 270.336 0.893 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnon1 ZINC001049371639 852247834 /nfs/dbraw/zinc/24/78/34/852247834.db2.gz GUWXFHUQXYAHCP-RTXFEEFZSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnon1 ZINC001049371639 852247844 /nfs/dbraw/zinc/24/78/44/852247844.db2.gz GUWXFHUQXYAHCP-RTXFEEFZSA-N 1 2 289.339 0.795 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#N ZINC001049841328 852382834 /nfs/dbraw/zinc/38/28/34/852382834.db2.gz RNMSMMFDGYZNBC-ZIAGYGMSSA-N 1 2 287.367 0.551 20 30 CCEDLO Cc1nc(NCCN(CCO)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001111435869 852431841 /nfs/dbraw/zinc/43/18/41/852431841.db2.gz HSPOKJOVVRHQAE-SNVBAGLBSA-N 1 2 277.328 0.178 20 30 CCEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001097131973 852502015 /nfs/dbraw/zinc/50/20/15/852502015.db2.gz IFWVNENNWRGPET-UPJWGTAASA-N 1 2 298.408 0.329 20 30 CCEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001097131973 852502019 /nfs/dbraw/zinc/50/20/19/852502019.db2.gz IFWVNENNWRGPET-UPJWGTAASA-N 1 2 298.408 0.329 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640661 852553441 /nfs/dbraw/zinc/55/34/41/852553441.db2.gz RZDYSLAKQKGRTF-KXNHARMFSA-N 1 2 297.786 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640661 852553444 /nfs/dbraw/zinc/55/34/44/852553444.db2.gz RZDYSLAKQKGRTF-KXNHARMFSA-N 1 2 297.786 0.597 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001053187234 852705296 /nfs/dbraw/zinc/70/52/96/852705296.db2.gz HNXYIRVZFQVKFE-NSHDSACASA-N 1 2 251.330 0.469 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]n1)CCO2 ZINC001053324759 852729834 /nfs/dbraw/zinc/72/98/34/852729834.db2.gz GWOUMSFLDZBJSF-UHFFFAOYSA-N 1 2 291.355 0.298 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCOC1)O2 ZINC001053580795 852766133 /nfs/dbraw/zinc/76/61/33/852766133.db2.gz JTNPEGFCUYJNEF-KGLIPLIRSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(F)F)CO2 ZINC001053717668 852787453 /nfs/dbraw/zinc/78/74/53/852787453.db2.gz RRMAPLDBTGQWCG-JTQLQIEISA-N 1 2 272.295 0.624 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncc1)CO2 ZINC001053720727 852787548 /nfs/dbraw/zinc/78/75/48/852787548.db2.gz DFDHNBMNDOYRBM-AWEZNQCLSA-N 1 2 285.347 0.678 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)n[nH]1)CO2 ZINC001053744190 852799097 /nfs/dbraw/zinc/79/90/97/852799097.db2.gz HUTPTQSGLQJRPG-LBPRGKRZSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccon1)CO2 ZINC001053746927 852800927 /nfs/dbraw/zinc/80/09/27/852800927.db2.gz PACOLSRQKKYQLQ-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCOC1)CO2 ZINC001053751153 852804763 /nfs/dbraw/zinc/80/47/63/852804763.db2.gz DUJCREHQFSFKPH-OLZOCXBDSA-N 1 2 278.352 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnccc1C)CO2 ZINC001053768524 852813153 /nfs/dbraw/zinc/81/31/53/852813153.db2.gz CBEHSEOKTZALTJ-CQSZACIVSA-N 1 2 299.374 0.986 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001053916836 852845312 /nfs/dbraw/zinc/84/53/12/852845312.db2.gz SSVRVBFBBBFOGI-ZDUSSCGKSA-N 1 2 294.395 0.685 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1conc1C)CO2 ZINC001053914807 852846169 /nfs/dbraw/zinc/84/61/69/852846169.db2.gz UYJHVFUIXGTZAU-LBPRGKRZSA-N 1 2 289.335 0.579 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c[nH]1)CO2 ZINC001053949674 852853082 /nfs/dbraw/zinc/85/30/82/852853082.db2.gz NIDOLVQURKVUCR-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO Cc1cc(N[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001097921150 852871310 /nfs/dbraw/zinc/87/13/10/852871310.db2.gz FGTLESAQIOOZPC-LBPRGKRZSA-N 1 2 298.350 0.497 20 30 CCEDLO N#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205373 852895084 /nfs/dbraw/zinc/89/50/84/852895084.db2.gz PVLXFMQCPGUPDJ-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2C1 ZINC001054282127 852898929 /nfs/dbraw/zinc/89/89/29/852898929.db2.gz QIEQIAVQLFFKOD-CABCVRRESA-N 1 2 297.358 0.373 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2C1 ZINC001054282127 852898935 /nfs/dbraw/zinc/89/89/35/852898935.db2.gz QIEQIAVQLFFKOD-CABCVRRESA-N 1 2 297.358 0.373 20 30 CCEDLO COCC#CCN1CC[N@H+](CC#CCOC)[C@H](C)C1 ZINC000677480497 852907671 /nfs/dbraw/zinc/90/76/71/852907671.db2.gz YFHMXVKDXXMPRF-OAHLLOKOSA-N 1 2 264.369 0.292 20 30 CCEDLO COCC#CCN1CC[N@@H+](CC#CCOC)[C@H](C)C1 ZINC000677480497 852907678 /nfs/dbraw/zinc/90/76/78/852907678.db2.gz YFHMXVKDXXMPRF-OAHLLOKOSA-N 1 2 264.369 0.292 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NCC#N ZINC001054924388 853037550 /nfs/dbraw/zinc/03/75/50/853037550.db2.gz DQLZKLVXSVAAOA-NWDGAFQWSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NCC#N ZINC001054924390 853037777 /nfs/dbraw/zinc/03/77/77/853037777.db2.gz DQLZKLVXSVAAOA-VXGBXAGGSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NCC#N ZINC001054924387 853038154 /nfs/dbraw/zinc/03/81/54/853038154.db2.gz DQLZKLVXSVAAOA-NEPJUHHUSA-N 1 2 275.356 0.313 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)on1 ZINC001050798194 853437454 /nfs/dbraw/zinc/43/74/54/853437454.db2.gz ASESFAGFHIBJRT-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)on1 ZINC001050798194 853437458 /nfs/dbraw/zinc/43/74/58/853437458.db2.gz ASESFAGFHIBJRT-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001050830218 853450232 /nfs/dbraw/zinc/45/02/32/853450232.db2.gz KDXJYXJGTDYOGI-ZDUSSCGKSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001050830218 853450240 /nfs/dbraw/zinc/45/02/40/853450240.db2.gz KDXJYXJGTDYOGI-ZDUSSCGKSA-N 1 2 278.356 0.807 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867184 853467539 /nfs/dbraw/zinc/46/75/39/853467539.db2.gz FBNVEZCIRORYCW-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867184 853467542 /nfs/dbraw/zinc/46/75/42/853467542.db2.gz FBNVEZCIRORYCW-CYBMUJFWSA-N 1 2 288.351 0.893 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001050873775 853470241 /nfs/dbraw/zinc/47/02/41/853470241.db2.gz XYMFBKXMDBLFOK-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001050873775 853470237 /nfs/dbraw/zinc/47/02/37/853470237.db2.gz XYMFBKXMDBLFOK-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050876442 853471593 /nfs/dbraw/zinc/47/15/93/853471593.db2.gz NARUNCUEWPVYJU-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050876442 853471596 /nfs/dbraw/zinc/47/15/96/853471596.db2.gz NARUNCUEWPVYJU-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001050914226 853484663 /nfs/dbraw/zinc/48/46/63/853484663.db2.gz YQJNIRDMEOGGIX-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001050914226 853484669 /nfs/dbraw/zinc/48/46/69/853484669.db2.gz YQJNIRDMEOGGIX-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001050968785 853496588 /nfs/dbraw/zinc/49/65/88/853496588.db2.gz IDHDPAMOZMHPCW-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001050968785 853496597 /nfs/dbraw/zinc/49/65/97/853496597.db2.gz IDHDPAMOZMHPCW-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)c1 ZINC001051105406 853525412 /nfs/dbraw/zinc/52/54/12/853525412.db2.gz FMMWQVPEOWBWIM-MRXNPFEDSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)c1 ZINC001051105406 853525418 /nfs/dbraw/zinc/52/54/18/853525418.db2.gz FMMWQVPEOWBWIM-MRXNPFEDSA-N 1 2 299.374 0.904 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccccn3)C2)CC1 ZINC001051968304 853666396 /nfs/dbraw/zinc/66/63/96/853666396.db2.gz BMWYMMCGUOAWRU-AWEZNQCLSA-N 1 2 299.378 0.437 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccncc3)C2)CC1 ZINC001051970955 853667516 /nfs/dbraw/zinc/66/75/16/853667516.db2.gz CAHXANWTQWQVMC-INIZCTEOSA-N 1 2 298.390 0.547 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001051995348 853671317 /nfs/dbraw/zinc/67/13/17/853671317.db2.gz BVQOXZXRAKIFBU-LSDHHAIUSA-N 1 2 293.411 0.263 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001051991533 853672157 /nfs/dbraw/zinc/67/21/57/853672157.db2.gz JBEWVJCGCDHQOZ-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)CC1 ZINC001052024735 853677868 /nfs/dbraw/zinc/67/78/68/853677868.db2.gz LJVKPBNTQHKHOF-CHWSQXEVSA-N 1 2 297.349 0.493 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052059906 853679130 /nfs/dbraw/zinc/67/91/30/853679130.db2.gz SPTNWLUZFVLWLT-GFCCVEGCSA-N 1 2 289.339 0.030 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052063851 853679541 /nfs/dbraw/zinc/67/95/41/853679541.db2.gz YWWDGORASWBNAP-KGLIPLIRSA-N 1 2 281.375 0.586 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001069999119 854014731 /nfs/dbraw/zinc/01/47/31/854014731.db2.gz QDUXEKMRYFZACS-SYQHCUMBSA-N 1 2 287.367 0.299 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001069999119 854014735 /nfs/dbraw/zinc/01/47/35/854014735.db2.gz QDUXEKMRYFZACS-SYQHCUMBSA-N 1 2 287.367 0.299 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001098103477 854021456 /nfs/dbraw/zinc/02/14/56/854021456.db2.gz HNHMFHHJKBNKBO-MXWKQRLJSA-N 1 2 259.313 0.197 20 30 CCEDLO CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070615783 854082824 /nfs/dbraw/zinc/08/28/24/854082824.db2.gz QOIBTCJXNZIDRW-VXGBXAGGSA-N 1 2 275.356 0.628 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001070934765 854105436 /nfs/dbraw/zinc/10/54/36/854105436.db2.gz OJEDODFKUQTRRT-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001070934765 854105439 /nfs/dbraw/zinc/10/54/39/854105439.db2.gz OJEDODFKUQTRRT-ZIAGYGMSSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071176809 854133902 /nfs/dbraw/zinc/13/39/02/854133902.db2.gz CEMZBMSZYLCHPL-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071803463 854297225 /nfs/dbraw/zinc/29/72/25/854297225.db2.gz MONNXZRISFBKKD-NEPJUHHUSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@H]1C ZINC001071803463 854297228 /nfs/dbraw/zinc/29/72/28/854297228.db2.gz MONNXZRISFBKKD-NEPJUHHUSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071803465 854297853 /nfs/dbraw/zinc/29/78/53/854297853.db2.gz MONNXZRISFBKKD-RYUDHWBXSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071803465 854297860 /nfs/dbraw/zinc/29/78/60/854297860.db2.gz MONNXZRISFBKKD-RYUDHWBXSA-N 1 2 290.367 0.732 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1CC#N ZINC001071934631 854321133 /nfs/dbraw/zinc/32/11/33/854321133.db2.gz POYDAGYYECPNSH-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073128143 854533920 /nfs/dbraw/zinc/53/39/20/854533920.db2.gz SZWFFOZIUKURLX-UHFFFAOYSA-N 1 2 273.340 0.020 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001074211705 854696868 /nfs/dbraw/zinc/69/68/68/854696868.db2.gz CXZIABOYRSLXDW-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001074211705 854696872 /nfs/dbraw/zinc/69/68/72/854696872.db2.gz CXZIABOYRSLXDW-UONOGXRCSA-N 1 2 288.351 0.822 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074237474 854703643 /nfs/dbraw/zinc/70/36/43/854703643.db2.gz ZPVXRRWXIZLVTR-LSDHHAIUSA-N 1 2 292.379 0.084 20 30 CCEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074237474 854703648 /nfs/dbraw/zinc/70/36/48/854703648.db2.gz ZPVXRRWXIZLVTR-LSDHHAIUSA-N 1 2 292.379 0.084 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C[C@H]1O ZINC001099726063 854977890 /nfs/dbraw/zinc/97/78/90/854977890.db2.gz DAXOCYQFUHMGMM-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C[C@H]1O ZINC001099726063 854977895 /nfs/dbraw/zinc/97/78/95/854977895.db2.gz DAXOCYQFUHMGMM-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1nccnc1C#N ZINC001101717976 855350028 /nfs/dbraw/zinc/35/00/28/855350028.db2.gz GNSZUSXIGMLMNK-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO C#CCCN1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC001116479393 855774152 /nfs/dbraw/zinc/77/41/52/855774152.db2.gz XNZONWNADHZGDI-UHFFFAOYSA-N 1 2 284.425 0.452 20 30 CCEDLO C=C(C)COCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001117077849 855907180 /nfs/dbraw/zinc/90/71/80/855907180.db2.gz GYXWKGAVQGVIKL-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO C#CCCN1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001117105533 855914524 /nfs/dbraw/zinc/91/45/24/855914524.db2.gz QPCVYTRPMTZRFO-AWEZNQCLSA-N 1 2 284.425 0.452 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001118120829 856168856 /nfs/dbraw/zinc/16/88/56/856168856.db2.gz IMSRIVPIZSLQJH-ZDUSSCGKSA-N 1 2 277.328 0.333 20 30 CCEDLO C=CCn1nnnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001119716288 856851856 /nfs/dbraw/zinc/85/18/56/856851856.db2.gz SEWNPANPJOUFSZ-UHFFFAOYSA-N 1 2 286.343 0.284 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CCCC)NC(N)=O ZINC001323371861 912299775 /nfs/dbraw/zinc/29/97/75/912299775.db2.gz PBBYPHBLKPTADS-NEPJUHHUSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCCC)NC(N)=O ZINC001323371861 912299793 /nfs/dbraw/zinc/29/97/93/912299793.db2.gz PBBYPHBLKPTADS-NEPJUHHUSA-N 1 2 280.372 0.037 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)nc1 ZINC001324507009 912882475 /nfs/dbraw/zinc/88/24/75/912882475.db2.gz OGEWRGNTFPSOOT-UHFFFAOYSA-N 1 2 298.306 0.295 20 30 CCEDLO C#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001324609321 912938475 /nfs/dbraw/zinc/93/84/75/912938475.db2.gz VHILCFBDYQPNDY-OAHLLOKOSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001324609321 912938496 /nfs/dbraw/zinc/93/84/96/912938496.db2.gz VHILCFBDYQPNDY-OAHLLOKOSA-N 1 2 289.383 0.699 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 ZINC001325083515 913199270 /nfs/dbraw/zinc/19/92/70/913199270.db2.gz SBBVSKOMOMGKJW-CQSZACIVSA-N 1 2 284.787 0.951 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 ZINC001325083515 913199280 /nfs/dbraw/zinc/19/92/80/913199280.db2.gz SBBVSKOMOMGKJW-CQSZACIVSA-N 1 2 284.787 0.951 20 30 CCEDLO O=C(C#CC1CC1)NCC1(O)C[NH+](CCCCCF)C1 ZINC001325207834 913278035 /nfs/dbraw/zinc/27/80/35/913278035.db2.gz QPYJRLLMAFVSKG-UHFFFAOYSA-N 1 2 282.359 0.703 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001325275099 913315115 /nfs/dbraw/zinc/31/51/15/913315115.db2.gz VQAFINZOEFXUAF-UHFFFAOYSA-N 1 2 298.293 0.147 20 30 CCEDLO C=CCN1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325281631 913321942 /nfs/dbraw/zinc/32/19/42/913321942.db2.gz TWNGXNUEODHUOY-GFCCVEGCSA-N 1 2 278.356 0.183 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)C#CC(C)(C)C ZINC001283002758 891606696 /nfs/dbraw/zinc/60/66/96/891606696.db2.gz LFGNJJGWAYXFGN-UHFFFAOYSA-N 1 2 290.367 0.543 20 30 CCEDLO C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001325822199 913589280 /nfs/dbraw/zinc/58/92/80/913589280.db2.gz XTXFFSQEUOPHAH-DZGCQCFKSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001325822199 913589290 /nfs/dbraw/zinc/58/92/90/913589290.db2.gz XTXFFSQEUOPHAH-DZGCQCFKSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001325822199 913589318 /nfs/dbraw/zinc/58/93/18/913589318.db2.gz XTXFFSQEUOPHAH-DZGCQCFKSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001325822199 913589329 /nfs/dbraw/zinc/58/93/29/913589329.db2.gz XTXFFSQEUOPHAH-DZGCQCFKSA-N 1 2 281.400 0.210 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2C)CC1 ZINC001351183964 891882812 /nfs/dbraw/zinc/88/28/12/891882812.db2.gz UKXFFRXWBJSOBY-ZDUSSCGKSA-N 1 2 286.383 0.978 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn3c2CCC3)C1 ZINC001481563238 892837420 /nfs/dbraw/zinc/83/74/20/892837420.db2.gz ONJKEDMLOBPUJZ-UHFFFAOYSA-N 1 2 290.367 0.446 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001481573367 892846380 /nfs/dbraw/zinc/84/63/80/892846380.db2.gz WOCYFHJMJACFDI-GFCCVEGCSA-N 1 2 274.368 0.737 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001481609307 892893061 /nfs/dbraw/zinc/89/30/61/892893061.db2.gz YOFWBOMSNKWEIF-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001481617779 892910668 /nfs/dbraw/zinc/91/06/68/892910668.db2.gz RBGPIUFGLGIXPX-LBPRGKRZSA-N 1 2 290.367 0.788 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481686885 893008537 /nfs/dbraw/zinc/00/85/37/893008537.db2.gz LFWSUDFHDKKONW-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481686885 893008555 /nfs/dbraw/zinc/00/85/55/893008555.db2.gz LFWSUDFHDKKONW-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001481697859 893025970 /nfs/dbraw/zinc/02/59/70/893025970.db2.gz ZAWSBHFQBNKHAB-NWDGAFQWSA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001481697859 893025990 /nfs/dbraw/zinc/02/59/90/893025990.db2.gz ZAWSBHFQBNKHAB-NWDGAFQWSA-N 1 2 291.351 0.774 20 30 CCEDLO CN(C(=O)CCC1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481720272 893093806 /nfs/dbraw/zinc/09/38/06/893093806.db2.gz MITBLFQOGVRNKF-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO CN(C(=O)CCC1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481720272 893093823 /nfs/dbraw/zinc/09/38/23/893093823.db2.gz MITBLFQOGVRNKF-ZDUSSCGKSA-N 1 2 292.383 0.349 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001481808097 893171693 /nfs/dbraw/zinc/17/16/93/893171693.db2.gz LYSWTGZPVYDQDY-RISCZKNCSA-N 1 2 296.371 0.690 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001482180264 893466543 /nfs/dbraw/zinc/46/65/43/893466543.db2.gz WHVOTHJGLKHCJT-CYBMUJFWSA-N 1 2 278.356 0.276 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001482180264 893466564 /nfs/dbraw/zinc/46/65/64/893466564.db2.gz WHVOTHJGLKHCJT-CYBMUJFWSA-N 1 2 278.356 0.276 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCCC(=O)N(C)C)C1 ZINC001482204342 893535485 /nfs/dbraw/zinc/53/54/85/893535485.db2.gz CLRKWYHMVHUTDG-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCCC(=O)N(C)C)C1 ZINC001482204342 893535500 /nfs/dbraw/zinc/53/55/00/893535500.db2.gz CLRKWYHMVHUTDG-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001482479506 894099416 /nfs/dbraw/zinc/09/94/16/894099416.db2.gz KIDLUJIFWNJTLX-NEPJUHHUSA-N 1 2 275.356 0.692 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)CC(C)C ZINC001482607031 894390410 /nfs/dbraw/zinc/39/04/10/894390410.db2.gz CNFIICFVWKAJOK-UHFFFAOYSA-N 1 2 290.429 0.633 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)CS(=O)(=O)CC(C)C ZINC001482607031 894390421 /nfs/dbraw/zinc/39/04/21/894390421.db2.gz CNFIICFVWKAJOK-UHFFFAOYSA-N 1 2 290.429 0.633 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001482614912 894413072 /nfs/dbraw/zinc/41/30/72/894413072.db2.gz TXVXBOWSTUZAKX-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001482614912 894413081 /nfs/dbraw/zinc/41/30/81/894413081.db2.gz TXVXBOWSTUZAKX-CHWSQXEVSA-N 1 2 297.399 0.104 20 30 CCEDLO C#Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2cnon2)cn1 ZINC001483085685 894888670 /nfs/dbraw/zinc/88/86/70/894888670.db2.gz FEGKCPCLGDBCEC-ARJAWSKDSA-N 1 2 297.318 0.522 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)on1 ZINC001483338154 895474203 /nfs/dbraw/zinc/47/42/03/895474203.db2.gz VHRGPVUFGUUMBD-GFCCVEGCSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)on1 ZINC001483338154 895474212 /nfs/dbraw/zinc/47/42/12/895474212.db2.gz VHRGPVUFGUUMBD-GFCCVEGCSA-N 1 2 293.367 0.959 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001483371705 895509189 /nfs/dbraw/zinc/50/91/89/895509189.db2.gz ZWYKZNAACXBKGL-QMMMGPOBSA-N 1 2 271.752 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001483371705 895509200 /nfs/dbraw/zinc/50/92/00/895509200.db2.gz ZWYKZNAACXBKGL-QMMMGPOBSA-N 1 2 271.752 0.916 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631540 895754515 /nfs/dbraw/zinc/75/45/15/895754515.db2.gz UCFNDRWGSPTIQA-KBPBESRZSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C=C(C)C)C1=O ZINC001483631540 895754529 /nfs/dbraw/zinc/75/45/29/895754529.db2.gz UCFNDRWGSPTIQA-KBPBESRZSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001483637720 895768635 /nfs/dbraw/zinc/76/86/35/895768635.db2.gz ATIFLYYFJIFXBE-GXTWGEPZSA-N 1 2 289.379 0.281 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001483637720 895768653 /nfs/dbraw/zinc/76/86/53/895768653.db2.gz ATIFLYYFJIFXBE-GXTWGEPZSA-N 1 2 289.379 0.281 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)OCC)C1 ZINC001483853720 896091472 /nfs/dbraw/zinc/09/14/72/896091472.db2.gz OJOUIFOQBRUKKL-GFCCVEGCSA-N 1 2 270.373 0.757 20 30 CCEDLO C[C@H](CC(=O)N(C)C1CN(CC#N)C1)n1cc[nH+]c1 ZINC001483882273 896104497 /nfs/dbraw/zinc/10/44/97/896104497.db2.gz QEBRHEFISDVIMY-LLVKDONJSA-N 1 2 261.329 0.500 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](C[C@H](CC)OC)C1 ZINC001484288201 896315480 /nfs/dbraw/zinc/31/54/80/896315480.db2.gz NRUSMTMVYMQVIY-LBPRGKRZSA-N 1 2 284.400 0.787 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484748483 896584132 /nfs/dbraw/zinc/58/41/32/896584132.db2.gz VHTNYGOLGSEAPU-CYBMUJFWSA-N 1 2 289.383 0.749 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC)CO2 ZINC001484789890 896604861 /nfs/dbraw/zinc/60/48/61/896604861.db2.gz UGPANEIQCKCIJW-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C=CCCC(=O)NC1(CCO)C[NH+](CCOC)C1 ZINC001485399390 897031158 /nfs/dbraw/zinc/03/11/58/897031158.db2.gz KJEDUUQRYMYHBX-UHFFFAOYSA-N 1 2 256.346 0.152 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001485416287 897044351 /nfs/dbraw/zinc/04/43/51/897044351.db2.gz BNGHXNBAFQQQKF-UONOGXRCSA-N 1 2 296.411 0.788 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001326754700 914140382 /nfs/dbraw/zinc/14/03/82/914140382.db2.gz HSRXHJOBNJBWFQ-BXKDBHETSA-N 1 2 250.302 0.633 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001326754700 914140387 /nfs/dbraw/zinc/14/03/87/914140387.db2.gz HSRXHJOBNJBWFQ-BXKDBHETSA-N 1 2 250.302 0.633 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107833260 897331405 /nfs/dbraw/zinc/33/14/05/897331405.db2.gz FUFUVPNINIARGB-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001107833260 897331418 /nfs/dbraw/zinc/33/14/18/897331418.db2.gz FUFUVPNINIARGB-HOCLYGCPSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001077730228 897357732 /nfs/dbraw/zinc/35/77/32/897357732.db2.gz RUSHUJFLNSODSL-JKJDWNRSSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001077730228 897357742 /nfs/dbraw/zinc/35/77/42/897357742.db2.gz RUSHUJFLNSODSL-JKJDWNRSSA-N 1 2 290.407 0.997 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001107876958 897417990 /nfs/dbraw/zinc/41/79/90/897417990.db2.gz NWHGAQIRRZFUEM-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001107876958 897417998 /nfs/dbraw/zinc/41/79/98/897417998.db2.gz NWHGAQIRRZFUEM-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908372 897483853 /nfs/dbraw/zinc/48/38/53/897483853.db2.gz MUDCMWNEFGMZCT-ZBFHGGJFSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001107908372 897483858 /nfs/dbraw/zinc/48/38/58/897483858.db2.gz MUDCMWNEFGMZCT-ZBFHGGJFSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCF)c1 ZINC001032489747 897642228 /nfs/dbraw/zinc/64/22/28/897642228.db2.gz XEBKREQJRPZWLN-KBPBESRZSA-N 1 2 290.342 0.775 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCF)c1 ZINC001032489747 897642236 /nfs/dbraw/zinc/64/22/36/897642236.db2.gz XEBKREQJRPZWLN-KBPBESRZSA-N 1 2 290.342 0.775 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CC ZINC001032496022 897653126 /nfs/dbraw/zinc/65/31/26/897653126.db2.gz JIZNEFRXFISTJN-RYUDHWBXSA-N 1 2 272.352 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CC ZINC001032496022 897653132 /nfs/dbraw/zinc/65/31/32/897653132.db2.gz JIZNEFRXFISTJN-RYUDHWBXSA-N 1 2 272.352 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001032517376 897686162 /nfs/dbraw/zinc/68/61/62/897686162.db2.gz YWZBRZRFCSHWSS-YHUYYLMFSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001032517376 897686170 /nfs/dbraw/zinc/68/61/70/897686170.db2.gz YWZBRZRFCSHWSS-YHUYYLMFSA-N 1 2 288.391 0.967 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC(=O)CC1 ZINC001032542012 897725352 /nfs/dbraw/zinc/72/53/52/897725352.db2.gz KBBWLLCYMMJDJE-RDBSUJKOSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC(=O)CC1 ZINC001032542012 897725371 /nfs/dbraw/zinc/72/53/71/897725371.db2.gz KBBWLLCYMMJDJE-RDBSUJKOSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001042938626 897735873 /nfs/dbraw/zinc/73/58/73/897735873.db2.gz QUOMCUBATMRVGU-UHFFFAOYSA-N 1 2 284.323 0.132 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001032588635 897781216 /nfs/dbraw/zinc/78/12/16/897781216.db2.gz LNAFXHGXBLRDDS-SNPRPXQTSA-N 1 2 298.390 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001032588635 897781225 /nfs/dbraw/zinc/78/12/25/897781225.db2.gz LNAFXHGXBLRDDS-SNPRPXQTSA-N 1 2 298.390 0.443 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001077818395 897817258 /nfs/dbraw/zinc/81/72/58/897817258.db2.gz RVJCJPQDUMESDN-REWJHTLYSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001077818395 897817266 /nfs/dbraw/zinc/81/72/66/897817266.db2.gz RVJCJPQDUMESDN-REWJHTLYSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001032613851 897828532 /nfs/dbraw/zinc/82/85/32/897828532.db2.gz YEFCVSINRNYFCS-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001032613851 897828540 /nfs/dbraw/zinc/82/85/40/897828540.db2.gz YEFCVSINRNYFCS-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2CC)C1 ZINC001043010208 897864740 /nfs/dbraw/zinc/86/47/40/897864740.db2.gz UCNWQZTYLFLSQU-UHFFFAOYSA-N 1 2 274.368 0.762 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C ZINC001032687510 897933923 /nfs/dbraw/zinc/93/39/23/897933923.db2.gz KOUMVLGYAMQAAK-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C ZINC001032687510 897933933 /nfs/dbraw/zinc/93/39/33/897933933.db2.gz KOUMVLGYAMQAAK-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001108012226 898112774 /nfs/dbraw/zinc/11/27/74/898112774.db2.gz PZVZCHQQLOYGCT-AWEZNQCLSA-N 1 2 294.355 0.430 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001108012226 898112815 /nfs/dbraw/zinc/11/28/15/898112815.db2.gz PZVZCHQQLOYGCT-AWEZNQCLSA-N 1 2 294.355 0.430 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc2O1 ZINC001032763095 898133699 /nfs/dbraw/zinc/13/36/99/898133699.db2.gz KYPFTNWJWDHFHV-XEZPLFJOSA-N 1 2 298.342 0.745 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc2O1 ZINC001032763095 898133710 /nfs/dbraw/zinc/13/37/10/898133710.db2.gz KYPFTNWJWDHFHV-XEZPLFJOSA-N 1 2 298.342 0.745 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc[nH]1 ZINC001272918487 898170408 /nfs/dbraw/zinc/17/04/08/898170408.db2.gz LLYGSSBAFMLELF-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc[nH]1 ZINC001272918487 898170415 /nfs/dbraw/zinc/17/04/15/898170415.db2.gz LLYGSSBAFMLELF-HNNXBMFYSA-N 1 2 272.352 1.000 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001078040121 898200014 /nfs/dbraw/zinc/20/00/14/898200014.db2.gz LUNUQFQNBSMKRQ-GHMZBOCLSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001078040121 898200028 /nfs/dbraw/zinc/20/00/28/898200028.db2.gz LUNUQFQNBSMKRQ-GHMZBOCLSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001078110566 898242872 /nfs/dbraw/zinc/24/28/72/898242872.db2.gz JPLUGMHSACLXSX-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001078110566 898242887 /nfs/dbraw/zinc/24/28/87/898242887.db2.gz JPLUGMHSACLXSX-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001078216196 898300643 /nfs/dbraw/zinc/30/06/43/898300643.db2.gz BTLLDKSHDQLVCV-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001078216196 898300658 /nfs/dbraw/zinc/30/06/58/898300658.db2.gz BTLLDKSHDQLVCV-NUEKZKHPSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001078240061 898309899 /nfs/dbraw/zinc/30/98/99/898309899.db2.gz ZTNNULYPBYUVFU-GHMZBOCLSA-N 1 2 279.365 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001078240061 898309914 /nfs/dbraw/zinc/30/99/14/898309914.db2.gz ZTNNULYPBYUVFU-GHMZBOCLSA-N 1 2 279.365 0.168 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043139358 898379047 /nfs/dbraw/zinc/37/90/47/898379047.db2.gz FVDVKPZNVFBJFU-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](CNCC#N)C1 ZINC001486215816 898717926 /nfs/dbraw/zinc/71/79/26/898717926.db2.gz LNTXBAJOANODHS-NEPJUHHUSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CCCC(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001486604755 898932925 /nfs/dbraw/zinc/93/29/25/898932925.db2.gz CNAMSYVJPRCUMW-UHFFFAOYSA-N 1 2 290.367 0.860 20 30 CCEDLO C#CCCCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001494376503 899100246 /nfs/dbraw/zinc/10/02/46/899100246.db2.gz AKGGDCDCSXYGPT-UHFFFAOYSA-N 1 2 260.341 0.524 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nocc2C)C1 ZINC001108327817 899773894 /nfs/dbraw/zinc/77/38/94/899773894.db2.gz TUFMHZMAFALCQD-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nocc2C)C1 ZINC001108327817 899773898 /nfs/dbraw/zinc/77/38/98/899773898.db2.gz TUFMHZMAFALCQD-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001494840169 899842652 /nfs/dbraw/zinc/84/26/52/899842652.db2.gz SIGGMCZQSCCKQN-WFASDCNBSA-N 1 2 297.399 0.233 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494840169 899842657 /nfs/dbraw/zinc/84/26/57/899842657.db2.gz SIGGMCZQSCCKQN-WFASDCNBSA-N 1 2 297.399 0.233 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 ZINC001325040604 899896305 /nfs/dbraw/zinc/89/63/05/899896305.db2.gz WVKVGHYOBBHDDR-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001487732445 900118475 /nfs/dbraw/zinc/11/84/75/900118475.db2.gz KGJDLCNIHKNNNA-NSHDSACASA-N 1 2 294.355 0.118 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001487921089 900153508 /nfs/dbraw/zinc/15/35/08/900153508.db2.gz OGQQKECWKVEUIE-LBPRGKRZSA-N 1 2 290.367 0.719 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1C ZINC001489287670 900459641 /nfs/dbraw/zinc/45/96/41/900459641.db2.gz UWXYCLKUSNMUSS-MBNYWOFBSA-N 1 2 297.374 0.309 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1C ZINC001489287670 900459644 /nfs/dbraw/zinc/45/96/44/900459644.db2.gz UWXYCLKUSNMUSS-MBNYWOFBSA-N 1 2 297.374 0.309 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001490193048 900565664 /nfs/dbraw/zinc/56/56/64/900565664.db2.gz KPCVJIPQQMWRFU-LBPRGKRZSA-N 1 2 279.340 0.651 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001490193048 900565671 /nfs/dbraw/zinc/56/56/71/900565671.db2.gz KPCVJIPQQMWRFU-LBPRGKRZSA-N 1 2 279.340 0.651 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC23CCC3)CC1 ZINC001490506055 900654654 /nfs/dbraw/zinc/65/46/54/900654654.db2.gz JADFTTTWCFFIAG-OAHLLOKOSA-N 1 2 289.423 0.934 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490562894 900669447 /nfs/dbraw/zinc/66/94/47/900669447.db2.gz PUFPKDBERFRSFD-GFCCVEGCSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490562894 900669450 /nfs/dbraw/zinc/66/94/50/900669450.db2.gz PUFPKDBERFRSFD-GFCCVEGCSA-N 1 2 292.383 0.419 20 30 CCEDLO N#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001490674351 900687694 /nfs/dbraw/zinc/68/76/94/900687694.db2.gz RAVCGQAEOSVEMI-IJLUTSLNSA-N 1 2 273.340 0.521 20 30 CCEDLO N#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001490674351 900687702 /nfs/dbraw/zinc/68/77/02/900687702.db2.gz RAVCGQAEOSVEMI-IJLUTSLNSA-N 1 2 273.340 0.521 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCOCC2)C1 ZINC001042630702 902679204 /nfs/dbraw/zinc/67/92/04/902679204.db2.gz LUVFQHDBPZLKPT-UHFFFAOYSA-N 1 2 267.373 0.037 20 30 CCEDLO C#CCN(Cc1c[nH+]cn1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001461931570 902994371 /nfs/dbraw/zinc/99/43/71/902994371.db2.gz BRTGMKNBKYZDGZ-ZDUSSCGKSA-N 1 2 295.408 0.915 20 30 CCEDLO C#CCCCC(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001285535577 905670705 /nfs/dbraw/zinc/67/07/05/905670705.db2.gz ZYFMNGKTIHARRA-AATRIKPKSA-N 1 2 288.351 0.475 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001285715091 905733910 /nfs/dbraw/zinc/73/39/10/905733910.db2.gz UEGQJOAFTGRPFB-JTQLQIEISA-N 1 2 278.356 0.848 20 30 CCEDLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCN1C(=O)C#CC1CC1 ZINC001285889301 905796054 /nfs/dbraw/zinc/79/60/54/905796054.db2.gz QFASCUDGJACVOC-GFCCVEGCSA-N 1 2 286.335 0.083 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379085764 905982544 /nfs/dbraw/zinc/98/25/44/905982544.db2.gz SPZVZSLFTKBOQO-JTQLQIEISA-N 1 2 288.779 0.153 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379085764 905982555 /nfs/dbraw/zinc/98/25/55/905982555.db2.gz SPZVZSLFTKBOQO-JTQLQIEISA-N 1 2 288.779 0.153 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001295548419 906757651 /nfs/dbraw/zinc/75/76/51/906757651.db2.gz IZKAYIHUEAZQRU-VXGBXAGGSA-N 1 2 294.355 0.095 20 30 CCEDLO C=CC[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC001337796940 921294427 /nfs/dbraw/zinc/29/44/27/921294427.db2.gz YEMPTOQXYOORMP-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001297744780 907114053 /nfs/dbraw/zinc/11/40/53/907114053.db2.gz RVCHEENPIHDXAR-LBPRGKRZSA-N 1 2 290.367 0.624 20 30 CCEDLO C#Cc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc1 ZINC001337886183 921301553 /nfs/dbraw/zinc/30/15/53/921301553.db2.gz YUSNPQASOURZKC-AWEZNQCLSA-N 1 2 275.352 0.192 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001381573203 907301175 /nfs/dbraw/zinc/30/11/75/907301175.db2.gz KMAGHNGVQHPTIR-MNOVXSKESA-N 1 2 278.780 0.837 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001381573203 907301195 /nfs/dbraw/zinc/30/11/95/907301195.db2.gz KMAGHNGVQHPTIR-MNOVXSKESA-N 1 2 278.780 0.837 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC001382453787 907750429 /nfs/dbraw/zinc/75/04/29/907750429.db2.gz WOGRVKQJXJHKHX-PWSUYJOCSA-N 1 2 280.328 0.085 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC001382453787 907750441 /nfs/dbraw/zinc/75/04/41/907750441.db2.gz WOGRVKQJXJHKHX-PWSUYJOCSA-N 1 2 280.328 0.085 20 30 CCEDLO C[N@H+](CCNC(=O)[C@]1(C)CC=CCC1)CC(=O)NCC#N ZINC001492263426 907815772 /nfs/dbraw/zinc/81/57/72/907815772.db2.gz WUOFTDODOXDWSE-OAHLLOKOSA-N 1 2 292.383 0.421 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@]1(C)CC=CCC1)CC(=O)NCC#N ZINC001492263426 907815785 /nfs/dbraw/zinc/81/57/85/907815785.db2.gz WUOFTDODOXDWSE-OAHLLOKOSA-N 1 2 292.383 0.421 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492381343 907891272 /nfs/dbraw/zinc/89/12/72/907891272.db2.gz LPYGFEUDEOJVLR-LBPRGKRZSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492381343 907891285 /nfs/dbraw/zinc/89/12/85/907891285.db2.gz LPYGFEUDEOJVLR-LBPRGKRZSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)NC)C1 ZINC001492406602 907905460 /nfs/dbraw/zinc/90/54/60/907905460.db2.gz DZGKMIBXWHYOCG-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)NC)C1 ZINC001492406602 907905448 /nfs/dbraw/zinc/90/54/48/907905448.db2.gz DZGKMIBXWHYOCG-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO CCCCNC(=O)C[N@H+](C)CCNC(=O)C#CC(C)C ZINC001317443523 908241478 /nfs/dbraw/zinc/24/14/78/908241478.db2.gz LDUARAMPQVJADP-UHFFFAOYSA-N 1 2 281.400 0.610 20 30 CCEDLO CCCCNC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)C ZINC001317443523 908241494 /nfs/dbraw/zinc/24/14/94/908241494.db2.gz LDUARAMPQVJADP-UHFFFAOYSA-N 1 2 281.400 0.610 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOC ZINC001317041486 908725598 /nfs/dbraw/zinc/72/55/98/908725598.db2.gz COYMYMFORWAHRT-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOC ZINC001317041486 908725608 /nfs/dbraw/zinc/72/56/08/908725608.db2.gz COYMYMFORWAHRT-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001316772460 908768102 /nfs/dbraw/zinc/76/81/02/908768102.db2.gz ZKKKMJWHXKGXFQ-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001316772460 908768116 /nfs/dbraw/zinc/76/81/16/908768116.db2.gz ZKKKMJWHXKGXFQ-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001316844281 908801131 /nfs/dbraw/zinc/80/11/31/908801131.db2.gz ZTEKGRHYRCOSKD-UHFFFAOYSA-N 1 2 279.388 0.965 20 30 CCEDLO C=CC(C)(C)C(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001316844281 908801146 /nfs/dbraw/zinc/80/11/46/908801146.db2.gz ZTEKGRHYRCOSKD-UHFFFAOYSA-N 1 2 279.388 0.965 20 30 CCEDLO C#CCCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316964603 908871579 /nfs/dbraw/zinc/87/15/79/908871579.db2.gz VIZBDWUCIKJFDG-UHFFFAOYSA-N 1 2 276.384 0.437 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)CC)CC1 ZINC001316963125 908873434 /nfs/dbraw/zinc/87/34/34/908873434.db2.gz QRTKHLYUZYNJOF-ZDUSSCGKSA-N 1 2 251.374 0.400 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001316975102 908896422 /nfs/dbraw/zinc/89/64/22/908896422.db2.gz VTDGUNXTIJYPFS-CYBMUJFWSA-N 1 2 277.368 0.445 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001316975102 908896442 /nfs/dbraw/zinc/89/64/42/908896442.db2.gz VTDGUNXTIJYPFS-CYBMUJFWSA-N 1 2 277.368 0.445 20 30 CCEDLO N#CCNC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317154292 909018304 /nfs/dbraw/zinc/01/83/04/909018304.db2.gz NKQIEOLSTRMLPR-CYBMUJFWSA-N 1 2 275.356 0.625 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387290512 909095111 /nfs/dbraw/zinc/09/51/11/909095111.db2.gz KYQOFSHOVGZLLM-GHMZBOCLSA-N 1 2 289.339 0.077 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC12CC2 ZINC001317449447 909220767 /nfs/dbraw/zinc/22/07/67/909220767.db2.gz RHFPKFUOEBRIFV-CYBMUJFWSA-N 1 2 293.411 0.917 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC12CC2 ZINC001317449447 909220781 /nfs/dbraw/zinc/22/07/81/909220781.db2.gz RHFPKFUOEBRIFV-CYBMUJFWSA-N 1 2 293.411 0.917 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC001317619346 909413605 /nfs/dbraw/zinc/41/36/05/909413605.db2.gz XEHJIPAASZHQDE-UHFFFAOYSA-N 1 2 295.387 0.896 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001317970474 909555797 /nfs/dbraw/zinc/55/57/97/909555797.db2.gz CQQOQGQBGMRCSF-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001317970474 909555802 /nfs/dbraw/zinc/55/58/02/909555802.db2.gz CQQOQGQBGMRCSF-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001318032016 909592710 /nfs/dbraw/zinc/59/27/10/909592710.db2.gz GMZHZHYZPDCPBQ-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(NC(C)=O)CCCC2)C1 ZINC001318070083 909607008 /nfs/dbraw/zinc/60/70/08/909607008.db2.gz SQMPQCYOSSXLPQ-UHFFFAOYSA-N 1 2 277.368 0.259 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001318319158 909706383 /nfs/dbraw/zinc/70/63/83/909706383.db2.gz GAGZOSTWFLNVHU-CQSZACIVSA-N 1 2 290.367 0.678 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001318319158 909706388 /nfs/dbraw/zinc/70/63/88/909706388.db2.gz GAGZOSTWFLNVHU-CQSZACIVSA-N 1 2 290.367 0.678 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2cccnc2C)C1 ZINC001319323480 910096765 /nfs/dbraw/zinc/09/67/65/910096765.db2.gz YHKNJYORHMIGIT-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2cccnc2C)C1 ZINC001319323480 910096778 /nfs/dbraw/zinc/09/67/78/910096778.db2.gz YHKNJYORHMIGIT-OAHLLOKOSA-N 1 2 289.379 0.936 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC001319553708 910198084 /nfs/dbraw/zinc/19/80/84/910198084.db2.gz ORVDUYRJUQESHC-ZDUSSCGKSA-N 1 2 264.300 0.934 20 30 CCEDLO C#CCOCC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC001319553708 910198090 /nfs/dbraw/zinc/19/80/90/910198090.db2.gz ORVDUYRJUQESHC-ZDUSSCGKSA-N 1 2 264.300 0.934 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H](C)C#N ZINC001390544742 910505204 /nfs/dbraw/zinc/50/52/04/910505204.db2.gz YCPUHFRPNNTYNV-GHMZBOCLSA-N 1 2 277.328 0.054 20 30 CCEDLO C#CCCCC(=O)N(CC)CC[NH2+]Cc1cnon1 ZINC001320721424 910822692 /nfs/dbraw/zinc/82/26/92/910822692.db2.gz BICCPJVWRQHWMU-UHFFFAOYSA-N 1 2 264.329 0.811 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001391450665 911143016 /nfs/dbraw/zinc/14/30/16/911143016.db2.gz MKVXKBFJYCDHMG-UHFFFAOYSA-N 1 2 282.775 0.906 20 30 CCEDLO CC1(C#N)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001321404371 911285677 /nfs/dbraw/zinc/28/56/77/911285677.db2.gz TVRDCWTYVOOZFK-UHFFFAOYSA-N 1 2 289.339 0.152 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1csnn1 ZINC001321842112 911521961 /nfs/dbraw/zinc/52/19/61/911521961.db2.gz LRULMUYZJMCTLV-QWRGUYRKSA-N 1 2 296.396 0.733 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCn1ccnn1 ZINC001392268707 911684990 /nfs/dbraw/zinc/68/49/90/911684990.db2.gz FVFYMZWYEDSILO-UHFFFAOYSA-N 1 2 285.779 0.811 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCn1ccnn1 ZINC001392268707 911684997 /nfs/dbraw/zinc/68/49/97/911684997.db2.gz FVFYMZWYEDSILO-UHFFFAOYSA-N 1 2 285.779 0.811 20 30 CCEDLO C[C@H](C[NH2+]Cc1nnc(C2CC2)o1)NC(=O)[C@H](C)C#N ZINC001392463796 911829674 /nfs/dbraw/zinc/82/96/74/911829674.db2.gz COTFFBGQXRBLIS-RKDXNWHRSA-N 1 2 277.328 0.701 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001322881200 912001105 /nfs/dbraw/zinc/00/11/05/912001105.db2.gz VASQBCLYJOBOJN-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643771 912033410 /nfs/dbraw/zinc/03/34/10/912033410.db2.gz TXBRIINIGIWARV-RYUDHWBXSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001392643771 912033427 /nfs/dbraw/zinc/03/34/27/912033427.db2.gz TXBRIINIGIWARV-RYUDHWBXSA-N 1 2 289.383 0.925 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323199030 912177645 /nfs/dbraw/zinc/17/76/45/912177645.db2.gz MZEQPOSKOCAIPI-CABCVRRESA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323199030 912177649 /nfs/dbraw/zinc/17/76/49/912177649.db2.gz MZEQPOSKOCAIPI-CABCVRRESA-N 1 2 294.395 0.808 20 30 CCEDLO N#C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC001328105191 914969845 /nfs/dbraw/zinc/96/98/45/914969845.db2.gz KELYGMCJOYIDJY-GWCFXTLKSA-N 1 2 276.365 0.961 20 30 CCEDLO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1[nH]ncc1F ZINC001329126935 915688853 /nfs/dbraw/zinc/68/88/53/915688853.db2.gz PXVFCKDJACHECE-UWVGGRQHSA-N 1 2 282.319 0.295 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001400504862 915781568 /nfs/dbraw/zinc/78/15/68/915781568.db2.gz PRNLBIQMLWPHOT-LBPRGKRZSA-N 1 2 299.802 0.655 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001329371081 915849096 /nfs/dbraw/zinc/84/90/96/915849096.db2.gz JWGZBYZIAJWXJN-VIFPVBQESA-N 1 2 261.753 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001329371081 915849106 /nfs/dbraw/zinc/84/91/06/915849106.db2.gz JWGZBYZIAJWXJN-VIFPVBQESA-N 1 2 261.753 0.312 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001329705000 916139296 /nfs/dbraw/zinc/13/92/96/916139296.db2.gz ICDOPCKHNZNXMJ-KGLIPLIRSA-N 1 2 278.396 0.999 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330169819 916448432 /nfs/dbraw/zinc/44/84/32/916448432.db2.gz FGRONVLXXMPXRE-NSHDSACASA-N 1 2 297.374 0.311 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001330169819 916448443 /nfs/dbraw/zinc/44/84/43/916448443.db2.gz FGRONVLXXMPXRE-NSHDSACASA-N 1 2 297.374 0.311 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]([NH2+]Cc1csnn1)C1CC1 ZINC001402262735 916906074 /nfs/dbraw/zinc/90/60/74/916906074.db2.gz NDAQRYGUOPEXPS-KWQFWETISA-N 1 2 279.369 0.682 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001331773314 917592391 /nfs/dbraw/zinc/59/23/91/917592391.db2.gz UGCYSSMHFQONLD-NEPJUHHUSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001403634921 917868725 /nfs/dbraw/zinc/86/87/25/917868725.db2.gz GGODLIHSUOTWRW-VXGBXAGGSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001403634921 917868736 /nfs/dbraw/zinc/86/87/36/917868736.db2.gz GGODLIHSUOTWRW-VXGBXAGGSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403932703 918134421 /nfs/dbraw/zinc/13/44/21/918134421.db2.gz OVUWEBRNOOPUJT-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403932703 918134434 /nfs/dbraw/zinc/13/44/34/918134434.db2.gz OVUWEBRNOOPUJT-UHFFFAOYSA-N 1 2 298.774 0.918 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn(C)nn1 ZINC001332447032 918162306 /nfs/dbraw/zinc/16/23/06/918162306.db2.gz BEPBJZHRTUJNIO-VIFPVBQESA-N 1 2 258.347 0.067 20 30 CCEDLO CCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001404046123 918181331 /nfs/dbraw/zinc/18/13/31/918181331.db2.gz VMZAORWXCTXZQO-WDEREUQCSA-N 1 2 291.355 0.730 20 30 CCEDLO CCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001404046123 918181338 /nfs/dbraw/zinc/18/13/38/918181338.db2.gz VMZAORWXCTXZQO-WDEREUQCSA-N 1 2 291.355 0.730 20 30 CCEDLO C=CCN(C)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001332526707 918255295 /nfs/dbraw/zinc/25/52/95/918255295.db2.gz WYXCXWUEEBECFS-UHFFFAOYSA-N 1 2 280.376 0.406 20 30 CCEDLO C=C[C@H](COC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001332557933 918275027 /nfs/dbraw/zinc/27/50/27/918275027.db2.gz ITACCXRKVCXERJ-CNELAYHGSA-N 1 2 268.357 0.582 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001404698797 918431510 /nfs/dbraw/zinc/43/15/10/918431510.db2.gz AOBXDCPCXKYWFX-JQWIXIFHSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404698797 918431518 /nfs/dbraw/zinc/43/15/18/918431518.db2.gz AOBXDCPCXKYWFX-JQWIXIFHSA-N 1 2 278.356 0.005 20 30 CCEDLO COc1cc[nH+]cc1Cn1cc(CNCC#N)nn1 ZINC001333124684 918669443 /nfs/dbraw/zinc/66/94/43/918669443.db2.gz JSEOOJBDJRRMEJ-UHFFFAOYSA-N 1 2 258.285 0.343 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001333789781 919164554 /nfs/dbraw/zinc/16/45/54/919164554.db2.gz NOOCXIGMINKLAH-SDDRHHMPSA-N 1 2 261.325 0.965 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001333789781 919164564 /nfs/dbraw/zinc/16/45/64/919164564.db2.gz NOOCXIGMINKLAH-SDDRHHMPSA-N 1 2 261.325 0.965 20 30 CCEDLO C#CCN(C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001334257970 919463008 /nfs/dbraw/zinc/46/30/08/919463008.db2.gz FCOXCVLLVZVKGL-LBPRGKRZSA-N 1 2 288.351 0.184 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC001334644203 919687423 /nfs/dbraw/zinc/68/74/23/919687423.db2.gz MXCYIVRZTIRMFC-OLZOCXBDSA-N 1 2 250.346 0.427 20 30 CCEDLO C[NH2+]C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCCCC1 ZINC001413911632 920436027 /nfs/dbraw/zinc/43/60/27/920436027.db2.gz LEVRTELTPQPGHL-UHFFFAOYSA-N 1 2 291.355 0.279 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC001336066435 920592765 /nfs/dbraw/zinc/59/27/65/920592765.db2.gz HLZGITGYJCBUNX-UHFFFAOYSA-N 1 2 267.354 0.688 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)N(C)c1nccs1 ZINC001336066435 920592776 /nfs/dbraw/zinc/59/27/76/920592776.db2.gz HLZGITGYJCBUNX-UHFFFAOYSA-N 1 2 267.354 0.688 20 30 CCEDLO C=CCn1cc(CNC(=O)C[C@@H]([NH3+])C(F)F)nn1 ZINC001340516143 922109214 /nfs/dbraw/zinc/10/92/14/922109214.db2.gz YPRRLILHRDAAPY-MRVPVSSYSA-N 1 2 259.260 0.063 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC001418448115 922123056 /nfs/dbraw/zinc/12/30/56/922123056.db2.gz KGAMJIDHASZXJU-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC001418448115 922123070 /nfs/dbraw/zinc/12/30/70/922123070.db2.gz KGAMJIDHASZXJU-QWHCGFSZSA-N 1 2 294.399 0.453 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)F)n2C)CC1 ZINC001341655249 922608608 /nfs/dbraw/zinc/60/86/08/922608608.db2.gz RNEOEFAJVLHVIF-UHFFFAOYSA-N 1 2 265.336 0.775 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419128866 922652533 /nfs/dbraw/zinc/65/25/33/922652533.db2.gz BMIUYEZUIXCAFY-RYUDHWBXSA-N 1 2 290.371 0.398 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419128866 922652544 /nfs/dbraw/zinc/65/25/44/922652544.db2.gz BMIUYEZUIXCAFY-RYUDHWBXSA-N 1 2 290.371 0.398 20 30 CCEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001341780275 922673088 /nfs/dbraw/zinc/67/30/88/922673088.db2.gz NZCDWTAKNWSALJ-QWHCGFSZSA-N 1 2 279.384 0.764 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001419713611 923027554 /nfs/dbraw/zinc/02/75/54/923027554.db2.gz PAVFTCXVSRRYNN-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO C=CCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001343179099 923225716 /nfs/dbraw/zinc/22/57/16/923225716.db2.gz GTVYRZDHGWPITJ-RKDXNWHRSA-N 1 2 296.339 0.171 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)CC(N)=O ZINC001420472721 923696096 /nfs/dbraw/zinc/69/60/96/923696096.db2.gz VSVXXTCAPYUCPB-KOLCDFICSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CC(N)=O ZINC001420472721 923696107 /nfs/dbraw/zinc/69/61/07/923696107.db2.gz VSVXXTCAPYUCPB-KOLCDFICSA-N 1 2 287.791 0.831 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001346766909 924307666 /nfs/dbraw/zinc/30/76/66/924307666.db2.gz MWXIMHJRSZNSON-ZFWWWQNUSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001346766909 924307672 /nfs/dbraw/zinc/30/76/72/924307672.db2.gz MWXIMHJRSZNSON-ZFWWWQNUSA-N 1 2 292.427 0.676 20 30 CCEDLO C=C(CC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001346984515 924345977 /nfs/dbraw/zinc/34/59/77/924345977.db2.gz CJCOLTXYAAYUDK-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001347183513 924391198 /nfs/dbraw/zinc/39/11/98/924391198.db2.gz ANYPBABLQWRPTD-JSGCOSHPSA-N 1 2 280.416 0.981 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001347183513 924391208 /nfs/dbraw/zinc/39/12/08/924391208.db2.gz ANYPBABLQWRPTD-JSGCOSHPSA-N 1 2 280.416 0.981 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001348485746 924702442 /nfs/dbraw/zinc/70/24/42/924702442.db2.gz SUTUYDADPNJSTH-CYBMUJFWSA-N 1 2 267.329 0.680 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001351289606 925397456 /nfs/dbraw/zinc/39/74/56/925397456.db2.gz XNUNCRAWHQXSLT-VIFPVBQESA-N 1 2 250.327 0.571 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001352310886 925558953 /nfs/dbraw/zinc/55/89/53/925558953.db2.gz VTHZXUATBIKDAP-SLEUVZQESA-N 1 2 291.399 0.668 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001352310886 925558958 /nfs/dbraw/zinc/55/89/58/925558958.db2.gz VTHZXUATBIKDAP-SLEUVZQESA-N 1 2 291.399 0.668 20 30 CCEDLO CCC(=O)NCCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001352630730 925608846 /nfs/dbraw/zinc/60/88/46/925608846.db2.gz JBZXHCLASPGAMM-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO COC(=O)CCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC001352925959 925674715 /nfs/dbraw/zinc/67/47/15/925674715.db2.gz QCQZMZQOXDFDNN-UHFFFAOYSA-N 1 2 263.297 0.979 20 30 CCEDLO C=CCCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001358867611 926856308 /nfs/dbraw/zinc/85/63/08/926856308.db2.gz GLJOIBDGHTVIHW-STQMWFEESA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cn1 ZINC001361646397 927217870 /nfs/dbraw/zinc/21/78/70/927217870.db2.gz AYGKZKNWMNIFJU-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO CN(C)[C@@H](C(=O)Nc1cnn(CC#N)c1)c1c[nH+]cn1C ZINC001362085659 927598672 /nfs/dbraw/zinc/59/86/72/927598672.db2.gz PXPAVRSEJSCCGO-GFCCVEGCSA-N 1 2 287.327 0.382 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285553 928494713 /nfs/dbraw/zinc/49/47/13/928494713.db2.gz SXBPBLJVNVPIAY-WCQYABFASA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285553 928494721 /nfs/dbraw/zinc/49/47/21/928494721.db2.gz SXBPBLJVNVPIAY-WCQYABFASA-N 1 2 289.383 0.906 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cncs1 ZINC001426156776 928776488 /nfs/dbraw/zinc/77/64/88/928776488.db2.gz UCUZYOMKWFXLMZ-NSHDSACASA-N 1 2 296.396 0.867 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cncs1 ZINC001426156776 928776496 /nfs/dbraw/zinc/77/64/96/928776496.db2.gz UCUZYOMKWFXLMZ-NSHDSACASA-N 1 2 296.396 0.867 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC(C)(C)C)C1 ZINC001443574497 929649778 /nfs/dbraw/zinc/64/97/78/929649778.db2.gz XSVQHTUOSSDUAC-SNVBAGLBSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001443993880 929760970 /nfs/dbraw/zinc/76/09/70/929760970.db2.gz NLACFAPYTYGPOH-WDEREUQCSA-N 1 2 291.355 0.465 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC001444337882 929844052 /nfs/dbraw/zinc/84/40/52/929844052.db2.gz LKTNKDNRCLNQHH-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC001444337882 929844061 /nfs/dbraw/zinc/84/40/61/929844061.db2.gz LKTNKDNRCLNQHH-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001444337882 929844067 /nfs/dbraw/zinc/84/40/67/929844067.db2.gz LKTNKDNRCLNQHH-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001444337882 929844073 /nfs/dbraw/zinc/84/40/73/929844073.db2.gz LKTNKDNRCLNQHH-UHFFFAOYSA-N 1 2 291.311 0.407 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001374258544 930469788 /nfs/dbraw/zinc/46/97/88/930469788.db2.gz HQQFDCCLEPJYHD-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001374752364 930649158 /nfs/dbraw/zinc/64/91/58/930649158.db2.gz WHNDCEBIYUINCD-JTQLQIEISA-N 1 2 297.318 0.435 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001375005744 930755958 /nfs/dbraw/zinc/75/59/58/930755958.db2.gz YCYQKQFKDKOJFK-JTQLQIEISA-N 1 2 275.780 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001375005744 930755965 /nfs/dbraw/zinc/75/59/65/930755965.db2.gz YCYQKQFKDKOJFK-JTQLQIEISA-N 1 2 275.780 0.654 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001448023639 930790611 /nfs/dbraw/zinc/79/06/11/930790611.db2.gz NMIUATOUHYFSEW-TUAOUCFPSA-N 1 2 261.325 0.905 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116095 931054179 /nfs/dbraw/zinc/05/41/79/931054179.db2.gz NNSULDGZEGHHTJ-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116095 931054186 /nfs/dbraw/zinc/05/41/86/931054186.db2.gz NNSULDGZEGHHTJ-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451234187 931403601 /nfs/dbraw/zinc/40/36/01/931403601.db2.gz QZYUKIVNEHCESI-UWVGGRQHSA-N 1 2 277.328 0.075 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000092799369 349506255 /nfs/dbraw/zinc/50/62/55/349506255.db2.gz VGSZZDAMEKTGRQ-UHFFFAOYSA-N 1 2 278.356 0.055 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000092799369 349506258 /nfs/dbraw/zinc/50/62/58/349506258.db2.gz VGSZZDAMEKTGRQ-UHFFFAOYSA-N 1 2 278.356 0.055 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)NCCC ZINC000297708862 260132450 /nfs/dbraw/zinc/13/24/50/260132450.db2.gz AVJROGYTWOFKSL-LBPRGKRZSA-N 1 2 267.373 0.363 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599580147 361751272 /nfs/dbraw/zinc/75/12/72/361751272.db2.gz HHKGYONLZIGLSW-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599580147 361751273 /nfs/dbraw/zinc/75/12/73/361751273.db2.gz HHKGYONLZIGLSW-VXGBXAGGSA-N 1 2 285.340 0.616 20 30 CCEDLO CCOC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620852 361761064 /nfs/dbraw/zinc/76/10/64/361761064.db2.gz VXWNQPCPBXHGBS-QWHCGFSZSA-N 1 2 283.372 0.484 20 30 CCEDLO CCOC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620852 361761067 /nfs/dbraw/zinc/76/10/67/361761067.db2.gz VXWNQPCPBXHGBS-QWHCGFSZSA-N 1 2 283.372 0.484 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666083 361779826 /nfs/dbraw/zinc/77/98/26/361779826.db2.gz XEAGMNKJNIDIMB-ZDUSSCGKSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666083 361779831 /nfs/dbraw/zinc/77/98/31/361779831.db2.gz XEAGMNKJNIDIMB-ZDUSSCGKSA-N 1 2 289.335 0.513 20 30 CCEDLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)ncc1C#N ZINC000600420034 361954865 /nfs/dbraw/zinc/95/48/65/361954865.db2.gz IAMNWYGVDUTRIS-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)ncc1C#N ZINC000600420034 361954868 /nfs/dbraw/zinc/95/48/68/361954868.db2.gz IAMNWYGVDUTRIS-GFCCVEGCSA-N 1 2 274.324 0.322 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000600422992 361957975 /nfs/dbraw/zinc/95/79/75/361957975.db2.gz YOEVSEZVOGFSSX-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000600422992 361957978 /nfs/dbraw/zinc/95/79/78/361957978.db2.gz YOEVSEZVOGFSSX-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721182 365726119 /nfs/dbraw/zinc/72/61/19/365726119.db2.gz MGKPEDQALQIOPS-DGAVXFQQSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721182 365726125 /nfs/dbraw/zinc/72/61/25/365726125.db2.gz MGKPEDQALQIOPS-DGAVXFQQSA-N 1 2 282.384 0.803 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617719512 365724517 /nfs/dbraw/zinc/72/45/17/365724517.db2.gz OASCRRHEIVMAMK-MDZLAQPJSA-N 1 2 256.346 0.149 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617719512 365724519 /nfs/dbraw/zinc/72/45/19/365724519.db2.gz OASCRRHEIVMAMK-MDZLAQPJSA-N 1 2 256.346 0.149 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333708237 529783911 /nfs/dbraw/zinc/78/39/11/529783911.db2.gz IAOZKYSQBYOQCL-TUAOUCFPSA-N 1 2 266.345 0.308 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333708237 529783912 /nfs/dbraw/zinc/78/39/12/529783912.db2.gz IAOZKYSQBYOQCL-TUAOUCFPSA-N 1 2 266.345 0.308 20 30 CCEDLO CNC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425244996 529890071 /nfs/dbraw/zinc/89/00/71/529890071.db2.gz SYBUZSPKVQMIQN-NSHDSACASA-N 1 2 259.313 0.769 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000116889052 349876629 /nfs/dbraw/zinc/87/66/29/349876629.db2.gz CCIWMJJGAGJMFU-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000116889052 349876632 /nfs/dbraw/zinc/87/66/32/349876632.db2.gz CCIWMJJGAGJMFU-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000295082562 232001581 /nfs/dbraw/zinc/00/15/81/232001581.db2.gz BGCYDCUJEQQMMT-CYBMUJFWSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000295082562 232001584 /nfs/dbraw/zinc/00/15/84/232001584.db2.gz BGCYDCUJEQQMMT-CYBMUJFWSA-N 1 2 250.273 0.890 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602029818 362463800 /nfs/dbraw/zinc/46/38/00/362463800.db2.gz YQAKDTYTJRXKBO-OLZOCXBDSA-N 1 2 298.339 0.599 20 30 CCEDLO C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000330156855 530053232 /nfs/dbraw/zinc/05/32/32/530053232.db2.gz YXUMSVJFGXMCMG-NSHDSACASA-N 1 2 289.401 0.115 20 30 CCEDLO C[N@H+]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000330156855 530053233 /nfs/dbraw/zinc/05/32/33/530053233.db2.gz YXUMSVJFGXMCMG-NSHDSACASA-N 1 2 289.401 0.115 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000329027801 530070091 /nfs/dbraw/zinc/07/00/91/530070091.db2.gz KHBFPLNHQRTKIW-ZDUSSCGKSA-N 1 2 298.431 0.553 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000329027801 530070092 /nfs/dbraw/zinc/07/00/92/530070092.db2.gz KHBFPLNHQRTKIW-ZDUSSCGKSA-N 1 2 298.431 0.553 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]n1CCC#N ZINC000602131278 362509346 /nfs/dbraw/zinc/50/93/46/362509346.db2.gz AKXXZSDQUQTMNO-GHMZBOCLSA-N 1 2 284.323 0.992 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000602131278 362509352 /nfs/dbraw/zinc/50/93/52/362509352.db2.gz AKXXZSDQUQTMNO-GHMZBOCLSA-N 1 2 284.323 0.992 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339213346 136591220 /nfs/dbraw/zinc/59/12/20/136591220.db2.gz JHCHIZNKAWRWCV-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccn2)C[C@H](C)N1CC#N ZINC000602847390 362834552 /nfs/dbraw/zinc/83/45/52/362834552.db2.gz BAGMENADKXXFOD-BETUJISGSA-N 1 2 287.367 0.938 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccn2)C[C@H](C)N1CC#N ZINC000602847390 362834555 /nfs/dbraw/zinc/83/45/55/362834555.db2.gz BAGMENADKXXFOD-BETUJISGSA-N 1 2 287.367 0.938 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](C)N1CC#N ZINC000602855241 362842139 /nfs/dbraw/zinc/84/21/39/362842139.db2.gz GVLSCGMBHJGZLN-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](C)N1CC#N ZINC000602855241 362842142 /nfs/dbraw/zinc/84/21/42/362842142.db2.gz GVLSCGMBHJGZLN-TXEJJXNPSA-N 1 2 250.346 0.137 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H](C)N1CC#N ZINC000602857926 362844213 /nfs/dbraw/zinc/84/42/13/362844213.db2.gz XAMUBYCTYBZBTF-RYUDHWBXSA-N 1 2 266.389 0.819 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)c(O)co2)C[C@H](C)N1CC#N ZINC000602858464 362844227 /nfs/dbraw/zinc/84/42/27/362844227.db2.gz SJYPQJNIBKZSHV-PHIMTYICSA-N 1 2 277.324 0.764 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cc(=O)c(O)co2)C[C@H](C)N1CC#N ZINC000602858464 362844230 /nfs/dbraw/zinc/84/42/30/362844230.db2.gz SJYPQJNIBKZSHV-PHIMTYICSA-N 1 2 277.324 0.764 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC(O)C1 ZINC000343723180 137152642 /nfs/dbraw/zinc/15/26/42/137152642.db2.gz AVQAIHUGOXESBV-UHFFFAOYSA-N 1 2 295.364 0.182 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC(O)C1 ZINC000343723180 137152643 /nfs/dbraw/zinc/15/26/43/137152643.db2.gz AVQAIHUGOXESBV-UHFFFAOYSA-N 1 2 295.364 0.182 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC(C)(C)O ZINC000343801202 137158455 /nfs/dbraw/zinc/15/84/55/137158455.db2.gz SUDZQRXNCPNDHQ-UHFFFAOYSA-N 1 2 297.380 0.430 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC(C)(C)O ZINC000343801202 137158456 /nfs/dbraw/zinc/15/84/56/137158456.db2.gz SUDZQRXNCPNDHQ-UHFFFAOYSA-N 1 2 297.380 0.430 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000339362007 215121321 /nfs/dbraw/zinc/12/13/21/215121321.db2.gz NGTGVZPPUPJFGD-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000339362007 215121324 /nfs/dbraw/zinc/12/13/24/215121324.db2.gz NGTGVZPPUPJFGD-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000602868017 362850291 /nfs/dbraw/zinc/85/02/91/362850291.db2.gz GXLKQJYQAOZOOZ-BQBZGAKWSA-N 1 2 280.250 0.655 20 30 CCEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](n3ccnn3)C2)ccc1F ZINC000602875042 362855523 /nfs/dbraw/zinc/85/55/23/362855523.db2.gz JIHIZWQNPFLSSS-ZIAGYGMSSA-N 1 2 287.298 0.707 20 30 CCEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](n3ccnn3)C2)ccc1F ZINC000602875042 362855528 /nfs/dbraw/zinc/85/55/28/362855528.db2.gz JIHIZWQNPFLSSS-ZIAGYGMSSA-N 1 2 287.298 0.707 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000042260108 348272085 /nfs/dbraw/zinc/27/20/85/348272085.db2.gz OXNQQPGUDKZMNZ-UHFFFAOYSA-N 1 2 276.321 0.733 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000602908438 362880103 /nfs/dbraw/zinc/88/01/03/362880103.db2.gz PTGFPPBQEYBRCJ-GXFFZTMASA-N 1 2 295.364 0.376 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000602908438 362880112 /nfs/dbraw/zinc/88/01/12/362880112.db2.gz PTGFPPBQEYBRCJ-GXFFZTMASA-N 1 2 295.364 0.376 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000046059895 348349082 /nfs/dbraw/zinc/34/90/82/348349082.db2.gz HLPAHLHDNDTBKA-ZDUSSCGKSA-N 1 2 296.415 0.757 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCOCC2)cc1 ZINC000054230047 348545463 /nfs/dbraw/zinc/54/54/63/348545463.db2.gz ZPERYLISUXJBGA-UHFFFAOYSA-N 1 2 293.323 0.191 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000051855850 348496873 /nfs/dbraw/zinc/49/68/73/348496873.db2.gz CLRFTBCQUUKDMR-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000051855850 348496874 /nfs/dbraw/zinc/49/68/74/348496874.db2.gz CLRFTBCQUUKDMR-GFCCVEGCSA-N 1 2 282.388 0.451 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052635976 348512403 /nfs/dbraw/zinc/51/24/03/348512403.db2.gz KZUJXQYPCOVYCK-CYBMUJFWSA-N 1 2 274.368 0.894 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC)CC(=O)N(C)C ZINC000056510957 348592045 /nfs/dbraw/zinc/59/20/45/348592045.db2.gz VXFHOSXBJAYXOK-UHFFFAOYSA-N 1 2 281.400 0.987 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC)CC(=O)N(C)C ZINC000056510957 348592046 /nfs/dbraw/zinc/59/20/46/348592046.db2.gz VXFHOSXBJAYXOK-UHFFFAOYSA-N 1 2 281.400 0.987 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2CC2)cc1OC ZINC000060552674 348646044 /nfs/dbraw/zinc/64/60/44/348646044.db2.gz QWZVEOLPZYPWNU-UHFFFAOYSA-N 1 2 293.323 0.619 20 30 CCEDLO N#CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000072949062 348938312 /nfs/dbraw/zinc/93/83/12/348938312.db2.gz DJDAWPKVYXPAHR-UHFFFAOYSA-N 1 2 299.378 0.718 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000070921267 348898951 /nfs/dbraw/zinc/89/89/51/348898951.db2.gz ZOPTWQQGDZAVOO-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000083172407 349303376 /nfs/dbraw/zinc/30/33/76/349303376.db2.gz SAFNTTIBKQXKKD-QWRGUYRKSA-N 1 2 277.349 0.792 20 30 CCEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1=O ZINC000083172407 349303379 /nfs/dbraw/zinc/30/33/79/349303379.db2.gz SAFNTTIBKQXKKD-QWRGUYRKSA-N 1 2 277.349 0.792 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1(C)C ZINC000122066831 350061278 /nfs/dbraw/zinc/06/12/78/350061278.db2.gz JPUDOURAUOKMDW-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1(C)C ZINC000122066831 350061284 /nfs/dbraw/zinc/06/12/84/350061284.db2.gz JPUDOURAUOKMDW-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135506254 350398396 /nfs/dbraw/zinc/39/83/96/350398396.db2.gz KMLMMYRGXMWJHP-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135506254 350398397 /nfs/dbraw/zinc/39/83/97/350398397.db2.gz KMLMMYRGXMWJHP-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000165958059 350794659 /nfs/dbraw/zinc/79/46/59/350794659.db2.gz JTNHCZWAZLERKF-SNVBAGLBSA-N 1 2 291.336 0.517 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172182486 350963852 /nfs/dbraw/zinc/96/38/52/350963852.db2.gz NBCZEWNZSAXXIJ-OAHLLOKOSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172182486 350963855 /nfs/dbraw/zinc/96/38/55/350963855.db2.gz NBCZEWNZSAXXIJ-OAHLLOKOSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172185451 350964907 /nfs/dbraw/zinc/96/49/07/350964907.db2.gz GHNQPLMOIGTULC-OAHLLOKOSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172185451 350964909 /nfs/dbraw/zinc/96/49/09/350964909.db2.gz GHNQPLMOIGTULC-OAHLLOKOSA-N 1 2 273.336 0.895 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)NCc1cccs1 ZINC000174528811 351090511 /nfs/dbraw/zinc/09/05/11/351090511.db2.gz OCPWFQDFYBNAPU-UHFFFAOYSA-N 1 2 289.360 0.642 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175884034 351147511 /nfs/dbraw/zinc/14/75/11/351147511.db2.gz JBHTYEJGIUVHLY-GFCCVEGCSA-N 1 2 280.372 0.120 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175884034 351147515 /nfs/dbraw/zinc/14/75/15/351147515.db2.gz JBHTYEJGIUVHLY-GFCCVEGCSA-N 1 2 280.372 0.120 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603238725 363018179 /nfs/dbraw/zinc/01/81/79/363018179.db2.gz XGURMBHYPKGAJJ-LBPRGKRZSA-N 1 2 280.328 0.053 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181279989 351310384 /nfs/dbraw/zinc/31/03/84/351310384.db2.gz KIWLTSAXKJOSPZ-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181279989 351310389 /nfs/dbraw/zinc/31/03/89/351310389.db2.gz KIWLTSAXKJOSPZ-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO C[C@@H](C#N)CN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603298662 363053576 /nfs/dbraw/zinc/05/35/76/363053576.db2.gz XWGJXHRDUHPZIW-NSHDSACASA-N 1 2 282.369 0.837 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189437898 351679494 /nfs/dbraw/zinc/67/94/94/351679494.db2.gz UQPWIMGNZZHGFP-ZIAGYGMSSA-N 1 2 282.384 0.923 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189437898 351679499 /nfs/dbraw/zinc/67/94/99/351679499.db2.gz UQPWIMGNZZHGFP-ZIAGYGMSSA-N 1 2 282.384 0.923 20 30 CCEDLO N#CCC1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603388845 363105978 /nfs/dbraw/zinc/10/59/78/363105978.db2.gz SVYSJEKZENNRDV-UHFFFAOYSA-N 1 2 254.315 0.058 20 30 CCEDLO Cc1nc(N2C[C@@H](C)N(CC#N)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000603399659 363111673 /nfs/dbraw/zinc/11/16/73/363111673.db2.gz HTSPWDZIOXPVSW-GHMZBOCLSA-N 1 2 289.387 0.669 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246639312 352376948 /nfs/dbraw/zinc/37/69/48/352376948.db2.gz OUAHEKREJHIZGT-GHMZBOCLSA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246639312 352376950 /nfs/dbraw/zinc/37/69/50/352376950.db2.gz OUAHEKREJHIZGT-GHMZBOCLSA-N 1 2 251.330 0.032 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000249017225 352473504 /nfs/dbraw/zinc/47/35/04/352473504.db2.gz PWGHNMNJOHHNDQ-GJZGRUSLSA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000249017225 352473505 /nfs/dbraw/zinc/47/35/05/352473505.db2.gz PWGHNMNJOHHNDQ-GJZGRUSLSA-N 1 2 293.367 0.286 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265391332 352635155 /nfs/dbraw/zinc/63/51/55/352635155.db2.gz UOTHMFOJVCGQDN-INIZCTEOSA-N 1 2 298.390 0.907 20 30 CCEDLO CN1CC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265391332 352635156 /nfs/dbraw/zinc/63/51/56/352635156.db2.gz UOTHMFOJVCGQDN-INIZCTEOSA-N 1 2 298.390 0.907 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)nc1 ZINC000292311424 198239822 /nfs/dbraw/zinc/23/98/22/198239822.db2.gz NKVYCJUOLCZECB-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292325963 198245121 /nfs/dbraw/zinc/24/51/21/198245121.db2.gz WBGNVSJSYMPRQM-PWSUYJOCSA-N 1 2 299.338 0.691 20 30 CCEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292325963 198245122 /nfs/dbraw/zinc/24/51/22/198245122.db2.gz WBGNVSJSYMPRQM-PWSUYJOCSA-N 1 2 299.338 0.691 20 30 CCEDLO CC#CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000277626990 353255423 /nfs/dbraw/zinc/25/54/23/353255423.db2.gz BTWIEBPBNRGHJG-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC000279380213 353305078 /nfs/dbraw/zinc/30/50/78/353305078.db2.gz UETGMTOLKLGPIJ-LLVKDONJSA-N 1 2 276.340 0.679 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000280355037 353357456 /nfs/dbraw/zinc/35/74/56/353357456.db2.gz XASNHLYTKAFBHC-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cn1 ZINC000280355037 353357458 /nfs/dbraw/zinc/35/74/58/353357458.db2.gz XASNHLYTKAFBHC-UHFFFAOYSA-N 1 2 292.364 0.493 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000282417016 353421633 /nfs/dbraw/zinc/42/16/33/353421633.db2.gz DNCYIICDGVMNCX-GFCCVEGCSA-N 1 2 267.354 0.516 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000282417016 353421634 /nfs/dbraw/zinc/42/16/34/353421634.db2.gz DNCYIICDGVMNCX-GFCCVEGCSA-N 1 2 267.354 0.516 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287374664 353641970 /nfs/dbraw/zinc/64/19/70/353641970.db2.gz MPSFQPUPIIXDON-GHMZBOCLSA-N 1 2 295.364 0.376 20 30 CCEDLO CC(C)[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290330185 353721746 /nfs/dbraw/zinc/72/17/46/353721746.db2.gz OWEHCYYFUMGVFX-UHFFFAOYSA-N 1 2 297.380 0.430 20 30 CCEDLO CC(C)[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290330185 353721748 /nfs/dbraw/zinc/72/17/48/353721748.db2.gz OWEHCYYFUMGVFX-UHFFFAOYSA-N 1 2 297.380 0.430 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295431178 353894077 /nfs/dbraw/zinc/89/40/77/353894077.db2.gz DBIAZTZTJDOSSG-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295431178 353894078 /nfs/dbraw/zinc/89/40/78/353894078.db2.gz DBIAZTZTJDOSSG-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000299255741 354002888 /nfs/dbraw/zinc/00/28/88/354002888.db2.gz GXIVVASWPJJYBB-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329760478 354259719 /nfs/dbraw/zinc/25/97/19/354259719.db2.gz QEVKGUONXYVHAJ-SCRDCRAPSA-N 1 2 284.404 0.303 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329760478 354259722 /nfs/dbraw/zinc/25/97/22/354259722.db2.gz QEVKGUONXYVHAJ-SCRDCRAPSA-N 1 2 284.404 0.303 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1F ZINC000332255871 354635318 /nfs/dbraw/zinc/63/53/18/354635318.db2.gz MTJNGCWCPQXKEO-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1F ZINC000332255871 354635321 /nfs/dbraw/zinc/63/53/21/354635321.db2.gz MTJNGCWCPQXKEO-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000116271366 283044212 /nfs/dbraw/zinc/04/42/12/283044212.db2.gz NCOIMFCQFKPWSN-CYBMUJFWSA-N 1 2 285.351 0.306 20 30 CCEDLO Cc1ncc(S(=O)(=O)NCc2[nH+]ccn2C)cc1C#N ZINC000336842546 355213583 /nfs/dbraw/zinc/21/35/83/355213583.db2.gz UWXIDPYDVFJJKM-UHFFFAOYSA-N 1 2 291.336 0.474 20 30 CCEDLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000336962355 355234302 /nfs/dbraw/zinc/23/43/02/355234302.db2.gz FATTWRQTLNVERR-LLVKDONJSA-N 1 2 287.327 0.456 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)C1=O ZINC000338339722 355325625 /nfs/dbraw/zinc/32/56/25/355325625.db2.gz DIFLSKOLMACRJH-GRYCIOLGSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)C1=O ZINC000338339722 355325627 /nfs/dbraw/zinc/32/56/27/355325627.db2.gz DIFLSKOLMACRJH-GRYCIOLGSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)C1=O ZINC000337179673 355279054 /nfs/dbraw/zinc/27/90/54/355279054.db2.gz ADDSNLDTTUZFJE-IHRRRGAJSA-N 1 2 292.379 0.843 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)C1=O ZINC000337179673 355279055 /nfs/dbraw/zinc/27/90/55/355279055.db2.gz ADDSNLDTTUZFJE-IHRRRGAJSA-N 1 2 292.379 0.843 20 30 CCEDLO CCS(=O)(=O)NCCCNc1cc(C)[nH+]cc1C#N ZINC000425217159 235274799 /nfs/dbraw/zinc/27/47/99/235274799.db2.gz AYQOJIYDODKLFA-UHFFFAOYSA-N 1 2 282.369 0.425 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCNC1=O ZINC000340222538 355529056 /nfs/dbraw/zinc/52/90/56/355529056.db2.gz PQMFJWOAZSBERP-GFCCVEGCSA-N 1 2 272.308 0.317 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCNC1=O ZINC000340222538 355529059 /nfs/dbraw/zinc/52/90/59/355529059.db2.gz PQMFJWOAZSBERP-GFCCVEGCSA-N 1 2 272.308 0.317 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000342275339 355728566 /nfs/dbraw/zinc/72/85/66/355728566.db2.gz XFDGSUGVQISFOY-LBPRGKRZSA-N 1 2 290.367 0.911 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccnc(C#N)c1 ZINC000353657267 356266751 /nfs/dbraw/zinc/26/67/51/356266751.db2.gz NKSGMOZFQHYBKX-UHFFFAOYSA-N 1 2 255.281 0.959 20 30 CCEDLO N#Cc1c(Cl)nsc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000361998477 138041697 /nfs/dbraw/zinc/04/16/97/138041697.db2.gz SJZLXSPEADSKFN-UHFFFAOYSA-N 1 2 299.787 0.666 20 30 CCEDLO N#Cc1c(Cl)nsc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000361998477 138041698 /nfs/dbraw/zinc/04/16/98/138041698.db2.gz SJZLXSPEADSKFN-UHFFFAOYSA-N 1 2 299.787 0.666 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362263778 138053092 /nfs/dbraw/zinc/05/30/92/138053092.db2.gz XHBHKYKDAMAWMI-ZDUSSCGKSA-N 1 2 288.351 0.443 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@](F)(C#N)C1 ZINC000619445375 366255351 /nfs/dbraw/zinc/25/53/51/366255351.db2.gz XOXFVBYNJQPYNW-GFCCVEGCSA-N 1 2 250.277 0.817 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639132 412635465 /nfs/dbraw/zinc/63/54/65/412635465.db2.gz NSBCPFMRJPQHMU-RWMBFGLXSA-N 1 2 290.429 0.980 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639132 412635471 /nfs/dbraw/zinc/63/54/71/412635471.db2.gz NSBCPFMRJPQHMU-RWMBFGLXSA-N 1 2 290.429 0.980 20 30 CCEDLO C=C[C@H]([NH2+]CCCNC(=O)C1CCC1)C(=O)OC ZINC000619701947 366326449 /nfs/dbraw/zinc/32/64/49/366326449.db2.gz ATAFEJCFXMDPPR-NSHDSACASA-N 1 2 254.330 0.610 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)NCCCC)CC1 ZINC000619715731 366332849 /nfs/dbraw/zinc/33/28/49/366332849.db2.gz FCYVXKOLSLZUEA-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000619717064 366334695 /nfs/dbraw/zinc/33/46/95/366334695.db2.gz PQCBCNLKDHSLDV-VXGBXAGGSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000619717064 366334699 /nfs/dbraw/zinc/33/46/99/366334699.db2.gz PQCBCNLKDHSLDV-VXGBXAGGSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000619717437 366335764 /nfs/dbraw/zinc/33/57/64/366335764.db2.gz INTMVFWWSOSMBQ-LBPRGKRZSA-N 1 2 266.341 0.801 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000361399415 357047543 /nfs/dbraw/zinc/04/75/43/357047543.db2.gz FHHMOOURRVQGFP-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000361399415 357047544 /nfs/dbraw/zinc/04/75/44/357047544.db2.gz FHHMOOURRVQGFP-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000377835761 357620776 /nfs/dbraw/zinc/62/07/76/357620776.db2.gz WGQIQNVHHPNRNV-ZDUSSCGKSA-N 1 2 277.324 0.661 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000377835761 357620779 /nfs/dbraw/zinc/62/07/79/357620779.db2.gz WGQIQNVHHPNRNV-ZDUSSCGKSA-N 1 2 277.324 0.661 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000294729690 199155957 /nfs/dbraw/zinc/15/59/57/199155957.db2.gz WFVRAOBLUNALET-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000294729690 199155958 /nfs/dbraw/zinc/15/59/58/199155958.db2.gz WFVRAOBLUNALET-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO Cc1nc(NCC[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000562330732 291144850 /nfs/dbraw/zinc/14/48/50/291144850.db2.gz BPDFXXXRIFSYLH-LLVKDONJSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1nc(NCC[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000562330732 291144853 /nfs/dbraw/zinc/14/48/53/291144853.db2.gz BPDFXXXRIFSYLH-LLVKDONJSA-N 1 2 260.341 0.816 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000571916197 358926445 /nfs/dbraw/zinc/92/64/45/358926445.db2.gz VUROVKYZULBBHO-AAEUAGOBSA-N 1 2 270.398 0.885 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000571916197 358926447 /nfs/dbraw/zinc/92/64/47/358926447.db2.gz VUROVKYZULBBHO-AAEUAGOBSA-N 1 2 270.398 0.885 20 30 CCEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cnn(C)c2C#N)[nH+]1 ZINC000580955732 359113761 /nfs/dbraw/zinc/11/37/61/359113761.db2.gz OBGSSUNDNXVAJB-UHFFFAOYSA-N 1 2 272.312 0.988 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000610913736 363631084 /nfs/dbraw/zinc/63/10/84/363631084.db2.gz ZBHSDXNHAIFEOG-JVWICGRDSA-N 1 2 277.368 0.859 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccnc(C#N)c2)no1 ZINC000610991482 363643310 /nfs/dbraw/zinc/64/33/10/363643310.db2.gz HIXXFZHWQWNWDV-UHFFFAOYSA-N 1 2 285.307 0.742 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccnc(C#N)c2)no1 ZINC000610991482 363643313 /nfs/dbraw/zinc/64/33/13/363643313.db2.gz HIXXFZHWQWNWDV-UHFFFAOYSA-N 1 2 285.307 0.742 20 30 CCEDLO CN1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000589315307 359377966 /nfs/dbraw/zinc/37/79/66/359377966.db2.gz JAXAAIAFQNDHTD-SECBINFHSA-N 1 2 250.327 0.725 20 30 CCEDLO N#Cc1cscc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000590097559 359423300 /nfs/dbraw/zinc/42/33/00/359423300.db2.gz WABAXORMDYUQLV-LLVKDONJSA-N 1 2 276.365 0.349 20 30 CCEDLO C[C@@H](CNC(=O)CC1(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000590247332 359432865 /nfs/dbraw/zinc/43/28/65/359432865.db2.gz RPCOBGGIDNUQJD-LBPRGKRZSA-N 1 2 264.373 0.432 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000589840599 359404820 /nfs/dbraw/zinc/40/48/20/359404820.db2.gz HQECCUXMLJTFJD-ZDUSSCGKSA-N 1 2 286.335 0.500 20 30 CCEDLO N#CC1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000590484117 359474631 /nfs/dbraw/zinc/47/46/31/359474631.db2.gz IADIFDGEEOCPOD-UHFFFAOYSA-N 1 2 285.351 0.186 20 30 CCEDLO Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000591820831 359663162 /nfs/dbraw/zinc/66/31/62/359663162.db2.gz VQOZWXYPNMECCA-JTQLQIEISA-N 1 2 265.338 0.885 20 30 CCEDLO Cc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)c(C#N)c[nH+]1 ZINC000591821889 359663348 /nfs/dbraw/zinc/66/33/48/359663348.db2.gz YRGBAGRFLBTLKD-LLVKDONJSA-N 1 2 274.324 0.291 20 30 CCEDLO COC(=O)[C@H]([N@@H+]1CC[C@@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155067 359771681 /nfs/dbraw/zinc/77/16/81/359771681.db2.gz XFVJTNDZXUZDJO-AAEUAGOBSA-N 1 2 282.340 0.448 20 30 CCEDLO COC(=O)[C@H]([N@H+]1CC[C@@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155067 359771685 /nfs/dbraw/zinc/77/16/85/359771685.db2.gz XFVJTNDZXUZDJO-AAEUAGOBSA-N 1 2 282.340 0.448 20 30 CCEDLO CCCCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148538 359766977 /nfs/dbraw/zinc/76/69/77/359766977.db2.gz WJHAHBYYFQLSTL-CYBMUJFWSA-N 1 2 253.346 0.643 20 30 CCEDLO CCCCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148538 359766980 /nfs/dbraw/zinc/76/69/80/359766980.db2.gz WJHAHBYYFQLSTL-CYBMUJFWSA-N 1 2 253.346 0.643 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000592148112 359767445 /nfs/dbraw/zinc/76/74/45/359767445.db2.gz VWPMASBLNLUJMO-CQSZACIVSA-N 1 2 259.309 0.976 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000592148112 359767449 /nfs/dbraw/zinc/76/74/49/359767449.db2.gz VWPMASBLNLUJMO-CQSZACIVSA-N 1 2 259.309 0.976 20 30 CCEDLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149669 359769768 /nfs/dbraw/zinc/76/97/68/359769768.db2.gz TYTQKNAENDXWAB-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149669 359769769 /nfs/dbraw/zinc/76/97/69/359769769.db2.gz TYTQKNAENDXWAB-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO N#Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[nH]c1C#N ZINC000592259309 359806082 /nfs/dbraw/zinc/80/60/82/359806082.db2.gz MGXNYRWWFORCRK-VHSXEESVSA-N 1 2 284.323 0.727 20 30 CCEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174193 363670242 /nfs/dbraw/zinc/67/02/42/363670242.db2.gz AUUYZIBKOBSCPX-ZDUSSCGKSA-N 1 2 266.389 0.822 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000611175431 363672172 /nfs/dbraw/zinc/67/21/72/363672172.db2.gz YAYAUESQTMUNAS-UHFFFAOYSA-N 1 2 290.411 0.822 20 30 CCEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175658 363672635 /nfs/dbraw/zinc/67/26/35/363672635.db2.gz CYRWOXCIUKUJLT-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO C[C@H](CCO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593107773 360041308 /nfs/dbraw/zinc/04/13/08/360041308.db2.gz IQQQBAAEZKSQDR-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO C[C@H](CCO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593107773 360041311 /nfs/dbraw/zinc/04/13/11/360041311.db2.gz IQQQBAAEZKSQDR-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOCC(F)F)CC1 ZINC000594003425 360231677 /nfs/dbraw/zinc/23/16/77/360231677.db2.gz AQNLYFXXMMIOIU-UHFFFAOYSA-N 1 2 261.272 0.326 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000594009491 360234029 /nfs/dbraw/zinc/23/40/29/360234029.db2.gz WEVULCLOLQIGIL-QWHCGFSZSA-N 1 2 294.399 0.785 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595384570 360514683 /nfs/dbraw/zinc/51/46/83/360514683.db2.gz YBYIYUSOHGFBLK-ZJUUUORDSA-N 1 2 285.373 0.549 20 30 CCEDLO CO[C@]1(CO)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000595657597 360607020 /nfs/dbraw/zinc/60/70/20/360607020.db2.gz CLMMCPZNNSWFJW-GFCCVEGCSA-N 1 2 267.354 0.988 20 30 CCEDLO CO[C@]1(CO)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000595657597 360607028 /nfs/dbraw/zinc/60/70/28/360607028.db2.gz CLMMCPZNNSWFJW-GFCCVEGCSA-N 1 2 267.354 0.988 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595759150 360644498 /nfs/dbraw/zinc/64/44/98/360644498.db2.gz PRBDFJKIFQQNGY-UHFFFAOYSA-N 1 2 264.333 0.009 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595759150 360644503 /nfs/dbraw/zinc/64/45/03/360644503.db2.gz PRBDFJKIFQQNGY-UHFFFAOYSA-N 1 2 264.333 0.009 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@]2(COC)C(=O)OC)C1=O ZINC000595804842 360661031 /nfs/dbraw/zinc/66/10/31/360661031.db2.gz HVMBIFUSCOCGSH-WFASDCNBSA-N 1 2 296.367 0.427 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@]2(COC)C(=O)OC)C1=O ZINC000595804842 360661037 /nfs/dbraw/zinc/66/10/37/360661037.db2.gz HVMBIFUSCOCGSH-WFASDCNBSA-N 1 2 296.367 0.427 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835937 360674930 /nfs/dbraw/zinc/67/49/30/360674930.db2.gz VTTHXQWJTZZTGX-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835937 360674931 /nfs/dbraw/zinc/67/49/31/360674931.db2.gz VTTHXQWJTZZTGX-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596063604 360785018 /nfs/dbraw/zinc/78/50/18/360785018.db2.gz VVYAJEZGHVUUCB-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO COc1c(C#N)ccc(=O)n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596282551 360868479 /nfs/dbraw/zinc/86/84/79/360868479.db2.gz MLDLVPDLAJMTCF-BETUJISGSA-N 1 2 289.335 0.592 20 30 CCEDLO COc1c(C#N)ccc(=O)n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596282551 360868485 /nfs/dbraw/zinc/86/84/85/360868485.db2.gz MLDLVPDLAJMTCF-BETUJISGSA-N 1 2 289.335 0.592 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@@H](C)CO1 ZINC000596454257 360899035 /nfs/dbraw/zinc/89/90/35/360899035.db2.gz RKEOQWARJDNMIG-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@@H](C)CO1 ZINC000596454257 360899036 /nfs/dbraw/zinc/89/90/36/360899036.db2.gz RKEOQWARJDNMIG-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO Cc1cc(NC[C@@]2(OCCO)CCOC2)c(C#N)c[nH+]1 ZINC000596432796 360892497 /nfs/dbraw/zinc/89/24/97/360892497.db2.gz SPADAAWGTBDNMV-AWEZNQCLSA-N 1 2 277.324 0.264 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000596651681 360936372 /nfs/dbraw/zinc/93/63/72/360936372.db2.gz GBUZUCIETXYBRL-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000597132157 361011622 /nfs/dbraw/zinc/01/16/22/361011622.db2.gz GYUGQDWVVBEBJC-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000597132157 361011625 /nfs/dbraw/zinc/01/16/25/361011625.db2.gz GYUGQDWVVBEBJC-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000597160695 361018733 /nfs/dbraw/zinc/01/87/33/361018733.db2.gz DSWXKAQPYPFAKI-WOPDTQHZSA-N 1 2 253.346 0.762 20 30 CCEDLO CCC(CC)[C@H](C(=O)N[C@H](C#N)CO)[NH+]1CCOCC1 ZINC000597739891 361221401 /nfs/dbraw/zinc/22/14/01/361221401.db2.gz CLRWDFMKJYFXBY-CHWSQXEVSA-N 1 2 283.372 0.124 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000621280449 366702179 /nfs/dbraw/zinc/70/21/79/366702179.db2.gz XBXMBCNDLFSMQP-QWHCGFSZSA-N 1 2 280.368 0.967 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000621280449 366702187 /nfs/dbraw/zinc/70/21/87/366702187.db2.gz XBXMBCNDLFSMQP-QWHCGFSZSA-N 1 2 280.368 0.967 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)C#N)[C@@H](C)CO1 ZINC000597999939 361306071 /nfs/dbraw/zinc/30/60/71/361306071.db2.gz TUOQKHDVOZJQTF-QWRGUYRKSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C#N)[C@@H](C)CO1 ZINC000597999939 361306072 /nfs/dbraw/zinc/30/60/72/361306072.db2.gz TUOQKHDVOZJQTF-QWRGUYRKSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000598001210 361307570 /nfs/dbraw/zinc/30/75/70/361307570.db2.gz XOLQSIWAENFHFQ-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000598001210 361307573 /nfs/dbraw/zinc/30/75/73/361307573.db2.gz XOLQSIWAENFHFQ-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000598150413 361344147 /nfs/dbraw/zinc/34/41/47/361344147.db2.gz CHRDIPVSEYDHMH-ZDUSSCGKSA-N 1 2 288.351 0.742 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622065 361462598 /nfs/dbraw/zinc/46/25/98/361462598.db2.gz YBTFGLSVEKNAAA-WDEREUQCSA-N 1 2 253.346 0.450 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC(=O)N1C ZINC000598622065 361462601 /nfs/dbraw/zinc/46/26/01/361462601.db2.gz YBTFGLSVEKNAAA-WDEREUQCSA-N 1 2 253.346 0.450 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC000598949057 361538290 /nfs/dbraw/zinc/53/82/90/361538290.db2.gz SRYDATKKSFUGIE-LBPRGKRZSA-N 1 2 296.334 0.115 20 30 CCEDLO C[C@@]1(C#N)CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000612162086 363858893 /nfs/dbraw/zinc/85/88/93/363858893.db2.gz KBSYGDCAOIBOTF-KBPBESRZSA-N 1 2 267.373 0.305 20 30 CCEDLO C=CCOCC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464997 364618343 /nfs/dbraw/zinc/61/83/43/364618343.db2.gz FBJVQLOTXFLASP-UHFFFAOYSA-N 1 2 294.355 0.874 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000566246050 291383141 /nfs/dbraw/zinc/38/31/41/291383141.db2.gz CZDLPYIMFXLIRK-ZDUSSCGKSA-N 1 2 298.350 0.654 20 30 CCEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000566246050 291383143 /nfs/dbraw/zinc/38/31/43/291383143.db2.gz CZDLPYIMFXLIRK-ZDUSSCGKSA-N 1 2 298.350 0.654 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626170164 368472694 /nfs/dbraw/zinc/47/26/94/368472694.db2.gz ACTVCJYPJULLGW-OAHLLOKOSA-N 1 2 282.384 0.924 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626170164 368472696 /nfs/dbraw/zinc/47/26/96/368472696.db2.gz ACTVCJYPJULLGW-OAHLLOKOSA-N 1 2 282.384 0.924 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627977187 369153367 /nfs/dbraw/zinc/15/33/67/369153367.db2.gz JLLNTWPRFOQPTH-OLZOCXBDSA-N 1 2 275.352 0.644 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916495 369456359 /nfs/dbraw/zinc/45/63/59/369456359.db2.gz IDXHIMLSQZPJGM-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916495 369456363 /nfs/dbraw/zinc/45/63/63/369456363.db2.gz IDXHIMLSQZPJGM-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000276918370 193500028 /nfs/dbraw/zinc/50/00/28/193500028.db2.gz GVDYMNZEPMFUQF-UHFFFAOYSA-N 1 2 285.391 0.920 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385585 371024764 /nfs/dbraw/zinc/02/47/64/371024764.db2.gz MBMHLIXKGWGWHE-ZDUSSCGKSA-N 1 2 288.413 0.689 20 30 CCEDLO C=C[C@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633107387 371399906 /nfs/dbraw/zinc/39/99/06/371399906.db2.gz PYSRRZJAENFYHW-ZDUSSCGKSA-N 1 2 289.383 0.921 20 30 CCEDLO C=CCN(CC=C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637447128 374172741 /nfs/dbraw/zinc/17/27/41/374172741.db2.gz VQZLPNVEUMSIFX-LBPRGKRZSA-N 1 2 253.346 0.701 20 30 CCEDLO C=CCN(CC=C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637447128 374172750 /nfs/dbraw/zinc/17/27/50/374172750.db2.gz VQZLPNVEUMSIFX-LBPRGKRZSA-N 1 2 253.346 0.701 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637880231 374444827 /nfs/dbraw/zinc/44/48/27/374444827.db2.gz FUKNFDKIAOSIIY-UHFFFAOYSA-N 1 2 290.367 0.207 20 30 CCEDLO CC#CC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640162342 376261613 /nfs/dbraw/zinc/26/16/13/376261613.db2.gz LBIJGYBMHJERBK-UHFFFAOYSA-N 1 2 264.350 0.715 20 30 CCEDLO CC#CC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640162342 376261615 /nfs/dbraw/zinc/26/16/15/376261615.db2.gz LBIJGYBMHJERBK-UHFFFAOYSA-N 1 2 264.350 0.715 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC2CCCC2)nn1 ZINC000640763633 376524016 /nfs/dbraw/zinc/52/40/16/376524016.db2.gz KYQYJPQAZXKEEE-UHFFFAOYSA-N 1 2 275.356 0.450 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000641108068 376787688 /nfs/dbraw/zinc/78/76/88/376787688.db2.gz HXQLXPKLQNHOKY-CQSZACIVSA-N 1 2 287.367 0.717 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnnn2C2CC2)nn1 ZINC000641163685 376830537 /nfs/dbraw/zinc/83/05/37/376830537.db2.gz ACXBVAGDMKFFCA-SNVBAGLBSA-N 1 2 286.343 0.322 20 30 CCEDLO C#CCSCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278504663 194016228 /nfs/dbraw/zinc/01/62/28/194016228.db2.gz XSGPEINNVMBIRQ-UHFFFAOYSA-N 1 2 262.342 0.724 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(Br)c1 ZINC000278541849 194034746 /nfs/dbraw/zinc/03/47/46/194034746.db2.gz AIAXFLALFKUCII-TXEJJXNPSA-N 1 2 297.152 0.858 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(Br)c1 ZINC000278541849 194034749 /nfs/dbraw/zinc/03/47/49/194034749.db2.gz AIAXFLALFKUCII-TXEJJXNPSA-N 1 2 297.152 0.858 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cnc(C#N)cn1 ZINC000278613260 194069278 /nfs/dbraw/zinc/06/92/78/194069278.db2.gz GBHZDWJVMORSQV-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000569988803 291726302 /nfs/dbraw/zinc/72/63/02/291726302.db2.gz WHXRYCCFYLHGIG-UHFFFAOYSA-N 1 2 297.366 0.591 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nn1 ZINC000657384118 412976882 /nfs/dbraw/zinc/97/68/82/412976882.db2.gz XPAHVUMCUNUSKK-OUCADQQQSA-N 1 2 289.383 0.953 20 30 CCEDLO C=CCCn1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)nn1 ZINC000657416690 412984273 /nfs/dbraw/zinc/98/42/73/412984273.db2.gz PNUQLNQAXNPVCY-JTQLQIEISA-N 1 2 272.374 0.377 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495761 388754701 /nfs/dbraw/zinc/75/47/01/388754701.db2.gz QHIFPQIYIAYAHD-VOAKCMCISA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495761 388754706 /nfs/dbraw/zinc/75/47/06/388754706.db2.gz QHIFPQIYIAYAHD-VOAKCMCISA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284938429 388785980 /nfs/dbraw/zinc/78/59/80/388785980.db2.gz FVCLZZCETZZKDA-UHFFFAOYSA-N 1 2 286.335 0.903 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000287029383 388847278 /nfs/dbraw/zinc/84/72/78/388847278.db2.gz SIMGGBKVYIPMOV-CQSZACIVSA-N 1 2 270.348 0.983 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287029383 388847282 /nfs/dbraw/zinc/84/72/82/388847282.db2.gz SIMGGBKVYIPMOV-CQSZACIVSA-N 1 2 270.348 0.983 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1O ZINC000188258056 388921062 /nfs/dbraw/zinc/92/10/62/388921062.db2.gz JDARGLCELNJFAU-UHFFFAOYSA-N 1 2 275.308 0.014 20 30 CCEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCS(=O)CC2)c1 ZINC000049691696 388922233 /nfs/dbraw/zinc/92/22/33/388922233.db2.gz JRFJQLBKRXEADN-UHFFFAOYSA-N 1 2 291.376 0.951 20 30 CCEDLO N#CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000053430873 388929145 /nfs/dbraw/zinc/92/91/45/388929145.db2.gz ZTDNSSVYYAHBSP-UHFFFAOYSA-N 1 2 250.346 0.140 20 30 CCEDLO C#CC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000053424065 388929163 /nfs/dbraw/zinc/92/91/63/388929163.db2.gz YTCNTHSFAHYEEL-UHFFFAOYSA-N 1 2 297.380 0.621 20 30 CCEDLO C#CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000053424065 388929167 /nfs/dbraw/zinc/92/91/67/388929167.db2.gz YTCNTHSFAHYEEL-UHFFFAOYSA-N 1 2 297.380 0.621 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000292914925 388968568 /nfs/dbraw/zinc/96/85/68/388968568.db2.gz XGIUBFPFFGVQSY-UHFFFAOYSA-N 1 2 286.375 0.737 20 30 CCEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#N)CC2)C1 ZINC000066566774 388945250 /nfs/dbraw/zinc/94/52/50/388945250.db2.gz QZPHMRSGPHYWSP-UONOGXRCSA-N 1 2 278.400 0.822 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000293866357 388988778 /nfs/dbraw/zinc/98/87/78/388988778.db2.gz SHQMYMMJUSDBIR-OAHLLOKOSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000293866357 388988779 /nfs/dbraw/zinc/98/87/79/388988779.db2.gz SHQMYMMJUSDBIR-OAHLLOKOSA-N 1 2 285.347 0.299 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000192226537 389028919 /nfs/dbraw/zinc/02/89/19/389028919.db2.gz UUEVDUDDVBBCGV-UHFFFAOYSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000192226537 389028923 /nfs/dbraw/zinc/02/89/23/389028923.db2.gz UUEVDUDDVBBCGV-UHFFFAOYSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(OCCOC)c1 ZINC000192233599 389029042 /nfs/dbraw/zinc/02/90/42/389029042.db2.gz GIVNEMSDPQWSRI-UHFFFAOYSA-N 1 2 290.363 0.893 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(OCCOC)c1 ZINC000192233599 389029046 /nfs/dbraw/zinc/02/90/46/389029046.db2.gz GIVNEMSDPQWSRI-UHFFFAOYSA-N 1 2 290.363 0.893 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000192233848 389029338 /nfs/dbraw/zinc/02/93/38/389029338.db2.gz ATWIKCCECKPOSF-SNVBAGLBSA-N 1 2 259.309 0.678 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000192233848 389029344 /nfs/dbraw/zinc/02/93/44/389029344.db2.gz ATWIKCCECKPOSF-SNVBAGLBSA-N 1 2 259.309 0.678 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552282 389020599 /nfs/dbraw/zinc/02/05/99/389020599.db2.gz HGVLPISPZCKFSI-JTQLQIEISA-N 1 2 264.285 0.990 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552282 389020606 /nfs/dbraw/zinc/02/06/06/389020606.db2.gz HGVLPISPZCKFSI-JTQLQIEISA-N 1 2 264.285 0.990 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)n2)C1=O ZINC000337193736 389051606 /nfs/dbraw/zinc/05/16/06/389051606.db2.gz VSQXNYFVLDXXQU-CYBMUJFWSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnc(N(C)C)n2)C1=O ZINC000337193736 389051611 /nfs/dbraw/zinc/05/16/11/389051611.db2.gz VSQXNYFVLDXXQU-CYBMUJFWSA-N 1 2 289.383 0.761 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219589 389056183 /nfs/dbraw/zinc/05/61/83/389056183.db2.gz JYDRLJGEZKUPBF-CHWSQXEVSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219589 389056186 /nfs/dbraw/zinc/05/61/86/389056186.db2.gz JYDRLJGEZKUPBF-CHWSQXEVSA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCn1c(C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337816337 389070139 /nfs/dbraw/zinc/07/01/39/389070139.db2.gz OORPNRRGNLWKET-CYBMUJFWSA-N 1 2 277.372 0.683 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000193972535 389084832 /nfs/dbraw/zinc/08/48/32/389084832.db2.gz GHKNSGALKDIPTO-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000193972535 389084835 /nfs/dbraw/zinc/08/48/35/389084835.db2.gz GHKNSGALKDIPTO-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000106302801 389090778 /nfs/dbraw/zinc/09/07/78/389090778.db2.gz BHHYKLCPXKIKEA-ZDUSSCGKSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000106302801 389090780 /nfs/dbraw/zinc/09/07/80/389090780.db2.gz BHHYKLCPXKIKEA-ZDUSSCGKSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000299313015 389041480 /nfs/dbraw/zinc/04/14/80/389041480.db2.gz OXSPEKIKFAVPMI-SECBINFHSA-N 1 2 289.257 0.331 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328914021 389145038 /nfs/dbraw/zinc/14/50/38/389145038.db2.gz PWUODSOTYXBLSI-APPZFPTMSA-N 1 2 266.301 0.570 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328914021 389145040 /nfs/dbraw/zinc/14/50/40/389145040.db2.gz PWUODSOTYXBLSI-APPZFPTMSA-N 1 2 266.301 0.570 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000194864741 389107447 /nfs/dbraw/zinc/10/74/47/389107447.db2.gz PDPFRMNJLMQSSP-GFCCVEGCSA-N 1 2 283.372 0.841 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000194864741 389107449 /nfs/dbraw/zinc/10/74/49/389107449.db2.gz PDPFRMNJLMQSSP-GFCCVEGCSA-N 1 2 283.372 0.841 20 30 CCEDLO C=CCCC1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000356308490 389122745 /nfs/dbraw/zinc/12/27/45/389122745.db2.gz FEPNTJNJJOUTTR-CQSZACIVSA-N 1 2 296.411 0.884 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000339048040 389123131 /nfs/dbraw/zinc/12/31/31/389123131.db2.gz TWKRQRXXNKAHPM-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000339048040 389123134 /nfs/dbraw/zinc/12/31/34/389123134.db2.gz TWKRQRXXNKAHPM-NEPJUHHUSA-N 1 2 285.340 0.616 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000112913592 389128813 /nfs/dbraw/zinc/12/88/13/389128813.db2.gz QKYNVSDWDVTGLC-UHFFFAOYSA-N 1 2 281.356 0.097 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858527 389131686 /nfs/dbraw/zinc/13/16/86/389131686.db2.gz YRGVGOYTINWFPR-TZMCWYRMSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858527 389131688 /nfs/dbraw/zinc/13/16/88/389131688.db2.gz YRGVGOYTINWFPR-TZMCWYRMSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)nc1 ZINC000115334068 389132203 /nfs/dbraw/zinc/13/22/03/389132203.db2.gz NUNIAZDPEZZVNV-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO O=C(CCn1cc[nH+]c1)NCCN1CCCS1(=O)=O ZINC000328739712 389135123 /nfs/dbraw/zinc/13/51/23/389135123.db2.gz MSINZWIGDCIGQC-UHFFFAOYSA-N 1 2 286.357 0.265 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339529942 389135130 /nfs/dbraw/zinc/13/51/30/389135130.db2.gz UYJMZEWGDLERIR-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339617237 389136002 /nfs/dbraw/zinc/13/60/02/389136002.db2.gz QYVSCHFZPWOSMD-RWMBFGLXSA-N 1 2 266.389 0.771 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000357834724 389139349 /nfs/dbraw/zinc/13/93/49/389139349.db2.gz RZUMWNONDGRTKU-LBPRGKRZSA-N 1 2 264.329 0.221 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCC3(O)CCC3)C[C@H]21 ZINC000328870713 389142371 /nfs/dbraw/zinc/14/23/71/389142371.db2.gz ICKIYEAUWGCWEL-VXGBXAGGSA-N 1 2 283.372 0.220 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCC3(O)CCC3)C[C@H]21 ZINC000328870713 389142374 /nfs/dbraw/zinc/14/23/74/389142374.db2.gz ICKIYEAUWGCWEL-VXGBXAGGSA-N 1 2 283.372 0.220 20 30 CCEDLO C[C@@H](C(=O)NCCN1C(=O)CCCC1=O)[NH+]1CCOCC1 ZINC000329637138 389180642 /nfs/dbraw/zinc/18/06/42/389180642.db2.gz AEILLPSCBBTJIU-NSHDSACASA-N 1 2 297.355 0.203 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@@H]2CCOC2)C1 ZINC000329653791 389182978 /nfs/dbraw/zinc/18/29/78/389182978.db2.gz LNNJEPOWROKYGC-VXGBXAGGSA-N 1 2 271.361 0.247 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC[C@@H]2CCOC2)C1 ZINC000329653791 389182979 /nfs/dbraw/zinc/18/29/79/389182979.db2.gz LNNJEPOWROKYGC-VXGBXAGGSA-N 1 2 271.361 0.247 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329651835 389183047 /nfs/dbraw/zinc/18/30/47/389183047.db2.gz KMXYMBOYHRZUGS-UONOGXRCSA-N 1 2 290.367 0.819 20 30 CCEDLO Cc1cnccc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329651835 389183048 /nfs/dbraw/zinc/18/30/48/389183048.db2.gz KMXYMBOYHRZUGS-UONOGXRCSA-N 1 2 290.367 0.819 20 30 CCEDLO O=C(NCC1=CCCOC1)N1CCn2cc[nH+]c2C1 ZINC000329710242 389191627 /nfs/dbraw/zinc/19/16/27/389191627.db2.gz NOEHRODKQSROFL-UHFFFAOYSA-N 1 2 262.313 0.959 20 30 CCEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340290750 389155376 /nfs/dbraw/zinc/15/53/76/389155376.db2.gz OFEHOKKAUQZPOA-CABCVRRESA-N 1 2 291.326 0.579 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329311481 389155953 /nfs/dbraw/zinc/15/59/53/389155953.db2.gz CPMBJUQTCOKNSQ-SRVKXCTJSA-N 1 2 264.329 0.500 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329311481 389155955 /nfs/dbraw/zinc/15/59/55/389155955.db2.gz CPMBJUQTCOKNSQ-SRVKXCTJSA-N 1 2 264.329 0.500 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000124646653 389161237 /nfs/dbraw/zinc/16/12/37/389161237.db2.gz POJYCIHGXIFAGM-GFCCVEGCSA-N 1 2 277.372 0.860 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ncn1 ZINC000329425562 389163384 /nfs/dbraw/zinc/16/33/84/389163384.db2.gz FVWMCCYCOGZPAP-ZJUUUORDSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ncn1 ZINC000329425562 389163385 /nfs/dbraw/zinc/16/33/85/389163385.db2.gz FVWMCCYCOGZPAP-ZJUUUORDSA-N 1 2 293.327 0.046 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000359033643 389165596 /nfs/dbraw/zinc/16/55/96/389165596.db2.gz WMGGFFISLNVWFW-UHFFFAOYSA-N 1 2 295.774 0.554 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc1 ZINC000329569249 389171813 /nfs/dbraw/zinc/17/18/13/389171813.db2.gz PSLNABALIIURPN-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc1 ZINC000329569249 389171817 /nfs/dbraw/zinc/17/18/17/389171817.db2.gz PSLNABALIIURPN-NEPJUHHUSA-N 1 2 276.340 0.950 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000128378191 389177549 /nfs/dbraw/zinc/17/75/49/389177549.db2.gz YJWLPMODKIMZAO-UHFFFAOYSA-N 1 2 283.331 0.714 20 30 CCEDLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000330596871 389244943 /nfs/dbraw/zinc/24/49/43/389244943.db2.gz YQAIGWOYHGPBED-NXEZZACHSA-N 1 2 279.344 0.338 20 30 CCEDLO COCC[N@H+](CCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000134893064 389249514 /nfs/dbraw/zinc/24/95/14/389249514.db2.gz XAHATPZIUGZQJZ-UHFFFAOYSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000134893064 389249517 /nfs/dbraw/zinc/24/95/17/389249517.db2.gz XAHATPZIUGZQJZ-UHFFFAOYSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135011860 389251662 /nfs/dbraw/zinc/25/16/62/389251662.db2.gz HAHPXYCFAHUQTN-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO CC[N@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CC1 ZINC000135559741 389259286 /nfs/dbraw/zinc/25/92/86/389259286.db2.gz NHPCZYJKCMGJMQ-UHFFFAOYSA-N 1 2 258.285 0.576 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CC1 ZINC000135559741 389259289 /nfs/dbraw/zinc/25/92/89/389259289.db2.gz NHPCZYJKCMGJMQ-UHFFFAOYSA-N 1 2 258.285 0.576 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135584559 389260154 /nfs/dbraw/zinc/26/01/54/389260154.db2.gz YNYGJMCCPICADG-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135584559 389260155 /nfs/dbraw/zinc/26/01/55/389260155.db2.gz YNYGJMCCPICADG-LBPRGKRZSA-N 1 2 266.341 0.006 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342288323 389207405 /nfs/dbraw/zinc/20/74/05/389207405.db2.gz OWELLDDDFCFRKJ-OLZOCXBDSA-N 1 2 268.357 0.511 20 30 CCEDLO [O-]C(=[NH+]CCn1cncn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329891943 389208437 /nfs/dbraw/zinc/20/84/37/389208437.db2.gz IOQLIKNLIUTKOK-UHFFFAOYSA-N 1 2 289.343 0.795 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000361112305 389208749 /nfs/dbraw/zinc/20/87/49/389208749.db2.gz XZZHUTFBLURNST-TUAOUCFPSA-N 1 2 257.330 0.888 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)C(=O)OC ZINC000361106894 389208787 /nfs/dbraw/zinc/20/87/87/389208787.db2.gz GQXGYHNORCRBAP-JXQTWKCFSA-N 1 2 298.383 0.768 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000342402349 389217475 /nfs/dbraw/zinc/21/74/75/389217475.db2.gz QIUOYCWGERKHFF-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO N#CCCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361565326 389220041 /nfs/dbraw/zinc/22/00/41/389220041.db2.gz NVOXPBOLTOOEEY-UHFFFAOYSA-N 1 2 289.401 0.322 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000154257602 389311157 /nfs/dbraw/zinc/31/11/57/389311157.db2.gz FHMWPPTUDRZIRP-GFCCVEGCSA-N 1 2 280.299 0.769 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(C)CCC#N ZINC000345894391 389317535 /nfs/dbraw/zinc/31/75/35/389317535.db2.gz XGQCPJVIFUIWGV-UHFFFAOYSA-N 1 2 296.415 0.889 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)CCC#N ZINC000345894391 389317538 /nfs/dbraw/zinc/31/75/38/389317538.db2.gz XGQCPJVIFUIWGV-UHFFFAOYSA-N 1 2 296.415 0.889 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000346337053 389326890 /nfs/dbraw/zinc/32/68/90/389326890.db2.gz MSBCMSPQAWQAPY-IHRRRGAJSA-N 1 2 279.384 0.084 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000343808401 389273125 /nfs/dbraw/zinc/27/31/25/389273125.db2.gz ABPKIWWRFIRUJO-ZDUSSCGKSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)nn1 ZINC000657640521 413041049 /nfs/dbraw/zinc/04/10/49/413041049.db2.gz XVBHHKQXWTXHQR-NWDGAFQWSA-N 1 2 298.412 0.910 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000408384121 389345162 /nfs/dbraw/zinc/34/51/62/389345162.db2.gz YIFYHHARAGLZAP-SDDRHHMPSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000408384121 389345166 /nfs/dbraw/zinc/34/51/66/389345166.db2.gz YIFYHHARAGLZAP-SDDRHHMPSA-N 1 2 252.314 0.943 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000264709115 389347507 /nfs/dbraw/zinc/34/75/07/389347507.db2.gz GDEGFJSUYWVHPX-UHFFFAOYSA-N 1 2 299.378 0.225 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000171287383 389474738 /nfs/dbraw/zinc/47/47/38/389474738.db2.gz VYHOCHZMMKVNFM-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000171287383 389474741 /nfs/dbraw/zinc/47/47/41/389474741.db2.gz VYHOCHZMMKVNFM-AWEZNQCLSA-N 1 2 273.336 0.813 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000349805128 389438512 /nfs/dbraw/zinc/43/85/12/389438512.db2.gz WKXQFGLSPGSNCU-UHFFFAOYSA-N 1 2 290.348 0.911 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371833702 389439814 /nfs/dbraw/zinc/43/98/14/389439814.db2.gz COVHCPYMIIEZFA-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371833702 389439817 /nfs/dbraw/zinc/43/98/17/389439817.db2.gz COVHCPYMIIEZFA-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372126749 389444089 /nfs/dbraw/zinc/44/40/89/389444089.db2.gz QBKFBIQAOFMJMR-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372126749 389444093 /nfs/dbraw/zinc/44/40/93/389444093.db2.gz QBKFBIQAOFMJMR-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO N#CC1(CC[N@H+]2CCN(CC(N)=O)C(=O)C2)CCCCC1 ZINC000411829142 389452140 /nfs/dbraw/zinc/45/21/40/389452140.db2.gz WVKVTPTXBLZBQG-UHFFFAOYSA-N 1 2 292.383 0.480 20 30 CCEDLO N#CC1(CC[N@@H+]2CCN(CC(N)=O)C(=O)C2)CCCCC1 ZINC000411829142 389452141 /nfs/dbraw/zinc/45/21/41/389452141.db2.gz WVKVTPTXBLZBQG-UHFFFAOYSA-N 1 2 292.383 0.480 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000351187951 389568549 /nfs/dbraw/zinc/56/85/49/389568549.db2.gz WIEYFXLMHUXIEB-CQSZACIVSA-N 1 2 260.337 0.940 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334977462 389514180 /nfs/dbraw/zinc/51/41/80/389514180.db2.gz JNAFYGGNEVAIME-JTQLQIEISA-N 1 2 269.308 0.907 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334977462 389514182 /nfs/dbraw/zinc/51/41/82/389514182.db2.gz JNAFYGGNEVAIME-JTQLQIEISA-N 1 2 269.308 0.907 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276719590 389533459 /nfs/dbraw/zinc/53/34/59/389533459.db2.gz FDWNGWQWHSANGV-CYBMUJFWSA-N 1 2 265.288 0.984 20 30 CCEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276719590 389533462 /nfs/dbraw/zinc/53/34/62/389533462.db2.gz FDWNGWQWHSANGV-CYBMUJFWSA-N 1 2 265.288 0.984 20 30 CCEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(=O)n(C)c(=O)n1C ZINC000173541424 389503459 /nfs/dbraw/zinc/50/34/59/389503459.db2.gz YLRDWLNROXTKNO-UHFFFAOYSA-N 1 2 292.383 0.846 20 30 CCEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(=O)n(C)c(=O)n1C ZINC000173541424 389503467 /nfs/dbraw/zinc/50/34/67/389503467.db2.gz YLRDWLNROXTKNO-UHFFFAOYSA-N 1 2 292.383 0.846 20 30 CCEDLO C=CCN1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1=O ZINC000281340475 389614541 /nfs/dbraw/zinc/61/45/41/389614541.db2.gz WJYWPMSMGBOMPC-LLVKDONJSA-N 1 2 275.356 0.491 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1=O ZINC000281507723 389617142 /nfs/dbraw/zinc/61/71/42/389617142.db2.gz WIHBSCZXIRWTMV-GFCCVEGCSA-N 1 2 276.340 0.519 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)CC)C1=O ZINC000281527719 389618484 /nfs/dbraw/zinc/61/84/84/389618484.db2.gz ZUFUIAOXUNVFKV-QWHCGFSZSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CC)CC)C1=O ZINC000281527719 389618487 /nfs/dbraw/zinc/61/84/87/389618487.db2.gz ZUFUIAOXUNVFKV-QWHCGFSZSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280134361 389598250 /nfs/dbraw/zinc/59/82/50/389598250.db2.gz QSPAXIZUFDQNKB-QWHCGFSZSA-N 1 2 291.399 0.399 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280134361 389598256 /nfs/dbraw/zinc/59/82/56/389598256.db2.gz QSPAXIZUFDQNKB-QWHCGFSZSA-N 1 2 291.399 0.399 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000182487298 389710015 /nfs/dbraw/zinc/71/00/15/389710015.db2.gz QNLHVUKDELNXNF-HNNXBMFYSA-N 1 2 288.347 0.645 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000182487298 389710021 /nfs/dbraw/zinc/71/00/21/389710021.db2.gz QNLHVUKDELNXNF-HNNXBMFYSA-N 1 2 288.347 0.645 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000282055329 389652009 /nfs/dbraw/zinc/65/20/09/389652009.db2.gz RVSXZJQFSXUXHW-KOLCDFICSA-N 1 2 278.274 0.772 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000282055329 389652013 /nfs/dbraw/zinc/65/20/13/389652013.db2.gz RVSXZJQFSXUXHW-KOLCDFICSA-N 1 2 278.274 0.772 20 30 CCEDLO CC#CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179356656 389653465 /nfs/dbraw/zinc/65/34/65/389653465.db2.gz YCOUEPNZYVUEBX-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179356656 389653466 /nfs/dbraw/zinc/65/34/66/389653466.db2.gz YCOUEPNZYVUEBX-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336629262 389661944 /nfs/dbraw/zinc/66/19/44/389661944.db2.gz MFQUPFJMRFRSNW-STQMWFEESA-N 1 2 265.357 0.514 20 30 CCEDLO CC(C)[C@H]([NH2+]CC(=O)NCC#N)c1nc(C2CC2)no1 ZINC000179812693 389663333 /nfs/dbraw/zinc/66/33/33/389663333.db2.gz FPWWWDBKQJWHHJ-NSHDSACASA-N 1 2 277.328 0.873 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181308106 389684226 /nfs/dbraw/zinc/68/42/26/389684226.db2.gz WVVKAUBXPDRUGR-SFYZADRCSA-N 1 2 297.277 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181308106 389684227 /nfs/dbraw/zinc/68/42/27/389684227.db2.gz WVVKAUBXPDRUGR-SFYZADRCSA-N 1 2 297.277 0.242 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000375666590 389697581 /nfs/dbraw/zinc/69/75/81/389697581.db2.gz WSEQEQBSAKMVSZ-CHWSQXEVSA-N 1 2 298.412 0.786 20 30 CCEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000375666590 389697584 /nfs/dbraw/zinc/69/75/84/389697584.db2.gz WSEQEQBSAKMVSZ-CHWSQXEVSA-N 1 2 298.412 0.786 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000428503454 389702593 /nfs/dbraw/zinc/70/25/93/389702593.db2.gz OCEPHTGHJNCJFP-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376102425 389729328 /nfs/dbraw/zinc/72/93/28/389729328.db2.gz IASVNWHOOJCXGV-GXTWGEPZSA-N 1 2 265.357 0.859 20 30 CCEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC000416419657 389740846 /nfs/dbraw/zinc/74/08/46/389740846.db2.gz UCANHHYVNXLOTI-GFCCVEGCSA-N 1 2 289.401 0.271 20 30 CCEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC000416516864 389750744 /nfs/dbraw/zinc/75/07/44/389750744.db2.gz APCABUXIYRNLIN-GFCCVEGCSA-N 1 2 294.380 0.754 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000352414374 389806670 /nfs/dbraw/zinc/80/66/70/389806670.db2.gz UFFVMNZOPOHDKI-NXEZZACHSA-N 1 2 271.342 0.714 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352467922 389815745 /nfs/dbraw/zinc/81/57/45/389815745.db2.gz OLTSDHMPYYIBIZ-NSHDSACASA-N 1 2 251.334 0.404 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352484188 389817785 /nfs/dbraw/zinc/81/77/85/389817785.db2.gz MNANJIYNTFNHNF-UHFFFAOYSA-N 1 2 296.346 0.005 20 30 CCEDLO CCCCNC(=O)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352485017 389817906 /nfs/dbraw/zinc/81/79/06/389817906.db2.gz WNRHICQDUXMRNT-UHFFFAOYSA-N 1 2 284.335 0.940 20 30 CCEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc(=O)n(C)[nH]1 ZINC000352795815 389836558 /nfs/dbraw/zinc/83/65/58/389836558.db2.gz FVENRNYCZCMMQX-UHFFFAOYSA-N 1 2 292.339 0.772 20 30 CCEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc(=O)n(C)[nH]1 ZINC000352795815 389836562 /nfs/dbraw/zinc/83/65/62/389836562.db2.gz FVENRNYCZCMMQX-UHFFFAOYSA-N 1 2 292.339 0.772 20 30 CCEDLO C[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC(C)(C)C#N ZINC000433314529 389908205 /nfs/dbraw/zinc/90/82/05/389908205.db2.gz ZZHDYKNKEKKHOP-LLVKDONJSA-N 1 2 280.372 0.192 20 30 CCEDLO C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC(C)(C)C#N ZINC000433314529 389908206 /nfs/dbraw/zinc/90/82/06/389908206.db2.gz ZZHDYKNKEKKHOP-LLVKDONJSA-N 1 2 280.372 0.192 20 30 CCEDLO Cc1cc(OC[C@@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000434638256 389939444 /nfs/dbraw/zinc/93/94/44/389939444.db2.gz SRDYJZPJRRSLEY-AWEZNQCLSA-N 1 2 276.336 0.939 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000440951219 390047334 /nfs/dbraw/zinc/04/73/34/390047334.db2.gz MZMFVFLQMSTUJY-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000440951219 390047335 /nfs/dbraw/zinc/04/73/35/390047335.db2.gz MZMFVFLQMSTUJY-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943524 390039155 /nfs/dbraw/zinc/03/91/55/390039155.db2.gz RDQIJBRCZJOJLQ-OLZOCXBDSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943524 390039157 /nfs/dbraw/zinc/03/91/57/390039157.db2.gz RDQIJBRCZJOJLQ-OLZOCXBDSA-N 1 2 297.399 0.466 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000438711811 390010242 /nfs/dbraw/zinc/01/02/42/390010242.db2.gz GUSKMMXFGBFZFA-STQMWFEESA-N 1 2 298.412 0.691 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000438711811 390010244 /nfs/dbraw/zinc/01/02/44/390010244.db2.gz GUSKMMXFGBFZFA-STQMWFEESA-N 1 2 298.412 0.691 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2c[nH+]cn2C)c1 ZINC000439542645 390023860 /nfs/dbraw/zinc/02/38/60/390023860.db2.gz PIGHSIWSJOEWGA-UHFFFAOYSA-N 1 2 272.264 0.288 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C#N)s1 ZINC000457136159 390032319 /nfs/dbraw/zinc/03/23/19/390032319.db2.gz UZHLKJAOJMVJTE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C#N)s1 ZINC000457136159 390032321 /nfs/dbraw/zinc/03/23/21/390032321.db2.gz UZHLKJAOJMVJTE-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478940217 390081144 /nfs/dbraw/zinc/08/11/44/390081144.db2.gz YKLKLGJKIIOVBK-STQMWFEESA-N 1 2 281.356 0.096 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1F ZINC000489690498 390101798 /nfs/dbraw/zinc/10/17/98/390101798.db2.gz LNBIVIUFZNFJCR-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO C#CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000490916080 390108604 /nfs/dbraw/zinc/10/86/04/390108604.db2.gz RIVUWECLMASDEQ-UHFFFAOYSA-N 1 2 259.309 0.277 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000579001110 390133487 /nfs/dbraw/zinc/13/34/87/390133487.db2.gz PIWFGXKJWJOPJE-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000592522292 390363502 /nfs/dbraw/zinc/36/35/02/390363502.db2.gz KTFPMLIVNYPJCE-ZDUSSCGKSA-N 1 2 257.297 0.580 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000592522292 390363504 /nfs/dbraw/zinc/36/35/04/390363504.db2.gz KTFPMLIVNYPJCE-ZDUSSCGKSA-N 1 2 257.297 0.580 20 30 CCEDLO CN(C)c1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592522941 390364020 /nfs/dbraw/zinc/36/40/20/390364020.db2.gz UFQIRKVIENISAX-CYBMUJFWSA-N 1 2 261.329 0.393 20 30 CCEDLO CN(C)c1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592522941 390364024 /nfs/dbraw/zinc/36/40/24/390364024.db2.gz UFQIRKVIENISAX-CYBMUJFWSA-N 1 2 261.329 0.393 20 30 CCEDLO N#Cc1csc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC000496793318 390364756 /nfs/dbraw/zinc/36/47/56/390364756.db2.gz LMKUOUNMDPSYEU-SCZZXKLOSA-N 1 2 278.337 0.945 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC000496793318 390364761 /nfs/dbraw/zinc/36/47/61/390364761.db2.gz LMKUOUNMDPSYEU-SCZZXKLOSA-N 1 2 278.337 0.945 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000584353829 390338329 /nfs/dbraw/zinc/33/83/29/390338329.db2.gz RIKKZSYKGULNNW-UHFFFAOYSA-N 1 2 274.280 0.788 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000584353829 390338331 /nfs/dbraw/zinc/33/83/31/390338331.db2.gz RIKKZSYKGULNNW-UHFFFAOYSA-N 1 2 274.280 0.788 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000589491144 390360266 /nfs/dbraw/zinc/36/02/66/390360266.db2.gz ZWYXDYDHGQFCRN-JTQLQIEISA-N 1 2 267.292 0.895 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)nn1 ZINC000648771300 390405871 /nfs/dbraw/zinc/40/58/71/390405871.db2.gz MCCNUFUDTSYKIL-NWDGAFQWSA-N 1 2 293.371 0.303 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000645511587 390439166 /nfs/dbraw/zinc/43/91/66/390439166.db2.gz VNFIYZFOVKZXRF-QWRGUYRKSA-N 1 2 276.340 0.341 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000645511587 390439169 /nfs/dbraw/zinc/43/91/69/390439169.db2.gz VNFIYZFOVKZXRF-QWRGUYRKSA-N 1 2 276.340 0.341 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482920 390455866 /nfs/dbraw/zinc/45/58/66/390455866.db2.gz MYQMRUPKTBKRGL-WZRBSPASSA-N 1 2 253.346 0.762 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CCC1 ZINC000561844125 390487831 /nfs/dbraw/zinc/48/78/31/390487831.db2.gz CNOCZSPBMQSYGF-VXGBXAGGSA-N 1 2 263.341 0.802 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CCC1 ZINC000561844125 390487836 /nfs/dbraw/zinc/48/78/36/390487836.db2.gz CNOCZSPBMQSYGF-VXGBXAGGSA-N 1 2 263.341 0.802 20 30 CCEDLO C[C@H](CNc1ncc2c(c1C#N)CCC2)[NH+]1CCN(C)CC1 ZINC000519639126 390521159 /nfs/dbraw/zinc/52/11/59/390521159.db2.gz JCIIVJBOAKFOOP-CYBMUJFWSA-N 1 2 299.422 0.912 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccncc1F ZINC000567995661 390711952 /nfs/dbraw/zinc/71/19/52/390711952.db2.gz RIAKCRCEJGHMMS-LBPRGKRZSA-N 1 2 250.277 0.794 20 30 CCEDLO N#CCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000570630478 390718892 /nfs/dbraw/zinc/71/88/92/390718892.db2.gz OUQLFOFEFGCFBI-UHFFFAOYSA-N 1 2 286.335 0.856 20 30 CCEDLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570899361 390723525 /nfs/dbraw/zinc/72/35/25/390723525.db2.gz XIRKGDFZNUGQBF-OBJOEFQTSA-N 1 2 283.372 0.531 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)NC1CC1 ZINC000527050327 390689942 /nfs/dbraw/zinc/68/99/42/390689942.db2.gz VWDSJKUCAPARKH-JTQLQIEISA-N 1 2 278.356 0.148 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)NC1CC1 ZINC000527050327 390689944 /nfs/dbraw/zinc/68/99/44/390689944.db2.gz VWDSJKUCAPARKH-JTQLQIEISA-N 1 2 278.356 0.148 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#N)n1 ZINC000572519809 390787630 /nfs/dbraw/zinc/78/76/30/390787630.db2.gz WJZJUUDKRDHEFT-UHFFFAOYSA-N 1 2 289.339 0.749 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000571639289 390745667 /nfs/dbraw/zinc/74/56/67/390745667.db2.gz UMZVMBPWNOZVOR-ZDUSSCGKSA-N 1 2 274.324 0.153 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000571639289 390745671 /nfs/dbraw/zinc/74/56/71/390745671.db2.gz UMZVMBPWNOZVOR-ZDUSSCGKSA-N 1 2 274.324 0.153 20 30 CCEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C ZINC000578135347 390866389 /nfs/dbraw/zinc/86/63/89/390866389.db2.gz BRJMSNAATGSUDA-LBPRGKRZSA-N 1 2 265.317 0.002 20 30 CCEDLO CCN1CCN(c2nccnc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530427844 390876977 /nfs/dbraw/zinc/87/69/77/390876977.db2.gz WDOMPPNMAKIGMU-LBPRGKRZSA-N 1 2 283.339 0.955 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000578667215 390897661 /nfs/dbraw/zinc/89/76/61/390897661.db2.gz JVRMWLCQEQZAFU-CMPLNLGQSA-N 1 2 295.339 0.449 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000578667215 390897662 /nfs/dbraw/zinc/89/76/62/390897662.db2.gz JVRMWLCQEQZAFU-CMPLNLGQSA-N 1 2 295.339 0.449 20 30 CCEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000252371874 131133285 /nfs/dbraw/zinc/13/32/85/131133285.db2.gz DWXSDAYRPXAKGC-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000252371874 131133288 /nfs/dbraw/zinc/13/32/88/131133288.db2.gz DWXSDAYRPXAKGC-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000357390266 144087831 /nfs/dbraw/zinc/08/78/31/144087831.db2.gz JHYNIDCGVPJTRE-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000357390266 144087833 /nfs/dbraw/zinc/08/78/33/144087833.db2.gz JHYNIDCGVPJTRE-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO Cc1nc(C(=O)NCCc2c[nH+]cn2C)ccc1C#N ZINC000547804545 285978305 /nfs/dbraw/zinc/97/83/05/285978305.db2.gz AGGFNYKURSGPBI-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(C(N)=O)CC2)nn1 ZINC000653488323 412305743 /nfs/dbraw/zinc/30/57/43/412305743.db2.gz NWLXBWVNXXXXOY-UHFFFAOYSA-N 1 2 263.345 0.552 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000653571288 412319148 /nfs/dbraw/zinc/31/91/48/412319148.db2.gz DIZHIMPIPPSJPU-UHFFFAOYSA-N 1 2 265.361 0.940 20 30 CCEDLO C=CCCn1cc(C[N@H+](CC(N)=O)C(C)(C)C)nn1 ZINC000653571288 412319150 /nfs/dbraw/zinc/31/91/50/412319150.db2.gz DIZHIMPIPPSJPU-UHFFFAOYSA-N 1 2 265.361 0.940 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)nn1 ZINC000653661234 412332687 /nfs/dbraw/zinc/33/26/87/412332687.db2.gz HHZBRBOMFWRFLN-CMPLNLGQSA-N 1 2 263.345 0.468 20 30 CCEDLO CC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000034674124 171859361 /nfs/dbraw/zinc/85/93/61/171859361.db2.gz YGHCLNLCYXXBNM-HNNXBMFYSA-N 1 2 273.336 0.756 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661278549 414590453 /nfs/dbraw/zinc/59/04/53/414590453.db2.gz DETMTRBCAAZCEJ-AEJSXWLSSA-N 1 2 250.302 0.735 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@@](CO)(OC)C2)nn1 ZINC000661383675 414608482 /nfs/dbraw/zinc/60/84/82/414608482.db2.gz DICYELWWPSTKQI-CQSZACIVSA-N 1 2 280.372 0.828 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)nn1 ZINC000661383675 414608486 /nfs/dbraw/zinc/60/84/86/414608486.db2.gz DICYELWWPSTKQI-CQSZACIVSA-N 1 2 280.372 0.828 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664704454 415450473 /nfs/dbraw/zinc/45/04/73/415450473.db2.gz VIZSWDZGWBVJHB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664704454 415450481 /nfs/dbraw/zinc/45/04/81/415450481.db2.gz VIZSWDZGWBVJHB-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000347065609 226011483 /nfs/dbraw/zinc/01/14/83/226011483.db2.gz JRAFLLHGULDPIP-NSHDSACASA-N 1 2 274.324 0.694 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)Nc2nncn2C2CC2)[N@H+](C)C1 ZINC000329150642 227327450 /nfs/dbraw/zinc/32/74/50/227327450.db2.gz ZREMHFLJFQNRLK-UWVGGRQHSA-N 1 2 265.317 0.920 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)Nc2nncn2C2CC2)[N@@H+](C)C1 ZINC000329150642 227327454 /nfs/dbraw/zinc/32/74/54/227327454.db2.gz ZREMHFLJFQNRLK-UWVGGRQHSA-N 1 2 265.317 0.920 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329999977 228012935 /nfs/dbraw/zinc/01/29/35/228012935.db2.gz VRQLBHUKOLIQFS-UXCLJVHYSA-N 1 2 262.313 0.346 20 30 CCEDLO [O-]C(N[C@H]1[C@@H]2COC[C@@H]21)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329999977 228012937 /nfs/dbraw/zinc/01/29/37/228012937.db2.gz VRQLBHUKOLIQFS-UXCLJVHYSA-N 1 2 262.313 0.346 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(C2CC2)nn1 ZINC000330074065 228032913 /nfs/dbraw/zinc/03/29/13/228032913.db2.gz CPFVYNZZMXXRGM-UHFFFAOYSA-N 1 2 291.355 0.434 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCO1 ZINC000330223834 228072123 /nfs/dbraw/zinc/07/21/23/228072123.db2.gz SMOVUKSVPXMJSU-MNOVXSKESA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(NC[C@@H]1CCCO1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330223834 228072125 /nfs/dbraw/zinc/07/21/25/228072125.db2.gz SMOVUKSVPXMJSU-MNOVXSKESA-N 1 2 264.329 0.881 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332023720 228144035 /nfs/dbraw/zinc/14/40/35/228144035.db2.gz GIRAJCRYGRYEQQ-LLVKDONJSA-N 1 2 294.399 0.784 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332023720 228144037 /nfs/dbraw/zinc/14/40/37/228144037.db2.gz GIRAJCRYGRYEQQ-LLVKDONJSA-N 1 2 294.399 0.784 20 30 CCEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC(=O)NCC#N ZINC000351932314 228167230 /nfs/dbraw/zinc/16/72/30/228167230.db2.gz YXQUVJFBNPXOME-UHFFFAOYSA-N 1 2 261.285 0.460 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@H]1CCCCO1 ZINC000329438021 545022637 /nfs/dbraw/zinc/02/26/37/545022637.db2.gz JPLGMVJYMXEZGZ-BFHYXJOUSA-N 1 2 298.431 0.693 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@H]1CCCCO1 ZINC000329438021 545022638 /nfs/dbraw/zinc/02/26/38/545022638.db2.gz JPLGMVJYMXEZGZ-BFHYXJOUSA-N 1 2 298.431 0.693 20 30 CCEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[NH+]1CCOCC1 ZINC000329579559 545023756 /nfs/dbraw/zinc/02/37/56/545023756.db2.gz UHDCWMBDUOHYAW-UHFFFAOYSA-N 1 2 298.343 0.446 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cnccn1 ZINC000329563738 545023791 /nfs/dbraw/zinc/02/37/91/545023791.db2.gz NQTXCVXYKWYJGT-LBPRGKRZSA-N 1 2 293.371 0.543 20 30 CCEDLO [O-]C(NC[C@@H]1CC[C@H](O)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329914757 545027951 /nfs/dbraw/zinc/02/79/51/545027951.db2.gz CPZOZCZHEASKNY-UTUOFQBUSA-N 1 2 278.356 0.863 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[C@H](O)C1 ZINC000329914757 545027954 /nfs/dbraw/zinc/02/79/54/545027954.db2.gz CPZOZCZHEASKNY-UTUOFQBUSA-N 1 2 278.356 0.863 20 30 CCEDLO CC(C)[C@@H](C(=O)NCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000407962986 260101450 /nfs/dbraw/zinc/10/14/50/260101450.db2.gz FIFXPWZIDSORRV-TUAOUCFPSA-N 1 2 253.346 0.760 20 30 CCEDLO CC(C)[C@@H](C(=O)NCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000407962986 260101451 /nfs/dbraw/zinc/10/14/51/260101451.db2.gz FIFXPWZIDSORRV-TUAOUCFPSA-N 1 2 253.346 0.760 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000297708862 260132448 /nfs/dbraw/zinc/13/24/48/260132448.db2.gz AVJROGYTWOFKSL-LBPRGKRZSA-N 1 2 267.373 0.363 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049000951 260202997 /nfs/dbraw/zinc/20/29/97/260202997.db2.gz ZFBJPNZKPQAXHR-NSHDSACASA-N 1 2 297.380 0.804 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049000951 260202999 /nfs/dbraw/zinc/20/29/99/260202999.db2.gz ZFBJPNZKPQAXHR-NSHDSACASA-N 1 2 297.380 0.804 20 30 CCEDLO CC[N@H+](CCC#N)CCc1cn(CC(=O)OC)nn1 ZINC000154254573 261089679 /nfs/dbraw/zinc/08/96/79/261089679.db2.gz BNTWHWDECRNTSF-UHFFFAOYSA-N 1 2 265.317 0.229 20 30 CCEDLO CC[N@@H+](CCC#N)CCc1cn(CC(=O)OC)nn1 ZINC000154254573 261089680 /nfs/dbraw/zinc/08/96/80/261089680.db2.gz BNTWHWDECRNTSF-UHFFFAOYSA-N 1 2 265.317 0.229 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000491241674 261385362 /nfs/dbraw/zinc/38/53/62/261385362.db2.gz KUNNXMSTOHUPHK-QWRGUYRKSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000491241674 261385364 /nfs/dbraw/zinc/38/53/64/261385364.db2.gz KUNNXMSTOHUPHK-QWRGUYRKSA-N 1 2 251.330 0.864 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000526057955 261981732 /nfs/dbraw/zinc/98/17/32/261981732.db2.gz FWXRNRNFYFLPEC-RKDXNWHRSA-N 1 2 277.328 0.980 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497251893 262123056 /nfs/dbraw/zinc/12/30/56/262123056.db2.gz KWJJTFYLIRZFTP-LBPRGKRZSA-N 1 2 294.355 0.369 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497251893 262123058 /nfs/dbraw/zinc/12/30/58/262123058.db2.gz KWJJTFYLIRZFTP-LBPRGKRZSA-N 1 2 294.355 0.369 20 30 CCEDLO Cc1cccc(OCCNC(=O)CO[NH+]=C(N)CCO)c1 ZINC000274314636 263022922 /nfs/dbraw/zinc/02/29/22/263022922.db2.gz BPHDXWLTYMVFIV-UHFFFAOYSA-N 1 2 295.339 0.161 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000281528225 263069861 /nfs/dbraw/zinc/06/98/61/263069861.db2.gz LZUUHWQUWQTCDY-INIZCTEOSA-N 1 2 297.358 0.873 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000281528225 263069862 /nfs/dbraw/zinc/06/98/62/263069862.db2.gz LZUUHWQUWQTCDY-INIZCTEOSA-N 1 2 297.358 0.873 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2nnn(C)n2)cs1 ZINC000283444038 263082796 /nfs/dbraw/zinc/08/27/96/263082796.db2.gz DJMBSYMZHNIWPG-UHFFFAOYSA-N 1 2 267.318 0.007 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2nc(N(C)C)no2)cs1 ZINC000283489692 263083059 /nfs/dbraw/zinc/08/30/59/263083059.db2.gz ILWRODFGFWILEO-UHFFFAOYSA-N 1 2 296.356 0.932 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340221441 263097133 /nfs/dbraw/zinc/09/71/33/263097133.db2.gz KBAAKOSSQQFFIP-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340221441 263097134 /nfs/dbraw/zinc/09/71/34/263097134.db2.gz KBAAKOSSQQFFIP-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226602 263098264 /nfs/dbraw/zinc/09/82/64/263098264.db2.gz SBRWWZYCENGIAN-JTNHKYCSSA-N 1 2 280.372 0.250 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226602 263098265 /nfs/dbraw/zinc/09/82/65/263098265.db2.gz SBRWWZYCENGIAN-JTNHKYCSSA-N 1 2 280.372 0.250 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289075790 263107295 /nfs/dbraw/zinc/10/72/95/263107295.db2.gz KAOWLHBHUZVOOX-GZTJUZNOSA-N 1 2 286.335 0.835 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCc2nnn(C)n2)ccc1F ZINC000289397736 263109887 /nfs/dbraw/zinc/10/98/87/263109887.db2.gz NMOIRQPAFRKECD-UHFFFAOYSA-N 1 2 264.264 0.495 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121470980 263295590 /nfs/dbraw/zinc/29/55/90/263295590.db2.gz QLNKHPVODGCGKA-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121470980 263295592 /nfs/dbraw/zinc/29/55/92/263295592.db2.gz QLNKHPVODGCGKA-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[C@H](CO)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000340902138 263309436 /nfs/dbraw/zinc/30/94/36/263309436.db2.gz TWAQKXJBSDJBEZ-JTQLQIEISA-N 1 2 274.328 0.841 20 30 CCEDLO COc1ccc2c(c1OC)CC[N@@H+](CC(=O)NCC#N)C2 ZINC000340981082 263317009 /nfs/dbraw/zinc/31/70/09/263317009.db2.gz YJCKOGSKGMXNNC-UHFFFAOYSA-N 1 2 289.335 0.702 20 30 CCEDLO COc1ccc2c(c1OC)CC[N@H+](CC(=O)NCC#N)C2 ZINC000340981082 263317011 /nfs/dbraw/zinc/31/70/11/263317011.db2.gz YJCKOGSKGMXNNC-UHFFFAOYSA-N 1 2 289.335 0.702 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[NH+]1CCOCC1 ZINC000328689860 263843775 /nfs/dbraw/zinc/84/37/75/263843775.db2.gz QQIIZIUKFRKEFB-LLVKDONJSA-N 1 2 295.383 0.817 20 30 CCEDLO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000330631519 264000285 /nfs/dbraw/zinc/00/02/85/264000285.db2.gz PQHHWEXUHUCBFO-GFCCVEGCSA-N 1 2 297.380 0.484 20 30 CCEDLO CNC(=O)c1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000330631519 264000286 /nfs/dbraw/zinc/00/02/86/264000286.db2.gz PQHHWEXUHUCBFO-GFCCVEGCSA-N 1 2 297.380 0.484 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773766 264034436 /nfs/dbraw/zinc/03/44/36/264034436.db2.gz FXURFKUUKWSLSM-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000330773766 264034438 /nfs/dbraw/zinc/03/44/38/264034438.db2.gz FXURFKUUKWSLSM-CHWSQXEVSA-N 1 2 294.399 0.547 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000330814679 264045395 /nfs/dbraw/zinc/04/53/95/264045395.db2.gz LNOLLXKMZYASBI-UHFFFAOYSA-N 1 2 277.332 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330857887 264054720 /nfs/dbraw/zinc/05/47/20/264054720.db2.gz UNKSLWHQMUCDDC-NWDGAFQWSA-N 1 2 285.413 0.404 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330857887 264054721 /nfs/dbraw/zinc/05/47/21/264054721.db2.gz UNKSLWHQMUCDDC-NWDGAFQWSA-N 1 2 285.413 0.404 20 30 CCEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000330851924 264067918 /nfs/dbraw/zinc/06/79/18/264067918.db2.gz QJLGWEARJIYUJA-UHFFFAOYSA-N 1 2 273.336 0.389 20 30 CCEDLO Cn1cccc1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330934311 264079640 /nfs/dbraw/zinc/07/96/40/264079640.db2.gz IBVOUQVYSLMFHT-ZDUSSCGKSA-N 1 2 279.388 0.275 20 30 CCEDLO Cn1cccc1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330934311 264079641 /nfs/dbraw/zinc/07/96/41/264079641.db2.gz IBVOUQVYSLMFHT-ZDUSSCGKSA-N 1 2 279.388 0.275 20 30 CCEDLO COCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330936138 264081030 /nfs/dbraw/zinc/08/10/30/264081030.db2.gz QRKHSNNJNCGBJS-LLVKDONJSA-N 1 2 272.393 0.161 20 30 CCEDLO COCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330936138 264081032 /nfs/dbraw/zinc/08/10/32/264081032.db2.gz QRKHSNNJNCGBJS-LLVKDONJSA-N 1 2 272.393 0.161 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000330937989 264082040 /nfs/dbraw/zinc/08/20/40/264082040.db2.gz BCJUCJFBPFIQPF-NXEZZACHSA-N 1 2 295.343 0.518 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000330937989 264082041 /nfs/dbraw/zinc/08/20/41/264082041.db2.gz BCJUCJFBPFIQPF-NXEZZACHSA-N 1 2 295.343 0.518 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000330937633 264082114 /nfs/dbraw/zinc/08/21/14/264082114.db2.gz ATQPMCVFNKTJPU-NSHDSACASA-N 1 2 294.355 0.446 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000330937633 264082115 /nfs/dbraw/zinc/08/21/15/264082115.db2.gz ATQPMCVFNKTJPU-NSHDSACASA-N 1 2 294.355 0.446 20 30 CCEDLO C[C@]1(CO)CCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000330924553 264094618 /nfs/dbraw/zinc/09/46/18/264094618.db2.gz URJPGGYQMVPAEW-GXTWGEPZSA-N 1 2 285.388 0.373 20 30 CCEDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)nn1C ZINC000331258145 264183125 /nfs/dbraw/zinc/18/31/25/264183125.db2.gz FCCLPWSWOKEMKO-UHFFFAOYSA-N 1 2 295.387 0.587 20 30 CCEDLO Cc1cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)nn1C ZINC000331258145 264183128 /nfs/dbraw/zinc/18/31/28/264183128.db2.gz FCCLPWSWOKEMKO-UHFFFAOYSA-N 1 2 295.387 0.587 20 30 CCEDLO CNC(=O)NC(=O)CC[NH2+]C1(C(=O)OC)CCCC1 ZINC000331340475 264195288 /nfs/dbraw/zinc/19/52/88/264195288.db2.gz KATPTOAWNHYKTL-UHFFFAOYSA-N 1 2 271.317 0.112 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343263095 264261717 /nfs/dbraw/zinc/26/17/17/264261717.db2.gz HDBORUXOXJZYKN-SWLSCSKDSA-N 1 2 296.415 0.887 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343263095 264261718 /nfs/dbraw/zinc/26/17/18/264261718.db2.gz HDBORUXOXJZYKN-SWLSCSKDSA-N 1 2 296.415 0.887 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C(C)C ZINC000073787047 264298627 /nfs/dbraw/zinc/29/86/27/264298627.db2.gz QMHVFIAACCEEMK-UHFFFAOYSA-N 1 2 253.346 0.301 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357676078 266344863 /nfs/dbraw/zinc/34/48/63/266344863.db2.gz OETGESCOLKLATH-TZMCWYRMSA-N 1 2 282.384 0.683 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357676078 266344865 /nfs/dbraw/zinc/34/48/65/266344865.db2.gz OETGESCOLKLATH-TZMCWYRMSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367501124 267095142 /nfs/dbraw/zinc/09/51/42/267095142.db2.gz VJQFRSGLGUVUFF-NEPJUHHUSA-N 1 2 251.330 0.124 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369219710 267227964 /nfs/dbraw/zinc/22/79/64/267227964.db2.gz PTBNWFYHXSWJID-GFCCVEGCSA-N 1 2 288.355 0.302 20 30 CCEDLO C[C@@H]1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)=NO1 ZINC000377095494 268047499 /nfs/dbraw/zinc/04/74/99/268047499.db2.gz YTUPIGASEZZDQG-ZYHUDNBSSA-N 1 2 281.356 0.868 20 30 CCEDLO C[C@@H]1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)=NO1 ZINC000377095494 268047501 /nfs/dbraw/zinc/04/75/01/268047501.db2.gz YTUPIGASEZZDQG-ZYHUDNBSSA-N 1 2 281.356 0.868 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000355121958 276958312 /nfs/dbraw/zinc/95/83/12/276958312.db2.gz HSAFTRIVQKTVBL-ZDUSSCGKSA-N 1 2 285.351 0.306 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CC[C@@H](O)C12CCCC2 ZINC000330353039 279713189 /nfs/dbraw/zinc/71/31/89/279713189.db2.gz NZHNUDXULKXCNY-CYBMUJFWSA-N 1 2 297.399 0.612 20 30 CCEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](C)C#N ZINC000183834704 327821801 /nfs/dbraw/zinc/82/18/01/327821801.db2.gz PHMCVSGNGOKYMM-NSHDSACASA-N 1 2 277.372 0.814 20 30 CCEDLO CC1CC(C#N)(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000531570735 328018803 /nfs/dbraw/zinc/01/88/03/328018803.db2.gz NNPFLQQYQGTAFM-OWYJLGKBSA-N 1 2 295.383 0.078 20 30 CCEDLO C=C(C)COCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413213210 328142739 /nfs/dbraw/zinc/14/27/39/328142739.db2.gz YFLQOYQICACSAY-LLVKDONJSA-N 1 2 266.345 0.696 20 30 CCEDLO C=C(C)COCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413213210 328142741 /nfs/dbraw/zinc/14/27/41/328142741.db2.gz YFLQOYQICACSAY-LLVKDONJSA-N 1 2 266.345 0.696 20 30 CCEDLO COc1ccccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000268366423 328184381 /nfs/dbraw/zinc/18/43/81/328184381.db2.gz GYWFNLXXODIWDS-UHFFFAOYSA-N 1 2 279.340 0.816 20 30 CCEDLO CC1CC(C#N)(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000394776603 329134867 /nfs/dbraw/zinc/13/48/67/329134867.db2.gz CAMVHANUNOFKBR-MBHSVXNSSA-N 1 2 262.357 0.042 20 30 CCEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(CC#N)CC2)n1 ZINC000177462008 329184377 /nfs/dbraw/zinc/18/43/77/329184377.db2.gz PWFKQJQWIPSTPU-LLVKDONJSA-N 1 2 279.344 0.808 20 30 CCEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(CC#N)CC2)n1 ZINC000177462008 329184378 /nfs/dbraw/zinc/18/43/78/329184378.db2.gz PWFKQJQWIPSTPU-LLVKDONJSA-N 1 2 279.344 0.808 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(N)=O)Cc1ccc(F)cc1 ZINC000049442244 328361636 /nfs/dbraw/zinc/36/16/36/328361636.db2.gz NMHYAHMJIAHWHL-UHFFFAOYSA-N 1 2 263.272 0.456 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(N)=O)Cc1ccc(F)cc1 ZINC000049442244 328361638 /nfs/dbraw/zinc/36/16/38/328361638.db2.gz NMHYAHMJIAHWHL-UHFFFAOYSA-N 1 2 263.272 0.456 20 30 CCEDLO COc1ccc(S(=O)(=O)N2CC([NH2+]CCC#N)C2)cc1 ZINC000570154949 327572486 /nfs/dbraw/zinc/57/24/86/327572486.db2.gz IIFNJXWHMFGFAN-UHFFFAOYSA-N 1 2 295.364 0.571 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000042288202 328764187 /nfs/dbraw/zinc/76/41/87/328764187.db2.gz IJAJSOOSEQRXNH-CYBMUJFWSA-N 1 2 272.352 0.342 20 30 CCEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CC#N ZINC000377614946 329020432 /nfs/dbraw/zinc/02/04/32/329020432.db2.gz LTJNIAGBAUFHSP-CYBMUJFWSA-N 1 2 269.308 0.639 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCC#N ZINC000171422748 329075979 /nfs/dbraw/zinc/07/59/79/329075979.db2.gz FZECTTJSVIMNMD-GFCCVEGCSA-N 1 2 268.361 0.700 20 30 CCEDLO CCCN1CCC[N@H+](CC(=O)N(CC)CCC#N)CC1=O ZINC000189419476 329382095 /nfs/dbraw/zinc/38/20/95/329382095.db2.gz TUHAFZKDEUUUFF-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO CCCN1CCC[N@@H+](CC(=O)N(CC)CCC#N)CC1=O ZINC000189419476 329382097 /nfs/dbraw/zinc/38/20/97/329382097.db2.gz TUHAFZKDEUUUFF-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO COCCn1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000516654998 330076768 /nfs/dbraw/zinc/07/67/68/330076768.db2.gz UQPIQZHUNVNQHC-ZDUSSCGKSA-N 1 2 279.344 0.103 20 30 CCEDLO C=CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080619719 330144966 /nfs/dbraw/zinc/14/49/66/330144966.db2.gz JPNXUISCCGUVLI-LBPRGKRZSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)nn1 ZINC000424290869 330334756 /nfs/dbraw/zinc/33/47/56/330334756.db2.gz CHXQNDQXJXVQLO-CHWSQXEVSA-N 1 2 298.412 0.910 20 30 CCEDLO C#CC[N@@H+](CCCCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000116878742 330361154 /nfs/dbraw/zinc/36/11/54/330361154.db2.gz QUCGZVRAPSHJFE-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C#CC[N@H+](CCCCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000116878742 330361155 /nfs/dbraw/zinc/36/11/55/330361155.db2.gz QUCGZVRAPSHJFE-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442684908 330779536 /nfs/dbraw/zinc/77/95/36/330779536.db2.gz UAHJSCKNOBOIGZ-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451381430 331026506 /nfs/dbraw/zinc/02/65/06/331026506.db2.gz UBJWZWPLNJVRGL-LLVKDONJSA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451381430 331026507 /nfs/dbraw/zinc/02/65/07/331026507.db2.gz UBJWZWPLNJVRGL-LLVKDONJSA-N 1 2 276.340 0.914 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000457209355 331216108 /nfs/dbraw/zinc/21/61/08/331216108.db2.gz YRNVPQSOWZOOEZ-NSHDSACASA-N 1 2 271.386 0.422 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000457813381 331235241 /nfs/dbraw/zinc/23/52/41/331235241.db2.gz KBHIYTYMXUCQFJ-NEPJUHHUSA-N 1 2 266.345 0.898 20 30 CCEDLO C=CCCCS(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000489800790 332068500 /nfs/dbraw/zinc/06/85/00/332068500.db2.gz XWTYABVAXUDJHV-CYBMUJFWSA-N 1 2 290.429 0.935 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000490715553 332107931 /nfs/dbraw/zinc/10/79/31/332107931.db2.gz XFGKFCCZONCQQL-LSDHHAIUSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490852792 332120025 /nfs/dbraw/zinc/12/00/25/332120025.db2.gz NSEVVUHWXUCIPW-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490852792 332120027 /nfs/dbraw/zinc/12/00/27/332120027.db2.gz NSEVVUHWXUCIPW-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CCNC(=O)c1ccc(NCc2[nH+]ccn2C)nc1 ZINC000490914165 332128375 /nfs/dbraw/zinc/12/83/75/332128375.db2.gz GMSAUNCHXGGKBK-UHFFFAOYSA-N 1 2 269.308 0.790 20 30 CCEDLO C#C[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)C(C)C ZINC000490995376 332137064 /nfs/dbraw/zinc/13/70/64/332137064.db2.gz JGEKRWJHLVVPJC-LBPRGKRZSA-N 1 2 267.373 0.217 20 30 CCEDLO C#C[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)C(C)C ZINC000490995376 332137066 /nfs/dbraw/zinc/13/70/66/332137066.db2.gz JGEKRWJHLVVPJC-LBPRGKRZSA-N 1 2 267.373 0.217 20 30 CCEDLO C#CCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491067548 332144786 /nfs/dbraw/zinc/14/47/86/332144786.db2.gz JDMNXIASBZHDND-UHFFFAOYSA-N 1 2 256.265 0.364 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000491340607 332193914 /nfs/dbraw/zinc/19/39/14/332193914.db2.gz YYCPFUNNLQGEAC-LLVKDONJSA-N 1 2 279.340 0.041 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000491340607 332193915 /nfs/dbraw/zinc/19/39/15/332193915.db2.gz YYCPFUNNLQGEAC-LLVKDONJSA-N 1 2 279.340 0.041 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000491635435 332256639 /nfs/dbraw/zinc/25/66/39/332256639.db2.gz VAFPUIFOZXPNFY-GWCFXTLKSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000491635435 332256640 /nfs/dbraw/zinc/25/66/40/332256640.db2.gz VAFPUIFOZXPNFY-GWCFXTLKSA-N 1 2 251.330 0.864 20 30 CCEDLO C#CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491637871 332258099 /nfs/dbraw/zinc/25/80/99/332258099.db2.gz XEJFHBVBDPFVGJ-LBPRGKRZSA-N 1 2 276.340 0.233 20 30 CCEDLO C#CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491637871 332258100 /nfs/dbraw/zinc/25/81/00/332258100.db2.gz XEJFHBVBDPFVGJ-LBPRGKRZSA-N 1 2 276.340 0.233 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000491658660 332269734 /nfs/dbraw/zinc/26/97/34/332269734.db2.gz AXYCHBIIYDLVMG-WCQYABFASA-N 1 2 288.351 0.249 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000491658660 332269735 /nfs/dbraw/zinc/26/97/35/332269735.db2.gz AXYCHBIIYDLVMG-WCQYABFASA-N 1 2 288.351 0.249 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000491741554 332320280 /nfs/dbraw/zinc/32/02/80/332320280.db2.gz RJZFJYMKWBKNSJ-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491741408 332320306 /nfs/dbraw/zinc/32/03/06/332320306.db2.gz FRTKWVDKUBNPPB-CHWSQXEVSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000491776571 332342131 /nfs/dbraw/zinc/34/21/31/332342131.db2.gz YJXYSZCQBYBBEQ-JTQLQIEISA-N 1 2 265.313 0.344 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000491776571 332342132 /nfs/dbraw/zinc/34/21/32/332342132.db2.gz YJXYSZCQBYBBEQ-JTQLQIEISA-N 1 2 265.313 0.344 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491788472 332350943 /nfs/dbraw/zinc/35/09/43/332350943.db2.gz ZERJSVDCGGSZSQ-JTQLQIEISA-N 1 2 275.308 0.760 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491788472 332350944 /nfs/dbraw/zinc/35/09/44/332350944.db2.gz ZERJSVDCGGSZSQ-JTQLQIEISA-N 1 2 275.308 0.760 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000491812443 332364582 /nfs/dbraw/zinc/36/45/82/332364582.db2.gz HNQKHTMZYOGATK-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccncn1 ZINC000492943311 332419603 /nfs/dbraw/zinc/41/96/03/332419603.db2.gz BISJWTULSDJSQH-ZFDPJTLLSA-N 1 2 259.313 0.450 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493757625 332452906 /nfs/dbraw/zinc/45/29/06/332452906.db2.gz QVDQTVGSAOCXHE-OWOJBTEDSA-N 1 2 273.296 0.007 20 30 CCEDLO COC[C@H](C)[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000517153416 333093135 /nfs/dbraw/zinc/09/31/35/333093135.db2.gz DADSVHKIHIKYDF-GVXVVHGQSA-N 1 2 255.362 0.865 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007923600 333103532 /nfs/dbraw/zinc/10/35/32/333103532.db2.gz PGVSTIXDLYFCHK-CQSZACIVSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007923600 333103533 /nfs/dbraw/zinc/10/35/33/333103533.db2.gz PGVSTIXDLYFCHK-CQSZACIVSA-N 1 2 282.388 0.497 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219263 334241970 /nfs/dbraw/zinc/24/19/70/334241970.db2.gz ZLBCYSMPBLFCFP-NXEZZACHSA-N 1 2 295.305 0.850 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219263 334241972 /nfs/dbraw/zinc/24/19/72/334241972.db2.gz ZLBCYSMPBLFCFP-NXEZZACHSA-N 1 2 295.305 0.850 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248485722 334304086 /nfs/dbraw/zinc/30/40/86/334304086.db2.gz KULFNYZSPPBRLV-MVBJNABHSA-N 1 2 287.429 0.740 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248485722 334304088 /nfs/dbraw/zinc/30/40/88/334304088.db2.gz KULFNYZSPPBRLV-MVBJNABHSA-N 1 2 287.429 0.740 20 30 CCEDLO C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)n1cc[nH+]c1 ZINC000577072093 335295389 /nfs/dbraw/zinc/29/53/89/335295389.db2.gz XSTFRRFKXIPARB-MRVPVSSYSA-N 1 2 269.268 0.939 20 30 CCEDLO C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)n1cc[nH+]c1 ZINC000577072093 335295390 /nfs/dbraw/zinc/29/53/90/335295390.db2.gz XSTFRRFKXIPARB-MRVPVSSYSA-N 1 2 269.268 0.939 20 30 CCEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCC1)C1COC1 ZINC000577261688 335331404 /nfs/dbraw/zinc/33/14/04/335331404.db2.gz QLIOPMJRVCNPFT-UHFFFAOYSA-N 1 2 251.330 0.658 20 30 CCEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)C1COC1 ZINC000577261688 335331405 /nfs/dbraw/zinc/33/14/05/335331405.db2.gz QLIOPMJRVCNPFT-UHFFFAOYSA-N 1 2 251.330 0.658 20 30 CCEDLO Cc1noc(C)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580749838 335961758 /nfs/dbraw/zinc/96/17/58/335961758.db2.gz NEUPXGAEQIPVJM-ZDUSSCGKSA-N 1 2 264.329 0.794 20 30 CCEDLO COCC(COC)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000581195958 336023093 /nfs/dbraw/zinc/02/30/93/336023093.db2.gz SQCQYSICNLKTLX-CYBMUJFWSA-N 1 2 269.389 0.958 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751017622 582068381 /nfs/dbraw/zinc/06/83/81/582068381.db2.gz XCFVQKSCCORTCI-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CNC(=S)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751017622 582068383 /nfs/dbraw/zinc/06/83/83/582068383.db2.gz XCFVQKSCCORTCI-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C[C@@]1(NC(=O)NCC[NH+]2CCOCC2)CCCOC1 ZINC000329122847 534271780 /nfs/dbraw/zinc/27/17/80/534271780.db2.gz RKECMACWNLUSRZ-CYBMUJFWSA-N 1 2 271.361 0.391 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000341592377 523581085 /nfs/dbraw/zinc/58/10/85/523581085.db2.gz NBSIWSWSXFUCSX-UHFFFAOYSA-N 1 2 297.318 0.670 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000425232064 534812918 /nfs/dbraw/zinc/81/29/18/534812918.db2.gz DZFISIMFIQKHBV-LBPRGKRZSA-N 1 2 287.323 0.878 20 30 CCEDLO CC#CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000355173229 526323261 /nfs/dbraw/zinc/32/32/61/526323261.db2.gz JFLSFTXSCFYJOU-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000665941015 545110119 /nfs/dbraw/zinc/11/01/19/545110119.db2.gz RKMSRPCJHWPRCX-UHFFFAOYSA-N 1 2 285.388 0.553 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331522787 526611163 /nfs/dbraw/zinc/61/11/63/526611163.db2.gz SQPKZPKNCJPCKY-NTZNESFSSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331522787 526611168 /nfs/dbraw/zinc/61/11/68/526611168.db2.gz SQPKZPKNCJPCKY-NTZNESFSSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCOCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000354835298 526701284 /nfs/dbraw/zinc/70/12/84/526701284.db2.gz KTADWEMOVHBMKT-UHFFFAOYSA-N 1 2 282.344 0.685 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666449305 545122989 /nfs/dbraw/zinc/12/29/89/545122989.db2.gz BCJWRRQSCKWIGM-WCQYABFASA-N 1 2 278.356 0.859 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347108145 527635444 /nfs/dbraw/zinc/63/54/44/527635444.db2.gz OXRLIUCKFMRLKE-RWMBFGLXSA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347108145 527635449 /nfs/dbraw/zinc/63/54/49/527635449.db2.gz OXRLIUCKFMRLKE-RWMBFGLXSA-N 1 2 295.383 0.150 20 30 CCEDLO CCN1CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1=O ZINC000330132832 527904674 /nfs/dbraw/zinc/90/46/74/527904674.db2.gz GFQNUNYANFUBFC-SNVBAGLBSA-N 1 2 265.317 0.307 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCNC1=O ZINC000331500178 527917687 /nfs/dbraw/zinc/91/76/87/527917687.db2.gz QSJZHGPUIUFZAL-SMDDNHRTSA-N 1 2 278.356 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCNC1=O ZINC000331500178 527917692 /nfs/dbraw/zinc/91/76/92/527917692.db2.gz QSJZHGPUIUFZAL-SMDDNHRTSA-N 1 2 278.356 0.005 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676989626 545356133 /nfs/dbraw/zinc/35/61/33/545356133.db2.gz JIKLZFBEDZMVSW-JTQLQIEISA-N 1 2 250.302 0.340 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676989626 545356134 /nfs/dbraw/zinc/35/61/34/545356134.db2.gz JIKLZFBEDZMVSW-JTQLQIEISA-N 1 2 250.302 0.340 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000125735414 581122045 /nfs/dbraw/zinc/12/20/45/581122045.db2.gz CVXPBKYLCPBKMF-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO C=CCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000125735414 581122047 /nfs/dbraw/zinc/12/20/47/581122047.db2.gz CVXPBKYLCPBKMF-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO CC(=O)CC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000788274498 581103215 /nfs/dbraw/zinc/10/32/15/581103215.db2.gz IFRNUBMMDLOPGT-UHFFFAOYSA-N 1 2 275.356 0.701 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC000778643545 581103509 /nfs/dbraw/zinc/10/35/09/581103509.db2.gz GOHQUMLHKYJIOS-UHFFFAOYSA-N 1 2 288.351 0.656 20 30 CCEDLO C#CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000777495662 581117770 /nfs/dbraw/zinc/11/77/70/581117770.db2.gz OHWMLUWAVYMUCD-UHFFFAOYSA-N 1 2 285.347 0.922 20 30 CCEDLO C=CCN(CCOC)C(=S)NCC[NH+]1CCOCC1 ZINC000790343194 581184504 /nfs/dbraw/zinc/18/45/04/581184504.db2.gz BCVZTGGMDSGAOC-UHFFFAOYSA-N 1 2 287.429 0.328 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@@H](C2CC2)O1 ZINC000791553343 581224481 /nfs/dbraw/zinc/22/44/81/581224481.db2.gz NBODLKZQSBEQCZ-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)C[C@@H](C2CC2)O1 ZINC000791553343 581224482 /nfs/dbraw/zinc/22/44/82/581224482.db2.gz NBODLKZQSBEQCZ-JQWIXIFHSA-N 1 2 251.330 0.516 20 30 CCEDLO C#CCCCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000780595060 581235372 /nfs/dbraw/zinc/23/53/72/581235372.db2.gz HJMTYFFHWSGSJR-UHFFFAOYSA-N 1 2 293.411 0.978 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000780986794 581254614 /nfs/dbraw/zinc/25/46/14/581254614.db2.gz QDLQESVFWZTGIG-DOMZBBRYSA-N 1 2 296.330 0.988 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000780986794 581254615 /nfs/dbraw/zinc/25/46/15/581254615.db2.gz QDLQESVFWZTGIG-DOMZBBRYSA-N 1 2 296.330 0.988 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CCCC3=O)C2)nc1 ZINC000793609268 581304717 /nfs/dbraw/zinc/30/47/17/581304717.db2.gz YEXUDONAEUNZTB-ZDUSSCGKSA-N 1 2 286.335 0.986 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CCCC3=O)C2)nc1 ZINC000793609268 581304719 /nfs/dbraw/zinc/30/47/19/581304719.db2.gz YEXUDONAEUNZTB-ZDUSSCGKSA-N 1 2 286.335 0.986 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782621970 581315227 /nfs/dbraw/zinc/31/52/27/581315227.db2.gz NUGSWUGXGZIAAM-DOMZBBRYSA-N 1 2 271.320 0.811 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782621970 581315229 /nfs/dbraw/zinc/31/52/29/581315229.db2.gz NUGSWUGXGZIAAM-DOMZBBRYSA-N 1 2 271.320 0.811 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000783618256 581353114 /nfs/dbraw/zinc/35/31/14/581353114.db2.gz ONPSAPWSPIMABL-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000783618256 581353116 /nfs/dbraw/zinc/35/31/16/581353116.db2.gz ONPSAPWSPIMABL-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C#CCOCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000783693396 581356499 /nfs/dbraw/zinc/35/64/99/581356499.db2.gz NZUKLDKKKLYYRV-UHFFFAOYSA-N 1 2 295.306 0.667 20 30 CCEDLO C[C@]1(C#N)CCCN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000783774477 581360987 /nfs/dbraw/zinc/36/09/87/581360987.db2.gz WLNPIHBKQUNQHS-CQSZACIVSA-N 1 2 296.440 0.819 20 30 CCEDLO CCN(CCC#N)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979017 581369676 /nfs/dbraw/zinc/36/96/76/581369676.db2.gz VKLXLQUXLPMESQ-LBPRGKRZSA-N 1 2 275.356 0.929 20 30 CCEDLO CCC(Cn1cncn1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000794524826 581374197 /nfs/dbraw/zinc/37/41/97/581374197.db2.gz VUQIBBUCBHDZCW-RYUDHWBXSA-N 1 2 275.360 0.904 20 30 CCEDLO C#CCOCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000784323491 581380125 /nfs/dbraw/zinc/38/01/25/581380125.db2.gz LSMFIWHXOOFZPB-UHFFFAOYSA-N 1 2 276.340 0.833 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794863983 581389674 /nfs/dbraw/zinc/38/96/74/581389674.db2.gz JYGCRUFLACMVCC-CBBWQLFWSA-N 1 2 286.331 0.942 20 30 CCEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794863983 581389675 /nfs/dbraw/zinc/38/96/75/581389675.db2.gz JYGCRUFLACMVCC-CBBWQLFWSA-N 1 2 286.331 0.942 20 30 CCEDLO CC#CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784901365 581397688 /nfs/dbraw/zinc/39/76/88/581397688.db2.gz MEKTZSJCNAAKCE-UHFFFAOYSA-N 1 2 288.351 0.924 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000785901140 581424587 /nfs/dbraw/zinc/42/45/87/581424587.db2.gz XPSJENFCFQKRMJ-UHFFFAOYSA-N 1 2 289.339 0.350 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000786143116 581432314 /nfs/dbraw/zinc/43/23/14/581432314.db2.gz FJBHHTXYHKRXLA-UHFFFAOYSA-N 1 2 298.346 0.523 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000796144196 581432556 /nfs/dbraw/zinc/43/25/56/581432556.db2.gz SLQFYNHSNQPBAQ-UHFFFAOYSA-N 1 2 258.325 0.259 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000796144196 581432558 /nfs/dbraw/zinc/43/25/58/581432558.db2.gz SLQFYNHSNQPBAQ-UHFFFAOYSA-N 1 2 258.325 0.259 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@@]2(CCCOC2)O1 ZINC000796609994 581446100 /nfs/dbraw/zinc/44/61/00/581446100.db2.gz DBROLZAOVFVCHT-TZMCWYRMSA-N 1 2 281.356 0.286 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@@]2(CCCOC2)O1 ZINC000796609994 581446102 /nfs/dbraw/zinc/44/61/02/581446102.db2.gz DBROLZAOVFVCHT-TZMCWYRMSA-N 1 2 281.356 0.286 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000786982759 581455526 /nfs/dbraw/zinc/45/55/26/581455526.db2.gz WQUDAWXWJMJMRR-OLZOCXBDSA-N 1 2 288.413 0.117 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000786982759 581455527 /nfs/dbraw/zinc/45/55/27/581455527.db2.gz WQUDAWXWJMJMRR-OLZOCXBDSA-N 1 2 288.413 0.117 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC2(C1)OCCO2 ZINC000787259875 581463027 /nfs/dbraw/zinc/46/30/27/581463027.db2.gz KNFCSJGYOWLIMK-LLVKDONJSA-N 1 2 279.340 0.386 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)OCCO2 ZINC000787259875 581463029 /nfs/dbraw/zinc/46/30/29/581463029.db2.gz KNFCSJGYOWLIMK-LLVKDONJSA-N 1 2 279.340 0.386 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000797442777 581466341 /nfs/dbraw/zinc/46/63/41/581466341.db2.gz IRJJDIKLUGFBSW-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000797442777 581466344 /nfs/dbraw/zinc/46/63/44/581466344.db2.gz IRJJDIKLUGFBSW-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000797526005 581467816 /nfs/dbraw/zinc/46/78/16/581467816.db2.gz HCNIXKVWSUIGHK-IPYPFGDCSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000797526005 581467817 /nfs/dbraw/zinc/46/78/17/581467817.db2.gz HCNIXKVWSUIGHK-IPYPFGDCSA-N 1 2 280.368 0.394 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000728857487 581509992 /nfs/dbraw/zinc/50/99/92/581509992.db2.gz RTXZLISWRAWHMF-OAHLLOKOSA-N 1 2 299.374 1.000 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000728857769 581510673 /nfs/dbraw/zinc/51/06/73/581510673.db2.gz XGWGCBMAJYKCHH-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)nc1 ZINC000733982679 581539839 /nfs/dbraw/zinc/53/98/39/581539839.db2.gz FKGPQKNUIOWVQF-UHFFFAOYSA-N 1 2 252.277 0.957 20 30 CCEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000753902690 581564401 /nfs/dbraw/zinc/56/44/01/581564401.db2.gz HDWYZYUGCCBLCA-LLVKDONJSA-N 1 2 297.318 0.734 20 30 CCEDLO C#CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000754080409 581574007 /nfs/dbraw/zinc/57/40/07/581574007.db2.gz UYWRDTHXAWJXDT-UHFFFAOYSA-N 1 2 288.347 0.851 20 30 CCEDLO C=C(C)CNC(=S)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000729942852 581625057 /nfs/dbraw/zinc/62/50/57/581625057.db2.gz MFUNWVWGPDMPSU-UHFFFAOYSA-N 1 2 293.440 0.988 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](CCC#N)CC(C)C ZINC000739915391 581634623 /nfs/dbraw/zinc/63/46/23/581634623.db2.gz OMUHMYUWTHIKAA-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](CCC#N)CC(C)C ZINC000739915391 581634627 /nfs/dbraw/zinc/63/46/27/581634627.db2.gz OMUHMYUWTHIKAA-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO Cc1ccn(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(=O)c1C#N ZINC000768898810 581661599 /nfs/dbraw/zinc/66/15/99/581661599.db2.gz GGYNDOZSKWBMJF-OAHLLOKOSA-N 1 2 289.335 0.477 20 30 CCEDLO Cc1ccn(C[N@H+]2CCO[C@]3(CCOC3)C2)c(=O)c1C#N ZINC000768898810 581661602 /nfs/dbraw/zinc/66/16/02/581661602.db2.gz GGYNDOZSKWBMJF-OAHLLOKOSA-N 1 2 289.335 0.477 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000756647748 581674001 /nfs/dbraw/zinc/67/40/01/581674001.db2.gz XXTZTQMDYDCDCV-NSHDSACASA-N 1 2 268.276 0.778 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCC(=O)OC ZINC000730285735 581692068 /nfs/dbraw/zinc/69/20/68/581692068.db2.gz GWWWDKQABMNRNB-NSHDSACASA-N 1 2 284.381 0.106 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCC(=O)OC ZINC000730285735 581692072 /nfs/dbraw/zinc/69/20/72/581692072.db2.gz GWWWDKQABMNRNB-NSHDSACASA-N 1 2 284.381 0.106 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)CC)CC1 ZINC000730294514 581693266 /nfs/dbraw/zinc/69/32/66/581693266.db2.gz ZRTIUJROCOKHOB-LBPRGKRZSA-N 1 2 295.408 0.075 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1=O ZINC000758239146 581731473 /nfs/dbraw/zinc/73/14/73/581731473.db2.gz CIELZDWCEYRDRW-CYBMUJFWSA-N 1 2 298.350 0.681 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1=O ZINC000758239146 581731476 /nfs/dbraw/zinc/73/14/76/581731476.db2.gz CIELZDWCEYRDRW-CYBMUJFWSA-N 1 2 298.350 0.681 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741287327 581744218 /nfs/dbraw/zinc/74/42/18/581744218.db2.gz HSELMUDRAWGSKM-KRWDZBQOSA-N 1 2 258.387 0.475 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000742075347 581767082 /nfs/dbraw/zinc/76/70/82/581767082.db2.gz WTBRYKVHXNRUGQ-UHFFFAOYSA-N 1 2 272.352 0.689 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000760177632 581848195 /nfs/dbraw/zinc/84/81/95/581848195.db2.gz KCYINVZXKMUGTP-XHSDSOJGSA-N 1 2 284.359 0.859 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000760177632 581848199 /nfs/dbraw/zinc/84/81/99/581848199.db2.gz KCYINVZXKMUGTP-XHSDSOJGSA-N 1 2 284.359 0.859 20 30 CCEDLO C#C[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)[C@@H]1CCCO1 ZINC000772258835 581849089 /nfs/dbraw/zinc/84/90/89/581849089.db2.gz SQMVRWHDKAQVBK-QWRGUYRKSA-N 1 2 261.329 0.839 20 30 CCEDLO C#C[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)[C@@H]1CCCO1 ZINC000772258835 581849090 /nfs/dbraw/zinc/84/90/90/581849090.db2.gz SQMVRWHDKAQVBK-QWRGUYRKSA-N 1 2 261.329 0.839 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773238698 581917086 /nfs/dbraw/zinc/91/70/86/581917086.db2.gz WOHSINNKMUTSKD-FRRDWIJNSA-N 1 2 276.340 0.752 20 30 CCEDLO C#C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773367052 581924300 /nfs/dbraw/zinc/92/43/00/581924300.db2.gz RQKZGAYSACFZHU-VXGBXAGGSA-N 1 2 262.313 0.363 20 30 CCEDLO C#CCCCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000773476270 581929389 /nfs/dbraw/zinc/92/93/89/581929389.db2.gz FSAIOSCBTLDFBH-UHFFFAOYSA-N 1 2 282.384 0.333 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000773821992 581942715 /nfs/dbraw/zinc/94/27/15/581942715.db2.gz DZMMLJVYVULIEO-AWEZNQCLSA-N 1 2 284.319 0.684 20 30 CCEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748459225 581976422 /nfs/dbraw/zinc/97/64/22/581976422.db2.gz OXMMPMIYMPPSBU-CYBMUJFWSA-N 1 2 298.383 0.675 20 30 CCEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748459225 581976424 /nfs/dbraw/zinc/97/64/24/581976424.db2.gz OXMMPMIYMPPSBU-CYBMUJFWSA-N 1 2 298.383 0.675 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1N ZINC000749223515 582000289 /nfs/dbraw/zinc/00/02/89/582000289.db2.gz ZPRCOMMJXGRAPD-MRVPVSSYSA-N 1 2 256.269 0.436 20 30 CCEDLO COCC#CCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000775681286 582033653 /nfs/dbraw/zinc/03/36/53/582033653.db2.gz BWBFIZCEFNTIRZ-UHFFFAOYSA-N 1 2 260.293 0.908 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCCO1 ZINC000775790239 582038031 /nfs/dbraw/zinc/03/80/31/582038031.db2.gz HILAGYDGWHYLBR-NWDGAFQWSA-N 1 2 272.308 0.293 20 30 CCEDLO C#C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000776235271 582063599 /nfs/dbraw/zinc/06/35/99/582063599.db2.gz QOHZQVLDQFVCGH-KBPBESRZSA-N 1 2 295.383 0.141 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000830891052 613235367 /nfs/dbraw/zinc/23/53/67/613235367.db2.gz BJHNXUZMHMNZJT-IUCAKERBSA-N 1 2 278.146 0.751 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000830891052 613235368 /nfs/dbraw/zinc/23/53/68/613235368.db2.gz BJHNXUZMHMNZJT-IUCAKERBSA-N 1 2 278.146 0.751 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000831852553 613000615 /nfs/dbraw/zinc/00/06/15/613000615.db2.gz DBBVIANJQLJKOH-MCIONIFRSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000883143416 612948255 /nfs/dbraw/zinc/94/82/55/612948255.db2.gz KDHBOTNYSZHTNL-SNVBAGLBSA-N 1 2 250.277 0.638 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812235 617179785 /nfs/dbraw/zinc/17/97/85/617179785.db2.gz TZUCSPKLTPCXAI-OLZOCXBDSA-N 1 2 265.401 0.786 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812235 617179786 /nfs/dbraw/zinc/17/97/86/617179786.db2.gz TZUCSPKLTPCXAI-OLZOCXBDSA-N 1 2 265.401 0.786 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000895386335 612952473 /nfs/dbraw/zinc/95/24/73/612952473.db2.gz YJDWJYWBFJPWBG-AWEZNQCLSA-N 1 2 290.367 0.417 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000863806340 613037041 /nfs/dbraw/zinc/03/70/41/613037041.db2.gz HMENDQYCMYMBOB-QJPTWQEYSA-N 1 2 261.325 0.678 20 30 CCEDLO C#CC[C@H](COC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869498310 613059433 /nfs/dbraw/zinc/05/94/33/613059433.db2.gz LFTMXGPBXPAHII-DIECRNLCSA-N 1 2 266.341 0.029 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000875929599 613061454 /nfs/dbraw/zinc/06/14/54/613061454.db2.gz SJCUBXSOHXBLNT-ZIAGYGMSSA-N 1 2 297.399 0.387 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925597718 613079373 /nfs/dbraw/zinc/07/93/73/613079373.db2.gz RJBLNICTQOEEAS-OLZOCXBDSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000972008687 613081115 /nfs/dbraw/zinc/08/11/15/613081115.db2.gz LCIJSFDHRAYZIX-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000972008687 613081117 /nfs/dbraw/zinc/08/11/17/613081117.db2.gz LCIJSFDHRAYZIX-OLZOCXBDSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981314278 612974343 /nfs/dbraw/zinc/97/43/43/612974343.db2.gz HVSKRHQXXAPXEB-UWVGGRQHSA-N 1 2 264.304 0.813 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886120632 614362390 /nfs/dbraw/zinc/36/23/90/614362390.db2.gz KENYYIXECICRFJ-ZDUSSCGKSA-N 1 2 279.384 0.984 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886120632 614362391 /nfs/dbraw/zinc/36/23/91/614362391.db2.gz KENYYIXECICRFJ-ZDUSSCGKSA-N 1 2 279.384 0.984 20 30 CCEDLO C#CCC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC000895252102 612968587 /nfs/dbraw/zinc/96/85/87/612968587.db2.gz VNRSKVUZHGCESJ-UHFFFAOYSA-N 1 2 261.325 0.962 20 30 CCEDLO C#CCCCCC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000877939919 612976796 /nfs/dbraw/zinc/97/67/96/612976796.db2.gz CEPQHBITKSLYRF-HNNXBMFYSA-N 1 2 298.452 0.985 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3ncccc23)C1 ZINC000950522325 612992897 /nfs/dbraw/zinc/99/28/97/612992897.db2.gz HFTIHUWADPZDGN-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000823238113 612994320 /nfs/dbraw/zinc/99/43/20/612994320.db2.gz JSEULDOGDOKQME-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877645056 613005654 /nfs/dbraw/zinc/00/56/54/613005654.db2.gz ZJTCXGQFGIGEEF-OAHLLOKOSA-N 1 2 274.364 0.807 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877645056 613005655 /nfs/dbraw/zinc/00/56/55/613005655.db2.gz ZJTCXGQFGIGEEF-OAHLLOKOSA-N 1 2 274.364 0.807 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(CC)c2CC)CC1 ZINC000950462095 613011196 /nfs/dbraw/zinc/01/11/96/613011196.db2.gz NEZDQIUPKIHDHF-UHFFFAOYSA-N 1 2 289.383 0.642 20 30 CCEDLO C#CC[C@@H](CCOC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000863538906 613018577 /nfs/dbraw/zinc/01/85/77/613018577.db2.gz SMAGQXIOSYNBBF-RYUDHWBXSA-N 1 2 290.323 0.301 20 30 CCEDLO C#CC[C@@H](CCOC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000863538906 613018579 /nfs/dbraw/zinc/01/85/79/613018579.db2.gz SMAGQXIOSYNBBF-RYUDHWBXSA-N 1 2 290.323 0.301 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913348224 613031321 /nfs/dbraw/zinc/03/13/21/613031321.db2.gz JKDUEEGXDRCDNI-UELRPHRMSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899151733 613037169 /nfs/dbraw/zinc/03/71/69/613037169.db2.gz DUCYNEHSBYTMSY-SMDDNHRTSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899151733 613037170 /nfs/dbraw/zinc/03/71/70/613037170.db2.gz DUCYNEHSBYTMSY-SMDDNHRTSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000971596584 613095126 /nfs/dbraw/zinc/09/51/26/613095126.db2.gz JWMIJSIDMDWUDA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000971596584 613095127 /nfs/dbraw/zinc/09/51/27/613095127.db2.gz JWMIJSIDMDWUDA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000864350283 613109433 /nfs/dbraw/zinc/10/94/33/613109433.db2.gz GENLLIYSUAAZCD-CYBMUJFWSA-N 1 2 270.288 0.469 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2Cc3ccc(O)cc3C2)C1=O ZINC000864350283 613109434 /nfs/dbraw/zinc/10/94/34/613109434.db2.gz GENLLIYSUAAZCD-CYBMUJFWSA-N 1 2 270.288 0.469 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C)n3)CC2)C1 ZINC000941310444 613115584 /nfs/dbraw/zinc/11/55/84/613115584.db2.gz KTGYGPLOEKVDCL-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC000941292746 613115674 /nfs/dbraw/zinc/11/56/74/613115674.db2.gz NDXWNRNJDUPTBD-JSGCOSHPSA-N 1 2 261.369 0.104 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC000941582777 613115701 /nfs/dbraw/zinc/11/57/01/613115701.db2.gz WWRLAQYOYBAZRB-CQSZACIVSA-N 1 2 273.380 0.248 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000970158208 613124733 /nfs/dbraw/zinc/12/47/33/613124733.db2.gz PLGNDHORELKEMJ-JTQLQIEISA-N 1 2 290.319 0.332 20 30 CCEDLO C#C[C@H](NC(=O)CNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000907488714 613133333 /nfs/dbraw/zinc/13/33/33/613133333.db2.gz SKMYZDFGRWLAFT-RYUDHWBXSA-N 1 2 259.309 0.791 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000969076678 613150494 /nfs/dbraw/zinc/15/04/94/613150494.db2.gz YGOKYMKVDGWKCA-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000969076678 613150496 /nfs/dbraw/zinc/15/04/96/613150496.db2.gz YGOKYMKVDGWKCA-NSHDSACASA-N 1 2 261.329 0.412 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC000981899758 613160496 /nfs/dbraw/zinc/16/04/96/613160496.db2.gz ITQHUXQPEBUSRD-UHFFFAOYSA-N 1 2 250.277 0.330 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC000981899758 613160498 /nfs/dbraw/zinc/16/04/98/613160498.db2.gz ITQHUXQPEBUSRD-UHFFFAOYSA-N 1 2 250.277 0.330 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)c2ccc[nH]2)C1 ZINC000902731482 613165039 /nfs/dbraw/zinc/16/50/39/613165039.db2.gz YQSALQQXFRSAMA-LLVKDONJSA-N 1 2 259.309 0.411 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)c2ccc[nH]2)C1 ZINC000902731482 613165041 /nfs/dbraw/zinc/16/50/41/613165041.db2.gz YQSALQQXFRSAMA-LLVKDONJSA-N 1 2 259.309 0.411 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000890365559 613171557 /nfs/dbraw/zinc/17/15/57/613171557.db2.gz VZBFFZVBORJPDE-ZYHUDNBSSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000890365559 613171559 /nfs/dbraw/zinc/17/15/59/613171559.db2.gz VZBFFZVBORJPDE-ZYHUDNBSSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000885509670 613175858 /nfs/dbraw/zinc/17/58/58/613175858.db2.gz WBVNSRJRPMOPMV-CYBMUJFWSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000885509670 613175859 /nfs/dbraw/zinc/17/58/59/613175859.db2.gz WBVNSRJRPMOPMV-CYBMUJFWSA-N 1 2 293.392 0.645 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000803514393 613176444 /nfs/dbraw/zinc/17/64/44/613176444.db2.gz DKPVBRLMNYMAPS-DZGCQCFKSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)co2)C1 ZINC000923566632 613190978 /nfs/dbraw/zinc/19/09/78/613190978.db2.gz RWZXUDFHUXMMQV-LBPRGKRZSA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)co2)C1 ZINC000923566632 613190981 /nfs/dbraw/zinc/19/09/81/613190981.db2.gz RWZXUDFHUXMMQV-LBPRGKRZSA-N 1 2 290.319 0.894 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCC#N)C1 ZINC000885511807 613192731 /nfs/dbraw/zinc/19/27/31/613192731.db2.gz MVUXNASPIOLNSO-LBPRGKRZSA-N 1 2 269.370 0.307 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCC#N)C1 ZINC000885511807 613192732 /nfs/dbraw/zinc/19/27/32/613192732.db2.gz MVUXNASPIOLNSO-LBPRGKRZSA-N 1 2 269.370 0.307 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000907419286 613197989 /nfs/dbraw/zinc/19/79/89/613197989.db2.gz ZTVHTNFPZZENQT-LBPRGKRZSA-N 1 2 264.350 0.650 20 30 CCEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000907419286 613197990 /nfs/dbraw/zinc/19/79/90/613197990.db2.gz ZTVHTNFPZZENQT-LBPRGKRZSA-N 1 2 264.350 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000819000441 613200075 /nfs/dbraw/zinc/20/00/75/613200075.db2.gz SYFOOVVNAINNPT-KCQAQPDRSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000819000441 613200077 /nfs/dbraw/zinc/20/00/77/613200077.db2.gz SYFOOVVNAINNPT-KCQAQPDRSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nn(C)cc1Cl ZINC000833817051 613200445 /nfs/dbraw/zinc/20/04/45/613200445.db2.gz CLDFGMKXIBNUJS-LBPRGKRZSA-N 1 2 280.759 0.787 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nn(C)cc1Cl ZINC000833817051 613200447 /nfs/dbraw/zinc/20/04/47/613200447.db2.gz CLDFGMKXIBNUJS-LBPRGKRZSA-N 1 2 280.759 0.787 20 30 CCEDLO C#CC[NH+]1CCN(CN2Cc3ccccc3C2=O)CC1 ZINC000902041785 613209376 /nfs/dbraw/zinc/20/93/76/613209376.db2.gz QEWCLIBEBFYXBT-UHFFFAOYSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[NH+]1CCN(c2nccc(C)c2-c2nn[nH]n2)CC1 ZINC000823850801 613209792 /nfs/dbraw/zinc/20/97/92/613209792.db2.gz UKHRANGNZHNIEE-UHFFFAOYSA-N 1 2 283.339 0.325 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972514565 613212559 /nfs/dbraw/zinc/21/25/59/613212559.db2.gz PPYIVWUQJWLPPH-OAHLLOKOSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972514565 613212561 /nfs/dbraw/zinc/21/25/61/613212561.db2.gz PPYIVWUQJWLPPH-OAHLLOKOSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3[nH]ccc3C)C2)C1 ZINC000972365387 613213165 /nfs/dbraw/zinc/21/31/65/613213165.db2.gz SLEFPYZUUWMHNX-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3[nH]ccc3C)C2)C1 ZINC000972365387 613213167 /nfs/dbraw/zinc/21/31/67/613213167.db2.gz SLEFPYZUUWMHNX-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO COc1ccnc(N=NCc2c[nH+]c(N(C)C)n2C)n1 ZINC000811638149 617326225 /nfs/dbraw/zinc/32/62/25/617326225.db2.gz ITVAVDSEKGDEOI-UHFFFAOYSA-N 1 2 275.316 0.731 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H](NCC#N)C1 ZINC000969069254 617327124 /nfs/dbraw/zinc/32/71/24/617327124.db2.gz QPQSNXSIRAIXEI-GFCCVEGCSA-N 1 2 274.324 0.347 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(OC)CC1 ZINC000846976518 613293713 /nfs/dbraw/zinc/29/37/13/613293713.db2.gz IVMDMPQGOXYKKA-CYBMUJFWSA-N 1 2 269.389 0.979 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000951763839 613295470 /nfs/dbraw/zinc/29/54/70/613295470.db2.gz NGDYEJFXXRLYQK-OLZOCXBDSA-N 1 2 293.411 0.997 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)cn2)C1 ZINC000951560541 613296116 /nfs/dbraw/zinc/29/61/16/613296116.db2.gz IJIQOAKMYFNWQF-UHFFFAOYSA-N 1 2 276.340 0.492 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000957363933 613320873 /nfs/dbraw/zinc/32/08/73/613320873.db2.gz VGAICXSDSBGBTK-UHFFFAOYSA-N 1 2 289.383 0.877 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000948788190 613321854 /nfs/dbraw/zinc/32/18/54/613321854.db2.gz BEMNXYHJCYCRBG-UHFFFAOYSA-N 1 2 286.339 0.687 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000962459579 613321865 /nfs/dbraw/zinc/32/18/65/613321865.db2.gz ZTNBKCVNFSFKPR-IMRBUKKESA-N 1 2 280.331 0.856 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000962459579 613321867 /nfs/dbraw/zinc/32/18/67/613321867.db2.gz ZTNBKCVNFSFKPR-IMRBUKKESA-N 1 2 280.331 0.856 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440271 613324996 /nfs/dbraw/zinc/32/49/96/613324996.db2.gz UMDRZPKBXARHFS-MNOVXSKESA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440271 613324998 /nfs/dbraw/zinc/32/49/98/613324998.db2.gz UMDRZPKBXARHFS-MNOVXSKESA-N 1 2 263.345 0.821 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830826044 613330542 /nfs/dbraw/zinc/33/05/42/613330542.db2.gz XCJKMPKBBVYFAO-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830826044 613330543 /nfs/dbraw/zinc/33/05/43/613330543.db2.gz XCJKMPKBBVYFAO-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875696828 613353273 /nfs/dbraw/zinc/35/32/73/613353273.db2.gz BQRJXCNRTCTYKM-LBPRGKRZSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875696828 613353274 /nfs/dbraw/zinc/35/32/74/613353274.db2.gz BQRJXCNRTCTYKM-LBPRGKRZSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC000969591094 613371638 /nfs/dbraw/zinc/37/16/38/613371638.db2.gz LHZOXABDVAJRIJ-PSASIEDQSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981523868 613373893 /nfs/dbraw/zinc/37/38/93/613373893.db2.gz YXCUZJYTCNJBAK-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000981523868 613373894 /nfs/dbraw/zinc/37/38/94/613373894.db2.gz YXCUZJYTCNJBAK-LBPRGKRZSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 ZINC000966382452 613375515 /nfs/dbraw/zinc/37/55/15/613375515.db2.gz DQTOBTFRMGDPMR-PWSUYJOCSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 ZINC000966382452 613375516 /nfs/dbraw/zinc/37/55/16/613375516.db2.gz DQTOBTFRMGDPMR-PWSUYJOCSA-N 1 2 297.790 0.857 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946449 613397325 /nfs/dbraw/zinc/39/73/25/613397325.db2.gz JYOMYQHKNZEYRJ-ZJUUUORDSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946449 613397327 /nfs/dbraw/zinc/39/73/27/613397327.db2.gz JYOMYQHKNZEYRJ-ZJUUUORDSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795794 613398935 /nfs/dbraw/zinc/39/89/35/613398935.db2.gz VKYQOUXDEWQEIW-ONGXEEELSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795794 613398940 /nfs/dbraw/zinc/39/89/40/613398940.db2.gz VKYQOUXDEWQEIW-ONGXEEELSA-N 1 2 293.323 0.795 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)CC2(C)C)C1 ZINC000975028805 613401680 /nfs/dbraw/zinc/40/16/80/613401680.db2.gz PCJMDCBJVWJCCV-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC)CC2(C)C)C1 ZINC000975028805 613401681 /nfs/dbraw/zinc/40/16/81/613401681.db2.gz PCJMDCBJVWJCCV-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC)C2)CC1 ZINC000970365719 613409566 /nfs/dbraw/zinc/40/95/66/613409566.db2.gz FSOVIKCIURLXSP-LBPRGKRZSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000878078445 613411733 /nfs/dbraw/zinc/41/17/33/613411733.db2.gz BTGWHIKHOHSDBN-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CC[C@H](CO)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907360609 613417222 /nfs/dbraw/zinc/41/72/22/613417222.db2.gz DALZRUYZPSTKPM-CNELAYHGSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000828984130 613455654 /nfs/dbraw/zinc/45/56/54/613455654.db2.gz VPZMEHSQUHSTRI-VIFPVBQESA-N 1 2 287.266 0.752 20 30 CCEDLO C=CCC1(O)CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000924432494 613459289 /nfs/dbraw/zinc/45/92/89/613459289.db2.gz KZBXAWSIBPYWFG-AWEZNQCLSA-N 1 2 295.427 0.552 20 30 CCEDLO C=CCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870066703 613464229 /nfs/dbraw/zinc/46/42/29/613464229.db2.gz GYCSQHXHDOMZEH-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCCC[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000928315734 613473460 /nfs/dbraw/zinc/47/34/60/613473460.db2.gz DEWFPEPQMWHSLM-NSHDSACASA-N 1 2 265.313 0.897 20 30 CCEDLO C=C[C@H](C)ONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000844285769 613487904 /nfs/dbraw/zinc/48/79/04/613487904.db2.gz ITWOLHCEEQCXPJ-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC000949852168 613563021 /nfs/dbraw/zinc/56/30/21/613563021.db2.gz DWEWXPZPFNOFBV-UHFFFAOYSA-N 1 2 287.363 0.800 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC000949586776 613566818 /nfs/dbraw/zinc/56/68/18/613566818.db2.gz PUXLTZAXHDFKOI-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000957375248 613568340 /nfs/dbraw/zinc/56/83/40/613568340.db2.gz JWXMVJOJMYEQIT-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941110797 613607156 /nfs/dbraw/zinc/60/71/56/613607156.db2.gz LCSXGHKHTXHCPB-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 ZINC000941110797 613607159 /nfs/dbraw/zinc/60/71/59/613607159.db2.gz LCSXGHKHTXHCPB-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO CC#CCNCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815440 613645000 /nfs/dbraw/zinc/64/50/00/613645000.db2.gz HUMMELKNCYHLOW-UHFFFAOYSA-N 1 2 256.313 0.417 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC000950807796 613653570 /nfs/dbraw/zinc/65/35/70/613653570.db2.gz FLADXXMRAUQZIN-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000951726612 613653836 /nfs/dbraw/zinc/65/38/36/613653836.db2.gz ZKBXKZLJMPQOBN-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC000948712667 613709054 /nfs/dbraw/zinc/70/90/54/613709054.db2.gz LXPNZMCNUOISTG-KBPBESRZSA-N 1 2 282.384 0.758 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC000957766003 613711665 /nfs/dbraw/zinc/71/16/65/613711665.db2.gz WYWXDBKHZCTAKY-GFCCVEGCSA-N 1 2 275.356 0.171 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC000948865411 613718184 /nfs/dbraw/zinc/71/81/84/613718184.db2.gz QLTXXEUYCQQNRM-UHFFFAOYSA-N 1 2 276.340 0.357 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)CCc2ccc(N)[nH+]c2)C1=O ZINC000798642206 613763913 /nfs/dbraw/zinc/76/39/13/613763913.db2.gz PAEWJPZWVSKQHR-GFCCVEGCSA-N 1 2 289.335 0.927 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931103024 613845848 /nfs/dbraw/zinc/84/58/48/613845848.db2.gz QAEDTFFDAYYIEX-UHFFFAOYSA-N 1 2 290.367 0.576 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931103024 613845850 /nfs/dbraw/zinc/84/58/50/613845850.db2.gz QAEDTFFDAYYIEX-UHFFFAOYSA-N 1 2 290.367 0.576 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395412 613851795 /nfs/dbraw/zinc/85/17/95/613851795.db2.gz JXPFYHYAJUDYOC-JTQLQIEISA-N 1 2 292.339 0.619 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395412 613851797 /nfs/dbraw/zinc/85/17/97/613851797.db2.gz JXPFYHYAJUDYOC-JTQLQIEISA-N 1 2 292.339 0.619 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C1CC1 ZINC000884102638 613878140 /nfs/dbraw/zinc/87/81/40/613878140.db2.gz IVUQTYOFHWPAAV-KOLCDFICSA-N 1 2 254.330 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1=CCSC1 ZINC000884419358 613877295 /nfs/dbraw/zinc/87/72/95/613877295.db2.gz PASOCXMDQXKPAY-NSHDSACASA-N 1 2 284.381 0.565 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000884461586 613877360 /nfs/dbraw/zinc/87/73/60/613877360.db2.gz ISTWRAMRPWHZIU-SRVKXCTJSA-N 1 2 279.340 0.584 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(O)c1 ZINC000884077744 613877418 /nfs/dbraw/zinc/87/74/18/613877418.db2.gz WSOVQOQLSXKOBX-ZDUSSCGKSA-N 1 2 292.335 0.797 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCSC1 ZINC000884238261 613877472 /nfs/dbraw/zinc/87/74/72/613877472.db2.gz XPMOEGGOGJZMID-UWVGGRQHSA-N 1 2 272.370 0.397 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000884415849 613877785 /nfs/dbraw/zinc/87/77/85/613877785.db2.gz JLWWGRNFYQGRGD-GXFFZTMASA-N 1 2 265.313 0.195 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)OC[C@H]1CC ZINC000884381566 613877931 /nfs/dbraw/zinc/87/79/31/613877931.db2.gz JSOISRLWGKIDTQ-UPJWGTAASA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC(C)(C)C ZINC000884067462 613878121 /nfs/dbraw/zinc/87/81/21/613878121.db2.gz IBOBVLLINWDJOW-JTQLQIEISA-N 1 2 256.346 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000884196597 613878243 /nfs/dbraw/zinc/87/82/43/613878243.db2.gz VUTRNXIGEHOHBR-NEPJUHHUSA-N 1 2 294.355 0.082 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]1C ZINC000884127665 613878480 /nfs/dbraw/zinc/87/84/80/613878480.db2.gz JUQPGKAUIBNOQV-OUAUKWLOSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1csc(C)n1 ZINC000884182234 613878570 /nfs/dbraw/zinc/87/85/70/613878570.db2.gz CJZWSMIUXSBELC-JTQLQIEISA-N 1 2 283.353 0.514 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOCC1 ZINC000884314913 613878627 /nfs/dbraw/zinc/87/86/27/613878627.db2.gz AIUSTNJMYXFOJQ-MNOVXSKESA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](COC)C(C)C ZINC000884151559 613878742 /nfs/dbraw/zinc/87/87/42/613878742.db2.gz PLHTWPPZEOAHJQ-WDEREUQCSA-N 1 2 272.345 0.220 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cn1 ZINC000884175742 613878908 /nfs/dbraw/zinc/87/89/08/613878908.db2.gz FNRTUGXIWBSBGY-JTQLQIEISA-N 1 2 263.297 0.775 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)n(C)n1 ZINC000884346920 613878958 /nfs/dbraw/zinc/87/89/58/613878958.db2.gz DWYRIZLBKDTGCJ-VIFPVBQESA-N 1 2 266.301 0.114 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935332680 613885368 /nfs/dbraw/zinc/88/53/68/613885368.db2.gz MDGOFMJPYHJAJZ-LBPRGKRZSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935332680 613885369 /nfs/dbraw/zinc/88/53/69/613885369.db2.gz MDGOFMJPYHJAJZ-LBPRGKRZSA-N 1 2 288.413 0.576 20 30 CCEDLO CCCCNC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801909726 614419954 /nfs/dbraw/zinc/41/99/54/614419954.db2.gz GFMRZUZNMGZZRQ-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO CCC(C#N)(CC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912611311 614470728 /nfs/dbraw/zinc/47/07/28/614470728.db2.gz BOZOBKCXGBSXRT-SNVBAGLBSA-N 1 2 264.329 0.900 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000956572470 614607977 /nfs/dbraw/zinc/60/79/77/614607977.db2.gz QBRCGPVFTHAZSO-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(CC#N)C1 ZINC000950658242 614634402 /nfs/dbraw/zinc/63/44/02/614634402.db2.gz GFMBXDRVRSQSSB-GFCCVEGCSA-N 1 2 287.367 0.502 20 30 CCEDLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121417992 614926846 /nfs/dbraw/zinc/92/68/46/614926846.db2.gz DQTRPDCEHMEFMO-SNVBAGLBSA-N 1 2 259.350 0.743 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cncc(C#N)c2)C1 ZINC000922492667 615172715 /nfs/dbraw/zinc/17/27/15/615172715.db2.gz BHYOAASIWWCCGW-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cncc(C#N)c2)C1 ZINC000922492667 615172716 /nfs/dbraw/zinc/17/27/16/615172716.db2.gz BHYOAASIWWCCGW-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccnc(C#N)c2)C1 ZINC000805476055 615173015 /nfs/dbraw/zinc/17/30/15/615173015.db2.gz HRKOSQBZEVCCQS-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccnc(C#N)c2)C1 ZINC000805476055 615173016 /nfs/dbraw/zinc/17/30/16/615173016.db2.gz HRKOSQBZEVCCQS-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CCOC1CC(CNC(=O)C=NOC)([NH+]2CCOCC2)C1 ZINC000809798909 615216267 /nfs/dbraw/zinc/21/62/67/615216267.db2.gz DGGYCNDYGFDWQF-UHFFFAOYSA-N 1 2 299.371 0.005 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)ccn1 ZINC000928652059 615479641 /nfs/dbraw/zinc/47/96/41/615479641.db2.gz VBISICINTPGNJO-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801921778 615540037 /nfs/dbraw/zinc/54/00/37/615540037.db2.gz LWCLPETXCLOFHA-MNOVXSKESA-N 1 2 262.375 0.670 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801921778 615540038 /nfs/dbraw/zinc/54/00/38/615540038.db2.gz LWCLPETXCLOFHA-MNOVXSKESA-N 1 2 262.375 0.670 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC000928645156 615714805 /nfs/dbraw/zinc/71/48/05/615714805.db2.gz CPYKGIVWQBPNKF-CYBMUJFWSA-N 1 2 250.342 0.627 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)CC#N ZINC000928646571 615718355 /nfs/dbraw/zinc/71/83/55/615718355.db2.gz CDYNQXDDESSYJC-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C(=O)C#CC1CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000840568077 615760222 /nfs/dbraw/zinc/76/02/22/615760222.db2.gz JOBKCDZWQSXCBO-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CCC[C@@H]1C#N ZINC000877197970 615937000 /nfs/dbraw/zinc/93/70/00/615937000.db2.gz ZSMRNMJRVISJLJ-SKDRFNHKSA-N 1 2 273.340 0.820 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652335 616040059 /nfs/dbraw/zinc/04/00/59/616040059.db2.gz OWPUOOHRPPOEKJ-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652335 616040060 /nfs/dbraw/zinc/04/00/60/616040060.db2.gz OWPUOOHRPPOEKJ-GFCCVEGCSA-N 1 2 261.329 0.399 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881303035 616108933 /nfs/dbraw/zinc/10/89/33/616108933.db2.gz QAKVGSHJXWETQC-UHFFFAOYSA-N 1 2 261.285 0.215 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881303035 616108934 /nfs/dbraw/zinc/10/89/34/616108934.db2.gz QAKVGSHJXWETQC-UHFFFAOYSA-N 1 2 261.285 0.215 20 30 CCEDLO CN1CC(=O)N(CCO[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000902693921 616161508 /nfs/dbraw/zinc/16/15/08/616161508.db2.gz SHSZLDUWHMSWBL-UHFFFAOYSA-N 1 2 294.286 0.357 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)C[C@@H]1CO ZINC000913555210 616223959 /nfs/dbraw/zinc/22/39/59/616223959.db2.gz WZFLYVVUYMKXJX-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)C[C@@H]1CO ZINC000913555210 616223960 /nfs/dbraw/zinc/22/39/60/616223960.db2.gz WZFLYVVUYMKXJX-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1CO ZINC000913542364 616229146 /nfs/dbraw/zinc/22/91/46/616229146.db2.gz INAQPWAZPNSJEA-IUODEOHRSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1CO ZINC000913542364 616229147 /nfs/dbraw/zinc/22/91/47/616229147.db2.gz INAQPWAZPNSJEA-IUODEOHRSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1CO ZINC000913542389 616229490 /nfs/dbraw/zinc/22/94/90/616229490.db2.gz JGFKDVNHWSPAQV-LLVKDONJSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1CO ZINC000913542389 616229491 /nfs/dbraw/zinc/22/94/91/616229491.db2.gz JGFKDVNHWSPAQV-LLVKDONJSA-N 1 2 277.299 0.446 20 30 CCEDLO CN1CCN(c2ncc(C=[NH+]NC34CC(C3)C4)cn2)CC1 ZINC000842546382 616247464 /nfs/dbraw/zinc/24/74/64/616247464.db2.gz RKOLOOIUWKTINE-UHFFFAOYSA-N 1 2 286.383 0.704 20 30 CCEDLO COCCCNC(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811632280 616905779 /nfs/dbraw/zinc/90/57/79/616905779.db2.gz IPXXDYCJAWQXSZ-UHFFFAOYSA-N 1 2 298.416 0.321 20 30 CCEDLO CON=CC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870154143 617104153 /nfs/dbraw/zinc/10/41/53/617104153.db2.gz ZFJFXQQKUMBASW-ZDUSSCGKSA-N 1 2 277.324 0.800 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925605245 625439664 /nfs/dbraw/zinc/43/96/64/625439664.db2.gz DNQKLUDQFBTPOP-UONOGXRCSA-N 1 2 295.383 0.141 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000310426886 625445532 /nfs/dbraw/zinc/44/55/32/625445532.db2.gz PFZJMWSPQSDFOJ-MNOVXSKESA-N 1 2 260.359 0.424 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000310426886 625445533 /nfs/dbraw/zinc/44/55/33/625445533.db2.gz PFZJMWSPQSDFOJ-MNOVXSKESA-N 1 2 260.359 0.424 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001024454591 623327780 /nfs/dbraw/zinc/32/77/80/623327780.db2.gz GCQUIDBNVMYJPW-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001024454591 623327787 /nfs/dbraw/zinc/32/77/87/623327787.db2.gz GCQUIDBNVMYJPW-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO O=C1[C@@H]2C[C@@H]2CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902610396 634411416 /nfs/dbraw/zinc/41/14/16/634411416.db2.gz XLOIZIIFPSXOTI-DGCLKSJQSA-N 1 2 276.336 0.760 20 30 CCEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)c(CO)c1 ZINC000891426554 624862176 /nfs/dbraw/zinc/86/21/76/624862176.db2.gz MEEVDPVQDFTXNM-UHFFFAOYSA-N 1 2 261.325 0.795 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000891554809 624884528 /nfs/dbraw/zinc/88/45/28/624884528.db2.gz BHHQXJNCZWBUCB-LBPRGKRZSA-N 1 2 263.301 0.207 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978356109 630803267 /nfs/dbraw/zinc/80/32/67/630803267.db2.gz CMPFILBKXMEXMK-XDQVBPFNSA-N 1 2 299.378 0.263 20 30 CCEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000968359920 650012301 /nfs/dbraw/zinc/01/23/01/650012301.db2.gz DNTLSLQZKHHTGB-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@@H]1CN(C(=O)CO[NH+]=C(N)Cc2ccccc2)CCO1 ZINC000108446940 631741570 /nfs/dbraw/zinc/74/15/70/631741570.db2.gz QLRNUELQMCSPLM-GFCCVEGCSA-N 1 2 291.351 0.765 20 30 CCEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000121319525 632511730 /nfs/dbraw/zinc/51/17/30/632511730.db2.gz VPPGMWCQOYIWLB-UHFFFAOYSA-N 1 2 262.269 0.168 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022495 650099791 /nfs/dbraw/zinc/09/97/91/650099791.db2.gz DKQAJORELLUUCJ-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022495 650099793 /nfs/dbraw/zinc/09/97/93/650099793.db2.gz DKQAJORELLUUCJ-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)[C@H]1C ZINC000987413952 632866812 /nfs/dbraw/zinc/86/68/12/632866812.db2.gz HJGUQZIIMXPIJN-GHMZBOCLSA-N 1 2 261.329 0.363 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008149646 650103069 /nfs/dbraw/zinc/10/30/69/650103069.db2.gz RVVXTNALPSZUOQ-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008149646 650103072 /nfs/dbraw/zinc/10/30/72/650103072.db2.gz RVVXTNALPSZUOQ-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001008483899 650115862 /nfs/dbraw/zinc/11/58/62/650115862.db2.gz CIGRDZFZQPNCSJ-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001008483899 650115864 /nfs/dbraw/zinc/11/58/64/650115864.db2.gz CIGRDZFZQPNCSJ-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO CC[C@H](C#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900472873 634023874 /nfs/dbraw/zinc/02/38/74/634023874.db2.gz YWKXVWFCHRKZDV-JATZPVMKSA-N 1 2 251.330 0.683 20 30 CCEDLO N#C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000900671608 634067977 /nfs/dbraw/zinc/06/79/77/634067977.db2.gz JLXCBUOLWKJGMF-GFCCVEGCSA-N 1 2 259.313 0.151 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377081 650211257 /nfs/dbraw/zinc/21/12/57/650211257.db2.gz AIYRFNYKINTYGR-VHSXEESVSA-N 1 2 271.748 0.208 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377081 650211259 /nfs/dbraw/zinc/21/12/59/650211259.db2.gz AIYRFNYKINTYGR-VHSXEESVSA-N 1 2 271.748 0.208 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010502893 650234255 /nfs/dbraw/zinc/23/42/55/650234255.db2.gz ZKGGWBZOMMRVRM-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010502893 650234258 /nfs/dbraw/zinc/23/42/58/650234258.db2.gz ZKGGWBZOMMRVRM-GHMZBOCLSA-N 1 2 285.775 0.456 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457116 650230779 /nfs/dbraw/zinc/23/07/79/650230779.db2.gz JRDKQFXODTUNFJ-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457116 650230783 /nfs/dbraw/zinc/23/07/83/650230783.db2.gz JRDKQFXODTUNFJ-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)N1CC#N ZINC000911710250 636345670 /nfs/dbraw/zinc/34/56/70/636345670.db2.gz DFHJRHWGZNDEFF-GHMZBOCLSA-N 1 2 261.329 0.397 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc(C)c1C#N ZINC000912751193 636669698 /nfs/dbraw/zinc/66/96/98/636669698.db2.gz ZNMDLCHXTOKNGT-AWEZNQCLSA-N 1 2 287.363 0.924 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc(C)c1C#N ZINC000912751193 636669701 /nfs/dbraw/zinc/66/97/01/636669701.db2.gz ZNMDLCHXTOKNGT-AWEZNQCLSA-N 1 2 287.363 0.924 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011062077 650283599 /nfs/dbraw/zinc/28/35/99/650283599.db2.gz PVCIDTVJFPNTCY-LLVKDONJSA-N 1 2 289.339 0.173 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3cccc(C#N)n3)CC[NH2+]2)cn1 ZINC000913461398 636814615 /nfs/dbraw/zinc/81/46/15/636814615.db2.gz WGQDATICVFTWMY-AWEZNQCLSA-N 1 2 296.334 0.473 20 30 CCEDLO C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525209 636834001 /nfs/dbraw/zinc/83/40/01/636834001.db2.gz NRLVGHIEVBABHN-SMDDNHRTSA-N 1 2 274.368 0.757 20 30 CCEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993747920 637841254 /nfs/dbraw/zinc/84/12/54/637841254.db2.gz OXASFCJONVOSPH-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993747920 637841257 /nfs/dbraw/zinc/84/12/57/637841257.db2.gz OXASFCJONVOSPH-DZGCQCFKSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000917223165 637960093 /nfs/dbraw/zinc/96/00/93/637960093.db2.gz BKEKATUQKFAIHH-KBPBESRZSA-N 1 2 293.415 0.567 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000938387404 638218314 /nfs/dbraw/zinc/21/83/14/638218314.db2.gz OWCPOURILWIOAI-KOLCDFICSA-N 1 2 289.339 0.137 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000995063697 638452088 /nfs/dbraw/zinc/45/20/88/638452088.db2.gz HFTCNNOVARPIQM-SECBINFHSA-N 1 2 297.318 0.663 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000182619673 638496217 /nfs/dbraw/zinc/49/62/17/638496217.db2.gz PPMLXFNPHIOZBR-UHFFFAOYSA-N 1 2 267.329 0.899 20 30 CCEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000182619673 638496225 /nfs/dbraw/zinc/49/62/25/638496225.db2.gz PPMLXFNPHIOZBR-UHFFFAOYSA-N 1 2 267.329 0.899 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000186009364 638794739 /nfs/dbraw/zinc/79/47/39/638794739.db2.gz WQHONBITYRIBQZ-QJPTWQEYSA-N 1 2 253.346 0.417 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014497866 650456751 /nfs/dbraw/zinc/45/67/51/650456751.db2.gz YDOBHJDDEIGCNN-LOWVWBTDSA-N 1 2 270.760 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014497866 650456752 /nfs/dbraw/zinc/45/67/52/650456752.db2.gz YDOBHJDDEIGCNN-LOWVWBTDSA-N 1 2 270.760 0.966 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998758160 638939624 /nfs/dbraw/zinc/93/96/24/638939624.db2.gz ZRFPFJLEWFFEJY-GHMZBOCLSA-N 1 2 291.355 0.872 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537363 638984668 /nfs/dbraw/zinc/98/46/68/638984668.db2.gz RQMXBQBRLZVLIC-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000431546 639086390 /nfs/dbraw/zinc/08/63/90/639086390.db2.gz ZPFFINKGRKQTRB-NEPJUHHUSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000431546 639086393 /nfs/dbraw/zinc/08/63/93/639086393.db2.gz ZPFFINKGRKQTRB-NEPJUHHUSA-N 1 2 275.356 0.692 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000862470 639179209 /nfs/dbraw/zinc/17/92/09/639179209.db2.gz ONZYBHMWAQWDEF-CQSZACIVSA-N 1 2 299.378 0.717 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003194682 639515913 /nfs/dbraw/zinc/51/59/13/639515913.db2.gz VKPFHATXVHJUTQ-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCN(CC#N)C1)C2 ZINC001015012705 650514935 /nfs/dbraw/zinc/51/49/35/650514935.db2.gz FHWMDOYEMGRUHW-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCN(CC#N)C1)CC2 ZINC001015012705 650514939 /nfs/dbraw/zinc/51/49/39/650514939.db2.gz FHWMDOYEMGRUHW-VXGBXAGGSA-N 1 2 287.367 0.537 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014791561 639951055 /nfs/dbraw/zinc/95/10/55/639951055.db2.gz DYFIQTXPVLXZSO-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014791561 639951064 /nfs/dbraw/zinc/95/10/64/639951064.db2.gz DYFIQTXPVLXZSO-SNVBAGLBSA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001014857156 640070860 /nfs/dbraw/zinc/07/08/60/640070860.db2.gz SNYCINPBTGTLQW-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001014857156 640070869 /nfs/dbraw/zinc/07/08/69/640070869.db2.gz SNYCINPBTGTLQW-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCNc1ccc(C#N)cn1 ZINC000806438103 640784008 /nfs/dbraw/zinc/78/40/08/640784008.db2.gz WVQUODSYLFPABK-UHFFFAOYSA-N 1 2 284.323 0.458 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015685887 650609150 /nfs/dbraw/zinc/60/91/50/650609150.db2.gz QJYKKKJRXRGUAL-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015685887 650609151 /nfs/dbraw/zinc/60/91/51/650609151.db2.gz QJYKKKJRXRGUAL-NEPJUHHUSA-N 1 2 299.802 0.988 20 30 CCEDLO Cn1c[nH+]cc1CNc1cccc(S(N)(=O)=O)c1C#N ZINC000811846028 640989733 /nfs/dbraw/zinc/98/97/33/640989733.db2.gz LCSYOKOQCSDQAE-UHFFFAOYSA-N 1 2 291.336 0.551 20 30 CCEDLO N#Cc1cccnc1N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816831260 641220286 /nfs/dbraw/zinc/22/02/86/641220286.db2.gz MFCMNFRQMJIMRI-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001016014437 650675918 /nfs/dbraw/zinc/67/59/18/650675918.db2.gz YIMMTISDSLTXJR-LBPRGKRZSA-N 1 2 291.326 0.867 20 30 CCEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001016014437 650675919 /nfs/dbraw/zinc/67/59/19/650675919.db2.gz YIMMTISDSLTXJR-LBPRGKRZSA-N 1 2 291.326 0.867 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1N ZINC000824816524 641846500 /nfs/dbraw/zinc/84/65/00/641846500.db2.gz BAAAEDARIRFMRE-NSHDSACASA-N 1 2 259.313 0.994 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1N ZINC000824816524 641846508 /nfs/dbraw/zinc/84/65/08/641846508.db2.gz BAAAEDARIRFMRE-NSHDSACASA-N 1 2 259.313 0.994 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC1 ZINC001017401404 650798886 /nfs/dbraw/zinc/79/88/86/650798886.db2.gz JMCLVSLBXKXYDU-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC1 ZINC001017401404 650798889 /nfs/dbraw/zinc/79/88/89/650798889.db2.gz JMCLVSLBXKXYDU-MCIONIFRSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1N ZINC001017425133 650801895 /nfs/dbraw/zinc/80/18/95/650801895.db2.gz MUQQZXPHPXIUAM-PHIMTYICSA-N 1 2 273.340 0.534 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1N ZINC001017425133 650801896 /nfs/dbraw/zinc/80/18/96/650801896.db2.gz MUQQZXPHPXIUAM-PHIMTYICSA-N 1 2 273.340 0.534 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1OCCCO1 ZINC001017505158 650807518 /nfs/dbraw/zinc/80/75/18/650807518.db2.gz WPBGOQYVVMZTJF-BETUJISGSA-N 1 2 278.352 0.448 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1OCCCO1 ZINC001017505158 650807520 /nfs/dbraw/zinc/80/75/20/650807520.db2.gz WPBGOQYVVMZTJF-BETUJISGSA-N 1 2 278.352 0.448 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)n1 ZINC001017534637 650809604 /nfs/dbraw/zinc/80/96/04/650809604.db2.gz LHNPLZSOKMAOGR-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)n1 ZINC001017534637 650809607 /nfs/dbraw/zinc/80/96/07/650809607.db2.gz LHNPLZSOKMAOGR-BETUJISGSA-N 1 2 287.367 0.610 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(N)=O ZINC001017638084 650815288 /nfs/dbraw/zinc/81/52/88/650815288.db2.gz OVIBKKCSADUXEV-TXEJJXNPSA-N 1 2 277.368 0.196 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(N)=O ZINC001017638084 650815289 /nfs/dbraw/zinc/81/52/89/650815289.db2.gz OVIBKKCSADUXEV-TXEJJXNPSA-N 1 2 277.368 0.196 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCN(C)C1=O ZINC001017642537 650815637 /nfs/dbraw/zinc/81/56/37/650815637.db2.gz XOFFEIGTMZWYGR-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCN(C)C1=O ZINC001017642537 650815639 /nfs/dbraw/zinc/81/56/39/650815639.db2.gz XOFFEIGTMZWYGR-MCIONIFRSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)n1C ZINC001017932235 650835040 /nfs/dbraw/zinc/83/50/40/650835040.db2.gz KGDSDZULUSRRAY-OKILXGFUSA-N 1 2 299.374 0.697 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)n1C ZINC001017932235 650835042 /nfs/dbraw/zinc/83/50/42/650835042.db2.gz KGDSDZULUSRRAY-OKILXGFUSA-N 1 2 299.374 0.697 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001017956145 650836994 /nfs/dbraw/zinc/83/69/94/650836994.db2.gz XANULJXYMVGNEZ-RQJABVFESA-N 1 2 289.379 0.196 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001017956145 650836995 /nfs/dbraw/zinc/83/69/95/650836995.db2.gz XANULJXYMVGNEZ-RQJABVFESA-N 1 2 289.379 0.196 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)nc1 ZINC001018337519 650854205 /nfs/dbraw/zinc/85/42/05/650854205.db2.gz KDSKUJVEPUJKQX-BETUJISGSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)nc1 ZINC001018337519 650854206 /nfs/dbraw/zinc/85/42/06/650854206.db2.gz KDSKUJVEPUJKQX-BETUJISGSA-N 1 2 298.346 0.103 20 30 CCEDLO N#CCCN(CCOC(F)F)CC[NH+]1CCOCC1 ZINC000851799527 643885153 /nfs/dbraw/zinc/88/51/53/643885153.db2.gz ZTSSSHMUEQBWMO-UHFFFAOYSA-N 1 2 277.315 0.773 20 30 CCEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000136073999 644321679 /nfs/dbraw/zinc/32/16/79/644321679.db2.gz GCWCJSQQMYCWBL-UHFFFAOYSA-N 1 2 251.286 0.605 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857945799 644581337 /nfs/dbraw/zinc/58/13/37/644581337.db2.gz QPCSQBUHPPABNT-UKRRQHHQSA-N 1 2 296.330 0.919 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016204 644753759 /nfs/dbraw/zinc/75/37/59/644753759.db2.gz GOILTDYLCXATNF-ZIAGYGMSSA-N 1 2 289.335 0.168 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016204 644753762 /nfs/dbraw/zinc/75/37/62/644753762.db2.gz GOILTDYLCXATNF-ZIAGYGMSSA-N 1 2 289.335 0.168 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1coc(C#N)c1)[NH+]1CCOCC1 ZINC000865179993 645334687 /nfs/dbraw/zinc/33/46/87/645334687.db2.gz HQBQACIPVODWOM-WDEREUQCSA-N 1 2 277.324 0.990 20 30 CCEDLO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866399387 645527647 /nfs/dbraw/zinc/52/76/47/645527647.db2.gz SULKUVYWBYRUHD-AAEUAGOBSA-N 1 2 275.352 0.981 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868715496 645807079 /nfs/dbraw/zinc/80/70/79/645807079.db2.gz PPVAFQLLOLZNLL-HNFMAKEJSA-N 1 2 266.341 0.335 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)[C@H](C)CO1 ZINC000869241195 645861582 /nfs/dbraw/zinc/86/15/82/645861582.db2.gz AQAFSFICYIHWPQ-UMVBOHGHSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C#N)CCCOC2)[C@H](C)CO1 ZINC000869241195 645861584 /nfs/dbraw/zinc/86/15/84/645861584.db2.gz AQAFSFICYIHWPQ-UMVBOHGHSA-N 1 2 295.383 0.532 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+](CCO)CCCO)c1 ZINC000876724505 646651032 /nfs/dbraw/zinc/65/10/32/646651032.db2.gz YSDMURYOWOLNHG-UHFFFAOYSA-N 1 2 269.732 0.783 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+](CCO)CCCO)c1 ZINC000876724505 646651037 /nfs/dbraw/zinc/65/10/37/646651037.db2.gz YSDMURYOWOLNHG-UHFFFAOYSA-N 1 2 269.732 0.783 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000877566871 646823805 /nfs/dbraw/zinc/82/38/05/646823805.db2.gz AROFCMLYGDFCAS-AOOOYVTPSA-N 1 2 290.710 0.311 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000877566871 646823807 /nfs/dbraw/zinc/82/38/07/646823807.db2.gz AROFCMLYGDFCAS-AOOOYVTPSA-N 1 2 290.710 0.311 20 30 CCEDLO Cn1nccc1[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000932271297 649063137 /nfs/dbraw/zinc/06/31/37/649063137.db2.gz ODMXSNQQJNBBNJ-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO Cn1nccc1[C@@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000932271297 649063139 /nfs/dbraw/zinc/06/31/39/649063139.db2.gz ODMXSNQQJNBBNJ-LBPRGKRZSA-N 1 2 261.329 0.587 20 30 CCEDLO N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179532 649790496 /nfs/dbraw/zinc/79/04/96/649790496.db2.gz OHLMNGZHPJBOJK-RISCZKNCSA-N 1 2 299.334 0.109 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cncnc2)C3)C1 ZINC001277447876 805585596 /nfs/dbraw/zinc/58/55/96/805585596.db2.gz DNIYUIPXOATLTD-AWEZNQCLSA-N 1 2 297.362 0.671 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526986 805610386 /nfs/dbraw/zinc/61/03/86/805610386.db2.gz LSZVIGPEKZOZQQ-CQSZACIVSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526986 805610392 /nfs/dbraw/zinc/61/03/92/805610392.db2.gz LSZVIGPEKZOZQQ-CQSZACIVSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230555988 805621703 /nfs/dbraw/zinc/62/17/03/805621703.db2.gz ARHLSXAIDYXLDP-DGCLKSJQSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230555988 805621712 /nfs/dbraw/zinc/62/17/12/805621712.db2.gz ARHLSXAIDYXLDP-DGCLKSJQSA-N 1 2 279.384 0.620 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NCCN(C)CC#N)ccn12 ZINC001266275068 790379738 /nfs/dbraw/zinc/37/97/38/790379738.db2.gz LSSVCPBPSSUCBE-UHFFFAOYSA-N 1 2 271.324 0.828 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](N)C(F)(F)F)CC1 ZINC000705232682 790378139 /nfs/dbraw/zinc/37/81/39/790378139.db2.gz RTODDXGKPMLXPH-QMMMGPOBSA-N 1 2 251.252 0.206 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001266287704 790415578 /nfs/dbraw/zinc/41/55/78/790415578.db2.gz CDYJWVVGXASRNC-ZNMIVQPWSA-N 1 2 290.411 0.680 20 30 CCEDLO C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001266294502 790444105 /nfs/dbraw/zinc/44/41/05/790444105.db2.gz AAKKVMAYCJCGRH-KBPBESRZSA-N 1 2 278.400 0.680 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001266308508 790482552 /nfs/dbraw/zinc/48/25/52/790482552.db2.gz XEQBBIGHYKMCAC-LBPRGKRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001266308508 790482554 /nfs/dbraw/zinc/48/25/54/790482554.db2.gz XEQBBIGHYKMCAC-LBPRGKRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001266313432 790489412 /nfs/dbraw/zinc/48/94/12/790489412.db2.gz ALCPNQOLVBIAAH-ZDUSSCGKSA-N 1 2 277.368 0.589 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001266313432 790489419 /nfs/dbraw/zinc/48/94/19/790489419.db2.gz ALCPNQOLVBIAAH-ZDUSSCGKSA-N 1 2 277.368 0.589 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)CC ZINC001266477078 790772265 /nfs/dbraw/zinc/77/22/65/790772265.db2.gz IQWAOJMWPXLHHK-RYUDHWBXSA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)CC ZINC001266477078 790772273 /nfs/dbraw/zinc/77/22/73/790772273.db2.gz IQWAOJMWPXLHHK-RYUDHWBXSA-N 1 2 283.347 0.065 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230788530 805665098 /nfs/dbraw/zinc/66/50/98/805665098.db2.gz QMRHBQRBTIXLLH-GFCCVEGCSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230788530 805665094 /nfs/dbraw/zinc/66/50/94/805665094.db2.gz QMRHBQRBTIXLLH-GFCCVEGCSA-N 1 2 267.373 0.477 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccn2ncc(C#N)c2n1 ZINC001230966976 805700433 /nfs/dbraw/zinc/70/04/33/805700433.db2.gz VYINICQIEZIRPU-LLVKDONJSA-N 1 2 287.323 0.700 20 30 CCEDLO CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231079381 805725575 /nfs/dbraw/zinc/72/55/75/805725575.db2.gz GUWUODUWXNZVBY-AWEZNQCLSA-N 1 2 282.384 0.596 20 30 CCEDLO CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231079381 805725578 /nfs/dbraw/zinc/72/55/78/805725578.db2.gz GUWUODUWXNZVBY-AWEZNQCLSA-N 1 2 282.384 0.596 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cccc(C(=O)OC)n2)CC1 ZINC001231427796 805801648 /nfs/dbraw/zinc/80/16/48/805801648.db2.gz RCYQIFHCRJNGRA-UHFFFAOYSA-N 1 2 273.336 0.619 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001277555287 805844025 /nfs/dbraw/zinc/84/40/25/805844025.db2.gz NIKUZWOOZKVXEF-JTQLQIEISA-N 1 2 271.386 0.421 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001277635793 805911825 /nfs/dbraw/zinc/91/18/25/805911825.db2.gz CFLAJUIGDJXOKR-ZDUSSCGKSA-N 1 2 284.400 0.739 20 30 CCEDLO C=CCCC[NH+]1CC(N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001277659384 805932743 /nfs/dbraw/zinc/93/27/43/805932743.db2.gz CQDGFRJPZKQRML-UHFFFAOYSA-N 1 2 277.372 0.846 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](CC)NC(C)=O)C1 ZINC001277665426 805939050 /nfs/dbraw/zinc/93/90/50/805939050.db2.gz ARSNQUZYLCPXHR-CYBMUJFWSA-N 1 2 265.357 0.067 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680217 805969784 /nfs/dbraw/zinc/96/97/84/805969784.db2.gz ZDFRBBSNGDERMG-UHFFFAOYSA-N 1 2 289.335 0.554 20 30 CCEDLO N#Cc1ccc(O)c(C[NH+]2CCN(C3COC3)CC2)c1 ZINC001232674317 805970194 /nfs/dbraw/zinc/97/01/94/805970194.db2.gz WDTMYOHTBJUTAK-UHFFFAOYSA-N 1 2 273.336 0.780 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001232888878 805991791 /nfs/dbraw/zinc/99/17/91/805991791.db2.gz SYRRWGCCYJDVSX-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001232888878 805991798 /nfs/dbraw/zinc/99/17/98/805991798.db2.gz SYRRWGCCYJDVSX-BXUZGUMPSA-N 1 2 264.300 0.872 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267027047 791460039 /nfs/dbraw/zinc/46/00/39/791460039.db2.gz RXKNXRIISUONOE-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539007 806076929 /nfs/dbraw/zinc/07/69/29/806076929.db2.gz NAWQQEDXWUEWNP-JXQTWKCFSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539007 806076936 /nfs/dbraw/zinc/07/69/36/806076936.db2.gz NAWQQEDXWUEWNP-JXQTWKCFSA-N 1 2 293.411 0.867 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549047 806079343 /nfs/dbraw/zinc/07/93/43/806079343.db2.gz JWAFFGNLCVYNFC-XEVNVYFWSA-N 1 2 277.368 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549047 806079352 /nfs/dbraw/zinc/07/93/52/806079352.db2.gz JWAFFGNLCVYNFC-XEVNVYFWSA-N 1 2 277.368 0.235 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1OCC[C@H]1CC ZINC001267200262 791663233 /nfs/dbraw/zinc/66/32/33/791663233.db2.gz IRXJIVYSZWULPT-OCCSQVGLSA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1OCC[C@H]1CC ZINC001267200262 791663239 /nfs/dbraw/zinc/66/32/39/791663239.db2.gz IRXJIVYSZWULPT-OCCSQVGLSA-N 1 2 297.399 0.152 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724647924 791689559 /nfs/dbraw/zinc/68/95/59/791689559.db2.gz VNUOEDRGBNIUPE-FRRDWIJNSA-N 1 2 254.330 0.652 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724647924 791689565 /nfs/dbraw/zinc/68/95/65/791689565.db2.gz VNUOEDRGBNIUPE-FRRDWIJNSA-N 1 2 254.330 0.652 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncccn1 ZINC001267223895 791700346 /nfs/dbraw/zinc/70/03/46/791700346.db2.gz TZNYTGLLNOAFDM-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncccn1 ZINC001267223895 791700356 /nfs/dbraw/zinc/70/03/56/791700356.db2.gz TZNYTGLLNOAFDM-UHFFFAOYSA-N 1 2 254.721 0.891 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(N)ncnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233631821 806096863 /nfs/dbraw/zinc/09/68/63/806096863.db2.gz UGXFRKALVICYBU-ZFGVLOSHSA-N 1 2 282.731 0.703 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(N)ncnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233631821 806096870 /nfs/dbraw/zinc/09/68/70/806096870.db2.gz UGXFRKALVICYBU-ZFGVLOSHSA-N 1 2 282.731 0.703 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234119416 806185089 /nfs/dbraw/zinc/18/50/89/806185089.db2.gz OZPHAQZXMVYOOP-ZDUSSCGKSA-N 1 2 279.384 0.267 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234119416 806185093 /nfs/dbraw/zinc/18/50/93/806185093.db2.gz OZPHAQZXMVYOOP-ZDUSSCGKSA-N 1 2 279.384 0.267 20 30 CCEDLO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177921 806195194 /nfs/dbraw/zinc/19/51/94/806195194.db2.gz GJUNRDDELWAORA-ZIAGYGMSSA-N 1 2 289.379 0.211 20 30 CCEDLO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)C#CC1CC1 ZINC001234177921 806195201 /nfs/dbraw/zinc/19/52/01/806195201.db2.gz GJUNRDDELWAORA-ZIAGYGMSSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234605045 806286142 /nfs/dbraw/zinc/28/61/42/806286142.db2.gz YVJHLHOCYGUIAQ-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234605045 806286147 /nfs/dbraw/zinc/28/61/47/806286147.db2.gz YVJHLHOCYGUIAQ-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001235682782 806490443 /nfs/dbraw/zinc/49/04/43/806490443.db2.gz BKKUVNHOXHQUNF-UHFFFAOYSA-N 1 2 281.360 0.254 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001235682782 806490446 /nfs/dbraw/zinc/49/04/46/806490446.db2.gz BKKUVNHOXHQUNF-UHFFFAOYSA-N 1 2 281.360 0.254 20 30 CCEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)cc1C#N ZINC001277982243 806588938 /nfs/dbraw/zinc/58/89/38/806588938.db2.gz VVJGKQAGTDCDRM-BETUJISGSA-N 1 2 287.367 0.031 20 30 CCEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1C#N ZINC001277982243 806588942 /nfs/dbraw/zinc/58/89/42/806588942.db2.gz VVJGKQAGTDCDRM-BETUJISGSA-N 1 2 287.367 0.031 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)cc1C#N ZINC001277982243 806588949 /nfs/dbraw/zinc/58/89/49/806588949.db2.gz VVJGKQAGTDCDRM-BETUJISGSA-N 1 2 287.367 0.031 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)cc1C#N ZINC001277982243 806588956 /nfs/dbraw/zinc/58/89/56/806588956.db2.gz VVJGKQAGTDCDRM-BETUJISGSA-N 1 2 287.367 0.031 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001121409489 799043528 /nfs/dbraw/zinc/04/35/28/799043528.db2.gz ZWEKVOHXVFAUOS-RYUDHWBXSA-N 1 2 279.388 0.955 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001121409489 799043535 /nfs/dbraw/zinc/04/35/35/799043535.db2.gz ZWEKVOHXVFAUOS-RYUDHWBXSA-N 1 2 279.388 0.955 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121749404 799068182 /nfs/dbraw/zinc/06/81/82/799068182.db2.gz OGNIHCLLIGDFTF-LBPRGKRZSA-N 1 2 294.355 0.267 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@](C)(O)CC)n2CC)CC1 ZINC001121820784 799073441 /nfs/dbraw/zinc/07/34/41/799073441.db2.gz SNSAECCUVNUPEW-HNNXBMFYSA-N 1 2 291.399 0.671 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122304398 799192117 /nfs/dbraw/zinc/19/21/17/799192117.db2.gz RKJMIRJPYPNINR-NSHDSACASA-N 1 2 278.356 0.886 20 30 CCEDLO C=C1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123695929 799456282 /nfs/dbraw/zinc/45/62/82/799456282.db2.gz XULJSAPSXMCPSH-KGLIPLIRSA-N 1 2 280.416 0.982 20 30 CCEDLO C=C1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123695929 799456286 /nfs/dbraw/zinc/45/62/86/799456286.db2.gz XULJSAPSXMCPSH-KGLIPLIRSA-N 1 2 280.416 0.982 20 30 CCEDLO C[C@@H]([NH2+]CCNC(=O)CSCC#N)c1csnn1 ZINC001123792022 799474926 /nfs/dbraw/zinc/47/49/26/799474926.db2.gz DZUBBUFFANQWEJ-MRVPVSSYSA-N 1 2 285.398 0.562 20 30 CCEDLO CSc1nc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1C#N ZINC001141931842 800048200 /nfs/dbraw/zinc/04/82/00/800048200.db2.gz NHXAQVIHQLKANM-DGCLKSJQSA-N 1 2 293.392 0.850 20 30 CCEDLO CSc1nc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1C#N ZINC001141931842 800048205 /nfs/dbraw/zinc/04/82/05/800048205.db2.gz NHXAQVIHQLKANM-DGCLKSJQSA-N 1 2 293.392 0.850 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(Cl)nc2NC)CC1 ZINC001142494678 800126455 /nfs/dbraw/zinc/12/64/55/800126455.db2.gz IQKHJWHZUVNRTD-UHFFFAOYSA-N 1 2 279.775 0.923 20 30 CCEDLO N#CC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001143172180 800204030 /nfs/dbraw/zinc/20/40/30/800204030.db2.gz SCVNQZLXVYEVFZ-UHFFFAOYSA-N 1 2 289.339 0.458 20 30 CCEDLO O=C(C#CC1CC1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001151970210 800475147 /nfs/dbraw/zinc/47/51/47/800475147.db2.gz OUMRVJNKQIHTKZ-ZDUSSCGKSA-N 1 2 276.336 0.296 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001153091508 800596026 /nfs/dbraw/zinc/59/60/26/800596026.db2.gz QVFXIGXYGNVBLM-UHFFFAOYSA-N 1 2 282.344 0.431 20 30 CCEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCS(C)(=O)=O ZINC001154042215 800710520 /nfs/dbraw/zinc/71/05/20/800710520.db2.gz LQJHJYRPGLDQLJ-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCS(C)(=O)=O ZINC001154042215 800710524 /nfs/dbraw/zinc/71/05/24/800710524.db2.gz LQJHJYRPGLDQLJ-GFCCVEGCSA-N 1 2 288.413 0.271 20 30 CCEDLO CCOC(=O)c1cc(C)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320980 801149945 /nfs/dbraw/zinc/14/99/45/801149945.db2.gz KKFOQJTVKMBALZ-NSHDSACASA-N 1 2 274.324 0.869 20 30 CCEDLO COC(=O)c1nc(N2CC[NH2+]C[C@@H]2C#N)ccc1Cl ZINC001156320192 801149961 /nfs/dbraw/zinc/14/99/61/801149961.db2.gz UAJHZOFTJAXBOF-QMMMGPOBSA-N 1 2 280.715 0.823 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001157168444 801317668 /nfs/dbraw/zinc/31/76/68/801317668.db2.gz OVZRUPOEMFAQQP-UHFFFAOYSA-N 1 2 295.339 0.862 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(Cl)cc(C#N)n2)C[NH2+]1 ZINC001158253808 801603596 /nfs/dbraw/zinc/60/35/96/801603596.db2.gz CZIRJUYXJWFNJU-ZJUUUORDSA-N 1 2 280.715 0.922 20 30 CCEDLO N#Cc1cc(Cl)nnc1Nc1nccnc1C[NH3+] ZINC001160246191 801923112 /nfs/dbraw/zinc/92/31/12/801923112.db2.gz ONUSMNJVUNVFAM-UHFFFAOYSA-N 1 2 261.676 0.994 20 30 CCEDLO CN1CCC(C#N)(Nc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001162226882 802293252 /nfs/dbraw/zinc/29/32/52/802293252.db2.gz BQPBNNPQAYBQQB-UHFFFAOYSA-N 1 2 258.329 0.480 20 30 CCEDLO COc1cc(C#N)cnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162680347 802386405 /nfs/dbraw/zinc/38/64/05/802386405.db2.gz JLOQGNWLJDMFHH-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)cnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162680347 802386414 /nfs/dbraw/zinc/38/64/14/802386414.db2.gz JLOQGNWLJDMFHH-LLVKDONJSA-N 1 2 262.313 0.704 20 30 CCEDLO C=CCS(=O)(=O)NCC1CC[NH+](C2COC2)CC1 ZINC001259936553 808810981 /nfs/dbraw/zinc/81/09/81/808810981.db2.gz CEEYKAWIIXGCSO-UHFFFAOYSA-N 1 2 274.386 0.203 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001263954207 809612562 /nfs/dbraw/zinc/61/25/62/809612562.db2.gz LMTAICWMIZGBGJ-VIFPVBQESA-N 1 2 250.302 0.902 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCc1[nH+]ccn1C ZINC001264366624 809644949 /nfs/dbraw/zinc/64/49/49/809644949.db2.gz INANUIPSDICOLJ-LBPRGKRZSA-N 1 2 275.356 0.409 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)cc2C)C[NH2+]1 ZINC001164305058 802714391 /nfs/dbraw/zinc/71/43/91/802714391.db2.gz OGMFFZYZGVUZPH-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(Cl)cnc2C#N)C[NH2+]1 ZINC001164305354 802715820 /nfs/dbraw/zinc/71/58/20/802715820.db2.gz VFRDECRZSIWIAU-WPRPVWTQSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)Cc1cc(Cl)nc(NOCC[NH3+])c1C#N ZINC001164408586 802736171 /nfs/dbraw/zinc/73/61/71/802736171.db2.gz QCHLVVBXRMZBEO-UHFFFAOYSA-N 1 2 284.703 0.624 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(N2CCCCC2)nn1 ZINC001164628188 802772758 /nfs/dbraw/zinc/77/27/58/802772758.db2.gz YBSLKJIYRPCNCU-GFCCVEGCSA-N 1 2 272.356 0.769 20 30 CCEDLO CC(C)(C)NC(=O)c1ccnc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164650809 802775572 /nfs/dbraw/zinc/77/55/72/802775572.db2.gz AZPAIOAEIHKNQE-GFCCVEGCSA-N 1 2 287.367 0.912 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(C(N)=O)CC3)c12 ZINC001166573097 802919105 /nfs/dbraw/zinc/91/91/05/802919105.db2.gz RKXOYEGMHYDBQO-UHFFFAOYSA-N 1 2 270.296 0.635 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)C1 ZINC001167007783 803010851 /nfs/dbraw/zinc/01/08/51/803010851.db2.gz PHBMLBMAGNXSTG-OLZOCXBDSA-N 1 2 299.378 0.780 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001167007783 803010856 /nfs/dbraw/zinc/01/08/56/803010856.db2.gz PHBMLBMAGNXSTG-OLZOCXBDSA-N 1 2 299.378 0.780 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)CC)C1 ZINC001276468912 803085613 /nfs/dbraw/zinc/08/56/13/803085613.db2.gz OOKBISZJUHTNJE-JTQLQIEISA-N 1 2 274.386 0.044 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206686976 803277981 /nfs/dbraw/zinc/27/79/81/803277981.db2.gz NTLRNPVIDYBGOR-YNEHKIRRSA-N 1 2 294.399 0.499 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206686976 803277986 /nfs/dbraw/zinc/27/79/86/803277986.db2.gz NTLRNPVIDYBGOR-YNEHKIRRSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207023081 803335514 /nfs/dbraw/zinc/33/55/14/803335514.db2.gz QEFQYRAHOWYBFA-HLTSFMKQSA-N 1 2 266.238 0.957 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207023081 803335519 /nfs/dbraw/zinc/33/55/19/803335519.db2.gz QEFQYRAHOWYBFA-HLTSFMKQSA-N 1 2 266.238 0.957 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1(C)CCC1 ZINC001208306721 803503806 /nfs/dbraw/zinc/50/38/06/803503806.db2.gz JEAKEXOLDFOGHN-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1(C)CCC1 ZINC001208306721 803503810 /nfs/dbraw/zinc/50/38/10/803503810.db2.gz JEAKEXOLDFOGHN-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001208360085 803508813 /nfs/dbraw/zinc/50/88/13/803508813.db2.gz FXDPLULMGZQRDJ-YRGRVCCFSA-N 1 2 297.374 0.166 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001208360085 803508818 /nfs/dbraw/zinc/50/88/18/803508818.db2.gz FXDPLULMGZQRDJ-YRGRVCCFSA-N 1 2 297.374 0.166 20 30 CCEDLO C=CCN(CC[NH+]1CC(N(C)C2COC2)C1)C(=O)OCC ZINC001209021723 803564648 /nfs/dbraw/zinc/56/46/48/803564648.db2.gz DIGNOGTXPRVCPA-UHFFFAOYSA-N 1 2 297.399 0.646 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001209446143 803604340 /nfs/dbraw/zinc/60/43/40/803604340.db2.gz AEAGJYDAHPMQGP-MWLCHTKSSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001209446143 803604341 /nfs/dbraw/zinc/60/43/41/803604341.db2.gz AEAGJYDAHPMQGP-MWLCHTKSSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213260447 803687826 /nfs/dbraw/zinc/68/78/26/803687826.db2.gz IPKAHWKTEYDWFE-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213260447 803687828 /nfs/dbraw/zinc/68/78/28/803687828.db2.gz IPKAHWKTEYDWFE-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC001088594640 814961711 /nfs/dbraw/zinc/96/17/11/814961711.db2.gz TWPWDIKHVGNRSH-MNOVXSKESA-N 1 2 283.763 0.610 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC001088594640 814961718 /nfs/dbraw/zinc/96/17/18/814961718.db2.gz TWPWDIKHVGNRSH-MNOVXSKESA-N 1 2 283.763 0.610 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCCCC)[C@H]2C1 ZINC001217469135 803892989 /nfs/dbraw/zinc/89/29/89/803892989.db2.gz KQQHHEAJQDKWMI-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCCCC)[C@H]2C1 ZINC001217469135 803892998 /nfs/dbraw/zinc/89/29/98/803892998.db2.gz KQQHHEAJQDKWMI-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO N#Cc1ccc2nc(=O)[nH]c(O[C@H]3CC[NH2+]C3)c2c1 ZINC001218181107 803936511 /nfs/dbraw/zinc/93/65/11/803936511.db2.gz HZDRCFJRCFDFHR-VIFPVBQESA-N 1 2 256.265 0.948 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OCC)[C@H]2C1 ZINC001218497661 803964289 /nfs/dbraw/zinc/96/42/89/803964289.db2.gz KEGBSXZNKUMQJC-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OCC)[C@H]2C1 ZINC001218497661 803964295 /nfs/dbraw/zinc/96/42/95/803964295.db2.gz KEGBSXZNKUMQJC-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001212034302 814981098 /nfs/dbraw/zinc/98/10/98/814981098.db2.gz UQGRZBHMSZVAGE-GKUNOOHESA-N 1 2 288.775 0.757 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001212034302 814981105 /nfs/dbraw/zinc/98/11/05/814981105.db2.gz UQGRZBHMSZVAGE-GKUNOOHESA-N 1 2 288.775 0.757 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218561175 804007033 /nfs/dbraw/zinc/00/70/33/804007033.db2.gz XWAZFIDHPVWIJX-JTQLQIEISA-N 1 2 292.339 0.944 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)sn1 ZINC001219381207 804292414 /nfs/dbraw/zinc/29/24/14/804292414.db2.gz KVJTUEXAHNCZOO-FXAINCCUSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C2)sn1 ZINC001219381207 804292421 /nfs/dbraw/zinc/29/24/21/804292421.db2.gz KVJTUEXAHNCZOO-FXAINCCUSA-N 1 2 294.380 0.273 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001083457451 815015866 /nfs/dbraw/zinc/01/58/66/815015866.db2.gz QFMRVPVIBWYBMX-MCIONIFRSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001083457451 815015872 /nfs/dbraw/zinc/01/58/72/815015872.db2.gz QFMRVPVIBWYBMX-MCIONIFRSA-N 1 2 276.380 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@@H](O)C1 ZINC001220175565 804527009 /nfs/dbraw/zinc/52/70/09/804527009.db2.gz AUHUUSKYKCQEOI-RDBSUJKOSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)OCC)[C@@H](O)C1 ZINC001220175565 804527014 /nfs/dbraw/zinc/52/70/14/804527014.db2.gz AUHUUSKYKCQEOI-RDBSUJKOSA-N 1 2 282.384 0.376 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221583927 804831045 /nfs/dbraw/zinc/83/10/45/804831045.db2.gz WJLCVPUSFHUTNE-VXGBXAGGSA-N 1 2 265.357 0.361 20 30 CCEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221583927 804831052 /nfs/dbraw/zinc/83/10/52/804831052.db2.gz WJLCVPUSFHUTNE-VXGBXAGGSA-N 1 2 265.357 0.361 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941010 805003955 /nfs/dbraw/zinc/00/39/55/805003955.db2.gz NNFFXBULYAQSIW-ZWNOBZJWSA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941010 805003964 /nfs/dbraw/zinc/00/39/64/805003964.db2.gz NNFFXBULYAQSIW-ZWNOBZJWSA-N 1 2 274.368 0.954 20 30 CCEDLO CC(C)C#CC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001277055712 805141695 /nfs/dbraw/zinc/14/16/95/805141695.db2.gz UDCXJDTVSCADGA-UHFFFAOYSA-N 1 2 272.352 0.874 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)nc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227270029 805339198 /nfs/dbraw/zinc/33/91/98/805339198.db2.gz AIFQIXDFEBTQTF-FRQULTQSSA-N 1 2 288.307 0.655 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)nc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227270029 805339203 /nfs/dbraw/zinc/33/92/03/805339203.db2.gz AIFQIXDFEBTQTF-FRQULTQSSA-N 1 2 288.307 0.655 20 30 CCEDLO Cc1nnc(=S)[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227597271 805369164 /nfs/dbraw/zinc/36/91/64/805369164.db2.gz APENYUXXHYGGSV-XNRKMWMOSA-N 1 2 280.353 0.460 20 30 CCEDLO Cc1nnc(=S)[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227597271 805369172 /nfs/dbraw/zinc/36/91/72/805369172.db2.gz APENYUXXHYGGSV-XNRKMWMOSA-N 1 2 280.353 0.460 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccnn43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228043867 805409101 /nfs/dbraw/zinc/40/91/01/805409101.db2.gz XPEKULNVTZIWHI-ADAFDVPTSA-N 1 2 273.296 0.116 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccnn43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228043867 805409106 /nfs/dbraw/zinc/40/91/06/805409106.db2.gz XPEKULNVTZIWHI-ADAFDVPTSA-N 1 2 273.296 0.116 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)C[C@@H]21 ZINC001277415869 805555176 /nfs/dbraw/zinc/55/51/76/805555176.db2.gz BSVHQMKLJZEGOC-HOTGVXAUSA-N 1 2 297.362 0.721 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)C[C@@H]21 ZINC001277415869 805555181 /nfs/dbraw/zinc/55/51/81/805555181.db2.gz BSVHQMKLJZEGOC-HOTGVXAUSA-N 1 2 297.362 0.721 20 30 CCEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247630880 807473997 /nfs/dbraw/zinc/47/39/97/807473997.db2.gz OLDVOORTYHEYHV-NSHDSACASA-N 1 2 286.291 0.960 20 30 CCEDLO C[S@](=O)CC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001249250666 807547649 /nfs/dbraw/zinc/54/76/49/807547649.db2.gz YLKKFTKTTYQYCC-LXGOIASLSA-N 1 2 291.336 0.772 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075960793 815128139 /nfs/dbraw/zinc/12/81/39/815128139.db2.gz CRJHGZSYFMVWPN-VNHYZAJKSA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1cncc(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251004492 807634969 /nfs/dbraw/zinc/63/49/69/807634969.db2.gz VNZQIDBDSUQQQB-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO N#Cc1ncc(NC[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC001251005647 807637499 /nfs/dbraw/zinc/63/74/99/807637499.db2.gz DEQJOZIZCMYLBK-LLVKDONJSA-N 1 2 296.758 0.712 20 30 CCEDLO Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251021828 807642856 /nfs/dbraw/zinc/64/28/56/807642856.db2.gz ADDRKEPIKBVUTE-AWEZNQCLSA-N 1 2 275.352 0.972 20 30 CCEDLO COc1ccc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251025916 807645640 /nfs/dbraw/zinc/64/56/40/807645640.db2.gz IZFYTQQCMMWUIF-CYBMUJFWSA-N 1 2 291.351 0.672 20 30 CCEDLO N#C[C@@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001251036194 807650700 /nfs/dbraw/zinc/65/07/00/807650700.db2.gz ARGZOYARUWPWOJ-LSDHHAIUSA-N 1 2 293.342 0.673 20 30 CCEDLO Cc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126828480 815141798 /nfs/dbraw/zinc/14/17/98/815141798.db2.gz WCAWSRYHQOZFPT-UHFFFAOYSA-N 1 2 250.302 0.243 20 30 CCEDLO C=CCOC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252455175 807871126 /nfs/dbraw/zinc/87/11/26/807871126.db2.gz XSOQQQBXFWCNQG-VIFPVBQESA-N 1 2 263.301 0.339 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)[C@@H](O)C1 ZINC001083498604 815167995 /nfs/dbraw/zinc/16/79/95/815167995.db2.gz JVFISNPNPKGYIG-BZPMIXESSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)[C@@H](O)C1 ZINC001083498604 815167997 /nfs/dbraw/zinc/16/79/97/815167997.db2.gz JVFISNPNPKGYIG-BZPMIXESSA-N 1 2 290.367 0.262 20 30 CCEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)C=C ZINC001253575990 808084137 /nfs/dbraw/zinc/08/41/37/808084137.db2.gz HXQYOZDSHJUQBH-OCCSQVGLSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)C=C ZINC001253575990 808084143 /nfs/dbraw/zinc/08/41/43/808084143.db2.gz HXQYOZDSHJUQBH-OCCSQVGLSA-N 1 2 292.383 0.947 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1cnsn1 ZINC001126880934 815179390 /nfs/dbraw/zinc/17/93/90/815179390.db2.gz HJYJGHGYZQGXEP-UHFFFAOYSA-N 1 2 250.327 0.157 20 30 CCEDLO C=CC[C@@H]([NH2+]C1CCN(CC(=O)OCC)CC1)C(=O)OC ZINC001254396171 808232128 /nfs/dbraw/zinc/23/21/28/808232128.db2.gz LRJYVTYUNOIDHO-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C=CC[C@@H](NC1CC[NH+](CC(=O)OCC)CC1)C(=O)OC ZINC001254396171 808232132 /nfs/dbraw/zinc/23/21/32/808232132.db2.gz LRJYVTYUNOIDHO-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C#N)C2)cn1 ZINC001254655139 808270034 /nfs/dbraw/zinc/27/00/34/808270034.db2.gz YZUJYGZXLGFQMM-MVWJERBFSA-N 1 2 262.313 0.791 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1C(C)=O ZINC001254676427 808273046 /nfs/dbraw/zinc/27/30/46/808273046.db2.gz LNQCEBHIWWJLRP-UPJWGTAASA-N 1 2 279.340 0.384 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1C(C)=O ZINC001254676427 808273052 /nfs/dbraw/zinc/27/30/52/808273052.db2.gz LNQCEBHIWWJLRP-UPJWGTAASA-N 1 2 279.340 0.384 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2Cc3ccccc3C2)C1 ZINC001278910575 808469877 /nfs/dbraw/zinc/46/98/77/808469877.db2.gz IFYCVKRIZWBFJU-UHFFFAOYSA-N 1 2 298.386 0.588 20 30 CCEDLO C=CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC001257228177 808600122 /nfs/dbraw/zinc/60/01/22/808600122.db2.gz GFSPQLRJWROZNI-NSHDSACASA-N 1 2 290.385 0.118 20 30 CCEDLO CCOC(=O)CCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258119435 808656445 /nfs/dbraw/zinc/65/64/45/808656445.db2.gz HJMGJLHMJHXGMS-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001259123359 808733333 /nfs/dbraw/zinc/73/33/33/808733333.db2.gz WNJAKTAQVIITPE-LBPRGKRZSA-N 1 2 277.349 0.637 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001259123359 808733337 /nfs/dbraw/zinc/73/33/37/808733337.db2.gz WNJAKTAQVIITPE-LBPRGKRZSA-N 1 2 277.349 0.637 20 30 CCEDLO C#CCn1cc(CNC(=O)CCc2c[nH+]cn2C)cn1 ZINC001261244592 808937456 /nfs/dbraw/zinc/93/74/56/808937456.db2.gz USAJOVBWPCEPTH-UHFFFAOYSA-N 1 2 271.324 0.499 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076229108 815262332 /nfs/dbraw/zinc/26/23/32/815262332.db2.gz XVOKGLFEEZWJHT-OUCADQQQSA-N 1 2 299.378 0.886 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001262947577 809423439 /nfs/dbraw/zinc/42/34/39/809423439.db2.gz OLYOMXWAVNQBSB-UONOGXRCSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001262947577 809423434 /nfs/dbraw/zinc/42/34/34/809423434.db2.gz OLYOMXWAVNQBSB-UONOGXRCSA-N 1 2 299.378 0.274 20 30 CCEDLO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168366613 815288749 /nfs/dbraw/zinc/28/87/49/815288749.db2.gz AVPJJFJJGXWKNT-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168366613 815288752 /nfs/dbraw/zinc/28/87/52/815288752.db2.gz AVPJJFJJGXWKNT-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)CCn1cc[nH+]c1 ZINC001263804647 809574395 /nfs/dbraw/zinc/57/43/95/809574395.db2.gz FGBLWUMHHOIDCZ-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001265279865 809743565 /nfs/dbraw/zinc/74/35/65/809743565.db2.gz YRQJLRNUUYHNDA-ZDUSSCGKSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001265279865 809743568 /nfs/dbraw/zinc/74/35/68/809743568.db2.gz YRQJLRNUUYHNDA-ZDUSSCGKSA-N 1 2 275.352 0.037 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCCCN1CC#N ZINC001265658321 809819958 /nfs/dbraw/zinc/81/99/58/809819958.db2.gz WRNASROVZPANOD-AWEZNQCLSA-N 1 2 289.383 0.847 20 30 CCEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCNC(=O)[C@H](C)C#N)[nH]1 ZINC001265814603 809862386 /nfs/dbraw/zinc/86/23/86/809862386.db2.gz BCXYLYWSLFXRQE-ZJUUUORDSA-N 1 2 278.360 0.772 20 30 CCEDLO Cc1nnc([C@H](C)[N@H+](C)CCCNC(=O)[C@H](C)C#N)[nH]1 ZINC001265814603 809862392 /nfs/dbraw/zinc/86/23/92/809862392.db2.gz BCXYLYWSLFXRQE-ZJUUUORDSA-N 1 2 278.360 0.772 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001266218943 809966372 /nfs/dbraw/zinc/96/63/72/809966372.db2.gz TXAHNDJNDPNPFP-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266218943 809966377 /nfs/dbraw/zinc/96/63/77/809966377.db2.gz TXAHNDJNDPNPFP-NEPJUHHUSA-N 1 2 265.357 0.100 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001280403039 810014491 /nfs/dbraw/zinc/01/44/91/810014491.db2.gz QRXAOBFPVQRXTI-CHWSQXEVSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001280403039 810014494 /nfs/dbraw/zinc/01/44/94/810014494.db2.gz QRXAOBFPVQRXTI-CHWSQXEVSA-N 1 2 293.371 0.232 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CCOCC1 ZINC001280399798 810015230 /nfs/dbraw/zinc/01/52/30/810015230.db2.gz RJCNVPMEUQWWNC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CCOCC1 ZINC001280399798 810015234 /nfs/dbraw/zinc/01/52/34/810015234.db2.gz RJCNVPMEUQWWNC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001280415778 810017827 /nfs/dbraw/zinc/01/78/27/810017827.db2.gz NVWSDTSNSGHZNJ-TZMCWYRMSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001280415778 810017822 /nfs/dbraw/zinc/01/78/22/810017822.db2.gz NVWSDTSNSGHZNJ-TZMCWYRMSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](O)C1 ZINC001083553918 815371139 /nfs/dbraw/zinc/37/11/39/815371139.db2.gz DBNHBQIYCGJQEQ-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](O)C1 ZINC001083553918 815371146 /nfs/dbraw/zinc/37/11/46/815371146.db2.gz DBNHBQIYCGJQEQ-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001076878051 815404339 /nfs/dbraw/zinc/40/43/39/815404339.db2.gz MZBFCOVMRXISCV-VXGBXAGGSA-N 1 2 266.316 0.579 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001076878051 815404342 /nfs/dbraw/zinc/40/43/42/815404342.db2.gz MZBFCOVMRXISCV-VXGBXAGGSA-N 1 2 266.316 0.579 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907422 815410091 /nfs/dbraw/zinc/41/00/91/815410091.db2.gz ODHWFCUAGWETQD-CYZMBNFOSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907422 815410092 /nfs/dbraw/zinc/41/00/92/815410092.db2.gz ODHWFCUAGWETQD-CYZMBNFOSA-N 1 2 294.330 0.409 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001077010546 815431989 /nfs/dbraw/zinc/43/19/89/815431989.db2.gz BNVOSDFEDIODBK-MGPQQGTHSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001077010546 815431993 /nfs/dbraw/zinc/43/19/93/815431993.db2.gz BNVOSDFEDIODBK-MGPQQGTHSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038292107 811242690 /nfs/dbraw/zinc/24/26/90/811242690.db2.gz FUJGGRWUIXSMLE-CYBMUJFWSA-N 1 2 283.331 0.619 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038292107 811242693 /nfs/dbraw/zinc/24/26/93/811242693.db2.gz FUJGGRWUIXSMLE-CYBMUJFWSA-N 1 2 283.331 0.619 20 30 CCEDLO Cc1nnc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776490 811322520 /nfs/dbraw/zinc/32/25/20/811322520.db2.gz PLLYZZDFOMCOJA-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001077054011 815440018 /nfs/dbraw/zinc/44/00/18/815440018.db2.gz IQVPGCHEUKTMBY-CHWSQXEVSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001077054011 815440022 /nfs/dbraw/zinc/44/00/22/815440022.db2.gz IQVPGCHEUKTMBY-CHWSQXEVSA-N 1 2 278.377 0.773 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038314672 811411477 /nfs/dbraw/zinc/41/14/77/811411477.db2.gz NMKBBYZYJDSSRJ-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038314672 811411482 /nfs/dbraw/zinc/41/14/82/811411482.db2.gz NMKBBYZYJDSSRJ-GFCCVEGCSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]cc3C)[C@H]2C1 ZINC001083274334 811428371 /nfs/dbraw/zinc/42/83/71/811428371.db2.gz HZDQQPIKHKUQRU-LSDHHAIUSA-N 1 2 287.363 0.872 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]cc3C)[C@H]2C1 ZINC001083274334 811428377 /nfs/dbraw/zinc/42/83/77/811428377.db2.gz HZDQQPIKHKUQRU-LSDHHAIUSA-N 1 2 287.363 0.872 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001077144795 815450241 /nfs/dbraw/zinc/45/02/41/815450241.db2.gz ZAPCNUJTDIBQBN-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001077144795 815450243 /nfs/dbraw/zinc/45/02/43/815450243.db2.gz ZAPCNUJTDIBQBN-ZIAGYGMSSA-N 1 2 273.336 0.052 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604362 811529448 /nfs/dbraw/zinc/52/94/48/811529448.db2.gz PNRIYTLFLIZWQP-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001267639219 811600927 /nfs/dbraw/zinc/60/09/27/811600927.db2.gz AFJPFLHUZXTLLS-MNOVXSKESA-N 1 2 256.346 0.149 20 30 CCEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001267645095 811610719 /nfs/dbraw/zinc/61/07/19/811610719.db2.gz LKNPJWHNXDXHRS-AWEZNQCLSA-N 1 2 262.353 0.769 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnc(C)n2C)C1 ZINC001267656785 811624199 /nfs/dbraw/zinc/62/41/99/811624199.db2.gz XIIYWOVFKHAPSS-UHFFFAOYSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCCCC(=O)NC)C1 ZINC001267671881 811635716 /nfs/dbraw/zinc/63/57/16/811635716.db2.gz JYZKTUUTWCACGJ-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001077210468 815462358 /nfs/dbraw/zinc/46/23/58/815462358.db2.gz BTWISWMIHOHUSX-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001077210468 815462360 /nfs/dbraw/zinc/46/23/60/815462360.db2.gz BTWISWMIHOHUSX-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001267731022 811699953 /nfs/dbraw/zinc/69/99/53/811699953.db2.gz KVILXEKQSWPEAM-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001267731022 811699960 /nfs/dbraw/zinc/69/99/60/811699960.db2.gz KVILXEKQSWPEAM-NWDGAFQWSA-N 1 2 290.367 0.007 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001267738045 811714741 /nfs/dbraw/zinc/71/47/41/811714741.db2.gz NQLOQVCIAOUCDN-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCCOC)C1 ZINC001267738045 811714746 /nfs/dbraw/zinc/71/47/46/811714746.db2.gz NQLOQVCIAOUCDN-LLVKDONJSA-N 1 2 276.764 0.592 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001267739084 811717989 /nfs/dbraw/zinc/71/79/89/811717989.db2.gz XHKDZPGKBVDYGU-MVXISAMASA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001267739084 811717997 /nfs/dbraw/zinc/71/79/97/811717997.db2.gz XHKDZPGKBVDYGU-MVXISAMASA-N 1 2 277.368 0.283 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001267741133 811724246 /nfs/dbraw/zinc/72/42/46/811724246.db2.gz KASCCEGTODMTOP-VXGBXAGGSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267741133 811724250 /nfs/dbraw/zinc/72/42/50/811724250.db2.gz KASCCEGTODMTOP-VXGBXAGGSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)CC)C2)nn1 ZINC001105227821 811867629 /nfs/dbraw/zinc/86/76/29/811867629.db2.gz ZUEQXAHEGJDJRH-GFCCVEGCSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001077349349 815484214 /nfs/dbraw/zinc/48/42/14/815484214.db2.gz XTJYHAYWQUITHQ-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001077349349 815484217 /nfs/dbraw/zinc/48/42/17/815484217.db2.gz XTJYHAYWQUITHQ-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001267962646 811897311 /nfs/dbraw/zinc/89/73/11/811897311.db2.gz SNDAWUABJXIHHA-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001267962646 811897319 /nfs/dbraw/zinc/89/73/19/811897319.db2.gz SNDAWUABJXIHHA-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)nn1 ZINC001105308348 811903292 /nfs/dbraw/zinc/90/32/92/811903292.db2.gz MOVGBCCPZAKOML-ITGUQSILSA-N 1 2 299.378 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001105333767 811940563 /nfs/dbraw/zinc/94/05/63/811940563.db2.gz OIAKTTKRJUGGQW-AWEZNQCLSA-N 1 2 299.378 0.574 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669393 815492415 /nfs/dbraw/zinc/49/24/15/815492415.db2.gz PIOQYHQEFLGOJJ-OAHLLOKOSA-N 1 2 299.378 0.434 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125987832 811969007 /nfs/dbraw/zinc/96/90/07/811969007.db2.gz FEXYFWGUEUTGFN-UHFFFAOYSA-N 1 2 288.311 0.351 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cn2nccc2C)C1 ZINC001268024931 811990775 /nfs/dbraw/zinc/99/07/75/811990775.db2.gz FBUDJTDKUFQCQZ-CYBMUJFWSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cn2nccc2C)C1 ZINC001268024931 811990780 /nfs/dbraw/zinc/99/07/80/811990780.db2.gz FBUDJTDKUFQCQZ-CYBMUJFWSA-N 1 2 278.356 0.195 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1 ZINC001083315086 812096598 /nfs/dbraw/zinc/09/65/98/812096598.db2.gz MUKQYEICMBDOCW-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1 ZINC001083315086 812096607 /nfs/dbraw/zinc/09/66/07/812096607.db2.gz MUKQYEICMBDOCW-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001027988220 812196945 /nfs/dbraw/zinc/19/69/45/812196945.db2.gz SHHYAUIGZWFCPP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001027988220 812196943 /nfs/dbraw/zinc/19/69/43/812196943.db2.gz SHHYAUIGZWFCPP-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001077424748 815509101 /nfs/dbraw/zinc/50/91/01/815509101.db2.gz JDRXMTRGXPPKLE-ZIAGYGMSSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001077424748 815509104 /nfs/dbraw/zinc/50/91/04/815509104.db2.gz JDRXMTRGXPPKLE-ZIAGYGMSSA-N 1 2 287.363 0.497 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028115878 812289557 /nfs/dbraw/zinc/28/95/57/812289557.db2.gz WYUKXGLBAMBDRJ-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028115878 812289563 /nfs/dbraw/zinc/28/95/63/812289563.db2.gz WYUKXGLBAMBDRJ-SNVBAGLBSA-N 1 2 264.329 0.506 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130748 812300575 /nfs/dbraw/zinc/30/05/75/812300575.db2.gz UZWZQXRQNMZWFT-NEPJUHHUSA-N 1 2 287.367 0.934 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001268278803 812442956 /nfs/dbraw/zinc/44/29/56/812442956.db2.gz BCMNVRBIIDBLTQ-HIFRSBDPSA-N 1 2 282.384 0.683 20 30 CCEDLO N#Cc1cccnc1N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058946559 812577279 /nfs/dbraw/zinc/57/72/79/812577279.db2.gz KZDYEDXHAAULTR-LBPRGKRZSA-N 1 2 296.334 0.932 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@H](C)n2cccn2)C1 ZINC001268467118 812615778 /nfs/dbraw/zinc/61/57/78/812615778.db2.gz AADLBBJLMZCFNW-ZDUSSCGKSA-N 1 2 292.383 0.837 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001028328454 812621464 /nfs/dbraw/zinc/62/14/64/812621464.db2.gz QQPXZDLHLIKMKK-STQMWFEESA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001028328454 812621466 /nfs/dbraw/zinc/62/14/66/812621466.db2.gz QQPXZDLHLIKMKK-STQMWFEESA-N 1 2 298.408 0.168 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001126364688 812675285 /nfs/dbraw/zinc/67/52/85/812675285.db2.gz AROLVXULNBXDJA-ZDUSSCGKSA-N 1 2 282.344 0.165 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001126384537 812847208 /nfs/dbraw/zinc/84/72/08/812847208.db2.gz OUCDBTYHDKLQSC-HZMBPMFUSA-N 1 2 296.371 0.726 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001083358037 812906987 /nfs/dbraw/zinc/90/69/87/812906987.db2.gz QZAJXIGSYNDZOE-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001083358037 812906992 /nfs/dbraw/zinc/90/69/92/812906992.db2.gz QZAJXIGSYNDZOE-BDAKNGLRSA-N 1 2 253.327 0.104 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268726360 813041821 /nfs/dbraw/zinc/04/18/21/813041821.db2.gz PONQMBZXLADJNJ-GHMZBOCLSA-N 1 2 263.345 0.516 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268726360 813041827 /nfs/dbraw/zinc/04/18/27/813041827.db2.gz PONQMBZXLADJNJ-GHMZBOCLSA-N 1 2 263.345 0.516 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCc1ccncc1 ZINC001268970147 813164503 /nfs/dbraw/zinc/16/45/03/813164503.db2.gz YIRNNZMHUYXDJN-KBMXLJTQSA-N 1 2 299.374 0.905 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCc1ccncc1 ZINC001268970147 813164506 /nfs/dbraw/zinc/16/45/06/813164506.db2.gz YIRNNZMHUYXDJN-KBMXLJTQSA-N 1 2 299.374 0.905 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001269199443 813260107 /nfs/dbraw/zinc/26/01/07/813260107.db2.gz FASUCMXWTMGXHW-CHWSQXEVSA-N 1 2 260.341 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001269199443 813260112 /nfs/dbraw/zinc/26/01/12/813260112.db2.gz FASUCMXWTMGXHW-CHWSQXEVSA-N 1 2 260.341 0.658 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001038403386 813345319 /nfs/dbraw/zinc/34/53/19/813345319.db2.gz IBYIXAIHCGQPOO-UONOGXRCSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001038403386 813345324 /nfs/dbraw/zinc/34/53/24/813345324.db2.gz IBYIXAIHCGQPOO-UONOGXRCSA-N 1 2 286.379 0.578 20 30 CCEDLO C#CCCCC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001269781012 813507304 /nfs/dbraw/zinc/50/73/04/813507304.db2.gz NUZDRBOZPXXYLZ-UHFFFAOYSA-N 1 2 274.368 0.866 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)COC(C)C)C1 ZINC001270629159 813853559 /nfs/dbraw/zinc/85/35/59/813853559.db2.gz MODVLJHZUSTGDL-LBPRGKRZSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)COC(C)C)C1 ZINC001270629159 813853564 /nfs/dbraw/zinc/85/35/64/813853564.db2.gz MODVLJHZUSTGDL-LBPRGKRZSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCCCC(N)=O)C1 ZINC001270693444 813895281 /nfs/dbraw/zinc/89/52/81/813895281.db2.gz ZLTNRRGOLBKCMU-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCCCC(N)=O)C1 ZINC001270693444 813895290 /nfs/dbraw/zinc/89/52/90/813895290.db2.gz ZLTNRRGOLBKCMU-GFCCVEGCSA-N 1 2 283.372 0.035 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001029245188 814013313 /nfs/dbraw/zinc/01/33/13/814013313.db2.gz QIKKEKBCDRRISK-UPJWGTAASA-N 1 2 287.367 0.755 20 30 CCEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001168041682 814296416 /nfs/dbraw/zinc/29/64/16/814296416.db2.gz ARAIWHAQZZBSBJ-SYQHCUMBSA-N 1 2 278.352 0.633 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029479905 814300784 /nfs/dbraw/zinc/30/07/84/814300784.db2.gz BDRYJWUWGTXDSL-XJFOESAGSA-N 1 2 299.378 0.722 20 30 CCEDLO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001271949272 814641125 /nfs/dbraw/zinc/64/11/25/814641125.db2.gz HZFHKOWPAYAZBC-OAHLLOKOSA-N 1 2 282.384 0.731 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001271949272 814641131 /nfs/dbraw/zinc/64/11/31/814641131.db2.gz HZFHKOWPAYAZBC-OAHLLOKOSA-N 1 2 282.384 0.731 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088414210 814678977 /nfs/dbraw/zinc/67/89/77/814678977.db2.gz ZPUZKZSOUMGXHM-ZDUSSCGKSA-N 1 2 289.383 0.847 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493384 814742356 /nfs/dbraw/zinc/74/23/56/814742356.db2.gz JGUGHYBYQAYFSG-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493384 814742359 /nfs/dbraw/zinc/74/23/59/814742359.db2.gz JGUGHYBYQAYFSG-RDBSUJKOSA-N 1 2 263.385 0.683 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H]1C ZINC001088543365 814864178 /nfs/dbraw/zinc/86/41/78/814864178.db2.gz ZEDTXOLPNYWUIZ-ZJUUUORDSA-N 1 2 299.758 0.923 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H]1C ZINC001088543365 814864181 /nfs/dbraw/zinc/86/41/81/814864181.db2.gz ZEDTXOLPNYWUIZ-ZJUUUORDSA-N 1 2 299.758 0.923 20 30 CCEDLO Cc1nc(NC[C@H](O)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001105826039 815893341 /nfs/dbraw/zinc/89/33/41/815893341.db2.gz WGMQEQIIWFBJCP-LBPRGKRZSA-N 1 2 290.367 0.724 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)cnn2CC)C1 ZINC001030368937 815998943 /nfs/dbraw/zinc/99/89/43/815998943.db2.gz JMBRHTXQCWPSCX-UHFFFAOYSA-N 1 2 280.759 0.994 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001030416852 816026168 /nfs/dbraw/zinc/02/61/68/816026168.db2.gz AFMYHFBYDZZBKS-UHFFFAOYSA-N 1 2 283.335 0.704 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OC)C1 ZINC001030428125 816033328 /nfs/dbraw/zinc/03/33/28/816033328.db2.gz OOTJGNLXYRHYEK-WCQYABFASA-N 1 2 268.357 0.414 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001030456842 816046272 /nfs/dbraw/zinc/04/62/72/816046272.db2.gz NSTMLYWXMRKDQI-HNNXBMFYSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001030554007 816105569 /nfs/dbraw/zinc/10/55/69/816105569.db2.gz HUJJKUWWCQKNHL-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001030567495 816112129 /nfs/dbraw/zinc/11/21/29/816112129.db2.gz NWPHRTVFUVOPKC-UHFFFAOYSA-N 1 2 296.330 0.773 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2COCCN2CC)C1 ZINC001030572874 816115499 /nfs/dbraw/zinc/11/54/99/816115499.db2.gz AKUABDFJKZHLEQ-ZDUSSCGKSA-N 1 2 267.373 0.084 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)nn1 ZINC001088907540 816169581 /nfs/dbraw/zinc/16/95/81/816169581.db2.gz YQPDZPQVSBZJGQ-MNOVXSKESA-N 1 2 281.335 0.626 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)nn1 ZINC001088907540 816169587 /nfs/dbraw/zinc/16/95/87/816169587.db2.gz YQPDZPQVSBZJGQ-MNOVXSKESA-N 1 2 281.335 0.626 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001030651045 816185065 /nfs/dbraw/zinc/18/50/65/816185065.db2.gz NSLOQMCZQNZKLF-UHFFFAOYSA-N 1 2 263.297 0.369 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001030767401 816277087 /nfs/dbraw/zinc/27/70/87/816277087.db2.gz GMYSQFRJCGPPNY-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001030832354 816327023 /nfs/dbraw/zinc/32/70/23/816327023.db2.gz CNYULJIYOXEMDB-ZDUSSCGKSA-N 1 2 288.351 0.699 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001030833955 816329635 /nfs/dbraw/zinc/32/96/35/816329635.db2.gz HAOAUSNFAUXTJT-ZDUSSCGKSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001031007917 816556192 /nfs/dbraw/zinc/55/61/92/816556192.db2.gz KHXCTMSZENFJJZ-UHFFFAOYSA-N 1 2 298.346 0.566 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001031071667 816624628 /nfs/dbraw/zinc/62/46/28/816624628.db2.gz YQEDECZSECIHGP-LBPRGKRZSA-N 1 2 293.371 0.303 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nncn3c2)C1 ZINC001031095376 816639702 /nfs/dbraw/zinc/63/97/02/816639702.db2.gz ICLBUDRQCDWAGU-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001031115764 816659555 /nfs/dbraw/zinc/65/95/55/816659555.db2.gz OOJRTOPWFVDJIR-JTQLQIEISA-N 1 2 274.368 0.954 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1cn(CC)nn1 ZINC001235682716 816900329 /nfs/dbraw/zinc/90/03/29/816900329.db2.gz ABZVDGWMOLKYSI-UHFFFAOYSA-N 1 2 295.387 0.439 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1cn(CC)nn1 ZINC001235682716 816900334 /nfs/dbraw/zinc/90/03/34/816900334.db2.gz ABZVDGWMOLKYSI-UHFFFAOYSA-N 1 2 295.387 0.439 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001031353655 816996252 /nfs/dbraw/zinc/99/62/52/816996252.db2.gz JNUFVUBBMPVUBA-UHFFFAOYSA-N 1 2 288.347 0.987 20 30 CCEDLO N#CCSCC(=O)NCC[NH2+]Cc1csnn1 ZINC001123791959 817067567 /nfs/dbraw/zinc/06/75/67/817067567.db2.gz AZMJUIYVAFDYPF-UHFFFAOYSA-N 1 2 271.371 0.001 20 30 CCEDLO N#Cc1ccccc1CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476220 817072329 /nfs/dbraw/zinc/07/23/29/817072329.db2.gz BJDJITZQCOTCGY-UHFFFAOYSA-N 1 2 295.346 0.755 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2c(OC)ncnc2OC)C1 ZINC001031481672 817077895 /nfs/dbraw/zinc/07/78/95/817077895.db2.gz JGSMQXPKTDCIQX-UHFFFAOYSA-N 1 2 292.339 0.484 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2OCC)C1 ZINC001031500726 817086807 /nfs/dbraw/zinc/08/68/07/817086807.db2.gz JEGSBWQIDAKRTE-UHFFFAOYSA-N 1 2 273.336 0.918 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031709213 817272226 /nfs/dbraw/zinc/27/22/26/817272226.db2.gz LKZRPUBULBKPAG-LLVKDONJSA-N 1 2 285.775 0.265 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124196705 817331930 /nfs/dbraw/zinc/33/19/30/817331930.db2.gz OTSWEFXSYUECJU-GFCCVEGCSA-N 1 2 294.355 0.219 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001031802485 817379315 /nfs/dbraw/zinc/37/93/15/817379315.db2.gz OMARWEACFXOYFX-JQWIXIFHSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001031822635 817396833 /nfs/dbraw/zinc/39/68/33/817396833.db2.gz UTPFQSIAQKSHOF-UHFFFAOYSA-N 1 2 295.342 0.823 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031950250 817488681 /nfs/dbraw/zinc/48/86/81/817488681.db2.gz ZCKUGYXTGIPNRQ-UHFFFAOYSA-N 1 2 284.747 0.540 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001032208415 817703345 /nfs/dbraw/zinc/70/33/45/817703345.db2.gz WRMVZHLCHFYRON-GFCCVEGCSA-N 1 2 299.802 0.655 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)C)nn2)C1 ZINC001107127160 817780883 /nfs/dbraw/zinc/78/08/83/817780883.db2.gz WYLNOKPBWOOANO-UHFFFAOYSA-N 1 2 263.345 0.593 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C(C)=C\C)nn2)C1 ZINC001107155569 817794314 /nfs/dbraw/zinc/79/43/14/817794314.db2.gz FAIFOYULYGVQMY-WZUFQYTHSA-N 1 2 275.356 0.903 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 ZINC001032340672 817914962 /nfs/dbraw/zinc/91/49/62/817914962.db2.gz CXWAGWOJXMQXJA-QWRGUYRKSA-N 1 2 261.329 0.208 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 ZINC001032340672 817914967 /nfs/dbraw/zinc/91/49/67/817914967.db2.gz CXWAGWOJXMQXJA-QWRGUYRKSA-N 1 2 261.329 0.208 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001107714787 817959924 /nfs/dbraw/zinc/95/99/24/817959924.db2.gz HKVMSOWETOZBJE-HNNXBMFYSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001107714787 817959927 /nfs/dbraw/zinc/95/99/27/817959927.db2.gz HKVMSOWETOZBJE-HNNXBMFYSA-N 1 2 291.351 0.327 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccn2C)C1 ZINC001107743557 817976045 /nfs/dbraw/zinc/97/60/45/817976045.db2.gz RXHYMEFAOUACDA-MRXNPFEDSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccn2C)C1 ZINC001107743557 817976052 /nfs/dbraw/zinc/97/60/52/817976052.db2.gz RXHYMEFAOUACDA-MRXNPFEDSA-N 1 2 289.379 0.869 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSCC#N)C1 ZINC001107752251 817983087 /nfs/dbraw/zinc/98/30/87/817983087.db2.gz QWTKYNHDNIPNGI-ZDUSSCGKSA-N 1 2 283.397 0.636 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CSCC#N)C1 ZINC001107752251 817983092 /nfs/dbraw/zinc/98/30/92/817983092.db2.gz QWTKYNHDNIPNGI-ZDUSSCGKSA-N 1 2 283.397 0.636 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777795 817998459 /nfs/dbraw/zinc/99/84/59/817998459.db2.gz WOWBXLFGUDBHEF-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777795 817998462 /nfs/dbraw/zinc/99/84/62/817998462.db2.gz WOWBXLFGUDBHEF-HNNXBMFYSA-N 1 2 290.367 0.562 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COCCC)C1 ZINC001107790551 818010879 /nfs/dbraw/zinc/01/08/79/818010879.db2.gz JBKXVWLOYYQWPU-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COCCC)C1 ZINC001107790551 818010893 /nfs/dbraw/zinc/01/08/93/818010893.db2.gz JBKXVWLOYYQWPU-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107806447 818019552 /nfs/dbraw/zinc/01/95/52/818019552.db2.gz FHQBRVYSHQKIJG-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001107806447 818019563 /nfs/dbraw/zinc/01/95/63/818019563.db2.gz FHQBRVYSHQKIJG-ZBFHGGJFSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107818704 818032233 /nfs/dbraw/zinc/03/22/33/818032233.db2.gz DRXGEIYMJRTWLA-AAEUAGOBSA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107818704 818032239 /nfs/dbraw/zinc/03/22/39/818032239.db2.gz DRXGEIYMJRTWLA-AAEUAGOBSA-N 1 2 251.330 0.539 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001078717775 818041019 /nfs/dbraw/zinc/04/10/19/818041019.db2.gz FWJQAQKFWAGWKV-QWRGUYRKSA-N 1 2 276.315 0.813 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 ZINC001078796133 818050030 /nfs/dbraw/zinc/05/00/30/818050030.db2.gz WWDRALQNLQVAAB-OLZOCXBDSA-N 1 2 287.367 0.801 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](O)C1 ZINC001083803504 818060011 /nfs/dbraw/zinc/06/00/11/818060011.db2.gz XOXQKGVVRDWJIZ-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](O)C1 ZINC001083803504 818060017 /nfs/dbraw/zinc/06/00/17/818060017.db2.gz XOXQKGVVRDWJIZ-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H](O)C1 ZINC001083803271 818060401 /nfs/dbraw/zinc/06/04/01/818060401.db2.gz LRFYBEKGRUJBGC-CVEARBPZSA-N 1 2 284.359 0.196 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H](O)C1 ZINC001083803271 818060406 /nfs/dbraw/zinc/06/04/06/818060406.db2.gz LRFYBEKGRUJBGC-CVEARBPZSA-N 1 2 284.359 0.196 20 30 CCEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001040540422 818083826 /nfs/dbraw/zinc/08/38/26/818083826.db2.gz FRAATGZTWDCFSM-KGYLQXTDSA-N 1 2 285.351 0.982 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973382 818087685 /nfs/dbraw/zinc/08/76/85/818087685.db2.gz MYZDVWMQSIRDGC-OLZOCXBDSA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001089973382 818087691 /nfs/dbraw/zinc/08/76/91/818087691.db2.gz MYZDVWMQSIRDGC-OLZOCXBDSA-N 1 2 295.770 0.999 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCN(CC#N)C1 ZINC001033207305 818651252 /nfs/dbraw/zinc/65/12/52/818651252.db2.gz KOWKHVULDKFJJX-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128602467 818732601 /nfs/dbraw/zinc/73/26/01/818732601.db2.gz JNBIIYCSZRJUGS-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128602467 818732604 /nfs/dbraw/zinc/73/26/04/818732604.db2.gz JNBIIYCSZRJUGS-UHFFFAOYSA-N 1 2 292.383 0.928 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033944102 819015154 /nfs/dbraw/zinc/01/51/54/819015154.db2.gz DJWXXYRBCXRYCF-GFCCVEGCSA-N 1 2 290.367 0.685 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033944102 819015161 /nfs/dbraw/zinc/01/51/61/819015161.db2.gz DJWXXYRBCXRYCF-GFCCVEGCSA-N 1 2 290.367 0.685 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCN(CC#N)C1 ZINC001034491639 819216413 /nfs/dbraw/zinc/21/64/13/819216413.db2.gz WWDSFANOOUJHCC-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250327 819310329 /nfs/dbraw/zinc/31/03/29/819310329.db2.gz YXLYSDKLDDFXSQ-ZJUUUORDSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250327 819310335 /nfs/dbraw/zinc/31/03/35/819310335.db2.gz YXLYSDKLDDFXSQ-ZJUUUORDSA-N 1 2 284.747 0.327 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034887061 819355666 /nfs/dbraw/zinc/35/56/66/819355666.db2.gz QHZJGVYEDXWLLN-MWLCHTKSSA-N 1 2 279.369 0.778 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035266677 819431709 /nfs/dbraw/zinc/43/17/09/819431709.db2.gz LHZJZYOQBSNTKN-CYBMUJFWSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035266677 819431712 /nfs/dbraw/zinc/43/17/12/819431712.db2.gz LHZJZYOQBSNTKN-CYBMUJFWSA-N 1 2 273.336 0.536 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035278163 819445861 /nfs/dbraw/zinc/44/58/61/819445861.db2.gz XJNCDABHHAYQNV-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035278163 819445866 /nfs/dbraw/zinc/44/58/66/819445866.db2.gz XJNCDABHHAYQNV-CHWSQXEVSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001035310422 819461239 /nfs/dbraw/zinc/46/12/39/819461239.db2.gz MPCDRTOVGUEBAU-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001035310422 819461242 /nfs/dbraw/zinc/46/12/42/819461242.db2.gz MPCDRTOVGUEBAU-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159748 819465425 /nfs/dbraw/zinc/46/54/25/819465425.db2.gz UNJFVZDIFDJWGN-AGIUHOORSA-N 1 2 293.346 0.247 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159748 819465430 /nfs/dbraw/zinc/46/54/30/819465430.db2.gz UNJFVZDIFDJWGN-AGIUHOORSA-N 1 2 293.346 0.247 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2nccn2CC)C1 ZINC001035347455 819486438 /nfs/dbraw/zinc/48/64/38/819486438.db2.gz TXDNXOGNWDPVRR-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2nccn2CC)C1 ZINC001035347455 819486443 /nfs/dbraw/zinc/48/64/43/819486443.db2.gz TXDNXOGNWDPVRR-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174521 819508556 /nfs/dbraw/zinc/50/85/56/819508556.db2.gz GIRRNRDHZNLLIS-TUAOUCFPSA-N 1 2 281.335 0.554 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129174521 819508562 /nfs/dbraw/zinc/50/85/62/819508562.db2.gz GIRRNRDHZNLLIS-TUAOUCFPSA-N 1 2 281.335 0.554 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379388 819509724 /nfs/dbraw/zinc/50/97/24/819509724.db2.gz PUTOLAGQFHKLNV-OBJOEFQTSA-N 1 2 266.341 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379388 819509729 /nfs/dbraw/zinc/50/97/29/819509729.db2.gz PUTOLAGQFHKLNV-OBJOEFQTSA-N 1 2 266.341 0.026 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001035408681 819515303 /nfs/dbraw/zinc/51/53/03/819515303.db2.gz SMKNJZBHTOTRND-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001035408681 819515306 /nfs/dbraw/zinc/51/53/06/819515306.db2.gz SMKNJZBHTOTRND-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431513 819522881 /nfs/dbraw/zinc/52/28/81/819522881.db2.gz IJXNHDCPAHYSAE-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431513 819522887 /nfs/dbraw/zinc/52/28/87/819522887.db2.gz IJXNHDCPAHYSAE-LBPRGKRZSA-N 1 2 276.340 0.402 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035485042 819532845 /nfs/dbraw/zinc/53/28/45/819532845.db2.gz MTDGYXFIWXBTHR-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001035485042 819532852 /nfs/dbraw/zinc/53/28/52/819532852.db2.gz MTDGYXFIWXBTHR-GFCCVEGCSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001035521223 819553239 /nfs/dbraw/zinc/55/32/39/819553239.db2.gz CCOGTASNBNANLT-GFCCVEGCSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001035521223 819553246 /nfs/dbraw/zinc/55/32/46/819553246.db2.gz CCOGTASNBNANLT-GFCCVEGCSA-N 1 2 290.367 0.904 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001035558867 819570621 /nfs/dbraw/zinc/57/06/21/819570621.db2.gz ROBHXSZFUCRXIU-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001035558867 819570625 /nfs/dbraw/zinc/57/06/25/819570625.db2.gz ROBHXSZFUCRXIU-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579513 819576653 /nfs/dbraw/zinc/57/66/53/819576653.db2.gz KCPXHJSQSIEKFG-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579513 819576660 /nfs/dbraw/zinc/57/66/60/819576660.db2.gz KCPXHJSQSIEKFG-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC=C)CCO2)nc1 ZINC001035583682 819578063 /nfs/dbraw/zinc/57/80/63/819578063.db2.gz PNBAOAMKTITXCL-AWEZNQCLSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC=C)CCO2)nc1 ZINC001035583682 819578065 /nfs/dbraw/zinc/57/80/65/819578065.db2.gz PNBAOAMKTITXCL-AWEZNQCLSA-N 1 2 285.347 0.680 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](n2ccnn2)C1 ZINC001129249388 819739539 /nfs/dbraw/zinc/73/95/39/819739539.db2.gz ZSDYJHLRVVXEDV-NEPJUHHUSA-N 1 2 291.330 0.003 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CC2)[C@@H](n2ccnn2)C1 ZINC001129249388 819739544 /nfs/dbraw/zinc/73/95/44/819739544.db2.gz ZSDYJHLRVVXEDV-NEPJUHHUSA-N 1 2 291.330 0.003 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H](O)C1 ZINC001083926144 820289389 /nfs/dbraw/zinc/28/93/89/820289389.db2.gz KPISOEXBTNOPNP-CABCVRRESA-N 1 2 287.363 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H](O)C1 ZINC001083926144 820289395 /nfs/dbraw/zinc/28/93/95/820289395.db2.gz KPISOEXBTNOPNP-CABCVRRESA-N 1 2 287.363 0.302 20 30 CCEDLO C=CCCC(=O)N(CC)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001079471384 820403760 /nfs/dbraw/zinc/40/37/60/820403760.db2.gz ZPASIZZFUBIQAT-UHFFFAOYSA-N 1 2 290.367 0.978 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001079644465 820442413 /nfs/dbraw/zinc/44/24/13/820442413.db2.gz YFQLGFWXAOYLOR-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001079644465 820442419 /nfs/dbraw/zinc/44/24/19/820442419.db2.gz YFQLGFWXAOYLOR-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079659791 820451751 /nfs/dbraw/zinc/45/17/51/820451751.db2.gz KUHKAHDTCSWQKP-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079659791 820451756 /nfs/dbraw/zinc/45/17/56/820451756.db2.gz KUHKAHDTCSWQKP-PSASIEDQSA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001080246874 820533338 /nfs/dbraw/zinc/53/33/38/820533338.db2.gz KUHKPUXOVNFUAW-GMSGAONNSA-N 1 2 283.763 0.916 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001080246874 820533343 /nfs/dbraw/zinc/53/33/43/820533343.db2.gz KUHKPUXOVNFUAW-GMSGAONNSA-N 1 2 283.763 0.916 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001081736511 820822599 /nfs/dbraw/zinc/82/25/99/820822599.db2.gz RBGDISGKLQGIJG-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001081736511 820822611 /nfs/dbraw/zinc/82/26/11/820822611.db2.gz RBGDISGKLQGIJG-ZIAGYGMSSA-N 1 2 288.351 0.156 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001082109759 820901933 /nfs/dbraw/zinc/90/19/33/820901933.db2.gz LZCCGDMONLWJRM-GHMZBOCLSA-N 1 2 281.743 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001082109759 820901941 /nfs/dbraw/zinc/90/19/41/820901941.db2.gz LZCCGDMONLWJRM-GHMZBOCLSA-N 1 2 281.743 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3C)[C@H]2C1 ZINC001083029350 821116527 /nfs/dbraw/zinc/11/65/27/821116527.db2.gz KRLAKRWMQFRBKA-QWHCGFSZSA-N 1 2 288.351 0.185 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3C)[C@H]2C1 ZINC001083029350 821116534 /nfs/dbraw/zinc/11/65/34/821116534.db2.gz KRLAKRWMQFRBKA-QWHCGFSZSA-N 1 2 288.351 0.185 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(C)c3)[C@H]2C1 ZINC001083034857 821120713 /nfs/dbraw/zinc/12/07/13/821120713.db2.gz VIMHGIIYYZITAO-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(C)c3)[C@H]2C1 ZINC001083034857 821120721 /nfs/dbraw/zinc/12/07/21/821120721.db2.gz VIMHGIIYYZITAO-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(C)c3)[C@H]2C1 ZINC001083062041 821131028 /nfs/dbraw/zinc/13/10/28/821131028.db2.gz YMFCOMACQLSYFV-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(C)c3)[C@H]2C1 ZINC001083062041 821131035 /nfs/dbraw/zinc/13/10/35/821131035.db2.gz YMFCOMACQLSYFV-UONOGXRCSA-N 1 2 274.320 0.746 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CCOC3)[C@H]2C1 ZINC001083174568 821156156 /nfs/dbraw/zinc/15/61/56/821156156.db2.gz ODVFAWDPPKCSRH-SCRDCRAPSA-N 1 2 284.331 0.213 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CCOC3)[C@H]2C1 ZINC001083174568 821156163 /nfs/dbraw/zinc/15/61/63/821156163.db2.gz ODVFAWDPPKCSRH-SCRDCRAPSA-N 1 2 284.331 0.213 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](O)C1 ZINC001083944946 821163165 /nfs/dbraw/zinc/16/31/65/821163165.db2.gz CQKIDRJUEBLOAK-KGLIPLIRSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](O)C1 ZINC001083944946 821163172 /nfs/dbraw/zinc/16/31/72/821163172.db2.gz CQKIDRJUEBLOAK-KGLIPLIRSA-N 1 2 290.367 0.262 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)[C@@H](O)C1 ZINC001084132684 821207027 /nfs/dbraw/zinc/20/70/27/821207027.db2.gz CIHZTCFNOVIIHB-CABCVRRESA-N 1 2 287.363 0.233 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)[C@@H](O)C1 ZINC001084132684 821207035 /nfs/dbraw/zinc/20/70/35/821207035.db2.gz CIHZTCFNOVIIHB-CABCVRRESA-N 1 2 287.363 0.233 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)nn1 ZINC001084709355 821357021 /nfs/dbraw/zinc/35/70/21/821357021.db2.gz XOSWVLYMYAWYEE-DGCLKSJQSA-N 1 2 293.346 0.580 20 30 CCEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)nn1 ZINC001084709355 821357029 /nfs/dbraw/zinc/35/70/29/821357029.db2.gz XOSWVLYMYAWYEE-DGCLKSJQSA-N 1 2 293.346 0.580 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3conc3COC)[C@@H]2C1 ZINC001084770267 821385225 /nfs/dbraw/zinc/38/52/25/821385225.db2.gz DMWAJVJMCCRVIP-BXUZGUMPSA-N 1 2 289.335 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3conc3COC)[C@@H]2C1 ZINC001084770267 821385233 /nfs/dbraw/zinc/38/52/33/821385233.db2.gz DMWAJVJMCCRVIP-BXUZGUMPSA-N 1 2 289.335 0.601 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@H](O)C(C)C ZINC000820365079 821441811 /nfs/dbraw/zinc/44/18/11/821441811.db2.gz NWSDNAYKCSZIME-MELADBBJSA-N 1 2 266.385 0.996 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@H](O)C(C)C ZINC000820365079 821441821 /nfs/dbraw/zinc/44/18/21/821441821.db2.gz NWSDNAYKCSZIME-MELADBBJSA-N 1 2 266.385 0.996 20 30 CCEDLO CCO[C@H](CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231025103 821474493 /nfs/dbraw/zinc/47/44/93/821474493.db2.gz HWFCKVKBSIGXNB-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO CCO[C@H](CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231025103 821474497 /nfs/dbraw/zinc/47/44/97/821474497.db2.gz HWFCKVKBSIGXNB-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231087767 821490006 /nfs/dbraw/zinc/49/00/06/821490006.db2.gz VMOQKKQORAYPAU-TZMCWYRMSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231087767 821490009 /nfs/dbraw/zinc/49/00/09/821490009.db2.gz VMOQKKQORAYPAU-TZMCWYRMSA-N 1 2 264.369 0.967 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000712277960 821490932 /nfs/dbraw/zinc/49/09/32/821490932.db2.gz WCUOGHDXTCYINI-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000712277960 821490936 /nfs/dbraw/zinc/49/09/36/821490936.db2.gz WCUOGHDXTCYINI-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000712277965 821491636 /nfs/dbraw/zinc/49/16/36/821491636.db2.gz WCUOGHDXTCYINI-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000712277965 821491638 /nfs/dbraw/zinc/49/16/38/821491638.db2.gz WCUOGHDXTCYINI-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)cc1CO ZINC000828812032 821834129 /nfs/dbraw/zinc/83/41/29/821834129.db2.gz LRDMZYWTEHJGHQ-UHFFFAOYSA-N 1 2 275.352 0.819 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085644044 821868073 /nfs/dbraw/zinc/86/80/73/821868073.db2.gz DSKGUOSHXGNAQO-LBPRGKRZSA-N 1 2 298.350 0.523 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085644044 821868083 /nfs/dbraw/zinc/86/80/83/821868083.db2.gz DSKGUOSHXGNAQO-LBPRGKRZSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694709 821908050 /nfs/dbraw/zinc/90/80/50/821908050.db2.gz NRODXXFWJYSJFE-GFCCVEGCSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694709 821908057 /nfs/dbraw/zinc/90/80/57/821908057.db2.gz NRODXXFWJYSJFE-GFCCVEGCSA-N 1 2 274.368 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085750940 821933224 /nfs/dbraw/zinc/93/32/24/821933224.db2.gz SQFGDVXWDRGEKF-CYBMUJFWSA-N 1 2 274.368 0.816 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085750940 821933229 /nfs/dbraw/zinc/93/32/29/821933229.db2.gz SQFGDVXWDRGEKF-CYBMUJFWSA-N 1 2 274.368 0.816 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001085812639 821964340 /nfs/dbraw/zinc/96/43/40/821964340.db2.gz IGUCRYOVMLUIJK-VXGBXAGGSA-N 1 2 287.367 0.886 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ccc(C)nc12 ZINC001085930636 822023278 /nfs/dbraw/zinc/02/32/78/822023278.db2.gz CAXAMBUJXJNSHW-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ccc(C)nc12 ZINC001085930636 822023287 /nfs/dbraw/zinc/02/32/87/822023287.db2.gz CAXAMBUJXJNSHW-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108225936 822033026 /nfs/dbraw/zinc/03/30/26/822033026.db2.gz DEFGEPJPJGJDCH-YCPHGPKFSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108225936 822033033 /nfs/dbraw/zinc/03/30/33/822033033.db2.gz DEFGEPJPJGJDCH-YCPHGPKFSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1noc2c1COCC2 ZINC001085980570 822050907 /nfs/dbraw/zinc/05/09/07/822050907.db2.gz SCQSYJSAKIMKTJ-LLVKDONJSA-N 1 2 289.335 0.527 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1noc2c1COCC2 ZINC001085980570 822050919 /nfs/dbraw/zinc/05/09/19/822050919.db2.gz SCQSYJSAKIMKTJ-LLVKDONJSA-N 1 2 289.335 0.527 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108315681 822356191 /nfs/dbraw/zinc/35/61/91/822356191.db2.gz YGAPTZFJBCZYKM-HOCLYGCPSA-N 1 2 296.411 0.889 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108315681 822356196 /nfs/dbraw/zinc/35/61/96/822356196.db2.gz YGAPTZFJBCZYKM-HOCLYGCPSA-N 1 2 296.411 0.889 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC001114025683 837408894 /nfs/dbraw/zinc/40/88/94/837408894.db2.gz OFMAAXUWTKOMFV-NHAGDIPZSA-N 1 2 289.383 0.811 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC001114025683 837408901 /nfs/dbraw/zinc/40/89/01/837408901.db2.gz OFMAAXUWTKOMFV-NHAGDIPZSA-N 1 2 289.383 0.811 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(C#N)cc1F ZINC001157772140 837422036 /nfs/dbraw/zinc/42/20/36/837422036.db2.gz CVAUHLNALLRHPQ-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(C#N)cc1F ZINC001157772140 837422042 /nfs/dbraw/zinc/42/20/42/837422042.db2.gz CVAUHLNALLRHPQ-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO N#Cc1ncn(CCNC(=O)c2cccc3[nH+]ccn32)n1 ZINC000804622928 837548813 /nfs/dbraw/zinc/54/88/13/837548813.db2.gz ONMOMNFPKMPBDA-UHFFFAOYSA-N 1 2 281.279 0.227 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337621 835974762 /nfs/dbraw/zinc/97/47/62/835974762.db2.gz IGXZGPKJKDIRKK-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C#N)c2C)C[NH2+]1 ZINC001169129115 836143398 /nfs/dbraw/zinc/14/33/98/836143398.db2.gz KOWJCUWOHNDKMX-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485878 836286660 /nfs/dbraw/zinc/28/66/60/836286660.db2.gz QPLCSPRILLYHSW-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C=C(/C)CC)CC2=O)C1 ZINC001108541906 836434660 /nfs/dbraw/zinc/43/46/60/836434660.db2.gz BRYXWKOIZGJIFA-FFXRNRBCSA-N 1 2 291.395 0.930 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](F)CC)CC2=O)C1 ZINC001108563579 836452848 /nfs/dbraw/zinc/45/28/48/836452848.db2.gz PYFJFFFCOYXVBA-WCQYABFASA-N 1 2 297.374 0.712 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](F)CC)CC2=O)C1 ZINC001108563578 836453034 /nfs/dbraw/zinc/45/30/34/836453034.db2.gz PYFJFFFCOYXVBA-DGCLKSJQSA-N 1 2 297.374 0.712 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108763301 836519972 /nfs/dbraw/zinc/51/99/72/836519972.db2.gz ZOJMAODLQZOERQ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108763301 836519979 /nfs/dbraw/zinc/51/99/79/836519979.db2.gz ZOJMAODLQZOERQ-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CC(C)=CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108897250 836568303 /nfs/dbraw/zinc/56/83/03/836568303.db2.gz NIVPAZHHCQPIHF-AGIUHOORSA-N 1 2 290.367 0.314 20 30 CCEDLO CC(C)=CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108897250 836568308 /nfs/dbraw/zinc/56/83/08/836568308.db2.gz NIVPAZHHCQPIHF-AGIUHOORSA-N 1 2 290.367 0.314 20 30 CCEDLO C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109015113 836598882 /nfs/dbraw/zinc/59/88/82/836598882.db2.gz VAWRWBYLPAGONY-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102189 836615190 /nfs/dbraw/zinc/61/51/90/836615190.db2.gz NEPJCMUDLAJGQX-RYUDHWBXSA-N 1 2 290.367 0.764 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261338 836649791 /nfs/dbraw/zinc/64/97/91/836649791.db2.gz ZFJUCUVZHREKMH-NDBYEHHHSA-N 1 2 291.395 0.631 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261338 836649796 /nfs/dbraw/zinc/64/97/96/836649796.db2.gz ZFJUCUVZHREKMH-NDBYEHHHSA-N 1 2 291.395 0.631 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnn2CC)CC1 ZINC001112787755 836912523 /nfs/dbraw/zinc/91/25/23/836912523.db2.gz FSKQHJGSVZUWLK-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112845991 836939024 /nfs/dbraw/zinc/93/90/24/836939024.db2.gz BTBSLHZSHLSINN-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)CC1 ZINC001112877688 836949331 /nfs/dbraw/zinc/94/93/31/836949331.db2.gz UDGVXNSPAMENRO-LBPRGKRZSA-N 1 2 291.351 0.728 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCCNC(N)=O)CC1 ZINC001113076969 837015664 /nfs/dbraw/zinc/01/56/64/837015664.db2.gz LFNOFLVVCSVLLA-UHFFFAOYSA-N 1 2 268.361 0.155 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1cnc(C#N)cn1 ZINC001113081295 837018860 /nfs/dbraw/zinc/01/88/60/837018860.db2.gz ASDFQKJITDOJNI-GHMZBOCLSA-N 1 2 299.338 0.550 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001113474311 837128222 /nfs/dbraw/zinc/12/82/22/837128222.db2.gz HXLKHCRBIQDQCR-UHFFFAOYSA-N 1 2 293.371 0.258 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)nn1 ZINC001113898395 837358220 /nfs/dbraw/zinc/35/82/20/837358220.db2.gz STESMJKIGLGAJO-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nonc1C ZINC001131867154 838253444 /nfs/dbraw/zinc/25/34/44/838253444.db2.gz KSVCKERMGXFHOV-AWEZNQCLSA-N 1 2 296.371 0.813 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131950278 838276315 /nfs/dbraw/zinc/27/63/15/838276315.db2.gz JXDLZYWDAFRCCA-CLFQDTNISA-N 1 2 292.383 0.561 20 30 CCEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131950278 838276322 /nfs/dbraw/zinc/27/63/22/838276322.db2.gz JXDLZYWDAFRCCA-CLFQDTNISA-N 1 2 292.383 0.561 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)CC[C@@H]1C ZINC001131955056 838276599 /nfs/dbraw/zinc/27/65/99/838276599.db2.gz HXPKKDRNRJLGSY-NWDGAFQWSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)CC[C@@H]1C ZINC001131955056 838276606 /nfs/dbraw/zinc/27/66/06/838276606.db2.gz HXPKKDRNRJLGSY-NWDGAFQWSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433782 838396369 /nfs/dbraw/zinc/39/63/69/838396369.db2.gz PXUPUJCUHMIFBI-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433782 838396372 /nfs/dbraw/zinc/39/63/72/838396372.db2.gz PXUPUJCUHMIFBI-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001132433779 838396820 /nfs/dbraw/zinc/39/68/20/838396820.db2.gz PXUPUJCUHMIFBI-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001132433779 838396830 /nfs/dbraw/zinc/39/68/30/838396830.db2.gz PXUPUJCUHMIFBI-CHWSQXEVSA-N 1 2 293.411 0.751 20 30 CCEDLO O=C(CCc1cnn[nH]1)NCC[NH2+]CC#Cc1ccccc1 ZINC001134014498 838826607 /nfs/dbraw/zinc/82/66/07/838826607.db2.gz VNEAGBMHGKFNPL-UHFFFAOYSA-N 1 2 297.362 0.495 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090660715 839710532 /nfs/dbraw/zinc/71/05/32/839710532.db2.gz UZXCVYJGSOXSKK-QWRGUYRKSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090660715 839710540 /nfs/dbraw/zinc/71/05/40/839710540.db2.gz UZXCVYJGSOXSKK-QWRGUYRKSA-N 1 2 296.758 0.394 20 30 CCEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC001186046946 844497134 /nfs/dbraw/zinc/49/71/34/844497134.db2.gz HZAOCEQQWQYHKO-JTQLQIEISA-N 1 2 275.308 0.572 20 30 CCEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC001186046946 844497136 /nfs/dbraw/zinc/49/71/36/844497136.db2.gz HZAOCEQQWQYHKO-JTQLQIEISA-N 1 2 275.308 0.572 20 30 CCEDLO C=CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001147256066 840531527 /nfs/dbraw/zinc/53/15/27/840531527.db2.gz JJAHUQUMNMRRAN-UHFFFAOYSA-N 1 2 291.351 0.912 20 30 CCEDLO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001147256066 840531532 /nfs/dbraw/zinc/53/15/32/840531532.db2.gz JJAHUQUMNMRRAN-UHFFFAOYSA-N 1 2 291.351 0.912 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C(=O)OC)o2)CC1 ZINC001147291203 840550845 /nfs/dbraw/zinc/55/08/45/840550845.db2.gz LYIFIVGFFOBIRX-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C(=O)OC)o2)CC1 ZINC001147291203 840550850 /nfs/dbraw/zinc/55/08/50/840550850.db2.gz LYIFIVGFFOBIRX-UHFFFAOYSA-N 1 2 290.319 0.847 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786395 841217466 /nfs/dbraw/zinc/21/74/66/841217466.db2.gz URLOMODFWLVMKU-KBPBESRZSA-N 1 2 287.367 0.720 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COC)CC2)C1 ZINC001093493860 841265561 /nfs/dbraw/zinc/26/55/61/841265561.db2.gz VGNWMAWWBBGBBY-UHFFFAOYSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCCC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093516949 841303960 /nfs/dbraw/zinc/30/39/60/841303960.db2.gz WVWODTLHXYWKFX-UHFFFAOYSA-N 1 2 278.360 0.740 20 30 CCEDLO C[C@H](C#N)C(=O)NCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001093529349 841311265 /nfs/dbraw/zinc/31/12/65/841311265.db2.gz VTLQFGYIQDVFBR-SNVBAGLBSA-N 1 2 288.355 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)NCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001093529349 841311275 /nfs/dbraw/zinc/31/12/75/841311275.db2.gz VTLQFGYIQDVFBR-SNVBAGLBSA-N 1 2 288.355 0.152 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccc(C#N)nc1 ZINC001093785514 841457559 /nfs/dbraw/zinc/45/75/59/841457559.db2.gz WOFYPGQJYDJGJT-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ccc(C#N)cn1 ZINC001094504025 841643411 /nfs/dbraw/zinc/64/34/11/841643411.db2.gz BTJXLXFPHKOTAO-UHFFFAOYSA-N 1 2 298.350 0.848 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3CCC3)CC2=O)C1 ZINC001094691519 841704371 /nfs/dbraw/zinc/70/43/71/841704371.db2.gz HKYCWBFOCVATPT-GFCCVEGCSA-N 1 2 277.368 0.374 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586505 842114445 /nfs/dbraw/zinc/11/44/45/842114445.db2.gz NGOSHIVTILAJIS-MCYUEQNJSA-N 1 2 294.351 0.963 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(=O)OC ZINC001173586505 842114449 /nfs/dbraw/zinc/11/44/49/842114449.db2.gz NGOSHIVTILAJIS-MCYUEQNJSA-N 1 2 294.351 0.963 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C#N ZINC001176354217 842363010 /nfs/dbraw/zinc/36/30/10/842363010.db2.gz LBXWQBVMZBKYCT-QWHCGFSZSA-N 1 2 289.339 0.362 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C#N ZINC001176354217 842363022 /nfs/dbraw/zinc/36/30/22/842363022.db2.gz LBXWQBVMZBKYCT-QWHCGFSZSA-N 1 2 289.339 0.362 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417875 842588179 /nfs/dbraw/zinc/58/81/79/842588179.db2.gz UYXZBMDSYYPFNC-SNVBAGLBSA-N 1 2 276.296 0.089 20 30 CCEDLO Cc1ccc(C(=NC(=O)CCc2[nH]cc[nH+]2)NO)nc1 ZINC001177997725 842720811 /nfs/dbraw/zinc/72/08/11/842720811.db2.gz FSIHCWHABRDDOM-UHFFFAOYSA-N 1 2 273.296 0.998 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCCCCNCC#N ZINC001180065063 843102808 /nfs/dbraw/zinc/10/28/08/843102808.db2.gz GNQVMZCOMXEPGS-UHFFFAOYSA-N 1 2 277.372 0.752 20 30 CCEDLO COc1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001180760507 843286332 /nfs/dbraw/zinc/28/63/32/843286332.db2.gz HDHFMLFRDBJHQI-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001180760507 843286342 /nfs/dbraw/zinc/28/63/42/843286342.db2.gz HDHFMLFRDBJHQI-CYBMUJFWSA-N 1 2 275.308 0.836 20 30 CCEDLO COc1ccc(C#CC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001182048548 843697960 /nfs/dbraw/zinc/69/79/60/843697960.db2.gz PFODJVJVKNGFGD-OAHLLOKOSA-N 1 2 288.347 0.494 20 30 CCEDLO COc1ccc(C#CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001182048548 843697963 /nfs/dbraw/zinc/69/79/63/843697963.db2.gz PFODJVJVKNGFGD-OAHLLOKOSA-N 1 2 288.347 0.494 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182504394 843847317 /nfs/dbraw/zinc/84/73/17/843847317.db2.gz BETSMEZUEQTXNI-GHMZBOCLSA-N 1 2 294.380 0.267 20 30 CCEDLO Cc1cc(N(C(N)=[NH2+])C(=O)COc2ccc(C#N)cc2)n[nH]1 ZINC001182920690 843935487 /nfs/dbraw/zinc/93/54/87/843935487.db2.gz FQTVLVILEUUIRO-UHFFFAOYSA-N 1 2 298.306 0.895 20 30 CCEDLO COCC#CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001187137030 844657326 /nfs/dbraw/zinc/65/73/26/844657326.db2.gz ZPBZBOCJZVQBGV-GFCCVEGCSA-N 1 2 259.309 0.426 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(Cc1ccncc1)C(=O)CO2 ZINC001273541689 844731989 /nfs/dbraw/zinc/73/19/89/844731989.db2.gz IBBCDGQXZGBJKT-UHFFFAOYSA-N 1 2 299.374 0.908 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccoc2)CC1 ZINC001188639891 844943464 /nfs/dbraw/zinc/94/34/64/844943464.db2.gz VIIPVCXQPAFZDO-UHFFFAOYSA-N 1 2 269.326 0.546 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189380942 845120176 /nfs/dbraw/zinc/12/01/76/845120176.db2.gz TUBPGPSMTZIYMH-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189380942 845120186 /nfs/dbraw/zinc/12/01/86/845120186.db2.gz TUBPGPSMTZIYMH-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001190095658 845321413 /nfs/dbraw/zinc/32/14/13/845321413.db2.gz VPPDSFYFVUUCDL-JSGCOSHPSA-N 1 2 291.351 0.746 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190095658 845321424 /nfs/dbraw/zinc/32/14/24/845321424.db2.gz VPPDSFYFVUUCDL-JSGCOSHPSA-N 1 2 291.351 0.746 20 30 CCEDLO C=CCC1(S(=O)(=O)NCc2c[nH+]cn2C)CC1 ZINC001190766630 845491889 /nfs/dbraw/zinc/49/18/89/845491889.db2.gz PRESQLVJCCHOOH-UHFFFAOYSA-N 1 2 255.343 0.948 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001191236666 845618494 /nfs/dbraw/zinc/61/84/94/845618494.db2.gz DLLCTBNLTWQJRR-BFHYXJOUSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001191236666 845618498 /nfs/dbraw/zinc/61/84/98/845618498.db2.gz DLLCTBNLTWQJRR-BFHYXJOUSA-N 1 2 266.385 0.997 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191686292 845718962 /nfs/dbraw/zinc/71/89/62/845718962.db2.gz FWHJSGGNAQGBOV-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191686292 845718964 /nfs/dbraw/zinc/71/89/64/845718964.db2.gz FWHJSGGNAQGBOV-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001191855352 845741971 /nfs/dbraw/zinc/74/19/71/845741971.db2.gz ZFWMAICUQJYCDF-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001191855352 845741975 /nfs/dbraw/zinc/74/19/75/845741975.db2.gz ZFWMAICUQJYCDF-ZLKJLUDKSA-N 1 2 291.326 0.647 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192524481 845861092 /nfs/dbraw/zinc/86/10/92/845861092.db2.gz JJGWPUBQVAGKBA-ONYUAGEFSA-N 1 2 270.760 0.704 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192524481 845861098 /nfs/dbraw/zinc/86/10/98/845861098.db2.gz JJGWPUBQVAGKBA-ONYUAGEFSA-N 1 2 270.760 0.704 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)COC)O2 ZINC001273644551 845892958 /nfs/dbraw/zinc/89/29/58/845892958.db2.gz BNPCNGGKCDEMBU-CYBMUJFWSA-N 1 2 298.383 0.185 20 30 CCEDLO C[NH+]1CCN(c2ccncc2NS(=O)(=O)CC#N)CC1 ZINC001192950804 845932605 /nfs/dbraw/zinc/93/26/05/845932605.db2.gz CQPHCUYPVPFYTM-UHFFFAOYSA-N 1 2 295.368 0.099 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001193195382 846014779 /nfs/dbraw/zinc/01/47/79/846014779.db2.gz ZZCMWDHRGVDUSN-QMMMGPOBSA-N 1 2 282.300 0.805 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001194137725 846231925 /nfs/dbraw/zinc/23/19/25/846231925.db2.gz YFHPCTNZDNBHLT-IJLUTSLNSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001194137725 846231937 /nfs/dbraw/zinc/23/19/37/846231937.db2.gz YFHPCTNZDNBHLT-IJLUTSLNSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629674 846332869 /nfs/dbraw/zinc/33/28/69/846332869.db2.gz QNOODAPQSMSNPC-LBPRGKRZSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629674 846332877 /nfs/dbraw/zinc/33/28/77/846332877.db2.gz QNOODAPQSMSNPC-LBPRGKRZSA-N 1 2 297.374 0.407 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cnccn2)CC1 ZINC001194682161 846357700 /nfs/dbraw/zinc/35/77/00/846357700.db2.gz ZCIQSLVYALRWNY-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cnccn2)CC1 ZINC001194682161 846357712 /nfs/dbraw/zinc/35/77/12/846357712.db2.gz ZCIQSLVYALRWNY-UHFFFAOYSA-N 1 2 288.351 0.274 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cn(-c3cnccn3)cn2)CC1 ZINC001194719227 846378102 /nfs/dbraw/zinc/37/81/02/846378102.db2.gz FHIURLNTQRYCEU-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC001194918850 846417910 /nfs/dbraw/zinc/41/79/10/846417910.db2.gz CQANRKRDBFEIMS-LLVKDONJSA-N 1 2 298.412 0.041 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC001194918850 846417916 /nfs/dbraw/zinc/41/79/16/846417916.db2.gz CQANRKRDBFEIMS-LLVKDONJSA-N 1 2 298.412 0.041 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)OC)CC1 ZINC001195045134 846444708 /nfs/dbraw/zinc/44/47/08/846444708.db2.gz VMPWAQYGDHBPLM-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)OC)CC1 ZINC001195045134 846444715 /nfs/dbraw/zinc/44/47/15/846444715.db2.gz VMPWAQYGDHBPLM-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195322106 846492673 /nfs/dbraw/zinc/49/26/73/846492673.db2.gz UAXYHNFELAELPY-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC001195322106 846492676 /nfs/dbraw/zinc/49/26/76/846492676.db2.gz UAXYHNFELAELPY-GFCCVEGCSA-N 1 2 280.372 0.159 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 ZINC001195306736 846500825 /nfs/dbraw/zinc/50/08/25/846500825.db2.gz FRLGMFRCRZYADC-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 ZINC001195306736 846500833 /nfs/dbraw/zinc/50/08/33/846500833.db2.gz FRLGMFRCRZYADC-ZIAGYGMSSA-N 1 2 292.335 0.013 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195445037 846531374 /nfs/dbraw/zinc/53/13/74/846531374.db2.gz YHXQDCBYDPBWKY-VOTSOKGWSA-N 1 2 291.395 0.789 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195445037 846531378 /nfs/dbraw/zinc/53/13/78/846531378.db2.gz YHXQDCBYDPBWKY-VOTSOKGWSA-N 1 2 291.395 0.789 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001195492249 846550821 /nfs/dbraw/zinc/55/08/21/846550821.db2.gz RRYWUIAOHYHASO-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001195492249 846550829 /nfs/dbraw/zinc/55/08/29/846550829.db2.gz RRYWUIAOHYHASO-CHWSQXEVSA-N 1 2 264.369 0.751 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273712422 846687522 /nfs/dbraw/zinc/68/75/22/846687522.db2.gz DWWSNVHEBKDSAV-STQMWFEESA-N 1 2 282.384 0.541 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccsn2)CC1 ZINC001196251470 846712474 /nfs/dbraw/zinc/71/24/74/846712474.db2.gz NZKLSDCDZGVPID-UHFFFAOYSA-N 1 2 293.392 0.941 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccsn2)CC1 ZINC001196251470 846712483 /nfs/dbraw/zinc/71/24/83/846712483.db2.gz NZKLSDCDZGVPID-UHFFFAOYSA-N 1 2 293.392 0.941 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCCF)CC1 ZINC001196798896 846801530 /nfs/dbraw/zinc/80/15/30/846801530.db2.gz FTPQMNXXOOYVET-UHFFFAOYSA-N 1 2 285.363 0.573 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCF)CC1 ZINC001196798896 846801533 /nfs/dbraw/zinc/80/15/33/846801533.db2.gz FTPQMNXXOOYVET-UHFFFAOYSA-N 1 2 285.363 0.573 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(NC(C)=O)c[nH]2)CC1 ZINC001196875800 846805112 /nfs/dbraw/zinc/80/51/12/846805112.db2.gz FVHVDUKQTHZIRU-UHFFFAOYSA-N 1 2 276.340 0.917 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110510785 847120248 /nfs/dbraw/zinc/12/02/48/847120248.db2.gz KRKYRPSGDWALOX-UTUOFQBUSA-N 1 2 273.340 0.587 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001201616910 847797280 /nfs/dbraw/zinc/79/72/80/847797280.db2.gz CYEFMFLMZUHKIC-UHFFFAOYSA-N 1 2 257.359 0.419 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273907347 847815337 /nfs/dbraw/zinc/81/53/37/847815337.db2.gz MKESNLKUNGEOML-WFASDCNBSA-N 1 2 278.352 0.638 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273907347 847815340 /nfs/dbraw/zinc/81/53/40/847815340.db2.gz MKESNLKUNGEOML-WFASDCNBSA-N 1 2 278.352 0.638 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461628 847974753 /nfs/dbraw/zinc/97/47/53/847974753.db2.gz TXAIZEKXOYMBGE-RYUDHWBXSA-N 1 2 285.340 0.004 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461628 847974761 /nfs/dbraw/zinc/97/47/61/847974761.db2.gz TXAIZEKXOYMBGE-RYUDHWBXSA-N 1 2 285.340 0.004 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001252575583 848014653 /nfs/dbraw/zinc/01/46/53/848014653.db2.gz CXNPGJGXZYDOQJ-IINYFYTJSA-N 1 2 286.372 0.489 20 30 CCEDLO Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031924 848311627 /nfs/dbraw/zinc/31/16/27/848311627.db2.gz CGFYLFALNOJNAU-VXGBXAGGSA-N 1 2 288.355 0.294 20 30 CCEDLO Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031924 848311632 /nfs/dbraw/zinc/31/16/32/848311632.db2.gz CGFYLFALNOJNAU-VXGBXAGGSA-N 1 2 288.355 0.294 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@H](C)CO)C2)OCC1=O ZINC001274068435 848337107 /nfs/dbraw/zinc/33/71/07/848337107.db2.gz GNBPEXQPHJEPAV-LBPRGKRZSA-N 1 2 268.357 0.104 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001275819198 848834410 /nfs/dbraw/zinc/83/44/10/848834410.db2.gz NHFLGRKEOSEYJP-LBPRGKRZSA-N 1 2 277.372 0.555 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001275819198 848834416 /nfs/dbraw/zinc/83/44/16/848834416.db2.gz NHFLGRKEOSEYJP-LBPRGKRZSA-N 1 2 277.372 0.555 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N(C)CC#N ZINC001275867134 848851233 /nfs/dbraw/zinc/85/12/33/848851233.db2.gz ZLUUSAAIHIQORN-NWDGAFQWSA-N 1 2 275.356 0.406 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC001095582620 848992306 /nfs/dbraw/zinc/99/23/06/848992306.db2.gz AEZVSQNARFJUNK-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645672 849003033 /nfs/dbraw/zinc/00/30/33/849003033.db2.gz CHLCMCMFEZAJGM-NEBZKDRISA-N 1 2 299.378 0.691 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1CO ZINC000687624211 849132007 /nfs/dbraw/zinc/13/20/07/849132007.db2.gz HHPIEFSBNAXWBS-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1CO ZINC000687624211 849132014 /nfs/dbraw/zinc/13/20/14/849132014.db2.gz HHPIEFSBNAXWBS-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001276341540 849431677 /nfs/dbraw/zinc/43/16/77/849431677.db2.gz DSKFUQPKNUYXSK-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859114 849445898 /nfs/dbraw/zinc/44/58/98/849445898.db2.gz NJSLUBXCOSAMSR-PJXYFTJBSA-N 1 2 295.774 0.536 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859114 849445901 /nfs/dbraw/zinc/44/59/01/849445901.db2.gz NJSLUBXCOSAMSR-PJXYFTJBSA-N 1 2 295.774 0.536 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859114 849445913 /nfs/dbraw/zinc/44/59/13/849445913.db2.gz NJSLUBXCOSAMSR-PJXYFTJBSA-N 1 2 295.774 0.536 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859114 849445916 /nfs/dbraw/zinc/44/59/16/849445916.db2.gz NJSLUBXCOSAMSR-PJXYFTJBSA-N 1 2 295.774 0.536 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001114893918 849586057 /nfs/dbraw/zinc/58/60/57/849586057.db2.gz AHWQYLLOGMTLEK-CIQGVGRVSA-N 1 2 273.340 0.404 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2CCC2)C1=O ZINC001038009015 849636126 /nfs/dbraw/zinc/63/61/26/849636126.db2.gz ZIUPBAQPRGYKPE-UONOGXRCSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2CCC2)C1=O ZINC001038009015 849636129 /nfs/dbraw/zinc/63/61/29/849636129.db2.gz ZIUPBAQPRGYKPE-UONOGXRCSA-N 1 2 291.395 0.764 20 30 CCEDLO C[C@@H](NC(=O)C1=CCCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276367495 849745172 /nfs/dbraw/zinc/74/51/72/849745172.db2.gz BYCUONLPGIHWMZ-LLVKDONJSA-N 1 2 290.367 0.173 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001038637655 849764535 /nfs/dbraw/zinc/76/45/35/849764535.db2.gz KRXBHUHRHNSYMP-OLZOCXBDSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001038637655 849764543 /nfs/dbraw/zinc/76/45/43/849764543.db2.gz KRXBHUHRHNSYMP-OLZOCXBDSA-N 1 2 286.379 0.664 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001038246188 849828032 /nfs/dbraw/zinc/82/80/32/849828032.db2.gz WOKBVULARNLWIS-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001038246188 849828038 /nfs/dbraw/zinc/82/80/38/849828038.db2.gz WOKBVULARNLWIS-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001038249403 849828136 /nfs/dbraw/zinc/82/81/36/849828136.db2.gz FWHPFZFYYXDDEU-LBPRGKRZSA-N 1 2 288.351 0.701 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001038249403 849828142 /nfs/dbraw/zinc/82/81/42/849828142.db2.gz FWHPFZFYYXDDEU-LBPRGKRZSA-N 1 2 288.351 0.701 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001038264231 849834187 /nfs/dbraw/zinc/83/41/87/849834187.db2.gz ZVKKNJRZYGUOFX-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001038264231 849834193 /nfs/dbraw/zinc/83/41/93/849834193.db2.gz ZVKKNJRZYGUOFX-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC001038292308 849842367 /nfs/dbraw/zinc/84/23/67/849842367.db2.gz BFQLFFLGQPQSGQ-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC001038292308 849842378 /nfs/dbraw/zinc/84/23/78/849842378.db2.gz BFQLFFLGQPQSGQ-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001038334643 849854558 /nfs/dbraw/zinc/85/45/58/849854558.db2.gz BCSYDQPIUQBYDS-ZDUSSCGKSA-N 1 2 297.362 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001038334643 849854563 /nfs/dbraw/zinc/85/45/63/849854563.db2.gz BCSYDQPIUQBYDS-ZDUSSCGKSA-N 1 2 297.362 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001038330688 849855012 /nfs/dbraw/zinc/85/50/12/849855012.db2.gz XGSZWFDELDRYHF-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001038330688 849855021 /nfs/dbraw/zinc/85/50/21/849855021.db2.gz XGSZWFDELDRYHF-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038343376 849857921 /nfs/dbraw/zinc/85/79/21/849857921.db2.gz BEGAGGVFAVXCBB-CYBMUJFWSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001038343376 849857928 /nfs/dbraw/zinc/85/79/28/849857928.db2.gz BEGAGGVFAVXCBB-CYBMUJFWSA-N 1 2 295.346 0.852 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001038434432 849895391 /nfs/dbraw/zinc/89/53/91/849895391.db2.gz YJBUYMCJBMOYRC-GFCCVEGCSA-N 1 2 290.367 0.394 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001038434432 849895400 /nfs/dbraw/zinc/89/54/00/849895400.db2.gz YJBUYMCJBMOYRC-GFCCVEGCSA-N 1 2 290.367 0.394 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038443165 849901602 /nfs/dbraw/zinc/90/16/02/849901602.db2.gz GRCSXKMPFXMONZ-LBPRGKRZSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038443165 849901615 /nfs/dbraw/zinc/90/16/15/849901615.db2.gz GRCSXKMPFXMONZ-LBPRGKRZSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038477292 849917904 /nfs/dbraw/zinc/91/79/04/849917904.db2.gz NAUSEAWWBMJPQX-GFCCVEGCSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038477292 849917907 /nfs/dbraw/zinc/91/79/07/849917907.db2.gz NAUSEAWWBMJPQX-GFCCVEGCSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001038501789 849923494 /nfs/dbraw/zinc/92/34/94/849923494.db2.gz IZLQPDIPKFDCEQ-QLFBSQMISA-N 1 2 276.380 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001038501789 849923500 /nfs/dbraw/zinc/92/35/00/849923500.db2.gz IZLQPDIPKFDCEQ-QLFBSQMISA-N 1 2 276.380 0.873 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038561957 849942938 /nfs/dbraw/zinc/94/29/38/849942938.db2.gz AWHKRIKMFSEZON-ZDUSSCGKSA-N 1 2 274.368 0.864 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001038561957 849942933 /nfs/dbraw/zinc/94/29/33/849942933.db2.gz AWHKRIKMFSEZON-ZDUSSCGKSA-N 1 2 274.368 0.864 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038682948 849980461 /nfs/dbraw/zinc/98/04/61/849980461.db2.gz GDWKCAZROZLFRM-WDEREUQCSA-N 1 2 273.340 0.544 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038806675 850022299 /nfs/dbraw/zinc/02/22/99/850022299.db2.gz QDXJWFXIDFUSRB-SECBINFHSA-N 1 2 279.365 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038806675 850022307 /nfs/dbraw/zinc/02/23/07/850022307.db2.gz QDXJWFXIDFUSRB-SECBINFHSA-N 1 2 279.365 0.837 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001038814147 850024042 /nfs/dbraw/zinc/02/40/42/850024042.db2.gz XLXRTHOWBVJZTR-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001038814147 850024047 /nfs/dbraw/zinc/02/40/47/850024047.db2.gz XLXRTHOWBVJZTR-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038831548 850035097 /nfs/dbraw/zinc/03/50/97/850035097.db2.gz PSZJKPXWJUGGMO-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001038831548 850035106 /nfs/dbraw/zinc/03/51/06/850035106.db2.gz PSZJKPXWJUGGMO-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038854162 850051107 /nfs/dbraw/zinc/05/11/07/850051107.db2.gz PPAHWGPDJPQEOZ-CYBMUJFWSA-N 1 2 289.383 0.995 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038854162 850051120 /nfs/dbraw/zinc/05/11/20/850051120.db2.gz PPAHWGPDJPQEOZ-CYBMUJFWSA-N 1 2 289.383 0.995 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001038857930 850052793 /nfs/dbraw/zinc/05/27/93/850052793.db2.gz AIQHYNQECJAIRJ-NWDGAFQWSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001038857930 850052799 /nfs/dbraw/zinc/05/27/99/850052799.db2.gz AIQHYNQECJAIRJ-NWDGAFQWSA-N 1 2 286.379 0.972 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001038913243 850080461 /nfs/dbraw/zinc/08/04/61/850080461.db2.gz WQEWLAQXJWCDSB-CYBMUJFWSA-N 1 2 296.334 0.595 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038922255 850084044 /nfs/dbraw/zinc/08/40/44/850084044.db2.gz WAKSSWBZNIJHON-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038922255 850084048 /nfs/dbraw/zinc/08/40/48/850084048.db2.gz WAKSSWBZNIJHON-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1OC ZINC001038961890 850102675 /nfs/dbraw/zinc/10/26/75/850102675.db2.gz NURPZLUWADMZNA-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1OC ZINC001038961890 850102680 /nfs/dbraw/zinc/10/26/80/850102680.db2.gz NURPZLUWADMZNA-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084904 850153023 /nfs/dbraw/zinc/15/30/23/850153023.db2.gz OAZXULNNLKKGIB-CYBMUJFWSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084904 850153027 /nfs/dbraw/zinc/15/30/27/850153027.db2.gz OAZXULNNLKKGIB-CYBMUJFWSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001040489379 850295661 /nfs/dbraw/zinc/29/56/61/850295661.db2.gz PYIFVYVKQYARIQ-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001040489379 850295681 /nfs/dbraw/zinc/29/56/81/850295681.db2.gz PYIFVYVKQYARIQ-HNNXBMFYSA-N 1 2 287.367 0.295 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001042306446 850612238 /nfs/dbraw/zinc/61/22/38/850612238.db2.gz GUHHISPWLQFYEM-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001042306446 850612233 /nfs/dbraw/zinc/61/22/33/850612233.db2.gz GUHHISPWLQFYEM-CHWSQXEVSA-N 1 2 287.367 0.293 20 30 CCEDLO COC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628285 850717157 /nfs/dbraw/zinc/71/71/57/850717157.db2.gz FFZWIXLFVSPDCM-JTQLQIEISA-N 1 2 276.340 0.677 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3c(n2)CCCC3)C1 ZINC001042832544 850766619 /nfs/dbraw/zinc/76/66/19/850766619.db2.gz IHFSCOGRKLZBGU-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001043441947 850873988 /nfs/dbraw/zinc/87/39/88/850873988.db2.gz UFSIUDQEVIWVFO-AEGPPILISA-N 1 2 292.379 0.204 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001043621001 850911560 /nfs/dbraw/zinc/91/15/60/850911560.db2.gz DTCOTDGKGSYTIK-AWEZNQCLSA-N 1 2 291.395 0.552 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001043746995 850930917 /nfs/dbraw/zinc/93/09/17/850930917.db2.gz NQMOZPIVRQHMCR-UHFFFAOYSA-N 1 2 264.329 0.458 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)c1 ZINC001043822035 850938251 /nfs/dbraw/zinc/93/82/51/850938251.db2.gz RFIYCTGGPLJOPS-LLVKDONJSA-N 1 2 273.336 0.200 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccn3ccnc23)C1 ZINC001043912470 850963441 /nfs/dbraw/zinc/96/34/41/850963441.db2.gz WVCRLQHQRZQAJJ-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOC)C2)nc1 ZINC001044203732 851041683 /nfs/dbraw/zinc/04/16/83/851041683.db2.gz UJLCEDOIYGEITH-UHFFFAOYSA-N 1 2 273.336 0.466 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001044236547 851048543 /nfs/dbraw/zinc/04/85/43/851048543.db2.gz HYTZTHNOSHGEGA-GFCCVEGCSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001044268530 851057976 /nfs/dbraw/zinc/05/79/76/851057976.db2.gz ZGYHOCAIQVAJAQ-UHFFFAOYSA-N 1 2 298.350 0.605 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001044285887 851061623 /nfs/dbraw/zinc/06/16/23/851061623.db2.gz YUKHDQXUAAFCDB-UHFFFAOYSA-N 1 2 285.347 0.565 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044794636 851160057 /nfs/dbraw/zinc/16/00/57/851160057.db2.gz XLBHQLHBZFQOFD-MNOVXSKESA-N 1 2 261.329 0.445 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001045493723 851266165 /nfs/dbraw/zinc/26/61/65/851266165.db2.gz DPFOVOYUHCVFRW-LBPRGKRZSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[NH+]1CCC(C)(NC(=O)c2nc[nH]n2)CC1 ZINC001045591412 851283307 /nfs/dbraw/zinc/28/33/07/851283307.db2.gz SUBUPXZTESFFIO-UHFFFAOYSA-N 1 2 261.329 0.412 20 30 CCEDLO CSCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046002025 851346471 /nfs/dbraw/zinc/34/64/71/851346471.db2.gz QRUBHFKKPIPDDF-LBPRGKRZSA-N 1 2 282.413 0.091 20 30 CCEDLO CC[C@H](F)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046053950 851360476 /nfs/dbraw/zinc/36/04/76/851360476.db2.gz HSQJVXJBKPQVJG-OLZOCXBDSA-N 1 2 282.363 0.477 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001047275495 851692188 /nfs/dbraw/zinc/69/21/88/851692188.db2.gz LMMAJYLZIVGJLO-UWVGGRQHSA-N 1 2 260.284 0.168 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001047275495 851692197 /nfs/dbraw/zinc/69/21/97/851692197.db2.gz LMMAJYLZIVGJLO-UWVGGRQHSA-N 1 2 260.284 0.168 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)cc1 ZINC001047480119 851780902 /nfs/dbraw/zinc/78/09/02/851780902.db2.gz HOTLVNWGOCYCHO-GJZGRUSLSA-N 1 2 290.338 0.755 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)cc1 ZINC001047480119 851780905 /nfs/dbraw/zinc/78/09/05/851780905.db2.gz HOTLVNWGOCYCHO-GJZGRUSLSA-N 1 2 290.338 0.755 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001047540928 851805807 /nfs/dbraw/zinc/80/58/07/851805807.db2.gz FJYHVOZHWIFTMF-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001047540928 851805814 /nfs/dbraw/zinc/80/58/14/851805814.db2.gz FJYHVOZHWIFTMF-STQMWFEESA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(CCC)n2)C1 ZINC001047597207 851829558 /nfs/dbraw/zinc/82/95/58/851829558.db2.gz IYJLIRDZJHXYHY-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(CCC)n2)C1 ZINC001047597207 851829565 /nfs/dbraw/zinc/82/95/65/851829565.db2.gz IYJLIRDZJHXYHY-STQMWFEESA-N 1 2 291.351 0.377 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096259712 851871191 /nfs/dbraw/zinc/87/11/91/851871191.db2.gz GBMNQXPNVQWGNV-UHFFFAOYSA-N 1 2 290.342 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831209 852076624 /nfs/dbraw/zinc/07/66/24/852076624.db2.gz LNCDQXDPDINMTM-AEJSXWLSSA-N 1 2 278.249 0.910 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831209 852076639 /nfs/dbraw/zinc/07/66/39/852076639.db2.gz LNCDQXDPDINMTM-AEJSXWLSSA-N 1 2 278.249 0.910 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831209 852076650 /nfs/dbraw/zinc/07/66/50/852076650.db2.gz LNCDQXDPDINMTM-AEJSXWLSSA-N 1 2 278.249 0.910 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831209 852076661 /nfs/dbraw/zinc/07/66/61/852076661.db2.gz LNCDQXDPDINMTM-AEJSXWLSSA-N 1 2 278.249 0.910 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001048855665 852083801 /nfs/dbraw/zinc/08/38/01/852083801.db2.gz HAZKPXHCHDYFCB-TXEJJXNPSA-N 1 2 273.340 0.256 20 30 CCEDLO N#CCN1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001048855665 852083809 /nfs/dbraw/zinc/08/38/09/852083809.db2.gz HAZKPXHCHDYFCB-TXEJJXNPSA-N 1 2 273.340 0.256 20 30 CCEDLO C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097218090 852514887 /nfs/dbraw/zinc/51/48/87/852514887.db2.gz HWUNGCZFFSXYAA-BETUJISGSA-N 1 2 288.351 0.884 20 30 CCEDLO C=CCOCC(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111445160 852516106 /nfs/dbraw/zinc/51/61/06/852516106.db2.gz NZXFVCSJBRBHFA-UHFFFAOYSA-N 1 2 294.355 0.220 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 ZINC001053226944 852713377 /nfs/dbraw/zinc/71/33/77/852713377.db2.gz DWLDAIUOOQOJGR-UHFFFAOYSA-N 1 2 288.351 0.822 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)CO2 ZINC001053709911 852784495 /nfs/dbraw/zinc/78/44/95/852784495.db2.gz FEHOSNXAQNFEOF-SECBINFHSA-N 1 2 260.284 0.787 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C)c1)O2 ZINC001053569541 852762478 /nfs/dbraw/zinc/76/24/78/852762478.db2.gz BVBQCHYYRUMXHR-CYBMUJFWSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn[nH]c1)O2 ZINC001053577659 852763300 /nfs/dbraw/zinc/76/33/00/852763300.db2.gz NQQKFNLDVQOBBH-ZDUSSCGKSA-N 1 2 290.367 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnns1)CO2 ZINC001053747450 852801634 /nfs/dbraw/zinc/80/16/34/852801634.db2.gz YMPSSCLXWSIPSN-JTQLQIEISA-N 1 2 292.364 0.135 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCOC1)CO2 ZINC001053752252 852804563 /nfs/dbraw/zinc/80/45/63/852804563.db2.gz VXUPBWKOMIOXCV-OLZOCXBDSA-N 1 2 280.368 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccnc1)CO2 ZINC001053776587 852815963 /nfs/dbraw/zinc/81/59/63/852815963.db2.gz AHBSMKNPSIIOMI-HNNXBMFYSA-N 1 2 299.374 0.607 20 30 CCEDLO C=C1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001053914794 852845713 /nfs/dbraw/zinc/84/57/13/852845713.db2.gz UKKGVZSLGYJRNT-AWEZNQCLSA-N 1 2 294.395 0.685 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccs1)CO2 ZINC001053966233 852859206 /nfs/dbraw/zinc/85/92/06/852859206.db2.gz PETPZPARHZXIFR-LLVKDONJSA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ncc[nH]1)CO2 ZINC001053968107 852860722 /nfs/dbraw/zinc/86/07/22/852860722.db2.gz JPCVXNAHRMAQOF-GFCCVEGCSA-N 1 2 290.367 0.488 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264633 852898812 /nfs/dbraw/zinc/89/88/12/852898812.db2.gz NKQIOGVUUJNJSB-HUUCEWRRSA-N 1 2 299.330 0.917 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264633 852898814 /nfs/dbraw/zinc/89/88/14/852898814.db2.gz NKQIOGVUUJNJSB-HUUCEWRRSA-N 1 2 299.330 0.917 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NCC#N ZINC001054630335 852983975 /nfs/dbraw/zinc/98/39/75/852983975.db2.gz XNBYELXBZNCLSS-MNOVXSKESA-N 1 2 261.329 0.302 20 30 CCEDLO N#Cc1cccnc1N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056657142 853181100 /nfs/dbraw/zinc/18/11/00/853181100.db2.gz FQNLOYYGTBTEGC-CYBMUJFWSA-N 1 2 296.334 0.863 20 30 CCEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056790452 853213819 /nfs/dbraw/zinc/21/38/19/853213819.db2.gz DOTPTZKMRFUGOK-GFCCVEGCSA-N 1 2 296.334 0.354 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001050918662 853486162 /nfs/dbraw/zinc/48/61/62/853486162.db2.gz VYFFVYQBLOPOHE-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001050918662 853486168 /nfs/dbraw/zinc/48/61/68/853486168.db2.gz VYFFVYQBLOPOHE-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001051044498 853511460 /nfs/dbraw/zinc/51/14/60/853511460.db2.gz RNOIBXCJKXVHLC-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001051044498 853511464 /nfs/dbraw/zinc/51/14/64/853511464.db2.gz RNOIBXCJKXVHLC-LLVKDONJSA-N 1 2 295.339 0.690 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001051495185 853596891 /nfs/dbraw/zinc/59/68/91/853596891.db2.gz RYBNDVXQMPHGFA-GXSJLCMTSA-N 1 2 295.368 0.015 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989597 853672027 /nfs/dbraw/zinc/67/20/27/853672027.db2.gz HJIXEFWFTUBYTL-ZIAGYGMSSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989597 853672028 /nfs/dbraw/zinc/67/20/28/853672028.db2.gz HJIXEFWFTUBYTL-ZIAGYGMSSA-N 1 2 295.452 0.590 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001069887494 853992958 /nfs/dbraw/zinc/99/29/58/853992958.db2.gz AXMASYQPVSLDEV-BDAKNGLRSA-N 1 2 271.271 0.071 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001069887494 853992966 /nfs/dbraw/zinc/99/29/66/853992966.db2.gz AXMASYQPVSLDEV-BDAKNGLRSA-N 1 2 271.271 0.071 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069907853 853998321 /nfs/dbraw/zinc/99/83/21/853998321.db2.gz RMYFHRDJBFXIAJ-KGLIPLIRSA-N 1 2 298.350 0.203 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069907853 853998328 /nfs/dbraw/zinc/99/83/28/853998328.db2.gz RMYFHRDJBFXIAJ-KGLIPLIRSA-N 1 2 298.350 0.203 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001069909337 853998474 /nfs/dbraw/zinc/99/84/74/853998474.db2.gz RZUAGYCEWHHBSZ-KGLIPLIRSA-N 1 2 285.351 0.363 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@@H](n2ccnn2)C1 ZINC001069909337 853998482 /nfs/dbraw/zinc/99/84/82/853998482.db2.gz RZUAGYCEWHHBSZ-KGLIPLIRSA-N 1 2 285.351 0.363 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069936026 854007288 /nfs/dbraw/zinc/00/72/88/854007288.db2.gz PUAYKXWRFDAIDV-KGLIPLIRSA-N 1 2 298.350 0.285 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069936026 854007295 /nfs/dbraw/zinc/00/72/95/854007295.db2.gz PUAYKXWRFDAIDV-KGLIPLIRSA-N 1 2 298.350 0.285 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(C)=O)C1 ZINC001070895385 854099535 /nfs/dbraw/zinc/09/95/35/854099535.db2.gz AIOXYNVFUCLKPX-XQQFMLRXSA-N 1 2 279.340 0.298 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(C)=O)C1 ZINC001070895385 854099539 /nfs/dbraw/zinc/09/95/39/854099539.db2.gz AIOXYNVFUCLKPX-XQQFMLRXSA-N 1 2 279.340 0.298 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074312044 854709835 /nfs/dbraw/zinc/70/98/35/854709835.db2.gz GKRGATDBXNLGFY-UONOGXRCSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074312044 854709839 /nfs/dbraw/zinc/70/98/39/854709839.db2.gz GKRGATDBXNLGFY-UONOGXRCSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CCN1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001074346114 854713600 /nfs/dbraw/zinc/71/36/00/854713600.db2.gz JKBNCMXZHZIBBN-KBPBESRZSA-N 1 2 290.367 0.440 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098591707 854871960 /nfs/dbraw/zinc/87/19/60/854871960.db2.gz MQUWZLOFQGBACD-NSHDSACASA-N 1 2 297.309 0.430 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001099012567 854905795 /nfs/dbraw/zinc/90/57/95/854905795.db2.gz DBXPTWUVYCJVFO-NHYWBVRUSA-N 1 2 288.351 0.343 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001099012567 854905801 /nfs/dbraw/zinc/90/58/01/854905801.db2.gz DBXPTWUVYCJVFO-NHYWBVRUSA-N 1 2 288.351 0.343 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001099713062 854975665 /nfs/dbraw/zinc/97/56/65/854975665.db2.gz KGBWBWBVXBWUMN-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCC)[C@H](O)C1 ZINC001099731656 854979028 /nfs/dbraw/zinc/97/90/28/854979028.db2.gz AOUZOHIVNZRJHK-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCC)[C@H](O)C1 ZINC001099731656 854979032 /nfs/dbraw/zinc/97/90/32/854979032.db2.gz AOUZOHIVNZRJHK-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C ZINC001101822222 855372494 /nfs/dbraw/zinc/37/24/94/855372494.db2.gz IKHBOWXRVLXLFU-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C ZINC001101822222 855372505 /nfs/dbraw/zinc/37/25/05/855372505.db2.gz IKHBOWXRVLXLFU-HBNTYKKESA-N 1 2 293.396 0.882 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccncc1C#N ZINC001104001755 855559987 /nfs/dbraw/zinc/55/99/87/855559987.db2.gz BQQJCBUFTDXNII-GFCCVEGCSA-N 1 2 298.350 0.436 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001117421001 855974192 /nfs/dbraw/zinc/97/41/92/855974192.db2.gz PMXJSCWQDKYIQU-UHFFFAOYSA-N 1 2 290.367 0.651 20 30 CCEDLO CO[C@@H](C[NH+]1CC(O)(CC#N)C1)C1CCOCC1 ZINC001119245407 856596073 /nfs/dbraw/zinc/59/60/73/856596073.db2.gz PJHISFSQSDVZFG-LBPRGKRZSA-N 1 2 254.330 0.388 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323372393 912302637 /nfs/dbraw/zinc/30/26/37/912302637.db2.gz VUGKRPIHLGTZJB-AWEZNQCLSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323372393 912302651 /nfs/dbraw/zinc/30/26/51/912302651.db2.gz VUGKRPIHLGTZJB-AWEZNQCLSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COCc2ccncc2)C1 ZINC001324004279 912624524 /nfs/dbraw/zinc/62/45/24/912624524.db2.gz CEQHRVHGUWWYFU-UHFFFAOYSA-N 1 2 287.363 0.764 20 30 CCEDLO C=C(C)COCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001324308779 912772799 /nfs/dbraw/zinc/77/27/99/912772799.db2.gz MBWWODQRZIDONI-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324646102 912961239 /nfs/dbraw/zinc/96/12/39/912961239.db2.gz GRSQLAQBHRBYRW-JMSVASOKSA-N 1 2 292.383 0.253 20 30 CCEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324646102 912961266 /nfs/dbraw/zinc/96/12/66/912961266.db2.gz GRSQLAQBHRBYRW-JMSVASOKSA-N 1 2 292.383 0.253 20 30 CCEDLO N#Cc1ccnc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC001324799675 913042513 /nfs/dbraw/zinc/04/25/13/913042513.db2.gz SYPJJDOHGQTCCX-UHFFFAOYSA-N 1 2 253.265 0.847 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC2(CCO)C[NH+](CCCF)C2)c1 ZINC001394147779 913047204 /nfs/dbraw/zinc/04/72/04/913047204.db2.gz KOFDPZXULFLMQY-UHFFFAOYSA-N 1 2 294.330 0.413 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(COC)o2)C1 ZINC001325236857 913296418 /nfs/dbraw/zinc/29/64/18/913296418.db2.gz VHBBAWVSJSJYAY-UHFFFAOYSA-N 1 2 292.335 0.226 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC2CCOCC2)CC1 ZINC001266281021 891417534 /nfs/dbraw/zinc/41/75/34/891417534.db2.gz BRRSMUKAMAVVAD-UHFFFAOYSA-N 1 2 294.399 0.060 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCCC#N ZINC001349826400 891785744 /nfs/dbraw/zinc/78/57/44/891785744.db2.gz PYXQTMRKDKEEIB-NSHDSACASA-N 1 2 278.312 0.625 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001408617313 891936392 /nfs/dbraw/zinc/93/63/92/891936392.db2.gz NZUUZVWMVFZSQN-JTQLQIEISA-N 1 2 299.334 0.911 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001419954312 892160885 /nfs/dbraw/zinc/16/08/85/892160885.db2.gz RNFFMLBVOZHOAJ-GFCCVEGCSA-N 1 2 296.415 0.841 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001419954312 892160891 /nfs/dbraw/zinc/16/08/91/892160891.db2.gz RNFFMLBVOZHOAJ-GFCCVEGCSA-N 1 2 296.415 0.841 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001481215825 892362374 /nfs/dbraw/zinc/36/23/74/892362374.db2.gz OGIJEOXURBKAJE-QMMMGPOBSA-N 1 2 253.331 0.246 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528584 892778480 /nfs/dbraw/zinc/77/84/80/892778480.db2.gz SRHJUGHXAKLFPN-RISCZKNCSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528584 892778489 /nfs/dbraw/zinc/77/84/89/892778489.db2.gz SRHJUGHXAKLFPN-RISCZKNCSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 ZINC001481605273 892887990 /nfs/dbraw/zinc/88/79/90/892887990.db2.gz ZJCYDRLLFVZTFH-FZMZJTMJSA-N 1 2 281.400 0.914 20 30 CCEDLO C=CCC(CC=C)C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481627676 892926103 /nfs/dbraw/zinc/92/61/03/892926103.db2.gz WPHQDMXVNQHTCV-UHFFFAOYSA-N 1 2 293.411 0.891 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001481701565 893043268 /nfs/dbraw/zinc/04/32/68/893043268.db2.gz KOVQWPCBBZMZRQ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001481701565 893043286 /nfs/dbraw/zinc/04/32/86/893043286.db2.gz KOVQWPCBBZMZRQ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001481766528 893130655 /nfs/dbraw/zinc/13/06/55/893130655.db2.gz LLFSDXSKNNMIPJ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001481766528 893130659 /nfs/dbraw/zinc/13/06/59/893130659.db2.gz LLFSDXSKNNMIPJ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001481843219 893199016 /nfs/dbraw/zinc/19/90/16/893199016.db2.gz XZLVLQOZDXHWGZ-JTQLQIEISA-N 1 2 280.376 0.407 20 30 CCEDLO CC[C@H](C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362316756 893547179 /nfs/dbraw/zinc/54/71/79/893547179.db2.gz AAMGJABIHLZXQP-ZYHUDNBSSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@H](CNCC#N)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482336276 893884120 /nfs/dbraw/zinc/88/41/20/893884120.db2.gz BKQBFYFFTPRYHE-VXGBXAGGSA-N 1 2 263.345 0.794 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OC ZINC001299178716 894113681 /nfs/dbraw/zinc/11/36/81/894113681.db2.gz MUXLNTKFVPTURM-GHMZBOCLSA-N 1 2 275.308 0.127 20 30 CCEDLO C=C1CC(C)(C(=O)NC/C=C/C[NH2+]Cc2nnnn2C)C1 ZINC001483058254 894860748 /nfs/dbraw/zinc/86/07/48/894860748.db2.gz TUUSBAYMIKPRCJ-SNAWJCMRSA-N 1 2 290.371 0.328 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)on1 ZINC001483338155 895474941 /nfs/dbraw/zinc/47/49/41/895474941.db2.gz VHRGPVUFGUUMBD-LBPRGKRZSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)on1 ZINC001483338155 895474949 /nfs/dbraw/zinc/47/49/49/895474949.db2.gz VHRGPVUFGUUMBD-LBPRGKRZSA-N 1 2 293.367 0.959 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001483671956 895828388 /nfs/dbraw/zinc/82/83/88/895828388.db2.gz OKRWQFWOEOTRMO-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001483671956 895828404 /nfs/dbraw/zinc/82/84/04/895828404.db2.gz OKRWQFWOEOTRMO-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)CCCCN1CCOCC1 ZINC001483687314 895856427 /nfs/dbraw/zinc/85/64/27/895856427.db2.gz GBAKWSBBSTXWNK-HNNXBMFYSA-N 1 2 295.427 0.865 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)CCCCN1CCOCC1 ZINC001483687314 895856434 /nfs/dbraw/zinc/85/64/34/895856434.db2.gz GBAKWSBBSTXWNK-HNNXBMFYSA-N 1 2 295.427 0.865 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484061692 896180694 /nfs/dbraw/zinc/18/06/94/896180694.db2.gz WSSOBLIBYFRTNH-IUODEOHRSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484061692 896180703 /nfs/dbraw/zinc/18/07/03/896180703.db2.gz WSSOBLIBYFRTNH-IUODEOHRSA-N 1 2 294.399 0.499 20 30 CCEDLO Cc1nc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 ZINC001484208626 896243812 /nfs/dbraw/zinc/24/38/12/896243812.db2.gz OTIVTARSIQOYJF-HZMBPMFUSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 ZINC001484208626 896243826 /nfs/dbraw/zinc/24/38/26/896243826.db2.gz OTIVTARSIQOYJF-HZMBPMFUSA-N 1 2 292.339 0.196 20 30 CCEDLO C=CCN1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484312470 896335546 /nfs/dbraw/zinc/33/55/46/896335546.db2.gz AXGUQHXROILGBC-UHFFFAOYSA-N 1 2 278.356 0.012 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001326648897 914074770 /nfs/dbraw/zinc/07/47/70/914074770.db2.gz ZWMAETMXFBDXJE-HUUCEWRRSA-N 1 2 296.411 0.768 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001484583536 896476743 /nfs/dbraw/zinc/47/67/43/896476743.db2.gz CESFDPPMYJQCSW-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001484583536 896476747 /nfs/dbraw/zinc/47/67/47/896476747.db2.gz CESFDPPMYJQCSW-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCCOC ZINC001484587483 896482393 /nfs/dbraw/zinc/48/23/93/896482393.db2.gz WLWXSTRLDVZLCP-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCOC ZINC001484587483 896482402 /nfs/dbraw/zinc/48/24/02/896482402.db2.gz WLWXSTRLDVZLCP-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001326648897 914074786 /nfs/dbraw/zinc/07/47/86/914074786.db2.gz ZWMAETMXFBDXJE-HUUCEWRRSA-N 1 2 296.411 0.768 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)OC)O2 ZINC001484781609 896596842 /nfs/dbraw/zinc/59/68/42/896596842.db2.gz MNGRMKQFUIXJMQ-NWDGAFQWSA-N 1 2 268.357 0.557 20 30 CCEDLO C=C(C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484795398 896608775 /nfs/dbraw/zinc/60/87/75/896608775.db2.gz GPXDVAWDUDJIHS-CHWSQXEVSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)COC)cc2C1 ZINC001484872290 896643728 /nfs/dbraw/zinc/64/37/28/896643728.db2.gz AFVCMPLGMVSUCU-UHFFFAOYSA-N 1 2 258.321 0.898 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)COC)cc2C1 ZINC001484872290 896643734 /nfs/dbraw/zinc/64/37/34/896643734.db2.gz AFVCMPLGMVSUCU-UHFFFAOYSA-N 1 2 258.321 0.898 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001326668627 914086711 /nfs/dbraw/zinc/08/67/11/914086711.db2.gz XBJZIPGMJWUYEW-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001326668627 914086723 /nfs/dbraw/zinc/08/67/23/914086723.db2.gz XBJZIPGMJWUYEW-CYBMUJFWSA-N 1 2 292.383 0.817 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccoc2)C1 ZINC001485397340 897022063 /nfs/dbraw/zinc/02/20/63/897022063.db2.gz UYSLPQIWAKVGNN-UHFFFAOYSA-N 1 2 262.309 0.470 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)SC)C1 ZINC001485491205 897078869 /nfs/dbraw/zinc/07/88/69/897078869.db2.gz QJEKNPNXUIOXJY-QWRGUYRKSA-N 1 2 299.440 0.477 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC ZINC001032372136 897344922 /nfs/dbraw/zinc/34/49/22/897344922.db2.gz NXIFPBDYKRGUFR-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC ZINC001032372136 897344931 /nfs/dbraw/zinc/34/49/31/897344931.db2.gz NXIFPBDYKRGUFR-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(F)F)CC2 ZINC001127909786 897453015 /nfs/dbraw/zinc/45/30/15/897453015.db2.gz DPDAMMXVAPVOOM-VIFPVBQESA-N 1 2 297.309 0.087 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccc(C)n2)C1 ZINC001107906067 897476423 /nfs/dbraw/zinc/47/64/23/897476423.db2.gz HGSKDJSSCJQGJN-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccc(C)n2)C1 ZINC001107906067 897476439 /nfs/dbraw/zinc/47/64/39/897476439.db2.gz HGSKDJSSCJQGJN-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCC2 ZINC001032453195 897587116 /nfs/dbraw/zinc/58/71/16/897587116.db2.gz PPAQFWIDYYAXAR-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCC2 ZINC001032453195 897587131 /nfs/dbraw/zinc/58/71/31/897587131.db2.gz PPAQFWIDYYAXAR-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1CC ZINC001032464774 897604837 /nfs/dbraw/zinc/60/48/37/897604837.db2.gz YGSMOENDTHJHJJ-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1CC ZINC001032464774 897604842 /nfs/dbraw/zinc/60/48/42/897604842.db2.gz YGSMOENDTHJHJJ-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511010 897677077 /nfs/dbraw/zinc/67/70/77/897677077.db2.gz DKEKGDDCMZNNTH-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511010 897677086 /nfs/dbraw/zinc/67/70/86/897677086.db2.gz DKEKGDDCMZNNTH-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001032635946 897862084 /nfs/dbraw/zinc/86/20/84/897862084.db2.gz LIOMAELKPZEXCA-IGQOVBAYSA-N 1 2 284.363 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001032635946 897862090 /nfs/dbraw/zinc/86/20/90/897862090.db2.gz LIOMAELKPZEXCA-IGQOVBAYSA-N 1 2 284.363 0.442 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)c1 ZINC001032692145 897938236 /nfs/dbraw/zinc/93/82/36/897938236.db2.gz WJVIWQBYPREUBB-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)c1 ZINC001032692145 897938244 /nfs/dbraw/zinc/93/82/44/897938244.db2.gz WJVIWQBYPREUBB-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001077835408 897947175 /nfs/dbraw/zinc/94/71/75/897947175.db2.gz NPYTYPLCJOJPPS-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001077835408 897947193 /nfs/dbraw/zinc/94/71/93/897947193.db2.gz NPYTYPLCJOJPPS-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccn1 ZINC001032722390 897988293 /nfs/dbraw/zinc/98/82/93/897988293.db2.gz VROTUFZVUSLCST-RDBSUJKOSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccn1 ZINC001032722390 897988305 /nfs/dbraw/zinc/98/83/05/897988305.db2.gz VROTUFZVUSLCST-RDBSUJKOSA-N 1 2 272.352 0.753 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001077882506 897995630 /nfs/dbraw/zinc/99/56/30/897995630.db2.gz JWMXJSOMTJISAF-ZIAGYGMSSA-N 1 2 298.346 0.361 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001077882506 897995640 /nfs/dbraw/zinc/99/56/40/897995640.db2.gz JWMXJSOMTJISAF-ZIAGYGMSSA-N 1 2 298.346 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(CC)c1 ZINC001032727160 898021063 /nfs/dbraw/zinc/02/10/63/898021063.db2.gz ZMNGSIRLMQPNFC-KBPBESRZSA-N 1 2 272.352 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(CC)c1 ZINC001032727160 898021071 /nfs/dbraw/zinc/02/10/71/898021071.db2.gz ZMNGSIRLMQPNFC-KBPBESRZSA-N 1 2 272.352 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001077914708 898050183 /nfs/dbraw/zinc/05/01/83/898050183.db2.gz IRYSCYDGTGTOBV-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001077914708 898050194 /nfs/dbraw/zinc/05/01/94/898050194.db2.gz IRYSCYDGTGTOBV-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)OCC ZINC001272889131 898124019 /nfs/dbraw/zinc/12/40/19/898124019.db2.gz IRWADUCGDVBYLG-OAHLLOKOSA-N 1 2 278.352 0.640 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)OCC ZINC001272889131 898124026 /nfs/dbraw/zinc/12/40/26/898124026.db2.gz IRWADUCGDVBYLG-OAHLLOKOSA-N 1 2 278.352 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001077971713 898128674 /nfs/dbraw/zinc/12/86/74/898128674.db2.gz TZKOAMATFFCPDX-CHWSQXEVSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001077971713 898128679 /nfs/dbraw/zinc/12/86/79/898128679.db2.gz TZKOAMATFFCPDX-CHWSQXEVSA-N 1 2 262.353 0.217 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001078200814 898301014 /nfs/dbraw/zinc/30/10/14/898301014.db2.gz RVDACTMRGQRMMD-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001078200814 898301028 /nfs/dbraw/zinc/30/10/28/898301028.db2.gz RVDACTMRGQRMMD-VXGBXAGGSA-N 1 2 293.392 0.558 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001078251560 898315256 /nfs/dbraw/zinc/31/52/56/898315256.db2.gz RURKLXHVSRBJRL-NUJGCVRESA-N 1 2 298.386 0.685 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001078251560 898315279 /nfs/dbraw/zinc/31/52/79/898315279.db2.gz RURKLXHVSRBJRL-NUJGCVRESA-N 1 2 298.386 0.685 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)cs1 ZINC001032806154 898391231 /nfs/dbraw/zinc/39/12/31/898391231.db2.gz MSHVHWDMGPSMIR-QWRGUYRKSA-N 1 2 291.376 0.932 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)cs1 ZINC001032806154 898391243 /nfs/dbraw/zinc/39/12/43/898391243.db2.gz MSHVHWDMGPSMIR-QWRGUYRKSA-N 1 2 291.376 0.932 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cccs1)C2 ZINC001272929233 898449060 /nfs/dbraw/zinc/44/90/60/898449060.db2.gz OALQLIFVACOFMJ-UHFFFAOYSA-N 1 2 276.361 0.795 20 30 CCEDLO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001485995136 898582399 /nfs/dbraw/zinc/58/23/99/898582399.db2.gz HAGWJEREFVFHIM-RKDXNWHRSA-N 1 2 286.269 0.920 20 30 CCEDLO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001485995136 898582412 /nfs/dbraw/zinc/58/24/12/898582412.db2.gz HAGWJEREFVFHIM-RKDXNWHRSA-N 1 2 286.269 0.920 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337217 898802900 /nfs/dbraw/zinc/80/29/00/898802900.db2.gz ICCVPTSIUQXQJB-DTWKUNHWSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486337217 898802907 /nfs/dbraw/zinc/80/29/07/898802907.db2.gz ICCVPTSIUQXQJB-DTWKUNHWSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486337217 898802918 /nfs/dbraw/zinc/80/29/18/898802918.db2.gz ICCVPTSIUQXQJB-DTWKUNHWSA-N 1 2 284.253 0.271 20 30 CCEDLO C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486337217 898802930 /nfs/dbraw/zinc/80/29/30/898802930.db2.gz ICCVPTSIUQXQJB-DTWKUNHWSA-N 1 2 284.253 0.271 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)[C@H]1C ZINC001397796820 914380035 /nfs/dbraw/zinc/38/00/35/914380035.db2.gz IBZLYOCPGVFTCT-GRYCIOLGSA-N 1 2 290.791 0.979 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](COC)OC)[C@H]1C ZINC001397796820 914380051 /nfs/dbraw/zinc/38/00/51/914380051.db2.gz IBZLYOCPGVFTCT-GRYCIOLGSA-N 1 2 290.791 0.979 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1C ZINC001489285073 900457897 /nfs/dbraw/zinc/45/78/97/900457897.db2.gz DGCOMMOSNXCIBS-MBNYWOFBSA-N 1 2 299.390 0.862 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1C ZINC001489285073 900457899 /nfs/dbraw/zinc/45/78/99/900457899.db2.gz DGCOMMOSNXCIBS-MBNYWOFBSA-N 1 2 299.390 0.862 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001490448701 900623186 /nfs/dbraw/zinc/62/31/86/900623186.db2.gz CGDHVTLMPVADCZ-JTQLQIEISA-N 1 2 285.775 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001490448701 900623195 /nfs/dbraw/zinc/62/31/95/900623195.db2.gz CGDHVTLMPVADCZ-JTQLQIEISA-N 1 2 285.775 0.585 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC2CCC2)CC1 ZINC001490487173 900636548 /nfs/dbraw/zinc/63/65/48/900636548.db2.gz YNYUYHXIVZWHNR-UHFFFAOYSA-N 1 2 264.373 0.434 20 30 CCEDLO CCO[C@@H](CC)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323191299 901033286 /nfs/dbraw/zinc/03/32/86/901033286.db2.gz HQQBSOUOYRPLMU-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO CCO[C@@H](CC)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323191299 901033297 /nfs/dbraw/zinc/03/32/97/901033297.db2.gz HQQBSOUOYRPLMU-KBPBESRZSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC001327554858 914616116 /nfs/dbraw/zinc/61/61/16/914616116.db2.gz OJTIIFOLODJDBP-UHFFFAOYSA-N 1 2 272.326 0.009 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC001327554858 914616130 /nfs/dbraw/zinc/61/61/30/914616130.db2.gz OJTIIFOLODJDBP-UHFFFAOYSA-N 1 2 272.326 0.009 20 30 CCEDLO Cn1c[nH+]c(CCNS(=O)(=O)CC2(C#N)CCCC2)c1 ZINC001413371068 902911468 /nfs/dbraw/zinc/91/14/68/902911468.db2.gz TUZHHGMSNQJTOY-UHFFFAOYSA-N 1 2 296.396 0.966 20 30 CCEDLO N#CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001413785802 903656178 /nfs/dbraw/zinc/65/61/78/903656178.db2.gz LAJZIFRLRQMFSP-GHMZBOCLSA-N 1 2 274.324 0.950 20 30 CCEDLO N#CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001413785802 903656189 /nfs/dbraw/zinc/65/61/89/903656189.db2.gz LAJZIFRLRQMFSP-GHMZBOCLSA-N 1 2 274.324 0.950 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)N(C)CC#N ZINC001329575720 903810686 /nfs/dbraw/zinc/81/06/86/903810686.db2.gz VZOGUSHOGLRYTD-GHMZBOCLSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)N(C)CC#N ZINC001329575720 903810692 /nfs/dbraw/zinc/81/06/92/903810692.db2.gz VZOGUSHOGLRYTD-GHMZBOCLSA-N 1 2 263.345 0.548 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 ZINC001280889603 904165168 /nfs/dbraw/zinc/16/51/68/904165168.db2.gz PCRYSDCGTXKLPS-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282135255 904421345 /nfs/dbraw/zinc/42/13/45/904421345.db2.gz YFOZEFBHDCGMED-MNOVXSKESA-N 1 2 294.403 0.795 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001282506206 904494490 /nfs/dbraw/zinc/49/44/90/904494490.db2.gz VKWZPUGRFHAYAN-STQMWFEESA-N 1 2 282.384 0.398 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](CC)OC)C1 ZINC001282510352 904498801 /nfs/dbraw/zinc/49/88/01/904498801.db2.gz UIVOFPGCYZPEQU-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001282524005 904500325 /nfs/dbraw/zinc/50/03/25/904500325.db2.gz UIOWEBMZCWABRO-QWHCGFSZSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCCC)C1 ZINC001282690301 904521404 /nfs/dbraw/zinc/52/14/04/904521404.db2.gz RJALCHYGVHYHDA-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001283793936 905020385 /nfs/dbraw/zinc/02/03/85/905020385.db2.gz YJMIDQPHZGGQQG-MWLCHTKSSA-N 1 2 295.387 0.453 20 30 CCEDLO C=CCCC(=O)N[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001283950295 905094664 /nfs/dbraw/zinc/09/46/64/905094664.db2.gz PCNHVXWTFLKUFU-CYBMUJFWSA-N 1 2 290.367 0.860 20 30 CCEDLO CC#CC[N@@H+](CCNC(=O)C(=O)C(C)(C)C)CCOC ZINC001284656654 905408895 /nfs/dbraw/zinc/40/88/95/905408895.db2.gz UZUJSPRGZDGKCN-UHFFFAOYSA-N 1 2 282.384 0.690 20 30 CCEDLO CC#CC[N@H+](CCNC(=O)C(=O)C(C)(C)C)CCOC ZINC001284656654 905408902 /nfs/dbraw/zinc/40/89/02/905408902.db2.gz UZUJSPRGZDGKCN-UHFFFAOYSA-N 1 2 282.384 0.690 20 30 CCEDLO C=CCC1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001292935883 906370856 /nfs/dbraw/zinc/37/08/56/906370856.db2.gz IWECNIWHNDISTB-UHFFFAOYSA-N 1 2 290.367 0.862 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001293847386 906520280 /nfs/dbraw/zinc/52/02/80/906520280.db2.gz WBGMMMQWUNKGBS-UHFFFAOYSA-N 1 2 272.264 0.702 20 30 CCEDLO Cc1cccc(C[NH+]2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001380581756 906835931 /nfs/dbraw/zinc/83/59/31/906835931.db2.gz PHLISCKEAOFHQV-ZDUSSCGKSA-N 1 2 287.363 0.818 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001297146745 907029227 /nfs/dbraw/zinc/02/92/27/907029227.db2.gz BRPDPPVZGOTWCA-QWRGUYRKSA-N 1 2 290.367 0.737 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC001297370164 907063784 /nfs/dbraw/zinc/06/37/84/907063784.db2.gz SLFXOFPYAWUNEU-CHWSQXEVSA-N 1 2 283.335 0.670 20 30 CCEDLO C#Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC001337777119 921292685 /nfs/dbraw/zinc/29/26/85/921292685.db2.gz WFCSLRFSZDTVJJ-CYBMUJFWSA-N 1 2 298.390 0.852 20 30 CCEDLO COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)on1 ZINC001381506164 907259919 /nfs/dbraw/zinc/25/99/19/907259919.db2.gz DEJWHTCPZCIDGL-UWVGGRQHSA-N 1 2 280.328 0.779 20 30 CCEDLO COc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)on1 ZINC001381506164 907259939 /nfs/dbraw/zinc/25/99/39/907259939.db2.gz DEJWHTCPZCIDGL-UWVGGRQHSA-N 1 2 280.328 0.779 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001381534238 907275442 /nfs/dbraw/zinc/27/54/42/907275442.db2.gz SJJAYYLRHDRULR-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001381534238 907275453 /nfs/dbraw/zinc/27/54/53/907275453.db2.gz SJJAYYLRHDRULR-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(C)no1 ZINC001382545297 907785091 /nfs/dbraw/zinc/78/50/91/907785091.db2.gz UAXJUSSQWJMNPY-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(C)no1 ZINC001382545297 907785102 /nfs/dbraw/zinc/78/51/02/907785102.db2.gz UAXJUSSQWJMNPY-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC(=O)NCC ZINC001492230815 907786662 /nfs/dbraw/zinc/78/66/62/907786662.db2.gz JUNYYEWVTFCUNC-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC(=O)NCC ZINC001492230815 907786669 /nfs/dbraw/zinc/78/66/69/907786669.db2.gz JUNYYEWVTFCUNC-UHFFFAOYSA-N 1 2 261.753 0.313 20 30 CCEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C)C1 ZINC001338058089 921354692 /nfs/dbraw/zinc/35/46/92/921354692.db2.gz AQCKWFKIPIGYFG-LBPRGKRZSA-N 1 2 284.367 0.989 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492399053 907899681 /nfs/dbraw/zinc/89/96/81/907899681.db2.gz CIZVMOZDRORAQQ-CQSZACIVSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492399053 907899694 /nfs/dbraw/zinc/89/96/94/907899694.db2.gz CIZVMOZDRORAQQ-CQSZACIVSA-N 1 2 269.389 0.725 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C)C1CC1 ZINC001316779701 908769735 /nfs/dbraw/zinc/76/97/35/908769735.db2.gz LBERFAHEVPOJGE-LOWVWBTDSA-N 1 2 292.383 0.251 20 30 CCEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C)C1CC1 ZINC001316779701 908769748 /nfs/dbraw/zinc/76/97/48/908769748.db2.gz LBERFAHEVPOJGE-LOWVWBTDSA-N 1 2 292.383 0.251 20 30 CCEDLO C[N@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1cnon1 ZINC001316819581 908787197 /nfs/dbraw/zinc/78/71/97/908787197.db2.gz IJAXGMMZSADHDL-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1cnon1 ZINC001316819581 908787204 /nfs/dbraw/zinc/78/72/04/908787204.db2.gz IJAXGMMZSADHDL-UHFFFAOYSA-N 1 2 288.311 0.521 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnnn1C ZINC001316888725 908820108 /nfs/dbraw/zinc/82/01/08/908820108.db2.gz OASIWCONHIIHBQ-MNOVXSKESA-N 1 2 293.375 0.259 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnnn1C ZINC001316888725 908820127 /nfs/dbraw/zinc/82/01/27/908820127.db2.gz OASIWCONHIIHBQ-MNOVXSKESA-N 1 2 293.375 0.259 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCOCC)C1 ZINC001316994206 908908395 /nfs/dbraw/zinc/90/83/95/908908395.db2.gz JRIPIBLCXROWSD-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCOCC)C1 ZINC001316994206 908908405 /nfs/dbraw/zinc/90/84/05/908908405.db2.gz JRIPIBLCXROWSD-LBPRGKRZSA-N 1 2 290.791 0.983 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001338424393 921464160 /nfs/dbraw/zinc/46/41/60/921464160.db2.gz UCLBCGPLBMCBSA-GARJFASQSA-N 1 2 263.345 0.011 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001338424393 921464166 /nfs/dbraw/zinc/46/41/66/921464166.db2.gz UCLBCGPLBMCBSA-GARJFASQSA-N 1 2 263.345 0.011 20 30 CCEDLO Cc1cccc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1 ZINC001317437169 909199275 /nfs/dbraw/zinc/19/92/75/909199275.db2.gz OHDNIIRQRCLANR-UHFFFAOYSA-N 1 2 288.351 0.296 20 30 CCEDLO Cc1cccc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1 ZINC001317437169 909199278 /nfs/dbraw/zinc/19/92/78/909199278.db2.gz OHDNIIRQRCLANR-UHFFFAOYSA-N 1 2 288.351 0.296 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001317457286 909233099 /nfs/dbraw/zinc/23/30/99/909233099.db2.gz QECWSBIRVWTQOD-LLVKDONJSA-N 1 2 295.387 0.259 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001317457286 909233113 /nfs/dbraw/zinc/23/31/13/909233113.db2.gz QECWSBIRVWTQOD-LLVKDONJSA-N 1 2 295.387 0.259 20 30 CCEDLO CCCN(CC#N)CCNC(=O)CCn1cc[nH+]c1 ZINC001317542619 909312507 /nfs/dbraw/zinc/31/25/07/909312507.db2.gz FQIPJMGIZWHIFX-UHFFFAOYSA-N 1 2 263.345 0.625 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H](C)C#N ZINC001388399219 909470060 /nfs/dbraw/zinc/47/00/60/909470060.db2.gz HLZHHFIXPGBNDP-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001317759766 909483562 /nfs/dbraw/zinc/48/35/62/909483562.db2.gz SVPOFGVMAUNCBA-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001317759766 909483570 /nfs/dbraw/zinc/48/35/70/909483570.db2.gz SVPOFGVMAUNCBA-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2nonc2C)C1 ZINC001317994018 909564515 /nfs/dbraw/zinc/56/45/15/909564515.db2.gz JOQKMSNIENZMQK-LBPRGKRZSA-N 1 2 292.339 0.222 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2nonc2C)C1 ZINC001317994018 909564526 /nfs/dbraw/zinc/56/45/26/909564526.db2.gz JOQKMSNIENZMQK-LBPRGKRZSA-N 1 2 292.339 0.222 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CNC(=O)c2ccoc2C)C1 ZINC001318024967 909587290 /nfs/dbraw/zinc/58/72/90/909587290.db2.gz HJXCNCGZQLDHFS-UHFFFAOYSA-N 1 2 289.335 0.142 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](OCC)C2CCOCC2)C1 ZINC001318047633 909595390 /nfs/dbraw/zinc/59/53/90/909595390.db2.gz LYUXHFVEWQUXQG-HNNXBMFYSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CCC(C)C)C1 ZINC001318101626 909618237 /nfs/dbraw/zinc/61/82/37/909618237.db2.gz WAZUREMEUKDAHN-UHFFFAOYSA-N 1 2 281.400 0.773 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2CC=CC2)C1 ZINC001318110311 909627414 /nfs/dbraw/zinc/62/74/14/909627414.db2.gz OABMTSHYVFGTMB-UHFFFAOYSA-N 1 2 277.368 0.303 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C2(C)CCCC2)C1 ZINC001318139320 909639470 /nfs/dbraw/zinc/63/94/70/909639470.db2.gz BNYMWRBZEBAVMH-UHFFFAOYSA-N 1 2 291.395 0.364 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@](C)(C=C)CC)C1 ZINC001318149223 909643418 /nfs/dbraw/zinc/64/34/18/909643418.db2.gz FPDWANCMWGOGCY-MRXNPFEDSA-N 1 2 293.411 0.939 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001318210160 909665998 /nfs/dbraw/zinc/66/59/98/909665998.db2.gz VUYVUOQFSDMQTG-RDBSUJKOSA-N 1 2 291.395 0.729 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001318210160 909666002 /nfs/dbraw/zinc/66/60/02/909666002.db2.gz VUYVUOQFSDMQTG-RDBSUJKOSA-N 1 2 291.395 0.729 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001318240237 909674302 /nfs/dbraw/zinc/67/43/02/909674302.db2.gz JJKJXXFNXGXKHT-OLZOCXBDSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001318240237 909674310 /nfs/dbraw/zinc/67/43/10/909674310.db2.gz JJKJXXFNXGXKHT-OLZOCXBDSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC001318311006 909698990 /nfs/dbraw/zinc/69/89/90/909698990.db2.gz XUJOZLMOZWAGOC-CYBMUJFWSA-N 1 2 288.351 0.188 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC001318311006 909698999 /nfs/dbraw/zinc/69/89/99/909698999.db2.gz XUJOZLMOZWAGOC-CYBMUJFWSA-N 1 2 288.351 0.188 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001319397704 910131247 /nfs/dbraw/zinc/13/12/47/910131247.db2.gz GCGPQLMCQOPJIA-UHFFFAOYSA-N 1 2 291.395 0.446 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001319946479 910367490 /nfs/dbraw/zinc/36/74/90/910367490.db2.gz HERXCBRNTBBWMP-DGCLKSJQSA-N 1 2 277.372 0.842 20 30 CCEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001319946479 910367506 /nfs/dbraw/zinc/36/75/06/910367506.db2.gz HERXCBRNTBBWMP-DGCLKSJQSA-N 1 2 277.372 0.842 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccsn1 ZINC001320010335 910413865 /nfs/dbraw/zinc/41/38/65/910413865.db2.gz VGAZGGPETJMTBT-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccsn1 ZINC001320010335 910413872 /nfs/dbraw/zinc/41/38/72/910413872.db2.gz VGAZGGPETJMTBT-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H](C)C#N ZINC001390544745 910506409 /nfs/dbraw/zinc/50/64/09/910506409.db2.gz YCPUHFRPNNTYNV-MNOVXSKESA-N 1 2 277.328 0.054 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320232233 910524658 /nfs/dbraw/zinc/52/46/58/910524658.db2.gz NRDBTYNRGYWNRU-RNFRBKRXSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001320232233 910524660 /nfs/dbraw/zinc/52/46/60/910524660.db2.gz NRDBTYNRGYWNRU-RNFRBKRXSA-N 1 2 258.215 0.140 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001320735095 910830454 /nfs/dbraw/zinc/83/04/54/910830454.db2.gz RPRDQEGGHSCIAR-NSHDSACASA-N 1 2 294.355 0.354 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)Cc1n[nH]c(C)n1 ZINC001321053800 911048414 /nfs/dbraw/zinc/04/84/14/911048414.db2.gz ZZGUOEGYHHEUJX-ARJAWSKDSA-N 1 2 283.763 0.670 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001321169078 911132880 /nfs/dbraw/zinc/13/28/80/911132880.db2.gz GJQAAVYKFCAVIL-AAEUAGOBSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001392634995 912011009 /nfs/dbraw/zinc/01/10/09/912011009.db2.gz BMHHBQJZCOEXKB-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001392634995 912011018 /nfs/dbraw/zinc/01/10/18/912011018.db2.gz BMHHBQJZCOEXKB-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC001328288975 915081976 /nfs/dbraw/zinc/08/19/76/915081976.db2.gz JGCTVBHYLBFPLO-NSHDSACASA-N 1 2 257.297 0.590 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnnn1CC ZINC001399489572 915196817 /nfs/dbraw/zinc/19/68/17/915196817.db2.gz OYEAHIDPESKGHF-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnnn1CC ZINC001399489572 915196827 /nfs/dbraw/zinc/19/68/27/915196827.db2.gz OYEAHIDPESKGHF-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001328482727 915226816 /nfs/dbraw/zinc/22/68/16/915226816.db2.gz QHLKTEUSCAAJCQ-SNVBAGLBSA-N 1 2 286.339 0.235 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001329996402 916346709 /nfs/dbraw/zinc/34/67/09/916346709.db2.gz CHXCOQRBAOIMCU-QWRGUYRKSA-N 1 2 279.384 0.346 20 30 CCEDLO C[C@@H](C[NH2+]Cc1nc(C(F)F)no1)NC(=O)[C@@H](C)C#N ZINC001401670843 916449285 /nfs/dbraw/zinc/44/92/85/916449285.db2.gz IPVHQTCDAFZBOO-BQBZGAKWSA-N 1 2 287.270 0.761 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C3CC3)o2)nn1 ZINC001330773994 916853062 /nfs/dbraw/zinc/85/30/62/916853062.db2.gz GTOSRTAHSASRNK-UHFFFAOYSA-N 1 2 272.312 0.700 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CC2CC2)CCC[N@@H+]1CC(=O)NCC#N ZINC001332160170 917918226 /nfs/dbraw/zinc/91/82/26/917918226.db2.gz QMRWFULASLAMSZ-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CC2CC2)CCC[N@H+]1CC(=O)NCC#N ZINC001332160170 917918239 /nfs/dbraw/zinc/91/82/39/917918239.db2.gz QMRWFULASLAMSZ-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C=C[C@@H](COC)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001332961180 918565976 /nfs/dbraw/zinc/56/59/76/918565976.db2.gz GYMIWWQMMVRITK-AAEUAGOBSA-N 1 2 266.345 0.748 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001405098767 918597870 /nfs/dbraw/zinc/59/78/70/918597870.db2.gz KNBWMVSZGQVLFY-NEPJUHHUSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001405098767 918597881 /nfs/dbraw/zinc/59/78/81/918597881.db2.gz KNBWMVSZGQVLFY-NEPJUHHUSA-N 1 2 290.371 0.490 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H]3CCO[C@H]3C2=O)C1 ZINC001333301631 918784438 /nfs/dbraw/zinc/78/44/38/918784438.db2.gz ZQGPPGCUZHPLPJ-YNEHKIRRSA-N 1 2 263.341 0.817 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H]3CCO[C@H]3C2=O)C1 ZINC001333301631 918784446 /nfs/dbraw/zinc/78/44/46/918784446.db2.gz ZQGPPGCUZHPLPJ-YNEHKIRRSA-N 1 2 263.341 0.817 20 30 CCEDLO C#CC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cn2)CC1 ZINC001335552256 920272572 /nfs/dbraw/zinc/27/25/72/920272572.db2.gz QVOOMFWKVZWDGP-UHFFFAOYSA-N 1 2 293.392 0.995 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC001336021453 920568344 /nfs/dbraw/zinc/56/83/44/920568344.db2.gz PUDFRRQHBIHZOK-GFCCVEGCSA-N 1 2 292.360 0.244 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001339776796 921825183 /nfs/dbraw/zinc/82/51/83/921825183.db2.gz ALXCMQBWYBZTRU-STQMWFEESA-N 1 2 287.367 0.108 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001339776796 921825194 /nfs/dbraw/zinc/82/51/94/921825194.db2.gz ALXCMQBWYBZTRU-STQMWFEESA-N 1 2 287.367 0.108 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cocn3)n2C)CC1 ZINC001340005606 921910517 /nfs/dbraw/zinc/91/05/17/921910517.db2.gz AJWIDUVRQKFTDK-UHFFFAOYSA-N 1 2 272.312 0.225 20 30 CCEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001340048759 921932350 /nfs/dbraw/zinc/93/23/50/921932350.db2.gz QPBZHJILRIFATK-UHFFFAOYSA-N 1 2 258.329 0.692 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)/C=C\CC)n2C)CC1 ZINC001341402671 922467041 /nfs/dbraw/zinc/46/70/41/922467041.db2.gz VZIUTPTVEPQXFI-FMFIFOJESA-N 1 2 289.383 0.570 20 30 CCEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001341780267 922668282 /nfs/dbraw/zinc/66/82/82/922668282.db2.gz NZCDWTAKNWSALJ-CHWSQXEVSA-N 1 2 279.384 0.764 20 30 CCEDLO C#C[C@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001342951651 923147171 /nfs/dbraw/zinc/14/71/71/923147171.db2.gz IUKMKPODQATLET-ILXRZTDVSA-N 1 2 293.363 0.821 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001346199045 924107256 /nfs/dbraw/zinc/10/72/56/924107256.db2.gz LIQLMFRXOVWINB-QWHCGFSZSA-N 1 2 295.383 0.721 20 30 CCEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001346199045 924107263 /nfs/dbraw/zinc/10/72/63/924107263.db2.gz LIQLMFRXOVWINB-QWHCGFSZSA-N 1 2 295.383 0.721 20 30 CCEDLO CC(C)(C(=O)N1CC[C@@](O)(CC#N)C1)c1c[nH+]c[nH]1 ZINC001349455264 924965018 /nfs/dbraw/zinc/96/50/18/924965018.db2.gz KAYDJUOMDKYJHD-ZDUSSCGKSA-N 1 2 262.313 0.564 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349867456 925081058 /nfs/dbraw/zinc/08/10/58/925081058.db2.gz MSASLXFFCHRWOM-ZIAGYGMSSA-N 1 2 298.431 0.249 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1[nH+]ccn1C ZINC001352879621 925664316 /nfs/dbraw/zinc/66/43/16/925664316.db2.gz ZSLKULYZMPMHPB-LBPRGKRZSA-N 1 2 278.356 0.550 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001353567883 925873992 /nfs/dbraw/zinc/87/39/92/925873992.db2.gz DVBLHJAGZLJFAD-HAQNSBGRSA-N 1 2 276.340 0.613 20 30 CCEDLO C[C@H](Nc1nnccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC001354103021 926016100 /nfs/dbraw/zinc/01/61/00/926016100.db2.gz WNIGOMJDKWSDBU-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO CN(CCNC(=O)C#CC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC001355580926 926287006 /nfs/dbraw/zinc/28/70/06/926287006.db2.gz JJYQGPWZPACJLO-UHFFFAOYSA-N 1 2 290.367 0.507 20 30 CCEDLO C=CCO[C@H](C)C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001355851276 926319484 /nfs/dbraw/zinc/31/94/84/926319484.db2.gz JMXMROAXTYTTBQ-LLVKDONJSA-N 1 2 294.355 0.118 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c(C)n3)n2CC)CC1 ZINC001356440044 926381799 /nfs/dbraw/zinc/38/17/99/926381799.db2.gz WCZLRLDFRYETPW-UHFFFAOYSA-N 1 2 299.382 0.752 20 30 CCEDLO Cc1cc(N[C@@H](CO)C[NH+]2CCOCC2)ncc1C#N ZINC001413889677 926928317 /nfs/dbraw/zinc/92/83/17/926928317.db2.gz BNVZROXBVGPIHU-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO C=C(Cl)C[NH2+]C1(CNC(=O)CCc2nc[nH]n2)CC1 ZINC001423195584 927729037 /nfs/dbraw/zinc/72/90/37/927729037.db2.gz QTINSIZGRZJCTO-UHFFFAOYSA-N 1 2 283.763 0.728 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001423201493 927737032 /nfs/dbraw/zinc/73/70/32/927737032.db2.gz SMSCBWBMEOMGDS-MNOVXSKESA-N 1 2 273.340 0.936 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(C#N)c1 ZINC001363054002 928813609 /nfs/dbraw/zinc/81/36/09/928813609.db2.gz PRBLNEBPUTWWTE-LBPRGKRZSA-N 1 2 270.292 0.755 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001429248591 929422252 /nfs/dbraw/zinc/42/22/52/929422252.db2.gz ZMVSUVYXJUABRC-MXWKQRLJSA-N 1 2 289.339 0.217 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001443537492 929640206 /nfs/dbraw/zinc/64/02/06/929640206.db2.gz OSHIUQZQYLFKDK-GMTAPVOTSA-N 1 2 289.339 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372187064 929761705 /nfs/dbraw/zinc/76/17/05/929761705.db2.gz CEMZBMSZYLCHPL-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cn(CC)nn1 ZINC001372685480 929914224 /nfs/dbraw/zinc/91/42/24/929914224.db2.gz WCAZHWJNZDIOTB-GFCCVEGCSA-N 1 2 292.387 0.786 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cn(CC)nn1 ZINC001372685480 929914231 /nfs/dbraw/zinc/91/42/31/929914231.db2.gz WCAZHWJNZDIOTB-GFCCVEGCSA-N 1 2 292.387 0.786 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001374263917 930470488 /nfs/dbraw/zinc/47/04/88/930470488.db2.gz OFCMZBUCGCQUMJ-GFCCVEGCSA-N 1 2 288.351 0.189 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001374309557 930484226 /nfs/dbraw/zinc/48/42/26/930484226.db2.gz ALLYQCGRLAYQHZ-VIFPVBQESA-N 1 2 271.752 0.536 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001447994680 930777711 /nfs/dbraw/zinc/77/77/11/930777711.db2.gz RVPSLBAPQKKMGD-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001447994680 930777716 /nfs/dbraw/zinc/77/77/16/930777716.db2.gz RVPSLBAPQKKMGD-SNVBAGLBSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001375823571 930985858 /nfs/dbraw/zinc/98/58/58/930985858.db2.gz KMNCAEJNSQPCKU-ZDUSSCGKSA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001375823571 930985865 /nfs/dbraw/zinc/98/58/65/930985865.db2.gz KMNCAEJNSQPCKU-ZDUSSCGKSA-N 1 2 297.790 0.989 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnco2)C1 ZINC001376053196 931036995 /nfs/dbraw/zinc/03/69/95/931036995.db2.gz PWRIWHGOYKGIHR-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnco2)C1 ZINC001376053196 931037000 /nfs/dbraw/zinc/03/70/00/931037000.db2.gz PWRIWHGOYKGIHR-GFCCVEGCSA-N 1 2 285.731 0.594 20 30 CCEDLO C#CC[N@@H+](CCC(=O)OC)C1CC[NH+](CCC(=O)[O-])CC1 ZINC001588469571 983502402 /nfs/dbraw/zinc/50/24/02/983502402.db2.gz LQAWEPYYKPTJKB-UHFFFAOYSA-N 1 2 296.367 0.424 20 30 CCEDLO C#CC[N@H+](CCC(=O)OC)C1CC[NH+](CCC(=O)[O-])CC1 ZINC001588469571 983502404 /nfs/dbraw/zinc/50/24/04/983502404.db2.gz LQAWEPYYKPTJKB-UHFFFAOYSA-N 1 2 296.367 0.424 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1F ZINC000599664473 361777373 /nfs/dbraw/zinc/77/73/73/361777373.db2.gz OFHUCWORXTZLGL-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1F ZINC000599664473 361777376 /nfs/dbraw/zinc/77/73/76/361777376.db2.gz OFHUCWORXTZLGL-GFCCVEGCSA-N 1 2 277.299 0.774 20 30 CCEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC(=O)N1C ZINC000337545602 214148014 /nfs/dbraw/zinc/14/80/14/214148014.db2.gz NYGHBMMJDYZKAW-NSHDSACASA-N 1 2 283.335 0.868 20 30 CCEDLO COC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691387 361789632 /nfs/dbraw/zinc/78/96/32/361789632.db2.gz ASWACJKJVBWHAZ-TZMCWYRMSA-N 1 2 295.383 0.675 20 30 CCEDLO COC[C@@]1(C)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000599691387 361789634 /nfs/dbraw/zinc/78/96/34/361789634.db2.gz ASWACJKJVBWHAZ-TZMCWYRMSA-N 1 2 295.383 0.675 20 30 CCEDLO N#Cc1ccncc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000094132248 349561328 /nfs/dbraw/zinc/56/13/28/349561328.db2.gz KKSWFAHXOBKPHX-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000600420195 361955634 /nfs/dbraw/zinc/95/56/34/361955634.db2.gz JWNXZDWMMGXNKP-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000600420195 361955641 /nfs/dbraw/zinc/95/56/41/361955641.db2.gz JWNXZDWMMGXNKP-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000115574399 529411417 /nfs/dbraw/zinc/41/14/17/529411417.db2.gz FITGZAQEGJZICR-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000115574399 529411418 /nfs/dbraw/zinc/41/14/18/529411418.db2.gz FITGZAQEGJZICR-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000347990150 529420735 /nfs/dbraw/zinc/42/07/35/529420735.db2.gz ANYKEQWFOGNKLH-YPMHNXCESA-N 1 2 283.372 0.926 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000103149298 349691921 /nfs/dbraw/zinc/69/19/21/349691921.db2.gz CPWXBTSNDBAAIY-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000103149298 349691922 /nfs/dbraw/zinc/69/19/22/349691922.db2.gz CPWXBTSNDBAAIY-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)nc(C2CC2)n1 ZINC000600862937 362081695 /nfs/dbraw/zinc/08/16/95/362081695.db2.gz DKRFWNOFVOZILJ-LBPRGKRZSA-N 1 2 273.340 0.390 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)nc(C2CC2)n1 ZINC000600862937 362081701 /nfs/dbraw/zinc/08/17/01/362081701.db2.gz DKRFWNOFVOZILJ-LBPRGKRZSA-N 1 2 273.340 0.390 20 30 CCEDLO N#CC1(C(=O)NCC[NH+]2CCOCC2)CC2(CC2)C1 ZINC000600890379 362089445 /nfs/dbraw/zinc/08/94/45/362089445.db2.gz ZBGPZAIIWBVSKD-UHFFFAOYSA-N 1 2 263.341 0.519 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972632 362109024 /nfs/dbraw/zinc/10/90/24/362109024.db2.gz MEZJWIUELFMBGB-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972632 362109027 /nfs/dbraw/zinc/10/90/27/362109027.db2.gz MEZJWIUELFMBGB-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO Cc1ccnc(N[C@H](CO)C[NH+]2CCOCC2)c1C#N ZINC000601176015 362167042 /nfs/dbraw/zinc/16/70/42/362167042.db2.gz CXOXKJZAZUQCIG-LBPRGKRZSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1C#N ZINC000291973887 136406916 /nfs/dbraw/zinc/40/69/16/136406916.db2.gz PGKWLQGWFKFJOS-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC000332231643 529786155 /nfs/dbraw/zinc/78/61/55/529786155.db2.gz MGXJWPUTDTUDAK-HUUCEWRRSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC000332231643 529786157 /nfs/dbraw/zinc/78/61/57/529786157.db2.gz MGXJWPUTDTUDAK-HUUCEWRRSA-N 1 2 285.347 0.908 20 30 CCEDLO C[C@@H](Oc1ccccn1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573566493 334947878 /nfs/dbraw/zinc/94/78/78/334947878.db2.gz BXCDKQGXOHGRCL-RISCZKNCSA-N 1 2 276.340 0.809 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCc1[nH+]ccn1CC ZINC000601470747 362284095 /nfs/dbraw/zinc/28/40/95/362284095.db2.gz MARBUEUHHGOIFR-UHFFFAOYSA-N 1 2 285.373 0.473 20 30 CCEDLO Cc1onc(CC(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000601733581 362371469 /nfs/dbraw/zinc/37/14/69/362371469.db2.gz GNUAEORCOJMEHE-NSHDSACASA-N 1 2 292.339 0.186 20 30 CCEDLO Cc1onc(CC(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000601733581 362371474 /nfs/dbraw/zinc/37/14/74/362371474.db2.gz GNUAEORCOJMEHE-NSHDSACASA-N 1 2 292.339 0.186 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000601995614 362452381 /nfs/dbraw/zinc/45/23/81/362452381.db2.gz HGSNEYUAVMGHML-SNVBAGLBSA-N 1 2 268.313 0.974 20 30 CCEDLO CCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000602331955 362588439 /nfs/dbraw/zinc/58/84/39/362588439.db2.gz IOJVNUXFXWUYDZ-ZDUSSCGKSA-N 1 2 263.345 0.556 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(CC2CC2)c1 ZINC000602331369 362589492 /nfs/dbraw/zinc/58/94/92/362589492.db2.gz CHTPTKRRBCCGFZ-CQSZACIVSA-N 1 2 275.356 0.867 20 30 CCEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000602608837 362711095 /nfs/dbraw/zinc/71/10/95/362711095.db2.gz XGSOMISIVZCNKU-QMMMGPOBSA-N 1 2 271.317 0.722 20 30 CCEDLO COCCN1CCC[N@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602628089 362720050 /nfs/dbraw/zinc/72/00/50/362720050.db2.gz BGDAILIRJXDYKH-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO COCCN1CCC[N@@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602628089 362720057 /nfs/dbraw/zinc/72/00/57/362720057.db2.gz BGDAILIRJXDYKH-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000602641133 362727333 /nfs/dbraw/zinc/72/73/33/362727333.db2.gz VANJTRODTRTZBE-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000602641133 362727335 /nfs/dbraw/zinc/72/73/35/362727335.db2.gz VANJTRODTRTZBE-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO N#CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000602642044 362728889 /nfs/dbraw/zinc/72/88/89/362728889.db2.gz HFSPYWLOTAYAIK-UHFFFAOYSA-N 1 2 271.367 0.789 20 30 CCEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)OC ZINC000602737442 362776307 /nfs/dbraw/zinc/77/63/07/362776307.db2.gz CJJUUDAUIKJUFS-QWRGUYRKSA-N 1 2 252.318 0.764 20 30 CCEDLO COC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)cn1C ZINC000602748198 362782230 /nfs/dbraw/zinc/78/22/30/362782230.db2.gz LKUWUVRQWNPKOG-UHFFFAOYSA-N 1 2 290.367 0.843 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602775896 362794824 /nfs/dbraw/zinc/79/48/24/362794824.db2.gz CUHLLVITIJXOKN-KGLIPLIRSA-N 1 2 270.373 0.760 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602775896 362794826 /nfs/dbraw/zinc/79/48/26/362794826.db2.gz CUHLLVITIJXOKN-KGLIPLIRSA-N 1 2 270.373 0.760 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602781019 362797381 /nfs/dbraw/zinc/79/73/81/362797381.db2.gz NCYFJPIVTUWJDM-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602781019 362797386 /nfs/dbraw/zinc/79/73/86/362797386.db2.gz NCYFJPIVTUWJDM-GFCCVEGCSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@H](C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)S(C)(=O)=O ZINC000602847341 362834883 /nfs/dbraw/zinc/83/48/83/362834883.db2.gz AKQIWPDYWZKXES-IJLUTSLNSA-N 1 2 273.402 0.338 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H](C)N1CC#N ZINC000602849525 362837062 /nfs/dbraw/zinc/83/70/62/362837062.db2.gz LYNRTPLGRVXTIO-AOOOYVTPSA-N 1 2 251.359 0.956 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cnns2)C[C@H](C)N1CC#N ZINC000602849525 362837065 /nfs/dbraw/zinc/83/70/65/362837065.db2.gz LYNRTPLGRVXTIO-AOOOYVTPSA-N 1 2 251.359 0.956 20 30 CCEDLO COCCCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854348 362840255 /nfs/dbraw/zinc/84/02/55/362840255.db2.gz BKFGJFFKUOXPOE-STQMWFEESA-N 1 2 282.388 0.057 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602862114 362846845 /nfs/dbraw/zinc/84/68/45/362846845.db2.gz IWYPFFLNGRPQJC-ZJUUUORDSA-N 1 2 254.334 0.748 20 30 CCEDLO N#CC1(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000602858703 362845689 /nfs/dbraw/zinc/84/56/89/362845689.db2.gz AERGUGVYOQHNLY-VIFPVBQESA-N 1 2 260.297 0.981 20 30 CCEDLO N#CC1(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000602858703 362845693 /nfs/dbraw/zinc/84/56/93/362845693.db2.gz AERGUGVYOQHNLY-VIFPVBQESA-N 1 2 260.297 0.981 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863879 362848922 /nfs/dbraw/zinc/84/89/22/362848922.db2.gz NSEHKKRXUVJPIN-TXEJJXNPSA-N 1 2 252.362 0.429 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863879 362848927 /nfs/dbraw/zinc/84/89/27/362848927.db2.gz NSEHKKRXUVJPIN-TXEJJXNPSA-N 1 2 252.362 0.429 20 30 CCEDLO C[C@H](C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)CS(C)(=O)=O ZINC000602864856 362849736 /nfs/dbraw/zinc/84/97/36/362849736.db2.gz QWEFTNCPVMSNJC-JHJVBQTASA-N 1 2 287.429 0.585 20 30 CCEDLO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343789860 137157506 /nfs/dbraw/zinc/15/75/06/137157506.db2.gz IAMJYTVWUDOJNT-GFCCVEGCSA-N 1 2 295.364 0.448 20 30 CCEDLO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343789860 137157507 /nfs/dbraw/zinc/15/75/07/137157507.db2.gz IAMJYTVWUDOJNT-GFCCVEGCSA-N 1 2 295.364 0.448 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000008309629 348011963 /nfs/dbraw/zinc/01/19/63/348011963.db2.gz HDBORUXOXJZYKN-DOMZBBRYSA-N 1 2 296.415 0.887 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000008309629 348011966 /nfs/dbraw/zinc/01/19/66/348011966.db2.gz HDBORUXOXJZYKN-DOMZBBRYSA-N 1 2 296.415 0.887 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N1CCCC1 ZINC000011501322 348017561 /nfs/dbraw/zinc/01/75/61/348017561.db2.gz DRRCHYOSWZDBGQ-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N1CCCC1 ZINC000011501322 348017563 /nfs/dbraw/zinc/01/75/63/348017563.db2.gz DRRCHYOSWZDBGQ-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)OCC)CC1 ZINC000016476068 348048502 /nfs/dbraw/zinc/04/85/02/348048502.db2.gz OTKRAWKLYVTVPF-UHFFFAOYSA-N 1 2 297.355 0.273 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC000028754121 348108629 /nfs/dbraw/zinc/10/86/29/348108629.db2.gz UQRWAMSJZNKGGY-UHFFFAOYSA-N 1 2 285.351 0.354 20 30 CCEDLO Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)c1C#N ZINC000273321158 192112354 /nfs/dbraw/zinc/11/23/54/192112354.db2.gz KHDUVAKOAWLAQL-LBPRGKRZSA-N 1 2 257.341 0.673 20 30 CCEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCC#N)cn1 ZINC000602939709 362900174 /nfs/dbraw/zinc/90/01/74/362900174.db2.gz CCEMUPRIZIYYSM-GFCCVEGCSA-N 1 2 261.329 0.528 20 30 CCEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCC#N)cn1 ZINC000602939709 362900179 /nfs/dbraw/zinc/90/01/79/362900179.db2.gz CCEMUPRIZIYYSM-GFCCVEGCSA-N 1 2 261.329 0.528 20 30 CCEDLO N#Cc1cccc(CNC(=O)NCC[NH+]2CCOCC2)c1 ZINC000047618030 348381715 /nfs/dbraw/zinc/38/17/15/348381715.db2.gz QXXKADLWJKYGEG-UHFFFAOYSA-N 1 2 288.351 0.690 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977963 362918275 /nfs/dbraw/zinc/91/82/75/362918275.db2.gz JDYMDKJTRACGGD-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977963 362918280 /nfs/dbraw/zinc/91/82/80/362918280.db2.gz JDYMDKJTRACGGD-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000347264187 137327813 /nfs/dbraw/zinc/32/78/13/137327813.db2.gz GHERGRQWWBGXLO-UHFFFAOYSA-N 1 2 299.334 0.666 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(CO)nnc2C1 ZINC000347264187 137327814 /nfs/dbraw/zinc/32/78/14/137327814.db2.gz GHERGRQWWBGXLO-UHFFFAOYSA-N 1 2 299.334 0.666 20 30 CCEDLO C#CCN(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000056626124 348593144 /nfs/dbraw/zinc/59/31/44/348593144.db2.gz SIHJNYQCGKRNEK-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C[C@H](C)C#N ZINC000066424770 348743337 /nfs/dbraw/zinc/74/33/37/348743337.db2.gz FVFWJEACISGCDR-OCCSQVGLSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C[C@H](C)C#N ZINC000066424770 348743338 /nfs/dbraw/zinc/74/33/38/348743338.db2.gz FVFWJEACISGCDR-OCCSQVGLSA-N 1 2 294.399 0.595 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000068660456 348818768 /nfs/dbraw/zinc/81/87/68/348818768.db2.gz YVVOLCNSPMBNTP-UHFFFAOYSA-N 1 2 293.758 0.475 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000073105905 348943360 /nfs/dbraw/zinc/94/33/60/348943360.db2.gz SQXMGWPCSJGLPT-DOMZBBRYSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000073105905 348943361 /nfs/dbraw/zinc/94/33/61/348943361.db2.gz SQXMGWPCSJGLPT-DOMZBBRYSA-N 1 2 294.399 0.593 20 30 CCEDLO CN(Cc1ccccc1C#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245129 349303727 /nfs/dbraw/zinc/30/37/27/349303727.db2.gz OTTXRXXMVHITNL-INIZCTEOSA-N 1 2 289.379 0.683 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)CC1 ZINC000132326070 350304551 /nfs/dbraw/zinc/30/45/51/350304551.db2.gz VONRXOGOBDOOJW-UHFFFAOYSA-N 1 2 286.379 0.291 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cccnc2)CC1 ZINC000132326070 350304552 /nfs/dbraw/zinc/30/45/52/350304552.db2.gz VONRXOGOBDOOJW-UHFFFAOYSA-N 1 2 286.379 0.291 20 30 CCEDLO C=CCCOCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000141809375 350455788 /nfs/dbraw/zinc/45/57/88/350455788.db2.gz SPVOXGODQACBQX-UHFFFAOYSA-N 1 2 270.373 0.806 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)o1 ZINC000162345282 350741385 /nfs/dbraw/zinc/74/13/85/350741385.db2.gz SMSJKLVFJRZMKG-UHFFFAOYSA-N 1 2 263.297 0.442 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)o1 ZINC000162345282 350741388 /nfs/dbraw/zinc/74/13/88/350741388.db2.gz SMSJKLVFJRZMKG-UHFFFAOYSA-N 1 2 263.297 0.442 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000163725697 350771634 /nfs/dbraw/zinc/77/16/34/350771634.db2.gz JVCNXAWTLRCTJS-QWHCGFSZSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000163725697 350771635 /nfs/dbraw/zinc/77/16/35/350771635.db2.gz JVCNXAWTLRCTJS-QWHCGFSZSA-N 1 2 260.293 0.666 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163810135 350773210 /nfs/dbraw/zinc/77/32/10/350773210.db2.gz COLMVAXSAYJREK-CYBMUJFWSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163810135 350773213 /nfs/dbraw/zinc/77/32/13/350773213.db2.gz COLMVAXSAYJREK-CYBMUJFWSA-N 1 2 284.400 0.883 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000173881858 351059864 /nfs/dbraw/zinc/05/98/64/351059864.db2.gz FSDFVSSJKAIWFN-JTQLQIEISA-N 1 2 258.343 0.507 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000173881858 351059866 /nfs/dbraw/zinc/05/98/66/351059866.db2.gz FSDFVSSJKAIWFN-JTQLQIEISA-N 1 2 258.343 0.507 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccoc2C(=O)OC)nn1 ZINC000603191709 362992662 /nfs/dbraw/zinc/99/26/62/362992662.db2.gz DBWPQKXBQJFLNV-UHFFFAOYSA-N 1 2 288.307 0.819 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000175325580 351126193 /nfs/dbraw/zinc/12/61/93/351126193.db2.gz MTSRNSSQHIDDGC-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000603238804 363018654 /nfs/dbraw/zinc/01/86/54/363018654.db2.gz YNSNJYUUCSEOND-LLVKDONJSA-N 1 2 268.317 0.256 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(C[N@H+](C)CCOC)nn1 ZINC000603238804 363018656 /nfs/dbraw/zinc/01/86/56/363018656.db2.gz YNSNJYUUCSEOND-LLVKDONJSA-N 1 2 268.317 0.256 20 30 CCEDLO Cc1cc(Cn2cc(C[N@H+](C)CCO)nn2)ccc1C#N ZINC000603235982 363016110 /nfs/dbraw/zinc/01/61/10/363016110.db2.gz LHCXFFCSAIDTJH-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO Cc1cc(Cn2cc(C[N@@H+](C)CCO)nn2)ccc1C#N ZINC000603235982 363016113 /nfs/dbraw/zinc/01/61/13/363016113.db2.gz LHCXFFCSAIDTJH-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c[nH]1 ZINC000181317655 351312549 /nfs/dbraw/zinc/31/25/49/351312549.db2.gz HEFUFZKAIFJDTN-CQSZACIVSA-N 1 2 288.351 0.823 20 30 CCEDLO N#Cc1cccnc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179845506 351277648 /nfs/dbraw/zinc/27/76/48/351277648.db2.gz QDDCGKSNQHWUHP-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO N#Cc1cccnc1N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179845506 351277652 /nfs/dbraw/zinc/27/76/52/351277652.db2.gz QDDCGKSNQHWUHP-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000186001782 351470605 /nfs/dbraw/zinc/47/06/05/351470605.db2.gz KVRCLMXXKHEEHZ-CYBMUJFWSA-N 1 2 272.352 0.931 20 30 CCEDLO Cn1cc(C[N@@H+]2CCOC[C@]23CCOC3)cc1C#N ZINC000195019244 351893846 /nfs/dbraw/zinc/89/38/46/351893846.db2.gz VPIJNTREGZRUAW-CQSZACIVSA-N 1 2 261.325 0.888 20 30 CCEDLO Cn1cc(C[N@H+]2CCOC[C@]23CCOC3)cc1C#N ZINC000195019244 351893851 /nfs/dbraw/zinc/89/38/51/351893851.db2.gz VPIJNTREGZRUAW-CQSZACIVSA-N 1 2 261.325 0.888 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000230340356 352112819 /nfs/dbraw/zinc/11/28/19/352112819.db2.gz RNWRXWBDLRJYEK-UHFFFAOYSA-N 1 2 282.350 0.832 20 30 CCEDLO COC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292037258 198141651 /nfs/dbraw/zinc/14/16/51/198141651.db2.gz ADQNQIQGMUKRCR-NSHDSACASA-N 1 2 261.281 0.579 20 30 CCEDLO COC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292037258 198141652 /nfs/dbraw/zinc/14/16/52/198141652.db2.gz ADQNQIQGMUKRCR-NSHDSACASA-N 1 2 261.281 0.579 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271551391 191207373 /nfs/dbraw/zinc/20/73/73/191207373.db2.gz LNOLZIYSSLAJGP-QWHCGFSZSA-N 1 2 291.376 0.494 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271551391 191207375 /nfs/dbraw/zinc/20/73/75/191207375.db2.gz LNOLZIYSSLAJGP-QWHCGFSZSA-N 1 2 291.376 0.494 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000264804126 352598693 /nfs/dbraw/zinc/59/86/93/352598693.db2.gz WYNPYDPYCSLOGX-WAVCKPEOSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000264804126 352598696 /nfs/dbraw/zinc/59/86/96/352598696.db2.gz WYNPYDPYCSLOGX-WAVCKPEOSA-N 1 2 298.390 0.933 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000266865778 352727750 /nfs/dbraw/zinc/72/77/50/352727750.db2.gz MOFBKCYDTMEKHK-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO CC(C)(C(N)=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000266865778 352727752 /nfs/dbraw/zinc/72/77/52/352727752.db2.gz MOFBKCYDTMEKHK-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO N#Cc1nc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000267224576 352752443 /nfs/dbraw/zinc/75/24/43/352752443.db2.gz OOYHCUREOIHDDP-SNVBAGLBSA-N 1 2 296.758 0.712 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267366315 352762593 /nfs/dbraw/zinc/76/25/93/352762593.db2.gz IZOLQXKBZURHMU-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C=CCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000270946847 353006486 /nfs/dbraw/zinc/00/64/86/353006486.db2.gz DITUSWRQVPBPBD-UHFFFAOYSA-N 1 2 253.346 0.281 20 30 CCEDLO C=CCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000270946847 353006489 /nfs/dbraw/zinc/00/64/89/353006489.db2.gz DITUSWRQVPBPBD-UHFFFAOYSA-N 1 2 253.346 0.281 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000152610706 188032156 /nfs/dbraw/zinc/03/21/56/188032156.db2.gz WLSJIPCCHPAZPD-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@H]1CCC ZINC000152610706 188032157 /nfs/dbraw/zinc/03/21/57/188032157.db2.gz WLSJIPCCHPAZPD-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560578 363204933 /nfs/dbraw/zinc/20/49/33/363204933.db2.gz YIGYOVUAJHZUMH-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO CC#CCC[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000155018703 188177210 /nfs/dbraw/zinc/17/72/10/188177210.db2.gz SNJQGYTURACYIE-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156803190 188282719 /nfs/dbraw/zinc/28/27/19/188282719.db2.gz QIXGRMOBEFGTGE-ZIAGYGMSSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156803190 188282721 /nfs/dbraw/zinc/28/27/21/188282721.db2.gz QIXGRMOBEFGTGE-ZIAGYGMSSA-N 1 2 282.384 0.659 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH+]1CCOCC1 ZINC000156988879 188291462 /nfs/dbraw/zinc/29/14/62/188291462.db2.gz JJZAEFORGPIFIA-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO N#Cc1ncn(CCNc2cc(NCC3CC3)[nH+]cn2)n1 ZINC000286234585 353571107 /nfs/dbraw/zinc/57/11/07/353571107.db2.gz CWZVQROINQXLMH-UHFFFAOYSA-N 1 2 284.327 0.874 20 30 CCEDLO N#Cc1ncn(CCNc2cc(NCC3CC3)nc[nH+]2)n1 ZINC000286234585 353571113 /nfs/dbraw/zinc/57/11/13/353571113.db2.gz CWZVQROINQXLMH-UHFFFAOYSA-N 1 2 284.327 0.874 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CC=CC2)CCO1 ZINC000328635700 354243415 /nfs/dbraw/zinc/24/34/15/354243415.db2.gz NPGUFVKFWPUMTO-LBPRGKRZSA-N 1 2 296.371 0.787 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CC=CC2)CCO1 ZINC000328635700 354243418 /nfs/dbraw/zinc/24/34/18/354243418.db2.gz NPGUFVKFWPUMTO-LBPRGKRZSA-N 1 2 296.371 0.787 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCn2ccnc2C1 ZINC000329696460 354259178 /nfs/dbraw/zinc/25/91/78/354259178.db2.gz BUTOZERXGMBOLW-SNVBAGLBSA-N 1 2 286.339 0.893 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCC(O)(CO)CC2)CCCCC1 ZINC000313666362 354218507 /nfs/dbraw/zinc/21/85/07/354218507.db2.gz IRJXWJFNPLHRSZ-UHFFFAOYSA-N 1 2 295.383 0.148 20 30 CCEDLO C[NH+]1CCN(C(=O)CSc2cc(C#N)ccn2)CC1 ZINC000330493017 354380028 /nfs/dbraw/zinc/38/00/28/354380028.db2.gz LMIIAVWRGXQZTN-UHFFFAOYSA-N 1 2 276.365 0.819 20 30 CCEDLO N#Cc1ncn(CCNc2nc(N)c3ccccc3[nH+]2)n1 ZINC000557722373 291043257 /nfs/dbraw/zinc/04/32/57/291043257.db2.gz ILNPQKPHMQXGOU-UHFFFAOYSA-N 1 2 280.295 0.040 20 30 CCEDLO COC1C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000336804625 355180992 /nfs/dbraw/zinc/18/09/92/355180992.db2.gz GYMLPYGTULBRQI-LBPRGKRZSA-N 1 2 262.309 0.629 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)C1=O ZINC000337179674 355278287 /nfs/dbraw/zinc/27/82/87/355278287.db2.gz ADDSNLDTTUZFJE-MELADBBJSA-N 1 2 292.379 0.843 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)C1=O ZINC000337179674 355278290 /nfs/dbraw/zinc/27/82/90/355278290.db2.gz ADDSNLDTTUZFJE-MELADBBJSA-N 1 2 292.379 0.843 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628209 355384628 /nfs/dbraw/zinc/38/46/28/355384628.db2.gz YLORWEFGVDYTQM-CMPLNLGQSA-N 1 2 257.309 0.153 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](F)(CO)C1 ZINC000338628209 355384629 /nfs/dbraw/zinc/38/46/29/355384629.db2.gz YLORWEFGVDYTQM-CMPLNLGQSA-N 1 2 257.309 0.153 20 30 CCEDLO COCC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425204234 235272565 /nfs/dbraw/zinc/27/25/65/235272565.db2.gz GZBLGVYAAGSURO-UHFFFAOYSA-N 1 2 274.324 0.557 20 30 CCEDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c(C#N)cn1 ZINC000425234340 235275708 /nfs/dbraw/zinc/27/57/08/235275708.db2.gz YWMOHWGNOLMIDF-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c(C#N)cn1 ZINC000425234340 235275711 /nfs/dbraw/zinc/27/57/11/235275711.db2.gz YWMOHWGNOLMIDF-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1cc(NCCn2cnc(C#N)n2)nc(C(C)C)[nH+]1 ZINC000343530241 355773227 /nfs/dbraw/zinc/77/32/27/355773227.db2.gz WDQNWFGBDAIWBO-UHFFFAOYSA-N 1 2 271.328 0.906 20 30 CCEDLO CC#CCCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344044229 355781673 /nfs/dbraw/zinc/78/16/73/355781673.db2.gz FSWMQHQPUURFNL-GFCCVEGCSA-N 1 2 277.324 0.804 20 30 CCEDLO CC#CCCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344044229 355781679 /nfs/dbraw/zinc/78/16/79/355781679.db2.gz FSWMQHQPUURFNL-GFCCVEGCSA-N 1 2 277.324 0.804 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000362275473 138052964 /nfs/dbraw/zinc/05/29/64/138052964.db2.gz DGTDXNMNSPWBAU-WDEREUQCSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000362275473 138052965 /nfs/dbraw/zinc/05/29/65/138052965.db2.gz DGTDXNMNSPWBAU-WDEREUQCSA-N 1 2 250.273 0.625 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273761712 192296327 /nfs/dbraw/zinc/29/63/27/192296327.db2.gz YHVNQYOKQRUTPY-YUMQZZPRSA-N 1 2 252.343 0.635 20 30 CCEDLO Cc1nc(C(=O)NCc2c[nH+]cn2C)ccc1C#N ZINC000355265595 356623030 /nfs/dbraw/zinc/62/30/30/356623030.db2.gz LTRFGLMNWAUHGW-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647495 366310634 /nfs/dbraw/zinc/31/06/34/366310634.db2.gz VVINLTSTFCIKKQ-FZMZJTMJSA-N 1 2 290.342 0.882 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000619719969 366340662 /nfs/dbraw/zinc/34/06/62/366340662.db2.gz PVCVMPXXBNACLV-LLVKDONJSA-N 1 2 277.328 0.286 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000619719969 366340667 /nfs/dbraw/zinc/34/06/67/366340667.db2.gz PVCVMPXXBNACLV-LLVKDONJSA-N 1 2 277.328 0.286 20 30 CCEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCO)CC1 ZINC000610504281 363570221 /nfs/dbraw/zinc/57/02/21/363570221.db2.gz FUXSTFZJNHDERC-UHFFFAOYSA-N 1 2 262.313 0.538 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374010941 357393457 /nfs/dbraw/zinc/39/34/57/357393457.db2.gz ATXFQOMRHLQGMN-VNHYZAJKSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374010941 357393462 /nfs/dbraw/zinc/39/34/62/357393462.db2.gz ATXFQOMRHLQGMN-VNHYZAJKSA-N 1 2 282.384 0.947 20 30 CCEDLO CN(C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)C1(C#N)CCCCC1 ZINC000610604520 363583807 /nfs/dbraw/zinc/58/38/07/363583807.db2.gz WBUCJAVHUBVXGL-BETUJISGSA-N 1 2 295.383 0.099 20 30 CCEDLO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)C1(C#N)CCCCC1 ZINC000610604520 363583811 /nfs/dbraw/zinc/58/38/11/363583811.db2.gz WBUCJAVHUBVXGL-BETUJISGSA-N 1 2 295.383 0.099 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000574014006 334984962 /nfs/dbraw/zinc/98/49/62/334984962.db2.gz QSFIICQDCVHAFA-TUAOUCFPSA-N 1 2 264.329 0.914 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](C#N)CCC#N)CCN2C1=O ZINC000610605711 363586139 /nfs/dbraw/zinc/58/61/39/363586139.db2.gz WDEBDPZLTDNVAP-NEPJUHHUSA-N 1 2 289.339 0.398 20 30 CCEDLO CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CCN2C1=O ZINC000610605711 363586141 /nfs/dbraw/zinc/58/61/41/363586141.db2.gz WDEBDPZLTDNVAP-NEPJUHHUSA-N 1 2 289.339 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382679959 357714260 /nfs/dbraw/zinc/71/42/60/357714260.db2.gz ZYWRUAVZPRQPLP-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2nccnc2C#N)C1 ZINC000400747219 357795814 /nfs/dbraw/zinc/79/58/14/357795814.db2.gz BDPKLIFYFHYOEG-SECBINFHSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2nccnc2C#N)C1 ZINC000400747219 357795815 /nfs/dbraw/zinc/79/58/15/357795815.db2.gz BDPKLIFYFHYOEG-SECBINFHSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2cncc(C#N)n2)C1 ZINC000401315157 357799280 /nfs/dbraw/zinc/79/92/80/357799280.db2.gz YESUWUWEBJVSMM-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2cncc(C#N)n2)C1 ZINC000401315157 357799284 /nfs/dbraw/zinc/79/92/84/357799284.db2.gz YESUWUWEBJVSMM-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO O=C(NCC#CCO)c1ccccc1C[NH+]1CCOCC1 ZINC000294388562 199021156 /nfs/dbraw/zinc/02/11/56/199021156.db2.gz VEEBPDFURFFDKH-UHFFFAOYSA-N 1 2 288.347 0.244 20 30 CCEDLO C=CC[NH+](CC=C)Cc1cn(CC(=O)OC)nn1 ZINC000294514667 199069311 /nfs/dbraw/zinc/06/93/11/199069311.db2.gz DRAANHLJOWKDEA-UHFFFAOYSA-N 1 2 250.302 0.625 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000456197740 236368314 /nfs/dbraw/zinc/36/83/14/236368314.db2.gz DVDNYXKMGIVCBQ-TXEJJXNPSA-N 1 2 274.324 0.479 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000456197740 236368316 /nfs/dbraw/zinc/36/83/16/236368316.db2.gz DVDNYXKMGIVCBQ-TXEJJXNPSA-N 1 2 274.324 0.479 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494031250 358312204 /nfs/dbraw/zinc/31/22/04/358312204.db2.gz CKRXGCBPFRNUHL-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494031250 358312206 /nfs/dbraw/zinc/31/22/06/358312206.db2.gz CKRXGCBPFRNUHL-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncncc1C#N ZINC000516966696 358341440 /nfs/dbraw/zinc/34/14/40/358341440.db2.gz AGSCOYMGLIMTCR-YPMHNXCESA-N 1 2 273.340 0.648 20 30 CCEDLO Cc1noc(C)c1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000573383997 358963637 /nfs/dbraw/zinc/96/36/37/358963637.db2.gz MXWQRYWURVWNSK-UHFFFAOYSA-N 1 2 276.340 0.892 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H]1CCCC(=O)N1 ZINC000574044338 359022764 /nfs/dbraw/zinc/02/27/64/359022764.db2.gz DQLFKRPLPDZHRK-ZWNOBZJWSA-N 1 2 266.345 0.005 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578416987 359048770 /nfs/dbraw/zinc/04/87/70/359048770.db2.gz KDCNKSGFKFJWAE-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000578416987 359048776 /nfs/dbraw/zinc/04/87/76/359048776.db2.gz KDCNKSGFKFJWAE-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)c1 ZINC000610841936 363621334 /nfs/dbraw/zinc/62/13/34/363621334.db2.gz NZSUQCLKFKTBBX-CYBMUJFWSA-N 1 2 285.351 0.354 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582585001 359150325 /nfs/dbraw/zinc/15/03/25/359150325.db2.gz YHQJTNYSAVIFRD-UHFFFAOYSA-N 1 2 256.265 0.412 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2cc(C#N)ncn2)CC1 ZINC000582643749 359151318 /nfs/dbraw/zinc/15/13/18/359151318.db2.gz PEFVZEFZQUQWMO-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000587036336 359298866 /nfs/dbraw/zinc/29/88/66/359298866.db2.gz VWLRWSHGUHVJBF-GFCCVEGCSA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1nsc(NC[C@](C)(O)C[NH+]2CCOCC2)c1C#N ZINC000587984721 359303491 /nfs/dbraw/zinc/30/34/91/359303491.db2.gz IDQZRHLFIPZAMZ-ZDUSSCGKSA-N 1 2 296.396 0.818 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000588215900 359318797 /nfs/dbraw/zinc/31/87/97/359318797.db2.gz GTSRIZQPHOWCTB-STQMWFEESA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000588215900 359318798 /nfs/dbraw/zinc/31/87/98/359318798.db2.gz GTSRIZQPHOWCTB-STQMWFEESA-N 1 2 268.357 0.952 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993297 363643256 /nfs/dbraw/zinc/64/32/56/363643256.db2.gz LQRAPISJAFBUCE-LLVKDONJSA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993297 363643262 /nfs/dbraw/zinc/64/32/62/363643262.db2.gz LQRAPISJAFBUCE-LLVKDONJSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994998 363645587 /nfs/dbraw/zinc/64/55/87/363645587.db2.gz RRDWBYIPQADIOP-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994998 363645592 /nfs/dbraw/zinc/64/55/92/363645592.db2.gz RRDWBYIPQADIOP-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C#N)cc(C)n2)CC1 ZINC000585703415 359264313 /nfs/dbraw/zinc/26/43/13/359264313.db2.gz ILDLSQNQTOFQJP-UHFFFAOYSA-N 1 2 287.367 0.260 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCc2c[nH+]c3n2CCCC3)[nH]1 ZINC000585798089 359277766 /nfs/dbraw/zinc/27/77/66/359277766.db2.gz OJYWJPHGWRXAMQ-UHFFFAOYSA-N 1 2 299.338 0.568 20 30 CCEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)nc1 ZINC000591020503 359546727 /nfs/dbraw/zinc/54/67/27/359546727.db2.gz IFCQJDPGPKWPAK-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO CNS(=O)(=O)c1ccc(C[NH2+]CCC#N)s1 ZINC000591723097 359647159 /nfs/dbraw/zinc/64/71/59/359647159.db2.gz HPUOCVVKNVSLQZ-UHFFFAOYSA-N 1 2 259.356 0.659 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ncc3c(c2C#N)CCC3)CCO1 ZINC000591818522 359662320 /nfs/dbraw/zinc/66/23/20/359662320.db2.gz MUQHEXLYPBXJSW-LBPRGKRZSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ncc3c(c2C#N)CCC3)CCO1 ZINC000591818522 359662322 /nfs/dbraw/zinc/66/23/22/359662322.db2.gz MUQHEXLYPBXJSW-LBPRGKRZSA-N 1 2 286.379 0.996 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000591914957 359692092 /nfs/dbraw/zinc/69/20/92/359692092.db2.gz MQJREMJFQODNDZ-DGCLKSJQSA-N 1 2 277.328 0.332 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592056017 359743805 /nfs/dbraw/zinc/74/38/05/359743805.db2.gz SENVJHCCXDTDSH-UHFFFAOYSA-N 1 2 299.378 0.373 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592140738 359763945 /nfs/dbraw/zinc/76/39/45/359763945.db2.gz PCGSBMWYBGFRIG-ZDUSSCGKSA-N 1 2 299.396 0.206 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592140738 359763948 /nfs/dbraw/zinc/76/39/48/359763948.db2.gz PCGSBMWYBGFRIG-ZDUSSCGKSA-N 1 2 299.396 0.206 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000592256289 359805282 /nfs/dbraw/zinc/80/52/82/359805282.db2.gz BKFBQODUQGVGDL-GJYTXDDASA-N 1 2 273.340 0.795 20 30 CCEDLO N#CCN1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000611203295 363680758 /nfs/dbraw/zinc/68/07/58/363680758.db2.gz RNWSLARCXIUBNN-UHFFFAOYSA-N 1 2 282.351 0.864 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000592838507 359949352 /nfs/dbraw/zinc/94/93/52/359949352.db2.gz GSHHFKAILTXUCM-AWEZNQCLSA-N 1 2 270.292 0.825 20 30 CCEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)NC(N)=O)C2 ZINC000593121577 360044407 /nfs/dbraw/zinc/04/44/07/360044407.db2.gz CCJPIMSEFZOCJU-UHFFFAOYSA-N 1 2 258.281 0.459 20 30 CCEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000593121577 360044411 /nfs/dbraw/zinc/04/44/11/360044411.db2.gz CCJPIMSEFZOCJU-UHFFFAOYSA-N 1 2 258.281 0.459 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000593389272 360076145 /nfs/dbraw/zinc/07/61/45/360076145.db2.gz PPGAFFAHLFLBCB-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C#N)CC)CC1 ZINC000593404266 360079684 /nfs/dbraw/zinc/07/96/84/360079684.db2.gz OYRRNKZVLNDVHP-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C#N)CC)CC1 ZINC000593404266 360079690 /nfs/dbraw/zinc/07/96/90/360079690.db2.gz OYRRNKZVLNDVHP-LBPRGKRZSA-N 1 2 280.372 0.207 20 30 CCEDLO N#Cc1ccc(F)c(C[NH2+][C@@]2(C(N)=O)CCOC2)c1 ZINC000594034902 360239998 /nfs/dbraw/zinc/23/99/98/360239998.db2.gz GENRYCIMSYBQIB-ZDUSSCGKSA-N 1 2 263.272 0.431 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594217233 360259194 /nfs/dbraw/zinc/25/91/94/360259194.db2.gz SHHSMZQEBYJUJK-UHFFFAOYSA-N 1 2 280.372 0.303 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000611431963 363718455 /nfs/dbraw/zinc/71/84/55/363718455.db2.gz IMQGNNFMKGKPEA-HOTGVXAUSA-N 1 2 294.443 0.873 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000595302997 360488336 /nfs/dbraw/zinc/48/83/36/360488336.db2.gz ZIDZMVFEZUMUAU-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000595302997 360488342 /nfs/dbraw/zinc/48/83/42/360488342.db2.gz ZIDZMVFEZUMUAU-NWDGAFQWSA-N 1 2 281.356 0.632 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000178292693 189104166 /nfs/dbraw/zinc/10/41/66/189104166.db2.gz IMVJYUGNKDNDLJ-CYBMUJFWSA-N 1 2 271.320 0.427 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000178292693 189104167 /nfs/dbraw/zinc/10/41/67/189104167.db2.gz IMVJYUGNKDNDLJ-CYBMUJFWSA-N 1 2 271.320 0.427 20 30 CCEDLO CN1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CCC1=O ZINC000595786692 360654492 /nfs/dbraw/zinc/65/44/92/360654492.db2.gz VZQXZOVOHAQBNW-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CN1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCC1=O ZINC000595786692 360654497 /nfs/dbraw/zinc/65/44/97/360654497.db2.gz VZQXZOVOHAQBNW-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833677 360673713 /nfs/dbraw/zinc/67/37/13/360673713.db2.gz ILOJDNCLFILBNH-JOYOIKCWSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833677 360673714 /nfs/dbraw/zinc/67/37/14/360673714.db2.gz ILOJDNCLFILBNH-JOYOIKCWSA-N 1 2 252.318 0.456 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2nccnc2C#N)[C@@H](C)CO1 ZINC000596427360 360891356 /nfs/dbraw/zinc/89/13/56/360891356.db2.gz FWQIABHKYMABRW-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2nccnc2C#N)[C@@H](C)CO1 ZINC000596427360 360891358 /nfs/dbraw/zinc/89/13/58/360891358.db2.gz FWQIABHKYMABRW-QWRGUYRKSA-N 1 2 261.329 0.869 20 30 CCEDLO Cc1cc(=NC(=O)N(C)Cc2c[nH+]c[nH]2)[nH]n1CCC#N ZINC000596812503 360960197 /nfs/dbraw/zinc/96/01/97/360960197.db2.gz CQECEBPGUYVEQO-UHFFFAOYSA-N 1 2 287.327 0.914 20 30 CCEDLO Cc1cc(=NC(=O)N(C)Cc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000596812503 360960202 /nfs/dbraw/zinc/96/02/02/360960202.db2.gz CQECEBPGUYVEQO-UHFFFAOYSA-N 1 2 287.327 0.914 20 30 CCEDLO C[C@@H](CC#N)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597021666 360995009 /nfs/dbraw/zinc/99/50/09/360995009.db2.gz NJMLBMLOQNTXMN-ZDUSSCGKSA-N 1 2 278.356 0.611 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476453 361107367 /nfs/dbraw/zinc/10/73/67/361107367.db2.gz LKMYFMLFQHWPGL-VHSXEESVSA-N 1 2 276.365 0.982 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476453 361107372 /nfs/dbraw/zinc/10/73/72/361107372.db2.gz LKMYFMLFQHWPGL-VHSXEESVSA-N 1 2 276.365 0.982 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)CO ZINC000597741553 361223837 /nfs/dbraw/zinc/22/38/37/361223837.db2.gz OFROIUJXGSSWLB-SNVBAGLBSA-N 1 2 258.281 0.345 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993513 361302044 /nfs/dbraw/zinc/30/20/44/361302044.db2.gz GDZOAEWUPCZMHV-QJPTWQEYSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[C@H](C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993513 361302049 /nfs/dbraw/zinc/30/20/49/361302049.db2.gz GDZOAEWUPCZMHV-QJPTWQEYSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000598127980 361339741 /nfs/dbraw/zinc/33/97/41/361339741.db2.gz WNXKVUKMUUYKMM-NSHDSACASA-N 1 2 280.372 0.346 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000598127980 361339744 /nfs/dbraw/zinc/33/97/44/361339744.db2.gz WNXKVUKMUUYKMM-NSHDSACASA-N 1 2 280.372 0.346 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000611760725 363778517 /nfs/dbraw/zinc/77/85/17/363778517.db2.gz VPYIKSGBTYQUKM-AWEZNQCLSA-N 1 2 270.373 0.493 20 30 CCEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)NCC#N ZINC000598647453 361472759 /nfs/dbraw/zinc/47/27/59/361472759.db2.gz CXFCCTMKLXQLCD-UHFFFAOYSA-N 1 2 276.340 0.779 20 30 CCEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)NCC#N ZINC000598647453 361472763 /nfs/dbraw/zinc/47/27/63/361472763.db2.gz CXFCCTMKLXQLCD-UHFFFAOYSA-N 1 2 276.340 0.779 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000599160881 361592855 /nfs/dbraw/zinc/59/28/55/361592855.db2.gz KQJGRFUNHFDFBX-LLVKDONJSA-N 1 2 261.329 0.075 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000599160881 361592857 /nfs/dbraw/zinc/59/28/57/361592857.db2.gz KQJGRFUNHFDFBX-LLVKDONJSA-N 1 2 261.329 0.075 20 30 CCEDLO C[C@]1(C#N)CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000612002690 363828468 /nfs/dbraw/zinc/82/84/68/363828468.db2.gz OAFXGWASLLWGFV-CQSZACIVSA-N 1 2 280.372 0.654 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000614419000 364600139 /nfs/dbraw/zinc/60/01/39/364600139.db2.gz PKHDZBBWSCUNLL-OCCSQVGLSA-N 1 2 288.355 0.333 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000614419000 364600142 /nfs/dbraw/zinc/60/01/42/364600142.db2.gz PKHDZBBWSCUNLL-OCCSQVGLSA-N 1 2 288.355 0.333 20 30 CCEDLO COCC#CC[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614580439 364666737 /nfs/dbraw/zinc/66/67/37/364666737.db2.gz LXIUTMMFNBYQTP-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062755 412737663 /nfs/dbraw/zinc/73/76/63/412737663.db2.gz QONQMNYPULNOOD-UPJWGTAASA-N 1 2 297.399 0.245 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062755 412737667 /nfs/dbraw/zinc/73/76/67/412737667.db2.gz QONQMNYPULNOOD-UPJWGTAASA-N 1 2 297.399 0.245 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000615551069 365003658 /nfs/dbraw/zinc/00/36/58/365003658.db2.gz GQIUNGKVCCITKD-GWCFXTLKSA-N 1 2 277.303 0.845 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000566246049 291383333 /nfs/dbraw/zinc/38/33/33/291383333.db2.gz CZDLPYIMFXLIRK-CYBMUJFWSA-N 1 2 298.350 0.654 20 30 CCEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000566246049 291383334 /nfs/dbraw/zinc/38/33/34/291383334.db2.gz CZDLPYIMFXLIRK-CYBMUJFWSA-N 1 2 298.350 0.654 20 30 CCEDLO C=CCCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623898929 367690976 /nfs/dbraw/zinc/69/09/76/367690976.db2.gz WDCBBPRLLJSQJK-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623898929 367690980 /nfs/dbraw/zinc/69/09/80/367690980.db2.gz WDCBBPRLLJSQJK-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCCCC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096955 368439365 /nfs/dbraw/zinc/43/93/65/368439365.db2.gz HQIWIQHFTVTMKJ-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096955 368439366 /nfs/dbraw/zinc/43/93/66/368439366.db2.gz HQIWIQHFTVTMKJ-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO Cc1nsc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)c1C#N ZINC000567533934 291490697 /nfs/dbraw/zinc/49/06/97/291490697.db2.gz UPBZXTBRMRACPF-NWDGAFQWSA-N 1 2 294.380 0.205 20 30 CCEDLO C=CCCS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632384657 371024800 /nfs/dbraw/zinc/02/48/00/371024800.db2.gz NDRPSBZENBQJQS-ZDUSSCGKSA-N 1 2 288.413 0.689 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633300688 371475356 /nfs/dbraw/zinc/47/53/56/371475356.db2.gz VQCHDFGHTJKPSO-ZJUUUORDSA-N 1 2 250.302 0.895 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637193592 373993022 /nfs/dbraw/zinc/99/30/22/373993022.db2.gz MZXUTRHRWYZIRF-WCQGTBRESA-N 1 2 262.313 0.451 20 30 CCEDLO C=CCOCCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637275233 374064949 /nfs/dbraw/zinc/06/49/49/374064949.db2.gz NRVWAZRTAVSHCK-NSHDSACASA-N 1 2 264.329 0.700 20 30 CCEDLO C=CCN(CC=C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637447126 374172592 /nfs/dbraw/zinc/17/25/92/374172592.db2.gz VQZLPNVEUMSIFX-GFCCVEGCSA-N 1 2 253.346 0.701 20 30 CCEDLO C=CCN(CC=C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637447126 374172597 /nfs/dbraw/zinc/17/25/97/374172597.db2.gz VQZLPNVEUMSIFX-GFCCVEGCSA-N 1 2 253.346 0.701 20 30 CCEDLO C=CCOCCCNC(=O)NCCn1cc[nH+]c1 ZINC000656550109 412825347 /nfs/dbraw/zinc/82/53/47/412825347.db2.gz LTCAHJUEANHTAC-UHFFFAOYSA-N 1 2 252.318 0.775 20 30 CCEDLO C=CCCn1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)nn1 ZINC000639780894 376005625 /nfs/dbraw/zinc/00/56/25/376005625.db2.gz SLPDNVCDWXYWNL-STQMWFEESA-N 1 2 266.345 0.172 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(C)no2)nn1 ZINC000640934535 376625094 /nfs/dbraw/zinc/62/50/94/376625094.db2.gz ZZTCQLYFUXGZCQ-SECBINFHSA-N 1 2 260.301 0.692 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(OC)n2)nn1 ZINC000641041164 376703096 /nfs/dbraw/zinc/70/30/96/376703096.db2.gz APLOISWOVNXQLQ-UHFFFAOYSA-N 1 2 271.324 0.843 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)ncn2)nn1 ZINC000641043696 376707531 /nfs/dbraw/zinc/70/75/31/376707531.db2.gz SDUMNCDXBVVRHN-UHFFFAOYSA-N 1 2 256.313 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)c(OC)co2)nn1 ZINC000641049526 376715220 /nfs/dbraw/zinc/71/52/20/376715220.db2.gz QAJVQAOTIUXWSP-UHFFFAOYSA-N 1 2 288.307 0.401 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2CC)nn1 ZINC000641088568 376763828 /nfs/dbraw/zinc/76/38/28/376763828.db2.gz SMTUNVHDJAMJAG-UHFFFAOYSA-N 1 2 259.317 0.051 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@@H]2CC2(F)F)nn1 ZINC000641183242 376855509 /nfs/dbraw/zinc/85/55/09/376855509.db2.gz DOQQITXYOQKWAI-LLVKDONJSA-N 1 2 270.283 0.815 20 30 CCEDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000515479561 249136221 /nfs/dbraw/zinc/13/62/21/249136221.db2.gz VLWYMSXJUUCUAG-OIBJUYFYSA-N 1 2 250.327 0.629 20 30 CCEDLO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000266204921 190239765 /nfs/dbraw/zinc/23/97/65/190239765.db2.gz MHFMMLBXHSJCIF-UHFFFAOYSA-N 1 2 290.367 0.793 20 30 CCEDLO N#Cc1ccc(Br)c(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278665087 194091709 /nfs/dbraw/zinc/09/17/09/194091709.db2.gz HXNOYESMVSCTNF-VXGBXAGGSA-N 1 2 297.152 0.858 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000358240202 532961730 /nfs/dbraw/zinc/96/17/30/532961730.db2.gz FWFHNGJIYVCMCK-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)nn1 ZINC000657370881 412973099 /nfs/dbraw/zinc/97/30/99/412973099.db2.gz MRZHVBLYVZGDBE-GFCCVEGCSA-N 1 2 277.372 0.953 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)nn1 ZINC000657370882 412974472 /nfs/dbraw/zinc/97/44/72/412974472.db2.gz MRZHVBLYVZGDBE-LBPRGKRZSA-N 1 2 277.372 0.953 20 30 CCEDLO C[C@@H](C(=O)NCc1ncn(C)n1)[NH+]1CCSCC1 ZINC000329075203 533099783 /nfs/dbraw/zinc/09/97/83/533099783.db2.gz PNBVVPDJVNRQAQ-VIFPVBQESA-N 1 2 269.374 0.709 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000347139196 533112418 /nfs/dbraw/zinc/11/24/18/533112418.db2.gz RJPDGPHJOAETOP-NSHDSACASA-N 1 2 261.329 0.224 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)nn1 ZINC000657456168 412997544 /nfs/dbraw/zinc/99/75/44/412997544.db2.gz QAVRJNZYKNTFCS-LBPRGKRZSA-N 1 2 277.372 0.955 20 30 CCEDLO C#CC[N@@H+](CCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000252499989 533133446 /nfs/dbraw/zinc/13/34/46/533133446.db2.gz SLHBQDPTQJBONU-CYBMUJFWSA-N 1 2 273.398 0.781 20 30 CCEDLO C#CC[N@H+](CCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000252499989 533133455 /nfs/dbraw/zinc/13/34/55/533133455.db2.gz SLHBQDPTQJBONU-CYBMUJFWSA-N 1 2 273.398 0.781 20 30 CCEDLO C=CCCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283377675 388764809 /nfs/dbraw/zinc/76/48/09/388764809.db2.gz WBTBJBAKUOSRKV-UHFFFAOYSA-N 1 2 278.356 0.862 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000184342956 388770991 /nfs/dbraw/zinc/77/09/91/388770991.db2.gz YQPBUXAJUYOQED-ZDUSSCGKSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCO)CC1 ZINC000042287356 388865831 /nfs/dbraw/zinc/86/58/31/388865831.db2.gz WISVQAZACVONEH-CQSZACIVSA-N 1 2 281.400 0.185 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000289271643 388868408 /nfs/dbraw/zinc/86/84/08/388868408.db2.gz WYVPILMPMQGTAG-ZIAGYGMSSA-N 1 2 276.380 0.875 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(N)=O)C(C)C ZINC000048559056 388892975 /nfs/dbraw/zinc/89/29/75/388892975.db2.gz LRUVBUWORFUADI-NSHDSACASA-N 1 2 268.361 0.190 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000048559056 388892980 /nfs/dbraw/zinc/89/29/80/388892980.db2.gz LRUVBUWORFUADI-NSHDSACASA-N 1 2 268.361 0.190 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000048922109 388910513 /nfs/dbraw/zinc/91/05/13/388910513.db2.gz FJTCHMRNBHRTER-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000048922109 388910514 /nfs/dbraw/zinc/91/05/14/388910514.db2.gz FJTCHMRNBHRTER-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](C)C#N ZINC000049000589 388912853 /nfs/dbraw/zinc/91/28/53/388912853.db2.gz IOPLCMYUQRYOMS-JTQLQIEISA-N 1 2 266.345 0.798 20 30 CCEDLO CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](C)C#N ZINC000049000589 388912854 /nfs/dbraw/zinc/91/28/54/388912854.db2.gz IOPLCMYUQRYOMS-JTQLQIEISA-N 1 2 266.345 0.798 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000291184492 388919218 /nfs/dbraw/zinc/91/92/18/388919218.db2.gz HQAPVWJPRMRGRE-LLVKDONJSA-N 1 2 274.324 0.989 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188397349 388927023 /nfs/dbraw/zinc/92/70/23/388927023.db2.gz RRKHLROBWWQKNQ-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188397349 388927026 /nfs/dbraw/zinc/92/70/26/388927026.db2.gz RRKHLROBWWQKNQ-GFCCVEGCSA-N 1 2 275.308 0.324 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000066495641 388945292 /nfs/dbraw/zinc/94/52/92/388945292.db2.gz HFSBJQLLBCWMQE-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000066495641 388945294 /nfs/dbraw/zinc/94/52/94/388945294.db2.gz HFSBJQLLBCWMQE-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000293505644 388983851 /nfs/dbraw/zinc/98/38/51/388983851.db2.gz HRORNEBCKXKUBD-NSHDSACASA-N 1 2 294.355 0.785 20 30 CCEDLO C=CCOCC[N@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000292937807 388970530 /nfs/dbraw/zinc/97/05/30/388970530.db2.gz ZRTKYOGOAXIENJ-LBPRGKRZSA-N 1 2 259.371 0.864 20 30 CCEDLO C=CCOCC[N@@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000292937807 388970534 /nfs/dbraw/zinc/97/05/34/388970534.db2.gz ZRTKYOGOAXIENJ-LBPRGKRZSA-N 1 2 259.371 0.864 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000192221665 389027634 /nfs/dbraw/zinc/02/76/34/389027634.db2.gz WVQALCMSQDTHOJ-NEPJUHHUSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000192221665 389027638 /nfs/dbraw/zinc/02/76/38/389027638.db2.gz WVQALCMSQDTHOJ-NEPJUHHUSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192227374 389029997 /nfs/dbraw/zinc/02/99/97/389029997.db2.gz XJXJHCFUQKWZHC-UHFFFAOYSA-N 1 2 291.263 0.827 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192227374 389030002 /nfs/dbraw/zinc/03/00/02/389030002.db2.gz XJXJHCFUQKWZHC-UHFFFAOYSA-N 1 2 291.263 0.827 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ncccn1 ZINC000191089608 389005959 /nfs/dbraw/zinc/00/59/59/389005959.db2.gz XKJVWJOKJYSNQA-LLVKDONJSA-N 1 2 264.329 0.938 20 30 CCEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ncccn1 ZINC000191089608 389005965 /nfs/dbraw/zinc/00/59/65/389005965.db2.gz XKJVWJOKJYSNQA-LLVKDONJSA-N 1 2 264.329 0.938 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301783152 389057956 /nfs/dbraw/zinc/05/79/56/389057956.db2.gz OHGRCPPGOWLUQQ-JTQLQIEISA-N 1 2 276.315 0.693 20 30 CCEDLO C#CCOCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000302116819 389064218 /nfs/dbraw/zinc/06/42/18/389064218.db2.gz CIJQTTSIKDMKNQ-ZDUSSCGKSA-N 1 2 290.367 0.747 20 30 CCEDLO C#CCOCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000302116819 389064219 /nfs/dbraw/zinc/06/42/19/389064219.db2.gz CIJQTTSIKDMKNQ-ZDUSSCGKSA-N 1 2 290.367 0.747 20 30 CCEDLO N#CC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC000098113340 389070207 /nfs/dbraw/zinc/07/02/07/389070207.db2.gz JEJJAGFODKTGKQ-CYBMUJFWSA-N 1 2 295.383 0.270 20 30 CCEDLO N#CC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCCCC1 ZINC000338133629 389077836 /nfs/dbraw/zinc/07/78/36/389077836.db2.gz KXXQAVQJJKFJQR-UHFFFAOYSA-N 1 2 292.383 0.399 20 30 CCEDLO N#CC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCCCC1 ZINC000338133629 389077841 /nfs/dbraw/zinc/07/78/41/389077841.db2.gz KXXQAVQJJKFJQR-UHFFFAOYSA-N 1 2 292.383 0.399 20 30 CCEDLO Cc1c(CNC(=O)N2CCn3cc[nH+]c3C2)cnn1C ZINC000328895328 389143977 /nfs/dbraw/zinc/14/39/77/389143977.db2.gz WDMWDLJQDDDKRY-UHFFFAOYSA-N 1 2 274.328 0.855 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1cc(F)ccc1F ZINC000121355553 389147298 /nfs/dbraw/zinc/14/72/98/389147298.db2.gz CCIWXLUHXACFPJ-UHFFFAOYSA-N 1 2 273.239 0.575 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109815412 389100029 /nfs/dbraw/zinc/10/00/29/389100029.db2.gz CIFJOFSWTNJRNZ-ZDUSSCGKSA-N 1 2 286.335 0.363 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109815412 389100030 /nfs/dbraw/zinc/10/00/30/389100030.db2.gz CIFJOFSWTNJRNZ-ZDUSSCGKSA-N 1 2 286.335 0.363 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(C#N)c1 ZINC000121372640 389148124 /nfs/dbraw/zinc/14/81/24/389148124.db2.gz GNJSRXSTQUWBET-SECBINFHSA-N 1 2 276.296 0.556 20 30 CCEDLO O=C(NC[C@H]1COCCO1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328617971 389129681 /nfs/dbraw/zinc/12/96/81/389129681.db2.gz URALSGIFFIQSTC-RYUDHWBXSA-N 1 2 294.355 0.680 20 30 CCEDLO C=CCN(CCOC)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357175980 389131901 /nfs/dbraw/zinc/13/19/01/389131901.db2.gz JUZBHKAEDVDPLU-UHFFFAOYSA-N 1 2 285.388 0.104 20 30 CCEDLO C=CCN(CCOC)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357175980 389131903 /nfs/dbraw/zinc/13/19/03/389131903.db2.gz JUZBHKAEDVDPLU-UHFFFAOYSA-N 1 2 285.388 0.104 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCc1c[nH+]cn1C ZINC000360119622 389191267 /nfs/dbraw/zinc/19/12/67/389191267.db2.gz QCNZUNWSTABHQZ-JTQLQIEISA-N 1 2 252.318 0.404 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCOC1 ZINC000329712091 389191341 /nfs/dbraw/zinc/19/13/41/389191341.db2.gz PNECWYWVTQYYQU-OLZOCXBDSA-N 1 2 285.388 0.732 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCO3)C[C@@H]21 ZINC000329720817 389192330 /nfs/dbraw/zinc/19/23/30/389192330.db2.gz MWHJPQKEXFJBGE-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCO3)C[C@@H]21 ZINC000329720817 389192331 /nfs/dbraw/zinc/19/23/31/389192331.db2.gz MWHJPQKEXFJBGE-GRYCIOLGSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360505328 389198910 /nfs/dbraw/zinc/19/89/10/389198910.db2.gz UILPLTARZNSRJZ-GHMZBOCLSA-N 1 2 278.356 0.751 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360505328 389198912 /nfs/dbraw/zinc/19/89/12/389198912.db2.gz UILPLTARZNSRJZ-GHMZBOCLSA-N 1 2 278.356 0.751 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCN2C(=O)NC[C@@H]2C1 ZINC000329799746 389202468 /nfs/dbraw/zinc/20/24/68/389202468.db2.gz HSTJTBSCPQZPLG-GHMZBOCLSA-N 1 2 292.343 0.099 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000329799746 389202470 /nfs/dbraw/zinc/20/24/70/389202470.db2.gz HSTJTBSCPQZPLG-GHMZBOCLSA-N 1 2 292.343 0.099 20 30 CCEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000123303856 389156389 /nfs/dbraw/zinc/15/63/89/389156389.db2.gz LVEHORNZRFTXTM-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2CC2)CC1 ZINC000329363255 389159431 /nfs/dbraw/zinc/15/94/31/389159431.db2.gz ZKVZDMQIVHDUFV-UHFFFAOYSA-N 1 2 289.401 0.367 20 30 CCEDLO O=C(NCC1(CO)COC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329374166 389160531 /nfs/dbraw/zinc/16/05/31/389160531.db2.gz KESAKQDLBWLRBO-CYBMUJFWSA-N 1 2 298.383 0.595 20 30 CCEDLO O=C(NCC1(CO)COC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329374166 389160534 /nfs/dbraw/zinc/16/05/34/389160534.db2.gz KESAKQDLBWLRBO-CYBMUJFWSA-N 1 2 298.383 0.595 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)C[C@H]21 ZINC000329455370 389165185 /nfs/dbraw/zinc/16/51/85/389165185.db2.gz MQCVIWIQYDWUMJ-JHJVBQTASA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)C[C@H]21 ZINC000329455370 389165188 /nfs/dbraw/zinc/16/51/88/389165188.db2.gz MQCVIWIQYDWUMJ-JHJVBQTASA-N 1 2 283.372 0.484 20 30 CCEDLO CCc1cc(C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc(=O)[nH]1 ZINC000329485852 389166680 /nfs/dbraw/zinc/16/66/80/389166680.db2.gz STHAUZWTNLVDRN-ZDUSSCGKSA-N 1 2 292.383 0.900 20 30 CCEDLO CCc1cc(C(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc(=O)[nH]1 ZINC000329485852 389166684 /nfs/dbraw/zinc/16/66/84/389166684.db2.gz STHAUZWTNLVDRN-ZDUSSCGKSA-N 1 2 292.383 0.900 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000359150816 389167644 /nfs/dbraw/zinc/16/76/44/389167644.db2.gz RDEKUQFXNAGXKA-ZJUUUORDSA-N 1 2 250.302 0.044 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000236132360 389167749 /nfs/dbraw/zinc/16/77/49/389167749.db2.gz LVQJKPGQZQUWJJ-LBPRGKRZSA-N 1 2 287.323 0.216 20 30 CCEDLO C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1O ZINC000330645197 389248906 /nfs/dbraw/zinc/24/89/06/389248906.db2.gz YPYGKNMWCFBMJN-VXGBXAGGSA-N 1 2 266.345 0.890 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+]CCCn2cc[nH+]c2)C[C@H]1O ZINC000330645197 389248908 /nfs/dbraw/zinc/24/89/08/389248908.db2.gz YPYGKNMWCFBMJN-VXGBXAGGSA-N 1 2 266.345 0.890 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342979901 389256044 /nfs/dbraw/zinc/25/60/44/389256044.db2.gz NPULCMIHUGUYHM-UHFFFAOYSA-N 1 2 250.302 0.071 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135620613 389259708 /nfs/dbraw/zinc/25/97/08/389259708.db2.gz XNUVNNTUHKUKJF-ZDUSSCGKSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135620613 389259712 /nfs/dbraw/zinc/25/97/12/389259712.db2.gz XNUVNNTUHKUKJF-ZDUSSCGKSA-N 1 2 295.383 0.628 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCCO1 ZINC000329916951 389211442 /nfs/dbraw/zinc/21/14/42/389211442.db2.gz ZCEYAYATXRZRID-LLVKDONJSA-N 1 2 254.330 0.987 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329952131 389213237 /nfs/dbraw/zinc/21/32/37/389213237.db2.gz IQGNVAAECKMRPA-MNOVXSKESA-N 1 2 293.327 0.046 20 30 CCEDLO COc1ncncc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329952131 389213239 /nfs/dbraw/zinc/21/32/39/389213239.db2.gz IQGNVAAECKMRPA-MNOVXSKESA-N 1 2 293.327 0.046 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000329945714 389213362 /nfs/dbraw/zinc/21/33/62/389213362.db2.gz FYVXSLJTPUOEOC-NXEZZACHSA-N 1 2 266.301 0.543 20 30 CCEDLO Cc1cnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000329945714 389213367 /nfs/dbraw/zinc/21/33/67/389213367.db2.gz FYVXSLJTPUOEOC-NXEZZACHSA-N 1 2 266.301 0.543 20 30 CCEDLO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000330441853 389230269 /nfs/dbraw/zinc/23/02/69/389230269.db2.gz FBASSXZZTDLMRY-CQSZACIVSA-N 1 2 278.352 0.993 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C#N ZINC000362208991 389231732 /nfs/dbraw/zinc/23/17/32/389231732.db2.gz VBEVUUVBHFFBDJ-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000330519689 389237780 /nfs/dbraw/zinc/23/77/80/389237780.db2.gz NMPHIFLXKRMXMY-ZDUSSCGKSA-N 1 2 271.361 0.928 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000330519689 389237781 /nfs/dbraw/zinc/23/77/81/389237781.db2.gz NMPHIFLXKRMXMY-ZDUSSCGKSA-N 1 2 271.361 0.928 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000155835386 389321441 /nfs/dbraw/zinc/32/14/41/389321441.db2.gz RLJUQOGVLOZHLN-AWEZNQCLSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)CNc2cccc(C#N)c2)C1 ZINC000155835386 389321443 /nfs/dbraw/zinc/32/14/43/389321443.db2.gz RLJUQOGVLOZHLN-AWEZNQCLSA-N 1 2 288.351 0.417 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156188295 389324304 /nfs/dbraw/zinc/32/43/04/389324304.db2.gz BOGLVAYTRLWYBA-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156188295 389324307 /nfs/dbraw/zinc/32/43/07/389324307.db2.gz BOGLVAYTRLWYBA-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C[S@](=O)CCCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330998530 389278208 /nfs/dbraw/zinc/27/82/08/389278208.db2.gz VKHLOWUMGAWMLO-GIPWTMENSA-N 1 2 298.412 0.718 20 30 CCEDLO C[S@](=O)CCCNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000330998530 389278210 /nfs/dbraw/zinc/27/82/10/389278210.db2.gz VKHLOWUMGAWMLO-GIPWTMENSA-N 1 2 298.412 0.718 20 30 CCEDLO C[S@](=O)CCC[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330998530 389278212 /nfs/dbraw/zinc/27/82/12/389278212.db2.gz VKHLOWUMGAWMLO-GIPWTMENSA-N 1 2 298.412 0.718 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000365836638 389287457 /nfs/dbraw/zinc/28/74/57/389287457.db2.gz IJSAPTURVWOLQJ-ZDUSSCGKSA-N 1 2 283.372 0.486 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000365836638 389287460 /nfs/dbraw/zinc/28/74/60/389287460.db2.gz IJSAPTURVWOLQJ-ZDUSSCGKSA-N 1 2 283.372 0.486 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000366082007 389292140 /nfs/dbraw/zinc/29/21/40/389292140.db2.gz AGIQXKLVVYQHRN-OUCADQQQSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000366082007 389292143 /nfs/dbraw/zinc/29/21/43/389292143.db2.gz AGIQXKLVVYQHRN-OUCADQQQSA-N 1 2 268.357 0.557 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331048430 389296271 /nfs/dbraw/zinc/29/62/71/389296271.db2.gz JOKKRHIYGYEMGO-VIFPVBQESA-N 1 2 281.312 0.431 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331048430 389296274 /nfs/dbraw/zinc/29/62/74/389296274.db2.gz JOKKRHIYGYEMGO-VIFPVBQESA-N 1 2 281.312 0.431 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000332816382 389374822 /nfs/dbraw/zinc/37/48/22/389374822.db2.gz GKHZDBZEVRVJJA-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000332816382 389374827 /nfs/dbraw/zinc/37/48/27/389374827.db2.gz GKHZDBZEVRVJJA-DOMZBBRYSA-N 1 2 293.367 0.429 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(C)[nH+]1 ZINC000268091137 389375486 /nfs/dbraw/zinc/37/54/86/389375486.db2.gz YISHWEHIHFTSSZ-NSHDSACASA-N 1 2 288.307 0.388 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000348510852 389380206 /nfs/dbraw/zinc/38/02/06/389380206.db2.gz NZZVRMJZSNCJHD-UHFFFAOYSA-N 1 2 274.324 0.565 20 30 CCEDLO Cn1cncc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000348738481 389389763 /nfs/dbraw/zinc/38/97/63/389389763.db2.gz HZZMHDTVQPCJCB-UHFFFAOYSA-N 1 2 291.355 0.108 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000348927390 389397349 /nfs/dbraw/zinc/39/73/49/389397349.db2.gz LGPFVHVJRWEYRZ-NSHDSACASA-N 1 2 251.334 0.633 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000348927390 389397351 /nfs/dbraw/zinc/39/73/51/389397351.db2.gz LGPFVHVJRWEYRZ-NSHDSACASA-N 1 2 251.334 0.633 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)CC#N ZINC000349371092 389413504 /nfs/dbraw/zinc/41/35/04/389413504.db2.gz XLTJHNZIQQRRFO-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)CC#N ZINC000349371092 389413508 /nfs/dbraw/zinc/41/35/08/389413508.db2.gz XLTJHNZIQQRRFO-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO N#CCCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159324102 389364238 /nfs/dbraw/zinc/36/42/38/389364238.db2.gz RQAIAYGUSCCSMD-GFCCVEGCSA-N 1 2 294.380 0.883 20 30 CCEDLO N#CC[N@@H+](CCCC(=O)NC(N)=O)C1CCCC1 ZINC000172572152 389490216 /nfs/dbraw/zinc/49/02/16/389490216.db2.gz ZVAVMZRGZPJMHZ-UHFFFAOYSA-N 1 2 252.318 0.730 20 30 CCEDLO N#CC[N@H+](CCCC(=O)NC(N)=O)C1CCCC1 ZINC000172572152 389490218 /nfs/dbraw/zinc/49/02/18/389490218.db2.gz ZVAVMZRGZPJMHZ-UHFFFAOYSA-N 1 2 252.318 0.730 20 30 CCEDLO C[C@H](CCC#N)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000411490500 389431634 /nfs/dbraw/zinc/43/16/34/389431634.db2.gz CRXSQWOHGMYHCB-MNOVXSKESA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@H](CCC#N)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000411490500 389431637 /nfs/dbraw/zinc/43/16/37/389431637.db2.gz CRXSQWOHGMYHCB-MNOVXSKESA-N 1 2 259.375 0.644 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271438133 389442656 /nfs/dbraw/zinc/44/26/56/389442656.db2.gz BALOKQDLFALSAE-ZDUSSCGKSA-N 1 2 291.376 0.992 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000271438133 389442658 /nfs/dbraw/zinc/44/26/58/389442658.db2.gz BALOKQDLFALSAE-ZDUSSCGKSA-N 1 2 291.376 0.992 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411856384 389453137 /nfs/dbraw/zinc/45/31/37/389453137.db2.gz HBUPDTZFTRRLDM-LBPRGKRZSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411856384 389453141 /nfs/dbraw/zinc/45/31/41/389453141.db2.gz HBUPDTZFTRRLDM-LBPRGKRZSA-N 1 2 281.356 0.499 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000373957170 389530180 /nfs/dbraw/zinc/53/01/80/389530180.db2.gz HSWOGHRITCTDKQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000373957170 389530185 /nfs/dbraw/zinc/53/01/85/389530185.db2.gz HSWOGHRITCTDKQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C)C1=O ZINC000281138854 389608904 /nfs/dbraw/zinc/60/89/04/389608904.db2.gz DNZZAEZWOZXZHP-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2C)C1=O ZINC000281138854 389608910 /nfs/dbraw/zinc/60/89/10/389608910.db2.gz DNZZAEZWOZXZHP-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281332908 389614558 /nfs/dbraw/zinc/61/45/58/389614558.db2.gz LYHYEALISLLDMY-NSHDSACASA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281332908 389614561 /nfs/dbraw/zinc/61/45/61/389614561.db2.gz LYHYEALISLLDMY-NSHDSACASA-N 1 2 251.330 0.007 20 30 CCEDLO Cn1nncc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000351591794 389624958 /nfs/dbraw/zinc/62/49/58/389624958.db2.gz HHZDIWOPNSQENC-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO NC(=[NH+]O[C@H]1CCNC1=O)c1ccc2c(c1)CCO2 ZINC000178976975 389631230 /nfs/dbraw/zinc/63/12/30/389631230.db2.gz DHUJZCURXMRPJU-NSHDSACASA-N 1 2 261.281 0.147 20 30 CCEDLO NC(=[NH+]O[C@@H]1CCNC1=O)c1cccc(Cl)c1 ZINC000179118252 389638286 /nfs/dbraw/zinc/63/82/86/389638286.db2.gz NOWASHGSOSLANG-SECBINFHSA-N 1 2 253.689 0.865 20 30 CCEDLO COC(=O)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(C)C ZINC000351446259 389582781 /nfs/dbraw/zinc/58/27/81/389582781.db2.gz SERRWBBVGUBZCQ-CYBMUJFWSA-N 1 2 281.356 0.536 20 30 CCEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ncnn1C ZINC000177675812 389590240 /nfs/dbraw/zinc/59/02/40/389590240.db2.gz XNYFRKCWIJBYHB-SECBINFHSA-N 1 2 255.322 0.665 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000182641169 389713018 /nfs/dbraw/zinc/71/30/18/389713018.db2.gz FIBKJKJKSPSARA-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000182641169 389713019 /nfs/dbraw/zinc/71/30/19/389713019.db2.gz FIBKJKJKSPSARA-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000182872480 389719585 /nfs/dbraw/zinc/71/95/85/389719585.db2.gz ORKOWYGHIOREFW-OLZOCXBDSA-N 1 2 280.372 0.652 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2C(N)=O)C1=O ZINC000282039362 389649252 /nfs/dbraw/zinc/64/92/52/389649252.db2.gz QSGIJJPBKRBFBJ-QWRGUYRKSA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2C(N)=O)C1=O ZINC000282039362 389649254 /nfs/dbraw/zinc/64/92/54/389649254.db2.gz QSGIJJPBKRBFBJ-QWRGUYRKSA-N 1 2 251.330 0.113 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181320530 389684513 /nfs/dbraw/zinc/68/45/13/389684513.db2.gz UKBFXVWIHYGIBQ-SFYZADRCSA-N 1 2 254.252 0.532 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181320530 389684518 /nfs/dbraw/zinc/68/45/18/389684518.db2.gz UKBFXVWIHYGIBQ-SFYZADRCSA-N 1 2 254.252 0.532 20 30 CCEDLO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1COC[C@H]1O ZINC000428970375 389730348 /nfs/dbraw/zinc/73/03/48/389730348.db2.gz UAVDIVRANBAPMQ-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1COC[C@H]1O ZINC000428970375 389730351 /nfs/dbraw/zinc/73/03/51/389730351.db2.gz UAVDIVRANBAPMQ-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)C#N ZINC000376188370 389730612 /nfs/dbraw/zinc/73/06/12/389730612.db2.gz PQCSKQPYEWOQPQ-NWDGAFQWSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376286012 389732304 /nfs/dbraw/zinc/73/23/04/389732304.db2.gz QIGGXJHYIAZUNV-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376419250 389735322 /nfs/dbraw/zinc/73/53/22/389735322.db2.gz FEOFIZLQCSAJMH-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@H]1C ZINC000416396784 389738877 /nfs/dbraw/zinc/73/88/77/389738877.db2.gz FIBQHUVIMAFJMI-VXGBXAGGSA-N 1 2 289.401 0.271 20 30 CCEDLO CCOCC[N@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@H]1C ZINC000416396784 389738881 /nfs/dbraw/zinc/73/88/81/389738881.db2.gz FIBQHUVIMAFJMI-VXGBXAGGSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000416477281 389747647 /nfs/dbraw/zinc/74/76/47/389747647.db2.gz ROLXFWJGRJEGIN-NSHDSACASA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000416477281 389747649 /nfs/dbraw/zinc/74/76/49/389747649.db2.gz ROLXFWJGRJEGIN-NSHDSACASA-N 1 2 289.401 0.271 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cocn2)CC1 ZINC000432736929 389887591 /nfs/dbraw/zinc/88/75/91/389887591.db2.gz ZMMACPBUFUOZOH-UHFFFAOYSA-N 1 2 264.329 0.094 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433312393 389908108 /nfs/dbraw/zinc/90/81/08/389908108.db2.gz LWLSDPPBHSCTSB-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433312393 389908111 /nfs/dbraw/zinc/90/81/11/389908111.db2.gz LWLSDPPBHSCTSB-UHFFFAOYSA-N 1 2 255.318 0.147 20 30 CCEDLO CCOC1CC(CNC(=O)[C@H](C)C#N)([NH+]2CCOCC2)C1 ZINC000444577039 389909468 /nfs/dbraw/zinc/90/94/68/389909468.db2.gz KKTYSCVRONBTLQ-DNOWBOINSA-N 1 2 295.383 0.532 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444724956 389915721 /nfs/dbraw/zinc/91/57/21/389915721.db2.gz LRJXIJGYRGXJSQ-PSASIEDQSA-N 1 2 279.262 0.261 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444724956 389915724 /nfs/dbraw/zinc/91/57/24/389915724.db2.gz LRJXIJGYRGXJSQ-PSASIEDQSA-N 1 2 279.262 0.261 20 30 CCEDLO C=CCCOCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434284024 389928721 /nfs/dbraw/zinc/92/87/21/389928721.db2.gz VQOSROJHQSTIBP-AWEZNQCLSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000447938165 389973605 /nfs/dbraw/zinc/97/36/05/389973605.db2.gz FDXVWEODAFXVOC-UHFFFAOYSA-N 1 2 276.402 0.594 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448585020 389987764 /nfs/dbraw/zinc/98/77/64/389987764.db2.gz JHQIITXSFHXDFS-UHFFFAOYSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2cncc(C#N)n2)CCO1 ZINC000420607373 390016405 /nfs/dbraw/zinc/01/64/05/390016405.db2.gz BNHSABFVXLTZQL-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2cncc(C#N)n2)CCO1 ZINC000420607373 390016407 /nfs/dbraw/zinc/01/64/07/390016407.db2.gz BNHSABFVXLTZQL-GFCCVEGCSA-N 1 2 261.329 0.871 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)COCC)[C@@H]1CCS(=O)(=O)C1 ZINC000440295713 390034886 /nfs/dbraw/zinc/03/48/86/390034886.db2.gz NQDGAMMIGHRGOW-VXGBXAGGSA-N 1 2 277.386 0.059 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)COCC)[C@@H]1CCS(=O)(=O)C1 ZINC000440295713 390034888 /nfs/dbraw/zinc/03/48/88/390034888.db2.gz NQDGAMMIGHRGOW-VXGBXAGGSA-N 1 2 277.386 0.059 20 30 CCEDLO C#CC[N@@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491327263 390111973 /nfs/dbraw/zinc/11/19/73/390111973.db2.gz UWFAJQOMOJQEFU-UHFFFAOYSA-N 1 2 259.269 0.600 20 30 CCEDLO C#CC[N@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491327263 390111974 /nfs/dbraw/zinc/11/19/74/390111974.db2.gz UWFAJQOMOJQEFU-UHFFFAOYSA-N 1 2 259.269 0.600 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000491789001 390116720 /nfs/dbraw/zinc/11/67/20/390116720.db2.gz UBZCEQCFDDSLRU-UHFFFAOYSA-N 1 2 288.376 0.976 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccnc2)c1C#N ZINC000534795187 390131561 /nfs/dbraw/zinc/13/15/61/390131561.db2.gz FAQYVHNICQIARD-UHFFFAOYSA-N 1 2 284.323 0.503 20 30 CCEDLO C=CCNC(=O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579117056 390143426 /nfs/dbraw/zinc/14/34/26/390143426.db2.gz HHQZPFDLUHGUNT-JTQLQIEISA-N 1 2 250.302 0.253 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494314461 390164693 /nfs/dbraw/zinc/16/46/93/390164693.db2.gz KFSFXHOZXBSHKU-VXGBXAGGSA-N 1 2 294.355 0.273 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494314461 390164695 /nfs/dbraw/zinc/16/46/95/390164695.db2.gz KFSFXHOZXBSHKU-VXGBXAGGSA-N 1 2 294.355 0.273 20 30 CCEDLO CC(C)N(CCC#N)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000543551627 390283596 /nfs/dbraw/zinc/28/35/96/390283596.db2.gz WQKQGXPGMODMOC-ZDUSSCGKSA-N 1 2 266.389 0.773 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cncs1 ZINC000584414108 390342296 /nfs/dbraw/zinc/34/22/96/390342296.db2.gz IIXVRBYJCRXMOI-NSHDSACASA-N 1 2 252.343 0.646 20 30 CCEDLO C=CCn1cc(C(=O)N(C)CCCn2cc[nH+]c2)nn1 ZINC000648831639 390418087 /nfs/dbraw/zinc/41/80/87/390418087.db2.gz FVQCAPHDSXKDKT-UHFFFAOYSA-N 1 2 274.328 0.823 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000645511588 390439194 /nfs/dbraw/zinc/43/91/94/390439194.db2.gz VNFIYZFOVKZXRF-WDEREUQCSA-N 1 2 276.340 0.341 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000645511588 390439198 /nfs/dbraw/zinc/43/91/98/390439198.db2.gz VNFIYZFOVKZXRF-WDEREUQCSA-N 1 2 276.340 0.341 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000564112185 390495165 /nfs/dbraw/zinc/49/51/65/390495165.db2.gz DXSOXCABPLQOTK-CMPLNLGQSA-N 1 2 260.297 0.196 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000649183737 390513414 /nfs/dbraw/zinc/51/34/14/390513414.db2.gz ZCVHCXLXUQTPIL-ZFWWWQNUSA-N 1 2 294.395 0.520 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000649183737 390513419 /nfs/dbraw/zinc/51/34/19/390513419.db2.gz ZCVHCXLXUQTPIL-ZFWWWQNUSA-N 1 2 294.395 0.520 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000649184258 390513595 /nfs/dbraw/zinc/51/35/95/390513595.db2.gz GMBYSKALPDUXSL-GFCCVEGCSA-N 1 2 284.319 0.771 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000519602971 390516134 /nfs/dbraw/zinc/51/61/34/390516134.db2.gz HSWILWKWTNCJQS-OAHLLOKOSA-N 1 2 288.351 0.288 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C#N)CCO1 ZINC000523077607 390633654 /nfs/dbraw/zinc/63/36/54/390633654.db2.gz SPUCJEWCCJSXPW-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C#N)CCO1 ZINC000523077607 390633656 /nfs/dbraw/zinc/63/36/56/390633656.db2.gz SPUCJEWCCJSXPW-JTQLQIEISA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cncc(C#N)n1 ZINC000566793612 390647805 /nfs/dbraw/zinc/64/78/05/390647805.db2.gz XROCNIVGEBCOBG-YPMHNXCESA-N 1 2 273.340 0.648 20 30 CCEDLO COC(=O)CCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995907 390711979 /nfs/dbraw/zinc/71/19/79/390711979.db2.gz YQEVQYPYXJTJIY-GFCCVEGCSA-N 1 2 255.318 0.290 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569942696 390716868 /nfs/dbraw/zinc/71/68/68/390716868.db2.gz XARDSVXZFWLEDJ-VIFPVBQESA-N 1 2 271.346 0.178 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569942696 390716869 /nfs/dbraw/zinc/71/68/69/390716869.db2.gz XARDSVXZFWLEDJ-VIFPVBQESA-N 1 2 271.346 0.178 20 30 CCEDLO C=CC[N@@H+](Cc1ncccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000567311467 390692472 /nfs/dbraw/zinc/69/24/72/390692472.db2.gz FIIYYGWCESQRAE-NSHDSACASA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@H+](Cc1ncccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000567311467 390692474 /nfs/dbraw/zinc/69/24/74/390692474.db2.gz FIIYYGWCESQRAE-NSHDSACASA-N 1 2 282.365 0.962 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528722658 390771027 /nfs/dbraw/zinc/77/10/27/390771027.db2.gz SRUVUZPRCBSLCG-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528722658 390771029 /nfs/dbraw/zinc/77/10/29/390771029.db2.gz SRUVUZPRCBSLCG-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2ccccn2c1=O ZINC000577956321 390855324 /nfs/dbraw/zinc/85/53/24/390855324.db2.gz YJFXWHXAVIHQSN-HNNXBMFYSA-N 1 2 299.334 0.268 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cccc(C#N)c1 ZINC000530908162 390878012 /nfs/dbraw/zinc/87/80/12/390878012.db2.gz LUMJDSOTAOZURI-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000578667217 390897812 /nfs/dbraw/zinc/89/78/12/390897812.db2.gz JVRMWLCQEQZAFU-PWSUYJOCSA-N 1 2 295.339 0.449 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000578667217 390897813 /nfs/dbraw/zinc/89/78/13/390897813.db2.gz JVRMWLCQEQZAFU-PWSUYJOCSA-N 1 2 295.339 0.449 20 30 CCEDLO CO[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1OC ZINC000330178561 533443216 /nfs/dbraw/zinc/44/32/16/533443216.db2.gz LRPKUUHFKUSZLJ-SDDRHHMPSA-N 1 2 294.355 0.458 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000268584283 132030595 /nfs/dbraw/zinc/03/05/95/132030595.db2.gz UMHVCEBMMWSUPU-STQMWFEESA-N 1 2 273.398 0.989 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000268584283 132030597 /nfs/dbraw/zinc/03/05/97/132030597.db2.gz UMHVCEBMMWSUPU-STQMWFEESA-N 1 2 273.398 0.989 20 30 CCEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000548317799 286026417 /nfs/dbraw/zinc/02/64/17/286026417.db2.gz LNPLLQXQKPMBHS-LBPRGKRZSA-N 1 2 296.334 0.115 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408430703 287142246 /nfs/dbraw/zinc/14/22/46/287142246.db2.gz XFWXFIIANRMGPE-GWCFXTLKSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408430703 287142248 /nfs/dbraw/zinc/14/22/48/287142248.db2.gz XFWXFIIANRMGPE-GWCFXTLKSA-N 1 2 284.319 0.855 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000008532945 170339097 /nfs/dbraw/zinc/33/90/97/170339097.db2.gz ADUBLPZTDOACFJ-UHFFFAOYSA-N 1 2 280.353 0.754 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000008532945 170339098 /nfs/dbraw/zinc/33/90/98/170339098.db2.gz ADUBLPZTDOACFJ-UHFFFAOYSA-N 1 2 280.353 0.754 20 30 CCEDLO C=CC[C@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651723892 411923231 /nfs/dbraw/zinc/92/32/31/411923231.db2.gz DMTDQSIRYSSXEK-LLVKDONJSA-N 1 2 263.341 0.815 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027384512 171515616 /nfs/dbraw/zinc/51/56/16/171515616.db2.gz UBXNAUDEMWLVDX-UHFFFAOYSA-N 1 2 271.364 0.866 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)nn1 ZINC000653594478 412322171 /nfs/dbraw/zinc/32/21/71/412322171.db2.gz VHWOGBLASGFMRU-JTQLQIEISA-N 1 2 264.333 0.097 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)nn1 ZINC000653594478 412322173 /nfs/dbraw/zinc/32/21/73/412322173.db2.gz VHWOGBLASGFMRU-JTQLQIEISA-N 1 2 264.333 0.097 20 30 CCEDLO C=CCCn1cc(C[NH2+]C(C)(C)C(=O)NCC)nn1 ZINC000653756251 412342312 /nfs/dbraw/zinc/34/23/12/412342312.db2.gz DCRUIMDQPUVVQC-UHFFFAOYSA-N 1 2 265.361 0.859 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)nn1 ZINC000653768586 412343147 /nfs/dbraw/zinc/34/31/47/412343147.db2.gz SCEUYVKNWHRYJV-GFCCVEGCSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)nn1 ZINC000653768586 412343149 /nfs/dbraw/zinc/34/31/49/412343149.db2.gz SCEUYVKNWHRYJV-GFCCVEGCSA-N 1 2 263.345 0.565 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654982841 412456612 /nfs/dbraw/zinc/45/66/12/412456612.db2.gz IFMHEJDEWGBIIV-QWRGUYRKSA-N 1 2 251.330 0.889 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654982841 412456614 /nfs/dbraw/zinc/45/66/14/412456614.db2.gz IFMHEJDEWGBIIV-QWRGUYRKSA-N 1 2 251.330 0.889 20 30 CCEDLO C=CCOCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215065 414197653 /nfs/dbraw/zinc/19/76/53/414197653.db2.gz IZIZKHMEPYRGQL-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CC[N@H+](CC(=O)Nc1nncs1)[C@H](C)COC ZINC000661242757 414584468 /nfs/dbraw/zinc/58/44/68/414584468.db2.gz SULKPXLDXFJHSZ-SECBINFHSA-N 1 2 270.358 1.000 20 30 CCEDLO C=CC[N@@H+](CC(=O)Nc1nncs1)[C@H](C)COC ZINC000661242757 414584472 /nfs/dbraw/zinc/58/44/72/414584472.db2.gz SULKPXLDXFJHSZ-SECBINFHSA-N 1 2 270.358 1.000 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@H](C)c2[nH+]ccn2C)C1=O ZINC000663326631 415044061 /nfs/dbraw/zinc/04/40/61/415044061.db2.gz CWERPTDONKCIKC-ZJUUUORDSA-N 1 2 278.312 0.604 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000330101295 227030575 /nfs/dbraw/zinc/03/05/75/227030575.db2.gz FJPLVTOZQKNZIJ-SNVBAGLBSA-N 1 2 265.317 0.442 20 30 CCEDLO Cc1nccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000330101295 227030579 /nfs/dbraw/zinc/03/05/79/227030579.db2.gz FJPLVTOZQKNZIJ-SNVBAGLBSA-N 1 2 265.317 0.442 20 30 CCEDLO Cn1cc(C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)cn1 ZINC000352789479 227226944 /nfs/dbraw/zinc/22/69/44/227226944.db2.gz ODULDONNZBUERL-CQSZACIVSA-N 1 2 286.383 0.981 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329065505 227278883 /nfs/dbraw/zinc/27/88/83/227278883.db2.gz WFHPALTXGNDIIC-KOLCDFICSA-N 1 2 251.330 0.800 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329065505 227278884 /nfs/dbraw/zinc/27/88/84/227278884.db2.gz WFHPALTXGNDIIC-KOLCDFICSA-N 1 2 251.330 0.800 20 30 CCEDLO C[C@H](CNC(=O)N[C@]1(C)CCCOC1)[NH+]1CCOCC1 ZINC000329150572 227327700 /nfs/dbraw/zinc/32/77/00/227327700.db2.gz RSGAMRBYDWLQLJ-TZMCWYRMSA-N 1 2 285.388 0.780 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1(CO)CCC1 ZINC000330284487 228092466 /nfs/dbraw/zinc/09/24/66/228092466.db2.gz XNODOMGTYJQVSJ-SNVBAGLBSA-N 1 2 264.329 0.617 20 30 CCEDLO [O-]C(NC1(CO)CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330284487 228092469 /nfs/dbraw/zinc/09/24/69/228092469.db2.gz XNODOMGTYJQVSJ-SNVBAGLBSA-N 1 2 264.329 0.617 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(O)CCSC1 ZINC000328942833 545020386 /nfs/dbraw/zinc/02/03/86/545020386.db2.gz FQEBUDAGSZGSNQ-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(O)CCSC1 ZINC000328942833 545020388 /nfs/dbraw/zinc/02/03/88/545020388.db2.gz FQEBUDAGSZGSNQ-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000038034664 260124532 /nfs/dbraw/zinc/12/45/32/260124532.db2.gz GFCNREBCZPDCOH-LBPRGKRZSA-N 1 2 288.307 0.779 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000073299020 260281101 /nfs/dbraw/zinc/28/11/01/260281101.db2.gz ZRUQDDPFCXYTKQ-UHFFFAOYSA-N 1 2 286.379 0.834 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccon1 ZINC000081158494 260331030 /nfs/dbraw/zinc/33/10/30/260331030.db2.gz QCAOOLYJCVIHCO-UHFFFAOYSA-N 1 2 264.329 0.722 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000490830995 261219813 /nfs/dbraw/zinc/21/98/13/261219813.db2.gz OQOLNRXLZVZIQK-AWEZNQCLSA-N 1 2 259.353 0.953 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000490830995 261219816 /nfs/dbraw/zinc/21/98/16/261219816.db2.gz OQOLNRXLZVZIQK-AWEZNQCLSA-N 1 2 259.353 0.953 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000249240666 261248610 /nfs/dbraw/zinc/24/86/10/261248610.db2.gz QDJKZQHUBOSCMK-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000249240666 261248611 /nfs/dbraw/zinc/24/86/11/261248611.db2.gz QDJKZQHUBOSCMK-NXEZZACHSA-N 1 2 255.318 0.107 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(C#N)nc1 ZINC000527974372 269872117 /nfs/dbraw/zinc/87/21/17/269872117.db2.gz WLOCZUCCLLDEBD-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000497229198 262117248 /nfs/dbraw/zinc/11/72/48/262117248.db2.gz PPCODCSFSGYWLO-LBPRGKRZSA-N 1 2 296.371 0.617 20 30 CCEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000497229198 262117250 /nfs/dbraw/zinc/11/72/50/262117250.db2.gz PPCODCSFSGYWLO-LBPRGKRZSA-N 1 2 296.371 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364548930 262253963 /nfs/dbraw/zinc/25/39/63/262253963.db2.gz IFLDVZWOMCNCPB-UHFFFAOYSA-N 1 2 291.351 0.730 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364548930 262253965 /nfs/dbraw/zinc/25/39/65/262253965.db2.gz IFLDVZWOMCNCPB-UHFFFAOYSA-N 1 2 291.351 0.730 20 30 CCEDLO N#CC1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCCCC1 ZINC000365391296 262363009 /nfs/dbraw/zinc/36/30/09/262363009.db2.gz DZWMHZHFIZTTBU-UHFFFAOYSA-N 1 2 292.383 0.480 20 30 CCEDLO N#CC1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCCCC1 ZINC000365391296 262363013 /nfs/dbraw/zinc/36/30/13/262363013.db2.gz DZWMHZHFIZTTBU-UHFFFAOYSA-N 1 2 292.383 0.480 20 30 CCEDLO NC(COc1ccccc1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000263850823 262855029 /nfs/dbraw/zinc/85/50/29/262855029.db2.gz CPFXCSMWCPIDBT-SNVBAGLBSA-N 1 2 265.269 0.463 20 30 CCEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1 ZINC000274360279 263023528 /nfs/dbraw/zinc/02/35/28/263023528.db2.gz NEJOQJGELYLPHJ-SNVBAGLBSA-N 1 2 293.323 0.887 20 30 CCEDLO CC1(C#N)CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000280333130 263060410 /nfs/dbraw/zinc/06/04/10/263060410.db2.gz ATXFTCAQNTTYHF-UHFFFAOYSA-N 1 2 299.378 0.576 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1CCc2sccc2C1 ZINC000283286897 263082165 /nfs/dbraw/zinc/08/21/65/263082165.db2.gz GVSMPPHHILUUND-SECBINFHSA-N 1 2 297.380 0.693 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)no1 ZINC000283761897 263084052 /nfs/dbraw/zinc/08/40/52/263084052.db2.gz BAVACXQEGQEQTF-MRVPVSSYSA-N 1 2 268.273 0.389 20 30 CCEDLO COCc1noc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284067052 263085717 /nfs/dbraw/zinc/08/57/17/263085717.db2.gz JXLWKICKBYPENT-JGVFFNPUSA-N 1 2 270.289 0.745 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)C)cc1 ZINC000289316828 263109054 /nfs/dbraw/zinc/10/90/54/263109054.db2.gz BSXLYNOWMULNCH-UHFFFAOYSA-N 1 2 251.286 0.420 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000340590280 263214548 /nfs/dbraw/zinc/21/45/48/263214548.db2.gz PHYUSSOQAWSSLO-CMPLNLGQSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000340590280 263214549 /nfs/dbraw/zinc/21/45/49/263214549.db2.gz PHYUSSOQAWSSLO-CMPLNLGQSA-N 1 2 295.339 0.591 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000043562640 263295999 /nfs/dbraw/zinc/29/59/99/263295999.db2.gz VCTSXWTVVOYKQC-DCAQKATOSA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122436810 263302719 /nfs/dbraw/zinc/30/27/19/263302719.db2.gz MHCFZBULTXYWRD-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122436810 263302722 /nfs/dbraw/zinc/30/27/22/263302722.db2.gz MHCFZBULTXYWRD-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000342180345 263394266 /nfs/dbraw/zinc/39/42/66/263394266.db2.gz ANIKGQIWYCNMNI-ZDUSSCGKSA-N 1 2 268.405 0.840 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000330676812 264014944 /nfs/dbraw/zinc/01/49/44/264014944.db2.gz KOUHAOSDRNAFJI-IONNQARKSA-N 1 2 265.235 0.014 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000330676812 264014946 /nfs/dbraw/zinc/01/49/46/264014946.db2.gz KOUHAOSDRNAFJI-IONNQARKSA-N 1 2 265.235 0.014 20 30 CCEDLO CCc1nc(C(=O)NC[C@H]2C[N@H+](C)CCO2)co1 ZINC000330813723 264045738 /nfs/dbraw/zinc/04/57/38/264045738.db2.gz FLGQPYKKCDAZSF-VIFPVBQESA-N 1 2 253.302 0.872 20 30 CCEDLO CCc1nc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)co1 ZINC000330813723 264045741 /nfs/dbraw/zinc/04/57/41/264045741.db2.gz FLGQPYKKCDAZSF-VIFPVBQESA-N 1 2 253.302 0.872 20 30 CCEDLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCc1[nH+]ccn1C ZINC000330831601 264049678 /nfs/dbraw/zinc/04/96/78/264049678.db2.gz HBVPEOIFVZFIHN-SSDOTTSWSA-N 1 2 280.250 0.689 20 30 CCEDLO CCCCNC(=O)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330786079 264053397 /nfs/dbraw/zinc/05/33/97/264053397.db2.gz VANVEEHXXJZLOU-UHFFFAOYSA-N 1 2 279.344 0.529 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000330790392 264053973 /nfs/dbraw/zinc/05/39/73/264053973.db2.gz ARPIDZDLKWMJBT-NEPJUHHUSA-N 1 2 286.420 0.143 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000330790392 264053974 /nfs/dbraw/zinc/05/39/74/264053974.db2.gz ARPIDZDLKWMJBT-NEPJUHHUSA-N 1 2 286.420 0.143 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CCO1 ZINC000330894398 264077528 /nfs/dbraw/zinc/07/75/28/264077528.db2.gz ZOXARQXMKNJWOM-MNOVXSKESA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CCO1 ZINC000330894398 264077530 /nfs/dbraw/zinc/07/75/30/264077530.db2.gz ZOXARQXMKNJWOM-MNOVXSKESA-N 1 2 287.360 0.161 20 30 CCEDLO C[C@H](CNC(=O)CC(C)(C)C#N)[NH+]1CCOCC1 ZINC000330945489 264084900 /nfs/dbraw/zinc/08/49/00/264084900.db2.gz GZXNIQIVGAIUSM-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C)C(=O)CC[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330962125 264089227 /nfs/dbraw/zinc/08/92/27/264089227.db2.gz KBRXQJHGCYIALZ-LLVKDONJSA-N 1 2 293.371 0.427 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000330961230 264089279 /nfs/dbraw/zinc/08/92/79/264089279.db2.gz BQSKWEFPYCUJIY-ONGXEEELSA-N 1 2 293.289 0.746 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000330961230 264089281 /nfs/dbraw/zinc/08/92/81/264089281.db2.gz BQSKWEFPYCUJIY-ONGXEEELSA-N 1 2 293.289 0.746 20 30 CCEDLO CC(C)N(C[C@@H](C)O)C(=O)NCC[NH+]1CCOCC1 ZINC000331004253 264105421 /nfs/dbraw/zinc/10/54/21/264105421.db2.gz WAHVJZGEMHZTLW-GFCCVEGCSA-N 1 2 273.377 0.324 20 30 CCEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331007151 264106700 /nfs/dbraw/zinc/10/67/00/264106700.db2.gz QDDGURYUTFEWFP-NSHDSACASA-N 1 2 279.344 0.813 20 30 CCEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331007151 264106702 /nfs/dbraw/zinc/10/67/02/264106702.db2.gz QDDGURYUTFEWFP-NSHDSACASA-N 1 2 279.344 0.813 20 30 CCEDLO CSc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1C ZINC000331075523 264115157 /nfs/dbraw/zinc/11/51/57/264115157.db2.gz HPDLGHITDAVENI-SECBINFHSA-N 1 2 284.385 0.777 20 30 CCEDLO CSc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1C ZINC000331075523 264115159 /nfs/dbraw/zinc/11/51/59/264115159.db2.gz HPDLGHITDAVENI-SECBINFHSA-N 1 2 284.385 0.777 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331123044 264131990 /nfs/dbraw/zinc/13/19/90/264131990.db2.gz BURXXELKLAVFOX-UHFFFAOYSA-N 1 2 291.298 0.295 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1nccnc1N ZINC000331355714 264207777 /nfs/dbraw/zinc/20/77/77/264207777.db2.gz RAACBYQGKDKPNF-UHFFFAOYSA-N 1 2 279.344 0.474 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000126215974 264210501 /nfs/dbraw/zinc/21/05/01/264210501.db2.gz DQKZDTBIGWQHLX-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000126215974 264210505 /nfs/dbraw/zinc/21/05/05/264210505.db2.gz DQKZDTBIGWQHLX-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO Cn1nccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000126202692 264212393 /nfs/dbraw/zinc/21/23/93/264212393.db2.gz BFEXMEDVLWYVSG-UHFFFAOYSA-N 1 2 291.355 0.108 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000251862826 264296020 /nfs/dbraw/zinc/29/60/20/264296020.db2.gz OJTGDAQDJXOLGJ-AGIUHOORSA-N 1 2 283.372 0.483 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000251862826 264296022 /nfs/dbraw/zinc/29/60/22/264296022.db2.gz OJTGDAQDJXOLGJ-AGIUHOORSA-N 1 2 283.372 0.483 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000253373213 264331998 /nfs/dbraw/zinc/33/19/98/264331998.db2.gz ICDRUNNYHCTDET-ZDUSSCGKSA-N 1 2 291.351 0.662 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000253373213 264331999 /nfs/dbraw/zinc/33/19/99/264331999.db2.gz ICDRUNNYHCTDET-ZDUSSCGKSA-N 1 2 291.351 0.662 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000192224065 264556557 /nfs/dbraw/zinc/55/65/57/264556557.db2.gz WBSMIHNLMSPKRD-UHFFFAOYSA-N 1 2 281.337 0.362 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000192224065 264556559 /nfs/dbraw/zinc/55/65/59/264556559.db2.gz WBSMIHNLMSPKRD-UHFFFAOYSA-N 1 2 281.337 0.362 20 30 CCEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000103492193 264725577 /nfs/dbraw/zinc/72/55/77/264725577.db2.gz NRYKOGWKWJZWSG-CYBMUJFWSA-N 1 2 278.400 0.965 20 30 CCEDLO CCO[C@H](CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000518931675 265229584 /nfs/dbraw/zinc/22/95/84/265229584.db2.gz PQAFHXPMDQNJRB-CQSZACIVSA-N 1 2 297.399 0.876 20 30 CCEDLO N#Cc1cccc(C[NH2+][C@@]2(C(N)=O)CCOC2)c1F ZINC000518995809 265287080 /nfs/dbraw/zinc/28/70/80/265287080.db2.gz JTLKFFCEAVFZDW-ZDUSSCGKSA-N 1 2 263.272 0.431 20 30 CCEDLO C=C(C)COCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302887486 265992891 /nfs/dbraw/zinc/99/28/91/265992891.db2.gz NURPHZHFRGQGRK-UHFFFAOYSA-N 1 2 262.317 0.950 20 30 CCEDLO C=CCCCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000356242562 266079524 /nfs/dbraw/zinc/07/95/24/266079524.db2.gz AJETWCBSHBEXCV-UHFFFAOYSA-N 1 2 269.389 0.915 20 30 CCEDLO C=CCCCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000356242562 266079527 /nfs/dbraw/zinc/07/95/27/266079527.db2.gz AJETWCBSHBEXCV-UHFFFAOYSA-N 1 2 269.389 0.915 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000356841790 266185835 /nfs/dbraw/zinc/18/58/35/266185835.db2.gz UYEUEUXYSXSIAH-JHJVBQTASA-N 1 2 275.352 0.817 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000357586048 266330984 /nfs/dbraw/zinc/33/09/84/266330984.db2.gz CCTASXAOZFDWKU-CYBMUJFWSA-N 1 2 280.416 0.982 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000357816193 266371565 /nfs/dbraw/zinc/37/15/65/266371565.db2.gz AMSDBPCARBWQJW-DGCLKSJQSA-N 1 2 283.397 0.470 20 30 CCEDLO C#CCCS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000367957505 267130606 /nfs/dbraw/zinc/13/06/06/267130606.db2.gz KYUOZFMRQIUQCW-UHFFFAOYSA-N 1 2 290.348 0.710 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2nccnc2C)CC1 ZINC000370536294 267327265 /nfs/dbraw/zinc/32/72/65/267327265.db2.gz QXLDLMGTXYPAIP-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CO[C@H](C)C2)c1C#N ZINC000527135242 267347485 /nfs/dbraw/zinc/34/74/85/267347485.db2.gz UDMVRLSJLROIBE-NXEZZACHSA-N 1 2 291.355 0.219 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC000365267547 294236259 /nfs/dbraw/zinc/23/62/59/294236259.db2.gz XOUPXMJVPIRILU-GFCCVEGCSA-N 1 2 260.297 0.533 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC000365267547 294236260 /nfs/dbraw/zinc/23/62/60/294236260.db2.gz XOUPXMJVPIRILU-GFCCVEGCSA-N 1 2 260.297 0.533 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571040057 327979385 /nfs/dbraw/zinc/97/93/85/327979385.db2.gz QKKNXGHAHLOCQN-AAEUAGOBSA-N 1 2 299.334 0.983 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000531810474 328038948 /nfs/dbraw/zinc/03/89/48/328038948.db2.gz FGMWKTZMMOIBHL-NSHDSACASA-N 1 2 287.367 0.934 20 30 CCEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC000563469820 328068907 /nfs/dbraw/zinc/06/89/07/328068907.db2.gz QJOWWNLCSQZEEK-VXGBXAGGSA-N 1 2 289.339 0.805 20 30 CCEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NC2CC2)cs1 ZINC000266603536 328169677 /nfs/dbraw/zinc/16/96/77/328169677.db2.gz FGYTYOKUAZQFGE-ZETCQYMHSA-N 1 2 282.369 0.950 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)c[nH]1 ZINC000293265200 328274953 /nfs/dbraw/zinc/27/49/53/328274953.db2.gz BOGZWAGOABGKKP-UHFFFAOYSA-N 1 2 294.330 0.842 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425293976 328398590 /nfs/dbraw/zinc/39/85/90/328398590.db2.gz LXCYYMSVIOBWEQ-LBPRGKRZSA-N 1 2 270.373 0.398 20 30 CCEDLO CN1CC[N@H+](C)C[C@H]1c1noc(CSCC#N)n1 ZINC000300064994 327330955 /nfs/dbraw/zinc/33/09/55/327330955.db2.gz ZSLIBAHXOUODHU-VIFPVBQESA-N 1 2 267.358 0.745 20 30 CCEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CSCC#N)n1 ZINC000300064994 327330956 /nfs/dbraw/zinc/33/09/56/327330956.db2.gz ZSLIBAHXOUODHU-VIFPVBQESA-N 1 2 267.358 0.745 20 30 CCEDLO C[C@H](Oc1cccnc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000562323192 327470354 /nfs/dbraw/zinc/47/03/54/327470354.db2.gz UXSQRIWYVXJEJT-FZMZJTMJSA-N 1 2 276.340 0.809 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnnc1 ZINC000151372322 327549260 /nfs/dbraw/zinc/54/92/60/327549260.db2.gz GBBIFEWNOWKUHV-UHFFFAOYSA-N 1 2 289.339 0.165 20 30 CCEDLO C=CCCn1cc(C(=O)N2CCn3c[nH+]cc3C2)nn1 ZINC000582416070 328984331 /nfs/dbraw/zinc/98/43/31/328984331.db2.gz UWNILJFGHZRLOL-UHFFFAOYSA-N 1 2 272.312 0.707 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000378574445 329055229 /nfs/dbraw/zinc/05/52/29/329055229.db2.gz WICSODAEHGNAGX-NSHDSACASA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000378574445 329055231 /nfs/dbraw/zinc/05/52/31/329055231.db2.gz WICSODAEHGNAGX-NSHDSACASA-N 1 2 254.330 0.706 20 30 CCEDLO CCc1nc(CN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000176264886 329175985 /nfs/dbraw/zinc/17/59/85/329175985.db2.gz AOGHJAYPQLVLAB-UHFFFAOYSA-N 1 2 293.371 0.680 20 30 CCEDLO C=CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000582878628 329284361 /nfs/dbraw/zinc/28/43/61/329284361.db2.gz SBZCMALVLLQRMI-LLVKDONJSA-N 1 2 283.353 0.085 20 30 CCEDLO C=CCC1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCC1 ZINC000189068694 329375607 /nfs/dbraw/zinc/37/56/07/329375607.db2.gz QBUTWNSPVBCUBA-CQSZACIVSA-N 1 2 296.411 0.884 20 30 CCEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000190163065 329392391 /nfs/dbraw/zinc/39/23/91/329392391.db2.gz ZIVVDFNMXBYBOM-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000190163065 329392392 /nfs/dbraw/zinc/39/23/92/329392392.db2.gz ZIVVDFNMXBYBOM-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO Cc1nnsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583325150 329452191 /nfs/dbraw/zinc/45/21/91/329452191.db2.gz CFTSNCBQNYRRMP-JTQLQIEISA-N 1 2 253.331 0.420 20 30 CCEDLO CC(C)(C)OC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686793 329968651 /nfs/dbraw/zinc/96/86/51/329968651.db2.gz CGDTVIRODWSPGU-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OC)n(C)c2)nn1 ZINC000424177249 330317575 /nfs/dbraw/zinc/31/75/75/330317575.db2.gz ZKQNUPUHTSIXHQ-UHFFFAOYSA-N 1 2 289.339 0.879 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424507375 330361467 /nfs/dbraw/zinc/36/14/67/330361467.db2.gz NDAWRBHALNZDPJ-SNVBAGLBSA-N 1 2 289.326 0.430 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451120137 331016324 /nfs/dbraw/zinc/01/63/24/331016324.db2.gz JQMGYRAFVLQVTL-UHFFFAOYSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451120137 331016325 /nfs/dbraw/zinc/01/63/25/331016325.db2.gz JQMGYRAFVLQVTL-UHFFFAOYSA-N 1 2 253.346 0.858 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000451747004 331041036 /nfs/dbraw/zinc/04/10/36/331041036.db2.gz DLITVXKDWKVRGU-JHJVBQTASA-N 1 2 295.383 0.409 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000451747004 331041037 /nfs/dbraw/zinc/04/10/37/331041037.db2.gz DLITVXKDWKVRGU-JHJVBQTASA-N 1 2 295.383 0.409 20 30 CCEDLO C=CC(C)(C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000452775103 331076316 /nfs/dbraw/zinc/07/63/16/331076316.db2.gz GYGSSGGDGLKXCX-UHFFFAOYSA-N 1 2 269.389 0.771 20 30 CCEDLO C=CC(C)(C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000452775103 331076317 /nfs/dbraw/zinc/07/63/17/331076317.db2.gz GYGSSGGDGLKXCX-UHFFFAOYSA-N 1 2 269.389 0.771 20 30 CCEDLO C=C(C)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000454275374 331143424 /nfs/dbraw/zinc/14/34/24/331143424.db2.gz WSENFHBWBXVAMU-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000456267693 331188141 /nfs/dbraw/zinc/18/81/41/331188141.db2.gz RSMLWDCHLKKXIV-OLZOCXBDSA-N 1 2 297.399 0.293 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000456267693 331188142 /nfs/dbraw/zinc/18/81/42/331188142.db2.gz RSMLWDCHLKKXIV-OLZOCXBDSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000489037868 332038684 /nfs/dbraw/zinc/03/86/84/332038684.db2.gz HCRXVYVQBIHHEM-ZDUSSCGKSA-N 1 2 274.368 0.404 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000490715549 332107923 /nfs/dbraw/zinc/10/79/23/332107923.db2.gz XFGKFCCZONCQQL-CABCVRRESA-N 1 2 291.395 0.764 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000491285620 332180679 /nfs/dbraw/zinc/18/06/79/332180679.db2.gz DKYXJUVVFGOMBB-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000491285620 332180680 /nfs/dbraw/zinc/18/06/80/332180680.db2.gz DKYXJUVVFGOMBB-OLZOCXBDSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000491352070 332195691 /nfs/dbraw/zinc/19/56/91/332195691.db2.gz XMVFAVHTVUMZPZ-AWEZNQCLSA-N 1 2 286.379 0.510 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491624844 332248903 /nfs/dbraw/zinc/24/89/03/332248903.db2.gz KYGPFPPOPQXTEN-RYUDHWBXSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000491662050 332271496 /nfs/dbraw/zinc/27/14/96/332271496.db2.gz BMGCSZVCHSZBCI-UHFFFAOYSA-N 1 2 289.335 0.129 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000491662050 332271498 /nfs/dbraw/zinc/27/14/98/332271498.db2.gz BMGCSZVCHSZBCI-UHFFFAOYSA-N 1 2 289.335 0.129 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCNC(=O)C(F)(F)F ZINC000491663077 332272429 /nfs/dbraw/zinc/27/24/29/332272429.db2.gz GRWVMGMOFDAHHX-SECBINFHSA-N 1 2 264.247 0.389 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000491663077 332272430 /nfs/dbraw/zinc/27/24/30/332272430.db2.gz GRWVMGMOFDAHHX-SECBINFHSA-N 1 2 264.247 0.389 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cc(OC)ccc3C2)C1=O ZINC000491664836 332273252 /nfs/dbraw/zinc/27/32/52/332273252.db2.gz OOBLIQXSEIOBIE-OAHLLOKOSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cc(OC)ccc3C2)C1=O ZINC000491664836 332273254 /nfs/dbraw/zinc/27/32/54/332273254.db2.gz OOBLIQXSEIOBIE-OAHLLOKOSA-N 1 2 298.342 0.814 20 30 CCEDLO C#C[C@H](CC)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000491699891 332294544 /nfs/dbraw/zinc/29/45/44/332294544.db2.gz VBZDDSNAYSNLSW-SNVBAGLBSA-N 1 2 270.358 0.039 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000491714417 332305097 /nfs/dbraw/zinc/30/50/97/332305097.db2.gz GPDBKVZHHXXFIH-AWEZNQCLSA-N 1 2 286.379 0.510 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491786941 332349587 /nfs/dbraw/zinc/34/95/87/332349587.db2.gz XAHUCUGGEZWVPE-UWVGGRQHSA-N 1 2 279.340 0.458 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000491786941 332349589 /nfs/dbraw/zinc/34/95/89/332349589.db2.gz XAHUCUGGEZWVPE-UWVGGRQHSA-N 1 2 279.340 0.458 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491811105 332363601 /nfs/dbraw/zinc/36/36/01/332363601.db2.gz BISDLMNIWRNMNO-VIFPVBQESA-N 1 2 273.296 0.989 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491811105 332363603 /nfs/dbraw/zinc/36/36/03/332363603.db2.gz BISDLMNIWRNMNO-VIFPVBQESA-N 1 2 273.296 0.989 20 30 CCEDLO C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000516699373 333080936 /nfs/dbraw/zinc/08/09/36/333080936.db2.gz LNOZYOZFBRDZIC-GZBFAFLISA-N 1 2 297.399 0.921 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000517216851 333094975 /nfs/dbraw/zinc/09/49/75/333094975.db2.gz BTJJKADLHFCXBM-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000517216851 333094976 /nfs/dbraw/zinc/09/49/76/333094976.db2.gz BTJJKADLHFCXBM-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1cn(-c2ccccc2)nn1 ZINC000185464485 333141312 /nfs/dbraw/zinc/14/13/12/333141312.db2.gz AHMNGGCFERQMHH-LLVKDONJSA-N 1 2 284.323 0.558 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000192551520 333236347 /nfs/dbraw/zinc/23/63/47/333236347.db2.gz MCLHKBDOVRWNLR-SNVBAGLBSA-N 1 2 292.335 0.944 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000192551520 333236348 /nfs/dbraw/zinc/23/63/48/333236348.db2.gz MCLHKBDOVRWNLR-SNVBAGLBSA-N 1 2 292.335 0.944 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000576013953 335141622 /nfs/dbraw/zinc/14/16/22/335141622.db2.gz KILYQJORTMUVEK-WFASDCNBSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000576013953 335141624 /nfs/dbraw/zinc/14/16/24/335141624.db2.gz KILYQJORTMUVEK-WFASDCNBSA-N 1 2 293.367 0.429 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133899726 334069437 /nfs/dbraw/zinc/06/94/37/334069437.db2.gz SYLNAJXWNGBCHF-CQSZACIVSA-N 1 2 282.388 0.627 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133899726 334069439 /nfs/dbraw/zinc/06/94/39/334069439.db2.gz SYLNAJXWNGBCHF-CQSZACIVSA-N 1 2 282.388 0.627 20 30 CCEDLO CCOC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681254 334139018 /nfs/dbraw/zinc/13/90/18/334139018.db2.gz PMDYCURQNPVQGO-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO Cc1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000566859455 334667368 /nfs/dbraw/zinc/66/73/68/334667368.db2.gz UIYJWELBBLKFJA-CYBMUJFWSA-N 1 2 263.345 0.231 20 30 CCEDLO Cc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)o1 ZINC000567171185 334686913 /nfs/dbraw/zinc/68/69/13/334686913.db2.gz YTKYCGPVTJLTDW-GFCCVEGCSA-N 1 2 250.302 0.865 20 30 CCEDLO C[C@H](OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1nccn1C ZINC000568518375 334828422 /nfs/dbraw/zinc/82/84/22/334828422.db2.gz BJBWPVSQAYHPGW-SMDDNHRTSA-N 1 2 293.371 0.458 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3ncncc3C#N)CC2)on1 ZINC000573165708 334914063 /nfs/dbraw/zinc/91/40/63/334914063.db2.gz NVCPVXMXSHWYEE-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000577078237 335296488 /nfs/dbraw/zinc/29/64/88/335296488.db2.gz VPSBNRGFLFOWRL-SNVBAGLBSA-N 1 2 266.345 0.965 20 30 CCEDLO CCn1nccc1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000581319010 336048263 /nfs/dbraw/zinc/04/82/63/336048263.db2.gz OBPGDXZKRUJORJ-UHFFFAOYSA-N 1 2 275.356 0.503 20 30 CCEDLO CC1(C#N)CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000581523663 336094582 /nfs/dbraw/zinc/09/45/82/336094582.db2.gz POOYXOOEGQMNBM-UHFFFAOYSA-N 1 2 268.280 0.648 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000581664875 336120410 /nfs/dbraw/zinc/12/04/10/336120410.db2.gz ICPIVKSQLHZEIV-AWEZNQCLSA-N 1 2 295.408 0.757 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000581664875 336120411 /nfs/dbraw/zinc/12/04/11/336120411.db2.gz ICPIVKSQLHZEIV-AWEZNQCLSA-N 1 2 295.408 0.757 20 30 CCEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)N1CCCC1 ZINC000052441239 518769672 /nfs/dbraw/zinc/76/96/72/518769672.db2.gz PFMLUDBDURWFDU-UHFFFAOYSA-N 1 2 265.357 0.399 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000665824528 545108151 /nfs/dbraw/zinc/10/81/51/545108151.db2.gz FMBBKUFCKVKKGL-CQSZACIVSA-N 1 2 259.309 0.930 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000666512510 545124664 /nfs/dbraw/zinc/12/46/64/545124664.db2.gz DQFLRDAVDQMGFY-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000666512510 545124665 /nfs/dbraw/zinc/12/46/65/545124665.db2.gz DQFLRDAVDQMGFY-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355084751 527395704 /nfs/dbraw/zinc/39/57/04/527395704.db2.gz XAZNHLPRKYZRFZ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355084751 527395710 /nfs/dbraw/zinc/39/57/10/527395710.db2.gz XAZNHLPRKYZRFZ-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367013132 527410148 /nfs/dbraw/zinc/41/01/48/527410148.db2.gz JJOWCVQLRWMFDB-LBPRGKRZSA-N 1 2 274.386 0.299 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000356053586 527543925 /nfs/dbraw/zinc/54/39/25/527543925.db2.gz KVYDCZBKOIXEGQ-TZMCWYRMSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000356053586 527543928 /nfs/dbraw/zinc/54/39/28/527543928.db2.gz KVYDCZBKOIXEGQ-TZMCWYRMSA-N 1 2 270.373 0.541 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000347716478 527722087 /nfs/dbraw/zinc/72/20/87/527722087.db2.gz KHZNWZQSACFPQT-HNNXBMFYSA-N 1 2 272.348 0.875 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000347716478 527722090 /nfs/dbraw/zinc/72/20/90/527722090.db2.gz KHZNWZQSACFPQT-HNNXBMFYSA-N 1 2 272.348 0.875 20 30 CCEDLO CCN1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1=O ZINC000330053659 527904261 /nfs/dbraw/zinc/90/42/61/527904261.db2.gz QTHROLWKYOHFGG-UHFFFAOYSA-N 1 2 291.355 0.683 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000358478218 529119417 /nfs/dbraw/zinc/11/94/17/529119417.db2.gz AVTWEBAMVSQIOC-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2cnccc2C#N)CCO1 ZINC000358478218 529119418 /nfs/dbraw/zinc/11/94/18/529119418.db2.gz AVTWEBAMVSQIOC-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H](NC(=O)CN1CCOCC1=O)c1[nH]cc[nH+]1 ZINC000329868274 529265714 /nfs/dbraw/zinc/26/57/14/529265714.db2.gz XFVTWBSQWPSLMK-SECBINFHSA-N 1 2 266.301 0.676 20 30 CCEDLO C=CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000674264204 545302079 /nfs/dbraw/zinc/30/20/79/545302079.db2.gz SGCUTAODLXUONT-WDEREUQCSA-N 1 2 274.386 0.138 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676649016 545348079 /nfs/dbraw/zinc/34/80/79/545348079.db2.gz FDLWODQGSHQBLT-JTQLQIEISA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000684763665 545736277 /nfs/dbraw/zinc/73/62/77/545736277.db2.gz AKAFTQQAENPTHW-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000684763665 545736280 /nfs/dbraw/zinc/73/62/80/545736280.db2.gz AKAFTQQAENPTHW-UHFFFAOYSA-N 1 2 276.402 0.281 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000778236533 581146620 /nfs/dbraw/zinc/14/66/20/581146620.db2.gz MMYXQVCSULTXEN-ZIAGYGMSSA-N 1 2 281.375 0.444 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000778236533 581146623 /nfs/dbraw/zinc/14/66/23/581146623.db2.gz MMYXQVCSULTXEN-ZIAGYGMSSA-N 1 2 281.375 0.444 20 30 CCEDLO Cc1ncc(CO)c(C=NNc2[nH+]ccn2C)c1O ZINC000790300683 581183051 /nfs/dbraw/zinc/18/30/51/581183051.db2.gz YDGVBXIQFLHZKR-UHFFFAOYSA-N 1 2 261.285 0.767 20 30 CCEDLO C#CCNC(=S)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788335102 581107281 /nfs/dbraw/zinc/10/72/81/581107281.db2.gz YAUXNZGXKGKRJA-LLVKDONJSA-N 1 2 255.387 0.147 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(O)CCSC1 ZINC000328973976 581112922 /nfs/dbraw/zinc/11/29/22/581112922.db2.gz PNFPUVOXGZMVGE-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000725806325 581136739 /nfs/dbraw/zinc/13/67/39/581136739.db2.gz RBJHSEVRBLJACJ-HNNXBMFYSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000725806325 581136741 /nfs/dbraw/zinc/13/67/41/581136741.db2.gz RBJHSEVRBLJACJ-HNNXBMFYSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC000789949795 581165671 /nfs/dbraw/zinc/16/56/71/581165671.db2.gz KZOOWVGRDOKDBQ-UHFFFAOYSA-N 1 2 273.336 0.410 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790363072 581185195 /nfs/dbraw/zinc/18/51/95/581185195.db2.gz QWUUVPAWBURVPI-SCRDCRAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790363072 581185197 /nfs/dbraw/zinc/18/51/97/581185197.db2.gz QWUUVPAWBURVPI-SCRDCRAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780087605 581219118 /nfs/dbraw/zinc/21/91/18/581219118.db2.gz CWTQLHSYRPXCQT-AWEZNQCLSA-N 1 2 274.320 0.582 20 30 CCEDLO C[NH+](C)[C@H](C(=O)OCC(=O)NCC#N)c1ccccc1 ZINC000780089982 581219881 /nfs/dbraw/zinc/21/98/81/581219881.db2.gz QQOFKDCXRWUGHW-ZDUSSCGKSA-N 1 2 275.308 0.472 20 30 CCEDLO C=CC1CC[NH+](Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000738046897 581246893 /nfs/dbraw/zinc/24/68/93/581246893.db2.gz YIDSTTKYOKSKNQ-UHFFFAOYSA-N 1 2 298.412 0.989 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000726882213 581257763 /nfs/dbraw/zinc/25/77/63/581257763.db2.gz JBHGUTLGENWCGE-LLVKDONJSA-N 1 2 267.329 0.244 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000726882213 581257764 /nfs/dbraw/zinc/25/77/64/581257764.db2.gz JBHGUTLGENWCGE-LLVKDONJSA-N 1 2 267.329 0.244 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000781589096 581272390 /nfs/dbraw/zinc/27/23/90/581272390.db2.gz BTZZOQUWCZNKBH-UHFFFAOYSA-N 1 2 259.229 0.808 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2cc[nH+]c(N(C)C)c2)c1=O ZINC000782110893 581287955 /nfs/dbraw/zinc/28/79/55/581287955.db2.gz AQVASKHLBDRNOI-UHFFFAOYSA-N 1 2 299.334 0.411 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782618381 581314669 /nfs/dbraw/zinc/31/46/69/581314669.db2.gz BDKZCVBNNYLPNH-NFAWXSAZSA-N 1 2 271.320 0.399 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782618381 581314670 /nfs/dbraw/zinc/31/46/70/581314670.db2.gz BDKZCVBNNYLPNH-NFAWXSAZSA-N 1 2 271.320 0.399 20 30 CCEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000793857945 581316394 /nfs/dbraw/zinc/31/63/94/581316394.db2.gz XDZNYFPBHXRGOW-QWHCGFSZSA-N 1 2 261.325 0.650 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC(N)=O ZINC000796604104 581359186 /nfs/dbraw/zinc/35/91/86/581359186.db2.gz VNHIIIYAPKJFJL-ZDUSSCGKSA-N 1 2 275.308 0.580 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(N)=O ZINC000796604104 581359188 /nfs/dbraw/zinc/35/91/88/581359188.db2.gz VNHIIIYAPKJFJL-ZDUSSCGKSA-N 1 2 275.308 0.580 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784229355 581376593 /nfs/dbraw/zinc/37/65/93/581376593.db2.gz UHSHOPBQCMPMAZ-LLVKDONJSA-N 1 2 279.340 0.576 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784229355 581376595 /nfs/dbraw/zinc/37/65/95/581376595.db2.gz UHSHOPBQCMPMAZ-LLVKDONJSA-N 1 2 279.340 0.576 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000784395027 581383209 /nfs/dbraw/zinc/38/32/09/581383209.db2.gz RQMDIDVLNSZJLO-AWEZNQCLSA-N 1 2 297.374 0.264 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000784395027 581383210 /nfs/dbraw/zinc/38/32/10/581383210.db2.gz RQMDIDVLNSZJLO-AWEZNQCLSA-N 1 2 297.374 0.264 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794711779 581384950 /nfs/dbraw/zinc/38/49/50/581384950.db2.gz UIIZIJDHYUWTGN-LLVKDONJSA-N 1 2 282.373 0.150 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794711779 581384952 /nfs/dbraw/zinc/38/49/52/581384952.db2.gz UIIZIJDHYUWTGN-LLVKDONJSA-N 1 2 282.373 0.150 20 30 CCEDLO CC#CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000784902088 581397664 /nfs/dbraw/zinc/39/76/64/581397664.db2.gz JZZWLXCUFJWYLQ-UHFFFAOYSA-N 1 2 297.318 0.735 20 30 CCEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000785617609 581413455 /nfs/dbraw/zinc/41/34/55/581413455.db2.gz PPDNRTCXENOGKM-JTQLQIEISA-N 1 2 272.312 0.791 20 30 CCEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCC(=O)NC1=O ZINC000796383796 581439247 /nfs/dbraw/zinc/43/92/47/581439247.db2.gz IPWRAJSPRADMNN-CYBMUJFWSA-N 1 2 292.335 0.955 20 30 CCEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCC(=O)NC1=O ZINC000796383796 581439248 /nfs/dbraw/zinc/43/92/48/581439248.db2.gz IPWRAJSPRADMNN-CYBMUJFWSA-N 1 2 292.335 0.955 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nonc2C)CC1 ZINC000734148262 581545011 /nfs/dbraw/zinc/54/50/11/581545011.db2.gz WTKQXQGKJHQEKY-UHFFFAOYSA-N 1 2 262.313 0.339 20 30 CCEDLO C[N@H+](CCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753912671 581564760 /nfs/dbraw/zinc/56/47/60/581564760.db2.gz XCRUSNPHPFUBKO-UHFFFAOYSA-N 1 2 272.308 0.344 20 30 CCEDLO C[N@@H+](CCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753912671 581564762 /nfs/dbraw/zinc/56/47/62/581564762.db2.gz XCRUSNPHPFUBKO-UHFFFAOYSA-N 1 2 272.308 0.344 20 30 CCEDLO C#CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000753938399 581565786 /nfs/dbraw/zinc/56/57/86/581565786.db2.gz BREVVRBKHOWDSR-RYUDHWBXSA-N 1 2 273.336 0.945 20 30 CCEDLO C#CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000753943577 581566172 /nfs/dbraw/zinc/56/61/72/581566172.db2.gz MINZKXSPAYQWGD-NSHDSACASA-N 1 2 259.309 0.556 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)nc1 ZINC000729386407 581578874 /nfs/dbraw/zinc/57/88/74/581578874.db2.gz SRRLGTKERMKJRL-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nc1 ZINC000729386407 581578875 /nfs/dbraw/zinc/57/88/75/581578875.db2.gz SRRLGTKERMKJRL-GFCCVEGCSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCNC2=O)c1 ZINC000766856327 581583364 /nfs/dbraw/zinc/58/33/64/581583364.db2.gz USLMAROXMROXRF-AWEZNQCLSA-N 1 2 285.347 0.817 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCNC2=O)c1 ZINC000766856327 581583365 /nfs/dbraw/zinc/58/33/65/581583365.db2.gz USLMAROXMROXRF-AWEZNQCLSA-N 1 2 285.347 0.817 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000754511134 581594532 /nfs/dbraw/zinc/59/45/32/581594532.db2.gz RVCNDCPXFLIPLP-CQSZACIVSA-N 1 2 296.367 0.072 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000767077044 581595443 /nfs/dbraw/zinc/59/54/43/581595443.db2.gz BJASBTSQQXXWQT-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000767077044 581595445 /nfs/dbraw/zinc/59/54/45/581595445.db2.gz BJASBTSQQXXWQT-LBPRGKRZSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC000767375445 581609265 /nfs/dbraw/zinc/60/92/65/581609265.db2.gz CTSNPEFVIVISDI-UHFFFAOYSA-N 1 2 272.352 0.875 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000739913360 581634609 /nfs/dbraw/zinc/63/46/09/581634609.db2.gz AQEPQDYUVMXBDZ-STQMWFEESA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](O)C1 ZINC000739913360 581634613 /nfs/dbraw/zinc/63/46/13/581634613.db2.gz AQEPQDYUVMXBDZ-STQMWFEESA-N 1 2 260.293 0.839 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2NC(C)=O)CC1 ZINC000767923143 581636957 /nfs/dbraw/zinc/63/69/57/581636957.db2.gz WSGLVQMBPACVBK-UHFFFAOYSA-N 1 2 299.374 0.965 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](CO)SC ZINC000769338462 581684736 /nfs/dbraw/zinc/68/47/36/581684736.db2.gz AYLWQGAZEZRENR-SRVKXCTJSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](CO)SC ZINC000769338462 581684738 /nfs/dbraw/zinc/68/47/38/581684738.db2.gz AYLWQGAZEZRENR-SRVKXCTJSA-N 1 2 270.398 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C)no1 ZINC000730281316 581690929 /nfs/dbraw/zinc/69/09/29/581690929.db2.gz ILGUTMOEDGFAHC-KOLCDFICSA-N 1 2 262.313 0.653 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C)no1 ZINC000730281316 581690930 /nfs/dbraw/zinc/69/09/30/581690930.db2.gz ILGUTMOEDGFAHC-KOLCDFICSA-N 1 2 262.313 0.653 20 30 CCEDLO COCC[NH+](CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000758186809 581725150 /nfs/dbraw/zinc/72/51/50/581725150.db2.gz OWSCNEDHQJNMNH-UHFFFAOYSA-N 1 2 279.340 0.581 20 30 CCEDLO CC(=[NH+]Nc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(N)cc1 ZINC000731158107 581755516 /nfs/dbraw/zinc/75/55/16/581755516.db2.gz ZOUOGPBVJCHZKI-UHFFFAOYSA-N 1 2 283.295 0.850 20 30 CCEDLO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)NCC#N ZINC000731241836 581759428 /nfs/dbraw/zinc/75/94/28/581759428.db2.gz HZXYBCFBTWVRQO-UHFFFAOYSA-N 1 2 286.291 0.528 20 30 CCEDLO C#CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000758627101 581759978 /nfs/dbraw/zinc/75/99/78/581759978.db2.gz PZAIXOFCWNHIQU-CYBMUJFWSA-N 1 2 251.374 0.542 20 30 CCEDLO COCC[N@H+](CC(=O)NCCC#N)Cc1cccnc1 ZINC000759456156 581799441 /nfs/dbraw/zinc/79/94/41/581799441.db2.gz NQJUMYVJZIKYTE-UHFFFAOYSA-N 1 2 276.340 0.560 20 30 CCEDLO COCC[N@@H+](CC(=O)NCCC#N)Cc1cccnc1 ZINC000759456156 581799444 /nfs/dbraw/zinc/79/94/44/581799444.db2.gz NQJUMYVJZIKYTE-UHFFFAOYSA-N 1 2 276.340 0.560 20 30 CCEDLO C#CCNC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000732351427 581820497 /nfs/dbraw/zinc/82/04/97/581820497.db2.gz VTCNHUYFTYVYFZ-UHFFFAOYSA-N 1 2 257.249 0.241 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000732678445 581840536 /nfs/dbraw/zinc/84/05/36/581840536.db2.gz DBTFHOAMXKNPDD-UHFFFAOYSA-N 1 2 270.336 0.745 20 30 CCEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)CCC#N ZINC000745078246 581863910 /nfs/dbraw/zinc/86/39/10/581863910.db2.gz CADVKRAOKUUXEP-NWDGAFQWSA-N 1 2 281.356 0.774 20 30 CCEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)CCC#N ZINC000745078246 581863914 /nfs/dbraw/zinc/86/39/14/581863914.db2.gz CADVKRAOKUUXEP-NWDGAFQWSA-N 1 2 281.356 0.774 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nncn1C ZINC000733132347 581867126 /nfs/dbraw/zinc/86/71/26/581867126.db2.gz UNRQWAICAYIPSJ-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nncn1C ZINC000733132347 581867128 /nfs/dbraw/zinc/86/71/28/581867128.db2.gz UNRQWAICAYIPSJ-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)C(=O)OC ZINC000760967221 581881734 /nfs/dbraw/zinc/88/17/34/581881734.db2.gz XIPCQNDWNAYUCI-OLZOCXBDSA-N 1 2 280.368 0.932 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)C(=O)OC ZINC000760967221 581881736 /nfs/dbraw/zinc/88/17/36/581881736.db2.gz XIPCQNDWNAYUCI-OLZOCXBDSA-N 1 2 280.368 0.932 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000761109130 581889146 /nfs/dbraw/zinc/88/91/46/581889146.db2.gz NLKJVZKHWVHOSS-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000761109130 581889147 /nfs/dbraw/zinc/88/91/47/581889147.db2.gz NLKJVZKHWVHOSS-UHFFFAOYSA-N 1 2 251.286 0.503 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000746303766 581909148 /nfs/dbraw/zinc/90/91/48/581909148.db2.gz VJYJKPJNJCPDLF-NXEZZACHSA-N 1 2 266.370 0.782 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000773402519 581926789 /nfs/dbraw/zinc/92/67/89/581926789.db2.gz ZRDMHJXCCMYAAZ-UHFFFAOYSA-N 1 2 289.383 0.616 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000747223079 581935596 /nfs/dbraw/zinc/93/55/96/581935596.db2.gz KTCYMSFCYXLKAH-AWEZNQCLSA-N 1 2 296.374 0.818 20 30 CCEDLO N#Cc1cnn(C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1N ZINC000763993182 582024714 /nfs/dbraw/zinc/02/47/14/582024714.db2.gz RVHYLEVPBSGIMV-MRVPVSSYSA-N 1 2 256.269 0.436 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000775720647 582034927 /nfs/dbraw/zinc/03/49/27/582034927.db2.gz ALAMBSWLHKRPOI-GFCCVEGCSA-N 1 2 294.399 0.250 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000764201370 582036306 /nfs/dbraw/zinc/03/63/06/582036306.db2.gz KCPAVMNISSSUGN-FZMZJTMJSA-N 1 2 282.388 0.497 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000764201370 582036309 /nfs/dbraw/zinc/03/63/09/582036309.db2.gz KCPAVMNISSSUGN-FZMZJTMJSA-N 1 2 282.388 0.497 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCn2cc(C)[nH+]c2C1)[C@H]1CCCO1 ZINC000776231807 582063066 /nfs/dbraw/zinc/06/30/66/582063066.db2.gz QTHYCHCLBXYQSZ-CHWSQXEVSA-N 1 2 288.351 0.898 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764805098 582069624 /nfs/dbraw/zinc/06/96/24/582069624.db2.gz MKBDGVDHHNSOBT-NSHDSACASA-N 1 2 251.330 0.172 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cn1cnnc1 ZINC000776763045 582089242 /nfs/dbraw/zinc/08/92/42/582089242.db2.gz FHGFZPWTKSTXRU-NSHDSACASA-N 1 2 284.327 0.108 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cn1cnnc1 ZINC000776763045 582089245 /nfs/dbraw/zinc/08/92/45/582089245.db2.gz FHGFZPWTKSTXRU-NSHDSACASA-N 1 2 284.327 0.108 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752093865 582101177 /nfs/dbraw/zinc/10/11/77/582101177.db2.gz PXILMRASMKLQHJ-BETUJISGSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752093865 582101179 /nfs/dbraw/zinc/10/11/79/582101179.db2.gz PXILMRASMKLQHJ-BETUJISGSA-N 1 2 250.273 0.625 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000752457311 582104729 /nfs/dbraw/zinc/10/47/29/582104729.db2.gz OEJGZLDAXAFYQL-NSHDSACASA-N 1 2 275.308 0.092 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000752457311 582104730 /nfs/dbraw/zinc/10/47/30/582104730.db2.gz OEJGZLDAXAFYQL-NSHDSACASA-N 1 2 275.308 0.092 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932964298 613235323 /nfs/dbraw/zinc/23/53/23/613235323.db2.gz YJWCRTMIMOTLSX-QMMMGPOBSA-N 1 2 283.191 0.505 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932964298 613235321 /nfs/dbraw/zinc/23/53/21/613235321.db2.gz YJWCRTMIMOTLSX-QMMMGPOBSA-N 1 2 283.191 0.505 20 30 CCEDLO C#CCOCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972681 612981621 /nfs/dbraw/zinc/98/16/21/612981621.db2.gz GBHBFQFTBARYQB-UONOGXRCSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCOCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972681 612981622 /nfs/dbraw/zinc/98/16/22/612981622.db2.gz GBHBFQFTBARYQB-UONOGXRCSA-N 1 2 299.367 0.305 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nncs1 ZINC000852751198 612989055 /nfs/dbraw/zinc/98/90/55/612989055.db2.gz SIZFWYDZXOPEOP-UHFFFAOYSA-N 1 2 268.342 0.448 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nncs1 ZINC000852751198 612989057 /nfs/dbraw/zinc/98/90/57/612989057.db2.gz SIZFWYDZXOPEOP-UHFFFAOYSA-N 1 2 268.342 0.448 20 30 CCEDLO C#CCSCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913439707 613010232 /nfs/dbraw/zinc/01/02/32/613010232.db2.gz ITFJLKVFQCGYFE-NSHDSACASA-N 1 2 264.354 0.249 20 30 CCEDLO C#CCSCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928635349 613013712 /nfs/dbraw/zinc/01/37/12/613013712.db2.gz KNSRUOSTEJTPHC-GFCCVEGCSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852136613 613016205 /nfs/dbraw/zinc/01/62/05/613016205.db2.gz AQPDBLIBGFAAEG-CYBMUJFWSA-N 1 2 297.424 0.469 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859031189 613033036 /nfs/dbraw/zinc/03/30/36/613033036.db2.gz FKMIXGGUGIOLQI-ZDUSSCGKSA-N 1 2 278.356 0.953 20 30 CCEDLO C#CCNC(=S)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905656684 612953756 /nfs/dbraw/zinc/95/37/56/612953756.db2.gz OMAQARMYLYDDSY-NSHDSACASA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000859210235 613049112 /nfs/dbraw/zinc/04/91/12/613049112.db2.gz SACVYYPGOZOYKM-UHFFFAOYSA-N 1 2 284.356 0.427 20 30 CCEDLO C#CCCOC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000918283029 613050059 /nfs/dbraw/zinc/05/00/59/613050059.db2.gz CPYOFPLIAQKNBA-UHFFFAOYSA-N 1 2 252.314 0.599 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875195014 613050689 /nfs/dbraw/zinc/05/06/89/613050689.db2.gz ODYNPUMJODDMGL-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875195014 613050691 /nfs/dbraw/zinc/05/06/91/613050691.db2.gz ODYNPUMJODDMGL-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000858282740 613063162 /nfs/dbraw/zinc/06/31/62/613063162.db2.gz QBWYDGIARIWCMS-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000858282740 613063163 /nfs/dbraw/zinc/06/31/63/613063163.db2.gz QBWYDGIARIWCMS-CYBMUJFWSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)OC ZINC000837949086 613069203 /nfs/dbraw/zinc/06/92/03/613069203.db2.gz AMEJBFBSMGNQIE-QWRGUYRKSA-N 1 2 284.381 0.105 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000820401086 613080551 /nfs/dbraw/zinc/08/05/51/613080551.db2.gz VXOAAFJCRYINDV-OLZOCXBDSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CC[NH+](CC#C)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000851794577 613099116 /nfs/dbraw/zinc/09/91/16/613099116.db2.gz UEOJMZOQVOUKIE-UHFFFAOYSA-N 1 2 276.361 0.663 20 30 CCEDLO C#CCN(CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900354167 613105379 /nfs/dbraw/zinc/10/53/79/613105379.db2.gz UXTPAGIHTCIAFO-ACCUITESSA-N 1 2 250.342 0.747 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000881464008 612967129 /nfs/dbraw/zinc/96/71/29/612967129.db2.gz GVMNDYOUSDOIMA-HNNXBMFYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000881464008 612967131 /nfs/dbraw/zinc/96/71/31/612967131.db2.gz GVMNDYOUSDOIMA-HNNXBMFYSA-N 1 2 276.380 0.876 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCCO)cc1OC ZINC000111997757 617237994 /nfs/dbraw/zinc/23/79/94/617237994.db2.gz PPCXJFJDKKHFMY-UHFFFAOYSA-N 1 2 254.286 0.527 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000895255114 612956106 /nfs/dbraw/zinc/95/61/06/612956106.db2.gz LNUUKUCUBIVHFE-UHFFFAOYSA-N 1 2 259.309 0.588 20 30 CCEDLO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968751652 612963293 /nfs/dbraw/zinc/96/32/93/612963293.db2.gz ARXYQNHXBYBZDK-SFYZADRCSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000968751652 612963294 /nfs/dbraw/zinc/96/32/94/612963294.db2.gz ARXYQNHXBYBZDK-SFYZADRCSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896545798 612967769 /nfs/dbraw/zinc/96/77/69/612967769.db2.gz QEPNZHILQVKDNB-UKRRQHHQSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896545798 612967771 /nfs/dbraw/zinc/96/77/71/612967771.db2.gz QEPNZHILQVKDNB-UKRRQHHQSA-N 1 2 275.396 0.400 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC1 ZINC000915830795 612969026 /nfs/dbraw/zinc/96/90/26/612969026.db2.gz WUDORQWITSJODL-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC1 ZINC000915830795 612969027 /nfs/dbraw/zinc/96/90/27/612969027.db2.gz WUDORQWITSJODL-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCC1([NH2+]CC(=O)N=[S@@](C)(=O)N(C)C)CCC1 ZINC000933294393 612970467 /nfs/dbraw/zinc/97/04/67/612970467.db2.gz JEFICQIXWSCWMB-GOSISDBHSA-N 1 2 271.386 0.623 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000806916126 612979272 /nfs/dbraw/zinc/97/92/72/612979272.db2.gz SOLQTLHNFYMHSZ-GFCCVEGCSA-N 1 2 288.351 0.645 20 30 CCEDLO C#CCOCC[N@H+]1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933209565 612983931 /nfs/dbraw/zinc/98/39/31/612983931.db2.gz YOESZDUTMXIQFL-KFWWJZLASA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933209565 612983933 /nfs/dbraw/zinc/98/39/33/612983933.db2.gz YOESZDUTMXIQFL-KFWWJZLASA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCCCc1nnc(N(C)CC[NH+]2CCOCC2)n1C ZINC000908532378 612985653 /nfs/dbraw/zinc/98/56/53/612985653.db2.gz UEHVYSNJWIRSPR-UHFFFAOYSA-N 1 2 291.399 0.539 20 30 CCEDLO C#CCOCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000840287773 612990055 /nfs/dbraw/zinc/99/00/55/612990055.db2.gz YVZCJGGBNPUAQY-JTQLQIEISA-N 1 2 250.302 0.331 20 30 CCEDLO C#CCOCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000840287773 612990056 /nfs/dbraw/zinc/99/00/56/612990056.db2.gz YVZCJGGBNPUAQY-JTQLQIEISA-N 1 2 250.302 0.331 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)n(C)n2)C1 ZINC000949740950 612991639 /nfs/dbraw/zinc/99/16/39/612991639.db2.gz RVXVUHAYCXCSTQ-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3cccnn32)C1 ZINC000952422732 612993089 /nfs/dbraw/zinc/99/30/89/612993089.db2.gz KWDDSTZANCWHIX-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000831852552 613000981 /nfs/dbraw/zinc/00/09/81/613000981.db2.gz DBBVIANJQLJKOH-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502125 613003296 /nfs/dbraw/zinc/00/32/96/613003296.db2.gz AXWSOCIWTGXXCY-NEPJUHHUSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502125 613003297 /nfs/dbraw/zinc/00/32/97/613003297.db2.gz AXWSOCIWTGXXCY-NEPJUHHUSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCOc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819472968 613008371 /nfs/dbraw/zinc/00/83/71/613008371.db2.gz DPMFYORPHXZVDY-AWEZNQCLSA-N 1 2 290.363 0.804 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CO)c(C)o2)CC1 ZINC000865084981 613010668 /nfs/dbraw/zinc/01/06/68/613010668.db2.gz JEVAMYRGFBWWTI-UHFFFAOYSA-N 1 2 276.336 0.861 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000807571315 613010988 /nfs/dbraw/zinc/01/09/88/613010988.db2.gz IRAZTMPYIAUABR-UHFFFAOYSA-N 1 2 268.320 0.734 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000133728543 613012036 /nfs/dbraw/zinc/01/20/36/613012036.db2.gz DMFFUMWVHHJGLB-UHFFFAOYSA-N 1 2 288.413 0.384 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000858373352 613021754 /nfs/dbraw/zinc/02/17/54/613021754.db2.gz CQNKESCIKLOPDR-STQMWFEESA-N 1 2 290.367 0.926 20 30 CCEDLO C#CC[C@@H]([NH2+]C1CCC(CNC(C)=O)CC1)C(=O)OC ZINC000877583412 613042617 /nfs/dbraw/zinc/04/26/17/613042617.db2.gz QNRZAHDYFQJVRJ-JXQTWKCFSA-N 1 2 280.368 0.836 20 30 CCEDLO C#CC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927654449 613048737 /nfs/dbraw/zinc/04/87/37/613048737.db2.gz SJJLLRBMOSDWSW-ZJUUUORDSA-N 1 2 258.281 0.142 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000859191282 613048917 /nfs/dbraw/zinc/04/89/17/613048917.db2.gz YNOGEQGZIHEYEH-UHFFFAOYSA-N 1 2 284.356 0.425 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000798460546 613062036 /nfs/dbraw/zinc/06/20/36/613062036.db2.gz HRHLXEMFMCNXFS-NEPJUHHUSA-N 1 2 276.340 0.271 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000799081530 613063259 /nfs/dbraw/zinc/06/32/59/613063259.db2.gz WWDAEKPBKKNNJO-ZDUSSCGKSA-N 1 2 284.319 0.771 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000887709409 613073614 /nfs/dbraw/zinc/07/36/14/613073614.db2.gz HSQLWMLRFAIFRR-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823314719 613088620 /nfs/dbraw/zinc/08/86/20/613088620.db2.gz KPGYLHDFZCLDCL-ZFWWWQNUSA-N 1 2 288.347 0.380 20 30 CCEDLO C#C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823314719 613088621 /nfs/dbraw/zinc/08/86/21/613088621.db2.gz KPGYLHDFZCLDCL-ZFWWWQNUSA-N 1 2 288.347 0.380 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC3(F)F)CC2)C1 ZINC000941452470 613115567 /nfs/dbraw/zinc/11/55/67/613115567.db2.gz XRWRENDSTORJAH-CYBMUJFWSA-N 1 2 297.349 0.493 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)C(C)C)CC2)C1 ZINC000941548521 613115587 /nfs/dbraw/zinc/11/55/87/613115587.db2.gz ZZHYWCYRMYAHPR-OAHLLOKOSA-N 1 2 293.411 0.119 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C(C)(F)F)CC2)C1 ZINC000941571393 613115667 /nfs/dbraw/zinc/11/56/67/613115667.db2.gz VDLDEYPNERVCHO-LBPRGKRZSA-N 1 2 299.365 0.739 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nocc3C)CC2)C1 ZINC000941630200 613116370 /nfs/dbraw/zinc/11/63/70/613116370.db2.gz HMTIRKAQRIVHRD-UHFFFAOYSA-N 1 2 288.351 0.058 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000854078860 613120137 /nfs/dbraw/zinc/12/01/37/613120137.db2.gz RBLRJWQMVXYCJR-CQSZACIVSA-N 1 2 297.399 0.388 20 30 CCEDLO C#C[C@H](CCC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867760363 613122503 /nfs/dbraw/zinc/12/25/03/613122503.db2.gz CFPFMQZOHWKTBF-SCXUMTSISA-N 1 2 250.342 0.793 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC000847027557 613159474 /nfs/dbraw/zinc/15/94/74/613159474.db2.gz UOZGYZDXSCDXTR-JTQLQIEISA-N 1 2 262.313 0.203 20 30 CCEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC000847027557 613159477 /nfs/dbraw/zinc/15/94/77/613159477.db2.gz UOZGYZDXSCDXTR-JTQLQIEISA-N 1 2 262.313 0.203 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000891606292 613165141 /nfs/dbraw/zinc/16/51/41/613165141.db2.gz FDHTUFCGEKNUTB-CYBMUJFWSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000891606292 613165142 /nfs/dbraw/zinc/16/51/42/613165142.db2.gz FDHTUFCGEKNUTB-CYBMUJFWSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000890366558 613170657 /nfs/dbraw/zinc/17/06/57/613170657.db2.gz AZCPJBNZCZSWET-WDEREUQCSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000890366558 613170659 /nfs/dbraw/zinc/17/06/59/613170659.db2.gz AZCPJBNZCZSWET-WDEREUQCSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000923556740 613171970 /nfs/dbraw/zinc/17/19/70/613171970.db2.gz IDBSUNVRIACNSY-CHWSQXEVSA-N 1 2 286.379 0.728 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000923556740 613171971 /nfs/dbraw/zinc/17/19/71/613171971.db2.gz IDBSUNVRIACNSY-CHWSQXEVSA-N 1 2 286.379 0.728 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)nc1 ZINC000811933489 613175021 /nfs/dbraw/zinc/17/50/21/613175021.db2.gz AQZHTKCUGWRNOO-UHFFFAOYSA-N 1 2 252.277 0.915 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(N)cc2)C1 ZINC000885511253 613176170 /nfs/dbraw/zinc/17/61/70/613176170.db2.gz DJCWHSSTJTVWHR-CYBMUJFWSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(N)cc2)C1 ZINC000885511253 613176172 /nfs/dbraw/zinc/17/61/72/613176172.db2.gz DJCWHSSTJTVWHR-CYBMUJFWSA-N 1 2 293.392 0.645 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](CC)C[NH+]2CCOCC2)cn1 ZINC000928639798 613188473 /nfs/dbraw/zinc/18/84/73/613188473.db2.gz LQXPQJNRGZAWFF-OAHLLOKOSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000885513891 613193023 /nfs/dbraw/zinc/19/30/23/613193023.db2.gz JEMHVNXFTFEPDP-AWEZNQCLSA-N 1 2 299.440 0.794 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000885513891 613193024 /nfs/dbraw/zinc/19/30/24/613193024.db2.gz JEMHVNXFTFEPDP-AWEZNQCLSA-N 1 2 299.440 0.794 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(C)no2)C1 ZINC000885511291 613193292 /nfs/dbraw/zinc/19/32/92/613193292.db2.gz FFTMEHFJYHQYSM-LBPRGKRZSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(C)no2)C1 ZINC000885511291 613193295 /nfs/dbraw/zinc/19/32/95/613193295.db2.gz FFTMEHFJYHQYSM-LBPRGKRZSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC)CCSC1 ZINC000928490508 613199094 /nfs/dbraw/zinc/19/90/94/613199094.db2.gz MMGIGNSRCFOYHR-JSGCOSHPSA-N 1 2 282.409 0.722 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC)CCSC1 ZINC000928490508 613199095 /nfs/dbraw/zinc/19/90/95/613199095.db2.gz MMGIGNSRCFOYHR-JSGCOSHPSA-N 1 2 282.409 0.722 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000799036206 613200721 /nfs/dbraw/zinc/20/07/21/613200721.db2.gz BJANFUGFVJFUJO-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000799036206 613200723 /nfs/dbraw/zinc/20/07/23/613200723.db2.gz BJANFUGFVJFUJO-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1csnn1 ZINC000910469772 613200772 /nfs/dbraw/zinc/20/07/72/613200772.db2.gz NYGQCBFFRHGELX-ONGXEEELSA-N 1 2 264.354 0.813 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1csnn1 ZINC000910469772 613200773 /nfs/dbraw/zinc/20/07/73/613200773.db2.gz NYGQCBFFRHGELX-ONGXEEELSA-N 1 2 264.354 0.813 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cnccn1 ZINC000824231868 613202024 /nfs/dbraw/zinc/20/20/24/613202024.db2.gz BLFDEOZIQNESBY-YPMHNXCESA-N 1 2 258.325 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cnccn1 ZINC000824231868 613202026 /nfs/dbraw/zinc/20/20/26/613202026.db2.gz BLFDEOZIQNESBY-YPMHNXCESA-N 1 2 258.325 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccn1 ZINC000908477735 613202282 /nfs/dbraw/zinc/20/22/82/613202282.db2.gz MBESPZUTXUTUEQ-KGLIPLIRSA-N 1 2 273.336 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccn1 ZINC000908477735 613202285 /nfs/dbraw/zinc/20/22/85/613202285.db2.gz MBESPZUTXUTUEQ-KGLIPLIRSA-N 1 2 273.336 0.329 20 30 CCEDLO C#Cc1cnc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000828178851 613210157 /nfs/dbraw/zinc/21/01/57/613210157.db2.gz YMXMGERTCFBDFM-OCCSQVGLSA-N 1 2 272.352 0.757 20 30 CCEDLO C#Cc1cnc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000828178850 613210332 /nfs/dbraw/zinc/21/03/32/613210332.db2.gz YMXMGERTCFBDFM-JSGCOSHPSA-N 1 2 272.352 0.757 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972531540 613212382 /nfs/dbraw/zinc/21/23/82/613212382.db2.gz LIEAPWZRQNLHJF-GOEBONIOSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972531540 613212383 /nfs/dbraw/zinc/21/23/83/613212383.db2.gz LIEAPWZRQNLHJF-GOEBONIOSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972211330 613212574 /nfs/dbraw/zinc/21/25/74/613212574.db2.gz OUYQWAYLRDZQKD-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972211330 613212576 /nfs/dbraw/zinc/21/25/76/613212576.db2.gz OUYQWAYLRDZQKD-OAHLLOKOSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333678 613212855 /nfs/dbraw/zinc/21/28/55/613212855.db2.gz RRTIBCUPMWAWTB-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333678 613212857 /nfs/dbraw/zinc/21/28/57/613212857.db2.gz RRTIBCUPMWAWTB-MRXNPFEDSA-N 1 2 287.363 0.873 20 30 CCEDLO CC(=CC(=O)NC1=NO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000901250415 613235365 /nfs/dbraw/zinc/23/53/65/613235365.db2.gz RHLHGFXEYKFKLI-ZJRUKIMVSA-N 1 2 267.329 0.503 20 30 CCEDLO C=C(Br)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865024028 613236171 /nfs/dbraw/zinc/23/61/71/613236171.db2.gz VZBXPUOBNRCEPJ-IHWYPQMZSA-N 1 2 289.173 0.900 20 30 CCEDLO C/C(=C\C(=O)N1CCO[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000900604107 613251080 /nfs/dbraw/zinc/25/10/80/613251080.db2.gz AKRPDMXFQVLLMZ-YQCJOKCJSA-N 1 2 279.340 0.016 20 30 CCEDLO C/C(=C\C(=O)Nc1cnn(CC#N)c1)C[NH+]1CCOCC1 ZINC000900440406 613260080 /nfs/dbraw/zinc/26/00/80/613260080.db2.gz RUXDWKZEZPVUOQ-XYOKQWHBSA-N 1 2 289.339 0.624 20 30 CCEDLO C#CC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127611 613279839 /nfs/dbraw/zinc/27/98/39/613279839.db2.gz FJXASBHQFZTJHP-UHFFFAOYSA-N 1 2 253.309 0.868 20 30 CCEDLO C#CC[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127611 613279840 /nfs/dbraw/zinc/27/98/40/613279840.db2.gz FJXASBHQFZTJHP-UHFFFAOYSA-N 1 2 253.309 0.868 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(OC)CC1 ZINC000846976526 613293930 /nfs/dbraw/zinc/29/39/30/613293930.db2.gz IVMDMPQGOXYKKA-ZDUSSCGKSA-N 1 2 269.389 0.979 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC000948649536 613320780 /nfs/dbraw/zinc/32/07/80/613320780.db2.gz XGYOPZZNIFUAQU-UHFFFAOYSA-N 1 2 286.339 0.687 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC000949103701 613321882 /nfs/dbraw/zinc/32/18/82/613321882.db2.gz NGNNGLUJCMLOPV-UHFFFAOYSA-N 1 2 290.367 1.000 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000815055439 613325341 /nfs/dbraw/zinc/32/53/41/613325341.db2.gz AHNGKAWTQHNLFO-LBPRGKRZSA-N 1 2 296.367 0.168 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000815055439 613325342 /nfs/dbraw/zinc/32/53/42/613325342.db2.gz AHNGKAWTQHNLFO-LBPRGKRZSA-N 1 2 296.367 0.168 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000815101005 613325741 /nfs/dbraw/zinc/32/57/41/613325741.db2.gz ZMOUOXKGXZIYTD-GFCCVEGCSA-N 1 2 289.383 0.918 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000815101005 613325742 /nfs/dbraw/zinc/32/57/42/613325742.db2.gz ZMOUOXKGXZIYTD-GFCCVEGCSA-N 1 2 289.383 0.918 20 30 CCEDLO C#CCNC(=O)CC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000818979632 613326866 /nfs/dbraw/zinc/32/68/66/613326866.db2.gz SMCBXZUMGIYOPE-UHFFFAOYSA-N 1 2 298.346 0.890 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921480931 613352028 /nfs/dbraw/zinc/35/20/28/613352028.db2.gz WXQYIYNTXKFPDF-AWEZNQCLSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)CONC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000845607242 613352637 /nfs/dbraw/zinc/35/26/37/613352637.db2.gz OMVRTRHYOBTPRP-LBPRGKRZSA-N 1 2 271.361 0.856 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCCc1c[nH+]cn1C ZINC000849964482 613356631 /nfs/dbraw/zinc/35/66/31/613356631.db2.gz MFNSCNUXDMHMRN-CYBMUJFWSA-N 1 2 279.340 0.977 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336655 613357693 /nfs/dbraw/zinc/35/76/93/613357693.db2.gz RDOYJXAJOGANQP-MELADBBJSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000906776805 613363052 /nfs/dbraw/zinc/36/30/52/613363052.db2.gz FGORMNLKYJZAKE-APIJFGDWSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000906776805 613363053 /nfs/dbraw/zinc/36/30/53/613363053.db2.gz FGORMNLKYJZAKE-APIJFGDWSA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660376 613373237 /nfs/dbraw/zinc/37/32/37/613373237.db2.gz UHGOYUJVURLTRN-UHFFFAOYSA-N 1 2 298.778 0.350 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660376 613373238 /nfs/dbraw/zinc/37/32/38/613373238.db2.gz UHGOYUJVURLTRN-UHFFFAOYSA-N 1 2 298.778 0.350 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980963846 613373577 /nfs/dbraw/zinc/37/35/77/613373577.db2.gz FYSFOSNZWKRBOQ-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000980963846 613373578 /nfs/dbraw/zinc/37/35/78/613373578.db2.gz FYSFOSNZWKRBOQ-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981838452 613374034 /nfs/dbraw/zinc/37/40/34/613374034.db2.gz UQDZDSBECOJKRX-UHFFFAOYSA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981838452 613374035 /nfs/dbraw/zinc/37/40/35/613374035.db2.gz UQDZDSBECOJKRX-UHFFFAOYSA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC000968615048 613375828 /nfs/dbraw/zinc/37/58/28/613375828.db2.gz QXLSQZLGWLMICU-ZYHUDNBSSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC000968615048 613375829 /nfs/dbraw/zinc/37/58/29/613375829.db2.gz QXLSQZLGWLMICU-ZYHUDNBSSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 ZINC000966382450 613377681 /nfs/dbraw/zinc/37/76/81/613377681.db2.gz DQTOBTFRMGDPMR-JQWIXIFHSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 ZINC000966382450 613377682 /nfs/dbraw/zinc/37/76/82/613377682.db2.gz DQTOBTFRMGDPMR-JQWIXIFHSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1 ZINC000957926550 613380382 /nfs/dbraw/zinc/38/03/82/613380382.db2.gz NIUKVGBMUCMFCJ-MWLCHTKSSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1 ZINC000957926550 613380383 /nfs/dbraw/zinc/38/03/83/613380383.db2.gz NIUKVGBMUCMFCJ-MWLCHTKSSA-N 1 2 285.731 0.450 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000878313623 613396127 /nfs/dbraw/zinc/39/61/27/613396127.db2.gz BMEYRHAPDRSQIS-NSHDSACASA-N 1 2 290.385 0.105 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)C(=O)OC ZINC000905768109 613405587 /nfs/dbraw/zinc/40/55/87/613405587.db2.gz QRFHITKMHXDECG-NWDGAFQWSA-N 1 2 257.330 0.889 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000878689362 613410566 /nfs/dbraw/zinc/41/05/66/613410566.db2.gz GZYMWBOREICREM-VXGBXAGGSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000878689362 613410567 /nfs/dbraw/zinc/41/05/67/613410567.db2.gz GZYMWBOREICREM-VXGBXAGGSA-N 1 2 283.372 0.840 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429462 613411615 /nfs/dbraw/zinc/41/16/15/613411615.db2.gz HLSCGYBTFYIRON-NWDGAFQWSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429462 613411616 /nfs/dbraw/zinc/41/16/16/613411616.db2.gz HLSCGYBTFYIRON-NWDGAFQWSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000956569510 613435042 /nfs/dbraw/zinc/43/50/42/613435042.db2.gz FGJKDCYRZYYWED-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000844285771 613446429 /nfs/dbraw/zinc/44/64/29/613446429.db2.gz ITWOLHCEEQCXPJ-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCC1(O)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000885696199 613460146 /nfs/dbraw/zinc/46/01/46/613460146.db2.gz HVHKGZXIHCAUEY-UHFFFAOYSA-N 1 2 299.396 0.616 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911277474 613468487 /nfs/dbraw/zinc/46/84/87/613468487.db2.gz XQKYVJRAKWGGTK-GTISMEIMSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000911277473 613468532 /nfs/dbraw/zinc/46/85/32/613468532.db2.gz XQKYVJRAKWGGTK-CMOQBRTCSA-N 1 2 294.395 0.972 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000835266250 613468581 /nfs/dbraw/zinc/46/85/81/613468581.db2.gz DLLLLXJQGDAAAE-UPJWGTAASA-N 1 2 269.341 0.841 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000852714480 613492699 /nfs/dbraw/zinc/49/26/99/613492699.db2.gz RIVYDSSJGUQHFN-CYBMUJFWSA-N 1 2 258.325 0.963 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000941285792 613529818 /nfs/dbraw/zinc/52/98/18/613529818.db2.gz YEQHALZLCYXQDP-UHFFFAOYSA-N 1 2 298.390 0.547 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC000941380962 613529851 /nfs/dbraw/zinc/52/98/51/613529851.db2.gz UDEXXXKBCFNESV-HNNXBMFYSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cocn3)CC2)C1 ZINC000941345517 613530164 /nfs/dbraw/zinc/53/01/64/613530164.db2.gz VICQGMNJXRQKFS-UHFFFAOYSA-N 1 2 288.351 0.140 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972218651 613570014 /nfs/dbraw/zinc/57/00/14/613570014.db2.gz NVXHYSQWBRPRKI-AWEZNQCLSA-N 1 2 286.322 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972218651 613570015 /nfs/dbraw/zinc/57/00/15/613570015.db2.gz NVXHYSQWBRPRKI-AWEZNQCLSA-N 1 2 286.322 0.968 20 30 CCEDLO C=CCCOCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928638005 613572864 /nfs/dbraw/zinc/57/28/64/613572864.db2.gz FEJCFIHIRCOUKM-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000909273743 613589438 /nfs/dbraw/zinc/58/94/38/613589438.db2.gz RUZXQJQRILBNQV-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520197 613590778 /nfs/dbraw/zinc/59/07/78/613590778.db2.gz DKOHENDZWGOOKT-RYUDHWBXSA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968520197 613590779 /nfs/dbraw/zinc/59/07/79/613590779.db2.gz DKOHENDZWGOOKT-RYUDHWBXSA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)nn1 ZINC000857977726 613595356 /nfs/dbraw/zinc/59/53/56/613595356.db2.gz YOITUSVQBOOYHR-SNVBAGLBSA-N 1 2 272.312 0.926 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)nn1 ZINC000879041208 613598317 /nfs/dbraw/zinc/59/83/17/613598317.db2.gz NDMFFXVZKICUNA-ZDUSSCGKSA-N 1 2 295.362 0.890 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](C(=O)OC)OC1=O)[C@H](C)COC ZINC000853533950 613650908 /nfs/dbraw/zinc/65/09/08/613650908.db2.gz FIHFLIWDCKWXQO-MNOVXSKESA-N 1 2 286.328 0.461 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](C(=O)OC)OC1=O)[C@H](C)COC ZINC000853533950 613650911 /nfs/dbraw/zinc/65/09/11/613650911.db2.gz FIHFLIWDCKWXQO-MNOVXSKESA-N 1 2 286.328 0.461 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000957369837 613653441 /nfs/dbraw/zinc/65/34/41/613653441.db2.gz BHCVFGNVHZIMAM-UHFFFAOYSA-N 1 2 294.399 0.496 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CN(C(C)=O)C2)C1 ZINC000949966517 613653477 /nfs/dbraw/zinc/65/34/77/613653477.db2.gz XHSDZVJSNMLYNV-UHFFFAOYSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000952394999 613655476 /nfs/dbraw/zinc/65/54/76/613655476.db2.gz QEYHINRYJBOQCI-STQMWFEESA-N 1 2 293.411 0.997 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nnc3c2CCCC3)CC1 ZINC000950549170 613709937 /nfs/dbraw/zinc/70/99/37/613709937.db2.gz ZLLAFMMPACCAAV-UHFFFAOYSA-N 1 2 289.383 0.487 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC000957823574 613712798 /nfs/dbraw/zinc/71/27/98/613712798.db2.gz ZEYKRDKNWSIVRC-CYBMUJFWSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3c2ncn3C)CC1 ZINC000950441615 613717414 /nfs/dbraw/zinc/71/74/14/613717414.db2.gz IQOBDSJKPGDBND-UHFFFAOYSA-N 1 2 285.351 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000948779371 613718507 /nfs/dbraw/zinc/71/85/07/613718507.db2.gz RHAJUEWONICLLF-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3csnn3)C2)C1 ZINC000972486055 613727611 /nfs/dbraw/zinc/72/76/11/613727611.db2.gz DUKFRLWQOCJBHI-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3csnn3)C2)C1 ZINC000972486055 613727612 /nfs/dbraw/zinc/72/76/12/613727612.db2.gz DUKFRLWQOCJBHI-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(NC)[nH+]cn2)C1=O ZINC000893667900 613738924 /nfs/dbraw/zinc/73/89/24/613738924.db2.gz FYCPBZBNWSRJSY-SNVBAGLBSA-N 1 2 261.329 0.741 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(NC)nc[nH+]2)C1=O ZINC000893667900 613738926 /nfs/dbraw/zinc/73/89/26/613738926.db2.gz FYCPBZBNWSRJSY-SNVBAGLBSA-N 1 2 261.329 0.741 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC000879940626 613778233 /nfs/dbraw/zinc/77/82/33/613778233.db2.gz ONZLYXWGGNNDSB-UPJWGTAASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC000879940626 613778236 /nfs/dbraw/zinc/77/82/36/613778236.db2.gz ONZLYXWGGNNDSB-UPJWGTAASA-N 1 2 298.408 0.140 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(C)=O)CC1 ZINC000846960740 613849703 /nfs/dbraw/zinc/84/97/03/613849703.db2.gz OTBHRAJHQUIABZ-UHFFFAOYSA-N 1 2 267.329 0.299 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840804057 613857361 /nfs/dbraw/zinc/85/73/61/613857361.db2.gz YVOTVSOJAZTQKE-PHIMTYICSA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840804057 613857359 /nfs/dbraw/zinc/85/73/59/613857359.db2.gz YVOTVSOJAZTQKE-PHIMTYICSA-N 1 2 255.387 0.500 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1CC ZINC000884092580 613877731 /nfs/dbraw/zinc/87/77/31/613877731.db2.gz ISPPZXMYGCJMND-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H]1C ZINC000884170203 613877761 /nfs/dbraw/zinc/87/77/61/613877761.db2.gz SCUWEPFKHRCHHC-MXWKQRLJSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCc1ccco1 ZINC000884417095 613878109 /nfs/dbraw/zinc/87/81/09/613878109.db2.gz XVZBVTYDOATKNP-LBPRGKRZSA-N 1 2 280.324 0.775 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC1(C)C ZINC000884137688 613878459 /nfs/dbraw/zinc/87/84/59/613878459.db2.gz SYANIUASVXLACY-UWVGGRQHSA-N 1 2 254.330 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C(C)C)C1CC1 ZINC000884413752 613878578 /nfs/dbraw/zinc/87/85/78/613878578.db2.gz CSAKVMLNJRJMBD-AAEUAGOBSA-N 1 2 268.357 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000884436276 613878816 /nfs/dbraw/zinc/87/88/16/613878816.db2.gz BDSIEYZRUJMZJK-XGZQDADWSA-N 1 2 284.356 0.361 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000884436277 613878822 /nfs/dbraw/zinc/87/88/22/613878822.db2.gz BDSIEYZRUJMZJK-XPCJQDJLSA-N 1 2 284.356 0.361 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(O)C1=O)n1cc[nH+]c1 ZINC000820132312 614180665 /nfs/dbraw/zinc/18/06/65/614180665.db2.gz PDYVBPKVKZNACA-QWRGUYRKSA-N 1 2 280.328 0.577 20 30 CCEDLO CC(C)(C(=O)N1CC[C@@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC000970485554 614293311 /nfs/dbraw/zinc/29/33/11/614293311.db2.gz VGVNYTUJIFMWEL-SNVBAGLBSA-N 1 2 261.329 0.401 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859141625 614502096 /nfs/dbraw/zinc/50/20/96/614502096.db2.gz KKVYLFCBXRUWJD-GFCCVEGCSA-N 1 2 295.383 0.268 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000859141625 614502098 /nfs/dbraw/zinc/50/20/98/614502098.db2.gz KKVYLFCBXRUWJD-GFCCVEGCSA-N 1 2 295.383 0.268 20 30 CCEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062037 614604553 /nfs/dbraw/zinc/60/45/53/614604553.db2.gz UUICMXZAHWHOSC-GFCCVEGCSA-N 1 2 275.356 0.692 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000878817905 615229249 /nfs/dbraw/zinc/22/92/49/615229249.db2.gz YJFWSDPCVQOUHE-LLVKDONJSA-N 1 2 282.344 0.179 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059846 615365473 /nfs/dbraw/zinc/36/54/73/615365473.db2.gz ZYWFFVVOMUZQMM-QWHCGFSZSA-N 1 2 281.356 0.096 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874710100 615365642 /nfs/dbraw/zinc/36/56/42/615365642.db2.gz FHUMXYRLRXQBFE-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874710100 615365647 /nfs/dbraw/zinc/36/56/47/615365647.db2.gz FHUMXYRLRXQBFE-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000874704502 615568912 /nfs/dbraw/zinc/56/89/12/615568912.db2.gz LFCXHOSTHJCFKM-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000874704502 615568913 /nfs/dbraw/zinc/56/89/13/615568913.db2.gz LFCXHOSTHJCFKM-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000874712510 615569121 /nfs/dbraw/zinc/56/91/21/615569121.db2.gz YJXTXCAGUPHTED-GFCCVEGCSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000874712510 615569122 /nfs/dbraw/zinc/56/91/22/615569122.db2.gz YJXTXCAGUPHTED-GFCCVEGCSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNc1cncc(C#N)n1 ZINC000872773059 615930227 /nfs/dbraw/zinc/93/02/27/615930227.db2.gz DAAQIUUYJWKPLT-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNc1cncc(C#N)n1 ZINC000872773059 615930228 /nfs/dbraw/zinc/93/02/28/615930228.db2.gz DAAQIUUYJWKPLT-LBPRGKRZSA-N 1 2 261.329 0.871 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971811715 616041344 /nfs/dbraw/zinc/04/13/44/616041344.db2.gz UEVPQZLSAHGTNV-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO Cn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514710 616097864 /nfs/dbraw/zinc/09/78/64/616097864.db2.gz VKDRQVVACUIVHH-CYBMUJFWSA-N 1 2 287.367 0.261 20 30 CCEDLO Cn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514710 616097865 /nfs/dbraw/zinc/09/78/65/616097865.db2.gz VKDRQVVACUIVHH-CYBMUJFWSA-N 1 2 287.367 0.261 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810118871 616166081 /nfs/dbraw/zinc/16/60/81/616166081.db2.gz GQVPPDXWUNCHEF-SSDOTTSWSA-N 1 2 267.226 0.991 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](CO)C1 ZINC000912739903 616229742 /nfs/dbraw/zinc/22/97/42/616229742.db2.gz JNLIZSHMAMWWEQ-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](CO)C1 ZINC000912739903 616229743 /nfs/dbraw/zinc/22/97/43/616229743.db2.gz JNLIZSHMAMWWEQ-LBPRGKRZSA-N 1 2 275.308 0.012 20 30 CCEDLO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877031117 616237832 /nfs/dbraw/zinc/23/78/32/616237832.db2.gz NCUFMNHVPQQFBI-ZDUSSCGKSA-N 1 2 293.802 0.942 20 30 CCEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2cccc(C#N)c2)C1 ZINC000866397826 616262815 /nfs/dbraw/zinc/26/28/15/616262815.db2.gz ARDACNSGPYMSDY-ZDUSSCGKSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2cccc(C#N)c2)C1 ZINC000866397826 616262816 /nfs/dbraw/zinc/26/28/16/616262816.db2.gz ARDACNSGPYMSDY-ZDUSSCGKSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccccc2C#N)C1 ZINC000866387274 616262979 /nfs/dbraw/zinc/26/29/79/616262979.db2.gz PKYRZUBRKSAOJL-LBPRGKRZSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccccc2C#N)C1 ZINC000866387274 616262980 /nfs/dbraw/zinc/26/29/80/616262980.db2.gz PKYRZUBRKSAOJL-LBPRGKRZSA-N 1 2 296.348 0.597 20 30 CCEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(CCC#N)CC2)C1(F)F ZINC000895462192 616510277 /nfs/dbraw/zinc/51/02/77/616510277.db2.gz SYGHYUQKJGYLMJ-QWRGUYRKSA-N 1 2 287.310 0.572 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC#N ZINC000812552263 616977084 /nfs/dbraw/zinc/97/70/84/616977084.db2.gz OSYHPDUDJYSXGQ-SNVBAGLBSA-N 1 2 264.285 0.235 20 30 CCEDLO COCC[N@H+](C[C@H](O)CC#N)C[C@@H](O)C(F)(F)F ZINC000930883973 617026924 /nfs/dbraw/zinc/02/69/24/617026924.db2.gz LVIPIVJIZNOLJK-RKDXNWHRSA-N 1 2 270.251 0.133 20 30 CCEDLO COCC[N@@H+](C[C@H](O)CC#N)C[C@@H](O)C(F)(F)F ZINC000930883973 617026928 /nfs/dbraw/zinc/02/69/28/617026928.db2.gz LVIPIVJIZNOLJK-RKDXNWHRSA-N 1 2 270.251 0.133 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000912749520 617106501 /nfs/dbraw/zinc/10/65/01/617106501.db2.gz BYZIYYSIOUHARU-AWEZNQCLSA-N 1 2 291.351 0.415 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000912749520 617106502 /nfs/dbraw/zinc/10/65/02/617106502.db2.gz BYZIYYSIOUHARU-AWEZNQCLSA-N 1 2 291.351 0.415 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001022966210 622870895 /nfs/dbraw/zinc/87/08/95/622870895.db2.gz HYADPTUCCFDUPB-TXEJJXNPSA-N 1 2 296.334 0.641 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972678669 623140605 /nfs/dbraw/zinc/14/06/05/623140605.db2.gz XJEMRLWEEPJOQF-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972678669 623140608 /nfs/dbraw/zinc/14/06/08/623140608.db2.gz XJEMRLWEEPJOQF-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007495139 623652248 /nfs/dbraw/zinc/65/22/48/623652248.db2.gz JAIKWANAOYOSEU-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001007495139 623652252 /nfs/dbraw/zinc/65/22/52/623652252.db2.gz JAIKWANAOYOSEU-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010458468 624477729 /nfs/dbraw/zinc/47/77/29/624477729.db2.gz RXZHDRMASPGQOF-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010458468 624477732 /nfs/dbraw/zinc/47/77/32/624477732.db2.gz RXZHDRMASPGQOF-NSHDSACASA-N 1 2 299.338 0.019 20 30 CCEDLO Cc1nonc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027335764 625836873 /nfs/dbraw/zinc/83/68/73/625836873.db2.gz JTMOFWSZSRXSJI-ZYHUDNBSSA-N 1 2 291.355 0.961 20 30 CCEDLO Cc1nonc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027335764 625836878 /nfs/dbraw/zinc/83/68/78/625836878.db2.gz JTMOFWSZSRXSJI-ZYHUDNBSSA-N 1 2 291.355 0.961 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435856 625880942 /nfs/dbraw/zinc/88/09/42/625880942.db2.gz MFLUPQRHENIZQE-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435856 625880944 /nfs/dbraw/zinc/88/09/44/625880944.db2.gz MFLUPQRHENIZQE-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnns1 ZINC001027772684 630907206 /nfs/dbraw/zinc/90/72/06/630907206.db2.gz NBXKRVBFKOQGLZ-JTQLQIEISA-N 1 2 264.354 0.756 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnns1 ZINC001027772684 630907213 /nfs/dbraw/zinc/90/72/13/630907213.db2.gz NBXKRVBFKOQGLZ-JTQLQIEISA-N 1 2 264.354 0.756 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001027814346 630941415 /nfs/dbraw/zinc/94/14/15/630941415.db2.gz MJVJUSUDARLTFN-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001027814346 630941418 /nfs/dbraw/zinc/94/14/18/630941418.db2.gz MJVJUSUDARLTFN-NEPJUHHUSA-N 1 2 299.802 0.846 20 30 CCEDLO N#CCN1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080082 631227969 /nfs/dbraw/zinc/22/79/69/631227969.db2.gz RVWJJXIWDGFNAK-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO N#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550627 631288558 /nfs/dbraw/zinc/28/85/58/631288558.db2.gz PVMFNOSRZCDNCR-VXGBXAGGSA-N 1 2 261.329 0.424 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(CC#N)CC1 ZINC000982143222 631379039 /nfs/dbraw/zinc/37/90/39/631379039.db2.gz QAOOUPJGYJAKRB-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(CC#N)CC1 ZINC000982143222 631379045 /nfs/dbraw/zinc/37/90/45/631379045.db2.gz QAOOUPJGYJAKRB-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008367352 650111143 /nfs/dbraw/zinc/11/11/43/650111143.db2.gz VJIVOSWENSGXQF-ZJUUUORDSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008367352 650111145 /nfs/dbraw/zinc/11/11/45/650111145.db2.gz VJIVOSWENSGXQF-ZJUUUORDSA-N 1 2 286.763 0.001 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@](O)(CC#N)C2)c[nH+]1 ZINC000898087120 633276588 /nfs/dbraw/zinc/27/65/88/633276588.db2.gz WWUBQCIJWWISOR-AWEZNQCLSA-N 1 2 276.340 0.804 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001008440430 650114408 /nfs/dbraw/zinc/11/44/08/650114408.db2.gz DTPRFVOTYKFMJQ-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001008440430 650114411 /nfs/dbraw/zinc/11/44/11/650114411.db2.gz DTPRFVOTYKFMJQ-VIFPVBQESA-N 1 2 250.277 0.376 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C#N)n1C ZINC000898891386 633685071 /nfs/dbraw/zinc/68/50/71/633685071.db2.gz HXRLBGVJSHEHNV-SNVBAGLBSA-N 1 2 273.296 0.094 20 30 CCEDLO C/C(=C\C(=O)N(C)C[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000900329166 633990640 /nfs/dbraw/zinc/99/06/40/633990640.db2.gz LPNKZBSFWIQRES-RPHSKFLZSA-N 1 2 265.357 0.883 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccsc2C#N)CC[N@@H+]1CCO ZINC000907542677 635148598 /nfs/dbraw/zinc/14/85/98/635148598.db2.gz DBKNBJQBIDDHLV-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccsc2C#N)CC[N@H+]1CCO ZINC000907542677 635148602 /nfs/dbraw/zinc/14/86/02/635148602.db2.gz DBKNBJQBIDDHLV-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO N#CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907802850 635204004 /nfs/dbraw/zinc/20/40/04/635204004.db2.gz AMCAILSGFIEZKX-UHFFFAOYSA-N 1 2 276.340 0.464 20 30 CCEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000908346266 635357302 /nfs/dbraw/zinc/35/73/02/635357302.db2.gz JUSFVUMUNXABRS-ZDUSSCGKSA-N 1 2 297.318 0.899 20 30 CCEDLO C=CCOCCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000912500743 636599094 /nfs/dbraw/zinc/59/90/94/636599094.db2.gz QJKNRAGSXSINAG-OWBHPGMISA-N 1 2 282.384 0.974 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453729 636811156 /nfs/dbraw/zinc/81/11/56/636811156.db2.gz PEAKHSUANXKSBH-CYBMUJFWSA-N 1 2 296.334 0.772 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)n1 ZINC000913453368 636811599 /nfs/dbraw/zinc/81/15/99/636811599.db2.gz LLDLMPZTBHRWKC-ZDUSSCGKSA-N 1 2 282.307 0.463 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456097 636812086 /nfs/dbraw/zinc/81/20/86/636812086.db2.gz GQCPORRIIZYZMP-PWSUYJOCSA-N 1 2 261.329 0.443 20 30 CCEDLO C[C@@H]1CCc2n[nH]c(C(=O)NCC#CC[NH+](C)C)c2C1 ZINC000913524128 636833812 /nfs/dbraw/zinc/83/38/12/636833812.db2.gz ANKVBDNUAUSEQQ-LLVKDONJSA-N 1 2 274.368 0.829 20 30 CCEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992150554 637324229 /nfs/dbraw/zinc/32/42/29/637324229.db2.gz HZYGODKXEFUWEJ-BXUZGUMPSA-N 1 2 276.315 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992150554 637324237 /nfs/dbraw/zinc/32/42/37/637324237.db2.gz HZYGODKXEFUWEJ-BXUZGUMPSA-N 1 2 276.315 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992326394 637365253 /nfs/dbraw/zinc/36/52/53/637365253.db2.gz GJDWRRFPWBFTJA-MFKMUULPSA-N 1 2 259.313 0.165 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc[nH]n3)CCC[C@@H]12 ZINC000992326394 637365259 /nfs/dbraw/zinc/36/52/59/637365259.db2.gz GJDWRRFPWBFTJA-MFKMUULPSA-N 1 2 259.313 0.165 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015619524 637753270 /nfs/dbraw/zinc/75/32/70/637753270.db2.gz APCJDUCJBUPMIT-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001015619524 637753273 /nfs/dbraw/zinc/75/32/73/637753273.db2.gz APCJDUCJBUPMIT-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993771834 637846300 /nfs/dbraw/zinc/84/63/00/637846300.db2.gz HICIXQYDDXYLGM-WDEREUQCSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993771834 637846303 /nfs/dbraw/zinc/84/63/03/637846303.db2.gz HICIXQYDDXYLGM-WDEREUQCSA-N 1 2 278.356 0.894 20 30 CCEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c1C#N ZINC000921413136 638178806 /nfs/dbraw/zinc/17/88/06/638178806.db2.gz FBULDGGUUMNKHH-LLVKDONJSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c1C#N ZINC000921413136 638178808 /nfs/dbraw/zinc/17/88/08/638178808.db2.gz FBULDGGUUMNKHH-LLVKDONJSA-N 1 2 279.365 0.849 20 30 CCEDLO N#Cc1ccc(F)c(NC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000888361051 638875009 /nfs/dbraw/zinc/87/50/09/638875009.db2.gz VPXDEDBQUSWFRO-UHFFFAOYSA-N 1 2 292.314 0.839 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014497864 650457170 /nfs/dbraw/zinc/45/71/70/650457170.db2.gz YDOBHJDDEIGCNN-GVXVVHGQSA-N 1 2 270.760 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014497864 650457171 /nfs/dbraw/zinc/45/71/71/650457171.db2.gz YDOBHJDDEIGCNN-GVXVVHGQSA-N 1 2 270.760 0.966 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000998745304 638938164 /nfs/dbraw/zinc/93/81/64/638938164.db2.gz GRSCFUNSDKYDFG-VHSXEESVSA-N 1 2 279.369 0.778 20 30 CCEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(NCC#N)C1 ZINC000998929869 638949953 /nfs/dbraw/zinc/94/99/53/638949953.db2.gz PIOAVRDOXCSSTF-KIDURHIOSA-N 1 2 273.340 0.616 20 30 CCEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC(NCC#N)C1 ZINC000999009515 638954128 /nfs/dbraw/zinc/95/41/28/638954128.db2.gz GRHSVJIEKSRSAG-HIFPTAJRSA-N 1 2 287.367 0.548 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC001002722014 639446178 /nfs/dbraw/zinc/44/61/78/639446178.db2.gz CZGVWBYWQUSLTC-UHFFFAOYSA-N 1 2 283.763 0.762 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014984364 650511589 /nfs/dbraw/zinc/51/15/89/650511589.db2.gz SLIWWHMERPHVHF-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(CC#N)CC1 ZINC001004053350 639670571 /nfs/dbraw/zinc/67/05/71/639670571.db2.gz OOHAWJIURUOIKQ-UHFFFAOYSA-N 1 2 261.329 0.365 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592948 650586553 /nfs/dbraw/zinc/58/65/53/650586553.db2.gz RMROQKLCEATLHW-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001015592948 650586555 /nfs/dbraw/zinc/58/65/55/650586555.db2.gz RMROQKLCEATLHW-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015656432 650602558 /nfs/dbraw/zinc/60/25/58/650602558.db2.gz MMDMHRIZWLIRRK-SECBINFHSA-N 1 2 250.302 0.116 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001015656432 650602560 /nfs/dbraw/zinc/60/25/60/650602560.db2.gz MMDMHRIZWLIRRK-SECBINFHSA-N 1 2 250.302 0.116 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001015679205 650608104 /nfs/dbraw/zinc/60/81/04/650608104.db2.gz VNRRUNKLIZPQPZ-CYBMUJFWSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001015679205 650608106 /nfs/dbraw/zinc/60/81/06/650608106.db2.gz VNRRUNKLIZPQPZ-CYBMUJFWSA-N 1 2 261.300 0.837 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(=O)c1C#N ZINC000808228396 640857399 /nfs/dbraw/zinc/85/73/99/640857399.db2.gz IHQVPVIKAJKZEX-NSHDSACASA-N 1 2 274.324 0.183 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c(=O)c1C#N ZINC000808228396 640857401 /nfs/dbraw/zinc/85/74/01/640857401.db2.gz IHQVPVIKAJKZEX-NSHDSACASA-N 1 2 274.324 0.183 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000809575685 640900373 /nfs/dbraw/zinc/90/03/73/640900373.db2.gz AOHRWXPNBNBKCG-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO N#CC[C@@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000809575685 640900377 /nfs/dbraw/zinc/90/03/77/640900377.db2.gz AOHRWXPNBNBKCG-CQSZACIVSA-N 1 2 260.341 0.474 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000811808221 640987655 /nfs/dbraw/zinc/98/76/55/640987655.db2.gz ZSXCCVUDOJJFGR-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015991458 650670554 /nfs/dbraw/zinc/67/05/54/650670554.db2.gz BLPPEMFSHVUNTN-GHMZBOCLSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001015991458 650670555 /nfs/dbraw/zinc/67/05/55/650670555.db2.gz BLPPEMFSHVUNTN-GHMZBOCLSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015991458 650670557 /nfs/dbraw/zinc/67/05/57/650670557.db2.gz BLPPEMFSHVUNTN-GHMZBOCLSA-N 1 2 275.356 0.286 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001015991458 650670558 /nfs/dbraw/zinc/67/05/58/650670558.db2.gz BLPPEMFSHVUNTN-GHMZBOCLSA-N 1 2 275.356 0.286 20 30 CCEDLO Cc1ccccc1C[C@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121364524 642017041 /nfs/dbraw/zinc/01/70/41/642017041.db2.gz SOMAIZXKPXHYBQ-LBPRGKRZSA-N 1 2 293.367 0.713 20 30 CCEDLO C[C@@H]1CC(NC(=O)C=CC[NH+]2CCOCC2)=NO1 ZINC000867063241 642175343 /nfs/dbraw/zinc/17/53/43/642175343.db2.gz RRRASKADYPPFSG-VMZHVLLKSA-N 1 2 253.302 0.113 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#CC1CC1 ZINC000837629912 642758751 /nfs/dbraw/zinc/75/87/51/642758751.db2.gz LMTBUQJSWTURCM-JSGCOSHPSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccn1 ZINC001017364488 650797022 /nfs/dbraw/zinc/79/70/22/650797022.db2.gz HHCFHNYHBVBXSR-OKILXGFUSA-N 1 2 272.352 0.582 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccn1 ZINC001017364488 650797024 /nfs/dbraw/zinc/79/70/24/650797024.db2.gz HHCFHNYHBVBXSR-OKILXGFUSA-N 1 2 272.352 0.582 20 30 CCEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001017581813 650811936 /nfs/dbraw/zinc/81/19/36/650811936.db2.gz XUYVZRLCOFULLZ-BETUJISGSA-N 1 2 298.408 0.282 20 30 CCEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001017581813 650811939 /nfs/dbraw/zinc/81/19/39/650811939.db2.gz XUYVZRLCOFULLZ-BETUJISGSA-N 1 2 298.408 0.282 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543886 650809961 /nfs/dbraw/zinc/80/99/61/650809961.db2.gz HSKYTQMVYBWQJO-YVECIDJPSA-N 1 2 277.324 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543886 650809963 /nfs/dbraw/zinc/80/99/63/650809963.db2.gz HSKYTQMVYBWQJO-YVECIDJPSA-N 1 2 277.324 0.350 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001017844469 650826160 /nfs/dbraw/zinc/82/61/60/650826160.db2.gz QYLWWDFBAYAMKW-AEGPPILISA-N 1 2 284.363 0.889 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001017844469 650826162 /nfs/dbraw/zinc/82/61/62/650826162.db2.gz QYLWWDFBAYAMKW-AEGPPILISA-N 1 2 284.363 0.889 20 30 CCEDLO N#CCCNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852711184 643989019 /nfs/dbraw/zinc/98/90/19/643989019.db2.gz CJWGCNSVVWBZTH-LBPRGKRZSA-N 1 2 283.278 0.618 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@@]1(C#N)CCCOC1)[NH+]1CCOCC1 ZINC000865178788 645334719 /nfs/dbraw/zinc/33/47/19/645334719.db2.gz FWHVXVYZGIFWGO-GZBFAFLISA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866399389 645526901 /nfs/dbraw/zinc/52/69/01/645526901.db2.gz SULKUVYWBYRUHD-YPMHNXCESA-N 1 2 275.352 0.981 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059399 645955874 /nfs/dbraw/zinc/95/58/74/645955874.db2.gz SNKAYPPBUUYIRI-QWHCGFSZSA-N 1 2 281.356 0.096 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015175 647145115 /nfs/dbraw/zinc/14/51/15/647145115.db2.gz XIHSPIPGUAUDSM-UPJWGTAASA-N 1 2 286.397 0.672 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015175 647145120 /nfs/dbraw/zinc/14/51/20/647145120.db2.gz XIHSPIPGUAUDSM-UPJWGTAASA-N 1 2 286.397 0.672 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)N1CC#N ZINC000880455748 647203458 /nfs/dbraw/zinc/20/34/58/647203458.db2.gz BTLWETNMAZVQLX-TXEJJXNPSA-N 1 2 275.356 0.787 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000880455748 647203463 /nfs/dbraw/zinc/20/34/63/647203463.db2.gz BTLWETNMAZVQLX-TXEJJXNPSA-N 1 2 275.356 0.787 20 30 CCEDLO NC(Cc1ccccc1)=[NH+]OCCCN1C(=O)CNC1=O ZINC000131602767 647516371 /nfs/dbraw/zinc/51/63/71/647516371.db2.gz SYXSVEGOPBKLQR-UHFFFAOYSA-N 1 2 290.323 0.460 20 30 CCEDLO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ncn(C)n1 ZINC000886157803 647909982 /nfs/dbraw/zinc/90/99/82/647909982.db2.gz LGQUHWUQCVBWJE-WDEREUQCSA-N 1 2 263.345 0.911 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@]23CCOC3)CCC1 ZINC000886188584 647916694 /nfs/dbraw/zinc/91/66/94/647916694.db2.gz VPAKIZITPWOXPM-DZGCQCFKSA-N 1 2 280.368 0.923 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@]23CCOC3)CCC1 ZINC000886188584 647916697 /nfs/dbraw/zinc/91/66/97/647916697.db2.gz VPAKIZITPWOXPM-DZGCQCFKSA-N 1 2 280.368 0.923 20 30 CCEDLO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000886355771 647969710 /nfs/dbraw/zinc/96/97/10/647969710.db2.gz NMBHEOIJJOXDND-UPJWGTAASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000886355771 647969717 /nfs/dbraw/zinc/96/97/17/647969717.db2.gz NMBHEOIJJOXDND-UPJWGTAASA-N 1 2 298.408 0.023 20 30 CCEDLO N#C[C@@]12C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]1CS(=O)(=O)C2 ZINC000932967892 649108152 /nfs/dbraw/zinc/10/81/52/649108152.db2.gz HPDPTFHSGDSNMR-LPWJVIDDSA-N 1 2 284.381 0.160 20 30 CCEDLO N#C[C@@]12C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]1CS(=O)(=O)C2 ZINC000932967892 649108154 /nfs/dbraw/zinc/10/81/54/649108154.db2.gz HPDPTFHSGDSNMR-LPWJVIDDSA-N 1 2 284.381 0.160 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000934511728 649177597 /nfs/dbraw/zinc/17/75/97/649177597.db2.gz XWYIGHZWICOXQC-NWDGAFQWSA-N 1 2 281.356 0.335 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H](C)COC ZINC000934511728 649177599 /nfs/dbraw/zinc/17/75/99/649177599.db2.gz XWYIGHZWICOXQC-NWDGAFQWSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCOCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159097277 649314950 /nfs/dbraw/zinc/31/49/50/649314950.db2.gz CAJDLRXVYACQJA-UHFFFAOYSA-N 1 2 268.357 0.253 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(CC#N)[C@@H](C)C1 ZINC000947975141 649357651 /nfs/dbraw/zinc/35/76/51/649357651.db2.gz KLSYQFGHHWDAIS-JQWIXIFHSA-N 1 2 275.356 0.753 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCOC ZINC001230533380 805613084 /nfs/dbraw/zinc/61/30/84/805613084.db2.gz WVOPBWKJPUKDRK-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCOC ZINC001230533380 805613087 /nfs/dbraw/zinc/61/30/87/805613087.db2.gz WVOPBWKJPUKDRK-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230563260 805624064 /nfs/dbraw/zinc/62/40/64/805624064.db2.gz ZFSBFNDITFQYTQ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230563260 805624065 /nfs/dbraw/zinc/62/40/65/805624065.db2.gz ZFSBFNDITFQYTQ-NEPJUHHUSA-N 1 2 267.373 0.620 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC2(F)F)CC1 ZINC001266283317 790398317 /nfs/dbraw/zinc/39/83/17/790398317.db2.gz MNZPPYPTGGVNRC-GFCCVEGCSA-N 1 2 285.338 0.399 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1cnc(C#N)cn1 ZINC001104226209 790452548 /nfs/dbraw/zinc/45/25/48/790452548.db2.gz LNWBHTQJDUERJB-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266321447 790502796 /nfs/dbraw/zinc/50/27/96/790502796.db2.gz SKAUDOQFERRVSG-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266321447 790502807 /nfs/dbraw/zinc/50/28/07/790502807.db2.gz SKAUDOQFERRVSG-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO CCCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266343002 790547965 /nfs/dbraw/zinc/54/79/65/790547965.db2.gz WGWYNYDADDBUCE-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO CCCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266343002 790547977 /nfs/dbraw/zinc/54/79/77/790547977.db2.gz WGWYNYDADDBUCE-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001266344444 790552446 /nfs/dbraw/zinc/55/24/46/790552446.db2.gz JQEDRXQGNCZXQG-GFCCVEGCSA-N 1 2 288.413 0.435 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001266344444 790552453 /nfs/dbraw/zinc/55/24/53/790552453.db2.gz JQEDRXQGNCZXQG-GFCCVEGCSA-N 1 2 288.413 0.435 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001266596832 791001330 /nfs/dbraw/zinc/00/13/30/791001330.db2.gz PMDRXXDAWNUZHS-UHFFFAOYSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001266596832 791001341 /nfs/dbraw/zinc/00/13/41/791001341.db2.gz PMDRXXDAWNUZHS-UHFFFAOYSA-N 1 2 287.791 0.831 20 30 CCEDLO C=CCOCC(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001266657037 791089363 /nfs/dbraw/zinc/08/93/63/791089363.db2.gz LWEOVKFCMKWFID-JTQLQIEISA-N 1 2 282.344 0.690 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001231121726 805735772 /nfs/dbraw/zinc/73/57/72/805735772.db2.gz HLJYSSGXUXDJBJ-QWRGUYRKSA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001231121726 805735778 /nfs/dbraw/zinc/73/57/78/805735778.db2.gz HLJYSSGXUXDJBJ-QWRGUYRKSA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231137646 805737675 /nfs/dbraw/zinc/73/76/75/805737675.db2.gz CAHNHODKOWGKMZ-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231137646 805737682 /nfs/dbraw/zinc/73/76/82/805737682.db2.gz CAHNHODKOWGKMZ-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001231225700 805755757 /nfs/dbraw/zinc/75/57/57/805755757.db2.gz HRMKQGDHWSURGH-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001231225700 805755758 /nfs/dbraw/zinc/75/57/58/805755758.db2.gz HRMKQGDHWSURGH-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO CCCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231368889 805785527 /nfs/dbraw/zinc/78/55/27/805785527.db2.gz PNTIBHSNPTVPOP-OAHLLOKOSA-N 1 2 296.411 0.986 20 30 CCEDLO CCCCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231368889 805785529 /nfs/dbraw/zinc/78/55/29/805785529.db2.gz PNTIBHSNPTVPOP-OAHLLOKOSA-N 1 2 296.411 0.986 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001231410566 805796834 /nfs/dbraw/zinc/79/68/34/805796834.db2.gz JZKFRLMNJGZYAG-JSGCOSHPSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001231410566 805796841 /nfs/dbraw/zinc/79/68/41/805796841.db2.gz JZKFRLMNJGZYAG-JSGCOSHPSA-N 1 2 293.411 0.867 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001277593766 805876062 /nfs/dbraw/zinc/87/60/62/805876062.db2.gz MJHBEURLZNCHDC-NSHDSACASA-N 1 2 250.342 0.577 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)COCc2cccnc2)C1 ZINC001277686241 805960451 /nfs/dbraw/zinc/96/04/51/805960451.db2.gz FKIQPOUBLIOPCO-UHFFFAOYSA-N 1 2 275.352 0.927 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(c3ccc(C#N)cn3)C2)C1 ZINC001277686900 805960936 /nfs/dbraw/zinc/96/09/36/805960936.db2.gz ACYSPCAWRVIPOX-UHFFFAOYSA-N 1 2 285.351 0.163 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001232679026 805969869 /nfs/dbraw/zinc/96/98/69/805969869.db2.gz YTPUOMBXDPSSOY-WCQYABFASA-N 1 2 271.320 0.832 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001232679026 805969872 /nfs/dbraw/zinc/96/98/72/805969872.db2.gz YTPUOMBXDPSSOY-WCQYABFASA-N 1 2 271.320 0.832 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(C#N)cc1O ZINC001233387495 806052498 /nfs/dbraw/zinc/05/24/98/806052498.db2.gz LHPAGBODMFDAGX-CYBMUJFWSA-N 1 2 289.335 0.553 20 30 CCEDLO C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)NCC#N ZINC001266941293 791376705 /nfs/dbraw/zinc/37/67/05/791376705.db2.gz QIPZPZUFNRGFDT-ZWNOBZJWSA-N 1 2 290.371 0.408 20 30 CCEDLO C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)NCC#N ZINC001266941293 791376715 /nfs/dbraw/zinc/37/67/15/791376715.db2.gz QIPZPZUFNRGFDT-ZWNOBZJWSA-N 1 2 290.371 0.408 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001100589752 791602335 /nfs/dbraw/zinc/60/23/35/791602335.db2.gz PVWMMYRXOKCODF-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)C#CC(C)C ZINC001267195256 791656045 /nfs/dbraw/zinc/65/60/45/791656045.db2.gz SXIAEDYAGVOOAC-UHFFFAOYSA-N 1 2 267.373 0.172 20 30 CCEDLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)C ZINC001267195256 791656049 /nfs/dbraw/zinc/65/60/49/791656049.db2.gz SXIAEDYAGVOOAC-UHFFFAOYSA-N 1 2 267.373 0.172 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724647923 791690535 /nfs/dbraw/zinc/69/05/35/791690535.db2.gz VNUOEDRGBNIUPE-AVGNSLFASA-N 1 2 254.330 0.652 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724647923 791690540 /nfs/dbraw/zinc/69/05/40/791690540.db2.gz VNUOEDRGBNIUPE-AVGNSLFASA-N 1 2 254.330 0.652 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233612875 806092413 /nfs/dbraw/zinc/09/24/13/806092413.db2.gz ZRDSGOPKKOTQLP-CYBMUJFWSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233612875 806092426 /nfs/dbraw/zinc/09/24/26/806092426.db2.gz ZRDSGOPKKOTQLP-CYBMUJFWSA-N 1 2 290.367 0.216 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233684248 806106820 /nfs/dbraw/zinc/10/68/20/806106820.db2.gz ZVDBTDGIWXQARB-CQSZACIVSA-N 1 2 291.395 0.932 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233684248 806106826 /nfs/dbraw/zinc/10/68/26/806106826.db2.gz ZVDBTDGIWXQARB-CQSZACIVSA-N 1 2 291.395 0.932 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233761955 806117612 /nfs/dbraw/zinc/11/76/12/806117612.db2.gz NXYRUWUJPVBCOH-CQSZACIVSA-N 1 2 293.411 0.801 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233761955 806117615 /nfs/dbraw/zinc/11/76/15/806117615.db2.gz NXYRUWUJPVBCOH-CQSZACIVSA-N 1 2 293.411 0.801 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001234119888 806185647 /nfs/dbraw/zinc/18/56/47/806185647.db2.gz RSVKOBAMFSYWBA-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001234119888 806185656 /nfs/dbraw/zinc/18/56/56/806185656.db2.gz RSVKOBAMFSYWBA-AWEZNQCLSA-N 1 2 291.395 0.411 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234163076 806194268 /nfs/dbraw/zinc/19/42/68/806194268.db2.gz XMNTXCJAISUVBO-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234163076 806194272 /nfs/dbraw/zinc/19/42/72/806194272.db2.gz XMNTXCJAISUVBO-OLZOCXBDSA-N 1 2 279.384 0.313 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c2cc(C#N)ccc21 ZINC001237473692 806672326 /nfs/dbraw/zinc/67/23/26/806672326.db2.gz RILXXACCFFDVQB-OAHLLOKOSA-N 1 2 298.346 0.736 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c2cc(C#N)ccc21 ZINC001237473692 806672328 /nfs/dbraw/zinc/67/23/28/806672328.db2.gz RILXXACCFFDVQB-OAHLLOKOSA-N 1 2 298.346 0.736 20 30 CCEDLO C#Cc1nccnc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237494954 806675838 /nfs/dbraw/zinc/67/58/38/806675838.db2.gz ZAOQKPBHANGYBY-UHFFFAOYSA-N 1 2 280.353 0.199 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1 ZINC001278127679 806706868 /nfs/dbraw/zinc/70/68/68/806706868.db2.gz CJGWBXZACABDGU-LBPRGKRZSA-N 1 2 281.356 0.762 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC001121279694 799025396 /nfs/dbraw/zinc/02/53/96/799025396.db2.gz XAXDVYQITHRJJE-BXUZGUMPSA-N 1 2 279.388 0.739 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC001121279694 799025402 /nfs/dbraw/zinc/02/54/02/799025402.db2.gz XAXDVYQITHRJJE-BXUZGUMPSA-N 1 2 279.388 0.739 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001123679944 799453531 /nfs/dbraw/zinc/45/35/31/799453531.db2.gz BZMSDPZNZHUKAX-LLVKDONJSA-N 1 2 251.330 0.654 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123796721 799476529 /nfs/dbraw/zinc/47/65/29/799476529.db2.gz ZOMFKJASSIDKTK-CHWSQXEVSA-N 1 2 266.389 0.285 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123796721 799476532 /nfs/dbraw/zinc/47/65/32/799476532.db2.gz ZOMFKJASSIDKTK-CHWSQXEVSA-N 1 2 266.389 0.285 20 30 CCEDLO C=CCn1cc(C(=O)NCc2coc(C[NH+](C)C)n2)nn1 ZINC001124058439 799547320 /nfs/dbraw/zinc/54/73/20/799547320.db2.gz LZUAYESTHYFNDH-UHFFFAOYSA-N 1 2 290.327 0.444 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124488827 799608882 /nfs/dbraw/zinc/60/88/82/799608882.db2.gz VQMFZJZQXBQEIC-JTQLQIEISA-N 1 2 284.385 0.725 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@@H]3CCC(=O)N3)CCC2S1 ZINC001202823235 799727875 /nfs/dbraw/zinc/72/78/75/799727875.db2.gz RLDZDQMTFUASPH-UWVGGRQHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCC(=O)N3)CCC2S1 ZINC001202823235 799727878 /nfs/dbraw/zinc/72/78/78/799727878.db2.gz RLDZDQMTFUASPH-UWVGGRQHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]2S1 ZINC001202823235 799727881 /nfs/dbraw/zinc/72/78/81/799727881.db2.gz RLDZDQMTFUASPH-UWVGGRQHSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]2S1 ZINC001202823235 799727883 /nfs/dbraw/zinc/72/78/83/799727883.db2.gz RLDZDQMTFUASPH-UWVGGRQHSA-N 1 2 252.339 0.539 20 30 CCEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001276397049 799777330 /nfs/dbraw/zinc/77/73/30/799777330.db2.gz MNGBMZXDGIAHAL-QWRGUYRKSA-N 1 2 288.413 0.432 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)nc2)CCCO1 ZINC001140546850 799922150 /nfs/dbraw/zinc/92/21/50/799922150.db2.gz WYNGRXVDPHLMCB-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCCO1 ZINC001140546850 799922156 /nfs/dbraw/zinc/92/21/56/799922156.db2.gz WYNGRXVDPHLMCB-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207437 800609379 /nfs/dbraw/zinc/60/93/79/800609379.db2.gz JCSMJKXZGZNNEB-CYBMUJFWSA-N 1 2 291.399 0.801 20 30 CCEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207437 800609381 /nfs/dbraw/zinc/60/93/81/800609381.db2.gz JCSMJKXZGZNNEB-CYBMUJFWSA-N 1 2 291.399 0.801 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCOC[C@@H]3C#N)sc2C1 ZINC001154219438 800742092 /nfs/dbraw/zinc/74/20/92/800742092.db2.gz WJTIQEKAGRCTNN-VIFPVBQESA-N 1 2 292.364 0.496 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCOC[C@@H]3C#N)sc2C1 ZINC001154219438 800742097 /nfs/dbraw/zinc/74/20/97/800742097.db2.gz WJTIQEKAGRCTNN-VIFPVBQESA-N 1 2 292.364 0.496 20 30 CCEDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001206660055 801117121 /nfs/dbraw/zinc/11/71/21/801117121.db2.gz VHQUWWZFQYMCLH-CKYFFXLPSA-N 1 2 292.339 0.779 20 30 CCEDLO COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001206660055 801117127 /nfs/dbraw/zinc/11/71/27/801117127.db2.gz VHQUWWZFQYMCLH-CKYFFXLPSA-N 1 2 292.339 0.779 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(OC)c2C#N)C[NH2+]1 ZINC001156242132 801137303 /nfs/dbraw/zinc/13/73/03/801137303.db2.gz AYOHPAYVQIPNHX-WPRPVWTQSA-N 1 2 276.296 0.277 20 30 CCEDLO COc1cccc2c1ncnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156320934 801150122 /nfs/dbraw/zinc/15/01/22/801150122.db2.gz IURQQENGSVAJGD-JTQLQIEISA-N 1 2 269.308 0.940 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC001261210221 808926370 /nfs/dbraw/zinc/92/63/70/808926370.db2.gz GPUWYEAYYNMAFQ-JTQLQIEISA-N 1 2 250.302 0.609 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ncccc2C#N)cn1 ZINC001163412199 802553800 /nfs/dbraw/zinc/55/38/00/802553800.db2.gz NVTQMPDTDIIOIF-LBPRGKRZSA-N 1 2 285.307 0.572 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC(C)(C)CO1 ZINC001262036023 809168236 /nfs/dbraw/zinc/16/82/36/809168236.db2.gz CYVYOLCIVABJHE-MNOVXSKESA-N 1 2 284.356 0.364 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001264369088 809644957 /nfs/dbraw/zinc/64/49/57/809644957.db2.gz PSDVASLANQTACU-VXGBXAGGSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001264369088 809644961 /nfs/dbraw/zinc/64/49/61/809644961.db2.gz PSDVASLANQTACU-VXGBXAGGSA-N 1 2 281.400 0.995 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C3(C#N)CC3)cn2)C[NH2+]1 ZINC001164301878 802713859 /nfs/dbraw/zinc/71/38/59/802713859.db2.gz JZACLBMHWSBRDV-RYUDHWBXSA-N 1 2 286.335 0.952 20 30 CCEDLO Cc1nc(C#N)cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164498301 802749094 /nfs/dbraw/zinc/74/90/94/802749094.db2.gz QSVKHEQCXNRGDY-UHFFFAOYSA-N 1 2 253.256 0.702 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)nc1 ZINC001164642389 802774160 /nfs/dbraw/zinc/77/41/60/802774160.db2.gz VPHVUJXOWFXQRA-MRVPVSSYSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nccnc1Cl ZINC001164650779 802775150 /nfs/dbraw/zinc/77/51/50/802775150.db2.gz AJRKVSDIBXTKHM-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cncc(Cl)n1 ZINC001164651401 802775262 /nfs/dbraw/zinc/77/52/62/802775262.db2.gz FTKLBQDWEHQWIG-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001164651460 802775580 /nfs/dbraw/zinc/77/55/80/802775580.db2.gz HZOFEBADADYOOE-CYBMUJFWSA-N 1 2 285.351 0.619 20 30 CCEDLO CCOC(=O)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1C ZINC001164651930 802775753 /nfs/dbraw/zinc/77/57/53/802775753.db2.gz MYGMABGCLJKEDD-NSHDSACASA-N 1 2 274.324 0.869 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(Cn2cncn2)cn1 ZINC001164662011 802776424 /nfs/dbraw/zinc/77/64/24/802776424.db2.gz RVJLFTKZVXXRRN-GFCCVEGCSA-N 1 2 269.312 0.023 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(N2CCCC2)ccn1 ZINC001164652915 802776483 /nfs/dbraw/zinc/77/64/83/802776483.db2.gz VGHCWSYNBRTFRO-CYBMUJFWSA-N 1 2 257.341 0.984 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CCNCC#N ZINC001104836068 811739704 /nfs/dbraw/zinc/73/97/04/811739704.db2.gz SDFMBHMACLTVHF-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001083295713 811801836 /nfs/dbraw/zinc/80/18/36/811801836.db2.gz KGACNZPYBULJGN-KGLIPLIRSA-N 1 2 289.335 0.248 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001083295713 811801843 /nfs/dbraw/zinc/80/18/43/811801843.db2.gz KGACNZPYBULJGN-KGLIPLIRSA-N 1 2 289.335 0.248 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198556 812356844 /nfs/dbraw/zinc/35/68/44/812356844.db2.gz KTOUOYBCZVXTQI-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198556 812356850 /nfs/dbraw/zinc/35/68/50/812356850.db2.gz KTOUOYBCZVXTQI-SNVBAGLBSA-N 1 2 283.763 0.762 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C ZINC001203905074 803051543 /nfs/dbraw/zinc/05/15/43/803051543.db2.gz QAPAWTTXHXOSGC-CQSZACIVSA-N 1 2 273.336 0.847 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C ZINC001203905074 803051549 /nfs/dbraw/zinc/05/15/49/803051549.db2.gz QAPAWTTXHXOSGC-CQSZACIVSA-N 1 2 273.336 0.847 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001205715703 803164904 /nfs/dbraw/zinc/16/49/04/803164904.db2.gz XSYRJLABXWWPAW-GHMZBOCLSA-N 1 2 285.363 0.473 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001205715703 803164907 /nfs/dbraw/zinc/16/49/07/803164907.db2.gz XSYRJLABXWWPAW-GHMZBOCLSA-N 1 2 285.363 0.473 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001206491032 803253725 /nfs/dbraw/zinc/25/37/25/803253725.db2.gz WYAPWOAGXUFPBB-GHMZBOCLSA-N 1 2 293.371 0.011 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001206491032 803253729 /nfs/dbraw/zinc/25/37/29/803253729.db2.gz WYAPWOAGXUFPBB-GHMZBOCLSA-N 1 2 293.371 0.011 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001276531305 803395304 /nfs/dbraw/zinc/39/53/04/803395304.db2.gz AVJVTURIAIZXFC-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001276531305 803395311 /nfs/dbraw/zinc/39/53/11/803395311.db2.gz AVJVTURIAIZXFC-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)OCC)[C@H](OC)C1 ZINC001211959778 814945139 /nfs/dbraw/zinc/94/51/39/814945139.db2.gz TWNNWGWQTUWLSX-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)OCC)[C@H](OC)C1 ZINC001211959778 814945141 /nfs/dbraw/zinc/94/51/41/814945141.db2.gz TWNNWGWQTUWLSX-FRRDWIJNSA-N 1 2 268.357 0.250 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209055416 803571885 /nfs/dbraw/zinc/57/18/85/803571885.db2.gz UFGNNQOYMYFBPZ-FRRDWIJNSA-N 1 2 294.399 0.355 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209055416 803571887 /nfs/dbraw/zinc/57/18/87/803571887.db2.gz UFGNNQOYMYFBPZ-FRRDWIJNSA-N 1 2 294.399 0.355 20 30 CCEDLO CC[C@H](F)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213277950 803688028 /nfs/dbraw/zinc/68/80/28/803688028.db2.gz KTLAUSCOMLPCHR-YNEHKIRRSA-N 1 2 286.347 0.200 20 30 CCEDLO CC[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213277950 803688033 /nfs/dbraw/zinc/68/80/33/803688033.db2.gz KTLAUSCOMLPCHR-YNEHKIRRSA-N 1 2 286.347 0.200 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OCC)[C@H]2C1 ZINC001217450854 803890556 /nfs/dbraw/zinc/89/05/56/803890556.db2.gz PWFWETKIOMONAD-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)OCC)[C@H]2C1 ZINC001217450854 803890565 /nfs/dbraw/zinc/89/05/65/803890565.db2.gz PWFWETKIOMONAD-RRFJBIMHSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)SC)[C@H]2C1 ZINC001217660742 803900295 /nfs/dbraw/zinc/90/02/95/803900295.db2.gz ZBJOGLXJESHASS-FRRDWIJNSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)SC)[C@H]2C1 ZINC001217660742 803900300 /nfs/dbraw/zinc/90/03/00/803900300.db2.gz ZBJOGLXJESHASS-FRRDWIJNSA-N 1 2 282.409 0.673 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001219104869 804200277 /nfs/dbraw/zinc/20/02/77/804200277.db2.gz HFPOARKXUIYQDB-CABCVRRESA-N 1 2 288.347 0.111 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001219104869 804200280 /nfs/dbraw/zinc/20/02/80/804200280.db2.gz HFPOARKXUIYQDB-CABCVRRESA-N 1 2 288.347 0.111 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219383215 804283411 /nfs/dbraw/zinc/28/34/11/804283411.db2.gz GYNUGDMXDCKXGF-ONLZYIPISA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219383215 804283415 /nfs/dbraw/zinc/28/34/15/804283415.db2.gz GYNUGDMXDCKXGF-ONLZYIPISA-N 1 2 257.721 0.060 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)sn1 ZINC001219381206 804292132 /nfs/dbraw/zinc/29/21/32/804292132.db2.gz KVJTUEXAHNCZOO-AXTRIDKLSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)sn1 ZINC001219381206 804292137 /nfs/dbraw/zinc/29/21/37/804292137.db2.gz KVJTUEXAHNCZOO-AXTRIDKLSA-N 1 2 294.380 0.273 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@@H](O)C1 ZINC001220291829 804564121 /nfs/dbraw/zinc/56/41/21/804564121.db2.gz HWZYWSLVKPLNKF-MBNYWOFBSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@@H](O)C1 ZINC001220291829 804564125 /nfs/dbraw/zinc/56/41/25/804564125.db2.gz HWZYWSLVKPLNKF-MBNYWOFBSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@@H](O)C1 ZINC001220408045 804599146 /nfs/dbraw/zinc/59/91/46/804599146.db2.gz RAAZHMHZWVDHOM-BDAKNGLRSA-N 1 2 276.258 0.123 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@@H](O)C1 ZINC001220408045 804599155 /nfs/dbraw/zinc/59/91/55/804599155.db2.gz RAAZHMHZWVDHOM-BDAKNGLRSA-N 1 2 276.258 0.123 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220492903 804615128 /nfs/dbraw/zinc/61/51/28/804615128.db2.gz CFRIWYQGIGEOTN-XQQFMLRXSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220492903 804615131 /nfs/dbraw/zinc/61/51/31/804615131.db2.gz CFRIWYQGIGEOTN-XQQFMLRXSA-N 1 2 266.385 0.853 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)[C@@H](O)C1 ZINC001220680038 804649023 /nfs/dbraw/zinc/64/90/23/804649023.db2.gz JAWHKCBTHABOFS-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)[C@@H](O)C1 ZINC001220680038 804649028 /nfs/dbraw/zinc/64/90/28/804649028.db2.gz JAWHKCBTHABOFS-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](O)C1 ZINC001220961833 804709365 /nfs/dbraw/zinc/70/93/65/804709365.db2.gz JRIZJFVEBCEZOG-CABCVRRESA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)[C@@H](O)C1 ZINC001220961833 804709367 /nfs/dbraw/zinc/70/93/67/804709367.db2.gz JRIZJFVEBCEZOG-CABCVRRESA-N 1 2 288.347 0.168 20 30 CCEDLO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221535014 804828044 /nfs/dbraw/zinc/82/80/44/804828044.db2.gz IVCQERKTCYLYAR-CHWSQXEVSA-N 1 2 291.395 0.315 20 30 CCEDLO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221535014 804828052 /nfs/dbraw/zinc/82/80/52/804828052.db2.gz IVCQERKTCYLYAR-CHWSQXEVSA-N 1 2 291.395 0.315 20 30 CCEDLO CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221965134 804857204 /nfs/dbraw/zinc/85/72/04/804857204.db2.gz CWZSZKXWNQVDFJ-VXGBXAGGSA-N 1 2 292.383 0.205 20 30 CCEDLO CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221965134 804857211 /nfs/dbraw/zinc/85/72/11/804857211.db2.gz CWZSZKXWNQVDFJ-VXGBXAGGSA-N 1 2 292.383 0.205 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001276874931 804960958 /nfs/dbraw/zinc/96/09/58/804960958.db2.gz IMETUIGGRRKDSU-CYBMUJFWSA-N 1 2 261.300 0.587 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001276874931 804960964 /nfs/dbraw/zinc/96/09/64/804960964.db2.gz IMETUIGGRRKDSU-CYBMUJFWSA-N 1 2 261.300 0.587 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC001276883571 804966902 /nfs/dbraw/zinc/96/69/02/804966902.db2.gz KXMZWGDWOXASIT-CQSZACIVSA-N 1 2 285.347 0.839 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC001276883571 804966906 /nfs/dbraw/zinc/96/69/06/804966906.db2.gz KXMZWGDWOXASIT-CQSZACIVSA-N 1 2 285.347 0.839 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001276891812 804973641 /nfs/dbraw/zinc/97/36/41/804973641.db2.gz MNZFYTAVZAEMSN-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001276891812 804973645 /nfs/dbraw/zinc/97/36/45/804973645.db2.gz MNZFYTAVZAEMSN-GJZGRUSLSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001276898474 804979154 /nfs/dbraw/zinc/97/91/54/804979154.db2.gz KVJJEBWKLMPWDW-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001276898474 804979158 /nfs/dbraw/zinc/97/91/58/804979158.db2.gz KVJJEBWKLMPWDW-MNOVXSKESA-N 1 2 267.373 0.653 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001276915924 804987799 /nfs/dbraw/zinc/98/77/99/804987799.db2.gz GBBZVHVBUIEZRZ-KGLIPLIRSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001276915924 804987802 /nfs/dbraw/zinc/98/78/02/804987802.db2.gz GBBZVHVBUIEZRZ-KGLIPLIRSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001276915926 804987857 /nfs/dbraw/zinc/98/78/57/804987857.db2.gz GBBZVHVBUIEZRZ-ZIAGYGMSSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001276915926 804987863 /nfs/dbraw/zinc/98/78/63/804987863.db2.gz GBBZVHVBUIEZRZ-ZIAGYGMSSA-N 1 2 282.384 0.498 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC001225813165 805163994 /nfs/dbraw/zinc/16/39/94/805163994.db2.gz RDSQKCGIHSXETO-UHFFFAOYSA-N 1 2 290.323 0.114 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n(C)n1 ZINC001226428354 805231138 /nfs/dbraw/zinc/23/11/38/805231138.db2.gz TVYAECSAAXUVCX-PINQPDRWSA-N 1 2 293.323 0.198 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n(C)n1 ZINC001226428354 805231144 /nfs/dbraw/zinc/23/11/44/805231144.db2.gz TVYAECSAAXUVCX-PINQPDRWSA-N 1 2 293.323 0.198 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226672919 805263126 /nfs/dbraw/zinc/26/31/26/805263126.db2.gz XPCBKPYRYABCKX-CHWSQXEVSA-N 1 2 275.356 0.883 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226672919 805263133 /nfs/dbraw/zinc/26/31/33/805263133.db2.gz XPCBKPYRYABCKX-CHWSQXEVSA-N 1 2 275.356 0.883 20 30 CCEDLO C=C(C)C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001142518111 815070456 /nfs/dbraw/zinc/07/04/56/815070456.db2.gz OPBYNHPBIJYDHE-NSHDSACASA-N 1 2 265.313 0.587 20 30 CCEDLO C=C(C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001142518034 815070699 /nfs/dbraw/zinc/07/06/99/815070699.db2.gz LLDXVFOAGKXCBE-JTQLQIEISA-N 1 2 251.286 0.197 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CN1 ZINC001246695768 807358832 /nfs/dbraw/zinc/35/88/32/807358832.db2.gz QGWZHVKDEGKZJS-WOPDTQHZSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CN1 ZINC001246695768 807358841 /nfs/dbraw/zinc/35/88/41/807358841.db2.gz QGWZHVKDEGKZJS-WOPDTQHZSA-N 1 2 296.392 0.554 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800554 807387581 /nfs/dbraw/zinc/38/75/81/807387581.db2.gz FIDZJAATJCFOJZ-NEPJUHHUSA-N 1 2 251.330 0.516 20 30 CCEDLO C=CC(C)(C)C(=O)N(CCO)CC[NH2+]Cc1nncs1 ZINC001272225080 815120304 /nfs/dbraw/zinc/12/03/04/815120304.db2.gz LKKADVQDXSOVAV-UHFFFAOYSA-N 1 2 298.412 0.661 20 30 CCEDLO C=C1CN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001251640187 807691561 /nfs/dbraw/zinc/69/15/61/807691561.db2.gz NEOLOVXDPXUNSY-RYUDHWBXSA-N 1 2 252.362 0.202 20 30 CCEDLO C=C1CN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001251640187 807691568 /nfs/dbraw/zinc/69/15/68/807691568.db2.gz NEOLOVXDPXUNSY-RYUDHWBXSA-N 1 2 252.362 0.202 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001251855587 807722849 /nfs/dbraw/zinc/72/28/49/807722849.db2.gz ZFZYQNNAWGIFNF-CABCVRRESA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001251855587 807722852 /nfs/dbraw/zinc/72/28/52/807722852.db2.gz ZFZYQNNAWGIFNF-CABCVRRESA-N 1 2 276.336 0.466 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001083480495 815149733 /nfs/dbraw/zinc/14/97/33/815149733.db2.gz MSNOYOBMOOSHSN-KGLIPLIRSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001083480495 815149735 /nfs/dbraw/zinc/14/97/35/815149735.db2.gz MSNOYOBMOOSHSN-KGLIPLIRSA-N 1 2 284.315 0.841 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@@](C)(O)C=C ZINC001252550569 807908382 /nfs/dbraw/zinc/90/83/82/807908382.db2.gz OMSVYJLHLMZKDA-HIFRSBDPSA-N 1 2 292.383 0.854 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@](C)(O)C=C ZINC001252550569 807908391 /nfs/dbraw/zinc/90/83/91/807908391.db2.gz OMSVYJLHLMZKDA-HIFRSBDPSA-N 1 2 292.383 0.854 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252596629 807916650 /nfs/dbraw/zinc/91/66/50/807916650.db2.gz QZCVYEVIQXDGKZ-AAEUAGOBSA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252596629 807916655 /nfs/dbraw/zinc/91/66/55/807916655.db2.gz QZCVYEVIQXDGKZ-AAEUAGOBSA-N 1 2 280.372 0.688 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253577412 808086329 /nfs/dbraw/zinc/08/63/29/808086329.db2.gz UWSKRJXRHUDZPN-PWSUYJOCSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253577412 808086334 /nfs/dbraw/zinc/08/63/34/808086334.db2.gz UWSKRJXRHUDZPN-PWSUYJOCSA-N 1 2 266.345 0.391 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001126880909 815179590 /nfs/dbraw/zinc/17/95/90/815179590.db2.gz GKGJEMFVYWZOAH-UHFFFAOYSA-N 1 2 288.351 0.641 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)/C=C(\C)CC)C1 ZINC001278862572 808351676 /nfs/dbraw/zinc/35/16/76/808351676.db2.gz ASWBYWHDNVVGAF-UKTHLTGXSA-N 1 2 282.384 0.708 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198770 815258084 /nfs/dbraw/zinc/25/80/84/815258084.db2.gz LMYGVGHGVDNEFN-UONOGXRCSA-N 1 2 298.346 0.076 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198770 815258086 /nfs/dbraw/zinc/25/80/86/815258086.db2.gz LMYGVGHGVDNEFN-UONOGXRCSA-N 1 2 298.346 0.076 20 30 CCEDLO N#CCSCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001262185493 809230740 /nfs/dbraw/zinc/23/07/40/809230740.db2.gz QOQHLFNYGBIXEN-JTQLQIEISA-N 1 2 265.342 0.139 20 30 CCEDLO C=C(C)Cn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001262211480 809245753 /nfs/dbraw/zinc/24/57/53/809245753.db2.gz GVQSIQFNCHJNBG-UHFFFAOYSA-N 1 2 299.382 0.966 20 30 CCEDLO C=CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1C ZINC001262885716 809420535 /nfs/dbraw/zinc/42/05/35/809420535.db2.gz CWNGRGZHLDLMPZ-UHFFFAOYSA-N 1 2 295.387 0.286 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C[C@H](C)SC)n2C)CC1 ZINC001262889199 809420631 /nfs/dbraw/zinc/42/06/31/809420631.db2.gz KZFMPZYPZRZSRG-LBPRGKRZSA-N 1 2 293.440 0.864 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCCC#N)n2CC)CC1 ZINC001263041874 809428126 /nfs/dbraw/zinc/42/81/26/809428126.db2.gz RXYPUXTZRRHHBS-UHFFFAOYSA-N 1 2 286.383 0.899 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CNC(C)=O ZINC001263815101 809576235 /nfs/dbraw/zinc/57/62/35/809576235.db2.gz RJJJPSJZQSHDQD-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CNC(C)=O ZINC001263815101 809576239 /nfs/dbraw/zinc/57/62/39/809576239.db2.gz RJJJPSJZQSHDQD-CYBMUJFWSA-N 1 2 279.384 0.315 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076517536 815306242 /nfs/dbraw/zinc/30/62/42/815306242.db2.gz OHVGEEKHRYLXMB-GXTWGEPZSA-N 1 2 287.367 0.409 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CCC(F)F)CC1 ZINC001265261300 809734983 /nfs/dbraw/zinc/73/49/83/809734983.db2.gz DYOPNOJLCNVSAO-UHFFFAOYSA-N 1 2 274.315 0.289 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)c2c[nH]cc2C)CC1 ZINC001265266428 809736793 /nfs/dbraw/zinc/73/67/93/809736793.db2.gz MVLDXFRBWRNBGZ-UHFFFAOYSA-N 1 2 288.395 0.694 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001265296598 809750775 /nfs/dbraw/zinc/75/07/75/809750775.db2.gz AEXQGXWYJZBFSL-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001265296598 809750781 /nfs/dbraw/zinc/75/07/81/809750781.db2.gz AEXQGXWYJZBFSL-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001265655964 809820266 /nfs/dbraw/zinc/82/02/66/809820266.db2.gz SSOAFRPLZWAQOE-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001265655964 809820275 /nfs/dbraw/zinc/82/02/75/809820275.db2.gz SSOAFRPLZWAQOE-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CC1 ZINC001076663508 815330478 /nfs/dbraw/zinc/33/04/78/815330478.db2.gz LOZGCWZMEJRZEW-HZPDHXFCSA-N 1 2 284.359 0.609 20 30 CCEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CC1 ZINC001076663508 815330484 /nfs/dbraw/zinc/33/04/84/815330484.db2.gz LOZGCWZMEJRZEW-HZPDHXFCSA-N 1 2 284.359 0.609 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001266210040 809964209 /nfs/dbraw/zinc/96/42/09/809964209.db2.gz USISDFHLSOQYPD-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001266210040 809964213 /nfs/dbraw/zinc/96/42/13/809964213.db2.gz USISDFHLSOQYPD-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO O=C(CC1CC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076672209 815342972 /nfs/dbraw/zinc/34/29/72/815342972.db2.gz JGPKRTWOPLWQGR-IAGOWNOFSA-N 1 2 298.386 1.000 20 30 CCEDLO O=C(CC1CC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076672209 815342978 /nfs/dbraw/zinc/34/29/78/815342978.db2.gz JGPKRTWOPLWQGR-IAGOWNOFSA-N 1 2 298.386 1.000 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 ZINC001076730550 815355605 /nfs/dbraw/zinc/35/56/05/815355605.db2.gz VHQZRXQOFVUNNU-NXEZZACHSA-N 1 2 282.369 0.198 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 ZINC001076730550 815355611 /nfs/dbraw/zinc/35/56/11/815355611.db2.gz VHQZRXQOFVUNNU-NXEZZACHSA-N 1 2 282.369 0.198 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001076953683 815421949 /nfs/dbraw/zinc/42/19/49/815421949.db2.gz NDAKQVSIQIQNET-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001076953683 815421951 /nfs/dbraw/zinc/42/19/51/815421951.db2.gz NDAKQVSIQIQNET-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001038281800 811165208 /nfs/dbraw/zinc/16/52/08/811165208.db2.gz UWLQOAOOBNBCGV-KGLIPLIRSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001038281800 811165210 /nfs/dbraw/zinc/16/52/10/811165210.db2.gz UWLQOAOOBNBCGV-KGLIPLIRSA-N 1 2 291.395 0.459 20 30 CCEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001267389544 811273515 /nfs/dbraw/zinc/27/35/15/811273515.db2.gz WPQOSDRSXJUNID-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001267389544 811273521 /nfs/dbraw/zinc/27/35/21/811273521.db2.gz WPQOSDRSXJUNID-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001077034545 815436154 /nfs/dbraw/zinc/43/61/54/815436154.db2.gz CIDIELLVAXBJLI-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001077034545 815436158 /nfs/dbraw/zinc/43/61/58/815436158.db2.gz CIDIELLVAXBJLI-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001077051641 815438195 /nfs/dbraw/zinc/43/81/95/815438195.db2.gz CINDHRPLYMZYJH-NFAWXSAZSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001077051641 815438197 /nfs/dbraw/zinc/43/81/97/815438197.db2.gz CINDHRPLYMZYJH-NFAWXSAZSA-N 1 2 262.353 0.527 20 30 CCEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1F ZINC001140752145 811385534 /nfs/dbraw/zinc/38/55/34/811385534.db2.gz GOFIDDYAQXDUNM-ZANVPECISA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1c(F)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1F ZINC001140752145 811385543 /nfs/dbraw/zinc/38/55/43/811385543.db2.gz GOFIDDYAQXDUNM-ZANVPECISA-N 1 2 268.263 0.621 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)C#CC2CC2)CC1 ZINC001267607464 811552835 /nfs/dbraw/zinc/55/28/35/811552835.db2.gz JNGVFIODNCZQRR-UHFFFAOYSA-N 1 2 273.380 0.109 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001267614180 811566738 /nfs/dbraw/zinc/56/67/38/811566738.db2.gz CUOPYLNQBWNUGO-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267614180 811566746 /nfs/dbraw/zinc/56/67/46/811566746.db2.gz CUOPYLNQBWNUGO-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@]2(C)CCOC2)CC1 ZINC001267617311 811574909 /nfs/dbraw/zinc/57/49/09/811574909.db2.gz BTZSCTOTAHQLGB-MRXNPFEDSA-N 1 2 295.427 0.675 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267628669 811586978 /nfs/dbraw/zinc/58/69/78/811586978.db2.gz GBMSUUDXMWHUKV-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2OCC)C1 ZINC001267638176 811598683 /nfs/dbraw/zinc/59/86/83/811598683.db2.gz TVVWNEVGWWDSND-QWHCGFSZSA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001077232961 815465664 /nfs/dbraw/zinc/46/56/64/815465664.db2.gz GYLCUIKBDFWDNO-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001077232961 815465666 /nfs/dbraw/zinc/46/56/66/815465666.db2.gz GYLCUIKBDFWDNO-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCC(=C)C)C1 ZINC001267684405 811649760 /nfs/dbraw/zinc/64/97/60/811649760.db2.gz WFQYLKWHWJHBBG-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267692391 811656546 /nfs/dbraw/zinc/65/65/46/811656546.db2.gz DWCHZFCDKIMHFF-ZIAGYGMSSA-N 1 2 291.395 0.220 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001267712826 811674370 /nfs/dbraw/zinc/67/43/70/811674370.db2.gz WIKSMMMSXVUSFX-IHRRRGAJSA-N 1 2 274.364 0.721 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001267712826 811674375 /nfs/dbraw/zinc/67/43/75/811674375.db2.gz WIKSMMMSXVUSFX-IHRRRGAJSA-N 1 2 274.364 0.721 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)C1 ZINC001267718728 811681763 /nfs/dbraw/zinc/68/17/63/811681763.db2.gz GAFOCNOWPPSRRT-LBPRGKRZSA-N 1 2 290.367 0.131 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)C1 ZINC001267718728 811681769 /nfs/dbraw/zinc/68/17/69/811681769.db2.gz GAFOCNOWPPSRRT-LBPRGKRZSA-N 1 2 290.367 0.131 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001077209627 815462875 /nfs/dbraw/zinc/46/28/75/815462875.db2.gz QPLHKJMHNBAKJD-GHMZBOCLSA-N 1 2 279.365 0.168 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001077209627 815462879 /nfs/dbraw/zinc/46/28/79/815462879.db2.gz QPLHKJMHNBAKJD-GHMZBOCLSA-N 1 2 279.365 0.168 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267730885 811699509 /nfs/dbraw/zinc/69/95/09/811699509.db2.gz FMPHDXYNEPWYON-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267730885 811699513 /nfs/dbraw/zinc/69/95/13/811699513.db2.gz FMPHDXYNEPWYON-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267749553 811740833 /nfs/dbraw/zinc/74/08/33/811740833.db2.gz KOTVAANAKVZRNT-NWDGAFQWSA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267749553 811740837 /nfs/dbraw/zinc/74/08/37/811740837.db2.gz KOTVAANAKVZRNT-NWDGAFQWSA-N 1 2 280.372 0.109 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105139281 811855437 /nfs/dbraw/zinc/85/54/37/811855437.db2.gz BUOFDMSXCKJWGK-UHFFFAOYSA-N 1 2 275.356 0.430 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001267913915 811867351 /nfs/dbraw/zinc/86/73/51/811867351.db2.gz GESIQRFGNRLZOW-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001267913915 811867357 /nfs/dbraw/zinc/86/73/57/811867357.db2.gz GESIQRFGNRLZOW-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3C)C2)nn1 ZINC001105318773 811909137 /nfs/dbraw/zinc/90/91/37/811909137.db2.gz OIYNAZLFQBTRKN-NEPJUHHUSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C(C)C)C2)nn1 ZINC001105337009 811956795 /nfs/dbraw/zinc/95/67/95/811956795.db2.gz PHODWBHQUXURNK-LBPRGKRZSA-N 1 2 289.383 0.676 20 30 CCEDLO C[C@H]([NH2+]CCNC(=O)c1c[nH]c(C#N)c1)c1csnn1 ZINC001125994775 811972496 /nfs/dbraw/zinc/97/24/96/811972496.db2.gz JPGMYCMKABYSGH-QMMMGPOBSA-N 1 2 290.352 0.818 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001268028773 812019062 /nfs/dbraw/zinc/01/90/62/812019062.db2.gz NHGIJAUBGNAMDZ-CHWSQXEVSA-N 1 2 297.399 0.137 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001268028773 812019069 /nfs/dbraw/zinc/01/90/69/812019069.db2.gz NHGIJAUBGNAMDZ-CHWSQXEVSA-N 1 2 297.399 0.137 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754752 812044562 /nfs/dbraw/zinc/04/45/62/812044562.db2.gz ZWJTXRQMFSDALV-NSHDSACASA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754752 812044565 /nfs/dbraw/zinc/04/45/65/812044565.db2.gz ZWJTXRQMFSDALV-NSHDSACASA-N 1 2 284.319 0.706 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083313282 812089075 /nfs/dbraw/zinc/08/90/75/812089075.db2.gz BRAHPSNMFQSCEX-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083313282 812089085 /nfs/dbraw/zinc/08/90/85/812089085.db2.gz BRAHPSNMFQSCEX-NEPJUHHUSA-N 1 2 278.377 0.855 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027980984 812191436 /nfs/dbraw/zinc/19/14/36/812191436.db2.gz HTFAPSXRKZACJB-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596269 812226583 /nfs/dbraw/zinc/22/65/83/812226583.db2.gz SGGMBUJSHRWZCE-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001075596269 812226589 /nfs/dbraw/zinc/22/65/89/812226589.db2.gz SGGMBUJSHRWZCE-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001268169899 812339239 /nfs/dbraw/zinc/33/92/39/812339239.db2.gz NZSSEMVIZSWWGP-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001268169899 812339241 /nfs/dbraw/zinc/33/92/41/812339241.db2.gz NZSSEMVIZSWWGP-ZDUSSCGKSA-N 1 2 292.383 0.703 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001058919462 812385776 /nfs/dbraw/zinc/38/57/76/812385776.db2.gz PSUYSUHCWYHNGA-ZDUSSCGKSA-N 1 2 296.334 0.863 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001126335271 812397265 /nfs/dbraw/zinc/39/72/65/812397265.db2.gz WPQPSLMQQKCPSZ-UHFFFAOYSA-N 1 2 280.328 0.225 20 30 CCEDLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)C#CC1CC1 ZINC001268237868 812403740 /nfs/dbraw/zinc/40/37/40/812403740.db2.gz QTCITZZPRKUSQI-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)C#CC1CC1 ZINC001268237868 812403743 /nfs/dbraw/zinc/40/37/43/812403743.db2.gz QTCITZZPRKUSQI-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO COCC#CC[N@H+](C)CCN(C)C(=O)Cn1cncc1C ZINC001268242666 812407508 /nfs/dbraw/zinc/40/75/08/812407508.db2.gz AROYWXFNCPFCQK-UHFFFAOYSA-N 1 2 292.383 0.232 20 30 CCEDLO COCC#CC[N@@H+](C)CCN(C)C(=O)Cn1cncc1C ZINC001268242666 812407514 /nfs/dbraw/zinc/40/75/14/812407514.db2.gz AROYWXFNCPFCQK-UHFFFAOYSA-N 1 2 292.383 0.232 20 30 CCEDLO CCC(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268247110 812413711 /nfs/dbraw/zinc/41/37/11/812413711.db2.gz LRVSDZWWELKOKF-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268247110 812413713 /nfs/dbraw/zinc/41/37/13/812413713.db2.gz LRVSDZWWELKOKF-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO CC[C@H](C)[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268251986 812417603 /nfs/dbraw/zinc/41/76/03/812417603.db2.gz LXYLVXWBSWLNEQ-QWHCGFSZSA-N 1 2 296.415 0.699 20 30 CCEDLO CC[C@H](C)[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268251986 812417610 /nfs/dbraw/zinc/41/76/10/812417610.db2.gz LXYLVXWBSWLNEQ-QWHCGFSZSA-N 1 2 296.415 0.699 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001268307828 812471768 /nfs/dbraw/zinc/47/17/68/812471768.db2.gz WEGICDLUNLADIC-NSHDSACASA-N 1 2 284.385 0.461 20 30 CCEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001082525268 820993413 /nfs/dbraw/zinc/99/34/13/820993413.db2.gz IEXGXOXXPOMFDQ-IWSPIJDZSA-N 1 2 266.238 0.957 20 30 CCEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001082525268 820993429 /nfs/dbraw/zinc/99/34/29/820993429.db2.gz IEXGXOXXPOMFDQ-IWSPIJDZSA-N 1 2 266.238 0.957 20 30 CCEDLO COCC#CCN1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001268343393 812507017 /nfs/dbraw/zinc/50/70/17/812507017.db2.gz QBBOCZDZRZKJFN-UHFFFAOYSA-N 1 2 298.346 0.398 20 30 CCEDLO C=CCC(C)(C)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001268456673 812597106 /nfs/dbraw/zinc/59/71/06/812597106.db2.gz RIBCHUNITMYZCH-GFCCVEGCSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@@H](C)n2cccn2)C1 ZINC001268467101 812616592 /nfs/dbraw/zinc/61/65/92/812616592.db2.gz AADLBBJLMZCFNW-CYBMUJFWSA-N 1 2 292.383 0.837 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001126357355 812623033 /nfs/dbraw/zinc/62/30/33/812623033.db2.gz YDCXCBNWVJBHBT-SNVBAGLBSA-N 1 2 264.329 0.948 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](CCCC)NC(N)=O)C1 ZINC001268492003 812687390 /nfs/dbraw/zinc/68/73/90/812687390.db2.gz PVMXRMJXQFAQDL-LBPRGKRZSA-N 1 2 280.372 0.037 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)[C@@H](O)C1 ZINC001083617733 815553889 /nfs/dbraw/zinc/55/38/89/815553889.db2.gz ZVYCTRJKZVHSFP-KGLIPLIRSA-N 1 2 299.330 0.165 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)[C@@H](O)C1 ZINC001083617733 815553891 /nfs/dbraw/zinc/55/38/91/815553891.db2.gz ZVYCTRJKZVHSFP-KGLIPLIRSA-N 1 2 299.330 0.165 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001126377509 812803280 /nfs/dbraw/zinc/80/32/80/812803280.db2.gz BKRILEOVCCDAPH-YGRLFVJLSA-N 1 2 296.371 0.726 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2F)[C@@H](O)C1 ZINC001083619206 815555322 /nfs/dbraw/zinc/55/53/22/815555322.db2.gz GZVRHHICAIHRGZ-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2F)[C@@H](O)C1 ZINC001083619206 815555328 /nfs/dbraw/zinc/55/53/28/815555328.db2.gz GZVRHHICAIHRGZ-OLZOCXBDSA-N 1 2 296.729 0.887 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001083373928 812919213 /nfs/dbraw/zinc/91/92/13/812919213.db2.gz DSTUAGJGBKTLTQ-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](O)C1 ZINC001083373928 812919215 /nfs/dbraw/zinc/91/92/15/812919215.db2.gz DSTUAGJGBKTLTQ-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001083390063 812931125 /nfs/dbraw/zinc/93/11/25/812931125.db2.gz APPDNWQSWSPSBG-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001083390063 812931126 /nfs/dbraw/zinc/93/11/26/812931126.db2.gz APPDNWQSWSPSBG-NEPJUHHUSA-N 1 2 264.350 0.465 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC1C[NH+](CC(=O)NC)C1)OCC ZINC001268833429 813106364 /nfs/dbraw/zinc/10/63/64/813106364.db2.gz PHGXOHYYYUDTPV-ZDUSSCGKSA-N 1 2 297.399 0.152 20 30 CCEDLO CC[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001268922475 813144470 /nfs/dbraw/zinc/14/44/70/813144470.db2.gz OXRMXJBAEHLLHQ-RDBSUJKOSA-N 1 2 264.369 0.967 20 30 CCEDLO CC[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001268922475 813144471 /nfs/dbraw/zinc/14/44/71/813144471.db2.gz OXRMXJBAEHLLHQ-RDBSUJKOSA-N 1 2 264.369 0.967 20 30 CCEDLO C=CCOCCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001268988255 813170731 /nfs/dbraw/zinc/17/07/31/813170731.db2.gz CITYVCKHVDQWBG-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCOCCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001268988255 813170734 /nfs/dbraw/zinc/17/07/34/813170734.db2.gz CITYVCKHVDQWBG-RYUDHWBXSA-N 1 2 254.330 0.121 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001127045890 815602286 /nfs/dbraw/zinc/60/22/86/815602286.db2.gz JPQXROBMELJIGM-UWVGGRQHSA-N 1 2 282.369 0.343 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC(=C)C)C1 ZINC001269134623 813233248 /nfs/dbraw/zinc/23/32/48/813233248.db2.gz POSFTPSDLHIMNC-CYBMUJFWSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC(=C)C)C1 ZINC001269134623 813233250 /nfs/dbraw/zinc/23/32/50/813233250.db2.gz POSFTPSDLHIMNC-CYBMUJFWSA-N 1 2 277.368 0.283 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001059079814 813240293 /nfs/dbraw/zinc/24/02/93/813240293.db2.gz WQMFRXZLIQYBCV-LBPRGKRZSA-N 1 2 296.334 0.932 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001269198770 813260249 /nfs/dbraw/zinc/26/02/49/813260249.db2.gz AVCQTYYEBYDAFA-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001269198770 813260255 /nfs/dbraw/zinc/26/02/55/813260255.db2.gz AVCQTYYEBYDAFA-WCQYABFASA-N 1 2 292.383 0.253 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001269229158 813278268 /nfs/dbraw/zinc/27/82/68/813278268.db2.gz DWVMFLXXJRUYSF-NWDGAFQWSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001269229158 813278272 /nfs/dbraw/zinc/27/82/72/813278272.db2.gz DWVMFLXXJRUYSF-NWDGAFQWSA-N 1 2 297.399 0.029 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001269247868 813289087 /nfs/dbraw/zinc/28/90/87/813289087.db2.gz KMQNGLMXTBEBBR-CZUORRHYSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001269247868 813289091 /nfs/dbraw/zinc/28/90/91/813289091.db2.gz KMQNGLMXTBEBBR-CZUORRHYSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001269326196 813326473 /nfs/dbraw/zinc/32/64/73/813326473.db2.gz HFLFDBONRGXJSN-GXTWGEPZSA-N 1 2 274.368 0.422 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001269326196 813326478 /nfs/dbraw/zinc/32/64/78/813326478.db2.gz HFLFDBONRGXJSN-GXTWGEPZSA-N 1 2 274.368 0.422 20 30 CCEDLO CC[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1cnsn1 ZINC001269372542 813345595 /nfs/dbraw/zinc/34/55/95/813345595.db2.gz ZAKIMWKCXGHOAU-VIFPVBQESA-N 1 2 299.425 0.779 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CNC(=O)C(C)(C)C)C1 ZINC001269887125 813545517 /nfs/dbraw/zinc/54/55/17/813545517.db2.gz UCMQGDWPKSEVHU-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCNC(=O)c2ccco2)C1 ZINC001269886697 813546001 /nfs/dbraw/zinc/54/60/01/813546001.db2.gz LCWRBEBPCMIQGK-UHFFFAOYSA-N 1 2 291.351 0.728 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001038408978 813548141 /nfs/dbraw/zinc/54/81/41/813548141.db2.gz GCXCSZKYFVNRAU-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001038408978 813548142 /nfs/dbraw/zinc/54/81/42/813548142.db2.gz GCXCSZKYFVNRAU-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO CN(C)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270086897 813627911 /nfs/dbraw/zinc/62/79/11/813627911.db2.gz FFCPFVSSWAFLHC-UHFFFAOYSA-N 1 2 287.367 0.696 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001270628614 813854883 /nfs/dbraw/zinc/85/48/83/813854883.db2.gz HHYOKNWBRUBNLJ-ZDUSSCGKSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001270628614 813854890 /nfs/dbraw/zinc/85/48/90/813854890.db2.gz HHYOKNWBRUBNLJ-ZDUSSCGKSA-N 1 2 278.356 0.195 20 30 CCEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691945 813895400 /nfs/dbraw/zinc/89/54/00/813895400.db2.gz NKHRFYRFBAKCLT-NWDGAFQWSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001270691945 813895411 /nfs/dbraw/zinc/89/54/11/813895411.db2.gz NKHRFYRFBAKCLT-NWDGAFQWSA-N 1 2 293.371 0.590 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001270701519 813899106 /nfs/dbraw/zinc/89/91/06/813899106.db2.gz UYFXKOIYLJMVMG-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001270701519 813899116 /nfs/dbraw/zinc/89/91/16/813899116.db2.gz UYFXKOIYLJMVMG-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO C#CCCCCCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001271336122 814383777 /nfs/dbraw/zinc/38/37/77/814383777.db2.gz WXADSJTYNKOQMT-CYBMUJFWSA-N 1 2 282.384 0.114 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001271351400 814388240 /nfs/dbraw/zinc/38/82/40/814388240.db2.gz XGLYJOVYWAFGEI-JSGCOSHPSA-N 1 2 284.400 0.787 20 30 CCEDLO CN(CCN(C)c1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001105419218 814622001 /nfs/dbraw/zinc/62/20/01/814622001.db2.gz MJWKPLLPGOXOIR-UHFFFAOYSA-N 1 2 298.350 0.745 20 30 CCEDLO CC(C)C#CC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001271956336 814650011 /nfs/dbraw/zinc/65/00/11/814650011.db2.gz CJTNRIFXBKALBF-CQSZACIVSA-N 1 2 270.348 0.558 20 30 CCEDLO CC(C)C#CC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271956336 814650017 /nfs/dbraw/zinc/65/00/17/814650017.db2.gz CJTNRIFXBKALBF-CQSZACIVSA-N 1 2 270.348 0.558 20 30 CCEDLO N#CCN[C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404790 814674787 /nfs/dbraw/zinc/67/47/87/814674787.db2.gz GSPIYDBOLFPWCX-LBPRGKRZSA-N 1 2 275.356 0.837 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001059665641 814697962 /nfs/dbraw/zinc/69/79/62/814697962.db2.gz FIAYRWWCSGQPJI-BETUJISGSA-N 1 2 296.334 0.909 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001059665954 814698335 /nfs/dbraw/zinc/69/83/35/814698335.db2.gz XBGLNPRTEUDUEB-OKILXGFUSA-N 1 2 296.334 0.909 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001127039869 815589911 /nfs/dbraw/zinc/58/99/11/815589911.db2.gz SJBPWIQPDZSQKQ-LLVKDONJSA-N 1 2 265.313 0.227 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001030330051 815978499 /nfs/dbraw/zinc/97/84/99/815978499.db2.gz JRZGNZDWNJLITN-NSHDSACASA-N 1 2 260.341 0.347 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CN(CC#N)C2)[nH]n1 ZINC001030349560 815989116 /nfs/dbraw/zinc/98/91/16/815989116.db2.gz NRQOKSVLNYBCGA-CYBMUJFWSA-N 1 2 288.355 0.114 20 30 CCEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CN(CC#N)C2)[nH]n1 ZINC001030349560 815989120 /nfs/dbraw/zinc/98/91/20/815989120.db2.gz NRQOKSVLNYBCGA-CYBMUJFWSA-N 1 2 288.355 0.114 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001030349692 815989305 /nfs/dbraw/zinc/98/93/05/815989305.db2.gz QHSDEBHUFZEARF-AWEZNQCLSA-N 1 2 287.367 0.224 20 30 CCEDLO C#CCN1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001030349692 815989307 /nfs/dbraw/zinc/98/93/07/815989307.db2.gz QHSDEBHUFZEARF-AWEZNQCLSA-N 1 2 287.367 0.224 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001030530224 816088065 /nfs/dbraw/zinc/08/80/65/816088065.db2.gz LNGVIPGQWHVBLD-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(OC)c2)C1 ZINC001030593108 816131643 /nfs/dbraw/zinc/13/16/43/816131643.db2.gz YPNCEPLYFKBVMV-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106059106 816139019 /nfs/dbraw/zinc/13/90/19/816139019.db2.gz ZNSHRACYHPEIAD-CYBMUJFWSA-N 1 2 290.367 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001030679824 816208419 /nfs/dbraw/zinc/20/84/19/816208419.db2.gz ROBMMHANFMWJBL-UHFFFAOYSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(CC)nn2C)C1 ZINC001030713824 816245653 /nfs/dbraw/zinc/24/56/53/816245653.db2.gz OCRRXDVOHKLRLU-UHFFFAOYSA-N 1 2 274.368 0.349 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001030721603 816249388 /nfs/dbraw/zinc/24/93/88/816249388.db2.gz KTVGUTXPRQTDAT-GFCCVEGCSA-N 1 2 289.383 0.525 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cc1 ZINC001030777446 816283769 /nfs/dbraw/zinc/28/37/69/816283769.db2.gz YFKOFSVRKKHRTA-NSHDSACASA-N 1 2 258.321 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001077507915 816336445 /nfs/dbraw/zinc/33/64/45/816336445.db2.gz CUXRRLODPYHUEW-VXGBXAGGSA-N 1 2 292.404 0.820 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001077507915 816336453 /nfs/dbraw/zinc/33/64/53/816336453.db2.gz CUXRRLODPYHUEW-VXGBXAGGSA-N 1 2 292.404 0.820 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+]([C@H](C)COC)C2)c1 ZINC001030929812 816449576 /nfs/dbraw/zinc/44/95/76/816449576.db2.gz ZNDAIGITVPBNJQ-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3c2ncn3C)C1 ZINC001030932135 816454180 /nfs/dbraw/zinc/45/41/80/816454180.db2.gz PCLGGKZSBQUPHQ-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CCNCC#N)C1 ZINC001272504070 816517978 /nfs/dbraw/zinc/51/79/78/816517978.db2.gz XPIRXDJTZRZYHF-CYBMUJFWSA-N 1 2 289.383 0.704 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077524152 816553453 /nfs/dbraw/zinc/55/34/53/816553453.db2.gz ZUCGTNLBURXPRV-QMCVQRASSA-N 1 2 298.386 0.855 20 30 CCEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077524152 816553458 /nfs/dbraw/zinc/55/34/58/816553458.db2.gz ZUCGTNLBURXPRV-QMCVQRASSA-N 1 2 298.386 0.855 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272538597 816563141 /nfs/dbraw/zinc/56/31/41/816563141.db2.gz QYFSFUVIRAKYLK-AWEZNQCLSA-N 1 2 258.325 0.610 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272538597 816563143 /nfs/dbraw/zinc/56/31/43/816563143.db2.gz QYFSFUVIRAKYLK-AWEZNQCLSA-N 1 2 258.325 0.610 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001031038846 816595955 /nfs/dbraw/zinc/59/59/55/816595955.db2.gz SYNTWOJDWMGNMN-NEPJUHHUSA-N 1 2 279.384 0.655 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001031211132 816814866 /nfs/dbraw/zinc/81/48/66/816814866.db2.gz FLFSJXUZCJVWEF-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001031313388 816962974 /nfs/dbraw/zinc/96/29/74/816962974.db2.gz LFORMMXKMPKTJQ-UHFFFAOYSA-N 1 2 268.748 0.814 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001031318991 816974345 /nfs/dbraw/zinc/97/43/45/816974345.db2.gz DYKFGVBVPKFDJH-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001031400004 817032013 /nfs/dbraw/zinc/03/20/13/817032013.db2.gz OEJGBZVDVZKQLR-UHFFFAOYSA-N 1 2 294.786 0.977 20 30 CCEDLO N#CCN1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001031433102 817051312 /nfs/dbraw/zinc/05/13/12/817051312.db2.gz XFJIZMXUOSZNPF-UHFFFAOYSA-N 1 2 290.392 0.430 20 30 CCEDLO N#CCN1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001031433102 817051319 /nfs/dbraw/zinc/05/13/19/817051319.db2.gz XFJIZMXUOSZNPF-UHFFFAOYSA-N 1 2 290.392 0.430 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001031459292 817064074 /nfs/dbraw/zinc/06/40/74/817064074.db2.gz PFTAGGJPGRJLAE-UHFFFAOYSA-N 1 2 273.336 0.314 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@@H](O)C1 ZINC001083760733 817228336 /nfs/dbraw/zinc/22/83/36/817228336.db2.gz IFOZSPXLLQWOEZ-GUIRCDHDSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@@H](O)C1 ZINC001083760733 817228341 /nfs/dbraw/zinc/22/83/41/817228341.db2.gz IFOZSPXLLQWOEZ-GUIRCDHDSA-N 1 2 262.353 0.361 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031743554 817307795 /nfs/dbraw/zinc/30/77/95/817307795.db2.gz ZOKYYPFIRMTGQF-GHMZBOCLSA-N 1 2 259.313 0.085 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001031743554 817307798 /nfs/dbraw/zinc/30/77/98/817307798.db2.gz ZOKYYPFIRMTGQF-GHMZBOCLSA-N 1 2 259.313 0.085 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001127609272 817345014 /nfs/dbraw/zinc/34/50/14/817345014.db2.gz SQMJTBTZRXOEME-MNOVXSKESA-N 1 2 296.396 0.725 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001124767225 817569353 /nfs/dbraw/zinc/56/93/53/817569353.db2.gz ADXFYOVVVZQBOB-UHFFFAOYSA-N 1 2 268.317 0.040 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC)nn2)C1 ZINC001107114834 817760109 /nfs/dbraw/zinc/76/01/09/817760109.db2.gz LCIQRSMXLIHVAQ-UHFFFAOYSA-N 1 2 263.345 0.737 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=COCCO1 ZINC001032263732 817763617 /nfs/dbraw/zinc/76/36/17/817763617.db2.gz ZSJHBLGULMROMI-RYUDHWBXSA-N 1 2 262.309 0.183 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=COCCO1 ZINC001032263732 817763624 /nfs/dbraw/zinc/76/36/24/817763624.db2.gz ZSJHBLGULMROMI-RYUDHWBXSA-N 1 2 262.309 0.183 20 30 CCEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107142959 817793788 /nfs/dbraw/zinc/79/37/88/817793788.db2.gz XKAYPGNOWXHSHE-UHFFFAOYSA-N 1 2 275.356 0.903 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)/C(C)=C/C)nn2)C1 ZINC001107157535 817797702 /nfs/dbraw/zinc/79/77/02/817797702.db2.gz UDVZEBIZAPOSDV-LFYBBSHMSA-N 1 2 287.367 0.741 20 30 CCEDLO C=C(C)CCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107176837 817800156 /nfs/dbraw/zinc/80/01/56/817800156.db2.gz PNXKFOOTDISQPT-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)C(C)C)nn2)C1 ZINC001107194045 817805119 /nfs/dbraw/zinc/80/51/19/817805119.db2.gz NAYONZYSCBENCO-ZDUSSCGKSA-N 1 2 295.362 0.931 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C ZINC001032322996 817864283 /nfs/dbraw/zinc/86/42/83/817864283.db2.gz IICIROASEYFYKX-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C ZINC001032322996 817864293 /nfs/dbraw/zinc/86/42/93/817864293.db2.gz IICIROASEYFYKX-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001077655492 817939877 /nfs/dbraw/zinc/93/98/77/817939877.db2.gz RSJIUSZQYVUWKC-GHMZBOCLSA-N 1 2 298.293 0.146 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001077655492 817939883 /nfs/dbraw/zinc/93/98/83/817939883.db2.gz RSJIUSZQYVUWKC-GHMZBOCLSA-N 1 2 298.293 0.146 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719741 817964772 /nfs/dbraw/zinc/96/47/72/817964772.db2.gz HGFDTMUUSSHNGO-DZGCQCFKSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001107719741 817964779 /nfs/dbraw/zinc/96/47/79/817964779.db2.gz HGFDTMUUSSHNGO-DZGCQCFKSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCCC)C1 ZINC001107790550 818009739 /nfs/dbraw/zinc/00/97/39/818009739.db2.gz JBKXVWLOYYQWPU-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCCC)C1 ZINC001107790550 818009748 /nfs/dbraw/zinc/00/97/48/818009748.db2.gz JBKXVWLOYYQWPU-AWEZNQCLSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107791977 818010496 /nfs/dbraw/zinc/01/04/96/818010496.db2.gz FEDBIYJXYGCDRE-JSGCOSHPSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107791977 818010504 /nfs/dbraw/zinc/01/05/04/818010504.db2.gz FEDBIYJXYGCDRE-JSGCOSHPSA-N 1 2 268.357 0.416 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cncn1 ZINC001032365364 818013144 /nfs/dbraw/zinc/01/31/44/818013144.db2.gz VOIRIFCWPACXNJ-AGIUHOORSA-N 1 2 273.340 0.148 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cncn1 ZINC001032365364 818013151 /nfs/dbraw/zinc/01/31/51/818013151.db2.gz VOIRIFCWPACXNJ-AGIUHOORSA-N 1 2 273.340 0.148 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107797758 818014813 /nfs/dbraw/zinc/01/48/13/818014813.db2.gz FHIXFCHKNBIUIY-HNNXBMFYSA-N 1 2 290.367 0.264 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C)C1 ZINC001107797758 818014819 /nfs/dbraw/zinc/01/48/19/818014819.db2.gz FHIXFCHKNBIUIY-HNNXBMFYSA-N 1 2 290.367 0.264 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(OCC)n2)C1 ZINC001043229068 818061416 /nfs/dbraw/zinc/06/14/16/818061416.db2.gz UZXUIVRPTTZJCX-UHFFFAOYSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001083809271 818067176 /nfs/dbraw/zinc/06/71/76/818067176.db2.gz CYLJGBLEPZJGFX-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001083809271 818067184 /nfs/dbraw/zinc/06/71/84/818067184.db2.gz CYLJGBLEPZJGFX-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001032994103 818408497 /nfs/dbraw/zinc/40/84/97/818408497.db2.gz SRFKCYSVLSODRX-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001032994103 818408503 /nfs/dbraw/zinc/40/85/03/818408503.db2.gz SRFKCYSVLSODRX-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033038212 818450986 /nfs/dbraw/zinc/45/09/86/818450986.db2.gz OWWRFURQWADTIL-SNVBAGLBSA-N 1 2 299.758 0.877 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033038212 818450987 /nfs/dbraw/zinc/45/09/87/818450987.db2.gz OWWRFURQWADTIL-SNVBAGLBSA-N 1 2 299.758 0.877 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090130504 818690822 /nfs/dbraw/zinc/69/08/22/818690822.db2.gz XZQSKUNSMORMNS-NEPJUHHUSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090130504 818690827 /nfs/dbraw/zinc/69/08/27/818690827.db2.gz XZQSKUNSMORMNS-NEPJUHHUSA-N 1 2 299.758 0.521 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001034200337 819123559 /nfs/dbraw/zinc/12/35/59/819123559.db2.gz NXCJDGCPZFPWSL-GFCCVEGCSA-N 1 2 275.356 0.260 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001034200337 819123563 /nfs/dbraw/zinc/12/35/63/819123563.db2.gz NXCJDGCPZFPWSL-GFCCVEGCSA-N 1 2 275.356 0.260 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207660 819172203 /nfs/dbraw/zinc/17/22/03/819172203.db2.gz XJXXQUGJSYPZHY-CMPLNLGQSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 ZINC001090207660 819172208 /nfs/dbraw/zinc/17/22/08/819172208.db2.gz XJXXQUGJSYPZHY-CMPLNLGQSA-N 1 2 299.758 0.901 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](NCC#N)CC1 ZINC001034776616 819325743 /nfs/dbraw/zinc/32/57/43/819325743.db2.gz VCLYGTKOZBFATH-HAQNSBGRSA-N 1 2 275.356 0.503 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129122330 819420287 /nfs/dbraw/zinc/42/02/87/819420287.db2.gz KVNWQRBYNAOIRY-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129122330 819420293 /nfs/dbraw/zinc/42/02/93/819420293.db2.gz KVNWQRBYNAOIRY-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO N#CCN1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259095 819426769 /nfs/dbraw/zinc/42/67/69/819426769.db2.gz LIVQKUCQFKBDHX-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297597 819440036 /nfs/dbraw/zinc/44/00/36/819440036.db2.gz CFXMTQCGQUAFEX-LBPRGKRZSA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297597 819440043 /nfs/dbraw/zinc/44/00/43/819440043.db2.gz CFXMTQCGQUAFEX-LBPRGKRZSA-N 1 2 278.356 0.589 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001035285629 819448916 /nfs/dbraw/zinc/44/89/16/819448916.db2.gz CNFPQQHTNDKIID-NSHDSACASA-N 1 2 294.380 0.300 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001035285629 819448920 /nfs/dbraw/zinc/44/89/20/819448920.db2.gz CNFPQQHTNDKIID-NSHDSACASA-N 1 2 294.380 0.300 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035298946 819451406 /nfs/dbraw/zinc/45/14/06/819451406.db2.gz LVMSONSKCDXZBT-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035298946 819451410 /nfs/dbraw/zinc/45/14/10/819451410.db2.gz LVMSONSKCDXZBT-CYBMUJFWSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035307282 819458813 /nfs/dbraw/zinc/45/88/13/819458813.db2.gz OGIVXGCADACKDD-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035307282 819458818 /nfs/dbraw/zinc/45/88/18/819458818.db2.gz OGIVXGCADACKDD-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035312429 819462341 /nfs/dbraw/zinc/46/23/41/819462341.db2.gz JEPMTLHDJOLMIR-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035312429 819462349 /nfs/dbraw/zinc/46/23/49/819462349.db2.gz JEPMTLHDJOLMIR-KBPBESRZSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035329088 819474275 /nfs/dbraw/zinc/47/42/75/819474275.db2.gz YYZVSDUUUAEJFW-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035329088 819474280 /nfs/dbraw/zinc/47/42/80/819474280.db2.gz YYZVSDUUUAEJFW-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035366847 819488613 /nfs/dbraw/zinc/48/86/13/819488613.db2.gz HRVOQVBBFIWXKR-ZJUUUORDSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035366847 819488620 /nfs/dbraw/zinc/48/86/20/819488620.db2.gz HRVOQVBBFIWXKR-ZJUUUORDSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035366843 819489996 /nfs/dbraw/zinc/48/99/96/819489996.db2.gz HRVOQVBBFIWXKR-UWVGGRQHSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035366843 819489998 /nfs/dbraw/zinc/48/99/98/819489998.db2.gz HRVOQVBBFIWXKR-UWVGGRQHSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001035467308 819539427 /nfs/dbraw/zinc/53/94/27/819539427.db2.gz UFGYWIHGXAGCED-ZDUSSCGKSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001035467308 819539434 /nfs/dbraw/zinc/53/94/34/819539434.db2.gz UFGYWIHGXAGCED-ZDUSSCGKSA-N 1 2 292.383 0.654 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nccs2)C1 ZINC001035556536 819568782 /nfs/dbraw/zinc/56/87/82/819568782.db2.gz SOHIFIAFJDGHFA-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nccs2)C1 ZINC001035556536 819568788 /nfs/dbraw/zinc/56/87/88/819568788.db2.gz SOHIFIAFJDGHFA-NSHDSACASA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001035617152 819591007 /nfs/dbraw/zinc/59/10/07/819591007.db2.gz QMPKJMNKBIHDRX-ZIAGYGMSSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001035617152 819591010 /nfs/dbraw/zinc/59/10/10/819591010.db2.gz QMPKJMNKBIHDRX-ZIAGYGMSSA-N 1 2 295.383 0.000 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CN(CC#N)C2)CC1 ZINC001035843612 819636520 /nfs/dbraw/zinc/63/65/20/819636520.db2.gz UVUUCDGYNOSJFO-UHFFFAOYSA-N 1 2 287.367 0.709 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000710286321 819824578 /nfs/dbraw/zinc/82/45/78/819824578.db2.gz WNMGUNLNWRNRLJ-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CCCCS(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000710286321 819824586 /nfs/dbraw/zinc/82/45/86/819824586.db2.gz WNMGUNLNWRNRLJ-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001081446176 820774799 /nfs/dbraw/zinc/77/47/99/820774799.db2.gz REFPRCAIJOUHPR-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001081446176 820774804 /nfs/dbraw/zinc/77/48/04/820774804.db2.gz REFPRCAIJOUHPR-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@H](OC)C1 ZINC001081884680 820852092 /nfs/dbraw/zinc/85/20/92/820852092.db2.gz IPXWSCNYWXSTHP-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@H](OC)C1 ZINC001081884680 820852104 /nfs/dbraw/zinc/85/21/04/820852104.db2.gz IPXWSCNYWXSTHP-CHWSQXEVSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H](OC)C1 ZINC001081996737 820874235 /nfs/dbraw/zinc/87/42/35/820874235.db2.gz WLGZDGMTYUKPQH-TZMCWYRMSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H](OC)C1 ZINC001081996737 820874243 /nfs/dbraw/zinc/87/42/43/820874243.db2.gz WLGZDGMTYUKPQH-TZMCWYRMSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@H](OC)C1 ZINC001082308097 820933654 /nfs/dbraw/zinc/93/36/54/820933654.db2.gz XUHCWUQFDQYFTM-VXGBXAGGSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C(C)C)[C@H](OC)C1 ZINC001082308097 820933660 /nfs/dbraw/zinc/93/36/60/820933660.db2.gz XUHCWUQFDQYFTM-VXGBXAGGSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001082999162 821102866 /nfs/dbraw/zinc/10/28/66/821102866.db2.gz BDYAZDMPUVTVIT-QWHCGFSZSA-N 1 2 260.293 0.438 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001082999162 821102870 /nfs/dbraw/zinc/10/28/70/821102870.db2.gz BDYAZDMPUVTVIT-QWHCGFSZSA-N 1 2 260.293 0.438 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@H]2C1 ZINC001083035265 821120415 /nfs/dbraw/zinc/12/04/15/821120415.db2.gz KPPJNMUTHGVBAA-ZVDSWSACSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@H]2C1 ZINC001083035265 821120419 /nfs/dbraw/zinc/12/04/19/821120419.db2.gz KPPJNMUTHGVBAA-ZVDSWSACSA-N 1 2 288.391 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CCC3)[C@H]2C1 ZINC001083036968 821122691 /nfs/dbraw/zinc/12/26/91/821122691.db2.gz VDYRKHGMUWWAND-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CCC3)[C@H]2C1 ZINC001083036968 821122693 /nfs/dbraw/zinc/12/26/93/821122693.db2.gz VDYRKHGMUWWAND-UONOGXRCSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3cccc3)[C@H]2C1 ZINC001083052786 821129024 /nfs/dbraw/zinc/12/90/24/821129024.db2.gz BPORRFJWAVCTDZ-QLFBSQMISA-N 1 2 287.363 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3cccc3)[C@H]2C1 ZINC001083052786 821129031 /nfs/dbraw/zinc/12/90/31/821129031.db2.gz BPORRFJWAVCTDZ-QLFBSQMISA-N 1 2 287.363 0.594 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)CC)[C@H]2C1 ZINC001083165297 821151645 /nfs/dbraw/zinc/15/16/45/821151645.db2.gz SZTYFKDOBYGDSZ-SDDRHHMPSA-N 1 2 254.305 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)CC)[C@H]2C1 ZINC001083165297 821151651 /nfs/dbraw/zinc/15/16/51/821151651.db2.gz SZTYFKDOBYGDSZ-SDDRHHMPSA-N 1 2 254.305 0.279 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CCOC3)[C@H]2C1 ZINC001083175037 821156549 /nfs/dbraw/zinc/15/65/49/821156549.db2.gz IDLNFKULOTYAQV-GUTXKFCHSA-N 1 2 296.342 0.050 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CCOC3)[C@H]2C1 ZINC001083175037 821156554 /nfs/dbraw/zinc/15/65/54/821156554.db2.gz IDLNFKULOTYAQV-GUTXKFCHSA-N 1 2 296.342 0.050 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001083984329 821168457 /nfs/dbraw/zinc/16/84/57/821168457.db2.gz KWLKGZKJZPCSCK-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001083984329 821168460 /nfs/dbraw/zinc/16/84/60/821168460.db2.gz KWLKGZKJZPCSCK-OLZOCXBDSA-N 1 2 278.739 0.748 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000820491546 821443850 /nfs/dbraw/zinc/44/38/50/821443850.db2.gz CPQRXVCSYSMHER-AWEZNQCLSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000820491546 821443858 /nfs/dbraw/zinc/44/38/58/821443858.db2.gz CPQRXVCSYSMHER-AWEZNQCLSA-N 1 2 290.363 1.000 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795367 821449867 /nfs/dbraw/zinc/44/98/67/821449867.db2.gz LAHMBLBIRMYJJM-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795367 821449870 /nfs/dbraw/zinc/44/98/70/821449870.db2.gz LAHMBLBIRMYJJM-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196126 821565360 /nfs/dbraw/zinc/56/53/60/821565360.db2.gz SSAILMKSSFWAQS-CQSZACIVSA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196126 821565363 /nfs/dbraw/zinc/56/53/63/821565363.db2.gz SSAILMKSSFWAQS-CQSZACIVSA-N 1 2 296.346 0.946 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001098306370 821660931 /nfs/dbraw/zinc/66/09/31/821660931.db2.gz FEFVPFBEDSEDJC-SNVBAGLBSA-N 1 2 284.323 0.258 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001098306994 821668768 /nfs/dbraw/zinc/66/87/68/821668768.db2.gz RIPSFAGYFBKHND-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1C#N ZINC000828717639 821813110 /nfs/dbraw/zinc/81/31/10/821813110.db2.gz ZQCXLFYWENJASE-AWEZNQCLSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1C#N ZINC000828717639 821813119 /nfs/dbraw/zinc/81/31/19/821813119.db2.gz ZQCXLFYWENJASE-AWEZNQCLSA-N 1 2 273.336 0.615 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085714404 821913772 /nfs/dbraw/zinc/91/37/72/821913772.db2.gz IWAYXBLUZYBKCE-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085714404 821913781 /nfs/dbraw/zinc/91/37/81/821913781.db2.gz IWAYXBLUZYBKCE-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085738512 821926873 /nfs/dbraw/zinc/92/68/73/821926873.db2.gz OAPGQINQFXNMDY-ZQDZILKHSA-N 1 2 292.379 0.204 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085738512 821926879 /nfs/dbraw/zinc/92/68/79/821926879.db2.gz OAPGQINQFXNMDY-ZQDZILKHSA-N 1 2 292.379 0.204 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001085748081 821927880 /nfs/dbraw/zinc/92/78/80/821927880.db2.gz XFCPEBYYUHBCPU-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC001085748081 821927889 /nfs/dbraw/zinc/92/78/89/821927889.db2.gz XFCPEBYYUHBCPU-SNVBAGLBSA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cccnc12 ZINC001085757605 821936821 /nfs/dbraw/zinc/93/68/21/821936821.db2.gz MFCMLAYMJYNICX-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cccnc12 ZINC001085757605 821936824 /nfs/dbraw/zinc/93/68/24/821936824.db2.gz MFCMLAYMJYNICX-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825400 821969867 /nfs/dbraw/zinc/96/98/67/821969867.db2.gz JOMPUZISOUEIPK-JHJVBQTASA-N 1 2 287.367 0.580 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncn1 ZINC001085880005 821992142 /nfs/dbraw/zinc/99/21/42/821992142.db2.gz OYAHJOJSDFGEKB-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncn1 ZINC001085880005 821992150 /nfs/dbraw/zinc/99/21/50/821992150.db2.gz OYAHJOJSDFGEKB-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085902708 822006213 /nfs/dbraw/zinc/00/62/13/822006213.db2.gz KOAYPQABZHDLIT-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085902708 822006217 /nfs/dbraw/zinc/00/62/17/822006217.db2.gz KOAYPQABZHDLIT-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1COC ZINC001085920414 822014923 /nfs/dbraw/zinc/01/49/23/822014923.db2.gz ANSUJYXBMHSLFY-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1conc1COC ZINC001085920414 822014930 /nfs/dbraw/zinc/01/49/30/822014930.db2.gz ANSUJYXBMHSLFY-LBPRGKRZSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919433 822016070 /nfs/dbraw/zinc/01/60/70/822016070.db2.gz BHIQKZMESQSTMI-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919433 822016081 /nfs/dbraw/zinc/01/60/81/822016081.db2.gz BHIQKZMESQSTMI-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc2nccc(C)n2n1 ZINC001085958521 822039606 /nfs/dbraw/zinc/03/96/06/822039606.db2.gz DLOYVSCVVSOFDO-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc2nccc(C)n2n1 ZINC001085958521 822039612 /nfs/dbraw/zinc/03/96/12/822039612.db2.gz DLOYVSCVVSOFDO-LBPRGKRZSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn2cccnc12 ZINC001085979122 822049412 /nfs/dbraw/zinc/04/94/12/822049412.db2.gz KUKROHKFDDZKON-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn2cccnc12 ZINC001085979122 822049423 /nfs/dbraw/zinc/04/94/23/822049423.db2.gz KUKROHKFDDZKON-CYBMUJFWSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997496 822062119 /nfs/dbraw/zinc/06/21/19/822062119.db2.gz SXUJLIKGGRMUDS-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997496 822062128 /nfs/dbraw/zinc/06/21/28/822062128.db2.gz SXUJLIKGGRMUDS-AWEZNQCLSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncccn2)C1 ZINC001108294989 822330755 /nfs/dbraw/zinc/33/07/55/822330755.db2.gz ONYBOHGEOUEIFX-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncccn2)C1 ZINC001108294989 822330758 /nfs/dbraw/zinc/33/07/58/822330758.db2.gz ONYBOHGEOUEIFX-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc(F)cc1C#N ZINC001157769738 837412439 /nfs/dbraw/zinc/41/24/39/837412439.db2.gz AEXIWJCBCYOSCK-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc(F)cc1C#N ZINC001157769738 837412436 /nfs/dbraw/zinc/41/24/36/837412436.db2.gz AEXIWJCBCYOSCK-LLVKDONJSA-N 1 2 278.287 0.386 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090474417 837417707 /nfs/dbraw/zinc/41/77/07/837417707.db2.gz CRHASHUNHOWLLH-NEPJUHHUSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090474417 837417717 /nfs/dbraw/zinc/41/77/17/837417717.db2.gz CRHASHUNHOWLLH-NEPJUHHUSA-N 1 2 298.774 0.636 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114066803 837420481 /nfs/dbraw/zinc/42/04/81/837420481.db2.gz IMFFIXXHQVMQQS-OHBODLIOSA-N 1 2 260.297 0.381 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114066803 837420488 /nfs/dbraw/zinc/42/04/88/837420488.db2.gz IMFFIXXHQVMQQS-OHBODLIOSA-N 1 2 260.297 0.381 20 30 CCEDLO Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114066890 837420945 /nfs/dbraw/zinc/42/09/45/837420945.db2.gz JRARNRNEZGHKFH-GOONRYMUSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114066890 837420950 /nfs/dbraw/zinc/42/09/50/837420950.db2.gz JRARNRNEZGHKFH-GOONRYMUSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114064667 837425797 /nfs/dbraw/zinc/42/57/97/837425797.db2.gz UCPRHLZDAFXYQK-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114064667 837425804 /nfs/dbraw/zinc/42/58/04/837425804.db2.gz UCPRHLZDAFXYQK-BXSSEVMYSA-N 1 2 275.312 0.084 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114069758 837430147 /nfs/dbraw/zinc/43/01/47/837430147.db2.gz OEWNBFAAMLEQQE-OHBODLIOSA-N 1 2 276.365 0.849 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114069758 837430156 /nfs/dbraw/zinc/43/01/56/837430156.db2.gz OEWNBFAAMLEQQE-OHBODLIOSA-N 1 2 276.365 0.849 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253207 837487312 /nfs/dbraw/zinc/48/73/12/837487312.db2.gz JTAFBXIXVPMIHI-JYAVWHMHSA-N 1 2 286.335 0.338 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253207 837487319 /nfs/dbraw/zinc/48/73/19/837487319.db2.gz JTAFBXIXVPMIHI-JYAVWHMHSA-N 1 2 286.335 0.338 20 30 CCEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)C#CC1CC1 ZINC001108358684 835989049 /nfs/dbraw/zinc/98/90/49/835989049.db2.gz QPYHOYXCBZHAET-JTQLQIEISA-N 1 2 298.350 0.693 20 30 CCEDLO CN(C)S(=O)(=O)CCNc1ccc(CC#N)c[nH+]1 ZINC001168860117 836021760 /nfs/dbraw/zinc/02/17/60/836021760.db2.gz HPDBPCUKOGFHMQ-UHFFFAOYSA-N 1 2 268.342 0.451 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001108431077 836080186 /nfs/dbraw/zinc/08/01/86/836080186.db2.gz UITOVYGRGATXCF-NSHDSACASA-N 1 2 299.338 0.470 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108485543 836283984 /nfs/dbraw/zinc/28/39/84/836283984.db2.gz BCFSGDWXWIEPSC-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cccc(N2CCOCC2)n1 ZINC001156327621 836293218 /nfs/dbraw/zinc/29/32/18/836293218.db2.gz IGSAJJLGTAIOSK-LBPRGKRZSA-N 1 2 273.340 0.220 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)CC)CC2=O)C1 ZINC001108505936 836346922 /nfs/dbraw/zinc/34/69/22/836346922.db2.gz HRPJUMOTGWJMLG-RYUDHWBXSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3(CC)CC3)CC2=O)C1 ZINC001108572664 836472041 /nfs/dbraw/zinc/47/20/41/836472041.db2.gz XYJHEAUFEVSDLX-LBPRGKRZSA-N 1 2 291.395 0.764 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919884 836572878 /nfs/dbraw/zinc/57/28/78/836572878.db2.gz ANLAFTLGZDEKEO-UTLUCORTSA-N 1 2 286.763 0.129 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919884 836572887 /nfs/dbraw/zinc/57/28/87/836572887.db2.gz ANLAFTLGZDEKEO-UTLUCORTSA-N 1 2 286.763 0.129 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001112624207 836830469 /nfs/dbraw/zinc/83/04/69/836830469.db2.gz SGLRNVCNMYESHH-CQSZACIVSA-N 1 2 292.383 0.791 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC001112691980 836869736 /nfs/dbraw/zinc/86/97/36/836869736.db2.gz RBJXAICWEOVOKX-UHFFFAOYSA-N 1 2 265.313 0.635 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112842017 836939498 /nfs/dbraw/zinc/93/94/98/836939498.db2.gz VAZVMCBQSYBNCY-CQSZACIVSA-N 1 2 290.367 0.066 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1ccncc1C#N ZINC001113082338 837018296 /nfs/dbraw/zinc/01/82/96/837018296.db2.gz RADCEOXLGLBUSN-VXGBXAGGSA-N 1 2 298.350 0.577 20 30 CCEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113081846 837018446 /nfs/dbraw/zinc/01/84/46/837018446.db2.gz KDWLEPKTLWLJIN-WDEREUQCSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccnc(C#N)n1 ZINC001113154892 837039837 /nfs/dbraw/zinc/03/98/37/837039837.db2.gz JMCANJOFAGMIDY-UWVGGRQHSA-N 1 2 299.338 0.041 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1nccnc1C#N ZINC001113313962 837084478 /nfs/dbraw/zinc/08/44/78/837084478.db2.gz OUIBLOGDEIWSSQ-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ccncc1C#N ZINC001113315166 837086835 /nfs/dbraw/zinc/08/68/35/837086835.db2.gz YGLLKMCWOVPWJB-GHMZBOCLSA-N 1 2 298.350 0.646 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCn2cncn2)CC1 ZINC001113495776 837134338 /nfs/dbraw/zinc/13/43/38/837134338.db2.gz XLNUNHUYXFTRPO-UHFFFAOYSA-N 1 2 263.345 0.389 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC001113552767 837160683 /nfs/dbraw/zinc/16/06/83/837160683.db2.gz XUKUWJKZBPJUNX-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC001170357654 837308275 /nfs/dbraw/zinc/30/82/75/837308275.db2.gz DIOQFLOIKSRKBZ-SFYZADRCSA-N 1 2 289.382 0.375 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncccn2)cc1 ZINC001132215651 838339053 /nfs/dbraw/zinc/33/90/53/838339053.db2.gz DECXWQDMRWZOQX-UHFFFAOYSA-N 1 2 280.331 0.978 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217764 838341014 /nfs/dbraw/zinc/34/10/14/838341014.db2.gz GNVXOCVCWCYXEV-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132217764 838341016 /nfs/dbraw/zinc/34/10/16/838341016.db2.gz GNVXOCVCWCYXEV-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001132403840 838387215 /nfs/dbraw/zinc/38/72/15/838387215.db2.gz HPALPBHONTZDRR-UHFFFAOYSA-N 1 2 264.329 0.859 20 30 CCEDLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001132782125 838493680 /nfs/dbraw/zinc/49/36/80/838493680.db2.gz JTYYGPDOSUNLQT-CHWSQXEVSA-N 1 2 289.383 0.940 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(COC)no2)C1 ZINC001133569768 838668686 /nfs/dbraw/zinc/66/86/86/838668686.db2.gz BAGOBHDDPDZVQY-UHFFFAOYSA-N 1 2 294.355 0.778 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001134053404 838840079 /nfs/dbraw/zinc/84/00/79/838840079.db2.gz VYNYUZMPBYCSIL-FOGDFJRCSA-N 1 2 296.396 0.896 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001135147853 839168778 /nfs/dbraw/zinc/16/87/78/839168778.db2.gz QISGAXSERFAAER-AAEUAGOBSA-N 1 2 294.355 0.565 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c1 ZINC001090558762 839641968 /nfs/dbraw/zinc/64/19/68/839641968.db2.gz GKGWZKIQDRASOC-ZIAGYGMSSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c1 ZINC001090558762 839641975 /nfs/dbraw/zinc/64/19/75/839641975.db2.gz GKGWZKIQDRASOC-ZIAGYGMSSA-N 1 2 291.326 0.197 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCOC)C2 ZINC001273509825 844461238 /nfs/dbraw/zinc/46/12/38/844461238.db2.gz XTUHERROPRARHL-UHFFFAOYSA-N 1 2 254.330 0.122 20 30 CCEDLO COCC(COC)N1CC[NH+](CCOCCC#N)CC1 ZINC001171119085 839887441 /nfs/dbraw/zinc/88/74/41/839887441.db2.gz MVCPTRXUXOXFQQ-UHFFFAOYSA-N 1 2 285.388 0.196 20 30 CCEDLO C#CCOCCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001160673631 840119944 /nfs/dbraw/zinc/11/99/44/840119944.db2.gz MXQATSJXSHQNFF-UHFFFAOYSA-N 1 2 279.344 0.324 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(C)o2)cn1 ZINC001148383070 840798479 /nfs/dbraw/zinc/79/84/79/840798479.db2.gz QJXOTZBCWXSIPC-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO COCCCC[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273525739 844587879 /nfs/dbraw/zinc/58/78/79/844587879.db2.gz MNQFLGPBYSBVGI-UHFFFAOYSA-N 1 2 295.383 0.630 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H]1C#N ZINC001186986574 844623763 /nfs/dbraw/zinc/62/37/63/844623763.db2.gz DFUBIEUBSYGHCQ-IEBDPFPHSA-N 1 2 276.296 0.160 20 30 CCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H]1C#N ZINC001186986574 844623766 /nfs/dbraw/zinc/62/37/66/844623766.db2.gz DFUBIEUBSYGHCQ-IEBDPFPHSA-N 1 2 276.296 0.160 20 30 CCEDLO CC(C)C#CC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093594267 841360243 /nfs/dbraw/zinc/36/02/43/841360243.db2.gz ANHJRPWGKBWYFR-UHFFFAOYSA-N 1 2 286.339 0.551 20 30 CCEDLO Cn1ncc2c1nc[nH+]c2NCCNC(=O)C#CC1CC1 ZINC001093610126 841381552 /nfs/dbraw/zinc/38/15/52/841381552.db2.gz KVQLGIMICWCQRP-UHFFFAOYSA-N 1 2 284.323 0.305 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC001094271660 841577012 /nfs/dbraw/zinc/57/70/12/841577012.db2.gz ZKELIBCUBDGRDH-UHFFFAOYSA-N 1 2 299.338 0.041 20 30 CCEDLO Cc1cc(NCCCNC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001094471754 841641468 /nfs/dbraw/zinc/64/14/68/841641468.db2.gz OENAPTCYMQBYKW-UHFFFAOYSA-N 1 2 298.350 0.499 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3(C)CC3)CC2=O)C1 ZINC001094741081 841716561 /nfs/dbraw/zinc/71/65/61/841716561.db2.gz XQTYGBVIIXWKDF-NSHDSACASA-N 1 2 277.368 0.374 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C)CC2=O)C1 ZINC001094806075 841728806 /nfs/dbraw/zinc/72/88/06/841728806.db2.gz HEJNXVJPKIAVKF-LLVKDONJSA-N 1 2 279.384 0.620 20 30 CCEDLO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC001171640746 841748670 /nfs/dbraw/zinc/74/86/70/841748670.db2.gz DHVPYUBORMFATP-JTQLQIEISA-N 1 2 266.345 0.005 20 30 CCEDLO N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094973010 841982313 /nfs/dbraw/zinc/98/23/13/841982313.db2.gz HMEHSPNMSCNVOU-IHRRRGAJSA-N 1 2 287.367 0.766 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)n1 ZINC001176333865 842353246 /nfs/dbraw/zinc/35/32/46/842353246.db2.gz CNSMUYXYKKEXRB-GFCCVEGCSA-N 1 2 298.306 0.362 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)n1 ZINC001176333865 842353254 /nfs/dbraw/zinc/35/32/54/842353254.db2.gz CNSMUYXYKKEXRB-GFCCVEGCSA-N 1 2 298.306 0.362 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876307 842435523 /nfs/dbraw/zinc/43/55/23/842435523.db2.gz MOHUKUBDIBTOQJ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876307 842435528 /nfs/dbraw/zinc/43/55/28/842435528.db2.gz MOHUKUBDIBTOQJ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876483 842435994 /nfs/dbraw/zinc/43/59/94/842435994.db2.gz NVKOERMDIZELMF-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876483 842435999 /nfs/dbraw/zinc/43/59/99/842435999.db2.gz NVKOERMDIZELMF-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177163044 842514949 /nfs/dbraw/zinc/51/49/49/842514949.db2.gz QTGLLHZQYYHXRT-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177163044 842514955 /nfs/dbraw/zinc/51/49/55/842514955.db2.gz QTGLLHZQYYHXRT-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177414203 842585894 /nfs/dbraw/zinc/58/58/94/842585894.db2.gz WBVJOHDPEZNIBE-VIFPVBQESA-N 1 2 283.353 0.105 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)C#Cc1cccnc1 ZINC001177780938 842676637 /nfs/dbraw/zinc/67/66/37/842676637.db2.gz CJSBOAVABJIPKD-UHFFFAOYSA-N 1 2 284.319 0.592 20 30 CCEDLO N#Cc1cnc(CNC(=O)CCc2[nH]cc[nH+]2)s1 ZINC001178000291 842723109 /nfs/dbraw/zinc/72/31/09/842723109.db2.gz HPUUZXKSYMANKI-UHFFFAOYSA-N 1 2 261.310 0.987 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110222386 842887695 /nfs/dbraw/zinc/88/76/95/842887695.db2.gz MFZWYCNJFAEDBN-DBIOUOCHSA-N 1 2 299.321 0.111 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001110222386 842887700 /nfs/dbraw/zinc/88/77/00/842887700.db2.gz MFZWYCNJFAEDBN-DBIOUOCHSA-N 1 2 299.321 0.111 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001179896135 843071726 /nfs/dbraw/zinc/07/17/26/843071726.db2.gz QRQVPPLBEADCOZ-ZDUSSCGKSA-N 1 2 272.352 0.928 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N(O)C(=N)c2ccccc2N)C1 ZINC001180760935 843285540 /nfs/dbraw/zinc/28/55/40/843285540.db2.gz IGXFGQJRVABKIS-NSHDSACASA-N 1 2 278.312 0.143 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N(O)C(=N)c2ccccc2N)C1 ZINC001180760935 843285547 /nfs/dbraw/zinc/28/55/47/843285547.db2.gz IGXFGQJRVABKIS-NSHDSACASA-N 1 2 278.312 0.143 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])NC([O-])=Cc2cc[nH+]c(N)c2)cc1 ZINC001181279891 843442103 /nfs/dbraw/zinc/44/21/03/843442103.db2.gz OBIVASYKUXMOBP-UHFFFAOYSA-N 1 2 297.318 0.237 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110291861 843810499 /nfs/dbraw/zinc/81/04/99/843810499.db2.gz WAJJETZDNRGKMM-UPJWGTAASA-N 1 2 292.383 0.538 20 30 CCEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110291861 843810511 /nfs/dbraw/zinc/81/05/11/843810511.db2.gz WAJJETZDNRGKMM-UPJWGTAASA-N 1 2 292.383 0.538 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 ZINC001190742578 845486419 /nfs/dbraw/zinc/48/64/19/845486419.db2.gz YXLJTVVRNMHUSH-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 ZINC001190742578 845486423 /nfs/dbraw/zinc/48/64/23/845486423.db2.gz YXLJTVVRNMHUSH-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 ZINC001191149578 845596111 /nfs/dbraw/zinc/59/61/11/845596111.db2.gz ZFMGXTUMJMGHTK-VXGBXAGGSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 ZINC001191149578 845596122 /nfs/dbraw/zinc/59/61/22/845596122.db2.gz ZFMGXTUMJMGHTK-VXGBXAGGSA-N 1 2 270.398 0.313 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001191622860 845698183 /nfs/dbraw/zinc/69/81/83/845698183.db2.gz YRHBGPSKVWGOBP-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001191622860 845698190 /nfs/dbraw/zinc/69/81/90/845698190.db2.gz YRHBGPSKVWGOBP-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001191622860 845698196 /nfs/dbraw/zinc/69/81/96/845698196.db2.gz YRHBGPSKVWGOBP-CHWSQXEVSA-N 1 2 278.356 0.048 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191881157 845752998 /nfs/dbraw/zinc/75/29/98/845752998.db2.gz GYNUGDMXDCKXGF-KETIJMSOSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191881157 845753008 /nfs/dbraw/zinc/75/30/08/845753008.db2.gz GYNUGDMXDCKXGF-KETIJMSOSA-N 1 2 257.721 0.060 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001192504011 845858157 /nfs/dbraw/zinc/85/81/57/845858157.db2.gz TWEUUCZZGKCDSE-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001192504011 845858163 /nfs/dbraw/zinc/85/81/63/845858163.db2.gz TWEUUCZZGKCDSE-ZIAGYGMSSA-N 1 2 291.351 0.448 20 30 CCEDLO N#CCS(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001192995582 845950001 /nfs/dbraw/zinc/95/00/01/845950001.db2.gz IPITTZYXGHIKRW-UHFFFAOYSA-N 1 2 294.380 0.741 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193178877 846025193 /nfs/dbraw/zinc/02/51/93/846025193.db2.gz RJYMZDYHAPHRSY-NWDGAFQWSA-N 1 2 294.380 0.882 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273663476 846145670 /nfs/dbraw/zinc/14/56/70/846145670.db2.gz ZDJZRALFBUJAEL-GFCCVEGCSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001194258399 846254273 /nfs/dbraw/zinc/25/42/73/846254273.db2.gz IEVCGMLFESQDDZ-BZPMIXESSA-N 1 2 270.348 0.699 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001194258399 846254283 /nfs/dbraw/zinc/25/42/83/846254283.db2.gz IEVCGMLFESQDDZ-BZPMIXESSA-N 1 2 270.348 0.699 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCC)CC1 ZINC001194655485 846341889 /nfs/dbraw/zinc/34/18/89/846341889.db2.gz MJZPTWSCVNHQJU-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC)CC1 ZINC001194655485 846341902 /nfs/dbraw/zinc/34/19/02/846341902.db2.gz MJZPTWSCVNHQJU-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001194700056 846347525 /nfs/dbraw/zinc/34/75/25/846347525.db2.gz YOQJMCDZOIIUBN-CHWSQXEVSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001194700056 846347539 /nfs/dbraw/zinc/34/75/39/846347539.db2.gz YOQJMCDZOIIUBN-CHWSQXEVSA-N 1 2 279.384 0.479 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194733470 846363807 /nfs/dbraw/zinc/36/38/07/846363807.db2.gz RLSVPSKLMYKOHM-UHFFFAOYSA-N 1 2 270.398 0.534 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194733470 846363818 /nfs/dbraw/zinc/36/38/18/846363818.db2.gz RLSVPSKLMYKOHM-UHFFFAOYSA-N 1 2 270.398 0.534 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC001194776654 846379800 /nfs/dbraw/zinc/37/98/00/846379800.db2.gz APVFIVRFFSYYRG-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC001194776654 846379811 /nfs/dbraw/zinc/37/98/11/846379811.db2.gz APVFIVRFFSYYRG-UHFFFAOYSA-N 1 2 290.367 0.218 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001195491808 846551091 /nfs/dbraw/zinc/55/10/91/846551091.db2.gz DSADUMQGPFPJNT-IJLUTSLNSA-N 1 2 256.321 0.165 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001195491808 846551093 /nfs/dbraw/zinc/55/10/93/846551093.db2.gz DSADUMQGPFPJNT-IJLUTSLNSA-N 1 2 256.321 0.165 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001196716049 846791687 /nfs/dbraw/zinc/79/16/87/846791687.db2.gz CFRIWYQGIGEOTN-JHJVBQTASA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001196716049 846791696 /nfs/dbraw/zinc/79/16/96/846791696.db2.gz CFRIWYQGIGEOTN-JHJVBQTASA-N 1 2 266.385 0.853 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774478 846804174 /nfs/dbraw/zinc/80/41/74/846804174.db2.gz FJVQEZZOWQXKMC-LBPRGKRZSA-N 1 2 285.363 0.571 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774478 846804177 /nfs/dbraw/zinc/80/41/77/846804177.db2.gz FJVQEZZOWQXKMC-LBPRGKRZSA-N 1 2 285.363 0.571 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001199308547 847289114 /nfs/dbraw/zinc/28/91/14/847289114.db2.gz ZAUALKIEUZXEDS-YNEHKIRRSA-N 1 2 288.363 0.489 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001199308547 847289131 /nfs/dbraw/zinc/28/91/31/847289131.db2.gz ZAUALKIEUZXEDS-YNEHKIRRSA-N 1 2 288.363 0.489 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001251887681 847337772 /nfs/dbraw/zinc/33/77/72/847337772.db2.gz HFJPCRAMKIXAOH-SNVBAGLBSA-N 1 2 251.286 0.047 20 30 CCEDLO N#Cc1cnc(C(=O)Nc2cc[nH+]c3c2CCC3)cn1 ZINC001199661873 847387243 /nfs/dbraw/zinc/38/72/43/847387243.db2.gz LRTRJNAFGHTFPM-UHFFFAOYSA-N 1 2 265.276 0.906 20 30 CCEDLO N#Cc1coc(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001274349360 848455421 /nfs/dbraw/zinc/45/54/21/848455421.db2.gz GVLJDHXJDBDIAE-UHFFFAOYSA-N 1 2 297.318 0.832 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372069 848461986 /nfs/dbraw/zinc/46/19/86/848461986.db2.gz IVUARBYPNLJYRF-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372069 848461988 /nfs/dbraw/zinc/46/19/88/848461988.db2.gz IVUARBYPNLJYRF-HNNXBMFYSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372070 848462568 /nfs/dbraw/zinc/46/25/68/848462568.db2.gz IVUARBYPNLJYRF-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO C#CCN1C[C@]2(CC[N@H+](Cc3nc(C)co3)C2)OCC1=O ZINC001274372070 848462576 /nfs/dbraw/zinc/46/25/76/848462576.db2.gz IVUARBYPNLJYRF-OAHLLOKOSA-N 1 2 289.335 0.420 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)SC)C1 ZINC001276028647 848895959 /nfs/dbraw/zinc/89/59/59/848895959.db2.gz ZMUGZMQQXBQUHE-LLVKDONJSA-N 1 2 272.414 0.867 20 30 CCEDLO Cc1nc(N(C)CCCNC(=O)CSCC#N)cc[nH+]1 ZINC001095473009 848934487 /nfs/dbraw/zinc/93/44/87/848934487.db2.gz AEVAAXWHGBMPOG-UHFFFAOYSA-N 1 2 293.396 0.984 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001095617704 849000159 /nfs/dbraw/zinc/00/01/59/849000159.db2.gz PGLAPRZMPSUAPS-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn[nH]1)C2 ZINC001095672572 849007258 /nfs/dbraw/zinc/00/72/58/849007258.db2.gz OPTMIEKYQNCPCS-SCVCMEIPSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]n1)C2 ZINC001095672572 849007249 /nfs/dbraw/zinc/00/72/49/849007249.db2.gz OPTMIEKYQNCPCS-SCVCMEIPSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]n1)C2 ZINC001095672572 849007252 /nfs/dbraw/zinc/00/72/52/849007252.db2.gz OPTMIEKYQNCPCS-SCVCMEIPSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn[nH]1)C2 ZINC001095672572 849007265 /nfs/dbraw/zinc/00/72/65/849007265.db2.gz OPTMIEKYQNCPCS-SCVCMEIPSA-N 1 2 259.313 0.163 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001111340676 849175726 /nfs/dbraw/zinc/17/57/26/849175726.db2.gz FBBANVVSCZCUMQ-BNOWGMLFSA-N 1 2 287.367 0.598 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001015475102 849751255 /nfs/dbraw/zinc/75/12/55/849751255.db2.gz KFHFVBGKADYYRU-CQSZACIVSA-N 1 2 285.347 0.218 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001015475102 849751261 /nfs/dbraw/zinc/75/12/61/849751261.db2.gz KFHFVBGKADYYRU-CQSZACIVSA-N 1 2 285.347 0.218 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038290614 849839250 /nfs/dbraw/zinc/83/92/50/849839250.db2.gz WAFZPFUQWNPBNE-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038290614 849839254 /nfs/dbraw/zinc/83/92/54/849839254.db2.gz WAFZPFUQWNPBNE-NSHDSACASA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nnn1CC ZINC001038337436 849855348 /nfs/dbraw/zinc/85/53/48/849855348.db2.gz FPDTUNSBBATNSM-GFCCVEGCSA-N 1 2 275.356 0.434 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nnn1CC ZINC001038337436 849855349 /nfs/dbraw/zinc/85/53/49/849855349.db2.gz FPDTUNSBBATNSM-GFCCVEGCSA-N 1 2 275.356 0.434 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001038345180 849859855 /nfs/dbraw/zinc/85/98/55/849859855.db2.gz JYBKBKRSUSLCTH-LLVKDONJSA-N 1 2 299.330 0.569 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001038345180 849859860 /nfs/dbraw/zinc/85/98/60/849859860.db2.gz JYBKBKRSUSLCTH-LLVKDONJSA-N 1 2 299.330 0.569 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ncccc12 ZINC001038348609 849860804 /nfs/dbraw/zinc/86/08/04/849860804.db2.gz FVVULJWPDXCAFE-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ncccc12 ZINC001038348609 849860812 /nfs/dbraw/zinc/86/08/12/849860812.db2.gz FVVULJWPDXCAFE-LLVKDONJSA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038362954 849863620 /nfs/dbraw/zinc/86/36/20/849863620.db2.gz KHFOVCRXSUKPJJ-LBPRGKRZSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001038362954 849863623 /nfs/dbraw/zinc/86/36/23/849863623.db2.gz KHFOVCRXSUKPJJ-LBPRGKRZSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001038388216 849876752 /nfs/dbraw/zinc/87/67/52/849876752.db2.gz YITPCCHHBRWAMR-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001038388216 849876759 /nfs/dbraw/zinc/87/67/59/849876759.db2.gz YITPCCHHBRWAMR-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038431331 849896064 /nfs/dbraw/zinc/89/60/64/849896064.db2.gz BWHOIQDPOSSYRL-SNVBAGLBSA-N 1 2 285.307 0.101 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038431331 849896073 /nfs/dbraw/zinc/89/60/73/849896073.db2.gz BWHOIQDPOSSYRL-SNVBAGLBSA-N 1 2 285.307 0.101 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038494440 849921436 /nfs/dbraw/zinc/92/14/36/849921436.db2.gz WNTSSVJFULZIMC-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038494440 849921442 /nfs/dbraw/zinc/92/14/42/849921442.db2.gz WNTSSVJFULZIMC-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001038529652 849931934 /nfs/dbraw/zinc/93/19/34/849931934.db2.gz XSBPSBPSQLIMFM-XQQFMLRXSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001038529652 849931946 /nfs/dbraw/zinc/93/19/46/849931946.db2.gz XSBPSBPSQLIMFM-XQQFMLRXSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038579153 849950328 /nfs/dbraw/zinc/95/03/28/849950328.db2.gz ARGWACBQMQLIDG-GFCCVEGCSA-N 1 2 284.319 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038579153 849950336 /nfs/dbraw/zinc/95/03/36/849950336.db2.gz ARGWACBQMQLIDG-GFCCVEGCSA-N 1 2 284.319 0.969 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC ZINC001038655833 849970240 /nfs/dbraw/zinc/97/02/40/849970240.db2.gz CPSVDNFVFBZBJH-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC ZINC001038655833 849970250 /nfs/dbraw/zinc/97/02/50/849970250.db2.gz CPSVDNFVFBZBJH-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756439 850006214 /nfs/dbraw/zinc/00/62/14/850006214.db2.gz DHRFYSIOUKTXDB-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756439 850006221 /nfs/dbraw/zinc/00/62/21/850006221.db2.gz DHRFYSIOUKTXDB-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038767770 850008766 /nfs/dbraw/zinc/00/87/66/850008766.db2.gz NBAKOKQJOADQMS-ZDUSSCGKSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038767770 850008776 /nfs/dbraw/zinc/00/87/76/850008776.db2.gz NBAKOKQJOADQMS-ZDUSSCGKSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001038811575 850023249 /nfs/dbraw/zinc/02/32/49/850023249.db2.gz OHVGDXDEGGLGTJ-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001038811575 850023252 /nfs/dbraw/zinc/02/32/52/850023252.db2.gz OHVGDXDEGGLGTJ-LBPRGKRZSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001038900557 850074713 /nfs/dbraw/zinc/07/47/13/850074713.db2.gz WJIJPMRBQGZJMN-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001038900557 850074720 /nfs/dbraw/zinc/07/47/20/850074720.db2.gz WJIJPMRBQGZJMN-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1OCC ZINC001038975932 850107012 /nfs/dbraw/zinc/10/70/12/850107012.db2.gz KKZMATZFRXQAPO-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1OCC ZINC001038975932 850107022 /nfs/dbraw/zinc/10/70/22/850107022.db2.gz KKZMATZFRXQAPO-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084133 850153199 /nfs/dbraw/zinc/15/31/99/850153199.db2.gz JSXCKPWUDHYPHB-LBPRGKRZSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084133 850153202 /nfs/dbraw/zinc/15/32/02/850153202.db2.gz JSXCKPWUDHYPHB-LBPRGKRZSA-N 1 2 260.341 0.420 20 30 CCEDLO N#CCN1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552524 850301002 /nfs/dbraw/zinc/30/10/02/850301002.db2.gz KVTLTQILDSGHJU-OAHLLOKOSA-N 1 2 287.367 0.721 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnnn2CC)C1 ZINC001042685877 850734701 /nfs/dbraw/zinc/73/47/01/850734701.db2.gz ALSAJHDAMNMKIR-UHFFFAOYSA-N 1 2 263.345 0.630 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001042758594 850753039 /nfs/dbraw/zinc/75/30/39/850753039.db2.gz MFVQJODSVAJIRZ-UHFFFAOYSA-N 1 2 290.371 0.208 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(F)CCOCC2)C1 ZINC001042867081 850770129 /nfs/dbraw/zinc/77/01/29/850770129.db2.gz CTKQATQREVPTKS-UHFFFAOYSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n2CCC3)C1 ZINC001042959265 850787850 /nfs/dbraw/zinc/78/78/50/850787850.db2.gz MWSLKTGZMLNPFE-UHFFFAOYSA-N 1 2 272.352 0.609 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001043304331 850851786 /nfs/dbraw/zinc/85/17/86/850851786.db2.gz UZTHEFAJGBUEQR-UHFFFAOYSA-N 1 2 286.339 0.685 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(CC)nn2C)C1 ZINC001043417604 850870603 /nfs/dbraw/zinc/87/06/03/850870603.db2.gz LFVJAIIGSGSZJZ-UHFFFAOYSA-N 1 2 276.384 0.854 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001043987816 850979204 /nfs/dbraw/zinc/97/92/04/850979204.db2.gz MRRWZSMGVRQAOZ-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2Cl)C1 ZINC001044172362 851033389 /nfs/dbraw/zinc/03/33/89/851033389.db2.gz QHNJFRSKPDRBDL-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](C)OC)C2)cn1 ZINC001044205836 851041452 /nfs/dbraw/zinc/04/14/52/851041452.db2.gz KPSXUZILJSIIRE-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001044348031 851083101 /nfs/dbraw/zinc/08/31/01/851083101.db2.gz SSDGAFNJNCAQPX-UHFFFAOYSA-N 1 2 286.379 0.927 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046233059 851432226 /nfs/dbraw/zinc/43/22/26/851432226.db2.gz ANNHPZMUMKWFQZ-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046233059 851432234 /nfs/dbraw/zinc/43/22/34/851432234.db2.gz ANNHPZMUMKWFQZ-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ncccc2O)C1 ZINC001046262352 851442949 /nfs/dbraw/zinc/44/29/49/851442949.db2.gz PNADXZMHVUQOBM-AWEZNQCLSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ncccc2O)C1 ZINC001046262352 851442955 /nfs/dbraw/zinc/44/29/55/851442955.db2.gz PNADXZMHVUQOBM-AWEZNQCLSA-N 1 2 259.309 0.615 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046360261 851475022 /nfs/dbraw/zinc/47/50/22/851475022.db2.gz QFPCIQFRMICELZ-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046360261 851475023 /nfs/dbraw/zinc/47/50/23/851475023.db2.gz QFPCIQFRMICELZ-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001047389806 851747939 /nfs/dbraw/zinc/74/79/39/851747939.db2.gz NJRBCEUBVHLNMI-KBPBESRZSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001047389806 851747948 /nfs/dbraw/zinc/74/79/48/851747948.db2.gz NJRBCEUBVHLNMI-KBPBESRZSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001047582846 851826069 /nfs/dbraw/zinc/82/60/69/851826069.db2.gz IOZLLXHMFKRFIX-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001047582846 851826075 /nfs/dbraw/zinc/82/60/75/851826075.db2.gz IOZLLXHMFKRFIX-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001047633941 851839877 /nfs/dbraw/zinc/83/98/77/851839877.db2.gz SKLSSJNHDBPDOE-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001047633941 851839884 /nfs/dbraw/zinc/83/98/84/851839884.db2.gz SKLSSJNHDBPDOE-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]2C1 ZINC001048973218 852123380 /nfs/dbraw/zinc/12/33/80/852123380.db2.gz IGMGJCXCIKGVCQ-PHIMTYICSA-N 1 2 295.774 0.869 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]2C1 ZINC001048973218 852123387 /nfs/dbraw/zinc/12/33/87/852123387.db2.gz IGMGJCXCIKGVCQ-PHIMTYICSA-N 1 2 295.774 0.869 20 30 CCEDLO Cc1nc(N(C)C)nc(N[C@@H](C)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001097740978 852598536 /nfs/dbraw/zinc/59/85/36/852598536.db2.gz PWGQNNOLIYJBSY-BDAKNGLRSA-N 1 2 291.359 0.322 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nonc1C)CCO2 ZINC001053550894 852755979 /nfs/dbraw/zinc/75/59/79/852755979.db2.gz DRJXWOBPYBIPJQ-UHFFFAOYSA-N 1 2 292.339 0.481 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1OCC[C@H]1C)O2 ZINC001053661611 852774228 /nfs/dbraw/zinc/77/42/28/852774228.db2.gz YLJQWZAYAUWKTP-MCIONIFRSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCO1)CO2 ZINC001053729925 852792746 /nfs/dbraw/zinc/79/27/46/852792746.db2.gz VVKDAZRDGZDJHI-OLZOCXBDSA-N 1 2 280.368 0.701 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn[nH]1)CO2 ZINC001053744464 852799567 /nfs/dbraw/zinc/79/95/67/852799567.db2.gz ODPSDYKPPGJBGV-NSHDSACASA-N 1 2 274.324 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)CO2 ZINC001053793137 852823109 /nfs/dbraw/zinc/82/31/09/852823109.db2.gz IZIZXMVEDNZDDR-WOPDTQHZSA-N 1 2 298.333 0.870 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)c[nH]1)CO2 ZINC001053873865 852835934 /nfs/dbraw/zinc/83/59/34/852835934.db2.gz LKHXZQNFCPHVQY-LBPRGKRZSA-N 1 2 291.326 0.750 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCOC1)CO2 ZINC001053967273 852859021 /nfs/dbraw/zinc/85/90/21/852859021.db2.gz UXNXHHZWUMHPLL-UKRRQHHQSA-N 1 2 294.395 0.949 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(C)n1)CO2 ZINC001054009552 852868851 /nfs/dbraw/zinc/86/88/51/852868851.db2.gz ZMHJROXSDYBYOY-GFCCVEGCSA-N 1 2 288.351 0.017 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001098007476 853123918 /nfs/dbraw/zinc/12/39/18/853123918.db2.gz ZUAFMWQPGYMWEG-SNVBAGLBSA-N 1 2 284.323 0.258 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050804696 853440484 /nfs/dbraw/zinc/44/04/84/853440484.db2.gz BDHHXSSORQXYGJ-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050804696 853440491 /nfs/dbraw/zinc/44/04/91/853440491.db2.gz BDHHXSSORQXYGJ-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)COC)C2)CC1 ZINC001051956843 853662134 /nfs/dbraw/zinc/66/21/34/853662134.db2.gz VQRASSPWIDMQMG-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(F)F)C2)CC1 ZINC001051962664 853663827 /nfs/dbraw/zinc/66/38/27/853663827.db2.gz GOKDBHLMTQWCIP-NSHDSACASA-N 1 2 271.311 0.103 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccn3)C2)CC1 ZINC001051968253 853666153 /nfs/dbraw/zinc/66/61/53/853666153.db2.gz ATQHQLMMIICFTF-HNNXBMFYSA-N 1 2 298.390 0.547 20 30 CCEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051970141 853668143 /nfs/dbraw/zinc/66/81/43/853668143.db2.gz YBHSYKSCZNMRCN-CQSZACIVSA-N 1 2 295.402 0.976 20 30 CCEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981513 853669165 /nfs/dbraw/zinc/66/91/65/853669165.db2.gz RFDSQHVZOWTPEY-OAHLLOKOSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981513 853669170 /nfs/dbraw/zinc/66/91/70/853669170.db2.gz RFDSQHVZOWTPEY-OAHLLOKOSA-N 1 2 287.363 0.745 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001052009220 853675465 /nfs/dbraw/zinc/67/54/65/853675465.db2.gz LKPDPDNTLCCTHL-GPANFISMSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052067470 853681527 /nfs/dbraw/zinc/68/15/27/853681527.db2.gz KJONQECPFWKIFN-JYJNAYRXSA-N 1 2 289.423 0.884 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001071911790 854317770 /nfs/dbraw/zinc/31/77/70/854317770.db2.gz RGGMSPDKTWIHBI-WDEREUQCSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001071911790 854317775 /nfs/dbraw/zinc/31/77/75/854317775.db2.gz RGGMSPDKTWIHBI-WDEREUQCSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cncn2)CC[C@H]1C ZINC001072053880 854341629 /nfs/dbraw/zinc/34/16/29/854341629.db2.gz VWAFTRDTUZUSLM-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cncn2)CC[C@H]1C ZINC001072053880 854341632 /nfs/dbraw/zinc/34/16/32/854341632.db2.gz VWAFTRDTUZUSLM-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074170261 854685369 /nfs/dbraw/zinc/68/53/69/854685369.db2.gz LFAAUACCQBVKOA-CABCVRRESA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074170261 854685370 /nfs/dbraw/zinc/68/53/70/854685370.db2.gz LFAAUACCQBVKOA-CABCVRRESA-N 1 2 287.363 0.953 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 ZINC001074181687 854690867 /nfs/dbraw/zinc/69/08/67/854690867.db2.gz YKMGVBHNCOZAEI-UONOGXRCSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 ZINC001074181687 854690872 /nfs/dbraw/zinc/69/08/72/854690872.db2.gz YKMGVBHNCOZAEI-UONOGXRCSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001074181687 854690874 /nfs/dbraw/zinc/69/08/74/854690874.db2.gz YKMGVBHNCOZAEI-UONOGXRCSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001074181687 854690879 /nfs/dbraw/zinc/69/08/79/854690879.db2.gz YKMGVBHNCOZAEI-UONOGXRCSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001074360630 854714689 /nfs/dbraw/zinc/71/46/89/854714689.db2.gz OSIBPXCZSFABNO-NWDGAFQWSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001074360630 854714693 /nfs/dbraw/zinc/71/46/93/854714693.db2.gz OSIBPXCZSFABNO-NWDGAFQWSA-N 1 2 291.355 0.296 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C=C3CCC3)C2)nn1 ZINC001098653565 854873775 /nfs/dbraw/zinc/87/37/75/854873775.db2.gz VHISRBBAMROLFJ-HNNXBMFYSA-N 1 2 299.378 0.885 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1cnc(C#N)cn1 ZINC001099712787 854975436 /nfs/dbraw/zinc/97/54/36/854975436.db2.gz GHHLXYMHCVFQMB-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001100380475 855157757 /nfs/dbraw/zinc/15/77/57/855157757.db2.gz NWXAPFFSVFKOED-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ncccc1C#N ZINC001100380475 855157761 /nfs/dbraw/zinc/15/77/61/855157761.db2.gz NWXAPFFSVFKOED-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001100735624 855215793 /nfs/dbraw/zinc/21/57/93/855215793.db2.gz QGJHOQQUYMQKOV-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567816 855317893 /nfs/dbraw/zinc/31/78/93/855317893.db2.gz XMTNEOQWXCLRSN-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567340 855318139 /nfs/dbraw/zinc/31/81/39/855318139.db2.gz HGXXEDCPCFDRCS-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728750 855356775 /nfs/dbraw/zinc/35/67/75/855356775.db2.gz KPRLIKJQSGNWOQ-UHFFFAOYSA-N 1 2 284.323 0.211 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001103334751 855512028 /nfs/dbraw/zinc/51/20/28/855512028.db2.gz MCVZYRFUSVAJQO-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)nn1 ZINC001104001834 855560166 /nfs/dbraw/zinc/56/01/66/855560166.db2.gz DUXMHKUAUSDPKU-NSHDSACASA-N 1 2 299.338 0.409 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001119600379 856771332 /nfs/dbraw/zinc/77/13/32/856771332.db2.gz HBMSFCSBEMCGFH-CHWSQXEVSA-N 1 2 287.363 0.900 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001323245326 912218736 /nfs/dbraw/zinc/21/87/36/912218736.db2.gz ZHQHWGUNWDUWOC-STQMWFEESA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001323245326 912218755 /nfs/dbraw/zinc/21/87/55/912218755.db2.gz ZHQHWGUNWDUWOC-STQMWFEESA-N 1 2 279.384 0.812 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COCCCOC ZINC001323337123 912281506 /nfs/dbraw/zinc/28/15/06/912281506.db2.gz UXIPGNNOFAAXIN-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCCCOC ZINC001323337123 912281520 /nfs/dbraw/zinc/28/15/20/912281520.db2.gz UXIPGNNOFAAXIN-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCOCCC(=O)NCC1([NH2+]Cc2cc(C)on2)CC1 ZINC001323445365 912352156 /nfs/dbraw/zinc/35/21/56/912352156.db2.gz ZKRVIKJWAUYKFH-UHFFFAOYSA-N 1 2 291.351 0.761 20 30 CCEDLO CC(C)OCC[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001323897532 912571383 /nfs/dbraw/zinc/57/13/83/912571383.db2.gz BDHJDBKUYFZYDM-NSHDSACASA-N 1 2 253.346 0.714 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC001393597604 912673063 /nfs/dbraw/zinc/67/30/63/912673063.db2.gz HGVHISYELVVMET-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC001393597604 912673076 /nfs/dbraw/zinc/67/30/76/912673076.db2.gz HGVHISYELVVMET-VXGBXAGGSA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)C(F)F)CC1 ZINC001393838260 912787041 /nfs/dbraw/zinc/78/70/41/912787041.db2.gz QOQFKKGCNIDINL-UHFFFAOYSA-N 1 2 282.718 0.947 20 30 CCEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC001324747135 913014758 /nfs/dbraw/zinc/01/47/58/913014758.db2.gz YGPFDOXGVOJSDQ-QLFBSQMISA-N 1 2 295.383 0.776 20 30 CCEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC001324747135 913014778 /nfs/dbraw/zinc/01/47/78/913014778.db2.gz YGPFDOXGVOJSDQ-QLFBSQMISA-N 1 2 295.383 0.776 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(C#N)cn1 ZINC001324754408 913021085 /nfs/dbraw/zinc/02/10/85/913021085.db2.gz ITHGYIISRPFERA-UHFFFAOYSA-N 1 2 269.308 0.936 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222430 913286419 /nfs/dbraw/zinc/28/64/19/913286419.db2.gz HIRWNLSNCMTITN-WDEREUQCSA-N 1 2 292.387 0.858 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222430 913286432 /nfs/dbraw/zinc/28/64/32/913286432.db2.gz HIRWNLSNCMTITN-WDEREUQCSA-N 1 2 292.387 0.858 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccnn2CCC)C1 ZINC001325217912 913287864 /nfs/dbraw/zinc/28/78/64/913287864.db2.gz UQZXEKTYBGECEF-UHFFFAOYSA-N 1 2 290.367 0.093 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001325273542 913313040 /nfs/dbraw/zinc/31/30/40/913313040.db2.gz KQEULQHFAURTQQ-OCCSQVGLSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(Cl)CN[C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001394617315 913315650 /nfs/dbraw/zinc/31/56/50/913315650.db2.gz LBLPIRCUBSKTMM-LLVKDONJSA-N 1 2 286.763 0.011 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N ZINC001395131254 913559027 /nfs/dbraw/zinc/55/90/27/913559027.db2.gz FUBFKSLTJASDIT-NXEZZACHSA-N 1 2 291.355 0.383 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001480883725 891549110 /nfs/dbraw/zinc/54/91/10/891549110.db2.gz LQUFLTFNBBNTKO-MCIONIFRSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001480883725 891549121 /nfs/dbraw/zinc/54/91/21/891549121.db2.gz LQUFLTFNBBNTKO-MCIONIFRSA-N 1 2 291.395 0.220 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nnn(C)n1 ZINC001480993603 892030323 /nfs/dbraw/zinc/03/03/23/892030323.db2.gz GIXXRNRAAYAGBY-UHFFFAOYSA-N 1 2 272.740 0.014 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nnn(C)n1 ZINC001480993603 892030342 /nfs/dbraw/zinc/03/03/42/892030342.db2.gz GIXXRNRAAYAGBY-UHFFFAOYSA-N 1 2 272.740 0.014 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481093293 892157217 /nfs/dbraw/zinc/15/72/17/892157217.db2.gz WWHSNZUUQNVJBJ-RYUDHWBXSA-N 1 2 292.339 0.046 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481093293 892157228 /nfs/dbraw/zinc/15/72/28/892157228.db2.gz WWHSNZUUQNVJBJ-RYUDHWBXSA-N 1 2 292.339 0.046 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001481113340 892178445 /nfs/dbraw/zinc/17/84/45/892178445.db2.gz YOPVREAUOUDXCW-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001481113340 892178459 /nfs/dbraw/zinc/17/84/59/892178459.db2.gz YOPVREAUOUDXCW-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001481113340 892178470 /nfs/dbraw/zinc/17/84/70/892178470.db2.gz YOPVREAUOUDXCW-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001481113340 892178480 /nfs/dbraw/zinc/17/84/80/892178480.db2.gz YOPVREAUOUDXCW-NSHDSACASA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001481113338 892178683 /nfs/dbraw/zinc/17/86/83/892178683.db2.gz YOPVREAUOUDXCW-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001481113338 892178690 /nfs/dbraw/zinc/17/86/90/892178690.db2.gz YOPVREAUOUDXCW-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001481113338 892178698 /nfs/dbraw/zinc/17/86/98/892178698.db2.gz YOPVREAUOUDXCW-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001481113338 892178707 /nfs/dbraw/zinc/17/87/07/892178707.db2.gz YOPVREAUOUDXCW-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCC(F)F)CC1 ZINC001481471294 892715492 /nfs/dbraw/zinc/71/54/92/892715492.db2.gz UXKVKHMNJDGCRS-UHFFFAOYSA-N 1 2 287.354 0.741 20 30 CCEDLO CC1(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001481536105 892785165 /nfs/dbraw/zinc/78/51/65/892785165.db2.gz GLBUICZSTNYEOL-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001481536105 892785170 /nfs/dbraw/zinc/78/51/70/892785170.db2.gz GLBUICZSTNYEOL-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCn1cc(C(=O)NC2C[NH+](CCC[C@@H](C)O)C2)nn1 ZINC001481587725 892870473 /nfs/dbraw/zinc/87/04/73/892870473.db2.gz YGPTXIHQWXEKFG-LLVKDONJSA-N 1 2 293.371 0.039 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)SC)C1 ZINC001481614358 892902854 /nfs/dbraw/zinc/90/28/54/892902854.db2.gz DQLKMLJMUUNMQZ-SNVBAGLBSA-N 1 2 285.413 0.088 20 30 CCEDLO C=CCC1(C(=O)NCC2C[NH+](CC(=O)NC)C2)CCC1 ZINC001481643595 892955183 /nfs/dbraw/zinc/95/51/83/892955183.db2.gz FSYLNNQVIFXVSO-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC ZINC001481665345 892980645 /nfs/dbraw/zinc/98/06/45/892980645.db2.gz JDPTZAIMNXGVRB-WOPDTQHZSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC ZINC001481665345 892980649 /nfs/dbraw/zinc/98/06/49/892980649.db2.gz JDPTZAIMNXGVRB-WOPDTQHZSA-N 1 2 265.357 0.372 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001481692722 893021590 /nfs/dbraw/zinc/02/15/90/893021590.db2.gz LXDZCUWNZNXRFY-LBPRGKRZSA-N 1 2 290.367 0.173 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001481692722 893021608 /nfs/dbraw/zinc/02/16/08/893021608.db2.gz LXDZCUWNZNXRFY-LBPRGKRZSA-N 1 2 290.367 0.173 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001481719152 893084558 /nfs/dbraw/zinc/08/45/58/893084558.db2.gz GDAJNJKINVTATE-QWHCGFSZSA-N 1 2 294.399 0.451 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001481719152 893084581 /nfs/dbraw/zinc/08/45/81/893084581.db2.gz GDAJNJKINVTATE-QWHCGFSZSA-N 1 2 294.399 0.451 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001481724861 893099953 /nfs/dbraw/zinc/09/99/53/893099953.db2.gz SGZNJUMOUXLCTN-CQSZACIVSA-N 1 2 291.395 0.481 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001481724861 893099973 /nfs/dbraw/zinc/09/99/73/893099973.db2.gz SGZNJUMOUXLCTN-CQSZACIVSA-N 1 2 291.395 0.481 20 30 CCEDLO CC[C@H](F)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772422 893133647 /nfs/dbraw/zinc/13/36/47/893133647.db2.gz WRFMGFHOZRYHNJ-RYUDHWBXSA-N 1 2 298.362 0.297 20 30 CCEDLO CC[C@H](F)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772422 893133651 /nfs/dbraw/zinc/13/36/51/893133651.db2.gz WRFMGFHOZRYHNJ-RYUDHWBXSA-N 1 2 298.362 0.297 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCCN1CC#N ZINC001284132802 893316004 /nfs/dbraw/zinc/31/60/04/893316004.db2.gz XKLDKANSVMNMDF-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](C)CNCC#N)c[nH+]1 ZINC001482112944 893404645 /nfs/dbraw/zinc/40/46/45/893404645.db2.gz DYSNBHPXACUEDM-LLVKDONJSA-N 1 2 277.372 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001482187132 893478253 /nfs/dbraw/zinc/47/82/53/893478253.db2.gz SCNWJDCKLNIVAF-QWHCGFSZSA-N 1 2 293.371 0.232 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001482187132 893478259 /nfs/dbraw/zinc/47/82/59/893478259.db2.gz SCNWJDCKLNIVAF-QWHCGFSZSA-N 1 2 293.371 0.232 20 30 CCEDLO COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191161 893482113 /nfs/dbraw/zinc/48/21/13/893482113.db2.gz AFTJEIGWVALJQU-UONOGXRCSA-N 1 2 296.411 0.888 20 30 CCEDLO COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001482191161 893482118 /nfs/dbraw/zinc/48/21/18/893482118.db2.gz AFTJEIGWVALJQU-UONOGXRCSA-N 1 2 296.411 0.888 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)NC(=O)C#CC(C)C ZINC001284293934 893499353 /nfs/dbraw/zinc/49/93/53/893499353.db2.gz IYXDUDQITJAJDL-NSHDSACASA-N 1 2 290.367 0.541 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001482277727 893746873 /nfs/dbraw/zinc/74/68/73/893746873.db2.gz MKNIXTVMHYJFBP-HZMBPMFUSA-N 1 2 296.371 0.642 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211867136 893938434 /nfs/dbraw/zinc/93/84/34/893938434.db2.gz MAYOJHVKHWDORY-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211867136 893938411 /nfs/dbraw/zinc/93/84/11/893938411.db2.gz MAYOJHVKHWDORY-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC001042623416 894323047 /nfs/dbraw/zinc/32/30/47/894323047.db2.gz PSAYOYJUTGTDJE-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C)CCCC1 ZINC001482616969 894416208 /nfs/dbraw/zinc/41/62/08/894416208.db2.gz OJUHADQJEKSAFH-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C)CCCC1 ZINC001482616969 894416215 /nfs/dbraw/zinc/41/62/15/894416215.db2.gz OJUHADQJEKSAFH-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001482756938 894573373 /nfs/dbraw/zinc/57/33/73/894573373.db2.gz WJAZARVMYCLCSK-NSHDSACASA-N 1 2 296.371 0.547 20 30 CCEDLO CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H](C)C#N ZINC001482914490 894693638 /nfs/dbraw/zinc/69/36/38/894693638.db2.gz OPEIEMLKRFRPPB-NSHDSACASA-N 1 2 261.329 0.574 20 30 CCEDLO C[C@@H](C#N)C(=O)NC/C=C\C[NH2+]Cc1nn(C)cc1Cl ZINC001482991034 894781385 /nfs/dbraw/zinc/78/13/85/894781385.db2.gz LNLQKMATZQPHRH-XOULXFPDSA-N 1 2 295.774 0.995 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001483413173 895551022 /nfs/dbraw/zinc/55/10/22/895551022.db2.gz JXZSJKDTVXNQLY-JTQLQIEISA-N 1 2 271.752 0.467 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001483413173 895551035 /nfs/dbraw/zinc/55/10/35/895551035.db2.gz JXZSJKDTVXNQLY-JTQLQIEISA-N 1 2 271.752 0.467 20 30 CCEDLO Cc1cnc(C[NH+]2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)cn1 ZINC001409831874 895728393 /nfs/dbraw/zinc/72/83/93/895728393.db2.gz FNFTUWZWWSSWNU-JQWIXIFHSA-N 1 2 287.367 0.881 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001483631250 895751508 /nfs/dbraw/zinc/75/15/08/895751508.db2.gz SRWRNUZERMXONX-OLZOCXBDSA-N 1 2 277.368 0.281 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001483631250 895751512 /nfs/dbraw/zinc/75/15/12/895751512.db2.gz SRWRNUZERMXONX-OLZOCXBDSA-N 1 2 277.368 0.281 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001483640932 895778573 /nfs/dbraw/zinc/77/85/73/895778573.db2.gz CQLYCSNOBMKWED-QWHCGFSZSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001483640932 895778558 /nfs/dbraw/zinc/77/85/58/895778558.db2.gz CQLYCSNOBMKWED-QWHCGFSZSA-N 1 2 279.384 0.505 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCC(=O)NC)C1 ZINC001483862344 896088406 /nfs/dbraw/zinc/08/84/06/896088406.db2.gz NOMUXGKIEICCMO-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001483869731 896096065 /nfs/dbraw/zinc/09/60/65/896096065.db2.gz GAWFUSSUVRZTAO-OLZOCXBDSA-N 1 2 282.384 0.757 20 30 CCEDLO C[C@@H](CC(=O)N(C)C1CN(CC#N)C1)n1cc[nH+]c1 ZINC001483882274 896103572 /nfs/dbraw/zinc/10/35/72/896103572.db2.gz QEBRHEFISDVIMY-NSHDSACASA-N 1 2 261.329 0.500 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001484031906 896156746 /nfs/dbraw/zinc/15/67/46/896156746.db2.gz FYULXLALBAPOLG-RISCZKNCSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001484031906 896156758 /nfs/dbraw/zinc/15/67/58/896156758.db2.gz FYULXLALBAPOLG-RISCZKNCSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](CCC[C@@H](C)O)C1 ZINC001484288158 896317712 /nfs/dbraw/zinc/31/77/12/896317712.db2.gz MHRFGYKJRAPSJD-GFCCVEGCSA-N 1 2 284.400 0.523 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001484381553 896371692 /nfs/dbraw/zinc/37/16/92/896371692.db2.gz WUQHCCKLHAHZDO-MNOVXSKESA-N 1 2 261.329 0.160 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001484603585 896490983 /nfs/dbraw/zinc/49/09/83/896490983.db2.gz NDKTWIPWYYYDHO-UONOGXRCSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001484603585 896490988 /nfs/dbraw/zinc/49/09/88/896490988.db2.gz NDKTWIPWYYYDHO-UONOGXRCSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001326648895 914073898 /nfs/dbraw/zinc/07/38/98/914073898.db2.gz ZWMAETMXFBDXJE-CABCVRRESA-N 1 2 296.411 0.768 20 30 CCEDLO C#CCCCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001326648895 914073919 /nfs/dbraw/zinc/07/39/19/914073919.db2.gz ZWMAETMXFBDXJE-CABCVRRESA-N 1 2 296.411 0.768 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COCCC)C2)C1 ZINC001485554412 897117313 /nfs/dbraw/zinc/11/73/13/897117313.db2.gz SOWHDFNQOAJHDI-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COCCC)C2)C1 ZINC001485554412 897117316 /nfs/dbraw/zinc/11/73/16/897117316.db2.gz SOWHDFNQOAJHDI-HNNXBMFYSA-N 1 2 282.384 0.902 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001485567817 897120374 /nfs/dbraw/zinc/12/03/74/897120374.db2.gz PILMORLKMCFVAL-CYBMUJFWSA-N 1 2 291.395 0.363 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001485567817 897120377 /nfs/dbraw/zinc/12/03/77/897120377.db2.gz PILMORLKMCFVAL-CYBMUJFWSA-N 1 2 291.395 0.363 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001077723674 897336262 /nfs/dbraw/zinc/33/62/62/897336262.db2.gz VWHIBDZDMPFYIP-TZMCWYRMSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001077723674 897336277 /nfs/dbraw/zinc/33/62/77/897336277.db2.gz VWHIBDZDMPFYIP-TZMCWYRMSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C2CCC2)nn1 ZINC001032406969 897473102 /nfs/dbraw/zinc/47/31/02/897473102.db2.gz HURGSFVCJUIHMF-KBPBESRZSA-N 1 2 299.378 0.925 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C2CCC2)nn1 ZINC001032406969 897473111 /nfs/dbraw/zinc/47/31/11/897473111.db2.gz HURGSFVCJUIHMF-KBPBESRZSA-N 1 2 299.378 0.925 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407523 897474090 /nfs/dbraw/zinc/47/40/90/897474090.db2.gz HCHIWMKRUUJGAF-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407523 897474100 /nfs/dbraw/zinc/47/41/00/897474100.db2.gz HCHIWMKRUUJGAF-QWRGUYRKSA-N 1 2 272.308 0.017 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001107903682 897474174 /nfs/dbraw/zinc/47/41/74/897474174.db2.gz WRRIBBFJZVQQFS-LSDHHAIUSA-N 1 2 282.384 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@](C)(O)C=C)C1 ZINC001107903682 897474183 /nfs/dbraw/zinc/47/41/83/897474183.db2.gz WRRIBBFJZVQQFS-LSDHHAIUSA-N 1 2 282.384 0.707 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001077773233 897479025 /nfs/dbraw/zinc/47/90/25/897479025.db2.gz XNWZHJKSHXIKMF-HUUCEWRRSA-N 1 2 283.331 0.347 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001077773233 897479037 /nfs/dbraw/zinc/47/90/37/897479037.db2.gz XNWZHJKSHXIKMF-HUUCEWRRSA-N 1 2 283.331 0.347 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001032411212 897497109 /nfs/dbraw/zinc/49/71/09/897497109.db2.gz LFTRKNGVVOBSGA-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001032411212 897497114 /nfs/dbraw/zinc/49/71/14/897497114.db2.gz LFTRKNGVVOBSGA-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001077795495 897522611 /nfs/dbraw/zinc/52/26/11/897522611.db2.gz KSXNHGJKSMZSGW-YXXKGXSTSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001077795495 897522621 /nfs/dbraw/zinc/52/26/21/897522621.db2.gz KSXNHGJKSMZSGW-YXXKGXSTSA-N 1 2 290.407 0.997 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001107941418 897534061 /nfs/dbraw/zinc/53/40/61/897534061.db2.gz FMQXISZELAROIK-UKRRQHHQSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001107941418 897534075 /nfs/dbraw/zinc/53/40/75/897534075.db2.gz FMQXISZELAROIK-UKRRQHHQSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nnn1CC ZINC001032441572 897575265 /nfs/dbraw/zinc/57/52/65/897575265.db2.gz SKCKRQWEHROEIX-RYUDHWBXSA-N 1 2 273.340 0.138 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nnn1CC ZINC001032441572 897575276 /nfs/dbraw/zinc/57/52/76/897575276.db2.gz SKCKRQWEHROEIX-RYUDHWBXSA-N 1 2 273.340 0.138 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1Cl ZINC001032479504 897627066 /nfs/dbraw/zinc/62/70/66/897627066.db2.gz MZUVPUKPJPMSJN-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1Cl ZINC001032479504 897627071 /nfs/dbraw/zinc/62/70/71/897627071.db2.gz MZUVPUKPJPMSJN-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001038522103 897676254 /nfs/dbraw/zinc/67/62/54/897676254.db2.gz QDERNTRFLOKNBT-QWHCGFSZSA-N 1 2 287.367 0.054 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001038522103 897676262 /nfs/dbraw/zinc/67/62/62/897676262.db2.gz QDERNTRFLOKNBT-QWHCGFSZSA-N 1 2 287.367 0.054 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(=O)[nH]c1)C2 ZINC001272802761 897695253 /nfs/dbraw/zinc/69/52/53/897695253.db2.gz OZKIIGLSGBQAGU-UHFFFAOYSA-N 1 2 289.335 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001032540989 897722064 /nfs/dbraw/zinc/72/20/64/897722064.db2.gz WQGCBSKXKRXAJE-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001032540989 897722076 /nfs/dbraw/zinc/72/20/76/897722076.db2.gz WQGCBSKXKRXAJE-STQMWFEESA-N 1 2 272.352 0.996 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC#N ZINC000356045772 897750941 /nfs/dbraw/zinc/75/09/41/897750941.db2.gz AZZPIRVXYNTVPX-GFCCVEGCSA-N 1 2 291.355 0.513 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC#N ZINC000356045772 897750952 /nfs/dbraw/zinc/75/09/52/897750952.db2.gz AZZPIRVXYNTVPX-GFCCVEGCSA-N 1 2 291.355 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1C ZINC001032627091 897844750 /nfs/dbraw/zinc/84/47/50/897844750.db2.gz SUEJBIXXJCHVDD-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1C ZINC001032627091 897844760 /nfs/dbraw/zinc/84/47/60/897844760.db2.gz SUEJBIXXJCHVDD-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C=C ZINC001032638093 897872578 /nfs/dbraw/zinc/87/25/78/897872578.db2.gz JJCBAFQUEJATNT-FQUUOJAGSA-N 1 2 260.337 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C=C ZINC001032638093 897872586 /nfs/dbraw/zinc/87/25/86/897872586.db2.gz JJCBAFQUEJATNT-FQUUOJAGSA-N 1 2 260.337 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001032656019 897900185 /nfs/dbraw/zinc/90/01/85/897900185.db2.gz YXAJYBAYCRWICF-RYUDHWBXSA-N 1 2 296.330 0.800 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001032656019 897900196 /nfs/dbraw/zinc/90/01/96/897900196.db2.gz YXAJYBAYCRWICF-RYUDHWBXSA-N 1 2 296.330 0.800 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1COC ZINC001032729436 898022215 /nfs/dbraw/zinc/02/22/15/898022215.db2.gz ZAIIKMFKTNGOQB-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1COC ZINC001032729436 898022226 /nfs/dbraw/zinc/02/22/26/898022226.db2.gz ZAIIKMFKTNGOQB-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001077914051 898045818 /nfs/dbraw/zinc/04/58/18/898045818.db2.gz RXXCWHIVMMNHRN-DGCLKSJQSA-N 1 2 289.335 0.035 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001077914051 898045832 /nfs/dbraw/zinc/04/58/32/898045832.db2.gz RXXCWHIVMMNHRN-DGCLKSJQSA-N 1 2 289.335 0.035 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108012842 898112016 /nfs/dbraw/zinc/11/20/16/898112016.db2.gz FXYATPFYYLJNKR-ZBCRRDGASA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108012842 898112020 /nfs/dbraw/zinc/11/20/20/898112020.db2.gz FXYATPFYYLJNKR-ZBCRRDGASA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)n[nH]c1C ZINC001032778254 898170920 /nfs/dbraw/zinc/17/09/20/898170920.db2.gz MCJVFYXHLQXRQP-STQMWFEESA-N 1 2 272.352 0.487 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)n[nH]c1C ZINC001032778254 898170927 /nfs/dbraw/zinc/17/09/27/898170927.db2.gz MCJVFYXHLQXRQP-STQMWFEESA-N 1 2 272.352 0.487 20 30 CCEDLO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032784026 898191683 /nfs/dbraw/zinc/19/16/83/898191683.db2.gz DIEIMRRJPFHYBA-STQMWFEESA-N 1 2 260.341 0.663 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001078158550 898271898 /nfs/dbraw/zinc/27/18/98/898271898.db2.gz KAXSIRCOPDPETO-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001078158550 898271912 /nfs/dbraw/zinc/27/19/12/898271912.db2.gz KAXSIRCOPDPETO-HUUCEWRRSA-N 1 2 288.347 0.241 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001032794454 898307566 /nfs/dbraw/zinc/30/75/66/898307566.db2.gz NDGPYLHHKOCRRK-QEJZJMRPSA-N 1 2 298.390 0.823 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001032794454 898307581 /nfs/dbraw/zinc/30/75/81/898307581.db2.gz NDGPYLHHKOCRRK-QEJZJMRPSA-N 1 2 298.390 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001078251559 898317478 /nfs/dbraw/zinc/31/74/78/898317478.db2.gz RURKLXHVSRBJRL-JFIYKMOQSA-N 1 2 298.386 0.685 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001078251559 898317489 /nfs/dbraw/zinc/31/74/89/898317489.db2.gz RURKLXHVSRBJRL-JFIYKMOQSA-N 1 2 298.386 0.685 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCN(CC#N)CC1 ZINC001486440987 898878652 /nfs/dbraw/zinc/87/86/52/898878652.db2.gz HOZFNFAEQMVVKM-GFCCVEGCSA-N 1 2 289.383 0.703 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001488637839 900325790 /nfs/dbraw/zinc/32/57/90/900325790.db2.gz JKPFPALXMIDXAI-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001488637839 900325799 /nfs/dbraw/zinc/32/57/99/900325799.db2.gz JKPFPALXMIDXAI-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001490186090 900561722 /nfs/dbraw/zinc/56/17/22/900561722.db2.gz HRJGGMRMVOZHCJ-CQSZACIVSA-N 1 2 295.387 0.080 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](C)Cc1cnn(C)n1 ZINC001490186090 900561725 /nfs/dbraw/zinc/56/17/25/900561725.db2.gz HRJGGMRMVOZHCJ-CQSZACIVSA-N 1 2 295.387 0.080 20 30 CCEDLO CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001490304033 900595854 /nfs/dbraw/zinc/59/58/54/900595854.db2.gz SVZGCEHLTUGQEF-STQMWFEESA-N 1 2 289.383 0.730 20 30 CCEDLO C/C=C(\C)C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001490486805 900636774 /nfs/dbraw/zinc/63/67/74/900636774.db2.gz MDLDTSOCKAVFKO-SYZQJQIISA-N 1 2 293.411 0.336 20 30 CCEDLO C/C=C(\C)C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001490486805 900636779 /nfs/dbraw/zinc/63/67/79/900636779.db2.gz MDLDTSOCKAVFKO-SYZQJQIISA-N 1 2 293.411 0.336 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CCO1 ZINC001490508184 900657650 /nfs/dbraw/zinc/65/76/50/900657650.db2.gz XGFRDBFWCDFUES-ZIAGYGMSSA-N 1 2 294.399 0.059 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001490558410 900664359 /nfs/dbraw/zinc/66/43/59/900664359.db2.gz HWEBHUUVTFMSFG-RISCZKNCSA-N 1 2 267.373 0.525 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001490558410 900664363 /nfs/dbraw/zinc/66/43/63/900664363.db2.gz HWEBHUUVTFMSFG-RISCZKNCSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001327351024 914493892 /nfs/dbraw/zinc/49/38/92/914493892.db2.gz XERMMMXOYFSEEL-RYUDHWBXSA-N 1 2 263.341 0.682 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCOC)CO2 ZINC001327372478 914506511 /nfs/dbraw/zinc/50/65/11/914506511.db2.gz NUBMXBJXACYUQR-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001327388905 914515850 /nfs/dbraw/zinc/51/58/50/914515850.db2.gz XUCMATZJWYOWJF-GFCCVEGCSA-N 1 2 250.342 0.625 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)ccc1F ZINC001412487980 901763422 /nfs/dbraw/zinc/76/34/22/901763422.db2.gz KHMBNGZZLMTVTI-LBPRGKRZSA-N 1 2 288.282 0.754 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)ccc1F ZINC001412487980 901763432 /nfs/dbraw/zinc/76/34/32/901763432.db2.gz KHMBNGZZLMTVTI-LBPRGKRZSA-N 1 2 288.282 0.754 20 30 CCEDLO Cc1[nH]c(CNC(=O)[C@@H](C)n2cnc(C#N)n2)[nH+]c1C ZINC001412636689 901893003 /nfs/dbraw/zinc/89/30/03/901893003.db2.gz FWROOZZTBDBNDS-SECBINFHSA-N 1 2 273.300 0.367 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)CO2 ZINC001327381385 902151748 /nfs/dbraw/zinc/15/17/48/902151748.db2.gz YRNQYVAVJBMNCR-VXGBXAGGSA-N 1 2 261.325 0.129 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001412903322 902347703 /nfs/dbraw/zinc/34/77/03/902347703.db2.gz XAPLKHMDMLFBPG-MNOVXSKESA-N 1 2 286.339 0.741 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001412903322 902347718 /nfs/dbraw/zinc/34/77/18/902347718.db2.gz XAPLKHMDMLFBPG-MNOVXSKESA-N 1 2 286.339 0.741 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995209 902449752 /nfs/dbraw/zinc/44/97/52/902449752.db2.gz LDOUOCLPMWJDQF-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995209 902449758 /nfs/dbraw/zinc/44/97/58/902449758.db2.gz LDOUOCLPMWJDQF-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1NCC#N ZINC001054895651 903072774 /nfs/dbraw/zinc/07/27/74/903072774.db2.gz IWOMAIXZQRPWHO-VXGBXAGGSA-N 1 2 283.335 0.908 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001491207424 903445675 /nfs/dbraw/zinc/44/56/75/903445675.db2.gz ZIXNIWVHOUFTTA-GFCCVEGCSA-N 1 2 265.357 0.102 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001491207424 903445677 /nfs/dbraw/zinc/44/56/77/903445677.db2.gz ZIXNIWVHOUFTTA-GFCCVEGCSA-N 1 2 265.357 0.102 20 30 CCEDLO C=CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001331952283 904034282 /nfs/dbraw/zinc/03/42/82/904034282.db2.gz XKUBPRHPXGSCBT-OLZOCXBDSA-N 1 2 268.357 0.859 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@@H](C)OC)C1 ZINC001282510414 904498836 /nfs/dbraw/zinc/49/88/36/904498836.db2.gz WSDLFHXMZQDDHR-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2cnc(C)o2)C1 ZINC001282517929 904499820 /nfs/dbraw/zinc/49/98/20/904499820.db2.gz DONBGNSDASRKIA-UHFFFAOYSA-N 1 2 291.351 0.102 20 30 CCEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001282724226 904528886 /nfs/dbraw/zinc/52/88/86/904528886.db2.gz DRQRLHZXDKIJGO-SNVBAGLBSA-N 1 2 286.397 0.044 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1nonc1C ZINC001283793060 905019051 /nfs/dbraw/zinc/01/90/51/905019051.db2.gz RSGFIMFKARJQQM-GFCCVEGCSA-N 1 2 294.355 0.138 20 30 CCEDLO C=CCCC(=O)N[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001283950296 905094841 /nfs/dbraw/zinc/09/48/41/905094841.db2.gz PCNHVXWTFLKUFU-ZDUSSCGKSA-N 1 2 290.367 0.860 20 30 CCEDLO C=CCCCC(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284937879 905496394 /nfs/dbraw/zinc/49/63/94/905496394.db2.gz CTPRPUMDFBANBZ-UHFFFAOYSA-N 1 2 290.367 0.944 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001285852577 905785345 /nfs/dbraw/zinc/78/53/45/905785345.db2.gz XLHNJTVXXUQTSB-GFCCVEGCSA-N 1 2 288.351 0.473 20 30 CCEDLO C=CC(C)(C)C(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001285959522 905821147 /nfs/dbraw/zinc/82/11/47/905821147.db2.gz SBXJGJGZJLMVDN-UHFFFAOYSA-N 1 2 290.367 0.929 20 30 CCEDLO N#CC1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC001337542569 921268260 /nfs/dbraw/zinc/26/82/60/921268260.db2.gz GVHIHJVCMLCQDO-UPHRSURJSA-N 1 2 293.367 0.311 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](Cc2ccccc2)C1 ZINC001380582779 906840310 /nfs/dbraw/zinc/84/03/10/906840310.db2.gz WJLJEKKVJCVQPK-GFCCVEGCSA-N 1 2 273.336 0.509 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)F ZINC001317169559 907230844 /nfs/dbraw/zinc/23/08/44/907230844.db2.gz ZVMFNVIWTPAUBL-LBPRGKRZSA-N 1 2 297.374 0.455 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)F ZINC001317169559 907230856 /nfs/dbraw/zinc/23/08/56/907230856.db2.gz ZVMFNVIWTPAUBL-LBPRGKRZSA-N 1 2 297.374 0.455 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNCC#N)C1 ZINC001491851589 907605352 /nfs/dbraw/zinc/60/53/52/907605352.db2.gz KYGJGQXRFXYZEG-NSHDSACASA-N 1 2 261.329 0.222 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1CCCC12CC2)CC(=O)NCC#N ZINC001492304172 907836758 /nfs/dbraw/zinc/83/67/58/907836758.db2.gz SKYBNYWIKSCAGR-GFCCVEGCSA-N 1 2 292.383 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1CCCC12CC2)CC(=O)NCC#N ZINC001492304172 907836773 /nfs/dbraw/zinc/83/67/73/907836773.db2.gz SKYBNYWIKSCAGR-GFCCVEGCSA-N 1 2 292.383 0.254 20 30 CCEDLO CC(C)C#CC(=O)N(C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001492415098 907911087 /nfs/dbraw/zinc/91/10/87/907911087.db2.gz FLDNBYCQEKSJJT-UHFFFAOYSA-N 1 2 290.367 0.507 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCOC[C@@H]1C ZINC001492407720 907911677 /nfs/dbraw/zinc/91/16/77/907911677.db2.gz ZKDWTPOOUIVENU-STQMWFEESA-N 1 2 297.399 0.009 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCOC[C@@H]1C ZINC001492407720 907911686 /nfs/dbraw/zinc/91/16/86/907911686.db2.gz ZKDWTPOOUIVENU-STQMWFEESA-N 1 2 297.399 0.009 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001338117254 908201438 /nfs/dbraw/zinc/20/14/38/908201438.db2.gz DWKJCRNQXTZDDM-RYUDHWBXSA-N 1 2 271.361 0.207 20 30 CCEDLO COC(=O)c1cc(C(C)(C)[NH2+]C[C@H](O)CC#N)no1 ZINC001307812604 908347327 /nfs/dbraw/zinc/34/73/27/908347327.db2.gz ISPBXTKRXGDVAA-MRVPVSSYSA-N 1 2 267.285 0.560 20 30 CCEDLO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1csnn1 ZINC001307849692 908357257 /nfs/dbraw/zinc/35/72/57/908357257.db2.gz PLADKLKPRIHCFW-SECBINFHSA-N 1 2 267.358 0.951 20 30 CCEDLO C=CCCC[N@@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC001308067914 908373215 /nfs/dbraw/zinc/37/32/15/908373215.db2.gz JTMSFZOLPFOVHZ-UHFFFAOYSA-N 1 2 261.329 0.826 20 30 CCEDLO C=CCCC[N@H+](C)Cc1nnc2c(=O)n(C)ccn12 ZINC001308067914 908373231 /nfs/dbraw/zinc/37/32/31/908373231.db2.gz JTMSFZOLPFOVHZ-UHFFFAOYSA-N 1 2 261.329 0.826 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001308133941 908386084 /nfs/dbraw/zinc/38/60/84/908386084.db2.gz FGCNVUBKPUSFSU-KWBADKCTSA-N 1 2 293.375 0.304 20 30 CCEDLO C[NH+](C)Cc1nc(CNS(=O)(=O)CCCC#N)co1 ZINC001309894625 908480142 /nfs/dbraw/zinc/48/01/42/908480142.db2.gz FUIHIACJSIGWKI-UHFFFAOYSA-N 1 2 286.357 0.459 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001317523365 908588343 /nfs/dbraw/zinc/58/83/43/908588343.db2.gz QKCNJGIHZOKJSW-ZDUSSCGKSA-N 1 2 289.383 0.413 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001317523365 908588350 /nfs/dbraw/zinc/58/83/50/908588350.db2.gz QKCNJGIHZOKJSW-ZDUSSCGKSA-N 1 2 289.383 0.413 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCCOC ZINC001317050058 908939548 /nfs/dbraw/zinc/93/95/48/908939548.db2.gz PPYIVQQZQPFBMY-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCCOC ZINC001317050058 908939562 /nfs/dbraw/zinc/93/95/62/908939562.db2.gz PPYIVQQZQPFBMY-OKILXGFUSA-N 1 2 280.368 0.348 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001386894154 908963389 /nfs/dbraw/zinc/96/33/89/908963389.db2.gz GYBPJPSVGUXRKR-VXGBXAGGSA-N 1 2 291.355 0.568 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001387578884 909154413 /nfs/dbraw/zinc/15/44/13/909154413.db2.gz CABSUGWYWFJVRI-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO COCC#CC[N@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001317441594 909206439 /nfs/dbraw/zinc/20/64/39/909206439.db2.gz COPXJUZPSIUENE-UHFFFAOYSA-N 1 2 268.357 0.299 20 30 CCEDLO COCC#CC[N@@H+](C)CCNC(=O)C(=O)C(C)(C)C ZINC001317441594 909206451 /nfs/dbraw/zinc/20/64/51/909206451.db2.gz COPXJUZPSIUENE-UHFFFAOYSA-N 1 2 268.357 0.299 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](CCC)OC)CC1 ZINC001317820692 909511950 /nfs/dbraw/zinc/51/19/50/909511950.db2.gz WIRLHMRLAKBSTK-HNNXBMFYSA-N 1 2 295.427 0.511 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001317998596 909566434 /nfs/dbraw/zinc/56/64/34/909566434.db2.gz MFHPQQSGTCATNP-VXGBXAGGSA-N 1 2 297.380 0.646 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC1C[NH+](CCCOC(C)C)C1 ZINC001318025629 909586539 /nfs/dbraw/zinc/58/65/39/909586539.db2.gz YLAUKPCVBPWNEX-CYBMUJFWSA-N 1 2 282.384 0.640 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOC(C)C)C2)cn1 ZINC001318080391 909610265 /nfs/dbraw/zinc/61/02/65/909610265.db2.gz ZLFRPGKNEQCIHV-UHFFFAOYSA-N 1 2 287.363 0.902 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001318126304 909636774 /nfs/dbraw/zinc/63/67/74/909636774.db2.gz BEBCZNQNOSUTRT-UHFFFAOYSA-N 1 2 281.400 0.725 20 30 CCEDLO CC[C@@H](C)OCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001318193261 909663090 /nfs/dbraw/zinc/66/30/90/909663090.db2.gz ORBLTGJUDWTGKM-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO CC[C@@H](C)OCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001318193261 909663097 /nfs/dbraw/zinc/66/30/97/909663097.db2.gz ORBLTGJUDWTGKM-ILXRZTDVSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC001318387940 909735057 /nfs/dbraw/zinc/73/50/57/909735057.db2.gz WFKWYGIIFWSSDK-LLVKDONJSA-N 1 2 292.339 0.123 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC001318387940 909735071 /nfs/dbraw/zinc/73/50/71/909735071.db2.gz WFKWYGIIFWSSDK-LLVKDONJSA-N 1 2 292.339 0.123 20 30 CCEDLO CC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318400596 909745416 /nfs/dbraw/zinc/74/54/16/909745416.db2.gz SDGIMRLXVGAMPY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318400596 909745432 /nfs/dbraw/zinc/74/54/32/909745432.db2.gz SDGIMRLXVGAMPY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC001413846698 909824323 /nfs/dbraw/zinc/82/43/23/909824323.db2.gz GWXYMBKCQLFFBY-GFCCVEGCSA-N 1 2 288.326 0.427 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC001319298127 910082454 /nfs/dbraw/zinc/08/24/54/910082454.db2.gz UHMDNRSDCHJBCB-VIFPVBQESA-N 1 2 266.263 0.942 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC001319298127 910082471 /nfs/dbraw/zinc/08/24/71/910082471.db2.gz UHMDNRSDCHJBCB-VIFPVBQESA-N 1 2 266.263 0.942 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C#CC(C)C)o1 ZINC001319453250 910160051 /nfs/dbraw/zinc/16/00/51/910160051.db2.gz GNZHYUOXYNJPGT-LLVKDONJSA-N 1 2 278.356 0.974 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC001417721465 921573434 /nfs/dbraw/zinc/57/34/34/921573434.db2.gz UGRQBGKZZUOKPH-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC001417721465 921573447 /nfs/dbraw/zinc/57/34/47/921573447.db2.gz UGRQBGKZZUOKPH-NSHDSACASA-N 1 2 291.326 0.836 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1COCCO1 ZINC001390888257 910759677 /nfs/dbraw/zinc/75/96/77/910759677.db2.gz VJDVWQCRYALHBE-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1COCCO1 ZINC001390888257 910759686 /nfs/dbraw/zinc/75/96/86/910759686.db2.gz VJDVWQCRYALHBE-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001320774144 910860998 /nfs/dbraw/zinc/86/09/98/910860998.db2.gz XPKOWPOYHMKOQR-DCAQKATOSA-N 1 2 267.329 0.202 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001320774144 910861003 /nfs/dbraw/zinc/86/10/03/910861003.db2.gz XPKOWPOYHMKOQR-DCAQKATOSA-N 1 2 267.329 0.202 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001417851387 921638855 /nfs/dbraw/zinc/63/88/55/921638855.db2.gz YRKVWTQQVSHJJG-IEBDPFPHSA-N 1 2 287.791 0.829 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001417851387 921638862 /nfs/dbraw/zinc/63/88/62/921638862.db2.gz YRKVWTQQVSHJJG-IEBDPFPHSA-N 1 2 287.791 0.829 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001322263391 911738736 /nfs/dbraw/zinc/73/87/36/911738736.db2.gz ZFZFADXPVZAFLG-WCQYABFASA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001322263391 911738728 /nfs/dbraw/zinc/73/87/28/911738728.db2.gz ZFZFADXPVZAFLG-WCQYABFASA-N 1 2 286.397 0.023 20 30 CCEDLO C=CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001323012600 912071819 /nfs/dbraw/zinc/07/18/19/912071819.db2.gz DJBPYFKVLZGRFL-SNVBAGLBSA-N 1 2 265.313 0.966 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](CNCC#N)C1CC1 ZINC001323035462 912082565 /nfs/dbraw/zinc/08/25/65/912082565.db2.gz LFHJTJXJMWUEQP-LBPRGKRZSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328105106 914969947 /nfs/dbraw/zinc/96/99/47/914969947.db2.gz JFFVYTXISPWMEJ-LLVKDONJSA-N 1 2 297.380 0.163 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001399445043 915182890 /nfs/dbraw/zinc/18/28/90/915182890.db2.gz GAFOCNLQGAKNRD-UHFFFAOYSA-N 1 2 291.355 0.074 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001399445043 915182899 /nfs/dbraw/zinc/18/28/99/915182899.db2.gz GAFOCNLQGAKNRD-UHFFFAOYSA-N 1 2 291.355 0.074 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001399828806 915401304 /nfs/dbraw/zinc/40/13/04/915401304.db2.gz OMTUPQUGAFSKTF-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001399828806 915401313 /nfs/dbraw/zinc/40/13/13/915401313.db2.gz OMTUPQUGAFSKTF-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C[C@@H](NCC#N)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001329084153 915653257 /nfs/dbraw/zinc/65/32/57/915653257.db2.gz CCSHLHZSXBGUCU-GHMZBOCLSA-N 1 2 263.345 0.359 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001417072403 916008337 /nfs/dbraw/zinc/00/83/37/916008337.db2.gz ARRPMKPCTYPCEU-GXSJLCMTSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCc1cnn[nH]1 ZINC001401244407 916140696 /nfs/dbraw/zinc/14/06/96/916140696.db2.gz RPWTXRZRKGBFEK-JTQLQIEISA-N 1 2 285.779 0.926 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330404369 916610870 /nfs/dbraw/zinc/61/08/70/916610870.db2.gz LSYXGMBALNEGGX-CHWSQXEVSA-N 1 2 291.355 0.002 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001330935370 916978822 /nfs/dbraw/zinc/97/88/22/916978822.db2.gz YUZYRNWBWWGWKB-ZDUSSCGKSA-N 1 2 264.300 0.847 20 30 CCEDLO C=CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC001331154971 917135425 /nfs/dbraw/zinc/13/54/25/917135425.db2.gz FWTHKDBYVHXNRC-VIFPVBQESA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001403448693 917719422 /nfs/dbraw/zinc/71/94/22/917719422.db2.gz KYZWSHSJXAEWLU-RTCCRHLQSA-N 1 2 295.774 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001403448693 917719435 /nfs/dbraw/zinc/71/94/35/917719435.db2.gz KYZWSHSJXAEWLU-RTCCRHLQSA-N 1 2 295.774 0.394 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCCN1CC#N ZINC001332203018 917952725 /nfs/dbraw/zinc/95/27/25/917952725.db2.gz ZRFHOAPSXYUPMF-QWHCGFSZSA-N 1 2 275.356 0.766 20 30 CCEDLO CCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001404046121 918180746 /nfs/dbraw/zinc/18/07/46/918180746.db2.gz VMZAORWXCTXZQO-QWRGUYRKSA-N 1 2 291.355 0.730 20 30 CCEDLO CCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001404046121 918180752 /nfs/dbraw/zinc/18/07/52/918180752.db2.gz VMZAORWXCTXZQO-QWRGUYRKSA-N 1 2 291.355 0.730 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2csc(C#N)c2)[C@H](CO)C1 ZINC001332693471 918386056 /nfs/dbraw/zinc/38/60/56/918386056.db2.gz AVQMFWOOZBCHNR-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2csc(C#N)c2)[C@H](CO)C1 ZINC001332693471 918386064 /nfs/dbraw/zinc/38/60/64/918386064.db2.gz AVQMFWOOZBCHNR-JTQLQIEISA-N 1 2 265.338 0.368 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC2CCS(=O)(=O)CC2)nn1 ZINC001333548996 918990177 /nfs/dbraw/zinc/99/01/77/918990177.db2.gz PPMNSTBTFSVKKX-UHFFFAOYSA-N 1 2 296.396 0.216 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001406083584 919035178 /nfs/dbraw/zinc/03/51/78/919035178.db2.gz XHJDJBGQCHXTEW-CHWSQXEVSA-N 1 2 296.415 0.697 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001406083584 919035196 /nfs/dbraw/zinc/03/51/96/919035196.db2.gz XHJDJBGQCHXTEW-CHWSQXEVSA-N 1 2 296.415 0.697 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001406083591 919036179 /nfs/dbraw/zinc/03/61/79/919036179.db2.gz XHJDJBGQCHXTEW-OLZOCXBDSA-N 1 2 296.415 0.697 20 30 CCEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001406083591 919036188 /nfs/dbraw/zinc/03/61/88/919036188.db2.gz XHJDJBGQCHXTEW-OLZOCXBDSA-N 1 2 296.415 0.697 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C=CCC1 ZINC001333670154 919083667 /nfs/dbraw/zinc/08/36/67/919083667.db2.gz MTOLWXOBYGQSDD-QWRGUYRKSA-N 1 2 252.314 0.515 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001333742471 919132165 /nfs/dbraw/zinc/13/21/65/919132165.db2.gz WWPIGWNLFIWYFX-YNEHKIRRSA-N 1 2 285.388 0.596 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001333742471 919132175 /nfs/dbraw/zinc/13/21/75/919132175.db2.gz WWPIGWNLFIWYFX-YNEHKIRRSA-N 1 2 285.388 0.596 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nc(CC2CC2)no1 ZINC001418207936 921910588 /nfs/dbraw/zinc/91/05/88/921910588.db2.gz CHIUTWCZCCQIGN-ZJUUUORDSA-N 1 2 291.355 0.776 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc[nH]n3)n2CC)CC1 ZINC001340318920 922052759 /nfs/dbraw/zinc/05/27/59/922052759.db2.gz OWOAXIGICDTQQV-UHFFFAOYSA-N 1 2 299.382 0.367 20 30 CCEDLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001418449653 922128773 /nfs/dbraw/zinc/12/87/73/922128773.db2.gz CUJNSRFCOZSNDI-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001418449653 922128783 /nfs/dbraw/zinc/12/87/83/922128783.db2.gz CUJNSRFCOZSNDI-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H](C)C#N)on1 ZINC001418596437 922292820 /nfs/dbraw/zinc/29/28/20/922292820.db2.gz SFRYJKSHQNMKHD-GHMZBOCLSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H](C)C#N)on1 ZINC001418596437 922292835 /nfs/dbraw/zinc/29/28/35/922292835.db2.gz SFRYJKSHQNMKHD-GHMZBOCLSA-N 1 2 292.339 0.923 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001418839121 922448698 /nfs/dbraw/zinc/44/86/98/922448698.db2.gz NTADKLPDNSMRNH-CYBMUJFWSA-N 1 2 284.323 0.705 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001419075371 922623409 /nfs/dbraw/zinc/62/34/09/922623409.db2.gz MCXRNVABDXUUEF-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001419075371 922623418 /nfs/dbraw/zinc/62/34/18/922623418.db2.gz MCXRNVABDXUUEF-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC=CCC1 ZINC001342061737 922786625 /nfs/dbraw/zinc/78/66/25/922786625.db2.gz KYYQPAYVZNZRLU-QWHCGFSZSA-N 1 2 289.383 0.968 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC=CCC1 ZINC001342061737 922786635 /nfs/dbraw/zinc/78/66/35/922786635.db2.gz KYYQPAYVZNZRLU-QWHCGFSZSA-N 1 2 289.383 0.968 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)[nH]n3)n2CC)CC1 ZINC001342568184 923006931 /nfs/dbraw/zinc/00/69/31/923006931.db2.gz HIELLVKUYSRXBZ-UHFFFAOYSA-N 1 2 299.382 0.752 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001342744706 923079983 /nfs/dbraw/zinc/07/99/83/923079983.db2.gz NYJWEOIWKPFSMV-LBPRGKRZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001342744706 923079999 /nfs/dbraw/zinc/07/99/99/923079999.db2.gz NYJWEOIWKPFSMV-LBPRGKRZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C(Br)C[NH2+][C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001419877691 923145815 /nfs/dbraw/zinc/14/58/15/923145815.db2.gz ZXBSQKPCCRFVAA-ZETCQYMHSA-N 1 2 288.149 0.421 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CO)n2CC(C)C)CC1 ZINC001344477643 923612810 /nfs/dbraw/zinc/61/28/10/923612810.db2.gz FBBDYNKXGULQOU-UHFFFAOYSA-N 1 2 277.372 0.182 20 30 CCEDLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001420471775 923696633 /nfs/dbraw/zinc/69/66/33/923696633.db2.gz HLFJUWGORTYRRB-NEPJUHHUSA-N 1 2 290.371 0.538 20 30 CCEDLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001420471775 923696643 /nfs/dbraw/zinc/69/66/43/923696643.db2.gz HLFJUWGORTYRRB-NEPJUHHUSA-N 1 2 290.371 0.538 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CC(N)=O ZINC001420472726 923697044 /nfs/dbraw/zinc/69/70/44/923697044.db2.gz VSVXXTCAPYUCPB-ONGXEEELSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CC(N)=O ZINC001420472726 923697053 /nfs/dbraw/zinc/69/70/53/923697053.db2.gz VSVXXTCAPYUCPB-ONGXEEELSA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001420586511 923807234 /nfs/dbraw/zinc/80/72/34/923807234.db2.gz VJWLVLKGBXHRTF-VIFPVBQESA-N 1 2 276.768 0.104 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001420586511 923807237 /nfs/dbraw/zinc/80/72/37/923807237.db2.gz VJWLVLKGBXHRTF-VIFPVBQESA-N 1 2 276.768 0.104 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001420645866 923847836 /nfs/dbraw/zinc/84/78/36/923847836.db2.gz YRFARMGIMIQTPE-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001420645866 923847846 /nfs/dbraw/zinc/84/78/46/923847846.db2.gz YRFARMGIMIQTPE-WDEREUQCSA-N 1 2 287.791 0.844 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001347187361 924393917 /nfs/dbraw/zinc/39/39/17/924393917.db2.gz QTILFIFMXUKHAQ-LSDHHAIUSA-N 1 2 290.411 0.289 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001347187361 924393926 /nfs/dbraw/zinc/39/39/26/924393926.db2.gz QTILFIFMXUKHAQ-LSDHHAIUSA-N 1 2 290.411 0.289 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001349079630 924881560 /nfs/dbraw/zinc/88/15/60/924881560.db2.gz OZNSQPRLMXHCCJ-NSHDSACASA-N 1 2 278.356 0.785 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001349079630 924881567 /nfs/dbraw/zinc/88/15/67/924881567.db2.gz OZNSQPRLMXHCCJ-NSHDSACASA-N 1 2 278.356 0.785 20 30 CCEDLO C=CCN(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001352772740 925638992 /nfs/dbraw/zinc/63/89/92/925638992.db2.gz BSWGATHRJUJDDY-LBPRGKRZSA-N 1 2 279.388 0.877 20 30 CCEDLO C=CCN(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001352772740 925638996 /nfs/dbraw/zinc/63/89/96/925638996.db2.gz BSWGATHRJUJDDY-LBPRGKRZSA-N 1 2 279.388 0.877 20 30 CCEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001480459379 925786336 /nfs/dbraw/zinc/78/63/36/925786336.db2.gz LQKZYELJFDXTFL-JTQLQIEISA-N 1 2 264.329 0.713 20 30 CCEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001413963420 926008327 /nfs/dbraw/zinc/00/83/27/926008327.db2.gz LIFIFGMAOQTUOK-KGLIPLIRSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001413963420 926008331 /nfs/dbraw/zinc/00/83/31/926008331.db2.gz LIFIFGMAOQTUOK-KGLIPLIRSA-N 1 2 287.319 0.728 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C)CO1 ZINC001300612501 926109335 /nfs/dbraw/zinc/10/93/35/926109335.db2.gz AZYNJCDUKUFKRD-IRCOFANPSA-N 1 2 251.330 0.371 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C)CO1 ZINC001300612501 926109340 /nfs/dbraw/zinc/10/93/40/926109340.db2.gz AZYNJCDUKUFKRD-IRCOFANPSA-N 1 2 251.330 0.371 20 30 CCEDLO C=CCCCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001355851810 926318659 /nfs/dbraw/zinc/31/86/59/926318659.db2.gz SKKGDRXUAKMZRM-UHFFFAOYSA-N 1 2 278.356 0.883 20 30 CCEDLO C#CCCCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001355954300 926327925 /nfs/dbraw/zinc/32/79/25/926327925.db2.gz LRLTZEWTYIWYDI-UHFFFAOYSA-N 1 2 276.340 0.330 20 30 CCEDLO CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC001421950409 927011091 /nfs/dbraw/zinc/01/10/91/927011091.db2.gz ZIKHSJZRESKPHX-SNVBAGLBSA-N 1 2 292.364 0.626 20 30 CCEDLO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC001421950409 927011104 /nfs/dbraw/zinc/01/11/04/927011104.db2.gz ZIKHSJZRESKPHX-SNVBAGLBSA-N 1 2 292.364 0.626 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422868142 927559479 /nfs/dbraw/zinc/55/94/79/927559479.db2.gz LYDZLFUFCWGPRD-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422868142 927559489 /nfs/dbraw/zinc/55/94/89/927559489.db2.gz LYDZLFUFCWGPRD-VIFPVBQESA-N 1 2 286.763 0.928 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1ccon1 ZINC001424920876 928345793 /nfs/dbraw/zinc/34/57/93/928345793.db2.gz JJRDICDOQBSOOW-ZJUUUORDSA-N 1 2 293.327 0.209 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1ccon1 ZINC001424920876 928345808 /nfs/dbraw/zinc/34/58/08/928345808.db2.gz JJRDICDOQBSOOW-ZJUUUORDSA-N 1 2 293.327 0.209 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nc1 ZINC001362914836 928649411 /nfs/dbraw/zinc/64/94/11/928649411.db2.gz PFHQKBJDRLGLCZ-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)nc1 ZINC001362914836 928649418 /nfs/dbraw/zinc/64/94/18/928649418.db2.gz PFHQKBJDRLGLCZ-RYUDHWBXSA-N 1 2 274.299 0.821 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](O)(CC#N)C1 ZINC001362939337 928677237 /nfs/dbraw/zinc/67/72/37/928677237.db2.gz VICQUNZAEJKERA-JTNHKYCSSA-N 1 2 274.324 0.401 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)[C@H](O)c2ccc(C#N)cc2)c1 ZINC001363395835 929181544 /nfs/dbraw/zinc/18/15/44/929181544.db2.gz WELLPYHRKMCIIC-CQSZACIVSA-N 1 2 284.319 0.684 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001429056245 929372115 /nfs/dbraw/zinc/37/21/15/929372115.db2.gz URGVAZIGLWRBAQ-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001429056245 929372129 /nfs/dbraw/zinc/37/21/29/929372129.db2.gz URGVAZIGLWRBAQ-GHMZBOCLSA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001429113517 929380824 /nfs/dbraw/zinc/38/08/24/929380824.db2.gz KZEMAEREKKPEIH-WDEREUQCSA-N 1 2 291.355 0.513 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1OC ZINC001372206654 929765146 /nfs/dbraw/zinc/76/51/46/929765146.db2.gz DJQZQRLZLGIFEQ-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1OC ZINC001372206654 929765150 /nfs/dbraw/zinc/76/51/50/929765150.db2.gz DJQZQRLZLGIFEQ-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1N ZINC001444976139 929991313 /nfs/dbraw/zinc/99/13/13/929991313.db2.gz YYTKAPPCFOCHKW-UHFFFAOYSA-N 1 2 285.779 0.759 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1N ZINC001444976139 929991318 /nfs/dbraw/zinc/99/13/18/929991318.db2.gz YYTKAPPCFOCHKW-UHFFFAOYSA-N 1 2 285.779 0.759 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001445023018 930007898 /nfs/dbraw/zinc/00/78/98/930007898.db2.gz CZKOYSUWYHVIFN-LLVKDONJSA-N 1 2 287.791 0.750 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001445023018 930007903 /nfs/dbraw/zinc/00/79/03/930007903.db2.gz CZKOYSUWYHVIFN-LLVKDONJSA-N 1 2 287.791 0.750 20 30 CCEDLO COCC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001373485632 930212947 /nfs/dbraw/zinc/21/29/47/930212947.db2.gz JTPYNGNRQNJGKN-UHFFFAOYSA-N 1 2 291.326 0.892 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001374752365 930649097 /nfs/dbraw/zinc/64/90/97/930649097.db2.gz WHNDCEBIYUINCD-SNVBAGLBSA-N 1 2 297.318 0.435 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccns1 ZINC001449329007 931126863 /nfs/dbraw/zinc/12/68/63/931126863.db2.gz RXYRIIAZLXGBNW-LLVKDONJSA-N 1 2 296.396 0.867 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccns1 ZINC001449329007 931126870 /nfs/dbraw/zinc/12/68/70/931126870.db2.gz RXYRIIAZLXGBNW-LLVKDONJSA-N 1 2 296.396 0.867 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC001451125064 931385393 /nfs/dbraw/zinc/38/53/93/931385393.db2.gz RENPCSMSORZHBG-KOLCDFICSA-N 1 2 291.355 0.431 20 30 CCEDLO Cn1nccc1C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001377138759 931400559 /nfs/dbraw/zinc/40/05/59/931400559.db2.gz JAEYMHNLGKHSLS-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001377138759 931400567 /nfs/dbraw/zinc/40/05/67/931400567.db2.gz JAEYMHNLGKHSLS-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377151400 931407836 /nfs/dbraw/zinc/40/78/36/931407836.db2.gz QGMBZIRAFHXBAP-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377151400 931407840 /nfs/dbraw/zinc/40/78/40/931407840.db2.gz QGMBZIRAFHXBAP-NSHDSACASA-N 1 2 276.764 0.592 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001451473427 931440136 /nfs/dbraw/zinc/44/01/36/931440136.db2.gz ZNQPEOMYYWTDGC-ZYHUDNBSSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H]1OCC[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000092369088 349491422 /nfs/dbraw/zinc/49/14/22/349491422.db2.gz URYYPFKDSSOQGA-ZIAGYGMSSA-N 1 2 295.383 0.486 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000407981721 260147016 /nfs/dbraw/zinc/14/70/16/260147016.db2.gz VGMDTDPCVWTPKZ-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599589452 361754929 /nfs/dbraw/zinc/75/49/29/361754929.db2.gz ZFKNNYMGKJAKBC-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599589452 361754934 /nfs/dbraw/zinc/75/49/34/361754934.db2.gz ZFKNNYMGKJAKBC-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO CCOC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620850 361761488 /nfs/dbraw/zinc/76/14/88/361761488.db2.gz VXWNQPCPBXHGBS-CHWSQXEVSA-N 1 2 283.372 0.484 20 30 CCEDLO CCOC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599620850 361761491 /nfs/dbraw/zinc/76/14/91/361761491.db2.gz VXWNQPCPBXHGBS-CHWSQXEVSA-N 1 2 283.372 0.484 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599695392 361791186 /nfs/dbraw/zinc/79/11/86/361791186.db2.gz YANHYMGBNMJDBL-AWEZNQCLSA-N 1 2 283.372 0.486 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000599695392 361791191 /nfs/dbraw/zinc/79/11/91/361791191.db2.gz YANHYMGBNMJDBL-AWEZNQCLSA-N 1 2 283.372 0.486 20 30 CCEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@H](C)COC ZINC000617578135 365685942 /nfs/dbraw/zinc/68/59/42/365685942.db2.gz CVYAXANZAVONJT-ZIAGYGMSSA-N 1 2 283.416 0.672 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C(C)(C)C#N ZINC000600233388 361897942 /nfs/dbraw/zinc/89/79/42/361897942.db2.gz XYLVGQDSDJIYRB-HNNXBMFYSA-N 1 2 295.383 0.268 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C(C)(C)C#N ZINC000600233388 361897947 /nfs/dbraw/zinc/89/79/47/361897947.db2.gz XYLVGQDSDJIYRB-HNNXBMFYSA-N 1 2 295.383 0.268 20 30 CCEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330281433 529434159 /nfs/dbraw/zinc/43/41/59/529434159.db2.gz UQNDCOQXASWTCR-RISCZKNCSA-N 1 2 278.356 0.959 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000103148163 349691156 /nfs/dbraw/zinc/69/11/56/349691156.db2.gz UNRPMIQRCOXVFJ-ZDUSSCGKSA-N 1 2 260.293 0.932 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000103148163 349691158 /nfs/dbraw/zinc/69/11/58/349691158.db2.gz UNRPMIQRCOXVFJ-ZDUSSCGKSA-N 1 2 260.293 0.932 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[S@](=O)C2)c[nH+]1 ZINC000329985461 529778910 /nfs/dbraw/zinc/77/89/10/529778910.db2.gz DGTUNHXQIXVPHS-GIPWTMENSA-N 1 2 296.396 0.672 20 30 CCEDLO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330283926 529819512 /nfs/dbraw/zinc/81/95/12/529819512.db2.gz WTXQYDPXGXKVAX-LLVKDONJSA-N 1 2 289.401 0.319 20 30 CCEDLO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330283926 529819513 /nfs/dbraw/zinc/81/95/13/529819513.db2.gz WTXQYDPXGXKVAX-LLVKDONJSA-N 1 2 289.401 0.319 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C(N)=O ZINC000451137418 529837919 /nfs/dbraw/zinc/83/79/19/529837919.db2.gz UFFGFWFNTQATHO-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C(N)=O ZINC000451137418 529837920 /nfs/dbraw/zinc/83/79/20/529837920.db2.gz UFFGFWFNTQATHO-UHFFFAOYSA-N 1 2 274.324 0.692 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352288255 529869976 /nfs/dbraw/zinc/86/99/76/529869976.db2.gz YSZQEFRJYXCJOQ-NSHDSACASA-N 1 2 297.384 0.551 20 30 CCEDLO CN(CC(C)(C)C#N)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601421981 362266535 /nfs/dbraw/zinc/26/65/35/362266535.db2.gz NPWMNRKUOROWGS-NSHDSACASA-N 1 2 289.401 0.128 20 30 CCEDLO CN(CC(C)(C)C#N)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601421981 362266538 /nfs/dbraw/zinc/26/65/38/362266538.db2.gz NPWMNRKUOROWGS-NSHDSACASA-N 1 2 289.401 0.128 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000601470517 362283586 /nfs/dbraw/zinc/28/35/86/362283586.db2.gz IRZVTNKILCJINY-SNVBAGLBSA-N 1 2 285.373 0.471 20 30 CCEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CNc1ccc(C#N)cn1 ZINC000601604895 362323204 /nfs/dbraw/zinc/32/32/04/362323204.db2.gz HZPFHZHBLKWTDU-LLVKDONJSA-N 1 2 298.350 0.881 20 30 CCEDLO CCN1CC[NH+](CCC(=O)Nc2n[nH]cc2C#N)CC1 ZINC000601641083 362337777 /nfs/dbraw/zinc/33/77/77/362337777.db2.gz NUHZDBFILJAMFH-UHFFFAOYSA-N 1 2 276.344 0.247 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)c2ccc(C[NH+](C)C)nc2)c1C#N ZINC000601678066 362351325 /nfs/dbraw/zinc/35/13/25/362351325.db2.gz BSHJRKIRCUXRSA-UHFFFAOYSA-N 1 2 284.323 0.721 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1C#N ZINC000601679652 362352559 /nfs/dbraw/zinc/35/25/59/362352559.db2.gz MOCYPTIBEDUSHB-SNVBAGLBSA-N 1 2 284.323 0.718 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601730070 362368671 /nfs/dbraw/zinc/36/86/71/362368671.db2.gz UOIZLEVEXFAXDO-UHFFFAOYSA-N 1 2 259.309 0.950 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000601789001 362394008 /nfs/dbraw/zinc/39/40/08/362394008.db2.gz ZQXNJZVHVSTKDE-LLVKDONJSA-N 1 2 265.313 0.587 20 30 CCEDLO N#CCC[C@@H](C#N)C[NH2+]C1CN(c2ccncn2)C1 ZINC000601968272 362441427 /nfs/dbraw/zinc/44/14/27/362441427.db2.gz JMORZUWUIGUZBB-NSHDSACASA-N 1 2 256.313 0.698 20 30 CCEDLO C[N@@H+]1CCCC[C@H]1C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000602103066 362489491 /nfs/dbraw/zinc/48/94/91/362489491.db2.gz URHBCFXEHPSPOC-NSHDSACASA-N 1 2 261.329 0.641 20 30 CCEDLO C[N@H+]1CCCC[C@H]1C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000602103066 362489492 /nfs/dbraw/zinc/48/94/92/362489492.db2.gz URHBCFXEHPSPOC-NSHDSACASA-N 1 2 261.329 0.641 20 30 CCEDLO CCc1c[nH]c(CC(=O)N(CC#N)CCOC)[nH+]1 ZINC000602156774 362531841 /nfs/dbraw/zinc/53/18/41/362531841.db2.gz APEGBFIFPPXNOA-UHFFFAOYSA-N 1 2 250.302 0.513 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)[C@@H](C)O1 ZINC000602336769 362590389 /nfs/dbraw/zinc/59/03/89/362590389.db2.gz ZYBJLNSXZHQZQI-DCQANWLSSA-N 1 2 253.346 0.760 20 30 CCEDLO COCC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)C(N)=O ZINC000602460065 362628491 /nfs/dbraw/zinc/62/84/91/362628491.db2.gz AKODAWIIXDRHPT-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)C(N)=O ZINC000602460065 362628499 /nfs/dbraw/zinc/62/84/99/362628499.db2.gz AKODAWIIXDRHPT-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602370435 362599520 /nfs/dbraw/zinc/59/95/20/362599520.db2.gz DOBGRLDCYVMSCV-WDEREUQCSA-N 1 2 254.334 0.118 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602370435 362599525 /nfs/dbraw/zinc/59/95/25/362599525.db2.gz DOBGRLDCYVMSCV-WDEREUQCSA-N 1 2 254.334 0.118 20 30 CCEDLO C[N@H+](Cc1cccc(C#N)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000602670965 362741075 /nfs/dbraw/zinc/74/10/75/362741075.db2.gz IGIWVGOCOQHYTR-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000602670965 362741079 /nfs/dbraw/zinc/74/10/79/362741079.db2.gz IGIWVGOCOQHYTR-ZDUSSCGKSA-N 1 2 294.380 0.419 20 30 CCEDLO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000602734176 362775026 /nfs/dbraw/zinc/77/50/26/362775026.db2.gz FJJJTMBXTIFRGI-VXGBXAGGSA-N 1 2 289.401 0.176 20 30 CCEDLO C[C@H](CCC#N)C[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000602734176 362775029 /nfs/dbraw/zinc/77/50/29/362775029.db2.gz FJJJTMBXTIFRGI-VXGBXAGGSA-N 1 2 289.401 0.176 20 30 CCEDLO CCCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848199 362836124 /nfs/dbraw/zinc/83/61/24/362836124.db2.gz FLALTDNMCPDSEA-RYUDHWBXSA-N 1 2 252.362 0.431 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H](C)N1CC#N ZINC000602853994 362840430 /nfs/dbraw/zinc/84/04/30/362840430.db2.gz NGBCDVMWSIGVPB-BETUJISGSA-N 1 2 278.400 0.773 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H](C)N1CC#N ZINC000602853994 362840433 /nfs/dbraw/zinc/84/04/33/362840433.db2.gz NGBCDVMWSIGVPB-BETUJISGSA-N 1 2 278.400 0.773 20 30 CCEDLO Cc1cc(C#N)cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000342511441 137098441 /nfs/dbraw/zinc/09/84/41/137098441.db2.gz NIBUYPZDUUDYBH-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000339354537 215115460 /nfs/dbraw/zinc/11/54/60/215115460.db2.gz NDRRPZQHGIIXDW-LBPRGKRZSA-N 1 2 265.288 0.629 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000339354537 215115462 /nfs/dbraw/zinc/11/54/62/215115462.db2.gz NDRRPZQHGIIXDW-LBPRGKRZSA-N 1 2 265.288 0.629 20 30 CCEDLO N#Cc1cccc(OCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000034674228 348151324 /nfs/dbraw/zinc/15/13/24/348151324.db2.gz RVAJDJSDEYRXLY-UHFFFAOYSA-N 1 2 259.309 0.759 20 30 CCEDLO N#Cc1cccc(OCCC[N@H+]2CCNC(=O)C2)c1 ZINC000034674228 348151328 /nfs/dbraw/zinc/15/13/28/348151328.db2.gz RVAJDJSDEYRXLY-UHFFFAOYSA-N 1 2 259.309 0.759 20 30 CCEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000045915518 348345694 /nfs/dbraw/zinc/34/56/94/348345694.db2.gz QBYIRUMHTFJQQU-CYBMUJFWSA-N 1 2 266.389 0.822 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602974344 362915768 /nfs/dbraw/zinc/91/57/68/362915768.db2.gz MUEOQLQOQUXFOF-ZIAGYGMSSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602974344 362915771 /nfs/dbraw/zinc/91/57/71/362915771.db2.gz MUEOQLQOQUXFOF-ZIAGYGMSSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602974343 362915960 /nfs/dbraw/zinc/91/59/60/362915960.db2.gz MUEOQLQOQUXFOF-UONOGXRCSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602974343 362915965 /nfs/dbraw/zinc/91/59/65/362915965.db2.gz MUEOQLQOQUXFOF-UONOGXRCSA-N 1 2 292.383 0.301 20 30 CCEDLO Cn1c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc(=O)n(C)c1=O ZINC000602976436 362918029 /nfs/dbraw/zinc/91/80/29/362918029.db2.gz POZIXJUEJMIQQB-CMPLNLGQSA-N 1 2 276.340 0.208 20 30 CCEDLO Cn1c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc(=O)n(C)c1=O ZINC000602976436 362918035 /nfs/dbraw/zinc/91/80/35/362918035.db2.gz POZIXJUEJMIQQB-CMPLNLGQSA-N 1 2 276.340 0.208 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000066316309 348739398 /nfs/dbraw/zinc/73/93/98/348739398.db2.gz UUILKZNIEWZFRA-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459989 348774713 /nfs/dbraw/zinc/77/47/13/348774713.db2.gz YBPPLXMJLZRDHO-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459989 348774715 /nfs/dbraw/zinc/77/47/15/348774715.db2.gz YBPPLXMJLZRDHO-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000075637121 349043663 /nfs/dbraw/zinc/04/36/63/349043663.db2.gz KAERCWNCFPPFNY-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000075637121 349043666 /nfs/dbraw/zinc/04/36/66/349043666.db2.gz KAERCWNCFPPFNY-AAEUAGOBSA-N 1 2 289.335 0.118 20 30 CCEDLO Cc1nc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000076281439 349077422 /nfs/dbraw/zinc/07/74/22/349077422.db2.gz LWMIEODMNNLHQI-NSHDSACASA-N 1 2 288.351 0.712 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000081512235 349270537 /nfs/dbraw/zinc/27/05/37/349270537.db2.gz DOVAHSGPTVKSRJ-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000081512235 349270540 /nfs/dbraw/zinc/27/05/40/349270540.db2.gz DOVAHSGPTVKSRJ-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1C[N@H+](C)CCO1 ZINC000125999137 350135881 /nfs/dbraw/zinc/13/58/81/350135881.db2.gz SHGDPCZOKNXANX-VXGBXAGGSA-N 1 2 289.401 0.319 20 30 CCEDLO C[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1C[N@@H+](C)CCO1 ZINC000125999137 350135882 /nfs/dbraw/zinc/13/58/82/350135882.db2.gz SHGDPCZOKNXANX-VXGBXAGGSA-N 1 2 289.401 0.319 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603087742 362956815 /nfs/dbraw/zinc/95/68/15/362956815.db2.gz ONQPXEDDUJBOPD-JSGCOSHPSA-N 1 2 292.360 0.399 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603087742 362956820 /nfs/dbraw/zinc/95/68/20/362956820.db2.gz ONQPXEDDUJBOPD-JSGCOSHPSA-N 1 2 292.360 0.399 20 30 CCEDLO Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ncc1C#N ZINC000603113602 362967523 /nfs/dbraw/zinc/96/75/23/362967523.db2.gz NQWQWGZLSPHJMC-UHFFFAOYSA-N 1 2 282.307 0.928 20 30 CCEDLO C=CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000154229769 350579334 /nfs/dbraw/zinc/57/93/34/350579334.db2.gz HQLNNRAPTPQLQR-UHFFFAOYSA-N 1 2 274.368 0.848 20 30 CCEDLO C=CCCCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603199767 362997109 /nfs/dbraw/zinc/99/71/09/362997109.db2.gz UEICUILXKCPUMC-NSHDSACASA-N 1 2 252.318 0.677 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000172817902 351011832 /nfs/dbraw/zinc/01/18/32/351011832.db2.gz VCUDXPZWVUXYFC-UHFFFAOYSA-N 1 2 263.385 0.842 20 30 CCEDLO C#CCN1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000172817902 351011835 /nfs/dbraw/zinc/01/18/35/351011835.db2.gz VCUDXPZWVUXYFC-UHFFFAOYSA-N 1 2 263.385 0.842 20 30 CCEDLO N#Cc1ccccc1OCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603210345 363002036 /nfs/dbraw/zinc/00/20/36/363002036.db2.gz CYVMMHDXXQGUAW-CQSZACIVSA-N 1 2 299.334 0.890 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000175594125 351136133 /nfs/dbraw/zinc/13/61/33/351136133.db2.gz ZOMXYKRTHOOXQQ-LLVKDONJSA-N 1 2 275.356 0.252 20 30 CCEDLO N#Cc1cccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)c1F ZINC000603236070 363016029 /nfs/dbraw/zinc/01/60/29/363016029.db2.gz MQNYPFFBOKHHMH-CYBMUJFWSA-N 1 2 287.298 0.998 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476663 351496928 /nfs/dbraw/zinc/49/69/28/351496928.db2.gz BNQILRSOKVQZIO-DRZSPHRISA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476663 351496931 /nfs/dbraw/zinc/49/69/31/351496931.db2.gz BNQILRSOKVQZIO-DRZSPHRISA-N 1 2 289.335 0.313 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000186067397 351475083 /nfs/dbraw/zinc/47/50/83/351475083.db2.gz ADKANQQCXSONCL-CYBMUJFWSA-N 1 2 272.352 0.931 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCN(CCC#N)CCC#N ZINC000192771559 351797270 /nfs/dbraw/zinc/79/72/70/351797270.db2.gz NYZLUTDUTSAYOY-CYBMUJFWSA-N 1 2 250.346 0.836 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCN(CCC#N)CCC#N ZINC000192771559 351797271 /nfs/dbraw/zinc/79/72/71/351797271.db2.gz NYZLUTDUTSAYOY-CYBMUJFWSA-N 1 2 250.346 0.836 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193218681 351817504 /nfs/dbraw/zinc/81/75/04/351817504.db2.gz MTYHZYVCBNQVPD-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216422338 351942033 /nfs/dbraw/zinc/94/20/33/351942033.db2.gz OSLCOGBVVJBEKX-ZIAGYGMSSA-N 1 2 273.336 0.802 20 30 CCEDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216422338 351942035 /nfs/dbraw/zinc/94/20/35/351942035.db2.gz OSLCOGBVVJBEKX-ZIAGYGMSSA-N 1 2 273.336 0.802 20 30 CCEDLO N#Cc1cnc(N2CC3(C2)CC(=O)NCC[NH2+]3)c(Cl)c1 ZINC000603416800 363120799 /nfs/dbraw/zinc/12/07/99/363120799.db2.gz SXUNILORMKYSAO-UHFFFAOYSA-N 1 2 291.742 0.275 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262070019 352575980 /nfs/dbraw/zinc/57/59/80/352575980.db2.gz RYQFEIXLGIVUSX-NSHDSACASA-N 1 2 284.385 0.272 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266772637 352718909 /nfs/dbraw/zinc/71/89/09/352718909.db2.gz QMYXTKFLOYPBEJ-GFCCVEGCSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267656842 352781699 /nfs/dbraw/zinc/78/16/99/352781699.db2.gz LYXDTFNCIOMZIZ-AWEZNQCLSA-N 1 2 284.331 0.774 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267656842 352781700 /nfs/dbraw/zinc/78/17/00/352781700.db2.gz LYXDTFNCIOMZIZ-AWEZNQCLSA-N 1 2 284.331 0.774 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nccc(N)n3)C2)nc1 ZINC000292205108 198202776 /nfs/dbraw/zinc/20/27/76/198202776.db2.gz OAXMAEUAPRAODC-LBPRGKRZSA-N 1 2 296.334 0.979 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nccc(N)n3)C2)nc1 ZINC000292205108 198202777 /nfs/dbraw/zinc/20/27/77/198202777.db2.gz OAXMAEUAPRAODC-LBPRGKRZSA-N 1 2 296.334 0.979 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000287376306 353641927 /nfs/dbraw/zinc/64/19/27/353641927.db2.gz OGDNZOICQJKFBZ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000287376306 353641929 /nfs/dbraw/zinc/64/19/29/353641929.db2.gz OGDNZOICQJKFBZ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCOC1 ZINC000290347905 353722472 /nfs/dbraw/zinc/72/24/72/353722472.db2.gz PVOFNLUUMNROOP-LBPRGKRZSA-N 1 2 295.364 0.448 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCOC1 ZINC000290347905 353722473 /nfs/dbraw/zinc/72/24/73/353722473.db2.gz PVOFNLUUMNROOP-LBPRGKRZSA-N 1 2 295.364 0.448 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000305098419 354129337 /nfs/dbraw/zinc/12/93/37/354129337.db2.gz WTWGOJRNWWKWTM-QWHCGFSZSA-N 1 2 271.382 0.436 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000305098419 354129340 /nfs/dbraw/zinc/12/93/40/354129340.db2.gz WTWGOJRNWWKWTM-QWHCGFSZSA-N 1 2 271.382 0.436 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)NCCCC)CC1 ZINC000607725559 363363985 /nfs/dbraw/zinc/36/39/85/363363985.db2.gz JNSHNEDKEVMZLS-UHFFFAOYSA-N 1 2 251.374 0.544 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c(F)c1 ZINC000330465093 354369372 /nfs/dbraw/zinc/36/93/72/354369372.db2.gz FWKYBEYFHOUANP-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(F)c1 ZINC000330465093 354369373 /nfs/dbraw/zinc/36/93/73/354369373.db2.gz FWKYBEYFHOUANP-LLVKDONJSA-N 1 2 283.328 0.560 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000332529037 354692163 /nfs/dbraw/zinc/69/21/63/354692163.db2.gz QIORNKYXYAULMH-UONOGXRCSA-N 1 2 286.335 0.498 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000332529037 354692166 /nfs/dbraw/zinc/69/21/66/354692166.db2.gz QIORNKYXYAULMH-UONOGXRCSA-N 1 2 286.335 0.498 20 30 CCEDLO N#CCNC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343541420 355774374 /nfs/dbraw/zinc/77/43/74/355774374.db2.gz GONKCNGKNHFOIZ-UHFFFAOYSA-N 1 2 283.291 0.242 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000346836349 355873180 /nfs/dbraw/zinc/87/31/80/355873180.db2.gz NQUWGKAPDRQIGT-UHFFFAOYSA-N 1 2 266.345 0.136 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000346836349 355873182 /nfs/dbraw/zinc/87/31/82/355873182.db2.gz NQUWGKAPDRQIGT-UHFFFAOYSA-N 1 2 266.345 0.136 20 30 CCEDLO C=CCOc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000349734989 355992856 /nfs/dbraw/zinc/99/28/56/355992856.db2.gz WOJKLBJQJRYUAI-UHFFFAOYSA-N 1 2 289.379 0.854 20 30 CCEDLO Cn1c(C#N)ccc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000351089660 356000564 /nfs/dbraw/zinc/00/05/64/356000564.db2.gz LHNBRUJRJRIWAJ-LBPRGKRZSA-N 1 2 284.323 0.619 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000332576803 283141047 /nfs/dbraw/zinc/14/10/47/283141047.db2.gz GOXZCFCUAPBCPR-LBPRGKRZSA-N 1 2 270.292 0.294 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000332576803 283141054 /nfs/dbraw/zinc/14/10/54/283141054.db2.gz GOXZCFCUAPBCPR-LBPRGKRZSA-N 1 2 270.292 0.294 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273761709 192296718 /nfs/dbraw/zinc/29/67/18/192296718.db2.gz YHVNQYOKQRUTPY-SFYZADRCSA-N 1 2 252.343 0.635 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2ccc(C#N)cn2)c[nH+]1 ZINC000560499577 291105535 /nfs/dbraw/zinc/10/55/35/291105535.db2.gz ZEGCOSZXYDFKRS-UHFFFAOYSA-N 1 2 268.280 0.394 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000609486502 363498896 /nfs/dbraw/zinc/49/88/96/363498896.db2.gz LKAPXZARFHWJPJ-AWEZNQCLSA-N 1 2 294.399 0.011 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000609539239 363503605 /nfs/dbraw/zinc/50/36/05/363503605.db2.gz WESZBIMKBFAVGS-ZDUSSCGKSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609620228 363509969 /nfs/dbraw/zinc/50/99/69/363509969.db2.gz LRGOQLPFKCLTBZ-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO N#C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000610130589 363538037 /nfs/dbraw/zinc/53/80/37/363538037.db2.gz XAEVAZGGYNPYIV-JTQLQIEISA-N 1 2 256.269 0.391 20 30 CCEDLO C=C[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)C(=O)OC ZINC000619699891 366325094 /nfs/dbraw/zinc/32/50/94/366325094.db2.gz IMFMMCAYGODMFD-GFCCVEGCSA-N 1 2 268.357 0.951 20 30 CCEDLO C=C[C@H]([NH2+]CC1CCN(C(C)=O)CC1)C(=O)OC ZINC000619701344 366325823 /nfs/dbraw/zinc/32/58/23/366325823.db2.gz GICHCSDAAZPTOC-LBPRGKRZSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000619716870 366334380 /nfs/dbraw/zinc/33/43/80/366334380.db2.gz WSXKKQFMGGRNCB-NWDGAFQWSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000619716870 366334387 /nfs/dbraw/zinc/33/43/87/366334387.db2.gz WSXKKQFMGGRNCB-NWDGAFQWSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000619718104 366338066 /nfs/dbraw/zinc/33/80/66/366338066.db2.gz YFFACGVLUNYMBZ-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000619718104 366338071 /nfs/dbraw/zinc/33/80/71/366338071.db2.gz YFFACGVLUNYMBZ-QWRGUYRKSA-N 1 2 267.329 0.204 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000619722000 366342959 /nfs/dbraw/zinc/34/29/59/366342959.db2.gz LDZSFBJRFIUGFF-LNFKQOIKSA-N 1 2 252.314 0.300 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000619722000 366342964 /nfs/dbraw/zinc/34/29/64/366342964.db2.gz LDZSFBJRFIUGFF-LNFKQOIKSA-N 1 2 252.314 0.300 20 30 CCEDLO CCN1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000619856068 366362426 /nfs/dbraw/zinc/36/24/26/366362426.db2.gz KRXAALULQVGOLU-STQMWFEESA-N 1 2 286.335 0.295 20 30 CCEDLO Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc[nH+]1 ZINC000360244540 356976134 /nfs/dbraw/zinc/97/61/34/356976134.db2.gz CJVHPZGWPYGHQG-VIFPVBQESA-N 1 2 256.269 0.475 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N=c2[nH]n(C)cc2C#N)c[nH+]1 ZINC000610527856 363572375 /nfs/dbraw/zinc/57/23/75/363572375.db2.gz SBOGIWZDBZQLTL-UHFFFAOYSA-N 1 2 299.338 0.496 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000367976689 357299431 /nfs/dbraw/zinc/29/94/31/357299431.db2.gz LSBAAXDQBGAUOL-UHFFFAOYSA-N 1 2 294.314 0.845 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367146410 357269269 /nfs/dbraw/zinc/26/92/69/357269269.db2.gz WEPTWQQMEOWCHP-CYBMUJFWSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367146410 357269277 /nfs/dbraw/zinc/26/92/77/357269277.db2.gz WEPTWQQMEOWCHP-CYBMUJFWSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000294525977 199073169 /nfs/dbraw/zinc/07/31/69/199073169.db2.gz PGJUVJKHXKNAQL-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000450014515 358254109 /nfs/dbraw/zinc/25/41/09/358254109.db2.gz BTUWDFXXYHNQNL-TYNCELHUSA-N 1 2 293.367 0.632 20 30 CCEDLO C=CCNC(=O)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450424415 358255917 /nfs/dbraw/zinc/25/59/17/358255917.db2.gz KOFUPOHTFUVSKH-UHFFFAOYSA-N 1 2 285.351 0.832 20 30 CCEDLO C[C@@H](O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463256 358256075 /nfs/dbraw/zinc/25/60/75/358256075.db2.gz NLGXYCVLYGPIKE-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C[C@@H](O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000450463256 358256078 /nfs/dbraw/zinc/25/60/78/358256078.db2.gz NLGXYCVLYGPIKE-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C[C@@H](O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450463256 358256082 /nfs/dbraw/zinc/25/60/82/358256082.db2.gz NLGXYCVLYGPIKE-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C=C(C)CC[NH+]=c1[nH]c2c(c(=O)[nH]c(=O)n2C)n1C ZINC000450708357 358257929 /nfs/dbraw/zinc/25/79/29/358257929.db2.gz CRFRAMVTTJMBPS-UHFFFAOYSA-N 1 2 263.301 0.173 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000562534673 291157526 /nfs/dbraw/zinc/15/75/26/291157526.db2.gz HBGLWAUSPGRUNX-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000562534673 291157527 /nfs/dbraw/zinc/15/75/27/291157527.db2.gz HBGLWAUSPGRUNX-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2ncncc2C#N)CCO1 ZINC000568860441 358710328 /nfs/dbraw/zinc/71/03/28/358710328.db2.gz QLSCYLDSXHAHKW-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2ncncc2C#N)CCO1 ZINC000568860441 358710330 /nfs/dbraw/zinc/71/03/30/358710330.db2.gz QLSCYLDSXHAHKW-LBPRGKRZSA-N 1 2 261.329 0.293 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc21 ZINC000573868704 359007649 /nfs/dbraw/zinc/00/76/49/359007649.db2.gz WXNYXIJPQYSGFP-CQSZACIVSA-N 1 2 286.339 0.542 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000610913737 363631451 /nfs/dbraw/zinc/63/14/51/363631451.db2.gz ZBHSDXNHAIFEOG-OWYJLGKBSA-N 1 2 277.368 0.859 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588975741 359355517 /nfs/dbraw/zinc/35/55/17/359355517.db2.gz JEJIFZHMGHQYTK-SECBINFHSA-N 1 2 292.364 0.756 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588975741 359355523 /nfs/dbraw/zinc/35/55/23/359355523.db2.gz JEJIFZHMGHQYTK-SECBINFHSA-N 1 2 292.364 0.756 20 30 CCEDLO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827774 359402784 /nfs/dbraw/zinc/40/27/84/359402784.db2.gz AXNIRCLOYZPRIL-MFKMUULPSA-N 1 2 298.412 0.258 20 30 CCEDLO CCC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827775 359403133 /nfs/dbraw/zinc/40/31/33/359403133.db2.gz AXNIRCLOYZPRIL-ZWNOBZJWSA-N 1 2 298.412 0.258 20 30 CCEDLO CN(C)[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H]1O ZINC000590599810 359496537 /nfs/dbraw/zinc/49/65/37/359496537.db2.gz QQIJOXWNXCQAPQ-GJZGRUSLSA-N 1 2 275.352 0.544 20 30 CCEDLO CN(C)[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H]1O ZINC000590599810 359496541 /nfs/dbraw/zinc/49/65/41/359496541.db2.gz QQIJOXWNXCQAPQ-GJZGRUSLSA-N 1 2 275.352 0.544 20 30 CCEDLO C#Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000297095481 200083691 /nfs/dbraw/zinc/08/36/91/200083691.db2.gz CLPVIPBJZVJKCM-UHFFFAOYSA-N 1 2 287.363 0.799 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000592080064 359751029 /nfs/dbraw/zinc/75/10/29/359751029.db2.gz LFGLCXXNEYZQEM-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000592080064 359751032 /nfs/dbraw/zinc/75/10/32/359751032.db2.gz LFGLCXXNEYZQEM-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000592071073 359746543 /nfs/dbraw/zinc/74/65/43/359746543.db2.gz YUOGVQWZLFINOV-AWEZNQCLSA-N 1 2 285.351 0.943 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000592071073 359746545 /nfs/dbraw/zinc/74/65/45/359746545.db2.gz YUOGVQWZLFINOV-AWEZNQCLSA-N 1 2 285.351 0.943 20 30 CCEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151610 359770690 /nfs/dbraw/zinc/77/06/90/359770690.db2.gz PUESFXQNKNPRBG-CQSZACIVSA-N 1 2 267.373 0.889 20 30 CCEDLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151610 359770693 /nfs/dbraw/zinc/77/06/93/359770693.db2.gz PUESFXQNKNPRBG-CQSZACIVSA-N 1 2 267.373 0.889 20 30 CCEDLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151418 359770734 /nfs/dbraw/zinc/77/07/34/359770734.db2.gz ORGDEUBKKKTJTN-ZDUSSCGKSA-N 1 2 251.330 0.205 20 30 CCEDLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151418 359770738 /nfs/dbraw/zinc/77/07/38/359770738.db2.gz ORGDEUBKKKTJTN-ZDUSSCGKSA-N 1 2 251.330 0.205 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592147443 359765399 /nfs/dbraw/zinc/76/53/99/359765399.db2.gz LYOVNYVGQFITFO-NFAWXSAZSA-N 1 2 279.384 0.841 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592147443 359765401 /nfs/dbraw/zinc/76/54/01/359765401.db2.gz LYOVNYVGQFITFO-NFAWXSAZSA-N 1 2 279.384 0.841 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000611216956 363684843 /nfs/dbraw/zinc/68/48/43/363684843.db2.gz HJYIDIMOXCJSEL-NSHDSACASA-N 1 2 281.312 0.203 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000611216956 363684848 /nfs/dbraw/zinc/68/48/48/363684848.db2.gz HJYIDIMOXCJSEL-NSHDSACASA-N 1 2 281.312 0.203 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000611229636 363688690 /nfs/dbraw/zinc/68/86/90/363688690.db2.gz QSCTYTILKATXFM-VHSXEESVSA-N 1 2 253.302 0.042 20 30 CCEDLO CO[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000593153365 360048451 /nfs/dbraw/zinc/04/84/51/360048451.db2.gz MRGKMXWQKIUFGH-PSASIEDQSA-N 1 2 281.278 0.914 20 30 CCEDLO CCCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000593154975 360048850 /nfs/dbraw/zinc/04/88/50/360048850.db2.gz SSKXENIXELIELP-GFCCVEGCSA-N 1 2 264.333 0.262 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000593065730 360026672 /nfs/dbraw/zinc/02/66/72/360026672.db2.gz ADHFWBYSSQNGCU-ZIAGYGMSSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000593065730 360026675 /nfs/dbraw/zinc/02/66/75/360026675.db2.gz ADHFWBYSSQNGCU-ZIAGYGMSSA-N 1 2 289.335 0.578 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097501 360036309 /nfs/dbraw/zinc/03/63/09/360036309.db2.gz MOUMOWUBYCABCF-BCVWFYPKSA-N 1 2 283.397 0.200 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097501 360036312 /nfs/dbraw/zinc/03/63/12/360036312.db2.gz MOUMOWUBYCABCF-BCVWFYPKSA-N 1 2 283.397 0.200 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000593389269 360075793 /nfs/dbraw/zinc/07/57/93/360075793.db2.gz PPGAFFAHLFLBCB-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1ncccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000594003440 360231581 /nfs/dbraw/zinc/23/15/81/360231581.db2.gz CRWYBWCUYMIFBR-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO N#Cc1ccc(C2([NH2+]Cc3nc(N)nc(N)n3)CCC2)cc1 ZINC000594032753 360240096 /nfs/dbraw/zinc/24/00/96/360240096.db2.gz OCWRZHNIPFDRAH-UHFFFAOYSA-N 1 2 295.350 0.737 20 30 CCEDLO COC[C@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000595335678 360498191 /nfs/dbraw/zinc/49/81/91/360498191.db2.gz XDLSOECCYQCRLD-AWEZNQCLSA-N 1 2 285.388 0.196 20 30 CCEDLO COC[C@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000595335678 360498194 /nfs/dbraw/zinc/49/81/94/360498194.db2.gz XDLSOECCYQCRLD-AWEZNQCLSA-N 1 2 285.388 0.196 20 30 CCEDLO COC[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000595335678 360498198 /nfs/dbraw/zinc/49/81/98/360498198.db2.gz XDLSOECCYQCRLD-AWEZNQCLSA-N 1 2 285.388 0.196 20 30 CCEDLO C=CCN(Cc1cn(C)c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000684836545 545747617 /nfs/dbraw/zinc/74/76/17/545747617.db2.gz YHNGGMQEYCDTPI-LBPRGKRZSA-N 1 2 269.370 0.595 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000595642333 360603057 /nfs/dbraw/zinc/60/30/57/360603057.db2.gz GIOGXFBHDRGGOC-MJBXVCDLSA-N 1 2 292.383 0.795 20 30 CCEDLO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C#N ZINC000595813480 360665567 /nfs/dbraw/zinc/66/55/67/360665567.db2.gz NEGCOKLJHDVQCE-KOLCDFICSA-N 1 2 267.289 0.386 20 30 CCEDLO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C#N ZINC000595813480 360665571 /nfs/dbraw/zinc/66/55/71/360665571.db2.gz NEGCOKLJHDVQCE-KOLCDFICSA-N 1 2 267.289 0.386 20 30 CCEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000595833288 360671179 /nfs/dbraw/zinc/67/11/79/360671179.db2.gz GBMWIBVHEAXQJC-HNNXBMFYSA-N 1 2 292.383 0.351 20 30 CCEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000595833288 360671182 /nfs/dbraw/zinc/67/11/82/360671182.db2.gz GBMWIBVHEAXQJC-HNNXBMFYSA-N 1 2 292.383 0.351 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834652 360672816 /nfs/dbraw/zinc/67/28/16/360672816.db2.gz KQLIUZJVNITLAZ-CQSZACIVSA-N 1 2 281.356 0.681 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834652 360672820 /nfs/dbraw/zinc/67/28/20/360672820.db2.gz KQLIUZJVNITLAZ-CQSZACIVSA-N 1 2 281.356 0.681 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1C ZINC000596232661 360846351 /nfs/dbraw/zinc/84/63/51/360846351.db2.gz RHCLIBHOTJWGFN-AAEUAGOBSA-N 1 2 275.356 0.591 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ncncc2C#N)[C@@H](C)CO1 ZINC000596426476 360890968 /nfs/dbraw/zinc/89/09/68/360890968.db2.gz AKDFWAJERBGNIT-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ncncc2C#N)[C@@H](C)CO1 ZINC000596426476 360890971 /nfs/dbraw/zinc/89/09/71/360890971.db2.gz AKDFWAJERBGNIT-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO N#CC1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000596586150 360924782 /nfs/dbraw/zinc/92/47/82/360924782.db2.gz DGLMCSGTFXXBHU-GFCCVEGCSA-N 1 2 278.356 0.406 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC#N)CC1 ZINC000596785234 360957121 /nfs/dbraw/zinc/95/71/21/360957121.db2.gz KNJWSVACMVNBFE-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC#N)CC1 ZINC000596785234 360957126 /nfs/dbraw/zinc/95/71/26/360957126.db2.gz KNJWSVACMVNBFE-GFCCVEGCSA-N 1 2 280.372 0.207 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)CC#N)[NH+]1CCN(C)CC1 ZINC000597233886 361037675 /nfs/dbraw/zinc/03/76/75/361037675.db2.gz BYRXPLCCAMAPEN-NWDGAFQWSA-N 1 2 252.362 0.288 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)[nH]1 ZINC000597706823 361203557 /nfs/dbraw/zinc/20/35/57/361203557.db2.gz JVBGMAUVRRXGFH-CYBMUJFWSA-N 1 2 288.351 0.823 20 30 CCEDLO C[C@@H](C(=O)N[C@H](C#N)CO)[N@@H+]1CCc2ccccc2C1 ZINC000597747708 361231923 /nfs/dbraw/zinc/23/19/23/361231923.db2.gz RODDYXKPOOFVTP-SMDDNHRTSA-N 1 2 273.336 0.434 20 30 CCEDLO C[C@@H](C(=O)N[C@H](C#N)CO)[N@H+]1CCc2ccccc2C1 ZINC000597747708 361231927 /nfs/dbraw/zinc/23/19/27/361231927.db2.gz RODDYXKPOOFVTP-SMDDNHRTSA-N 1 2 273.336 0.434 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597755011 361235759 /nfs/dbraw/zinc/23/57/59/361235759.db2.gz KXJKOTNKJZTFRW-GHMZBOCLSA-N 1 2 262.313 0.522 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000597772873 361239380 /nfs/dbraw/zinc/23/93/80/361239380.db2.gz PJCDRBQKNSJROO-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000597772873 361239388 /nfs/dbraw/zinc/23/93/88/361239388.db2.gz PJCDRBQKNSJROO-AWEZNQCLSA-N 1 2 271.320 0.778 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000597992798 361300884 /nfs/dbraw/zinc/30/08/84/361300884.db2.gz CXBQMJNFQOITGN-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000597992798 361300887 /nfs/dbraw/zinc/30/08/87/361300887.db2.gz CXBQMJNFQOITGN-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO CC(C)(CNc1ncncc1C#N)[NH+]1CCOCC1 ZINC000564239884 291272060 /nfs/dbraw/zinc/27/20/60/291272060.db2.gz OVXJEZBQEZFFGI-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598602947 361456167 /nfs/dbraw/zinc/45/61/67/361456167.db2.gz DDGNSNXINVASRB-LLVKDONJSA-N 1 2 253.346 0.451 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598602947 361456170 /nfs/dbraw/zinc/45/61/70/361456170.db2.gz DDGNSNXINVASRB-LLVKDONJSA-N 1 2 253.346 0.451 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946552 361537499 /nfs/dbraw/zinc/53/74/99/361537499.db2.gz GJGCSRFAJRHBGW-SNVBAGLBSA-N 1 2 269.308 0.838 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302058054 201325747 /nfs/dbraw/zinc/32/57/47/201325747.db2.gz ARGGWICESDZQLD-UHFFFAOYSA-N 1 2 298.350 0.074 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167685 363859005 /nfs/dbraw/zinc/85/90/05/363859005.db2.gz UPEDBIBCCPFROV-BXKDBHETSA-N 1 2 252.318 0.456 20 30 CCEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167685 363859007 /nfs/dbraw/zinc/85/90/07/363859007.db2.gz UPEDBIBCCPFROV-BXKDBHETSA-N 1 2 252.318 0.456 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573659 363961355 /nfs/dbraw/zinc/96/13/55/363961355.db2.gz ZTOSRRJITIMWBN-NXEZZACHSA-N 1 2 276.344 0.270 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573659 363961359 /nfs/dbraw/zinc/96/13/59/363961359.db2.gz ZTOSRRJITIMWBN-NXEZZACHSA-N 1 2 276.344 0.270 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000614182200 364523257 /nfs/dbraw/zinc/52/32/57/364523257.db2.gz HBHLAIUMBCNUDQ-TZMCWYRMSA-N 1 2 262.309 0.998 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)OCC ZINC000614503012 364632052 /nfs/dbraw/zinc/63/20/52/364632052.db2.gz MUTRUJSHFAHRHU-LSDHHAIUSA-N 1 2 295.427 0.864 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)OCC ZINC000614503012 364632060 /nfs/dbraw/zinc/63/20/60/364632060.db2.gz MUTRUJSHFAHRHU-LSDHHAIUSA-N 1 2 295.427 0.864 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615521222 364992075 /nfs/dbraw/zinc/99/20/75/364992075.db2.gz RJBFWDXURBQIQM-CMPLNLGQSA-N 1 2 265.292 0.919 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC000615629922 365026631 /nfs/dbraw/zinc/02/66/31/365026631.db2.gz XKTIEZILWUAASF-ZDUSSCGKSA-N 1 2 292.270 0.493 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn[nH]c1 ZINC000615791234 365091564 /nfs/dbraw/zinc/09/15/64/365091564.db2.gz SLWXNBQVIIWCHX-SNVBAGLBSA-N 1 2 261.329 0.792 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000615791234 365091567 /nfs/dbraw/zinc/09/15/67/365091567.db2.gz SLWXNBQVIIWCHX-SNVBAGLBSA-N 1 2 261.329 0.792 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000615825442 365097533 /nfs/dbraw/zinc/09/75/33/365097533.db2.gz QMGRDAOVCKBJPH-MFKMUULPSA-N 1 2 262.288 0.910 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000623402754 367555313 /nfs/dbraw/zinc/55/53/13/367555313.db2.gz YMGSDDDKKTURCQ-HNNXBMFYSA-N 1 2 287.363 0.668 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000623402754 367555314 /nfs/dbraw/zinc/55/53/14/367555314.db2.gz YMGSDDDKKTURCQ-HNNXBMFYSA-N 1 2 287.363 0.668 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333811 368151146 /nfs/dbraw/zinc/15/11/46/368151146.db2.gz MLCIFSKVLNXFAT-OLZOCXBDSA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333811 368151151 /nfs/dbraw/zinc/15/11/51/368151151.db2.gz MLCIFSKVLNXFAT-OLZOCXBDSA-N 1 2 280.368 0.969 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626082371 368434689 /nfs/dbraw/zinc/43/46/89/368434689.db2.gz WTMNTONRCCQKMZ-QWHCGFSZSA-N 1 2 295.383 0.152 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626082371 368434696 /nfs/dbraw/zinc/43/46/96/368434696.db2.gz WTMNTONRCCQKMZ-QWHCGFSZSA-N 1 2 295.383 0.152 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000574257000 335004387 /nfs/dbraw/zinc/00/43/87/335004387.db2.gz UARSNDJBZXMWDS-KGLIPLIRSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000574257000 335004389 /nfs/dbraw/zinc/00/43/89/335004389.db2.gz UARSNDJBZXMWDS-KGLIPLIRSA-N 1 2 268.357 0.945 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628824622 369409675 /nfs/dbraw/zinc/40/96/75/369409675.db2.gz ALXQRVJFFSRIEV-OAHLLOKOSA-N 1 2 292.383 0.795 20 30 CCEDLO C=CCC(C)(C)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632363895 371008353 /nfs/dbraw/zinc/00/83/53/371008353.db2.gz CWDNPEHAVAUPQZ-GFCCVEGCSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CCC(C)(C)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632363895 371008356 /nfs/dbraw/zinc/00/83/56/371008356.db2.gz CWDNPEHAVAUPQZ-GFCCVEGCSA-N 1 2 290.429 0.839 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632409789 371044385 /nfs/dbraw/zinc/04/43/85/371044385.db2.gz JWJWQLRTONKBLK-LLVKDONJSA-N 1 2 276.402 0.449 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632409789 371044390 /nfs/dbraw/zinc/04/43/90/371044390.db2.gz JWJWQLRTONKBLK-LLVKDONJSA-N 1 2 276.402 0.449 20 30 CCEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC#CCO ZINC000635900710 373075357 /nfs/dbraw/zinc/07/53/57/373075357.db2.gz RMNDHULNVGJQOV-VIFPVBQESA-N 1 2 275.230 0.489 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636229880 373473460 /nfs/dbraw/zinc/47/34/60/373473460.db2.gz SUIGGGCMQZFETP-HIFRSBDPSA-N 1 2 290.363 0.933 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636229880 373473470 /nfs/dbraw/zinc/47/34/70/373473470.db2.gz SUIGGGCMQZFETP-HIFRSBDPSA-N 1 2 290.363 0.933 20 30 CCEDLO C=CC(C)(C)CCNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000636953818 373840245 /nfs/dbraw/zinc/84/02/45/373840245.db2.gz CGXANRPZBNDIRB-UHFFFAOYSA-N 1 2 292.383 0.797 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H](C)COC ZINC000637440419 374154199 /nfs/dbraw/zinc/15/41/99/374154199.db2.gz KILDRGZLEIUOKW-STQMWFEESA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H](C)COC ZINC000637440419 374154208 /nfs/dbraw/zinc/15/42/08/374154208.db2.gz KILDRGZLEIUOKW-STQMWFEESA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCC1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCOCC1 ZINC000638413670 375011315 /nfs/dbraw/zinc/01/13/15/375011315.db2.gz CVRXPLLDJAZMTD-LBPRGKRZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)N(C)C)C1=O ZINC000685000736 545783187 /nfs/dbraw/zinc/78/31/87/545783187.db2.gz PZMCCMJHDOYGPC-NSHDSACASA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)N(C)C)C1=O ZINC000685000736 545783196 /nfs/dbraw/zinc/78/31/96/545783196.db2.gz PZMCCMJHDOYGPC-NSHDSACASA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621655 375865247 /nfs/dbraw/zinc/86/52/47/375865247.db2.gz CBXMPEGTMFUEFS-ZIAGYGMSSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621655 375865249 /nfs/dbraw/zinc/86/52/49/375865249.db2.gz CBXMPEGTMFUEFS-ZIAGYGMSSA-N 1 2 291.395 0.859 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000641084412 376756061 /nfs/dbraw/zinc/75/60/61/376756061.db2.gz KHUCSEYVUWGJAH-LBPRGKRZSA-N 1 2 254.334 0.466 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(C[N@H+](C)CCOC)nn1 ZINC000641084412 376756072 /nfs/dbraw/zinc/75/60/72/376756072.db2.gz KHUCSEYVUWGJAH-LBPRGKRZSA-N 1 2 254.334 0.466 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnn(C(C)(C)C)n2)nn1 ZINC000641092466 376768981 /nfs/dbraw/zinc/76/89/81/376768981.db2.gz MXESEIJLGSMSHH-UHFFFAOYSA-N 1 2 288.359 0.181 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CCO)C(C)(C)C2)C1=O ZINC000685004965 545784318 /nfs/dbraw/zinc/78/43/18/545784318.db2.gz ZQDZZDUBVBWDLF-ZDUSSCGKSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CCO)C(C)(C)C2)C1=O ZINC000685004965 545784323 /nfs/dbraw/zinc/78/43/23/545784323.db2.gz ZQDZZDUBVBWDLF-ZDUSSCGKSA-N 1 2 281.400 0.162 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCOCC(F)F)nn1 ZINC000641161257 376825738 /nfs/dbraw/zinc/82/57/38/376825738.db2.gz FRRWKJQDEVFUCR-UHFFFAOYSA-N 1 2 258.272 0.673 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000685003901 545785333 /nfs/dbraw/zinc/78/53/33/545785333.db2.gz RBJKOYUFASPTBT-STQMWFEESA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)[C@@H](C)C2)C1=O ZINC000685003901 545785341 /nfs/dbraw/zinc/78/53/41/545785341.db2.gz RBJKOYUFASPTBT-STQMWFEESA-N 1 2 251.374 0.799 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)c(Cl)c1 ZINC000514869650 249110023 /nfs/dbraw/zinc/11/00/23/249110023.db2.gz DDGSTXKTQOVHHN-CYBMUJFWSA-N 1 2 279.727 0.946 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCCNC2=O)nn1 ZINC000657305915 412957450 /nfs/dbraw/zinc/95/74/50/412957450.db2.gz NZNDDFHWYVPWEW-GFCCVEGCSA-N 1 2 263.345 0.613 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCc2n[nH]c(C)n2)nn1 ZINC000657423536 412986722 /nfs/dbraw/zinc/98/67/22/412986722.db2.gz ICNXYVHOIDTKIR-UHFFFAOYSA-N 1 2 261.333 0.613 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCc2nnc(C)[nH]2)nn1 ZINC000657423536 412986729 /nfs/dbraw/zinc/98/67/29/412986729.db2.gz ICNXYVHOIDTKIR-UHFFFAOYSA-N 1 2 261.333 0.613 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N(C)CC)nn1 ZINC000657447382 412992073 /nfs/dbraw/zinc/99/20/73/412992073.db2.gz XJXSIIDRRFTSJY-NSHDSACASA-N 1 2 265.361 0.811 20 30 CCEDLO O=C1NC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000156561789 296383887 /nfs/dbraw/zinc/38/38/87/296383887.db2.gz MUBGIQBDAIHZIH-AWEZNQCLSA-N 1 2 273.311 0.887 20 30 CCEDLO O=C1NC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000156561789 296383890 /nfs/dbraw/zinc/38/38/90/296383890.db2.gz MUBGIQBDAIHZIH-AWEZNQCLSA-N 1 2 273.311 0.887 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C)C1 ZINC000352603956 285324521 /nfs/dbraw/zinc/32/45/21/285324521.db2.gz QGZFQKSUEZYERT-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C)C1 ZINC000352603956 285324523 /nfs/dbraw/zinc/32/45/23/285324523.db2.gz QGZFQKSUEZYERT-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCC(=O)OC)Cc1ccccc1 ZINC000285810284 388800914 /nfs/dbraw/zinc/80/09/14/388800914.db2.gz UXDHPMRZRCOSDF-UHFFFAOYSA-N 1 2 274.320 0.411 20 30 CCEDLO C#CC[N@H+](CC(=O)NCC(=O)OC)Cc1ccccc1 ZINC000285810284 388800916 /nfs/dbraw/zinc/80/09/16/388800916.db2.gz UXDHPMRZRCOSDF-UHFFFAOYSA-N 1 2 274.320 0.411 20 30 CCEDLO CC#CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000283266911 388764088 /nfs/dbraw/zinc/76/40/88/388764088.db2.gz RIPZMPCPUGTLKS-JTQLQIEISA-N 1 2 251.355 0.645 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000184573920 388775918 /nfs/dbraw/zinc/77/59/18/388775918.db2.gz JWPRMGPRJUYJCM-XIKOKIGWSA-N 1 2 272.414 0.886 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000184573920 388775921 /nfs/dbraw/zinc/77/59/21/388775921.db2.gz JWPRMGPRJUYJCM-XIKOKIGWSA-N 1 2 272.414 0.886 20 30 CCEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccccc2)o1 ZINC000186790493 388852521 /nfs/dbraw/zinc/85/25/21/388852521.db2.gz SEGODIFHGUSTJE-UHFFFAOYSA-N 1 2 262.269 0.908 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000048048017 388885870 /nfs/dbraw/zinc/88/58/70/388885870.db2.gz MSUYHFVGCXLOLI-CQSZACIVSA-N 1 2 282.388 0.628 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000048048017 388885871 /nfs/dbraw/zinc/88/58/71/388885871.db2.gz MSUYHFVGCXLOLI-CQSZACIVSA-N 1 2 282.388 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000049238818 388918360 /nfs/dbraw/zinc/91/83/60/388918360.db2.gz FDKMLCUTLSQICQ-UHFFFAOYSA-N 1 2 268.361 0.192 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000049238818 388918361 /nfs/dbraw/zinc/91/83/61/388918361.db2.gz FDKMLCUTLSQICQ-UHFFFAOYSA-N 1 2 268.361 0.192 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000049238825 388918532 /nfs/dbraw/zinc/91/85/32/388918532.db2.gz XWAZKUNVYNHWQL-LBPRGKRZSA-N 1 2 282.388 0.438 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000049238825 388918534 /nfs/dbraw/zinc/91/85/34/388918534.db2.gz XWAZKUNVYNHWQL-LBPRGKRZSA-N 1 2 282.388 0.438 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000051534428 388926321 /nfs/dbraw/zinc/92/63/21/388926321.db2.gz OGROSUNJBISTJA-UHFFFAOYSA-N 1 2 252.767 0.706 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000051534428 388926323 /nfs/dbraw/zinc/92/63/23/388926323.db2.gz OGROSUNJBISTJA-UHFFFAOYSA-N 1 2 252.767 0.706 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(C)(C)C ZINC000291673165 388933242 /nfs/dbraw/zinc/93/32/42/388933242.db2.gz GTIVXBQEUHNKSF-STQMWFEESA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(C)(C)C ZINC000291673165 388933245 /nfs/dbraw/zinc/93/32/45/388933245.db2.gz GTIVXBQEUHNKSF-STQMWFEESA-N 1 2 290.367 0.621 20 30 CCEDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906442 388934040 /nfs/dbraw/zinc/93/40/40/388934040.db2.gz YLWCJPMWKBBTMJ-CYBMUJFWSA-N 1 2 295.383 0.926 20 30 CCEDLO COC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000575060323 335060689 /nfs/dbraw/zinc/06/06/89/335060689.db2.gz HBDNRVZWJJEQTA-CYBMUJFWSA-N 1 2 287.323 0.448 20 30 CCEDLO COC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000575060323 335060690 /nfs/dbraw/zinc/06/06/90/335060690.db2.gz HBDNRVZWJJEQTA-CYBMUJFWSA-N 1 2 287.323 0.448 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000066499583 388945269 /nfs/dbraw/zinc/94/52/69/388945269.db2.gz GYWYUGAYXDLLKU-CQSZACIVSA-N 1 2 279.384 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000066499583 388945270 /nfs/dbraw/zinc/94/52/70/388945270.db2.gz GYWYUGAYXDLLKU-CQSZACIVSA-N 1 2 279.384 0.643 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292411838 388949497 /nfs/dbraw/zinc/94/94/97/388949497.db2.gz ZNVVUGZXJAYYFF-WDEREUQCSA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292411838 388949500 /nfs/dbraw/zinc/94/95/00/388949500.db2.gz ZNVVUGZXJAYYFF-WDEREUQCSA-N 1 2 274.386 0.044 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000192221677 389028101 /nfs/dbraw/zinc/02/81/01/389028101.db2.gz WVQALCMSQDTHOJ-VXGBXAGGSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000192221677 389028105 /nfs/dbraw/zinc/02/81/05/389028105.db2.gz WVQALCMSQDTHOJ-VXGBXAGGSA-N 1 2 265.357 0.956 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1cccnc1 ZINC000191108388 389006409 /nfs/dbraw/zinc/00/64/09/389006409.db2.gz QBGQYDSLBFHYIQ-UHFFFAOYSA-N 1 2 262.313 0.170 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1cccnc1 ZINC000191108388 389006410 /nfs/dbraw/zinc/00/64/10/389006410.db2.gz QBGQYDSLBFHYIQ-UHFFFAOYSA-N 1 2 262.313 0.170 20 30 CCEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCC#N ZINC000191629022 389014311 /nfs/dbraw/zinc/01/43/11/389014311.db2.gz IXXLELIMJXEUBC-LBPRGKRZSA-N 1 2 290.342 0.976 20 30 CCEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCC#N ZINC000191629022 389014313 /nfs/dbraw/zinc/01/43/13/389014313.db2.gz IXXLELIMJXEUBC-LBPRGKRZSA-N 1 2 290.342 0.976 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCOC)CC2)C1=O ZINC000337142744 389047189 /nfs/dbraw/zinc/04/71/89/389047189.db2.gz XPUJARHJHBTWLJ-CYBMUJFWSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000337203149 389054387 /nfs/dbraw/zinc/05/43/87/389054387.db2.gz GBVIGHVFHWKJCC-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000337203149 389054389 /nfs/dbraw/zinc/05/43/89/389054389.db2.gz GBVIGHVFHWKJCC-QWHCGFSZSA-N 1 2 281.400 0.866 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000121317729 389147066 /nfs/dbraw/zinc/14/70/66/389147066.db2.gz YNZOXAHUCNQSLR-UHFFFAOYSA-N 1 2 295.343 0.608 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cn1 ZINC000107555425 389096122 /nfs/dbraw/zinc/09/61/22/389096122.db2.gz DGKNFRDGQCEPGB-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C=CC[N@H+](CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000108871214 389099053 /nfs/dbraw/zinc/09/90/53/389099053.db2.gz UQOKIXSSSCPVRG-GFCCVEGCSA-N 1 2 286.397 0.284 20 30 CCEDLO C=CC[N@@H+](CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000108871214 389099057 /nfs/dbraw/zinc/09/90/57/389099057.db2.gz UQOKIXSSSCPVRG-GFCCVEGCSA-N 1 2 286.397 0.284 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000111357239 389106264 /nfs/dbraw/zinc/10/62/64/389106264.db2.gz KCHJPXABFAHWID-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000111357239 389106265 /nfs/dbraw/zinc/10/62/65/389106265.db2.gz KCHJPXABFAHWID-AWEZNQCLSA-N 1 2 273.336 0.548 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355635996 389106602 /nfs/dbraw/zinc/10/66/02/389106602.db2.gz FWFGBZBTLLOOQW-UKRRQHHQSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355635996 389106605 /nfs/dbraw/zinc/10/66/05/389106605.db2.gz FWFGBZBTLLOOQW-UKRRQHHQSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(F)c(F)c1 ZINC000121405618 389147866 /nfs/dbraw/zinc/14/78/66/389147866.db2.gz SUENVJVBFLYDJJ-ZETCQYMHSA-N 1 2 287.266 0.963 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCC)[C@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321892 389108213 /nfs/dbraw/zinc/10/82/13/389108213.db2.gz MLDGFLHUCUJDKV-RYUDHWBXSA-N 1 2 293.367 0.243 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCC)[C@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321892 389108216 /nfs/dbraw/zinc/10/82/16/389108216.db2.gz MLDGFLHUCUJDKV-RYUDHWBXSA-N 1 2 293.367 0.243 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000121407903 389148009 /nfs/dbraw/zinc/14/80/09/389148009.db2.gz QYQJUYXTMWZNSA-HNNXBMFYSA-N 1 2 291.351 0.925 20 30 CCEDLO COCC[N@H+](CCOCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000339052945 389123286 /nfs/dbraw/zinc/12/32/86/389123286.db2.gz DELGBRTVXHTGMB-GFCCVEGCSA-N 1 2 290.385 0.052 20 30 CCEDLO COCC[N@@H+](CCOCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000339052945 389123290 /nfs/dbraw/zinc/12/32/90/389123290.db2.gz DELGBRTVXHTGMB-GFCCVEGCSA-N 1 2 290.385 0.052 20 30 CCEDLO CCN1CC[N@H+](CCOCCC#N)C(C)(C)C1=O ZINC000339098396 389125503 /nfs/dbraw/zinc/12/55/03/389125503.db2.gz CPBGVJUHNAFYIK-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO CCN1CC[N@@H+](CCOCCC#N)C(C)(C)C1=O ZINC000339098396 389125505 /nfs/dbraw/zinc/12/55/05/389125505.db2.gz CPBGVJUHNAFYIK-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO CC(C)(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[NH+]1CCOCC1 ZINC000328689861 389132075 /nfs/dbraw/zinc/13/20/75/389132075.db2.gz QQIIZIUKFRKEFB-NSHDSACASA-N 1 2 295.383 0.817 20 30 CCEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000329689859 389188495 /nfs/dbraw/zinc/18/84/95/389188495.db2.gz CSMPNJTVAAEGRU-QWHCGFSZSA-N 1 2 285.388 0.589 20 30 CCEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329795729 389202524 /nfs/dbraw/zinc/20/25/24/389202524.db2.gz DCTZFJXEMFVTDG-RTXFEEFZSA-N 1 2 295.383 0.815 20 30 CCEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329795729 389202527 /nfs/dbraw/zinc/20/25/27/389202527.db2.gz DCTZFJXEMFVTDG-RTXFEEFZSA-N 1 2 295.383 0.815 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(CC)CC)CC1 ZINC000123551859 389157225 /nfs/dbraw/zinc/15/72/25/389157225.db2.gz QPOONYASDVCXRQ-UHFFFAOYSA-N 1 2 294.399 0.205 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)N(CC)CC)CC1 ZINC000123551859 389157227 /nfs/dbraw/zinc/15/72/27/389157227.db2.gz QPOONYASDVCXRQ-UHFFFAOYSA-N 1 2 294.399 0.205 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000329536389 389169688 /nfs/dbraw/zinc/16/96/88/389169688.db2.gz BDAHXMATYMOYLM-PSASIEDQSA-N 1 2 265.317 0.789 20 30 CCEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCOC1 ZINC000329544084 389170508 /nfs/dbraw/zinc/17/05/08/389170508.db2.gz OGNWWNFPRSTWJO-MNOVXSKESA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(N[C@H]1CCCOC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329544084 389170511 /nfs/dbraw/zinc/17/05/11/389170511.db2.gz OGNWWNFPRSTWJO-MNOVXSKESA-N 1 2 264.329 0.881 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330556650 389241047 /nfs/dbraw/zinc/24/10/47/389241047.db2.gz ZNKCRKLTVKVHJT-LLVKDONJSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](COC)OC(C)(C)C1 ZINC000330556650 389241050 /nfs/dbraw/zinc/24/10/50/389241050.db2.gz ZNKCRKLTVKVHJT-LLVKDONJSA-N 1 2 256.346 0.414 20 30 CCEDLO CN(CCO)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330565835 389241649 /nfs/dbraw/zinc/24/16/49/389241649.db2.gz GBZOGEVUBLTNBZ-UHFFFAOYSA-N 1 2 252.318 0.558 20 30 CCEDLO C[C@@H](CO)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330580023 389243143 /nfs/dbraw/zinc/24/31/43/389243143.db2.gz PRHXTAJSKCSNRB-NSHDSACASA-N 1 2 273.377 0.324 20 30 CCEDLO C[C@@H](CO)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330580023 389243145 /nfs/dbraw/zinc/24/31/45/389243145.db2.gz PRHXTAJSKCSNRB-NSHDSACASA-N 1 2 273.377 0.324 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000248576276 389246686 /nfs/dbraw/zinc/24/66/86/389246686.db2.gz PKMJDDRFOXSVIS-RDJZCZTQSA-N 1 2 299.374 0.884 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000248576276 389246687 /nfs/dbraw/zinc/24/66/87/389246687.db2.gz PKMJDDRFOXSVIS-RDJZCZTQSA-N 1 2 299.374 0.884 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(=O)n(C)c1 ZINC000330618721 389247364 /nfs/dbraw/zinc/24/73/64/389247364.db2.gz HPOHIFQXJSZROW-NSHDSACASA-N 1 2 279.340 0.411 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(=O)n(C)c1 ZINC000330618721 389247366 /nfs/dbraw/zinc/24/73/66/389247366.db2.gz HPOHIFQXJSZROW-NSHDSACASA-N 1 2 279.340 0.411 20 30 CCEDLO Cc1cnc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000330620483 389247398 /nfs/dbraw/zinc/24/73/98/389247398.db2.gz KLGNQOVLNSYXTE-NSHDSACASA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1cnc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000330620483 389247400 /nfs/dbraw/zinc/24/74/00/389247400.db2.gz KLGNQOVLNSYXTE-NSHDSACASA-N 1 2 264.329 0.810 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000253374901 389267356 /nfs/dbraw/zinc/26/73/56/389267356.db2.gz NWSXNCAZFXPXFH-UHFFFAOYSA-N 1 2 284.363 0.982 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ncc(C)o2)CC1 ZINC000330629701 389248380 /nfs/dbraw/zinc/24/83/80/389248380.db2.gz NKJNMRFGVAROAW-CYBMUJFWSA-N 1 2 292.383 0.964 20 30 CCEDLO N#C[C@@H]1CN(C([O-])=[NH+]CCCn2cc[nH+]c2)CCO1 ZINC000330641959 389248992 /nfs/dbraw/zinc/24/89/92/389248992.db2.gz DSEVPQYAPXNMPP-LLVKDONJSA-N 1 2 263.301 0.412 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000330641959 389248996 /nfs/dbraw/zinc/24/89/96/389248996.db2.gz DSEVPQYAPXNMPP-LLVKDONJSA-N 1 2 263.301 0.412 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000135011902 389251733 /nfs/dbraw/zinc/25/17/33/389251733.db2.gz HAHPXYCFAHUQTN-KGLIPLIRSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363718639 389252837 /nfs/dbraw/zinc/25/28/37/389252837.db2.gz MTCQTATZZONNBC-UHFFFAOYSA-N 1 2 264.329 0.919 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000249732675 389258720 /nfs/dbraw/zinc/25/87/20/389258720.db2.gz UTEKUMRNEOYXAX-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000249732675 389258721 /nfs/dbraw/zinc/25/87/21/389258721.db2.gz UTEKUMRNEOYXAX-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CN1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC1=O ZINC000329908038 389210495 /nfs/dbraw/zinc/21/04/95/389210495.db2.gz LJROZSBPRFQSAP-NSHDSACASA-N 1 2 281.356 0.286 20 30 CCEDLO CC#CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000361292032 389211307 /nfs/dbraw/zinc/21/13/07/389211307.db2.gz WPVDIJYSPJKHQK-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC000329945454 389213415 /nfs/dbraw/zinc/21/34/15/389213415.db2.gz FWULSDNWNBKITB-GDNZZTSVSA-N 1 2 283.372 0.246 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC000329945454 389213417 /nfs/dbraw/zinc/21/34/17/389213417.db2.gz FWULSDNWNBKITB-GDNZZTSVSA-N 1 2 283.372 0.246 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000342527184 389219727 /nfs/dbraw/zinc/21/97/27/389219727.db2.gz NTJFIZGJHBWPSM-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CO)CCC2 ZINC000330386744 389223757 /nfs/dbraw/zinc/22/37/57/389223757.db2.gz BGPFXLGROZAQTA-MNOVXSKESA-N 1 2 266.345 0.953 20 30 CCEDLO CC(C)[C@H](CO)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362339285 389233897 /nfs/dbraw/zinc/23/38/97/389233897.db2.gz JQDGWWDTTOEPOU-AWEZNQCLSA-N 1 2 297.399 0.325 20 30 CCEDLO CNC(=O)NCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330498265 389235432 /nfs/dbraw/zinc/23/54/32/389235432.db2.gz ABHSJWWOSLVVRP-SECBINFHSA-N 1 2 265.317 0.249 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000367104070 389321859 /nfs/dbraw/zinc/32/18/59/389321859.db2.gz WODAJXRWTZVCAD-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000367104070 389321860 /nfs/dbraw/zinc/32/18/60/389321860.db2.gz WODAJXRWTZVCAD-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000346990995 389343482 /nfs/dbraw/zinc/34/34/82/389343482.db2.gz WTCHBEWUJGTKEG-LBPRGKRZSA-N 1 2 290.367 0.739 20 30 CCEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000157683335 389332873 /nfs/dbraw/zinc/33/28/73/389332873.db2.gz IUJFGZDUFAUWHX-HNNXBMFYSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000157683335 389332875 /nfs/dbraw/zinc/33/28/75/389332875.db2.gz IUJFGZDUFAUWHX-HNNXBMFYSA-N 1 2 294.399 0.499 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000332085683 389333932 /nfs/dbraw/zinc/33/39/32/389333932.db2.gz FXWUZJMVKYUQHM-UHFFFAOYSA-N 1 2 284.323 0.567 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158405125 389341379 /nfs/dbraw/zinc/34/13/79/389341379.db2.gz JJRKSRKYJJUDOT-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158405125 389341381 /nfs/dbraw/zinc/34/13/81/389341381.db2.gz JJRKSRKYJJUDOT-LBPRGKRZSA-N 1 2 250.342 0.769 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)Cc1cnc(N(C)C)n1C ZINC000331238696 389301504 /nfs/dbraw/zinc/30/15/04/389301504.db2.gz JEPCCENUJVXICU-UHFFFAOYSA-N 1 2 282.392 0.394 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cnc(N(C)C)n1C ZINC000331238696 389301507 /nfs/dbraw/zinc/30/15/07/389301507.db2.gz JEPCCENUJVXICU-UHFFFAOYSA-N 1 2 282.392 0.394 20 30 CCEDLO CN(C)C(=O)NCCN(C)Cc1c[nH+]c(N(C)C)n1C ZINC000331238696 389301510 /nfs/dbraw/zinc/30/15/10/389301510.db2.gz JEPCCENUJVXICU-UHFFFAOYSA-N 1 2 282.392 0.394 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000368134454 389370638 /nfs/dbraw/zinc/37/06/38/389370638.db2.gz MFHDBGOFCDAQDJ-NSHDSACASA-N 1 2 283.335 0.916 20 30 CCEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000368134454 389370640 /nfs/dbraw/zinc/37/06/40/389370640.db2.gz MFHDBGOFCDAQDJ-NSHDSACASA-N 1 2 283.335 0.916 20 30 CCEDLO C=CCNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159876379 389376313 /nfs/dbraw/zinc/37/63/13/389376313.db2.gz QHNLMNSQXVDRKQ-LLVKDONJSA-N 1 2 258.387 0.743 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000349032226 389401606 /nfs/dbraw/zinc/40/16/06/389401606.db2.gz XEFDEOZNONCFNJ-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)CC#N ZINC000349371091 389413067 /nfs/dbraw/zinc/41/30/67/389413067.db2.gz XLTJHNZIQQRRFO-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)CC#N ZINC000349371091 389413072 /nfs/dbraw/zinc/41/30/72/389413072.db2.gz XLTJHNZIQQRRFO-LLVKDONJSA-N 1 2 268.361 0.203 20 30 CCEDLO N#CCCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159323964 389364464 /nfs/dbraw/zinc/36/44/64/389364464.db2.gz RQAIAYGUSCCSMD-LBPRGKRZSA-N 1 2 294.380 0.883 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000269581422 389424505 /nfs/dbraw/zinc/42/45/05/389424505.db2.gz KTKGMOXBOWQGAK-CYBMUJFWSA-N 1 2 258.281 0.993 20 30 CCEDLO CCN(CCC#N)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000271036357 389437480 /nfs/dbraw/zinc/43/74/80/389437480.db2.gz RQEWHTVXGDAOFT-UHFFFAOYSA-N 1 2 263.345 0.614 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372166955 389445412 /nfs/dbraw/zinc/44/54/12/389445412.db2.gz NIFDZXALSKMFQH-OLZOCXBDSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372166955 389445415 /nfs/dbraw/zinc/44/54/15/389445415.db2.gz NIFDZXALSKMFQH-OLZOCXBDSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274970398 389508215 /nfs/dbraw/zinc/50/82/15/389508215.db2.gz YCOSJRFYUDKRKX-UHFFFAOYSA-N 1 2 259.313 0.190 20 30 CCEDLO C#CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274970398 389508217 /nfs/dbraw/zinc/50/82/17/389508217.db2.gz YCOSJRFYUDKRKX-UHFFFAOYSA-N 1 2 259.313 0.190 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374104988 389546574 /nfs/dbraw/zinc/54/65/74/389546574.db2.gz HEGKCCCDWZBQQM-TXEJJXNPSA-N 1 2 251.330 0.612 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374104988 389546578 /nfs/dbraw/zinc/54/65/78/389546578.db2.gz HEGKCCCDWZBQQM-TXEJJXNPSA-N 1 2 251.330 0.612 20 30 CCEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)cn1 ZINC000278777192 389562011 /nfs/dbraw/zinc/56/20/11/389562011.db2.gz OXCWZJYWISAOPA-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)cn1 ZINC000278777192 389562014 /nfs/dbraw/zinc/56/20/14/389562014.db2.gz OXCWZJYWISAOPA-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000424697253 389629194 /nfs/dbraw/zinc/62/91/94/389629194.db2.gz OHSPUPUORLRZTL-UHFFFAOYSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCn1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)nn1 ZINC000424907967 389635139 /nfs/dbraw/zinc/63/51/39/389635139.db2.gz MFMCXUMGGJVVED-UHFFFAOYSA-N 1 2 274.328 0.781 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178141067 389598405 /nfs/dbraw/zinc/59/84/05/389598405.db2.gz WKBXVEUPTMKCEZ-SNVBAGLBSA-N 1 2 275.308 0.470 20 30 CCEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)NCC#N)CC1CC1 ZINC000425511327 389650918 /nfs/dbraw/zinc/65/09/18/389650918.db2.gz LKUNFHPZCHBTST-AWEZNQCLSA-N 1 2 281.356 0.680 20 30 CCEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)NCC#N)CC1CC1 ZINC000425511327 389650924 /nfs/dbraw/zinc/65/09/24/389650924.db2.gz LKUNFHPZCHBTST-AWEZNQCLSA-N 1 2 281.356 0.680 20 30 CCEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCNC1=O ZINC000282225971 389659497 /nfs/dbraw/zinc/65/94/97/389659497.db2.gz FGZFBNIUBNODAM-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCNC1=O ZINC000282225971 389659501 /nfs/dbraw/zinc/65/95/01/389659501.db2.gz FGZFBNIUBNODAM-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000351821037 389690719 /nfs/dbraw/zinc/69/07/19/389690719.db2.gz QHZMLEPALMBENQ-RISCZKNCSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000351821037 389690722 /nfs/dbraw/zinc/69/07/22/389690722.db2.gz QHZMLEPALMBENQ-RISCZKNCSA-N 1 2 294.376 0.645 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352372631 389799806 /nfs/dbraw/zinc/79/98/06/389799806.db2.gz UVTXMUAOXYTVAK-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352372631 389799809 /nfs/dbraw/zinc/79/98/09/389799809.db2.gz UVTXMUAOXYTVAK-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430256392 389789519 /nfs/dbraw/zinc/78/95/19/389789519.db2.gz KLLXLEDUSLFSAQ-YRGRVCCFSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430256392 389789520 /nfs/dbraw/zinc/78/95/20/389789520.db2.gz KLLXLEDUSLFSAQ-YRGRVCCFSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSCC#N ZINC000376188915 389730558 /nfs/dbraw/zinc/73/05/58/389730558.db2.gz ROMWGSCSCCYJMY-NWDGAFQWSA-N 1 2 283.397 0.565 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000416471212 389747197 /nfs/dbraw/zinc/74/71/97/389747197.db2.gz JVAHPHIGRGRSLP-GHMZBOCLSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000416471212 389747200 /nfs/dbraw/zinc/74/72/00/389747200.db2.gz JVAHPHIGRGRSLP-GHMZBOCLSA-N 1 2 289.401 0.005 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)Cn1cc[nH+]c1 ZINC000353009307 389844373 /nfs/dbraw/zinc/84/43/73/389844373.db2.gz IBYNLRPBKLEARE-JTQLQIEISA-N 1 2 252.343 0.892 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442646672 389852394 /nfs/dbraw/zinc/85/23/94/389852394.db2.gz HPPFHZGFHFFRNJ-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442646672 389852395 /nfs/dbraw/zinc/85/23/95/389852395.db2.gz HPPFHZGFHFFRNJ-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)CC(C)(C)C#N ZINC000433326837 389908739 /nfs/dbraw/zinc/90/87/39/389908739.db2.gz PRQFETNHSDSPQZ-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)CC(C)(C)C#N ZINC000433326837 389908740 /nfs/dbraw/zinc/90/87/40/389908740.db2.gz PRQFETNHSDSPQZ-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO C=C(C)COCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434284874 389928983 /nfs/dbraw/zinc/92/89/83/389928983.db2.gz CYAHOKUISVRAJK-AWEZNQCLSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446068025 389930213 /nfs/dbraw/zinc/93/02/13/389930213.db2.gz BVDSPBDUVYRDAY-GARJFASQSA-N 1 2 269.345 0.496 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446068025 389930214 /nfs/dbraw/zinc/93/02/14/389930214.db2.gz BVDSPBDUVYRDAY-GARJFASQSA-N 1 2 269.345 0.496 20 30 CCEDLO CC#CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434376453 389931655 /nfs/dbraw/zinc/93/16/55/389931655.db2.gz DLGYMEORRSJAND-CYBMUJFWSA-N 1 2 267.373 0.762 20 30 CCEDLO C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000448913918 389992077 /nfs/dbraw/zinc/99/20/77/389992077.db2.gz ANJGOCLULWNTQW-MNXVOIDGSA-N 1 2 265.357 0.762 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2cncc(C#N)n2)CC1 ZINC000420590999 390014377 /nfs/dbraw/zinc/01/43/77/390014377.db2.gz XMVRYBUZCUXKHH-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2cncc(C#N)n2)CC1 ZINC000420590999 390014378 /nfs/dbraw/zinc/01/43/78/390014378.db2.gz XMVRYBUZCUXKHH-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2csc(C)c2)CC1 ZINC000491779513 390116652 /nfs/dbraw/zinc/11/66/52/390116652.db2.gz HQTIQIGTOBDPSB-UHFFFAOYSA-N 1 2 291.420 0.924 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000491760071 390116744 /nfs/dbraw/zinc/11/67/44/390116744.db2.gz PDQOHPFNULZCBJ-MFKMUULPSA-N 1 2 266.366 0.780 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000491760071 390116745 /nfs/dbraw/zinc/11/67/45/390116745.db2.gz PDQOHPFNULZCBJ-MFKMUULPSA-N 1 2 266.366 0.780 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216202 390158557 /nfs/dbraw/zinc/15/85/57/390158557.db2.gz MZONXUQNLXMSIS-OCCSQVGLSA-N 1 2 297.399 0.333 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494216202 390158560 /nfs/dbraw/zinc/15/85/60/390158560.db2.gz MZONXUQNLXMSIS-OCCSQVGLSA-N 1 2 297.399 0.333 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CC1 ZINC000580111455 390221750 /nfs/dbraw/zinc/22/17/50/390221750.db2.gz KVBONBBKPXDHME-STQMWFEESA-N 1 2 292.383 0.795 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495865291 390258248 /nfs/dbraw/zinc/25/82/48/390258248.db2.gz AKSRCLYCCGRQIK-GFCCVEGCSA-N 1 2 296.371 0.521 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495865291 390258252 /nfs/dbraw/zinc/25/82/52/390258252.db2.gz AKSRCLYCCGRQIK-GFCCVEGCSA-N 1 2 296.371 0.521 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000648792753 390410858 /nfs/dbraw/zinc/41/08/58/390410858.db2.gz WLCKGLXWXADDLI-LLVKDONJSA-N 1 2 274.328 0.727 20 30 CCEDLO C=CCn1cc(C(=O)N2CCn3cc(C)[nH+]c3C2)nn1 ZINC000648858071 390425983 /nfs/dbraw/zinc/42/59/83/390425983.db2.gz FGTWWVRJYWAKCV-UHFFFAOYSA-N 1 2 272.312 0.625 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000645511583 390439028 /nfs/dbraw/zinc/43/90/28/390439028.db2.gz VNFIYZFOVKZXRF-GHMZBOCLSA-N 1 2 276.340 0.341 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000645511583 390439030 /nfs/dbraw/zinc/43/90/30/390439030.db2.gz VNFIYZFOVKZXRF-GHMZBOCLSA-N 1 2 276.340 0.341 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000564564359 390495565 /nfs/dbraw/zinc/49/55/65/390495565.db2.gz ORXKPTCCKGDPGI-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000564564359 390495567 /nfs/dbraw/zinc/49/55/67/390495567.db2.gz ORXKPTCCKGDPGI-IHRRRGAJSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000565228711 390500772 /nfs/dbraw/zinc/50/07/72/390500772.db2.gz HSEAXNHSYACVKF-NXEZZACHSA-N 1 2 264.329 0.882 20 30 CCEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc(N)c1OC ZINC000565228711 390500776 /nfs/dbraw/zinc/50/07/76/390500776.db2.gz HSEAXNHSYACVKF-NXEZZACHSA-N 1 2 264.329 0.882 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000519602951 390516157 /nfs/dbraw/zinc/51/61/57/390516157.db2.gz HSWILWKWTNCJQS-HNNXBMFYSA-N 1 2 288.351 0.288 20 30 CCEDLO Cn1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C(F)F ZINC000516476225 390482477 /nfs/dbraw/zinc/48/24/77/390482477.db2.gz PBWVZIOGCCCDII-GFCCVEGCSA-N 1 2 285.298 0.931 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000556673406 390484748 /nfs/dbraw/zinc/48/47/48/390484748.db2.gz XSDQNWZJRQLJHV-OKILXGFUSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000556673406 390484750 /nfs/dbraw/zinc/48/47/50/390484750.db2.gz XSDQNWZJRQLJHV-OKILXGFUSA-N 1 2 286.335 0.546 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649238539 390532574 /nfs/dbraw/zinc/53/25/74/390532574.db2.gz CQKPXAVVZOEGRL-VXGBXAGGSA-N 1 2 261.325 0.336 20 30 CCEDLO N#Cc1ccc(C[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000519826579 390550100 /nfs/dbraw/zinc/55/01/00/390550100.db2.gz RHQQQXUCIXOZDD-UHFFFAOYSA-N 1 2 260.253 0.574 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000566426759 390604042 /nfs/dbraw/zinc/60/40/42/390604042.db2.gz WPAHZLRPIXLPCV-IUODEOHRSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000566426759 390604044 /nfs/dbraw/zinc/60/40/44/390604044.db2.gz WPAHZLRPIXLPCV-IUODEOHRSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000525180620 390660355 /nfs/dbraw/zinc/66/03/55/390660355.db2.gz ZOCAZBBFBWOTNC-OLZOCXBDSA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000525180620 390660357 /nfs/dbraw/zinc/66/03/57/390660357.db2.gz ZOCAZBBFBWOTNC-OLZOCXBDSA-N 1 2 298.408 0.425 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000646645889 390702864 /nfs/dbraw/zinc/70/28/64/390702864.db2.gz MHAJIAOUUJQLER-LBPRGKRZSA-N 1 2 277.324 0.081 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000569110562 390715791 /nfs/dbraw/zinc/71/57/91/390715791.db2.gz IIDCUMFRFMPQAC-STQMWFEESA-N 1 2 282.384 0.805 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000570393432 390718650 /nfs/dbraw/zinc/71/86/50/390718650.db2.gz HNFBDQHDXLHVHC-OCCSQVGLSA-N 1 2 297.424 0.955 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000570393432 390718651 /nfs/dbraw/zinc/71/86/51/390718651.db2.gz HNFBDQHDXLHVHC-OCCSQVGLSA-N 1 2 297.424 0.955 20 30 CCEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000528615048 390761678 /nfs/dbraw/zinc/76/16/78/390761678.db2.gz ROKUINWAZBFKHB-RYUDHWBXSA-N 1 2 283.397 0.788 20 30 CCEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528615157 390761966 /nfs/dbraw/zinc/76/19/66/390761966.db2.gz WCEXAIVMHDSEOB-LLVKDONJSA-N 1 2 271.386 0.788 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528625205 390764013 /nfs/dbraw/zinc/76/40/13/390764013.db2.gz WXVGLWYZVDITGZ-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528625205 390764015 /nfs/dbraw/zinc/76/40/15/390764015.db2.gz WXVGLWYZVDITGZ-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC000528781501 390777451 /nfs/dbraw/zinc/77/74/51/390777451.db2.gz NOLBVWYEXDUMDP-FRRDWIJNSA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC000528781501 390777453 /nfs/dbraw/zinc/77/74/53/390777453.db2.gz NOLBVWYEXDUMDP-FRRDWIJNSA-N 1 2 298.408 0.425 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])o1 ZINC000572424234 390783301 /nfs/dbraw/zinc/78/33/01/390783301.db2.gz AGAYXAMUWHNUOO-UHFFFAOYSA-N 1 2 265.241 0.024 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(C#N)nc1 ZINC000528419450 390742053 /nfs/dbraw/zinc/74/20/53/390742053.db2.gz GLVZZDCHRBXOAJ-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(C#N)nc1 ZINC000528419450 390742055 /nfs/dbraw/zinc/74/20/55/390742055.db2.gz GLVZZDCHRBXOAJ-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000532327980 390879420 /nfs/dbraw/zinc/87/94/20/390879420.db2.gz JIROMYZPZRFDSC-LXVYMNJGSA-N 1 2 265.357 0.763 20 30 CCEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000532327980 390879423 /nfs/dbraw/zinc/87/94/23/390879423.db2.gz JIROMYZPZRFDSC-LXVYMNJGSA-N 1 2 265.357 0.763 20 30 CCEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ncc1C(N)=O ZINC000578365072 390880332 /nfs/dbraw/zinc/88/03/32/390880332.db2.gz VLOIZEFTHRXVEW-CQSZACIVSA-N 1 2 289.339 0.063 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1F ZINC000366759242 130216899 /nfs/dbraw/zinc/21/68/99/130216899.db2.gz QGDIUNSXPAMKEN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1F ZINC000366759242 130216902 /nfs/dbraw/zinc/21/69/02/130216902.db2.gz QGDIUNSXPAMKEN-KBPBESRZSA-N 1 2 289.310 0.787 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247281523 131102134 /nfs/dbraw/zinc/10/21/34/131102134.db2.gz XKMISVZNJSRMIV-OLZOCXBDSA-N 1 2 292.383 0.285 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247281523 131102135 /nfs/dbraw/zinc/10/21/35/131102135.db2.gz XKMISVZNJSRMIV-OLZOCXBDSA-N 1 2 292.383 0.285 20 30 CCEDLO COC[C@H](C)NC(=S)NN=Cc1[nH+]c[nH]c1C ZINC000755526334 581644006 /nfs/dbraw/zinc/64/40/06/581644006.db2.gz NIVQIUOMNRFBCT-ZETCQYMHSA-N 1 2 255.347 0.551 20 30 CCEDLO CCN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000034674248 397375996 /nfs/dbraw/zinc/37/59/96/397375996.db2.gz FSGNNKZMBZYEKT-OAHLLOKOSA-N 1 2 289.379 0.935 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(F)c1 ZINC000370251778 144295486 /nfs/dbraw/zinc/29/54/86/144295486.db2.gz LUOLHCMESLKLGL-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(F)c1 ZINC000370251778 144295488 /nfs/dbraw/zinc/29/54/88/144295488.db2.gz LUOLHCMESLKLGL-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO Cc1nsc(N2CC[NH+](CCO)CC2)c1C#N ZINC000408001590 144470632 /nfs/dbraw/zinc/47/06/32/144470632.db2.gz GUEFKYKHVJAFGL-UHFFFAOYSA-N 1 2 252.343 0.438 20 30 CCEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000659330501 413420479 /nfs/dbraw/zinc/42/04/79/413420479.db2.gz XNXSVUUORRHXNY-OLZOCXBDSA-N 1 2 279.384 0.669 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152694448 287131349 /nfs/dbraw/zinc/13/13/49/287131349.db2.gz VHCABTGDZAUWCL-SMDDNHRTSA-N 1 2 298.346 0.262 20 30 CCEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000152694448 287131353 /nfs/dbraw/zinc/13/13/53/287131353.db2.gz VHCABTGDZAUWCL-SMDDNHRTSA-N 1 2 298.346 0.262 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@@]2(C)CC)CC1 ZINC000490891237 411821353 /nfs/dbraw/zinc/82/13/53/411821353.db2.gz BIZDPNHPHVBHRE-MRXNPFEDSA-N 1 2 293.411 0.265 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@@]2(C)CC)CC1 ZINC000490891237 411821357 /nfs/dbraw/zinc/82/13/57/411821357.db2.gz BIZDPNHPHVBHRE-MRXNPFEDSA-N 1 2 293.411 0.265 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653000332 412188515 /nfs/dbraw/zinc/18/85/15/412188515.db2.gz AICFLAIBKDTYMQ-UHFFFAOYSA-N 1 2 270.373 0.760 20 30 CCEDLO N#Cc1cc(NCC[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-] ZINC000285507966 196308001 /nfs/dbraw/zinc/30/80/01/196308001.db2.gz FVPFECOKFXGKEE-UHFFFAOYSA-N 1 2 291.311 0.793 20 30 CCEDLO C=CCN(CC=C)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000660578620 414396905 /nfs/dbraw/zinc/39/69/05/414396905.db2.gz PRPBYCTUACJASG-UHFFFAOYSA-N 1 2 260.341 0.899 20 30 CCEDLO C=CCOCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660705890 414453317 /nfs/dbraw/zinc/45/33/17/414453317.db2.gz GSZPQDKJRARSHG-UONOGXRCSA-N 1 2 299.415 0.988 20 30 CCEDLO CC(=O)c1[nH]c(CC[N@@H+]2CC[C@](O)(CC#N)C2)nc1C ZINC000660901214 414524723 /nfs/dbraw/zinc/52/47/23/414524723.db2.gz VXJWRGFIWLEQFN-CQSZACIVSA-N 1 2 276.340 0.814 20 30 CCEDLO CC(=O)c1[nH]c(CC[N@H+]2CC[C@](O)(CC#N)C2)nc1C ZINC000660901214 414524727 /nfs/dbraw/zinc/52/47/27/414524727.db2.gz VXJWRGFIWLEQFN-CQSZACIVSA-N 1 2 276.340 0.814 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661564932 414642761 /nfs/dbraw/zinc/64/27/61/414642761.db2.gz GYSAZBCDYNATAD-LBPRGKRZSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662635951 414735971 /nfs/dbraw/zinc/73/59/71/414735971.db2.gz POLVGYXKBTYRQE-LBPRGKRZSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H](C)COC ZINC000663638731 415100824 /nfs/dbraw/zinc/10/08/24/415100824.db2.gz QWESJEWILPSHSQ-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665029282 415511275 /nfs/dbraw/zinc/51/12/75/415511275.db2.gz RZLWHHOTYHFBTK-DGAVXFQQSA-N 1 2 297.399 0.738 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665029282 415511280 /nfs/dbraw/zinc/51/12/80/415511280.db2.gz RZLWHHOTYHFBTK-DGAVXFQQSA-N 1 2 297.399 0.738 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331464736 228104757 /nfs/dbraw/zinc/10/47/57/228104757.db2.gz VLTVFJPYVAVLLM-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331464736 228104758 /nfs/dbraw/zinc/10/47/58/228104758.db2.gz VLTVFJPYVAVLLM-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000331611297 228114659 /nfs/dbraw/zinc/11/46/59/228114659.db2.gz FDPYECZMOVJGTN-NWDGAFQWSA-N 1 2 278.356 0.007 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330104615 228040192 /nfs/dbraw/zinc/04/01/92/228040192.db2.gz HDIOYFSERAVPLY-SNVBAGLBSA-N 1 2 265.317 0.442 20 30 CCEDLO Cc1nnccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330104615 228040194 /nfs/dbraw/zinc/04/01/94/228040194.db2.gz HDIOYFSERAVPLY-SNVBAGLBSA-N 1 2 265.317 0.442 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623295126 419412321 /nfs/dbraw/zinc/41/23/21/419412321.db2.gz ZCOCFGSFKVAOEJ-VIFPVBQESA-N 1 2 261.329 0.108 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623295126 419412325 /nfs/dbraw/zinc/41/23/25/419412325.db2.gz ZCOCFGSFKVAOEJ-VIFPVBQESA-N 1 2 261.329 0.108 20 30 CCEDLO C=CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190319616 544794306 /nfs/dbraw/zinc/79/43/06/544794306.db2.gz DRITUVUNERJSJE-UHFFFAOYSA-N 1 2 281.381 0.642 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(O)CCSC1 ZINC000328942834 545020280 /nfs/dbraw/zinc/02/02/80/545020280.db2.gz FQEBUDAGSZGSNQ-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(O)CCSC1 ZINC000328942834 545020282 /nfs/dbraw/zinc/02/02/82/545020282.db2.gz FQEBUDAGSZGSNQ-ZYHUDNBSSA-N 1 2 274.386 0.532 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329326548 545021669 /nfs/dbraw/zinc/02/16/69/545021669.db2.gz WTPIJGXFJPKKSM-SNVBAGLBSA-N 1 2 264.333 0.018 20 30 CCEDLO [O-]C(NCCn1cncn1)=[NH+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000329326548 545021670 /nfs/dbraw/zinc/02/16/70/545021670.db2.gz WTPIJGXFJPKKSM-SNVBAGLBSA-N 1 2 264.333 0.018 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C#N)CC1 ZINC000049092329 260203394 /nfs/dbraw/zinc/20/33/94/260203394.db2.gz SYSORUBKTJNFHG-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C#N)CC1 ZINC000049092329 260203396 /nfs/dbraw/zinc/20/33/96/260203396.db2.gz SYSORUBKTJNFHG-UHFFFAOYSA-N 1 2 280.372 0.159 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000408114614 260240479 /nfs/dbraw/zinc/24/04/79/260240479.db2.gz YMOXRPXEKRNIHO-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000408114614 260240481 /nfs/dbraw/zinc/24/04/81/260240481.db2.gz YMOXRPXEKRNIHO-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccccc1 ZINC000078640125 260301290 /nfs/dbraw/zinc/30/12/90/260301290.db2.gz KBVOEYAEUYVWTK-UHFFFAOYSA-N 1 2 292.339 0.246 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)NCCc1cccs1 ZINC000121422371 260710638 /nfs/dbraw/zinc/71/06/38/260710638.db2.gz OYXKPSGZCMGHJY-VIFPVBQESA-N 1 2 285.369 0.467 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000361109983 261161440 /nfs/dbraw/zinc/16/14/40/261161440.db2.gz OPXXEDROEBEYKL-VXGBXAGGSA-N 1 2 257.330 0.747 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1C ZINC000162023766 261266464 /nfs/dbraw/zinc/26/64/64/261266464.db2.gz CNXPOBLNNVTMML-NSHDSACASA-N 1 2 263.345 0.612 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000176643686 261303312 /nfs/dbraw/zinc/30/33/12/261303312.db2.gz FGFMFHCOCCYLHF-QWHCGFSZSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000176643686 261303314 /nfs/dbraw/zinc/30/33/14/261303314.db2.gz FGFMFHCOCCYLHF-QWHCGFSZSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000361825908 261397371 /nfs/dbraw/zinc/39/73/71/261397371.db2.gz ZJSKPVOKMFICBG-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000361825908 261397373 /nfs/dbraw/zinc/39/73/73/261397373.db2.gz ZJSKPVOKMFICBG-CYBMUJFWSA-N 1 2 270.373 0.806 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000372814924 262275107 /nfs/dbraw/zinc/27/51/07/262275107.db2.gz LXDVGUSOAGRQKI-CQSZACIVSA-N 1 2 278.377 0.662 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000372814924 262275108 /nfs/dbraw/zinc/27/51/08/262275108.db2.gz LXDVGUSOAGRQKI-CQSZACIVSA-N 1 2 278.377 0.662 20 30 CCEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(F)c(F)c1 ZINC000282264186 263075580 /nfs/dbraw/zinc/07/55/80/263075580.db2.gz NYZZCKXPJJNSBK-ZETCQYMHSA-N 1 2 271.223 0.710 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340191141 263086562 /nfs/dbraw/zinc/08/65/62/263086562.db2.gz IBOBQRHPSWARKS-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340191141 263086563 /nfs/dbraw/zinc/08/65/63/263086563.db2.gz IBOBQRHPSWARKS-SCZZXKLOSA-N 1 2 279.262 0.404 20 30 CCEDLO C=CCN1CC[C@H](O[NH+]=C(N)[C@@H]2CCCO2)C1=O ZINC000289324507 263108959 /nfs/dbraw/zinc/10/89/59/263108959.db2.gz CSYVCBFKUCZIIZ-UWVGGRQHSA-N 1 2 253.302 0.241 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000293732115 263148126 /nfs/dbraw/zinc/14/81/26/263148126.db2.gz KRNTZLNFLBQRCH-CYBMUJFWSA-N 1 2 275.356 0.951 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330565289 263975206 /nfs/dbraw/zinc/97/52/06/263975206.db2.gz LXJGBCAKJHIBMA-WOPDTQHZSA-N 1 2 271.336 0.399 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330565289 263975207 /nfs/dbraw/zinc/97/52/07/263975207.db2.gz LXJGBCAKJHIBMA-WOPDTQHZSA-N 1 2 271.336 0.399 20 30 CCEDLO CC(C)(C)[C@H](O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000330702956 264017799 /nfs/dbraw/zinc/01/77/99/264017799.db2.gz IRXLOJAHGJDFBV-LLVKDONJSA-N 1 2 273.377 0.229 20 30 CCEDLO CC(C)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330804304 264042649 /nfs/dbraw/zinc/04/26/49/264042649.db2.gz GQNYPHZPIQKDCE-UHFFFAOYSA-N 1 2 295.387 0.619 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](CO)C1 ZINC000330830252 264050006 /nfs/dbraw/zinc/05/00/06/264050006.db2.gz UFLHWDGKZCNBSV-MNOVXSKESA-N 1 2 252.318 0.500 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@H](CO)C1 ZINC000330830252 264050008 /nfs/dbraw/zinc/05/00/08/264050008.db2.gz UFLHWDGKZCNBSV-MNOVXSKESA-N 1 2 252.318 0.500 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000330937247 264082059 /nfs/dbraw/zinc/08/20/59/264082059.db2.gz AMSJWBPORVPQDL-LBPRGKRZSA-N 1 2 290.367 0.857 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000330937247 264082060 /nfs/dbraw/zinc/08/20/60/264082060.db2.gz AMSJWBPORVPQDL-LBPRGKRZSA-N 1 2 290.367 0.857 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000330948848 264085599 /nfs/dbraw/zinc/08/55/99/264085599.db2.gz JAZWLCYAUSSONO-TZMCWYRMSA-N 1 2 269.389 0.066 20 30 CCEDLO CO[C@@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000331009853 264107338 /nfs/dbraw/zinc/10/73/38/264107338.db2.gz RLIJEQOAGJWNKF-NXEZZACHSA-N 1 2 252.318 0.991 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000331123056 264131889 /nfs/dbraw/zinc/13/18/89/264131889.db2.gz BUZIZVYGPMMMDP-LLVKDONJSA-N 1 2 293.289 0.748 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000331123056 264131890 /nfs/dbraw/zinc/13/18/90/264131890.db2.gz BUZIZVYGPMMMDP-LLVKDONJSA-N 1 2 293.289 0.748 20 30 CCEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000331157207 264141679 /nfs/dbraw/zinc/14/16/79/264141679.db2.gz QAETYSIFXMTHHM-JTQLQIEISA-N 1 2 262.361 0.891 20 30 CCEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000331157207 264141680 /nfs/dbraw/zinc/14/16/80/264141680.db2.gz QAETYSIFXMTHHM-JTQLQIEISA-N 1 2 262.361 0.891 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331185000 264156001 /nfs/dbraw/zinc/15/60/01/264156001.db2.gz OFIMJBUUKRZTSK-MCIONIFRSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331185000 264156003 /nfs/dbraw/zinc/15/60/03/264156003.db2.gz OFIMJBUUKRZTSK-MCIONIFRSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000331185000 264156006 /nfs/dbraw/zinc/15/60/06/264156006.db2.gz OFIMJBUUKRZTSK-MCIONIFRSA-N 1 2 294.399 0.009 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000331185000 264156008 /nfs/dbraw/zinc/15/60/08/264156008.db2.gz OFIMJBUUKRZTSK-MCIONIFRSA-N 1 2 294.399 0.009 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)CCCC#N ZINC000331210301 264162813 /nfs/dbraw/zinc/16/28/13/264162813.db2.gz XLBSOCNDCZBRPQ-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO C=C(C)CS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000331233898 264173458 /nfs/dbraw/zinc/17/34/58/264173458.db2.gz SDCGVQOERVNJKZ-LBPRGKRZSA-N 1 2 276.402 0.450 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)C2CC2)C1=O ZINC000281245698 264480577 /nfs/dbraw/zinc/48/05/77/264480577.db2.gz GLIXUQSKPMFYAT-LBPRGKRZSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)C2CC2)C1=O ZINC000281245698 264480578 /nfs/dbraw/zinc/48/05/78/264480578.db2.gz GLIXUQSKPMFYAT-LBPRGKRZSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292411829 264870209 /nfs/dbraw/zinc/87/02/09/264870209.db2.gz ZNVVUGZXJAYYFF-MNOVXSKESA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292411829 264870215 /nfs/dbraw/zinc/87/02/15/264870215.db2.gz ZNVVUGZXJAYYFF-MNOVXSKESA-N 1 2 274.386 0.044 20 30 CCEDLO C=CCCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000359033471 266526071 /nfs/dbraw/zinc/52/60/71/266526071.db2.gz GHMCZVLPYRDIIU-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCNC(=O)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367766957 267116434 /nfs/dbraw/zinc/11/64/34/267116434.db2.gz HIEQMDSZEXAQDL-LLVKDONJSA-N 1 2 291.355 0.221 20 30 CCEDLO C#CCOCCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368574493 267187461 /nfs/dbraw/zinc/18/74/61/267187461.db2.gz ZOMMAINZIHEZLA-UHFFFAOYSA-N 1 2 284.319 0.923 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000369548012 267249361 /nfs/dbraw/zinc/24/93/61/267249361.db2.gz HQLDLPMRLVYPIF-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000369548012 267249364 /nfs/dbraw/zinc/24/93/64/267249364.db2.gz HQLDLPMRLVYPIF-ZDUSSCGKSA-N 1 2 293.411 0.705 20 30 CCEDLO Cc1cc(NCC(=O)NCC(F)(F)F)c(C#N)c[nH+]1 ZINC000399347013 267299359 /nfs/dbraw/zinc/29/93/59/267299359.db2.gz BOHWEPXJXQNYBI-UHFFFAOYSA-N 1 2 272.230 0.774 20 30 CCEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(C)CCC#N ZINC000119259273 267313946 /nfs/dbraw/zinc/31/39/46/267313946.db2.gz FOAIZTDPWTULNV-NSHDSACASA-N 1 2 268.361 0.205 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(C)CCC#N ZINC000119259273 267313948 /nfs/dbraw/zinc/31/39/48/267313948.db2.gz FOAIZTDPWTULNV-NSHDSACASA-N 1 2 268.361 0.205 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000519175530 267350181 /nfs/dbraw/zinc/35/01/81/267350181.db2.gz JBHBJMTUTQLTHI-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000519175530 267350186 /nfs/dbraw/zinc/35/01/86/267350186.db2.gz JBHBJMTUTQLTHI-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376875985 268026469 /nfs/dbraw/zinc/02/64/69/268026469.db2.gz VCKJYLIPPBOMDF-HNNXBMFYSA-N 1 2 274.364 0.582 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1=O ZINC000377110971 268048210 /nfs/dbraw/zinc/04/82/10/268048210.db2.gz FNSSGUPOIGSGBP-MJBXVCDLSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1=O ZINC000377110971 268048212 /nfs/dbraw/zinc/04/82/12/268048212.db2.gz FNSSGUPOIGSGBP-MJBXVCDLSA-N 1 2 280.368 0.653 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000399951333 268139124 /nfs/dbraw/zinc/13/91/24/268139124.db2.gz SSZAFCFYTSAXIB-ZDUSSCGKSA-N 1 2 275.308 0.190 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000399951333 268139126 /nfs/dbraw/zinc/13/91/26/268139126.db2.gz SSZAFCFYTSAXIB-ZDUSSCGKSA-N 1 2 275.308 0.190 20 30 CCEDLO C=CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334613497 276899427 /nfs/dbraw/zinc/89/94/27/276899427.db2.gz PFCFSRWLJROKNN-NWDGAFQWSA-N 1 2 253.346 0.677 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000760853005 581876106 /nfs/dbraw/zinc/87/61/06/581876106.db2.gz IDWOSCNOZMOQBH-VXGBXAGGSA-N 1 2 257.330 0.577 20 30 CCEDLO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000352609960 293625171 /nfs/dbraw/zinc/62/51/71/293625171.db2.gz MLVVGSXAZYHEBM-VIFPVBQESA-N 1 2 295.306 0.859 20 30 CCEDLO Cn1ncc2c1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2 ZINC000570805988 327620479 /nfs/dbraw/zinc/62/04/79/327620479.db2.gz UOCGALONFCATRU-ABAIWWIYSA-N 1 2 289.383 0.485 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354067218 327937258 /nfs/dbraw/zinc/93/72/58/327937258.db2.gz ZTJXLUYVYDXWDJ-UHFFFAOYSA-N 1 2 289.401 0.274 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425289305 328099670 /nfs/dbraw/zinc/09/96/70/328099670.db2.gz CXMPGJXRFVHAQU-TZMCWYRMSA-N 1 2 270.373 0.398 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)cn1 ZINC000319318639 328123115 /nfs/dbraw/zinc/12/31/15/328123115.db2.gz GDEVHPNAZIUROZ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)cn1 ZINC000319318639 328123116 /nfs/dbraw/zinc/12/31/16/328123116.db2.gz GDEVHPNAZIUROZ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000267619349 328179813 /nfs/dbraw/zinc/17/98/13/328179813.db2.gz MGHNSDADAFPCHB-AWEZNQCLSA-N 1 2 262.309 0.782 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000267619349 328179815 /nfs/dbraw/zinc/17/98/15/328179815.db2.gz MGHNSDADAFPCHB-AWEZNQCLSA-N 1 2 262.309 0.782 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1=O ZINC000281630171 328500403 /nfs/dbraw/zinc/50/04/03/328500403.db2.gz GOBSJNBQGRCTTA-CYBMUJFWSA-N 1 2 290.367 0.598 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NC2CC2)cc1 ZINC000113249089 327290267 /nfs/dbraw/zinc/29/02/67/327290267.db2.gz KCMJRFHYTKUIQN-SECBINFHSA-N 1 2 277.324 0.999 20 30 CCEDLO CNC(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000566308879 327298723 /nfs/dbraw/zinc/29/87/23/327298723.db2.gz KVVFURKJCQZYNS-CQSZACIVSA-N 1 2 289.339 0.015 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000562323158 327470261 /nfs/dbraw/zinc/47/02/61/327470261.db2.gz SHAOIXONCXEFQQ-DZGCQCFKSA-N 1 2 289.335 0.786 20 30 CCEDLO CC#CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000361412004 328924344 /nfs/dbraw/zinc/92/43/44/328924344.db2.gz DOZYIRRLRPFLED-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C=CCCS(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194024618 329064801 /nfs/dbraw/zinc/06/48/01/329064801.db2.gz KCGZJKPFDMCXPX-BETUJISGSA-N 1 2 290.429 0.933 20 30 CCEDLO C=CCCS(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194024618 329064802 /nfs/dbraw/zinc/06/48/02/329064802.db2.gz KCGZJKPFDMCXPX-BETUJISGSA-N 1 2 290.429 0.933 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185200942 329268601 /nfs/dbraw/zinc/26/86/01/329268601.db2.gz HTCBFEKZMFCSRE-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185200942 329268603 /nfs/dbraw/zinc/26/86/03/329268603.db2.gz HTCBFEKZMFCSRE-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000321225859 329328531 /nfs/dbraw/zinc/32/85/31/329328531.db2.gz LNRAMFQXKKGQOC-NSHDSACASA-N 1 2 259.309 0.930 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000527218408 330238351 /nfs/dbraw/zinc/23/83/51/330238351.db2.gz SJZBKGHCFKMVDJ-UHFFFAOYSA-N 1 2 255.337 0.408 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000424137839 330274901 /nfs/dbraw/zinc/27/49/01/330274901.db2.gz PKDNDDUXSLQIKW-CYBMUJFWSA-N 1 2 264.300 0.689 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCOCC1 ZINC000424741442 330455836 /nfs/dbraw/zinc/45/58/36/330455836.db2.gz UCXCDHWGUMMZCH-AWEZNQCLSA-N 1 2 293.411 0.475 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451136350 331017013 /nfs/dbraw/zinc/01/70/13/331017013.db2.gz FXQZEZKLUQMYBC-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451136350 331017014 /nfs/dbraw/zinc/01/70/14/331017014.db2.gz FXQZEZKLUQMYBC-UHFFFAOYSA-N 1 2 255.362 0.607 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@]2(C#N)C[C@@H]2C)CCO1 ZINC000451239764 331021500 /nfs/dbraw/zinc/02/15/00/331021500.db2.gz GJCGXRWIWJRUCV-SCRDCRAPSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)C[C@@H]2C)CCO1 ZINC000451239764 331021501 /nfs/dbraw/zinc/02/15/01/331021501.db2.gz GJCGXRWIWJRUCV-SCRDCRAPSA-N 1 2 265.357 0.763 20 30 CCEDLO CC[C@@H](C(=O)N(CC#N)CCOC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457206495 331215879 /nfs/dbraw/zinc/21/58/79/331215879.db2.gz SIGFIJAJYDXECR-KBPBESRZSA-N 1 2 297.399 0.874 20 30 CCEDLO CC[C@@H](C(=O)N(CC#N)CCOC)[N@H+]1CCO[C@@H](CC)C1 ZINC000457206495 331215880 /nfs/dbraw/zinc/21/58/80/331215880.db2.gz SIGFIJAJYDXECR-KBPBESRZSA-N 1 2 297.399 0.874 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000457757244 331233483 /nfs/dbraw/zinc/23/34/83/331233483.db2.gz QRENBQYAOFXEPB-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO COCCN(CC#N)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459534228 331286294 /nfs/dbraw/zinc/28/62/94/331286294.db2.gz LPRNDTBUPAACRD-BETUJISGSA-N 1 2 253.346 0.322 20 30 CCEDLO COCCN(CC#N)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459534228 331286295 /nfs/dbraw/zinc/28/62/95/331286295.db2.gz LPRNDTBUPAACRD-BETUJISGSA-N 1 2 253.346 0.322 20 30 CCEDLO CC#CCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490175144 332083460 /nfs/dbraw/zinc/08/34/60/332083460.db2.gz BCLUWTOLGPCEKQ-ZDUSSCGKSA-N 1 2 265.357 0.562 20 30 CCEDLO CC#CCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490175144 332083461 /nfs/dbraw/zinc/08/34/61/332083461.db2.gz BCLUWTOLGPCEKQ-ZDUSSCGKSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(CCOC)c2=S)CC1 ZINC000490544261 332090805 /nfs/dbraw/zinc/09/08/05/332090805.db2.gz GMQUQPYHNHLGMS-UHFFFAOYSA-N 1 2 295.412 0.269 20 30 CCEDLO C#CCN(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000490618318 332096089 /nfs/dbraw/zinc/09/60/89/332096089.db2.gz VVHHOCNWNQWJEY-QWHCGFSZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC2(CC1)OCCO2 ZINC000490841952 332120076 /nfs/dbraw/zinc/12/00/76/332120076.db2.gz XRCVHIPMHRUGIB-UHFFFAOYSA-N 1 2 290.363 0.310 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC2(CC1)OCCO2 ZINC000490841952 332120078 /nfs/dbraw/zinc/12/00/78/332120078.db2.gz XRCVHIPMHRUGIB-UHFFFAOYSA-N 1 2 290.363 0.310 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000491066294 332144132 /nfs/dbraw/zinc/14/41/32/332144132.db2.gz BRLUMXCGBFGUQY-NSHDSACASA-N 1 2 284.381 0.106 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000491066294 332144133 /nfs/dbraw/zinc/14/41/33/332144133.db2.gz BRLUMXCGBFGUQY-NSHDSACASA-N 1 2 284.381 0.106 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000491166654 332160208 /nfs/dbraw/zinc/16/02/08/332160208.db2.gz TZKLBHXXBHUNAV-AWEZNQCLSA-N 1 2 283.335 0.623 20 30 CCEDLO C#CC[N@@H+](CC)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491209813 332166687 /nfs/dbraw/zinc/16/66/87/332166687.db2.gz MDARKXVWWGQBBR-CQSZACIVSA-N 1 2 295.408 0.872 20 30 CCEDLO C#CC[N@H+](CC)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491209813 332166689 /nfs/dbraw/zinc/16/66/89/332166689.db2.gz MDARKXVWWGQBBR-CQSZACIVSA-N 1 2 295.408 0.872 20 30 CCEDLO C#C[C@@H](C)N(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000491326296 332190266 /nfs/dbraw/zinc/19/02/66/332190266.db2.gz LSSYCAUFQQVOSZ-LLVKDONJSA-N 1 2 270.336 0.914 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000491441099 332212467 /nfs/dbraw/zinc/21/24/67/332212467.db2.gz UCNPNGHXBGYVPA-AAEUAGOBSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000491441099 332212469 /nfs/dbraw/zinc/21/24/69/332212469.db2.gz UCNPNGHXBGYVPA-AAEUAGOBSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000491441104 332212503 /nfs/dbraw/zinc/21/25/03/332212503.db2.gz UCNPNGHXBGYVPA-YPMHNXCESA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000491441104 332212504 /nfs/dbraw/zinc/21/25/04/332212504.db2.gz UCNPNGHXBGYVPA-YPMHNXCESA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC(C)(C)[N@@H+](C)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000491628634 332251953 /nfs/dbraw/zinc/25/19/53/332251953.db2.gz NTXURCHGZOWCOI-UHFFFAOYSA-N 1 2 292.339 0.077 20 30 CCEDLO C#CC(C)(C)[N@H+](C)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000491628634 332251955 /nfs/dbraw/zinc/25/19/55/332251955.db2.gz NTXURCHGZOWCOI-UHFFFAOYSA-N 1 2 292.339 0.077 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000491638856 332259446 /nfs/dbraw/zinc/25/94/46/332259446.db2.gz WCXCBIQICWBWFC-SECBINFHSA-N 1 2 292.339 0.077 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000491638856 332259447 /nfs/dbraw/zinc/25/94/47/332259447.db2.gz WCXCBIQICWBWFC-SECBINFHSA-N 1 2 292.339 0.077 20 30 CCEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]cn2C)n1 ZINC000491670614 332277818 /nfs/dbraw/zinc/27/78/18/332277818.db2.gz DPJDDBZZLXXLOM-UHFFFAOYSA-N 1 2 287.367 0.898 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000491705881 332298836 /nfs/dbraw/zinc/29/88/36/332298836.db2.gz MHPVSZOKEYDGPN-KBPBESRZSA-N 1 2 279.311 0.899 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000491705881 332298837 /nfs/dbraw/zinc/29/88/37/332298837.db2.gz MHPVSZOKEYDGPN-KBPBESRZSA-N 1 2 279.311 0.899 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)CC)CC1 ZINC000491765199 332333622 /nfs/dbraw/zinc/33/36/22/332333622.db2.gz DYENQVIGNJCOOH-CYBMUJFWSA-N 1 2 290.367 0.104 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(CC)[nH]2)CC1 ZINC000491770027 332337024 /nfs/dbraw/zinc/33/70/24/332337024.db2.gz LNTFMULDYYOTMT-UHFFFAOYSA-N 1 2 275.356 0.329 20 30 CCEDLO COc1ncc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000493152588 332428357 /nfs/dbraw/zinc/42/83/57/332428357.db2.gz KPHOTEQPIZMGJH-VBROQKIQSA-N 1 2 289.339 0.458 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305197476 332986566 /nfs/dbraw/zinc/98/65/66/332986566.db2.gz ZPPNEYRHESFLTL-MWLCHTKSSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000174051638 332989811 /nfs/dbraw/zinc/98/98/11/332989811.db2.gz MVKWVFJXNPUACP-UHFFFAOYSA-N 1 2 290.363 0.547 20 30 CCEDLO C[C@@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000521980283 333229223 /nfs/dbraw/zinc/22/92/23/333229223.db2.gz GZVUPGLKRRSYON-VIFPVBQESA-N 1 2 256.269 0.552 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193325603 333248107 /nfs/dbraw/zinc/24/81/07/333248107.db2.gz VEDOEHATSARHKC-GHMZBOCLSA-N 1 2 271.324 0.518 20 30 CCEDLO CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)C[C@H](C)C#N ZINC000075678234 334048955 /nfs/dbraw/zinc/04/89/55/334048955.db2.gz HADTUTPQTKECMI-LLVKDONJSA-N 1 2 299.400 0.180 20 30 CCEDLO CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)C[C@H](C)C#N ZINC000075678234 334048956 /nfs/dbraw/zinc/04/89/56/334048956.db2.gz HADTUTPQTKECMI-LLVKDONJSA-N 1 2 299.400 0.180 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248485720 334304031 /nfs/dbraw/zinc/30/40/31/334304031.db2.gz KULFNYZSPPBRLV-AGMRTUQYSA-N 1 2 287.429 0.740 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248485720 334304032 /nfs/dbraw/zinc/30/40/32/334304032.db2.gz KULFNYZSPPBRLV-AGMRTUQYSA-N 1 2 287.429 0.740 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000568767547 334840084 /nfs/dbraw/zinc/84/00/84/334840084.db2.gz SCEVGEJRVLVTNE-ZDUSSCGKSA-N 1 2 276.344 0.428 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000576433418 335202712 /nfs/dbraw/zinc/20/27/12/335202712.db2.gz QABVTBWBEQHFLX-SECBINFHSA-N 1 2 279.296 0.082 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)c(N)n1 ZINC000577509201 335362369 /nfs/dbraw/zinc/36/23/69/335362369.db2.gz BCXIVIDSWPDPSI-SNVBAGLBSA-N 1 2 261.329 0.090 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)c(N)n1 ZINC000577509201 335362370 /nfs/dbraw/zinc/36/23/70/335362370.db2.gz BCXIVIDSWPDPSI-SNVBAGLBSA-N 1 2 261.329 0.090 20 30 CCEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000577573036 335370994 /nfs/dbraw/zinc/37/09/94/335370994.db2.gz IFLIYBRAAMUFLM-NSHDSACASA-N 1 2 252.274 0.257 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000578232725 335589263 /nfs/dbraw/zinc/58/92/63/335589263.db2.gz GQZCTPUYCZBUIL-NSHDSACASA-N 1 2 286.339 0.796 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000581556234 336102366 /nfs/dbraw/zinc/10/23/66/336102366.db2.gz ZBGGVJAHQPYMKV-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000581556234 336102367 /nfs/dbraw/zinc/10/23/67/336102367.db2.gz ZBGGVJAHQPYMKV-CQSZACIVSA-N 1 2 259.309 0.945 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000581943588 336174150 /nfs/dbraw/zinc/17/41/50/336174150.db2.gz NSHNBANFLXIBLI-LBPRGKRZSA-N 1 2 298.343 0.275 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC(=O)N1 ZINC000387112988 336185539 /nfs/dbraw/zinc/18/55/39/336185539.db2.gz HHFHXJSCTQVJKM-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC(=O)N1 ZINC000387112988 336185540 /nfs/dbraw/zinc/18/55/40/336185540.db2.gz HHFHXJSCTQVJKM-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCC1 ZINC000331890544 533849538 /nfs/dbraw/zinc/84/95/38/533849538.db2.gz PLFWNORITGZUQI-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC(=O)N1 ZINC000449523909 533958390 /nfs/dbraw/zinc/95/83/90/533958390.db2.gz MOUZPACISWLUHX-JTQLQIEISA-N 1 2 269.308 0.526 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000182487964 521767466 /nfs/dbraw/zinc/76/74/66/521767466.db2.gz JOPCMRPSBWGEMM-LLVKDONJSA-N 1 2 265.338 0.567 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000182487964 521767471 /nfs/dbraw/zinc/76/74/71/521767471.db2.gz JOPCMRPSBWGEMM-LLVKDONJSA-N 1 2 265.338 0.567 20 30 CCEDLO N#CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000331449174 534648338 /nfs/dbraw/zinc/64/83/38/534648338.db2.gz IZNGQMOGTLDCJJ-UHFFFAOYSA-N 1 2 252.318 0.064 20 30 CCEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442420 526238406 /nfs/dbraw/zinc/23/84/06/526238406.db2.gz DJDLMKQVEDWQKN-LBPRGKRZSA-N 1 2 287.367 0.552 20 30 CCEDLO C=CC[N@@H+](CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000332028687 526273681 /nfs/dbraw/zinc/27/36/81/526273681.db2.gz UUODFPGAGVGACV-GFCCVEGCSA-N 1 2 273.398 0.967 20 30 CCEDLO C=CC[N@H+](CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000332028687 526273686 /nfs/dbraw/zinc/27/36/86/526273686.db2.gz UUODFPGAGVGACV-GFCCVEGCSA-N 1 2 273.398 0.967 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000665795355 545107784 /nfs/dbraw/zinc/10/77/84/545107784.db2.gz QNPVZMUXUKKENF-HNNXBMFYSA-N 1 2 291.351 0.471 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347343872 526603125 /nfs/dbraw/zinc/60/31/25/526603125.db2.gz FHISVCPRRGMDOM-BXKDBHETSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347343872 526603132 /nfs/dbraw/zinc/60/31/32/526603132.db2.gz FHISVCPRRGMDOM-BXKDBHETSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276216 526610510 /nfs/dbraw/zinc/61/05/10/526610510.db2.gz FHHLCBSNZIBVFH-SDDRHHMPSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276216 526610512 /nfs/dbraw/zinc/61/05/12/526610512.db2.gz FHHLCBSNZIBVFH-SDDRHHMPSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000112554357 526654139 /nfs/dbraw/zinc/65/41/39/526654139.db2.gz GTQWXWPMVAMKAV-CYBMUJFWSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCNC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000112554357 526654145 /nfs/dbraw/zinc/65/41/45/526654145.db2.gz GTQWXWPMVAMKAV-CYBMUJFWSA-N 1 2 290.367 0.740 20 30 CCEDLO C=CCOCCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000666517786 545124684 /nfs/dbraw/zinc/12/46/84/545124684.db2.gz QMYZQGTZGWLJCG-CQSZACIVSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CC[C@H](CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000353123054 527163827 /nfs/dbraw/zinc/16/38/27/527163827.db2.gz BRHJZRRKBZPBDI-ZDUSSCGKSA-N 1 2 290.429 0.983 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000667999672 545160718 /nfs/dbraw/zinc/16/07/18/545160718.db2.gz LIJXDSMNDSPDNU-AWEZNQCLSA-N 1 2 297.399 0.248 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000352727299 528383935 /nfs/dbraw/zinc/38/39/35/528383935.db2.gz FORRRTIJQISKLK-UHFFFAOYSA-N 1 2 283.357 0.179 20 30 CCEDLO COCC#CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000677820483 545373929 /nfs/dbraw/zinc/37/39/29/545373929.db2.gz OXKALQMSMLDJSD-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2nc(C)cc(C#N)n2)CCO1 ZINC000343091655 536144716 /nfs/dbraw/zinc/14/47/16/536144716.db2.gz HBUQGWFWPJOEII-ZDUSSCGKSA-N 1 2 275.356 0.601 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2nc(C)cc(C#N)n2)CCO1 ZINC000343091655 536144718 /nfs/dbraw/zinc/14/47/18/536144718.db2.gz HBUQGWFWPJOEII-ZDUSSCGKSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CCOCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000681394178 545452385 /nfs/dbraw/zinc/45/23/85/545452385.db2.gz NWQRWURKFFDMFZ-UHFFFAOYSA-N 1 2 291.355 0.370 20 30 CCEDLO C=CCOCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000681394178 545452386 /nfs/dbraw/zinc/45/23/86/545452386.db2.gz NWQRWURKFFDMFZ-UHFFFAOYSA-N 1 2 291.355 0.370 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000725828320 581143273 /nfs/dbraw/zinc/14/32/73/581143273.db2.gz BXNAEXZRNYLNHO-CYBMUJFWSA-N 1 2 286.397 0.136 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(=O)c1C#N ZINC000788383987 581109691 /nfs/dbraw/zinc/10/96/91/581109691.db2.gz PGKRYDFHQGMLPK-HNNXBMFYSA-N 1 2 286.335 0.198 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(=O)c1C#N ZINC000788383987 581109693 /nfs/dbraw/zinc/10/96/93/581109693.db2.gz PGKRYDFHQGMLPK-HNNXBMFYSA-N 1 2 286.335 0.198 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000777638793 581126761 /nfs/dbraw/zinc/12/67/61/581126761.db2.gz YFHYZQOIJHQFCE-AVGNSLFASA-N 1 2 288.351 0.678 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CC(C)(C)COC(C)=O)CC1 ZINC000777859405 581137270 /nfs/dbraw/zinc/13/72/70/581137270.db2.gz CUPFAXIBKXJLJP-UHFFFAOYSA-N 1 2 280.368 0.743 20 30 CCEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000779158815 581176364 /nfs/dbraw/zinc/17/63/64/581176364.db2.gz YOSVCBGZAHNRRJ-BETUJISGSA-N 1 2 281.739 0.889 20 30 CCEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000779158815 581176365 /nfs/dbraw/zinc/17/63/65/581176365.db2.gz YOSVCBGZAHNRRJ-BETUJISGSA-N 1 2 281.739 0.889 20 30 CCEDLO CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1[nH]cc[nH+]1 ZINC000790153419 581178470 /nfs/dbraw/zinc/17/84/70/581178470.db2.gz GBRAZOIBXZWQHK-UHFFFAOYSA-N 1 2 280.313 0.288 20 30 CCEDLO Cc1ccc(F)c2c1NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000779799209 581206400 /nfs/dbraw/zinc/20/64/00/581206400.db2.gz JJZSZVANCIUMSG-SSDOTTSWSA-N 1 2 275.287 0.728 20 30 CCEDLO C#CCCCS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000791419758 581221199 /nfs/dbraw/zinc/22/11/99/581221199.db2.gz ADPMNLSSGPFLGB-UHFFFAOYSA-N 1 2 281.381 0.980 20 30 CCEDLO C[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780849096 581246201 /nfs/dbraw/zinc/24/62/01/581246201.db2.gz IPPGTZCQGGUQNB-ZDUSSCGKSA-N 1 2 259.309 0.366 20 30 CCEDLO CN(C)c1nccc(N[NH+]=Cc2cnc(N)nc2)n1 ZINC000781594316 581272810 /nfs/dbraw/zinc/27/28/10/581272810.db2.gz HULPKPXUGKIURC-UHFFFAOYSA-N 1 2 258.289 0.361 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)C#N)CCO1 ZINC000781934266 581281164 /nfs/dbraw/zinc/28/11/64/581281164.db2.gz OVUINDBSEOJEQL-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C#N)CCO1 ZINC000781934266 581281166 /nfs/dbraw/zinc/28/11/66/581281166.db2.gz OVUINDBSEOJEQL-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000782055732 581286374 /nfs/dbraw/zinc/28/63/74/581286374.db2.gz BSZKTMPOYKOIDP-NSHDSACASA-N 1 2 268.263 0.337 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000793592254 581304033 /nfs/dbraw/zinc/30/40/33/581304033.db2.gz JUKRAAIDQOHGGZ-UHFFFAOYSA-N 1 2 288.347 0.335 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC(F)F ZINC000794047231 581334484 /nfs/dbraw/zinc/33/44/84/581334484.db2.gz XVAGJJMGFQVQCL-JTQLQIEISA-N 1 2 260.284 0.170 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC(F)F ZINC000794047231 581334485 /nfs/dbraw/zinc/33/44/85/581334485.db2.gz XVAGJJMGFQVQCL-JTQLQIEISA-N 1 2 260.284 0.170 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ccoc1C(=O)OC ZINC000783602419 581351825 /nfs/dbraw/zinc/35/18/25/581351825.db2.gz KYABIBQTSJIZGT-UHFFFAOYSA-N 1 2 287.337 0.757 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796330418 581353155 /nfs/dbraw/zinc/35/31/55/581353155.db2.gz CUYVSUMIMYCRPL-VHSXEESVSA-N 1 2 293.289 0.509 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796330418 581353158 /nfs/dbraw/zinc/35/31/58/581353158.db2.gz CUYVSUMIMYCRPL-VHSXEESVSA-N 1 2 293.289 0.509 20 30 CCEDLO C[C@@]1(C#N)CCCN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000783774476 581360983 /nfs/dbraw/zinc/36/09/83/581360983.db2.gz WLNPIHBKQUNQHS-AWEZNQCLSA-N 1 2 296.440 0.819 20 30 CCEDLO C#CCOCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000784387839 581382682 /nfs/dbraw/zinc/38/26/82/581382682.db2.gz FPNJXXLCHHPSMC-CYBMUJFWSA-N 1 2 288.351 0.609 20 30 CCEDLO C#CCOCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785161464 581402327 /nfs/dbraw/zinc/40/23/27/581402327.db2.gz RYTUGZPQSDKKCB-UHFFFAOYSA-N 1 2 286.291 0.039 20 30 CCEDLO C#C[C@H]([NH2+]Cc1oncc1C(=O)OC)[C@H]1CCCO1 ZINC000796013510 581429984 /nfs/dbraw/zinc/42/99/84/581429984.db2.gz ZTGRPCPTVAAPIP-WDEREUQCSA-N 1 2 264.281 0.732 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000786231255 581434851 /nfs/dbraw/zinc/43/48/51/581434851.db2.gz FCFFCPMQOCXOFL-WCQYABFASA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000786231255 581434852 /nfs/dbraw/zinc/43/48/52/581434852.db2.gz FCFFCPMQOCXOFL-WCQYABFASA-N 1 2 284.335 0.354 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)[C@H]1C ZINC000787245776 581462658 /nfs/dbraw/zinc/46/26/58/581462658.db2.gz PBMYCWBTFNBPRT-NWDGAFQWSA-N 1 2 289.335 0.869 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)[C@H]1C ZINC000787245776 581462660 /nfs/dbraw/zinc/46/26/60/581462660.db2.gz PBMYCWBTFNBPRT-NWDGAFQWSA-N 1 2 289.335 0.869 20 30 CCEDLO C=CCn1nnn(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c1=S ZINC000797417335 581466075 /nfs/dbraw/zinc/46/60/75/581466075.db2.gz QXOYRISNIDOSEP-GFCCVEGCSA-N 1 2 296.400 0.411 20 30 CCEDLO C=CCn1nnn(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1=S ZINC000797417335 581466076 /nfs/dbraw/zinc/46/60/76/581466076.db2.gz QXOYRISNIDOSEP-GFCCVEGCSA-N 1 2 296.400 0.411 20 30 CCEDLO N#CCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000787364046 581469295 /nfs/dbraw/zinc/46/92/95/581469295.db2.gz YNBIKHYTHGPHPM-UHFFFAOYSA-N 1 2 270.296 0.980 20 30 CCEDLO C#CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000753242107 581533256 /nfs/dbraw/zinc/53/32/56/581533256.db2.gz XHNNXXULOUPXAJ-UHFFFAOYSA-N 1 2 270.292 0.647 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000753901955 581564194 /nfs/dbraw/zinc/56/41/94/581564194.db2.gz KLDZZOSBGZMZMJ-UHFFFAOYSA-N 1 2 288.347 0.981 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CN3CCCC3=O)CC2)c1 ZINC000729265081 581569505 /nfs/dbraw/zinc/56/95/05/581569505.db2.gz VMCJHLQLIVWJIM-UHFFFAOYSA-N 1 2 285.351 0.655 20 30 CCEDLO N#CC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000767566789 581618519 /nfs/dbraw/zinc/61/85/19/581618519.db2.gz HYUSPRDQEVJYAW-BETUJISGSA-N 1 2 294.351 0.713 20 30 CCEDLO N#CC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000767566789 581618524 /nfs/dbraw/zinc/61/85/24/581618524.db2.gz HYUSPRDQEVJYAW-BETUJISGSA-N 1 2 294.351 0.713 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000769963080 581630364 /nfs/dbraw/zinc/63/03/64/581630364.db2.gz QCGLVJDBKMDBJR-SNVBAGLBSA-N 1 2 259.309 0.678 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000769963080 581630366 /nfs/dbraw/zinc/63/03/66/581630366.db2.gz QCGLVJDBKMDBJR-SNVBAGLBSA-N 1 2 259.309 0.678 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OCC1CC1 ZINC000730106761 581647035 /nfs/dbraw/zinc/64/70/35/581647035.db2.gz RARCHUSZCBNYDD-LBPRGKRZSA-N 1 2 264.325 0.153 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OCC1CC1 ZINC000730106761 581647038 /nfs/dbraw/zinc/64/70/38/581647038.db2.gz RARCHUSZCBNYDD-LBPRGKRZSA-N 1 2 264.325 0.153 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000740478279 581685033 /nfs/dbraw/zinc/68/50/33/581685033.db2.gz KHMGWTONUUGJPC-GFCCVEGCSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000740478279 581685036 /nfs/dbraw/zinc/68/50/36/581685036.db2.gz KHMGWTONUUGJPC-GFCCVEGCSA-N 1 2 285.413 0.373 20 30 CCEDLO C[C@@H]1CC(=NNc2nc(=O)c3cnn(C)c3[nH]2)C[N@@H+]1C ZINC000769817385 581708777 /nfs/dbraw/zinc/70/87/77/581708777.db2.gz MCQLZIJXQTZXRO-SSDOTTSWSA-N 1 2 275.316 0.561 20 30 CCEDLO C[C@@H]1CC(=NNc2nc(=O)c3cnn(C)c3[nH]2)C[N@H+]1C ZINC000769817385 581708779 /nfs/dbraw/zinc/70/87/79/581708779.db2.gz MCQLZIJXQTZXRO-SSDOTTSWSA-N 1 2 275.316 0.561 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000769899596 581713014 /nfs/dbraw/zinc/71/30/14/581713014.db2.gz IYGVEDXLSFAWBZ-IBGZPJMESA-N 1 2 278.381 0.454 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000769904848 581713179 /nfs/dbraw/zinc/71/31/79/581713179.db2.gz WRCVFLDKDMAIOZ-CYBMUJFWSA-N 1 2 262.309 0.782 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000769904848 581713181 /nfs/dbraw/zinc/71/31/81/581713181.db2.gz WRCVFLDKDMAIOZ-CYBMUJFWSA-N 1 2 262.309 0.782 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753958752 581715009 /nfs/dbraw/zinc/71/50/09/581715009.db2.gz ANCKUSKKSIFBBG-VIFPVBQESA-N 1 2 259.375 0.927 20 30 CCEDLO CC(C)S(=O)(=O)NN=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753958752 581715015 /nfs/dbraw/zinc/71/50/15/581715015.db2.gz ANCKUSKKSIFBBG-VIFPVBQESA-N 1 2 259.375 0.927 20 30 CCEDLO CC(=O)N(C)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758203145 581727051 /nfs/dbraw/zinc/72/70/51/581727051.db2.gz KNDRUAXVNHBDIM-UHFFFAOYSA-N 1 2 288.351 0.620 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1=O ZINC000758221665 581728133 /nfs/dbraw/zinc/72/81/33/581728133.db2.gz GLSAMUWNUZZOTD-ZDUSSCGKSA-N 1 2 289.335 0.762 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1=O ZINC000758221665 581728134 /nfs/dbraw/zinc/72/81/34/581728134.db2.gz GLSAMUWNUZZOTD-ZDUSSCGKSA-N 1 2 289.335 0.762 20 30 CCEDLO CC(=O)OC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758240000 581731017 /nfs/dbraw/zinc/73/10/17/581731017.db2.gz DXWJOOIWIYJVEF-UHFFFAOYSA-N 1 2 275.308 0.705 20 30 CCEDLO N#C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000770417937 581742528 /nfs/dbraw/zinc/74/25/28/581742528.db2.gz QEEIHFRRTQDPJO-SNVBAGLBSA-N 1 2 256.265 0.699 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000737859681 581757079 /nfs/dbraw/zinc/75/70/79/581757079.db2.gz FRIYOFIJMXEPHQ-UHFFFAOYSA-N 1 2 299.290 0.406 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3nccnc3c2)CC1 ZINC000759023490 581781088 /nfs/dbraw/zinc/78/10/88/581781088.db2.gz ANDVTHZNUPHVRL-UHFFFAOYSA-N 1 2 281.319 0.416 20 30 CCEDLO O=c1nc(NN=Cc2cccc3[nH+]ccn32)nc2[nH][nH]cc1-2 ZINC000771099181 581791797 /nfs/dbraw/zinc/79/17/97/581791797.db2.gz DPHBPCUIPLKKHY-UHFFFAOYSA-N 1 2 294.278 0.526 20 30 CCEDLO CS(=O)(=O)CCNN=Cc1cccc2[nH+]ccn21 ZINC000771101759 581792112 /nfs/dbraw/zinc/79/21/12/581792112.db2.gz XFBKSFBUFFKEKA-UHFFFAOYSA-N 1 2 266.326 0.302 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CCC)C1=O)C1CC1 ZINC000771640670 581798186 /nfs/dbraw/zinc/79/81/86/581798186.db2.gz JARODHVYIJYCLT-UHFFFAOYSA-N 1 2 265.313 0.795 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CCC)C1=O)C1CC1 ZINC000771640670 581798192 /nfs/dbraw/zinc/79/81/92/581798192.db2.gz JARODHVYIJYCLT-UHFFFAOYSA-N 1 2 265.313 0.795 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745091234 581864952 /nfs/dbraw/zinc/86/49/52/581864952.db2.gz WFARGHFPRXJYSD-NEPJUHHUSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745091234 581864954 /nfs/dbraw/zinc/86/49/54/581864954.db2.gz WFARGHFPRXJYSD-NEPJUHHUSA-N 1 2 266.341 0.542 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000760640478 581867926 /nfs/dbraw/zinc/86/79/26/581867926.db2.gz FXSGRMVLQNVDJW-NQCMUKECSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000760640478 581867928 /nfs/dbraw/zinc/86/79/28/581867928.db2.gz FXSGRMVLQNVDJW-NQCMUKECSA-N 1 2 282.409 0.454 20 30 CCEDLO C#CCN1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000733162022 581869492 /nfs/dbraw/zinc/86/94/92/581869492.db2.gz BBWUUZYAMCRBGP-UHFFFAOYSA-N 1 2 295.346 0.658 20 30 CCEDLO C#CC[N@H+](CC#CC)CC[C@H]1CCS(=O)(=O)C1 ZINC000760842423 581875596 /nfs/dbraw/zinc/87/55/96/581875596.db2.gz YCFKHVUFPACYKU-ZDUSSCGKSA-N 1 2 253.367 0.770 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC[C@H]1CCS(=O)(=O)C1 ZINC000760842423 581875598 /nfs/dbraw/zinc/87/55/98/581875598.db2.gz YCFKHVUFPACYKU-ZDUSSCGKSA-N 1 2 253.367 0.770 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000760853005 581876104 /nfs/dbraw/zinc/87/61/04/581876104.db2.gz IDWOSCNOZMOQBH-VXGBXAGGSA-N 1 2 257.330 0.577 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(C)CCC)CC1 ZINC000772689666 581883319 /nfs/dbraw/zinc/88/33/19/581883319.db2.gz CNBMEYNCEFHOJE-UHFFFAOYSA-N 1 2 294.399 0.205 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)N(C)CCC)CC1 ZINC000772689666 581883322 /nfs/dbraw/zinc/88/33/22/581883322.db2.gz CNBMEYNCEFHOJE-UHFFFAOYSA-N 1 2 294.399 0.205 20 30 CCEDLO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000772876219 581894860 /nfs/dbraw/zinc/89/48/60/581894860.db2.gz BBKFCNBYSOKACY-CHWSQXEVSA-N 1 2 261.325 0.960 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C2CCC(=O)CC2)CC1 ZINC000746191885 581898794 /nfs/dbraw/zinc/89/87/94/581898794.db2.gz RDVXPPYJWZFJPZ-UHFFFAOYSA-N 1 2 262.353 0.913 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000773947716 581949010 /nfs/dbraw/zinc/94/90/10/581949010.db2.gz FYCKQGJSEALEMX-LLVKDONJSA-N 1 2 288.351 0.875 20 30 CCEDLO C#Cc1ccc(C(=O)OCC[NH+]2CCOCC2)nc1 ZINC000747699879 581950223 /nfs/dbraw/zinc/95/02/23/581950223.db2.gz QJEILGQPJBJZOD-UHFFFAOYSA-N 1 2 260.293 0.552 20 30 CCEDLO COC(=O)/C(C)=C\CN(CCC#N)CC[NH+]1CCOCC1 ZINC000748825737 581989889 /nfs/dbraw/zinc/98/98/89/581989889.db2.gz XPFWJADGGYNNFI-CPSFFCFKSA-N 1 2 295.383 0.654 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000764201314 582036316 /nfs/dbraw/zinc/03/63/16/582036316.db2.gz JGSQDXWTDIZDJY-GFCCVEGCSA-N 1 2 294.399 0.785 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000764201314 582036318 /nfs/dbraw/zinc/03/63/18/582036318.db2.gz JGSQDXWTDIZDJY-GFCCVEGCSA-N 1 2 294.399 0.785 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000738365814 582040161 /nfs/dbraw/zinc/04/01/61/582040161.db2.gz LZXQVWXDYPOWAH-UHFFFAOYSA-N 1 2 285.413 0.214 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)[C@@H]1CCCO1 ZINC000775804810 582040791 /nfs/dbraw/zinc/04/07/91/582040791.db2.gz CJWHPBGFVPXIGO-QWRGUYRKSA-N 1 2 263.345 0.699 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776128926 582053269 /nfs/dbraw/zinc/05/32/69/582053269.db2.gz FIPHEJMJLQCMJA-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776128926 582053271 /nfs/dbraw/zinc/05/32/71/582053271.db2.gz FIPHEJMJLQCMJA-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000752086706 582100026 /nfs/dbraw/zinc/10/00/26/582100026.db2.gz FQPJRRQRHKKOQN-ZDUSSCGKSA-N 1 2 285.319 0.336 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000752086706 582100027 /nfs/dbraw/zinc/10/00/27/582100027.db2.gz FQPJRRQRHKKOQN-ZDUSSCGKSA-N 1 2 285.319 0.336 20 30 CCEDLO C=C(C)CONC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000844286453 613353615 /nfs/dbraw/zinc/35/36/15/613353615.db2.gz YRVWHZNFNUTHIJ-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCCC(=O)NCC(C)C ZINC000852161045 613162410 /nfs/dbraw/zinc/16/24/10/613162410.db2.gz CPCVWAVWUDQCSN-ZDUSSCGKSA-N 1 2 252.358 0.873 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCCC(=O)NCC(C)C ZINC000852161045 613162411 /nfs/dbraw/zinc/16/24/11/613162411.db2.gz CPCVWAVWUDQCSN-ZDUSSCGKSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCOCC[N@H+]1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000879156813 612985094 /nfs/dbraw/zinc/98/50/94/612985094.db2.gz YLRRIGDEKTUQKK-DGCLKSJQSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000879156813 612985095 /nfs/dbraw/zinc/98/50/95/612985095.db2.gz YLRRIGDEKTUQKK-DGCLKSJQSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CC1(F)CN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000919956977 612946095 /nfs/dbraw/zinc/94/60/95/612946095.db2.gz XQGQCIMXZYJTGA-WQLSENKSSA-N 1 2 266.316 0.449 20 30 CCEDLO C#CCSCC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897600619 613009019 /nfs/dbraw/zinc/00/90/19/613009019.db2.gz NWBHJUTUVOBBKO-BETUJISGSA-N 1 2 284.425 0.920 20 30 CCEDLO C#CCSCC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897600619 613009020 /nfs/dbraw/zinc/00/90/20/613009020.db2.gz NWBHJUTUVOBBKO-BETUJISGSA-N 1 2 284.425 0.920 20 30 CCEDLO C#CCSCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000897877745 613009963 /nfs/dbraw/zinc/00/99/63/613009963.db2.gz ZHLCVHFLWOKMLD-ZDUSSCGKSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838485983 613016892 /nfs/dbraw/zinc/01/68/92/613016892.db2.gz LACQFYHCJGBUNA-BETUJISGSA-N 1 2 297.424 0.515 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838485983 613016893 /nfs/dbraw/zinc/01/68/93/613016893.db2.gz LACQFYHCJGBUNA-BETUJISGSA-N 1 2 297.424 0.515 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931953689 612950063 /nfs/dbraw/zinc/95/00/63/612950063.db2.gz RAKUEDPUMSELHA-GXSJLCMTSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931953689 612950065 /nfs/dbraw/zinc/95/00/65/612950065.db2.gz RAKUEDPUMSELHA-GXSJLCMTSA-N 1 2 262.313 0.305 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000859942575 612950280 /nfs/dbraw/zinc/95/02/80/612950280.db2.gz CHQHOXVNKJJFPY-NSHDSACASA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000859942575 612950282 /nfs/dbraw/zinc/95/02/82/612950282.db2.gz CHQHOXVNKJJFPY-NSHDSACASA-N 1 2 258.321 0.888 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852323703 612950298 /nfs/dbraw/zinc/95/02/98/612950298.db2.gz LALAUNMMPAEHRP-SMDDNHRTSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852323703 612950300 /nfs/dbraw/zinc/95/03/00/612950300.db2.gz LALAUNMMPAEHRP-SMDDNHRTSA-N 1 2 250.342 0.625 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000124031787 617180124 /nfs/dbraw/zinc/18/01/24/617180124.db2.gz VQCUFGOAUJSZPE-UKRRQHHQSA-N 1 2 272.348 0.873 20 30 CCEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000124031787 617180125 /nfs/dbraw/zinc/18/01/25/617180125.db2.gz VQCUFGOAUJSZPE-UKRRQHHQSA-N 1 2 272.348 0.873 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925296385 613047733 /nfs/dbraw/zinc/04/77/33/613047733.db2.gz WVJBNZVVVCAEJC-NSHDSACASA-N 1 2 279.340 0.041 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925296385 613047734 /nfs/dbraw/zinc/04/77/34/613047734.db2.gz WVJBNZVVVCAEJC-NSHDSACASA-N 1 2 279.340 0.041 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000858941902 613050278 /nfs/dbraw/zinc/05/02/78/613050278.db2.gz MHZUYRXXTWPVPH-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000858941902 613050279 /nfs/dbraw/zinc/05/02/79/613050279.db2.gz MHZUYRXXTWPVPH-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC000972528715 613092490 /nfs/dbraw/zinc/09/24/90/613092490.db2.gz BCERWVVRYLODEB-GXTWGEPZSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC000972528715 613092491 /nfs/dbraw/zinc/09/24/91/613092491.db2.gz BCERWVVRYLODEB-GXTWGEPZSA-N 1 2 298.408 0.120 20 30 CCEDLO Cc1[nH+]ccn1CCCn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC000826331409 609174578 /nfs/dbraw/zinc/17/45/78/609174578.db2.gz GUOVQYXZEXZSPK-UHFFFAOYSA-N 1 2 298.314 0.112 20 30 CCEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000905778491 613419220 /nfs/dbraw/zinc/41/92/20/613419220.db2.gz KGKQCAWVLMJNSN-SRVKXCTJSA-N 1 2 257.330 0.745 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000857309272 612967299 /nfs/dbraw/zinc/96/72/99/612967299.db2.gz YMYIVJSKIBISJZ-KGLIPLIRSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000857309272 612967301 /nfs/dbraw/zinc/96/73/01/612967301.db2.gz YMYIVJSKIBISJZ-KGLIPLIRSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000877902730 612976847 /nfs/dbraw/zinc/97/68/47/612976847.db2.gz FZBQTZVQCGQBQT-GFCCVEGCSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000877902730 612976849 /nfs/dbraw/zinc/97/68/49/612976849.db2.gz FZBQTZVQCGQBQT-GFCCVEGCSA-N 1 2 266.341 0.544 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nnc(C)n2CCC)CC1 ZINC000931151460 612952630 /nfs/dbraw/zinc/95/26/30/612952630.db2.gz VNWWRRGSRDIOGI-UHFFFAOYSA-N 1 2 262.357 0.957 20 30 CCEDLO C#CC1(O)CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000896241028 612955509 /nfs/dbraw/zinc/95/55/09/612955509.db2.gz SZICFRNGLOIGGZ-AWEZNQCLSA-N 1 2 285.347 0.563 20 30 CCEDLO C#CC1(O)CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000896241028 612955510 /nfs/dbraw/zinc/95/55/10/612955510.db2.gz SZICFRNGLOIGGZ-AWEZNQCLSA-N 1 2 285.347 0.563 20 30 CCEDLO C#CC1(O)C[NH+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000934448185 612960472 /nfs/dbraw/zinc/96/04/72/612960472.db2.gz ILIJWUVVNOODAU-UHFFFAOYSA-N 1 2 281.352 0.151 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000806792338 612967187 /nfs/dbraw/zinc/96/71/87/612967187.db2.gz MPXNKOFGDJCPRO-CYBMUJFWSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000806792338 612967189 /nfs/dbraw/zinc/96/71/89/612967189.db2.gz MPXNKOFGDJCPRO-CYBMUJFWSA-N 1 2 262.353 0.486 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000880481929 612974201 /nfs/dbraw/zinc/97/42/01/612974201.db2.gz SOENAZREZROTHE-LBPRGKRZSA-N 1 2 288.351 0.654 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000877641109 612989583 /nfs/dbraw/zinc/98/95/83/612989583.db2.gz MAGDKDPNIHJTTP-UHFFFAOYSA-N 1 2 266.301 0.800 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000877641109 612989584 /nfs/dbraw/zinc/98/95/84/612989584.db2.gz MAGDKDPNIHJTTP-UHFFFAOYSA-N 1 2 266.301 0.800 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928649951 613002428 /nfs/dbraw/zinc/00/24/28/613002428.db2.gz UGOZAPSMNTYTAU-OLZOCXBDSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842965838 613004541 /nfs/dbraw/zinc/00/45/41/613004541.db2.gz HUGLPBLOCZEGTM-MGPQQGTHSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842965838 613004542 /nfs/dbraw/zinc/00/45/42/613004542.db2.gz HUGLPBLOCZEGTM-MGPQQGTHSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCSCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000896698678 613009995 /nfs/dbraw/zinc/00/99/95/613009995.db2.gz SGEXOGZPKYQWQZ-ZDUSSCGKSA-N 1 2 282.409 0.676 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC)nn2)CC1 ZINC000931344441 613011134 /nfs/dbraw/zinc/01/11/34/613011134.db2.gz NHKJLOVRSCLBGB-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2coc(CO)c2)CC1 ZINC000874263934 613011254 /nfs/dbraw/zinc/01/12/54/613011254.db2.gz OEYCGCJWKGMZJF-UHFFFAOYSA-N 1 2 262.309 0.553 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000863779964 613021870 /nfs/dbraw/zinc/02/18/70/613021870.db2.gz VAZMWHPEJIHOMD-OLZOCXBDSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921487158 613026315 /nfs/dbraw/zinc/02/63/15/613026315.db2.gz CJZCIXWBPBLETP-LBPRGKRZSA-N 1 2 272.308 0.518 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000862575872 613045125 /nfs/dbraw/zinc/04/51/25/613045125.db2.gz ZJGRPPZRHVAXLF-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000913348405 613048925 /nfs/dbraw/zinc/04/89/25/613048925.db2.gz MZMWIKZOJMJWKG-OKFGHLOFSA-N 1 2 294.395 0.810 20 30 CCEDLO C#CCCOC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000859189973 613049984 /nfs/dbraw/zinc/04/99/84/613049984.db2.gz ZMLUEPDMEFHYEX-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000863779962 613051967 /nfs/dbraw/zinc/05/19/67/613051967.db2.gz VAZMWHPEJIHOMD-CHWSQXEVSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CCc2cn3c([nH+]2)CCCC3)C1=O ZINC000877880647 613075545 /nfs/dbraw/zinc/07/55/45/613075545.db2.gz GQMAHBSBLCFJMC-GFCCVEGCSA-N 1 2 286.335 0.706 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925597717 613079443 /nfs/dbraw/zinc/07/94/43/613079443.db2.gz RJBLNICTQOEEAS-CHWSQXEVSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923215825 613081598 /nfs/dbraw/zinc/08/15/98/613081598.db2.gz QWMJGEPIZZLFQQ-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867760364 613084658 /nfs/dbraw/zinc/08/46/58/613084658.db2.gz CFPFMQZOHWKTBF-VGVVRCBHSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCN(CC#CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881942754 613100366 /nfs/dbraw/zinc/10/03/66/613100366.db2.gz DPTNOCLLFXYYDH-UHFFFAOYSA-N 1 2 265.338 0.171 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819697940 613100527 /nfs/dbraw/zinc/10/05/27/613100527.db2.gz ORROKXOTKLPAAT-HNNXBMFYSA-N 1 2 295.346 0.859 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819697940 613100528 /nfs/dbraw/zinc/10/05/28/613100528.db2.gz ORROKXOTKLPAAT-HNNXBMFYSA-N 1 2 295.346 0.859 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215037 613106821 /nfs/dbraw/zinc/10/68/21/613106821.db2.gz CHSJBQGNOMTHBF-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO C#C[C@@H]1CCC[N@H+]([C@@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215037 613106822 /nfs/dbraw/zinc/10/68/22/613106822.db2.gz CHSJBQGNOMTHBF-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccoc3)CC2)C1 ZINC000941386415 613115143 /nfs/dbraw/zinc/11/51/43/613115143.db2.gz HQHGJPAYDXQSOK-UHFFFAOYSA-N 1 2 287.363 0.284 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C3CCC3)CC2)C1 ZINC000941455660 613115313 /nfs/dbraw/zinc/11/53/13/613115313.db2.gz YUMTVPPXTJNWIP-AWEZNQCLSA-N 1 2 289.423 0.884 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000820429225 613115550 /nfs/dbraw/zinc/11/55/50/613115550.db2.gz VXOAAFJCRYINDV-QWHCGFSZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@H](CO)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908620693 613129597 /nfs/dbraw/zinc/12/95/97/613129597.db2.gz RAMHHNOOLCUKIU-CQSZACIVSA-N 1 2 298.346 0.719 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000928653343 613136886 /nfs/dbraw/zinc/13/68/86/613136886.db2.gz IPCWPQHZJCHKQB-NSHDSACASA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000928653343 613136887 /nfs/dbraw/zinc/13/68/87/613136887.db2.gz IPCWPQHZJCHKQB-NSHDSACASA-N 1 2 287.367 0.123 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@@H]1CCCO1 ZINC000865531042 613151139 /nfs/dbraw/zinc/15/11/39/613151139.db2.gz FDRFJDARBOVXKP-QEJZJMRPSA-N 1 2 290.367 0.585 20 30 CCEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000877616715 613159503 /nfs/dbraw/zinc/15/95/03/613159503.db2.gz GIPBKXICWRWSGY-JTQLQIEISA-N 1 2 268.338 0.772 20 30 CCEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000877616715 613159505 /nfs/dbraw/zinc/15/95/05/613159505.db2.gz GIPBKXICWRWSGY-JTQLQIEISA-N 1 2 268.338 0.772 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(COC)n2)CC1 ZINC000983132348 613159863 /nfs/dbraw/zinc/15/98/63/613159863.db2.gz ICUHGQKZDQVTPZ-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(COC)n2)CC1 ZINC000983132348 613159864 /nfs/dbraw/zinc/15/98/64/613159864.db2.gz ICUHGQKZDQVTPZ-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=O)n2C)C1 ZINC000923557819 613174287 /nfs/dbraw/zinc/17/42/87/613174287.db2.gz SCMZVYMZTSPVOA-GFCCVEGCSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=O)n2C)C1 ZINC000923557819 613174288 /nfs/dbraw/zinc/17/42/88/613174288.db2.gz SCMZVYMZTSPVOA-GFCCVEGCSA-N 1 2 273.336 0.665 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cn1 ZINC000804437210 613175251 /nfs/dbraw/zinc/17/52/51/613175251.db2.gz AGKDDXHPJNFWKH-CJNGLKHVSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000885514231 613176033 /nfs/dbraw/zinc/17/60/33/613176033.db2.gz UJNZPPSWCXJWNO-UONOGXRCSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000885514231 613176036 /nfs/dbraw/zinc/17/60/36/613176036.db2.gz UJNZPPSWCXJWNO-UONOGXRCSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC000923566977 613181140 /nfs/dbraw/zinc/18/11/40/613181140.db2.gz VLZLYOBXVMWQOH-KGLIPLIRSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC000923566977 613181142 /nfs/dbraw/zinc/18/11/42/613181142.db2.gz VLZLYOBXVMWQOH-KGLIPLIRSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[S@@](=O)CC)C1 ZINC000884153104 613185807 /nfs/dbraw/zinc/18/58/07/613185807.db2.gz CNAHZGVANYUNJH-BUXKBTBVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@@](=O)CC)C1 ZINC000884153104 613185808 /nfs/dbraw/zinc/18/58/08/613185808.db2.gz CNAHZGVANYUNJH-BUXKBTBVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)cc1 ZINC000970255420 613187949 /nfs/dbraw/zinc/18/79/49/613187949.db2.gz HKTNVVVXUHRCMP-LLVKDONJSA-N 1 2 285.347 0.203 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000902730110 613192533 /nfs/dbraw/zinc/19/25/33/613192533.db2.gz OUBPHBYHABFSHF-NSHDSACASA-N 1 2 290.371 0.256 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000902730110 613192536 /nfs/dbraw/zinc/19/25/36/613192536.db2.gz OUBPHBYHABFSHF-NSHDSACASA-N 1 2 290.371 0.256 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](CC)OC)C1 ZINC000885508774 613193035 /nfs/dbraw/zinc/19/30/35/613193035.db2.gz KTTBEEWFGDMXER-QWHCGFSZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](CC)OC)C1 ZINC000885508774 613193036 /nfs/dbraw/zinc/19/30/36/613193036.db2.gz KTTBEEWFGDMXER-QWHCGFSZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000862458379 613193415 /nfs/dbraw/zinc/19/34/15/613193415.db2.gz DSZDXBNEZZGDQT-OAHLLOKOSA-N 1 2 287.363 0.798 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000862458379 613193416 /nfs/dbraw/zinc/19/34/16/613193416.db2.gz DSZDXBNEZZGDQT-OAHLLOKOSA-N 1 2 287.363 0.798 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000855326718 613201379 /nfs/dbraw/zinc/20/13/79/613201379.db2.gz RCIUQGOZNJKXJE-UTUOFQBUSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000855326718 613201380 /nfs/dbraw/zinc/20/13/80/613201380.db2.gz RCIUQGOZNJKXJE-UTUOFQBUSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(OC)OC ZINC000839764224 613201931 /nfs/dbraw/zinc/20/19/31/613201931.db2.gz KNADYKGLJHYDKC-MNOVXSKESA-N 1 2 254.330 0.208 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870475409 613201579 /nfs/dbraw/zinc/20/15/79/613201579.db2.gz SYDMLZAPPPRNKS-LPWJVIDDSA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870475409 613201580 /nfs/dbraw/zinc/20/15/80/613201580.db2.gz SYDMLZAPPPRNKS-LPWJVIDDSA-N 1 2 250.342 0.766 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(OC)OC ZINC000839764224 613201930 /nfs/dbraw/zinc/20/19/30/613201930.db2.gz KNADYKGLJHYDKC-MNOVXSKESA-N 1 2 254.330 0.208 20 30 CCEDLO C#Cc1cccnc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000853427241 613208135 /nfs/dbraw/zinc/20/81/35/613208135.db2.gz KMVQMPPUYSFCFB-CQSZACIVSA-N 1 2 275.352 0.192 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC2CC2)CC1 ZINC000830462278 613209834 /nfs/dbraw/zinc/20/98/34/613209834.db2.gz OSJSIFFQIHWDKK-UHFFFAOYSA-N 1 2 259.357 0.752 20 30 CCEDLO C#CC[NH+]1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000865427784 613209951 /nfs/dbraw/zinc/20/99/51/613209951.db2.gz XXXAMDCCRLLIPR-UHFFFAOYSA-N 1 2 282.351 0.368 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000949295488 613210259 /nfs/dbraw/zinc/21/02/59/613210259.db2.gz LCLIZFNBGMYGMF-UHFFFAOYSA-N 1 2 287.363 0.955 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000949295488 613210260 /nfs/dbraw/zinc/21/02/60/613210260.db2.gz LCLIZFNBGMYGMF-UHFFFAOYSA-N 1 2 287.363 0.955 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC)CC2)C1 ZINC000949260934 613210320 /nfs/dbraw/zinc/21/03/20/613210320.db2.gz DOCFFDFIRFIGDJ-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC)CC2)C1 ZINC000949260934 613210322 /nfs/dbraw/zinc/21/03/22/613210322.db2.gz DOCFFDFIRFIGDJ-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000942599534 613243212 /nfs/dbraw/zinc/24/32/12/613243212.db2.gz BEDMVUJJOTWAOS-GXSJLCMTSA-N 1 2 264.304 0.622 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000942599534 613243213 /nfs/dbraw/zinc/24/32/13/613243213.db2.gz BEDMVUJJOTWAOS-GXSJLCMTSA-N 1 2 264.304 0.622 20 30 CCEDLO C=C(C)C[N@H+](C)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000857240935 613282539 /nfs/dbraw/zinc/28/25/39/613282539.db2.gz OZBZXKDFCJIWEA-GFCCVEGCSA-N 1 2 268.357 0.452 20 30 CCEDLO C=C(C)C[N@@H+](C)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000857240935 613282540 /nfs/dbraw/zinc/28/25/40/613282540.db2.gz OZBZXKDFCJIWEA-GFCCVEGCSA-N 1 2 268.357 0.452 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000950582028 613316357 /nfs/dbraw/zinc/31/63/57/613316357.db2.gz WHFYPQLPRXKKFP-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000950582028 613316359 /nfs/dbraw/zinc/31/63/59/613316359.db2.gz WHFYPQLPRXKKFP-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852640063 613328270 /nfs/dbraw/zinc/32/82/70/613328270.db2.gz ZCESENYJHJKMSD-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852640063 613328271 /nfs/dbraw/zinc/32/82/71/613328271.db2.gz ZCESENYJHJKMSD-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651108 613329958 /nfs/dbraw/zinc/32/99/58/613329958.db2.gz HCVIJVKHCHPIMU-UHFFFAOYSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852651108 613329960 /nfs/dbraw/zinc/32/99/60/613329960.db2.gz HCVIJVKHCHPIMU-UHFFFAOYSA-N 1 2 262.353 0.627 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440273 613334423 /nfs/dbraw/zinc/33/44/23/613334423.db2.gz UMDRZPKBXARHFS-WDEREUQCSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000968440273 613334424 /nfs/dbraw/zinc/33/44/24/613334424.db2.gz UMDRZPKBXARHFS-WDEREUQCSA-N 1 2 263.345 0.821 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000882899575 613354468 /nfs/dbraw/zinc/35/44/68/613354468.db2.gz QOCMNFMAOMCBLV-NSHDSACASA-N 1 2 251.330 0.796 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(=O)OC ZINC000870544380 613355698 /nfs/dbraw/zinc/35/56/98/613355698.db2.gz FPHIUBMAXDSLIF-DSYXLKISSA-N 1 2 296.367 0.499 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000865303879 613356998 /nfs/dbraw/zinc/35/69/98/613356998.db2.gz OKHWBIGSCHHMAI-NEPJUHHUSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000865303879 613356999 /nfs/dbraw/zinc/35/69/99/613356999.db2.gz OKHWBIGSCHHMAI-NEPJUHHUSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)[C@@H](CO)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860081431 613360561 /nfs/dbraw/zinc/36/05/61/613360561.db2.gz XBNIQTSBPOLYNG-LLVKDONJSA-N 1 2 275.356 0.770 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844339694 613362330 /nfs/dbraw/zinc/36/23/30/613362330.db2.gz BDKFSZWBQRVFBC-LBPRGKRZSA-N 1 2 298.383 0.409 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000970315237 613371568 /nfs/dbraw/zinc/37/15/68/613371568.db2.gz VQAYORGEEXCQRE-ZYHUDNBSSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2N)C1 ZINC000969540524 613372022 /nfs/dbraw/zinc/37/20/22/613372022.db2.gz SOXIMTVYSMKNED-SECBINFHSA-N 1 2 297.790 0.805 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCNC2=O)C1 ZINC000970265038 613372121 /nfs/dbraw/zinc/37/21/21/613372121.db2.gz MMARGNSJBJEUEU-GXSJLCMTSA-N 1 2 285.775 0.312 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675964 613379572 /nfs/dbraw/zinc/37/95/72/613379572.db2.gz SFUOYINYNWTXFO-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675964 613379573 /nfs/dbraw/zinc/37/95/73/613379573.db2.gz SFUOYINYNWTXFO-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943675964 613379574 /nfs/dbraw/zinc/37/95/74/613379574.db2.gz SFUOYINYNWTXFO-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943675964 613379575 /nfs/dbraw/zinc/37/95/75/613379575.db2.gz SFUOYINYNWTXFO-SCZZXKLOSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977490824 613380854 /nfs/dbraw/zinc/38/08/54/613380854.db2.gz XIVBIOPJTATECW-JTQLQIEISA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977490824 613380855 /nfs/dbraw/zinc/38/08/55/613380855.db2.gz XIVBIOPJTATECW-JTQLQIEISA-N 1 2 297.790 0.926 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)C1 ZINC000981909300 613393370 /nfs/dbraw/zinc/39/33/70/613393370.db2.gz JVPNEYYGFZGICW-LBPRGKRZSA-N 1 2 279.384 0.751 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)C1 ZINC000981909300 613393371 /nfs/dbraw/zinc/39/33/71/613393371.db2.gz JVPNEYYGFZGICW-LBPRGKRZSA-N 1 2 279.384 0.751 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946447 613397527 /nfs/dbraw/zinc/39/75/27/613397527.db2.gz JYOMYQHKNZEYRJ-UWVGGRQHSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946447 613397531 /nfs/dbraw/zinc/39/75/31/613397531.db2.gz JYOMYQHKNZEYRJ-UWVGGRQHSA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000878991081 613398988 /nfs/dbraw/zinc/39/89/88/613398988.db2.gz UOVAIYSJWIWURN-RYUDHWBXSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000878991081 613398990 /nfs/dbraw/zinc/39/89/90/613398990.db2.gz UOVAIYSJWIWURN-RYUDHWBXSA-N 1 2 283.372 0.792 20 30 CCEDLO C=CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)C(=O)OC ZINC000905848897 613405593 /nfs/dbraw/zinc/40/55/93/613405593.db2.gz BPMZMSGUCKVPLX-GHMZBOCLSA-N 1 2 254.330 0.562 20 30 CCEDLO CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC000956569332 613417463 /nfs/dbraw/zinc/41/74/63/613417463.db2.gz HCRQRBKDDUBDDQ-OAHLLOKOSA-N 1 2 289.379 0.165 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981754293 613431644 /nfs/dbraw/zinc/43/16/44/613431644.db2.gz BRDDYLZVNLOIEU-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981754293 613431646 /nfs/dbraw/zinc/43/16/46/613431646.db2.gz BRDDYLZVNLOIEU-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838114947 613470765 /nfs/dbraw/zinc/47/07/65/613470765.db2.gz NQRBVRQZAHHKFJ-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838114947 613470766 /nfs/dbraw/zinc/47/07/66/613470766.db2.gz NQRBVRQZAHHKFJ-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000981887311 613473033 /nfs/dbraw/zinc/47/30/33/613473033.db2.gz AHMFKSMQEHIANI-WFASDCNBSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000981887311 613473034 /nfs/dbraw/zinc/47/30/34/613473034.db2.gz AHMFKSMQEHIANI-WFASDCNBSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C2OCCO2)CC1 ZINC000800338239 613482059 /nfs/dbraw/zinc/48/20/59/613482059.db2.gz VRMVSIYQDMYJTJ-LLVKDONJSA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311490 613482576 /nfs/dbraw/zinc/48/25/76/613482576.db2.gz ADBRTUZQVPNIOZ-GRYCIOLGSA-N 1 2 252.314 0.124 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311490 613482578 /nfs/dbraw/zinc/48/25/78/613482578.db2.gz ADBRTUZQVPNIOZ-GRYCIOLGSA-N 1 2 252.314 0.124 20 30 CCEDLO C=C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925602265 613482918 /nfs/dbraw/zinc/48/29/18/613482918.db2.gz SVYKYJHEQHBDBP-RYUDHWBXSA-N 1 2 255.362 0.971 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925604301 613523899 /nfs/dbraw/zinc/52/38/99/613523899.db2.gz JAPVNUNIZIHNAO-CYBMUJFWSA-N 1 2 267.373 0.762 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CC3)CC2)C1 ZINC000941272766 613529275 /nfs/dbraw/zinc/52/92/75/613529275.db2.gz RNDISNRNKPIBTI-UHFFFAOYSA-N 1 2 261.369 0.248 20 30 CCEDLO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000969079484 613546215 /nfs/dbraw/zinc/54/62/15/613546215.db2.gz NYCDCGHBQWCXLG-GFCCVEGCSA-N 1 2 275.356 0.802 20 30 CCEDLO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000969079484 613546216 /nfs/dbraw/zinc/54/62/16/613546216.db2.gz NYCDCGHBQWCXLG-GFCCVEGCSA-N 1 2 275.356 0.802 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccnn2C)CC1 ZINC000948592476 613562106 /nfs/dbraw/zinc/56/21/06/613562106.db2.gz CAMAHQMRTOPWHV-UHFFFAOYSA-N 1 2 274.368 0.520 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 ZINC000949613336 613562371 /nfs/dbraw/zinc/56/23/71/613562371.db2.gz CTYFOVHHVKNXCN-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC000957307111 613562661 /nfs/dbraw/zinc/56/26/61/613562661.db2.gz HSIDYKYJOSXUAD-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948927080 613565198 /nfs/dbraw/zinc/56/51/98/613565198.db2.gz UYXSOTYMDHSCHJ-CQSZACIVSA-N 1 2 286.379 0.613 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000948921171 613568857 /nfs/dbraw/zinc/56/88/57/613568857.db2.gz ASDSHRLTWMDRJP-UHFFFAOYSA-N 1 2 273.336 0.166 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)C(C)C ZINC000839247784 613601688 /nfs/dbraw/zinc/60/16/88/613601688.db2.gz KFVJKTCZJYLZJC-UHFFFAOYSA-N 1 2 267.373 0.574 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](NC(=O)Cc2nnc[nH]2)C(C)(C)C1 ZINC000977470525 613621371 /nfs/dbraw/zinc/62/13/71/613621371.db2.gz GAVDZKAGNJJADG-NSHDSACASA-N 1 2 275.356 0.197 20 30 CCEDLO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nnc[nH]2)C(C)(C)C1 ZINC000977470525 613621372 /nfs/dbraw/zinc/62/13/72/613621372.db2.gz GAVDZKAGNJJADG-NSHDSACASA-N 1 2 275.356 0.197 20 30 CCEDLO C=CC[N@H+](CN1CC(=O)N(C)C1=O)[C@@H](C)COC ZINC000853535274 613650394 /nfs/dbraw/zinc/65/03/94/613650394.db2.gz SDQQUFRSVSPLTD-JTQLQIEISA-N 1 2 255.318 0.361 20 30 CCEDLO C=CC[N@@H+](CN1CC(=O)N(C)C1=O)[C@@H](C)COC ZINC000853535274 613650396 /nfs/dbraw/zinc/65/03/96/613650396.db2.gz SDQQUFRSVSPLTD-JTQLQIEISA-N 1 2 255.318 0.361 20 30 CCEDLO C=CC[N@H+](CCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975696 613650458 /nfs/dbraw/zinc/65/04/58/613650458.db2.gz IKWFVHKSJMKKSK-CHWSQXEVSA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[N@@H+](CCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975696 613650459 /nfs/dbraw/zinc/65/04/59/613650459.db2.gz IKWFVHKSJMKKSK-CHWSQXEVSA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[N@H+](CC[C@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120533195 613650617 /nfs/dbraw/zinc/65/06/17/613650617.db2.gz METLAJNVXIPZNW-NWDGAFQWSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[N@@H+](CC[C@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120533195 613650621 /nfs/dbraw/zinc/65/06/21/613650621.db2.gz METLAJNVXIPZNW-NWDGAFQWSA-N 1 2 287.381 0.615 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2ncccn2)CC1 ZINC000952335605 613708316 /nfs/dbraw/zinc/70/83/16/613708316.db2.gz VVDFYNMGAPZVRI-UHFFFAOYSA-N 1 2 260.341 0.739 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC000948715720 613708980 /nfs/dbraw/zinc/70/89/80/613708980.db2.gz LZKUAFRGRDFYDG-GFCCVEGCSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2nonc2C)CC1 ZINC000956993332 613709743 /nfs/dbraw/zinc/70/97/43/613709743.db2.gz DODUAOBHFLBALD-UHFFFAOYSA-N 1 2 250.302 0.251 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2ccc(C)cc2=O)CC1 ZINC000951003380 613709952 /nfs/dbraw/zinc/70/99/52/613709952.db2.gz WIVUXHOJGHTATA-UHFFFAOYSA-N 1 2 275.352 0.487 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)CC1 ZINC000949442720 613710390 /nfs/dbraw/zinc/71/03/90/613710390.db2.gz GHNPMNWLSYZPAP-QWHCGFSZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 ZINC000949485108 613711217 /nfs/dbraw/zinc/71/12/17/613711217.db2.gz ZBXOQFZLHGNPKJ-LBPRGKRZSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000950631142 613711934 /nfs/dbraw/zinc/71/19/34/613711934.db2.gz ZVNZTEISWXIMFE-UONOGXRCSA-N 1 2 274.368 0.854 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000949173286 613712957 /nfs/dbraw/zinc/71/29/57/613712957.db2.gz FEZCZADOXXWECM-AWEZNQCLSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000950347310 613713143 /nfs/dbraw/zinc/71/31/43/613713143.db2.gz NAIJFDLQLKYAQS-STQMWFEESA-N 1 2 252.358 0.989 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000949130418 613716882 /nfs/dbraw/zinc/71/68/82/613716882.db2.gz RJEBXFGRWAYGAE-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3nccn3c2)CC1 ZINC000949302901 613718350 /nfs/dbraw/zinc/71/83/50/613718350.db2.gz VNIZUFKPXACYAM-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317500 613845643 /nfs/dbraw/zinc/84/56/43/613845643.db2.gz UOAVIHODWNRUKO-UHFFFAOYSA-N 1 2 260.341 0.636 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317500 613845644 /nfs/dbraw/zinc/84/56/44/613845644.db2.gz UOAVIHODWNRUKO-UHFFFAOYSA-N 1 2 260.341 0.636 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1CCOC[C@@H]1CC ZINC000871688718 613857266 /nfs/dbraw/zinc/85/72/66/613857266.db2.gz QNVMASRTKXIXHF-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000871688718 613857268 /nfs/dbraw/zinc/85/72/68/613857268.db2.gz QNVMASRTKXIXHF-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](OCC)C1 ZINC000884088594 613877651 /nfs/dbraw/zinc/87/76/51/613877651.db2.gz ONRXXLCYOGXMAE-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000884432844 613877769 /nfs/dbraw/zinc/87/77/69/613877769.db2.gz QYDXHNLUFRKEKD-WOPDTQHZSA-N 1 2 298.408 0.930 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000884468998 613877919 /nfs/dbraw/zinc/87/79/19/613877919.db2.gz SQFXPBOFWFKLHA-XQQFMLRXSA-N 1 2 278.352 0.858 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1nccs1 ZINC000884324134 613878423 /nfs/dbraw/zinc/87/84/23/613878423.db2.gz IIGBRJDIFCELRM-ZJUUUORDSA-N 1 2 297.380 0.809 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)C1CC1 ZINC000884102639 613878441 /nfs/dbraw/zinc/87/84/41/613878441.db2.gz IVUQTYOFHWPAAV-ONGXEEELSA-N 1 2 254.330 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cscn1 ZINC000884205700 613878501 /nfs/dbraw/zinc/87/85/01/613878501.db2.gz CTMXLOOTYZSVFP-VIFPVBQESA-N 1 2 269.326 0.206 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccccn1 ZINC000884391311 613878586 /nfs/dbraw/zinc/87/85/86/613878586.db2.gz XLUPGDMPSDLPNY-AAEUAGOBSA-N 1 2 291.351 0.575 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1scnc1C ZINC000884212061 613878593 /nfs/dbraw/zinc/87/85/93/613878593.db2.gz VGJIOTLTZBBYQZ-VIFPVBQESA-N 1 2 283.353 0.514 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOCC1 ZINC000884314914 613878720 /nfs/dbraw/zinc/87/87/20/613878720.db2.gz AIUSTNJMYXFOJQ-QWRGUYRKSA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CCSC ZINC000884142472 613878805 /nfs/dbraw/zinc/87/88/05/613878805.db2.gz AJERPIBMTXLFEH-ZJUUUORDSA-N 1 2 274.386 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000884439955 613878848 /nfs/dbraw/zinc/87/88/48/613878848.db2.gz UWBWMHCXOSZAFY-WOPDTQHZSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCOC[C@H](NC(=O)CNc1cccc[nH+]1)C(=O)OC ZINC000907928955 613882360 /nfs/dbraw/zinc/88/23/60/613882360.db2.gz XVIKQQVTUAROQN-NSHDSACASA-N 1 2 293.323 0.354 20 30 CCEDLO C=CCONC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854118261 613883559 /nfs/dbraw/zinc/88/35/59/613883559.db2.gz OUSOJTNRXOLBEU-LLVKDONJSA-N 1 2 255.318 0.220 20 30 CCEDLO C=CCONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000834921046 613883865 /nfs/dbraw/zinc/88/38/65/613883865.db2.gz WMTRQJOAOTVUKA-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848543519 613885837 /nfs/dbraw/zinc/88/58/37/613885837.db2.gz GXTURPGNLDWKAI-LLVKDONJSA-N 1 2 269.370 0.908 20 30 CCEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137638121 613948888 /nfs/dbraw/zinc/94/88/88/613948888.db2.gz PNXJLCIOOOKMSP-UHFFFAOYSA-N 1 2 264.329 0.828 20 30 CCEDLO CC(C)(O)CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885983771 614188512 /nfs/dbraw/zinc/18/85/12/614188512.db2.gz PAQTWUXGOGCXQQ-AWEZNQCLSA-N 1 2 295.427 0.820 20 30 CCEDLO CC(C)(C#N)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867318698 614285555 /nfs/dbraw/zinc/28/55/55/614285555.db2.gz FEXPPJMTFZCXQY-ARJAWSKDSA-N 1 2 251.330 0.541 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1CCC(C)CC1 ZINC000121352606 614431395 /nfs/dbraw/zinc/43/13/95/614431395.db2.gz CKWLLJFUBVJRDK-JTQLQIEISA-N 1 2 257.334 0.305 20 30 CCEDLO CCC(=[NH+]NC(=S)NCC(=O)NC)c1ccc(N)cc1 ZINC000863091750 614444203 /nfs/dbraw/zinc/44/42/03/614444203.db2.gz QEOMCOOGAAPDNU-UHFFFAOYSA-N 1 2 293.396 0.593 20 30 CCEDLO CC1(C)OC[C@@H](C[NH+]2CCN(C(=O)CC#N)CC2)O1 ZINC000852125155 614821509 /nfs/dbraw/zinc/82/15/09/614821509.db2.gz DOFZYSDAMGXWQP-LLVKDONJSA-N 1 2 267.329 0.196 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886134342 615159160 /nfs/dbraw/zinc/15/91/60/615159160.db2.gz PNOSQMPWLVVTAZ-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886134342 615159162 /nfs/dbraw/zinc/15/91/62/615159162.db2.gz PNOSQMPWLVVTAZ-LBPRGKRZSA-N 1 2 265.357 0.595 20 30 CCEDLO CCOC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C1CCOCC1 ZINC000801941368 615283259 /nfs/dbraw/zinc/28/32/59/615283259.db2.gz MQKWBAKNURLDED-YPMHNXCESA-N 1 2 284.356 0.863 20 30 CCEDLO CC[C@@H](C)[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC ZINC000905767848 615466108 /nfs/dbraw/zinc/46/61/08/615466108.db2.gz OKSYFOKZWKHVIY-MWLCHTKSSA-N 1 2 265.317 0.327 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000928634351 615479284 /nfs/dbraw/zinc/47/92/84/615479284.db2.gz JGBDUOKZZIBMKL-DZGCQCFKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000928643949 615718802 /nfs/dbraw/zinc/71/88/02/615718802.db2.gz VYXVUBKPFRSYAE-LLVKDONJSA-N 1 2 276.340 0.727 20 30 CCEDLO CCc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1 ZINC000905973912 615818349 /nfs/dbraw/zinc/81/83/49/615818349.db2.gz PGMWNTDFUPGHJX-VIFPVBQESA-N 1 2 270.358 0.930 20 30 CCEDLO CCc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1 ZINC000905973912 615818354 /nfs/dbraw/zinc/81/83/54/615818354.db2.gz PGMWNTDFUPGHJX-VIFPVBQESA-N 1 2 270.358 0.930 20 30 CCEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCN(CC#N)CC1 ZINC000948873347 615829456 /nfs/dbraw/zinc/82/94/56/615829456.db2.gz GQNHYGFFFBHJNE-GFCCVEGCSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906469520 616039796 /nfs/dbraw/zinc/03/97/96/616039796.db2.gz GBZPUDCTUNMXJI-UHFFFAOYSA-N 1 2 276.340 0.416 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972376095 616041393 /nfs/dbraw/zinc/04/13/93/616041393.db2.gz XEVUBELNENAJKU-YNEHKIRRSA-N 1 2 287.367 0.580 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811010 616041437 /nfs/dbraw/zinc/04/14/37/616041437.db2.gz NPKLUKCUJLTEBL-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C[N@H+](CC(=O)n1ncc(C#N)c1N)[C@H]1CCSC1 ZINC000119704902 616050927 /nfs/dbraw/zinc/05/09/27/616050927.db2.gz YZLMCQWUEWURBI-VIFPVBQESA-N 1 2 265.342 0.414 20 30 CCEDLO C[N@@H+](CC(=O)n1ncc(C#N)c1N)[C@H]1CCSC1 ZINC000119704902 616050928 /nfs/dbraw/zinc/05/09/28/616050928.db2.gz YZLMCQWUEWURBI-VIFPVBQESA-N 1 2 265.342 0.414 20 30 CCEDLO CN(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930592808 616067528 /nfs/dbraw/zinc/06/75/28/616067528.db2.gz HBXYYXXGPKWJSY-OLZOCXBDSA-N 1 2 281.356 0.238 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1CO ZINC000913547346 616232138 /nfs/dbraw/zinc/23/21/38/616232138.db2.gz MHFJRXFZYKQFHP-JTQLQIEISA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1CO ZINC000913547346 616232139 /nfs/dbraw/zinc/23/21/39/616232139.db2.gz MHFJRXFZYKQFHP-JTQLQIEISA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2F)C[C@H]1CO ZINC000894883914 616247471 /nfs/dbraw/zinc/24/74/71/616247471.db2.gz BWGLGDBQBZWXBF-JTQLQIEISA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2F)C[C@H]1CO ZINC000894883914 616247472 /nfs/dbraw/zinc/24/74/72/616247472.db2.gz BWGLGDBQBZWXBF-JTQLQIEISA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@@H+]1CCN(c2snc(Cl)c2C#N)C[C@@H]1CO ZINC000894887771 616247917 /nfs/dbraw/zinc/24/79/17/616247917.db2.gz IWKFHWVNRQZSMI-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2snc(Cl)c2C#N)C[C@@H]1CO ZINC000894887771 616247918 /nfs/dbraw/zinc/24/79/18/616247918.db2.gz IWKFHWVNRQZSMI-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1cccc(C#N)n1 ZINC000895612171 616250732 /nfs/dbraw/zinc/25/07/32/616250732.db2.gz MDQZRMPNVUGLCQ-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@H+]1CCOC[C@]1(CO)CNc1cccc(C#N)n1 ZINC000895612171 616250733 /nfs/dbraw/zinc/25/07/33/616250733.db2.gz MDQZRMPNVUGLCQ-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)C2CCCC2)C1 ZINC000921541691 616260001 /nfs/dbraw/zinc/26/00/01/616260001.db2.gz BWVVJRRSSZYGEP-NEPJUHHUSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)C2CCCC2)C1 ZINC000921541691 616260002 /nfs/dbraw/zinc/26/00/02/616260002.db2.gz BWVVJRRSSZYGEP-NEPJUHHUSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)/C=C(\C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000929774136 616311602 /nfs/dbraw/zinc/31/16/02/616311602.db2.gz IUTWZZNSJHIGGX-WYMLVPIESA-N 1 2 295.383 0.654 20 30 CCEDLO COCC#CC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486080 616527645 /nfs/dbraw/zinc/52/76/45/616527645.db2.gz LVOFSTGPTPFVLK-UHFFFAOYSA-N 1 2 263.316 0.993 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886206246 616669623 /nfs/dbraw/zinc/66/96/23/616669623.db2.gz NZAHEBBSQBCOHH-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886206246 616669624 /nfs/dbraw/zinc/66/96/24/616669624.db2.gz NZAHEBBSQBCOHH-CHWSQXEVSA-N 1 2 296.367 0.695 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779469 616708436 /nfs/dbraw/zinc/70/84/36/616708436.db2.gz ZTXZFWOMANSJFK-QMMMGPOBSA-N 1 2 280.353 0.896 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779469 616708440 /nfs/dbraw/zinc/70/84/40/616708440.db2.gz ZTXZFWOMANSJFK-QMMMGPOBSA-N 1 2 280.353 0.896 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)nn1 ZINC000922760676 616736499 /nfs/dbraw/zinc/73/64/99/616736499.db2.gz YGSXXFAAYVEWGI-UHFFFAOYSA-N 1 2 299.334 0.921 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283643 616774893 /nfs/dbraw/zinc/77/48/93/616774893.db2.gz CRNPNEMAMRWZJV-NEPJUHHUSA-N 1 2 254.330 0.736 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283643 616774897 /nfs/dbraw/zinc/77/48/97/616774897.db2.gz CRNPNEMAMRWZJV-NEPJUHHUSA-N 1 2 254.330 0.736 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000815137471 616778145 /nfs/dbraw/zinc/77/81/45/616778145.db2.gz VGNYEIUQJUQAIS-QWHCGFSZSA-N 1 2 277.324 0.024 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000815137471 616778149 /nfs/dbraw/zinc/77/81/49/616778149.db2.gz VGNYEIUQJUQAIS-QWHCGFSZSA-N 1 2 277.324 0.024 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901053637 616816493 /nfs/dbraw/zinc/81/64/93/616816493.db2.gz ZEGYFTGKFIMGJK-UNJUUPHPSA-N 1 2 281.356 0.310 20 30 CCEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCCC#N ZINC000842961720 616853313 /nfs/dbraw/zinc/85/33/13/616853313.db2.gz AFTIWWYJXMPCMU-QWHCGFSZSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCCC#N ZINC000842961720 616853314 /nfs/dbraw/zinc/85/33/14/616853314.db2.gz AFTIWWYJXMPCMU-QWHCGFSZSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCCC#N ZINC000842961718 616854567 /nfs/dbraw/zinc/85/45/67/616854567.db2.gz AFTIWWYJXMPCMU-CHWSQXEVSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCCC#N ZINC000842961718 616854572 /nfs/dbraw/zinc/85/45/72/616854572.db2.gz AFTIWWYJXMPCMU-CHWSQXEVSA-N 1 2 284.356 0.959 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000886854364 616933044 /nfs/dbraw/zinc/93/30/44/616933044.db2.gz LGFUMKKMYLQDKG-QWRGUYRKSA-N 1 2 294.355 0.368 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000886854364 616933046 /nfs/dbraw/zinc/93/30/46/616933046.db2.gz LGFUMKKMYLQDKG-QWRGUYRKSA-N 1 2 294.355 0.368 20 30 CCEDLO COCCN(CC#N)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909562174 616973600 /nfs/dbraw/zinc/97/36/00/616973600.db2.gz JYJJISLNNHQKPA-QBFSEMIESA-N 1 2 281.356 0.263 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000856752745 617016327 /nfs/dbraw/zinc/01/63/27/617016327.db2.gz LWOSRLSJCPJSNQ-CYBMUJFWSA-N 1 2 297.380 0.073 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000856752745 617016329 /nfs/dbraw/zinc/01/63/29/617016329.db2.gz LWOSRLSJCPJSNQ-CYBMUJFWSA-N 1 2 297.380 0.073 20 30 CCEDLO COC(=O)c1coc(C[NH2+][C@@H]2CCCN(O)C2=O)c1 ZINC000895162160 617016474 /nfs/dbraw/zinc/01/64/74/617016474.db2.gz XFCOINKSIMXDAI-SNVBAGLBSA-N 1 2 268.269 0.536 20 30 CCEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]12 ZINC001026324959 625398416 /nfs/dbraw/zinc/39/84/16/625398416.db2.gz RYZZTHWPKYQGDW-MGPQQGTHSA-N 1 2 287.367 0.623 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001008150882 625413720 /nfs/dbraw/zinc/41/37/20/625413720.db2.gz WFHLGHNOHBIOSM-CQSZACIVSA-N 1 2 285.347 0.347 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001008150882 625413726 /nfs/dbraw/zinc/41/37/26/625413726.db2.gz WFHLGHNOHBIOSM-CQSZACIVSA-N 1 2 285.347 0.347 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCC1 ZINC000930793805 625433666 /nfs/dbraw/zinc/43/36/66/625433666.db2.gz CEVMYAIBUAVSOS-OLZOCXBDSA-N 1 2 293.367 0.429 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972295410 622746606 /nfs/dbraw/zinc/74/66/06/622746606.db2.gz TVXDVFZLTLBQEW-ZFWWWQNUSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972295410 622746612 /nfs/dbraw/zinc/74/66/12/622746612.db2.gz TVXDVFZLTLBQEW-ZFWWWQNUSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001018160192 623647530 /nfs/dbraw/zinc/64/75/30/623647530.db2.gz WZRXLPVTJKTETM-GASCZTMLSA-N 1 2 286.379 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001018160192 623647537 /nfs/dbraw/zinc/64/75/37/623647537.db2.gz WZRXLPVTJKTETM-GASCZTMLSA-N 1 2 286.379 0.754 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687134 623811302 /nfs/dbraw/zinc/81/13/02/623811302.db2.gz MIOTZLJYRMHYGH-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO Cc1cc(C#N)nc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000892857244 623855213 /nfs/dbraw/zinc/85/52/13/623855213.db2.gz UQXBKZCSEIBIHJ-AWEZNQCLSA-N 1 2 290.367 0.391 20 30 CCEDLO N#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701275 624812689 /nfs/dbraw/zinc/81/26/89/624812689.db2.gz WYSIDBLUCCCJIL-OLZOCXBDSA-N 1 2 287.367 0.789 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971222695 624828974 /nfs/dbraw/zinc/82/89/74/624828974.db2.gz ZRVDIAXBVKGSKZ-AAEUAGOBSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971222695 624828975 /nfs/dbraw/zinc/82/89/75/624828975.db2.gz ZRVDIAXBVKGSKZ-AAEUAGOBSA-N 1 2 275.356 0.612 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022303630 624917638 /nfs/dbraw/zinc/91/76/38/624917638.db2.gz FZQHHTGSPGWHBI-UTUOFQBUSA-N 1 2 273.340 0.206 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(C2CC2)n1 ZINC000891901368 624990453 /nfs/dbraw/zinc/99/04/53/624990453.db2.gz BTHZTRPWBNODHC-UHFFFAOYSA-N 1 2 259.357 0.939 20 30 CCEDLO N#CCc1ccsc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000866861618 625037034 /nfs/dbraw/zinc/03/70/34/625037034.db2.gz SIKDGIUTOQFWNY-LBPRGKRZSA-N 1 2 290.392 0.544 20 30 CCEDLO N#CCc1ccsc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000866861617 625037255 /nfs/dbraw/zinc/03/72/55/625037255.db2.gz SIKDGIUTOQFWNY-GFCCVEGCSA-N 1 2 290.392 0.544 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702135 630860356 /nfs/dbraw/zinc/86/03/56/630860356.db2.gz UTMFOGZMQOQMGQ-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1N ZINC001027836276 630962667 /nfs/dbraw/zinc/96/26/67/630962667.db2.gz IPDZIXFQQMJWNG-JTQLQIEISA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1N ZINC001027836276 630962671 /nfs/dbraw/zinc/96/26/71/630962671.db2.gz IPDZIXFQQMJWNG-JTQLQIEISA-N 1 2 297.790 0.949 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000981380127 631272360 /nfs/dbraw/zinc/27/23/60/631272360.db2.gz CYSIEIPBJPAOAJ-VXGBXAGGSA-N 1 2 273.340 0.571 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000981380127 631272367 /nfs/dbraw/zinc/27/23/67/631272367.db2.gz CYSIEIPBJPAOAJ-VXGBXAGGSA-N 1 2 273.340 0.571 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981484122 631283080 /nfs/dbraw/zinc/28/30/80/631283080.db2.gz OBJOWLJLQJVLDU-CYBMUJFWSA-N 1 2 287.367 0.503 20 30 CCEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000968128099 650007884 /nfs/dbraw/zinc/00/78/84/650007884.db2.gz GFDDKWQLUGNTRY-ZFWWWQNUSA-N 1 2 299.374 0.350 20 30 CCEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O ZINC000968128099 650007885 /nfs/dbraw/zinc/00/78/85/650007885.db2.gz GFDDKWQLUGNTRY-ZFWWWQNUSA-N 1 2 299.374 0.350 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cc3n(n2)CCC3)CCCN1O ZINC000895156979 631988029 /nfs/dbraw/zinc/98/80/29/631988029.db2.gz JQRPFDXVZIBUCQ-LLVKDONJSA-N 1 2 250.302 0.299 20 30 CCEDLO COc1cnc(F)c(C[NH2+][C@@H]2CCCN(O)C2=O)c1 ZINC000895157791 631990426 /nfs/dbraw/zinc/99/04/26/631990426.db2.gz SYZUXUHISIVTPA-SNVBAGLBSA-N 1 2 269.276 0.699 20 30 CCEDLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnn1CCC#N ZINC000895426490 632078393 /nfs/dbraw/zinc/07/83/93/632078393.db2.gz AWOWZNDSUNPRNU-UHFFFAOYSA-N 1 2 261.329 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734992 650089638 /nfs/dbraw/zinc/08/96/38/650089638.db2.gz AKAXAUIBICUOPP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007734992 650089640 /nfs/dbraw/zinc/08/96/40/650089640.db2.gz AKAXAUIBICUOPP-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022485 650099741 /nfs/dbraw/zinc/09/97/41/650099741.db2.gz DKQAJORELLUUCJ-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001008022485 650099743 /nfs/dbraw/zinc/09/97/43/650099743.db2.gz DKQAJORELLUUCJ-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001008307891 650109569 /nfs/dbraw/zinc/10/95/69/650109569.db2.gz ZDGXDIHRBHTFDU-LSDHHAIUSA-N 1 2 295.427 0.862 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001008307891 650109574 /nfs/dbraw/zinc/10/95/74/650109574.db2.gz ZDGXDIHRBHTFDU-LSDHHAIUSA-N 1 2 295.427 0.862 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H](NCC#N)C[C@@H]1C ZINC000989039421 633139246 /nfs/dbraw/zinc/13/92/46/633139246.db2.gz FMJPUVBCRJONSL-WCQYABFASA-N 1 2 288.351 0.735 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NCC#N)C[C@H]1C ZINC000989039424 633139985 /nfs/dbraw/zinc/13/99/85/633139985.db2.gz FMJPUVBCRJONSL-YPMHNXCESA-N 1 2 288.351 0.735 20 30 CCEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCOCC1 ZINC000898495397 633612436 /nfs/dbraw/zinc/61/24/36/633612436.db2.gz RMTIYNZIRURDIM-LBPRGKRZSA-N 1 2 283.347 0.857 20 30 CCEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCOCC1 ZINC000898495397 633612438 /nfs/dbraw/zinc/61/24/38/633612438.db2.gz RMTIYNZIRURDIM-LBPRGKRZSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCCOC1 ZINC000898507383 633613041 /nfs/dbraw/zinc/61/30/41/633613041.db2.gz ODUMJNYIWBFMCR-TZMCWYRMSA-N 1 2 283.347 0.857 20 30 CCEDLO N#C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCCOC1 ZINC000898507383 633613048 /nfs/dbraw/zinc/61/30/48/633613048.db2.gz ODUMJNYIWBFMCR-TZMCWYRMSA-N 1 2 283.347 0.857 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502258 633615094 /nfs/dbraw/zinc/61/50/94/633615094.db2.gz MQMUWLLJKLKBPD-WDEREUQCSA-N 1 2 294.334 0.261 20 30 CCEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000898502258 633615106 /nfs/dbraw/zinc/61/51/06/633615106.db2.gz MQMUWLLJKLKBPD-WDEREUQCSA-N 1 2 294.334 0.261 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1ccc(C#N)cc1 ZINC000898883203 633679361 /nfs/dbraw/zinc/67/93/61/633679361.db2.gz FXXNLEVVSMCYMG-CYBMUJFWSA-N 1 2 284.319 0.684 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900802695 634106939 /nfs/dbraw/zinc/10/69/39/634106939.db2.gz FRHNIPJDVUNDMX-IJLUTSLNSA-N 1 2 252.362 0.287 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900802695 634106942 /nfs/dbraw/zinc/10/69/42/634106942.db2.gz FRHNIPJDVUNDMX-IJLUTSLNSA-N 1 2 252.362 0.287 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(CC#N)C1 ZINC001009206020 650139855 /nfs/dbraw/zinc/13/98/55/650139855.db2.gz CDIYFQJFWAWIQZ-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO O=S1(=O)CCC(C=[NH+]n2nnc3c2CCCC3)CC1 ZINC000901329026 634228998 /nfs/dbraw/zinc/22/89/98/634228998.db2.gz RNOVOXGPAXLBRM-UHFFFAOYSA-N 1 2 282.369 0.816 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC2CCC1CC2 ZINC000906043915 634952618 /nfs/dbraw/zinc/95/26/18/634952618.db2.gz HNUZGJFWERVDPR-ZBCRRDGASA-N 1 2 291.395 0.843 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)ncc1C#N ZINC000912737307 636661808 /nfs/dbraw/zinc/66/18/08/636661808.db2.gz JGQKLHBHLWYSSZ-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)ncc1C#N ZINC000912737307 636661811 /nfs/dbraw/zinc/66/18/11/636661811.db2.gz JGQKLHBHLWYSSZ-LBPRGKRZSA-N 1 2 274.324 0.010 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)CC(C)(C)C#N)CC[NH2+]2)cn1 ZINC000913460356 636813206 /nfs/dbraw/zinc/81/32/06/636813206.db2.gz INMRNOQVHKJNMI-LBPRGKRZSA-N 1 2 275.356 0.833 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913459941 636813284 /nfs/dbraw/zinc/81/32/84/636813284.db2.gz DHCWPPFAJIKPPC-AWEZNQCLSA-N 1 2 299.334 0.980 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC[NH2+]2)cn1 ZINC000913464668 636818936 /nfs/dbraw/zinc/81/89/36/636818936.db2.gz WVSFYHMLCYVDTQ-CYBMUJFWSA-N 1 2 284.323 0.407 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992164668 637327932 /nfs/dbraw/zinc/32/79/32/637327932.db2.gz YJMZAYYQXKQZTI-BXKDBHETSA-N 1 2 271.748 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992164668 637327939 /nfs/dbraw/zinc/32/79/39/637327939.db2.gz YJMZAYYQXKQZTI-BXKDBHETSA-N 1 2 271.748 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503638 637678199 /nfs/dbraw/zinc/67/81/99/637678199.db2.gz LAURFOPPNPREHP-NXEZZACHSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503638 637678204 /nfs/dbraw/zinc/67/82/04/637678204.db2.gz LAURFOPPNPREHP-NXEZZACHSA-N 1 2 271.748 0.066 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993360666 637795382 /nfs/dbraw/zinc/79/53/82/637795382.db2.gz SELLHRMCWOZPKR-AAEUAGOBSA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H]1C ZINC000993360666 637795384 /nfs/dbraw/zinc/79/53/84/637795384.db2.gz SELLHRMCWOZPKR-AAEUAGOBSA-N 1 2 289.383 0.648 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001015672311 637814868 /nfs/dbraw/zinc/81/48/68/637814868.db2.gz QPUDZSIHSBHMSV-GHMZBOCLSA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001015672311 637814874 /nfs/dbraw/zinc/81/48/74/637814874.db2.gz QPUDZSIHSBHMSV-GHMZBOCLSA-N 1 2 265.357 0.407 20 30 CCEDLO CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1c[nH+]cn1C ZINC000993634044 637828093 /nfs/dbraw/zinc/82/80/93/637828093.db2.gz XDECZRVNQFDGBE-YUSALJHKSA-N 1 2 289.339 0.010 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1CC#N ZINC000994504027 637953858 /nfs/dbraw/zinc/95/38/58/637953858.db2.gz GEBQQEAIIOHTQF-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@H](C(=O)Nc1cc(C#N)ccc1O)N1CC[NH+](C)CC1 ZINC000179740274 638241836 /nfs/dbraw/zinc/24/18/36/638241836.db2.gz MUBMFTKZGJKRNU-LLVKDONJSA-N 1 2 288.351 0.838 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939407060 638360937 /nfs/dbraw/zinc/36/09/37/638360937.db2.gz YERKFKGPELXZSA-VXGBXAGGSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014406399 650448883 /nfs/dbraw/zinc/44/88/83/650448883.db2.gz KEHCITMEEVNPSB-LBPRGKRZSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014406399 650448886 /nfs/dbraw/zinc/44/88/86/650448886.db2.gz KEHCITMEEVNPSB-LBPRGKRZSA-N 1 2 282.775 0.906 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001003191303 639515434 /nfs/dbraw/zinc/51/54/34/639515434.db2.gz XRAISGCERNYACX-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001003269395 639524566 /nfs/dbraw/zinc/52/45/66/639524566.db2.gz VEJBVPZYIUVXKT-GFCCVEGCSA-N 1 2 298.408 0.025 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1nc(C#N)cs1 ZINC000887978560 640411200 /nfs/dbraw/zinc/41/12/00/640411200.db2.gz AFGPEGBMBQJUGX-UHFFFAOYSA-N 1 2 261.310 0.905 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779213320 640418400 /nfs/dbraw/zinc/41/84/00/640418400.db2.gz GHAISJFVLJGCMF-DZGCQCFKSA-N 1 2 296.330 0.919 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015665107 650605050 /nfs/dbraw/zinc/60/50/50/650605050.db2.gz FUIAHLUUUDQRBD-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015665107 650605052 /nfs/dbraw/zinc/60/50/52/650605052.db2.gz FUIAHLUUUDQRBD-SECBINFHSA-N 1 2 250.277 0.376 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCN1C1CC1 ZINC000806843388 640802611 /nfs/dbraw/zinc/80/26/11/640802611.db2.gz OPDOVSCKXFDICH-GFCCVEGCSA-N 1 2 273.340 0.541 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1=O ZINC000819897389 641439009 /nfs/dbraw/zinc/43/90/09/641439009.db2.gz QEALDOYBINWYLJ-ZDUSSCGKSA-N 1 2 284.323 0.606 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1=O ZINC000819897389 641439012 /nfs/dbraw/zinc/43/90/12/641439012.db2.gz QEALDOYBINWYLJ-ZDUSSCGKSA-N 1 2 284.323 0.606 20 30 CCEDLO C#C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000820412740 641504665 /nfs/dbraw/zinc/50/46/65/641504665.db2.gz PCMRUZQPNOCLJR-NEPJUHHUSA-N 1 2 253.346 0.370 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cn1 ZINC001016029782 650676489 /nfs/dbraw/zinc/67/64/89/650676489.db2.gz GOAQKVUKLLIFIS-ZDUSSCGKSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cn1 ZINC001016029782 650676490 /nfs/dbraw/zinc/67/64/90/650676490.db2.gz GOAQKVUKLLIFIS-ZDUSSCGKSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cn1 ZINC001016029781 650676637 /nfs/dbraw/zinc/67/66/37/650676637.db2.gz GOAQKVUKLLIFIS-CYBMUJFWSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cn1 ZINC001016029781 650676639 /nfs/dbraw/zinc/67/66/39/650676639.db2.gz GOAQKVUKLLIFIS-CYBMUJFWSA-N 1 2 261.300 0.837 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347432 650720870 /nfs/dbraw/zinc/72/08/70/650720870.db2.gz JGCSHTACEUQQDU-JTQLQIEISA-N 1 2 277.349 0.284 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347432 650720873 /nfs/dbraw/zinc/72/08/73/650720873.db2.gz JGCSHTACEUQQDU-JTQLQIEISA-N 1 2 277.349 0.284 20 30 CCEDLO Cc1ccc2c([n-]cc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2=O)[nH+]1 ZINC000834521225 642602214 /nfs/dbraw/zinc/60/22/14/642602214.db2.gz FGOQOGNYWOBAMR-JOYOIKCWSA-N 1 2 297.318 0.485 20 30 CCEDLO Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c2=O ZINC000834521225 642602219 /nfs/dbraw/zinc/60/22/19/642602219.db2.gz FGOQOGNYWOBAMR-JOYOIKCWSA-N 1 2 297.318 0.485 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC001017331774 650794561 /nfs/dbraw/zinc/79/45/61/650794561.db2.gz PRHROUCNHLYISS-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC001017331774 650794562 /nfs/dbraw/zinc/79/45/62/650794562.db2.gz PRHROUCNHLYISS-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017488147 650805687 /nfs/dbraw/zinc/80/56/87/650805687.db2.gz PPACRTFCTVADFB-BETUJISGSA-N 1 2 268.320 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017488147 650805689 /nfs/dbraw/zinc/80/56/89/650805689.db2.gz PPACRTFCTVADFB-BETUJISGSA-N 1 2 268.320 0.808 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017602810 650813478 /nfs/dbraw/zinc/81/34/78/650813478.db2.gz DXHKIFJWWXGPEI-OKILXGFUSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017602810 650813480 /nfs/dbraw/zinc/81/34/80/650813480.db2.gz DXHKIFJWWXGPEI-OKILXGFUSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001017670928 650817405 /nfs/dbraw/zinc/81/74/05/650817405.db2.gz LYAKTECWLQXDDW-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001017670928 650817406 /nfs/dbraw/zinc/81/74/06/650817406.db2.gz LYAKTECWLQXDDW-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001017670928 650817409 /nfs/dbraw/zinc/81/74/09/650817409.db2.gz LYAKTECWLQXDDW-SOUVJXGZSA-N 1 2 298.390 0.754 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]nc1C ZINC001017787377 650822312 /nfs/dbraw/zinc/82/23/12/650822312.db2.gz SBBZBUOBINMSSE-PHIMTYICSA-N 1 2 261.329 0.588 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]nc1C ZINC001017787377 650822315 /nfs/dbraw/zinc/82/23/15/650822315.db2.gz SBBZBUOBINMSSE-PHIMTYICSA-N 1 2 261.329 0.588 20 30 CCEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)cc1 ZINC001017876246 650829883 /nfs/dbraw/zinc/82/98/83/650829883.db2.gz WSDZNLQOZNMJFV-OKILXGFUSA-N 1 2 298.346 0.219 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)cc1 ZINC001017876246 650829885 /nfs/dbraw/zinc/82/98/85/650829885.db2.gz WSDZNLQOZNMJFV-OKILXGFUSA-N 1 2 298.346 0.219 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncn[nH]1 ZINC001018159489 650846191 /nfs/dbraw/zinc/84/61/91/650846191.db2.gz QPGCUBYQYQASCI-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncn[nH]1 ZINC001018159489 650846193 /nfs/dbraw/zinc/84/61/93/650846193.db2.gz QPGCUBYQYQASCI-TXEJJXNPSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cn1 ZINC001018332524 650853376 /nfs/dbraw/zinc/85/33/76/650853376.db2.gz PXQOIILCDFCTKR-BETUJISGSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cn1 ZINC001018332524 650853377 /nfs/dbraw/zinc/85/33/77/650853377.db2.gz PXQOIILCDFCTKR-BETUJISGSA-N 1 2 298.346 0.103 20 30 CCEDLO Cc1[nH+]cc(C=Nn2c(=S)[nH][nH]c2=S)n1C ZINC000853283251 644096186 /nfs/dbraw/zinc/09/61/86/644096186.db2.gz IHQDVBZEMYXCQJ-UHFFFAOYSA-N 1 2 254.344 0.780 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NCC#N)C1 ZINC001019493959 650978000 /nfs/dbraw/zinc/97/80/00/650978000.db2.gz TYRUEPWUVBZTPA-MNOVXSKESA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NCC#N)C1 ZINC001019493959 650978002 /nfs/dbraw/zinc/97/80/02/650978002.db2.gz TYRUEPWUVBZTPA-MNOVXSKESA-N 1 2 261.329 0.302 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC000863561826 645106537 /nfs/dbraw/zinc/10/65/37/645106537.db2.gz FECOFGZMZKRPSL-ZDUSSCGKSA-N 1 2 284.319 0.878 20 30 CCEDLO N#CCc1ccnc(NC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000871718853 646172256 /nfs/dbraw/zinc/17/22/56/646172256.db2.gz NIMUXYGQWONNCE-UHFFFAOYSA-N 1 2 289.339 0.289 20 30 CCEDLO OCCNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872378793 646253200 /nfs/dbraw/zinc/25/32/00/646253200.db2.gz PNPFKHKBMYETSS-UHFFFAOYSA-N 1 2 293.367 0.313 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)CCO1 ZINC000878777003 646977492 /nfs/dbraw/zinc/97/74/92/646977492.db2.gz UWPBZQDGRHVSOQ-MGPQQGTHSA-N 1 2 294.399 0.152 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879042267 647018154 /nfs/dbraw/zinc/01/81/54/647018154.db2.gz XVJYGOUMOWPCSX-ZDUSSCGKSA-N 1 2 276.315 0.989 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1F ZINC000879609791 647082338 /nfs/dbraw/zinc/08/23/38/647082338.db2.gz HWLDWVPHZGFVPP-NEPJUHHUSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1F ZINC000879609791 647082342 /nfs/dbraw/zinc/08/23/42/647082342.db2.gz HWLDWVPHZGFVPP-NEPJUHHUSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880487931 647212055 /nfs/dbraw/zinc/21/20/55/647212055.db2.gz SHDYFYJUQVNWDL-CYBMUJFWSA-N 1 2 257.293 0.729 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880487931 647212060 /nfs/dbraw/zinc/21/20/60/647212060.db2.gz SHDYFYJUQVNWDL-CYBMUJFWSA-N 1 2 257.293 0.729 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(C#N)cc2)nn1 ZINC000881408310 647311500 /nfs/dbraw/zinc/31/15/00/647311500.db2.gz VURIHDKRJNTPOH-MRXNPFEDSA-N 1 2 295.346 0.996 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)c(F)c2F)N1 ZINC000884447873 647739989 /nfs/dbraw/zinc/73/99/89/647739989.db2.gz LYJBAXBRQLWEDT-ZCFIWIBFSA-N 1 2 254.240 0.942 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000887672492 648138050 /nfs/dbraw/zinc/13/80/50/648138050.db2.gz BPSAFSVQKKJQAL-ZDUSSCGKSA-N 1 2 262.313 0.804 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cn1 ZINC000889221295 648195969 /nfs/dbraw/zinc/19/59/69/648195969.db2.gz ZFOWTVZFKAJPIS-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817898 648910303 /nfs/dbraw/zinc/91/03/03/648910303.db2.gz AHFQZAZXYYDMRO-SWLSCSKDSA-N 1 2 295.383 0.363 20 30 CCEDLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817898 648910307 /nfs/dbraw/zinc/91/03/07/648910307.db2.gz AHFQZAZXYYDMRO-SWLSCSKDSA-N 1 2 295.383 0.363 20 30 CCEDLO N#C[C@H]1CCCN(CC(O)C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932151726 649053788 /nfs/dbraw/zinc/05/37/88/649053788.db2.gz FLXNYNIKUHSRAS-ZIAGYGMSSA-N 1 2 276.384 0.818 20 30 CCEDLO N#C[C@H]1CCCN(CC(O)C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932151726 649053792 /nfs/dbraw/zinc/05/37/92/649053792.db2.gz FLXNYNIKUHSRAS-ZIAGYGMSSA-N 1 2 276.384 0.818 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CN(C(C)=O)C2)C1 ZINC000949966163 649455589 /nfs/dbraw/zinc/45/55/89/649455589.db2.gz JQMFVLAIVONJFJ-UHFFFAOYSA-N 1 2 279.384 0.574 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCO1 ZINC001017371146 649805136 /nfs/dbraw/zinc/80/51/36/649805136.db2.gz LGWIMUPSJWKSTN-MJBXVCDLSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCO1 ZINC001017371146 649805139 /nfs/dbraw/zinc/80/51/39/649805139.db2.gz LGWIMUPSJWKSTN-MJBXVCDLSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC=CCC1 ZINC001266255132 790334903 /nfs/dbraw/zinc/33/49/03/790334903.db2.gz HREBQXJHBQXTDE-ZDUSSCGKSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC=CCC1 ZINC001266255132 790334914 /nfs/dbraw/zinc/33/49/14/790334914.db2.gz HREBQXJHBQXTDE-ZDUSSCGKSA-N 1 2 277.368 0.140 20 30 CCEDLO C[N@H+](CCNC(=O)CC1=CCCCC1)CC(=O)NCC#N ZINC001266262163 790346968 /nfs/dbraw/zinc/34/69/68/790346968.db2.gz IRMOWIURCVHBPR-UHFFFAOYSA-N 1 2 292.383 0.565 20 30 CCEDLO C[N@@H+](CCNC(=O)CC1=CCCCC1)CC(=O)NCC#N ZINC001266262163 790346979 /nfs/dbraw/zinc/34/69/79/790346979.db2.gz IRMOWIURCVHBPR-UHFFFAOYSA-N 1 2 292.383 0.565 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001266261923 790348488 /nfs/dbraw/zinc/34/84/88/790348488.db2.gz DRLASVGFFNSGAW-UHFFFAOYSA-N 1 2 278.356 0.536 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001266261923 790348499 /nfs/dbraw/zinc/34/84/99/790348499.db2.gz DRLASVGFFNSGAW-UHFFFAOYSA-N 1 2 278.356 0.536 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001266287686 790414932 /nfs/dbraw/zinc/41/49/32/790414932.db2.gz BPCARUCIQFCQDT-ILXRZTDVSA-N 1 2 290.411 0.680 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccncc1C#N ZINC001104226622 790454120 /nfs/dbraw/zinc/45/41/20/790454120.db2.gz WYCHQASRLOSPAN-NSHDSACASA-N 1 2 298.350 0.505 20 30 CCEDLO Cc1nnc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125391339 790876871 /nfs/dbraw/zinc/87/68/71/790876871.db2.gz ZQGIQCIMNNBFRW-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795924 805667159 /nfs/dbraw/zinc/66/71/59/805667159.db2.gz VSCGLPIEQZGLQS-KBPBESRZSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795924 805667163 /nfs/dbraw/zinc/66/71/63/805667163.db2.gz VSCGLPIEQZGLQS-KBPBESRZSA-N 1 2 293.411 0.847 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCOCC ZINC001231103512 805729257 /nfs/dbraw/zinc/72/92/57/805729257.db2.gz PROLKCRJTCVFPI-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCOCC ZINC001231103512 805729261 /nfs/dbraw/zinc/72/92/61/805729261.db2.gz PROLKCRJTCVFPI-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231226335 805755890 /nfs/dbraw/zinc/75/58/90/805755890.db2.gz OHWSBMAAKHAYRK-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231226335 805755892 /nfs/dbraw/zinc/75/58/92/805755892.db2.gz OHWSBMAAKHAYRK-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC001277570342 805857410 /nfs/dbraw/zinc/85/74/10/805857410.db2.gz FBOPCMXHBQZQLG-UHFFFAOYSA-N 1 2 292.383 0.308 20 30 CCEDLO CC(C)C#CC(=O)N(C)C1C[NH+](CCc2ccnn2C)C1 ZINC001277593544 805876424 /nfs/dbraw/zinc/87/64/24/805876424.db2.gz ISESYJHICCIHDE-UHFFFAOYSA-N 1 2 288.395 0.765 20 30 CCEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](CNCC#N)C1CC1 ZINC001277655124 805932314 /nfs/dbraw/zinc/93/23/14/805932314.db2.gz JZDVFIKEZQVSMA-ZDUSSCGKSA-N 1 2 275.356 0.692 20 30 CCEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](CNCC#N)C1CC1 ZINC001277655124 805932322 /nfs/dbraw/zinc/93/23/22/805932322.db2.gz JZDVFIKEZQVSMA-ZDUSSCGKSA-N 1 2 275.356 0.692 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CNC(=O)CC(C)(C)C)C1 ZINC001277699577 805969026 /nfs/dbraw/zinc/96/90/26/805969026.db2.gz JTPHALAVPCZWLT-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001232888882 805991412 /nfs/dbraw/zinc/99/14/12/805991412.db2.gz SYRRWGCCYJDVSX-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001232888882 805991422 /nfs/dbraw/zinc/99/14/22/805991422.db2.gz SYRRWGCCYJDVSX-FZMZJTMJSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001233386719 806053191 /nfs/dbraw/zinc/05/31/91/806053191.db2.gz GEUTVFQPUYVPJD-ZDUSSCGKSA-N 1 2 287.319 0.307 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001233387139 806053506 /nfs/dbraw/zinc/05/35/06/806053506.db2.gz WKBYOUXHLBJYDG-GFCCVEGCSA-N 1 2 273.292 0.900 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C)c3)[C@H]2C1 ZINC001083228994 791353556 /nfs/dbraw/zinc/35/35/56/791353556.db2.gz DKIWAXFFQLYINE-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C)c3)[C@H]2C1 ZINC001083228994 791353565 /nfs/dbraw/zinc/35/35/65/791353565.db2.gz DKIWAXFFQLYINE-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001266934386 791370136 /nfs/dbraw/zinc/37/01/36/791370136.db2.gz VUJGHZWSNWFFAV-JTQLQIEISA-N 1 2 264.329 0.776 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001266935134 791372717 /nfs/dbraw/zinc/37/27/17/791372717.db2.gz HJHDORRAUXJSSV-JTQLQIEISA-N 1 2 250.302 0.323 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3cccnc3)[C@H]2C1 ZINC001083250913 791629685 /nfs/dbraw/zinc/62/96/85/791629685.db2.gz QQWOGSDZCOTIDB-CWRNSKLLSA-N 1 2 299.374 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3cccnc3)[C@H]2C1 ZINC001083250913 791629689 /nfs/dbraw/zinc/62/96/89/791629689.db2.gz QQWOGSDZCOTIDB-CWRNSKLLSA-N 1 2 299.374 0.730 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001267211233 791680207 /nfs/dbraw/zinc/68/02/07/791680207.db2.gz PQPPVESRCUMXNZ-GFCCVEGCSA-N 1 2 281.400 0.773 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001267211233 791680213 /nfs/dbraw/zinc/68/02/13/791680213.db2.gz PQPPVESRCUMXNZ-GFCCVEGCSA-N 1 2 281.400 0.773 20 30 CCEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCCC1 ZINC001267233509 791716381 /nfs/dbraw/zinc/71/63/81/791716381.db2.gz POOCKWLHBGPZEO-UHFFFAOYSA-N 1 2 267.373 0.656 20 30 CCEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(N)=O)CCCC1 ZINC001267233509 791716388 /nfs/dbraw/zinc/71/63/88/791716388.db2.gz POOCKWLHBGPZEO-UHFFFAOYSA-N 1 2 267.373 0.656 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233663023 806103259 /nfs/dbraw/zinc/10/32/59/806103259.db2.gz IXPBQIRHOIIOOC-QWHCGFSZSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233663023 806103266 /nfs/dbraw/zinc/10/32/66/806103266.db2.gz IXPBQIRHOIIOOC-QWHCGFSZSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233663022 806104135 /nfs/dbraw/zinc/10/41/35/806104135.db2.gz IXPBQIRHOIIOOC-OLZOCXBDSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233663022 806104140 /nfs/dbraw/zinc/10/41/40/806104140.db2.gz IXPBQIRHOIIOOC-OLZOCXBDSA-N 1 2 293.411 0.867 20 30 CCEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001233731538 806111402 /nfs/dbraw/zinc/11/14/02/806111402.db2.gz NNIMGXGMDZGBRY-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001233731538 806111406 /nfs/dbraw/zinc/11/14/06/806111406.db2.gz NNIMGXGMDZGBRY-GJZGRUSLSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925574 806148963 /nfs/dbraw/zinc/14/89/63/806148963.db2.gz JZZBLYHFVTVBNP-ZIAGYGMSSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925574 806148968 /nfs/dbraw/zinc/14/89/68/806148968.db2.gz JZZBLYHFVTVBNP-ZIAGYGMSSA-N 1 2 293.411 0.705 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205945 806204626 /nfs/dbraw/zinc/20/46/26/806204626.db2.gz MPPWYUVSKVUDNN-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001234205945 806204629 /nfs/dbraw/zinc/20/46/29/806204629.db2.gz MPPWYUVSKVUDNN-STQMWFEESA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235158507 806380490 /nfs/dbraw/zinc/38/04/90/806380490.db2.gz KRNJVXXJPIUJDN-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235158507 806380500 /nfs/dbraw/zinc/38/05/00/806380500.db2.gz KRNJVXXJPIUJDN-ZDUSSCGKSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001235229859 806392142 /nfs/dbraw/zinc/39/21/42/806392142.db2.gz PYHYDKYDWDRRKX-GFCCVEGCSA-N 1 2 296.371 0.989 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001235229859 806392151 /nfs/dbraw/zinc/39/21/51/806392151.db2.gz PYHYDKYDWDRRKX-GFCCVEGCSA-N 1 2 296.371 0.989 20 30 CCEDLO N#CCCN1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277938563 806410347 /nfs/dbraw/zinc/41/03/47/806410347.db2.gz APRIELQOWFOJNJ-KBPBESRZSA-N 1 2 275.356 0.182 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCO ZINC001235454543 806426115 /nfs/dbraw/zinc/42/61/15/806426115.db2.gz QQHKTAZIUUIMSH-GFCCVEGCSA-N 1 2 266.345 0.299 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCO ZINC001235454543 806426121 /nfs/dbraw/zinc/42/61/21/806426121.db2.gz QQHKTAZIUUIMSH-GFCCVEGCSA-N 1 2 266.345 0.299 20 30 CCEDLO C=C(C)C[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278085178 806653376 /nfs/dbraw/zinc/65/33/76/806653376.db2.gz LGZKYFYVMFTZLL-JGVFFNPUSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001278085178 806653384 /nfs/dbraw/zinc/65/33/84/806653384.db2.gz LGZKYFYVMFTZLL-JGVFFNPUSA-N 1 2 272.242 0.530 20 30 CCEDLO N#CCNC1CC2(C1)CC(NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001121020391 798984164 /nfs/dbraw/zinc/98/41/64/798984164.db2.gz QDDFJYCRJFMZIE-UHFFFAOYSA-N 1 2 287.367 0.883 20 30 CCEDLO CN(CC[NH+]1CCOCC1)c1nnc(CCCC#N)n1C ZINC001121401432 799041754 /nfs/dbraw/zinc/04/17/54/799041754.db2.gz YLWWSDFVQLWBBT-UHFFFAOYSA-N 1 2 292.387 0.430 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121405907 799042622 /nfs/dbraw/zinc/04/26/22/799042622.db2.gz QPVJHSCJEHDYSZ-RISCZKNCSA-N 1 2 294.355 0.001 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCOCC1 ZINC001121609867 799059650 /nfs/dbraw/zinc/05/96/50/799059650.db2.gz OZBSWKWNNWSDKX-NWDGAFQWSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCOCC1 ZINC001121609867 799059656 /nfs/dbraw/zinc/05/96/56/799059656.db2.gz OZBSWKWNNWSDKX-NWDGAFQWSA-N 1 2 293.371 0.038 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3(O)CC3)n2CC)CC1 ZINC001121770740 799069984 /nfs/dbraw/zinc/06/99/84/799069984.db2.gz XHBFVMQQCGZBOG-UHFFFAOYSA-N 1 2 275.356 0.035 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795166 799476453 /nfs/dbraw/zinc/47/64/53/799476453.db2.gz PXDRNKOCEDWDEU-NEPJUHHUSA-N 1 2 254.378 0.448 20 30 CCEDLO C=CCN(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795166 799476451 /nfs/dbraw/zinc/47/64/51/799476451.db2.gz PXDRNKOCEDWDEU-NEPJUHHUSA-N 1 2 254.378 0.448 20 30 CCEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@H](C(N)=O)C3)c2c1 ZINC001140115408 799881946 /nfs/dbraw/zinc/88/19/46/799881946.db2.gz ZQOZUKZNMXLMKA-AWEZNQCLSA-N 1 2 284.319 0.726 20 30 CCEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@H](C(N)=O)C3)c2c1 ZINC001140115408 799881951 /nfs/dbraw/zinc/88/19/51/799881951.db2.gz ZQOZUKZNMXLMKA-AWEZNQCLSA-N 1 2 284.319 0.726 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001140627377 799926382 /nfs/dbraw/zinc/92/63/82/799926382.db2.gz UMBHZJICXOWGMT-VXGBXAGGSA-N 1 2 263.341 0.889 20 30 CCEDLO O=C(C#CC1CC1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001151970209 800475087 /nfs/dbraw/zinc/47/50/87/800475087.db2.gz OUMRVJNKQIHTKZ-CYBMUJFWSA-N 1 2 276.336 0.296 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001152489867 800529542 /nfs/dbraw/zinc/52/95/42/800529542.db2.gz GPNCSHWZQVUUAF-AWEZNQCLSA-N 1 2 269.304 0.724 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001152489867 800529543 /nfs/dbraw/zinc/52/95/43/800529543.db2.gz GPNCSHWZQVUUAF-AWEZNQCLSA-N 1 2 269.304 0.724 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001153135667 800600664 /nfs/dbraw/zinc/60/06/64/800600664.db2.gz XMCJYCNMTANIFL-SNVBAGLBSA-N 1 2 268.317 0.175 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001153135629 800600884 /nfs/dbraw/zinc/60/08/84/800600884.db2.gz WHPVECQCLOLIBT-LLVKDONJSA-N 1 2 296.371 0.819 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001153135631 800600895 /nfs/dbraw/zinc/60/08/95/800600895.db2.gz WHUCFITUWOAXII-JTQLQIEISA-N 1 2 298.343 0.013 20 30 CCEDLO C[N@@H+]1CCc2nc(C(=O)N3CCNC[C@H]3C#N)sc2C1 ZINC001154217366 800741965 /nfs/dbraw/zinc/74/19/65/800741965.db2.gz XICLWXNYRYHCOJ-SECBINFHSA-N 1 2 291.380 0.069 20 30 CCEDLO C[N@H+]1CCc2nc(C(=O)N3CCNC[C@H]3C#N)sc2C1 ZINC001154217366 800741967 /nfs/dbraw/zinc/74/19/67/800741967.db2.gz XICLWXNYRYHCOJ-SECBINFHSA-N 1 2 291.380 0.069 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)c1cccc2[nH+]ccn21 ZINC001154526595 800795343 /nfs/dbraw/zinc/79/53/43/800795343.db2.gz WIQPRKLWCGDVGT-QMMMGPOBSA-N 1 2 279.321 0.536 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c(=O)c3ncccc23)CC1 ZINC001154619432 800814626 /nfs/dbraw/zinc/81/46/26/800814626.db2.gz XKUWZWBLHXCHIG-UHFFFAOYSA-N 1 2 299.334 0.674 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nnsc1Cl ZINC001155835820 801061678 /nfs/dbraw/zinc/06/16/78/801061678.db2.gz FWGMFEOGBQKUME-ZETCQYMHSA-N 1 2 287.776 0.947 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](O)C[C@@H]3CO)c12 ZINC001159251315 801780692 /nfs/dbraw/zinc/78/06/92/801780692.db2.gz SRJWHMMDUMHFES-NXEZZACHSA-N 1 2 258.281 0.366 20 30 CCEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001259936386 808811026 /nfs/dbraw/zinc/81/10/26/808811026.db2.gz URWKNXFXMMEFJY-UHFFFAOYSA-N 1 2 285.369 0.840 20 30 CCEDLO CCC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001264367434 809644317 /nfs/dbraw/zinc/64/43/17/809644317.db2.gz YGEGSLWOCJFOBN-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO CCC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001264367434 809644321 /nfs/dbraw/zinc/64/43/21/809644321.db2.gz YGEGSLWOCJFOBN-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO CCOC(=O)c1cc(C)cc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641358 802774248 /nfs/dbraw/zinc/77/42/48/802774248.db2.gz KKFOQJTVKMBALZ-LLVKDONJSA-N 1 2 274.324 0.869 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001271270436 814360607 /nfs/dbraw/zinc/36/06/07/814360607.db2.gz WOXDFHOEWCSUAP-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001207629682 803427408 /nfs/dbraw/zinc/42/74/08/803427408.db2.gz RXJUFDASCORYCB-PSASIEDQSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001207629682 803427409 /nfs/dbraw/zinc/42/74/09/803427409.db2.gz RXJUFDASCORYCB-PSASIEDQSA-N 1 2 287.791 0.687 20 30 CCEDLO C=CCN(CC[NH+]1CCN(C(C)=O)CC1)C(=O)OCC ZINC001209018567 803564811 /nfs/dbraw/zinc/56/48/11/803564811.db2.gz FQLIXWJONORQRV-UHFFFAOYSA-N 1 2 283.372 0.795 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213260448 803687580 /nfs/dbraw/zinc/68/75/80/803687580.db2.gz IPKAHWKTEYDWFE-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213260448 803687583 /nfs/dbraw/zinc/68/75/83/803687583.db2.gz IPKAHWKTEYDWFE-QJPTWQEYSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213494312 803696353 /nfs/dbraw/zinc/69/63/53/803696353.db2.gz XBWKYWGIZMXCIV-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213494312 803696356 /nfs/dbraw/zinc/69/63/56/803696356.db2.gz XBWKYWGIZMXCIV-IJLUTSLNSA-N 1 2 297.399 0.278 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC=C)[C@H]2C1 ZINC001219063719 804189418 /nfs/dbraw/zinc/18/94/18/804189418.db2.gz CGLZWBOTQKLOSB-HZSPNIEDSA-N 1 2 278.352 0.122 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC=C)[C@H]2C1 ZINC001219063719 804189422 /nfs/dbraw/zinc/18/94/22/804189422.db2.gz CGLZWBOTQKLOSB-HZSPNIEDSA-N 1 2 278.352 0.122 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001276801654 804189746 /nfs/dbraw/zinc/18/97/46/804189746.db2.gz RVWWCYFLNSHDSK-STQMWFEESA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001276801654 804189749 /nfs/dbraw/zinc/18/97/49/804189749.db2.gz RVWWCYFLNSHDSK-STQMWFEESA-N 1 2 252.358 0.871 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001219334596 804274740 /nfs/dbraw/zinc/27/47/40/804274740.db2.gz AXHIVGOBHNSNOE-BNOWGMLFSA-N 1 2 290.367 0.665 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001219334596 804274749 /nfs/dbraw/zinc/27/47/49/804274749.db2.gz AXHIVGOBHNSNOE-BNOWGMLFSA-N 1 2 290.367 0.665 20 30 CCEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219365855 804287763 /nfs/dbraw/zinc/28/77/63/804287763.db2.gz JOXIBBGLOGZTFI-WQHBLYJGSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](O)C1 ZINC001219365855 804287773 /nfs/dbraw/zinc/28/77/73/804287773.db2.gz JOXIBBGLOGZTFI-WQHBLYJGSA-N 1 2 292.339 0.112 20 30 CCEDLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219378974 804290040 /nfs/dbraw/zinc/29/00/40/804290040.db2.gz KHVXNVXYXLJBFH-BIMULSAOSA-N 1 2 292.339 0.058 20 30 CCEDLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C1 ZINC001219378974 804290049 /nfs/dbraw/zinc/29/00/49/804290049.db2.gz KHVXNVXYXLJBFH-BIMULSAOSA-N 1 2 292.339 0.058 20 30 CCEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001075921379 815010143 /nfs/dbraw/zinc/01/01/43/815010143.db2.gz UHLVJBVERSJDPF-LBPRGKRZSA-N 1 2 294.355 0.097 20 30 CCEDLO C=C(Cl)CN1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543195 804343574 /nfs/dbraw/zinc/34/35/74/804343574.db2.gz DFKYZRYEZDLUOP-MNOVXSKESA-N 1 2 298.774 0.256 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@@H](O)C1 ZINC001219702283 804409883 /nfs/dbraw/zinc/40/98/83/804409883.db2.gz INMGJAPCDGCBQY-MNOVXSKESA-N 1 2 270.760 0.560 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@@H](O)C1 ZINC001219702283 804409889 /nfs/dbraw/zinc/40/98/89/804409889.db2.gz INMGJAPCDGCBQY-MNOVXSKESA-N 1 2 270.760 0.560 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)OCC)[C@@H](O)C1 ZINC001220175564 804527794 /nfs/dbraw/zinc/52/77/94/804527794.db2.gz AUHUUSKYKCQEOI-HZSPNIEDSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)OCC)[C@@H](O)C1 ZINC001220175564 804527796 /nfs/dbraw/zinc/52/77/96/804527796.db2.gz AUHUUSKYKCQEOI-HZSPNIEDSA-N 1 2 282.384 0.376 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220205582 804537120 /nfs/dbraw/zinc/53/71/20/804537120.db2.gz FSWBTDLFFNIQJM-ZNMIVQPWSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220205582 804537126 /nfs/dbraw/zinc/53/71/26/804537126.db2.gz FSWBTDLFFNIQJM-ZNMIVQPWSA-N 1 2 294.395 0.400 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220242033 804546747 /nfs/dbraw/zinc/54/67/47/804546747.db2.gz GZPLCPRTGZOLOI-KGLIPLIRSA-N 1 2 280.368 0.154 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220242033 804546749 /nfs/dbraw/zinc/54/67/49/804546749.db2.gz GZPLCPRTGZOLOI-KGLIPLIRSA-N 1 2 280.368 0.154 20 30 CCEDLO CCc1cnc(C[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)o1 ZINC001272129993 815023465 /nfs/dbraw/zinc/02/34/65/815023465.db2.gz XMBYPKZSAFFQRZ-NSHDSACASA-N 1 2 294.355 0.307 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)[C@@H](O)C1 ZINC001220893649 804694597 /nfs/dbraw/zinc/69/45/97/804694597.db2.gz NAXCVFGLJMBFNH-YUELXQCFSA-N 1 2 288.347 0.248 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)[C@@H](O)C1 ZINC001220893649 804694604 /nfs/dbraw/zinc/69/46/04/804694604.db2.gz NAXCVFGLJMBFNH-YUELXQCFSA-N 1 2 288.347 0.248 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001276842215 804935313 /nfs/dbraw/zinc/93/53/13/804935313.db2.gz LKUKCAODZDIKFA-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001276842215 804935318 /nfs/dbraw/zinc/93/53/18/804935318.db2.gz LKUKCAODZDIKFA-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)O/C(=N\O)c1ccccn1 ZINC001223978177 804999623 /nfs/dbraw/zinc/99/96/23/804999623.db2.gz QPNGIPRAOLTXOD-YLCNQMKUSA-N 1 2 265.313 0.955 20 30 CCEDLO C#CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001276979928 805050582 /nfs/dbraw/zinc/05/05/82/805050582.db2.gz OJWWVVSYUDNMCU-GXTWGEPZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001276979928 805050593 /nfs/dbraw/zinc/05/05/93/805050593.db2.gz OJWWVVSYUDNMCU-GXTWGEPZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001276981035 805056126 /nfs/dbraw/zinc/05/61/26/805056126.db2.gz YYSHXILVHVHZHV-GFCCVEGCSA-N 1 2 282.347 0.929 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001276981035 805056136 /nfs/dbraw/zinc/05/61/36/805056136.db2.gz YYSHXILVHVHZHV-GFCCVEGCSA-N 1 2 282.347 0.929 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226732880 805275350 /nfs/dbraw/zinc/27/53/50/805275350.db2.gz AXNSITHCRMZDIT-HBKXCPMBSA-N 1 2 278.268 0.376 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226732880 805275353 /nfs/dbraw/zinc/27/53/53/805275353.db2.gz AXNSITHCRMZDIT-HBKXCPMBSA-N 1 2 278.268 0.376 20 30 CCEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227070082 805319271 /nfs/dbraw/zinc/31/92/71/805319271.db2.gz MQJITMPKIZSOFQ-MRVPVSSYSA-O 1 2 277.308 0.426 20 30 CCEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227289965 805340589 /nfs/dbraw/zinc/34/05/89/805340589.db2.gz NFODKDJRHGVAOC-UHFFFAOYSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCOCCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227322924 805342037 /nfs/dbraw/zinc/34/20/37/805342037.db2.gz HXTJAYQXXLGHHH-UHFFFAOYSA-N 1 2 291.351 0.795 20 30 CCEDLO CC(=O)Nc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228445437 805446871 /nfs/dbraw/zinc/44/68/71/805446871.db2.gz MVERXKKEAGVGOY-NJFCNUMCSA-N 1 2 290.323 0.426 20 30 CCEDLO CC(=O)Nc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228445437 805446880 /nfs/dbraw/zinc/44/68/80/805446880.db2.gz MVERXKKEAGVGOY-NJFCNUMCSA-N 1 2 290.323 0.426 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1c[nH+]cn1C ZINC000989735416 815091811 /nfs/dbraw/zinc/09/18/11/815091811.db2.gz AFNQXYPVVRARJN-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001278500562 807506888 /nfs/dbraw/zinc/50/68/88/807506888.db2.gz MSVTUHXEHGZPIA-STQMWFEESA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001278500562 807506893 /nfs/dbraw/zinc/50/68/93/807506893.db2.gz MSVTUHXEHGZPIA-STQMWFEESA-N 1 2 294.399 0.785 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212120089 815127725 /nfs/dbraw/zinc/12/77/25/815127725.db2.gz BZCJMOMCXVGJSF-GHMZBOCLSA-N 1 2 254.305 0.698 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212120089 815127728 /nfs/dbraw/zinc/12/77/28/815127728.db2.gz BZCJMOMCXVGJSF-GHMZBOCLSA-N 1 2 254.305 0.698 20 30 CCEDLO Cc1coc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251012329 807642141 /nfs/dbraw/zinc/64/21/41/807642141.db2.gz SPPGCURGXMXMEV-LLVKDONJSA-N 1 2 265.313 0.565 20 30 CCEDLO N#CCN(Cc1ccccc1)C[C@H](O)C[NH+]1CCOCC1 ZINC001251018696 807643658 /nfs/dbraw/zinc/64/36/58/807643658.db2.gz KYLGEFRWNPXKKG-MRXNPFEDSA-N 1 2 289.379 0.705 20 30 CCEDLO COc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251026931 807646469 /nfs/dbraw/zinc/64/64/69/807646469.db2.gz LIANEASYCCBZRW-CYBMUJFWSA-N 1 2 291.351 0.672 20 30 CCEDLO N#Cc1ccc(O)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251026780 807646590 /nfs/dbraw/zinc/64/65/90/807646590.db2.gz WPHDODKKJFYVKM-GFCCVEGCSA-N 1 2 277.324 0.369 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001251894176 807738969 /nfs/dbraw/zinc/73/89/69/807738969.db2.gz PVUFDIFIFAIXRO-STQMWFEESA-N 1 2 269.341 0.319 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083479519 815148635 /nfs/dbraw/zinc/14/86/35/815148635.db2.gz QFPRTSXBALSAML-CVEARBPZSA-N 1 2 298.386 1.000 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083479519 815148640 /nfs/dbraw/zinc/14/86/40/815148640.db2.gz QFPRTSXBALSAML-CVEARBPZSA-N 1 2 298.386 1.000 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001252469043 807879240 /nfs/dbraw/zinc/87/92/40/807879240.db2.gz UPWNPCMPVDIWPV-LBPRGKRZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001252469043 807879248 /nfs/dbraw/zinc/87/92/48/807879248.db2.gz UPWNPCMPVDIWPV-LBPRGKRZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252596633 807917446 /nfs/dbraw/zinc/91/74/46/807917446.db2.gz QZCVYEVIQXDGKZ-WCQYABFASA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252596633 807917448 /nfs/dbraw/zinc/91/74/48/807917448.db2.gz QZCVYEVIQXDGKZ-WCQYABFASA-N 1 2 280.372 0.688 20 30 CCEDLO COC[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252820454 807969696 /nfs/dbraw/zinc/96/96/96/807969696.db2.gz QDKHPNNSOHQRMM-LBPRGKRZSA-N 1 2 262.309 0.629 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253578047 808085870 /nfs/dbraw/zinc/08/58/70/808085870.db2.gz UQCHSJUSODNAOV-GHMZBOCLSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253578047 808085878 /nfs/dbraw/zinc/08/58/78/808085878.db2.gz UQCHSJUSODNAOV-GHMZBOCLSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253577410 808086549 /nfs/dbraw/zinc/08/65/49/808086549.db2.gz UWSKRJXRHUDZPN-CMPLNLGQSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253577410 808086557 /nfs/dbraw/zinc/08/65/57/808086557.db2.gz UWSKRJXRHUDZPN-CMPLNLGQSA-N 1 2 266.345 0.391 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001088804525 815174444 /nfs/dbraw/zinc/17/44/44/815174444.db2.gz ZLDNDPBBSDDNSW-WOPDTQHZSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001088804525 815174450 /nfs/dbraw/zinc/17/44/50/815174450.db2.gz ZLDNDPBBSDDNSW-WOPDTQHZSA-N 1 2 299.802 0.796 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1CCN(C(C)=O)CC1 ZINC001254415888 808237852 /nfs/dbraw/zinc/23/78/52/808237852.db2.gz HOLJXGMTTUOCCM-JTQLQIEISA-N 1 2 260.359 0.058 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001126893242 815197143 /nfs/dbraw/zinc/19/71/43/815197143.db2.gz HVXZWNRNTVLOTG-UHFFFAOYSA-N 1 2 266.370 0.793 20 30 CCEDLO CCOC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255358666 808349904 /nfs/dbraw/zinc/34/99/04/808349904.db2.gz WISCBXLKQFWBQV-AGIUHOORSA-N 1 2 265.357 0.906 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(Cl)cn2)C1 ZINC001278922299 808485662 /nfs/dbraw/zinc/48/56/62/808485662.db2.gz ABTCBHREJFPUMG-UHFFFAOYSA-N 1 2 293.754 0.535 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007464 815222881 /nfs/dbraw/zinc/22/28/81/815222881.db2.gz AMKCEGQXXBZHJL-YNEHKIRRSA-N 1 2 298.408 0.140 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007464 815222883 /nfs/dbraw/zinc/22/28/83/815222883.db2.gz AMKCEGQXXBZHJL-YNEHKIRRSA-N 1 2 298.408 0.140 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126916398 815230760 /nfs/dbraw/zinc/23/07/60/815230760.db2.gz UKSFLTFIOZDJSF-UHFFFAOYSA-N 1 2 278.356 0.887 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001261348281 808958061 /nfs/dbraw/zinc/95/80/61/808958061.db2.gz CLOCGTNPRPLQQN-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001262031323 809165762 /nfs/dbraw/zinc/16/57/62/809165762.db2.gz NURDNEBTHKYNHR-NSHDSACASA-N 1 2 269.320 0.074 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001262031323 809165766 /nfs/dbraw/zinc/16/57/66/809165766.db2.gz NURDNEBTHKYNHR-NSHDSACASA-N 1 2 269.320 0.074 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294432 815273764 /nfs/dbraw/zinc/27/37/64/815273764.db2.gz LJAZOQDJGMGAJA-CMPLNLGQSA-N 1 2 259.313 0.008 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001263816723 809576149 /nfs/dbraw/zinc/57/61/49/809576149.db2.gz HIRDUYDDEAZENK-UKRRQHHQSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001263816723 809576153 /nfs/dbraw/zinc/57/61/53/809576153.db2.gz HIRDUYDDEAZENK-UKRRQHHQSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001265211314 809725537 /nfs/dbraw/zinc/72/55/37/809725537.db2.gz ULQLINRTDUUJLM-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001265211314 809725543 /nfs/dbraw/zinc/72/55/43/809725543.db2.gz ULQLINRTDUUJLM-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001265259844 809735160 /nfs/dbraw/zinc/73/51/60/809735160.db2.gz NSNBIQKHSUCOFT-HNNXBMFYSA-N 1 2 290.411 0.990 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC001265268657 809737901 /nfs/dbraw/zinc/73/79/01/809737901.db2.gz UONMEUIFNFFLBA-AWEZNQCLSA-N 1 2 287.363 0.793 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC001265268657 809737905 /nfs/dbraw/zinc/73/79/05/809737905.db2.gz UONMEUIFNFFLBA-AWEZNQCLSA-N 1 2 287.363 0.793 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001265299256 809750272 /nfs/dbraw/zinc/75/02/72/809750272.db2.gz LRZKTNXXFSMBLL-BLXFFLACSA-N 1 2 289.379 0.449 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001265299256 809750275 /nfs/dbraw/zinc/75/02/75/809750275.db2.gz LRZKTNXXFSMBLL-BLXFFLACSA-N 1 2 289.379 0.449 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001265792770 809855190 /nfs/dbraw/zinc/85/51/90/809855190.db2.gz UXHVSPLJIPMADO-GHMZBOCLSA-N 1 2 261.329 0.063 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076656004 815325927 /nfs/dbraw/zinc/32/59/27/815325927.db2.gz VSRRMPRRCKKNSL-VXGBXAGGSA-N 1 2 265.338 0.301 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076656004 815325933 /nfs/dbraw/zinc/32/59/33/815325933.db2.gz VSRRMPRRCKKNSL-VXGBXAGGSA-N 1 2 265.338 0.301 20 30 CCEDLO N#CCNC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265990905 809914745 /nfs/dbraw/zinc/91/47/45/809914745.db2.gz WNOPRSKCDRNUTQ-OLZOCXBDSA-N 1 2 287.367 0.407 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001280403040 810014990 /nfs/dbraw/zinc/01/49/90/810014990.db2.gz QRXAOBFPVQRXTI-OLZOCXBDSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001280403040 810014997 /nfs/dbraw/zinc/01/49/97/810014997.db2.gz QRXAOBFPVQRXTI-OLZOCXBDSA-N 1 2 293.371 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 ZINC001076745753 815359519 /nfs/dbraw/zinc/35/95/19/815359519.db2.gz AMKLCTPNQJSQHC-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 ZINC001076745753 815359526 /nfs/dbraw/zinc/35/95/26/815359526.db2.gz AMKLCTPNQJSQHC-VXGBXAGGSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038270880 811123066 /nfs/dbraw/zinc/12/30/66/811123066.db2.gz YTJKVBZOAZAVEM-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001038270880 811123069 /nfs/dbraw/zinc/12/30/69/811123069.db2.gz YTJKVBZOAZAVEM-NSHDSACASA-N 1 2 258.325 0.267 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267318123 811149405 /nfs/dbraw/zinc/14/94/05/811149405.db2.gz GIDFFIMOEILNHF-GFCCVEGCSA-N 1 2 277.372 0.940 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267318123 811149410 /nfs/dbraw/zinc/14/94/10/811149410.db2.gz GIDFFIMOEILNHF-GFCCVEGCSA-N 1 2 277.372 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001077012163 815432675 /nfs/dbraw/zinc/43/26/75/815432675.db2.gz LMGJYTDXPVRCKY-TZMCWYRMSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001077012163 815432681 /nfs/dbraw/zinc/43/26/81/815432681.db2.gz LMGJYTDXPVRCKY-TZMCWYRMSA-N 1 2 288.351 0.016 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038299172 811340503 /nfs/dbraw/zinc/34/05/03/811340503.db2.gz HIHLZOQENBESIV-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038299172 811340515 /nfs/dbraw/zinc/34/05/15/811340515.db2.gz HIHLZOQENBESIV-GFCCVEGCSA-N 1 2 286.379 0.736 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077182612 815456270 /nfs/dbraw/zinc/45/62/70/815456270.db2.gz XIGPDEJYNZAPLQ-ZDUSSCGKSA-N 1 2 290.367 0.554 20 30 CCEDLO CC1(C)CO[C@@H](C[NH+]2CC(NC(=O)CSCC#N)C2)C1 ZINC001267637447 811598511 /nfs/dbraw/zinc/59/85/11/811598511.db2.gz VQOZOWBJABKTDG-GFCCVEGCSA-N 1 2 297.424 0.859 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccnn2C)C1 ZINC001267648171 811614887 /nfs/dbraw/zinc/61/48/87/811614887.db2.gz SEDIOWWCWMJQSN-UHFFFAOYSA-N 1 2 260.341 0.176 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N(C)CC2CC2)C1 ZINC001267676594 811639510 /nfs/dbraw/zinc/63/95/10/811639510.db2.gz NCOUPEQBJFOUCT-UHFFFAOYSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC(C)(C)CC)C1 ZINC001267683278 811647785 /nfs/dbraw/zinc/64/77/85/811647785.db2.gz KGVQAXCEMBVWRL-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001267687920 811652626 /nfs/dbraw/zinc/65/26/26/811652626.db2.gz RVZRSCUQGORXNL-UHFFFAOYSA-N 1 2 253.346 0.122 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001267700479 811665283 /nfs/dbraw/zinc/66/52/83/811665283.db2.gz PKCOZEYYJLGYRT-RDBSUJKOSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001267700479 811665289 /nfs/dbraw/zinc/66/52/89/811665289.db2.gz PKCOZEYYJLGYRT-RDBSUJKOSA-N 1 2 289.379 0.376 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267711162 811673288 /nfs/dbraw/zinc/67/32/88/811673288.db2.gz MMASAVUDZADXJL-IKOXMDCHSA-N 1 2 291.395 0.618 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267711162 811673289 /nfs/dbraw/zinc/67/32/89/811673289.db2.gz MMASAVUDZADXJL-IKOXMDCHSA-N 1 2 291.395 0.618 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267719593 811683666 /nfs/dbraw/zinc/68/36/66/811683666.db2.gz GSMBBUNEYWCFPF-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267719593 811683669 /nfs/dbraw/zinc/68/36/69/811683669.db2.gz GSMBBUNEYWCFPF-OLZOCXBDSA-N 1 2 297.399 0.294 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038356536 811709533 /nfs/dbraw/zinc/70/95/33/811709533.db2.gz CVPIHUCZRZXFAE-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001038356536 811709539 /nfs/dbraw/zinc/70/95/39/811709539.db2.gz CVPIHUCZRZXFAE-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825967 811734307 /nfs/dbraw/zinc/73/43/07/811734307.db2.gz OZKHLQWGAHENIC-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccncc3)C2)nn1 ZINC001105132835 811852256 /nfs/dbraw/zinc/85/22/56/811852256.db2.gz BHGRYJBSDPKWSL-UHFFFAOYSA-N 1 2 296.334 0.093 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001077350193 815484449 /nfs/dbraw/zinc/48/44/49/815484449.db2.gz UXJBBJZNQJJAAE-ZYHUDNBSSA-N 1 2 281.743 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001077350193 815484452 /nfs/dbraw/zinc/48/44/52/815484452.db2.gz UXJBBJZNQJJAAE-ZYHUDNBSSA-N 1 2 281.743 0.087 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](CC(=C)C)CCO1 ZINC001268019012 811962538 /nfs/dbraw/zinc/96/25/38/811962538.db2.gz OHKVKMALMFRHKJ-CYBMUJFWSA-N 1 2 268.357 0.582 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001268019012 811962541 /nfs/dbraw/zinc/96/25/41/811962541.db2.gz OHKVKMALMFRHKJ-CYBMUJFWSA-N 1 2 268.357 0.582 20 30 CCEDLO Cc1noc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125982277 811965618 /nfs/dbraw/zinc/96/56/18/811965618.db2.gz UWOIJXJMIOGRAN-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918587 812140240 /nfs/dbraw/zinc/14/02/40/812140240.db2.gz QITLXRPMDMKFQE-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918587 812140243 /nfs/dbraw/zinc/14/02/43/812140243.db2.gz QITLXRPMDMKFQE-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001268223961 812379159 /nfs/dbraw/zinc/37/91/59/812379159.db2.gz DZUVKAJMMVTSNS-KBPBESRZSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001268223961 812379163 /nfs/dbraw/zinc/37/91/63/812379163.db2.gz DZUVKAJMMVTSNS-KBPBESRZSA-N 1 2 293.411 0.609 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001038940395 812413684 /nfs/dbraw/zinc/41/36/84/812413684.db2.gz YTWVMQFEHGIFAW-LBPRGKRZSA-N 1 2 287.367 0.370 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001038940395 812413688 /nfs/dbraw/zinc/41/36/88/812413688.db2.gz YTWVMQFEHGIFAW-LBPRGKRZSA-N 1 2 287.367 0.370 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001268299063 812457671 /nfs/dbraw/zinc/45/76/71/812457671.db2.gz DPGSVXRADCRXSB-LLVKDONJSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001126344212 812531356 /nfs/dbraw/zinc/53/13/56/812531356.db2.gz PXZOKMXYFQTQHV-JTQLQIEISA-N 1 2 264.329 0.948 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC001038992096 812535695 /nfs/dbraw/zinc/53/56/95/812535695.db2.gz NZEDHELEVMVUQM-SWLSCSKDSA-N 1 2 286.331 0.650 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC001038992096 812535703 /nfs/dbraw/zinc/53/57/03/812535703.db2.gz NZEDHELEVMVUQM-SWLSCSKDSA-N 1 2 286.331 0.650 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738815 812598749 /nfs/dbraw/zinc/59/87/49/812598749.db2.gz TVMYUWMBUFRRJZ-ZIAGYGMSSA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738815 812598756 /nfs/dbraw/zinc/59/87/56/812598756.db2.gz TVMYUWMBUFRRJZ-ZIAGYGMSSA-N 1 2 295.383 0.022 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001126357354 812622646 /nfs/dbraw/zinc/62/26/46/812622646.db2.gz YDCXCBNWVJBHBT-JTQLQIEISA-N 1 2 264.329 0.948 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001268482800 812654035 /nfs/dbraw/zinc/65/40/35/812654035.db2.gz ZZEMBYVZUNEROF-UHFFFAOYSA-N 1 2 262.357 0.946 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccccn2)C1 ZINC001268495578 812704449 /nfs/dbraw/zinc/70/44/49/812704449.db2.gz VQHVVJWBIVIUQM-UHFFFAOYSA-N 1 2 288.351 0.045 20 30 CCEDLO C=CCCC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001268524546 812768135 /nfs/dbraw/zinc/76/81/35/812768135.db2.gz OKQLVBCOLVABLK-WAYWQWQTSA-N 1 2 263.345 0.543 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001083364166 812911572 /nfs/dbraw/zinc/91/15/72/812911572.db2.gz AGOMMJHCLKJVRX-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1 ZINC001083364166 812911576 /nfs/dbraw/zinc/91/15/76/812911576.db2.gz AGOMMJHCLKJVRX-NEPJUHHUSA-N 1 2 277.299 0.019 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@@H](O)C1 ZINC001083384737 812926284 /nfs/dbraw/zinc/92/62/84/812926284.db2.gz PSMNDWNKFDUSLW-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@@H](O)C1 ZINC001083384737 812926289 /nfs/dbraw/zinc/92/62/89/812926289.db2.gz PSMNDWNKFDUSLW-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641974 813104136 /nfs/dbraw/zinc/10/41/36/813104136.db2.gz NRKFSFALCCRFTR-STQMWFEESA-N 1 2 287.367 0.407 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776890 813487945 /nfs/dbraw/zinc/48/79/45/813487945.db2.gz WFDDXANNRFPJMM-JTQLQIEISA-N 1 2 298.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776890 813487951 /nfs/dbraw/zinc/48/79/51/813487951.db2.gz WFDDXANNRFPJMM-JTQLQIEISA-N 1 2 298.774 0.930 20 30 CCEDLO C#CCCCCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001269773066 813503446 /nfs/dbraw/zinc/50/34/46/813503446.db2.gz ONGYEQVFVHWXNF-UHFFFAOYSA-N 1 2 289.383 0.614 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001270556933 813810839 /nfs/dbraw/zinc/81/08/39/813810839.db2.gz IHIWCVVZNPOLCV-ZDUSSCGKSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001270556933 813810848 /nfs/dbraw/zinc/81/08/48/813810848.db2.gz IHIWCVVZNPOLCV-ZDUSSCGKSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001270638174 813862953 /nfs/dbraw/zinc/86/29/53/813862953.db2.gz JVHOSGZLPJOCMY-GDBMZVCRSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001270638174 813862962 /nfs/dbraw/zinc/86/29/62/813862962.db2.gz JVHOSGZLPJOCMY-GDBMZVCRSA-N 1 2 296.411 0.931 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001059250145 814008380 /nfs/dbraw/zinc/00/83/80/814008380.db2.gz FIAYRWWCSGQPJI-JOCQHMNTSA-N 1 2 296.334 0.909 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226710007 814097243 /nfs/dbraw/zinc/09/72/43/814097243.db2.gz HWYLJKNKIVJALM-FRQULTQSSA-N 1 2 251.261 0.607 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226710007 814097252 /nfs/dbraw/zinc/09/72/52/814097252.db2.gz HWYLJKNKIVJALM-FRQULTQSSA-N 1 2 251.261 0.607 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001271304045 814371913 /nfs/dbraw/zinc/37/19/13/814371913.db2.gz RWGTYLZRXPAJMH-UHFFFAOYSA-N 1 2 277.368 0.984 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCC(F)F)C1 ZINC001271319634 814378426 /nfs/dbraw/zinc/37/84/26/814378426.db2.gz NDJZMNYBGTYHJJ-UHFFFAOYSA-N 1 2 260.284 0.218 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001038458116 814431332 /nfs/dbraw/zinc/43/13/32/814431332.db2.gz QRXAYUIVGXYBLE-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001038458116 814431337 /nfs/dbraw/zinc/43/13/37/814431337.db2.gz QRXAYUIVGXYBLE-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001271840468 814605255 /nfs/dbraw/zinc/60/52/55/814605255.db2.gz YTYRFSDIXIGDOE-LBPRGKRZSA-N 1 2 292.387 0.100 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001127032058 815582196 /nfs/dbraw/zinc/58/21/96/815582196.db2.gz QPMSEMYVHPKUBQ-UHFFFAOYSA-N 1 2 298.774 0.319 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc3c(s2)CCC3)[C@@H](O)C1 ZINC001083641893 815587414 /nfs/dbraw/zinc/58/74/14/815587414.db2.gz GZSDCNMDAWUGDH-MNOVXSKESA-N 1 2 293.392 0.593 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc3c(s2)CCC3)[C@@H](O)C1 ZINC001083641893 815587415 /nfs/dbraw/zinc/58/74/15/815587415.db2.gz GZSDCNMDAWUGDH-MNOVXSKESA-N 1 2 293.392 0.593 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)[C@H]1C ZINC001088519373 814849171 /nfs/dbraw/zinc/84/91/71/814849171.db2.gz SGNLEEKMLBGQLV-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)[C@H]1C ZINC001088519373 814849174 /nfs/dbraw/zinc/84/91/74/814849174.db2.gz SGNLEEKMLBGQLV-WOPDTQHZSA-N 1 2 299.802 0.844 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC=C)C2)nn1 ZINC001098638596 814851411 /nfs/dbraw/zinc/85/14/11/814851411.db2.gz ZHTMKXKYPHTKFK-AWEZNQCLSA-N 1 2 287.367 0.741 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105453448 814892532 /nfs/dbraw/zinc/89/25/32/814892532.db2.gz FCCNXMQRLXROBS-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](O)C1 ZINC001083645441 815593595 /nfs/dbraw/zinc/59/35/95/815593595.db2.gz APGRDWJDXYXQTG-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](O)C1 ZINC001083645441 815593597 /nfs/dbraw/zinc/59/35/97/815593597.db2.gz APGRDWJDXYXQTG-KGLIPLIRSA-N 1 2 273.336 0.107 20 30 CCEDLO Cn1cc(CC[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001030224011 815907545 /nfs/dbraw/zinc/90/75/45/815907545.db2.gz HPXBJHCMNFUQML-UHFFFAOYSA-N 1 2 298.350 0.277 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030225546 815910080 /nfs/dbraw/zinc/91/00/80/815910080.db2.gz FPYFVUSKAPGJKC-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030235341 815916259 /nfs/dbraw/zinc/91/62/59/815916259.db2.gz VMJXBOOSMYDAQU-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001030331526 815978698 /nfs/dbraw/zinc/97/86/98/815978698.db2.gz HZTQMQUMNAIMNF-KGLIPLIRSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001030472945 816054257 /nfs/dbraw/zinc/05/42/57/816054257.db2.gz VUUNZXZARUTVFT-AWEZNQCLSA-N 1 2 299.378 0.269 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001030539086 816096108 /nfs/dbraw/zinc/09/61/08/816096108.db2.gz AYVQSNIFYAPKGM-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544606 816099583 /nfs/dbraw/zinc/09/95/83/816099583.db2.gz QYNRMAFMRWDLRP-NSHDSACASA-N 1 2 294.786 0.998 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001030552532 816102887 /nfs/dbraw/zinc/10/28/87/816102887.db2.gz LTLSBLCIWGNTOU-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001030552720 816103814 /nfs/dbraw/zinc/10/38/14/816103814.db2.gz NOANWPXXJZEXLZ-GFCCVEGCSA-N 1 2 272.352 0.269 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001030552745 816103832 /nfs/dbraw/zinc/10/38/32/816103832.db2.gz OTGLUEORRLZSMV-GFCCVEGCSA-N 1 2 274.368 0.822 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3ncnn32)C1 ZINC001030620917 816155806 /nfs/dbraw/zinc/15/58/06/816155806.db2.gz ITIIQQZLROAZEL-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C[N@H+](Cc1cc(C#N)ccn1)C1CCS(=O)(=O)CC1 ZINC001232479786 816162548 /nfs/dbraw/zinc/16/25/48/816162548.db2.gz YBLQMBAIPBBHNU-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)ccn1)C1CCS(=O)(=O)CC1 ZINC001232479786 816162551 /nfs/dbraw/zinc/16/25/51/816162551.db2.gz YBLQMBAIPBBHNU-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OCC)C1 ZINC001030699140 816233414 /nfs/dbraw/zinc/23/34/14/816233414.db2.gz LBSGPFCGEJRKIH-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498829 816301198 /nfs/dbraw/zinc/30/11/98/816301198.db2.gz YGMGSJZGVPIWTA-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001030835776 816330791 /nfs/dbraw/zinc/33/07/91/816330791.db2.gz AZMVKUJJWGSZNC-SMDDNHRTSA-N 1 2 286.379 0.899 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001030848866 816342855 /nfs/dbraw/zinc/34/28/55/816342855.db2.gz JFIMJWHRABZZEL-LLVKDONJSA-N 1 2 289.383 0.297 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001234172087 816506314 /nfs/dbraw/zinc/50/63/14/816506314.db2.gz VGWJMDKHNRHIBV-UONOGXRCSA-N 1 2 293.411 0.655 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001234172087 816506316 /nfs/dbraw/zinc/50/63/16/816506316.db2.gz VGWJMDKHNRHIBV-UONOGXRCSA-N 1 2 293.411 0.655 20 30 CCEDLO Cc1nc(NCCOCCN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001127259522 816515590 /nfs/dbraw/zinc/51/55/90/816515590.db2.gz VWDCGWLQWQZLLE-LLVKDONJSA-N 1 2 291.355 0.832 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001030987482 816536657 /nfs/dbraw/zinc/53/66/57/816536657.db2.gz QBTPEYVIXNDXIT-JQWIXIFHSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000699701653 816853761 /nfs/dbraw/zinc/85/37/61/816853761.db2.gz MLJFQHKSWVNIMW-UHFFFAOYSA-N 1 2 280.368 0.790 20 30 CCEDLO C#CCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272619475 816866436 /nfs/dbraw/zinc/86/64/36/816866436.db2.gz WEUIXJFKLSURRI-UHFFFAOYSA-N 1 2 286.331 0.439 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001031253170 816899238 /nfs/dbraw/zinc/89/92/38/816899238.db2.gz WJGXYYXUSQCZFU-LLVKDONJSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2csc(C)n2)C1 ZINC001031359358 816999839 /nfs/dbraw/zinc/99/98/39/816999839.db2.gz DXLAINRUFWELLA-UHFFFAOYSA-N 1 2 263.366 0.818 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1OC ZINC001212346863 817424348 /nfs/dbraw/zinc/42/43/48/817424348.db2.gz FOINSGBIAKEZGS-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1OC ZINC001212346863 817424352 /nfs/dbraw/zinc/42/43/52/817424352.db2.gz FOINSGBIAKEZGS-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cc1 ZINC001031892317 817446315 /nfs/dbraw/zinc/44/63/15/817446315.db2.gz WWZKTRWKGXZNGH-HNNXBMFYSA-N 1 2 297.358 0.218 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031897517 817449289 /nfs/dbraw/zinc/44/92/89/817449289.db2.gz TUPPDNLRAITPRR-MNOVXSKESA-N 1 2 285.775 0.298 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001031897516 817449718 /nfs/dbraw/zinc/44/97/18/817449718.db2.gz TUPPDNLRAITPRR-GHMZBOCLSA-N 1 2 285.775 0.298 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@@H](O)C1 ZINC001083771440 817480675 /nfs/dbraw/zinc/48/06/75/817480675.db2.gz ZGYKGRAMBCIPTQ-UTUOFQBUSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@@H](O)C1 ZINC001083771440 817480677 /nfs/dbraw/zinc/48/06/77/817480677.db2.gz ZGYKGRAMBCIPTQ-UTUOFQBUSA-N 1 2 286.322 0.606 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001124889738 817617799 /nfs/dbraw/zinc/61/77/99/817617799.db2.gz UDCRIVDMJUSGBO-VIFPVBQESA-N 1 2 289.295 0.695 20 30 CCEDLO CCOc1nnc(C[NH2+]CCNC(=O)[C@H](C)C#N)s1 ZINC001124908883 817634045 /nfs/dbraw/zinc/63/40/45/817634045.db2.gz UOVYESBXUUAKLQ-MRVPVSSYSA-N 1 2 283.357 0.302 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C=C(C)C)nn2)C1 ZINC001107123321 817774892 /nfs/dbraw/zinc/77/48/92/817774892.db2.gz GWULUYZLKYZCCF-UHFFFAOYSA-N 1 2 275.356 0.903 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccn1 ZINC001032291413 817787908 /nfs/dbraw/zinc/78/79/08/817787908.db2.gz JEAIYUHSJDMWAP-AGIUHOORSA-N 1 2 258.325 0.362 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccn1 ZINC001032291413 817787912 /nfs/dbraw/zinc/78/79/12/817787912.db2.gz JEAIYUHSJDMWAP-AGIUHOORSA-N 1 2 258.325 0.362 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C)c1 ZINC001032329915 817881811 /nfs/dbraw/zinc/88/18/11/817881811.db2.gz UNXRWZCRKFREFQ-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C)c1 ZINC001032329915 817881818 /nfs/dbraw/zinc/88/18/18/817881818.db2.gz UNXRWZCRKFREFQ-KBPBESRZSA-N 1 2 255.321 0.922 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001107714788 817960350 /nfs/dbraw/zinc/96/03/50/817960350.db2.gz HKVMSOWETOZBJE-OAHLLOKOSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001107714788 817960356 /nfs/dbraw/zinc/96/03/56/817960356.db2.gz HKVMSOWETOZBJE-OAHLLOKOSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107728383 817970006 /nfs/dbraw/zinc/97/00/06/817970006.db2.gz ZNOGRBUVPYIWLG-OAHLLOKOSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107728383 817970012 /nfs/dbraw/zinc/97/00/12/817970012.db2.gz ZNOGRBUVPYIWLG-OAHLLOKOSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2snnc2C)C1 ZINC001107729572 817970450 /nfs/dbraw/zinc/97/04/50/817970450.db2.gz NNWDDCZLRVHMFV-CYBMUJFWSA-N 1 2 296.396 0.853 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2snnc2C)C1 ZINC001107729572 817970454 /nfs/dbraw/zinc/97/04/54/817970454.db2.gz NNWDDCZLRVHMFV-CYBMUJFWSA-N 1 2 296.396 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1 ZINC001032357873 817982497 /nfs/dbraw/zinc/98/24/97/817982497.db2.gz JSMNWHSDJUFKQD-KBPBESRZSA-N 1 2 255.321 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1 ZINC001032357873 817982500 /nfs/dbraw/zinc/98/25/00/817982500.db2.gz JSMNWHSDJUFKQD-KBPBESRZSA-N 1 2 255.321 0.542 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777356 817997884 /nfs/dbraw/zinc/99/78/84/817997884.db2.gz MLPBUPFAOQXLLS-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777356 817997889 /nfs/dbraw/zinc/99/78/89/817997889.db2.gz MLPBUPFAOQXLLS-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107811570 818028858 /nfs/dbraw/zinc/02/88/58/818028858.db2.gz NUCGTTSRISAXDH-GXTWGEPZSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107811570 818028868 /nfs/dbraw/zinc/02/88/68/818028868.db2.gz NUCGTTSRISAXDH-GXTWGEPZSA-N 1 2 270.373 0.662 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C1CC1 ZINC001032815807 818051053 /nfs/dbraw/zinc/05/10/53/818051053.db2.gz PJQQTXVJPHYBPY-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C1CC1 ZINC001032815807 818051058 /nfs/dbraw/zinc/05/10/58/818051058.db2.gz PJQQTXVJPHYBPY-STQMWFEESA-N 1 2 284.363 0.829 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089976698 818106938 /nfs/dbraw/zinc/10/69/38/818106938.db2.gz PPLWZGZDPXJJIS-LSDHHAIUSA-N 1 2 273.336 0.630 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089976698 818106945 /nfs/dbraw/zinc/10/69/45/818106945.db2.gz PPLWZGZDPXJJIS-LSDHHAIUSA-N 1 2 273.336 0.630 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001089977755 818111462 /nfs/dbraw/zinc/11/14/62/818111462.db2.gz YANSSTHCTVKCCG-HUUCEWRRSA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001089977755 818111468 /nfs/dbraw/zinc/11/14/68/818111468.db2.gz YANSSTHCTVKCCG-HUUCEWRRSA-N 1 2 291.326 0.769 20 30 CCEDLO CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128273280 818147520 /nfs/dbraw/zinc/14/75/20/818147520.db2.gz CDLDRFISTUZCRI-LLVKDONJSA-N 1 2 275.356 0.885 20 30 CCEDLO CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128273280 818147526 /nfs/dbraw/zinc/14/75/26/818147526.db2.gz CDLDRFISTUZCRI-LLVKDONJSA-N 1 2 275.356 0.885 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032935975 818370332 /nfs/dbraw/zinc/37/03/32/818370332.db2.gz UWSJHWZHCFSYLZ-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC001032935975 818370340 /nfs/dbraw/zinc/37/03/40/818370340.db2.gz UWSJHWZHCFSYLZ-VIFPVBQESA-N 1 2 250.327 0.318 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@@H](O)C1 ZINC001083839697 818549651 /nfs/dbraw/zinc/54/96/51/818549651.db2.gz MAVJMXHHOMZPHW-DMRKSPOLSA-N 1 2 296.370 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@@H](O)C1 ZINC001083839697 818549656 /nfs/dbraw/zinc/54/96/56/818549656.db2.gz MAVJMXHHOMZPHW-DMRKSPOLSA-N 1 2 296.370 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083849981 818665300 /nfs/dbraw/zinc/66/53/00/818665300.db2.gz DZQWTSUISQQKKR-CBZIJGRNSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083849981 818665304 /nfs/dbraw/zinc/66/53/04/818665304.db2.gz DZQWTSUISQQKKR-CBZIJGRNSA-N 1 2 298.386 0.975 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090123181 818666575 /nfs/dbraw/zinc/66/65/75/818666575.db2.gz MMAAJXSCTJELKC-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 ZINC001090123181 818666578 /nfs/dbraw/zinc/66/65/78/818666578.db2.gz MMAAJXSCTJELKC-QWRGUYRKSA-N 1 2 299.758 0.901 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001034282140 819152902 /nfs/dbraw/zinc/15/29/02/819152902.db2.gz MHOYSVZULUDVCO-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001034282140 819152908 /nfs/dbraw/zinc/15/29/08/819152908.db2.gz MHOYSVZULUDVCO-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136338 819280602 /nfs/dbraw/zinc/28/06/02/819280602.db2.gz RYVBOECFXJIXJX-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO N#Cc1ccc2c(c1)ncnc2-n1[nH]c(=O)nc1C[NH3+] ZINC001168756381 819294870 /nfs/dbraw/zinc/29/48/70/819294870.db2.gz QKJMVFOAYDCXPD-UHFFFAOYSA-N 1 2 267.252 0.246 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001035276187 819443453 /nfs/dbraw/zinc/44/34/53/819443453.db2.gz MWPBQBQVJXWNQH-AWEZNQCLSA-N 1 2 291.351 0.327 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001035276187 819443460 /nfs/dbraw/zinc/44/34/60/819443460.db2.gz MWPBQBQVJXWNQH-AWEZNQCLSA-N 1 2 291.351 0.327 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035307283 819459147 /nfs/dbraw/zinc/45/91/47/819459147.db2.gz OGIVXGCADACKDD-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035307283 819459154 /nfs/dbraw/zinc/45/91/54/819459154.db2.gz OGIVXGCADACKDD-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035328275 819473953 /nfs/dbraw/zinc/47/39/53/819473953.db2.gz VPGRKDBATOEOED-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035328275 819473959 /nfs/dbraw/zinc/47/39/59/819473959.db2.gz VPGRKDBATOEOED-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333461 819476871 /nfs/dbraw/zinc/47/68/71/819476871.db2.gz JFLGQJLYTOMODZ-CYBMUJFWSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333461 819476874 /nfs/dbraw/zinc/47/68/74/819476874.db2.gz JFLGQJLYTOMODZ-CYBMUJFWSA-N 1 2 279.315 0.837 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035338394 819479381 /nfs/dbraw/zinc/47/93/81/819479381.db2.gz HKCTYBRZAVPQJP-AWEZNQCLSA-N 1 2 286.335 0.340 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035338394 819479386 /nfs/dbraw/zinc/47/93/86/819479386.db2.gz HKCTYBRZAVPQJP-AWEZNQCLSA-N 1 2 286.335 0.340 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428361 819514274 /nfs/dbraw/zinc/51/42/74/819514274.db2.gz YQMQONSKJZOCNV-GFCCVEGCSA-N 1 2 290.367 0.426 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001035428361 819514281 /nfs/dbraw/zinc/51/42/81/819514281.db2.gz YQMQONSKJZOCNV-GFCCVEGCSA-N 1 2 290.367 0.426 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035450689 819528151 /nfs/dbraw/zinc/52/81/51/819528151.db2.gz VSKPGMHZKVTOMA-NSHDSACASA-N 1 2 267.304 0.770 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035450689 819528157 /nfs/dbraw/zinc/52/81/57/819528157.db2.gz VSKPGMHZKVTOMA-NSHDSACASA-N 1 2 267.304 0.770 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2conc2C)C1 ZINC001035492227 819547962 /nfs/dbraw/zinc/54/79/62/819547962.db2.gz BVYNBVIMZHBISQ-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2conc2C)C1 ZINC001035492227 819547964 /nfs/dbraw/zinc/54/79/64/819547964.db2.gz BVYNBVIMZHBISQ-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oncc2C)C1 ZINC001035567630 819558842 /nfs/dbraw/zinc/55/88/42/819558842.db2.gz KHDWLJWYHODQQU-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oncc2C)C1 ZINC001035567630 819558851 /nfs/dbraw/zinc/55/88/51/819558851.db2.gz KHDWLJWYHODQQU-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO CCCCCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000705760125 819559575 /nfs/dbraw/zinc/55/95/75/819559575.db2.gz ZXUVQICHJFWJQE-LBPRGKRZSA-N 1 2 269.389 0.893 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001035557925 819568610 /nfs/dbraw/zinc/56/86/10/819568610.db2.gz KGQGFPPHRHLVBO-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001035557925 819568616 /nfs/dbraw/zinc/56/86/16/819568616.db2.gz KGQGFPPHRHLVBO-LBPRGKRZSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)[C@@H](n2ccnn2)C1 ZINC001129233690 819703006 /nfs/dbraw/zinc/70/30/06/819703006.db2.gz XTBBAXABBWWRPB-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CC2)[C@@H](n2ccnn2)C1 ZINC001129233690 819703013 /nfs/dbraw/zinc/70/30/13/819703013.db2.gz XTBBAXABBWWRPB-OLZOCXBDSA-N 1 2 287.367 0.443 20 30 CCEDLO C#CCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000710935943 819866573 /nfs/dbraw/zinc/86/65/73/819866573.db2.gz ZKOQZDNMTFPZDV-UHFFFAOYSA-N 1 2 255.343 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001083872140 819981928 /nfs/dbraw/zinc/98/19/28/819981928.db2.gz QWNSOLRXVCZQHD-GLQYFDAESA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001083872140 819981933 /nfs/dbraw/zinc/98/19/33/819981933.db2.gz QWNSOLRXVCZQHD-GLQYFDAESA-N 1 2 290.338 0.724 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001063517933 820155105 /nfs/dbraw/zinc/15/51/05/820155105.db2.gz RRBKSRGPOTZSPQ-LLVKDONJSA-N 1 2 289.339 0.198 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090361493 820300642 /nfs/dbraw/zinc/30/06/42/820300642.db2.gz PQTGXFWAXASZBX-JSGCOSHPSA-N 1 2 299.334 0.251 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090361496 820301176 /nfs/dbraw/zinc/30/11/76/820301176.db2.gz PQTGXFWAXASZBX-TZMCWYRMSA-N 1 2 299.334 0.251 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082033549 820889105 /nfs/dbraw/zinc/88/91/05/820889105.db2.gz NUKVXVQVQCLGDV-NFAWXSAZSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082033549 820889107 /nfs/dbraw/zinc/88/91/07/820889107.db2.gz NUKVXVQVQCLGDV-NFAWXSAZSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@H](OC)C1 ZINC001082126720 820901669 /nfs/dbraw/zinc/90/16/69/820901669.db2.gz PUQWDOROIXYNHS-OUCADQQQSA-N 1 2 276.336 0.832 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@H](OC)C1 ZINC001082126720 820901673 /nfs/dbraw/zinc/90/16/73/820901673.db2.gz PUQWDOROIXYNHS-OUCADQQQSA-N 1 2 276.336 0.832 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001082149963 820908919 /nfs/dbraw/zinc/90/89/19/820908919.db2.gz YCKNIZLZBVBESN-FVCCEPFGSA-N 1 2 286.347 0.362 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001082149963 820908926 /nfs/dbraw/zinc/90/89/26/820908926.db2.gz YCKNIZLZBVBESN-FVCCEPFGSA-N 1 2 286.347 0.362 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001082332332 820937060 /nfs/dbraw/zinc/93/70/60/820937060.db2.gz DVFXOBSNKXTGJU-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001082332332 820937066 /nfs/dbraw/zinc/93/70/66/820937066.db2.gz DVFXOBSNKXTGJU-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO N#CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC001118927662 820999409 /nfs/dbraw/zinc/99/94/09/820999409.db2.gz AWYDDFQCKGANTO-UPHRSURJSA-N 1 2 279.340 0.064 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1NCC#N ZINC001082604381 821005623 /nfs/dbraw/zinc/00/56/23/821005623.db2.gz NHSBIODSRIJSSY-MBNYWOFBSA-N 1 2 287.367 0.406 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083021955 821109829 /nfs/dbraw/zinc/10/98/29/821109829.db2.gz KAXOEZJDJMFQGM-QWHCGFSZSA-N 1 2 291.376 0.692 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001083021955 821109835 /nfs/dbraw/zinc/10/98/35/821109835.db2.gz KAXOEZJDJMFQGM-QWHCGFSZSA-N 1 2 291.376 0.692 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(F)c3)[C@H]2C1 ZINC001083021820 821110937 /nfs/dbraw/zinc/11/09/37/821110937.db2.gz DEMFGVVGXKDUIJ-QWHCGFSZSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(F)c3)[C@H]2C1 ZINC001083021820 821110944 /nfs/dbraw/zinc/11/09/44/821110944.db2.gz DEMFGVVGXKDUIJ-QWHCGFSZSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)sn3)[C@H]2C1 ZINC001083064183 821132014 /nfs/dbraw/zinc/13/20/14/821132014.db2.gz WXEHMFZTOWDDKI-QWHCGFSZSA-N 1 2 291.376 0.610 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)sn3)[C@H]2C1 ZINC001083064183 821132021 /nfs/dbraw/zinc/13/20/21/821132021.db2.gz WXEHMFZTOWDDKI-QWHCGFSZSA-N 1 2 291.376 0.610 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](O)C1 ZINC001084024849 821177631 /nfs/dbraw/zinc/17/76/31/821177631.db2.gz UIZXZWMHRAFWCS-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](O)C1 ZINC001084024849 821177635 /nfs/dbraw/zinc/17/76/35/821177635.db2.gz UIZXZWMHRAFWCS-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001084028460 821178866 /nfs/dbraw/zinc/17/88/66/821178866.db2.gz ZCFUBCLGLYPLAR-CABCVRRESA-N 1 2 284.359 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001084028460 821178871 /nfs/dbraw/zinc/17/88/71/821178871.db2.gz ZCFUBCLGLYPLAR-CABCVRRESA-N 1 2 284.359 0.513 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c3c2CCC3)[C@@H](O)C1 ZINC001084099481 821198562 /nfs/dbraw/zinc/19/85/62/821198562.db2.gz XTHKECWRYCXDSD-SJORKVTESA-N 1 2 298.386 0.892 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c3c2CCC3)[C@@H](O)C1 ZINC001084099481 821198568 /nfs/dbraw/zinc/19/85/68/821198568.db2.gz XTHKECWRYCXDSD-SJORKVTESA-N 1 2 298.386 0.892 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084577444 821317262 /nfs/dbraw/zinc/31/72/62/821317262.db2.gz MTEYCGPXTNMVIB-VXGBXAGGSA-N 1 2 279.384 0.477 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084577444 821317271 /nfs/dbraw/zinc/31/72/71/821317271.db2.gz MTEYCGPXTNMVIB-VXGBXAGGSA-N 1 2 279.384 0.477 20 30 CCEDLO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084622388 821323997 /nfs/dbraw/zinc/32/39/97/821323997.db2.gz WKCKJVSIXVLXNO-HUUCEWRRSA-N 1 2 297.358 0.056 20 30 CCEDLO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084622388 821324004 /nfs/dbraw/zinc/32/40/04/821324004.db2.gz WKCKJVSIXVLXNO-HUUCEWRRSA-N 1 2 297.358 0.056 20 30 CCEDLO C=CCCOCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001119599005 821386671 /nfs/dbraw/zinc/38/66/71/821386671.db2.gz XJSAZCJOVQKWFJ-OWBHPGMISA-N 1 2 282.384 0.974 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C[C@@H]1O ZINC001099856305 821447321 /nfs/dbraw/zinc/44/73/21/821447321.db2.gz VGXCYLFNAXKVQD-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C[C@@H]1O ZINC001099856305 821447327 /nfs/dbraw/zinc/44/73/27/821447327.db2.gz VGXCYLFNAXKVQD-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ccncc12 ZINC001085643473 821866546 /nfs/dbraw/zinc/86/65/46/821866546.db2.gz PHULJHBTKLVKIQ-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ccncc12 ZINC001085643473 821866554 /nfs/dbraw/zinc/86/65/54/821866554.db2.gz PHULJHBTKLVKIQ-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085713340 821914348 /nfs/dbraw/zinc/91/43/48/821914348.db2.gz IBNFNRYBWMQYCW-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)n(C)n1 ZINC001085713340 821914350 /nfs/dbraw/zinc/91/43/50/821914350.db2.gz IBNFNRYBWMQYCW-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2nccn2c1 ZINC001085723918 821921862 /nfs/dbraw/zinc/92/18/62/821921862.db2.gz IIVAFJFKPLXYTM-ZDUSSCGKSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2nccn2c1 ZINC001085723918 821921866 /nfs/dbraw/zinc/92/18/66/821921866.db2.gz IIVAFJFKPLXYTM-ZDUSSCGKSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(c1)ncn2C ZINC001085760440 821937405 /nfs/dbraw/zinc/93/74/05/821937405.db2.gz KKQSKIXRDLLORW-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2c(c1)ncn2C ZINC001085760440 821937414 /nfs/dbraw/zinc/93/74/14/821937414.db2.gz KKQSKIXRDLLORW-CYBMUJFWSA-N 1 2 297.362 0.748 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nnn(CC)c1CC ZINC001085815893 821964632 /nfs/dbraw/zinc/96/46/32/821964632.db2.gz HGCOCWYSWMQDEY-LBPRGKRZSA-N 1 2 289.383 0.640 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nnn(CC)c1CC ZINC001085815893 821964643 /nfs/dbraw/zinc/96/46/43/821964643.db2.gz HGCOCWYSWMQDEY-LBPRGKRZSA-N 1 2 289.383 0.640 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc2ncccn2n1 ZINC001085883730 821998486 /nfs/dbraw/zinc/99/84/86/821998486.db2.gz LQWNUZAUAFKIOE-GFCCVEGCSA-N 1 2 298.350 0.294 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc2ncccn2n1 ZINC001085883730 821998492 /nfs/dbraw/zinc/99/84/92/821998492.db2.gz LQWNUZAUAFKIOE-GFCCVEGCSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2nccc2nc1C ZINC001085900968 822005175 /nfs/dbraw/zinc/00/51/75/822005175.db2.gz UUKLHIKHUGPGKO-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2nccc2nc1C ZINC001085900968 822005183 /nfs/dbraw/zinc/00/51/83/822005183.db2.gz UUKLHIKHUGPGKO-ZDUSSCGKSA-N 1 2 297.362 0.817 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897263 822007735 /nfs/dbraw/zinc/00/77/35/822007735.db2.gz ZVKSTHNNXGKUGH-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897263 822007743 /nfs/dbraw/zinc/00/77/43/822007743.db2.gz ZVKSTHNNXGKUGH-NSHDSACASA-N 1 2 261.329 0.078 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085897560 822008957 /nfs/dbraw/zinc/00/89/57/822008957.db2.gz HUBFOMRNLMGKBM-ZDUSSCGKSA-N 1 2 289.383 0.858 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085897560 822008962 /nfs/dbraw/zinc/00/89/62/822008962.db2.gz HUBFOMRNLMGKBM-ZDUSSCGKSA-N 1 2 289.383 0.858 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(CCOC)CC2)C1 ZINC001273374791 822025785 /nfs/dbraw/zinc/02/57/85/822025785.db2.gz MINCMVHTAFEKHK-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997497 822061157 /nfs/dbraw/zinc/06/11/57/822061157.db2.gz SXUJLIKGGRMUDS-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997497 822061159 /nfs/dbraw/zinc/06/11/59/822061159.db2.gz SXUJLIKGGRMUDS-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086128003 822121387 /nfs/dbraw/zinc/12/13/87/822121387.db2.gz YGYHTVQMXHUYOI-UPJWGTAASA-N 1 2 287.367 0.453 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086194962 822150234 /nfs/dbraw/zinc/15/02/34/822150234.db2.gz YCTCTKUWXSUVKL-TUAOUCFPSA-N 1 2 287.367 0.838 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287092 822303255 /nfs/dbraw/zinc/30/32/55/822303255.db2.gz KPUJZELAGDLJGH-AWEZNQCLSA-N 1 2 293.371 0.592 20 30 CCEDLO CCc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114064417 837425520 /nfs/dbraw/zinc/42/55/20/837425520.db2.gz QVHWSOKTFIBWNQ-PQFRYHKHSA-N 1 2 288.351 0.943 20 30 CCEDLO CCc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114064417 837425522 /nfs/dbraw/zinc/42/55/22/837425522.db2.gz QVHWSOKTFIBWNQ-PQFRYHKHSA-N 1 2 288.351 0.943 20 30 CCEDLO N#Cc1cc2nc(-n3[nH]c(=O)nc3C[NH3+])ccc2[nH]1 ZINC001157941252 837747827 /nfs/dbraw/zinc/74/78/27/837747827.db2.gz YLDVGFHGBCBAEE-UHFFFAOYSA-N 1 2 255.241 0.180 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183936436 844114660 /nfs/dbraw/zinc/11/46/60/844114660.db2.gz PPYZLBUFGCVHOQ-NSHDSACASA-N 1 2 260.297 0.347 20 30 CCEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001169632518 836391751 /nfs/dbraw/zinc/39/17/51/836391751.db2.gz ZQXLKKJEWWUOGG-CQSZACIVSA-N 1 2 295.383 0.938 20 30 CCEDLO CCOC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001169681688 836419089 /nfs/dbraw/zinc/41/90/89/836419089.db2.gz JDUZUYYVVXIWFO-CHWSQXEVSA-N 1 2 280.372 0.795 20 30 CCEDLO CS(=O)(=O)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001169877192 836462724 /nfs/dbraw/zinc/46/27/24/836462724.db2.gz ZKUWNKDSMBORRQ-MOENNCHZSA-N 1 2 271.386 0.140 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169906088 836477234 /nfs/dbraw/zinc/47/72/34/836477234.db2.gz SXRSVJDNPBRURE-UWVGGRQHSA-N 1 2 275.370 0.733 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21)c1cccnc1 ZINC001115306462 836495256 /nfs/dbraw/zinc/49/52/56/836495256.db2.gz PFMGRMIIPRMQKB-CBBWQLFWSA-N 1 2 299.378 0.254 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718749 836515376 /nfs/dbraw/zinc/51/53/76/836515376.db2.gz RYVBOECFXJIXJX-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001108887537 836568519 /nfs/dbraw/zinc/56/85/19/836568519.db2.gz JSQVZWHIEMXMDO-RYDUCSDGSA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001108887537 836568523 /nfs/dbraw/zinc/56/85/23/836568523.db2.gz JSQVZWHIEMXMDO-RYDUCSDGSA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)=O)C2 ZINC001108956245 836583942 /nfs/dbraw/zinc/58/39/42/836583942.db2.gz JUKHISNBEZEKTJ-AGIUHOORSA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)=O)C2 ZINC001108956245 836583946 /nfs/dbraw/zinc/58/39/46/836583946.db2.gz JUKHISNBEZEKTJ-AGIUHOORSA-N 1 2 299.802 0.939 20 30 CCEDLO C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001109015114 836599253 /nfs/dbraw/zinc/59/92/53/836599253.db2.gz VAWRWBYLPAGONY-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cocn1)C2 ZINC001109068355 836607562 /nfs/dbraw/zinc/60/75/62/836607562.db2.gz SUKHDZIOJRADEG-DYEKYZERSA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cocn1)C2 ZINC001109068355 836607567 /nfs/dbraw/zinc/60/75/67/836607567.db2.gz SUKHDZIOJRADEG-DYEKYZERSA-N 1 2 289.335 0.660 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001109545780 836695552 /nfs/dbraw/zinc/69/55/52/836695552.db2.gz MQTWIPFCVRGMEZ-AGIUHOORSA-N 1 2 287.367 0.598 20 30 CCEDLO CN(CCCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633665 836707817 /nfs/dbraw/zinc/70/78/17/836707817.db2.gz LPEUPXKODRZNJO-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110015649 836763282 /nfs/dbraw/zinc/76/32/82/836763282.db2.gz KJJRWXMBAAVXMO-AGIUHOORSA-N 1 2 291.395 0.503 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110015649 836763289 /nfs/dbraw/zinc/76/32/89/836763289.db2.gz KJJRWXMBAAVXMO-AGIUHOORSA-N 1 2 291.395 0.503 20 30 CCEDLO C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)CSCC#N)CC2)O1 ZINC001112629930 836831288 /nfs/dbraw/zinc/83/12/88/836831288.db2.gz HQPAGONQEGVSLW-OLZOCXBDSA-N 1 2 297.424 0.955 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)NC)CC1 ZINC001112779134 836909159 /nfs/dbraw/zinc/90/91/59/836909159.db2.gz KBKKCDXVPJULEC-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001112834475 836933977 /nfs/dbraw/zinc/93/39/77/836933977.db2.gz PLTYMETURPGPFV-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC2(COC)CC2)CC1 ZINC001112841662 836940703 /nfs/dbraw/zinc/94/07/03/836940703.db2.gz GVYQCAWGWOMMIK-UHFFFAOYSA-N 1 2 264.369 0.971 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC(=C)C)NC(C)=O)CC1 ZINC001113408985 837110383 /nfs/dbraw/zinc/11/03/83/837110383.db2.gz OICQSKMOTUZBKX-AWEZNQCLSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CNC(C)=O)CC1 ZINC001113423877 837114920 /nfs/dbraw/zinc/11/49/20/837114920.db2.gz WVGMSNOYASCBHP-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCOCC)c2)CC1 ZINC001113459588 837120481 /nfs/dbraw/zinc/12/04/81/837120481.db2.gz FKBYMGQKYVKLCK-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)COC)CC1 ZINC001113484999 837132040 /nfs/dbraw/zinc/13/20/40/837132040.db2.gz YVXMRHCXWORZGE-ZDUSSCGKSA-N 1 2 252.358 0.827 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCC(=O)NCCC)CC1 ZINC001113557634 837159674 /nfs/dbraw/zinc/15/96/74/837159674.db2.gz GUBYXLKYAYNMIP-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1cnc(C#N)cn1 ZINC001113644973 837186882 /nfs/dbraw/zinc/18/68/82/837186882.db2.gz ONULMVQQOCBLOV-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C=CCCOCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113707822 837202362 /nfs/dbraw/zinc/20/23/62/837202362.db2.gz BUHUBLDFESEADW-UHFFFAOYSA-N 1 2 292.383 0.657 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOC)CC1 ZINC001113712849 837204060 /nfs/dbraw/zinc/20/40/60/837204060.db2.gz GYGRRPLQFHKXTF-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCC=C)CC1 ZINC001113713748 837204225 /nfs/dbraw/zinc/20/42/25/837204225.db2.gz XLSIXMKUYDZCMG-AWEZNQCLSA-N 1 2 282.384 0.924 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1c(C)ccnc1C#N ZINC001170344731 837323045 /nfs/dbraw/zinc/32/30/45/837323045.db2.gz SPDNQJRCQUKGJA-UHFFFAOYSA-N 1 2 257.297 0.963 20 30 CCEDLO N#C[C@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)C(N)=O ZINC001170541845 838006024 /nfs/dbraw/zinc/00/60/24/838006024.db2.gz FHTOJYYKPXCXIU-JTQLQIEISA-N 1 2 259.244 0.801 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1CNCC#N ZINC001184901191 844308094 /nfs/dbraw/zinc/30/80/94/844308094.db2.gz BDEPGFSDYSOHNT-UONOGXRCSA-N 1 2 289.383 0.871 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001132591138 838446024 /nfs/dbraw/zinc/44/60/24/838446024.db2.gz HVKHDERCNFHWCL-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001134052912 838844043 /nfs/dbraw/zinc/84/40/43/838844043.db2.gz FTZKKAQVINPING-MNOVXSKESA-N 1 2 282.369 0.335 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)CN(CCOCC)C(=O)CO2 ZINC001273537280 844678474 /nfs/dbraw/zinc/67/84/74/844678474.db2.gz FBDZPXUDISLBLI-UHFFFAOYSA-N 1 2 280.368 0.350 20 30 CCEDLO O=C(CCS)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001143977848 839908230 /nfs/dbraw/zinc/90/82/30/839908230.db2.gz DYYYABDXHGCLGI-UHFFFAOYSA-N 1 2 284.385 0.474 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccn3ncnc3c2)cc1 ZINC001171256462 840214963 /nfs/dbraw/zinc/21/49/63/840214963.db2.gz JDSCOLXIKNOPTN-UHFFFAOYSA-N 1 2 280.291 0.865 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001147165857 840507739 /nfs/dbraw/zinc/50/77/39/840507739.db2.gz LACGWHLPXSZNNL-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001147165857 840507742 /nfs/dbraw/zinc/50/77/42/840507742.db2.gz LACGWHLPXSZNNL-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(C)o2)nc1 ZINC001148369933 840794862 /nfs/dbraw/zinc/79/48/62/840794862.db2.gz ADQULXCMLHGOCM-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCCOC)C[C@@]2(F)C1=O ZINC001273526135 844590548 /nfs/dbraw/zinc/59/05/48/844590548.db2.gz WCEMVMBWCBINEC-UONOGXRCSA-N 1 2 286.322 0.621 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCCOC)C[C@@]2(F)C1=O ZINC001273526135 844590554 /nfs/dbraw/zinc/59/05/54/844590554.db2.gz WCEMVMBWCBINEC-UONOGXRCSA-N 1 2 286.322 0.621 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocn1)C2 ZINC001110386644 844623736 /nfs/dbraw/zinc/62/37/36/844623736.db2.gz SUKHDZIOJRADEG-BZPMIXESSA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocn1)C2 ZINC001110386644 844623739 /nfs/dbraw/zinc/62/37/39/844623739.db2.gz SUKHDZIOJRADEG-BZPMIXESSA-N 1 2 289.335 0.660 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830662 841336777 /nfs/dbraw/zinc/33/67/77/841336777.db2.gz YVPJFHNMAWNDQW-YPMHNXCESA-N 1 2 273.340 0.399 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001093829729 841471554 /nfs/dbraw/zinc/47/15/54/841471554.db2.gz WVDVVDNYRDLLHF-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO N#Cc1cnc(NCCNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001094150473 841549610 /nfs/dbraw/zinc/54/96/10/841549610.db2.gz JJWOHBDKPRLRRI-UHFFFAOYSA-N 1 2 288.286 0.586 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccccn3)nn2)C1 ZINC001094266022 841573007 /nfs/dbraw/zinc/57/30/07/841573007.db2.gz HGOFEPAUGJQTBR-UHFFFAOYSA-N 1 2 298.350 0.646 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CC=CC3)nn2)C1 ZINC001094281588 841587377 /nfs/dbraw/zinc/58/73/77/841587377.db2.gz WZPLECMYMBOSFD-UHFFFAOYSA-N 1 2 287.367 0.903 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(C)C)CC2=O)C1 ZINC001094707475 841698177 /nfs/dbraw/zinc/69/81/77/841698177.db2.gz LLGGDPOADOZOHV-GFCCVEGCSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3CCC3)CC2=O)C1 ZINC001094694986 841707383 /nfs/dbraw/zinc/70/73/83/841707383.db2.gz KQCGZANDEWQHKR-CYBMUJFWSA-N 1 2 291.395 0.764 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001172797574 841980419 /nfs/dbraw/zinc/98/04/19/841980419.db2.gz RXGIHFSSPHDHMW-FRRDWIJNSA-N 1 2 265.357 0.906 20 30 CCEDLO COc1cccc2c1C[C@@H](N1CC[NH2+]C[C@H]1C#N)CO2 ZINC001173155191 842010446 /nfs/dbraw/zinc/01/04/46/842010446.db2.gz SATRUXOJQZVAQA-VXGBXAGGSA-N 1 2 273.336 0.796 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095064695 842017091 /nfs/dbraw/zinc/01/70/91/842017091.db2.gz WWSCEJMZEZIVCS-WCQYABFASA-N 1 2 288.351 0.836 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](c3cnccn3)C2)CCC1 ZINC001176515651 842382604 /nfs/dbraw/zinc/38/26/04/842382604.db2.gz KVLNHUUSHJGXNP-LBPRGKRZSA-N 1 2 285.351 0.828 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](c3cnccn3)C2)CCC1 ZINC001176515651 842382618 /nfs/dbraw/zinc/38/26/18/842382618.db2.gz KVLNHUUSHJGXNP-LBPRGKRZSA-N 1 2 285.351 0.828 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900659 842459310 /nfs/dbraw/zinc/45/93/10/842459310.db2.gz OONUJXYXOHQJLJ-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900659 842459316 /nfs/dbraw/zinc/45/93/16/842459316.db2.gz OONUJXYXOHQJLJ-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962241 842471374 /nfs/dbraw/zinc/47/13/74/842471374.db2.gz GXYDEUFSIBHDBP-CABCVRRESA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962241 842471380 /nfs/dbraw/zinc/47/13/80/842471380.db2.gz GXYDEUFSIBHDBP-CABCVRRESA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177087701 842504811 /nfs/dbraw/zinc/50/48/11/842504811.db2.gz FUWGUMJCDNKFNW-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177087701 842504818 /nfs/dbraw/zinc/50/48/18/842504818.db2.gz FUWGUMJCDNKFNW-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C#CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177089208 842506528 /nfs/dbraw/zinc/50/65/28/842506528.db2.gz UPYXCHUBAXSEOO-NSHDSACASA-N 1 2 292.339 0.595 20 30 CCEDLO C#CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177089208 842506532 /nfs/dbraw/zinc/50/65/32/842506532.db2.gz UPYXCHUBAXSEOO-NSHDSACASA-N 1 2 292.339 0.595 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ncc(F)cn2)CC1 ZINC001177400117 842575676 /nfs/dbraw/zinc/57/56/76/842575676.db2.gz BTDOYYAKGOGKNG-UHFFFAOYSA-N 1 2 264.304 0.488 20 30 CCEDLO O=C(C#Cc1ccccn1)NCC1([NH+]2CCCC2)COC1 ZINC001177805855 842682943 /nfs/dbraw/zinc/68/29/43/842682943.db2.gz MGGNPWRZIJWALR-UHFFFAOYSA-N 1 2 285.347 0.414 20 30 CCEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001179454512 843002605 /nfs/dbraw/zinc/00/26/05/843002605.db2.gz ABVLMRJTAQTMGX-RYUDHWBXSA-N 1 2 292.387 0.645 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccccc2C#N)C1 ZINC001181802878 843620160 /nfs/dbraw/zinc/62/01/60/843620160.db2.gz YEBZJDHHCSPBLA-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccccc2C#N)C1 ZINC001181802878 843620167 /nfs/dbraw/zinc/62/01/67/843620167.db2.gz YEBZJDHHCSPBLA-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COC(=O)[C@H]2C)CC1 ZINC001182080817 843709989 /nfs/dbraw/zinc/70/99/89/843709989.db2.gz NWCKLMMGCQXIHX-WDEREUQCSA-N 1 2 252.314 0.126 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC001193173218 845996163 /nfs/dbraw/zinc/99/61/63/845996163.db2.gz KMLMLLVIANNFQR-VIFPVBQESA-N 1 2 263.338 0.252 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001193178536 846024621 /nfs/dbraw/zinc/02/46/21/846024621.db2.gz KKOKRNQNQONKBY-GHMZBOCLSA-N 1 2 280.353 0.492 20 30 CCEDLO N#Cc1cccc(C(=O)NC(=N)SCC[NH3+])c1O ZINC001193658195 846140045 /nfs/dbraw/zinc/14/00/45/846140045.db2.gz XKJFFXSRINKVIY-UHFFFAOYSA-N 1 2 264.310 0.620 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629672 846333662 /nfs/dbraw/zinc/33/36/62/846333662.db2.gz QNOODAPQSMSNPC-GFCCVEGCSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629672 846333674 /nfs/dbraw/zinc/33/36/74/846333674.db2.gz QNOODAPQSMSNPC-GFCCVEGCSA-N 1 2 297.374 0.407 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccon2)CC1 ZINC001194991829 846436483 /nfs/dbraw/zinc/43/64/83/846436483.db2.gz ZOGVINHDBNFILB-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccon2)CC1 ZINC001194991829 846436491 /nfs/dbraw/zinc/43/64/91/846436491.db2.gz ZOGVINHDBNFILB-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001273689024 846436577 /nfs/dbraw/zinc/43/65/77/846436577.db2.gz ZVEYEIKKLCTBHV-RYUDHWBXSA-N 1 2 281.356 0.142 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001195312267 846502088 /nfs/dbraw/zinc/50/20/88/846502088.db2.gz KSJYXGLTXZXWFF-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001195312267 846502091 /nfs/dbraw/zinc/50/20/91/846502091.db2.gz KSJYXGLTXZXWFF-CHWSQXEVSA-N 1 2 293.367 0.857 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196889316 846810656 /nfs/dbraw/zinc/81/06/56/846810656.db2.gz BHSFLKWFEVYNGN-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196889316 846810664 /nfs/dbraw/zinc/81/06/64/846810664.db2.gz BHSFLKWFEVYNGN-STQMWFEESA-N 1 2 281.400 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001199643115 847382204 /nfs/dbraw/zinc/38/22/04/847382204.db2.gz DYWZFJLOGYWAKQ-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001199643115 847382214 /nfs/dbraw/zinc/38/22/14/847382214.db2.gz DYWZFJLOGYWAKQ-RBSFLKMASA-N 1 2 294.395 0.376 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273949829 847912706 /nfs/dbraw/zinc/91/27/06/847912706.db2.gz AXGYJEKAGBDGFS-HNNXBMFYSA-N 1 2 278.352 0.150 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273949829 847912711 /nfs/dbraw/zinc/91/27/11/847912711.db2.gz AXGYJEKAGBDGFS-HNNXBMFYSA-N 1 2 278.352 0.150 20 30 CCEDLO COC(CNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2)OC ZINC001274030153 848309619 /nfs/dbraw/zinc/30/96/19/848309619.db2.gz DVNUHLLRTSNGAU-GFCCVEGCSA-N 1 2 295.383 0.737 20 30 CCEDLO CCOCCN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274040427 848315335 /nfs/dbraw/zinc/31/53/35/848315335.db2.gz OIHUYHOOMBNOCF-UHFFFAOYSA-N 1 2 295.383 0.630 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615245 848523524 /nfs/dbraw/zinc/52/35/24/848523524.db2.gz RBSDVAWGEHHRPG-MELADBBJSA-N 1 2 286.322 0.684 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615245 848523527 /nfs/dbraw/zinc/52/35/27/848523527.db2.gz RBSDVAWGEHHRPG-MELADBBJSA-N 1 2 286.322 0.684 20 30 CCEDLO N#CCCCN1C(=O)COCC12CN(c1cccc[nH+]1)C2 ZINC001274740664 848556209 /nfs/dbraw/zinc/55/62/09/848556209.db2.gz ZMFCZJKKKWGCFA-UHFFFAOYSA-N 1 2 286.335 0.803 20 30 CCEDLO C#CCN1C[C@]2(CC1=O)COCCN(c1cccc[nH+]1)C2 ZINC001274740005 848556435 /nfs/dbraw/zinc/55/64/35/848556435.db2.gz QIYAENGEEKVEPC-MRXNPFEDSA-N 1 2 285.347 0.770 20 30 CCEDLO C#CCN1CC2(CN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739958 848557315 /nfs/dbraw/zinc/55/73/15/848557315.db2.gz PMNAWHQXAALYEE-UHFFFAOYSA-N 1 2 257.293 0.132 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)SC)C1 ZINC001276028649 848895652 /nfs/dbraw/zinc/89/56/52/848895652.db2.gz ZMUGZMQQXBQUHE-NSHDSACASA-N 1 2 272.414 0.867 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639767 849003231 /nfs/dbraw/zinc/00/32/31/849003231.db2.gz QSQFDRHETKEEOO-UXOAXIEHSA-N 1 2 299.378 0.691 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396803 849056495 /nfs/dbraw/zinc/05/64/95/849056495.db2.gz UNELYIKBSJEJLJ-LLVKDONJSA-N 1 2 276.340 0.980 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396803 849056485 /nfs/dbraw/zinc/05/64/85/849056485.db2.gz UNELYIKBSJEJLJ-LLVKDONJSA-N 1 2 276.340 0.980 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001253573018 849504247 /nfs/dbraw/zinc/50/42/47/849504247.db2.gz RCKYZNSBYKTEKQ-VGMNWLOBSA-N 1 2 257.227 0.871 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001253573018 849504248 /nfs/dbraw/zinc/50/42/48/849504248.db2.gz RCKYZNSBYKTEKQ-VGMNWLOBSA-N 1 2 257.227 0.871 20 30 CCEDLO CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001037965642 849613434 /nfs/dbraw/zinc/61/34/34/849613434.db2.gz KMHGMDUDHHFYHG-JSGCOSHPSA-N 1 2 289.383 0.703 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C2CC2)C1=O ZINC001037987670 849622828 /nfs/dbraw/zinc/62/28/28/849622828.db2.gz WMOGIVXSNJQTON-STQMWFEESA-N 1 2 277.368 0.374 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C2CC2)C1=O ZINC001037987670 849622833 /nfs/dbraw/zinc/62/28/33/849622833.db2.gz WMOGIVXSNJQTON-STQMWFEESA-N 1 2 277.368 0.374 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038299655 849841585 /nfs/dbraw/zinc/84/15/85/849841585.db2.gz FFPDTDBBVJEICS-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038299655 849841593 /nfs/dbraw/zinc/84/15/93/849841593.db2.gz FFPDTDBBVJEICS-GFCCVEGCSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038320018 849848839 /nfs/dbraw/zinc/84/88/39/849848839.db2.gz BCRLGWZLTGDVKF-SNVBAGLBSA-N 1 2 277.299 0.667 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038320018 849848844 /nfs/dbraw/zinc/84/88/44/849848844.db2.gz BCRLGWZLTGDVKF-SNVBAGLBSA-N 1 2 277.299 0.667 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322971 849851601 /nfs/dbraw/zinc/85/16/01/849851601.db2.gz DUHQEMYCORSWQU-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001038322971 849851609 /nfs/dbraw/zinc/85/16/09/849851609.db2.gz DUHQEMYCORSWQU-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001038344998 849860988 /nfs/dbraw/zinc/86/09/88/849860988.db2.gz LNLHAJZBHFHIDQ-IUODEOHRSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001038344998 849860994 /nfs/dbraw/zinc/86/09/94/849860994.db2.gz LNLHAJZBHFHIDQ-IUODEOHRSA-N 1 2 297.358 0.337 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001038364185 849863241 /nfs/dbraw/zinc/86/32/41/849863241.db2.gz ROBKTRQOOWJYSH-ZIAGYGMSSA-N 1 2 299.378 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001038364185 849863255 /nfs/dbraw/zinc/86/32/55/849863255.db2.gz ROBKTRQOOWJYSH-ZIAGYGMSSA-N 1 2 299.378 0.269 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038398772 849881312 /nfs/dbraw/zinc/88/13/12/849881312.db2.gz QWWZGHQKBHGGNH-NSHDSACASA-N 1 2 276.340 0.636 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038398772 849881318 /nfs/dbraw/zinc/88/13/18/849881318.db2.gz QWWZGHQKBHGGNH-NSHDSACASA-N 1 2 276.340 0.636 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038417106 849886758 /nfs/dbraw/zinc/88/67/58/849886758.db2.gz KDXCGZPZTRKVMT-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001038417106 849886765 /nfs/dbraw/zinc/88/67/65/849886765.db2.gz KDXCGZPZTRKVMT-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001038434433 849895055 /nfs/dbraw/zinc/89/50/55/849895055.db2.gz YJBUYMCJBMOYRC-LBPRGKRZSA-N 1 2 290.367 0.394 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001038434433 849895064 /nfs/dbraw/zinc/89/50/64/849895064.db2.gz YJBUYMCJBMOYRC-LBPRGKRZSA-N 1 2 290.367 0.394 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001038560190 849943487 /nfs/dbraw/zinc/94/34/87/849943487.db2.gz GLJRDDNGVKKAIW-VIFPVBQESA-N 1 2 251.286 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001038560190 849943496 /nfs/dbraw/zinc/94/34/96/849943496.db2.gz GLJRDDNGVKKAIW-VIFPVBQESA-N 1 2 251.286 0.673 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001038721347 849997062 /nfs/dbraw/zinc/99/70/62/849997062.db2.gz QNAAYDZKVQDRHC-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001038721347 849997065 /nfs/dbraw/zinc/99/70/65/849997065.db2.gz QNAAYDZKVQDRHC-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001038829179 850034040 /nfs/dbraw/zinc/03/40/40/850034040.db2.gz IPQLFBTWJFPYGC-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001038829179 850034044 /nfs/dbraw/zinc/03/40/44/850034044.db2.gz IPQLFBTWJFPYGC-LBPRGKRZSA-N 1 2 298.346 0.780 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038856206 850049724 /nfs/dbraw/zinc/04/97/24/850049724.db2.gz LTTOXPAYDLPWSH-LBPRGKRZSA-N 1 2 275.356 0.516 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001038856206 850049736 /nfs/dbraw/zinc/04/97/36/850049736.db2.gz LTTOXPAYDLPWSH-LBPRGKRZSA-N 1 2 275.356 0.516 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001038857928 850052925 /nfs/dbraw/zinc/05/29/25/850052925.db2.gz AIQHYNQECJAIRJ-NEPJUHHUSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001038857928 850052940 /nfs/dbraw/zinc/05/29/40/850052940.db2.gz AIQHYNQECJAIRJ-NEPJUHHUSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038858637 850054501 /nfs/dbraw/zinc/05/45/01/850054501.db2.gz YIOSJNOICMISJK-ZDUSSCGKSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038858637 850054510 /nfs/dbraw/zinc/05/45/10/850054510.db2.gz YIOSJNOICMISJK-ZDUSSCGKSA-N 1 2 283.335 0.406 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001038967908 850104205 /nfs/dbraw/zinc/10/42/05/850104205.db2.gz ICSGUDKWIVLFMN-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001038967908 850104211 /nfs/dbraw/zinc/10/42/11/850104211.db2.gz ICSGUDKWIVLFMN-LLVKDONJSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001039013902 850121143 /nfs/dbraw/zinc/12/11/43/850121143.db2.gz VWZDVWDYSNKFLK-CQSZACIVSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001039013902 850121145 /nfs/dbraw/zinc/12/11/45/850121145.db2.gz VWZDVWDYSNKFLK-CQSZACIVSA-N 1 2 296.334 0.100 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001039069874 850145772 /nfs/dbraw/zinc/14/57/72/850145772.db2.gz IQMYBZTVRHELME-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001039069874 850145773 /nfs/dbraw/zinc/14/57/73/850145773.db2.gz IQMYBZTVRHELME-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039095583 850154546 /nfs/dbraw/zinc/15/45/46/850154546.db2.gz GYDDZACKXLXHHH-LBPRGKRZSA-N 1 2 275.356 0.434 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC001039095583 850154549 /nfs/dbraw/zinc/15/45/49/850154549.db2.gz GYDDZACKXLXHHH-LBPRGKRZSA-N 1 2 275.356 0.434 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001041375342 850437854 /nfs/dbraw/zinc/43/78/54/850437854.db2.gz MXPWGTVDAIGTBS-IOASZLSFSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001041375342 850437860 /nfs/dbraw/zinc/43/78/60/850437860.db2.gz MXPWGTVDAIGTBS-IOASZLSFSA-N 1 2 299.378 0.961 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001042306448 850612011 /nfs/dbraw/zinc/61/20/11/850612011.db2.gz GUHHISPWLQFYEM-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001042306448 850612016 /nfs/dbraw/zinc/61/20/16/850612016.db2.gz GUHHISPWLQFYEM-QWHCGFSZSA-N 1 2 287.367 0.293 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001042524705 850680624 /nfs/dbraw/zinc/68/06/24/850680624.db2.gz TZECYBTURGQQCK-RYUDHWBXSA-N 1 2 266.341 0.514 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001042602069 850708127 /nfs/dbraw/zinc/70/81/27/850708127.db2.gz JWJBCAYSGGASPE-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001042938703 850783888 /nfs/dbraw/zinc/78/38/88/850783888.db2.gz ULRZUCYCMGIRLL-UHFFFAOYSA-N 1 2 286.339 0.685 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001043045682 850802672 /nfs/dbraw/zinc/80/26/72/850802672.db2.gz HIRBDXNCKKOSMZ-UHFFFAOYSA-N 1 2 276.340 0.329 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043141213 850820775 /nfs/dbraw/zinc/82/07/75/850820775.db2.gz ZFURVZFEZBWTPJ-LBPRGKRZSA-N 1 2 274.368 0.774 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001043380624 850862686 /nfs/dbraw/zinc/86/26/86/850862686.db2.gz NQBYWWWPVJFNPC-LBPRGKRZSA-N 1 2 289.383 0.559 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cncnc2)C1 ZINC001043618541 850912241 /nfs/dbraw/zinc/91/22/41/850912241.db2.gz GMQHPKCSKWJIFR-NSHDSACASA-N 1 2 260.341 0.909 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001043814381 850940454 /nfs/dbraw/zinc/94/04/54/850940454.db2.gz OPSAIAABXXMIHN-NSHDSACASA-N 1 2 252.358 0.866 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC001044103631 851013533 /nfs/dbraw/zinc/01/35/33/851013533.db2.gz VLRDWBNYZDBECB-HNNXBMFYSA-N 1 2 264.369 0.969 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001095970212 851017999 /nfs/dbraw/zinc/01/79/99/851017999.db2.gz ILMSKJYCSIOTDM-RDBSUJKOSA-N 1 2 291.395 0.940 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001095970212 851018006 /nfs/dbraw/zinc/01/80/06/851018006.db2.gz ILMSKJYCSIOTDM-RDBSUJKOSA-N 1 2 291.395 0.940 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001044316229 851076019 /nfs/dbraw/zinc/07/60/19/851076019.db2.gz YGWQREONIIKKHZ-UHFFFAOYSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001044360844 851084163 /nfs/dbraw/zinc/08/41/63/851084163.db2.gz SBWNNNGZIZYQCL-UHFFFAOYSA-N 1 2 286.379 0.927 20 30 CCEDLO CC[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046006470 851346021 /nfs/dbraw/zinc/34/60/21/851346021.db2.gz MERLJJSNFNKKNY-KBPBESRZSA-N 1 2 278.400 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046151116 851398477 /nfs/dbraw/zinc/39/84/77/851398477.db2.gz CUYIJDDHJBAIDU-YPMHNXCESA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046151116 851398487 /nfs/dbraw/zinc/39/84/87/851398487.db2.gz CUYIJDDHJBAIDU-YPMHNXCESA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2N)C1 ZINC001046261421 851443065 /nfs/dbraw/zinc/44/30/65/851443065.db2.gz CWNZYJKUBBCQKT-ZDUSSCGKSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2N)C1 ZINC001046261421 851443077 /nfs/dbraw/zinc/44/30/77/851443077.db2.gz CWNZYJKUBBCQKT-ZDUSSCGKSA-N 1 2 297.790 0.949 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046402580 851487953 /nfs/dbraw/zinc/48/79/53/851487953.db2.gz IORWRMHZXXAIMK-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046402580 851487959 /nfs/dbraw/zinc/48/79/59/851487959.db2.gz IORWRMHZXXAIMK-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046849023 851630513 /nfs/dbraw/zinc/63/05/13/851630513.db2.gz LYQHFJYGQLMCCP-GXTWGEPZSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046849023 851630518 /nfs/dbraw/zinc/63/05/18/851630518.db2.gz LYQHFJYGQLMCCP-GXTWGEPZSA-N 1 2 298.408 0.168 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001047385510 851745526 /nfs/dbraw/zinc/74/55/26/851745526.db2.gz PQNRMQJJLBVISR-UWVGGRQHSA-N 1 2 297.380 0.455 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001047385510 851745528 /nfs/dbraw/zinc/74/55/28/851745528.db2.gz PQNRMQJJLBVISR-UWVGGRQHSA-N 1 2 297.380 0.455 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001047426436 851761280 /nfs/dbraw/zinc/76/12/80/851761280.db2.gz SKTJXXVCWRQUKY-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001047426436 851761284 /nfs/dbraw/zinc/76/12/84/851761284.db2.gz SKTJXXVCWRQUKY-RYUDHWBXSA-N 1 2 293.392 0.510 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2F)C1 ZINC001047577957 851822139 /nfs/dbraw/zinc/82/21/39/851822139.db2.gz HUHHMMWFTNZJGO-STQMWFEESA-N 1 2 291.326 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2F)C1 ZINC001047577957 851822145 /nfs/dbraw/zinc/82/21/45/851822145.db2.gz HUHHMMWFTNZJGO-STQMWFEESA-N 1 2 291.326 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001047604114 851832461 /nfs/dbraw/zinc/83/24/61/851832461.db2.gz CTTARRSBRNSVHS-RYUDHWBXSA-N 1 2 293.754 0.485 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001047604114 851832467 /nfs/dbraw/zinc/83/24/67/851832467.db2.gz CTTARRSBRNSVHS-RYUDHWBXSA-N 1 2 293.754 0.485 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096335870 851938785 /nfs/dbraw/zinc/93/87/85/851938785.db2.gz YWXNFOSNTKCQGV-LBPRGKRZSA-N 1 2 276.340 0.683 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096442874 852111273 /nfs/dbraw/zinc/11/12/73/852111273.db2.gz VTWFECIPPIZSEH-AAEUAGOBSA-N 1 2 288.351 0.518 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835048 852382778 /nfs/dbraw/zinc/38/27/78/852382778.db2.gz NQUKPOVUBONILP-VXGBXAGGSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835048 852382782 /nfs/dbraw/zinc/38/27/82/852382782.db2.gz NQUKPOVUBONILP-VXGBXAGGSA-N 1 2 273.340 0.046 20 30 CCEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049933554 852400254 /nfs/dbraw/zinc/40/02/54/852400254.db2.gz QYPUDCAXJARFIV-QWHCGFSZSA-N 1 2 273.340 0.472 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3n[nH]nc31)C2 ZINC001097738014 852596990 /nfs/dbraw/zinc/59/69/90/852596990.db2.gz XPGMJZSMRYYYPM-WVWOOGAGSA-N 1 2 299.378 0.579 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3n[nH]nc31)C2 ZINC001097738014 852596993 /nfs/dbraw/zinc/59/69/93/852596993.db2.gz XPGMJZSMRYYYPM-WVWOOGAGSA-N 1 2 299.378 0.579 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097764552 852611449 /nfs/dbraw/zinc/61/14/49/852611449.db2.gz LHSAFBNUZLQTCE-MCIONIFRSA-N 1 2 298.346 0.265 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001097764552 852611453 /nfs/dbraw/zinc/61/14/53/852611453.db2.gz LHSAFBNUZLQTCE-MCIONIFRSA-N 1 2 298.346 0.265 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001052869957 852665644 /nfs/dbraw/zinc/66/56/44/852665644.db2.gz OMCLCVBKUXRTPQ-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC1)CCO2 ZINC001053117366 852689373 /nfs/dbraw/zinc/68/93/73/852689373.db2.gz AYTRWXPKPHUNMS-UHFFFAOYSA-N 1 2 250.342 0.886 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 ZINC001053216708 852711268 /nfs/dbraw/zinc/71/12/68/852711268.db2.gz NYWZUUOGXOQTFH-UHFFFAOYSA-N 1 2 288.351 0.822 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053469866 852747450 /nfs/dbraw/zinc/74/74/50/852747450.db2.gz RSHLOWFZADVPMI-KBPBESRZSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1C)O2 ZINC001053580045 852765461 /nfs/dbraw/zinc/76/54/61/852765461.db2.gz AGBZGRCYGYMMJM-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)F)CO2 ZINC001053719136 852787477 /nfs/dbraw/zinc/78/74/77/852787477.db2.gz WHIPRHQPHAUTOF-LLVKDONJSA-N 1 2 268.332 0.717 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C)[nH]1)CO2 ZINC001053759836 852809160 /nfs/dbraw/zinc/80/91/60/852809160.db2.gz OVMOTWMXYQSUJK-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cc[nH]n1)CO2 ZINC001053763914 852812115 /nfs/dbraw/zinc/81/21/15/852812115.db2.gz BUOXJYUYNLMXBY-ZDUSSCGKSA-N 1 2 290.367 0.488 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CO2 ZINC001053778730 852818647 /nfs/dbraw/zinc/81/86/47/852818647.db2.gz GZEAXRANRLZGEX-KGLIPLIRSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)nn3)cc2C1 ZINC001054263673 852900130 /nfs/dbraw/zinc/90/01/30/852900130.db2.gz YUNMZBJVNRQREB-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)nn3)cc2C1 ZINC001054263673 852900132 /nfs/dbraw/zinc/90/01/32/852900132.db2.gz YUNMZBJVNRQREB-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001098006965 853123987 /nfs/dbraw/zinc/12/39/87/853123987.db2.gz QNHBFOUEHYUSQX-JTQLQIEISA-N 1 2 299.338 0.539 20 30 CCEDLO N#Cc1cccnc1N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056687630 853183690 /nfs/dbraw/zinc/18/36/90/853183690.db2.gz KZDYEDXHAAULTR-GFCCVEGCSA-N 1 2 296.334 0.932 20 30 CCEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056687571 853183699 /nfs/dbraw/zinc/18/36/99/853183699.db2.gz IGXHLXUCAMBDBO-SNVBAGLBSA-N 1 2 297.322 0.327 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001050793259 853438097 /nfs/dbraw/zinc/43/80/97/853438097.db2.gz YRUINMRLGHXULW-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001050793259 853438099 /nfs/dbraw/zinc/43/80/99/853438099.db2.gz YRUINMRLGHXULW-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001050800154 853439579 /nfs/dbraw/zinc/43/95/79/853439579.db2.gz RGOWUFPKILYRRG-AWEZNQCLSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001050800154 853439588 /nfs/dbraw/zinc/43/95/88/853439588.db2.gz RGOWUFPKILYRRG-AWEZNQCLSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001050829822 853450691 /nfs/dbraw/zinc/45/06/91/853450691.db2.gz DULCPPSSLDABEV-LBPRGKRZSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001050829822 853450692 /nfs/dbraw/zinc/45/06/92/853450692.db2.gz DULCPPSSLDABEV-LBPRGKRZSA-N 1 2 264.329 0.416 20 30 CCEDLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050880107 853473333 /nfs/dbraw/zinc/47/33/33/853473333.db2.gz MNWOGWHHKJKCRH-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050880107 853473341 /nfs/dbraw/zinc/47/33/41/853473341.db2.gz MNWOGWHHKJKCRH-ZDUSSCGKSA-N 1 2 276.340 0.727 20 30 CCEDLO C#CCN1CCOC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050980287 853500694 /nfs/dbraw/zinc/50/06/94/853500694.db2.gz QKRMEXSSJNAACD-ZDUSSCGKSA-N 1 2 298.346 0.627 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001051087855 853521794 /nfs/dbraw/zinc/52/17/94/853521794.db2.gz VPKDTQCILFVGKX-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001051087855 853521798 /nfs/dbraw/zinc/52/17/98/853521798.db2.gz VPKDTQCILFVGKX-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001051977779 853667477 /nfs/dbraw/zinc/66/74/77/853667477.db2.gz FZDQAFFXPBCTOC-GJZGRUSLSA-N 1 2 291.395 0.017 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001051977780 853668517 /nfs/dbraw/zinc/66/85/17/853668517.db2.gz FZDQAFFXPBCTOC-HUUCEWRRSA-N 1 2 291.395 0.017 20 30 CCEDLO CCC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052079977 853681646 /nfs/dbraw/zinc/68/16/46/853681646.db2.gz SUYOCQURTDMXAZ-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CCC1 ZINC001052065852 853681864 /nfs/dbraw/zinc/68/18/64/853681864.db2.gz OXZKZHKWSVWBSG-CQSZACIVSA-N 1 2 290.411 0.919 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1nc(Br)c[nH]1 ZINC000393847680 854136170 /nfs/dbraw/zinc/13/61/70/854136170.db2.gz BDIYOASCMRRWIR-UHFFFAOYSA-N 1 2 273.134 0.564 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001072544637 854413211 /nfs/dbraw/zinc/41/32/11/854413211.db2.gz RYNJMBGLSLSJDU-LLVKDONJSA-N 1 2 274.324 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001072544637 854413213 /nfs/dbraw/zinc/41/32/13/854413213.db2.gz RYNJMBGLSLSJDU-LLVKDONJSA-N 1 2 274.324 0.869 20 30 CCEDLO Cc1ccnc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552534 854414626 /nfs/dbraw/zinc/41/46/26/854414626.db2.gz QDLKTRHBNZYIIG-GFCCVEGCSA-N 1 2 299.378 0.979 20 30 CCEDLO Cc1ccnc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552534 854414629 /nfs/dbraw/zinc/41/46/29/854414629.db2.gz QDLKTRHBNZYIIG-GFCCVEGCSA-N 1 2 299.378 0.979 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601189 854611023 /nfs/dbraw/zinc/61/10/23/854611023.db2.gz ILOQJJBAFVBJHV-NSHDSACASA-N 1 2 298.774 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001073601189 854611030 /nfs/dbraw/zinc/61/10/30/854611030.db2.gz ILOQJJBAFVBJHV-NSHDSACASA-N 1 2 298.774 0.983 20 30 CCEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001073757520 854639180 /nfs/dbraw/zinc/63/91/80/854639180.db2.gz FQKDOLOFYGSZAB-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001073757520 854639182 /nfs/dbraw/zinc/63/91/82/854639182.db2.gz FQKDOLOFYGSZAB-JTQLQIEISA-N 1 2 282.319 0.556 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001074211706 854696802 /nfs/dbraw/zinc/69/68/02/854696802.db2.gz CXZIABOYRSLXDW-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001074211706 854696805 /nfs/dbraw/zinc/69/68/05/854696805.db2.gz CXZIABOYRSLXDW-ZIAGYGMSSA-N 1 2 288.351 0.822 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001074570245 854749822 /nfs/dbraw/zinc/74/98/22/854749822.db2.gz YMAKBGGGHZEIOL-QXEWZRGKSA-N 1 2 279.369 0.777 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001074718255 854770188 /nfs/dbraw/zinc/77/01/88/854770188.db2.gz DTJVIKXIBUVYFW-XQQFMLRXSA-N 1 2 287.367 0.548 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001099668579 854961302 /nfs/dbraw/zinc/96/13/02/854961302.db2.gz FCYLXXULNQFOEI-KBPBESRZSA-N 1 2 280.368 0.320 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001099668579 854961306 /nfs/dbraw/zinc/96/13/06/854961306.db2.gz FCYLXXULNQFOEI-KBPBESRZSA-N 1 2 280.368 0.320 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCCC)[C@@H](O)C1 ZINC001099731657 854979905 /nfs/dbraw/zinc/97/99/05/854979905.db2.gz AOUZOHIVNZRJHK-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCCC)[C@@H](O)C1 ZINC001099731657 854979908 /nfs/dbraw/zinc/97/99/08/854979908.db2.gz AOUZOHIVNZRJHK-RYUDHWBXSA-N 1 2 290.791 0.717 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCN(C)C(=O)[C@H](C)C#N)[nH+]1 ZINC001101543996 855312250 /nfs/dbraw/zinc/31/22/50/855312250.db2.gz JCURDPXPNJODOY-SECBINFHSA-N 1 2 291.359 0.276 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCN(C)C(=O)[C@@H](C)C#N)[nH+]1 ZINC001101543997 855312319 /nfs/dbraw/zinc/31/23/19/855312319.db2.gz JCURDPXPNJODOY-VIFPVBQESA-N 1 2 291.359 0.276 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCOC)c1nccn12 ZINC001101601622 855323787 /nfs/dbraw/zinc/32/37/87/855323787.db2.gz VRGPKWVHXCZIHA-LBPRGKRZSA-N 1 2 290.367 0.678 20 30 CCEDLO C[C@H](C(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001115900409 855703543 /nfs/dbraw/zinc/70/35/43/855703543.db2.gz CBKQTVQLZWUBFR-LLVKDONJSA-N 1 2 284.323 0.939 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001116674517 855810554 /nfs/dbraw/zinc/81/05/54/855810554.db2.gz AKANKGVBOUSRRQ-SECBINFHSA-N 1 2 250.327 0.571 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC001116850064 855847191 /nfs/dbraw/zinc/84/71/91/855847191.db2.gz FHXUVIONIOPDTN-RWMBFGLXSA-N 1 2 251.330 0.516 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC001116850064 855847195 /nfs/dbraw/zinc/84/71/95/855847195.db2.gz FHXUVIONIOPDTN-RWMBFGLXSA-N 1 2 251.330 0.516 20 30 CCEDLO O=C(NCC#Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC001116990690 855889121 /nfs/dbraw/zinc/88/91/21/855889121.db2.gz JMEMSQQZHTYFSK-UHFFFAOYSA-N 1 2 296.330 0.167 20 30 CCEDLO O=C(C#CC1CC1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001119296627 856618046 /nfs/dbraw/zinc/61/80/46/856618046.db2.gz YQHYENCWYRTQDY-UHFFFAOYSA-N 1 2 299.378 0.501 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001119630715 856793344 /nfs/dbraw/zinc/79/33/44/856793344.db2.gz IIWVNKUEJXBIRD-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001119630715 856793350 /nfs/dbraw/zinc/79/33/50/856793350.db2.gz IIWVNKUEJXBIRD-RYUDHWBXSA-N 1 2 281.356 0.594 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001119980051 856945286 /nfs/dbraw/zinc/94/52/86/856945286.db2.gz TUTWCAHLJGZFLX-NSHDSACASA-N 1 2 298.350 0.600 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001323278227 912240111 /nfs/dbraw/zinc/24/01/11/912240111.db2.gz OJNKTVBLZUZMPD-FRRDWIJNSA-N 1 2 250.342 0.483 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001323278227 912240129 /nfs/dbraw/zinc/24/01/29/912240129.db2.gz OJNKTVBLZUZMPD-FRRDWIJNSA-N 1 2 250.342 0.483 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CCc2ccon2)C1 ZINC001323955445 912597881 /nfs/dbraw/zinc/59/78/81/912597881.db2.gz SZFXANPYEFWDDE-UHFFFAOYSA-N 1 2 293.367 0.952 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C(=O)NC)CCC2)C1 ZINC001324018106 912632404 /nfs/dbraw/zinc/63/24/04/912632404.db2.gz OJJXRVOEJAGQBZ-UHFFFAOYSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCOCCOC)C1 ZINC001324030077 912634318 /nfs/dbraw/zinc/63/43/18/912634318.db2.gz UUMJQCLXNIWQFH-UHFFFAOYSA-N 1 2 270.373 0.758 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H](CNCC#N)C1CCCC1 ZINC001324509638 912881520 /nfs/dbraw/zinc/88/15/20/912881520.db2.gz LSKJGAAFCZSTFC-CQSZACIVSA-N 1 2 289.383 0.751 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001325206704 913279679 /nfs/dbraw/zinc/27/96/79/913279679.db2.gz XRISDCOKBJUELO-GFCCVEGCSA-N 1 2 264.329 0.870 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001325262333 913303312 /nfs/dbraw/zinc/30/33/12/913303312.db2.gz AKGLDNUBGJTVEE-ZDUSSCGKSA-N 1 2 264.369 0.775 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001325273140 913311855 /nfs/dbraw/zinc/31/18/55/913311855.db2.gz KQEULQHFAURTQQ-GXTWGEPZSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325822202 913589518 /nfs/dbraw/zinc/58/95/18/913589518.db2.gz XTXFFSQEUOPHAH-HIFRSBDPSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001325822202 913589529 /nfs/dbraw/zinc/58/95/29/913589529.db2.gz XTXFFSQEUOPHAH-HIFRSBDPSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325822202 913589553 /nfs/dbraw/zinc/58/95/53/913589553.db2.gz XTXFFSQEUOPHAH-HIFRSBDPSA-N 1 2 281.400 0.210 20 30 CCEDLO C=CCN1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325822202 913589560 /nfs/dbraw/zinc/58/95/60/913589560.db2.gz XTXFFSQEUOPHAH-HIFRSBDPSA-N 1 2 281.400 0.210 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001481109082 892174504 /nfs/dbraw/zinc/17/45/04/892174504.db2.gz KQCFCOSQGKHISI-NSHDSACASA-N 1 2 294.330 0.250 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001481109082 892174512 /nfs/dbraw/zinc/17/45/12/892174512.db2.gz KQCFCOSQGKHISI-NSHDSACASA-N 1 2 294.330 0.250 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001481225479 892398881 /nfs/dbraw/zinc/39/88/81/892398881.db2.gz KOXHGMNOACCJRY-GXFFZTMASA-N 1 2 298.412 0.974 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528764 892776838 /nfs/dbraw/zinc/77/68/38/892776838.db2.gz DZIJZCYYINHUCF-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528764 892776848 /nfs/dbraw/zinc/77/68/48/892776848.db2.gz DZIJZCYYINHUCF-LLVKDONJSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001481555301 892822161 /nfs/dbraw/zinc/82/21/61/892822161.db2.gz IAIBRKKTGKLXRH-CJNGLKHVSA-N 1 2 296.411 0.929 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C/C=C(/C)C=C)C1 ZINC001481640861 892950719 /nfs/dbraw/zinc/95/07/19/892950719.db2.gz MGGDTZSASNAAIM-MLPAPPSSSA-N 1 2 289.379 0.306 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001481667523 892988183 /nfs/dbraw/zinc/98/81/83/892988183.db2.gz GNFCFLSRVBPGRO-RWMBFGLXSA-N 1 2 277.368 0.516 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001481667523 892988194 /nfs/dbraw/zinc/98/81/94/892988194.db2.gz GNFCFLSRVBPGRO-RWMBFGLXSA-N 1 2 277.368 0.516 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001481672448 892989527 /nfs/dbraw/zinc/98/95/27/892989527.db2.gz RPWVAZCEKGROPU-RDBSUJKOSA-N 1 2 291.395 0.552 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001481672448 892989541 /nfs/dbraw/zinc/98/95/41/892989541.db2.gz RPWVAZCEKGROPU-RDBSUJKOSA-N 1 2 291.395 0.552 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001481682804 892994303 /nfs/dbraw/zinc/99/43/03/892994303.db2.gz KZPWMZMWHUJZTE-KBPBESRZSA-N 1 2 287.363 0.872 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001481682804 892994312 /nfs/dbraw/zinc/99/43/12/892994312.db2.gz KZPWMZMWHUJZTE-KBPBESRZSA-N 1 2 287.363 0.872 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001481698344 893018684 /nfs/dbraw/zinc/01/86/84/893018684.db2.gz CWOVXSGDMDQWQA-LLVKDONJSA-N 1 2 293.396 0.367 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001481698344 893018702 /nfs/dbraw/zinc/01/87/02/893018702.db2.gz CWOVXSGDMDQWQA-LLVKDONJSA-N 1 2 293.396 0.367 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNCC#N)CCCC1 ZINC001481911853 893256442 /nfs/dbraw/zinc/25/64/42/893256442.db2.gz MLTFLLFMTXWGKV-UHFFFAOYSA-N 1 2 275.356 0.803 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)OC)C1 ZINC001482184701 893475325 /nfs/dbraw/zinc/47/53/25/893475325.db2.gz NGMBKYJWOZDNLU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)OC)C1 ZINC001482184701 893475335 /nfs/dbraw/zinc/47/53/35/893475335.db2.gz NGMBKYJWOZDNLU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001482186514 893477746 /nfs/dbraw/zinc/47/77/46/893477746.db2.gz ZQFXNSBOLBBETK-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001482186514 893477757 /nfs/dbraw/zinc/47/77/57/893477757.db2.gz ZQFXNSBOLBBETK-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCN1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001482201501 893530998 /nfs/dbraw/zinc/53/09/98/893530998.db2.gz YBSHEXJVILGKNE-KGLIPLIRSA-N 1 2 290.367 0.284 20 30 CCEDLO CC(C)C#CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001482244041 893647011 /nfs/dbraw/zinc/64/70/11/893647011.db2.gz MLCXHZSHJIVIPM-UHFFFAOYSA-N 1 2 277.368 0.056 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001409163479 894361394 /nfs/dbraw/zinc/36/13/94/894361394.db2.gz HLVNHHYIGUDMLS-LLVKDONJSA-N 1 2 289.339 0.007 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001482639419 894443267 /nfs/dbraw/zinc/44/32/67/894443267.db2.gz HLWBWJFZORUDCV-UHFFFAOYSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001482639419 894443279 /nfs/dbraw/zinc/44/32/79/894443279.db2.gz HLWBWJFZORUDCV-UHFFFAOYSA-N 1 2 288.413 0.530 20 30 CCEDLO N#Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccon2)c[nH]1 ZINC001482998410 894785419 /nfs/dbraw/zinc/78/54/19/894785419.db2.gz ARZZGCRSRCQUJL-UPHRSURJSA-N 1 2 285.307 0.950 20 30 CCEDLO CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#CCOC)[nH]n1 ZINC001483629329 895749759 /nfs/dbraw/zinc/74/97/59/895749759.db2.gz KEQHFSUWRMOORG-CYBMUJFWSA-N 1 2 290.367 0.426 20 30 CCEDLO CCc1cc(C(=O)NC[C@H]2CC[N@H+]2CC#CCOC)[nH]n1 ZINC001483629329 895749775 /nfs/dbraw/zinc/74/97/75/895749775.db2.gz KEQHFSUWRMOORG-CYBMUJFWSA-N 1 2 290.367 0.426 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001483640930 895779091 /nfs/dbraw/zinc/77/90/91/895779091.db2.gz CQLYCSNOBMKWED-OLZOCXBDSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001483640930 895779109 /nfs/dbraw/zinc/77/91/09/895779109.db2.gz CQLYCSNOBMKWED-OLZOCXBDSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1c(C)nn(C)c1C ZINC001483651348 895799265 /nfs/dbraw/zinc/79/92/65/895799265.db2.gz PQPUSCNXXVEQDN-CYBMUJFWSA-N 1 2 290.367 0.239 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1c(C)nn(C)c1C ZINC001483651348 895799285 /nfs/dbraw/zinc/79/92/85/895799285.db2.gz PQPUSCNXXVEQDN-CYBMUJFWSA-N 1 2 290.367 0.239 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1nnc(C)s1 ZINC001483664923 895815562 /nfs/dbraw/zinc/81/55/62/895815562.db2.gz IDBBYAXNIAXZEW-LLVKDONJSA-N 1 2 294.380 0.187 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1nnc(C)s1 ZINC001483664923 895815574 /nfs/dbraw/zinc/81/55/74/895815574.db2.gz IDBBYAXNIAXZEW-LLVKDONJSA-N 1 2 294.380 0.187 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1ncc2cc(C)cnc21 ZINC001483665264 895821089 /nfs/dbraw/zinc/82/10/89/895821089.db2.gz ZRZDXMULVCTXLJ-AWEZNQCLSA-N 1 2 297.362 0.563 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ncc2cc(C)cnc21 ZINC001483665264 895821098 /nfs/dbraw/zinc/82/10/98/895821098.db2.gz ZRZDXMULVCTXLJ-AWEZNQCLSA-N 1 2 297.362 0.563 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](CC(=C)C)NC(C)=O)C1 ZINC001483881683 896104585 /nfs/dbraw/zinc/10/45/85/896104585.db2.gz PDYOKNASKSRPQC-AWEZNQCLSA-N 1 2 279.384 0.786 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCOCC)C1 ZINC001484262984 896290514 /nfs/dbraw/zinc/29/05/14/896290514.db2.gz LZABOTCZNZBZJL-UHFFFAOYSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001484588020 896481740 /nfs/dbraw/zinc/48/17/40/896481740.db2.gz BBPUSQNCODNOQY-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001484588020 896481748 /nfs/dbraw/zinc/48/17/48/896481748.db2.gz BBPUSQNCODNOQY-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001485404347 897038408 /nfs/dbraw/zinc/03/84/08/897038408.db2.gz WCEVPTLOUNAXJG-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)c2ccco2)C1 ZINC001485416788 897043528 /nfs/dbraw/zinc/04/35/28/897043528.db2.gz QSCGBAOWCCYVSI-CYBMUJFWSA-N 1 2 290.363 0.959 20 30 CCEDLO C=C1CCC(C(=O)NC2(CCO)C[NH+](CCOC)C2)CC1 ZINC001485415280 897044746 /nfs/dbraw/zinc/04/47/46/897044746.db2.gz MZEHMDNIELKHMW-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO CCCC[C@H](CNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001485468921 897061190 /nfs/dbraw/zinc/06/11/90/897061190.db2.gz BNTIZNFNBZJUKB-GFCCVEGCSA-N 1 2 277.372 0.751 20 30 CCEDLO C[C@H](NC(=O)C1CCCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485485039 897088123 /nfs/dbraw/zinc/08/81/23/897088123.db2.gz CUQOGUFUIXIVEQ-NSHDSACASA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001485763761 897229006 /nfs/dbraw/zinc/22/90/06/897229006.db2.gz FRZVXVVDGTUBOE-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(OC)no2)C1 ZINC001107886442 897437418 /nfs/dbraw/zinc/43/74/18/897437418.db2.gz IOPGTJYQLXZCKA-CQSZACIVSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(OC)no2)C1 ZINC001107886442 897437424 /nfs/dbraw/zinc/43/74/24/897437424.db2.gz IOPGTJYQLXZCKA-CQSZACIVSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(OC)no2)C1 ZINC001107886441 897437770 /nfs/dbraw/zinc/43/77/70/897437770.db2.gz IOPGTJYQLXZCKA-AWEZNQCLSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(OC)no2)C1 ZINC001107886441 897437776 /nfs/dbraw/zinc/43/77/76/897437776.db2.gz IOPGTJYQLXZCKA-AWEZNQCLSA-N 1 2 295.339 0.690 20 30 CCEDLO Cc1cc(NC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001107900679 897466703 /nfs/dbraw/zinc/46/67/03/897466703.db2.gz ZCEAYIVGJAZUPD-LLVKDONJSA-N 1 2 298.350 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccnn1C ZINC001032409195 897482393 /nfs/dbraw/zinc/48/23/93/897482393.db2.gz FOSNKJAXYUAQLY-AVGNSLFASA-N 1 2 272.352 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccnn1C ZINC001032409195 897482400 /nfs/dbraw/zinc/48/24/00/897482400.db2.gz FOSNKJAXYUAQLY-AVGNSLFASA-N 1 2 272.352 0.442 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001077777463 897485659 /nfs/dbraw/zinc/48/56/59/897485659.db2.gz MVUDMGFPNGJRMJ-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001077777463 897485663 /nfs/dbraw/zinc/48/56/63/897485663.db2.gz MVUDMGFPNGJRMJ-VXGBXAGGSA-N 1 2 279.340 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001077781471 897493389 /nfs/dbraw/zinc/49/33/89/897493389.db2.gz UIELCICACHCVKV-NXEZZACHSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001077781471 897493396 /nfs/dbraw/zinc/49/33/96/897493396.db2.gz UIELCICACHCVKV-NXEZZACHSA-N 1 2 284.768 0.810 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001107918192 897500003 /nfs/dbraw/zinc/50/00/03/897500003.db2.gz GQDGCEJMRFTMMV-CQSZACIVSA-N 1 2 294.355 0.314 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001107918192 897500011 /nfs/dbraw/zinc/50/00/11/897500011.db2.gz GQDGCEJMRFTMMV-CQSZACIVSA-N 1 2 294.355 0.314 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccnn1C ZINC001032429398 897550247 /nfs/dbraw/zinc/55/02/47/897550247.db2.gz RMCKHNXRMHJXOA-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccnn1C ZINC001032429398 897550252 /nfs/dbraw/zinc/55/02/52/897550252.db2.gz RMCKHNXRMHJXOA-KBPBESRZSA-N 1 2 272.352 0.271 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OC)C1 ZINC001032464136 897603937 /nfs/dbraw/zinc/60/39/37/897603937.db2.gz VYTYKKYYFPKNCJ-QPPOZKHWSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OC)C1 ZINC001032464136 897603947 /nfs/dbraw/zinc/60/39/47/897603947.db2.gz VYTYKKYYFPKNCJ-QPPOZKHWSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CC ZINC001032497619 897655520 /nfs/dbraw/zinc/65/55/20/897655520.db2.gz OLHXHCDHYLTADZ-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CC ZINC001032497619 897655522 /nfs/dbraw/zinc/65/55/22/897655522.db2.gz OLHXHCDHYLTADZ-STQMWFEESA-N 1 2 286.379 0.905 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001038522102 897675602 /nfs/dbraw/zinc/67/56/02/897675602.db2.gz QDERNTRFLOKNBT-OLZOCXBDSA-N 1 2 287.367 0.054 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001038522102 897675610 /nfs/dbraw/zinc/67/56/10/897675610.db2.gz QDERNTRFLOKNBT-OLZOCXBDSA-N 1 2 287.367 0.054 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(=O)[nH]1 ZINC001032576461 897768547 /nfs/dbraw/zinc/76/85/47/897768547.db2.gz BXGSILUONXANQT-UWVGGRQHSA-N 1 2 277.349 0.771 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(=O)[nH]1 ZINC001032576461 897768550 /nfs/dbraw/zinc/76/85/50/897768550.db2.gz BXGSILUONXANQT-UWVGGRQHSA-N 1 2 277.349 0.771 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)n1C ZINC001032588601 897782114 /nfs/dbraw/zinc/78/21/14/897782114.db2.gz JSECHXLALUCYSM-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)n1C ZINC001032588601 897782128 /nfs/dbraw/zinc/78/21/28/897782128.db2.gz JSECHXLALUCYSM-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)c1 ZINC001032617048 897830902 /nfs/dbraw/zinc/83/09/02/897830902.db2.gz JCLHYJQJXMYFHM-HOTGVXAUSA-N 1 2 279.343 0.985 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)c1 ZINC001032617048 897830907 /nfs/dbraw/zinc/83/09/07/897830907.db2.gz JCLHYJQJXMYFHM-HOTGVXAUSA-N 1 2 279.343 0.985 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001032620333 897837828 /nfs/dbraw/zinc/83/78/28/897837828.db2.gz BPEREGVMFLCUPU-RWMBFGLXSA-N 1 2 284.363 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001032620333 897837830 /nfs/dbraw/zinc/83/78/30/897837830.db2.gz BPEREGVMFLCUPU-RWMBFGLXSA-N 1 2 284.363 0.748 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001032641608 897885781 /nfs/dbraw/zinc/88/57/81/897885781.db2.gz ZWZHHUSCEZJRGJ-YHUYYLMFSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001032641608 897885792 /nfs/dbraw/zinc/88/57/92/897885792.db2.gz ZWZHHUSCEZJRGJ-YHUYYLMFSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnnc1 ZINC001032646158 897897704 /nfs/dbraw/zinc/89/77/04/897897704.db2.gz ANRVMRVYAQAFRY-STQMWFEESA-N 1 2 256.309 0.399 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnnc1 ZINC001032646158 897897716 /nfs/dbraw/zinc/89/77/16/897897716.db2.gz ANRVMRVYAQAFRY-STQMWFEESA-N 1 2 256.309 0.399 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001032670661 897913404 /nfs/dbraw/zinc/91/34/04/897913404.db2.gz JGVQFWVRATVTBH-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001032670661 897913421 /nfs/dbraw/zinc/91/34/21/897913421.db2.gz JGVQFWVRATVTBH-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CCCC ZINC001272859465 898085596 /nfs/dbraw/zinc/08/55/96/898085596.db2.gz RBPDWPWTHGNTQH-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CCCC ZINC001272859465 898085603 /nfs/dbraw/zinc/08/56/03/898085603.db2.gz RBPDWPWTHGNTQH-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](CNCC#N)C1CC1 ZINC001485836246 898140527 /nfs/dbraw/zinc/14/05/27/898140527.db2.gz XKTUQFHTPAJLJM-ZDUSSCGKSA-N 1 2 275.356 0.611 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001032780199 898175099 /nfs/dbraw/zinc/17/50/99/898175099.db2.gz XKEHKOHNNUOXOT-STQMWFEESA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001032780199 898175113 /nfs/dbraw/zinc/17/51/13/898175113.db2.gz XKEHKOHNNUOXOT-STQMWFEESA-N 1 2 284.363 0.680 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001078113646 898247613 /nfs/dbraw/zinc/24/76/13/898247613.db2.gz XRJOEZQKLXRUAL-HUUCEWRRSA-N 1 2 272.348 0.657 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001078113646 898247628 /nfs/dbraw/zinc/24/76/28/898247628.db2.gz XRJOEZQKLXRUAL-HUUCEWRRSA-N 1 2 272.348 0.657 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C2CC2)nn1C ZINC001032794767 898312026 /nfs/dbraw/zinc/31/20/26/898312026.db2.gz QOYAWOYENSPWBP-STQMWFEESA-N 1 2 299.378 0.153 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C2CC2)nn1C ZINC001032794767 898312043 /nfs/dbraw/zinc/31/20/43/898312043.db2.gz QOYAWOYENSPWBP-STQMWFEESA-N 1 2 299.378 0.153 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001078279981 898326487 /nfs/dbraw/zinc/32/64/87/898326487.db2.gz JFKSQGRCUGXMKZ-CHWSQXEVSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001078279981 898326500 /nfs/dbraw/zinc/32/65/00/898326500.db2.gz JFKSQGRCUGXMKZ-CHWSQXEVSA-N 1 2 276.311 0.542 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CCCF)CCC[N@@H+]1CC(=O)NCC#N ZINC001486178376 898699059 /nfs/dbraw/zinc/69/90/59/898699059.db2.gz CPYUHZVXNZQHNL-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@H]1[C@H](NC(=O)CCCF)CCC[N@H+]1CC(=O)NCC#N ZINC001486178376 898699067 /nfs/dbraw/zinc/69/90/67/898699067.db2.gz CPYUHZVXNZQHNL-NWDGAFQWSA-N 1 2 298.362 0.345 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNCC#N)C1 ZINC001486215817 898717523 /nfs/dbraw/zinc/71/75/23/898717523.db2.gz LNTXBAJOANODHS-NWDGAFQWSA-N 1 2 275.356 0.361 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1conc1C ZINC001486427092 898862589 /nfs/dbraw/zinc/86/25/89/898862589.db2.gz IXTOWAJQOFHOJF-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1conc1C ZINC001486427092 898862607 /nfs/dbraw/zinc/86/26/07/898862607.db2.gz IXTOWAJQOFHOJF-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC001494315840 899069231 /nfs/dbraw/zinc/06/92/31/899069231.db2.gz NBHZFNNAJYSASG-AWEZNQCLSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC001494315840 899069245 /nfs/dbraw/zinc/06/92/45/899069245.db2.gz NBHZFNNAJYSASG-AWEZNQCLSA-N 1 2 293.411 0.895 20 30 CCEDLO C=CCCC(=O)N(C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001486972932 899090266 /nfs/dbraw/zinc/09/02/66/899090266.db2.gz SDMFCVDCJICQST-LLVKDONJSA-N 1 2 278.356 0.882 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001410411144 899393056 /nfs/dbraw/zinc/39/30/56/899393056.db2.gz LBCVCUGPKYFENA-MNOVXSKESA-N 1 2 299.334 0.728 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001410921699 899631257 /nfs/dbraw/zinc/63/12/57/899631257.db2.gz OWMVIUFTZWLQME-SNVBAGLBSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(COC)no2)CC1 ZINC001327168419 914404759 /nfs/dbraw/zinc/40/47/59/914404759.db2.gz RGBZYPGMHIXKJO-UHFFFAOYSA-N 1 2 292.339 0.177 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001196775728 900054565 /nfs/dbraw/zinc/05/45/65/900054565.db2.gz WHFPBILLQZOVMT-MJBXVCDLSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001196775728 900054578 /nfs/dbraw/zinc/05/45/78/900054578.db2.gz WHFPBILLQZOVMT-MJBXVCDLSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CCC1 ZINC001488645532 900324925 /nfs/dbraw/zinc/32/49/25/900324925.db2.gz RKOINCIQXDZQSP-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CCC1 ZINC001488645532 900324933 /nfs/dbraw/zinc/32/49/33/900324933.db2.gz RKOINCIQXDZQSP-ZIAGYGMSSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](C)OC)C2 ZINC001489334075 900468690 /nfs/dbraw/zinc/46/86/90/900468690.db2.gz HNMFTEIEVGINGI-JTQLQIEISA-N 1 2 293.392 0.786 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001490448863 900624682 /nfs/dbraw/zinc/62/46/82/900624682.db2.gz FQDXLCHFMQWVQK-LLVKDONJSA-N 1 2 253.346 0.409 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001490448863 900624689 /nfs/dbraw/zinc/62/46/89/900624689.db2.gz FQDXLCHFMQWVQK-LLVKDONJSA-N 1 2 253.346 0.409 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCOC)C1 ZINC001490428440 900628659 /nfs/dbraw/zinc/62/86/59/900628659.db2.gz XPYYAXXSEUDILQ-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCOC)C1 ZINC001490428440 900628665 /nfs/dbraw/zinc/62/86/65/900628665.db2.gz XPYYAXXSEUDILQ-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001490435170 900631004 /nfs/dbraw/zinc/63/10/04/900631004.db2.gz JOSPNMHSDHXFSL-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001490435170 900631009 /nfs/dbraw/zinc/63/10/09/900631009.db2.gz JOSPNMHSDHXFSL-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC(F)(F)F)CC1 ZINC001490484976 900636995 /nfs/dbraw/zinc/63/69/95/900636995.db2.gz NDHFNFHASMHWPL-UHFFFAOYSA-N 1 2 278.278 0.196 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C/C=C(/C)C=C)CC1 ZINC001490499640 900640216 /nfs/dbraw/zinc/64/02/16/900640216.db2.gz DLJMITJJFUQLMB-UUASQNMZSA-N 1 2 275.396 0.876 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)CC ZINC001490786760 900726336 /nfs/dbraw/zinc/72/63/36/900726336.db2.gz VUVKJSJEWZVJJE-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)CC ZINC001490786760 900726344 /nfs/dbraw/zinc/72/63/44/900726344.db2.gz VUVKJSJEWZVJJE-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001319452758 900884559 /nfs/dbraw/zinc/88/45/59/900884559.db2.gz DDMUDVFSQRVQMF-MNOVXSKESA-N 1 2 294.355 0.353 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001280676825 900911169 /nfs/dbraw/zinc/91/11/69/900911169.db2.gz COXQFTWGMZMSJX-LSDHHAIUSA-N 1 2 293.411 0.121 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cnc(C#N)c(C#N)n2)[C@@H](C)CO1 ZINC001412903328 902346037 /nfs/dbraw/zinc/34/60/37/902346037.db2.gz XAPLKHMDMLFBPG-QWRGUYRKSA-N 1 2 286.339 0.741 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cnc(C#N)c(C#N)n2)[C@@H](C)CO1 ZINC001412903328 902346051 /nfs/dbraw/zinc/34/60/51/902346051.db2.gz XAPLKHMDMLFBPG-QWRGUYRKSA-N 1 2 286.339 0.741 20 30 CCEDLO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001491019493 903293354 /nfs/dbraw/zinc/29/33/54/903293354.db2.gz ZZNWFCPXIZRNKO-KXUCPTDWSA-N 1 2 296.264 0.773 20 30 CCEDLO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001491019493 903293367 /nfs/dbraw/zinc/29/33/67/903293367.db2.gz ZZNWFCPXIZRNKO-KXUCPTDWSA-N 1 2 296.264 0.773 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001495691282 903631125 /nfs/dbraw/zinc/63/11/25/903631125.db2.gz AFKRORXSVAUSQY-VXGBXAGGSA-N 1 2 275.356 0.311 20 30 CCEDLO Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001398692993 914789230 /nfs/dbraw/zinc/78/92/30/914789230.db2.gz SGXVRFHVRPZDNY-CMPLNLGQSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001398692993 914789242 /nfs/dbraw/zinc/78/92/42/914789242.db2.gz SGXVRFHVRPZDNY-CMPLNLGQSA-N 1 2 291.355 0.866 20 30 CCEDLO C=CCOCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)OC)C2)C1 ZINC001280932794 904178258 /nfs/dbraw/zinc/17/82/58/904178258.db2.gz AJWIUPBNZFWOQR-QWHCGFSZSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282100871 904411458 /nfs/dbraw/zinc/41/14/58/904411458.db2.gz YZEFWCULZHMMPS-NXEZZACHSA-N 1 2 266.349 0.159 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)c2ccc[nH]2)C1 ZINC001282505355 904494775 /nfs/dbraw/zinc/49/47/75/904494775.db2.gz JCJAMBVTXAXIGU-UHFFFAOYSA-N 1 2 293.367 0.384 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001378112791 905427571 /nfs/dbraw/zinc/42/75/71/905427571.db2.gz GXIQMQTVLUFRPE-NEPJUHHUSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001378112791 905427576 /nfs/dbraw/zinc/42/75/76/905427576.db2.gz GXIQMQTVLUFRPE-NEPJUHHUSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)C2CC2)C1 ZINC001378487430 905637682 /nfs/dbraw/zinc/63/76/82/905637682.db2.gz IYUVOIZENIMQBY-JTQLQIEISA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(C)CCC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001292827731 906347713 /nfs/dbraw/zinc/34/77/13/906347713.db2.gz BRPQWUZVUOGNBZ-UHFFFAOYSA-N 1 2 278.356 0.931 20 30 CCEDLO C=C(C)CCC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001292827731 906347729 /nfs/dbraw/zinc/34/77/29/906347729.db2.gz BRPQWUZVUOGNBZ-UHFFFAOYSA-N 1 2 278.356 0.931 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001296253158 906885848 /nfs/dbraw/zinc/88/58/48/906885848.db2.gz JBESBACDSKVUTM-NEPJUHHUSA-N 1 2 292.383 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001381592195 907312469 /nfs/dbraw/zinc/31/24/69/907312469.db2.gz VKHNGIABEWICMR-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001381592195 907312483 /nfs/dbraw/zinc/31/24/83/907312483.db2.gz VKHNGIABEWICMR-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]Cc1ccccc1C#N ZINC001491634863 907474459 /nfs/dbraw/zinc/47/44/59/907474459.db2.gz JCTGTQLQSCSTAZ-LLVKDONJSA-N 1 2 298.350 0.513 20 30 CCEDLO C[N@H+](CCNC(=O)C1(C)CCCC1)CC(=O)NCC#N ZINC001492363087 907875442 /nfs/dbraw/zinc/87/54/42/907875442.db2.gz HHABRIPNVKNNMY-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C[N@@H+](CCNC(=O)C1(C)CCCC1)CC(=O)NCC#N ZINC001492363087 907875456 /nfs/dbraw/zinc/87/54/56/907875456.db2.gz HHABRIPNVKNNMY-UHFFFAOYSA-N 1 2 280.372 0.254 20 30 CCEDLO C[C@H](Nc1cccnc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC001338084274 921364245 /nfs/dbraw/zinc/36/42/45/921364245.db2.gz MFIMEQYYPBHJAN-FZMZJTMJSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@H](Nc1cccnc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC001338084274 921364258 /nfs/dbraw/zinc/36/42/58/921364258.db2.gz MFIMEQYYPBHJAN-FZMZJTMJSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001384972449 908325395 /nfs/dbraw/zinc/32/53/95/908325395.db2.gz TWKNVSKLCDXTMA-SDDRHHMPSA-N 1 2 289.339 0.054 20 30 CCEDLO C#CCC1(NS(=O)(=O)N2CC[NH+](C)CC2)CCC1 ZINC001309885476 908477216 /nfs/dbraw/zinc/47/72/16/908477216.db2.gz HMXIUNFGYSWCRT-UHFFFAOYSA-N 1 2 271.386 0.014 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001386418869 908727555 /nfs/dbraw/zinc/72/75/55/908727555.db2.gz QQKGKSHXCIBDNC-RKDXNWHRSA-N 1 2 277.328 0.041 20 30 CCEDLO CC1(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001316992691 908907231 /nfs/dbraw/zinc/90/72/31/908907231.db2.gz SFXKNRADOKPPQJ-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001316992691 908907239 /nfs/dbraw/zinc/90/72/39/908907239.db2.gz SFXKNRADOKPPQJ-LBPRGKRZSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNCCc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001317377837 909161228 /nfs/dbraw/zinc/16/12/28/909161228.db2.gz XMHLMJYWUCRZFD-UHFFFAOYSA-N 1 2 297.362 0.855 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)/C=C(/C)CC ZINC001317444019 909207106 /nfs/dbraw/zinc/20/71/06/909207106.db2.gz OEWBEWMEUODKFF-BENRWUELSA-N 1 2 265.357 0.140 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)/C=C(/C)CC ZINC001317444019 909207119 /nfs/dbraw/zinc/20/71/19/909207119.db2.gz OEWBEWMEUODKFF-BENRWUELSA-N 1 2 265.357 0.140 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493532 909260889 /nfs/dbraw/zinc/26/08/89/909260889.db2.gz AWTZSQGOHNGSLU-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493532 909260896 /nfs/dbraw/zinc/26/08/96/909260896.db2.gz AWTZSQGOHNGSLU-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001317524451 909292468 /nfs/dbraw/zinc/29/24/68/909292468.db2.gz XIHHRQHKFPYGEY-ZJUUUORDSA-N 1 2 263.301 0.167 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001317524451 909292483 /nfs/dbraw/zinc/29/24/83/909292483.db2.gz XIHHRQHKFPYGEY-ZJUUUORDSA-N 1 2 263.301 0.167 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)CC(C)(C)O)CC1 ZINC001317817018 909509363 /nfs/dbraw/zinc/50/93/63/909509363.db2.gz SFGGYXIGUDSNFT-UHFFFAOYSA-N 1 2 283.416 0.409 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC001388796854 909593222 /nfs/dbraw/zinc/59/32/22/909593222.db2.gz KLHQUZNWTHOESY-FOGDFJRCSA-N 1 2 276.344 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC001388796854 909593237 /nfs/dbraw/zinc/59/32/37/909593237.db2.gz KLHQUZNWTHOESY-FOGDFJRCSA-N 1 2 276.344 0.054 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001318038941 909594150 /nfs/dbraw/zinc/59/41/50/909594150.db2.gz YBVXOQAAQDRNLU-UHFFFAOYSA-N 1 2 291.351 0.002 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](OCC)C2CCOCC2)C1 ZINC001318047635 909596870 /nfs/dbraw/zinc/59/68/70/909596870.db2.gz LYUXHFVEWQUXQG-OAHLLOKOSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001318101398 909620124 /nfs/dbraw/zinc/62/01/24/909620124.db2.gz NJJHFCDCCWHCFR-AWEZNQCLSA-N 1 2 291.395 0.693 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001318210159 909665942 /nfs/dbraw/zinc/66/59/42/909665942.db2.gz VUYVUOQFSDMQTG-IHRRRGAJSA-N 1 2 291.395 0.729 20 30 CCEDLO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001318210159 909665945 /nfs/dbraw/zinc/66/59/45/909665945.db2.gz VUYVUOQFSDMQTG-IHRRRGAJSA-N 1 2 291.395 0.729 20 30 CCEDLO CCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318393250 909739962 /nfs/dbraw/zinc/73/99/62/909739962.db2.gz JCUIDWJFGRJXFY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318393250 909739972 /nfs/dbraw/zinc/73/99/72/909739972.db2.gz JCUIDWJFGRJXFY-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001319381903 910126069 /nfs/dbraw/zinc/12/60/69/910126069.db2.gz VTIUJLXGHIPZHK-PWSUYJOCSA-N 1 2 260.297 0.196 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC3CCC3)n2C)CC1 ZINC001338717587 921553152 /nfs/dbraw/zinc/55/31/52/921553152.db2.gz ASJVQPAOVVQKLG-UHFFFAOYSA-N 1 2 289.383 0.639 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC001320032717 910423376 /nfs/dbraw/zinc/42/33/76/910423376.db2.gz ZLMHDFUCRXOERK-SNVBAGLBSA-N 1 2 266.301 0.299 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC001320032717 910423388 /nfs/dbraw/zinc/42/33/88/910423388.db2.gz ZLMHDFUCRXOERK-SNVBAGLBSA-N 1 2 266.301 0.299 20 30 CCEDLO N#CCCCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001320579409 910751538 /nfs/dbraw/zinc/75/15/38/910751538.db2.gz PKKPJFBINMRVJP-NSHDSACASA-N 1 2 282.369 0.811 20 30 CCEDLO C#CC[NH+]1CCC(c2nc(C[S@](C)=O)no2)CC1 ZINC001320963443 910964888 /nfs/dbraw/zinc/96/48/88/910964888.db2.gz UGZBWDUVTNUVOJ-SFHVURJKSA-N 1 2 267.354 0.761 20 30 CCEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC001321100085 911084187 /nfs/dbraw/zinc/08/41/87/911084187.db2.gz UMIARAXVNCVSFE-JTQLQIEISA-N 1 2 281.385 0.943 20 30 CCEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC001321100085 911084205 /nfs/dbraw/zinc/08/42/05/911084205.db2.gz UMIARAXVNCVSFE-JTQLQIEISA-N 1 2 281.385 0.943 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321169081 911134923 /nfs/dbraw/zinc/13/49/23/911134923.db2.gz GJQAAVYKFCAVIL-YPMHNXCESA-N 1 2 261.325 0.336 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C=C)n2CC=C)CC1 ZINC001339055628 921639388 /nfs/dbraw/zinc/63/93/88/921639388.db2.gz ISEAWTHVFJSBII-ZDUSSCGKSA-N 1 2 287.367 0.439 20 30 CCEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001321461054 911311873 /nfs/dbraw/zinc/31/18/73/911311873.db2.gz HJEHVRXXNHWQCJ-NSHDSACASA-N 1 2 297.380 0.462 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001392663507 912058326 /nfs/dbraw/zinc/05/83/26/912058326.db2.gz YUFWVKSJPPHXMF-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001392663507 912058342 /nfs/dbraw/zinc/05/83/42/912058342.db2.gz YUFWVKSJPPHXMF-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001392663506 912058885 /nfs/dbraw/zinc/05/88/85/912058885.db2.gz YUFWVKSJPPHXMF-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001392663506 912058910 /nfs/dbraw/zinc/05/89/10/912058910.db2.gz YUFWVKSJPPHXMF-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001323200529 912176781 /nfs/dbraw/zinc/17/67/81/912176781.db2.gz WAIWEEYRMGVYMT-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001323200529 912176793 /nfs/dbraw/zinc/17/67/93/912176793.db2.gz WAIWEEYRMGVYMT-OLZOCXBDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC1 ZINC001339529250 921752249 /nfs/dbraw/zinc/75/22/49/921752249.db2.gz GRVXIJZSBXQIBH-RYUDHWBXSA-N 1 2 277.372 0.802 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC1 ZINC001339529250 921752265 /nfs/dbraw/zinc/75/22/65/921752265.db2.gz GRVXIJZSBXQIBH-RYUDHWBXSA-N 1 2 277.372 0.802 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC1 ZINC001339529256 921752308 /nfs/dbraw/zinc/75/23/08/921752308.db2.gz GRVXIJZSBXQIBH-VXGBXAGGSA-N 1 2 277.372 0.802 20 30 CCEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC1 ZINC001339529256 921752321 /nfs/dbraw/zinc/75/23/21/921752321.db2.gz GRVXIJZSBXQIBH-VXGBXAGGSA-N 1 2 277.372 0.802 20 30 CCEDLO N#CCNCC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001328875509 915491369 /nfs/dbraw/zinc/49/13/69/915491369.db2.gz IDIKGNBGTIGTGM-CPCZMJQVSA-N 1 2 287.367 0.453 20 30 CCEDLO C[C@H](NCC#N)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001329084155 915653959 /nfs/dbraw/zinc/65/39/59/915653959.db2.gz CCSHLHZSXBGUCU-QWRGUYRKSA-N 1 2 263.345 0.359 20 30 CCEDLO C=CCO[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC001329158911 915716614 /nfs/dbraw/zinc/71/66/14/915716614.db2.gz WSUZDUKUTXGCBL-SECBINFHSA-N 1 2 250.302 0.849 20 30 CCEDLO C=CCO[C@@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC001329158911 915716627 /nfs/dbraw/zinc/71/66/27/915716627.db2.gz WSUZDUKUTXGCBL-SECBINFHSA-N 1 2 250.302 0.849 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccnc(F)c2)C1 ZINC001329641208 916093575 /nfs/dbraw/zinc/09/35/75/916093575.db2.gz DQRLKILSJYIUHL-UHFFFAOYSA-N 1 2 291.326 0.411 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001330177535 916455502 /nfs/dbraw/zinc/45/55/02/916455502.db2.gz QGOADTBMLIMOMM-NWDGAFQWSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001330177535 916455511 /nfs/dbraw/zinc/45/55/11/916455511.db2.gz QGOADTBMLIMOMM-NWDGAFQWSA-N 1 2 297.399 0.150 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001401843869 916629332 /nfs/dbraw/zinc/62/93/32/916629332.db2.gz SESBPTMWYRZGCN-ONGXEEELSA-N 1 2 291.355 0.776 20 30 CCEDLO Cc1nonc1C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N ZINC001402639007 917148987 /nfs/dbraw/zinc/14/89/87/917148987.db2.gz QLUMWEQUCLIBHD-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1nonc1C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N ZINC001402639007 917148995 /nfs/dbraw/zinc/14/89/95/917148995.db2.gz QLUMWEQUCLIBHD-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001331629196 917461991 /nfs/dbraw/zinc/46/19/91/917461991.db2.gz OWLLJDJMNJDZEH-ZDUSSCGKSA-N 1 2 291.395 0.718 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001331934247 917731562 /nfs/dbraw/zinc/73/15/62/917731562.db2.gz MJCZOKVIAORCMY-ZIAGYGMSSA-N 1 2 298.383 0.485 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001407911874 919953007 /nfs/dbraw/zinc/95/30/07/919953007.db2.gz SSOFZTBGQZYFAO-UTUOFQBUSA-N 1 2 289.339 0.196 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](c1ncon1)C(C)C ZINC001335501989 920241096 /nfs/dbraw/zinc/24/10/96/920241096.db2.gz WULIHLXFYRLDFM-LLVKDONJSA-N 1 2 250.302 0.496 20 30 CCEDLO CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCn1cc[nH+]c1 ZINC001415721271 920811961 /nfs/dbraw/zinc/81/19/61/920811961.db2.gz QNSXZDPPRSRVKH-GFCCVEGCSA-N 1 2 291.355 0.398 20 30 CCEDLO C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1=CC[N@H+](C)CC1 ZINC001336571472 920844925 /nfs/dbraw/zinc/84/49/25/920844925.db2.gz YYZAVYSSCRQGMT-SECBINFHSA-N 1 2 289.339 0.008 20 30 CCEDLO C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1=CC[N@@H+](C)CC1 ZINC001336571472 920844932 /nfs/dbraw/zinc/84/49/32/920844932.db2.gz YYZAVYSSCRQGMT-SECBINFHSA-N 1 2 289.339 0.008 20 30 CCEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001418091021 921822490 /nfs/dbraw/zinc/82/24/90/921822490.db2.gz XTWCQAPQQABLDR-MPKXCIJOSA-N 1 2 277.328 0.836 20 30 CCEDLO N#C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001341092375 922343412 /nfs/dbraw/zinc/34/34/12/922343412.db2.gz BWECOVNATVCAKZ-VIFPVBQESA-N 1 2 259.313 0.431 20 30 CCEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(C)=O)n1 ZINC001418744909 922403456 /nfs/dbraw/zinc/40/34/56/922403456.db2.gz VCFMPACTUWAOSE-UHFFFAOYSA-N 1 2 270.720 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001418788451 922420638 /nfs/dbraw/zinc/42/06/38/922420638.db2.gz ZDLLVNBYUUMMQT-LOWVWBTDSA-N 1 2 292.383 0.251 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001418788451 922420649 /nfs/dbraw/zinc/42/06/49/922420649.db2.gz ZDLLVNBYUUMMQT-LOWVWBTDSA-N 1 2 292.383 0.251 20 30 CCEDLO C=C(Cl)CN1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001419035626 922585272 /nfs/dbraw/zinc/58/52/72/922585272.db2.gz MCXUGDDAIRHWEQ-UHFFFAOYSA-N 1 2 282.775 0.763 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001479268611 923080167 /nfs/dbraw/zinc/08/01/67/923080167.db2.gz AFKADCVCHLDRKG-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001479268611 923080178 /nfs/dbraw/zinc/08/01/78/923080178.db2.gz AFKADCVCHLDRKG-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO CCCn1ncnc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001420915409 924021335 /nfs/dbraw/zinc/02/13/35/924021335.db2.gz AIXZGDAIUVLSJI-LLVKDONJSA-N 1 2 290.371 0.586 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)nn1 ZINC001348965321 924855268 /nfs/dbraw/zinc/85/52/68/924855268.db2.gz CHPSVLFOHBLCGX-SNVBAGLBSA-N 1 2 260.301 0.538 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001350314613 925168110 /nfs/dbraw/zinc/16/81/10/925168110.db2.gz FWXLAIPJGRQANN-LBPRGKRZSA-N 1 2 276.340 0.377 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001350314613 925168114 /nfs/dbraw/zinc/16/81/14/925168114.db2.gz FWXLAIPJGRQANN-LBPRGKRZSA-N 1 2 276.340 0.377 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC(O)(CC#N)C2)c[nH+]1 ZINC001353650879 925894667 /nfs/dbraw/zinc/89/46/67/925894667.db2.gz NWYDUJDFUPMNEN-UHFFFAOYSA-N 1 2 262.313 0.414 20 30 CCEDLO C#CCCCC(=O)NCCN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC001356032653 926337724 /nfs/dbraw/zinc/33/77/24/926337724.db2.gz DWMIFIIYSCKJFP-UHFFFAOYSA-N 1 2 290.367 0.720 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001356271095 926363208 /nfs/dbraw/zinc/36/32/08/926363208.db2.gz VEKPIHWACWIRKA-WFASDCNBSA-N 1 2 291.399 0.669 20 30 CCEDLO C#CCN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001356271095 926363215 /nfs/dbraw/zinc/36/32/15/926363215.db2.gz VEKPIHWACWIRKA-WFASDCNBSA-N 1 2 291.399 0.669 20 30 CCEDLO N#Cc1ccnc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1 ZINC001413974765 926615604 /nfs/dbraw/zinc/61/56/04/926615604.db2.gz OMJJUALIXWGDSQ-UHFFFAOYSA-N 1 2 280.353 0.206 20 30 CCEDLO Cc1conc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001421334002 926683508 /nfs/dbraw/zinc/68/35/08/926683508.db2.gz ASWFMDRASRUPOY-QMTHXVAHSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1conc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001421334002 926683518 /nfs/dbraw/zinc/68/35/18/926683518.db2.gz ASWFMDRASRUPOY-QMTHXVAHSA-N 1 2 292.339 0.196 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001358502165 926713910 /nfs/dbraw/zinc/71/39/10/926713910.db2.gz KYYMGQOFFWZBKV-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422329373 927226154 /nfs/dbraw/zinc/22/61/54/927226154.db2.gz GLUCUAQTLRFRRW-JTQLQIEISA-N 1 2 280.353 0.064 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422329373 927226166 /nfs/dbraw/zinc/22/61/66/927226166.db2.gz GLUCUAQTLRFRRW-JTQLQIEISA-N 1 2 280.353 0.064 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001422488326 927310362 /nfs/dbraw/zinc/31/03/62/927310362.db2.gz RGIGKUUXLPKLFX-VIFPVBQESA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001422488326 927310378 /nfs/dbraw/zinc/31/03/78/927310378.db2.gz RGIGKUUXLPKLFX-VIFPVBQESA-N 1 2 285.779 0.926 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CNc1ccc(C#N)cc1 ZINC001363144683 928917457 /nfs/dbraw/zinc/91/74/57/928917457.db2.gz PXELPHTZJRJQAM-ZDUSSCGKSA-N 1 2 299.334 0.553 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001426820999 928925990 /nfs/dbraw/zinc/92/59/90/928925990.db2.gz LLPZFJXSEAHRDM-GHMZBOCLSA-N 1 2 277.328 0.006 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001363283116 929072291 /nfs/dbraw/zinc/07/22/91/929072291.db2.gz PPYHAIWDMKQFCJ-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1ccncc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363283116 929072299 /nfs/dbraw/zinc/07/22/99/929072299.db2.gz PPYHAIWDMKQFCJ-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(C#N)c1 ZINC001363803708 929591670 /nfs/dbraw/zinc/59/16/70/929591670.db2.gz PHSJSOOGMWPFTA-ZDUSSCGKSA-N 1 2 297.318 0.368 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C#N)c1 ZINC001363803708 929591681 /nfs/dbraw/zinc/59/16/81/929591681.db2.gz PHSJSOOGMWPFTA-ZDUSSCGKSA-N 1 2 297.318 0.368 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001363812877 929602047 /nfs/dbraw/zinc/60/20/47/929602047.db2.gz CITICXUCIHXTIR-VXGBXAGGSA-N 1 2 297.322 0.087 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001363812877 929602056 /nfs/dbraw/zinc/60/20/56/929602056.db2.gz CITICXUCIHXTIR-VXGBXAGGSA-N 1 2 297.322 0.087 20 30 CCEDLO Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)cn1 ZINC001373502645 930223483 /nfs/dbraw/zinc/22/34/83/930223483.db2.gz JVAGNMVYJYAYCV-JTQLQIEISA-N 1 2 273.340 0.493 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@H](NC(=O)CCc1cnn[nH]1)C1CC1 ZINC001445991783 930300649 /nfs/dbraw/zinc/30/06/49/930300649.db2.gz UVYITMKSCMNHCH-LBPRGKRZSA-N 1 2 297.790 0.974 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)nn1C ZINC001375643187 930941119 /nfs/dbraw/zinc/94/11/19/930941119.db2.gz BOYHNIUPGGGXQM-QKCSRTOESA-N 1 2 289.383 0.967 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)nn1C ZINC001375643187 930941129 /nfs/dbraw/zinc/94/11/29/930941129.db2.gz BOYHNIUPGGGXQM-QKCSRTOESA-N 1 2 289.383 0.967 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001376574755 931185459 /nfs/dbraw/zinc/18/54/59/931185459.db2.gz NBWPWKWLTCCHHQ-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001376574755 931185466 /nfs/dbraw/zinc/18/54/66/931185466.db2.gz NBWPWKWLTCCHHQ-NEPJUHHUSA-N 1 2 290.371 0.445 20 30 CCEDLO COC(=O)[C@](C)([NH2+]CCC(=O)N(C)CCC#N)C1CC1 ZINC000092808656 349506366 /nfs/dbraw/zinc/50/63/66/349506366.db2.gz GDQHEEASRUKVTH-CQSZACIVSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)nn1 ZINC000599559123 361737942 /nfs/dbraw/zinc/73/79/42/361737942.db2.gz RXXZLQVBSSAKHH-CQSZACIVSA-N 1 2 294.355 0.618 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)nn1 ZINC000599559123 361737947 /nfs/dbraw/zinc/73/79/47/361737947.db2.gz RXXZLQVBSSAKHH-CQSZACIVSA-N 1 2 294.355 0.618 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](CC(N)=O)C3)n2c1 ZINC000600207300 361889544 /nfs/dbraw/zinc/88/95/44/361889544.db2.gz BIONJBQVKWQQMM-CYBMUJFWSA-N 1 2 299.334 0.282 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000337901438 214305333 /nfs/dbraw/zinc/30/53/33/214305333.db2.gz QOAQPLSLCLDQHT-CQSZACIVSA-N 1 2 284.363 0.596 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCCCC#N ZINC000600419268 361955212 /nfs/dbraw/zinc/95/52/12/361955212.db2.gz GHEMBIAJRHEPIK-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCCCC#N ZINC000600419268 361955219 /nfs/dbraw/zinc/95/52/19/361955219.db2.gz GHEMBIAJRHEPIK-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000103147196 349691031 /nfs/dbraw/zinc/69/10/31/349691031.db2.gz ZJMFFPROJDWQHL-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000103147196 349691034 /nfs/dbraw/zinc/69/10/34/349691034.db2.gz ZJMFFPROJDWQHL-CQSZACIVSA-N 1 2 290.319 0.811 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](CC(=O)OCC)C(C)=O)nn1 ZINC000600976417 362111518 /nfs/dbraw/zinc/11/15/18/362111518.db2.gz SIWYTTTYSZRMND-CYBMUJFWSA-N 1 2 292.339 0.474 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000330045620 529788043 /nfs/dbraw/zinc/78/80/43/529788043.db2.gz GLRMIAQWSJABLQ-SNVBAGLBSA-N 1 2 275.312 0.365 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000330045620 529788045 /nfs/dbraw/zinc/78/80/45/529788045.db2.gz GLRMIAQWSJABLQ-SNVBAGLBSA-N 1 2 275.312 0.365 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCSC2)C1 ZINC000330148844 529788047 /nfs/dbraw/zinc/78/80/47/529788047.db2.gz JSCDZKMGDUGYKB-WDEREUQCSA-N 1 2 273.402 0.716 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCSC2)C1 ZINC000330148844 529788048 /nfs/dbraw/zinc/78/80/48/529788048.db2.gz JSCDZKMGDUGYKB-WDEREUQCSA-N 1 2 273.402 0.716 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)CC1(C#N)CCC1 ZINC000331947096 529828811 /nfs/dbraw/zinc/82/88/11/529828811.db2.gz YWIFBJAWOMSITJ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)CC1(C#N)CCC1 ZINC000331947096 529828812 /nfs/dbraw/zinc/82/88/12/529828812.db2.gz YWIFBJAWOMSITJ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO N#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000115315292 349851947 /nfs/dbraw/zinc/85/19/47/349851947.db2.gz YLSAKPJLYZKCEG-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO C[C@@H](C#N)N(C1CC1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601463038 362280826 /nfs/dbraw/zinc/28/08/26/362280826.db2.gz GELMELITCGIBGJ-JQWIXIFHSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@@H](C#N)N(C1CC1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601463038 362280835 /nfs/dbraw/zinc/28/08/35/362280835.db2.gz GELMELITCGIBGJ-JQWIXIFHSA-N 1 2 287.385 0.023 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888643 362417544 /nfs/dbraw/zinc/41/75/44/362417544.db2.gz SGDKKJBREKFDKJ-ZDUSSCGKSA-N 1 2 287.367 0.713 20 30 CCEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@H](CO)C1 ZINC000601980372 362448991 /nfs/dbraw/zinc/44/89/91/362448991.db2.gz UKEGXBVNIZFYAF-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@H](CO)C1 ZINC000601980372 362448997 /nfs/dbraw/zinc/44/89/97/362448997.db2.gz UKEGXBVNIZFYAF-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000602032378 362465757 /nfs/dbraw/zinc/46/57/57/362465757.db2.gz IRVMMPPRMAVNDW-IYBDPMFKSA-N 1 2 299.374 0.973 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CC[C@@](F)(C#N)C2)[nH+]1 ZINC000602143329 362521841 /nfs/dbraw/zinc/52/18/41/362521841.db2.gz SEHDGUMFBAFFKT-GFCCVEGCSA-N 1 2 250.277 0.979 20 30 CCEDLO CCc1c[nH]c(CC(=O)N=c2cc(C)n(CCC#N)[nH]2)[nH+]1 ZINC000602132489 362511114 /nfs/dbraw/zinc/51/11/14/362511114.db2.gz IHOBVROMTGKBCL-UHFFFAOYSA-N 1 2 286.339 0.994 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602198681 362554208 /nfs/dbraw/zinc/55/42/08/362554208.db2.gz KTWCHBUUMLKPBM-VXGBXAGGSA-N 1 2 273.340 0.571 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602198681 362554211 /nfs/dbraw/zinc/55/42/11/362554211.db2.gz KTWCHBUUMLKPBM-VXGBXAGGSA-N 1 2 273.340 0.571 20 30 CCEDLO Cn1cc(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000361551051 232150960 /nfs/dbraw/zinc/15/09/60/232150960.db2.gz UKZVFFPZCDGHHW-UONOGXRCSA-N 1 2 260.341 0.412 20 30 CCEDLO Cn1cc(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000361551051 232150963 /nfs/dbraw/zinc/15/09/63/232150963.db2.gz UKZVFFPZCDGHHW-UONOGXRCSA-N 1 2 260.341 0.412 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446724 362621891 /nfs/dbraw/zinc/62/18/91/362621891.db2.gz IMKJSNHBJGPKDJ-SNVBAGLBSA-N 1 2 267.354 0.925 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446724 362621897 /nfs/dbraw/zinc/62/18/97/362621897.db2.gz IMKJSNHBJGPKDJ-SNVBAGLBSA-N 1 2 267.354 0.925 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602595058 362699714 /nfs/dbraw/zinc/69/97/14/362699714.db2.gz GNZAHUJGBWDJER-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602595058 362699722 /nfs/dbraw/zinc/69/97/22/362699722.db2.gz GNZAHUJGBWDJER-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO N#Cc1cccc(C[NH2+]Cc2nnnn2CC2CC2)n1 ZINC000602620428 362716891 /nfs/dbraw/zinc/71/68/91/362716891.db2.gz WVLKYUFJUCKCSX-UHFFFAOYSA-N 1 2 269.312 0.640 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1C ZINC000602696184 362755889 /nfs/dbraw/zinc/75/58/89/362755889.db2.gz JNUOPVRLPDLLJC-AWEZNQCLSA-N 1 2 277.324 0.662 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1C ZINC000602696184 362755896 /nfs/dbraw/zinc/75/58/96/362755896.db2.gz JNUOPVRLPDLLJC-AWEZNQCLSA-N 1 2 277.324 0.662 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)CC2(CC#N)CC2)no1 ZINC000602768593 362790115 /nfs/dbraw/zinc/79/01/15/362790115.db2.gz RBUBNRZQGOZQFZ-UHFFFAOYSA-N 1 2 262.313 0.969 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)CC2(CC#N)CC2)no1 ZINC000602768593 362790119 /nfs/dbraw/zinc/79/01/19/362790119.db2.gz RBUBNRZQGOZQFZ-UHFFFAOYSA-N 1 2 262.313 0.969 20 30 CCEDLO COCCN1CC[N@H+](CC2(CC#N)CC2)CC1=O ZINC000602801093 362808346 /nfs/dbraw/zinc/80/83/46/362808346.db2.gz ZNOQPPAQRNVSJZ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO COCCN1CC[N@@H+](CC2(CC#N)CC2)CC1=O ZINC000602801093 362808348 /nfs/dbraw/zinc/80/83/48/362808348.db2.gz ZNOQPPAQRNVSJZ-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000102963524 185800380 /nfs/dbraw/zinc/80/03/80/185800380.db2.gz XECKGPSBTRBODO-UHFFFAOYSA-N 1 2 290.298 0.410 20 30 CCEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602863749 362849427 /nfs/dbraw/zinc/84/94/27/362849427.db2.gz PSYICCFTUUQABC-NSHDSACASA-N 1 2 268.361 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000007659455 348008490 /nfs/dbraw/zinc/00/84/90/348008490.db2.gz USXMQUGCGAHTFQ-OAHLLOKOSA-N 1 2 296.415 0.887 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000007659455 348008492 /nfs/dbraw/zinc/00/84/92/348008492.db2.gz USXMQUGCGAHTFQ-OAHLLOKOSA-N 1 2 296.415 0.887 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000016443338 348047944 /nfs/dbraw/zinc/04/79/44/348047944.db2.gz PKHSTXFZWJHHQQ-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000023251413 348084368 /nfs/dbraw/zinc/08/43/68/348084368.db2.gz URJUKROZVBUQQZ-UHFFFAOYSA-N 1 2 286.379 0.764 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000602868938 362852382 /nfs/dbraw/zinc/85/23/82/362852382.db2.gz LBILNONMIXJXEO-RKDXNWHRSA-N 1 2 254.334 0.891 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000602867962 362851322 /nfs/dbraw/zinc/85/13/22/362851322.db2.gz GAJYHWVSKTXDDY-SNVBAGLBSA-N 1 2 272.308 0.863 20 30 CCEDLO CNc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)c[nH+]1 ZINC000042739433 348292135 /nfs/dbraw/zinc/29/21/35/348292135.db2.gz NOYOPGXSQLLAAR-UHFFFAOYSA-N 1 2 286.295 0.136 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602914286 362883499 /nfs/dbraw/zinc/88/34/99/362883499.db2.gz DDBMGAKUXBSOGT-MNOVXSKESA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602914286 362883502 /nfs/dbraw/zinc/88/35/02/362883502.db2.gz DDBMGAKUXBSOGT-MNOVXSKESA-N 1 2 252.314 0.943 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000046171268 348352137 /nfs/dbraw/zinc/35/21/37/348352137.db2.gz DVIZWOYEMKKDED-LLVKDONJSA-N 1 2 278.356 0.279 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000046171268 348352142 /nfs/dbraw/zinc/35/21/42/348352142.db2.gz DVIZWOYEMKKDED-LLVKDONJSA-N 1 2 278.356 0.279 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602974341 362916542 /nfs/dbraw/zinc/91/65/42/362916542.db2.gz MUEOQLQOQUXFOF-KBPBESRZSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602974341 362916547 /nfs/dbraw/zinc/91/65/47/362916547.db2.gz MUEOQLQOQUXFOF-KBPBESRZSA-N 1 2 292.383 0.301 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273353900 192124076 /nfs/dbraw/zinc/12/40/76/192124076.db2.gz VOCSSOFYSFVRIV-WDEREUQCSA-N 1 2 252.318 0.508 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000051131487 348486286 /nfs/dbraw/zinc/48/62/86/348486286.db2.gz CQAYGNWYDHMZRB-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000051131487 348486288 /nfs/dbraw/zinc/48/62/88/348486288.db2.gz CQAYGNWYDHMZRB-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO CCS(=O)(=O)NCCC/[NH+]=C/c1cccc(O)c1O ZINC000064853141 348705393 /nfs/dbraw/zinc/70/53/93/348705393.db2.gz ORISBXZLWWMUPA-UKTHLTGXSA-N 1 2 286.353 0.846 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn(CC)c2)CC1 ZINC000066914234 348760180 /nfs/dbraw/zinc/76/01/80/348760180.db2.gz SODNYIXITGPNQW-UHFFFAOYSA-N 1 2 296.396 0.233 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071010984 348902664 /nfs/dbraw/zinc/90/26/64/348902664.db2.gz IXTMMCLYEXIJJO-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071010984 348902665 /nfs/dbraw/zinc/90/26/65/348902665.db2.gz IXTMMCLYEXIJJO-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000076667770 349088426 /nfs/dbraw/zinc/08/84/26/349088426.db2.gz MVFADIPLGCINES-UHFFFAOYSA-N 1 2 276.315 0.587 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)C#Cc1ccccc1 ZINC000080635849 349223735 /nfs/dbraw/zinc/22/37/35/349223735.db2.gz SPRYPPWTZDFZRW-UHFFFAOYSA-N 1 2 272.348 0.829 20 30 CCEDLO Cn1cc(CCN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000081158264 349248296 /nfs/dbraw/zinc/24/82/96/349248296.db2.gz VXNAFBLFRFXHPG-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO Cn1cc(CC[N@H+](CCC#N)CCN2CCOCC2)cn1 ZINC000081158264 349248298 /nfs/dbraw/zinc/24/82/98/349248298.db2.gz VXNAFBLFRFXHPG-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO Cn1cc(CC[N@@H+](CCC#N)CCN2CCOCC2)cn1 ZINC000081158264 349248301 /nfs/dbraw/zinc/24/83/01/349248301.db2.gz VXNAFBLFRFXHPG-UHFFFAOYSA-N 1 2 291.399 0.510 20 30 CCEDLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000081292366 349255375 /nfs/dbraw/zinc/25/53/75/349255375.db2.gz WWOLTQANWIVBAA-CYBMUJFWSA-N 1 2 259.309 0.852 20 30 CCEDLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000081292366 349255380 /nfs/dbraw/zinc/25/53/80/349255380.db2.gz WWOLTQANWIVBAA-CYBMUJFWSA-N 1 2 259.309 0.852 20 30 CCEDLO N#Cc1ccc(OCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088751191 349371165 /nfs/dbraw/zinc/37/11/65/349371165.db2.gz MAKHPJQMCHYZRM-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO N#Cc1ccc(OCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088751191 349371168 /nfs/dbraw/zinc/37/11/68/349371168.db2.gz MAKHPJQMCHYZRM-UHFFFAOYSA-N 1 2 256.265 0.977 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)SC(C)(C)C2=O)CC1 ZINC000132260219 350302340 /nfs/dbraw/zinc/30/23/40/350302340.db2.gz JBVGPEAEQFTWEY-UHFFFAOYSA-N 1 2 281.381 0.669 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)N1CC#N ZINC000603097869 362962261 /nfs/dbraw/zinc/96/22/61/362962261.db2.gz MJCAEDZLPUJSDK-TXEJJXNPSA-N 1 2 275.356 0.787 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000166071301 350795411 /nfs/dbraw/zinc/79/54/11/350795411.db2.gz UMXQTXORBRELGC-UHFFFAOYSA-N 1 2 292.364 0.422 20 30 CCEDLO C[N@H+](CCO)Cc1cn(Cc2ccccc2C#N)nn1 ZINC000603172125 362981710 /nfs/dbraw/zinc/98/17/10/362981710.db2.gz DRNVGKBEHNYMDV-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(Cc2ccccc2C#N)nn1 ZINC000603172125 362981717 /nfs/dbraw/zinc/98/17/17/362981717.db2.gz DRNVGKBEHNYMDV-UHFFFAOYSA-N 1 2 271.324 0.622 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172182490 350963836 /nfs/dbraw/zinc/96/38/36/350963836.db2.gz NBCZEWNZSAXXIJ-HNNXBMFYSA-N 1 2 273.336 0.895 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172182490 350963838 /nfs/dbraw/zinc/96/38/38/350963838.db2.gz NBCZEWNZSAXXIJ-HNNXBMFYSA-N 1 2 273.336 0.895 20 30 CCEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000171920098 350943838 /nfs/dbraw/zinc/94/38/38/350943838.db2.gz JJYZDEGQUAGLFE-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[NH+](CCO)CCO ZINC000186947778 351521836 /nfs/dbraw/zinc/52/18/36/351521836.db2.gz KCCWCPFXHVNOEP-UHFFFAOYSA-N 1 2 254.717 0.998 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C#N)c1 ZINC000192705132 351794528 /nfs/dbraw/zinc/79/45/28/351794528.db2.gz KSFWQWRLUHDVJD-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 ZINC000122135178 187016874 /nfs/dbraw/zinc/01/68/74/187016874.db2.gz SZXKIWCBHBGFNL-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 ZINC000122135178 187016875 /nfs/dbraw/zinc/01/68/75/187016875.db2.gz SZXKIWCBHBGFNL-ZWNOBZJWSA-N 1 2 259.309 0.633 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000603934778 363173961 /nfs/dbraw/zinc/17/39/61/363173961.db2.gz SYRJJEJAKZJFLL-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000603934778 363173966 /nfs/dbraw/zinc/17/39/66/363173966.db2.gz SYRJJEJAKZJFLL-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000269744213 352871362 /nfs/dbraw/zinc/87/13/62/352871362.db2.gz MPEOQUQGHRGLRK-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000269744213 352871367 /nfs/dbraw/zinc/87/13/67/352871367.db2.gz MPEOQUQGHRGLRK-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000270430042 352932745 /nfs/dbraw/zinc/93/27/45/352932745.db2.gz WPFKQXKFOVKYPF-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000270430042 352932746 /nfs/dbraw/zinc/93/27/46/352932746.db2.gz WPFKQXKFOVKYPF-AWEZNQCLSA-N 1 2 296.392 0.958 20 30 CCEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](CCO)CC2)c1 ZINC000272444918 353065004 /nfs/dbraw/zinc/06/50/04/353065004.db2.gz FHRMENALABTKMQ-UHFFFAOYSA-N 1 2 273.336 0.875 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383797 353419271 /nfs/dbraw/zinc/41/92/71/353419271.db2.gz XDPFEGUITIHDDV-BXUZGUMPSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383797 353419272 /nfs/dbraw/zinc/41/92/72/353419272.db2.gz XDPFEGUITIHDDV-BXUZGUMPSA-N 1 2 273.336 0.754 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000285751797 353561264 /nfs/dbraw/zinc/56/12/64/353561264.db2.gz UVGCLPAYIFXDNL-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000287809008 353668631 /nfs/dbraw/zinc/66/86/31/353668631.db2.gz KCJWPSDLHBFVGK-UHFFFAOYSA-N 1 2 288.355 0.043 20 30 CCEDLO CC[N@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290240491 353716447 /nfs/dbraw/zinc/71/64/47/353716447.db2.gz JFJKFQXGTTZLOR-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO CC[N@@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290240491 353716452 /nfs/dbraw/zinc/71/64/52/353716452.db2.gz JFJKFQXGTTZLOR-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000294950029 353891630 /nfs/dbraw/zinc/89/16/30/353891630.db2.gz LYGGMRCFRFVYRL-GFCCVEGCSA-N 1 2 288.351 0.472 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296275355 353939296 /nfs/dbraw/zinc/93/92/96/353939296.db2.gz GYOSKWSDSYURKW-UHFFFAOYSA-N 1 2 261.285 0.448 20 30 CCEDLO C#CCN(CC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000299550998 354026536 /nfs/dbraw/zinc/02/65/36/354026536.db2.gz XMUHUSMMHXPQHR-UHFFFAOYSA-N 1 2 261.281 0.510 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000308172705 354182421 /nfs/dbraw/zinc/18/24/21/354182421.db2.gz WCPLKKZJVGXXKD-GFCCVEGCSA-N 1 2 272.356 0.322 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1F ZINC000331177613 354479844 /nfs/dbraw/zinc/47/98/44/354479844.db2.gz QEIJJWKTHZWPDQ-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1F ZINC000331177613 354479849 /nfs/dbraw/zinc/47/98/49/354479849.db2.gz QEIJJWKTHZWPDQ-NSHDSACASA-N 1 2 283.328 0.560 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)CCC1 ZINC000335584618 355003180 /nfs/dbraw/zinc/00/31/80/355003180.db2.gz VKERMZHOKXMRQZ-UWVGGRQHSA-N 1 2 251.355 0.739 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)CCC1 ZINC000335584618 355003182 /nfs/dbraw/zinc/00/31/82/355003182.db2.gz VKERMZHOKXMRQZ-UWVGGRQHSA-N 1 2 251.355 0.739 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000340291050 355550996 /nfs/dbraw/zinc/55/09/96/355550996.db2.gz UTRMQMXKDRBEQO-UHFFFAOYSA-N 1 2 263.297 0.555 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343358117 355769240 /nfs/dbraw/zinc/76/92/40/355769240.db2.gz KYBIVLDTLYFJHA-GXTWGEPZSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343358117 355769241 /nfs/dbraw/zinc/76/92/41/355769241.db2.gz KYBIVLDTLYFJHA-GXTWGEPZSA-N 1 2 268.357 0.293 20 30 CCEDLO N#CCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344141454 355786287 /nfs/dbraw/zinc/78/62/87/355786287.db2.gz LVSOCSHGIXITMB-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO N#CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344141454 355786291 /nfs/dbraw/zinc/78/62/91/355786291.db2.gz LVSOCSHGIXITMB-LLVKDONJSA-N 1 2 271.386 0.694 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486418 363498595 /nfs/dbraw/zinc/49/85/95/363498595.db2.gz KEGCGDXYSYJTCG-KBPBESRZSA-N 1 2 278.400 0.843 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609620226 363510231 /nfs/dbraw/zinc/51/02/31/363510231.db2.gz LRGOQLPFKCLTBZ-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)OC ZINC000619702492 366325841 /nfs/dbraw/zinc/32/58/41/366325841.db2.gz NOXJYOUCRDQLJU-ISTVAULSSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000619720063 366341461 /nfs/dbraw/zinc/34/14/61/366341461.db2.gz XHWDIZVIHAVLEL-GFCCVEGCSA-N 1 2 264.329 0.718 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000619717178 366333519 /nfs/dbraw/zinc/33/35/19/366333519.db2.gz FLINTRANVGRCJX-WDEREUQCSA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000619717178 366333526 /nfs/dbraw/zinc/33/35/26/366333526.db2.gz FLINTRANVGRCJX-WDEREUQCSA-N 1 2 254.330 0.692 20 30 CCEDLO CN(C)c1c[nH+]ccc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000619807879 366358217 /nfs/dbraw/zinc/35/82/17/366358217.db2.gz KHGYJPQGUOGZEV-SNVBAGLBSA-N 1 2 275.312 0.326 20 30 CCEDLO N#Cc1cnccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364329190 357110314 /nfs/dbraw/zinc/11/03/14/357110314.db2.gz UVOJUYXAUODHON-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CCc3[nH+]ccn3C2)c1N ZINC000372721785 283245636 /nfs/dbraw/zinc/24/56/36/283245636.db2.gz WMJLGTKUIVETHO-QMMMGPOBSA-N 1 2 256.269 0.436 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368193798 357328382 /nfs/dbraw/zinc/32/83/82/357328382.db2.gz FRROWBPELSACFT-SNVBAGLBSA-N 1 2 264.329 0.769 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368193798 357328383 /nfs/dbraw/zinc/32/83/83/357328383.db2.gz FRROWBPELSACFT-SNVBAGLBSA-N 1 2 264.329 0.769 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374330562 357398881 /nfs/dbraw/zinc/39/88/81/357398881.db2.gz OJISKXMOOJKIGI-GFCCVEGCSA-N 1 2 261.325 0.776 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377138217 357542390 /nfs/dbraw/zinc/54/23/90/357542390.db2.gz CJARNSIXWRKSLB-SNVBAGLBSA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000377225749 357555470 /nfs/dbraw/zinc/55/54/70/357555470.db2.gz QXIIWNRVAJTCLE-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000377225749 357555476 /nfs/dbraw/zinc/55/54/76/357555476.db2.gz QXIIWNRVAJTCLE-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2ccnc(C#N)n2)C1 ZINC000400767640 357795586 /nfs/dbraw/zinc/79/55/86/357795586.db2.gz KLJRJVRCGWRHMO-SECBINFHSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2ccnc(C#N)n2)C1 ZINC000400767640 357795590 /nfs/dbraw/zinc/79/55/90/357795590.db2.gz KLJRJVRCGWRHMO-SECBINFHSA-N 1 2 250.327 0.771 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000294729692 199155755 /nfs/dbraw/zinc/15/57/55/199155755.db2.gz WFVRAOBLUNALET-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000294729692 199155757 /nfs/dbraw/zinc/15/57/57/199155757.db2.gz WFVRAOBLUNALET-NWDGAFQWSA-N 1 2 285.340 0.616 20 30 CCEDLO Cc1nc(N2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)cc[nH+]1 ZINC000450601432 358256612 /nfs/dbraw/zinc/25/66/12/358256612.db2.gz PMXPMLKIJZVHBM-NHYWBVRUSA-N 1 2 285.351 0.983 20 30 CCEDLO Cn1ncc2c1nc(N[C@H]1CC[C@@H](CC#N)C1)[nH+]c2N ZINC000450673086 358256998 /nfs/dbraw/zinc/25/69/98/358256998.db2.gz NPPLTTRSERSPHA-IUCAKERBSA-N 1 2 271.328 0.862 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C#C)c2)CC1 ZINC000490779215 358291562 /nfs/dbraw/zinc/29/15/62/358291562.db2.gz SUUVNTVEDNHTRC-UHFFFAOYSA-N 1 2 281.359 0.857 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000610724008 363604227 /nfs/dbraw/zinc/60/42/27/363604227.db2.gz YRCBGVLEAYXESM-ZDUSSCGKSA-N 1 2 286.335 0.500 20 30 CCEDLO CNS(=O)(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000568079876 358631168 /nfs/dbraw/zinc/63/11/68/358631168.db2.gz CPSQWHLJHLKIJT-NSHDSACASA-N 1 2 280.353 0.390 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)C(N)=O ZINC000568527125 358683278 /nfs/dbraw/zinc/68/32/78/358683278.db2.gz LBJBKDXQXIVWPY-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)C(N)=O ZINC000568527125 358683280 /nfs/dbraw/zinc/68/32/80/358683280.db2.gz LBJBKDXQXIVWPY-JTQLQIEISA-N 1 2 262.313 0.275 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204375 358833097 /nfs/dbraw/zinc/83/30/97/358833097.db2.gz QZDXDEGLFVTMGA-RISCZKNCSA-N 1 2 263.341 0.868 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000570204375 358833099 /nfs/dbraw/zinc/83/30/99/358833099.db2.gz QZDXDEGLFVTMGA-RISCZKNCSA-N 1 2 263.341 0.868 20 30 CCEDLO N#CCC[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000574749871 359039933 /nfs/dbraw/zinc/03/99/33/359039933.db2.gz KSIZUABEDMNODN-UHFFFAOYSA-N 1 2 267.354 0.609 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000586779356 359288846 /nfs/dbraw/zinc/28/88/46/359288846.db2.gz KIXMXWNDCOLACT-RWMBFGLXSA-N 1 2 268.357 0.509 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000586779356 359288848 /nfs/dbraw/zinc/28/88/48/359288848.db2.gz KIXMXWNDCOLACT-RWMBFGLXSA-N 1 2 268.357 0.509 20 30 CCEDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C#N)n1 ZINC000587005677 359297971 /nfs/dbraw/zinc/29/79/71/359297971.db2.gz JISPEBCFFPLKJC-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO COCCCNC(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991370 363643189 /nfs/dbraw/zinc/64/31/89/363643189.db2.gz BARMPEKFAJTUMC-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991370 363643191 /nfs/dbraw/zinc/64/31/91/363643191.db2.gz BARMPEKFAJTUMC-UHFFFAOYSA-N 1 2 276.340 0.538 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589366005 359379946 /nfs/dbraw/zinc/37/99/46/359379946.db2.gz CZQUYBBTFCVRGJ-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)n2)CCO1 ZINC000589366005 359379949 /nfs/dbraw/zinc/37/99/49/359379949.db2.gz CZQUYBBTFCVRGJ-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO Cn1cc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000589826950 359403197 /nfs/dbraw/zinc/40/31/97/359403197.db2.gz JPKZJMDLXXFOHC-CYBMUJFWSA-N 1 2 263.345 0.313 20 30 CCEDLO N#CCCN(CCC#N)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590602973 359498143 /nfs/dbraw/zinc/49/81/43/359498143.db2.gz YUTMIRQQMXFRML-UHFFFAOYSA-N 1 2 286.339 0.424 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590698485 359508750 /nfs/dbraw/zinc/50/87/50/359508750.db2.gz LVTIXKSMWGBXSO-NWDGAFQWSA-N 1 2 271.357 0.966 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590698485 359508756 /nfs/dbraw/zinc/50/87/56/359508756.db2.gz LVTIXKSMWGBXSO-NWDGAFQWSA-N 1 2 271.357 0.966 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000591914956 359692244 /nfs/dbraw/zinc/69/22/44/359692244.db2.gz MQJREMJFQODNDZ-AAEUAGOBSA-N 1 2 277.328 0.332 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000592209773 359798348 /nfs/dbraw/zinc/79/83/48/359798348.db2.gz TXAKMSNSTFBOJH-TUAOUCFPSA-N 1 2 265.313 0.286 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000592209773 359798353 /nfs/dbraw/zinc/79/83/53/359798353.db2.gz TXAKMSNSTFBOJH-TUAOUCFPSA-N 1 2 265.313 0.286 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CC(C)(C(N)=O)C1 ZINC000592136189 359763433 /nfs/dbraw/zinc/76/34/33/359763433.db2.gz ZJMHKNFVBDGVAU-JTQLQIEISA-N 1 2 286.335 0.692 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000592148929 359767476 /nfs/dbraw/zinc/76/74/76/359767476.db2.gz FMEYCPLTNNVPMI-ZDUSSCGKSA-N 1 2 290.348 0.606 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000592148929 359767478 /nfs/dbraw/zinc/76/74/78/359767478.db2.gz FMEYCPLTNNVPMI-ZDUSSCGKSA-N 1 2 290.348 0.606 20 30 CCEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149409 359769359 /nfs/dbraw/zinc/76/93/59/359769359.db2.gz OOYJKIYZUQKONB-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149409 359769362 /nfs/dbraw/zinc/76/93/62/359769362.db2.gz OOYJKIYZUQKONB-OAHLLOKOSA-N 1 2 289.335 0.984 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191092 363677439 /nfs/dbraw/zinc/67/74/39/363677439.db2.gz IFAVRDBUZGJBPL-NSHDSACASA-N 1 2 263.345 0.850 20 30 CCEDLO CCNC(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000611262334 363698934 /nfs/dbraw/zinc/69/89/34/363698934.db2.gz DLYZTBFKWJCWFX-UHFFFAOYSA-N 1 2 271.324 0.774 20 30 CCEDLO CCNC(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000611262334 363698941 /nfs/dbraw/zinc/69/89/41/363698941.db2.gz DLYZTBFKWJCWFX-UHFFFAOYSA-N 1 2 271.324 0.774 20 30 CCEDLO CCc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000593155204 360048163 /nfs/dbraw/zinc/04/81/63/360048163.db2.gz AHDXFYAXESVGGB-CYBMUJFWSA-N 1 2 263.345 0.556 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000593520503 360106482 /nfs/dbraw/zinc/10/64/82/360106482.db2.gz PKDKUWMEDSIGNX-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO N#CCCCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000594321122 360274249 /nfs/dbraw/zinc/27/42/49/360274249.db2.gz DSNDFCCVPQSKIJ-UHFFFAOYSA-N 1 2 283.372 0.223 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000595489294 360548785 /nfs/dbraw/zinc/54/87/85/360548785.db2.gz FYORYRUORXKMSC-AWEZNQCLSA-N 1 2 281.319 0.797 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595609016 360595846 /nfs/dbraw/zinc/59/58/46/360595846.db2.gz DXFUKNOGGIXRKN-NSHDSACASA-N 1 2 262.313 0.969 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595609016 360595849 /nfs/dbraw/zinc/59/58/49/360595849.db2.gz DXFUKNOGGIXRKN-NSHDSACASA-N 1 2 262.313 0.969 20 30 CCEDLO C[N@H+](C[C@H]1COCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736950 360633858 /nfs/dbraw/zinc/63/38/58/360633858.db2.gz ODJAFSARIJGKEK-KBPBESRZSA-N 1 2 289.335 0.432 20 30 CCEDLO C[N@@H+](C[C@H]1COCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595736950 360633862 /nfs/dbraw/zinc/63/38/62/360633862.db2.gz ODJAFSARIJGKEK-KBPBESRZSA-N 1 2 289.335 0.432 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834982 360672845 /nfs/dbraw/zinc/67/28/45/360672845.db2.gz ODWXUFZXAZJLQK-MFKMUULPSA-N 1 2 266.345 0.845 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834982 360672850 /nfs/dbraw/zinc/67/28/50/360672850.db2.gz ODWXUFZXAZJLQK-MFKMUULPSA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835278 360673471 /nfs/dbraw/zinc/67/34/71/360673471.db2.gz QCZFKMWLQWIXQJ-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835278 360673475 /nfs/dbraw/zinc/67/34/75/360673475.db2.gz QCZFKMWLQWIXQJ-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838366 360674306 /nfs/dbraw/zinc/67/43/06/360674306.db2.gz AZHZFKKYPUIGKI-JMSVASOKSA-N 1 2 292.383 0.334 20 30 CCEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838366 360674313 /nfs/dbraw/zinc/67/43/13/360674313.db2.gz AZHZFKKYPUIGKI-JMSVASOKSA-N 1 2 292.383 0.334 20 30 CCEDLO Cc1cc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000596478334 360905421 /nfs/dbraw/zinc/90/54/21/360905421.db2.gz KZEXAZJRPOXQKY-LLVKDONJSA-N 1 2 294.380 0.732 20 30 CCEDLO C[C@@H](CC#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000597579333 361144455 /nfs/dbraw/zinc/14/44/55/361144455.db2.gz ZCRBTSFPGUQZFG-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncncc2C#N)C1 ZINC000563884679 291256164 /nfs/dbraw/zinc/25/61/64/291256164.db2.gz LLQLSUGWMLGIRF-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncncc2C#N)C1 ZINC000563884679 291256166 /nfs/dbraw/zinc/25/61/66/291256166.db2.gz LLQLSUGWMLGIRF-NSHDSACASA-N 1 2 289.339 0.067 20 30 CCEDLO CC[C@H]1C[N@H+](CCNc2ccnc(C#N)n2)CCO1 ZINC000563898653 291258114 /nfs/dbraw/zinc/25/81/14/291258114.db2.gz NLMQBGPGBDADOW-NSHDSACASA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNc2ccnc(C#N)n2)CCO1 ZINC000563898653 291258115 /nfs/dbraw/zinc/25/81/15/291258115.db2.gz NLMQBGPGBDADOW-NSHDSACASA-N 1 2 261.329 0.293 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCN(C)CC1 ZINC000597914589 361281193 /nfs/dbraw/zinc/28/11/93/361281193.db2.gz WOLQDRSBDWCKRG-KBPBESRZSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cnccc2C#N)[C@H](C)CO1 ZINC000597994089 361302107 /nfs/dbraw/zinc/30/21/07/361302107.db2.gz IINDSANWBDVOGD-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnccc2C#N)[C@H](C)CO1 ZINC000597994089 361302115 /nfs/dbraw/zinc/30/21/15/361302115.db2.gz IINDSANWBDVOGD-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH]c[nH+]c1C ZINC000611795343 363784037 /nfs/dbraw/zinc/78/40/37/363784037.db2.gz QAEZNJKNUBRROY-NSHDSACASA-N 1 2 264.329 0.805 20 30 CCEDLO CC[C@@](COC)([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598620676 361462187 /nfs/dbraw/zinc/46/21/87/361462187.db2.gz MXHZHMIFVUXNFU-FZMZJTMJSA-N 1 2 286.372 0.845 20 30 CCEDLO N#Cc1cncnc1NC1CC([NH+]2CCOCC2)C1 ZINC000599094438 361571664 /nfs/dbraw/zinc/57/16/64/361571664.db2.gz IJOBCHOMJYXPII-UHFFFAOYSA-N 1 2 259.313 0.045 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC000598947600 361537909 /nfs/dbraw/zinc/53/79/09/361537909.db2.gz LUROHSKDSROHNG-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598949635 361539906 /nfs/dbraw/zinc/53/99/06/361539906.db2.gz ZPEWTNJZPPGDGM-NSHDSACASA-N 1 2 267.292 0.813 20 30 CCEDLO COC(=O)CCNC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000599170248 361597253 /nfs/dbraw/zinc/59/72/53/361597253.db2.gz SAVBNWOVGLBVDC-UHFFFAOYSA-N 1 2 290.323 0.165 20 30 CCEDLO C#CC[NH+]1CCN(Cc2n[nH]cc2Br)CC1 ZINC001139025857 799774802 /nfs/dbraw/zinc/77/48/02/799774802.db2.gz TVQNIACAQRYERO-UHFFFAOYSA-N 1 2 283.173 0.923 20 30 CCEDLO Cn1c(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(=O)n(C)c1=O ZINC000612163428 363858725 /nfs/dbraw/zinc/85/87/25/363858725.db2.gz QRJXIZAJCIEGDF-AWEZNQCLSA-N 1 2 276.340 0.210 20 30 CCEDLO Cn1c(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(=O)n(C)c1=O ZINC000612163428 363858727 /nfs/dbraw/zinc/85/87/27/363858727.db2.gz QRJXIZAJCIEGDF-AWEZNQCLSA-N 1 2 276.340 0.210 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@@H+](CCC#N)CCOC ZINC000613257127 364184682 /nfs/dbraw/zinc/18/46/82/364184682.db2.gz HMAHPIZDIQRYDR-GFCCVEGCSA-N 1 2 258.318 0.163 20 30 CCEDLO CCOC(=O)[C@](C)(O)C[N@H+](CCC#N)CCOC ZINC000613257127 364184686 /nfs/dbraw/zinc/18/46/86/364184686.db2.gz HMAHPIZDIQRYDR-GFCCVEGCSA-N 1 2 258.318 0.163 20 30 CCEDLO C=C[C@](C)(O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000614178070 364521804 /nfs/dbraw/zinc/52/18/04/364521804.db2.gz JIFFITQVJUDEJK-YPMHNXCESA-N 1 2 256.346 0.103 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614662272 364695998 /nfs/dbraw/zinc/69/59/98/364695998.db2.gz YKWAAMRKMHRPSK-ABAIWWIYSA-N 1 2 293.367 0.094 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615546093 365000417 /nfs/dbraw/zinc/00/04/17/365000417.db2.gz FQAPJKREFGUALT-TZMCWYRMSA-N 1 2 297.378 0.269 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000615551072 365003358 /nfs/dbraw/zinc/00/33/58/365003358.db2.gz GQIUNGKVCCITKD-MFKMUULPSA-N 1 2 277.303 0.845 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565158216 291348949 /nfs/dbraw/zinc/34/89/49/291348949.db2.gz RFCBQESLONQRKD-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565158216 291348950 /nfs/dbraw/zinc/34/89/50/291348950.db2.gz RFCBQESLONQRKD-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C=CCNC(=O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621944743 366940795 /nfs/dbraw/zinc/94/07/95/366940795.db2.gz RMSALHLPSBKCCW-UHFFFAOYSA-N 1 2 250.302 0.106 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000565247411 291366311 /nfs/dbraw/zinc/36/63/11/291366311.db2.gz ZQSBTTCOXNEFDC-LLVKDONJSA-N 1 2 287.316 0.473 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255231 367491381 /nfs/dbraw/zinc/49/13/81/367491381.db2.gz WMQJFXYKKWLGCQ-DGCLKSJQSA-N 1 2 276.340 0.395 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298768 367522200 /nfs/dbraw/zinc/52/22/00/367522200.db2.gz JGBIFNXXCOFXOY-UHTWSYAYSA-N 1 2 261.325 0.905 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC(C)(C)C)C1=O ZINC000625388034 368177536 /nfs/dbraw/zinc/17/75/36/368177536.db2.gz ACEYWZQAAAYYPI-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C1=O ZINC000625388034 368177538 /nfs/dbraw/zinc/17/75/38/368177538.db2.gz ACEYWZQAAAYYPI-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCn1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)nn1 ZINC000627942337 369143117 /nfs/dbraw/zinc/14/31/17/369143117.db2.gz PGGYKVHFMLEBDW-UHFFFAOYSA-N 1 2 291.355 0.057 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC(C)C)nn1 ZINC000656447947 412799947 /nfs/dbraw/zinc/79/99/47/412799947.db2.gz PULWDRGCKGMRMM-NSHDSACASA-N 1 2 263.345 0.477 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](CO)C2(OC)CCC2)nn1 ZINC000656463398 412805585 /nfs/dbraw/zinc/80/55/85/412805585.db2.gz NZJWLGSKYZIDEI-CYBMUJFWSA-N 1 2 278.356 0.494 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637231738 374031387 /nfs/dbraw/zinc/03/13/87/374031387.db2.gz NTXGFYQKNBXKSH-LOWVWBTDSA-N 1 2 276.340 0.698 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3nnc(NC)cc3C2)C1=O ZINC000685000618 545781850 /nfs/dbraw/zinc/78/18/50/545781850.db2.gz UPVFEPIKPMUTSI-CYBMUJFWSA-N 1 2 287.367 0.663 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCc3nnc(NC)cc3C2)C1=O ZINC000685000618 545781855 /nfs/dbraw/zinc/78/18/55/545781855.db2.gz UPVFEPIKPMUTSI-CYBMUJFWSA-N 1 2 287.367 0.663 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)N(C)C)C1=O ZINC000685000732 545782295 /nfs/dbraw/zinc/78/22/95/545782295.db2.gz PZMCCMJHDOYGPC-LLVKDONJSA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)N(C)C)C1=O ZINC000685000732 545782303 /nfs/dbraw/zinc/78/23/03/545782303.db2.gz PZMCCMJHDOYGPC-LLVKDONJSA-N 1 2 253.346 0.183 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCC(F)(F)F)nn1 ZINC000640797781 376549876 /nfs/dbraw/zinc/54/98/76/376549876.db2.gz DWVLFOFXWFYYDP-UHFFFAOYSA-N 1 2 289.261 0.070 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC(C)CC2)nn1 ZINC000640777184 376532859 /nfs/dbraw/zinc/53/28/59/376532859.db2.gz ZUHLEFWLGOOVTR-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(CC)no2)nn1 ZINC000640933955 376622454 /nfs/dbraw/zinc/62/24/54/376622454.db2.gz OHRKIUKBKFTLLO-SNVBAGLBSA-N 1 2 274.328 0.946 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn(C)nc2C)nn1 ZINC000641141856 376804533 /nfs/dbraw/zinc/80/45/33/376804533.db2.gz SOQDZUUTFIDTLU-UHFFFAOYSA-N 1 2 258.329 0.481 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000657089436 412885889 /nfs/dbraw/zinc/88/58/89/412885889.db2.gz KGGYNRRPOJGVFH-STQMWFEESA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000657089436 412885891 /nfs/dbraw/zinc/88/58/91/412885891.db2.gz KGGYNRRPOJGVFH-STQMWFEESA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000657088857 412886094 /nfs/dbraw/zinc/88/60/94/412886094.db2.gz GPYFGBBMEAKMRA-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000657088857 412886096 /nfs/dbraw/zinc/88/60/96/412886096.db2.gz GPYFGBBMEAKMRA-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO COC(=O)[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)C(C)C ZINC000351624470 291759242 /nfs/dbraw/zinc/75/92/42/291759242.db2.gz XZKCZTAFMRANJD-CYBMUJFWSA-N 1 2 295.383 0.926 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288889346 197185932 /nfs/dbraw/zinc/18/59/32/197185932.db2.gz GKXDHKWSJRWQJL-LLVKDONJSA-N 1 2 274.324 0.092 20 30 CCEDLO C=CC[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000116941706 260008836 /nfs/dbraw/zinc/00/88/36/260008836.db2.gz FXJZWHQPDKARRG-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000116941708 260008707 /nfs/dbraw/zinc/00/87/07/260008707.db2.gz FXJZWHQPDKARRG-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)nn2)C1=O ZINC000282471950 388754497 /nfs/dbraw/zinc/75/44/97/388754497.db2.gz KTDRGVNLZWDBOB-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)nn2)C1=O ZINC000282471950 388754500 /nfs/dbraw/zinc/75/45/00/388754500.db2.gz KTDRGVNLZWDBOB-GFCCVEGCSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000022812990 388797354 /nfs/dbraw/zinc/79/73/54/388797354.db2.gz NSHTXVXJOTUBHN-UHFFFAOYSA-N 1 2 294.424 0.871 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000282979310 388760870 /nfs/dbraw/zinc/76/08/70/388760870.db2.gz SWRMYPHYYLIEEN-ZDUSSCGKSA-N 1 2 276.340 0.658 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000282979310 388760872 /nfs/dbraw/zinc/76/08/72/388760872.db2.gz SWRMYPHYYLIEEN-ZDUSSCGKSA-N 1 2 276.340 0.658 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000283838963 388770511 /nfs/dbraw/zinc/77/05/11/388770511.db2.gz HCVBQUCTZLXOPS-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286616539 388843962 /nfs/dbraw/zinc/84/39/62/388843962.db2.gz QTBBKDWRXQWKPB-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000029529382 388826838 /nfs/dbraw/zinc/82/68/38/388826838.db2.gz NCIFWOXHZVDECD-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)C#N ZINC000186416636 388835813 /nfs/dbraw/zinc/83/58/13/388835813.db2.gz IFEJCIDWMSLWGC-VIFPVBQESA-N 1 2 250.302 0.846 20 30 CCEDLO C#CC[NH+]1CCN(c2nccn(C(F)F)c2=O)CC1 ZINC000288125815 388858361 /nfs/dbraw/zinc/85/83/61/388858361.db2.gz MBSNHBBJXYXEJC-UHFFFAOYSA-N 1 2 268.267 0.394 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCC1 ZINC000044318213 388870503 /nfs/dbraw/zinc/87/05/03/388870503.db2.gz YMVVBTLIZRZYEH-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000044740338 388871957 /nfs/dbraw/zinc/87/19/57/388871957.db2.gz PPPMRQUAEGFNBB-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C(N)=O)C1 ZINC000187408165 388881043 /nfs/dbraw/zinc/88/10/43/388881043.db2.gz BBUWMRJFGADVMB-GMXABZIVSA-N 1 2 292.383 0.381 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C(N)=O)C1 ZINC000187408165 388881046 /nfs/dbraw/zinc/88/10/46/388881046.db2.gz BBUWMRJFGADVMB-GMXABZIVSA-N 1 2 292.383 0.381 20 30 CCEDLO CSC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000187915112 388902357 /nfs/dbraw/zinc/90/23/57/388902357.db2.gz AJBKIBFDLLIAEW-CYBMUJFWSA-N 1 2 287.429 0.258 20 30 CCEDLO CSC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000187915112 388902361 /nfs/dbraw/zinc/90/23/61/388902361.db2.gz AJBKIBFDLLIAEW-CYBMUJFWSA-N 1 2 287.429 0.258 20 30 CCEDLO CSC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000187915112 388902363 /nfs/dbraw/zinc/90/23/63/388902363.db2.gz AJBKIBFDLLIAEW-CYBMUJFWSA-N 1 2 287.429 0.258 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000290604137 388907869 /nfs/dbraw/zinc/90/78/69/388907869.db2.gz NJHHDIIFGRJLLB-CQSZACIVSA-N 1 2 290.363 0.796 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000071845342 388959142 /nfs/dbraw/zinc/95/91/42/388959142.db2.gz KJFVKJUPXKZYSC-UHFFFAOYSA-N 1 2 289.379 0.514 20 30 CCEDLO C#CC[N@@H+](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066539061 388945575 /nfs/dbraw/zinc/94/55/75/388945575.db2.gz ZSSKNZLTXSECIU-GFCCVEGCSA-N 1 2 259.371 0.534 20 30 CCEDLO C#CC[N@H+](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066539061 388945577 /nfs/dbraw/zinc/94/55/77/388945577.db2.gz ZSSKNZLTXSECIU-GFCCVEGCSA-N 1 2 259.371 0.534 20 30 CCEDLO CN(CC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000068972009 388949888 /nfs/dbraw/zinc/94/98/88/388949888.db2.gz VZAMJMQDALNTSO-UHFFFAOYSA-N 1 2 276.340 0.379 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1c[nH+]ccc1OC ZINC000293111022 388979024 /nfs/dbraw/zinc/97/90/24/388979024.db2.gz UGYLHXNFIGSSRE-UHFFFAOYSA-N 1 2 278.312 0.192 20 30 CCEDLO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000293400050 388982789 /nfs/dbraw/zinc/98/27/89/388982789.db2.gz HKBTWQOYAAFLKH-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NCCOc1ccccc1 ZINC000076186040 388985936 /nfs/dbraw/zinc/98/59/36/388985936.db2.gz XTIRBAPCFPTBOA-UHFFFAOYSA-N 1 2 270.332 0.750 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000191007776 389003429 /nfs/dbraw/zinc/00/34/29/389003429.db2.gz SMICFDJSXIWQJN-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000192221671 389027853 /nfs/dbraw/zinc/02/78/53/389027853.db2.gz WVQALCMSQDTHOJ-RYUDHWBXSA-N 1 2 265.357 0.956 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000192221671 389027858 /nfs/dbraw/zinc/02/78/58/389027858.db2.gz WVQALCMSQDTHOJ-RYUDHWBXSA-N 1 2 265.357 0.956 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000336916100 389031809 /nfs/dbraw/zinc/03/18/09/389031809.db2.gz MJHYUKRJWQWBJQ-UHFFFAOYSA-N 1 2 286.401 0.247 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000191129478 389006719 /nfs/dbraw/zinc/00/67/19/389006719.db2.gz LLQMCKCPSJJDAD-JTQLQIEISA-N 1 2 280.376 0.715 20 30 CCEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000191129478 389006724 /nfs/dbraw/zinc/00/67/24/389006724.db2.gz LLQMCKCPSJJDAD-JTQLQIEISA-N 1 2 280.376 0.715 20 30 CCEDLO O=C1NC[C@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000192062600 389025228 /nfs/dbraw/zinc/02/52/28/389025228.db2.gz IKDOTKPDAKTQOF-AWEZNQCLSA-N 1 2 255.321 0.748 20 30 CCEDLO O=C1NC[C@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000192062600 389025232 /nfs/dbraw/zinc/02/52/32/389025232.db2.gz IKDOTKPDAKTQOF-AWEZNQCLSA-N 1 2 255.321 0.748 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)C(C)C)C1=O ZINC000337203147 389055193 /nfs/dbraw/zinc/05/51/93/389055193.db2.gz GBVIGHVFHWKJCC-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)C(C)C)C1=O ZINC000337203147 389055197 /nfs/dbraw/zinc/05/51/97/389055197.db2.gz GBVIGHVFHWKJCC-CHWSQXEVSA-N 1 2 281.400 0.866 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)c1cnn(C)c1C#N ZINC000355439175 389078235 /nfs/dbraw/zinc/07/82/35/389078235.db2.gz FLSPBHVGEHGYMR-UHFFFAOYSA-N 1 2 257.253 0.948 20 30 CCEDLO CC[N@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000304019007 389082169 /nfs/dbraw/zinc/08/21/69/389082169.db2.gz XMFDHJGDOSNILJ-QPSCCSFWSA-N 1 2 283.416 0.938 20 30 CCEDLO CC[N@@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000304019007 389082172 /nfs/dbraw/zinc/08/21/72/389082172.db2.gz XMFDHJGDOSNILJ-QPSCCSFWSA-N 1 2 283.416 0.938 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000305772362 389088828 /nfs/dbraw/zinc/08/88/28/389088828.db2.gz KYSRMXKNTNJMOS-MWLCHTKSSA-N 1 2 293.289 0.650 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000305772362 389088831 /nfs/dbraw/zinc/08/88/31/389088831.db2.gz KYSRMXKNTNJMOS-MWLCHTKSSA-N 1 2 293.289 0.650 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328896817 389143814 /nfs/dbraw/zinc/14/38/14/389143814.db2.gz CFHSFFDTTSBUOM-GFCCVEGCSA-N 1 2 285.388 0.384 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338588672 389112754 /nfs/dbraw/zinc/11/27/54/389112754.db2.gz ZEDQKQDLNWXUOL-DGCLKSJQSA-N 1 2 271.336 0.401 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338588672 389112756 /nfs/dbraw/zinc/11/27/56/389112756.db2.gz ZEDQKQDLNWXUOL-DGCLKSJQSA-N 1 2 271.336 0.401 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338884665 389118749 /nfs/dbraw/zinc/11/87/49/389118749.db2.gz YNPFRMHMNJGJJZ-CHWSQXEVSA-N 1 2 292.383 0.347 20 30 CCEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1c(C)noc1C ZINC000112335484 389123727 /nfs/dbraw/zinc/12/37/27/389123727.db2.gz RZRSQHQTOMONFN-UHFFFAOYSA-N 1 2 268.317 0.995 20 30 CCEDLO C=CCOCC[N@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000339199262 389128306 /nfs/dbraw/zinc/12/83/06/389128306.db2.gz OBPYGETVPONHKG-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000339199262 389128308 /nfs/dbraw/zinc/12/83/08/389128308.db2.gz OBPYGETVPONHKG-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000357832907 389139281 /nfs/dbraw/zinc/13/92/81/389139281.db2.gz RCCIRQQIMSISOS-NSHDSACASA-N 1 2 274.324 0.694 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000329649939 389181984 /nfs/dbraw/zinc/18/19/84/389181984.db2.gz CAIPWXQYBXNXNA-QWHCGFSZSA-N 1 2 283.372 0.138 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000329649939 389181990 /nfs/dbraw/zinc/18/19/90/389181990.db2.gz CAIPWXQYBXNXNA-QWHCGFSZSA-N 1 2 283.372 0.138 20 30 CCEDLO Cc1nc(NCCCC#N)nc(NCCCC#N)[nH+]1 ZINC000359712665 389182378 /nfs/dbraw/zinc/18/23/78/389182378.db2.gz AIJAXIPOFTUOPZ-UHFFFAOYSA-N 1 2 259.317 0.455 20 30 CCEDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1nncs1 ZINC000329680177 389187181 /nfs/dbraw/zinc/18/71/81/389187181.db2.gz XSCWFQJLNCSZML-XHNCKOQMSA-N 1 2 268.342 0.829 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1nncs1 ZINC000329680177 389187184 /nfs/dbraw/zinc/18/71/84/389187184.db2.gz XSCWFQJLNCSZML-XHNCKOQMSA-N 1 2 268.342 0.829 20 30 CCEDLO Cc1nc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)ccc1C#N ZINC000329724766 389192828 /nfs/dbraw/zinc/19/28/28/389192828.db2.gz OBPPRZXJQNDQAI-CYBMUJFWSA-N 1 2 296.334 0.984 20 30 CCEDLO Cn1ccnc(N2CC[NH+](CC(=O)NC3CC3)CC2)c1=O ZINC000329741965 389195079 /nfs/dbraw/zinc/19/50/79/389195079.db2.gz PBEVIFOPWUPIQU-UHFFFAOYSA-N 1 2 291.355 0.021 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329782010 389200377 /nfs/dbraw/zinc/20/03/77/389200377.db2.gz UAYMPTRZCSJWJZ-RWMBFGLXSA-N 1 2 283.372 0.484 20 30 CCEDLO C=CCCOCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000122168095 389150967 /nfs/dbraw/zinc/15/09/67/389150967.db2.gz MJCQJULXHITMRR-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000122597572 389152733 /nfs/dbraw/zinc/15/27/33/389152733.db2.gz XPOFZWMEAFPKKI-UHFFFAOYSA-N 1 2 264.329 0.094 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000358612202 389155868 /nfs/dbraw/zinc/15/58/68/389155868.db2.gz YQJQYOAHOFXHAC-NSHDSACASA-N 1 2 264.329 0.494 20 30 CCEDLO C=C(CC)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000358630327 389156578 /nfs/dbraw/zinc/15/65/78/389156578.db2.gz NPSGWDYGIXZBOC-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nncn1C ZINC000358821890 389160657 /nfs/dbraw/zinc/16/06/57/389160657.db2.gz KAXCPQXQROJOJH-NSHDSACASA-N 1 2 290.371 0.808 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125212069 389164291 /nfs/dbraw/zinc/16/42/91/389164291.db2.gz IKOSBIRTTHQRPX-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125212069 389164294 /nfs/dbraw/zinc/16/42/94/389164294.db2.gz IKOSBIRTTHQRPX-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359056071 389166078 /nfs/dbraw/zinc/16/60/78/389166078.db2.gz MWBGAEADVIQUPS-UHFFFAOYSA-N 1 2 258.281 0.883 20 30 CCEDLO O=C(NCCn1ncnn1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329520663 389167884 /nfs/dbraw/zinc/16/78/84/389167884.db2.gz FLHWRVAMKZTEHV-GFCCVEGCSA-N 1 2 294.359 0.273 20 30 CCEDLO O=C(NCCn1ncnn1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329520663 389167885 /nfs/dbraw/zinc/16/78/85/389167885.db2.gz FLHWRVAMKZTEHV-GFCCVEGCSA-N 1 2 294.359 0.273 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[C@H]1O ZINC000329542864 389170242 /nfs/dbraw/zinc/17/02/42/389170242.db2.gz NVKNOBCUCSBWCM-IJLUTSLNSA-N 1 2 278.356 0.957 20 30 CCEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCOC1 ZINC000329544086 389170477 /nfs/dbraw/zinc/17/04/77/389170477.db2.gz OGNWWNFPRSTWJO-QWRGUYRKSA-N 1 2 264.329 0.881 20 30 CCEDLO [O-]C(N[C@H]1CCCOC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329544086 389170480 /nfs/dbraw/zinc/17/04/80/389170480.db2.gz OGNWWNFPRSTWJO-QWRGUYRKSA-N 1 2 264.329 0.881 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000126736533 389171627 /nfs/dbraw/zinc/17/16/27/389171627.db2.gz OGWXRGGPYLPGDB-BBATYDOGSA-N 1 2 273.402 0.447 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000126736533 389171628 /nfs/dbraw/zinc/17/16/28/389171628.db2.gz OGWXRGGPYLPGDB-BBATYDOGSA-N 1 2 273.402 0.447 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CC1 ZINC000329598187 389173935 /nfs/dbraw/zinc/17/39/35/389173935.db2.gz DAEOVAALTRGVHN-SECBINFHSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CC1 ZINC000329598187 389173938 /nfs/dbraw/zinc/17/39/38/389173938.db2.gz DAEOVAALTRGVHN-SECBINFHSA-N 1 2 264.329 0.638 20 30 CCEDLO C[C@@H]1COCC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000329600529 389174179 /nfs/dbraw/zinc/17/41/79/389174179.db2.gz KDWBVVYMTOBECD-MWLCHTKSSA-N 1 2 252.318 0.849 20 30 CCEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000133943530 389240600 /nfs/dbraw/zinc/24/06/00/389240600.db2.gz ZNLYSAKYTITDNC-UHFFFAOYSA-N 1 2 293.371 0.228 20 30 CCEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000133943530 389240602 /nfs/dbraw/zinc/24/06/02/389240602.db2.gz ZNLYSAKYTITDNC-UHFFFAOYSA-N 1 2 293.371 0.228 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248409740 389245191 /nfs/dbraw/zinc/24/51/91/389245191.db2.gz CTVPIXRZVZMIRB-QWHCGFSZSA-N 1 2 295.383 0.022 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248409740 389245193 /nfs/dbraw/zinc/24/51/93/389245193.db2.gz CTVPIXRZVZMIRB-QWHCGFSZSA-N 1 2 295.383 0.022 20 30 CCEDLO CN(C)c1cnc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000330615134 389246556 /nfs/dbraw/zinc/24/65/56/389246556.db2.gz CEIDJQKIXNBDSD-UHFFFAOYSA-N 1 2 279.344 0.179 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000248825882 389250497 /nfs/dbraw/zinc/25/04/97/389250497.db2.gz GPTMQLMDMPCDAJ-KBPBESRZSA-N 1 2 293.367 0.381 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000248825882 389250501 /nfs/dbraw/zinc/25/05/01/389250501.db2.gz GPTMQLMDMPCDAJ-KBPBESRZSA-N 1 2 293.367 0.381 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]4C(=O)NC[C@H]43)n2c1 ZINC000342848252 389254524 /nfs/dbraw/zinc/25/45/24/389254524.db2.gz AGXGZGNWWMIHFI-ZIAGYGMSSA-N 1 2 295.346 0.916 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)n2c1 ZINC000342848252 389254526 /nfs/dbraw/zinc/25/45/26/389254526.db2.gz AGXGZGNWWMIHFI-ZIAGYGMSSA-N 1 2 295.346 0.916 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000249724059 389258712 /nfs/dbraw/zinc/25/87/12/389258712.db2.gz OMWFCMQYXWNCAY-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000249724059 389258714 /nfs/dbraw/zinc/25/87/14/389258714.db2.gz OMWFCMQYXWNCAY-RYUDHWBXSA-N 1 2 253.346 0.715 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000135943828 389262711 /nfs/dbraw/zinc/26/27/11/389262711.db2.gz VRLKQPHUXLYDAZ-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000343315339 389264166 /nfs/dbraw/zinc/26/41/66/389264166.db2.gz PJWQYMOZRNDEAH-SNVBAGLBSA-N 1 2 257.359 0.291 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000343315339 389264168 /nfs/dbraw/zinc/26/41/68/389264168.db2.gz PJWQYMOZRNDEAH-SNVBAGLBSA-N 1 2 257.359 0.291 20 30 CCEDLO CC(C)CO[C@@H](C)c1noc(CO[NH+]=C(N)CCO)n1 ZINC000136070710 389264296 /nfs/dbraw/zinc/26/42/96/389264296.db2.gz MCCAIKMQQDJTAK-VIFPVBQESA-N 1 2 286.332 0.974 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1COCCO1 ZINC000329910356 389210263 /nfs/dbraw/zinc/21/02/63/389210263.db2.gz VUCTVIAXRHIDAQ-NSHDSACASA-N 1 2 270.329 0.223 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCOCC3CC3)C[C@H]21 ZINC000329957084 389214315 /nfs/dbraw/zinc/21/43/15/389214315.db2.gz PYZULHXXFKJBMW-CHWSQXEVSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCOCC3CC3)C[C@H]21 ZINC000329957084 389214318 /nfs/dbraw/zinc/21/43/18/389214318.db2.gz PYZULHXXFKJBMW-CHWSQXEVSA-N 1 2 283.372 0.342 20 30 CCEDLO C=C(C)CN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361815666 389224866 /nfs/dbraw/zinc/22/48/66/389224866.db2.gz PWNLFPLJGIWLIQ-UHFFFAOYSA-N 1 2 276.402 0.546 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCCC#N ZINC000361865398 389225806 /nfs/dbraw/zinc/22/58/06/389225806.db2.gz MSXGFCFZJGIJFV-WDEREUQCSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCCC#N ZINC000361865398 389225809 /nfs/dbraw/zinc/22/58/09/389225809.db2.gz MSXGFCFZJGIJFV-WDEREUQCSA-N 1 2 268.313 0.717 20 30 CCEDLO CCNC(=O)CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330437475 389229621 /nfs/dbraw/zinc/22/96/21/389229621.db2.gz BLQVRVSVFGIRBJ-UHFFFAOYSA-N 1 2 279.344 0.359 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246907251 389233491 /nfs/dbraw/zinc/23/34/91/389233491.db2.gz FWBQYJUWFNQJQB-FKIZINRSSA-N 1 2 292.404 0.994 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246907251 389233493 /nfs/dbraw/zinc/23/34/93/389233493.db2.gz FWBQYJUWFNQJQB-FKIZINRSSA-N 1 2 292.404 0.994 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000330509377 389236742 /nfs/dbraw/zinc/23/67/42/389236742.db2.gz PPNCVLXXNBRGRW-GFCCVEGCSA-N 1 2 293.371 0.997 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000330509377 389236745 /nfs/dbraw/zinc/23/67/45/389236745.db2.gz PPNCVLXXNBRGRW-GFCCVEGCSA-N 1 2 293.371 0.997 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000345721811 389313303 /nfs/dbraw/zinc/31/33/03/389313303.db2.gz LVCVLHXUZPBJPF-ZNMIVQPWSA-N 1 2 295.427 0.720 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345798114 389314745 /nfs/dbraw/zinc/31/47/45/389314745.db2.gz XVAMSTMOXXHRKK-NSHDSACASA-N 1 2 280.372 0.394 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345798114 389314747 /nfs/dbraw/zinc/31/47/47/389314747.db2.gz XVAMSTMOXXHRKK-NSHDSACASA-N 1 2 280.372 0.394 20 30 CCEDLO CC#CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343877051 389274881 /nfs/dbraw/zinc/27/48/81/389274881.db2.gz UALAIRUQHBEGFZ-UHFFFAOYSA-N 1 2 273.336 0.667 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000365836636 389287703 /nfs/dbraw/zinc/28/77/03/389287703.db2.gz IJSAPTURVWOLQJ-CYBMUJFWSA-N 1 2 283.372 0.486 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000365836636 389287704 /nfs/dbraw/zinc/28/77/04/389287704.db2.gz IJSAPTURVWOLQJ-CYBMUJFWSA-N 1 2 283.372 0.486 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331048429 389296256 /nfs/dbraw/zinc/29/62/56/389296256.db2.gz JOKKRHIYGYEMGO-SECBINFHSA-N 1 2 281.312 0.431 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331048429 389296259 /nfs/dbraw/zinc/29/62/59/389296259.db2.gz JOKKRHIYGYEMGO-SECBINFHSA-N 1 2 281.312 0.431 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC000345371515 389305088 /nfs/dbraw/zinc/30/50/88/389305088.db2.gz AZXLSVDUYXFLSK-NSHDSACASA-N 1 2 276.340 0.679 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266884964 389367834 /nfs/dbraw/zinc/36/78/34/389367834.db2.gz ZHZNCBCNMWBKKV-WCBMZHEXSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266884964 389367838 /nfs/dbraw/zinc/36/78/38/389367838.db2.gz ZHZNCBCNMWBKKV-WCBMZHEXSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000267418648 389370250 /nfs/dbraw/zinc/37/02/50/389370250.db2.gz LYKHHKKIOINVOP-MNOVXSKESA-N 1 2 269.345 0.474 20 30 CCEDLO Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)c(C#N)c[nH+]1 ZINC000333460410 389413895 /nfs/dbraw/zinc/41/38/95/389413895.db2.gz LLOQJZONCWETPV-CQSZACIVSA-N 1 2 256.309 0.978 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cncnc2C1 ZINC000332733004 389361932 /nfs/dbraw/zinc/36/19/32/389361932.db2.gz WOSKYTRLKRIYCV-SNVBAGLBSA-N 1 2 289.339 0.235 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cncnc2C1 ZINC000332733004 389361935 /nfs/dbraw/zinc/36/19/35/389361935.db2.gz WOSKYTRLKRIYCV-SNVBAGLBSA-N 1 2 289.339 0.235 20 30 CCEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)NCCC)C1CC1 ZINC000274167877 389493557 /nfs/dbraw/zinc/49/35/57/389493557.db2.gz NCRWJCKAWXMQBK-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)NCCC)C1CC1 ZINC000274167877 389493560 /nfs/dbraw/zinc/49/35/60/389493560.db2.gz NCRWJCKAWXMQBK-UHFFFAOYSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373401794 389478764 /nfs/dbraw/zinc/47/87/64/389478764.db2.gz BUUZCELORVKQJU-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373401794 389478769 /nfs/dbraw/zinc/47/87/69/389478769.db2.gz BUUZCELORVKQJU-SGMGOOAPSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC000274040756 389480107 /nfs/dbraw/zinc/48/01/07/389480107.db2.gz FETQZDJAQMRRMM-ZDUSSCGKSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC000274040756 389480111 /nfs/dbraw/zinc/48/01/11/389480111.db2.gz FETQZDJAQMRRMM-ZDUSSCGKSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000274104356 389484505 /nfs/dbraw/zinc/48/45/05/389484505.db2.gz UDLSNUIIPWLPDX-UHFFFAOYSA-N 1 2 252.314 0.106 20 30 CCEDLO N#C[C@@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC12CCCC2 ZINC000333582388 389429986 /nfs/dbraw/zinc/42/99/86/389429986.db2.gz RPXUTVQUCJZUKP-XJKSGUPXSA-N 1 2 288.395 0.576 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371816342 389438980 /nfs/dbraw/zinc/43/89/80/389438980.db2.gz NORNGTMVNOMYER-AWEZNQCLSA-N 1 2 279.384 0.203 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371816342 389438981 /nfs/dbraw/zinc/43/89/81/389438981.db2.gz NORNGTMVNOMYER-AWEZNQCLSA-N 1 2 279.384 0.203 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000373797630 389515981 /nfs/dbraw/zinc/51/59/81/389515981.db2.gz OTBGQTGIAJHFAR-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000373797630 389515983 /nfs/dbraw/zinc/51/59/83/389515983.db2.gz OTBGQTGIAJHFAR-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)cn1C ZINC000175666122 389544445 /nfs/dbraw/zinc/54/44/45/389544445.db2.gz BCNKXZSERXYPFA-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277970815 389558700 /nfs/dbraw/zinc/55/87/00/389558700.db2.gz YUYXXAMKVHMYBJ-NSHDSACASA-N 1 2 264.329 0.662 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277970815 389558703 /nfs/dbraw/zinc/55/87/03/389558703.db2.gz YUYXXAMKVHMYBJ-NSHDSACASA-N 1 2 264.329 0.662 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)C1CC1 ZINC000274219206 389500967 /nfs/dbraw/zinc/50/09/67/389500967.db2.gz UXQCFEFPJROCIF-CYBMUJFWSA-N 1 2 292.379 0.886 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)C1CC1 ZINC000274219206 389500971 /nfs/dbraw/zinc/50/09/71/389500971.db2.gz UXQCFEFPJROCIF-CYBMUJFWSA-N 1 2 292.379 0.886 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274741598 389505183 /nfs/dbraw/zinc/50/51/83/389505183.db2.gz FEWZYHIBRYTWIY-NSHDSACASA-N 1 2 291.355 0.104 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274741598 389505185 /nfs/dbraw/zinc/50/51/85/389505185.db2.gz FEWZYHIBRYTWIY-NSHDSACASA-N 1 2 291.355 0.104 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@@H]2CCC)C1=O ZINC000281140503 389609162 /nfs/dbraw/zinc/60/91/62/389609162.db2.gz APPZYAPBIBSWCW-RYUDHWBXSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@@H]2CCC)C1=O ZINC000281140503 389609165 /nfs/dbraw/zinc/60/91/65/389609165.db2.gz APPZYAPBIBSWCW-RYUDHWBXSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CC)CC)C1=O ZINC000281527717 389618979 /nfs/dbraw/zinc/61/89/79/389618979.db2.gz ZUFUIAOXUNVFKV-OLZOCXBDSA-N 1 2 281.400 0.962 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CC)CC)C1=O ZINC000281527717 389618982 /nfs/dbraw/zinc/61/89/82/389618982.db2.gz ZUFUIAOXUNVFKV-OLZOCXBDSA-N 1 2 281.400 0.962 20 30 CCEDLO COc1ccc(CC(N)=[NH+]OCc2ncnn2C)cc1 ZINC000177671732 389589813 /nfs/dbraw/zinc/58/98/13/389589813.db2.gz SKEWBDRJOVVFCP-UHFFFAOYSA-N 1 2 275.312 0.855 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280134365 389597963 /nfs/dbraw/zinc/59/79/63/389597963.db2.gz QSPAXIZUFDQNKB-STQMWFEESA-N 1 2 291.399 0.399 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280134365 389597964 /nfs/dbraw/zinc/59/79/64/389597964.db2.gz QSPAXIZUFDQNKB-STQMWFEESA-N 1 2 291.399 0.399 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000182627703 389712067 /nfs/dbraw/zinc/71/20/67/389712067.db2.gz UFBQAPWYTBXEHB-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000182627703 389712070 /nfs/dbraw/zinc/71/20/70/389712070.db2.gz UFBQAPWYTBXEHB-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000351754076 389673095 /nfs/dbraw/zinc/67/30/95/389673095.db2.gz YHESGPOGDGYZCN-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000351754076 389673096 /nfs/dbraw/zinc/67/30/96/389673096.db2.gz YHESGPOGDGYZCN-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374203 389695350 /nfs/dbraw/zinc/69/53/50/389695350.db2.gz NPTUSAXCFCSHRU-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374203 389695352 /nfs/dbraw/zinc/69/53/52/389695352.db2.gz NPTUSAXCFCSHRU-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO Cc1cc(N[C@H]2CCCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399549200 389792027 /nfs/dbraw/zinc/79/20/27/389792027.db2.gz CJZYLYBGUVUTCL-NSHDSACASA-N 1 2 265.338 0.673 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352358149 389796975 /nfs/dbraw/zinc/79/69/75/389796975.db2.gz SIMJQHZUEBSMPC-LLVKDONJSA-N 1 2 293.371 0.735 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1CC ZINC000352358149 389796980 /nfs/dbraw/zinc/79/69/80/389796980.db2.gz SIMJQHZUEBSMPC-LLVKDONJSA-N 1 2 293.371 0.735 20 30 CCEDLO C#CCOCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376221025 389731175 /nfs/dbraw/zinc/73/11/75/389731175.db2.gz LGMBVPRVPZIIQA-KBPBESRZSA-N 1 2 280.368 0.348 20 30 CCEDLO C#C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376441582 389735742 /nfs/dbraw/zinc/73/57/42/389735742.db2.gz MBRKFSHZIQCHAN-XQQFMLRXSA-N 1 2 265.357 0.513 20 30 CCEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@@H]1C ZINC000416396782 389738848 /nfs/dbraw/zinc/73/88/48/389738848.db2.gz FIBQHUVIMAFJMI-NWDGAFQWSA-N 1 2 289.401 0.271 20 30 CCEDLO CCOCC[N@H+]1CCN(S(=O)(=O)[C@H](C)C#N)C[C@@H]1C ZINC000416396782 389738851 /nfs/dbraw/zinc/73/88/51/389738851.db2.gz FIBQHUVIMAFJMI-NWDGAFQWSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073381 389746711 /nfs/dbraw/zinc/74/67/11/389746711.db2.gz GLODSJPDLDJUMB-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352073381 389746713 /nfs/dbraw/zinc/74/67/13/389746713.db2.gz GLODSJPDLDJUMB-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416496539 389748901 /nfs/dbraw/zinc/74/89/01/389748901.db2.gz PKRURZBLBCVFGH-MNOVXSKESA-N 1 2 259.375 0.644 20 30 CCEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416496539 389748902 /nfs/dbraw/zinc/74/89/02/389748902.db2.gz PKRURZBLBCVFGH-MNOVXSKESA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000352411928 389806289 /nfs/dbraw/zinc/80/62/89/389806289.db2.gz AFZSNWDCSIERSY-SNVBAGLBSA-N 1 2 278.337 0.708 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352457685 389813774 /nfs/dbraw/zinc/81/37/74/389813774.db2.gz YTBNDKAHCXHWAL-AWEZNQCLSA-N 1 2 285.307 0.926 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000352902377 389840164 /nfs/dbraw/zinc/84/01/64/389840164.db2.gz RSNSECPCANJYPJ-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000352902377 389840169 /nfs/dbraw/zinc/84/01/69/389840169.db2.gz RSNSECPCANJYPJ-LLVKDONJSA-N 1 2 268.361 0.556 20 30 CCEDLO C=CCCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000353308129 389849266 /nfs/dbraw/zinc/84/92/66/389849266.db2.gz ARFLUXFZKMYTPN-AWEZNQCLSA-N 1 2 299.415 0.677 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC(C)(C)C#N ZINC000433296483 389907824 /nfs/dbraw/zinc/90/78/24/389907824.db2.gz SNRMAADWINBXKV-RYUDHWBXSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433296483 389907825 /nfs/dbraw/zinc/90/78/25/389907825.db2.gz SNRMAADWINBXKV-RYUDHWBXSA-N 1 2 294.399 0.580 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000444622073 389910790 /nfs/dbraw/zinc/91/07/90/389910790.db2.gz NWGGBYUWSHLZLB-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000444622073 389910792 /nfs/dbraw/zinc/91/07/92/389910792.db2.gz NWGGBYUWSHLZLB-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000444661124 389911868 /nfs/dbraw/zinc/91/18/68/389911868.db2.gz HHCHIHPXUYJXGA-STQMWFEESA-N 1 2 291.413 0.449 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000444661124 389911870 /nfs/dbraw/zinc/91/18/70/389911870.db2.gz HHCHIHPXUYJXGA-STQMWFEESA-N 1 2 291.413 0.449 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000444661121 389912376 /nfs/dbraw/zinc/91/23/76/389912376.db2.gz HHCHIHPXUYJXGA-OLZOCXBDSA-N 1 2 291.413 0.449 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000444661121 389912378 /nfs/dbraw/zinc/91/23/78/389912378.db2.gz HHCHIHPXUYJXGA-OLZOCXBDSA-N 1 2 291.413 0.449 20 30 CCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448897267 389991145 /nfs/dbraw/zinc/99/11/45/389991145.db2.gz QBGNHYJJSLOGPI-BXUZGUMPSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448897267 389991147 /nfs/dbraw/zinc/99/11/47/389991147.db2.gz QBGNHYJJSLOGPI-BXUZGUMPSA-N 1 2 265.357 0.763 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000440338579 390035204 /nfs/dbraw/zinc/03/52/04/390035204.db2.gz GINRNCBOBBGHSN-UHFFFAOYSA-N 1 2 299.334 0.666 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(CO)nnc2C1 ZINC000440338579 390035205 /nfs/dbraw/zinc/03/52/05/390035205.db2.gz GINRNCBOBBGHSN-UHFFFAOYSA-N 1 2 299.334 0.666 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC000493137347 390119311 /nfs/dbraw/zinc/11/93/11/390119311.db2.gz AUHCTCKHAXHGPD-NEPJUHHUSA-N 1 2 279.340 0.300 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC000493137347 390119312 /nfs/dbraw/zinc/11/93/12/390119312.db2.gz AUHCTCKHAXHGPD-NEPJUHHUSA-N 1 2 279.340 0.300 20 30 CCEDLO C#CC[N@@H+](C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491382202 390112750 /nfs/dbraw/zinc/11/27/50/390112750.db2.gz HWDBTZHLJCJMNL-STQMWFEESA-N 1 2 271.382 0.534 20 30 CCEDLO C#CC[N@H+](C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491382202 390112751 /nfs/dbraw/zinc/11/27/51/390112751.db2.gz HWDBTZHLJCJMNL-STQMWFEESA-N 1 2 271.382 0.534 20 30 CCEDLO C#CCNC(=O)CC[NH2+]Cc1n[nH]cc1Br ZINC000491415540 390113170 /nfs/dbraw/zinc/11/31/70/390113170.db2.gz HMTHRBDZLXTNDR-UHFFFAOYSA-N 1 2 285.145 0.401 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000491647176 390115397 /nfs/dbraw/zinc/11/53/97/390115397.db2.gz WVBBCHRSNYMGAB-CABZTGNLSA-N 1 2 267.354 0.325 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000491647176 390115398 /nfs/dbraw/zinc/11/53/98/390115398.db2.gz WVBBCHRSNYMGAB-CABZTGNLSA-N 1 2 267.354 0.325 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)OCCCC)CC1 ZINC000491724558 390116305 /nfs/dbraw/zinc/11/63/05/390116305.db2.gz GQKSORBNZIGGOD-UHFFFAOYSA-N 1 2 280.368 0.791 20 30 CCEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000495706930 390245635 /nfs/dbraw/zinc/24/56/35/390245635.db2.gz OQPZSJJBVVBMTD-GFCCVEGCSA-N 1 2 296.371 0.569 20 30 CCEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000495706930 390245638 /nfs/dbraw/zinc/24/56/38/390245638.db2.gz OQPZSJJBVVBMTD-GFCCVEGCSA-N 1 2 296.371 0.569 20 30 CCEDLO CC(C)N(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000543551622 390283990 /nfs/dbraw/zinc/28/39/90/390283990.db2.gz WQKQGXPGMODMOC-CYBMUJFWSA-N 1 2 266.389 0.773 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000644878553 390336779 /nfs/dbraw/zinc/33/67/79/390336779.db2.gz YVBRWRMWELNGSN-UWVGGRQHSA-N 1 2 262.313 0.706 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000644878553 390336781 /nfs/dbraw/zinc/33/67/81/390336781.db2.gz YVBRWRMWELNGSN-UWVGGRQHSA-N 1 2 262.313 0.706 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000584422577 390344326 /nfs/dbraw/zinc/34/43/26/390344326.db2.gz JRXJGKOVNWUUSZ-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000584422577 390344333 /nfs/dbraw/zinc/34/43/33/390344333.db2.gz JRXJGKOVNWUUSZ-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nn1 ZINC000648771302 390405915 /nfs/dbraw/zinc/40/59/15/390405915.db2.gz MCCNUFUDTSYKIL-VXGBXAGGSA-N 1 2 293.371 0.303 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2n(n1)CCC2 ZINC000519657641 390524959 /nfs/dbraw/zinc/52/49/59/390524959.db2.gz VIPMZPVMQJYWNZ-ZDUSSCGKSA-N 1 2 261.329 0.403 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000649228608 390531318 /nfs/dbraw/zinc/53/13/18/390531318.db2.gz GCXSMUKBCHHGIX-ZDUSSCGKSA-N 1 2 267.373 0.757 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649238534 390533475 /nfs/dbraw/zinc/53/34/75/390533475.db2.gz CQKPXAVVZOEGRL-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000520802402 390589591 /nfs/dbraw/zinc/58/95/91/390589591.db2.gz NCCTVYDRRGSWBM-AAEUAGOBSA-N 1 2 276.340 0.999 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938853 390536800 /nfs/dbraw/zinc/53/68/00/390536800.db2.gz VSYIKPDISJLVFH-JTQLQIEISA-N 1 2 259.300 0.314 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645938853 390536804 /nfs/dbraw/zinc/53/68/04/390536804.db2.gz VSYIKPDISJLVFH-JTQLQIEISA-N 1 2 259.300 0.314 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000525180622 390660112 /nfs/dbraw/zinc/66/01/12/390660112.db2.gz ZOCAZBBFBWOTNC-STQMWFEESA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000525180622 390660115 /nfs/dbraw/zinc/66/01/15/390660115.db2.gz ZOCAZBBFBWOTNC-STQMWFEESA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCNC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000569255814 390715964 /nfs/dbraw/zinc/71/59/64/390715964.db2.gz HCMLNSXDFSJONQ-CYBMUJFWSA-N 1 2 267.373 0.085 20 30 CCEDLO Cc1nn(C)c(C)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569728213 390716526 /nfs/dbraw/zinc/71/65/26/390716526.db2.gz WQSZSFMTEYGVKI-CYBMUJFWSA-N 1 2 263.345 0.611 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1C ZINC000526056591 390674242 /nfs/dbraw/zinc/67/42/42/390674242.db2.gz QDMSCKQVQIAXBT-LLVKDONJSA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1C ZINC000526056592 390674502 /nfs/dbraw/zinc/67/45/02/390674502.db2.gz QDMSCKQVQIAXBT-NSHDSACASA-N 1 2 275.356 0.803 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CCC1 ZINC000528784982 390778130 /nfs/dbraw/zinc/77/81/30/390778130.db2.gz QECRJIRUXFLUCO-XAAFQQQXSA-N 1 2 295.408 0.534 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CCC1 ZINC000528784982 390778131 /nfs/dbraw/zinc/77/81/31/390778131.db2.gz QECRJIRUXFLUCO-XAAFQQQXSA-N 1 2 295.408 0.534 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000571481177 390738029 /nfs/dbraw/zinc/73/80/29/390738029.db2.gz CDQJASIDGCQYSB-SNVBAGLBSA-N 1 2 277.324 0.910 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000571481177 390738031 /nfs/dbraw/zinc/73/80/31/390738031.db2.gz CDQJASIDGCQYSB-SNVBAGLBSA-N 1 2 277.324 0.910 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000528399461 390741264 /nfs/dbraw/zinc/74/12/64/390741264.db2.gz XIQKHYKEVWGUCT-GFCCVEGCSA-N 1 2 263.341 0.348 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000528399461 390741267 /nfs/dbraw/zinc/74/12/67/390741267.db2.gz XIQKHYKEVWGUCT-GFCCVEGCSA-N 1 2 263.341 0.348 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000578196719 390870147 /nfs/dbraw/zinc/87/01/47/390870147.db2.gz QYWQCHQTJIZWFA-NSHDSACASA-N 1 2 274.280 0.787 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000578196719 390870148 /nfs/dbraw/zinc/87/01/48/390870148.db2.gz QYWQCHQTJIZWFA-NSHDSACASA-N 1 2 274.280 0.787 20 30 CCEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn2c1OCCC2 ZINC000574919963 390825270 /nfs/dbraw/zinc/82/52/70/390825270.db2.gz SDSVXZOXKFGOEQ-CQSZACIVSA-N 1 2 291.355 0.548 20 30 CCEDLO C=CCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000263822905 131340394 /nfs/dbraw/zinc/34/03/94/131340394.db2.gz VHFCNKADBRDSPZ-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000268889570 132083820 /nfs/dbraw/zinc/08/38/20/132083820.db2.gz MEYHZXBNLTZSMP-UHFFFAOYSA-N 1 2 298.412 0.611 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000329617976 296489704 /nfs/dbraw/zinc/48/97/04/296489704.db2.gz LTVKEQINUIGVFJ-NWDGAFQWSA-N 1 2 299.396 0.034 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnccc1C#N ZINC000358710556 144174905 /nfs/dbraw/zinc/17/49/05/144174905.db2.gz FTFFLFLBJVJUII-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnccc1C#N ZINC000358710556 144174906 /nfs/dbraw/zinc/17/49/06/144174906.db2.gz FTFFLFLBJVJUII-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000548152909 286011429 /nfs/dbraw/zinc/01/14/29/286011429.db2.gz KFUIGAQONSYTRK-NEPJUHHUSA-N 1 2 260.341 0.896 20 30 CCEDLO N#Cc1cnccc1NCC1([NH+]2CCOCC2)CC1 ZINC000553246205 286186945 /nfs/dbraw/zinc/18/69/45/286186945.db2.gz ZLYFHRGKGUMUMS-UHFFFAOYSA-N 1 2 258.325 0.652 20 30 CCEDLO COC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000007016644 170262342 /nfs/dbraw/zinc/26/23/42/170262342.db2.gz DDPFGIVMNYPSGM-HNNXBMFYSA-N 1 2 293.367 0.680 20 30 CCEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nn1 ZINC000653636962 412328236 /nfs/dbraw/zinc/32/82/36/412328236.db2.gz YFUCUYMGFCQNLZ-FPMFFAJLSA-N 1 2 289.383 0.940 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)nn1 ZINC000653636962 412328240 /nfs/dbraw/zinc/32/82/40/412328240.db2.gz YFUCUYMGFCQNLZ-FPMFFAJLSA-N 1 2 289.383 0.940 20 30 CCEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1COC[C@H]1O ZINC000285434789 196283393 /nfs/dbraw/zinc/28/33/93/196283393.db2.gz CMSQPBXSJPDCPN-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1COC[C@H]1O ZINC000285434789 196283395 /nfs/dbraw/zinc/28/33/95/196283395.db2.gz CMSQPBXSJPDCPN-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CC(=O)c1nc(CC[NH+]2CCN(CCC#N)CC2)[nH]c1C ZINC000660139014 414144745 /nfs/dbraw/zinc/14/47/45/414144745.db2.gz FUNAZTOICWSGRV-UHFFFAOYSA-N 1 2 289.383 0.995 20 30 CCEDLO CC(=O)c1[nH]c(CC[NH+]2CCN(CCC#N)CC2)nc1C ZINC000660139014 414144753 /nfs/dbraw/zinc/14/47/53/414144753.db2.gz FUNAZTOICWSGRV-UHFFFAOYSA-N 1 2 289.383 0.995 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000662166270 414695211 /nfs/dbraw/zinc/69/52/11/414695211.db2.gz YALMNHWNRLBTBW-SNVBAGLBSA-N 1 2 299.334 0.218 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H](C)COC ZINC000663638728 415101025 /nfs/dbraw/zinc/10/10/25/415101025.db2.gz QWESJEWILPSHSQ-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664536067 415411298 /nfs/dbraw/zinc/41/12/98/415411298.db2.gz ULUNKUTYIYFDGS-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664536067 415411310 /nfs/dbraw/zinc/41/13/10/415411310.db2.gz ULUNKUTYIYFDGS-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664621586 415436340 /nfs/dbraw/zinc/43/63/40/415436340.db2.gz QQKQFGCNDQEVIC-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664621586 415436345 /nfs/dbraw/zinc/43/63/45/415436345.db2.gz QQKQFGCNDQEVIC-CHWSQXEVSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000665153879 415553671 /nfs/dbraw/zinc/55/36/71/415553671.db2.gz IYQWBHBCJPELFP-CQSZACIVSA-N 1 2 261.325 0.667 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000665512446 416442811 /nfs/dbraw/zinc/44/28/11/416442811.db2.gz HWIKCPHOECGQAD-OAHLLOKOSA-N 1 2 275.352 0.663 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000329121008 227310678 /nfs/dbraw/zinc/31/06/78/227310678.db2.gz VYHJFEIVZFVWQI-ZJUUUORDSA-N 1 2 255.318 0.783 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000329121008 227310686 /nfs/dbraw/zinc/31/06/86/227310686.db2.gz VYHJFEIVZFVWQI-ZJUUUORDSA-N 1 2 255.318 0.783 20 30 CCEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[S@@](=O)C1 ZINC000330037368 228024161 /nfs/dbraw/zinc/02/41/61/228024161.db2.gz ZBLURVRINWMJOX-GIPWTMENSA-N 1 2 292.364 0.859 20 30 CCEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[S@@](=O)C1 ZINC000330037369 228024240 /nfs/dbraw/zinc/02/42/40/228024240.db2.gz ZBLURVRINWMJOX-YBTHPKLGSA-N 1 2 292.364 0.859 20 30 CCEDLO N#CCN(C1CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000331601693 228114388 /nfs/dbraw/zinc/11/43/88/228114388.db2.gz ZIIXEOJCBWUMMU-UHFFFAOYSA-N 1 2 287.385 0.026 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329413772 545023097 /nfs/dbraw/zinc/02/30/97/545023097.db2.gz CPKALWOTVJQQKA-GHMZBOCLSA-N 1 2 264.329 0.833 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000329486500 545023329 /nfs/dbraw/zinc/02/33/29/545023329.db2.gz RDKMEDGBLHRLJT-QWHCGFSZSA-N 1 2 285.388 0.780 20 30 CCEDLO Cn1ncc2c1nc(NC1CCN(CC#N)CC1)[nH+]c2N ZINC000618152512 420498029 /nfs/dbraw/zinc/49/80/29/420498029.db2.gz KVYQRSSSFUDAFQ-UHFFFAOYSA-N 1 2 286.343 0.345 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000408008342 260170649 /nfs/dbraw/zinc/17/06/49/260170649.db2.gz HNPJQFKDVIPJDJ-UHFFFAOYSA-N 1 2 261.391 0.423 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049000950 260202848 /nfs/dbraw/zinc/20/28/48/260202848.db2.gz ZFBJPNZKPQAXHR-LLVKDONJSA-N 1 2 297.380 0.804 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049000950 260202850 /nfs/dbraw/zinc/20/28/50/260202850.db2.gz ZFBJPNZKPQAXHR-LLVKDONJSA-N 1 2 297.380 0.804 20 30 CCEDLO C=CC[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000068849666 260226580 /nfs/dbraw/zinc/22/65/80/260226580.db2.gz LFNHIVIOVLQUJQ-CYBMUJFWSA-N 1 2 267.373 0.037 20 30 CCEDLO C=CCN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000068849666 260226582 /nfs/dbraw/zinc/22/65/82/260226582.db2.gz LFNHIVIOVLQUJQ-CYBMUJFWSA-N 1 2 267.373 0.037 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000408110048 260235371 /nfs/dbraw/zinc/23/53/71/260235371.db2.gz KLDLXOLGEVYCEE-NSHDSACASA-N 1 2 271.386 0.551 20 30 CCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000408110048 260235373 /nfs/dbraw/zinc/23/53/73/260235373.db2.gz KLDLXOLGEVYCEE-NSHDSACASA-N 1 2 271.386 0.551 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000408113560 260239385 /nfs/dbraw/zinc/23/93/85/260239385.db2.gz XBEIDGIYLJEJIS-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000408113560 260239387 /nfs/dbraw/zinc/23/93/87/260239387.db2.gz XBEIDGIYLJEJIS-JTQLQIEISA-N 1 2 257.359 0.304 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000518050669 260339745 /nfs/dbraw/zinc/33/97/45/260339745.db2.gz AAKXVOOPKKMVAD-CYBMUJFWSA-N 1 2 299.378 0.766 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152372540 260643990 /nfs/dbraw/zinc/64/39/90/260643990.db2.gz REXJOJWABNEBPT-RYUDHWBXSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152372540 260643991 /nfs/dbraw/zinc/64/39/91/260643991.db2.gz REXJOJWABNEBPT-RYUDHWBXSA-N 1 2 254.330 0.168 20 30 CCEDLO Cn1nccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154745579 261094673 /nfs/dbraw/zinc/09/46/73/261094673.db2.gz KTJHTANJSGNEFU-UHFFFAOYSA-N 1 2 277.372 0.468 20 30 CCEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCO)cn2)n1 ZINC000154762824 261094720 /nfs/dbraw/zinc/09/47/20/261094720.db2.gz OBMRSSDJLNEVJB-UHFFFAOYSA-N 1 2 289.339 0.903 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000490715285 261190243 /nfs/dbraw/zinc/19/02/43/261190243.db2.gz WHOUWNLJZLCFGY-ZNMIVQPWSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000490715285 261190244 /nfs/dbraw/zinc/19/02/44/261190244.db2.gz WHOUWNLJZLCFGY-ZNMIVQPWSA-N 1 2 293.411 0.262 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@H](C)CO)CC1 ZINC000490800816 261210707 /nfs/dbraw/zinc/21/07/07/261210707.db2.gz WBSILXQRZDMGSH-GFCCVEGCSA-N 1 2 270.398 0.125 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248987163 261230693 /nfs/dbraw/zinc/23/06/93/261230693.db2.gz KHEZVSYFBDQTAL-ZFWWWQNUSA-N 1 2 295.383 0.486 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248987163 261230696 /nfs/dbraw/zinc/23/06/96/261230696.db2.gz KHEZVSYFBDQTAL-ZFWWWQNUSA-N 1 2 295.383 0.486 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC000490964043 261268599 /nfs/dbraw/zinc/26/85/99/261268599.db2.gz YMYYECGDICXJPR-STQMWFEESA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC000490964043 261268600 /nfs/dbraw/zinc/26/86/00/261268600.db2.gz YMYYECGDICXJPR-STQMWFEESA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000491241675 261385420 /nfs/dbraw/zinc/38/54/20/261385420.db2.gz KUNNXMSTOHUPHK-WDEREUQCSA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000491241675 261385423 /nfs/dbraw/zinc/38/54/23/261385423.db2.gz KUNNXMSTOHUPHK-WDEREUQCSA-N 1 2 251.330 0.864 20 30 CCEDLO COc1ccc(C(N)=[NH+]OC[C@H]2CNC(=O)O2)cc1 ZINC000282224529 263075213 /nfs/dbraw/zinc/07/52/13/263075213.db2.gz KLAXAWDCXMAHLU-SNVBAGLBSA-N 1 2 265.269 0.441 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000283480531 263083067 /nfs/dbraw/zinc/08/30/67/263083067.db2.gz KGHRMUNGRGUKCM-LLVKDONJSA-N 1 2 285.373 0.199 20 30 CCEDLO C[C@@H](CCC#N)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000298605964 263223050 /nfs/dbraw/zinc/22/30/50/263223050.db2.gz LSGUQJMMYPOWLX-VIFPVBQESA-N 1 2 266.374 0.935 20 30 CCEDLO C=CCN(Cc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330366955 263915661 /nfs/dbraw/zinc/91/56/61/263915661.db2.gz HMDWWZXCFKGRNZ-LLVKDONJSA-N 1 2 269.370 0.595 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[S@]1=O ZINC000330632761 264001056 /nfs/dbraw/zinc/00/10/56/264001056.db2.gz RJUIURAZDINVTD-ADLMAVQZSA-N 1 2 271.386 0.201 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[S@]1=O ZINC000330632761 264001058 /nfs/dbraw/zinc/00/10/58/264001058.db2.gz RJUIURAZDINVTD-ADLMAVQZSA-N 1 2 271.386 0.201 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330768169 264033028 /nfs/dbraw/zinc/03/30/28/264033028.db2.gz SGKJSGMXXDZIHY-LLVKDONJSA-N 1 2 298.387 0.417 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000330768169 264033031 /nfs/dbraw/zinc/03/30/31/264033031.db2.gz SGKJSGMXXDZIHY-LLVKDONJSA-N 1 2 298.387 0.417 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330905931 264074002 /nfs/dbraw/zinc/07/40/02/264074002.db2.gz NFAXCBWSVDSBBI-DOMZBBRYSA-N 1 2 292.383 0.942 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330938722 264081690 /nfs/dbraw/zinc/08/16/90/264081690.db2.gz CAJKBDDMCPBPBR-SNVBAGLBSA-N 1 2 256.350 0.110 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330938722 264081693 /nfs/dbraw/zinc/08/16/93/264081693.db2.gz CAJKBDDMCPBPBR-SNVBAGLBSA-N 1 2 256.350 0.110 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)NCC[NH+]1CCOCC1 ZINC000330960106 264089094 /nfs/dbraw/zinc/08/90/94/264089094.db2.gz PAAUCPNVUPGJJR-UHFFFAOYSA-N 1 2 265.313 0.732 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000330987535 264103832 /nfs/dbraw/zinc/10/38/32/264103832.db2.gz RFDCXWHKSLSWHN-SNVBAGLBSA-N 1 2 287.385 0.002 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000330987535 264103834 /nfs/dbraw/zinc/10/38/34/264103834.db2.gz RFDCXWHKSLSWHN-SNVBAGLBSA-N 1 2 287.385 0.002 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000330988010 264104554 /nfs/dbraw/zinc/10/45/54/264104554.db2.gz XKXOUJYMEROHLT-XYPYZODXSA-N 1 2 266.345 0.975 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000126216162 264210379 /nfs/dbraw/zinc/21/03/79/264210379.db2.gz DQKZDTBIGWQHLX-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000126216162 264210382 /nfs/dbraw/zinc/21/03/82/264210382.db2.gz DQKZDTBIGWQHLX-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161223115 264279855 /nfs/dbraw/zinc/27/98/55/264279855.db2.gz BLNFAIGKVFZPEY-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161223115 264279857 /nfs/dbraw/zinc/27/98/57/264279857.db2.gz BLNFAIGKVFZPEY-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCCn1cc(C(=O)NCCc2cn(C)c[nH+]2)nn1 ZINC000424896193 264370027 /nfs/dbraw/zinc/37/00/27/264370027.db2.gz QOKZKMOZCXUVFR-UHFFFAOYSA-N 1 2 274.328 0.560 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284682421 264538478 /nfs/dbraw/zinc/53/84/78/264538478.db2.gz VNIZHTPYLMDQGD-UHFFFAOYSA-N 1 2 290.367 0.846 20 30 CCEDLO COCC1(C#N)CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000357095325 266246985 /nfs/dbraw/zinc/24/69/85/266246985.db2.gz SYDQQLROMKSQKZ-CYBMUJFWSA-N 1 2 295.383 0.486 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000368409212 267170411 /nfs/dbraw/zinc/17/04/11/267170411.db2.gz CJSIAJWKYCUPJW-LBPRGKRZSA-N 1 2 273.340 0.113 20 30 CCEDLO C#CCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000368620460 267190793 /nfs/dbraw/zinc/19/07/93/267190793.db2.gz ZQMPPMOVKCQROH-KGLIPLIRSA-N 1 2 279.384 0.904 20 30 CCEDLO C=CCN1CC[C@H](N2CCn3cc(C)[nH+]c3C2)C1=O ZINC000377116227 268048972 /nfs/dbraw/zinc/04/89/72/268048972.db2.gz VIJRDFGTWHGFGL-LBPRGKRZSA-N 1 2 260.341 0.794 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491798317 277102243 /nfs/dbraw/zinc/10/22/43/277102243.db2.gz RLKUXYJYVYGDLW-XITLMJRVSA-N 1 2 298.390 0.933 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491798317 277102245 /nfs/dbraw/zinc/10/22/45/277102245.db2.gz RLKUXYJYVYGDLW-XITLMJRVSA-N 1 2 298.390 0.933 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](C)C1 ZINC000285371648 279365595 /nfs/dbraw/zinc/36/55/95/279365595.db2.gz QYKAMSYVWVHDQK-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](C)C1 ZINC000285371648 279365597 /nfs/dbraw/zinc/36/55/97/279365597.db2.gz QYKAMSYVWVHDQK-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c[nH]1 ZINC000426080920 279501930 /nfs/dbraw/zinc/50/19/30/279501930.db2.gz ZBAUMSAFLXQJKI-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330010171 303515112 /nfs/dbraw/zinc/51/51/12/303515112.db2.gz GTWOXJYLIOBKIA-MQYQWHSLSA-N 1 2 295.383 0.342 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2ncncc2C#N)CC1 ZINC000580067864 327689119 /nfs/dbraw/zinc/68/91/19/327689119.db2.gz LOYISXMOSLFLRA-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C#C[C@@H](CCC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491516185 327784588 /nfs/dbraw/zinc/78/45/88/327784588.db2.gz ROCGTASMILDZDM-ZDUSSCGKSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000377338764 329011856 /nfs/dbraw/zinc/01/18/56/329011856.db2.gz BLBSRKLRPMRZKW-QWHCGFSZSA-N 1 2 286.397 0.135 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264620725 328161103 /nfs/dbraw/zinc/16/11/03/328161103.db2.gz RAQWWMHDGNUKPS-OCCSQVGLSA-N 1 2 290.319 0.697 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264620725 328161104 /nfs/dbraw/zinc/16/11/04/328161104.db2.gz RAQWWMHDGNUKPS-OCCSQVGLSA-N 1 2 290.319 0.697 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451669131 328163392 /nfs/dbraw/zinc/16/33/92/328163392.db2.gz UKKRQERFTMJLEW-GASCZTMLSA-N 1 2 295.427 0.574 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451669131 328163393 /nfs/dbraw/zinc/16/33/93/328163393.db2.gz UKKRQERFTMJLEW-GASCZTMLSA-N 1 2 295.427 0.574 20 30 CCEDLO COc1ccc(OC)c(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275523883 328215170 /nfs/dbraw/zinc/21/51/70/328215170.db2.gz PBAXOSUTAUXUMP-UHFFFAOYSA-N 1 2 297.311 0.314 20 30 CCEDLO CO/N=C/C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000282871457 328243895 /nfs/dbraw/zinc/24/38/95/328243895.db2.gz DQJWYLBLARVCJG-MHWRWJLKSA-N 1 2 278.312 0.167 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000042542033 328365042 /nfs/dbraw/zinc/36/50/42/328365042.db2.gz SAIGDFZTLMEINF-CYBMUJFWSA-N 1 2 290.367 0.239 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000042542033 328365043 /nfs/dbraw/zinc/36/50/43/328365043.db2.gz SAIGDFZTLMEINF-CYBMUJFWSA-N 1 2 290.367 0.239 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000341426120 328409945 /nfs/dbraw/zinc/40/99/45/328409945.db2.gz ABBXGGXGAQVKBC-JTQLQIEISA-N 1 2 293.323 0.330 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)OC(C)(C)C ZINC000091763646 327177455 /nfs/dbraw/zinc/17/74/55/327177455.db2.gz XZXLFIBQKNZEHT-UHFFFAOYSA-N 1 2 284.360 0.425 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)OC(C)(C)C ZINC000091763646 327177456 /nfs/dbraw/zinc/17/74/56/327177456.db2.gz XZXLFIBQKNZEHT-UHFFFAOYSA-N 1 2 284.360 0.425 20 30 CCEDLO C=CCn1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)nn1 ZINC000573795316 327258020 /nfs/dbraw/zinc/25/80/20/327258020.db2.gz OIHDUVZAGGILGA-SECBINFHSA-N 1 2 264.251 0.867 20 30 CCEDLO C[C@H]1CC[N@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000561247346 327379000 /nfs/dbraw/zinc/37/90/00/327379000.db2.gz QMPUYSZXUNEMKN-NSHDSACASA-N 1 2 261.329 0.499 20 30 CCEDLO C[C@H]1CC[N@@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000561247346 327379002 /nfs/dbraw/zinc/37/90/02/327379002.db2.gz QMPUYSZXUNEMKN-NSHDSACASA-N 1 2 261.329 0.499 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000375123425 329000961 /nfs/dbraw/zinc/00/09/61/329000961.db2.gz HNGJDADHCXXXAM-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000375123425 329000963 /nfs/dbraw/zinc/00/09/63/329000963.db2.gz HNGJDADHCXXXAM-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C[C@H](NC(=O)CSCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000170886431 329069216 /nfs/dbraw/zinc/06/92/16/329069216.db2.gz IFVDCVQCYXTTJU-QWRGUYRKSA-N 1 2 271.386 0.469 20 30 CCEDLO CCC(CC)[C@@H](C(=O)NCC#N)[NH+]1CCOCC1 ZINC000173373086 329146546 /nfs/dbraw/zinc/14/65/46/329146546.db2.gz BXSOXFVCPYXCHL-LBPRGKRZSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189092955 329374908 /nfs/dbraw/zinc/37/49/08/329374908.db2.gz AJHBGPSQRFLPDV-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000189092955 329374910 /nfs/dbraw/zinc/37/49/10/329374910.db2.gz AJHBGPSQRFLPDV-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189092973 329375600 /nfs/dbraw/zinc/37/56/00/329375600.db2.gz AJHBGPSQRFLPDV-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189092973 329375602 /nfs/dbraw/zinc/37/56/02/329375602.db2.gz AJHBGPSQRFLPDV-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO CC#CCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000440693094 330754247 /nfs/dbraw/zinc/75/42/47/330754247.db2.gz MQYGKQUKHBWPJD-UHFFFAOYSA-N 1 2 261.281 0.558 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000489037867 332038615 /nfs/dbraw/zinc/03/86/15/332038615.db2.gz HCRXVYVQBIHHEM-CYBMUJFWSA-N 1 2 274.368 0.404 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000490655757 332100353 /nfs/dbraw/zinc/10/03/53/332100353.db2.gz CANLTGUXPQPBDN-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)CC1 ZINC000490779671 332114796 /nfs/dbraw/zinc/11/47/96/332114796.db2.gz YTXFUQNSGUMMNN-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@H](CC)C2)CC1 ZINC000490779671 332114798 /nfs/dbraw/zinc/11/47/98/332114798.db2.gz YTXFUQNSGUMMNN-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)CC1 ZINC000490779669 332115012 /nfs/dbraw/zinc/11/50/12/332115012.db2.gz YTXFUQNSGUMMNN-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)CC1 ZINC000490779669 332115013 /nfs/dbraw/zinc/11/50/13/332115013.db2.gz YTXFUQNSGUMMNN-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000490819602 332117576 /nfs/dbraw/zinc/11/75/76/332117576.db2.gz JKHXSOKXECXRBH-OAHLLOKOSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000490819602 332117578 /nfs/dbraw/zinc/11/75/78/332117578.db2.gz JKHXSOKXECXRBH-OAHLLOKOSA-N 1 2 289.379 0.072 20 30 CCEDLO C#CCN(Cc1[nH+]ccn1C)[C@H]1CCS(=O)(=O)C1 ZINC000490839815 332119404 /nfs/dbraw/zinc/11/94/04/332119404.db2.gz KMZKTSCEJIHBDY-NSHDSACASA-N 1 2 267.354 0.042 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000490891989 332124747 /nfs/dbraw/zinc/12/47/47/332124747.db2.gz IVUUKFOYIWRANB-AWEZNQCLSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000490891989 332124749 /nfs/dbraw/zinc/12/47/49/332124749.db2.gz IVUUKFOYIWRANB-AWEZNQCLSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CC)CC1 ZINC000491068403 332143561 /nfs/dbraw/zinc/14/35/61/332143561.db2.gz PBGIQXQYHBHCKQ-UHFFFAOYSA-N 1 2 277.372 0.590 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000491105326 332150231 /nfs/dbraw/zinc/15/02/31/332150231.db2.gz VJDAXHNJNWTBQO-UHFFFAOYSA-N 1 2 291.355 0.097 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491304113 332185701 /nfs/dbraw/zinc/18/57/01/332185701.db2.gz DDCPFFNRIHTAHW-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)(C)C ZINC000491339130 332193029 /nfs/dbraw/zinc/19/30/29/332193029.db2.gz NUYGKHXBCJDWOD-OLZOCXBDSA-N 1 2 280.416 0.579 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)(C)C ZINC000491339130 332193030 /nfs/dbraw/zinc/19/30/30/332193030.db2.gz NUYGKHXBCJDWOD-OLZOCXBDSA-N 1 2 280.416 0.579 20 30 CCEDLO C#CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000491380967 332200884 /nfs/dbraw/zinc/20/08/84/332200884.db2.gz BYHBODHCOJYIAR-UHFFFAOYSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000491380967 332200885 /nfs/dbraw/zinc/20/08/85/332200885.db2.gz BYHBODHCOJYIAR-UHFFFAOYSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)CSC)n1 ZINC000491460854 332215544 /nfs/dbraw/zinc/21/55/44/332215544.db2.gz BEYMNWIMMMEVSK-CQSZACIVSA-N 1 2 297.424 0.689 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)CSC)n1 ZINC000491460854 332215545 /nfs/dbraw/zinc/21/55/45/332215545.db2.gz BEYMNWIMMMEVSK-CQSZACIVSA-N 1 2 297.424 0.689 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000491538208 332233037 /nfs/dbraw/zinc/23/30/37/332233037.db2.gz XKNBOTZKPLDMBK-UONOGXRCSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000491538208 332233038 /nfs/dbraw/zinc/23/30/38/332233038.db2.gz XKNBOTZKPLDMBK-UONOGXRCSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000491629892 332252658 /nfs/dbraw/zinc/25/26/58/332252658.db2.gz MQBRSMMNWIWKCM-DTWKUNHWSA-N 1 2 295.364 0.718 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)/C=C/c1[nH+]ccn1CC ZINC000491640846 332260579 /nfs/dbraw/zinc/26/05/79/332260579.db2.gz PEHZQBZBKDBGPR-BTDICHCPSA-N 1 2 259.309 0.777 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@](C)(O)C(C)=O)n1 ZINC000491671910 332278802 /nfs/dbraw/zinc/27/88/02/332278802.db2.gz QZBYVVZJMGBBOP-CQSZACIVSA-N 1 2 263.341 0.678 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@@](C)(O)C(C)=O)n1 ZINC000491671910 332278804 /nfs/dbraw/zinc/27/88/04/332278804.db2.gz QZBYVVZJMGBBOP-CQSZACIVSA-N 1 2 263.341 0.678 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@](C)(CC)CC2=O)CC1 ZINC000491692832 332289367 /nfs/dbraw/zinc/28/93/67/332289367.db2.gz BUXFUZJURFTNMM-OAHLLOKOSA-N 1 2 263.385 0.843 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)COC ZINC000492408282 332395998 /nfs/dbraw/zinc/39/59/98/332395998.db2.gz MVGJADCANPGZSW-SZZPACECSA-N 1 2 262.313 0.961 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)o1 ZINC000575447591 335104625 /nfs/dbraw/zinc/10/46/25/335104625.db2.gz XFRRXGUBXHLABQ-CYBMUJFWSA-N 1 2 274.280 0.325 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)o1 ZINC000575447591 335104627 /nfs/dbraw/zinc/10/46/27/335104627.db2.gz XFRRXGUBXHLABQ-CYBMUJFWSA-N 1 2 274.280 0.325 20 30 CCEDLO CCO/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493355764 332436751 /nfs/dbraw/zinc/43/67/51/332436751.db2.gz QQHFACFIUFLMTE-NYYWCZLTSA-N 1 2 281.356 0.611 20 30 CCEDLO C#CC[N@@H+](Cc1ccc(CO)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000305847783 333001169 /nfs/dbraw/zinc/00/11/69/333001169.db2.gz TWEMZXQSVVNDLC-OAHLLOKOSA-N 1 2 293.388 0.801 20 30 CCEDLO C#CC[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000305847783 333001170 /nfs/dbraw/zinc/00/11/70/333001170.db2.gz TWEMZXQSVVNDLC-OAHLLOKOSA-N 1 2 293.388 0.801 20 30 CCEDLO C#CC[N@@H+](Cc1ccc(CO)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000305847781 333001196 /nfs/dbraw/zinc/00/11/96/333001196.db2.gz TWEMZXQSVVNDLC-HNNXBMFYSA-N 1 2 293.388 0.801 20 30 CCEDLO C#CC[N@H+](Cc1ccc(CO)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000305847781 333001198 /nfs/dbraw/zinc/00/11/98/333001198.db2.gz TWEMZXQSVVNDLC-HNNXBMFYSA-N 1 2 293.388 0.801 20 30 CCEDLO C[C@H](CC#N)N(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177374954 333058311 /nfs/dbraw/zinc/05/83/11/333058311.db2.gz AZRHDEZJFULONQ-CYBMUJFWSA-N 1 2 296.415 0.447 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178770452 333077406 /nfs/dbraw/zinc/07/74/06/333077406.db2.gz XWQGBWZTUAXQBI-UHFFFAOYSA-N 1 2 290.342 0.583 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000516980038 333088663 /nfs/dbraw/zinc/08/86/63/333088663.db2.gz VCEBCSCLHNVLMT-LSDHHAIUSA-N 1 2 290.367 0.149 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000516980038 333088664 /nfs/dbraw/zinc/08/86/64/333088664.db2.gz VCEBCSCLHNVLMT-LSDHHAIUSA-N 1 2 290.367 0.149 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000194206199 333267361 /nfs/dbraw/zinc/26/73/61/333267361.db2.gz MYWNIMJXRBGPQQ-UHFFFAOYSA-N 1 2 270.340 0.427 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081011025 334176274 /nfs/dbraw/zinc/17/62/74/334176274.db2.gz JSPVRHSPCSZIRE-UHFFFAOYSA-N 1 2 288.351 0.150 20 30 CCEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)CN(C)C)n1cc[nH+]c1 ZINC000566308501 334641921 /nfs/dbraw/zinc/64/19/21/334641921.db2.gz HQQGPHGOYRTPGX-AAEUAGOBSA-N 1 2 263.345 0.794 20 30 CCEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000579719228 335872755 /nfs/dbraw/zinc/87/27/55/335872755.db2.gz QIUNCLBOLCZSKR-SRRSOLGSSA-N 1 2 253.346 0.760 20 30 CCEDLO C[C@@H]1COCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581136333 336014184 /nfs/dbraw/zinc/01/41/84/336014184.db2.gz XRRODWALDDTOAS-NQBHXWOUSA-N 1 2 253.346 0.619 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000425529652 534081022 /nfs/dbraw/zinc/08/10/22/534081022.db2.gz CHVSKCTWHIHVJJ-VIFPVBQESA-N 1 2 283.339 0.761 20 30 CCEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000425529652 534081033 /nfs/dbraw/zinc/08/10/33/534081033.db2.gz CHVSKCTWHIHVJJ-VIFPVBQESA-N 1 2 283.339 0.761 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCO)CC1 ZINC000268162932 534562232 /nfs/dbraw/zinc/56/22/32/534562232.db2.gz NWOBXAZVDCYABK-UHFFFAOYSA-N 1 2 252.358 0.891 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000665824527 545107933 /nfs/dbraw/zinc/10/79/33/545107933.db2.gz FMBBKUFCKVKKGL-AWEZNQCLSA-N 1 2 259.309 0.930 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000666429389 545122725 /nfs/dbraw/zinc/12/27/25/545122725.db2.gz ICOWROQRHWXLGP-ZDUSSCGKSA-N 1 2 279.340 0.483 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448232 545177885 /nfs/dbraw/zinc/17/78/85/545177885.db2.gz MISMWWGWUUIEPB-LLVKDONJSA-N 1 2 264.329 0.839 20 30 CCEDLO CCN1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1=O ZINC000330135171 527904724 /nfs/dbraw/zinc/90/47/24/527904724.db2.gz HBTJRGUIHKMOQR-UHFFFAOYSA-N 1 2 291.355 0.755 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668220 528617481 /nfs/dbraw/zinc/61/74/81/528617481.db2.gz QLDXXHQEEJPTEX-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668220 528617490 /nfs/dbraw/zinc/61/74/90/528617490.db2.gz QLDXXHQEEJPTEX-RYUDHWBXSA-N 1 2 280.372 0.157 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352822838 529347038 /nfs/dbraw/zinc/34/70/38/529347038.db2.gz HLHIIXWHFUIXPB-CQSZACIVSA-N 1 2 275.356 0.994 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000372403904 536304716 /nfs/dbraw/zinc/30/47/16/536304716.db2.gz IDBHIQUHDZFDNI-GFCCVEGCSA-N 1 2 283.353 0.665 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000372403904 536304720 /nfs/dbraw/zinc/30/47/20/536304720.db2.gz IDBHIQUHDZFDNI-GFCCVEGCSA-N 1 2 283.353 0.665 20 30 CCEDLO C[N@H+](CCCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000311348851 536357345 /nfs/dbraw/zinc/35/73/45/536357345.db2.gz UMGOJLOHHYGKTN-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO C[N@@H+](CCCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000311348851 536357348 /nfs/dbraw/zinc/35/73/48/536357348.db2.gz UMGOJLOHHYGKTN-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC(F)(F)F)CC1 ZINC000790165165 581178982 /nfs/dbraw/zinc/17/89/82/581178982.db2.gz SAIOROATTOLAED-UHFFFAOYSA-N 1 2 298.330 0.910 20 30 CCEDLO Cn1c[nH+]cc1CN=Nc1cc(Cl)nc(N)n1 ZINC000778549950 581159415 /nfs/dbraw/zinc/15/94/15/581159415.db2.gz FSQUYIYTCWATDL-UHFFFAOYSA-N 1 2 251.681 0.892 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(C)C2=O)cc1 ZINC000778591617 581160062 /nfs/dbraw/zinc/16/00/62/581160062.db2.gz KZUPQSJOGUUIEL-LBPRGKRZSA-N 1 2 277.324 0.953 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@@H]1CCCO1 ZINC000790271582 581182479 /nfs/dbraw/zinc/18/24/79/581182479.db2.gz QINOHXBUDHZEDC-IHRRRGAJSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@@H]1CCCO1 ZINC000790271582 581182480 /nfs/dbraw/zinc/18/24/80/581182480.db2.gz QINOHXBUDHZEDC-IHRRRGAJSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000779432224 581185243 /nfs/dbraw/zinc/18/52/43/581185243.db2.gz ABRPEEHHLUHXDH-CYBMUJFWSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000779432224 581185244 /nfs/dbraw/zinc/18/52/44/581185244.db2.gz ABRPEEHHLUHXDH-CYBMUJFWSA-N 1 2 299.330 0.435 20 30 CCEDLO Cc1ccc(F)c2c1NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000779799213 581206318 /nfs/dbraw/zinc/20/63/18/581206318.db2.gz JJZSZVANCIUMSG-ZETCQYMHSA-N 1 2 275.287 0.728 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726261122 581235205 /nfs/dbraw/zinc/23/52/05/581235205.db2.gz ZSSUKHOMXZFMAT-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO C=CCSCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726261122 581235207 /nfs/dbraw/zinc/23/52/07/581235207.db2.gz ZSSUKHOMXZFMAT-GFCCVEGCSA-N 1 2 287.429 0.926 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000791348006 581261535 /nfs/dbraw/zinc/26/15/35/581261535.db2.gz AZCRJRHBTVGFCF-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO C[C@H]1CN(C)C(=O)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000793591047 581303953 /nfs/dbraw/zinc/30/39/53/581303953.db2.gz PEZKLQQQSAYJEV-NSHDSACASA-N 1 2 283.335 0.868 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCO)Cc1ccccc1OC ZINC000728572341 581364411 /nfs/dbraw/zinc/36/44/11/581364411.db2.gz YKJYSUSGJYCLMH-UHFFFAOYSA-N 1 2 276.336 0.239 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCO)Cc1ccccc1OC ZINC000728572341 581364412 /nfs/dbraw/zinc/36/44/12/581364412.db2.gz YKJYSUSGJYCLMH-UHFFFAOYSA-N 1 2 276.336 0.239 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCCC(=O)OC(C)(C)C ZINC000783866501 581366488 /nfs/dbraw/zinc/36/64/88/581366488.db2.gz SXYYMKRTMHHTFR-UHFFFAOYSA-N 1 2 295.343 0.723 20 30 CCEDLO C[C@H](CC#N)N(C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783975649 581369241 /nfs/dbraw/zinc/36/92/41/581369241.db2.gz CMOUOXYWYDJAJN-NEPJUHHUSA-N 1 2 275.356 0.927 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000795123208 581398947 /nfs/dbraw/zinc/39/89/47/581398947.db2.gz QKRKGKDPGPOQDB-BETUJISGSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000795123208 581398949 /nfs/dbraw/zinc/39/89/49/581398949.db2.gz QKRKGKDPGPOQDB-BETUJISGSA-N 1 2 293.411 0.703 20 30 CCEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000785617610 581413510 /nfs/dbraw/zinc/41/35/10/581413510.db2.gz PPDNRTCXENOGKM-SNVBAGLBSA-N 1 2 272.312 0.791 20 30 CCEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCC#N ZINC000786442272 581440987 /nfs/dbraw/zinc/44/09/87/581440987.db2.gz RIHGURNNEZYSSE-MDZLAQPJSA-N 1 2 279.340 0.290 20 30 CCEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCC#N ZINC000786442272 581440989 /nfs/dbraw/zinc/44/09/89/581440989.db2.gz RIHGURNNEZYSSE-MDZLAQPJSA-N 1 2 279.340 0.290 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)OC ZINC000752778205 581516822 /nfs/dbraw/zinc/51/68/22/581516822.db2.gz KUDHTNMCLBASQW-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)OC ZINC000752778205 581516824 /nfs/dbraw/zinc/51/68/24/581516824.db2.gz KUDHTNMCLBASQW-QWRGUYRKSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000753233372 581532736 /nfs/dbraw/zinc/53/27/36/581532736.db2.gz XNBVSLVHRJTPKJ-UHFFFAOYSA-N 1 2 271.280 0.042 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000753272727 581534371 /nfs/dbraw/zinc/53/43/71/581534371.db2.gz FZPJMXBTVJTTKH-KRWDZBQOSA-N 1 2 284.359 0.910 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000753272727 581534372 /nfs/dbraw/zinc/53/43/72/581534372.db2.gz FZPJMXBTVJTTKH-KRWDZBQOSA-N 1 2 284.359 0.910 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000766028607 581547350 /nfs/dbraw/zinc/54/73/50/581547350.db2.gz DAWSBRZJZLEINY-SSDOTTSWSA-N 1 2 292.255 0.774 20 30 CCEDLO Cc1ccc(C#N)c(N2CC[NH+](CC[S@](C)=O)CC2)n1 ZINC000766410003 581565302 /nfs/dbraw/zinc/56/53/02/581565302.db2.gz IVBFMNVMAKWXNN-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@@H](C)CCOC)CC1 ZINC000766479375 581568292 /nfs/dbraw/zinc/56/82/92/581568292.db2.gz USHWAZUVEOUOMJ-ZDUSSCGKSA-N 1 2 288.413 0.382 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000767045519 581593620 /nfs/dbraw/zinc/59/36/20/581593620.db2.gz RZKHPKOVGNCNLX-UHFFFAOYSA-N 1 2 252.358 0.827 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nc1 ZINC000729449470 581594510 /nfs/dbraw/zinc/59/45/10/581594510.db2.gz USJRLDMJNZQQAV-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C=CCCOCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767518150 581616992 /nfs/dbraw/zinc/61/69/92/581616992.db2.gz GVFCLCPBTSCICE-BETUJISGSA-N 1 2 269.341 0.986 20 30 CCEDLO C=CCCOCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767518150 581616995 /nfs/dbraw/zinc/61/69/95/581616995.db2.gz GVFCLCPBTSCICE-BETUJISGSA-N 1 2 269.341 0.986 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000767918646 581636457 /nfs/dbraw/zinc/63/64/57/581636457.db2.gz NOSMXMQTSBFYDK-GFCCVEGCSA-N 1 2 292.301 0.761 20 30 CCEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCNC(=O)C1 ZINC000740875651 581721509 /nfs/dbraw/zinc/72/15/09/581721509.db2.gz BECRIOKIMQNPSH-UHFFFAOYSA-N 1 2 289.335 0.768 20 30 CCEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCNC(=O)C1 ZINC000740875651 581721510 /nfs/dbraw/zinc/72/15/10/581721510.db2.gz BECRIOKIMQNPSH-UHFFFAOYSA-N 1 2 289.335 0.768 20 30 CCEDLO C[N@H+](CCn1cccn1)Cn1cccc(C#N)c1=O ZINC000758224758 581729091 /nfs/dbraw/zinc/72/90/91/581729091.db2.gz LGMJHYQDVFHQSD-UHFFFAOYSA-N 1 2 257.297 0.506 20 30 CCEDLO C[N@@H+](CCn1cccn1)Cn1cccc(C#N)c1=O ZINC000758224758 581729092 /nfs/dbraw/zinc/72/90/92/581729092.db2.gz LGMJHYQDVFHQSD-UHFFFAOYSA-N 1 2 257.297 0.506 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000770490213 581746972 /nfs/dbraw/zinc/74/69/72/581746972.db2.gz HAWDAJQKFJNZDK-UHFFFAOYSA-N 1 2 269.308 0.349 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731843740 581783489 /nfs/dbraw/zinc/78/34/89/581783489.db2.gz WTXZLHNYHWVGTL-PSASIEDQSA-N 1 2 264.247 0.123 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731843740 581783490 /nfs/dbraw/zinc/78/34/90/581783490.db2.gz WTXZLHNYHWVGTL-PSASIEDQSA-N 1 2 264.247 0.123 20 30 CCEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(N)cc1 ZINC000731929367 581791484 /nfs/dbraw/zinc/79/14/84/581791484.db2.gz OKGAQDUUMPTGFZ-UHFFFAOYSA-N 1 2 279.369 0.203 20 30 CCEDLO CC(=NOCC(N)=O)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000771578805 581810720 /nfs/dbraw/zinc/81/07/20/581810720.db2.gz RTYVPGYNWMGMJK-HNNXBMFYSA-N 1 2 291.351 0.938 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccnc2)CC1 ZINC000732307468 581819360 /nfs/dbraw/zinc/81/93/60/581819360.db2.gz FYMQRXSBTQMYQT-UHFFFAOYSA-N 1 2 259.309 0.238 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cnn(C)c2)CC1 ZINC000772123571 581844047 /nfs/dbraw/zinc/84/40/47/581844047.db2.gz SQSNLHWGGWEVCR-UHFFFAOYSA-N 1 2 289.335 0.491 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\CCC)CC1 ZINC000733150481 581868423 /nfs/dbraw/zinc/86/84/23/581868423.db2.gz KSOGDPPULPEFDJ-VURMDHGXSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\CCC)CC1 ZINC000733150481 581868425 /nfs/dbraw/zinc/86/84/25/581868425.db2.gz KSOGDPPULPEFDJ-VURMDHGXSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)nc3n[nH]c(C)c32)CC1 ZINC000733162068 581869517 /nfs/dbraw/zinc/86/95/17/581869517.db2.gz DFVWHWBPKULCAN-UHFFFAOYSA-N 1 2 297.362 0.966 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000745947082 581891568 /nfs/dbraw/zinc/89/15/68/581891568.db2.gz RLQSSXMUTDNXDD-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000745947082 581891569 /nfs/dbraw/zinc/89/15/69/581891569.db2.gz RLQSSXMUTDNXDD-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO N#Cc1ccc(NCC(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747693625 581950214 /nfs/dbraw/zinc/95/02/14/581950214.db2.gz LXKPCFGAPNBWKH-UHFFFAOYSA-N 1 2 289.335 0.846 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000747828796 581954456 /nfs/dbraw/zinc/95/44/56/581954456.db2.gz RBPGYVSWZMJXQU-UHFFFAOYSA-N 1 2 263.272 0.730 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000774555223 581979726 /nfs/dbraw/zinc/97/97/26/581979726.db2.gz GKGOSCVDAVKOTF-UHFFFAOYSA-N 1 2 289.339 0.095 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000749810809 582023518 /nfs/dbraw/zinc/02/35/18/582023518.db2.gz NGDUKOCVZIFFIS-LJQANCHMSA-N 1 2 278.377 0.605 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000749810809 582023520 /nfs/dbraw/zinc/02/35/20/582023520.db2.gz NGDUKOCVZIFFIS-LJQANCHMSA-N 1 2 278.377 0.605 20 30 CCEDLO N#Cc1cnn(C(=O)[C@H]2CCn3c[nH+]cc3C2)c1N ZINC000763994082 582024639 /nfs/dbraw/zinc/02/46/39/582024639.db2.gz RVHYLEVPBSGIMV-QMMMGPOBSA-N 1 2 256.269 0.436 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)[C@H]1CCCO1 ZINC000776000717 582048526 /nfs/dbraw/zinc/04/85/26/582048526.db2.gz MLYXEEPJBVLGHZ-CHWSQXEVSA-N 1 2 291.351 0.867 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC3(CC2)OCCO3)c1=O ZINC000750608478 582053041 /nfs/dbraw/zinc/05/30/41/582053041.db2.gz VLTYHUKWPPCVHT-UHFFFAOYSA-N 1 2 275.308 0.516 20 30 CCEDLO C#CCOCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000764889184 582075145 /nfs/dbraw/zinc/07/51/45/582075145.db2.gz WBVXELSXFQITBI-UHFFFAOYSA-N 1 2 262.313 0.375 20 30 CCEDLO C#CCOCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000764889184 582075146 /nfs/dbraw/zinc/07/51/46/582075146.db2.gz WBVXELSXFQITBI-UHFFFAOYSA-N 1 2 262.313 0.375 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086306 582100343 /nfs/dbraw/zinc/10/03/43/582100343.db2.gz DLHZBOOHXYNKSA-GWCFXTLKSA-N 1 2 285.319 0.334 20 30 CCEDLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000752086306 582100344 /nfs/dbraw/zinc/10/03/44/582100344.db2.gz DLHZBOOHXYNKSA-GWCFXTLKSA-N 1 2 285.319 0.334 20 30 CCEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000877480524 613114413 /nfs/dbraw/zinc/11/44/13/613114413.db2.gz XYLXEPGWGGBUEP-VIFPVBQESA-N 1 2 270.329 0.927 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000877480524 613114414 /nfs/dbraw/zinc/11/44/14/613114414.db2.gz XYLXEPGWGGBUEP-VIFPVBQESA-N 1 2 270.329 0.927 20 30 CCEDLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)CCO ZINC000121418128 614936859 /nfs/dbraw/zinc/93/68/59/614936859.db2.gz DQTRPDCEHMEFMO-JTQLQIEISA-N 1 2 259.350 0.743 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000880559510 616560011 /nfs/dbraw/zinc/56/00/11/616560011.db2.gz OIEZPIONBWDJKE-CMPLNLGQSA-N 1 2 251.286 0.040 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000880559510 616560013 /nfs/dbraw/zinc/56/00/13/616560013.db2.gz OIEZPIONBWDJKE-CMPLNLGQSA-N 1 2 251.286 0.040 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000830786681 612998930 /nfs/dbraw/zinc/99/89/30/612998930.db2.gz AAGVLJZGYYOKBN-QWHCGFSZSA-N 1 2 268.357 0.204 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000914308026 613025138 /nfs/dbraw/zinc/02/51/38/613025138.db2.gz LDQKJZVOCBOINE-LBPRGKRZSA-N 1 2 264.329 0.347 20 30 CCEDLO C#CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805113078 613047416 /nfs/dbraw/zinc/04/74/16/613047416.db2.gz STLCQLGHDNMMNG-CHWSQXEVSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCCOC(=O)N1CC[NH+](CCOCC)CC1 ZINC000858969553 613048999 /nfs/dbraw/zinc/04/89/99/613048999.db2.gz OTWJTDFCSCOINT-UHFFFAOYSA-N 1 2 254.330 0.800 20 30 CCEDLO N#CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826382313 608673264 /nfs/dbraw/zinc/67/32/64/608673264.db2.gz YCSUDGSBPNRACZ-UHFFFAOYSA-N 1 2 289.368 0.569 20 30 CCEDLO C#CC[N@@H+](CCCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000119076853 613107497 /nfs/dbraw/zinc/10/74/97/613107497.db2.gz SHAKOICLLGPUEX-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+](CCCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000119076853 613107499 /nfs/dbraw/zinc/10/74/99/613107499.db2.gz SHAKOICLLGPUEX-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000828062486 613107618 /nfs/dbraw/zinc/10/76/18/613107618.db2.gz JUBSYAQIWCXRKF-KGLIPLIRSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000828062486 613107619 /nfs/dbraw/zinc/10/76/19/613107619.db2.gz JUBSYAQIWCXRKF-KGLIPLIRSA-N 1 2 285.409 0.925 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nccs1 ZINC000911906652 613878864 /nfs/dbraw/zinc/87/88/64/613878864.db2.gz QRQQIZGDGBQSQH-ZETCQYMHSA-N 1 2 255.299 0.528 20 30 CCEDLO C#CCCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000876531940 612976560 /nfs/dbraw/zinc/97/65/60/612976560.db2.gz UNCWNWFQZOXUBY-ZDUSSCGKSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782430 612951681 /nfs/dbraw/zinc/95/16/81/612951681.db2.gz SLWPLZUZLZQGKA-NSHDSACASA-N 1 2 285.303 0.937 20 30 CCEDLO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn[nH]1 ZINC000960281631 612971443 /nfs/dbraw/zinc/97/14/43/612971443.db2.gz ORUJGLZXJBBDSW-TZMCWYRMSA-N 1 2 281.319 0.423 20 30 CCEDLO C#CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000876531940 612976559 /nfs/dbraw/zinc/97/65/59/612976559.db2.gz UNCWNWFQZOXUBY-ZDUSSCGKSA-N 1 2 280.368 0.934 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838499156 612981684 /nfs/dbraw/zinc/98/16/84/612981684.db2.gz HCBXAXPJLITKEZ-BETUJISGSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838499156 612981685 /nfs/dbraw/zinc/98/16/85/612981685.db2.gz HCBXAXPJLITKEZ-BETUJISGSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CCOCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000852052163 612982912 /nfs/dbraw/zinc/98/29/12/612982912.db2.gz JWXQTBJFXJZPOR-SNVBAGLBSA-N 1 2 250.302 0.340 20 30 CCEDLO C#CCOCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000852052163 612982913 /nfs/dbraw/zinc/98/29/13/612982913.db2.gz JWXQTBJFXJZPOR-SNVBAGLBSA-N 1 2 250.302 0.340 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000853620288 612989084 /nfs/dbraw/zinc/98/90/84/612989084.db2.gz XSAWCQBCMONBJH-UHFFFAOYSA-N 1 2 295.339 0.115 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000853620288 612989086 /nfs/dbraw/zinc/98/90/86/612989086.db2.gz XSAWCQBCMONBJH-UHFFFAOYSA-N 1 2 295.339 0.115 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)ncn2)C1 ZINC000949909552 612991570 /nfs/dbraw/zinc/99/15/70/612991570.db2.gz WREAGVHQIYORKF-UHFFFAOYSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2OC)C1 ZINC000957329206 612992999 /nfs/dbraw/zinc/99/29/99/612992999.db2.gz XTNFDPXQMMQKKW-UHFFFAOYSA-N 1 2 290.367 0.598 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846067573 613060588 /nfs/dbraw/zinc/06/05/88/613060588.db2.gz UCKWMRYLIPQZDO-ZDUSSCGKSA-N 1 2 275.352 0.652 20 30 CCEDLO C#CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)C1CC1 ZINC000907400634 613064917 /nfs/dbraw/zinc/06/49/17/613064917.db2.gz PVKORDQAQBUTFZ-ACCUITESSA-N 1 2 262.353 0.889 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CCOCC1 ZINC000851990705 613097014 /nfs/dbraw/zinc/09/70/14/613097014.db2.gz ZPJKSKYUUPLCBB-GXTWGEPZSA-N 1 2 290.367 0.999 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793855 613099224 /nfs/dbraw/zinc/09/92/24/613099224.db2.gz LPGWRFFPMQUCAY-CYBMUJFWSA-N 1 2 276.336 0.109 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000821771616 613109944 /nfs/dbraw/zinc/10/99/44/613109944.db2.gz HTIQJVXARBNHCT-AXFHLTTASA-N 1 2 252.289 0.427 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000821771616 613109946 /nfs/dbraw/zinc/10/99/46/613109946.db2.gz HTIQJVXARBNHCT-AXFHLTTASA-N 1 2 252.289 0.427 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)SC)CC2)C1 ZINC000941380987 613114970 /nfs/dbraw/zinc/11/49/70/613114970.db2.gz VISFNYXHSGBQGF-CQSZACIVSA-N 1 2 295.452 0.590 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)C1 ZINC000941525731 613115171 /nfs/dbraw/zinc/11/51/71/613115171.db2.gz WCLIAVXGXLLSEE-KRWDZBQOSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)C=CCC3)CC2)C1 ZINC000941525733 613115707 /nfs/dbraw/zinc/11/57/07/613115707.db2.gz WCLIAVXGXLLSEE-QGZVFWFLSA-N 1 2 287.407 0.804 20 30 CCEDLO C#C[C@H](CC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000854076801 613119599 /nfs/dbraw/zinc/11/95/99/613119599.db2.gz ZHBNKUQYOYSSPO-QWHCGFSZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@H](CC)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907715002 613122067 /nfs/dbraw/zinc/12/20/67/613122067.db2.gz MJJAQGOEFOGUDT-CQSZACIVSA-N 1 2 289.379 0.962 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(COC)on2)CC1 ZINC000982100215 613157297 /nfs/dbraw/zinc/15/72/97/613157297.db2.gz ALWUHDPJFSMKJU-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(COC)on2)CC1 ZINC000982100215 613157299 /nfs/dbraw/zinc/15/72/99/613157299.db2.gz ALWUHDPJFSMKJU-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555393 613172786 /nfs/dbraw/zinc/17/27/86/613172786.db2.gz PMXYCJYROZPRNP-REWJHTLYSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C1 ZINC000923555393 613172788 /nfs/dbraw/zinc/17/27/88/613172788.db2.gz PMXYCJYROZPRNP-REWJHTLYSA-N 1 2 274.364 0.815 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000884263205 613186851 /nfs/dbraw/zinc/18/68/51/613186851.db2.gz FXTRZDAGDALVPE-SYTFOFBDSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000884263205 613186853 /nfs/dbraw/zinc/18/68/53/613186853.db2.gz FXTRZDAGDALVPE-SYTFOFBDSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)on2)C1 ZINC000923561602 613191111 /nfs/dbraw/zinc/19/11/11/613191111.db2.gz HEQVCRYSSLIVMU-JTQLQIEISA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)on2)C1 ZINC000923561602 613191113 /nfs/dbraw/zinc/19/11/13/613191113.db2.gz HEQVCRYSSLIVMU-JTQLQIEISA-N 1 2 291.307 0.289 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cncc(O)c2)C1 ZINC000923561461 613191607 /nfs/dbraw/zinc/19/16/07/613191607.db2.gz YQPDHWRMVLXUQV-LBPRGKRZSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cncc(O)c2)C1 ZINC000923561461 613191608 /nfs/dbraw/zinc/19/16/08/613191608.db2.gz YQPDHWRMVLXUQV-LBPRGKRZSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC(F)(F)F)C1 ZINC000885509016 613192893 /nfs/dbraw/zinc/19/28/93/613192893.db2.gz OICDPLZMADAAEL-JTQLQIEISA-N 1 2 298.330 0.956 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC(F)(F)F)C1 ZINC000885509016 613192894 /nfs/dbraw/zinc/19/28/94/613192894.db2.gz OICDPLZMADAAEL-JTQLQIEISA-N 1 2 298.330 0.956 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)COC)C1 ZINC000885512226 613193079 /nfs/dbraw/zinc/19/30/79/613193079.db2.gz UMPTZUUMHVTOSP-OLZOCXBDSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)COC)C1 ZINC000885512226 613193080 /nfs/dbraw/zinc/19/30/80/613193080.db2.gz UMPTZUUMHVTOSP-OLZOCXBDSA-N 1 2 288.413 0.286 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000929138128 613195089 /nfs/dbraw/zinc/19/50/89/613195089.db2.gz PBNCKKMUYJFOOH-UHFFFAOYSA-N 1 2 271.320 0.428 20 30 CCEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)C2)cc1 ZINC000929138128 613195091 /nfs/dbraw/zinc/19/50/91/613195091.db2.gz PBNCKKMUYJFOOH-UHFFFAOYSA-N 1 2 271.320 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(C(=O)OC)co1 ZINC000871061560 613200256 /nfs/dbraw/zinc/20/02/56/613200256.db2.gz XDRGPVVSOGKOGM-ZDUSSCGKSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C(=O)OC)co1 ZINC000871061560 613200259 /nfs/dbraw/zinc/20/02/59/613200259.db2.gz XDRGPVVSOGKOGM-ZDUSSCGKSA-N 1 2 290.319 0.780 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000855260993 613202168 /nfs/dbraw/zinc/20/21/68/613202168.db2.gz FCEDUTOPMLEUFK-OLZOCXBDSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000855260993 613202171 /nfs/dbraw/zinc/20/21/71/613202171.db2.gz FCEDUTOPMLEUFK-OLZOCXBDSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)OC[C@H]2C)CC1 ZINC000844389457 613205463 /nfs/dbraw/zinc/20/54/63/613205463.db2.gz JKQVGJIVDWZIOV-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)OC[C@H]2C)CC1 ZINC000844389457 613205466 /nfs/dbraw/zinc/20/54/66/613205466.db2.gz JKQVGJIVDWZIOV-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC000823849976 613209765 /nfs/dbraw/zinc/20/97/65/613209765.db2.gz FJQWUDFVCFECNJ-UHFFFAOYSA-N 1 2 283.339 0.325 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(F)F)CC2)C1 ZINC000949263482 613210182 /nfs/dbraw/zinc/21/01/82/613210182.db2.gz PRQBANBPLFVRNV-UHFFFAOYSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(F)F)CC2)C1 ZINC000949263482 613210183 /nfs/dbraw/zinc/21/01/83/613210183.db2.gz PRQBANBPLFVRNV-UHFFFAOYSA-N 1 2 272.295 0.578 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294603 613211168 /nfs/dbraw/zinc/21/11/68/613211168.db2.gz NHXMBHGNIQONOX-HNNXBMFYSA-N 1 2 289.335 0.154 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000972294603 613211171 /nfs/dbraw/zinc/21/11/71/613211171.db2.gz NHXMBHGNIQONOX-HNNXBMFYSA-N 1 2 289.335 0.154 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC000913452420 613213584 /nfs/dbraw/zinc/21/35/84/613213584.db2.gz GFOAIFPEEHWKGB-AWEZNQCLSA-N 1 2 281.319 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308883 613216707 /nfs/dbraw/zinc/21/67/07/613216707.db2.gz DVPOGMAPRWDYBK-OCCSQVGLSA-N 1 2 287.363 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308883 613216709 /nfs/dbraw/zinc/21/67/09/613216709.db2.gz DVPOGMAPRWDYBK-OCCSQVGLSA-N 1 2 287.363 0.459 20 30 CCEDLO C/C(=C/C(=O)N1CC[C@@](O)(CC#N)C1)C[NH+]1CCOCC1 ZINC000911526539 613232895 /nfs/dbraw/zinc/23/28/95/613232895.db2.gz JRCLXLGATVRSCX-WVUXNXBLSA-N 1 2 293.367 0.142 20 30 CCEDLO C=C(C)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935272970 613282497 /nfs/dbraw/zinc/28/24/97/613282497.db2.gz HRJHPYRFAUOUNG-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000949759949 613295062 /nfs/dbraw/zinc/29/50/62/613295062.db2.gz SRRPAUQDRDXRQK-CHWSQXEVSA-N 1 2 280.368 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC000969738609 613298362 /nfs/dbraw/zinc/29/83/62/613298362.db2.gz HDMPCDGOOJEUKI-SNVBAGLBSA-N 1 2 286.397 0.044 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C=C)C(=O)OC)CC1 ZINC000800336627 613323639 /nfs/dbraw/zinc/32/36/39/613323639.db2.gz XCUARCLAWKWVHX-GFCCVEGCSA-N 1 2 264.325 0.175 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000823509270 613328198 /nfs/dbraw/zinc/32/81/98/613328198.db2.gz KKJQKHRRLFSJQU-OAHLLOKOSA-N 1 2 280.368 0.790 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000823509270 613328200 /nfs/dbraw/zinc/32/82/00/613328200.db2.gz KKJQKHRRLFSJQU-OAHLLOKOSA-N 1 2 280.368 0.790 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000845595066 613353339 /nfs/dbraw/zinc/35/33/39/613353339.db2.gz QCBOEPBDSZGYJE-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000845595066 613353340 /nfs/dbraw/zinc/35/33/40/613353340.db2.gz QCBOEPBDSZGYJE-UHFFFAOYSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000906776806 613363002 /nfs/dbraw/zinc/36/30/02/613363002.db2.gz FGORMNLKYJZAKE-GBJTYRQASA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000906776806 613363003 /nfs/dbraw/zinc/36/30/03/613363003.db2.gz FGORMNLKYJZAKE-GBJTYRQASA-N 1 2 295.427 0.718 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000970291231 613372097 /nfs/dbraw/zinc/37/20/97/613372097.db2.gz AFSRRMSLLINYJK-JQWIXIFHSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COC(=O)N2)C1 ZINC000969591096 613372179 /nfs/dbraw/zinc/37/21/79/613372179.db2.gz LHZOXABDVAJRIJ-WCBMZHEXSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1 ZINC000957899276 613380430 /nfs/dbraw/zinc/38/04/30/613380430.db2.gz ZHXZLINHKNRZDU-MWLCHTKSSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1 ZINC000957899276 613380431 /nfs/dbraw/zinc/38/04/31/613380431.db2.gz ZHXZLINHKNRZDU-MWLCHTKSSA-N 1 2 285.731 0.450 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041735 613381431 /nfs/dbraw/zinc/38/14/31/613381431.db2.gz NYZGPRYBJUSIKV-MNOVXSKESA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000958041735 613381432 /nfs/dbraw/zinc/38/14/32/613381432.db2.gz NYZGPRYBJUSIKV-MNOVXSKESA-N 1 2 298.774 0.493 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960740678 613383219 /nfs/dbraw/zinc/38/32/19/613383219.db2.gz JFBMPJDYLZDLKW-MBTKJCJQSA-N 1 2 267.720 0.217 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960740678 613383220 /nfs/dbraw/zinc/38/32/20/613383220.db2.gz JFBMPJDYLZDLKW-MBTKJCJQSA-N 1 2 267.720 0.217 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(N2CCOCC2)CC1 ZINC000878968206 613396861 /nfs/dbraw/zinc/39/68/61/613396861.db2.gz LRWZHXTZOITVDR-AWEZNQCLSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897649031 613404279 /nfs/dbraw/zinc/40/42/79/613404279.db2.gz MUIPFHHUZUKCGU-GXFFZTMASA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897649031 613404280 /nfs/dbraw/zinc/40/42/80/613404280.db2.gz MUIPFHHUZUKCGU-GXFFZTMASA-N 1 2 278.356 0.843 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCCS(C)(=O)=O)C(=O)OC ZINC000905773324 613405772 /nfs/dbraw/zinc/40/57/72/613405772.db2.gz SDTFAOQKXQNFGJ-SNVBAGLBSA-N 1 2 263.359 0.519 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000878544365 613413101 /nfs/dbraw/zinc/41/31/01/613413101.db2.gz JHDUIWWDWATMBG-OUCADQQQSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000878544365 613413103 /nfs/dbraw/zinc/41/31/03/613413103.db2.gz JHDUIWWDWATMBG-OUCADQQQSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H]([NH2+]CCCCS(C)(=O)=O)C(=O)OC ZINC000905773323 613419126 /nfs/dbraw/zinc/41/91/26/613419126.db2.gz SDTFAOQKXQNFGJ-JTQLQIEISA-N 1 2 263.359 0.519 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)nn1 ZINC000857977723 613430163 /nfs/dbraw/zinc/43/01/63/613430163.db2.gz YNLLWPYSRKIIMM-SECBINFHSA-N 1 2 258.285 0.535 20 30 CCEDLO C=CCn1nnn(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811787025 613439843 /nfs/dbraw/zinc/43/98/43/613439843.db2.gz FCVFETPYQPIMNR-UHFFFAOYSA-N 1 2 277.357 0.665 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000844285768 613446781 /nfs/dbraw/zinc/44/67/81/613446781.db2.gz ITWOLHCEEQCXPJ-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923086754 613446785 /nfs/dbraw/zinc/44/67/85/613446785.db2.gz PBXBXFCSZQCOCD-VXGBXAGGSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CCC1(O)CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000886771897 613460099 /nfs/dbraw/zinc/46/00/99/613460099.db2.gz PKOHPSSVXFFTJS-UHFFFAOYSA-N 1 2 292.387 0.423 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912614644 613476724 /nfs/dbraw/zinc/47/67/24/613476724.db2.gz PBFFDRXZHRLQGY-FZMZJTMJSA-N 1 2 281.356 0.799 20 30 CCEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](CCOCC)CC1 ZINC000845632560 613485291 /nfs/dbraw/zinc/48/52/91/613485291.db2.gz KWJWYIBMEOXICG-LBPRGKRZSA-N 1 2 271.361 0.856 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927764890 613496189 /nfs/dbraw/zinc/49/61/89/613496189.db2.gz JUFGQFFCEHWATQ-VIFPVBQESA-N 1 2 255.343 0.368 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823310935 613496817 /nfs/dbraw/zinc/49/68/17/613496817.db2.gz HGVKOJMJZBRZFO-QWRGUYRKSA-N 1 2 251.330 0.961 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000981887310 613501906 /nfs/dbraw/zinc/50/19/06/613501906.db2.gz AHMFKSMQEHIANI-SWLSCSKDSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000981887310 613501907 /nfs/dbraw/zinc/50/19/07/613501907.db2.gz AHMFKSMQEHIANI-SWLSCSKDSA-N 1 2 281.400 0.997 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC000948590035 613561639 /nfs/dbraw/zinc/56/16/39/613561639.db2.gz DHFMMFUKEGEEHL-UHFFFAOYSA-N 1 2 274.368 0.520 20 30 CCEDLO C=CCCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923771641 613570494 /nfs/dbraw/zinc/57/04/94/613570494.db2.gz BVQKMRUDDHGGRT-OLZOCXBDSA-N 1 2 269.341 0.986 20 30 CCEDLO C=CC[N@H+](CN1C[C@H](OC)CC1=O)[C@@H](C)COC ZINC000853533947 613651451 /nfs/dbraw/zinc/65/14/51/613651451.db2.gz FGLIQBDWOARLMX-NWDGAFQWSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@H](OC)CC1=O)[C@@H](C)COC ZINC000853533947 613651453 /nfs/dbraw/zinc/65/14/53/613651453.db2.gz FGLIQBDWOARLMX-NWDGAFQWSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000950457350 613654871 /nfs/dbraw/zinc/65/48/71/613654871.db2.gz CPJXZCKWXJXVSC-NSHDSACASA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000951189441 613655411 /nfs/dbraw/zinc/65/54/11/613655411.db2.gz AAALPXUGPWZUGL-LBPRGKRZSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000957765924 613708378 /nfs/dbraw/zinc/70/83/78/613708378.db2.gz SNOPDKKPAPUARO-UHFFFAOYSA-N 1 2 262.357 0.683 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000949205415 613708768 /nfs/dbraw/zinc/70/87/68/613708768.db2.gz MCRRAXOQCROFKU-LBPRGKRZSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC000948742593 613709979 /nfs/dbraw/zinc/70/99/79/613709979.db2.gz RGZNDADNNLMABO-UHFFFAOYSA-N 1 2 275.356 0.486 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000950347309 613711249 /nfs/dbraw/zinc/71/12/49/613711249.db2.gz NAIJFDLQLKYAQS-QWHCGFSZSA-N 1 2 252.358 0.989 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000948948176 613713583 /nfs/dbraw/zinc/71/35/83/613713583.db2.gz GYSGCRURDPYLFL-ZDUSSCGKSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CCN1CCN(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000840054950 613721937 /nfs/dbraw/zinc/72/19/37/613721937.db2.gz OFHLPUVZLYINKY-TXEJJXNPSA-N 1 2 269.345 0.213 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C1=O ZINC000840054950 613721940 /nfs/dbraw/zinc/72/19/40/613721940.db2.gz OFHLPUVZLYINKY-TXEJJXNPSA-N 1 2 269.345 0.213 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(N)nn2)C1=O ZINC000904343501 613738313 /nfs/dbraw/zinc/73/83/13/613738313.db2.gz UQSVXQBGMJMMFX-LLVKDONJSA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N)nn2)C1=O ZINC000904343501 613738317 /nfs/dbraw/zinc/73/83/17/613738317.db2.gz UQSVXQBGMJMMFX-LLVKDONJSA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)C1 ZINC000884044941 613877663 /nfs/dbraw/zinc/87/76/63/613877663.db2.gz BAXHXPNODNUTEO-QWRGUYRKSA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000884412862 613877903 /nfs/dbraw/zinc/87/79/03/613877903.db2.gz CFEDFFQVDXQIRS-MXWKQRLJSA-N 1 2 252.314 0.301 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)CC(F)F ZINC000884373407 613878251 /nfs/dbraw/zinc/87/82/51/613878251.db2.gz LTABLXUSCOZSLC-IUCAKERBSA-N 1 2 278.299 0.841 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ncccc1C ZINC000884207057 613878599 /nfs/dbraw/zinc/87/85/99/613878599.db2.gz LLOQBDHFTAXIEK-NSHDSACASA-N 1 2 277.324 0.453 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000884319749 613878698 /nfs/dbraw/zinc/87/86/98/613878698.db2.gz CJSOBIOMDMVFBL-RWMBFGLXSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913468214 613879179 /nfs/dbraw/zinc/87/91/79/613879179.db2.gz JGFWRHGCYYJIOB-GFCCVEGCSA-N 1 2 264.329 0.096 20 30 CCEDLO C=CCOC[C@@H](NC(=O)CNc1cccc[nH+]1)C(=O)OC ZINC000907928954 613881719 /nfs/dbraw/zinc/88/17/19/613881719.db2.gz XVIKQQVTUAROQN-LLVKDONJSA-N 1 2 293.323 0.354 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857865545 613885941 /nfs/dbraw/zinc/88/59/41/613885941.db2.gz NYWQXFUGSZFBRD-NSHDSACASA-N 1 2 269.370 0.978 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2coc(C#N)c2)CCO1 ZINC000865093115 614656710 /nfs/dbraw/zinc/65/67/10/614656710.db2.gz FLLLWZPOEPKBRJ-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2coc(C#N)c2)CCO1 ZINC000865093115 614656711 /nfs/dbraw/zinc/65/67/11/614656711.db2.gz FLLLWZPOEPKBRJ-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000865151767 614718909 /nfs/dbraw/zinc/71/89/09/614718909.db2.gz AYASFZLSGBPWDK-HNNXBMFYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000865151767 614718910 /nfs/dbraw/zinc/71/89/10/614718910.db2.gz AYASFZLSGBPWDK-HNNXBMFYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(C#N)cn2)CO1 ZINC000846876704 614813042 /nfs/dbraw/zinc/81/30/42/614813042.db2.gz XORJVSNCBZPLJR-UHFFFAOYSA-N 1 2 277.324 0.557 20 30 CCEDLO CCCN[NH+]=Cc1cnc(N2CCN(C)CC2)nc1 ZINC000755651631 614884094 /nfs/dbraw/zinc/88/40/94/614884094.db2.gz KBMVEYKNEAINAM-UHFFFAOYSA-N 1 2 262.361 0.562 20 30 CCEDLO CCN(CC)C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801910125 614982191 /nfs/dbraw/zinc/98/21/91/614982191.db2.gz LDMXQSDMDVSNSL-CYBMUJFWSA-N 1 2 282.388 0.994 20 30 CCEDLO CCOC(=O)c1ncc(C[NH2+][C@@H]2CCCN(O)C2=O)s1 ZINC000895194028 615195033 /nfs/dbraw/zinc/19/50/33/615195033.db2.gz ATBJKRKXLPIZOL-SECBINFHSA-N 1 2 299.352 0.790 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cnc(C#N)cn1 ZINC000895804569 615480504 /nfs/dbraw/zinc/48/05/04/615480504.db2.gz KMSVKQMRWLTILR-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CCOc1ccc(N2CC[NH+](C[C@H](O)CC#N)CC2)nn1 ZINC000931072914 615511526 /nfs/dbraw/zinc/51/15/26/615511526.db2.gz XVLXBNQNLIBPNH-GFCCVEGCSA-N 1 2 291.355 0.272 20 30 CCEDLO CCOc1cccc(C[NH2+][C@H]2CCCN(O)C2=O)n1 ZINC000895162367 615516818 /nfs/dbraw/zinc/51/68/18/615516818.db2.gz LBYDICGOVALYQH-NSHDSACASA-N 1 2 265.313 0.950 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971221828 615752961 /nfs/dbraw/zinc/75/29/61/615752961.db2.gz RHTBEUHYHKPFJH-NEPJUHHUSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971221828 615752963 /nfs/dbraw/zinc/75/29/63/615752963.db2.gz RHTBEUHYHKPFJH-NEPJUHHUSA-N 1 2 290.371 0.490 20 30 CCEDLO CN(C(=O)C[N@@H+]1CC=C[C@H]1CO)C1(C#N)CCCCC1 ZINC000880486542 615814173 /nfs/dbraw/zinc/81/41/73/615814173.db2.gz SSEIPOWCBYUNTB-ZDUSSCGKSA-N 1 2 277.368 0.904 20 30 CCEDLO CN(C(=O)C[N@H+]1CC=C[C@H]1CO)C1(C#N)CCCCC1 ZINC000880486542 615814175 /nfs/dbraw/zinc/81/41/75/615814175.db2.gz SSEIPOWCBYUNTB-ZDUSSCGKSA-N 1 2 277.368 0.904 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000871760099 615927517 /nfs/dbraw/zinc/92/75/17/615927517.db2.gz GJHALKZBSXAEBJ-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000871760099 615927518 /nfs/dbraw/zinc/92/75/18/615927518.db2.gz GJHALKZBSXAEBJ-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296201 616040020 /nfs/dbraw/zinc/04/00/20/616040020.db2.gz PGNPNYIBTOPBNV-CYBMUJFWSA-N 1 2 275.356 0.409 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1CO ZINC000913550004 616229371 /nfs/dbraw/zinc/22/93/71/616229371.db2.gz KVUKWCXORXHUIO-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1CO ZINC000913550004 616229372 /nfs/dbraw/zinc/22/93/72/616229372.db2.gz KVUKWCXORXHUIO-JTQLQIEISA-N 1 2 295.289 0.585 20 30 CCEDLO C[NH+]1CCN(N=C2C(=O)Nc3c2ccc(O)c3F)CC1 ZINC000841602984 616246221 /nfs/dbraw/zinc/24/62/21/616246221.db2.gz FDVVQTOCKMGJTR-UHFFFAOYSA-N 1 2 278.287 0.435 20 30 CCEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C#N)cc2)C1 ZINC000866377466 616262942 /nfs/dbraw/zinc/26/29/42/616262942.db2.gz VBNMWITYYGRBTB-ZDUSSCGKSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C#N)cc2)C1 ZINC000866377466 616262943 /nfs/dbraw/zinc/26/29/43/616262943.db2.gz VBNMWITYYGRBTB-ZDUSSCGKSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000921413499 616303339 /nfs/dbraw/zinc/30/33/39/616303339.db2.gz NKRQBCBITJLYOK-MRVPVSSYSA-N 1 2 255.299 0.134 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000921413499 616303344 /nfs/dbraw/zinc/30/33/44/616303344.db2.gz NKRQBCBITJLYOK-MRVPVSSYSA-N 1 2 255.299 0.134 20 30 CCEDLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928799884 616501406 /nfs/dbraw/zinc/50/14/06/616501406.db2.gz FZOMSZAQFCQWGZ-KHQFGBGNSA-N 1 2 279.262 0.402 20 30 CCEDLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928799884 616501407 /nfs/dbraw/zinc/50/14/07/616501407.db2.gz FZOMSZAQFCQWGZ-KHQFGBGNSA-N 1 2 279.262 0.402 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CNc1cccc[nH+]1 ZINC000913737491 616544462 /nfs/dbraw/zinc/54/44/62/616544462.db2.gz RAJIBHRULMIHHB-UHFFFAOYSA-N 1 2 276.296 0.409 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCO[C@H](C)C#N ZINC000879155819 616763888 /nfs/dbraw/zinc/76/38/88/616763888.db2.gz IUVDFNJLVXLUIA-WZRBSPASSA-N 1 2 270.329 0.567 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCO[C@H](C)C#N ZINC000879155819 616763893 /nfs/dbraw/zinc/76/38/93/616763893.db2.gz IUVDFNJLVXLUIA-WZRBSPASSA-N 1 2 270.329 0.567 20 30 CCEDLO CON(C)C(=O)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000895046170 617038648 /nfs/dbraw/zinc/03/86/48/617038648.db2.gz DOYVSEFUHJYJQP-UHFFFAOYSA-N 1 2 268.704 0.716 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000892230335 622679381 /nfs/dbraw/zinc/67/93/81/622679381.db2.gz XOXAHXFTQZRMRZ-AWEZNQCLSA-N 1 2 291.355 0.987 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC000972449663 622846335 /nfs/dbraw/zinc/84/63/35/622846335.db2.gz MICULVMUCQECQQ-QWHCGFSZSA-N 1 2 275.356 0.890 20 30 CCEDLO COC1C[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000311582909 623765690 /nfs/dbraw/zinc/76/56/90/623765690.db2.gz IMNTVGKGUMTTMZ-GFCCVEGCSA-N 1 2 262.309 0.629 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969135718 624466571 /nfs/dbraw/zinc/46/65/71/624466571.db2.gz NSDQVOJVWCUMLJ-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](N(C)CC#N)C2)c[nH+]1 ZINC000971777830 624907783 /nfs/dbraw/zinc/90/77/83/624907783.db2.gz HZKZBLCJVQILIO-ZDUSSCGKSA-N 1 2 289.383 0.983 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302492 624917587 /nfs/dbraw/zinc/91/75/87/624917587.db2.gz JUTXJVXVGZMDSC-SDDRHHMPSA-N 1 2 273.340 0.206 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(CC#N)CC1(C)C ZINC000977456829 625939356 /nfs/dbraw/zinc/93/93/56/625939356.db2.gz VUXUYJRAQKSARM-GFCCVEGCSA-N 1 2 275.356 0.313 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)CC#N)C1 ZINC000980269769 631007945 /nfs/dbraw/zinc/00/79/45/631007945.db2.gz MAUJEMGYBAPAME-NSHDSACASA-N 1 2 261.329 0.317 20 30 CCEDLO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000982680755 631572675 /nfs/dbraw/zinc/57/26/75/631572675.db2.gz URPZGDKHIOZNFQ-GASCZTMLSA-N 1 2 287.367 0.646 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968533077 650019167 /nfs/dbraw/zinc/01/91/67/650019167.db2.gz HCNGIEFKDLBAIZ-WCQYABFASA-N 1 2 275.356 0.313 20 30 CCEDLO N#CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCSCC1 ZINC000866971530 631693569 /nfs/dbraw/zinc/69/35/69/631693569.db2.gz FJBYJIHNXCIIFK-OWOJBTEDSA-N 1 2 295.408 0.780 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2cnc3n2CCOC3)C[C@H](C)N1CC#N ZINC000895969258 632183254 /nfs/dbraw/zinc/18/32/54/632183254.db2.gz JNBHHEXAUXSFCQ-BETUJISGSA-N 1 2 289.383 0.831 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2cnc3n2CCOC3)C[C@H](C)N1CC#N ZINC000895969258 632183260 /nfs/dbraw/zinc/18/32/60/632183260.db2.gz JNBHHEXAUXSFCQ-BETUJISGSA-N 1 2 289.383 0.831 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816232 632647862 /nfs/dbraw/zinc/64/78/62/632647862.db2.gz LWBOFJVUNJQYOX-UHFFFAOYSA-N 1 2 261.329 0.329 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC000990429749 633529858 /nfs/dbraw/zinc/52/98/58/633529858.db2.gz DWYCZFAXDWSFLF-UMNHJUIQSA-N 1 2 289.339 0.217 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2conc2COC)C1 ZINC001009167026 650139156 /nfs/dbraw/zinc/13/91/56/650139156.db2.gz IXAKGWCWHNYWQV-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2conc2COC)C1 ZINC001009167026 650139157 /nfs/dbraw/zinc/13/91/57/650139157.db2.gz IXAKGWCWHNYWQV-LLVKDONJSA-N 1 2 277.324 0.648 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC1C[C@@H](C)O[C@H](C)C1 ZINC000901310729 634224237 /nfs/dbraw/zinc/22/42/37/634224237.db2.gz ODOZFTYZRBYBHX-RKDXNWHRSA-N 1 2 279.344 0.947 20 30 CCEDLO NC(=[NH+]OC[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000902175044 634332650 /nfs/dbraw/zinc/33/26/50/634332650.db2.gz FGPMIRQZNCTKRH-MRVPVSSYSA-N 1 2 251.261 0.599 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261307 650195062 /nfs/dbraw/zinc/19/50/62/650195062.db2.gz YYAHSHIYBIJFDM-MNOVXSKESA-N 1 2 274.748 0.345 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010261307 650195065 /nfs/dbraw/zinc/19/50/65/650195065.db2.gz YYAHSHIYBIJFDM-MNOVXSKESA-N 1 2 274.748 0.345 20 30 CCEDLO C#CCOCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000158098462 637000946 /nfs/dbraw/zinc/00/09/46/637000946.db2.gz KFUHLABRHXZRAZ-UHFFFAOYSA-N 1 2 273.336 0.770 20 30 CCEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992150559 637324085 /nfs/dbraw/zinc/32/40/85/637324085.db2.gz HZYGODKXEFUWEJ-FZMZJTMJSA-N 1 2 276.315 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992150559 637324092 /nfs/dbraw/zinc/32/40/92/637324092.db2.gz HZYGODKXEFUWEJ-FZMZJTMJSA-N 1 2 276.315 0.909 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC000993020557 637664946 /nfs/dbraw/zinc/66/49/46/637664946.db2.gz XUDWNVBIDWGBJC-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC000993020557 637664950 /nfs/dbraw/zinc/66/49/50/637664950.db2.gz XUDWNVBIDWGBJC-MNOVXSKESA-N 1 2 298.778 0.395 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993724547 637835151 /nfs/dbraw/zinc/83/51/51/637835151.db2.gz AOAHEISFQMTGDT-NEPJUHHUSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993724547 637835156 /nfs/dbraw/zinc/83/51/56/637835156.db2.gz AOAHEISFQMTGDT-NEPJUHHUSA-N 1 2 290.367 0.732 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001015679206 637840957 /nfs/dbraw/zinc/84/09/57/637840957.db2.gz VNRRUNKLIZPQPZ-ZDUSSCGKSA-N 1 2 261.300 0.837 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCF)C2)c1 ZINC001015679206 637840962 /nfs/dbraw/zinc/84/09/62/637840962.db2.gz VNRRUNKLIZPQPZ-ZDUSSCGKSA-N 1 2 261.300 0.837 20 30 CCEDLO N#CCNC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996857619 638835056 /nfs/dbraw/zinc/83/50/56/638835056.db2.gz DCUSXUYQBAPROQ-UHFFFAOYSA-N 1 2 261.329 0.377 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC000947930779 638878213 /nfs/dbraw/zinc/87/82/13/638878213.db2.gz VDNHKKXUYKQBME-VXGBXAGGSA-N 1 2 275.356 0.455 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998387667 638914519 /nfs/dbraw/zinc/91/45/19/638914519.db2.gz CWEHNDWNEFTAME-HNNXBMFYSA-N 1 2 290.367 0.882 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999534952 638984737 /nfs/dbraw/zinc/98/47/37/638984737.db2.gz IGQKRFCRPQSTLA-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014618696 650468526 /nfs/dbraw/zinc/46/85/26/650468526.db2.gz SBZCQKARQMMNPX-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001014618696 650468528 /nfs/dbraw/zinc/46/85/28/650468528.db2.gz SBZCQKARQMMNPX-GHMZBOCLSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000569142 639122445 /nfs/dbraw/zinc/12/24/45/639122445.db2.gz MBPBNEMIZYLIBL-OAHLLOKOSA-N 1 2 290.367 0.882 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](NCC#N)C1 ZINC001000686694 639153011 /nfs/dbraw/zinc/15/30/11/639153011.db2.gz CYYCCWOWYJFFRV-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858251 650496944 /nfs/dbraw/zinc/49/69/44/650496944.db2.gz AVUWTRHVJJNHNS-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858251 650496946 /nfs/dbraw/zinc/49/69/46/650496946.db2.gz AVUWTRHVJJNHNS-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014984352 650511472 /nfs/dbraw/zinc/51/14/72/650511472.db2.gz SFRJEBKJPBRFFR-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015404241 650563383 /nfs/dbraw/zinc/56/33/83/650563383.db2.gz OYZCAVBXIPEECP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001015404241 650563387 /nfs/dbraw/zinc/56/33/87/650563387.db2.gz OYZCAVBXIPEECP-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@@H](C(=O)OCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC000798739821 640521296 /nfs/dbraw/zinc/52/12/96/640521296.db2.gz CIUWWVBIJMLQIC-JTQLQIEISA-N 1 2 274.284 0.541 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801921489 640674055 /nfs/dbraw/zinc/67/40/55/640674055.db2.gz FBHYXPBUQQPLSP-MNOVXSKESA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801921489 640674059 /nfs/dbraw/zinc/67/40/59/640674059.db2.gz FBHYXPBUQQPLSP-MNOVXSKESA-N 1 2 274.386 0.813 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000801932610 640676489 /nfs/dbraw/zinc/67/64/89/640676489.db2.gz RLAJOCDKOSTMHS-RISCZKNCSA-N 1 2 273.336 1.000 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000801932610 640676495 /nfs/dbraw/zinc/67/64/95/640676495.db2.gz RLAJOCDKOSTMHS-RISCZKNCSA-N 1 2 273.336 1.000 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001015810106 650632502 /nfs/dbraw/zinc/63/25/02/650632502.db2.gz ANCMSUSULXNAMK-SNVBAGLBSA-N 1 2 267.308 0.238 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001015810106 650632504 /nfs/dbraw/zinc/63/25/04/650632504.db2.gz ANCMSUSULXNAMK-SNVBAGLBSA-N 1 2 267.308 0.238 20 30 CCEDLO Cc1ccc2c([n-]cc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2=O)[nH+]1 ZINC000834521223 642601589 /nfs/dbraw/zinc/60/15/89/642601589.db2.gz FGOQOGNYWOBAMR-BXKDBHETSA-N 1 2 297.318 0.485 20 30 CCEDLO Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c2=O ZINC000834521223 642601600 /nfs/dbraw/zinc/60/16/00/642601600.db2.gz FGOQOGNYWOBAMR-BXKDBHETSA-N 1 2 297.318 0.485 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCO1 ZINC001017376483 650797460 /nfs/dbraw/zinc/79/74/60/650797460.db2.gz VNJHZPNCSYAPBL-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCO1 ZINC001017376483 650797465 /nfs/dbraw/zinc/79/74/65/650797465.db2.gz VNJHZPNCSYAPBL-MJBXVCDLSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@H]1CCOC1 ZINC001017554339 650810906 /nfs/dbraw/zinc/81/09/06/650810906.db2.gz WZRVUYMNEONYTB-MJBXVCDLSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@H]1CCOC1 ZINC001017554339 650810908 /nfs/dbraw/zinc/81/09/08/650810908.db2.gz WZRVUYMNEONYTB-MJBXVCDLSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C2CC2)nn1 ZINC001017609540 650813502 /nfs/dbraw/zinc/81/35/02/650813502.db2.gz QKDXNFDULONIAP-OKILXGFUSA-N 1 2 299.378 0.464 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C2CC2)nn1 ZINC001017609540 650813504 /nfs/dbraw/zinc/81/35/04/650813504.db2.gz QKDXNFDULONIAP-OKILXGFUSA-N 1 2 299.378 0.464 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(C)c1 ZINC001017704204 650818316 /nfs/dbraw/zinc/81/83/16/650818316.db2.gz CMKZSBHKPYWXBR-OKILXGFUSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(C)c1 ZINC001017704204 650818317 /nfs/dbraw/zinc/81/83/17/650818317.db2.gz CMKZSBHKPYWXBR-OKILXGFUSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001017700451 650818687 /nfs/dbraw/zinc/81/86/87/650818687.db2.gz ZDFDZLFXNIGTDU-SYQHCUMBSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001017700451 650818690 /nfs/dbraw/zinc/81/86/90/650818690.db2.gz ZDFDZLFXNIGTDU-SYQHCUMBSA-N 1 2 289.379 0.210 20 30 CCEDLO C[C@@H](C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372215 643212109 /nfs/dbraw/zinc/21/21/09/643212109.db2.gz XDQFIRXEHJZTRD-FZMZJTMJSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372215 643212118 /nfs/dbraw/zinc/21/21/18/643212118.db2.gz XDQFIRXEHJZTRD-FZMZJTMJSA-N 1 2 296.392 0.957 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001017823325 650825603 /nfs/dbraw/zinc/82/56/03/650825603.db2.gz LJRKEXZHHDWJDV-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001017823325 650825605 /nfs/dbraw/zinc/82/56/05/650825605.db2.gz LJRKEXZHHDWJDV-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001017978475 650838268 /nfs/dbraw/zinc/83/82/68/650838268.db2.gz LUXDBUMCFINHHV-YIYPIFLZSA-N 1 2 289.379 0.210 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001017978475 650838270 /nfs/dbraw/zinc/83/82/70/650838270.db2.gz LUXDBUMCFINHHV-YIYPIFLZSA-N 1 2 289.379 0.210 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccn1 ZINC001018082106 650842428 /nfs/dbraw/zinc/84/24/28/650842428.db2.gz SXYORBHFJCWRKH-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccn1 ZINC001018082106 650842430 /nfs/dbraw/zinc/84/24/30/650842430.db2.gz SXYORBHFJCWRKH-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000848129961 643597671 /nfs/dbraw/zinc/59/76/71/643597671.db2.gz CWQGDXDCEIQMLY-NXEZZACHSA-N 1 2 266.301 0.331 20 30 CCEDLO C=CC[N@@H+](CCC(OC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000851841382 643890926 /nfs/dbraw/zinc/89/09/26/643890926.db2.gz QHVFPNFSEYSCOP-LLVKDONJSA-N 1 2 277.386 0.671 20 30 CCEDLO C=CC[N@H+](CCC(OC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000851841382 643890930 /nfs/dbraw/zinc/89/09/30/643890930.db2.gz QHVFPNFSEYSCOP-LLVKDONJSA-N 1 2 277.386 0.671 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ncns2)CC1 ZINC000852127948 643932521 /nfs/dbraw/zinc/93/25/21/643932521.db2.gz ZKSVQXPGWINZEN-JTQLQIEISA-N 1 2 267.358 0.589 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431828 643963542 /nfs/dbraw/zinc/96/35/42/643963542.db2.gz VCVHTSUJWFRZHD-NWDGAFQWSA-N 1 2 262.313 0.956 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431828 643963549 /nfs/dbraw/zinc/96/35/49/643963549.db2.gz VCVHTSUJWFRZHD-NWDGAFQWSA-N 1 2 262.313 0.956 20 30 CCEDLO C=CC1CC[NH+](Cn2cc(C(=O)OC)nn2)CC1 ZINC000111166407 644090993 /nfs/dbraw/zinc/09/09/93/644090993.db2.gz CNVRXQWLOIHQAF-UHFFFAOYSA-N 1 2 250.302 0.920 20 30 CCEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000853369526 644103130 /nfs/dbraw/zinc/10/31/30/644103130.db2.gz ZGWJNQZHJGRYCM-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C#CC(C)C)C2 ZINC000854414418 644200757 /nfs/dbraw/zinc/20/07/57/644200757.db2.gz ZORHCZVWULQEDX-CYBMUJFWSA-N 1 2 289.379 0.817 20 30 CCEDLO C[C@H]([NH2+]CCS(C)(=O)=O)c1cccc(C#N)c1O ZINC000866249774 645511768 /nfs/dbraw/zinc/51/17/68/645511768.db2.gz NPKARGSPUFDWCD-VIFPVBQESA-N 1 2 268.338 0.959 20 30 CCEDLO C[C@H](NC(=O)C#Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000124031209 646240957 /nfs/dbraw/zinc/24/09/57/646240957.db2.gz VQCUFGOAUJSZPE-ZFWWWQNUSA-N 1 2 272.348 0.873 20 30 CCEDLO C[C@H](NC(=O)C#Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124031209 646240959 /nfs/dbraw/zinc/24/09/59/646240959.db2.gz VQCUFGOAUJSZPE-ZFWWWQNUSA-N 1 2 272.348 0.873 20 30 CCEDLO Cc1nc2cccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2[nH]1 ZINC000876803356 646670869 /nfs/dbraw/zinc/67/08/69/646670869.db2.gz VYZXKJMEDATZNZ-CABZTGNLSA-N 1 2 269.308 0.713 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878673241 646955715 /nfs/dbraw/zinc/95/57/15/646955715.db2.gz XLHINJYSCVWMCB-ZDUSSCGKSA-N 1 2 295.383 0.100 20 30 CCEDLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2C1 ZINC000884250236 647681149 /nfs/dbraw/zinc/68/11/49/647681149.db2.gz ZZRVMKXJIZEUEY-VDDIYKPWSA-N 1 2 273.340 0.376 20 30 CCEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)CCO ZINC000136066865 647867548 /nfs/dbraw/zinc/86/75/48/647867548.db2.gz IFBVHEMZPBOVCW-ZJUUUORDSA-N 1 2 257.334 0.353 20 30 CCEDLO N#Cc1csc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000887981343 648179375 /nfs/dbraw/zinc/17/93/75/648179375.db2.gz ASLYCOFMLJKXHI-UHFFFAOYSA-N 1 2 261.310 0.918 20 30 CCEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)no1 ZINC000931941486 649036828 /nfs/dbraw/zinc/03/68/28/649036828.db2.gz QAZVYQROOPCLCL-LLVKDONJSA-N 1 2 289.339 0.730 20 30 CCEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)no1 ZINC000931941486 649036833 /nfs/dbraw/zinc/03/68/33/649036833.db2.gz QAZVYQROOPCLCL-LLVKDONJSA-N 1 2 289.339 0.730 20 30 CCEDLO N#C[C@@H]1CCCN(C[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932151720 649054194 /nfs/dbraw/zinc/05/41/94/649054194.db2.gz FLXNYNIKUHSRAS-FICVDOATSA-N 1 2 276.384 0.818 20 30 CCEDLO N#C[C@@H]1CCCN(C[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932151720 649054196 /nfs/dbraw/zinc/05/41/96/649054196.db2.gz FLXNYNIKUHSRAS-FICVDOATSA-N 1 2 276.384 0.818 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCC[C@H](C#N)C2)C1 ZINC000932151720 649054198 /nfs/dbraw/zinc/05/41/98/649054198.db2.gz FLXNYNIKUHSRAS-FICVDOATSA-N 1 2 276.384 0.818 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCC[C@H](C#N)C2)C1 ZINC000932151720 649054201 /nfs/dbraw/zinc/05/42/01/649054201.db2.gz FLXNYNIKUHSRAS-FICVDOATSA-N 1 2 276.384 0.818 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000934511682 649177906 /nfs/dbraw/zinc/17/79/06/649177906.db2.gz SERHTONHPNFTOK-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000934511682 649177907 /nfs/dbraw/zinc/17/79/07/649177907.db2.gz SERHTONHPNFTOK-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@@H+]1CCO ZINC000935500694 649238346 /nfs/dbraw/zinc/23/83/46/649238346.db2.gz WYOVUPIUKMQUNX-LBPRGKRZSA-N 1 2 297.424 0.548 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@H+]1CCO ZINC000935500694 649238350 /nfs/dbraw/zinc/23/83/50/649238350.db2.gz WYOVUPIUKMQUNX-LBPRGKRZSA-N 1 2 297.424 0.548 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951867891 649568759 /nfs/dbraw/zinc/56/87/59/649568759.db2.gz MOFJBGHTXBJBKG-WDEREUQCSA-N 1 2 289.339 0.219 20 30 CCEDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)N(C)CCC#N ZINC000092807816 649727286 /nfs/dbraw/zinc/72/72/86/649727286.db2.gz RUMIZZVEMOCEQF-UHFFFAOYSA-N 1 2 289.401 0.115 20 30 CCEDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000092807816 649727288 /nfs/dbraw/zinc/72/72/88/649727288.db2.gz RUMIZZVEMOCEQF-UHFFFAOYSA-N 1 2 289.401 0.115 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)c1 ZINC000958504860 649808856 /nfs/dbraw/zinc/80/88/56/649808856.db2.gz JVAKBRWXOAQIBT-PJXYFTJBSA-N 1 2 298.306 0.130 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)c1 ZINC000958504860 649808858 /nfs/dbraw/zinc/80/88/58/649808858.db2.gz JVAKBRWXOAQIBT-PJXYFTJBSA-N 1 2 298.306 0.130 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCOCC1 ZINC001230561400 805621749 /nfs/dbraw/zinc/62/17/49/805621749.db2.gz CBCHDZPCSCAPKF-HNNXBMFYSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCOCC1 ZINC001230561400 805621757 /nfs/dbraw/zinc/62/17/57/805621757.db2.gz CBCHDZPCSCAPKF-HNNXBMFYSA-N 1 2 294.395 0.596 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](N)C(F)(F)F)CC1 ZINC000705232681 790378012 /nfs/dbraw/zinc/37/80/12/790378012.db2.gz RTODDXGKPMLXPH-MRVPVSSYSA-N 1 2 251.252 0.206 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308460 790482499 /nfs/dbraw/zinc/48/24/99/790482499.db2.gz WNSVEFFNTJOOLB-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001266308460 790482508 /nfs/dbraw/zinc/48/25/08/790482508.db2.gz WNSVEFFNTJOOLB-LBPRGKRZSA-N 1 2 293.392 0.905 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001266319714 790499395 /nfs/dbraw/zinc/49/93/95/790499395.db2.gz QQOIDJBQHFZHIN-SRXBQZRASA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001266319714 790499403 /nfs/dbraw/zinc/49/94/03/790499403.db2.gz QQOIDJBQHFZHIN-SRXBQZRASA-N 1 2 277.368 0.283 20 30 CCEDLO CC[C@H]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266321446 790500888 /nfs/dbraw/zinc/50/08/88/790500888.db2.gz SKAUDOQFERRVSG-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO CC[C@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266321446 790500898 /nfs/dbraw/zinc/50/08/98/790500898.db2.gz SKAUDOQFERRVSG-QWHCGFSZSA-N 1 2 294.399 0.500 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(F)CCCCC1 ZINC001266344409 790552474 /nfs/dbraw/zinc/55/24/74/790552474.db2.gz IMDKSEHCHWZOEJ-UHFFFAOYSA-N 1 2 297.374 0.456 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(F)CCCCC1 ZINC001266344409 790552484 /nfs/dbraw/zinc/55/24/84/790552484.db2.gz IMDKSEHCHWZOEJ-UHFFFAOYSA-N 1 2 297.374 0.456 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001266522180 790862936 /nfs/dbraw/zinc/86/29/36/790862936.db2.gz HVZDXNSPDMVVHH-GXFFZTMASA-N 1 2 296.396 0.556 20 30 CCEDLO CCCN(CC#N)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266570932 790944399 /nfs/dbraw/zinc/94/43/99/790944399.db2.gz AYDIKTBAFAVKPR-CHWSQXEVSA-N 1 2 289.383 0.875 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681229 805647749 /nfs/dbraw/zinc/64/77/49/805647749.db2.gz BKEIKPSTJIKKKF-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681229 805647756 /nfs/dbraw/zinc/64/77/56/805647756.db2.gz BKEIKPSTJIKKKF-ZDUSSCGKSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cccn1 ZINC001230772062 805663897 /nfs/dbraw/zinc/66/38/97/805663897.db2.gz BDTIYJVKHJOCAT-CQSZACIVSA-N 1 2 290.367 0.066 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cccn1 ZINC001230772062 805663901 /nfs/dbraw/zinc/66/39/01/805663901.db2.gz BDTIYJVKHJOCAT-CQSZACIVSA-N 1 2 290.367 0.066 20 30 CCEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)COC ZINC001230939136 805694070 /nfs/dbraw/zinc/69/40/70/805694070.db2.gz ADEHURJYGIOUBS-UHFFFAOYSA-N 1 2 279.178 0.980 20 30 CCEDLO C=C(Br)C[N@H+](C)CCCNC(=O)COC ZINC001230939136 805694074 /nfs/dbraw/zinc/69/40/74/805694074.db2.gz ADEHURJYGIOUBS-UHFFFAOYSA-N 1 2 279.178 0.980 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231123424 805734974 /nfs/dbraw/zinc/73/49/74/805734974.db2.gz TYRXYQLFBWXLAB-KGLIPLIRSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231123424 805734976 /nfs/dbraw/zinc/73/49/76/805734976.db2.gz TYRXYQLFBWXLAB-KGLIPLIRSA-N 1 2 291.395 0.623 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001231132595 805737753 /nfs/dbraw/zinc/73/77/53/805737753.db2.gz UXEFQTVQHHFZNQ-GFCCVEGCSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001231132595 805737760 /nfs/dbraw/zinc/73/77/60/805737760.db2.gz UXEFQTVQHHFZNQ-GFCCVEGCSA-N 1 2 293.392 0.939 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001231168840 805743686 /nfs/dbraw/zinc/74/36/86/805743686.db2.gz BQJBGZDMCXNNBZ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001231168840 805743693 /nfs/dbraw/zinc/74/36/93/805743693.db2.gz BQJBGZDMCXNNBZ-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CCCO1 ZINC001232481667 805945511 /nfs/dbraw/zinc/94/55/11/805945511.db2.gz HRELXJALQDHBCX-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CCCO1 ZINC001232481667 805945516 /nfs/dbraw/zinc/94/55/16/805945516.db2.gz HRELXJALQDHBCX-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCN1C ZINC001232677706 805970515 /nfs/dbraw/zinc/97/05/15/805970515.db2.gz ICUKNOFITABQIG-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCN1C ZINC001232677706 805970519 /nfs/dbraw/zinc/97/05/19/805970519.db2.gz ICUKNOFITABQIG-ZDUSSCGKSA-N 1 2 289.335 0.553 20 30 CCEDLO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001266836955 791278647 /nfs/dbraw/zinc/27/86/47/791278647.db2.gz GGIXCAWEYWJJFW-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001266836955 791278652 /nfs/dbraw/zinc/27/86/52/791278652.db2.gz GGIXCAWEYWJJFW-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO CC(C)(C#N)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001143403180 791292458 /nfs/dbraw/zinc/29/24/58/791292458.db2.gz BMINSYXDWCOYPX-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCN1CC#N ZINC001266855659 791293985 /nfs/dbraw/zinc/29/39/85/791293985.db2.gz DTKCFQNYZWJQHV-GFCCVEGCSA-N 1 2 275.356 0.755 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C/C=C(/C)C=C ZINC001267212111 791680857 /nfs/dbraw/zinc/68/08/57/791680857.db2.gz KXTATWHIHQHYMQ-QPEQYQDCSA-N 1 2 277.368 0.306 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C/C=C(/C)C=C ZINC001267212111 791680861 /nfs/dbraw/zinc/68/08/61/791680861.db2.gz KXTATWHIHQHYMQ-QPEQYQDCSA-N 1 2 277.368 0.306 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1 ZINC001277810663 806128713 /nfs/dbraw/zinc/12/87/13/806128713.db2.gz OOKFICSIJSWDDY-GWCFXTLKSA-N 1 2 298.412 0.802 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001234162224 806194060 /nfs/dbraw/zinc/19/40/60/806194060.db2.gz QJRHUUVSJQUZNK-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001234162224 806194065 /nfs/dbraw/zinc/19/40/65/806194065.db2.gz QJRHUUVSJQUZNK-KGLIPLIRSA-N 1 2 291.395 0.457 20 30 CCEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1)C(=O)C#CC1CC1 ZINC001234177954 806196638 /nfs/dbraw/zinc/19/66/38/806196638.db2.gz GOMJDIZRNOOIKN-HNNXBMFYSA-N 1 2 286.379 0.866 20 30 CCEDLO CN(C[C@@H]1CC[N@H+]1Cc1cnn(C)c1)C(=O)C#CC1CC1 ZINC001234177954 806196644 /nfs/dbraw/zinc/19/66/44/806196644.db2.gz GOMJDIZRNOOIKN-HNNXBMFYSA-N 1 2 286.379 0.866 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425604 806242828 /nfs/dbraw/zinc/24/28/28/806242828.db2.gz OMGYNGIATSNQDV-CQSZACIVSA-N 1 2 275.352 0.811 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425604 806242833 /nfs/dbraw/zinc/24/28/33/806242833.db2.gz OMGYNGIATSNQDV-CQSZACIVSA-N 1 2 275.352 0.811 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234454279 806246211 /nfs/dbraw/zinc/24/62/11/806246211.db2.gz HHVXQODIEIMSFK-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234454279 806246215 /nfs/dbraw/zinc/24/62/15/806246215.db2.gz HHVXQODIEIMSFK-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234537087 806267920 /nfs/dbraw/zinc/26/79/20/806267920.db2.gz KHUITQRFUJBJPE-NEPJUHHUSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234537087 806267922 /nfs/dbraw/zinc/26/79/22/806267922.db2.gz KHUITQRFUJBJPE-NEPJUHHUSA-N 1 2 281.400 0.995 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(N)=O)CCC1 ZINC001235210754 806386859 /nfs/dbraw/zinc/38/68/59/806386859.db2.gz WHKWWZHJNMRONH-QWHCGFSZSA-N 1 2 291.395 0.587 20 30 CCEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CCC1 ZINC001235210754 806386869 /nfs/dbraw/zinc/38/68/69/806386869.db2.gz WHKWWZHJNMRONH-QWHCGFSZSA-N 1 2 291.395 0.587 20 30 CCEDLO N#CCCN1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277938564 806410651 /nfs/dbraw/zinc/41/06/51/806410651.db2.gz APRIELQOWFOJNJ-KGLIPLIRSA-N 1 2 275.356 0.182 20 30 CCEDLO CN(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC#N ZINC001277940829 806413641 /nfs/dbraw/zinc/41/36/41/806413641.db2.gz GTYMBYLJIGBQNS-YOGCLGLASA-N 1 2 286.401 0.291 20 30 CCEDLO CN(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC#N ZINC001277940829 806413647 /nfs/dbraw/zinc/41/36/47/806413647.db2.gz GTYMBYLJIGBQNS-YOGCLGLASA-N 1 2 286.401 0.291 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)s1 ZINC001278054075 806641141 /nfs/dbraw/zinc/64/11/41/806641141.db2.gz NHIMOHVDSLMIEF-MWLCHTKSSA-N 1 2 298.412 0.940 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237616786 806702308 /nfs/dbraw/zinc/70/23/08/806702308.db2.gz GZXNEEZCDHAOBF-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237616786 806702311 /nfs/dbraw/zinc/70/23/11/806702311.db2.gz GZXNEEZCDHAOBF-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO Cc1nc(N[C@@H](CO)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001121439110 799046919 /nfs/dbraw/zinc/04/69/19/799046919.db2.gz FOKPNGUMOSIWIL-GFCCVEGCSA-N 1 2 274.324 0.087 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001121502268 799053433 /nfs/dbraw/zinc/05/34/33/799053433.db2.gz SDCUDICUPUDZPL-AGIUHOORSA-N 1 2 289.383 0.545 20 30 CCEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001121502268 799053440 /nfs/dbraw/zinc/05/34/40/799053440.db2.gz SDCUDICUPUDZPL-AGIUHOORSA-N 1 2 289.383 0.545 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCOC)n2CC)CC1 ZINC001121878503 799082350 /nfs/dbraw/zinc/08/23/50/799082350.db2.gz GBTKOUSVIOAXSR-UHFFFAOYSA-N 1 2 277.372 0.242 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123798892 799475965 /nfs/dbraw/zinc/47/59/65/799475965.db2.gz DIXDANAHEHVSMW-UHFFFAOYSA-N 1 2 283.357 0.095 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001124312192 799593055 /nfs/dbraw/zinc/59/30/55/799593055.db2.gz MMYAHPMNMVZSAC-VXGBXAGGSA-N 1 2 256.309 0.890 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857886 799748712 /nfs/dbraw/zinc/74/87/12/799748712.db2.gz XYEULUFZBMJYBM-NEPJUHHUSA-N 1 2 287.367 0.883 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149797489 800299829 /nfs/dbraw/zinc/29/98/29/800299829.db2.gz XUVVSTCBLWXYKO-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149797489 800299833 /nfs/dbraw/zinc/29/98/33/800299833.db2.gz XUVVSTCBLWXYKO-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206641466 800423824 /nfs/dbraw/zinc/42/38/24/800423824.db2.gz UEVNDGGFVZYJSA-NQBHXWOUSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206641466 800423833 /nfs/dbraw/zinc/42/38/33/800423833.db2.gz UEVNDGGFVZYJSA-NQBHXWOUSA-N 1 2 292.383 0.109 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncnn3c2)CC1 ZINC001152853630 800561253 /nfs/dbraw/zinc/56/12/53/800561253.db2.gz NOYUFDBNFSWARB-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc3ccnn32)CC1 ZINC001153984359 800697918 /nfs/dbraw/zinc/69/79/18/800697918.db2.gz XQYHCPPRYJOEKH-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001154039574 800708730 /nfs/dbraw/zinc/70/87/30/800708730.db2.gz ZXJMTCVITRMRBA-NEPJUHHUSA-N 1 2 288.413 0.269 20 30 CCEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001154039574 800708733 /nfs/dbraw/zinc/70/87/33/800708733.db2.gz ZXJMTCVITRMRBA-NEPJUHHUSA-N 1 2 288.413 0.269 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nc(C#N)c(C#N)nc2Cl)C1 ZINC001155196161 800927024 /nfs/dbraw/zinc/92/70/24/800927024.db2.gz KYXMKWVBBUYTEG-QMMMGPOBSA-N 1 2 292.730 0.616 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nc(C#N)c(C#N)nc2Cl)C1 ZINC001155196161 800927030 /nfs/dbraw/zinc/92/70/30/800927030.db2.gz KYXMKWVBBUYTEG-QMMMGPOBSA-N 1 2 292.730 0.616 20 30 CCEDLO Cc1nc(Cl)nc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001155196949 800928597 /nfs/dbraw/zinc/92/85/97/800928597.db2.gz QTKIENZCANFNEK-VIFPVBQESA-N 1 2 281.747 0.475 20 30 CCEDLO Cc1nc(Cl)nc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155196949 800928601 /nfs/dbraw/zinc/92/86/01/800928601.db2.gz QTKIENZCANFNEK-VIFPVBQESA-N 1 2 281.747 0.475 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)cc2F)C[NH2+]1 ZINC001156248902 801139312 /nfs/dbraw/zinc/13/93/12/801139312.db2.gz ODCSDTKVRWJHMZ-WPRPVWTQSA-N 1 2 264.260 0.408 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(N2CCCCC2)nn1 ZINC001156321292 801150060 /nfs/dbraw/zinc/15/00/60/801150060.db2.gz YBSLKJIYRPCNCU-LBPRGKRZSA-N 1 2 272.356 0.769 20 30 CCEDLO CCOC(=O)/C=C/c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156327758 801150823 /nfs/dbraw/zinc/15/08/23/801150823.db2.gz KPEUTPTYTLQPBA-BPJJOFIESA-N 1 2 286.335 0.960 20 30 CCEDLO CCN(c1ncc(C#N)cc1C(=O)OC)C1C[NH+](C)C1 ZINC001157461380 801390682 /nfs/dbraw/zinc/39/06/82/801390682.db2.gz IZHLXFZTRWSVEW-UHFFFAOYSA-N 1 2 274.324 0.880 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1 ZINC001246186766 807180062 /nfs/dbraw/zinc/18/00/62/807180062.db2.gz HMEOEMVYYDEBKB-STQMWFEESA-N 1 2 259.309 0.551 20 30 CCEDLO COc1c[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc1NC(C)C ZINC001160173375 801913824 /nfs/dbraw/zinc/91/38/24/801913824.db2.gz GBRMINYXFMMNSW-WPRPVWTQSA-N 1 2 295.343 0.954 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cncc(F)c2C#N)C[NH2+]1 ZINC001164308523 802717514 /nfs/dbraw/zinc/71/75/14/802717514.db2.gz OAPMTCDZTZKLFF-XVKPBYJWSA-N 1 2 264.260 0.408 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ncnc2cc3c(cc21)OCCO3 ZINC001164641931 802774340 /nfs/dbraw/zinc/77/43/40/802774340.db2.gz QADDBQIOFHZBLL-SNVBAGLBSA-N 1 2 297.318 0.703 20 30 CCEDLO CCOC(=O)c1cnc(N2CC[NH2+]C[C@H]2C#N)c(C)c1 ZINC001164641259 802774730 /nfs/dbraw/zinc/77/47/30/802774730.db2.gz IZVICPRIDOUGKY-GFCCVEGCSA-N 1 2 274.324 0.869 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1[C@H](F)Oc1cncc(Cl)n1 ZINC001164661753 802776691 /nfs/dbraw/zinc/77/66/91/802776691.db2.gz NPSHKOMLCFAUGI-XCBNKYQSSA-N 1 2 271.683 0.559 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001267748738 811739769 /nfs/dbraw/zinc/73/97/69/811739769.db2.gz ATBDVKKSPCFAOO-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001267748738 811739776 /nfs/dbraw/zinc/73/97/76/811739776.db2.gz ATBDVKKSPCFAOO-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO CN(C[C@H](O)CO)c1[nH+]ccc2ccc(C#N)cc21 ZINC001165532980 802851306 /nfs/dbraw/zinc/85/13/06/802851306.db2.gz MYJCWYZGSLHQSM-LBPRGKRZSA-N 1 2 257.293 0.896 20 30 CCEDLO Cc1c(C[NH+]2CCN(c3nccnc3C#N)CC2)cnn1C ZINC001204571819 803089602 /nfs/dbraw/zinc/08/96/02/803089602.db2.gz IMPSRVCUMMGTNB-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO CC(C)(CN1CCC(=O)[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001207304396 803380264 /nfs/dbraw/zinc/38/02/64/803380264.db2.gz SGOGBWYOJXJHER-LBPRGKRZSA-N 1 2 265.357 0.512 20 30 CCEDLO C#Cc1cc(Nc2cnc(NCCO)nc2)cc[nH+]1 ZINC001210896466 803663080 /nfs/dbraw/zinc/66/30/80/803663080.db2.gz LXLGVFRTUJOYAS-UHFFFAOYSA-N 1 2 255.281 0.423 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041727 814984094 /nfs/dbraw/zinc/98/40/94/814984094.db2.gz YZOFAZDRMNXRBN-UFGOTCBOSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041727 814984099 /nfs/dbraw/zinc/98/40/99/814984099.db2.gz YZOFAZDRMNXRBN-UFGOTCBOSA-N 1 2 292.339 0.458 20 30 CCEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219112850 804206929 /nfs/dbraw/zinc/20/69/29/804206929.db2.gz XMLGPYAFLDCYPJ-VIFPVBQESA-N 1 2 289.274 0.027 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219365987 804288970 /nfs/dbraw/zinc/28/89/70/804288970.db2.gz NLFXBBAEPBUXHA-CJOPTALJSA-N 1 2 274.748 0.103 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219365987 804288976 /nfs/dbraw/zinc/28/89/76/804288976.db2.gz NLFXBBAEPBUXHA-CJOPTALJSA-N 1 2 274.748 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)[C@@H](O)C1 ZINC001219759920 804418150 /nfs/dbraw/zinc/41/81/50/804418150.db2.gz VRLZJFYICUJEMK-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)[C@@H](O)C1 ZINC001219759920 804418154 /nfs/dbraw/zinc/41/81/54/804418154.db2.gz VRLZJFYICUJEMK-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220141071 804511573 /nfs/dbraw/zinc/51/15/73/804511573.db2.gz HXLLLWZJSRXXRQ-OLZOCXBDSA-N 1 2 280.368 0.010 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220141071 804511579 /nfs/dbraw/zinc/51/15/79/804511579.db2.gz HXLLLWZJSRXXRQ-OLZOCXBDSA-N 1 2 280.368 0.010 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220141560 804511929 /nfs/dbraw/zinc/51/19/29/804511929.db2.gz XZXLAHURSPEUSZ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220141560 804511934 /nfs/dbraw/zinc/51/19/34/804511934.db2.gz XZXLAHURSPEUSZ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220146624 804514354 /nfs/dbraw/zinc/51/43/54/804514354.db2.gz KSJYXGLTXZXWFF-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220146624 804514360 /nfs/dbraw/zinc/51/43/60/804514360.db2.gz KSJYXGLTXZXWFF-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220205939 804537256 /nfs/dbraw/zinc/53/72/56/804537256.db2.gz RHXVQSGDGJRWEK-TUAOUCFPSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220205939 804537265 /nfs/dbraw/zinc/53/72/65/804537265.db2.gz RHXVQSGDGJRWEK-TUAOUCFPSA-N 1 2 258.337 0.720 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001220273122 804556291 /nfs/dbraw/zinc/55/62/91/804556291.db2.gz CMSYPKZHIPGZDS-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001220273122 804556299 /nfs/dbraw/zinc/55/62/99/804556299.db2.gz CMSYPKZHIPGZDS-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)OC)[C@@H](O)C1 ZINC001220308941 804570257 /nfs/dbraw/zinc/57/02/57/804570257.db2.gz MQEKYEQVMNUBJB-HZSPNIEDSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)OC)[C@@H](O)C1 ZINC001220308941 804570262 /nfs/dbraw/zinc/57/02/62/804570262.db2.gz MQEKYEQVMNUBJB-HZSPNIEDSA-N 1 2 282.384 0.232 20 30 CCEDLO C=C(C)C[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001272169307 815034602 /nfs/dbraw/zinc/03/46/02/815034602.db2.gz RYIYNMFQVFGBPK-SECBINFHSA-N 1 2 286.269 0.873 20 30 CCEDLO C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H](F)C(F)(F)F ZINC001272169307 815034606 /nfs/dbraw/zinc/03/46/06/815034606.db2.gz RYIYNMFQVFGBPK-SECBINFHSA-N 1 2 286.269 0.873 20 30 CCEDLO N#CCN1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958487 805095929 /nfs/dbraw/zinc/09/59/29/805095929.db2.gz VDHHLMJUZOHSMR-UHFFFAOYSA-N 1 2 261.329 0.304 20 30 CCEDLO COc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1C#N ZINC001225567025 805141564 /nfs/dbraw/zinc/14/15/64/805141564.db2.gz NGJCQBSEPYGGTM-LSVRBPJHSA-N 1 2 287.319 0.953 20 30 CCEDLO COc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1C#N ZINC001225567025 805141570 /nfs/dbraw/zinc/14/15/70/805141570.db2.gz NGJCQBSEPYGGTM-LSVRBPJHSA-N 1 2 287.319 0.953 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)[nH]c(=O)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229124832 805505823 /nfs/dbraw/zinc/50/58/23/805505823.db2.gz ONEYSPWWDCOYPK-GIBIQBGMSA-N 1 2 283.259 0.018 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]c(=O)[nH]c(=O)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229124832 805505827 /nfs/dbraw/zinc/50/58/27/805505827.db2.gz ONEYSPWWDCOYPK-GIBIQBGMSA-N 1 2 283.259 0.018 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)CCCS(C)(=O)=O)CC1 ZINC001229565979 805542156 /nfs/dbraw/zinc/54/21/56/805542156.db2.gz GHBBXEGUHKCYKO-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](NC(=NO)c2ccc(C)cn2)C[NH2+]1 ZINC001246256736 807199513 /nfs/dbraw/zinc/19/95/13/807199513.db2.gz PBPCDXMYSOLEMF-KOLCDFICSA-N 1 2 278.312 0.019 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](NCc2ncc(C#N)s2)C[NH2+]1 ZINC001246346261 807228763 /nfs/dbraw/zinc/22/87/63/807228763.db2.gz DCLJDCHRXXZUBB-APPZFPTMSA-N 1 2 266.326 0.008 20 30 CCEDLO CC(C)C#CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001126816175 815132772 /nfs/dbraw/zinc/13/27/72/815132772.db2.gz UPZOYWHQGYULCB-JTQLQIEISA-N 1 2 266.370 0.964 20 30 CCEDLO COc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251026933 807646602 /nfs/dbraw/zinc/64/66/02/807646602.db2.gz LIANEASYCCBZRW-ZDUSSCGKSA-N 1 2 291.351 0.672 20 30 CCEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc(F)c1F ZINC001251028660 807648119 /nfs/dbraw/zinc/64/81/19/807648119.db2.gz LVQKQIZVJZWSRZ-LBPRGKRZSA-N 1 2 297.305 0.941 20 30 CCEDLO N#Cc1cc(O)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251028506 807648164 /nfs/dbraw/zinc/64/81/64/807648164.db2.gz HIPARBHNSMBGSY-ZDUSSCGKSA-N 1 2 277.324 0.369 20 30 CCEDLO COc1cc(C#N)cc(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251031351 807649004 /nfs/dbraw/zinc/64/90/04/807649004.db2.gz KSJKHJMHHUTTIA-CQSZACIVSA-N 1 2 291.351 0.672 20 30 CCEDLO N#CC1(NC[C@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC001251035880 807651022 /nfs/dbraw/zinc/65/10/22/807651022.db2.gz QIXDHKROKCVBEU-AWEZNQCLSA-N 1 2 281.400 0.886 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCc2cnc(SC)nc2C1 ZINC001251854482 807721320 /nfs/dbraw/zinc/72/13/20/807721320.db2.gz DZCIFRMEFHMYSU-LBPRGKRZSA-N 1 2 293.392 0.567 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001251854482 807721324 /nfs/dbraw/zinc/72/13/24/807721324.db2.gz DZCIFRMEFHMYSU-LBPRGKRZSA-N 1 2 293.392 0.567 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001251855588 807722963 /nfs/dbraw/zinc/72/29/63/807722963.db2.gz ZFZYQNNAWGIFNF-GJZGRUSLSA-N 1 2 276.336 0.466 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001251855588 807722964 /nfs/dbraw/zinc/72/29/64/807722964.db2.gz ZFZYQNNAWGIFNF-GJZGRUSLSA-N 1 2 276.336 0.466 20 30 CCEDLO N#CCNC1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001278718548 808059747 /nfs/dbraw/zinc/05/97/47/808059747.db2.gz NXOSQNMCMHQCEZ-UHFFFAOYSA-N 1 2 291.355 0.052 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253578050 808085048 /nfs/dbraw/zinc/08/50/48/808085048.db2.gz UQCHSJUSODNAOV-WDEREUQCSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253578050 808085058 /nfs/dbraw/zinc/08/50/58/808085058.db2.gz UQCHSJUSODNAOV-WDEREUQCSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@@H](O)C[N@@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253580060 808088476 /nfs/dbraw/zinc/08/84/76/808088476.db2.gz VXTYWOSHDSIUOK-LLVKDONJSA-N 1 2 273.329 0.352 20 30 CCEDLO C=C[C@@H](O)C[N@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253580060 808088482 /nfs/dbraw/zinc/08/84/82/808088482.db2.gz VXTYWOSHDSIUOK-LLVKDONJSA-N 1 2 273.329 0.352 20 30 CCEDLO Cc1nnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126893966 815198024 /nfs/dbraw/zinc/19/80/24/815198024.db2.gz ZSJAEPLFYHTBEL-UHFFFAOYSA-N 1 2 264.329 0.633 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001278872457 808404568 /nfs/dbraw/zinc/40/45/68/808404568.db2.gz IWPFGOONHMUEEV-GFCCVEGCSA-N 1 2 284.400 0.787 20 30 CCEDLO Cn1cc(NC(=O)[C@H]2CC3CC[NH+]2CC3)c(C#N)n1 ZINC001142626487 815206604 /nfs/dbraw/zinc/20/66/04/815206604.db2.gz OENDRGCMJMAESN-GFCCVEGCSA-N 1 2 259.313 0.715 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(c2ncccn2)CC1 ZINC001256055115 808462245 /nfs/dbraw/zinc/46/22/45/808462245.db2.gz FJIURGWLSWRWIO-CYBMUJFWSA-N 1 2 272.356 0.243 20 30 CCEDLO C=CCCC(=O)N[C@H](C[NH2+]Cc1nnn(C)n1)C(C)(C)C ZINC001278946241 808533090 /nfs/dbraw/zinc/53/30/90/808533090.db2.gz WOVQCUCTPXJELB-LLVKDONJSA-N 1 2 294.403 0.797 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)Cc3ccc(C#N)cc3)C2)C1 ZINC001260043221 808838317 /nfs/dbraw/zinc/83/83/17/808838317.db2.gz GTRLODXWBUIPHS-UHFFFAOYSA-N 1 2 291.376 0.635 20 30 CCEDLO COCC#CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001261714316 809061926 /nfs/dbraw/zinc/06/19/26/809061926.db2.gz IGHTXMNYBLAIDX-UHFFFAOYSA-N 1 2 271.320 0.951 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001262346403 809285135 /nfs/dbraw/zinc/28/51/35/809285135.db2.gz SQKINYMHKMFZEC-GIPNMCIBSA-N 1 2 260.297 0.654 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001262346403 809285140 /nfs/dbraw/zinc/28/51/40/809285140.db2.gz SQKINYMHKMFZEC-GIPNMCIBSA-N 1 2 260.297 0.654 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C[C@@H](C)SC)n2C)CC1 ZINC001262889198 809420241 /nfs/dbraw/zinc/42/02/41/809420241.db2.gz KZFMPZYPZRZSRG-GFCCVEGCSA-N 1 2 293.440 0.864 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)CO)n2CC)CC1 ZINC001263038629 809427530 /nfs/dbraw/zinc/42/75/30/809427530.db2.gz JKCXIQGACPSFCU-CYBMUJFWSA-N 1 2 291.399 0.539 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CC1 ZINC001263802033 809572241 /nfs/dbraw/zinc/57/22/41/809572241.db2.gz IJAQGNOAYXYBEK-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CC1 ZINC001263802033 809572247 /nfs/dbraw/zinc/57/22/47/809572247.db2.gz IJAQGNOAYXYBEK-AWEZNQCLSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001263805091 809573577 /nfs/dbraw/zinc/57/35/77/809573577.db2.gz LDGGWQPNAWWMFX-KBPBESRZSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001263805091 809573582 /nfs/dbraw/zinc/57/35/82/809573582.db2.gz LDGGWQPNAWWMFX-KBPBESRZSA-N 1 2 290.367 0.274 20 30 CCEDLO C=C(C)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263830453 809582471 /nfs/dbraw/zinc/58/24/71/809582471.db2.gz NOIMGMCZSCFQMI-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCN1CCOCC1 ZINC001264374291 809645832 /nfs/dbraw/zinc/64/58/32/809645832.db2.gz DFXQRRCRLHCPNN-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCN1CCOCC1 ZINC001264374291 809645836 /nfs/dbraw/zinc/64/58/36/809645836.db2.gz DFXQRRCRLHCPNN-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001265212743 809725603 /nfs/dbraw/zinc/72/56/03/809725603.db2.gz FHCIFPOPYLDWOR-CHWSQXEVSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001265212743 809725608 /nfs/dbraw/zinc/72/56/08/809725608.db2.gz FHCIFPOPYLDWOR-CHWSQXEVSA-N 1 2 277.368 0.115 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001265262913 809734339 /nfs/dbraw/zinc/73/43/39/809734339.db2.gz MQVGAGRXQZUWIK-STQMWFEESA-N 1 2 282.363 0.382 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001265265313 809734885 /nfs/dbraw/zinc/73/48/85/809734885.db2.gz VSWDKRVTIZYEBS-AWEZNQCLSA-N 1 2 290.411 0.824 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000702034649 809868610 /nfs/dbraw/zinc/86/86/10/809868610.db2.gz OLXPXFBOXYJDII-NSHDSACASA-N 1 2 287.385 0.025 20 30 CCEDLO C#Cc1cncc(C(=O)NCCC[N@@H+](C)Cc2cnon2)c1 ZINC001265920927 809894414 /nfs/dbraw/zinc/89/44/14/809894414.db2.gz CZKGIDNYNPJVPO-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO C#Cc1cncc(C(=O)NCCC[N@H+](C)Cc2cnon2)c1 ZINC001265920927 809894419 /nfs/dbraw/zinc/89/44/19/809894419.db2.gz CZKGIDNYNPJVPO-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001266212631 809962944 /nfs/dbraw/zinc/96/29/44/809962944.db2.gz OMDJTXXVYQXPGS-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001266212631 809962949 /nfs/dbraw/zinc/96/29/49/809962949.db2.gz OMDJTXXVYQXPGS-ZDUSSCGKSA-N 1 2 290.367 0.317 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280211952 810009518 /nfs/dbraw/zinc/00/95/18/810009518.db2.gz ATYVOTWGGRUZFI-NWDGAFQWSA-N 1 2 278.356 0.859 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855981 815398409 /nfs/dbraw/zinc/39/84/09/815398409.db2.gz VHXAOWGYOCYGJT-RAIGVLPGSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855981 815398414 /nfs/dbraw/zinc/39/84/14/815398414.db2.gz VHXAOWGYOCYGJT-RAIGVLPGSA-N 1 2 294.330 0.409 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001077035735 815435860 /nfs/dbraw/zinc/43/58/60/815435860.db2.gz LPNWLZYULIUXOB-ZIAGYGMSSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001077035735 815435862 /nfs/dbraw/zinc/43/58/62/815435862.db2.gz LPNWLZYULIUXOB-ZIAGYGMSSA-N 1 2 290.338 0.932 20 30 CCEDLO N#Cc1cccnc1N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562167 811322178 /nfs/dbraw/zinc/32/21/78/811322178.db2.gz DRIZKQYSLBCFPB-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038299173 811340867 /nfs/dbraw/zinc/34/08/67/811340867.db2.gz HIHLZOQENBESIV-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038299173 811340876 /nfs/dbraw/zinc/34/08/76/811340876.db2.gz HIHLZOQENBESIV-LBPRGKRZSA-N 1 2 286.379 0.736 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001077078896 815444108 /nfs/dbraw/zinc/44/41/08/815444108.db2.gz FTGBMGGKXHMYOT-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001077078896 815444111 /nfs/dbraw/zinc/44/41/11/815444111.db2.gz FTGBMGGKXHMYOT-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(F)c[nH]2)CC1 ZINC001267573573 811465042 /nfs/dbraw/zinc/46/50/42/811465042.db2.gz UTUCHJFKILJZCQ-UHFFFAOYSA-N 1 2 292.358 0.477 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001077135901 815450985 /nfs/dbraw/zinc/45/09/85/815450985.db2.gz HSMDMZXOLSHSQF-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001077135901 815450988 /nfs/dbraw/zinc/45/09/88/815450988.db2.gz HSMDMZXOLSHSQF-ZIAGYGMSSA-N 1 2 294.301 0.763 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104603954 811529258 /nfs/dbraw/zinc/52/92/58/811529258.db2.gz LAQYCISAQIDZPE-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001077170972 815455832 /nfs/dbraw/zinc/45/58/32/815455832.db2.gz XPKMVCZNLAOBSU-NXEZZACHSA-N 1 2 298.289 0.934 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001077170972 815455835 /nfs/dbraw/zinc/45/58/35/815455835.db2.gz XPKMVCZNLAOBSU-NXEZZACHSA-N 1 2 298.289 0.934 20 30 CCEDLO C#CCCCC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001267643782 811608380 /nfs/dbraw/zinc/60/83/80/811608380.db2.gz WRPQZCYJNLAEDY-ZDUSSCGKSA-N 1 2 287.367 0.369 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC(C)(C)COC)C1 ZINC001267654333 811621880 /nfs/dbraw/zinc/62/18/80/811621880.db2.gz UMKQKKDLIPAJCM-UHFFFAOYSA-N 1 2 252.358 0.873 20 30 CCEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H](O)COC)C2)C1 ZINC001267658736 811625209 /nfs/dbraw/zinc/62/52/09/811625209.db2.gz KEZGKEGUCPZNBB-LBPRGKRZSA-N 1 2 268.357 0.150 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC[C@@H](C)CC)C1 ZINC001267694657 811661061 /nfs/dbraw/zinc/66/10/61/811661061.db2.gz GRSPNZVHOZHHLR-ZDUSSCGKSA-N 1 2 293.411 0.610 20 30 CCEDLO CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001104891325 811759686 /nfs/dbraw/zinc/75/96/86/811759686.db2.gz APBKVIPITIQVFA-CHWSQXEVSA-N 1 2 289.383 0.445 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC)CC3)C2)nn1 ZINC001105320733 811911644 /nfs/dbraw/zinc/91/16/44/811911644.db2.gz IACSEDINNCIZOK-UHFFFAOYSA-N 1 2 287.367 0.574 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001268028592 812015841 /nfs/dbraw/zinc/01/58/41/812015841.db2.gz JKLGERBCMDDPCK-TZMCWYRMSA-N 1 2 292.383 0.527 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001268028592 812015847 /nfs/dbraw/zinc/01/58/47/812015847.db2.gz JKLGERBCMDDPCK-TZMCWYRMSA-N 1 2 292.383 0.527 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038774153 812064463 /nfs/dbraw/zinc/06/44/63/812064463.db2.gz WIVCVGDEZPXVBA-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038774153 812064474 /nfs/dbraw/zinc/06/44/74/812064474.db2.gz WIVCVGDEZPXVBA-GFCCVEGCSA-N 1 2 273.336 0.836 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918588 812139983 /nfs/dbraw/zinc/13/99/83/812139983.db2.gz QITLXRPMDMKFQE-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918588 812139989 /nfs/dbraw/zinc/13/99/89/812139989.db2.gz QITLXRPMDMKFQE-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027980983 812192340 /nfs/dbraw/zinc/19/23/40/812192340.db2.gz HTFAPSXRKZACJB-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109521 812284615 /nfs/dbraw/zinc/28/46/15/812284615.db2.gz JRFQCXKQSQGAMZ-NXEZZACHSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109521 812284622 /nfs/dbraw/zinc/28/46/22/812284622.db2.gz JRFQCXKQSQGAMZ-NXEZZACHSA-N 1 2 286.763 0.001 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028115877 812289598 /nfs/dbraw/zinc/28/95/98/812289598.db2.gz WYUKXGLBAMBDRJ-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001028115877 812289606 /nfs/dbraw/zinc/28/96/06/812289606.db2.gz WYUKXGLBAMBDRJ-JTQLQIEISA-N 1 2 264.329 0.506 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccco1 ZINC001268229034 812384858 /nfs/dbraw/zinc/38/48/58/812384858.db2.gz IBILTCKBQNRXND-UHFFFAOYSA-N 1 2 277.324 0.033 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccco1 ZINC001268229034 812384868 /nfs/dbraw/zinc/38/48/68/812384868.db2.gz IBILTCKBQNRXND-UHFFFAOYSA-N 1 2 277.324 0.033 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001268244904 812410807 /nfs/dbraw/zinc/41/08/07/812410807.db2.gz IRFUVCPHSAWCRP-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001268244904 812410812 /nfs/dbraw/zinc/41/08/12/812410812.db2.gz IRFUVCPHSAWCRP-UHFFFAOYSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001126343547 812528903 /nfs/dbraw/zinc/52/89/03/812528903.db2.gz AOTHNOIBWPFCEF-UHFFFAOYSA-N 1 2 264.329 0.641 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001268445668 812570305 /nfs/dbraw/zinc/57/03/05/812570305.db2.gz AISZVBFGAWEALR-GXTWGEPZSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCCCC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001268444926 812574494 /nfs/dbraw/zinc/57/44/94/812574494.db2.gz FAOVLYXLDHAVHZ-CYBMUJFWSA-N 1 2 289.383 0.922 20 30 CCEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)C[C@@H]1CO ZINC000687627758 812681038 /nfs/dbraw/zinc/68/10/38/812681038.db2.gz OFXGSTRAWORQDT-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1CO ZINC000687627758 812681042 /nfs/dbraw/zinc/68/10/42/812681042.db2.gz OFXGSTRAWORQDT-CQSZACIVSA-N 1 2 275.352 0.545 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001126366374 812687639 /nfs/dbraw/zinc/68/76/39/812687639.db2.gz UPILCIKWWFOPEN-CQSZACIVSA-N 1 2 296.371 0.726 20 30 CCEDLO N#Cc1ccc(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)nc1 ZINC001211789327 812733314 /nfs/dbraw/zinc/73/33/14/812733314.db2.gz OIRWLTAHFYRIHC-JTQLQIEISA-N 1 2 271.280 0.570 20 30 CCEDLO N#Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)nc1 ZINC001211789327 812733322 /nfs/dbraw/zinc/73/33/22/812733322.db2.gz OIRWLTAHFYRIHC-JTQLQIEISA-N 1 2 271.280 0.570 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392717 812936267 /nfs/dbraw/zinc/93/62/67/812936267.db2.gz VHXAOWGYOCYGJT-RTXFEEFZSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392717 812936271 /nfs/dbraw/zinc/93/62/71/812936271.db2.gz VHXAOWGYOCYGJT-RTXFEEFZSA-N 1 2 294.330 0.409 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](O)C1 ZINC001083625166 815564004 /nfs/dbraw/zinc/56/40/04/815564004.db2.gz PFFPDBMDMCASDD-OLZOCXBDSA-N 1 2 292.335 0.224 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](O)C1 ZINC001083625166 815564007 /nfs/dbraw/zinc/56/40/07/815564007.db2.gz PFFPDBMDMCASDD-OLZOCXBDSA-N 1 2 292.335 0.224 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641971 813103784 /nfs/dbraw/zinc/10/37/84/813103784.db2.gz NRKFSFALCCRFTR-CHWSQXEVSA-N 1 2 287.367 0.407 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641972 813104095 /nfs/dbraw/zinc/10/40/95/813104095.db2.gz NRKFSFALCCRFTR-OLZOCXBDSA-N 1 2 287.367 0.407 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](O)C1 ZINC001083637460 815580349 /nfs/dbraw/zinc/58/03/49/815580349.db2.gz WYWQWUBZLJLMPE-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001268942136 813151457 /nfs/dbraw/zinc/15/14/57/813151457.db2.gz KRWAPJDFNQBLMX-BETUJISGSA-N 1 2 271.320 0.596 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001268942136 813151462 /nfs/dbraw/zinc/15/14/62/813151462.db2.gz KRWAPJDFNQBLMX-BETUJISGSA-N 1 2 271.320 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](O)C1 ZINC001083637460 815580354 /nfs/dbraw/zinc/58/03/54/815580354.db2.gz WYWQWUBZLJLMPE-OCCSQVGLSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001127031434 815580577 /nfs/dbraw/zinc/58/05/77/815580577.db2.gz BZHKITMZMPIENB-UHFFFAOYSA-N 1 2 292.339 0.193 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001269046455 813191990 /nfs/dbraw/zinc/19/19/90/813191990.db2.gz LSVAKTAFKKZFSF-DVOMOZLQSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001269046455 813191994 /nfs/dbraw/zinc/19/19/94/813191994.db2.gz LSVAKTAFKKZFSF-DVOMOZLQSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001127045467 815599361 /nfs/dbraw/zinc/59/93/61/815599361.db2.gz BNXDYYBQEVLLKG-NEPJUHHUSA-N 1 2 279.340 0.788 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269172530 813247794 /nfs/dbraw/zinc/24/77/94/813247794.db2.gz PAFYFNWYSQJOEC-SNVBAGLBSA-N 1 2 253.346 0.265 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269172530 813247800 /nfs/dbraw/zinc/24/78/00/813247800.db2.gz PAFYFNWYSQJOEC-SNVBAGLBSA-N 1 2 253.346 0.265 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(CC)C1=O ZINC001269221982 813275117 /nfs/dbraw/zinc/27/51/17/813275117.db2.gz CXAZRYISGCKSEX-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(CC)C1=O ZINC001269221982 813275120 /nfs/dbraw/zinc/27/51/20/813275120.db2.gz CXAZRYISGCKSEX-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO CCn1nccc1C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269222790 813275979 /nfs/dbraw/zinc/27/59/79/813275979.db2.gz IMZWNNPBKNJVEE-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1nccc1C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269222790 813275985 /nfs/dbraw/zinc/27/59/85/813275985.db2.gz IMZWNNPBKNJVEE-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1cc[nH]c(=O)c1 ZINC001269254705 813292017 /nfs/dbraw/zinc/29/20/17/813292017.db2.gz DSMZBBSYRSQZOW-CYBMUJFWSA-N 1 2 289.335 0.128 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1cc[nH]c(=O)c1 ZINC001269254705 813292023 /nfs/dbraw/zinc/29/20/23/813292023.db2.gz DSMZBBSYRSQZOW-CYBMUJFWSA-N 1 2 289.335 0.128 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001269278137 813304948 /nfs/dbraw/zinc/30/49/48/813304948.db2.gz CLWKLJXQMCKKDA-NEPJUHHUSA-N 1 2 265.357 0.244 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001269278137 813304956 /nfs/dbraw/zinc/30/49/56/813304956.db2.gz CLWKLJXQMCKKDA-NEPJUHHUSA-N 1 2 265.357 0.244 20 30 CCEDLO Cn1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C#CC3CC3)C2)n1 ZINC001270581878 813823514 /nfs/dbraw/zinc/82/35/14/813823514.db2.gz BBNXKLCUZKULFA-MRXNPFEDSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C#CC3CC3)C2)n1 ZINC001270581878 813823523 /nfs/dbraw/zinc/82/35/23/813823523.db2.gz BBNXKLCUZKULFA-MRXNPFEDSA-N 1 2 286.379 0.914 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859202 813979496 /nfs/dbraw/zinc/97/94/96/813979496.db2.gz ABTIXTKYWZKVJK-YNEHKIRRSA-N 1 2 297.399 0.149 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859202 813979503 /nfs/dbraw/zinc/97/95/03/813979503.db2.gz ABTIXTKYWZKVJK-YNEHKIRRSA-N 1 2 297.399 0.149 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCF)C2)nn1 ZINC001098700068 814041190 /nfs/dbraw/zinc/04/11/90/814041190.db2.gz CUDXTVGHWFEJOR-CYBMUJFWSA-N 1 2 293.346 0.524 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1CC ZINC001087715482 814195535 /nfs/dbraw/zinc/19/55/35/814195535.db2.gz LEXUATHWXIFIOS-WDEREUQCSA-N 1 2 264.304 0.765 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1CC ZINC001087715482 814195538 /nfs/dbraw/zinc/19/55/38/814195538.db2.gz LEXUATHWXIFIOS-WDEREUQCSA-N 1 2 264.304 0.765 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418027 814228395 /nfs/dbraw/zinc/22/83/95/814228395.db2.gz ODHWFCUAGWETQD-UHTWSYAYSA-N 1 2 294.330 0.409 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418027 814228404 /nfs/dbraw/zinc/22/84/04/814228404.db2.gz ODHWFCUAGWETQD-UHTWSYAYSA-N 1 2 294.330 0.409 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001083422275 814369556 /nfs/dbraw/zinc/36/95/56/814369556.db2.gz ORISIMQSDWCAHL-PWSUYJOCSA-N 1 2 277.324 0.138 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001083422275 814369562 /nfs/dbraw/zinc/36/95/62/814369562.db2.gz ORISIMQSDWCAHL-PWSUYJOCSA-N 1 2 277.324 0.138 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc3ccccn3c2)C1 ZINC001271361552 814390801 /nfs/dbraw/zinc/39/08/01/814390801.db2.gz RPNAALDTAOKDIE-UHFFFAOYSA-N 1 2 297.358 0.739 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088170995 814440609 /nfs/dbraw/zinc/44/06/09/814440609.db2.gz RHEYIDQZENAYCV-OLZOCXBDSA-N 1 2 287.367 0.266 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029679344 814537299 /nfs/dbraw/zinc/53/72/99/814537299.db2.gz ZQFSYVDPKCIFOO-QWRGUYRKSA-N 1 2 293.396 0.978 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029679344 814537304 /nfs/dbraw/zinc/53/73/04/814537304.db2.gz ZQFSYVDPKCIFOO-QWRGUYRKSA-N 1 2 293.396 0.978 20 30 CCEDLO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001059697624 814730608 /nfs/dbraw/zinc/73/06/08/814730608.db2.gz UILKDULRXFNPHE-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001030360594 815995724 /nfs/dbraw/zinc/99/57/24/815995724.db2.gz RLLROSHZVQVVTC-CQSZACIVSA-N 1 2 291.395 0.601 20 30 CCEDLO C=C(C)CN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544847 816099657 /nfs/dbraw/zinc/09/96/57/816099657.db2.gz ZVXQBMRLGBQQIC-LBPRGKRZSA-N 1 2 274.368 0.822 20 30 CCEDLO C#CCCN1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001030584991 816125982 /nfs/dbraw/zinc/12/59/82/816125982.db2.gz NWOPZADFJASZPE-UHFFFAOYSA-N 1 2 276.340 0.174 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001030614323 816148555 /nfs/dbraw/zinc/14/85/55/816148555.db2.gz GZADBVPSAQKSHZ-UHFFFAOYSA-N 1 2 276.340 0.114 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001030688120 816221277 /nfs/dbraw/zinc/22/12/77/816221277.db2.gz RPAWYLCESFTOMV-UHFFFAOYSA-N 1 2 273.336 0.787 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2coc(C(N)=O)c2)C1 ZINC001030741227 816258727 /nfs/dbraw/zinc/25/87/27/816258727.db2.gz VFRFHHNOMJXINN-UHFFFAOYSA-N 1 2 263.297 0.369 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](O)C1 ZINC001083680674 816290520 /nfs/dbraw/zinc/29/05/20/816290520.db2.gz OPDYMUFWYGKLFZ-CVEARBPZSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](O)C1 ZINC001083680674 816290525 /nfs/dbraw/zinc/29/05/25/816290525.db2.gz OPDYMUFWYGKLFZ-CVEARBPZSA-N 1 2 297.358 0.884 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001030919411 816435075 /nfs/dbraw/zinc/43/50/75/816435075.db2.gz TUMQHSCLSUVNHG-WCQYABFASA-N 1 2 250.342 0.483 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001030974396 816521891 /nfs/dbraw/zinc/52/18/91/816521891.db2.gz BYQYLXJLOAWOJV-UHFFFAOYSA-N 1 2 275.308 0.233 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001031040349 816597250 /nfs/dbraw/zinc/59/72/50/816597250.db2.gz RMGLEZNMUGVARQ-UHFFFAOYSA-N 1 2 272.352 0.585 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031076956 816629205 /nfs/dbraw/zinc/62/92/05/816629205.db2.gz DJWLHKGGROTNRM-UBHSHLNASA-N 1 2 282.384 0.539 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nncn3c2)C1 ZINC001031095611 816641349 /nfs/dbraw/zinc/64/13/49/816641349.db2.gz NSWMJVAOMOLSDA-UHFFFAOYSA-N 1 2 271.324 0.719 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001015479313 816647600 /nfs/dbraw/zinc/64/76/00/816647600.db2.gz ARGOECMYERDMMK-SMDDNHRTSA-N 1 2 285.347 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001015479313 816647603 /nfs/dbraw/zinc/64/76/03/816647603.db2.gz ARGOECMYERDMMK-SMDDNHRTSA-N 1 2 285.347 0.346 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001031154820 816712371 /nfs/dbraw/zinc/71/23/71/816712371.db2.gz XFOMYNHSAFKFPG-UHFFFAOYSA-N 1 2 262.313 0.104 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001031161776 816721691 /nfs/dbraw/zinc/72/16/91/816721691.db2.gz BTPIRZANCOHUTO-UHFFFAOYSA-N 1 2 273.340 0.125 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C#C)cn2)C1 ZINC001031278510 816923381 /nfs/dbraw/zinc/92/33/81/816923381.db2.gz OZFXTADOFYDKDH-UHFFFAOYSA-N 1 2 253.305 0.500 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001031282416 816927251 /nfs/dbraw/zinc/92/72/51/816927251.db2.gz GZDXRPVQNAUWLJ-ZDUSSCGKSA-N 1 2 265.357 0.374 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001031311088 816957365 /nfs/dbraw/zinc/95/73/65/816957365.db2.gz KPXCZKLPQHYABU-GFCCVEGCSA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2c(C)csc2=O)C1 ZINC001031376907 817011755 /nfs/dbraw/zinc/01/17/55/817011755.db2.gz IIAPRIAGWBQVDR-UHFFFAOYSA-N 1 2 281.381 0.595 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583355 817166549 /nfs/dbraw/zinc/16/65/49/817166549.db2.gz RZIMJICCDPXWDF-SNVBAGLBSA-N 1 2 271.748 0.066 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031897520 817450334 /nfs/dbraw/zinc/45/03/34/817450334.db2.gz TUPPDNLRAITPRR-WDEREUQCSA-N 1 2 285.775 0.298 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001077572324 817451223 /nfs/dbraw/zinc/45/12/23/817451223.db2.gz PHDQHNUCYCXYPQ-NEPJUHHUSA-N 1 2 291.355 0.444 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccsc2)[C@@H](O)C1 ZINC001083771725 817491100 /nfs/dbraw/zinc/49/11/00/817491100.db2.gz LFLAZMPPACREHO-RTXFEEFZSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccsc2)[C@@H](O)C1 ZINC001083771725 817491106 /nfs/dbraw/zinc/49/11/06/817491106.db2.gz LFLAZMPPACREHO-RTXFEEFZSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccs2)[C@@H](O)C1 ZINC001083772401 817518033 /nfs/dbraw/zinc/51/80/33/817518033.db2.gz HAUCWMJIWKQOBO-UTUOFQBUSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccs2)[C@@H](O)C1 ZINC001083772401 817518036 /nfs/dbraw/zinc/51/80/36/817518036.db2.gz HAUCWMJIWKQOBO-UTUOFQBUSA-N 1 2 278.377 0.646 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(CC#N)C1 ZINC001031987433 817526093 /nfs/dbraw/zinc/52/60/93/817526093.db2.gz NVFXYWXUCRYHNC-VXGBXAGGSA-N 1 2 273.340 0.095 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124896862 817621686 /nfs/dbraw/zinc/62/16/86/817621686.db2.gz PZPBSECOHWGZAU-YUMQZZPRSA-N 1 2 253.331 0.465 20 30 CCEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124902080 817624599 /nfs/dbraw/zinc/62/45/99/817624599.db2.gz GPFNGJMYWRPJNG-DTWKUNHWSA-N 1 2 265.317 0.558 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001032100643 817630428 /nfs/dbraw/zinc/63/04/28/817630428.db2.gz CQDTVMXKHGWBLW-UHFFFAOYSA-N 1 2 273.336 0.368 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124909031 817632769 /nfs/dbraw/zinc/63/27/69/817632769.db2.gz XZZVNBQARRZWGS-RKDXNWHRSA-N 1 2 265.317 0.558 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107080539 817718193 /nfs/dbraw/zinc/71/81/93/817718193.db2.gz PDXPXDGSLWUANE-HMDXOVGESA-N 1 2 299.338 0.607 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCOC)nn2)C1 ZINC001107105618 817735795 /nfs/dbraw/zinc/73/57/95/817735795.db2.gz NLLNMKFBFKMNFH-UHFFFAOYSA-N 1 2 293.371 0.364 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(F)F)nn2)C1 ZINC001107114434 817759275 /nfs/dbraw/zinc/75/92/75/817759275.db2.gz SAHBQOGDXWCVTQ-UHFFFAOYSA-N 1 2 283.282 0.039 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032259864 817761086 /nfs/dbraw/zinc/76/10/86/817761086.db2.gz UZOPPIJWNGFPEX-RYUDHWBXSA-N 1 2 258.325 0.870 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)cn1 ZINC001032259864 817761089 /nfs/dbraw/zinc/76/10/89/817761089.db2.gz UZOPPIJWNGFPEX-RYUDHWBXSA-N 1 2 258.325 0.870 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)OC)nn2)C1 ZINC001107139630 817790594 /nfs/dbraw/zinc/79/05/94/817790594.db2.gz RSULTRLBDDTNQK-CYBMUJFWSA-N 1 2 293.371 0.362 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCF)nn2)C1 ZINC001107196714 817806372 /nfs/dbraw/zinc/80/63/72/817806372.db2.gz RNAQRLYJGSBYHC-UHFFFAOYSA-N 1 2 293.346 0.524 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C ZINC001032314802 817845392 /nfs/dbraw/zinc/84/53/92/817845392.db2.gz MPJBLCCWZDLJIX-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C ZINC001032314802 817845396 /nfs/dbraw/zinc/84/53/96/817845396.db2.gz MPJBLCCWZDLJIX-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707359 817954602 /nfs/dbraw/zinc/95/46/02/817954602.db2.gz NVNIJPQAWLWDMN-LLVKDONJSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707738 817955917 /nfs/dbraw/zinc/95/59/17/817955917.db2.gz WCJPIVUKXWSKAP-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001077662493 817958400 /nfs/dbraw/zinc/95/84/00/817958400.db2.gz LFLAZMPPACREHO-RAIGVLPGSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001077662493 817958402 /nfs/dbraw/zinc/95/84/02/817958402.db2.gz LFLAZMPPACREHO-RAIGVLPGSA-N 1 2 278.377 0.646 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 ZINC001078775817 818049737 /nfs/dbraw/zinc/04/97/37/818049737.db2.gz AEFHTEOVNLYCQV-QWHCGFSZSA-N 1 2 287.367 0.503 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](O)C1 ZINC001083799566 818057783 /nfs/dbraw/zinc/05/77/83/818057783.db2.gz JBSGHDOKCLLVJS-KGLIPLIRSA-N 1 2 286.331 0.030 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](O)C1 ZINC001083799566 818057791 /nfs/dbraw/zinc/05/77/91/818057791.db2.gz JBSGHDOKCLLVJS-KGLIPLIRSA-N 1 2 286.331 0.030 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128259359 818136046 /nfs/dbraw/zinc/13/60/46/818136046.db2.gz AHZQJBHUSRNKFB-UHFFFAOYSA-N 1 2 278.356 0.537 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128259359 818136051 /nfs/dbraw/zinc/13/60/51/818136051.db2.gz AHZQJBHUSRNKFB-UHFFFAOYSA-N 1 2 278.356 0.537 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089998054 818240502 /nfs/dbraw/zinc/24/05/02/818240502.db2.gz TUBZNMUGMCQUED-IUCAKERBSA-N 1 2 282.718 0.946 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001089998054 818240507 /nfs/dbraw/zinc/24/05/07/818240507.db2.gz TUBZNMUGMCQUED-IUCAKERBSA-N 1 2 282.718 0.946 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001032899379 818346993 /nfs/dbraw/zinc/34/69/93/818346993.db2.gz ILEKWWLVUUFVCI-JTQLQIEISA-N 1 2 264.354 0.626 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001032899379 818346996 /nfs/dbraw/zinc/34/69/96/818346996.db2.gz ILEKWWLVUUFVCI-JTQLQIEISA-N 1 2 264.354 0.626 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001033087593 818505511 /nfs/dbraw/zinc/50/55/11/818505511.db2.gz XTDDZEYSWBCEDS-UONOGXRCSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001033087593 818505518 /nfs/dbraw/zinc/50/55/18/818505518.db2.gz XTDDZEYSWBCEDS-UONOGXRCSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001033087587 818505949 /nfs/dbraw/zinc/50/59/49/818505949.db2.gz XTDDZEYSWBCEDS-KBPBESRZSA-N 1 2 286.379 0.996 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001033087587 818505954 /nfs/dbraw/zinc/50/59/54/818505954.db2.gz XTDDZEYSWBCEDS-KBPBESRZSA-N 1 2 286.379 0.996 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001033422378 818771334 /nfs/dbraw/zinc/77/13/34/818771334.db2.gz RHAXXJFWIKEYJK-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001033422378 818771339 /nfs/dbraw/zinc/77/13/39/818771339.db2.gz RHAXXJFWIKEYJK-RISCZKNCSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001033575898 818834818 /nfs/dbraw/zinc/83/48/18/818834818.db2.gz DOAUFXTWZLSUHW-NWDGAFQWSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001033575898 818834824 /nfs/dbraw/zinc/83/48/24/818834824.db2.gz DOAUFXTWZLSUHW-NWDGAFQWSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001033575898 818834827 /nfs/dbraw/zinc/83/48/27/818834827.db2.gz DOAUFXTWZLSUHW-NWDGAFQWSA-N 1 2 289.383 0.628 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001033575898 818834832 /nfs/dbraw/zinc/83/48/32/818834832.db2.gz DOAUFXTWZLSUHW-NWDGAFQWSA-N 1 2 289.383 0.628 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090143769 818913116 /nfs/dbraw/zinc/91/31/16/818913116.db2.gz AYZXRTVPATTYJU-ZYHUDNBSSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090143769 818913124 /nfs/dbraw/zinc/91/31/24/818913124.db2.gz AYZXRTVPATTYJU-ZYHUDNBSSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090143759 818914498 /nfs/dbraw/zinc/91/44/98/818914498.db2.gz AYZXRTVPATTYJU-CMPLNLGQSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 ZINC001090143759 818914503 /nfs/dbraw/zinc/91/45/03/818914503.db2.gz AYZXRTVPATTYJU-CMPLNLGQSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCNC2=O)C1 ZINC001033924718 818990532 /nfs/dbraw/zinc/99/05/32/818990532.db2.gz XYROJHCUQFGNCY-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCNC2=O)C1 ZINC001033924718 818990537 /nfs/dbraw/zinc/99/05/37/818990537.db2.gz XYROJHCUQFGNCY-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021702 819037359 /nfs/dbraw/zinc/03/73/59/819037359.db2.gz STABAPBBLKNRKK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021702 819037362 /nfs/dbraw/zinc/03/73/62/819037362.db2.gz STABAPBBLKNRKK-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128835034 819073195 /nfs/dbraw/zinc/07/31/95/819073195.db2.gz WNWWHZJTASGHJI-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128835034 819073200 /nfs/dbraw/zinc/07/32/00/819073200.db2.gz WNWWHZJTASGHJI-MCIONIFRSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953850 819217503 /nfs/dbraw/zinc/21/75/03/819217503.db2.gz XTBPDMMKSOSWHA-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953850 819217509 /nfs/dbraw/zinc/21/75/09/819217509.db2.gz XTBPDMMKSOSWHA-MJBXVCDLSA-N 1 2 289.383 0.689 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108136176 819281327 /nfs/dbraw/zinc/28/13/27/819281327.db2.gz QSKSOAQEVQFDSP-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO N#Cc1cnc(-n2[nH]c(=O)nc2C[NH3+])c2ccccc12 ZINC001168756522 819298144 /nfs/dbraw/zinc/29/81/44/819298144.db2.gz OTBOHUVXOJPMTE-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250325 819310026 /nfs/dbraw/zinc/31/00/26/819310026.db2.gz YXLYSDKLDDFXSQ-UWVGGRQHSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001090250325 819310032 /nfs/dbraw/zinc/31/00/32/819310032.db2.gz YXLYSDKLDDFXSQ-UWVGGRQHSA-N 1 2 284.747 0.327 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)n2C)C1 ZINC001108160841 819331432 /nfs/dbraw/zinc/33/14/32/819331432.db2.gz VBTUTAYFDDKHPT-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)n2C)C1 ZINC001108160841 819331442 /nfs/dbraw/zinc/33/14/42/819331442.db2.gz VBTUTAYFDDKHPT-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035291481 819437703 /nfs/dbraw/zinc/43/77/03/819437703.db2.gz XDJPWTFVYNUSII-NWDGAFQWSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001035291481 819437708 /nfs/dbraw/zinc/43/77/08/819437708.db2.gz XDJPWTFVYNUSII-NWDGAFQWSA-N 1 2 254.330 0.168 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035297521 819443409 /nfs/dbraw/zinc/44/34/09/819443409.db2.gz CRZFDCKHKVQVNG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001035297521 819443413 /nfs/dbraw/zinc/44/34/13/819443413.db2.gz CRZFDCKHKVQVNG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035307185 819458931 /nfs/dbraw/zinc/45/89/31/819458931.db2.gz NWZWPYUXJYAEPT-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035307185 819458934 /nfs/dbraw/zinc/45/89/34/819458934.db2.gz NWZWPYUXJYAEPT-CYBMUJFWSA-N 1 2 291.326 0.675 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315771 819466053 /nfs/dbraw/zinc/46/60/53/819466053.db2.gz FOTGREHSYNJSMF-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001035315771 819466058 /nfs/dbraw/zinc/46/60/58/819466058.db2.gz FOTGREHSYNJSMF-CQSZACIVSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001035321645 819468973 /nfs/dbraw/zinc/46/89/73/819468973.db2.gz BLYMIBSMAPTCCU-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001035321645 819468979 /nfs/dbraw/zinc/46/89/79/819468979.db2.gz BLYMIBSMAPTCCU-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035342407 819482321 /nfs/dbraw/zinc/48/23/21/819482321.db2.gz NRQOGKKXSVMGOX-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035342407 819482324 /nfs/dbraw/zinc/48/23/24/819482324.db2.gz NRQOGKKXSVMGOX-ZDUSSCGKSA-N 1 2 277.368 0.950 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001035346814 819486098 /nfs/dbraw/zinc/48/60/98/819486098.db2.gz NMLHJMJBIPLCGO-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001035346814 819486103 /nfs/dbraw/zinc/48/61/03/819486103.db2.gz NMLHJMJBIPLCGO-LBPRGKRZSA-N 1 2 278.356 0.520 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001035471897 819528824 /nfs/dbraw/zinc/52/88/24/819528824.db2.gz XBBSMISQPHSHQF-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001035471897 819528832 /nfs/dbraw/zinc/52/88/32/819528832.db2.gz XBBSMISQPHSHQF-NSHDSACASA-N 1 2 294.355 0.132 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035468427 819539024 /nfs/dbraw/zinc/53/90/24/819539024.db2.gz GQOIUMNAMRFJCT-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001035468427 819539031 /nfs/dbraw/zinc/53/90/31/819539031.db2.gz GQOIUMNAMRFJCT-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC001035493378 819548377 /nfs/dbraw/zinc/54/83/77/819548377.db2.gz JAXBHSOCKHEPJH-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC001035493378 819548382 /nfs/dbraw/zinc/54/83/82/819548382.db2.gz JAXBHSOCKHEPJH-LBPRGKRZSA-N 1 2 291.351 0.707 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001035548804 819562341 /nfs/dbraw/zinc/56/23/41/819562341.db2.gz BMLUZASULYHDMX-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001035548804 819562345 /nfs/dbraw/zinc/56/23/45/819562345.db2.gz BMLUZASULYHDMX-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001035548804 819562347 /nfs/dbraw/zinc/56/23/47/819562347.db2.gz BMLUZASULYHDMX-LLVKDONJSA-N 1 2 279.344 0.202 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579181 819576586 /nfs/dbraw/zinc/57/65/86/819576586.db2.gz DNGNVPIFHPFRCZ-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)cn2)C1 ZINC001035579181 819576589 /nfs/dbraw/zinc/57/65/89/819576589.db2.gz DNGNVPIFHPFRCZ-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035593454 819581158 /nfs/dbraw/zinc/58/11/58/819581158.db2.gz WLPWJTMOTJJBIP-ZDUSSCGKSA-N 1 2 291.351 0.794 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001035593454 819581161 /nfs/dbraw/zinc/58/11/61/819581161.db2.gz WLPWJTMOTJJBIP-ZDUSSCGKSA-N 1 2 291.351 0.794 20 30 CCEDLO COc1cc(-n2[nH]c(=O)nc2C[NH3+])ccc1CC#N ZINC001168761297 819818669 /nfs/dbraw/zinc/81/86/69/819818669.db2.gz PGAANVZWEVMLAD-UHFFFAOYSA-N 1 2 259.269 0.506 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036701809 820049814 /nfs/dbraw/zinc/04/98/14/820049814.db2.gz CQSXCFNDUQUGIK-QWHCGFSZSA-N 1 2 287.367 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001079454800 820391293 /nfs/dbraw/zinc/39/12/93/820391293.db2.gz KZASQZKJENUOTH-NXEZZACHSA-N 1 2 264.354 0.612 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC001079454800 820391301 /nfs/dbraw/zinc/39/13/01/820391301.db2.gz KZASQZKJENUOTH-NXEZZACHSA-N 1 2 264.354 0.612 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080279510 820545826 /nfs/dbraw/zinc/54/58/26/820545826.db2.gz ZVGMGDRZOSOQAC-VXNVDRBHSA-N 1 2 284.751 0.013 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080279510 820545833 /nfs/dbraw/zinc/54/58/33/820545833.db2.gz ZVGMGDRZOSOQAC-VXNVDRBHSA-N 1 2 284.751 0.013 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001080386968 820558870 /nfs/dbraw/zinc/55/88/70/820558870.db2.gz FCUFKGHSUBVFCB-NXEZZACHSA-N 1 2 264.329 0.362 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001080386968 820558879 /nfs/dbraw/zinc/55/88/79/820558879.db2.gz FCUFKGHSUBVFCB-NXEZZACHSA-N 1 2 264.329 0.362 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001080397874 820565635 /nfs/dbraw/zinc/56/56/35/820565635.db2.gz YATKTDYELSFZIZ-PSASIEDQSA-N 1 2 252.293 0.785 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001080397874 820565640 /nfs/dbraw/zinc/56/56/40/820565640.db2.gz YATKTDYELSFZIZ-PSASIEDQSA-N 1 2 252.293 0.785 20 30 CCEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080414413 820571994 /nfs/dbraw/zinc/57/19/94/820571994.db2.gz KZNFNMJKRHLOTQ-JTQLQIEISA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2COC)C1 ZINC001080581484 820595930 /nfs/dbraw/zinc/59/59/30/820595930.db2.gz SBCMHUVCZISYKG-GHMZBOCLSA-N 1 2 293.392 0.973 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2COC)C1 ZINC001080581484 820595937 /nfs/dbraw/zinc/59/59/37/820595937.db2.gz SBCMHUVCZISYKG-GHMZBOCLSA-N 1 2 293.392 0.973 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 ZINC001081493752 820777616 /nfs/dbraw/zinc/77/76/16/820777616.db2.gz VZHMMZWVFGCBTO-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 ZINC001081493752 820777619 /nfs/dbraw/zinc/77/76/19/820777619.db2.gz VZHMMZWVFGCBTO-GHMZBOCLSA-N 1 2 263.297 0.045 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 ZINC001081493046 820777692 /nfs/dbraw/zinc/77/76/92/820777692.db2.gz IFPNEPWAOHPQFZ-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 ZINC001081493046 820777699 /nfs/dbraw/zinc/77/76/99/820777699.db2.gz IFPNEPWAOHPQFZ-VXGBXAGGSA-N 1 2 277.324 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](OC)C1 ZINC001082042426 820881773 /nfs/dbraw/zinc/88/17/73/820881773.db2.gz OXFXXAAWUSEQGL-CHWSQXEVSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](OC)C1 ZINC001082042426 820881789 /nfs/dbraw/zinc/88/17/89/820881789.db2.gz OXFXXAAWUSEQGL-CHWSQXEVSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@H](OC)C1 ZINC001082275672 820929988 /nfs/dbraw/zinc/92/99/88/820929988.db2.gz HQMDVYDXLUTGHN-GHMZBOCLSA-N 1 2 298.293 0.340 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@H](OC)C1 ZINC001082275672 820929991 /nfs/dbraw/zinc/92/99/91/820929991.db2.gz HQMDVYDXLUTGHN-GHMZBOCLSA-N 1 2 298.293 0.340 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@H](OC)C1 ZINC001082337760 820942560 /nfs/dbraw/zinc/94/25/60/820942560.db2.gz GNKNGXHEFHETMS-MWLCHTKSSA-N 1 2 297.742 0.780 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@H](OC)C1 ZINC001082337760 820942562 /nfs/dbraw/zinc/94/25/62/820942562.db2.gz GNKNGXHEFHETMS-MWLCHTKSSA-N 1 2 297.742 0.780 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099741266 820947492 /nfs/dbraw/zinc/94/74/92/820947492.db2.gz QIBKLWGBCWDXOZ-NEPJUHHUSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099741266 820947500 /nfs/dbraw/zinc/94/75/00/820947500.db2.gz QIBKLWGBCWDXOZ-NEPJUHHUSA-N 1 2 288.775 0.493 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@H](OC)C1 ZINC001082382235 820953761 /nfs/dbraw/zinc/95/37/61/820953761.db2.gz VLTCUJYFMHEWLF-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@H](OC)C1 ZINC001082382235 820953769 /nfs/dbraw/zinc/95/37/69/820953769.db2.gz VLTCUJYFMHEWLF-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@H](OC)C1 ZINC001082397878 820957735 /nfs/dbraw/zinc/95/77/35/820957735.db2.gz XCOUBACRLXYVJO-ZIAGYGMSSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@H](OC)C1 ZINC001082397878 820957741 /nfs/dbraw/zinc/95/77/41/820957741.db2.gz XCOUBACRLXYVJO-ZIAGYGMSSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C=CCC3)[C@H]2C1 ZINC001082993955 821097983 /nfs/dbraw/zinc/09/79/83/821097983.db2.gz SLUJEKPCXBVHRJ-QLFBSQMISA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C=CCC3)[C@H]2C1 ZINC001082993955 821097988 /nfs/dbraw/zinc/09/79/88/821097988.db2.gz SLUJEKPCXBVHRJ-QLFBSQMISA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccco3)[C@H]2C1 ZINC001082997680 821099832 /nfs/dbraw/zinc/09/98/32/821099832.db2.gz HBHRNZJBIFSELS-LSDHHAIUSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccco3)[C@H]2C1 ZINC001082997680 821099840 /nfs/dbraw/zinc/09/98/40/821099840.db2.gz HBHRNZJBIFSELS-LSDHHAIUSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)n3)[C@H]2C1 ZINC001082999604 821101498 /nfs/dbraw/zinc/10/14/98/821101498.db2.gz XBWNXPAZXAHKHU-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)n3)[C@H]2C1 ZINC001082999604 821101501 /nfs/dbraw/zinc/10/15/01/821101501.db2.gz XBWNXPAZXAHKHU-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001083000234 821102900 /nfs/dbraw/zinc/10/29/00/821102900.db2.gz CDYFAKCWRJGXKT-UONOGXRCSA-N 1 2 274.320 0.828 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001083000234 821102905 /nfs/dbraw/zinc/10/29/05/821102905.db2.gz CDYFAKCWRJGXKT-UONOGXRCSA-N 1 2 274.320 0.828 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnns3)[C@H]2C1 ZINC001083010298 821105463 /nfs/dbraw/zinc/10/54/63/821105463.db2.gz FVNQRSOXKPUKCS-WDEREUQCSA-N 1 2 294.380 0.639 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnns3)[C@H]2C1 ZINC001083010298 821105467 /nfs/dbraw/zinc/10/54/67/821105467.db2.gz FVNQRSOXKPUKCS-WDEREUQCSA-N 1 2 294.380 0.639 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCO3)[C@H]2C1 ZINC001083051342 821128355 /nfs/dbraw/zinc/12/83/55/821128355.db2.gz BXCOXMFJFOKYHA-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCO3)[C@H]2C1 ZINC001083051342 821128362 /nfs/dbraw/zinc/12/83/62/821128362.db2.gz BXCOXMFJFOKYHA-SOUVJXGZSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H](O)C1 ZINC001083937710 821160256 /nfs/dbraw/zinc/16/02/56/821160256.db2.gz ILVFRZXBWJILOA-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H](O)C1 ZINC001083937710 821160263 /nfs/dbraw/zinc/16/02/63/821160263.db2.gz ILVFRZXBWJILOA-ZJUUUORDSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCCC3)[C@@H](O)C1 ZINC001083997078 821170257 /nfs/dbraw/zinc/17/02/57/821170257.db2.gz PWXKZVKRDLPAND-KGLIPLIRSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occ3c2CCCC3)[C@@H](O)C1 ZINC001083997078 821170263 /nfs/dbraw/zinc/17/02/63/821170263.db2.gz PWXKZVKRDLPAND-KGLIPLIRSA-N 1 2 288.347 0.567 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001084117499 821194266 /nfs/dbraw/zinc/19/42/66/821194266.db2.gz VFKOBFZRTMZTIW-KGLIPLIRSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001084117499 821194270 /nfs/dbraw/zinc/19/42/70/821194270.db2.gz VFKOBFZRTMZTIW-KGLIPLIRSA-N 1 2 284.315 0.841 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465367 821294010 /nfs/dbraw/zinc/29/40/10/821294010.db2.gz JQQXLYJZTOLKBA-MGPQQGTHSA-N 1 2 299.378 0.502 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464865 821294261 /nfs/dbraw/zinc/29/42/61/821294261.db2.gz WMFXAIIQNFVAQV-HZSPNIEDSA-N 1 2 299.378 0.502 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085592655 821837591 /nfs/dbraw/zinc/83/75/91/821837591.db2.gz PATMUNUFUCBXAF-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085592655 821837598 /nfs/dbraw/zinc/83/75/98/821837598.db2.gz PATMUNUFUCBXAF-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085609981 821848761 /nfs/dbraw/zinc/84/87/61/821848761.db2.gz GIJZQJAFGRQYPA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085609981 821848765 /nfs/dbraw/zinc/84/87/65/821848765.db2.gz GIJZQJAFGRQYPA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085609981 821848773 /nfs/dbraw/zinc/84/87/73/821848773.db2.gz GIJZQJAFGRQYPA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085609981 821848780 /nfs/dbraw/zinc/84/87/80/821848780.db2.gz GIJZQJAFGRQYPA-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001085661898 821878091 /nfs/dbraw/zinc/87/80/91/821878091.db2.gz LAVRCXQJISXLEC-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001085661898 821878101 /nfs/dbraw/zinc/87/81/01/821878101.db2.gz LAVRCXQJISXLEC-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796783 821958259 /nfs/dbraw/zinc/95/82/59/821958259.db2.gz ZOCNFQANAVRRBN-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796783 821958263 /nfs/dbraw/zinc/95/82/63/821958263.db2.gz ZOCNFQANAVRRBN-LBPRGKRZSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085857582 821981165 /nfs/dbraw/zinc/98/11/65/821981165.db2.gz CEAJOWFIILKMSC-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)n1 ZINC001085857582 821981174 /nfs/dbraw/zinc/98/11/74/821981174.db2.gz CEAJOWFIILKMSC-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1CC ZINC001085949031 822034835 /nfs/dbraw/zinc/03/48/35/822034835.db2.gz VKOBVSFIIYDQCU-NSHDSACASA-N 1 2 260.341 0.752 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1CC ZINC001085949031 822034842 /nfs/dbraw/zinc/03/48/42/822034842.db2.gz VKOBVSFIIYDQCU-NSHDSACASA-N 1 2 260.341 0.752 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126201 822121368 /nfs/dbraw/zinc/12/13/68/822121368.db2.gz UUBUBNZLOXYGRB-UPJWGTAASA-N 1 2 287.367 0.453 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108307054 822345480 /nfs/dbraw/zinc/34/54/80/822345480.db2.gz UYKDKWZKDQKTBM-CVEARBPZSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108307054 822345490 /nfs/dbraw/zinc/34/54/90/822345490.db2.gz UYKDKWZKDQKTBM-CVEARBPZSA-N 1 2 294.395 0.643 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114117205 837443339 /nfs/dbraw/zinc/44/33/39/837443339.db2.gz NMYIQMPKAHTICN-IWIIMEHWSA-N 1 2 295.774 0.536 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114117205 837443375 /nfs/dbraw/zinc/44/33/75/837443375.db2.gz NMYIQMPKAHTICN-IWIIMEHWSA-N 1 2 295.774 0.536 20 30 CCEDLO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255707 837489273 /nfs/dbraw/zinc/48/92/73/837489273.db2.gz MPEMAFJAIILSLW-PBOSXPJTSA-N 1 2 299.378 0.336 20 30 CCEDLO C[C@H](c1nncn1C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114255707 837489276 /nfs/dbraw/zinc/48/92/76/837489276.db2.gz MPEMAFJAIILSLW-PBOSXPJTSA-N 1 2 299.378 0.336 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001108431105 836079779 /nfs/dbraw/zinc/07/97/79/836079779.db2.gz VSNPYTIUCVHYRX-NSHDSACASA-N 1 2 284.323 0.767 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975189 836091720 /nfs/dbraw/zinc/09/17/20/836091720.db2.gz UMPRXYHRPIGDBI-VGMNWLOBSA-N 1 2 262.331 0.493 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108432911 836105981 /nfs/dbraw/zinc/10/59/81/836105981.db2.gz SMIRGQBMULDQPE-HOCLYGCPSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108432911 836105982 /nfs/dbraw/zinc/10/59/82/836105982.db2.gz SMIRGQBMULDQPE-HOCLYGCPSA-N 1 2 294.395 0.808 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(OC)cc2C#N)C[NH2+]1 ZINC001169130480 836145707 /nfs/dbraw/zinc/14/57/07/836145707.db2.gz XSOAFUFBXDAZAW-KOLCDFICSA-N 1 2 276.296 0.277 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 ZINC001108468509 836264057 /nfs/dbraw/zinc/26/40/57/836264057.db2.gz HVMMZFDGBHQJOT-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001156319840 836280825 /nfs/dbraw/zinc/28/08/25/836280825.db2.gz HDCSVIAKQREBRT-LBPRGKRZSA-N 1 2 271.324 0.276 20 30 CCEDLO CCN(CC)C(=O)C[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001169462825 836298250 /nfs/dbraw/zinc/29/82/50/836298250.db2.gz HPQIQTSTFJPJNJ-VXGBXAGGSA-N 1 2 252.362 0.431 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C\C)CC2=O)C1 ZINC001108529713 836427297 /nfs/dbraw/zinc/42/72/97/836427297.db2.gz MVWMTVXVYWKUFF-QWGHSUKYSA-N 1 2 291.395 0.930 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108541404 836434152 /nfs/dbraw/zinc/43/41/52/836434152.db2.gz VQPNYIRHQUYAOO-CYBMUJFWSA-N 1 2 289.379 0.377 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108568598 836456111 /nfs/dbraw/zinc/45/61/11/836456111.db2.gz XVTGYIXEJOEZEC-CYBMUJFWSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718625 836514545 /nfs/dbraw/zinc/51/45/45/836514545.db2.gz MHMVRTQRPCSKRS-JTQLQIEISA-N 1 2 284.323 0.258 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001108843510 836546015 /nfs/dbraw/zinc/54/60/15/836546015.db2.gz SOZRIYZKGZHGIY-AGIUHOORSA-N 1 2 277.368 0.420 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001108843510 836546021 /nfs/dbraw/zinc/54/60/21/836546021.db2.gz SOZRIYZKGZHGIY-AGIUHOORSA-N 1 2 277.368 0.420 20 30 CCEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001108881076 836558509 /nfs/dbraw/zinc/55/85/09/836558509.db2.gz WUHVBPMPJUWRRQ-NXEZZACHSA-N 1 2 261.329 0.886 20 30 CCEDLO C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109056825 836610922 /nfs/dbraw/zinc/61/09/22/836610922.db2.gz HTWRIEBNSBDWNE-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001109597286 836702916 /nfs/dbraw/zinc/70/29/16/836702916.db2.gz GMHPXRPTKRGLGM-IELRGYKMSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)C2 ZINC001109597286 836702923 /nfs/dbraw/zinc/70/29/23/836702923.db2.gz GMHPXRPTKRGLGM-IELRGYKMSA-N 1 2 299.802 0.972 20 30 CCEDLO CN(CCCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633809 836707423 /nfs/dbraw/zinc/70/74/23/836707423.db2.gz QYHLOKRBXKALDA-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)CCC)CC1 ZINC001112661879 836851041 /nfs/dbraw/zinc/85/10/41/836851041.db2.gz OUPNVUGQDYFWHI-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001112713752 836880203 /nfs/dbraw/zinc/88/02/03/836880203.db2.gz CGVDHCXFDIUMLV-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC001112824931 836929606 /nfs/dbraw/zinc/92/96/06/836929606.db2.gz LUQQPYCKKUYEOL-UHFFFAOYSA-N 1 2 262.353 0.747 20 30 CCEDLO C=CCCC[NH+]1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001112880531 836951281 /nfs/dbraw/zinc/95/12/81/836951281.db2.gz GFMCBLWRMVSBIY-UHFFFAOYSA-N 1 2 286.397 0.141 20 30 CCEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001112885661 836954108 /nfs/dbraw/zinc/95/41/08/836954108.db2.gz KJWYORXADDBOGK-UHFFFAOYSA-N 1 2 296.411 0.908 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@]2(CC(C)C)CCNC2=O)CC1 ZINC001112984664 836985388 /nfs/dbraw/zinc/98/53/88/836985388.db2.gz VWGRNCHYTSPRAU-INIZCTEOSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ccc(C#N)nn1 ZINC001113313510 837083910 /nfs/dbraw/zinc/08/39/10/837083910.db2.gz IYJBHVVBKIOFSG-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCCOC)CC1 ZINC001113396802 837107396 /nfs/dbraw/zinc/10/73/96/837107396.db2.gz SGYSALBLTXVKBI-LBPRGKRZSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001113402899 837108538 /nfs/dbraw/zinc/10/85/38/837108538.db2.gz JZGCCJQSYVDIDO-UHFFFAOYSA-N 1 2 292.383 0.863 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COC[C@@H]2CCOC2)CC1 ZINC001113396526 837108710 /nfs/dbraw/zinc/10/87/10/837108710.db2.gz IYUNYBJTJQJAHF-CYBMUJFWSA-N 1 2 268.357 0.370 20 30 CCEDLO N#C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C(N)=O ZINC001170533232 837978559 /nfs/dbraw/zinc/97/85/59/837978559.db2.gz YEMLZEYWOAGPOE-JTQLQIEISA-N 1 2 256.269 0.116 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131793577 838220586 /nfs/dbraw/zinc/22/05/86/838220586.db2.gz VIGUJNUTOLAVKT-ZJUUUORDSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131793577 838220597 /nfs/dbraw/zinc/22/05/97/838220597.db2.gz VIGUJNUTOLAVKT-ZJUUUORDSA-N 1 2 288.779 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132303977 838359191 /nfs/dbraw/zinc/35/91/91/838359191.db2.gz DKPQQNQDBFMOGW-WCQYABFASA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132303977 838359198 /nfs/dbraw/zinc/35/91/98/838359198.db2.gz DKPQQNQDBFMOGW-WCQYABFASA-N 1 2 275.356 0.340 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001133371898 838613415 /nfs/dbraw/zinc/61/34/15/838613415.db2.gz XYMOURDWDVHOIG-OLZOCXBDSA-N 1 2 275.356 0.481 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)c1 ZINC001133596947 838678418 /nfs/dbraw/zinc/67/84/18/838678418.db2.gz FSWPCOPGUDQGPA-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408162 839241539 /nfs/dbraw/zinc/24/15/39/839241539.db2.gz TYGOQPAIPOZAMF-MNOVXSKESA-N 1 2 296.346 0.685 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090538812 839626838 /nfs/dbraw/zinc/62/68/38/839626838.db2.gz ULPJYBUAZDMVMG-VXGBXAGGSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090538812 839626841 /nfs/dbraw/zinc/62/68/41/839626841.db2.gz ULPJYBUAZDMVMG-VXGBXAGGSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553274 839636237 /nfs/dbraw/zinc/63/62/37/839636237.db2.gz LNJYKXAYZDWPBM-GHMZBOCLSA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553274 839636240 /nfs/dbraw/zinc/63/62/40/839636240.db2.gz LNJYKXAYZDWPBM-GHMZBOCLSA-N 1 2 282.319 0.290 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110368848 844457867 /nfs/dbraw/zinc/45/78/67/844457867.db2.gz OUOVNPGTDBYAPW-MXWKQRLJSA-N 1 2 251.330 0.159 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110368848 844457870 /nfs/dbraw/zinc/45/78/70/844457870.db2.gz OUOVNPGTDBYAPW-MXWKQRLJSA-N 1 2 251.330 0.159 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c1 ZINC001090558760 839641869 /nfs/dbraw/zinc/64/18/69/839641869.db2.gz GKGWZKIQDRASOC-KGLIPLIRSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c1 ZINC001090558760 839641876 /nfs/dbraw/zinc/64/18/76/839641876.db2.gz GKGWZKIQDRASOC-KGLIPLIRSA-N 1 2 291.326 0.197 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(F)F)C2)nn1 ZINC001185822330 844466363 /nfs/dbraw/zinc/46/63/63/844466363.db2.gz RGUYGACQVZCJJY-LLVKDONJSA-N 1 2 297.309 0.430 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090703471 839746198 /nfs/dbraw/zinc/74/61/98/839746198.db2.gz GVMWQEFRXZAZPX-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 ZINC001090703471 839746209 /nfs/dbraw/zinc/74/62/09/839746209.db2.gz GVMWQEFRXZAZPX-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186035527 844489756 /nfs/dbraw/zinc/48/97/56/844489756.db2.gz KLWVRXSTQVRTHL-LLVKDONJSA-N 1 2 260.297 0.267 20 30 CCEDLO Cc1ncc(C#N)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186035527 844489759 /nfs/dbraw/zinc/48/97/59/844489759.db2.gz KLWVRXSTQVRTHL-LLVKDONJSA-N 1 2 260.297 0.267 20 30 CCEDLO C#CCCC[NH+]1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001273538585 844694248 /nfs/dbraw/zinc/69/42/48/844694248.db2.gz ZCKREMYGWWCTAM-UHFFFAOYSA-N 1 2 290.285 0.875 20 30 CCEDLO C#CC[NH2+]C1CC(CNC(=O)c2[nH]ncc2F)C1 ZINC001091215892 840141851 /nfs/dbraw/zinc/14/18/51/840141851.db2.gz OISJLPSQBMSNLI-UHFFFAOYSA-N 1 2 250.277 0.280 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001092138044 840996925 /nfs/dbraw/zinc/99/69/25/840996925.db2.gz SIGWUTDCSRKJGO-RISCZKNCSA-N 1 2 273.340 0.256 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccon1)c1nccn12 ZINC001092350176 841006886 /nfs/dbraw/zinc/00/68/86/841006886.db2.gz QBDUBQDXNPATGZ-LBPRGKRZSA-N 1 2 299.334 0.943 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]c1)c1nccn12 ZINC001092352279 841007500 /nfs/dbraw/zinc/00/75/00/841007500.db2.gz IKDAQYLMIFIOFZ-LBPRGKRZSA-N 1 2 298.350 0.678 20 30 CCEDLO CC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001186867107 844614225 /nfs/dbraw/zinc/61/42/25/844614225.db2.gz SVTKDPSZCOMWHI-FRRDWIJNSA-N 1 2 292.383 0.205 20 30 CCEDLO CC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001186867107 844614229 /nfs/dbraw/zinc/61/42/29/844614229.db2.gz SVTKDPSZCOMWHI-FRRDWIJNSA-N 1 2 292.383 0.205 20 30 CCEDLO Cc1nsc(NCCNC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001094150407 841550245 /nfs/dbraw/zinc/55/02/45/841550245.db2.gz DPMYEMPYTKKLLG-UHFFFAOYSA-N 1 2 290.352 0.817 20 30 CCEDLO C[C@H](CC(=O)NCCNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001094167597 841552585 /nfs/dbraw/zinc/55/25/85/841552585.db2.gz ITZPDNMKHLVRMV-LLVKDONJSA-N 1 2 299.338 0.724 20 30 CCEDLO C[C@H](CC(=O)NCCNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001094168160 841553155 /nfs/dbraw/zinc/55/31/55/841553155.db2.gz VTMTXHIYLNACOT-LLVKDONJSA-N 1 2 299.338 0.724 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001094406641 841637047 /nfs/dbraw/zinc/63/70/47/841637047.db2.gz GCSJWEFKWMSPIO-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 ZINC001094773157 841719906 /nfs/dbraw/zinc/71/99/06/841719906.db2.gz QJAKUPPUFFEEKH-MBNYWOFBSA-N 1 2 291.395 0.620 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)CC(C)C ZINC001176385850 842361754 /nfs/dbraw/zinc/36/17/54/842361754.db2.gz YFGASYUQXRJQIE-WCQYABFASA-N 1 2 291.355 0.511 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)CC(C)C ZINC001176385850 842361765 /nfs/dbraw/zinc/36/17/65/842361765.db2.gz YFGASYUQXRJQIE-WCQYABFASA-N 1 2 291.355 0.511 20 30 CCEDLO N#Cc1nc(N)c(NC(=O)CCn2cc[nH+]c2)nc1C#N ZINC001176873207 842433093 /nfs/dbraw/zinc/43/30/93/842433093.db2.gz ANZPGTIGRPDYPX-UHFFFAOYSA-N 1 2 282.267 0.027 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC=C)C[C@@H]21 ZINC001176949697 842466085 /nfs/dbraw/zinc/46/60/85/842466085.db2.gz RHFRDODTHKHBEU-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC=C)C[C@@H]21 ZINC001176949697 842466090 /nfs/dbraw/zinc/46/60/90/842466090.db2.gz RHFRDODTHKHBEU-LSDHHAIUSA-N 1 2 292.379 0.514 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019803 842485713 /nfs/dbraw/zinc/48/57/13/842485713.db2.gz SAGRARQKJCEGPR-JKSUJKDBSA-N 1 2 288.391 0.971 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177019803 842485715 /nfs/dbraw/zinc/48/57/15/842485715.db2.gz SAGRARQKJCEGPR-JKSUJKDBSA-N 1 2 288.391 0.971 20 30 CCEDLO COc1ccc(C(=NC(=O)[C@@H](C)n2cc[nH+]c2)NO)nc1 ZINC001177927227 842715607 /nfs/dbraw/zinc/71/56/07/842715607.db2.gz QUYJURFDVMDYOB-SECBINFHSA-N 1 2 289.295 0.800 20 30 CCEDLO C=C[C@H]1C[C@]1(NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC001177998729 842722805 /nfs/dbraw/zinc/72/28/05/842722805.db2.gz ZGFLCPMSEOUQPG-IINYFYTJSA-N 1 2 277.324 0.966 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119803 842763968 /nfs/dbraw/zinc/76/39/68/842763968.db2.gz WNZXPDRWXFFBBX-ZJUUUORDSA-N 1 2 276.296 0.017 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2O)CC1 ZINC001181080240 843405255 /nfs/dbraw/zinc/40/52/55/843405255.db2.gz CESONLBCHUCVOA-QWHCGFSZSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(C)=O)C2 ZINC001110304037 843827039 /nfs/dbraw/zinc/82/70/39/843827039.db2.gz JUKHISNBEZEKTJ-UPJWGTAASA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(C)=O)C2 ZINC001110304037 843827049 /nfs/dbraw/zinc/82/70/49/843827049.db2.gz JUKHISNBEZEKTJ-UPJWGTAASA-N 1 2 299.802 0.939 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394398 844736501 /nfs/dbraw/zinc/73/65/01/844736501.db2.gz ADZDULYZZBXKMT-LPWJVIDDSA-N 1 2 292.383 0.392 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394398 844736504 /nfs/dbraw/zinc/73/65/04/844736504.db2.gz ADZDULYZZBXKMT-LPWJVIDDSA-N 1 2 292.383 0.392 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(=O)OC)cc1 ZINC001188727558 844963301 /nfs/dbraw/zinc/96/33/01/844963301.db2.gz DRGCFFIPVSHSRG-AWEZNQCLSA-N 1 2 286.331 0.597 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(=O)OC)cc1 ZINC001188727558 844963305 /nfs/dbraw/zinc/96/33/05/844963305.db2.gz DRGCFFIPVSHSRG-AWEZNQCLSA-N 1 2 286.331 0.597 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190467820 845407675 /nfs/dbraw/zinc/40/76/75/845407675.db2.gz ZMOHXONBDXSOTP-UONOGXRCSA-N 1 2 287.367 0.720 20 30 CCEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192632182 845889899 /nfs/dbraw/zinc/88/98/99/845889899.db2.gz DFKYZRYEZDLUOP-GHMZBOCLSA-N 1 2 298.774 0.256 20 30 CCEDLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192762241 845903167 /nfs/dbraw/zinc/90/31/67/845903167.db2.gz SQELWLATYDPXTQ-ZIAGYGMSSA-N 1 2 291.351 0.304 20 30 CCEDLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192762241 845903174 /nfs/dbraw/zinc/90/31/74/845903174.db2.gz SQELWLATYDPXTQ-ZIAGYGMSSA-N 1 2 291.351 0.304 20 30 CCEDLO N#CCS(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001193001501 845951309 /nfs/dbraw/zinc/95/13/09/845951309.db2.gz QKPGNXKWAKNEGI-UHFFFAOYSA-N 1 2 254.315 0.236 20 30 CCEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122508 845987434 /nfs/dbraw/zinc/98/74/34/845987434.db2.gz LUUZDZYGXWTXCX-HLTSFMKQSA-N 1 2 284.253 0.624 20 30 CCEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122508 845987440 /nfs/dbraw/zinc/98/74/40/845987440.db2.gz LUUZDZYGXWTXCX-HLTSFMKQSA-N 1 2 284.253 0.624 20 30 CCEDLO CC(C)n1c[nH+]cc1CNS(=O)(=O)[C@H](C)C#N ZINC001193178268 846007641 /nfs/dbraw/zinc/00/76/41/846007641.db2.gz GKECOQFDIDHHOA-SECBINFHSA-N 1 2 256.331 0.795 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193195299 846015448 /nfs/dbraw/zinc/01/54/48/846015448.db2.gz YVHAIOVPSLCKQN-SECBINFHSA-N 1 2 264.310 0.666 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC001193198143 846015530 /nfs/dbraw/zinc/01/55/30/846015530.db2.gz GNVUEJYRTLZVQH-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC001193198143 846015536 /nfs/dbraw/zinc/01/55/36/846015536.db2.gz GNVUEJYRTLZVQH-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO N#Cc1cncc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001194112008 846215525 /nfs/dbraw/zinc/21/55/25/846215525.db2.gz FGRDVLPIYMTOKW-GFCCVEGCSA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1cncc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001194112008 846215533 /nfs/dbraw/zinc/21/55/33/846215533.db2.gz FGRDVLPIYMTOKW-GFCCVEGCSA-N 1 2 271.280 0.010 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194898178 846412704 /nfs/dbraw/zinc/41/27/04/846412704.db2.gz RQEQMABEMHZFJD-ZIAGYGMSSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194898178 846412709 /nfs/dbraw/zinc/41/27/09/846412709.db2.gz RQEQMABEMHZFJD-ZIAGYGMSSA-N 1 2 293.411 0.705 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc[nH]n2)CC1 ZINC001194889039 846420187 /nfs/dbraw/zinc/42/01/87/846420187.db2.gz FCMUFBDJTQNOCS-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc[nH]n2)CC1 ZINC001194889039 846420192 /nfs/dbraw/zinc/42/01/92/846420192.db2.gz FCMUFBDJTQNOCS-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC001194889039 846420195 /nfs/dbraw/zinc/42/01/95/846420195.db2.gz FCMUFBDJTQNOCS-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC001194889039 846420200 /nfs/dbraw/zinc/42/02/00/846420200.db2.gz FCMUFBDJTQNOCS-UHFFFAOYSA-N 1 2 276.340 0.207 20 30 CCEDLO CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001273695619 846495663 /nfs/dbraw/zinc/49/56/63/846495663.db2.gz GNJFAFOKHIXABO-ZIAGYGMSSA-N 1 2 294.395 0.640 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195314059 846504400 /nfs/dbraw/zinc/50/44/00/846504400.db2.gz GZQJSCTVMNTRTK-LBPRGKRZSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC001195314059 846504409 /nfs/dbraw/zinc/50/44/09/846504409.db2.gz GZQJSCTVMNTRTK-LBPRGKRZSA-N 1 2 280.372 0.205 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2n[nH]cc2C)CC1 ZINC001195746736 846619447 /nfs/dbraw/zinc/61/94/47/846619447.db2.gz FOHHUXODXOJOAO-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2n[nH]cc2C)CC1 ZINC001195746736 846619453 /nfs/dbraw/zinc/61/94/53/846619453.db2.gz FOHHUXODXOJOAO-UHFFFAOYSA-N 1 2 290.367 0.516 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001195841720 846638608 /nfs/dbraw/zinc/63/86/08/846638608.db2.gz CMSYPKZHIPGZDS-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001195841720 846638615 /nfs/dbraw/zinc/63/86/15/846638615.db2.gz CMSYPKZHIPGZDS-ZIAGYGMSSA-N 1 2 292.379 0.154 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196009693 846665769 /nfs/dbraw/zinc/66/57/69/846665769.db2.gz DGVWSPVWVNMFQB-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196009693 846665775 /nfs/dbraw/zinc/66/57/75/846665775.db2.gz DGVWSPVWVNMFQB-LBPRGKRZSA-N 1 2 267.373 0.751 20 30 CCEDLO Cc1[nH]c(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251003797 846778241 /nfs/dbraw/zinc/77/82/41/846778241.db2.gz PGAYEUZFIVZQBH-GFCCVEGCSA-N 1 2 278.356 0.608 20 30 CCEDLO CSc1[nH]nc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251007602 846781985 /nfs/dbraw/zinc/78/19/85/846781985.db2.gz WZEVXNBVLQRKSW-VIFPVBQESA-N 1 2 297.384 0.108 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2csnn2)CC1 ZINC001196674562 846786219 /nfs/dbraw/zinc/78/62/19/846786219.db2.gz XUCFMELDGAKVOJ-UHFFFAOYSA-N 1 2 294.380 0.336 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2csnn2)CC1 ZINC001196674562 846786223 /nfs/dbraw/zinc/78/62/23/846786223.db2.gz XUCFMELDGAKVOJ-UHFFFAOYSA-N 1 2 294.380 0.336 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196855267 846810618 /nfs/dbraw/zinc/81/06/18/846810618.db2.gz ZRYGXRFQQWCLSS-NWDGAFQWSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196855267 846810625 /nfs/dbraw/zinc/81/06/25/846810625.db2.gz ZRYGXRFQQWCLSS-NWDGAFQWSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196855269 846811026 /nfs/dbraw/zinc/81/10/26/846811026.db2.gz ZRYGXRFQQWCLSS-VXGBXAGGSA-N 1 2 267.373 0.464 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196855269 846811031 /nfs/dbraw/zinc/81/10/31/846811031.db2.gz ZRYGXRFQQWCLSS-VXGBXAGGSA-N 1 2 267.373 0.464 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001197244591 846887365 /nfs/dbraw/zinc/88/73/65/846887365.db2.gz XXDGTPMSGSBBDR-RRFJBIMHSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001197244591 846887372 /nfs/dbraw/zinc/88/73/72/846887372.db2.gz XXDGTPMSGSBBDR-RRFJBIMHSA-N 1 2 296.411 0.480 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197255365 846888021 /nfs/dbraw/zinc/88/80/21/846888021.db2.gz SHVMAZLZKJGDPN-CYBMUJFWSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197255365 846888028 /nfs/dbraw/zinc/88/80/28/846888028.db2.gz SHVMAZLZKJGDPN-CYBMUJFWSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001152370961 847006514 /nfs/dbraw/zinc/00/65/14/847006514.db2.gz VTVZVVNOSFJCCZ-LLVKDONJSA-N 1 2 296.371 0.907 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001152370961 847006516 /nfs/dbraw/zinc/00/65/16/847006516.db2.gz VTVZVVNOSFJCCZ-LLVKDONJSA-N 1 2 296.371 0.907 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001198343486 847090616 /nfs/dbraw/zinc/09/06/16/847090616.db2.gz KZZCFWXKXCWKPL-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001198343486 847090621 /nfs/dbraw/zinc/09/06/21/847090621.db2.gz KZZCFWXKXCWKPL-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001251821528 847132414 /nfs/dbraw/zinc/13/24/14/847132414.db2.gz QUBSROUGAIOGPR-LBPRGKRZSA-N 1 2 269.341 0.463 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001199337474 847290411 /nfs/dbraw/zinc/29/04/11/847290411.db2.gz VOKQHFLXSHYHQM-RRFJBIMHSA-N 1 2 296.411 0.622 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001199337474 847290417 /nfs/dbraw/zinc/29/04/17/847290417.db2.gz VOKQHFLXSHYHQM-RRFJBIMHSA-N 1 2 296.411 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001199514576 847350126 /nfs/dbraw/zinc/35/01/26/847350126.db2.gz FWYHKHNPHIAXOA-ZIAGYGMSSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001199514576 847350135 /nfs/dbraw/zinc/35/01/35/847350135.db2.gz FWYHKHNPHIAXOA-ZIAGYGMSSA-N 1 2 276.380 0.917 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)c2cnc(C#N)cn2)[nH+]1 ZINC001199668278 847392230 /nfs/dbraw/zinc/39/22/30/847392230.db2.gz QKDKFKWDSSQHSR-UHFFFAOYSA-N 1 2 256.269 0.352 20 30 CCEDLO C=CCNC(=S)NCc1c[nH+]cn1CCOC ZINC001200296773 847601272 /nfs/dbraw/zinc/60/12/72/847601272.db2.gz NRAKHANDHAUGOQ-UHFFFAOYSA-N 1 2 254.359 0.680 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273891023 847753298 /nfs/dbraw/zinc/75/32/98/847753298.db2.gz HIJGMHKJPWLFKD-FPMFFAJLSA-N 1 2 286.322 0.211 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@H](O)C(C)C)C[C@@]2(F)C1=O ZINC001273891023 847753303 /nfs/dbraw/zinc/75/33/03/847753303.db2.gz HIJGMHKJPWLFKD-FPMFFAJLSA-N 1 2 286.322 0.211 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273950962 847921200 /nfs/dbraw/zinc/92/12/00/847921200.db2.gz MPYQALRRWICGJX-OAHLLOKOSA-N 1 2 280.368 0.702 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273950962 847921212 /nfs/dbraw/zinc/92/12/12/847921212.db2.gz MPYQALRRWICGJX-OAHLLOKOSA-N 1 2 280.368 0.702 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001153097107 847926407 /nfs/dbraw/zinc/92/64/07/847926407.db2.gz BBONMESNTRQTJF-LLVKDONJSA-N 1 2 296.371 0.990 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001153148159 847933923 /nfs/dbraw/zinc/93/39/23/847933923.db2.gz ABXWNPXUKJQQHE-GHMZBOCLSA-N 1 2 296.371 0.990 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1csnn1 ZINC001273991154 848214173 /nfs/dbraw/zinc/21/41/73/848214173.db2.gz OEUVTKDVDLVCQT-DSYXLKISSA-N 1 2 296.396 0.627 20 30 CCEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354508 848457041 /nfs/dbraw/zinc/45/70/41/848457041.db2.gz LMPMFTMOHAKSMJ-CQSZACIVSA-N 1 2 289.339 0.332 20 30 CCEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354508 848457053 /nfs/dbraw/zinc/45/70/53/848457053.db2.gz LMPMFTMOHAKSMJ-CQSZACIVSA-N 1 2 289.339 0.332 20 30 CCEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3nc[nH]n3)C2)C1=O ZINC001274354508 848457068 /nfs/dbraw/zinc/45/70/68/848457068.db2.gz LMPMFTMOHAKSMJ-CQSZACIVSA-N 1 2 289.339 0.332 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CCC)OC)CC2)C1 ZINC001274474086 848486759 /nfs/dbraw/zinc/48/67/59/848486759.db2.gz BBWUEPLTOBQUMY-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001275690608 848792431 /nfs/dbraw/zinc/79/24/31/848792431.db2.gz VMESBFLGKBRODY-LLVKDONJSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001275690608 848792425 /nfs/dbraw/zinc/79/24/25/848792425.db2.gz VMESBFLGKBRODY-LLVKDONJSA-N 1 2 286.397 0.023 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110898503 849017365 /nfs/dbraw/zinc/01/73/65/849017365.db2.gz IFTDGQBQCVQNDJ-XQHKEYJVSA-N 1 2 297.374 0.758 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110898503 849017373 /nfs/dbraw/zinc/01/73/73/849017373.db2.gz IFTDGQBQCVQNDJ-XQHKEYJVSA-N 1 2 297.374 0.758 20 30 CCEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1CO ZINC000687596616 849120911 /nfs/dbraw/zinc/12/09/11/849120911.db2.gz CMDGILHBZGQBJI-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1CO ZINC000687596616 849120905 /nfs/dbraw/zinc/12/09/05/849120905.db2.gz CMDGILHBZGQBJI-SSDOTTSWSA-N 1 2 272.761 0.781 20 30 CCEDLO C=C[C@H](O)C[N@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001253581938 849554525 /nfs/dbraw/zinc/55/45/25/849554525.db2.gz LDOIHYZEFJDNLG-MELADBBJSA-N 1 2 252.358 0.328 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001253581938 849554537 /nfs/dbraw/zinc/55/45/37/849554537.db2.gz LDOIHYZEFJDNLG-MELADBBJSA-N 1 2 252.358 0.328 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038631570 849740731 /nfs/dbraw/zinc/74/07/31/849740731.db2.gz LCNDLVVBOLIIFF-WCQYABFASA-N 1 2 288.351 0.699 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038631570 849740738 /nfs/dbraw/zinc/74/07/38/849740738.db2.gz LCNDLVVBOLIIFF-WCQYABFASA-N 1 2 288.351 0.699 20 30 CCEDLO C#CCCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC=C)C1 ZINC001276377189 849796929 /nfs/dbraw/zinc/79/69/29/849796929.db2.gz TWMBMTZUZDKYHS-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC001038292310 849842867 /nfs/dbraw/zinc/84/28/67/849842867.db2.gz BFQLFFLGQPQSGQ-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC001038292310 849842873 /nfs/dbraw/zinc/84/28/73/849842873.db2.gz BFQLFFLGQPQSGQ-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038335526 849854695 /nfs/dbraw/zinc/85/46/95/849854695.db2.gz MRLOQIYRQVHJTB-SECBINFHSA-N 1 2 266.732 0.809 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038335526 849854702 /nfs/dbraw/zinc/85/47/02/849854702.db2.gz MRLOQIYRQVHJTB-SECBINFHSA-N 1 2 266.732 0.809 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001038559223 849943171 /nfs/dbraw/zinc/94/31/71/849943171.db2.gz WPTMKJUCLXLQMY-VXGBXAGGSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001038559223 849943181 /nfs/dbraw/zinc/94/31/81/849943181.db2.gz WPTMKJUCLXLQMY-VXGBXAGGSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038756444 850006032 /nfs/dbraw/zinc/00/60/32/850006032.db2.gz DKMORQMFBREBQZ-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038756444 850006037 /nfs/dbraw/zinc/00/60/37/850006037.db2.gz DKMORQMFBREBQZ-SNVBAGLBSA-N 1 2 280.759 0.819 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038761038 850006776 /nfs/dbraw/zinc/00/67/76/850006776.db2.gz JQIYOUKFPGMTKT-HIFRSBDPSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038761038 850006785 /nfs/dbraw/zinc/00/67/85/850006785.db2.gz JQIYOUKFPGMTKT-HIFRSBDPSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC=C)nn1 ZINC001038789996 850016125 /nfs/dbraw/zinc/01/61/25/850016125.db2.gz NINXRJFRGCBMLG-LBPRGKRZSA-N 1 2 273.340 0.292 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC=C)nn1 ZINC001038789996 850016114 /nfs/dbraw/zinc/01/61/14/850016114.db2.gz NINXRJFRGCBMLG-LBPRGKRZSA-N 1 2 273.340 0.292 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001038857933 850052971 /nfs/dbraw/zinc/05/29/71/850052971.db2.gz AIQHYNQECJAIRJ-VXGBXAGGSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001038857933 850052977 /nfs/dbraw/zinc/05/29/77/850052977.db2.gz AIQHYNQECJAIRJ-VXGBXAGGSA-N 1 2 286.379 0.972 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)cn1 ZINC001038933088 850091531 /nfs/dbraw/zinc/09/15/31/850091531.db2.gz RYYOTJRWTYQGGT-HNNXBMFYSA-N 1 2 267.332 0.890 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)cn1 ZINC001038933088 850091536 /nfs/dbraw/zinc/09/15/36/850091536.db2.gz RYYOTJRWTYQGGT-HNNXBMFYSA-N 1 2 267.332 0.890 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001038943890 850097368 /nfs/dbraw/zinc/09/73/68/850097368.db2.gz YOZKFFXZXNZZPU-CYBMUJFWSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001038943890 850097380 /nfs/dbraw/zinc/09/73/80/850097380.db2.gz YOZKFFXZXNZZPU-CYBMUJFWSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC(N)=O)cc1 ZINC001038998394 850113496 /nfs/dbraw/zinc/11/34/96/850113496.db2.gz WPCYXAXRWPFNPP-ZDUSSCGKSA-N 1 2 286.335 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(N)=O)cc1 ZINC001038998394 850113500 /nfs/dbraw/zinc/11/35/00/850113500.db2.gz WPCYXAXRWPFNPP-ZDUSSCGKSA-N 1 2 286.335 0.615 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039012047 850119718 /nfs/dbraw/zinc/11/97/18/850119718.db2.gz JOKKILBOSWPHHL-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001039012047 850119720 /nfs/dbraw/zinc/11/97/20/850119720.db2.gz JOKKILBOSWPHHL-GFCCVEGCSA-N 1 2 283.335 0.785 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246463 850602530 /nfs/dbraw/zinc/60/25/30/850602530.db2.gz FMRBZVVWLDQSKB-DGCLKSJQSA-N 1 2 273.340 0.399 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC001042706012 850740703 /nfs/dbraw/zinc/74/07/03/850740703.db2.gz UHKVQSZVPLOOST-UHFFFAOYSA-N 1 2 260.341 0.508 20 30 CCEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001042928166 850783080 /nfs/dbraw/zinc/78/30/80/850783080.db2.gz WIIZXEVTUQSJPY-UHFFFAOYSA-N 1 2 277.368 0.813 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001043260696 850844936 /nfs/dbraw/zinc/84/49/36/850844936.db2.gz QGWQRXVKTMPJHT-NSHDSACASA-N 1 2 280.372 0.106 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001043438524 850872506 /nfs/dbraw/zinc/87/25/06/850872506.db2.gz ZDTHVUFWNGLSDW-GFCCVEGCSA-N 1 2 289.383 0.478 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C(N)=O)c2)C1 ZINC001043459648 850875919 /nfs/dbraw/zinc/87/59/19/850875919.db2.gz WCSVWNAEFQISRJ-UHFFFAOYSA-N 1 2 275.308 0.158 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001043496345 850881713 /nfs/dbraw/zinc/88/17/13/850881713.db2.gz MREWLULQTMIZHI-UHFFFAOYSA-N 1 2 276.384 0.908 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001043834435 850946290 /nfs/dbraw/zinc/94/62/90/850946290.db2.gz LPLNHNZQKJGFJY-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001043912507 850963211 /nfs/dbraw/zinc/96/32/11/850963211.db2.gz IEMZTHGGOVSEPK-CHWSQXEVSA-N 1 2 274.368 0.852 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001044178252 851032541 /nfs/dbraw/zinc/03/25/41/851032541.db2.gz IUBXEGHDMSNUEE-NSHDSACASA-N 1 2 287.367 0.076 20 30 CCEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001044201288 851039612 /nfs/dbraw/zinc/03/96/12/851039612.db2.gz BOXUPSUPHHOYAN-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001044284569 851062786 /nfs/dbraw/zinc/06/27/86/851062786.db2.gz LCVQXVDAJAKWIC-UHFFFAOYSA-N 1 2 290.367 0.596 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001044311502 851073143 /nfs/dbraw/zinc/07/31/43/851073143.db2.gz RXBTWJRDGTYVOV-CQSZACIVSA-N 1 2 293.411 0.962 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876690 851172341 /nfs/dbraw/zinc/17/23/41/851172341.db2.gz BQVOCJWQXZOZLH-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)C#N)o1 ZINC001044962713 851194202 /nfs/dbraw/zinc/19/42/02/851194202.db2.gz PBRLHFPCUHXHRJ-KOLCDFICSA-N 1 2 277.328 0.618 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001045995822 851343324 /nfs/dbraw/zinc/34/33/24/851343324.db2.gz STKDFUBILPAHME-HNNXBMFYSA-N 1 2 299.378 0.437 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC001046029825 851356988 /nfs/dbraw/zinc/35/69/88/851356988.db2.gz CFLZVCNQPRJJBZ-AWEZNQCLSA-N 1 2 287.367 0.370 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047270229 851686457 /nfs/dbraw/zinc/68/64/57/851686457.db2.gz YMNGZLPJOUNAPV-GJZGRUSLSA-N 1 2 273.336 0.582 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047270229 851686463 /nfs/dbraw/zinc/68/64/63/851686463.db2.gz YMNGZLPJOUNAPV-GJZGRUSLSA-N 1 2 273.336 0.582 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC001047456176 851770732 /nfs/dbraw/zinc/77/07/32/851770732.db2.gz MGZFISCXWHBFAM-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC001047456176 851770738 /nfs/dbraw/zinc/77/07/38/851770738.db2.gz MGZFISCXWHBFAM-KBPBESRZSA-N 1 2 298.346 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001047577348 851823551 /nfs/dbraw/zinc/82/35/51/851823551.db2.gz ILZLUMYIVXLQAP-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001047577348 851823559 /nfs/dbraw/zinc/82/35/59/851823559.db2.gz ILZLUMYIVXLQAP-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049107049 852165721 /nfs/dbraw/zinc/16/57/21/852165721.db2.gz SILFORPRSYZYMM-UPJWGTAASA-N 1 2 287.367 0.502 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049107049 852165724 /nfs/dbraw/zinc/16/57/24/852165724.db2.gz SILFORPRSYZYMM-UPJWGTAASA-N 1 2 287.367 0.502 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049516572 852299743 /nfs/dbraw/zinc/29/97/43/852299743.db2.gz DFIOFYZAUATLQC-KGLIPLIRSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049516572 852299752 /nfs/dbraw/zinc/29/97/52/852299752.db2.gz DFIOFYZAUATLQC-KGLIPLIRSA-N 1 2 287.367 0.931 20 30 CCEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CS(=O)(=O)C1)C2 ZINC001097377319 852532082 /nfs/dbraw/zinc/53/20/82/852532082.db2.gz VYBKQGDLVJKPKF-UPJWGTAASA-N 1 2 298.408 0.329 20 30 CCEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CS(=O)(=O)C1)C2 ZINC001097377319 852532087 /nfs/dbraw/zinc/53/20/87/852532087.db2.gz VYBKQGDLVJKPKF-UPJWGTAASA-N 1 2 298.408 0.329 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 ZINC001053200444 852708119 /nfs/dbraw/zinc/70/81/19/852708119.db2.gz FLCAYXRLFKJFPZ-UHFFFAOYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCOC1)O2 ZINC001053581630 852766361 /nfs/dbraw/zinc/76/63/61/852766361.db2.gz SEIUCUJFNPWOLP-KGLIPLIRSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C)[nH]1)O2 ZINC001053583463 852766489 /nfs/dbraw/zinc/76/64/89/852766489.db2.gz AYMQWNUHVMRGCH-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCOC1)CO2 ZINC001053762658 852811219 /nfs/dbraw/zinc/81/12/19/852811219.db2.gz DVIGYSNCMSLXHU-UONOGXRCSA-N 1 2 292.379 0.396 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)cn1)CO2 ZINC001053775615 852816903 /nfs/dbraw/zinc/81/69/03/852816903.db2.gz BWKMWGWELUMUCA-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053805796 852826195 /nfs/dbraw/zinc/82/61/95/852826195.db2.gz XNZMJDYHHCDYAY-MCIONIFRSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(F)CCOC1)CO2 ZINC001053906401 852843631 /nfs/dbraw/zinc/84/36/31/852843631.db2.gz ZBRXUXDLPVVQDE-DOMZBBRYSA-N 1 2 298.358 0.651 20 30 CCEDLO C=C1CCC(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001053914795 852845212 /nfs/dbraw/zinc/84/52/12/852845212.db2.gz UKKGVZSLGYJRNT-CQSZACIVSA-N 1 2 294.395 0.685 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnnc1)CO2 ZINC001053936421 852851109 /nfs/dbraw/zinc/85/11/09/852851109.db2.gz LCIUCUSDVPXENJ-CYBMUJFWSA-N 1 2 286.335 0.073 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)cn1 ZINC001053984647 852864645 /nfs/dbraw/zinc/86/46/45/852864645.db2.gz CBWNPYOIDXAZHS-CQSZACIVSA-N 1 2 285.347 0.656 20 30 CCEDLO C=CCN1CC2(C1)C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)CO2 ZINC001053993786 852864753 /nfs/dbraw/zinc/86/47/53/852864753.db2.gz URHLFUXSWKSDSV-LBPRGKRZSA-N 1 2 290.367 0.406 20 30 CCEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249296 852897650 /nfs/dbraw/zinc/89/76/50/852897650.db2.gz RCJBJRNZVVMSJT-HNNXBMFYSA-N 1 2 287.367 0.721 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnccn1 ZINC001050802874 853439464 /nfs/dbraw/zinc/43/94/64/853439464.db2.gz RYIWBIRBFYOSQN-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnccn1 ZINC001050802874 853439467 /nfs/dbraw/zinc/43/94/67/853439467.db2.gz RYIWBIRBFYOSQN-GFCCVEGCSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001050827124 853449318 /nfs/dbraw/zinc/44/93/18/853449318.db2.gz DIWLVCMCXBBRHU-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001050827124 853449322 /nfs/dbraw/zinc/44/93/22/853449322.db2.gz DIWLVCMCXBBRHU-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001050830998 853452132 /nfs/dbraw/zinc/45/21/32/853452132.db2.gz RCLDKRCUUSHXRG-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001050830998 853452137 /nfs/dbraw/zinc/45/21/37/853452137.db2.gz RCLDKRCUUSHXRG-UONOGXRCSA-N 1 2 298.383 0.185 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3)C2)CC1 ZINC001051971540 853668483 /nfs/dbraw/zinc/66/84/83/853668483.db2.gz VOVWVGZAGSODIQ-OAHLLOKOSA-N 1 2 299.378 0.437 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051989209 853670223 /nfs/dbraw/zinc/67/02/23/853670223.db2.gz DUSFLITZBLWJJM-CYBMUJFWSA-N 1 2 290.367 0.693 20 30 CCEDLO CC[C@H](OC)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051995391 853671298 /nfs/dbraw/zinc/67/12/98/853671298.db2.gz DBMJHSCYGKYFBF-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](F)C(C)C)C2)CC1 ZINC001052067449 853682383 /nfs/dbraw/zinc/68/23/83/853682383.db2.gz JYXWYBZDWYBLTE-LSDHHAIUSA-N 1 2 295.402 0.832 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058937 853882901 /nfs/dbraw/zinc/88/29/01/853882901.db2.gz GRFMTGAZWQQHMU-LLVKDONJSA-N 1 2 276.340 0.742 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCc2nc(N)nc(N)n2)ccc1F ZINC000148939503 853972035 /nfs/dbraw/zinc/97/20/35/853972035.db2.gz VTNHBUHAQSLRLC-UHFFFAOYSA-N 1 2 291.290 0.321 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001074181688 854690159 /nfs/dbraw/zinc/69/01/59/854690159.db2.gz YKMGVBHNCOZAEI-ZIAGYGMSSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001074181688 854690162 /nfs/dbraw/zinc/69/01/62/854690162.db2.gz YKMGVBHNCOZAEI-ZIAGYGMSSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001074181688 854690171 /nfs/dbraw/zinc/69/01/71/854690171.db2.gz YKMGVBHNCOZAEI-ZIAGYGMSSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001074181688 854690178 /nfs/dbraw/zinc/69/01/78/854690178.db2.gz YKMGVBHNCOZAEI-ZIAGYGMSSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001074418994 854727536 /nfs/dbraw/zinc/72/75/36/854727536.db2.gz CWTBYXFJDJIVHI-KGLIPLIRSA-N 1 2 290.367 0.371 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001098285746 854855422 /nfs/dbraw/zinc/85/54/22/854855422.db2.gz MCPLNYDVEBZWEC-RTXFEEFZSA-N 1 2 273.340 0.506 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001099404752 854933032 /nfs/dbraw/zinc/93/30/32/854933032.db2.gz IRFXPDKOLDCYFG-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccncc1C#N ZINC001100250543 855129216 /nfs/dbraw/zinc/12/92/16/855129216.db2.gz HHVQPVIYRUMJJS-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001100354267 855154567 /nfs/dbraw/zinc/15/45/67/855154567.db2.gz SSUDJGNJGVTRDO-UHFFFAOYSA-N 1 2 284.323 0.471 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1cnc(C#N)cn1 ZINC001100589525 855194257 /nfs/dbraw/zinc/19/42/57/855194257.db2.gz CCZYEASPSHUWJF-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001103117511 855497978 /nfs/dbraw/zinc/49/79/78/855497978.db2.gz JNOTVCTZPWNROB-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001115766610 855695225 /nfs/dbraw/zinc/69/52/25/855695225.db2.gz LUXKXLMCKYNDQF-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO C=CC1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC001117054166 855900235 /nfs/dbraw/zinc/90/02/35/855900235.db2.gz OAEPJCZVJRVAHM-GFCCVEGCSA-N 1 2 290.367 0.812 20 30 CCEDLO C=CCn1cc(CNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001118154598 856179261 /nfs/dbraw/zinc/17/92/61/856179261.db2.gz ZJFABLOYENCJMO-UHFFFAOYSA-N 1 2 260.301 0.436 20 30 CCEDLO CC(C)(CC[NH3+])NC(=O)CCNC(O)=C1N=CC=CC1=O ZINC001118285065 856243701 /nfs/dbraw/zinc/24/37/01/856243701.db2.gz SCVBJQCTUSNVBX-SEYXRHQNSA-N 1 2 294.355 0.147 20 30 CCEDLO CO[C@H](C[NH+]1CC(O)(CC#N)C1)C1CCOCC1 ZINC001119245343 856596233 /nfs/dbraw/zinc/59/62/33/856596233.db2.gz PJHISFSQSDVZFG-GFCCVEGCSA-N 1 2 254.330 0.388 20 30 CCEDLO C#CCC1([NH2+]Cc2noc(CCOC)n2)CCOCC1 ZINC001119442049 856688315 /nfs/dbraw/zinc/68/83/15/856688315.db2.gz LOEMUBCOYAIWRF-UHFFFAOYSA-N 1 2 279.340 0.921 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001119675947 856831245 /nfs/dbraw/zinc/83/12/45/856831245.db2.gz AWOOVPPAVCIYRY-STQMWFEESA-N 1 2 288.351 0.402 20 30 CCEDLO C#CC[N@H+](CCS(=O)(=O)CCC(N)=O)C(C)(C)C ZINC001119923776 856924080 /nfs/dbraw/zinc/92/40/80/856924080.db2.gz ORLVBQRVZLRLFO-UHFFFAOYSA-N 1 2 274.386 0.010 20 30 CCEDLO C#CC[N@@H+](CCS(=O)(=O)CCC(N)=O)C(C)(C)C ZINC001119923776 856924072 /nfs/dbraw/zinc/92/40/72/856924072.db2.gz ORLVBQRVZLRLFO-UHFFFAOYSA-N 1 2 274.386 0.010 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(COCC)CC1 ZINC001323263069 912232907 /nfs/dbraw/zinc/23/29/07/912232907.db2.gz QYOGFTTZDCFJCP-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(COCC)CC1 ZINC001323263069 912232921 /nfs/dbraw/zinc/23/29/21/912232921.db2.gz QYOGFTTZDCFJCP-GFCCVEGCSA-N 1 2 250.342 0.627 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)[nH]1 ZINC001392889281 912238019 /nfs/dbraw/zinc/23/80/19/912238019.db2.gz JZUJJNYIACUJJS-SNVBAGLBSA-N 1 2 290.371 0.826 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001323287677 912244046 /nfs/dbraw/zinc/24/40/46/912244046.db2.gz SWOAAUKJVJRBBE-LBPRGKRZSA-N 1 2 273.336 0.838 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001323287677 912244063 /nfs/dbraw/zinc/24/40/63/912244063.db2.gz SWOAAUKJVJRBBE-LBPRGKRZSA-N 1 2 273.336 0.838 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1(CC#N)CC1 ZINC001323298428 912252783 /nfs/dbraw/zinc/25/27/83/912252783.db2.gz MMOPYUBFJZZZMF-LLVKDONJSA-N 1 2 289.339 0.198 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COCCCOC)C1 ZINC001324004647 912625389 /nfs/dbraw/zinc/62/53/89/912625389.db2.gz OFDVWMUPFPTLGO-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CC#N)C1CC1 ZINC001481189589 892282560 /nfs/dbraw/zinc/28/25/60/892282560.db2.gz RGKSDLPQDITBNQ-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CC#N)C1CC1 ZINC001481189589 892282574 /nfs/dbraw/zinc/28/25/74/892282574.db2.gz RGKSDLPQDITBNQ-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO CCOc1nnc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)s1 ZINC001481214920 892364532 /nfs/dbraw/zinc/36/45/32/892364532.db2.gz CLYCTMSYDGVBPA-VIFPVBQESA-N 1 2 297.384 0.644 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421053556 892484563 /nfs/dbraw/zinc/48/45/63/892484563.db2.gz HYJHYVUVMKHEAF-UHFFFAOYSA-N 1 2 286.339 0.743 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1cnc(C#N)c(C#N)n1 ZINC001421053556 892484570 /nfs/dbraw/zinc/48/45/70/892484570.db2.gz HYJHYVUVMKHEAF-UHFFFAOYSA-N 1 2 286.339 0.743 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001481529257 892776411 /nfs/dbraw/zinc/77/64/11/892776411.db2.gz FRMLSHDUUNIVKR-CYBMUJFWSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001481529257 892776417 /nfs/dbraw/zinc/77/64/17/892776417.db2.gz FRMLSHDUUNIVKR-CYBMUJFWSA-N 1 2 288.351 0.321 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001481538145 892785085 /nfs/dbraw/zinc/78/50/85/892785085.db2.gz PAMBGXLRPMBXQQ-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCS(C)(=O)=O)C1 ZINC001481538145 892785092 /nfs/dbraw/zinc/78/50/92/892785092.db2.gz PAMBGXLRPMBXQQ-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)CCc2ccon2)C1 ZINC001481571670 892845814 /nfs/dbraw/zinc/84/58/14/892845814.db2.gz RLWMSCMEZFMRJF-UHFFFAOYSA-N 1 2 279.340 0.610 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC(C)(C)C)C1 ZINC001481612006 892900256 /nfs/dbraw/zinc/90/02/56/892900256.db2.gz KMEFFRCJWLWZBO-UHFFFAOYSA-N 1 2 279.384 0.220 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001481634709 892942215 /nfs/dbraw/zinc/94/22/15/892942215.db2.gz NDEPRDZMXJDNOL-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001481640156 892949914 /nfs/dbraw/zinc/94/99/14/892949914.db2.gz FGFOHYXOYASLBG-ZDUSSCGKSA-N 1 2 291.395 0.220 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cn2nccc2C)C1 ZINC001481648254 892964041 /nfs/dbraw/zinc/96/40/41/892964041.db2.gz OAPMJJIPWFWKOI-UHFFFAOYSA-N 1 2 282.775 0.992 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001481687683 893007578 /nfs/dbraw/zinc/00/75/78/893007578.db2.gz SGZDHDAXWHDBTJ-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001481687683 893007599 /nfs/dbraw/zinc/00/75/99/893007599.db2.gz SGZDHDAXWHDBTJ-OLZOCXBDSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001481687669 893010565 /nfs/dbraw/zinc/01/05/65/893010565.db2.gz ROYXDWJHZIWPJH-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001481687669 893010577 /nfs/dbraw/zinc/01/05/77/893010577.db2.gz ROYXDWJHZIWPJH-NSHDSACASA-N 1 2 292.339 0.089 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cncs1 ZINC001482581787 894284744 /nfs/dbraw/zinc/28/47/44/894284744.db2.gz AOZABGFUAFWRQU-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cncs1 ZINC001482581787 894284754 /nfs/dbraw/zinc/28/47/54/894284754.db2.gz AOZABGFUAFWRQU-UHFFFAOYSA-N 1 2 296.396 0.449 20 30 CCEDLO C=CC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001483043166 894828935 /nfs/dbraw/zinc/82/89/35/894828935.db2.gz GLUUFFGEYZPLNW-VOTSOKGWSA-N 1 2 278.360 0.184 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001409638888 895300355 /nfs/dbraw/zinc/30/03/55/895300355.db2.gz TYJGXOQQNUIBLZ-GWCFXTLKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001409638888 895300372 /nfs/dbraw/zinc/30/03/72/895300372.db2.gz TYJGXOQQNUIBLZ-GWCFXTLKSA-N 1 2 287.791 0.844 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)C#CC(C)C)n1 ZINC001507075948 895371947 /nfs/dbraw/zinc/37/19/47/895371947.db2.gz NDJYSPXXMXRANJ-NSHDSACASA-N 1 2 278.356 0.974 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(C(F)F)n1 ZINC001483655852 895803894 /nfs/dbraw/zinc/80/38/94/895803894.db2.gz UMEPIWJUPHNIRU-JTQLQIEISA-N 1 2 282.294 0.644 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc(C(F)F)n1 ZINC001483655852 895803903 /nfs/dbraw/zinc/80/39/03/895803903.db2.gz UMEPIWJUPHNIRU-JTQLQIEISA-N 1 2 282.294 0.644 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1cc(C)on1 ZINC001483661036 895817730 /nfs/dbraw/zinc/81/77/30/895817730.db2.gz WHAMJFVIDZGOFS-CQSZACIVSA-N 1 2 291.351 0.713 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1cc(C)on1 ZINC001483661036 895817744 /nfs/dbraw/zinc/81/77/44/895817744.db2.gz WHAMJFVIDZGOFS-CQSZACIVSA-N 1 2 291.351 0.713 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCCNC2=O)C1 ZINC001483678816 895839810 /nfs/dbraw/zinc/83/98/10/895839810.db2.gz CHTYIUCBRHASBY-STQMWFEESA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCCNC2=O)C1 ZINC001483678816 895839815 /nfs/dbraw/zinc/83/98/15/895839815.db2.gz CHTYIUCBRHASBY-STQMWFEESA-N 1 2 291.395 0.812 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001483681874 895844679 /nfs/dbraw/zinc/84/46/79/895844679.db2.gz MGVNSJGDMRRUOA-CHWSQXEVSA-N 1 2 262.353 0.627 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001483681874 895844685 /nfs/dbraw/zinc/84/46/85/895844685.db2.gz MGVNSJGDMRRUOA-CHWSQXEVSA-N 1 2 262.353 0.627 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001483691390 895863535 /nfs/dbraw/zinc/86/35/35/895863535.db2.gz GXBTVKIHRGWYHZ-DZGCQCFKSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001483691390 895863550 /nfs/dbraw/zinc/86/35/50/895863550.db2.gz GXBTVKIHRGWYHZ-DZGCQCFKSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001083715517 895971732 /nfs/dbraw/zinc/97/17/32/895971732.db2.gz PXZAIKVPDLBZKR-OLZOCXBDSA-N 1 2 275.352 0.546 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001083715517 895971743 /nfs/dbraw/zinc/97/17/43/895971743.db2.gz PXZAIKVPDLBZKR-OLZOCXBDSA-N 1 2 275.352 0.546 20 30 CCEDLO CC(C)COCC[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001483857847 896079787 /nfs/dbraw/zinc/07/97/87/896079787.db2.gz YZFONAKYPYXUNH-LBPRGKRZSA-N 1 2 267.373 0.961 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC001483871147 896094370 /nfs/dbraw/zinc/09/43/70/896094370.db2.gz DECPQZVGXZMRAJ-UHFFFAOYSA-N 1 2 290.367 0.744 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](CC(=C)C)NC(C)=O)C1 ZINC001483881684 896104459 /nfs/dbraw/zinc/10/44/59/896104459.db2.gz PDYOKNASKSRPQC-CQSZACIVSA-N 1 2 279.384 0.786 20 30 CCEDLO C=CCOCC(=O)N[C@]1(C)CC[N@@H+](Cc2cnnn2C)C1 ZINC001484036552 896165102 /nfs/dbraw/zinc/16/51/02/896165102.db2.gz GTJFICVFVKEUGD-CQSZACIVSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@]1(C)CC[N@H+](Cc2cnnn2C)C1 ZINC001484036552 896165104 /nfs/dbraw/zinc/16/51/04/896165104.db2.gz GTJFICVFVKEUGD-CQSZACIVSA-N 1 2 293.371 0.098 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001484045867 896168498 /nfs/dbraw/zinc/16/84/98/896168498.db2.gz XWJFRHCMDPACBH-NSHDSACASA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001484045867 896168506 /nfs/dbraw/zinc/16/85/06/896168506.db2.gz XWJFRHCMDPACBH-NSHDSACASA-N 1 2 284.751 0.006 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCC(C)(F)F)C1 ZINC001484279371 896313322 /nfs/dbraw/zinc/31/33/22/896313322.db2.gz FKIPFPZJXUIURS-UHFFFAOYSA-N 1 2 274.311 0.608 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001484296103 896322266 /nfs/dbraw/zinc/32/22/66/896322266.db2.gz NWZUHKXUIVOWKU-UHFFFAOYSA-N 1 2 290.338 0.934 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484354424 896352901 /nfs/dbraw/zinc/35/29/01/896352901.db2.gz YFBYMMDYBCPDJL-NEPJUHHUSA-N 1 2 275.356 0.313 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)Cc1cccnc1 ZINC001326629891 914065051 /nfs/dbraw/zinc/06/50/51/914065051.db2.gz WTJWLJDNBBHWGQ-OAHLLOKOSA-N 1 2 287.363 0.464 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cccnc1 ZINC001326629891 914065071 /nfs/dbraw/zinc/06/50/71/914065071.db2.gz WTJWLJDNBBHWGQ-OAHLLOKOSA-N 1 2 287.363 0.464 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001484599787 896489295 /nfs/dbraw/zinc/48/92/95/896489295.db2.gz CBJARPJFZDMHQX-CYBMUJFWSA-N 1 2 270.373 0.542 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001484599787 896489298 /nfs/dbraw/zinc/48/92/98/896489298.db2.gz CBJARPJFZDMHQX-CYBMUJFWSA-N 1 2 270.373 0.542 20 30 CCEDLO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1cnn[nH]1 ZINC001485194321 896855545 /nfs/dbraw/zinc/85/55/45/896855545.db2.gz OLYXLIONUBSPHR-ZJUUUORDSA-N 1 2 285.779 0.973 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)OC)C1 ZINC001485399466 897031413 /nfs/dbraw/zinc/03/14/13/897031413.db2.gz PPGSDYUXARSJLH-LLVKDONJSA-N 1 2 256.346 0.150 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2(C)CC2)C1 ZINC001485507424 897096905 /nfs/dbraw/zinc/09/69/05/897096905.db2.gz QCXAQLLPGZPGAO-LLVKDONJSA-N 1 2 279.384 0.525 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001326754702 914138302 /nfs/dbraw/zinc/13/83/02/914138302.db2.gz HSRXHJOBNJBWFQ-JOYOIKCWSA-N 1 2 250.302 0.633 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001326754702 914138312 /nfs/dbraw/zinc/13/83/12/914138312.db2.gz HSRXHJOBNJBWFQ-JOYOIKCWSA-N 1 2 250.302 0.633 20 30 CCEDLO CN(C(=O)CCc1[nH+]ccn1C)[C@@H](CNCC#N)C1CC1 ZINC001485819164 897288384 /nfs/dbraw/zinc/28/83/84/897288384.db2.gz FWKSVEAAQRESKX-ZDUSSCGKSA-N 1 2 289.383 0.703 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107820667 897326202 /nfs/dbraw/zinc/32/62/02/897326202.db2.gz ARQUYGVXNNCDJL-OCCSQVGLSA-N 1 2 263.341 0.376 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107820667 897326215 /nfs/dbraw/zinc/32/62/15/897326215.db2.gz ARQUYGVXNNCDJL-OCCSQVGLSA-N 1 2 263.341 0.376 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001107848609 897349979 /nfs/dbraw/zinc/34/99/79/897349979.db2.gz RQFWNMDBQDYWBO-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001107848609 897349994 /nfs/dbraw/zinc/34/99/94/897349994.db2.gz RQFWNMDBQDYWBO-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncnc2)C1 ZINC001107888725 897440139 /nfs/dbraw/zinc/44/01/39/897440139.db2.gz WFAKZKFEOZXEFL-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncnc2)C1 ZINC001107888725 897440148 /nfs/dbraw/zinc/44/01/48/897440148.db2.gz WFAKZKFEOZXEFL-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107899065 897466676 /nfs/dbraw/zinc/46/66/76/897466676.db2.gz BCFSGDWXWIEPSC-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCOCC1 ZINC001326781322 914164926 /nfs/dbraw/zinc/16/49/26/914164926.db2.gz MLMOTQNBVHKAAQ-JTQLQIEISA-N 1 2 262.313 0.777 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCOCC1 ZINC001326781322 914164940 /nfs/dbraw/zinc/16/49/40/914164940.db2.gz MLMOTQNBVHKAAQ-JTQLQIEISA-N 1 2 262.313 0.777 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001032432979 897562024 /nfs/dbraw/zinc/56/20/24/897562024.db2.gz ITIWFULDBPSNCI-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001032432979 897562039 /nfs/dbraw/zinc/56/20/39/897562039.db2.gz ITIWFULDBPSNCI-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001032453877 897594382 /nfs/dbraw/zinc/59/43/82/897594382.db2.gz UDKCXRRDCIJQJQ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001032453877 897594392 /nfs/dbraw/zinc/59/43/92/897594392.db2.gz UDKCXRRDCIJQJQ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)ncn1 ZINC001032475973 897621512 /nfs/dbraw/zinc/62/15/12/897621512.db2.gz SPBKHVQIIKALAJ-UWVGGRQHSA-N 1 2 292.289 0.946 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)ncn1 ZINC001032475973 897621520 /nfs/dbraw/zinc/62/15/20/897621520.db2.gz SPBKHVQIIKALAJ-UWVGGRQHSA-N 1 2 292.289 0.946 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CC[S@](C)=O)CC1 ZINC001326793576 914177204 /nfs/dbraw/zinc/17/72/04/914177204.db2.gz SBZCBQUQLNGYLL-KRWDZBQOSA-N 1 2 258.343 0.144 20 30 CCEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272773656 897646714 /nfs/dbraw/zinc/64/67/14/897646714.db2.gz XRMGJIJSBDAVJJ-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272773656 897646720 /nfs/dbraw/zinc/64/67/20/897646720.db2.gz XRMGJIJSBDAVJJ-OAHLLOKOSA-N 1 2 291.351 0.972 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(n1)OCCO2 ZINC001032497576 897655086 /nfs/dbraw/zinc/65/50/86/897655086.db2.gz USELHUNJIGEWDW-RYUDHWBXSA-N 1 2 299.330 0.385 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(n1)OCCO2 ZINC001032497576 897655094 /nfs/dbraw/zinc/65/50/94/897655094.db2.gz USELHUNJIGEWDW-RYUDHWBXSA-N 1 2 299.330 0.385 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1F ZINC001032588349 897783458 /nfs/dbraw/zinc/78/34/58/897783458.db2.gz AVCZWZOVYAYGPP-RYUDHWBXSA-N 1 2 273.311 0.682 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1F ZINC001032588349 897783467 /nfs/dbraw/zinc/78/34/67/897783467.db2.gz AVCZWZOVYAYGPP-RYUDHWBXSA-N 1 2 273.311 0.682 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)[nH]1 ZINC001032605234 897814936 /nfs/dbraw/zinc/81/49/36/897814936.db2.gz VGPBQQBSGMUDJT-QWRGUYRKSA-N 1 2 274.324 0.048 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)[nH]1 ZINC001032605234 897814947 /nfs/dbraw/zinc/81/49/47/897814947.db2.gz VGPBQQBSGMUDJT-QWRGUYRKSA-N 1 2 274.324 0.048 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccnc(OC)c1 ZINC001032629292 897851657 /nfs/dbraw/zinc/85/16/57/897851657.db2.gz ZXHLZPCOPABRGT-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccnc(OC)c1 ZINC001032629292 897851662 /nfs/dbraw/zinc/85/16/62/897851662.db2.gz ZXHLZPCOPABRGT-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CC1 ZINC001032711524 897955816 /nfs/dbraw/zinc/95/58/16/897955816.db2.gz BYRWZLJKSNWECS-RYUDHWBXSA-N 1 2 270.336 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CC1 ZINC001032711524 897955827 /nfs/dbraw/zinc/95/58/27/897955827.db2.gz BYRWZLJKSNWECS-RYUDHWBXSA-N 1 2 270.336 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001077840167 897981072 /nfs/dbraw/zinc/98/10/72/897981072.db2.gz KVIFKFOLAUMASR-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001077840167 897981086 /nfs/dbraw/zinc/98/10/86/897981086.db2.gz KVIFKFOLAUMASR-VXGBXAGGSA-N 1 2 264.350 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001077953282 898103545 /nfs/dbraw/zinc/10/35/45/898103545.db2.gz AJAHEMTXEGXJCK-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001077953282 898103551 /nfs/dbraw/zinc/10/35/51/898103551.db2.gz AJAHEMTXEGXJCK-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)NCC#N ZINC001485895788 898493839 /nfs/dbraw/zinc/49/38/39/898493839.db2.gz VQEIHBQMOXKABN-NEPJUHHUSA-N 1 2 275.356 0.406 20 30 CCEDLO C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001485899700 898512099 /nfs/dbraw/zinc/51/20/99/898512099.db2.gz YGFMWAPFNWUCEN-NSHDSACASA-N 1 2 271.324 0.908 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1 ZINC001485999756 898586276 /nfs/dbraw/zinc/58/62/76/898586276.db2.gz DVBRBOSYAJCLNX-NSHDSACASA-N 1 2 295.387 0.282 20 30 CCEDLO CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)C#N)C2)no1 ZINC001486458257 898889526 /nfs/dbraw/zinc/88/95/26/898889526.db2.gz WMVRQESZMSWWGY-WHXUTIOJSA-N 1 2 291.355 0.871 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)n2cc[nH+]c2)C1=O ZINC001327013685 914311491 /nfs/dbraw/zinc/31/14/91/914311491.db2.gz URZVCNBZOULWNM-VXGBXAGGSA-N 1 2 276.340 0.689 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486980589 899092581 /nfs/dbraw/zinc/09/25/81/899092581.db2.gz KNZVOGXOKLLZPW-MNOVXSKESA-N 1 2 291.355 0.085 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001410012894 899097716 /nfs/dbraw/zinc/09/77/16/899097716.db2.gz NJAPHLBIMABTHJ-WDEREUQCSA-N 1 2 280.372 0.109 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001410012894 899097726 /nfs/dbraw/zinc/09/77/26/899097726.db2.gz NJAPHLBIMABTHJ-WDEREUQCSA-N 1 2 280.372 0.109 20 30 CCEDLO COCC#CCN1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494458969 899115688 /nfs/dbraw/zinc/11/56/88/899115688.db2.gz ZDFWJWZOZMJDAM-CYBMUJFWSA-N 1 2 290.367 0.284 20 30 CCEDLO C=C[C@H](COC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327052606 914340222 /nfs/dbraw/zinc/34/02/22/914340222.db2.gz JPLYWQCLLXFOSX-SNVBAGLBSA-N 1 2 288.307 0.590 20 30 CCEDLO C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327052605 914341179 /nfs/dbraw/zinc/34/11/79/914341179.db2.gz JPLYWQCLLXFOSX-JTQLQIEISA-N 1 2 288.307 0.590 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)sn1 ZINC001191872639 900022097 /nfs/dbraw/zinc/02/20/97/900022097.db2.gz KVJTUEXAHNCZOO-GGZOMVNGSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)sn1 ZINC001191872639 900022107 /nfs/dbraw/zinc/02/21/07/900022107.db2.gz KVJTUEXAHNCZOO-GGZOMVNGSA-N 1 2 294.380 0.273 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001489254376 900455278 /nfs/dbraw/zinc/45/52/78/900455278.db2.gz XUGYUVZSUZIRSI-NEPJUHHUSA-N 1 2 278.356 0.171 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001489254376 900455284 /nfs/dbraw/zinc/45/52/84/900455284.db2.gz XUGYUVZSUZIRSI-NEPJUHHUSA-N 1 2 278.356 0.171 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001489791168 900522500 /nfs/dbraw/zinc/52/25/00/900522500.db2.gz CPJFZYQYJFKEII-CYBMUJFWSA-N 1 2 290.367 0.978 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001490309459 900598766 /nfs/dbraw/zinc/59/87/66/900598766.db2.gz JUUQOATZIIRCTN-JSGCOSHPSA-N 1 2 289.383 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCOCC ZINC001490805777 900767006 /nfs/dbraw/zinc/76/70/06/900767006.db2.gz UCKBWBAJQQVJJV-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCOCC ZINC001490805777 900767015 /nfs/dbraw/zinc/76/70/15/900767015.db2.gz UCKBWBAJQQVJJV-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)COC)C2)CC1 ZINC001280676824 900910946 /nfs/dbraw/zinc/91/09/46/900910946.db2.gz COXQFTWGMZMSJX-HUUCEWRRSA-N 1 2 293.411 0.121 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001275561137 901127595 /nfs/dbraw/zinc/12/75/95/901127595.db2.gz XDJXMZXXZSZTAX-RYUDHWBXSA-N 1 2 274.368 0.899 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001275561137 901127601 /nfs/dbraw/zinc/12/76/01/901127601.db2.gz XDJXMZXXZSZTAX-RYUDHWBXSA-N 1 2 274.368 0.899 20 30 CCEDLO N#CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC001411631588 901168451 /nfs/dbraw/zinc/16/84/51/901168451.db2.gz CYCNVHPNSCNNGL-OAHLLOKOSA-N 1 2 287.363 0.820 20 30 CCEDLO N#CC1(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CCC1 ZINC001412721353 901982423 /nfs/dbraw/zinc/98/24/23/901982423.db2.gz DVOMACSJFWMOMD-GFCCVEGCSA-N 1 2 291.351 0.576 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327534257 914598225 /nfs/dbraw/zinc/59/82/25/914598225.db2.gz DIPAVPXPLYFEKT-STQMWFEESA-N 1 2 283.372 0.304 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CCC1 ZINC001413669662 903157984 /nfs/dbraw/zinc/15/79/84/903157984.db2.gz CTZLQBOETGWGQZ-SNVBAGLBSA-N 1 2 276.296 0.304 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CCC1 ZINC001413669662 903157993 /nfs/dbraw/zinc/15/79/93/903157993.db2.gz CTZLQBOETGWGQZ-SNVBAGLBSA-N 1 2 276.296 0.304 20 30 CCEDLO C=C1CCC(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001491418699 903557760 /nfs/dbraw/zinc/55/77/60/903557760.db2.gz USONHIWOHOTDIO-UHFFFAOYSA-N 1 2 290.367 0.862 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001316602327 904114080 /nfs/dbraw/zinc/11/40/80/904114080.db2.gz UHEWTTXABLBDHN-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001316602327 904114091 /nfs/dbraw/zinc/11/40/91/904114091.db2.gz UHEWTTXABLBDHN-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCCC(=O)N[C@@H]1COC2(C[NH+]([C@H](C)COC)C2)C1 ZINC001280935192 904174736 /nfs/dbraw/zinc/17/47/36/904174736.db2.gz KEXQQMHGTSOJKA-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC(=O)NCC)cc2C1 ZINC001281292337 904259691 /nfs/dbraw/zinc/25/96/91/904259691.db2.gz BZIZQLIRRXRGDG-UHFFFAOYSA-N 1 2 299.374 0.778 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC(=O)NCC)cc2C1 ZINC001281292337 904259705 /nfs/dbraw/zinc/25/97/05/904259705.db2.gz BZIZQLIRRXRGDG-UHFFFAOYSA-N 1 2 299.374 0.778 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001282128282 904418159 /nfs/dbraw/zinc/41/81/59/904418159.db2.gz IPKQIWGKAXSMNN-WDEREUQCSA-N 1 2 294.355 0.401 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[N@H+](C)Cc1cnnn1C ZINC001282383649 904465394 /nfs/dbraw/zinc/46/53/94/904465394.db2.gz CLFOSDZRJOKRFB-LLVKDONJSA-N 1 2 275.356 0.165 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)[N@@H+](C)Cc1cnnn1C ZINC001282383649 904465400 /nfs/dbraw/zinc/46/54/00/904465400.db2.gz CLFOSDZRJOKRFB-LLVKDONJSA-N 1 2 275.356 0.165 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)CCCC ZINC001282497467 904491808 /nfs/dbraw/zinc/49/18/08/904491808.db2.gz OPOYJRXTVCHZDL-LBPRGKRZSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)CCCC ZINC001282497467 904491809 /nfs/dbraw/zinc/49/18/09/904491809.db2.gz OPOYJRXTVCHZDL-LBPRGKRZSA-N 1 2 288.413 0.271 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2(COCC)CC2)C1 ZINC001282523597 904502317 /nfs/dbraw/zinc/50/23/17/904502317.db2.gz PMCOXOADATUXRP-UHFFFAOYSA-N 1 2 294.395 0.379 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001282707779 904527715 /nfs/dbraw/zinc/52/77/15/904527715.db2.gz YKUZICYPPKHXNG-GFCCVEGCSA-N 1 2 291.395 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001282820721 904547829 /nfs/dbraw/zinc/54/78/29/904547829.db2.gz MCKGDHZFTQRBSU-CYBMUJFWSA-N 1 2 289.383 0.587 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001282820721 904547835 /nfs/dbraw/zinc/54/78/35/904547835.db2.gz MCKGDHZFTQRBSU-CYBMUJFWSA-N 1 2 289.383 0.587 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1ccc(C)cc1=O ZINC001377226503 904699866 /nfs/dbraw/zinc/69/98/66/904699866.db2.gz XXFJHOKSPWEDLY-UHFFFAOYSA-N 1 2 297.786 0.957 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1ccc(C)cc1=O ZINC001377226503 904699882 /nfs/dbraw/zinc/69/98/82/904699882.db2.gz XXFJHOKSPWEDLY-UHFFFAOYSA-N 1 2 297.786 0.957 20 30 CCEDLO CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NCC#N ZINC001283464190 904855190 /nfs/dbraw/zinc/85/51/90/904855190.db2.gz XVFGYQNSNIEWOT-CYBMUJFWSA-N 1 2 277.372 0.607 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001377567152 905000554 /nfs/dbraw/zinc/00/05/54/905000554.db2.gz UWRQYOAEGVOQDV-NSHDSACASA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001377567152 905000571 /nfs/dbraw/zinc/00/05/71/905000571.db2.gz UWRQYOAEGVOQDV-NSHDSACASA-N 1 2 285.775 0.598 20 30 CCEDLO CCn1nncc1C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001377959116 905278008 /nfs/dbraw/zinc/27/80/08/905278008.db2.gz FYHRBUULRCNVFR-JTQLQIEISA-N 1 2 276.344 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001378005075 905322117 /nfs/dbraw/zinc/32/21/17/905322117.db2.gz LFTWEWBOPCTYQG-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001378005075 905322131 /nfs/dbraw/zinc/32/21/31/905322131.db2.gz LFTWEWBOPCTYQG-GHMZBOCLSA-N 1 2 276.764 0.591 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cn2ccccc2=O)C1 ZINC001378013398 905339054 /nfs/dbraw/zinc/33/90/54/905339054.db2.gz DLNQVGQZWNFHIB-UHFFFAOYSA-N 1 2 295.770 0.649 20 30 CCEDLO C=CCCC(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001284955454 905508999 /nfs/dbraw/zinc/50/89/99/905508999.db2.gz ZYHGWOWPXJPOQZ-UHFFFAOYSA-N 1 2 290.367 0.814 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001287701085 905948658 /nfs/dbraw/zinc/94/86/58/905948658.db2.gz WVZXLCJWHKOTPF-LLVKDONJSA-N 1 2 294.355 0.118 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001292573253 906284194 /nfs/dbraw/zinc/28/41/94/906284194.db2.gz QZVJUYDPDGHBPN-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001292573253 906284212 /nfs/dbraw/zinc/28/42/12/906284212.db2.gz QZVJUYDPDGHBPN-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNC(=O)C#CC(C)C ZINC001296057729 906858464 /nfs/dbraw/zinc/85/84/64/906858464.db2.gz FBPPVPZJCCMPSF-UHFFFAOYSA-N 1 2 290.367 0.495 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1nncn1C ZINC001380949908 907009524 /nfs/dbraw/zinc/00/95/24/907009524.db2.gz RODMEKGUQDNLPF-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1nncn1C ZINC001380949908 907009545 /nfs/dbraw/zinc/00/95/45/907009545.db2.gz RODMEKGUQDNLPF-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001299106656 907389615 /nfs/dbraw/zinc/38/96/15/907389615.db2.gz LZIQZPWHYQLYDH-GFCCVEGCSA-N 1 2 276.340 0.636 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC001491712562 907534166 /nfs/dbraw/zinc/53/41/66/907534166.db2.gz IOPLSSMYXIEFKX-JTQLQIEISA-N 1 2 295.368 0.325 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001491729246 907540667 /nfs/dbraw/zinc/54/06/67/907540667.db2.gz JSZACPVBKBMICH-NSHDSACASA-N 1 2 293.371 0.155 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001492190547 907743190 /nfs/dbraw/zinc/74/31/90/907743190.db2.gz NOWMPTKPBCEFQK-UHFFFAOYSA-N 1 2 270.720 0.596 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001492190547 907743196 /nfs/dbraw/zinc/74/31/96/907743196.db2.gz NOWMPTKPBCEFQK-UHFFFAOYSA-N 1 2 270.720 0.596 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(C)noc1C ZINC001492191195 907743852 /nfs/dbraw/zinc/74/38/52/907743852.db2.gz KVMGAXFOWOAJCF-UHFFFAOYSA-N 1 2 294.355 0.255 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(C)noc1C ZINC001492191195 907743866 /nfs/dbraw/zinc/74/38/66/907743866.db2.gz KVMGAXFOWOAJCF-UHFFFAOYSA-N 1 2 294.355 0.255 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)CC ZINC001492194072 907748011 /nfs/dbraw/zinc/74/80/11/907748011.db2.gz FIVRFEZEFGJDNZ-LLVKDONJSA-N 1 2 255.362 0.383 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)CC ZINC001492194072 907748019 /nfs/dbraw/zinc/74/80/19/907748019.db2.gz FIVRFEZEFGJDNZ-LLVKDONJSA-N 1 2 255.362 0.383 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(C)no1 ZINC001382545298 907782706 /nfs/dbraw/zinc/78/27/06/907782706.db2.gz UAXJUSSQWJMNPY-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(C)no1 ZINC001382545298 907782710 /nfs/dbraw/zinc/78/27/10/907782710.db2.gz UAXJUSSQWJMNPY-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001492249999 907800641 /nfs/dbraw/zinc/80/06/41/907800641.db2.gz OCGQCXVOYWGAFY-GFCCVEGCSA-N 1 2 279.340 0.569 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001492249999 907800652 /nfs/dbraw/zinc/80/06/52/907800652.db2.gz OCGQCXVOYWGAFY-GFCCVEGCSA-N 1 2 279.340 0.569 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001304090092 908142084 /nfs/dbraw/zinc/14/20/84/908142084.db2.gz XVUXCYSXQYVDOX-SECBINFHSA-N 1 2 287.266 0.821 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001304090092 908142090 /nfs/dbraw/zinc/14/20/90/908142090.db2.gz XVUXCYSXQYVDOX-SECBINFHSA-N 1 2 287.266 0.821 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001385611483 908467806 /nfs/dbraw/zinc/46/78/06/908467806.db2.gz JUSYNJLHVINBKO-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](CNCC#N)C1 ZINC001316703529 908701971 /nfs/dbraw/zinc/70/19/71/908701971.db2.gz LEKPUXWGXVGUTJ-YPMHNXCESA-N 1 2 275.356 0.692 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H]1C ZINC001316794922 908774303 /nfs/dbraw/zinc/77/43/03/908774303.db2.gz JVYZEULPEXWDQO-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H]1C ZINC001316794922 908774315 /nfs/dbraw/zinc/77/43/15/908774315.db2.gz JVYZEULPEXWDQO-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO CC(C)CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316961562 908864864 /nfs/dbraw/zinc/86/48/64/908864864.db2.gz APJBTIIPWIKMNQ-UHFFFAOYSA-N 1 2 252.362 0.290 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001317171146 909026456 /nfs/dbraw/zinc/02/64/56/909026456.db2.gz OMSLPWFIQOKGMS-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001317171146 909026474 /nfs/dbraw/zinc/02/64/74/909026474.db2.gz OMSLPWFIQOKGMS-CYBMUJFWSA-N 1 2 293.411 0.753 20 30 CCEDLO CCc1noc(C[NH2+][C@@H](C)CNC(=O)C#CC(C)C)n1 ZINC001317239190 909080550 /nfs/dbraw/zinc/08/05/50/909080550.db2.gz RCRLWALUCXDDAR-NSHDSACASA-N 1 2 278.356 0.886 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1CCCCCC1 ZINC001317440991 909203884 /nfs/dbraw/zinc/20/38/84/909203884.db2.gz WGBWLAJGEWKJQZ-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1CCCCCC1 ZINC001317440991 909203897 /nfs/dbraw/zinc/20/38/97/909203897.db2.gz WGBWLAJGEWKJQZ-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1(CC)CC1 ZINC001317460546 909236092 /nfs/dbraw/zinc/23/60/92/909236092.db2.gz ZNPSGAGNKWQAEL-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1(CC)CC1 ZINC001317460546 909236107 /nfs/dbraw/zinc/23/61/07/909236107.db2.gz ZNPSGAGNKWQAEL-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493533 909262461 /nfs/dbraw/zinc/26/24/61/909262461.db2.gz AWTZSQGOHNGSLU-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493533 909262476 /nfs/dbraw/zinc/26/24/76/909262476.db2.gz AWTZSQGOHNGSLU-VXGBXAGGSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001317524446 909292573 /nfs/dbraw/zinc/29/25/73/909292573.db2.gz XHJVSKULSMTKSJ-GFCCVEGCSA-N 1 2 294.355 0.519 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001317524446 909292579 /nfs/dbraw/zinc/29/25/79/909292579.db2.gz XHJVSKULSMTKSJ-GFCCVEGCSA-N 1 2 294.355 0.519 20 30 CCEDLO CN(CC[NH2+]Cc1ncccn1)C(=O)c1ccc(C#N)[nH]1 ZINC001317577545 909373283 /nfs/dbraw/zinc/37/32/83/909373283.db2.gz TZPZFJGFLBFDGD-UHFFFAOYSA-N 1 2 284.323 0.538 20 30 CCEDLO C#CCN(CC)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001338519373 921494368 /nfs/dbraw/zinc/49/43/68/921494368.db2.gz KWQNMQZWIROOHZ-UHFFFAOYSA-N 1 2 291.399 0.479 20 30 CCEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)CCC(N)=O ZINC001317732081 909477212 /nfs/dbraw/zinc/47/72/12/909477212.db2.gz JGZVCFYRIOLSIT-UHFFFAOYSA-N 1 2 262.375 0.175 20 30 CCEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)CCC(N)=O ZINC001317732081 909477220 /nfs/dbraw/zinc/47/72/20/909477220.db2.gz JGZVCFYRIOLSIT-UHFFFAOYSA-N 1 2 262.375 0.175 20 30 CCEDLO CC(C)OCCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001317814015 909510977 /nfs/dbraw/zinc/51/09/77/909510977.db2.gz QIDITZQTHVXHHO-UHFFFAOYSA-N 1 2 296.415 0.401 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccn(C)n2)C1 ZINC001318029130 909591498 /nfs/dbraw/zinc/59/14/98/909591498.db2.gz LYDUIBFBIVBUEB-UHFFFAOYSA-N 1 2 260.341 0.176 20 30 CCEDLO COCC#CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318038019 909596032 /nfs/dbraw/zinc/59/60/32/909596032.db2.gz LSNHEXMXTHSJLA-UHFFFAOYSA-N 1 2 298.346 0.627 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCCCc2c[nH]nn2)C1 ZINC001318046928 909596213 /nfs/dbraw/zinc/59/62/13/909596213.db2.gz GDRJPBNJSVXUHR-UHFFFAOYSA-N 1 2 277.372 0.894 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COC[C@H]2CCCO2)C1 ZINC001318098650 909617959 /nfs/dbraw/zinc/61/79/59/909617959.db2.gz PWMVGJRYJCDISY-CYBMUJFWSA-N 1 2 266.341 0.006 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001318118322 909631295 /nfs/dbraw/zinc/63/12/95/909631295.db2.gz UMXVNHVDKXKFLF-HNNXBMFYSA-N 1 2 293.367 0.858 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001318183885 909654154 /nfs/dbraw/zinc/65/41/54/909654154.db2.gz FDJOVEFUGWLUAP-DRZSPHRISA-N 1 2 277.368 0.372 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001318183885 909654162 /nfs/dbraw/zinc/65/41/62/909654162.db2.gz FDJOVEFUGWLUAP-DRZSPHRISA-N 1 2 277.368 0.372 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001318355935 909722863 /nfs/dbraw/zinc/72/28/63/909722863.db2.gz NEKGZERVSLLQJT-GFCCVEGCSA-N 1 2 297.374 0.619 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001318355935 909722870 /nfs/dbraw/zinc/72/28/70/909722870.db2.gz NEKGZERVSLLQJT-GFCCVEGCSA-N 1 2 297.374 0.619 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)NCC#N ZINC001318541928 909806266 /nfs/dbraw/zinc/80/62/66/909806266.db2.gz PAXIMKXRJAVPLO-RYUDHWBXSA-N 1 2 275.356 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001389421223 909884877 /nfs/dbraw/zinc/88/48/77/909884877.db2.gz NRJBHUOUYBDOER-UWVGGRQHSA-N 1 2 299.334 0.957 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001319306664 910087006 /nfs/dbraw/zinc/08/70/06/910087006.db2.gz XTRUUSHPKFJRMF-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001319306664 910087020 /nfs/dbraw/zinc/08/70/20/910087020.db2.gz XTRUUSHPKFJRMF-LBPRGKRZSA-N 1 2 293.371 0.130 20 30 CCEDLO C[S@](=O)CCN1CC[NH+](CCCCC#N)CC1 ZINC001319390168 910125611 /nfs/dbraw/zinc/12/56/11/910125611.db2.gz UWVTXFWIOKXISA-KRWDZBQOSA-N 1 2 257.403 0.676 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(CCCCC#N)CC1 ZINC001319390168 910125633 /nfs/dbraw/zinc/12/56/33/910125633.db2.gz UWVTXFWIOKXISA-KRWDZBQOSA-N 1 2 257.403 0.676 20 30 CCEDLO CC#CCCCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001319405532 910136223 /nfs/dbraw/zinc/13/62/23/910136223.db2.gz PYARMQGQNYXSCP-UHFFFAOYSA-N 1 2 291.395 0.590 20 30 CCEDLO C#CCCCC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001319990745 910404076 /nfs/dbraw/zinc/40/40/76/910404076.db2.gz CGDVQWRUHXOVTA-UHFFFAOYSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001319990745 910404093 /nfs/dbraw/zinc/40/40/93/910404093.db2.gz CGDVQWRUHXOVTA-UHFFFAOYSA-N 1 2 279.384 0.459 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001391147283 910883315 /nfs/dbraw/zinc/88/33/15/910883315.db2.gz CZPXTWIRJCNELJ-UHFFFAOYSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001391147283 910883333 /nfs/dbraw/zinc/88/33/33/910883333.db2.gz CZPXTWIRJCNELJ-UHFFFAOYSA-N 1 2 284.751 0.006 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@]1(C#N)CCSC1 ZINC001321043755 911043050 /nfs/dbraw/zinc/04/30/50/911043050.db2.gz WUBFKVYAXYZQGJ-LBPRGKRZSA-N 1 2 264.354 0.868 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321169079 911132849 /nfs/dbraw/zinc/13/28/49/911132849.db2.gz GJQAAVYKFCAVIL-DGCLKSJQSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001391543719 911211741 /nfs/dbraw/zinc/21/17/41/911211741.db2.gz GXIQMQTVLUFRPE-RYUDHWBXSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001391543719 911211750 /nfs/dbraw/zinc/21/17/50/911211750.db2.gz GXIQMQTVLUFRPE-RYUDHWBXSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1ncn[nH]1 ZINC001321303539 911217834 /nfs/dbraw/zinc/21/78/34/911217834.db2.gz VKGRCKZCXNUUSD-IHWYPQMZSA-N 1 2 255.709 0.433 20 30 CCEDLO C=C(Cl)C[NH2+]CC=CCNC(=O)c1nc[nH]n1 ZINC001321303539 911217845 /nfs/dbraw/zinc/21/78/45/911217845.db2.gz VKGRCKZCXNUUSD-IHWYPQMZSA-N 1 2 255.709 0.433 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001321512438 911339619 /nfs/dbraw/zinc/33/96/19/911339619.db2.gz XUWDDFMPHWLRHT-SNVBAGLBSA-N 1 2 266.370 0.792 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001322642256 911894886 /nfs/dbraw/zinc/89/48/86/911894886.db2.gz QQSXPXGYZXOEBC-LLVKDONJSA-N 1 2 275.356 0.338 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399877555 915412389 /nfs/dbraw/zinc/41/23/89/915412389.db2.gz YWYNCFLKBFTARB-FZMZJTMJSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399877555 915412394 /nfs/dbraw/zinc/41/23/94/915412394.db2.gz YWYNCFLKBFTARB-FZMZJTMJSA-N 1 2 299.802 0.988 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001329080059 915649760 /nfs/dbraw/zinc/64/97/60/915649760.db2.gz CMSJFRFLJZFHEW-UHFFFAOYSA-N 1 2 284.319 0.480 20 30 CCEDLO COCC#CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001329276517 915788559 /nfs/dbraw/zinc/78/85/59/915788559.db2.gz BSLRZLDWQCSCPH-CYBMUJFWSA-N 1 2 260.293 0.711 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CC(C)(C)C)C1 ZINC001329638892 916086081 /nfs/dbraw/zinc/08/60/81/916086081.db2.gz UJRIGPWTNWANSD-UHFFFAOYSA-N 1 2 266.385 0.999 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)COC)C2)C1 ZINC001330159601 916445061 /nfs/dbraw/zinc/44/50/61/916445061.db2.gz GESOZXANLGCEGX-GOEBONIOSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)COC)C2)C1 ZINC001330159601 916445070 /nfs/dbraw/zinc/44/50/70/916445070.db2.gz GESOZXANLGCEGX-GOEBONIOSA-N 1 2 294.395 0.596 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCNCC#N ZINC001330968960 916997301 /nfs/dbraw/zinc/99/73/01/916997301.db2.gz CBYOYUKYCKUIBY-SNVBAGLBSA-N 1 2 263.345 0.659 20 30 CCEDLO CC1(C#N)CC[NH+](CN2C[C@@H]3CCO[C@@H]3C2=O)CC1 ZINC001331463791 917350442 /nfs/dbraw/zinc/35/04/42/917350442.db2.gz GEFCRPVZAXBMCP-RYUDHWBXSA-N 1 2 263.341 0.817 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC001332524953 918252034 /nfs/dbraw/zinc/25/20/34/918252034.db2.gz HUDVCJFIZXQENI-ZDUSSCGKSA-N 1 2 288.355 0.778 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC001332524953 918252047 /nfs/dbraw/zinc/25/20/47/918252047.db2.gz HUDVCJFIZXQENI-ZDUSSCGKSA-N 1 2 288.355 0.778 20 30 CCEDLO N#Cc1cncc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC001333017633 918601677 /nfs/dbraw/zinc/60/16/77/918601677.db2.gz OVIMBFOEGOBHGD-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC001333017633 918601687 /nfs/dbraw/zinc/60/16/87/918601687.db2.gz OVIMBFOEGOBHGD-AWEZNQCLSA-N 1 2 285.307 0.127 20 30 CCEDLO C=CCC1(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CCOCC1 ZINC001333398073 918869255 /nfs/dbraw/zinc/86/92/55/918869255.db2.gz UNTUUUWIDDGPQV-LBPRGKRZSA-N 1 2 293.367 0.943 20 30 CCEDLO C=CCCc1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 ZINC001334071450 919354410 /nfs/dbraw/zinc/35/44/10/919354410.db2.gz MDECUXBGOSNNRU-QMMMGPOBSA-N 1 2 259.331 0.623 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC001336021456 920569864 /nfs/dbraw/zinc/56/98/64/920569864.db2.gz PUDFRRQHBIHZOK-LBPRGKRZSA-N 1 2 292.360 0.244 20 30 CCEDLO CCN(CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)[C@@H](C)C#N ZINC001415684778 920805612 /nfs/dbraw/zinc/80/56/12/920805612.db2.gz MSAKRTGLPRWSKL-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO CCN(CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)[C@@H](C)C#N ZINC001415684778 920805622 /nfs/dbraw/zinc/80/56/22/920805622.db2.gz MSAKRTGLPRWSKL-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001418178130 921874555 /nfs/dbraw/zinc/87/45/55/921874555.db2.gz NBUMLTJMJNTBFI-HKWYAPCNSA-N 1 2 289.339 0.645 20 30 CCEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001418178130 921874565 /nfs/dbraw/zinc/87/45/65/921874565.db2.gz NBUMLTJMJNTBFI-HKWYAPCNSA-N 1 2 289.339 0.645 20 30 CCEDLO C=CC1CCN(c2nnc([C@H]3C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001340043429 921928383 /nfs/dbraw/zinc/92/83/83/921928383.db2.gz IMDUPWDKOBVYEW-QWHCGFSZSA-N 1 2 291.399 0.955 20 30 CCEDLO C=CC1CCN(c2nnc([C@H]3C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001340043429 921928399 /nfs/dbraw/zinc/92/83/99/921928399.db2.gz IMDUPWDKOBVYEW-QWHCGFSZSA-N 1 2 291.399 0.955 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001419087502 922629378 /nfs/dbraw/zinc/62/93/78/922629378.db2.gz ARCKGYAJKVYMTH-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001419087502 922629389 /nfs/dbraw/zinc/62/93/89/922629389.db2.gz ARCKGYAJKVYMTH-VXGBXAGGSA-N 1 2 280.372 0.251 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001419143324 922663328 /nfs/dbraw/zinc/66/33/28/922663328.db2.gz PSJWRFCIHKSMRQ-LLVKDONJSA-N 1 2 273.764 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001419143324 922663338 /nfs/dbraw/zinc/66/33/38/922663338.db2.gz PSJWRFCIHKSMRQ-LLVKDONJSA-N 1 2 273.764 0.408 20 30 CCEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1nncs1 ZINC001419723348 923042651 /nfs/dbraw/zinc/04/26/51/923042651.db2.gz AZQJVESQJNQBRS-QMMMGPOBSA-N 1 2 290.352 0.646 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nncn1C ZINC001420577199 923795798 /nfs/dbraw/zinc/79/57/98/923795798.db2.gz ICLIDQZQLNOLMD-NEPJUHHUSA-N 1 2 292.387 0.864 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nncn1C ZINC001420577199 923795807 /nfs/dbraw/zinc/79/58/07/923795807.db2.gz ICLIDQZQLNOLMD-NEPJUHHUSA-N 1 2 292.387 0.864 20 30 CCEDLO C=C(CO)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001346206584 924108915 /nfs/dbraw/zinc/10/89/15/924108915.db2.gz HMHRCYXLPRZEMK-UHFFFAOYSA-N 1 2 289.339 0.194 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001349362685 924941958 /nfs/dbraw/zinc/94/19/58/924941958.db2.gz JXPJQVDLVDLIOO-LLVKDONJSA-N 1 2 261.325 0.595 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001352901600 925669759 /nfs/dbraw/zinc/66/97/59/925669759.db2.gz LHHKLIOVAPEYSV-NWDGAFQWSA-N 1 2 277.372 0.495 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001352901600 925669763 /nfs/dbraw/zinc/66/97/63/925669763.db2.gz LHHKLIOVAPEYSV-NWDGAFQWSA-N 1 2 277.372 0.495 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001355641658 926296116 /nfs/dbraw/zinc/29/61/16/926296116.db2.gz YDWQPKXHPWZPBU-LBPRGKRZSA-N 1 2 291.399 0.477 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001357021558 926475970 /nfs/dbraw/zinc/47/59/70/926475970.db2.gz WAADNJBUJIDHRB-LBPRGKRZSA-N 1 2 290.367 0.480 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001358867610 926854073 /nfs/dbraw/zinc/85/40/73/926854073.db2.gz GLJOIBDGHTVIHW-QWHCGFSZSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@@](Cn1cccn1)([NH2+]Cc1ccc(C#N)o1)C(N)=O ZINC001422440562 927277400 /nfs/dbraw/zinc/27/74/00/927277400.db2.gz PCVCVBCFMWYLKV-ZDUSSCGKSA-N 1 2 273.296 0.382 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCC(N)=O ZINC001422927166 927595684 /nfs/dbraw/zinc/59/56/84/927595684.db2.gz LAHPRYOVLVDZEH-JTQLQIEISA-N 1 2 275.780 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCC(N)=O ZINC001422927166 927595692 /nfs/dbraw/zinc/59/56/92/927595692.db2.gz LAHPRYOVLVDZEH-JTQLQIEISA-N 1 2 275.780 0.831 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1ccon1 ZINC001424920864 928347848 /nfs/dbraw/zinc/34/78/48/928347848.db2.gz JJRDICDOQBSOOW-NXEZZACHSA-N 1 2 293.327 0.209 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccon1 ZINC001424920864 928347862 /nfs/dbraw/zinc/34/78/62/928347862.db2.gz JJRDICDOQBSOOW-NXEZZACHSA-N 1 2 293.327 0.209 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252912 929029057 /nfs/dbraw/zinc/02/90/57/929029057.db2.gz KONVLDFPAYODTA-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC001363252912 929029071 /nfs/dbraw/zinc/02/90/71/929029071.db2.gz KONVLDFPAYODTA-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)n2cnc(C#N)n2)[nH+]1 ZINC001363702863 929499798 /nfs/dbraw/zinc/49/97/98/929499798.db2.gz CHHQZQYYBVLOFT-VIFPVBQESA-N 1 2 287.327 0.874 20 30 CCEDLO CC(C)c1[nH]c(CNC(=O)[C@H](C)n2cnc(C#N)n2)c[nH+]1 ZINC001363702863 929499806 /nfs/dbraw/zinc/49/98/06/929499806.db2.gz CHHQZQYYBVLOFT-VIFPVBQESA-N 1 2 287.327 0.874 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1(CC#N)CC1 ZINC001363749944 929544616 /nfs/dbraw/zinc/54/46/16/929544616.db2.gz GBLYTDKSUKXXTB-NSHDSACASA-N 1 2 282.369 0.885 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001363798189 929586174 /nfs/dbraw/zinc/58/61/74/929586174.db2.gz LKSXDJAHEMEUPN-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001363798189 929586184 /nfs/dbraw/zinc/58/61/84/929586184.db2.gz LKSXDJAHEMEUPN-KBPBESRZSA-N 1 2 294.376 0.711 20 30 CCEDLO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001374165286 930440761 /nfs/dbraw/zinc/44/07/61/930440761.db2.gz CJLNEWWTQMVFQC-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001448033256 930792470 /nfs/dbraw/zinc/79/24/70/930792470.db2.gz LCTCGINTGXZRIW-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001448033256 930792479 /nfs/dbraw/zinc/79/24/79/930792479.db2.gz LCTCGINTGXZRIW-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001448063872 930805087 /nfs/dbraw/zinc/80/50/87/930805087.db2.gz LYGPCSBTGYEVER-QMMMGPOBSA-N 1 2 272.740 0.013 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001448063872 930805091 /nfs/dbraw/zinc/80/50/91/930805091.db2.gz LYGPCSBTGYEVER-QMMMGPOBSA-N 1 2 272.740 0.013 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](COC)OC)C1 ZINC001448324027 930874093 /nfs/dbraw/zinc/87/40/93/930874093.db2.gz ZNQCKRPLOOIGIR-PWSUYJOCSA-N 1 2 290.791 0.837 20 30 CCEDLO C=CC[N@@H+](C)CCN(CC)C(=O)CS(=O)(=O)C(C)C ZINC001448881033 931017257 /nfs/dbraw/zinc/01/72/57/931017257.db2.gz FLNDINSUIVBDMC-UHFFFAOYSA-N 1 2 290.429 0.776 20 30 CCEDLO C=CC[N@H+](C)CCN(CC)C(=O)CS(=O)(=O)C(C)C ZINC001448881033 931017263 /nfs/dbraw/zinc/01/72/63/931017263.db2.gz FLNDINSUIVBDMC-UHFFFAOYSA-N 1 2 290.429 0.776 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377147968 931408313 /nfs/dbraw/zinc/40/83/13/931408313.db2.gz RNRLVDFMHMACCD-UHFFFAOYSA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377147968 931408318 /nfs/dbraw/zinc/40/83/18/931408318.db2.gz RNRLVDFMHMACCD-UHFFFAOYSA-N 1 2 273.764 0.265 20 30 CCEDLO C#CC[N@@H+](CCC(=O)[O-])C1CC[NH+](CCC(=O)OC)CC1 ZINC001588469509 983502228 /nfs/dbraw/zinc/50/22/28/983502228.db2.gz JEZPWZHBOQTCTB-UHFFFAOYSA-N 1 2 296.367 0.424 20 30 CCEDLO C#CC[N@H+](CCC(=O)[O-])C1CC[NH+](CCC(=O)OC)CC1 ZINC001588469509 983502230 /nfs/dbraw/zinc/50/22/30/983502230.db2.gz JEZPWZHBOQTCTB-UHFFFAOYSA-N 1 2 296.367 0.424 20 30 CCEDLO C[C@@H]1OCC[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000092369092 349491616 /nfs/dbraw/zinc/49/16/16/349491616.db2.gz URYYPFKDSSOQGA-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCCO ZINC000092173021 349484010 /nfs/dbraw/zinc/48/40/10/349484010.db2.gz IKHHQOUQXMHJST-UHFFFAOYSA-N 1 2 283.372 0.223 20 30 CCEDLO CCC(C#N)(CC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000599647637 361771785 /nfs/dbraw/zinc/77/17/85/361771785.db2.gz RNSSLTHMOXYLIJ-CYBMUJFWSA-N 1 2 297.399 0.468 20 30 CCEDLO C[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000094298629 349566036 /nfs/dbraw/zinc/56/60/36/349566036.db2.gz JQRGSEOSXKKGMW-CYBMUJFWSA-N 1 2 282.365 0.568 20 30 CCEDLO C[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000094298629 349566041 /nfs/dbraw/zinc/56/60/41/349566041.db2.gz JQRGSEOSXKKGMW-CYBMUJFWSA-N 1 2 282.365 0.568 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@]1(CO)CCOC1 ZINC000600178988 361883695 /nfs/dbraw/zinc/88/36/95/361883695.db2.gz PIDUCZMAVLODGI-LLVKDONJSA-N 1 2 253.327 0.598 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@]1(CO)CCOC1 ZINC000600178988 361883696 /nfs/dbraw/zinc/88/36/96/361883696.db2.gz PIDUCZMAVLODGI-LLVKDONJSA-N 1 2 253.327 0.598 20 30 CCEDLO C[C@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000601641063 362337295 /nfs/dbraw/zinc/33/72/95/362337295.db2.gz NBVAIVGRHLRAGH-OPRDCNLKSA-N 1 2 261.329 0.903 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601685303 362354883 /nfs/dbraw/zinc/35/48/83/362354883.db2.gz TUZVZWHJGPFTTJ-CYBMUJFWSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601685303 362354888 /nfs/dbraw/zinc/35/48/88/362354888.db2.gz TUZVZWHJGPFTTJ-CYBMUJFWSA-N 1 2 273.336 0.813 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601806961 362397260 /nfs/dbraw/zinc/39/72/60/362397260.db2.gz GYSIBWKGAMCZRG-QWHCGFSZSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601806961 362397264 /nfs/dbraw/zinc/39/72/64/362397264.db2.gz GYSIBWKGAMCZRG-QWHCGFSZSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601806959 362397744 /nfs/dbraw/zinc/39/77/44/362397744.db2.gz GYSIBWKGAMCZRG-CHWSQXEVSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601806959 362397751 /nfs/dbraw/zinc/39/77/51/362397751.db2.gz GYSIBWKGAMCZRG-CHWSQXEVSA-N 1 2 294.399 0.593 20 30 CCEDLO CNc1[nH+]cnc2c1cnn2C[C@H](O)CC1(C#N)CC1 ZINC000601956090 362438040 /nfs/dbraw/zinc/43/80/40/362438040.db2.gz DPEFWJQLJPQQLF-SECBINFHSA-N 1 2 272.312 0.923 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329996429 530027170 /nfs/dbraw/zinc/02/71/70/530027170.db2.gz OWRHFKLGLWHYSR-JZYVYDRUSA-N 1 2 250.302 0.411 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000329012159 530046656 /nfs/dbraw/zinc/04/66/56/530046656.db2.gz INCYGPWKMRIMAV-UTUOFQBUSA-N 1 2 296.371 0.424 20 30 CCEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000329012159 530046657 /nfs/dbraw/zinc/04/66/57/530046657.db2.gz INCYGPWKMRIMAV-UTUOFQBUSA-N 1 2 296.371 0.424 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnccc1C#N ZINC000358393434 232095112 /nfs/dbraw/zinc/09/51/12/232095112.db2.gz HTDHNAIMTBNMAR-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCC#N)CC1 ZINC000602200995 362554506 /nfs/dbraw/zinc/55/45/06/362554506.db2.gz WCVVNUIGMSOTDI-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCC#N)CC1 ZINC000602200995 362554512 /nfs/dbraw/zinc/55/45/12/362554512.db2.gz WCVVNUIGMSOTDI-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC000602481874 362638627 /nfs/dbraw/zinc/63/86/27/362638627.db2.gz FMUHZIVKHCXRMF-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(C#N)n1)CC2 ZINC000602481874 362638629 /nfs/dbraw/zinc/63/86/29/362638629.db2.gz FMUHZIVKHCXRMF-UHFFFAOYSA-N 1 2 281.319 0.605 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C(=O)OC ZINC000602643297 362728748 /nfs/dbraw/zinc/72/87/48/362728748.db2.gz DBRFNIUVLAKDCL-XQQFMLRXSA-N 1 2 298.383 0.768 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000339228364 215027808 /nfs/dbraw/zinc/02/78/08/215027808.db2.gz MVKZHGSEYMEDQP-CQSZACIVSA-N 1 2 297.318 0.967 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC000339228364 215027811 /nfs/dbraw/zinc/02/78/11/215027811.db2.gz MVKZHGSEYMEDQP-CQSZACIVSA-N 1 2 297.318 0.967 20 30 CCEDLO CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602862664 362846604 /nfs/dbraw/zinc/84/66/04/362846604.db2.gz LPGCJQVPKYDFCX-BXUZGUMPSA-N 1 2 288.351 0.482 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@@H](C)N1CC#N ZINC000602858254 362844083 /nfs/dbraw/zinc/84/40/83/362844083.db2.gz QOOSWDCLUKIHFC-CHWSQXEVSA-N 1 2 278.400 0.821 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857034 362844199 /nfs/dbraw/zinc/84/41/99/362844199.db2.gz OBJBJOYEHKHYGX-YNEHKIRRSA-N 1 2 266.389 0.819 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCN1CCCCCC1=O ZINC000602859877 362845021 /nfs/dbraw/zinc/84/50/21/362845021.db2.gz BEXZJRSEPUAKOO-CYBMUJFWSA-N 1 2 294.399 0.787 20 30 CCEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602862242 362847337 /nfs/dbraw/zinc/84/73/37/362847337.db2.gz JITLEPROZVEXPW-RYUDHWBXSA-N 1 2 281.356 0.680 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]Cc2ccc(C#N)s2)nn1 ZINC000344846400 137217172 /nfs/dbraw/zinc/21/71/72/137217172.db2.gz LWLWCZAQJSETTF-UHFFFAOYSA-N 1 2 291.336 0.674 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602868224 362851456 /nfs/dbraw/zinc/85/14/56/362851456.db2.gz IIHHRYUQQUKIDY-KBPBESRZSA-N 1 2 291.399 0.571 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602911992 362882841 /nfs/dbraw/zinc/88/28/41/362882841.db2.gz MFXBBQURPFHTRW-AWEZNQCLSA-N 1 2 269.341 0.680 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602911992 362882848 /nfs/dbraw/zinc/88/28/48/362882848.db2.gz MFXBBQURPFHTRW-AWEZNQCLSA-N 1 2 269.341 0.680 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(CCC#N)CC1 ZINC000602922814 362887514 /nfs/dbraw/zinc/88/75/14/362887514.db2.gz SJRDXEHKDOQZMR-UHFFFAOYSA-N 1 2 273.340 0.875 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047795941 348388508 /nfs/dbraw/zinc/38/85/08/348388508.db2.gz LPDOEENAERKRTO-NSHDSACASA-N 1 2 269.345 0.499 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047795941 348388510 /nfs/dbraw/zinc/38/85/10/348388510.db2.gz LPDOEENAERKRTO-NSHDSACASA-N 1 2 269.345 0.499 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@](C)(CO)C1 ZINC000602962773 362911192 /nfs/dbraw/zinc/91/11/92/362911192.db2.gz OXWBUWKYRMWCFI-CMPLNLGQSA-N 1 2 267.354 0.986 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@](C)(CO)C1 ZINC000602962773 362911199 /nfs/dbraw/zinc/91/11/99/362911199.db2.gz OXWBUWKYRMWCFI-CMPLNLGQSA-N 1 2 267.354 0.986 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977128 362918647 /nfs/dbraw/zinc/91/86/47/362918647.db2.gz YGRIQVYHCFAPPI-AXFHLTTASA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977128 362918652 /nfs/dbraw/zinc/91/86/52/362918652.db2.gz YGRIQVYHCFAPPI-AXFHLTTASA-N 1 2 266.345 0.845 20 30 CCEDLO N#CCCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000049975774 348462805 /nfs/dbraw/zinc/46/28/05/348462805.db2.gz IVDHIJUAJQLASG-UHFFFAOYSA-N 1 2 250.346 0.186 20 30 CCEDLO N#CCCCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000049975774 348462810 /nfs/dbraw/zinc/46/28/10/348462810.db2.gz IVDHIJUAJQLASG-UHFFFAOYSA-N 1 2 250.346 0.186 20 30 CCEDLO CC(C)C(=O)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000052661254 348513206 /nfs/dbraw/zinc/51/32/06/348513206.db2.gz IBQNEOGSFWWUEP-CYBMUJFWSA-N 1 2 294.399 0.547 20 30 CCEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NCC#N)C2 ZINC000066495569 348745501 /nfs/dbraw/zinc/74/55/01/348745501.db2.gz NUAZHYAYSVBZPV-UHFFFAOYSA-N 1 2 286.335 0.643 20 30 CCEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NCC#N)C2 ZINC000066495569 348745504 /nfs/dbraw/zinc/74/55/04/348745504.db2.gz NUAZHYAYSVBZPV-UHFFFAOYSA-N 1 2 286.335 0.643 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000066496730 348745881 /nfs/dbraw/zinc/74/58/81/348745881.db2.gz DMSIQJNJQBVLJN-UHFFFAOYSA-N 1 2 279.369 0.295 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000066496730 348745882 /nfs/dbraw/zinc/74/58/82/348745882.db2.gz DMSIQJNJQBVLJN-UHFFFAOYSA-N 1 2 279.369 0.295 20 30 CCEDLO COCC[N@H+](CCC#N)CCC(=O)N(C)CCC#N ZINC000071224063 348905827 /nfs/dbraw/zinc/90/58/27/348905827.db2.gz WKUQPIOMBYZDLB-UHFFFAOYSA-N 1 2 266.345 0.611 20 30 CCEDLO COCC[N@@H+](CCC#N)CCC(=O)N(C)CCC#N ZINC000071224063 348905829 /nfs/dbraw/zinc/90/58/29/348905829.db2.gz WKUQPIOMBYZDLB-UHFFFAOYSA-N 1 2 266.345 0.611 20 30 CCEDLO C#CC[N@@H+](CCC(=O)OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000072609725 348925340 /nfs/dbraw/zinc/92/53/40/348925340.db2.gz VHJAOIPOJWCYHA-LBPRGKRZSA-N 1 2 287.381 0.450 20 30 CCEDLO C#CC[N@H+](CCC(=O)OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000072609725 348925343 /nfs/dbraw/zinc/92/53/43/348925343.db2.gz VHJAOIPOJWCYHA-LBPRGKRZSA-N 1 2 287.381 0.450 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000076650008 349088482 /nfs/dbraw/zinc/08/84/82/349088482.db2.gz AODWINQDSFYTEG-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000076650008 349088484 /nfs/dbraw/zinc/08/84/84/349088484.db2.gz AODWINQDSFYTEG-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO C=CCN(CC=C)C(=O)NCC[NH+]1CCOCC1 ZINC000078312196 349133368 /nfs/dbraw/zinc/13/33/68/349133368.db2.gz IUSADWDHYDDWBZ-UHFFFAOYSA-N 1 2 253.346 0.702 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)C#Cc2ccccc2)CC1 ZINC000080551240 349217672 /nfs/dbraw/zinc/21/76/72/349217672.db2.gz BKVYJAAIUPXCGE-UHFFFAOYSA-N 1 2 299.374 0.318 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3ccccc32)CC1 ZINC000081648900 349278007 /nfs/dbraw/zinc/27/80/07/349278007.db2.gz KCVNWPINQGYGGL-UHFFFAOYSA-N 1 2 299.374 0.663 20 30 CCEDLO CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000084203555 349316608 /nfs/dbraw/zinc/31/66/08/349316608.db2.gz CCLNDVXWDBIDJY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000084203555 349316612 /nfs/dbraw/zinc/31/66/12/349316612.db2.gz CCLNDVXWDBIDJY-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO COCC[N@H+](CCO)CC(=O)Nc1cccc(C#N)c1 ZINC000134894947 350379563 /nfs/dbraw/zinc/37/95/63/350379563.db2.gz ZREHOLREFNAZBS-UHFFFAOYSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC[N@@H+](CCO)CC(=O)Nc1cccc(C#N)c1 ZINC000134894947 350379565 /nfs/dbraw/zinc/37/95/65/350379565.db2.gz ZREHOLREFNAZBS-UHFFFAOYSA-N 1 2 277.324 0.437 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090326 362957631 /nfs/dbraw/zinc/95/76/31/362957631.db2.gz QQONJAWQZUTJDW-GMXABZIVSA-N 1 2 271.320 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090326 362957638 /nfs/dbraw/zinc/95/76/38/362957638.db2.gz QQONJAWQZUTJDW-GMXABZIVSA-N 1 2 271.320 0.952 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)ncc1C#N ZINC000603117341 362968368 /nfs/dbraw/zinc/96/83/68/362968368.db2.gz HJKDEMQDNSFFQE-LLVKDONJSA-N 1 2 282.307 0.627 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000157489422 350645611 /nfs/dbraw/zinc/64/56/11/350645611.db2.gz IYUBYTLUSFDJJL-UHFFFAOYSA-N 1 2 263.385 0.640 20 30 CCEDLO CC#CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000157489422 350645613 /nfs/dbraw/zinc/64/56/13/350645613.db2.gz IYUBYTLUSFDJJL-UHFFFAOYSA-N 1 2 263.385 0.640 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1C#N ZINC000168015270 350818566 /nfs/dbraw/zinc/81/85/66/350818566.db2.gz AYKGZCIDOJHRHV-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1C#N ZINC000168015270 350818570 /nfs/dbraw/zinc/81/85/70/350818570.db2.gz AYKGZCIDOJHRHV-CYBMUJFWSA-N 1 2 262.309 0.760 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000165477038 350790907 /nfs/dbraw/zinc/79/09/07/350790907.db2.gz BSKDVDHAELFMGO-UHFFFAOYSA-N 1 2 293.392 0.944 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172323909 350976628 /nfs/dbraw/zinc/97/66/28/350976628.db2.gz HFRKTERYBARNQR-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000176068112 351155909 /nfs/dbraw/zinc/15/59/09/351155909.db2.gz XLSLOZPQLZJFCS-UHFFFAOYSA-N 1 2 276.340 0.301 20 30 CCEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000181284063 351310778 /nfs/dbraw/zinc/31/07/78/351310778.db2.gz XXQBIHODNCSIAD-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO CN(C)c1noc(C[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000191508899 351762672 /nfs/dbraw/zinc/76/26/72/351762672.db2.gz RHDBMAIPFAVIOX-UHFFFAOYSA-N 1 2 260.301 0.636 20 30 CCEDLO C=CC[NH+]1CCC(NC(=O)CSc2nc(C)n[nH]2)CC1 ZINC000266834936 352724469 /nfs/dbraw/zinc/72/44/69/352724469.db2.gz LZZJYSYFCSXPSY-UHFFFAOYSA-N 1 2 295.412 0.972 20 30 CCEDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270865668 352997419 /nfs/dbraw/zinc/99/74/19/352997419.db2.gz KVWAQEXXPQMBOO-GFCCVEGCSA-N 1 2 273.336 0.583 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000277457663 353244326 /nfs/dbraw/zinc/24/43/26/353244326.db2.gz OSUCWTBJOKFLNF-ZDUSSCGKSA-N 1 2 262.353 0.486 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000283757090 353528409 /nfs/dbraw/zinc/52/84/09/353528409.db2.gz MDQBALMKYYBLCI-ZDUSSCGKSA-N 1 2 276.340 0.083 20 30 CCEDLO N#Cc1ncn(CCNc2cc(N3CCCC3)nc[nH+]2)n1 ZINC000286506179 353592031 /nfs/dbraw/zinc/59/20/31/353592031.db2.gz WUGHHIPQVOTFMM-UHFFFAOYSA-N 1 2 284.327 0.652 20 30 CCEDLO N#Cc1ncn(CCNc2cc(N3CCCC3)[nH+]cn2)n1 ZINC000286506179 353592038 /nfs/dbraw/zinc/59/20/38/353592038.db2.gz WUGHHIPQVOTFMM-UHFFFAOYSA-N 1 2 284.327 0.652 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nccnc1C#N ZINC000286278363 353574054 /nfs/dbraw/zinc/57/40/54/353574054.db2.gz HWDFTTAPBPGECD-VXGBXAGGSA-N 1 2 273.340 0.648 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000294260106 353883196 /nfs/dbraw/zinc/88/31/96/353883196.db2.gz ONGPIKJFRJQLGB-LLVKDONJSA-N 1 2 265.313 0.826 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000294323837 353887617 /nfs/dbraw/zinc/88/76/17/353887617.db2.gz HSSLZYYSVDYXRP-ZDUSSCGKSA-N 1 2 276.336 0.962 20 30 CCEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCCC(=O)N1 ZINC000618981424 366137910 /nfs/dbraw/zinc/13/79/10/366137910.db2.gz PCKFVCJUPQKPKW-SNVBAGLBSA-N 1 2 299.338 0.821 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297816415 353961667 /nfs/dbraw/zinc/96/16/67/353961667.db2.gz KBHKSGHJVWEYLJ-UHFFFAOYSA-N 1 2 288.351 0.375 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329561927 354258408 /nfs/dbraw/zinc/25/84/08/354258408.db2.gz MYFUEGONCJZXOX-QWRGUYRKSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1nnccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329561927 354258410 /nfs/dbraw/zinc/25/84/10/354258410.db2.gz MYFUEGONCJZXOX-QWRGUYRKSA-N 1 2 293.327 0.046 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000330321751 354320612 /nfs/dbraw/zinc/32/06/12/354320612.db2.gz GGJPPBIOTCWSRP-AWEZNQCLSA-N 1 2 296.371 0.285 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)s2)C1 ZINC000331095098 354447179 /nfs/dbraw/zinc/44/71/79/354447179.db2.gz AXHDNUNXCYSYQC-SECBINFHSA-N 1 2 265.338 0.680 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)s2)C1 ZINC000331095098 354447182 /nfs/dbraw/zinc/44/71/82/354447182.db2.gz AXHDNUNXCYSYQC-SECBINFHSA-N 1 2 265.338 0.680 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000336835272 355208365 /nfs/dbraw/zinc/20/83/65/355208365.db2.gz JJYMVQIORQUEGH-SNVBAGLBSA-N 1 2 291.336 0.517 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340226935 355532176 /nfs/dbraw/zinc/53/21/76/355532176.db2.gz ULWHWCIZDMSIFN-ZWNOBZJWSA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340226935 355532180 /nfs/dbraw/zinc/53/21/80/355532180.db2.gz ULWHWCIZDMSIFN-ZWNOBZJWSA-N 1 2 286.335 0.706 20 30 CCEDLO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)c(C#N)c[nH+]1 ZINC000425233273 235275230 /nfs/dbraw/zinc/27/52/30/235275230.db2.gz GISKKQCCDYLHSE-ZYHUDNBSSA-N 1 2 260.297 0.128 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000341337843 355655696 /nfs/dbraw/zinc/65/56/96/355655696.db2.gz FWVCQJXJNQZIMH-UHFFFAOYSA-N 1 2 273.340 0.130 20 30 CCEDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352908029 356109716 /nfs/dbraw/zinc/10/97/16/356109716.db2.gz XDAWTHAWYGNFPB-QMMMGPOBSA-N 1 2 252.343 0.971 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)nc1 ZINC000496232852 283140772 /nfs/dbraw/zinc/14/07/72/283140772.db2.gz JEEUFBBAMKHRHF-LBPRGKRZSA-N 1 2 258.281 0.590 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)nc1 ZINC000496232852 283140773 /nfs/dbraw/zinc/14/07/73/283140773.db2.gz JEEUFBBAMKHRHF-LBPRGKRZSA-N 1 2 258.281 0.590 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3COC[C@@H]3O)CCO2)c1 ZINC000361354694 138031304 /nfs/dbraw/zinc/03/13/04/138031304.db2.gz LEYSRTWJKFSBRN-KKUMJFAQSA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3COC[C@@H]3O)CCO2)c1 ZINC000361354694 138031305 /nfs/dbraw/zinc/03/13/05/138031305.db2.gz LEYSRTWJKFSBRN-KKUMJFAQSA-N 1 2 274.320 0.691 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1C#N ZINC000354589396 356446620 /nfs/dbraw/zinc/44/66/20/356446620.db2.gz YFMPBXGTHJOBDI-VIFPVBQESA-N 1 2 258.285 0.307 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)Cn1cccn1 ZINC000610391826 363554636 /nfs/dbraw/zinc/55/46/36/363554636.db2.gz UDCHXHQTUQCMFO-LBPRGKRZSA-N 1 2 252.318 0.106 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cn1cccn1 ZINC000610391826 363554637 /nfs/dbraw/zinc/55/46/37/363554637.db2.gz UDCHXHQTUQCMFO-LBPRGKRZSA-N 1 2 252.318 0.106 20 30 CCEDLO C=C[C@H](NCC(C)(C)[NH+]1CCOCC1)C(=O)OC ZINC000619699954 366324111 /nfs/dbraw/zinc/32/41/11/366324111.db2.gz SQXOUFFCJLTXPX-NSHDSACASA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000619700092 366325128 /nfs/dbraw/zinc/32/51/28/366325128.db2.gz WTVDXDDTHIZVNY-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C=C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)C(=O)OC ZINC000619703395 366328043 /nfs/dbraw/zinc/32/80/43/366328043.db2.gz LIQHMEIQLIFIKB-NSHDSACASA-N 1 2 275.370 0.519 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC)CC1 ZINC000619715963 366333227 /nfs/dbraw/zinc/33/32/27/366333227.db2.gz DSPLWJYQMHVJNB-GFCCVEGCSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000619718597 366338408 /nfs/dbraw/zinc/33/84/08/366338408.db2.gz RITORZLWTNVTIA-FRRDWIJNSA-N 1 2 283.368 0.966 20 30 CCEDLO COCC[N@H+](CCC#N)CCn1ccc([N+](=O)[O-])n1 ZINC000610486570 363564935 /nfs/dbraw/zinc/56/49/35/363564935.db2.gz REGOALMGZOTTLA-UHFFFAOYSA-N 1 2 267.289 0.653 20 30 CCEDLO COCC[N@@H+](CCC#N)CCn1ccc([N+](=O)[O-])n1 ZINC000610486570 363564941 /nfs/dbraw/zinc/56/49/41/363564941.db2.gz REGOALMGZOTTLA-UHFFFAOYSA-N 1 2 267.289 0.653 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604415 363584568 /nfs/dbraw/zinc/58/45/68/363584568.db2.gz RBSGIJIZTKKVAN-TXEJJXNPSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604415 363584562 /nfs/dbraw/zinc/58/45/62/363584562.db2.gz RBSGIJIZTKKVAN-TXEJJXNPSA-N 1 2 250.273 0.625 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000491202196 358292824 /nfs/dbraw/zinc/29/28/24/358292824.db2.gz MIIMJNJAKDPQIQ-UHFFFAOYSA-N 1 2 291.311 0.210 20 30 CCEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCF)c1=O ZINC000570107821 358824739 /nfs/dbraw/zinc/82/47/39/358824739.db2.gz QEERUHMAGYAUOP-UHFFFAOYSA-N 1 2 265.288 0.522 20 30 CCEDLO CC1(C)C[N@H+](CCNc2ncncc2C#N)CCO1 ZINC000573171456 358944210 /nfs/dbraw/zinc/94/42/10/358944210.db2.gz KKMVMMOPYZZYJP-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CC1(C)C[N@@H+](CCNc2ncncc2C#N)CCO1 ZINC000573171456 358944214 /nfs/dbraw/zinc/94/42/14/358944214.db2.gz KKMVMMOPYZZYJP-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CC(C)CN1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579844973 359054322 /nfs/dbraw/zinc/05/43/22/359054322.db2.gz SJESFDWCEVOBOD-WFASDCNBSA-N 1 2 294.399 0.451 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000588212808 359317861 /nfs/dbraw/zinc/31/78/61/359317861.db2.gz OVJLDUZEEDKJOU-NWDGAFQWSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000588212808 359317866 /nfs/dbraw/zinc/31/78/66/359317866.db2.gz OVJLDUZEEDKJOU-NWDGAFQWSA-N 1 2 266.341 0.658 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(O)cc(C#N)c2)CCO1 ZINC000589175213 359364547 /nfs/dbraw/zinc/36/45/47/359364547.db2.gz GRSFPQLDUHXFBY-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(O)cc(C#N)c2)CCO1 ZINC000589175213 359364549 /nfs/dbraw/zinc/36/45/49/359364549.db2.gz GRSFPQLDUHXFBY-LLVKDONJSA-N 1 2 289.335 0.714 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000589168612 359365185 /nfs/dbraw/zinc/36/51/85/359365185.db2.gz IPHFGAFKTCTWDQ-UHFFFAOYSA-N 1 2 256.265 0.890 20 30 CCEDLO Cc1nc2n(n1)CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610994556 363645647 /nfs/dbraw/zinc/64/56/47/363645647.db2.gz KFPMBNCZOXALEV-UHFFFAOYSA-N 1 2 254.297 0.869 20 30 CCEDLO Cc1nc2n(n1)CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610994556 363645650 /nfs/dbraw/zinc/64/56/50/363645650.db2.gz KFPMBNCZOXALEV-UHFFFAOYSA-N 1 2 254.297 0.869 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000590192009 359428968 /nfs/dbraw/zinc/42/89/68/359428968.db2.gz SXIMSZPFLFZPII-VXGBXAGGSA-N 1 2 280.328 0.135 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000590192009 359428973 /nfs/dbraw/zinc/42/89/73/359428973.db2.gz SXIMSZPFLFZPII-VXGBXAGGSA-N 1 2 280.328 0.135 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccnc1C#N ZINC000589584278 359391303 /nfs/dbraw/zinc/39/13/03/359391303.db2.gz OIFPZZPYKMJSBK-LBPRGKRZSA-N 1 2 276.340 0.083 20 30 CCEDLO Cc1cc(C)n(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000589826961 359402561 /nfs/dbraw/zinc/40/25/61/359402561.db2.gz LXNOBHKJVNHEAO-ZDUSSCGKSA-N 1 2 263.345 0.460 20 30 CCEDLO CCC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827772 359403273 /nfs/dbraw/zinc/40/32/73/359403273.db2.gz AXNIRCLOYZPRIL-GWCFXTLKSA-N 1 2 298.412 0.258 20 30 CCEDLO C[C@@H](O)CNc1cc(N2CC[C@](O)(CC#N)C2)nc[nH+]1 ZINC000591976957 359717516 /nfs/dbraw/zinc/71/75/16/359717516.db2.gz YJQQZAJLHKIZDE-ZWNOBZJWSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@@H](O)CNc1cc(N2CC[C@](O)(CC#N)C2)[nH+]cn1 ZINC000591976957 359717522 /nfs/dbraw/zinc/71/75/22/359717522.db2.gz YJQQZAJLHKIZDE-ZWNOBZJWSA-N 1 2 277.328 0.124 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000591987139 359719872 /nfs/dbraw/zinc/71/98/72/359719872.db2.gz WFLFJPUNIJAUHY-HNNXBMFYSA-N 1 2 299.334 0.894 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152435 359770697 /nfs/dbraw/zinc/77/06/97/359770697.db2.gz XTDBHTTVCDJEKE-KOLCDFICSA-N 1 2 291.273 0.500 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152435 359770699 /nfs/dbraw/zinc/77/06/99/359770699.db2.gz XTDBHTTVCDJEKE-KOLCDFICSA-N 1 2 291.273 0.500 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147200 359765244 /nfs/dbraw/zinc/76/52/44/359765244.db2.gz JINANVUQYZCLLP-KBPBESRZSA-N 1 2 278.356 0.391 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147200 359765248 /nfs/dbraw/zinc/76/52/48/359765248.db2.gz JINANVUQYZCLLP-KBPBESRZSA-N 1 2 278.356 0.391 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148076 359767207 /nfs/dbraw/zinc/76/72/07/359767207.db2.gz QTBKXVPWAWRUQI-FZMZJTMJSA-N 1 2 296.371 0.207 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148076 359767209 /nfs/dbraw/zinc/76/72/09/359767209.db2.gz QTBKXVPWAWRUQI-FZMZJTMJSA-N 1 2 296.371 0.207 20 30 CCEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611175770 363672082 /nfs/dbraw/zinc/67/20/82/363672082.db2.gz KAJQGXXHCDMRRA-AWEZNQCLSA-N 1 2 278.400 0.776 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000593155733 360048216 /nfs/dbraw/zinc/04/82/16/360048216.db2.gz XPPAAKCBVYNEEQ-XHDPSFHLSA-N 1 2 294.399 0.593 20 30 CCEDLO CCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)co1 ZINC000593154787 360048540 /nfs/dbraw/zinc/04/85/40/360048540.db2.gz DTFDQXZWUXNROV-GFCCVEGCSA-N 1 2 250.302 0.811 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000593063336 360026657 /nfs/dbraw/zinc/02/66/57/360026657.db2.gz LTBXCHGGZKWWMY-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000593063336 360026661 /nfs/dbraw/zinc/02/66/61/360026661.db2.gz LTBXCHGGZKWWMY-QWRGUYRKSA-N 1 2 269.345 0.498 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593520501 360105918 /nfs/dbraw/zinc/10/59/18/360105918.db2.gz PKDKUWMEDSIGNX-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000593921258 360216381 /nfs/dbraw/zinc/21/63/81/360216381.db2.gz TYQPIKVUCPDICL-LLVKDONJSA-N 1 2 284.319 0.354 20 30 CCEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000594024236 360237083 /nfs/dbraw/zinc/23/70/83/360237083.db2.gz HBQJIVNUSMKPEO-LBPRGKRZSA-N 1 2 251.286 0.862 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CCCCC#N)CCO1 ZINC000594259707 360266142 /nfs/dbraw/zinc/26/61/42/360266142.db2.gz DIGOBLURDMYANJ-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CCCCC#N)CCO1 ZINC000594259707 360266150 /nfs/dbraw/zinc/26/61/50/360266150.db2.gz DIGOBLURDMYANJ-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C=CCNC(=O)CN1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000177211948 189036626 /nfs/dbraw/zinc/03/66/26/189036626.db2.gz YJCXJXINAMWTMB-NSHDSACASA-N 1 2 282.413 0.398 20 30 CCEDLO N#CCC1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC1 ZINC000594653031 360352096 /nfs/dbraw/zinc/35/20/96/360352096.db2.gz XBRHIYWDDQVWPE-UHFFFAOYSA-N 1 2 275.356 0.847 20 30 CCEDLO CCCCNC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611428974 363717171 /nfs/dbraw/zinc/71/71/71/363717171.db2.gz PLNUOSZKKZQAIU-UHFFFAOYSA-N 1 2 278.400 0.824 20 30 CCEDLO C[NH+]1CCN(C(=O)CSc2ccncc2C#N)CC1 ZINC000594909535 360413670 /nfs/dbraw/zinc/41/36/70/360413670.db2.gz OFJQXRGWKSLDBX-UHFFFAOYSA-N 1 2 276.365 0.819 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000594967336 360428156 /nfs/dbraw/zinc/42/81/56/360428156.db2.gz WOJAEMFUHCHSQV-OLZOCXBDSA-N 1 2 298.339 0.599 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552255 360577340 /nfs/dbraw/zinc/57/73/40/360577340.db2.gz RKQOFMJMFPDCTN-HIFRSBDPSA-N 1 2 293.415 0.567 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCn2c[nH+]cc2C1 ZINC000595492522 360549450 /nfs/dbraw/zinc/54/94/50/360549450.db2.gz WQFPHSJAQKJBOD-NSHDSACASA-N 1 2 273.340 0.650 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595757669 360642573 /nfs/dbraw/zinc/64/25/73/360642573.db2.gz OZVFHGJTMBDVAE-KCQAQPDRSA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595757669 360642579 /nfs/dbraw/zinc/64/25/79/360642579.db2.gz OZVFHGJTMBDVAE-KCQAQPDRSA-N 1 2 271.320 0.541 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840824 360676165 /nfs/dbraw/zinc/67/61/65/360676165.db2.gz GBPWZDNUEGDXIR-WFASDCNBSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840824 360676170 /nfs/dbraw/zinc/67/61/70/360676170.db2.gz GBPWZDNUEGDXIR-WFASDCNBSA-N 1 2 293.367 0.776 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178632031 189132782 /nfs/dbraw/zinc/13/27/82/189132782.db2.gz REOWKVNKLGENCI-OAHLLOKOSA-N 1 2 284.363 0.217 20 30 CCEDLO Cn1ncc(C#N)c1NCC1([NH+]2CCOCC2)CC1 ZINC000596210394 360836387 /nfs/dbraw/zinc/83/63/87/360836387.db2.gz IQQVADGWTLSKIK-UHFFFAOYSA-N 1 2 261.329 0.568 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)C3CC3)CC2)cc1 ZINC000596659421 360938434 /nfs/dbraw/zinc/93/84/34/360938434.db2.gz YUGJJNKWGPPJJI-INIZCTEOSA-N 1 2 299.374 0.973 20 30 CCEDLO CN1CC[N@H+](Cc2cnc3ccc(C#N)cn23)CCC1=O ZINC000597213613 361032273 /nfs/dbraw/zinc/03/22/73/361032273.db2.gz FSHDRFZAWBVDPZ-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO CN1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CCC1=O ZINC000597213613 361032276 /nfs/dbraw/zinc/03/22/76/361032276.db2.gz FSHDRFZAWBVDPZ-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000597233885 361038248 /nfs/dbraw/zinc/03/82/48/361038248.db2.gz BYRXPLCCAMAPEN-NEPJUHHUSA-N 1 2 252.362 0.288 20 30 CCEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611652796 363755178 /nfs/dbraw/zinc/75/51/78/363755178.db2.gz UDTIYRPWCLUGEI-UHFFFAOYSA-N 1 2 285.307 0.939 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621357669 366747397 /nfs/dbraw/zinc/74/73/97/366747397.db2.gz VYFPDSRQGBBKTK-CYBMUJFWSA-N 1 2 294.376 0.548 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617448 361459992 /nfs/dbraw/zinc/45/99/92/361459992.db2.gz RNLRWUQVCVJEGU-WDEREUQCSA-N 1 2 293.371 0.990 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000598617448 361459997 /nfs/dbraw/zinc/45/99/97/361459997.db2.gz RNLRWUQVCVJEGU-WDEREUQCSA-N 1 2 293.371 0.990 20 30 CCEDLO CC[C@@](COC)([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598620677 361460939 /nfs/dbraw/zinc/46/09/39/361460939.db2.gz MXHZHMIFVUXNFU-RISCZKNCSA-N 1 2 286.372 0.845 20 30 CCEDLO N#Cc1nc(NC(=O)CC[C@H]2CCC[NH2+]C2)[nH]c1C#N ZINC000598664626 361475817 /nfs/dbraw/zinc/47/58/17/361475817.db2.gz HWLCQUGUBKSTHL-SECBINFHSA-N 1 2 272.312 0.871 20 30 CCEDLO COCCN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598602054 361456543 /nfs/dbraw/zinc/45/65/43/361456543.db2.gz ZSRRIEXTICXAQL-LBPRGKRZSA-N 1 2 283.372 0.078 20 30 CCEDLO COCCN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598602054 361456547 /nfs/dbraw/zinc/45/65/47/361456547.db2.gz ZSRRIEXTICXAQL-LBPRGKRZSA-N 1 2 283.372 0.078 20 30 CCEDLO C=CCSCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000598979077 361544395 /nfs/dbraw/zinc/54/43/95/361544395.db2.gz VFABOVKGOBKOHC-LLVKDONJSA-N 1 2 273.402 0.535 20 30 CCEDLO C=CCSCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000598979077 361544400 /nfs/dbraw/zinc/54/44/00/361544400.db2.gz VFABOVKGOBKOHC-LLVKDONJSA-N 1 2 273.402 0.535 20 30 CCEDLO C=CCSCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000598979078 361544439 /nfs/dbraw/zinc/54/44/39/361544439.db2.gz VFABOVKGOBKOHC-NSHDSACASA-N 1 2 273.402 0.535 20 30 CCEDLO C=CCSCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000598979078 361544443 /nfs/dbraw/zinc/54/44/43/361544443.db2.gz VFABOVKGOBKOHC-NSHDSACASA-N 1 2 273.402 0.535 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)COCC2 ZINC000599161591 361592679 /nfs/dbraw/zinc/59/26/79/361592679.db2.gz TYXMTQDAEJUAKQ-ZDUSSCGKSA-N 1 2 288.351 0.190 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)COCC2 ZINC000599161591 361592681 /nfs/dbraw/zinc/59/26/81/361592681.db2.gz TYXMTQDAEJUAKQ-ZDUSSCGKSA-N 1 2 288.351 0.190 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1C#N ZINC000599277156 361630477 /nfs/dbraw/zinc/63/04/77/361630477.db2.gz KBJGJWFCYLLDOC-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1C#N ZINC000599277156 361630479 /nfs/dbraw/zinc/63/04/79/361630479.db2.gz KBJGJWFCYLLDOC-CYBMUJFWSA-N 1 2 259.309 0.553 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1cnc(C(=O)OC)cn1 ZINC000599389795 361681385 /nfs/dbraw/zinc/68/13/85/361681385.db2.gz AZVOPQOFOLCBCD-UHFFFAOYSA-N 1 2 265.313 0.898 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1cnc(C(=O)OC)cn1 ZINC000599389795 361681388 /nfs/dbraw/zinc/68/13/88/361681388.db2.gz AZVOPQOFOLCBCD-UHFFFAOYSA-N 1 2 265.313 0.898 20 30 CCEDLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599393568 361684493 /nfs/dbraw/zinc/68/44/93/361684493.db2.gz JGHVTRUYMYEEJW-WCQYABFASA-N 1 2 292.335 0.791 20 30 CCEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599393568 361684499 /nfs/dbraw/zinc/68/44/99/361684499.db2.gz JGHVTRUYMYEEJW-WCQYABFASA-N 1 2 292.335 0.791 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401594 361686075 /nfs/dbraw/zinc/68/60/75/361686075.db2.gz XPXANUXDJWVYBF-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(=O)N1C ZINC000599401594 361686080 /nfs/dbraw/zinc/68/60/80/361686080.db2.gz XPXANUXDJWVYBF-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166888 363858765 /nfs/dbraw/zinc/85/87/65/363858765.db2.gz XXARLPKMLSBQDO-QMTHXVAHSA-N 1 2 278.356 0.989 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166888 363858767 /nfs/dbraw/zinc/85/87/67/363858767.db2.gz XXARLPKMLSBQDO-QMTHXVAHSA-N 1 2 278.356 0.989 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615557229 365006704 /nfs/dbraw/zinc/00/67/04/365006704.db2.gz HOQAYCLNNZQOIC-JSGCOSHPSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006454 368394340 /nfs/dbraw/zinc/39/43/40/368394340.db2.gz YITUQOMYAKZCIT-VXGBXAGGSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](CCF)C2)C1=O ZINC000626006454 368394344 /nfs/dbraw/zinc/39/43/44/368394344.db2.gz YITUQOMYAKZCIT-VXGBXAGGSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@](C)(COC)C2)C1=O ZINC000626176645 368475794 /nfs/dbraw/zinc/47/57/94/368475794.db2.gz TZKJLLPUQLLNAO-JSGCOSHPSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@](C)(COC)C2)C1=O ZINC000626176645 368475797 /nfs/dbraw/zinc/47/57/97/368475797.db2.gz TZKJLLPUQLLNAO-JSGCOSHPSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000626844779 368659212 /nfs/dbraw/zinc/65/92/12/368659212.db2.gz RSHFTPDVIYJGGI-SNVBAGLBSA-N 1 2 274.324 0.857 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632178442 370907144 /nfs/dbraw/zinc/90/71/44/370907144.db2.gz TXMSRKIBKCCIPB-GFCCVEGCSA-N 1 2 274.386 0.297 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632178442 370907150 /nfs/dbraw/zinc/90/71/50/370907150.db2.gz TXMSRKIBKCCIPB-GFCCVEGCSA-N 1 2 274.386 0.297 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574253605 335004278 /nfs/dbraw/zinc/00/42/78/335004278.db2.gz FJAJXTSPDZXJLT-DGCLKSJQSA-N 1 2 253.346 0.928 20 30 CCEDLO C=CC[C@@H](CC)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632301710 370973156 /nfs/dbraw/zinc/97/31/56/370973156.db2.gz LGBKVSNYKCKQLX-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CC[C@@H](CC)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632301710 370973162 /nfs/dbraw/zinc/97/31/62/370973162.db2.gz LGBKVSNYKCKQLX-NEPJUHHUSA-N 1 2 276.402 0.591 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccon1 ZINC000574445128 335019450 /nfs/dbraw/zinc/01/94/50/335019450.db2.gz QSTSLNCHCJCDBQ-MNOVXSKESA-N 1 2 252.318 0.532 20 30 CCEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccon1 ZINC000574445128 335019451 /nfs/dbraw/zinc/01/94/51/335019451.db2.gz QSTSLNCHCJCDBQ-MNOVXSKESA-N 1 2 252.318 0.532 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000637233231 374032979 /nfs/dbraw/zinc/03/29/79/374032979.db2.gz DXWDVDBGRGDXRI-JTQLQIEISA-N 1 2 287.327 0.085 20 30 CCEDLO C=CCCCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638394861 374988892 /nfs/dbraw/zinc/98/88/92/374988892.db2.gz LJPLLLSFGZWVJE-GFCCVEGCSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CC[N@@H+](CCOC)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000639100327 375577863 /nfs/dbraw/zinc/57/78/63/375577863.db2.gz NUGAEEAZEOXUKE-CYBMUJFWSA-N 1 2 280.372 0.949 20 30 CCEDLO C=CC[N@H+](CCOC)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000639100327 375577868 /nfs/dbraw/zinc/57/78/68/375577868.db2.gz NUGAEEAZEOXUKE-CYBMUJFWSA-N 1 2 280.372 0.949 20 30 CCEDLO COCC#CC[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639772489 376004627 /nfs/dbraw/zinc/00/46/27/376004627.db2.gz OVHRTOIKUAQWRO-LBPRGKRZSA-N 1 2 265.357 0.719 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640885586 376600473 /nfs/dbraw/zinc/60/04/73/376600473.db2.gz JZSDQIJLOMRTFL-JTQLQIEISA-N 1 2 260.301 0.386 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ncccn2)nn1 ZINC000640827921 376567361 /nfs/dbraw/zinc/56/73/61/376567361.db2.gz BWVMNDCPTGVINT-NSHDSACASA-N 1 2 299.338 0.381 20 30 CCEDLO CC#CCNCc1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156505 376818580 /nfs/dbraw/zinc/81/85/80/376818580.db2.gz UAVGJFMUBZHVKP-UHFFFAOYSA-N 1 2 258.329 0.779 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641212478 376892597 /nfs/dbraw/zinc/89/25/97/376892597.db2.gz LIZFBDQCLASYRX-CYBMUJFWSA-N 1 2 268.361 0.683 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000641212478 376892604 /nfs/dbraw/zinc/89/26/04/376892604.db2.gz LIZFBDQCLASYRX-CYBMUJFWSA-N 1 2 268.361 0.683 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CC(F)(F)F)nn1 ZINC000641212581 376892792 /nfs/dbraw/zinc/89/27/92/376892792.db2.gz MGZWMMABSKKKKE-SNVBAGLBSA-N 1 2 276.262 0.704 20 30 CCEDLO C=C1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641322309 376995885 /nfs/dbraw/zinc/99/58/85/376995885.db2.gz ATSTVYUEPRYMOK-UHFFFAOYSA-N 1 2 255.343 0.865 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641474719 377156026 /nfs/dbraw/zinc/15/60/26/377156026.db2.gz VALQDHDMIVCSMX-OLZOCXBDSA-N 1 2 299.396 0.784 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641524859 377219980 /nfs/dbraw/zinc/21/99/80/377219980.db2.gz RWHJFXWQJOOUHG-NEPJUHHUSA-N 1 2 285.369 0.536 20 30 CCEDLO N#Cc1cncnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000515091696 249120439 /nfs/dbraw/zinc/12/04/39/249120439.db2.gz OIBRKELBPXCABQ-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC000278976131 194236897 /nfs/dbraw/zinc/23/68/97/194236897.db2.gz ZYGYBIJUCKITHG-NSHDSACASA-N 1 2 276.340 0.679 20 30 CCEDLO C=CCCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000279038317 194259846 /nfs/dbraw/zinc/25/98/46/194259846.db2.gz AAEHVPQPYVCZIJ-UHFFFAOYSA-N 1 2 282.388 0.544 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000280670433 194923467 /nfs/dbraw/zinc/92/34/67/194923467.db2.gz YHQCOVXPPIQXGQ-JTQLQIEISA-N 1 2 277.324 0.910 20 30 CCEDLO C=CC[C@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657426959 412989932 /nfs/dbraw/zinc/98/99/32/412989932.db2.gz MXDDJWMJARNQNV-JTQLQIEISA-N 1 2 253.350 0.702 20 30 CCEDLO Cc1nsc(NC[C@@H]2C[NH+]3CCN2CC3)c1C#N ZINC000288829109 197174146 /nfs/dbraw/zinc/17/41/46/197174146.db2.gz IXDMBHYWGRQRPV-SNVBAGLBSA-N 1 2 263.370 0.735 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407950453 260012494 /nfs/dbraw/zinc/01/24/94/260012494.db2.gz BEGSFKVCAKHFAK-YPMHNXCESA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407950453 260012496 /nfs/dbraw/zinc/01/24/96/260012496.db2.gz BEGSFKVCAKHFAK-YPMHNXCESA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407950452 260012243 /nfs/dbraw/zinc/01/22/43/260012243.db2.gz BEGSFKVCAKHFAK-WCQYABFASA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407950452 260012244 /nfs/dbraw/zinc/01/22/44/260012244.db2.gz BEGSFKVCAKHFAK-WCQYABFASA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000285784441 388797312 /nfs/dbraw/zinc/79/73/12/388797312.db2.gz SUDHUJCBDKBGQF-BXUZGUMPSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285876630 388809071 /nfs/dbraw/zinc/80/90/71/388809071.db2.gz IJGZXXNXPIUOHX-NEPJUHHUSA-N 1 2 280.372 0.165 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285876630 388809074 /nfs/dbraw/zinc/80/90/74/388809074.db2.gz IJGZXXNXPIUOHX-NEPJUHHUSA-N 1 2 280.372 0.165 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284070716 388772079 /nfs/dbraw/zinc/77/20/79/388772079.db2.gz URVNPJDMYFXRGE-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284089881 388773724 /nfs/dbraw/zinc/77/37/24/388773724.db2.gz USPNSUAGZWPXIK-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284168833 388774466 /nfs/dbraw/zinc/77/44/66/388774466.db2.gz YZFLEGZDOBSYCB-UHFFFAOYSA-N 1 2 250.302 0.034 20 30 CCEDLO C#CCC[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000285016057 388786867 /nfs/dbraw/zinc/78/68/67/388786867.db2.gz ZKLMFDCDUVYYCT-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO C#CCC[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000285016057 388786870 /nfs/dbraw/zinc/78/68/70/388786870.db2.gz ZKLMFDCDUVYYCT-UHFFFAOYSA-N 1 2 278.377 0.976 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133803 388788104 /nfs/dbraw/zinc/78/81/04/388788104.db2.gz KHEZVSYFBDQTAL-UKRRQHHQSA-N 1 2 295.383 0.486 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133803 388788108 /nfs/dbraw/zinc/78/81/08/388788108.db2.gz KHEZVSYFBDQTAL-UKRRQHHQSA-N 1 2 295.383 0.486 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286773414 388846052 /nfs/dbraw/zinc/84/60/52/388846052.db2.gz IKIAKWMYOQHVIW-UHFFFAOYSA-N 1 2 264.329 0.461 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286956828 388847728 /nfs/dbraw/zinc/84/77/28/388847728.db2.gz OSBSAJTWWWCGEJ-GXFFZTMASA-N 1 2 287.335 0.183 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286956828 388847732 /nfs/dbraw/zinc/84/77/32/388847732.db2.gz OSBSAJTWWWCGEJ-GXFFZTMASA-N 1 2 287.335 0.183 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000290307244 388903323 /nfs/dbraw/zinc/90/33/23/388903323.db2.gz ALWDYYSYNINLCW-DOMZBBRYSA-N 1 2 292.383 0.562 20 30 CCEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290531143 388905994 /nfs/dbraw/zinc/90/59/94/388905994.db2.gz OCTAPRJNKFZQAZ-LBPRGKRZSA-N 1 2 288.351 0.421 20 30 CCEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292824817 388961536 /nfs/dbraw/zinc/96/15/36/388961536.db2.gz QLWCXPADHIHKKG-SNVBAGLBSA-N 1 2 283.353 0.617 20 30 CCEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292824817 388961539 /nfs/dbraw/zinc/96/15/39/388961539.db2.gz QLWCXPADHIHKKG-SNVBAGLBSA-N 1 2 283.353 0.617 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000065588532 388943560 /nfs/dbraw/zinc/94/35/60/388943560.db2.gz ZPJUEPQFPPUQJZ-CYBMUJFWSA-N 1 2 278.356 0.753 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000065588532 388943562 /nfs/dbraw/zinc/94/35/62/388943562.db2.gz ZPJUEPQFPPUQJZ-CYBMUJFWSA-N 1 2 278.356 0.753 20 30 CCEDLO C=CCOCC[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293509713 388983789 /nfs/dbraw/zinc/98/37/89/388983789.db2.gz HYPYMNYXDINLMZ-UHFFFAOYSA-N 1 2 266.345 0.485 20 30 CCEDLO C=CCOCC[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000293509713 388983793 /nfs/dbraw/zinc/98/37/93/388983793.db2.gz HYPYMNYXDINLMZ-UHFFFAOYSA-N 1 2 266.345 0.485 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000076185918 388986240 /nfs/dbraw/zinc/98/62/40/388986240.db2.gz LECGUCSJJHHCLU-ZIAGYGMSSA-N 1 2 289.379 0.959 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076185996 388986398 /nfs/dbraw/zinc/98/63/98/388986398.db2.gz KQRSHEZBHUJIBB-GJZGRUSLSA-N 1 2 274.364 0.725 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnccn1 ZINC000080980498 388998988 /nfs/dbraw/zinc/99/89/88/388998988.db2.gz BMLBPHQUPCKCSB-JTQLQIEISA-N 1 2 277.328 0.309 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080980498 388998989 /nfs/dbraw/zinc/99/89/89/388998989.db2.gz BMLBPHQUPCKCSB-JTQLQIEISA-N 1 2 277.328 0.309 20 30 CCEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735155 389030625 /nfs/dbraw/zinc/03/06/25/389030625.db2.gz HGIJEYDHFWFENY-FZMZJTMJSA-N 1 2 289.335 0.664 20 30 CCEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092735155 389030630 /nfs/dbraw/zinc/03/06/30/389030630.db2.gz HGIJEYDHFWFENY-FZMZJTMJSA-N 1 2 289.335 0.664 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000354280362 389019602 /nfs/dbraw/zinc/01/96/02/389019602.db2.gz DAEQSGFBFUAYJQ-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000354280362 389019604 /nfs/dbraw/zinc/01/96/04/389019604.db2.gz DAEQSGFBFUAYJQ-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192029853 389024757 /nfs/dbraw/zinc/02/47/57/389024757.db2.gz KXKXTZQCUZKPLZ-AWEZNQCLSA-N 1 2 278.377 0.662 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192029853 389024759 /nfs/dbraw/zinc/02/47/59/389024759.db2.gz KXKXTZQCUZKPLZ-AWEZNQCLSA-N 1 2 278.377 0.662 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN([C@@H](C)CO)CC2)C1=O ZINC000337205449 389054639 /nfs/dbraw/zinc/05/46/39/389054639.db2.gz KOZZZHIEZMJPNF-UONOGXRCSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCCN([C@@H](C)CO)CC2)C1=O ZINC000337205449 389054643 /nfs/dbraw/zinc/05/46/43/389054643.db2.gz KOZZZHIEZMJPNF-UONOGXRCSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)C(=O)[C@@H]2CC)C1=O ZINC000337208144 389055722 /nfs/dbraw/zinc/05/57/22/389055722.db2.gz PZDIWJHLDFAFKF-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)C(=O)[C@@H]2CC)C1=O ZINC000337208144 389055725 /nfs/dbraw/zinc/05/57/25/389055725.db2.gz PZDIWJHLDFAFKF-STQMWFEESA-N 1 2 279.384 0.716 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219592 389056349 /nfs/dbraw/zinc/05/63/49/389056349.db2.gz JYDRLJGEZKUPBF-STQMWFEESA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C3CC3)C2=O)C1=O ZINC000337219592 389056353 /nfs/dbraw/zinc/05/63/53/389056353.db2.gz JYDRLJGEZKUPBF-STQMWFEESA-N 1 2 277.368 0.468 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337232848 389057317 /nfs/dbraw/zinc/05/73/17/389057317.db2.gz VXPGAVXJWYZMKJ-NEPJUHHUSA-N 1 2 288.413 0.386 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)C1=O ZINC000337232848 389057320 /nfs/dbraw/zinc/05/73/20/389057320.db2.gz VXPGAVXJWYZMKJ-NEPJUHHUSA-N 1 2 288.413 0.386 20 30 CCEDLO N#Cc1ccc2nc(N3CC[NH+](CC(N)=O)CC3)ccc2c1 ZINC000301837003 389059739 /nfs/dbraw/zinc/05/97/39/389059739.db2.gz XUMXKEBHSZFRMP-UHFFFAOYSA-N 1 2 295.346 0.714 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193769705 389079560 /nfs/dbraw/zinc/07/95/60/389079560.db2.gz YGBXQBKETNDESH-CYBMUJFWSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193769705 389079564 /nfs/dbraw/zinc/07/95/64/389079564.db2.gz YGBXQBKETNDESH-CYBMUJFWSA-N 1 2 295.383 0.048 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000336940830 389034811 /nfs/dbraw/zinc/03/48/11/389034811.db2.gz JJSDUWRBCKFOGU-UHFFFAOYSA-N 1 2 297.384 0.563 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358291902 389147260 /nfs/dbraw/zinc/14/72/60/389147260.db2.gz USXAYMYWUXXUIX-UWVGGRQHSA-N 1 2 264.329 0.503 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358291902 389147264 /nfs/dbraw/zinc/14/72/64/389147264.db2.gz USXAYMYWUXXUIX-UWVGGRQHSA-N 1 2 264.329 0.503 20 30 CCEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)NCC#N)C2 ZINC000108868095 389099332 /nfs/dbraw/zinc/09/93/32/389099332.db2.gz UYXYNTDHMZUSSM-UHFFFAOYSA-N 1 2 275.356 0.541 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@H]2CC(=O)N(C)C2=O)C1=O ZINC000338320563 389108426 /nfs/dbraw/zinc/10/84/26/389108426.db2.gz MLDGFLHUCUJDKV-NEPJUHHUSA-N 1 2 293.367 0.243 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@H]2CC(=O)N(C)C2=O)C1=O ZINC000338320563 389108429 /nfs/dbraw/zinc/10/84/29/389108429.db2.gz MLDGFLHUCUJDKV-NEPJUHHUSA-N 1 2 293.367 0.243 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338592412 389112934 /nfs/dbraw/zinc/11/29/34/389112934.db2.gz ZNMUJXYFEDKTAE-OCCSQVGLSA-N 1 2 270.348 0.982 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338592412 389112937 /nfs/dbraw/zinc/11/29/37/389112937.db2.gz ZNMUJXYFEDKTAE-OCCSQVGLSA-N 1 2 270.348 0.982 20 30 CCEDLO O=C(CNC(=O)[C@@H]1CCOC1)NCC[NH+]1CCOCC1 ZINC000329238515 227372396 /nfs/dbraw/zinc/37/23/96/227372396.db2.gz PRUNHWAMQUKJNM-LLVKDONJSA-N 1 2 285.344 0.268 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)[NH+]1C ZINC000339065220 389124403 /nfs/dbraw/zinc/12/44/03/389124403.db2.gz CTNBPSOSXJGSSN-QWRGUYRKSA-N 1 2 274.390 0.101 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CC)CCC#N ZINC000339083430 389125102 /nfs/dbraw/zinc/12/51/02/389125102.db2.gz JEXJLHWCYCDJGY-UHFFFAOYSA-N 1 2 268.361 0.336 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CC)CCC#N ZINC000339083430 389125104 /nfs/dbraw/zinc/12/51/04/389125104.db2.gz JEXJLHWCYCDJGY-UHFFFAOYSA-N 1 2 268.361 0.336 20 30 CCEDLO CNC(=O)C1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328679011 389132071 /nfs/dbraw/zinc/13/20/71/389132071.db2.gz MUORUSDIGDYQQV-UHFFFAOYSA-N 1 2 269.345 0.142 20 30 CCEDLO COCC(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000328791683 389137948 /nfs/dbraw/zinc/13/79/48/389137948.db2.gz QXYSMIOWNGWGDJ-UHFFFAOYSA-N 1 2 280.328 0.166 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC000328780908 389138194 /nfs/dbraw/zinc/13/81/94/389138194.db2.gz MRGNPBRRVSKVRT-VXGBXAGGSA-N 1 2 294.355 0.539 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000357830341 389139214 /nfs/dbraw/zinc/13/92/14/389139214.db2.gz PVGOIMQBOQEWMA-GFCCVEGCSA-N 1 2 258.325 0.885 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773972 389139775 /nfs/dbraw/zinc/13/97/75/389139775.db2.gz VKPXLGAMHVLRNN-ZDUSSCGKSA-N 1 2 295.383 0.889 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773972 389139777 /nfs/dbraw/zinc/13/97/77/389139777.db2.gz VKPXLGAMHVLRNN-ZDUSSCGKSA-N 1 2 295.383 0.889 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000328830503 389140424 /nfs/dbraw/zinc/14/04/24/389140424.db2.gz UXYCOLQTWYEQOA-ZDUSSCGKSA-N 1 2 297.399 0.734 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCC3(O)CCC3)C[C@@H]21 ZINC000328870710 389142389 /nfs/dbraw/zinc/14/23/89/389142389.db2.gz ICKIYEAUWGCWEL-NWDGAFQWSA-N 1 2 283.372 0.220 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCC3(O)CCC3)C[C@@H]21 ZINC000328870710 389142391 /nfs/dbraw/zinc/14/23/91/389142391.db2.gz ICKIYEAUWGCWEL-NWDGAFQWSA-N 1 2 283.372 0.220 20 30 CCEDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1nncs1 ZINC000329680175 389187122 /nfs/dbraw/zinc/18/71/22/389187122.db2.gz XSCWFQJLNCSZML-DJLDLDEBSA-N 1 2 268.342 0.829 20 30 CCEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1nncs1 ZINC000329680175 389187124 /nfs/dbraw/zinc/18/71/24/389187124.db2.gz XSCWFQJLNCSZML-DJLDLDEBSA-N 1 2 268.342 0.829 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCOC1 ZINC000329742579 389194962 /nfs/dbraw/zinc/19/49/62/389194962.db2.gz PNECWYWVTQYYQU-QWHCGFSZSA-N 1 2 285.388 0.732 20 30 CCEDLO N#C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329745775 389195956 /nfs/dbraw/zinc/19/59/56/389195956.db2.gz RLBBBSMLOSQSKJ-NXEZZACHSA-N 1 2 275.312 0.405 20 30 CCEDLO N#C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329745775 389195957 /nfs/dbraw/zinc/19/59/57/389195957.db2.gz RLBBBSMLOSQSKJ-NXEZZACHSA-N 1 2 275.312 0.405 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360489650 389198458 /nfs/dbraw/zinc/19/84/58/389198458.db2.gz HKPXBLZVOCOWLU-IUCAKERBSA-N 1 2 250.302 0.113 20 30 CCEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360489650 389198459 /nfs/dbraw/zinc/19/84/59/389198459.db2.gz HKPXBLZVOCOWLU-IUCAKERBSA-N 1 2 250.302 0.113 20 30 CCEDLO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329771275 389198798 /nfs/dbraw/zinc/19/87/98/389198798.db2.gz GSCKYZPIKLDAJX-NSHDSACASA-N 1 2 289.401 0.115 20 30 CCEDLO C[N@H+]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329771275 389198800 /nfs/dbraw/zinc/19/88/00/389198800.db2.gz GSCKYZPIKLDAJX-NSHDSACASA-N 1 2 289.401 0.115 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329804717 389202829 /nfs/dbraw/zinc/20/28/29/389202829.db2.gz MGEKPZMAIJUHTA-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1cccnc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329804717 389202830 /nfs/dbraw/zinc/20/28/30/389202830.db2.gz MGEKPZMAIJUHTA-NWDGAFQWSA-N 1 2 276.340 0.950 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccnc2C)CC1 ZINC000122247186 389151745 /nfs/dbraw/zinc/15/17/45/389151745.db2.gz MTCLUJYPEWTWEK-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO O=C(CNC(=O)[C@@H]1CCCOC1)NCC[NH+]1CCOCC1 ZINC000329342501 389158586 /nfs/dbraw/zinc/15/85/86/389158586.db2.gz BXLDLDLKEIGWAX-GFCCVEGCSA-N 1 2 299.371 0.658 20 30 CCEDLO O=C(NCC1(CO)COC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329374167 389160525 /nfs/dbraw/zinc/16/05/25/389160525.db2.gz KESAKQDLBWLRBO-ZDUSSCGKSA-N 1 2 298.383 0.595 20 30 CCEDLO O=C(NCC1(CO)COC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329374167 389160527 /nfs/dbraw/zinc/16/05/27/389160527.db2.gz KESAKQDLBWLRBO-ZDUSSCGKSA-N 1 2 298.383 0.595 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCOC2CCCC2)C1 ZINC000329432273 389163348 /nfs/dbraw/zinc/16/33/48/389163348.db2.gz IAVIBKJCFHOBOV-ZDUSSCGKSA-N 1 2 298.431 0.695 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCOC2CCCC2)C1 ZINC000329432273 389163352 /nfs/dbraw/zinc/16/33/52/389163352.db2.gz IAVIBKJCFHOBOV-ZDUSSCGKSA-N 1 2 298.431 0.695 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125212272 389164277 /nfs/dbraw/zinc/16/42/77/389164277.db2.gz IKOSBIRTTHQRPX-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125212272 389164281 /nfs/dbraw/zinc/16/42/81/389164281.db2.gz IKOSBIRTTHQRPX-CQSZACIVSA-N 1 2 288.395 0.890 20 30 CCEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)NCC(=O)N1CCCC1 ZINC000329452206 389164332 /nfs/dbraw/zinc/16/43/32/389164332.db2.gz MCWZELMUNCVQMS-UHFFFAOYSA-N 1 2 295.383 0.678 20 30 CCEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)NCC(=O)N1CCCC1 ZINC000329452206 389164335 /nfs/dbraw/zinc/16/43/35/389164335.db2.gz MCWZELMUNCVQMS-UHFFFAOYSA-N 1 2 295.383 0.678 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@H](O)COc2ccccc2C#N)n1 ZINC000236132469 389167647 /nfs/dbraw/zinc/16/76/47/389167647.db2.gz NQIAIBZRDXSODY-LBPRGKRZSA-N 1 2 287.323 0.216 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)nn1 ZINC000329528478 389168625 /nfs/dbraw/zinc/16/86/25/389168625.db2.gz SRKODTSMXMLJOG-JTQLQIEISA-N 1 2 264.333 0.055 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)nn1 ZINC000329528478 389168628 /nfs/dbraw/zinc/16/86/28/389168628.db2.gz SRKODTSMXMLJOG-JTQLQIEISA-N 1 2 264.333 0.055 20 30 CCEDLO COCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCOCC1 ZINC000329600791 389174192 /nfs/dbraw/zinc/17/41/92/389174192.db2.gz XHBVPFMQTYPCGG-CYBMUJFWSA-N 1 2 297.399 0.386 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1CO ZINC000329603051 389174752 /nfs/dbraw/zinc/17/47/52/389174752.db2.gz GENPCZRTODHJBG-GIPNMCIBSA-N 1 2 278.356 0.884 20 30 CCEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1CO ZINC000329603051 389174755 /nfs/dbraw/zinc/17/47/55/389174755.db2.gz GENPCZRTODHJBG-GIPNMCIBSA-N 1 2 278.356 0.884 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CCCC#N ZINC000330560296 389241090 /nfs/dbraw/zinc/24/10/90/389241090.db2.gz HQKJLPUGYMUDAY-UHFFFAOYSA-N 1 2 256.331 0.485 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnns2)C1 ZINC000330596048 389245158 /nfs/dbraw/zinc/24/51/58/389245158.db2.gz CNCOUEVLNZYMCP-SECBINFHSA-N 1 2 298.368 0.728 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnns2)C1 ZINC000330596048 389245160 /nfs/dbraw/zinc/24/51/60/389245160.db2.gz CNCOUEVLNZYMCP-SECBINFHSA-N 1 2 298.368 0.728 20 30 CCEDLO CSCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000343041421 389256539 /nfs/dbraw/zinc/25/65/39/389256539.db2.gz YXPJRMRMTMSHGX-UHFFFAOYSA-N 1 2 271.386 0.424 20 30 CCEDLO CC#CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000135884100 389262650 /nfs/dbraw/zinc/26/26/50/389262650.db2.gz CVVRELBVDNKFHY-LBPRGKRZSA-N 1 2 258.325 0.983 20 30 CCEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000136064131 389264386 /nfs/dbraw/zinc/26/43/86/389264386.db2.gz UIOWQUAMUCVTJB-UHFFFAOYSA-N 1 2 265.313 0.282 20 30 CCEDLO Cn1ccc(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000329871963 389207795 /nfs/dbraw/zinc/20/77/95/389207795.db2.gz BCLMECFKWGQQMW-NSHDSACASA-N 1 2 288.355 0.883 20 30 CCEDLO Cn1ccc(CNC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000329871963 389207796 /nfs/dbraw/zinc/20/77/96/389207796.db2.gz BCLMECFKWGQQMW-NSHDSACASA-N 1 2 288.355 0.883 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCn2cc[nH+]c2C1 ZINC000329867892 389207962 /nfs/dbraw/zinc/20/79/62/389207962.db2.gz WRXCRELAKOYRBC-LLVKDONJSA-N 1 2 286.339 0.893 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccccn3)C[C@H]21 ZINC000329900475 389209171 /nfs/dbraw/zinc/20/91/71/389209171.db2.gz GEYOVYORGCVEOC-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccccn3)C[C@H]21 ZINC000329900475 389209172 /nfs/dbraw/zinc/20/91/72/389209172.db2.gz GEYOVYORGCVEOC-CHWSQXEVSA-N 1 2 276.340 0.510 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000330411103 389225693 /nfs/dbraw/zinc/22/56/93/389225693.db2.gz RUQRVOBOVZYNFS-ZJUUUORDSA-N 1 2 255.318 0.312 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000330411103 389225696 /nfs/dbraw/zinc/22/56/96/389225696.db2.gz RUQRVOBOVZYNFS-ZJUUUORDSA-N 1 2 255.318 0.312 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000133086827 389230870 /nfs/dbraw/zinc/23/08/70/389230870.db2.gz ZPEXOKPUCJKGSB-VXGBXAGGSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000133086827 389230872 /nfs/dbraw/zinc/23/08/72/389230872.db2.gz ZPEXOKPUCJKGSB-VXGBXAGGSA-N 1 2 257.330 0.577 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(C)(C)C#N ZINC000345734760 389313167 /nfs/dbraw/zinc/31/31/67/389313167.db2.gz DTWMIPVMXXWOBZ-JTQLQIEISA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C#N ZINC000345734760 389313169 /nfs/dbraw/zinc/31/31/69/389313169.db2.gz DTWMIPVMXXWOBZ-JTQLQIEISA-N 1 2 267.329 0.290 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345942314 389318567 /nfs/dbraw/zinc/31/85/67/389318567.db2.gz XOAFJPZGBFFCKJ-LBPRGKRZSA-N 1 2 294.399 0.738 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345942314 389318570 /nfs/dbraw/zinc/31/85/70/389318570.db2.gz XOAFJPZGBFFCKJ-LBPRGKRZSA-N 1 2 294.399 0.738 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)ncn2)CC1 ZINC000346619666 389333638 /nfs/dbraw/zinc/33/36/38/389333638.db2.gz NLWQGDCBZNAOPV-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000332128906 389340335 /nfs/dbraw/zinc/34/03/35/389340335.db2.gz JLCCUYZZMFXHKH-TXEJJXNPSA-N 1 2 286.291 0.146 20 30 CCEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000332128906 389340339 /nfs/dbraw/zinc/34/03/39/389340339.db2.gz JLCCUYZZMFXHKH-TXEJJXNPSA-N 1 2 286.291 0.146 20 30 CCEDLO N#CC1(C[NH+]2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000343677314 389269621 /nfs/dbraw/zinc/26/96/21/389269621.db2.gz UCJUPURTPMUGTO-UHFFFAOYSA-N 1 2 257.359 0.291 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCCC#N ZINC000343778594 389272454 /nfs/dbraw/zinc/27/24/54/389272454.db2.gz YLTMJQJZVWZEEK-UHFFFAOYSA-N 1 2 268.361 0.700 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCCC#N ZINC000343778594 389272456 /nfs/dbraw/zinc/27/24/56/389272456.db2.gz YLTMJQJZVWZEEK-UHFFFAOYSA-N 1 2 268.361 0.700 20 30 CCEDLO C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000343880941 389275155 /nfs/dbraw/zinc/27/51/55/389275155.db2.gz CKNOAHFFGSIFNX-GFCCVEGCSA-N 1 2 298.362 0.744 20 30 CCEDLO N#CCN(C[C@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000151128457 389276004 /nfs/dbraw/zinc/27/60/04/389276004.db2.gz OYNKFPGXOGWRER-CQSZACIVSA-N 1 2 267.373 0.448 20 30 CCEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NCC#N ZINC000151529151 389277924 /nfs/dbraw/zinc/27/79/24/389277924.db2.gz SSHRLURVUKMIDL-UHFFFAOYSA-N 1 2 299.172 0.859 20 30 CCEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NCC#N ZINC000151529151 389277927 /nfs/dbraw/zinc/27/79/27/389277927.db2.gz SSHRLURVUKMIDL-UHFFFAOYSA-N 1 2 299.172 0.859 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCSCC1 ZINC000151771647 389279283 /nfs/dbraw/zinc/27/92/83/389279283.db2.gz XUTSWUDWFLKOTO-SNVBAGLBSA-N 1 2 253.371 0.986 20 30 CCEDLO COc1cc(C#N)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000153340367 389298829 /nfs/dbraw/zinc/29/88/29/389298829.db2.gz CSJWPAOTDSCRET-ZDUSSCGKSA-N 1 2 292.335 0.639 20 30 CCEDLO N#CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000153498104 389302192 /nfs/dbraw/zinc/30/21/92/389302192.db2.gz UIOQFMVFABJRJU-CQSZACIVSA-N 1 2 273.336 0.917 20 30 CCEDLO N#CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000153498104 389302196 /nfs/dbraw/zinc/30/21/96/389302196.db2.gz UIOQFMVFABJRJU-CQSZACIVSA-N 1 2 273.336 0.917 20 30 CCEDLO C=CCNC(=O)CN1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348396950 389376060 /nfs/dbraw/zinc/37/60/60/389376060.db2.gz GPAVOEWJOPWEBV-GFCCVEGCSA-N 1 2 277.372 0.391 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000410520487 389384507 /nfs/dbraw/zinc/38/45/07/389384507.db2.gz ZNJUIEJWHILABL-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000410520487 389384514 /nfs/dbraw/zinc/38/45/14/389384514.db2.gz ZNJUIEJWHILABL-CYBMUJFWSA-N 1 2 297.399 0.200 20 30 CCEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408384545 389344817 /nfs/dbraw/zinc/34/48/17/389344817.db2.gz ZTEOTNIOUSITIN-AAEUAGOBSA-N 1 2 290.367 0.101 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000348098093 389364925 /nfs/dbraw/zinc/36/49/25/389364925.db2.gz RVFHKBLHRZEHQH-AMIZOPFISA-N 1 2 277.328 0.837 20 30 CCEDLO N#CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000266554024 389365851 /nfs/dbraw/zinc/36/58/51/389365851.db2.gz VKYJNMAOGIYXRV-ZDUSSCGKSA-N 1 2 293.327 0.920 20 30 CCEDLO N#CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000266554024 389365853 /nfs/dbraw/zinc/36/58/53/389365853.db2.gz VKYJNMAOGIYXRV-ZDUSSCGKSA-N 1 2 293.327 0.920 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412073385 389474706 /nfs/dbraw/zinc/47/47/06/389474706.db2.gz LUBLSBWNQIOMNN-BFHYXJOUSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412073385 389474710 /nfs/dbraw/zinc/47/47/10/389474710.db2.gz LUBLSBWNQIOMNN-BFHYXJOUSA-N 1 2 284.400 0.881 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373516615 389489811 /nfs/dbraw/zinc/48/98/11/389489811.db2.gz ACHAADQRBLNITP-AAEUAGOBSA-N 1 2 250.342 0.768 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373516615 389489815 /nfs/dbraw/zinc/48/98/15/389489815.db2.gz ACHAADQRBLNITP-AAEUAGOBSA-N 1 2 250.342 0.768 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374067074 389542425 /nfs/dbraw/zinc/54/24/25/389542425.db2.gz KGJWWCIPKGPDLZ-SDDRHHMPSA-N 1 2 251.330 0.610 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374067074 389542428 /nfs/dbraw/zinc/54/24/28/389542428.db2.gz KGJWWCIPKGPDLZ-SDDRHHMPSA-N 1 2 251.330 0.610 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274740687 389505153 /nfs/dbraw/zinc/50/51/53/389505153.db2.gz FEWZYHIBRYTWIY-LLVKDONJSA-N 1 2 291.355 0.104 20 30 CCEDLO C=CC[C@H](CO)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274740687 389505155 /nfs/dbraw/zinc/50/51/55/389505155.db2.gz FEWZYHIBRYTWIY-LLVKDONJSA-N 1 2 291.355 0.104 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(CO)o2)C1=O ZINC000281129796 389608938 /nfs/dbraw/zinc/60/89/38/389608938.db2.gz CUUZJNDGZWMAGV-CYBMUJFWSA-N 1 2 264.325 0.991 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CO)o2)C1=O ZINC000281129796 389608943 /nfs/dbraw/zinc/60/89/43/389608943.db2.gz CUUZJNDGZWMAGV-CYBMUJFWSA-N 1 2 264.325 0.991 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3cccnc3n2)C1=O ZINC000281210949 389610848 /nfs/dbraw/zinc/61/08/48/389610848.db2.gz DEDNKQRZHJLCQX-CYBMUJFWSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3cccnc3n2)C1=O ZINC000281210949 389610850 /nfs/dbraw/zinc/61/08/50/389610850.db2.gz DEDNKQRZHJLCQX-CYBMUJFWSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC2CC2)C1=O ZINC000281449065 389616268 /nfs/dbraw/zinc/61/62/68/389616268.db2.gz UNHFCIKKHKYXMY-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC2CC2)C1=O ZINC000281449065 389616275 /nfs/dbraw/zinc/61/62/75/389616275.db2.gz UNHFCIKKHKYXMY-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)C(=O)C2(C)C)C1=O ZINC000281899137 389632857 /nfs/dbraw/zinc/63/28/57/389632857.db2.gz FOAXSSRMBLBOBV-NSHDSACASA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)C(=O)C2(C)C)C1=O ZINC000281899137 389632859 /nfs/dbraw/zinc/63/28/59/389632859.db2.gz FOAXSSRMBLBOBV-NSHDSACASA-N 1 2 265.357 0.326 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424970056 389636745 /nfs/dbraw/zinc/63/67/45/389636745.db2.gz KPIJLXVDQBWICX-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424970056 389636751 /nfs/dbraw/zinc/63/67/51/389636751.db2.gz KPIJLXVDQBWICX-NWDGAFQWSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)OC)C1=O ZINC000281931955 389637166 /nfs/dbraw/zinc/63/71/66/389637166.db2.gz IAXFSUZESNDEAS-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)OC)C1=O ZINC000281931955 389637170 /nfs/dbraw/zinc/63/71/70/389637170.db2.gz IAXFSUZESNDEAS-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000281964163 389640856 /nfs/dbraw/zinc/64/08/56/389640856.db2.gz KROBXEOYSVKTSE-LLVKDONJSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1=O ZINC000281964163 389640859 /nfs/dbraw/zinc/64/08/59/389640859.db2.gz KROBXEOYSVKTSE-LLVKDONJSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1=O ZINC000281971060 389640992 /nfs/dbraw/zinc/64/09/92/389640992.db2.gz LCJMFZXSNOZYSM-ZDUSSCGKSA-N 1 2 287.367 0.386 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425297215 389644778 /nfs/dbraw/zinc/64/47/78/389644778.db2.gz UQJOKGXGGDQAQF-ZDUSSCGKSA-N 1 2 293.367 0.097 20 30 CCEDLO C=CCn1cc(-c2nc(Cc3c[nH+]cn3C)no2)nn1 ZINC000351357900 389578290 /nfs/dbraw/zinc/57/82/90/389578290.db2.gz FOFVUIOAIVLZFU-UHFFFAOYSA-N 1 2 271.284 0.838 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374458205 389581732 /nfs/dbraw/zinc/58/17/32/389581732.db2.gz YPQRXPFUKPGOBQ-WDEREUQCSA-N 1 2 297.384 0.883 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178145192 389598689 /nfs/dbraw/zinc/59/86/89/389598689.db2.gz UYJITWOQQAPIGH-QMMMGPOBSA-N 1 2 280.353 0.421 20 30 CCEDLO CN(C(=O)CSCC#N)C(C)(C)C[NH+]1CCOCC1 ZINC000414056440 389599627 /nfs/dbraw/zinc/59/96/27/389599627.db2.gz ZCUPEJREKHLTNX-UHFFFAOYSA-N 1 2 285.413 0.812 20 30 CCEDLO CCC[C@@]1(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414129277 389602242 /nfs/dbraw/zinc/60/22/42/389602242.db2.gz HWIFGGJRVVEGDF-SMDDNHRTSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC[C@@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414129277 389602246 /nfs/dbraw/zinc/60/22/46/389602246.db2.gz HWIFGGJRVVEGDF-SMDDNHRTSA-N 1 2 296.371 0.303 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000282306920 389660659 /nfs/dbraw/zinc/66/06/59/389660659.db2.gz KEGHZEYVYSMRDT-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000282306920 389660663 /nfs/dbraw/zinc/66/06/63/389660663.db2.gz KEGHZEYVYSMRDT-LBPRGKRZSA-N 1 2 265.357 0.397 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375622312 389693294 /nfs/dbraw/zinc/69/32/94/389693294.db2.gz CZDIKFGJYKBJDY-STQMWFEESA-N 1 2 288.413 0.687 20 30 CCEDLO COC(=O)[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)C(C)C ZINC000352100980 389752915 /nfs/dbraw/zinc/75/29/15/389752915.db2.gz JPYYOFBZRHHUMH-GFCCVEGCSA-N 1 2 299.346 0.628 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371292 389799560 /nfs/dbraw/zinc/79/95/60/389799560.db2.gz IDOIPLYWKSWAFG-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352371292 389799562 /nfs/dbraw/zinc/79/95/62/389799562.db2.gz IDOIPLYWKSWAFG-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO Cc1cc(N2CCCS(=O)(=O)CC2)c(C#N)c[nH+]1 ZINC000399394860 389791407 /nfs/dbraw/zinc/79/14/07/389791407.db2.gz APIYFOLDYBHOJK-UHFFFAOYSA-N 1 2 265.338 0.887 20 30 CCEDLO Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399598144 389792592 /nfs/dbraw/zinc/79/25/92/389792592.db2.gz SCTQMDKXMROATH-LLVKDONJSA-N 1 2 257.297 0.476 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2nnc(C)n2C)c1 ZINC000183260694 389728708 /nfs/dbraw/zinc/72/87/08/389728708.db2.gz VCJWJDFECSWRCA-UHFFFAOYSA-N 1 2 275.312 0.969 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CCC1 ZINC000352449095 389812522 /nfs/dbraw/zinc/81/25/22/389812522.db2.gz KTXHHVVYDXUXOG-UHFFFAOYSA-N 1 2 264.304 0.877 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1C#N ZINC000443070547 389873400 /nfs/dbraw/zinc/87/34/00/389873400.db2.gz ZFMHQGBPRGRLNA-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1C#N ZINC000443070547 389873403 /nfs/dbraw/zinc/87/34/03/389873403.db2.gz ZFMHQGBPRGRLNA-GFCCVEGCSA-N 1 2 295.364 0.430 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)nn2C)CC1 ZINC000417724360 389846002 /nfs/dbraw/zinc/84/60/02/389846002.db2.gz NPZGZRCWPNLPHL-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444724957 389915945 /nfs/dbraw/zinc/91/59/45/389915945.db2.gz LRJXIJGYRGXJSQ-SCZZXKLOSA-N 1 2 279.262 0.261 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444724957 389915947 /nfs/dbraw/zinc/91/59/47/389915947.db2.gz LRJXIJGYRGXJSQ-SCZZXKLOSA-N 1 2 279.262 0.261 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420948102 390039911 /nfs/dbraw/zinc/03/99/11/390039911.db2.gz VIWDLYMDAPLUOM-LBPRGKRZSA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420948102 390039913 /nfs/dbraw/zinc/03/99/13/390039913.db2.gz VIWDLYMDAPLUOM-LBPRGKRZSA-N 1 2 283.372 0.220 20 30 CCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862880 389991492 /nfs/dbraw/zinc/99/14/92/389991492.db2.gz ZSNUQQWCYXUGFV-BXUZGUMPSA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862880 389991493 /nfs/dbraw/zinc/99/14/93/389991493.db2.gz ZSNUQQWCYXUGFV-BXUZGUMPSA-N 1 2 265.357 0.763 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)s1 ZINC000437345218 389993572 /nfs/dbraw/zinc/99/35/72/389993572.db2.gz OXVVDJJLKNJPGO-SNVBAGLBSA-N 1 2 276.365 0.349 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(C#N)cs1 ZINC000457129261 390031358 /nfs/dbraw/zinc/03/13/58/390031358.db2.gz QKUNIOQBJFCCCL-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(C#N)cs1 ZINC000457129261 390031361 /nfs/dbraw/zinc/03/13/61/390031361.db2.gz QKUNIOQBJFCCCL-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO N#CCN1CCC(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493421752 390125371 /nfs/dbraw/zinc/12/53/71/390125371.db2.gz LWGXLQVBGLOQJG-OWOJBTEDSA-N 1 2 273.340 0.775 20 30 CCEDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000579000200 390132740 /nfs/dbraw/zinc/13/27/40/390132740.db2.gz IJSLOEYSWIXHDI-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000579000200 390132743 /nfs/dbraw/zinc/13/27/43/390132743.db2.gz IJSLOEYSWIXHDI-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000579674210 390195676 /nfs/dbraw/zinc/19/56/76/390195676.db2.gz VPIGRSOPOMSFED-MNOVXSKESA-N 1 2 263.345 0.813 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000579674210 390195679 /nfs/dbraw/zinc/19/56/79/390195679.db2.gz VPIGRSOPOMSFED-MNOVXSKESA-N 1 2 263.345 0.813 20 30 CCEDLO N#Cc1cc(NCC2([NH+]3CCOCC3)CC2)ncn1 ZINC000583909390 390322368 /nfs/dbraw/zinc/32/23/68/390322368.db2.gz QCJFVXWCLAOHDU-UHFFFAOYSA-N 1 2 259.313 0.047 20 30 CCEDLO Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000584406779 390340383 /nfs/dbraw/zinc/34/03/83/390340383.db2.gz JPZICEBGTMATKI-LLVKDONJSA-N 1 2 280.353 0.390 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000648335359 390358429 /nfs/dbraw/zinc/35/84/29/390358429.db2.gz RMIYVHRZGCIQKL-LBPRGKRZSA-N 1 2 298.350 0.868 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)nn1 ZINC000648771301 390405985 /nfs/dbraw/zinc/40/59/85/390405985.db2.gz MCCNUFUDTSYKIL-RYUDHWBXSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nn1 ZINC000648771299 390406230 /nfs/dbraw/zinc/40/62/30/390406230.db2.gz MCCNUFUDTSYKIL-NEPJUHHUSA-N 1 2 293.371 0.303 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000645403515 390420636 /nfs/dbraw/zinc/42/06/36/390420636.db2.gz CEDLPVWJDGOHHZ-WDEREUQCSA-N 1 2 264.329 0.456 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000645403515 390420638 /nfs/dbraw/zinc/42/06/38/390420638.db2.gz CEDLPVWJDGOHHZ-WDEREUQCSA-N 1 2 264.329 0.456 20 30 CCEDLO CC#CC[C@@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000645406295 390421377 /nfs/dbraw/zinc/42/13/77/390421377.db2.gz WGJLDZQMPZTGLK-NSHDSACASA-N 1 2 277.372 0.669 20 30 CCEDLO CC#CC[C@@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000645406295 390421379 /nfs/dbraw/zinc/42/13/79/390421379.db2.gz WGJLDZQMPZTGLK-NSHDSACASA-N 1 2 277.372 0.669 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000556084425 390472705 /nfs/dbraw/zinc/47/27/05/390472705.db2.gz JSPOXCYXCXHXBL-GFCCVEGCSA-N 1 2 266.389 0.773 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)C(C)(C)C1 ZINC000556084425 390472707 /nfs/dbraw/zinc/47/27/07/390472707.db2.gz JSPOXCYXCXHXBL-GFCCVEGCSA-N 1 2 266.389 0.773 20 30 CCEDLO Cc1nsc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1C#N ZINC000567533935 390703099 /nfs/dbraw/zinc/70/30/99/390703099.db2.gz UPBZXTBRMRACPF-VXGBXAGGSA-N 1 2 294.380 0.205 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568226707 390713424 /nfs/dbraw/zinc/71/34/24/390713424.db2.gz HSTBCXSMKVIIDS-SNVBAGLBSA-N 1 2 250.302 0.587 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568226707 390713426 /nfs/dbraw/zinc/71/34/26/390713426.db2.gz HSTBCXSMKVIIDS-SNVBAGLBSA-N 1 2 250.302 0.587 20 30 CCEDLO CN(C)C[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000570336345 390718141 /nfs/dbraw/zinc/71/81/41/390718141.db2.gz PVLVFRHBJGFUFH-CQSZACIVSA-N 1 2 271.324 0.908 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000525949736 390671748 /nfs/dbraw/zinc/67/17/48/390671748.db2.gz RQVVATIUOSWBPP-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000525949736 390671750 /nfs/dbraw/zinc/67/17/50/390671750.db2.gz RQVVATIUOSWBPP-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C=C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000646621395 390700870 /nfs/dbraw/zinc/70/08/70/390700870.db2.gz AEHZZWYCNGDRDM-LBPRGKRZSA-N 1 2 261.325 0.845 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528722666 390771022 /nfs/dbraw/zinc/77/10/22/390771022.db2.gz SRUVUZPRCBSLCG-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528722666 390771024 /nfs/dbraw/zinc/77/10/24/390771024.db2.gz SRUVUZPRCBSLCG-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)[C@H](C)C1=O ZINC000528463572 390746450 /nfs/dbraw/zinc/74/64/50/390746450.db2.gz HXVOUPCTVADLPK-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@H](C)C1=O ZINC000528463572 390746452 /nfs/dbraw/zinc/74/64/52/390746452.db2.gz HXVOUPCTVADLPK-NEPJUHHUSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H](C)[S@@]1=O ZINC000528477744 390748464 /nfs/dbraw/zinc/74/84/64/390748464.db2.gz PFSCZZJFMQBQBN-DBYGNECLSA-N 1 2 270.398 0.882 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H](C)[S@@]1=O ZINC000528477744 390748465 /nfs/dbraw/zinc/74/84/65/390748465.db2.gz PFSCZZJFMQBQBN-DBYGNECLSA-N 1 2 270.398 0.882 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491012 390750056 /nfs/dbraw/zinc/75/00/56/390750056.db2.gz PJUBECGWCGQYNC-GHMZBOCLSA-N 1 2 251.330 0.204 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491012 390750057 /nfs/dbraw/zinc/75/00/57/390750057.db2.gz PJUBECGWCGQYNC-GHMZBOCLSA-N 1 2 251.330 0.204 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000532378906 390879737 /nfs/dbraw/zinc/87/97/37/390879737.db2.gz MNGFDVMMJWDGGQ-NSHDSACASA-N 1 2 250.346 0.983 20 30 CCEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000532378906 390879739 /nfs/dbraw/zinc/87/97/39/390879739.db2.gz MNGFDVMMJWDGGQ-NSHDSACASA-N 1 2 250.346 0.983 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246425091 131095258 /nfs/dbraw/zinc/09/52/58/131095258.db2.gz CFPPOKNVFVBZQZ-OLZOCXBDSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246425091 131095259 /nfs/dbraw/zinc/09/52/59/131095259.db2.gz CFPPOKNVFVBZQZ-OLZOCXBDSA-N 1 2 294.399 0.509 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000268584277 132030984 /nfs/dbraw/zinc/03/09/84/132030984.db2.gz UMHVCEBMMWSUPU-CHWSQXEVSA-N 1 2 273.398 0.989 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000268584277 132030986 /nfs/dbraw/zinc/03/09/86/132030986.db2.gz UMHVCEBMMWSUPU-CHWSQXEVSA-N 1 2 273.398 0.989 20 30 CCEDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356107816 143974017 /nfs/dbraw/zinc/97/40/17/143974017.db2.gz DUPQZIXTHWKSRM-LBPRGKRZSA-N 1 2 295.364 0.761 20 30 CCEDLO Cn1ncc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1C#N ZINC000356521251 144010500 /nfs/dbraw/zinc/01/05/00/144010500.db2.gz SJLMQAMBYAWTMT-JTQLQIEISA-N 1 2 284.323 0.796 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537640 397630778 /nfs/dbraw/zinc/63/07/78/397630778.db2.gz FKKOZRUJWVGZOK-NXEZZACHSA-N 1 2 253.302 0.892 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537640 397630780 /nfs/dbraw/zinc/63/07/80/397630780.db2.gz FKKOZRUJWVGZOK-NXEZZACHSA-N 1 2 253.302 0.892 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000650062087 397691784 /nfs/dbraw/zinc/69/17/84/397691784.db2.gz IECUZGCPLQIZMS-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000650062087 397691788 /nfs/dbraw/zinc/69/17/88/397691788.db2.gz IECUZGCPLQIZMS-LBPRGKRZSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CCNC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000028762475 171573043 /nfs/dbraw/zinc/57/30/43/171573043.db2.gz GZGXZZRZZLKXQE-MRVPVSSYSA-N 1 2 275.337 0.593 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2COC[C@H]2OC)nn1 ZINC000653776251 412345456 /nfs/dbraw/zinc/34/54/56/412345456.db2.gz WYVUCLWNEITEAO-VXGBXAGGSA-N 1 2 252.318 0.358 20 30 CCEDLO COCC#CC[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298916 414708078 /nfs/dbraw/zinc/70/80/78/414708078.db2.gz SNSOJMFLNSIJBH-UHFFFAOYSA-N 1 2 258.321 0.793 20 30 CCEDLO COCC#CC[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298916 414708079 /nfs/dbraw/zinc/70/80/79/414708079.db2.gz SNSOJMFLNSIJBH-UHFFFAOYSA-N 1 2 258.321 0.793 20 30 CCEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000662165886 414694887 /nfs/dbraw/zinc/69/48/87/414694887.db2.gz UUOOWWZXISIKKU-WDEREUQCSA-N 1 2 259.313 0.860 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)NCC1CC1 ZINC000329054568 227273686 /nfs/dbraw/zinc/27/36/86/227273686.db2.gz SCVMNYQTZNIZML-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)NCC1CC1 ZINC000329054568 227273693 /nfs/dbraw/zinc/27/36/93/227273693.db2.gz SCVMNYQTZNIZML-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1=O ZINC000329138742 227321451 /nfs/dbraw/zinc/32/14/51/227321451.db2.gz ILEWSHQXOHAYAP-JTQLQIEISA-N 1 2 272.308 0.971 20 30 CCEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1=O ZINC000329138742 227321455 /nfs/dbraw/zinc/32/14/55/227321455.db2.gz ILEWSHQXOHAYAP-JTQLQIEISA-N 1 2 272.308 0.971 20 30 CCEDLO C[C@]1(CNC(=O)NCC[NH+]2CCOCC2)CCOC1 ZINC000329395642 545022291 /nfs/dbraw/zinc/02/22/91/545022291.db2.gz VQUXUZVMIBQDMD-CYBMUJFWSA-N 1 2 271.361 0.249 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000518218791 260359156 /nfs/dbraw/zinc/35/91/56/260359156.db2.gz IDQXAGGGYBADGP-UHFFFAOYSA-N 1 2 283.357 0.220 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000084505664 260364432 /nfs/dbraw/zinc/36/44/32/260364432.db2.gz JQGDCZFZJPPIAB-UHFFFAOYSA-N 1 2 297.330 0.924 20 30 CCEDLO C#CC[N@H+](CC#CC)CCn1nc2ccccn2c1=O ZINC000490678540 261181851 /nfs/dbraw/zinc/18/18/51/261181851.db2.gz OKTBFJDHORACBB-UHFFFAOYSA-N 1 2 268.320 0.455 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCn1nc2ccccn2c1=O ZINC000490678540 261181853 /nfs/dbraw/zinc/18/18/53/261181853.db2.gz OKTBFJDHORACBB-UHFFFAOYSA-N 1 2 268.320 0.455 20 30 CCEDLO C#CC[N@@H+](CCOCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491119727 261335916 /nfs/dbraw/zinc/33/59/16/261335916.db2.gz JLKSWZKVARBYHS-GFCCVEGCSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CC[N@H+](CCOCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491119727 261335917 /nfs/dbraw/zinc/33/59/17/261335917.db2.gz JLKSWZKVARBYHS-GFCCVEGCSA-N 1 2 257.355 0.311 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000106339652 261369644 /nfs/dbraw/zinc/36/96/44/261369644.db2.gz MIURHEOMJZVWNW-YNEHKIRRSA-N 1 2 296.371 0.030 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000491241673 261385286 /nfs/dbraw/zinc/38/52/86/261385286.db2.gz KUNNXMSTOHUPHK-MNOVXSKESA-N 1 2 251.330 0.864 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000491241673 261385289 /nfs/dbraw/zinc/38/52/89/261385289.db2.gz KUNNXMSTOHUPHK-MNOVXSKESA-N 1 2 251.330 0.864 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC2OCCO2)c1 ZINC000194645752 262240959 /nfs/dbraw/zinc/24/09/59/262240959.db2.gz YXYAHHBNOUFIBZ-UHFFFAOYSA-N 1 2 252.270 0.705 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000283079166 263080888 /nfs/dbraw/zinc/08/08/88/263080888.db2.gz VMKZNZUEXGJZAO-NSHDSACASA-N 1 2 285.373 0.342 20 30 CCEDLO NC(=O)c1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284378383 263086661 /nfs/dbraw/zinc/08/66/61/263086661.db2.gz LWXIPSQSVGEOKT-LLVKDONJSA-N 1 2 263.297 0.753 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2cnnn2C)cc1OC ZINC000289425575 263110059 /nfs/dbraw/zinc/11/00/59/263110059.db2.gz RBVCHDVTTGVRCH-UHFFFAOYSA-N 1 2 291.311 0.669 20 30 CCEDLO Cn1ncc(CO[NH+]=C(N)COc2cccc(F)c2)n1 ZINC000289460025 263110374 /nfs/dbraw/zinc/11/03/74/263110374.db2.gz VTYFXTSZCJGYAL-UHFFFAOYSA-N 1 2 279.275 0.822 20 30 CCEDLO CN(C)c1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000289474258 263110479 /nfs/dbraw/zinc/11/04/79/263110479.db2.gz XJHUVOHJAGDMJJ-ZETCQYMHSA-N 1 2 255.278 0.103 20 30 CCEDLO CNC(=O)NCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330508315 263955834 /nfs/dbraw/zinc/95/58/34/263955834.db2.gz OASATFXIAXKABO-SNVBAGLBSA-N 1 2 279.344 0.319 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)NC1CCCCC1 ZINC000330701228 264017987 /nfs/dbraw/zinc/01/79/87/264017987.db2.gz NSNPXPIZYRZSBW-UHFFFAOYSA-N 1 2 284.404 0.843 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000330701228 264017990 /nfs/dbraw/zinc/01/79/90/264017990.db2.gz NSNPXPIZYRZSBW-UHFFFAOYSA-N 1 2 284.404 0.843 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330720074 264024356 /nfs/dbraw/zinc/02/43/56/264024356.db2.gz BJLPKJPUWNDQFV-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000330767893 264033452 /nfs/dbraw/zinc/03/34/52/264033452.db2.gz SBILNHPULJFJNC-NXEZZACHSA-N 1 2 284.360 0.026 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000330767893 264033453 /nfs/dbraw/zinc/03/34/53/264033453.db2.gz SBILNHPULJFJNC-NXEZZACHSA-N 1 2 284.360 0.026 20 30 CCEDLO CC(C)CNC(=O)NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000330774967 264034187 /nfs/dbraw/zinc/03/41/87/264034187.db2.gz HAFWVRLYJIOKJT-UHFFFAOYSA-N 1 2 279.344 0.385 20 30 CCEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000330811407 264044746 /nfs/dbraw/zinc/04/47/46/264044746.db2.gz KKWBIARFINLVKA-ZDUSSCGKSA-N 1 2 287.367 0.400 20 30 CCEDLO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)n(C)n1 ZINC000330818633 264046397 /nfs/dbraw/zinc/04/63/97/264046397.db2.gz GRMPKBISDOWLRR-QWRGUYRKSA-N 1 2 261.329 0.949 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCC)CC(=O)NCCC ZINC000052247020 264065926 /nfs/dbraw/zinc/06/59/26/264065926.db2.gz GIUGHBNZGCUFNM-UHFFFAOYSA-N 1 2 255.362 0.527 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCC)CC(=O)NCCC ZINC000052247020 264065928 /nfs/dbraw/zinc/06/59/28/264065928.db2.gz GIUGHBNZGCUFNM-UHFFFAOYSA-N 1 2 255.362 0.527 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000330945889 264084813 /nfs/dbraw/zinc/08/48/13/264084813.db2.gz KEMHWPRJTFYWOC-LBPRGKRZSA-N 1 2 276.340 0.833 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000330945889 264084815 /nfs/dbraw/zinc/08/48/15/264084815.db2.gz KEMHWPRJTFYWOC-LBPRGKRZSA-N 1 2 276.340 0.833 20 30 CCEDLO C[C@@H](CNC(=O)CC(C)(C)C#N)[NH+]1CCOCC1 ZINC000330945500 264085019 /nfs/dbraw/zinc/08/50/19/264085019.db2.gz GZXNIQIVGAIUSM-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1CO ZINC000331064247 264111725 /nfs/dbraw/zinc/11/17/25/264111725.db2.gz WRPRVZWEJUNHDZ-STQMWFEESA-N 1 2 285.388 0.373 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@H](C)O ZINC000331161513 264143232 /nfs/dbraw/zinc/14/32/32/264143232.db2.gz RIUAOODOLWKWTB-OLZOCXBDSA-N 1 2 286.420 0.239 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000331210631 264162571 /nfs/dbraw/zinc/16/25/71/264162571.db2.gz XTOLDYZITQRNOR-UHFFFAOYSA-N 1 2 285.344 0.454 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000331210631 264162572 /nfs/dbraw/zinc/16/25/72/264162572.db2.gz XTOLDYZITQRNOR-UHFFFAOYSA-N 1 2 285.344 0.454 20 30 CCEDLO CC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)C[C@H](C)C#N ZINC000331321659 264189664 /nfs/dbraw/zinc/18/96/64/264189664.db2.gz FHMHSRJOYMYLTH-ZJUUUORDSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C[C@H](C)C#N ZINC000331321659 264189665 /nfs/dbraw/zinc/18/96/65/264189665.db2.gz FHMHSRJOYMYLTH-ZJUUUORDSA-N 1 2 252.318 0.613 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000362787870 267045152 /nfs/dbraw/zinc/04/51/52/267045152.db2.gz LUPXYUDADLEEEP-LLVKDONJSA-N 1 2 263.366 0.928 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000369036623 267218354 /nfs/dbraw/zinc/21/83/54/267218354.db2.gz PKDBMXCFNXQUPK-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000369036623 267218357 /nfs/dbraw/zinc/21/83/57/267218357.db2.gz PKDBMXCFNXQUPK-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@](C)(OC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000530476559 267238041 /nfs/dbraw/zinc/23/80/41/267238041.db2.gz YMWSXIDGXWRGAL-AWEZNQCLSA-N 1 2 293.371 0.609 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370032478 267284802 /nfs/dbraw/zinc/28/48/02/267284802.db2.gz LHFAYUGTJSZWTO-PWSUYJOCSA-N 1 2 281.356 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370032478 267284805 /nfs/dbraw/zinc/28/48/05/267284805.db2.gz LHFAYUGTJSZWTO-PWSUYJOCSA-N 1 2 281.356 0.498 20 30 CCEDLO Cc1cc(NC[C@@H]2CCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000399591441 267300124 /nfs/dbraw/zinc/30/01/24/267300124.db2.gz QSIVZMALLCOJKH-NSHDSACASA-N 1 2 265.338 0.673 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000527192142 267332185 /nfs/dbraw/zinc/33/21/85/267332185.db2.gz ZHKHIKRAXBZDHZ-UHFFFAOYSA-N 1 2 284.319 0.982 20 30 CCEDLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1C#N ZINC000365267550 279336140 /nfs/dbraw/zinc/33/61/40/279336140.db2.gz XOUPXMJVPIRILU-LBPRGKRZSA-N 1 2 260.297 0.533 20 30 CCEDLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1C#N ZINC000365267550 279336142 /nfs/dbraw/zinc/33/61/42/279336142.db2.gz XOUPXMJVPIRILU-LBPRGKRZSA-N 1 2 260.297 0.533 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346877397 281231737 /nfs/dbraw/zinc/23/17/37/281231737.db2.gz XAOZTKKJBJTYAW-UHFFFAOYSA-N 1 2 251.330 0.660 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000346877397 281231738 /nfs/dbraw/zinc/23/17/38/281231738.db2.gz XAOZTKKJBJTYAW-UHFFFAOYSA-N 1 2 251.330 0.660 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000353996424 288382509 /nfs/dbraw/zinc/38/25/09/288382509.db2.gz DAPGOXXFSGMWQK-GXTWGEPZSA-N 1 2 283.372 0.078 20 30 CCEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000329928047 290097575 /nfs/dbraw/zinc/09/75/75/290097575.db2.gz MCMLNGLWERGIGL-GZBFAFLISA-N 1 2 292.383 0.650 20 30 CCEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000329928047 290097577 /nfs/dbraw/zinc/09/75/77/290097577.db2.gz MCMLNGLWERGIGL-GZBFAFLISA-N 1 2 292.383 0.650 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000329928047 290097580 /nfs/dbraw/zinc/09/75/80/290097580.db2.gz MCMLNGLWERGIGL-GZBFAFLISA-N 1 2 292.383 0.650 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]21 ZINC000329928047 290097582 /nfs/dbraw/zinc/09/75/82/290097582.db2.gz MCMLNGLWERGIGL-GZBFAFLISA-N 1 2 292.383 0.650 20 30 CCEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329545603 295388367 /nfs/dbraw/zinc/38/83/67/295388367.db2.gz GTWOXJYLIOBKIA-IGQOVBAYSA-N 1 2 295.383 0.342 20 30 CCEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)C1 ZINC000329732918 295389079 /nfs/dbraw/zinc/38/90/79/295389079.db2.gz JFHPOGIGHHKBBY-MRVPVSSYSA-N 1 2 263.301 0.453 20 30 CCEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)C1 ZINC000329732918 295389082 /nfs/dbraw/zinc/38/90/82/295389082.db2.gz JFHPOGIGHHKBBY-MRVPVSSYSA-N 1 2 263.301 0.453 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562987507 327735743 /nfs/dbraw/zinc/73/57/43/327735743.db2.gz RWYHNYGNMHHNRE-UHFFFAOYSA-N 1 2 298.324 0.376 20 30 CCEDLO C#CCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377338763 329011860 /nfs/dbraw/zinc/01/18/60/329011860.db2.gz BLBSRKLRPMRZKW-OLZOCXBDSA-N 1 2 286.397 0.135 20 30 CCEDLO CC(C)N(CCC#N)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000571175468 328090779 /nfs/dbraw/zinc/09/07/79/328090779.db2.gz FQQIRNFBOYDDOE-LBPRGKRZSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000290034282 328528383 /nfs/dbraw/zinc/52/83/83/328528383.db2.gz FFCXSCFBMMFXRF-UHFFFAOYSA-N 1 2 285.351 0.968 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000566309394 327299084 /nfs/dbraw/zinc/29/90/84/327299084.db2.gz PBUCUJASBAFSNR-GFCCVEGCSA-N 1 2 277.284 0.563 20 30 CCEDLO C#CCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000377614349 329020260 /nfs/dbraw/zinc/02/02/60/329020260.db2.gz HVSQJYAVZJTPIS-CQSZACIVSA-N 1 2 268.320 0.749 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000378413282 329049425 /nfs/dbraw/zinc/04/94/25/329049425.db2.gz DEMLSBYPTPDKKO-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000378413282 329049426 /nfs/dbraw/zinc/04/94/26/329049426.db2.gz DEMLSBYPTPDKKO-GFCCVEGCSA-N 1 2 297.355 0.012 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ncc1C#N ZINC000582889597 329285919 /nfs/dbraw/zinc/28/59/19/329285919.db2.gz MUAMKBUKFYFETQ-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)ncc1C#N ZINC000582889597 329285920 /nfs/dbraw/zinc/28/59/20/329285920.db2.gz MUAMKBUKFYFETQ-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187353152 329355519 /nfs/dbraw/zinc/35/55/19/329355519.db2.gz JRQHXSHHPHNDEC-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187353152 329355520 /nfs/dbraw/zinc/35/55/20/329355520.db2.gz JRQHXSHHPHNDEC-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO C#C[C@@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000187723279 329363022 /nfs/dbraw/zinc/36/30/22/329363022.db2.gz LBBLTQFELOUJRC-OCCSQVGLSA-N 1 2 297.424 0.515 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000188302855 329366049 /nfs/dbraw/zinc/36/60/49/329366049.db2.gz NOQZJLPREKACQI-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000188302855 329366051 /nfs/dbraw/zinc/36/60/51/329366051.db2.gz NOQZJLPREKACQI-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000189831952 329389497 /nfs/dbraw/zinc/38/94/97/329389497.db2.gz XJUSOZCMIKFOPA-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000189831952 329389499 /nfs/dbraw/zinc/38/94/99/329389499.db2.gz XJUSOZCMIKFOPA-UHFFFAOYSA-N 1 2 276.402 0.593 20 30 CCEDLO CN1CCC[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000583239918 329390944 /nfs/dbraw/zinc/39/09/44/329390944.db2.gz WDNWRTZVVLSVKA-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO COCCCS(=O)(=O)N1CC[NH+](CCCC#N)CC1 ZINC000132162909 329644097 /nfs/dbraw/zinc/64/40/97/329644097.db2.gz OUCBZKWWGXZWGN-UHFFFAOYSA-N 1 2 289.401 0.274 20 30 CCEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nnn1C(C)C ZINC000572291526 329972847 /nfs/dbraw/zinc/97/28/47/329972847.db2.gz QBWCHUXKHZZPKN-ZDUSSCGKSA-N 1 2 278.360 0.741 20 30 CCEDLO COC(=O)C1([NH2+]CCC(=O)N(C)CCC#N)CCCC1 ZINC000092807705 330413932 /nfs/dbraw/zinc/41/39/32/330413932.db2.gz HUZTUVJFUALLBC-UHFFFAOYSA-N 1 2 281.356 0.824 20 30 CCEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000451083213 331015226 /nfs/dbraw/zinc/01/52/26/331015226.db2.gz VNWDHHNURXQGKT-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000451083213 331015227 /nfs/dbraw/zinc/01/52/27/331015227.db2.gz VNWDHHNURXQGKT-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1[nH+]ccn1CC ZINC000451763619 331041406 /nfs/dbraw/zinc/04/14/06/331041406.db2.gz ZRUJYIZOHRHZFB-LLVKDONJSA-N 1 2 299.400 0.719 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452099699 331054171 /nfs/dbraw/zinc/05/41/71/331054171.db2.gz CZQJZZLIUVJRLV-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452099699 331054172 /nfs/dbraw/zinc/05/41/72/331054172.db2.gz CZQJZZLIUVJRLV-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCCCS(=O)(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000489082144 332040821 /nfs/dbraw/zinc/04/08/21/332040821.db2.gz WBMZDYUFQLTOGS-UHFFFAOYSA-N 1 2 290.429 0.983 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000489439675 332052575 /nfs/dbraw/zinc/05/25/75/332052575.db2.gz ZLGZUGCMSHFGMO-UHFFFAOYSA-N 1 2 290.429 0.671 20 30 CCEDLO C#CCN(CC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000490962499 332133723 /nfs/dbraw/zinc/13/37/23/332133723.db2.gz NVJPAMDSEASNPJ-UHFFFAOYSA-N 1 2 252.277 0.862 20 30 CCEDLO C#CCN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000491240765 332172096 /nfs/dbraw/zinc/17/20/96/332172096.db2.gz COLZYGBOOLBCCE-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO C#CC[N@@H+](C[C@@H](O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491242715 332173165 /nfs/dbraw/zinc/17/31/65/332173165.db2.gz RVTWHGBTHIGKIW-VXGBXAGGSA-N 1 2 259.371 0.126 20 30 CCEDLO C#CC[N@H+](C[C@@H](O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491242715 332173167 /nfs/dbraw/zinc/17/31/67/332173167.db2.gz RVTWHGBTHIGKIW-VXGBXAGGSA-N 1 2 259.371 0.126 20 30 CCEDLO C#CCNC(=O)c1ccc(NCc2c[nH+]cn2C)nc1 ZINC000491351997 332195784 /nfs/dbraw/zinc/19/57/84/332195784.db2.gz XFXRKIXRMNMYCW-UHFFFAOYSA-N 1 2 269.308 0.790 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491514534 332226682 /nfs/dbraw/zinc/22/66/82/332226682.db2.gz IOCFMFJKOPLEBA-JTQLQIEISA-N 1 2 270.292 0.753 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491615565 332243095 /nfs/dbraw/zinc/24/30/95/332243095.db2.gz FEWYPAPPCLBPFF-JTQLQIEISA-N 1 2 299.330 0.804 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491615565 332243097 /nfs/dbraw/zinc/24/30/97/332243097.db2.gz FEWYPAPPCLBPFF-JTQLQIEISA-N 1 2 299.330 0.804 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000491616850 332243939 /nfs/dbraw/zinc/24/39/39/332243939.db2.gz JLMMUBQIFOAICM-AWEZNQCLSA-N 1 2 276.340 0.732 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000491656645 332268379 /nfs/dbraw/zinc/26/83/79/332268379.db2.gz JKVKSWZQSSZTTC-ZDUSSCGKSA-N 1 2 276.340 0.707 20 30 CCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491692168 332288948 /nfs/dbraw/zinc/28/89/48/332288948.db2.gz AJIQTULJKMDWFL-UHFFFAOYSA-N 1 2 285.303 0.514 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000491697564 332292834 /nfs/dbraw/zinc/29/28/34/332292834.db2.gz BEJJWXDXMADGHH-NSHDSACASA-N 1 2 263.297 0.068 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc(C)on1 ZINC000491697564 332292835 /nfs/dbraw/zinc/29/28/35/332292835.db2.gz BEJJWXDXMADGHH-NSHDSACASA-N 1 2 263.297 0.068 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000491699513 332294211 /nfs/dbraw/zinc/29/42/11/332294211.db2.gz RRZSTBKKDHOONG-CYBMUJFWSA-N 1 2 287.363 0.373 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000491699513 332294212 /nfs/dbraw/zinc/29/42/12/332294212.db2.gz RRZSTBKKDHOONG-CYBMUJFWSA-N 1 2 287.363 0.373 20 30 CCEDLO C#CC[NH+]1CCN(Cn2c(=O)oc3ccc(F)cc32)CC1 ZINC000491738507 332318175 /nfs/dbraw/zinc/31/81/75/332318175.db2.gz FWFPKWREYUICPM-UHFFFAOYSA-N 1 2 289.310 0.942 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491738879 332318315 /nfs/dbraw/zinc/31/83/15/332318315.db2.gz MZUQXIJPJZHPPE-OAHLLOKOSA-N 1 2 272.348 0.868 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491738879 332318316 /nfs/dbraw/zinc/31/83/16/332318316.db2.gz MZUQXIJPJZHPPE-OAHLLOKOSA-N 1 2 272.348 0.868 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491741415 332320339 /nfs/dbraw/zinc/32/03/39/332320339.db2.gz FRTKWVDKUBNPPB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491744382 332322280 /nfs/dbraw/zinc/32/22/80/332322280.db2.gz ZCQYJLWKAUEGBB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491744382 332322281 /nfs/dbraw/zinc/32/22/81/332322281.db2.gz ZCQYJLWKAUEGBB-QWHCGFSZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[N@@H+](CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000491750923 332327206 /nfs/dbraw/zinc/32/72/06/332327206.db2.gz VXHZOYKUMQYZAE-ZDUSSCGKSA-N 1 2 281.381 0.314 20 30 CCEDLO C#CC[N@H+](CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000491750923 332327207 /nfs/dbraw/zinc/32/72/07/332327207.db2.gz VXHZOYKUMQYZAE-ZDUSSCGKSA-N 1 2 281.381 0.314 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(CC#N)c2)CC1 ZINC000491771595 332338175 /nfs/dbraw/zinc/33/81/75/332338175.db2.gz OXXMCRJCSWYTBN-UHFFFAOYSA-N 1 2 296.374 0.942 20 30 CCEDLO C#CCN(C1CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000491786214 332348801 /nfs/dbraw/zinc/34/88/01/332348801.db2.gz UBNQXQBIERUOLM-UHFFFAOYSA-N 1 2 286.397 0.136 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000491811183 332363893 /nfs/dbraw/zinc/36/38/93/332363893.db2.gz BULRJYAKEUJJRS-AWEZNQCLSA-N 1 2 258.321 0.880 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000491811183 332363894 /nfs/dbraw/zinc/36/38/94/332363894.db2.gz BULRJYAKEUJJRS-AWEZNQCLSA-N 1 2 258.321 0.880 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC1CC1 ZINC000007926111 333103469 /nfs/dbraw/zinc/10/34/69/333103469.db2.gz OYOVMGSEYPXHOU-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000007926111 333103470 /nfs/dbraw/zinc/10/34/70/333103470.db2.gz OYOVMGSEYPXHOU-CQSZACIVSA-N 1 2 280.372 0.251 20 30 CCEDLO CC#CCCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000184441903 333128630 /nfs/dbraw/zinc/12/86/30/333128630.db2.gz BGKSRUKRUROCIQ-CQSZACIVSA-N 1 2 282.384 0.332 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000133899953 334069529 /nfs/dbraw/zinc/06/95/29/334069529.db2.gz SYLNAJXWNGBCHF-AWEZNQCLSA-N 1 2 282.388 0.627 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133899953 334069530 /nfs/dbraw/zinc/06/95/30/334069530.db2.gz SYLNAJXWNGBCHF-AWEZNQCLSA-N 1 2 282.388 0.627 20 30 CCEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000076669010 334087026 /nfs/dbraw/zinc/08/70/26/334087026.db2.gz TZTXRMSWIXGYPS-UHFFFAOYSA-N 1 2 296.371 0.615 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000547660413 334106778 /nfs/dbraw/zinc/10/67/78/334106778.db2.gz WNYZAWMQUAILSP-LXVYMNJGSA-N 1 2 265.357 0.451 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000547660413 334106780 /nfs/dbraw/zinc/10/67/80/334106780.db2.gz WNYZAWMQUAILSP-LXVYMNJGSA-N 1 2 265.357 0.451 20 30 CCEDLO C#CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078498803 334134881 /nfs/dbraw/zinc/13/48/81/334134881.db2.gz MPMRPNNGDALUTJ-OAHLLOKOSA-N 1 2 287.363 0.820 20 30 CCEDLO C#CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078498803 334134883 /nfs/dbraw/zinc/13/48/83/334134883.db2.gz MPMRPNNGDALUTJ-OAHLLOKOSA-N 1 2 287.363 0.820 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CC(C)(C)C#N)CCO1 ZINC000548783530 334173991 /nfs/dbraw/zinc/17/39/91/334173991.db2.gz SXCNDGCZFGKWNS-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CC(C)(C)C#N)CCO1 ZINC000548783530 334173992 /nfs/dbraw/zinc/17/39/92/334173992.db2.gz SXCNDGCZFGKWNS-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C(N)=O)C1 ZINC000249531553 334335959 /nfs/dbraw/zinc/33/59/59/334335959.db2.gz BBUWMRJFGADVMB-IFUGULHKSA-N 1 2 292.383 0.381 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C(N)=O)C1 ZINC000249531553 334335960 /nfs/dbraw/zinc/33/59/60/334335960.db2.gz BBUWMRJFGADVMB-IFUGULHKSA-N 1 2 292.383 0.381 20 30 CCEDLO C=CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088592941 334339994 /nfs/dbraw/zinc/33/99/94/334339994.db2.gz KXZBIPXAQLAPKX-CYBMUJFWSA-N 1 2 251.374 0.801 20 30 CCEDLO C=CC[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088592941 334339996 /nfs/dbraw/zinc/33/99/96/334339996.db2.gz KXZBIPXAQLAPKX-CYBMUJFWSA-N 1 2 251.374 0.801 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)COC3)CC1 ZINC000155580693 334724373 /nfs/dbraw/zinc/72/43/73/334724373.db2.gz LSZQLVFYIWOJCP-UHFFFAOYSA-N 1 2 299.374 0.906 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000577148084 335309035 /nfs/dbraw/zinc/30/90/35/335309035.db2.gz DPUJZPQKTIEXFJ-UHFFFAOYSA-N 1 2 289.320 0.354 20 30 CCEDLO CN(CC[NH2+]CCC#N)S(=O)(=O)c1cccs1 ZINC000580642388 335309766 /nfs/dbraw/zinc/30/97/66/335309766.db2.gz VOFMGKWDELMTFM-UHFFFAOYSA-N 1 2 273.383 0.872 20 30 CCEDLO COc1cc(C)cnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577180552 335318116 /nfs/dbraw/zinc/31/81/16/335318116.db2.gz IJBQGLCOIVYNOE-CQSZACIVSA-N 1 2 276.340 0.972 20 30 CCEDLO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)c(C)[nH+]1 ZINC000179996016 335539211 /nfs/dbraw/zinc/53/92/11/335539211.db2.gz NLRQGTZJEXNVHK-MRVPVSSYSA-N 1 2 260.297 0.913 20 30 CCEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579480284 335769972 /nfs/dbraw/zinc/76/99/72/335769972.db2.gz BMUSWLSWRCIWFY-FZMZJTMJSA-N 1 2 277.372 0.559 20 30 CCEDLO C[C@H](Cc1cnn(C)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579480281 335769975 /nfs/dbraw/zinc/76/99/75/335769975.db2.gz BMUSWLSWRCIWFY-BXUZGUMPSA-N 1 2 277.372 0.559 20 30 CCEDLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000181793515 335785801 /nfs/dbraw/zinc/78/58/01/335785801.db2.gz HGLYYOVYVCURMT-GFCCVEGCSA-N 1 2 295.364 0.002 20 30 CCEDLO C[C@@H]1COCC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581136332 336014127 /nfs/dbraw/zinc/01/41/27/336014127.db2.gz XRRODWALDDTOAS-MDZLAQPJSA-N 1 2 253.346 0.619 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)CC(=O)NCCC ZINC000052246526 518905463 /nfs/dbraw/zinc/90/54/63/518905463.db2.gz GNSCLFIWAIYWIE-UHFFFAOYSA-N 1 2 298.387 0.236 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)CC(=O)NCCC ZINC000052246526 518905470 /nfs/dbraw/zinc/90/54/70/518905470.db2.gz GNSCLFIWAIYWIE-UHFFFAOYSA-N 1 2 298.387 0.236 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329110290 534588987 /nfs/dbraw/zinc/58/89/87/534588987.db2.gz JJBYPZFTTGTEME-NEPJUHHUSA-N 1 2 280.328 0.412 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329110290 534588996 /nfs/dbraw/zinc/58/89/96/534588996.db2.gz JJBYPZFTTGTEME-NEPJUHHUSA-N 1 2 280.328 0.412 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000330361133 534752797 /nfs/dbraw/zinc/75/27/97/534752797.db2.gz XYVZGTMIHPHIPR-NSHDSACASA-N 1 2 294.355 0.550 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330176828 534753146 /nfs/dbraw/zinc/75/31/46/534753146.db2.gz KHGAVYBZAAWGBD-CYBMUJFWSA-N 1 2 297.399 0.924 20 30 CCEDLO Cc1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000340180890 525728843 /nfs/dbraw/zinc/72/88/43/525728843.db2.gz GNIUSGOLLDEJTJ-AWEZNQCLSA-N 1 2 283.335 0.916 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353149631 526526737 /nfs/dbraw/zinc/52/67/37/526526737.db2.gz GTUNJTGLYRDQIG-UHFFFAOYSA-N 1 2 281.381 0.598 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000353149631 526526741 /nfs/dbraw/zinc/52/67/41/526526741.db2.gz GTUNJTGLYRDQIG-UHFFFAOYSA-N 1 2 281.381 0.598 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331813648 526901858 /nfs/dbraw/zinc/90/18/58/526901858.db2.gz HAENHQSGAJGWLU-DZGCQCFKSA-N 1 2 292.383 0.395 20 30 CCEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331813648 526901863 /nfs/dbraw/zinc/90/18/63/526901863.db2.gz HAENHQSGAJGWLU-DZGCQCFKSA-N 1 2 292.383 0.395 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000666512513 545124526 /nfs/dbraw/zinc/12/45/26/545124526.db2.gz DQFLRDAVDQMGFY-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000666512513 545124527 /nfs/dbraw/zinc/12/45/27/545124527.db2.gz DQFLRDAVDQMGFY-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347036625 527142648 /nfs/dbraw/zinc/14/26/48/527142648.db2.gz VTQOCWBXDDKJDE-GFCCVEGCSA-N 1 2 290.367 0.787 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667252349 545142387 /nfs/dbraw/zinc/14/23/87/545142387.db2.gz GKIKFLKEJCVOEE-MNOVXSKESA-N 1 2 266.345 0.965 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000667825886 545157186 /nfs/dbraw/zinc/15/71/86/545157186.db2.gz LVYWYLJUASJUMW-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000667825886 545157187 /nfs/dbraw/zinc/15/71/87/545157187.db2.gz LVYWYLJUASJUMW-CYBMUJFWSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000667999673 545160601 /nfs/dbraw/zinc/16/06/01/545160601.db2.gz LIJXDSMNDSPDNU-CQSZACIVSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCO)CC1 ZINC000353448927 527527050 /nfs/dbraw/zinc/52/70/50/527527050.db2.gz OYLSQZVKSOZNCN-AWEZNQCLSA-N 1 2 270.373 0.352 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC1CC(O)C1 ZINC000330334872 527717016 /nfs/dbraw/zinc/71/70/16/527717016.db2.gz RBPQSYQPOGBIIE-HTAVTVPLSA-N 1 2 256.346 0.825 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC1CC(O)C1 ZINC000330334872 527717021 /nfs/dbraw/zinc/71/70/21/527717021.db2.gz RBPQSYQPOGBIIE-HTAVTVPLSA-N 1 2 256.346 0.825 20 30 CCEDLO C=CCCOCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672209603 545265035 /nfs/dbraw/zinc/26/50/35/545265035.db2.gz QWXFOEUXOITGBJ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000263775097 535453528 /nfs/dbraw/zinc/45/35/28/535453528.db2.gz KSXJDTQDWJMEMS-LBPRGKRZSA-N 1 2 273.340 0.339 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000677048409 545357317 /nfs/dbraw/zinc/35/73/17/545357317.db2.gz WDNMKNSDNLKCAU-LBPRGKRZSA-N 1 2 277.368 0.211 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000679124312 545402300 /nfs/dbraw/zinc/40/23/00/545402300.db2.gz XBVJOKVICPQQIJ-KBPBESRZSA-N 1 2 284.425 0.593 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000682220489 545475732 /nfs/dbraw/zinc/47/57/32/545475732.db2.gz QHSWEJKPEDAQIV-CHWSQXEVSA-N 1 2 251.326 0.706 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000682220489 545475733 /nfs/dbraw/zinc/47/57/33/545475733.db2.gz QHSWEJKPEDAQIV-CHWSQXEVSA-N 1 2 251.326 0.706 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780087606 581219155 /nfs/dbraw/zinc/21/91/55/581219155.db2.gz CWTQLHSYRPXCQT-CQSZACIVSA-N 1 2 274.320 0.582 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000725806326 581136631 /nfs/dbraw/zinc/13/66/31/581136631.db2.gz RBJHSEVRBLJACJ-OAHLLOKOSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000725806326 581136634 /nfs/dbraw/zinc/13/66/34/581136634.db2.gz RBJHSEVRBLJACJ-OAHLLOKOSA-N 1 2 272.348 0.982 20 30 CCEDLO C#CCOCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000778682913 581163082 /nfs/dbraw/zinc/16/30/82/581163082.db2.gz WPANMPZXTXAJTP-NSHDSACASA-N 1 2 257.355 0.617 20 30 CCEDLO CCN(C)c1ccc(C=[NH+]NC(=S)NC)cn1 ZINC000790141657 581178114 /nfs/dbraw/zinc/17/81/14/581178114.db2.gz QYUJIIGAVNBABG-UHFFFAOYSA-N 1 2 251.359 0.966 20 30 CCEDLO Cc1c(C[N@H+](C)Cn2cccc(C#N)c2=O)cnn1C ZINC000790418879 581187017 /nfs/dbraw/zinc/18/70/17/581187017.db2.gz ZMRWHYLWOZXWBL-UHFFFAOYSA-N 1 2 271.324 0.851 20 30 CCEDLO Cc1c(C[N@@H+](C)Cn2cccc(C#N)c2=O)cnn1C ZINC000790418879 581187019 /nfs/dbraw/zinc/18/70/19/581187019.db2.gz ZMRWHYLWOZXWBL-UHFFFAOYSA-N 1 2 271.324 0.851 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000791311700 581213704 /nfs/dbraw/zinc/21/37/04/581213704.db2.gz IHALYPBPDKAZKJ-UHFFFAOYSA-N 1 2 261.325 0.274 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257194 581234543 /nfs/dbraw/zinc/23/45/43/581234543.db2.gz QTURRFLLJXMXKT-NEPJUHHUSA-N 1 2 268.361 0.508 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257194 581234545 /nfs/dbraw/zinc/23/45/45/581234545.db2.gz QTURRFLLJXMXKT-NEPJUHHUSA-N 1 2 268.361 0.508 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nccc(C)n2)CC1 ZINC000792122764 581248657 /nfs/dbraw/zinc/24/86/57/581248657.db2.gz ZBXSZHPHBZNAKV-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726790164 581251310 /nfs/dbraw/zinc/25/13/10/581251310.db2.gz AOBIITGZTNOBDG-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726790164 581251311 /nfs/dbraw/zinc/25/13/11/581251311.db2.gz AOBIITGZTNOBDG-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC000726802273 581253417 /nfs/dbraw/zinc/25/34/17/581253417.db2.gz ZHCSCALQWZGVOX-UHFFFAOYSA-N 1 2 250.342 0.581 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccc(-n3cccn3)nn2)cn1 ZINC000781589139 581272415 /nfs/dbraw/zinc/27/24/15/581272415.db2.gz DNFYGAJOIBDKTG-UHFFFAOYSA-N 1 2 281.283 0.481 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCn2cc[nH+]c2)nc1 ZINC000782020504 581285811 /nfs/dbraw/zinc/28/58/11/581285811.db2.gz TZUUYZSFUVXPSW-UHFFFAOYSA-N 1 2 255.281 0.856 20 30 CCEDLO C[C@@H](C(=O)NO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000782170113 581290792 /nfs/dbraw/zinc/29/07/92/581290792.db2.gz WUDLNUVKYKPWNR-JTQLQIEISA-N 1 2 267.304 0.842 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000793488233 581300787 /nfs/dbraw/zinc/30/07/87/581300787.db2.gz JWMNAMFUSNSOCX-CYBMUJFWSA-N 1 2 273.340 0.541 20 30 CCEDLO N#C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCN1C1CC1 ZINC000793488233 581300790 /nfs/dbraw/zinc/30/07/90/581300790.db2.gz JWMNAMFUSNSOCX-CYBMUJFWSA-N 1 2 273.340 0.541 20 30 CCEDLO C=CC[N@H+](CN1C(=O)NC2(CCOCC2)C1=O)C(C)C ZINC000727819393 581334753 /nfs/dbraw/zinc/33/47/53/581334753.db2.gz UTULQRWIKBFLGL-UHFFFAOYSA-N 1 2 281.356 0.941 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)NC2(CCOCC2)C1=O)C(C)C ZINC000727819393 581334755 /nfs/dbraw/zinc/33/47/55/581334755.db2.gz UTULQRWIKBFLGL-UHFFFAOYSA-N 1 2 281.356 0.941 20 30 CCEDLO C#CCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000784176451 581375310 /nfs/dbraw/zinc/37/53/10/581375310.db2.gz FMAGQNQFPZNARC-UHFFFAOYSA-N 1 2 299.334 0.716 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)nc1 ZINC000728854851 581377491 /nfs/dbraw/zinc/37/74/91/581377491.db2.gz CUEQEXDMTUVFJB-UHFFFAOYSA-N 1 2 259.309 0.125 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000786442365 581440994 /nfs/dbraw/zinc/44/09/94/581440994.db2.gz FXCPTXIUTIPOJG-GMXVVIOVSA-N 1 2 264.325 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000786442365 581440995 /nfs/dbraw/zinc/44/09/95/581440995.db2.gz FXCPTXIUTIPOJG-GMXVVIOVSA-N 1 2 264.325 0.009 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000787762610 581477265 /nfs/dbraw/zinc/47/72/65/581477265.db2.gz WYMGKKAASMLYGD-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO CNC(=S)NN=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755472005 581527025 /nfs/dbraw/zinc/52/70/25/581527025.db2.gz OCSBSSDWGXEFMV-UHFFFAOYSA-N 1 2 299.363 0.948 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753822583 581560015 /nfs/dbraw/zinc/56/00/15/581560015.db2.gz UQALZBWSBFBIKA-UHFFFAOYSA-N 1 2 273.292 0.008 20 30 CCEDLO C#CCCC[N@H+](CCN1CCOCC1)CC(=O)OC ZINC000766906100 581586148 /nfs/dbraw/zinc/58/61/48/581586148.db2.gz NZTGGYHHRHCKJD-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C#CCCC[N@@H+](CCN1CCOCC1)CC(=O)OC ZINC000766906100 581586149 /nfs/dbraw/zinc/58/61/49/581586149.db2.gz NZTGGYHHRHCKJD-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C#CCCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000766906100 581586151 /nfs/dbraw/zinc/58/61/51/581586151.db2.gz NZTGGYHHRHCKJD-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000754347515 581587154 /nfs/dbraw/zinc/58/71/54/581587154.db2.gz UKGHXOQDAQWSTE-NSHDSACASA-N 1 2 250.298 0.615 20 30 CCEDLO CN1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000734834590 581590764 /nfs/dbraw/zinc/59/07/64/581590764.db2.gz YEBQPOBMDQQVSK-SNVBAGLBSA-N 1 2 251.261 0.693 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000767090424 581595994 /nfs/dbraw/zinc/59/59/94/581595994.db2.gz HOIXKFUNASXQDW-UHFFFAOYSA-N 1 2 279.384 0.444 20 30 CCEDLO Cn1ncc2c1nc(NCc1ccc(C#N)cn1)[nH+]c2N ZINC000767333159 581607002 /nfs/dbraw/zinc/60/70/02/581607002.db2.gz VGIOVLJALWSWRW-UHFFFAOYSA-N 1 2 280.295 0.824 20 30 CCEDLO C=CCNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729647895 581608602 /nfs/dbraw/zinc/60/86/02/581608602.db2.gz PDLGTAFJHHOLST-QWRGUYRKSA-N 1 2 257.403 0.746 20 30 CCEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCC(=O)N1CCCC1 ZINC000739914902 581634671 /nfs/dbraw/zinc/63/46/71/581634671.db2.gz RQVKNXIKMIVISO-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCC(=O)N1CCCC1 ZINC000739914902 581634673 /nfs/dbraw/zinc/63/46/73/581634673.db2.gz RQVKNXIKMIVISO-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=C(C)CNC(=S)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000769794658 581706556 /nfs/dbraw/zinc/70/65/56/581706556.db2.gz PYILELQKQUMTMX-GHMZBOCLSA-N 1 2 257.403 0.746 20 30 CCEDLO C=C(C)CNC(=S)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000769794658 581706557 /nfs/dbraw/zinc/70/65/57/581706557.db2.gz PYILELQKQUMTMX-GHMZBOCLSA-N 1 2 257.403 0.746 20 30 CCEDLO C#CCNC(=S)NCc1cccnc1-n1cc[nH+]c1 ZINC000758192912 581726373 /nfs/dbraw/zinc/72/63/73/581726373.db2.gz QLXIIRPIODAWGQ-UHFFFAOYSA-N 1 2 271.349 0.865 20 30 CCEDLO C[N@H+](CCc1cnccn1)Cn1cccc(C#N)c1=O ZINC000758249753 581731906 /nfs/dbraw/zinc/73/19/06/581731906.db2.gz SSZHWZFTTIUYSU-UHFFFAOYSA-N 1 2 269.308 0.642 20 30 CCEDLO C[N@@H+](CCc1cnccn1)Cn1cccc(C#N)c1=O ZINC000758249753 581731910 /nfs/dbraw/zinc/73/19/10/581731910.db2.gz SSZHWZFTTIUYSU-UHFFFAOYSA-N 1 2 269.308 0.642 20 30 CCEDLO Cc1ccc2[nH+]cc(C=NN3C(=O)CNC3=O)n2c1 ZINC000770614126 581755607 /nfs/dbraw/zinc/75/56/07/581755607.db2.gz FDGHLKAUJYYRSL-UHFFFAOYSA-N 1 2 257.253 0.528 20 30 CCEDLO Cc1nc(NCCNC(=O)C2N=CC=CC2=O)cc[nH+]1 ZINC000742407275 581780811 /nfs/dbraw/zinc/78/08/11/581780811.db2.gz GXUMEJYBPNKDGY-SEYXRHQNSA-N 1 2 273.296 0.723 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC000744364500 581840122 /nfs/dbraw/zinc/84/01/22/581840122.db2.gz HLXXDFDXCIHUGN-UHFFFAOYSA-N 1 2 260.341 0.510 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CN3CCCC3=O)CC2)n1 ZINC000760551077 581864372 /nfs/dbraw/zinc/86/43/72/581864372.db2.gz KMDVTVADUUFHAU-UHFFFAOYSA-N 1 2 285.351 0.655 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000733160828 581868624 /nfs/dbraw/zinc/86/86/24/581868624.db2.gz APCIIANWMWKNOM-UHFFFAOYSA-N 1 2 260.341 0.855 20 30 CCEDLO C#C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000772876225 581894685 /nfs/dbraw/zinc/89/46/85/581894685.db2.gz BBKFCNBYSOKACY-QWHCGFSZSA-N 1 2 261.325 0.960 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC(O)(C(C)C)C1 ZINC000773892682 581946055 /nfs/dbraw/zinc/94/60/55/581946055.db2.gz JRFILQMRLCOCRC-LBPRGKRZSA-N 1 2 267.373 0.697 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000749306109 582002416 /nfs/dbraw/zinc/00/24/16/582002416.db2.gz MGMMVHJTJZISHD-QMMMGPOBSA-N 1 2 283.191 0.648 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000749306109 582002418 /nfs/dbraw/zinc/00/24/18/582002418.db2.gz MGMMVHJTJZISHD-QMMMGPOBSA-N 1 2 283.191 0.648 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)[C@H]1CCCO1 ZINC000775804813 582040628 /nfs/dbraw/zinc/04/06/28/582040628.db2.gz CJWHPBGFVPXIGO-WDEREUQCSA-N 1 2 263.345 0.699 20 30 CCEDLO CC[C@@]1(C)NC(=O)N(N=Cc2ccc[nH+]c2N)C1=O ZINC000764659633 582061583 /nfs/dbraw/zinc/06/15/83/582061583.db2.gz MODQNSFQQAIRTK-GFCCVEGCSA-N 1 2 261.285 0.718 20 30 CCEDLO C#CCCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764797890 582069019 /nfs/dbraw/zinc/06/90/19/582069019.db2.gz OMRRCEJQAYJNEJ-UHFFFAOYSA-N 1 2 279.384 0.954 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\SC)CC1 ZINC000751466848 582082521 /nfs/dbraw/zinc/08/25/21/582082521.db2.gz RDEVWNDSRFCLBN-WZUFQYTHSA-N 1 2 295.408 0.147 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\SC)CC1 ZINC000751466848 582082524 /nfs/dbraw/zinc/08/25/24/582082524.db2.gz RDEVWNDSRFCLBN-WZUFQYTHSA-N 1 2 295.408 0.147 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000752085537 582100405 /nfs/dbraw/zinc/10/04/05/582100405.db2.gz XDOAORRIDLSRIS-UHFFFAOYSA-N 1 2 252.767 0.706 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000752085537 582100406 /nfs/dbraw/zinc/10/04/06/582100406.db2.gz XDOAORRIDLSRIS-UHFFFAOYSA-N 1 2 252.767 0.706 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859600715 612984601 /nfs/dbraw/zinc/98/46/01/612984601.db2.gz IIOSTBOTEUGENK-NWDGAFQWSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCOCC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859600715 612984602 /nfs/dbraw/zinc/98/46/02/612984602.db2.gz IIOSTBOTEUGENK-NWDGAFQWSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(C)n2C)C1 ZINC000951371715 612993036 /nfs/dbraw/zinc/99/30/36/612993036.db2.gz FPCQKYFTORMMEI-UHFFFAOYSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000828786585 612948082 /nfs/dbraw/zinc/94/80/82/612948082.db2.gz JKJKTNCDWVYEEN-MNOVXSKESA-N 1 2 271.311 0.150 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000828786585 612948083 /nfs/dbraw/zinc/94/80/83/612948083.db2.gz JKJKTNCDWVYEEN-MNOVXSKESA-N 1 2 271.311 0.150 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007207226 649931311 /nfs/dbraw/zinc/93/13/11/649931311.db2.gz WYSGYDNPVJQTPH-CYBMUJFWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007207226 649931312 /nfs/dbraw/zinc/93/13/12/649931312.db2.gz WYSGYDNPVJQTPH-CYBMUJFWSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)C1 ZINC000890525122 612957719 /nfs/dbraw/zinc/95/77/19/612957719.db2.gz MDHWSZULDHXIHZ-CHWSQXEVSA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC1(O)CN(C(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)C1 ZINC000890525122 612957721 /nfs/dbraw/zinc/95/77/21/612957721.db2.gz MDHWSZULDHXIHZ-CHWSQXEVSA-N 1 2 280.368 0.082 20 30 CCEDLO C#CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C1CSC1 ZINC000878913659 613098328 /nfs/dbraw/zinc/09/83/28/613098328.db2.gz VXHSUVHZRZGDMR-VIFPVBQESA-N 1 2 269.370 0.271 20 30 CCEDLO C#CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C1CSC1 ZINC000878913659 613098330 /nfs/dbraw/zinc/09/83/30/613098330.db2.gz VXHSUVHZRZGDMR-VIFPVBQESA-N 1 2 269.370 0.271 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826396223 609375032 /nfs/dbraw/zinc/37/50/32/609375032.db2.gz NHMIMXLTFICMQM-UHFFFAOYSA-N 1 2 281.283 0.685 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)no1)[C@H]1CCCO1 ZINC000877413986 613099598 /nfs/dbraw/zinc/09/95/98/613099598.db2.gz UJOACCUEYQMGJR-ZYHUDNBSSA-N 1 2 264.281 0.732 20 30 CCEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000862229239 613109224 /nfs/dbraw/zinc/10/92/24/613109224.db2.gz BDNYUCNIRZJAOP-GFCCVEGCSA-N 1 2 281.381 0.649 20 30 CCEDLO C#CCC1(O)CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000895160316 612973991 /nfs/dbraw/zinc/97/39/91/612973991.db2.gz FVAKSFNYWHHFMD-UHFFFAOYSA-N 1 2 260.341 0.897 20 30 CCEDLO C#CCC1(O)CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000895160316 612973992 /nfs/dbraw/zinc/97/39/92/612973992.db2.gz FVAKSFNYWHHFMD-UHFFFAOYSA-N 1 2 260.341 0.897 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000854424063 614326728 /nfs/dbraw/zinc/32/67/28/614326728.db2.gz NQRZJJXSIOFULZ-KGLIPLIRSA-N 1 2 264.369 0.967 20 30 CCEDLO COc1ccc(C[N@H+](C)CCS(N)(=O)=O)cc1C#N ZINC000877826839 617248103 /nfs/dbraw/zinc/24/81/03/617248103.db2.gz IBWPEMWVRLSPJH-UHFFFAOYSA-N 1 2 283.353 0.287 20 30 CCEDLO COc1ccc(C[N@@H+](C)CCS(N)(=O)=O)cc1C#N ZINC000877826839 617248105 /nfs/dbraw/zinc/24/81/05/617248105.db2.gz IBWPEMWVRLSPJH-UHFFFAOYSA-N 1 2 283.353 0.287 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000951870252 617290044 /nfs/dbraw/zinc/29/00/44/617290044.db2.gz PMRORTMCZCENED-RYUDHWBXSA-N 1 2 289.339 0.150 20 30 CCEDLO C#CC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000882310245 612964781 /nfs/dbraw/zinc/96/47/81/612964781.db2.gz XQUOEHKASANUKC-UHFFFAOYSA-N 1 2 267.354 0.558 20 30 CCEDLO C#CCC1(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC000914084602 612969591 /nfs/dbraw/zinc/96/95/91/612969591.db2.gz KUJOXFDDMPSWJI-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000851822384 612983461 /nfs/dbraw/zinc/98/34/61/612983461.db2.gz OEJFPDKKKUJNPO-UHFFFAOYSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CCOCC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC000851957315 612983526 /nfs/dbraw/zinc/98/35/26/612983526.db2.gz MEYLNTWNNCAVTN-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO C#CCOCC[N@@H+]1CCN(CCC)C(=O)C1(C)C ZINC000851957315 612983527 /nfs/dbraw/zinc/98/35/27/612983527.db2.gz MEYLNTWNNCAVTN-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000856387330 612988562 /nfs/dbraw/zinc/98/85/62/612988562.db2.gz AYSHHCROIZMUAW-ZDUSSCGKSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]c(C)n2)C1 ZINC000949784064 612992984 /nfs/dbraw/zinc/99/29/84/612992984.db2.gz DYMJGCRVDIGDRW-UHFFFAOYSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000862534368 613007832 /nfs/dbraw/zinc/00/78/32/613007832.db2.gz AGCTVUJIMRBPSM-CQSZACIVSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000862534368 613007833 /nfs/dbraw/zinc/00/78/33/613007833.db2.gz AGCTVUJIMRBPSM-CQSZACIVSA-N 1 2 288.347 0.775 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000825077591 613009632 /nfs/dbraw/zinc/00/96/32/613009632.db2.gz BPQBHWPNMRUMDX-CYBMUJFWSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 ZINC000949304864 613010704 /nfs/dbraw/zinc/01/07/04/613010704.db2.gz GQUFROYTCUUBJP-UHFFFAOYSA-N 1 2 289.335 0.165 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC000950444548 613010915 /nfs/dbraw/zinc/01/09/15/613010915.db2.gz IXUOUYRKMDFVQD-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823053248 613024124 /nfs/dbraw/zinc/02/41/24/613024124.db2.gz NGKJHFUUBOVOTJ-UWVGGRQHSA-N 1 2 289.257 0.877 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869498309 613031301 /nfs/dbraw/zinc/03/13/01/613031301.db2.gz LFTMXGPBXPAHII-BPJJOFIESA-N 1 2 266.341 0.029 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000888038200 613045681 /nfs/dbraw/zinc/04/56/81/613045681.db2.gz PKPWBSLOHLMTJD-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000888038200 613045682 /nfs/dbraw/zinc/04/56/82/613045682.db2.gz PKPWBSLOHLMTJD-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000859179653 613050287 /nfs/dbraw/zinc/05/02/87/613050287.db2.gz VGGHDJDUOCXGCN-TXEJJXNPSA-N 1 2 252.314 0.599 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000859179653 613050288 /nfs/dbraw/zinc/05/02/88/613050288.db2.gz VGGHDJDUOCXGCN-TXEJJXNPSA-N 1 2 252.314 0.599 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCCn1cc[nH+]c1 ZINC000858271994 613063356 /nfs/dbraw/zinc/06/33/56/613063356.db2.gz AKQWJIZLFTZYHQ-LLVKDONJSA-N 1 2 250.302 0.221 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000914083461 613067697 /nfs/dbraw/zinc/06/76/97/613067697.db2.gz SGYIKQGNCIACEH-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000820429224 613080475 /nfs/dbraw/zinc/08/04/75/613080475.db2.gz VXOAAFJCRYINDV-CHWSQXEVSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000812020511 613084004 /nfs/dbraw/zinc/08/40/04/613084004.db2.gz CYUQGDQSWCCZPD-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000812020511 613084002 /nfs/dbraw/zinc/08/40/02/613084002.db2.gz CYUQGDQSWCCZPD-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCOCC1 ZINC000856102242 613092012 /nfs/dbraw/zinc/09/20/12/613092012.db2.gz AFQYHLHZUCBNRL-CYBMUJFWSA-N 1 2 261.325 0.887 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCOCC1 ZINC000856102242 613092015 /nfs/dbraw/zinc/09/20/15/613092015.db2.gz AFQYHLHZUCBNRL-CYBMUJFWSA-N 1 2 261.325 0.887 20 30 CCEDLO C#CCN(CC)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930580622 613106340 /nfs/dbraw/zinc/10/63/40/613106340.db2.gz XUVWEVZPZGZMAN-KGLIPLIRSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+](CCC[C@H]1CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624586 613107657 /nfs/dbraw/zinc/10/76/57/613107657.db2.gz GSMMPLGSBQGOJF-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCC[C@H]1CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624586 613107659 /nfs/dbraw/zinc/10/76/59/613107659.db2.gz GSMMPLGSBQGOJF-OLZOCXBDSA-N 1 2 271.382 0.678 20 30 CCEDLO C#C[C@@](C)(CC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868629579 613112443 /nfs/dbraw/zinc/11/24/43/613112443.db2.gz KSYYBYBDVXYUEK-AFNCTOJWSA-N 1 2 250.342 0.793 20 30 CCEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000821004993 613112758 /nfs/dbraw/zinc/11/27/58/613112758.db2.gz VZSYEJWVIYLWLP-YCPHGPKFSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC000941491546 613114793 /nfs/dbraw/zinc/11/47/93/613114793.db2.gz OSECKALKFCMWCH-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(C)c3)CC2)C1 ZINC000941611075 613116203 /nfs/dbraw/zinc/11/62/03/613116203.db2.gz KKJCOQQSROIKAJ-UHFFFAOYSA-N 1 2 298.390 0.465 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000820394445 613117230 /nfs/dbraw/zinc/11/72/30/613117230.db2.gz KTQZNXTWAWAPOU-TUAOUCFPSA-N 1 2 253.346 0.417 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000820394445 613117232 /nfs/dbraw/zinc/11/72/32/613117232.db2.gz KTQZNXTWAWAPOU-TUAOUCFPSA-N 1 2 253.346 0.417 20 30 CCEDLO C#CCN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326069 613117941 /nfs/dbraw/zinc/11/79/41/613117941.db2.gz MZVQIQXHACIFCU-UKRRQHHQSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CCN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326069 613117942 /nfs/dbraw/zinc/11/79/42/613117942.db2.gz MZVQIQXHACIFCU-UKRRQHHQSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000970338152 613123837 /nfs/dbraw/zinc/12/38/37/613123837.db2.gz JCPWMCPLZNJCSZ-JQWIXIFHSA-N 1 2 287.367 0.294 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000812020451 613139327 /nfs/dbraw/zinc/13/93/27/613139327.db2.gz BPOWECMAFUJJGL-STQMWFEESA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000812020451 613139330 /nfs/dbraw/zinc/13/93/30/613139330.db2.gz BPOWECMAFUJJGL-STQMWFEESA-N 1 2 267.373 0.664 20 30 CCEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000969076677 613147470 /nfs/dbraw/zinc/14/74/70/613147470.db2.gz YGOKYMKVDGWKCA-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC000969076677 613147472 /nfs/dbraw/zinc/14/74/72/613147472.db2.gz YGOKYMKVDGWKCA-LLVKDONJSA-N 1 2 261.329 0.412 20 30 CCEDLO C#C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000851949686 613150964 /nfs/dbraw/zinc/15/09/64/613150964.db2.gz HOYOUCDSICMMRF-WDEREUQCSA-N 1 2 284.337 0.197 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000923558168 613173709 /nfs/dbraw/zinc/17/37/09/613173709.db2.gz WSVWWUHOKXRPDY-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000923558168 613173711 /nfs/dbraw/zinc/17/37/11/613173711.db2.gz WSVWWUHOKXRPDY-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000890366556 613187637 /nfs/dbraw/zinc/18/76/37/613187637.db2.gz AZCPJBNZCZSWET-MNOVXSKESA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000890366556 613187638 /nfs/dbraw/zinc/18/76/38/613187638.db2.gz AZCPJBNZCZSWET-MNOVXSKESA-N 1 2 276.344 0.263 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)nc1 ZINC000807283240 613188753 /nfs/dbraw/zinc/18/87/53/613188753.db2.gz XYFAUDSMPMKSLC-CYBMUJFWSA-N 1 2 298.302 0.231 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566615 613189606 /nfs/dbraw/zinc/18/96/06/613189606.db2.gz MPHAJAWXFSKTRP-CABCVRRESA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000923559949 613190236 /nfs/dbraw/zinc/19/02/36/613190236.db2.gz WDEHAVVOWFEQCF-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC000923559949 613190237 /nfs/dbraw/zinc/19/02/37/613190237.db2.gz WDEHAVVOWFEQCF-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(CC)no2)C1 ZINC000902729737 613192443 /nfs/dbraw/zinc/19/24/43/613192443.db2.gz MPCWEWNTQKCLPE-JTQLQIEISA-N 1 2 262.313 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(CC)no2)C1 ZINC000902729737 613192445 /nfs/dbraw/zinc/19/24/45/613192445.db2.gz MPCWEWNTQKCLPE-JTQLQIEISA-N 1 2 262.313 0.459 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000885509671 613193112 /nfs/dbraw/zinc/19/31/12/613193112.db2.gz WBVNSRJRPMOPMV-ZDUSSCGKSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000885509671 613193113 /nfs/dbraw/zinc/19/31/13/613193113.db2.gz WBVNSRJRPMOPMV-ZDUSSCGKSA-N 1 2 293.392 0.645 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C(C)C)nn1 ZINC000848118757 613199933 /nfs/dbraw/zinc/19/99/33/613199933.db2.gz RBVNUNZEPDPQJI-ZDUSSCGKSA-N 1 2 275.356 0.573 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C(C)C)nn1 ZINC000848118757 613199934 /nfs/dbraw/zinc/19/99/34/613199934.db2.gz RBVNUNZEPDPQJI-ZDUSSCGKSA-N 1 2 275.356 0.573 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000837257929 613202579 /nfs/dbraw/zinc/20/25/79/613202579.db2.gz IVTUHWACFRBRKI-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000837257929 613202582 /nfs/dbraw/zinc/20/25/82/613202582.db2.gz IVTUHWACFRBRKI-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#Cc1cccnc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000853370039 613208557 /nfs/dbraw/zinc/20/85/57/613208557.db2.gz XPQCKXJBEXAXCP-LJQANCHMSA-N 1 2 277.393 0.563 20 30 CCEDLO C#Cc1cnc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc1 ZINC000827584551 613209836 /nfs/dbraw/zinc/20/98/36/613209836.db2.gz VXLQEDIQWYDZMX-UHFFFAOYSA-N 1 2 282.351 0.514 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnon3)CC2)C1 ZINC000949499413 613210178 /nfs/dbraw/zinc/21/01/78/613210178.db2.gz PKZBLWFBAVNFTL-UHFFFAOYSA-N 1 2 290.323 0.010 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnon3)CC2)C1 ZINC000949499413 613210179 /nfs/dbraw/zinc/21/01/79/613210179.db2.gz PKZBLWFBAVNFTL-UHFFFAOYSA-N 1 2 290.323 0.010 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542723 613210871 /nfs/dbraw/zinc/21/08/71/613210871.db2.gz CDWYDDZDIJDZBG-HNNXBMFYSA-N 1 2 280.343 0.673 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542723 613210873 /nfs/dbraw/zinc/21/08/73/613210873.db2.gz CDWYDDZDIJDZBG-HNNXBMFYSA-N 1 2 280.343 0.673 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC000947467855 613258772 /nfs/dbraw/zinc/25/87/72/613258772.db2.gz FXNCMUHZHLUCPA-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC000947467855 613258773 /nfs/dbraw/zinc/25/87/73/613258773.db2.gz FXNCMUHZHLUCPA-YPMHNXCESA-N 1 2 298.408 0.023 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3n(n2)CCO3)C1 ZINC000950518572 613296606 /nfs/dbraw/zinc/29/66/06/613296606.db2.gz PKWUQVKUCHDWKE-UHFFFAOYSA-N 1 2 290.367 0.998 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2N)C1 ZINC000949936910 613297314 /nfs/dbraw/zinc/29/73/14/613297314.db2.gz BMHPMSMXCLJNQL-UHFFFAOYSA-N 1 2 277.372 0.725 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852603895 613325410 /nfs/dbraw/zinc/32/54/10/613325410.db2.gz WIFCWXCHFLCCLI-MWLCHTKSSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852603895 613325412 /nfs/dbraw/zinc/32/54/12/613325412.db2.gz WIFCWXCHFLCCLI-MWLCHTKSSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000851929852 613331161 /nfs/dbraw/zinc/33/11/61/613331161.db2.gz SEZMVWVKBZIZAA-LLVKDONJSA-N 1 2 275.356 0.405 20 30 CCEDLO C=C(C)CNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849288718 613346604 /nfs/dbraw/zinc/34/66/04/613346604.db2.gz DJKVKCNDVFEWFX-GFCCVEGCSA-N 1 2 269.414 0.844 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000882896595 613355319 /nfs/dbraw/zinc/35/53/19/613355319.db2.gz MDBWZOCUVCOVJP-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000970021151 613371513 /nfs/dbraw/zinc/37/15/13/613371513.db2.gz RDIZSBQMAFTPPC-MNOVXSKESA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000969883979 613372270 /nfs/dbraw/zinc/37/22/70/613372270.db2.gz LMUGUESSPXYVRA-CMPLNLGQSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C(C)(C)C1 ZINC000972862748 613380826 /nfs/dbraw/zinc/38/08/26/613380826.db2.gz MJQKKIUZZZANJB-MNOVXSKESA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C(C)(C)C1 ZINC000972862748 613380827 /nfs/dbraw/zinc/38/08/27/613380827.db2.gz MJQKKIUZZZANJB-MNOVXSKESA-N 1 2 299.802 0.844 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429461 613398047 /nfs/dbraw/zinc/39/80/47/613398047.db2.gz HLSCGYBTFYIRON-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000878429461 613398050 /nfs/dbraw/zinc/39/80/50/613398050.db2.gz HLSCGYBTFYIRON-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000878720988 613411682 /nfs/dbraw/zinc/41/16/82/613411682.db2.gz SQRFSKBJYZFDTH-CYBMUJFWSA-N 1 2 278.356 0.645 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795793 613412265 /nfs/dbraw/zinc/41/22/65/613412265.db2.gz VKYQOUXDEWQEIW-MWLCHTKSSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795793 613412266 /nfs/dbraw/zinc/41/22/66/613412266.db2.gz VKYQOUXDEWQEIW-MWLCHTKSSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000905778490 613419174 /nfs/dbraw/zinc/41/91/74/613419174.db2.gz KGKQCAWVLMJNSN-SDDRHHMPSA-N 1 2 257.330 0.745 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000898504273 613430139 /nfs/dbraw/zinc/43/01/39/613430139.db2.gz PLNQNCVAULTFEE-LLVKDONJSA-N 1 2 281.335 0.628 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)nn1 ZINC000898504273 613430140 /nfs/dbraw/zinc/43/01/40/613430140.db2.gz PLNQNCVAULTFEE-LLVKDONJSA-N 1 2 281.335 0.628 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981753390 613431314 /nfs/dbraw/zinc/43/13/14/613431314.db2.gz DLZQXBIEPUXMPN-UHFFFAOYSA-N 1 2 253.346 0.218 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981753390 613431317 /nfs/dbraw/zinc/43/13/17/613431317.db2.gz DLZQXBIEPUXMPN-UHFFFAOYSA-N 1 2 253.346 0.218 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000800337765 613441693 /nfs/dbraw/zinc/44/16/93/613441693.db2.gz NPRHXNUUOLBLFC-MNOVXSKESA-N 1 2 255.314 0.799 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000800337765 613441694 /nfs/dbraw/zinc/44/16/94/613441694.db2.gz NPRHXNUUOLBLFC-MNOVXSKESA-N 1 2 255.314 0.799 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898892381 613455690 /nfs/dbraw/zinc/45/56/90/613455690.db2.gz PXUPYNBSWSGFFT-QMMMGPOBSA-N 1 2 259.256 0.781 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000924808053 613472426 /nfs/dbraw/zinc/47/24/26/613472426.db2.gz YWWQEPWTYWZPNE-AVGNSLFASA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000924808053 613472427 /nfs/dbraw/zinc/47/24/27/613472427.db2.gz YWWQEPWTYWZPNE-AVGNSLFASA-N 1 2 295.383 0.982 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912614645 613476779 /nfs/dbraw/zinc/47/67/79/613476779.db2.gz PBFFDRXZHRLQGY-RISCZKNCSA-N 1 2 281.356 0.799 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000981887309 613501921 /nfs/dbraw/zinc/50/19/21/613501921.db2.gz AHMFKSMQEHIANI-IUODEOHRSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000981887309 613501922 /nfs/dbraw/zinc/50/19/22/613501922.db2.gz AHMFKSMQEHIANI-IUODEOHRSA-N 1 2 281.400 0.997 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000930590690 613524236 /nfs/dbraw/zinc/52/42/36/613524236.db2.gz WYHFBTCAHCUUAX-GFCCVEGCSA-N 1 2 252.358 0.967 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000930590690 613524237 /nfs/dbraw/zinc/52/42/37/613524237.db2.gz WYHFBTCAHCUUAX-GFCCVEGCSA-N 1 2 252.358 0.967 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000941366084 613529002 /nfs/dbraw/zinc/52/90/02/613529002.db2.gz KWTMXPFHTDZBTF-LHHJGKSTSA-N 1 2 275.396 0.804 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC000941584876 613529766 /nfs/dbraw/zinc/52/97/66/613529766.db2.gz GNONNDXZDZIBKZ-OAHLLOKOSA-N 1 2 287.407 0.638 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccncn2)CC1 ZINC000948580770 613562086 /nfs/dbraw/zinc/56/20/86/613562086.db2.gz TYWWZOWCWMXBHA-UHFFFAOYSA-N 1 2 272.352 0.577 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073650 613586584 /nfs/dbraw/zinc/58/65/84/613586584.db2.gz DHLDPGLAGATOTP-GHMZBOCLSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073650 613586585 /nfs/dbraw/zinc/58/65/85/613586585.db2.gz DHLDPGLAGATOTP-GHMZBOCLSA-N 1 2 259.371 0.904 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)CC)nn1 ZINC000850117618 613599298 /nfs/dbraw/zinc/59/92/98/613599298.db2.gz KBOFGJYOHFAYLG-UHFFFAOYSA-N 1 2 272.374 0.379 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)nn1 ZINC000895319572 613599368 /nfs/dbraw/zinc/59/93/68/613599368.db2.gz DJTPKQZFPREFBX-NSHDSACASA-N 1 2 263.345 0.468 20 30 CCEDLO CC#CCOC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923774979 613645119 /nfs/dbraw/zinc/64/51/19/613645119.db2.gz HEDDFPNSNAERRP-OLZOCXBDSA-N 1 2 267.325 0.433 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000950641706 613655482 /nfs/dbraw/zinc/65/54/82/613655482.db2.gz GIMSRLITIUEAOT-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO CC(=[NH+]OCC(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799111074 613657842 /nfs/dbraw/zinc/65/78/42/613657842.db2.gz BAJQJNFBJMOJMZ-UHFFFAOYSA-N 1 2 252.230 0.403 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000957461648 613708983 /nfs/dbraw/zinc/70/89/83/613708983.db2.gz BCOJGHUXXRWLOC-CYBMUJFWSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC000950441535 613710598 /nfs/dbraw/zinc/71/05/98/613710598.db2.gz DTRONSOEICGSBW-LBPRGKRZSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000957791924 613710744 /nfs/dbraw/zinc/71/07/44/613710744.db2.gz XCMMMJNUWKHMKY-GFCCVEGCSA-N 1 2 265.357 0.185 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000950347307 613711083 /nfs/dbraw/zinc/71/10/83/613711083.db2.gz NAIJFDLQLKYAQS-CHWSQXEVSA-N 1 2 252.358 0.989 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000949788993 613711953 /nfs/dbraw/zinc/71/19/53/613711953.db2.gz SFULWSXTARZZHM-AWEZNQCLSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203789 613725030 /nfs/dbraw/zinc/72/50/30/613725030.db2.gz KIXCNHBRSRYBNH-GFCCVEGCSA-N 1 2 260.284 0.741 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000972203789 613725034 /nfs/dbraw/zinc/72/50/34/613725034.db2.gz KIXCNHBRSRYBNH-GFCCVEGCSA-N 1 2 260.284 0.741 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972299043 613726668 /nfs/dbraw/zinc/72/66/68/613726668.db2.gz XJVSWRSNGFNHJC-TZMCWYRMSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972299043 613726671 /nfs/dbraw/zinc/72/66/71/613726671.db2.gz XJVSWRSNGFNHJC-TZMCWYRMSA-N 1 2 263.341 0.635 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(N)cn2)C1=O ZINC000873207392 613738463 /nfs/dbraw/zinc/73/84/63/613738463.db2.gz AWUZBWRLWMEMKY-LLVKDONJSA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(N)cn2)C1=O ZINC000873207392 613738465 /nfs/dbraw/zinc/73/84/65/613738465.db2.gz AWUZBWRLWMEMKY-LLVKDONJSA-N 1 2 261.329 0.278 20 30 CCEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1=O ZINC000798396011 613802508 /nfs/dbraw/zinc/80/25/08/613802508.db2.gz QEXFRBPFUDPWAH-ONGXEEELSA-N 1 2 276.344 0.446 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1(C)CC1 ZINC000884334959 613878209 /nfs/dbraw/zinc/87/82/09/613878209.db2.gz GOAAJNIZYZRDCQ-JTQLQIEISA-N 1 2 254.330 0.739 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC=C)CC=C ZINC000884045196 613877513 /nfs/dbraw/zinc/87/75/13/613877513.db2.gz LJSPXZIULPLTCW-NSHDSACASA-N 1 2 252.314 0.634 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000884471559 613877971 /nfs/dbraw/zinc/87/79/71/613877971.db2.gz ABUOXKYSVWUPCE-MNOVXSKESA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)O[C@@H](CC)C1 ZINC000884104518 613877996 /nfs/dbraw/zinc/87/79/96/613877996.db2.gz OBLXLUSWJBBHSJ-SRVKXCTJSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(CC)CCC1 ZINC000884142526 613878067 /nfs/dbraw/zinc/87/80/67/613878067.db2.gz BXOKVYLJQKLFSA-JTQLQIEISA-N 1 2 254.330 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC(F)(F)F ZINC000884133204 613878241 /nfs/dbraw/zinc/87/82/41/613878241.db2.gz PLFHYGNGQGLLQM-QMMMGPOBSA-N 1 2 282.262 0.892 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CC1(F)F ZINC000884406872 613878453 /nfs/dbraw/zinc/87/84/53/613878453.db2.gz KFZVZBPWEJGLGS-KWQFWETISA-N 1 2 276.283 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000884153580 613878597 /nfs/dbraw/zinc/87/85/97/613878597.db2.gz NIRCEALOQHPYAG-SRVKXCTJSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000884168668 613878748 /nfs/dbraw/zinc/87/87/48/613878748.db2.gz LCTXYPFOSWTPNQ-FIXISWKDSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(C)c1C ZINC000884149071 613878869 /nfs/dbraw/zinc/87/88/69/613878869.db2.gz BEXGIWYNTAJSOL-VIFPVBQESA-N 1 2 266.301 0.114 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn2c1CCCC2 ZINC000884461696 613878892 /nfs/dbraw/zinc/87/88/92/613878892.db2.gz LPFXRPHDBYBNNY-JTQLQIEISA-N 1 2 292.339 0.605 20 30 CCEDLO C=CCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867294428 613880561 /nfs/dbraw/zinc/88/05/61/613880561.db2.gz FOTQYZUTPJPVGY-ARJAWSKDSA-N 1 2 254.330 0.194 20 30 CCEDLO C=CCONC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000838707355 613884186 /nfs/dbraw/zinc/88/41/86/613884186.db2.gz IREUDUWNGOXLBT-WDEREUQCSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCOc1ccccc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913553765 613884762 /nfs/dbraw/zinc/88/47/62/613884762.db2.gz PDBVMPYLKIBQKT-ZDUSSCGKSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccccc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913553765 613884763 /nfs/dbraw/zinc/88/47/63/613884763.db2.gz PDBVMPYLKIBQKT-ZDUSSCGKSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926127699 613885886 /nfs/dbraw/zinc/88/58/86/613885886.db2.gz YYAWGPAISSYQBT-JTQLQIEISA-N 1 2 257.359 0.672 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000828956053 614324899 /nfs/dbraw/zinc/32/48/99/614324899.db2.gz RWCNTBCAEMPOCW-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000975099001 614606053 /nfs/dbraw/zinc/60/60/53/614606053.db2.gz UAMZLZSPPBQEOF-NSHDSACASA-N 1 2 261.329 0.302 20 30 CCEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCO)C1 ZINC000949912721 614706020 /nfs/dbraw/zinc/70/60/20/614706020.db2.gz GJWCKKRWRRXNRI-UHFFFAOYSA-N 1 2 262.313 0.025 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000849734267 615172516 /nfs/dbraw/zinc/17/25/16/615172516.db2.gz DDOKMUJGFQLQFX-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000849734267 615172517 /nfs/dbraw/zinc/17/25/17/615172517.db2.gz DDOKMUJGFQLQFX-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)o2)C1 ZINC000873363492 615173034 /nfs/dbraw/zinc/17/30/34/615173034.db2.gz SBBPBNMYJJRJMT-GFCCVEGCSA-N 1 2 264.281 0.915 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)o2)C1 ZINC000873363492 615173035 /nfs/dbraw/zinc/17/30/35/615173035.db2.gz SBBPBNMYJJRJMT-GFCCVEGCSA-N 1 2 264.281 0.915 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000879430234 615331008 /nfs/dbraw/zinc/33/10/08/615331008.db2.gz GYASSYIUPIPURY-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000879430234 615331009 /nfs/dbraw/zinc/33/10/09/615331009.db2.gz GYASSYIUPIPURY-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO CCO[C@@H]1CC(=NNC2=[NH+]CCN2)[C@H]1n1cccn1 ZINC000841659780 615412285 /nfs/dbraw/zinc/41/22/85/615412285.db2.gz MAQUPFVOUBAREM-GHMZBOCLSA-N 1 2 262.317 0.138 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)nn1 ZINC000895800337 615480355 /nfs/dbraw/zinc/48/03/55/615480355.db2.gz AEWBXQGNXBHHNW-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)ccn1 ZINC000928652058 615718707 /nfs/dbraw/zinc/71/87/07/615718707.db2.gz VBISICINTPGNJO-CYBMUJFWSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C#N ZINC000875477399 615925228 /nfs/dbraw/zinc/92/52/28/615925228.db2.gz YLHBCJMUFWNNOC-RYUDHWBXSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C#N ZINC000875477399 615925232 /nfs/dbraw/zinc/92/52/32/615925232.db2.gz YLHBCJMUFWNNOC-RYUDHWBXSA-N 1 2 268.361 0.556 20 30 CCEDLO CN(C)C(=O)OC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000815191184 615987729 /nfs/dbraw/zinc/98/77/29/615987729.db2.gz PMTNFNKBUSDBHW-UHFFFAOYSA-N 1 2 282.344 0.179 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H](CCO)C(F)(F)F ZINC000905493821 616067934 /nfs/dbraw/zinc/06/79/34/616067934.db2.gz ZDCPZKVHVLHESZ-NXEZZACHSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H](CCO)C(F)(F)F ZINC000905493821 616067935 /nfs/dbraw/zinc/06/79/35/616067935.db2.gz ZDCPZKVHVLHESZ-NXEZZACHSA-N 1 2 283.294 0.096 20 30 CCEDLO Cn1[nH]c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)nc1=O ZINC000844368134 616101782 /nfs/dbraw/zinc/10/17/82/616101782.db2.gz WSAOGKFOBXHJLT-LBPRGKRZSA-N 1 2 287.323 0.145 20 30 CCEDLO Cn1[nH]c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nc1=O ZINC000844368134 616101783 /nfs/dbraw/zinc/10/17/83/616101783.db2.gz WSAOGKFOBXHJLT-LBPRGKRZSA-N 1 2 287.323 0.145 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nc3cc(C#N)ccc3[nH]2)C1 ZINC000871071716 616253634 /nfs/dbraw/zinc/25/36/34/616253634.db2.gz DPGMMCLJKOXILO-GFCCVEGCSA-N 1 2 285.307 0.704 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2nc3cc(C#N)ccc3[nH]2)C1 ZINC000871071716 616253635 /nfs/dbraw/zinc/25/36/35/616253635.db2.gz DPGMMCLJKOXILO-GFCCVEGCSA-N 1 2 285.307 0.704 20 30 CCEDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853525495 616277750 /nfs/dbraw/zinc/27/77/50/616277750.db2.gz WYRJNXNEDVKSNT-NWDGAFQWSA-N 1 2 279.340 0.591 20 30 CCEDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853525495 616277754 /nfs/dbraw/zinc/27/77/54/616277754.db2.gz WYRJNXNEDVKSNT-NWDGAFQWSA-N 1 2 279.340 0.591 20 30 CCEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1CC#N ZINC000921413465 616303946 /nfs/dbraw/zinc/30/39/46/616303946.db2.gz MMVIFKDKKQILBR-GFCCVEGCSA-N 1 2 279.365 0.735 20 30 CCEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1CC#N ZINC000921413465 616303951 /nfs/dbraw/zinc/30/39/51/616303951.db2.gz MMVIFKDKKQILBR-GFCCVEGCSA-N 1 2 279.365 0.735 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886166921 616479283 /nfs/dbraw/zinc/47/92/83/616479283.db2.gz VPUPUBDHKXQFSW-SRVKXCTJSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886166921 616479285 /nfs/dbraw/zinc/47/92/85/616479285.db2.gz VPUPUBDHKXQFSW-SRVKXCTJSA-N 1 2 282.340 0.039 20 30 CCEDLO COCCOC1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905948433 616525849 /nfs/dbraw/zinc/52/58/49/616525849.db2.gz FIQGNTDPIMBRPW-LBPRGKRZSA-N 1 2 268.357 0.778 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000871342447 616545546 /nfs/dbraw/zinc/54/55/46/616545546.db2.gz NRLSDIOMHYKXCQ-LLVKDONJSA-N 1 2 290.323 0.361 20 30 CCEDLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776293 616601109 /nfs/dbraw/zinc/60/11/09/616601109.db2.gz AHCYPVGFUSBNGO-SECBINFHSA-N 1 2 295.364 0.729 20 30 CCEDLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776293 616601111 /nfs/dbraw/zinc/60/11/11/616601111.db2.gz AHCYPVGFUSBNGO-SECBINFHSA-N 1 2 295.364 0.729 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC000807282868 616613775 /nfs/dbraw/zinc/61/37/75/616613775.db2.gz CFEAWHDSOSVDQA-LBPRGKRZSA-N 1 2 299.290 0.121 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000880559512 616784121 /nfs/dbraw/zinc/78/41/21/616784121.db2.gz OIEZPIONBWDJKE-PWSUYJOCSA-N 1 2 251.286 0.040 20 30 CCEDLO COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000880559512 616784124 /nfs/dbraw/zinc/78/41/24/616784124.db2.gz OIEZPIONBWDJKE-PWSUYJOCSA-N 1 2 251.286 0.040 20 30 CCEDLO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895162680 616905920 /nfs/dbraw/zinc/90/59/20/616905920.db2.gz NBWVPXHNUNSOTI-SECBINFHSA-N 1 2 268.269 0.536 20 30 CCEDLO COC[C@@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000802310491 616925192 /nfs/dbraw/zinc/92/51/92/616925192.db2.gz WDTHKOFJTKPZJL-WOPDTQHZSA-N 1 2 299.371 0.342 20 30 CCEDLO COCC[N@H+](C)Cc1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900627985 616969034 /nfs/dbraw/zinc/96/90/34/616969034.db2.gz AHQQTENYKOPCNR-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COCC[N@@H+](C)Cc1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900627985 616969041 /nfs/dbraw/zinc/96/90/41/616969041.db2.gz AHQQTENYKOPCNR-UHFFFAOYSA-N 1 2 286.339 0.671 20 30 CCEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC#CCO)c1C ZINC000923784672 617145497 /nfs/dbraw/zinc/14/54/97/617145497.db2.gz YFVMYSYDZGLIJK-UHFFFAOYSA-N 1 2 291.351 0.844 20 30 CCEDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ccc1C#N ZINC000912736284 617155739 /nfs/dbraw/zinc/15/57/39/617155739.db2.gz RIXQMALQTVQSPQ-CYBMUJFWSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ccc1C#N ZINC000912736284 617155741 /nfs/dbraw/zinc/15/57/41/617155741.db2.gz RIXQMALQTVQSPQ-CYBMUJFWSA-N 1 2 289.335 0.315 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000934510795 622729498 /nfs/dbraw/zinc/72/94/98/622729498.db2.gz LDYDVNJBMKUKIL-STQMWFEESA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000934510795 622729502 /nfs/dbraw/zinc/72/95/02/622729502.db2.gz LDYDVNJBMKUKIL-STQMWFEESA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319917 622759208 /nfs/dbraw/zinc/75/92/08/622759208.db2.gz MYOHDUIDFYXVDP-BBRMVZONSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319917 622759212 /nfs/dbraw/zinc/75/92/12/622759212.db2.gz MYOHDUIDFYXVDP-BBRMVZONSA-N 1 2 276.380 0.969 20 30 CCEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024632570 623404809 /nfs/dbraw/zinc/40/48/09/623404809.db2.gz YVQPHHWOFSUBOO-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024632570 623404811 /nfs/dbraw/zinc/40/48/11/623404811.db2.gz YVQPHHWOFSUBOO-LLVKDONJSA-N 1 2 278.356 0.896 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969124443 624465594 /nfs/dbraw/zinc/46/55/94/624465594.db2.gz HVXSXXXJBUCSDT-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969138456 624466254 /nfs/dbraw/zinc/46/62/54/624466254.db2.gz VVXRXWYPKGLLPX-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(CC#N)C1 ZINC000969875555 624550566 /nfs/dbraw/zinc/55/05/66/624550566.db2.gz CSIUFVQILGRORC-YUSALJHKSA-N 1 2 273.340 0.473 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(CC#N)C1 ZINC000969875555 624550569 /nfs/dbraw/zinc/55/05/69/624550569.db2.gz CSIUFVQILGRORC-YUSALJHKSA-N 1 2 273.340 0.473 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969910522 624555105 /nfs/dbraw/zinc/55/51/05/624555105.db2.gz GOKHXYLBKHJAOB-GHMZBOCLSA-N 1 2 273.340 0.544 20 30 CCEDLO CON=Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000255144833 624727078 /nfs/dbraw/zinc/72/70/78/624727078.db2.gz VUNGRENGFGHKSE-UHFFFAOYSA-N 1 2 291.351 0.417 20 30 CCEDLO C[C@@]1(C#N)CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000891427193 624862162 /nfs/dbraw/zinc/86/21/62/624862162.db2.gz RZIDGBWKYZPDMW-CYBMUJFWSA-N 1 2 277.328 0.597 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978356103 630803263 /nfs/dbraw/zinc/80/32/63/630803263.db2.gz CMPFILBKXMEXMK-SYQHCUMBSA-N 1 2 299.378 0.263 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967943928 650005340 /nfs/dbraw/zinc/00/53/40/650005340.db2.gz MSQWTVFTXXETEC-DTWKUNHWSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@H](CC(=O)N1CCCN(CC#N)CC1)n1cc[nH+]c1 ZINC000982049138 631372624 /nfs/dbraw/zinc/37/26/24/631372624.db2.gz JEUCSHFNGDAGSI-CYBMUJFWSA-N 1 2 275.356 0.892 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007531292 650081941 /nfs/dbraw/zinc/08/19/41/650081941.db2.gz YZDNQUQLVGSOSY-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007531292 650081944 /nfs/dbraw/zinc/08/19/44/650081944.db2.gz YZDNQUQLVGSOSY-QJPTWQEYSA-N 1 2 273.340 0.617 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)o1 ZINC000986273937 632738157 /nfs/dbraw/zinc/73/81/57/632738157.db2.gz CVNGFAZBECMTCF-GWCFXTLKSA-N 1 2 288.351 0.870 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nn(CC)nc2C)CC1 ZINC000989802030 633354352 /nfs/dbraw/zinc/35/43/52/633354352.db2.gz AQGDXSFSGDVSFE-UHFFFAOYSA-N 1 2 275.356 0.388 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nn(CC)nc2C)CC1 ZINC000989802030 633354353 /nfs/dbraw/zinc/35/43/53/633354353.db2.gz AQGDXSFSGDVSFE-UHFFFAOYSA-N 1 2 275.356 0.388 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(CC#N)c1 ZINC000898882731 633686819 /nfs/dbraw/zinc/68/68/19/633686819.db2.gz BKBOFLYMQYJOPX-CYBMUJFWSA-N 1 2 284.319 0.950 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(CC#N)c1 ZINC000898882732 633687054 /nfs/dbraw/zinc/68/70/54/633687054.db2.gz BKBOFLYMQYJOPX-ZDUSSCGKSA-N 1 2 284.319 0.950 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901322348 634231980 /nfs/dbraw/zinc/23/19/80/634231980.db2.gz GQGCJOWQBKDOAF-KADHNRKRSA-N 1 2 282.384 0.566 20 30 CCEDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(C#CCO)c1 ZINC000908759942 635449965 /nfs/dbraw/zinc/44/99/65/635449965.db2.gz JHJXOUHHOJDUTL-CQSZACIVSA-N 1 2 281.315 0.582 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010780131 650263474 /nfs/dbraw/zinc/26/34/74/650263474.db2.gz KQDMQEJMIWVVEV-SECBINFHSA-N 1 2 285.731 0.535 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010780131 650263475 /nfs/dbraw/zinc/26/34/75/650263475.db2.gz KQDMQEJMIWVVEV-SECBINFHSA-N 1 2 285.731 0.535 20 30 CCEDLO CC(C)(C#N)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452917 636810001 /nfs/dbraw/zinc/81/00/01/636810001.db2.gz MOYADTYUWDGNIV-NSHDSACASA-N 1 2 261.329 0.822 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453358 636810699 /nfs/dbraw/zinc/81/06/99/636810699.db2.gz LJPJYSAPSLNIES-LBPRGKRZSA-N 1 2 284.323 0.407 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001011844188 636887044 /nfs/dbraw/zinc/88/70/44/636887044.db2.gz OEXMFFFVIUWHJG-SNVBAGLBSA-N 1 2 289.339 0.091 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000228655960 637068725 /nfs/dbraw/zinc/06/87/25/637068725.db2.gz RTHDVBDPEYHQMI-ZIAGYGMSSA-N 1 2 262.309 0.285 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000228655960 637068728 /nfs/dbraw/zinc/06/87/28/637068728.db2.gz RTHDVBDPEYHQMI-ZIAGYGMSSA-N 1 2 262.309 0.285 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@@H]1N(CC#N)CC2 ZINC000992436524 637408017 /nfs/dbraw/zinc/40/80/17/637408017.db2.gz WMMKKQNBEQTHLI-ZFWWWQNUSA-N 1 2 287.367 0.599 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1CC#N ZINC000994213993 637877617 /nfs/dbraw/zinc/87/76/17/637877617.db2.gz UZMQFILYKQEVSU-DGCLKSJQSA-N 1 2 275.356 0.455 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(CC#N)[C@@H]1C ZINC000994295543 637917201 /nfs/dbraw/zinc/91/72/01/637917201.db2.gz BTJAAWFIERMJDP-NEPJUHHUSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996399223 638817499 /nfs/dbraw/zinc/81/74/99/638817499.db2.gz QXDFJJBUKOWMHW-AAEUAGOBSA-N 1 2 289.383 0.938 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996399223 638817500 /nfs/dbraw/zinc/81/75/00/638817500.db2.gz QXDFJJBUKOWMHW-AAEUAGOBSA-N 1 2 289.383 0.938 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996735108 638830765 /nfs/dbraw/zinc/83/07/65/638830765.db2.gz YWXOITNDRJNETF-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832161 650493856 /nfs/dbraw/zinc/49/38/56/650493856.db2.gz MMWYASRNINPXMI-JTQLQIEISA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832161 650493857 /nfs/dbraw/zinc/49/38/57/650493857.db2.gz MMWYASRNINPXMI-JTQLQIEISA-N 1 2 282.731 0.739 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001003269396 639524248 /nfs/dbraw/zinc/52/42/48/639524248.db2.gz VEJBVPZYIUVXKT-LBPRGKRZSA-N 1 2 298.408 0.025 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N(C)CC(C)(C)C#N)CCO1 ZINC000838112840 640232770 /nfs/dbraw/zinc/23/27/70/640232770.db2.gz LGZHPVPESRSPDX-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CC(C)(C)C#N)CCO1 ZINC000838112840 640232778 /nfs/dbraw/zinc/23/27/78/640232778.db2.gz LGZHPVPESRSPDX-LBPRGKRZSA-N 1 2 282.388 0.898 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015664738 650604644 /nfs/dbraw/zinc/60/46/44/650604644.db2.gz CBHCZFNWQOSPBO-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015664738 650604646 /nfs/dbraw/zinc/60/46/46/650604646.db2.gz CBHCZFNWQOSPBO-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804334158 640764435 /nfs/dbraw/zinc/76/44/35/640764435.db2.gz ZHHAKDULFLYSHG-DZGCQCFKSA-N 1 2 296.330 0.919 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015685890 650609290 /nfs/dbraw/zinc/60/92/90/650609290.db2.gz QJYKKKJRXRGUAL-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001015685890 650609292 /nfs/dbraw/zinc/60/92/92/650609292.db2.gz QJYKKKJRXRGUAL-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000809572432 640899711 /nfs/dbraw/zinc/89/97/11/640899711.db2.gz MWOBFXCKANZHCI-CYBMUJFWSA-N 1 2 271.324 0.350 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016214245 650698370 /nfs/dbraw/zinc/69/83/70/650698370.db2.gz UUWWRZGQRZEFIL-JTQLQIEISA-N 1 2 299.758 0.078 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016214245 650698372 /nfs/dbraw/zinc/69/83/72/650698372.db2.gz UUWWRZGQRZEFIL-JTQLQIEISA-N 1 2 299.758 0.078 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001016301143 650713551 /nfs/dbraw/zinc/71/35/51/650713551.db2.gz SRWSAUNFJPYZOA-NEPJUHHUSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001016301143 650713552 /nfs/dbraw/zinc/71/35/52/650713552.db2.gz SRWSAUNFJPYZOA-NEPJUHHUSA-N 1 2 286.397 0.330 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000834516166 642598662 /nfs/dbraw/zinc/59/86/62/642598662.db2.gz FUAATMWWUALAPD-LDYMZIIASA-N 1 2 259.313 0.130 20 30 CCEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121425033 642670230 /nfs/dbraw/zinc/67/02/30/642670230.db2.gz RYEPRONONHAVSR-GHMZBOCLSA-N 1 2 271.361 0.695 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001017497998 650806535 /nfs/dbraw/zinc/80/65/35/650806535.db2.gz QMUFTXWBAJFAQE-OKILXGFUSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001017497998 650806537 /nfs/dbraw/zinc/80/65/37/650806537.db2.gz QMUFTXWBAJFAQE-OKILXGFUSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(C)n1 ZINC001017547328 650810275 /nfs/dbraw/zinc/81/02/75/650810275.db2.gz AURHWIHJUWZEBG-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(C)n1 ZINC001017547328 650810276 /nfs/dbraw/zinc/81/02/76/650810276.db2.gz AURHWIHJUWZEBG-GASCZTMLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)n[nH]1 ZINC001017650913 650816322 /nfs/dbraw/zinc/81/63/22/650816322.db2.gz ZCWIOZJVNXXSHW-TXEJJXNPSA-N 1 2 288.351 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)n[nH]1 ZINC001017650913 650816323 /nfs/dbraw/zinc/81/63/23/650816323.db2.gz ZCWIOZJVNXXSHW-TXEJJXNPSA-N 1 2 288.351 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001017674947 650817324 /nfs/dbraw/zinc/81/73/24/650817324.db2.gz HDNGOHGNNOLOSV-RQJABVFESA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001017674947 650817326 /nfs/dbraw/zinc/81/73/26/650817326.db2.gz HDNGOHGNNOLOSV-RQJABVFESA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@H]1C ZINC001017908424 650834294 /nfs/dbraw/zinc/83/42/94/650834294.db2.gz DHVJIDOJZXEEMO-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@H]1C ZINC001017908424 650834296 /nfs/dbraw/zinc/83/42/96/650834296.db2.gz DHVJIDOJZXEEMO-APIJFGDWSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)n1 ZINC001017955432 650836628 /nfs/dbraw/zinc/83/66/28/650836628.db2.gz OWQOOZWKWMGBLD-OKILXGFUSA-N 1 2 287.367 0.056 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)n1 ZINC001017955432 650836633 /nfs/dbraw/zinc/83/66/33/650836633.db2.gz OWQOOZWKWMGBLD-OKILXGFUSA-N 1 2 287.367 0.056 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2c(nn1C)CCC2 ZINC001018169499 650846677 /nfs/dbraw/zinc/84/66/77/650846677.db2.gz UAMCJZQCEXFFIK-BETUJISGSA-N 1 2 298.390 0.831 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2c(nn1C)CCC2 ZINC001018169499 650846680 /nfs/dbraw/zinc/84/66/80/650846680.db2.gz UAMCJZQCEXFFIK-BETUJISGSA-N 1 2 298.390 0.831 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccn12 ZINC000848131144 643599704 /nfs/dbraw/zinc/59/97/04/643599704.db2.gz ZGWVHXNVQHQIDB-NSHDSACASA-N 1 2 288.307 0.753 20 30 CCEDLO COc1ncncc1C=NNCCCn1cc[nH+]c1 ZINC000848416357 643633883 /nfs/dbraw/zinc/63/38/83/643633883.db2.gz ILCAHWHJYLPVJX-UHFFFAOYSA-N 1 2 260.301 0.696 20 30 CCEDLO O=C1C=C(NNCCCn2cc[nH+]c2)[C@H]2CCCN12 ZINC000848417018 643634283 /nfs/dbraw/zinc/63/42/83/643634283.db2.gz HZHZWAZNWBQEFS-GFCCVEGCSA-N 1 2 261.329 0.614 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](CCOC(F)F)CC2)c1C#N ZINC000851975277 643906955 /nfs/dbraw/zinc/90/69/55/643906955.db2.gz GANFZELIKCXTGU-UHFFFAOYSA-N 1 2 299.325 0.961 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018632605 650887313 /nfs/dbraw/zinc/88/73/13/650887313.db2.gz PBSREPRNNCCQAA-BDAKNGLRSA-N 1 2 265.342 0.388 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(=O)c1C#N ZINC000853526474 644117537 /nfs/dbraw/zinc/11/75/37/644117537.db2.gz ZALKTWXNRBXQDY-CYBMUJFWSA-N 1 2 298.350 0.600 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(=O)c1C#N ZINC000853526474 644117545 /nfs/dbraw/zinc/11/75/45/644117545.db2.gz ZALKTWXNRBXQDY-CYBMUJFWSA-N 1 2 298.350 0.600 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1=O ZINC000853558138 644120926 /nfs/dbraw/zinc/12/09/26/644120926.db2.gz OGAZLCWCBPDZSW-QWHCGFSZSA-N 1 2 286.335 0.278 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1=O ZINC000853558138 644120931 /nfs/dbraw/zinc/12/09/31/644120931.db2.gz OGAZLCWCBPDZSW-QWHCGFSZSA-N 1 2 286.335 0.278 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](NCC#N)C1)C2 ZINC001019062350 650934468 /nfs/dbraw/zinc/93/44/68/650934468.db2.gz QDOPGXYTIUGRLS-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](NCC#N)C1)CC2 ZINC001019062350 650934475 /nfs/dbraw/zinc/93/44/75/650934475.db2.gz QDOPGXYTIUGRLS-NEPJUHHUSA-N 1 2 287.367 0.537 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001019061238 650934865 /nfs/dbraw/zinc/93/48/65/650934865.db2.gz VVXRXWYPKGLLPX-NEPJUHHUSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C#N)CCCOC1 ZINC000867931063 645683930 /nfs/dbraw/zinc/68/39/30/645683930.db2.gz JVTAVSMOQUBESN-UKRRQHHQSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870060335 645955688 /nfs/dbraw/zinc/95/56/88/645955688.db2.gz ABIZYCMKIBUOQI-UKRRQHHQSA-N 1 2 295.383 0.486 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C1CC1 ZINC000874460821 646467494 /nfs/dbraw/zinc/46/74/94/646467494.db2.gz MIJMMINRNCONGT-JHJVBQTASA-N 1 2 285.351 0.712 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C1CC1 ZINC000874460821 646467497 /nfs/dbraw/zinc/46/74/97/646467497.db2.gz MIJMMINRNCONGT-JHJVBQTASA-N 1 2 285.351 0.712 20 30 CCEDLO Cn1ncc2cc(C[NH+]3CCN(CC#N)CC3)cnc21 ZINC000876677195 646642107 /nfs/dbraw/zinc/64/21/07/646642107.db2.gz JCLMVIRAJXRKOV-UHFFFAOYSA-N 1 2 270.340 0.609 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611871 647083577 /nfs/dbraw/zinc/08/35/77/647083577.db2.gz YVBZXUODHBGOFV-GDLCADMTSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611871 647083578 /nfs/dbraw/zinc/08/35/78/647083578.db2.gz YVBZXUODHBGOFV-GDLCADMTSA-N 1 2 289.335 0.313 20 30 CCEDLO C[S@@](=N)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000879943707 647131955 /nfs/dbraw/zinc/13/19/55/647131955.db2.gz IYVYXOZJAMMLMH-KRWDZBQOSA-N 1 2 276.431 0.842 20 30 CCEDLO C#CCOCC[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880342191 647185451 /nfs/dbraw/zinc/18/54/51/647185451.db2.gz NMJUYAPCTYAWHZ-GFCCVEGCSA-N 1 2 255.314 0.194 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCC(OC)OC)nn1 ZINC000881196414 647287881 /nfs/dbraw/zinc/28/78/81/647287881.db2.gz NMKREAWIHHJBHP-UHFFFAOYSA-N 1 2 252.318 0.400 20 30 CCEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCO)CC2)nc1 ZINC000889227863 648195846 /nfs/dbraw/zinc/19/58/46/648195846.db2.gz AOVMVNXJQUMGQY-UHFFFAOYSA-N 1 2 275.312 0.095 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930542189 648873496 /nfs/dbraw/zinc/87/34/96/648873496.db2.gz TUJUOANETUCCKC-CHWSQXEVSA-N 1 2 254.330 0.290 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930542189 648873498 /nfs/dbraw/zinc/87/34/98/648873498.db2.gz TUJUOANETUCCKC-CHWSQXEVSA-N 1 2 254.330 0.290 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000930551617 648874349 /nfs/dbraw/zinc/87/43/49/648874349.db2.gz HOMYLRCVYDHVQA-CYBMUJFWSA-N 1 2 271.324 0.350 20 30 CCEDLO N#CC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000930668367 648888966 /nfs/dbraw/zinc/88/89/66/648888966.db2.gz AINSOSBHFCJEOB-CQSZACIVSA-N 1 2 293.367 0.688 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000930668367 648888969 /nfs/dbraw/zinc/88/89/69/648888969.db2.gz AINSOSBHFCJEOB-CQSZACIVSA-N 1 2 293.367 0.688 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000931073497 648943721 /nfs/dbraw/zinc/94/37/21/648943721.db2.gz IZQHUCDVDTTXBC-LLVKDONJSA-N 1 2 259.309 0.418 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000931073497 648943725 /nfs/dbraw/zinc/94/37/25/648943725.db2.gz IZQHUCDVDTTXBC-LLVKDONJSA-N 1 2 259.309 0.418 20 30 CCEDLO C[C@@H]1C[N@H+](CCN2CCO[C@@](C)(C#N)C2)CCO1 ZINC000933607179 649129243 /nfs/dbraw/zinc/12/92/43/649129243.db2.gz NAXVBNNOOQKPKP-OLZOCXBDSA-N 1 2 253.346 0.322 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN2CCO[C@@](C)(C#N)C2)CCO1 ZINC000933607179 649129244 /nfs/dbraw/zinc/12/92/44/649129244.db2.gz NAXVBNNOOQKPKP-OLZOCXBDSA-N 1 2 253.346 0.322 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cncnc2)C1 ZINC001277447682 805585030 /nfs/dbraw/zinc/58/50/30/805585030.db2.gz AVBSHTMQNWVUGF-GOEBONIOSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cncnc2)C1 ZINC001277447682 805585037 /nfs/dbraw/zinc/58/50/37/805585037.db2.gz AVBSHTMQNWVUGF-GOEBONIOSA-N 1 2 297.362 0.813 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3conc3CC)[C@H]2C1 ZINC001083186262 790399113 /nfs/dbraw/zinc/39/91/13/790399113.db2.gz JAJXQTWGRQXZRA-UONOGXRCSA-N 1 2 291.351 0.948 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3conc3CC)[C@H]2C1 ZINC001083186262 790399125 /nfs/dbraw/zinc/39/91/25/790399125.db2.gz JAJXQTWGRQXZRA-UONOGXRCSA-N 1 2 291.351 0.948 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@@H](C(N)=O)C3)c12 ZINC001167074654 790438058 /nfs/dbraw/zinc/43/80/58/790438058.db2.gz AGYMNZKINLMNLI-SNVBAGLBSA-N 1 2 271.280 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccnc3C)[C@H]2C1 ZINC001083192064 790494883 /nfs/dbraw/zinc/49/48/83/790494883.db2.gz HWQVDDXZJAONOK-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccnc3C)[C@H]2C1 ZINC001083192064 790494889 /nfs/dbraw/zinc/49/48/89/790494889.db2.gz HWQVDDXZJAONOK-JKSUJKDBSA-N 1 2 299.374 0.477 20 30 CCEDLO CC(C)=C(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266336889 790536532 /nfs/dbraw/zinc/53/65/32/790536532.db2.gz XZQMQSOBHDHONW-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO CC(C)=C(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266336889 790536542 /nfs/dbraw/zinc/53/65/42/790536542.db2.gz XZQMQSOBHDHONW-ZDUSSCGKSA-N 1 2 292.383 0.563 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNCC#N ZINC001104272925 790839072 /nfs/dbraw/zinc/83/90/72/790839072.db2.gz IAOYIVOWAQVMKT-CHWSQXEVSA-N 1 2 289.383 0.940 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041755614 790962070 /nfs/dbraw/zinc/96/20/70/790962070.db2.gz SEBWSYZDFFUCSC-CQSZACIVSA-N 1 2 273.340 0.400 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231247853 805761848 /nfs/dbraw/zinc/76/18/48/805761848.db2.gz RYSLENYMCWFRTN-AAEUAGOBSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231247853 805761852 /nfs/dbraw/zinc/76/18/52/805761852.db2.gz RYSLENYMCWFRTN-AAEUAGOBSA-N 1 2 275.356 0.612 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231349238 805778960 /nfs/dbraw/zinc/77/89/60/805778960.db2.gz HCEMYNDPNCSGOF-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231349238 805778966 /nfs/dbraw/zinc/77/89/66/805778966.db2.gz HCEMYNDPNCSGOF-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCn2ccccc2=O)C1 ZINC001277603454 805891746 /nfs/dbraw/zinc/89/17/46/805891746.db2.gz WSORIIVDVKJXJO-UHFFFAOYSA-N 1 2 275.352 0.567 20 30 CCEDLO C[C@@]1(CO)C[N@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673114 805968209 /nfs/dbraw/zinc/96/82/09/805968209.db2.gz AHRNCNKYGNTMKM-CABCVRRESA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673114 805968213 /nfs/dbraw/zinc/96/82/13/805968213.db2.gz AHRNCNKYGNTMKM-CABCVRRESA-N 1 2 276.336 0.829 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001267210987 791680023 /nfs/dbraw/zinc/68/00/23/791680023.db2.gz OJGUAEFFCLKVGM-GFCCVEGCSA-N 1 2 279.384 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001267210987 791680030 /nfs/dbraw/zinc/68/00/30/791680030.db2.gz OJGUAEFFCLKVGM-GFCCVEGCSA-N 1 2 279.384 0.220 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724647926 791689962 /nfs/dbraw/zinc/68/99/62/791689962.db2.gz VNUOEDRGBNIUPE-RWMBFGLXSA-N 1 2 254.330 0.652 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724647926 791689967 /nfs/dbraw/zinc/68/99/67/791689967.db2.gz VNUOEDRGBNIUPE-RWMBFGLXSA-N 1 2 254.330 0.652 20 30 CCEDLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267225264 791701300 /nfs/dbraw/zinc/70/13/00/791701300.db2.gz SIXGIGGYSMDTFW-DOMZBBRYSA-N 1 2 294.399 0.356 20 30 CCEDLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267225264 791701307 /nfs/dbraw/zinc/70/13/07/791701307.db2.gz SIXGIGGYSMDTFW-DOMZBBRYSA-N 1 2 294.399 0.356 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233948524 806156303 /nfs/dbraw/zinc/15/63/03/806156303.db2.gz XBPVETZSRCLTOX-ZDUSSCGKSA-N 1 2 279.384 0.411 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233948524 806156308 /nfs/dbraw/zinc/15/63/08/806156308.db2.gz XBPVETZSRCLTOX-ZDUSSCGKSA-N 1 2 279.384 0.411 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235684030 806490247 /nfs/dbraw/zinc/49/02/47/806490247.db2.gz ILWFIHHQPMBRDM-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235684030 806490251 /nfs/dbraw/zinc/49/02/51/806490251.db2.gz ILWFIHHQPMBRDM-LBPRGKRZSA-N 1 2 293.392 0.939 20 30 CCEDLO C=C1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC001120896985 798956828 /nfs/dbraw/zinc/95/68/28/798956828.db2.gz WMTIEXQNOXHLLQ-UHFFFAOYSA-N 1 2 287.367 0.911 20 30 CCEDLO C=C1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC001120896985 798956832 /nfs/dbraw/zinc/95/68/32/798956832.db2.gz WMTIEXQNOXHLLQ-UHFFFAOYSA-N 1 2 287.367 0.911 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C=C)n2CC)CC1 ZINC001121795713 799070348 /nfs/dbraw/zinc/07/03/48/799070348.db2.gz VAWVZZWDVLNPTB-GFCCVEGCSA-N 1 2 275.356 0.273 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1 ZINC001278138725 806714109 /nfs/dbraw/zinc/71/41/09/806714109.db2.gz ODQGPLZPZSYMRD-AWEZNQCLSA-N 1 2 293.367 0.743 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1CC1 ZINC001123614867 799442196 /nfs/dbraw/zinc/44/21/96/799442196.db2.gz RENXSINXKSFKHC-UHFFFAOYSA-N 1 2 293.367 0.242 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CC1 ZINC001123614867 799442200 /nfs/dbraw/zinc/44/22/00/799442200.db2.gz RENXSINXKSFKHC-UHFFFAOYSA-N 1 2 293.367 0.242 20 30 CCEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123799503 799477351 /nfs/dbraw/zinc/47/73/51/799477351.db2.gz URZPBPJMSCOKLC-VIFPVBQESA-N 1 2 297.384 0.656 20 30 CCEDLO C[C@H](CC#N)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001123970061 799520601 /nfs/dbraw/zinc/52/06/01/799520601.db2.gz GEIDRVSOELKHAI-SECBINFHSA-N 1 2 250.302 0.902 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(C#N)c1 ZINC001137699312 799683188 /nfs/dbraw/zinc/68/31/88/799683188.db2.gz DDYWMKGJZASPQO-HIFRSBDPSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(C#N)c1 ZINC001137699312 799683189 /nfs/dbraw/zinc/68/31/89/799683189.db2.gz DDYWMKGJZASPQO-HIFRSBDPSA-N 1 2 276.336 0.742 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(OCCO)cc2)CC1 ZINC001138797027 799755473 /nfs/dbraw/zinc/75/54/73/799755473.db2.gz XENZSCVBGLVSFQ-UHFFFAOYSA-N 1 2 274.364 0.809 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC001139458509 799817460 /nfs/dbraw/zinc/81/74/60/799817460.db2.gz APRPVPDUIRPCBX-UHFFFAOYSA-N 1 2 258.369 0.898 20 30 CCEDLO C#CCN1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC001139458509 799817465 /nfs/dbraw/zinc/81/74/65/799817465.db2.gz APRPVPDUIRPCBX-UHFFFAOYSA-N 1 2 258.369 0.898 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001139686939 799829266 /nfs/dbraw/zinc/82/92/66/799829266.db2.gz IDTBBCKLLKGOAF-ZWNOBZJWSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001139686939 799829272 /nfs/dbraw/zinc/82/92/72/799829272.db2.gz IDTBBCKLLKGOAF-ZWNOBZJWSA-N 1 2 266.728 0.997 20 30 CCEDLO Cn1cncc1C[NH+]1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001278246858 806789355 /nfs/dbraw/zinc/78/93/55/806789355.db2.gz KYAOJCGEXBIFFT-CYBMUJFWSA-N 1 2 299.378 0.804 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001153085494 800595199 /nfs/dbraw/zinc/59/51/99/800595199.db2.gz CTBQUESYGSXHEI-JTQLQIEISA-N 1 2 284.385 0.898 20 30 CCEDLO C#CCCCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001155018235 800892580 /nfs/dbraw/zinc/89/25/80/800892580.db2.gz XRSZMTPFOWLJTA-LLVKDONJSA-N 1 2 273.340 0.756 20 30 CCEDLO C#CCCCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001155018235 800892591 /nfs/dbraw/zinc/89/25/91/800892591.db2.gz XRSZMTPFOWLJTA-LLVKDONJSA-N 1 2 273.340 0.756 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(F)cc1C#N ZINC001155197765 800930177 /nfs/dbraw/zinc/93/01/77/800930177.db2.gz RXNUPMSNZILCDX-SNVBAGLBSA-N 1 2 280.303 0.843 20 30 CCEDLO COc1nc(NC[C@@H]2C[N@@H+](C)CCO2)c(F)cc1C#N ZINC001155197765 800930181 /nfs/dbraw/zinc/93/01/81/800930181.db2.gz RXNUPMSNZILCDX-SNVBAGLBSA-N 1 2 280.303 0.843 20 30 CCEDLO C=CCOCC(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001155724905 801043775 /nfs/dbraw/zinc/04/37/75/801043775.db2.gz IJEWPYUVSXHQEN-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155841106 801063171 /nfs/dbraw/zinc/06/31/71/801063171.db2.gz CKISGFJWFWCCRU-BDAKNGLRSA-N 1 2 265.317 0.695 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc3c(C#N)c[nH]c3n2)C[NH2+]1 ZINC001156248930 801138693 /nfs/dbraw/zinc/13/86/93/801138693.db2.gz PVCPNXBAHCRNTP-WPRPVWTQSA-N 1 2 286.295 0.145 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2[nH]ccc3ncc(C#N)c2-3)C[NH2+]1 ZINC001156248820 801139324 /nfs/dbraw/zinc/13/93/24/801139324.db2.gz KNEXGOVSUQWQFR-ONGXEEELSA-N 1 2 285.307 0.750 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cncc(Cl)n1 ZINC001156327553 801150849 /nfs/dbraw/zinc/15/08/49/801150849.db2.gz FTKLBQDWEHQWIG-ZETCQYMHSA-N 1 2 273.674 0.977 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cncc(C#N)n1 ZINC001162849259 802427921 /nfs/dbraw/zinc/42/79/21/802427921.db2.gz JBPNGTTXTNXBNL-VIFPVBQESA-N 1 2 263.301 0.429 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(C)C)C1 ZINC001264371449 809645570 /nfs/dbraw/zinc/64/55/70/809645570.db2.gz WBQAPBZBKKDVGP-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001264371449 809645575 /nfs/dbraw/zinc/64/55/75/809645575.db2.gz WBQAPBZBKKDVGP-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)CC)[C@H]1C ZINC001264714909 809675181 /nfs/dbraw/zinc/67/51/81/809675181.db2.gz FIRDNYJISPEYMC-WOPDTQHZSA-N 1 2 285.363 0.616 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CC)[C@H]1C ZINC001264714909 809675184 /nfs/dbraw/zinc/67/51/84/809675184.db2.gz FIRDNYJISPEYMC-WOPDTQHZSA-N 1 2 285.363 0.616 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164346773 802726507 /nfs/dbraw/zinc/72/65/07/802726507.db2.gz XACHVPDAOJUSNB-NSHDSACASA-N 1 2 280.376 0.408 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cccc(N2CCOCC2)n1 ZINC001164651465 802775384 /nfs/dbraw/zinc/77/53/84/802775384.db2.gz IGSAJJLGTAIOSK-GFCCVEGCSA-N 1 2 273.340 0.220 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166401108 802905245 /nfs/dbraw/zinc/90/52/45/802905245.db2.gz CAHLJEKKBSOLSU-SNVBAGLBSA-N 1 2 261.329 0.449 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1C ZINC001272080445 814936029 /nfs/dbraw/zinc/93/60/29/814936029.db2.gz NKPSWYJBHKRKGR-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]nc1C ZINC001272080445 814936034 /nfs/dbraw/zinc/93/60/34/814936034.db2.gz NKPSWYJBHKRKGR-UHFFFAOYSA-N 1 2 293.371 0.024 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COC[C@@H]1CCCO1 ZINC001269355892 813336652 /nfs/dbraw/zinc/33/66/52/813336652.db2.gz KJINCGGXOSIBDD-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COC[C@@H]1CCCO1 ZINC001269355892 813336658 /nfs/dbraw/zinc/33/66/58/813336658.db2.gz KJINCGGXOSIBDD-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205704883 803161321 /nfs/dbraw/zinc/16/13/21/803161321.db2.gz NSIWEKCRIVPOTB-PSASIEDQSA-N 1 2 291.189 0.978 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205704883 803161324 /nfs/dbraw/zinc/16/13/24/803161324.db2.gz NSIWEKCRIVPOTB-PSASIEDQSA-N 1 2 291.189 0.978 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001276547750 803454740 /nfs/dbraw/zinc/45/47/40/803454740.db2.gz HJMVOWOTDMNJJY-AWEZNQCLSA-N 1 2 268.332 0.673 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001276547750 803454746 /nfs/dbraw/zinc/45/47/46/803454746.db2.gz HJMVOWOTDMNJJY-AWEZNQCLSA-N 1 2 268.332 0.673 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC001208242638 803498763 /nfs/dbraw/zinc/49/87/63/803498763.db2.gz NSEWIISEUIRDOG-GHMZBOCLSA-N 1 2 292.339 0.027 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC001208242638 803498766 /nfs/dbraw/zinc/49/87/66/803498766.db2.gz NSEWIISEUIRDOG-GHMZBOCLSA-N 1 2 292.339 0.027 20 30 CCEDLO C=CCN(CC[N@@H+]1C[C@@H](O)[C@@H](F)C1)C(=O)OCC ZINC001209017437 803564853 /nfs/dbraw/zinc/56/48/53/803564853.db2.gz OWEUHQIFCXCWDN-WDEREUQCSA-N 1 2 260.309 0.646 20 30 CCEDLO C=CCN(CC[N@H+]1C[C@@H](O)[C@@H](F)C1)C(=O)OCC ZINC001209017437 803564856 /nfs/dbraw/zinc/56/48/56/803564856.db2.gz OWEUHQIFCXCWDN-WDEREUQCSA-N 1 2 260.309 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001083440344 814950096 /nfs/dbraw/zinc/95/00/96/814950096.db2.gz NDAKQVSIQIQNET-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001083440344 814950098 /nfs/dbraw/zinc/95/00/98/814950098.db2.gz NDAKQVSIQIQNET-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@H](OC)C1 ZINC001213300498 803690037 /nfs/dbraw/zinc/69/00/37/803690037.db2.gz VIFKDFCIFXUAQH-UTUOFQBUSA-N 1 2 256.321 0.429 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@H](OC)C1 ZINC001213300498 803690042 /nfs/dbraw/zinc/69/00/42/803690042.db2.gz VIFKDFCIFXUAQH-UTUOFQBUSA-N 1 2 256.321 0.429 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001214331782 803735238 /nfs/dbraw/zinc/73/52/38/803735238.db2.gz ROXCMTPRFAUGJJ-ZYHUDNBSSA-N 1 2 294.355 0.517 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCOCC)[C@H]2C1 ZINC001217370147 803887666 /nfs/dbraw/zinc/88/76/66/803887666.db2.gz MIANETUKAJSRMF-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCOCC)[C@H]2C1 ZINC001217370147 803887676 /nfs/dbraw/zinc/88/76/76/803887676.db2.gz MIANETUKAJSRMF-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#C)C[C@@H]21 ZINC001217669976 803899711 /nfs/dbraw/zinc/89/97/11/803899711.db2.gz QRARGZBJNCMNNY-LSDHHAIUSA-N 1 2 274.364 0.725 20 30 CCEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#C)C[C@@H]21 ZINC001217669976 803899720 /nfs/dbraw/zinc/89/97/20/803899720.db2.gz QRARGZBJNCMNNY-LSDHHAIUSA-N 1 2 274.364 0.725 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212034303 814981410 /nfs/dbraw/zinc/98/14/10/814981410.db2.gz UQGRZBHMSZVAGE-XLMCQVRKSA-N 1 2 288.775 0.757 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212034303 814981418 /nfs/dbraw/zinc/98/14/18/814981418.db2.gz UQGRZBHMSZVAGE-XLMCQVRKSA-N 1 2 288.775 0.757 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219365953 804288485 /nfs/dbraw/zinc/28/84/85/804288485.db2.gz MJMZSLATBKXHPM-GLQYFDAESA-N 1 2 298.346 0.379 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219365953 804288491 /nfs/dbraw/zinc/28/84/91/804288491.db2.gz MJMZSLATBKXHPM-GLQYFDAESA-N 1 2 298.346 0.379 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C#N)cc1C#N ZINC001219394204 804298798 /nfs/dbraw/zinc/29/87/98/804298798.db2.gz YRESYZWAVPKYNM-JTQLQIEISA-N 1 2 272.264 0.259 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219539490 804340247 /nfs/dbraw/zinc/34/02/47/804340247.db2.gz NXMUTFBDRPXGOO-OLZOCXBDSA-N 1 2 293.392 0.608 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219539490 804340254 /nfs/dbraw/zinc/34/02/54/804340254.db2.gz NXMUTFBDRPXGOO-OLZOCXBDSA-N 1 2 293.392 0.608 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219594767 804365317 /nfs/dbraw/zinc/36/53/17/804365317.db2.gz WMJBIULUGNRCCH-HLAQVGQFSA-N 1 2 268.744 0.314 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219594767 804365325 /nfs/dbraw/zinc/36/53/25/804365325.db2.gz WMJBIULUGNRCCH-HLAQVGQFSA-N 1 2 268.744 0.314 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCCCC)[C@@H](O)C1 ZINC001219611881 804374274 /nfs/dbraw/zinc/37/42/74/804374274.db2.gz OFNHKPGNYQVJBQ-KFWWJZLASA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCCCC)[C@@H](O)C1 ZINC001219611881 804374280 /nfs/dbraw/zinc/37/42/80/804374280.db2.gz OFNHKPGNYQVJBQ-KFWWJZLASA-N 1 2 296.411 0.766 20 30 CCEDLO N#Cc1cccc(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1O ZINC001219625891 804380105 /nfs/dbraw/zinc/38/01/05/804380105.db2.gz GXCQNLDNRONNTJ-SMDDNHRTSA-N 1 2 293.298 0.056 20 30 CCEDLO CCCC#CC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001272108855 815014265 /nfs/dbraw/zinc/01/42/65/815014265.db2.gz AZJVMGHRXYKRMK-UHFFFAOYSA-N 1 2 272.352 0.857 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CCCC2)[C@@H](O)C1 ZINC001220083962 804496346 /nfs/dbraw/zinc/49/63/46/804496346.db2.gz VEVOANSPLVDWMJ-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CCCC2)[C@@H](O)C1 ZINC001220083962 804496351 /nfs/dbraw/zinc/49/63/51/804496351.db2.gz VEVOANSPLVDWMJ-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001220691842 804650592 /nfs/dbraw/zinc/65/05/92/804650592.db2.gz CKCRSMGIEWDMNK-ZJUUUORDSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001220691842 804650594 /nfs/dbraw/zinc/65/05/94/804650594.db2.gz CKCRSMGIEWDMNK-ZJUUUORDSA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)[C@@H](O)C1 ZINC001221054921 804725519 /nfs/dbraw/zinc/72/55/19/804725519.db2.gz OYEPOSVFRKMISV-ZNMIVQPWSA-N 1 2 290.338 0.362 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)[C@@H](O)C1 ZINC001221054921 804725525 /nfs/dbraw/zinc/72/55/25/804725525.db2.gz OYEPOSVFRKMISV-ZNMIVQPWSA-N 1 2 290.338 0.362 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221147998 804735724 /nfs/dbraw/zinc/73/57/24/804735724.db2.gz NOKRTOODSVQYIW-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@@H](O)C1 ZINC001221147998 804735729 /nfs/dbraw/zinc/73/57/29/804735729.db2.gz NOKRTOODSVQYIW-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC)[C@@H]2C1 ZINC001221282635 804764976 /nfs/dbraw/zinc/76/49/76/804764976.db2.gz BITJUCURNSHICS-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC)[C@@H]2C1 ZINC001221282635 804764983 /nfs/dbraw/zinc/76/49/83/804764983.db2.gz BITJUCURNSHICS-ZIAGYGMSSA-N 1 2 291.395 0.459 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(=O)NCC)[C@@H]2C1 ZINC001221495947 804822954 /nfs/dbraw/zinc/82/29/54/804822954.db2.gz AQOPKCWZUNYIKR-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(=O)NCC)[C@@H]2C1 ZINC001221495947 804822961 /nfs/dbraw/zinc/82/29/61/804822961.db2.gz AQOPKCWZUNYIKR-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221529465 804828207 /nfs/dbraw/zinc/82/82/07/804828207.db2.gz HOBYAOALLTWYAB-ZIAGYGMSSA-N 1 2 291.395 0.267 20 30 CCEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221529465 804828217 /nfs/dbraw/zinc/82/82/17/804828217.db2.gz HOBYAOALLTWYAB-ZIAGYGMSSA-N 1 2 291.395 0.267 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001276836391 804932874 /nfs/dbraw/zinc/93/28/74/804932874.db2.gz WPZVJKJYWVDJKC-ZFWWWQNUSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001276836391 804932879 /nfs/dbraw/zinc/93/28/79/804932879.db2.gz WPZVJKJYWVDJKC-ZFWWWQNUSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001276970362 805036269 /nfs/dbraw/zinc/03/62/69/805036269.db2.gz PVBCTGDIYHUTGH-GFCCVEGCSA-N 1 2 261.325 0.658 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001276970362 805036280 /nfs/dbraw/zinc/03/62/80/805036280.db2.gz PVBCTGDIYHUTGH-GFCCVEGCSA-N 1 2 261.325 0.658 20 30 CCEDLO Cn1ccc(N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)n1 ZINC001277044591 805130173 /nfs/dbraw/zinc/13/01/73/805130173.db2.gz PSDINEADICKNCA-UHFFFAOYSA-N 1 2 296.378 0.952 20 30 CCEDLO Cn1cnc(N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001277059708 805146169 /nfs/dbraw/zinc/14/61/69/805146169.db2.gz SHFWORONHCMNRX-UHFFFAOYSA-N 1 2 296.378 0.952 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666432 815053382 /nfs/dbraw/zinc/05/33/82/815053382.db2.gz HMRBDWOMAGGBRD-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666432 815053388 /nfs/dbraw/zinc/05/33/88/815053388.db2.gz HMRBDWOMAGGBRD-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1C ZINC001088666432 815053395 /nfs/dbraw/zinc/05/33/95/815053395.db2.gz HMRBDWOMAGGBRD-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1C ZINC001088666432 815053402 /nfs/dbraw/zinc/05/34/02/815053402.db2.gz HMRBDWOMAGGBRD-HZSPNIEDSA-N 1 2 263.385 0.683 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC001226027935 805187575 /nfs/dbraw/zinc/18/75/75/805187575.db2.gz AGUAPMXPTREIKL-UHFFFAOYSA-N 1 2 290.323 0.114 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cccnc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226668433 805263400 /nfs/dbraw/zinc/26/34/00/805263400.db2.gz SYFCYLYBWDPYKY-ZQLNZSQWSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cccnc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226668433 805263409 /nfs/dbraw/zinc/26/34/09/805263409.db2.gz SYFCYLYBWDPYKY-ZQLNZSQWSA-N 1 2 272.308 0.949 20 30 CCEDLO Cn1cc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)nn1 ZINC001227289709 805339803 /nfs/dbraw/zinc/33/98/03/805339803.db2.gz GZBNXAKHVLEIKF-UHFFFAOYSA-N 1 2 287.367 0.309 20 30 CCEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cn[nH]c2)CCC1 ZINC001277359738 805507499 /nfs/dbraw/zinc/50/74/99/805507499.db2.gz ZPMJBKRQTWLUKZ-DOMZBBRYSA-N 1 2 285.351 0.937 20 30 CCEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cn[nH]c2)CCC1 ZINC001277359738 805507506 /nfs/dbraw/zinc/50/75/06/805507506.db2.gz ZPMJBKRQTWLUKZ-DOMZBBRYSA-N 1 2 285.351 0.937 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CC23CC3)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278427625 807135306 /nfs/dbraw/zinc/13/53/06/807135306.db2.gz XHRLRTPKWTXOTN-RISCZKNCSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@]1(NC(=O)[C@H]2CC23CC3)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278427625 807135307 /nfs/dbraw/zinc/13/53/07/807135307.db2.gz XHRLRTPKWTXOTN-RISCZKNCSA-N 1 2 290.367 0.007 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N[C@H](C#N)c2ccccc2)C[NH2+]1 ZINC001246075349 807142340 /nfs/dbraw/zinc/14/23/40/807142340.db2.gz SSRYHWNLLLHUIM-RWMBFGLXSA-N 1 2 259.309 0.744 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](N2CCS2(=O)=O)C1 ZINC001250355426 807595376 /nfs/dbraw/zinc/59/53/76/807595376.db2.gz ZRQOIQVEGAYQQR-CQSZACIVSA-N 1 2 291.376 0.778 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](N2CCS2(=O)=O)C1 ZINC001250355426 807595380 /nfs/dbraw/zinc/59/53/80/807595380.db2.gz ZRQOIQVEGAYQQR-CQSZACIVSA-N 1 2 291.376 0.778 20 30 CCEDLO COc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251028599 807647582 /nfs/dbraw/zinc/64/75/82/807647582.db2.gz JVRYYAAJOXNFJF-GFCCVEGCSA-N 1 2 291.351 0.672 20 30 CCEDLO CC(C)C[C@@H](C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251044488 807654994 /nfs/dbraw/zinc/65/49/94/807654994.db2.gz YGUQXMRHFZYECS-QWHCGFSZSA-N 1 2 255.362 0.207 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251046113 807656664 /nfs/dbraw/zinc/65/66/64/807656664.db2.gz LFNVPDHGWMMXHW-KGLIPLIRSA-N 1 2 269.389 0.597 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001251744612 807700695 /nfs/dbraw/zinc/70/06/95/807700695.db2.gz UWMXONPQMKPSQO-LBPRGKRZSA-N 1 2 262.313 0.006 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001251851498 807720584 /nfs/dbraw/zinc/72/05/84/807720584.db2.gz MATWHTWTLPDXKQ-LBPRGKRZSA-N 1 2 271.357 0.661 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](CC)CC(=O)OC(C)(C)C ZINC001251851498 807720590 /nfs/dbraw/zinc/72/05/90/807720590.db2.gz MATWHTWTLPDXKQ-LBPRGKRZSA-N 1 2 271.357 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001083478247 815147214 /nfs/dbraw/zinc/14/72/14/815147214.db2.gz CIDIELLVAXBJLI-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001083478247 815147215 /nfs/dbraw/zinc/14/72/15/815147215.db2.gz CIDIELLVAXBJLI-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001083481887 815150720 /nfs/dbraw/zinc/15/07/20/815150720.db2.gz AVEIYYLNDIDELQ-OLZOCXBDSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001083481887 815150723 /nfs/dbraw/zinc/15/07/23/815150723.db2.gz AVEIYYLNDIDELQ-OLZOCXBDSA-N 1 2 276.311 0.542 20 30 CCEDLO C=CCOC[C@H](O)CN1CCc2[nH+]c(C)[nH]c2C1 ZINC001252470829 807880660 /nfs/dbraw/zinc/88/06/60/807880660.db2.gz QXYIRPDOMAROQO-LLVKDONJSA-N 1 2 251.330 0.640 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253575708 808081386 /nfs/dbraw/zinc/08/13/86/808081386.db2.gz BLJUYRLRNVTSOF-XQQFMLRXSA-N 1 2 298.383 0.853 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001253575708 808081393 /nfs/dbraw/zinc/08/13/93/808081393.db2.gz BLJUYRLRNVTSOF-XQQFMLRXSA-N 1 2 298.383 0.853 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)C=C ZINC001253575991 808082640 /nfs/dbraw/zinc/08/26/40/808082640.db2.gz HXQYOZDSHJUQBH-TZMCWYRMSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)C=C ZINC001253575991 808082648 /nfs/dbraw/zinc/08/26/48/808082648.db2.gz HXQYOZDSHJUQBH-TZMCWYRMSA-N 1 2 292.383 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(C)=O)C1 ZINC001278733492 808101413 /nfs/dbraw/zinc/10/14/13/808101413.db2.gz HSSGWBQWPAOQDL-LLVKDONJSA-N 1 2 289.326 0.382 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(C)=O)C1 ZINC001278733492 808101416 /nfs/dbraw/zinc/10/14/16/808101416.db2.gz HSSGWBQWPAOQDL-LLVKDONJSA-N 1 2 289.326 0.382 20 30 CCEDLO C#CCC[NH+]1CCN(CCCS(C)(=O)=O)CC1 ZINC001254211115 808195512 /nfs/dbraw/zinc/19/55/12/808195512.db2.gz JXGSVFVCLOWRHM-UHFFFAOYSA-N 1 2 258.387 0.062 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@@H](O)C1 ZINC001083510503 815184245 /nfs/dbraw/zinc/18/42/45/815184245.db2.gz GSISMAWLCQEGJV-AXFHLTTASA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@@H](O)C1 ZINC001083510503 815184248 /nfs/dbraw/zinc/18/42/48/815184248.db2.gz GSISMAWLCQEGJV-AXFHLTTASA-N 1 2 272.295 0.216 20 30 CCEDLO C[C@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@H]1C#N ZINC001255815565 808431148 /nfs/dbraw/zinc/43/11/48/808431148.db2.gz FWNYAQISMSSJOQ-CHWSQXEVSA-N 1 2 293.392 0.646 20 30 CCEDLO CC#CC[N@@H+](CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001279043965 808635535 /nfs/dbraw/zinc/63/55/35/808635535.db2.gz DDWSTAVBYNQMJJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO CC#CC[N@H+](CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001279043965 808635540 /nfs/dbraw/zinc/63/55/40/808635540.db2.gz DDWSTAVBYNQMJJ-SNVBAGLBSA-N 1 2 298.280 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001038502762 815290639 /nfs/dbraw/zinc/29/06/39/815290639.db2.gz OINZKGVWGDMKNP-SECBINFHSA-N 1 2 298.268 0.933 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001038502762 815290644 /nfs/dbraw/zinc/29/06/44/815290644.db2.gz OINZKGVWGDMKNP-SECBINFHSA-N 1 2 298.268 0.933 20 30 CCEDLO CS(=O)(=O)C1CC[NH+](CCOCCC#N)CC1 ZINC000385289896 809626632 /nfs/dbraw/zinc/62/66/32/809626632.db2.gz IGICUVVNGMKWBE-UHFFFAOYSA-N 1 2 260.359 0.426 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001264366325 809643327 /nfs/dbraw/zinc/64/33/27/809643327.db2.gz AZICURGXZOMKCC-KBPBESRZSA-N 1 2 293.411 0.977 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001264366325 809643329 /nfs/dbraw/zinc/64/33/29/809643329.db2.gz AZICURGXZOMKCC-KBPBESRZSA-N 1 2 293.411 0.977 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001264366327 809643450 /nfs/dbraw/zinc/64/34/50/809643450.db2.gz AZICURGXZOMKCC-UONOGXRCSA-N 1 2 293.411 0.977 20 30 CCEDLO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001264366327 809643453 /nfs/dbraw/zinc/64/34/53/809643453.db2.gz AZICURGXZOMKCC-UONOGXRCSA-N 1 2 293.411 0.977 20 30 CCEDLO CCn1ncnc1C[N@H+](CC)CCCNC(=O)[C@H](C)C#N ZINC001265106121 809709780 /nfs/dbraw/zinc/70/97/80/809709780.db2.gz FPACKFKKYWLVHX-GFCCVEGCSA-N 1 2 292.387 0.786 20 30 CCEDLO CCn1ncnc1C[N@@H+](CC)CCCNC(=O)[C@H](C)C#N ZINC001265106121 809709783 /nfs/dbraw/zinc/70/97/83/809709783.db2.gz FPACKFKKYWLVHX-GFCCVEGCSA-N 1 2 292.387 0.786 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCCN(CC#N)C1CC1 ZINC001265180996 809721198 /nfs/dbraw/zinc/72/11/98/809721198.db2.gz JULOWTOVDLFBSY-UHFFFAOYSA-N 1 2 275.356 0.457 20 30 CCEDLO Cc1ccc(CC(=O)NCC[NH+]2CCN(CC#N)CC2)o1 ZINC001265257630 809732982 /nfs/dbraw/zinc/73/29/82/809732982.db2.gz JLFZEZBMSVAUKD-UHFFFAOYSA-N 1 2 290.367 0.388 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCC)C1 ZINC001265270216 809737598 /nfs/dbraw/zinc/73/75/98/809737598.db2.gz BCQJJXCNBOFRQC-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C1 ZINC001265270216 809737602 /nfs/dbraw/zinc/73/76/02/809737602.db2.gz BCQJJXCNBOFRQC-CYBMUJFWSA-N 1 2 279.384 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265297566 809750535 /nfs/dbraw/zinc/75/05/35/809750535.db2.gz TWBKGSYRVWSKST-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265297566 809750537 /nfs/dbraw/zinc/75/05/37/809750537.db2.gz TWBKGSYRVWSKST-ZDUSSCGKSA-N 1 2 291.395 0.529 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)CSCC#N)o1 ZINC001265754342 809839768 /nfs/dbraw/zinc/83/97/68/809839768.db2.gz CFRQDUDHRZCTQC-RKDXNWHRSA-N 1 2 297.384 0.790 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nnc(C2CC2)o1 ZINC001265773239 809849810 /nfs/dbraw/zinc/84/98/10/809849810.db2.gz RGPODFRFBKAGBN-JTQLQIEISA-N 1 2 288.351 0.955 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNCC#N ZINC001279183949 809972605 /nfs/dbraw/zinc/97/26/05/809972605.db2.gz TUJASJYDGVGOHZ-RYUDHWBXSA-N 1 2 275.356 0.170 20 30 CCEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)c1 ZINC001076658888 815334806 /nfs/dbraw/zinc/33/48/06/815334806.db2.gz SFOMSQZDCTYTDB-VXGBXAGGSA-N 1 2 295.289 0.485 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)c1 ZINC001076658888 815334812 /nfs/dbraw/zinc/33/48/12/815334812.db2.gz SFOMSQZDCTYTDB-VXGBXAGGSA-N 1 2 295.289 0.485 20 30 CCEDLO N#Cc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168367424 815377419 /nfs/dbraw/zinc/37/74/19/815377419.db2.gz MRJDWAAEFTZEJC-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168367424 815377425 /nfs/dbraw/zinc/37/74/25/815377425.db2.gz MRJDWAAEFTZEJC-LLVKDONJSA-N 1 2 259.313 0.623 20 30 CCEDLO C[C@@H](CC(=O)NC[C@H]1CCCN1CC#N)n1cc[nH+]c1 ZINC001267278582 811085094 /nfs/dbraw/zinc/08/50/94/811085094.db2.gz MONDDPOCIYXRLS-QWHCGFSZSA-N 1 2 275.356 0.938 20 30 CCEDLO N#Cc1cncc(CN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000721571223 811216164 /nfs/dbraw/zinc/21/61/64/811216164.db2.gz DBXJMARRCNCYCL-HNNXBMFYSA-N 1 2 272.352 0.860 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001077034312 815436094 /nfs/dbraw/zinc/43/60/94/815436094.db2.gz SAAQEEXKYSGKAL-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001077034312 815436098 /nfs/dbraw/zinc/43/60/98/815436098.db2.gz SAAQEEXKYSGKAL-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001058562591 811322478 /nfs/dbraw/zinc/32/24/78/811322478.db2.gz NSEWCWGATWKDHR-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001077131222 815449058 /nfs/dbraw/zinc/44/90/58/815449058.db2.gz ROJWMSBAVAMBLC-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001077131222 815449061 /nfs/dbraw/zinc/44/90/61/815449061.db2.gz ROJWMSBAVAMBLC-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001077167884 815454385 /nfs/dbraw/zinc/45/43/85/815454385.db2.gz JIQYUDJPGMETNP-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001077167884 815454390 /nfs/dbraw/zinc/45/43/90/815454390.db2.gz JIQYUDJPGMETNP-VXGBXAGGSA-N 1 2 291.351 0.515 20 30 CCEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604262 811529372 /nfs/dbraw/zinc/52/93/72/811529372.db2.gz OHGYFDGKTXCCSW-NSHDSACASA-N 1 2 299.338 0.504 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077182589 815456595 /nfs/dbraw/zinc/45/65/95/815456595.db2.gz WKNSOKDACYWZSO-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001267613314 811564338 /nfs/dbraw/zinc/56/43/38/811564338.db2.gz FBPOXBFDQOMHCZ-CYBMUJFWSA-N 1 2 279.384 0.821 20 30 CCEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001267613314 811564342 /nfs/dbraw/zinc/56/43/42/811564342.db2.gz FBPOXBFDQOMHCZ-CYBMUJFWSA-N 1 2 279.384 0.821 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267617119 811573360 /nfs/dbraw/zinc/57/33/60/811573360.db2.gz DZUVKAJMMVTSNS-UONOGXRCSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267617119 811573366 /nfs/dbraw/zinc/57/33/66/811573366.db2.gz DZUVKAJMMVTSNS-UONOGXRCSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001267617523 811575038 /nfs/dbraw/zinc/57/50/38/811575038.db2.gz OSOLDHKJSQTTTM-GFCCVEGCSA-N 1 2 279.384 0.799 20 30 CCEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001267617523 811575043 /nfs/dbraw/zinc/57/50/43/811575043.db2.gz OSOLDHKJSQTTTM-GFCCVEGCSA-N 1 2 279.384 0.799 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001267629109 811586897 /nfs/dbraw/zinc/58/68/97/811586897.db2.gz NKZYLVUVKMJTIL-RYUDHWBXSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001267629109 811586903 /nfs/dbraw/zinc/58/69/03/811586903.db2.gz NKZYLVUVKMJTIL-RYUDHWBXSA-N 1 2 285.363 0.617 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001077195566 815459740 /nfs/dbraw/zinc/45/97/40/815459740.db2.gz DBNHBQIYCGJQEQ-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001077195566 815459745 /nfs/dbraw/zinc/45/97/45/815459745.db2.gz DBNHBQIYCGJQEQ-GHMZBOCLSA-N 1 2 265.313 0.252 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001267660628 811627582 /nfs/dbraw/zinc/62/75/82/811627582.db2.gz YGPMBVFFKGRDQA-UHFFFAOYSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CCCCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001267689429 811654167 /nfs/dbraw/zinc/65/41/67/811654167.db2.gz KPWGVMVXICBVNI-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCC(F)F ZINC001267711371 811673386 /nfs/dbraw/zinc/67/33/86/811673386.db2.gz UDCNAPQNOGDBPX-QWRGUYRKSA-N 1 2 272.295 0.577 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCC(F)F ZINC001267711371 811673389 /nfs/dbraw/zinc/67/33/89/811673389.db2.gz UDCNAPQNOGDBPX-QWRGUYRKSA-N 1 2 272.295 0.577 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nnc(C)o1 ZINC001267801273 811797138 /nfs/dbraw/zinc/79/71/38/811797138.db2.gz SQLMUFJBZUCYSZ-SCZZXKLOSA-N 1 2 265.317 0.522 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001077314393 815479921 /nfs/dbraw/zinc/47/99/21/815479921.db2.gz NFJDYBUVMCBTGB-VXGBXAGGSA-N 1 2 296.392 0.855 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001077314393 815479926 /nfs/dbraw/zinc/47/99/26/815479926.db2.gz NFJDYBUVMCBTGB-VXGBXAGGSA-N 1 2 296.392 0.855 20 30 CCEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105225497 811867338 /nfs/dbraw/zinc/86/73/38/811867338.db2.gz VQXGYFGTZZLMTP-UHFFFAOYSA-N 1 2 299.378 0.578 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001125966769 811949230 /nfs/dbraw/zinc/94/92/30/811949230.db2.gz AMAKXROHXZUBJW-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001077378596 815489156 /nfs/dbraw/zinc/48/91/56/815489156.db2.gz WYWQWUBZLJLMPE-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001077378596 815489160 /nfs/dbraw/zinc/48/91/60/815489160.db2.gz WYWQWUBZLJLMPE-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126331848 812345851 /nfs/dbraw/zinc/34/58/51/812345851.db2.gz BYXKNZFMMUSRED-UHFFFAOYSA-N 1 2 276.340 0.956 20 30 CCEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001268257036 812424142 /nfs/dbraw/zinc/42/41/42/812424142.db2.gz MWKDBNQQEBVMJJ-UHFFFAOYSA-N 1 2 271.324 0.595 20 30 CCEDLO C#CC[N@H+](C)CCN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001268257036 812424148 /nfs/dbraw/zinc/42/41/48/812424148.db2.gz MWKDBNQQEBVMJJ-UHFFFAOYSA-N 1 2 271.324 0.595 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001268299069 812457902 /nfs/dbraw/zinc/45/79/02/812457902.db2.gz DPGSVXRADCRXSB-NSHDSACASA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CNC(=O)c2cccs2)C1 ZINC001268478357 812638306 /nfs/dbraw/zinc/63/83/06/812638306.db2.gz FKAZWWPORHZRAU-UHFFFAOYSA-N 1 2 291.376 0.302 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556051 812835840 /nfs/dbraw/zinc/83/58/40/812835840.db2.gz OEQQSPYGFNUGPS-NSHDSACASA-N 1 2 283.335 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556051 812835851 /nfs/dbraw/zinc/83/58/51/812835851.db2.gz OEQQSPYGFNUGPS-NSHDSACASA-N 1 2 283.335 0.643 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643768 813107095 /nfs/dbraw/zinc/10/70/95/813107095.db2.gz RURFLONQGXLCCG-STQMWFEESA-N 1 2 287.367 0.407 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCCC=C)C1 ZINC001268867617 813124124 /nfs/dbraw/zinc/12/41/24/813124124.db2.gz RCTYDEBXVNETSG-CYBMUJFWSA-N 1 2 291.395 0.529 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001269023620 813180117 /nfs/dbraw/zinc/18/01/17/813180117.db2.gz XFPPGHAYQHXJBX-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001269023620 813180120 /nfs/dbraw/zinc/18/01/20/813180120.db2.gz XFPPGHAYQHXJBX-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382398 815598199 /nfs/dbraw/zinc/59/81/99/815598199.db2.gz MDHNLOCMOSVHBN-CYBMUJFWSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382398 815598200 /nfs/dbraw/zinc/59/82/00/815598200.db2.gz MDHNLOCMOSVHBN-CYBMUJFWSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001127046668 815602630 /nfs/dbraw/zinc/60/26/30/815602630.db2.gz UKENCLYQZGNLEH-SNVBAGLBSA-N 1 2 298.774 0.318 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001083648348 815603690 /nfs/dbraw/zinc/60/36/90/815603690.db2.gz VHNOXHKFRQZDQU-KGLIPLIRSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001083648348 815603695 /nfs/dbraw/zinc/60/36/95/815603695.db2.gz VHNOXHKFRQZDQU-KGLIPLIRSA-N 1 2 276.380 0.751 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001059079222 813240017 /nfs/dbraw/zinc/24/00/17/813240017.db2.gz DQIMQMHJOFNEHA-ZDUSSCGKSA-N 1 2 296.334 0.932 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001269209890 813270054 /nfs/dbraw/zinc/27/00/54/813270054.db2.gz FENXROPOZWVDRA-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001269209890 813270059 /nfs/dbraw/zinc/27/00/59/813270059.db2.gz FENXROPOZWVDRA-CYBMUJFWSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)/C(C)=C/C)C1=O ZINC001269213550 813272211 /nfs/dbraw/zinc/27/22/11/813272211.db2.gz AZAINEIUMJJEPG-NUIMBWKGSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)/C(C)=C/C)C1=O ZINC001269213550 813272217 /nfs/dbraw/zinc/27/22/17/813272217.db2.gz AZAINEIUMJJEPG-NUIMBWKGSA-N 1 2 291.395 0.930 20 30 CCEDLO CC[C@@H](C)OCC(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269223423 813277948 /nfs/dbraw/zinc/27/79/48/813277948.db2.gz NYCZUBGHSLVSPC-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO CC[C@@H](C)OCC(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269223423 813277953 /nfs/dbraw/zinc/27/79/53/813277953.db2.gz NYCZUBGHSLVSPC-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1nccc1C ZINC001269310879 813321409 /nfs/dbraw/zinc/32/14/09/813321409.db2.gz OPPAPFFVVKVLBP-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1nccc1C ZINC001269310879 813321414 /nfs/dbraw/zinc/32/14/14/813321414.db2.gz OPPAPFFVVKVLBP-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001269569309 813426334 /nfs/dbraw/zinc/42/63/34/813426334.db2.gz PDALLUFMRHTVDZ-CHWSQXEVSA-N 1 2 286.335 0.177 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001269764430 813496532 /nfs/dbraw/zinc/49/65/32/813496532.db2.gz WRJFAZAXCVVSNN-NSHDSACASA-N 1 2 251.330 0.491 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@@]1(C)CCN(CC#N)C1 ZINC001270600088 813831839 /nfs/dbraw/zinc/83/18/39/813831839.db2.gz SVTSASULHYNJCS-HNNXBMFYSA-N 1 2 288.351 0.737 20 30 CCEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC001087797602 814215418 /nfs/dbraw/zinc/21/54/18/814215418.db2.gz YEFFYGRFFQVKPY-QWHCGFSZSA-N 1 2 275.356 0.455 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)COC)C1 ZINC001271262522 814355859 /nfs/dbraw/zinc/35/58/59/814355859.db2.gz KRAWSYCXNZODIL-LLVKDONJSA-N 1 2 256.346 0.008 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001271335572 814383321 /nfs/dbraw/zinc/38/33/21/814383321.db2.gz KPYARLWHIYWGAG-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO C[C@@H](NCC#N)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271559890 814477117 /nfs/dbraw/zinc/47/71/17/814477117.db2.gz FUUQOGPKBBJFQG-NEPJUHHUSA-N 1 2 261.329 0.233 20 30 CCEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001088410610 814677264 /nfs/dbraw/zinc/67/72/64/814677264.db2.gz LZBKHSHSKLXVGX-LBPRGKRZSA-N 1 2 275.356 0.341 20 30 CCEDLO CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)C#CC1CC1 ZINC001272013674 814717694 /nfs/dbraw/zinc/71/76/94/814717694.db2.gz PTLAIZCYVBZYPB-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)C#CC1CC1 ZINC001272013674 814717698 /nfs/dbraw/zinc/71/76/98/814717698.db2.gz PTLAIZCYVBZYPB-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001059847182 814894957 /nfs/dbraw/zinc/89/49/57/814894957.db2.gz BNWBGSHTSHVPDT-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001088569627 814921147 /nfs/dbraw/zinc/92/11/47/814921147.db2.gz BQCQKRKILIFAOH-ZJUUUORDSA-N 1 2 284.751 0.005 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001088569627 814921152 /nfs/dbraw/zinc/92/11/52/814921152.db2.gz BQCQKRKILIFAOH-ZJUUUORDSA-N 1 2 284.751 0.005 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001127040155 815589963 /nfs/dbraw/zinc/58/99/63/815589963.db2.gz ZJTYISYBYKSNPU-SNVBAGLBSA-N 1 2 292.339 0.191 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](O)C1 ZINC001083666854 815638374 /nfs/dbraw/zinc/63/83/74/815638374.db2.gz ADDWGJIXZLOSTQ-KGLIPLIRSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](O)C1 ZINC001083666854 815638381 /nfs/dbraw/zinc/63/83/81/815638381.db2.gz ADDWGJIXZLOSTQ-KGLIPLIRSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212145977 815659545 /nfs/dbraw/zinc/65/95/45/815659545.db2.gz GGFPKNKMSHDZTA-CHWSQXEVSA-N 1 2 270.348 0.965 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212145977 815659549 /nfs/dbraw/zinc/65/95/49/815659549.db2.gz GGFPKNKMSHDZTA-CHWSQXEVSA-N 1 2 270.348 0.965 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001030405600 816017694 /nfs/dbraw/zinc/01/76/94/816017694.db2.gz DTAXFQXGXDBRKT-UHFFFAOYSA-N 1 2 288.351 0.411 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001030421474 816029253 /nfs/dbraw/zinc/02/92/53/816029253.db2.gz FMUCHGKWKWJXKU-UONOGXRCSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001030429520 816033135 /nfs/dbraw/zinc/03/31/35/816033135.db2.gz XZUGLZLBJCZEQB-LBPRGKRZSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001030456904 816046860 /nfs/dbraw/zinc/04/68/60/816046860.db2.gz NHNGFUSYYRACFD-UHFFFAOYSA-N 1 2 287.319 0.290 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN1CC#N ZINC001088849508 816068852 /nfs/dbraw/zinc/06/88/52/816068852.db2.gz ULLHPPVWOLJDCI-WOPDTQHZSA-N 1 2 287.367 0.932 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1C ZINC001089050702 816226106 /nfs/dbraw/zinc/22/61/06/816226106.db2.gz OAHWZVNIZZUETG-AGIUHOORSA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1C ZINC001089050702 816226109 /nfs/dbraw/zinc/22/61/09/816226109.db2.gz OAHWZVNIZZUETG-AGIUHOORSA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001030780557 816287780 /nfs/dbraw/zinc/28/77/80/816287780.db2.gz XCLGFUQZSNTEFT-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001272348413 816348131 /nfs/dbraw/zinc/34/81/31/816348131.db2.gz GZAHXCFSWGCYNC-UHFFFAOYSA-N 1 2 286.379 0.829 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001272348413 816348138 /nfs/dbraw/zinc/34/81/38/816348138.db2.gz GZAHXCFSWGCYNC-UHFFFAOYSA-N 1 2 286.379 0.829 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001272348413 816348143 /nfs/dbraw/zinc/34/81/43/816348143.db2.gz GZAHXCFSWGCYNC-UHFFFAOYSA-N 1 2 286.379 0.829 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccnc2C)C1 ZINC001030952124 816491609 /nfs/dbraw/zinc/49/16/09/816491609.db2.gz SHECHRRAEFNSPL-UHFFFAOYSA-N 1 2 257.337 0.756 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3cccnc32)[C@@H](O)C1 ZINC001083718466 816631964 /nfs/dbraw/zinc/63/19/64/816631964.db2.gz RUWJQUVPADWGKO-ZNMIVQPWSA-N 1 2 299.374 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3cccnc32)[C@@H](O)C1 ZINC001083718466 816631967 /nfs/dbraw/zinc/63/19/67/816631967.db2.gz RUWJQUVPADWGKO-ZNMIVQPWSA-N 1 2 299.374 0.296 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001031154590 816712347 /nfs/dbraw/zinc/71/23/47/816712347.db2.gz RJVZIXQJXCOPOM-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001031196331 816780842 /nfs/dbraw/zinc/78/08/42/816780842.db2.gz PDJCZUDTYHVAEJ-UHFFFAOYSA-N 1 2 261.325 0.673 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001031220425 816835501 /nfs/dbraw/zinc/83/55/01/816835501.db2.gz WPSFRHBIXPOMQN-OCCSQVGLSA-N 1 2 250.342 0.790 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001031496514 817085654 /nfs/dbraw/zinc/08/56/54/817085654.db2.gz YUVWBFXFOALBDW-GFCCVEGCSA-N 1 2 264.369 0.873 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031744742 817310061 /nfs/dbraw/zinc/31/00/61/817310061.db2.gz PIPZTKLDNVWAMP-NSHDSACASA-N 1 2 285.775 0.313 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001031778397 817359154 /nfs/dbraw/zinc/35/91/54/817359154.db2.gz XZMQMEBAFRUTKB-GFCCVEGCSA-N 1 2 299.802 0.655 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783667 817363908 /nfs/dbraw/zinc/36/39/08/817363908.db2.gz DNVQESCZGOTSEU-GFCCVEGCSA-N 1 2 273.340 0.017 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1OC ZINC001038595796 817469112 /nfs/dbraw/zinc/46/91/12/817469112.db2.gz GQGWTLRGGYOFOK-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1OC ZINC001038595796 817469114 /nfs/dbraw/zinc/46/91/14/817469114.db2.gz GQGWTLRGGYOFOK-LLVKDONJSA-N 1 2 276.340 0.256 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(=O)n2C)C1 ZINC001031966744 817502494 /nfs/dbraw/zinc/50/24/94/817502494.db2.gz PKVWFVXYWSJGBM-UHFFFAOYSA-N 1 2 295.770 0.799 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001124765139 817566349 /nfs/dbraw/zinc/56/63/49/817566349.db2.gz MNVDTHGGMUMWAD-UHFFFAOYSA-N 1 2 296.371 0.776 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001124772367 817571337 /nfs/dbraw/zinc/57/13/37/817571337.db2.gz BYURHBWSSMBZKC-SECBINFHSA-N 1 2 268.317 0.347 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089870257 817580246 /nfs/dbraw/zinc/58/02/46/817580246.db2.gz RKEDXNVIDMWPHE-MXAVVETBSA-N 1 2 299.378 0.645 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)[C@@H](O)C1 ZINC001083779033 817580857 /nfs/dbraw/zinc/58/08/57/817580857.db2.gz ILEPSBBHYNZQKF-KGLIPLIRSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)[C@@H](O)C1 ZINC001083779033 817580862 /nfs/dbraw/zinc/58/08/62/817580862.db2.gz ILEPSBBHYNZQKF-KGLIPLIRSA-N 1 2 298.346 0.051 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001124897360 817620308 /nfs/dbraw/zinc/62/03/08/817620308.db2.gz TUTBVJILTVGCFS-QMMMGPOBSA-N 1 2 269.736 0.439 20 30 CCEDLO N#Cc1cccnc1NC/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001107239934 817816416 /nfs/dbraw/zinc/81/64/16/817816416.db2.gz BHWVLAOZXLKUCA-OWOJBTEDSA-N 1 2 296.334 0.934 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOC1 ZINC001032312447 817842473 /nfs/dbraw/zinc/84/24/73/817842473.db2.gz LLFMVDQZKISEPF-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOC1 ZINC001032312447 817842479 /nfs/dbraw/zinc/84/24/79/817842479.db2.gz LLFMVDQZKISEPF-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO N#Cc1cnccc1NC/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539043 817875995 /nfs/dbraw/zinc/87/59/95/817875995.db2.gz DANDVFKCBYSYNX-OWOJBTEDSA-N 1 2 296.334 0.425 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001077615797 817876292 /nfs/dbraw/zinc/87/62/92/817876292.db2.gz QHFVRUFARYRITF-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001077615797 817876302 /nfs/dbraw/zinc/87/63/02/817876302.db2.gz QHFVRUFARYRITF-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001077646787 817912795 /nfs/dbraw/zinc/91/27/95/817912795.db2.gz QETIFMYRQQZCII-VXGBXAGGSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001077646787 817912800 /nfs/dbraw/zinc/91/28/00/817912800.db2.gz QETIFMYRQQZCII-VXGBXAGGSA-N 1 2 277.324 0.035 20 30 CCEDLO C[C@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)[C@@H](C)C#N ZINC001107653128 817917396 /nfs/dbraw/zinc/91/73/96/817917396.db2.gz ROYLTFOKKCJSPM-DTWKUNHWSA-N 1 2 287.327 0.440 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOC)C1 ZINC001107667255 817935578 /nfs/dbraw/zinc/93/55/78/817935578.db2.gz IFJGZSPXOBLNFI-CYBMUJFWSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOC)C1 ZINC001107667255 817935582 /nfs/dbraw/zinc/93/55/82/817935582.db2.gz IFJGZSPXOBLNFI-CYBMUJFWSA-N 1 2 256.346 0.416 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC2)C1 ZINC001107675920 817938556 /nfs/dbraw/zinc/93/85/56/817938556.db2.gz SUUJOLAMZARVRV-CQSZACIVSA-N 1 2 250.342 0.627 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC2)C1 ZINC001107675920 817938562 /nfs/dbraw/zinc/93/85/62/817938562.db2.gz SUUJOLAMZARVRV-CQSZACIVSA-N 1 2 250.342 0.627 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2C)C1 ZINC001107739540 817978856 /nfs/dbraw/zinc/97/88/56/817978856.db2.gz NGHVGLQLDMVTEV-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2C)C1 ZINC001107739540 817978862 /nfs/dbraw/zinc/97/88/62/817978862.db2.gz NGHVGLQLDMVTEV-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSCC#N)C1 ZINC001107753802 817984393 /nfs/dbraw/zinc/98/43/93/817984393.db2.gz MRGOFNWCLRYVEL-AWEZNQCLSA-N 1 2 295.408 0.474 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CSCC#N)C1 ZINC001107753802 817984401 /nfs/dbraw/zinc/98/44/01/817984401.db2.gz MRGOFNWCLRYVEL-AWEZNQCLSA-N 1 2 295.408 0.474 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107750520 817986294 /nfs/dbraw/zinc/98/62/94/817986294.db2.gz TVJHYMKRMKHNNC-AWEZNQCLSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107750520 817986297 /nfs/dbraw/zinc/98/62/97/817986297.db2.gz TVJHYMKRMKHNNC-AWEZNQCLSA-N 1 2 252.358 0.873 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOC)C1 ZINC001107770622 817997072 /nfs/dbraw/zinc/99/70/72/817997072.db2.gz RGAVYLDOABFMPN-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOC)C1 ZINC001107770622 817997077 /nfs/dbraw/zinc/99/70/77/817997077.db2.gz RGAVYLDOABFMPN-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107808099 818022032 /nfs/dbraw/zinc/02/20/32/818022032.db2.gz AVYGESWGEGBEIX-ZFWWWQNUSA-N 1 2 282.384 0.499 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)COC)C1 ZINC001107808099 818022037 /nfs/dbraw/zinc/02/20/37/818022037.db2.gz AVYGESWGEGBEIX-ZFWWWQNUSA-N 1 2 282.384 0.499 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804804 818024114 /nfs/dbraw/zinc/02/41/14/818024114.db2.gz QELVYMHUFUMREW-INIZCTEOSA-N 1 2 292.379 0.911 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804804 818024123 /nfs/dbraw/zinc/02/41/23/818024123.db2.gz QELVYMHUFUMREW-INIZCTEOSA-N 1 2 292.379 0.911 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1C ZINC001032819742 818065234 /nfs/dbraw/zinc/06/52/34/818065234.db2.gz AYVISQZYTFOZPX-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1C ZINC001032819742 818065239 /nfs/dbraw/zinc/06/52/39/818065239.db2.gz AYVISQZYTFOZPX-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001089977753 818111601 /nfs/dbraw/zinc/11/16/01/818111601.db2.gz YANSSTHCTVKCCG-CABCVRRESA-N 1 2 291.326 0.769 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001089977753 818111608 /nfs/dbraw/zinc/11/16/08/818111608.db2.gz YANSSTHCTVKCCG-CABCVRRESA-N 1 2 291.326 0.769 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050840825 818173129 /nfs/dbraw/zinc/17/31/29/818173129.db2.gz RTBQCXHCPHRGKP-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001050840825 818173133 /nfs/dbraw/zinc/17/31/33/818173133.db2.gz RTBQCXHCPHRGKP-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001038090257 818257165 /nfs/dbraw/zinc/25/71/65/818257165.db2.gz SSMSGXPNADVQJM-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001038090257 818257171 /nfs/dbraw/zinc/25/71/71/818257171.db2.gz SSMSGXPNADVQJM-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090053379 818368645 /nfs/dbraw/zinc/36/86/45/818368645.db2.gz AGOOVPHYYURYPL-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090053379 818368648 /nfs/dbraw/zinc/36/86/48/818368648.db2.gz AGOOVPHYYURYPL-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001032994104 818408889 /nfs/dbraw/zinc/40/88/89/818408889.db2.gz SRFKCYSVLSODRX-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001032994104 818408894 /nfs/dbraw/zinc/40/88/94/818408894.db2.gz SRFKCYSVLSODRX-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001033049924 818463159 /nfs/dbraw/zinc/46/31/59/818463159.db2.gz ZITFWBVFUMAAKG-UWVGGRQHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001033049924 818463163 /nfs/dbraw/zinc/46/31/63/818463163.db2.gz ZITFWBVFUMAAKG-UWVGGRQHSA-N 1 2 287.747 0.380 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001033491421 818800575 /nfs/dbraw/zinc/80/05/75/818800575.db2.gz QMWRIFORVBTRAB-SNVBAGLBSA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001033491421 818800581 /nfs/dbraw/zinc/80/05/81/818800581.db2.gz QMWRIFORVBTRAB-SNVBAGLBSA-N 1 2 291.376 0.627 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCC)[C@@H](n2ccnn2)C1 ZINC001128715871 818872201 /nfs/dbraw/zinc/87/22/01/818872201.db2.gz HYPNRPZJZSQQGG-OLZOCXBDSA-N 1 2 275.356 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCC)[C@@H](n2ccnn2)C1 ZINC001128715871 818872211 /nfs/dbraw/zinc/87/22/11/818872211.db2.gz HYPNRPZJZSQQGG-OLZOCXBDSA-N 1 2 275.356 0.443 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001108118825 819099908 /nfs/dbraw/zinc/09/99/08/819099908.db2.gz CBVSRROIMKSMOM-AWEZNQCLSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001108118825 819099913 /nfs/dbraw/zinc/09/99/13/819099913.db2.gz CBVSRROIMKSMOM-AWEZNQCLSA-N 1 2 294.355 0.132 20 30 CCEDLO N#CCN1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001034420194 819201222 /nfs/dbraw/zinc/20/12/22/819201222.db2.gz PPYHSTRZSYUUJB-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108131921 819267027 /nfs/dbraw/zinc/26/70/27/819267027.db2.gz DYITVLLAJGOYPA-CQSZACIVSA-N 1 2 270.348 0.967 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108131921 819267033 /nfs/dbraw/zinc/26/70/33/819267033.db2.gz DYITVLLAJGOYPA-CQSZACIVSA-N 1 2 270.348 0.967 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001035307941 819453812 /nfs/dbraw/zinc/45/38/12/819453812.db2.gz AEOOTJZTMJVIPW-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001035307941 819453815 /nfs/dbraw/zinc/45/38/15/819453815.db2.gz AEOOTJZTMJVIPW-NSHDSACASA-N 1 2 263.297 0.129 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035365526 819490087 /nfs/dbraw/zinc/49/00/87/819490087.db2.gz PECBXJOXNONEBO-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC001035365526 819490089 /nfs/dbraw/zinc/49/00/89/819490089.db2.gz PECBXJOXNONEBO-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001035368408 819491248 /nfs/dbraw/zinc/49/12/48/819491248.db2.gz QNZMFWJRJIHTMS-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001035368408 819491253 /nfs/dbraw/zinc/49/12/53/819491253.db2.gz QNZMFWJRJIHTMS-ZNMIVQPWSA-N 1 2 294.395 0.971 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001035520904 819553397 /nfs/dbraw/zinc/55/33/97/819553397.db2.gz GQSOWGSIZCUABD-LBPRGKRZSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001035520904 819553405 /nfs/dbraw/zinc/55/34/05/819553405.db2.gz GQSOWGSIZCUABD-LBPRGKRZSA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2oncc2C)C1 ZINC001035568602 819559187 /nfs/dbraw/zinc/55/91/87/819559187.db2.gz VUDHNPPQVHJMBN-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2oncc2C)C1 ZINC001035568602 819559189 /nfs/dbraw/zinc/55/91/89/819559189.db2.gz VUDHNPPQVHJMBN-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC2(CN(CC#N)C2)CC1 ZINC001035837449 819634260 /nfs/dbraw/zinc/63/42/60/819634260.db2.gz WPGUEFGGVWILBI-UHFFFAOYSA-N 1 2 287.367 0.411 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001036253503 819715925 /nfs/dbraw/zinc/71/59/25/819715925.db2.gz KYIVVZSIOKKIGQ-AAEUAGOBSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064703000 820221719 /nfs/dbraw/zinc/22/17/19/820221719.db2.gz VRAHDJUIJAVHGJ-JTQLQIEISA-N 1 2 289.339 0.267 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991235 820497326 /nfs/dbraw/zinc/49/73/26/820497326.db2.gz ARXYCFDFFVSHSN-FRRDWIJNSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@H](OC)C1 ZINC001081423525 820762699 /nfs/dbraw/zinc/76/26/99/820762699.db2.gz CGLJWRYRKDYXDE-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@H](OC)C1 ZINC001081423525 820762702 /nfs/dbraw/zinc/76/27/02/820762702.db2.gz CGLJWRYRKDYXDE-VXGBXAGGSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@H](OC)C1 ZINC001081881095 820851586 /nfs/dbraw/zinc/85/15/86/820851586.db2.gz FKIIZBZPTBOYID-ZIAGYGMSSA-N 1 2 290.367 0.424 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@H](OC)C1 ZINC001081881095 820851597 /nfs/dbraw/zinc/85/15/97/820851597.db2.gz FKIIZBZPTBOYID-ZIAGYGMSSA-N 1 2 290.367 0.424 20 30 CCEDLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1NCC#N ZINC001082604382 821003811 /nfs/dbraw/zinc/00/38/11/821003811.db2.gz NHSBIODSRIJSSY-YRGRVCCFSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083024540 821113119 /nfs/dbraw/zinc/11/31/19/821113119.db2.gz QVEMPFCQKAKTAU-YYAQPZEXSA-N 1 2 283.759 0.810 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083024540 821113122 /nfs/dbraw/zinc/11/31/22/821113122.db2.gz QVEMPFCQKAKTAU-YYAQPZEXSA-N 1 2 283.759 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1 ZINC001083039503 821122598 /nfs/dbraw/zinc/12/25/98/821122598.db2.gz HWUZNQHFYOMAHC-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1 ZINC001083039503 821122603 /nfs/dbraw/zinc/12/26/03/821122603.db2.gz HWUZNQHFYOMAHC-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](O)C1 ZINC001083972080 821176429 /nfs/dbraw/zinc/17/64/29/821176429.db2.gz HGDAMXDDIQNZCU-JJXSEGSLSA-N 1 2 284.359 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](O)C1 ZINC001083972080 821176436 /nfs/dbraw/zinc/17/64/36/821176436.db2.gz HGDAMXDDIQNZCU-JJXSEGSLSA-N 1 2 284.359 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001084082173 821185416 /nfs/dbraw/zinc/18/54/16/821185416.db2.gz BTLLDKSHDQLVCV-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001084082173 821185420 /nfs/dbraw/zinc/18/54/20/821185420.db2.gz BTLLDKSHDQLVCV-IMJJTQAJSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001084752136 821376583 /nfs/dbraw/zinc/37/65/83/821376583.db2.gz VFGUOVNZJHCXPW-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001084752136 821376590 /nfs/dbraw/zinc/37/65/90/821376590.db2.gz VFGUOVNZJHCXPW-VXGBXAGGSA-N 1 2 259.309 0.763 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084763392 821380371 /nfs/dbraw/zinc/38/03/71/821380371.db2.gz MCUDTMRMDJWSAL-GHMZBOCLSA-N 1 2 295.774 0.632 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084763392 821380379 /nfs/dbraw/zinc/38/03/79/821380379.db2.gz MCUDTMRMDJWSAL-GHMZBOCLSA-N 1 2 295.774 0.632 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000712277873 821488792 /nfs/dbraw/zinc/48/87/92/821488792.db2.gz VNYVQYUDFHHNJI-GFCCVEGCSA-N 1 2 294.380 0.634 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000712277873 821488796 /nfs/dbraw/zinc/48/87/96/821488796.db2.gz VNYVQYUDFHHNJI-GFCCVEGCSA-N 1 2 294.380 0.634 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](COC)OC)C1 ZINC001108195897 821558811 /nfs/dbraw/zinc/55/88/11/821558811.db2.gz NHMHBPAAFNGQAF-GXTWGEPZSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](COC)OC)C1 ZINC001108195897 821558814 /nfs/dbraw/zinc/55/88/14/821558814.db2.gz NHMHBPAAFNGQAF-GXTWGEPZSA-N 1 2 286.372 0.041 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1nccnc1C#N ZINC001098306993 821668545 /nfs/dbraw/zinc/66/85/45/821668545.db2.gz RIPSFAGYFBKHND-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001085551796 821786232 /nfs/dbraw/zinc/78/62/32/821786232.db2.gz JSSVPSNJVOMGCV-CYBMUJFWSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001085551796 821786236 /nfs/dbraw/zinc/78/62/36/821786236.db2.gz JSSVPSNJVOMGCV-CYBMUJFWSA-N 1 2 256.309 0.666 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085638522 821870964 /nfs/dbraw/zinc/87/09/64/821870964.db2.gz SSCFTIGLZDBGJS-ZDUSSCGKSA-N 1 2 289.383 0.776 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nnn1CC ZINC001085638522 821870966 /nfs/dbraw/zinc/87/09/66/821870966.db2.gz SSCFTIGLZDBGJS-ZDUSSCGKSA-N 1 2 289.383 0.776 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)ncn1C ZINC001085654977 821871683 /nfs/dbraw/zinc/87/16/83/821871683.db2.gz DQEATPJQNOUNMS-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)ncn1C ZINC001085654977 821871688 /nfs/dbraw/zinc/87/16/88/821871688.db2.gz DQEATPJQNOUNMS-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CCOC ZINC001085661607 821879813 /nfs/dbraw/zinc/87/98/13/821879813.db2.gz CZJQPHCWYXLRON-ZDUSSCGKSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CCOC ZINC001085661607 821879825 /nfs/dbraw/zinc/87/98/25/821879825.db2.gz CZJQPHCWYXLRON-ZDUSSCGKSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001085680159 821895371 /nfs/dbraw/zinc/89/53/71/821895371.db2.gz ACRHYBXMAFXTNF-UKRRQHHQSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001085680159 821895377 /nfs/dbraw/zinc/89/53/77/821895377.db2.gz ACRHYBXMAFXTNF-UKRRQHHQSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085723174 821922229 /nfs/dbraw/zinc/92/22/29/821922229.db2.gz QMWQMPATWMHNAZ-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085723174 821922236 /nfs/dbraw/zinc/92/22/36/821922236.db2.gz QMWQMPATWMHNAZ-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001085748080 821928533 /nfs/dbraw/zinc/92/85/33/821928533.db2.gz XFCPEBYYUHBCPU-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC001085748080 821928543 /nfs/dbraw/zinc/92/85/43/821928543.db2.gz XFCPEBYYUHBCPU-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782378 821950953 /nfs/dbraw/zinc/95/09/53/821950953.db2.gz SPKKJLBCQZMNTQ-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782378 821950957 /nfs/dbraw/zinc/95/09/57/821950957.db2.gz SPKKJLBCQZMNTQ-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001085812637 821963334 /nfs/dbraw/zinc/96/33/34/821963334.db2.gz IGUCRYOVMLUIJK-NWDGAFQWSA-N 1 2 287.367 0.886 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nncn2c1 ZINC001085873398 821991244 /nfs/dbraw/zinc/99/12/44/821991244.db2.gz ZBXWYCSNHXSIQU-CYBMUJFWSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nncn2c1 ZINC001085873398 821991252 /nfs/dbraw/zinc/99/12/52/821991252.db2.gz ZBXWYCSNHXSIQU-CYBMUJFWSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnn1 ZINC001085888911 821999755 /nfs/dbraw/zinc/99/97/55/821999755.db2.gz LMEVAXQOUDSOAZ-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnn1 ZINC001085888911 821999758 /nfs/dbraw/zinc/99/97/58/821999758.db2.gz LMEVAXQOUDSOAZ-LBPRGKRZSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108269394 822225790 /nfs/dbraw/zinc/22/57/90/822225790.db2.gz DRIJPCCGRTVRCO-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108269394 822225800 /nfs/dbraw/zinc/22/58/00/822225800.db2.gz DRIJPCCGRTVRCO-OAHLLOKOSA-N 1 2 290.367 0.562 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291107 822322021 /nfs/dbraw/zinc/32/20/21/822322021.db2.gz JMWWEHDNQSYAFY-LBPRGKRZSA-N 1 2 266.301 0.076 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291107 822322031 /nfs/dbraw/zinc/32/20/31/822322031.db2.gz JMWWEHDNQSYAFY-LBPRGKRZSA-N 1 2 266.301 0.076 20 30 CCEDLO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114253396 837487232 /nfs/dbraw/zinc/48/72/32/837487232.db2.gz NGMRNTBERBKHAP-FOLVSLTJSA-N 1 2 284.363 0.380 20 30 CCEDLO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114253396 837487239 /nfs/dbraw/zinc/48/72/39/837487239.db2.gz NGMRNTBERBKHAP-FOLVSLTJSA-N 1 2 284.363 0.380 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935537 844114269 /nfs/dbraw/zinc/11/42/69/844114269.db2.gz JTIJXIRNCKQSCF-SNVBAGLBSA-N 1 2 276.296 0.168 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C/CC)CC2=O)C1 ZINC001108514553 836385388 /nfs/dbraw/zinc/38/53/88/836385388.db2.gz FYZYJDONLMMKPK-UWUHSAQLSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOC)C2)C1 ZINC001108517495 836396746 /nfs/dbraw/zinc/39/67/46/836396746.db2.gz JEHIWCZLEXOZAS-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](F)C(C)C)CC2=O)C1 ZINC001108560772 836450794 /nfs/dbraw/zinc/45/07/94/836450794.db2.gz MWARBJYAZTVQNW-SMDDNHRTSA-N 1 2 297.374 0.568 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843313 836546050 /nfs/dbraw/zinc/54/60/50/836546050.db2.gz LEGAGYFYIMWQNG-AGIUHOORSA-N 1 2 290.367 0.148 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843313 836546055 /nfs/dbraw/zinc/54/60/55/836546055.db2.gz LEGAGYFYIMWQNG-AGIUHOORSA-N 1 2 290.367 0.148 20 30 CCEDLO C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255089 836648578 /nfs/dbraw/zinc/64/85/78/836648578.db2.gz LXRLWFGTMUPAPT-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)N(C)C)C2 ZINC001109810812 836732386 /nfs/dbraw/zinc/73/23/86/836732386.db2.gz DFQRHBYATIAVBF-WOPDTQHZSA-N 1 2 299.802 0.939 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)N(C)C)C2 ZINC001109810812 836732394 /nfs/dbraw/zinc/73/23/94/836732394.db2.gz DFQRHBYATIAVBF-WOPDTQHZSA-N 1 2 299.802 0.939 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001109824765 836734366 /nfs/dbraw/zinc/73/43/66/836734366.db2.gz KLLXTMVANOVTKR-ZZVYKPCYSA-N 1 2 287.367 0.833 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001109824765 836734374 /nfs/dbraw/zinc/73/43/74/836734374.db2.gz KLLXTMVANOVTKR-ZZVYKPCYSA-N 1 2 287.367 0.833 20 30 CCEDLO CC(C)COCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112710476 836881205 /nfs/dbraw/zinc/88/12/05/836881205.db2.gz BUHFULUEUQPAHO-CYBMUJFWSA-N 1 2 267.373 0.963 20 30 CCEDLO C=CCC1(O)C[NH+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC001184339393 844220839 /nfs/dbraw/zinc/22/08/39/844220839.db2.gz QHDALVFFYPCMLU-RKDXNWHRSA-N 1 2 261.268 0.664 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCNC(=O)C2CC2)CC1 ZINC001112921481 836968409 /nfs/dbraw/zinc/96/84/09/836968409.db2.gz YSMMAZKPXVGSIU-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110088261 837002262 /nfs/dbraw/zinc/00/22/62/837002262.db2.gz UFTLVNUNRUILCO-VIFPVBQESA-N 1 2 299.338 0.584 20 30 CCEDLO C=C(C)CC[NH+]1CCN(C(=O)CCS(C)(=O)=O)CC1 ZINC001113024457 837003172 /nfs/dbraw/zinc/00/31/72/837003172.db2.gz PSPMDBJTWHVMPR-UHFFFAOYSA-N 1 2 288.413 0.532 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nocc2C)CC1 ZINC001113495530 837134780 /nfs/dbraw/zinc/13/47/80/837134780.db2.gz KPMCJOALPCANRW-UHFFFAOYSA-N 1 2 279.340 0.943 20 30 CCEDLO COc1nc(NCC2([NH+]3CCCC3)COC2)ncc1C#N ZINC001157649822 837197716 /nfs/dbraw/zinc/19/77/16/837197716.db2.gz DRFDFHUGOSLJRP-UHFFFAOYSA-N 1 2 289.339 0.634 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131739132 838199320 /nfs/dbraw/zinc/19/93/20/838199320.db2.gz PPSMDWFKPFEJSC-NEPJUHHUSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131739132 838199325 /nfs/dbraw/zinc/19/93/25/838199325.db2.gz PPSMDWFKPFEJSC-NEPJUHHUSA-N 1 2 297.374 0.453 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CC2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131747390 838204360 /nfs/dbraw/zinc/20/43/60/838204360.db2.gz KYMIQCVQOIRYCF-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)CC2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131747390 838204370 /nfs/dbraw/zinc/20/43/70/838204370.db2.gz KYMIQCVQOIRYCF-YPMHNXCESA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793576 838222047 /nfs/dbraw/zinc/22/20/47/838222047.db2.gz VIGUJNUTOLAVKT-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793576 838222058 /nfs/dbraw/zinc/22/20/58/838222058.db2.gz VIGUJNUTOLAVKT-VHSXEESVSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001131867542 838253488 /nfs/dbraw/zinc/25/34/88/838253488.db2.gz RNKBMJQRCXXRBY-CQSZACIVSA-N 1 2 296.371 0.813 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(C)o2)cc1 ZINC001132216065 838338102 /nfs/dbraw/zinc/33/81/02/838338102.db2.gz XXUPUPDDAAOOQF-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132391451 838389442 /nfs/dbraw/zinc/38/94/42/838389442.db2.gz JRIGBVBJFIBHPG-UHFFFAOYSA-N 1 2 254.359 0.956 20 30 CCEDLO N#Cc1nccc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001110356626 844338151 /nfs/dbraw/zinc/33/81/51/844338151.db2.gz FWZRRCAYNRMKJZ-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001134054929 838838533 /nfs/dbraw/zinc/83/85/33/838838533.db2.gz VTRXSMVFTJBHDU-WCQGTBRESA-N 1 2 294.355 0.736 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(C)c(C#N)n1 ZINC001159293757 839105783 /nfs/dbraw/zinc/10/57/83/839105783.db2.gz PNZIUZRXXXBURT-UHFFFAOYSA-N 1 2 257.297 0.963 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001135142043 839167323 /nfs/dbraw/zinc/16/73/23/839167323.db2.gz CYAXSBDQICCUOY-RYUDHWBXSA-N 1 2 280.328 0.257 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCCCn1cc[nH+]c1 ZINC001135580583 839309105 /nfs/dbraw/zinc/30/91/05/839309105.db2.gz BCKYJTQEJSEENL-UHFFFAOYSA-N 1 2 265.313 0.899 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1CNCC#N ZINC001185787643 844459535 /nfs/dbraw/zinc/45/95/35/844459535.db2.gz HLRVNLUYMODDLE-OLZOCXBDSA-N 1 2 275.356 0.481 20 30 CCEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc3nncn32)cc1 ZINC001170989062 839668814 /nfs/dbraw/zinc/66/88/14/839668814.db2.gz JSAZPDRYQRAKCO-UHFFFAOYSA-N 1 2 296.290 0.948 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C3CC3)C2)nn1 ZINC001185820602 844466547 /nfs/dbraw/zinc/46/65/47/844466547.db2.gz DRVDBMADVCBHEJ-AWEZNQCLSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001143907093 839890572 /nfs/dbraw/zinc/89/05/72/839890572.db2.gz KMTXCDIHDWEQNK-UHFFFAOYSA-N 1 2 285.347 0.913 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144084367 839934459 /nfs/dbraw/zinc/93/44/59/839934459.db2.gz BLUHNAOKSFIVFY-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144084367 839934463 /nfs/dbraw/zinc/93/44/63/839934463.db2.gz BLUHNAOKSFIVFY-ZDUSSCGKSA-N 1 2 273.340 0.847 20 30 CCEDLO C#Cc1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)cc1 ZINC001144576948 840090201 /nfs/dbraw/zinc/09/02/01/840090201.db2.gz XGHJGSKVGLVVOH-UHFFFAOYSA-N 1 2 269.348 0.284 20 30 CCEDLO CCC(CC)[NH2+]CCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001186888799 844611866 /nfs/dbraw/zinc/61/18/66/844611866.db2.gz QNFZAOKVGPMMFM-UHFFFAOYSA-N 1 2 279.344 0.135 20 30 CCEDLO O=C(C#CC1CC1)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001093534088 841317182 /nfs/dbraw/zinc/31/71/82/841317182.db2.gz IEBIXQBGIXWWMY-UHFFFAOYSA-N 1 2 292.379 0.084 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001093549547 841334728 /nfs/dbraw/zinc/33/47/28/841334728.db2.gz URWOXCQYTXSBGH-UHFFFAOYSA-N 1 2 291.355 0.296 20 30 CCEDLO C[C@@H](CC(=O)NCCNc1ccncc1C#N)n1cc[nH+]c1 ZINC001094167431 841551828 /nfs/dbraw/zinc/55/18/28/841551828.db2.gz AXZBEGSGISVDOY-LBPRGKRZSA-N 1 2 298.350 0.751 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C)nn2)C1 ZINC001094270557 841577604 /nfs/dbraw/zinc/57/76/04/841577604.db2.gz BQUIHSADKIREKW-MFKMUULPSA-N 1 2 275.356 0.593 20 30 CCEDLO Cc1nc(NCCCNC(=O)CSCC#N)cc[nH+]1 ZINC001094340921 841610642 /nfs/dbraw/zinc/61/06/42/841610642.db2.gz XXNKAEIAXRUTFJ-UHFFFAOYSA-N 1 2 279.369 0.960 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC34CC4)nn2)C1 ZINC001094323074 841615961 /nfs/dbraw/zinc/61/59/61/841615961.db2.gz VKQSBQVHVQXBEI-ZDUSSCGKSA-N 1 2 287.367 0.737 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001094550916 841673047 /nfs/dbraw/zinc/67/30/47/841673047.db2.gz PDWBZASFXKEIDM-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC1=O ZINC001171705477 841750709 /nfs/dbraw/zinc/75/07/09/841750709.db2.gz VNBOIVAJNNBFAY-WDEREUQCSA-N 1 2 294.355 0.320 20 30 CCEDLO CC(C)OC(=O)CC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172755620 841967839 /nfs/dbraw/zinc/96/78/39/841967839.db2.gz RBEGKRPOPLKKEJ-VXGBXAGGSA-N 1 2 253.346 0.904 20 30 CCEDLO N#Cc1nccnc1NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001110169216 842048194 /nfs/dbraw/zinc/04/81/94/842048194.db2.gz KVQGRUFNHDEANA-UHFFFAOYSA-N 1 2 297.322 0.306 20 30 CCEDLO CC[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385545 842359570 /nfs/dbraw/zinc/35/95/70/842359570.db2.gz SVYZCFPOFKSDCV-ZYHUDNBSSA-N 1 2 277.328 0.265 20 30 CCEDLO CC[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176385545 842359581 /nfs/dbraw/zinc/35/95/81/842359581.db2.gz SVYZCFPOFKSDCV-ZYHUDNBSSA-N 1 2 277.328 0.265 20 30 CCEDLO C=CCCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385790 842360542 /nfs/dbraw/zinc/36/05/42/842360542.db2.gz WDHQLWZMGFNQDM-GFCCVEGCSA-N 1 2 264.329 0.539 20 30 CCEDLO C=CCCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176385790 842360555 /nfs/dbraw/zinc/36/05/55/842360555.db2.gz WDHQLWZMGFNQDM-GFCCVEGCSA-N 1 2 264.329 0.539 20 30 CCEDLO N#CC[C@@H](O)C[NH2+]C1(c2ncccn2)CCOCC1 ZINC001176402756 842367890 /nfs/dbraw/zinc/36/78/90/842367890.db2.gz SNOIMLVBIPUWSQ-LLVKDONJSA-N 1 2 262.313 0.346 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176954559 842468964 /nfs/dbraw/zinc/46/89/64/842468964.db2.gz FLSCYJLPWDAVFG-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176954559 842468970 /nfs/dbraw/zinc/46/89/70/842468970.db2.gz FLSCYJLPWDAVFG-KBPBESRZSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001177269010 842540484 /nfs/dbraw/zinc/54/04/84/842540484.db2.gz CKWVYJBURFMDGP-NSHDSACASA-N 1 2 296.371 0.819 20 30 CCEDLO C=C(C)C(=O)OCCNC(=O)CN(C)c1cccc[nH+]1 ZINC001177413284 842584573 /nfs/dbraw/zinc/58/45/73/842584573.db2.gz ABFZSNAXUXWPCU-UHFFFAOYSA-N 1 2 277.324 0.753 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)Cc2ccnc(C#N)c2)[nH+]1 ZINC001177673596 842648997 /nfs/dbraw/zinc/64/89/97/842648997.db2.gz NRMBYUZNUWVOOY-UHFFFAOYSA-N 1 2 269.308 0.886 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178700799 842907151 /nfs/dbraw/zinc/90/71/51/842907151.db2.gz BHMZSYDRKNPLHO-SNVBAGLBSA-N 1 2 291.311 0.792 20 30 CCEDLO COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178700799 842907155 /nfs/dbraw/zinc/90/71/55/842907155.db2.gz BHMZSYDRKNPLHO-SNVBAGLBSA-N 1 2 291.311 0.792 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)C1 ZINC001181196146 843422242 /nfs/dbraw/zinc/42/22/42/843422242.db2.gz XEDHZLBVFGRWNO-CYBMUJFWSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)C1 ZINC001181196146 843422245 /nfs/dbraw/zinc/42/22/45/843422245.db2.gz XEDHZLBVFGRWNO-CYBMUJFWSA-N 1 2 291.326 0.687 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182203880 843748881 /nfs/dbraw/zinc/74/88/81/843748881.db2.gz HVZDXNSPDMVVHH-MFKMUULPSA-N 1 2 296.396 0.556 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182214777 843755907 /nfs/dbraw/zinc/75/59/07/843755907.db2.gz HRVOORSAKPDVEQ-MFKMUULPSA-N 1 2 296.396 0.556 20 30 CCEDLO C#CC(C)(C)C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001182642035 843886806 /nfs/dbraw/zinc/88/68/06/843886806.db2.gz XSRZROAPMLIHNJ-LBPRGKRZSA-N 1 2 291.351 0.670 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110394592 844732792 /nfs/dbraw/zinc/73/27/92/844732792.db2.gz GLEAUEURSAMQQF-LOWDOPEQSA-N 1 2 290.367 0.100 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110394592 844732797 /nfs/dbraw/zinc/73/27/97/844732797.db2.gz GLEAUEURSAMQQF-LOWDOPEQSA-N 1 2 290.367 0.100 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394616 844734339 /nfs/dbraw/zinc/73/43/39/844734339.db2.gz HEBHTPDKGVXWON-LPWJVIDDSA-N 1 2 292.383 0.346 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394616 844734345 /nfs/dbraw/zinc/73/43/45/844734345.db2.gz HEBHTPDKGVXWON-LPWJVIDDSA-N 1 2 292.383 0.346 20 30 CCEDLO C#CCN1CC2(CN(c3cc[nH+]c(OC)c3)C2)OCC1=O ZINC001273585051 845188857 /nfs/dbraw/zinc/18/88/57/845188857.db2.gz KKQBORLRGFUZGC-UHFFFAOYSA-N 1 2 287.319 0.141 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccncc2)CC1 ZINC001190924527 845538827 /nfs/dbraw/zinc/53/88/27/845538827.db2.gz IICFZJGNHDJTQC-UHFFFAOYSA-N 1 2 280.353 0.348 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH+]2CC3(COC3)C2)ccn1 ZINC001191558751 845689626 /nfs/dbraw/zinc/68/96/26/845689626.db2.gz WEDLJBGHOXAYCG-UHFFFAOYSA-N 1 2 272.308 0.015 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)ccn1 ZINC001191557580 845690426 /nfs/dbraw/zinc/69/04/26/845690426.db2.gz DMTXBVANFPSGEH-GFCCVEGCSA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)ccn1 ZINC001191557580 845690428 /nfs/dbraw/zinc/69/04/28/845690428.db2.gz DMTXBVANFPSGEH-GFCCVEGCSA-N 1 2 271.280 0.010 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2cnccc2C#N)c1 ZINC001192975450 845959601 /nfs/dbraw/zinc/95/96/01/845959601.db2.gz NDEIKSQQYMUIOB-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193178876 846024558 /nfs/dbraw/zinc/02/45/58/846024558.db2.gz RJYMZDYHAPHRSY-NEPJUHHUSA-N 1 2 294.380 0.882 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)OC)CO2 ZINC001273688007 846428983 /nfs/dbraw/zinc/42/89/83/846428983.db2.gz VDJXGOLFDRWXDJ-CHWSQXEVSA-N 1 2 282.384 0.947 20 30 CCEDLO CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001273689020 846435632 /nfs/dbraw/zinc/43/56/32/846435632.db2.gz ZVEYEIKKLCTBHV-NEPJUHHUSA-N 1 2 281.356 0.142 20 30 CCEDLO CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)CO2 ZINC001273689026 846436134 /nfs/dbraw/zinc/43/61/34/846436134.db2.gz ZVEYEIKKLCTBHV-VXGBXAGGSA-N 1 2 281.356 0.142 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001273695616 846495806 /nfs/dbraw/zinc/49/58/06/846495806.db2.gz GNJFAFOKHIXABO-KBPBESRZSA-N 1 2 294.395 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(=C)C)C1 ZINC001195525123 846566205 /nfs/dbraw/zinc/56/62/05/846566205.db2.gz LYEGFENCBKTZQN-JHJVBQTASA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(=C)C)C1 ZINC001195525123 846566211 /nfs/dbraw/zinc/56/62/11/846566211.db2.gz LYEGFENCBKTZQN-JHJVBQTASA-N 1 2 250.342 0.383 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195645589 846592412 /nfs/dbraw/zinc/59/24/12/846592412.db2.gz WRQWSPDTXJTMKC-GFCCVEGCSA-N 1 2 265.357 0.198 20 30 CCEDLO C#CCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195645589 846592418 /nfs/dbraw/zinc/59/24/18/846592418.db2.gz WRQWSPDTXJTMKC-GFCCVEGCSA-N 1 2 265.357 0.198 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001195785422 846622824 /nfs/dbraw/zinc/62/28/24/846622824.db2.gz LOLCYCUONPETFU-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001195785422 846622828 /nfs/dbraw/zinc/62/28/28/846622828.db2.gz LOLCYCUONPETFU-CYBMUJFWSA-N 1 2 291.395 0.459 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309496 846638132 /nfs/dbraw/zinc/63/81/32/846638132.db2.gz XHLCZEHKWSQSQN-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309496 846638135 /nfs/dbraw/zinc/63/81/35/846638135.db2.gz XHLCZEHKWSQSQN-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309496 846638136 /nfs/dbraw/zinc/63/81/36/846638136.db2.gz XHLCZEHKWSQSQN-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309496 846638139 /nfs/dbraw/zinc/63/81/39/846638139.db2.gz XHLCZEHKWSQSQN-JLIMGVALSA-N 1 2 278.249 0.957 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001197449971 846904900 /nfs/dbraw/zinc/90/49/00/846904900.db2.gz JAWHKCBTHABOFS-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001197449971 846904908 /nfs/dbraw/zinc/90/49/08/846904908.db2.gz JAWHKCBTHABOFS-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001198343488 847090333 /nfs/dbraw/zinc/09/03/33/847090333.db2.gz KZZCFWXKXCWKPL-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001198343488 847090336 /nfs/dbraw/zinc/09/03/36/847090336.db2.gz KZZCFWXKXCWKPL-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110547671 847549305 /nfs/dbraw/zinc/54/93/05/847549305.db2.gz PMSNDYVRKAINMK-LOWDOPEQSA-N 1 2 268.332 0.716 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110547671 847549307 /nfs/dbraw/zinc/54/93/07/847549307.db2.gz PMSNDYVRKAINMK-LOWDOPEQSA-N 1 2 268.332 0.716 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001153081339 847921701 /nfs/dbraw/zinc/92/17/01/847921701.db2.gz PJMNIUPLGSNNFR-UHFFFAOYSA-N 1 2 296.371 0.992 20 30 CCEDLO C#CCSCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000690560787 847945959 /nfs/dbraw/zinc/94/59/59/847945959.db2.gz VNQVUQRCPDCAQY-UHFFFAOYSA-N 1 2 253.375 0.884 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461636 847974665 /nfs/dbraw/zinc/97/46/65/847974665.db2.gz TXAIZEKXOYMBGE-VXGBXAGGSA-N 1 2 285.340 0.004 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461636 847974675 /nfs/dbraw/zinc/97/46/75/847974675.db2.gz TXAIZEKXOYMBGE-VXGBXAGGSA-N 1 2 285.340 0.004 20 30 CCEDLO C=CCC[C@H](O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001252591082 848028567 /nfs/dbraw/zinc/02/85/67/848028567.db2.gz JCIBWUKKYYYOTL-NSHDSACASA-N 1 2 266.345 0.644 20 30 CCEDLO C=CCC[C@H](O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001252591082 848028572 /nfs/dbraw/zinc/02/85/72/848028572.db2.gz JCIBWUKKYYYOTL-NSHDSACASA-N 1 2 266.345 0.644 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001274018316 848305476 /nfs/dbraw/zinc/30/54/76/848305476.db2.gz ZVOSTRIWYSCCOI-IHVVCDCBSA-N 1 2 288.351 0.277 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@]2(CCCN2CCC#N)C1=O ZINC001274032352 848313232 /nfs/dbraw/zinc/31/32/32/848313232.db2.gz MHFPKRAQVWMASI-OAHLLOKOSA-N 1 2 287.367 0.901 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)[nH]1 ZINC001274123283 848354153 /nfs/dbraw/zinc/35/41/53/848354153.db2.gz WALKSSDZNKSQPY-UHFFFAOYSA-N 1 2 296.334 0.567 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850115 848845271 /nfs/dbraw/zinc/84/52/71/848845271.db2.gz KYGAXGGVRLHKKU-SECBINFHSA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850115 848845276 /nfs/dbraw/zinc/84/52/76/848845276.db2.gz KYGAXGGVRLHKKU-SECBINFHSA-N 1 2 275.780 0.687 20 30 CCEDLO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccccc1C#N ZINC001275965631 848875455 /nfs/dbraw/zinc/87/54/55/848875455.db2.gz KTHHIHGLVWHIAQ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccccc1C#N ZINC001275965631 848875458 /nfs/dbraw/zinc/87/54/58/848875458.db2.gz KTHHIHGLVWHIAQ-IYBDPMFKSA-N 1 2 298.390 0.905 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2ccon2)C1 ZINC001276027989 848896067 /nfs/dbraw/zinc/89/60/67/848896067.db2.gz NIEDPXQQFINFMN-UHFFFAOYSA-N 1 2 265.313 0.417 20 30 CCEDLO CN(CCCNCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276086003 848920652 /nfs/dbraw/zinc/92/06/52/848920652.db2.gz ZOWRSWMWSBFBSG-LBPRGKRZSA-N 1 2 275.356 0.407 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2nccs2)C1 ZINC001276094497 848924873 /nfs/dbraw/zinc/92/48/73/848924873.db2.gz KYCRTIWBPSKCRA-UHFFFAOYSA-N 1 2 281.381 0.886 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2ccccc2)C[C@@H]1CO ZINC000687594213 849122446 /nfs/dbraw/zinc/12/24/46/849122446.db2.gz FABSLWKOCSDAFW-CQSZACIVSA-N 1 2 258.321 0.173 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2ccccc2)C[C@@H]1CO ZINC000687594213 849122452 /nfs/dbraw/zinc/12/24/52/849122452.db2.gz FABSLWKOCSDAFW-CQSZACIVSA-N 1 2 258.321 0.173 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC)OC)C1 ZINC001276350095 849441774 /nfs/dbraw/zinc/44/17/74/849441774.db2.gz DNEYPWKWIFGFQK-AAEUAGOBSA-N 1 2 297.399 0.150 20 30 CCEDLO CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001276376894 849796551 /nfs/dbraw/zinc/79/65/51/849796551.db2.gz QABSSQNXTPZJKV-LLVKDONJSA-N 1 2 279.384 0.218 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290536 849838611 /nfs/dbraw/zinc/83/86/11/849838611.db2.gz PCQVXKDSYRSPLI-SECBINFHSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290536 849838622 /nfs/dbraw/zinc/83/86/22/849838622.db2.gz PCQVXKDSYRSPLI-SECBINFHSA-N 1 2 268.267 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038324678 849850496 /nfs/dbraw/zinc/85/04/96/849850496.db2.gz CVMZXUGBWXHGCG-LBPRGKRZSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038324678 849850502 /nfs/dbraw/zinc/85/05/02/849850502.db2.gz CVMZXUGBWXHGCG-LBPRGKRZSA-N 1 2 283.335 0.704 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038355124 849863644 /nfs/dbraw/zinc/86/36/44/849863644.db2.gz ZRTIZRZIYWVWRI-SNVBAGLBSA-N 1 2 284.319 0.706 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038355124 849863650 /nfs/dbraw/zinc/86/36/50/849863650.db2.gz ZRTIZRZIYWVWRI-SNVBAGLBSA-N 1 2 284.319 0.706 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038404906 849884665 /nfs/dbraw/zinc/88/46/65/849884665.db2.gz DQGFXLYJGLRCBW-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038404906 849884667 /nfs/dbraw/zinc/88/46/67/849884667.db2.gz DQGFXLYJGLRCBW-ZDUSSCGKSA-N 1 2 297.362 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038515842 849928701 /nfs/dbraw/zinc/92/87/01/849928701.db2.gz GGPFTWLRQFKXBE-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038515842 849928709 /nfs/dbraw/zinc/92/87/09/849928709.db2.gz GGPFTWLRQFKXBE-VIFPVBQESA-N 1 2 282.294 0.795 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001038572959 849946724 /nfs/dbraw/zinc/94/67/24/849946724.db2.gz USYAWBBAHHADSJ-CYBMUJFWSA-N 1 2 297.362 0.648 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001038572959 849946729 /nfs/dbraw/zinc/94/67/29/849946729.db2.gz USYAWBBAHHADSJ-CYBMUJFWSA-N 1 2 297.362 0.648 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001038682944 849980916 /nfs/dbraw/zinc/98/09/16/849980916.db2.gz GDWKCAZROZLFRM-MNOVXSKESA-N 1 2 273.340 0.544 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707658 849992044 /nfs/dbraw/zinc/99/20/44/849992044.db2.gz ZPFDYDXLKGEOAG-NSHDSACASA-N 1 2 275.356 0.470 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707658 849992050 /nfs/dbraw/zinc/99/20/50/849992050.db2.gz ZPFDYDXLKGEOAG-NSHDSACASA-N 1 2 275.356 0.470 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038808102 850022550 /nfs/dbraw/zinc/02/25/50/850022550.db2.gz AXPVXMOZNGJAQO-CYBMUJFWSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nncn2c1 ZINC001038808102 850022554 /nfs/dbraw/zinc/02/25/54/850022554.db2.gz AXPVXMOZNGJAQO-CYBMUJFWSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001038823418 850029600 /nfs/dbraw/zinc/02/96/00/850029600.db2.gz PJASPGFCSXEBTE-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001038823418 850029605 /nfs/dbraw/zinc/02/96/05/850029605.db2.gz PJASPGFCSXEBTE-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CCCN1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038937877 850093804 /nfs/dbraw/zinc/09/38/04/850093804.db2.gz YVHMFMWQYVWHHF-CYBMUJFWSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038937877 850093813 /nfs/dbraw/zinc/09/38/13/850093813.db2.gz YVHMFMWQYVWHHF-CYBMUJFWSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038937877 850093822 /nfs/dbraw/zinc/09/38/22/850093822.db2.gz YVHMFMWQYVWHHF-CYBMUJFWSA-N 1 2 286.379 0.975 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039058154 850142912 /nfs/dbraw/zinc/14/29/12/850142912.db2.gz YOIOPSMJLXBQGE-SNVBAGLBSA-N 1 2 279.365 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039058154 850142915 /nfs/dbraw/zinc/14/29/15/850142915.db2.gz YOIOPSMJLXBQGE-SNVBAGLBSA-N 1 2 279.365 0.837 20 30 CCEDLO N#CCN1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712283 850489883 /nfs/dbraw/zinc/48/98/83/850489883.db2.gz MNKZYNMXLGKDCF-CQSZACIVSA-N 1 2 273.340 0.400 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210373 850595775 /nfs/dbraw/zinc/59/57/75/850595775.db2.gz IKNGEBRPMRQNLV-VHSXEESVSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210373 850595777 /nfs/dbraw/zinc/59/57/77/850595777.db2.gz IKNGEBRPMRQNLV-VHSXEESVSA-N 1 2 271.748 0.147 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001042524706 850681453 /nfs/dbraw/zinc/68/14/53/850681453.db2.gz TZECYBTURGQQCK-VXGBXAGGSA-N 1 2 266.341 0.514 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N(C)C3CN(CC#N)C3)ccn12 ZINC001042721710 850742530 /nfs/dbraw/zinc/74/25/30/850742530.db2.gz PBQOTWHIVGJTQK-UHFFFAOYSA-N 1 2 283.335 0.923 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001042741628 850750449 /nfs/dbraw/zinc/75/04/49/850750449.db2.gz SUPXLBMRUQIBBZ-KGLIPLIRSA-N 1 2 282.384 0.757 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccn(CC)n2)C1 ZINC001042751729 850750899 /nfs/dbraw/zinc/75/08/99/850750899.db2.gz QFCWAAHVWSEWFR-UHFFFAOYSA-N 1 2 262.357 0.774 20 30 CCEDLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CN(CC#N)C1 ZINC001042758639 850753649 /nfs/dbraw/zinc/75/36/49/850753649.db2.gz NUMYMVRKABBDIR-UHFFFAOYSA-N 1 2 287.367 0.428 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001042977111 850790794 /nfs/dbraw/zinc/79/07/94/850790794.db2.gz FBQBZSXDVVHFDX-OCCSQVGLSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043090890 850810600 /nfs/dbraw/zinc/81/06/00/850810600.db2.gz CCDQWNUOTLNCPQ-UHFFFAOYSA-N 1 2 268.320 0.952 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2COCCN2CC)C1 ZINC001043176129 850826075 /nfs/dbraw/zinc/82/60/75/850826075.db2.gz ZEBUTFBEPSWNFE-CQSZACIVSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001043286657 850846113 /nfs/dbraw/zinc/84/61/13/850846113.db2.gz JQFIHORYCZTVAG-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(OC)n2)C1 ZINC001043307817 850851242 /nfs/dbraw/zinc/85/12/42/850851242.db2.gz ZVADNBHLTBWXLN-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2OC)C1 ZINC001043508189 850889853 /nfs/dbraw/zinc/88/98/53/850889853.db2.gz HIVJMVZIXRICEG-UHFFFAOYSA-N 1 2 276.340 0.208 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@@H](C)OC)C2)c1 ZINC001043821227 850941462 /nfs/dbraw/zinc/94/14/62/850941462.db2.gz DYZIKWMQGZSHEW-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC001043839586 850947522 /nfs/dbraw/zinc/94/75/22/850947522.db2.gz QHAXWCWEYZONDA-LLVKDONJSA-N 1 2 273.340 0.496 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043837099 850947655 /nfs/dbraw/zinc/94/76/55/850947655.db2.gz DQDSHWDZZIEWEG-GFCCVEGCSA-N 1 2 272.352 0.605 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001043837542 850948314 /nfs/dbraw/zinc/94/83/14/850948314.db2.gz IYTRRFMZBOVYSB-UHFFFAOYSA-N 1 2 289.383 0.640 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(OC)n2)C1 ZINC001044009008 850983817 /nfs/dbraw/zinc/98/38/17/850983817.db2.gz BQRWBBQSSQJCBX-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001044154697 851025381 /nfs/dbraw/zinc/02/53/81/851025381.db2.gz PKFWXGOFEPKQBA-INIZCTEOSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001044160246 851026866 /nfs/dbraw/zinc/02/68/66/851026866.db2.gz WWYJDGFBPGLZJC-CYBMUJFWSA-N 1 2 291.395 0.553 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001044181705 851034711 /nfs/dbraw/zinc/03/47/11/851034711.db2.gz HCGXANULPQWICW-NSHDSACASA-N 1 2 274.368 0.843 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](C)OC)C2)nc1 ZINC001044203876 851042116 /nfs/dbraw/zinc/04/21/16/851042116.db2.gz XSSRUUNRHAVDJU-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001044278356 851060337 /nfs/dbraw/zinc/06/03/37/851060337.db2.gz HIEJOWJKXBFLHW-UHFFFAOYSA-N 1 2 294.399 0.496 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2noc3c2COCC3)C1 ZINC001044316331 851076166 /nfs/dbraw/zinc/07/61/66/851076166.db2.gz AQCJNHVKIPYVMU-UHFFFAOYSA-N 1 2 289.335 0.527 20 30 CCEDLO C=CCN1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001044321258 851077746 /nfs/dbraw/zinc/07/77/46/851077746.db2.gz MJOHIOMKEUMIDI-OAHLLOKOSA-N 1 2 293.411 0.426 20 30 CCEDLO CC(C)[C@H](F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046053264 851358857 /nfs/dbraw/zinc/35/88/57/851358857.db2.gz WWILNVVTURUNCK-KBPBESRZSA-N 1 2 296.390 0.723 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046051939 851360316 /nfs/dbraw/zinc/36/03/16/851360316.db2.gz RVTRAPZANGAPOI-HZSPNIEDSA-N 1 2 276.384 0.384 20 30 CCEDLO CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046078633 851360975 /nfs/dbraw/zinc/36/09/75/851360975.db2.gz NFPIXNBMRHCKIG-ZDUSSCGKSA-N 1 2 278.400 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046446275 851509475 /nfs/dbraw/zinc/50/94/75/851509475.db2.gz XRCVMCXITACHIS-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046446275 851509480 /nfs/dbraw/zinc/50/94/80/851509480.db2.gz XRCVMCXITACHIS-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046446272 851510029 /nfs/dbraw/zinc/51/00/29/851510029.db2.gz XRCVMCXITACHIS-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046446272 851510032 /nfs/dbraw/zinc/51/00/32/851510032.db2.gz XRCVMCXITACHIS-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001047300245 851702506 /nfs/dbraw/zinc/70/25/06/851702506.db2.gz QPPGVZKAOMEDIL-QWRGUYRKSA-N 1 2 296.396 0.540 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001047300245 851702511 /nfs/dbraw/zinc/70/25/11/851702511.db2.gz QPPGVZKAOMEDIL-QWRGUYRKSA-N 1 2 296.396 0.540 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001047476359 851779498 /nfs/dbraw/zinc/77/94/98/851779498.db2.gz GRBDSBVZNDIBCM-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001047476359 851779502 /nfs/dbraw/zinc/77/95/02/851779502.db2.gz GRBDSBVZNDIBCM-STQMWFEESA-N 1 2 289.335 0.302 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359936 851955231 /nfs/dbraw/zinc/95/52/31/851955231.db2.gz JHLLZCQSXFEPRF-DOMZBBRYSA-N 1 2 290.367 0.807 20 30 CCEDLO Cc1nc(NCCN(CCO)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001111435868 852432593 /nfs/dbraw/zinc/43/25/93/852432593.db2.gz HSPOKJOVVRHQAE-JTQLQIEISA-N 1 2 277.328 0.178 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)n1)CO2 ZINC001053742119 852798216 /nfs/dbraw/zinc/79/82/16/852798216.db2.gz SIOBVKKUIXERLX-CQSZACIVSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]cc1C)CO2 ZINC001053797786 852824591 /nfs/dbraw/zinc/82/45/91/852824591.db2.gz IOUWKAWQRSPGLM-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nccs1)CO2 ZINC001053966234 852858786 /nfs/dbraw/zinc/85/87/86/852858786.db2.gz PETPZPARHZXIFR-NSHDSACASA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nonc1C)CO2 ZINC001054025267 852870268 /nfs/dbraw/zinc/87/02/68/852870268.db2.gz UZRMYEXGFGNPOA-LLVKDONJSA-N 1 2 292.339 0.527 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001098006624 853122307 /nfs/dbraw/zinc/12/23/07/853122307.db2.gz JXKATXDMXULADT-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1cnon1)CC2 ZINC001050464501 853378820 /nfs/dbraw/zinc/37/88/20/853378820.db2.gz SPYDSVZCOWULPB-LLVKDONJSA-N 1 2 289.339 0.654 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001050810554 853444329 /nfs/dbraw/zinc/44/43/29/853444329.db2.gz SRRFMFBHZWRQAU-CQSZACIVSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001050810554 853444330 /nfs/dbraw/zinc/44/43/30/853444330.db2.gz SRRFMFBHZWRQAU-CQSZACIVSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001050828969 853450526 /nfs/dbraw/zinc/45/05/26/853450526.db2.gz WWCAJNFDOFMBIN-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001050828969 853450529 /nfs/dbraw/zinc/45/05/29/853450529.db2.gz WWCAJNFDOFMBIN-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001050848755 853461095 /nfs/dbraw/zinc/46/10/95/853461095.db2.gz ONRXEYBLUSCBGF-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001050848755 853461097 /nfs/dbraw/zinc/46/10/97/853461097.db2.gz ONRXEYBLUSCBGF-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001051074354 853519042 /nfs/dbraw/zinc/51/90/42/853519042.db2.gz MBZQZDYLDVSYIB-IGQOVBAYSA-N 1 2 280.368 0.272 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001051074354 853519046 /nfs/dbraw/zinc/51/90/46/853519046.db2.gz MBZQZDYLDVSYIB-IGQOVBAYSA-N 1 2 280.368 0.272 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001051104575 853525796 /nfs/dbraw/zinc/52/57/96/853525796.db2.gz YWHSNWPRGJJTGO-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001051104575 853525799 /nfs/dbraw/zinc/52/57/99/853525799.db2.gz YWHSNWPRGJJTGO-NSHDSACASA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nocc1C ZINC001051198658 853546799 /nfs/dbraw/zinc/54/67/99/853546799.db2.gz WGMZLOFTJFRHHD-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nocc1C ZINC001051198658 853546801 /nfs/dbraw/zinc/54/68/01/853546801.db2.gz WGMZLOFTJFRHHD-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051997099 853671119 /nfs/dbraw/zinc/67/11/19/853671119.db2.gz ZKJKMMPWNWEMCW-LBPRGKRZSA-N 1 2 289.339 0.030 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001098066556 853896587 /nfs/dbraw/zinc/89/65/87/853896587.db2.gz PBVFMEQBILEUAP-MXWKQRLJSA-N 1 2 259.313 0.163 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001098066556 853896593 /nfs/dbraw/zinc/89/65/93/853896593.db2.gz PBVFMEQBILEUAP-MXWKQRLJSA-N 1 2 259.313 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC(C)C2)[C@@H](n2ccnn2)C1 ZINC001069908730 853998204 /nfs/dbraw/zinc/99/82/04/853998204.db2.gz NDFHVOGGWXCNNP-PQAZSJQKSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)C2)[C@@H](n2ccnn2)C1 ZINC001069908730 853998209 /nfs/dbraw/zinc/99/82/09/853998209.db2.gz NDFHVOGGWXCNNP-PQAZSJQKSA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(C)=O)n[nH]2)[C@H](C2CC2)C1 ZINC001070351096 854047013 /nfs/dbraw/zinc/04/70/13/854047013.db2.gz HJVBVSBRXGXYNS-QWHCGFSZSA-N 1 2 287.367 0.499 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(C)=O)n[nH]2)[C@H](C2CC2)C1 ZINC001070351096 854047016 /nfs/dbraw/zinc/04/70/16/854047016.db2.gz HJVBVSBRXGXYNS-QWHCGFSZSA-N 1 2 287.367 0.499 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC2)CC1 ZINC001070928098 854103532 /nfs/dbraw/zinc/10/35/32/854103532.db2.gz OZWXSHUNHOTFKL-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2CC2)CC1 ZINC001070928098 854103536 /nfs/dbraw/zinc/10/35/36/854103536.db2.gz OZWXSHUNHOTFKL-UHFFFAOYSA-N 1 2 265.357 0.233 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001070947355 854108480 /nfs/dbraw/zinc/10/84/80/854108480.db2.gz SOEQOTDWVYXJJV-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001070947355 854108483 /nfs/dbraw/zinc/10/84/83/854108483.db2.gz SOEQOTDWVYXJJV-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071501091 854221465 /nfs/dbraw/zinc/22/14/65/854221465.db2.gz IFLDYIDFMFGFSN-AAEUAGOBSA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071501091 854221473 /nfs/dbraw/zinc/22/14/73/854221473.db2.gz IFLDYIDFMFGFSN-AAEUAGOBSA-N 1 2 289.383 0.648 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)C1 ZINC001071806558 854296791 /nfs/dbraw/zinc/29/67/91/854296791.db2.gz FDKYQJRHJDJMBT-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)C1 ZINC001071806558 854296797 /nfs/dbraw/zinc/29/67/97/854296797.db2.gz FDKYQJRHJDJMBT-VXGBXAGGSA-N 1 2 279.384 0.797 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803784 854466271 /nfs/dbraw/zinc/46/62/71/854466271.db2.gz JRTLJGBITYZXGV-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803784 854466276 /nfs/dbraw/zinc/46/62/76/854466276.db2.gz JRTLJGBITYZXGV-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235058 854702568 /nfs/dbraw/zinc/70/25/68/854702568.db2.gz CVUAFIRBTHWLDX-ZIAGYGMSSA-N 1 2 262.353 0.721 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001074218739 854698992 /nfs/dbraw/zinc/69/89/92/854698992.db2.gz DMUJRDRONWINLG-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001074218739 854698993 /nfs/dbraw/zinc/69/89/93/854698993.db2.gz DMUJRDRONWINLG-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235058 854702558 /nfs/dbraw/zinc/70/25/58/854702558.db2.gz CVUAFIRBTHWLDX-ZIAGYGMSSA-N 1 2 262.353 0.721 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074312042 854710442 /nfs/dbraw/zinc/71/04/42/854710442.db2.gz GKRGATDBXNLGFY-KBPBESRZSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074312042 854710449 /nfs/dbraw/zinc/71/04/49/854710449.db2.gz GKRGATDBXNLGFY-KBPBESRZSA-N 1 2 296.411 0.883 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001074568089 854749857 /nfs/dbraw/zinc/74/98/57/854749857.db2.gz JHQMUUXSUXHHHF-QXEWZRGKSA-N 1 2 279.369 0.777 20 30 CCEDLO Cc1nc(N(C)CCNC(=O)C#CC(C)C)cc[nH+]1 ZINC001100055158 855086590 /nfs/dbraw/zinc/08/65/90/855086590.db2.gz RNUWLULEUSOHBU-UHFFFAOYSA-N 1 2 260.341 0.997 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)COC)c1nccn12 ZINC001101601409 855323204 /nfs/dbraw/zinc/32/32/04/855323204.db2.gz UCONNUPCNOOQDL-LBPRGKRZSA-N 1 2 288.351 0.125 20 30 CCEDLO CN(CCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975673 855402406 /nfs/dbraw/zinc/40/24/06/855402406.db2.gz MYCWATOQWUJJNY-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccncc1C#N ZINC001104052823 855563490 /nfs/dbraw/zinc/56/34/90/855563490.db2.gz KWMRYDPDYVRROQ-LLVKDONJSA-N 1 2 298.350 0.505 20 30 CCEDLO C[S@@](=O)CCN1CC[NH+](CCCSCC#N)CC1 ZINC001116346695 855750126 /nfs/dbraw/zinc/75/01/26/855750126.db2.gz YBXOHEBNMYJLHW-GOSISDBHSA-N 1 2 289.470 0.629 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(CCCSCC#N)CC1 ZINC001116346695 855750119 /nfs/dbraw/zinc/75/01/19/855750119.db2.gz YBXOHEBNMYJLHW-GOSISDBHSA-N 1 2 289.470 0.629 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1 ZINC001117697172 856050391 /nfs/dbraw/zinc/05/03/91/856050391.db2.gz XLKCSIPHHJODOB-SNVBAGLBSA-N 1 2 287.310 0.498 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1 ZINC001117697172 856050399 /nfs/dbraw/zinc/05/03/99/856050399.db2.gz XLKCSIPHHJODOB-SNVBAGLBSA-N 1 2 287.310 0.498 20 30 CCEDLO Cc1nc([C@@H](C)NC[C@H](O)C[N@H+](C)CCC#N)no1 ZINC001118149765 856175053 /nfs/dbraw/zinc/17/50/53/856175053.db2.gz OMVGVIVHYGWDDG-KOLCDFICSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1nc([C@@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)no1 ZINC001118149765 856175059 /nfs/dbraw/zinc/17/50/59/856175059.db2.gz OMVGVIVHYGWDDG-KOLCDFICSA-N 1 2 267.333 0.235 20 30 CCEDLO C#CC[N@H+](CC1CC1)[C@H](CCC(=O)OC)C(=O)OC ZINC001118495900 856315654 /nfs/dbraw/zinc/31/56/54/856315654.db2.gz GULODQGDZPKVDW-GFCCVEGCSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CC[N@@H+](CC1CC1)[C@H](CCC(=O)OC)C(=O)OC ZINC001118495900 856315664 /nfs/dbraw/zinc/31/56/64/856315664.db2.gz GULODQGDZPKVDW-GFCCVEGCSA-N 1 2 267.325 0.826 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC001119327543 856634191 /nfs/dbraw/zinc/63/41/91/856634191.db2.gz LNTBHDXKNAOMKA-JTQLQIEISA-N 1 2 270.358 0.131 20 30 CCEDLO C=CCC[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCO1 ZINC001119345138 856644118 /nfs/dbraw/zinc/64/41/18/856644118.db2.gz IWPTZBZYGSYLQV-QWRGUYRKSA-N 1 2 251.334 0.814 20 30 CCEDLO C=CCn1cc(CNC(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001327996615 914911069 /nfs/dbraw/zinc/91/10/69/914911069.db2.gz IZUQLUSMJYXOAN-UHFFFAOYSA-N 1 2 260.301 0.436 20 30 CCEDLO C=CCn1cc(CNC(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001327996615 914911078 /nfs/dbraw/zinc/91/10/78/914911078.db2.gz IZUQLUSMJYXOAN-UHFFFAOYSA-N 1 2 260.301 0.436 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC001323341183 912280733 /nfs/dbraw/zinc/28/07/33/912280733.db2.gz TUOIVKWZGLKBBZ-CQSZACIVSA-N 1 2 285.347 0.240 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC001323341183 912280751 /nfs/dbraw/zinc/28/07/51/912280751.db2.gz TUOIVKWZGLKBBZ-CQSZACIVSA-N 1 2 285.347 0.240 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001323920768 912582592 /nfs/dbraw/zinc/58/25/92/912582592.db2.gz GDAUNRRXRTULCZ-UHFFFAOYSA-N 1 2 278.356 0.677 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCOCC1 ZINC001325002115 913144500 /nfs/dbraw/zinc/14/45/00/913144500.db2.gz JFDHCSUOTVQXSZ-SECBINFHSA-N 1 2 296.264 0.775 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCOCC1 ZINC001325002115 913144513 /nfs/dbraw/zinc/14/45/13/913144513.db2.gz JFDHCSUOTVQXSZ-SECBINFHSA-N 1 2 296.264 0.775 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222428 913287548 /nfs/dbraw/zinc/28/75/48/913287548.db2.gz HIRWNLSNCMTITN-MNOVXSKESA-N 1 2 292.387 0.858 20 30 CCEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222428 913287554 /nfs/dbraw/zinc/28/75/54/913287554.db2.gz HIRWNLSNCMTITN-MNOVXSKESA-N 1 2 292.387 0.858 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001325262476 913305537 /nfs/dbraw/zinc/30/55/37/913305537.db2.gz CGWPQHYMHVIIHZ-SECBINFHSA-N 1 2 278.274 0.371 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2occc2Cl)C1 ZINC001325273701 913313118 /nfs/dbraw/zinc/31/31/18/913313118.db2.gz NOVKIBVSZQALTO-UHFFFAOYSA-N 1 2 282.727 0.733 20 30 CCEDLO C=CCn1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)nn1 ZINC001325814780 913583889 /nfs/dbraw/zinc/58/38/89/913583889.db2.gz WZNQAETVEZLLCV-JTQLQIEISA-N 1 2 270.358 0.131 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCNC1=O ZINC001481000059 892041748 /nfs/dbraw/zinc/04/17/48/892041748.db2.gz MJMYBYGHHJCYRX-CYBMUJFWSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCNC1=O ZINC001481000059 892041765 /nfs/dbraw/zinc/04/17/65/892041765.db2.gz MJMYBYGHHJCYRX-CYBMUJFWSA-N 1 2 287.791 0.703 20 30 CCEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001481377529 892605295 /nfs/dbraw/zinc/60/52/95/892605295.db2.gz CAHJYJINKNYFJZ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001481377529 892605302 /nfs/dbraw/zinc/60/53/02/892605302.db2.gz CAHJYJINKNYFJZ-OKILXGFUSA-N 1 2 291.395 0.601 20 30 CCEDLO N#CCN(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001493384548 892963544 /nfs/dbraw/zinc/96/35/44/892963544.db2.gz GRGXBFHPMALQEQ-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051766 913719522 /nfs/dbraw/zinc/71/95/22/913719522.db2.gz XHRFUKRNMKKUFL-MNOVXSKESA-N 1 2 260.359 0.018 20 30 CCEDLO C[C@H](C[N@H+]1CC[C@@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051766 913719531 /nfs/dbraw/zinc/71/95/31/913719531.db2.gz XHRFUKRNMKKUFL-MNOVXSKESA-N 1 2 260.359 0.018 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481694151 893011444 /nfs/dbraw/zinc/01/14/44/893011444.db2.gz PUFPKDBERFRSFD-LBPRGKRZSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481694151 893011464 /nfs/dbraw/zinc/01/14/64/893011464.db2.gz PUFPKDBERFRSFD-LBPRGKRZSA-N 1 2 292.383 0.419 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001481697779 893019951 /nfs/dbraw/zinc/01/99/51/893019951.db2.gz LQUMOZGGKRFIJY-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001481697779 893019970 /nfs/dbraw/zinc/01/99/70/893019970.db2.gz LQUMOZGGKRFIJY-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001481697860 893020546 /nfs/dbraw/zinc/02/05/46/893020546.db2.gz ZAWSBHFQBNKHAB-VXGBXAGGSA-N 1 2 291.351 0.774 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001481697860 893020566 /nfs/dbraw/zinc/02/05/66/893020566.db2.gz ZAWSBHFQBNKHAB-VXGBXAGGSA-N 1 2 291.351 0.774 20 30 CCEDLO CC[C@@H](C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362316745 893546661 /nfs/dbraw/zinc/54/66/61/893546661.db2.gz AAMGJABIHLZXQP-CMPLNLGQSA-N 1 2 279.340 0.432 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC001326279566 913864707 /nfs/dbraw/zinc/86/47/07/913864707.db2.gz KNVMOMHWQKVUDX-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC001326279566 913864723 /nfs/dbraw/zinc/86/47/23/913864723.db2.gz KNVMOMHWQKVUDX-CYBMUJFWSA-N 1 2 279.384 0.762 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482621434 894420871 /nfs/dbraw/zinc/42/08/71/894420871.db2.gz PYVPCJPKWOMADZ-ITGUQSILSA-N 1 2 292.383 0.062 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482621434 894420872 /nfs/dbraw/zinc/42/08/72/894420872.db2.gz PYVPCJPKWOMADZ-ITGUQSILSA-N 1 2 292.383 0.062 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1c(C)nn(C)c1C ZINC001483651349 895799148 /nfs/dbraw/zinc/79/91/48/895799148.db2.gz PQPUSCNXXVEQDN-ZDUSSCGKSA-N 1 2 290.367 0.239 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1c(C)nn(C)c1C ZINC001483651349 895799161 /nfs/dbraw/zinc/79/91/61/895799161.db2.gz PQPUSCNXXVEQDN-ZDUSSCGKSA-N 1 2 290.367 0.239 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001483670141 895826387 /nfs/dbraw/zinc/82/63/87/895826387.db2.gz JZQAVUNYPRUMFI-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001483670141 895826390 /nfs/dbraw/zinc/82/63/90/895826390.db2.gz JZQAVUNYPRUMFI-LBPRGKRZSA-N 1 2 281.400 0.867 20 30 CCEDLO C#CCCCCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001483860639 896081792 /nfs/dbraw/zinc/08/17/92/896081792.db2.gz QDKMQFPVPWVRPN-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN(C)C(=O)C2CC2)C1 ZINC001483866021 896086833 /nfs/dbraw/zinc/08/68/33/896086833.db2.gz KMHJPQRKXHEPLY-UHFFFAOYSA-N 1 2 265.357 0.183 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)OCC)C1 ZINC001483853721 896091334 /nfs/dbraw/zinc/09/13/34/896091334.db2.gz OJOUIFOQBRUKKL-LBPRGKRZSA-N 1 2 270.373 0.757 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001484032311 896157810 /nfs/dbraw/zinc/15/78/10/896157810.db2.gz MNLMMYUOMXKVBK-LBPRGKRZSA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 ZINC001484032311 896157812 /nfs/dbraw/zinc/15/78/12/896157812.db2.gz MNLMMYUOMXKVBK-LBPRGKRZSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001326611431 914046074 /nfs/dbraw/zinc/04/60/74/914046074.db2.gz KIKUIIPDQZCRNX-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001326611431 914046097 /nfs/dbraw/zinc/04/60/97/914046097.db2.gz KIKUIIPDQZCRNX-ZIAGYGMSSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001484592801 896478725 /nfs/dbraw/zinc/47/87/25/896478725.db2.gz SKDMXRYOLWRMKV-UONOGXRCSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001484592801 896478732 /nfs/dbraw/zinc/47/87/32/896478732.db2.gz SKDMXRYOLWRMKV-UONOGXRCSA-N 1 2 284.400 0.787 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001484587769 896483044 /nfs/dbraw/zinc/48/30/44/896483044.db2.gz QIMAYGBAQCEWQV-HUUCEWRRSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001484587769 896483051 /nfs/dbraw/zinc/48/30/51/896483051.db2.gz QIMAYGBAQCEWQV-HUUCEWRRSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001484601413 896488944 /nfs/dbraw/zinc/48/89/44/896488944.db2.gz TWCMXCXMNCQHHN-GFCCVEGCSA-N 1 2 293.371 0.510 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001484601413 896488947 /nfs/dbraw/zinc/48/89/47/896488947.db2.gz TWCMXCXMNCQHHN-GFCCVEGCSA-N 1 2 293.371 0.510 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001522550604 896655972 /nfs/dbraw/zinc/65/59/72/896655972.db2.gz RITCNMGQBSNEKO-UHFFFAOYSA-N 1 2 264.329 0.541 20 30 CCEDLO C=CCCC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001522550604 896655976 /nfs/dbraw/zinc/65/59/76/896655976.db2.gz RITCNMGQBSNEKO-UHFFFAOYSA-N 1 2 264.329 0.541 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC001326690059 914098805 /nfs/dbraw/zinc/09/88/05/914098805.db2.gz MJVIKANRISZRPX-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cnnn2C)C1 ZINC001485501778 897090059 /nfs/dbraw/zinc/09/00/59/897090059.db2.gz COLGDTGYRISYIQ-LLVKDONJSA-N 1 2 287.367 0.165 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366604979 897284174 /nfs/dbraw/zinc/28/41/74/897284174.db2.gz ACXDWFGYRQCLNB-SECBINFHSA-N 1 2 275.736 0.285 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366604979 897284192 /nfs/dbraw/zinc/28/41/92/897284192.db2.gz ACXDWFGYRQCLNB-SECBINFHSA-N 1 2 275.736 0.285 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cc1c[nH+]cn1C ZINC001107851844 897360627 /nfs/dbraw/zinc/36/06/27/897360627.db2.gz RXPNUEQJNYRCID-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001107855101 897369485 /nfs/dbraw/zinc/36/94/85/897369485.db2.gz QNOJWBIBOFGWBQ-AWEZNQCLSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001107855101 897369499 /nfs/dbraw/zinc/36/94/99/897369499.db2.gz QNOJWBIBOFGWBQ-AWEZNQCLSA-N 1 2 293.371 0.130 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869945 897400501 /nfs/dbraw/zinc/40/05/01/897400501.db2.gz KVUFNZYTNCRUFV-HOCLYGCPSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001107869945 897400507 /nfs/dbraw/zinc/40/05/07/897400507.db2.gz KVUFNZYTNCRUFV-HOCLYGCPSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ncncc2C1 ZINC001032440862 897571741 /nfs/dbraw/zinc/57/17/41/897571741.db2.gz XWGZOEJBIDRWJN-SNPRPXQTSA-N 1 2 296.374 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ncncc2C1 ZINC001032440862 897571752 /nfs/dbraw/zinc/57/17/52/897571752.db2.gz XWGZOEJBIDRWJN-SNPRPXQTSA-N 1 2 296.374 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nccc12 ZINC001032496927 897655761 /nfs/dbraw/zinc/65/57/61/897655761.db2.gz CRHFKZJQCBNLJH-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nccc12 ZINC001032496927 897655765 /nfs/dbraw/zinc/65/57/65/897655765.db2.gz CRHFKZJQCBNLJH-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001032541764 897724918 /nfs/dbraw/zinc/72/49/18/897724918.db2.gz FMBXFCOZBAYUDE-MELADBBJSA-N 1 2 288.351 0.026 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001032541764 897724928 /nfs/dbraw/zinc/72/49/28/897724928.db2.gz FMBXFCOZBAYUDE-MELADBBJSA-N 1 2 288.351 0.026 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnoc1 ZINC001032582874 897774438 /nfs/dbraw/zinc/77/44/38/897774438.db2.gz VHRJGBDFJWVMBA-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnoc1 ZINC001032582874 897774443 /nfs/dbraw/zinc/77/44/43/897774443.db2.gz VHRJGBDFJWVMBA-STQMWFEESA-N 1 2 259.309 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)[nH]c1=O ZINC001032649747 897896887 /nfs/dbraw/zinc/89/68/87/897896887.db2.gz RGWJSNQRLPQFOL-RYUDHWBXSA-N 1 2 271.320 0.628 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)[nH]c1=O ZINC001032649747 897896894 /nfs/dbraw/zinc/89/68/94/897896894.db2.gz RGWJSNQRLPQFOL-RYUDHWBXSA-N 1 2 271.320 0.628 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OC ZINC001032667629 897915664 /nfs/dbraw/zinc/91/56/64/897915664.db2.gz IMTSVFJZORBODH-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OC ZINC001032667629 897915668 /nfs/dbraw/zinc/91/56/68/897915668.db2.gz IMTSVFJZORBODH-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nn1 ZINC001032705883 897948391 /nfs/dbraw/zinc/94/83/91/897948391.db2.gz PEDDNJBSTITTSA-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nn1 ZINC001032705883 897948396 /nfs/dbraw/zinc/94/83/96/897948396.db2.gz PEDDNJBSTITTSA-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@@H]1CC ZINC001032721945 897979271 /nfs/dbraw/zinc/97/92/71/897979271.db2.gz NLXOHVVQPBWIHJ-IHRRRGAJSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC[C@@H]1CC ZINC001032721945 897979278 /nfs/dbraw/zinc/97/92/78/897979278.db2.gz NLXOHVVQPBWIHJ-IHRRRGAJSA-N 1 2 291.395 0.859 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001077888792 897999896 /nfs/dbraw/zinc/99/98/96/897999896.db2.gz VTPKNFIQHKRBGG-GHMZBOCLSA-N 1 2 278.308 0.086 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001077888792 897999906 /nfs/dbraw/zinc/99/99/06/897999906.db2.gz VTPKNFIQHKRBGG-GHMZBOCLSA-N 1 2 278.308 0.086 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccn2c1 ZINC001032725882 898017077 /nfs/dbraw/zinc/01/70/77/898017077.db2.gz XUYBNTVZBFZZKZ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccn2c1 ZINC001032725882 898017092 /nfs/dbraw/zinc/01/70/92/898017092.db2.gz XUYBNTVZBFZZKZ-KBPBESRZSA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)nc1 ZINC001032784994 898197472 /nfs/dbraw/zinc/19/74/72/898197472.db2.gz RQKNFKSSUYONAQ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)nc1 ZINC001032784994 898197479 /nfs/dbraw/zinc/19/74/79/898197479.db2.gz RQKNFKSSUYONAQ-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001078134919 898256514 /nfs/dbraw/zinc/25/65/14/898256514.db2.gz MGBGXRPEADQTCV-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001078199581 898297954 /nfs/dbraw/zinc/29/79/54/898297954.db2.gz NXCSARRZGSEUBC-GHMZBOCLSA-N 1 2 281.381 0.721 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001078199581 898297970 /nfs/dbraw/zinc/29/79/70/898297970.db2.gz NXCSARRZGSEUBC-GHMZBOCLSA-N 1 2 281.381 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001078254937 898316046 /nfs/dbraw/zinc/31/60/46/898316046.db2.gz XEGSTTQZRNTASQ-QJRTVWDNSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001078254937 898316062 /nfs/dbraw/zinc/31/60/62/898316062.db2.gz XEGSTTQZRNTASQ-QJRTVWDNSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1nc(C)cc1C ZINC001032813125 898439029 /nfs/dbraw/zinc/43/90/29/898439029.db2.gz NCDWWQXFBGYODH-ILXRZTDVSA-N 1 2 286.379 0.979 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1nc(C)cc1C ZINC001032813125 898439034 /nfs/dbraw/zinc/43/90/34/898439034.db2.gz NCDWWQXFBGYODH-ILXRZTDVSA-N 1 2 286.379 0.979 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC001326896209 914254963 /nfs/dbraw/zinc/25/49/63/914254963.db2.gz QGDUDAPZUSXOHB-UHFFFAOYSA-N 1 2 276.340 0.648 20 30 CCEDLO C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)NCC#N ZINC001485929113 898519526 /nfs/dbraw/zinc/51/95/26/898519526.db2.gz QNGLVYKLVGDSIO-RYUDHWBXSA-N 1 2 263.345 0.794 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001191872795 900021961 /nfs/dbraw/zinc/02/19/61/900021961.db2.gz PCCCZJPBDFYXJV-DJLDLDEBSA-N 1 2 279.262 0.260 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001191872795 900021968 /nfs/dbraw/zinc/02/19/68/900021968.db2.gz PCCCZJPBDFYXJV-DJLDLDEBSA-N 1 2 279.262 0.260 20 30 CCEDLO N#CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001192995183 900027958 /nfs/dbraw/zinc/02/79/58/900027958.db2.gz VAIVPSDUOKHARP-UHFFFAOYSA-N 1 2 280.353 0.493 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001489723250 900509071 /nfs/dbraw/zinc/50/90/71/900509071.db2.gz DRPOMLRSXSYBOC-ZDUSSCGKSA-N 1 2 290.367 0.909 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)CC[C@@H]2CCOC2)CC1 ZINC001490486475 900636919 /nfs/dbraw/zinc/63/69/19/900636919.db2.gz AVGMJCXNWFPQER-CQSZACIVSA-N 1 2 294.399 0.060 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)OCC)CCO2 ZINC001327308260 914475076 /nfs/dbraw/zinc/47/50/76/914475076.db2.gz LLBAMJRDENKZEH-ZDUSSCGKSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001327387623 914514323 /nfs/dbraw/zinc/51/43/23/914514323.db2.gz PCZOGVDNTQGKPC-ZIAGYGMSSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)COC)CO2 ZINC001327397062 914520501 /nfs/dbraw/zinc/52/05/01/914520501.db2.gz MZTOSUWAPRFUMB-ZDUSSCGKSA-N 1 2 294.395 0.642 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c[nH]1 ZINC001412416108 901701966 /nfs/dbraw/zinc/70/19/66/901701966.db2.gz DUCOJMYIZDVFNV-GFCCVEGCSA-N 1 2 270.296 0.396 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327537596 914601631 /nfs/dbraw/zinc/60/16/31/914601631.db2.gz FQHXSFZLXBEGED-OLZOCXBDSA-N 1 2 253.346 0.322 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC001412945236 902382984 /nfs/dbraw/zinc/38/29/84/902382984.db2.gz CHBLHURIESMKCU-YJYMSZOUSA-N 1 2 282.413 0.426 20 30 CCEDLO COCC#CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001332150771 904064421 /nfs/dbraw/zinc/06/44/21/904064421.db2.gz YNIZDVHTZZWCFL-UHFFFAOYSA-N 1 2 288.347 0.686 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001299674964 904075063 /nfs/dbraw/zinc/07/50/63/904075063.db2.gz ORYHDSUHLYFNJY-VXGBXAGGSA-N 1 2 286.339 0.618 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001280898386 904169343 /nfs/dbraw/zinc/16/93/43/904169343.db2.gz FGGWYAYRIBIKSX-ZDUSSCGKSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCCCCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280946388 904180833 /nfs/dbraw/zinc/18/08/33/904180833.db2.gz ANVBTKUAMCYDDJ-CQSZACIVSA-N 1 2 294.395 0.522 20 30 CCEDLO C#CCCCCC(=O)NC1(CCO)C[NH+](CCC#C)C1 ZINC001282513972 904498007 /nfs/dbraw/zinc/49/80/07/904498007.db2.gz HGRWBKNSEMEYGU-UHFFFAOYSA-N 1 2 276.380 0.756 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)CSC)C1 ZINC001282510228 904498911 /nfs/dbraw/zinc/49/89/11/904498911.db2.gz PXZOTIVNELLYGC-GFCCVEGCSA-N 1 2 284.425 0.562 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001282775837 904539815 /nfs/dbraw/zinc/53/98/15/904539815.db2.gz ZQNNJGRBLATBQV-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001282775837 904539828 /nfs/dbraw/zinc/53/98/28/904539828.db2.gz ZQNNJGRBLATBQV-MRXNPFEDSA-N 1 2 294.395 0.902 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1ncccn1 ZINC001283745546 904989565 /nfs/dbraw/zinc/98/95/65/904989565.db2.gz QZDHIDVFCNONST-CHWSQXEVSA-N 1 2 290.367 0.408 20 30 CCEDLO CC#CC[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC001284337104 905251287 /nfs/dbraw/zinc/25/12/87/905251287.db2.gz XOTHSLCAOGHCAW-NSHDSACASA-N 1 2 275.356 0.197 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284374944 905264722 /nfs/dbraw/zinc/26/47/22/905264722.db2.gz QRHRUNGBMRKWAF-LBPRGKRZSA-N 1 2 290.367 0.883 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001378021519 905348641 /nfs/dbraw/zinc/34/86/41/905348641.db2.gz FWLABGRFYXDJFI-UHFFFAOYSA-N 1 2 297.790 0.548 20 30 CCEDLO CC(C)(F)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001284877980 905452506 /nfs/dbraw/zinc/45/25/06/905452506.db2.gz KLHDJCCUPORKMS-UHFFFAOYSA-N 1 2 296.346 0.123 20 30 CCEDLO CC(C)(F)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001284877980 905452516 /nfs/dbraw/zinc/45/25/16/905452516.db2.gz KLHDJCCUPORKMS-UHFFFAOYSA-N 1 2 296.346 0.123 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284937066 905496999 /nfs/dbraw/zinc/49/69/99/905496999.db2.gz YAGKSHCDIQUXMY-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCC(=O)N[C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001285086406 905544614 /nfs/dbraw/zinc/54/46/14/905544614.db2.gz CKSDXHYPMAJMAI-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC001285757693 905755558 /nfs/dbraw/zinc/75/55/58/905755558.db2.gz LNLYTVKHLBHQDQ-LBPRGKRZSA-N 1 2 288.351 0.308 20 30 CCEDLO C=CCCC(=O)N(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001285999637 905828581 /nfs/dbraw/zinc/82/85/81/905828581.db2.gz QNSGILDTNLGGMO-UHFFFAOYSA-N 1 2 290.367 0.598 20 30 CCEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cn[nH]n1 ZINC001379077643 905979913 /nfs/dbraw/zinc/97/99/13/905979913.db2.gz RYYCBXRVLTXBJE-UHFFFAOYSA-N 1 2 298.350 0.880 20 30 CCEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cn[nH]n1 ZINC001379077643 905979921 /nfs/dbraw/zinc/97/99/21/905979921.db2.gz RYYCBXRVLTXBJE-UHFFFAOYSA-N 1 2 298.350 0.880 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379761284 906473969 /nfs/dbraw/zinc/47/39/69/906473969.db2.gz IJPDGXLFNPADIU-QMTHXVAHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001294202435 906565367 /nfs/dbraw/zinc/56/53/67/906565367.db2.gz CYCBECLWRPXBDC-LLVKDONJSA-N 1 2 291.355 0.087 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001337664924 921282418 /nfs/dbraw/zinc/28/24/18/921282418.db2.gz BPNTYVIIPHEOTP-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001337664924 921282420 /nfs/dbraw/zinc/28/24/20/921282420.db2.gz BPNTYVIIPHEOTP-KGLIPLIRSA-N 1 2 279.384 0.762 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001298485052 907247102 /nfs/dbraw/zinc/24/71/02/907247102.db2.gz HCHJDYYQABMTHL-QAVQXKDTSA-N 1 2 289.339 0.221 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001303789676 908115391 /nfs/dbraw/zinc/11/53/91/908115391.db2.gz FNCGGFLDRDNJBR-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC001307510691 908317662 /nfs/dbraw/zinc/31/76/62/908317662.db2.gz QSBSDNMKKDYQJE-LBPRGKRZSA-N 1 2 251.374 0.670 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC001307510691 908317671 /nfs/dbraw/zinc/31/76/71/908317671.db2.gz QSBSDNMKKDYQJE-LBPRGKRZSA-N 1 2 251.374 0.670 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(=O)OCC)no1 ZINC001307775130 908342387 /nfs/dbraw/zinc/34/23/87/908342387.db2.gz JWLBAKCHJRAONH-BDAKNGLRSA-N 1 2 267.285 0.679 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001385085325 908346214 /nfs/dbraw/zinc/34/62/14/908346214.db2.gz ZYMXFDJYCHUCOV-UTUOFQBUSA-N 1 2 289.339 0.148 20 30 CCEDLO N#Cc1c(N)sc2c1CC[N@@H+](CC1OCCO1)C2 ZINC001308132225 908386473 /nfs/dbraw/zinc/38/64/73/908386473.db2.gz SEJBKHVENGPQPT-UHFFFAOYSA-N 1 2 265.338 0.933 20 30 CCEDLO N#Cc1c(N)sc2c1CC[N@H+](CC1OCCO1)C2 ZINC001308132225 908386486 /nfs/dbraw/zinc/38/64/86/908386486.db2.gz SEJBKHVENGPQPT-UHFFFAOYSA-N 1 2 265.338 0.933 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001316796262 908775320 /nfs/dbraw/zinc/77/53/20/908775320.db2.gz ZDPZELDOYXVXIP-LOWVWBTDSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(CC#N)[C@@H]1C ZINC001316796262 908775324 /nfs/dbraw/zinc/77/53/24/908775324.db2.gz ZDPZELDOYXVXIP-LOWVWBTDSA-N 1 2 275.356 0.691 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001316937707 908851003 /nfs/dbraw/zinc/85/10/03/908851003.db2.gz KJTYYYIWYMBVFO-JTQLQIEISA-N 1 2 259.350 0.793 20 30 CCEDLO N#CCSCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001316937707 908851013 /nfs/dbraw/zinc/85/10/13/908851013.db2.gz KJTYYYIWYMBVFO-JTQLQIEISA-N 1 2 259.350 0.793 20 30 CCEDLO CCC(=CC(=O)NCC[NH+]1CCN(CC#N)CC1)CC ZINC001316964171 908876843 /nfs/dbraw/zinc/87/68/43/908876843.db2.gz PAWWVJKUZKNACN-UHFFFAOYSA-N 1 2 278.400 0.990 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001316976127 908896745 /nfs/dbraw/zinc/89/67/45/908896745.db2.gz KGBQSUNTHRIQFH-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001316976127 908896758 /nfs/dbraw/zinc/89/67/58/908896758.db2.gz KGBQSUNTHRIQFH-UONOGXRCSA-N 1 2 293.411 0.751 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001338418453 921460985 /nfs/dbraw/zinc/46/09/85/921460985.db2.gz BFLFDTOHPHMLRZ-RYUDHWBXSA-N 1 2 295.387 0.191 20 30 CCEDLO C=CCN(CCOC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001338418453 921460990 /nfs/dbraw/zinc/46/09/90/921460990.db2.gz BFLFDTOHPHMLRZ-RYUDHWBXSA-N 1 2 295.387 0.191 20 30 CCEDLO CN(CC#N)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317450626 909218482 /nfs/dbraw/zinc/21/84/82/909218482.db2.gz FVUOYESIPYGIGN-UHFFFAOYSA-N 1 2 257.297 0.748 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001317455763 909234063 /nfs/dbraw/zinc/23/40/63/909234063.db2.gz ACYRKVDURRLICC-HNNXBMFYSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001317455763 909234076 /nfs/dbraw/zinc/23/40/76/909234076.db2.gz ACYRKVDURRLICC-HNNXBMFYSA-N 1 2 279.384 0.693 20 30 CCEDLO CC#CCN1CC[NH+](CCN(C)C(=O)C#CC(C)C)CC1 ZINC001317816598 909510960 /nfs/dbraw/zinc/51/09/60/909510960.db2.gz JQUZLKMZSONRTF-UHFFFAOYSA-N 1 2 289.423 0.745 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCC#CC)CC1 ZINC001317820375 909511156 /nfs/dbraw/zinc/51/11/56/909511156.db2.gz QYGXENDRXAZAFO-UHFFFAOYSA-N 1 2 289.423 0.889 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001318055599 909598766 /nfs/dbraw/zinc/59/87/66/909598766.db2.gz DSCNMDAFQGTXOO-AAEUAGOBSA-N 1 2 270.373 0.396 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C1CC1 ZINC001318191110 909658131 /nfs/dbraw/zinc/65/81/31/909658131.db2.gz XIHICFHXBYTHHI-KBPBESRZSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C1CC1 ZINC001318191110 909658145 /nfs/dbraw/zinc/65/81/45/909658145.db2.gz XIHICFHXBYTHHI-KBPBESRZSA-N 1 2 291.395 0.859 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001318193122 909661034 /nfs/dbraw/zinc/66/10/34/909661034.db2.gz NIDCCTDFSJOLFP-WAQDHOJFSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\C ZINC001318193122 909661062 /nfs/dbraw/zinc/66/10/62/909661062.db2.gz NIDCCTDFSJOLFP-WAQDHOJFSA-N 1 2 289.379 0.376 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001318321049 909706024 /nfs/dbraw/zinc/70/60/24/909706024.db2.gz WFCOIXQWYBKAKT-GFCCVEGCSA-N 1 2 280.368 0.442 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001318321049 909706028 /nfs/dbraw/zinc/70/60/28/909706028.db2.gz WFCOIXQWYBKAKT-GFCCVEGCSA-N 1 2 280.368 0.442 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccco3)n2C)CC1 ZINC001338743741 921561600 /nfs/dbraw/zinc/56/16/00/921561600.db2.gz WUQWLOBENHIUSH-UHFFFAOYSA-N 1 2 285.351 0.754 20 30 CCEDLO C#CCC[NH+]1CCN(CCCCS(C)(=O)=O)CC1 ZINC001319845283 910316058 /nfs/dbraw/zinc/31/60/58/910316058.db2.gz ANRJFGURKSCUDF-UHFFFAOYSA-N 1 2 272.414 0.452 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC001320068360 910448211 /nfs/dbraw/zinc/44/82/11/910448211.db2.gz SBOMCGRKPRAYQP-QGZVFWFLSA-N 1 2 255.387 0.286 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001390544793 910509112 /nfs/dbraw/zinc/50/91/12/910509112.db2.gz YCPUHFRPNNTYNV-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC/C=C\C[NH2+]Cc2ccon2)c1 ZINC001321013771 911016521 /nfs/dbraw/zinc/01/65/21/911016521.db2.gz ZQAQWPPQJIYYON-UPHRSURJSA-N 1 2 285.307 0.950 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001391373572 911083911 /nfs/dbraw/zinc/08/39/11/911083911.db2.gz NMTVOASXDPTSBE-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001391373572 911083928 /nfs/dbraw/zinc/08/39/28/911083928.db2.gz NMTVOASXDPTSBE-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC(=O)NCC1C[NH+](CC(=O)N(CC)CCC#N)C1 ZINC001391468863 911156908 /nfs/dbraw/zinc/15/69/08/911156908.db2.gz WLIICVCGMBXKEJ-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H](CNCC#N)C1CC1)n1cc[nH+]c1 ZINC001323083412 912105886 /nfs/dbraw/zinc/10/58/86/912105886.db2.gz ZMNKVPGQIAUDRH-AAEUAGOBSA-N 1 2 275.356 0.842 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323199033 912175489 /nfs/dbraw/zinc/17/54/89/912175489.db2.gz MZEQPOSKOCAIPI-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323199033 912175501 /nfs/dbraw/zinc/17/55/01/912175501.db2.gz MZEQPOSKOCAIPI-HUUCEWRRSA-N 1 2 294.395 0.808 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(CCF)CC3)CC2)C1 ZINC001328129043 914984147 /nfs/dbraw/zinc/98/41/47/914984147.db2.gz ISVCNBGZLUZNFE-UHFFFAOYSA-N 1 2 293.386 0.588 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CCN1CC#N ZINC001328283773 915077197 /nfs/dbraw/zinc/07/71/97/915077197.db2.gz MFZAXIFCDFJFFN-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)CC(=O)Nc1ccon1 ZINC001399697691 915332806 /nfs/dbraw/zinc/33/28/06/915332806.db2.gz ZXLJJFKLEGPOGA-SNVBAGLBSA-N 1 2 293.327 0.211 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)CC(=O)Nc1ccon1 ZINC001399697691 915332825 /nfs/dbraw/zinc/33/28/25/915332825.db2.gz ZXLJJFKLEGPOGA-SNVBAGLBSA-N 1 2 293.327 0.211 20 30 CCEDLO N#CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCOCC1 ZINC001328658044 915338257 /nfs/dbraw/zinc/33/82/57/915338257.db2.gz UCDYPCNXUPRGIC-SNVBAGLBSA-N 1 2 260.297 0.244 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C3CC(O)C3)n2CC)CC1 ZINC001339578110 921766601 /nfs/dbraw/zinc/76/66/01/921766601.db2.gz NJKJHDMJVBRYGN-UHFFFAOYSA-N 1 2 289.383 0.292 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001329040825 915615467 /nfs/dbraw/zinc/61/54/67/915615467.db2.gz YKNMXMWNIDKFJN-VHSXEESVSA-N 1 2 276.340 0.774 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001400297607 915669434 /nfs/dbraw/zinc/66/94/34/915669434.db2.gz ARCKGYAJKVYMTH-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001400297607 915669437 /nfs/dbraw/zinc/66/94/37/915669437.db2.gz ARCKGYAJKVYMTH-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001401754837 916567393 /nfs/dbraw/zinc/56/73/93/916567393.db2.gz TVNMVJZJALEIHY-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001401754837 916567404 /nfs/dbraw/zinc/56/74/04/916567404.db2.gz TVNMVJZJALEIHY-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001331406906 917311039 /nfs/dbraw/zinc/31/10/39/917311039.db2.gz PELCBUHLUXMBQH-IUCAKERBSA-N 1 2 265.317 0.474 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCCC1=O ZINC001403099121 917477601 /nfs/dbraw/zinc/47/76/01/917477601.db2.gz PIEVDZRRQDVEPI-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CN1CCCC1=O ZINC001403099121 917477604 /nfs/dbraw/zinc/47/76/04/917477604.db2.gz PIEVDZRRQDVEPI-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2nc[nH]n2)C1 ZINC001332031897 917813414 /nfs/dbraw/zinc/81/34/14/917813414.db2.gz GQBZKMNRBWYZII-LLVKDONJSA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2nc[nH]n2)C1 ZINC001332031897 917813431 /nfs/dbraw/zinc/81/34/31/917813431.db2.gz GQBZKMNRBWYZII-LLVKDONJSA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC001332031897 917813442 /nfs/dbraw/zinc/81/34/42/917813442.db2.gz GQBZKMNRBWYZII-LLVKDONJSA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC001332031897 917813455 /nfs/dbraw/zinc/81/34/55/917813455.db2.gz GQBZKMNRBWYZII-LLVKDONJSA-N 1 2 276.344 0.044 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001332242409 917988086 /nfs/dbraw/zinc/98/80/86/917988086.db2.gz VHFFNQQZBNIGQK-PMKSJIGOSA-N 1 2 274.364 0.624 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001332242409 917988097 /nfs/dbraw/zinc/98/80/97/917988097.db2.gz VHFFNQQZBNIGQK-PMKSJIGOSA-N 1 2 274.364 0.624 20 30 CCEDLO COc1cc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)sn1 ZINC001404868962 918499916 /nfs/dbraw/zinc/49/99/16/918499916.db2.gz DKNCRZIRMDZPKP-VIFPVBQESA-N 1 2 294.380 0.859 20 30 CCEDLO C#CCN(C(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC001333301822 918783744 /nfs/dbraw/zinc/78/37/44/918783744.db2.gz YKYHEZYLJXXYOE-UHFFFAOYSA-N 1 2 298.346 0.821 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NCC1=CCN(CC#N)CC1 ZINC001333380048 918851150 /nfs/dbraw/zinc/85/11/50/918851150.db2.gz ZSXWPUPJGSDVKP-UHFFFAOYSA-N 1 2 287.367 0.625 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001406342690 919198763 /nfs/dbraw/zinc/19/87/63/919198763.db2.gz NDBVTGXHAZEXND-CKYFFXLPSA-N 1 2 289.339 0.075 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCCC#N ZINC001333980439 919293828 /nfs/dbraw/zinc/29/38/28/919293828.db2.gz SESKEKNNVAMPLS-JTQLQIEISA-N 1 2 250.302 0.654 20 30 CCEDLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001406924048 919539386 /nfs/dbraw/zinc/53/93/86/919539386.db2.gz NYPSVYJFBGJFJF-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC001407041961 919585693 /nfs/dbraw/zinc/58/56/93/919585693.db2.gz UQDLUHRIPAARGH-NSHDSACASA-N 1 2 275.356 0.265 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C(C)C)[nH]1 ZINC001334918210 919836070 /nfs/dbraw/zinc/83/60/70/919836070.db2.gz KWEKDUSULLDEMI-NSHDSACASA-N 1 2 275.356 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C(C)C)[nH]1 ZINC001334918210 919836084 /nfs/dbraw/zinc/83/60/84/919836084.db2.gz KWEKDUSULLDEMI-NSHDSACASA-N 1 2 275.356 0.642 20 30 CCEDLO N#C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC001335137359 919976350 /nfs/dbraw/zinc/97/63/50/919976350.db2.gz ZAXJUXSOYBTESG-GXFFZTMASA-N 1 2 276.365 0.961 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001335819883 920456915 /nfs/dbraw/zinc/45/69/15/920456915.db2.gz WNDPFDFOBRGHBN-UHFFFAOYSA-N 1 2 278.312 0.603 20 30 CCEDLO CCCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H](C)C#N ZINC001415823415 920837677 /nfs/dbraw/zinc/83/76/77/920837677.db2.gz AXPYGYHCEGGHMD-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339776790 921825431 /nfs/dbraw/zinc/82/54/31/921825431.db2.gz ALXCMQBWYBZTRU-CHWSQXEVSA-N 1 2 287.367 0.108 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339776790 921825437 /nfs/dbraw/zinc/82/54/37/921825437.db2.gz ALXCMQBWYBZTRU-CHWSQXEVSA-N 1 2 287.367 0.108 20 30 CCEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001340732353 922187006 /nfs/dbraw/zinc/18/70/06/922187006.db2.gz FGLPJTDNZLHFGK-UHFFFAOYSA-N 1 2 270.340 0.858 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001419131115 922652564 /nfs/dbraw/zinc/65/25/64/922652564.db2.gz WGBIHFSQAGGDEC-CMPLNLGQSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 ZINC001419131115 922652571 /nfs/dbraw/zinc/65/25/71/922652571.db2.gz WGBIHFSQAGGDEC-CMPLNLGQSA-N 1 2 287.791 0.796 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1nncs1 ZINC001419723346 923039290 /nfs/dbraw/zinc/03/92/90/923039290.db2.gz AZQJVESQJNQBRS-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001342868717 923118330 /nfs/dbraw/zinc/11/83/30/923118330.db2.gz BWCJIBHUSUAAEU-CHWSQXEVSA-N 1 2 291.399 0.713 20 30 CCEDLO C#C[C@@H](C)N(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001342868717 923118339 /nfs/dbraw/zinc/11/83/39/923118339.db2.gz BWCJIBHUSUAAEU-CHWSQXEVSA-N 1 2 291.399 0.713 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001346199043 924106128 /nfs/dbraw/zinc/10/61/28/924106128.db2.gz LIQLMFRXOVWINB-CHWSQXEVSA-N 1 2 295.383 0.721 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001346199043 924106135 /nfs/dbraw/zinc/10/61/35/924106135.db2.gz LIQLMFRXOVWINB-CHWSQXEVSA-N 1 2 295.383 0.721 20 30 CCEDLO CCn1cc(CC[NH+]2CC(N(C)C(=O)[C@@H](C)C#N)C2)cn1 ZINC001421049463 924115925 /nfs/dbraw/zinc/11/59/25/924115925.db2.gz HGMDCUOYTWJUCI-LBPRGKRZSA-N 1 2 289.383 0.748 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2nccs2)CC1 ZINC001347059616 924362213 /nfs/dbraw/zinc/36/22/13/924362213.db2.gz HSAWZJXKHAVVMI-ONEGZZNKSA-N 1 2 261.350 0.934 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001348619685 924754959 /nfs/dbraw/zinc/75/49/59/924754959.db2.gz ZHYCCKXWJHWIBJ-LBPRGKRZSA-N 1 2 264.329 0.907 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001349878706 925082937 /nfs/dbraw/zinc/08/29/37/925082937.db2.gz FQFKCRFKAPKGLI-CHWSQXEVSA-N 1 2 268.405 0.886 20 30 CCEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@@H]3CC[C@@H]3C2=O)CC1 ZINC001349918352 925096731 /nfs/dbraw/zinc/09/67/31/925096731.db2.gz HHPKXBAEMXQQHW-PHIMTYICSA-N 1 2 261.325 0.965 20 30 CCEDLO C=C1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001351132279 925366638 /nfs/dbraw/zinc/36/66/38/925366638.db2.gz IJWHFRWQGIPUPX-NEPJUHHUSA-N 1 2 277.372 0.709 20 30 CCEDLO C=C1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001351132279 925366646 /nfs/dbraw/zinc/36/66/46/925366646.db2.gz IJWHFRWQGIPUPX-NEPJUHHUSA-N 1 2 277.372 0.709 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001480109650 925507446 /nfs/dbraw/zinc/50/74/46/925507446.db2.gz KPWKQEZUSRMKOC-LBPRGKRZSA-N 1 2 292.339 0.108 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC(F)(F)F)CC1 ZINC001300685045 926149516 /nfs/dbraw/zinc/14/95/16/926149516.db2.gz FABBJGWVCUNQHJ-UHFFFAOYSA-N 1 2 287.289 0.904 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001355920724 926326429 /nfs/dbraw/zinc/32/64/29/926326429.db2.gz WQCGOUJGUKHRMQ-NEPJUHHUSA-N 1 2 277.372 0.824 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001355920724 926326440 /nfs/dbraw/zinc/32/64/40/926326440.db2.gz WQCGOUJGUKHRMQ-NEPJUHHUSA-N 1 2 277.372 0.824 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CO)n2CC)CC1 ZINC001356348210 926371431 /nfs/dbraw/zinc/37/14/31/926371431.db2.gz FGHQJOJXBREJKU-GFCCVEGCSA-N 1 2 277.372 0.149 20 30 CCEDLO Cc1[nH]nc(NC(=O)C[NH+]2CCC(CO)CC2)c1C#N ZINC001362668962 928331841 /nfs/dbraw/zinc/33/18/41/928331841.db2.gz AQIZAEZRCDEPQT-UHFFFAOYSA-N 1 2 277.328 0.233 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001362804895 928513982 /nfs/dbraw/zinc/51/39/82/928513982.db2.gz OBCRYKNCVJPAFS-TZMCWYRMSA-N 1 2 285.351 0.323 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001428786828 929317986 /nfs/dbraw/zinc/31/79/86/929317986.db2.gz LKZNFRNMIMNKRC-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001428786828 929317999 /nfs/dbraw/zinc/31/79/99/929317999.db2.gz LKZNFRNMIMNKRC-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001443834973 929716362 /nfs/dbraw/zinc/71/63/62/929716362.db2.gz BEZUVMKXOSDGAF-NSHDSACASA-N 1 2 298.778 0.348 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001443834973 929716370 /nfs/dbraw/zinc/71/63/70/929716370.db2.gz BEZUVMKXOSDGAF-NSHDSACASA-N 1 2 298.778 0.348 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(C)=O ZINC001372495759 929857336 /nfs/dbraw/zinc/85/73/36/929857336.db2.gz XBBLMGVDKXHGMW-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(C)=O ZINC001372495759 929857340 /nfs/dbraw/zinc/85/73/40/929857340.db2.gz XBBLMGVDKXHGMW-ZYHUDNBSSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001373393752 930172334 /nfs/dbraw/zinc/17/23/34/930172334.db2.gz TVMUKQMXKURJOG-RYUDHWBXSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001373393752 930172336 /nfs/dbraw/zinc/17/23/36/930172336.db2.gz TVMUKQMXKURJOG-RYUDHWBXSA-N 1 2 275.356 0.660 20 30 CCEDLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001446167526 930357948 /nfs/dbraw/zinc/35/79/48/930357948.db2.gz SNELTISCKIZZGA-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO CC(C)OCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001447401046 930625136 /nfs/dbraw/zinc/62/51/36/930625136.db2.gz RJMLIPVNGVUORJ-QWHCGFSZSA-N 1 2 295.383 0.531 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448068692 930803952 /nfs/dbraw/zinc/80/39/52/930803952.db2.gz RNSVOKJCJIWNNB-ZJUUUORDSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448068692 930803956 /nfs/dbraw/zinc/80/39/56/930803956.db2.gz RNSVOKJCJIWNNB-ZJUUUORDSA-N 1 2 288.779 0.199 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116093 931053255 /nfs/dbraw/zinc/05/32/55/931053255.db2.gz NNSULDGZEGHHTJ-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001376116093 931053266 /nfs/dbraw/zinc/05/32/66/931053266.db2.gz NNSULDGZEGHHTJ-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001376143256 931066148 /nfs/dbraw/zinc/06/61/48/931066148.db2.gz ZRROKLZWAGENTH-WCBMZHEXSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001376143256 931066153 /nfs/dbraw/zinc/06/61/53/931066153.db2.gz ZRROKLZWAGENTH-WCBMZHEXSA-N 1 2 273.764 0.441 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001376564148 931182504 /nfs/dbraw/zinc/18/25/04/931182504.db2.gz CPIDYNDUHVAGDI-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001376564148 931182507 /nfs/dbraw/zinc/18/25/07/931182507.db2.gz CPIDYNDUHVAGDI-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO Cc1cnc(C[N@H+](C)CCNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001377146248 931405672 /nfs/dbraw/zinc/40/56/72/931405672.db2.gz ZGDNKIOLJBIUFO-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO Cc1cnc(C[N@@H+](C)CCNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001377146248 931405677 /nfs/dbraw/zinc/40/56/77/931405677.db2.gz ZGDNKIOLJBIUFO-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641719 361769268 /nfs/dbraw/zinc/76/92/68/361769268.db2.gz KKPGCVZBJQFCOD-GFCCVEGCSA-N 1 2 271.336 0.809 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000599641719 361769272 /nfs/dbraw/zinc/76/92/72/361769272.db2.gz KKPGCVZBJQFCOD-GFCCVEGCSA-N 1 2 271.336 0.809 20 30 CCEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652578 361773042 /nfs/dbraw/zinc/77/30/42/361773042.db2.gz OLGLELMLCNNPOS-OTSSQURYSA-N 1 2 250.327 0.710 20 30 CCEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652578 361773049 /nfs/dbraw/zinc/77/30/49/361773049.db2.gz OLGLELMLCNNPOS-OTSSQURYSA-N 1 2 250.327 0.710 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666499 361779763 /nfs/dbraw/zinc/77/97/63/361779763.db2.gz XLKJWIMNASQPHV-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666499 361779765 /nfs/dbraw/zinc/77/97/65/361779765.db2.gz XLKJWIMNASQPHV-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC(=O)N1C ZINC000337545601 214148541 /nfs/dbraw/zinc/14/85/41/214148541.db2.gz NYGHBMMJDYZKAW-LLVKDONJSA-N 1 2 283.335 0.868 20 30 CCEDLO COC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694839 361791389 /nfs/dbraw/zinc/79/13/89/361791389.db2.gz WMNGYTHWLNIBJP-JSGCOSHPSA-N 1 2 283.372 0.484 20 30 CCEDLO COC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000599694839 361791394 /nfs/dbraw/zinc/79/13/94/361791394.db2.gz WMNGYTHWLNIBJP-JSGCOSHPSA-N 1 2 283.372 0.484 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)C1 ZINC000083172393 178348972 /nfs/dbraw/zinc/34/89/72/178348972.db2.gz KAAMLSRKLQNPQY-QWHCGFSZSA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)C1 ZINC000083172393 178348973 /nfs/dbraw/zinc/34/89/73/178348973.db2.gz KAAMLSRKLQNPQY-QWHCGFSZSA-N 1 2 260.293 0.839 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231331 361898187 /nfs/dbraw/zinc/89/81/87/361898187.db2.gz FBSXZIRBLUUBSD-IUODEOHRSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231331 361898191 /nfs/dbraw/zinc/89/81/91/361898191.db2.gz FBSXZIRBLUUBSD-IUODEOHRSA-N 1 2 295.383 0.268 20 30 CCEDLO C=CCOCC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000600501403 361995438 /nfs/dbraw/zinc/99/54/38/361995438.db2.gz WORJJQFCRBBKLD-UHFFFAOYSA-N 1 2 292.383 0.750 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(CCC#N)CC1 ZINC000600891234 362090012 /nfs/dbraw/zinc/09/00/12/362090012.db2.gz VPTRSPLTRRFPSU-CYBMUJFWSA-N 1 2 290.371 0.512 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000617720252 365724761 /nfs/dbraw/zinc/72/47/61/365724761.db2.gz AJKMXULAXHPFNI-NEPJUHHUSA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000617720252 365724766 /nfs/dbraw/zinc/72/47/66/365724766.db2.gz AJKMXULAXHPFNI-NEPJUHHUSA-N 1 2 293.371 0.303 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(C#N)cc2F)C1 ZINC000413101317 529784174 /nfs/dbraw/zinc/78/41/74/529784174.db2.gz IMUPPDRCUHTMDW-JTQLQIEISA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc(C#N)cc2F)C1 ZINC000413101317 529784175 /nfs/dbraw/zinc/78/41/75/529784175.db2.gz IMUPPDRCUHTMDW-JTQLQIEISA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(O)c3)C[C@H]21 ZINC000329991076 529784899 /nfs/dbraw/zinc/78/48/99/529784899.db2.gz WPZLVOJDJLXROV-ZIAGYGMSSA-N 1 2 291.351 0.821 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(O)c3)C[C@H]21 ZINC000329991076 529784900 /nfs/dbraw/zinc/78/49/00/529784900.db2.gz WPZLVOJDJLXROV-ZIAGYGMSSA-N 1 2 291.351 0.821 20 30 CCEDLO CC(C)(CC#N)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000601378045 362250188 /nfs/dbraw/zinc/25/01/88/362250188.db2.gz NSGLKPPIMGVCMU-UHFFFAOYSA-N 1 2 256.331 0.769 20 30 CCEDLO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330283927 529819630 /nfs/dbraw/zinc/81/96/30/529819630.db2.gz WTXQYDPXGXKVAX-NSHDSACASA-N 1 2 289.401 0.319 20 30 CCEDLO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330283927 529819632 /nfs/dbraw/zinc/81/96/32/529819632.db2.gz WTXQYDPXGXKVAX-NSHDSACASA-N 1 2 289.401 0.319 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(CCC#N)CC1 ZINC000601573479 362314148 /nfs/dbraw/zinc/31/41/48/362314148.db2.gz CNGLUPFWOZSOCG-UHFFFAOYSA-N 1 2 276.344 0.161 20 30 CCEDLO Cc1[nH+]cc2n1C[C@H](C(=O)N=c1[nH][nH]cc1C#N)CC2 ZINC000601638327 362336045 /nfs/dbraw/zinc/33/60/45/362336045.db2.gz HAJAPWBWAKZPJL-SECBINFHSA-N 1 2 270.296 0.409 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)C3)n2c1 ZINC000160493202 290730970 /nfs/dbraw/zinc/73/09/70/290730970.db2.gz GVKLLAUAWLGRAR-UHFFFAOYSA-N 1 2 255.281 0.138 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C#N)CO)cc1 ZINC000602158209 362533496 /nfs/dbraw/zinc/53/34/96/362533496.db2.gz KZVUXNQYCUHBMU-JSGCOSHPSA-N 1 2 289.335 0.270 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C#N)CO)cc1 ZINC000602158209 362533503 /nfs/dbraw/zinc/53/35/03/362533503.db2.gz KZVUXNQYCUHBMU-JSGCOSHPSA-N 1 2 289.335 0.270 20 30 CCEDLO C[C@@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)[C@@H](C)O1 ZINC000602336771 362590149 /nfs/dbraw/zinc/59/01/49/362590149.db2.gz ZYBJLNSXZHQZQI-HNCHTBHHSA-N 1 2 253.346 0.760 20 30 CCEDLO CO[C@@]1(C[N@H+](CCC#N)CCN2CCOCC2)CCOC1 ZINC000602423084 362609809 /nfs/dbraw/zinc/60/98/09/362609809.db2.gz CKZHHOPYJXUWBZ-OAHLLOKOSA-N 1 2 297.399 0.340 20 30 CCEDLO CO[C@@]1(C[N@@H+](CCC#N)CCN2CCOCC2)CCOC1 ZINC000602423084 362609815 /nfs/dbraw/zinc/60/98/15/362609815.db2.gz CKZHHOPYJXUWBZ-OAHLLOKOSA-N 1 2 297.399 0.340 20 30 CCEDLO CO[C@@]1(CN(CCC#N)CC[NH+]2CCOCC2)CCOC1 ZINC000602423084 362609821 /nfs/dbraw/zinc/60/98/21/362609821.db2.gz CKZHHOPYJXUWBZ-OAHLLOKOSA-N 1 2 297.399 0.340 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602370434 362599304 /nfs/dbraw/zinc/59/93/04/362599304.db2.gz DOBGRLDCYVMSCV-QWRGUYRKSA-N 1 2 254.334 0.118 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602370434 362599306 /nfs/dbraw/zinc/59/93/06/362599306.db2.gz DOBGRLDCYVMSCV-QWRGUYRKSA-N 1 2 254.334 0.118 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602472143 362635612 /nfs/dbraw/zinc/63/56/12/362635612.db2.gz HLVSFQWESKIZIT-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602472143 362635615 /nfs/dbraw/zinc/63/56/15/362635615.db2.gz HLVSFQWESKIZIT-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CC(C)(C#N)C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000602615068 362714324 /nfs/dbraw/zinc/71/43/24/362714324.db2.gz QATVSGGCYWOBQN-NSHDSACASA-N 1 2 263.345 0.954 20 30 CCEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)on1 ZINC000602697354 362757076 /nfs/dbraw/zinc/75/70/76/362757076.db2.gz OQSLQTQHHYPHKO-CYBMUJFWSA-N 1 2 279.296 0.702 20 30 CCEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)on1 ZINC000602697354 362757078 /nfs/dbraw/zinc/75/70/78/362757078.db2.gz OQSLQTQHHYPHKO-CYBMUJFWSA-N 1 2 279.296 0.702 20 30 CCEDLO COC(=O)CNC(=O)C[NH2+]Cc1cccc(F)c1C#N ZINC000602751502 362784154 /nfs/dbraw/zinc/78/41/54/362784154.db2.gz USHDSJWLRXZMDL-UHFFFAOYSA-N 1 2 279.271 0.076 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602760711 362787690 /nfs/dbraw/zinc/78/76/90/362787690.db2.gz ZYEHXAGFSQNEJU-ZDUSSCGKSA-N 1 2 290.411 0.965 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602760711 362787692 /nfs/dbraw/zinc/78/76/92/362787692.db2.gz ZYEHXAGFSQNEJU-ZDUSSCGKSA-N 1 2 290.411 0.965 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000602861804 362847200 /nfs/dbraw/zinc/84/72/00/362847200.db2.gz JJJFIDTTZDBGNC-WCQYABFASA-N 1 2 273.336 0.998 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000342869513 137101692 /nfs/dbraw/zinc/10/16/92/137101692.db2.gz ZICHMCJRLDVNBJ-GFCCVEGCSA-N 1 2 287.323 0.239 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000342869513 137101693 /nfs/dbraw/zinc/10/16/93/137101693.db2.gz ZICHMCJRLDVNBJ-GFCCVEGCSA-N 1 2 287.323 0.239 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000008309505 348011913 /nfs/dbraw/zinc/01/19/13/348011913.db2.gz NNDNFFQOUKWCDP-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000008309505 348011915 /nfs/dbraw/zinc/01/19/15/348011915.db2.gz NNDNFFQOUKWCDP-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO CC(=O)N1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000011419733 348017326 /nfs/dbraw/zinc/01/73/26/348017326.db2.gz ADGNMQHOFPPSNF-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000011419733 348017327 /nfs/dbraw/zinc/01/73/27/348017327.db2.gz ADGNMQHOFPPSNF-OAHLLOKOSA-N 1 2 292.383 0.349 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 ZINC000029436550 348112542 /nfs/dbraw/zinc/11/25/42/348112542.db2.gz JMESEPJLEVUIFO-ZDUSSCGKSA-N 1 2 292.383 0.161 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000602895791 362871440 /nfs/dbraw/zinc/87/14/40/362871440.db2.gz FCJCOXLWLXIKTA-HIFRSBDPSA-N 1 2 292.335 0.603 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000602895791 362871447 /nfs/dbraw/zinc/87/14/47/362871447.db2.gz FCJCOXLWLXIKTA-HIFRSBDPSA-N 1 2 292.335 0.603 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449467 348280746 /nfs/dbraw/zinc/28/07/46/348280746.db2.gz AAVVRVAHKUFHEZ-VHSXEESVSA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449467 348280749 /nfs/dbraw/zinc/28/07/49/348280749.db2.gz AAVVRVAHKUFHEZ-VHSXEESVSA-N 1 2 254.334 0.702 20 30 CCEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2(C#N)CC2)cn1 ZINC000602939215 362899159 /nfs/dbraw/zinc/89/91/59/362899159.db2.gz AQNOPPFIIQIVRA-CYBMUJFWSA-N 1 2 287.367 0.918 20 30 CCEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC2(C#N)CC2)cn1 ZINC000602939215 362899163 /nfs/dbraw/zinc/89/91/63/362899163.db2.gz AQNOPPFIIQIVRA-CYBMUJFWSA-N 1 2 287.367 0.918 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000602947045 362903520 /nfs/dbraw/zinc/90/35/20/362903520.db2.gz WJRIJSHZAIEYTE-YPMHNXCESA-N 1 2 255.314 0.289 20 30 CCEDLO COCC#CC[N@H+]1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000602947045 362903522 /nfs/dbraw/zinc/90/35/22/362903522.db2.gz WJRIJSHZAIEYTE-YPMHNXCESA-N 1 2 255.314 0.289 20 30 CCEDLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC000602973933 362916806 /nfs/dbraw/zinc/91/68/06/362916806.db2.gz HWOKKJFKTNHNNN-FRRDWIJNSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC000602973933 362916812 /nfs/dbraw/zinc/91/68/12/362916812.db2.gz HWOKKJFKTNHNNN-FRRDWIJNSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@@H]1C#N ZINC000602980109 362920641 /nfs/dbraw/zinc/92/06/41/362920641.db2.gz LXMLBCOPTNFGDI-NEPJUHHUSA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@@H]1C#N ZINC000602980109 362920649 /nfs/dbraw/zinc/92/06/49/362920649.db2.gz LXMLBCOPTNFGDI-NEPJUHHUSA-N 1 2 271.386 0.646 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCCC)CC(N)=O ZINC000048047941 348397673 /nfs/dbraw/zinc/39/76/73/348397673.db2.gz KVSFYZRNYVSDBP-UHFFFAOYSA-N 1 2 267.373 0.774 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCCC)CC(N)=O ZINC000048047941 348397675 /nfs/dbraw/zinc/39/76/75/348397675.db2.gz KVSFYZRNYVSDBP-UHFFFAOYSA-N 1 2 267.373 0.774 20 30 CCEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(N)=O)CC1 ZINC000050068294 348466040 /nfs/dbraw/zinc/46/60/40/348466040.db2.gz OKEMHLHLMXRENM-UHFFFAOYSA-N 1 2 288.351 0.040 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000051791267 348494875 /nfs/dbraw/zinc/49/48/75/348494875.db2.gz YUOWAVNWBRVUCY-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000051791267 348494877 /nfs/dbraw/zinc/49/48/77/348494877.db2.gz YUOWAVNWBRVUCY-AWEZNQCLSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000052662741 348512998 /nfs/dbraw/zinc/51/29/98/348512998.db2.gz HMVUWBLXHJHXLP-ZDUSSCGKSA-N 1 2 292.383 0.791 20 30 CCEDLO N#CCCC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000053430728 348529137 /nfs/dbraw/zinc/52/91/37/348529137.db2.gz QCEDJVKLMOEXOJ-UHFFFAOYSA-N 1 2 278.400 0.920 20 30 CCEDLO N#CCCCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000053430728 348529141 /nfs/dbraw/zinc/52/91/41/348529141.db2.gz QCEDJVKLMOEXOJ-UHFFFAOYSA-N 1 2 278.400 0.920 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054867724 348565435 /nfs/dbraw/zinc/56/54/35/348565435.db2.gz NHWBYYSQUAJGLW-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054867724 348565436 /nfs/dbraw/zinc/56/54/36/348565436.db2.gz NHWBYYSQUAJGLW-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO C[C@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855750 348648323 /nfs/dbraw/zinc/64/83/23/348648323.db2.gz CFQRXWZTLIOHDE-QWHCGFSZSA-N 1 2 265.357 0.717 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065681712 348724653 /nfs/dbraw/zinc/72/46/53/348724653.db2.gz JYIRGROEBRWYGO-UHFFFAOYSA-N 1 2 290.367 0.158 20 30 CCEDLO N#Cc1cccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000063760232 348692112 /nfs/dbraw/zinc/69/21/12/348692112.db2.gz ONJJGXSUHSTRME-UHFFFAOYSA-N 1 2 286.335 0.191 20 30 CCEDLO N#Cc1cccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000063760232 348692116 /nfs/dbraw/zinc/69/21/16/348692116.db2.gz ONJJGXSUHSTRME-UHFFFAOYSA-N 1 2 286.335 0.191 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000064442905 348700139 /nfs/dbraw/zinc/70/01/39/348700139.db2.gz VYZFYJLWVDLTDH-UHFFFAOYSA-N 1 2 258.325 0.566 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635307 348703598 /nfs/dbraw/zinc/70/35/98/348703598.db2.gz KEQLJZVZQGRVKB-UHFFFAOYSA-N 1 2 267.251 0.882 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635307 348703599 /nfs/dbraw/zinc/70/35/99/348703599.db2.gz KEQLJZVZQGRVKB-UHFFFAOYSA-N 1 2 267.251 0.882 20 30 CCEDLO C[C@H](C#N)CN(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000066469916 348744031 /nfs/dbraw/zinc/74/40/31/348744031.db2.gz YRLUXBRVYRYONG-CYBMUJFWSA-N 1 2 296.415 0.305 20 30 CCEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1C(N)=O)C1(C#N)CCCCC1 ZINC000066560541 348747386 /nfs/dbraw/zinc/74/73/86/348747386.db2.gz WPPDHVGNOIGEMR-LBPRGKRZSA-N 1 2 292.383 0.621 20 30 CCEDLO CN(C(=O)C[N@H+]1CCC[C@H]1C(N)=O)C1(C#N)CCCCC1 ZINC000066560541 348747387 /nfs/dbraw/zinc/74/73/87/348747387.db2.gz WPPDHVGNOIGEMR-LBPRGKRZSA-N 1 2 292.383 0.621 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066560594 348748213 /nfs/dbraw/zinc/74/82/13/348748213.db2.gz OKOFLAGERHHTTF-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066560594 348748216 /nfs/dbraw/zinc/74/82/16/348748216.db2.gz OKOFLAGERHHTTF-NSHDSACASA-N 1 2 274.386 0.140 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159060 348874360 /nfs/dbraw/zinc/87/43/60/348874360.db2.gz TVUWDISXLUVKFF-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000070742403 348895836 /nfs/dbraw/zinc/89/58/36/348895836.db2.gz HWEALKWZYDVUJY-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000072701411 348928546 /nfs/dbraw/zinc/92/85/46/348928546.db2.gz MJQSJDLHPCBNGQ-SMDDNHRTSA-N 1 2 282.388 0.449 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000072701411 348928549 /nfs/dbraw/zinc/92/85/49/348928549.db2.gz MJQSJDLHPCBNGQ-SMDDNHRTSA-N 1 2 282.388 0.449 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000075659960 349045881 /nfs/dbraw/zinc/04/58/81/349045881.db2.gz DBRYGIXJQLSFIR-UHFFFAOYSA-N 1 2 274.390 0.103 20 30 CCEDLO C=CCNC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000081016869 349240264 /nfs/dbraw/zinc/24/02/64/349240264.db2.gz MDPMQTAEAFEMTE-UHFFFAOYSA-N 1 2 296.440 0.788 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1F ZINC000082271834 349295094 /nfs/dbraw/zinc/29/50/94/349295094.db2.gz HJDZCBYHAHXQEZ-UHFFFAOYSA-N 1 2 277.299 0.759 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1F ZINC000082271835 349295352 /nfs/dbraw/zinc/29/53/52/349295352.db2.gz PPVYFVWMJVPGAJ-UHFFFAOYSA-N 1 2 277.299 0.447 20 30 CCEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC1CC1 ZINC000081514601 349270416 /nfs/dbraw/zinc/27/04/16/349270416.db2.gz JMNMKXIBFHYDSR-CYBMUJFWSA-N 1 2 292.383 0.336 20 30 CCEDLO N#CCC[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC1CC1 ZINC000081514601 349270420 /nfs/dbraw/zinc/27/04/20/349270420.db2.gz JMNMKXIBFHYDSR-CYBMUJFWSA-N 1 2 292.383 0.336 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443541 349305384 /nfs/dbraw/zinc/30/53/84/349305384.db2.gz HPHOEYZZDJXJEQ-LLVKDONJSA-N 1 2 290.371 0.745 20 30 CCEDLO C[C@](O)(CNc1ncc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000413168643 233363537 /nfs/dbraw/zinc/36/35/37/233363537.db2.gz XDWPUEKADRVYJL-AWEZNQCLSA-N 1 2 294.330 0.587 20 30 CCEDLO CC(C)(CNc1cnc(C#N)cn1)[NH+]1CCOCC1 ZINC000106462389 186118444 /nfs/dbraw/zinc/11/84/44/186118444.db2.gz DJPKALLOTCMDRH-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000157257195 350642204 /nfs/dbraw/zinc/64/22/04/350642204.db2.gz ISNORGCGKXYMSO-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000157257195 350642205 /nfs/dbraw/zinc/64/22/05/350642205.db2.gz ISNORGCGKXYMSO-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000170365974 350845211 /nfs/dbraw/zinc/84/52/11/350845211.db2.gz YCQUKAGPHURGFN-UHFFFAOYSA-N 1 2 265.357 0.351 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000172359466 350979136 /nfs/dbraw/zinc/97/91/36/350979136.db2.gz JBUOJSGTETUNKU-UHFFFAOYSA-N 1 2 272.264 0.473 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172611805 350997768 /nfs/dbraw/zinc/99/77/68/350997768.db2.gz BGPYPALEVVYEMV-SNVBAGLBSA-N 1 2 259.313 0.682 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271433092 191135969 /nfs/dbraw/zinc/13/59/69/191135969.db2.gz AKBNFRSTFBKPSG-CYBMUJFWSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271433092 191135971 /nfs/dbraw/zinc/13/59/71/191135971.db2.gz AKBNFRSTFBKPSG-CYBMUJFWSA-N 1 2 291.376 0.840 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)c1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000193170933 351815113 /nfs/dbraw/zinc/81/51/13/351815113.db2.gz KXGKPWYUDYYGLC-NWDGAFQWSA-N 1 2 288.351 0.792 20 30 CCEDLO CO[C@@H]1C[NH+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1OC ZINC000234799725 352171108 /nfs/dbraw/zinc/17/11/08/352171108.db2.gz IGGCTHQIIFRTCH-ZIAGYGMSSA-N 1 2 289.335 0.842 20 30 CCEDLO CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603397021 363110009 /nfs/dbraw/zinc/11/00/09/363110009.db2.gz NVOKYZAWNDHCMJ-VXGBXAGGSA-N 1 2 282.369 0.837 20 30 CCEDLO N#Cc1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269527181 352837996 /nfs/dbraw/zinc/83/79/96/352837996.db2.gz XSIGHJRWFCUFDH-GFCCVEGCSA-N 1 2 287.323 0.878 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000270684891 352967188 /nfs/dbraw/zinc/96/71/88/352967188.db2.gz VATNUZANEPPZPI-GFCCVEGCSA-N 1 2 287.323 0.239 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000270684891 352967192 /nfs/dbraw/zinc/96/71/92/352967192.db2.gz VATNUZANEPPZPI-GFCCVEGCSA-N 1 2 287.323 0.239 20 30 CCEDLO Cc1cc(C#N)ccc1C(=O)NCC[NH+]1CCOCC1 ZINC000158897825 188399387 /nfs/dbraw/zinc/39/93/87/188399387.db2.gz GSRGLJFKFOSNOR-UHFFFAOYSA-N 1 2 273.336 0.929 20 30 CCEDLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287297285 353636970 /nfs/dbraw/zinc/63/69/70/353636970.db2.gz JKUXDVCUIRSNTC-JTQLQIEISA-N 1 2 299.352 0.150 20 30 CCEDLO CCC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290158852 353711370 /nfs/dbraw/zinc/71/13/70/353711370.db2.gz DBWSKCRTNSBHNI-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO CCC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290158852 353711372 /nfs/dbraw/zinc/71/13/72/353711372.db2.gz DBWSKCRTNSBHNI-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000294260109 353883245 /nfs/dbraw/zinc/88/32/45/353883245.db2.gz ONGPIKJFRJQLGB-NSHDSACASA-N 1 2 265.313 0.826 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC000299321505 354008598 /nfs/dbraw/zinc/00/85/98/354008598.db2.gz NEEYFYWJHNBXQD-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000308291395 354183621 /nfs/dbraw/zinc/18/36/21/354183621.db2.gz HHHZLHRIDKSMJE-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000308291395 354183627 /nfs/dbraw/zinc/18/36/27/354183627.db2.gz HHHZLHRIDKSMJE-NSHDSACASA-N 1 2 288.351 0.953 20 30 CCEDLO CO[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1OC ZINC000330178562 354303779 /nfs/dbraw/zinc/30/37/79/354303779.db2.gz LRPKUUHFKUSZLJ-UTUOFQBUSA-N 1 2 294.355 0.458 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCOCC1 ZINC000330285326 354317229 /nfs/dbraw/zinc/31/72/29/354317229.db2.gz YSOZZEUBJANVJG-LLVKDONJSA-N 1 2 264.329 0.834 20 30 CCEDLO C=CC[N@H+](CCOC)CCS(=O)(=O)N(C)C ZINC000336658386 355130902 /nfs/dbraw/zinc/13/09/02/355130902.db2.gz MSZHXTFWYZQNDE-UHFFFAOYSA-N 1 2 250.364 0.012 20 30 CCEDLO C=CC[N@@H+](CCOC)CCS(=O)(=O)N(C)C ZINC000336658386 355130905 /nfs/dbraw/zinc/13/09/05/355130905.db2.gz MSZHXTFWYZQNDE-UHFFFAOYSA-N 1 2 250.364 0.012 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000342275337 355728578 /nfs/dbraw/zinc/72/85/78/355728578.db2.gz XFDGSUGVQISFOY-GFCCVEGCSA-N 1 2 290.367 0.911 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)NC1(C#N)CCC1 ZINC000346865775 355873790 /nfs/dbraw/zinc/87/37/90/355873790.db2.gz IYNJFOKMJDXSCX-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)NC1(C#N)CCC1 ZINC000346865775 355873795 /nfs/dbraw/zinc/87/37/95/355873795.db2.gz IYNJFOKMJDXSCX-UHFFFAOYSA-N 1 2 266.345 0.007 20 30 CCEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)NCC(F)F)C(N)=O)cc1 ZINC000360702532 138007205 /nfs/dbraw/zinc/00/72/05/138007205.db2.gz JSBLKEWFUSJHRQ-LBPRGKRZSA-N 1 2 296.277 0.056 20 30 CCEDLO Cc1ccc2[nH+]c(CNC(=O)Cn3cnc(C#N)n3)cn2c1 ZINC000361116297 138022626 /nfs/dbraw/zinc/02/26/26/138022626.db2.gz RGOWPZQTFDDQKL-UHFFFAOYSA-N 1 2 295.306 0.422 20 30 CCEDLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)n1cnc(C#N)n1 ZINC000362347453 138055290 /nfs/dbraw/zinc/05/52/90/138055290.db2.gz WAHIXVHPVMYTQG-JTQLQIEISA-N 1 2 285.311 0.334 20 30 CCEDLO Cc1cc(C[NH+]2CCN(CC(N)=O)CC2)ccc1C#N ZINC000362932211 138081000 /nfs/dbraw/zinc/08/10/00/138081000.db2.gz VKFJAWMWPBJUCA-UHFFFAOYSA-N 1 2 272.352 0.470 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134805 363473021 /nfs/dbraw/zinc/47/30/21/363473021.db2.gz ZMTKXGUQEDTBLH-GFCCVEGCSA-N 1 2 297.384 0.610 20 30 CCEDLO C[C@](O)(C[NH+]1CCN(CCC#N)CC1)C(F)(F)F ZINC000619621078 366302858 /nfs/dbraw/zinc/30/28/58/366302858.db2.gz VKNWPHCFIZIUMG-JTQLQIEISA-N 1 2 265.279 0.831 20 30 CCEDLO COC(=O)c1cn(C2C[NH+](Cc3ccc(C#N)cc3)C2)nn1 ZINC000355061645 356563817 /nfs/dbraw/zinc/56/38/17/356563817.db2.gz VTZBZHJIFITTTQ-UHFFFAOYSA-N 1 2 297.318 0.993 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486104 363499231 /nfs/dbraw/zinc/49/92/31/363499231.db2.gz CYGFKSAYEJVWOY-CYBMUJFWSA-N 1 2 266.389 0.677 20 30 CCEDLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)CC#N)C2=O)n(C)n1 ZINC000610342889 363551801 /nfs/dbraw/zinc/55/18/01/363551801.db2.gz FMQZTMDMQOQMDB-ONGXEEELSA-N 1 2 261.329 0.726 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)nc1 ZINC000359922227 356919829 /nfs/dbraw/zinc/91/98/29/356919829.db2.gz RYCDLWAVMJEGEF-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCCCCn2cc[nH+]c2)[nH]1 ZINC000610564147 363578967 /nfs/dbraw/zinc/57/89/67/363578967.db2.gz DWRNOUICZOCAAY-UHFFFAOYSA-N 1 2 287.327 0.512 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382633935 357714142 /nfs/dbraw/zinc/71/41/42/357714142.db2.gz MGUDATOEOLVRTC-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452088630 236218358 /nfs/dbraw/zinc/21/83/58/236218358.db2.gz RXJJHQOBVGASAO-ZDUSSCGKSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452088630 236218361 /nfs/dbraw/zinc/21/83/61/236218361.db2.gz RXJJHQOBVGASAO-ZDUSSCGKSA-N 1 2 289.335 0.513 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000491202267 358292453 /nfs/dbraw/zinc/29/24/53/358292453.db2.gz NFLFJYJPXVQEBI-LLVKDONJSA-N 1 2 294.355 0.738 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000491202267 358292455 /nfs/dbraw/zinc/29/24/55/358292455.db2.gz NFLFJYJPXVQEBI-LLVKDONJSA-N 1 2 294.355 0.738 20 30 CCEDLO C#C[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)C(C)(C)C ZINC000491622934 358295262 /nfs/dbraw/zinc/29/52/62/358295262.db2.gz FLXSPXYMAZLVMM-GFCCVEGCSA-N 1 2 281.400 0.607 20 30 CCEDLO C#C[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)C(C)(C)C ZINC000491622934 358295267 /nfs/dbraw/zinc/29/52/67/358295267.db2.gz FLXSPXYMAZLVMM-GFCCVEGCSA-N 1 2 281.400 0.607 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C(N)=O)O1 ZINC000562383717 291148906 /nfs/dbraw/zinc/14/89/06/291148906.db2.gz UKJVCKJRMNWBPE-SKDRFNHKSA-N 1 2 260.297 0.028 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C(N)=O)O1 ZINC000562383717 291148908 /nfs/dbraw/zinc/14/89/08/291148908.db2.gz UKJVCKJRMNWBPE-SKDRFNHKSA-N 1 2 260.297 0.028 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000610768552 363611410 /nfs/dbraw/zinc/61/14/10/363611410.db2.gz LDDFPWOQRAQVHH-LBPRGKRZSA-N 1 2 250.302 0.708 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000543805274 358548835 /nfs/dbraw/zinc/54/88/35/358548835.db2.gz JXTLNGKKVKWAKX-WDEREUQCSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000543805274 358548838 /nfs/dbraw/zinc/54/88/38/358548838.db2.gz JXTLNGKKVKWAKX-WDEREUQCSA-N 1 2 254.334 0.166 20 30 CCEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2cccnc2)C1 ZINC000573357280 358960045 /nfs/dbraw/zinc/96/00/45/358960045.db2.gz VNVDZURZFWZAHR-UHFFFAOYSA-N 1 2 260.297 0.371 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000571916198 358926734 /nfs/dbraw/zinc/92/67/34/358926734.db2.gz VUROVKYZULBBHO-DGCLKSJQSA-N 1 2 270.398 0.885 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000571916198 358926735 /nfs/dbraw/zinc/92/67/35/358926735.db2.gz VUROVKYZULBBHO-DGCLKSJQSA-N 1 2 270.398 0.885 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H]1CCCC(=O)N1 ZINC000574044337 359022810 /nfs/dbraw/zinc/02/28/10/359022810.db2.gz DQLFKRPLPDZHRK-MFKMUULPSA-N 1 2 266.345 0.005 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000574044333 359022827 /nfs/dbraw/zinc/02/28/27/359022827.db2.gz DQLFKRPLPDZHRK-GWCFXTLKSA-N 1 2 266.345 0.005 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC000610842357 363620874 /nfs/dbraw/zinc/62/08/74/363620874.db2.gz XQFOVNPZWZEIQR-CYBMUJFWSA-N 1 2 285.351 0.354 20 30 CCEDLO N#Cc1ncn(CC[NH2+]Cc2n[nH]c3ccccc32)n1 ZINC000586782678 359290801 /nfs/dbraw/zinc/29/08/01/359290801.db2.gz DRQRPBNMXFGNGQ-UHFFFAOYSA-N 1 2 267.296 0.816 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000586786091 359290992 /nfs/dbraw/zinc/29/09/92/359290992.db2.gz XITVJGZTOAPWAZ-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000588079044 359312090 /nfs/dbraw/zinc/31/20/90/359312090.db2.gz GSIHMNYRRYQBFH-UHFFFAOYSA-N 1 2 253.346 0.185 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(F)c1 ZINC000611035211 363652676 /nfs/dbraw/zinc/65/26/76/363652676.db2.gz CLQWEFUGTXSATN-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000588751199 359335401 /nfs/dbraw/zinc/33/54/01/359335401.db2.gz IBLDVJOXOKJGQI-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C[C@@H](NC(=O)c1cccc(C#N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000589392607 359379923 /nfs/dbraw/zinc/37/99/23/359379923.db2.gz WOMFGGNSKJQZAF-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO CC(C)(CNC(=O)CC1(C#N)CC1)[NH+]1CCOCC1 ZINC000590128548 359426942 /nfs/dbraw/zinc/42/69/42/359426942.db2.gz UDRNRDNDMBMJAK-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760316 359518836 /nfs/dbraw/zinc/51/88/36/359518836.db2.gz XHVYIBXOOLGHBB-NSHDSACASA-N 1 2 265.313 0.491 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760316 359518840 /nfs/dbraw/zinc/51/88/40/359518840.db2.gz XHVYIBXOOLGHBB-NSHDSACASA-N 1 2 265.313 0.491 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC12CC2 ZINC000591529026 359598361 /nfs/dbraw/zinc/59/83/61/359598361.db2.gz LWUYUNBHCZIOII-CYBMUJFWSA-N 1 2 277.368 0.861 20 30 CCEDLO CC1(C(N)=O)C[NH+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000563067116 291187208 /nfs/dbraw/zinc/18/72/08/291187208.db2.gz DJNNHWOKAGEERI-UHFFFAOYSA-N 1 2 272.308 0.304 20 30 CCEDLO COCC(=O)NC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000297479465 200205586 /nfs/dbraw/zinc/20/55/86/200205586.db2.gz UCERGEODVWJIRL-UHFFFAOYSA-N 1 2 259.309 0.505 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000592147542 359766399 /nfs/dbraw/zinc/76/63/99/359766399.db2.gz PYBYFSYAWSNJRO-CQSZACIVSA-N 1 2 285.307 0.982 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000592147542 359766400 /nfs/dbraw/zinc/76/64/00/359766400.db2.gz PYBYFSYAWSNJRO-CQSZACIVSA-N 1 2 285.307 0.982 20 30 CCEDLO CCCCOCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150985 359768928 /nfs/dbraw/zinc/76/89/28/359768928.db2.gz LOBAMVHCVQTBJI-AWEZNQCLSA-N 1 2 283.372 0.270 20 30 CCEDLO CCCCOCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150985 359768932 /nfs/dbraw/zinc/76/89/32/359768932.db2.gz LOBAMVHCVQTBJI-AWEZNQCLSA-N 1 2 283.372 0.270 20 30 CCEDLO N#CCCN1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000611173638 363670752 /nfs/dbraw/zinc/67/07/52/363670752.db2.gz DVVGBEZOMYJVLK-UHFFFAOYSA-N 1 2 264.373 0.576 20 30 CCEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297818203 200287248 /nfs/dbraw/zinc/28/72/48/200287248.db2.gz MWEQDTUCZGRAGI-UHFFFAOYSA-N 1 2 281.400 0.965 20 30 CCEDLO C#C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(C)C ZINC000298042566 200322691 /nfs/dbraw/zinc/32/26/91/200322691.db2.gz RVBIMLUCHZANCO-LBPRGKRZSA-N 1 2 294.399 0.235 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054585 360021671 /nfs/dbraw/zinc/02/16/71/360021671.db2.gz LCIFPYLDOFITHW-UHFFFAOYSA-N 1 2 279.237 0.993 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593078390 360028593 /nfs/dbraw/zinc/02/85/93/360028593.db2.gz YBUPLSYZTCLJFU-GFCCVEGCSA-N 1 2 264.329 0.718 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)n2c1 ZINC000593689907 360136309 /nfs/dbraw/zinc/13/63/09/360136309.db2.gz YWAJOCFGDIXNGB-HGFQGUBDSA-N 1 2 286.360 0.911 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)n2c1 ZINC000593689907 360136311 /nfs/dbraw/zinc/13/63/11/360136311.db2.gz YWAJOCFGDIXNGB-HGFQGUBDSA-N 1 2 286.360 0.911 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3C[C@@H]4C[C@H]3C[S@]4=O)n2c1 ZINC000593689907 360136314 /nfs/dbraw/zinc/13/63/14/360136314.db2.gz YWAJOCFGDIXNGB-HGFQGUBDSA-N 1 2 286.360 0.911 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000594009490 360234451 /nfs/dbraw/zinc/23/44/51/360234451.db2.gz WEVULCLOLQIGIL-OLZOCXBDSA-N 1 2 294.399 0.785 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)OCC)nn1 ZINC000594649645 360348900 /nfs/dbraw/zinc/34/89/00/360348900.db2.gz DIGPTWRPUDOPBN-JTQLQIEISA-N 1 2 250.302 0.515 20 30 CCEDLO COC(=O)[C@H]([NH3+])Cc1cn(CC2(C#N)CCCC2)nn1 ZINC000594657680 360356189 /nfs/dbraw/zinc/35/61/89/360356189.db2.gz DNZHQECBTTVMKO-LLVKDONJSA-N 1 2 277.328 0.405 20 30 CCEDLO Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2[nH+]1 ZINC000594996144 360430397 /nfs/dbraw/zinc/43/03/97/360430397.db2.gz XAZFQRCHEQGCMJ-SECBINFHSA-N 1 2 285.307 0.857 20 30 CCEDLO Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc2[nH+]1 ZINC000595007239 360431721 /nfs/dbraw/zinc/43/17/21/360431721.db2.gz KQXFIHCZUCZAHG-VIFPVBQESA-N 1 2 285.307 1.000 20 30 CCEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CNC(=O)C1 ZINC000595340299 360500228 /nfs/dbraw/zinc/50/02/28/360500228.db2.gz DYAPSEITUGRHTD-GFCCVEGCSA-N 1 2 258.325 0.933 20 30 CCEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CNC(=O)C1 ZINC000595340299 360500234 /nfs/dbraw/zinc/50/02/34/360500234.db2.gz DYAPSEITUGRHTD-GFCCVEGCSA-N 1 2 258.325 0.933 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382881 360514222 /nfs/dbraw/zinc/51/42/22/360514222.db2.gz KAGFIRQSJUSQAD-SNVBAGLBSA-N 1 2 285.373 0.551 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382917 360515038 /nfs/dbraw/zinc/51/50/38/360515038.db2.gz LAFWBOSQVZDRTD-MNOVXSKESA-N 1 2 299.400 0.797 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000595392407 360517516 /nfs/dbraw/zinc/51/75/16/360517516.db2.gz RWRMVCGSUGCDRJ-LBPRGKRZSA-N 1 2 250.346 0.138 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595398483 360518472 /nfs/dbraw/zinc/51/84/72/360518472.db2.gz QJIDKQQRHUADGK-CYBMUJFWSA-N 1 2 262.361 0.513 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595398483 360518479 /nfs/dbraw/zinc/51/84/79/360518479.db2.gz QJIDKQQRHUADGK-CYBMUJFWSA-N 1 2 262.361 0.513 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616263 360599146 /nfs/dbraw/zinc/59/91/46/360599146.db2.gz AHUZHHLMCAUTMT-NHYWBVRUSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616263 360599148 /nfs/dbraw/zinc/59/91/48/360599148.db2.gz AHUZHHLMCAUTMT-NHYWBVRUSA-N 1 2 295.383 0.888 20 30 CCEDLO COC(=O)Cn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595623981 360602095 /nfs/dbraw/zinc/60/20/95/360602095.db2.gz ZXGVCKDONJHHCL-LLVKDONJSA-N 1 2 277.328 0.577 20 30 CCEDLO COC(=O)Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595623981 360602099 /nfs/dbraw/zinc/60/20/99/360602099.db2.gz ZXGVCKDONJHHCL-LLVKDONJSA-N 1 2 277.328 0.577 20 30 CCEDLO CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595814102 360665486 /nfs/dbraw/zinc/66/54/86/360665486.db2.gz QPDOWJOIGJKUFS-VXGBXAGGSA-N 1 2 273.402 0.892 20 30 CCEDLO CC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595814102 360665488 /nfs/dbraw/zinc/66/54/88/360665488.db2.gz QPDOWJOIGJKUFS-VXGBXAGGSA-N 1 2 273.402 0.892 20 30 CCEDLO COC(=O)Cc1cc[nH+]c(NCCn2cnc(C#N)n2)c1 ZINC000596230276 360845267 /nfs/dbraw/zinc/84/52/67/360845267.db2.gz VOXZLSOGYWWTHZ-UHFFFAOYSA-N 1 2 286.295 0.372 20 30 CCEDLO CCc1nc(C#N)cc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000596210376 360836181 /nfs/dbraw/zinc/83/61/81/360836181.db2.gz HXWOIUUYXNHJBW-UHFFFAOYSA-N 1 2 287.367 0.609 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)ncn2)[C@@H](C)CO1 ZINC000596432706 360892862 /nfs/dbraw/zinc/89/28/62/360892862.db2.gz RXIZQAVRTCBEPX-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)ncn2)[C@@H](C)CO1 ZINC000596432706 360892864 /nfs/dbraw/zinc/89/28/64/360892864.db2.gz RXIZQAVRTCBEPX-QWRGUYRKSA-N 1 2 261.329 0.291 20 30 CCEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cn1 ZINC000563853025 291254456 /nfs/dbraw/zinc/25/44/56/291254456.db2.gz MCTOEXBGJGDACU-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cn1 ZINC000563853025 291254459 /nfs/dbraw/zinc/25/44/59/291254459.db2.gz MCTOEXBGJGDACU-UHFFFAOYSA-N 1 2 276.340 0.490 20 30 CCEDLO N#CCSCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708979 361205149 /nfs/dbraw/zinc/20/51/49/361205149.db2.gz DKGVKXKADLFNKY-LBPRGKRZSA-N 1 2 283.397 0.566 20 30 CCEDLO N#Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)[nH]1 ZINC000597706825 361203270 /nfs/dbraw/zinc/20/32/70/361203270.db2.gz JVBGMAUVRRXGFH-ZDUSSCGKSA-N 1 2 288.351 0.823 20 30 CCEDLO COCCN(CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000597754386 361235755 /nfs/dbraw/zinc/23/57/55/361235755.db2.gz BYQROLIXKYVXJO-NSHDSACASA-N 1 2 262.313 0.444 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000621280447 366701836 /nfs/dbraw/zinc/70/18/36/366701836.db2.gz XBXMBCNDLFSMQP-CHWSQXEVSA-N 1 2 280.368 0.967 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000621280447 366701841 /nfs/dbraw/zinc/70/18/41/366701841.db2.gz XBXMBCNDLFSMQP-CHWSQXEVSA-N 1 2 280.368 0.967 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@@H](C)CO1 ZINC000598001345 361307302 /nfs/dbraw/zinc/30/73/02/361307302.db2.gz ZKZRNORMLHNENR-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@@H](C)CO1 ZINC000598001345 361307309 /nfs/dbraw/zinc/30/73/09/361307309.db2.gz ZKZRNORMLHNENR-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000598001211 361307445 /nfs/dbraw/zinc/30/74/45/361307445.db2.gz XOLQSIWAENFHFQ-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000598001211 361307451 /nfs/dbraw/zinc/30/74/51/361307451.db2.gz XOLQSIWAENFHFQ-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000598613614 361459102 /nfs/dbraw/zinc/45/91/02/361459102.db2.gz AGOIOCIESNWZQH-UTLUCORTSA-N 1 2 257.309 0.185 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000598613614 361459105 /nfs/dbraw/zinc/45/91/05/361459105.db2.gz AGOIOCIESNWZQH-UTLUCORTSA-N 1 2 257.309 0.185 20 30 CCEDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598702598 361490972 /nfs/dbraw/zinc/49/09/72/361490972.db2.gz VXWFEQDLNWTPJJ-LLVKDONJSA-N 1 2 283.372 0.076 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccn1 ZINC000598948558 361537899 /nfs/dbraw/zinc/53/78/99/361537899.db2.gz RJNIXLDASQZSKI-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615532407 364994938 /nfs/dbraw/zinc/99/49/38/364994938.db2.gz AFSUNJYUJRJPNN-ZNMIVQPWSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616099869 365177845 /nfs/dbraw/zinc/17/78/45/365177845.db2.gz DVVZSSZIFJQLEO-GHMZBOCLSA-N 1 2 263.341 0.958 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616099869 365177852 /nfs/dbraw/zinc/17/78/52/365177852.db2.gz DVVZSSZIFJQLEO-GHMZBOCLSA-N 1 2 263.341 0.958 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000656183655 412759590 /nfs/dbraw/zinc/75/95/90/412759590.db2.gz JATMSLIXOBBSNZ-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000656183655 412759593 /nfs/dbraw/zinc/75/95/93/412759593.db2.gz JATMSLIXOBBSNZ-MCIONIFRSA-N 1 2 297.399 0.740 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625481018 368216392 /nfs/dbraw/zinc/21/63/92/368216392.db2.gz ZDTNUYKHJXYATP-LBPRGKRZSA-N 1 2 277.372 0.218 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000625729840 368306649 /nfs/dbraw/zinc/30/66/49/368306649.db2.gz MGQKDSJFFOBXMZ-GFCCVEGCSA-N 1 2 274.386 0.033 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006452 368394024 /nfs/dbraw/zinc/39/40/24/368394024.db2.gz YITUQOMYAKZCIT-NWDGAFQWSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CCF)C2)C1=O ZINC000626006452 368394025 /nfs/dbraw/zinc/39/40/25/368394025.db2.gz YITUQOMYAKZCIT-NWDGAFQWSA-N 1 2 256.321 0.834 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627977188 369153506 /nfs/dbraw/zinc/15/35/06/369153506.db2.gz JLLNTWPRFOQPTH-QWHCGFSZSA-N 1 2 275.352 0.644 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC2CC2)nn1 ZINC000630599864 370199324 /nfs/dbraw/zinc/19/93/24/370199324.db2.gz YVFLNVZRYIVGKJ-SNVBAGLBSA-N 1 2 261.329 0.231 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000630962195 370341619 /nfs/dbraw/zinc/34/16/19/370341619.db2.gz AZUBXNIGAHQBPM-GFCCVEGCSA-N 1 2 281.356 0.595 20 30 CCEDLO C=CCNC(=O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631197274 370417372 /nfs/dbraw/zinc/41/73/72/370417372.db2.gz YITQPPMLADMUBK-UHFFFAOYSA-N 1 2 271.324 0.971 20 30 CCEDLO C=CCN(C(=O)[C@@H]1COCC[N@H+]1CC)[C@H](C)COC ZINC000637401185 374135617 /nfs/dbraw/zinc/13/56/17/374135617.db2.gz AMGKQWSUNYIUTK-OLZOCXBDSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)[C@H](C)COC ZINC000637401185 374135626 /nfs/dbraw/zinc/13/56/26/374135626.db2.gz AMGKQWSUNYIUTK-OLZOCXBDSA-N 1 2 270.373 0.757 20 30 CCEDLO C=CCC1(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCCC1 ZINC000638419310 375017484 /nfs/dbraw/zinc/01/74/84/375017484.db2.gz GNDLDRUOKUACIQ-LBPRGKRZSA-N 1 2 279.384 0.812 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCc3nnc(NC)cc3C2)C1=O ZINC000685000619 545783294 /nfs/dbraw/zinc/78/32/94/545783294.db2.gz UPVFEPIKPMUTSI-ZDUSSCGKSA-N 1 2 287.367 0.663 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCc3nnc(NC)cc3C2)C1=O ZINC000685000619 545783301 /nfs/dbraw/zinc/78/33/01/545783301.db2.gz UPVFEPIKPMUTSI-ZDUSSCGKSA-N 1 2 287.367 0.663 20 30 CCEDLO C=CCN(CC=C)C(=O)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640792119 376543237 /nfs/dbraw/zinc/54/32/37/376543237.db2.gz PLQZHZKETLTXBU-CYBMUJFWSA-N 1 2 291.355 0.140 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCCCC)nn1 ZINC000640865379 376577711 /nfs/dbraw/zinc/57/77/11/376577711.db2.gz MTAUHYCGAYUEHB-UHFFFAOYSA-N 1 2 277.372 0.697 20 30 CCEDLO C=CCCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640936188 376627107 /nfs/dbraw/zinc/62/71/07/376627107.db2.gz QEGBTWDXVFMZDB-NSHDSACASA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(OCC)s2)nn1 ZINC000640993555 376653769 /nfs/dbraw/zinc/65/37/69/376653769.db2.gz AUSYTTYZCJBFSN-UHFFFAOYSA-N 1 2 292.368 0.690 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641084531 376755403 /nfs/dbraw/zinc/75/54/03/376755403.db2.gz MVIVXTFDPGAVPD-AWEZNQCLSA-N 1 2 280.372 0.998 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2noc(C)n2)nn1 ZINC000641163191 376830008 /nfs/dbraw/zinc/83/00/08/376830008.db2.gz WOCCFWYGUYTZCC-SECBINFHSA-N 1 2 260.301 0.692 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641212384 376889912 /nfs/dbraw/zinc/88/99/12/376889912.db2.gz KFYUMDFATYVBSD-CQSZACIVSA-N 1 2 280.372 0.480 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641212382 376890177 /nfs/dbraw/zinc/89/01/77/376890177.db2.gz KFYUMDFATYVBSD-AWEZNQCLSA-N 1 2 280.372 0.480 20 30 CCEDLO COC(=O)c1cccc(C[NH2+][C@@H]2COC[C@H]2OC)c1C#N ZINC000570512143 291761805 /nfs/dbraw/zinc/76/18/05/291761805.db2.gz CFDYHQLTXLBOJK-ZIAGYGMSSA-N 1 2 290.319 0.848 20 30 CCEDLO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000570716153 291777009 /nfs/dbraw/zinc/77/70/09/291777009.db2.gz AODJIJMYHZGBOT-YUMQZZPRSA-N 1 2 258.285 0.480 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185969432 285037607 /nfs/dbraw/zinc/03/76/07/285037607.db2.gz QBBVTASLBITANX-DOMZBBRYSA-N 1 2 294.399 0.724 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185969432 285037609 /nfs/dbraw/zinc/03/76/09/285037609.db2.gz QBBVTASLBITANX-DOMZBBRYSA-N 1 2 294.399 0.724 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)nn1 ZINC000657497709 413011425 /nfs/dbraw/zinc/01/14/25/413011425.db2.gz YRNQXAGGYSYFAK-LLVKDONJSA-N 1 2 277.328 0.091 20 30 CCEDLO N#Cc1nc(NC(=O)C2CC[NH+](C3CC3)CC2)[nH]c1C#N ZINC000282852780 388758382 /nfs/dbraw/zinc/75/83/82/388758382.db2.gz LSTWAMKJVBYREW-UHFFFAOYSA-N 1 2 284.323 0.966 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000284197149 388775032 /nfs/dbraw/zinc/77/50/32/388775032.db2.gz YPBVKJPIVMWHEM-ZDUSSCGKSA-N 1 2 295.383 0.024 20 30 CCEDLO C#CCC(CC#C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000289486787 388870223 /nfs/dbraw/zinc/87/02/23/388870223.db2.gz YEQVBWXLKFHCNP-HOCLYGCPSA-N 1 2 288.391 0.971 20 30 CCEDLO C=CCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000289699695 388882594 /nfs/dbraw/zinc/88/25/94/388882594.db2.gz IEVSXLZFXJQPOJ-UHFFFAOYSA-N 1 2 264.329 0.461 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289748862 388888597 /nfs/dbraw/zinc/88/85/97/388888597.db2.gz FHANSRLTNNHRJM-CMPLNLGQSA-N 1 2 280.759 0.921 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289748862 388888602 /nfs/dbraw/zinc/88/86/02/388888602.db2.gz FHANSRLTNNHRJM-CMPLNLGQSA-N 1 2 280.759 0.921 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000188707399 388938434 /nfs/dbraw/zinc/93/84/34/388938434.db2.gz UPZMBFVVLIXQNI-JSGCOSHPSA-N 1 2 251.374 0.705 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000292054199 388943852 /nfs/dbraw/zinc/94/38/52/388943852.db2.gz BLGAFBGQMFXDSS-NWDGAFQWSA-N 1 2 273.292 0.722 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000292054199 388943854 /nfs/dbraw/zinc/94/38/54/388943854.db2.gz BLGAFBGQMFXDSS-NWDGAFQWSA-N 1 2 273.292 0.722 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000066566738 388945545 /nfs/dbraw/zinc/94/55/45/388945545.db2.gz JCPDWOUCPCUQMW-LSDHHAIUSA-N 1 2 277.412 0.932 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000293151165 388979939 /nfs/dbraw/zinc/97/99/39/388979939.db2.gz OCFVIETUJAWHPI-DGCLKSJQSA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000293151165 388979940 /nfs/dbraw/zinc/97/99/40/388979940.db2.gz OCFVIETUJAWHPI-DGCLKSJQSA-N 1 2 268.357 0.645 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000293201084 388981287 /nfs/dbraw/zinc/98/12/87/388981287.db2.gz UQANHGFKTBQJRX-WDEREUQCSA-N 1 2 264.329 0.397 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000293201084 388981288 /nfs/dbraw/zinc/98/12/88/388981288.db2.gz UQANHGFKTBQJRX-WDEREUQCSA-N 1 2 264.329 0.397 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000192239073 389029253 /nfs/dbraw/zinc/02/92/53/389029253.db2.gz RPAQZMIVRVPBJB-SECBINFHSA-N 1 2 272.308 0.748 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000192239073 389029257 /nfs/dbraw/zinc/02/92/57/389029257.db2.gz RPAQZMIVRVPBJB-SECBINFHSA-N 1 2 272.308 0.748 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000192227226 389029461 /nfs/dbraw/zinc/02/94/61/389029461.db2.gz UJNISIVVOXKKKL-NSHDSACASA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000192227226 389029465 /nfs/dbraw/zinc/02/94/65/389029465.db2.gz UJNISIVVOXKKKL-NSHDSACASA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000192228691 389029540 /nfs/dbraw/zinc/02/95/40/389029540.db2.gz KTIMPVXRJZQTOY-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000192228691 389029547 /nfs/dbraw/zinc/02/95/47/389029547.db2.gz KTIMPVXRJZQTOY-JTQLQIEISA-N 1 2 295.364 0.226 20 30 CCEDLO C#CC[N@@H+](C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000192229230 389029625 /nfs/dbraw/zinc/02/96/25/389029625.db2.gz XSMQZHQFQWXBPG-AWEZNQCLSA-N 1 2 281.377 0.863 20 30 CCEDLO C#CC[N@H+](C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000192229230 389029630 /nfs/dbraw/zinc/02/96/30/389029630.db2.gz XSMQZHQFQWXBPG-AWEZNQCLSA-N 1 2 281.377 0.863 20 30 CCEDLO CC(C)[N@H+](CC(N)=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000298459145 389021302 /nfs/dbraw/zinc/02/13/02/389021302.db2.gz LFNXYNGVGKFSMC-UHFFFAOYSA-N 1 2 288.351 0.370 20 30 CCEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000298459145 389021307 /nfs/dbraw/zinc/02/13/07/389021307.db2.gz LFNXYNGVGKFSMC-UHFFFAOYSA-N 1 2 288.351 0.370 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735422 389032660 /nfs/dbraw/zinc/03/26/60/389032660.db2.gz OCBPPAPOQGSLHB-CQSZACIVSA-N 1 2 274.320 0.385 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735422 389032662 /nfs/dbraw/zinc/03/26/62/389032662.db2.gz OCBPPAPOQGSLHB-CQSZACIVSA-N 1 2 274.320 0.385 20 30 CCEDLO N#Cc1cc(N2CC[NH+](CC(N)=O)CC2)c2ccccc2n1 ZINC000301354094 389050905 /nfs/dbraw/zinc/05/09/05/389050905.db2.gz NTQQGUZWGZTDFI-UHFFFAOYSA-N 1 2 295.346 0.714 20 30 CCEDLO CS(=O)(=O)CC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301979599 389061168 /nfs/dbraw/zinc/06/11/68/389061168.db2.gz OYRIDMHXANEVEG-UHFFFAOYSA-N 1 2 293.392 0.725 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C#N ZINC000355420469 389075774 /nfs/dbraw/zinc/07/57/74/389075774.db2.gz FEEUVVIZMYOQCF-UHFFFAOYSA-N 1 2 291.355 0.132 20 30 CCEDLO Cn1ncc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C#N ZINC000355420469 389075778 /nfs/dbraw/zinc/07/57/78/389075778.db2.gz FEEUVVIZMYOQCF-UHFFFAOYSA-N 1 2 291.355 0.132 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304019004 389081839 /nfs/dbraw/zinc/08/18/39/389081839.db2.gz XMFDHJGDOSNILJ-APIJFGDWSA-N 1 2 283.416 0.938 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000304019004 389081840 /nfs/dbraw/zinc/08/18/40/389081840.db2.gz XMFDHJGDOSNILJ-APIJFGDWSA-N 1 2 283.416 0.938 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCCNC1=O ZINC000105610437 389086787 /nfs/dbraw/zinc/08/67/87/389086787.db2.gz GQWOHICKRCFXFN-DOMZBBRYSA-N 1 2 292.383 0.395 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCCNC1=O ZINC000105610437 389086791 /nfs/dbraw/zinc/08/67/91/389086791.db2.gz GQWOHICKRCFXFN-DOMZBBRYSA-N 1 2 292.383 0.395 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2nccnc2C#N)CC1 ZINC000105796579 389087615 /nfs/dbraw/zinc/08/76/15/389087615.db2.gz UPWPLBAPEPKZCF-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](C#N)C3)n2c1 ZINC000093135164 389035648 /nfs/dbraw/zinc/03/56/48/389035648.db2.gz BSZMBEYESMFLEZ-CYBMUJFWSA-N 1 2 267.292 0.930 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355132627 389043668 /nfs/dbraw/zinc/04/36/68/389043668.db2.gz LYKRIVMCJJCQQH-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)C1 ZINC000328890596 389143394 /nfs/dbraw/zinc/14/33/94/389143394.db2.gz RTKHLFVVUPKWKP-MGPQQGTHSA-N 1 2 297.399 0.874 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)C1 ZINC000328890596 389143396 /nfs/dbraw/zinc/14/33/96/389143396.db2.gz RTKHLFVVUPKWKP-MGPQQGTHSA-N 1 2 297.399 0.874 20 30 CCEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CC(O)(CC#N)C1 ZINC000328946595 389147194 /nfs/dbraw/zinc/14/71/94/389147194.db2.gz JZXOWOCNZUGTMX-WCQYABFASA-N 1 2 276.340 0.458 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000328951617 389147228 /nfs/dbraw/zinc/14/72/28/389147228.db2.gz CPVGYIOOPVFGRA-LBPRGKRZSA-N 1 2 285.388 0.637 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C)CCOCC2)C1 ZINC000328951617 389147232 /nfs/dbraw/zinc/14/72/32/389147232.db2.gz CPVGYIOOPVFGRA-LBPRGKRZSA-N 1 2 285.388 0.637 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758809 389099892 /nfs/dbraw/zinc/09/98/92/389099892.db2.gz KOUHAOSDRNAFJI-CBAPKCEASA-N 1 2 265.235 0.014 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758809 389099896 /nfs/dbraw/zinc/09/98/96/389099896.db2.gz KOUHAOSDRNAFJI-CBAPKCEASA-N 1 2 265.235 0.014 20 30 CCEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)CCO ZINC000121390963 389147823 /nfs/dbraw/zinc/14/78/23/389147823.db2.gz REYWSMYSOUGJPG-UHFFFAOYSA-N 1 2 283.303 0.455 20 30 CCEDLO N#CCCOCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000338909881 389118787 /nfs/dbraw/zinc/11/87/87/389118787.db2.gz WNJWESBJEXQGFB-CYBMUJFWSA-N 1 2 281.356 0.240 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCOCCC#N ZINC000338993750 389120423 /nfs/dbraw/zinc/12/04/23/389120423.db2.gz ZFTHLSOIVGLIJZ-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCOCCC#N ZINC000338993750 389120427 /nfs/dbraw/zinc/12/04/27/389120427.db2.gz ZFTHLSOIVGLIJZ-QWRGUYRKSA-N 1 2 256.302 0.179 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000356355598 389123462 /nfs/dbraw/zinc/12/34/62/389123462.db2.gz LUMLQXORUYLMHQ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000356355598 389123464 /nfs/dbraw/zinc/12/34/64/389123464.db2.gz LUMLQXORUYLMHQ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO CCC(CC)[C@@H](C(=O)NCC#CCO)[NH+]1CCOCC1 ZINC000339187678 389127277 /nfs/dbraw/zinc/12/72/77/389127277.db2.gz YVLAWXPVMZVQJL-AWEZNQCLSA-N 1 2 282.384 0.235 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC000356870765 389129621 /nfs/dbraw/zinc/12/96/21/389129621.db2.gz HPBDFMWXHOHDAU-NEPJUHHUSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC000356870765 389129624 /nfs/dbraw/zinc/12/96/24/389129624.db2.gz HPBDFMWXHOHDAU-NEPJUHHUSA-N 1 2 256.346 0.150 20 30 CCEDLO CC(C)(C(=O)NCCc1nc(N)no1)[NH+]1CCOCC1 ZINC000328676534 389131149 /nfs/dbraw/zinc/13/11/49/389131149.db2.gz LNBVPTJNZKFGSF-UHFFFAOYSA-N 1 2 283.332 0.092 20 30 CCEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000357383451 389134362 /nfs/dbraw/zinc/13/43/62/389134362.db2.gz UZDNNEUZZAIXLY-CYBMUJFWSA-N 1 2 282.340 0.540 20 30 CCEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000357383451 389134365 /nfs/dbraw/zinc/13/43/65/389134365.db2.gz UZDNNEUZZAIXLY-CYBMUJFWSA-N 1 2 282.340 0.540 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000339758707 389138473 /nfs/dbraw/zinc/13/84/73/389138473.db2.gz XBCQDIBLVTZOJO-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000339758707 389138477 /nfs/dbraw/zinc/13/84/77/389138477.db2.gz XBCQDIBLVTZOJO-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C=CCNC(=O)CN1CCN(c2cccc(C)[nH+]2)CC1 ZINC000357883487 389139046 /nfs/dbraw/zinc/13/90/46/389139046.db2.gz ULBNNSVRPWEMCD-UHFFFAOYSA-N 1 2 274.368 0.814 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000328854652 389141800 /nfs/dbraw/zinc/14/18/00/389141800.db2.gz JOOOXHLYYBOEDC-GHMZBOCLSA-N 1 2 291.355 0.354 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](O)C1 ZINC000329632567 389179791 /nfs/dbraw/zinc/17/97/91/389179791.db2.gz RWMKDFNTKWNNAV-ZJUUUORDSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](O)C1 ZINC000329632567 389179794 /nfs/dbraw/zinc/17/97/94/389179794.db2.gz RWMKDFNTKWNNAV-ZJUUUORDSA-N 1 2 264.329 0.638 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329747763 389195972 /nfs/dbraw/zinc/19/59/72/389195972.db2.gz ZPHVQOWQKKKQPV-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329747763 389195973 /nfs/dbraw/zinc/19/59/73/389195973.db2.gz ZPHVQOWQKKKQPV-NXEZZACHSA-N 1 2 264.329 0.902 20 30 CCEDLO N#C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329745778 389196065 /nfs/dbraw/zinc/19/60/65/389196065.db2.gz RLBBBSMLOSQSKJ-VHSXEESVSA-N 1 2 275.312 0.405 20 30 CCEDLO N#C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329745778 389196066 /nfs/dbraw/zinc/19/60/66/389196066.db2.gz RLBBBSMLOSQSKJ-VHSXEESVSA-N 1 2 275.312 0.405 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329764670 389197862 /nfs/dbraw/zinc/19/78/62/389197862.db2.gz VYZJWHUURYWPDC-VIFPVBQESA-N 1 2 267.333 0.952 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000329764670 389197864 /nfs/dbraw/zinc/19/78/64/389197864.db2.gz VYZJWHUURYWPDC-VIFPVBQESA-N 1 2 267.333 0.952 20 30 CCEDLO C=C1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000329163908 389152385 /nfs/dbraw/zinc/15/23/85/389152385.db2.gz GOGNMDIAKGMUSI-UHFFFAOYSA-N 1 2 259.371 0.578 20 30 CCEDLO C=C(CC)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000358623183 389156565 /nfs/dbraw/zinc/15/65/65/389156565.db2.gz HEAIGJNZBXJCQP-UHFFFAOYSA-N 1 2 265.357 0.375 20 30 CCEDLO Cc1cnn(CCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000329346443 389158401 /nfs/dbraw/zinc/15/84/01/389158401.db2.gz CZTRHGXVMLGLKN-CYBMUJFWSA-N 1 2 279.388 0.784 20 30 CCEDLO Cc1cnn(CCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000329346443 389158403 /nfs/dbraw/zinc/15/84/03/389158403.db2.gz CZTRHGXVMLGLKN-CYBMUJFWSA-N 1 2 279.388 0.784 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCSC2)C1 ZINC000329453284 389164926 /nfs/dbraw/zinc/16/49/26/389164926.db2.gz PHPOQZBGLNUKBZ-VXGBXAGGSA-N 1 2 287.429 0.964 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCSC2)C1 ZINC000329453284 389164928 /nfs/dbraw/zinc/16/49/28/389164928.db2.gz PHPOQZBGLNUKBZ-VXGBXAGGSA-N 1 2 287.429 0.964 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000359233264 389168636 /nfs/dbraw/zinc/16/86/36/389168636.db2.gz QGJNTVSIHWRJNG-QWRGUYRKSA-N 1 2 264.329 0.607 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000359226975 389169021 /nfs/dbraw/zinc/16/90/21/389169021.db2.gz JOVWLPJDFFKJIU-NEPJUHHUSA-N 1 2 278.356 0.915 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000330596959 389245112 /nfs/dbraw/zinc/24/51/12/389245112.db2.gz DGZKSMYBLNUTFD-NSHDSACASA-N 1 2 294.355 0.610 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000330596959 389245115 /nfs/dbraw/zinc/24/51/15/389245115.db2.gz DGZKSMYBLNUTFD-NSHDSACASA-N 1 2 294.355 0.610 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnns2)C1 ZINC000330596049 389245168 /nfs/dbraw/zinc/24/51/68/389245168.db2.gz CNCOUEVLNZYMCP-VIFPVBQESA-N 1 2 298.368 0.728 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnns2)C1 ZINC000330596049 389245170 /nfs/dbraw/zinc/24/51/70/389245170.db2.gz CNCOUEVLNZYMCP-VIFPVBQESA-N 1 2 298.368 0.728 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135579329 389259745 /nfs/dbraw/zinc/25/97/45/389259745.db2.gz NZUSHWWUEHIIJS-UHFFFAOYSA-N 1 2 295.383 0.630 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135579329 389259750 /nfs/dbraw/zinc/25/97/50/389259750.db2.gz NZUSHWWUEHIIJS-UHFFFAOYSA-N 1 2 295.383 0.630 20 30 CCEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)CCO)c1 ZINC000136069356 389264437 /nfs/dbraw/zinc/26/44/37/389264437.db2.gz LHPBAONGMRFHBL-UHFFFAOYSA-N 1 2 265.313 0.560 20 30 CCEDLO C=CCOC[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000361112514 389208405 /nfs/dbraw/zinc/20/84/05/389208405.db2.gz ZEEFUEQMYMHRII-NSHDSACASA-N 1 2 253.302 0.254 20 30 CCEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC(=O)NC1CC1 ZINC000329890646 389208831 /nfs/dbraw/zinc/20/88/31/389208831.db2.gz GOTZXBGJHDHKIL-CYBMUJFWSA-N 1 2 283.328 0.511 20 30 CCEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC(=O)NC1CC1 ZINC000329890646 389208832 /nfs/dbraw/zinc/20/88/32/389208832.db2.gz GOTZXBGJHDHKIL-CYBMUJFWSA-N 1 2 283.328 0.511 20 30 CCEDLO CCN1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC1=O ZINC000329894764 389209681 /nfs/dbraw/zinc/20/96/81/389209681.db2.gz BPXRPWVFJNHPFK-GFCCVEGCSA-N 1 2 295.383 0.676 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCC#N ZINC000246114452 389223900 /nfs/dbraw/zinc/22/39/00/389223900.db2.gz MFJPRXLYZUXXAD-UTUOFQBUSA-N 1 2 279.340 0.432 20 30 CCEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NCC#N ZINC000246114452 389223903 /nfs/dbraw/zinc/22/39/03/389223903.db2.gz MFJPRXLYZUXXAD-UTUOFQBUSA-N 1 2 279.340 0.432 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1=O ZINC000330391719 389224659 /nfs/dbraw/zinc/22/46/59/389224659.db2.gz PIIZTSKJGHOXFB-UTUOFQBUSA-N 1 2 288.413 0.527 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1=O ZINC000330391719 389224661 /nfs/dbraw/zinc/22/46/61/389224661.db2.gz PIIZTSKJGHOXFB-UTUOFQBUSA-N 1 2 288.413 0.527 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCNC2=O)c[nH+]1 ZINC000330418476 389227278 /nfs/dbraw/zinc/22/72/78/389227278.db2.gz DNKHPANCYBYVFJ-LLVKDONJSA-N 1 2 291.355 0.430 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246631472 389230701 /nfs/dbraw/zinc/23/07/01/389230701.db2.gz WCZSOPYSEOHHBR-FRRDWIJNSA-N 1 2 297.399 0.374 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246631472 389230704 /nfs/dbraw/zinc/23/07/04/389230704.db2.gz WCZSOPYSEOHHBR-FRRDWIJNSA-N 1 2 297.399 0.374 20 30 CCEDLO CNC(=O)NCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330498375 389235333 /nfs/dbraw/zinc/23/53/33/389235333.db2.gz AURGCJATLHCYNR-VIFPVBQESA-N 1 2 265.317 0.597 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330529834 389238347 /nfs/dbraw/zinc/23/83/47/389238347.db2.gz MIHDYMAALBMFCX-NEPJUHHUSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330529834 389238349 /nfs/dbraw/zinc/23/83/49/389238349.db2.gz MIHDYMAALBMFCX-NEPJUHHUSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247402998 389239627 /nfs/dbraw/zinc/23/96/27/389239627.db2.gz REXJOJWABNEBPT-NEPJUHHUSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247402998 389239629 /nfs/dbraw/zinc/23/96/29/389239629.db2.gz REXJOJWABNEBPT-NEPJUHHUSA-N 1 2 254.330 0.168 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000331656153 389310262 /nfs/dbraw/zinc/31/02/62/389310262.db2.gz POOKQESYJGPICR-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000331656153 389310263 /nfs/dbraw/zinc/31/02/63/389310263.db2.gz POOKQESYJGPICR-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156188168 389324613 /nfs/dbraw/zinc/32/46/13/389324613.db2.gz BOGLVAYTRLWYBA-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156188168 389324616 /nfs/dbraw/zinc/32/46/16/389324616.db2.gz BOGLVAYTRLWYBA-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264394940 389325986 /nfs/dbraw/zinc/32/59/86/389325986.db2.gz NQYCDPKRYZUQJN-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264394940 389325989 /nfs/dbraw/zinc/32/59/89/389325989.db2.gz NQYCDPKRYZUQJN-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C(C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000156680060 389327259 /nfs/dbraw/zinc/32/72/59/389327259.db2.gz XYBSBORXRGBCKR-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO CC(C)OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157156483 389329642 /nfs/dbraw/zinc/32/96/42/389329642.db2.gz NLJZKLASMRMZMX-UHFFFAOYSA-N 1 2 283.372 0.486 20 30 CCEDLO Cn1c[nH+]cc1CONC(N)=CC(=O)N1CCCCC1 ZINC000267778393 389375021 /nfs/dbraw/zinc/37/50/21/389375021.db2.gz MQJKRMKOJYSWFL-UHFFFAOYSA-N 1 2 279.344 0.612 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349106555 389404663 /nfs/dbraw/zinc/40/46/63/389404663.db2.gz YOPQGYNEHNKPIN-OLZOCXBDSA-N 1 2 295.362 0.818 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349106555 389404664 /nfs/dbraw/zinc/40/46/64/389404664.db2.gz YOPQGYNEHNKPIN-OLZOCXBDSA-N 1 2 295.362 0.818 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000332753006 389365182 /nfs/dbraw/zinc/36/51/82/389365182.db2.gz GFVUIPQCNWJNQH-NWDGAFQWSA-N 1 2 292.383 0.538 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000332753006 389365184 /nfs/dbraw/zinc/36/51/84/389365184.db2.gz GFVUIPQCNWJNQH-NWDGAFQWSA-N 1 2 292.383 0.538 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000349774572 389432471 /nfs/dbraw/zinc/43/24/71/389432471.db2.gz IQXQQJKPPRPNMF-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO CC(C)NS(=O)(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411686330 389443179 /nfs/dbraw/zinc/44/31/79/389443179.db2.gz CWMBGRVYLUBFJA-GFCCVEGCSA-N 1 2 288.417 0.539 20 30 CCEDLO CC(C)OC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119878 389444163 /nfs/dbraw/zinc/44/41/63/389444163.db2.gz HOVONNVKNHHAKO-UONOGXRCSA-N 1 2 297.399 0.873 20 30 CCEDLO CC(C)OC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000372119878 389444166 /nfs/dbraw/zinc/44/41/66/389444166.db2.gz HOVONNVKNHHAKO-UONOGXRCSA-N 1 2 297.399 0.873 20 30 CCEDLO C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000272012651 389457160 /nfs/dbraw/zinc/45/71/60/389457160.db2.gz MCUYYJILUPXYDF-UHFFFAOYSA-N 1 2 290.323 0.055 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC(=O)NC2CC2)c1 ZINC000174212563 389517002 /nfs/dbraw/zinc/51/70/02/389517002.db2.gz RYDZWKUNWYIDND-UHFFFAOYSA-N 1 2 263.297 0.611 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@@H+](C)C(C)C)n1 ZINC000350717342 389536217 /nfs/dbraw/zinc/53/62/17/389536217.db2.gz RYFZZGSIEQDYGH-UHFFFAOYSA-N 1 2 252.318 0.755 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@H+](C)C(C)C)n1 ZINC000350717342 389536220 /nfs/dbraw/zinc/53/62/20/389536220.db2.gz RYFZZGSIEQDYGH-UHFFFAOYSA-N 1 2 252.318 0.755 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@]23CCOC3=O)C1=O ZINC000281182340 389609861 /nfs/dbraw/zinc/60/98/61/389609861.db2.gz BAPXHXNVSTXMCJ-FZMZJTMJSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@]23CCOC3=O)C1=O ZINC000281182340 389609864 /nfs/dbraw/zinc/60/98/64/389609864.db2.gz BAPXHXNVSTXMCJ-FZMZJTMJSA-N 1 2 264.325 0.555 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cnccn3)CC2)C1=O ZINC000281148448 389610173 /nfs/dbraw/zinc/61/01/73/389610173.db2.gz BDTUZDRAFDRGHA-ZDUSSCGKSA-N 1 2 287.367 0.386 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H](C)C2)C1=O ZINC000281266193 389613359 /nfs/dbraw/zinc/61/33/59/389613359.db2.gz HTYKGAYLMCVCCH-UONOGXRCSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C)C2)C1=O ZINC000281266193 389613364 /nfs/dbraw/zinc/61/33/64/389613364.db2.gz HTYKGAYLMCVCCH-UONOGXRCSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000351581688 389621361 /nfs/dbraw/zinc/62/13/61/389621361.db2.gz NJQVBYVUXGIGCD-UHFFFAOYSA-N 1 2 290.429 0.984 20 30 CCEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ncnn1C ZINC000177675803 389589601 /nfs/dbraw/zinc/58/96/01/389589601.db2.gz XNYFRKCWIJBYHB-VIFPVBQESA-N 1 2 255.322 0.665 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000351944525 389721518 /nfs/dbraw/zinc/72/15/18/389721518.db2.gz LRZIIBBCQNFJFE-PSASIEDQSA-N 1 2 265.338 0.871 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000351944525 389721520 /nfs/dbraw/zinc/72/15/20/389721520.db2.gz LRZIIBBCQNFJFE-PSASIEDQSA-N 1 2 265.338 0.871 20 30 CCEDLO C=CCn1cc(CNC(=O)NCCc2cn(C)c[nH+]2)nn1 ZINC000425558315 389651994 /nfs/dbraw/zinc/65/19/94/389651994.db2.gz DLCAPFLLXBKTEC-UHFFFAOYSA-N 1 2 289.343 0.240 20 30 CCEDLO CC#CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179374769 389654431 /nfs/dbraw/zinc/65/44/31/389654431.db2.gz CWOJJHPMABKEEC-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO CC#CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179374769 389654433 /nfs/dbraw/zinc/65/44/33/389654433.db2.gz CWOJJHPMABKEEC-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000183189940 389727270 /nfs/dbraw/zinc/72/72/70/389727270.db2.gz CBVSBARFIBJNGJ-LLVKDONJSA-N 1 2 277.324 0.690 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSCC#N ZINC000376188916 389730590 /nfs/dbraw/zinc/73/05/90/389730590.db2.gz ROMWGSCSCCYJMY-RYUDHWBXSA-N 1 2 283.397 0.565 20 30 CCEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416496541 389748915 /nfs/dbraw/zinc/74/89/15/389748915.db2.gz PKRURZBLBCVFGH-WDEREUQCSA-N 1 2 259.375 0.644 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416496541 389748916 /nfs/dbraw/zinc/74/89/16/389748916.db2.gz PKRURZBLBCVFGH-WDEREUQCSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000352413945 389806644 /nfs/dbraw/zinc/80/66/44/389806644.db2.gz ROCDTIGUSXZKRD-SNVBAGLBSA-N 1 2 299.421 0.938 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000352413945 389806647 /nfs/dbraw/zinc/80/66/47/389806647.db2.gz ROCDTIGUSXZKRD-SNVBAGLBSA-N 1 2 299.421 0.938 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441653732 389840707 /nfs/dbraw/zinc/84/07/07/389840707.db2.gz SQEKKGYVJFJTRK-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441653732 389840710 /nfs/dbraw/zinc/84/07/10/389840710.db2.gz SQEKKGYVJFJTRK-QWRGUYRKSA-N 1 2 255.314 0.989 20 30 CCEDLO Cc1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1C#N ZINC000443717368 389883824 /nfs/dbraw/zinc/88/38/24/389883824.db2.gz JLNJJQFNLDBANV-UHFFFAOYSA-N 1 2 279.365 0.851 20 30 CCEDLO N#Cc1csc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000443853299 389886325 /nfs/dbraw/zinc/88/63/25/389886325.db2.gz NEWSDYSIZHUPNH-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000443853299 389886326 /nfs/dbraw/zinc/88/63/26/389886326.db2.gz NEWSDYSIZHUPNH-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)C#N ZINC000433311690 389908325 /nfs/dbraw/zinc/90/83/25/389908325.db2.gz ILEDRJIZJGPPBH-UHFFFAOYSA-N 1 2 294.277 0.856 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)C#N ZINC000433311690 389908327 /nfs/dbraw/zinc/90/83/27/389908327.db2.gz ILEDRJIZJGPPBH-UHFFFAOYSA-N 1 2 294.277 0.856 20 30 CCEDLO C=CCCS(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433364226 389910492 /nfs/dbraw/zinc/91/04/92/389910492.db2.gz UFNMKDVDIFPRQI-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=CCCS(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433364226 389910494 /nfs/dbraw/zinc/91/04/94/389910494.db2.gz UFNMKDVDIFPRQI-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)s1 ZINC000435424744 389957145 /nfs/dbraw/zinc/95/71/45/389957145.db2.gz AHNBJRRAKWJXKK-UHFFFAOYSA-N 1 2 271.367 0.604 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000420943568 390039161 /nfs/dbraw/zinc/03/91/61/390039161.db2.gz RIOPVSIKSLKVQB-VXGBXAGGSA-N 1 2 268.357 0.245 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](CO)OC(C)(C)C2)C1=O ZINC000420943568 390039163 /nfs/dbraw/zinc/03/91/63/390039163.db2.gz RIOPVSIKSLKVQB-VXGBXAGGSA-N 1 2 268.357 0.245 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)C[C@H](C)C#N ZINC000437397323 389993323 /nfs/dbraw/zinc/99/33/23/389993323.db2.gz OZTBHHXXVOARAT-SECBINFHSA-N 1 2 276.296 0.647 20 30 CCEDLO N#Cc1cncc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000420607414 390016441 /nfs/dbraw/zinc/01/64/41/390016441.db2.gz ZCBXSQBXEYSHRX-LBPRGKRZSA-N 1 2 259.313 0.623 20 30 CCEDLO N#Cc1cncc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000420607414 390016442 /nfs/dbraw/zinc/01/64/42/390016442.db2.gz ZCBXSQBXEYSHRX-LBPRGKRZSA-N 1 2 259.313 0.623 20 30 CCEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000493132924 390119100 /nfs/dbraw/zinc/11/91/00/390119100.db2.gz RQABWMNAWJEWIG-VSQXVHSFSA-N 1 2 295.364 0.625 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000490761960 390107744 /nfs/dbraw/zinc/10/77/44/390107744.db2.gz DEAGRNKWAPQDRW-UHFFFAOYSA-N 1 2 283.331 0.714 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491371218 390112605 /nfs/dbraw/zinc/11/26/05/390112605.db2.gz DDRQZQWWURLZTN-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491371218 390112606 /nfs/dbraw/zinc/11/26/06/390112606.db2.gz DDRQZQWWURLZTN-RYUDHWBXSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000491420019 390113254 /nfs/dbraw/zinc/11/32/54/390113254.db2.gz WOKFNLPCKNTFMD-IHRRRGAJSA-N 1 2 285.409 0.660 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000491420019 390113255 /nfs/dbraw/zinc/11/32/55/390113255.db2.gz WOKFNLPCKNTFMD-IHRRRGAJSA-N 1 2 285.409 0.660 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000579497572 390181437 /nfs/dbraw/zinc/18/14/37/390181437.db2.gz XINNGWNDZWRLAO-JTQLQIEISA-N 1 2 283.357 0.076 20 30 CCEDLO CCO/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493355772 390124024 /nfs/dbraw/zinc/12/40/24/390124024.db2.gz QQHFACFIUFLMTE-WCIBSUBMSA-N 1 2 281.356 0.611 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000494817110 390202065 /nfs/dbraw/zinc/20/20/65/390202065.db2.gz YAUVPPBKDDUJIV-MJVIPROJSA-N 1 2 292.387 0.909 20 30 CCEDLO Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc2[nH+]1 ZINC000540312234 390218353 /nfs/dbraw/zinc/21/83/53/390218353.db2.gz LEFRGVWKQSSPSK-VIFPVBQESA-N 1 2 285.307 0.857 20 30 CCEDLO N#Cc1nccc(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000580134317 390222686 /nfs/dbraw/zinc/22/26/86/390222686.db2.gz WNYUCILNEIDTGR-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)[nH]1 ZINC000592522471 390363414 /nfs/dbraw/zinc/36/34/14/390363414.db2.gz NONHENFXGMEWRX-CYBMUJFWSA-N 1 2 263.297 0.652 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)[nH]1 ZINC000592522471 390363417 /nfs/dbraw/zinc/36/34/17/390363417.db2.gz NONHENFXGMEWRX-CYBMUJFWSA-N 1 2 263.297 0.652 20 30 CCEDLO C=CCn1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)nn1 ZINC000648420265 390371134 /nfs/dbraw/zinc/37/11/34/390371134.db2.gz NHSMJXYKPUKHSL-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCc1[nH+]ccn1CC ZINC000645525993 390441897 /nfs/dbraw/zinc/44/18/97/390441897.db2.gz JXPWTRLLONYISS-NSHDSACASA-N 1 2 264.329 0.477 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000649188144 390516172 /nfs/dbraw/zinc/51/61/72/390516172.db2.gz FNYDPEYIAGOFGP-LBPRGKRZSA-N 1 2 257.293 0.838 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000514914756 390470887 /nfs/dbraw/zinc/47/08/87/390470887.db2.gz WCIDXTXKVYVVOP-RQJABVFESA-N 1 2 297.399 0.738 20 30 CCEDLO C[C@@H](CNc1ncc2c(c1C#N)CCC2)[NH+]1CCN(C)CC1 ZINC000519639150 390521071 /nfs/dbraw/zinc/52/10/71/390521071.db2.gz JCIIVJBOAKFOOP-ZDUSSCGKSA-N 1 2 299.422 0.912 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000567232449 390681155 /nfs/dbraw/zinc/68/11/55/390681155.db2.gz XTMSMRWNKRHEQY-LBPRGKRZSA-N 1 2 281.356 0.499 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000567232449 390681158 /nfs/dbraw/zinc/68/11/58/390681158.db2.gz XTMSMRWNKRHEQY-LBPRGKRZSA-N 1 2 281.356 0.499 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000646604790 390699583 /nfs/dbraw/zinc/69/95/83/390699583.db2.gz KJIODGBGTMNQBG-CYBMUJFWSA-N 1 2 261.325 0.273 20 30 CCEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCNC1=O ZINC000572842755 390806822 /nfs/dbraw/zinc/80/68/22/390806822.db2.gz XMNVRXUKLMMNMW-LBPRGKRZSA-N 1 2 284.323 0.311 20 30 CCEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCNC1=O ZINC000572842755 390806824 /nfs/dbraw/zinc/80/68/24/390806824.db2.gz XMNVRXUKLMMNMW-LBPRGKRZSA-N 1 2 284.323 0.311 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CCCCC1 ZINC000573047776 390820096 /nfs/dbraw/zinc/82/00/96/390820096.db2.gz LVQZDPYNSAUVKO-STQMWFEESA-N 1 2 295.383 0.004 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CCCCC1 ZINC000573047776 390820099 /nfs/dbraw/zinc/82/00/99/390820099.db2.gz LVQZDPYNSAUVKO-STQMWFEESA-N 1 2 295.383 0.004 20 30 CCEDLO C[C@H](C#N)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000533600334 390885733 /nfs/dbraw/zinc/88/57/33/390885733.db2.gz VQXDRWBZTCUAKB-PWSUYJOCSA-N 1 2 251.330 0.468 20 30 CCEDLO C[C@H](C#N)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000533600334 390885735 /nfs/dbraw/zinc/88/57/35/390885735.db2.gz VQXDRWBZTCUAKB-PWSUYJOCSA-N 1 2 251.330 0.468 20 30 CCEDLO COCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000425235881 533289473 /nfs/dbraw/zinc/28/94/73/533289473.db2.gz JJUNXPXSWRXDMT-GFCCVEGCSA-N 1 2 298.350 0.848 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)C1=O ZINC000649913762 397683120 /nfs/dbraw/zinc/68/31/20/397683120.db2.gz VMYRSJFKGICLMY-JHJVBQTASA-N 1 2 280.368 0.652 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)C1=O ZINC000649913762 397683122 /nfs/dbraw/zinc/68/31/22/397683122.db2.gz VMYRSJFKGICLMY-JHJVBQTASA-N 1 2 280.368 0.652 20 30 CCEDLO NC(=O)C[N@H+](CC(=O)Nc1nncs1)C1CCCC1 ZINC000048575128 411660713 /nfs/dbraw/zinc/66/07/13/411660713.db2.gz MHICLZFBXPPXEY-UHFFFAOYSA-N 1 2 283.357 0.856 20 30 CCEDLO NC(=O)C[N@@H+](CC(=O)Nc1nncs1)C1CCCC1 ZINC000048575128 411660718 /nfs/dbraw/zinc/66/07/18/411660718.db2.gz MHICLZFBXPPXEY-UHFFFAOYSA-N 1 2 283.357 0.856 20 30 CCEDLO C=CCn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000652413696 412049930 /nfs/dbraw/zinc/04/99/30/412049930.db2.gz CKFLOSBREKCPGM-UHFFFAOYSA-N 1 2 260.301 0.852 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCSC[C@@H]2CO)nn1 ZINC000653594400 412322269 /nfs/dbraw/zinc/32/22/69/412322269.db2.gz QEPAMLNEXFPXEK-LBPRGKRZSA-N 1 2 268.386 0.764 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@@H]2CO)nn1 ZINC000653594400 412322271 /nfs/dbraw/zinc/32/22/71/412322271.db2.gz QEPAMLNEXFPXEK-LBPRGKRZSA-N 1 2 268.386 0.764 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037250051 173062412 /nfs/dbraw/zinc/06/24/12/173062412.db2.gz TXEUQSNRGGIEJA-JTQLQIEISA-N 1 2 274.324 0.563 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037250051 173062414 /nfs/dbraw/zinc/06/24/14/173062414.db2.gz TXEUQSNRGGIEJA-JTQLQIEISA-N 1 2 274.324 0.563 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cnccn1 ZINC000660403406 414296023 /nfs/dbraw/zinc/29/60/23/414296023.db2.gz OQAGILGDLNSLMH-UHFFFAOYSA-N 1 2 250.302 0.550 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cnccn1 ZINC000660403406 414296034 /nfs/dbraw/zinc/29/60/34/414296034.db2.gz OQAGILGDLNSLMH-UHFFFAOYSA-N 1 2 250.302 0.550 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437925 416436975 /nfs/dbraw/zinc/43/69/75/416436975.db2.gz OTWJZQJAWICXCC-LBPRGKRZSA-N 1 2 266.366 0.939 20 30 CCEDLO Cc1cc(=NC(=O)[C@H]2CCn3c[nH+]cc3C2)[nH]n1CCC#N ZINC000329038462 227269650 /nfs/dbraw/zinc/26/96/50/227269650.db2.gz ZNCJYNHBMZJWDN-LBPRGKRZSA-N 1 2 298.350 0.925 20 30 CCEDLO N#Cc1cnc(Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000355417711 227751313 /nfs/dbraw/zinc/75/13/13/227751313.db2.gz UELRFHBIAFOHJE-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329972208 228002627 /nfs/dbraw/zinc/00/26/27/228002627.db2.gz WAQYBQUWZLGDBY-NNYUYHANSA-N 1 2 276.340 0.909 20 30 CCEDLO Cc1cnc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)o1 ZINC000330007008 228014933 /nfs/dbraw/zinc/01/49/33/228014933.db2.gz DGYJEQFZXOUHNA-SECBINFHSA-N 1 2 254.290 0.640 20 30 CCEDLO Cc1cnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000330007008 228014935 /nfs/dbraw/zinc/01/49/35/228014935.db2.gz DGYJEQFZXOUHNA-SECBINFHSA-N 1 2 254.290 0.640 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000330028052 228020490 /nfs/dbraw/zinc/02/04/90/228020490.db2.gz NWUFXRGLINIUQM-NNYUYHANSA-N 1 2 276.340 0.768 20 30 CCEDLO CCNC(=O)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329941125 545027785 /nfs/dbraw/zinc/02/77/85/545027785.db2.gz UWUUJKAMUAUZHS-UHFFFAOYSA-N 1 2 250.302 0.777 20 30 CCEDLO CCNC(=O)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329941125 545027787 /nfs/dbraw/zinc/02/77/87/545027787.db2.gz UWUUJKAMUAUZHS-UHFFFAOYSA-N 1 2 250.302 0.777 20 30 CCEDLO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993104 260156014 /nfs/dbraw/zinc/15/60/14/260156014.db2.gz LDDFHGVALIAXMI-SRVKXCTJSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993104 260156015 /nfs/dbraw/zinc/15/60/15/260156015.db2.gz LDDFHGVALIAXMI-SRVKXCTJSA-N 1 2 271.386 0.644 20 30 CCEDLO N#CCC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccco1 ZINC000081517598 260334200 /nfs/dbraw/zinc/33/42/00/260334200.db2.gz KRJIHXPUFNFORR-UHFFFAOYSA-N 1 2 290.323 0.937 20 30 CCEDLO N#CCC[N@H+](CCCN1C(=O)CNC1=O)Cc1ccco1 ZINC000081517598 260334202 /nfs/dbraw/zinc/33/42/02/260334202.db2.gz KRJIHXPUFNFORR-UHFFFAOYSA-N 1 2 290.323 0.937 20 30 CCEDLO CN1CC[C@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000158157423 261160125 /nfs/dbraw/zinc/16/01/25/261160125.db2.gz BQZCHZVTKFUYMS-LBPRGKRZSA-N 1 2 275.308 0.489 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000491166604 261356579 /nfs/dbraw/zinc/35/65/79/261356579.db2.gz SRBMRHTYOYDHKA-CQSZACIVSA-N 1 2 296.367 0.074 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)COC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000177922054 261371323 /nfs/dbraw/zinc/37/13/23/261371323.db2.gz GVFNQSIIBHRSHR-OLZOCXBDSA-N 1 2 291.413 0.447 20 30 CCEDLO C=CC[N@H+](C[C@H](O)COC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000177922054 261371325 /nfs/dbraw/zinc/37/13/25/261371325.db2.gz GVFNQSIIBHRSHR-OLZOCXBDSA-N 1 2 291.413 0.447 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000187961870 261815392 /nfs/dbraw/zinc/81/53/92/261815392.db2.gz DMOJSEBCEGZNGK-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO C#C[C@@H](C)N(C)c1nc(NC)[nH+]c(N(C)[C@H](C)C#C)n1 ZINC000491780853 262039817 /nfs/dbraw/zinc/03/98/17/262039817.db2.gz LHXXXIRCHGSLIR-GHMZBOCLSA-N 1 2 272.356 0.251 20 30 CCEDLO C#C[C@@H](C)N(C)c1nc(NC)nc(N(C)[C@H](C)C#C)[nH+]1 ZINC000491780853 262039822 /nfs/dbraw/zinc/03/98/22/262039822.db2.gz LHXXXIRCHGSLIR-GHMZBOCLSA-N 1 2 272.356 0.251 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C#N)CC1 ZINC000057879778 262349722 /nfs/dbraw/zinc/34/97/22/262349722.db2.gz RQFSXTCZUYGWMI-SECBINFHSA-N 1 2 264.329 0.599 20 30 CCEDLO CC(=O)c1cccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000274366652 263023517 /nfs/dbraw/zinc/02/35/17/263023517.db2.gz PAAZYBDJEDIVCP-JTQLQIEISA-N 1 2 293.323 0.887 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)OC)C1=O ZINC000281204278 263067192 /nfs/dbraw/zinc/06/71/92/263067192.db2.gz CSAOOQYSHYDWSU-QWRGUYRKSA-N 1 2 254.330 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)OC)C1=O ZINC000281204278 263067193 /nfs/dbraw/zinc/06/71/93/263067193.db2.gz CSAOOQYSHYDWSU-QWRGUYRKSA-N 1 2 254.330 0.657 20 30 CCEDLO CO/N=C/C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000283085052 263081108 /nfs/dbraw/zinc/08/11/08/263081108.db2.gz VYAWAGMJTZNDLV-RFRKOGIWSA-N 1 2 291.351 0.808 20 30 CCEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284549778 263087450 /nfs/dbraw/zinc/08/74/50/263087450.db2.gz VXBCKPSLJDXTIR-SFYZADRCSA-N 1 2 270.289 0.745 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000288430125 263104303 /nfs/dbraw/zinc/10/43/03/263104303.db2.gz DFJGJTGWBCBEET-AWEZNQCLSA-N 1 2 293.367 0.731 20 30 CCEDLO COc1cc(C)[nH+]c(CN(CC#N)S(=O)(=O)N(C)C)c1 ZINC000289396610 263109878 /nfs/dbraw/zinc/10/98/78/263109878.db2.gz NJHYMRAKQLLDQW-UHFFFAOYSA-N 1 2 298.368 0.531 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)CCCC#N ZINC000293019679 263137137 /nfs/dbraw/zinc/13/71/37/263137137.db2.gz PLTXOXOLXHQIGZ-UHFFFAOYSA-N 1 2 269.326 0.813 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)NCCCc1cn[nH]c1C ZINC000296584405 263193848 /nfs/dbraw/zinc/19/38/48/263193848.db2.gz WMNAWXKVMRZXJJ-UHFFFAOYSA-N 1 2 291.399 0.905 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)NCCCc1cn[nH]c1C ZINC000296584405 263193849 /nfs/dbraw/zinc/19/38/49/263193849.db2.gz WMNAWXKVMRZXJJ-UHFFFAOYSA-N 1 2 291.399 0.905 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299149267 263231811 /nfs/dbraw/zinc/23/18/11/263231811.db2.gz DHUAWZPZBRIMCU-ZJUUUORDSA-N 1 2 254.334 0.701 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299149267 263231814 /nfs/dbraw/zinc/23/18/14/263231814.db2.gz DHUAWZPZBRIMCU-ZJUUUORDSA-N 1 2 254.334 0.701 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299149265 263232177 /nfs/dbraw/zinc/23/21/77/263232177.db2.gz DHUAWZPZBRIMCU-NXEZZACHSA-N 1 2 254.334 0.701 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299149265 263232176 /nfs/dbraw/zinc/23/21/76/263232176.db2.gz DHUAWZPZBRIMCU-NXEZZACHSA-N 1 2 254.334 0.701 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370034059 263321498 /nfs/dbraw/zinc/32/14/98/263321498.db2.gz WBZSIJULJYZPBY-GVXVVHGQSA-N 1 2 250.342 0.624 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370034059 263321500 /nfs/dbraw/zinc/32/15/00/263321500.db2.gz WBZSIJULJYZPBY-GVXVVHGQSA-N 1 2 250.342 0.624 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1[C@H]3CN(CC#N)C[C@H]31)C2 ZINC000960647899 649857000 /nfs/dbraw/zinc/85/70/00/649857000.db2.gz MRLQVYVQLZRTLH-FJJYHAOUSA-N 1 2 299.378 0.393 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1[C@H]3CN(CC#N)C[C@H]31)CC2 ZINC000960647899 649857001 /nfs/dbraw/zinc/85/70/01/649857001.db2.gz MRLQVYVQLZRTLH-FJJYHAOUSA-N 1 2 299.378 0.393 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000330672145 264014205 /nfs/dbraw/zinc/01/42/05/264014205.db2.gz XFVZNABQIPAXHI-JTQLQIEISA-N 1 2 289.401 0.490 20 30 CCEDLO C[C@H](CS(C)(=O)=O)N(C)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000330739199 264038149 /nfs/dbraw/zinc/03/81/49/264038149.db2.gz OECIGTMZEPDDOL-SNVBAGLBSA-N 1 2 288.373 0.162 20 30 CCEDLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000330739199 264038151 /nfs/dbraw/zinc/03/81/51/264038151.db2.gz OECIGTMZEPDDOL-SNVBAGLBSA-N 1 2 288.373 0.162 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330739531 264038299 /nfs/dbraw/zinc/03/82/99/264038299.db2.gz OKRZASJASNAPGQ-NSHDSACASA-N 1 2 269.345 0.559 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330739531 264038300 /nfs/dbraw/zinc/03/83/00/264038300.db2.gz OKRZASJASNAPGQ-NSHDSACASA-N 1 2 269.345 0.559 20 30 CCEDLO CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330899875 264079074 /nfs/dbraw/zinc/07/90/74/264079074.db2.gz VYPLXJJADGMSBH-UHFFFAOYSA-N 1 2 291.355 0.815 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000330938943 264083038 /nfs/dbraw/zinc/08/30/38/264083038.db2.gz CHSWTXPHVFKDTF-JTQLQIEISA-N 1 2 280.328 0.104 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000330938943 264083040 /nfs/dbraw/zinc/08/30/40/264083040.db2.gz CHSWTXPHVFKDTF-JTQLQIEISA-N 1 2 280.328 0.104 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330947205 264084966 /nfs/dbraw/zinc/08/49/66/264084966.db2.gz HJAHGDRBCHAOFR-SNVBAGLBSA-N 1 2 265.313 0.731 20 30 CCEDLO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330947205 264084969 /nfs/dbraw/zinc/08/49/69/264084969.db2.gz HJAHGDRBCHAOFR-SNVBAGLBSA-N 1 2 265.313 0.731 20 30 CCEDLO CC(C)C[C@H](CNC(=O)c1cnnn1C)[NH+]1CCOCC1 ZINC000330952692 264086715 /nfs/dbraw/zinc/08/67/15/264086715.db2.gz QSZSWOUSZYIMRK-GFCCVEGCSA-N 1 2 295.387 0.867 20 30 CCEDLO Cc1noc(C)c1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000330956623 264087197 /nfs/dbraw/zinc/08/71/97/264087197.db2.gz UWQRVPFCZFNWNY-CQSZACIVSA-N 1 2 297.355 0.679 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000330969946 264092023 /nfs/dbraw/zinc/09/20/23/264092023.db2.gz MGHDTYDJZBYEIS-JTQLQIEISA-N 1 2 289.401 0.226 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000330969946 264092026 /nfs/dbraw/zinc/09/20/26/264092026.db2.gz MGHDTYDJZBYEIS-JTQLQIEISA-N 1 2 289.401 0.226 20 30 CCEDLO C[C@@H](C#N)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000330973800 264101177 /nfs/dbraw/zinc/10/11/77/264101177.db2.gz OPUREXICJILLDI-LBPRGKRZSA-N 1 2 273.340 0.232 20 30 CCEDLO CCc1ocnc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000331045527 264108719 /nfs/dbraw/zinc/10/87/19/264108719.db2.gz HPIXASGZEIJRTB-AWEZNQCLSA-N 1 2 297.355 0.625 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356735154 266167133 /nfs/dbraw/zinc/16/71/33/266167133.db2.gz DSSNUVBLAIHVEX-UTUOFQBUSA-N 1 2 251.330 0.468 20 30 CCEDLO C=C[C@H](CO)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000356841792 266185792 /nfs/dbraw/zinc/18/57/92/266185792.db2.gz UYEUEUXYSXSIAH-XQQFMLRXSA-N 1 2 275.352 0.817 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000357583881 266330971 /nfs/dbraw/zinc/33/09/71/266330971.db2.gz XWKQGODRUNIIRZ-UHFFFAOYSA-N 1 2 264.416 0.531 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363122842 267075268 /nfs/dbraw/zinc/07/52/68/267075268.db2.gz UHZHXNHRZMDRNI-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363122842 267075270 /nfs/dbraw/zinc/07/52/70/267075270.db2.gz UHZHXNHRZMDRNI-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C#CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368494408 267177222 /nfs/dbraw/zinc/17/72/22/267177222.db2.gz NOMQXHHRZIXUQJ-AWEZNQCLSA-N 1 2 283.335 0.880 20 30 CCEDLO C#CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368494408 267177225 /nfs/dbraw/zinc/17/72/25/267177225.db2.gz NOMQXHHRZIXUQJ-AWEZNQCLSA-N 1 2 283.335 0.880 20 30 CCEDLO C=C(Br)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827569 267207305 /nfs/dbraw/zinc/20/73/05/267207305.db2.gz XRMXAEIMRDPHII-JTQLQIEISA-N 1 2 261.163 0.911 20 30 CCEDLO C=C(Br)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368827569 267207307 /nfs/dbraw/zinc/20/73/07/267207307.db2.gz XRMXAEIMRDPHII-JTQLQIEISA-N 1 2 261.163 0.911 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219369794 267209997 /nfs/dbraw/zinc/20/99/97/267209997.db2.gz KAERCWNCFPPFNY-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219369794 267210001 /nfs/dbraw/zinc/21/00/01/267210001.db2.gz KAERCWNCFPPFNY-WCQYABFASA-N 1 2 289.335 0.118 20 30 CCEDLO N#Cc1c(F)cccc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000519177287 268164737 /nfs/dbraw/zinc/16/47/37/268164737.db2.gz ZQKBWOGNBSXERT-ZDUSSCGKSA-N 1 2 263.272 0.431 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000528566259 268212694 /nfs/dbraw/zinc/21/26/94/268212694.db2.gz DKSUIKHPPYHCOM-UHFFFAOYSA-N 1 2 267.292 0.776 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000347294389 277367033 /nfs/dbraw/zinc/36/70/33/277367033.db2.gz SFTZVVOBDKKDMW-GFCCVEGCSA-N 1 2 259.309 0.887 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000347294389 277367034 /nfs/dbraw/zinc/36/70/34/277367034.db2.gz SFTZVVOBDKKDMW-GFCCVEGCSA-N 1 2 259.309 0.887 20 30 CCEDLO C[C@@H]1OCC[C@@]12CN(C(=O)NCc1c[nH+]cn1C)CCO2 ZINC000329745375 278058220 /nfs/dbraw/zinc/05/82/20/278058220.db2.gz YJTAOKATYRWKGL-SMDDNHRTSA-N 1 2 294.355 0.714 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000353996427 288382546 /nfs/dbraw/zinc/38/25/46/288382546.db2.gz DAPGOXXFSGMWQK-TZMCWYRMSA-N 1 2 283.372 0.078 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329947876 289394036 /nfs/dbraw/zinc/39/40/36/289394036.db2.gz HHUYVLHETJHVCI-UTUOFQBUSA-N 1 2 291.355 0.468 20 30 CCEDLO C[C@H](C(=O)Nc1ncccn1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329947876 289394038 /nfs/dbraw/zinc/39/40/38/289394038.db2.gz HHUYVLHETJHVCI-UTUOFQBUSA-N 1 2 291.355 0.468 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000161966858 327688317 /nfs/dbraw/zinc/68/83/17/327688317.db2.gz NRRCXXSSGYKPHF-CQSZACIVSA-N 1 2 277.372 0.906 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000376121549 327713838 /nfs/dbraw/zinc/71/38/38/327713838.db2.gz YTTPNUBFZZOZPT-DGCLKSJQSA-N 1 2 250.346 0.042 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000565164333 328057219 /nfs/dbraw/zinc/05/72/19/328057219.db2.gz ODCBYIQQTHHHSH-UHFFFAOYSA-N 1 2 281.747 0.594 20 30 CCEDLO C=CCCCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000582797133 329209319 /nfs/dbraw/zinc/20/93/19/329209319.db2.gz NJETWZQJCFQSKM-UHFFFAOYSA-N 1 2 278.356 0.862 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190505679 328490897 /nfs/dbraw/zinc/49/08/97/328490897.db2.gz IPMWZEMPSVLCKD-UHFFFAOYSA-N 1 2 282.303 0.950 20 30 CCEDLO C=CCn1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)nn1 ZINC000573795322 327257911 /nfs/dbraw/zinc/25/79/11/327257911.db2.gz OIHDUVZAGGILGA-VIFPVBQESA-N 1 2 264.251 0.867 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cccnc1 ZINC000578135310 327302047 /nfs/dbraw/zinc/30/20/47/327302047.db2.gz AAHYGXARUSFBQO-ZDUSSCGKSA-N 1 2 262.313 0.420 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH+]1CCOCC1 ZINC000173044424 329142641 /nfs/dbraw/zinc/14/26/41/329142641.db2.gz LLSIJRYJDYQFST-UHFFFAOYSA-N 1 2 256.346 0.418 20 30 CCEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]1 ZINC000583216388 329370412 /nfs/dbraw/zinc/37/04/12/329370412.db2.gz GQOFQRAYNNUFAV-UHFFFAOYSA-N 1 2 274.324 0.935 20 30 CCEDLO Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000584406780 329459286 /nfs/dbraw/zinc/45/92/86/329459286.db2.gz JPZICEBGTMATKI-NSHDSACASA-N 1 2 280.353 0.390 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCC1 ZINC000247705457 329885045 /nfs/dbraw/zinc/88/50/45/329885045.db2.gz DAABTOZRLNUDBK-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1CC1 ZINC000274180670 330103590 /nfs/dbraw/zinc/10/35/90/330103590.db2.gz OUVODYRSUKKLDE-FZMZJTMJSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1CC1 ZINC000274180670 330103591 /nfs/dbraw/zinc/10/35/91/330103591.db2.gz OUVODYRSUKKLDE-FZMZJTMJSA-N 1 2 280.368 0.788 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@](C)(C(C)C)C2=O)CC1 ZINC000116867141 330360926 /nfs/dbraw/zinc/36/09/26/330360926.db2.gz LLAFXWJOSPJYIW-MRXNPFEDSA-N 1 2 291.395 0.616 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000424704324 330451345 /nfs/dbraw/zinc/45/13/45/330451345.db2.gz IBMVAVBPIBDENP-CYBMUJFWSA-N 1 2 284.400 0.740 20 30 CCEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1COC1 ZINC000451284745 331023168 /nfs/dbraw/zinc/02/31/68/331023168.db2.gz LRKMSXGUYGUTDC-UHFFFAOYSA-N 1 2 264.329 0.363 20 30 CCEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1COC1 ZINC000451284745 331023169 /nfs/dbraw/zinc/02/31/69/331023169.db2.gz LRKMSXGUYGUTDC-UHFFFAOYSA-N 1 2 264.329 0.363 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000457377236 331220375 /nfs/dbraw/zinc/22/03/75/331220375.db2.gz CSTPHSHERIBNLG-LBPRGKRZSA-N 1 2 266.345 0.900 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)CC#N ZINC000457730184 331232611 /nfs/dbraw/zinc/23/26/11/331232611.db2.gz CTAXHQGKTPDQNH-LBPRGKRZSA-N 1 2 282.388 0.946 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000489729912 332066273 /nfs/dbraw/zinc/06/62/73/332066273.db2.gz VZTDGBUVHNCKOZ-AWEZNQCLSA-N 1 2 297.399 0.742 20 30 CCEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000489729912 332066274 /nfs/dbraw/zinc/06/62/74/332066274.db2.gz VZTDGBUVHNCKOZ-AWEZNQCLSA-N 1 2 297.399 0.742 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000490539300 332090886 /nfs/dbraw/zinc/09/08/86/332090886.db2.gz GTQLQJMFMYSLMB-JTQLQIEISA-N 1 2 258.325 0.281 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000490539300 332090887 /nfs/dbraw/zinc/09/08/87/332090887.db2.gz GTQLQJMFMYSLMB-JTQLQIEISA-N 1 2 258.325 0.281 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000490675995 332102430 /nfs/dbraw/zinc/10/24/30/332102430.db2.gz GGTUTYKYRDBBKD-UHFFFAOYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000490675995 332102431 /nfs/dbraw/zinc/10/24/31/332102431.db2.gz GGTUTYKYRDBBKD-UHFFFAOYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000490713175 332107208 /nfs/dbraw/zinc/10/72/08/332107208.db2.gz ITBHQKCVQQLAQV-AWEZNQCLSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000490780246 332115076 /nfs/dbraw/zinc/11/50/76/332115076.db2.gz HNOPKYLXCWQFQE-SNVBAGLBSA-N 1 2 279.340 0.460 20 30 CCEDLO C#CC[N@H+](CC)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000490780246 332115078 /nfs/dbraw/zinc/11/50/78/332115078.db2.gz HNOPKYLXCWQFQE-SNVBAGLBSA-N 1 2 279.340 0.460 20 30 CCEDLO C#CC[N@@H+](CCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000490838782 332119119 /nfs/dbraw/zinc/11/91/19/332119119.db2.gz DMKAHTAOHCYMEK-LLVKDONJSA-N 1 2 273.354 0.062 20 30 CCEDLO C#CC[N@H+](CCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000490838782 332119120 /nfs/dbraw/zinc/11/91/20/332119120.db2.gz DMKAHTAOHCYMEK-LLVKDONJSA-N 1 2 273.354 0.062 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000491067538 332144603 /nfs/dbraw/zinc/14/46/03/332144603.db2.gz JAQBORJKVNCWPM-CQSZACIVSA-N 1 2 275.352 0.538 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000491067538 332144604 /nfs/dbraw/zinc/14/46/04/332144604.db2.gz JAQBORJKVNCWPM-CQSZACIVSA-N 1 2 275.352 0.538 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N(C)CC(F)(F)F)CC1 ZINC000491096284 332149022 /nfs/dbraw/zinc/14/90/22/332149022.db2.gz QWYZVCRDCUHGLL-UHFFFAOYSA-N 1 2 263.263 0.851 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000491252144 332174127 /nfs/dbraw/zinc/17/41/27/332174127.db2.gz FUHWWLFRTDGBDP-GFCCVEGCSA-N 1 2 255.277 0.809 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H](C(F)F)CC2=O)CC1 ZINC000491633322 332255189 /nfs/dbraw/zinc/25/51/89/332255189.db2.gz PWYVEUTXQVVVOM-LLVKDONJSA-N 1 2 271.311 0.308 20 30 CCEDLO C#CC[N@@H+](CCNS(=O)(=O)CCCOC)C1CC1 ZINC000491743040 332321466 /nfs/dbraw/zinc/32/14/66/332321466.db2.gz KJRNSXRNIOMBLP-UHFFFAOYSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@H+](CCNS(=O)(=O)CCCOC)C1CC1 ZINC000491743040 332321468 /nfs/dbraw/zinc/32/14/68/332321468.db2.gz KJRNSXRNIOMBLP-UHFFFAOYSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CCNC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000491804474 332358317 /nfs/dbraw/zinc/35/83/17/332358317.db2.gz LLZFZNLFGGABHC-UHFFFAOYSA-N 1 2 269.308 0.804 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000491810723 332363194 /nfs/dbraw/zinc/36/31/94/332363194.db2.gz AHXKEXGZQWRWOB-ZWNOBZJWSA-N 1 2 252.289 0.571 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000491810723 332363195 /nfs/dbraw/zinc/36/31/95/332363195.db2.gz AHXKEXGZQWRWOB-ZWNOBZJWSA-N 1 2 252.289 0.571 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)COC)n1 ZINC000491815427 332366383 /nfs/dbraw/zinc/36/63/83/332366383.db2.gz ULIPJYZZLNSRMC-CYBMUJFWSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)COC)n1 ZINC000491815427 332366384 /nfs/dbraw/zinc/36/63/84/332366384.db2.gz ULIPJYZZLNSRMC-CYBMUJFWSA-N 1 2 265.357 1.000 20 30 CCEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC000517129385 333093137 /nfs/dbraw/zinc/09/31/37/333093137.db2.gz KXMQNWGSNXKLQC-SNVBAGLBSA-N 1 2 285.779 0.369 20 30 CCEDLO Cn1cc(Cl)c(CNC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000517129385 333093138 /nfs/dbraw/zinc/09/31/38/333093138.db2.gz KXMQNWGSNXKLQC-SNVBAGLBSA-N 1 2 285.779 0.369 20 30 CCEDLO Cn1cc(Cl)c(CNC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000517129385 333093139 /nfs/dbraw/zinc/09/31/39/333093139.db2.gz KXMQNWGSNXKLQC-SNVBAGLBSA-N 1 2 285.779 0.369 20 30 CCEDLO CCn1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000572529688 333384359 /nfs/dbraw/zinc/38/43/59/333384359.db2.gz QQCVIJMFCHCAFP-CYBMUJFWSA-N 1 2 263.345 0.406 20 30 CCEDLO COC(=O)C[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000134034852 334078206 /nfs/dbraw/zinc/07/82/06/334078206.db2.gz SUQBRNAEKJFGKQ-UHFFFAOYSA-N 1 2 253.302 0.044 20 30 CCEDLO COC(=O)C[N@@H+](CC(=O)NCC#N)C1CCCC1 ZINC000134034852 334078208 /nfs/dbraw/zinc/07/82/08/334078208.db2.gz SUQBRNAEKJFGKQ-UHFFFAOYSA-N 1 2 253.302 0.044 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549409058 334193121 /nfs/dbraw/zinc/19/31/21/334193121.db2.gz KOBQRYQWWOETDP-QMMMGPOBSA-N 1 2 277.271 0.312 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549409058 334193122 /nfs/dbraw/zinc/19/31/22/334193122.db2.gz KOBQRYQWWOETDP-QMMMGPOBSA-N 1 2 277.271 0.312 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249556708 334336482 /nfs/dbraw/zinc/33/64/82/334336482.db2.gz KBFCUJXYGDLPGS-XQQFMLRXSA-N 1 2 294.399 0.580 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249556708 334336484 /nfs/dbraw/zinc/33/64/84/334336484.db2.gz KBFCUJXYGDLPGS-XQQFMLRXSA-N 1 2 294.399 0.580 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249570458 334337002 /nfs/dbraw/zinc/33/70/02/334337002.db2.gz OCMZSBKESSNDJB-QWHCGFSZSA-N 1 2 279.384 0.773 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249570458 334337003 /nfs/dbraw/zinc/33/70/03/334337003.db2.gz OCMZSBKESSNDJB-QWHCGFSZSA-N 1 2 279.384 0.773 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249583416 334337275 /nfs/dbraw/zinc/33/72/75/334337275.db2.gz SAVSVEBCJWRQLZ-LSDHHAIUSA-N 1 2 297.443 0.798 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249583416 334337277 /nfs/dbraw/zinc/33/72/77/334337277.db2.gz SAVSVEBCJWRQLZ-LSDHHAIUSA-N 1 2 297.443 0.798 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000250103065 334342947 /nfs/dbraw/zinc/34/29/47/334342947.db2.gz ZQXNJOSGROATQF-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000250103065 334342949 /nfs/dbraw/zinc/34/29/49/334342949.db2.gz ZQXNJOSGROATQF-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000252352715 334378639 /nfs/dbraw/zinc/37/86/39/334378639.db2.gz MIURHEOMJZVWNW-AVGNSLFASA-N 1 2 296.371 0.030 20 30 CCEDLO COc1c(C)c[nH+]c(Cn2c(=O)[nH]cc(C#N)c2=O)c1C ZINC000576990195 335274717 /nfs/dbraw/zinc/27/47/17/335274717.db2.gz QKUKBOFJJBWHTB-UHFFFAOYSA-N 1 2 286.291 0.477 20 30 CCEDLO CCOCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000578288632 335595306 /nfs/dbraw/zinc/59/53/06/335595306.db2.gz GGEUAAKTBIYVKM-UHFFFAOYSA-N 1 2 291.351 0.589 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000578480797 335639326 /nfs/dbraw/zinc/63/93/26/335639326.db2.gz ZGXIKVARBBFTBZ-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO CC[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000579902680 335918943 /nfs/dbraw/zinc/91/89/43/335918943.db2.gz MFDCISOGVXQXQT-SECBINFHSA-N 1 2 256.269 0.694 20 30 CCEDLO N#Cc1ccnc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000581472507 336085692 /nfs/dbraw/zinc/08/56/92/336085692.db2.gz MVXOXIRLSUGKBZ-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccnc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000581472507 336085693 /nfs/dbraw/zinc/08/56/93/336085693.db2.gz MVXOXIRLSUGKBZ-BETUJISGSA-N 1 2 286.335 0.546 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCO1 ZINC000329106888 533761315 /nfs/dbraw/zinc/76/13/15/533761315.db2.gz OWVNCXKEZCTXAA-CHWSQXEVSA-N 1 2 285.388 0.732 20 30 CCEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nncn1C ZINC000494792487 533824707 /nfs/dbraw/zinc/82/47/07/533824707.db2.gz HOIMRIXOYGUSBO-JTQLQIEISA-N 1 2 284.323 0.976 20 30 CCEDLO Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425262495 534031926 /nfs/dbraw/zinc/03/19/26/534031926.db2.gz RTHTYZUQLZTTIC-AAEUAGOBSA-N 1 2 261.325 0.741 20 30 CCEDLO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c(C#N)c[nH+]1 ZINC000425245878 534032639 /nfs/dbraw/zinc/03/26/39/534032639.db2.gz XFLFQOCBDXLWCY-UHFFFAOYSA-N 1 2 272.268 0.900 20 30 CCEDLO O=C(NC1CN(C(=O)NCC[NH+]2CCOCC2)C1)C1CC1 ZINC000330235514 534750184 /nfs/dbraw/zinc/75/01/84/534750184.db2.gz YUGKYSYGLGKBAB-UHFFFAOYSA-N 1 2 296.371 0.283 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000358398689 534807255 /nfs/dbraw/zinc/80/72/55/534807255.db2.gz BBWQGPLYYBNQMP-ZDUSSCGKSA-N 1 2 286.335 0.124 20 30 CCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000358398689 534807260 /nfs/dbraw/zinc/80/72/60/534807260.db2.gz BBWQGPLYYBNQMP-ZDUSSCGKSA-N 1 2 286.335 0.124 20 30 CCEDLO C=C[C@H](O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000666420651 545122068 /nfs/dbraw/zinc/12/20/68/545122068.db2.gz IICNUJOHXPSBTC-LBPRGKRZSA-N 1 2 261.325 0.714 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667252351 545142392 /nfs/dbraw/zinc/14/23/92/545142392.db2.gz GKIKFLKEJCVOEE-WDEREUQCSA-N 1 2 266.345 0.965 20 30 CCEDLO CCNC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425246585 528146066 /nfs/dbraw/zinc/14/60/66/528146066.db2.gz YDDPHZQNNLBGBH-LBPRGKRZSA-N 1 2 273.340 0.899 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352699662 528847212 /nfs/dbraw/zinc/84/72/12/528847212.db2.gz RWZGPALJZRQWPX-SMDDNHRTSA-N 1 2 280.372 0.203 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352699662 528847219 /nfs/dbraw/zinc/84/72/19/528847219.db2.gz RWZGPALJZRQWPX-SMDDNHRTSA-N 1 2 280.372 0.203 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000679490880 545410267 /nfs/dbraw/zinc/41/02/67/545410267.db2.gz ADWPSLPBBDPMJC-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000679490880 545410268 /nfs/dbraw/zinc/41/02/68/545410268.db2.gz ADWPSLPBBDPMJC-GFCCVEGCSA-N 1 2 271.361 0.209 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]N[C@H](CO)c1ccccc1 ZINC000788469102 581112722 /nfs/dbraw/zinc/11/27/22/581112722.db2.gz NOLUXZYXRFWBEJ-GFCCVEGCSA-N 1 2 287.323 0.725 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc([N+](=O)[O-])ccc2O)N1 ZINC000779803048 581114205 /nfs/dbraw/zinc/11/42/05/581114205.db2.gz MVUNLATVKLRKMF-SSDOTTSWSA-N 1 2 263.257 0.572 20 30 CCEDLO C#CCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790132961 581177775 /nfs/dbraw/zinc/17/77/75/581177775.db2.gz SFHPLYLXGJXGRJ-ZDUSSCGKSA-N 1 2 252.358 0.969 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091090 581219911 /nfs/dbraw/zinc/21/99/11/581219911.db2.gz FRQSGFIZTITHFO-JSGCOSHPSA-N 1 2 288.347 0.970 20 30 CCEDLO COc1nccnc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000793051162 581282381 /nfs/dbraw/zinc/28/23/81/581282381.db2.gz IBCRKFGWGLQIJE-UHFFFAOYSA-N 1 2 296.294 0.907 20 30 CCEDLO COc1nccnc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000793051162 581282383 /nfs/dbraw/zinc/28/23/83/581282383.db2.gz IBCRKFGWGLQIJE-UHFFFAOYSA-N 1 2 296.294 0.907 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781986577 581283987 /nfs/dbraw/zinc/28/39/87/581283987.db2.gz UWBHGKCWIAVWGX-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781986577 581283989 /nfs/dbraw/zinc/28/39/89/581283989.db2.gz UWBHGKCWIAVWGX-LLVKDONJSA-N 1 2 278.274 0.779 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nccn1C ZINC000783531826 581348667 /nfs/dbraw/zinc/34/86/67/581348667.db2.gz MJYCBKRVWHNPRA-SNVBAGLBSA-N 1 2 257.359 0.672 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)nc1 ZINC000765242461 581507518 /nfs/dbraw/zinc/50/75/18/581507518.db2.gz PNTGQBURUNNBLB-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)nc1 ZINC000765242461 581507519 /nfs/dbraw/zinc/50/75/19/581507519.db2.gz PNTGQBURUNNBLB-ZDUSSCGKSA-N 1 2 298.302 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)nc1 ZINC000728864972 581514831 /nfs/dbraw/zinc/51/48/31/581514831.db2.gz VIHAEWADQDEPTI-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)nc1 ZINC000728864972 581514833 /nfs/dbraw/zinc/51/48/33/581514833.db2.gz VIHAEWADQDEPTI-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cn1 ZINC000728867904 581517972 /nfs/dbraw/zinc/51/79/72/581517972.db2.gz QOHOEETXODJKAZ-UHFFFAOYSA-N 1 2 273.336 0.467 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000765524635 581524111 /nfs/dbraw/zinc/52/41/11/581524111.db2.gz DEZOZXYLAKZYJY-UHFFFAOYSA-N 1 2 286.379 0.690 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766942609 581588704 /nfs/dbraw/zinc/58/87/04/581588704.db2.gz ZXVMINVKWCIFLV-UHFFFAOYSA-N 1 2 268.320 0.712 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000729979327 581626584 /nfs/dbraw/zinc/62/65/84/581626584.db2.gz GRHPKMLYVJNUJE-LBPRGKRZSA-N 1 2 283.291 0.632 20 30 CCEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NC[C@H]1CCCO1 ZINC000755520303 581643531 /nfs/dbraw/zinc/64/35/31/581643531.db2.gz BELFJVAACHSMPF-SECBINFHSA-N 1 2 267.358 0.695 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264735 581687881 /nfs/dbraw/zinc/68/78/81/581687881.db2.gz FOOANQSCIUIBCU-LLVKDONJSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264735 581687885 /nfs/dbraw/zinc/68/78/85/581687885.db2.gz FOOANQSCIUIBCU-LLVKDONJSA-N 1 2 281.356 0.335 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2N)CC1 ZINC000757893630 581713297 /nfs/dbraw/zinc/71/32/97/581713297.db2.gz POEXXWGOKWQFSB-UHFFFAOYSA-N 1 2 275.356 0.437 20 30 CCEDLO C=C(Cl)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000736238030 581722549 /nfs/dbraw/zinc/72/25/49/581722549.db2.gz DOIOEZKWKIVBBX-UHFFFAOYSA-N 1 2 261.753 0.312 20 30 CCEDLO C=C(Cl)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000736238030 581722551 /nfs/dbraw/zinc/72/25/51/581722551.db2.gz DOIOEZKWKIVBBX-UHFFFAOYSA-N 1 2 261.753 0.312 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000741289799 581744400 /nfs/dbraw/zinc/74/44/00/581744400.db2.gz DFXHTHBWFZVSFN-SFHVURJKSA-N 1 2 271.386 0.059 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000758741673 581768142 /nfs/dbraw/zinc/76/81/42/581768142.db2.gz HMHWTVCACJMVDU-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000758741673 581768143 /nfs/dbraw/zinc/76/81/43/581768143.db2.gz HMHWTVCACJMVDU-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO O=S1(=O)CC[C@H](NN=Cc2cccc3[nH+]ccn32)C1 ZINC000771095370 581791919 /nfs/dbraw/zinc/79/19/19/581791919.db2.gz ACFUZVKKUKNWLG-JTQLQIEISA-N 1 2 278.337 0.445 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772064863 581841463 /nfs/dbraw/zinc/84/14/63/581841463.db2.gz ZDLBZSLOLUXPID-QWRGUYRKSA-N 1 2 286.397 0.658 20 30 CCEDLO C=CCNC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772064863 581841464 /nfs/dbraw/zinc/84/14/64/581841464.db2.gz ZDLBZSLOLUXPID-QWRGUYRKSA-N 1 2 286.397 0.658 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(CC)[nH]n1 ZINC000732793510 581848515 /nfs/dbraw/zinc/84/85/15/581848515.db2.gz BKCPZIMAEJKXCJ-ZDUSSCGKSA-N 1 2 260.341 0.686 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(CC)[nH]n1 ZINC000732793510 581848520 /nfs/dbraw/zinc/84/85/20/581848520.db2.gz BKCPZIMAEJKXCJ-ZDUSSCGKSA-N 1 2 260.341 0.686 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000760366317 581857005 /nfs/dbraw/zinc/85/70/05/581857005.db2.gz DEMFZIJRBJKGNM-SFHVURJKSA-N 1 2 270.398 0.313 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000737048952 581891785 /nfs/dbraw/zinc/89/17/85/581891785.db2.gz HOAFDYTWSLIRFZ-JTQLQIEISA-N 1 2 261.753 0.759 20 30 CCEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000737048952 581891786 /nfs/dbraw/zinc/89/17/86/581891786.db2.gz HOAFDYTWSLIRFZ-JTQLQIEISA-N 1 2 261.753 0.759 20 30 CCEDLO C#CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000733337602 581901941 /nfs/dbraw/zinc/90/19/41/581901941.db2.gz HMUVWCURVQCPMQ-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO C=CCN1CC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762187562 581934592 /nfs/dbraw/zinc/93/45/92/581934592.db2.gz AUOXMBOYKODUHC-JTQLQIEISA-N 1 2 260.297 0.648 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000747424775 581940124 /nfs/dbraw/zinc/94/01/24/581940124.db2.gz HIBIIBZELYYQHV-AAEUAGOBSA-N 1 2 268.382 0.068 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000747424775 581940127 /nfs/dbraw/zinc/94/01/27/581940127.db2.gz HIBIIBZELYYQHV-AAEUAGOBSA-N 1 2 268.382 0.068 20 30 CCEDLO CCOC(=O)N1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000748307657 581968829 /nfs/dbraw/zinc/96/88/29/581968829.db2.gz OJWYFWDNDFELCC-UHFFFAOYSA-N 1 2 282.344 0.180 20 30 CCEDLO CCOC(=O)N1CCC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000748307657 581968830 /nfs/dbraw/zinc/96/88/30/581968830.db2.gz OJWYFWDNDFELCC-UHFFFAOYSA-N 1 2 282.344 0.180 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000748543105 581979246 /nfs/dbraw/zinc/97/92/46/581979246.db2.gz YSQWMSALPRYIAT-UHFFFAOYSA-N 1 2 282.347 0.814 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000775560475 582028914 /nfs/dbraw/zinc/02/89/14/582028914.db2.gz TZDDGADPFXYLER-UHFFFAOYSA-N 1 2 276.315 0.092 20 30 CCEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000764201372 582036176 /nfs/dbraw/zinc/03/61/76/582036176.db2.gz KCPAVMNISSSUGN-SMDDNHRTSA-N 1 2 282.388 0.497 20 30 CCEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000764201372 582036179 /nfs/dbraw/zinc/03/61/79/582036179.db2.gz KCPAVMNISSSUGN-SMDDNHRTSA-N 1 2 282.388 0.497 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C1CC1 ZINC000750879699 582062369 /nfs/dbraw/zinc/06/23/69/582062369.db2.gz VZJWXOYRYUOARK-WFASDCNBSA-N 1 2 299.378 0.644 20 30 CCEDLO CN1C(=O)CN(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000768382837 582106126 /nfs/dbraw/zinc/10/61/26/582106126.db2.gz XJBLJELXZKLIBM-UHFFFAOYSA-N 1 2 257.253 0.562 20 30 CCEDLO C#CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000899167137 612945383 /nfs/dbraw/zinc/94/53/83/612945383.db2.gz JDYVCROQSDQEBI-UHFFFAOYSA-N 1 2 263.385 0.638 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000883143415 612947694 /nfs/dbraw/zinc/94/76/94/612947694.db2.gz KDHBOTNYSZHTNL-JTQLQIEISA-N 1 2 250.277 0.638 20 30 CCEDLO C#CCSCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000896187866 613013152 /nfs/dbraw/zinc/01/31/52/613013152.db2.gz UGDXDYAVOYNUTQ-NWDGAFQWSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300892 612948117 /nfs/dbraw/zinc/94/81/17/612948117.db2.gz JFTYWPSOTBGUPZ-KOLCDFICSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880300892 612948118 /nfs/dbraw/zinc/94/81/18/612948118.db2.gz JFTYWPSOTBGUPZ-KOLCDFICSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000883336385 612948297 /nfs/dbraw/zinc/94/82/97/612948297.db2.gz MMBDPZODTYEOCS-NEPJUHHUSA-N 1 2 283.347 0.462 20 30 CCEDLO C#CC1(F)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000881940751 612948619 /nfs/dbraw/zinc/94/86/19/612948619.db2.gz MDDQEQALDKFNAK-ZDUSSCGKSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CC1(F)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000881940751 612948620 /nfs/dbraw/zinc/94/86/20/612948620.db2.gz MDDQEQALDKFNAK-ZDUSSCGKSA-N 1 2 280.343 0.814 20 30 CCEDLO C#CCSCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000881926750 613018082 /nfs/dbraw/zinc/01/80/82/613018082.db2.gz KQOOFUCSGWETFK-UHFFFAOYSA-N 1 2 273.383 0.169 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000931145670 612952255 /nfs/dbraw/zinc/95/22/55/612952255.db2.gz NCQPEOZZKZEOCE-UHFFFAOYSA-N 1 2 283.331 0.957 20 30 CCEDLO C#CCC[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859599443 613036057 /nfs/dbraw/zinc/03/60/57/613036057.db2.gz KSRSZXHYHPHBNO-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000859599443 613036059 /nfs/dbraw/zinc/03/60/59/613036059.db2.gz KSRSZXHYHPHBNO-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CC1(O)CN(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000895410778 612955666 /nfs/dbraw/zinc/95/56/66/612955666.db2.gz IVVNJEOVLVHRCM-UHFFFAOYSA-N 1 2 259.309 0.588 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000798345298 613061038 /nfs/dbraw/zinc/06/10/38/613061038.db2.gz ZOFNUEVECQKWJD-LBPRGKRZSA-N 1 2 264.329 0.347 20 30 CCEDLO C#CCN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000914067716 613067299 /nfs/dbraw/zinc/06/72/99/613067299.db2.gz YUQLQPOXTFFHAF-CYBMUJFWSA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCCO1 ZINC000847759314 613092174 /nfs/dbraw/zinc/09/21/74/613092174.db2.gz TUJVTHVFEALSQQ-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000847309474 613104371 /nfs/dbraw/zinc/10/43/71/613104371.db2.gz NYSMEVKYVRPFPV-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000847309474 613104372 /nfs/dbraw/zinc/10/43/72/613104372.db2.gz NYSMEVKYVRPFPV-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[N@@H+](CCCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000119076768 613107535 /nfs/dbraw/zinc/10/75/35/613107535.db2.gz SHAKOICLLGPUEX-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+](CCCOCC)[C@@H]1CCS(=O)(=O)C1 ZINC000119076768 613107537 /nfs/dbraw/zinc/10/75/37/613107537.db2.gz SHAKOICLLGPUEX-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932364120 612950407 /nfs/dbraw/zinc/95/04/07/612950407.db2.gz NCWUKKBUGYNJSR-JQWIXIFHSA-N 1 2 258.325 0.655 20 30 CCEDLO C#CCC1(O)CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000882970212 612974088 /nfs/dbraw/zinc/97/40/88/612974088.db2.gz UIPQTZRJLDHEFB-LBPRGKRZSA-N 1 2 290.367 0.624 20 30 CCEDLO C#CCC1(O)CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000882970212 612974090 /nfs/dbraw/zinc/97/40/90/612974090.db2.gz UIPQTZRJLDHEFB-LBPRGKRZSA-N 1 2 290.367 0.624 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000880479324 612974218 /nfs/dbraw/zinc/97/42/18/612974218.db2.gz SZGXNXFBTVKXHC-SNVBAGLBSA-N 1 2 292.301 0.904 20 30 CCEDLO C#CCC1(O)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000882969454 612974356 /nfs/dbraw/zinc/97/43/56/612974356.db2.gz VRTLUVKPNZABON-UHFFFAOYSA-N 1 2 271.324 0.718 20 30 CCEDLO C#CCCCCCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000900643526 612976769 /nfs/dbraw/zinc/97/67/69/612976769.db2.gz OLGDXUXMYFTZGQ-ZDUSSCGKSA-N 1 2 278.356 0.905 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000806908607 612979057 /nfs/dbraw/zinc/97/90/57/612979057.db2.gz LKKIJINMKXVAOB-UHFFFAOYSA-N 1 2 288.351 0.645 20 30 CCEDLO C#CCOCC[N@@H+](CCOC)Cc1ccn(CC#C)n1 ZINC000851996046 612982172 /nfs/dbraw/zinc/98/21/72/612982172.db2.gz FZTJNZFREKZHLQ-UHFFFAOYSA-N 1 2 275.352 0.615 20 30 CCEDLO C#CCOCC[N@H+](CCOC)Cc1ccn(CC#C)n1 ZINC000851996046 612982173 /nfs/dbraw/zinc/98/21/73/612982173.db2.gz FZTJNZFREKZHLQ-UHFFFAOYSA-N 1 2 275.352 0.615 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000856391903 612988294 /nfs/dbraw/zinc/98/82/94/612988294.db2.gz XRMUBCXNHNHVAQ-CYBMUJFWSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]nc2C)C1 ZINC000951112140 612991349 /nfs/dbraw/zinc/99/13/49/612991349.db2.gz XTNGPPSHAOBALW-UHFFFAOYSA-N 1 2 261.329 0.283 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC000950357169 612993059 /nfs/dbraw/zinc/99/30/59/612993059.db2.gz KHPAYIXIYQYCFS-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435365 612994276 /nfs/dbraw/zinc/99/42/76/612994276.db2.gz GIKMEBRARNEKIW-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000840567935 612998679 /nfs/dbraw/zinc/99/86/79/612998679.db2.gz DVIZZYBVMATAMM-CYBMUJFWSA-N 1 2 282.384 0.594 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921630370 613026567 /nfs/dbraw/zinc/02/65/67/613026567.db2.gz SKZNPYUJZHGIEL-OLZOCXBDSA-N 1 2 288.351 0.344 20 30 CCEDLO C#CC[C@H](COC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899151730 613065902 /nfs/dbraw/zinc/06/59/02/613065902.db2.gz DUCYNEHSBYTMSY-BXUZGUMPSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CC[C@H](COC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899151730 613065903 /nfs/dbraw/zinc/06/59/03/613065903.db2.gz DUCYNEHSBYTMSY-BXUZGUMPSA-N 1 2 290.367 0.945 20 30 CCEDLO C#CCN(C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907682794 613072097 /nfs/dbraw/zinc/07/20/97/613072097.db2.gz STPXDZNOQQGJMI-UHFFFAOYSA-N 1 2 275.352 0.526 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907775333 613078827 /nfs/dbraw/zinc/07/88/27/613078827.db2.gz UPERYUUZIRAIPS-RSKUSDAESA-N 1 2 250.342 0.745 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000972719597 613083769 /nfs/dbraw/zinc/08/37/69/613083769.db2.gz XEDCYNPPCWFXOT-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000972719597 613083770 /nfs/dbraw/zinc/08/37/70/613083770.db2.gz XEDCYNPPCWFXOT-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000972719597 613083771 /nfs/dbraw/zinc/08/37/71/613083771.db2.gz XEDCYNPPCWFXOT-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000972719597 613083772 /nfs/dbraw/zinc/08/37/72/613083772.db2.gz XEDCYNPPCWFXOT-NWDGAFQWSA-N 1 2 287.367 0.076 20 30 CCEDLO C#C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC000812200562 613094716 /nfs/dbraw/zinc/09/47/16/613094716.db2.gz WJWRPMZVBDNKKJ-OLZOCXBDSA-N 1 2 274.324 0.589 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000848493680 613105901 /nfs/dbraw/zinc/10/59/01/613105901.db2.gz PHZJTBIBRDFCNR-BXUZGUMPSA-N 1 2 279.340 0.246 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000848493680 613105902 /nfs/dbraw/zinc/10/59/02/613105902.db2.gz PHZJTBIBRDFCNR-BXUZGUMPSA-N 1 2 279.340 0.246 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950642053 613110559 /nfs/dbraw/zinc/11/05/59/613110559.db2.gz KGSABCXJFUYQBK-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854918137 613110708 /nfs/dbraw/zinc/11/07/08/613110708.db2.gz YYFICVDYLRZIHZ-IJLUTSLNSA-N 1 2 259.309 0.384 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)P(=O)(OCC)OCC ZINC000852162426 613111652 /nfs/dbraw/zinc/11/16/52/613111652.db2.gz JSOGDPVLXYRJAK-VXGBXAGGSA-N 1 2 291.284 0.905 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)P(=O)(OCC)OCC ZINC000852162426 613111653 /nfs/dbraw/zinc/11/16/53/613111653.db2.gz JSOGDPVLXYRJAK-VXGBXAGGSA-N 1 2 291.284 0.905 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C(F)F)CC2)C1 ZINC000941559485 613114461 /nfs/dbraw/zinc/11/44/61/613114461.db2.gz CICHDBXXVGRNRN-UHFFFAOYSA-N 1 2 299.365 0.739 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)=C3CCC3)CC2)C1 ZINC000941404076 613114710 /nfs/dbraw/zinc/11/47/10/613114710.db2.gz QIDRVUZVHKPQSQ-UHFFFAOYSA-N 1 2 287.407 0.948 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000941459505 613115072 /nfs/dbraw/zinc/11/50/72/613115072.db2.gz DRGSAFGQKDESAI-UHFFFAOYSA-N 1 2 297.402 0.691 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H](F)C3)CC2)C1 ZINC000941536668 613115162 /nfs/dbraw/zinc/11/51/62/613115162.db2.gz AQVQBXVYVUJOPN-ZIAGYGMSSA-N 1 2 293.386 0.586 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000885511249 613175898 /nfs/dbraw/zinc/17/58/98/613175898.db2.gz DIVKKSVVLJHNMJ-CHWSQXEVSA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000885511249 613175899 /nfs/dbraw/zinc/17/58/99/613175899.db2.gz DIVKKSVVLJHNMJ-CHWSQXEVSA-N 1 2 286.397 0.182 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cn1 ZINC000804437212 613176382 /nfs/dbraw/zinc/17/63/82/613176382.db2.gz AGKDDXHPJNFWKH-XJKSGUPXSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)C1 ZINC000884227404 613185636 /nfs/dbraw/zinc/18/56/36/613185636.db2.gz PBEGFBGFWHKFCD-QAJFTPDKSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)C1 ZINC000884227404 613185637 /nfs/dbraw/zinc/18/56/37/613185637.db2.gz PBEGFBGFWHKFCD-QAJFTPDKSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)C1 ZINC000884227405 613185840 /nfs/dbraw/zinc/18/58/40/613185840.db2.gz PBEGFBGFWHKFCD-UVARLRKDSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)C1 ZINC000884227405 613185841 /nfs/dbraw/zinc/18/58/41/613185841.db2.gz PBEGFBGFWHKFCD-UVARLRKDSA-N 1 2 299.440 0.540 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000885513845 613192991 /nfs/dbraw/zinc/19/29/91/613192991.db2.gz IBKHFVJSEINHLN-KBPBESRZSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000885513845 613192992 /nfs/dbraw/zinc/19/29/92/613192992.db2.gz IBKHFVJSEINHLN-KBPBESRZSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)C(C)C)C1 ZINC000885514194 613193004 /nfs/dbraw/zinc/19/30/04/613193004.db2.gz SELXOUMALBGXCC-LBPRGKRZSA-N 1 2 273.402 0.259 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)C(C)C)C1 ZINC000885514194 613193005 /nfs/dbraw/zinc/19/30/05/613193005.db2.gz SELXOUMALBGXCC-LBPRGKRZSA-N 1 2 273.402 0.259 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000885511708 613193065 /nfs/dbraw/zinc/19/30/65/613193065.db2.gz LSTKPSDGKLJEJP-JSGCOSHPSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000885511708 613193066 /nfs/dbraw/zinc/19/30/66/613193066.db2.gz LSTKPSDGKLJEJP-JSGCOSHPSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000862996538 613202409 /nfs/dbraw/zinc/20/24/09/613202409.db2.gz MFRAJFZAEJSPOT-GJZGRUSLSA-N 1 2 297.358 0.764 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000862996538 613202410 /nfs/dbraw/zinc/20/24/10/613202410.db2.gz MFRAJFZAEJSPOT-GJZGRUSLSA-N 1 2 297.358 0.764 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CSC)C(=O)OCC ZINC000928284722 613203052 /nfs/dbraw/zinc/20/30/52/613203052.db2.gz POGHDPZBVJRGQZ-NEPJUHHUSA-N 1 2 298.408 0.495 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CSC)C(=O)OCC ZINC000928284722 613203053 /nfs/dbraw/zinc/20/30/53/613203053.db2.gz POGHDPZBVJRGQZ-NEPJUHHUSA-N 1 2 298.408 0.495 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000949288790 613210409 /nfs/dbraw/zinc/21/04/09/613210409.db2.gz BRPGGYPQYWDWEQ-CQSZACIVSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000949288790 613210412 /nfs/dbraw/zinc/21/04/12/613210412.db2.gz BRPGGYPQYWDWEQ-CQSZACIVSA-N 1 2 292.379 0.492 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501501 613211368 /nfs/dbraw/zinc/21/13/68/613211368.db2.gz DQOUGOJCFXAOQD-NFAWXSAZSA-N 1 2 262.353 0.579 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501501 613211369 /nfs/dbraw/zinc/21/13/69/613211369.db2.gz DQOUGOJCFXAOQD-NFAWXSAZSA-N 1 2 262.353 0.579 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CCCO)C2)c1 ZINC000951719216 613211674 /nfs/dbraw/zinc/21/16/74/613211674.db2.gz KJXJTVUMRIRGRM-UHFFFAOYSA-N 1 2 287.363 0.592 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nn2)C1 ZINC000950007073 613297064 /nfs/dbraw/zinc/29/70/64/613297064.db2.gz BDMPTAWJMLVAML-UHFFFAOYSA-N 1 2 263.345 0.538 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc[nH]c2=O)C1 ZINC000950586109 613297349 /nfs/dbraw/zinc/29/73/49/613297349.db2.gz QFHDQASNZLVTGG-UHFFFAOYSA-N 1 2 276.340 0.905 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC000948864588 613321895 /nfs/dbraw/zinc/32/18/95/613321895.db2.gz AHRQAHQBQBAZBC-UHFFFAOYSA-N 1 2 290.367 0.747 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000815061854 613324143 /nfs/dbraw/zinc/32/41/43/613324143.db2.gz JXMUCWAAFDSPPW-GFCCVEGCSA-N 1 2 284.356 0.024 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000815061854 613324144 /nfs/dbraw/zinc/32/41/44/613324144.db2.gz JXMUCWAAFDSPPW-GFCCVEGCSA-N 1 2 284.356 0.024 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000815080679 613325061 /nfs/dbraw/zinc/32/50/61/613325061.db2.gz HVEIEHUGHAMCLR-ZDUSSCGKSA-N 1 2 290.367 0.539 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000815080679 613325063 /nfs/dbraw/zinc/32/50/63/613325063.db2.gz HVEIEHUGHAMCLR-ZDUSSCGKSA-N 1 2 290.367 0.539 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932442365 613329128 /nfs/dbraw/zinc/32/91/28/613329128.db2.gz GFTMESBHDVJPCX-LLVKDONJSA-N 1 2 265.357 0.115 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932442365 613329130 /nfs/dbraw/zinc/32/91/30/613329130.db2.gz GFTMESBHDVJPCX-LLVKDONJSA-N 1 2 265.357 0.115 20 30 CCEDLO C=C(C)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925596915 613346522 /nfs/dbraw/zinc/34/65/22/613346522.db2.gz VDUYPWPSCRJXDT-GFCCVEGCSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000845607850 613353100 /nfs/dbraw/zinc/35/31/00/613353100.db2.gz BNTBACJAXJYWLN-CHWSQXEVSA-N 1 2 283.372 0.999 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883143695 613354895 /nfs/dbraw/zinc/35/48/95/613354895.db2.gz SHBCQLZOKICBNU-NEPJUHHUSA-N 1 2 266.345 0.898 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000849964287 613356536 /nfs/dbraw/zinc/35/65/36/613356536.db2.gz JNROTXUKOZJZPM-GXTWGEPZSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000849964287 613356537 /nfs/dbraw/zinc/35/65/37/613356537.db2.gz JNROTXUKOZJZPM-GXTWGEPZSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336653 613357630 /nfs/dbraw/zinc/35/76/30/613357630.db2.gz RDOYJXAJOGANQP-BFHYXJOUSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCO)C1 ZINC000952446280 613360848 /nfs/dbraw/zinc/36/08/48/613360848.db2.gz DGKJGBROGQWMMI-KBPBESRZSA-N 1 2 282.384 0.493 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCNC2=O)C1 ZINC000970265041 613371634 /nfs/dbraw/zinc/37/16/34/613371634.db2.gz MMARGNSJBJEUEU-MWLCHTKSSA-N 1 2 285.775 0.312 20 30 CCEDLO C=C(Cl)CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787095 613374696 /nfs/dbraw/zinc/37/46/96/613374696.db2.gz HQGFKMADJCAUMU-UHFFFAOYSA-N 1 2 268.748 0.849 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820592 613380063 /nfs/dbraw/zinc/38/00/63/613380063.db2.gz IDMUMPNBXHLFII-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000957820592 613380064 /nfs/dbraw/zinc/38/00/64/613380064.db2.gz IDMUMPNBXHLFII-CMPLNLGQSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ocnc2C)[C@H](O)C1 ZINC000957960019 613380421 /nfs/dbraw/zinc/38/04/21/613380421.db2.gz AUNXPEMDRVOUFZ-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ocnc2C)[C@H](O)C1 ZINC000957960019 613380422 /nfs/dbraw/zinc/38/04/22/613380422.db2.gz AUNXPEMDRVOUFZ-GHMZBOCLSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795791 613412416 /nfs/dbraw/zinc/41/24/16/613412416.db2.gz VKYQOUXDEWQEIW-GXSJLCMTSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795791 613412420 /nfs/dbraw/zinc/41/24/20/613412420.db2.gz VKYQOUXDEWQEIW-GXSJLCMTSA-N 1 2 293.323 0.795 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)C(=O)OC ZINC000878506812 613419558 /nfs/dbraw/zinc/41/95/58/613419558.db2.gz AXXHLCBLZHUIRQ-MXWKQRLJSA-N 1 2 254.330 0.608 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000845636057 613444473 /nfs/dbraw/zinc/44/44/73/613444473.db2.gz SMNKXEMACBHVGG-CHWSQXEVSA-N 1 2 283.372 0.999 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000845637057 613445759 /nfs/dbraw/zinc/44/57/59/613445759.db2.gz VTWIUPQYQPYJDY-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000845637057 613445762 /nfs/dbraw/zinc/44/57/62/613445762.db2.gz VTWIUPQYQPYJDY-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892600701 613448927 /nfs/dbraw/zinc/44/89/27/613448927.db2.gz VEMKQRRYHZEOEE-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892600701 613448929 /nfs/dbraw/zinc/44/89/29/613448929.db2.gz VEMKQRRYHZEOEE-LLVKDONJSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC(C)(C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000891896554 613449020 /nfs/dbraw/zinc/44/90/20/613449020.db2.gz PCPMBUFOFWIHSC-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C=CCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000899592783 613457932 /nfs/dbraw/zinc/45/79/32/613457932.db2.gz ASXUUZCLVDOTBZ-UHFFFAOYSA-N 1 2 263.341 0.892 20 30 CCEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000931749797 613459424 /nfs/dbraw/zinc/45/94/24/613459424.db2.gz BSWPIYBNJNZREJ-UHFFFAOYSA-N 1 2 276.340 0.818 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC000941515633 613529927 /nfs/dbraw/zinc/52/99/27/613529927.db2.gz AKULXAIMUFEFSP-OAHLLOKOSA-N 1 2 295.402 0.832 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913467636 613578999 /nfs/dbraw/zinc/57/89/99/613578999.db2.gz HAIYHSDHNDPTLE-TZMCWYRMSA-N 1 2 292.383 0.874 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000842240119 613587625 /nfs/dbraw/zinc/58/76/25/613587625.db2.gz NOZIPFFSUKSNTG-SDDRHHMPSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000842240119 613587629 /nfs/dbraw/zinc/58/76/29/613587629.db2.gz NOZIPFFSUKSNTG-SDDRHHMPSA-N 1 2 281.356 0.592 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCc1c[nH+]cn1C ZINC000876306057 613588709 /nfs/dbraw/zinc/58/87/09/613588709.db2.gz ZETVWKNNZQYEMN-SNVBAGLBSA-N 1 2 252.318 0.546 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](OC)CC1=O)[C@H](C)COC ZINC000853533946 613651088 /nfs/dbraw/zinc/65/10/88/613651088.db2.gz FGLIQBDWOARLMX-NEPJUHHUSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](OC)CC1=O)[C@H](C)COC ZINC000853533946 613651091 /nfs/dbraw/zinc/65/10/91/613651091.db2.gz FGLIQBDWOARLMX-NEPJUHHUSA-N 1 2 256.346 0.714 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(=O)n(C)o2)C1 ZINC000949978153 613656379 /nfs/dbraw/zinc/65/63/79/613656379.db2.gz BQZBIWPNSIZNMZ-UHFFFAOYSA-N 1 2 265.313 0.311 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000949363653 613711741 /nfs/dbraw/zinc/71/17/41/613711741.db2.gz HVLJEPUFGKUROV-BJJPWKGXSA-N 1 2 262.353 0.740 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 ZINC000950618012 613712390 /nfs/dbraw/zinc/71/23/90/613712390.db2.gz ODHMMKGLAUOWKQ-NEPJUHHUSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000950536754 613713221 /nfs/dbraw/zinc/71/32/21/613713221.db2.gz AMYRECFESLKNFR-NEPJUHHUSA-N 1 2 265.357 0.218 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCOCC3(CC3)C2)C1=O ZINC000840044216 613720340 /nfs/dbraw/zinc/72/03/40/613720340.db2.gz PPZBDNXJSKHRET-UHFFFAOYSA-N 1 2 265.357 0.980 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCOCC3(CC3)C2)C1=O ZINC000840044216 613720342 /nfs/dbraw/zinc/72/03/42/613720342.db2.gz PPZBDNXJSKHRET-UHFFFAOYSA-N 1 2 265.357 0.980 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000972311854 613725673 /nfs/dbraw/zinc/72/56/73/613725673.db2.gz PSTFRDDTJMYZOB-OAHLLOKOSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000972311854 613725675 /nfs/dbraw/zinc/72/56/75/613725675.db2.gz PSTFRDDTJMYZOB-OAHLLOKOSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC3(C2)OCCO3)C1=O ZINC000799133454 613777681 /nfs/dbraw/zinc/77/76/81/613777681.db2.gz DBOLPZFNWJGSBK-NSHDSACASA-N 1 2 252.314 0.222 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC3(C2)OCCO3)C1=O ZINC000799133454 613777682 /nfs/dbraw/zinc/77/76/82/613777682.db2.gz DBOLPZFNWJGSBK-NSHDSACASA-N 1 2 252.314 0.222 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002252 613851246 /nfs/dbraw/zinc/85/12/46/613851246.db2.gz ZDQQHALTULOPFT-NXEZZACHSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002252 613851247 /nfs/dbraw/zinc/85/12/47/613851247.db2.gz ZDQQHALTULOPFT-NXEZZACHSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=S)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905656813 613857526 /nfs/dbraw/zinc/85/75/26/613857526.db2.gz RMDPYKYCENLBNT-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1cnn(C)c1 ZINC000884392104 613877380 /nfs/dbraw/zinc/87/73/80/613877380.db2.gz SQPSDKJJDUQSLK-NSHDSACASA-N 1 2 280.328 0.220 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@H](C)CO)CC1 ZINC000884386805 613877533 /nfs/dbraw/zinc/87/75/33/613877533.db2.gz APAURZMSSXCQDH-YPMHNXCESA-N 1 2 298.383 0.300 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000884170790 613877598 /nfs/dbraw/zinc/87/75/98/613877598.db2.gz GBYPFNPDHIYDDZ-RWMBFGLXSA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CCOC)CC1 ZINC000884428912 613877669 /nfs/dbraw/zinc/87/76/69/613877669.db2.gz RBJHGIRFZLCCCI-ZDUSSCGKSA-N 1 2 298.383 0.708 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000884170788 613877685 /nfs/dbraw/zinc/87/76/85/613877685.db2.gz GBYPFNPDHIYDDZ-AVGNSLFASA-N 1 2 296.367 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1CC ZINC000884092579 613877735 /nfs/dbraw/zinc/87/77/35/613877735.db2.gz ISPPZXMYGCJMND-MNOVXSKESA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CCF)C1 ZINC000884439278 613877797 /nfs/dbraw/zinc/87/77/97/613877797.db2.gz AFIVVNRMXZDXSU-MNOVXSKESA-N 1 2 288.319 0.020 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](C(C)C)C1 ZINC000884313901 613877845 /nfs/dbraw/zinc/87/78/45/613877845.db2.gz SDBPMHBZZPXQSW-RYUDHWBXSA-N 1 2 284.356 0.316 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](OC)CC[C@H]1C ZINC000884462022 613877923 /nfs/dbraw/zinc/87/79/23/613877923.db2.gz SWTGYNXOPMFQPZ-WOPDTQHZSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C(F)F)CC1 ZINC000884442332 613877987 /nfs/dbraw/zinc/87/79/87/613877987.db2.gz BOCNMBRGAULHSQ-ZETCQYMHSA-N 1 2 262.256 0.347 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC=CCC1 ZINC000884381217 613878740 /nfs/dbraw/zinc/87/87/40/613878740.db2.gz YKUYTPQJFDLLCJ-QWRGUYRKSA-N 1 2 252.314 0.658 20 30 CCEDLO C=CCONC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000837048865 613883210 /nfs/dbraw/zinc/88/32/10/613883210.db2.gz ZMTHEVAADUFPKV-UHFFFAOYSA-N 1 2 290.367 0.828 20 30 CCEDLO C=CCONC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000838709789 613883323 /nfs/dbraw/zinc/88/33/23/613883323.db2.gz KKTRANRDROBXQJ-LLVKDONJSA-N 1 2 257.334 0.466 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000854117570 613884018 /nfs/dbraw/zinc/88/40/18/613884018.db2.gz HHUOOQOIRIEWJA-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000854117570 613884019 /nfs/dbraw/zinc/88/40/19/613884019.db2.gz HHUOOQOIRIEWJA-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014319 613929152 /nfs/dbraw/zinc/92/91/52/613929152.db2.gz FAUJUINTQHZHEO-KGLIPLIRSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886014319 613929154 /nfs/dbraw/zinc/92/91/54/613929154.db2.gz FAUJUINTQHZHEO-KGLIPLIRSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]CCC(N)=O)C1 ZINC000819230210 613982385 /nfs/dbraw/zinc/98/23/85/613982385.db2.gz SDTNFPVONCUNFH-VHSXEESVSA-N 1 2 282.344 0.210 20 30 CCEDLO CC(C)OCCN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801924976 614013902 /nfs/dbraw/zinc/01/39/02/614013902.db2.gz DBVAVANPCBAXJR-CQSZACIVSA-N 1 2 269.389 0.958 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000837548164 615172507 /nfs/dbraw/zinc/17/25/07/615172507.db2.gz XRBDRZHDIIOJCJ-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000837548164 615172510 /nfs/dbraw/zinc/17/25/10/615172510.db2.gz XRBDRZHDIIOJCJ-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO CCOC(=O)c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895161014 615182463 /nfs/dbraw/zinc/18/24/63/615182463.db2.gz CRAMJIZEHWGPGM-JTQLQIEISA-N 1 2 282.296 0.926 20 30 CCEDLO CCOCCNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650874 615258174 /nfs/dbraw/zinc/25/81/74/615258174.db2.gz CHNNYQDQJKSKCB-UHFFFAOYSA-N 1 2 296.367 0.477 20 30 CCEDLO CC[C@@](C)(C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865078185 615588023 /nfs/dbraw/zinc/58/80/23/615588023.db2.gz NXFUTTBTRWCYBH-IHVVCDCBSA-N 1 2 251.330 0.683 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)CC#N ZINC000874710370 615926282 /nfs/dbraw/zinc/92/62/82/615926282.db2.gz PEVANZTVEFEIHU-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)CC#N ZINC000874710370 615926284 /nfs/dbraw/zinc/92/62/84/615926284.db2.gz PEVANZTVEFEIHU-RYUDHWBXSA-N 1 2 253.346 0.763 20 30 CCEDLO CN(C)c1cc(NC2CCN(CC#N)CC2)[nH+]cn1 ZINC000892402664 616009853 /nfs/dbraw/zinc/00/98/53/616009853.db2.gz FLHULOHDIYDGCB-UHFFFAOYSA-N 1 2 260.345 0.942 20 30 CCEDLO CN(C)c1cc(NC2CCN(CC#N)CC2)nc[nH+]1 ZINC000892402664 616009854 /nfs/dbraw/zinc/00/98/54/616009854.db2.gz FLHULOHDIYDGCB-UHFFFAOYSA-N 1 2 260.345 0.942 20 30 CCEDLO CN(Cc1nnc[nH]1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876768446 616103990 /nfs/dbraw/zinc/10/39/90/616103990.db2.gz VRJQOZJWVWXRGH-CQSZACIVSA-N 1 2 296.334 0.522 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000880083376 616121535 /nfs/dbraw/zinc/12/15/35/616121535.db2.gz DCGZNBOYPWVFSG-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000880083376 616121536 /nfs/dbraw/zinc/12/15/36/616121536.db2.gz DCGZNBOYPWVFSG-UHFFFAOYSA-N 1 2 271.317 0.418 20 30 CCEDLO C[NH+]1CCN(c2ncc(C=NN3CCC3)cn2)CC1 ZINC000872397049 616247727 /nfs/dbraw/zinc/24/77/27/616247727.db2.gz RMEYENHVCDOZRF-UHFFFAOYSA-N 1 2 260.345 0.268 20 30 CCEDLO COC(=O)/C=C(/C)C[NH+]1CCN(CCC#N)CC1 ZINC000931551585 616308567 /nfs/dbraw/zinc/30/85/67/616308567.db2.gz YAVXNEQMDUPJRB-BENRWUELSA-N 1 2 251.330 0.637 20 30 CCEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(CCC#N)CC2)C1(F)F ZINC000895462191 616502907 /nfs/dbraw/zinc/50/29/07/616502907.db2.gz SYGHYUQKJGYLMJ-MNOVXSKESA-N 1 2 287.310 0.572 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC000846618174 616543229 /nfs/dbraw/zinc/54/32/29/616543229.db2.gz UMTKQBKQDCEHAS-UHFFFAOYSA-N 1 2 280.368 0.207 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000871342677 616545961 /nfs/dbraw/zinc/54/59/61/616545961.db2.gz SCZDSQWEEKMPMJ-NSHDSACASA-N 1 2 290.323 0.361 20 30 CCEDLO CNC(=O)C[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877642754 616590545 /nfs/dbraw/zinc/59/05/45/616590545.db2.gz SVSLNNQAZWTPSP-UHFFFAOYSA-N 1 2 260.341 0.802 20 30 CCEDLO CNC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877642754 616590547 /nfs/dbraw/zinc/59/05/47/616590547.db2.gz SVSLNNQAZWTPSP-UHFFFAOYSA-N 1 2 260.341 0.802 20 30 CCEDLO COC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000802310489 616745423 /nfs/dbraw/zinc/74/54/23/616745423.db2.gz WDTHKOFJTKPZJL-TUAOUCFPSA-N 1 2 299.371 0.342 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126399 616845443 /nfs/dbraw/zinc/84/54/43/616845443.db2.gz TVMNGVIVXQZFMY-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126399 616845449 /nfs/dbraw/zinc/84/54/49/616845449.db2.gz TVMNGVIVXQZFMY-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000800410613 617021728 /nfs/dbraw/zinc/02/17/28/617021728.db2.gz YHUUDFFTGDYLKF-UHFFFAOYSA-N 1 2 288.351 0.959 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cncc(O)c2)CC1 ZINC000179495892 623260673 /nfs/dbraw/zinc/26/06/73/623260673.db2.gz GKNPSRHHAOIELP-ONEGZZNKSA-N 1 2 271.320 0.578 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000180343344 623591844 /nfs/dbraw/zinc/59/18/44/623591844.db2.gz HTYDTZGRTSZNIE-CQSZACIVSA-N 1 2 282.384 0.332 20 30 CCEDLO O=C(/C=C\C[NH+]1CCOCC1)NCC#C[C@H]1CCCCO1 ZINC000891116184 624729592 /nfs/dbraw/zinc/72/95/92/624729592.db2.gz KSAYTGOWQZYTPC-IJVDHGTGSA-N 1 2 292.379 0.564 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000971212481 624828393 /nfs/dbraw/zinc/82/83/93/624828393.db2.gz ZMIHGRFFKPIUQF-JQWIXIFHSA-N 1 2 262.313 0.867 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000971212481 624828394 /nfs/dbraw/zinc/82/83/94/624828394.db2.gz ZMIHGRFFKPIUQF-JQWIXIFHSA-N 1 2 262.313 0.867 20 30 CCEDLO Cn1nc2c(c1C[NH+]1CCN(CC#N)CC1)CCC2 ZINC000891902123 624990286 /nfs/dbraw/zinc/99/02/86/624990286.db2.gz NXUNJAUOVNUFFU-UHFFFAOYSA-N 1 2 259.357 0.550 20 30 CCEDLO N#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980247990 631005085 /nfs/dbraw/zinc/00/50/85/631005085.db2.gz REYOUVRHVIFERK-MELADBBJSA-N 1 2 287.367 0.623 20 30 CCEDLO N#CCN1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924672 631337583 /nfs/dbraw/zinc/33/75/83/631337583.db2.gz YXFRATWAFFDPCN-UHFFFAOYSA-N 1 2 287.367 0.721 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000967943423 650005304 /nfs/dbraw/zinc/00/53/04/650005304.db2.gz KHQAUMBHZHAQDC-GXSJLCMTSA-N 1 2 289.339 0.797 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@]2(CO)COCC[N@H+]2C)n1 ZINC000895610151 632109024 /nfs/dbraw/zinc/10/90/24/632109024.db2.gz PWLGYYVAMXIDJB-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@]2(CO)COCC[N@@H+]2C)n1 ZINC000895610151 632109035 /nfs/dbraw/zinc/10/90/35/632109035.db2.gz PWLGYYVAMXIDJB-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO C[C@H]1C[NH+](Cc2cnc3n2CCOC3)C[C@H](C)N1CC#N ZINC000895969260 632183228 /nfs/dbraw/zinc/18/32/28/632183228.db2.gz JNBHHEXAUXSFCQ-STQMWFEESA-N 1 2 289.383 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007095463 650065946 /nfs/dbraw/zinc/06/59/46/650065946.db2.gz ASXTXKIZIPOGCI-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001007095463 650065947 /nfs/dbraw/zinc/06/59/47/650065947.db2.gz ASXTXKIZIPOGCI-RYUDHWBXSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007224402 650071613 /nfs/dbraw/zinc/07/16/13/650071613.db2.gz AQWCMFOCUDZMCE-JTQLQIEISA-N 1 2 299.758 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001007224402 650071615 /nfs/dbraw/zinc/07/16/15/650071615.db2.gz AQWCMFOCUDZMCE-JTQLQIEISA-N 1 2 299.758 0.925 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001007312437 650074668 /nfs/dbraw/zinc/07/46/68/650074668.db2.gz OYZADTBBTSCRLN-GFCCVEGCSA-N 1 2 275.356 0.260 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001007312437 650074670 /nfs/dbraw/zinc/07/46/70/650074670.db2.gz OYZADTBBTSCRLN-GFCCVEGCSA-N 1 2 275.356 0.260 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001008307889 650109788 /nfs/dbraw/zinc/10/97/88/650109788.db2.gz ZDGXDIHRBHTFDU-GJZGRUSLSA-N 1 2 295.427 0.862 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001008307889 650109789 /nfs/dbraw/zinc/10/97/89/650109789.db2.gz ZDGXDIHRBHTFDU-GJZGRUSLSA-N 1 2 295.427 0.862 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1[nH+]ccn1C ZINC000989222089 633170068 /nfs/dbraw/zinc/17/00/68/633170068.db2.gz NGDOMJVGQGFLAQ-NWDGAFQWSA-N 1 2 275.356 0.455 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014590625 633557596 /nfs/dbraw/zinc/55/75/96/633557596.db2.gz RKULYVZZDACRDD-JTQLQIEISA-N 1 2 269.736 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014590625 633557600 /nfs/dbraw/zinc/55/76/00/633557600.db2.gz RKULYVZZDACRDD-JTQLQIEISA-N 1 2 269.736 0.221 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(C#N)cn1C ZINC000898886990 633683043 /nfs/dbraw/zinc/68/30/43/633683043.db2.gz IBQMZKCSIDAMKB-SNVBAGLBSA-N 1 2 273.296 0.094 20 30 CCEDLO N#Cc1ccc([C@H](O)C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000899907262 633921019 /nfs/dbraw/zinc/92/10/19/633921019.db2.gz BAGATAAVCBQBJM-OAHLLOKOSA-N 1 2 285.347 0.898 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1CC#N ZINC000947847742 634205866 /nfs/dbraw/zinc/20/58/66/634205866.db2.gz AILWZAJHRJSNBR-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009973593 650175821 /nfs/dbraw/zinc/17/58/21/650175821.db2.gz SGYDNENJJLVBHK-SECBINFHSA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009973593 650175823 /nfs/dbraw/zinc/17/58/23/650175823.db2.gz SGYDNENJJLVBHK-SECBINFHSA-N 1 2 282.731 0.739 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010304954 650198961 /nfs/dbraw/zinc/19/89/61/650198961.db2.gz VMJPRJBRDIENTD-JTQLQIEISA-N 1 2 254.721 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010304954 650198963 /nfs/dbraw/zinc/19/89/63/650198963.db2.gz VMJPRJBRDIENTD-JTQLQIEISA-N 1 2 254.721 0.966 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000911711144 636345980 /nfs/dbraw/zinc/34/59/80/636345980.db2.gz WSQLNKKYZPMFGR-QWRGUYRKSA-N 1 2 275.356 0.705 20 30 CCEDLO Cn1cc([C@H]2CN(C(=O)c3cccc(C#N)n3)CC[NH2+]2)cn1 ZINC000913461401 636814886 /nfs/dbraw/zinc/81/48/86/636814886.db2.gz WGQDATICVFTWMY-CQSZACIVSA-N 1 2 296.334 0.473 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1C#N ZINC000913543216 636841690 /nfs/dbraw/zinc/84/16/90/636841690.db2.gz BZYNIWBMWYKPSX-AWEZNQCLSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1C#N ZINC000913543216 636841694 /nfs/dbraw/zinc/84/16/94/636841694.db2.gz BZYNIWBMWYKPSX-AWEZNQCLSA-N 1 2 273.336 0.615 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993360703 637794720 /nfs/dbraw/zinc/79/47/20/637794720.db2.gz SELLHRMCWOZPKR-YPMHNXCESA-N 1 2 289.383 0.648 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993360703 637794729 /nfs/dbraw/zinc/79/47/29/637794729.db2.gz SELLHRMCWOZPKR-YPMHNXCESA-N 1 2 289.383 0.648 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999534951 638984687 /nfs/dbraw/zinc/98/46/87/638984687.db2.gz IGQKRFCRPQSTLA-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001041280 639212897 /nfs/dbraw/zinc/21/28/97/639212897.db2.gz UOTVYBUTCYDBKY-GFCCVEGCSA-N 1 2 297.786 0.623 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001041280 639212903 /nfs/dbraw/zinc/21/29/03/639212903.db2.gz UOTVYBUTCYDBKY-GFCCVEGCSA-N 1 2 297.786 0.623 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001003606076 639578406 /nfs/dbraw/zinc/57/84/06/639578406.db2.gz HCQJLWVJRDQVPB-GFCCVEGCSA-N 1 2 287.367 0.934 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016415613 639586284 /nfs/dbraw/zinc/58/62/84/639586284.db2.gz WSEKFNBWWAOKCJ-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016415613 639586290 /nfs/dbraw/zinc/58/62/90/639586290.db2.gz WSEKFNBWWAOKCJ-SNVBAGLBSA-N 1 2 279.365 0.727 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001014999420 650513211 /nfs/dbraw/zinc/51/32/11/650513211.db2.gz AMBGVBCZQCZPMN-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001014999420 650513214 /nfs/dbraw/zinc/51/32/14/650513214.db2.gz AMBGVBCZQCZPMN-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)N1CC#N ZINC000922515143 639714741 /nfs/dbraw/zinc/71/47/41/639714741.db2.gz YGOASTQSPWISFA-TXEJJXNPSA-N 1 2 290.371 0.548 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015404243 650563707 /nfs/dbraw/zinc/56/37/07/650563707.db2.gz OYZCAVBXIPEECP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001015404243 650563709 /nfs/dbraw/zinc/56/37/09/650563709.db2.gz OYZCAVBXIPEECP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000801911758 640672622 /nfs/dbraw/zinc/67/26/22/640672622.db2.gz BQWNKFSHTHIVOW-CHWSQXEVSA-N 1 2 281.356 0.238 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657285 650602351 /nfs/dbraw/zinc/60/23/51/650602351.db2.gz NXVIDBJIMQHKHU-SECBINFHSA-N 1 2 284.747 0.682 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657285 650602352 /nfs/dbraw/zinc/60/23/52/650602352.db2.gz NXVIDBJIMQHKHU-SECBINFHSA-N 1 2 284.747 0.682 20 30 CCEDLO N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804334159 640764050 /nfs/dbraw/zinc/76/40/50/640764050.db2.gz ZHHAKDULFLYSHG-HIFRSBDPSA-N 1 2 296.330 0.919 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000806585650 640792807 /nfs/dbraw/zinc/79/28/07/640792807.db2.gz YEKFWGQOHHATCI-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO CS(=O)(=O)CCN[NH+]=C1CCCc2nc(N)sc21 ZINC000814849149 641078201 /nfs/dbraw/zinc/07/82/01/641078201.db2.gz JUFLQZIRWBWPKF-UHFFFAOYSA-N 1 2 288.398 0.400 20 30 CCEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000819047888 641376299 /nfs/dbraw/zinc/37/62/99/641376299.db2.gz RDBYNOBKPAFLOZ-SNVBAGLBSA-N 1 2 290.385 0.492 20 30 CCEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820544651 641515642 /nfs/dbraw/zinc/51/56/42/641515642.db2.gz OJCTVTUHCRSZRT-SNVBAGLBSA-N 1 2 274.280 0.673 20 30 CCEDLO N#CCn1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000824749892 641844453 /nfs/dbraw/zinc/84/44/53/641844453.db2.gz YSGYSVUQZSEMMI-SNVBAGLBSA-N 1 2 270.296 0.804 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1cc(F)cc(F)c1 ZINC000121377409 642116448 /nfs/dbraw/zinc/11/64/48/642116448.db2.gz SSOMQICNOGJNFR-UHFFFAOYSA-N 1 2 273.239 0.575 20 30 CCEDLO NC(CCO)=[NH+]OCc1noc(-c2cccs2)n1 ZINC000121417807 642666724 /nfs/dbraw/zinc/66/67/24/642666724.db2.gz JMQXOXMVPSJMCX-UHFFFAOYSA-N 1 2 268.298 0.969 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NC1(c2ccccc2)CCC1 ZINC000121425636 642669920 /nfs/dbraw/zinc/66/99/20/642669920.db2.gz QTXIDBXUWZSFBK-UHFFFAOYSA-N 1 2 291.351 0.853 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)C#CC1CC1)[NH+]1CCOCC1 ZINC000837397839 642741692 /nfs/dbraw/zinc/74/16/92/642741692.db2.gz BUKDNRVTWZDBQL-NWDGAFQWSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1 ZINC001017345611 650795677 /nfs/dbraw/zinc/79/56/77/650795677.db2.gz YGWFTIMHLLMGGH-OKILXGFUSA-N 1 2 272.352 0.732 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1 ZINC001017345611 650795681 /nfs/dbraw/zinc/79/56/81/650795681.db2.gz YGWFTIMHLLMGGH-OKILXGFUSA-N 1 2 272.352 0.732 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1 ZINC001017406957 650799725 /nfs/dbraw/zinc/79/97/25/650799725.db2.gz YOEJEZKGELFEHI-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1 ZINC001017406957 650799729 /nfs/dbraw/zinc/79/97/29/650799729.db2.gz YOEJEZKGELFEHI-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2n1 ZINC001017602665 650813460 /nfs/dbraw/zinc/81/34/60/650813460.db2.gz ZBPHFVJMTVSQLZ-PHIMTYICSA-N 1 2 296.334 0.275 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2n1 ZINC001017602665 650813462 /nfs/dbraw/zinc/81/34/62/650813462.db2.gz ZBPHFVJMTVSQLZ-PHIMTYICSA-N 1 2 296.334 0.275 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCNC1=O ZINC001017637619 650814992 /nfs/dbraw/zinc/81/49/92/650814992.db2.gz FQXKASGVZCIXMP-HZSPNIEDSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCNC1=O ZINC001017637619 650814993 /nfs/dbraw/zinc/81/49/93/650814993.db2.gz FQXKASGVZCIXMP-HZSPNIEDSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CC ZINC001017699265 650817908 /nfs/dbraw/zinc/81/79/08/650817908.db2.gz XQACPEKWQPMTRT-TXEJJXNPSA-N 1 2 272.352 0.894 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CC ZINC001017699265 650817910 /nfs/dbraw/zinc/81/79/10/650817910.db2.gz XQACPEKWQPMTRT-TXEJJXNPSA-N 1 2 272.352 0.894 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC ZINC001017687876 650818015 /nfs/dbraw/zinc/81/80/15/650818015.db2.gz UUOQWQGTRIXNNG-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC ZINC001017687876 650818017 /nfs/dbraw/zinc/81/80/17/650818017.db2.gz UUOQWQGTRIXNNG-ZNMIVQPWSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CO1 ZINC001017755169 650820860 /nfs/dbraw/zinc/82/08/60/650820860.db2.gz XGTIAKCCNKAANF-IGQOVBAYSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CO1 ZINC001017755169 650820862 /nfs/dbraw/zinc/82/08/62/650820862.db2.gz XGTIAKCCNKAANF-IGQOVBAYSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001017820856 650824963 /nfs/dbraw/zinc/82/49/63/650824963.db2.gz JEGAOZYSWFGSBO-KCLGILNXSA-N 1 2 260.337 0.187 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001017820856 650824965 /nfs/dbraw/zinc/82/49/65/650824965.db2.gz JEGAOZYSWFGSBO-KCLGILNXSA-N 1 2 260.337 0.187 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001017797243 650823152 /nfs/dbraw/zinc/82/31/52/650823152.db2.gz ZOWUPWJXDOJCIR-TXEJJXNPSA-N 1 2 288.351 0.438 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001017797243 650823153 /nfs/dbraw/zinc/82/31/53/650823153.db2.gz ZOWUPWJXDOJCIR-TXEJJXNPSA-N 1 2 288.351 0.438 20 30 CCEDLO N#CCOc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000844949502 643258961 /nfs/dbraw/zinc/25/89/61/643258961.db2.gz QLWOYSKGUNHMBL-ZDUSSCGKSA-N 1 2 292.335 0.661 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCN(O)C1=O ZINC000848133111 643602415 /nfs/dbraw/zinc/60/24/15/643602415.db2.gz ZRIKJTHBWJXTDD-SCZZXKLOSA-N 1 2 266.301 0.085 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCN(O)C1=O ZINC000848133111 643602419 /nfs/dbraw/zinc/60/24/19/643602419.db2.gz ZRIKJTHBWJXTDD-SCZZXKLOSA-N 1 2 266.301 0.085 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCOCC1 ZINC001018347799 650854314 /nfs/dbraw/zinc/85/43/14/650854314.db2.gz XISDSYOGKDOFED-SOUVJXGZSA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCOCC1 ZINC001018347799 650854315 /nfs/dbraw/zinc/85/43/15/650854315.db2.gz XISDSYOGKDOFED-SOUVJXGZSA-N 1 2 291.395 0.016 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CC)C2)CC1 ZINC001018357270 650854564 /nfs/dbraw/zinc/85/45/64/650854564.db2.gz DEFDAROIFDPGGY-AWEZNQCLSA-N 1 2 293.411 0.965 20 30 CCEDLO C#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018877367 650918499 /nfs/dbraw/zinc/91/84/99/650918499.db2.gz ARXYQNHXBYBZDK-JGVFFNPUSA-N 1 2 252.211 0.711 20 30 CCEDLO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001018877367 650918501 /nfs/dbraw/zinc/91/85/01/650918501.db2.gz ARXYQNHXBYBZDK-JGVFFNPUSA-N 1 2 252.211 0.711 20 30 CCEDLO Nc1ccc2c(c1)CCCC2=[NH+]NC1=NCC(=O)N1 ZINC000863176937 645066454 /nfs/dbraw/zinc/06/64/54/645066454.db2.gz GQBILWHPZXJXGZ-UHFFFAOYSA-N 1 2 257.297 0.385 20 30 CCEDLO N#CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCCC1 ZINC000865174936 645335253 /nfs/dbraw/zinc/33/52/53/645335253.db2.gz KSPAJFKPHVWDNK-ONEGZZNKSA-N 1 2 263.341 0.827 20 30 CCEDLO CC(C)(C#N)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870062764 645954834 /nfs/dbraw/zinc/95/48/34/645954834.db2.gz PUSWOIYKWYFMAJ-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO Cc1cc([N-][NH+]=Cc2cnc(N(C)C)n2C)nc(N)[nH+]1 ZINC000872420975 646257794 /nfs/dbraw/zinc/25/77/94/646257794.db2.gz UCADTZQQTIZHSW-UHFFFAOYSA-N 1 2 274.332 0.613 20 30 CCEDLO N#CCC[N@H+](CCC1OCCO1)CCN1CCOCC1 ZINC000124535285 646383656 /nfs/dbraw/zinc/38/36/56/646383656.db2.gz JOLUSVKVYWOMLG-UHFFFAOYSA-N 1 2 283.372 0.297 20 30 CCEDLO N#CCC[N@@H+](CCC1OCCO1)CCN1CCOCC1 ZINC000124535285 646383661 /nfs/dbraw/zinc/38/36/61/646383661.db2.gz JOLUSVKVYWOMLG-UHFFFAOYSA-N 1 2 283.372 0.297 20 30 CCEDLO N#CCCN(CCC1OCCO1)CC[NH+]1CCOCC1 ZINC000124535285 646383664 /nfs/dbraw/zinc/38/36/64/646383664.db2.gz JOLUSVKVYWOMLG-UHFFFAOYSA-N 1 2 283.372 0.297 20 30 CCEDLO C=C(C)C[N@@H+](CC)Cc1nnc2c(=O)n(C)ccn12 ZINC000877935373 646852589 /nfs/dbraw/zinc/85/25/89/646852589.db2.gz JXJZJGKRGILMLW-UHFFFAOYSA-N 1 2 261.329 0.826 20 30 CCEDLO C=C(C)C[N@H+](CC)Cc1nnc2c(=O)n(C)ccn12 ZINC000877935373 646852592 /nfs/dbraw/zinc/85/25/92/646852592.db2.gz JXJZJGKRGILMLW-UHFFFAOYSA-N 1 2 261.329 0.826 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@H+](CCn3cnnn3)CCO2)c1 ZINC000878322677 646893464 /nfs/dbraw/zinc/89/34/64/646893464.db2.gz MRKOMJGPFNCVQB-CQSZACIVSA-N 1 2 284.323 0.618 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@@H+](CCn3cnnn3)CCO2)c1 ZINC000878322677 646893467 /nfs/dbraw/zinc/89/34/67/646893467.db2.gz MRKOMJGPFNCVQB-CQSZACIVSA-N 1 2 284.323 0.618 20 30 CCEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCNC3=O)CC2)cc1 ZINC000879585788 647078897 /nfs/dbraw/zinc/07/88/97/647078897.db2.gz OPTZERVUYNRTTE-AWEZNQCLSA-N 1 2 270.336 0.569 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)N1CC#N ZINC000880455747 647203661 /nfs/dbraw/zinc/20/36/61/647203661.db2.gz BTLWETNMAZVQLX-RYUDHWBXSA-N 1 2 275.356 0.787 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)N1CC#N ZINC000880455747 647203662 /nfs/dbraw/zinc/20/36/62/647203662.db2.gz BTLWETNMAZVQLX-RYUDHWBXSA-N 1 2 275.356 0.787 20 30 CCEDLO Cc1nc(C#N)cc(N(C)CC[NH+]2CCOCC2)n1 ZINC000881909257 647350891 /nfs/dbraw/zinc/35/08/91/647350891.db2.gz WMVPKEUPEITFBZ-UHFFFAOYSA-N 1 2 261.329 0.425 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000887686907 648142431 /nfs/dbraw/zinc/14/24/31/648142431.db2.gz RBRSWQXVSHQTLQ-FZMZJTMJSA-N 1 2 274.324 0.587 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000932151547 649054239 /nfs/dbraw/zinc/05/42/39/649054239.db2.gz ZDZTXOREUFVJEF-AVGNSLFASA-N 1 2 254.330 0.124 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000932151547 649054237 /nfs/dbraw/zinc/05/42/37/649054237.db2.gz ZDZTXOREUFVJEF-AVGNSLFASA-N 1 2 254.330 0.124 20 30 CCEDLO Cc1[nH]c(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)[nH+]c1C ZINC000932956749 649106138 /nfs/dbraw/zinc/10/61/38/649106138.db2.gz HWRKXFIJTZCRKH-YPMHNXCESA-N 1 2 294.380 0.397 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@H+](CC3(CO)COC3)CCO2)cc1 ZINC000933626824 649131315 /nfs/dbraw/zinc/13/13/15/649131315.db2.gz FLEHRFGPUDMBTN-HNNXBMFYSA-N 1 2 288.347 0.940 20 30 CCEDLO N#Cc1ccc([C@@H]2C[N@@H+](CC3(CO)COC3)CCO2)cc1 ZINC000933626824 649131318 /nfs/dbraw/zinc/13/13/18/649131318.db2.gz FLEHRFGPUDMBTN-HNNXBMFYSA-N 1 2 288.347 0.940 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000951872633 649568577 /nfs/dbraw/zinc/56/85/77/649568577.db2.gz NDPDBJBNZCGVGP-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007261022 649726662 /nfs/dbraw/zinc/72/66/62/649726662.db2.gz PEOWJSGMVUGSDS-NXEZZACHSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007261022 649726665 /nfs/dbraw/zinc/72/66/65/649726665.db2.gz PEOWJSGMVUGSDS-NXEZZACHSA-N 1 2 287.747 0.428 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCO1 ZINC001017330275 649730942 /nfs/dbraw/zinc/73/09/42/649730942.db2.gz RXGQIASOEPSIRJ-BETUJISGSA-N 1 2 276.336 0.573 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCO1 ZINC001017330275 649730943 /nfs/dbraw/zinc/73/09/43/649730943.db2.gz RXGQIASOEPSIRJ-BETUJISGSA-N 1 2 276.336 0.573 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230532472 805612634 /nfs/dbraw/zinc/61/26/34/805612634.db2.gz MIDKASKGPGANTM-ZDUSSCGKSA-N 1 2 280.372 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230532472 805612638 /nfs/dbraw/zinc/61/26/38/805612638.db2.gz MIDKASKGPGANTM-ZDUSSCGKSA-N 1 2 280.372 0.301 20 30 CCEDLO CC[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266279239 790388541 /nfs/dbraw/zinc/38/85/41/790388541.db2.gz JIBDDXLYARLPJQ-GFCCVEGCSA-N 1 2 252.362 0.290 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001266279224 790388857 /nfs/dbraw/zinc/38/88/57/790388857.db2.gz IUQHUWFDSLNPDY-UHFFFAOYSA-N 1 2 295.774 0.539 20 30 CCEDLO CSC[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266281086 790390867 /nfs/dbraw/zinc/39/08/67/790390867.db2.gz FFKGWSYWSUNHMK-GFCCVEGCSA-N 1 2 284.429 0.243 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001266311774 790488001 /nfs/dbraw/zinc/48/80/01/790488001.db2.gz IFDYSOFFNVUUQP-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001266311774 790488007 /nfs/dbraw/zinc/48/80/07/790488007.db2.gz IFDYSOFFNVUUQP-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)CCCS(C)(=O)=O ZINC001266337247 790536386 /nfs/dbraw/zinc/53/63/86/790536386.db2.gz BXOJAGFZZXEKBK-UHFFFAOYSA-N 1 2 262.375 0.045 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)CCCS(C)(=O)=O ZINC001266337247 790536391 /nfs/dbraw/zinc/53/63/91/790536391.db2.gz BXOJAGFZZXEKBK-UHFFFAOYSA-N 1 2 262.375 0.045 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001266345435 790555379 /nfs/dbraw/zinc/55/53/79/790555379.db2.gz UBSIBAVKAQVUCG-QWHCGFSZSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001266345435 790555381 /nfs/dbraw/zinc/55/53/81/790555381.db2.gz UBSIBAVKAQVUCG-QWHCGFSZSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(C)(F)F)[C@H]2C1 ZINC001083195989 790638205 /nfs/dbraw/zinc/63/82/05/790638205.db2.gz AFKCOGCKKBQKCT-SDDRHHMPSA-N 1 2 286.322 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(C)(F)F)[C@H]2C1 ZINC001083195989 790638209 /nfs/dbraw/zinc/63/82/09/790638209.db2.gz AFKCOGCKKBQKCT-SDDRHHMPSA-N 1 2 286.322 0.823 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCOC1 ZINC001231103245 805728730 /nfs/dbraw/zinc/72/87/30/805728730.db2.gz OGUSWUJZJZAVMK-GJZGRUSLSA-N 1 2 294.395 0.596 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCOC1 ZINC001231103245 805728735 /nfs/dbraw/zinc/72/87/35/805728735.db2.gz OGUSWUJZJZAVMK-GJZGRUSLSA-N 1 2 294.395 0.596 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231247855 805761117 /nfs/dbraw/zinc/76/11/17/805761117.db2.gz RYSLENYMCWFRTN-WCQYABFASA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231247855 805761123 /nfs/dbraw/zinc/76/11/23/805761123.db2.gz RYSLENYMCWFRTN-WCQYABFASA-N 1 2 275.356 0.612 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231292503 805770106 /nfs/dbraw/zinc/77/01/06/805770106.db2.gz CZRPCXHZVZPFPC-WCQYABFASA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231292503 805770111 /nfs/dbraw/zinc/77/01/11/805770111.db2.gz CZRPCXHZVZPFPC-WCQYABFASA-N 1 2 287.367 0.977 20 30 CCEDLO O=C1C=C2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]2S1 ZINC001231698888 805830677 /nfs/dbraw/zinc/83/06/77/805830677.db2.gz AOPHFMYICXEVSL-SECBINFHSA-N 1 2 279.321 0.662 20 30 CCEDLO O=C1C=C2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]2S1 ZINC001231698888 805830687 /nfs/dbraw/zinc/83/06/87/805830687.db2.gz AOPHFMYICXEVSL-SECBINFHSA-N 1 2 279.321 0.662 20 30 CCEDLO C=CCCCC(=O)N(C)C1C[NH+](CCN2CCNC2=O)C1 ZINC001277652246 805926265 /nfs/dbraw/zinc/92/62/65/805926265.db2.gz PVPTXIDFRBCFFQ-UHFFFAOYSA-N 1 2 294.399 0.511 20 30 CCEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)CO ZINC001232606731 805961922 /nfs/dbraw/zinc/96/19/22/805961922.db2.gz ZCUFVOOKXRVMSQ-LBPRGKRZSA-N 1 2 254.717 0.997 20 30 CCEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)CO ZINC001232606731 805961931 /nfs/dbraw/zinc/96/19/31/805961931.db2.gz ZCUFVOOKXRVMSQ-LBPRGKRZSA-N 1 2 254.717 0.997 20 30 CCEDLO CN(CCNCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266839295 791280730 /nfs/dbraw/zinc/28/07/30/791280730.db2.gz VIRRILKJEPRJKF-GHMZBOCLSA-N 1 2 261.329 0.095 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC001266937150 791372889 /nfs/dbraw/zinc/37/28/89/791372889.db2.gz CWLFDKPCZROWNY-GHMZBOCLSA-N 1 2 296.396 0.733 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001266935135 791373506 /nfs/dbraw/zinc/37/35/06/791373506.db2.gz HJHDORRAUXJSSV-SNVBAGLBSA-N 1 2 250.302 0.323 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500221 806069664 /nfs/dbraw/zinc/06/96/64/806069664.db2.gz IDKOPRHBZQEUEM-UZYOAWRESA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500221 806069671 /nfs/dbraw/zinc/06/96/71/806069671.db2.gz IDKOPRHBZQEUEM-UZYOAWRESA-N 1 2 291.395 0.788 20 30 CCEDLO Cc1nccnc1C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267189657 791645435 /nfs/dbraw/zinc/64/54/35/791645435.db2.gz ZQZWOCASZYVMKR-SNVBAGLBSA-N 1 2 261.329 0.493 20 30 CCEDLO Cc1nccnc1C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001267189657 791645440 /nfs/dbraw/zinc/64/54/40/791645440.db2.gz ZQZWOCASZYVMKR-SNVBAGLBSA-N 1 2 261.329 0.493 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC001267195297 791656690 /nfs/dbraw/zinc/65/66/90/791656690.db2.gz UTWGJQXBWCCGDI-CQSZACIVSA-N 1 2 295.427 0.855 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC001267195297 791656696 /nfs/dbraw/zinc/65/66/96/791656696.db2.gz UTWGJQXBWCCGDI-CQSZACIVSA-N 1 2 295.427 0.855 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC001267211599 791680122 /nfs/dbraw/zinc/68/01/22/791680122.db2.gz DJABZDSUQJZEAV-QJPTWQEYSA-N 1 2 275.352 0.706 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001233819640 806126830 /nfs/dbraw/zinc/12/68/30/806126830.db2.gz NRVIZBDGUXPBIH-FVOPLDGLSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001233819640 806126837 /nfs/dbraw/zinc/12/68/37/806126837.db2.gz NRVIZBDGUXPBIH-FVOPLDGLSA-N 1 2 297.786 0.411 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001233956120 806156435 /nfs/dbraw/zinc/15/64/35/806156435.db2.gz AKJUGOFCNXEXAQ-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001233956120 806156439 /nfs/dbraw/zinc/15/64/39/806156439.db2.gz AKJUGOFCNXEXAQ-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052800 806173855 /nfs/dbraw/zinc/17/38/55/806173855.db2.gz ZVNAZJQHFMEPRJ-GJZGRUSLSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001234052800 806173857 /nfs/dbraw/zinc/17/38/57/806173857.db2.gz ZVNAZJQHFMEPRJ-GJZGRUSLSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(OC)C1 ZINC001235636937 806478813 /nfs/dbraw/zinc/47/88/13/806478813.db2.gz ZEUPYZKJCHXCPQ-SLTAFYQDSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(OC)C1 ZINC001235636937 806478817 /nfs/dbraw/zinc/47/88/17/806478817.db2.gz ZEUPYZKJCHXCPQ-SLTAFYQDSA-N 1 2 294.395 0.594 20 30 CCEDLO CC(C)n1ncc(C#N)c1NS(=O)(=O)CC[NH3+] ZINC001237529731 806678353 /nfs/dbraw/zinc/67/83/53/806678353.db2.gz HKSCVIWYUULVRQ-UHFFFAOYSA-N 1 2 257.319 0.036 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122483129 799245755 /nfs/dbraw/zinc/24/57/55/799245755.db2.gz SKTZLKOGFHSAJN-BXUZGUMPSA-N 1 2 295.387 0.763 20 30 CCEDLO C=C(C)Cn1c(N(C)OC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122483129 799245760 /nfs/dbraw/zinc/24/57/60/799245760.db2.gz SKTZLKOGFHSAJN-BXUZGUMPSA-N 1 2 295.387 0.763 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123694269 799455334 /nfs/dbraw/zinc/45/53/34/799455334.db2.gz JBVRTRCCDSJXAG-RRFJBIMHSA-N 1 2 292.427 0.818 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123694269 799455337 /nfs/dbraw/zinc/45/53/37/799455337.db2.gz JBVRTRCCDSJXAG-RRFJBIMHSA-N 1 2 292.427 0.818 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C(C)C ZINC001123707466 799457814 /nfs/dbraw/zinc/45/78/14/799457814.db2.gz HBGWOVGUPPFSAN-UHFFFAOYSA-N 1 2 295.383 0.488 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C(C)C ZINC001123707466 799457816 /nfs/dbraw/zinc/45/78/16/799457816.db2.gz HBGWOVGUPPFSAN-UHFFFAOYSA-N 1 2 295.383 0.488 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238819280 806808763 /nfs/dbraw/zinc/80/87/63/806808763.db2.gz IROWPDANGNPPOA-UHFFFAOYSA-N 1 2 282.351 0.413 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149294538 800244607 /nfs/dbraw/zinc/24/46/07/800244607.db2.gz VLCNOTTVWNMJEG-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149294538 800244613 /nfs/dbraw/zinc/24/46/13/800244613.db2.gz VLCNOTTVWNMJEG-NEPJUHHUSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001150731113 800362400 /nfs/dbraw/zinc/36/24/00/800362400.db2.gz DAFQQDBOIZVECB-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001150731113 800362407 /nfs/dbraw/zinc/36/24/07/800362407.db2.gz DAFQQDBOIZVECB-CQSZACIVSA-N 1 2 290.367 0.032 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206639731 800410255 /nfs/dbraw/zinc/41/02/55/800410255.db2.gz CDWRNHSNGANVSM-DMDPSCGWSA-N 1 2 275.356 0.516 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206639731 800410260 /nfs/dbraw/zinc/41/02/60/800410260.db2.gz CDWRNHSNGANVSM-DMDPSCGWSA-N 1 2 275.356 0.516 20 30 CCEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413963 800519579 /nfs/dbraw/zinc/51/95/79/800519579.db2.gz SPJWKQWOKOJYMO-WDEREUQCSA-N 1 2 278.360 0.301 20 30 CCEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413963 800519583 /nfs/dbraw/zinc/51/95/83/800519583.db2.gz SPJWKQWOKOJYMO-WDEREUQCSA-N 1 2 278.360 0.301 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001153134319 800600965 /nfs/dbraw/zinc/60/09/65/800600965.db2.gz BRGRMUOOTQHJMR-JTQLQIEISA-N 1 2 294.355 0.744 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897022 800688082 /nfs/dbraw/zinc/68/80/82/800688082.db2.gz FMLKIPDIHIPOTD-IJLUTSLNSA-N 1 2 275.356 0.863 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897022 800688085 /nfs/dbraw/zinc/68/80/85/800688085.db2.gz FMLKIPDIHIPOTD-IJLUTSLNSA-N 1 2 275.356 0.863 20 30 CCEDLO N#CCc1cc[nH+]c(NCCC(=O)N2CCOCC2)c1 ZINC001154663761 800826277 /nfs/dbraw/zinc/82/62/77/800826277.db2.gz WKQIYNVGJSDALH-UHFFFAOYSA-N 1 2 274.324 0.808 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001155848955 801066294 /nfs/dbraw/zinc/06/62/94/801066294.db2.gz SFEFSTAUPJJGPS-JTQLQIEISA-N 1 2 293.375 0.184 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001155848956 801066922 /nfs/dbraw/zinc/06/69/22/801066922.db2.gz SFEFSTAUPJJGPS-SNVBAGLBSA-N 1 2 293.375 0.184 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C)c2C#N)C[NH2+]1 ZINC001156242196 801137903 /nfs/dbraw/zinc/13/79/03/801137903.db2.gz CTJJFUFXBSXKES-ONGXEEELSA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)cc(C)n2)C[NH2+]1 ZINC001158256495 801606639 /nfs/dbraw/zinc/60/66/39/801606639.db2.gz NKNNKJAUMNANQF-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(NCCN3CCNCC3=O)c12 ZINC001161024205 802068003 /nfs/dbraw/zinc/06/80/03/802068003.db2.gz JZBQCDFAEXZGLQ-UHFFFAOYSA-N 1 2 284.323 0.278 20 30 CCEDLO Cc1[nH+]c(N2CC(=O)N(C3CC3)C(=O)C2)ccc1CC#N ZINC001164187761 802685578 /nfs/dbraw/zinc/68/55/78/802685578.db2.gz QEAPMVJNZAHIJW-UHFFFAOYSA-N 1 2 284.319 0.794 20 30 CCEDLO CC#CC[NH2+]CCN(CCO)C(=O)C(F)C(F)(F)F ZINC001279718494 809994742 /nfs/dbraw/zinc/99/47/42/809994742.db2.gz XZHGLSHYYOKWRX-SECBINFHSA-N 1 2 284.253 0.321 20 30 CCEDLO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](F)C(F)(F)F ZINC001279718494 809994745 /nfs/dbraw/zinc/99/47/45/809994745.db2.gz XZHGLSHYYOKWRX-SECBINFHSA-N 1 2 284.253 0.321 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)cc(C#N)c2)C[NH2+]1 ZINC001164308806 802716914 /nfs/dbraw/zinc/71/69/14/802716914.db2.gz SLLCHGALYYPGKL-STQMWFEESA-N 1 2 270.292 0.745 20 30 CCEDLO Cc1nc(N2CCCC2)cc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641875 802774229 /nfs/dbraw/zinc/77/42/29/802774229.db2.gz OFUGVRDRHAIDTQ-GFCCVEGCSA-N 1 2 272.356 0.687 20 30 CCEDLO CC(C)(C)NC(=O)c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164652551 802775868 /nfs/dbraw/zinc/77/58/68/802775868.db2.gz RTHGHFXAWRSTNI-GFCCVEGCSA-N 1 2 287.367 0.912 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C ZINC001203764270 803044690 /nfs/dbraw/zinc/04/46/90/803044690.db2.gz IQQKAAVVZQIWIR-AWEZNQCLSA-N 1 2 273.336 0.847 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C ZINC001203764270 803044698 /nfs/dbraw/zinc/04/46/98/803044698.db2.gz IQQKAAVVZQIWIR-AWEZNQCLSA-N 1 2 273.336 0.847 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(CNCC#N)CC1 ZINC001206898115 803303184 /nfs/dbraw/zinc/30/31/84/803303184.db2.gz CUXVEMCQHZGSIK-UHFFFAOYSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208250342 803500365 /nfs/dbraw/zinc/50/03/65/803500365.db2.gz GPIFCMJJKPIGPY-VXGBXAGGSA-N 1 2 261.329 0.233 20 30 CCEDLO CC(C)[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208353868 803508194 /nfs/dbraw/zinc/50/81/94/803508194.db2.gz PEPJCNYIGRFYOW-WZRBSPASSA-N 1 2 298.362 0.057 20 30 CCEDLO CC(C)[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001208353868 803508196 /nfs/dbraw/zinc/50/81/96/803508196.db2.gz PEPJCNYIGRFYOW-WZRBSPASSA-N 1 2 298.362 0.057 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211966775 814946902 /nfs/dbraw/zinc/94/69/02/814946902.db2.gz BWGKGKMQUNIXGD-CDWBCPPQSA-N 1 2 294.395 0.808 20 30 CCEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211966775 814946905 /nfs/dbraw/zinc/94/69/05/814946905.db2.gz BWGKGKMQUNIXGD-CDWBCPPQSA-N 1 2 294.395 0.808 20 30 CCEDLO CCOC(=O)C1(C#N)CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293274 803589138 /nfs/dbraw/zinc/58/91/38/803589138.db2.gz INUURSVRAODAMB-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO C=CC1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001209651917 803621156 /nfs/dbraw/zinc/62/11/56/803621156.db2.gz FTWXMYIMWQQQSB-UHFFFAOYSA-N 1 2 273.402 0.377 20 30 CCEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217295652 803883854 /nfs/dbraw/zinc/88/38/54/803883854.db2.gz KOKMVBLJINMUAQ-QLFBSQMISA-N 1 2 294.395 0.594 20 30 CCEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217295652 803883862 /nfs/dbraw/zinc/88/38/62/803883862.db2.gz KOKMVBLJINMUAQ-QLFBSQMISA-N 1 2 294.395 0.594 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217839108 803918127 /nfs/dbraw/zinc/91/81/27/803918127.db2.gz DRDUNGCVUAQEMB-LSDHHAIUSA-N 1 2 274.364 0.581 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217839108 803918131 /nfs/dbraw/zinc/91/81/31/803918131.db2.gz DRDUNGCVUAQEMB-LSDHHAIUSA-N 1 2 274.364 0.581 20 30 CCEDLO CC[C@@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218431261 803956400 /nfs/dbraw/zinc/95/64/00/803956400.db2.gz VYOZYWIVSSVCQH-HZSPNIEDSA-N 1 2 298.358 0.296 20 30 CCEDLO CC[C@@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218431261 803956413 /nfs/dbraw/zinc/95/64/13/803956413.db2.gz VYOZYWIVSSVCQH-HZSPNIEDSA-N 1 2 298.358 0.296 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C(C)C)C1=O ZINC001276793077 804083783 /nfs/dbraw/zinc/08/37/83/804083783.db2.gz OORDYFQVABKFFI-QWHCGFSZSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C(C)C)C1=O ZINC001276793077 804083795 /nfs/dbraw/zinc/08/37/95/804083795.db2.gz OORDYFQVABKFFI-QWHCGFSZSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCOC(C)C)[C@H]2C1 ZINC001219068695 804189771 /nfs/dbraw/zinc/18/97/71/804189771.db2.gz DPZZZXGSVBCSRC-LSDHHAIUSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCOC(C)C)[C@H]2C1 ZINC001219068695 804189774 /nfs/dbraw/zinc/18/97/74/804189774.db2.gz DPZZZXGSVBCSRC-LSDHHAIUSA-N 1 2 294.395 0.736 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001219333398 804275090 /nfs/dbraw/zinc/27/50/90/804275090.db2.gz YRHBGPSKVWGOBP-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001219333398 804275095 /nfs/dbraw/zinc/27/50/95/804275095.db2.gz YRHBGPSKVWGOBP-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001219333398 804275100 /nfs/dbraw/zinc/27/51/00/804275100.db2.gz YRHBGPSKVWGOBP-OLZOCXBDSA-N 1 2 278.356 0.048 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@@H](O)C1 ZINC001219385516 804294076 /nfs/dbraw/zinc/29/40/76/804294076.db2.gz OSSNWPBLADEOJT-BYTACQFHSA-N 1 2 294.395 0.400 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@@H](O)C1 ZINC001219385516 804294083 /nfs/dbraw/zinc/29/40/83/804294083.db2.gz OSSNWPBLADEOJT-BYTACQFHSA-N 1 2 294.395 0.400 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219587748 804361381 /nfs/dbraw/zinc/36/13/81/804361381.db2.gz TYHQQYUKZAHROD-MNOVXSKESA-N 1 2 292.301 0.760 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219587748 804361388 /nfs/dbraw/zinc/36/13/88/804361388.db2.gz TYHQQYUKZAHROD-MNOVXSKESA-N 1 2 292.301 0.760 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219707865 804411318 /nfs/dbraw/zinc/41/13/18/804411318.db2.gz JIQHQVPVUUZKTL-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001219707865 804411323 /nfs/dbraw/zinc/41/13/23/804411323.db2.gz JIQHQVPVUUZKTL-UTUOFQBUSA-N 1 2 297.399 0.014 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001219988438 804466749 /nfs/dbraw/zinc/46/67/49/804466749.db2.gz XCAGDQFLKMOYNW-LBPRGKRZSA-N 1 2 289.335 0.800 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220141057 804510886 /nfs/dbraw/zinc/51/08/86/804510886.db2.gz HMVRRYCASAGFGA-KGLIPLIRSA-N 1 2 289.379 0.955 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220141057 804510890 /nfs/dbraw/zinc/51/08/90/804510890.db2.gz HMVRRYCASAGFGA-KGLIPLIRSA-N 1 2 289.379 0.955 20 30 CCEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220172376 804525875 /nfs/dbraw/zinc/52/58/75/804525875.db2.gz QZYQMYSMCWZCCI-YACGDJQHSA-N 1 2 292.379 0.320 20 30 CCEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220172376 804525876 /nfs/dbraw/zinc/52/58/76/804525876.db2.gz QZYQMYSMCWZCCI-YACGDJQHSA-N 1 2 292.379 0.320 20 30 CCEDLO C#Cc1ccccc1CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001272158531 815033764 /nfs/dbraw/zinc/03/37/64/815033764.db2.gz NLPMQPOJCFQZKL-UHFFFAOYSA-N 1 2 287.363 0.086 20 30 CCEDLO C#Cc1ccccc1CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001272158531 815033770 /nfs/dbraw/zinc/03/37/70/815033770.db2.gz NLPMQPOJCFQZKL-UHFFFAOYSA-N 1 2 287.363 0.086 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001221018028 804719957 /nfs/dbraw/zinc/71/99/57/804719957.db2.gz SHAHWCOBOYANBU-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001221018028 804719959 /nfs/dbraw/zinc/71/99/59/804719959.db2.gz SHAHWCOBOYANBU-KGLIPLIRSA-N 1 2 296.411 0.624 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)C2CC2)[C@@H](O)C1 ZINC001221108153 804731875 /nfs/dbraw/zinc/73/18/75/804731875.db2.gz QOHVATCUZOHUFW-CFVMTHIKSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)C2CC2)[C@@H](O)C1 ZINC001221108153 804731877 /nfs/dbraw/zinc/73/18/77/804731877.db2.gz QOHVATCUZOHUFW-CFVMTHIKSA-N 1 2 294.395 0.234 20 30 CCEDLO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221529454 804828158 /nfs/dbraw/zinc/82/81/58/804828158.db2.gz HAVFJXGMTGCJSX-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221529454 804828166 /nfs/dbraw/zinc/82/81/66/804828166.db2.gz HAVFJXGMTGCJSX-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001276833860 804930271 /nfs/dbraw/zinc/93/02/71/804930271.db2.gz HBFKOSAFJHBOAG-KBPBESRZSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001276833860 804930274 /nfs/dbraw/zinc/93/02/74/804930274.db2.gz HBFKOSAFJHBOAG-KBPBESRZSA-N 1 2 291.395 0.649 20 30 CCEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ncc[nH]2)C3)CCC1 ZINC001277004836 805086477 /nfs/dbraw/zinc/08/64/77/805086477.db2.gz ZTKOFKPHPOOZEQ-IAQYHMDHSA-N 1 2 285.351 0.794 20 30 CCEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ncc[nH]2)C3)CCC1 ZINC001277004836 805086486 /nfs/dbraw/zinc/08/64/86/805086486.db2.gz ZTKOFKPHPOOZEQ-IAQYHMDHSA-N 1 2 285.351 0.794 20 30 CCEDLO CC1=C(OCCC[NH+]2CCOCC2)C(=O)[C@@H](C)O1 ZINC001224870712 805087580 /nfs/dbraw/zinc/08/75/80/805087580.db2.gz TZNVCIQHCNDQNH-SNVBAGLBSA-N 1 2 255.314 0.945 20 30 CCEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225936936 805177686 /nfs/dbraw/zinc/17/76/86/805177686.db2.gz YPRFXJLYMXQXMU-VXGBXAGGSA-N 1 2 275.356 0.883 20 30 CCEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)[nH]1 ZINC001226641376 805259807 /nfs/dbraw/zinc/25/98/07/805259807.db2.gz ZKTIJUOZTWWMDB-NXEZZACHSA-N 1 2 290.371 0.914 20 30 CCEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)[nH]1 ZINC001226641379 805259839 /nfs/dbraw/zinc/25/98/39/805259839.db2.gz ZKTIJUOZTWWMDB-ZJUUUORDSA-N 1 2 290.371 0.914 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001277177665 805313721 /nfs/dbraw/zinc/31/37/21/805313721.db2.gz NHGUTVIYZALEFQ-NEPJUHHUSA-N 1 2 292.339 0.399 20 30 CCEDLO C[N@@H+]1CCO[C@@H](COc2cc(C(=O)NO)ccc2O)C1 ZINC001229966558 805569738 /nfs/dbraw/zinc/56/97/38/805569738.db2.gz RWHUBILAJNJPMT-SNVBAGLBSA-N 1 2 282.296 0.221 20 30 CCEDLO C[N@H+]1CCO[C@@H](COc2cc(C(=O)NO)ccc2O)C1 ZINC001229966558 805569741 /nfs/dbraw/zinc/56/97/41/805569741.db2.gz RWHUBILAJNJPMT-SNVBAGLBSA-N 1 2 282.296 0.221 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CN1 ZINC001246945337 807436670 /nfs/dbraw/zinc/43/66/70/807436670.db2.gz LCBNWNSXGWAQRQ-GVXVVHGQSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)CN1 ZINC001246945337 807436674 /nfs/dbraw/zinc/43/66/74/807436674.db2.gz LCBNWNSXGWAQRQ-GVXVVHGQSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1ccn2ncc(C[N@H+]3CCOC[C@@H](O)C3)c2c1 ZINC001249081917 807539225 /nfs/dbraw/zinc/53/92/25/807539225.db2.gz AJCAHKVVRREBRH-ZDUSSCGKSA-N 1 2 272.308 0.399 20 30 CCEDLO N#Cc1ccn2ncc(C[N@@H+]3CCOC[C@@H](O)C3)c2c1 ZINC001249081917 807539231 /nfs/dbraw/zinc/53/92/31/807539231.db2.gz AJCAHKVVRREBRH-ZDUSSCGKSA-N 1 2 272.308 0.399 20 30 CCEDLO N#Cc1ncc(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251011947 807641301 /nfs/dbraw/zinc/64/13/01/807641301.db2.gz PNAABSWLMOSGRK-NSHDSACASA-N 1 2 280.303 0.197 20 30 CCEDLO N#CC1(NC[C@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC001251038174 807652124 /nfs/dbraw/zinc/65/21/24/807652124.db2.gz VQCFKLZRUZOCAM-ZDUSSCGKSA-N 1 2 267.373 0.496 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001253576213 808083888 /nfs/dbraw/zinc/08/38/88/808083888.db2.gz KWEWSELNSMQVLO-GXTWGEPZSA-N 1 2 292.383 0.781 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001253576213 808083895 /nfs/dbraw/zinc/08/38/95/808083895.db2.gz KWEWSELNSMQVLO-GXTWGEPZSA-N 1 2 292.383 0.781 20 30 CCEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255597914 808412467 /nfs/dbraw/zinc/41/24/67/808412467.db2.gz LBVGNJVKUSODBV-NEPJUHHUSA-N 1 2 280.372 0.793 20 30 CCEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC001255690704 808423535 /nfs/dbraw/zinc/42/35/35/808423535.db2.gz YTLNBYVACRWBOZ-UHFFFAOYSA-N 1 2 269.308 0.970 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001278888131 808428229 /nfs/dbraw/zinc/42/82/29/808428229.db2.gz OVTLQBAYOZTFMQ-UHFFFAOYSA-N 1 2 292.383 0.239 20 30 CCEDLO COC(=O)[C@@H](CC(N)=O)[NH2+]C1CCC(C#N)CC1 ZINC001256959708 808571067 /nfs/dbraw/zinc/57/10/67/808571067.db2.gz RBHJCVPXDJHQSD-UDNWOFFPSA-N 1 2 253.302 0.075 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CCC(F)(F)F)CC1 ZINC001259876643 808790115 /nfs/dbraw/zinc/79/01/15/808790115.db2.gz KMJZIZMUOFUCRI-UHFFFAOYSA-N 1 2 299.318 0.846 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001076321686 815277191 /nfs/dbraw/zinc/27/71/91/815277191.db2.gz OVGVLSURVSVDRK-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](O)C1 ZINC001083546507 815278639 /nfs/dbraw/zinc/27/86/39/815278639.db2.gz ROTGKBKULQJEAD-KGLIPLIRSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](O)C1 ZINC001083546507 815278643 /nfs/dbraw/zinc/27/86/43/815278643.db2.gz ROTGKBKULQJEAD-KGLIPLIRSA-N 1 2 298.346 0.361 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076343388 815280077 /nfs/dbraw/zinc/28/00/77/815280077.db2.gz BKMVCDJSWFQQQK-MBNYWOFBSA-N 1 2 287.367 0.645 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076343388 815280081 /nfs/dbraw/zinc/28/00/81/815280081.db2.gz BKMVCDJSWFQQQK-MBNYWOFBSA-N 1 2 287.367 0.645 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(CC)[nH]n3)n2C)CC1 ZINC001262901586 809421246 /nfs/dbraw/zinc/42/12/46/809421246.db2.gz GDYQTTYGFOSKMH-UHFFFAOYSA-N 1 2 299.382 0.523 20 30 CCEDLO N#C[C@H]1CCCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000385997064 809637982 /nfs/dbraw/zinc/63/79/82/809637982.db2.gz SOXRSESDFANUMJ-CHWSQXEVSA-N 1 2 253.346 0.058 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)COC ZINC001264365255 809643067 /nfs/dbraw/zinc/64/30/67/809643067.db2.gz UEISYNAGUWOUFN-AWEZNQCLSA-N 1 2 296.411 0.842 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)COC ZINC001264365255 809643070 /nfs/dbraw/zinc/64/30/70/809643070.db2.gz UEISYNAGUWOUFN-AWEZNQCLSA-N 1 2 296.411 0.842 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001083549073 815305864 /nfs/dbraw/zinc/30/58/64/815305864.db2.gz PGUAMNAYVATIHE-MNOVXSKESA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001083549073 815305870 /nfs/dbraw/zinc/30/58/70/815305870.db2.gz PGUAMNAYVATIHE-MNOVXSKESA-N 1 2 284.768 0.810 20 30 CCEDLO CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265204392 809724139 /nfs/dbraw/zinc/72/41/39/809724139.db2.gz XWQLYYJLYIZWEG-CYBMUJFWSA-N 1 2 294.399 0.787 20 30 CCEDLO CCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265204392 809724141 /nfs/dbraw/zinc/72/41/41/809724141.db2.gz XWQLYYJLYIZWEG-CYBMUJFWSA-N 1 2 294.399 0.787 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001265257307 809733576 /nfs/dbraw/zinc/73/35/76/809733576.db2.gz AUSKJUMLOQURLK-FICVDOATSA-N 1 2 275.396 0.400 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001265400978 809771336 /nfs/dbraw/zinc/77/13/36/809771336.db2.gz IGFIYWHIHQLGJD-RWMBFGLXSA-N 1 2 279.384 0.762 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001265400978 809771340 /nfs/dbraw/zinc/77/13/40/809771340.db2.gz IGFIYWHIHQLGJD-RWMBFGLXSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001265905321 809890470 /nfs/dbraw/zinc/89/04/70/809890470.db2.gz IVQJDOXNPCLBPL-LBPRGKRZSA-N 1 2 292.339 0.108 20 30 CCEDLO C#CC[NH2+]CCOCCN(C)C(=O)C(F)C(F)(F)F ZINC001279416451 809978555 /nfs/dbraw/zinc/97/85/55/809978555.db2.gz WNHNYTBEVMMQCK-SECBINFHSA-N 1 2 284.253 0.585 20 30 CCEDLO C#CC[NH2+]CCOCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001279416451 809978559 /nfs/dbraw/zinc/97/85/59/809978559.db2.gz WNHNYTBEVMMQCK-SECBINFHSA-N 1 2 284.253 0.585 20 30 CCEDLO COCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001280406169 810015871 /nfs/dbraw/zinc/01/58/71/810015871.db2.gz KEDDPUBBOCPERM-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO COCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001280406169 810015876 /nfs/dbraw/zinc/01/58/76/810015876.db2.gz KEDDPUBBOCPERM-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](O)C1 ZINC001083558110 815423283 /nfs/dbraw/zinc/42/32/83/815423283.db2.gz SMSDOEPBIKTFPV-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](O)C1 ZINC001083558110 815423287 /nfs/dbraw/zinc/42/32/87/815423287.db2.gz SMSDOEPBIKTFPV-CABCVRRESA-N 1 2 298.346 0.361 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038283759 811170854 /nfs/dbraw/zinc/17/08/54/811170854.db2.gz CWVZTVKSARYNSU-JTQLQIEISA-N 1 2 280.759 0.994 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038283759 811170856 /nfs/dbraw/zinc/17/08/56/811170856.db2.gz CWVZTVKSARYNSU-JTQLQIEISA-N 1 2 280.759 0.994 20 30 CCEDLO Cc1noc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125776734 811322148 /nfs/dbraw/zinc/32/21/48/811322148.db2.gz WXGSKKHRPSMNJF-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(CC#N)C1 ZINC001267539916 811420757 /nfs/dbraw/zinc/42/07/57/811420757.db2.gz VQXVYNSOMOSIRX-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(CC#N)C1 ZINC001267539916 811420762 /nfs/dbraw/zinc/42/07/62/811420762.db2.gz VQXVYNSOMOSIRX-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038319605 811454245 /nfs/dbraw/zinc/45/42/45/811454245.db2.gz SZUKSFLIFGTSFV-GFCCVEGCSA-N 1 2 288.351 0.621 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1OC ZINC001038319605 811454252 /nfs/dbraw/zinc/45/42/52/811454252.db2.gz SZUKSFLIFGTSFV-GFCCVEGCSA-N 1 2 288.351 0.621 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H](C)COC)CC1 ZINC001267573934 811466062 /nfs/dbraw/zinc/46/60/62/811466062.db2.gz POLXKVOYMKUUIW-AWEZNQCLSA-N 1 2 283.416 0.531 20 30 CCEDLO CC(C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267605825 811544297 /nfs/dbraw/zinc/54/42/97/811544297.db2.gz DEODRGVYCZPRJJ-UHFFFAOYSA-N 1 2 252.362 0.242 20 30 CCEDLO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648293 811546260 /nfs/dbraw/zinc/54/62/60/811546260.db2.gz SNLTXDIIQBGRPW-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077184847 815457073 /nfs/dbraw/zinc/45/70/73/815457073.db2.gz XUMKOZVWUCTANE-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C2(COC)CC2)C1 ZINC001267652356 811618199 /nfs/dbraw/zinc/61/81/99/811618199.db2.gz PSUXBOMSFYKOGX-UHFFFAOYSA-N 1 2 268.357 0.416 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604540 811631872 /nfs/dbraw/zinc/63/18/72/811631872.db2.gz RNPCWRIBXGXQAR-AWEZNQCLSA-N 1 2 287.367 0.741 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@](C)(C=C)CC)C1 ZINC001267691963 811656270 /nfs/dbraw/zinc/65/62/70/811656270.db2.gz XONCXRJLYKLICP-MRXNPFEDSA-N 1 2 291.395 0.386 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)CS(=O)(=O)CCC)C1 ZINC001267699616 811663209 /nfs/dbraw/zinc/66/32/09/811663209.db2.gz ZJEHIDRAGPYCTB-UHFFFAOYSA-N 1 2 288.413 0.435 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219588538 811685666 /nfs/dbraw/zinc/68/56/66/811685666.db2.gz FKRAUDUEOMISMW-HIMAVIEDSA-N 1 2 284.787 0.950 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219588538 811685673 /nfs/dbraw/zinc/68/56/73/811685673.db2.gz FKRAUDUEOMISMW-HIMAVIEDSA-N 1 2 284.787 0.950 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267749558 811741144 /nfs/dbraw/zinc/74/11/44/811741144.db2.gz KOTVAANAKVZRNT-VXGBXAGGSA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267749558 811741152 /nfs/dbraw/zinc/74/11/52/811741152.db2.gz KOTVAANAKVZRNT-VXGBXAGGSA-N 1 2 280.372 0.109 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nnc(C)o1 ZINC001267801277 811796621 /nfs/dbraw/zinc/79/66/21/811796621.db2.gz SQLMUFJBZUCYSZ-WPRPVWTQSA-N 1 2 265.317 0.522 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001077327093 815479725 /nfs/dbraw/zinc/47/97/25/815479725.db2.gz VEKDDOHZBCBOAJ-HUUCEWRRSA-N 1 2 289.379 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001077327093 815479726 /nfs/dbraw/zinc/47/97/26/815479726.db2.gz VEKDDOHZBCBOAJ-HUUCEWRRSA-N 1 2 289.379 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001077328228 815482126 /nfs/dbraw/zinc/48/21/26/815482126.db2.gz TUOHLSLRPMOBMP-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001077328228 815482127 /nfs/dbraw/zinc/48/21/27/815482127.db2.gz TUOHLSLRPMOBMP-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001268028774 812018680 /nfs/dbraw/zinc/01/86/80/812018680.db2.gz NHGIJAUBGNAMDZ-OLZOCXBDSA-N 1 2 297.399 0.137 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001268028774 812018686 /nfs/dbraw/zinc/01/86/86/812018686.db2.gz NHGIJAUBGNAMDZ-OLZOCXBDSA-N 1 2 297.399 0.137 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028100202 812277412 /nfs/dbraw/zinc/27/74/12/812277412.db2.gz BMTPZJISNDPFCX-SNVBAGLBSA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028100202 812277421 /nfs/dbraw/zinc/27/74/21/812277421.db2.gz BMTPZJISNDPFCX-SNVBAGLBSA-N 1 2 296.758 0.717 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001038878947 812289208 /nfs/dbraw/zinc/28/92/08/812289208.db2.gz HINCCRGZSOBTJB-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001038878947 812289214 /nfs/dbraw/zinc/28/92/14/812289214.db2.gz HINCCRGZSOBTJB-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CNCC#N ZINC001268196820 812358817 /nfs/dbraw/zinc/35/88/17/812358817.db2.gz FPANQYBVQLZMAA-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC(OC)C1 ZINC001268240869 812408126 /nfs/dbraw/zinc/40/81/26/812408126.db2.gz DTFHXVBSVMOYQM-UHFFFAOYSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC(OC)C1 ZINC001268240869 812408129 /nfs/dbraw/zinc/40/81/29/812408129.db2.gz DTFHXVBSVMOYQM-UHFFFAOYSA-N 1 2 297.399 0.104 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038966173 812483162 /nfs/dbraw/zinc/48/31/62/812483162.db2.gz AUKKJTPRHZNQHV-CYBMUJFWSA-N 1 2 285.347 0.844 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038966173 812483166 /nfs/dbraw/zinc/48/31/66/812483166.db2.gz AUKKJTPRHZNQHV-CYBMUJFWSA-N 1 2 285.347 0.844 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001058946700 812578387 /nfs/dbraw/zinc/57/83/87/812578387.db2.gz RSJKULIISPISLS-LBPRGKRZSA-N 1 2 296.334 0.932 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN(C(C)=O)c2ccccc2)C1 ZINC001268485249 812661978 /nfs/dbraw/zinc/66/19/78/812661978.db2.gz PRYFREXNKLWULQ-UHFFFAOYSA-N 1 2 299.374 0.863 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001126364765 812676642 /nfs/dbraw/zinc/67/66/42/812676642.db2.gz BNGNLCZLDIHHOA-NSHDSACASA-N 1 2 270.358 0.071 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCCCC)C1 ZINC001268512516 812752273 /nfs/dbraw/zinc/75/22/73/812752273.db2.gz ZNOJKFBPIPYHGO-ZDUSSCGKSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001083395547 812937343 /nfs/dbraw/zinc/93/73/43/812937343.db2.gz WFXURBFRXQJQEL-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001083395547 812937346 /nfs/dbraw/zinc/93/73/46/812937346.db2.gz WFXURBFRXQJQEL-NEPJUHHUSA-N 1 2 262.309 0.305 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CSCC#N)n1 ZINC001268638208 812959833 /nfs/dbraw/zinc/95/98/33/812959833.db2.gz IURKTTLGOVOVBP-BDAKNGLRSA-N 1 2 297.384 0.790 20 30 CCEDLO CCc1nnc(C[NH2+]C[C@H](C)NC(=O)CSCC#N)o1 ZINC001268678478 813001394 /nfs/dbraw/zinc/00/13/94/813001394.db2.gz JEFKPOWMAJJEGK-VIFPVBQESA-N 1 2 297.384 0.483 20 30 CCEDLO C#CCCCCCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001268861889 813120866 /nfs/dbraw/zinc/12/08/66/813120866.db2.gz AUSASMZYSLEZOP-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001268866986 813124520 /nfs/dbraw/zinc/12/45/20/813124520.db2.gz DAJIMDPZOLDKIL-DGCLKSJQSA-N 1 2 279.384 0.525 20 30 CCEDLO C[N@@H+]1CCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc31)C2 ZINC001269184642 813253035 /nfs/dbraw/zinc/25/30/35/813253035.db2.gz BKTQHXXMUHNWRM-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C[N@H+]1CCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc31)C2 ZINC001269184642 813253039 /nfs/dbraw/zinc/25/30/39/813253039.db2.gz BKTQHXXMUHNWRM-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001038401069 813285160 /nfs/dbraw/zinc/28/51/60/813285160.db2.gz NXFPOSWYFDWIEK-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001038401069 813285166 /nfs/dbraw/zinc/28/51/66/813285166.db2.gz NXFPOSWYFDWIEK-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001269247869 813289466 /nfs/dbraw/zinc/28/94/66/813289466.db2.gz KMQNGLMXTBEBBR-XJKSGUPXSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001269247869 813289470 /nfs/dbraw/zinc/28/94/70/813289470.db2.gz KMQNGLMXTBEBBR-XJKSGUPXSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001269267486 813298332 /nfs/dbraw/zinc/29/83/32/813298332.db2.gz YYTHMLXRIMPEAL-QWHCGFSZSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001269267486 813298337 /nfs/dbraw/zinc/29/83/37/813298337.db2.gz YYTHMLXRIMPEAL-QWHCGFSZSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CCN1CC[C@@]2(CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001269289528 813309535 /nfs/dbraw/zinc/30/95/35/813309535.db2.gz FZQAURBMEBODKX-HNNXBMFYSA-N 1 2 286.335 0.110 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001269750583 813491023 /nfs/dbraw/zinc/49/10/23/813491023.db2.gz FQGDAJBIEABGFE-UHFFFAOYSA-N 1 2 263.341 0.974 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038418030 813707351 /nfs/dbraw/zinc/70/73/51/813707351.db2.gz OUKWFPFHCFIEER-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270506660 813789715 /nfs/dbraw/zinc/78/97/15/813789715.db2.gz CAYGMYSFTYHPMY-LBPRGKRZSA-N 1 2 297.362 0.701 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccns2)C1 ZINC001270589925 813828144 /nfs/dbraw/zinc/82/81/44/813828144.db2.gz LGQBVVGSSUTSRE-AWEZNQCLSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccns2)C1 ZINC001270589925 813828150 /nfs/dbraw/zinc/82/81/50/813828150.db2.gz LGQBVVGSSUTSRE-AWEZNQCLSA-N 1 2 293.392 0.987 20 30 CCEDLO CC#CC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001270716790 813904926 /nfs/dbraw/zinc/90/49/26/813904926.db2.gz PZDWOTXVCPEAJU-UHFFFAOYSA-N 1 2 271.320 0.455 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001038430141 813933449 /nfs/dbraw/zinc/93/34/49/813933449.db2.gz CTKBZGNFWFWTAL-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001038430141 813933454 /nfs/dbraw/zinc/93/34/54/813933454.db2.gz CTKBZGNFWFWTAL-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154077 814221526 /nfs/dbraw/zinc/22/15/26/814221526.db2.gz XVBBHYPNWLNUJA-SCZZXKLOSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001271154077 814221531 /nfs/dbraw/zinc/22/15/31/814221531.db2.gz XVBBHYPNWLNUJA-SCZZXKLOSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001271154077 814221537 /nfs/dbraw/zinc/22/15/37/814221537.db2.gz XVBBHYPNWLNUJA-SCZZXKLOSA-N 1 2 282.237 0.073 20 30 CCEDLO C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001271154077 814221541 /nfs/dbraw/zinc/22/15/41/814221541.db2.gz XVBBHYPNWLNUJA-SCZZXKLOSA-N 1 2 282.237 0.073 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](OC)[C@@H](C)CC)C1 ZINC001271311329 814375045 /nfs/dbraw/zinc/37/50/45/814375045.db2.gz DBTJUSPPKOQSRI-QWHCGFSZSA-N 1 2 284.400 0.787 20 30 CCEDLO C=C(C)CN1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001271387757 814399364 /nfs/dbraw/zinc/39/93/64/814399364.db2.gz BYKOSANEIHMRCF-UHFFFAOYSA-N 1 2 292.383 0.092 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088183632 814441391 /nfs/dbraw/zinc/44/13/91/814441391.db2.gz PBZCQSDMUNLEKH-OLZOCXBDSA-N 1 2 287.367 0.565 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC001272004460 814699229 /nfs/dbraw/zinc/69/92/29/814699229.db2.gz HHGGWFGUSGJKRA-UHFFFAOYSA-N 1 2 276.384 0.970 20 30 CCEDLO CC(C)C#CC(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC001272004460 814699232 /nfs/dbraw/zinc/69/92/32/814699232.db2.gz HHGGWFGUSGJKRA-UHFFFAOYSA-N 1 2 276.384 0.970 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001127039614 815590079 /nfs/dbraw/zinc/59/00/79/815590079.db2.gz NAZZPMWGVHJNMS-GFCCVEGCSA-N 1 2 279.340 0.536 20 30 CCEDLO Cc1nc(NC[C@@H](O)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001105812008 815883216 /nfs/dbraw/zinc/88/32/16/815883216.db2.gz OQARQNXQJJFSNA-GFCCVEGCSA-N 1 2 276.340 0.333 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001030363430 815996653 /nfs/dbraw/zinc/99/66/53/815996653.db2.gz CVMUURJCKBSXCU-UHFFFAOYSA-N 1 2 283.331 0.619 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn3nnnc23)C1 ZINC001030369440 815999246 /nfs/dbraw/zinc/99/92/46/815999246.db2.gz FRRQLJYINNPXHU-UHFFFAOYSA-N 1 2 272.312 0.114 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2CCC)C1 ZINC001030378277 816003211 /nfs/dbraw/zinc/00/32/11/816003211.db2.gz NHPQXZAMGHSFMH-UHFFFAOYSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2cccc3OC)C1 ZINC001030387694 816007092 /nfs/dbraw/zinc/00/70/92/816007092.db2.gz AXHJNYVSHUHDNQ-UHFFFAOYSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001030391381 816010823 /nfs/dbraw/zinc/01/08/23/816010823.db2.gz BVWAADXIGLQSLT-QWHCGFSZSA-N 1 2 250.342 0.768 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001030421473 816028727 /nfs/dbraw/zinc/02/87/27/816028727.db2.gz FMUCHGKWKWJXKU-KGLIPLIRSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3nccnc3c2)C1 ZINC001030455502 816046776 /nfs/dbraw/zinc/04/67/76/816046776.db2.gz XTHQJRIPHUAKEQ-UHFFFAOYSA-N 1 2 281.319 0.462 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001030458414 816047194 /nfs/dbraw/zinc/04/71/94/816047194.db2.gz SKPGRKQWNCBVKC-UHFFFAOYSA-N 1 2 285.347 0.710 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001030472225 816054042 /nfs/dbraw/zinc/05/40/42/816054042.db2.gz KNAFBXCDONZLGE-UHFFFAOYSA-N 1 2 286.379 0.586 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001030522724 816084750 /nfs/dbraw/zinc/08/47/50/816084750.db2.gz CRAWGJZZTOVTTA-LBPRGKRZSA-N 1 2 286.379 0.903 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001099064868 816191735 /nfs/dbraw/zinc/19/17/35/816191735.db2.gz IRIYWWRGOSZYQC-CYBMUJFWSA-N 1 2 293.411 0.738 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001099064868 816191741 /nfs/dbraw/zinc/19/17/41/816191741.db2.gz IRIYWWRGOSZYQC-CYBMUJFWSA-N 1 2 293.411 0.738 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001030709022 816241112 /nfs/dbraw/zinc/24/11/12/816241112.db2.gz AJMNMBXWLGSJAH-KGLIPLIRSA-N 1 2 262.353 0.625 20 30 CCEDLO CC[C@H](OC)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046010956 816281490 /nfs/dbraw/zinc/28/14/90/816281490.db2.gz XONFYTZWTPMVCB-KGLIPLIRSA-N 1 2 294.399 0.153 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cc1 ZINC001030777445 816284276 /nfs/dbraw/zinc/28/42/76/816284276.db2.gz YFKOFSVRKKHRTA-LLVKDONJSA-N 1 2 258.321 0.463 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC001272537424 816562009 /nfs/dbraw/zinc/56/20/09/816562009.db2.gz IBCREQASJHCBHD-OAHLLOKOSA-N 1 2 290.367 0.647 20 30 CCEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC001272537424 816562013 /nfs/dbraw/zinc/56/20/13/816562013.db2.gz IBCREQASJHCBHD-OAHLLOKOSA-N 1 2 290.367 0.647 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001031022271 816572601 /nfs/dbraw/zinc/57/26/01/816572601.db2.gz ZUTLWVBOHQAKIC-UHFFFAOYSA-N 1 2 284.319 0.706 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001031028433 816578446 /nfs/dbraw/zinc/57/84/46/816578446.db2.gz LTWDEEKQSKCORD-LBPRGKRZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2csc3cncn32)C1 ZINC001031038745 816594737 /nfs/dbraw/zinc/59/47/37/816594737.db2.gz DSSGHJMXSSDMOM-UHFFFAOYSA-N 1 2 274.349 0.833 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H](O)C1 ZINC001083718409 816632470 /nfs/dbraw/zinc/63/24/70/816632470.db2.gz PPUSXBOKUUUEEA-KGLIPLIRSA-N 1 2 275.352 0.225 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H](O)C1 ZINC001083718409 816632472 /nfs/dbraw/zinc/63/24/72/816632472.db2.gz PPUSXBOKUUUEEA-KGLIPLIRSA-N 1 2 275.352 0.225 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CC)c2C)C1 ZINC001031136294 816689529 /nfs/dbraw/zinc/68/95/29/816689529.db2.gz QIFNIJQCZXEZLK-UHFFFAOYSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(F)F)c2)C1 ZINC001031149163 816703360 /nfs/dbraw/zinc/70/33/60/816703360.db2.gz GFXMMTUWIZJDSE-UHFFFAOYSA-N 1 2 268.267 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)[C@@H](O)C1 ZINC001083727228 816717490 /nfs/dbraw/zinc/71/74/90/816717490.db2.gz RSQYBZNUZKAITL-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)[C@@H](O)C1 ZINC001083727228 816717496 /nfs/dbraw/zinc/71/74/96/816717496.db2.gz RSQYBZNUZKAITL-SFYZADRCSA-N 1 2 287.772 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC)[C@@H](O)C1 ZINC001083732019 816812387 /nfs/dbraw/zinc/81/23/87/816812387.db2.gz ABHICPDXKFBSAL-CABCVRRESA-N 1 2 272.348 0.657 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC)[C@@H](O)C1 ZINC001083732019 816812393 /nfs/dbraw/zinc/81/23/93/816812393.db2.gz ABHICPDXKFBSAL-CABCVRRESA-N 1 2 272.348 0.657 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001031244787 816879721 /nfs/dbraw/zinc/87/97/21/816879721.db2.gz SMHBCPQHQMOLSQ-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001031265006 816913599 /nfs/dbraw/zinc/91/35/99/816913599.db2.gz ZPFQLEGYYKHCDM-UHFFFAOYSA-N 1 2 277.324 0.786 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001038578387 816986078 /nfs/dbraw/zinc/98/60/78/816986078.db2.gz LCDRDHZOCURYGU-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001038578387 816986083 /nfs/dbraw/zinc/98/60/83/816986083.db2.gz LCDRDHZOCURYGU-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CN2CCCCCC2=O)C1 ZINC001031363394 817003791 /nfs/dbraw/zinc/00/37/91/817003791.db2.gz SANSAPKDIZSHLC-UHFFFAOYSA-N 1 2 277.368 0.213 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001031486681 817079696 /nfs/dbraw/zinc/07/96/96/817079696.db2.gz INPSMMAJUYZFKB-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO Cn1nccc1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622554 817192313 /nfs/dbraw/zinc/19/23/13/817192313.db2.gz WOLIQMZMCCLKIL-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001031672155 817235651 /nfs/dbraw/zinc/23/56/51/817235651.db2.gz WSSXMDOPZNKYDQ-ZDUSSCGKSA-N 1 2 286.379 0.901 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001089664092 817298138 /nfs/dbraw/zinc/29/81/38/817298138.db2.gz ZGJZPRHBVHTHPW-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001089664092 817298144 /nfs/dbraw/zinc/29/81/44/817298144.db2.gz ZGJZPRHBVHTHPW-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001089664092 817298151 /nfs/dbraw/zinc/29/81/51/817298151.db2.gz ZGJZPRHBVHTHPW-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001089664092 817298158 /nfs/dbraw/zinc/29/81/58/817298158.db2.gz ZGJZPRHBVHTHPW-LLVKDONJSA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089868510 817574703 /nfs/dbraw/zinc/57/47/03/817574703.db2.gz CTDRAHGIVTXEHG-TUUVXOQKSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089868510 817574707 /nfs/dbraw/zinc/57/47/07/817574707.db2.gz CTDRAHGIVTXEHG-TUUVXOQKSA-N 1 2 298.390 0.754 20 30 CCEDLO CC(C)Cc1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124889397 817618655 /nfs/dbraw/zinc/61/86/55/817618655.db2.gz PZDNUIAABJLEKW-JTQLQIEISA-N 1 2 279.344 0.634 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107146693 817795162 /nfs/dbraw/zinc/79/51/62/817795162.db2.gz OHXKMEPVXJXBKG-LLVKDONJSA-N 1 2 288.355 0.487 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032317605 817850890 /nfs/dbraw/zinc/85/08/90/817850890.db2.gz XGANLLOYRVOQSF-BPNCWPANSA-N 1 2 287.367 0.673 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032317605 817850895 /nfs/dbraw/zinc/85/08/95/817850895.db2.gz XGANLLOYRVOQSF-BPNCWPANSA-N 1 2 287.367 0.673 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032318977 817853131 /nfs/dbraw/zinc/85/31/31/817853131.db2.gz DXLNYUBELWTRSF-SRVKXCTJSA-N 1 2 273.340 0.365 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001077588678 817853217 /nfs/dbraw/zinc/85/32/17/817853217.db2.gz QSDHFOGZZJTABQ-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001077588678 817853222 /nfs/dbraw/zinc/85/32/22/817853222.db2.gz QSDHFOGZZJTABQ-HUUCEWRRSA-N 1 2 298.346 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001077661112 817955067 /nfs/dbraw/zinc/95/50/67/817955067.db2.gz HAUCWMJIWKQOBO-QJPTWQEYSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001077661112 817955076 /nfs/dbraw/zinc/95/50/76/817955076.db2.gz HAUCWMJIWKQOBO-QJPTWQEYSA-N 1 2 278.377 0.646 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001107758018 817986986 /nfs/dbraw/zinc/98/69/86/817986986.db2.gz ZITCJNYXFYARKO-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001107758018 817986989 /nfs/dbraw/zinc/98/69/89/817986989.db2.gz ZITCJNYXFYARKO-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766393 817993766 /nfs/dbraw/zinc/99/37/66/817993766.db2.gz RSIUDVAYUMKWMM-ZBFHGGJFSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766393 817993771 /nfs/dbraw/zinc/99/37/71/817993771.db2.gz RSIUDVAYUMKWMM-ZBFHGGJFSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC2CC2)C1 ZINC001107766397 817993895 /nfs/dbraw/zinc/99/38/95/817993895.db2.gz RTOGMQKHNJOOJC-MRXNPFEDSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COCC2CC2)C1 ZINC001107766397 817993900 /nfs/dbraw/zinc/99/39/00/817993900.db2.gz RTOGMQKHNJOOJC-MRXNPFEDSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766390 817994008 /nfs/dbraw/zinc/99/40/08/817994008.db2.gz RSIUDVAYUMKWMM-GDBMZVCRSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766390 817994014 /nfs/dbraw/zinc/99/40/14/817994014.db2.gz RSIUDVAYUMKWMM-GDBMZVCRSA-N 1 2 294.395 0.786 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC(C)C)C1 ZINC001107790532 818008223 /nfs/dbraw/zinc/00/82/23/818008223.db2.gz ITBCAAMPZXJTHZ-HNNXBMFYSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)COC(C)C)C1 ZINC001107790532 818008230 /nfs/dbraw/zinc/00/82/30/818008230.db2.gz ITBCAAMPZXJTHZ-HNNXBMFYSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nnn(C)c21 ZINC001032823371 818071579 /nfs/dbraw/zinc/07/15/79/818071579.db2.gz BYCWURRRSRPMFJ-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nnn(C)c21 ZINC001032823371 818071583 /nfs/dbraw/zinc/07/15/83/818071583.db2.gz BYCWURRRSRPMFJ-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001043438530 818081726 /nfs/dbraw/zinc/08/17/26/818081726.db2.gz ZDTHVUFWNGLSDW-LBPRGKRZSA-N 1 2 289.383 0.478 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070338 818522146 /nfs/dbraw/zinc/52/21/46/818522146.db2.gz RAQSFCPABPAFRN-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070338 818522153 /nfs/dbraw/zinc/52/21/53/818522153.db2.gz RAQSFCPABPAFRN-AWEZNQCLSA-N 1 2 282.384 0.806 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033379144 818748948 /nfs/dbraw/zinc/74/89/48/818748948.db2.gz SPYNFKWDPHGWFR-SECBINFHSA-N 1 2 292.364 0.138 20 30 CCEDLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033379144 818748952 /nfs/dbraw/zinc/74/89/52/818748952.db2.gz SPYNFKWDPHGWFR-SECBINFHSA-N 1 2 292.364 0.138 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001033483213 818794906 /nfs/dbraw/zinc/79/49/06/818794906.db2.gz GAYJTONAGZJLAR-NSHDSACASA-N 1 2 281.335 0.580 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033483213 818794915 /nfs/dbraw/zinc/79/49/15/818794915.db2.gz GAYJTONAGZJLAR-NSHDSACASA-N 1 2 281.335 0.580 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033777155 818939061 /nfs/dbraw/zinc/93/90/61/818939061.db2.gz STABAPBBLKNRKK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033777155 818939067 /nfs/dbraw/zinc/93/90/67/818939067.db2.gz STABAPBBLKNRKK-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2cnsn2)CCC1 ZINC001129121432 819420598 /nfs/dbraw/zinc/42/05/98/819420598.db2.gz VCOVUNQAHXZKTR-UHFFFAOYSA-N 1 2 278.381 0.938 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nonc2C)CCC1 ZINC001129121128 819420841 /nfs/dbraw/zinc/42/08/41/819420841.db2.gz MBRRXIYXZSAHTJ-UHFFFAOYSA-N 1 2 276.340 0.777 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001035280308 819446425 /nfs/dbraw/zinc/44/64/25/819446425.db2.gz AUNYULGBRDVFMS-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001035280308 819446429 /nfs/dbraw/zinc/44/64/29/819446429.db2.gz AUNYULGBRDVFMS-LBPRGKRZSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035308043 819459552 /nfs/dbraw/zinc/45/95/52/819459552.db2.gz XKZAHAPCGGRDRB-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001035308043 819459557 /nfs/dbraw/zinc/45/95/57/819459557.db2.gz XKZAHAPCGGRDRB-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C/C=C(/C)C=C)[C@@H](n2ccnn2)C1 ZINC001129165539 819469488 /nfs/dbraw/zinc/46/94/88/819469488.db2.gz YXRUCKZKLIXADG-KERCULKWSA-N 1 2 299.378 0.775 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C/C=C(/C)C=C)[C@@H](n2ccnn2)C1 ZINC001129165539 819469494 /nfs/dbraw/zinc/46/94/94/819469494.db2.gz YXRUCKZKLIXADG-KERCULKWSA-N 1 2 299.378 0.775 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC001035351082 819494874 /nfs/dbraw/zinc/49/48/74/819494874.db2.gz VMPZHTKVLOYYEW-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC001035351082 819494879 /nfs/dbraw/zinc/49/48/79/819494879.db2.gz VMPZHTKVLOYYEW-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379389 819510443 /nfs/dbraw/zinc/51/04/43/819510443.db2.gz PUTOLAGQFHKLNV-SCRDCRAPSA-N 1 2 266.341 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379389 819510445 /nfs/dbraw/zinc/51/04/45/819510445.db2.gz PUTOLAGQFHKLNV-SCRDCRAPSA-N 1 2 266.341 0.026 20 30 CCEDLO C=CCCN1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035416712 819519268 /nfs/dbraw/zinc/51/92/68/819519268.db2.gz MVDXLQUAODYWJV-HUUCEWRRSA-N 1 2 295.427 0.864 20 30 CCEDLO C=CCCN1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035416712 819519273 /nfs/dbraw/zinc/51/92/73/819519273.db2.gz MVDXLQUAODYWJV-HUUCEWRRSA-N 1 2 295.427 0.864 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001035463616 819537071 /nfs/dbraw/zinc/53/70/71/819537071.db2.gz KIKLZCMNXBGSFM-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001035463616 819537074 /nfs/dbraw/zinc/53/70/74/819537074.db2.gz KIKLZCMNXBGSFM-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035518184 819542822 /nfs/dbraw/zinc/54/28/22/819542822.db2.gz DANVRCVRYBFVMN-RQJABVFESA-N 1 2 280.368 0.557 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001035518184 819542827 /nfs/dbraw/zinc/54/28/27/819542827.db2.gz DANVRCVRYBFVMN-RQJABVFESA-N 1 2 280.368 0.557 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nccs2)C1 ZINC001035556535 819567538 /nfs/dbraw/zinc/56/75/38/819567538.db2.gz SOHIFIAFJDGHFA-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nccs2)C1 ZINC001035556535 819567542 /nfs/dbraw/zinc/56/75/42/819567542.db2.gz SOHIFIAFJDGHFA-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCC=C)[C@@H](n2ccnn2)C1 ZINC001129209929 819653810 /nfs/dbraw/zinc/65/38/10/819653810.db2.gz LITRQIHELIHQRJ-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCC=C)[C@@H](n2ccnn2)C1 ZINC001129209929 819653818 /nfs/dbraw/zinc/65/38/18/819653818.db2.gz LITRQIHELIHQRJ-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001036277399 819719055 /nfs/dbraw/zinc/71/90/55/819719055.db2.gz WZULLFRPWISWTB-JSGCOSHPSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001083872139 819981030 /nfs/dbraw/zinc/98/10/30/819981030.db2.gz QWNSOLRXVCZQHD-DFBGVHRSSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001083872139 819981035 /nfs/dbraw/zinc/98/10/35/819981035.db2.gz QWNSOLRXVCZQHD-DFBGVHRSSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1[nH]c(C)cc1C)C2 ZINC001273182204 820086657 /nfs/dbraw/zinc/08/66/57/820086657.db2.gz WCCLXXWZXNGMTM-UHFFFAOYSA-N 1 2 287.363 0.678 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](O)C1 ZINC001083910478 820218116 /nfs/dbraw/zinc/21/81/16/820218116.db2.gz HFYSKWGIRIQRQA-OLZOCXBDSA-N 1 2 288.351 0.085 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](O)C1 ZINC001083910478 820218125 /nfs/dbraw/zinc/21/81/25/820218125.db2.gz HFYSKWGIRIQRQA-OLZOCXBDSA-N 1 2 288.351 0.085 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001079558702 820426671 /nfs/dbraw/zinc/42/66/71/820426671.db2.gz JHEKHJPQUQKAMK-YUSALJHKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001079558702 820426675 /nfs/dbraw/zinc/42/66/75/820426675.db2.gz JHEKHJPQUQKAMK-YUSALJHKSA-N 1 2 299.802 0.702 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079855585 820478271 /nfs/dbraw/zinc/47/82/71/820478271.db2.gz HHGQSSLPAPDWHB-VXGBXAGGSA-N 1 2 290.367 0.210 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079855585 820478275 /nfs/dbraw/zinc/47/82/75/820478275.db2.gz HHGQSSLPAPDWHB-VXGBXAGGSA-N 1 2 290.367 0.210 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001080032044 820507783 /nfs/dbraw/zinc/50/77/83/820507783.db2.gz MLBMVOTWQAUBEX-LLVKDONJSA-N 1 2 289.339 0.102 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@H](OC)C1 ZINC001081364067 820747462 /nfs/dbraw/zinc/74/74/62/820747462.db2.gz PLFZBVBSTWIYNY-MWLCHTKSSA-N 1 2 282.727 0.995 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@H](OC)C1 ZINC001081364067 820747466 /nfs/dbraw/zinc/74/74/66/820747466.db2.gz PLFZBVBSTWIYNY-MWLCHTKSSA-N 1 2 282.727 0.995 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001081557706 820788625 /nfs/dbraw/zinc/78/86/25/820788625.db2.gz XWSNVZQJARQLMK-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001081557706 820788632 /nfs/dbraw/zinc/78/86/32/820788632.db2.gz XWSNVZQJARQLMK-ZYHUDNBSSA-N 1 2 293.323 0.136 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@H](OC)C1 ZINC001082009711 820880412 /nfs/dbraw/zinc/88/04/12/820880412.db2.gz QICOVNZGNICNJU-ZIAGYGMSSA-N 1 2 290.367 0.424 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@H](OC)C1 ZINC001082009711 820880424 /nfs/dbraw/zinc/88/04/24/820880424.db2.gz QICOVNZGNICNJU-ZIAGYGMSSA-N 1 2 290.367 0.424 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001082189646 820912208 /nfs/dbraw/zinc/91/22/08/820912208.db2.gz GSMKPJWUNJJNRO-TZMCWYRMSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001082189646 820912215 /nfs/dbraw/zinc/91/22/15/820912215.db2.gz GSMKPJWUNJJNRO-TZMCWYRMSA-N 1 2 291.351 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001082268062 820923486 /nfs/dbraw/zinc/92/34/86/820923486.db2.gz NLGVAIFEQDQNGN-ZYHUDNBSSA-N 1 2 278.308 0.350 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001082268062 820923489 /nfs/dbraw/zinc/92/34/89/820923489.db2.gz NLGVAIFEQDQNGN-ZYHUDNBSSA-N 1 2 278.308 0.350 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@H](OC)C1 ZINC001082292417 820930604 /nfs/dbraw/zinc/93/06/04/820930604.db2.gz MHALKBDOIDVJLP-CHWSQXEVSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@H](OC)C1 ZINC001082292417 820930609 /nfs/dbraw/zinc/93/06/09/820930609.db2.gz MHALKBDOIDVJLP-CHWSQXEVSA-N 1 2 289.335 0.614 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164492892 820940216 /nfs/dbraw/zinc/94/02/16/820940216.db2.gz JPHXFRQWMINJQH-UHFFFAOYSA-N 1 2 283.238 0.906 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)o1 ZINC001082451375 820972322 /nfs/dbraw/zinc/97/23/22/820972322.db2.gz YAQBNNSSKPUQBK-FXPVBKGRSA-N 1 2 277.328 0.474 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC=CCC3)[C@H]2C1 ZINC001082996824 821098864 /nfs/dbraw/zinc/09/88/64/821098864.db2.gz AHNFMVDHURTJBU-SOUVJXGZSA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC=CCC3)[C@H]2C1 ZINC001082996824 821098874 /nfs/dbraw/zinc/09/88/74/821098874.db2.gz AHNFMVDHURTJBU-SOUVJXGZSA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3C)[C@H]2C1 ZINC001083041992 821124045 /nfs/dbraw/zinc/12/40/45/821124045.db2.gz NNEYNHJUURZIEI-UONOGXRCSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3C)[C@H]2C1 ZINC001083041992 821124047 /nfs/dbraw/zinc/12/40/47/821124047.db2.gz NNEYNHJUURZIEI-UONOGXRCSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 ZINC001083064516 821131271 /nfs/dbraw/zinc/13/12/71/821131271.db2.gz NEDSOQPJTXVSAI-FIQHERPVSA-N 1 2 284.306 0.432 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 ZINC001083064516 821131277 /nfs/dbraw/zinc/13/12/77/821131277.db2.gz NEDSOQPJTXVSAI-FIQHERPVSA-N 1 2 284.306 0.432 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(C)n3)[C@H]2C1 ZINC001083057763 821132096 /nfs/dbraw/zinc/13/20/96/821132096.db2.gz ZUBWVLOLWUSCSF-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(C)n3)[C@H]2C1 ZINC001083057763 821132101 /nfs/dbraw/zinc/13/21/01/821132101.db2.gz ZUBWVLOLWUSCSF-QWHCGFSZSA-N 1 2 277.324 0.694 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC001083089069 821139655 /nfs/dbraw/zinc/13/96/55/821139655.db2.gz PNNWLQRHKLCMFQ-UONOGXRCSA-N 1 2 273.336 0.563 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC001083089069 821139656 /nfs/dbraw/zinc/13/96/56/821139656.db2.gz PNNWLQRHKLCMFQ-UONOGXRCSA-N 1 2 273.336 0.563 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3cccnc3)[C@H]2C1 ZINC001083133401 821141866 /nfs/dbraw/zinc/14/18/66/821141866.db2.gz UDIRCAMBIDHKLL-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3cccnc3)[C@H]2C1 ZINC001083133401 821141877 /nfs/dbraw/zinc/14/18/77/821141877.db2.gz UDIRCAMBIDHKLL-JKSUJKDBSA-N 1 2 299.374 0.559 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnco3)[C@H]2C1 ZINC001083157254 821150207 /nfs/dbraw/zinc/15/02/07/821150207.db2.gz MNDCHLINVYVZHE-WCQYABFASA-N 1 2 275.308 0.223 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnco3)[C@H]2C1 ZINC001083157254 821150211 /nfs/dbraw/zinc/15/02/11/821150211.db2.gz MNDCHLINVYVZHE-WCQYABFASA-N 1 2 275.308 0.223 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccccc43)[C@H]2C1 ZINC001083179817 821158717 /nfs/dbraw/zinc/15/87/17/821158717.db2.gz KBLIGTRVBMBWJB-IXDOHACOSA-N 1 2 296.370 0.871 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccccc43)[C@H]2C1 ZINC001083179817 821158721 /nfs/dbraw/zinc/15/87/21/821158721.db2.gz KBLIGTRVBMBWJB-IXDOHACOSA-N 1 2 296.370 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(CCC)nc2C)[C@@H](O)C1 ZINC001083956433 821171491 /nfs/dbraw/zinc/17/14/91/821171491.db2.gz NIXPANIYZSXPEK-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CCC)nc2C)[C@@H](O)C1 ZINC001083956433 821171498 /nfs/dbraw/zinc/17/14/98/821171498.db2.gz NIXPANIYZSXPEK-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001083957607 821174192 /nfs/dbraw/zinc/17/41/92/821174192.db2.gz HCPLOMLKIQYNMJ-KGLIPLIRSA-N 1 2 290.363 0.949 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001083957607 821174195 /nfs/dbraw/zinc/17/41/95/821174195.db2.gz HCPLOMLKIQYNMJ-KGLIPLIRSA-N 1 2 290.363 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](O)C1 ZINC001084107660 821200367 /nfs/dbraw/zinc/20/03/67/821200367.db2.gz NXMNJVQGXJMXLO-MRKIUDBFSA-N 1 2 274.364 0.073 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](O)C1 ZINC001084107660 821200372 /nfs/dbraw/zinc/20/03/72/821200372.db2.gz NXMNJVQGXJMXLO-MRKIUDBFSA-N 1 2 274.364 0.073 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464866 821294276 /nfs/dbraw/zinc/29/42/76/821294276.db2.gz WMFXAIIQNFVAQV-MGPQQGTHSA-N 1 2 299.378 0.502 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084621869 821326917 /nfs/dbraw/zinc/32/69/17/821326917.db2.gz AYRWQANHXDBMHY-ZIAGYGMSSA-N 1 2 298.346 0.076 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001084621869 821326926 /nfs/dbraw/zinc/32/69/26/821326926.db2.gz AYRWQANHXDBMHY-ZIAGYGMSSA-N 1 2 298.346 0.076 20 30 CCEDLO C=CCCOCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001119599006 821388248 /nfs/dbraw/zinc/38/82/48/821388248.db2.gz XJSAZCJOVQKWFJ-WYMLVPIESA-N 1 2 282.384 0.974 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230785840 821449528 /nfs/dbraw/zinc/44/95/28/821449528.db2.gz PWRFLHCBTAORHS-STQMWFEESA-N 1 2 281.400 0.867 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230785840 821449535 /nfs/dbraw/zinc/44/95/35/821449535.db2.gz PWRFLHCBTAORHS-STQMWFEESA-N 1 2 281.400 0.867 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000712277151 821463619 /nfs/dbraw/zinc/46/36/19/821463619.db2.gz PDAZQZDYDXBCTL-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000712277151 821463622 /nfs/dbraw/zinc/46/36/22/821463622.db2.gz PDAZQZDYDXBCTL-LLVKDONJSA-N 1 2 280.353 0.326 20 30 CCEDLO CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001065681902 821579539 /nfs/dbraw/zinc/57/95/39/821579539.db2.gz ZBFZVNQFGIYWLM-OAHLLOKOSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562243 821801871 /nfs/dbraw/zinc/80/18/71/821801871.db2.gz HEGLHMQAYIVCFV-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562243 821801882 /nfs/dbraw/zinc/80/18/82/821801882.db2.gz HEGLHMQAYIVCFV-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085613838 821851304 /nfs/dbraw/zinc/85/13/04/821851304.db2.gz ZMJUMTCELYEGFB-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085613838 821851314 /nfs/dbraw/zinc/85/13/14/821851314.db2.gz ZMJUMTCELYEGFB-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001085622045 821856584 /nfs/dbraw/zinc/85/65/84/821856584.db2.gz IWCOCHJOMSLQSK-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001085622045 821856591 /nfs/dbraw/zinc/85/65/91/821856591.db2.gz IWCOCHJOMSLQSK-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085644043 821866860 /nfs/dbraw/zinc/86/68/60/821866860.db2.gz DSKGUOSHXGNAQO-GFCCVEGCSA-N 1 2 298.350 0.523 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001085644043 821866870 /nfs/dbraw/zinc/86/68/70/821866870.db2.gz DSKGUOSHXGNAQO-GFCCVEGCSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085665698 821886092 /nfs/dbraw/zinc/88/60/92/821886092.db2.gz ODJKAZUQGLAYJK-CYBMUJFWSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085665698 821886102 /nfs/dbraw/zinc/88/61/02/821886102.db2.gz ODJKAZUQGLAYJK-CYBMUJFWSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2cccnc2n1 ZINC001085696157 821904746 /nfs/dbraw/zinc/90/47/46/821904746.db2.gz BIMHEBNURZGTPW-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2cccnc2n1 ZINC001085696157 821904757 /nfs/dbraw/zinc/90/47/57/821904757.db2.gz BIMHEBNURZGTPW-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085761081 821938682 /nfs/dbraw/zinc/93/86/82/821938682.db2.gz ZWKBGVMXJWXPLY-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085761081 821938686 /nfs/dbraw/zinc/93/86/86/821938686.db2.gz ZWKBGVMXJWXPLY-LBPRGKRZSA-N 1 2 290.367 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085882932 821997113 /nfs/dbraw/zinc/99/71/13/821997113.db2.gz QDKIEBKKUUHLDV-CYBMUJFWSA-N 1 2 297.362 0.899 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085882932 821997114 /nfs/dbraw/zinc/99/71/14/821997114.db2.gz QDKIEBKKUUHLDV-CYBMUJFWSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001085922629 822017814 /nfs/dbraw/zinc/01/78/14/822017814.db2.gz HJIBWWJKEYBKHB-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001085922629 822017824 /nfs/dbraw/zinc/01/78/24/822017824.db2.gz HJIBWWJKEYBKHB-NEPJUHHUSA-N 1 2 287.367 0.076 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001108233367 822067983 /nfs/dbraw/zinc/06/79/83/822067983.db2.gz SHXISMMOMQZGBO-ZFWWWQNUSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001108233367 822067993 /nfs/dbraw/zinc/06/79/93/822067993.db2.gz SHXISMMOMQZGBO-ZFWWWQNUSA-N 1 2 297.399 0.294 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086407136 822241037 /nfs/dbraw/zinc/24/10/37/822241037.db2.gz UUBUBNZLOXYGRB-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287093 822302487 /nfs/dbraw/zinc/30/24/87/822302487.db2.gz KPUJZELAGDLJGH-CQSZACIVSA-N 1 2 293.371 0.592 20 30 CCEDLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114064669 837424983 /nfs/dbraw/zinc/42/49/83/837424983.db2.gz UCPRHLZDAFXYQK-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001114064669 837424993 /nfs/dbraw/zinc/42/49/93/837424993.db2.gz UCPRHLZDAFXYQK-QAHWYCSRSA-N 1 2 275.312 0.084 20 30 CCEDLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114064467 837425587 /nfs/dbraw/zinc/42/55/87/837425587.db2.gz RHOJQKPNCYMUPQ-MVVXRAEJSA-N 1 2 274.324 0.689 20 30 CCEDLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)o1 ZINC001114064467 837425590 /nfs/dbraw/zinc/42/55/90/837425590.db2.gz RHOJQKPNCYMUPQ-MVVXRAEJSA-N 1 2 274.324 0.689 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114194267 837468752 /nfs/dbraw/zinc/46/87/52/837468752.db2.gz NMBLUPCFDHGNTB-PAPYEOQZSA-N 1 2 291.351 0.548 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114194267 837468757 /nfs/dbraw/zinc/46/87/57/837468757.db2.gz NMBLUPCFDHGNTB-PAPYEOQZSA-N 1 2 291.351 0.548 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090482353 837703594 /nfs/dbraw/zinc/70/35/94/837703594.db2.gz MAJYXWHEURYKPQ-ZJUUUORDSA-N 1 2 299.762 0.031 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090482353 837703601 /nfs/dbraw/zinc/70/36/01/837703601.db2.gz MAJYXWHEURYKPQ-ZJUUUORDSA-N 1 2 299.762 0.031 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090482347 837705150 /nfs/dbraw/zinc/70/51/50/837705150.db2.gz MAJYXWHEURYKPQ-UWVGGRQHSA-N 1 2 299.762 0.031 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001090482347 837705155 /nfs/dbraw/zinc/70/51/55/837705155.db2.gz MAJYXWHEURYKPQ-UWVGGRQHSA-N 1 2 299.762 0.031 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001108377106 835993753 /nfs/dbraw/zinc/99/37/53/835993753.db2.gz WXQNTDMFZHWKQO-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001108377106 835993758 /nfs/dbraw/zinc/99/37/58/835993758.db2.gz WXQNTDMFZHWKQO-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC001183951192 844124303 /nfs/dbraw/zinc/12/43/03/844124303.db2.gz SIAXVWYAPWWVJA-LBPRGKRZSA-N 1 2 283.372 0.697 20 30 CCEDLO CCOC(=O)N1CCC[C@H](N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001169681690 836419027 /nfs/dbraw/zinc/41/90/27/836419027.db2.gz JDUZUYYVVXIWFO-QWHCGFSZSA-N 1 2 280.372 0.795 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108944042 836580130 /nfs/dbraw/zinc/58/01/30/836580130.db2.gz JRAPHGYYKDXASJ-NDBYEHHHSA-N 1 2 292.383 0.394 20 30 CCEDLO CC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108944042 836580141 /nfs/dbraw/zinc/58/01/41/836580141.db2.gz JRAPHGYYKDXASJ-NDBYEHHHSA-N 1 2 292.383 0.394 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109209138 836638866 /nfs/dbraw/zinc/63/88/66/836638866.db2.gz KRKYRPSGDWALOX-WOPDTQHZSA-N 1 2 273.340 0.587 20 30 CCEDLO C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001109255090 836648393 /nfs/dbraw/zinc/64/83/93/836648393.db2.gz LXRLWFGTMUPAPT-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109267515 836650174 /nfs/dbraw/zinc/65/01/74/836650174.db2.gz PMSNDYVRKAINMK-NDBYEHHHSA-N 1 2 268.332 0.716 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109267515 836650179 /nfs/dbraw/zinc/65/01/79/836650179.db2.gz PMSNDYVRKAINMK-NDBYEHHHSA-N 1 2 268.332 0.716 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109769505 836725875 /nfs/dbraw/zinc/72/58/75/836725875.db2.gz GLXMKAMXCJYRRW-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109769505 836725878 /nfs/dbraw/zinc/72/58/78/836725878.db2.gz GLXMKAMXCJYRRW-WOPDTQHZSA-N 1 2 279.384 0.796 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112710904 836882384 /nfs/dbraw/zinc/88/23/84/836882384.db2.gz LAWJHNLZYRJRLH-LBPRGKRZSA-N 1 2 265.357 0.717 20 30 CCEDLO C#CCCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112803090 836918008 /nfs/dbraw/zinc/91/80/08/836918008.db2.gz QWDVITKNVSRLSZ-UHFFFAOYSA-N 1 2 274.368 0.868 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112801596 836920006 /nfs/dbraw/zinc/92/00/06/836920006.db2.gz XUSCTNOBCHJFKD-OAHLLOKOSA-N 1 2 292.383 0.391 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001113057382 837011851 /nfs/dbraw/zinc/01/18/51/837011851.db2.gz OVSAKAAPKWDWCX-UHFFFAOYSA-N 1 2 292.383 0.933 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnnc2)CC1 ZINC001113377955 837104310 /nfs/dbraw/zinc/10/43/10/837104310.db2.gz WXYPPDIQQVKUOL-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC001113556133 837156911 /nfs/dbraw/zinc/15/69/11/837156911.db2.gz GLMQSOTVJZSSGO-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 ZINC001113542102 837157782 /nfs/dbraw/zinc/15/77/82/837157782.db2.gz OAQVIBNORSBXFF-LLVKDONJSA-N 1 2 282.388 0.400 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1cnc(C#N)cn1 ZINC001113644974 837187021 /nfs/dbraw/zinc/18/70/21/837187021.db2.gz ONULMVQQOCBLOV-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOCCOC)CC1 ZINC001113713440 837204476 /nfs/dbraw/zinc/20/44/76/837204476.db2.gz QDFRLQAKBDAHGW-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cccc(CC#N)n1 ZINC001170339599 837321401 /nfs/dbraw/zinc/32/14/01/837321401.db2.gz MHSJTDZGWJYHJJ-UHFFFAOYSA-N 1 2 257.297 0.849 20 30 CCEDLO COc1ccc(C#N)c(-n2[nH]c(=O)c(CC[NH3+])c2C)n1 ZINC001170344621 837324197 /nfs/dbraw/zinc/32/41/97/837324197.db2.gz PAHSOZXLPTUACG-UHFFFAOYSA-N 1 2 273.296 0.663 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccnc(C#N)n1 ZINC001113898658 837358128 /nfs/dbraw/zinc/35/81/28/837358128.db2.gz ZFOFFEAOOFNDDZ-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO Cn1c[nH+]cc1-c1cccc(N[C@@H](C#N)C(N)=O)c1 ZINC001170534457 837980141 /nfs/dbraw/zinc/98/01/41/837980141.db2.gz AVTSPRQHUPTGMF-NSHDSACASA-N 1 2 255.281 0.876 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131950281 838276167 /nfs/dbraw/zinc/27/61/67/838276167.db2.gz JXDLZYWDAFRCCA-ZYFYVMIWSA-N 1 2 292.383 0.561 20 30 CCEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131950281 838276174 /nfs/dbraw/zinc/27/61/74/838276174.db2.gz JXDLZYWDAFRCCA-ZYFYVMIWSA-N 1 2 292.383 0.561 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132568753 838437743 /nfs/dbraw/zinc/43/77/43/838437743.db2.gz DCDFOMRQXXHKFH-MNOVXSKESA-N 1 2 296.371 0.880 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132569134 838437790 /nfs/dbraw/zinc/43/77/90/838437790.db2.gz LGLVKBCQTDAFPQ-QWRGUYRKSA-N 1 2 295.387 0.800 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090651128 839704280 /nfs/dbraw/zinc/70/42/80/839704280.db2.gz PLWDMPCSHFKUGJ-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090651128 839704297 /nfs/dbraw/zinc/70/42/97/839704297.db2.gz PLWDMPCSHFKUGJ-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090651129 839706212 /nfs/dbraw/zinc/70/62/12/839706212.db2.gz PLWDMPCSHFKUGJ-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090651129 839706225 /nfs/dbraw/zinc/70/62/25/839706225.db2.gz PLWDMPCSHFKUGJ-PWSUYJOCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C(F)(F)F ZINC001144208961 839976925 /nfs/dbraw/zinc/97/69/25/839976925.db2.gz YBXUZYWQIWNTDU-MRVPVSSYSA-N 1 2 252.236 0.552 20 30 CCEDLO C=C(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(F)(F)F ZINC001144208961 839976931 /nfs/dbraw/zinc/97/69/31/839976931.db2.gz YBXUZYWQIWNTDU-MRVPVSSYSA-N 1 2 252.236 0.552 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091078910 840039355 /nfs/dbraw/zinc/03/93/55/840039355.db2.gz LFZZIWMXWNLDMD-KIDURHIOSA-N 1 2 273.340 0.521 20 30 CCEDLO N#Cc1cnn(C(=O)Cc2cn3c([nH+]2)CCCC3)c1N ZINC001149424519 840409640 /nfs/dbraw/zinc/40/96/40/840409640.db2.gz GISQUZQONRIATC-UHFFFAOYSA-N 1 2 270.296 0.753 20 30 CCEDLO N#CCN1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652768 841052568 /nfs/dbraw/zinc/05/25/68/841052568.db2.gz FXYNKZVLGQPNMM-GFCCVEGCSA-N 1 2 291.355 0.073 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001093529347 841311166 /nfs/dbraw/zinc/31/11/66/841311166.db2.gz VTLQFGYIQDVFBR-JTQLQIEISA-N 1 2 288.355 0.152 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001093529347 841311178 /nfs/dbraw/zinc/31/11/78/841311178.db2.gz VTLQFGYIQDVFBR-JTQLQIEISA-N 1 2 288.355 0.152 20 30 CCEDLO C=CCCOCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093692184 841428207 /nfs/dbraw/zinc/42/82/07/841428207.db2.gz RBUYXMVNSVODGN-UHFFFAOYSA-N 1 2 264.329 0.906 20 30 CCEDLO Cc1ccc(C#N)c(NCCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001093750360 841449959 /nfs/dbraw/zinc/44/99/59/841449959.db2.gz XMWYGTMBSHPMPZ-UHFFFAOYSA-N 1 2 298.350 0.766 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001094220030 841559475 /nfs/dbraw/zinc/55/94/75/841559475.db2.gz AWAHVSRMZUVFOU-VXGBXAGGSA-N 1 2 296.334 0.430 20 30 CCEDLO N#Cc1cnccc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001094220030 841559480 /nfs/dbraw/zinc/55/94/80/841559480.db2.gz AWAHVSRMZUVFOU-VXGBXAGGSA-N 1 2 296.334 0.430 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C)nn2)C1 ZINC001094270556 841577315 /nfs/dbraw/zinc/57/73/15/841577315.db2.gz BQUIHSADKIREKW-GXFFZTMASA-N 1 2 275.356 0.593 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3=CCCC3)nn2)C1 ZINC001094283820 841589409 /nfs/dbraw/zinc/58/94/09/841589409.db2.gz JQJQIDJOCUBIBX-UHFFFAOYSA-N 1 2 299.378 0.885 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)Cn1cc[nH+]c1 ZINC001094471571 841641907 /nfs/dbraw/zinc/64/19/07/841641907.db2.gz KZGPQESAXQOWQN-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO Cc1cc(NCCCNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001094550538 841672049 /nfs/dbraw/zinc/67/20/49/841672049.db2.gz HZIRUZRSDBKWLD-UHFFFAOYSA-N 1 2 298.350 0.568 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 ZINC001094770589 841720854 /nfs/dbraw/zinc/72/08/54/841720854.db2.gz APUUYOQESNHRNR-NQBHXWOUSA-N 1 2 277.368 0.230 20 30 CCEDLO N#Cc1cnc(NCCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001094808699 841728634 /nfs/dbraw/zinc/72/86/34/841728634.db2.gz NVHVVIMYAZMXHV-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C[C@H](CCCC#N)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001172478384 841931653 /nfs/dbraw/zinc/93/16/53/841931653.db2.gz BZBKSTGGDQBYMP-SECBINFHSA-N 1 2 265.317 0.943 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095064694 842018294 /nfs/dbraw/zinc/01/82/94/842018294.db2.gz WWSCEJMZEZIVCS-DGCLKSJQSA-N 1 2 288.351 0.836 20 30 CCEDLO COC(=O)[C@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)O ZINC001173329251 842043369 /nfs/dbraw/zinc/04/33/69/842043369.db2.gz BGZZYWOEJJGCBM-HBIQZDMRSA-N 1 2 254.330 0.971 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176832708 842417574 /nfs/dbraw/zinc/41/75/74/842417574.db2.gz ZEULAMSLKZUQRF-UHFFFAOYSA-N 1 2 276.296 0.258 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001176874825 842434781 /nfs/dbraw/zinc/43/47/81/842434781.db2.gz ATYDUHNQJWKCTO-KBPBESRZSA-N 1 2 298.383 0.137 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001176874825 842434789 /nfs/dbraw/zinc/43/47/89/842434789.db2.gz ATYDUHNQJWKCTO-KBPBESRZSA-N 1 2 298.383 0.137 20 30 CCEDLO N#Cc1cnc(CNC(=O)CCn2cc[nH+]c2)s1 ZINC001176884274 842442624 /nfs/dbraw/zinc/44/26/24/842442624.db2.gz ZLUJRPVYTJQYQE-UHFFFAOYSA-N 1 2 261.310 0.918 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177163046 842513869 /nfs/dbraw/zinc/51/38/69/842513869.db2.gz QTGLLHZQYYHXRT-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177163046 842513881 /nfs/dbraw/zinc/51/38/81/842513881.db2.gz QTGLLHZQYYHXRT-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO Cn1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C#N)n1 ZINC001178101151 842756481 /nfs/dbraw/zinc/75/64/81/842756481.db2.gz QYEXGNSTWLLCNC-VIFPVBQESA-N 1 2 270.296 0.689 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110232924 843059325 /nfs/dbraw/zinc/05/93/25/843059325.db2.gz XJTBXVABWOWNMA-UPJWGTAASA-N 1 2 290.367 0.148 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110232924 843059336 /nfs/dbraw/zinc/05/93/36/843059336.db2.gz XJTBXVABWOWNMA-UPJWGTAASA-N 1 2 290.367 0.148 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CSCC#N)C2)n1 ZINC001181097392 843398448 /nfs/dbraw/zinc/39/84/48/843398448.db2.gz KGBOVTAXEBSEAJ-SNVBAGLBSA-N 1 2 295.368 0.325 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001110265253 843758842 /nfs/dbraw/zinc/75/88/42/843758842.db2.gz JSQVZWHIEMXMDO-SQNXGDPESA-N 1 2 299.802 0.985 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(C)=O)C2 ZINC001110265253 843758848 /nfs/dbraw/zinc/75/88/48/843758848.db2.gz JSQVZWHIEMXMDO-SQNXGDPESA-N 1 2 299.802 0.985 20 30 CCEDLO C=CCN1C(=O)COCC12CN(c1cc[nH+]c(OC)c1)C2 ZINC001273584296 845173983 /nfs/dbraw/zinc/17/39/83/845173983.db2.gz AAODJXSVLZGEGY-UHFFFAOYSA-N 1 2 289.335 0.694 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191041326 845575677 /nfs/dbraw/zinc/57/56/77/845575677.db2.gz DKZQNOZGHWOETD-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191041326 845575681 /nfs/dbraw/zinc/57/56/81/845575681.db2.gz DKZQNOZGHWOETD-ZIAGYGMSSA-N 1 2 282.384 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001191705375 845713295 /nfs/dbraw/zinc/71/32/95/845713295.db2.gz OAPFDGHMRFJUGT-RBSFLKMASA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001191705375 845713298 /nfs/dbraw/zinc/71/32/98/845713298.db2.gz OAPFDGHMRFJUGT-RBSFLKMASA-N 1 2 296.411 0.480 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191881156 845751827 /nfs/dbraw/zinc/75/18/27/845751827.db2.gz GYNUGDMXDCKXGF-JQQSAOSDSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191881156 845751832 /nfs/dbraw/zinc/75/18/32/845751832.db2.gz GYNUGDMXDCKXGF-JQQSAOSDSA-N 1 2 257.721 0.060 20 30 CCEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001192151710 845794616 /nfs/dbraw/zinc/79/46/16/845794616.db2.gz CFICVOUXYZRZMR-LLVKDONJSA-N 1 2 276.340 0.295 20 30 CCEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001192151710 845794623 /nfs/dbraw/zinc/79/46/23/845794623.db2.gz CFICVOUXYZRZMR-LLVKDONJSA-N 1 2 276.340 0.295 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COC)O2 ZINC001273644553 845894236 /nfs/dbraw/zinc/89/42/36/845894236.db2.gz BNPCNGGKCDEMBU-ZDUSSCGKSA-N 1 2 298.383 0.185 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1cncc(C#N)c1 ZINC001194121751 846217062 /nfs/dbraw/zinc/21/70/62/846217062.db2.gz SIZQCJBMBGINCR-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001194144323 846225488 /nfs/dbraw/zinc/22/54/88/846225488.db2.gz GXCFXAYKTCHQEP-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001194144323 846225495 /nfs/dbraw/zinc/22/54/95/846225495.db2.gz GXCFXAYKTCHQEP-QWHCGFSZSA-N 1 2 298.408 0.120 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=S)n2C)CC1 ZINC001194248566 846250202 /nfs/dbraw/zinc/25/02/02/846250202.db2.gz IPVDDXKGUOKBFW-UHFFFAOYSA-N 1 2 266.370 0.653 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)NC(C)=O)CO2 ZINC001273676372 846285088 /nfs/dbraw/zinc/28/50/88/846285088.db2.gz UVTAKFRERZXILT-WCQYABFASA-N 1 2 295.383 0.047 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)NC(C)=O)CO2 ZINC001273676370 846286029 /nfs/dbraw/zinc/28/60/29/846286029.db2.gz UVTAKFRERZXILT-AAEUAGOBSA-N 1 2 295.383 0.047 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC001194918852 846417553 /nfs/dbraw/zinc/41/75/53/846417553.db2.gz CQANRKRDBFEIMS-NSHDSACASA-N 1 2 298.412 0.041 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC001194918852 846417558 /nfs/dbraw/zinc/41/75/58/846417558.db2.gz CQANRKRDBFEIMS-NSHDSACASA-N 1 2 298.412 0.041 20 30 CCEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1(C#N)CC1 ZINC001195144158 846472161 /nfs/dbraw/zinc/47/21/61/846472161.db2.gz ADWKZOUMXYXRQE-PHIMTYICSA-N 1 2 269.370 0.398 20 30 CCEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1(C#N)CC1 ZINC001195144158 846472162 /nfs/dbraw/zinc/47/21/62/846472162.db2.gz ADWKZOUMXYXRQE-PHIMTYICSA-N 1 2 269.370 0.398 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)COCCC)CC1 ZINC001195160010 846475798 /nfs/dbraw/zinc/47/57/98/846475798.db2.gz YIZPIVRNRYKFOY-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)COCCC)CC1 ZINC001195160010 846475808 /nfs/dbraw/zinc/47/58/08/846475808.db2.gz YIZPIVRNRYKFOY-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001195312641 846502012 /nfs/dbraw/zinc/50/20/12/846502012.db2.gz UGRNTAMTNLLKLW-VXGBXAGGSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001195312641 846502017 /nfs/dbraw/zinc/50/20/17/846502017.db2.gz UGRNTAMTNLLKLW-VXGBXAGGSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NCC(=O)OCC)CC1 ZINC001195538311 846572027 /nfs/dbraw/zinc/57/20/27/846572027.db2.gz XCZXODOQSHKRJV-UHFFFAOYSA-N 1 2 271.386 0.228 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309119 846620686 /nfs/dbraw/zinc/62/06/86/846620686.db2.gz QVVZRGQYCYFLRV-RYPBNFRJSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309119 846620689 /nfs/dbraw/zinc/62/06/89/846620689.db2.gz QVVZRGQYCYFLRV-RYPBNFRJSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309119 846620679 /nfs/dbraw/zinc/62/06/79/846620679.db2.gz QVVZRGQYCYFLRV-RYPBNFRJSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309119 846620681 /nfs/dbraw/zinc/62/06/81/846620681.db2.gz QVVZRGQYCYFLRV-RYPBNFRJSA-N 1 2 264.222 0.566 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC001195775031 846622169 /nfs/dbraw/zinc/62/21/69/846622169.db2.gz MXJYPMUYDBNKJQ-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC001195775031 846622173 /nfs/dbraw/zinc/62/21/73/846622173.db2.gz MXJYPMUYDBNKJQ-UHFFFAOYSA-N 1 2 293.411 0.705 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195923849 846649521 /nfs/dbraw/zinc/64/95/21/846649521.db2.gz NOBGCKKSBSKCBT-FMKPAKJESA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195923849 846649523 /nfs/dbraw/zinc/64/95/23/846649523.db2.gz NOBGCKKSBSKCBT-FMKPAKJESA-N 1 2 294.395 0.400 20 30 CCEDLO Cc1ncc(C#N)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251007709 846780190 /nfs/dbraw/zinc/78/01/90/846780190.db2.gz XVSUFNRWOYTSLA-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001251832153 847177451 /nfs/dbraw/zinc/17/74/51/847177451.db2.gz DLRXZFLGFYVADR-ZJUUUORDSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001251832153 847177455 /nfs/dbraw/zinc/17/74/55/847177455.db2.gz DLRXZFLGFYVADR-ZJUUUORDSA-N 1 2 251.248 0.676 20 30 CCEDLO C#CCOC[C@@H](O)CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001251851480 847204985 /nfs/dbraw/zinc/20/49/85/847204985.db2.gz LPBBLRZIMDWXTP-ZDUSSCGKSA-N 1 2 288.338 0.412 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001251885604 847341818 /nfs/dbraw/zinc/34/18/18/847341818.db2.gz ZDILPWSPTSSJDK-QWHCGFSZSA-N 1 2 271.357 0.565 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1ccc(C#N)[nH]1 ZINC001199682172 847399505 /nfs/dbraw/zinc/39/95/05/847399505.db2.gz CGRJAZAFWRSEAW-UHFFFAOYSA-N 1 2 273.296 0.659 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)o1 ZINC001273792640 847467144 /nfs/dbraw/zinc/46/71/44/847467144.db2.gz VXKAGJJOLUKMCX-VXGBXAGGSA-N 1 2 274.324 0.577 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)o1 ZINC001273792640 847467145 /nfs/dbraw/zinc/46/71/45/847467145.db2.gz VXKAGJJOLUKMCX-VXGBXAGGSA-N 1 2 274.324 0.577 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110547673 847549716 /nfs/dbraw/zinc/54/97/16/847549716.db2.gz PMSNDYVRKAINMK-LPWJVIDDSA-N 1 2 268.332 0.716 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110547673 847549725 /nfs/dbraw/zinc/54/97/25/847549725.db2.gz PMSNDYVRKAINMK-LPWJVIDDSA-N 1 2 268.332 0.716 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc(C)no1)CC2 ZINC001273816465 847569020 /nfs/dbraw/zinc/56/90/20/847569020.db2.gz SOVQUAWNDUWNFC-LBPRGKRZSA-N 1 2 288.351 0.730 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115288 847927126 /nfs/dbraw/zinc/92/71/26/847927126.db2.gz RQTNPMQBKJEEON-LLVKDONJSA-N 1 2 263.345 0.692 20 30 CCEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cc[nH+]1 ZINC001066603229 847995896 /nfs/dbraw/zinc/99/58/96/847995896.db2.gz XFCOYQJOTCORQZ-CMPLNLGQSA-N 1 2 289.339 0.584 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252547321 848000201 /nfs/dbraw/zinc/00/02/01/848000201.db2.gz FUYLOLXGNCBOCY-JSGCOSHPSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252547321 848000211 /nfs/dbraw/zinc/00/02/11/848000211.db2.gz FUYLOLXGNCBOCY-JSGCOSHPSA-N 1 2 280.372 0.781 20 30 CCEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH+]c3ccccn23)c1=O ZINC000123479208 848078580 /nfs/dbraw/zinc/07/85/80/848078580.db2.gz ARZFHPJFYUWZDY-AATRIKPKSA-N 1 2 296.286 0.617 20 30 CCEDLO C=C(C)CN1C[C@]2(CC[N@@H+](COCCOC)C2)OCC1=O ZINC001273994840 848231576 /nfs/dbraw/zinc/23/15/76/848231576.db2.gz CALAXSINSRVYHK-OAHLLOKOSA-N 1 2 298.383 0.486 20 30 CCEDLO C=C(C)CN1C[C@]2(CC[N@H+](COCCOC)C2)OCC1=O ZINC001273994840 848231584 /nfs/dbraw/zinc/23/15/84/848231584.db2.gz CALAXSINSRVYHK-OAHLLOKOSA-N 1 2 298.383 0.486 20 30 CCEDLO COCCOCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031472 848312244 /nfs/dbraw/zinc/31/22/44/848312244.db2.gz RMBYXNQBEDUIPO-CYBMUJFWSA-N 1 2 295.383 0.739 20 30 CCEDLO CCOC(=O)[C@@H]1CN(C)C(=O)C12CC[NH+](CCC#N)CC2 ZINC001274032559 848313957 /nfs/dbraw/zinc/31/39/57/848313957.db2.gz RXHVGGZQEFVPBJ-LBPRGKRZSA-N 1 2 293.367 0.634 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615248 848522919 /nfs/dbraw/zinc/52/29/19/848522919.db2.gz RDJVKZKMDIDLLI-HZSPNIEDSA-N 1 2 284.306 0.131 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615248 848522930 /nfs/dbraw/zinc/52/29/30/848522930.db2.gz RDJVKZKMDIDLLI-HZSPNIEDSA-N 1 2 284.306 0.131 20 30 CCEDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(C#N)c1 ZINC001275707857 848796670 /nfs/dbraw/zinc/79/66/70/848796670.db2.gz AZUUAKSIFUMFQM-BETUJISGSA-N 1 2 287.319 0.419 20 30 CCEDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(C#N)c1 ZINC001275707857 848796680 /nfs/dbraw/zinc/79/66/80/848796680.db2.gz AZUUAKSIFUMFQM-BETUJISGSA-N 1 2 287.319 0.419 20 30 CCEDLO C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)N(C)CC#N ZINC001275867132 848852099 /nfs/dbraw/zinc/85/20/99/848852099.db2.gz ZLUUSAAIHIQORN-NEPJUHHUSA-N 1 2 275.356 0.406 20 30 CCEDLO CCOCC[NH+]1CC(CCO)(NC(=O)C#CC(C)(C)C)C1 ZINC001276050534 848909897 /nfs/dbraw/zinc/90/98/97/848909897.db2.gz FYYZZLISAULQDS-UHFFFAOYSA-N 1 2 296.411 0.625 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110895188 849015205 /nfs/dbraw/zinc/01/52/05/849015205.db2.gz YAODHBNNOBZXDY-VEGXAWMVSA-N 1 2 290.367 0.004 20 30 CCEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110895188 849015211 /nfs/dbraw/zinc/01/52/11/849015211.db2.gz YAODHBNNOBZXDY-VEGXAWMVSA-N 1 2 290.367 0.004 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCCC2)C[C@@H]1CO ZINC000687624129 849130323 /nfs/dbraw/zinc/13/03/23/849130323.db2.gz DTBNTPWWLWGSHW-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCCC2)C[C@@H]1CO ZINC000687624129 849130329 /nfs/dbraw/zinc/13/03/29/849130329.db2.gz DTBNTPWWLWGSHW-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)C[C@H]1CO ZINC000687627757 849130419 /nfs/dbraw/zinc/13/04/19/849130419.db2.gz OFXGSTRAWORQDT-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@H]1CO ZINC000687627757 849130426 /nfs/dbraw/zinc/13/04/26/849130426.db2.gz OFXGSTRAWORQDT-AWEZNQCLSA-N 1 2 275.352 0.545 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000687624489 849132132 /nfs/dbraw/zinc/13/21/32/849132132.db2.gz NZOPICAZESFUFW-NSHDSACASA-N 1 2 253.346 0.451 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000687624489 849132131 /nfs/dbraw/zinc/13/21/31/849132131.db2.gz NZOPICAZESFUFW-NSHDSACASA-N 1 2 253.346 0.451 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001038625164 849699756 /nfs/dbraw/zinc/69/97/56/849699756.db2.gz JFFIDGJOESFYHZ-STQMWFEESA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001038625164 849699759 /nfs/dbraw/zinc/69/97/59/849699759.db2.gz JFFIDGJOESFYHZ-STQMWFEESA-N 1 2 277.368 0.210 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038637786 849765273 /nfs/dbraw/zinc/76/52/73/849765273.db2.gz DSUNRIOACXFQFP-VXGBXAGGSA-N 1 2 289.383 0.991 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038637786 849765281 /nfs/dbraw/zinc/76/52/81/849765281.db2.gz DSUNRIOACXFQFP-VXGBXAGGSA-N 1 2 289.383 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001038638379 849779100 /nfs/dbraw/zinc/77/91/00/849779100.db2.gz INAQZOQMKJJJTB-STQMWFEESA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001038638379 849779104 /nfs/dbraw/zinc/77/91/04/849779104.db2.gz INAQZOQMKJJJTB-STQMWFEESA-N 1 2 299.365 0.787 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038641740 849791093 /nfs/dbraw/zinc/79/10/93/849791093.db2.gz ZONAHSFNGOKHEQ-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001038641740 849791105 /nfs/dbraw/zinc/79/11/05/849791105.db2.gz ZONAHSFNGOKHEQ-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276377156 849796059 /nfs/dbraw/zinc/79/60/59/849796059.db2.gz SVWMOZZGWKINRN-NWDGAFQWSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038243667 849828152 /nfs/dbraw/zinc/82/81/52/849828152.db2.gz JEIZTMQEHQBLOE-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038243667 849828161 /nfs/dbraw/zinc/82/81/61/849828161.db2.gz JEIZTMQEHQBLOE-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038299104 849841969 /nfs/dbraw/zinc/84/19/69/849841969.db2.gz GSIWBDQZSBTBPW-NSHDSACASA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001038299104 849841988 /nfs/dbraw/zinc/84/19/88/849841988.db2.gz GSIWBDQZSBTBPW-NSHDSACASA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038337405 849855359 /nfs/dbraw/zinc/85/53/59/849855359.db2.gz VOZVRPMURWTGMI-LBPRGKRZSA-N 1 2 273.336 0.525 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038337405 849855363 /nfs/dbraw/zinc/85/53/63/849855363.db2.gz VOZVRPMURWTGMI-LBPRGKRZSA-N 1 2 273.336 0.525 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001038374600 849870968 /nfs/dbraw/zinc/87/09/68/849870968.db2.gz COLDPWSXPXJDAF-NSHDSACASA-N 1 2 296.321 0.894 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001038374600 849870982 /nfs/dbraw/zinc/87/09/82/849870982.db2.gz COLDPWSXPXJDAF-NSHDSACASA-N 1 2 296.321 0.894 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038428266 849893636 /nfs/dbraw/zinc/89/36/36/849893636.db2.gz WQZXJGCDOBQYCH-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001038428266 849893638 /nfs/dbraw/zinc/89/36/38/849893638.db2.gz WQZXJGCDOBQYCH-CHWSQXEVSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001038479080 849918876 /nfs/dbraw/zinc/91/88/76/849918876.db2.gz YLNBBDRXXRPALI-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001038479080 849918877 /nfs/dbraw/zinc/91/88/77/849918877.db2.gz YLNBBDRXXRPALI-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC ZINC001038666286 849976528 /nfs/dbraw/zinc/97/65/28/849976528.db2.gz DVDQLYRQZZIMGK-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC ZINC001038666286 849976535 /nfs/dbraw/zinc/97/65/35/849976535.db2.gz DVDQLYRQZZIMGK-LLVKDONJSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001038700162 849987390 /nfs/dbraw/zinc/98/73/90/849987390.db2.gz CWVBGKXSINGWPU-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001038700162 849987393 /nfs/dbraw/zinc/98/73/93/849987393.db2.gz CWVBGKXSINGWPU-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735736 849993348 /nfs/dbraw/zinc/99/33/48/849993348.db2.gz JRCKTFVREZYMOD-NSHDSACASA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735736 849993355 /nfs/dbraw/zinc/99/33/55/849993355.db2.gz JRCKTFVREZYMOD-NSHDSACASA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001038844323 850043828 /nfs/dbraw/zinc/04/38/28/850043828.db2.gz DDSDBSFFQMSLIV-LBPRGKRZSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001038844323 850043840 /nfs/dbraw/zinc/04/38/40/850043840.db2.gz DDSDBSFFQMSLIV-LBPRGKRZSA-N 1 2 260.341 0.420 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038900235 850072238 /nfs/dbraw/zinc/07/22/38/850072238.db2.gz QJXVWTPEZRJHCQ-CQSZACIVSA-N 1 2 272.352 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038900235 850072243 /nfs/dbraw/zinc/07/22/43/850072243.db2.gz QJXVWTPEZRJHCQ-CQSZACIVSA-N 1 2 272.352 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001038950206 850100510 /nfs/dbraw/zinc/10/05/10/850100510.db2.gz LJRNYIORENCREW-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001038950206 850100515 /nfs/dbraw/zinc/10/05/15/850100515.db2.gz LJRNYIORENCREW-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CNC(C)=O)c1 ZINC001039027237 850127937 /nfs/dbraw/zinc/12/79/37/850127937.db2.gz BENRMCNNPQQHJQ-MRXNPFEDSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CNC(C)=O)c1 ZINC001039027237 850127939 /nfs/dbraw/zinc/12/79/39/850127939.db2.gz BENRMCNNPQQHJQ-MRXNPFEDSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001039055378 850142794 /nfs/dbraw/zinc/14/27/94/850142794.db2.gz WRXRLCJOWKCWOG-GFCCVEGCSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001039055378 850142800 /nfs/dbraw/zinc/14/28/00/850142800.db2.gz WRXRLCJOWKCWOG-GFCCVEGCSA-N 1 2 297.362 0.714 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(OC)ncnc1OC ZINC001039077014 850148675 /nfs/dbraw/zinc/14/86/75/850148675.db2.gz CKPHTPQGKCZNES-JTQLQIEISA-N 1 2 292.339 0.484 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(OC)ncnc1OC ZINC001039077014 850148685 /nfs/dbraw/zinc/14/86/85/850148685.db2.gz CKPHTPQGKCZNES-JTQLQIEISA-N 1 2 292.339 0.484 20 30 CCEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039478724 850196867 /nfs/dbraw/zinc/19/68/67/850196867.db2.gz PRMPCDUMHGUKJN-OLZOCXBDSA-N 1 2 273.340 0.472 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnns3)C[C@H]21 ZINC001041959490 850542844 /nfs/dbraw/zinc/54/28/44/850542844.db2.gz ZYARKFIZHVVRMT-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnns3)C[C@H]21 ZINC001041959490 850542850 /nfs/dbraw/zinc/54/28/50/850542850.db2.gz ZYARKFIZHVVRMT-WDEREUQCSA-N 1 2 276.365 0.708 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nnn(C)c2C)C1 ZINC001042566646 850699645 /nfs/dbraw/zinc/69/96/45/850699645.db2.gz ZZTVQHSGFRRMKD-UHFFFAOYSA-N 1 2 263.345 0.456 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001043133257 850817831 /nfs/dbraw/zinc/81/78/31/850817831.db2.gz PSCWXJSXRJCMKU-ZDUSSCGKSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001043133256 850818782 /nfs/dbraw/zinc/81/87/82/850818782.db2.gz PSCWXJSXRJCMKU-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(Cl)n2C)C1 ZINC001043339423 850857675 /nfs/dbraw/zinc/85/76/75/850857675.db2.gz QSTDZYZQIONPTH-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001043622146 850910965 /nfs/dbraw/zinc/91/09/65/850910965.db2.gz MFSCKFRRGGURAN-ZDUSSCGKSA-N 1 2 279.384 0.714 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001044155002 851025652 /nfs/dbraw/zinc/02/56/52/851025652.db2.gz AOZNLEHJUKBVIB-GXTWGEPZSA-N 1 2 250.342 0.742 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001044160341 851026464 /nfs/dbraw/zinc/02/64/64/851026464.db2.gz VGSWTEPJTISJBK-LBPRGKRZSA-N 1 2 277.368 0.021 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001044177911 851031447 /nfs/dbraw/zinc/03/14/47/851031447.db2.gz XICQJQCZAZPOPH-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO CC#CCN1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044190209 851038768 /nfs/dbraw/zinc/03/87/68/851038768.db2.gz ZDBLTZNEXNEVNV-UHFFFAOYSA-N 1 2 274.368 0.853 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3cc[nH]c23)C1 ZINC001044231343 851046778 /nfs/dbraw/zinc/04/67/78/851046778.db2.gz FSZUHGKVGXAQFW-UHFFFAOYSA-N 1 2 271.324 0.442 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001044244059 851051430 /nfs/dbraw/zinc/05/14/30/851051430.db2.gz FEJVLHJIJQDTSO-CYBMUJFWSA-N 1 2 277.368 0.163 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(C(N)=O)c2)C1 ZINC001044306904 851073443 /nfs/dbraw/zinc/07/34/43/851073443.db2.gz GZXNFZHFXZOJJX-UHFFFAOYSA-N 1 2 288.351 0.513 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044794637 851159849 /nfs/dbraw/zinc/15/98/49/851159849.db2.gz XLBHQLHBZFQOFD-QWRGUYRKSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046015211 851353358 /nfs/dbraw/zinc/35/33/58/851353358.db2.gz MBRYSOIGDYDRJL-UKRRQHHQSA-N 1 2 290.411 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046233052 851432777 /nfs/dbraw/zinc/43/27/77/851432777.db2.gz ANNHPZMUMKWFQZ-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046233052 851432780 /nfs/dbraw/zinc/43/27/80/851432780.db2.gz ANNHPZMUMKWFQZ-BXUZGUMPSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046283344 851451449 /nfs/dbraw/zinc/45/14/49/851451449.db2.gz JCHZBRFWYYLCKT-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046283344 851451446 /nfs/dbraw/zinc/45/14/46/851451446.db2.gz JCHZBRFWYYLCKT-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046446274 851510377 /nfs/dbraw/zinc/51/03/77/851510377.db2.gz XRCVMCXITACHIS-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046446274 851510387 /nfs/dbraw/zinc/51/03/87/851510387.db2.gz XRCVMCXITACHIS-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2snnc2CC)C1 ZINC001046459376 851515274 /nfs/dbraw/zinc/51/52/74/851515274.db2.gz ZXAGTIRXSHMVKB-CYBMUJFWSA-N 1 2 278.381 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2snnc2CC)C1 ZINC001046459376 851515282 /nfs/dbraw/zinc/51/52/82/851515282.db2.gz ZXAGTIRXSHMVKB-CYBMUJFWSA-N 1 2 278.381 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698427 851585351 /nfs/dbraw/zinc/58/53/51/851585351.db2.gz FHVNZVJSMMAXLX-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698427 851585355 /nfs/dbraw/zinc/58/53/55/851585355.db2.gz FHVNZVJSMMAXLX-LBPRGKRZSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2O)C1 ZINC001047307213 851707269 /nfs/dbraw/zinc/70/72/69/851707269.db2.gz FONPNUWOWBVXDS-JSGCOSHPSA-N 1 2 274.320 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2O)C1 ZINC001047307213 851707273 /nfs/dbraw/zinc/70/72/73/851707273.db2.gz FONPNUWOWBVXDS-JSGCOSHPSA-N 1 2 274.320 0.143 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001047358757 851734246 /nfs/dbraw/zinc/73/42/46/851734246.db2.gz JUOHIAQQRWNKQS-JQWIXIFHSA-N 1 2 277.324 0.090 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001047358757 851734252 /nfs/dbraw/zinc/73/42/52/851734252.db2.gz JUOHIAQQRWNKQS-JQWIXIFHSA-N 1 2 277.324 0.090 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001047506189 851794505 /nfs/dbraw/zinc/79/45/05/851794505.db2.gz POWKYPDBUCNPDD-STQMWFEESA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001047506189 851794508 /nfs/dbraw/zinc/79/45/08/851794508.db2.gz POWKYPDBUCNPDD-STQMWFEESA-N 1 2 294.301 0.715 20 30 CCEDLO CCC(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096259744 851871075 /nfs/dbraw/zinc/87/10/75/851871075.db2.gz HXQMCHUZWARFBD-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO C#CC[NH+]1CCN(c2cnc(C(=O)OC)cn2)CC1 ZINC000383717493 851967497 /nfs/dbraw/zinc/96/74/97/851967497.db2.gz JNFKHOMOXPUPNY-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001317439142 909196404 /nfs/dbraw/zinc/19/64/04/909196404.db2.gz NHWRDGNGEHLYQZ-JTQLQIEISA-N 1 2 262.737 0.202 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001317439142 909196409 /nfs/dbraw/zinc/19/64/09/909196409.db2.gz NHWRDGNGEHLYQZ-JTQLQIEISA-N 1 2 262.737 0.202 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096962898 852472963 /nfs/dbraw/zinc/47/29/63/852472963.db2.gz WWSCEJMZEZIVCS-AAEUAGOBSA-N 1 2 288.351 0.836 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccn1 ZINC001051172363 852518178 /nfs/dbraw/zinc/51/81/78/852518178.db2.gz HSUFPDPWFNXTFU-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccn1 ZINC001051172363 852518184 /nfs/dbraw/zinc/51/81/84/852518184.db2.gz HSUFPDPWFNXTFU-LBPRGKRZSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(C)cn1)CCO2 ZINC001053220590 852712339 /nfs/dbraw/zinc/71/23/39/852712339.db2.gz XWYPEAYFOMJWFN-UHFFFAOYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001053365591 852734135 /nfs/dbraw/zinc/73/41/35/852734135.db2.gz ZBCLXRNWSZIEQL-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnon1)CCO2 ZINC001053479052 852747391 /nfs/dbraw/zinc/74/73/91/852747391.db2.gz QQUJXLYFUPMBOR-UHFFFAOYSA-N 1 2 278.312 0.173 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCOC1)CCO2 ZINC001053485971 852748376 /nfs/dbraw/zinc/74/83/76/852748376.db2.gz QQDCLVVIMWCJHT-HNNXBMFYSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001053481696 852748734 /nfs/dbraw/zinc/74/87/34/852748734.db2.gz DEBBFJQGLWBGAE-UHFFFAOYSA-N 1 2 276.340 0.051 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCOCC1)O2 ZINC001053562161 852759918 /nfs/dbraw/zinc/75/99/18/852759918.db2.gz VYFVEAOYYBPGKW-AWEZNQCLSA-N 1 2 294.395 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCOC1)O2 ZINC001053576502 852763665 /nfs/dbraw/zinc/76/36/65/852763665.db2.gz SERIRDDQZNETMM-STQMWFEESA-N 1 2 280.368 0.559 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncn1C)O2 ZINC001053627190 852771231 /nfs/dbraw/zinc/77/12/31/852771231.db2.gz PZFZFTVGISGGKA-GFCCVEGCSA-N 1 2 290.367 0.569 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1csnn1)O2 ZINC001053634386 852772387 /nfs/dbraw/zinc/77/23/87/852772387.db2.gz RQKOXTOWUGQZSW-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnnc1)O2 ZINC001053668731 852773737 /nfs/dbraw/zinc/77/37/37/852773737.db2.gz OBIYZJQIMZFPLS-CYBMUJFWSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)n[nH]1)CO2 ZINC001053750302 852802805 /nfs/dbraw/zinc/80/28/05/852802805.db2.gz KVUAWNRFIKSUHE-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCOC1)CO2 ZINC001053761666 852810166 /nfs/dbraw/zinc/81/01/66/852810166.db2.gz GWIHBXMDASVUQM-KBPBESRZSA-N 1 2 294.395 0.949 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1COC3)CO2 ZINC001053807735 852826627 /nfs/dbraw/zinc/82/66/27/852826627.db2.gz QHNZGWYXMMQNSL-XEZPLFJOSA-N 1 2 292.379 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsn1)CO2 ZINC001053839909 852832588 /nfs/dbraw/zinc/83/25/88/852832588.db2.gz RBMXASFRWLSBTB-LLVKDONJSA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053953847 852855272 /nfs/dbraw/zinc/85/52/72/852855272.db2.gz BKWKQJJDFAOPPD-IHRRRGAJSA-N 1 2 294.395 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ncc[nH]1)CO2 ZINC001053968108 852860377 /nfs/dbraw/zinc/86/03/77/852860377.db2.gz JPCVXNAHRMAQOF-LBPRGKRZSA-N 1 2 290.367 0.488 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1ccc(C#N)nc1 ZINC001097955743 852997443 /nfs/dbraw/zinc/99/74/43/852997443.db2.gz TUEPLXHEKMNWQB-LLVKDONJSA-N 1 2 298.350 0.846 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1ccncc1C#N ZINC001097975406 853059926 /nfs/dbraw/zinc/05/99/26/853059926.db2.gz RANIKXRWYCMQIF-JTQLQIEISA-N 1 2 298.350 0.566 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C ZINC001050846015 853458606 /nfs/dbraw/zinc/45/86/06/853458606.db2.gz UGUGCPLTDPTCMM-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C ZINC001050846015 853458611 /nfs/dbraw/zinc/45/86/11/853458611.db2.gz UGUGCPLTDPTCMM-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867426 853469715 /nfs/dbraw/zinc/46/97/15/853469715.db2.gz GIOHHENJDROTBI-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050867426 853469724 /nfs/dbraw/zinc/46/97/24/853469724.db2.gz GIOHHENJDROTBI-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001050968786 853496967 /nfs/dbraw/zinc/49/69/67/853496967.db2.gz IDHDPAMOZMHPCW-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001050968786 853496973 /nfs/dbraw/zinc/49/69/73/853496973.db2.gz IDHDPAMOZMHPCW-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001051009951 853506075 /nfs/dbraw/zinc/50/60/75/853506075.db2.gz NSPWPEKHRRDOOQ-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncn1C ZINC001051009951 853506081 /nfs/dbraw/zinc/50/60/81/853506081.db2.gz NSPWPEKHRRDOOQ-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO N#CCN1CCOC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001051024789 853508495 /nfs/dbraw/zinc/50/84/95/853508495.db2.gz FADGRQRTLBNTOH-GFCCVEGCSA-N 1 2 299.334 0.288 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001051164043 853534903 /nfs/dbraw/zinc/53/49/03/853534903.db2.gz LVOWRWOUDPZSSV-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001051164043 853534910 /nfs/dbraw/zinc/53/49/10/853534910.db2.gz LVOWRWOUDPZSSV-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998517 853673552 /nfs/dbraw/zinc/67/35/52/853673552.db2.gz VFMPUDSSYXNZCN-KBPBESRZSA-N 1 2 276.384 0.551 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998520 853673592 /nfs/dbraw/zinc/67/35/92/853673592.db2.gz VFMPUDSSYXNZCN-ZIAGYGMSSA-N 1 2 276.384 0.551 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3=CCCC3)C2)CC1 ZINC001052011155 853675765 /nfs/dbraw/zinc/67/57/65/853675765.db2.gz NQOYLQQLZZHTFW-INIZCTEOSA-N 1 2 287.407 0.948 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001052024627 853676871 /nfs/dbraw/zinc/67/68/71/853676871.db2.gz IJEIAUWEQWNACX-CYBMUJFWSA-N 1 2 289.383 0.428 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnco3)C2)CC1 ZINC001052059907 853679098 /nfs/dbraw/zinc/67/90/98/853679098.db2.gz SPTNWLUZFVLWLT-LBPRGKRZSA-N 1 2 289.339 0.030 20 30 CCEDLO N#Cc1cccnc1N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001058393156 853838767 /nfs/dbraw/zinc/83/87/67/853838767.db2.gz PVORLWBXAKSHBB-ZDUSSCGKSA-N 1 2 296.334 0.545 20 30 CCEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001058424702 853843953 /nfs/dbraw/zinc/84/39/53/853843953.db2.gz HGXAHVUFHJXUSE-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@@H](n2ccnn2)C1 ZINC001069911158 853998173 /nfs/dbraw/zinc/99/81/73/853998173.db2.gz YSWPIQXORGGTAR-UPJWGTAASA-N 1 2 287.367 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@@H](n2ccnn2)C1 ZINC001069911158 853998181 /nfs/dbraw/zinc/99/81/81/853998181.db2.gz YSWPIQXORGGTAR-UPJWGTAASA-N 1 2 287.367 0.299 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)OC)CC1 ZINC001070943105 854106815 /nfs/dbraw/zinc/10/68/15/854106815.db2.gz AMQKOLPFWJAOFN-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)OC)CC1 ZINC001070943105 854106818 /nfs/dbraw/zinc/10/68/18/854106818.db2.gz AMQKOLPFWJAOFN-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001072551880 854413860 /nfs/dbraw/zinc/41/38/60/854413860.db2.gz KFBRHGPBTYUSOY-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001072551880 854413865 /nfs/dbraw/zinc/41/38/65/854413865.db2.gz KFBRHGPBTYUSOY-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001072553303 854414397 /nfs/dbraw/zinc/41/43/97/854414397.db2.gz XCJQCFBNNCPGLI-SNVBAGLBSA-N 1 2 291.380 0.732 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001072553303 854414402 /nfs/dbraw/zinc/41/44/02/854414402.db2.gz XCJQCFBNNCPGLI-SNVBAGLBSA-N 1 2 291.380 0.732 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870283 854484663 /nfs/dbraw/zinc/48/46/63/854484663.db2.gz DGYSYXFPXQRPPE-ZDUSSCGKSA-N 1 2 299.378 0.503 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 ZINC001074181685 854690818 /nfs/dbraw/zinc/69/08/18/854690818.db2.gz YKMGVBHNCOZAEI-KBPBESRZSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 ZINC001074181685 854690825 /nfs/dbraw/zinc/69/08/25/854690825.db2.gz YKMGVBHNCOZAEI-KBPBESRZSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001074181685 854690830 /nfs/dbraw/zinc/69/08/30/854690830.db2.gz YKMGVBHNCOZAEI-KBPBESRZSA-N 1 2 290.367 0.901 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001074181685 854690836 /nfs/dbraw/zinc/69/08/36/854690836.db2.gz YKMGVBHNCOZAEI-KBPBESRZSA-N 1 2 290.367 0.901 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001098219602 854852216 /nfs/dbraw/zinc/85/22/16/854852216.db2.gz MCFCJKDXCHIFRH-RTXFEEFZSA-N 1 2 273.340 0.208 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099680827 854963570 /nfs/dbraw/zinc/96/35/70/854963570.db2.gz GXCMWANDJKIVIP-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099680827 854963572 /nfs/dbraw/zinc/96/35/72/854963572.db2.gz GXCMWANDJKIVIP-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C[C@H]1O ZINC001099726061 854976554 /nfs/dbraw/zinc/97/65/54/854976554.db2.gz DAXOCYQFUHMGMM-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C[C@H]1O ZINC001099726061 854976560 /nfs/dbraw/zinc/97/65/60/854976560.db2.gz DAXOCYQFUHMGMM-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCCC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100623490 855198432 /nfs/dbraw/zinc/19/84/32/855198432.db2.gz QQVZDQQTZFTIIF-UHFFFAOYSA-N 1 2 292.387 0.551 20 30 CCEDLO Cc1nc(N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001100950072 855246387 /nfs/dbraw/zinc/24/63/87/855246387.db2.gz NEBDOVPUWFHJFR-CMPLNLGQSA-N 1 2 273.340 0.887 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)COC)c1nccn12 ZINC001101601408 855323468 /nfs/dbraw/zinc/32/34/68/855323468.db2.gz UCONNUPCNOOQDL-GFCCVEGCSA-N 1 2 288.351 0.125 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001101671850 855338285 /nfs/dbraw/zinc/33/82/85/855338285.db2.gz JITCHXGBVWTQIS-UHFFFAOYSA-N 1 2 285.311 0.115 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC001116539532 855783987 /nfs/dbraw/zinc/78/39/87/855783987.db2.gz XZFHRUCUDZWHKN-BXUZGUMPSA-N 1 2 297.355 0.178 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC001116539532 855783990 /nfs/dbraw/zinc/78/39/90/855783990.db2.gz XZFHRUCUDZWHKN-BXUZGUMPSA-N 1 2 297.355 0.178 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nncn1C ZINC001116616477 855798227 /nfs/dbraw/zinc/79/82/27/855798227.db2.gz LODZYNCMDAWFJD-RNCFNFMXSA-N 1 2 276.344 0.274 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001116841775 855844685 /nfs/dbraw/zinc/84/46/85/855844685.db2.gz OTYLZMGSZIEKHS-OLZOCXBDSA-N 1 2 285.388 0.550 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001116918178 855867309 /nfs/dbraw/zinc/86/73/09/855867309.db2.gz VOJINLCPPRBXHV-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001116918178 855867313 /nfs/dbraw/zinc/86/73/13/855867313.db2.gz VOJINLCPPRBXHV-NWDGAFQWSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC001117078908 855906894 /nfs/dbraw/zinc/90/68/94/855906894.db2.gz WZYMMKWTQDRPBP-LLVKDONJSA-N 1 2 276.340 0.565 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nn2c(nc(C)cc2=O)s1 ZINC001118567263 856345583 /nfs/dbraw/zinc/34/55/83/856345583.db2.gz VGGFBNUBIWHMEL-MRVPVSSYSA-N 1 2 266.326 0.096 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001119663926 856825443 /nfs/dbraw/zinc/82/54/43/856825443.db2.gz ZTUABWYVLHFVKB-TZMCWYRMSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001119663926 856825448 /nfs/dbraw/zinc/82/54/48/856825448.db2.gz ZTUABWYVLHFVKB-TZMCWYRMSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](COC)OC)C1 ZINC001393114067 912404125 /nfs/dbraw/zinc/40/41/25/912404125.db2.gz LLEYGIOQEPLFIY-YPMHNXCESA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](COC)OC)C1 ZINC001393114067 912404144 /nfs/dbraw/zinc/40/41/44/912404144.db2.gz LLEYGIOQEPLFIY-YPMHNXCESA-N 1 2 290.791 0.981 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001323548490 912408451 /nfs/dbraw/zinc/40/84/51/912408451.db2.gz PHELFOFRIFCNHD-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCC(N)=O ZINC001394141745 913040441 /nfs/dbraw/zinc/04/04/41/913040441.db2.gz HNAFMYAYIWQMMN-SNVBAGLBSA-N 1 2 275.780 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCC(N)=O ZINC001394141745 913040460 /nfs/dbraw/zinc/04/04/60/913040460.db2.gz HNAFMYAYIWQMMN-SNVBAGLBSA-N 1 2 275.780 0.831 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001325280739 913315725 /nfs/dbraw/zinc/31/57/25/913315725.db2.gz DIACCWLCRPAFGD-VXGBXAGGSA-N 1 2 250.342 0.219 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001325814781 913582033 /nfs/dbraw/zinc/58/20/33/913582033.db2.gz WZNQAETVEZLLCV-SNVBAGLBSA-N 1 2 270.358 0.131 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001480903310 891726103 /nfs/dbraw/zinc/72/61/03/891726103.db2.gz QROODYAXKNRKFU-ITGUQSILSA-N 1 2 279.384 0.383 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001480903310 891726116 /nfs/dbraw/zinc/72/61/16/891726116.db2.gz QROODYAXKNRKFU-ITGUQSILSA-N 1 2 279.384 0.383 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CC1CC(C)(C)C1 ZINC001480905238 891733473 /nfs/dbraw/zinc/73/34/73/891733473.db2.gz TYTUCGLNPMNHPC-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CC1CC(C)(C)C1 ZINC001480905238 891733479 /nfs/dbraw/zinc/73/34/79/891733479.db2.gz TYTUCGLNPMNHPC-UHFFFAOYSA-N 1 2 293.411 0.610 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001481044635 892113808 /nfs/dbraw/zinc/11/38/08/892113808.db2.gz BWFVYDBREMNDLP-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001481044635 892113816 /nfs/dbraw/zinc/11/38/16/892113816.db2.gz BWFVYDBREMNDLP-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(CC)CC)C1 ZINC001481613681 892904349 /nfs/dbraw/zinc/90/43/49/892904349.db2.gz VZLHNDDIXAGAKQ-LBPRGKRZSA-N 1 2 293.411 0.609 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(CC#N)C1 ZINC001481780941 893149942 /nfs/dbraw/zinc/14/99/42/893149942.db2.gz QMAPMHFTBBMWEF-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001482204378 893538515 /nfs/dbraw/zinc/53/85/15/893538515.db2.gz CICIRYRZMOUNAG-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001482204378 893538534 /nfs/dbraw/zinc/53/85/34/893538534.db2.gz CICIRYRZMOUNAG-HNNXBMFYSA-N 1 2 289.379 0.936 20 30 CCEDLO C[C@H](CC(=O)N(C)[C@@H](C)CNCC#N)n1cc[nH+]c1 ZINC001482336269 893884879 /nfs/dbraw/zinc/88/48/79/893884879.db2.gz BKQBFYFFTPRYHE-NEPJUHHUSA-N 1 2 263.345 0.794 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1nocc1C ZINC001483008145 894799249 /nfs/dbraw/zinc/79/92/49/894799249.db2.gz SWQYASSEEXWZJG-GFUIURDCSA-N 1 2 291.351 0.783 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001483115352 894934402 /nfs/dbraw/zinc/93/44/02/894934402.db2.gz FGOXQLCHCBUKJV-HTQZYQBOSA-N 1 2 251.290 0.132 20 30 CCEDLO CCn1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001483319715 895449552 /nfs/dbraw/zinc/44/95/52/895449552.db2.gz MSGCGOJCBOJRFJ-RYUDHWBXSA-N 1 2 277.372 0.999 20 30 CCEDLO CCn1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001483319715 895449556 /nfs/dbraw/zinc/44/95/56/895449556.db2.gz MSGCGOJCBOJRFJ-RYUDHWBXSA-N 1 2 277.372 0.999 20 30 CCEDLO CCn1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001483319713 895449688 /nfs/dbraw/zinc/44/96/88/895449688.db2.gz MSGCGOJCBOJRFJ-NEPJUHHUSA-N 1 2 277.372 0.999 20 30 CCEDLO CCn1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001483319713 895449692 /nfs/dbraw/zinc/44/96/92/895449692.db2.gz MSGCGOJCBOJRFJ-NEPJUHHUSA-N 1 2 277.372 0.999 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001483646558 895792239 /nfs/dbraw/zinc/79/22/39/895792239.db2.gz BZVZJTHNWZELKW-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001483646558 895792257 /nfs/dbraw/zinc/79/22/57/895792257.db2.gz BZVZJTHNWZELKW-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001483668750 895825234 /nfs/dbraw/zinc/82/52/34/895825234.db2.gz ZJAVNXOPPRCLJK-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001483668750 895825255 /nfs/dbraw/zinc/82/52/55/895825255.db2.gz ZJAVNXOPPRCLJK-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCCc1cn[nH]n1 ZINC001483668750 895825274 /nfs/dbraw/zinc/82/52/74/895825274.db2.gz ZJAVNXOPPRCLJK-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)CCCCc1cn[nH]n1 ZINC001483668750 895825292 /nfs/dbraw/zinc/82/52/92/895825292.db2.gz ZJAVNXOPPRCLJK-AWEZNQCLSA-N 1 2 289.383 0.731 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CCOC)C1 ZINC001483849760 896067452 /nfs/dbraw/zinc/06/74/52/896067452.db2.gz DPGLOJSORBMHEE-UHFFFAOYSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC001483859251 896084532 /nfs/dbraw/zinc/08/45/32/896084532.db2.gz UJGRXSYJCYWESA-UHFFFAOYSA-N 1 2 277.368 0.984 20 30 CCEDLO COC[C@H](C)[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001483863011 896088881 /nfs/dbraw/zinc/08/88/81/896088881.db2.gz JCOOHAHXMPTHDJ-NSHDSACASA-N 1 2 250.342 0.577 20 30 CCEDLO CN(C(=O)CCc1c[nH+]cn1C)C1CN(CC#N)C1 ZINC001483890033 896105604 /nfs/dbraw/zinc/10/56/04/896105604.db2.gz DGCFLHIJGVKWAX-UHFFFAOYSA-N 1 2 261.329 0.019 20 30 CCEDLO C#CCN1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001483890425 896108808 /nfs/dbraw/zinc/10/88/08/896108808.db2.gz QYZNJRYDRPHTHQ-UHFFFAOYSA-N 1 2 260.341 0.129 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001484065940 896179332 /nfs/dbraw/zinc/17/93/32/896179332.db2.gz QKHURCQRBYYAQG-CQSZACIVSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001484065940 896179339 /nfs/dbraw/zinc/17/93/39/896179339.db2.gz QKHURCQRBYYAQG-CQSZACIVSA-N 1 2 293.392 0.987 20 30 CCEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 ZINC001484208630 896244037 /nfs/dbraw/zinc/24/40/37/896244037.db2.gz OTIVTARSIQOYJF-IINYFYTJSA-N 1 2 292.339 0.196 20 30 CCEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 ZINC001484208630 896244056 /nfs/dbraw/zinc/24/40/56/896244056.db2.gz OTIVTARSIQOYJF-IINYFYTJSA-N 1 2 292.339 0.196 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001484297984 896324744 /nfs/dbraw/zinc/32/47/44/896324744.db2.gz RDJIKAZFOFWFGD-UHFFFAOYSA-N 1 2 277.368 0.984 20 30 CCEDLO C=CCn1cc(CNC(=O)CCc2c[nH+]cn2C)nn1 ZINC001326635949 914066907 /nfs/dbraw/zinc/06/69/07/914066907.db2.gz DDALKWUFEJHBRC-UHFFFAOYSA-N 1 2 274.328 0.447 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1cnn[nH]1 ZINC001485194319 896855686 /nfs/dbraw/zinc/85/56/86/896855686.db2.gz OLYXLIONUBSPHR-UWVGGRQHSA-N 1 2 285.779 0.973 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)n2cccn2)C1 ZINC001485398453 897023758 /nfs/dbraw/zinc/02/37/58/897023758.db2.gz WCSDQXVUJVMBFH-ZDUSSCGKSA-N 1 2 290.367 0.020 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001485494480 897083418 /nfs/dbraw/zinc/08/34/18/897083418.db2.gz FHMYSCZHNBURDK-LBPRGKRZSA-N 1 2 291.395 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001485552312 897115582 /nfs/dbraw/zinc/11/55/82/897115582.db2.gz AFUGZKMCAKMYNM-WFASDCNBSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001485552312 897115586 /nfs/dbraw/zinc/11/55/86/897115586.db2.gz AFUGZKMCAKMYNM-WFASDCNBSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccnc2N)C1 ZINC001107827177 897323718 /nfs/dbraw/zinc/32/37/18/897323718.db2.gz KAZPGXUFTMAUAK-AWEZNQCLSA-N 1 2 291.355 0.066 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccnc2N)C1 ZINC001107827177 897323728 /nfs/dbraw/zinc/32/37/28/897323728.db2.gz KAZPGXUFTMAUAK-AWEZNQCLSA-N 1 2 291.355 0.066 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC)c2)C1 ZINC001107825242 897326742 /nfs/dbraw/zinc/32/67/42/897326742.db2.gz RWEIJLMIKBHXHI-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC)c2)C1 ZINC001107825242 897326749 /nfs/dbraw/zinc/32/67/49/897326749.db2.gz RWEIJLMIKBHXHI-HNNXBMFYSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107834132 897329642 /nfs/dbraw/zinc/32/96/42/897329642.db2.gz VYIQDWIPAFDGLQ-HIFRSBDPSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001107834132 897329656 /nfs/dbraw/zinc/32/96/56/897329656.db2.gz VYIQDWIPAFDGLQ-HIFRSBDPSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001107863965 897386909 /nfs/dbraw/zinc/38/69/09/897386909.db2.gz LLTDQGOJMPAYKG-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001107863965 897386922 /nfs/dbraw/zinc/38/69/22/897386922.db2.gz LLTDQGOJMPAYKG-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001107881914 897421091 /nfs/dbraw/zinc/42/10/91/897421091.db2.gz NLQBTJBUKQNZIV-TZMCWYRMSA-N 1 2 293.371 0.232 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001107881914 897421105 /nfs/dbraw/zinc/42/11/05/897421105.db2.gz NLQBTJBUKQNZIV-TZMCWYRMSA-N 1 2 293.371 0.232 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001077763345 897435724 /nfs/dbraw/zinc/43/57/24/897435724.db2.gz SNBJOWWQLKXMQZ-ZIAGYGMSSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001077763345 897435737 /nfs/dbraw/zinc/43/57/37/897435737.db2.gz SNBJOWWQLKXMQZ-ZIAGYGMSSA-N 1 2 290.367 0.091 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CO[C@@H]1CCOC1 ZINC001032401736 897451585 /nfs/dbraw/zinc/45/15/85/897451585.db2.gz YXHYATYYMVSJGD-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CO[C@@H]1CCOC1 ZINC001032401736 897451590 /nfs/dbraw/zinc/45/15/90/897451590.db2.gz YXHYATYYMVSJGD-MELADBBJSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(=O)[nH]c1C ZINC001032463401 897596727 /nfs/dbraw/zinc/59/67/27/897596727.db2.gz REBLVGAAKQOADH-QWRGUYRKSA-N 1 2 274.324 0.346 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(=O)[nH]c1C ZINC001032463401 897596740 /nfs/dbraw/zinc/59/67/40/897596740.db2.gz REBLVGAAKQOADH-QWRGUYRKSA-N 1 2 274.324 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc(C)no1 ZINC001032551828 897738671 /nfs/dbraw/zinc/73/86/71/897738671.db2.gz IFJOWNQXVCUOJH-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc(C)no1 ZINC001032551828 897738678 /nfs/dbraw/zinc/73/86/78/897738678.db2.gz IFJOWNQXVCUOJH-RYUDHWBXSA-N 1 2 274.324 0.229 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CCOC1 ZINC001032588305 897785282 /nfs/dbraw/zinc/78/52/82/897785282.db2.gz OLRDLLJGNBPWEX-OBJOEFQTSA-N 1 2 266.316 0.423 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CCOC1 ZINC001032588305 897785290 /nfs/dbraw/zinc/78/52/90/897785290.db2.gz OLRDLLJGNBPWEX-OBJOEFQTSA-N 1 2 266.316 0.423 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cscn1 ZINC001032667100 897913906 /nfs/dbraw/zinc/91/39/06/897913906.db2.gz SODOCLZWRYYEIW-RYUDHWBXSA-N 1 2 261.350 0.604 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cscn1 ZINC001032667100 897913915 /nfs/dbraw/zinc/91/39/15/897913915.db2.gz SODOCLZWRYYEIW-RYUDHWBXSA-N 1 2 261.350 0.604 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001107994576 898010934 /nfs/dbraw/zinc/01/09/34/898010934.db2.gz QKTZHNNAHQJMQD-HNNXBMFYSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001107994576 898010945 /nfs/dbraw/zinc/01/09/45/898010945.db2.gz QKTZHNNAHQJMQD-HNNXBMFYSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001077923019 898050557 /nfs/dbraw/zinc/05/05/57/898050557.db2.gz UMNWWUWRCVOVHB-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001077923019 898050564 /nfs/dbraw/zinc/05/05/64/898050564.db2.gz UMNWWUWRCVOVHB-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccnc2C1 ZINC001032754646 898097954 /nfs/dbraw/zinc/09/79/54/898097954.db2.gz KYZNYZJGJZNGRX-KKUMJFAQSA-N 1 2 281.359 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccnc2C1 ZINC001032754646 898097959 /nfs/dbraw/zinc/09/79/59/898097959.db2.gz KYZNYZJGJZNGRX-KKUMJFAQSA-N 1 2 281.359 0.715 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108013200 898111983 /nfs/dbraw/zinc/11/19/83/898111983.db2.gz QLFZVEOMJZJYCD-SSDMNJCBSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(OC)C2)C1 ZINC001108013200 898111985 /nfs/dbraw/zinc/11/19/85/898111985.db2.gz QLFZVEOMJZJYCD-SSDMNJCBSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)[nH]c1 ZINC001032762478 898134928 /nfs/dbraw/zinc/13/49/28/898134928.db2.gz AFNWARKFZDWUSF-RYUDHWBXSA-N 1 2 257.293 0.319 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)[nH]c1 ZINC001032762478 898134937 /nfs/dbraw/zinc/13/49/37/898134937.db2.gz AFNWARKFZDWUSF-RYUDHWBXSA-N 1 2 257.293 0.319 20 30 CCEDLO N#CCS(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715681836 898167828 /nfs/dbraw/zinc/16/78/28/898167828.db2.gz PSILFHIEOOGTMJ-CYBMUJFWSA-N 1 2 279.365 0.704 20 30 CCEDLO N#CCS(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000715681836 898167834 /nfs/dbraw/zinc/16/78/34/898167834.db2.gz PSILFHIEOOGTMJ-CYBMUJFWSA-N 1 2 279.365 0.704 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001272918140 898168095 /nfs/dbraw/zinc/16/80/95/898168095.db2.gz DVHUFUQPAIHIEQ-GFCCVEGCSA-N 1 2 272.352 0.761 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001078125645 898245301 /nfs/dbraw/zinc/24/53/01/898245301.db2.gz UIZXZWMHRAFWCS-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001078125645 898245318 /nfs/dbraw/zinc/24/53/18/898245318.db2.gz UIZXZWMHRAFWCS-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078125346 898246337 /nfs/dbraw/zinc/24/63/37/898246337.db2.gz CSTNKXXHMSGQPI-CHWSQXEVSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078125346 898246351 /nfs/dbraw/zinc/24/63/51/898246351.db2.gz CSTNKXXHMSGQPI-CHWSQXEVSA-N 1 2 284.315 0.841 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001078196673 898291030 /nfs/dbraw/zinc/29/10/30/898291030.db2.gz MLFNHUKSBZUIMM-ZIAGYGMSSA-N 1 2 290.338 0.851 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001078196673 898291041 /nfs/dbraw/zinc/29/10/41/898291041.db2.gz MLFNHUKSBZUIMM-ZIAGYGMSSA-N 1 2 290.338 0.851 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC#N)c1cccnc1 ZINC001032804707 898384648 /nfs/dbraw/zinc/38/46/48/898384648.db2.gz QSXYOAGXHANQLB-SOUVJXGZSA-N 1 2 299.378 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C(N)=O)cc1 ZINC001032809135 898404322 /nfs/dbraw/zinc/40/43/22/898404322.db2.gz BSJYYMRXOYYADX-GJZGRUSLSA-N 1 2 297.358 0.246 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C(N)=O)cc1 ZINC001032809135 898404330 /nfs/dbraw/zinc/40/43/30/898404330.db2.gz BSJYYMRXOYYADX-GJZGRUSLSA-N 1 2 297.358 0.246 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1ncc(C)o1 ZINC001485990645 898579421 /nfs/dbraw/zinc/57/94/21/898579421.db2.gz JWHXYKQKKOMKHX-QWHCGFSZSA-N 1 2 293.367 0.914 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(=O)NCC#N)C(=O)C1CCC1 ZINC001486360425 898814445 /nfs/dbraw/zinc/81/44/45/898814445.db2.gz ILEUECJIQYYRAP-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C1CCC1 ZINC001486360425 898814463 /nfs/dbraw/zinc/81/44/63/898814463.db2.gz ILEUECJIQYYRAP-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N ZINC001410605376 899491882 /nfs/dbraw/zinc/49/18/82/899491882.db2.gz JADAWUXRBOHZDP-ONGXEEELSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494840163 899842473 /nfs/dbraw/zinc/84/24/73/899842473.db2.gz SIGGMCZQSCCKQN-IUODEOHRSA-N 1 2 297.399 0.233 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494840163 899842475 /nfs/dbraw/zinc/84/24/75/899842475.db2.gz SIGGMCZQSCCKQN-IUODEOHRSA-N 1 2 297.399 0.233 20 30 CCEDLO CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001490304031 900595646 /nfs/dbraw/zinc/59/56/46/900595646.db2.gz SVZGCEHLTUGQEF-OLZOCXBDSA-N 1 2 289.383 0.730 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001490516755 900658003 /nfs/dbraw/zinc/65/80/03/900658003.db2.gz BRZLAQJGPJDJSK-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001490516755 900658012 /nfs/dbraw/zinc/65/80/12/900658012.db2.gz BRZLAQJGPJDJSK-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C=C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC)c1ccccc1 ZINC001492870445 914598300 /nfs/dbraw/zinc/59/83/00/914598300.db2.gz DSVZHNNDPLHHAX-CQSZACIVSA-N 1 2 289.379 0.750 20 30 CCEDLO C=C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC)c1ccccc1 ZINC001492870445 914598309 /nfs/dbraw/zinc/59/83/09/914598309.db2.gz DSVZHNNDPLHHAX-CQSZACIVSA-N 1 2 289.379 0.750 20 30 CCEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC(C)(C)CC#N ZINC001413221335 902794172 /nfs/dbraw/zinc/79/41/72/902794172.db2.gz HHOQLUKASFJOAM-UHFFFAOYSA-N 1 2 299.400 0.567 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NCC#N ZINC001070712955 903168500 /nfs/dbraw/zinc/16/85/00/903168500.db2.gz XXLYVBHARRFWGJ-VXGBXAGGSA-N 1 2 289.383 0.874 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)o1 ZINC001491453278 903599073 /nfs/dbraw/zinc/59/90/73/903599073.db2.gz WZCXLTPYBHQFMK-SECBINFHSA-N 1 2 262.313 0.386 20 30 CCEDLO Cn1cc([C@H](CO)[NH2+]Cc2cccc(C#N)n2)cn1 ZINC001330619324 903898386 /nfs/dbraw/zinc/89/83/86/903898386.db2.gz NAVRSHMJACQJQT-ZDUSSCGKSA-N 1 2 257.297 0.510 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CF)C1 ZINC001330922872 903937706 /nfs/dbraw/zinc/93/77/06/903937706.db2.gz BPBQMFCHBARNGP-QWRGUYRKSA-N 1 2 272.320 0.641 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280961540 904017197 /nfs/dbraw/zinc/01/71/97/904017197.db2.gz GULCWOWBZFCBCM-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2(COC)CCC2)C1 ZINC001282527368 904500561 /nfs/dbraw/zinc/50/05/61/904500561.db2.gz MQOMYEMSTFNXAU-UHFFFAOYSA-N 1 2 294.395 0.379 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283205483 904754804 /nfs/dbraw/zinc/75/48/04/904754804.db2.gz XPFDXXVSRFHJAU-CHWSQXEVSA-N 1 2 289.383 0.844 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001283759195 904999306 /nfs/dbraw/zinc/99/93/06/904999306.db2.gz FUGWTHJQCMQVEX-LBPRGKRZSA-N 1 2 267.329 0.598 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001283848666 905059000 /nfs/dbraw/zinc/05/90/00/905059000.db2.gz QSLXNTWVJALXRR-LBPRGKRZSA-N 1 2 276.340 0.566 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001378082628 905411352 /nfs/dbraw/zinc/41/13/52/905411352.db2.gz KABQWYNKWFHFBL-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001378082628 905411357 /nfs/dbraw/zinc/41/13/57/905411357.db2.gz KABQWYNKWFHFBL-LBPRGKRZSA-N 1 2 299.802 0.942 20 30 CCEDLO C#CCCCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284896923 905473261 /nfs/dbraw/zinc/47/32/61/905473261.db2.gz QWAOWVYATPZUOS-UHFFFAOYSA-N 1 2 274.324 0.083 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC001285039423 905530428 /nfs/dbraw/zinc/53/04/28/905530428.db2.gz PDZVVKSEOXBSMS-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO C#CCCCC(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001285535578 905669691 /nfs/dbraw/zinc/66/96/91/905669691.db2.gz ZYFMNGKTIHARRA-WAYWQWQTSA-N 1 2 288.351 0.475 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001337061597 921172765 /nfs/dbraw/zinc/17/27/65/921172765.db2.gz KTPYVJKVFFPKSX-LBPRGKRZSA-N 1 2 292.383 0.892 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C#CC(C)(C)C ZINC001285728444 905743428 /nfs/dbraw/zinc/74/34/28/905743428.db2.gz ORZBBPHOVGTISJ-NSHDSACASA-N 1 2 290.367 0.623 20 30 CCEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]OCC(N)=O ZINC001337117457 921189457 /nfs/dbraw/zinc/18/94/57/921189457.db2.gz CSMPAPJWKXUKRI-UHFFFAOYSA-N 1 2 284.341 0.124 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379085768 905982142 /nfs/dbraw/zinc/98/21/42/905982142.db2.gz SPZVZSLFTKBOQO-SNVBAGLBSA-N 1 2 288.779 0.153 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379085768 905982157 /nfs/dbraw/zinc/98/21/57/905982157.db2.gz SPZVZSLFTKBOQO-SNVBAGLBSA-N 1 2 288.779 0.153 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC001379377651 906201512 /nfs/dbraw/zinc/20/15/12/906201512.db2.gz ZNQDOOCFSWRMEL-KOLCDFICSA-N 1 2 292.339 0.278 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292935400 906370134 /nfs/dbraw/zinc/37/01/34/906370134.db2.gz GYPCSSVKAKIUPE-GFCCVEGCSA-N 1 2 278.356 0.718 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001294783867 906634596 /nfs/dbraw/zinc/63/45/96/906634596.db2.gz MSVGMCFCAYQETR-LBPRGKRZSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001380551408 906819738 /nfs/dbraw/zinc/81/97/38/906819738.db2.gz KUCGMGKIZNFBQC-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001380551408 906819744 /nfs/dbraw/zinc/81/97/44/906819744.db2.gz KUCGMGKIZNFBQC-ZDUSSCGKSA-N 1 2 296.758 0.396 20 30 CCEDLO C=CC(C)(C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001297063121 907014461 /nfs/dbraw/zinc/01/44/61/907014461.db2.gz ZOKOYZORCPQEOD-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO N#C[C@@H](CO)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001297880163 907123375 /nfs/dbraw/zinc/12/33/75/907123375.db2.gz JSHDVZBLQIDYTD-AWEZNQCLSA-N 1 2 299.334 0.609 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1O ZINC001298232651 907190875 /nfs/dbraw/zinc/19/08/75/907190875.db2.gz STNCFIRJQVFDAY-LLVKDONJSA-N 1 2 268.276 0.815 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2nnccc2C#N)[C@@H](C)CO1 ZINC001337924667 921303226 /nfs/dbraw/zinc/30/32/26/921303226.db2.gz DIRXOEKZOOLQSS-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2nnccc2C#N)[C@@H](C)CO1 ZINC001337924667 921303227 /nfs/dbraw/zinc/30/32/27/921303227.db2.gz DIRXOEKZOOLQSS-WDEREUQCSA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001382056133 907517289 /nfs/dbraw/zinc/51/72/89/907517289.db2.gz JFNZROLQADGWEE-NXEZZACHSA-N 1 2 294.359 0.232 20 30 CCEDLO C=CCN1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001495870983 907558681 /nfs/dbraw/zinc/55/86/81/907558681.db2.gz QKMZEMZZGOGXAS-KGLIPLIRSA-N 1 2 292.383 0.837 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1oc(C)cc1C ZINC001492224197 907778157 /nfs/dbraw/zinc/77/81/57/907778157.db2.gz XKLDAJSHRVHGQR-UHFFFAOYSA-N 1 2 291.351 0.307 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1oc(C)cc1C ZINC001492224197 907778171 /nfs/dbraw/zinc/77/81/71/907778171.db2.gz XKLDAJSHRVHGQR-UHFFFAOYSA-N 1 2 291.351 0.307 20 30 CCEDLO CCCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001492228072 907782342 /nfs/dbraw/zinc/78/23/42/907782342.db2.gz DOXZZVYXGZBLNK-UHFFFAOYSA-N 1 2 291.355 0.074 20 30 CCEDLO CCCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001492228072 907782347 /nfs/dbraw/zinc/78/23/47/907782347.db2.gz DOXZZVYXGZBLNK-UHFFFAOYSA-N 1 2 291.355 0.074 20 30 CCEDLO COc1cc(C[N@H+](C)CCNC(=O)C#CC2CC2)on1 ZINC001492248043 907800170 /nfs/dbraw/zinc/80/01/70/907800170.db2.gz RRRBBCSESUXJIH-UHFFFAOYSA-N 1 2 277.324 0.645 20 30 CCEDLO COc1cc(C[N@@H+](C)CCNC(=O)C#CC2CC2)on1 ZINC001492248043 907800184 /nfs/dbraw/zinc/80/01/84/907800184.db2.gz RRRBBCSESUXJIH-UHFFFAOYSA-N 1 2 277.324 0.645 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001492428383 907918447 /nfs/dbraw/zinc/91/84/47/907918447.db2.gz MADVPVYQNPERKW-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001492428383 907918466 /nfs/dbraw/zinc/91/84/66/907918466.db2.gz MADVPVYQNPERKW-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C ZINC001317467804 908271687 /nfs/dbraw/zinc/27/16/87/908271687.db2.gz KMJPMDGRATXLMH-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C ZINC001317467804 908271700 /nfs/dbraw/zinc/27/17/00/908271700.db2.gz KMJPMDGRATXLMH-UHFFFAOYSA-N 1 2 255.362 0.383 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001308133936 908386927 /nfs/dbraw/zinc/38/69/27/908386927.db2.gz FGCNVUBKPUSFSU-GBIKHYSHSA-N 1 2 293.375 0.304 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001386418868 908727770 /nfs/dbraw/zinc/72/77/70/908727770.db2.gz QQKGKSHXCIBDNC-IUCAKERBSA-N 1 2 277.328 0.041 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001386564667 908780131 /nfs/dbraw/zinc/78/01/31/908780131.db2.gz OJVVYVGFEXLPHF-NEPJUHHUSA-N 1 2 289.339 0.007 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001386564677 908782087 /nfs/dbraw/zinc/78/20/87/908782087.db2.gz OJVVYVGFEXLPHF-RYUDHWBXSA-N 1 2 289.339 0.007 20 30 CCEDLO Cn1ncc(C[N@H+](C)CCCNC(=O)C#CC(C)(C)C)n1 ZINC001316823127 908793204 /nfs/dbraw/zinc/79/32/04/908793204.db2.gz CUXWFMBFJNNVMO-UHFFFAOYSA-N 1 2 291.399 0.803 20 30 CCEDLO Cn1ncc(C[N@@H+](C)CCCNC(=O)C#CC(C)(C)C)n1 ZINC001316823127 908793215 /nfs/dbraw/zinc/79/32/15/908793215.db2.gz CUXWFMBFJNNVMO-UHFFFAOYSA-N 1 2 291.399 0.803 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)CC)CC1 ZINC001316963123 908872984 /nfs/dbraw/zinc/87/29/84/908872984.db2.gz QRTKHLYUZYNJOF-CYBMUJFWSA-N 1 2 251.374 0.400 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCc1[nH+]ccn1C ZINC001387045728 909009140 /nfs/dbraw/zinc/00/91/40/909009140.db2.gz VRZOJIRZVHOEPF-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO N#CCNC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317332192 909145037 /nfs/dbraw/zinc/14/50/37/909145037.db2.gz UTVVVCOLQHWQHY-GFCCVEGCSA-N 1 2 261.329 0.235 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001338490152 921482728 /nfs/dbraw/zinc/48/27/28/921482728.db2.gz OWYGPABDCCKOMS-GFCCVEGCSA-N 1 2 277.372 0.666 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001338490152 921482737 /nfs/dbraw/zinc/48/27/37/921482737.db2.gz OWYGPABDCCKOMS-GFCCVEGCSA-N 1 2 277.372 0.666 20 30 CCEDLO C[C@@H](CC(=O)NCCN(CC#N)C1CC1)n1cc[nH+]c1 ZINC001317558182 909329095 /nfs/dbraw/zinc/32/90/95/909329095.db2.gz HEISAPOINYBZSG-LBPRGKRZSA-N 1 2 275.356 0.938 20 30 CCEDLO Cc1nnc(C[NH2+]CCN(C)C(=O)c2ccc(C#N)[nH]2)o1 ZINC001317577834 909374754 /nfs/dbraw/zinc/37/47/54/909374754.db2.gz XLFCIMTYCNALEP-UHFFFAOYSA-N 1 2 288.311 0.440 20 30 CCEDLO CC1CC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001317926529 909546185 /nfs/dbraw/zinc/54/61/85/909546185.db2.gz MJWPTJWZVNXHFE-WXRRBKDZSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1CC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001317926529 909546192 /nfs/dbraw/zinc/54/61/92/909546192.db2.gz MJWPTJWZVNXHFE-WXRRBKDZSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001318162117 909647950 /nfs/dbraw/zinc/64/79/50/909647950.db2.gz XYCCZPAKNNXTPZ-NSHDSACASA-N 1 2 260.341 0.270 20 30 CCEDLO C[C@@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001320058866 910439221 /nfs/dbraw/zinc/43/92/21/910439221.db2.gz MWARLKHYTRAWAW-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H]1CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001320058866 910439234 /nfs/dbraw/zinc/43/92/34/910439234.db2.gz MWARLKHYTRAWAW-CHWSQXEVSA-N 1 2 294.399 0.453 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001320774149 910861137 /nfs/dbraw/zinc/86/11/37/910861137.db2.gz XPKOWPOYHMKOQR-VWYCJHECSA-N 1 2 267.329 0.202 20 30 CCEDLO C=CC[C@@H]1NC(=O)N([C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001320774149 910861148 /nfs/dbraw/zinc/86/11/48/910861148.db2.gz XPKOWPOYHMKOQR-VWYCJHECSA-N 1 2 267.329 0.202 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cn(C)nn1 ZINC001391125043 910896357 /nfs/dbraw/zinc/89/63/57/910896357.db2.gz YJKCDZJCOXTAOT-LLVKDONJSA-N 1 2 278.360 0.303 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cn(C)nn1 ZINC001391125043 910896371 /nfs/dbraw/zinc/89/63/71/910896371.db2.gz YJKCDZJCOXTAOT-LLVKDONJSA-N 1 2 278.360 0.303 20 30 CCEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)Cc1n[nH]c(C)n1 ZINC001321053801 911049007 /nfs/dbraw/zinc/04/90/07/911049007.db2.gz ZZGUOEGYHHEUJX-ONEGZZNKSA-N 1 2 283.763 0.670 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC001321966463 911598910 /nfs/dbraw/zinc/59/89/10/911598910.db2.gz GSYRGGNAXUIEBK-UHFFFAOYSA-N 1 2 290.367 0.957 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC001322300860 911750110 /nfs/dbraw/zinc/75/01/10/911750110.db2.gz PSTBFVUHNXGBJF-OLZOCXBDSA-N 1 2 275.356 0.796 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001417906438 921693872 /nfs/dbraw/zinc/69/38/72/921693872.db2.gz XFYAGGKQTJUEGD-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001417906438 921693881 /nfs/dbraw/zinc/69/38/81/921693881.db2.gz XFYAGGKQTJUEGD-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO COCCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001392466707 911835875 /nfs/dbraw/zinc/83/58/75/911835875.db2.gz OHGRIXVGRBIEDB-NXEZZACHSA-N 1 2 295.343 0.012 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nncn1C ZINC001322620680 911885420 /nfs/dbraw/zinc/88/54/20/911885420.db2.gz BFZRQDMSSYVNIU-VIFPVBQESA-N 1 2 262.317 0.028 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001323071438 912103942 /nfs/dbraw/zinc/10/39/42/912103942.db2.gz YTTGNOYXXCXXGL-UHFFFAOYSA-N 1 2 271.342 0.059 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001323194689 912170536 /nfs/dbraw/zinc/17/05/36/912170536.db2.gz RCPAMDSJKIGIIH-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001323194689 912170546 /nfs/dbraw/zinc/17/05/46/912170546.db2.gz RCPAMDSJKIGIIH-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO C=CC[NH+](CC=C)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001328894754 915501989 /nfs/dbraw/zinc/50/19/89/915501989.db2.gz DRTOEVSUXIALRT-UHFFFAOYSA-N 1 2 260.301 0.174 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001400536880 915799540 /nfs/dbraw/zinc/79/95/40/915799540.db2.gz WUCSWOZULSLUFI-ZDUSSCGKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=CC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(=O)OCC ZINC001329408817 915888584 /nfs/dbraw/zinc/88/85/84/915888584.db2.gz CTNRMFIDZGDPGU-SCXUMTSISA-N 1 2 296.367 0.499 20 30 CCEDLO C=CC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OCC ZINC001329408819 915890891 /nfs/dbraw/zinc/89/08/91/915890891.db2.gz CTNRMFIDZGDPGU-VUDGCMKMSA-N 1 2 296.367 0.499 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001329637537 916086633 /nfs/dbraw/zinc/08/66/33/916086633.db2.gz FPGOLPTZXXQMMW-VXGBXAGGSA-N 1 2 252.358 0.772 20 30 CCEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001329680987 916123103 /nfs/dbraw/zinc/12/31/03/916123103.db2.gz JDXICYRWFABBGC-NSHDSACASA-N 1 2 270.373 0.132 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C#N)CCCOC2)c1 ZINC001329961070 916313758 /nfs/dbraw/zinc/31/37/58/916313758.db2.gz VCXAZWDFRROXEU-CYBMUJFWSA-N 1 2 262.313 0.399 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001330327051 916555800 /nfs/dbraw/zinc/55/58/00/916555800.db2.gz JNLJSZMZKFIHRZ-LBPRGKRZSA-N 1 2 276.340 0.424 20 30 CCEDLO N#C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC001330582235 916716925 /nfs/dbraw/zinc/71/69/25/916716925.db2.gz PIYDJVAYVQGJCK-ZWNOBZJWSA-N 1 2 260.297 0.244 20 30 CCEDLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001402500322 917059149 /nfs/dbraw/zinc/05/91/49/917059149.db2.gz SEARZCABZUSKNL-GUBZILKMSA-N 1 2 277.328 0.528 20 30 CCEDLO N#C[C@@H](CO)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001332368704 918097223 /nfs/dbraw/zinc/09/72/23/918097223.db2.gz ZXIYLPZSEDFHCO-YUMQZZPRSA-N 1 2 276.218 0.377 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001404264011 918267800 /nfs/dbraw/zinc/26/78/00/918267800.db2.gz YEDLDEKUNOTJAX-NWDGAFQWSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001404264011 918267814 /nfs/dbraw/zinc/26/78/14/918267814.db2.gz YEDLDEKUNOTJAX-NWDGAFQWSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C[C@H](COC)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001332961185 918564327 /nfs/dbraw/zinc/56/43/27/918564327.db2.gz GYMIWWQMMVRITK-YPMHNXCESA-N 1 2 266.345 0.748 20 30 CCEDLO COCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001405802037 918918134 /nfs/dbraw/zinc/91/81/34/918918134.db2.gz XTXYEXRYOUAJCR-ZJUUUORDSA-N 1 2 295.343 0.312 20 30 CCEDLO CC[N@@H+](CC#CCOC)CCNC(=O)C(F)C(F)(F)F ZINC001492957687 919572912 /nfs/dbraw/zinc/57/29/12/919572912.db2.gz ZCKPEQWYXFCTAK-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@H+](CC#CCOC)CCNC(=O)C(F)C(F)(F)F ZINC001492957687 919572922 /nfs/dbraw/zinc/57/29/22/919572922.db2.gz ZCKPEQWYXFCTAK-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@@H+](CC#CCOC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001492957687 919572936 /nfs/dbraw/zinc/57/29/36/919572936.db2.gz ZCKPEQWYXFCTAK-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO CC[N@H+](CC#CCOC)CCNC(=O)[C@H](F)C(F)(F)F ZINC001492957687 919572950 /nfs/dbraw/zinc/57/29/50/919572950.db2.gz ZCKPEQWYXFCTAK-JTQLQIEISA-N 1 2 298.280 0.975 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)C#CC1CC1 ZINC001334489896 919620955 /nfs/dbraw/zinc/62/09/55/919620955.db2.gz VRIYQWKDWJUELB-LLVKDONJSA-N 1 2 288.351 0.329 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)Nc2c(C)nn(C)c2C)CC1 ZINC001335027078 919909447 /nfs/dbraw/zinc/90/94/47/919909447.db2.gz PPPXKJZNQMNKTB-UHFFFAOYSA-N 1 2 290.367 0.436 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001336776447 920997446 /nfs/dbraw/zinc/99/74/46/920997446.db2.gz USHWDVXUERNPNM-UHFFFAOYSA-N 1 2 277.324 0.337 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001336776447 920997455 /nfs/dbraw/zinc/99/74/55/920997455.db2.gz USHWDVXUERNPNM-UHFFFAOYSA-N 1 2 277.324 0.337 20 30 CCEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001418178128 921876684 /nfs/dbraw/zinc/87/66/84/921876684.db2.gz NBUMLTJMJNTBFI-HINXJTCJSA-N 1 2 289.339 0.645 20 30 CCEDLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001418178128 921876711 /nfs/dbraw/zinc/87/67/11/921876711.db2.gz NBUMLTJMJNTBFI-HINXJTCJSA-N 1 2 289.339 0.645 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418568772 922264824 /nfs/dbraw/zinc/26/48/24/922264824.db2.gz ZBSGDJXJVADJCY-ZDUSSCGKSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418568772 922264840 /nfs/dbraw/zinc/26/48/40/922264840.db2.gz ZBSGDJXJVADJCY-ZDUSSCGKSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419089296 922632042 /nfs/dbraw/zinc/63/20/42/922632042.db2.gz RTOTUJIINBPIHI-NSHDSACASA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419089296 922632048 /nfs/dbraw/zinc/63/20/48/922632048.db2.gz RTOTUJIINBPIHI-NSHDSACASA-N 1 2 273.764 0.456 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001342727015 923072962 /nfs/dbraw/zinc/07/29/62/923072962.db2.gz GVDWIEROUJSOBG-NEPJUHHUSA-N 1 2 271.361 0.207 20 30 CCEDLO C=C[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001342727015 923072982 /nfs/dbraw/zinc/07/29/82/923072982.db2.gz GVDWIEROUJSOBG-NEPJUHHUSA-N 1 2 271.361 0.207 20 30 CCEDLO CC(C)[N@H+](C)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001347906496 924559087 /nfs/dbraw/zinc/55/90/87/924559087.db2.gz OWTTXJTUHQEPIE-UHFFFAOYSA-N 1 2 279.344 0.087 20 30 CCEDLO CC(C)[N@@H+](C)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001347906496 924559090 /nfs/dbraw/zinc/55/90/90/924559090.db2.gz OWTTXJTUHQEPIE-UHFFFAOYSA-N 1 2 279.344 0.087 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC=C)C1 ZINC001479962614 924942761 /nfs/dbraw/zinc/94/27/61/924942761.db2.gz XMFGXYQWEVORKK-ZDUSSCGKSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC=C)C1 ZINC001479962614 924942767 /nfs/dbraw/zinc/94/27/67/924942767.db2.gz XMFGXYQWEVORKK-ZDUSSCGKSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(F)F)n2C)CC1 ZINC001350308359 925167071 /nfs/dbraw/zinc/16/70/71/925167071.db2.gz VMLVFKRVGJHJHM-UHFFFAOYSA-N 1 2 269.299 0.682 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001351131721 925365636 /nfs/dbraw/zinc/36/56/36/925365636.db2.gz DXAPVLDNUXLKHP-QWRGUYRKSA-N 1 2 265.361 0.565 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001351131721 925365645 /nfs/dbraw/zinc/36/56/45/925365645.db2.gz DXAPVLDNUXLKHP-QWRGUYRKSA-N 1 2 265.361 0.565 20 30 CCEDLO C=C1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001354702297 926158223 /nfs/dbraw/zinc/15/82/23/926158223.db2.gz WCWSMRKLHSULDV-UHFFFAOYSA-N 1 2 291.355 0.619 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cccc(=O)[nH]1 ZINC001355008213 926195329 /nfs/dbraw/zinc/19/53/29/926195329.db2.gz KHHFUJNVTKYDQJ-UHFFFAOYSA-N 1 2 274.324 0.781 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cccc(=O)[nH]1 ZINC001355008213 926195333 /nfs/dbraw/zinc/19/53/33/926195333.db2.gz KHHFUJNVTKYDQJ-UHFFFAOYSA-N 1 2 274.324 0.781 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)CC#N)n2C)CC1 ZINC001355553527 926282092 /nfs/dbraw/zinc/28/20/92/926282092.db2.gz NVLLLPXAAHPGRA-UHFFFAOYSA-N 1 2 286.383 0.762 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001356425866 926379937 /nfs/dbraw/zinc/37/99/37/926379937.db2.gz XOUJYTYISSXXBI-CYBMUJFWSA-N 1 2 277.368 0.165 20 30 CCEDLO C=C(C)CCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001356779106 926435445 /nfs/dbraw/zinc/43/54/45/926435445.db2.gz CZTIDLOSXYSROJ-UHFFFAOYSA-N 1 2 290.367 0.957 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001357794634 926598290 /nfs/dbraw/zinc/59/82/90/926598290.db2.gz CLNZXNKLDSTUCR-ARJAWSKDSA-N 1 2 288.351 0.400 20 30 CCEDLO C=CCCCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001358279135 926665966 /nfs/dbraw/zinc/66/59/66/926665966.db2.gz RGUUSQOOBKUOEB-GFCCVEGCSA-N 1 2 292.383 0.940 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001358340943 926676423 /nfs/dbraw/zinc/67/64/23/926676423.db2.gz YHHOHOWGKKVFJJ-LLVKDONJSA-N 1 2 276.340 0.377 20 30 CCEDLO C#CCN(C(=O)Cn1cc[nH+]c1)C1CCN(C(C)=O)CC1 ZINC001358760697 926817660 /nfs/dbraw/zinc/81/76/60/926817660.db2.gz JSCPKPDUHMKUGU-UHFFFAOYSA-N 1 2 288.351 0.356 20 30 CCEDLO CNC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001422250141 927173647 /nfs/dbraw/zinc/17/36/47/927173647.db2.gz BLUHNAOKSFIVFY-CYBMUJFWSA-N 1 2 273.340 0.847 20 30 CCEDLO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001422250141 927173661 /nfs/dbraw/zinc/17/36/61/927173661.db2.gz BLUHNAOKSFIVFY-CYBMUJFWSA-N 1 2 273.340 0.847 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001422608653 927406051 /nfs/dbraw/zinc/40/60/51/927406051.db2.gz XXXAGLUCOGZKDA-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001422608653 927406063 /nfs/dbraw/zinc/40/60/63/927406063.db2.gz XXXAGLUCOGZKDA-SECBINFHSA-N 1 2 298.774 0.916 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363798204 929586958 /nfs/dbraw/zinc/58/69/58/929586958.db2.gz LKSXDJAHEMEUPN-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363798204 929586964 /nfs/dbraw/zinc/58/69/64/929586964.db2.gz LKSXDJAHEMEUPN-UONOGXRCSA-N 1 2 294.376 0.711 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001363812770 929602293 /nfs/dbraw/zinc/60/22/93/929602293.db2.gz CITICXUCIHXTIR-NEPJUHHUSA-N 1 2 297.322 0.087 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001363812770 929602307 /nfs/dbraw/zinc/60/23/07/929602307.db2.gz CITICXUCIHXTIR-NEPJUHHUSA-N 1 2 297.322 0.087 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001444974190 929987842 /nfs/dbraw/zinc/98/78/42/929987842.db2.gz MMIFPPDIGBMHAI-WDEREUQCSA-N 1 2 288.775 0.938 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC001444974190 929987848 /nfs/dbraw/zinc/98/78/48/929987848.db2.gz MMIFPPDIGBMHAI-WDEREUQCSA-N 1 2 288.775 0.938 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001372928834 930019898 /nfs/dbraw/zinc/01/98/98/930019898.db2.gz YZAVWONRONSUMJ-VHSXEESVSA-N 1 2 295.343 0.485 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374488248 930518284 /nfs/dbraw/zinc/51/82/84/930518284.db2.gz WPUVWGLPBLORSR-UHFFFAOYSA-N 1 2 290.795 0.448 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374488248 930518299 /nfs/dbraw/zinc/51/82/99/930518299.db2.gz WPUVWGLPBLORSR-UHFFFAOYSA-N 1 2 290.795 0.448 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001374500404 930533915 /nfs/dbraw/zinc/53/39/15/930533915.db2.gz CDCLVDRRGXSYMS-UHFFFAOYSA-N 1 2 276.768 0.058 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001374500404 930533924 /nfs/dbraw/zinc/53/39/24/930533924.db2.gz CDCLVDRRGXSYMS-UHFFFAOYSA-N 1 2 276.768 0.058 20 30 CCEDLO C[C@@H](O)CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001447372442 930618924 /nfs/dbraw/zinc/61/89/24/930618924.db2.gz BLVYQISRZSREBV-CHWSQXEVSA-N 1 2 295.383 0.220 20 30 CCEDLO CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C#N ZINC001375119257 930798885 /nfs/dbraw/zinc/79/88/85/930798885.db2.gz FBBZLGKSRHODFH-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)[C@@H](C)C#N ZINC001375119257 930798891 /nfs/dbraw/zinc/79/88/91/930798891.db2.gz FBBZLGKSRHODFH-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO COc1cc(C[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])ccc1C#N ZINC001599407338 997343400 /nfs/dbraw/zinc/34/34/00/997343400.db2.gz JXNARGZRNOUGSN-ZDUSSCGKSA-N 1 2 289.335 0.815 20 30 CCEDLO COc1cc(C[N@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])ccc1C#N ZINC001599407338 997343480 /nfs/dbraw/zinc/34/34/80/997343480.db2.gz JXNARGZRNOUGSN-ZDUSSCGKSA-N 1 2 289.335 0.815 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090630792 349440065 /nfs/dbraw/zinc/44/00/65/349440065.db2.gz VWGNAVADDWTLAV-GFCCVEGCSA-N 1 2 290.342 0.481 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCN(CCOC)C(=O)C1 ZINC000091830467 349477054 /nfs/dbraw/zinc/47/70/54/349477054.db2.gz UZXIDTPDFNSOLY-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000091830467 349477058 /nfs/dbraw/zinc/47/70/58/349477058.db2.gz UZXIDTPDFNSOLY-GFCCVEGCSA-N 1 2 256.346 0.104 20 30 CCEDLO C[C@H]1CO[C@H](CO)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000092041730 349481580 /nfs/dbraw/zinc/48/15/80/349481580.db2.gz RQOGGVDSFLGLKS-FZMZJTMJSA-N 1 2 286.335 0.788 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000092097842 349482351 /nfs/dbraw/zinc/48/23/51/349482351.db2.gz HRGZOJCLVDATHY-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000092097842 349482355 /nfs/dbraw/zinc/48/23/55/349482355.db2.gz HRGZOJCLVDATHY-ZDUSSCGKSA-N 1 2 283.335 0.916 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000092735753 349504279 /nfs/dbraw/zinc/50/42/79/349504279.db2.gz LPEJQXUPOAEOFN-SNVBAGLBSA-N 1 2 251.311 0.306 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000092735753 349504281 /nfs/dbraw/zinc/50/42/81/349504281.db2.gz LPEJQXUPOAEOFN-SNVBAGLBSA-N 1 2 251.311 0.306 20 30 CCEDLO C[N@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C#N)cc1 ZINC000094298628 349565701 /nfs/dbraw/zinc/56/57/01/349565701.db2.gz JQRGSEOSXKKGMW-ZDUSSCGKSA-N 1 2 282.365 0.568 20 30 CCEDLO C[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C#N)cc1 ZINC000094298628 349565704 /nfs/dbraw/zinc/56/57/04/349565704.db2.gz JQRGSEOSXKKGMW-ZDUSSCGKSA-N 1 2 282.365 0.568 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000600423031 361958087 /nfs/dbraw/zinc/95/80/87/361958087.db2.gz ZQMUVJXJPUGMLI-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000600423031 361958092 /nfs/dbraw/zinc/95/80/92/361958092.db2.gz ZQMUVJXJPUGMLI-CQSZACIVSA-N 1 2 273.336 0.548 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cscc1C#N ZINC000600417715 361954148 /nfs/dbraw/zinc/95/41/48/361954148.db2.gz AIXIJVHAQQAHHM-JTQLQIEISA-N 1 2 265.338 0.680 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cscc1C#N ZINC000600417715 361954152 /nfs/dbraw/zinc/95/41/52/361954152.db2.gz AIXIJVHAQQAHHM-JTQLQIEISA-N 1 2 265.338 0.680 20 30 CCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC#N)CC1 ZINC000103882249 349704569 /nfs/dbraw/zinc/70/45/69/349704569.db2.gz CTMWRMCPWUABAQ-GFCCVEGCSA-N 1 2 250.346 0.138 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682907 362033270 /nfs/dbraw/zinc/03/32/70/362033270.db2.gz OQDJKYVBCMELRO-OCCSQVGLSA-N 1 2 288.351 0.558 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682907 362033276 /nfs/dbraw/zinc/03/32/76/362033276.db2.gz OQDJKYVBCMELRO-OCCSQVGLSA-N 1 2 288.351 0.558 20 30 CCEDLO N#Cc1cccnc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601177048 362166897 /nfs/dbraw/zinc/16/68/97/362166897.db2.gz QARVWWYVCHPGLU-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601316063 362215876 /nfs/dbraw/zinc/21/58/76/362215876.db2.gz SIOIYHUHKFWTER-NEPJUHHUSA-N 1 2 289.401 0.128 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601316063 362215884 /nfs/dbraw/zinc/21/58/84/362215884.db2.gz SIOIYHUHKFWTER-NEPJUHHUSA-N 1 2 289.401 0.128 20 30 CCEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)CCC#N ZINC000601429804 362269690 /nfs/dbraw/zinc/26/96/90/362269690.db2.gz RHKNNAHCQDGVNR-SNVBAGLBSA-N 1 2 285.373 0.644 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601530254 362301100 /nfs/dbraw/zinc/30/11/00/362301100.db2.gz GVKSYFVYINAMPV-SECBINFHSA-N 1 2 271.346 0.178 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000127249142 187291766 /nfs/dbraw/zinc/29/17/66/187291766.db2.gz JKUGBEULMFPYHC-NSHDSACASA-N 1 2 275.356 0.252 20 30 CCEDLO N#CCCN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000602208974 362560146 /nfs/dbraw/zinc/56/01/46/362560146.db2.gz TYHSIVKZDOLNGE-UHFFFAOYSA-N 1 2 275.356 0.721 20 30 CCEDLO Cn1cc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1C#N ZINC000361556765 232153389 /nfs/dbraw/zinc/15/33/89/232153389.db2.gz KVENXZZZHLGXEF-UHFFFAOYSA-N 1 2 284.367 0.938 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncc2n1CCCC2 ZINC000602336070 362590442 /nfs/dbraw/zinc/59/04/42/362590442.db2.gz XMEMPVBEAHJAQK-CQSZACIVSA-N 1 2 275.356 0.793 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602473408 362635760 /nfs/dbraw/zinc/63/57/60/362635760.db2.gz QVFDJPTZMPFMNS-UHFFFAOYSA-N 1 2 289.335 0.843 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1C ZINC000602696185 362756300 /nfs/dbraw/zinc/75/63/00/362756300.db2.gz JNUOPVRLPDLLJC-CQSZACIVSA-N 1 2 277.324 0.662 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)n1C ZINC000602696185 362756311 /nfs/dbraw/zinc/75/63/11/362756311.db2.gz JNUOPVRLPDLLJC-CQSZACIVSA-N 1 2 277.324 0.662 20 30 CCEDLO C[C@H](CCC#N)C[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000602734171 362775247 /nfs/dbraw/zinc/77/52/47/362775247.db2.gz FJJJTMBXTIFRGI-NEPJUHHUSA-N 1 2 289.401 0.176 20 30 CCEDLO C[C@H](CCC#N)C[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000602734171 362775251 /nfs/dbraw/zinc/77/52/51/362775251.db2.gz FJJJTMBXTIFRGI-NEPJUHHUSA-N 1 2 289.401 0.176 20 30 CCEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)[nH]1 ZINC000602748839 362781845 /nfs/dbraw/zinc/78/18/45/362781845.db2.gz SIMBWEXOPQLWHE-UHFFFAOYSA-N 1 2 289.383 0.748 20 30 CCEDLO N#CCCN1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000602751910 362784261 /nfs/dbraw/zinc/78/42/61/362784261.db2.gz MDMKXEDOWUXOQA-UHFFFAOYSA-N 1 2 259.357 0.861 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000062255592 136772074 /nfs/dbraw/zinc/77/20/74/136772074.db2.gz GRBCMTFQMLOXLJ-UHFFFAOYSA-N 1 2 288.332 0.959 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H](C)N1CC#N ZINC000602854583 362842095 /nfs/dbraw/zinc/84/20/95/362842095.db2.gz CBISGORYQAEGSC-KBPBESRZSA-N 1 2 278.400 0.917 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H](C)N1CC#N ZINC000602855603 362842507 /nfs/dbraw/zinc/84/25/07/362842507.db2.gz HRIVIJJXANBRCZ-GHMZBOCLSA-N 1 2 250.346 0.183 20 30 CCEDLO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602863242 362847154 /nfs/dbraw/zinc/84/71/54/362847154.db2.gz MBGUMRWFIXWGOB-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO C[C@@H](C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)CS(C)(=O)=O ZINC000602864858 362849135 /nfs/dbraw/zinc/84/91/35/362849135.db2.gz QWEFTNCPVMSNJC-RWMBFGLXSA-N 1 2 287.429 0.585 20 30 CCEDLO C[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)CS(C)(=O)=O ZINC000602864858 362849140 /nfs/dbraw/zinc/84/91/40/362849140.db2.gz QWEFTNCPVMSNJC-RWMBFGLXSA-N 1 2 287.429 0.585 20 30 CCEDLO N#Cc1ccncc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343373368 137131535 /nfs/dbraw/zinc/13/15/35/137131535.db2.gz ONMGQMUQODLBRC-CYBMUJFWSA-N 1 2 286.335 0.546 20 30 CCEDLO N#Cc1ccncc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343373368 137131536 /nfs/dbraw/zinc/13/15/36/137131536.db2.gz ONMGQMUQODLBRC-CYBMUJFWSA-N 1 2 286.335 0.546 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000339356552 215117684 /nfs/dbraw/zinc/11/76/84/215117684.db2.gz GVOWEDFCIDJRID-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000339356552 215117686 /nfs/dbraw/zinc/11/76/86/215117686.db2.gz GVOWEDFCIDJRID-GFCCVEGCSA-N 1 2 277.324 0.499 20 30 CCEDLO COC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000344981982 137226018 /nfs/dbraw/zinc/22/60/18/137226018.db2.gz LSXYCCAGNYINOP-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000602868021 362851116 /nfs/dbraw/zinc/85/11/16/362851116.db2.gz GXLKQJYQAOZOOZ-RNFRBKRXSA-N 1 2 280.250 0.655 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880216 362860639 /nfs/dbraw/zinc/86/06/39/362860639.db2.gz JCHHCAPMLBPTMQ-NSHDSACASA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880216 362860640 /nfs/dbraw/zinc/86/06/40/362860640.db2.gz JCHHCAPMLBPTMQ-NSHDSACASA-N 1 2 277.328 0.558 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000048598554 348418393 /nfs/dbraw/zinc/41/83/93/348418393.db2.gz MZGNUMCRLMUWFH-UHFFFAOYSA-N 1 2 297.318 0.900 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000048047953 348397639 /nfs/dbraw/zinc/39/76/39/348397639.db2.gz HBVFDTRDBNADCR-CQSZACIVSA-N 1 2 280.372 0.382 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000048047953 348397643 /nfs/dbraw/zinc/39/76/43/348397643.db2.gz HBVFDTRDBNADCR-CQSZACIVSA-N 1 2 280.372 0.382 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000347418301 137335550 /nfs/dbraw/zinc/33/55/50/137335550.db2.gz ABJWUFBMLHZEJU-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO CN(C)C(=O)C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000349119435 137387762 /nfs/dbraw/zinc/38/77/62/137387762.db2.gz PTTFEWSDRJKGIE-UHFFFAOYSA-N 1 2 288.351 0.194 20 30 CCEDLO CN(C)C(=O)C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000349119435 137387763 /nfs/dbraw/zinc/38/77/63/137387763.db2.gz PTTFEWSDRJKGIE-UHFFFAOYSA-N 1 2 288.351 0.194 20 30 CCEDLO N#Cc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000048918026 348429722 /nfs/dbraw/zinc/42/97/22/348429722.db2.gz ITSUPRZWJIFXDN-UHFFFAOYSA-N 1 2 283.291 0.510 20 30 CCEDLO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000057847817 348617726 /nfs/dbraw/zinc/61/77/26/348617726.db2.gz OCMDCRBRTIODIE-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(C)C[N@H+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000057847817 348617727 /nfs/dbraw/zinc/61/77/27/348617727.db2.gz OCMDCRBRTIODIE-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)C[C@@H](C)C#N ZINC000066425027 348742781 /nfs/dbraw/zinc/74/27/81/348742781.db2.gz NLZAZTYBEIKQSH-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)C[C@@H](C)C#N ZINC000066425027 348742784 /nfs/dbraw/zinc/74/27/84/348742784.db2.gz NLZAZTYBEIKQSH-LBPRGKRZSA-N 1 2 277.372 0.860 20 30 CCEDLO C#CCN(CC#C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000072906828 348937420 /nfs/dbraw/zinc/93/74/20/348937420.db2.gz ALEZQRFGNJVYDZ-UHFFFAOYSA-N 1 2 299.374 0.492 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072973000 348939585 /nfs/dbraw/zinc/93/95/85/348939585.db2.gz BJDZPFQNYMYXHA-LBPRGKRZSA-N 1 2 282.388 0.547 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072973000 348939588 /nfs/dbraw/zinc/93/95/88/348939588.db2.gz BJDZPFQNYMYXHA-LBPRGKRZSA-N 1 2 282.388 0.547 20 30 CCEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#N)CC1 ZINC000071309062 348908092 /nfs/dbraw/zinc/90/80/92/348908092.db2.gz IFTSDNDGKKQRJO-GFCCVEGCSA-N 1 2 264.373 0.575 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000076876072 349093461 /nfs/dbraw/zinc/09/34/61/349093461.db2.gz HTFFJWBKVZDBHW-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000076876072 349093464 /nfs/dbraw/zinc/09/34/64/349093464.db2.gz HTFFJWBKVZDBHW-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000081040255 349243078 /nfs/dbraw/zinc/24/30/78/349243078.db2.gz GLHTVCMIKMXGBP-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000081040255 349243081 /nfs/dbraw/zinc/24/30/81/349243081.db2.gz GLHTVCMIKMXGBP-RYUDHWBXSA-N 1 2 280.372 0.334 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000081040916 349243336 /nfs/dbraw/zinc/24/33/36/349243336.db2.gz ZNPWTWTXVKWXST-JTQLQIEISA-N 1 2 252.318 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000081040916 349243338 /nfs/dbraw/zinc/24/33/38/349243338.db2.gz ZNPWTWTXVKWXST-JTQLQIEISA-N 1 2 252.318 0.622 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000081050254 349244504 /nfs/dbraw/zinc/24/45/04/349244504.db2.gz CHIWVEUSVUMAET-GFCCVEGCSA-N 1 2 251.330 0.612 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000081050254 349244507 /nfs/dbraw/zinc/24/45/07/349244507.db2.gz CHIWVEUSVUMAET-GFCCVEGCSA-N 1 2 251.330 0.612 20 30 CCEDLO COCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081530592 349272162 /nfs/dbraw/zinc/27/21/62/349272162.db2.gz AWLLGYYSFZTTCM-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO COCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081530592 349272165 /nfs/dbraw/zinc/27/21/65/349272165.db2.gz AWLLGYYSFZTTCM-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO COCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081530592 349272167 /nfs/dbraw/zinc/27/21/67/349272167.db2.gz AWLLGYYSFZTTCM-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO CN(Cc1ccccc1C#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083245131 349304078 /nfs/dbraw/zinc/30/40/78/349304078.db2.gz OTTXRXXMVHITNL-MRXNPFEDSA-N 1 2 289.379 0.683 20 30 CCEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088370261 349363197 /nfs/dbraw/zinc/36/31/97/349363197.db2.gz MIXUKSJBCMUQDJ-ZDUSSCGKSA-N 1 2 289.335 0.529 20 30 CCEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000089423213 349385949 /nfs/dbraw/zinc/38/59/49/349385949.db2.gz UQWIDXXULMCPMN-UHFFFAOYSA-N 1 2 259.309 0.195 20 30 CCEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(N)=O ZINC000120894558 350011818 /nfs/dbraw/zinc/01/18/18/350011818.db2.gz JSHRTVSIPZIFLH-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(N)=O ZINC000120894558 350011819 /nfs/dbraw/zinc/01/18/19/350011819.db2.gz JSHRTVSIPZIFLH-NSHDSACASA-N 1 2 291.351 0.889 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000271360551 191095272 /nfs/dbraw/zinc/09/52/72/191095272.db2.gz ILUXETLUEDLJIL-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000271360551 191095274 /nfs/dbraw/zinc/09/52/74/191095274.db2.gz ILUXETLUEDLJIL-UHFFFAOYSA-N 1 2 293.411 0.850 20 30 CCEDLO N#Cc1cc(F)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000135271990 350390433 /nfs/dbraw/zinc/39/04/33/350390433.db2.gz UBNGUDVMKKBXNR-CYBMUJFWSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2CO)c1 ZINC000168141423 350822024 /nfs/dbraw/zinc/82/20/24/350822024.db2.gz NJPSWSDEVKPPMV-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2CO)c1 ZINC000168141423 350822027 /nfs/dbraw/zinc/82/20/27/350822027.db2.gz NJPSWSDEVKPPMV-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1CO ZINC000168827585 350831536 /nfs/dbraw/zinc/83/15/36/350831536.db2.gz PSXDSEDICRMJMG-LLVKDONJSA-N 1 2 295.364 0.641 20 30 CCEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1CO ZINC000168827585 350831539 /nfs/dbraw/zinc/83/15/39/350831539.db2.gz PSXDSEDICRMJMG-LLVKDONJSA-N 1 2 295.364 0.641 20 30 CCEDLO C=CC[N@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000171749214 350931701 /nfs/dbraw/zinc/93/17/01/350931701.db2.gz RPUYIVUQPQCNHG-GFCCVEGCSA-N 1 2 269.370 0.558 20 30 CCEDLO C=CC[N@@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000171749214 350931704 /nfs/dbraw/zinc/93/17/04/350931704.db2.gz RPUYIVUQPQCNHG-GFCCVEGCSA-N 1 2 269.370 0.558 20 30 CCEDLO CC1(C)C[N@H+](CCNc2nccnc2C#N)CCO1 ZINC000171026924 350878535 /nfs/dbraw/zinc/87/85/35/350878535.db2.gz JWIRHPKFZKAMIZ-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)C[N@@H+](CCNc2nccnc2C#N)CCO1 ZINC000171026924 350878537 /nfs/dbraw/zinc/87/85/37/350878537.db2.gz JWIRHPKFZKAMIZ-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000172886226 351015680 /nfs/dbraw/zinc/01/56/80/351015680.db2.gz ULWZKJCUQVMLPQ-ZDUSSCGKSA-N 1 2 268.357 0.534 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](COC)C1 ZINC000172886226 351015683 /nfs/dbraw/zinc/01/56/83/351015683.db2.gz ULWZKJCUQVMLPQ-ZDUSSCGKSA-N 1 2 268.357 0.534 20 30 CCEDLO COc1ccc(C[NH+]2CC(N3CCNC3=O)C2)cc1C#N ZINC000291484185 198033892 /nfs/dbraw/zinc/03/38/92/198033892.db2.gz RNUHFRBRBXEADL-UHFFFAOYSA-N 1 2 286.335 0.776 20 30 CCEDLO COC(=O)[C@@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000193101876 351811116 /nfs/dbraw/zinc/81/11/16/351811116.db2.gz WWGRBAMDFDVAMZ-SECBINFHSA-N 1 2 258.281 0.857 20 30 CCEDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336067 352112537 /nfs/dbraw/zinc/11/25/37/352112537.db2.gz NBJHPMOBNFOZGT-SECBINFHSA-N 1 2 285.394 0.992 20 30 CCEDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230336067 352112541 /nfs/dbraw/zinc/11/25/41/352112541.db2.gz NBJHPMOBNFOZGT-SECBINFHSA-N 1 2 285.394 0.992 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271558427 191211345 /nfs/dbraw/zinc/21/13/45/191211345.db2.gz MTRPRTOIEMHGPA-LBPRGKRZSA-N 1 2 291.376 0.840 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271558427 191211348 /nfs/dbraw/zinc/21/13/48/191211348.db2.gz MTRPRTOIEMHGPA-LBPRGKRZSA-N 1 2 291.376 0.840 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(N)s2)C1=O ZINC000262067405 352576018 /nfs/dbraw/zinc/57/60/18/352576018.db2.gz RTIHLBILNYYROY-SNVBAGLBSA-N 1 2 266.370 0.944 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(N)s2)C1=O ZINC000262067405 352576021 /nfs/dbraw/zinc/57/60/21/352576021.db2.gz RTIHLBILNYYROY-SNVBAGLBSA-N 1 2 266.370 0.944 20 30 CCEDLO C#CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000265063556 352617552 /nfs/dbraw/zinc/61/75/52/352617552.db2.gz METDDQIAKRDHAN-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000271597736 191233686 /nfs/dbraw/zinc/23/36/86/191233686.db2.gz SOECRHNMMZSEDP-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000271597736 191233688 /nfs/dbraw/zinc/23/36/88/191233688.db2.gz SOECRHNMMZSEDP-UHFFFAOYSA-N 1 2 295.346 0.956 20 30 CCEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)CO ZINC000292174544 198191743 /nfs/dbraw/zinc/19/17/43/198191743.db2.gz MCCSENISONENEL-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)CO ZINC000292174544 198191744 /nfs/dbraw/zinc/19/17/44/198191744.db2.gz MCCSENISONENEL-LLVKDONJSA-N 1 2 297.380 0.430 20 30 CCEDLO N#Cc1cnc(NCCC[N@@H+]2CCNC(=O)C2)c(Cl)c1 ZINC000270000765 352895147 /nfs/dbraw/zinc/89/51/47/352895147.db2.gz YCICAZYRVRAVNH-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO N#Cc1cnc(NCCC[N@H+]2CCNC(=O)C2)c(Cl)c1 ZINC000270000765 352895149 /nfs/dbraw/zinc/89/51/49/352895149.db2.gz YCICAZYRVRAVNH-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO Cn1ncc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292290942 198232517 /nfs/dbraw/zinc/23/25/17/198232517.db2.gz UFTOAROJVLVQRF-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1ncc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292290942 198232519 /nfs/dbraw/zinc/23/25/19/198232519.db2.gz UFTOAROJVLVQRF-ZDUSSCGKSA-N 1 2 284.323 0.735 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cncc(Cl)n2)CC1 ZINC000277400527 353241204 /nfs/dbraw/zinc/24/12/04/353241204.db2.gz YJINIHYTOBWKAD-UHFFFAOYSA-N 1 2 278.743 0.911 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CO)C2)nc1 ZINC000290163686 353712521 /nfs/dbraw/zinc/71/25/21/353712521.db2.gz DHWMIKIGCSBRCF-GFCCVEGCSA-N 1 2 295.364 0.041 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CO)C2)nc1 ZINC000290163686 353712524 /nfs/dbraw/zinc/71/25/24/353712524.db2.gz DHWMIKIGCSBRCF-GFCCVEGCSA-N 1 2 295.364 0.041 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000308299891 354183516 /nfs/dbraw/zinc/18/35/16/354183516.db2.gz LLAPJNNFWZBGIQ-UHFFFAOYSA-N 1 2 274.324 0.565 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000308299891 354183520 /nfs/dbraw/zinc/18/35/20/354183520.db2.gz LLAPJNNFWZBGIQ-UHFFFAOYSA-N 1 2 274.324 0.565 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329549865 354258371 /nfs/dbraw/zinc/25/83/71/354258371.db2.gz JBJSVXRFHRQUQL-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO Cc1ccnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329549865 354258372 /nfs/dbraw/zinc/25/83/72/354258372.db2.gz JBJSVXRFHRQUQL-VXGBXAGGSA-N 1 2 276.340 0.950 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CO ZINC000329738959 354259799 /nfs/dbraw/zinc/25/97/99/354259799.db2.gz NBQRRAMMTVFENR-ZJUUUORDSA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CO ZINC000329738959 354259802 /nfs/dbraw/zinc/25/98/02/354259802.db2.gz NBQRRAMMTVFENR-ZJUUUORDSA-N 1 2 264.329 0.638 20 30 CCEDLO CO[C@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCOC1 ZINC000329874081 354267980 /nfs/dbraw/zinc/26/79/80/354267980.db2.gz CONLNBIUFFCJIZ-CQSZACIVSA-N 1 2 284.356 0.613 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCOCC(F)(F)C2)C1 ZINC000329680137 283022516 /nfs/dbraw/zinc/02/25/16/283022516.db2.gz WHQFJCMRSNSQJC-SNVBAGLBSA-N 1 2 293.314 0.199 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCOCC(F)(F)C2)C1 ZINC000329680137 283022519 /nfs/dbraw/zinc/02/25/19/283022519.db2.gz WHQFJCMRSNSQJC-SNVBAGLBSA-N 1 2 293.314 0.199 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000331286561 354519133 /nfs/dbraw/zinc/51/91/33/354519133.db2.gz HHYWXHQDSGLJIH-GRYCIOLGSA-N 1 2 261.281 0.172 20 30 CCEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000331286561 354519138 /nfs/dbraw/zinc/51/91/38/354519138.db2.gz HHYWXHQDSGLJIH-GRYCIOLGSA-N 1 2 261.281 0.172 20 30 CCEDLO C[N@H+](CC1(C#N)CCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000331843090 354618122 /nfs/dbraw/zinc/61/81/22/354618122.db2.gz ZXFFBELTDHCBGA-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000331843090 354618125 /nfs/dbraw/zinc/61/81/25/354618125.db2.gz ZXFFBELTDHCBGA-NSHDSACASA-N 1 2 271.386 0.646 20 30 CCEDLO C=CCCOCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000608150486 363411536 /nfs/dbraw/zinc/41/15/36/363411536.db2.gz JIPOAOZWOPCMGZ-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C[C@@H]1C(=O)N(C)CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000342773029 355743276 /nfs/dbraw/zinc/74/32/76/355743276.db2.gz GIRXCGRZINWCAF-LLVKDONJSA-N 1 2 283.335 0.868 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000343366966 355769110 /nfs/dbraw/zinc/76/91/10/355769110.db2.gz TXDHOWOCGAAMAW-OLZOCXBDSA-N 1 2 297.399 0.246 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000348337532 355915018 /nfs/dbraw/zinc/91/50/18/355915018.db2.gz GLTAEHBPFSXYHM-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000348337532 355915025 /nfs/dbraw/zinc/91/50/25/355915025.db2.gz GLTAEHBPFSXYHM-SNVBAGLBSA-N 1 2 291.311 0.416 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC000353890815 356311295 /nfs/dbraw/zinc/31/12/95/356311295.db2.gz DAURNWHZHPEBTA-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC000353890815 356311297 /nfs/dbraw/zinc/31/12/97/356311297.db2.gz DAURNWHZHPEBTA-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnccc1C#N ZINC000362211463 138050871 /nfs/dbraw/zinc/05/08/71/138050871.db2.gz CTYVKMAJCIMSKQ-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000362275472 138053067 /nfs/dbraw/zinc/05/30/67/138053067.db2.gz DGTDXNMNSPWBAU-QWRGUYRKSA-N 1 2 250.273 0.625 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000362275472 138053068 /nfs/dbraw/zinc/05/30/68/138053068.db2.gz DGTDXNMNSPWBAU-QWRGUYRKSA-N 1 2 250.273 0.625 20 30 CCEDLO C=CCOC[C@@H]([NH2+]C1CCN(C(=O)CC)CC1)C(=O)OC ZINC000619509435 366270188 /nfs/dbraw/zinc/27/01/88/366270188.db2.gz QMTYDYNLWMAKGA-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO CCn1cc[nH+]c1CN1CCN(c2nccnc2C#N)CC1 ZINC000609257459 363480646 /nfs/dbraw/zinc/48/06/46/363480646.db2.gz RQGUTUDNQWDNOX-UHFFFAOYSA-N 1 2 297.366 0.887 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NCC3CC3)CC2)n1 ZINC000355082264 356571623 /nfs/dbraw/zinc/57/16/23/356571623.db2.gz QDRPVHKXSWDJOT-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484896 363499302 /nfs/dbraw/zinc/49/93/02/363499302.db2.gz GRHZIAJMSMLGRD-ZDUSSCGKSA-N 1 2 266.389 0.678 20 30 CCEDLO C=C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)C(=O)OC ZINC000619703152 366327460 /nfs/dbraw/zinc/32/74/60/366327460.db2.gz GNKICJHOEVEZPQ-GVXVVHGQSA-N 1 2 255.314 0.642 20 30 CCEDLO C=C[C@H](N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)OC ZINC000619722058 366342295 /nfs/dbraw/zinc/34/22/95/366342295.db2.gz WUPKGNQPAGLKBZ-IHRRRGAJSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC)CC1 ZINC000619715964 366333050 /nfs/dbraw/zinc/33/30/50/366333050.db2.gz DSPLWJYQMHVJNB-LBPRGKRZSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000619717062 366334095 /nfs/dbraw/zinc/33/40/95/366334095.db2.gz PQCBCNLKDHSLDV-NWDGAFQWSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000619717062 366334105 /nfs/dbraw/zinc/33/41/05/366334105.db2.gz PQCBCNLKDHSLDV-NWDGAFQWSA-N 1 2 268.357 0.952 20 30 CCEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)nn1 ZINC000619780420 366350948 /nfs/dbraw/zinc/35/09/48/366350948.db2.gz MLIKMIOFROQUMG-UHFFFAOYSA-N 1 2 261.329 0.516 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCCNc2cccc[nH+]2)[nH]1 ZINC000610560825 363575205 /nfs/dbraw/zinc/57/52/05/363575205.db2.gz KZYVXMTVPQELQN-UHFFFAOYSA-N 1 2 285.311 0.342 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000365987001 357182343 /nfs/dbraw/zinc/18/23/43/357182343.db2.gz MSBCMSPQAWQAPY-MGPQQGTHSA-N 1 2 279.384 0.084 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382679958 357713909 /nfs/dbraw/zinc/71/39/09/357713909.db2.gz ZYWRUAVZPRQPLP-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382679960 357713980 /nfs/dbraw/zinc/71/39/80/357713980.db2.gz ZYWRUAVZPRQPLP-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2cc(C#N)cnn2)C1 ZINC000400839313 357795518 /nfs/dbraw/zinc/79/55/18/357795518.db2.gz FVDRJIDRESRITM-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2cc(C#N)cnn2)C1 ZINC000400839313 357795521 /nfs/dbraw/zinc/79/55/21/357795521.db2.gz FVDRJIDRESRITM-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2cc(C#N)ncn2)C1 ZINC000400762852 357795801 /nfs/dbraw/zinc/79/58/01/357795801.db2.gz JCJHSZOWWPTDRB-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2cc(C#N)ncn2)C1 ZINC000400762852 357795803 /nfs/dbraw/zinc/79/58/03/357795803.db2.gz JCJHSZOWWPTDRB-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO CN(C)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000401978854 357807673 /nfs/dbraw/zinc/80/76/73/357807673.db2.gz KUEAAQWFMPNAPJ-UHFFFAOYSA-N 1 2 254.334 0.216 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000451289926 236149709 /nfs/dbraw/zinc/14/97/09/236149709.db2.gz XJDXNYVTSPOXEK-LLVKDONJSA-N 1 2 290.367 0.988 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000487358525 358285864 /nfs/dbraw/zinc/28/58/64/358285864.db2.gz AGSJRFPDBQXSOY-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO C=CCCS(=O)(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000487358525 358285868 /nfs/dbraw/zinc/28/58/68/358285868.db2.gz AGSJRFPDBQXSOY-GFCCVEGCSA-N 1 2 276.402 0.593 20 30 CCEDLO Cc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000562330733 291144661 /nfs/dbraw/zinc/14/46/61/291144661.db2.gz BPDFXXXRIFSYLH-NSHDSACASA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1nc(NCC[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000562330733 291144664 /nfs/dbraw/zinc/14/46/64/291144664.db2.gz BPDFXXXRIFSYLH-NSHDSACASA-N 1 2 260.341 0.816 20 30 CCEDLO C=C1CC[NH+](Cc2nc(CC(=O)NC)no2)CC1 ZINC000531167112 358445524 /nfs/dbraw/zinc/44/55/24/358445524.db2.gz ALXSMPAEPIDWEA-UHFFFAOYSA-N 1 2 250.302 0.510 20 30 CCEDLO C=CCOCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000620162555 366455599 /nfs/dbraw/zinc/45/55/99/366455599.db2.gz OLJIXUUXUBPURO-LBPRGKRZSA-N 1 2 266.345 0.342 20 30 CCEDLO Cc1cnn(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000565718818 358566217 /nfs/dbraw/zinc/56/62/17/358566217.db2.gz FIYUIZFETYZYNK-CYBMUJFWSA-N 1 2 263.345 0.542 20 30 CCEDLO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000570716149 358888484 /nfs/dbraw/zinc/88/84/84/358888484.db2.gz AODJIJMYHZGBOT-HTQZYQBOSA-N 1 2 258.285 0.480 20 30 CCEDLO Cn1nccc1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000573383415 358963174 /nfs/dbraw/zinc/96/31/74/358963174.db2.gz WMLFVKQEHXJMOR-UHFFFAOYSA-N 1 2 261.329 0.020 20 30 CCEDLO C=CCCCCCNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000573220571 358949774 /nfs/dbraw/zinc/94/97/74/358949774.db2.gz FVQVVEGACUPEMS-UHFFFAOYSA-N 1 2 292.383 0.941 20 30 CCEDLO N#CCCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000588162135 359316790 /nfs/dbraw/zinc/31/67/90/359316790.db2.gz RWIBYRLVDCYKHU-ZDUSSCGKSA-N 1 2 264.373 0.576 20 30 CCEDLO Cc1cc(N2CC[C@@H](O)C2)c(C#N)c(N2CC[C@@H](O)C2)[nH+]1 ZINC000589110979 359359675 /nfs/dbraw/zinc/35/96/75/359359675.db2.gz BBTVAIFLJZRWDY-VXGBXAGGSA-N 1 2 288.351 0.404 20 30 CCEDLO CNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000589990864 359415067 /nfs/dbraw/zinc/41/50/67/359415067.db2.gz PTAOLCFPQANLIT-AWEZNQCLSA-N 1 2 290.342 0.754 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590223893 359431395 /nfs/dbraw/zinc/43/13/95/359431395.db2.gz YHBWERZYHGOHOA-UHFFFAOYSA-N 1 2 287.367 0.758 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000589557694 359389961 /nfs/dbraw/zinc/38/99/61/359389961.db2.gz JWHKDGICBJDYNP-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1C ZINC000611083905 363656605 /nfs/dbraw/zinc/65/66/05/363656605.db2.gz MSGFGQSANNBIKF-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1C ZINC000611083905 363656610 /nfs/dbraw/zinc/65/66/10/363656610.db2.gz MSGFGQSANNBIKF-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)N1CCc2[nH+]c[nH]c2C1 ZINC000590602924 359498059 /nfs/dbraw/zinc/49/80/59/359498059.db2.gz YGXHJYMAGVCVKS-JTQLQIEISA-N 1 2 261.329 0.528 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)[nH]1 ZINC000611127449 363662536 /nfs/dbraw/zinc/66/25/36/363662536.db2.gz JLVMPSYWBIYENV-SNVBAGLBSA-N 1 2 299.338 0.469 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000329291129 202270393 /nfs/dbraw/zinc/27/03/93/202270393.db2.gz QUDIQGKAHDSEAB-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cnccc3C#N)C[C@H]21 ZINC000329291129 202270397 /nfs/dbraw/zinc/27/03/97/202270397.db2.gz QUDIQGKAHDSEAB-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591997982 359723102 /nfs/dbraw/zinc/72/31/02/359723102.db2.gz GCCVTHCOLSFNKA-JQWIXIFHSA-N 1 2 275.308 0.622 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592147445 359766326 /nfs/dbraw/zinc/76/63/26/359766326.db2.gz LYOVNYVGQFITFO-VNHYZAJKSA-N 1 2 279.384 0.841 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592147445 359766329 /nfs/dbraw/zinc/76/63/29/359766329.db2.gz LYOVNYVGQFITFO-VNHYZAJKSA-N 1 2 279.384 0.841 20 30 CCEDLO COc1ccc2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)[nH]c2n1 ZINC000592151732 359770112 /nfs/dbraw/zinc/77/01/12/359770112.db2.gz PKUPZRQXTHYCSJ-AWEZNQCLSA-N 1 2 287.323 0.817 20 30 CCEDLO COc1ccc2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)[nH]c2n1 ZINC000592151732 359770115 /nfs/dbraw/zinc/77/01/15/359770115.db2.gz PKUPZRQXTHYCSJ-AWEZNQCLSA-N 1 2 287.323 0.817 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175889 363671963 /nfs/dbraw/zinc/67/19/63/363671963.db2.gz OQIRNVSAPPGYIO-LBPRGKRZSA-N 1 2 295.387 0.140 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C[C@@H](C)O1 ZINC000611175460 363672655 /nfs/dbraw/zinc/67/26/55/363672655.db2.gz CPXUPULIAISPAC-ZIAGYGMSSA-N 1 2 294.399 0.153 20 30 CCEDLO C[N@H+](CC(=O)N1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000592497568 359860442 /nfs/dbraw/zinc/86/04/42/359860442.db2.gz WTJMHQUWIZHEAT-UHFFFAOYSA-N 1 2 298.350 0.655 20 30 CCEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000592497568 359860446 /nfs/dbraw/zinc/86/04/46/359860446.db2.gz WTJMHQUWIZHEAT-UHFFFAOYSA-N 1 2 298.350 0.655 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000592524771 359870218 /nfs/dbraw/zinc/87/02/18/359870218.db2.gz ZYDXWDDCMAMMBM-OAHLLOKOSA-N 1 2 287.367 0.927 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000592524771 359870220 /nfs/dbraw/zinc/87/02/20/359870220.db2.gz ZYDXWDDCMAMMBM-OAHLLOKOSA-N 1 2 287.367 0.927 20 30 CCEDLO CN(C)C[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000593154387 360048847 /nfs/dbraw/zinc/04/88/47/360048847.db2.gz KUSLJGITLHUHEY-ZDUSSCGKSA-N 1 2 263.345 0.623 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094499 360034935 /nfs/dbraw/zinc/03/49/35/360034935.db2.gz JKGHPSMOXFLKON-OAVHHTNSSA-N 1 2 268.382 0.392 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593094499 360034938 /nfs/dbraw/zinc/03/49/38/360034938.db2.gz JKGHPSMOXFLKON-OAVHHTNSSA-N 1 2 268.382 0.392 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000593885876 360194543 /nfs/dbraw/zinc/19/45/43/360194543.db2.gz DJFVYXVFJGMIFV-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593887607 360194668 /nfs/dbraw/zinc/19/46/68/360194668.db2.gz XFDMNZCCFXAXKV-HNNXBMFYSA-N 1 2 297.399 0.733 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000594967335 360428109 /nfs/dbraw/zinc/42/81/09/360428109.db2.gz WOJAEMFUHCHSQV-CHWSQXEVSA-N 1 2 298.339 0.599 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595633406 360602215 /nfs/dbraw/zinc/60/22/15/360602215.db2.gz WJAWQTHFZFDOCM-GFCCVEGCSA-N 1 2 290.392 0.972 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834361 360673275 /nfs/dbraw/zinc/67/32/75/360673275.db2.gz KUPHKWQFCISASF-ZANVPECISA-N 1 2 264.329 0.599 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834361 360673280 /nfs/dbraw/zinc/67/32/80/360673280.db2.gz KUPHKWQFCISASF-ZANVPECISA-N 1 2 264.329 0.599 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840688 360675924 /nfs/dbraw/zinc/67/59/24/360675924.db2.gz CLNRQVPTUCZQSC-FZMZJTMJSA-N 1 2 279.340 0.386 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595840688 360675926 /nfs/dbraw/zinc/67/59/26/360675926.db2.gz CLNRQVPTUCZQSC-FZMZJTMJSA-N 1 2 279.340 0.386 20 30 CCEDLO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841113 360676670 /nfs/dbraw/zinc/67/66/70/360676670.db2.gz IAYQFBZLPHPXFG-BXKDBHETSA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841113 360676674 /nfs/dbraw/zinc/67/66/74/360676674.db2.gz IAYQFBZLPHPXFG-BXKDBHETSA-N 1 2 250.302 0.162 20 30 CCEDLO Cn1ncc(C#N)c1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000596102809 360795330 /nfs/dbraw/zinc/79/53/30/360795330.db2.gz ZCGZUMIWIQQYQQ-UHFFFAOYSA-N 1 2 263.345 0.814 20 30 CCEDLO Cn1ncc(C#N)c1NCC[N@H+]1CCOC(C)(C)C1 ZINC000596102809 360795334 /nfs/dbraw/zinc/79/53/34/360795334.db2.gz ZCGZUMIWIQQYQQ-UHFFFAOYSA-N 1 2 263.345 0.814 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000563716452 291248604 /nfs/dbraw/zinc/24/86/04/291248604.db2.gz VNEVILIQXHNJQN-LBPRGKRZSA-N 1 2 298.343 0.275 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000597272932 361047564 /nfs/dbraw/zinc/04/75/64/361047564.db2.gz AQFYGKPDIWTFOT-GFCCVEGCSA-N 1 2 273.340 0.113 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]n1CCC#N ZINC000597459533 361103203 /nfs/dbraw/zinc/10/32/03/361103203.db2.gz BHPVLGBBIFZMOZ-LLVKDONJSA-N 1 2 298.350 0.994 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]n1CCC#N ZINC000597459533 361103208 /nfs/dbraw/zinc/10/32/08/361103208.db2.gz BHPVLGBBIFZMOZ-LLVKDONJSA-N 1 2 298.350 0.994 20 30 CCEDLO C[C@H](C#N)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597676928 361188579 /nfs/dbraw/zinc/18/85/79/361188579.db2.gz CYTPTQGLVUMWTG-OLZOCXBDSA-N 1 2 297.424 0.812 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@H](C#N)CO)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000597744324 361227381 /nfs/dbraw/zinc/22/73/81/361227381.db2.gz RIGCYBDFHFVBSX-LPWJVIDDSA-N 1 2 283.372 0.121 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597911357 361281053 /nfs/dbraw/zinc/28/10/53/361281053.db2.gz KYKSTQZRCOILJB-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597911357 361281055 /nfs/dbraw/zinc/28/10/55/361281055.db2.gz KYKSTQZRCOILJB-CYBMUJFWSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598707678 361492715 /nfs/dbraw/zinc/49/27/15/361492715.db2.gz YWHUJSVRRHKKDB-JTQLQIEISA-N 1 2 280.376 0.818 20 30 CCEDLO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591989 361451700 /nfs/dbraw/zinc/45/17/00/361451700.db2.gz DICMPCVVOSKNHL-NEPJUHHUSA-N 1 2 293.371 0.787 20 30 CCEDLO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)[nH]1 ZINC000598591989 361451705 /nfs/dbraw/zinc/45/17/05/361451705.db2.gz DICMPCVVOSKNHL-NEPJUHHUSA-N 1 2 293.371 0.787 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000598836722 361523084 /nfs/dbraw/zinc/52/30/84/361523084.db2.gz PNSKTKKHAQFFTL-GFCCVEGCSA-N 1 2 279.348 0.002 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598940989 361534530 /nfs/dbraw/zinc/53/45/30/361534530.db2.gz ZVPRMURMUMUNED-VIFPVBQESA-N 1 2 255.281 0.448 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000599193533 361607622 /nfs/dbraw/zinc/60/76/22/361607622.db2.gz LEXXBOHEKBJQOV-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000599193533 361607626 /nfs/dbraw/zinc/60/76/26/361607626.db2.gz LEXXBOHEKBJQOV-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386541 361679781 /nfs/dbraw/zinc/67/97/81/361679781.db2.gz OATUVZQPXKHBIL-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386541 361679787 /nfs/dbraw/zinc/67/97/87/361679787.db2.gz OATUVZQPXKHBIL-KBPBESRZSA-N 1 2 274.320 0.975 20 30 CCEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000614924771 364787336 /nfs/dbraw/zinc/78/73/36/364787336.db2.gz LSTSJKRUHFYVOH-SNVBAGLBSA-N 1 2 279.262 0.669 20 30 CCEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000614924771 364787337 /nfs/dbraw/zinc/78/73/37/364787337.db2.gz LSTSJKRUHFYVOH-SNVBAGLBSA-N 1 2 279.262 0.669 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616099872 365177790 /nfs/dbraw/zinc/17/77/90/365177790.db2.gz DVVZSSZIFJQLEO-QWRGUYRKSA-N 1 2 263.341 0.958 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616099872 365177795 /nfs/dbraw/zinc/17/77/95/365177795.db2.gz DVVZSSZIFJQLEO-QWRGUYRKSA-N 1 2 263.341 0.958 20 30 CCEDLO C=CCCCN(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631991545 370813562 /nfs/dbraw/zinc/81/35/62/370813562.db2.gz WYCJYUCBPOZCGJ-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=CCCCN(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631991545 370813567 /nfs/dbraw/zinc/81/35/67/370813567.db2.gz WYCJYUCBPOZCGJ-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616862038 365462705 /nfs/dbraw/zinc/46/27/05/365462705.db2.gz YKSYXHAZNDEQSG-NXEZZACHSA-N 1 2 267.329 0.143 20 30 CCEDLO C=CCOCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616869030 365465989 /nfs/dbraw/zinc/46/59/89/365465989.db2.gz ZLWVUZVHHFOSDC-LBPRGKRZSA-N 1 2 281.356 0.799 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623990680 367717413 /nfs/dbraw/zinc/71/74/13/367717413.db2.gz JPBLLFDLDBOANK-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623990680 367717416 /nfs/dbraw/zinc/71/74/16/367717416.db2.gz JPBLLFDLDBOANK-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C#N)cn1C ZINC000330459523 202850337 /nfs/dbraw/zinc/85/03/37/202850337.db2.gz QEWIWIYHZHIMMU-UHFFFAOYSA-N 1 2 257.297 0.902 20 30 CCEDLO C=CCCC[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632183620 370910644 /nfs/dbraw/zinc/91/06/44/370910644.db2.gz ALFVCCCOSFWUSG-STQMWFEESA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCC[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632183620 370910651 /nfs/dbraw/zinc/91/06/51/370910651.db2.gz ALFVCCCOSFWUSG-STQMWFEESA-N 1 2 290.429 0.981 20 30 CCEDLO C=CC[C@@H]1CC[N@@H+](Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000628406574 369261240 /nfs/dbraw/zinc/26/12/40/369261240.db2.gz MOAGULJBBHHXBP-GFCCVEGCSA-N 1 2 298.412 0.936 20 30 CCEDLO C=CC[C@@H]1CC[N@H+](Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000628406574 369261244 /nfs/dbraw/zinc/26/12/44/369261244.db2.gz MOAGULJBBHHXBP-GFCCVEGCSA-N 1 2 298.412 0.936 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385584 371024854 /nfs/dbraw/zinc/02/48/54/371024854.db2.gz MBMHLIXKGWGWHE-CYBMUJFWSA-N 1 2 288.413 0.689 20 30 CCEDLO C[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000331793691 204167984 /nfs/dbraw/zinc/16/79/84/204167984.db2.gz VQYOMBOFWDBODV-NWDGAFQWSA-N 1 2 299.338 0.456 20 30 CCEDLO CC#CC[NH2+]Cc1cn(-c2cccc(CO)c2)nn1 ZINC000656440483 412795335 /nfs/dbraw/zinc/79/53/35/412795335.db2.gz INDACEWOLHZUCP-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO C#CCNC(=O)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000491191921 261366197 /nfs/dbraw/zinc/36/61/97/261366197.db2.gz JCVCUDGZXJZFNK-UHFFFAOYSA-N 1 2 258.325 0.751 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C)s2)nn1 ZINC000641054628 376722116 /nfs/dbraw/zinc/72/21/16/376722116.db2.gz KCHKJOAWQXGSHW-UHFFFAOYSA-N 1 2 262.342 0.599 20 30 CCEDLO C=C(C)CCn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000641069617 376737075 /nfs/dbraw/zinc/73/70/75/376737075.db2.gz LLCXTPMISCPLQW-LLVKDONJSA-N 1 2 284.385 0.521 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)nn2)nn1 ZINC000641131742 376801875 /nfs/dbraw/zinc/80/18/75/376801875.db2.gz SEKOYIXTDXJADD-UHFFFAOYSA-N 1 2 272.312 0.238 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc3n(n2)CCC3)nn1 ZINC000641177579 376849475 /nfs/dbraw/zinc/84/94/75/376849475.db2.gz KKYIUKUNZCSGBH-UHFFFAOYSA-N 1 2 270.340 0.582 20 30 CCEDLO C[C@@H](C(=O)NCc1nnc[nH]1)[NH+]1CCSCC1 ZINC000328960210 581112957 /nfs/dbraw/zinc/11/29/57/581112957.db2.gz PJXNPLUKIJAFEO-QMMMGPOBSA-N 1 2 255.347 0.699 20 30 CCEDLO C[C@@H](C(=O)NCc1nc[nH]n1)[NH+]1CCSCC1 ZINC000328960210 581112961 /nfs/dbraw/zinc/11/29/61/581112961.db2.gz PJXNPLUKIJAFEO-QMMMGPOBSA-N 1 2 255.347 0.699 20 30 CCEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](CCC#N)C2)nn1 ZINC000364006846 262093318 /nfs/dbraw/zinc/09/33/18/262093318.db2.gz VBVIMJPZSMWSGI-SNVBAGLBSA-N 1 2 263.301 0.615 20 30 CCEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCC#N)C2)nn1 ZINC000364006846 262093319 /nfs/dbraw/zinc/09/33/19/262093319.db2.gz VBVIMJPZSMWSGI-SNVBAGLBSA-N 1 2 263.301 0.615 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)o1 ZINC000288303297 197046834 /nfs/dbraw/zinc/04/68/34/197046834.db2.gz VXUBZURFZUMAOJ-LLVKDONJSA-N 1 2 293.348 0.786 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283760664 388769386 /nfs/dbraw/zinc/76/93/86/388769386.db2.gz BIOYJNKUGFVAAZ-GFCCVEGCSA-N 1 2 276.340 0.588 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000285966184 388819184 /nfs/dbraw/zinc/81/91/84/388819184.db2.gz NVRYHFDGLSYHLX-ZDUSSCGKSA-N 1 2 274.324 0.869 20 30 CCEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000285966184 388819189 /nfs/dbraw/zinc/81/91/89/388819189.db2.gz NVRYHFDGLSYHLX-ZDUSSCGKSA-N 1 2 274.324 0.869 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286483911 388840955 /nfs/dbraw/zinc/84/09/55/388840955.db2.gz QDLSMTZKHBGRKI-UHFFFAOYSA-N 1 2 277.284 0.099 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCO)CC1 ZINC000042287370 388865845 /nfs/dbraw/zinc/86/58/45/388865845.db2.gz MHEUFPYURWZVTE-AWEZNQCLSA-N 1 2 283.416 0.409 20 30 CCEDLO N#Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000047618031 388880704 /nfs/dbraw/zinc/88/07/04/388880704.db2.gz OVXPACYYSQIDOU-UHFFFAOYSA-N 1 2 288.351 0.690 20 30 CCEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000289707886 388883426 /nfs/dbraw/zinc/88/34/26/388883426.db2.gz HUIPWHWVNDJJQX-UHFFFAOYSA-N 1 2 292.364 0.422 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C(C)C)nn1 ZINC000290028255 388899546 /nfs/dbraw/zinc/89/95/46/388899546.db2.gz DSKSHYOYXXJPDJ-UHFFFAOYSA-N 1 2 272.374 0.549 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000048922107 388910583 /nfs/dbraw/zinc/91/05/83/388910583.db2.gz FJTCHMRNBHRTER-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000048922107 388910584 /nfs/dbraw/zinc/91/05/84/388910584.db2.gz FJTCHMRNBHRTER-NWDGAFQWSA-N 1 2 280.372 0.205 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000293153621 388980166 /nfs/dbraw/zinc/98/01/66/388980166.db2.gz OHCGOYSQEMPKMA-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000293153621 388980171 /nfs/dbraw/zinc/98/01/71/388980171.db2.gz OHCGOYSQEMPKMA-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000192222606 389028011 /nfs/dbraw/zinc/02/80/11/389028011.db2.gz ZIKSBCULTTZXOY-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000192222606 389028015 /nfs/dbraw/zinc/02/80/15/389028015.db2.gz ZIKSBCULTTZXOY-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000192231025 389029662 /nfs/dbraw/zinc/02/96/62/389029662.db2.gz DRVGFHJFSHRLDE-UHFFFAOYSA-N 1 2 259.353 0.934 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000192231025 389029664 /nfs/dbraw/zinc/02/96/64/389029664.db2.gz DRVGFHJFSHRLDE-UHFFFAOYSA-N 1 2 259.353 0.934 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCOC[C@H](O)C2)ccc1F ZINC000295410117 389007399 /nfs/dbraw/zinc/00/73/99/389007399.db2.gz BXQFUZSUNHBFHO-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1F ZINC000295410117 389007400 /nfs/dbraw/zinc/00/74/00/389007400.db2.gz BXQFUZSUNHBFHO-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000354279190 389019173 /nfs/dbraw/zinc/01/91/73/389019173.db2.gz MUIHUWGEGQKICA-GOEBONIOSA-N 1 2 295.427 0.552 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355249282 389047199 /nfs/dbraw/zinc/04/71/99/389047199.db2.gz UKTQQTVECJGZLE-ZDUSSCGKSA-N 1 2 265.357 0.907 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCC)C1=O ZINC000337236187 389057160 /nfs/dbraw/zinc/05/71/60/389057160.db2.gz XWZOUZLGTGCXEZ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCC)C1=O ZINC000337236187 389057162 /nfs/dbraw/zinc/05/71/62/389057162.db2.gz XWZOUZLGTGCXEZ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000304959633 389083967 /nfs/dbraw/zinc/08/39/67/389083967.db2.gz LGLLFEZSRGWMCB-ZDUSSCGKSA-N 1 2 259.309 0.218 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000304959633 389083968 /nfs/dbraw/zinc/08/39/68/389083968.db2.gz LGLLFEZSRGWMCB-ZDUSSCGKSA-N 1 2 259.309 0.218 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000104676393 389084034 /nfs/dbraw/zinc/08/40/34/389084034.db2.gz CMOAXMMOZJVYKO-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000104676393 389084036 /nfs/dbraw/zinc/08/40/36/389084036.db2.gz CMOAXMMOZJVYKO-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCN(CCOC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338202805 389090270 /nfs/dbraw/zinc/09/02/70/389090270.db2.gz FLGXMWZZNHIHKN-UHFFFAOYSA-N 1 2 270.373 0.758 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439955 389039136 /nfs/dbraw/zinc/03/91/36/389039136.db2.gz VLZWFNZGHOFVMD-GHMZBOCLSA-N 1 2 257.359 0.398 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439955 389039139 /nfs/dbraw/zinc/03/91/39/389039139.db2.gz VLZWFNZGHOFVMD-GHMZBOCLSA-N 1 2 257.359 0.398 20 30 CCEDLO CN1CCOC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328896818 389144077 /nfs/dbraw/zinc/14/40/77/389144077.db2.gz CFHSFFDTTSBUOM-LBPRGKRZSA-N 1 2 285.388 0.384 20 30 CCEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)NCC#N)cc1 ZINC000108852611 389099354 /nfs/dbraw/zinc/09/93/54/389099354.db2.gz IJZGGCKMRPLBRF-UHFFFAOYSA-N 1 2 275.308 0.545 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)NCC#N)cc1 ZINC000108852611 389099356 /nfs/dbraw/zinc/09/93/56/389099356.db2.gz IJZGGCKMRPLBRF-UHFFFAOYSA-N 1 2 275.308 0.545 20 30 CCEDLO C=CC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000111257028 389104272 /nfs/dbraw/zinc/10/42/72/389104272.db2.gz QJHHAONBZHHZSI-UHFFFAOYSA-N 1 2 262.361 0.918 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000194860599 389107266 /nfs/dbraw/zinc/10/72/66/389107266.db2.gz NHQBLZZURPKZOS-LBPRGKRZSA-N 1 2 281.356 0.289 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000194860599 389107267 /nfs/dbraw/zinc/10/72/67/389107267.db2.gz NHQBLZZURPKZOS-LBPRGKRZSA-N 1 2 281.356 0.289 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCOCCC#N ZINC000339078356 389123827 /nfs/dbraw/zinc/12/38/27/389123827.db2.gz UNZHCBXWRQFDPZ-NWDGAFQWSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCOCCC#N ZINC000339078356 389123830 /nfs/dbraw/zinc/12/38/30/389123830.db2.gz UNZHCBXWRQFDPZ-NWDGAFQWSA-N 1 2 270.329 0.569 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)[N@H+]1C ZINC000339065219 389124075 /nfs/dbraw/zinc/12/40/75/389124075.db2.gz CTNBPSOSXJGSSN-PHIMTYICSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)[N@@H+]1C ZINC000339065219 389124079 /nfs/dbraw/zinc/12/40/79/389124079.db2.gz CTNBPSOSXJGSSN-PHIMTYICSA-N 1 2 274.390 0.101 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000339770043 389139177 /nfs/dbraw/zinc/13/91/77/389139177.db2.gz BJCAQOPPOUUWBU-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000339770043 389139178 /nfs/dbraw/zinc/13/91/78/389139178.db2.gz BJCAQOPPOUUWBU-ZDUSSCGKSA-N 1 2 284.404 0.124 20 30 CCEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000121638135 389149978 /nfs/dbraw/zinc/14/99/78/389149978.db2.gz ISPNOPXUGHZZGY-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000121638135 389149982 /nfs/dbraw/zinc/14/99/82/389149982.db2.gz ISPNOPXUGHZZGY-NWDGAFQWSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361019717 389206741 /nfs/dbraw/zinc/20/67/41/389206741.db2.gz BWFAUGQCRYBXGE-NSHDSACASA-N 1 2 291.355 0.396 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCn2c[nH+]cc2C1 ZINC000329671077 389185486 /nfs/dbraw/zinc/18/54/86/389185486.db2.gz RYRIIUFNTWBFSH-LLVKDONJSA-N 1 2 286.339 0.893 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCn2ccnc2C1 ZINC000329696459 389189225 /nfs/dbraw/zinc/18/92/25/389189225.db2.gz BUTOZERXGMBOLW-JTQLQIEISA-N 1 2 286.339 0.893 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCOC1 ZINC000329742578 389195279 /nfs/dbraw/zinc/19/52/79/389195279.db2.gz PNECWYWVTQYYQU-CHWSQXEVSA-N 1 2 285.388 0.732 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCOCC3(CC3)C2)C1 ZINC000329332013 389157713 /nfs/dbraw/zinc/15/77/13/389157713.db2.gz MSRCSQSEMQNTML-GFCCVEGCSA-N 1 2 283.372 0.343 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCOCC3(CC3)C2)C1 ZINC000329332013 389157717 /nfs/dbraw/zinc/15/77/17/389157717.db2.gz MSRCSQSEMQNTML-GFCCVEGCSA-N 1 2 283.372 0.343 20 30 CCEDLO COCC1(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCC1 ZINC000329420319 389163213 /nfs/dbraw/zinc/16/32/13/389163213.db2.gz GVLQFSMNLDLZSM-GFCCVEGCSA-N 1 2 284.404 0.305 20 30 CCEDLO COCC1(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCC1 ZINC000329420319 389163214 /nfs/dbraw/zinc/16/32/14/389163214.db2.gz GVLQFSMNLDLZSM-GFCCVEGCSA-N 1 2 284.404 0.305 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCSC2)C1 ZINC000329453283 389164907 /nfs/dbraw/zinc/16/49/07/389164907.db2.gz PHPOQZBGLNUKBZ-NWDGAFQWSA-N 1 2 287.429 0.964 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCSC2)C1 ZINC000329453283 389164910 /nfs/dbraw/zinc/16/49/10/389164910.db2.gz PHPOQZBGLNUKBZ-NWDGAFQWSA-N 1 2 287.429 0.964 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000236131217 389167904 /nfs/dbraw/zinc/16/79/04/389167904.db2.gz LVQJKPGQZQUWJJ-GFCCVEGCSA-N 1 2 287.323 0.216 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC[C@H]2CCCCO2)C1 ZINC000329513082 389168151 /nfs/dbraw/zinc/16/81/51/389168151.db2.gz NRPKWTKRFGSCSN-ZIAGYGMSSA-N 1 2 298.431 0.695 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[C@H]2CCCCO2)C1 ZINC000329513082 389168154 /nfs/dbraw/zinc/16/81/54/389168154.db2.gz NRPKWTKRFGSCSN-ZIAGYGMSSA-N 1 2 298.431 0.695 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H]2COCCO2)cc[nH+]1 ZINC000330582239 389243163 /nfs/dbraw/zinc/24/31/63/389243163.db2.gz LLHUUCMMTGVALP-NSHDSACASA-N 1 2 251.286 0.553 20 30 CCEDLO Cc1nnc(CNC(=O)Nc2cc[nH+]cc2C)n1C ZINC000330593989 389244970 /nfs/dbraw/zinc/24/49/70/389244970.db2.gz SVOKHUCGTMNKPP-UHFFFAOYSA-N 1 2 260.301 0.775 20 30 CCEDLO C[C@H]1CCCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)C1 ZINC000330625315 389248432 /nfs/dbraw/zinc/24/84/32/389248432.db2.gz SWOJVVTYOOJWRU-LBPRGKRZSA-N 1 2 284.404 0.652 20 30 CCEDLO C[C@H]1CCCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)C1 ZINC000330625315 389248435 /nfs/dbraw/zinc/24/84/35/389248435.db2.gz SWOJVVTYOOJWRU-LBPRGKRZSA-N 1 2 284.404 0.652 20 30 CCEDLO COc1cc(C[N@H+](C)CC(=O)NCC#N)cc(OC)c1 ZINC000343041918 389256396 /nfs/dbraw/zinc/25/63/96/389256396.db2.gz IVXBRSVVKWFAKG-UHFFFAOYSA-N 1 2 277.324 0.775 20 30 CCEDLO COc1cc(C[N@@H+](C)CC(=O)NCC#N)cc(OC)c1 ZINC000343041918 389256398 /nfs/dbraw/zinc/25/63/98/389256398.db2.gz IVXBRSVVKWFAKG-UHFFFAOYSA-N 1 2 277.324 0.775 20 30 CCEDLO C[N@H+](CC(C)(CO)CO)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000135877737 389262795 /nfs/dbraw/zinc/26/27/95/389262795.db2.gz CVBNCHHCUSAKBI-CYBMUJFWSA-N 1 2 291.351 0.007 20 30 CCEDLO C[N@@H+](CC(C)(CO)CO)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000135877737 389262797 /nfs/dbraw/zinc/26/27/97/389262797.db2.gz CVBNCHHCUSAKBI-CYBMUJFWSA-N 1 2 291.351 0.007 20 30 CCEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1cccs1 ZINC000136071991 389264053 /nfs/dbraw/zinc/26/40/53/389264053.db2.gz YVNMBXVWEVMYCA-QMMMGPOBSA-N 1 2 271.342 0.597 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000329892541 389209826 /nfs/dbraw/zinc/20/98/26/389209826.db2.gz ACBKJSSWZDNDGP-ZDEQEGDKSA-N 1 2 297.399 0.729 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000329892541 389209827 /nfs/dbraw/zinc/20/98/27/389209827.db2.gz ACBKJSSWZDNDGP-ZDEQEGDKSA-N 1 2 297.399 0.729 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361434551 389215775 /nfs/dbraw/zinc/21/57/75/389215775.db2.gz NZWQJDIGIZGQEM-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cnccc1C ZINC000361434551 389215779 /nfs/dbraw/zinc/21/57/79/389215779.db2.gz NZWQJDIGIZGQEM-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO CC#CCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000361642639 389221905 /nfs/dbraw/zinc/22/19/05/389221905.db2.gz JUWLDLWZWMDALH-HNNXBMFYSA-N 1 2 292.427 0.821 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330403572 389225159 /nfs/dbraw/zinc/22/51/59/389225159.db2.gz GUKDZLJNRJINOZ-ZDUSSCGKSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330403572 389225161 /nfs/dbraw/zinc/22/51/61/389225161.db2.gz GUKDZLJNRJINOZ-ZDUSSCGKSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330426048 389228398 /nfs/dbraw/zinc/22/83/98/389228398.db2.gz SHIFMVURQFIYFF-ZDUSSCGKSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330426048 389228399 /nfs/dbraw/zinc/22/83/99/389228399.db2.gz SHIFMVURQFIYFF-ZDUSSCGKSA-N 1 2 299.415 0.980 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246514303 389229487 /nfs/dbraw/zinc/22/94/87/389229487.db2.gz OXRLIUCKFMRLKE-JHJVBQTASA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246514303 389229490 /nfs/dbraw/zinc/22/94/90/389229490.db2.gz OXRLIUCKFMRLKE-JHJVBQTASA-N 1 2 295.383 0.150 20 30 CCEDLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H](CO)C1 ZINC000330442465 389229990 /nfs/dbraw/zinc/22/99/90/389229990.db2.gz FHLTZISOWXNVTG-GFCCVEGCSA-N 1 2 266.345 0.892 20 30 CCEDLO [O-]C(=[NH+]CCCn1cc[nH+]c1)N1CCC[C@@H](CO)C1 ZINC000330442465 389229994 /nfs/dbraw/zinc/22/99/94/389229994.db2.gz FHLTZISOWXNVTG-GFCCVEGCSA-N 1 2 266.345 0.892 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC000330445570 389230042 /nfs/dbraw/zinc/23/00/42/389230042.db2.gz VLNIXRWRJYSCNT-SECBINFHSA-N 1 2 265.317 0.193 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC000330445570 389230046 /nfs/dbraw/zinc/23/00/46/389230046.db2.gz VLNIXRWRJYSCNT-SECBINFHSA-N 1 2 265.317 0.193 20 30 CCEDLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cccnc1 ZINC000330445743 389230218 /nfs/dbraw/zinc/23/02/18/389230218.db2.gz HHSYAGFDRJGLKS-LBPRGKRZSA-N 1 2 265.313 0.079 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330461178 389232490 /nfs/dbraw/zinc/23/24/90/389232490.db2.gz LHFJUWRIHBIQBZ-STQMWFEESA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330461178 389232495 /nfs/dbraw/zinc/23/24/95/389232495.db2.gz LHFJUWRIHBIQBZ-STQMWFEESA-N 1 2 277.299 0.573 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000154951529 389315550 /nfs/dbraw/zinc/31/55/50/389315550.db2.gz OCDXAVHHNGUEOF-NWDGAFQWSA-N 1 2 255.362 0.923 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000343808400 389272914 /nfs/dbraw/zinc/27/29/14/389272914.db2.gz ABPKIWWRFIRUJO-CYBMUJFWSA-N 1 2 297.399 0.153 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346867756 389340693 /nfs/dbraw/zinc/34/06/93/389340693.db2.gz HSACALSEPNBEAT-NSHDSACASA-N 1 2 278.356 0.149 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346867756 389340695 /nfs/dbraw/zinc/34/06/95/389340695.db2.gz HSACALSEPNBEAT-NSHDSACASA-N 1 2 278.356 0.149 20 30 CCEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408384548 389345067 /nfs/dbraw/zinc/34/50/67/389345067.db2.gz ZTEOTNIOUSITIN-WCQYABFASA-N 1 2 290.367 0.101 20 30 CCEDLO CC#CCN1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000158692349 389349816 /nfs/dbraw/zinc/34/98/16/389349816.db2.gz OAYHATDCGYCXBS-UHFFFAOYSA-N 1 2 251.374 0.496 20 30 CCEDLO CC#CC[NH+]1CCN(CC(=O)N(CC)CC)CC1 ZINC000158692349 389349819 /nfs/dbraw/zinc/34/98/19/389349819.db2.gz OAYHATDCGYCXBS-UHFFFAOYSA-N 1 2 251.374 0.496 20 30 CCEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)OCC)C1CC1 ZINC000274185353 389495271 /nfs/dbraw/zinc/49/52/71/389495271.db2.gz PJTZGJBQXPTMOT-UHFFFAOYSA-N 1 2 252.314 0.106 20 30 CCEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)OCC)C1CC1 ZINC000274185353 389495274 /nfs/dbraw/zinc/49/52/74/389495274.db2.gz PJTZGJBQXPTMOT-UHFFFAOYSA-N 1 2 252.314 0.106 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063390 389541724 /nfs/dbraw/zinc/54/17/24/389541724.db2.gz BMUJCJXCUXQSLE-MXWKQRLJSA-N 1 2 267.329 0.250 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063390 389541729 /nfs/dbraw/zinc/54/17/29/389541729.db2.gz BMUJCJXCUXQSLE-MXWKQRLJSA-N 1 2 267.329 0.250 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C(N)=O)C1=O ZINC000374154999 389552781 /nfs/dbraw/zinc/55/27/81/389552781.db2.gz ATTRQXWVYQNPIQ-CABCVRRESA-N 1 2 299.374 0.686 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)C1=O ZINC000374154999 389552785 /nfs/dbraw/zinc/55/27/85/389552785.db2.gz ATTRQXWVYQNPIQ-CABCVRRESA-N 1 2 299.374 0.686 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3cnccn23)C1=O ZINC000281371097 389614209 /nfs/dbraw/zinc/61/42/09/389614209.db2.gz VOJBYMOCZREWIG-ZDUSSCGKSA-N 1 2 285.351 0.948 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3cnccn23)C1=O ZINC000281371097 389614215 /nfs/dbraw/zinc/61/42/15/389614215.db2.gz VOJBYMOCZREWIG-ZDUSSCGKSA-N 1 2 285.351 0.948 20 30 CCEDLO C[C@H](CCC#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000351614954 389634845 /nfs/dbraw/zinc/63/48/45/389634845.db2.gz JLXTZTJPIUNTOL-CQSZACIVSA-N 1 2 278.400 0.919 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(C)=O)C[C@@H]2C)C1=O ZINC000281959896 389639888 /nfs/dbraw/zinc/63/98/88/389639888.db2.gz KIBZRWJMKSGVNN-WCQYABFASA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(C)=O)C[C@@H]2C)C1=O ZINC000281959896 389639889 /nfs/dbraw/zinc/63/98/89/389639889.db2.gz KIBZRWJMKSGVNN-WCQYABFASA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCn1cc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)nn1 ZINC000425263209 389644022 /nfs/dbraw/zinc/64/40/22/389644022.db2.gz KFAOJDPGAOZDKT-SNVBAGLBSA-N 1 2 289.343 0.081 20 30 CCEDLO C=CCn1cc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)nn1 ZINC000425263209 389644030 /nfs/dbraw/zinc/64/40/30/389644030.db2.gz KFAOJDPGAOZDKT-SNVBAGLBSA-N 1 2 289.343 0.081 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374458203 389581697 /nfs/dbraw/zinc/58/16/97/389581697.db2.gz YPQRXPFUKPGOBQ-MNOVXSKESA-N 1 2 297.384 0.883 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000182487319 389710095 /nfs/dbraw/zinc/71/00/95/389710095.db2.gz QNLHVUKDELNXNF-OAHLLOKOSA-N 1 2 288.347 0.645 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000182487319 389710099 /nfs/dbraw/zinc/71/00/99/389710099.db2.gz QNLHVUKDELNXNF-OAHLLOKOSA-N 1 2 288.347 0.645 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352372630 389799670 /nfs/dbraw/zinc/79/96/70/389799670.db2.gz UVTXMUAOXYTVAK-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352372630 389799674 /nfs/dbraw/zinc/79/96/74/389799674.db2.gz UVTXMUAOXYTVAK-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000352096532 389751153 /nfs/dbraw/zinc/75/11/53/389751153.db2.gz HIYFHEOJZOVFSC-GFCCVEGCSA-N 1 2 291.326 0.687 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000352096532 389751154 /nfs/dbraw/zinc/75/11/54/389751154.db2.gz HIYFHEOJZOVFSC-GFCCVEGCSA-N 1 2 291.326 0.687 20 30 CCEDLO COCCCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484135 389818302 /nfs/dbraw/zinc/81/83/02/389818302.db2.gz LXNXOQGFBGDUOX-NSHDSACASA-N 1 2 271.336 0.855 20 30 CCEDLO CN(C)c1[nH+]cc(CNC(=O)c2ccc(C#N)c(O)c2)n1C ZINC000442641357 389851833 /nfs/dbraw/zinc/85/18/33/389851833.db2.gz ALQAZDAOJWRBAJ-UHFFFAOYSA-N 1 2 299.334 0.993 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)nn2C)C1=O ZINC000418046335 389867714 /nfs/dbraw/zinc/86/77/14/389867714.db2.gz PBFOMAIKQXBAQE-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)nn2C)C1=O ZINC000418046335 389867717 /nfs/dbraw/zinc/86/77/17/389867717.db2.gz PBFOMAIKQXBAQE-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433959342 389921256 /nfs/dbraw/zinc/92/12/56/389921256.db2.gz UDBGDEJXRUPSLS-UHFFFAOYSA-N 1 2 253.346 0.679 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000440396039 390036329 /nfs/dbraw/zinc/03/63/29/390036329.db2.gz FOPMYYRBTLELID-NEPJUHHUSA-N 1 2 284.385 0.444 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000440396039 390036330 /nfs/dbraw/zinc/03/63/30/390036330.db2.gz FOPMYYRBTLELID-NEPJUHHUSA-N 1 2 284.385 0.444 20 30 CCEDLO Cc1c(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000493159489 390119924 /nfs/dbraw/zinc/11/99/24/390119924.db2.gz PVWKCCOCBQSOMG-LMVHVUTASA-N 1 2 275.356 0.702 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(C#N)c2)CC1 ZINC000491119863 390109876 /nfs/dbraw/zinc/10/98/76/390109876.db2.gz JWXFSQAQVOKEHH-UHFFFAOYSA-N 1 2 256.309 0.137 20 30 CCEDLO C#CCNC(=O)CC[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000491382647 390112731 /nfs/dbraw/zinc/11/27/31/390112731.db2.gz JGKCBXIJOHRRCB-UHFFFAOYSA-N 1 2 283.335 0.496 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CN(C)C ZINC000493829610 390128319 /nfs/dbraw/zinc/12/83/19/390128319.db2.gz XJTPBCSERMPCRM-UZYOAWRESA-N 1 2 275.356 0.876 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000537508744 390177499 /nfs/dbraw/zinc/17/74/99/390177499.db2.gz AHSCYTHXFDATNA-GFCCVEGCSA-N 1 2 266.345 0.900 20 30 CCEDLO Cc1cc(NC(=O)C[NH+]2CCC(CC#N)CC2)no1 ZINC000542878731 390274964 /nfs/dbraw/zinc/27/49/64/390274964.db2.gz JWXUQNLCYZTBLW-UHFFFAOYSA-N 1 2 262.313 0.969 20 30 CCEDLO COCCCn1nccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522011 390363447 /nfs/dbraw/zinc/36/34/47/390363447.db2.gz GPFJFUSYCZJULT-CQSZACIVSA-N 1 2 278.356 0.770 20 30 CCEDLO COCCCn1nccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522011 390363449 /nfs/dbraw/zinc/36/34/49/390363449.db2.gz GPFJFUSYCZJULT-CQSZACIVSA-N 1 2 278.356 0.770 20 30 CCEDLO C=CCn1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000648219248 390344317 /nfs/dbraw/zinc/34/43/17/390344317.db2.gz RXVRUHJHTJQVEQ-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000597122320 390371065 /nfs/dbraw/zinc/37/10/65/390371065.db2.gz XQFIVABBUTWJAQ-UHFFFAOYSA-N 1 2 299.374 0.878 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000548085155 390416740 /nfs/dbraw/zinc/41/67/40/390416740.db2.gz SGYCSXMKLHAGME-VHSXEESVSA-N 1 2 260.297 0.581 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000562543139 390490016 /nfs/dbraw/zinc/49/00/16/390490016.db2.gz LWCNUXUJGCYOSV-OLZOCXBDSA-N 1 2 295.383 0.411 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000562543139 390490018 /nfs/dbraw/zinc/49/00/18/390490018.db2.gz LWCNUXUJGCYOSV-OLZOCXBDSA-N 1 2 295.383 0.411 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000564112186 390494876 /nfs/dbraw/zinc/49/48/76/390494876.db2.gz DXSOXCABPLQOTK-JQWIXIFHSA-N 1 2 260.297 0.196 20 30 CCEDLO Cc1cc(=NC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]n1CCC#N ZINC000565190993 390500850 /nfs/dbraw/zinc/50/08/50/390500850.db2.gz NDEZYDLZNYKWCF-LLVKDONJSA-N 1 2 275.356 0.807 20 30 CCEDLO Cc1cc(=NC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]n1CCC#N ZINC000565190993 390500856 /nfs/dbraw/zinc/50/08/56/390500856.db2.gz NDEZYDLZNYKWCF-LLVKDONJSA-N 1 2 275.356 0.807 20 30 CCEDLO C=CCOC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000568047656 390712444 /nfs/dbraw/zinc/71/24/44/390712444.db2.gz RRBJBFPOEXUPHB-VXGBXAGGSA-N 1 2 295.339 0.695 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C#N)nc1 ZINC000527985883 390726893 /nfs/dbraw/zinc/72/68/93/390726893.db2.gz NNIXRISTBMTJNM-NSHDSACASA-N 1 2 269.308 0.897 20 30 CCEDLO Cc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)o1 ZINC000567171186 390678103 /nfs/dbraw/zinc/67/81/03/390678103.db2.gz YTKYCGPVTJLTDW-LBPRGKRZSA-N 1 2 250.302 0.865 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000646604791 390699612 /nfs/dbraw/zinc/69/96/12/390699612.db2.gz KJIODGBGTMNQBG-ZDUSSCGKSA-N 1 2 261.325 0.273 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000575044227 390831293 /nfs/dbraw/zinc/83/12/93/390831293.db2.gz PAFSBJQGNLACIX-UHFFFAOYSA-N 1 2 287.323 0.056 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC[S@@]1=O ZINC000575046834 390832139 /nfs/dbraw/zinc/83/21/39/390832139.db2.gz JHTPPHHSSMYTNR-NLQQUQSOSA-N 1 2 293.396 0.249 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC[S@@]1=O ZINC000575046834 390832145 /nfs/dbraw/zinc/83/21/45/390832145.db2.gz JHTPPHHSSMYTNR-NLQQUQSOSA-N 1 2 293.396 0.249 20 30 CCEDLO Cc1c(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000578632161 390895511 /nfs/dbraw/zinc/89/55/11/390895511.db2.gz MLQHIXXBPBUHMO-AWEZNQCLSA-N 1 2 277.372 0.621 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000298073779 134758992 /nfs/dbraw/zinc/75/89/92/134758992.db2.gz AIAUUQQANBGVDT-CYBMUJFWSA-N 1 2 287.363 0.652 20 30 CCEDLO Cn1c[nH+]cc1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000357597813 144103202 /nfs/dbraw/zinc/10/32/02/144103202.db2.gz QGXOILCFTHJNOT-UHFFFAOYSA-N 1 2 258.241 0.629 20 30 CCEDLO C[C@@H](NC(=O)c1cnccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000358761988 144178292 /nfs/dbraw/zinc/17/82/92/144178292.db2.gz UIXXDIAWDSKJHG-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368680391 144239492 /nfs/dbraw/zinc/23/94/92/144239492.db2.gz MEMPLXONYFUERE-ZDUSSCGKSA-N 1 2 279.365 0.811 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368680391 144239494 /nfs/dbraw/zinc/23/94/94/144239494.db2.gz MEMPLXONYFUERE-ZDUSSCGKSA-N 1 2 279.365 0.811 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000029436273 171598441 /nfs/dbraw/zinc/59/84/41/171598441.db2.gz NRGMPNAKTOVGJS-UHFFFAOYSA-N 1 2 283.331 0.491 20 30 CCEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC#CCO)C2 ZINC000655057255 412469944 /nfs/dbraw/zinc/46/99/44/412469944.db2.gz ABONYQVOQLDUEK-NSHDSACASA-N 1 2 275.352 0.750 20 30 CCEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC#CCO)CC2 ZINC000655057255 412469945 /nfs/dbraw/zinc/46/99/45/412469945.db2.gz ABONYQVOQLDUEK-NSHDSACASA-N 1 2 275.352 0.750 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000660849007 414507038 /nfs/dbraw/zinc/50/70/38/414507038.db2.gz NCYCYWQVXXSKNJ-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000660849007 414507042 /nfs/dbraw/zinc/50/70/42/414507042.db2.gz NCYCYWQVXXSKNJ-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660954500 414537247 /nfs/dbraw/zinc/53/72/47/414537247.db2.gz PCGRETKSCISZGK-CQSZACIVSA-N 1 2 297.399 0.695 20 30 CCEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661885370 414682485 /nfs/dbraw/zinc/68/24/85/414682485.db2.gz XHRPEUOXUBMMAE-QNWHQSFQSA-N 1 2 271.382 0.532 20 30 CCEDLO CCC#C[C@H](C)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661885370 414682487 /nfs/dbraw/zinc/68/24/87/414682487.db2.gz XHRPEUOXUBMMAE-QNWHQSFQSA-N 1 2 271.382 0.532 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662094675 414690880 /nfs/dbraw/zinc/69/08/80/414690880.db2.gz NKHSJYSWJPJRGP-UWVGGRQHSA-N 1 2 252.318 0.717 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664621592 415438024 /nfs/dbraw/zinc/43/80/24/415438024.db2.gz QQKQFGCNDQEVIC-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664621592 415438028 /nfs/dbraw/zinc/43/80/28/415438028.db2.gz QQKQFGCNDQEVIC-STQMWFEESA-N 1 2 285.388 0.597 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000665473720 416439302 /nfs/dbraw/zinc/43/93/02/416439302.db2.gz KKNWECJOLMTBGZ-GFCCVEGCSA-N 1 2 278.356 0.849 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665562184 416456492 /nfs/dbraw/zinc/45/64/92/416456492.db2.gz KMMACDHUGXJJBI-GFCCVEGCSA-N 1 2 266.366 0.939 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960398341 649853906 /nfs/dbraw/zinc/85/39/06/649853906.db2.gz URAFQBMGOOSLRM-YFVNTRNASA-N 1 2 271.324 0.083 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960398341 649853908 /nfs/dbraw/zinc/85/39/08/649853908.db2.gz URAFQBMGOOSLRM-YFVNTRNASA-N 1 2 271.324 0.083 20 30 CCEDLO C[C@H]1C(=O)NCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000407957903 260062975 /nfs/dbraw/zinc/06/29/75/260062975.db2.gz OPTRKANWVYEMBG-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@H]1C(=O)NCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000407957903 260062976 /nfs/dbraw/zinc/06/29/76/260062976.db2.gz OPTRKANWVYEMBG-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC(C)N(C[C@H](C)O)C(=O)NCC[NH+]1CCOCC1 ZINC000331004254 260111957 /nfs/dbraw/zinc/11/19/57/260111957.db2.gz WAHVJZGEMHZTLW-LBPRGKRZSA-N 1 2 273.377 0.324 20 30 CCEDLO Oc1cccc(/C=N/CC[NH+]2CCOCC2)c1O ZINC000022727095 260123865 /nfs/dbraw/zinc/12/38/65/260123865.db2.gz GQONQSLDHSBBOL-GXDHUFHOSA-N 1 2 250.298 0.849 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000297708860 260132715 /nfs/dbraw/zinc/13/27/15/260132715.db2.gz AVJROGYTWOFKSL-GFCCVEGCSA-N 1 2 267.373 0.363 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)NCCC ZINC000297708860 260132717 /nfs/dbraw/zinc/13/27/17/260132717.db2.gz AVJROGYTWOFKSL-GFCCVEGCSA-N 1 2 267.373 0.363 20 30 CCEDLO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993102 260155785 /nfs/dbraw/zinc/15/57/85/260155785.db2.gz LDDFHGVALIAXMI-QJPTWQEYSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1S(C)(=O)=O ZINC000407993102 260155787 /nfs/dbraw/zinc/15/57/87/260155787.db2.gz LDDFHGVALIAXMI-QJPTWQEYSA-N 1 2 271.386 0.644 20 30 CCEDLO CC[C@@H](C(=O)N1CCOC[C@H]1C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000407995100 260158564 /nfs/dbraw/zinc/15/85/64/260158564.db2.gz GBKSVFIWFFBPTK-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@@H](C(=O)N1CCOC[C@H]1C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000407995100 260158565 /nfs/dbraw/zinc/15/85/65/260158565.db2.gz GBKSVFIWFFBPTK-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO C#CCN(Cc1cc(OC)cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000490866778 261230717 /nfs/dbraw/zinc/23/07/17/261230717.db2.gz UPXBSWOGUCBHSA-CYBMUJFWSA-N 1 2 294.376 0.713 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)N2CC[C@H](COC)C2)CC1 ZINC000491100028 261327350 /nfs/dbraw/zinc/32/73/50/261327350.db2.gz FBRXMOFIFXVLNW-ZDUSSCGKSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(C)cn2)CC1 ZINC000340052315 263063176 /nfs/dbraw/zinc/06/31/76/263063176.db2.gz MQWCZCNHNUAMQK-UHFFFAOYSA-N 1 2 275.356 0.209 20 30 CCEDLO C=CCN1CC[C@@H](O[NH+]=C(N)[C@H]2CCCO2)C1=O ZINC000289324506 263109048 /nfs/dbraw/zinc/10/90/48/263109048.db2.gz CSYVCBFKUCZIIZ-NXEZZACHSA-N 1 2 253.302 0.241 20 30 CCEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cnn(C)n1 ZINC000289401832 263109918 /nfs/dbraw/zinc/10/99/18/263109918.db2.gz OCWNYRKXILOKBO-VIFPVBQESA-N 1 2 255.322 0.665 20 30 CCEDLO C=CCCS(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000120402542 263284205 /nfs/dbraw/zinc/28/42/05/263284205.db2.gz WYOKYPGHZCNYSK-UHFFFAOYSA-N 1 2 298.412 0.444 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120847851 263286684 /nfs/dbraw/zinc/28/66/84/263286684.db2.gz LUHIBGXKUDVHQZ-AOOOYVTPSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120847851 263286685 /nfs/dbraw/zinc/28/66/85/263286685.db2.gz LUHIBGXKUDVHQZ-AOOOYVTPSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C[C@H]1C[C@H]1C ZINC000341104407 263322500 /nfs/dbraw/zinc/32/25/00/263322500.db2.gz UARWDBVFZWPWSX-CHWSQXEVSA-N 1 2 279.384 0.549 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000341987709 263381094 /nfs/dbraw/zinc/38/10/94/263381094.db2.gz HQGMKBPFJHMFES-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000341988630 263381115 /nfs/dbraw/zinc/38/11/15/263381115.db2.gz JIDWQVNJIIELPD-UHFFFAOYSA-N 1 2 288.351 0.694 20 30 CCEDLO C[C@H](O)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330795125 264040121 /nfs/dbraw/zinc/04/01/21/264040121.db2.gz WPHJSISUDYFOBC-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@H](O)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330795125 264040119 /nfs/dbraw/zinc/04/01/19/264040119.db2.gz WPHJSISUDYFOBC-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@H](C[S@@](C)=O)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330860640 264055656 /nfs/dbraw/zinc/05/56/56/264055656.db2.gz WGWIOOJIWJRKOX-CFMSYZGJSA-N 1 2 298.412 0.990 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330912814 264076205 /nfs/dbraw/zinc/07/62/05/264076205.db2.gz HZPUIELNTNQQHT-LBPRGKRZSA-N 1 2 289.401 0.130 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000330936264 264081006 /nfs/dbraw/zinc/08/10/06/264081006.db2.gz RFHMZVJSAMNQDV-GHMZBOCLSA-N 1 2 266.345 0.975 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000330946448 264084891 /nfs/dbraw/zinc/08/48/91/264084891.db2.gz LANMCBPNOLBPSJ-NSHDSACASA-N 1 2 291.417 0.407 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000330946448 264084892 /nfs/dbraw/zinc/08/48/92/264084892.db2.gz LANMCBPNOLBPSJ-NSHDSACASA-N 1 2 291.417 0.407 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000330957267 264087929 /nfs/dbraw/zinc/08/79/29/264087929.db2.gz VRKYJHNUGAILQT-NSHDSACASA-N 1 2 284.404 0.747 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000330957267 264087932 /nfs/dbraw/zinc/08/79/32/264087932.db2.gz VRKYJHNUGAILQT-NSHDSACASA-N 1 2 284.404 0.747 20 30 CCEDLO COC[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CCO1 ZINC000330933801 264097313 /nfs/dbraw/zinc/09/73/13/264097313.db2.gz FOXUAFIKEDXERO-SNVBAGLBSA-N 1 2 268.317 0.181 20 30 CCEDLO N#CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331170205 264145952 /nfs/dbraw/zinc/14/59/52/264145952.db2.gz VBIINWLOXVGMPR-UHFFFAOYSA-N 1 2 293.371 0.054 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000253373212 264332409 /nfs/dbraw/zinc/33/24/09/264332409.db2.gz ICDRUNNYHCTDET-CYBMUJFWSA-N 1 2 291.351 0.662 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000253373212 264332411 /nfs/dbraw/zinc/33/24/11/264332411.db2.gz ICDRUNNYHCTDET-CYBMUJFWSA-N 1 2 291.351 0.662 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077368003 264351545 /nfs/dbraw/zinc/35/15/45/264351545.db2.gz NNDMZAMBQRYCPR-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000132020093 264378843 /nfs/dbraw/zinc/37/88/43/264378843.db2.gz UCRFRPMOESXSGH-VXGBXAGGSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000132020093 264378846 /nfs/dbraw/zinc/37/88/46/264378846.db2.gz UCRFRPMOESXSGH-VXGBXAGGSA-N 1 2 266.345 0.814 20 30 CCEDLO CC(C)N1CC[N@H+](CCC(=O)N(C)CCC#N)CC1=O ZINC000356369566 266104188 /nfs/dbraw/zinc/10/41/88/266104188.db2.gz NJBLFSISKYZWAY-UHFFFAOYSA-N 1 2 280.372 0.301 20 30 CCEDLO CC(C)N1CC[N@@H+](CCC(=O)N(C)CCC#N)CC1=O ZINC000356369566 266104189 /nfs/dbraw/zinc/10/41/89/266104189.db2.gz NJBLFSISKYZWAY-UHFFFAOYSA-N 1 2 280.372 0.301 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356761389 266169578 /nfs/dbraw/zinc/16/95/78/266169578.db2.gz DSTNYVRORFGENO-STQMWFEESA-N 1 2 268.357 0.511 20 30 CCEDLO COCC1(C#N)CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000357095326 266247468 /nfs/dbraw/zinc/24/74/68/266247468.db2.gz SYDQQLROMKSQKZ-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362594107 267015831 /nfs/dbraw/zinc/01/58/31/267015831.db2.gz RCTLXHLBVIKXEE-SNVBAGLBSA-N 1 2 255.362 0.524 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362594107 267015833 /nfs/dbraw/zinc/01/58/33/267015833.db2.gz RCTLXHLBVIKXEE-SNVBAGLBSA-N 1 2 255.362 0.524 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000363045047 267073855 /nfs/dbraw/zinc/07/38/55/267073855.db2.gz BPVICFGHFRQTDA-LBPRGKRZSA-N 1 2 291.376 0.857 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000363045047 267073859 /nfs/dbraw/zinc/07/38/59/267073859.db2.gz BPVICFGHFRQTDA-LBPRGKRZSA-N 1 2 291.376 0.857 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369293616 267231904 /nfs/dbraw/zinc/23/19/04/267231904.db2.gz LXASJIBZDBXANQ-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369293616 267231907 /nfs/dbraw/zinc/23/19/07/267231907.db2.gz LXASJIBZDBXANQ-DGCLKSJQSA-N 1 2 254.330 0.168 20 30 CCEDLO Cc1cc(NCCC(=O)N2CCOCC2)c(C#N)c[nH+]1 ZINC000399500643 267300066 /nfs/dbraw/zinc/30/00/66/267300066.db2.gz IQDLOVLPBUZFGU-UHFFFAOYSA-N 1 2 274.324 0.344 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000376674662 268007934 /nfs/dbraw/zinc/00/79/34/268007934.db2.gz VIWFIWUYCQCKEU-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000376674662 268007937 /nfs/dbraw/zinc/00/79/37/268007937.db2.gz VIWFIWUYCQCKEU-UKRRQHHQSA-N 1 2 295.383 0.628 20 30 CCEDLO N#Cc1cccc(CC(=O)NCC[NH+]2CCOCC2)c1 ZINC000530669888 268274405 /nfs/dbraw/zinc/27/44/05/268274405.db2.gz MFUOQSFRWOWFQH-UHFFFAOYSA-N 1 2 273.336 0.549 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C[C@@H](C)O1 ZINC000352457474 287884715 /nfs/dbraw/zinc/88/47/15/287884715.db2.gz DKEKESQNSBJQCR-VXGBXAGGSA-N 1 2 283.347 0.950 20 30 CCEDLO C=C(Br)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270508479 276854279 /nfs/dbraw/zinc/85/42/79/276854279.db2.gz JIMDSKNAEXJVGP-UHFFFAOYSA-N 1 2 288.145 0.569 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761072839 581886108 /nfs/dbraw/zinc/88/61/08/581886108.db2.gz FINWNCKBYQGBMQ-RYUDHWBXSA-N 1 2 252.362 0.383 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329924297 289394089 /nfs/dbraw/zinc/39/40/89/289394089.db2.gz IZISKLDKWGEVNS-USWWRNFRSA-N 1 2 296.371 0.423 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329924297 289394091 /nfs/dbraw/zinc/39/40/91/289394091.db2.gz IZISKLDKWGEVNS-USWWRNFRSA-N 1 2 296.371 0.423 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC000345371513 289611714 /nfs/dbraw/zinc/61/17/14/289611714.db2.gz AZXLSVDUYXFLSK-LLVKDONJSA-N 1 2 276.340 0.679 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335554607 294851742 /nfs/dbraw/zinc/85/17/42/294851742.db2.gz XJXRWZYMQLRZMG-JQWIXIFHSA-N 1 2 276.365 0.913 20 30 CCEDLO [O-]C(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CCn1cccn1 ZINC000329297683 295378150 /nfs/dbraw/zinc/37/81/50/295378150.db2.gz KYPWEUHOXZMMCW-NSHDSACASA-N 1 2 263.345 0.623 20 30 CCEDLO [O-]C(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CCn1cccn1 ZINC000329297683 295378154 /nfs/dbraw/zinc/37/81/54/295378154.db2.gz KYPWEUHOXZMMCW-NSHDSACASA-N 1 2 263.345 0.623 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000582071243 327831926 /nfs/dbraw/zinc/83/19/26/327831926.db2.gz MIEXWBQIVPYQSX-JTQLQIEISA-N 1 2 269.345 0.726 20 30 CCEDLO CCN1CCN(c2ncncc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000582118751 327877834 /nfs/dbraw/zinc/87/78/34/327877834.db2.gz KMODKFSTXFROHZ-GFCCVEGCSA-N 1 2 283.339 0.955 20 30 CCEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000289989329 328528132 /nfs/dbraw/zinc/52/81/32/328528132.db2.gz HGRCTQZDPFBUNH-JTQLQIEISA-N 1 2 263.297 0.300 20 30 CCEDLO CN(C)c1ccc(CNS(=O)(=O)N(C)CCC#N)c[nH+]1 ZINC000356528825 326821719 /nfs/dbraw/zinc/82/17/19/326821719.db2.gz NDHQJQSZAHTHMU-UHFFFAOYSA-N 1 2 297.384 0.327 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1COC1 ZINC000451284435 331023052 /nfs/dbraw/zinc/02/30/52/331023052.db2.gz KQJOMRUKQHJZNG-CYBMUJFWSA-N 1 2 253.346 0.762 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1COC1 ZINC000451284435 331023053 /nfs/dbraw/zinc/02/30/53/331023053.db2.gz KQJOMRUKQHJZNG-CYBMUJFWSA-N 1 2 253.346 0.762 20 30 CCEDLO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](CC)CC#N ZINC000569617975 327324096 /nfs/dbraw/zinc/32/40/96/327324096.db2.gz AILAOWLVZGDFBA-NSHDSACASA-N 1 2 268.361 0.253 20 30 CCEDLO Cc1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)no1 ZINC000562323133 327470406 /nfs/dbraw/zinc/47/04/06/327470406.db2.gz QQQPIMMZJWOFBV-LBPRGKRZSA-N 1 2 250.302 0.486 20 30 CCEDLO Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)c(C)c[nH+]1 ZINC000536619769 328670529 /nfs/dbraw/zinc/67/05/29/328670529.db2.gz AHALDVAKDNOREK-LLVKDONJSA-N 1 2 260.297 0.877 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000358316977 328881676 /nfs/dbraw/zinc/88/16/76/328881676.db2.gz JJSXJVHRMUTINK-MNOVXSKESA-N 1 2 263.301 0.206 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000172880396 329139864 /nfs/dbraw/zinc/13/98/64/329139864.db2.gz MTLQWJFKKQNGAL-LBPRGKRZSA-N 1 2 269.345 0.096 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](COC)C1 ZINC000172880396 329139865 /nfs/dbraw/zinc/13/98/65/329139865.db2.gz MTLQWJFKKQNGAL-LBPRGKRZSA-N 1 2 269.345 0.096 20 30 CCEDLO CC#CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583182828 329347797 /nfs/dbraw/zinc/34/77/97/329347797.db2.gz XDGPUPHYUCRRMB-UHFFFAOYSA-N 1 2 270.292 0.802 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189387812 329380721 /nfs/dbraw/zinc/38/07/21/329380721.db2.gz CJJPEASWKXHBNI-GRYCIOLGSA-N 1 2 256.346 0.413 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189387812 329380722 /nfs/dbraw/zinc/38/07/22/329380722.db2.gz CJJPEASWKXHBNI-GRYCIOLGSA-N 1 2 256.346 0.413 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433300364 330216847 /nfs/dbraw/zinc/21/68/47/330216847.db2.gz DTPCVVRRKLSNLP-SNVBAGLBSA-N 1 2 284.360 0.329 20 30 CCEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433300364 330216848 /nfs/dbraw/zinc/21/68/48/330216848.db2.gz DTPCVVRRKLSNLP-SNVBAGLBSA-N 1 2 284.360 0.329 20 30 CCEDLO C=CC(C)(C)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000451812703 331043425 /nfs/dbraw/zinc/04/34/25/331043425.db2.gz PHLHWOVCNDSJDH-UHFFFAOYSA-N 1 2 290.429 0.840 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451887503 331046310 /nfs/dbraw/zinc/04/63/10/331046310.db2.gz GIJBHEQZOZQECF-TXEJJXNPSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451887503 331046311 /nfs/dbraw/zinc/04/63/11/331046311.db2.gz GIJBHEQZOZQECF-TXEJJXNPSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000457757242 331233428 /nfs/dbraw/zinc/23/34/28/331233428.db2.gz QRENBQYAOFXEPB-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458717235 331257579 /nfs/dbraw/zinc/25/75/79/331257579.db2.gz LNZXYUBDCJIFFX-ZDUSSCGKSA-N 1 2 297.399 0.478 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000459371502 331278797 /nfs/dbraw/zinc/27/87/97/331278797.db2.gz IDULZSOVCNGUFE-VHSXEESVSA-N 1 2 264.329 0.551 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000459371502 331278798 /nfs/dbraw/zinc/27/87/98/331278798.db2.gz IDULZSOVCNGUFE-VHSXEESVSA-N 1 2 264.329 0.551 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000489633570 332061558 /nfs/dbraw/zinc/06/15/58/332061558.db2.gz MJNCUZRYNSQEAQ-QWHCGFSZSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000489633570 332061559 /nfs/dbraw/zinc/06/15/59/332061559.db2.gz MJNCUZRYNSQEAQ-QWHCGFSZSA-N 1 2 290.429 0.669 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000490711978 332106876 /nfs/dbraw/zinc/10/68/76/332106876.db2.gz BXLULWIBDYHALY-CHWSQXEVSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000490711978 332106877 /nfs/dbraw/zinc/10/68/77/332106877.db2.gz BXLULWIBDYHALY-CHWSQXEVSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CCC#N)CC2CC2)CC1 ZINC000490779365 332114766 /nfs/dbraw/zinc/11/47/66/332114766.db2.gz VLGPYHKBVJYQKR-UHFFFAOYSA-N 1 2 288.395 0.389 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCC=C(F)C2)CC1 ZINC000490916053 332127988 /nfs/dbraw/zinc/12/79/88/332127988.db2.gz RGHSAFTVOJSKLE-UHFFFAOYSA-N 1 2 265.332 0.323 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000491376263 332200622 /nfs/dbraw/zinc/20/06/22/332200622.db2.gz ZFRSMLLISSLTNE-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000491376263 332200624 /nfs/dbraw/zinc/20/06/24/332200624.db2.gz ZFRSMLLISSLTNE-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000491405325 332205751 /nfs/dbraw/zinc/20/57/51/332205751.db2.gz IEZNCVHHKLTKAH-JTQLQIEISA-N 1 2 276.340 0.900 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515687 332227277 /nfs/dbraw/zinc/22/72/77/332227277.db2.gz PCXLSPKYGSETQC-CHWSQXEVSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515687 332227278 /nfs/dbraw/zinc/22/72/78/332227278.db2.gz PCXLSPKYGSETQC-CHWSQXEVSA-N 1 2 271.382 0.535 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000491629885 332252564 /nfs/dbraw/zinc/25/25/64/332252564.db2.gz MQBRSMMNWIWKCM-BDAKNGLRSA-N 1 2 295.364 0.718 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000491638857 332259309 /nfs/dbraw/zinc/25/93/09/332259309.db2.gz WCXCBIQICWBWFC-VIFPVBQESA-N 1 2 292.339 0.077 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000491638857 332259310 /nfs/dbraw/zinc/25/93/10/332259310.db2.gz WCXCBIQICWBWFC-VIFPVBQESA-N 1 2 292.339 0.077 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)/C=C/c1[nH+]ccn1CC ZINC000491640855 332260552 /nfs/dbraw/zinc/26/05/52/332260552.db2.gz PEHZQBZBKDBGPR-FYJFLYSWSA-N 1 2 259.309 0.777 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000491669621 332277103 /nfs/dbraw/zinc/27/71/03/332277103.db2.gz UOGMKWWPJKKCCQ-HZMBPMFUSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(CCC(=O)OC)C1=O ZINC000491669621 332277104 /nfs/dbraw/zinc/27/71/04/332277104.db2.gz UOGMKWWPJKKCCQ-HZMBPMFUSA-N 1 2 295.339 0.161 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491715313 332305400 /nfs/dbraw/zinc/30/54/00/332305400.db2.gz PHBCYYMRNGRJCJ-UTUOFQBUSA-N 1 2 274.324 0.933 20 30 CCEDLO C#CCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000491768731 332336173 /nfs/dbraw/zinc/33/61/73/332336173.db2.gz JAGRKPIKCIRRFK-AWEZNQCLSA-N 1 2 297.424 0.469 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](C)OC)n1 ZINC000491777470 332342794 /nfs/dbraw/zinc/34/27/94/332342794.db2.gz XHLCUNARPIDBEM-CYBMUJFWSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](C)OC)n1 ZINC000491777470 332342796 /nfs/dbraw/zinc/34/27/96/332342796.db2.gz XHLCUNARPIDBEM-CYBMUJFWSA-N 1 2 265.357 1.000 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491778667 332343848 /nfs/dbraw/zinc/34/38/48/332343848.db2.gz HTNKSXUHEKXLGP-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491778667 332343850 /nfs/dbraw/zinc/34/38/50/332343850.db2.gz HTNKSXUHEKXLGP-RYUDHWBXSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000491801231 332355558 /nfs/dbraw/zinc/35/55/58/332355558.db2.gz BZBYRRMBPJYBDO-ZDUSSCGKSA-N 1 2 255.321 0.931 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491806493 332359885 /nfs/dbraw/zinc/35/98/85/332359885.db2.gz ADEYESRECFWSQK-HIFRSBDPSA-N 1 2 259.353 0.998 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000491817508 332367930 /nfs/dbraw/zinc/36/79/30/332367930.db2.gz JBDNVQKIOFNSFN-ZIAGYGMSSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000491817508 332367931 /nfs/dbraw/zinc/36/79/31/332367931.db2.gz JBDNVQKIOFNSFN-ZIAGYGMSSA-N 1 2 291.395 0.316 20 30 CCEDLO Cn1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493041784 332424030 /nfs/dbraw/zinc/42/40/30/332424030.db2.gz ACDYZFYHMYJPDC-GEXIGZQTSA-N 1 2 260.341 0.998 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000178143748 333068485 /nfs/dbraw/zinc/06/84/85/333068485.db2.gz OAKYQMNAWPJPGY-LLVKDONJSA-N 1 2 259.309 0.656 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000192233781 333233281 /nfs/dbraw/zinc/23/32/81/333233281.db2.gz RNQNYEDQCDOPLE-UHFFFAOYSA-N 1 2 257.293 0.537 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000192233781 333233282 /nfs/dbraw/zinc/23/32/82/333233282.db2.gz RNQNYEDQCDOPLE-UHFFFAOYSA-N 1 2 257.293 0.537 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2nccs2)CC1 ZINC000195217080 333248326 /nfs/dbraw/zinc/24/83/26/333248326.db2.gz GJDCKJIIMQLYLA-UHFFFAOYSA-N 1 2 250.327 0.926 20 30 CCEDLO N#CCC[N@@H+](CCC(=O)NC(N)=O)Cc1ccccn1 ZINC000081160126 334179698 /nfs/dbraw/zinc/17/96/98/334179698.db2.gz SHKHSECVNNIDRR-UHFFFAOYSA-N 1 2 275.312 0.382 20 30 CCEDLO N#CCC[N@H+](CCC(=O)NC(N)=O)Cc1ccccn1 ZINC000081160126 334179699 /nfs/dbraw/zinc/17/96/99/334179699.db2.gz SHKHSECVNNIDRR-UHFFFAOYSA-N 1 2 275.312 0.382 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245777589 334219029 /nfs/dbraw/zinc/21/90/29/334219029.db2.gz LSIRGHXXIBFSSP-NWDGAFQWSA-N 1 2 294.399 0.593 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000245777589 334219030 /nfs/dbraw/zinc/21/90/30/334219030.db2.gz LSIRGHXXIBFSSP-NWDGAFQWSA-N 1 2 294.399 0.593 20 30 CCEDLO Cn1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000576640824 335229565 /nfs/dbraw/zinc/22/95/65/335229565.db2.gz XUENOJJIULSJMD-ZDUSSCGKSA-N 1 2 263.345 0.313 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576707305 335237964 /nfs/dbraw/zinc/23/79/64/335237964.db2.gz LTWFBFGYXPOKEP-CYBMUJFWSA-N 1 2 259.313 0.470 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1CC(N)=O ZINC000581610911 336112255 /nfs/dbraw/zinc/11/22/55/336112255.db2.gz GVZHLLGEHXMMFS-ZDUSSCGKSA-N 1 2 291.351 0.300 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1CC(N)=O ZINC000581610911 336112256 /nfs/dbraw/zinc/11/22/56/336112256.db2.gz GVZHLLGEHXMMFS-ZDUSSCGKSA-N 1 2 291.351 0.300 20 30 CCEDLO C=CCOC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000581617693 336113450 /nfs/dbraw/zinc/11/34/50/336113450.db2.gz ZTSOVHRCXNISGP-NSHDSACASA-N 1 2 284.356 0.189 20 30 CCEDLO COc1cc(C[NH+]2CCN(CC(N)=O)CC2)ccc1C#N ZINC000282224590 533811306 /nfs/dbraw/zinc/81/13/06/533811306.db2.gz IEJBYIRDHOLGRS-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO COc1cc(CN2CC[NH+](CC(N)=O)CC2)ccc1C#N ZINC000282224590 533811311 /nfs/dbraw/zinc/81/13/11/533811311.db2.gz IEJBYIRDHOLGRS-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO N#CCSCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347289649 534701535 /nfs/dbraw/zinc/70/15/35/534701535.db2.gz LDIRRFBRBAMIJX-UHFFFAOYSA-N 1 2 269.370 0.224 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](O)C1 ZINC000330267840 534764863 /nfs/dbraw/zinc/76/48/63/534764863.db2.gz IIEDTBYXHLLVSY-MNOVXSKESA-N 1 2 264.329 0.569 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1F ZINC000452092279 534779907 /nfs/dbraw/zinc/77/99/07/534779907.db2.gz WOAYPZORQNMWEN-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1F ZINC000452092279 534779909 /nfs/dbraw/zinc/77/99/09/534779909.db2.gz WOAYPZORQNMWEN-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO CC#CC[N@@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000334640016 526365269 /nfs/dbraw/zinc/36/52/69/526365269.db2.gz RWBVUOIRACQNGL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000334640016 526365275 /nfs/dbraw/zinc/36/52/75/526365275.db2.gz RWBVUOIRACQNGL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000334640016 526365279 /nfs/dbraw/zinc/36/52/79/526365279.db2.gz RWBVUOIRACQNGL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000334640016 526365282 /nfs/dbraw/zinc/36/52/82/526365282.db2.gz RWBVUOIRACQNGL-GFCCVEGCSA-N 1 2 260.341 0.888 20 30 CCEDLO C=CCCN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000671348504 545245570 /nfs/dbraw/zinc/24/55/70/545245570.db2.gz CKRLZYYJPQZYFD-UHFFFAOYSA-N 1 2 278.356 0.814 20 30 CCEDLO CC[NH+]1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000330008731 529108168 /nfs/dbraw/zinc/10/81/68/529108168.db2.gz FQSXPJOQSBEKCN-BMLIUANNSA-N 1 2 259.375 0.059 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000352603957 529150386 /nfs/dbraw/zinc/15/03/86/529150386.db2.gz QGZFQKSUEZYERT-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000352603957 529150387 /nfs/dbraw/zinc/15/03/87/529150387.db2.gz QGZFQKSUEZYERT-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977510 545355859 /nfs/dbraw/zinc/35/58/59/545355859.db2.gz OXTDWXLMROFQMQ-VHSXEESVSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977510 545355860 /nfs/dbraw/zinc/35/58/60/545355860.db2.gz OXTDWXLMROFQMQ-VHSXEESVSA-N 1 2 252.318 0.627 20 30 CCEDLO COCC#CC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000678976807 545400660 /nfs/dbraw/zinc/40/06/60/545400660.db2.gz IKZWQJUDCPLJRG-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000678976807 545400661 /nfs/dbraw/zinc/40/06/61/545400661.db2.gz IKZWQJUDCPLJRG-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO COCC#CC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000679156640 545403035 /nfs/dbraw/zinc/40/30/35/545403035.db2.gz IOZXIVBABMXKHO-UHFFFAOYSA-N 1 2 267.373 0.714 20 30 CCEDLO COCC#CC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000679156640 545403036 /nfs/dbraw/zinc/40/30/36/545403036.db2.gz IOZXIVBABMXKHO-UHFFFAOYSA-N 1 2 267.373 0.714 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682038613 545471546 /nfs/dbraw/zinc/47/15/46/545471546.db2.gz SBTJAYWCXVBCBE-GFCCVEGCSA-N 1 2 269.389 0.066 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682038613 545471547 /nfs/dbraw/zinc/47/15/47/545471547.db2.gz SBTJAYWCXVBCBE-GFCCVEGCSA-N 1 2 269.389 0.066 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777554950 581119899 /nfs/dbraw/zinc/11/98/99/581119899.db2.gz MMXUSVSYCWWSRL-LLVKDONJSA-N 1 2 278.381 0.864 20 30 CCEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NCCC#N ZINC000781347069 581265758 /nfs/dbraw/zinc/26/57/58/581265758.db2.gz OHVPUIMQVMJUSP-LLVKDONJSA-N 1 2 267.329 0.434 20 30 CCEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NCCC#N ZINC000781347069 581265761 /nfs/dbraw/zinc/26/57/61/581265761.db2.gz OHVPUIMQVMJUSP-LLVKDONJSA-N 1 2 267.329 0.434 20 30 CCEDLO CC1(C=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000782128693 581289525 /nfs/dbraw/zinc/28/95/25/581289525.db2.gz UKYILBRMJMMRQV-UHFFFAOYSA-N 1 2 270.402 0.569 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN(CC#N)C2CC2)C1 ZINC000783975499 581369120 /nfs/dbraw/zinc/36/91/20/581369120.db2.gz LMUIDXYVQALKOG-NSHDSACASA-N 1 2 273.340 0.681 20 30 CCEDLO Cn1c[nH+]c(CN=Nc2ccc(-n3cccn3)nn2)c1 ZINC000794495143 581372343 /nfs/dbraw/zinc/37/23/43/581372343.db2.gz OCKSSHMWNZEHCE-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCCCNC1=O ZINC000784340228 581380950 /nfs/dbraw/zinc/38/09/50/581380950.db2.gz DGQCAASDVKQZFS-LLVKDONJSA-N 1 2 278.356 0.149 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCCCNC1=O ZINC000784340228 581380951 /nfs/dbraw/zinc/38/09/51/581380951.db2.gz DGQCAASDVKQZFS-LLVKDONJSA-N 1 2 278.356 0.149 20 30 CCEDLO C=CCC[N@@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000786102100 581430667 /nfs/dbraw/zinc/43/06/67/581430667.db2.gz LQSFGGYVYDIMGG-UHFFFAOYSA-N 1 2 251.286 0.495 20 30 CCEDLO C=CCC[N@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000786102100 581430668 /nfs/dbraw/zinc/43/06/68/581430668.db2.gz LQSFGGYVYDIMGG-UHFFFAOYSA-N 1 2 251.286 0.495 20 30 CCEDLO C#CC[N@@H+](CCS(N)(=O)=O)Cc1ccccc1 ZINC000796639973 581446976 /nfs/dbraw/zinc/44/69/76/581446976.db2.gz RCCAQKLUXYQURC-UHFFFAOYSA-N 1 2 252.339 0.410 20 30 CCEDLO C#CC[N@H+](CCS(N)(=O)=O)Cc1ccccc1 ZINC000796639973 581446978 /nfs/dbraw/zinc/44/69/78/581446978.db2.gz RCCAQKLUXYQURC-UHFFFAOYSA-N 1 2 252.339 0.410 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(CC)[nH]1 ZINC000765237439 581507059 /nfs/dbraw/zinc/50/70/59/581507059.db2.gz ZFIMHXRWNNXIQB-QWRGUYRKSA-N 1 2 275.356 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(CC)[nH]1 ZINC000765237439 581507060 /nfs/dbraw/zinc/50/70/60/581507060.db2.gz ZFIMHXRWNNXIQB-QWRGUYRKSA-N 1 2 275.356 0.642 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000752955567 581522787 /nfs/dbraw/zinc/52/27/87/581522787.db2.gz RGXJVEAUZUFMHE-ZDUSSCGKSA-N 1 2 270.292 0.642 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nc1 ZINC000729386408 581579138 /nfs/dbraw/zinc/57/91/38/581579138.db2.gz SRRLGTKERMKJRL-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nc1 ZINC000729386408 581579142 /nfs/dbraw/zinc/57/91/42/581579142.db2.gz SRRLGTKERMKJRL-LBPRGKRZSA-N 1 2 273.336 0.513 20 30 CCEDLO CN1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000734834589 581590821 /nfs/dbraw/zinc/59/08/21/581590821.db2.gz YEBQPOBMDQQVSK-JTQLQIEISA-N 1 2 251.261 0.693 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(C)COC(C)(C)OC2)CC1 ZINC000767184522 581599447 /nfs/dbraw/zinc/59/94/47/581599447.db2.gz SMUMPCATWKCXIR-UHFFFAOYSA-N 1 2 280.368 0.553 20 30 CCEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCC#N)[C@@H]2C1 ZINC000755052153 581623603 /nfs/dbraw/zinc/62/36/03/581623603.db2.gz AOKVEEHRXCKZQQ-JHJVBQTASA-N 1 2 281.356 0.285 20 30 CCEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCC#N)[C@@H]2C1 ZINC000755052153 581623607 /nfs/dbraw/zinc/62/36/07/581623607.db2.gz AOKVEEHRXCKZQQ-JHJVBQTASA-N 1 2 281.356 0.285 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000755479491 581642172 /nfs/dbraw/zinc/64/21/72/581642172.db2.gz VEWSCBNOKFCTJA-JSGCOSHPSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000755479491 581642173 /nfs/dbraw/zinc/64/21/73/581642173.db2.gz VEWSCBNOKFCTJA-JSGCOSHPSA-N 1 2 250.342 0.769 20 30 CCEDLO COCCCNC(=S)NN=Cc1c[nH+]cn1C ZINC000755525276 581643724 /nfs/dbraw/zinc/64/37/24/581643724.db2.gz UNQVLYOUJYRBFE-UHFFFAOYSA-N 1 2 255.347 0.255 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000730283512 581691335 /nfs/dbraw/zinc/69/13/35/581691335.db2.gz PYTIGYIIRGNKPD-AWEZNQCLSA-N 1 2 291.395 0.649 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000730283512 581691339 /nfs/dbraw/zinc/69/13/39/581691339.db2.gz PYTIGYIIRGNKPD-AWEZNQCLSA-N 1 2 291.395 0.649 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NC1CCOCC1 ZINC000757599653 581704043 /nfs/dbraw/zinc/70/40/43/581704043.db2.gz ULCHBLZUOCZEPY-UHFFFAOYSA-N 1 2 251.290 0.170 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1=O ZINC000758214590 581727883 /nfs/dbraw/zinc/72/78/83/581727883.db2.gz IPXWVPCYJJUEKH-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1=O ZINC000758214590 581727886 /nfs/dbraw/zinc/72/78/86/581727886.db2.gz IPXWVPCYJJUEKH-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO COC(=O)[C@@]1(C)CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235884 581730210 /nfs/dbraw/zinc/73/02/10/581730210.db2.gz LAOBIXWTAINAOK-AWEZNQCLSA-N 1 2 275.308 0.562 20 30 CCEDLO COC(=O)[C@@]1(C)CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235884 581730213 /nfs/dbraw/zinc/73/02/13/581730213.db2.gz LAOBIXWTAINAOK-AWEZNQCLSA-N 1 2 275.308 0.562 20 30 CCEDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758238061 581731105 /nfs/dbraw/zinc/73/11/05/581731105.db2.gz JBXKRTYUKBIMOW-GFCCVEGCSA-N 1 2 275.308 0.705 20 30 CCEDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758238061 581731107 /nfs/dbraw/zinc/73/11/07/581731107.db2.gz JBXKRTYUKBIMOW-GFCCVEGCSA-N 1 2 275.308 0.705 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)C1 ZINC000758246777 581731660 /nfs/dbraw/zinc/73/16/60/581731660.db2.gz AGRZNRNMGBTKDH-KBDARXMYSA-N 1 2 297.424 0.449 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000771033249 581784533 /nfs/dbraw/zinc/78/45/33/581784533.db2.gz OFUBELCYMHSXRN-HNNXBMFYSA-N 1 2 285.347 0.610 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000771035724 581784614 /nfs/dbraw/zinc/78/46/14/581784614.db2.gz UOGDDPLOCPQJEO-CQSZACIVSA-N 1 2 285.347 0.610 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000742764604 581795144 /nfs/dbraw/zinc/79/51/44/581795144.db2.gz SOAWVIWWSHHPNS-HNNXBMFYSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000732200943 581808941 /nfs/dbraw/zinc/80/89/41/581808941.db2.gz WYACQFZCZTVMLQ-AWEZNQCLSA-N 1 2 286.379 0.510 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761072839 581886107 /nfs/dbraw/zinc/88/61/07/581886107.db2.gz FINWNCKBYQGBMQ-RYUDHWBXSA-N 1 2 252.362 0.383 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000746487679 581916526 /nfs/dbraw/zinc/91/65/26/581916526.db2.gz PZBTWOHKCVYPMI-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000761691803 581917847 /nfs/dbraw/zinc/91/78/47/581917847.db2.gz QVRCMYTWJKNHBB-NSHDSACASA-N 1 2 297.355 0.226 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000761691803 581917850 /nfs/dbraw/zinc/91/78/50/581917850.db2.gz QVRCMYTWJKNHBB-NSHDSACASA-N 1 2 297.355 0.226 20 30 CCEDLO O=S1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761837618 581921883 /nfs/dbraw/zinc/92/18/83/581921883.db2.gz HMAPPRYHJVFZHC-UHFFFAOYSA-N 1 2 290.352 0.973 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000762174726 581934095 /nfs/dbraw/zinc/93/40/95/581934095.db2.gz ZMTIEAIDKDENTL-WDEREUQCSA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCN1CC(=O)N([C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000762174726 581934096 /nfs/dbraw/zinc/93/40/96/581934096.db2.gz ZMTIEAIDKDENTL-WDEREUQCSA-N 1 2 267.329 0.156 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000748473921 581977301 /nfs/dbraw/zinc/97/73/01/581977301.db2.gz ZTBZDYCRAJPCHF-CQSZACIVSA-N 1 2 298.383 0.625 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763694784 582008794 /nfs/dbraw/zinc/00/87/94/582008794.db2.gz FNMDAQKGAJVKTJ-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763694784 582008796 /nfs/dbraw/zinc/00/87/96/582008796.db2.gz FNMDAQKGAJVKTJ-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)[C@H]1CCCO1 ZINC000775324993 582017776 /nfs/dbraw/zinc/01/77/76/582017776.db2.gz ASBNDFLBXDPHLY-FRRDWIJNSA-N 1 2 282.409 0.721 20 30 CCEDLO CC#CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000764145226 582032784 /nfs/dbraw/zinc/03/27/84/582032784.db2.gz FGWJLTJYHNBWIK-UHFFFAOYSA-N 1 2 259.309 0.558 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cnc(OC)nc2)CC1 ZINC000775856354 582043158 /nfs/dbraw/zinc/04/31/58/582043158.db2.gz SMUPMSNMFYBVMK-SNAWJCMRSA-N 1 2 286.335 0.276 20 30 CCEDLO C#CC[NH+]1CCN(c2ncnc3c2ncn3C)CC1 ZINC000750531339 582049777 /nfs/dbraw/zinc/04/97/77/582049777.db2.gz KOCOJLPQGPYQSZ-UHFFFAOYSA-N 1 2 256.313 0.119 20 30 CCEDLO C#CCC[NH+]1CCN(C[C@H](C)CS(C)(=O)=O)CC1 ZINC000776594805 582083626 /nfs/dbraw/zinc/08/36/26/582083626.db2.gz VKWFESAVYVEHRP-ZDUSSCGKSA-N 1 2 272.414 0.308 20 30 CCEDLO C#CCCN1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000776594805 582083629 /nfs/dbraw/zinc/08/36/29/582083629.db2.gz VKWFESAVYVEHRP-ZDUSSCGKSA-N 1 2 272.414 0.308 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000768375238 582105963 /nfs/dbraw/zinc/10/59/63/582105963.db2.gz GGWRARGUTZTEDV-FZMZJTMJSA-N 1 2 274.368 0.863 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000768375238 582105964 /nfs/dbraw/zinc/10/59/64/582105964.db2.gz GGWRARGUTZTEDV-FZMZJTMJSA-N 1 2 274.368 0.863 20 30 CCEDLO C#CCOCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000851710937 612983398 /nfs/dbraw/zinc/98/33/98/612983398.db2.gz RGSSEODMLBFKKV-UHFFFAOYSA-N 1 2 250.264 0.816 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)CC(C)(C)C1=O ZINC000853620026 612988991 /nfs/dbraw/zinc/98/89/91/612988991.db2.gz QXDVKHJERFXCTA-UHFFFAOYSA-N 1 2 266.341 0.701 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)CC(C)(C)C1=O ZINC000853620026 612988992 /nfs/dbraw/zinc/98/89/92/612988992.db2.gz QXDVKHJERFXCTA-UHFFFAOYSA-N 1 2 266.341 0.701 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnn2C)C1 ZINC000949766454 612992535 /nfs/dbraw/zinc/99/25/35/612992535.db2.gz AWEUKKOYJWZWTO-UHFFFAOYSA-N 1 2 260.341 0.590 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928649952 612997375 /nfs/dbraw/zinc/99/73/75/612997375.db2.gz UGOZAPSMNTYTAU-QWHCGFSZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCNC(=O)Cn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852963842 612946189 /nfs/dbraw/zinc/94/61/89/612946189.db2.gz YTASSKIBPXGGQC-CYBMUJFWSA-N 1 2 290.367 0.252 20 30 CCEDLO C#CCNC(=O)Cn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852963842 612946190 /nfs/dbraw/zinc/94/61/90/612946190.db2.gz YTASSKIBPXGGQC-CYBMUJFWSA-N 1 2 290.367 0.252 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000899198367 613011959 /nfs/dbraw/zinc/01/19/59/613011959.db2.gz BNUKEJYJUPFYEN-LBPRGKRZSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000899198367 613011961 /nfs/dbraw/zinc/01/19/61/613011961.db2.gz BNUKEJYJUPFYEN-LBPRGKRZSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000896187867 613013113 /nfs/dbraw/zinc/01/31/13/613013113.db2.gz UGDXDYAVOYNUTQ-RYUDHWBXSA-N 1 2 270.398 0.578 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000849280848 612953352 /nfs/dbraw/zinc/95/33/52/612953352.db2.gz IISZRZMSQRHVRT-MNOVXSKESA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000849280848 612953353 /nfs/dbraw/zinc/95/33/53/612953353.db2.gz IISZRZMSQRHVRT-MNOVXSKESA-N 1 2 255.387 0.193 20 30 CCEDLO C#CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932789071 613047818 /nfs/dbraw/zinc/04/78/18/613047818.db2.gz KVCJQHXIZGBEDR-OLZOCXBDSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(F)cc1 ZINC000121386660 617193148 /nfs/dbraw/zinc/19/31/48/617193148.db2.gz KLBWVWZJCXLERX-SECBINFHSA-N 1 2 283.303 0.674 20 30 CCEDLO C#CC[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000882306898 613072689 /nfs/dbraw/zinc/07/26/89/613072689.db2.gz HHOWGXCUQJIPKF-ZDUSSCGKSA-N 1 2 281.381 0.948 20 30 CCEDLO C#CCN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882119782 613079317 /nfs/dbraw/zinc/07/93/17/613079317.db2.gz MCJOZFJGVXQLGD-UHFFFAOYSA-N 1 2 278.377 0.928 20 30 CCEDLO C#CCN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882119782 613079319 /nfs/dbraw/zinc/07/93/19/613079319.db2.gz MCJOZFJGVXQLGD-UHFFFAOYSA-N 1 2 278.377 0.928 20 30 CCEDLO C#CC1(O)C[NH+](CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000898145060 612960499 /nfs/dbraw/zinc/96/04/99/612960499.db2.gz TZXZZVHHFAIKCZ-UHFFFAOYSA-N 1 2 280.368 0.925 20 30 CCEDLO C#CCC1(O)CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000883143066 612972089 /nfs/dbraw/zinc/97/20/89/612972089.db2.gz AHTLWQIQDMRFLY-ZDUSSCGKSA-N 1 2 290.367 0.831 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000880483729 612973775 /nfs/dbraw/zinc/97/37/75/612973775.db2.gz JUFFKUKWHGAAFX-UHFFFAOYSA-N 1 2 274.368 0.965 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000851845581 612983303 /nfs/dbraw/zinc/98/33/03/612983303.db2.gz RDQBAUGXBGMNKZ-UHFFFAOYSA-N 1 2 288.347 0.800 20 30 CCEDLO C#CCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000879156814 612984751 /nfs/dbraw/zinc/98/47/51/612984751.db2.gz YLRRIGDEKTUQKK-WCQYABFASA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000879156814 612984752 /nfs/dbraw/zinc/98/47/52/612984752.db2.gz YLRRIGDEKTUQKK-WCQYABFASA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877640861 612989430 /nfs/dbraw/zinc/98/94/30/612989430.db2.gz GPUXFWAVUSUHFK-OAHLLOKOSA-N 1 2 292.383 0.929 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877640861 612989432 /nfs/dbraw/zinc/98/94/32/612989432.db2.gz GPUXFWAVUSUHFK-OAHLLOKOSA-N 1 2 292.383 0.929 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2COCCN2CC)C1 ZINC000950681416 612990671 /nfs/dbraw/zinc/99/06/71/612990671.db2.gz MJIUWTZYVYFBPP-HNNXBMFYSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000949628806 612991087 /nfs/dbraw/zinc/99/10/87/612991087.db2.gz XKWJYQIBMSOOQZ-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCCN1CC[NH+](CCOCC(=O)OCC)CC1 ZINC000809967414 613011476 /nfs/dbraw/zinc/01/14/76/613011476.db2.gz AHBXSVBFOVBHLP-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875913025 613021434 /nfs/dbraw/zinc/02/14/34/613021434.db2.gz KDWOFEIMACZSMK-NWDGAFQWSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000854549866 613024230 /nfs/dbraw/zinc/02/42/30/613024230.db2.gz LOOQPZYQIHPSSL-NSHDSACASA-N 1 2 261.325 0.262 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000816671066 613028617 /nfs/dbraw/zinc/02/86/17/613028617.db2.gz MJHHLGJQEXZMDV-NSHDSACASA-N 1 2 270.292 0.381 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)OC ZINC000844146366 613041363 /nfs/dbraw/zinc/04/13/63/613041363.db2.gz KNPKHGCFFAUQNK-CMPLNLGQSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858154941 613051626 /nfs/dbraw/zinc/05/16/26/613051626.db2.gz WNOKISXYUNBKJS-CHWSQXEVSA-N 1 2 278.356 0.999 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897656441 613063512 /nfs/dbraw/zinc/06/35/12/613063512.db2.gz DKALCEJHCCWLOF-SMDDNHRTSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897656441 613063513 /nfs/dbraw/zinc/06/35/13/613063513.db2.gz DKALCEJHCCWLOF-SMDDNHRTSA-N 1 2 290.367 0.681 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000863805723 613065395 /nfs/dbraw/zinc/06/53/95/613065395.db2.gz UACLHCOCMQFXIE-VXGBXAGGSA-N 1 2 261.325 0.600 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCOCC1 ZINC000856104986 613091845 /nfs/dbraw/zinc/09/18/45/613091845.db2.gz ZVUJJNYVWJPEBU-GFCCVEGCSA-N 1 2 261.325 0.887 20 30 CCEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000856107708 613098153 /nfs/dbraw/zinc/09/81/53/613098153.db2.gz SOZFVSQXADHSON-ZIAGYGMSSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CCN(CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900354168 613105287 /nfs/dbraw/zinc/10/52/87/613105287.db2.gz UXTPAGIHTCIAFO-QBFSEMIESA-N 1 2 250.342 0.747 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C(/C)C3CC3)CC2)C1 ZINC000941323001 613114724 /nfs/dbraw/zinc/11/47/24/613114724.db2.gz LHXADMZPSOVFFN-KAMYIIQDSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000941613678 613115077 /nfs/dbraw/zinc/11/50/77/613115077.db2.gz UHTQPMHHNHFBOS-UHFFFAOYSA-N 1 2 287.363 0.284 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000941279410 613115746 /nfs/dbraw/zinc/11/57/46/613115746.db2.gz QFWVIYDONPXMHT-UHFFFAOYSA-N 1 2 284.363 0.157 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000820401087 613115904 /nfs/dbraw/zinc/11/59/04/613115904.db2.gz VXOAAFJCRYINDV-STQMWFEESA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922524548 613121083 /nfs/dbraw/zinc/12/10/83/613121083.db2.gz FEVSXHNGDQSADF-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)NCc2n[nH]c(C)n2)CC1 ZINC000898346577 613134518 /nfs/dbraw/zinc/13/45/18/613134518.db2.gz AYTPPYHYTTXVFR-UHFFFAOYSA-N 1 2 276.344 0.010 20 30 CCEDLO C#C[C@](C)(CC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868629583 613163226 /nfs/dbraw/zinc/16/32/26/613163226.db2.gz KSYYBYBDVXYUEK-LMVHVUTASA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C=O)[nH]c2C)C1 ZINC000923562565 613173952 /nfs/dbraw/zinc/17/39/52/613173952.db2.gz ZSIGPESQHVEUHD-GFCCVEGCSA-N 1 2 273.336 0.963 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C=O)[nH]c2C)C1 ZINC000923562565 613173953 /nfs/dbraw/zinc/17/39/53/613173953.db2.gz ZSIGPESQHVEUHD-GFCCVEGCSA-N 1 2 273.336 0.963 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000884613496 613176712 /nfs/dbraw/zinc/17/67/12/613176712.db2.gz NWWJHEHVFXRAKR-SNVBAGLBSA-N 1 2 256.313 0.862 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000884613496 613176714 /nfs/dbraw/zinc/17/67/14/613176714.db2.gz NWWJHEHVFXRAKR-SNVBAGLBSA-N 1 2 256.313 0.862 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)nc1 ZINC000928640265 613183327 /nfs/dbraw/zinc/18/33/27/613183327.db2.gz NVBWFQGBPOIWEY-AWEZNQCLSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000884322803 613184881 /nfs/dbraw/zinc/18/48/81/613184881.db2.gz VYJNAVVVJGGUJU-FKIZINRSSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000884322803 613184882 /nfs/dbraw/zinc/18/48/82/613184882.db2.gz VYJNAVVVJGGUJU-FKIZINRSSA-N 1 2 297.424 0.294 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)C1 ZINC000923596653 613190446 /nfs/dbraw/zinc/19/04/46/613190446.db2.gz KCMYSEMHVPLDDJ-OIMNJJJWSA-N 1 2 260.337 0.425 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)C1 ZINC000923596653 613190448 /nfs/dbraw/zinc/19/04/48/613190448.db2.gz KCMYSEMHVPLDDJ-OIMNJJJWSA-N 1 2 260.337 0.425 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)CCOC)C1 ZINC000885511563 613193123 /nfs/dbraw/zinc/19/31/23/613193123.db2.gz JTCAICSGGXLPAN-OLZOCXBDSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)CCOC)C1 ZINC000885511563 613193125 /nfs/dbraw/zinc/19/31/25/613193125.db2.gz JTCAICSGGXLPAN-OLZOCXBDSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000855445264 613197482 /nfs/dbraw/zinc/19/74/82/613197482.db2.gz LPZPYDXDFPXXIK-QWRGUYRKSA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000855445264 613197484 /nfs/dbraw/zinc/19/74/84/613197484.db2.gz LPZPYDXDFPXXIK-QWRGUYRKSA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000848297098 613200655 /nfs/dbraw/zinc/20/06/55/613200655.db2.gz VBAQTIWKPCKQKG-NSHDSACASA-N 1 2 290.371 0.142 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000848297098 613200656 /nfs/dbraw/zinc/20/06/56/613200656.db2.gz VBAQTIWKPCKQKG-NSHDSACASA-N 1 2 290.371 0.142 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928054407 613201545 /nfs/dbraw/zinc/20/15/45/613201545.db2.gz SKCYXNPAVWZPLS-RDBSUJKOSA-N 1 2 262.353 0.768 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928054407 613201546 /nfs/dbraw/zinc/20/15/46/613201546.db2.gz SKCYXNPAVWZPLS-RDBSUJKOSA-N 1 2 262.353 0.768 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncc3sccc3c2=O)CC1 ZINC000902043294 613209640 /nfs/dbraw/zinc/20/96/40/613209640.db2.gz ZOOWQRWAPMFCFR-UHFFFAOYSA-N 1 2 288.376 0.666 20 30 CCEDLO C#CC[NH+]1CCN(c2nc(N)nc(Cl)c2N)CC1 ZINC000911669982 613209735 /nfs/dbraw/zinc/20/97/35/613209735.db2.gz GCCJGEJKCRGUHQ-UHFFFAOYSA-N 1 2 266.736 0.050 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CCOC)C2)c1 ZINC000951719104 613211639 /nfs/dbraw/zinc/21/16/39/613211639.db2.gz JFMTVKFPGPTRFK-UHFFFAOYSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972217685 613212406 /nfs/dbraw/zinc/21/24/06/613212406.db2.gz GMOKXZULDKFRBR-MRXNPFEDSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000972217685 613212407 /nfs/dbraw/zinc/21/24/07/613212407.db2.gz GMOKXZULDKFRBR-MRXNPFEDSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972573375 613212484 /nfs/dbraw/zinc/21/24/84/613212484.db2.gz VMSNJJJCDWVMHP-XJKSGUPXSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972573375 613212485 /nfs/dbraw/zinc/21/24/85/613212485.db2.gz VMSNJJJCDWVMHP-XJKSGUPXSA-N 1 2 274.364 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972295407 613213002 /nfs/dbraw/zinc/21/30/02/613213002.db2.gz TVXDVFZLTLBQEW-DZGCQCFKSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC)C2)C1 ZINC000972295407 613213003 /nfs/dbraw/zinc/21/30/03/613213003.db2.gz TVXDVFZLTLBQEW-DZGCQCFKSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC000947467853 613224470 /nfs/dbraw/zinc/22/44/70/613224470.db2.gz FXNCMUHZHLUCPA-WCQYABFASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC000947467853 613224475 /nfs/dbraw/zinc/22/44/75/613224475.db2.gz FXNCMUHZHLUCPA-WCQYABFASA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965032156 613256228 /nfs/dbraw/zinc/25/62/28/613256228.db2.gz LDPDZVQCUCALQG-GXSJLCMTSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965032156 613256231 /nfs/dbraw/zinc/25/62/31/613256231.db2.gz LDPDZVQCUCALQG-GXSJLCMTSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972799094 613285413 /nfs/dbraw/zinc/28/54/13/613285413.db2.gz QZYMVLMIBBTGKM-SNVBAGLBSA-N 1 2 278.381 0.920 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972799094 613285414 /nfs/dbraw/zinc/28/54/14/613285414.db2.gz QZYMVLMIBBTGKM-SNVBAGLBSA-N 1 2 278.381 0.920 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000949427884 613318683 /nfs/dbraw/zinc/31/86/83/613318683.db2.gz DSNIEIOFDHHMHN-SOUVJXGZSA-N 1 2 294.395 0.758 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC000957685169 613321619 /nfs/dbraw/zinc/32/16/19/613321619.db2.gz AEEKQUUGYBQUFV-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)Cl)CC1 ZINC000900585509 613328853 /nfs/dbraw/zinc/32/88/53/613328853.db2.gz RWPLTGHTUOEXQH-ZRDIBKRKSA-N 1 2 297.786 0.413 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)Cl)CC1 ZINC000900585509 613328854 /nfs/dbraw/zinc/32/88/54/613328854.db2.gz RWPLTGHTUOEXQH-ZRDIBKRKSA-N 1 2 297.786 0.413 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000854056820 613330812 /nfs/dbraw/zinc/33/08/12/613330812.db2.gz UZJQWYVUFIYSFA-UHFFFAOYSA-N 1 2 260.341 0.543 20 30 CCEDLO C#CCNC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000854056820 613330814 /nfs/dbraw/zinc/33/08/14/613330814.db2.gz UZJQWYVUFIYSFA-UHFFFAOYSA-N 1 2 260.341 0.543 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000865303882 613360046 /nfs/dbraw/zinc/36/00/46/613360046.db2.gz OKHWBIGSCHHMAI-VXGBXAGGSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C1=O ZINC000865303882 613360047 /nfs/dbraw/zinc/36/00/47/613360047.db2.gz OKHWBIGSCHHMAI-VXGBXAGGSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843879300 613365876 /nfs/dbraw/zinc/36/58/76/613365876.db2.gz WZEREJDSVTXRSD-SNVBAGLBSA-N 1 2 279.344 0.334 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977490831 613379941 /nfs/dbraw/zinc/37/99/41/613379941.db2.gz XIVBIOPJTATECW-SNVBAGLBSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 ZINC000977490831 613379942 /nfs/dbraw/zinc/37/99/42/613379942.db2.gz XIVBIOPJTATECW-SNVBAGLBSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2nccn2)C(C)(C)C1 ZINC000974627018 613381048 /nfs/dbraw/zinc/38/10/48/613381048.db2.gz UQDPFNFRQJDUIA-NSHDSACASA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nccn2)C(C)(C)C1 ZINC000974627018 613381049 /nfs/dbraw/zinc/38/10/49/613381049.db2.gz UQDPFNFRQJDUIA-NSHDSACASA-N 1 2 297.790 0.857 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000878814163 613396412 /nfs/dbraw/zinc/39/64/12/613396412.db2.gz FKJBPCGLEIDGIP-JTQLQIEISA-N 1 2 280.328 0.949 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCN(C)C(=O)OC ZINC000878951679 613396784 /nfs/dbraw/zinc/39/67/84/613396784.db2.gz OCWPYHTZOSPYKL-JTQLQIEISA-N 1 2 258.318 0.734 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCN(C)C(=O)OC ZINC000878951679 613396785 /nfs/dbraw/zinc/39/67/85/613396785.db2.gz OCWPYHTZOSPYKL-JTQLQIEISA-N 1 2 258.318 0.734 20 30 CCEDLO C=CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)C(=O)OC ZINC000905776484 613405806 /nfs/dbraw/zinc/40/58/06/613405806.db2.gz BMCDHSGVMNPANF-LLVKDONJSA-N 1 2 289.397 0.909 20 30 CCEDLO C=CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)C(=O)OC ZINC000905759387 613419135 /nfs/dbraw/zinc/41/91/35/613419135.db2.gz MLQXVYFQIUVPEJ-ZDUSSCGKSA-N 1 2 268.357 0.952 20 30 CCEDLO C=CC[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)OC ZINC000878423223 613420337 /nfs/dbraw/zinc/42/03/37/613420337.db2.gz PZIXOCYFPVNZOJ-VWYCJHECSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCn1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000842781370 613433907 /nfs/dbraw/zinc/43/39/07/613433907.db2.gz UKLVYXANPYUGSA-JTQLQIEISA-N 1 2 268.292 0.665 20 30 CCEDLO C=CCn1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)nn1 ZINC000842781370 613433910 /nfs/dbraw/zinc/43/39/10/613433910.db2.gz UKLVYXANPYUGSA-JTQLQIEISA-N 1 2 268.292 0.665 20 30 CCEDLO C=C[C@H](C)ONC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000845623056 613484599 /nfs/dbraw/zinc/48/45/99/613484599.db2.gz OWVMJINOKMDECD-NEPJUHHUSA-N 1 2 271.361 0.855 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000854220748 613486559 /nfs/dbraw/zinc/48/65/59/613486559.db2.gz ZBFUVMJRQSHHIP-GRYCIOLGSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000854220748 613486560 /nfs/dbraw/zinc/48/65/60/613486560.db2.gz ZBFUVMJRQSHHIP-GRYCIOLGSA-N 1 2 271.361 0.901 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC000941295853 613530182 /nfs/dbraw/zinc/53/01/82/613530182.db2.gz LNOVGCMYHKEGHN-ZFWWWQNUSA-N 1 2 275.396 0.494 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2nc(C)no2)CC1 ZINC000949564821 613561689 /nfs/dbraw/zinc/56/16/89/613561689.db2.gz XQAQUSRHFZCKNC-UHFFFAOYSA-N 1 2 276.340 0.478 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cncnc2)CC1 ZINC000949296000 613561974 /nfs/dbraw/zinc/56/19/74/613561974.db2.gz NZJCSQLCWCKFEM-UHFFFAOYSA-N 1 2 272.352 0.577 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896569887 613572805 /nfs/dbraw/zinc/57/28/05/613572805.db2.gz VZWDIXQNJOCDCX-QWHCGFSZSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896569887 613572807 /nfs/dbraw/zinc/57/28/07/613572807.db2.gz VZWDIXQNJOCDCX-QWHCGFSZSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883524 613573323 /nfs/dbraw/zinc/57/33/23/613573323.db2.gz KKYMMOHNNQJNGE-SNVBAGLBSA-N 1 2 253.302 0.162 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NOC)CC2)nn1 ZINC000877785969 613598483 /nfs/dbraw/zinc/59/84/83/613598483.db2.gz OQHPPOQGKYFGEF-UHFFFAOYSA-N 1 2 293.371 0.744 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)CC2CC2)nn1 ZINC000850192824 613599112 /nfs/dbraw/zinc/59/91/12/613599112.db2.gz HLWJAJPTXJTSQX-UHFFFAOYSA-N 1 2 298.412 0.769 20 30 CCEDLO C=CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H](C)COC ZINC000869237371 613606270 /nfs/dbraw/zinc/60/62/70/613606270.db2.gz GBUWPFFKWBAXND-KOLCDFICSA-N 1 2 253.302 0.493 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)OCCC)nn1 ZINC000881298508 613645223 /nfs/dbraw/zinc/64/52/23/613645223.db2.gz JJESHVMLZSOYPV-LLVKDONJSA-N 1 2 264.329 0.905 20 30 CCEDLO C=CC[N@@H+](C[C@@H](O)CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000878242830 613651214 /nfs/dbraw/zinc/65/12/14/613651214.db2.gz WKLWNMKEEKAIDO-NEPJUHHUSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[N@H+](C[C@@H](O)CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000878242830 613651216 /nfs/dbraw/zinc/65/12/16/613651216.db2.gz WKLWNMKEEKAIDO-NEPJUHHUSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)C2=COCCO2)C1 ZINC000949609107 613653030 /nfs/dbraw/zinc/65/30/30/613653030.db2.gz XVQNNJHJMJNZFO-UHFFFAOYSA-N 1 2 252.314 0.593 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC000957338335 613653577 /nfs/dbraw/zinc/65/35/77/613653577.db2.gz LDJKROJUGCJGQE-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC000957426853 613654742 /nfs/dbraw/zinc/65/47/42/613654742.db2.gz HGKWHITVOJOBOA-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 ZINC000957286710 613710441 /nfs/dbraw/zinc/71/04/41/613710441.db2.gz AOEUSUJTMKWROL-LBPRGKRZSA-N 1 2 280.372 0.250 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000949178648 613711225 /nfs/dbraw/zinc/71/12/25/613711225.db2.gz ZTDMUWBETWLGOO-GFCCVEGCSA-N 1 2 280.372 0.107 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)CC1 ZINC000949442719 613712986 /nfs/dbraw/zinc/71/29/86/613712986.db2.gz GHNPMNWLSYZPAP-OLZOCXBDSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC000951734341 613716926 /nfs/dbraw/zinc/71/69/26/613716926.db2.gz KTZHUZRWUYIQQJ-UHFFFAOYSA-N 1 2 287.323 0.379 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972613164 613723729 /nfs/dbraw/zinc/72/37/29/613723729.db2.gz ACHCTRQRNSSBCI-HOTGVXAUSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972613164 613723730 /nfs/dbraw/zinc/72/37/30/613723730.db2.gz ACHCTRQRNSSBCI-HOTGVXAUSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncn3C)C2)C1 ZINC000972453850 613724371 /nfs/dbraw/zinc/72/43/71/613724371.db2.gz QSDOEMURXNUZFH-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncn3C)C2)C1 ZINC000972453850 613724372 /nfs/dbraw/zinc/72/43/72/613724372.db2.gz QSDOEMURXNUZFH-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000972492987 613724729 /nfs/dbraw/zinc/72/47/29/613724729.db2.gz UGKIAJBLWWQKAY-AWEZNQCLSA-N 1 2 291.355 0.216 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000972492987 613724730 /nfs/dbraw/zinc/72/47/30/613724730.db2.gz UGKIAJBLWWQKAY-AWEZNQCLSA-N 1 2 291.355 0.216 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC000805470672 613804228 /nfs/dbraw/zinc/80/42/28/613804228.db2.gz SOTLTAZJBHCWOS-NWDGAFQWSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC000805470672 613804229 /nfs/dbraw/zinc/80/42/29/613804229.db2.gz SOTLTAZJBHCWOS-NWDGAFQWSA-N 1 2 282.340 0.037 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925979486 613847315 /nfs/dbraw/zinc/84/73/15/613847315.db2.gz NJRANPWWWMEXNW-VIFPVBQESA-N 1 2 251.334 0.559 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278451 613850476 /nfs/dbraw/zinc/85/04/76/613850476.db2.gz OTMCZVSOTNZTLR-SNVBAGLBSA-N 1 2 294.311 0.389 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCSCC1 ZINC000884117573 613878283 /nfs/dbraw/zinc/87/82/83/613878283.db2.gz GAESCEFYRIQCQY-JTQLQIEISA-N 1 2 272.370 0.445 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cnc(C)s1 ZINC000884196182 613877353 /nfs/dbraw/zinc/87/73/53/613877353.db2.gz KGCQDJDAWPLGFB-NSHDSACASA-N 1 2 297.380 0.857 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(=C)CC1 ZINC000884381016 613877428 /nfs/dbraw/zinc/87/74/28/613877428.db2.gz SCARMZIKWGYIGX-NSHDSACASA-N 1 2 252.314 0.612 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCn2nccc21 ZINC000884309176 613877546 /nfs/dbraw/zinc/87/75/46/613877546.db2.gz OJPPRXNVYLQPCT-JTQLQIEISA-N 1 2 278.312 0.066 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCSCC1 ZINC000884251357 613877602 /nfs/dbraw/zinc/87/76/02/613877602.db2.gz CZKWNBBUHISINQ-JTQLQIEISA-N 1 2 272.370 0.399 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000884413020 613877799 /nfs/dbraw/zinc/87/77/99/613877799.db2.gz HKDZQAJBULVERE-WFASDCNBSA-N 1 2 296.367 0.462 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(COC)CCCCC1 ZINC000884421002 613877957 /nfs/dbraw/zinc/87/79/57/613877957.db2.gz JNVMBOAMLZZNDP-LBPRGKRZSA-N 1 2 298.383 0.899 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000884053403 613878002 /nfs/dbraw/zinc/87/80/02/613878002.db2.gz VPPKWTJJUXHTCB-UTUOFQBUSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000884144063 613878004 /nfs/dbraw/zinc/87/80/04/613878004.db2.gz ZRGZKWOGONICOL-MXWKQRLJSA-N 1 2 254.330 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000884144061 613878095 /nfs/dbraw/zinc/87/80/95/613878095.db2.gz ZRGZKWOGONICOL-AXFHLTTASA-N 1 2 254.330 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccoc1 ZINC000884407017 613878245 /nfs/dbraw/zinc/87/82/45/613878245.db2.gz PAUDXBZKVWIJNA-NSHDSACASA-N 1 2 266.297 0.385 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000884413677 613878396 /nfs/dbraw/zinc/87/83/96/613878396.db2.gz ZPILAAHAZRXMSD-IUCAKERBSA-N 1 2 290.310 0.841 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000884173712 613878521 /nfs/dbraw/zinc/87/85/21/613878521.db2.gz CJORFZAFLUESFA-RVMXOQNASA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000884168271 613878824 /nfs/dbraw/zinc/87/88/24/613878824.db2.gz BTYQFXWCQWTHIW-AXFHLTTASA-N 1 2 284.356 0.363 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]1C ZINC000884127666 613878840 /nfs/dbraw/zinc/87/88/40/613878840.db2.gz JUQPGKAUIBNOQV-VWYCJHECSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCONC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000838711863 613883909 /nfs/dbraw/zinc/88/39/09/613883909.db2.gz VQYWURFURUIXNU-NWDGAFQWSA-N 1 2 269.345 0.609 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825130464 614186872 /nfs/dbraw/zinc/18/68/72/614186872.db2.gz AKOGENDXCWVGSP-LBPRGKRZSA-N 1 2 275.356 0.645 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@H]1CCN(O)C1=O)n1cc[nH+]c1 ZINC000820132313 614210751 /nfs/dbraw/zinc/21/07/51/614210751.db2.gz PDYVBPKVKZNACA-WDEREUQCSA-N 1 2 280.328 0.577 20 30 CCEDLO CC(C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932351731 614288640 /nfs/dbraw/zinc/28/86/40/614288640.db2.gz FBUXODBIIJETBY-NEPJUHHUSA-N 1 2 281.356 0.285 20 30 CCEDLO CC1CCC(N(C)C(=O)CO[NH+]=C(N)CCO)CC1 ZINC000121422674 614421994 /nfs/dbraw/zinc/42/19/94/614421994.db2.gz YKLNBUXOXAFNGO-UHFFFAOYSA-N 1 2 271.361 0.695 20 30 CCEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000975098995 614609317 /nfs/dbraw/zinc/60/93/17/614609317.db2.gz UAMZLZSPPBQEOF-LLVKDONJSA-N 1 2 261.329 0.302 20 30 CCEDLO CC1(C)OC[C@H](C[NH+]2CCN(C(=O)CC#N)CC2)O1 ZINC000852125156 614833700 /nfs/dbraw/zinc/83/37/00/614833700.db2.gz DOFZYSDAMGXWQP-NSHDSACASA-N 1 2 267.329 0.196 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCCSCC#N)C1 ZINC000805475300 615185245 /nfs/dbraw/zinc/18/52/45/615185245.db2.gz NAZSZKKALZURES-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCCCSCC#N)C1 ZINC000805475300 615185246 /nfs/dbraw/zinc/18/52/46/615185246.db2.gz NAZSZKKALZURES-NSHDSACASA-N 1 2 272.370 0.897 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000874703860 615566875 /nfs/dbraw/zinc/56/68/75/615566875.db2.gz ZIOJRPWWDBJRRK-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCOCC1 ZINC000874703860 615566876 /nfs/dbraw/zinc/56/68/76/615566876.db2.gz ZIOJRPWWDBJRRK-CYBMUJFWSA-N 1 2 295.383 0.534 20 30 CCEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCC(NCC#N)CC1 ZINC000964185158 615827590 /nfs/dbraw/zinc/82/75/90/615827590.db2.gz LUPZHXIBJKLCFU-UHFFFAOYSA-N 1 2 289.383 0.845 20 30 CCEDLO CN(C)C(=S)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811642103 615838759 /nfs/dbraw/zinc/83/87/59/615838759.db2.gz FPGZPVVXGUWYEU-UHFFFAOYSA-N 1 2 254.363 0.256 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000967977133 615839929 /nfs/dbraw/zinc/83/99/29/615839929.db2.gz YYJPHIXIVJURQS-NXEZZACHSA-N 1 2 277.328 0.482 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000913519463 615859468 /nfs/dbraw/zinc/85/94/68/615859468.db2.gz BBXTYNBGPOBJMA-LLVKDONJSA-N 1 2 260.341 0.511 20 30 CCEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NCCC#N ZINC000844388528 615912150 /nfs/dbraw/zinc/91/21/50/615912150.db2.gz SOTQSUXGHYZVIT-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NCCC#N ZINC000844388528 615912151 /nfs/dbraw/zinc/91/21/51/615912151.db2.gz SOTQSUXGHYZVIT-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000874711836 615927195 /nfs/dbraw/zinc/92/71/95/615927195.db2.gz NJMHFOCPRWIBTG-DZGCQCFKSA-N 1 2 295.383 0.534 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000874711836 615927199 /nfs/dbraw/zinc/92/71/99/615927199.db2.gz NJMHFOCPRWIBTG-DZGCQCFKSA-N 1 2 295.383 0.534 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971997342 616040067 /nfs/dbraw/zinc/04/00/67/616040067.db2.gz LGLYDPKKUPHQSU-GFCCVEGCSA-N 1 2 275.356 0.409 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972733482 616040263 /nfs/dbraw/zinc/04/02/63/616040263.db2.gz RKQNQLRAOGIAFJ-LLVKDONJSA-N 1 2 261.329 0.019 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730584 616040896 /nfs/dbraw/zinc/04/08/96/616040896.db2.gz XTXKYAHMVGSDBH-NSHDSACASA-N 1 2 275.356 0.744 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712173 616068158 /nfs/dbraw/zinc/06/81/58/616068158.db2.gz VLMCINQIDBEHPD-LLVKDONJSA-N 1 2 292.380 0.100 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712173 616068159 /nfs/dbraw/zinc/06/81/59/616068159.db2.gz VLMCINQIDBEHPD-LLVKDONJSA-N 1 2 292.380 0.100 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2cncc(C=O)c2)CC1 ZINC000932178483 616166043 /nfs/dbraw/zinc/16/60/43/616166043.db2.gz NKRKUFGYSNNRNC-UHFFFAOYSA-N 1 2 272.308 0.612 20 30 CCEDLO C[N@@H+]1CCC[C@](O)(CC(=O)NOc2cccc(C#N)c2)C1 ZINC000913666582 616218782 /nfs/dbraw/zinc/21/87/82/616218782.db2.gz DFTMBBZOOHQRBE-HNNXBMFYSA-N 1 2 289.335 0.815 20 30 CCEDLO C[N@H+]1CCC[C@](O)(CC(=O)NOc2cccc(C#N)c2)C1 ZINC000913666582 616218783 /nfs/dbraw/zinc/21/87/83/616218783.db2.gz DFTMBBZOOHQRBE-HNNXBMFYSA-N 1 2 289.335 0.815 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1CO ZINC000913542365 616229053 /nfs/dbraw/zinc/22/90/53/616229053.db2.gz INAQPWAZPNSJEA-SWLSCSKDSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1CO ZINC000913542365 616229054 /nfs/dbraw/zinc/22/90/54/616229054.db2.gz INAQPWAZPNSJEA-SWLSCSKDSA-N 1 2 277.368 0.595 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H](CO)C1 ZINC000912736761 616229475 /nfs/dbraw/zinc/22/94/75/616229475.db2.gz BTXDFJDJQDXRRQ-LLVKDONJSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H](CO)C1 ZINC000912736761 616229476 /nfs/dbraw/zinc/22/94/76/616229476.db2.gz BTXDFJDJQDXRRQ-LLVKDONJSA-N 1 2 277.299 0.446 20 30 CCEDLO COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895157244 616322927 /nfs/dbraw/zinc/32/29/27/616322927.db2.gz NWRLVVVBXMCFIA-ZHRWSRJISA-N 1 2 294.307 0.936 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000878337387 616372662 /nfs/dbraw/zinc/37/26/62/616372662.db2.gz AZZGMZDWGOLEIR-UHFFFAOYSA-N 1 2 264.281 0.651 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000871343918 616545985 /nfs/dbraw/zinc/54/59/85/616545985.db2.gz KPKUXJIQAHBRGR-NSHDSACASA-N 1 2 290.323 0.361 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000811215964 616613800 /nfs/dbraw/zinc/61/38/00/616613800.db2.gz GDODTSRKKJOIOX-LBPRGKRZSA-N 1 2 299.290 0.121 20 30 CCEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886158100 616636979 /nfs/dbraw/zinc/63/69/79/616636979.db2.gz RHUQFKCPNDSRHU-VXGBXAGGSA-N 1 2 266.341 0.972 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922240493 616832412 /nfs/dbraw/zinc/83/24/12/616832412.db2.gz GXUNAHYNRANENO-WDEREUQCSA-N 1 2 286.378 0.521 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000856752747 617016413 /nfs/dbraw/zinc/01/64/13/617016413.db2.gz LWOSRLSJCPJSNQ-ZDUSSCGKSA-N 1 2 297.380 0.073 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000856752747 617016416 /nfs/dbraw/zinc/01/64/16/617016416.db2.gz LWOSRLSJCPJSNQ-ZDUSSCGKSA-N 1 2 297.380 0.073 20 30 CCEDLO CON=CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000809717728 617104096 /nfs/dbraw/zinc/10/40/96/617104096.db2.gz AJGLMGUXQISOCQ-MNOVXSKESA-N 1 2 250.302 0.925 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972561961 623024451 /nfs/dbraw/zinc/02/44/51/623024451.db2.gz XBIAKILXJKHAPO-FMKPAKJESA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972561961 623024459 /nfs/dbraw/zinc/02/44/59/623024459.db2.gz XBIAKILXJKHAPO-FMKPAKJESA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001023573262 623068243 /nfs/dbraw/zinc/06/82/43/623068243.db2.gz WOOVIFCUDKKZLB-JTQLQIEISA-N 1 2 264.304 0.624 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001023573262 623068251 /nfs/dbraw/zinc/06/82/51/623068251.db2.gz WOOVIFCUDKKZLB-JTQLQIEISA-N 1 2 264.304 0.624 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969910523 624555178 /nfs/dbraw/zinc/55/51/78/624555178.db2.gz GOKHXYLBKHJAOB-MNOVXSKESA-N 1 2 273.340 0.544 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932892452 624793540 /nfs/dbraw/zinc/79/35/40/624793540.db2.gz VRKFTCAUWOLIQQ-NEPJUHHUSA-N 1 2 279.340 0.039 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891902253 624990234 /nfs/dbraw/zinc/99/02/34/624990234.db2.gz RHUTYBXLRKNYSW-OLZOCXBDSA-N 1 2 283.347 0.761 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]1CO ZINC000934022408 625004715 /nfs/dbraw/zinc/00/47/15/625004715.db2.gz LZLDJWMCDPYKCW-MFKMUULPSA-N 1 2 259.309 0.952 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]1CO ZINC000934022408 625004717 /nfs/dbraw/zinc/00/47/17/625004717.db2.gz LZLDJWMCDPYKCW-MFKMUULPSA-N 1 2 259.309 0.952 20 30 CCEDLO Cn1nccc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981124269 631237361 /nfs/dbraw/zinc/23/73/61/631237361.db2.gz KDVVLUOGXNAPBI-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO Cn1nccc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981124269 631237370 /nfs/dbraw/zinc/23/73/70/631237370.db2.gz KDVVLUOGXNAPBI-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](NCC#N)C1 ZINC000981458359 631280903 /nfs/dbraw/zinc/28/09/03/631280903.db2.gz WUFOQCBGYQFXEX-VXGBXAGGSA-N 1 2 275.356 0.503 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969092381 650039652 /nfs/dbraw/zinc/03/96/52/650039652.db2.gz SZDUJHZMHHNZRB-LLVKDONJSA-N 1 2 269.308 0.891 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2ccc(Cl)nn2)CCCN1O ZINC000895157839 631991516 /nfs/dbraw/zinc/99/15/16/631991516.db2.gz FSLHQRKBZVHJGX-MRVPVSSYSA-N 1 2 256.693 0.600 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918924 650057490 /nfs/dbraw/zinc/05/74/90/650057490.db2.gz GJJQSDCTBDFLII-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918924 650057493 /nfs/dbraw/zinc/05/74/93/650057493.db2.gz GJJQSDCTBDFLII-GHMZBOCLSA-N 1 2 285.775 0.598 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687133 650087839 /nfs/dbraw/zinc/08/78/39/650087839.db2.gz MIOTZLJYRMHYGH-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001007834516 650094857 /nfs/dbraw/zinc/09/48/57/650094857.db2.gz WIOUNXHLABWLNW-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001007834516 650094859 /nfs/dbraw/zinc/09/48/59/650094859.db2.gz WIOUNXHLABWLNW-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988828397 633120656 /nfs/dbraw/zinc/12/06/56/633120656.db2.gz WULDUDFDOYHGAA-MFKMUULPSA-N 1 2 288.351 0.870 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989672872 633343640 /nfs/dbraw/zinc/34/36/40/633343640.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989672872 633343642 /nfs/dbraw/zinc/34/36/42/633343642.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CCN1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989672872 633343645 /nfs/dbraw/zinc/34/36/45/633343645.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989672872 633343647 /nfs/dbraw/zinc/34/36/47/633343647.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989672872 633343649 /nfs/dbraw/zinc/34/36/49/633343649.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000898886602 633682622 /nfs/dbraw/zinc/68/26/22/633682622.db2.gz GPGBSBOUUKTUNO-ZDUSSCGKSA-N 1 2 284.319 0.684 20 30 CCEDLO N#Cc1ccnc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000900080262 633943488 /nfs/dbraw/zinc/94/34/88/633943488.db2.gz IMNARNSLFWELCP-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001009076205 650137033 /nfs/dbraw/zinc/13/70/33/650137033.db2.gz XMKZKBRSWXHUAD-ZDUSSCGKSA-N 1 2 287.363 0.901 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001009076205 650137036 /nfs/dbraw/zinc/13/70/36/650137036.db2.gz XMKZKBRSWXHUAD-ZDUSSCGKSA-N 1 2 287.363 0.901 20 30 CCEDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccc(C#CCO)c1 ZINC000908759933 635449530 /nfs/dbraw/zinc/44/95/30/635449530.db2.gz JHJXOUHHOJDUTL-AWEZNQCLSA-N 1 2 281.315 0.582 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)n1 ZINC000913453367 636810904 /nfs/dbraw/zinc/81/09/04/636810904.db2.gz LLDLMPZTBHRWKC-CYBMUJFWSA-N 1 2 282.307 0.463 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)C#CC(C)(C)C)CC[NH2+]2)cn1 ZINC000913460451 636813727 /nfs/dbraw/zinc/81/37/27/636813727.db2.gz NZDLKRZVSJAJSC-ZDUSSCGKSA-N 1 2 274.368 0.943 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001015672312 637814647 /nfs/dbraw/zinc/81/46/47/637814647.db2.gz QPUDZSIHSBHMSV-MNOVXSKESA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001015672312 637814649 /nfs/dbraw/zinc/81/46/49/637814649.db2.gz QPUDZSIHSBHMSV-MNOVXSKESA-N 1 2 265.357 0.407 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993747933 637841206 /nfs/dbraw/zinc/84/12/06/637841206.db2.gz OXASFCJONVOSPH-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993747933 637841209 /nfs/dbraw/zinc/84/12/09/637841209.db2.gz OXASFCJONVOSPH-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994918604 638333561 /nfs/dbraw/zinc/33/35/61/638333561.db2.gz UYAMLVQBFGIYRW-UHFFFAOYSA-N 1 2 290.367 0.812 20 30 CCEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC000939535060 638375847 /nfs/dbraw/zinc/37/58/47/638375847.db2.gz OVAADMJQPCKHAL-WDEREUQCSA-N 1 2 275.356 0.647 20 30 CCEDLO C#CCOCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181619888 638396306 /nfs/dbraw/zinc/39/63/06/638396306.db2.gz PRXAAQVTGYDJBH-LBPRGKRZSA-N 1 2 255.314 0.290 20 30 CCEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NCC#N ZINC000996354410 638816457 /nfs/dbraw/zinc/81/64/57/638816457.db2.gz HKELMVSZLMUTGO-NSHDSACASA-N 1 2 261.329 0.302 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538554 638984981 /nfs/dbraw/zinc/98/49/81/638984981.db2.gz YHTWQPWMTSZJIF-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014812620 650491189 /nfs/dbraw/zinc/49/11/89/650491189.db2.gz UIGXKAXCTPHRCR-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014812620 650491191 /nfs/dbraw/zinc/49/11/91/650491191.db2.gz UIGXKAXCTPHRCR-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014984366 650510994 /nfs/dbraw/zinc/51/09/94/650510994.db2.gz SLIWWHMERPHVHF-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968429 650508875 /nfs/dbraw/zinc/50/88/75/650508875.db2.gz OCFGPSUPKSVEIS-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001014968429 650508876 /nfs/dbraw/zinc/50/88/76/650508876.db2.gz OCFGPSUPKSVEIS-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015195400 650537392 /nfs/dbraw/zinc/53/73/92/650537392.db2.gz QMFXXCOYOLQRLC-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015195400 650537393 /nfs/dbraw/zinc/53/73/93/650537393.db2.gz QMFXXCOYOLQRLC-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000801912382 640672917 /nfs/dbraw/zinc/67/29/17/640672917.db2.gz OWNLOTXGKLFYQR-RISCZKNCSA-N 1 2 273.336 0.827 20 30 CCEDLO C[C@H](C#N)OCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000801912382 640672924 /nfs/dbraw/zinc/67/29/24/640672924.db2.gz OWNLOTXGKLFYQR-RISCZKNCSA-N 1 2 273.336 0.827 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000801930462 640675770 /nfs/dbraw/zinc/67/57/70/640675770.db2.gz QPXIFKSGVCIPDY-CYBMUJFWSA-N 1 2 288.351 0.768 20 30 CCEDLO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000809578290 640901409 /nfs/dbraw/zinc/90/14/09/640901409.db2.gz KSKNSNSQFUFPCH-CHWSQXEVSA-N 1 2 282.365 0.636 20 30 CCEDLO C[C@H]1C[N@H+](CCOC(=O)CC2(C#N)CC2)CCO1 ZINC000815413265 641110561 /nfs/dbraw/zinc/11/05/61/641110561.db2.gz KJHJXTGNHYAUEM-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C[C@H]1C[N@@H+](CCOC(=O)CC2(C#N)CC2)CCO1 ZINC000815413265 641110564 /nfs/dbraw/zinc/11/05/64/641110564.db2.gz KJHJXTGNHYAUEM-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015906833 650654248 /nfs/dbraw/zinc/65/42/48/650654248.db2.gz AZDFRLUYAUJOFK-SNVBAGLBSA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015906833 650654250 /nfs/dbraw/zinc/65/42/50/650654250.db2.gz AZDFRLUYAUJOFK-SNVBAGLBSA-N 1 2 296.758 0.670 20 30 CCEDLO C#C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000820412743 641504418 /nfs/dbraw/zinc/50/44/18/641504418.db2.gz PCMRUZQPNOCLJR-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016140907 650689772 /nfs/dbraw/zinc/68/97/72/650689772.db2.gz IZQYVMAXEZYJAE-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001016140907 650689773 /nfs/dbraw/zinc/68/97/73/650689773.db2.gz IZQYVMAXEZYJAE-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@H+](C)CCO1 ZINC000827377992 642002697 /nfs/dbraw/zinc/00/26/97/642002697.db2.gz JTUYUZNINJRYIV-AAEUAGOBSA-N 1 2 278.377 0.935 20 30 CCEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827377992 642002701 /nfs/dbraw/zinc/00/27/01/642002701.db2.gz JTUYUZNINJRYIV-AAEUAGOBSA-N 1 2 278.377 0.935 20 30 CCEDLO C[C@H]1CC(NC(=O)C=CC[NH+]2CCOCC2)=NO1 ZINC000867063240 642174660 /nfs/dbraw/zinc/17/46/60/642174660.db2.gz RRRASKADYPPFSG-PBKGFPTLSA-N 1 2 253.302 0.113 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830239917 642247080 /nfs/dbraw/zinc/24/70/80/642247080.db2.gz AWVCFKSKBXNZKG-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830239917 642247082 /nfs/dbraw/zinc/24/70/82/642247082.db2.gz AWVCFKSKBXNZKG-LBPRGKRZSA-N 1 2 251.330 0.517 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1CO[NH+]=C(N)CCO ZINC000842040885 642873358 /nfs/dbraw/zinc/87/33/58/642873358.db2.gz OZKMWKVGHQSAQO-UHFFFAOYSA-N 1 2 264.241 0.847 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001017424210 650801723 /nfs/dbraw/zinc/80/17/23/650801723.db2.gz NXKJIIOZYXGBIB-OKILXGFUSA-N 1 2 273.336 0.834 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001017424210 650801724 /nfs/dbraw/zinc/80/17/24/650801724.db2.gz NXKJIIOZYXGBIB-OKILXGFUSA-N 1 2 273.336 0.834 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 ZINC001017472152 650804265 /nfs/dbraw/zinc/80/42/65/650804265.db2.gz WRNXIFMNTQCYID-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 ZINC001017472152 650804268 /nfs/dbraw/zinc/80/42/68/650804268.db2.gz WRNXIFMNTQCYID-MCIONIFRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cnn1C ZINC001017557689 650810915 /nfs/dbraw/zinc/81/09/15/650810915.db2.gz IQHCLNQTYMQBDK-PHIMTYICSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cnn1C ZINC001017557689 650810918 /nfs/dbraw/zinc/81/09/18/650810918.db2.gz IQHCLNQTYMQBDK-PHIMTYICSA-N 1 2 292.770 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)CCC2 ZINC001017564719 650811445 /nfs/dbraw/zinc/81/14/45/650811445.db2.gz QOYPJOGXPUBWQN-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)CCC2 ZINC001017564719 650811448 /nfs/dbraw/zinc/81/14/48/650811448.db2.gz QOYPJOGXPUBWQN-BETUJISGSA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc(C)o1 ZINC001017613267 650813301 /nfs/dbraw/zinc/81/33/01/650813301.db2.gz VMXFTPBFWBSFBE-BETUJISGSA-N 1 2 273.336 0.834 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc(C)o1 ZINC001017613267 650813303 /nfs/dbraw/zinc/81/33/03/650813303.db2.gz VMXFTPBFWBSFBE-BETUJISGSA-N 1 2 273.336 0.834 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncn1C ZINC001017708957 650818528 /nfs/dbraw/zinc/81/85/28/650818528.db2.gz AZZOBBSQGXYUID-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncn1C ZINC001017708957 650818530 /nfs/dbraw/zinc/81/85/30/650818530.db2.gz AZZOBBSQGXYUID-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001017681470 650817269 /nfs/dbraw/zinc/81/72/69/650817269.db2.gz OVIKSORTCJISOW-MCIONIFRSA-N 1 2 299.378 0.644 20 30 CCEDLO C[C@@H](CC(=O)OCC(=O)NC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845285212 643299678 /nfs/dbraw/zinc/29/96/78/643299678.db2.gz QCISCGIXNIINQJ-NSHDSACASA-N 1 2 290.323 0.940 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@@H]1C ZINC001017908433 650834232 /nfs/dbraw/zinc/83/42/32/650834232.db2.gz DHVJIDOJZXEEMO-XQLPTFJDSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@@H]1C ZINC001017908433 650834235 /nfs/dbraw/zinc/83/42/35/650834235.db2.gz DHVJIDOJZXEEMO-XQLPTFJDSA-N 1 2 276.380 0.967 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846954322 643474786 /nfs/dbraw/zinc/47/47/86/643474786.db2.gz IKAYJUJLUMOISO-HNNXBMFYSA-N 1 2 298.346 0.650 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001018091071 650842945 /nfs/dbraw/zinc/84/29/45/650842945.db2.gz CRWDOSZUVKEVJY-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001018091071 650842948 /nfs/dbraw/zinc/84/29/48/650842948.db2.gz CRWDOSZUVKEVJY-BETUJISGSA-N 1 2 270.336 0.789 20 30 CCEDLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCN(O)C1=O ZINC000848131140 643599351 /nfs/dbraw/zinc/59/93/51/643599351.db2.gz ZFVYQYGBFQPBES-NSHDSACASA-N 1 2 292.339 0.258 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CCC3=O)C2)nc1 ZINC000857236490 644487833 /nfs/dbraw/zinc/48/78/33/644487833.db2.gz FKTGLUGLIJRAQO-LBPRGKRZSA-N 1 2 272.308 0.596 20 30 CCEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CCC3=O)C2)nc1 ZINC000857236490 644487837 /nfs/dbraw/zinc/48/78/37/644487837.db2.gz FKTGLUGLIJRAQO-LBPRGKRZSA-N 1 2 272.308 0.596 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001019061239 650934710 /nfs/dbraw/zinc/93/47/10/650934710.db2.gz VVXRXWYPKGLLPX-RYUDHWBXSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000279230892 650977563 /nfs/dbraw/zinc/97/75/63/650977563.db2.gz OZBBPSSQIMRGAA-ZDUSSCGKSA-N 1 2 297.362 0.213 20 30 CCEDLO N#CCCn1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC000865942633 645443182 /nfs/dbraw/zinc/44/31/82/645443182.db2.gz WJKIWPWGADHKHS-HNQUOIGGSA-N 1 2 289.339 0.624 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000866546862 645544040 /nfs/dbraw/zinc/54/40/40/645544040.db2.gz YOFKCSNHSWHFAY-UKRRQHHQSA-N 1 2 293.367 0.240 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C#N ZINC000874700552 646483570 /nfs/dbraw/zinc/48/35/70/646483570.db2.gz KKVAGXJLFJLTTA-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C#N ZINC000874700552 646483573 /nfs/dbraw/zinc/48/35/73/646483573.db2.gz KKVAGXJLFJLTTA-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO Cc1nc2cccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2[nH]1 ZINC000876803359 646670167 /nfs/dbraw/zinc/67/01/67/646670167.db2.gz VYZXKJMEDATZNZ-SKDRFNHKSA-N 1 2 269.308 0.713 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1CCC2(CC1)OCCO2 ZINC000878817325 646985567 /nfs/dbraw/zinc/98/55/67/646985567.db2.gz CQYXSJJVONOEKI-NSHDSACASA-N 1 2 281.356 0.680 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC#N ZINC000879223019 647037359 /nfs/dbraw/zinc/03/73/59/647037359.db2.gz QZRDYQJZBVPADG-QWRGUYRKSA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC#N ZINC000879223019 647037364 /nfs/dbraw/zinc/03/73/64/647037364.db2.gz QZRDYQJZBVPADG-QWRGUYRKSA-N 1 2 296.371 0.614 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1CCCCCC1 ZINC000136067390 647866905 /nfs/dbraw/zinc/86/69/05/647866905.db2.gz QJPPCVPRAWABMN-SNVBAGLBSA-N 1 2 257.334 0.449 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934584255 649181899 /nfs/dbraw/zinc/18/18/99/649181899.db2.gz ZKOUOZFERHJPMJ-BPLDGKMQSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934584255 649181902 /nfs/dbraw/zinc/18/19/02/649181902.db2.gz ZKOUOZFERHJPMJ-BPLDGKMQSA-N 1 2 294.326 0.703 20 30 CCEDLO CCOCCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914911 649728752 /nfs/dbraw/zinc/72/87/52/649728752.db2.gz IRJZWTNHFUBDFH-UHFFFAOYSA-N 1 2 280.328 0.066 20 30 CCEDLO C=CC[NH+]1CCN(c2ncnc(Cl)c2C(N)=O)CC1 ZINC001165031292 721868246 /nfs/dbraw/zinc/86/82/46/721868246.db2.gz BZKXUDMGDQWXCI-UHFFFAOYSA-N 1 2 281.747 0.537 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3C)[C@H]2C1 ZINC001083186278 790398910 /nfs/dbraw/zinc/39/89/10/790398910.db2.gz JZWFWSZINFUFNH-LSDHHAIUSA-N 1 2 287.363 0.492 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)c3C)[C@H]2C1 ZINC001083186278 790398922 /nfs/dbraw/zinc/39/89/22/790398922.db2.gz JZWFWSZINFUFNH-LSDHHAIUSA-N 1 2 287.363 0.492 20 30 CCEDLO C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001266294504 790444333 /nfs/dbraw/zinc/44/43/33/790444333.db2.gz AAKKVMAYCJCGRH-UONOGXRCSA-N 1 2 278.400 0.680 20 30 CCEDLO Cn1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)n1 ZINC001266460732 790755029 /nfs/dbraw/zinc/75/50/29/790755029.db2.gz CGHOFZKVWLNOEL-OAHLLOKOSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)n1 ZINC001266460732 790755039 /nfs/dbraw/zinc/75/50/39/790755039.db2.gz CGHOFZKVWLNOEL-OAHLLOKOSA-N 1 2 286.379 0.914 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C ZINC001266475724 790769790 /nfs/dbraw/zinc/76/97/90/790769790.db2.gz KDJDIXQOOXLDBQ-BYNSBNAKSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C ZINC001266475724 790769801 /nfs/dbraw/zinc/76/98/01/790769801.db2.gz KDJDIXQOOXLDBQ-BYNSBNAKSA-N 1 2 276.380 0.967 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125370436 790801484 /nfs/dbraw/zinc/80/14/84/790801484.db2.gz OOSRPCIXCLCOAH-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC001230766354 805662455 /nfs/dbraw/zinc/66/24/55/805662455.db2.gz UVLHIXYRMGFOCA-CQSZACIVSA-N 1 2 289.379 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC001230766354 805662461 /nfs/dbraw/zinc/66/24/61/805662461.db2.gz UVLHIXYRMGFOCA-CQSZACIVSA-N 1 2 289.379 0.821 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3coc(CO)cc3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231281686 805768279 /nfs/dbraw/zinc/76/82/79/805768279.db2.gz RVYYEKSUUWCVHB-LEGMNPEXSA-N 1 2 279.292 0.123 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3coc(CO)cc3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231281686 805768286 /nfs/dbraw/zinc/76/82/86/805768286.db2.gz RVYYEKSUUWCVHB-LEGMNPEXSA-N 1 2 279.292 0.123 20 30 CCEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277665928 805938667 /nfs/dbraw/zinc/93/86/67/805938667.db2.gz IQVQIAAMFWBRRY-UHFFFAOYSA-N 1 2 284.400 0.740 20 30 CCEDLO C#CC[NH+]1CCN(Cc2[nH]cnc2C(=O)OCC)CC1 ZINC001232920358 805997024 /nfs/dbraw/zinc/99/70/24/805997024.db2.gz RJONKDOQLBDUDS-UHFFFAOYSA-N 1 2 276.340 0.337 20 30 CCEDLO N#Cc1ccc(C[NH+]2CC3(C2)CS(=O)C3)c(O)c1 ZINC001233384119 806053864 /nfs/dbraw/zinc/05/38/64/806053864.db2.gz HNKCOWLOQZCOGT-UHFFFAOYSA-N 1 2 262.334 0.828 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233489230 806063648 /nfs/dbraw/zinc/06/36/48/806063648.db2.gz KAAURRFLFHMDMJ-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233489230 806063654 /nfs/dbraw/zinc/06/36/54/806063654.db2.gz KAAURRFLFHMDMJ-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233561609 806082571 /nfs/dbraw/zinc/08/25/71/806082571.db2.gz SYTBXHIOJIZBAY-LLVKDONJSA-N 1 2 263.345 0.456 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233561609 806082581 /nfs/dbraw/zinc/08/25/81/806082581.db2.gz SYTBXHIOJIZBAY-LLVKDONJSA-N 1 2 263.345 0.456 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571130 806084487 /nfs/dbraw/zinc/08/44/87/806084487.db2.gz SICBEUKXYSBXKO-NAICIEFVSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571130 806084496 /nfs/dbraw/zinc/08/44/96/806084496.db2.gz SICBEUKXYSBXKO-NAICIEFVSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001233957249 806156571 /nfs/dbraw/zinc/15/65/71/806156571.db2.gz KGJZKOHOEIYFHH-AWEZNQCLSA-N 1 2 293.411 0.801 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001233957249 806156573 /nfs/dbraw/zinc/15/65/73/806156573.db2.gz KGJZKOHOEIYFHH-AWEZNQCLSA-N 1 2 293.411 0.801 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195604 806202850 /nfs/dbraw/zinc/20/28/50/806202850.db2.gz MCTSLGRWMXUBIT-STQMWFEESA-N 1 2 277.368 0.196 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234195604 806202858 /nfs/dbraw/zinc/20/28/58/806202858.db2.gz MCTSLGRWMXUBIT-STQMWFEESA-N 1 2 277.368 0.196 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216632 806204098 /nfs/dbraw/zinc/20/40/98/806204098.db2.gz ZKJSQGJHJQGZEF-QWHCGFSZSA-N 1 2 293.411 0.703 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216632 806204102 /nfs/dbraw/zinc/20/41/02/806204102.db2.gz ZKJSQGJHJQGZEF-QWHCGFSZSA-N 1 2 293.411 0.703 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001234267394 806214552 /nfs/dbraw/zinc/21/45/52/806214552.db2.gz YMNSHKFSOVEVJF-VXGBXAGGSA-N 1 2 256.321 0.527 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001234267394 806214556 /nfs/dbraw/zinc/21/45/56/806214556.db2.gz YMNSHKFSOVEVJF-VXGBXAGGSA-N 1 2 256.321 0.527 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001235682741 806491020 /nfs/dbraw/zinc/49/10/20/806491020.db2.gz ALBFNTPEQVUJQD-LBPRGKRZSA-N 1 2 295.387 0.517 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001235682741 806491023 /nfs/dbraw/zinc/49/10/23/806491023.db2.gz ALBFNTPEQVUJQD-LBPRGKRZSA-N 1 2 295.387 0.517 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nccn1C ZINC001235698999 806494797 /nfs/dbraw/zinc/49/47/97/806494797.db2.gz RXKBMKNAKVZEKS-UHFFFAOYSA-N 1 2 280.372 0.561 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nccn1C ZINC001235698999 806494801 /nfs/dbraw/zinc/49/48/01/806494801.db2.gz RXKBMKNAKVZEKS-UHFFFAOYSA-N 1 2 280.372 0.561 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C1CC1 ZINC001121609655 799059690 /nfs/dbraw/zinc/05/96/90/799059690.db2.gz MJEDDFHHNWNLKZ-RYUDHWBXSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)C1CC1 ZINC001121609655 799059694 /nfs/dbraw/zinc/05/96/94/799059694.db2.gz MJEDDFHHNWNLKZ-RYUDHWBXSA-N 1 2 277.372 0.800 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCOCC1 ZINC001121609866 799059787 /nfs/dbraw/zinc/05/97/87/799059787.db2.gz OZBSWKWNNWSDKX-NEPJUHHUSA-N 1 2 293.371 0.038 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCOCC1 ZINC001121609866 799059791 /nfs/dbraw/zinc/05/97/91/799059791.db2.gz OZBSWKWNNWSDKX-NEPJUHHUSA-N 1 2 293.371 0.038 20 30 CCEDLO CC#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC001278138726 806714762 /nfs/dbraw/zinc/71/47/62/806714762.db2.gz ODQGPLZPZSYMRD-CQSZACIVSA-N 1 2 293.367 0.743 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001122442796 799236286 /nfs/dbraw/zinc/23/62/86/799236286.db2.gz AEONUARMRDBHFJ-ZDUSSCGKSA-N 1 2 291.399 0.978 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123795169 799476653 /nfs/dbraw/zinc/47/66/53/799476653.db2.gz PXDRNKOCEDWDEU-NWDGAFQWSA-N 1 2 254.378 0.448 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001123795169 799476656 /nfs/dbraw/zinc/47/66/56/799476656.db2.gz PXDRNKOCEDWDEU-NWDGAFQWSA-N 1 2 254.378 0.448 20 30 CCEDLO C#CCn1cc(CNC(=O)CCc2[nH+]ccn2C)cn1 ZINC001123856020 799487489 /nfs/dbraw/zinc/48/74/89/799487489.db2.gz LZUBSUOXSOUTNU-UHFFFAOYSA-N 1 2 271.324 0.499 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124889987 799645040 /nfs/dbraw/zinc/64/50/40/799645040.db2.gz UXFKYCGNSQZXDG-VIFPVBQESA-N 1 2 265.317 0.558 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@H]1C ZINC001278234706 806784455 /nfs/dbraw/zinc/78/44/55/806784455.db2.gz SFZXYAMVLTUEDS-PWSUYJOCSA-N 1 2 294.355 0.660 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012676 799887247 /nfs/dbraw/zinc/88/72/47/799887247.db2.gz GAVHJOLYLXGLRV-OLZOCXBDSA-N 1 2 287.367 0.883 20 30 CCEDLO N#CCN[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012676 799887256 /nfs/dbraw/zinc/88/72/56/799887256.db2.gz GAVHJOLYLXGLRV-OLZOCXBDSA-N 1 2 287.367 0.883 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149294541 800243238 /nfs/dbraw/zinc/24/32/38/800243238.db2.gz VLCNOTTVWNMJEG-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001149294541 800243240 /nfs/dbraw/zinc/24/32/40/800243240.db2.gz VLCNOTTVWNMJEG-VXGBXAGGSA-N 1 2 290.791 0.981 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001153134308 800600426 /nfs/dbraw/zinc/60/04/26/800600426.db2.gz BKQBZAWPNGBREW-NSHDSACASA-N 1 2 267.329 0.780 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001153160259 800604661 /nfs/dbraw/zinc/60/46/61/800604661.db2.gz PLBHZYOUJUTFFM-VHSXEESVSA-N 1 2 282.344 0.736 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)ncc2C#N)C1 ZINC001155195062 800926788 /nfs/dbraw/zinc/92/67/88/800926788.db2.gz ZIHJLCGEPKHXAQ-SECBINFHSA-N 1 2 267.720 0.166 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)ncc2C#N)C1 ZINC001155195062 800926793 /nfs/dbraw/zinc/92/67/93/800926793.db2.gz ZIHJLCGEPKHXAQ-SECBINFHSA-N 1 2 267.720 0.166 20 30 CCEDLO N#Cc1cncc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001156108177 801112225 /nfs/dbraw/zinc/11/22/25/801112225.db2.gz RNCHQAQXQIUETM-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)C[NH2+]1 ZINC001156240881 801137257 /nfs/dbraw/zinc/13/72/57/801137257.db2.gz YANVBSSLPVLRTM-CBAPKCEASA-N 1 2 280.715 0.922 20 30 CCEDLO CCOC(=O)c1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320017 801149874 /nfs/dbraw/zinc/14/98/74/801149874.db2.gz MJIZOABECDCPJU-JTQLQIEISA-N 1 2 260.297 0.560 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(-c2nnco2)ccn1 ZINC001156332308 801151857 /nfs/dbraw/zinc/15/18/57/801151857.db2.gz ITUITPVCVMHCSG-JTQLQIEISA-N 1 2 256.269 0.433 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1N(CC)C1C[NH+](C)C1 ZINC001157461308 801391336 /nfs/dbraw/zinc/39/13/36/801391336.db2.gz FONXJTAROKZKRT-UHFFFAOYSA-N 1 2 270.340 0.923 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(Cl)cc1C#N ZINC001157772779 801478148 /nfs/dbraw/zinc/47/81/48/801478148.db2.gz ICDAZIUWYASHSY-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(Cl)cc1C#N ZINC001157772779 801478155 /nfs/dbraw/zinc/47/81/55/801478155.db2.gz ICDAZIUWYASHSY-NSHDSACASA-N 1 2 294.742 0.900 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nnc(Cl)cc2C#N)C[NH2+]1 ZINC001158254856 801603514 /nfs/dbraw/zinc/60/35/14/801603514.db2.gz VTRIUXXCWMPFSB-SFYZADRCSA-N 1 2 281.703 0.317 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(C#N)c[nH]c3n2)C[NH2+]1 ZINC001158254523 801605440 /nfs/dbraw/zinc/60/54/40/801605440.db2.gz FDRWTWAWLZDYRJ-KOLCDFICSA-N 1 2 285.307 0.750 20 30 CCEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533910 801662433 /nfs/dbraw/zinc/66/24/33/801662433.db2.gz LNOQLFZUWLZWSU-CYBMUJFWSA-N 1 2 275.356 0.789 20 30 CCEDLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)c(/C=N/O)c1 ZINC001158707807 801688518 /nfs/dbraw/zinc/68/85/18/801688518.db2.gz UDIUHOAYGQOXCR-QFULYMJESA-N 1 2 264.329 0.941 20 30 CCEDLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)c(/C=N/O)c1 ZINC001158707807 801688522 /nfs/dbraw/zinc/68/85/22/801688522.db2.gz UDIUHOAYGQOXCR-QFULYMJESA-N 1 2 264.329 0.941 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)c(Cl)cn2)C[NH2+]1 ZINC001164302645 802714895 /nfs/dbraw/zinc/71/48/95/802714895.db2.gz ZVKAOZCANTVNNU-WPRPVWTQSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2c(C)ccnc2C#N)C[NH2+]1 ZINC001164312012 802719304 /nfs/dbraw/zinc/71/93/04/802719304.db2.gz IXDDJDXSVZEJKC-UWVGGRQHSA-N 1 2 260.297 0.577 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc(Cl)nn1 ZINC001164642305 802774366 /nfs/dbraw/zinc/77/43/66/802774366.db2.gz UQPRMRVKXAGFKJ-SSDOTTSWSA-N 1 2 273.674 0.977 20 30 CCEDLO Cc1[nH]c2ncnc(N3CC[NH2+]C[C@H]3C#N)c2c1C ZINC001164652231 802775445 /nfs/dbraw/zinc/77/54/45/802775445.db2.gz QGYZPMHIIRNQES-SNVBAGLBSA-N 1 2 256.313 0.877 20 30 CCEDLO CCN(CC)c1cc(N2CC[NH2+]C[C@H]2C#N)ncn1 ZINC001164650816 802775831 /nfs/dbraw/zinc/77/58/31/802775831.db2.gz BDXDWWWSNFULOX-LLVKDONJSA-N 1 2 260.345 0.625 20 30 CCEDLO Cc1[nH+]c(N2CCS(=O)(=O)CC2)ccc1CC#N ZINC001165366048 802828912 /nfs/dbraw/zinc/82/89/12/802828912.db2.gz VTAWXYVJXAIVHD-UHFFFAOYSA-N 1 2 265.338 0.691 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038363362 811761217 /nfs/dbraw/zinc/76/12/17/811761217.db2.gz MDHPDRHVQOFEAJ-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038363362 811761222 /nfs/dbraw/zinc/76/12/22/811761222.db2.gz MDHPDRHVQOFEAJ-HBNTYKKESA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCN3C(=O)OC[C@H]3C2)c1 ZINC001166927691 802978760 /nfs/dbraw/zinc/97/87/60/802978760.db2.gz SRSJANKEDARQBB-LLVKDONJSA-N 1 2 258.281 0.788 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001269356254 813336195 /nfs/dbraw/zinc/33/61/95/813336195.db2.gz NZMSLBTUMSZCDO-AAEUAGOBSA-N 1 2 260.341 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001269356254 813336197 /nfs/dbraw/zinc/33/61/97/813336197.db2.gz NZMSLBTUMSZCDO-AAEUAGOBSA-N 1 2 260.341 0.347 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COC[C@H]1CCCO1 ZINC001269355893 813337130 /nfs/dbraw/zinc/33/71/30/813337130.db2.gz KJINCGGXOSIBDD-UONOGXRCSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COC[C@H]1CCCO1 ZINC001269355893 813337137 /nfs/dbraw/zinc/33/71/37/813337137.db2.gz KJINCGGXOSIBDD-UONOGXRCSA-N 1 2 280.368 0.396 20 30 CCEDLO N#CCNCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970930 803319630 /nfs/dbraw/zinc/31/96/30/803319630.db2.gz QDAGPCOMERVAOZ-UHFFFAOYSA-N 1 2 261.329 0.235 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ncc(O)cn3)CC2)cc1C#N ZINC001207110616 803355322 /nfs/dbraw/zinc/35/53/22/803355322.db2.gz OYNXJMGOKUJHOS-UHFFFAOYSA-N 1 2 298.350 0.715 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001276532004 803397473 /nfs/dbraw/zinc/39/74/73/803397473.db2.gz HQXBFBCLYXDLRP-MRXNPFEDSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001276532004 803397480 /nfs/dbraw/zinc/39/74/80/803397480.db2.gz HQXBFBCLYXDLRP-MRXNPFEDSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001276539581 803415050 /nfs/dbraw/zinc/41/50/50/803415050.db2.gz DRXGPESLPPGJTK-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001276539581 803415057 /nfs/dbraw/zinc/41/50/57/803415057.db2.gz DRXGPESLPPGJTK-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cncc(C#N)c1 ZINC001210083333 803638040 /nfs/dbraw/zinc/63/80/40/803638040.db2.gz LUSLTWQDNAGTKC-UHFFFAOYSA-N 1 2 257.253 0.898 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)C ZINC001210491288 803651635 /nfs/dbraw/zinc/65/16/35/803651635.db2.gz NTDRWPGRYRWRKZ-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)C ZINC001210491288 803651639 /nfs/dbraw/zinc/65/16/39/803651639.db2.gz NTDRWPGRYRWRKZ-GHMZBOCLSA-N 1 2 280.372 0.109 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCSC)[C@H]2C1 ZINC001217255758 803880321 /nfs/dbraw/zinc/88/03/21/803880321.db2.gz WYANLYGCJWRKBA-NWDGAFQWSA-N 1 2 268.382 0.284 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCSC)[C@H]2C1 ZINC001217255758 803880331 /nfs/dbraw/zinc/88/03/31/803880331.db2.gz WYANLYGCJWRKBA-NWDGAFQWSA-N 1 2 268.382 0.284 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC(C)C)[C@H]2C1 ZINC001217426296 803890951 /nfs/dbraw/zinc/89/09/51/803890951.db2.gz IAWXGPIAKRDQJR-SOUVJXGZSA-N 1 2 294.395 0.592 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC(C)C)[C@H]2C1 ZINC001217426296 803890958 /nfs/dbraw/zinc/89/09/58/803890958.db2.gz IAWXGPIAKRDQJR-SOUVJXGZSA-N 1 2 294.395 0.592 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CC)[C@H]2C1 ZINC001217736575 803907866 /nfs/dbraw/zinc/90/78/66/803907866.db2.gz HPFBTUIGVCXQOC-MELADBBJSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CC)[C@H]2C1 ZINC001217736575 803907873 /nfs/dbraw/zinc/90/78/73/803907873.db2.gz HPFBTUIGVCXQOC-MELADBBJSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCOCC3CC3)[C@H]2C1 ZINC001217894767 803924105 /nfs/dbraw/zinc/92/41/05/803924105.db2.gz HYPZNOPTSHULBX-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCOCC3CC3)[C@H]2C1 ZINC001217894767 803924116 /nfs/dbraw/zinc/92/41/16/803924116.db2.gz HYPZNOPTSHULBX-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OC)[C@H]2C1 ZINC001218428913 803957229 /nfs/dbraw/zinc/95/72/29/803957229.db2.gz ILQHCSFXTVOFMF-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)OC)[C@H]2C1 ZINC001218428913 803957233 /nfs/dbraw/zinc/95/72/33/803957233.db2.gz ILQHCSFXTVOFMF-BFHYXJOUSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219532153 804338813 /nfs/dbraw/zinc/33/88/13/804338813.db2.gz LNTVRCUNSHZADW-CABCVRRESA-N 1 2 287.363 0.546 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219532153 804338822 /nfs/dbraw/zinc/33/88/22/804338822.db2.gz LNTVRCUNSHZADW-CABCVRRESA-N 1 2 287.363 0.546 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219541480 804341014 /nfs/dbraw/zinc/34/10/14/804341014.db2.gz JJGWPUBQVAGKBA-BAEOLTKYSA-N 1 2 270.760 0.704 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219541480 804341021 /nfs/dbraw/zinc/34/10/21/804341021.db2.gz JJGWPUBQVAGKBA-BAEOLTKYSA-N 1 2 270.760 0.704 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001220313314 804571704 /nfs/dbraw/zinc/57/17/04/804571704.db2.gz RWLFPKFTAMLXRS-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001220313314 804571710 /nfs/dbraw/zinc/57/17/10/804571710.db2.gz RWLFPKFTAMLXRS-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)[C@@H](O)C1 ZINC001220434247 804603619 /nfs/dbraw/zinc/60/36/19/804603619.db2.gz ARCLAAIYTNYOAO-NEPJUHHUSA-N 1 2 250.342 0.383 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)[C@@H](O)C1 ZINC001220434247 804603623 /nfs/dbraw/zinc/60/36/23/804603623.db2.gz ARCLAAIYTNYOAO-NEPJUHHUSA-N 1 2 250.342 0.383 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000316482132 804703247 /nfs/dbraw/zinc/70/32/47/804703247.db2.gz JZASNPOKCLBKDJ-DGCLKSJQSA-N 1 2 250.273 0.482 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000316482132 804703251 /nfs/dbraw/zinc/70/32/51/804703251.db2.gz JZASNPOKCLBKDJ-DGCLKSJQSA-N 1 2 250.273 0.482 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001221145973 804736025 /nfs/dbraw/zinc/73/60/25/804736025.db2.gz RGGDNQCAUNJJLG-INHAFSAOSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001221145973 804736033 /nfs/dbraw/zinc/73/60/33/804736033.db2.gz RGGDNQCAUNJJLG-INHAFSAOSA-N 1 2 288.775 0.491 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221760712 804843926 /nfs/dbraw/zinc/84/39/26/804843926.db2.gz NSNLSVNYSOGFQE-JHJVBQTASA-N 1 2 279.384 0.607 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221760712 804843935 /nfs/dbraw/zinc/84/39/35/804843935.db2.gz NSNLSVNYSOGFQE-JHJVBQTASA-N 1 2 279.384 0.607 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001276825259 804844799 /nfs/dbraw/zinc/84/47/99/804844799.db2.gz YXMOFWSSVMKDNP-TZMCWYRMSA-N 1 2 264.369 0.873 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001276825259 804844804 /nfs/dbraw/zinc/84/48/04/804844804.db2.gz YXMOFWSSVMKDNP-TZMCWYRMSA-N 1 2 264.369 0.873 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2ncnn2C)CC1 ZINC001222641620 804923386 /nfs/dbraw/zinc/92/33/86/804923386.db2.gz PXJPUXJPRREHIL-LLVKDONJSA-N 1 2 290.371 0.303 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001276893098 804974753 /nfs/dbraw/zinc/97/47/53/804974753.db2.gz WRJIRDZCCOHMOF-ZIAGYGMSSA-N 1 2 290.367 0.321 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001276893098 804974756 /nfs/dbraw/zinc/97/47/56/804974756.db2.gz WRJIRDZCCOHMOF-ZIAGYGMSSA-N 1 2 290.367 0.321 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001276908311 804984096 /nfs/dbraw/zinc/98/40/96/804984096.db2.gz GCGIVGIJEWKYEH-AAEUAGOBSA-N 1 2 254.305 0.329 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001276908311 804984101 /nfs/dbraw/zinc/98/41/01/804984101.db2.gz GCGIVGIJEWKYEH-AAEUAGOBSA-N 1 2 254.305 0.329 20 30 CCEDLO C=CCCC[N@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)CC ZINC001276981028 805055357 /nfs/dbraw/zinc/05/53/57/805055357.db2.gz YSAFTUDHVKBBBT-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)CC ZINC001276981028 805055366 /nfs/dbraw/zinc/05/53/66/805055366.db2.gz YSAFTUDHVKBBBT-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001225677804 805151003 /nfs/dbraw/zinc/15/10/03/805151003.db2.gz RMMNNZLORUYECF-UHFFFAOYSA-N 1 2 253.346 0.679 20 30 CCEDLO C=C1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC001225677804 805151009 /nfs/dbraw/zinc/15/10/09/805151009.db2.gz RMMNNZLORUYECF-UHFFFAOYSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CCCC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001226527187 805242943 /nfs/dbraw/zinc/24/29/43/805242943.db2.gz DZMNXAFLANGVQU-UHFFFAOYSA-N 1 2 277.372 0.862 20 30 CCEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576106 815064013 /nfs/dbraw/zinc/06/40/13/815064013.db2.gz MLIOFXFOQCLKGJ-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001277216755 805361668 /nfs/dbraw/zinc/36/16/68/805361668.db2.gz DVPVRYJHBQGRQL-UHFFFAOYSA-N 1 2 295.346 0.957 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228168256 805421179 /nfs/dbraw/zinc/42/11/79/805421179.db2.gz WXPLJOCBWIXDQT-LSVRBPJHSA-N 1 2 290.319 0.482 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228168256 805421183 /nfs/dbraw/zinc/42/11/83/805421183.db2.gz WXPLJOCBWIXDQT-LSVRBPJHSA-N 1 2 290.319 0.482 20 30 CCEDLO C[N@@H+]1CCO[C@H](COc2cc(C(=O)NO)ccc2O)C1 ZINC001229966556 805569490 /nfs/dbraw/zinc/56/94/90/805569490.db2.gz RWHUBILAJNJPMT-JTQLQIEISA-N 1 2 282.296 0.221 20 30 CCEDLO C[N@H+]1CCO[C@H](COc2cc(C(=O)NO)ccc2O)C1 ZINC001229966556 805569495 /nfs/dbraw/zinc/56/94/95/805569495.db2.gz RWHUBILAJNJPMT-JTQLQIEISA-N 1 2 282.296 0.221 20 30 CCEDLO Cc1ccc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251001852 807634072 /nfs/dbraw/zinc/63/40/72/807634072.db2.gz QXNNQWVCIWJSCY-CQSZACIVSA-N 1 2 275.352 0.972 20 30 CCEDLO Cc1nc(C#N)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006320 807636917 /nfs/dbraw/zinc/63/69/17/807636917.db2.gz KOCRKECETDKKAY-CYBMUJFWSA-N 1 2 276.340 0.367 20 30 CCEDLO COc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC001251026420 807646646 /nfs/dbraw/zinc/64/66/46/807646646.db2.gz RGPKBOUPDUHHQZ-AWEZNQCLSA-N 1 2 291.351 0.672 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251035688 807650530 /nfs/dbraw/zinc/65/05/30/807650530.db2.gz LIKRETSVRHEMEI-CHWSQXEVSA-N 1 2 255.362 0.207 20 30 CCEDLO CCC[C@@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251042301 807653035 /nfs/dbraw/zinc/65/30/35/807653035.db2.gz VYRBWCYKAYNQRG-STQMWFEESA-N 1 2 255.362 0.351 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001251851094 807720555 /nfs/dbraw/zinc/72/05/55/807720555.db2.gz DDNDLVCIKNVJHN-GFCCVEGCSA-N 1 2 274.311 0.022 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](O)C1 ZINC001083484689 815154211 /nfs/dbraw/zinc/15/42/11/815154211.db2.gz VARQWMANNLAJQE-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](O)C1 ZINC001083484689 815154212 /nfs/dbraw/zinc/15/42/12/815154212.db2.gz VARQWMANNLAJQE-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001252462975 807874762 /nfs/dbraw/zinc/87/47/62/807874762.db2.gz KNLKRBRPXKPYDQ-LLVKDONJSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001252462975 807874772 /nfs/dbraw/zinc/87/47/72/807874772.db2.gz KNLKRBRPXKPYDQ-LLVKDONJSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCOC[C@H](O)C[NH+]1CCN(CCCC)CC1 ZINC001252467291 807877362 /nfs/dbraw/zinc/87/73/62/807877362.db2.gz XGAQMXRWJUIJDT-CQSZACIVSA-N 1 2 256.390 0.968 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@](C)(O)C=C ZINC001252550568 807908205 /nfs/dbraw/zinc/90/82/05/807908205.db2.gz OMSVYJLHLMZKDA-DZGCQCFKSA-N 1 2 292.383 0.854 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@](C)(O)C=C ZINC001252550568 807908210 /nfs/dbraw/zinc/90/82/10/807908210.db2.gz OMSVYJLHLMZKDA-DZGCQCFKSA-N 1 2 292.383 0.854 20 30 CCEDLO C=C[C@@H](O)C[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001253570752 808081602 /nfs/dbraw/zinc/08/16/02/808081602.db2.gz AWYRFEIUDSPSGJ-SNVBAGLBSA-N 1 2 268.748 0.799 20 30 CCEDLO C=C[C@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001253567916 808081825 /nfs/dbraw/zinc/08/18/25/808081825.db2.gz WGQUWYQDRSNSHE-NSHDSACASA-N 1 2 250.298 0.584 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001253581823 808088933 /nfs/dbraw/zinc/08/89/33/808088933.db2.gz KIGXDIZNOCKENE-LLVKDONJSA-N 1 2 291.351 0.816 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001253581823 808088936 /nfs/dbraw/zinc/08/89/36/808088936.db2.gz KIGXDIZNOCKENE-LLVKDONJSA-N 1 2 291.351 0.816 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001253582342 808089397 /nfs/dbraw/zinc/08/93/97/808089397.db2.gz NYRMYEOJFPOHLI-ZDUSSCGKSA-N 1 2 287.367 0.881 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001253582342 808089405 /nfs/dbraw/zinc/08/94/05/808089405.db2.gz NYRMYEOJFPOHLI-ZDUSSCGKSA-N 1 2 287.367 0.881 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253794938 808143513 /nfs/dbraw/zinc/14/35/13/808143513.db2.gz LCRKPTFSDVQNQA-QWRGUYRKSA-N 1 2 285.365 0.575 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001253794938 808143519 /nfs/dbraw/zinc/14/35/19/808143519.db2.gz LCRKPTFSDVQNQA-QWRGUYRKSA-N 1 2 285.365 0.575 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@@H](O)C1 ZINC001083510504 815184226 /nfs/dbraw/zinc/18/42/26/815184226.db2.gz GSISMAWLCQEGJV-MXWKQRLJSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@@H](O)C1 ZINC001083510504 815184232 /nfs/dbraw/zinc/18/42/32/815184232.db2.gz GSISMAWLCQEGJV-MXWKQRLJSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC#N)C(C)(C)C ZINC001278972309 808566413 /nfs/dbraw/zinc/56/64/13/808566413.db2.gz BVOYCQJFQHGILU-KBPBESRZSA-N 1 2 290.411 0.728 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC#N)C(C)(C)C ZINC001278972309 808566418 /nfs/dbraw/zinc/56/64/18/808566418.db2.gz BVOYCQJFQHGILU-KBPBESRZSA-N 1 2 290.411 0.728 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001261285465 808944726 /nfs/dbraw/zinc/94/47/26/808944726.db2.gz HKAUOEDGMUXJHG-UHFFFAOYSA-N 1 2 276.340 0.590 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001261422379 808975011 /nfs/dbraw/zinc/97/50/11/808975011.db2.gz UXYNMLNHNWMCHK-UHFFFAOYSA-N 1 2 273.336 0.844 20 30 CCEDLO C=CCn1nnnc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001262210037 809244551 /nfs/dbraw/zinc/24/45/51/809244551.db2.gz JXSSHXMDKAPBHA-LBPRGKRZSA-N 1 2 278.360 0.160 20 30 CCEDLO C=C1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001262856568 809417487 /nfs/dbraw/zinc/41/74/87/809417487.db2.gz QOIDEFCSOQYOPP-IUODEOHRSA-N 1 2 291.399 0.883 20 30 CCEDLO C=C1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001262856568 809417489 /nfs/dbraw/zinc/41/74/89/809417489.db2.gz QOIDEFCSOQYOPP-IUODEOHRSA-N 1 2 291.399 0.883 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001076456561 815299092 /nfs/dbraw/zinc/29/90/92/815299092.db2.gz RBAYFTHLLLOCGT-SLEUVZQESA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001076456561 815299097 /nfs/dbraw/zinc/29/90/97/815299097.db2.gz RBAYFTHLLLOCGT-SLEUVZQESA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001076456561 815299100 /nfs/dbraw/zinc/29/91/00/815299100.db2.gz RBAYFTHLLLOCGT-SLEUVZQESA-N 1 2 299.378 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001076456561 815299104 /nfs/dbraw/zinc/29/91/04/815299104.db2.gz RBAYFTHLLLOCGT-SLEUVZQESA-N 1 2 299.378 0.076 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265223085 809727642 /nfs/dbraw/zinc/72/76/42/809727642.db2.gz QCAKEENSAJXGFA-NEPJUHHUSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265223085 809727644 /nfs/dbraw/zinc/72/76/44/809727644.db2.gz QCAKEENSAJXGFA-NEPJUHHUSA-N 1 2 267.373 0.655 20 30 CCEDLO CCN(CC#N)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266057579 809928870 /nfs/dbraw/zinc/92/88/70/809928870.db2.gz KCEJVQJLDOQHKP-ZDUSSCGKSA-N 1 2 289.383 0.797 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266197914 809960348 /nfs/dbraw/zinc/96/03/48/809960348.db2.gz RRMISJNAZKXEQQ-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266197914 809960355 /nfs/dbraw/zinc/96/03/55/809960355.db2.gz RRMISJNAZKXEQQ-CQSZACIVSA-N 1 2 291.395 0.507 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+]Cc1nc(CC2CC2)no1 ZINC001267355229 811203590 /nfs/dbraw/zinc/20/35/90/811203590.db2.gz LQKHASPPPWFXFC-SNVBAGLBSA-N 1 2 291.355 0.730 20 30 CCEDLO C[C@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)c1csnn1 ZINC001125783713 811339384 /nfs/dbraw/zinc/33/93/84/811339384.db2.gz QTOVVMRUKBKVRF-QMMMGPOBSA-N 1 2 290.352 0.818 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)C2(C)CCC2)CC1 ZINC001267608926 811558632 /nfs/dbraw/zinc/55/86/32/811558632.db2.gz IIQBAGYQNVBJJI-UHFFFAOYSA-N 1 2 277.412 0.886 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001267622801 811580320 /nfs/dbraw/zinc/58/03/20/811580320.db2.gz QAGVFVOMGYZHRY-STQMWFEESA-N 1 2 284.425 0.968 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001267622801 811580323 /nfs/dbraw/zinc/58/03/23/811580323.db2.gz QAGVFVOMGYZHRY-STQMWFEESA-N 1 2 284.425 0.968 20 30 CCEDLO CC#CC[NH+]1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001267684139 811649278 /nfs/dbraw/zinc/64/92/78/811649278.db2.gz UCEQUHZFOUIJJS-SECBINFHSA-N 1 2 266.238 0.958 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001038346373 811672169 /nfs/dbraw/zinc/67/21/69/811672169.db2.gz RDRVJCCDSYIQDZ-NSHDSACASA-N 1 2 287.319 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001038346373 811672174 /nfs/dbraw/zinc/67/21/74/811672174.db2.gz RDRVJCCDSYIQDZ-NSHDSACASA-N 1 2 287.319 0.290 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001267717940 811679540 /nfs/dbraw/zinc/67/95/40/811679540.db2.gz QYYCMGCIYDOOSU-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001267717940 811679542 /nfs/dbraw/zinc/67/95/42/811679542.db2.gz QYYCMGCIYDOOSU-LBPRGKRZSA-N 1 2 291.351 0.694 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C/C=C(\C)C=C)C2)nn1 ZINC001105303038 811901208 /nfs/dbraw/zinc/90/12/08/811901208.db2.gz ASJHRTQUJITEKN-AWNIVKPZSA-N 1 2 299.378 0.907 20 30 CCEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2csnn2)c[nH]1 ZINC001125988131 811967698 /nfs/dbraw/zinc/96/76/98/811967698.db2.gz MOUYCRKSLHZXBH-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001083588455 815508623 /nfs/dbraw/zinc/50/86/23/815508623.db2.gz LXRAMCFNPZPBPZ-NEPJUHHUSA-N 1 2 268.332 0.453 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)[C@@H](O)C1 ZINC001083588455 815508627 /nfs/dbraw/zinc/50/86/27/815508627.db2.gz LXRAMCFNPZPBPZ-NEPJUHHUSA-N 1 2 268.332 0.453 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001268469859 812621646 /nfs/dbraw/zinc/62/16/46/812621646.db2.gz MRXAJCFIWXEQNF-SNVBAGLBSA-N 1 2 278.274 0.778 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001268474937 812632530 /nfs/dbraw/zinc/63/25/30/812632530.db2.gz RQUVAEVNWCCYAA-CQSZACIVSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)OC[C@H]2CCCO2)C1 ZINC001268491460 812680999 /nfs/dbraw/zinc/68/09/99/812680999.db2.gz INJHKZKOGRZPKU-TZMCWYRMSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCCOCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001268492406 812690106 /nfs/dbraw/zinc/69/01/06/812690106.db2.gz VYPXZXVIFAZWPP-UHFFFAOYSA-N 1 2 278.356 0.313 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001268512373 812747988 /nfs/dbraw/zinc/74/79/88/812747988.db2.gz XKWFBSQQTNWTAW-AWEZNQCLSA-N 1 2 289.379 0.140 20 30 CCEDLO N#CCNCC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268556520 812795597 /nfs/dbraw/zinc/79/55/97/812795597.db2.gz POZHWCHSPDGGAE-UPHRSURJSA-N 1 2 269.308 0.962 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001268866988 813124079 /nfs/dbraw/zinc/12/40/79/813124079.db2.gz DAJIMDPZOLDKIL-YPMHNXCESA-N 1 2 279.384 0.525 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001268866985 813124224 /nfs/dbraw/zinc/12/42/24/813124224.db2.gz DAJIMDPZOLDKIL-AAEUAGOBSA-N 1 2 279.384 0.525 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649989 813143069 /nfs/dbraw/zinc/14/30/69/813143069.db2.gz PBYUGIWGRBTOLT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649989 813143074 /nfs/dbraw/zinc/14/30/74/813143074.db2.gz PBYUGIWGRBTOLT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649989 813143077 /nfs/dbraw/zinc/14/30/77/813143077.db2.gz PBYUGIWGRBTOLT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649989 813143081 /nfs/dbraw/zinc/14/30/81/813143081.db2.gz PBYUGIWGRBTOLT-VIFPVBQESA-N 1 2 269.736 0.609 20 30 CCEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)CCS)[C@@H]2C1 ZINC001268960118 813161859 /nfs/dbraw/zinc/16/18/59/813161859.db2.gz YFDSGMGFLANDER-NWDGAFQWSA-N 1 2 288.413 0.460 20 30 CCEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)CCS)[C@@H]2C1 ZINC001268960118 813161861 /nfs/dbraw/zinc/16/18/61/813161861.db2.gz YFDSGMGFLANDER-NWDGAFQWSA-N 1 2 288.413 0.460 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)CCS)C2 ZINC001268960050 813162029 /nfs/dbraw/zinc/16/20/29/813162029.db2.gz VGHFDHQYOXUYGV-UHFFFAOYSA-N 1 2 299.440 0.319 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001269065463 813200719 /nfs/dbraw/zinc/20/07/19/813200719.db2.gz PNFBAOXGXATAHS-NWDGAFQWSA-N 1 2 277.368 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001269065463 813200723 /nfs/dbraw/zinc/20/07/23/813200723.db2.gz PNFBAOXGXATAHS-NWDGAFQWSA-N 1 2 277.368 0.279 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C(C)(C)C ZINC001269142982 813238784 /nfs/dbraw/zinc/23/87/84/813238784.db2.gz SNSFGFPREMMWNM-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C(C)(C)C ZINC001269142982 813238789 /nfs/dbraw/zinc/23/87/89/813238789.db2.gz SNSFGFPREMMWNM-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269156031 813244274 /nfs/dbraw/zinc/24/42/74/813244274.db2.gz JSXCZUFYEIOYBC-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269156031 813244276 /nfs/dbraw/zinc/24/42/76/813244276.db2.gz JSXCZUFYEIOYBC-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001269199445 813259900 /nfs/dbraw/zinc/25/99/00/813259900.db2.gz FASUCMXWTMGXHW-QWHCGFSZSA-N 1 2 260.341 0.658 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001269199445 813259903 /nfs/dbraw/zinc/25/99/03/813259903.db2.gz FASUCMXWTMGXHW-QWHCGFSZSA-N 1 2 260.341 0.658 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001269209397 813268164 /nfs/dbraw/zinc/26/81/64/813268164.db2.gz AFOCJPRPVKPQDS-LBPRGKRZSA-N 1 2 278.356 0.313 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001269240703 813285487 /nfs/dbraw/zinc/28/54/87/813285487.db2.gz NIZDOPVVNFANGV-VXGBXAGGSA-N 1 2 293.367 0.338 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001269240703 813285492 /nfs/dbraw/zinc/28/54/92/813285492.db2.gz NIZDOPVVNFANGV-VXGBXAGGSA-N 1 2 293.367 0.338 20 30 CCEDLO C=CCN1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001269298612 813315061 /nfs/dbraw/zinc/31/50/61/813315061.db2.gz MBLQJKIPPYXZIH-HNNXBMFYSA-N 1 2 288.351 0.520 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001269326671 813325542 /nfs/dbraw/zinc/32/55/42/813325542.db2.gz MERZSDNIVUOTPZ-ZFWWWQNUSA-N 1 2 280.368 0.253 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001269326671 813325550 /nfs/dbraw/zinc/32/55/50/813325550.db2.gz MERZSDNIVUOTPZ-ZFWWWQNUSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccs1 ZINC001269338355 813330556 /nfs/dbraw/zinc/33/05/56/813330556.db2.gz PEJXGYAMYVVWSM-NSHDSACASA-N 1 2 291.376 0.302 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccs1 ZINC001269338355 813330558 /nfs/dbraw/zinc/33/05/58/813330558.db2.gz PEJXGYAMYVVWSM-NSHDSACASA-N 1 2 291.376 0.302 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COC[C@H]1CCCO1 ZINC001269355894 813335677 /nfs/dbraw/zinc/33/56/77/813335677.db2.gz KJINCGGXOSIBDD-ZIAGYGMSSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COC[C@H]1CCCO1 ZINC001269355894 813335681 /nfs/dbraw/zinc/33/56/81/813335681.db2.gz KJINCGGXOSIBDD-ZIAGYGMSSA-N 1 2 280.368 0.396 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001269356255 813335772 /nfs/dbraw/zinc/33/57/72/813335772.db2.gz NZMSLBTUMSZCDO-DGCLKSJQSA-N 1 2 260.341 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001269356255 813335780 /nfs/dbraw/zinc/33/57/80/813335780.db2.gz NZMSLBTUMSZCDO-DGCLKSJQSA-N 1 2 260.341 0.347 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCC(=O)NCC)C1 ZINC001269764324 813497510 /nfs/dbraw/zinc/49/75/10/813497510.db2.gz SLFBUFJFINDREP-UHFFFAOYSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(COC)CCOCC2)C1 ZINC001269799721 813510821 /nfs/dbraw/zinc/51/08/21/813510821.db2.gz DYYCSNHWMWJSMH-UHFFFAOYSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](CC(=C)C)NC(C)=O)C1 ZINC001269855803 813532847 /nfs/dbraw/zinc/53/28/47/813532847.db2.gz MAYFFOKXEASPSA-HNNXBMFYSA-N 1 2 291.395 0.623 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001270502599 813787429 /nfs/dbraw/zinc/78/74/29/813787429.db2.gz ZXUABENRTRWIQN-GFCCVEGCSA-N 1 2 292.383 0.159 20 30 CCEDLO COC[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001270521069 813795276 /nfs/dbraw/zinc/79/52/76/813795276.db2.gz VNWCTNQDESDHEI-UONOGXRCSA-N 1 2 294.399 0.011 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098694891 813848421 /nfs/dbraw/zinc/84/84/21/813848421.db2.gz MBXOGZKUVBMMCD-KWCYVHTRSA-N 1 2 287.367 0.430 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001059250441 814009619 /nfs/dbraw/zinc/00/96/19/814009619.db2.gz WICHUVIPYAEAER-HAQNSBGRSA-N 1 2 297.322 0.304 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001087690724 814189378 /nfs/dbraw/zinc/18/93/78/814189378.db2.gz OHEFDKLOYNCEDN-VHSXEESVSA-N 1 2 298.778 0.545 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001087690724 814189381 /nfs/dbraw/zinc/18/93/81/814189381.db2.gz OHEFDKLOYNCEDN-VHSXEESVSA-N 1 2 298.778 0.545 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001029421917 814218057 /nfs/dbraw/zinc/21/80/57/814218057.db2.gz OGZUZQKSWOJVGA-BETUJISGSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001029421917 814218066 /nfs/dbraw/zinc/21/80/66/814218066.db2.gz OGZUZQKSWOJVGA-BETUJISGSA-N 1 2 293.411 0.962 20 30 CCEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CCN1CC#N ZINC001087810190 814219144 /nfs/dbraw/zinc/21/91/44/814219144.db2.gz HNFCJMRAJXZPPS-WCQYABFASA-N 1 2 275.356 0.753 20 30 CCEDLO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059426494 814300613 /nfs/dbraw/zinc/30/06/13/814300613.db2.gz CGUDXQBGBJYACT-HAQNSBGRSA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001059426852 814301270 /nfs/dbraw/zinc/30/12/70/814301270.db2.gz YBCWXASLPASDQJ-XYPYZODXSA-N 1 2 297.322 0.373 20 30 CCEDLO C=CCCOCC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001271392783 814402045 /nfs/dbraw/zinc/40/20/45/814402045.db2.gz GONHKPSAJGSZIB-UHFFFAOYSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083650260 815608284 /nfs/dbraw/zinc/60/82/84/815608284.db2.gz MTCHHPRYFWBQQR-NEPJUHHUSA-N 1 2 287.319 0.789 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3ncccc3o2)[C@@H](O)C1 ZINC001083650260 815608288 /nfs/dbraw/zinc/60/82/88/815608288.db2.gz MTCHHPRYFWBQQR-NEPJUHHUSA-N 1 2 287.319 0.789 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038464406 814615280 /nfs/dbraw/zinc/61/52/80/814615280.db2.gz FMRANDYVANBIMO-SNVBAGLBSA-N 1 2 284.319 0.014 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038464406 814615285 /nfs/dbraw/zinc/61/52/85/814615285.db2.gz FMRANDYVANBIMO-SNVBAGLBSA-N 1 2 284.319 0.014 20 30 CCEDLO C#CCCCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001271959800 814652927 /nfs/dbraw/zinc/65/29/27/814652927.db2.gz VBRLJKYWEUFQBI-CQSZACIVSA-N 1 2 270.348 0.703 20 30 CCEDLO C#CCCCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271959800 814652932 /nfs/dbraw/zinc/65/29/32/814652932.db2.gz VBRLJKYWEUFQBI-CQSZACIVSA-N 1 2 270.348 0.703 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001038471234 814867252 /nfs/dbraw/zinc/86/72/52/814867252.db2.gz VASOWZXEFKIRAJ-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001038471234 814867258 /nfs/dbraw/zinc/86/72/58/814867258.db2.gz VASOWZXEFKIRAJ-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001105453713 814892360 /nfs/dbraw/zinc/89/23/60/814892360.db2.gz KFBDTUZDJIOTJJ-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO Cn1c[nH+]cc1CN1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030230405 815914072 /nfs/dbraw/zinc/91/40/72/815914072.db2.gz GMXCNFQYHVSHLS-UHFFFAOYSA-N 1 2 284.323 0.234 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001030393605 816011943 /nfs/dbraw/zinc/01/19/43/816011943.db2.gz QRSPMESUQKTHNR-LBPRGKRZSA-N 1 2 277.368 0.067 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)[C@H]1C ZINC001088854939 816079578 /nfs/dbraw/zinc/07/95/78/816079578.db2.gz ILNHGAGJLSNXGL-SUNKGSAMSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)[C@H]1C ZINC001088854939 816079587 /nfs/dbraw/zinc/07/95/87/816079587.db2.gz ILNHGAGJLSNXGL-SUNKGSAMSA-N 1 2 299.802 0.844 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(OC)c2C)C1 ZINC001030526780 816087148 /nfs/dbraw/zinc/08/71/48/816087148.db2.gz VZYBIWPQXUDSBQ-UHFFFAOYSA-N 1 2 273.336 0.836 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c(OC)ncnc2OC)CC1 ZINC001232517815 816172069 /nfs/dbraw/zinc/17/20/69/816172069.db2.gz RISVSDCYCVFHDI-UHFFFAOYSA-N 1 2 276.340 0.245 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)nc2)C1 ZINC001030643372 816179178 /nfs/dbraw/zinc/17/91/78/816179178.db2.gz HOCKXMZBSIPWIP-UHFFFAOYSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001030651176 816184708 /nfs/dbraw/zinc/18/47/08/816184708.db2.gz WLSXWORAQFQVRD-UHFFFAOYSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001077481055 816188401 /nfs/dbraw/zinc/18/84/01/816188401.db2.gz GLJSHIMUBCGSDV-HUUCEWRRSA-N 1 2 298.342 0.770 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001077481055 816188405 /nfs/dbraw/zinc/18/84/05/816188405.db2.gz GLJSHIMUBCGSDV-HUUCEWRRSA-N 1 2 298.342 0.770 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1CC#N ZINC001088981511 816201728 /nfs/dbraw/zinc/20/17/28/816201728.db2.gz YDNNKAOJNUHWHA-PWSUYJOCSA-N 1 2 261.329 0.065 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001030830684 816325266 /nfs/dbraw/zinc/32/52/66/816325266.db2.gz SKBNKLCJGMKIQQ-UHFFFAOYSA-N 1 2 287.363 0.770 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CC)n2CC=C)CC1 ZINC001121572813 816439535 /nfs/dbraw/zinc/43/95/35/816439535.db2.gz RIPQYYNNNKVKAM-CYBMUJFWSA-N 1 2 289.383 0.663 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cn(C)nc2Cl)C1 ZINC001030952618 816492904 /nfs/dbraw/zinc/49/29/04/816492904.db2.gz QZOJALGSXKPXNQ-UHFFFAOYSA-N 1 2 280.759 0.440 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001038570811 816537486 /nfs/dbraw/zinc/53/74/86/816537486.db2.gz JMPVJQNPKRBLSM-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001038570811 816537491 /nfs/dbraw/zinc/53/74/91/816537491.db2.gz JMPVJQNPKRBLSM-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001031059340 816614950 /nfs/dbraw/zinc/61/49/50/816614950.db2.gz JLUMFQCUJIADAT-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCOC)C2)cc1 ZINC001031066430 816620595 /nfs/dbraw/zinc/62/05/95/816620595.db2.gz BMNNDQQBKWSJDR-UHFFFAOYSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001077531313 816657819 /nfs/dbraw/zinc/65/78/19/816657819.db2.gz BQNFRQSBARZNBJ-YNEHKIRRSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001077531313 816657824 /nfs/dbraw/zinc/65/78/24/816657824.db2.gz BQNFRQSBARZNBJ-YNEHKIRRSA-N 1 2 264.369 0.607 20 30 CCEDLO CCN(CCNc1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001106790263 816908074 /nfs/dbraw/zinc/90/80/74/816908074.db2.gz UIMMGSGDHBZDSJ-UHFFFAOYSA-N 1 2 298.350 0.532 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001106799911 816920619 /nfs/dbraw/zinc/92/06/19/816920619.db2.gz WUQHCCKLHAHZDO-GHMZBOCLSA-N 1 2 261.329 0.160 20 30 CCEDLO C#Cc1ccc(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)nc1 ZINC001031277484 816923589 /nfs/dbraw/zinc/92/35/89/816923589.db2.gz IJCPSYUQXRCAHP-UHFFFAOYSA-N 1 2 295.346 0.411 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001083742248 816955368 /nfs/dbraw/zinc/95/53/68/816955368.db2.gz LBNYHTLBTFKYLA-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001083742248 816955375 /nfs/dbraw/zinc/95/53/75/816955375.db2.gz LBNYHTLBTFKYLA-KGLIPLIRSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CCN1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001031432707 817050666 /nfs/dbraw/zinc/05/06/66/817050666.db2.gz NPTLPPCXOXQZPS-UHFFFAOYSA-N 1 2 289.404 0.540 20 30 CCEDLO C#CCN1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001031432707 817050674 /nfs/dbraw/zinc/05/06/74/817050674.db2.gz NPTLPPCXOXQZPS-UHFFFAOYSA-N 1 2 289.404 0.540 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001031428751 817051293 /nfs/dbraw/zinc/05/12/93/817051293.db2.gz SEIVUDPKJLTOTJ-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001031428748 817051158 /nfs/dbraw/zinc/05/11/58/817051158.db2.gz SEIVUDPKJLTOTJ-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2nn(CC)nc2C)C1 ZINC001031488663 817078611 /nfs/dbraw/zinc/07/86/11/817078611.db2.gz YALBCUQFIMUJEC-UHFFFAOYSA-N 1 2 263.345 0.597 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@@H](O)C1 ZINC001083761654 817246933 /nfs/dbraw/zinc/24/69/33/817246933.db2.gz OGWCJGSIQLSFSH-LPWJVIDDSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@@H](O)C1 ZINC001083761654 817246939 /nfs/dbraw/zinc/24/69/39/817246939.db2.gz OGWCJGSIQLSFSH-LPWJVIDDSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001089711257 817324491 /nfs/dbraw/zinc/32/44/91/817324491.db2.gz PWJLMOYDQCXUNY-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001089711257 817324499 /nfs/dbraw/zinc/32/44/99/817324499.db2.gz PWJLMOYDQCXUNY-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001089711257 817324507 /nfs/dbraw/zinc/32/45/07/817324507.db2.gz PWJLMOYDQCXUNY-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001089711257 817324515 /nfs/dbraw/zinc/32/45/15/817324515.db2.gz PWJLMOYDQCXUNY-NSHDSACASA-N 1 2 275.356 0.658 20 30 CCEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CCF)C2)c1 ZINC001031963187 817498673 /nfs/dbraw/zinc/49/86/73/817498673.db2.gz HAGFGVNMLQEKLU-UHFFFAOYSA-N 1 2 261.300 0.694 20 30 CCEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001124635862 817531414 /nfs/dbraw/zinc/53/14/14/817531414.db2.gz BHMSVOBKXFENOS-SNVBAGLBSA-N 1 2 282.344 0.949 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001124772368 817571159 /nfs/dbraw/zinc/57/11/59/817571159.db2.gz BYURHBWSSMBZKC-VIFPVBQESA-N 1 2 268.317 0.347 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124888005 817615732 /nfs/dbraw/zinc/61/57/32/817615732.db2.gz CTLDEFCPAIHNSS-IUCAKERBSA-N 1 2 281.316 0.142 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124889538 817617275 /nfs/dbraw/zinc/61/72/75/817617275.db2.gz RFGGYGJOIKWTKL-SECBINFHSA-N 1 2 262.313 0.917 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](F)C(C)C)nn2)C1 ZINC001107194044 817804608 /nfs/dbraw/zinc/80/46/08/817804608.db2.gz NAYONZYSCBENCO-CYBMUJFWSA-N 1 2 295.362 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)cn2)C1 ZINC001107711811 817957024 /nfs/dbraw/zinc/95/70/24/817957024.db2.gz LTHLUGRHEZDXRP-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)cn2)C1 ZINC001107711811 817957025 /nfs/dbraw/zinc/95/70/25/817957025.db2.gz LTHLUGRHEZDXRP-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107716063 817962228 /nfs/dbraw/zinc/96/22/28/817962228.db2.gz ZCBIVZUPHQSISG-OAHLLOKOSA-N 1 2 294.351 0.105 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107716063 817962233 /nfs/dbraw/zinc/96/22/33/817962233.db2.gz ZCBIVZUPHQSISG-OAHLLOKOSA-N 1 2 294.351 0.105 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1 ZINC001032360382 817988297 /nfs/dbraw/zinc/98/82/97/817988297.db2.gz NNFPNWHVCYMQPD-KBPBESRZSA-N 1 2 257.337 0.947 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1 ZINC001032360382 817988299 /nfs/dbraw/zinc/98/82/99/817988299.db2.gz NNFPNWHVCYMQPD-KBPBESRZSA-N 1 2 257.337 0.947 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107818705 818031788 /nfs/dbraw/zinc/03/17/88/818031788.db2.gz DRXGEIYMJRTWLA-DGCLKSJQSA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107818705 818031793 /nfs/dbraw/zinc/03/17/93/818031793.db2.gz DRXGEIYMJRTWLA-DGCLKSJQSA-N 1 2 251.330 0.539 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](O)C1 ZINC001083805893 818058777 /nfs/dbraw/zinc/05/87/77/818058777.db2.gz HFYNXMNEZKKJOG-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](O)C1 ZINC001083805893 818058780 /nfs/dbraw/zinc/05/87/80/818058780.db2.gz HFYNXMNEZKKJOG-NEPJUHHUSA-N 1 2 279.727 0.143 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001043442879 818081528 /nfs/dbraw/zinc/08/15/28/818081528.db2.gz ZFVMNJZITPEABT-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052581 818175543 /nfs/dbraw/zinc/17/55/43/818175543.db2.gz GHMGKKQJSVMJMT-HNNXBMFYSA-N 1 2 290.367 0.264 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052581 818175548 /nfs/dbraw/zinc/17/55/48/818175548.db2.gz GHMGKKQJSVMJMT-HNNXBMFYSA-N 1 2 290.367 0.264 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001038090259 818257440 /nfs/dbraw/zinc/25/74/40/818257440.db2.gz SSMSGXPNADVQJM-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001038090259 818257445 /nfs/dbraw/zinc/25/74/45/818257445.db2.gz SSMSGXPNADVQJM-LBPRGKRZSA-N 1 2 260.341 0.556 20 30 CCEDLO C=CCN1C[C@@]2(F)CN(Cc3c[nH+]cn3C)C[C@@]2(F)C1=O ZINC001272996038 818281568 /nfs/dbraw/zinc/28/15/68/818281568.db2.gz AJVNUMXRNQRZNL-UONOGXRCSA-N 1 2 296.321 0.681 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1c[nH+]cn1C)C2 ZINC001272997176 818285343 /nfs/dbraw/zinc/28/53/43/818285343.db2.gz VGRULHWQVXLMBL-UHFFFAOYSA-N 1 2 276.340 0.019 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001044333938 818387413 /nfs/dbraw/zinc/38/74/13/818387413.db2.gz ZGFCHNROJNBVMM-CYBMUJFWSA-N 1 2 291.395 0.553 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC001090134811 818714884 /nfs/dbraw/zinc/71/48/84/818714884.db2.gz RGVPSYXCLQMQBA-VXGBXAGGSA-N 1 2 278.356 0.378 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H](O)C1 ZINC001090134811 818714889 /nfs/dbraw/zinc/71/48/89/818714889.db2.gz RGVPSYXCLQMQBA-VXGBXAGGSA-N 1 2 278.356 0.378 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225191 819134356 /nfs/dbraw/zinc/13/43/56/819134356.db2.gz GQINTGNARXPNLN-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225191 819134359 /nfs/dbraw/zinc/13/43/59/819134359.db2.gz GQINTGNARXPNLN-CYBMUJFWSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](O)C1 ZINC001083861406 819213084 /nfs/dbraw/zinc/21/30/84/819213084.db2.gz KPKXFOKAIPAFEY-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](O)C1 ZINC001083861406 819213088 /nfs/dbraw/zinc/21/30/88/819213088.db2.gz KPKXFOKAIPAFEY-OLZOCXBDSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108128513 819219448 /nfs/dbraw/zinc/21/94/48/819219448.db2.gz CGMLLRZQOAHYQW-OCCSQVGLSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108128513 819219454 /nfs/dbraw/zinc/21/94/54/819219454.db2.gz CGMLLRZQOAHYQW-OCCSQVGLSA-N 1 2 270.348 0.965 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC(=C)C)[C@@H](n2ccnn2)C1 ZINC001129025629 819356474 /nfs/dbraw/zinc/35/64/74/819356474.db2.gz OGCATCCDOAHPIJ-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC(=C)C)[C@@H](n2ccnn2)C1 ZINC001129025629 819356479 /nfs/dbraw/zinc/35/64/79/819356479.db2.gz OGCATCCDOAHPIJ-KGLIPLIRSA-N 1 2 287.367 0.609 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035321863 819470430 /nfs/dbraw/zinc/47/04/30/819470430.db2.gz ZNWGWKYYSMYACY-LLVKDONJSA-N 1 2 291.355 0.066 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001035321863 819470435 /nfs/dbraw/zinc/47/04/35/819470435.db2.gz ZNWGWKYYSMYACY-LLVKDONJSA-N 1 2 291.355 0.066 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035330889 819475999 /nfs/dbraw/zinc/47/59/99/819475999.db2.gz QSENFZFKYYZLCU-GFCCVEGCSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035330889 819476003 /nfs/dbraw/zinc/47/60/03/819476003.db2.gz QSENFZFKYYZLCU-GFCCVEGCSA-N 1 2 274.324 0.503 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035336899 819479395 /nfs/dbraw/zinc/47/93/95/819479395.db2.gz MVMZIPZTQOTYFB-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035336899 819479400 /nfs/dbraw/zinc/47/94/00/819479400.db2.gz MVMZIPZTQOTYFB-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035356567 819497562 /nfs/dbraw/zinc/49/75/62/819497562.db2.gz VYNLSFWILNKTTB-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035356567 819497567 /nfs/dbraw/zinc/49/75/67/819497567.db2.gz VYNLSFWILNKTTB-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001035408602 819515151 /nfs/dbraw/zinc/51/51/51/819515151.db2.gz KAHYPGGCKRYHJK-NSHDSACASA-N 1 2 294.355 0.425 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001035408602 819515156 /nfs/dbraw/zinc/51/51/56/819515156.db2.gz KAHYPGGCKRYHJK-NSHDSACASA-N 1 2 294.355 0.425 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035451182 819528134 /nfs/dbraw/zinc/52/81/34/819528134.db2.gz YIGLAPXMIYMHNV-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035451182 819528139 /nfs/dbraw/zinc/52/81/39/819528139.db2.gz YIGLAPXMIYMHNV-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001035536457 819550250 /nfs/dbraw/zinc/55/02/50/819550250.db2.gz XSGUZMABZZNYLY-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001035536457 819550254 /nfs/dbraw/zinc/55/02/54/819550254.db2.gz XSGUZMABZZNYLY-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001035531112 819557320 /nfs/dbraw/zinc/55/73/20/819557320.db2.gz ZGUDRUAZCQKXJB-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001035531112 819557324 /nfs/dbraw/zinc/55/73/24/819557324.db2.gz ZGUDRUAZCQKXJB-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001035532993 819557453 /nfs/dbraw/zinc/55/74/53/819557453.db2.gz MAQJGZDWYZKQDI-GFCCVEGCSA-N 1 2 262.313 0.093 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001035532993 819557455 /nfs/dbraw/zinc/55/74/55/819557455.db2.gz MAQJGZDWYZKQDI-GFCCVEGCSA-N 1 2 262.313 0.093 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001035535324 819559276 /nfs/dbraw/zinc/55/92/76/819559276.db2.gz YOWUETYDJIXWOJ-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnnc2)C1 ZINC001035535324 819559279 /nfs/dbraw/zinc/55/92/79/819559279.db2.gz YOWUETYDJIXWOJ-CYBMUJFWSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC1(O)CC[NH+](CCS(=O)(=O)C(C)C)CC1 ZINC000708149938 819760191 /nfs/dbraw/zinc/76/01/91/819760191.db2.gz WPYLMBUACCMVNI-UHFFFAOYSA-N 1 2 259.371 0.270 20 30 CCEDLO C#CCNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001163372570 820047054 /nfs/dbraw/zinc/04/70/54/820047054.db2.gz QZXABWXWKGBQGB-UHFFFAOYSA-N 1 2 261.325 0.838 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001080019971 820501963 /nfs/dbraw/zinc/50/19/63/820501963.db2.gz CLWIEUFQWHPCSS-ADEWGFFLSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001080019971 820501966 /nfs/dbraw/zinc/50/19/66/820501966.db2.gz CLWIEUFQWHPCSS-ADEWGFFLSA-N 1 2 299.802 0.702 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001081557550 820788176 /nfs/dbraw/zinc/78/81/76/820788176.db2.gz HBSXNMAGSMLZDQ-VXGBXAGGSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001081557550 820788178 /nfs/dbraw/zinc/78/81/78/820788178.db2.gz HBSXNMAGSMLZDQ-VXGBXAGGSA-N 1 2 279.365 0.514 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@H](OC)C1 ZINC001082115931 820900570 /nfs/dbraw/zinc/90/05/70/820900570.db2.gz KLGJQSAOYZACQX-VXGBXAGGSA-N 1 2 277.324 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@H](OC)C1 ZINC001082115931 820900574 /nfs/dbraw/zinc/90/05/74/820900574.db2.gz KLGJQSAOYZACQX-VXGBXAGGSA-N 1 2 277.324 0.299 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2OC)C1 ZINC001082106218 820902771 /nfs/dbraw/zinc/90/27/71/820902771.db2.gz GTDXQLIRYPCIGK-IJLUTSLNSA-N 1 2 295.383 0.032 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2OC)C1 ZINC001082106218 820902772 /nfs/dbraw/zinc/90/27/72/820902772.db2.gz GTDXQLIRYPCIGK-IJLUTSLNSA-N 1 2 295.383 0.032 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@H](OC)C1 ZINC001082167414 820911115 /nfs/dbraw/zinc/91/11/15/820911115.db2.gz PPJMEFMOVQUYQI-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@H](OC)C1 ZINC001082167414 820911124 /nfs/dbraw/zinc/91/11/24/820911124.db2.gz PPJMEFMOVQUYQI-CHWSQXEVSA-N 1 2 293.754 0.797 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001082269217 820923391 /nfs/dbraw/zinc/92/33/91/820923391.db2.gz LFLXYBHLYBTVAD-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001082269217 820923397 /nfs/dbraw/zinc/92/33/97/820923397.db2.gz LFLXYBHLYBTVAD-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccc3)[C@H]2C1 ZINC001082984310 821089469 /nfs/dbraw/zinc/08/94/69/821089469.db2.gz YWXBWBSXZNEFCD-LSDHHAIUSA-N 1 2 270.332 0.845 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccc3)[C@H]2C1 ZINC001082984310 821089476 /nfs/dbraw/zinc/08/94/76/821089476.db2.gz YWXBWBSXZNEFCD-LSDHHAIUSA-N 1 2 270.332 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC=CCC3)[C@H]2C1 ZINC001082996823 821100208 /nfs/dbraw/zinc/10/02/08/821100208.db2.gz AHNFMVDHURTJBU-QLFBSQMISA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC=CCC3)[C@H]2C1 ZINC001082996823 821100214 /nfs/dbraw/zinc/10/02/14/821100214.db2.gz AHNFMVDHURTJBU-QLFBSQMISA-N 1 2 274.364 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCO3)[C@H]2C1 ZINC001083051858 821129874 /nfs/dbraw/zinc/12/98/74/821129874.db2.gz TZPBEBJUZUEGND-BFHYXJOUSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCO3)[C@H]2C1 ZINC001083051858 821129878 /nfs/dbraw/zinc/12/98/78/821129878.db2.gz TZPBEBJUZUEGND-BFHYXJOUSA-N 1 2 278.352 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)C3CCC3)[C@H]2C1 ZINC001083154519 821149241 /nfs/dbraw/zinc/14/92/41/821149241.db2.gz ZLGZCDNSQCMHHB-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](OC)C3CCC3)[C@H]2C1 ZINC001083154519 821149251 /nfs/dbraw/zinc/14/92/51/821149251.db2.gz ZLGZCDNSQCMHHB-RRFJBIMHSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001083943151 821162670 /nfs/dbraw/zinc/16/26/70/821162670.db2.gz SQOGXNZHTAQONQ-MNOVXSKESA-N 1 2 293.392 0.675 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001083943151 821162675 /nfs/dbraw/zinc/16/26/75/821162675.db2.gz SQOGXNZHTAQONQ-MNOVXSKESA-N 1 2 293.392 0.675 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(CCC)nc2C)[C@@H](O)C1 ZINC001083956590 821171378 /nfs/dbraw/zinc/17/13/78/821171378.db2.gz WEZOIDJLLSOIQU-NEPJUHHUSA-N 1 2 293.367 0.896 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(CCC)nc2C)[C@@H](O)C1 ZINC001083956590 821171385 /nfs/dbraw/zinc/17/13/85/821171385.db2.gz WEZOIDJLLSOIQU-NEPJUHHUSA-N 1 2 293.367 0.896 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084080659 821185176 /nfs/dbraw/zinc/18/51/76/821185176.db2.gz XDNOOLHVGJFJFO-IJEWVQPXSA-N 1 2 276.380 0.917 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084080659 821185182 /nfs/dbraw/zinc/18/51/82/821185182.db2.gz XDNOOLHVGJFJFO-IJEWVQPXSA-N 1 2 276.380 0.917 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084741196 821369663 /nfs/dbraw/zinc/36/96/63/821369663.db2.gz TURFUJQMCBJDLY-GHMZBOCLSA-N 1 2 259.313 0.008 20 30 CCEDLO C#CC[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(=O)OC ZINC000820352735 821441193 /nfs/dbraw/zinc/44/11/93/821441193.db2.gz GDXTWUVPIGXXHG-NSHDSACASA-N 1 2 277.324 0.608 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001231168842 821502763 /nfs/dbraw/zinc/50/27/63/821502763.db2.gz BQJBGZDMCXNNBZ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001231168842 821502768 /nfs/dbraw/zinc/50/27/68/821502768.db2.gz BQJBGZDMCXNNBZ-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO CCN(CC[NH2+]Cc1nc(C)no1)C(=O)CSCC#N ZINC001273273365 821544782 /nfs/dbraw/zinc/54/47/82/821544782.db2.gz AUGHWPFMQMDFEN-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]cc2F)C1 ZINC001108195534 821554562 /nfs/dbraw/zinc/55/45/62/821554562.db2.gz FKLPLWKENLCWRR-ZDUSSCGKSA-N 1 2 282.319 0.556 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]cc2F)C1 ZINC001108195534 821554567 /nfs/dbraw/zinc/55/45/67/821554567.db2.gz FKLPLWKENLCWRR-ZDUSSCGKSA-N 1 2 282.319 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085713149 821914949 /nfs/dbraw/zinc/91/49/49/821914949.db2.gz CKTYKBGNHWMUCQ-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)n1 ZINC001085713149 821914954 /nfs/dbraw/zinc/91/49/54/821914954.db2.gz CKTYKBGNHWMUCQ-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001085714558 821915158 /nfs/dbraw/zinc/91/51/58/821915158.db2.gz NFJUCPYTYHYVFA-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001085714558 821915165 /nfs/dbraw/zinc/91/51/65/821915165.db2.gz NFJUCPYTYHYVFA-LBPRGKRZSA-N 1 2 288.351 0.445 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085803107 821957610 /nfs/dbraw/zinc/95/76/10/821957610.db2.gz IKKOGSSFPRGLHF-VIFPVBQESA-N 1 2 250.277 0.328 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC001085803107 821957616 /nfs/dbraw/zinc/95/76/16/821957616.db2.gz IKKOGSSFPRGLHF-VIFPVBQESA-N 1 2 250.277 0.328 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085947448 822031671 /nfs/dbraw/zinc/03/16/71/822031671.db2.gz JCGLZYRPEAFUPY-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085947448 822031680 /nfs/dbraw/zinc/03/16/80/822031680.db2.gz JCGLZYRPEAFUPY-LLVKDONJSA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCOC)c1 ZINC001085950189 822032086 /nfs/dbraw/zinc/03/20/86/822032086.db2.gz ZBTJPGHTUAWSOD-CQSZACIVSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCOC)c1 ZINC001085950189 822032093 /nfs/dbraw/zinc/03/20/93/822032093.db2.gz ZBTJPGHTUAWSOD-CQSZACIVSA-N 1 2 290.367 0.309 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108225935 822035083 /nfs/dbraw/zinc/03/50/83/822035083.db2.gz DEFGEPJPJGJDCH-IJEWVQPXSA-N 1 2 294.395 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108225935 822035094 /nfs/dbraw/zinc/03/50/94/822035094.db2.gz DEFGEPJPJGJDCH-IJEWVQPXSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001085966387 822040410 /nfs/dbraw/zinc/04/04/10/822040410.db2.gz IMHJDZBOWRNCHK-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001085966387 822040419 /nfs/dbraw/zinc/04/04/19/822040419.db2.gz IMHJDZBOWRNCHK-LBPRGKRZSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc2n1CCCC2 ZINC001085981117 822050460 /nfs/dbraw/zinc/05/04/60/822050460.db2.gz FNBDLDYYUDJWJQ-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc2n1CCCC2 ZINC001085981117 822050469 /nfs/dbraw/zinc/05/04/69/822050469.db2.gz FNBDLDYYUDJWJQ-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1noc2c1COCC2 ZINC001085980571 822050848 /nfs/dbraw/zinc/05/08/48/822050848.db2.gz SCQSYJSAKIMKTJ-NSHDSACASA-N 1 2 289.335 0.527 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1noc2c1COCC2 ZINC001085980571 822050860 /nfs/dbraw/zinc/05/08/60/822050860.db2.gz SCQSYJSAKIMKTJ-NSHDSACASA-N 1 2 289.335 0.527 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086404805 822241958 /nfs/dbraw/zinc/24/19/58/822241958.db2.gz PKSKFVMQZKMKFE-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114019843 837405935 /nfs/dbraw/zinc/40/59/35/837405935.db2.gz BNGVGPQXQOVPSD-IMRBUKKESA-N 1 2 275.356 0.328 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001114019843 837405942 /nfs/dbraw/zinc/40/59/42/837405942.db2.gz BNGVGPQXQOVPSD-IMRBUKKESA-N 1 2 275.356 0.328 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935997 844115268 /nfs/dbraw/zinc/11/52/68/844115268.db2.gz OOJAOLAGICVMGW-UHFFFAOYSA-N 1 2 290.367 0.795 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001169130670 836146838 /nfs/dbraw/zinc/14/68/38/836146838.db2.gz PFWLRHGTNIVQIP-APPZFPTMSA-N 1 2 291.267 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2C)C[NH2+]1 ZINC001169130597 836146870 /nfs/dbraw/zinc/14/68/70/836146870.db2.gz OGMFFZYZGVUZPH-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001108486025 836286945 /nfs/dbraw/zinc/28/69/45/836286945.db2.gz YUVMLOLKAAUFAJ-JTQLQIEISA-N 1 2 284.323 0.258 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1cc(N2CCCCC2)ncn1 ZINC001156327921 836319899 /nfs/dbraw/zinc/31/98/99/836319899.db2.gz SEVCWARAJUNSJI-LBPRGKRZSA-N 1 2 272.356 0.769 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCCF)CC2=O)C1 ZINC001108563634 836451800 /nfs/dbraw/zinc/45/18/00/836451800.db2.gz QWWPAJKUETYUCP-LBPRGKRZSA-N 1 2 297.374 0.714 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169918069 836479296 /nfs/dbraw/zinc/47/92/96/836479296.db2.gz YSDVUSAXMNJZCP-NEPJUHHUSA-N 1 2 267.325 0.827 20 30 CCEDLO Cc1nc(N(C)C[C@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001108881079 836559303 /nfs/dbraw/zinc/55/93/03/836559303.db2.gz WUHVBPMPJUWRRQ-ZJUUUORDSA-N 1 2 261.329 0.886 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108933490 836579040 /nfs/dbraw/zinc/57/90/40/836579040.db2.gz SNIVUVMDCFSOKT-AGIUHOORSA-N 1 2 277.368 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108933490 836579050 /nfs/dbraw/zinc/57/90/50/836579050.db2.gz SNIVUVMDCFSOKT-AGIUHOORSA-N 1 2 277.368 0.113 20 30 CCEDLO CN(CCCNc1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633811 836706239 /nfs/dbraw/zinc/70/62/39/836706239.db2.gz RCZVWCORBZQCOH-UHFFFAOYSA-N 1 2 298.350 0.601 20 30 CCEDLO CC(C)COC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112718491 836881258 /nfs/dbraw/zinc/88/12/58/836881258.db2.gz LORNELSZHDMFJG-ZIAGYGMSSA-N 1 2 297.399 0.324 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001112770646 836901970 /nfs/dbraw/zinc/90/19/70/836901970.db2.gz TUACLPQYWHDHNG-ZDUSSCGKSA-N 1 2 293.371 0.186 20 30 CCEDLO C=CCC1(O)C[NH+](C[C@@H]2[C@@H](C(=O)OC)C2(F)F)C1 ZINC001184339390 844221473 /nfs/dbraw/zinc/22/14/73/844221473.db2.gz QHDALVFFYPCMLU-BDAKNGLRSA-N 1 2 261.268 0.664 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2nccn2C)CC1 ZINC001112995963 836989306 /nfs/dbraw/zinc/98/93/06/836989306.db2.gz GHCJMBPFJKFDDN-UHFFFAOYSA-N 1 2 278.356 0.267 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC001113062147 837013672 /nfs/dbraw/zinc/01/36/72/837013672.db2.gz KKGBMZNKEJMIFJ-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113081845 837017425 /nfs/dbraw/zinc/01/74/25/837017425.db2.gz KDWLEPKTLWLJIN-QWRGUYRKSA-N 1 2 299.338 0.550 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113154380 837037905 /nfs/dbraw/zinc/03/79/05/837037905.db2.gz CVEJRJOIXRPLDS-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113229537 837062314 /nfs/dbraw/zinc/06/23/14/837062314.db2.gz LSASJISJVSEMAG-KBPBESRZSA-N 1 2 284.400 0.598 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCn2cccn2)CC1 ZINC001113649929 837189280 /nfs/dbraw/zinc/18/92/80/837189280.db2.gz XYGAPUMZBRLSLK-UHFFFAOYSA-N 1 2 274.368 0.831 20 30 CCEDLO C=CCCOCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113709245 837201349 /nfs/dbraw/zinc/20/13/49/837201349.db2.gz NKQKVJCBFLBZPO-UHFFFAOYSA-N 1 2 292.383 0.620 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(OCC#N)cn1 ZINC001170338739 837321526 /nfs/dbraw/zinc/32/15/26/837321526.db2.gz YWFSYJJPPUQBID-UHFFFAOYSA-N 1 2 273.296 0.685 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1ccc(C#N)cn1 ZINC001113898287 837357623 /nfs/dbraw/zinc/35/76/23/837357623.db2.gz PTMMHMFYJPFWCB-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO N#C[C@@H](Nc1c(Br)ccc2[nH+]ccn21)C(N)=O ZINC001170543394 838008666 /nfs/dbraw/zinc/00/86/66/838008666.db2.gz ZEHULGIJYZXSMD-SSDOTTSWSA-N 1 2 294.112 0.886 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)OC)CC1 ZINC001131342292 838054785 /nfs/dbraw/zinc/05/47/85/838054785.db2.gz RPRQENKZYROWRT-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)OC)CC1 ZINC001131342292 838054791 /nfs/dbraw/zinc/05/47/91/838054791.db2.gz RPRQENKZYROWRT-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)CC[C@@H]1C ZINC001131748496 838202037 /nfs/dbraw/zinc/20/20/37/838202037.db2.gz VDNDYXDHURUVID-JQWIXIFHSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)CC[C@@H]1C ZINC001131748496 838202048 /nfs/dbraw/zinc/20/20/48/838202048.db2.gz VDNDYXDHURUVID-JQWIXIFHSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CC2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131747388 838203113 /nfs/dbraw/zinc/20/31/13/838203113.db2.gz KYMIQCVQOIRYCF-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CC2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131747388 838203125 /nfs/dbraw/zinc/20/31/25/838203125.db2.gz KYMIQCVQOIRYCF-WCQYABFASA-N 1 2 292.383 0.395 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001133379390 838614421 /nfs/dbraw/zinc/61/44/21/838614421.db2.gz ZQTJJXYRFWLTGC-AWEZNQCLSA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@H](C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)NCC#N ZINC001135944518 839476132 /nfs/dbraw/zinc/47/61/32/839476132.db2.gz KZVZPCUPTGZBFY-GHMZBOCLSA-N 1 2 263.345 0.359 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2[nH]ccc2C#N)C1 ZINC001186101311 844508747 /nfs/dbraw/zinc/50/87/47/844508747.db2.gz UKJRUXXQHMYDOO-JTQLQIEISA-N 1 2 276.296 0.320 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2[nH]ccc2C#N)C1 ZINC001186101311 844508751 /nfs/dbraw/zinc/50/87/51/844508751.db2.gz UKJRUXXQHMYDOO-JTQLQIEISA-N 1 2 276.296 0.320 20 30 CCEDLO Cc1[nH+]ccn1-c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)ncn1 ZINC001171362350 840950283 /nfs/dbraw/zinc/95/02/83/840950283.db2.gz CLFMUVOPZPFPCW-UFBFGSQYSA-N 1 2 288.311 0.619 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CCN2CC#N)C1 ZINC001036866373 841440015 /nfs/dbraw/zinc/44/00/15/841440015.db2.gz DLAFNVQMIXJPOW-OCCSQVGLSA-N 1 2 287.367 0.409 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc[nH]3)CC2=O)C1 ZINC001094701724 841709434 /nfs/dbraw/zinc/70/94/34/841709434.db2.gz RXSCRMVQEREIKG-NSHDSACASA-N 1 2 288.351 0.216 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172145857 841860714 /nfs/dbraw/zinc/86/07/14/841860714.db2.gz IDZWCRPXUJWLFG-VWYCJHECSA-N 1 2 286.397 0.591 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172145853 841860885 /nfs/dbraw/zinc/86/08/85/841860885.db2.gz IDZWCRPXUJWLFG-AXFHLTTASA-N 1 2 286.397 0.591 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCOC[C@@H]3C#N)cc2C1 ZINC001175076248 842229159 /nfs/dbraw/zinc/22/91/59/842229159.db2.gz COECSCCBGOQTPQ-LBPRGKRZSA-N 1 2 289.339 0.083 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)N3CCOC[C@@H]3C#N)cc2C1 ZINC001175076248 842229170 /nfs/dbraw/zinc/22/91/70/842229170.db2.gz COECSCCBGOQTPQ-LBPRGKRZSA-N 1 2 289.339 0.083 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177024800 842484877 /nfs/dbraw/zinc/48/48/77/842484877.db2.gz KTWIFUGFADGYCQ-KGLIPLIRSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177024800 842484882 /nfs/dbraw/zinc/48/48/82/842484882.db2.gz KTWIFUGFADGYCQ-KGLIPLIRSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2=Cc3cccn3C2=O)CC1 ZINC001177821231 842670373 /nfs/dbraw/zinc/67/03/73/842670373.db2.gz VUEBLEUYVNDSKY-UHFFFAOYSA-N 1 2 271.320 0.856 20 30 CCEDLO C=CC[C@@](C)(NC(=O)Cc1cc[nH+]c(N)c1)C(=O)OC ZINC001181277208 843439881 /nfs/dbraw/zinc/43/98/81/843439881.db2.gz RSFJITWIGIYWIS-CQSZACIVSA-N 1 2 277.324 0.830 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COC(=O)[C@H]2C)CC1 ZINC001182080814 843709901 /nfs/dbraw/zinc/70/99/01/843709901.db2.gz NWCKLMMGCQXIHX-QWRGUYRKSA-N 1 2 252.314 0.126 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC(=O)OC)CC1 ZINC001182611426 843875983 /nfs/dbraw/zinc/87/59/83/843875983.db2.gz YRNSWITWFIXMAZ-UHFFFAOYSA-N 1 2 268.357 0.906 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001188310171 844863797 /nfs/dbraw/zinc/86/37/97/844863797.db2.gz QCLMLQPPFSILMT-ZYHUDNBSSA-N 1 2 294.355 0.660 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001191236667 845618939 /nfs/dbraw/zinc/61/89/39/845618939.db2.gz DLLCTBNLTWQJRR-MGPQQGTHSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001191236667 845618945 /nfs/dbraw/zinc/61/89/45/845618945.db2.gz DLLCTBNLTWQJRR-MGPQQGTHSA-N 1 2 266.385 0.997 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001191481536 845658612 /nfs/dbraw/zinc/65/86/12/845658612.db2.gz BCLLPYFQAQWIAM-XCEACWERSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001191481536 845658617 /nfs/dbraw/zinc/65/86/17/845658617.db2.gz BCLLPYFQAQWIAM-XCEACWERSA-N 1 2 280.368 0.154 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001191724292 845717879 /nfs/dbraw/zinc/71/78/79/845717879.db2.gz ABQLKOHALUKWKT-VXGBXAGGSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001191724292 845717881 /nfs/dbraw/zinc/71/78/81/845717881.db2.gz ABQLKOHALUKWKT-VXGBXAGGSA-N 1 2 279.340 0.611 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192731429 845897268 /nfs/dbraw/zinc/89/72/68/845897268.db2.gz JOYHUMSSJKEMFM-ISESHHHUSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192731429 845897271 /nfs/dbraw/zinc/89/72/71/845897271.db2.gz JOYHUMSSJKEMFM-ISESHHHUSA-N 1 2 280.368 0.154 20 30 CCEDLO Cc1cccn2c(CNS(=O)(=O)CC#N)c[nH+]c12 ZINC001192988993 845947894 /nfs/dbraw/zinc/94/78/94/845947894.db2.gz WWEYEFYVUWIPMO-UHFFFAOYSA-N 1 2 264.310 0.586 20 30 CCEDLO N#CCS(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001192972341 845957622 /nfs/dbraw/zinc/95/76/22/845957622.db2.gz TWRQMXFJAZVPLR-UHFFFAOYSA-N 1 2 295.364 0.784 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC(=O)NCC)O2 ZINC001273654615 846022236 /nfs/dbraw/zinc/02/22/36/846022236.db2.gz HDFBXQJKRJVCNH-LBPRGKRZSA-N 1 2 295.383 0.048 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C#N)c2)C1 ZINC001194113993 846216374 /nfs/dbraw/zinc/21/63/74/846216374.db2.gz UPCHBXYETNGGIJ-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cncc(C#N)c2)C1 ZINC001194113993 846216384 /nfs/dbraw/zinc/21/63/84/846216384.db2.gz UPCHBXYETNGGIJ-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629101 846333387 /nfs/dbraw/zinc/33/33/87/846333387.db2.gz FSAZWJGZPPIVIC-UHFFFAOYSA-N 1 2 270.348 0.919 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629101 846333395 /nfs/dbraw/zinc/33/33/95/846333395.db2.gz FSAZWJGZPPIVIC-UHFFFAOYSA-N 1 2 270.348 0.919 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194725251 846379443 /nfs/dbraw/zinc/37/94/43/846379443.db2.gz BAOSSUYSDBMPBS-UHFFFAOYSA-N 1 2 285.413 0.186 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194725251 846379449 /nfs/dbraw/zinc/37/94/49/846379449.db2.gz BAOSSUYSDBMPBS-UHFFFAOYSA-N 1 2 285.413 0.186 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCOCC)CC1 ZINC001195240967 846492635 /nfs/dbraw/zinc/49/26/35/846492635.db2.gz WTKYBWJPZOVWLW-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOCC)CC1 ZINC001195240967 846492638 /nfs/dbraw/zinc/49/26/38/846492638.db2.gz WTKYBWJPZOVWLW-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)OCC)C1 ZINC001195517561 846561895 /nfs/dbraw/zinc/56/18/95/846561895.db2.gz AUHUUSKYKCQEOI-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)OCC)C1 ZINC001195517561 846561899 /nfs/dbraw/zinc/56/18/99/846561899.db2.gz AUHUUSKYKCQEOI-MCIONIFRSA-N 1 2 282.384 0.376 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780902 846623246 /nfs/dbraw/zinc/62/32/46/846623246.db2.gz NHFNFFFQPXLFSS-LBPRGKRZSA-N 1 2 279.384 0.444 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780902 846623250 /nfs/dbraw/zinc/62/32/50/846623250.db2.gz NHFNFFFQPXLFSS-LBPRGKRZSA-N 1 2 279.384 0.444 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001196009844 846665402 /nfs/dbraw/zinc/66/54/02/846665402.db2.gz FMVHCRGIHNPMQG-UHFFFAOYSA-N 1 2 296.371 0.072 20 30 CCEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001196009844 846665405 /nfs/dbraw/zinc/66/54/05/846665405.db2.gz FMVHCRGIHNPMQG-UHFFFAOYSA-N 1 2 296.371 0.072 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001273712420 846686739 /nfs/dbraw/zinc/68/67/39/846686739.db2.gz DWWSNVHEBKDSAV-QWHCGFSZSA-N 1 2 282.384 0.541 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774421 846803239 /nfs/dbraw/zinc/80/32/39/846803239.db2.gz FFWPXYSJPLQTIX-OLZOCXBDSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774421 846803242 /nfs/dbraw/zinc/80/32/42/846803242.db2.gz FFWPXYSJPLQTIX-OLZOCXBDSA-N 1 2 297.374 0.407 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001197244364 846887949 /nfs/dbraw/zinc/88/79/49/846887949.db2.gz RNBPCOVQANUUJN-JHJVBQTASA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001197244364 846887954 /nfs/dbraw/zinc/88/79/54/846887954.db2.gz RNBPCOVQANUUJN-JHJVBQTASA-N 1 2 252.358 0.463 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001251821527 847131783 /nfs/dbraw/zinc/13/17/83/847131783.db2.gz QUBSROUGAIOGPR-GFCCVEGCSA-N 1 2 269.341 0.463 20 30 CCEDLO C=C(C)CN1CC2(CN(CCn3cc[nH+]c3)C2)OCC1=O ZINC001273784929 847394906 /nfs/dbraw/zinc/39/49/06/847394906.db2.gz MEPJUUFUZWGNHX-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001252487849 847985679 /nfs/dbraw/zinc/98/56/79/847985679.db2.gz AKUCPVDJVHDKBQ-JTQLQIEISA-N 1 2 253.302 0.600 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000717691065 848283208 /nfs/dbraw/zinc/28/32/08/848283208.db2.gz UCXQCSBWVXCQES-UHFFFAOYSA-N 1 2 277.280 0.595 20 30 CCEDLO CCNC(=O)CNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031689 848312102 /nfs/dbraw/zinc/31/21/02/848312102.db2.gz XOZISRWPUHUDLX-LBPRGKRZSA-N 1 2 292.383 0.254 20 30 CCEDLO N#CCNC/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132595 848357499 /nfs/dbraw/zinc/35/74/99/848357499.db2.gz BQIABDPDSFJLCG-YYRQZUAOSA-N 1 2 273.340 0.231 20 30 CCEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354507 848457522 /nfs/dbraw/zinc/45/75/22/848457522.db2.gz LMPMFTMOHAKSMJ-AWEZNQCLSA-N 1 2 289.339 0.332 20 30 CCEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274354507 848457527 /nfs/dbraw/zinc/45/75/27/848457527.db2.gz LMPMFTMOHAKSMJ-AWEZNQCLSA-N 1 2 289.339 0.332 20 30 CCEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3nc[nH]n3)C2)C1=O ZINC001274354507 848457534 /nfs/dbraw/zinc/45/75/34/848457534.db2.gz LMPMFTMOHAKSMJ-AWEZNQCLSA-N 1 2 289.339 0.332 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615249 848523567 /nfs/dbraw/zinc/52/35/67/848523567.db2.gz RDJVKZKMDIDLLI-MELADBBJSA-N 1 2 284.306 0.131 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@](C)(O)C=C)C[C@@]2(F)C1=O ZINC001274615249 848523570 /nfs/dbraw/zinc/52/35/70/848523570.db2.gz RDJVKZKMDIDLLI-MELADBBJSA-N 1 2 284.306 0.131 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001275403724 848710382 /nfs/dbraw/zinc/71/03/82/848710382.db2.gz LDKNDTBNOOXFPJ-MNOVXSKESA-N 1 2 296.396 0.561 20 30 CCEDLO C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)N(C)CC#N ZINC001275865133 848849559 /nfs/dbraw/zinc/84/95/59/848849559.db2.gz FTJDIGFXQZWNCN-NWDGAFQWSA-N 1 2 275.356 0.406 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001276063071 848913449 /nfs/dbraw/zinc/91/34/49/848913449.db2.gz YPLHKXCEULBFRH-SOUVJXGZSA-N 1 2 290.407 0.999 20 30 CCEDLO C=CCOCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095492663 848951828 /nfs/dbraw/zinc/95/18/28/848951828.db2.gz OJSBUKUUGHMPKG-UHFFFAOYSA-N 1 2 278.356 0.930 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1nccnc1C#N ZINC001095582904 848993072 /nfs/dbraw/zinc/99/30/72/848993072.db2.gz RKFKFLAULMYZIU-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001257052382 849002293 /nfs/dbraw/zinc/00/22/93/849002293.db2.gz OGWSXVQABMRACL-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO CCCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276343894 849433725 /nfs/dbraw/zinc/43/37/25/849433725.db2.gz ZRSGPDLSXLBTRT-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO CC#CC[NH+]1CC([C@@H](C)NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001276377031 849797001 /nfs/dbraw/zinc/79/70/01/849797001.db2.gz RFIOFNQONAFQQV-SNVBAGLBSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038401185 849879529 /nfs/dbraw/zinc/87/95/29/849879529.db2.gz OPWWKXVQBFKCMU-VIFPVBQESA-N 1 2 280.278 0.852 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038401185 849879536 /nfs/dbraw/zinc/87/95/36/849879536.db2.gz OPWWKXVQBFKCMU-VIFPVBQESA-N 1 2 280.278 0.852 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001038429280 849892694 /nfs/dbraw/zinc/89/26/94/849892694.db2.gz MMUPQQVAJUOFPG-GFCCVEGCSA-N 1 2 288.351 0.719 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001038429280 849892700 /nfs/dbraw/zinc/89/27/00/849892700.db2.gz MMUPQQVAJUOFPG-GFCCVEGCSA-N 1 2 288.351 0.719 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001038434334 849894788 /nfs/dbraw/zinc/89/47/88/849894788.db2.gz WSVZVBZQZRYQMG-STQMWFEESA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001038434334 849894794 /nfs/dbraw/zinc/89/47/94/849894794.db2.gz WSVZVBZQZRYQMG-STQMWFEESA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038449124 849902974 /nfs/dbraw/zinc/90/29/74/849902974.db2.gz PSULFZLNVHWDMJ-NSHDSACASA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038449124 849902979 /nfs/dbraw/zinc/90/29/79/849902979.db2.gz PSULFZLNVHWDMJ-NSHDSACASA-N 1 2 260.341 0.970 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038446034 849903591 /nfs/dbraw/zinc/90/35/91/849903591.db2.gz NPFLIEQEPOZDLC-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038446034 849903607 /nfs/dbraw/zinc/90/36/07/849903607.db2.gz NPFLIEQEPOZDLC-NSHDSACASA-N 1 2 272.352 0.726 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038494439 849919538 /nfs/dbraw/zinc/91/95/38/849919538.db2.gz WNTSSVJFULZIMC-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038494439 849919545 /nfs/dbraw/zinc/91/95/45/849919545.db2.gz WNTSSVJFULZIMC-JTQLQIEISA-N 1 2 280.759 0.901 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038489793 849919770 /nfs/dbraw/zinc/91/97/70/849919770.db2.gz NZVDAMNEBBOESE-VIFPVBQESA-N 1 2 263.297 0.369 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038489793 849919776 /nfs/dbraw/zinc/91/97/76/849919776.db2.gz NZVDAMNEBBOESE-VIFPVBQESA-N 1 2 263.297 0.369 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)n1 ZINC001038501888 849924722 /nfs/dbraw/zinc/92/47/22/849924722.db2.gz KALBYCZSQANLNP-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)n1 ZINC001038501888 849924731 /nfs/dbraw/zinc/92/47/31/849924731.db2.gz KALBYCZSQANLNP-NSHDSACASA-N 1 2 274.324 0.313 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)C(=O)NC)cc1 ZINC001038580899 849948540 /nfs/dbraw/zinc/94/85/40/849948540.db2.gz FBCNXGOBDXTFSF-SWLSCSKDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)C(=O)NC)cc1 ZINC001038580899 849948548 /nfs/dbraw/zinc/94/85/48/849948548.db2.gz FBCNXGOBDXTFSF-SWLSCSKDSA-N 1 2 299.374 0.607 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038903949 850075410 /nfs/dbraw/zinc/07/54/10/850075410.db2.gz DYKZDHYVHZUTPQ-GFCCVEGCSA-N 1 2 257.337 0.941 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038903949 850075417 /nfs/dbraw/zinc/07/54/17/850075417.db2.gz DYKZDHYVHZUTPQ-GFCCVEGCSA-N 1 2 257.337 0.941 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038968863 850106035 /nfs/dbraw/zinc/10/60/35/850106035.db2.gz VCHJWHNIRYGMQU-NSHDSACASA-N 1 2 278.331 0.695 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038968863 850106039 /nfs/dbraw/zinc/10/60/39/850106039.db2.gz VCHJWHNIRYGMQU-NSHDSACASA-N 1 2 278.331 0.695 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989676 850113776 /nfs/dbraw/zinc/11/37/76/850113776.db2.gz BVHYTFPCAAUYQT-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989676 850113781 /nfs/dbraw/zinc/11/37/81/850113781.db2.gz BVHYTFPCAAUYQT-GFCCVEGCSA-N 1 2 298.350 0.260 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001039097980 850154585 /nfs/dbraw/zinc/15/45/85/850154585.db2.gz RITRUGSDUCRCGE-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001039097980 850154588 /nfs/dbraw/zinc/15/45/88/850154588.db2.gz RITRUGSDUCRCGE-LBPRGKRZSA-N 1 2 286.335 0.008 20 30 CCEDLO N#CCN1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464056 850293296 /nfs/dbraw/zinc/29/32/96/850293296.db2.gz KFVFDZOZQKGEGW-OAHLLOKOSA-N 1 2 287.367 0.790 20 30 CCEDLO C=C(C)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570072 850700698 /nfs/dbraw/zinc/70/06/98/850700698.db2.gz MFFQWTAFHXOJIX-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C=C(C)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570072 850700703 /nfs/dbraw/zinc/70/07/03/850700703.db2.gz MFFQWTAFHXOJIX-ZDUSSCGKSA-N 1 2 267.373 0.036 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnnc(C)c2)C1 ZINC001042659885 850727278 /nfs/dbraw/zinc/72/72/78/850727278.db2.gz BNBMBTHDJOXROX-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC001043123066 850818283 /nfs/dbraw/zinc/81/82/83/850818283.db2.gz ANMQARWKCKSVLA-NSHDSACASA-N 1 2 273.340 0.112 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001043286658 850846732 /nfs/dbraw/zinc/84/67/32/850846732.db2.gz JQFIHORYCZTVAG-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cc(C)nn2C)C1 ZINC001043332751 850854579 /nfs/dbraw/zinc/85/45/79/850854579.db2.gz VWFHUZRFOTYGFG-UHFFFAOYSA-N 1 2 276.384 0.990 20 30 CCEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001043506658 850886144 /nfs/dbraw/zinc/88/61/44/850886144.db2.gz GLILFIWJEWVJPN-UHFFFAOYSA-N 1 2 263.345 0.836 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3cccnc23)C1 ZINC001043505100 850886872 /nfs/dbraw/zinc/88/68/72/850886872.db2.gz ZXHIGZZSWGEXSY-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001043896153 850960805 /nfs/dbraw/zinc/96/08/05/850960805.db2.gz NWSRULXWSVQHQZ-OLZOCXBDSA-N 1 2 250.342 0.906 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(=O)N2CCC(C)CC2)C1 ZINC001044014911 850985400 /nfs/dbraw/zinc/98/54/00/850985400.db2.gz GTCJTNJNVNKXEB-UHFFFAOYSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001044179840 851035104 /nfs/dbraw/zinc/03/51/04/851035104.db2.gz BBGZYKBPIMROHR-UHFFFAOYSA-N 1 2 287.323 0.377 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC001044962714 851194455 /nfs/dbraw/zinc/19/44/55/851194455.db2.gz PBRLHFPCUHXHRJ-ONGXEEELSA-N 1 2 277.328 0.618 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001045997181 851344857 /nfs/dbraw/zinc/34/48/57/851344857.db2.gz MJWMYHZPYWZDPM-OAHLLOKOSA-N 1 2 290.411 0.919 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046283343 851451716 /nfs/dbraw/zinc/45/17/16/851451716.db2.gz JCHZBRFWYYLCKT-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046283343 851451720 /nfs/dbraw/zinc/45/17/20/851451720.db2.gz JCHZBRFWYYLCKT-GFCCVEGCSA-N 1 2 283.763 0.762 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2snnc2CC)C1 ZINC001046459377 851516148 /nfs/dbraw/zinc/51/61/48/851516148.db2.gz ZXAGTIRXSHMVKB-ZDUSSCGKSA-N 1 2 278.381 0.928 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2snnc2CC)C1 ZINC001046459377 851516152 /nfs/dbraw/zinc/51/61/52/851516152.db2.gz ZXAGTIRXSHMVKB-ZDUSSCGKSA-N 1 2 278.381 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046587661 851557157 /nfs/dbraw/zinc/55/71/57/851557157.db2.gz LJFVHIDJIILSCX-SKDRFNHKSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046587661 851557159 /nfs/dbraw/zinc/55/71/59/851557159.db2.gz LJFVHIDJIILSCX-SKDRFNHKSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770077 851609148 /nfs/dbraw/zinc/60/91/48/851609148.db2.gz BYUDDDSABPYLEJ-XHDPSFHLSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770077 851609154 /nfs/dbraw/zinc/60/91/54/851609154.db2.gz BYUDDDSABPYLEJ-XHDPSFHLSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770077 851609159 /nfs/dbraw/zinc/60/91/59/851609159.db2.gz BYUDDDSABPYLEJ-XHDPSFHLSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770077 851609162 /nfs/dbraw/zinc/60/91/62/851609162.db2.gz BYUDDDSABPYLEJ-XHDPSFHLSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001047412612 851753016 /nfs/dbraw/zinc/75/30/16/851753016.db2.gz BLQZXNUWRWDJOW-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001047412612 851753019 /nfs/dbraw/zinc/75/30/19/851753019.db2.gz BLQZXNUWRWDJOW-RYUDHWBXSA-N 1 2 289.335 0.302 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446029 852279142 /nfs/dbraw/zinc/27/91/42/852279142.db2.gz GGMJRRYQQRDLKT-STQMWFEESA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626181 852322284 /nfs/dbraw/zinc/32/22/84/852322284.db2.gz OWOIBDLZHYADET-KBPBESRZSA-N 1 2 287.367 0.862 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#N ZINC001049868685 852389349 /nfs/dbraw/zinc/38/93/49/852389349.db2.gz VWFKGWFZHOBSDA-KGLIPLIRSA-N 1 2 287.367 0.850 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363847 852531183 /nfs/dbraw/zinc/53/11/83/852531183.db2.gz RUVUCOCHFGYYIX-SYQHCUMBSA-N 1 2 299.378 0.691 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ncccn1)CCO2 ZINC001053477057 852747079 /nfs/dbraw/zinc/74/70/79/852747079.db2.gz OLXDKMOAQDMKGF-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCOCC1)CO2 ZINC001053717868 852787665 /nfs/dbraw/zinc/78/76/65/852787665.db2.gz WFHVTWPDGOSWLP-AWEZNQCLSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053739124 852796315 /nfs/dbraw/zinc/79/63/15/852796315.db2.gz ZUBLIAIXSNEQDP-GFCCVEGCSA-N 1 2 273.336 0.611 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053818028 852828324 /nfs/dbraw/zinc/82/83/24/852828324.db2.gz XIYBBMBUUZLRKI-CYBMUJFWSA-N 1 2 273.336 0.611 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsn1)CO2 ZINC001053839911 852832674 /nfs/dbraw/zinc/83/26/74/852832674.db2.gz RBMXASFRWLSBTB-NSHDSACASA-N 1 2 291.376 0.740 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnnc1)CO2 ZINC001053936422 852850852 /nfs/dbraw/zinc/85/08/52/852850852.db2.gz LCIUCUSDVPXENJ-ZDUSSCGKSA-N 1 2 286.335 0.073 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001097921915 852860282 /nfs/dbraw/zinc/86/02/82/852860282.db2.gz MYZGMLCVRMYWTD-LLVKDONJSA-N 1 2 284.323 0.767 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]cnc1C)CO2 ZINC001054026138 852873510 /nfs/dbraw/zinc/87/35/10/852873510.db2.gz QQWXYZCSPUEOQJ-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 ZINC001097975064 853059940 /nfs/dbraw/zinc/05/99/40/853059940.db2.gz HQMNSLAXJUZHLA-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO N#CCN1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050153103 853326030 /nfs/dbraw/zinc/32/60/30/853326030.db2.gz JXDKTVXMPVEYLL-WCQYABFASA-N 1 2 273.340 0.399 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncnc1C ZINC001050828569 853451267 /nfs/dbraw/zinc/45/12/67/853451267.db2.gz RGPWMEIFFCSGCD-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncnc1C ZINC001050828569 853451270 /nfs/dbraw/zinc/45/12/70/853451270.db2.gz RGPWMEIFFCSGCD-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)[nH]1 ZINC001050879249 853472653 /nfs/dbraw/zinc/47/26/53/853472653.db2.gz KSCBXMHKHWZJGI-ZDUSSCGKSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)[nH]1 ZINC001050879249 853472659 /nfs/dbraw/zinc/47/26/59/853472659.db2.gz KSCBXMHKHWZJGI-ZDUSSCGKSA-N 1 2 288.351 0.727 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001050900305 853479276 /nfs/dbraw/zinc/47/92/76/853479276.db2.gz HGHRYNMDWGQJTQ-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001050900305 853479285 /nfs/dbraw/zinc/47/92/85/853479285.db2.gz HGHRYNMDWGQJTQ-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001051269869 853558360 /nfs/dbraw/zinc/55/83/60/853558360.db2.gz DUKKWBFYLLRXBV-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001051269869 853558366 /nfs/dbraw/zinc/55/83/66/853558366.db2.gz DUKKWBFYLLRXBV-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051965089 853665880 /nfs/dbraw/zinc/66/58/80/853665880.db2.gz SUTUPEYNPDTUJE-OAHLLOKOSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051988134 853669342 /nfs/dbraw/zinc/66/93/42/853669342.db2.gz USKOMJLXLCFGDG-CABCVRRESA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)CC1 ZINC001052024737 853677814 /nfs/dbraw/zinc/67/78/14/853677814.db2.gz LJVKPBNTQHKHOF-QWHCGFSZSA-N 1 2 297.349 0.493 20 30 CCEDLO CC[C@@H](F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052063549 853679929 /nfs/dbraw/zinc/67/99/29/853679929.db2.gz VTOXZYOMNUTSNX-QWHCGFSZSA-N 1 2 282.363 0.477 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069896184 853996958 /nfs/dbraw/zinc/99/69/58/853996958.db2.gz CLQFRZQAQYLUPS-OLZOCXBDSA-N 1 2 287.323 0.712 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001069896184 853996963 /nfs/dbraw/zinc/99/69/63/853996963.db2.gz CLQFRZQAQYLUPS-OLZOCXBDSA-N 1 2 287.323 0.712 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1NCC#N ZINC001070695066 854088112 /nfs/dbraw/zinc/08/81/12/854088112.db2.gz NGSPTIMAUJDOJC-FRRDWIJNSA-N 1 2 299.378 0.628 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001070937812 854104190 /nfs/dbraw/zinc/10/41/90/854104190.db2.gz YMGZSYPXPGIBDL-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001070937812 854104196 /nfs/dbraw/zinc/10/41/96/854104196.db2.gz YMGZSYPXPGIBDL-ZDUSSCGKSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001070996128 854113086 /nfs/dbraw/zinc/11/30/86/854113086.db2.gz IOQBPHPGHOBLSB-KGLIPLIRSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001070996128 854113091 /nfs/dbraw/zinc/11/30/91/854113091.db2.gz IOQBPHPGHOBLSB-KGLIPLIRSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)CC[C@H]1C ZINC001071537151 854232250 /nfs/dbraw/zinc/23/22/50/854232250.db2.gz UNCCAWIHSNTPJR-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)CC[C@H]1C ZINC001071537151 854232256 /nfs/dbraw/zinc/23/22/56/854232256.db2.gz UNCCAWIHSNTPJR-NEPJUHHUSA-N 1 2 297.790 1.000 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1CC#N ZINC001071847091 854307213 /nfs/dbraw/zinc/30/72/13/854307213.db2.gz HUWYRBWFHYNCDP-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128108 854676823 /nfs/dbraw/zinc/67/68/23/854676823.db2.gz MNVHECVDHFJISH-ZIAGYGMSSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128108 854676826 /nfs/dbraw/zinc/67/68/26/854676826.db2.gz MNVHECVDHFJISH-ZIAGYGMSSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235075 854703298 /nfs/dbraw/zinc/70/32/98/854703298.db2.gz DAWBFXZTRRTFJF-CVEARBPZSA-N 1 2 286.375 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074235075 854703301 /nfs/dbraw/zinc/70/33/01/854703301.db2.gz DAWBFXZTRRTFJF-CVEARBPZSA-N 1 2 286.375 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001074285370 854707947 /nfs/dbraw/zinc/70/79/47/854707947.db2.gz ZKRYTIOSVAUMMY-STQMWFEESA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001074285370 854707948 /nfs/dbraw/zinc/70/79/48/854707948.db2.gz ZKRYTIOSVAUMMY-STQMWFEESA-N 1 2 291.355 0.296 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(C)C)C2)nn1 ZINC001098600663 854873007 /nfs/dbraw/zinc/87/30/07/854873007.db2.gz FOUWCKSRWCSBPS-CQSZACIVSA-N 1 2 289.383 0.820 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001099405400 854932537 /nfs/dbraw/zinc/93/25/37/854932537.db2.gz PKZPVUYQUWCWRE-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001099406249 854933143 /nfs/dbraw/zinc/93/31/43/854933143.db2.gz YCZRZCRGAACJIP-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccncc1C#N ZINC001099405999 854933176 /nfs/dbraw/zinc/93/31/76/854933176.db2.gz VNFIDUVCGDKQRA-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOCC)[C@H](O)C1 ZINC001099729179 854979305 /nfs/dbraw/zinc/97/93/05/854979305.db2.gz DERBGXXBVCAMOM-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOCC)[C@H](O)C1 ZINC001099729179 854979308 /nfs/dbraw/zinc/97/93/08/854979308.db2.gz DERBGXXBVCAMOM-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C[C@@H]1O ZINC001099977632 855058575 /nfs/dbraw/zinc/05/85/75/855058575.db2.gz ZZFBWLNBFSHENW-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C[C@@H]1O ZINC001099977632 855058583 /nfs/dbraw/zinc/05/85/83/855058583.db2.gz ZZFBWLNBFSHENW-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C#CCOCCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100619387 855198840 /nfs/dbraw/zinc/19/88/40/855198840.db2.gz ROYIWZYZIOPJFW-UHFFFAOYSA-N 1 2 290.367 0.767 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)c1nccn12 ZINC001101617125 855327039 /nfs/dbraw/zinc/32/70/39/855327039.db2.gz KSQMCXWYYNRSRV-RYUDHWBXSA-N 1 2 285.351 0.801 20 30 CCEDLO CN(CCNc1ccc(C#N)nc1)C(=O)Cn1cc[nH+]c1 ZINC001101673123 855340283 /nfs/dbraw/zinc/34/02/83/855340283.db2.gz ZHOKFKQWBDKBRD-UHFFFAOYSA-N 1 2 284.323 0.720 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001101975476 855402721 /nfs/dbraw/zinc/40/27/21/855402721.db2.gz CZPLDXIPOSPPIO-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO N#CCNC1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115788372 855694906 /nfs/dbraw/zinc/69/49/06/855694906.db2.gz BOCYFQHFFVGZMD-UHFFFAOYSA-N 1 2 275.356 0.884 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC001116850056 855847488 /nfs/dbraw/zinc/84/74/88/855847488.db2.gz FHXUVIONIOPDTN-FRRDWIJNSA-N 1 2 251.330 0.516 20 30 CCEDLO CC(=O)NC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC001116850056 855847489 /nfs/dbraw/zinc/84/74/89/855847489.db2.gz FHXUVIONIOPDTN-FRRDWIJNSA-N 1 2 251.330 0.516 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC001117999809 856132342 /nfs/dbraw/zinc/13/23/42/856132342.db2.gz GCBCBLCUWPBWKT-CQSZACIVSA-N 1 2 292.379 0.289 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC001117999809 856132345 /nfs/dbraw/zinc/13/23/45/856132345.db2.gz GCBCBLCUWPBWKT-CQSZACIVSA-N 1 2 292.379 0.289 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC(=O)NCC(C)C)nn1 ZINC001118629848 856372565 /nfs/dbraw/zinc/37/25/65/856372565.db2.gz WZDBMXKSFCOWDI-UHFFFAOYSA-N 1 2 265.361 0.716 20 30 CCEDLO C=C(C)Cn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001119647796 856808492 /nfs/dbraw/zinc/80/84/92/856808492.db2.gz MNXRRMVAOJGYAO-UHFFFAOYSA-N 1 2 299.382 0.966 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnon2)CC1 ZINC001393055539 912363166 /nfs/dbraw/zinc/36/31/66/912363166.db2.gz BWBBJEZOSKAHCP-JTQLQIEISA-N 1 2 277.328 0.700 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](CNCC#N)C1CCCC1 ZINC001324509637 912880705 /nfs/dbraw/zinc/88/07/05/912880705.db2.gz LSKJGAAFCZSTFC-AWEZNQCLSA-N 1 2 289.383 0.751 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001324590197 912922238 /nfs/dbraw/zinc/92/22/38/912922238.db2.gz VHRYFZHSEXHGHM-AWEZNQCLSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001324590197 912922254 /nfs/dbraw/zinc/92/22/54/912922254.db2.gz VHRYFZHSEXHGHM-AWEZNQCLSA-N 1 2 277.372 0.862 20 30 CCEDLO N#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001324741374 913009003 /nfs/dbraw/zinc/00/90/03/913009003.db2.gz GMKYSEITXMCZCY-GFCCVEGCSA-N 1 2 280.372 0.526 20 30 CCEDLO N#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001324741374 913009019 /nfs/dbraw/zinc/00/90/19/913009019.db2.gz GMKYSEITXMCZCY-GFCCVEGCSA-N 1 2 280.372 0.526 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001324915085 913097478 /nfs/dbraw/zinc/09/74/78/913097478.db2.gz PIYXAIFNKWRDPL-NWDGAFQWSA-N 1 2 261.325 0.336 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc[nH]c2CC)C1 ZINC001325207130 913278160 /nfs/dbraw/zinc/27/81/60/913278160.db2.gz DRNBVOKPZISRLL-UHFFFAOYSA-N 1 2 275.352 0.377 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC001325205762 913278254 /nfs/dbraw/zinc/27/82/54/913278254.db2.gz HIXDLKCZCNWSAK-NSHDSACASA-N 1 2 295.339 0.420 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC001325205762 913278274 /nfs/dbraw/zinc/27/82/74/913278274.db2.gz HIXDLKCZCNWSAK-NSHDSACASA-N 1 2 295.339 0.420 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001325218083 913287922 /nfs/dbraw/zinc/28/79/22/913287922.db2.gz WSEDKAUKWQLURM-KBPBESRZSA-N 1 2 278.396 0.999 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ocnc1C ZINC001394830282 913454294 /nfs/dbraw/zinc/45/42/94/913454294.db2.gz RQUKIRLKVPHJPB-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ocnc1C ZINC001394830282 913454300 /nfs/dbraw/zinc/45/43/00/913454300.db2.gz RQUKIRLKVPHJPB-LLVKDONJSA-N 1 2 294.355 0.707 20 30 CCEDLO C=CCCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001325820404 913587570 /nfs/dbraw/zinc/58/75/70/913587570.db2.gz RVZSBINHVXGECA-CYBMUJFWSA-N 1 2 258.337 0.865 20 30 CCEDLO C=CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001325820404 913587581 /nfs/dbraw/zinc/58/75/81/913587581.db2.gz RVZSBINHVXGECA-CYBMUJFWSA-N 1 2 258.337 0.865 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccoc1CC(N)=O ZINC001480905342 891732713 /nfs/dbraw/zinc/73/27/13/891732713.db2.gz RPSPZNUOPVFSLH-UHFFFAOYSA-N 1 2 299.758 0.722 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccoc1CC(N)=O ZINC001480905342 891732723 /nfs/dbraw/zinc/73/27/23/891732723.db2.gz RPSPZNUOPVFSLH-UHFFFAOYSA-N 1 2 299.758 0.722 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481397695 892611241 /nfs/dbraw/zinc/61/12/41/892611241.db2.gz RLARKFBFSBKWFG-CYBMUJFWSA-N 1 2 277.368 0.198 20 30 CCEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481397695 892611246 /nfs/dbraw/zinc/61/12/46/892611246.db2.gz RLARKFBFSBKWFG-CYBMUJFWSA-N 1 2 277.368 0.198 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC1C[NH+](CCCO)C1)OCC ZINC001481562386 892832520 /nfs/dbraw/zinc/83/25/20/892832520.db2.gz DGAMNTCDYMOCCX-ZDUSSCGKSA-N 1 2 270.373 0.541 20 30 CCEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001481576446 892851747 /nfs/dbraw/zinc/85/17/47/892851747.db2.gz LUMXLCGGCMSISZ-UHFFFAOYSA-N 1 2 276.384 0.975 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001481617778 892911249 /nfs/dbraw/zinc/91/12/49/892911249.db2.gz RBGPIUFGLGIXPX-GFCCVEGCSA-N 1 2 290.367 0.788 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001481688254 893002911 /nfs/dbraw/zinc/00/29/11/893002911.db2.gz YQPSKGIVOMQJMQ-ZDUSSCGKSA-N 1 2 277.368 0.139 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001481688254 893002931 /nfs/dbraw/zinc/00/29/31/893002931.db2.gz YQPSKGIVOMQJMQ-ZDUSSCGKSA-N 1 2 277.368 0.139 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001481691539 893013072 /nfs/dbraw/zinc/01/30/72/893013072.db2.gz ZWFHFRWGLJFTQU-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001481691539 893013091 /nfs/dbraw/zinc/01/30/91/893013091.db2.gz ZWFHFRWGLJFTQU-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC(C)=O)C1 ZINC001481713022 893070908 /nfs/dbraw/zinc/07/09/08/893070908.db2.gz KABCCHWCUSKQJM-OAHLLOKOSA-N 1 2 294.395 0.928 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC(C)=O)C1 ZINC001481713022 893070928 /nfs/dbraw/zinc/07/09/28/893070928.db2.gz KABCCHWCUSKQJM-OAHLLOKOSA-N 1 2 294.395 0.928 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481721297 893093251 /nfs/dbraw/zinc/09/32/51/893093251.db2.gz RBYLBYAHXHHILU-GFCCVEGCSA-N 1 2 278.356 0.125 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481721297 893093270 /nfs/dbraw/zinc/09/32/70/893093270.db2.gz RBYLBYAHXHHILU-GFCCVEGCSA-N 1 2 278.356 0.125 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481761557 893125524 /nfs/dbraw/zinc/12/55/24/893125524.db2.gz MPJCJQYRHSBJAP-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481761557 893125532 /nfs/dbraw/zinc/12/55/32/893125532.db2.gz MPJCJQYRHSBJAP-OLZOCXBDSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCOC1 ZINC001496672708 893367392 /nfs/dbraw/zinc/36/73/92/893367392.db2.gz SWBJRWFYMNFPKC-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCOC1 ZINC001496672708 893367409 /nfs/dbraw/zinc/36/74/09/893367409.db2.gz SWBJRWFYMNFPKC-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@H+](C)CC(=O)NC(C)(C)C ZINC001496674912 893402309 /nfs/dbraw/zinc/40/23/09/893402309.db2.gz ASRVZVISFFMCAV-UHFFFAOYSA-N 1 2 299.415 0.494 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001496674912 893402317 /nfs/dbraw/zinc/40/23/17/893402317.db2.gz ASRVZVISFFMCAV-UHFFFAOYSA-N 1 2 299.415 0.494 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001408940533 893425033 /nfs/dbraw/zinc/42/50/33/893425033.db2.gz WEXRBIKVQDLMSR-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001482190277 893483677 /nfs/dbraw/zinc/48/36/77/893483677.db2.gz KXTDNULUCFAODK-CYBMUJFWSA-N 1 2 292.383 0.518 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001482190277 893483689 /nfs/dbraw/zinc/48/36/89/893483689.db2.gz KXTDNULUCFAODK-CYBMUJFWSA-N 1 2 292.383 0.518 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC2(CC2)C1 ZINC001482627172 894429173 /nfs/dbraw/zinc/42/91/73/894429173.db2.gz QTSFQQWHWPTSKY-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC2(CC2)C1 ZINC001482627172 894429191 /nfs/dbraw/zinc/42/91/91/894429191.db2.gz QTSFQQWHWPTSKY-UHFFFAOYSA-N 1 2 291.395 0.316 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N)o1 ZINC001482990693 894777633 /nfs/dbraw/zinc/77/76/33/894777633.db2.gz GORBQQHELDUUKS-TYRPZCRBSA-N 1 2 263.301 0.300 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409350649 895148777 /nfs/dbraw/zinc/14/87/77/895148777.db2.gz BNKKSDSBJXUTDE-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409350649 895148781 /nfs/dbraw/zinc/14/87/81/895148781.db2.gz BNKKSDSBJXUTDE-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001396786372 913959563 /nfs/dbraw/zinc/95/95/63/913959563.db2.gz SJFSCYBNWXGKGE-VXGBXAGGSA-N 1 2 289.339 0.102 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001483327213 895458909 /nfs/dbraw/zinc/45/89/09/895458909.db2.gz GHCPZGCCDDFGAW-GFCCVEGCSA-N 1 2 289.807 0.508 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001483327213 895458916 /nfs/dbraw/zinc/45/89/16/895458916.db2.gz GHCPZGCCDDFGAW-GFCCVEGCSA-N 1 2 289.807 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001483691392 895864478 /nfs/dbraw/zinc/86/44/78/895864478.db2.gz GXBTVKIHRGWYHZ-UKRRQHHQSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001483691392 895864482 /nfs/dbraw/zinc/86/44/82/895864482.db2.gz GXBTVKIHRGWYHZ-UKRRQHHQSA-N 1 2 277.368 0.069 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(Cc2nc(C#N)cs2)CC1 ZINC001365331230 895906280 /nfs/dbraw/zinc/90/62/80/895906280.db2.gz BIWOFDLHUXTXPY-UHFFFAOYSA-N 1 2 293.396 0.268 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(Cc2nc(C#N)cs2)CC1 ZINC001365331230 895906292 /nfs/dbraw/zinc/90/62/92/895906292.db2.gz BIWOFDLHUXTXPY-UHFFFAOYSA-N 1 2 293.396 0.268 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2cn(C)nc2C)C1 ZINC001483881281 896104329 /nfs/dbraw/zinc/10/43/29/896104329.db2.gz HZMGWIKHZCFOHL-UHFFFAOYSA-N 1 2 276.384 0.990 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001484305295 896334878 /nfs/dbraw/zinc/33/48/78/896334878.db2.gz RPVOIFNIEWBRQV-CYBMUJFWSA-N 1 2 278.396 0.999 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001484610871 896497557 /nfs/dbraw/zinc/49/75/57/896497557.db2.gz VOJRFPXVAJVJBL-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001484610871 896497565 /nfs/dbraw/zinc/49/75/65/896497565.db2.gz VOJRFPXVAJVJBL-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)CO2 ZINC001484791581 896608866 /nfs/dbraw/zinc/60/88/66/896608866.db2.gz SJRCTKDSQRNQID-JTQLQIEISA-N 1 2 290.310 0.414 20 30 CCEDLO C=CCN1CCOC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001326667501 914086362 /nfs/dbraw/zinc/08/63/62/914086362.db2.gz MPPYPWKCGFVJCY-LBPRGKRZSA-N 1 2 278.356 0.264 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001485194320 896855229 /nfs/dbraw/zinc/85/52/29/896855229.db2.gz OLYXLIONUBSPHR-VHSXEESVSA-N 1 2 285.779 0.973 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001485366035 896993976 /nfs/dbraw/zinc/99/39/76/896993976.db2.gz QHLDRKRPBNBVPY-MRVPVSSYSA-N 1 2 258.709 0.872 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001485366035 896993987 /nfs/dbraw/zinc/99/39/87/896993987.db2.gz QHLDRKRPBNBVPY-MRVPVSSYSA-N 1 2 258.709 0.872 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001077724223 897341972 /nfs/dbraw/zinc/34/19/72/897341972.db2.gz YBSFANXSBIEKPK-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001077724223 897341981 /nfs/dbraw/zinc/34/19/81/897341981.db2.gz YBSFANXSBIEKPK-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001077727354 897349211 /nfs/dbraw/zinc/34/92/11/897349211.db2.gz WXHBXTJBLFHPTD-CHWSQXEVSA-N 1 2 293.754 0.533 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001077727354 897349225 /nfs/dbraw/zinc/34/92/25/897349225.db2.gz WXHBXTJBLFHPTD-CHWSQXEVSA-N 1 2 293.754 0.533 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1nccnc1C#N ZINC001107869225 897396329 /nfs/dbraw/zinc/39/63/29/897396329.db2.gz RRXVBDSJVXIZFV-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001077765529 897440924 /nfs/dbraw/zinc/44/09/24/897440924.db2.gz SCTUFPLZTJLKSD-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001077765529 897440928 /nfs/dbraw/zinc/44/09/28/897440928.db2.gz SCTUFPLZTJLKSD-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897350 897460056 /nfs/dbraw/zinc/46/00/56/897460056.db2.gz GLCWBICUDNWIDJ-AWEZNQCLSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897350 897460065 /nfs/dbraw/zinc/46/00/65/897460065.db2.gz GLCWBICUDNWIDJ-AWEZNQCLSA-N 1 2 293.371 0.061 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001107908561 897483712 /nfs/dbraw/zinc/48/37/12/897483712.db2.gz PKFLMMRVXWNZED-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001107908561 897483720 /nfs/dbraw/zinc/48/37/20/897483720.db2.gz PKFLMMRVXWNZED-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(cn1)OCCO2 ZINC001032450388 897582791 /nfs/dbraw/zinc/58/27/91/897582791.db2.gz DBUUWRKLDZGUAB-RYUDHWBXSA-N 1 2 299.330 0.385 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(cn1)OCCO2 ZINC001032450388 897582799 /nfs/dbraw/zinc/58/27/99/897582799.db2.gz DBUUWRKLDZGUAB-RYUDHWBXSA-N 1 2 299.330 0.385 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 ZINC001032511409 897675918 /nfs/dbraw/zinc/67/59/18/897675918.db2.gz ZOJDKJCOVOTUHF-QWRGUYRKSA-N 1 2 287.319 0.301 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 ZINC001032511409 897675928 /nfs/dbraw/zinc/67/59/28/897675928.db2.gz ZOJDKJCOVOTUHF-QWRGUYRKSA-N 1 2 287.319 0.301 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511218 897677407 /nfs/dbraw/zinc/67/74/07/897677407.db2.gz JLMMAGFXHHHITL-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cn1 ZINC001032511218 897677412 /nfs/dbraw/zinc/67/74/12/897677412.db2.gz JLMMAGFXHHHITL-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001032528340 897706581 /nfs/dbraw/zinc/70/65/81/897706581.db2.gz OSXWHYNMGKVPMV-OYFCHPHHSA-N 1 2 272.348 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001032528340 897706589 /nfs/dbraw/zinc/70/65/89/897706589.db2.gz OSXWHYNMGKVPMV-OYFCHPHHSA-N 1 2 272.348 0.328 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c(C)c1Cl ZINC001032656914 897901142 /nfs/dbraw/zinc/90/11/42/897901142.db2.gz QBLBTVGTIDZFHX-QWRGUYRKSA-N 1 2 292.770 0.914 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c(C)c1Cl ZINC001032656914 897901152 /nfs/dbraw/zinc/90/11/52/897901152.db2.gz QBLBTVGTIDZFHX-QWRGUYRKSA-N 1 2 292.770 0.914 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c[nH]1 ZINC001032673613 897921001 /nfs/dbraw/zinc/92/10/01/897921001.db2.gz ACFKPRYUUFTCHR-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c[nH]1 ZINC001032673613 897921011 /nfs/dbraw/zinc/92/10/11/897921011.db2.gz ACFKPRYUUFTCHR-RYUDHWBXSA-N 1 2 258.325 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccccc12 ZINC001032687149 897932803 /nfs/dbraw/zinc/93/28/03/897932803.db2.gz VGEJAMYEUAMWKP-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccccc12 ZINC001032687149 897932813 /nfs/dbraw/zinc/93/28/13/897932813.db2.gz VGEJAMYEUAMWKP-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(COC)n1 ZINC001032707664 897943580 /nfs/dbraw/zinc/94/35/80/897943580.db2.gz INMHGMQVMOVEPT-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(COC)n1 ZINC001032707664 897943587 /nfs/dbraw/zinc/94/35/87/897943587.db2.gz INMHGMQVMOVEPT-QWRGUYRKSA-N 1 2 277.324 0.906 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001272858844 898083836 /nfs/dbraw/zinc/08/38/36/898083836.db2.gz GMZKLHGVNYRSGK-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001272858844 898083848 /nfs/dbraw/zinc/08/38/48/898083848.db2.gz GMZKLHGVNYRSGK-LBPRGKRZSA-N 1 2 293.371 0.049 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OCC ZINC001272889130 898123636 /nfs/dbraw/zinc/12/36/36/898123636.db2.gz IRWADUCGDVBYLG-HNNXBMFYSA-N 1 2 278.352 0.640 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OCC ZINC001272889130 898123642 /nfs/dbraw/zinc/12/36/42/898123642.db2.gz IRWADUCGDVBYLG-HNNXBMFYSA-N 1 2 278.352 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001078225263 898312450 /nfs/dbraw/zinc/31/24/50/898312450.db2.gz AIMQPQUOSXKUQN-RBSFLKMASA-N 1 2 289.379 0.460 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001078225263 898312457 /nfs/dbraw/zinc/31/24/57/898312457.db2.gz AIMQPQUOSXKUQN-RBSFLKMASA-N 1 2 289.379 0.460 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1csnn1 ZINC001486273247 898755512 /nfs/dbraw/zinc/75/55/12/898755512.db2.gz XTRCJIZUTCYQQJ-LBPRGKRZSA-N 1 2 296.396 0.251 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC(N)=O)C(C)C ZINC001486364743 898830703 /nfs/dbraw/zinc/83/07/03/898830703.db2.gz WRUWBLWPIGRBNZ-UHFFFAOYSA-N 1 2 275.780 0.783 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC(N)=O)C(C)C ZINC001486364743 898830718 /nfs/dbraw/zinc/83/07/18/898830718.db2.gz WRUWBLWPIGRBNZ-UHFFFAOYSA-N 1 2 275.780 0.783 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001397589689 914292248 /nfs/dbraw/zinc/29/22/48/914292248.db2.gz UQGAYIOBIAFPRN-NWDGAFQWSA-N 1 2 291.355 0.444 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)OCC)C2)CC1 ZINC001327081395 914360369 /nfs/dbraw/zinc/36/03/69/914360369.db2.gz IAIUDOAGINWYQQ-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001092317145 899907537 /nfs/dbraw/zinc/90/75/37/899907537.db2.gz DCNSMDSUGBIPCL-OCCSQVGLSA-N 1 2 273.340 0.187 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C#CC1CC1 ZINC001492865196 914417034 /nfs/dbraw/zinc/41/70/34/914417034.db2.gz JMVHGURKLYEJRV-UHFFFAOYSA-N 1 2 288.351 0.330 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001488675712 900337879 /nfs/dbraw/zinc/33/78/79/900337879.db2.gz HGWQPYZNVSOITN-ZBFHGGJFSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001488675712 900337889 /nfs/dbraw/zinc/33/78/89/900337889.db2.gz HGWQPYZNVSOITN-ZBFHGGJFSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001490425753 900626667 /nfs/dbraw/zinc/62/66/67/900626667.db2.gz KVOARLMIZPDZSH-NSHDSACASA-N 1 2 285.363 0.617 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001490425753 900626672 /nfs/dbraw/zinc/62/66/72/900626672.db2.gz KVOARLMIZPDZSH-NSHDSACASA-N 1 2 285.363 0.617 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)Cc2ccoc2)CC1 ZINC001490487383 900637607 /nfs/dbraw/zinc/63/76/07/900637607.db2.gz CNQWXFXFSZXLCK-UHFFFAOYSA-N 1 2 289.379 0.579 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001490531062 900647126 /nfs/dbraw/zinc/64/71/26/900647126.db2.gz LFWSUDFHDKKONW-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001490531062 900647138 /nfs/dbraw/zinc/64/71/38/900647138.db2.gz LFWSUDFHDKKONW-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001319993801 900913443 /nfs/dbraw/zinc/91/34/43/900913443.db2.gz CYNCKSHDXQLVDF-UHFFFAOYSA-N 1 2 267.373 0.172 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001319993801 900913451 /nfs/dbraw/zinc/91/34/51/900913451.db2.gz CYNCKSHDXQLVDF-UHFFFAOYSA-N 1 2 267.373 0.172 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001327351022 914493624 /nfs/dbraw/zinc/49/36/24/914493624.db2.gz XERMMMXOYFSEEL-NEPJUHHUSA-N 1 2 263.341 0.682 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001323286959 901045164 /nfs/dbraw/zinc/04/51/64/901045164.db2.gz JQRYTBHTTYMWQW-OLZOCXBDSA-N 1 2 279.384 0.505 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001323286959 901045170 /nfs/dbraw/zinc/04/51/70/901045170.db2.gz JQRYTBHTTYMWQW-OLZOCXBDSA-N 1 2 279.384 0.505 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001327387619 914516739 /nfs/dbraw/zinc/51/67/39/914516739.db2.gz PCZOGVDNTQGKPC-KGLIPLIRSA-N 1 2 294.395 0.520 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001327297495 902084807 /nfs/dbraw/zinc/08/48/07/902084807.db2.gz MUEOUEAEDZYQFQ-LLVKDONJSA-N 1 2 264.329 0.470 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)N(C)CC#N ZINC001329575721 903810895 /nfs/dbraw/zinc/81/08/95/903810895.db2.gz VZOGUSHOGLRYTD-MNOVXSKESA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)N(C)CC#N ZINC001329575721 903810886 /nfs/dbraw/zinc/81/08/86/903810886.db2.gz VZOGUSHOGLRYTD-MNOVXSKESA-N 1 2 263.345 0.548 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001331494999 903990753 /nfs/dbraw/zinc/99/07/53/903990753.db2.gz KHHQUCOMFFSHPL-VHSXEESVSA-N 1 2 250.302 0.308 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001280961539 904017007 /nfs/dbraw/zinc/01/70/07/904017007.db2.gz GULCWOWBZFCBCM-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001281042741 904205855 /nfs/dbraw/zinc/20/58/55/904205855.db2.gz QKZFGGNMSCGMIM-LBPRGKRZSA-N 1 2 290.367 0.575 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001398733968 914818194 /nfs/dbraw/zinc/81/81/94/914818194.db2.gz JKHUPTSEIWRRBY-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001398733968 914818214 /nfs/dbraw/zinc/81/82/14/914818214.db2.gz JKHUPTSEIWRRBY-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283266441 904785159 /nfs/dbraw/zinc/78/51/59/904785159.db2.gz ZIFFYSBSEIXVJP-QWRGUYRKSA-N 1 2 291.355 0.370 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001283266441 904785168 /nfs/dbraw/zinc/78/51/68/904785168.db2.gz ZIFFYSBSEIXVJP-QWRGUYRKSA-N 1 2 291.355 0.370 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283266439 904785326 /nfs/dbraw/zinc/78/53/26/904785326.db2.gz ZIFFYSBSEIXVJP-GHMZBOCLSA-N 1 2 291.355 0.370 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001283266439 904785338 /nfs/dbraw/zinc/78/53/38/904785338.db2.gz ZIFFYSBSEIXVJP-GHMZBOCLSA-N 1 2 291.355 0.370 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001284230718 905211662 /nfs/dbraw/zinc/21/16/62/905211662.db2.gz JUXDSRBSAKQICQ-GFCCVEGCSA-N 1 2 290.367 0.623 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001284290214 905236703 /nfs/dbraw/zinc/23/67/03/905236703.db2.gz YSNPIMUGYUTGJJ-GFCCVEGCSA-N 1 2 288.351 0.308 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(=O)NCC#N)C(=O)C(F)F ZINC001284520026 905357068 /nfs/dbraw/zinc/35/70/68/905357068.db2.gz MJNFNZCLOASURM-UHFFFAOYSA-N 1 2 290.314 0.060 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C(F)F ZINC001284520026 905357082 /nfs/dbraw/zinc/35/70/82/905357082.db2.gz MJNFNZCLOASURM-UHFFFAOYSA-N 1 2 290.314 0.060 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001336982922 921140558 /nfs/dbraw/zinc/14/05/58/921140558.db2.gz RYEKIWSUUUSJCR-ZDEQEGDKSA-N 1 2 296.367 0.507 20 30 CCEDLO C=CCCCC(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001284925195 905490982 /nfs/dbraw/zinc/49/09/82/905490982.db2.gz LNVRCVLQGYMXQP-UHFFFAOYSA-N 1 2 290.367 0.646 20 30 CCEDLO C=CCCC(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001285360035 905606546 /nfs/dbraw/zinc/60/65/46/905606546.db2.gz IYPLYFAWSSFFPZ-UHFFFAOYSA-N 1 2 278.356 0.835 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cccnn2)C1 ZINC001334042465 906153026 /nfs/dbraw/zinc/15/30/26/906153026.db2.gz DUWFELDYTSFTLY-NSHDSACASA-N 1 2 262.313 0.692 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccnn2)C1 ZINC001334042465 906153029 /nfs/dbraw/zinc/15/30/29/906153029.db2.gz DUWFELDYTSFTLY-NSHDSACASA-N 1 2 262.313 0.692 20 30 CCEDLO Cn1cnnc1C[NH2+]C1(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001380072588 906621357 /nfs/dbraw/zinc/62/13/57/906621357.db2.gz VBNHVTDDUZEBOC-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001295222535 906698489 /nfs/dbraw/zinc/69/84/89/906698489.db2.gz WIXXVDLTDWQJJP-PHIMTYICSA-N 1 2 290.367 0.928 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001295548261 906756180 /nfs/dbraw/zinc/75/61/80/906756180.db2.gz IZKAYIHUEAZQRU-RYUDHWBXSA-N 1 2 294.355 0.095 20 30 CCEDLO CCN(CCNC(=O)C#CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001296297975 906896975 /nfs/dbraw/zinc/89/69/75/906896975.db2.gz WVJKPYAAIMGMAO-UHFFFAOYSA-N 1 2 288.351 0.330 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001299106657 907388062 /nfs/dbraw/zinc/38/80/62/907388062.db2.gz LZIQZPWHYQLYDH-LBPRGKRZSA-N 1 2 276.340 0.636 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C=C1CCCCC1 ZINC001492208836 907760318 /nfs/dbraw/zinc/76/03/18/907760318.db2.gz BMJSPBAVKSVJEV-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C=C1CCCCC1 ZINC001492208836 907760327 /nfs/dbraw/zinc/76/03/27/907760327.db2.gz BMJSPBAVKSVJEV-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)CC ZINC001492260862 907815661 /nfs/dbraw/zinc/81/56/61/907815661.db2.gz CRWBLXVBEZQJSY-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)CC ZINC001492260862 907815675 /nfs/dbraw/zinc/81/56/75/907815675.db2.gz CRWBLXVBEZQJSY-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(=C)C ZINC001492370723 907879621 /nfs/dbraw/zinc/87/96/21/907879621.db2.gz WPWVJFLBGBPRET-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(=C)C ZINC001492370723 907879645 /nfs/dbraw/zinc/87/96/45/907879645.db2.gz WPWVJFLBGBPRET-UHFFFAOYSA-N 1 2 279.384 0.386 20 30 CCEDLO C[C@@H](Nc1cccnc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC001338084275 921364427 /nfs/dbraw/zinc/36/44/27/921364427.db2.gz MFIMEQYYPBHJAN-RISCZKNCSA-N 1 2 259.357 0.999 20 30 CCEDLO C[C@@H](Nc1cccnc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC001338084275 921364441 /nfs/dbraw/zinc/36/44/41/921364441.db2.gz MFIMEQYYPBHJAN-RISCZKNCSA-N 1 2 259.357 0.999 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001338117251 908201307 /nfs/dbraw/zinc/20/13/07/908201307.db2.gz DWKJCRNQXTZDDM-NWDGAFQWSA-N 1 2 271.361 0.207 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cscn1 ZINC001317441839 908227449 /nfs/dbraw/zinc/22/74/49/908227449.db2.gz FQBZVOFFRNRVSW-UHFFFAOYSA-N 1 2 282.369 0.107 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cscn1 ZINC001317441839 908227457 /nfs/dbraw/zinc/22/74/57/908227457.db2.gz FQBZVOFFRNRVSW-UHFFFAOYSA-N 1 2 282.369 0.107 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001328587376 908693843 /nfs/dbraw/zinc/69/38/43/908693843.db2.gz YLBRKUAJVJGTFV-NEPJUHHUSA-N 1 2 263.341 0.748 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001316978520 908710605 /nfs/dbraw/zinc/71/06/05/908710605.db2.gz YWJNWZUJHCPVMO-STQMWFEESA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001316978520 908710619 /nfs/dbraw/zinc/71/06/19/908710619.db2.gz YWJNWZUJHCPVMO-STQMWFEESA-N 1 2 291.351 0.712 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001316820777 908788598 /nfs/dbraw/zinc/78/85/98/908788598.db2.gz GOGHVXCIUXZYFG-CQSZACIVSA-N 1 2 295.387 0.080 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001316820777 908788608 /nfs/dbraw/zinc/78/86/08/908788608.db2.gz GOGHVXCIUXZYFG-CQSZACIVSA-N 1 2 295.387 0.080 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001316824687 908793641 /nfs/dbraw/zinc/79/36/41/908793641.db2.gz LDOACRTVXWPWCQ-NSHDSACASA-N 1 2 293.371 0.090 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001316824687 908793651 /nfs/dbraw/zinc/79/36/51/908793651.db2.gz LDOACRTVXWPWCQ-NSHDSACASA-N 1 2 293.371 0.090 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH+]cn1C ZINC001387090704 909030928 /nfs/dbraw/zinc/03/09/28/909030928.db2.gz ZPSDLLPZPLYLED-WDEREUQCSA-N 1 2 291.355 0.133 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001387090703 909032466 /nfs/dbraw/zinc/03/24/66/909032466.db2.gz ZPSDLLPZPLYLED-QWRGUYRKSA-N 1 2 291.355 0.133 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001317457897 909232344 /nfs/dbraw/zinc/23/23/44/909232344.db2.gz GHQPEGAJJADRFQ-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001317457897 909232359 /nfs/dbraw/zinc/23/23/59/909232359.db2.gz GHQPEGAJJADRFQ-ZIAGYGMSSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2cnccn2)C1 ZINC001318074539 909611247 /nfs/dbraw/zinc/61/12/47/909611247.db2.gz NYPYBXYKVPGWJW-UHFFFAOYSA-N 1 2 260.341 0.786 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCNC(=O)CC(C)C)C1 ZINC001318098161 909618254 /nfs/dbraw/zinc/61/82/54/909618254.db2.gz MBXMYAOKGYIQRL-UHFFFAOYSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001318146189 909639830 /nfs/dbraw/zinc/63/98/30/909639830.db2.gz PIRPNVKTPHQAIY-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC ZINC001318185096 909659945 /nfs/dbraw/zinc/65/99/45/909659945.db2.gz SIYZBJSHRYUZJW-AGIUHOORSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC ZINC001318185096 909659951 /nfs/dbraw/zinc/65/99/51/909659951.db2.gz SIYZBJSHRYUZJW-AGIUHOORSA-N 1 2 277.368 0.210 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[C@H](O)C[N@@H+]3C)n2C)C1 ZINC001338583375 921515658 /nfs/dbraw/zinc/51/56/58/921515658.db2.gz PHLLNTIPEQTYOZ-AGIUHOORSA-N 1 2 289.383 0.402 20 30 CCEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[C@H](O)C[N@H+]3C)n2C)C1 ZINC001338583375 921515672 /nfs/dbraw/zinc/51/56/72/921515672.db2.gz PHLLNTIPEQTYOZ-AGIUHOORSA-N 1 2 289.383 0.402 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001319296619 910083762 /nfs/dbraw/zinc/08/37/62/910083762.db2.gz XKWIEQWCLNAWLZ-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001319296619 910083780 /nfs/dbraw/zinc/08/37/80/910083780.db2.gz XKWIEQWCLNAWLZ-KGLIPLIRSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCCF ZINC001338894744 921597373 /nfs/dbraw/zinc/59/73/73/921597373.db2.gz LIIMHKFWSWVRII-RYUDHWBXSA-N 1 2 297.378 0.997 20 30 CCEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCCF ZINC001338894744 921597376 /nfs/dbraw/zinc/59/73/76/921597376.db2.gz LIIMHKFWSWVRII-RYUDHWBXSA-N 1 2 297.378 0.997 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001390803114 910691122 /nfs/dbraw/zinc/69/11/22/910691122.db2.gz VMRFDHRARHUXTP-ZDUSSCGKSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001390803114 910691126 /nfs/dbraw/zinc/69/11/26/910691126.db2.gz VMRFDHRARHUXTP-ZDUSSCGKSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391026785 910822499 /nfs/dbraw/zinc/82/24/99/910822499.db2.gz GODABNJAAKDJRL-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391026785 910822503 /nfs/dbraw/zinc/82/25/03/910822503.db2.gz GODABNJAAKDJRL-SNVBAGLBSA-N 1 2 284.751 0.006 20 30 CCEDLO C[C@H](CNCC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321562458 911372652 /nfs/dbraw/zinc/37/26/52/911372652.db2.gz DHQTYBRYMMDHGI-SECBINFHSA-N 1 2 257.297 0.794 20 30 CCEDLO C=C(C)C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)[O-] ZINC001339137960 921661962 /nfs/dbraw/zinc/66/19/62/921661962.db2.gz ZRCSFPZQVVORPX-LLVKDONJSA-N 1 2 266.345 0.995 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NC1CCCC1 ZINC001392266487 911678860 /nfs/dbraw/zinc/67/88/60/911678860.db2.gz TYLBQTXCOUZCSL-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CCCC1 ZINC001392266487 911678862 /nfs/dbraw/zinc/67/88/62/911678862.db2.gz TYLBQTXCOUZCSL-LBPRGKRZSA-N 1 2 294.399 0.595 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001322386424 911784049 /nfs/dbraw/zinc/78/40/49/911784049.db2.gz HUPTXJCJRLSOLZ-UHFFFAOYSA-N 1 2 299.374 0.648 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001399903565 915429829 /nfs/dbraw/zinc/42/98/29/915429829.db2.gz QJRXAQIWFBVRBH-GXSJLCMTSA-N 1 2 277.328 0.476 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001399903565 915429839 /nfs/dbraw/zinc/42/98/39/915429839.db2.gz QJRXAQIWFBVRBH-GXSJLCMTSA-N 1 2 277.328 0.476 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001400298665 915669976 /nfs/dbraw/zinc/66/99/76/915669976.db2.gz FYGHRIICOHAEFF-STQMWFEESA-N 1 2 292.383 0.349 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001400298665 915669982 /nfs/dbraw/zinc/66/99/82/915669982.db2.gz FYGHRIICOHAEFF-STQMWFEESA-N 1 2 292.383 0.349 20 30 CCEDLO COCC(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001400475152 915768284 /nfs/dbraw/zinc/76/82/84/915768284.db2.gz VFPJDQOGPUCNGS-UHFFFAOYSA-N 1 2 291.326 0.892 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001417072407 916010559 /nfs/dbraw/zinc/01/05/59/916010559.db2.gz ARRPMKPCTYPCEU-KOLCDFICSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001329636897 916086739 /nfs/dbraw/zinc/08/67/39/916086739.db2.gz BASBOZYCOWDZGF-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccco2)C1 ZINC001329951845 916303261 /nfs/dbraw/zinc/30/32/61/916303261.db2.gz HSNKJCIGHSMRCS-LLVKDONJSA-N 1 2 291.351 0.632 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001401843867 916629691 /nfs/dbraw/zinc/62/96/91/916629691.db2.gz SESBPTMWYRZGCN-MWLCHTKSSA-N 1 2 291.355 0.776 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001330782707 916860517 /nfs/dbraw/zinc/86/05/17/916860517.db2.gz BPWUSTBZUJFNGY-GFCCVEGCSA-N 1 2 296.396 0.216 20 30 CCEDLO C=CC[C@H](OC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)OC ZINC001331093799 917079815 /nfs/dbraw/zinc/07/98/15/917079815.db2.gz KLSXDIAQZBLJHE-WDEREUQCSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H](OC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)OC ZINC001331093799 917079822 /nfs/dbraw/zinc/07/98/22/917079822.db2.gz KLSXDIAQZBLJHE-WDEREUQCSA-N 1 2 271.313 0.368 20 30 CCEDLO COCC#CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001331169016 917150327 /nfs/dbraw/zinc/15/03/27/917150327.db2.gz CJWMCPRYSQVNMX-BETUJISGSA-N 1 2 268.357 0.204 20 30 CCEDLO COCC#CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001331169016 917150337 /nfs/dbraw/zinc/15/03/37/917150337.db2.gz CJWMCPRYSQVNMX-BETUJISGSA-N 1 2 268.357 0.204 20 30 CCEDLO Cn1cnnc1C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001331253466 917219349 /nfs/dbraw/zinc/21/93/49/917219349.db2.gz LENORXIALCDCPI-NSHDSACASA-N 1 2 263.345 0.692 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001331253466 917219363 /nfs/dbraw/zinc/21/93/63/917219363.db2.gz LENORXIALCDCPI-NSHDSACASA-N 1 2 263.345 0.692 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001403099123 917478721 /nfs/dbraw/zinc/47/87/21/917478721.db2.gz PIEVDZRRQDVEPI-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001403099123 917478729 /nfs/dbraw/zinc/47/87/29/917478729.db2.gz PIEVDZRRQDVEPI-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)nn1 ZINC001332240188 917983877 /nfs/dbraw/zinc/98/38/77/917983877.db2.gz CZHRTJDOEGSYJQ-LLVKDONJSA-N 1 2 290.327 0.051 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1sccc1C#N ZINC001332419595 918141468 /nfs/dbraw/zinc/14/14/68/918141468.db2.gz GJWDVOGVAAVDAR-UHFFFAOYSA-N 1 2 289.320 0.608 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001404853753 918492047 /nfs/dbraw/zinc/49/20/47/918492047.db2.gz NJILOFWHPDIRJP-UHFFFAOYSA-N 1 2 285.775 0.409 20 30 CCEDLO C=C[C@@H](COC)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC001332961184 918566144 /nfs/dbraw/zinc/56/61/44/918566144.db2.gz GYMIWWQMMVRITK-WCQYABFASA-N 1 2 266.345 0.748 20 30 CCEDLO C=CCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001333868506 919220418 /nfs/dbraw/zinc/22/04/18/919220418.db2.gz VEGVTWZLFOPUCI-GHMZBOCLSA-N 1 2 294.355 0.164 20 30 CCEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](O)CC#N ZINC001335616575 920322636 /nfs/dbraw/zinc/32/26/36/920322636.db2.gz KMJVWVFVKRYOHN-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1C[C@H](O)CC#N ZINC001335616575 920322655 /nfs/dbraw/zinc/32/26/55/920322655.db2.gz KMJVWVFVKRYOHN-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO COC1(OC)CCOC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC001336200394 920652954 /nfs/dbraw/zinc/65/29/54/920652954.db2.gz PPEUFGUMAWLJGP-NWDGAFQWSA-N 1 2 267.329 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1cncn1 ZINC001418573930 922272716 /nfs/dbraw/zinc/27/27/16/922272716.db2.gz KBODUPUHBLXBBN-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1cncn1 ZINC001418573930 922272729 /nfs/dbraw/zinc/27/27/29/922272729.db2.gz KBODUPUHBLXBBN-UHFFFAOYSA-N 1 2 271.752 0.469 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1cncn1C)C1CC1 ZINC001418753822 922406722 /nfs/dbraw/zinc/40/67/22/922406722.db2.gz PJZUPHUPEFCDKA-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1cncn1C)C1CC1 ZINC001418753822 922406730 /nfs/dbraw/zinc/40/67/30/922406730.db2.gz PJZUPHUPEFCDKA-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001418956693 922509733 /nfs/dbraw/zinc/50/97/33/922509733.db2.gz WLXDSNHZDFAULW-JTQLQIEISA-N 1 2 289.763 0.676 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001418956693 922509735 /nfs/dbraw/zinc/50/97/35/922509735.db2.gz WLXDSNHZDFAULW-JTQLQIEISA-N 1 2 289.763 0.676 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001342868720 923117774 /nfs/dbraw/zinc/11/77/74/923117774.db2.gz BWCJIBHUSUAAEU-STQMWFEESA-N 1 2 291.399 0.713 20 30 CCEDLO C#C[C@H](C)N(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001342868720 923117779 /nfs/dbraw/zinc/11/77/79/923117779.db2.gz BWCJIBHUSUAAEU-STQMWFEESA-N 1 2 291.399 0.713 20 30 CCEDLO C=CCCCN(CC)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001343125036 923210375 /nfs/dbraw/zinc/21/03/75/923210375.db2.gz RJIISJNMFWFNMW-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001420024179 923245498 /nfs/dbraw/zinc/24/54/98/923245498.db2.gz LICPHGWOMXHYLK-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001420024179 923245511 /nfs/dbraw/zinc/24/55/11/923245511.db2.gz LICPHGWOMXHYLK-NSHDSACASA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2n1CCOC2 ZINC001420254879 923460357 /nfs/dbraw/zinc/46/03/57/923460357.db2.gz YXZJQEPNIVTINX-UHFFFAOYSA-N 1 2 298.774 0.827 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2n1CCOC2 ZINC001420254879 923460363 /nfs/dbraw/zinc/46/03/63/923460363.db2.gz YXZJQEPNIVTINX-UHFFFAOYSA-N 1 2 298.774 0.827 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001420679175 923870357 /nfs/dbraw/zinc/87/03/57/923870357.db2.gz DHMFLMUYKPTVKP-JTQLQIEISA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001420679175 923870363 /nfs/dbraw/zinc/87/03/63/923870363.db2.gz DHMFLMUYKPTVKP-JTQLQIEISA-N 1 2 286.763 0.001 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001420715790 923894475 /nfs/dbraw/zinc/89/44/75/923894475.db2.gz GZHRFTVTCWIEND-LDYMZIIASA-N 1 2 277.328 0.522 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001346767796 924306662 /nfs/dbraw/zinc/30/66/62/924306662.db2.gz UJZOMDCSSKRYQA-KFWWJZLASA-N 1 2 292.427 0.676 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001346767796 924306671 /nfs/dbraw/zinc/30/66/71/924306671.db2.gz UJZOMDCSSKRYQA-KFWWJZLASA-N 1 2 292.427 0.676 20 30 CCEDLO CON=CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001347210965 924400392 /nfs/dbraw/zinc/40/03/92/924400392.db2.gz ITFMKKQEXAJKGI-NSHDSACASA-N 1 2 264.329 0.833 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001479909819 924697545 /nfs/dbraw/zinc/69/75/45/924697545.db2.gz RPDPJBMSEIQRIP-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001479909819 924697548 /nfs/dbraw/zinc/69/75/48/924697548.db2.gz RPDPJBMSEIQRIP-ZDUSSCGKSA-N 1 2 291.395 0.507 20 30 CCEDLO C=CC[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OCC ZINC001349625562 925006487 /nfs/dbraw/zinc/00/64/87/925006487.db2.gz OKDYRCBMGFOURW-WDEREUQCSA-N 1 2 254.330 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1(COC)CCC1 ZINC001349829031 925072966 /nfs/dbraw/zinc/07/29/66/925072966.db2.gz CJOOVKCGLUGGFV-NSHDSACASA-N 1 2 284.356 0.461 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)N1CC#N ZINC001350330484 925173149 /nfs/dbraw/zinc/17/31/49/925173149.db2.gz WKDYNNIIJMGUML-BETUJISGSA-N 1 2 290.415 0.904 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)C3CC3)n2C)CC1 ZINC001355781684 926311846 /nfs/dbraw/zinc/31/18/46/926311846.db2.gz NVYAIPPJBOTULD-LBPRGKRZSA-N 1 2 275.356 0.014 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001356254775 926361848 /nfs/dbraw/zinc/36/18/48/926361848.db2.gz WNJKQJLSIQIFEX-VXGBXAGGSA-N 1 2 281.356 0.331 20 30 CCEDLO COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001356254775 926361858 /nfs/dbraw/zinc/36/18/58/926361858.db2.gz WNJKQJLSIQIFEX-VXGBXAGGSA-N 1 2 281.356 0.331 20 30 CCEDLO C#C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001356425868 926380291 /nfs/dbraw/zinc/38/02/91/926380291.db2.gz XOUJYTYISSXXBI-ZDUSSCGKSA-N 1 2 277.368 0.165 20 30 CCEDLO CC#CCCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001356773179 926436599 /nfs/dbraw/zinc/43/65/99/926436599.db2.gz LGUSOKNPHBOJDZ-UHFFFAOYSA-N 1 2 288.351 0.404 20 30 CCEDLO C[C@H](C[NH2+]Cc1nc(C2CC2)no1)NC(=O)[C@@H](C)C#N ZINC001422471735 927295106 /nfs/dbraw/zinc/29/51/06/927295106.db2.gz SKANGOOFQLXOLD-DTWKUNHWSA-N 1 2 277.328 0.701 20 30 CCEDLO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)[C@@H](C)C#N)C1)OC ZINC001422606281 927402262 /nfs/dbraw/zinc/40/22/62/927402262.db2.gz QMZXQWHAVQADRC-RYUDHWBXSA-N 1 2 283.372 0.124 20 30 CCEDLO CCn1nncc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001422780976 927507230 /nfs/dbraw/zinc/50/72/30/927507230.db2.gz KHLJHHHTBJRLBN-QWRGUYRKSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001422780976 927507239 /nfs/dbraw/zinc/50/72/39/927507239.db2.gz KHLJHHHTBJRLBN-QWRGUYRKSA-N 1 2 278.360 0.394 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001422989244 927616962 /nfs/dbraw/zinc/61/69/62/927616962.db2.gz QEAHRXFMWCIXDU-KCJUWKMLSA-N 1 2 277.328 0.522 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285556 928493332 /nfs/dbraw/zinc/49/33/32/928493332.db2.gz SXBPBLJVNVPIAY-YPMHNXCESA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC001425285556 928493339 /nfs/dbraw/zinc/49/33/39/928493339.db2.gz SXBPBLJVNVPIAY-YPMHNXCESA-N 1 2 289.383 0.906 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001425322209 928512202 /nfs/dbraw/zinc/51/22/02/928512202.db2.gz KWKSVJDJCAULDH-PDEGPIFNSA-N 1 2 275.312 0.023 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001425322209 928512212 /nfs/dbraw/zinc/51/22/12/928512212.db2.gz KWKSVJDJCAULDH-PDEGPIFNSA-N 1 2 275.312 0.023 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001362895576 928612058 /nfs/dbraw/zinc/61/20/58/928612058.db2.gz RLWQAUVGWPKOJW-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001362895576 928612065 /nfs/dbraw/zinc/61/20/65/928612065.db2.gz RLWQAUVGWPKOJW-LBPRGKRZSA-N 1 2 280.372 0.159 20 30 CCEDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)ncc1C#N ZINC001363137554 928908860 /nfs/dbraw/zinc/90/88/60/928908860.db2.gz CDFMGQASQGRMOZ-LBPRGKRZSA-N 1 2 285.307 0.459 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CCCC1 ZINC001363548297 929349852 /nfs/dbraw/zinc/34/98/52/929349852.db2.gz VFWHTZSPALZXAF-NSHDSACASA-N 1 2 289.339 0.267 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CCCC1 ZINC001363548297 929349866 /nfs/dbraw/zinc/34/98/66/929349866.db2.gz VFWHTZSPALZXAF-NSHDSACASA-N 1 2 289.339 0.267 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001429770357 929513152 /nfs/dbraw/zinc/51/31/52/929513152.db2.gz XAVPHGIFEFDBGV-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001445005435 930001686 /nfs/dbraw/zinc/00/16/86/930001686.db2.gz YTSGUFNFELOAAA-UHFFFAOYSA-N 1 2 284.747 0.939 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001445005435 930001692 /nfs/dbraw/zinc/00/16/92/930001692.db2.gz YTSGUFNFELOAAA-UHFFFAOYSA-N 1 2 284.747 0.939 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001373025977 930049845 /nfs/dbraw/zinc/04/98/45/930049845.db2.gz TZUGRGWPYLPKOW-MNOVXSKESA-N 1 2 291.355 0.133 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001445869559 930275716 /nfs/dbraw/zinc/27/57/16/930275716.db2.gz ZLSNLPUPHGJHQM-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001445869559 930275722 /nfs/dbraw/zinc/27/57/22/930275722.db2.gz ZLSNLPUPHGJHQM-VIFPVBQESA-N 1 2 276.768 0.234 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001373670157 930290397 /nfs/dbraw/zinc/29/03/97/930290397.db2.gz PYIYXQOFRMNOLI-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001373670157 930290403 /nfs/dbraw/zinc/29/04/03/930290403.db2.gz PYIYXQOFRMNOLI-WCQYABFASA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001446152670 930351142 /nfs/dbraw/zinc/35/11/42/930351142.db2.gz FJFXICMDSSJMJE-FOGDFJRCSA-N 1 2 289.339 0.217 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001375034373 930770709 /nfs/dbraw/zinc/77/07/09/930770709.db2.gz XXPVQQJCFXXXAT-SECBINFHSA-N 1 2 285.779 0.805 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001375034373 930770718 /nfs/dbraw/zinc/77/07/18/930770718.db2.gz XXPVQQJCFXXXAT-SECBINFHSA-N 1 2 285.779 0.805 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448068687 930805776 /nfs/dbraw/zinc/80/57/76/930805776.db2.gz RNSVOKJCJIWNNB-NXEZZACHSA-N 1 2 288.779 0.199 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448068687 930805783 /nfs/dbraw/zinc/80/57/83/930805783.db2.gz RNSVOKJCJIWNNB-NXEZZACHSA-N 1 2 288.779 0.199 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC001451125068 931386186 /nfs/dbraw/zinc/38/61/86/931386186.db2.gz RENPCSMSORZHBG-ONGXEEELSA-N 1 2 291.355 0.431 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000599559506 361737766 /nfs/dbraw/zinc/73/77/66/361737766.db2.gz WXLWDYREACDSGM-AWEZNQCLSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599559506 361737770 /nfs/dbraw/zinc/73/77/70/361737770.db2.gz WXLWDYREACDSGM-AWEZNQCLSA-N 1 2 275.308 0.717 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641720 361769518 /nfs/dbraw/zinc/76/95/18/361769518.db2.gz KKPGCVZBJQFCOD-LBPRGKRZSA-N 1 2 271.336 0.809 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641720 361769521 /nfs/dbraw/zinc/76/95/21/361769521.db2.gz KKPGCVZBJQFCOD-LBPRGKRZSA-N 1 2 271.336 0.809 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093531006 349544947 /nfs/dbraw/zinc/54/49/47/349544947.db2.gz TUGHIICKVKOIFW-VIFPVBQESA-N 1 2 269.326 0.275 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093531006 349544950 /nfs/dbraw/zinc/54/49/50/349544950.db2.gz TUGHIICKVKOIFW-VIFPVBQESA-N 1 2 269.326 0.275 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273093967 192041688 /nfs/dbraw/zinc/04/16/88/192041688.db2.gz KHBAVMZVZBMGRY-NSHDSACASA-N 1 2 270.279 0.890 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000600417796 361954983 /nfs/dbraw/zinc/95/49/83/361954983.db2.gz BJKNCVWVBXEINF-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000600417796 361954989 /nfs/dbraw/zinc/95/49/89/361954989.db2.gz BJKNCVWVBXEINF-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000600422202 361956849 /nfs/dbraw/zinc/95/68/49/361956849.db2.gz SXKFKARDZYMUBF-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000600422202 361956854 /nfs/dbraw/zinc/95/68/54/361956854.db2.gz SXKFKARDZYMUBF-CQSZACIVSA-N 1 2 273.336 0.813 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC000110918027 349765106 /nfs/dbraw/zinc/76/51/06/349765106.db2.gz GYBAIAHHBRBGIG-UHFFFAOYSA-N 1 2 271.386 0.424 20 30 CCEDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)n1 ZINC000600747814 362054023 /nfs/dbraw/zinc/05/40/23/362054023.db2.gz LDLMAKBJRYEPED-JTQLQIEISA-N 1 2 278.360 0.572 20 30 CCEDLO Cc1ccnc(N[C@@H](CO)C[NH+]2CCOCC2)c1C#N ZINC000601176014 362167012 /nfs/dbraw/zinc/16/70/12/362167012.db2.gz CXOXKJZAZUQCIG-GFCCVEGCSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1nc(N2CCN(c3cnc(C#N)cn3)CC2)cc[nH+]1 ZINC000129903874 136388347 /nfs/dbraw/zinc/38/83/47/136388347.db2.gz WYEAJEVAULCXFZ-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(F)cn3)C[C@H]21 ZINC000330135519 529786072 /nfs/dbraw/zinc/78/60/72/529786072.db2.gz HFGBNZNWAUMECD-GHMZBOCLSA-N 1 2 280.303 0.781 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(F)cn3)C[C@H]21 ZINC000330135519 529786073 /nfs/dbraw/zinc/78/60/73/529786073.db2.gz HFGBNZNWAUMECD-GHMZBOCLSA-N 1 2 280.303 0.781 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333708229 529789332 /nfs/dbraw/zinc/78/93/32/529789332.db2.gz IAOZKYSQBYOQCL-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333708229 529789333 /nfs/dbraw/zinc/78/93/33/529789333.db2.gz IAOZKYSQBYOQCL-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)C1 ZINC000601378784 362250025 /nfs/dbraw/zinc/25/00/25/362250025.db2.gz XZGIATZQUNGGRQ-NSHDSACASA-N 1 2 277.324 0.966 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)C1 ZINC000601378784 362250027 /nfs/dbraw/zinc/25/00/27/362250027.db2.gz XZGIATZQUNGGRQ-NSHDSACASA-N 1 2 277.324 0.966 20 30 CCEDLO Cc1[nH+]cc2n1C[C@@H](C(=O)N=c1[nH][nH]cc1C#N)CC2 ZINC000601638332 362336072 /nfs/dbraw/zinc/33/60/72/362336072.db2.gz HAJAPWBWAKZPJL-VIFPVBQESA-N 1 2 270.296 0.409 20 30 CCEDLO N#Cc1ccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000601948660 362433494 /nfs/dbraw/zinc/43/34/94/362433494.db2.gz XJCOCNUYUUPARV-LBPRGKRZSA-N 1 2 254.293 0.866 20 30 CCEDLO COCCc1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000602456404 362626293 /nfs/dbraw/zinc/62/62/93/362626293.db2.gz XALGEDDLEZKIKZ-UHFFFAOYSA-N 1 2 280.397 0.973 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072691978 260277332 /nfs/dbraw/zinc/27/73/32/260277332.db2.gz XZJXCPIBPASERE-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072691978 260277333 /nfs/dbraw/zinc/27/73/33/260277333.db2.gz XZJXCPIBPASERE-UHFFFAOYSA-N 1 2 254.334 0.704 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000602641134 362727479 /nfs/dbraw/zinc/72/74/79/362727479.db2.gz VANJTRODTRTZBE-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000602641134 362727481 /nfs/dbraw/zinc/72/74/81/362727481.db2.gz VANJTRODTRTZBE-CQSZACIVSA-N 1 2 285.307 0.127 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000602694407 362753082 /nfs/dbraw/zinc/75/30/82/362753082.db2.gz REYJCCQMHSTQSP-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000602694407 362753087 /nfs/dbraw/zinc/75/30/87/362753087.db2.gz REYJCCQMHSTQSP-RISCZKNCSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccnc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000339232758 215029387 /nfs/dbraw/zinc/02/93/87/215029387.db2.gz VHRRCCRLUIHHDU-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602831395 362825171 /nfs/dbraw/zinc/82/51/71/362825171.db2.gz XFQBXFJPDRSFTC-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602831395 362825176 /nfs/dbraw/zinc/82/51/76/362825176.db2.gz XFQBXFJPDRSFTC-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)N1CC#N ZINC000602848795 362836390 /nfs/dbraw/zinc/83/63/90/362836390.db2.gz IJUDLUYLDJVNIL-BETUJISGSA-N 1 2 289.383 0.467 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)N1CC#N ZINC000602848795 362836393 /nfs/dbraw/zinc/83/63/93/362836393.db2.gz IJUDLUYLDJVNIL-BETUJISGSA-N 1 2 289.383 0.467 20 30 CCEDLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852251 362839737 /nfs/dbraw/zinc/83/97/37/362839737.db2.gz AJBUVUTWBKXYQI-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852251 362839739 /nfs/dbraw/zinc/83/97/39/362839739.db2.gz AJBUVUTWBKXYQI-TUAOUCFPSA-N 1 2 253.346 0.856 20 30 CCEDLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857225 362843625 /nfs/dbraw/zinc/84/36/25/362843625.db2.gz PYAFODOYZNRLTO-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857225 362843629 /nfs/dbraw/zinc/84/36/29/362843629.db2.gz PYAFODOYZNRLTO-GRYCIOLGSA-N 1 2 253.346 0.856 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858274 362844205 /nfs/dbraw/zinc/84/42/05/362844205.db2.gz QUPAPHMCVKSFOF-ZIAGYGMSSA-N 1 2 291.399 0.667 20 30 CCEDLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)C(=O)OC ZINC000602861216 362844733 /nfs/dbraw/zinc/84/47/33/362844733.db2.gz FQYFSTISKDICKL-JBLDHEPKSA-N 1 2 269.345 0.582 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)CCOc1ccccc1C#N ZINC000339368617 215127274 /nfs/dbraw/zinc/12/72/74/215127274.db2.gz WYNMGSOUHHFGPF-LBPRGKRZSA-N 1 2 277.324 0.369 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)CCOc1ccccc1C#N ZINC000339368617 215127277 /nfs/dbraw/zinc/12/72/77/215127277.db2.gz WYNMGSOUHHFGPF-LBPRGKRZSA-N 1 2 277.324 0.369 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000007926362 348009407 /nfs/dbraw/zinc/00/94/07/348009407.db2.gz UDWPVNUVEPWGPP-IAQYHMDHSA-N 1 2 294.399 0.640 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000007926362 348009409 /nfs/dbraw/zinc/00/94/09/348009409.db2.gz UDWPVNUVEPWGPP-IAQYHMDHSA-N 1 2 294.399 0.640 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011469930 348017515 /nfs/dbraw/zinc/01/75/15/348017515.db2.gz XMAZMUMPCCZDPL-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011469930 348017519 /nfs/dbraw/zinc/01/75/19/348017519.db2.gz XMAZMUMPCCZDPL-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000019846894 348072080 /nfs/dbraw/zinc/07/20/80/348072080.db2.gz APMNWJIORHOGDW-UHFFFAOYSA-N 1 2 259.309 0.953 20 30 CCEDLO C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257524 348084592 /nfs/dbraw/zinc/08/45/92/348084592.db2.gz PLTQMLWGZKWYAO-GFCCVEGCSA-N 1 2 272.352 0.550 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257524 348084599 /nfs/dbraw/zinc/08/45/99/348084599.db2.gz PLTQMLWGZKWYAO-GFCCVEGCSA-N 1 2 272.352 0.550 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000344690777 137208000 /nfs/dbraw/zinc/20/80/00/137208000.db2.gz GMQUXSVNFNYLFK-VIFPVBQESA-N 1 2 292.320 0.641 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000043533256 348310498 /nfs/dbraw/zinc/31/04/98/348310498.db2.gz SRPHFRABXMLXAA-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCOCCC#N ZINC000602941340 362900024 /nfs/dbraw/zinc/90/00/24/362900024.db2.gz LXRFTMGCUIVGBA-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCOCCC#N ZINC000602941340 362900029 /nfs/dbraw/zinc/90/00/29/362900029.db2.gz LXRFTMGCUIVGBA-DGCLKSJQSA-N 1 2 270.329 0.569 20 30 CCEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000047263118 348373439 /nfs/dbraw/zinc/37/34/39/348373439.db2.gz XYIJRLSZFFSBLV-FZMZJTMJSA-N 1 2 282.388 0.497 20 30 CCEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000047263118 348373442 /nfs/dbraw/zinc/37/34/42/348373442.db2.gz XYIJRLSZFFSBLV-FZMZJTMJSA-N 1 2 282.388 0.497 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602974342 362915573 /nfs/dbraw/zinc/91/55/73/362915573.db2.gz MUEOQLQOQUXFOF-KGLIPLIRSA-N 1 2 292.383 0.301 20 30 CCEDLO CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602974342 362915576 /nfs/dbraw/zinc/91/55/76/362915576.db2.gz MUEOQLQOQUXFOF-KGLIPLIRSA-N 1 2 292.383 0.301 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602974426 362916425 /nfs/dbraw/zinc/91/64/25/362916425.db2.gz OAZYMTUXIGWFAP-MELADBBJSA-N 1 2 267.373 0.304 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975158 362917882 /nfs/dbraw/zinc/91/78/82/362917882.db2.gz YSVSSJXMTQTGKU-WDEREUQCSA-N 1 2 266.345 0.846 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975158 362917887 /nfs/dbraw/zinc/91/78/87/362917887.db2.gz YSVSSJXMTQTGKU-WDEREUQCSA-N 1 2 266.345 0.846 20 30 CCEDLO C[C@@H](C(=O)Nc1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000347911577 137363391 /nfs/dbraw/zinc/36/33/91/137363391.db2.gz LGLCSVKLMWIXLS-VIFPVBQESA-N 1 2 285.311 0.810 20 30 CCEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051102327 348483844 /nfs/dbraw/zinc/48/38/44/348483844.db2.gz AJVZJSDHNKFDFE-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051102327 348483846 /nfs/dbraw/zinc/48/38/46/348483846.db2.gz AJVZJSDHNKFDFE-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000052076739 348503893 /nfs/dbraw/zinc/50/38/93/348503893.db2.gz PYHIXCRRJWHPOB-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000052076739 348503895 /nfs/dbraw/zinc/50/38/95/348503895.db2.gz PYHIXCRRJWHPOB-UHFFFAOYSA-N 1 2 275.308 0.992 20 30 CCEDLO COC(=O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000060846065 348648207 /nfs/dbraw/zinc/64/82/07/348648207.db2.gz WAQFKNVUNIJUPT-LBPRGKRZSA-N 1 2 278.308 0.403 20 30 CCEDLO COC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000060846065 348648208 /nfs/dbraw/zinc/64/82/08/348648208.db2.gz WAQFKNVUNIJUPT-LBPRGKRZSA-N 1 2 278.308 0.403 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578333 348629776 /nfs/dbraw/zinc/62/97/76/348629776.db2.gz JSDLDXYEUMIKLQ-UHFFFAOYSA-N 1 2 279.306 0.859 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578333 348629778 /nfs/dbraw/zinc/62/97/78/348629778.db2.gz JSDLDXYEUMIKLQ-UHFFFAOYSA-N 1 2 279.306 0.859 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000066657018 348752688 /nfs/dbraw/zinc/75/26/88/348752688.db2.gz SUHOCWKYHPLWPU-UHFFFAOYSA-N 1 2 278.278 0.196 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000066657018 348752690 /nfs/dbraw/zinc/75/26/90/348752690.db2.gz SUHOCWKYHPLWPU-UHFFFAOYSA-N 1 2 278.278 0.196 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071010954 348902614 /nfs/dbraw/zinc/90/26/14/348902614.db2.gz IJCJAUYNUILLED-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071010954 348902616 /nfs/dbraw/zinc/90/26/16/348902616.db2.gz IJCJAUYNUILLED-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000078587124 349144182 /nfs/dbraw/zinc/14/41/82/349144182.db2.gz AJYVIZOWBLIRIR-NSHDSACASA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000078587124 349144185 /nfs/dbraw/zinc/14/41/85/349144185.db2.gz AJYVIZOWBLIRIR-NSHDSACASA-N 1 2 255.362 0.477 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000339658656 215287321 /nfs/dbraw/zinc/28/73/21/215287321.db2.gz ASKXVQXIZBUSBM-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)o2)CCO1 ZINC000339658656 215287323 /nfs/dbraw/zinc/28/73/23/215287323.db2.gz ASKXVQXIZBUSBM-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000084203589 349317014 /nfs/dbraw/zinc/31/70/14/349317014.db2.gz PHRFNMQJNBJPJQ-UHFFFAOYSA-N 1 2 259.309 0.711 20 30 CCEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000084203589 349317016 /nfs/dbraw/zinc/31/70/16/349317016.db2.gz PHRFNMQJNBJPJQ-UHFFFAOYSA-N 1 2 259.309 0.711 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000089422850 349386069 /nfs/dbraw/zinc/38/60/69/349386069.db2.gz ZYDSWMJHDMXDIU-UHFFFAOYSA-N 1 2 259.309 0.195 20 30 CCEDLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1C#N ZINC000091753091 180246146 /nfs/dbraw/zinc/24/61/46/180246146.db2.gz ZQLRCZGFDZHSFE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1C#N ZINC000091753091 180246147 /nfs/dbraw/zinc/24/61/47/180246147.db2.gz ZQLRCZGFDZHSFE-CYBMUJFWSA-N 1 2 286.335 0.776 20 30 CCEDLO C=CCC(CC=C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000151763149 350509557 /nfs/dbraw/zinc/50/95/57/350509557.db2.gz PUQXFRJLWPPXQB-HNNXBMFYSA-N 1 2 296.411 0.906 20 30 CCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]cn1C ZINC000155721426 350621870 /nfs/dbraw/zinc/62/18/70/350621870.db2.gz UREXRWGVCILEME-GFCCVEGCSA-N 1 2 297.366 0.792 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000157257350 350641595 /nfs/dbraw/zinc/64/15/95/350641595.db2.gz ISNORGCGKXYMSO-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000157257350 350641599 /nfs/dbraw/zinc/64/15/99/350641599.db2.gz ISNORGCGKXYMSO-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155477 199377357 /nfs/dbraw/zinc/37/73/57/199377357.db2.gz FYCWKTPGQCVEIZ-QWRGUYRKSA-N 1 2 291.355 0.412 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155477 199377358 /nfs/dbraw/zinc/37/73/58/199377358.db2.gz FYCWKTPGQCVEIZ-QWRGUYRKSA-N 1 2 291.355 0.412 20 30 CCEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000175581129 351135054 /nfs/dbraw/zinc/13/50/54/351135054.db2.gz KLGBAUSFQWJJJZ-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO COc1ccc(C#N)cc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603235408 363015865 /nfs/dbraw/zinc/01/58/65/363015865.db2.gz QJWZIYVGTDDGFB-CQSZACIVSA-N 1 2 299.334 0.868 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184805658 351423628 /nfs/dbraw/zinc/42/36/28/351423628.db2.gz AUSHAZYHKXAQLX-NSHDSACASA-N 1 2 286.339 0.615 20 30 CCEDLO C=CCn1nnnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC000188301191 351585459 /nfs/dbraw/zinc/58/54/59/351585459.db2.gz PWNUUCOENSDCSA-SNVBAGLBSA-N 1 2 269.374 0.672 20 30 CCEDLO C=CCn1nnnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC000188301191 351585461 /nfs/dbraw/zinc/58/54/61/351585461.db2.gz PWNUUCOENSDCSA-SNVBAGLBSA-N 1 2 269.374 0.672 20 30 CCEDLO C=CCOCCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000618524387 366036754 /nfs/dbraw/zinc/03/67/54/366036754.db2.gz CYKPWLWPLMCPFK-ZDUSSCGKSA-N 1 2 280.372 0.732 20 30 CCEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC(C#N)C2)C1 ZINC000603348004 363081349 /nfs/dbraw/zinc/08/13/49/363081349.db2.gz BWWWSIOZLZWUEU-UHFFFAOYSA-N 1 2 291.376 0.819 20 30 CCEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC(C#N)C2)C1 ZINC000603348004 363081353 /nfs/dbraw/zinc/08/13/53/363081353.db2.gz BWWWSIOZLZWUEU-UHFFFAOYSA-N 1 2 291.376 0.819 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189371678 351672540 /nfs/dbraw/zinc/67/25/40/351672540.db2.gz PBCOOBUTOIZZTD-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189371678 351672544 /nfs/dbraw/zinc/67/25/44/351672544.db2.gz PBCOOBUTOIZZTD-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C#N)c1 ZINC000192705148 351794386 /nfs/dbraw/zinc/79/43/86/351794386.db2.gz KSFWQWRLUHDVJD-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO CCN([C@@H](C)C#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603387747 363104752 /nfs/dbraw/zinc/10/47/52/363104752.db2.gz GLZRVHCRSFCWNR-JTQLQIEISA-N 1 2 256.331 0.447 20 30 CCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000232640361 352146399 /nfs/dbraw/zinc/14/63/99/352146399.db2.gz VPFLVTTXANPTGT-UHFFFAOYSA-N 1 2 294.380 0.668 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC000265291380 352630900 /nfs/dbraw/zinc/63/09/00/352630900.db2.gz ZSUZKQUBESKIBZ-UHFFFAOYSA-N 1 2 260.341 0.808 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000266993769 352737387 /nfs/dbraw/zinc/73/73/87/352737387.db2.gz KBNMMTZHVVLHJF-UHFFFAOYSA-N 1 2 272.348 0.829 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncccc1C#N ZINC000267547608 352774257 /nfs/dbraw/zinc/77/42/57/352774257.db2.gz RCFZBTXYYCYGGX-CYBMUJFWSA-N 1 2 276.340 0.083 20 30 CCEDLO C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268247704 352819921 /nfs/dbraw/zinc/81/99/21/352819921.db2.gz YTWUYDDDGWPUON-UHFFFAOYSA-N 1 2 299.396 0.760 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C2SCCS2)CC1 ZINC000270545905 352946228 /nfs/dbraw/zinc/94/62/28/352946228.db2.gz YTQLCACKBOMFIM-UHFFFAOYSA-N 1 2 270.423 0.960 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272497593 353068969 /nfs/dbraw/zinc/06/89/69/353068969.db2.gz DDHNHKRPCSGLPV-AVGNSLFASA-N 1 2 299.367 0.740 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272497593 353068970 /nfs/dbraw/zinc/06/89/70/353068970.db2.gz DDHNHKRPCSGLPV-AVGNSLFASA-N 1 2 299.367 0.740 20 30 CCEDLO C=C(C)CC[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000274757479 353159418 /nfs/dbraw/zinc/15/94/18/353159418.db2.gz CTWKMXXOOAGGJK-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=C(C)CC[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000274757479 353159419 /nfs/dbraw/zinc/15/94/19/353159419.db2.gz CTWKMXXOOAGGJK-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000556127260 290988860 /nfs/dbraw/zinc/98/88/60/290988860.db2.gz CKJMSDCCIVJESX-UHFFFAOYSA-N 1 2 288.351 0.666 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156803448 188282391 /nfs/dbraw/zinc/28/23/91/188282391.db2.gz QIXGRMOBEFGTGE-KGLIPLIRSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000156803448 188282392 /nfs/dbraw/zinc/28/23/92/188282392.db2.gz QIXGRMOBEFGTGE-KGLIPLIRSA-N 1 2 282.384 0.659 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000158040683 188354746 /nfs/dbraw/zinc/35/47/46/188354746.db2.gz ARYAAVHICNIRBH-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000299435771 354016292 /nfs/dbraw/zinc/01/62/92/354016292.db2.gz XYEKNHSLXFIWSF-CYBMUJFWSA-N 1 2 270.336 0.484 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305197474 354138482 /nfs/dbraw/zinc/13/84/82/354138482.db2.gz ZPPNEYRHESFLTL-GXSJLCMTSA-N 1 2 292.301 0.760 20 30 CCEDLO O=C(CN1CCOCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329165290 354253557 /nfs/dbraw/zinc/25/35/57/354253557.db2.gz HJRHJAIUDGPSQF-JTQLQIEISA-N 1 2 264.329 0.556 20 30 CCEDLO O=C(CN1CCOCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329165290 354253559 /nfs/dbraw/zinc/25/35/59/354253559.db2.gz HJRHJAIUDGPSQF-JTQLQIEISA-N 1 2 264.329 0.556 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@H]21 ZINC000330027451 354287342 /nfs/dbraw/zinc/28/73/42/354287342.db2.gz NDBIIYVHDJFKNR-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@H]21 ZINC000330027451 354287343 /nfs/dbraw/zinc/28/73/43/354287343.db2.gz NDBIIYVHDJFKNR-OLZOCXBDSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000284667773 283026924 /nfs/dbraw/zinc/02/69/24/283026924.db2.gz MGUWCDGHQTXHNG-STQMWFEESA-N 1 2 274.324 0.431 20 30 CCEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000284667773 283026929 /nfs/dbraw/zinc/02/69/29/283026929.db2.gz MGUWCDGHQTXHNG-STQMWFEESA-N 1 2 274.324 0.431 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1F ZINC000331144121 354465536 /nfs/dbraw/zinc/46/55/36/354465536.db2.gz GAWISIHHISTPSC-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1F ZINC000331144121 354465539 /nfs/dbraw/zinc/46/55/39/354465539.db2.gz GAWISIHHISTPSC-LBPRGKRZSA-N 1 2 297.355 0.950 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000332228651 283034100 /nfs/dbraw/zinc/03/41/00/283034100.db2.gz LJUWVTGFHGVFFT-KGLIPLIRSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000332228651 283034101 /nfs/dbraw/zinc/03/41/01/283034101.db2.gz LJUWVTGFHGVFFT-KGLIPLIRSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000332223658 283034137 /nfs/dbraw/zinc/03/41/37/283034137.db2.gz KBLSQEMIKDGINP-KBPBESRZSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000332223658 283034138 /nfs/dbraw/zinc/03/41/38/283034138.db2.gz KBLSQEMIKDGINP-KBPBESRZSA-N 1 2 289.310 0.852 20 30 CCEDLO CN(C)C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000334490015 354875624 /nfs/dbraw/zinc/87/56/24/354875624.db2.gz DGUQJJSEVTXDRD-UHFFFAOYSA-N 1 2 275.356 0.696 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338626190 355383020 /nfs/dbraw/zinc/38/30/20/355383020.db2.gz MJBYCLKVRGSJKE-HNNXBMFYSA-N 1 2 291.326 0.581 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338626190 355383023 /nfs/dbraw/zinc/38/30/23/355383023.db2.gz MJBYCLKVRGSJKE-HNNXBMFYSA-N 1 2 291.326 0.581 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338625651 355383061 /nfs/dbraw/zinc/38/30/61/355383061.db2.gz OZHJFNBORREUEW-ZDUSSCGKSA-N 1 2 256.321 0.593 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338625651 355383063 /nfs/dbraw/zinc/38/30/63/355383063.db2.gz OZHJFNBORREUEW-ZDUSSCGKSA-N 1 2 256.321 0.593 20 30 CCEDLO CCS(=O)(=O)N1CC(CNc2cc(C)[nH+]cc2C#N)C1 ZINC000425251538 235277490 /nfs/dbraw/zinc/27/74/90/235277490.db2.gz FMSLHICEELCVLZ-UHFFFAOYSA-N 1 2 294.380 0.377 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000353375660 356211918 /nfs/dbraw/zinc/21/19/18/356211918.db2.gz ACJCPZMPICZFSR-UHFFFAOYSA-N 1 2 283.291 0.328 20 30 CCEDLO N#Cc1ccc(C(=O)NCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000353375660 356211921 /nfs/dbraw/zinc/21/19/21/356211921.db2.gz ACJCPZMPICZFSR-UHFFFAOYSA-N 1 2 283.291 0.328 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3COC[C@H]3O)CC2)cc1 ZINC000361288278 138027676 /nfs/dbraw/zinc/02/76/76/138027676.db2.gz MVUNKIDLXUDAEG-HZPDHXFCSA-N 1 2 287.363 0.436 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3COC[C@@H]3O)CCO2)c1 ZINC000361354692 138031946 /nfs/dbraw/zinc/03/19/46/138031946.db2.gz LEYSRTWJKFSBRN-ILXRZTDVSA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3COC[C@@H]3O)CCO2)c1 ZINC000361354692 138031947 /nfs/dbraw/zinc/03/19/47/138031947.db2.gz LEYSRTWJKFSBRN-ILXRZTDVSA-N 1 2 274.320 0.691 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000353897661 356311712 /nfs/dbraw/zinc/31/17/12/356311712.db2.gz OPGJFHIBADSSLN-CYBMUJFWSA-N 1 2 288.351 0.672 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000353897661 356311715 /nfs/dbraw/zinc/31/17/15/356311715.db2.gz OPGJFHIBADSSLN-CYBMUJFWSA-N 1 2 288.351 0.672 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOCCO)CCO2)c1 ZINC000361180576 138024396 /nfs/dbraw/zinc/02/43/96/138024396.db2.gz WHOXMDAIIHMCBD-HNNXBMFYSA-N 1 2 276.336 0.940 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOCCO)CCO2)c1 ZINC000361180576 138024397 /nfs/dbraw/zinc/02/43/97/138024397.db2.gz WHOXMDAIIHMCBD-HNNXBMFYSA-N 1 2 276.336 0.940 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000619444036 366253871 /nfs/dbraw/zinc/25/38/71/366253871.db2.gz QIXFUVQIALRGBH-UHFFFAOYSA-N 1 2 256.265 0.435 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355076505 356568599 /nfs/dbraw/zinc/56/85/99/356568599.db2.gz CKAVGZOUQFXUDQ-LBPRGKRZSA-N 1 2 273.340 0.339 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000355973329 356677878 /nfs/dbraw/zinc/67/78/78/356677878.db2.gz VEKCGAWYFGRCLE-UHFFFAOYSA-N 1 2 291.355 0.086 20 30 CCEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cn[nH]c1 ZINC000610487644 363566653 /nfs/dbraw/zinc/56/66/53/363566653.db2.gz QOEZVJYPRKJCAF-CYBMUJFWSA-N 1 2 261.329 0.650 20 30 CCEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cn[nH]c1 ZINC000610487644 363566656 /nfs/dbraw/zinc/56/66/56/363566656.db2.gz QOEZVJYPRKJCAF-CYBMUJFWSA-N 1 2 261.329 0.650 20 30 CCEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000366434824 357206745 /nfs/dbraw/zinc/20/67/45/357206745.db2.gz GWWXWCKSCARYNY-LBPRGKRZSA-N 1 2 288.311 0.273 20 30 CCEDLO N#Cc1cc2c(nc1NCC[NH+]1CCOCC1)CCOC2 ZINC000450210832 236074781 /nfs/dbraw/zinc/07/47/81/236074781.db2.gz LQKFHJWBBWTJQL-UHFFFAOYSA-N 1 2 288.351 0.192 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000451289930 236150274 /nfs/dbraw/zinc/15/02/74/236150274.db2.gz XJDXNYVTSPOXEK-NSHDSACASA-N 1 2 290.367 0.988 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C(N)=O)O1 ZINC000562383716 291148954 /nfs/dbraw/zinc/14/89/54/291148954.db2.gz UKJVCKJRMNWBPE-BXKDBHETSA-N 1 2 260.297 0.028 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C(N)=O)O1 ZINC000562383716 291148956 /nfs/dbraw/zinc/14/89/56/291148956.db2.gz UKJVCKJRMNWBPE-BXKDBHETSA-N 1 2 260.297 0.028 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cc(C#N)ncn2)C1 ZINC000562534672 291157429 /nfs/dbraw/zinc/15/74/29/291157429.db2.gz HBGLWAUSPGRUNX-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cc(C#N)ncn2)C1 ZINC000562534672 291157430 /nfs/dbraw/zinc/15/74/30/291157430.db2.gz HBGLWAUSPGRUNX-LLVKDONJSA-N 1 2 289.339 0.067 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CC(=O)N(C4CC4)C3)n2c1 ZINC000562627174 291160492 /nfs/dbraw/zinc/16/04/92/291160492.db2.gz OPHXLJJVLWZAMX-UHFFFAOYSA-N 1 2 281.319 0.970 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000570509360 358863918 /nfs/dbraw/zinc/86/39/18/358863918.db2.gz ZXSWDFYMKFQHTG-CYBMUJFWSA-N 1 2 272.308 0.811 20 30 CCEDLO Cc1cccn2cc(CC(=O)NCC#CCO)[nH+]c12 ZINC000574098251 359029261 /nfs/dbraw/zinc/02/92/61/359029261.db2.gz KKJFCQPNKIKUQM-UHFFFAOYSA-N 1 2 257.293 0.297 20 30 CCEDLO Cc1noc(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580749835 359089399 /nfs/dbraw/zinc/08/93/99/359089399.db2.gz NEUPXGAEQIPVJM-CYBMUJFWSA-N 1 2 264.329 0.794 20 30 CCEDLO C=CCCOCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000589125277 359360624 /nfs/dbraw/zinc/36/06/24/359360624.db2.gz XRSHHDTWXXOIOA-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO COCCN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000588459401 359324562 /nfs/dbraw/zinc/32/45/62/359324562.db2.gz GJKCHOSBBRZQFD-UHFFFAOYSA-N 1 2 250.302 0.731 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590410436 359454118 /nfs/dbraw/zinc/45/41/18/359454118.db2.gz ONDAQGFALFCACN-OAHLLOKOSA-N 1 2 285.347 0.749 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590599549 359496608 /nfs/dbraw/zinc/49/66/08/359496608.db2.gz IMTRAGXOTNHWOO-CQSZACIVSA-N 1 2 275.356 0.822 20 30 CCEDLO Cc1ccc(C#N)nc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000590578204 359488548 /nfs/dbraw/zinc/48/85/48/359488548.db2.gz NDXSHYFRYMJMER-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1ccc(C#N)nc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000590578204 359488552 /nfs/dbraw/zinc/48/85/52/359488552.db2.gz NDXSHYFRYMJMER-CYBMUJFWSA-N 1 2 259.357 0.919 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591056215 359551032 /nfs/dbraw/zinc/55/10/32/359551032.db2.gz DBPBOCONNLCXPO-ZWNOBZJWSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591056215 359551035 /nfs/dbraw/zinc/55/10/35/359551035.db2.gz DBPBOCONNLCXPO-ZWNOBZJWSA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000591344409 359579536 /nfs/dbraw/zinc/57/95/36/359579536.db2.gz HQMSLMUPOBXLLX-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)C(=O)OC ZINC000591495686 359598338 /nfs/dbraw/zinc/59/83/38/359598338.db2.gz BALHWYFKLNCVLM-DCAQKATOSA-N 1 2 254.330 0.595 20 30 CCEDLO Cc1ccc(S(=O)(=O)NCC[NH2+]CCC#N)s1 ZINC000591756883 359653941 /nfs/dbraw/zinc/65/39/41/359653941.db2.gz ZHXRNPGOIZGMMZ-UHFFFAOYSA-N 1 2 273.383 0.838 20 30 CCEDLO CCCCNc1cc(N2CC[C@](O)(CC#N)C2)nc(N)[nH+]1 ZINC000591975702 359716334 /nfs/dbraw/zinc/71/63/34/359716334.db2.gz QRFKRRZKEXDZTK-CQSZACIVSA-N 1 2 290.371 0.956 20 30 CCEDLO CCCCNc1cc(N2CC[C@](O)(CC#N)C2)[nH+]c(N)n1 ZINC000591975702 359716335 /nfs/dbraw/zinc/71/63/35/359716335.db2.gz QRFKRRZKEXDZTK-CQSZACIVSA-N 1 2 290.371 0.956 20 30 CCEDLO COC(=O)[C@H](O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592083627 359751171 /nfs/dbraw/zinc/75/11/71/359751171.db2.gz DEDNYPGAKBYISB-CQSZACIVSA-N 1 2 289.335 0.699 20 30 CCEDLO COCC1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592086119 359752233 /nfs/dbraw/zinc/75/22/33/359752233.db2.gz NSRLWQZZMYMOMA-UHFFFAOYSA-N 1 2 261.325 0.927 20 30 CCEDLO COc1cc[nH+]cc1CNC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592025940 359736361 /nfs/dbraw/zinc/73/63/61/359736361.db2.gz HPBAIAKWKAIMPU-AWEZNQCLSA-N 1 2 290.323 0.650 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148064 359767087 /nfs/dbraw/zinc/76/70/87/359767087.db2.gz QTBKXVPWAWRUQI-BXUZGUMPSA-N 1 2 296.371 0.207 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148064 359767091 /nfs/dbraw/zinc/76/70/91/359767091.db2.gz QTBKXVPWAWRUQI-BXUZGUMPSA-N 1 2 296.371 0.207 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149257 359768813 /nfs/dbraw/zinc/76/88/13/359768813.db2.gz LURJNMQXFURNQM-JSGCOSHPSA-N 1 2 277.299 0.703 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000592149257 359768817 /nfs/dbraw/zinc/76/88/17/359768817.db2.gz LURJNMQXFURNQM-JSGCOSHPSA-N 1 2 277.299 0.703 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174026 363670628 /nfs/dbraw/zinc/67/06/28/363670628.db2.gz CAPNIAFDKFNBDP-AWEZNQCLSA-N 1 2 291.399 0.526 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180862 363674679 /nfs/dbraw/zinc/67/46/79/363674679.db2.gz YKEYPWYKTYLVJB-UHFFFAOYSA-N 1 2 273.283 0.729 20 30 CCEDLO C[C@@H]1[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC[N@@H+]1C ZINC000592947031 359991718 /nfs/dbraw/zinc/99/17/18/359991718.db2.gz OPNWRCOTHMTCOT-PSASIEDQSA-N 1 2 273.340 0.859 20 30 CCEDLO C[C@@H]1[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC[N@H+]1C ZINC000592947031 359991722 /nfs/dbraw/zinc/99/17/22/359991722.db2.gz OPNWRCOTHMTCOT-PSASIEDQSA-N 1 2 273.340 0.859 20 30 CCEDLO N#CC1(CNC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000592999868 360012058 /nfs/dbraw/zinc/01/20/58/360012058.db2.gz VLFVHHMRIQOTOE-UHFFFAOYSA-N 1 2 280.372 0.702 20 30 CCEDLO CO[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000593153375 360048546 /nfs/dbraw/zinc/04/85/46/360048546.db2.gz MRGKMXWQKIUFGH-WCBMZHEXSA-N 1 2 281.278 0.914 20 30 CCEDLO Cn1nc2c(c1C(=O)N[C@](C)(C#N)C[NH+](C)C)CCCC2 ZINC000593154239 360048860 /nfs/dbraw/zinc/04/88/60/360048860.db2.gz BPGMKDRZRHNSPI-OAHLLOKOSA-N 1 2 289.383 0.873 20 30 CCEDLO CCn1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000593153087 360047907 /nfs/dbraw/zinc/04/79/07/360047907.db2.gz AJSGWYFDLIBYJG-CYBMUJFWSA-N 1 2 263.345 0.406 20 30 CCEDLO N#CCN1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000593477963 360095646 /nfs/dbraw/zinc/09/56/46/360095646.db2.gz OQXQKUQYTJRQKT-UHFFFAOYSA-N 1 2 287.367 0.430 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593489296 360097623 /nfs/dbraw/zinc/09/76/23/360097623.db2.gz GKZJTZMTAINGCX-LBPRGKRZSA-N 1 2 274.324 0.513 20 30 CCEDLO C#CCNC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000176923193 189014654 /nfs/dbraw/zinc/01/46/54/189014654.db2.gz CTQVHCZXAQHISH-JTQLQIEISA-N 1 2 266.370 0.438 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000593992773 360229791 /nfs/dbraw/zinc/22/97/91/360229791.db2.gz DRCOAWUQOXIJTD-NEPJUHHUSA-N 1 2 280.368 0.951 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(n1)OCCO2 ZINC000594024530 360237197 /nfs/dbraw/zinc/23/71/97/360237197.db2.gz NGDJUQZILUFNAN-CQSZACIVSA-N 1 2 290.323 0.426 20 30 CCEDLO C=C[C@H](NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C(=O)OC ZINC000594710362 360363739 /nfs/dbraw/zinc/36/37/39/360363739.db2.gz ICZCSTBUBNYSFL-SRVKXCTJSA-N 1 2 256.346 0.413 20 30 CCEDLO C=C[C@H](NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C(=O)OC ZINC000594710362 360363745 /nfs/dbraw/zinc/36/37/45/360363745.db2.gz ICZCSTBUBNYSFL-SRVKXCTJSA-N 1 2 256.346 0.413 20 30 CCEDLO Cc1noc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1[N+](=O)[O-] ZINC000595556274 360578518 /nfs/dbraw/zinc/57/85/18/360578518.db2.gz BGIYLZVOIXJKQX-NSHDSACASA-N 1 2 266.257 0.742 20 30 CCEDLO Cc1noc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1[N+](=O)[O-] ZINC000595556274 360578526 /nfs/dbraw/zinc/57/85/26/360578526.db2.gz BGIYLZVOIXJKQX-NSHDSACASA-N 1 2 266.257 0.742 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620731 360601164 /nfs/dbraw/zinc/60/11/64/360601164.db2.gz PNTCEECJBYLLJS-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620731 360601168 /nfs/dbraw/zinc/60/11/68/360601168.db2.gz PNTCEECJBYLLJS-GFCCVEGCSA-N 1 2 294.399 0.643 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCO[C@H]2C(=O)OC)nn1 ZINC000595658737 360608714 /nfs/dbraw/zinc/60/87/14/360608714.db2.gz HXQKKMOYQXVFNS-NWDGAFQWSA-N 1 2 280.328 0.274 20 30 CCEDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000595660408 360609983 /nfs/dbraw/zinc/60/99/83/360609983.db2.gz XNJVKGJGHXUJDM-NWDGAFQWSA-N 1 2 261.281 0.373 20 30 CCEDLO C[C@]1(C#N)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595844483 360677403 /nfs/dbraw/zinc/67/74/03/360677403.db2.gz TVJILZLBENFBPD-CYBMUJFWSA-N 1 2 276.296 0.992 20 30 CCEDLO C[C@]1(C#N)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595844483 360677407 /nfs/dbraw/zinc/67/74/07/360677407.db2.gz TVJILZLBENFBPD-CYBMUJFWSA-N 1 2 276.296 0.992 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1[nH]nc(C)c1C(=O)OCC ZINC000595872781 360687490 /nfs/dbraw/zinc/68/74/90/360687490.db2.gz GPXWYPZCRLGXAX-SECBINFHSA-N 1 2 253.302 0.531 20 30 CCEDLO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C#N ZINC000595813484 360665043 /nfs/dbraw/zinc/66/50/43/360665043.db2.gz NEGCOKLJHDVQCE-ONGXEEELSA-N 1 2 267.289 0.386 20 30 CCEDLO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C#N ZINC000595813484 360665048 /nfs/dbraw/zinc/66/50/48/360665048.db2.gz NEGCOKLJHDVQCE-ONGXEEELSA-N 1 2 267.289 0.386 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834356 360673728 /nfs/dbraw/zinc/67/37/28/360673728.db2.gz KUPHKWQFCISASF-RNCFNFMXSA-N 1 2 264.329 0.599 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834356 360673730 /nfs/dbraw/zinc/67/37/30/360673730.db2.gz KUPHKWQFCISASF-RNCFNFMXSA-N 1 2 264.329 0.599 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836182 360674773 /nfs/dbraw/zinc/67/47/73/360674773.db2.gz XCIXAPNVJVGFGW-ZWNOBZJWSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836182 360674775 /nfs/dbraw/zinc/67/47/75/360674775.db2.gz XCIXAPNVJVGFGW-ZWNOBZJWSA-N 1 2 264.329 0.622 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@@H](C)CO1 ZINC000596454258 360899129 /nfs/dbraw/zinc/89/91/29/360899129.db2.gz RKEOQWARJDNMIG-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)[C@@H](C)CO1 ZINC000596454258 360899132 /nfs/dbraw/zinc/89/91/32/360899132.db2.gz RKEOQWARJDNMIG-WDEREUQCSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CCOCC1 ZINC000596805075 360960001 /nfs/dbraw/zinc/96/00/01/360960001.db2.gz IPGCFGBRKZWADD-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000180254976 189247068 /nfs/dbraw/zinc/24/70/68/189247068.db2.gz PCCXLTMEACIGHW-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000180254976 189247069 /nfs/dbraw/zinc/24/70/69/189247069.db2.gz PCCXLTMEACIGHW-CQSZACIVSA-N 1 2 289.335 0.514 20 30 CCEDLO CN(C)[C@@H](C(=O)N1CC(CC#N)C1)c1c[nH+]cn1C ZINC000598023357 361317177 /nfs/dbraw/zinc/31/71/77/361317177.db2.gz UUQHOPIAAGWHDM-GFCCVEGCSA-N 1 2 261.329 0.395 20 30 CCEDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)c(C#N)cn1 ZINC000564207000 291269662 /nfs/dbraw/zinc/26/96/62/291269662.db2.gz LUZNJBJAIRQVLF-UHFFFAOYSA-N 1 2 272.352 0.960 20 30 CCEDLO CN(C)[C@H](C(=O)N1CC[C@](C)(C#N)C1)c1c[nH+]cn1C ZINC000598419378 361409666 /nfs/dbraw/zinc/40/96/66/361409666.db2.gz ZQMOUHXDLHPBGV-GXTWGEPZSA-N 1 2 275.356 0.785 20 30 CCEDLO CCC(=O)N1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598622746 361464523 /nfs/dbraw/zinc/46/45/23/361464523.db2.gz QPAGCLCKRCBERS-LLVKDONJSA-N 1 2 253.346 0.799 20 30 CCEDLO CCC(=O)N1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598622746 361464530 /nfs/dbraw/zinc/46/45/30/361464530.db2.gz QPAGCLCKRCBERS-LLVKDONJSA-N 1 2 253.346 0.799 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595682 361453538 /nfs/dbraw/zinc/45/35/38/361453538.db2.gz FTBJOSKAJQMZNO-NWDGAFQWSA-N 1 2 286.372 0.797 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595682 361453539 /nfs/dbraw/zinc/45/35/39/361453539.db2.gz FTBJOSKAJQMZNO-NWDGAFQWSA-N 1 2 286.372 0.797 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000598600658 361456625 /nfs/dbraw/zinc/45/66/25/361456625.db2.gz PHFXQCPHMRYHOF-ZJUUUORDSA-N 1 2 271.386 0.190 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC[C@H]1C(N)=O ZINC000598600658 361456629 /nfs/dbraw/zinc/45/66/29/361456629.db2.gz PHFXQCPHMRYHOF-ZJUUUORDSA-N 1 2 271.386 0.190 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000598945681 361536388 /nfs/dbraw/zinc/53/63/88/361536388.db2.gz AVWSLLYZOJOEHT-JTQLQIEISA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000599159396 361592250 /nfs/dbraw/zinc/59/22/50/361592250.db2.gz BJVRRESWAUTKOS-LLVKDONJSA-N 1 2 291.311 0.791 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000599159396 361592255 /nfs/dbraw/zinc/59/22/55/361592255.db2.gz BJVRRESWAUTKOS-LLVKDONJSA-N 1 2 291.311 0.791 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000599191620 361606486 /nfs/dbraw/zinc/60/64/86/361606486.db2.gz ATWXCMDGDVQOKZ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000599191620 361606492 /nfs/dbraw/zinc/60/64/92/361606492.db2.gz ATWXCMDGDVQOKZ-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612165201 363858437 /nfs/dbraw/zinc/85/84/37/363858437.db2.gz LCEKHEFGDLNOQN-AWEZNQCLSA-N 1 2 278.356 0.942 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612165201 363858440 /nfs/dbraw/zinc/85/84/40/363858440.db2.gz LCEKHEFGDLNOQN-AWEZNQCLSA-N 1 2 278.356 0.942 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612246524 363869814 /nfs/dbraw/zinc/86/98/14/363869814.db2.gz ZWWMIBVWUPMKJS-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612246524 363869818 /nfs/dbraw/zinc/86/98/18/363869818.db2.gz ZWWMIBVWUPMKJS-OAHLLOKOSA-N 1 2 294.399 0.595 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)ccn1 ZINC000612454938 363928322 /nfs/dbraw/zinc/92/83/22/363928322.db2.gz VENKTXKLEUSUIC-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)ccn1 ZINC000612454938 363928326 /nfs/dbraw/zinc/92/83/26/363928326.db2.gz VENKTXKLEUSUIC-LBPRGKRZSA-N 1 2 280.353 0.206 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613252452 364180962 /nfs/dbraw/zinc/18/09/62/364180962.db2.gz GKJJZVBMKYEEJU-QWRGUYRKSA-N 1 2 263.341 0.815 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613252452 364180969 /nfs/dbraw/zinc/18/09/69/364180969.db2.gz GKJJZVBMKYEEJU-QWRGUYRKSA-N 1 2 263.341 0.815 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3ncncc3C#N)CC2)cn1 ZINC000564892703 291311645 /nfs/dbraw/zinc/31/16/45/291311645.db2.gz NIMOJDIVZPRUTF-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCC ZINC000614344360 364578705 /nfs/dbraw/zinc/57/87/05/364578705.db2.gz CQWTUPKBQJIOHO-GFCCVEGCSA-N 1 2 267.373 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCC ZINC000614344360 364578709 /nfs/dbraw/zinc/57/87/09/364578709.db2.gz CQWTUPKBQJIOHO-GFCCVEGCSA-N 1 2 267.373 0.643 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615521223 364992348 /nfs/dbraw/zinc/99/23/48/364992348.db2.gz RJBFWDXURBQIQM-JQWIXIFHSA-N 1 2 265.292 0.919 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000615825587 365097435 /nfs/dbraw/zinc/09/74/35/365097435.db2.gz RPQOYSSZDTXWPK-GWCFXTLKSA-N 1 2 262.288 0.910 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697245 365431292 /nfs/dbraw/zinc/43/12/92/365431292.db2.gz WCUULMLMSHCQEF-FMSGJZPZSA-N 1 2 270.373 0.537 20 30 CCEDLO C=C[C@](C)(O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616697245 365431296 /nfs/dbraw/zinc/43/12/96/365431296.db2.gz WCUULMLMSHCQEF-FMSGJZPZSA-N 1 2 270.373 0.537 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333810 368150824 /nfs/dbraw/zinc/15/08/24/368150824.db2.gz MLCIFSKVLNXFAT-CHWSQXEVSA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333810 368150826 /nfs/dbraw/zinc/15/08/26/368150826.db2.gz MLCIFSKVLNXFAT-CHWSQXEVSA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cncc(C#N)n1 ZINC000566793610 291438012 /nfs/dbraw/zinc/43/80/12/291438012.db2.gz XROCNIVGEBCOBG-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330626152 203055729 /nfs/dbraw/zinc/05/57/29/203055729.db2.gz IPZNQNPZXYXKHK-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330626152 203055732 /nfs/dbraw/zinc/05/57/32/203055732.db2.gz IPZNQNPZXYXKHK-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO Cc1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC000330618142 203045569 /nfs/dbraw/zinc/04/55/69/203045569.db2.gz GZCPYIFCMBNUAZ-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC000330618142 203045572 /nfs/dbraw/zinc/04/55/72/203045572.db2.gz GZCPYIFCMBNUAZ-LLVKDONJSA-N 1 2 288.351 0.712 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373902 368973814 /nfs/dbraw/zinc/97/38/14/368973814.db2.gz FJNBMHDNBLYDQR-GFCCVEGCSA-N 1 2 276.340 0.765 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373902 368973817 /nfs/dbraw/zinc/97/38/17/368973817.db2.gz FJNBMHDNBLYDQR-GFCCVEGCSA-N 1 2 276.340 0.765 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920677 369465661 /nfs/dbraw/zinc/46/56/61/369465661.db2.gz NUUQLOQDDPDWKU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920677 369465671 /nfs/dbraw/zinc/46/56/71/369465671.db2.gz NUUQLOQDDPDWKU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@@H+](CCc1ccnn1C)[C@H]1CCS(=O)(=O)C1 ZINC000276330194 193289948 /nfs/dbraw/zinc/28/99/48/193289948.db2.gz QTLXSPKZJQAQDP-ZDUSSCGKSA-N 1 2 283.397 0.638 20 30 CCEDLO C=CC[N@H+](CCc1ccnn1C)[C@H]1CCS(=O)(=O)C1 ZINC000276330194 193289950 /nfs/dbraw/zinc/28/99/50/193289950.db2.gz QTLXSPKZJQAQDP-ZDUSSCGKSA-N 1 2 283.397 0.638 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000277038295 193537757 /nfs/dbraw/zinc/53/77/57/193537757.db2.gz DOTDNWGHHUWHHC-UHFFFAOYSA-N 1 2 265.357 0.198 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631647601 370626368 /nfs/dbraw/zinc/62/63/68/370626368.db2.gz SMRPFWQADSMUDX-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C(C)CN(CC)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631647601 370626372 /nfs/dbraw/zinc/62/63/72/370626372.db2.gz SMRPFWQADSMUDX-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=CCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632384656 371024625 /nfs/dbraw/zinc/02/46/25/371024625.db2.gz NDRPSBZENBQJQS-CYBMUJFWSA-N 1 2 288.413 0.689 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293818 373530440 /nfs/dbraw/zinc/53/04/40/373530440.db2.gz RITBQTPBOKYXOT-INIZCTEOSA-N 1 2 289.379 0.705 20 30 CCEDLO C=CC[N@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000639532124 375825109 /nfs/dbraw/zinc/82/51/09/375825109.db2.gz RYSAYOSXOYCUBC-VXGBXAGGSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CC[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000639532124 375825113 /nfs/dbraw/zinc/82/51/13/375825113.db2.gz RYSAYOSXOYCUBC-VXGBXAGGSA-N 1 2 296.396 0.441 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621653 375865481 /nfs/dbraw/zinc/86/54/81/375865481.db2.gz CBXMPEGTMFUEFS-KGLIPLIRSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621653 375865488 /nfs/dbraw/zinc/86/54/88/375865488.db2.gz CBXMPEGTMFUEFS-KGLIPLIRSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621654 375865793 /nfs/dbraw/zinc/86/57/93/375865793.db2.gz CBXMPEGTMFUEFS-UONOGXRCSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C3CCC3)C2=O)C1=O ZINC000639621654 375865796 /nfs/dbraw/zinc/86/57/96/375865796.db2.gz CBXMPEGTMFUEFS-UONOGXRCSA-N 1 2 291.395 0.859 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CCOCC)nn1 ZINC000641227050 376922976 /nfs/dbraw/zinc/92/29/76/376922976.db2.gz OROLFLAZXLZEPD-CYBMUJFWSA-N 1 2 266.345 0.179 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1C#N ZINC000516148045 249152934 /nfs/dbraw/zinc/15/29/34/249152934.db2.gz OHXPLBBSTHVAGW-LBPRGKRZSA-N 1 2 290.319 0.538 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1C#N ZINC000516148045 249152936 /nfs/dbraw/zinc/15/29/36/249152936.db2.gz OHXPLBBSTHVAGW-LBPRGKRZSA-N 1 2 290.319 0.538 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000657088452 412885896 /nfs/dbraw/zinc/88/58/96/412885896.db2.gz CNFTYYLODUGWMX-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=C(C)CS(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000657088452 412885897 /nfs/dbraw/zinc/88/58/97/412885897.db2.gz CNFTYYLODUGWMX-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO Cn1cc(C[NH+]2CCN(c3cc(C#N)ncn3)CC2)cn1 ZINC000571360899 291809430 /nfs/dbraw/zinc/80/94/30/291809430.db2.gz AZNAULUZKTUEIM-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1ccnc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000288465650 197086501 /nfs/dbraw/zinc/08/65/01/197086501.db2.gz PDZISNKJNJRXRU-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n(C)n1 ZINC000329232962 227369544 /nfs/dbraw/zinc/36/95/44/227369544.db2.gz LPVIFTZKZBTOIP-NSHDSACASA-N 1 2 280.376 0.300 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)n(C)n1 ZINC000329232962 227369548 /nfs/dbraw/zinc/36/95/48/227369548.db2.gz LPVIFTZKZBTOIP-NSHDSACASA-N 1 2 280.376 0.300 20 30 CCEDLO C[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)[NH+]1CCOCC1 ZINC000330126363 533188596 /nfs/dbraw/zinc/18/85/96/533188596.db2.gz IRBCBIYEFCAKSN-NSHDSACASA-N 1 2 295.383 0.675 20 30 CCEDLO C=CCCCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000284190055 388774703 /nfs/dbraw/zinc/77/47/03/388774703.db2.gz YFODTUMEEBKBIY-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185907797 388817547 /nfs/dbraw/zinc/81/75/47/388817547.db2.gz ZVIJXDYSQSDZJJ-GJZGRUSLSA-N 1 2 294.399 0.771 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185907797 388817551 /nfs/dbraw/zinc/81/75/51/388817551.db2.gz ZVIJXDYSQSDZJJ-GJZGRUSLSA-N 1 2 294.399 0.771 20 30 CCEDLO C=CCCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286715961 388844641 /nfs/dbraw/zinc/84/46/41/388844641.db2.gz ZQLOHFXNPVWWAN-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000186315932 388832631 /nfs/dbraw/zinc/83/26/31/388832631.db2.gz OPBVFVSZRZGUSJ-CYBMUJFWSA-N 1 2 287.363 0.892 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000288533876 388862582 /nfs/dbraw/zinc/86/25/82/388862582.db2.gz HIOGKMNIPYTQAN-UHFFFAOYSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187349748 388878141 /nfs/dbraw/zinc/87/81/41/388878141.db2.gz MJCGYEOTJBCNAE-CYBMUJFWSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187349748 388878145 /nfs/dbraw/zinc/87/81/45/388878145.db2.gz MJCGYEOTJBCNAE-CYBMUJFWSA-N 1 2 253.346 0.279 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C[C@@H](C)C#N ZINC000049000623 388912766 /nfs/dbraw/zinc/91/27/66/388912766.db2.gz OHDWTVFDQVQGLV-QWRGUYRKSA-N 1 2 284.360 0.329 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C[C@@H](C)C#N ZINC000049000623 388912767 /nfs/dbraw/zinc/91/27/67/388912767.db2.gz OHDWTVFDQVQGLV-QWRGUYRKSA-N 1 2 284.360 0.329 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C[C@H](C)C#N ZINC000049000624 388912778 /nfs/dbraw/zinc/91/27/78/388912778.db2.gz OHDWTVFDQVQGLV-MNOVXSKESA-N 1 2 284.360 0.329 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C[C@H](C)C#N ZINC000049000624 388912779 /nfs/dbraw/zinc/91/27/79/388912779.db2.gz OHDWTVFDQVQGLV-MNOVXSKESA-N 1 2 284.360 0.329 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050049409 388925349 /nfs/dbraw/zinc/92/53/49/388925349.db2.gz BRLXINOCCKNSOA-GFCCVEGCSA-N 1 2 266.341 0.824 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050049409 388925352 /nfs/dbraw/zinc/92/53/52/388925352.db2.gz BRLXINOCCKNSOA-GFCCVEGCSA-N 1 2 266.341 0.824 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000293151233 388979932 /nfs/dbraw/zinc/97/99/32/388979932.db2.gz ODLXXANQSBJUQF-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000293151233 388979934 /nfs/dbraw/zinc/97/99/34/388979934.db2.gz ODLXXANQSBJUQF-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000192222564 389028180 /nfs/dbraw/zinc/02/81/80/389028180.db2.gz DLVOPRBYEKCLMV-CYBMUJFWSA-N 1 2 267.350 0.689 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000192222564 389028185 /nfs/dbraw/zinc/02/81/85/389028185.db2.gz DLVOPRBYEKCLMV-CYBMUJFWSA-N 1 2 267.350 0.689 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000192235995 389029956 /nfs/dbraw/zinc/02/99/56/389029956.db2.gz HRCSOUIYELBZNB-UHFFFAOYSA-N 1 2 290.319 0.475 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000192235995 389029960 /nfs/dbraw/zinc/02/99/60/389029960.db2.gz HRCSOUIYELBZNB-UHFFFAOYSA-N 1 2 290.319 0.475 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2ccnn2C)C1=O ZINC000337229442 389057261 /nfs/dbraw/zinc/05/72/61/389057261.db2.gz HQJSYASYOIIIFS-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2ccnn2C)C1=O ZINC000337229442 389057264 /nfs/dbraw/zinc/05/72/64/389057264.db2.gz HQJSYASYOIIIFS-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337233456 389057354 /nfs/dbraw/zinc/05/73/54/389057354.db2.gz WMEZRFGZGPYYOO-NWDGAFQWSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000337233456 389057356 /nfs/dbraw/zinc/05/73/56/389057356.db2.gz WMEZRFGZGPYYOO-NWDGAFQWSA-N 1 2 265.357 0.396 20 30 CCEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)nn3)CC2)S1 ZINC000301896406 389060761 /nfs/dbraw/zinc/06/07/61/389060761.db2.gz ZIUHBNSKWBCAPY-SNVBAGLBSA-N 1 2 288.380 0.962 20 30 CCEDLO C=CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000106511138 389093531 /nfs/dbraw/zinc/09/35/31/389093531.db2.gz CIPKYLGOIHHERN-ZDUSSCGKSA-N 1 2 266.389 0.594 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000338121560 389076004 /nfs/dbraw/zinc/07/60/04/389076004.db2.gz WQRUPEQNBUKNRC-CYBMUJFWSA-N 1 2 273.336 0.927 20 30 CCEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000338121560 389076006 /nfs/dbraw/zinc/07/60/06/389076006.db2.gz WQRUPEQNBUKNRC-CYBMUJFWSA-N 1 2 273.336 0.927 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000104668695 389083704 /nfs/dbraw/zinc/08/37/04/389083704.db2.gz JJDAEHWREGQAHY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000104668695 389083706 /nfs/dbraw/zinc/08/37/06/389083706.db2.gz JJDAEHWREGQAHY-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105612589 389086337 /nfs/dbraw/zinc/08/63/37/389086337.db2.gz PKDBMXCFNXQUPK-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105612589 389086341 /nfs/dbraw/zinc/08/63/41/389086341.db2.gz PKDBMXCFNXQUPK-CHWSQXEVSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105931005 389089134 /nfs/dbraw/zinc/08/91/34/389089134.db2.gz QCIGZSANCCEEPX-ZDUSSCGKSA-N 1 2 291.399 0.228 20 30 CCEDLO CC[N@H+](CC#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697247 389037576 /nfs/dbraw/zinc/03/75/76/389037576.db2.gz XVIBHVFEBCLIKB-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CC[N@@H+](CC#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697247 389037585 /nfs/dbraw/zinc/03/75/85/389037585.db2.gz XVIBHVFEBCLIKB-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439954 389039366 /nfs/dbraw/zinc/03/93/66/389039366.db2.gz VLZWFNZGHOFVMD-WDEREUQCSA-N 1 2 257.359 0.398 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439954 389039369 /nfs/dbraw/zinc/03/93/69/389039369.db2.gz VLZWFNZGHOFVMD-WDEREUQCSA-N 1 2 257.359 0.398 20 30 CCEDLO CC[C@H](C)OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000120568376 389143679 /nfs/dbraw/zinc/14/36/79/389143679.db2.gz IAQBIKTZLYQNCX-AWEZNQCLSA-N 1 2 297.399 0.876 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321893 389108324 /nfs/dbraw/zinc/10/83/24/389108324.db2.gz MLDGFLHUCUJDKV-VXGBXAGGSA-N 1 2 293.367 0.243 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H]2CC(=O)N(C)C2=O)C1=O ZINC000338321893 389108327 /nfs/dbraw/zinc/10/83/27/389108327.db2.gz MLDGFLHUCUJDKV-VXGBXAGGSA-N 1 2 293.367 0.243 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N(C)Cc1cccc(F)c1 ZINC000121375373 389147968 /nfs/dbraw/zinc/14/79/68/389147968.db2.gz SKMFFCJMKBKLPW-SNVBAGLBSA-N 1 2 297.330 0.844 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366533 389109913 /nfs/dbraw/zinc/10/99/13/389109913.db2.gz KKNNUQBMYISDBB-MCIONIFRSA-N 1 2 282.384 0.899 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366533 389109916 /nfs/dbraw/zinc/10/99/16/389109916.db2.gz KKNNUQBMYISDBB-MCIONIFRSA-N 1 2 282.384 0.899 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338588674 389113096 /nfs/dbraw/zinc/11/30/96/389113096.db2.gz ZEDQKQDLNWXUOL-YPMHNXCESA-N 1 2 271.336 0.401 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338588674 389113099 /nfs/dbraw/zinc/11/30/99/389113099.db2.gz ZEDQKQDLNWXUOL-YPMHNXCESA-N 1 2 271.336 0.401 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(C#N)c1 ZINC000121372463 389148301 /nfs/dbraw/zinc/14/83/01/389148301.db2.gz GNJSRXSTQUWBET-VIFPVBQESA-N 1 2 276.296 0.556 20 30 CCEDLO C=CCOCC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000339076934 389123954 /nfs/dbraw/zinc/12/39/54/389123954.db2.gz IQFYUZKSUQZUBP-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO C=CCOCC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000339076934 389123958 /nfs/dbraw/zinc/12/39/58/389123958.db2.gz IQFYUZKSUQZUBP-NSHDSACASA-N 1 2 262.375 0.155 20 30 CCEDLO N#CCCOCC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339085479 389125007 /nfs/dbraw/zinc/12/50/07/389125007.db2.gz XHKNRBUYUQLHHR-HNNXBMFYSA-N 1 2 287.363 0.960 20 30 CCEDLO N#CCCOCC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339085479 389125009 /nfs/dbraw/zinc/12/50/09/389125009.db2.gz XHKNRBUYUQLHHR-HNNXBMFYSA-N 1 2 287.363 0.960 20 30 CCEDLO CC(C)(C(=O)N[C@H]1[C@@H]2COC[C@@H]21)[NH+]1CCOCC1 ZINC000328675527 389130740 /nfs/dbraw/zinc/13/07/40/389130740.db2.gz KRTUFPFGMJBOIX-URLYPYJESA-N 1 2 254.330 0.699 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000339750207 389138784 /nfs/dbraw/zinc/13/87/84/389138784.db2.gz BHARENURCFBMHL-UHFFFAOYSA-N 1 2 292.339 0.079 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000339750207 389138785 /nfs/dbraw/zinc/13/87/85/389138785.db2.gz BHARENURCFBMHL-UHFFFAOYSA-N 1 2 292.339 0.079 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328824223 389139654 /nfs/dbraw/zinc/13/96/54/389139654.db2.gz GYPBJMVOOXDZFC-JHJVBQTASA-N 1 2 283.372 0.388 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328824223 389139659 /nfs/dbraw/zinc/13/96/59/389139659.db2.gz GYPBJMVOOXDZFC-JHJVBQTASA-N 1 2 283.372 0.388 20 30 CCEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000339922723 389141160 /nfs/dbraw/zinc/14/11/60/389141160.db2.gz ZOLYAZUSMAZOBT-GFCCVEGCSA-N 1 2 297.380 0.475 20 30 CCEDLO CNC(=O)N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328866250 389142581 /nfs/dbraw/zinc/14/25/81/389142581.db2.gz WQBXWLDMZJVSFD-UHFFFAOYSA-N 1 2 279.344 0.041 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000359674206 389181190 /nfs/dbraw/zinc/18/11/90/389181190.db2.gz AHPNBSWRSVUQHR-QWHCGFSZSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000359674206 389181192 /nfs/dbraw/zinc/18/11/92/389181192.db2.gz AHPNBSWRSVUQHR-QWHCGFSZSA-N 1 2 268.405 0.886 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000359951814 389186635 /nfs/dbraw/zinc/18/66/35/389186635.db2.gz FELWPYPGPIUXTR-SNVBAGLBSA-N 1 2 263.345 0.395 20 30 CCEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000329689860 389188440 /nfs/dbraw/zinc/18/84/40/389188440.db2.gz CSMPNJTVAAEGRU-STQMWFEESA-N 1 2 285.388 0.589 20 30 CCEDLO Cc1ccnc(OC2CC[NH+](CC(=O)NCC#N)CC2)c1 ZINC000360214335 389194016 /nfs/dbraw/zinc/19/40/16/389194016.db2.gz VMMAVLRRGHXUQK-UHFFFAOYSA-N 1 2 288.351 0.873 20 30 CCEDLO C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H](C)[NH+]1CCOCC1 ZINC000329748926 389195841 /nfs/dbraw/zinc/19/58/41/389195841.db2.gz FUVHOTHLSYMBFW-XDQVBPFNSA-N 1 2 297.399 0.873 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329296380 389155585 /nfs/dbraw/zinc/15/55/85/389155585.db2.gz ORSQZOAXYCLPQL-SYQHCUMBSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329296380 389155588 /nfs/dbraw/zinc/15/55/88/389155588.db2.gz ORSQZOAXYCLPQL-SYQHCUMBSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)C#N ZINC000358628663 389156519 /nfs/dbraw/zinc/15/65/19/389156519.db2.gz RXNNMLCKPXDRCG-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1cnccn1 ZINC000329389040 389161411 /nfs/dbraw/zinc/16/14/11/389161411.db2.gz QVLWCAHOFXNNRO-UHFFFAOYSA-N 1 2 293.371 0.197 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330597386 389245189 /nfs/dbraw/zinc/24/51/89/389245189.db2.gz CURLSPMXRJZKRN-JTQLQIEISA-N 1 2 295.339 0.821 20 30 CCEDLO COc1cc[nH]c(=O)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330597386 389245192 /nfs/dbraw/zinc/24/51/92/389245192.db2.gz CURLSPMXRJZKRN-JTQLQIEISA-N 1 2 295.339 0.821 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000330596010 389245264 /nfs/dbraw/zinc/24/52/64/389245264.db2.gz CJBWCYONQYPMLJ-NSHDSACASA-N 1 2 294.355 0.908 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000330596010 389245268 /nfs/dbraw/zinc/24/52/68/389245268.db2.gz CJBWCYONQYPMLJ-NSHDSACASA-N 1 2 294.355 0.908 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnccn1 ZINC000330616602 389246552 /nfs/dbraw/zinc/24/65/52/389246552.db2.gz DXARXTOAANQVMU-SNVBAGLBSA-N 1 2 250.302 0.502 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnccn1 ZINC000330616602 389246553 /nfs/dbraw/zinc/24/65/53/389246553.db2.gz DXARXTOAANQVMU-SNVBAGLBSA-N 1 2 250.302 0.502 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C#N)CC ZINC000248638915 389247710 /nfs/dbraw/zinc/24/77/10/389247710.db2.gz MKZSGIMOAFUROJ-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C#N)CC ZINC000248638915 389247713 /nfs/dbraw/zinc/24/77/13/389247713.db2.gz MKZSGIMOAFUROJ-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCCOCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363715071 389253072 /nfs/dbraw/zinc/25/30/72/389253072.db2.gz SVNHCRCYORWHOH-UHFFFAOYSA-N 1 2 282.384 0.950 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CC1 ZINC000343041226 389256722 /nfs/dbraw/zinc/25/67/22/389256722.db2.gz WZKIGJFWMCOCKY-UHFFFAOYSA-N 1 2 265.357 0.861 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249751097 389258679 /nfs/dbraw/zinc/25/86/79/389258679.db2.gz QVXXMDADBZITEC-SMDDNHRTSA-N 1 2 278.356 0.005 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249751097 389258682 /nfs/dbraw/zinc/25/86/82/389258682.db2.gz QVXXMDADBZITEC-SMDDNHRTSA-N 1 2 278.356 0.005 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000361079472 389207929 /nfs/dbraw/zinc/20/79/29/389207929.db2.gz JBXVJWVEUWSCFE-ZDUSSCGKSA-N 1 2 269.389 0.283 20 30 CCEDLO C=CCOC[C@@H]([NH2+][C@H]1CCCOCC1)C(=O)OC ZINC000361107880 389208733 /nfs/dbraw/zinc/20/87/33/389208733.db2.gz IVNGAGQVWOMPCJ-NWDGAFQWSA-N 1 2 257.330 0.889 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nccs3)C[C@H]21 ZINC000329900622 389209128 /nfs/dbraw/zinc/20/91/28/389209128.db2.gz GGEWMSWLYJCZBM-NXEZZACHSA-N 1 2 282.369 0.572 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nccs3)C[C@H]21 ZINC000329900622 389209131 /nfs/dbraw/zinc/20/91/31/389209131.db2.gz GGEWMSWLYJCZBM-NXEZZACHSA-N 1 2 282.369 0.572 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@](C)(O)CC2)C1 ZINC000329894788 389209160 /nfs/dbraw/zinc/20/91/60/389209160.db2.gz BQNPTIDCSHQNGV-TZMCWYRMSA-N 1 2 285.388 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@](C)(O)CC2)C1 ZINC000329894788 389209161 /nfs/dbraw/zinc/20/91/61/389209161.db2.gz BQNPTIDCSHQNGV-TZMCWYRMSA-N 1 2 285.388 0.468 20 30 CCEDLO Cn1ccnc1C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329913345 389210370 /nfs/dbraw/zinc/21/03/70/389210370.db2.gz XGWFAGKTTUIQHS-NSHDSACASA-N 1 2 288.355 0.883 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCC(=O)N1 ZINC000329927172 389211290 /nfs/dbraw/zinc/21/12/90/389211290.db2.gz WTPOFGKOBDNUCE-JTQLQIEISA-N 1 2 267.329 0.927 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1CCOCC1 ZINC000329953863 389214728 /nfs/dbraw/zinc/21/47/28/389214728.db2.gz JQRHGQPQFNGDTP-GXTWGEPZSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1CCOCC1 ZINC000329953863 389214732 /nfs/dbraw/zinc/21/47/32/389214732.db2.gz JQRHGQPQFNGDTP-GXTWGEPZSA-N 1 2 298.431 0.551 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CO ZINC000330284819 389220369 /nfs/dbraw/zinc/22/03/69/389220369.db2.gz YALUZPKURCYLJQ-GHMZBOCLSA-N 1 2 264.329 0.569 20 30 CCEDLO COC[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330410904 389225747 /nfs/dbraw/zinc/22/57/47/389225747.db2.gz JWBIQQGMFBQXDY-ZDUSSCGKSA-N 1 2 299.415 0.980 20 30 CCEDLO CC[C@H](C(=O)N[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330435042 389228803 /nfs/dbraw/zinc/22/88/03/389228803.db2.gz ABVMKZJBIVULCE-QJPTWQEYSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@H](C(=O)N[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330435042 389228806 /nfs/dbraw/zinc/22/88/06/389228806.db2.gz ABVMKZJBIVULCE-QJPTWQEYSA-N 1 2 253.346 0.904 20 30 CCEDLO Cc1ccc(O)c(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000330455121 389231758 /nfs/dbraw/zinc/23/17/58/389231758.db2.gz MTPZXFDSWWBIIU-GFCCVEGCSA-N 1 2 294.351 0.698 20 30 CCEDLO C=CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000330469988 389232896 /nfs/dbraw/zinc/23/28/96/389232896.db2.gz MAPIPKSXYXTGIC-GFCCVEGCSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000330469988 389232899 /nfs/dbraw/zinc/23/28/99/389232899.db2.gz MAPIPKSXYXTGIC-GFCCVEGCSA-N 1 2 288.413 0.528 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000366924755 389312392 /nfs/dbraw/zinc/31/23/92/389312392.db2.gz YKTJPDHGEHPRMH-CYBMUJFWSA-N 1 2 287.367 0.045 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156299047 389325687 /nfs/dbraw/zinc/32/56/87/389325687.db2.gz SQEKKGYVJFJTRK-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156299047 389325691 /nfs/dbraw/zinc/32/56/91/389325691.db2.gz SQEKKGYVJFJTRK-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156871395 389328048 /nfs/dbraw/zinc/32/80/48/389328048.db2.gz HZDQWVYWLIBBPG-ZIAGYGMSSA-N 1 2 284.400 0.883 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000156871395 389328052 /nfs/dbraw/zinc/32/80/52/389328052.db2.gz HZDQWVYWLIBBPG-ZIAGYGMSSA-N 1 2 284.400 0.883 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264613050 389338410 /nfs/dbraw/zinc/33/84/10/389338410.db2.gz ODTUUGOGDGGWSH-PSASIEDQSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264613050 389338412 /nfs/dbraw/zinc/33/84/12/389338412.db2.gz ODTUUGOGDGGWSH-PSASIEDQSA-N 1 2 266.263 0.676 20 30 CCEDLO CCOC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346863001 389340246 /nfs/dbraw/zinc/34/02/46/389340246.db2.gz GRQZQGLOEWJUGR-UHFFFAOYSA-N 1 2 293.367 0.824 20 30 CCEDLO COC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346861607 389340499 /nfs/dbraw/zinc/34/04/99/389340499.db2.gz AROLDLQKJHPTQL-UHFFFAOYSA-N 1 2 279.340 0.434 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000343755373 389271293 /nfs/dbraw/zinc/27/12/93/389271293.db2.gz XPFSQLZRDAZUNB-LBPRGKRZSA-N 1 2 296.396 0.052 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000343755373 389271301 /nfs/dbraw/zinc/27/13/01/389271301.db2.gz XPFSQLZRDAZUNB-LBPRGKRZSA-N 1 2 296.396 0.052 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CO)C2)c1 ZINC000147438531 389273426 /nfs/dbraw/zinc/27/34/26/389273426.db2.gz RWHHQARTMGCWMG-CYBMUJFWSA-N 1 2 294.376 0.646 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000147438531 389273430 /nfs/dbraw/zinc/27/34/30/389273430.db2.gz RWHHQARTMGCWMG-CYBMUJFWSA-N 1 2 294.376 0.646 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(CCC#N)CC1CC1 ZINC000349385924 389414529 /nfs/dbraw/zinc/41/45/29/389414529.db2.gz NAWUFZYDSXYHFV-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CCC#N)CC1CC1 ZINC000349385924 389414536 /nfs/dbraw/zinc/41/45/36/389414536.db2.gz NAWUFZYDSXYHFV-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO COC(=O)C1([N@H+](C)CC(=O)NCC#N)CCCC1 ZINC000159250695 389361853 /nfs/dbraw/zinc/36/18/53/389361853.db2.gz ZRALUYQYUGTHPI-UHFFFAOYSA-N 1 2 253.302 0.044 20 30 CCEDLO COC(=O)C1([N@@H+](C)CC(=O)NCC#N)CCCC1 ZINC000159250695 389361856 /nfs/dbraw/zinc/36/18/56/389361856.db2.gz ZRALUYQYUGTHPI-UHFFFAOYSA-N 1 2 253.302 0.044 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348098480 389365238 /nfs/dbraw/zinc/36/52/38/389365238.db2.gz TVCIPBWYGMCWEC-ZETCQYMHSA-N 1 2 267.289 0.040 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412073388 389474356 /nfs/dbraw/zinc/47/43/56/389474356.db2.gz LUBLSBWNQIOMNN-MJBXVCDLSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412073388 389474360 /nfs/dbraw/zinc/47/43/60/389474360.db2.gz LUBLSBWNQIOMNN-MJBXVCDLSA-N 1 2 284.400 0.881 20 30 CCEDLO C=CCN1C(=O)N=NC1SCC[N@@H+]1CCCOCC1 ZINC000412996014 389481947 /nfs/dbraw/zinc/48/19/47/389481947.db2.gz FAIXGOGDKKGXRC-UHFFFAOYSA-N 1 2 284.385 0.984 20 30 CCEDLO C=CCN1C(=O)N=NC1SCC[N@H+]1CCCOCC1 ZINC000412996014 389481951 /nfs/dbraw/zinc/48/19/51/389481951.db2.gz FAIXGOGDKKGXRC-UHFFFAOYSA-N 1 2 284.385 0.984 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000269624993 389424060 /nfs/dbraw/zinc/42/40/60/389424060.db2.gz USBPVLZJMGJKPV-CQSZACIVSA-N 1 2 285.307 0.926 20 30 CCEDLO N#Cc1ncn(CCNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000413300059 389492560 /nfs/dbraw/zinc/49/25/60/389492560.db2.gz VRAKEODUFWHKJE-UHFFFAOYSA-N 1 2 270.300 0.626 20 30 CCEDLO N#Cc1ncn(CCNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000413300059 389492564 /nfs/dbraw/zinc/49/25/64/389492564.db2.gz VRAKEODUFWHKJE-UHFFFAOYSA-N 1 2 270.300 0.626 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271438130 389442363 /nfs/dbraw/zinc/44/23/63/389442363.db2.gz BALOKQDLFALSAE-CYBMUJFWSA-N 1 2 291.376 0.992 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271438130 389442367 /nfs/dbraw/zinc/44/23/67/389442367.db2.gz BALOKQDLFALSAE-CYBMUJFWSA-N 1 2 291.376 0.992 20 30 CCEDLO CC#CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413448530 389511955 /nfs/dbraw/zinc/51/19/55/389511955.db2.gz AQRHBMLGQJZMCQ-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000373797632 389515840 /nfs/dbraw/zinc/51/58/40/389515840.db2.gz OTBGQTGIAJHFAR-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000373797632 389515841 /nfs/dbraw/zinc/51/58/41/389515841.db2.gz OTBGQTGIAJHFAR-OCCSQVGLSA-N 1 2 268.357 0.559 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374090976 389544835 /nfs/dbraw/zinc/54/48/35/389544835.db2.gz BZDMXPRKVMJYBY-RWMBFGLXSA-N 1 2 265.357 0.858 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374090976 389544838 /nfs/dbraw/zinc/54/48/38/389544838.db2.gz BZDMXPRKVMJYBY-RWMBFGLXSA-N 1 2 265.357 0.858 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374090977 389545127 /nfs/dbraw/zinc/54/51/27/389545127.db2.gz BZDMXPRKVMJYBY-UPJWGTAASA-N 1 2 265.357 0.858 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374090977 389545129 /nfs/dbraw/zinc/54/51/29/389545129.db2.gz BZDMXPRKVMJYBY-UPJWGTAASA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000281388387 389615570 /nfs/dbraw/zinc/61/55/70/389615570.db2.gz POYMQGPETYJVIK-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000281388387 389615578 /nfs/dbraw/zinc/61/55/78/389615578.db2.gz POYMQGPETYJVIK-CYBMUJFWSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425291145 389643481 /nfs/dbraw/zinc/64/34/81/389643481.db2.gz IDIMCSQXYLZTMJ-LBPRGKRZSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182790309 389716930 /nfs/dbraw/zinc/71/69/30/389716930.db2.gz QVHJURABJLFSAS-LBPRGKRZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416655823 389763805 /nfs/dbraw/zinc/76/38/05/389763805.db2.gz DOTYMIFAXJOXPH-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416655823 389763806 /nfs/dbraw/zinc/76/38/06/389763806.db2.gz DOTYMIFAXJOXPH-RYUDHWBXSA-N 1 2 276.402 0.279 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000396042163 389777300 /nfs/dbraw/zinc/77/73/00/389777300.db2.gz WHANFZIKAJUXOK-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000396042163 389777302 /nfs/dbraw/zinc/77/73/02/389777302.db2.gz WHANFZIKAJUXOK-ZLKJLUDKSA-N 1 2 289.335 0.577 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)C#N ZINC000376188369 389730857 /nfs/dbraw/zinc/73/08/57/389730857.db2.gz PQCSKQPYEWOQPQ-NEPJUHHUSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000416477280 389747429 /nfs/dbraw/zinc/74/74/29/389747429.db2.gz ROLXFWJGRJEGIN-LLVKDONJSA-N 1 2 289.401 0.271 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000416477280 389747431 /nfs/dbraw/zinc/74/74/31/389747431.db2.gz ROLXFWJGRJEGIN-LLVKDONJSA-N 1 2 289.401 0.271 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000352449389 389812604 /nfs/dbraw/zinc/81/26/04/389812604.db2.gz MMDGVPRWUVFULJ-LLVKDONJSA-N 1 2 296.346 0.038 20 30 CCEDLO C[C@H](CC#N)N(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000408204732 389834969 /nfs/dbraw/zinc/83/49/69/389834969.db2.gz OQYCLGQJCURJSF-NEPJUHHUSA-N 1 2 252.362 0.383 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)C[C@H]2C)C1=O ZINC000352698122 389836175 /nfs/dbraw/zinc/83/61/75/389836175.db2.gz LWRSUZISHVSAJR-OLZOCXBDSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)C[C@H]2C)C1=O ZINC000352698122 389836177 /nfs/dbraw/zinc/83/61/77/389836177.db2.gz LWRSUZISHVSAJR-OLZOCXBDSA-N 1 2 251.374 0.799 20 30 CCEDLO N#CCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447670433 389962537 /nfs/dbraw/zinc/96/25/37/389962537.db2.gz JCYNRHXQMOLECH-UHFFFAOYSA-N 1 2 272.308 0.382 20 30 CCEDLO N#CCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447670433 389962540 /nfs/dbraw/zinc/96/25/40/389962540.db2.gz JCYNRHXQMOLECH-UHFFFAOYSA-N 1 2 272.308 0.382 20 30 CCEDLO CCN1CCN(C(=O)[C@@H](C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000433471562 389915451 /nfs/dbraw/zinc/91/54/51/389915451.db2.gz OXZOPPNLOCOZMZ-QWRGUYRKSA-N 1 2 261.329 0.775 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cncc(C#N)n1 ZINC000420632497 390018795 /nfs/dbraw/zinc/01/87/95/390018795.db2.gz VOGQBFJZCSVCPK-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO CO[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1OC ZINC000487999300 390091327 /nfs/dbraw/zinc/09/13/27/390091327.db2.gz LYRUIKCJAHBFCL-HZSPNIEDSA-N 1 2 289.335 0.430 20 30 CCEDLO CO[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1OC ZINC000487999300 390091328 /nfs/dbraw/zinc/09/13/28/390091328.db2.gz LYRUIKCJAHBFCL-HZSPNIEDSA-N 1 2 289.335 0.430 20 30 CCEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCNC1=O ZINC000440959813 390047839 /nfs/dbraw/zinc/04/78/39/390047839.db2.gz LMBMLDBBWFPQKX-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCNC1=O ZINC000440959813 390047841 /nfs/dbraw/zinc/04/78/41/390047841.db2.gz LMBMLDBBWFPQKX-CYBMUJFWSA-N 1 2 286.335 0.707 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COC[C@H]1CCCO1 ZINC000579717498 390203056 /nfs/dbraw/zinc/20/30/56/390203056.db2.gz BKSZWAHVJHOJFW-YPMHNXCESA-N 1 2 269.345 0.142 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000579812345 390210266 /nfs/dbraw/zinc/21/02/66/390210266.db2.gz LTSJYTXJRUEMMD-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO Cn1cccc1C(=O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000580231030 390231627 /nfs/dbraw/zinc/23/16/27/390231627.db2.gz JZMBYNZVSMRBFO-UHFFFAOYSA-N 1 2 274.324 0.312 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2nc(C)[nH+]c(N(C)C)n2)C1=O ZINC000543771255 390293970 /nfs/dbraw/zinc/29/39/70/390293970.db2.gz HEJUBXDTIDKKJM-NSHDSACASA-N 1 2 290.371 0.469 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2nc(N(C)C)nc(C)[nH+]2)C1=O ZINC000543771255 390293972 /nfs/dbraw/zinc/29/39/72/390293972.db2.gz HEJUBXDTIDKKJM-NSHDSACASA-N 1 2 290.371 0.469 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C#N)cn1C ZINC000542481368 390261877 /nfs/dbraw/zinc/26/18/77/390261877.db2.gz MZWSWHOCIPIIKO-UHFFFAOYSA-N 1 2 257.297 0.603 20 30 CCEDLO C=CCn1cc(CNc2nc[nH+]c3c2OCCN3)nn1 ZINC000644878567 390336729 /nfs/dbraw/zinc/33/67/29/390336729.db2.gz GXRMDMCCUIOMQQ-UHFFFAOYSA-N 1 2 273.300 0.092 20 30 CCEDLO C=CCn1cc(CNc2[nH+]cnc3c2OCCN3)nn1 ZINC000644878567 390336731 /nfs/dbraw/zinc/33/67/31/390336731.db2.gz GXRMDMCCUIOMQQ-UHFFFAOYSA-N 1 2 273.300 0.092 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000645099167 390370565 /nfs/dbraw/zinc/37/05/65/390370565.db2.gz DZBWISGMGACHJC-GFCCVEGCSA-N 1 2 264.329 0.347 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000648335358 390358631 /nfs/dbraw/zinc/35/86/31/390358631.db2.gz RMIYVHRZGCIQKL-GFCCVEGCSA-N 1 2 298.350 0.868 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)nn1 ZINC000648759506 390402700 /nfs/dbraw/zinc/40/27/00/390402700.db2.gz GYKQLGXBGVRYBT-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)nn1 ZINC000648759506 390402704 /nfs/dbraw/zinc/40/27/04/390402704.db2.gz GYKQLGXBGVRYBT-UHFFFAOYSA-N 1 2 293.371 0.305 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)C(C)(C)C ZINC000519575524 390511751 /nfs/dbraw/zinc/51/17/51/390511751.db2.gz FJISYEKANPEOLE-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO CCCN1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000514792396 390470152 /nfs/dbraw/zinc/47/01/52/390470152.db2.gz JUHNKCQHSYHFEY-SMDDNHRTSA-N 1 2 280.372 0.205 20 30 CCEDLO CC1(C(N)=O)C[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000567609409 390706511 /nfs/dbraw/zinc/70/65/11/390706511.db2.gz HKUMCPVGSHUOQI-ZDUSSCGKSA-N 1 2 298.346 0.471 20 30 CCEDLO C=CCOC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000568047654 390712400 /nfs/dbraw/zinc/71/24/00/390712400.db2.gz RRBJBFPOEXUPHB-NWDGAFQWSA-N 1 2 295.339 0.695 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646576636 390696460 /nfs/dbraw/zinc/69/64/60/390696460.db2.gz YRUMFEWQNCLVOP-HUUCEWRRSA-N 1 2 290.363 0.551 20 30 CCEDLO C=C[C@@H](O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646576636 390696461 /nfs/dbraw/zinc/69/64/61/390696461.db2.gz YRUMFEWQNCLVOP-HUUCEWRRSA-N 1 2 290.363 0.551 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000532323638 390879371 /nfs/dbraw/zinc/87/93/71/390879371.db2.gz KVFHEDBWXSUWLH-UHFFFAOYSA-N 1 2 265.357 0.717 20 30 CCEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000578652663 390896695 /nfs/dbraw/zinc/89/66/95/390896695.db2.gz NUEZDWPCRWKJKI-JTQLQIEISA-N 1 2 257.297 0.822 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000578652663 390896696 /nfs/dbraw/zinc/89/66/96/390896696.db2.gz NUEZDWPCRWKJKI-JTQLQIEISA-N 1 2 257.297 0.822 20 30 CCEDLO C[N@H+](CC(N)=O)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263663227 131303817 /nfs/dbraw/zinc/30/38/17/131303817.db2.gz DWITWHBWNDGAGI-GFCCVEGCSA-N 1 2 272.308 0.081 20 30 CCEDLO C[N@@H+](CC(N)=O)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263663227 131303819 /nfs/dbraw/zinc/30/38/19/131303819.db2.gz DWITWHBWNDGAGI-GFCCVEGCSA-N 1 2 272.308 0.081 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000263967974 131370438 /nfs/dbraw/zinc/37/04/38/131370438.db2.gz HAOGVUIHIMGTQR-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000263967974 131370440 /nfs/dbraw/zinc/37/04/40/131370440.db2.gz HAOGVUIHIMGTQR-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO N#Cc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000269413173 132167080 /nfs/dbraw/zinc/16/70/80/132167080.db2.gz ZQHWPEDCLGJYGL-GFCCVEGCSA-N 1 2 262.313 0.058 20 30 CCEDLO CC[C@H](NC(=O)c1cnn(C)c1C#N)c1[nH]cc[nH+]1 ZINC000356755819 144030177 /nfs/dbraw/zinc/03/01/77/144030177.db2.gz HBURXPFNTBFDAW-VIFPVBQESA-N 1 2 258.285 0.896 20 30 CCEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc(C)n1 ZINC000565428299 397577346 /nfs/dbraw/zinc/57/73/46/397577346.db2.gz NIUJOWJHQCIVEW-ZDUSSCGKSA-N 1 2 261.329 0.667 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000553175446 286183459 /nfs/dbraw/zinc/18/34/59/286183459.db2.gz ITGZNMFRJJWEIA-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000553175446 286183460 /nfs/dbraw/zinc/18/34/60/286183460.db2.gz ITGZNMFRJJWEIA-GFCCVEGCSA-N 1 2 297.355 0.821 20 30 CCEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330276305 287191137 /nfs/dbraw/zinc/19/11/37/287191137.db2.gz MRVWEBSJTGVTBX-ZJUUUORDSA-N 1 2 277.328 0.773 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)nn1 ZINC000653654327 412330578 /nfs/dbraw/zinc/33/05/78/412330578.db2.gz LBITYXLKLBNIFV-TZMCWYRMSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)nn1 ZINC000653654327 412330583 /nfs/dbraw/zinc/33/05/83/412330583.db2.gz LBITYXLKLBNIFV-TZMCWYRMSA-N 1 2 280.372 0.826 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)nn1 ZINC000653661237 412332618 /nfs/dbraw/zinc/33/26/18/412332618.db2.gz HHZBRBOMFWRFLN-ZYHUDNBSSA-N 1 2 263.345 0.468 20 30 CCEDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCn1cnc(C#N)n1 ZINC000285268938 196237039 /nfs/dbraw/zinc/23/70/39/196237039.db2.gz YCVOAVRBBARIGT-NSHDSACASA-N 1 2 279.344 0.717 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000661276787 414589235 /nfs/dbraw/zinc/58/92/35/414589235.db2.gz KCXRKJNWZCPORT-NXEZZACHSA-N 1 2 252.318 0.810 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nn(C)cc1Br ZINC000662168423 414695297 /nfs/dbraw/zinc/69/52/97/414695297.db2.gz FYJVADFRWNEZIJ-SSDOTTSWSA-N 1 2 260.135 0.819 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000347037350 226022453 /nfs/dbraw/zinc/02/24/53/226022453.db2.gz TXIDLOFCCUMWRR-NSHDSACASA-N 1 2 291.273 0.548 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000347037350 226022457 /nfs/dbraw/zinc/02/24/57/226022457.db2.gz TXIDLOFCCUMWRR-NSHDSACASA-N 1 2 291.273 0.548 20 30 CCEDLO O=C(CN1CSCC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330308817 228121912 /nfs/dbraw/zinc/12/19/12/228121912.db2.gz MLMPFUIWQRSNSR-VIFPVBQESA-N 1 2 280.353 0.687 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000330326034 228148145 /nfs/dbraw/zinc/14/81/45/228148145.db2.gz JTPOPUIBIZVBRT-JHJVBQTASA-N 1 2 285.388 0.636 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000053149585 544440476 /nfs/dbraw/zinc/44/04/76/544440476.db2.gz NUTFNKYYXSMCOJ-UHFFFAOYSA-N 1 2 279.384 0.741 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000053149585 544440479 /nfs/dbraw/zinc/44/04/79/544440479.db2.gz NUTFNKYYXSMCOJ-UHFFFAOYSA-N 1 2 279.384 0.741 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCOC1 ZINC000352105690 228183741 /nfs/dbraw/zinc/18/37/41/228183741.db2.gz VIGHJTXFXQOESS-CQSZACIVSA-N 1 2 295.383 0.487 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCc2ccc(N)[nH+]c2)[nH]1 ZINC000619795458 544610024 /nfs/dbraw/zinc/61/00/24/544610024.db2.gz MDKBNPQHXBISSR-UHFFFAOYSA-N 1 2 271.284 0.013 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329021680 545020775 /nfs/dbraw/zinc/02/07/75/545020775.db2.gz IDCWVDYSFMMGEG-WDEREUQCSA-N 1 2 264.329 0.485 20 30 CCEDLO CCn1cc(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000329370981 545022243 /nfs/dbraw/zinc/02/22/43/545022243.db2.gz MAFWLRCBLVDKBX-STQMWFEESA-N 1 2 293.371 0.332 20 30 CCEDLO CCn1cc(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000329370981 545022245 /nfs/dbraw/zinc/02/22/45/545022245.db2.gz MAFWLRCBLVDKBX-STQMWFEESA-N 1 2 293.371 0.332 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000332708422 260019477 /nfs/dbraw/zinc/01/94/77/260019477.db2.gz OCZRYRQWDRFNNZ-ZIAGYGMSSA-N 1 2 294.399 0.011 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000332708422 260019479 /nfs/dbraw/zinc/01/94/79/260019479.db2.gz OCZRYRQWDRFNNZ-ZIAGYGMSSA-N 1 2 294.399 0.011 20 30 CCEDLO CS(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407987024 260150495 /nfs/dbraw/zinc/15/04/95/260150495.db2.gz BKSBKCFWMMIVBL-QWRGUYRKSA-N 1 2 257.359 0.256 20 30 CCEDLO CN(CCC#N)C(=O)CC[NH+]1CCN(CC(C)(C)O)CC1 ZINC000071380658 260162325 /nfs/dbraw/zinc/16/23/25/260162325.db2.gz JZVACSVTKUUDFY-UHFFFAOYSA-N 1 2 296.415 0.137 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000517757046 260189067 /nfs/dbraw/zinc/18/90/67/260189067.db2.gz MLDIYVVOYYXILS-VIFPVBQESA-N 1 2 264.285 0.113 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000517757046 260189069 /nfs/dbraw/zinc/18/90/69/260189069.db2.gz MLDIYVVOYYXILS-VIFPVBQESA-N 1 2 264.285 0.113 20 30 CCEDLO CN(C1CC[NH+](CC2(C#N)CC2)CC1)S(C)(=O)=O ZINC000408109789 260235780 /nfs/dbraw/zinc/23/57/80/260235780.db2.gz HYCHGDBLKBKMJS-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000408110853 260236070 /nfs/dbraw/zinc/23/60/70/260236070.db2.gz WAJRPVMZBFYXQF-AWEZNQCLSA-N 1 2 290.411 0.919 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H]1CCCCO1 ZINC000517804319 260308037 /nfs/dbraw/zinc/30/80/37/260308037.db2.gz SHCDPXCBDUZTOS-YPMHNXCESA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCNC(=O)c1ccc(NCC[NH+]2CCOCC2)nc1 ZINC000244257456 260801446 /nfs/dbraw/zinc/80/14/46/260801446.db2.gz WKQINUAMESQCPY-UHFFFAOYSA-N 1 2 290.367 0.742 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2CCO3)CC1 ZINC000490740919 261196657 /nfs/dbraw/zinc/19/66/57/261196657.db2.gz OXNGYCCVINGMOM-UHFFFAOYSA-N 1 2 299.374 0.811 20 30 CCEDLO C#CC[N@@H+](CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490839640 261224958 /nfs/dbraw/zinc/22/49/58/261224958.db2.gz IXDVYUVQELPGKY-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO C#CC[N@H+](CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490839640 261224959 /nfs/dbraw/zinc/22/49/59/261224959.db2.gz IXDVYUVQELPGKY-CQSZACIVSA-N 1 2 278.377 0.746 20 30 CCEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000249139990 261246785 /nfs/dbraw/zinc/24/67/85/261246785.db2.gz FMAOQFSQWFRZAL-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000249139990 261246787 /nfs/dbraw/zinc/24/67/87/261246787.db2.gz FMAOQFSQWFRZAL-RYUDHWBXSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1C ZINC000162023893 261266457 /nfs/dbraw/zinc/26/64/57/261266457.db2.gz CNXPOBLNNVTMML-LLVKDONJSA-N 1 2 263.345 0.612 20 30 CCEDLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCCC#N)CC1 ZINC000103493962 261283999 /nfs/dbraw/zinc/28/39/99/261283999.db2.gz QHSDPPLJABASIR-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCCC#N)CC1 ZINC000103493962 261284001 /nfs/dbraw/zinc/28/40/01/261284001.db2.gz QHSDPPLJABASIR-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCCC#N)CC1 ZINC000103493964 261284299 /nfs/dbraw/zinc/28/42/99/261284299.db2.gz QHSDPPLJABASIR-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCCC#N)CC1 ZINC000103493964 261284302 /nfs/dbraw/zinc/28/43/02/261284302.db2.gz QHSDPPLJABASIR-CQSZACIVSA-N 1 2 296.415 0.449 20 30 CCEDLO C#CC[NH+]1CCN(CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000092880279 261392451 /nfs/dbraw/zinc/39/24/51/261392451.db2.gz NQTBDAKOPMABSE-UHFFFAOYSA-N 1 2 287.338 0.990 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000364567047 262254479 /nfs/dbraw/zinc/25/44/79/262254479.db2.gz YSMUNDIQSBYICQ-CQSZACIVSA-N 1 2 260.337 0.335 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH+](CCOC)CC1 ZINC000119462127 262274477 /nfs/dbraw/zinc/27/44/77/262274477.db2.gz FMIWGTHFLULFKO-UHFFFAOYSA-N 1 2 262.375 0.156 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000273407589 263016469 /nfs/dbraw/zinc/01/64/69/263016469.db2.gz BMDPDYUEUCCZRM-UHFFFAOYSA-N 1 2 265.313 0.810 20 30 CCEDLO N#CC1(CS(=O)(=O)NCCNc2cccc[nH+]2)CC1 ZINC000274250044 263022386 /nfs/dbraw/zinc/02/23/86/263022386.db2.gz WXNDFWJOQGFJNM-UHFFFAOYSA-N 1 2 280.353 0.717 20 30 CCEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275482568 263033510 /nfs/dbraw/zinc/03/35/10/263033510.db2.gz NKKLFPXXPFFCME-VIFPVBQESA-N 1 2 281.312 0.693 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000279119097 263053094 /nfs/dbraw/zinc/05/30/94/263053094.db2.gz ADZZPTOAYIKRME-HNNXBMFYSA-N 1 2 295.383 0.388 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000281528227 263069907 /nfs/dbraw/zinc/06/99/07/263069907.db2.gz LZUUHWQUWQTCDY-MRXNPFEDSA-N 1 2 297.358 0.873 20 30 CCEDLO C#CCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000281528227 263069908 /nfs/dbraw/zinc/06/99/08/263069908.db2.gz LZUUHWQUWQTCDY-MRXNPFEDSA-N 1 2 297.358 0.873 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000283129928 263081559 /nfs/dbraw/zinc/08/15/59/263081559.db2.gz ZOKRSFPYDSBZDF-XNTDXEJSSA-N 1 2 262.313 0.358 20 30 CCEDLO NC(=[NH+]OCc1nnnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000284549908 263087327 /nfs/dbraw/zinc/08/73/27/263087327.db2.gz VXTHIZLKSXQCKB-NSHDSACASA-N 1 2 288.311 0.630 20 30 CCEDLO C=CC[N@@H+](C)CCN(CC)CCCS(C)(=O)=O ZINC000340203520 263092155 /nfs/dbraw/zinc/09/21/55/263092155.db2.gz QQNRKFQIADVFJR-UHFFFAOYSA-N 1 2 262.419 0.861 20 30 CCEDLO C=CC[N@H+](C)CCN(CC)CCCS(C)(=O)=O ZINC000340203520 263092156 /nfs/dbraw/zinc/09/21/56/263092156.db2.gz QQNRKFQIADVFJR-UHFFFAOYSA-N 1 2 262.419 0.861 20 30 CCEDLO Cn1nncc1CO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000289393295 263109955 /nfs/dbraw/zinc/10/99/55/263109955.db2.gz MUCDSUARWRBVAD-UHFFFAOYSA-N 1 2 297.265 0.961 20 30 CCEDLO C=C[C@H](CO)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000290730393 263118360 /nfs/dbraw/zinc/11/83/60/263118360.db2.gz AYMYXSBPSDEPQU-SECBINFHSA-N 1 2 282.348 0.055 20 30 CCEDLO C=C[C@H](CO)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000290730393 263118361 /nfs/dbraw/zinc/11/83/61/263118361.db2.gz AYMYXSBPSDEPQU-SECBINFHSA-N 1 2 282.348 0.055 20 30 CCEDLO C=C[C@H](CO)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000290730393 263118362 /nfs/dbraw/zinc/11/83/62/263118362.db2.gz AYMYXSBPSDEPQU-SECBINFHSA-N 1 2 282.348 0.055 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000293732117 263148148 /nfs/dbraw/zinc/14/81/48/263148148.db2.gz KRNTZLNFLBQRCH-ZDUSSCGKSA-N 1 2 275.356 0.951 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340656517 263255012 /nfs/dbraw/zinc/25/50/12/263255012.db2.gz SAFVRLLYMABIRI-LLVKDONJSA-N 1 2 264.329 0.422 20 30 CCEDLO C=CCN(C)CCS(=O)(=O)CC[N@H+](C)CC=C ZINC000121514997 263295287 /nfs/dbraw/zinc/29/52/87/263295287.db2.gz OJFPNQMHSJUATG-UHFFFAOYSA-N 1 2 260.403 0.637 20 30 CCEDLO C=CCN(C)CCS(=O)(=O)CC[N@@H+](C)CC=C ZINC000121514997 263295290 /nfs/dbraw/zinc/29/52/90/263295290.db2.gz OJFPNQMHSJUATG-UHFFFAOYSA-N 1 2 260.403 0.637 20 30 CCEDLO C=CC[C@@H](CO)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000340879572 263311202 /nfs/dbraw/zinc/31/12/02/263311202.db2.gz KUDHONDDWNMEOR-SNVBAGLBSA-N 1 2 251.334 0.264 20 30 CCEDLO C=CC[C@@H](CO)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000340879572 263311205 /nfs/dbraw/zinc/31/12/05/263311205.db2.gz KUDHONDDWNMEOR-SNVBAGLBSA-N 1 2 251.334 0.264 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000341142344 263324535 /nfs/dbraw/zinc/32/45/35/263324535.db2.gz XYQLOSHDXDGNMT-UHFFFAOYSA-N 1 2 290.367 0.870 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330643159 263985850 /nfs/dbraw/zinc/98/58/50/263985850.db2.gz RQHLYFRDHXYGCO-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330643159 263985852 /nfs/dbraw/zinc/98/58/52/263985852.db2.gz RQHLYFRDHXYGCO-FZMZJTMJSA-N 1 2 280.372 0.251 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000330790393 264054212 /nfs/dbraw/zinc/05/42/12/264054212.db2.gz ARPIDZDLKWMJBT-VXGBXAGGSA-N 1 2 286.420 0.143 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000330790393 264054214 /nfs/dbraw/zinc/05/42/14/264054214.db2.gz ARPIDZDLKWMJBT-VXGBXAGGSA-N 1 2 286.420 0.143 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CCCC#N)CC1 ZINC000330912502 264076224 /nfs/dbraw/zinc/07/62/24/264076224.db2.gz ZTVMYKCNTSKBQM-UHFFFAOYSA-N 1 2 275.356 0.758 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+](C)Cc1cnccc1C ZINC000331099703 264122175 /nfs/dbraw/zinc/12/21/75/264122175.db2.gz AXHYSLJZKMMUPQ-UHFFFAOYSA-N 1 2 250.302 0.482 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000331099703 264122176 /nfs/dbraw/zinc/12/21/76/264122176.db2.gz AXHYSLJZKMMUPQ-UHFFFAOYSA-N 1 2 250.302 0.482 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331164048 264144366 /nfs/dbraw/zinc/14/43/66/264144366.db2.gz HAPKHKJQDFCUKI-TUAOUCFPSA-N 1 2 299.371 0.305 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331164048 264144368 /nfs/dbraw/zinc/14/43/68/264144368.db2.gz HAPKHKJQDFCUKI-TUAOUCFPSA-N 1 2 299.371 0.305 20 30 CCEDLO CC[C@](C)(CCO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000331200717 264159898 /nfs/dbraw/zinc/15/98/98/264159898.db2.gz ALASOXFZHJGGTB-GXTWGEPZSA-N 1 2 286.420 0.287 20 30 CCEDLO CC[C@](C)(CCO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000331200717 264159901 /nfs/dbraw/zinc/15/99/01/264159901.db2.gz ALASOXFZHJGGTB-GXTWGEPZSA-N 1 2 286.420 0.287 20 30 CCEDLO COCC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(N)=O ZINC000160029908 264223559 /nfs/dbraw/zinc/22/35/59/264223559.db2.gz ZFNBKLPKYFQBRJ-GFCCVEGCSA-N 1 2 278.327 0.999 20 30 CCEDLO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(N)=O ZINC000160029908 264223560 /nfs/dbraw/zinc/22/35/60/264223560.db2.gz ZFNBKLPKYFQBRJ-GFCCVEGCSA-N 1 2 278.327 0.999 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000054985180 264347249 /nfs/dbraw/zinc/34/72/49/264347249.db2.gz VZVHRUKPIFKFIK-NSHDSACASA-N 1 2 251.330 0.032 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000054985180 264347252 /nfs/dbraw/zinc/34/72/52/264347252.db2.gz VZVHRUKPIFKFIK-NSHDSACASA-N 1 2 251.330 0.032 20 30 CCEDLO C#CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000191143145 264477740 /nfs/dbraw/zinc/47/77/40/264477740.db2.gz OVHHQJHDLPPRCT-UHFFFAOYSA-N 1 2 272.352 0.295 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC000281579281 264484520 /nfs/dbraw/zinc/48/45/20/264484520.db2.gz BJBNRAZGNUJUBN-LLVKDONJSA-N 1 2 262.313 0.128 20 30 CCEDLO C#C[C@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)C(C)C ZINC000281467435 264487696 /nfs/dbraw/zinc/48/76/96/264487696.db2.gz HVWHRFYTUKQBRR-JTQLQIEISA-N 1 2 275.308 0.803 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000182187803 264497106 /nfs/dbraw/zinc/49/71/06/264497106.db2.gz LIMZVXBBTGCNTG-UHFFFAOYSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000182187803 264497108 /nfs/dbraw/zinc/49/71/08/264497108.db2.gz LIMZVXBBTGCNTG-UHFFFAOYSA-N 1 2 253.346 0.231 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000347707761 265136711 /nfs/dbraw/zinc/13/67/11/265136711.db2.gz YLORSAXLFNHFCI-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000347707761 265136713 /nfs/dbraw/zinc/13/67/13/265136713.db2.gz YLORSAXLFNHFCI-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357807354 266369281 /nfs/dbraw/zinc/36/92/81/266369281.db2.gz LPEMOLZRZOISPY-NEPJUHHUSA-N 1 2 273.340 0.669 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357807354 266369285 /nfs/dbraw/zinc/36/92/85/266369285.db2.gz LPEMOLZRZOISPY-NEPJUHHUSA-N 1 2 273.340 0.669 20 30 CCEDLO Cc1[nH][nH]c(=O)c1CCNc1cc(C)[nH+]cc1C#N ZINC000519645070 266988493 /nfs/dbraw/zinc/98/84/93/266988493.db2.gz YPUGZXLBAOMZRW-NSHDSACASA-N 1 2 257.297 0.608 20 30 CCEDLO C[C@H](CC#N)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368625526 267191517 /nfs/dbraw/zinc/19/15/17/267191517.db2.gz ZCIXAYPDQMVQSN-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060980 267219383 /nfs/dbraw/zinc/21/93/83/267219383.db2.gz CWJFTZUMZQTMTF-LBPRGKRZSA-N 1 2 265.357 0.279 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060980 267219381 /nfs/dbraw/zinc/21/93/81/267219381.db2.gz CWJFTZUMZQTMTF-LBPRGKRZSA-N 1 2 265.357 0.279 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000369623693 267255712 /nfs/dbraw/zinc/25/57/12/267255712.db2.gz WSHQTGABDYLIMB-NSHDSACASA-N 1 2 278.356 0.942 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000369623693 267255715 /nfs/dbraw/zinc/25/57/15/267255715.db2.gz WSHQTGABDYLIMB-NSHDSACASA-N 1 2 278.356 0.942 20 30 CCEDLO Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c(C#N)c[nH+]1 ZINC000399582201 267299543 /nfs/dbraw/zinc/29/95/43/267299543.db2.gz NTCKNJDHESAJHE-SNVBAGLBSA-N 1 2 265.338 0.530 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccnc(C#N)n1 ZINC000519642477 267898204 /nfs/dbraw/zinc/89/82/04/267898204.db2.gz CSVWRNSHLKSTMY-NWDGAFQWSA-N 1 2 273.340 0.648 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccn1 ZINC000530291186 268178683 /nfs/dbraw/zinc/17/86/83/268178683.db2.gz VBBQPVSZQRUWQA-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000329940146 279153959 /nfs/dbraw/zinc/15/39/59/279153959.db2.gz UGNSBOQZFHVVJU-RYUDHWBXSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000329940146 279153962 /nfs/dbraw/zinc/15/39/62/279153962.db2.gz UGNSBOQZFHVVJU-RYUDHWBXSA-N 1 2 277.328 0.345 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(C)(C(N)=O)C1 ZINC000575284132 335090520 /nfs/dbraw/zinc/09/05/20/335090520.db2.gz BMCSXISCIFOKGD-NSHDSACASA-N 1 2 292.383 0.525 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3C#N)C[C@@H]21 ZINC000331769613 290092565 /nfs/dbraw/zinc/09/25/65/290092565.db2.gz MSWNVDMZDXGLTK-ZDEQEGDKSA-N 1 2 278.356 0.403 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3C#N)C[C@@H]21 ZINC000331769613 290092567 /nfs/dbraw/zinc/09/25/67/290092567.db2.gz MSWNVDMZDXGLTK-ZDEQEGDKSA-N 1 2 278.356 0.403 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000225434514 294202541 /nfs/dbraw/zinc/20/25/41/294202541.db2.gz BSGKVNDMVXKDLY-ZIAGYGMSSA-N 1 2 288.351 0.442 20 30 CCEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000225434514 294202546 /nfs/dbraw/zinc/20/25/46/294202546.db2.gz BSGKVNDMVXKDLY-ZIAGYGMSSA-N 1 2 288.351 0.442 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cscn2)CC1 ZINC000490779828 327658296 /nfs/dbraw/zinc/65/82/96/327658296.db2.gz AAOIQLJVDXMFND-UHFFFAOYSA-N 1 2 292.408 0.352 20 30 CCEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC#N ZINC000170777944 327659661 /nfs/dbraw/zinc/65/96/61/327659661.db2.gz NCLGHRWNIRIPOH-CYBMUJFWSA-N 1 2 287.367 0.574 20 30 CCEDLO C[C@H](CC(=O)N1CCN(C(=O)CC#N)CC1)n1cc[nH+]c1 ZINC000563333066 328055881 /nfs/dbraw/zinc/05/58/81/328055881.db2.gz DQLYXNCLMWOIMB-GFCCVEGCSA-N 1 2 289.339 0.419 20 30 CCEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC#CCO ZINC000563398440 328061987 /nfs/dbraw/zinc/06/19/87/328061987.db2.gz MPVULUCGQOJIJE-UHFFFAOYSA-N 1 2 283.331 0.586 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000160851725 328089176 /nfs/dbraw/zinc/08/91/76/328089176.db2.gz ILVBKXVJAXVLTC-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161103547 328131796 /nfs/dbraw/zinc/13/17/96/328131796.db2.gz AFDRJYRNIUUBHG-LLVKDONJSA-N 1 2 250.346 0.933 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161103547 328131798 /nfs/dbraw/zinc/13/17/98/328131798.db2.gz AFDRJYRNIUUBHG-LLVKDONJSA-N 1 2 250.346 0.933 20 30 CCEDLO NC(COc1ccccc1)=[NH+]OC[C@@H]1CCS(=O)(=O)C1 ZINC000278551963 328227147 /nfs/dbraw/zinc/22/71/47/328227147.db2.gz BOHLSGHMLXTQQM-NSHDSACASA-N 1 2 298.364 0.789 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000535033776 328377801 /nfs/dbraw/zinc/37/78/01/328377801.db2.gz BLSGEYSKZVWRBV-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000535033776 328377803 /nfs/dbraw/zinc/37/78/03/328377803.db2.gz BLSGEYSKZVWRBV-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000076185819 328485841 /nfs/dbraw/zinc/48/58/41/328485841.db2.gz IOIPAFNTQPPVGF-JSGCOSHPSA-N 1 2 278.352 0.259 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(cn1)OCCO2 ZINC000583997414 326838224 /nfs/dbraw/zinc/83/82/24/326838224.db2.gz GZDLWKIIWSOGHJ-AWEZNQCLSA-N 1 2 290.323 0.426 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@H]1CCOC1 ZINC000558898695 327130464 /nfs/dbraw/zinc/13/04/64/327130464.db2.gz LUUNDHOVPHNCIE-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncc(F)cc1F ZINC000564459122 327141412 /nfs/dbraw/zinc/14/14/12/327141412.db2.gz YXRVPUHGLYQNPP-GFCCVEGCSA-N 1 2 268.267 0.933 20 30 CCEDLO COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@H](C)C#N ZINC000559303757 327157308 /nfs/dbraw/zinc/15/73/08/327157308.db2.gz WQYBOHZKQKRXPX-MRVPVSSYSA-N 1 2 250.302 0.764 20 30 CCEDLO CCn1cc[nH+]c1CNC(=O)CNc1ccc(C#N)cn1 ZINC000573575344 327198921 /nfs/dbraw/zinc/19/89/21/327198921.db2.gz AAWJNRAWJJDCBN-UHFFFAOYSA-N 1 2 284.323 0.320 20 30 CCEDLO Cc1nn(C)cc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577283135 327257116 /nfs/dbraw/zinc/25/71/16/327257116.db2.gz LZNURARQMVAOAZ-ZDUSSCGKSA-N 1 2 263.345 0.231 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000560461759 327310634 /nfs/dbraw/zinc/31/06/34/327310634.db2.gz FZKRVLDSTOCEAY-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000560461759 327310636 /nfs/dbraw/zinc/31/06/36/327310636.db2.gz FZKRVLDSTOCEAY-YPMHNXCESA-N 1 2 253.346 0.763 20 30 CCEDLO CNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000124733380 327387307 /nfs/dbraw/zinc/38/73/07/327387307.db2.gz DXUVLYMFAQRFRX-AWEZNQCLSA-N 1 2 272.352 0.615 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccnc(C#N)n1 ZINC000582192142 328624229 /nfs/dbraw/zinc/62/42/29/328624229.db2.gz ZMLJNFLWQCROTJ-NSHDSACASA-N 1 2 261.329 0.505 20 30 CCEDLO COC(=O)CNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000177031050 329178586 /nfs/dbraw/zinc/17/85/86/329178586.db2.gz RVIJRDZEHOETMS-UHFFFAOYSA-N 1 2 269.345 0.537 20 30 CCEDLO COC(=O)CNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000177031050 329178588 /nfs/dbraw/zinc/17/85/88/329178588.db2.gz RVIJRDZEHOETMS-UHFFFAOYSA-N 1 2 269.345 0.537 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnn1CC(F)F ZINC000582787914 329202375 /nfs/dbraw/zinc/20/23/75/329202375.db2.gz ATGCEFZPTWZXEJ-GFCCVEGCSA-N 1 2 285.298 0.722 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000185161573 329267046 /nfs/dbraw/zinc/26/70/46/329267046.db2.gz PWGHNMNJOHHNDQ-LSDHHAIUSA-N 1 2 293.367 0.286 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000185161573 329267048 /nfs/dbraw/zinc/26/70/48/329267048.db2.gz PWGHNMNJOHHNDQ-LSDHHAIUSA-N 1 2 293.367 0.286 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186699561 329347620 /nfs/dbraw/zinc/34/76/20/329347620.db2.gz RRZZGMUJXHUYCW-OAHLLOKOSA-N 1 2 271.320 0.758 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186699561 329347622 /nfs/dbraw/zinc/34/76/22/329347622.db2.gz RRZZGMUJXHUYCW-OAHLLOKOSA-N 1 2 271.320 0.758 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188980007 329373274 /nfs/dbraw/zinc/37/32/74/329373274.db2.gz UTKBGABOPWVJHO-UHFFFAOYSA-N 1 2 292.339 0.247 20 30 CCEDLO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(=O)OC ZINC000057906449 329678135 /nfs/dbraw/zinc/67/81/35/329678135.db2.gz RVEJCIKBPDFWRX-SMDDNHRTSA-N 1 2 295.383 0.926 20 30 CCEDLO C#CCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000193809861 329683590 /nfs/dbraw/zinc/68/35/90/329683590.db2.gz RGPBMPQHFVJONP-UHFFFAOYSA-N 1 2 295.383 0.189 20 30 CCEDLO CC#CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000277335063 330115942 /nfs/dbraw/zinc/11/59/42/330115942.db2.gz GRZLRKQMDXSKJK-UHFFFAOYSA-N 1 2 261.325 0.959 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501376 330318099 /nfs/dbraw/zinc/31/80/99/330318099.db2.gz FQDSKSKPLFEDJW-GHMZBOCLSA-N 1 2 291.355 0.744 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000528501376 330318100 /nfs/dbraw/zinc/31/81/00/330318100.db2.gz FQDSKSKPLFEDJW-GHMZBOCLSA-N 1 2 291.355 0.744 20 30 CCEDLO C[C@H]1CN(C(=O)C[NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000195314366 331168902 /nfs/dbraw/zinc/16/89/02/331168902.db2.gz PIUGDTCWWSPLFO-RYUDHWBXSA-N 1 2 265.357 0.858 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000456770326 331202197 /nfs/dbraw/zinc/20/21/97/331202197.db2.gz RVPHHPZJHXHCEE-LSDHHAIUSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000456770326 331202198 /nfs/dbraw/zinc/20/21/98/331202198.db2.gz RVPHHPZJHXHCEE-LSDHHAIUSA-N 1 2 296.411 0.931 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000457746724 331233121 /nfs/dbraw/zinc/23/31/21/331233121.db2.gz LFCHNMUUSXNXFP-LBPRGKRZSA-N 1 2 253.346 0.372 20 30 CCEDLO C=CC(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000458984844 331263984 /nfs/dbraw/zinc/26/39/84/331263984.db2.gz HAPBGYKRWCVUNY-ZDUSSCGKSA-N 1 2 299.415 0.533 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000490711979 332106860 /nfs/dbraw/zinc/10/68/60/332106860.db2.gz BXLULWIBDYHALY-OLZOCXBDSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000490711979 332106862 /nfs/dbraw/zinc/10/68/62/332106862.db2.gz BXLULWIBDYHALY-OLZOCXBDSA-N 1 2 289.383 0.226 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000490715551 332108018 /nfs/dbraw/zinc/10/80/18/332108018.db2.gz XFGKFCCZONCQQL-GJZGRUSLSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CC[N@@H+](CCC1(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490717539 332108184 /nfs/dbraw/zinc/10/81/84/332108184.db2.gz DHAFYXYEOSPGEG-NSHDSACASA-N 1 2 257.355 0.024 20 30 CCEDLO C#CC[N@H+](CCC1(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490717539 332108185 /nfs/dbraw/zinc/10/81/85/332108185.db2.gz DHAFYXYEOSPGEG-NSHDSACASA-N 1 2 257.355 0.024 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccoc2C)CC1 ZINC000490741364 332111739 /nfs/dbraw/zinc/11/17/39/332111739.db2.gz QZPWHCSFQUOFTK-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccoc2C)CC1 ZINC000490741364 332111740 /nfs/dbraw/zinc/11/17/40/332111740.db2.gz QZPWHCSFQUOFTK-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C\C)CC)CC1 ZINC000490742072 332112025 /nfs/dbraw/zinc/11/20/25/332112025.db2.gz VAVHZWDAZBEYCF-RZNTYIFUSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C\C)CC)CC1 ZINC000490742072 332112026 /nfs/dbraw/zinc/11/20/26/332112026.db2.gz VAVHZWDAZBEYCF-RZNTYIFUSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)[C@H](C)O)CC1 ZINC000490799999 332116287 /nfs/dbraw/zinc/11/62/87/332116287.db2.gz KRHXMWMHJDOWHP-NWDGAFQWSA-N 1 2 270.398 0.266 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000490891993 332124640 /nfs/dbraw/zinc/12/46/40/332124640.db2.gz IVUUKFOYIWRANB-CQSZACIVSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000490891993 332124642 /nfs/dbraw/zinc/12/46/42/332124642.db2.gz IVUUKFOYIWRANB-CQSZACIVSA-N 1 2 267.348 0.198 20 30 CCEDLO C#CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000490924511 332129928 /nfs/dbraw/zinc/12/99/28/332129928.db2.gz QGMJMQYAKDZQOE-UHFFFAOYSA-N 1 2 258.325 0.855 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C1CC1 ZINC000491545299 332234818 /nfs/dbraw/zinc/23/48/18/332234818.db2.gz PRGSJFOJYYNVAX-CQSZACIVSA-N 1 2 250.342 0.814 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C1CC1 ZINC000491545299 332234820 /nfs/dbraw/zinc/23/48/20/332234820.db2.gz PRGSJFOJYYNVAX-CQSZACIVSA-N 1 2 250.342 0.814 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000491624202 332248467 /nfs/dbraw/zinc/24/84/67/332248467.db2.gz JOXNWAVPTSDHGN-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000491624202 332248468 /nfs/dbraw/zinc/24/84/68/332248468.db2.gz JOXNWAVPTSDHGN-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491624845 332249083 /nfs/dbraw/zinc/24/90/83/332249083.db2.gz KYGPFPPOPQXTEN-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000491690338 332287353 /nfs/dbraw/zinc/28/73/53/332287353.db2.gz BASFHIRGFRFQDX-QWHCGFSZSA-N 1 2 265.309 0.491 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000491690338 332287354 /nfs/dbraw/zinc/28/73/54/332287354.db2.gz BASFHIRGFRFQDX-QWHCGFSZSA-N 1 2 265.309 0.491 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000491697557 332292919 /nfs/dbraw/zinc/29/29/19/332292919.db2.gz BEJJWXDXMADGHH-LLVKDONJSA-N 1 2 263.297 0.068 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc(C)on1 ZINC000491697557 332292920 /nfs/dbraw/zinc/29/29/20/332292920.db2.gz BEJJWXDXMADGHH-LLVKDONJSA-N 1 2 263.297 0.068 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000491730774 332312483 /nfs/dbraw/zinc/31/24/83/332312483.db2.gz HXRMZBNEXZMYPE-JTQLQIEISA-N 1 2 286.253 0.942 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000491730774 332312484 /nfs/dbraw/zinc/31/24/84/332312484.db2.gz HXRMZBNEXZMYPE-JTQLQIEISA-N 1 2 286.253 0.942 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cc(-c3ccncn3)cn2)CC1 ZINC000491761979 332331997 /nfs/dbraw/zinc/33/19/97/332331997.db2.gz YNXPRCAKROEJHC-UHFFFAOYSA-N 1 2 282.351 0.548 20 30 CCEDLO COc1ccc(C[N@H+](C)CC(=O)NCC#N)cc1O ZINC000174631762 333004427 /nfs/dbraw/zinc/00/44/27/333004427.db2.gz CLRRFSWIBDCNIE-UHFFFAOYSA-N 1 2 263.297 0.472 20 30 CCEDLO COc1ccc(C[N@@H+](C)CC(=O)NCC#N)cc1O ZINC000174631762 333004428 /nfs/dbraw/zinc/00/44/28/333004428.db2.gz CLRRFSWIBDCNIE-UHFFFAOYSA-N 1 2 263.297 0.472 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000517216852 333094911 /nfs/dbraw/zinc/09/49/11/333094911.db2.gz BTJJKADLHFCXBM-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000517216852 333094912 /nfs/dbraw/zinc/09/49/12/333094912.db2.gz BTJJKADLHFCXBM-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523093506 333308145 /nfs/dbraw/zinc/30/81/45/333308145.db2.gz ZUCCASBDNHHRPY-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523093506 333308146 /nfs/dbraw/zinc/30/81/46/333308146.db2.gz ZUCCASBDNHHRPY-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C#CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000127199415 333622900 /nfs/dbraw/zinc/62/29/00/333622900.db2.gz NBIWDHJXVALHED-UHFFFAOYSA-N 1 2 258.325 0.542 20 30 CCEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000133934228 334072798 /nfs/dbraw/zinc/07/27/98/334072798.db2.gz KPNNIIJGWWOJPD-AWEZNQCLSA-N 1 2 280.372 0.381 20 30 CCEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000133934228 334072799 /nfs/dbraw/zinc/07/27/99/334072799.db2.gz KPNNIIJGWWOJPD-AWEZNQCLSA-N 1 2 280.372 0.381 20 30 CCEDLO C[C@@H](C(=O)N[C@]1(C#N)CCOC1)[NH+]1CCSCC1 ZINC000547811377 334120783 /nfs/dbraw/zinc/12/07/83/334120783.db2.gz JZDYJKNHBPCGNL-JQWIXIFHSA-N 1 2 269.370 0.223 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC(F)F)C(C)C)CC1 ZINC000135399055 334128737 /nfs/dbraw/zinc/12/87/37/334128737.db2.gz PQNZIDMSLQASSN-UHFFFAOYSA-N 1 2 287.354 0.739 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249583413 334337252 /nfs/dbraw/zinc/33/72/52/334337252.db2.gz SAVSVEBCJWRQLZ-GJZGRUSLSA-N 1 2 297.443 0.798 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249583413 334337254 /nfs/dbraw/zinc/33/72/54/334337254.db2.gz SAVSVEBCJWRQLZ-GJZGRUSLSA-N 1 2 297.443 0.798 20 30 CCEDLO C[C@@H](C(=O)NCC1(C#N)CC1)[NH+]1CCSCC1 ZINC000564523714 334510738 /nfs/dbraw/zinc/51/07/38/334510738.db2.gz UKDQLKRMVBPBGP-JTQLQIEISA-N 1 2 253.371 0.844 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000565574767 334575300 /nfs/dbraw/zinc/57/53/00/334575300.db2.gz PMOKYUBPPCTORS-AWEZNQCLSA-N 1 2 299.338 0.236 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1CCCCCC1=O ZINC000572846147 334883803 /nfs/dbraw/zinc/88/38/03/334883803.db2.gz PRMNKFAYYOOUDB-CQSZACIVSA-N 1 2 280.372 0.349 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CC1 ZINC000580687878 335323499 /nfs/dbraw/zinc/32/34/99/335323499.db2.gz LGOTXWGBSNOODD-NSHDSACASA-N 1 2 266.345 0.310 20 30 CCEDLO Cc1cc(NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)c[nH+]1 ZINC000425246910 534033756 /nfs/dbraw/zinc/03/37/56/534033756.db2.gz MSCPNYRDSZRANT-JSGCOSHPSA-N 1 2 288.351 0.731 20 30 CCEDLO Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1C#N ZINC000367260998 534267065 /nfs/dbraw/zinc/26/70/65/534267065.db2.gz VCLJJVMRURVINQ-OAHLLOKOSA-N 1 2 284.363 0.596 20 30 CCEDLO C=CCCOCCNc1[nH+]cnc2c1OCCN2 ZINC000665709113 545104568 /nfs/dbraw/zinc/10/45/68/545104568.db2.gz MQJOYPPCOKKDRZ-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO C=CCCOCCNc1nc[nH+]c2c1OCCN2 ZINC000665709113 545104569 /nfs/dbraw/zinc/10/45/69/545104569.db2.gz MQJOYPPCOKKDRZ-UHFFFAOYSA-N 1 2 250.302 0.398 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2nc[nH+]c3c2OCCN3)C1=O ZINC000665716494 545104946 /nfs/dbraw/zinc/10/49/46/545104946.db2.gz GLJPYAJVSSQMLF-SNVBAGLBSA-N 1 2 289.339 0.504 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2[nH+]cnc3c2OCCN3)C1=O ZINC000665716494 545104947 /nfs/dbraw/zinc/10/49/47/545104947.db2.gz GLJPYAJVSSQMLF-SNVBAGLBSA-N 1 2 289.339 0.504 20 30 CCEDLO C=C(C)C[N@@H+](CC(=O)NC)Cc1ccc(CO)o1 ZINC000352813794 526509670 /nfs/dbraw/zinc/50/96/70/526509670.db2.gz FPIDRGBMLFOBLJ-UHFFFAOYSA-N 1 2 252.314 0.896 20 30 CCEDLO C=C(C)C[N@H+](CC(=O)NC)Cc1ccc(CO)o1 ZINC000352813794 526509674 /nfs/dbraw/zinc/50/96/74/526509674.db2.gz FPIDRGBMLFOBLJ-UHFFFAOYSA-N 1 2 252.314 0.896 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000344952912 526540507 /nfs/dbraw/zinc/54/05/07/526540507.db2.gz SVTOAFBBXVJEBE-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276218 526611217 /nfs/dbraw/zinc/61/12/17/526611217.db2.gz FHHLCBSNZIBVFH-SRVKXCTJSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276218 526611219 /nfs/dbraw/zinc/61/12/19/526611219.db2.gz FHHLCBSNZIBVFH-SRVKXCTJSA-N 1 2 283.372 0.886 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000668169664 545166078 /nfs/dbraw/zinc/16/60/78/545166078.db2.gz XCIIMOLYHIXDCF-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000668169664 545166079 /nfs/dbraw/zinc/16/60/79/545166079.db2.gz XCIIMOLYHIXDCF-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000668319353 545172944 /nfs/dbraw/zinc/17/29/44/545172944.db2.gz GLNJUZPMHKBLCZ-GVXVVHGQSA-N 1 2 256.346 0.149 20 30 CCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376720 545175588 /nfs/dbraw/zinc/17/55/88/545175588.db2.gz MCAKPBRHYULQQX-CYBMUJFWSA-N 1 2 290.367 0.814 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000331583386 528373565 /nfs/dbraw/zinc/37/35/65/528373565.db2.gz TVKROIISEMAYOY-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000331583386 528373569 /nfs/dbraw/zinc/37/35/69/528373569.db2.gz TVKROIISEMAYOY-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO C=CCCOCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672209600 545264958 /nfs/dbraw/zinc/26/49/58/545264958.db2.gz QWXFOEUXOITGBJ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(C)C#N ZINC000355887909 529127950 /nfs/dbraw/zinc/12/79/50/529127950.db2.gz YEQJGOTYPQGSAM-UHFFFAOYSA-N 1 2 268.361 0.109 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)C#N ZINC000355887909 529127952 /nfs/dbraw/zinc/12/79/52/529127952.db2.gz YEQJGOTYPQGSAM-UHFFFAOYSA-N 1 2 268.361 0.109 20 30 CCEDLO CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000330089609 529265934 /nfs/dbraw/zinc/26/59/34/529265934.db2.gz OWQKVXKWEAJNJV-GFCCVEGCSA-N 1 2 294.355 0.936 20 30 CCEDLO CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)N1CCOCC1 ZINC000330089609 529265939 /nfs/dbraw/zinc/26/59/39/529265939.db2.gz OWQKVXKWEAJNJV-GFCCVEGCSA-N 1 2 294.355 0.936 20 30 CCEDLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1nc(C#N)cs1 ZINC000356429067 535183067 /nfs/dbraw/zinc/18/30/67/535183067.db2.gz AFKHJXKAKCBOAL-UHFFFAOYSA-N 1 2 273.383 0.928 20 30 CCEDLO COCC#CC[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677818546 545373332 /nfs/dbraw/zinc/37/33/32/545373332.db2.gz BTQYGSVLEFYXLD-CYBMUJFWSA-N 1 2 289.397 0.162 20 30 CCEDLO COCC#CC[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000677818546 545373333 /nfs/dbraw/zinc/37/33/33/545373333.db2.gz BTQYGSVLEFYXLD-CYBMUJFWSA-N 1 2 289.397 0.162 20 30 CCEDLO COC(C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1)OC ZINC000788276779 581103267 /nfs/dbraw/zinc/10/32/67/581103267.db2.gz VTBCANSEYYYPLZ-UHFFFAOYSA-N 1 2 293.371 0.341 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000777815585 581135208 /nfs/dbraw/zinc/13/52/08/581135208.db2.gz AOQSHLCFXRAYCW-UHFFFAOYSA-N 1 2 289.401 0.178 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC=CO1 ZINC000777854316 581136877 /nfs/dbraw/zinc/13/68/77/581136877.db2.gz FVXDGXXFHLJQBR-CQSZACIVSA-N 1 2 293.367 0.754 20 30 CCEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000790302538 581183362 /nfs/dbraw/zinc/18/33/62/581183362.db2.gz UMSNESWQBIYHAS-UHFFFAOYSA-N 1 2 293.352 0.904 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433448 581185250 /nfs/dbraw/zinc/18/52/50/581185250.db2.gz YXOAEXHOYFEZAT-AWEZNQCLSA-N 1 2 299.330 0.435 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433448 581185253 /nfs/dbraw/zinc/18/52/53/581185253.db2.gz YXOAEXHOYFEZAT-AWEZNQCLSA-N 1 2 299.330 0.435 20 30 CCEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1 ZINC000779562472 581191687 /nfs/dbraw/zinc/19/16/87/581191687.db2.gz JRNJTPGKLKLCBC-ZDUSSCGKSA-N 1 2 298.302 0.726 20 30 CCEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000779793200 581205441 /nfs/dbraw/zinc/20/54/41/581205441.db2.gz XSSOWLRDJPSISP-ZETCQYMHSA-N 1 2 263.257 0.572 20 30 CCEDLO C#CCCCS(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000791423117 581220976 /nfs/dbraw/zinc/22/09/76/581220976.db2.gz RHENRGMADHPNDE-UHFFFAOYSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CCCCS(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000791423117 581220980 /nfs/dbraw/zinc/22/09/80/581220980.db2.gz RHENRGMADHPNDE-UHFFFAOYSA-N 1 2 288.413 0.430 20 30 CCEDLO COCCO[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000780490388 581230635 /nfs/dbraw/zinc/23/06/35/581230635.db2.gz VWGLCRDNTLTDHA-CYBMUJFWSA-N 1 2 291.351 0.723 20 30 CCEDLO COCCO[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000780490388 581230636 /nfs/dbraw/zinc/23/06/36/581230636.db2.gz VWGLCRDNTLTDHA-CYBMUJFWSA-N 1 2 291.351 0.723 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ncccc2F)CC1 ZINC000792170841 581250694 /nfs/dbraw/zinc/25/06/94/581250694.db2.gz HADAASHWGIPGIN-UHFFFAOYSA-N 1 2 261.300 0.541 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000793857943 581316275 /nfs/dbraw/zinc/31/62/75/581316275.db2.gz XDZNYFPBHXRGOW-CHWSQXEVSA-N 1 2 261.325 0.650 20 30 CCEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000784850578 581395954 /nfs/dbraw/zinc/39/59/54/581395954.db2.gz ZNFQHFWKROJOQK-VIFPVBQESA-N 1 2 270.292 0.719 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000786231251 581434882 /nfs/dbraw/zinc/43/48/82/581434882.db2.gz FCFFCPMQOCXOFL-DGCLKSJQSA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CCO1 ZINC000786231251 581434885 /nfs/dbraw/zinc/43/48/85/581434885.db2.gz FCFFCPMQOCXOFL-DGCLKSJQSA-N 1 2 284.335 0.354 20 30 CCEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCCC#N ZINC000786442268 581441163 /nfs/dbraw/zinc/44/11/63/581441163.db2.gz RIHGURNNEZYSSE-GVXVVHGQSA-N 1 2 279.340 0.290 20 30 CCEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NCCC#N ZINC000786442268 581441165 /nfs/dbraw/zinc/44/11/65/581441165.db2.gz RIHGURNNEZYSSE-GVXVVHGQSA-N 1 2 279.340 0.290 20 30 CCEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=NC1=NC(=O)C(=O)N1 ZINC000765591485 581527729 /nfs/dbraw/zinc/52/77/29/581527729.db2.gz NWBMYOWVAWEFQK-JTQLQIEISA-N 1 2 299.334 0.096 20 30 CCEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=NC1=NC(=O)C(=O)N1 ZINC000765591485 581527731 /nfs/dbraw/zinc/52/77/31/581527731.db2.gz NWBMYOWVAWEFQK-JTQLQIEISA-N 1 2 299.334 0.096 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000753908025 581564716 /nfs/dbraw/zinc/56/47/16/581564716.db2.gz QURYECGCQNZADY-UHFFFAOYSA-N 1 2 253.305 0.836 20 30 CCEDLO COCCOCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936530 581565356 /nfs/dbraw/zinc/56/53/56/581565356.db2.gz VSTYQJGIZWGDFF-RYUDHWBXSA-N 1 2 268.361 0.885 20 30 CCEDLO C#CCOCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767583211 581619219 /nfs/dbraw/zinc/61/92/19/581619219.db2.gz KLOZOLDQJRWLJL-BETUJISGSA-N 1 2 267.325 0.433 20 30 CCEDLO C#CCOCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767583211 581619221 /nfs/dbraw/zinc/61/92/21/581619221.db2.gz KLOZOLDQJRWLJL-BETUJISGSA-N 1 2 267.325 0.433 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(C(=O)NC3CC3)CCC2)CC1 ZINC000730035192 581630477 /nfs/dbraw/zinc/63/04/77/581630477.db2.gz SDZNNZGFXPDFPB-UHFFFAOYSA-N 1 2 289.379 0.213 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CCOC)c1 ZINC000730105510 581646356 /nfs/dbraw/zinc/64/63/56/581646356.db2.gz KASAQAZNXAQPEK-ZDUSSCGKSA-N 1 2 276.340 0.566 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CCOC)c1 ZINC000730105510 581646361 /nfs/dbraw/zinc/64/63/61/581646361.db2.gz KASAQAZNXAQPEK-ZDUSSCGKSA-N 1 2 276.340 0.566 20 30 CCEDLO CCOCCO[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758237368 581730643 /nfs/dbraw/zinc/73/06/43/581730643.db2.gz GEMZXCPEVKYNGF-AWEZNQCLSA-N 1 2 291.351 0.805 20 30 CCEDLO CCOCCO[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758237368 581730647 /nfs/dbraw/zinc/73/06/47/581730647.db2.gz GEMZXCPEVKYNGF-AWEZNQCLSA-N 1 2 291.351 0.805 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC000770490314 581747102 /nfs/dbraw/zinc/74/71/02/581747102.db2.gz KOVUNSVJRLNMNZ-OAHLLOKOSA-N 1 2 277.368 0.213 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000731213143 581757544 /nfs/dbraw/zinc/75/75/44/581757544.db2.gz KELDJAKBPUUEIB-AWEZNQCLSA-N 1 2 290.319 0.963 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000731213143 581757546 /nfs/dbraw/zinc/75/75/46/581757546.db2.gz KELDJAKBPUUEIB-AWEZNQCLSA-N 1 2 290.319 0.963 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000758763441 581768670 /nfs/dbraw/zinc/76/86/70/581768670.db2.gz IWYVOKJRYABRRL-UHFFFAOYSA-N 1 2 253.277 0.941 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC000731687267 581775283 /nfs/dbraw/zinc/77/52/83/581775283.db2.gz KDUQVWAQFHMIOS-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000771447321 581804227 /nfs/dbraw/zinc/80/42/27/581804227.db2.gz RHCORHWPKSVOFW-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000771447321 581804228 /nfs/dbraw/zinc/80/42/28/581804228.db2.gz RHCORHWPKSVOFW-LBPRGKRZSA-N 1 2 297.355 0.012 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC)CC2)nc1 ZINC000732118325 581804413 /nfs/dbraw/zinc/80/44/13/581804413.db2.gz CPQXRRBFWGCLKJ-UHFFFAOYSA-N 1 2 287.363 0.857 20 30 CCEDLO CC(=[NH+]OCC(N)=O)c1c(F)cccc1N1CCOCC1 ZINC000771578842 581810630 /nfs/dbraw/zinc/81/06/30/581810630.db2.gz TUFHPWLKIANBPT-UHFFFAOYSA-N 1 2 295.314 0.888 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)[C@H](C)CC ZINC000743483135 581814073 /nfs/dbraw/zinc/81/40/73/581814073.db2.gz XQUFTFLSZCFQOI-VNHYZAJKSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)[C@H](C)CC ZINC000743483135 581814075 /nfs/dbraw/zinc/81/40/75/581814075.db2.gz XQUFTFLSZCFQOI-VNHYZAJKSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C(C)C ZINC000743714134 581823734 /nfs/dbraw/zinc/82/37/34/581823734.db2.gz OQDKWPYOQILLEY-GXTWGEPZSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C(C)C ZINC000743714134 581823737 /nfs/dbraw/zinc/82/37/37/581823737.db2.gz OQDKWPYOQILLEY-GXTWGEPZSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000744422313 581842134 /nfs/dbraw/zinc/84/21/34/581842134.db2.gz LYXSCZOULLMGDC-CYBMUJFWSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078906 581864097 /nfs/dbraw/zinc/86/40/97/581864097.db2.gz HZLADCRFGJJYGG-WDEREUQCSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078906 581864101 /nfs/dbraw/zinc/86/41/01/581864101.db2.gz HZLADCRFGJJYGG-WDEREUQCSA-N 1 2 252.314 0.152 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745103102 581865829 /nfs/dbraw/zinc/86/58/29/581865829.db2.gz ZRJGDPFGXKBAIH-OAHLLOKOSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745103102 581865830 /nfs/dbraw/zinc/86/58/30/581865830.db2.gz ZRJGDPFGXKBAIH-OAHLLOKOSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000745794278 581885496 /nfs/dbraw/zinc/88/54/96/581885496.db2.gz YHGWZYGYDUBGMK-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794278 581885499 /nfs/dbraw/zinc/88/54/99/581885499.db2.gz YHGWZYGYDUBGMK-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO CON=CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000773806431 581897297 /nfs/dbraw/zinc/89/72/97/581897297.db2.gz AABWQEBDUWGZMI-UHFFFAOYSA-N 1 2 280.328 0.568 20 30 CCEDLO C[C@@H]1CC(=O)N(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000733290573 581897866 /nfs/dbraw/zinc/89/78/66/581897866.db2.gz YQBTUNAUBIZHHY-CYBMUJFWSA-N 1 2 299.378 0.901 20 30 CCEDLO c1c[nH]c(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761838882 581921797 /nfs/dbraw/zinc/92/17/97/581921797.db2.gz NYJNAPIEWGSZAJ-UHFFFAOYSA-N 1 2 254.257 0.831 20 30 CCEDLO Cn1ccnc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761833660 581921931 /nfs/dbraw/zinc/92/19/31/581921931.db2.gz CWJXVJWUTJYNJA-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000773985611 581951651 /nfs/dbraw/zinc/95/16/51/581951651.db2.gz PPIAPLBGKGSUBK-UHFFFAOYSA-N 1 2 291.326 0.813 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000748373382 581973027 /nfs/dbraw/zinc/97/30/27/581973027.db2.gz YGGIRVUOBLHOBH-OAVHHTNSSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000748373382 581973028 /nfs/dbraw/zinc/97/30/28/581973028.db2.gz YGGIRVUOBLHOBH-OAVHHTNSSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000763027677 581978182 /nfs/dbraw/zinc/97/81/82/581978182.db2.gz HFGHXNWGIASLLI-LBPRGKRZSA-N 1 2 277.324 0.735 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCCOCCO)cc1 ZINC000763427547 581998791 /nfs/dbraw/zinc/99/87/91/581998791.db2.gz URLJSFMGTJCAMA-UHFFFAOYSA-N 1 2 254.286 0.341 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000749522505 582011519 /nfs/dbraw/zinc/01/15/19/582011519.db2.gz AXAYOOIDMZVNDA-FQEVSTJZSA-N 1 2 292.408 0.449 20 30 CCEDLO C#CC[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000775400253 582023671 /nfs/dbraw/zinc/02/36/71/582023671.db2.gz NMHBOTQYEBLAHG-LLVKDONJSA-N 1 2 268.324 0.890 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2c(C)noc2C)CC1 ZINC000749846796 582025216 /nfs/dbraw/zinc/02/52/16/582025216.db2.gz PBYUGYDQURLAAG-UHFFFAOYSA-N 1 2 290.367 0.505 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)ccn1 ZINC000764436145 582046799 /nfs/dbraw/zinc/04/67/99/582046799.db2.gz GRKNSVUWCPTUMY-ZDUSSCGKSA-N 1 2 272.308 0.980 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)ccn1 ZINC000764436145 582046801 /nfs/dbraw/zinc/04/68/01/582046801.db2.gz GRKNSVUWCPTUMY-ZDUSSCGKSA-N 1 2 272.308 0.980 20 30 CCEDLO CC#CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000764509449 582054312 /nfs/dbraw/zinc/05/43/12/582054312.db2.gz XYKDWJLXFMGPQV-ZDUSSCGKSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC(C)(C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900703872 612945854 /nfs/dbraw/zinc/94/58/54/612945854.db2.gz QAMMNSJDDCVPOX-ZRDIBKRKSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CC1(O)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000899118917 612950506 /nfs/dbraw/zinc/95/05/06/612950506.db2.gz SXWKWUVIELCTRF-UHFFFAOYSA-N 1 2 292.379 0.228 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875928397 613034884 /nfs/dbraw/zinc/03/48/84/613034884.db2.gz RCIJFIFCSMAYKJ-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875928397 613034886 /nfs/dbraw/zinc/03/48/86/613034886.db2.gz RCIJFIFCSMAYKJ-UONOGXRCSA-N 1 2 297.399 0.435 20 30 CCEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CC(=O)NC)no1 ZINC000852101728 613113072 /nfs/dbraw/zinc/11/30/72/613113072.db2.gz HTVRIWIQPJTUTP-LBPRGKRZSA-N 1 2 250.302 0.250 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933905977 614180483 /nfs/dbraw/zinc/18/04/83/614180483.db2.gz HQBZGJDOVBVRCW-SWLSCSKDSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933905977 614180486 /nfs/dbraw/zinc/18/04/86/614180486.db2.gz HQBZGJDOVBVRCW-SWLSCSKDSA-N 1 2 295.383 0.878 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000880588680 614184352 /nfs/dbraw/zinc/18/43/52/614184352.db2.gz WVSATADCDCPJCU-SWLSCSKDSA-N 1 2 294.399 0.627 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000880588680 614184355 /nfs/dbraw/zinc/18/43/55/614184355.db2.gz WVSATADCDCPJCU-SWLSCSKDSA-N 1 2 294.399 0.627 20 30 CCEDLO COc1ccc(CC(N)=[NH+]O[C@@H]2CCN(C)C2=O)cc1 ZINC000116267580 617237854 /nfs/dbraw/zinc/23/78/54/617237854.db2.gz OCUYBYHCSXZCKV-GFCCVEGCSA-N 1 2 277.324 0.757 20 30 CCEDLO COc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)nc1 ZINC000895194499 617259239 /nfs/dbraw/zinc/25/92/39/617259239.db2.gz ZGBYFBHMFGPETR-LLVKDONJSA-N 1 2 251.286 0.560 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939407058 617291040 /nfs/dbraw/zinc/29/10/40/617291040.db2.gz YERKFKGPELXZSA-NWDGAFQWSA-N 1 2 289.339 0.102 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866155 617296019 /nfs/dbraw/zinc/29/60/19/617296019.db2.gz LDRGAVALPANJGU-LRDDRELGSA-N 1 2 287.363 0.984 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866155 617296021 /nfs/dbraw/zinc/29/60/21/617296021.db2.gz LDRGAVALPANJGU-LRDDRELGSA-N 1 2 287.363 0.984 20 30 CCEDLO C#CCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840310108 612981665 /nfs/dbraw/zinc/98/16/65/612981665.db2.gz IOHLCHSUNXTHCY-UHFFFAOYSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)S(N)(=O)=O ZINC000853465848 612982876 /nfs/dbraw/zinc/98/28/76/612982876.db2.gz MTYCBKFYHYDDBV-LLVKDONJSA-N 1 2 297.380 0.963 20 30 CCEDLO C#CCOCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000852052162 612983211 /nfs/dbraw/zinc/98/32/11/612983211.db2.gz JWXQTBJFXJZPOR-JTQLQIEISA-N 1 2 250.302 0.340 20 30 CCEDLO C#CCOCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000852052162 612983213 /nfs/dbraw/zinc/98/32/13/612983213.db2.gz JWXQTBJFXJZPOR-JTQLQIEISA-N 1 2 250.302 0.340 20 30 CCEDLO C#CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805280040 612986727 /nfs/dbraw/zinc/98/67/27/612986727.db2.gz XLHLQSZJKIEGPI-KBPBESRZSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000949628807 612990089 /nfs/dbraw/zinc/99/00/89/612990089.db2.gz XKWJYQIBMSOOQZ-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000865086532 613010521 /nfs/dbraw/zinc/01/05/21/613010521.db2.gz WRPPURRUIMRIEC-HNNXBMFYSA-N 1 2 275.352 0.474 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000858141840 613021327 /nfs/dbraw/zinc/02/13/27/613021327.db2.gz SALFZRJSCUHYKI-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000875929128 613034453 /nfs/dbraw/zinc/03/44/53/613034453.db2.gz XYVYPWFFIGOCHM-ZDUSSCGKSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)OC ZINC000823519294 613041059 /nfs/dbraw/zinc/04/10/59/613041059.db2.gz LVLHKWBUUBXRIM-OPRDCNLKSA-N 1 2 261.281 0.194 20 30 CCEDLO C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)OC ZINC000823519294 613041060 /nfs/dbraw/zinc/04/10/60/613041060.db2.gz LVLHKWBUUBXRIM-OPRDCNLKSA-N 1 2 261.281 0.194 20 30 CCEDLO C#CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)C(=O)OC ZINC000894985679 613043386 /nfs/dbraw/zinc/04/33/86/613043386.db2.gz MPJWUBOMMUXBND-CHWSQXEVSA-N 1 2 281.352 0.869 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858154943 613051456 /nfs/dbraw/zinc/05/14/56/613051456.db2.gz WNOKISXYUNBKJS-QWHCGFSZSA-N 1 2 278.356 0.999 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000798352520 613057440 /nfs/dbraw/zinc/05/74/40/613057440.db2.gz LFHWJWKVCPTWSB-VXGBXAGGSA-N 1 2 264.329 0.345 20 30 CCEDLO C#CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)C1CSC1 ZINC000912362318 613064859 /nfs/dbraw/zinc/06/48/59/613064859.db2.gz SEBJJQKMPTYQKA-UKTHLTGXSA-N 1 2 294.420 0.842 20 30 CCEDLO C#CC[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927654448 613076427 /nfs/dbraw/zinc/07/64/27/613076427.db2.gz SJJLLRBMOSDWSW-VHSXEESVSA-N 1 2 258.281 0.142 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000971674014 613084079 /nfs/dbraw/zinc/08/40/79/613084079.db2.gz MNOWFGBMULVKIK-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000971674014 613084081 /nfs/dbraw/zinc/08/40/81/613084081.db2.gz MNOWFGBMULVKIK-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000971596583 613087012 /nfs/dbraw/zinc/08/70/12/613087012.db2.gz JWMIJSIDMDWUDA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000971596583 613087014 /nfs/dbraw/zinc/08/70/14/613087014.db2.gz JWMIJSIDMDWUDA-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000812020448 613095579 /nfs/dbraw/zinc/09/55/79/613095579.db2.gz BPOWECMAFUJJGL-CHWSQXEVSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000812020448 613095580 /nfs/dbraw/zinc/09/55/80/613095580.db2.gz BPOWECMAFUJJGL-CHWSQXEVSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C1CSC1 ZINC000878913656 613098439 /nfs/dbraw/zinc/09/84/39/613098439.db2.gz VXHSUVHZRZGDMR-SECBINFHSA-N 1 2 269.370 0.271 20 30 CCEDLO C#CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)C1CSC1 ZINC000878913656 613098440 /nfs/dbraw/zinc/09/84/40/613098440.db2.gz VXHSUVHZRZGDMR-SECBINFHSA-N 1 2 269.370 0.271 20 30 CCEDLO C#CC[NH+](CC#C)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823845348 613099128 /nfs/dbraw/zinc/09/91/28/613099128.db2.gz OXCZGMFRWVNYJC-UHFFFAOYSA-N 1 2 257.322 0.997 20 30 CCEDLO C#C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000882199575 613100111 /nfs/dbraw/zinc/10/01/11/613100111.db2.gz RPTRWDLFHAQSMT-LLVKDONJSA-N 1 2 269.370 0.850 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C=C(C)C)CC2)C1 ZINC000941288556 613114513 /nfs/dbraw/zinc/11/45/13/613114513.db2.gz VAKVUEKOCIDURP-UHFFFAOYSA-N 1 2 261.369 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)C1 ZINC000941391531 613114758 /nfs/dbraw/zinc/11/47/58/613114758.db2.gz YIALXNMXBMHJSI-AATRIKPKSA-N 1 2 298.390 0.490 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3=COCCC3)CC2)C1 ZINC000941332428 613114775 /nfs/dbraw/zinc/11/47/75/613114775.db2.gz IWQBSVNSIRBACT-UHFFFAOYSA-N 1 2 289.379 0.142 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000941318963 613115196 /nfs/dbraw/zinc/11/51/96/613115196.db2.gz CKDZGZAJRLJCSB-ZDUSSCGKSA-N 1 2 263.385 0.494 20 30 CCEDLO C#C[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000907488291 613130974 /nfs/dbraw/zinc/13/09/74/613130974.db2.gz PLCQHSVAMNPDPG-WJAHIIFUSA-N 1 2 292.379 0.562 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000928654745 613132538 /nfs/dbraw/zinc/13/25/38/613132538.db2.gz BNWDREIGJLBMBO-UHFFFAOYSA-N 1 2 286.397 0.023 20 30 CCEDLO C#C[C@H]([C@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804178707 613153628 /nfs/dbraw/zinc/15/36/28/613153628.db2.gz VPNTUKMIBHBPHR-QJPTWQEYSA-N 1 2 288.307 0.053 20 30 CCEDLO C#C[C@H]([C@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804178707 613153631 /nfs/dbraw/zinc/15/36/31/613153631.db2.gz VPNTUKMIBHBPHR-QJPTWQEYSA-N 1 2 288.307 0.053 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)COC)C1 ZINC000885512227 613175880 /nfs/dbraw/zinc/17/58/80/613175880.db2.gz UMPTZUUMHVTOSP-QWHCGFSZSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)COC)C1 ZINC000885512227 613175881 /nfs/dbraw/zinc/17/58/81/613175881.db2.gz UMPTZUUMHVTOSP-QWHCGFSZSA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCCF)C1 ZINC000885509906 613175944 /nfs/dbraw/zinc/17/59/44/613175944.db2.gz ZGUHQNBLGWAYFF-GFCCVEGCSA-N 1 2 276.377 0.753 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCF)C1 ZINC000885509906 613175945 /nfs/dbraw/zinc/17/59/45/613175945.db2.gz ZGUHQNBLGWAYFF-GFCCVEGCSA-N 1 2 276.377 0.753 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000885512166 613175978 /nfs/dbraw/zinc/17/59/78/613175978.db2.gz SMXVSYIJGIHTCW-QWHCGFSZSA-N 1 2 286.397 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000885512166 613175979 /nfs/dbraw/zinc/17/59/79/613175979.db2.gz SMXVSYIJGIHTCW-QWHCGFSZSA-N 1 2 286.397 0.040 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000855409687 613178822 /nfs/dbraw/zinc/17/88/22/613178822.db2.gz GLLNNFSYSDWFSS-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000855409687 613178824 /nfs/dbraw/zinc/17/88/24/613178824.db2.gz GLLNNFSYSDWFSS-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)onc2CO)C1 ZINC000923559702 613191258 /nfs/dbraw/zinc/19/12/58/613191258.db2.gz RPUNWBAZFWBQKG-NSHDSACASA-N 1 2 277.324 0.303 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)onc2CO)C1 ZINC000923559702 613191259 /nfs/dbraw/zinc/19/12/59/613191259.db2.gz RPUNWBAZFWBQKG-NSHDSACASA-N 1 2 277.324 0.303 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)COC)C1 ZINC000885512228 613193095 /nfs/dbraw/zinc/19/30/95/613193095.db2.gz UMPTZUUMHVTOSP-STQMWFEESA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)COC)C1 ZINC000885512228 613193096 /nfs/dbraw/zinc/19/30/96/613193096.db2.gz UMPTZUUMHVTOSP-STQMWFEESA-N 1 2 288.413 0.286 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(C)on2)C1 ZINC000885511600 613193106 /nfs/dbraw/zinc/19/31/06/613193106.db2.gz KNCGJAHYRHRFPG-LBPRGKRZSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(C)on2)C1 ZINC000885511600 613193108 /nfs/dbraw/zinc/19/31/08/613193108.db2.gz KNCGJAHYRHRFPG-LBPRGKRZSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000862996537 613202220 /nfs/dbraw/zinc/20/22/20/613202220.db2.gz MFRAJFZAEJSPOT-CABCVRRESA-N 1 2 297.358 0.764 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000862996537 613202223 /nfs/dbraw/zinc/20/22/23/613202223.db2.gz MFRAJFZAEJSPOT-CABCVRRESA-N 1 2 297.358 0.764 20 30 CCEDLO C#CC[NH+]1CCN(c2ccnc(C(=O)OC)n2)CC1 ZINC000853131119 613209551 /nfs/dbraw/zinc/20/95/51/613209551.db2.gz ASXWGQHTRFXRAS-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC000949358222 613210525 /nfs/dbraw/zinc/21/05/25/613210525.db2.gz IYXVPIWWXCSFTI-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC000949358222 613210526 /nfs/dbraw/zinc/21/05/26/613210526.db2.gz IYXVPIWWXCSFTI-UHFFFAOYSA-N 1 2 288.351 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3=COCCC3)C2)C1 ZINC000972286392 613210848 /nfs/dbraw/zinc/21/08/48/613210848.db2.gz SPFVSLVNEACIRE-INIZCTEOSA-N 1 2 290.363 0.617 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3=COCCC3)C2)C1 ZINC000972286392 613210852 /nfs/dbraw/zinc/21/08/52/613210852.db2.gz SPFVSLVNEACIRE-INIZCTEOSA-N 1 2 290.363 0.617 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972229921 613211153 /nfs/dbraw/zinc/21/11/53/613211153.db2.gz DJUJXYZEGCOAEU-HNNXBMFYSA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972229921 613211154 /nfs/dbraw/zinc/21/11/54/613211154.db2.gz DJUJXYZEGCOAEU-HNNXBMFYSA-N 1 2 262.353 0.889 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000855406328 613216728 /nfs/dbraw/zinc/21/67/28/613216728.db2.gz DACSLKBHEYRCQW-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000855406328 613216731 /nfs/dbraw/zinc/21/67/31/613216731.db2.gz DACSLKBHEYRCQW-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C/C(=C/C(=O)N[C@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900432578 613239840 /nfs/dbraw/zinc/23/98/40/613239840.db2.gz FKAHWGIMMOASBA-UCQJPZFISA-N 1 2 251.330 0.683 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000981740898 613240536 /nfs/dbraw/zinc/24/05/36/613240536.db2.gz ITCCYPSTUMFTSW-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000981740898 613240538 /nfs/dbraw/zinc/24/05/38/613240538.db2.gz ITCCYPSTUMFTSW-GFCCVEGCSA-N 1 2 281.400 0.997 20 30 CCEDLO C/C(=C\C(=O)Nc1n[nH]cc1C#N)C[NH+]1CCOCC1 ZINC000910944241 613260207 /nfs/dbraw/zinc/26/02/07/613260207.db2.gz NMAFZHLRDGCNQV-UXBLZVDNSA-N 1 2 275.312 0.498 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC000957458741 613321631 /nfs/dbraw/zinc/32/16/31/613321631.db2.gz HJJBNAMZYXJJEB-UHFFFAOYSA-N 1 2 273.340 0.996 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C#CCC)CC1 ZINC000846938863 613329570 /nfs/dbraw/zinc/32/95/70/613329570.db2.gz TYIRCZMPMMUPPZ-AWEZNQCLSA-N 1 2 261.369 0.155 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133946 613330030 /nfs/dbraw/zinc/33/00/30/613330030.db2.gz SLVUOTTXHPBQGO-LLVKDONJSA-N 1 2 266.732 0.533 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133946 613330032 /nfs/dbraw/zinc/33/00/32/613330032.db2.gz SLVUOTTXHPBQGO-LLVKDONJSA-N 1 2 266.732 0.533 20 30 CCEDLO C=C(C)CONC(=O)N1CC[NH+](CCOCC)CC1 ZINC000845596786 613352927 /nfs/dbraw/zinc/35/29/27/613352927.db2.gz BROAJEYJEBWOSV-UHFFFAOYSA-N 1 2 271.361 0.858 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000883035700 613357345 /nfs/dbraw/zinc/35/73/45/613357345.db2.gz MFYXZHMTLLDHMC-GFCCVEGCSA-N 1 2 266.345 0.900 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCCO2)C1 ZINC000969323510 613371598 /nfs/dbraw/zinc/37/15/98/613371598.db2.gz MEFDCJPJJKVFBX-PWSUYJOCSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 ZINC000981043509 613373030 /nfs/dbraw/zinc/37/30/30/613373030.db2.gz CBRLTTBUCWKQAK-UHFFFAOYSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 ZINC000981043509 613373031 /nfs/dbraw/zinc/37/30/31/613373031.db2.gz CBRLTTBUCWKQAK-UHFFFAOYSA-N 1 2 299.802 0.752 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000110115568 613374191 /nfs/dbraw/zinc/37/41/91/613374191.db2.gz MQODAVCYZUUCOS-VIFPVBQESA-N 1 2 267.782 0.244 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000110115568 613374192 /nfs/dbraw/zinc/37/41/92/613374192.db2.gz MQODAVCYZUUCOS-VIFPVBQESA-N 1 2 267.782 0.244 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000968275810 613398996 /nfs/dbraw/zinc/39/89/96/613398996.db2.gz SPWKAHVGBIEBQK-NWDGAFQWSA-N 1 2 279.384 0.655 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)C1 ZINC000968275810 613398998 /nfs/dbraw/zinc/39/89/98/613398998.db2.gz SPWKAHVGBIEBQK-NWDGAFQWSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCc1cnn(C)n1)C(=O)OC ZINC000905768709 613405709 /nfs/dbraw/zinc/40/57/09/613405709.db2.gz ARBYVIZMPYRIDU-LLVKDONJSA-N 1 2 252.318 0.455 20 30 CCEDLO C=CC[C@H]([NH2+]CCCc1ncn(C)n1)C(=O)OC ZINC000905776343 613419055 /nfs/dbraw/zinc/41/90/55/613419055.db2.gz AUHHSAPQVIEKOF-JTQLQIEISA-N 1 2 252.318 0.455 20 30 CCEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)C(=O)OC ZINC000878506813 613420136 /nfs/dbraw/zinc/42/01/36/613420136.db2.gz AXXHLCBLZHUIRQ-VWYCJHECSA-N 1 2 254.330 0.608 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585678 613441587 /nfs/dbraw/zinc/44/15/87/613441587.db2.gz SNPKADZUWXQFJG-RYUDHWBXSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585678 613441589 /nfs/dbraw/zinc/44/15/89/613441589.db2.gz SNPKADZUWXQFJG-RYUDHWBXSA-N 1 2 269.341 0.577 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102515 613441609 /nfs/dbraw/zinc/44/16/09/613441609.db2.gz FDRPDXPMNOWXSX-MXWKQRLJSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102515 613441611 /nfs/dbraw/zinc/44/16/11/613441611.db2.gz FDRPDXPMNOWXSX-MXWKQRLJSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@@H](C)ONC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000911903907 613442896 /nfs/dbraw/zinc/44/28/96/613442896.db2.gz ZPCAEHQLNKHFHC-UCQJPZFISA-N 1 2 254.330 0.887 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CCOCC1 ZINC000913540936 613455829 /nfs/dbraw/zinc/45/58/29/613455829.db2.gz AYFCAWMWYLRLBS-CYBMUJFWSA-N 1 2 282.384 0.494 20 30 CCEDLO C=CCC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CCOCC1 ZINC000913540936 613455833 /nfs/dbraw/zinc/45/58/33/613455833.db2.gz AYFCAWMWYLRLBS-CYBMUJFWSA-N 1 2 282.384 0.494 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000824278591 613469387 /nfs/dbraw/zinc/46/93/87/613469387.db2.gz GFKHOYUMEQTVGK-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000824278591 613469388 /nfs/dbraw/zinc/46/93/88/613469388.db2.gz GFKHOYUMEQTVGK-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000931925197 613489074 /nfs/dbraw/zinc/48/90/74/613489074.db2.gz AHPHLSCXFSDCMA-GFCCVEGCSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000931925197 613489077 /nfs/dbraw/zinc/48/90/77/613489077.db2.gz AHPHLSCXFSDCMA-GFCCVEGCSA-N 1 2 267.373 0.608 20 30 CCEDLO CC#CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907246753 613522847 /nfs/dbraw/zinc/52/28/47/613522847.db2.gz UCISKAPNBHQEHF-UHFFFAOYSA-N 1 2 289.379 0.964 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC000941370746 613529124 /nfs/dbraw/zinc/52/91/24/613529124.db2.gz DWKYOOFESSJYMW-UHFFFAOYSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000950058705 613563257 /nfs/dbraw/zinc/56/32/57/613563257.db2.gz DZUIXEYVJFKJEG-CYBMUJFWSA-N 1 2 250.342 0.581 20 30 CCEDLO C=CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875725686 613569494 /nfs/dbraw/zinc/56/94/94/613569494.db2.gz YEYKSHBONBQDBV-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875725686 613569496 /nfs/dbraw/zinc/56/94/96/613569496.db2.gz YEYKSHBONBQDBV-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972297109 613570138 /nfs/dbraw/zinc/57/01/38/613570138.db2.gz GOGWGDAWUADIDQ-HIFRSBDPSA-N 1 2 275.352 0.473 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972297109 613570139 /nfs/dbraw/zinc/57/01/39/613570139.db2.gz GOGWGDAWUADIDQ-HIFRSBDPSA-N 1 2 275.352 0.473 20 30 CCEDLO C=CCCON1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000806672428 613576296 /nfs/dbraw/zinc/57/62/96/613576296.db2.gz CCWRSNUROOBLKR-VIFPVBQESA-N 1 2 250.258 0.380 20 30 CCEDLO C=CCCON1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000806672428 613576297 /nfs/dbraw/zinc/57/62/97/613576297.db2.gz CCWRSNUROOBLKR-VIFPVBQESA-N 1 2 250.258 0.380 20 30 CCEDLO CC#CCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923216879 613644459 /nfs/dbraw/zinc/64/44/59/613644459.db2.gz ARQDWUBAXDPGMF-LBPRGKRZSA-N 1 2 253.346 0.420 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000878242834 613651174 /nfs/dbraw/zinc/65/11/74/613651174.db2.gz WKLWNMKEEKAIDO-NWDGAFQWSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000878242834 613651175 /nfs/dbraw/zinc/65/11/75/613651175.db2.gz WKLWNMKEEKAIDO-NWDGAFQWSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC000957691192 613710960 /nfs/dbraw/zinc/71/09/60/613710960.db2.gz FZKXPANKNCDXLG-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000948625319 613712634 /nfs/dbraw/zinc/71/26/34/613712634.db2.gz YSHSDKCACFGTTH-AWEZNQCLSA-N 1 2 293.411 0.821 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2nccn3c[nH+]cc23)C1=O ZINC000893669325 613739017 /nfs/dbraw/zinc/73/90/17/613739017.db2.gz WJFTUUBPWRWALI-LLVKDONJSA-N 1 2 271.324 0.952 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC3(C2)OCCO3)C1=O ZINC000799143240 613777649 /nfs/dbraw/zinc/77/76/49/613777649.db2.gz HHKMXHGKVPXEPJ-LBPRGKRZSA-N 1 2 266.341 0.612 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC3(C2)OCCO3)C1=O ZINC000799143240 613777651 /nfs/dbraw/zinc/77/76/51/613777651.db2.gz HHKMXHGKVPXEPJ-LBPRGKRZSA-N 1 2 266.341 0.612 20 30 CCEDLO C=CCNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259194 613856449 /nfs/dbraw/zinc/85/64/49/613856449.db2.gz BLHCICYYIQHEBV-UHFFFAOYSA-N 1 2 291.424 0.697 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280173 613857476 /nfs/dbraw/zinc/85/74/76/613857476.db2.gz BWKFYFCOUCPAMY-QWRGUYRKSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280173 613857478 /nfs/dbraw/zinc/85/74/78/613857478.db2.gz BWKFYFCOUCPAMY-QWRGUYRKSA-N 1 2 257.403 0.746 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C1CCC1 ZINC000884148789 613877458 /nfs/dbraw/zinc/87/74/58/613877458.db2.gz TZHBIWOGHOBKED-NSHDSACASA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000884323016 613877204 /nfs/dbraw/zinc/87/72/04/613877204.db2.gz BQBCPMRTTDFNLU-LBPRGKRZSA-N 1 2 294.355 0.178 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC)(CO)CC1 ZINC000884427090 613877579 /nfs/dbraw/zinc/87/75/79/613877579.db2.gz HAZDRMNVYZTYNQ-LBPRGKRZSA-N 1 2 298.383 0.444 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](COC)C1 ZINC000884132817 613877581 /nfs/dbraw/zinc/87/75/81/613877581.db2.gz BHLGNGMSSJBSHK-RYUDHWBXSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCCO1 ZINC000884314191 613878156 /nfs/dbraw/zinc/87/81/56/613878156.db2.gz BTCOAHBNAALISM-RYUDHWBXSA-N 1 2 284.356 0.508 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC=CC1 ZINC000884430160 613878279 /nfs/dbraw/zinc/87/82/79/613878279.db2.gz GMLIRRUTHLYNAB-NSHDSACASA-N 1 2 252.314 0.515 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)SC ZINC000884251625 613878306 /nfs/dbraw/zinc/87/83/06/613878306.db2.gz MBARPXYXRPCKRF-BDAKNGLRSA-N 1 2 260.359 0.301 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000884308875 613878333 /nfs/dbraw/zinc/87/83/33/613878333.db2.gz GFPUILPHPAKKIP-SRVKXCTJSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000884346819 613878547 /nfs/dbraw/zinc/87/85/47/613878547.db2.gz BXPWHTRSKPOZEX-UTUOFQBUSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1OC ZINC000884313652 613878686 /nfs/dbraw/zinc/87/86/86/613878686.db2.gz LEIYEBABHOPTFX-SRVKXCTJSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000884461117 613878965 /nfs/dbraw/zinc/87/89/65/613878965.db2.gz VDWLIFDCVQQQRZ-MJVIPROJSA-N 1 2 266.341 0.882 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)nn1C ZINC000884051075 613879016 /nfs/dbraw/zinc/87/90/16/613879016.db2.gz UWDSOXCMUHKQID-VIFPVBQESA-N 1 2 266.301 0.114 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844341878 613880472 /nfs/dbraw/zinc/88/04/72/613880472.db2.gz YVECCVWFKGSXFH-UHFFFAOYSA-N 1 2 298.383 0.675 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854117568 613884052 /nfs/dbraw/zinc/88/40/52/613884052.db2.gz HHUOOQOIRIEWJA-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854117568 613884053 /nfs/dbraw/zinc/88/40/53/613884053.db2.gz HHUOOQOIRIEWJA-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000823161652 614180622 /nfs/dbraw/zinc/18/06/22/614180622.db2.gz SPJNPLQXNZACJP-NEPJUHHUSA-N 1 2 294.355 0.967 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900810632 614328431 /nfs/dbraw/zinc/32/84/31/614328431.db2.gz HIGQTNCLGBTGPV-OLZOCXBDSA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900810632 614328433 /nfs/dbraw/zinc/32/84/33/614328433.db2.gz HIGQTNCLGBTGPV-OLZOCXBDSA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855406169 614327564 /nfs/dbraw/zinc/32/75/64/614327564.db2.gz CNEPZPHNMIQBJV-STQMWFEESA-N 1 2 252.358 0.871 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855406169 614327565 /nfs/dbraw/zinc/32/75/65/614327565.db2.gz CNEPZPHNMIQBJV-STQMWFEESA-N 1 2 252.358 0.871 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000956572465 614608128 /nfs/dbraw/zinc/60/81/28/614608128.db2.gz QBRCGPVFTHAZSO-CHWSQXEVSA-N 1 2 292.383 0.301 20 30 CCEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931329475 614971415 /nfs/dbraw/zinc/97/14/15/614971415.db2.gz UTXQMZMDGLCCHS-MJBXVCDLSA-N 1 2 295.383 0.675 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934433 615064260 /nfs/dbraw/zinc/06/42/60/615064260.db2.gz RYUHFLSXSSBINL-XIKARTHZSA-N 1 2 292.383 0.477 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934433 615064261 /nfs/dbraw/zinc/06/42/61/615064261.db2.gz RYUHFLSXSSBINL-XIKARTHZSA-N 1 2 292.383 0.477 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)o2)C1 ZINC000873363493 615185696 /nfs/dbraw/zinc/18/56/96/615185696.db2.gz SBBPBNMYJJRJMT-LBPRGKRZSA-N 1 2 264.281 0.915 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)o2)C1 ZINC000873363493 615185698 /nfs/dbraw/zinc/18/56/98/615185698.db2.gz SBBPBNMYJJRJMT-LBPRGKRZSA-N 1 2 264.281 0.915 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935400921 615470390 /nfs/dbraw/zinc/47/03/90/615470390.db2.gz POSLNARPXDHESQ-MJBXVCDLSA-N 1 2 295.383 0.675 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000925599045 615478000 /nfs/dbraw/zinc/47/80/00/615478000.db2.gz WLANTMFUXDHAKS-JSGCOSHPSA-N 1 2 298.362 0.744 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)NCCC#N)[C@@H](CC)CO1 ZINC000844388530 615911948 /nfs/dbraw/zinc/91/19/48/615911948.db2.gz SOTQSUXGHYZVIT-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)NCCC#N)[C@@H](CC)CO1 ZINC000844388530 615911950 /nfs/dbraw/zinc/91/19/50/615911950.db2.gz SOTQSUXGHYZVIT-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)NC1CC1)[C@@H]1CCSC1 ZINC000123634928 616050887 /nfs/dbraw/zinc/05/08/87/616050887.db2.gz JGWYWYCLIUGZCR-GHMZBOCLSA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)NC1CC1)[C@@H]1CCSC1 ZINC000123634928 616050888 /nfs/dbraw/zinc/05/08/88/616050888.db2.gz JGWYWYCLIUGZCR-GHMZBOCLSA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@H+](CCC(N)=O)Cc1cc(C#N)cnc1Cl ZINC000877521454 616069701 /nfs/dbraw/zinc/06/97/01/616069701.db2.gz ZCEGMOVHOSKJTP-UHFFFAOYSA-N 1 2 252.705 0.914 20 30 CCEDLO C[N@@H+](CCC(N)=O)Cc1cc(C#N)cnc1Cl ZINC000877521454 616069702 /nfs/dbraw/zinc/06/97/02/616069702.db2.gz ZCEGMOVHOSKJTP-UHFFFAOYSA-N 1 2 252.705 0.914 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000930001288 616149119 /nfs/dbraw/zinc/14/91/19/616149119.db2.gz TVDVCBRBGSVIIM-WOPDTQHZSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000930001288 616149120 /nfs/dbraw/zinc/14/91/20/616149120.db2.gz TVDVCBRBGSVIIM-WOPDTQHZSA-N 1 2 274.386 0.549 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@H](CO)C1 ZINC000912738700 616230208 /nfs/dbraw/zinc/23/02/08/616230208.db2.gz INVHEAXNOPJFSI-LBPRGKRZSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@H](CO)C1 ZINC000912738700 616230209 /nfs/dbraw/zinc/23/02/09/616230209.db2.gz INVHEAXNOPJFSI-LBPRGKRZSA-N 1 2 277.299 0.446 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000921412231 616432605 /nfs/dbraw/zinc/43/26/05/616432605.db2.gz IZELTAZWSCAFCZ-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000921412231 616432607 /nfs/dbraw/zinc/43/26/07/616432607.db2.gz IZELTAZWSCAFCZ-JTQLQIEISA-N 1 2 283.328 0.680 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886206249 616709987 /nfs/dbraw/zinc/70/99/87/616709987.db2.gz NZAHEBBSQBCOHH-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886206249 616709991 /nfs/dbraw/zinc/70/99/91/616709991.db2.gz NZAHEBBSQBCOHH-STQMWFEESA-N 1 2 296.367 0.695 20 30 CCEDLO COC[C@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328911 616734875 /nfs/dbraw/zinc/73/48/75/616734875.db2.gz PKKWZLACZLCPRQ-HIFRSBDPSA-N 1 2 275.352 0.946 20 30 CCEDLO COC[C@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328911 616734878 /nfs/dbraw/zinc/73/48/78/616734878.db2.gz PKKWZLACZLCPRQ-HIFRSBDPSA-N 1 2 275.352 0.946 20 30 CCEDLO COCc1ncc2c(n1)CC[N@@H+](CCO[C@H](C)C#N)C2 ZINC000879108756 616954064 /nfs/dbraw/zinc/95/40/64/616954064.db2.gz RFZNTCDNHJDCMD-LLVKDONJSA-N 1 2 276.340 0.910 20 30 CCEDLO COCc1ncc2c(n1)CC[N@H+](CCO[C@H](C)C#N)C2 ZINC000879108756 616954066 /nfs/dbraw/zinc/95/40/66/616954066.db2.gz RFZNTCDNHJDCMD-LLVKDONJSA-N 1 2 276.340 0.910 20 30 CCEDLO COC[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000933337318 616984624 /nfs/dbraw/zinc/98/46/24/616984624.db2.gz UIYQYGMOBRSWLS-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000933337318 616984627 /nfs/dbraw/zinc/98/46/27/616984627.db2.gz UIYQYGMOBRSWLS-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929620633 617005024 /nfs/dbraw/zinc/00/50/24/617005024.db2.gz ZQAOCCOYZMVEMJ-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO COCC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801935667 617023507 /nfs/dbraw/zinc/02/35/07/617023507.db2.gz CAKIVMMJEPQRMJ-NWDGAFQWSA-N 1 2 290.385 0.051 20 30 CCEDLO COCC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000801935667 617023511 /nfs/dbraw/zinc/02/35/11/617023511.db2.gz CAKIVMMJEPQRMJ-NWDGAFQWSA-N 1 2 290.385 0.051 20 30 CCEDLO CON1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848416135 617084960 /nfs/dbraw/zinc/08/49/60/617084960.db2.gz AMTQRXGMOJVZMW-UHFFFAOYSA-N 1 2 251.334 0.876 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001008464010 625464634 /nfs/dbraw/zinc/46/46/34/625464634.db2.gz LPXDGUIOORMRGJ-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001008464010 625464636 /nfs/dbraw/zinc/46/46/36/625464636.db2.gz LPXDGUIOORMRGJ-NWDGAFQWSA-N 1 2 279.384 0.797 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024633293 623404568 /nfs/dbraw/zinc/40/45/68/623404568.db2.gz HUSKQMDDUOUGJC-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024633293 623404569 /nfs/dbraw/zinc/40/45/69/623404569.db2.gz HUSKQMDDUOUGJC-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(C)cn1 ZINC001018303247 623651059 /nfs/dbraw/zinc/65/10/59/623651059.db2.gz LEXVKJZRJOYGHF-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(C)cn1 ZINC001018303247 623651063 /nfs/dbraw/zinc/65/10/63/623651063.db2.gz LEXVKJZRJOYGHF-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532019 623661656 /nfs/dbraw/zinc/66/16/56/623661656.db2.gz OOYQVZVHEVOHPJ-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001007532019 623661659 /nfs/dbraw/zinc/66/16/59/623661659.db2.gz OOYQVZVHEVOHPJ-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018826859 623747503 /nfs/dbraw/zinc/74/75/03/623747503.db2.gz MMAAHXVDLHAHCI-LBPRGKRZSA-N 1 2 288.351 0.736 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971222696 624829019 /nfs/dbraw/zinc/82/90/19/624829019.db2.gz ZRVDIAXBVKGSKZ-DGCLKSJQSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971222696 624829021 /nfs/dbraw/zinc/82/90/21/624829021.db2.gz ZRVDIAXBVKGSKZ-DGCLKSJQSA-N 1 2 275.356 0.612 20 30 CCEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934030076 625007029 /nfs/dbraw/zinc/00/70/29/625007029.db2.gz XJUCNBMSCAPBFU-AWEZNQCLSA-N 1 2 273.336 1.000 20 30 CCEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934030076 625007031 /nfs/dbraw/zinc/00/70/31/625007031.db2.gz XJUCNBMSCAPBFU-AWEZNQCLSA-N 1 2 273.336 1.000 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027597529 630794849 /nfs/dbraw/zinc/79/48/49/630794849.db2.gz LHIIFVGIEGSOMD-LBPRGKRZSA-N 1 2 261.329 0.399 20 30 CCEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027690881 630854990 /nfs/dbraw/zinc/85/49/90/630854990.db2.gz JZTOKMUBPKYGTE-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001027690881 630854993 /nfs/dbraw/zinc/85/49/93/630854993.db2.gz JZTOKMUBPKYGTE-STQMWFEESA-N 1 2 298.408 0.120 20 30 CCEDLO O=C(C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1)NC1CC1 ZINC000981125918 631238891 /nfs/dbraw/zinc/23/88/91/631238891.db2.gz LMRWDRVKAOICQP-UHFFFAOYSA-N 1 2 289.379 0.213 20 30 CCEDLO O=C(C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1)NC1CC1 ZINC000981125918 631238895 /nfs/dbraw/zinc/23/88/95/631238895.db2.gz LMRWDRVKAOICQP-UHFFFAOYSA-N 1 2 289.379 0.213 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCN(CC#N)CC1 ZINC000981990036 631356896 /nfs/dbraw/zinc/35/68/96/631356896.db2.gz OAHFRZMPIAIHJN-CHWSQXEVSA-N 1 2 287.367 0.581 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000967945932 650006166 /nfs/dbraw/zinc/00/61/66/650006166.db2.gz ZDAYVTVUQCKZDE-GXSJLCMTSA-N 1 2 289.339 0.797 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cs1 ZINC000894117942 631531843 /nfs/dbraw/zinc/53/18/43/631531843.db2.gz VFHVXVIIFAWPKQ-CYBMUJFWSA-N 1 2 290.348 0.794 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cs1 ZINC000894117942 631531848 /nfs/dbraw/zinc/53/18/48/631531848.db2.gz VFHVXVIIFAWPKQ-CYBMUJFWSA-N 1 2 290.348 0.794 20 30 CCEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000047796062 631630391 /nfs/dbraw/zinc/63/03/91/631630391.db2.gz SSNWYVDIDLQEBL-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000047796062 631630395 /nfs/dbraw/zinc/63/03/95/631630395.db2.gz SSNWYVDIDLQEBL-LLVKDONJSA-N 1 2 282.344 0.227 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)NCC#C[C@@H]1CCCCO1 ZINC000894913392 631881227 /nfs/dbraw/zinc/88/12/27/631881227.db2.gz MVJGPGQCUACQHX-ZDUSSCGKSA-N 1 2 276.340 0.792 20 30 CCEDLO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160665 631993199 /nfs/dbraw/zinc/99/31/99/631993199.db2.gz OCTAEABEACNUPU-MRVPVSSYSA-N 1 2 258.709 0.543 20 30 CCEDLO COc1nccc(C[NH2+][C@H]2CCCN(O)C2=O)c1F ZINC000895192825 632020305 /nfs/dbraw/zinc/02/03/05/632020305.db2.gz JTDDQXWXEFMVIV-VIFPVBQESA-N 1 2 269.276 0.699 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CCO[C@H](C#N)C2)c[nH+]1 ZINC000896210908 632215596 /nfs/dbraw/zinc/21/55/96/632215596.db2.gz PAHVTPWOCYQIET-LLVKDONJSA-N 1 2 262.313 0.678 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153992 650068004 /nfs/dbraw/zinc/06/80/04/650068004.db2.gz YOERBRUIVWCJMA-SNVBAGLBSA-N 1 2 299.762 0.317 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007153992 650068006 /nfs/dbraw/zinc/06/80/06/650068006.db2.gz YOERBRUIVWCJMA-SNVBAGLBSA-N 1 2 299.762 0.317 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986600899 632778018 /nfs/dbraw/zinc/77/80/18/632778018.db2.gz JHULAWRRJYJPEZ-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988828396 633120367 /nfs/dbraw/zinc/12/03/67/633120367.db2.gz WULDUDFDOYHGAA-GXFFZTMASA-N 1 2 288.351 0.870 20 30 CCEDLO C/C(=C\C(=O)N(C)C[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000900329167 633990342 /nfs/dbraw/zinc/99/03/42/633990342.db2.gz LPNKZBSFWIQRES-YQCJOKCJSA-N 1 2 265.357 0.883 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001009129985 650138231 /nfs/dbraw/zinc/13/82/31/650138231.db2.gz HWWWBYAZHOXOFP-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001009129985 650138232 /nfs/dbraw/zinc/13/82/32/650138232.db2.gz HWWWBYAZHOXOFP-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009430186 650144976 /nfs/dbraw/zinc/14/49/76/650144976.db2.gz BRHOYQBAZHQWNC-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009430186 650144977 /nfs/dbraw/zinc/14/49/77/650144977.db2.gz BRHOYQBAZHQWNC-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO Cc1ccc2c(c1Cl)NC(=O)C2=NNC1=[NH+]CCN1 ZINC000901252476 634215285 /nfs/dbraw/zinc/21/52/85/634215285.db2.gz GYELIHSJFARICC-UHFFFAOYSA-N 1 2 277.715 0.853 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)C2(O)CCCC2)nn1 ZINC000905821071 634912373 /nfs/dbraw/zinc/91/23/73/634912373.db2.gz YYHIMTAAGTXJPK-CYBMUJFWSA-N 1 2 278.356 0.057 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082720 635074220 /nfs/dbraw/zinc/07/42/20/635074220.db2.gz MOXDTSNYSVJJJB-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907082720 635074224 /nfs/dbraw/zinc/07/42/24/635074224.db2.gz MOXDTSNYSVJJJB-WDEREUQCSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1ccncc1N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000908352135 635358499 /nfs/dbraw/zinc/35/84/99/635358499.db2.gz UXVOACUAHCEKEB-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646973 650250248 /nfs/dbraw/zinc/25/02/48/650250248.db2.gz XNAPPXFUSHKKJI-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646973 650250252 /nfs/dbraw/zinc/25/02/52/650250252.db2.gz XNAPPXFUSHKKJI-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)CC3(C#N)CC3)CC[NH2+]2)cn1 ZINC000913460219 636813117 /nfs/dbraw/zinc/81/31/17/636813117.db2.gz MYCVJSFEZXURCB-LBPRGKRZSA-N 1 2 273.340 0.587 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3ccnc(C#N)c3)CC[NH2+]2)cn1 ZINC000913460404 636813881 /nfs/dbraw/zinc/81/38/81/636813881.db2.gz JEJCOTPRMKRTAQ-AWEZNQCLSA-N 1 2 296.334 0.473 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001015068274 637342888 /nfs/dbraw/zinc/34/28/88/637342888.db2.gz AMNOBMPMEXMLEK-LBPRGKRZSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001015068274 637342892 /nfs/dbraw/zinc/34/28/92/637342892.db2.gz AMNOBMPMEXMLEK-LBPRGKRZSA-N 1 2 295.770 0.942 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015619521 637753875 /nfs/dbraw/zinc/75/38/75/637753875.db2.gz APCJDUCJBUPMIT-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001015619521 637753882 /nfs/dbraw/zinc/75/38/82/637753882.db2.gz APCJDUCJBUPMIT-RYUDHWBXSA-N 1 2 287.367 0.438 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)[C@H]1C ZINC000994342342 637920975 /nfs/dbraw/zinc/92/09/75/637920975.db2.gz AHDNQTDOZLOAMU-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)[C@H]1C ZINC000994342342 637920981 /nfs/dbraw/zinc/92/09/81/637920981.db2.gz AHDNQTDOZLOAMU-VXGBXAGGSA-N 1 2 297.790 1.000 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939407057 638361103 /nfs/dbraw/zinc/36/11/03/638361103.db2.gz YERKFKGPELXZSA-NEPJUHHUSA-N 1 2 289.339 0.102 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177463 638707829 /nfs/dbraw/zinc/70/78/29/638707829.db2.gz OPOHSXKFAQTVJH-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NCC#N ZINC000995741677 638799864 /nfs/dbraw/zinc/79/98/64/638799864.db2.gz ZPTJUJNDBNMTDV-NSHDSACASA-N 1 2 275.356 0.692 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940100 638808231 /nfs/dbraw/zinc/80/82/31/638808231.db2.gz FKBVQXQVQOFVMD-LBPRGKRZSA-N 1 2 296.334 0.595 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996399230 638817518 /nfs/dbraw/zinc/81/75/18/638817518.db2.gz QXDFJJBUKOWMHW-YPMHNXCESA-N 1 2 289.383 0.938 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996399230 638817521 /nfs/dbraw/zinc/81/75/21/638817521.db2.gz QXDFJJBUKOWMHW-YPMHNXCESA-N 1 2 289.383 0.938 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000998745340 638938224 /nfs/dbraw/zinc/93/82/24/638938224.db2.gz HBJFAYGOKYPZPD-MWLCHTKSSA-N 1 2 277.328 0.618 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000998746321 638938753 /nfs/dbraw/zinc/93/87/53/638938753.db2.gz MTPPQNYWNOGZIW-WDEREUQCSA-N 1 2 291.355 0.872 20 30 CCEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC(NCC#N)C1 ZINC000999383647 638979336 /nfs/dbraw/zinc/97/93/36/638979336.db2.gz DMOGTKGZWCLJQH-MCIGGMRASA-N 1 2 287.367 0.932 20 30 CCEDLO C[C@H](CC(=O)N1CCC[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC001000336516 639073104 /nfs/dbraw/zinc/07/31/04/639073104.db2.gz NYYDGNNYHRYWJG-CHWSQXEVSA-N 1 2 275.356 0.938 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001041281 639213599 /nfs/dbraw/zinc/21/35/99/639213599.db2.gz UOTVYBUTCYDBKY-LBPRGKRZSA-N 1 2 297.786 0.623 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001041281 639213604 /nfs/dbraw/zinc/21/36/04/639213604.db2.gz UOTVYBUTCYDBKY-LBPRGKRZSA-N 1 2 297.786 0.623 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001058073 639222847 /nfs/dbraw/zinc/22/28/47/639222847.db2.gz WUUADWKRFPZHIR-UHFFFAOYSA-N 1 2 296.762 0.325 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001058073 639222853 /nfs/dbraw/zinc/22/28/53/639222853.db2.gz WUUADWKRFPZHIR-UHFFFAOYSA-N 1 2 296.762 0.325 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(CC#N)C1 ZINC001014916479 650502859 /nfs/dbraw/zinc/50/28/59/650502859.db2.gz QVNXYZDMHZKKAS-LBPRGKRZSA-N 1 2 274.324 0.347 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000838114598 640231542 /nfs/dbraw/zinc/23/15/42/640231542.db2.gz LQTHXLDKOYSHHY-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000838114598 640231550 /nfs/dbraw/zinc/23/15/50/640231550.db2.gz LQTHXLDKOYSHHY-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO NC(CCO)=[NH+]OCc1nc(C2CCCC2)no1 ZINC000121331400 640242389 /nfs/dbraw/zinc/24/23/89/640242389.db2.gz YNZTVBJAONKIBI-UHFFFAOYSA-N 1 2 254.290 0.898 20 30 CCEDLO Cc1ccc2[nH+]cc(CN=Nc3ccc(C(N)=O)nn3)n2c1 ZINC000755770083 640336800 /nfs/dbraw/zinc/33/68/00/640336800.db2.gz JOUMBBOKJPRRSJ-UHFFFAOYSA-N 1 2 295.306 0.978 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015661798 650603661 /nfs/dbraw/zinc/60/36/61/650603661.db2.gz HDSGROVYDORXNU-MFKMUULPSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001015661798 650603663 /nfs/dbraw/zinc/60/36/63/650603663.db2.gz HDSGROVYDORXNU-MFKMUULPSA-N 1 2 285.775 0.598 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000804499003 640770413 /nfs/dbraw/zinc/77/04/13/640770413.db2.gz XBXTZNFKNIUSED-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015692258 650610612 /nfs/dbraw/zinc/61/06/12/650610612.db2.gz ZLBCZRXIFZPQED-MNOVXSKESA-N 1 2 273.340 0.544 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015804599 650632224 /nfs/dbraw/zinc/63/22/24/650632224.db2.gz YGZAIPFGJFIOFD-NSHDSACASA-N 1 2 292.408 0.955 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015804599 650632227 /nfs/dbraw/zinc/63/22/27/650632227.db2.gz YGZAIPFGJFIOFD-NSHDSACASA-N 1 2 292.408 0.955 20 30 CCEDLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCN(O)C1=O ZINC000816757131 641212500 /nfs/dbraw/zinc/21/25/00/641212500.db2.gz MEKSYYKLCIXYDL-JTQLQIEISA-N 1 2 266.301 0.160 20 30 CCEDLO Cc1cc(=O)[nH]c(N=NC2CC[NH+](CCO)CC2)n1 ZINC000819801098 641433220 /nfs/dbraw/zinc/43/32/20/641433220.db2.gz MUOCYMWGPUUHLA-UHFFFAOYSA-N 1 2 265.317 0.347 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001016014288 650675750 /nfs/dbraw/zinc/67/57/50/650675750.db2.gz WOIIVLKEXIQHDY-NSHDSACASA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001016014288 650675752 /nfs/dbraw/zinc/67/57/52/650675752.db2.gz WOIIVLKEXIQHDY-NSHDSACASA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016347812 650721073 /nfs/dbraw/zinc/72/10/73/650721073.db2.gz KPQGWYQHCHTKTI-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001016347812 650721076 /nfs/dbraw/zinc/72/10/76/650721076.db2.gz KPQGWYQHCHTKTI-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO Cc1ccc2c([n-]cc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2=O)[nH+]1 ZINC000834521226 642602519 /nfs/dbraw/zinc/60/25/19/642602519.db2.gz FGOQOGNYWOBAMR-SKDRFNHKSA-N 1 2 297.318 0.485 20 30 CCEDLO Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c2=O ZINC000834521226 642602526 /nfs/dbraw/zinc/60/25/26/642602526.db2.gz FGOQOGNYWOBAMR-SKDRFNHKSA-N 1 2 297.318 0.485 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#CC1CC1 ZINC000837629914 642758288 /nfs/dbraw/zinc/75/82/88/642758288.db2.gz LMTBUQJSWTURCM-TZMCWYRMSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017505237 650806935 /nfs/dbraw/zinc/80/69/35/650806935.db2.gz RILBWYNQURMZGY-OKILXGFUSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017505237 650806939 /nfs/dbraw/zinc/80/69/39/650806939.db2.gz RILBWYNQURMZGY-OKILXGFUSA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncnc1 ZINC001017510381 650807212 /nfs/dbraw/zinc/80/72/12/650807212.db2.gz JPNSWLFAOIJVBU-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncnc1 ZINC001017510381 650807214 /nfs/dbraw/zinc/80/72/14/650807214.db2.gz JPNSWLFAOIJVBU-GASCZTMLSA-N 1 2 284.363 0.718 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1C ZINC001017519856 650808674 /nfs/dbraw/zinc/80/86/74/650808674.db2.gz XZELYJHUIIBJFD-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnn1C ZINC001017519856 650808677 /nfs/dbraw/zinc/80/86/77/650808677.db2.gz XZELYJHUIIBJFD-PHIMTYICSA-N 1 2 261.329 0.290 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccnn1C ZINC001017560225 650810970 /nfs/dbraw/zinc/81/09/70/650810970.db2.gz CQZAJGAKJUUAQF-MELADBBJSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccnn1C ZINC001017560225 650810972 /nfs/dbraw/zinc/81/09/72/650810972.db2.gz CQZAJGAKJUUAQF-MELADBBJSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001017567236 650811162 /nfs/dbraw/zinc/81/11/62/650811162.db2.gz FCBLUUTZGNNPJQ-XPCVCDNBSA-N 1 2 260.337 0.331 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001017567236 650811164 /nfs/dbraw/zinc/81/11/64/650811164.db2.gz FCBLUUTZGNNPJQ-XPCVCDNBSA-N 1 2 260.337 0.331 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nc[nH]c2n1 ZINC001017647094 650816262 /nfs/dbraw/zinc/81/62/62/650816262.db2.gz LUKAIVGQBVUEBQ-TXEJJXNPSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nc[nH]c2n1 ZINC001017647094 650816263 /nfs/dbraw/zinc/81/62/63/650816263.db2.gz LUKAIVGQBVUEBQ-TXEJJXNPSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)[nH]1 ZINC001017890771 650832881 /nfs/dbraw/zinc/83/28/81/650832881.db2.gz JOAOYNDSVGEONQ-TXEJJXNPSA-N 1 2 288.351 0.438 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]n1 ZINC001017964500 650837715 /nfs/dbraw/zinc/83/77/15/650837715.db2.gz CRDKEPOYGRNCTH-BETUJISGSA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]n1 ZINC001017964500 650837719 /nfs/dbraw/zinc/83/77/19/650837719.db2.gz CRDKEPOYGRNCTH-BETUJISGSA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]nn1 ZINC001017964500 650837722 /nfs/dbraw/zinc/83/77/22/650837722.db2.gz CRDKEPOYGRNCTH-BETUJISGSA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]nn1 ZINC001017964500 650837725 /nfs/dbraw/zinc/83/77/25/650837725.db2.gz CRDKEPOYGRNCTH-BETUJISGSA-N 1 2 275.356 0.599 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001018078473 650842191 /nfs/dbraw/zinc/84/21/91/650842191.db2.gz VFNNXDONDPXNIV-PHIMTYICSA-N 1 2 259.313 0.117 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001018078473 650842193 /nfs/dbraw/zinc/84/21/93/650842193.db2.gz VFNNXDONDPXNIV-PHIMTYICSA-N 1 2 259.313 0.117 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001018633100 650887517 /nfs/dbraw/zinc/88/75/17/650887517.db2.gz UCZDXOHKISNIMF-SFYZADRCSA-N 1 2 299.281 0.857 20 30 CCEDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000860250355 644783335 /nfs/dbraw/zinc/78/33/35/644783335.db2.gz XHGOXTSEBQNUJE-GFCCVEGCSA-N 1 2 289.335 0.760 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000860250355 644783339 /nfs/dbraw/zinc/78/33/39/644783339.db2.gz XHGOXTSEBQNUJE-GFCCVEGCSA-N 1 2 289.335 0.760 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000279170231 650976902 /nfs/dbraw/zinc/97/69/02/650976902.db2.gz CTBQMGAVSJEUSP-NSHDSACASA-N 1 2 270.354 0.825 20 30 CCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865189852 645337631 /nfs/dbraw/zinc/33/76/31/645337631.db2.gz MZQNZAAAWZDZET-SNVBAGLBSA-N 1 2 263.297 0.290 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC1 ZINC000874710392 646483589 /nfs/dbraw/zinc/48/35/89/646483589.db2.gz IAMMITHCIIEKGI-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#CC1CC1 ZINC000874710392 646483594 /nfs/dbraw/zinc/48/35/94/646483594.db2.gz IAMMITHCIIEKGI-ZDUSSCGKSA-N 1 2 250.342 0.627 20 30 CCEDLO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1cnc[nH]1 ZINC000876882246 646689818 /nfs/dbraw/zinc/68/98/18/646689818.db2.gz DMEFRYUBXFZJPD-CQSZACIVSA-N 1 2 281.319 0.785 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC3)CC2)cc1 ZINC000879584614 647078541 /nfs/dbraw/zinc/07/85/41/647078541.db2.gz DXVIXSBQYVGXFX-UHFFFAOYSA-N 1 2 284.363 0.913 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189924 647168106 /nfs/dbraw/zinc/16/81/06/647168106.db2.gz SSFOKWNNMGPTEH-KBPBESRZSA-N 1 2 270.336 0.589 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189924 647168107 /nfs/dbraw/zinc/16/81/07/647168107.db2.gz SSFOKWNNMGPTEH-KBPBESRZSA-N 1 2 270.336 0.589 20 30 CCEDLO CC(C)(C#N)CC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880400608 647195136 /nfs/dbraw/zinc/19/51/36/647195136.db2.gz KIKPEMGUKBMSDC-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO CC(C)(C#N)CC[N@H+]1CCC(=O)NCC12COC2 ZINC000880400608 647195140 /nfs/dbraw/zinc/19/51/40/647195140.db2.gz KIKPEMGUKBMSDC-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO CS(=O)(=O)N1CC(C[N@H+](CC#N)C2CCCC2)C1 ZINC000929685426 648779424 /nfs/dbraw/zinc/77/94/24/648779424.db2.gz NVLPZRXSYZZZME-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO CS(=O)(=O)N1CC(C[N@@H+](CC#N)C2CCCC2)C1 ZINC000929685426 648779427 /nfs/dbraw/zinc/77/94/27/648779427.db2.gz NVLPZRXSYZZZME-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930135072 648829253 /nfs/dbraw/zinc/82/92/53/648829253.db2.gz KUCYOVFAZAJVON-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930135072 648829257 /nfs/dbraw/zinc/82/92/57/648829257.db2.gz KUCYOVFAZAJVON-TUKIKUTGSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C#N)n2)CCO1 ZINC000931803665 649029503 /nfs/dbraw/zinc/02/95/03/649029503.db2.gz HZEVPYURISTCGW-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#N)n2)CCO1 ZINC000931803665 649029507 /nfs/dbraw/zinc/02/95/07/649029507.db2.gz HZEVPYURISTCGW-LLVKDONJSA-N 1 2 289.339 0.795 20 30 CCEDLO N#C[C@@H]1CCCN(CC(O)C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932151724 649054299 /nfs/dbraw/zinc/05/42/99/649054299.db2.gz FLXNYNIKUHSRAS-KBPBESRZSA-N 1 2 276.384 0.818 20 30 CCEDLO N#C[C@@H]1CCCN(CC(O)C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932151724 649054300 /nfs/dbraw/zinc/05/43/00/649054300.db2.gz FLXNYNIKUHSRAS-KBPBESRZSA-N 1 2 276.384 0.818 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631325 649131075 /nfs/dbraw/zinc/13/10/75/649131075.db2.gz JBIAVMHWIDHBOV-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631325 649131077 /nfs/dbraw/zinc/13/10/77/649131077.db2.gz JBIAVMHWIDHBOV-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC000933984055 649151845 /nfs/dbraw/zinc/15/18/45/649151845.db2.gz ZFBROIRGWWWBGV-LBPRGKRZSA-N 1 2 293.396 0.540 20 30 CCEDLO Cn1cc([C@@H]2CSCCC[N@H+]2CC(=O)NCC#N)cn1 ZINC000933984055 649151849 /nfs/dbraw/zinc/15/18/49/649151849.db2.gz ZFBROIRGWWWBGV-LBPRGKRZSA-N 1 2 293.396 0.540 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158210250 649304026 /nfs/dbraw/zinc/30/40/26/649304026.db2.gz SAMGMNLEOADQAW-UHFFFAOYSA-N 1 2 263.297 0.395 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[n+]([O-])cc1 ZINC001017326509 649729879 /nfs/dbraw/zinc/72/98/79/649729879.db2.gz DEBRHESTZKWRRN-GASCZTMLSA-N 1 2 285.347 0.632 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[n+]([O-])cc1 ZINC001017326509 649729882 /nfs/dbraw/zinc/72/98/82/649729882.db2.gz DEBRHESTZKWRRN-GASCZTMLSA-N 1 2 285.347 0.632 20 30 CCEDLO COc1ncc(OC)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001230520370 805607575 /nfs/dbraw/zinc/60/75/75/805607575.db2.gz QYMIVMOMYJQKIQ-ADAFDVPTSA-N 1 2 293.323 0.485 20 30 CCEDLO COc1ncc(OC)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001230520370 805607580 /nfs/dbraw/zinc/60/75/80/805607580.db2.gz QYMIVMOMYJQKIQ-ADAFDVPTSA-N 1 2 293.323 0.485 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633070 805637029 /nfs/dbraw/zinc/63/70/29/805637029.db2.gz CMQLUKPFQZYLAL-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633070 805637032 /nfs/dbraw/zinc/63/70/32/805637032.db2.gz CMQLUKPFQZYLAL-QWHCGFSZSA-N 1 2 279.384 0.457 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001266270941 790371341 /nfs/dbraw/zinc/37/13/41/790371341.db2.gz DOXZGNDUNNMBIL-UWVGGRQHSA-N 1 2 289.326 0.238 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001266270941 790371349 /nfs/dbraw/zinc/37/13/49/790371349.db2.gz DOXZGNDUNNMBIL-UWVGGRQHSA-N 1 2 289.326 0.238 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001266282483 790393069 /nfs/dbraw/zinc/39/30/69/790393069.db2.gz DHDGOHBEPXSOIX-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001266282483 790393083 /nfs/dbraw/zinc/39/30/83/790393083.db2.gz DHDGOHBEPXSOIX-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO CCOC1CC(C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001266283763 790397482 /nfs/dbraw/zinc/39/74/82/790397482.db2.gz VDTDKTGORLNVBB-UHFFFAOYSA-N 1 2 294.399 0.059 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039026343 790405367 /nfs/dbraw/zinc/40/53/67/790405367.db2.gz TUQPGLSMLJVURC-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001039026343 790405369 /nfs/dbraw/zinc/40/53/69/790405369.db2.gz TUQPGLSMLJVURC-GFCCVEGCSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266299722 790460173 /nfs/dbraw/zinc/46/01/73/790460173.db2.gz XBHXBYASRSPJHG-NEPJUHHUSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266299722 790460177 /nfs/dbraw/zinc/46/01/77/790460177.db2.gz XBHXBYASRSPJHG-NEPJUHHUSA-N 1 2 289.335 0.222 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001266304605 790473304 /nfs/dbraw/zinc/47/33/04/790473304.db2.gz BWYJEVQSESCPMR-WDEREUQCSA-N 1 2 285.413 0.231 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001266304605 790473314 /nfs/dbraw/zinc/47/33/14/790473314.db2.gz BWYJEVQSESCPMR-WDEREUQCSA-N 1 2 285.413 0.231 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001266308007 790482816 /nfs/dbraw/zinc/48/28/16/790482816.db2.gz OEKHCWPVRZUCRX-GFCCVEGCSA-N 1 2 277.372 0.955 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001266308007 790482820 /nfs/dbraw/zinc/48/28/20/790482820.db2.gz OEKHCWPVRZUCRX-GFCCVEGCSA-N 1 2 277.372 0.955 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001266308213 790483425 /nfs/dbraw/zinc/48/34/25/790483425.db2.gz RPPHKEDHVQCDBU-GFCCVEGCSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001266308213 790483433 /nfs/dbraw/zinc/48/34/33/790483433.db2.gz RPPHKEDHVQCDBU-GFCCVEGCSA-N 1 2 267.373 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)co1 ZINC001266311980 790486971 /nfs/dbraw/zinc/48/69/71/790486971.db2.gz OEOJNAKFUSMFQF-UHFFFAOYSA-N 1 2 279.340 0.552 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)co1 ZINC001266311980 790486974 /nfs/dbraw/zinc/48/69/74/790486974.db2.gz OEOJNAKFUSMFQF-UHFFFAOYSA-N 1 2 279.340 0.552 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001266345433 790555148 /nfs/dbraw/zinc/55/51/48/790555148.db2.gz UBSIBAVKAQVUCG-CHWSQXEVSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001266345433 790555152 /nfs/dbraw/zinc/55/51/52/790555152.db2.gz UBSIBAVKAQVUCG-CHWSQXEVSA-N 1 2 289.379 0.117 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2oncc2C)C1 ZINC001266349994 790565759 /nfs/dbraw/zinc/56/57/59/790565759.db2.gz OSPUGXUGUYWWFU-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2oncc2C)C1 ZINC001266349994 790565770 /nfs/dbraw/zinc/56/57/70/790565770.db2.gz OSPUGXUGUYWWFU-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN4C(=O)COC[C@H]4C3)c12 ZINC001167226572 790713005 /nfs/dbraw/zinc/71/30/05/790713005.db2.gz OKZPTCOPAFKQSZ-LLVKDONJSA-N 1 2 297.318 0.482 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266457647 790750062 /nfs/dbraw/zinc/75/00/62/790750062.db2.gz LPJMKXWKEHLRSS-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266457647 790750070 /nfs/dbraw/zinc/75/00/70/790750070.db2.gz LPJMKXWKEHLRSS-VXGBXAGGSA-N 1 2 292.383 0.253 20 30 CCEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccnc1C#N ZINC001210141679 790799625 /nfs/dbraw/zinc/79/96/25/790799625.db2.gz YEESTZQREIAFPK-UHFFFAOYSA-N 1 2 257.253 0.898 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)COCC ZINC001230694358 805648258 /nfs/dbraw/zinc/64/82/58/805648258.db2.gz BJDCDWIJQRKMGB-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)COCC ZINC001230694358 805648262 /nfs/dbraw/zinc/64/82/62/805648262.db2.gz BJDCDWIJQRKMGB-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231079384 805725564 /nfs/dbraw/zinc/72/55/64/805725564.db2.gz GUWUODUWXNZVBY-CQSZACIVSA-N 1 2 282.384 0.596 20 30 CCEDLO CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231079384 805725568 /nfs/dbraw/zinc/72/55/68/805725568.db2.gz GUWUODUWXNZVBY-CQSZACIVSA-N 1 2 282.384 0.596 20 30 CCEDLO CC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231104348 805730385 /nfs/dbraw/zinc/73/03/85/805730385.db2.gz XLYLQGWSGIDSIC-UONOGXRCSA-N 1 2 282.384 0.594 20 30 CCEDLO CC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231104348 805730389 /nfs/dbraw/zinc/73/03/89/805730389.db2.gz XLYLQGWSGIDSIC-UONOGXRCSA-N 1 2 282.384 0.594 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001231121724 805734914 /nfs/dbraw/zinc/73/49/14/805734914.db2.gz HLJYSSGXUXDJBJ-GHMZBOCLSA-N 1 2 253.346 0.359 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001231121724 805734916 /nfs/dbraw/zinc/73/49/16/805734916.db2.gz HLJYSSGXUXDJBJ-GHMZBOCLSA-N 1 2 253.346 0.359 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001277593789 805876841 /nfs/dbraw/zinc/87/68/41/805876841.db2.gz MUPFSMZQNMJRJS-GFCCVEGCSA-N 1 2 252.358 0.823 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001277652201 805926295 /nfs/dbraw/zinc/92/62/95/805926295.db2.gz OWBLZXCAEYFESV-UHFFFAOYSA-N 1 2 294.355 0.085 20 30 CCEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673732 805967163 /nfs/dbraw/zinc/96/71/63/805967163.db2.gz LYUZSEZUGQGWIV-CABCVRRESA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673732 805967168 /nfs/dbraw/zinc/96/71/68/805967168.db2.gz LYUZSEZUGQGWIV-CABCVRRESA-N 1 2 276.336 0.829 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCCc1ccc(Cl)cc1 ZINC000121406597 791223483 /nfs/dbraw/zinc/22/34/83/791223483.db2.gz CLXWDZDGZMFVNK-UHFFFAOYSA-N 1 2 299.758 0.670 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001267009208 791440157 /nfs/dbraw/zinc/44/01/57/791440157.db2.gz TYZNYGGWEKSWCF-GWCFXTLKSA-N 1 2 296.396 0.556 20 30 CCEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NCC#N ZINC001267133943 791578923 /nfs/dbraw/zinc/57/89/23/791578923.db2.gz OJIHQBRAWZPJEV-NWDGAFQWSA-N 1 2 275.356 0.453 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C12CCC(CC1)C2 ZINC001267203518 791668313 /nfs/dbraw/zinc/66/83/13/791668313.db2.gz TTZOYAFFQUXFDW-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C12CCC(CC1)C2 ZINC001267203518 791668321 /nfs/dbraw/zinc/66/83/21/791668321.db2.gz TTZOYAFFQUXFDW-UHFFFAOYSA-N 1 2 293.411 0.917 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233769434 806120164 /nfs/dbraw/zinc/12/01/64/806120164.db2.gz AYJUJQMKEWDMLD-KGLIPLIRSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233769434 806120166 /nfs/dbraw/zinc/12/01/66/806120166.db2.gz AYJUJQMKEWDMLD-KGLIPLIRSA-N 1 2 293.411 0.847 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233857642 806133712 /nfs/dbraw/zinc/13/37/12/806133712.db2.gz OGSJAXIHRRSVHW-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233857642 806133717 /nfs/dbraw/zinc/13/37/17/806133717.db2.gz OGSJAXIHRRSVHW-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234171652 806195803 /nfs/dbraw/zinc/19/58/03/806195803.db2.gz RKTLQMVMUNIDLD-CHWSQXEVSA-N 1 2 279.384 0.442 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234171652 806195806 /nfs/dbraw/zinc/19/58/06/806195806.db2.gz RKTLQMVMUNIDLD-CHWSQXEVSA-N 1 2 279.384 0.442 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001234267393 806216218 /nfs/dbraw/zinc/21/62/18/806216218.db2.gz YMNSHKFSOVEVJF-RYUDHWBXSA-N 1 2 256.321 0.527 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001234267393 806216224 /nfs/dbraw/zinc/21/62/24/806216224.db2.gz YMNSHKFSOVEVJF-RYUDHWBXSA-N 1 2 256.321 0.527 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NCC#N ZINC001277962469 806492849 /nfs/dbraw/zinc/49/28/49/806492849.db2.gz ISMGDOKPMPKPBM-WDEREUQCSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NCC#N ZINC001277962469 806492853 /nfs/dbraw/zinc/49/28/53/806492853.db2.gz ISMGDOKPMPKPBM-WDEREUQCSA-N 1 2 263.345 0.548 20 30 CCEDLO CC[N@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235691896 806492860 /nfs/dbraw/zinc/49/28/60/806492860.db2.gz YCDWOJYQXPNJQV-USZNOCQGSA-N 1 2 270.329 0.459 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235691896 806492865 /nfs/dbraw/zinc/49/28/65/806492865.db2.gz YCDWOJYQXPNJQV-USZNOCQGSA-N 1 2 270.329 0.459 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1ncccn1 ZINC001235697646 806494452 /nfs/dbraw/zinc/49/44/52/806494452.db2.gz BPHLKXXIYPABBV-UHFFFAOYSA-N 1 2 278.356 0.617 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1ncccn1 ZINC001235697646 806494460 /nfs/dbraw/zinc/49/44/60/806494460.db2.gz BPHLKXXIYPABBV-UHFFFAOYSA-N 1 2 278.356 0.617 20 30 CCEDLO CC1(NC(=O)C#CC2CC2)CC[NH+](Cc2cnon2)CC1 ZINC001278050850 806639716 /nfs/dbraw/zinc/63/97/16/806639716.db2.gz AATOHZOMKWWFPA-UHFFFAOYSA-N 1 2 288.351 0.954 20 30 CCEDLO CCn1c[nH+]cc1CN1CCN(c2nccnc2C#N)CC1 ZINC001237597709 806692860 /nfs/dbraw/zinc/69/28/60/806692860.db2.gz UOUOGXBOGLVHPQ-UHFFFAOYSA-N 1 2 297.366 0.887 20 30 CCEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)cn2c1 ZINC001237608183 806699965 /nfs/dbraw/zinc/69/99/65/806699965.db2.gz FDHGTVVPARUYAD-JSGCOSHPSA-N 1 2 286.335 0.381 20 30 CCEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)cn2c1 ZINC001237608183 806699971 /nfs/dbraw/zinc/69/99/71/806699971.db2.gz FDHGTVVPARUYAD-JSGCOSHPSA-N 1 2 286.335 0.381 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123724841 799461090 /nfs/dbraw/zinc/46/10/90/799461090.db2.gz LGOVFRXMBUKXLW-UHFFFAOYSA-N 1 2 291.355 0.615 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123799502 799477313 /nfs/dbraw/zinc/47/73/13/799477313.db2.gz URZPBPJMSCOKLC-SECBINFHSA-N 1 2 297.384 0.656 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001124764751 799633944 /nfs/dbraw/zinc/63/39/44/799633944.db2.gz BXNWCUIWUDUSQR-UHFFFAOYSA-N 1 2 253.302 0.391 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124907872 799645885 /nfs/dbraw/zinc/64/58/85/799645885.db2.gz BDTXWNQMHKHWCQ-YUMQZZPRSA-N 1 2 251.290 0.305 20 30 CCEDLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001124988321 799649972 /nfs/dbraw/zinc/64/99/72/799649972.db2.gz IRGSLZXQBAFUQW-PWSUYJOCSA-N 1 2 291.355 0.200 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(Cl)nc2)CC1 ZINC001139992320 799863833 /nfs/dbraw/zinc/86/38/33/799863833.db2.gz ZYHQRMRTHGQYCH-UHFFFAOYSA-N 1 2 250.733 0.881 20 30 CCEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccncc2O)CC1 ZINC001140276892 799899574 /nfs/dbraw/zinc/89/95/74/799899574.db2.gz NKMNFXAPIBYWRJ-UHFFFAOYSA-N 1 2 296.334 0.771 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)CCCO1 ZINC001140546851 799921336 /nfs/dbraw/zinc/92/13/36/799921336.db2.gz WYNGRXVDPHLMCB-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCCO1 ZINC001140546851 799921342 /nfs/dbraw/zinc/92/13/42/799921342.db2.gz WYNGRXVDPHLMCB-ZDUSSCGKSA-N 1 2 275.308 0.717 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cnc(C(=O)OC)cn2)CC1 ZINC001141830327 800039540 /nfs/dbraw/zinc/03/95/40/800039540.db2.gz KEUVGJVPIKUKFH-UHFFFAOYSA-N 1 2 274.324 0.014 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155201812 800930929 /nfs/dbraw/zinc/93/09/29/800930929.db2.gz SAIXBMKVLHIOAI-SNVBAGLBSA-N 1 2 286.339 0.525 20 30 CCEDLO CCc1nc(C#N)c(C#N)nc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155201812 800930932 /nfs/dbraw/zinc/93/09/32/800930932.db2.gz SAIXBMKVLHIOAI-SNVBAGLBSA-N 1 2 286.339 0.525 20 30 CCEDLO CNC(=O)c1nc(N2CC[NH2+]C[C@@H]2C#N)ccc1Cl ZINC001156319785 801149888 /nfs/dbraw/zinc/14/98/88/801149888.db2.gz FMNLWUYKORMPKN-QMMMGPOBSA-N 1 2 279.731 0.396 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001157026338 801290223 /nfs/dbraw/zinc/29/02/23/801290223.db2.gz ZNZFOMIVNYXPEH-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001157026338 801290229 /nfs/dbraw/zinc/29/02/29/801290229.db2.gz ZNZFOMIVNYXPEH-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C#N)c(C)n2)C[NH2+]1 ZINC001158255581 801607300 /nfs/dbraw/zinc/60/73/00/801607300.db2.gz YKVHFTBVACRRDV-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(Cl)c(N)[nH+]1 ZINC001160178554 801917491 /nfs/dbraw/zinc/91/74/91/801917491.db2.gz KHYHRMXEBVWRMN-XNCJUZBTSA-N 1 2 256.693 0.965 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C#N)cc1C#N ZINC001161945039 802251913 /nfs/dbraw/zinc/25/19/13/802251913.db2.gz CKJFVHJQTXHFLR-SNVBAGLBSA-N 1 2 259.269 0.127 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(Cl)c1C#N ZINC001161946494 802253235 /nfs/dbraw/zinc/25/32/35/802253235.db2.gz ZNQRIAYMMXFWHS-SECBINFHSA-N 1 2 268.704 0.909 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ccc(Cl)c(C#N)n1 ZINC001161946466 802253464 /nfs/dbraw/zinc/25/34/64/802253464.db2.gz YVRMVUFSCBYEOC-MRVPVSSYSA-N 1 2 268.704 0.909 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC001161949634 802255903 /nfs/dbraw/zinc/25/59/03/802255903.db2.gz BNPHSWGLPHDUEG-LLVKDONJSA-N 1 2 274.324 0.744 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001278850738 808332164 /nfs/dbraw/zinc/33/21/64/808332164.db2.gz IMHNFIGXVYLMMF-LLVKDONJSA-N 1 2 250.342 0.219 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCCNCC#N ZINC001163275168 802526175 /nfs/dbraw/zinc/52/61/75/802526175.db2.gz RZIARSZJEFSTPL-ZDUSSCGKSA-N 1 2 282.388 0.107 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCCNCC#N ZINC001163275168 802526180 /nfs/dbraw/zinc/52/61/80/802526180.db2.gz RZIARSZJEFSTPL-ZDUSSCGKSA-N 1 2 282.388 0.107 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001264366858 809644681 /nfs/dbraw/zinc/64/46/81/809644681.db2.gz MVWWSMVHESNVBM-WDEREUQCSA-N 1 2 267.373 0.605 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001264366858 809644689 /nfs/dbraw/zinc/64/46/89/809644689.db2.gz MVWWSMVHESNVBM-WDEREUQCSA-N 1 2 267.373 0.605 20 30 CCEDLO COC(=O)c1cc(N2CC[NH2+]C[C@H]2C#N)ncc1F ZINC001164642874 802774211 /nfs/dbraw/zinc/77/42/11/802774211.db2.gz ZVQASRLWQSPBQS-MRVPVSSYSA-N 1 2 264.260 0.309 20 30 CCEDLO Cc1nc(N2CCCC2)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001164641877 802774598 /nfs/dbraw/zinc/77/45/98/802774598.db2.gz OFUGVRDRHAIDTQ-LBPRGKRZSA-N 1 2 272.356 0.687 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(-c2nnco2)ccn1 ZINC001164660788 802776511 /nfs/dbraw/zinc/77/65/11/802776511.db2.gz ITUITPVCVMHCSG-SNVBAGLBSA-N 1 2 256.269 0.433 20 30 CCEDLO CCN(C(=O)CC1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267780942 811783118 /nfs/dbraw/zinc/78/31/18/811783118.db2.gz YIHGQLNSYIRQQW-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C(=O)CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267780942 811783124 /nfs/dbraw/zinc/78/31/24/811783124.db2.gz YIHGQLNSYIRQQW-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001206306870 803226606 /nfs/dbraw/zinc/22/66/06/803226606.db2.gz OJSGVJSZUFDXSN-ZYHUDNBSSA-N 1 2 292.339 0.027 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001206306870 803226614 /nfs/dbraw/zinc/22/66/14/803226614.db2.gz OJSGVJSZUFDXSN-ZYHUDNBSSA-N 1 2 292.339 0.027 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001206876881 803296773 /nfs/dbraw/zinc/29/67/73/803296773.db2.gz OOTYKLVULKRTII-IJLUTSLNSA-N 1 2 292.383 0.109 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001206876881 803296781 /nfs/dbraw/zinc/29/67/81/803296781.db2.gz OOTYKLVULKRTII-IJLUTSLNSA-N 1 2 292.383 0.109 20 30 CCEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC001207110461 803355150 /nfs/dbraw/zinc/35/51/50/803355150.db2.gz NNJYNHVSMFMKOS-NSHDSACASA-N 1 2 260.341 0.949 20 30 CCEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC001207110461 803355154 /nfs/dbraw/zinc/35/51/54/803355154.db2.gz NNJYNHVSMFMKOS-NSHDSACASA-N 1 2 260.341 0.949 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001208984593 803562181 /nfs/dbraw/zinc/56/21/81/803562181.db2.gz FKBXZUVYTGCQSF-JHJVBQTASA-N 1 2 275.356 0.794 20 30 CCEDLO C=CCN(CC[NH+]1CC(N2CCOCC2)C1)C(=O)OCC ZINC001209022274 803564864 /nfs/dbraw/zinc/56/48/64/803564864.db2.gz UDHRQSVCERJVLP-UHFFFAOYSA-N 1 2 297.399 0.647 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)[C@H](OC)C1 ZINC001213358669 803691133 /nfs/dbraw/zinc/69/11/33/803691133.db2.gz NWLNYYTUBILWPL-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)[C@H](OC)C1 ZINC001213358669 803691129 /nfs/dbraw/zinc/69/11/29/803691129.db2.gz NWLNYYTUBILWPL-VXGBXAGGSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)COC)[C@H]2C1 ZINC001218368709 803951274 /nfs/dbraw/zinc/95/12/74/803951274.db2.gz CRDNFLLYOMZXMQ-UONOGXRCSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)COC)[C@H]2C1 ZINC001218368709 803951280 /nfs/dbraw/zinc/95/12/80/803951280.db2.gz CRDNFLLYOMZXMQ-UONOGXRCSA-N 1 2 294.395 0.594 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1O ZINC001219312709 804266117 /nfs/dbraw/zinc/26/61/17/804266117.db2.gz NLAFMGXFFIDUIJ-MJBXVCDLSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1O ZINC001219312709 804266123 /nfs/dbraw/zinc/26/61/23/804266123.db2.gz NLAFMGXFFIDUIJ-MJBXVCDLSA-N 1 2 280.368 0.152 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219346742 804281866 /nfs/dbraw/zinc/28/18/66/804281866.db2.gz UMMZHXXPGMWCDF-XQQFMLRXSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219346742 804281871 /nfs/dbraw/zinc/28/18/71/804281871.db2.gz UMMZHXXPGMWCDF-XQQFMLRXSA-N 1 2 297.399 0.029 20 30 CCEDLO Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587736 804361017 /nfs/dbraw/zinc/36/10/17/804361017.db2.gz SQELWLATYDPXTQ-KGLIPLIRSA-N 1 2 291.351 0.304 20 30 CCEDLO Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219587736 804361027 /nfs/dbraw/zinc/36/10/27/804361027.db2.gz SQELWLATYDPXTQ-KGLIPLIRSA-N 1 2 291.351 0.304 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220201467 804536141 /nfs/dbraw/zinc/53/61/41/804536141.db2.gz QVWCDCFVMLDQOP-KFWWJZLASA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220201467 804536144 /nfs/dbraw/zinc/53/61/44/804536144.db2.gz QVWCDCFVMLDQOP-KFWWJZLASA-N 1 2 294.395 0.400 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)C2CC2)[C@@H](O)C1 ZINC001221108154 804732435 /nfs/dbraw/zinc/73/24/35/804732435.db2.gz QOHVATCUZOHUFW-YUELXQCFSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)C2CC2)[C@@H](O)C1 ZINC001221108154 804732443 /nfs/dbraw/zinc/73/24/43/804732443.db2.gz QOHVATCUZOHUFW-YUELXQCFSA-N 1 2 294.395 0.234 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001221145975 804735923 /nfs/dbraw/zinc/73/59/23/804735923.db2.gz RGGDNQCAUNJJLG-UMOJZNBSSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001221145975 804735928 /nfs/dbraw/zinc/73/59/28/804735928.db2.gz RGGDNQCAUNJJLG-UMOJZNBSSA-N 1 2 288.775 0.491 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1CC#N ZINC001088635801 815044051 /nfs/dbraw/zinc/04/40/51/815044051.db2.gz PYZBYAZQTMFFOG-KKOKHZNYSA-N 1 2 273.340 0.616 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1CC#N ZINC001088635801 815044056 /nfs/dbraw/zinc/04/40/56/815044056.db2.gz PYZBYAZQTMFFOG-KKOKHZNYSA-N 1 2 273.340 0.616 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001276908313 804985069 /nfs/dbraw/zinc/98/50/69/804985069.db2.gz GCGIVGIJEWKYEH-WCQYABFASA-N 1 2 254.305 0.329 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001276908313 804985072 /nfs/dbraw/zinc/98/50/72/804985072.db2.gz GCGIVGIJEWKYEH-WCQYABFASA-N 1 2 254.305 0.329 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001276915923 804988538 /nfs/dbraw/zinc/98/85/38/804988538.db2.gz GBBZVHVBUIEZRZ-KBPBESRZSA-N 1 2 282.384 0.498 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001276915923 804988545 /nfs/dbraw/zinc/98/85/45/804988545.db2.gz GBBZVHVBUIEZRZ-KBPBESRZSA-N 1 2 282.384 0.498 20 30 CCEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cccnn2)C3)C1 ZINC001277205439 805345609 /nfs/dbraw/zinc/34/56/09/805345609.db2.gz KSCDBLGEGNIHDH-AWEZNQCLSA-N 1 2 297.362 0.671 20 30 CCEDLO Cc1cc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)n2n1 ZINC001227682712 805378284 /nfs/dbraw/zinc/37/82/84/805378284.db2.gz GTRJLTSIUGCHBK-NJFCNUMCSA-N 1 2 287.323 0.424 20 30 CCEDLO Cc1cc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)n2n1 ZINC001227682712 805378295 /nfs/dbraw/zinc/37/82/95/805378295.db2.gz GTRJLTSIUGCHBK-NJFCNUMCSA-N 1 2 287.323 0.424 20 30 CCEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)CCC1 ZINC001277359744 805506736 /nfs/dbraw/zinc/50/67/36/805506736.db2.gz ZPMJBKRQTWLUKZ-SWLSCSKDSA-N 1 2 285.351 0.937 20 30 CCEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cn[nH]c2)CCC1 ZINC001277359744 805506744 /nfs/dbraw/zinc/50/67/44/805506744.db2.gz ZPMJBKRQTWLUKZ-SWLSCSKDSA-N 1 2 285.351 0.937 20 30 CCEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001247698427 807478497 /nfs/dbraw/zinc/47/84/97/807478497.db2.gz BPEPGFCVISQZOW-VIFPVBQESA-N 1 2 273.252 0.566 20 30 CCEDLO C=CCCCNC(=S)NC[C@@H]1C[N@H+](C)CCO1 ZINC001247764435 807489461 /nfs/dbraw/zinc/48/94/61/807489461.db2.gz CGPYAHAVOXYAAK-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCCCNC(=S)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001247764435 807489463 /nfs/dbraw/zinc/48/94/63/807489463.db2.gz CGPYAHAVOXYAAK-LLVKDONJSA-N 1 2 257.403 0.747 20 30 CCEDLO N#CC1(NC[C@@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC001251038172 807652268 /nfs/dbraw/zinc/65/22/68/807652268.db2.gz VQCFKLZRUZOCAM-CYBMUJFWSA-N 1 2 267.373 0.496 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001251821757 807709727 /nfs/dbraw/zinc/70/97/27/807709727.db2.gz XFJCWKUQGXLIDF-GFCCVEGCSA-N 1 2 284.356 0.206 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001251847993 807718877 /nfs/dbraw/zinc/71/88/77/807718877.db2.gz QZPGTRZGJCZVMQ-CQSZACIVSA-N 1 2 280.368 0.084 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001251847993 807718878 /nfs/dbraw/zinc/71/88/78/807718878.db2.gz QZPGTRZGJCZVMQ-CQSZACIVSA-N 1 2 280.368 0.084 20 30 CCEDLO C=CCOC[C@@H](O)CN1CCc2[nH+]c(C)[nH]c2C1 ZINC001252470830 807881913 /nfs/dbraw/zinc/88/19/13/807881913.db2.gz QXYIRPDOMAROQO-NSHDSACASA-N 1 2 251.330 0.640 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]Cc1[nH]ncc1C(=O)OCC ZINC001252497869 807896148 /nfs/dbraw/zinc/89/61/48/807896148.db2.gz AONQTJREWFUKTD-JTQLQIEISA-N 1 2 283.328 0.240 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+]Cc1n[nH]cc1C(=O)OCC ZINC001252497869 807896150 /nfs/dbraw/zinc/89/61/50/807896150.db2.gz AONQTJREWFUKTD-JTQLQIEISA-N 1 2 283.328 0.240 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001252548993 807906276 /nfs/dbraw/zinc/90/62/76/807906276.db2.gz YONOULTYHZBYFK-JTQLQIEISA-N 1 2 266.263 0.630 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC001252681987 807939365 /nfs/dbraw/zinc/93/93/65/807939365.db2.gz XWXVMZRLKJQLAY-CYBMUJFWSA-N 1 2 286.372 0.713 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)C(C)C ZINC001253758966 808132910 /nfs/dbraw/zinc/13/29/10/808132910.db2.gz DDAFBVDZURLKAP-ZIAGYGMSSA-N 1 2 294.399 0.934 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)C(C)C ZINC001253758966 808132917 /nfs/dbraw/zinc/13/29/17/808132917.db2.gz DDAFBVDZURLKAP-ZIAGYGMSSA-N 1 2 294.399 0.934 20 30 CCEDLO CCOC(=O)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001255259347 808338327 /nfs/dbraw/zinc/33/83/27/808338327.db2.gz ZMCUSSUEFABEAH-BPCQOVAHSA-N 1 2 265.357 0.906 20 30 CCEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126899560 815203108 /nfs/dbraw/zinc/20/31/08/815203108.db2.gz SJPDNJXSRHVQRG-UHFFFAOYSA-N 1 2 274.324 0.566 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)OCC)C2)CC1 ZINC001256037786 808455947 /nfs/dbraw/zinc/45/59/47/808455947.db2.gz JCFLYEUSUZPNAI-CYBMUJFWSA-N 1 2 265.357 0.468 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001256346753 808510480 /nfs/dbraw/zinc/51/04/80/808510480.db2.gz LIBKDTLCOVZARY-UHFFFAOYSA-N 1 2 271.342 0.059 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001256346753 808510485 /nfs/dbraw/zinc/51/04/85/808510485.db2.gz LIBKDTLCOVZARY-UHFFFAOYSA-N 1 2 271.342 0.059 20 30 CCEDLO COC(=O)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001257862543 808638302 /nfs/dbraw/zinc/63/83/02/808638302.db2.gz XHDUYZBZEBKNLB-MCIGGMRASA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1C#N ZINC001258243191 808666871 /nfs/dbraw/zinc/66/68/71/808666871.db2.gz CPROXCRUCIVXDG-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1C#N ZINC001258243191 808666872 /nfs/dbraw/zinc/66/68/72/808666872.db2.gz CPROXCRUCIVXDG-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001258292200 808669730 /nfs/dbraw/zinc/66/97/30/808669730.db2.gz RNJDIJOKNMWOEY-UHFFFAOYSA-N 1 2 250.342 0.459 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001259123357 808733650 /nfs/dbraw/zinc/73/36/50/808733650.db2.gz WNJAKTAQVIITPE-GFCCVEGCSA-N 1 2 277.349 0.637 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001259123357 808733653 /nfs/dbraw/zinc/73/36/53/808733653.db2.gz WNJAKTAQVIITPE-GFCCVEGCSA-N 1 2 277.349 0.637 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCCC#N)C2 ZINC001261515013 809005203 /nfs/dbraw/zinc/00/52/03/809005203.db2.gz UOCSUVAVALNWMC-GFCCVEGCSA-N 1 2 290.367 0.851 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076229109 815262822 /nfs/dbraw/zinc/26/28/22/815262822.db2.gz XVOKGLFEEZWJHT-SGMGOOAPSA-N 1 2 299.378 0.886 20 30 CCEDLO C=C1CCN(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001262856569 809417624 /nfs/dbraw/zinc/41/76/24/809417624.db2.gz QOIDEFCSOQYOPP-SWLSCSKDSA-N 1 2 291.399 0.883 20 30 CCEDLO C=C1CCN(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001262856569 809417627 /nfs/dbraw/zinc/41/76/27/809417627.db2.gz QOIDEFCSOQYOPP-SWLSCSKDSA-N 1 2 291.399 0.883 20 30 CCEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001076432503 815296689 /nfs/dbraw/zinc/29/66/89/815296689.db2.gz SYZIRIORLIZCEN-LBPRGKRZSA-N 1 2 288.351 0.308 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263835215 809583014 /nfs/dbraw/zinc/58/30/14/809583014.db2.gz KTAYDDKMCJJGLB-KLPPZKSPSA-N 1 2 261.329 0.350 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001263835215 809583019 /nfs/dbraw/zinc/58/30/19/809583019.db2.gz KTAYDDKMCJJGLB-KLPPZKSPSA-N 1 2 261.329 0.350 20 30 CCEDLO CCn1ncc(C[N@H+](C)CCCNC(=O)C#CC(C)C)n1 ZINC001264983540 809687782 /nfs/dbraw/zinc/68/77/82/809687782.db2.gz FMUOQPJGZQXMTL-UHFFFAOYSA-N 1 2 291.399 0.896 20 30 CCEDLO CCn1ncc(C[N@@H+](C)CCCNC(=O)C#CC(C)C)n1 ZINC001264983540 809687787 /nfs/dbraw/zinc/68/77/87/809687787.db2.gz FMUOQPJGZQXMTL-UHFFFAOYSA-N 1 2 291.399 0.896 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001265271051 809739434 /nfs/dbraw/zinc/73/94/34/809739434.db2.gz QMWUFVZERANRRA-VXGBXAGGSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001265271051 809739438 /nfs/dbraw/zinc/73/94/38/809739438.db2.gz QMWUFVZERANRRA-VXGBXAGGSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001265275683 809740238 /nfs/dbraw/zinc/74/02/38/809740238.db2.gz SCTBHLBUNLEUTF-LLVKDONJSA-N 1 2 295.339 0.576 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001265275683 809740243 /nfs/dbraw/zinc/74/02/43/809740243.db2.gz SCTBHLBUNLEUTF-LLVKDONJSA-N 1 2 295.339 0.576 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001265303508 809751873 /nfs/dbraw/zinc/75/18/73/809751873.db2.gz JIXWLRKXYUAWEQ-HZSPNIEDSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001265303508 809751878 /nfs/dbraw/zinc/75/18/78/809751878.db2.gz JIXWLRKXYUAWEQ-HZSPNIEDSA-N 1 2 291.395 0.363 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397406 809771534 /nfs/dbraw/zinc/77/15/34/809771534.db2.gz YLASQKOXMSRBAC-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001265401593 809772842 /nfs/dbraw/zinc/77/28/42/809772842.db2.gz YVRLYSGYMIMXJJ-MCIONIFRSA-N 1 2 291.395 0.600 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001265401593 809772847 /nfs/dbraw/zinc/77/28/47/809772847.db2.gz YVRLYSGYMIMXJJ-MCIONIFRSA-N 1 2 291.395 0.600 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001076782584 815372102 /nfs/dbraw/zinc/37/21/02/815372102.db2.gz QZAJXIGSYNDZOE-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001076782584 815372107 /nfs/dbraw/zinc/37/21/07/815372107.db2.gz QZAJXIGSYNDZOE-RKDXNWHRSA-N 1 2 253.327 0.104 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001076781257 815372921 /nfs/dbraw/zinc/37/29/21/815372921.db2.gz VBFBXXPOOUJSRQ-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001076781257 815372928 /nfs/dbraw/zinc/37/29/28/815372928.db2.gz VBFBXXPOOUJSRQ-NXEZZACHSA-N 1 2 267.354 0.494 20 30 CCEDLO CN(CC[NH2+]Cc1csnn1)C(=O)c1ccc(C#N)[nH]1 ZINC001267363425 811216065 /nfs/dbraw/zinc/21/60/65/811216065.db2.gz FEAJSPAPZMWHLO-UHFFFAOYSA-N 1 2 290.352 0.600 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001077059382 815438895 /nfs/dbraw/zinc/43/88/95/815438895.db2.gz FOEQOXJSDNVKRD-GHMZBOCLSA-N 1 2 298.293 0.076 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001077059382 815438898 /nfs/dbraw/zinc/43/88/98/815438898.db2.gz FOEQOXJSDNVKRD-GHMZBOCLSA-N 1 2 298.293 0.076 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001038300766 811344033 /nfs/dbraw/zinc/34/40/33/811344033.db2.gz OKKUMNRKQTWEPO-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001038300766 811344045 /nfs/dbraw/zinc/34/40/45/811344045.db2.gz OKKUMNRKQTWEPO-LBPRGKRZSA-N 1 2 260.341 0.901 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592217 811425472 /nfs/dbraw/zinc/42/54/72/811425472.db2.gz SOWHKXVGUPJZAY-NSHDSACASA-N 1 2 297.309 0.430 20 30 CCEDLO Cc1cc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)co1 ZINC001267572563 811462897 /nfs/dbraw/zinc/46/28/97/811462897.db2.gz PATDEYZHHXPZEK-UHFFFAOYSA-N 1 2 290.367 0.801 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038329656 811574613 /nfs/dbraw/zinc/57/46/13/811574613.db2.gz UONIQZDPPYGPRK-LLVKDONJSA-N 1 2 275.356 0.470 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001038329656 811574616 /nfs/dbraw/zinc/57/46/16/811574616.db2.gz UONIQZDPPYGPRK-LLVKDONJSA-N 1 2 275.356 0.470 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001077203665 815461279 /nfs/dbraw/zinc/46/12/79/815461279.db2.gz GRYJGXVLJZVLGB-ZIAGYGMSSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001077203665 815461280 /nfs/dbraw/zinc/46/12/80/815461280.db2.gz GRYJGXVLJZVLGB-ZIAGYGMSSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCOCC(F)(F)F)C1 ZINC001267651083 811616762 /nfs/dbraw/zinc/61/67/62/811616762.db2.gz IHYRCNLLGWUKJX-UHFFFAOYSA-N 1 2 278.274 0.779 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 ZINC001267649442 811616840 /nfs/dbraw/zinc/61/68/40/811616840.db2.gz PUPKIAGKGSPGNH-INIZCTEOSA-N 1 2 293.411 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001038340084 811648045 /nfs/dbraw/zinc/64/80/45/811648045.db2.gz KZEPQEBTMAUEIO-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001038340084 811648051 /nfs/dbraw/zinc/64/80/51/811648051.db2.gz KZEPQEBTMAUEIO-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C2CC3(CC3)C2)C1 ZINC001267693309 811658500 /nfs/dbraw/zinc/65/85/00/811658500.db2.gz ZUYKOROLMDAACK-UHFFFAOYSA-N 1 2 291.395 0.527 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOC(C)C ZINC001267702261 811666186 /nfs/dbraw/zinc/66/61/86/811666186.db2.gz HRCBZZHLZJOWDS-STQMWFEESA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOC(C)C ZINC001267702261 811666192 /nfs/dbraw/zinc/66/61/92/811666192.db2.gz HRCBZZHLZJOWDS-STQMWFEESA-N 1 2 250.342 0.720 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267769181 811766407 /nfs/dbraw/zinc/76/64/07/811766407.db2.gz VCQGKINIDDOCQD-SNVBAGLBSA-N 1 2 253.346 0.217 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267769181 811766414 /nfs/dbraw/zinc/76/64/14/811766414.db2.gz VCQGKINIDDOCQD-SNVBAGLBSA-N 1 2 253.346 0.217 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083297195 811824735 /nfs/dbraw/zinc/82/47/35/811824735.db2.gz YLNGCRWECPGDAC-KGLIPLIRSA-N 1 2 273.336 0.630 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083297195 811824741 /nfs/dbraw/zinc/82/47/41/811824741.db2.gz YLNGCRWECPGDAC-KGLIPLIRSA-N 1 2 273.336 0.630 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001077313151 815479114 /nfs/dbraw/zinc/47/91/14/815479114.db2.gz JTSFOFJLYULBHS-HUUCEWRRSA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001077313151 815479119 /nfs/dbraw/zinc/47/91/19/815479119.db2.gz JTSFOFJLYULBHS-HUUCEWRRSA-N 1 2 285.347 0.367 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(CNCC#N)C1CC1 ZINC001267860732 811840464 /nfs/dbraw/zinc/84/04/64/811840464.db2.gz QNKFOLAFBLBHRK-XHDPSFHLSA-N 1 2 289.383 0.986 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(CNCC#N)C1CC1 ZINC001267860732 811840471 /nfs/dbraw/zinc/84/04/71/811840471.db2.gz QNKFOLAFBLBHRK-XHDPSFHLSA-N 1 2 289.383 0.986 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001077364320 815486167 /nfs/dbraw/zinc/48/61/67/815486167.db2.gz LXQGEQCCYVTBGW-HUUCEWRRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001077364320 815486170 /nfs/dbraw/zinc/48/61/70/815486170.db2.gz LXQGEQCCYVTBGW-HUUCEWRRSA-N 1 2 298.346 0.279 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125978612 811960230 /nfs/dbraw/zinc/96/02/30/811960230.db2.gz VLHOEDLWGGKCSD-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccn(C)n2)C1 ZINC001268022810 811976317 /nfs/dbraw/zinc/97/63/17/811976317.db2.gz YONKJQSZAPBVGB-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2ccn(C)n2)C1 ZINC001268022810 811976321 /nfs/dbraw/zinc/97/63/21/811976321.db2.gz YONKJQSZAPBVGB-AWEZNQCLSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001268029064 812019909 /nfs/dbraw/zinc/01/99/09/812019909.db2.gz BYGJQZILCYRUDP-JSGCOSHPSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001268029064 812019917 /nfs/dbraw/zinc/01/99/17/812019917.db2.gz BYGJQZILCYRUDP-JSGCOSHPSA-N 1 2 268.357 0.416 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001038151805 812160554 /nfs/dbraw/zinc/16/05/54/812160554.db2.gz JPZNBTNPZCHCKR-ZDUSSCGKSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001038151805 812160562 /nfs/dbraw/zinc/16/05/62/812160562.db2.gz JPZNBTNPZCHCKR-ZDUSSCGKSA-N 1 2 298.350 0.624 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038899203 812322244 /nfs/dbraw/zinc/32/22/44/812322244.db2.gz LJDIYHFEEOWWEC-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038899203 812322248 /nfs/dbraw/zinc/32/22/48/812322248.db2.gz LJDIYHFEEOWWEC-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC1C[NH+](C[C@@H](C)O)C1)OCC ZINC001268309959 812472590 /nfs/dbraw/zinc/47/25/90/812472590.db2.gz BFXZFKSYMSMOCK-DGCLKSJQSA-N 1 2 270.373 0.539 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)C1 ZINC001268491118 812684429 /nfs/dbraw/zinc/68/44/29/812684429.db2.gz DETJAPGPYHGZOA-UKRRQHHQSA-N 1 2 294.395 0.784 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001127045469 815599451 /nfs/dbraw/zinc/59/94/51/815599451.db2.gz BNXDYYBQEVLLKG-RYUDHWBXSA-N 1 2 279.340 0.788 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269113309 813221182 /nfs/dbraw/zinc/22/11/82/813221182.db2.gz SHVDKNSLQWRNAG-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269113309 813221185 /nfs/dbraw/zinc/22/11/85/813221185.db2.gz SHVDKNSLQWRNAG-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269159659 813244724 /nfs/dbraw/zinc/24/47/24/813244724.db2.gz PZOSVDYIZMYIAS-WDEREUQCSA-N 1 2 253.346 0.265 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269159659 813244728 /nfs/dbraw/zinc/24/47/28/813244728.db2.gz PZOSVDYIZMYIAS-WDEREUQCSA-N 1 2 253.346 0.265 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211841063 813254242 /nfs/dbraw/zinc/25/42/42/813254242.db2.gz JLQCTCMXXDQVFH-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211841063 813254248 /nfs/dbraw/zinc/25/42/48/813254248.db2.gz JLQCTCMXXDQVFH-HUUCEWRRSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)CCCS(C)(=O)=O ZINC001269321303 813325089 /nfs/dbraw/zinc/32/50/89/813325089.db2.gz SJUDPPFMFQUOKZ-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)CCCS(C)(=O)=O ZINC001269321303 813325097 /nfs/dbraw/zinc/32/50/97/813325097.db2.gz SJUDPPFMFQUOKZ-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCn2cc(C)cn2)C1 ZINC001269891954 813547645 /nfs/dbraw/zinc/54/76/45/813547645.db2.gz BDNWBJYAZJHZTH-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001038408971 813548817 /nfs/dbraw/zinc/54/88/17/813548817.db2.gz GCXCSZKYFVNRAU-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001038408971 813548824 /nfs/dbraw/zinc/54/88/24/813548824.db2.gz GCXCSZKYFVNRAU-OLZOCXBDSA-N 1 2 286.379 0.903 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)CCc1[nH+]ccn1C ZINC001270469386 813776946 /nfs/dbraw/zinc/77/69/46/813776946.db2.gz KRTOVNWYCTVPQB-LLVKDONJSA-N 1 2 263.345 0.218 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001270629911 813856402 /nfs/dbraw/zinc/85/64/02/813856402.db2.gz VNRUUGIHVPIPRP-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001270629911 813856411 /nfs/dbraw/zinc/85/64/11/813856411.db2.gz VNRUUGIHVPIPRP-CHWSQXEVSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001270638091 813863051 /nfs/dbraw/zinc/86/30/51/813863051.db2.gz IXPVFFXUBQWBEO-OLZOCXBDSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001270638091 813863059 /nfs/dbraw/zinc/86/30/59/813863059.db2.gz IXPVFFXUBQWBEO-OLZOCXBDSA-N 1 2 268.357 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001270638578 813865303 /nfs/dbraw/zinc/86/53/03/813865303.db2.gz OCHLRNRATHURBA-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001270638578 813865316 /nfs/dbraw/zinc/86/53/16/813865316.db2.gz OCHLRNRATHURBA-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)c1 ZINC001029244712 814014519 /nfs/dbraw/zinc/01/45/19/814014519.db2.gz KGAHEIJMJKXSBG-BNOWGMLFSA-N 1 2 287.367 0.755 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C)c1 ZINC001029244712 814014528 /nfs/dbraw/zinc/01/45/28/814014528.db2.gz KGAHEIJMJKXSBG-BNOWGMLFSA-N 1 2 287.367 0.755 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001059283841 814064842 /nfs/dbraw/zinc/06/48/42/814064842.db2.gz NWGHNTLTKIKBRX-XYPYZODXSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CCC=C ZINC001280405666 814475239 /nfs/dbraw/zinc/47/52/39/814475239.db2.gz DBAZOVAERIJTLG-UONOGXRCSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CCC=C ZINC001280405666 814475241 /nfs/dbraw/zinc/47/52/41/814475241.db2.gz DBAZOVAERIJTLG-UONOGXRCSA-N 1 2 280.368 0.418 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465091 814622594 /nfs/dbraw/zinc/62/25/94/814622594.db2.gz HWRNWFPQORBMOT-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465091 814622597 /nfs/dbraw/zinc/62/25/97/814622597.db2.gz HWRNWFPQORBMOT-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)SC ZINC001271997826 814671454 /nfs/dbraw/zinc/67/14/54/814671454.db2.gz GKJQAXTYSDUKRH-GFCCVEGCSA-N 1 2 299.440 0.268 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)SC ZINC001271997826 814671459 /nfs/dbraw/zinc/67/14/59/814671459.db2.gz GKJQAXTYSDUKRH-GFCCVEGCSA-N 1 2 299.440 0.268 20 30 CCEDLO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001059665697 814698396 /nfs/dbraw/zinc/69/83/96/814698396.db2.gz IEIZGWUAWZBVCK-PHIMTYICSA-N 1 2 297.322 0.304 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(C)cn23)[C@@H](O)C1 ZINC001083638426 815581139 /nfs/dbraw/zinc/58/11/39/815581139.db2.gz PRWRVIAOHQQBAH-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(C)cn23)[C@@H](O)C1 ZINC001083638426 815581146 /nfs/dbraw/zinc/58/11/46/815581146.db2.gz PRWRVIAOHQQBAH-OCCSQVGLSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001127032496 815581899 /nfs/dbraw/zinc/58/18/99/815581899.db2.gz YGLIOXFDPMLNQO-SNVBAGLBSA-N 1 2 282.369 0.345 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](O)C1 ZINC001083660100 815627225 /nfs/dbraw/zinc/62/72/25/815627225.db2.gz JDRXMTRGXPPKLE-KGLIPLIRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](O)C1 ZINC001083660100 815627230 /nfs/dbraw/zinc/62/72/30/815627230.db2.gz JDRXMTRGXPPKLE-KGLIPLIRSA-N 1 2 287.363 0.497 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)c1 ZINC001030194546 815878470 /nfs/dbraw/zinc/87/84/70/815878470.db2.gz MFNKIISDSXCAFI-ZDUSSCGKSA-N 1 2 288.351 0.869 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030202551 815885149 /nfs/dbraw/zinc/88/51/49/815885149.db2.gz WQPRZQVWZZPJNH-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001030215113 815898230 /nfs/dbraw/zinc/89/82/30/815898230.db2.gz VGSJALSMYQXMRK-JTQLQIEISA-N 1 2 252.314 0.316 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030236845 815919455 /nfs/dbraw/zinc/91/94/55/815919455.db2.gz RRSATJOIYASLPX-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001030292252 815960730 /nfs/dbraw/zinc/96/07/30/815960730.db2.gz ZHYMIBTXGRUPRK-UHFFFAOYSA-N 1 2 263.345 0.422 20 30 CCEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CN(CC#N)C2)[nH]n1 ZINC001030349563 815989818 /nfs/dbraw/zinc/98/98/18/815989818.db2.gz NRQOKSVLNYBCGA-ZDUSSCGKSA-N 1 2 288.355 0.114 20 30 CCEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CN(CC#N)C2)[nH]n1 ZINC001030349563 815989824 /nfs/dbraw/zinc/98/98/24/815989824.db2.gz NRQOKSVLNYBCGA-ZDUSSCGKSA-N 1 2 288.355 0.114 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(F)CCOCC2)C1 ZINC001030413044 816024060 /nfs/dbraw/zinc/02/40/60/816024060.db2.gz FHCIRDDPECHWJW-UHFFFAOYSA-N 1 2 254.305 0.329 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001030458048 816046452 /nfs/dbraw/zinc/04/64/52/816046452.db2.gz FIUUGKVAUWXJQH-UHFFFAOYSA-N 1 2 284.319 0.706 20 30 CCEDLO CC#CCN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030511021 816077426 /nfs/dbraw/zinc/07/74/26/816077426.db2.gz ICISQXIEICDHMO-UHFFFAOYSA-N 1 2 274.368 0.750 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001030516189 816081040 /nfs/dbraw/zinc/08/10/40/816081040.db2.gz XWINQOVKTRWVSZ-TZMCWYRMSA-N 1 2 281.400 0.472 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001030583247 816124954 /nfs/dbraw/zinc/12/49/54/816124954.db2.gz IALPRUPBNLVJPM-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2CCC)C1 ZINC001030596493 816134721 /nfs/dbraw/zinc/13/47/21/816134721.db2.gz YMOKOFJCKPYOIP-UHFFFAOYSA-N 1 2 260.341 0.800 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001030726062 816251963 /nfs/dbraw/zinc/25/19/63/816251963.db2.gz YNWHXAZGJKULHM-NWDGAFQWSA-N 1 2 277.368 0.115 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001030741928 816258849 /nfs/dbraw/zinc/25/88/49/816258849.db2.gz HSEXFYYWXPTKOT-OAHLLOKOSA-N 1 2 293.411 0.474 20 30 CCEDLO C=CCN1CC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001030741928 816258857 /nfs/dbraw/zinc/25/88/57/816258857.db2.gz HSEXFYYWXPTKOT-OAHLLOKOSA-N 1 2 293.411 0.474 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001030748573 816262604 /nfs/dbraw/zinc/26/26/04/816262604.db2.gz BDPKLZQIAHZFKU-NSHDSACASA-N 1 2 288.351 0.351 20 30 CCEDLO N#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001030753527 816265279 /nfs/dbraw/zinc/26/52/79/816265279.db2.gz OYFJLDBMWPALOL-UHFFFAOYSA-N 1 2 281.319 0.810 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001030830224 816326201 /nfs/dbraw/zinc/32/62/01/816326201.db2.gz HICCHSBZBVTHKX-UHFFFAOYSA-N 1 2 275.352 0.933 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001030858778 816357563 /nfs/dbraw/zinc/35/75/63/816357563.db2.gz GPJSRWVILQCWHM-AWEZNQCLSA-N 1 2 269.348 0.935 20 30 CCEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001233731542 816391311 /nfs/dbraw/zinc/39/13/11/816391311.db2.gz NNIMGXGMDZGBRY-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001233731542 816391318 /nfs/dbraw/zinc/39/13/18/816391318.db2.gz NNIMGXGMDZGBRY-LSDHHAIUSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001030928710 816449245 /nfs/dbraw/zinc/44/92/45/816449245.db2.gz DZQVKCAREQLQDQ-UHFFFAOYSA-N 1 2 295.346 0.705 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001031079649 816629187 /nfs/dbraw/zinc/62/91/87/816629187.db2.gz FSFVGOIZIHLPKL-LLVKDONJSA-N 1 2 293.371 0.303 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001031154589 816712873 /nfs/dbraw/zinc/71/28/73/816712873.db2.gz RJVZIXQJXCOPOM-RYUDHWBXSA-N 1 2 250.342 0.625 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001031223054 816842481 /nfs/dbraw/zinc/84/24/81/816842481.db2.gz YNCPVDAFFPODGV-LLVKDONJSA-N 1 2 274.368 0.891 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001031223054 816842491 /nfs/dbraw/zinc/84/24/91/816842491.db2.gz YNCPVDAFFPODGV-LLVKDONJSA-N 1 2 274.368 0.891 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001083736021 816878800 /nfs/dbraw/zinc/87/88/00/816878800.db2.gz FBXGYGPQYYDBGZ-CJNGLKHVSA-N 1 2 297.358 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001083736021 816878807 /nfs/dbraw/zinc/87/88/07/816878807.db2.gz FBXGYGPQYYDBGZ-CJNGLKHVSA-N 1 2 297.358 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001083736947 816887365 /nfs/dbraw/zinc/88/73/65/816887365.db2.gz BEUGUCUPDAXSOY-NEPJUHHUSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001083736947 816887372 /nfs/dbraw/zinc/88/73/72/816887372.db2.gz BEUGUCUPDAXSOY-NEPJUHHUSA-N 1 2 280.274 0.373 20 30 CCEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc[nH]c1)C2 ZINC001272643962 816918763 /nfs/dbraw/zinc/91/87/63/816918763.db2.gz DGRXNICRTCRQRO-UHFFFAOYSA-N 1 2 261.325 0.614 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001124054299 817268599 /nfs/dbraw/zinc/26/85/99/817268599.db2.gz JRWODMSZGUGNNR-LBPRGKRZSA-N 1 2 261.325 0.554 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212344952 817408528 /nfs/dbraw/zinc/40/85/28/817408528.db2.gz UDOIMAHSPDPTNU-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001212344952 817408534 /nfs/dbraw/zinc/40/85/34/817408534.db2.gz UDOIMAHSPDPTNU-IJLUTSLNSA-N 1 2 283.372 0.032 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124895812 817622032 /nfs/dbraw/zinc/62/20/32/817622032.db2.gz JMBQBIAJOGIEHF-BDAKNGLRSA-N 1 2 281.316 0.142 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)n1 ZINC001032303718 817820316 /nfs/dbraw/zinc/82/03/16/817820316.db2.gz FSOGTELILUVPJO-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)n1 ZINC001032303718 817820324 /nfs/dbraw/zinc/82/03/24/817820324.db2.gz FSOGTELILUVPJO-STQMWFEESA-N 1 2 272.352 0.651 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032317606 817850998 /nfs/dbraw/zinc/85/09/98/817850998.db2.gz XGANLLOYRVOQSF-SWHYSGLUSA-N 1 2 287.367 0.673 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032317606 817851009 /nfs/dbraw/zinc/85/10/09/817851009.db2.gz XGANLLOYRVOQSF-SWHYSGLUSA-N 1 2 287.367 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001077595387 817860604 /nfs/dbraw/zinc/86/06/04/817860604.db2.gz COCVSUARFVGPPO-GHMZBOCLSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001077595387 817860611 /nfs/dbraw/zinc/86/06/11/817860611.db2.gz COCVSUARFVGPPO-GHMZBOCLSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001077601935 817861792 /nfs/dbraw/zinc/86/17/92/817861792.db2.gz ZYCGGONCOFMEFI-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001077601935 817861798 /nfs/dbraw/zinc/86/17/98/817861798.db2.gz ZYCGGONCOFMEFI-HUUCEWRRSA-N 1 2 283.331 0.576 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707526 817953455 /nfs/dbraw/zinc/95/34/55/817953455.db2.gz QTIVFDQUBPVJPD-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107713486 817957131 /nfs/dbraw/zinc/95/71/31/817957131.db2.gz QEJHWLVCFAEOIG-AWEZNQCLSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=COCCO2)C1 ZINC001107713486 817957135 /nfs/dbraw/zinc/95/71/35/817957135.db2.gz QEJHWLVCFAEOIG-AWEZNQCLSA-N 1 2 282.340 0.268 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001077674177 817977026 /nfs/dbraw/zinc/97/70/26/817977026.db2.gz ILEPSBBHYNZQKF-ZIAGYGMSSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001077674177 817977030 /nfs/dbraw/zinc/97/70/30/817977030.db2.gz ILEPSBBHYNZQKF-ZIAGYGMSSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@](C)(O)C1CC1 ZINC001032363660 818006286 /nfs/dbraw/zinc/00/62/86/818006286.db2.gz MOKJWGAOVFAQSH-KCQAQPDRSA-N 1 2 262.353 0.456 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@](C)(O)C1CC1 ZINC001032363660 818006295 /nfs/dbraw/zinc/00/62/95/818006295.db2.gz MOKJWGAOVFAQSH-KCQAQPDRSA-N 1 2 262.353 0.456 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107808098 818020512 /nfs/dbraw/zinc/02/05/12/818020512.db2.gz AVYGESWGEGBEIX-UKRRQHHQSA-N 1 2 282.384 0.499 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107808098 818020518 /nfs/dbraw/zinc/02/05/18/818020518.db2.gz AVYGESWGEGBEIX-UKRRQHHQSA-N 1 2 282.384 0.499 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001107815390 818025242 /nfs/dbraw/zinc/02/52/42/818025242.db2.gz SKDPHOWYSZKXKV-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001107815390 818025253 /nfs/dbraw/zinc/02/52/53/818025253.db2.gz SKDPHOWYSZKXKV-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO COCC#CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272954925 818122482 /nfs/dbraw/zinc/12/24/82/818122482.db2.gz RFYMNXJJZHPOTF-UHFFFAOYSA-N 1 2 273.336 0.309 20 30 CCEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128404893 818221830 /nfs/dbraw/zinc/22/18/30/818221830.db2.gz HTVOJQJXTKVQEX-UHFFFAOYSA-N 1 2 252.318 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001032994105 818409231 /nfs/dbraw/zinc/40/92/31/818409231.db2.gz SRFKCYSVLSODRX-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001032994105 818409235 /nfs/dbraw/zinc/40/92/35/818409235.db2.gz SRFKCYSVLSODRX-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099652199 818428762 /nfs/dbraw/zinc/42/87/62/818428762.db2.gz YHASQXORDWGRQL-VHSXEESVSA-N 1 2 278.805 0.653 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099652199 818428766 /nfs/dbraw/zinc/42/87/66/818428766.db2.gz YHASQXORDWGRQL-VHSXEESVSA-N 1 2 278.805 0.653 20 30 CCEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001033248863 818676586 /nfs/dbraw/zinc/67/65/86/818676586.db2.gz PATKSYRAZWHRLY-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001033248863 818676589 /nfs/dbraw/zinc/67/65/89/818676589.db2.gz PATKSYRAZWHRLY-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128656566 818767757 /nfs/dbraw/zinc/76/77/57/818767757.db2.gz BAVWIQIWITZFEA-NEPJUHHUSA-N 1 2 261.329 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128656566 818767768 /nfs/dbraw/zinc/76/77/68/818767768.db2.gz BAVWIQIWITZFEA-NEPJUHHUSA-N 1 2 261.329 0.053 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090143763 818913634 /nfs/dbraw/zinc/91/36/34/818913634.db2.gz AYZXRTVPATTYJU-JQWIXIFHSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 ZINC001090143763 818913642 /nfs/dbraw/zinc/91/36/42/818913642.db2.gz AYZXRTVPATTYJU-JQWIXIFHSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034374837 819184180 /nfs/dbraw/zinc/18/41/80/819184180.db2.gz FNLAGSNRAJPPBH-VIFPVBQESA-N 1 2 259.737 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034374837 819184182 /nfs/dbraw/zinc/18/41/82/819184182.db2.gz FNLAGSNRAJPPBH-VIFPVBQESA-N 1 2 259.737 0.195 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108160722 819334276 /nfs/dbraw/zinc/33/42/76/819334276.db2.gz RWFYSFSKOPLPAS-LSDHHAIUSA-N 1 2 298.358 0.345 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001108160722 819334279 /nfs/dbraw/zinc/33/42/79/819334279.db2.gz RWFYSFSKOPLPAS-LSDHHAIUSA-N 1 2 298.358 0.345 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083865443 819335224 /nfs/dbraw/zinc/33/52/24/819335224.db2.gz HMKQTGNCGIVWMI-GLQYFDAESA-N 1 2 290.363 0.794 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083865443 819335229 /nfs/dbraw/zinc/33/52/29/819335229.db2.gz HMKQTGNCGIVWMI-GLQYFDAESA-N 1 2 290.363 0.794 20 30 CCEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nnc(C)o2)CCC1 ZINC001129121140 819419570 /nfs/dbraw/zinc/41/95/70/819419570.db2.gz MDFCPNMLVWIUDO-UHFFFAOYSA-N 1 2 276.340 0.777 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC001035269616 819433464 /nfs/dbraw/zinc/43/34/64/819433464.db2.gz DHZPJKJSPKWATQ-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCOCC2)C1 ZINC001035269616 819433470 /nfs/dbraw/zinc/43/34/70/819433470.db2.gz DHZPJKJSPKWATQ-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035291933 819437610 /nfs/dbraw/zinc/43/76/10/819437610.db2.gz ZKAYSCWWOWEHEH-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035291933 819437615 /nfs/dbraw/zinc/43/76/15/819437615.db2.gz ZKAYSCWWOWEHEH-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001035304242 819455283 /nfs/dbraw/zinc/45/52/83/819455283.db2.gz WDIRKHBTKWHSCX-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001035304242 819455287 /nfs/dbraw/zinc/45/52/87/819455287.db2.gz WDIRKHBTKWHSCX-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001035305804 819456815 /nfs/dbraw/zinc/45/68/15/819456815.db2.gz MGDPBTUFSFOFPB-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001035305804 819456817 /nfs/dbraw/zinc/45/68/17/819456817.db2.gz MGDPBTUFSFOFPB-SNVBAGLBSA-N 1 2 282.369 0.545 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035307186 819458802 /nfs/dbraw/zinc/45/88/02/819458802.db2.gz NWZWPYUXJYAEPT-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035307186 819458805 /nfs/dbraw/zinc/45/88/05/819458805.db2.gz NWZWPYUXJYAEPT-ZDUSSCGKSA-N 1 2 291.326 0.675 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C=C)[C@@H](n2ccnn2)C1 ZINC001129159762 819465898 /nfs/dbraw/zinc/46/58/98/819465898.db2.gz VFJQEPJFLHMOHE-OLZOCXBDSA-N 1 2 287.367 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C=C)[C@@H](n2ccnn2)C1 ZINC001129159762 819465902 /nfs/dbraw/zinc/46/59/02/819465902.db2.gz VFJQEPJFLHMOHE-OLZOCXBDSA-N 1 2 287.367 0.465 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035343524 819483046 /nfs/dbraw/zinc/48/30/46/819483046.db2.gz XTLJQHHTMSLYGZ-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035343524 819483048 /nfs/dbraw/zinc/48/30/48/819483048.db2.gz XTLJQHHTMSLYGZ-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001035347615 819487138 /nfs/dbraw/zinc/48/71/38/819487138.db2.gz WRFMJFSYBFICRW-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001035347615 819487144 /nfs/dbraw/zinc/48/71/44/819487144.db2.gz WRFMJFSYBFICRW-ZDUSSCGKSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001035505567 819541584 /nfs/dbraw/zinc/54/15/84/819541584.db2.gz KGMJEMOJGMUCBB-LBPRGKRZSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001035505567 819541593 /nfs/dbraw/zinc/54/15/93/819541593.db2.gz KGMJEMOJGMUCBB-LBPRGKRZSA-N 1 2 291.351 0.712 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC001035569543 819561061 /nfs/dbraw/zinc/56/10/61/819561061.db2.gz LWESHGRFROWMSG-GFCCVEGCSA-N 1 2 292.339 0.102 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC001035569543 819561064 /nfs/dbraw/zinc/56/10/64/819561064.db2.gz LWESHGRFROWMSG-GFCCVEGCSA-N 1 2 292.339 0.102 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035550038 819563775 /nfs/dbraw/zinc/56/37/75/819563775.db2.gz JGMSJSZAPOCIES-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035550038 819563778 /nfs/dbraw/zinc/56/37/78/819563778.db2.gz JGMSJSZAPOCIES-LBPRGKRZSA-N 1 2 278.356 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035605970 819574200 /nfs/dbraw/zinc/57/42/00/819574200.db2.gz KWUJFAOUMUECML-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035605970 819574206 /nfs/dbraw/zinc/57/42/06/819574206.db2.gz KWUJFAOUMUECML-LLVKDONJSA-N 1 2 264.329 0.037 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035607395 819587980 /nfs/dbraw/zinc/58/79/80/819587980.db2.gz QPYYLKWPZHNGFZ-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC001035607395 819587985 /nfs/dbraw/zinc/58/79/85/819587985.db2.gz QPYYLKWPZHNGFZ-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108185832 820099325 /nfs/dbraw/zinc/09/93/25/820099325.db2.gz GADYPFBIMPQCJN-HOCLYGCPSA-N 1 2 296.411 0.888 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108185832 820099332 /nfs/dbraw/zinc/09/93/32/820099332.db2.gz GADYPFBIMPQCJN-HOCLYGCPSA-N 1 2 296.411 0.888 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064306720 820192442 /nfs/dbraw/zinc/19/24/42/820192442.db2.gz OMMWIMUAZBSJNP-JTQLQIEISA-N 1 2 289.339 0.267 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991236 820497338 /nfs/dbraw/zinc/49/73/38/820497338.db2.gz ARXYCFDFFVSHSN-JHJVBQTASA-N 1 2 287.367 0.406 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@H](OC)C1 ZINC001081348045 820743095 /nfs/dbraw/zinc/74/30/95/820743095.db2.gz ONMNAQZDJMPNPY-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@H](OC)C1 ZINC001081348045 820743103 /nfs/dbraw/zinc/74/31/03/820743103.db2.gz ONMNAQZDJMPNPY-CHWSQXEVSA-N 1 2 291.351 0.744 20 30 CCEDLO CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001081563479 820789250 /nfs/dbraw/zinc/78/92/50/820789250.db2.gz REUJTMKJCLHZEA-VXGBXAGGSA-N 1 2 280.303 0.285 20 30 CCEDLO CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001081563479 820789254 /nfs/dbraw/zinc/78/92/54/820789254.db2.gz REUJTMKJCLHZEA-VXGBXAGGSA-N 1 2 280.303 0.285 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@H](OC)C1 ZINC001082012040 820880976 /nfs/dbraw/zinc/88/09/76/820880976.db2.gz RJQUSVNKNOCILL-ZIAGYGMSSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@H](OC)C1 ZINC001082012040 820880986 /nfs/dbraw/zinc/88/09/86/820880986.db2.gz RJQUSVNKNOCILL-ZIAGYGMSSA-N 1 2 289.335 0.152 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@H](OC)C1 ZINC001082371738 820951835 /nfs/dbraw/zinc/95/18/35/820951835.db2.gz YNFBMRHTFJUSEK-CHWSQXEVSA-N 1 2 278.356 0.193 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@H](OC)C1 ZINC001082371738 820951841 /nfs/dbraw/zinc/95/18/41/820951841.db2.gz YNFBMRHTFJUSEK-CHWSQXEVSA-N 1 2 278.356 0.193 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001090388380 821062196 /nfs/dbraw/zinc/06/21/96/821062196.db2.gz PMYFRBFDRYNYJR-OLZOCXBDSA-N 1 2 290.367 0.249 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001090388380 821062206 /nfs/dbraw/zinc/06/22/06/821062206.db2.gz PMYFRBFDRYNYJR-OLZOCXBDSA-N 1 2 290.367 0.249 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)C)[C@H]2C1 ZINC001082983781 821086682 /nfs/dbraw/zinc/08/66/82/821086682.db2.gz XWUDMRFWXIIOHQ-QWHCGFSZSA-N 1 2 250.342 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)C)[C@H]2C1 ZINC001082983781 821086693 /nfs/dbraw/zinc/08/66/93/821086693.db2.gz XWUDMRFWXIIOHQ-QWHCGFSZSA-N 1 2 250.342 0.577 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083024537 821113150 /nfs/dbraw/zinc/11/31/50/821113150.db2.gz QVEMPFCQKAKTAU-AOIOQCJFSA-N 1 2 283.759 0.810 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083024537 821113152 /nfs/dbraw/zinc/11/31/52/821113152.db2.gz QVEMPFCQKAKTAU-AOIOQCJFSA-N 1 2 283.759 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084075778 821185405 /nfs/dbraw/zinc/18/54/05/821185405.db2.gz UDWSQNLTNWJJFT-GLQYFDAESA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084075778 821185408 /nfs/dbraw/zinc/18/54/08/821185408.db2.gz UDWSQNLTNWJJFT-GLQYFDAESA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H](O)C1 ZINC001084045297 821187521 /nfs/dbraw/zinc/18/75/21/821187521.db2.gz KAXSIRCOPDPETO-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H](O)C1 ZINC001084045297 821187528 /nfs/dbraw/zinc/18/75/28/821187528.db2.gz KAXSIRCOPDPETO-CABCVRRESA-N 1 2 288.347 0.241 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001166953948 821354893 /nfs/dbraw/zinc/35/48/93/821354893.db2.gz SUZXOMSCKYYFEK-GFCCVEGCSA-N 1 2 256.309 0.959 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001231115515 821494293 /nfs/dbraw/zinc/49/42/93/821494293.db2.gz VTIFCRMQPTYBDK-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001231115515 821494298 /nfs/dbraw/zinc/49/42/98/821494298.db2.gz VTIFCRMQPTYBDK-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C/C(=C/C(=O)NC[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000826671188 821668566 /nfs/dbraw/zinc/66/85/66/821668566.db2.gz HXCICGUXOCBAHW-RDQDRAATSA-N 1 2 251.330 0.541 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001085534490 821773926 /nfs/dbraw/zinc/77/39/26/821773926.db2.gz MEMVLDLNOVOCGJ-GFCCVEGCSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001085534490 821773932 /nfs/dbraw/zinc/77/39/32/821773932.db2.gz MEMVLDLNOVOCGJ-GFCCVEGCSA-N 1 2 256.309 0.666 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085584727 821822113 /nfs/dbraw/zinc/82/21/13/821822113.db2.gz LZISORLXSSKOQA-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085584727 821822118 /nfs/dbraw/zinc/82/21/18/821822118.db2.gz LZISORLXSSKOQA-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085574098 821824033 /nfs/dbraw/zinc/82/40/33/821824033.db2.gz NQAUUXBPNLAEII-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085574098 821824046 /nfs/dbraw/zinc/82/40/46/821824046.db2.gz NQAUUXBPNLAEII-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085615021 821853092 /nfs/dbraw/zinc/85/30/92/821853092.db2.gz AMYCYSJBCMWVRB-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085615021 821853102 /nfs/dbraw/zinc/85/31/02/821853102.db2.gz AMYCYSJBCMWVRB-ZDUSSCGKSA-N 1 2 272.352 0.873 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688802 821902764 /nfs/dbraw/zinc/90/27/64/821902764.db2.gz RQVSSSSLBZSSQN-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688802 821902771 /nfs/dbraw/zinc/90/27/71/821902771.db2.gz RQVSSSSLBZSSQN-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691868 821905491 /nfs/dbraw/zinc/90/54/91/821905491.db2.gz SFHXUJXCFZYHEQ-NSHDSACASA-N 1 2 272.352 0.678 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691868 821905497 /nfs/dbraw/zinc/90/54/97/821905497.db2.gz SFHXUJXCFZYHEQ-NSHDSACASA-N 1 2 272.352 0.678 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085698441 821908756 /nfs/dbraw/zinc/90/87/56/821908756.db2.gz NDMRZJHRYRBRMI-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085698441 821908763 /nfs/dbraw/zinc/90/87/63/821908763.db2.gz NDMRZJHRYRBRMI-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727077 821919292 /nfs/dbraw/zinc/91/92/92/821919292.db2.gz OINVIDWQSMARBI-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727077 821919298 /nfs/dbraw/zinc/91/92/98/821919298.db2.gz OINVIDWQSMARBI-LLVKDONJSA-N 1 2 277.324 0.853 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001085797928 821956216 /nfs/dbraw/zinc/95/62/16/821956216.db2.gz DNNRJMOFENPPGS-LLVKDONJSA-N 1 2 278.356 0.848 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001085797928 821956218 /nfs/dbraw/zinc/95/62/18/821956218.db2.gz DNNRJMOFENPPGS-LLVKDONJSA-N 1 2 278.356 0.848 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001085824072 821971694 /nfs/dbraw/zinc/97/16/94/821971694.db2.gz ZJCGMSKOPCQKNS-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001085824072 821971702 /nfs/dbraw/zinc/97/17/02/821971702.db2.gz ZJCGMSKOPCQKNS-GFCCVEGCSA-N 1 2 260.341 0.806 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085882933 821996799 /nfs/dbraw/zinc/99/67/99/821996799.db2.gz QDKIEBKKUUHLDV-ZDUSSCGKSA-N 1 2 297.362 0.899 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085882933 821996802 /nfs/dbraw/zinc/99/68/02/821996802.db2.gz QDKIEBKKUUHLDV-ZDUSSCGKSA-N 1 2 297.362 0.899 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)c1[nH+]cnc2c1cnn2C ZINC001100005283 822005779 /nfs/dbraw/zinc/00/57/79/822005779.db2.gz YDUKWPGLQCLFQN-VIFPVBQESA-N 1 2 287.327 0.075 20 30 CCEDLO N#CCN[C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086427468 822250395 /nfs/dbraw/zinc/25/03/95/822250395.db2.gz RZFZKAGQINHPSQ-HAQNSBGRSA-N 1 2 283.335 0.956 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114050808 837417386 /nfs/dbraw/zinc/41/73/86/837417386.db2.gz JDMLWOAJLLSINE-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114050808 837417388 /nfs/dbraw/zinc/41/73/88/837417388.db2.gz JDMLWOAJLLSINE-YABSGUDNSA-N 1 2 292.339 0.127 20 30 CCEDLO CCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)nn1 ZINC001114067751 837421851 /nfs/dbraw/zinc/42/18/51/837421851.db2.gz WIJAMCDCDYDQMV-XEZLXBQYSA-N 1 2 288.355 0.004 20 30 CCEDLO CCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)nn1 ZINC001114067751 837421854 /nfs/dbraw/zinc/42/18/54/837421854.db2.gz WIJAMCDCDYDQMV-XEZLXBQYSA-N 1 2 288.355 0.004 20 30 CCEDLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114252656 837486675 /nfs/dbraw/zinc/48/66/75/837486675.db2.gz AFHABOKYYWAMJL-HALDLXJZSA-N 1 2 298.390 0.863 20 30 CCEDLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114252656 837486682 /nfs/dbraw/zinc/48/66/82/837486682.db2.gz AFHABOKYYWAMJL-HALDLXJZSA-N 1 2 298.390 0.863 20 30 CCEDLO Cc1cc(NC[C@H](C)NC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001108430473 836077295 /nfs/dbraw/zinc/07/72/95/836077295.db2.gz AJQYTTOGJJEXDS-LBPRGKRZSA-N 1 2 298.350 0.497 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(OCC#N)cn2)C[NH2+]1 ZINC001169131301 836146692 /nfs/dbraw/zinc/14/66/92/836146692.db2.gz YJMXELVLDJQXEH-KOLCDFICSA-N 1 2 276.296 0.299 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001108456083 836201583 /nfs/dbraw/zinc/20/15/83/836201583.db2.gz NVDPLWBAHKIQQL-NSHDSACASA-N 1 2 298.350 0.268 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C#N)C2)CO1 ZINC001169401970 836251929 /nfs/dbraw/zinc/25/19/29/836251929.db2.gz AQOMWEDOLVFABZ-TUAOUCFPSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C#N)C2)CO1 ZINC001169401970 836251942 /nfs/dbraw/zinc/25/19/42/836251942.db2.gz AQOMWEDOLVFABZ-TUAOUCFPSA-N 1 2 252.314 0.943 20 30 CCEDLO COc1ccc(NC[C@H]2COCC[N@@H+]2C)nc1CC#N ZINC001169653537 836409872 /nfs/dbraw/zinc/40/98/72/836409872.db2.gz OIQPWYUHYGZATF-NSHDSACASA-N 1 2 276.340 0.899 20 30 CCEDLO COc1ccc(NC[C@H]2COCC[N@H+]2C)nc1CC#N ZINC001169653537 836409874 /nfs/dbraw/zinc/40/98/74/836409874.db2.gz OIQPWYUHYGZATF-NSHDSACASA-N 1 2 276.340 0.899 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C\C)CC2=O)C1 ZINC001108529963 836427356 /nfs/dbraw/zinc/42/73/56/836427356.db2.gz QCNJZVBMCGSGQL-QJGQKNTRSA-N 1 2 277.368 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C=C/C3CC3)CC2=O)C1 ZINC001108530945 836428863 /nfs/dbraw/zinc/42/88/63/836428863.db2.gz WCBLVXQZBNINIW-GFUIURDCSA-N 1 2 289.379 0.540 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102190 836614347 /nfs/dbraw/zinc/61/43/47/836614347.db2.gz NEPJCMUDLAJGQX-VXGBXAGGSA-N 1 2 290.367 0.764 20 30 CCEDLO CN(CCCNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506259 836691619 /nfs/dbraw/zinc/69/16/19/836691619.db2.gz BVXOPELZZPIORF-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCCNc1cnc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633857 836706859 /nfs/dbraw/zinc/70/68/59/836706859.db2.gz SVRQXGHLBZYKMC-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109737043 836722642 /nfs/dbraw/zinc/72/26/42/836722642.db2.gz SHSLLTLMXHZZNP-AGIUHOORSA-N 1 2 273.340 0.092 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109737043 836722648 /nfs/dbraw/zinc/72/26/48/836722648.db2.gz SHSLLTLMXHZZNP-AGIUHOORSA-N 1 2 273.340 0.092 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112703788 836873921 /nfs/dbraw/zinc/87/39/21/836873921.db2.gz GNNKEYVPIFTCQR-UHFFFAOYSA-N 1 2 278.356 0.230 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001112841622 836940957 /nfs/dbraw/zinc/94/09/57/836940957.db2.gz FUUAGDAECOKNGH-ZDUSSCGKSA-N 1 2 250.342 0.745 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC001113177292 837046367 /nfs/dbraw/zinc/04/63/67/837046367.db2.gz WNYNDBBWLYCCSE-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCSC)CC1 ZINC001131325771 838047716 /nfs/dbraw/zinc/04/77/16/838047716.db2.gz VOCIEBZEGWAESB-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCSC)CC1 ZINC001131325771 838047726 /nfs/dbraw/zinc/04/77/26/838047726.db2.gz VOCIEBZEGWAESB-UHFFFAOYSA-N 1 2 299.440 0.576 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131646498 838164942 /nfs/dbraw/zinc/16/49/42/838164942.db2.gz WKKIMKSMSIQXCW-WFASDCNBSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131646498 838164948 /nfs/dbraw/zinc/16/49/48/838164948.db2.gz WKKIMKSMSIQXCW-WFASDCNBSA-N 1 2 295.383 0.130 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCC2)C[N@@H+]1CC(=O)NCC#N ZINC001131724740 838188911 /nfs/dbraw/zinc/18/89/11/838188911.db2.gz HDQPJLCCPQWASN-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCC2)C[N@H+]1CC(=O)NCC#N ZINC001131724740 838188914 /nfs/dbraw/zinc/18/89/14/838188914.db2.gz HDQPJLCCPQWASN-DGCLKSJQSA-N 1 2 292.383 0.395 20 30 CCEDLO C[NH+]1CC(NC(=O)CN(CCC#N)C(=O)OC(C)(C)C)C1 ZINC001184862047 844301664 /nfs/dbraw/zinc/30/16/64/844301664.db2.gz SJPVZBPBGYRHAA-UHFFFAOYSA-N 1 2 296.371 0.567 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131808767 838231431 /nfs/dbraw/zinc/23/14/31/838231431.db2.gz NWJWEFWDESCHOH-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131808767 838231439 /nfs/dbraw/zinc/23/14/39/838231439.db2.gz NWJWEFWDESCHOH-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nonc1C ZINC001131867155 838254487 /nfs/dbraw/zinc/25/44/87/838254487.db2.gz KSVCKERMGXFHOV-CQSZACIVSA-N 1 2 296.371 0.813 20 30 CCEDLO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132016316 838299722 /nfs/dbraw/zinc/29/97/22/838299722.db2.gz GGUXFBQJOXKWSY-STQMWFEESA-N 1 2 279.384 0.361 20 30 CCEDLO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132016316 838299726 /nfs/dbraw/zinc/29/97/26/838299726.db2.gz GGUXFBQJOXKWSY-STQMWFEESA-N 1 2 279.384 0.361 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C ZINC001132253459 838350182 /nfs/dbraw/zinc/35/01/82/838350182.db2.gz UOVWVZOPQBGQQK-WDEREUQCSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C ZINC001132253459 838350185 /nfs/dbraw/zinc/35/01/85/838350185.db2.gz UOVWVZOPQBGQQK-WDEREUQCSA-N 1 2 299.802 0.974 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CN1CC#N ZINC001132458895 838410531 /nfs/dbraw/zinc/41/05/31/838410531.db2.gz YTUYSDMGYZASCZ-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001132593227 838446258 /nfs/dbraw/zinc/44/62/58/838446258.db2.gz WTHKXUWUBLKMGG-UHFFFAOYSA-N 1 2 266.370 0.938 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090538810 839626916 /nfs/dbraw/zinc/62/69/16/839626916.db2.gz ULPJYBUAZDMVMG-NWDGAFQWSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 ZINC001090538810 839626922 /nfs/dbraw/zinc/62/69/22/839626922.db2.gz ULPJYBUAZDMVMG-NWDGAFQWSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090660716 839710973 /nfs/dbraw/zinc/71/09/73/839710973.db2.gz UZXCVYJGSOXSKK-WDEREUQCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090660716 839710978 /nfs/dbraw/zinc/71/09/78/839710978.db2.gz UZXCVYJGSOXSKK-WDEREUQCSA-N 1 2 296.758 0.394 20 30 CCEDLO C=CC[C@@H](C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144025805 839916545 /nfs/dbraw/zinc/91/65/45/839916545.db2.gz BCHBAGJZSOADBY-ZYHUDNBSSA-N 1 2 279.340 0.833 20 30 CCEDLO CC(C)(C#N)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC001186033966 844484667 /nfs/dbraw/zinc/48/46/67/844484667.db2.gz MYMDCSXVQUHSBE-GFCCVEGCSA-N 1 2 288.351 0.888 20 30 CCEDLO CC(C)(C#N)c1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)cn1 ZINC001186033966 844484674 /nfs/dbraw/zinc/48/46/74/844484674.db2.gz MYMDCSXVQUHSBE-GFCCVEGCSA-N 1 2 288.351 0.888 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186033159 844484767 /nfs/dbraw/zinc/48/47/67/844484767.db2.gz DQNLJPIXJMPUMF-GFCCVEGCSA-N 1 2 297.318 0.507 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186033159 844484771 /nfs/dbraw/zinc/48/47/71/844484771.db2.gz DQNLJPIXJMPUMF-GFCCVEGCSA-N 1 2 297.318 0.507 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186033161 844485164 /nfs/dbraw/zinc/48/51/64/844485164.db2.gz DQNLJPIXJMPUMF-LBPRGKRZSA-N 1 2 297.318 0.507 20 30 CCEDLO N#Cc1cc2cccnc2nc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186033161 844485166 /nfs/dbraw/zinc/48/51/66/844485166.db2.gz DQNLJPIXJMPUMF-LBPRGKRZSA-N 1 2 297.318 0.507 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC001144166616 839970680 /nfs/dbraw/zinc/97/06/80/839970680.db2.gz NVRGSLMEFQJGBQ-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC001144166616 839970687 /nfs/dbraw/zinc/97/06/87/839970687.db2.gz NVRGSLMEFQJGBQ-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144399269 840031958 /nfs/dbraw/zinc/03/19/58/840031958.db2.gz KBWDFBCTZIWELM-VIFPVBQESA-N 1 2 278.337 0.707 20 30 CCEDLO CC(=O)N[C@@H](CS)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001144426747 840048012 /nfs/dbraw/zinc/04/80/12/840048012.db2.gz FXRYOBQRRYRMFG-LBPRGKRZSA-N 1 2 296.396 0.659 20 30 CCEDLO N#CCNC1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001091103877 840049307 /nfs/dbraw/zinc/04/93/07/840049307.db2.gz LJJNEWFJUGICKY-OTTFEQOBSA-N 1 2 287.367 0.453 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCSC)NC(C)=O)CC1 ZINC001144858739 840161922 /nfs/dbraw/zinc/16/19/22/840161922.db2.gz SJYCVHGCGLRWLQ-ZDUSSCGKSA-N 1 2 299.440 0.574 20 30 CCEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cncc3c2CC(=O)N3)cc1 ZINC001171259142 840223170 /nfs/dbraw/zinc/22/31/70/840223170.db2.gz WYABLICGOIKKNC-UHFFFAOYSA-N 1 2 295.302 0.712 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001149118006 840252200 /nfs/dbraw/zinc/25/22/00/840252200.db2.gz YNLVIDGLUBYREE-UHFFFAOYSA-N 1 2 284.319 0.499 20 30 CCEDLO N#CCNCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519235 840318015 /nfs/dbraw/zinc/31/80/15/840318015.db2.gz HGRFWKRWPKDIKG-UHFFFAOYSA-N 1 2 270.296 0.110 20 30 CCEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001147428097 840581262 /nfs/dbraw/zinc/58/12/62/840581262.db2.gz LHSKGUZGZPYJMY-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001147428097 840581270 /nfs/dbraw/zinc/58/12/70/840581270.db2.gz LHSKGUZGZPYJMY-UHFFFAOYSA-N 1 2 288.351 0.907 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CCCCOC)C2)OCC1=O ZINC001273525333 844586787 /nfs/dbraw/zinc/58/67/87/844586787.db2.gz GRGCEGLDQHYWDK-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO N#Cc1nccc(NCCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001094406770 841637935 /nfs/dbraw/zinc/63/79/35/841637935.db2.gz MCSOHLIRVHXLEF-UHFFFAOYSA-N 1 2 299.338 0.044 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 ZINC001094689038 841702945 /nfs/dbraw/zinc/70/29/45/841702945.db2.gz JCCKFIHIHQQXBS-SECBINFHSA-N 1 2 287.310 0.229 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001172797575 841980473 /nfs/dbraw/zinc/98/04/73/841980473.db2.gz RXGIHFSSPHDHMW-JHJVBQTASA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1cc(N)c(NC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC001176832248 842418070 /nfs/dbraw/zinc/41/80/70/842418070.db2.gz KRKCUKCPZWCXNT-UHFFFAOYSA-N 1 2 266.264 0.916 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957020 842468616 /nfs/dbraw/zinc/46/86/16/842468616.db2.gz MNUUSYWMCAWRGL-ZIAGYGMSSA-N 1 2 299.378 0.622 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001177133122 842511564 /nfs/dbraw/zinc/51/15/64/842511564.db2.gz KPXPAAGJLGMCRU-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001177133122 842511569 /nfs/dbraw/zinc/51/15/69/842511569.db2.gz KPXPAAGJLGMCRU-ZDUSSCGKSA-N 1 2 298.383 0.723 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C#C)n1 ZINC001178100926 842755384 /nfs/dbraw/zinc/75/53/84/842755384.db2.gz JYFLEOVRPSECQJ-LLVKDONJSA-N 1 2 291.314 0.837 20 30 CCEDLO C#Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccn1 ZINC001178101373 842757745 /nfs/dbraw/zinc/75/77/45/842757745.db2.gz WVDRAPNLQFVQBD-LLVKDONJSA-N 1 2 266.304 0.882 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110231573 843037959 /nfs/dbraw/zinc/03/79/59/843037959.db2.gz NNEWVMAYVHGABA-UTUOFQBUSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110231573 843037969 /nfs/dbraw/zinc/03/79/69/843037969.db2.gz NNEWVMAYVHGABA-UTUOFQBUSA-N 1 2 295.358 0.205 20 30 CCEDLO CCOC(=O)c1cnn2cc(C[NH2+]CCC#N)cnc12 ZINC001181284516 843442211 /nfs/dbraw/zinc/44/22/11/843442211.db2.gz BXUZZONHTHRLDS-UHFFFAOYSA-N 1 2 273.296 0.909 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CC(OC)(OC)C2)CC1 ZINC001182472492 843839451 /nfs/dbraw/zinc/83/94/51/843839451.db2.gz OTPOPKYTABHYSE-UHFFFAOYSA-N 1 2 268.357 0.716 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182505049 843847387 /nfs/dbraw/zinc/84/73/87/843847387.db2.gz PFJMDUOVRJGFRG-WDEREUQCSA-N 1 2 294.380 0.267 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189281156 845093005 /nfs/dbraw/zinc/09/30/05/845093005.db2.gz YSZVYPDSHHWXNY-GFCCVEGCSA-N 1 2 277.372 0.814 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189281156 845093014 /nfs/dbraw/zinc/09/30/14/845093014.db2.gz YSZVYPDSHHWXNY-GFCCVEGCSA-N 1 2 277.372 0.814 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191645554 845707983 /nfs/dbraw/zinc/70/79/83/845707983.db2.gz LJFYVAOSYOJRTL-JYBZGJHDSA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191645554 845707989 /nfs/dbraw/zinc/70/79/89/845707989.db2.gz LJFYVAOSYOJRTL-JYBZGJHDSA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001191776979 845724375 /nfs/dbraw/zinc/72/43/75/845724375.db2.gz BGYOXQZMYWFXIZ-VXGBXAGGSA-N 1 2 297.380 0.007 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001191776979 845724380 /nfs/dbraw/zinc/72/43/80/845724380.db2.gz BGYOXQZMYWFXIZ-VXGBXAGGSA-N 1 2 297.380 0.007 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191755840 845731093 /nfs/dbraw/zinc/73/10/93/845731093.db2.gz NLFXBBAEPBUXHA-ANDSXOESSA-N 1 2 274.748 0.103 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191755840 845731098 /nfs/dbraw/zinc/73/10/98/845731098.db2.gz NLFXBBAEPBUXHA-ANDSXOESSA-N 1 2 274.748 0.103 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001192731715 845898103 /nfs/dbraw/zinc/89/81/03/845898103.db2.gz PAIQMDITODMNAH-HUUCEWRRSA-N 1 2 292.379 0.298 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001192731715 845898114 /nfs/dbraw/zinc/89/81/14/845898114.db2.gz PAIQMDITODMNAH-HUUCEWRRSA-N 1 2 292.379 0.298 20 30 CCEDLO CCCC[NH+]1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC001193127462 845990202 /nfs/dbraw/zinc/99/02/02/845990202.db2.gz PJNNGMIPIVQFTH-LLVKDONJSA-N 1 2 259.375 0.646 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193096731 845993506 /nfs/dbraw/zinc/99/35/06/845993506.db2.gz ALXBPOMAMJTNML-GFCCVEGCSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193096731 845993514 /nfs/dbraw/zinc/99/35/14/845993514.db2.gz ALXBPOMAMJTNML-GFCCVEGCSA-N 1 2 299.802 0.798 20 30 CCEDLO C[NH+]1CC2(CN(C(=O)c3ccc(O)c(C#N)c3)C2)C1 ZINC001193506583 846101186 /nfs/dbraw/zinc/10/11/86/846101186.db2.gz USBOIWUOPICFAY-UHFFFAOYSA-N 1 2 257.293 0.651 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)COC(C)C)CO2 ZINC001273684347 846388662 /nfs/dbraw/zinc/38/86/62/846388662.db2.gz BGEVLUXHDZUXCA-CYBMUJFWSA-N 1 2 282.384 0.947 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC001194945325 846424006 /nfs/dbraw/zinc/42/40/06/846424006.db2.gz JYIKBMMWQRRDRS-CYBMUJFWSA-N 1 2 284.425 0.922 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC001194945325 846424010 /nfs/dbraw/zinc/42/40/10/846424010.db2.gz JYIKBMMWQRRDRS-CYBMUJFWSA-N 1 2 284.425 0.922 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)OCC)CC1 ZINC001194954185 846425207 /nfs/dbraw/zinc/42/52/07/846425207.db2.gz DIRRHNPZSVZGBV-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)OCC)CC1 ZINC001194954185 846425210 /nfs/dbraw/zinc/42/52/10/846425210.db2.gz DIRRHNPZSVZGBV-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NCC)C2 ZINC001110466441 846472098 /nfs/dbraw/zinc/47/20/98/846472098.db2.gz PYKHMMHKAVZDLI-UTUOFQBUSA-N 1 2 299.802 0.987 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NCC)C2 ZINC001110466441 846472100 /nfs/dbraw/zinc/47/21/00/846472100.db2.gz PYKHMMHKAVZDLI-UTUOFQBUSA-N 1 2 299.802 0.987 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)s3)C[C@@H](C1)O2 ZINC001273699392 846533525 /nfs/dbraw/zinc/53/35/25/846533525.db2.gz YAQZNHLYEGOBAN-AOOOYVTPSA-N 1 2 277.349 0.775 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)s3)C[C@@H](C1)O2 ZINC001273699392 846533527 /nfs/dbraw/zinc/53/35/27/846533527.db2.gz YAQZNHLYEGOBAN-AOOOYVTPSA-N 1 2 277.349 0.775 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195531958 846570203 /nfs/dbraw/zinc/57/02/03/846570203.db2.gz JXQVMSMOYWVSSS-IJLUTSLNSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195531958 846570210 /nfs/dbraw/zinc/57/02/10/846570210.db2.gz JXQVMSMOYWVSSS-IJLUTSLNSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196665628 846785234 /nfs/dbraw/zinc/78/52/34/846785234.db2.gz GJLLHNFXPJOEQI-OAHLLOKOSA-N 1 2 297.399 0.235 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196665628 846785244 /nfs/dbraw/zinc/78/52/44/846785244.db2.gz GJLLHNFXPJOEQI-OAHLLOKOSA-N 1 2 297.399 0.235 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001251887563 847338265 /nfs/dbraw/zinc/33/82/65/847338265.db2.gz FPKHOWUEDORYPJ-LBPRGKRZSA-N 1 2 279.311 0.652 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001251885602 847341230 /nfs/dbraw/zinc/34/12/30/847341230.db2.gz ZDILPWSPTSSJDK-CHWSQXEVSA-N 1 2 271.357 0.565 20 30 CCEDLO N#CCNC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200367579 847615109 /nfs/dbraw/zinc/61/51/09/847615109.db2.gz QIKNHOAEKSYNFL-LBPRGKRZSA-N 1 2 291.355 0.073 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001252572715 848012294 /nfs/dbraw/zinc/01/22/94/848012294.db2.gz TWLMRFVQUDQYOB-GFCCVEGCSA-N 1 2 257.330 0.625 20 30 CCEDLO C=CCN1CC2(C[NH+](CCSCC)C2)OCC1=O ZINC001274010434 848300558 /nfs/dbraw/zinc/30/05/58/848300558.db2.gz VGJJOZFSIQYFPV-UHFFFAOYSA-N 1 2 270.398 0.839 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COCCC)CC2)C1 ZINC001274468313 848484528 /nfs/dbraw/zinc/48/45/28/848484528.db2.gz RXAIJYRDVHZVOW-UHFFFAOYSA-N 1 2 293.411 0.265 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)C2CCC2)CC1 ZINC000717748562 848492512 /nfs/dbraw/zinc/49/25/12/848492512.db2.gz YIFIMCGUUBOSSR-UHFFFAOYSA-N 1 2 257.359 0.446 20 30 CCEDLO C#CCN1C[C@@]2(F)CN(c3cccc[nH+]3)C[C@@]2(F)C1=O ZINC001274739407 848556538 /nfs/dbraw/zinc/55/65/38/848556538.db2.gz IYKOUDUVDFTKBY-ZIAGYGMSSA-N 1 2 277.274 0.794 20 30 CCEDLO C[C@@H](NC(=O)CSCC#N)[C@H](C)[NH2+]Cc1cnsn1 ZINC001275355031 848697905 /nfs/dbraw/zinc/69/79/05/848697905.db2.gz JFPSSGSUDIESKP-DTWKUNHWSA-N 1 2 299.425 0.778 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001275535121 848753640 /nfs/dbraw/zinc/75/36/40/848753640.db2.gz KZZOERDRLCGMKS-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001275535121 848753642 /nfs/dbraw/zinc/75/36/42/848753642.db2.gz KZZOERDRLCGMKS-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C#CC[N@@H+](C)C[C@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001275690609 848792226 /nfs/dbraw/zinc/79/22/26/848792226.db2.gz VMESBFLGKBRODY-NSHDSACASA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001275690609 848792233 /nfs/dbraw/zinc/79/22/33/848792233.db2.gz VMESBFLGKBRODY-NSHDSACASA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)ccc1=O)C2 ZINC001095738932 849128852 /nfs/dbraw/zinc/12/88/52/849128852.db2.gz KHHXZULIVZKUPI-XBFCOCLRSA-N 1 2 285.347 0.354 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)ccc1=O)C2 ZINC001095738932 849128855 /nfs/dbraw/zinc/12/88/55/849128855.db2.gz KHHXZULIVZKUPI-XBFCOCLRSA-N 1 2 285.347 0.354 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001095746035 849131188 /nfs/dbraw/zinc/13/11/88/849131188.db2.gz FOABFHSCGGFTRF-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)C#CC4CC4)[C@@H]3C2)cc[nH+]1 ZINC001114544351 849236476 /nfs/dbraw/zinc/23/64/76/849236476.db2.gz MPWPFUPRFBICSV-QKDCVEJESA-N 1 2 296.374 0.997 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001038629877 849729326 /nfs/dbraw/zinc/72/93/26/849729326.db2.gz KEKXREWJYDGGTD-GXTWGEPZSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001038629877 849729330 /nfs/dbraw/zinc/72/93/30/849729330.db2.gz KEKXREWJYDGGTD-GXTWGEPZSA-N 1 2 286.379 0.349 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038166828 849804830 /nfs/dbraw/zinc/80/48/30/849804830.db2.gz CQSIDUYRFQJXSC-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038373140 849868856 /nfs/dbraw/zinc/86/88/56/849868856.db2.gz IGNHCJCKOZLVQF-NSHDSACASA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038373140 849868863 /nfs/dbraw/zinc/86/88/63/849868863.db2.gz IGNHCJCKOZLVQF-NSHDSACASA-N 1 2 285.303 0.971 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001038394634 849880346 /nfs/dbraw/zinc/88/03/46/849880346.db2.gz WLHIBPJWGLZGHP-LLVKDONJSA-N 1 2 274.324 0.236 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001038394634 849880352 /nfs/dbraw/zinc/88/03/52/849880352.db2.gz WLHIBPJWGLZGHP-LLVKDONJSA-N 1 2 274.324 0.236 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001038454090 849904880 /nfs/dbraw/zinc/90/48/80/849904880.db2.gz DXNQIRQQGSNUOI-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001038454090 849904891 /nfs/dbraw/zinc/90/48/91/849904891.db2.gz DXNQIRQQGSNUOI-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038451100 849906203 /nfs/dbraw/zinc/90/62/03/849906203.db2.gz PZDUKVOURBQAJC-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038451100 849906207 /nfs/dbraw/zinc/90/62/07/849906207.db2.gz PZDUKVOURBQAJC-LBPRGKRZSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038499599 849922911 /nfs/dbraw/zinc/92/29/11/849922911.db2.gz XKBIZSRGGSJMID-GFCCVEGCSA-N 1 2 288.351 0.493 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001038499599 849922920 /nfs/dbraw/zinc/92/29/20/849922920.db2.gz XKBIZSRGGSJMID-GFCCVEGCSA-N 1 2 288.351 0.493 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038514205 849929300 /nfs/dbraw/zinc/92/93/00/849929300.db2.gz PQFXCIJSOSTCOM-GFCCVEGCSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038514205 849929307 /nfs/dbraw/zinc/92/93/07/849929307.db2.gz PQFXCIJSOSTCOM-GFCCVEGCSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001038814855 850024114 /nfs/dbraw/zinc/02/41/14/850024114.db2.gz WPUCUSNVJNMDEU-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001038814855 850024120 /nfs/dbraw/zinc/02/41/20/850024120.db2.gz WPUCUSNVJNMDEU-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001038829955 850034259 /nfs/dbraw/zinc/03/42/59/850034259.db2.gz PJUWGTYMRHXYPE-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001038829955 850034269 /nfs/dbraw/zinc/03/42/69/850034269.db2.gz PJUWGTYMRHXYPE-CYBMUJFWSA-N 1 2 295.346 0.909 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038879106 850063153 /nfs/dbraw/zinc/06/31/53/850063153.db2.gz TWHDROOTMNCPRB-CYBMUJFWSA-N 1 2 296.334 0.595 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038900233 850073796 /nfs/dbraw/zinc/07/37/96/850073796.db2.gz QJXVWTPEZRJHCQ-AWEZNQCLSA-N 1 2 272.352 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038900233 850073803 /nfs/dbraw/zinc/07/38/03/850073803.db2.gz QJXVWTPEZRJHCQ-AWEZNQCLSA-N 1 2 272.352 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038913216 850080491 /nfs/dbraw/zinc/08/04/91/850080491.db2.gz WJCIIUIJQGURGO-LLVKDONJSA-N 1 2 272.352 0.346 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001038913216 850080505 /nfs/dbraw/zinc/08/05/05/850080505.db2.gz WJCIIUIJQGURGO-LLVKDONJSA-N 1 2 272.352 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)nc1 ZINC001038931089 850090193 /nfs/dbraw/zinc/09/01/93/850090193.db2.gz KZZXPCQCXSUSQA-AWEZNQCLSA-N 1 2 267.332 0.890 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)nc1 ZINC001038931089 850090201 /nfs/dbraw/zinc/09/02/01/850090201.db2.gz KZZXPCQCXSUSQA-AWEZNQCLSA-N 1 2 267.332 0.890 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001038945501 850097171 /nfs/dbraw/zinc/09/71/71/850097171.db2.gz OZDYQHAYPLCTJW-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001038945501 850097181 /nfs/dbraw/zinc/09/71/81/850097181.db2.gz OZDYQHAYPLCTJW-LLVKDONJSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001038991881 850114491 /nfs/dbraw/zinc/11/44/91/850114491.db2.gz LPPZWDTWGGKACW-LBPRGKRZSA-N 1 2 298.350 0.178 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001038991881 850114495 /nfs/dbraw/zinc/11/44/95/850114495.db2.gz LPPZWDTWGGKACW-LBPRGKRZSA-N 1 2 298.350 0.178 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001039006435 850115304 /nfs/dbraw/zinc/11/53/04/850115304.db2.gz QYVYQTQHMUEHJU-LBPRGKRZSA-N 1 2 288.351 0.091 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001039006435 850115309 /nfs/dbraw/zinc/11/53/09/850115309.db2.gz QYVYQTQHMUEHJU-LBPRGKRZSA-N 1 2 288.351 0.091 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042373105 850622043 /nfs/dbraw/zinc/62/20/43/850622043.db2.gz DLIRTXSCMHKFSF-CHWSQXEVSA-N 1 2 273.340 0.329 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001042524703 850680756 /nfs/dbraw/zinc/68/07/56/850680756.db2.gz TZECYBTURGQQCK-NEPJUHHUSA-N 1 2 266.341 0.514 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC)c2)C1 ZINC001042550969 850693473 /nfs/dbraw/zinc/69/34/73/850693473.db2.gz ZGINYJXCRAVRAF-UHFFFAOYSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3c2CCC3)C1 ZINC001042861478 850770968 /nfs/dbraw/zinc/77/09/68/850770968.db2.gz FTPGSKUZZCKZGR-UHFFFAOYSA-N 1 2 272.352 0.609 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001042911709 850778570 /nfs/dbraw/zinc/77/85/70/850778570.db2.gz ONBDMKWCZLHHHA-UHFFFAOYSA-N 1 2 289.383 0.874 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001043117429 850815911 /nfs/dbraw/zinc/81/59/11/850815911.db2.gz KWSZSDNGLZURGF-UHFFFAOYSA-N 1 2 261.325 0.328 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001043186216 850829111 /nfs/dbraw/zinc/82/91/11/850829111.db2.gz HAMCNGYCFJXLSR-QWRGUYRKSA-N 1 2 265.357 0.230 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001043190222 850831797 /nfs/dbraw/zinc/83/17/97/850831797.db2.gz GLEMVLFDZTXDGO-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001043198489 850833502 /nfs/dbraw/zinc/83/35/02/850833502.db2.gz RBNFVCOGALBAKN-UHFFFAOYSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCO[C@@H]2C)C1 ZINC001043457046 850876783 /nfs/dbraw/zinc/87/67/83/850876783.db2.gz TUISEOYQTDUVBE-IUODEOHRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043837103 850947389 /nfs/dbraw/zinc/94/73/89/850947389.db2.gz DQDSHWDZZIEWEG-LBPRGKRZSA-N 1 2 272.352 0.605 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CC3CC3)nn2)C1 ZINC001044100315 851010454 /nfs/dbraw/zinc/01/04/54/851010454.db2.gz OKGMPRAUXCATNH-UHFFFAOYSA-N 1 2 287.367 0.468 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(N)=O)C1 ZINC001095983196 851121270 /nfs/dbraw/zinc/12/12/70/851121270.db2.gz VEBBMRQOEPMOCI-NDBYEHHHSA-N 1 2 291.395 0.938 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(N)=O)C1 ZINC001095983196 851121278 /nfs/dbraw/zinc/12/12/78/851121278.db2.gz VEBBMRQOEPMOCI-NDBYEHHHSA-N 1 2 291.395 0.938 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692297 851142813 /nfs/dbraw/zinc/14/28/13/851142813.db2.gz GOQCBCCDZMGUQX-QWHCGFSZSA-N 1 2 275.356 0.766 20 30 CCEDLO CC#CC[NH+]1CCC(C)(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001045450385 851261550 /nfs/dbraw/zinc/26/15/50/851261550.db2.gz PWIQNRHVWOTPCV-UHFFFAOYSA-N 1 2 298.408 0.025 20 30 CCEDLO C/C=C(/C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046021080 851354873 /nfs/dbraw/zinc/35/48/73/851354873.db2.gz ZWQYMJFGGYIQJZ-CRAFIKPXSA-N 1 2 276.384 0.695 20 30 CCEDLO CN(C(=O)C1CC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047273656 851689670 /nfs/dbraw/zinc/68/96/70/851689670.db2.gz QWHAMCIRVYWFDB-IRXDYDNUSA-N 1 2 298.386 0.952 20 30 CCEDLO CN(C(=O)C1CC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047273656 851689675 /nfs/dbraw/zinc/68/96/75/851689675.db2.gz QWHAMCIRVYWFDB-IRXDYDNUSA-N 1 2 298.386 0.952 20 30 CCEDLO CN(C(=O)C1CC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047273950 851689769 /nfs/dbraw/zinc/68/97/69/851689769.db2.gz WRFHLERXSZPHCB-HOTGVXAUSA-N 1 2 299.374 0.972 20 30 CCEDLO CN(C(=O)C1CC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047273950 851689775 /nfs/dbraw/zinc/68/97/75/851689775.db2.gz WRFHLERXSZPHCB-HOTGVXAUSA-N 1 2 299.374 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2C)C1 ZINC001047372719 851742342 /nfs/dbraw/zinc/74/23/42/851742342.db2.gz KUZBSTALOPMCCC-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2C)C1 ZINC001047372719 851742346 /nfs/dbraw/zinc/74/23/46/851742346.db2.gz KUZBSTALOPMCCC-STQMWFEESA-N 1 2 278.377 0.807 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCOCC2)C1 ZINC001047402678 851752706 /nfs/dbraw/zinc/75/27/06/851752706.db2.gz XEHXAAIEUVMZKD-STQMWFEESA-N 1 2 298.358 0.032 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCOCC2)C1 ZINC001047402678 851752710 /nfs/dbraw/zinc/75/27/10/851752710.db2.gz XEHXAAIEUVMZKD-STQMWFEESA-N 1 2 298.358 0.032 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001047451868 851768710 /nfs/dbraw/zinc/76/87/10/851768710.db2.gz NEDYLURLMSTJOH-KBPBESRZSA-N 1 2 290.363 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001047451868 851768719 /nfs/dbraw/zinc/76/87/19/851768719.db2.gz NEDYLURLMSTJOH-KBPBESRZSA-N 1 2 290.363 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C(C)C)cn2)C1 ZINC001047471598 851776086 /nfs/dbraw/zinc/77/60/86/851776086.db2.gz PKPTWFQKABSVDY-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C(C)C)cn2)C1 ZINC001047471598 851776088 /nfs/dbraw/zinc/77/60/88/851776088.db2.gz PKPTWFQKABSVDY-KBPBESRZSA-N 1 2 290.367 0.214 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2OC)C1 ZINC001047606249 851833840 /nfs/dbraw/zinc/83/38/40/851833840.db2.gz VVKSSPLZBULBNY-QWRGUYRKSA-N 1 2 294.376 0.507 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2OC)C1 ZINC001047606249 851833845 /nfs/dbraw/zinc/83/38/45/851833845.db2.gz VVKSSPLZBULBNY-QWRGUYRKSA-N 1 2 294.376 0.507 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001047645426 851843150 /nfs/dbraw/zinc/84/31/50/851843150.db2.gz QVMKFPWNCJDQQU-KBPBESRZSA-N 1 2 290.338 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001047645426 851843154 /nfs/dbraw/zinc/84/31/54/851843154.db2.gz QVMKFPWNCJDQQU-KBPBESRZSA-N 1 2 290.338 0.884 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)C3CC3)CC2)nc1 ZINC001096260525 851873284 /nfs/dbraw/zinc/87/32/84/851873284.db2.gz GCVJXHIMXMKODZ-UHFFFAOYSA-N 1 2 299.378 0.601 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096304509 851910974 /nfs/dbraw/zinc/91/09/74/851910974.db2.gz VBCPMQKTOSOFKY-VWYCJHECSA-N 1 2 295.774 0.821 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001096304509 851910978 /nfs/dbraw/zinc/91/09/78/851910978.db2.gz VBCPMQKTOSOFKY-VWYCJHECSA-N 1 2 295.774 0.821 20 30 CCEDLO Cc1nc(N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001096338098 851936282 /nfs/dbraw/zinc/93/62/82/851936282.db2.gz IMINAPOMHURJNP-GXSJLCMTSA-N 1 2 259.313 0.640 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359756 852241692 /nfs/dbraw/zinc/24/16/92/852241692.db2.gz LPEYEZZLWLOTPA-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CS(C)(=O)=O ZINC001049359756 852241698 /nfs/dbraw/zinc/24/16/98/852241698.db2.gz LPEYEZZLWLOTPA-NEPJUHHUSA-N 1 2 286.397 0.282 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097217377 852515028 /nfs/dbraw/zinc/51/50/28/852515028.db2.gz BHWYLWDHRKSJDF-RTXFEEFZSA-N 1 2 288.351 0.882 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(C)cc1=O)C2 ZINC001097273389 852522066 /nfs/dbraw/zinc/52/20/66/852522066.db2.gz NKKGIIBELGEDKI-YUELXQCFSA-N 1 2 299.374 0.662 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(C)cc1=O)C2 ZINC001097273389 852522073 /nfs/dbraw/zinc/52/20/73/852522073.db2.gz NKKGIIBELGEDKI-YUELXQCFSA-N 1 2 299.374 0.662 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001052897652 852667855 /nfs/dbraw/zinc/66/78/55/852667855.db2.gz KNAQHMZNTOFCTM-LBPRGKRZSA-N 1 2 275.356 0.755 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)CCO2 ZINC001053177604 852701688 /nfs/dbraw/zinc/70/16/88/852701688.db2.gz APNPLGBLGLDVCQ-LBPRGKRZSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)CCO2 ZINC001053185453 852705371 /nfs/dbraw/zinc/70/53/71/852705371.db2.gz LQVVZTQQLCNQQV-ZDUSSCGKSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn[nH]1)O2 ZINC001053578418 852763826 /nfs/dbraw/zinc/76/38/26/852763826.db2.gz GBFJCTAFMBPPRF-NSHDSACASA-N 1 2 276.340 0.559 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(F)F)CO2 ZINC001053709912 852784522 /nfs/dbraw/zinc/78/45/22/852784522.db2.gz FEHOSNXAQNFEOF-VIFPVBQESA-N 1 2 260.284 0.787 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)F)CO2 ZINC001053719137 852787267 /nfs/dbraw/zinc/78/72/67/852787267.db2.gz WHIPRHQPHAUTOF-NSHDSACASA-N 1 2 268.332 0.717 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(F)CCOC1)CO2 ZINC001053905465 852843719 /nfs/dbraw/zinc/84/37/19/852843719.db2.gz HREVKVGVIUZTCE-DOMZBBRYSA-N 1 2 296.342 0.098 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCOC1)CO2 ZINC001053968033 852861163 /nfs/dbraw/zinc/86/11/63/852861163.db2.gz ISWDYRFNQOTIKB-ZFWWWQNUSA-N 1 2 292.379 0.396 20 30 CCEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219202 852896835 /nfs/dbraw/zinc/89/68/35/852896835.db2.gz JQBGNWFWFRJFGH-HNNXBMFYSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn(C)n3)cc2C1 ZINC001054286068 852901008 /nfs/dbraw/zinc/90/10/08/852901008.db2.gz QHIWSDBDSFHSQD-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn(C)n3)cc2C1 ZINC001054286068 852901013 /nfs/dbraw/zinc/90/10/13/852901013.db2.gz QHIWSDBDSFHSQD-UHFFFAOYSA-N 1 2 295.346 0.694 20 30 CCEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001054640545 852986895 /nfs/dbraw/zinc/98/68/95/852986895.db2.gz ZGBSMXHTRIXDFZ-ZWNOBZJWSA-N 1 2 290.392 0.888 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 ZINC001097975020 853059826 /nfs/dbraw/zinc/05/98/26/853059826.db2.gz GLSIMBFLLQZPSP-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050552038 853396679 /nfs/dbraw/zinc/39/66/79/853396679.db2.gz DGZBUJIFURDAKW-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001050552038 853396683 /nfs/dbraw/zinc/39/66/83/853396683.db2.gz DGZBUJIFURDAKW-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nccnc1N ZINC001050851836 853463123 /nfs/dbraw/zinc/46/31/23/853463123.db2.gz ZLIPGPAPYDPTAJ-LLVKDONJSA-N 1 2 291.355 0.066 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nccnc1N ZINC001050851836 853463127 /nfs/dbraw/zinc/46/31/27/853463127.db2.gz ZLIPGPAPYDPTAJ-LLVKDONJSA-N 1 2 291.355 0.066 20 30 CCEDLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050873262 853471627 /nfs/dbraw/zinc/47/16/27/853471627.db2.gz WZKNPQDXRBODPA-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050873262 853471630 /nfs/dbraw/zinc/47/16/30/853471630.db2.gz WZKNPQDXRBODPA-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879467 853473047 /nfs/dbraw/zinc/47/30/47/853473047.db2.gz BSSYHRZKYOQGHC-AWEZNQCLSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879467 853473049 /nfs/dbraw/zinc/47/30/49/853473049.db2.gz BSSYHRZKYOQGHC-AWEZNQCLSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001050897499 853480220 /nfs/dbraw/zinc/48/02/20/853480220.db2.gz IKJYPRVCVFMPOK-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001050897499 853480222 /nfs/dbraw/zinc/48/02/22/853480222.db2.gz IKJYPRVCVFMPOK-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001050908633 853483221 /nfs/dbraw/zinc/48/32/21/853483221.db2.gz KUXHMPZQTSSLAR-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001050908633 853483223 /nfs/dbraw/zinc/48/32/23/853483223.db2.gz KUXHMPZQTSSLAR-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001051126377 853529376 /nfs/dbraw/zinc/52/93/76/853529376.db2.gz FLSLJLJDIYNRNQ-TUVASFSCSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001051126377 853529387 /nfs/dbraw/zinc/52/93/87/853529387.db2.gz FLSLJLJDIYNRNQ-TUVASFSCSA-N 1 2 294.395 0.947 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC)C2)CC1 ZINC001051958663 853663738 /nfs/dbraw/zinc/66/37/38/853663738.db2.gz ZDBRHQOIOLLPHF-AWEZNQCLSA-N 1 2 263.385 0.638 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001051957663 853663685 /nfs/dbraw/zinc/66/36/85/853663685.db2.gz KPBALYGUWHAVLD-CQSZACIVSA-N 1 2 263.385 0.638 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(F)F)C2)CC1 ZINC001051970084 853667496 /nfs/dbraw/zinc/66/74/96/853667496.db2.gz WJYVZFMYKSZVPZ-GFCCVEGCSA-N 1 2 285.338 0.493 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001052024736 853677854 /nfs/dbraw/zinc/67/78/54/853677854.db2.gz LJVKPBNTQHKHOF-OLZOCXBDSA-N 1 2 297.349 0.493 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052062836 853680108 /nfs/dbraw/zinc/68/01/08/853680108.db2.gz OWKHEMZDQXRMBY-QLFBSQMISA-N 1 2 275.396 0.494 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001276382041 853956264 /nfs/dbraw/zinc/95/62/64/853956264.db2.gz RSEXVYIRSWQFSL-JTQLQIEISA-N 1 2 253.346 0.265 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001070942287 854106010 /nfs/dbraw/zinc/10/60/10/854106010.db2.gz XWPPIVWGIHYBJV-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001070942287 854106013 /nfs/dbraw/zinc/10/60/13/854106013.db2.gz XWPPIVWGIHYBJV-CYBMUJFWSA-N 1 2 281.400 0.869 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074118342 854674241 /nfs/dbraw/zinc/67/42/41/854674241.db2.gz GSARPPBZQHUPPO-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074118342 854674250 /nfs/dbraw/zinc/67/42/50/854674250.db2.gz GSARPPBZQHUPPO-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098773704 854884942 /nfs/dbraw/zinc/88/49/42/854884942.db2.gz GXKINWLBZBNLIT-CYBMUJFWSA-N 1 2 289.383 0.820 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001099977631 855058244 /nfs/dbraw/zinc/05/82/44/855058244.db2.gz ZZFBWLNBFSHENW-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C[C@H]1O ZINC001099977631 855058250 /nfs/dbraw/zinc/05/82/50/855058250.db2.gz ZZFBWLNBFSHENW-CHWSQXEVSA-N 1 2 297.399 0.030 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100040178 855078810 /nfs/dbraw/zinc/07/88/10/855078810.db2.gz FUJJXZZZJQIXQJ-AWEZNQCLSA-N 1 2 278.356 0.665 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1cnc(C#N)cn1 ZINC001100380555 855158554 /nfs/dbraw/zinc/15/85/54/855158554.db2.gz RNBHILGLLKGECE-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1cnc(C#N)cn1 ZINC001100380555 855158559 /nfs/dbraw/zinc/15/85/59/855158559.db2.gz RNBHILGLLKGECE-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC#CC[NH2+]C1CC(CNC(=O)c2[nH]ncc2F)C1 ZINC001100649922 855203920 /nfs/dbraw/zinc/20/39/20/855203920.db2.gz SVNOBLHZLTYIHY-UHFFFAOYSA-N 1 2 264.304 0.670 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001103334725 855512932 /nfs/dbraw/zinc/51/29/32/855512932.db2.gz KYIDIOVZFTYBFQ-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO N#CCNC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115750585 855694981 /nfs/dbraw/zinc/69/49/81/855694981.db2.gz WQPLDWYGWWJZQQ-UHFFFAOYSA-N 1 2 275.356 0.884 20 30 CCEDLO C[C@@H](C(=O)NC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001116005703 855710075 /nfs/dbraw/zinc/71/00/75/855710075.db2.gz NWUKUZLPJGUJAC-NSHDSACASA-N 1 2 261.329 0.548 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC001119096021 856557141 /nfs/dbraw/zinc/55/71/41/856557141.db2.gz KHWARGDUFJSGNA-UHFFFAOYSA-N 1 2 283.291 0.547 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001323278229 912238629 /nfs/dbraw/zinc/23/86/29/912238629.db2.gz OJNKTVBLZUZMPD-JHJVBQTASA-N 1 2 250.342 0.483 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001323278229 912238648 /nfs/dbraw/zinc/23/86/48/912238648.db2.gz OJNKTVBLZUZMPD-JHJVBQTASA-N 1 2 250.342 0.483 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001323299737 912251682 /nfs/dbraw/zinc/25/16/82/912251682.db2.gz YCRHCXDDXNUEIY-OLZOCXBDSA-N 1 2 290.367 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COCCOCC ZINC001323372587 912301411 /nfs/dbraw/zinc/30/14/11/912301411.db2.gz ZWEBXKYVYFRURZ-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCCOCC ZINC001323372587 912301428 /nfs/dbraw/zinc/30/14/28/912301428.db2.gz ZWEBXKYVYFRURZ-CYBMUJFWSA-N 1 2 268.357 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001492818930 912474088 /nfs/dbraw/zinc/47/40/88/912474088.db2.gz HPAWMZCJYOTELN-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COCC(F)F)C1 ZINC001323958793 912603177 /nfs/dbraw/zinc/60/31/77/912603177.db2.gz ZUKNRYMDRMAJOI-UHFFFAOYSA-N 1 2 260.284 0.434 20 30 CCEDLO C#CC[NH+]1CCC(C)(NC(=O)CS(=O)(=O)CC)CC1 ZINC001324343756 912791512 /nfs/dbraw/zinc/79/15/12/912791512.db2.gz SOIMCJDLOXAVQX-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001395114082 913558277 /nfs/dbraw/zinc/55/82/77/913558277.db2.gz ZCYGHBWBSCLVKH-MNOVXSKESA-N 1 2 277.328 0.006 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001395114062 913560378 /nfs/dbraw/zinc/56/03/78/913560378.db2.gz ZCYGHBWBSCLVKH-GHMZBOCLSA-N 1 2 277.328 0.006 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCCc1[nH+]ccn1C ZINC001348254280 891639176 /nfs/dbraw/zinc/63/91/76/891639176.db2.gz HDTPXPITRDSPQH-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001480913289 891762549 /nfs/dbraw/zinc/76/25/49/891762549.db2.gz JJPLMQWLPSEMMW-OLZOCXBDSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001480913289 891762555 /nfs/dbraw/zinc/76/25/55/891762555.db2.gz JJPLMQWLPSEMMW-OLZOCXBDSA-N 1 2 297.399 0.150 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001481093292 892157466 /nfs/dbraw/zinc/15/74/66/892157466.db2.gz WWHSNZUUQNVJBJ-NWDGAFQWSA-N 1 2 292.339 0.046 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001481093292 892157471 /nfs/dbraw/zinc/15/74/71/892157471.db2.gz WWHSNZUUQNVJBJ-NWDGAFQWSA-N 1 2 292.339 0.046 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001481528583 892778730 /nfs/dbraw/zinc/77/87/30/892778730.db2.gz SRHJUGHXAKLFPN-BXUZGUMPSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001481528583 892778737 /nfs/dbraw/zinc/77/87/37/892778737.db2.gz SRHJUGHXAKLFPN-BXUZGUMPSA-N 1 2 267.373 0.655 20 30 CCEDLO C[C@H](O)CCC[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001481554595 892819495 /nfs/dbraw/zinc/81/94/95/892819495.db2.gz UWKSSPZELUHSHF-JTQLQIEISA-N 1 2 276.340 0.461 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H](C)SC)C1 ZINC001481621818 892920051 /nfs/dbraw/zinc/92/00/51/892920051.db2.gz UHUOQMOJPFFIEV-LLVKDONJSA-N 1 2 299.440 0.478 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCOCC1 ZINC001481672899 892989592 /nfs/dbraw/zinc/98/95/92/892989592.db2.gz LNLKYFPDTQTRHU-KBPBESRZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCOCC1 ZINC001481672899 892989610 /nfs/dbraw/zinc/98/96/10/892989610.db2.gz LNLKYFPDTQTRHU-KBPBESRZSA-N 1 2 292.379 0.348 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481761559 893124696 /nfs/dbraw/zinc/12/46/96/893124696.db2.gz MPJCJQYRHSBJAP-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481761559 893124705 /nfs/dbraw/zinc/12/47/05/893124705.db2.gz MPJCJQYRHSBJAP-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481761558 893125242 /nfs/dbraw/zinc/12/52/42/893125242.db2.gz MPJCJQYRHSBJAP-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481761558 893125249 /nfs/dbraw/zinc/12/52/49/893125249.db2.gz MPJCJQYRHSBJAP-QWHCGFSZSA-N 1 2 297.399 0.376 20 30 CCEDLO CC[C@H](F)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481772420 893133914 /nfs/dbraw/zinc/13/39/14/893133914.db2.gz WRFMGFHOZRYHNJ-NEPJUHHUSA-N 1 2 298.362 0.297 20 30 CCEDLO CC[C@H](F)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481772420 893133921 /nfs/dbraw/zinc/13/39/21/893133921.db2.gz WRFMGFHOZRYHNJ-NEPJUHHUSA-N 1 2 298.362 0.297 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001481808098 893173285 /nfs/dbraw/zinc/17/32/85/893173285.db2.gz LYSWTGZPVYDQDY-SMDDNHRTSA-N 1 2 296.371 0.690 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001269206303 893560394 /nfs/dbraw/zinc/56/03/94/893560394.db2.gz USHYTHKLQFVBBR-DZGCQCFKSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001269206303 893560407 /nfs/dbraw/zinc/56/04/07/893560407.db2.gz USHYTHKLQFVBBR-DZGCQCFKSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1C[C@@H]1C)C(C)C ZINC001284527825 893605721 /nfs/dbraw/zinc/60/57/21/893605721.db2.gz QFEGDRRADCFVQW-KBPBESRZSA-N 1 2 293.411 0.561 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1C[C@@H]1C)C(C)C ZINC001284527825 893605729 /nfs/dbraw/zinc/60/57/29/893605729.db2.gz QFEGDRRADCFVQW-KBPBESRZSA-N 1 2 293.411 0.561 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)CCCS(C)(=O)=O ZINC001482634823 894438489 /nfs/dbraw/zinc/43/84/89/894438489.db2.gz MSCADESBPUXBEA-UHFFFAOYSA-N 1 2 276.402 0.387 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)CCCS(C)(=O)=O ZINC001482634823 894438481 /nfs/dbraw/zinc/43/84/81/894438481.db2.gz MSCADESBPUXBEA-UHFFFAOYSA-N 1 2 276.402 0.387 20 30 CCEDLO C=CCCOCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001483894442 896108986 /nfs/dbraw/zinc/10/89/86/896108986.db2.gz KWFJWWMVHZRCFC-UHFFFAOYSA-N 1 2 292.383 0.618 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCN2CCCC2=O)C1 ZINC001483891846 896109442 /nfs/dbraw/zinc/10/94/42/896109442.db2.gz SSTQESSVLFLVKN-UHFFFAOYSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCCC(=O)NC[C@H]1COCCN1Cc1c[nH+]cn1C ZINC001326617746 914053879 /nfs/dbraw/zinc/05/38/79/914053879.db2.gz SXEREHNSJVKMQT-AWEZNQCLSA-N 1 2 292.383 0.703 20 30 CCEDLO COC[C@H](C)[NH+]1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001484272755 896313991 /nfs/dbraw/zinc/31/39/91/896313991.db2.gz KMFYRHDIVRQCLL-LBPRGKRZSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001484302803 896332403 /nfs/dbraw/zinc/33/24/03/896332403.db2.gz KVPRTKDHGJQYAS-UONOGXRCSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CCN1CCOC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001326646834 914072960 /nfs/dbraw/zinc/07/29/60/914072960.db2.gz GJCMRGSOAUDGFA-CYBMUJFWSA-N 1 2 292.383 0.356 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001484744901 896576024 /nfs/dbraw/zinc/57/60/24/896576024.db2.gz VVXSCGASFYFMGB-UHFFFAOYSA-N 1 2 263.345 0.646 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001484744901 896576030 /nfs/dbraw/zinc/57/60/30/896576030.db2.gz VVXSCGASFYFMGB-UHFFFAOYSA-N 1 2 263.345 0.646 20 30 CCEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001484802334 896603169 /nfs/dbraw/zinc/60/31/69/896603169.db2.gz WPHKDOSUQDIVOL-CHWSQXEVSA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CO[C@@H](C)CC)CO2 ZINC001484796251 896608091 /nfs/dbraw/zinc/60/80/91/896608091.db2.gz TVJMXBIVIRYDSZ-KBPBESRZSA-N 1 2 294.395 0.784 20 30 CCEDLO C=CCCCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485515885 897101101 /nfs/dbraw/zinc/10/11/01/897101101.db2.gz GIGHCBGHFPTTJF-SNVBAGLBSA-N 1 2 253.346 0.265 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COCCC)C2)C1 ZINC001485554413 897117380 /nfs/dbraw/zinc/11/73/80/897117380.db2.gz SOWHDFNQOAJHDI-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COCCC)C2)C1 ZINC001485554413 897117387 /nfs/dbraw/zinc/11/73/87/897117387.db2.gz SOWHDFNQOAJHDI-OAHLLOKOSA-N 1 2 282.384 0.902 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001077730139 897358906 /nfs/dbraw/zinc/35/89/06/897358906.db2.gz OPYFPJSCVVOPJQ-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001077730139 897358916 /nfs/dbraw/zinc/35/89/16/897358916.db2.gz OPYFPJSCVVOPJQ-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn1CC ZINC001032377923 897364892 /nfs/dbraw/zinc/36/48/92/897364892.db2.gz NQLVLZQOYJEGAA-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccn1CC ZINC001032377923 897364906 /nfs/dbraw/zinc/36/49/06/897364906.db2.gz NQLVLZQOYJEGAA-STQMWFEESA-N 1 2 272.352 0.825 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001077752296 897413757 /nfs/dbraw/zinc/41/37/57/897413757.db2.gz MZUJMRFJSZPNOL-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001077752296 897413768 /nfs/dbraw/zinc/41/37/68/897413768.db2.gz MZUJMRFJSZPNOL-FVQBIDKESA-N 1 2 286.375 0.893 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107903629 897472710 /nfs/dbraw/zinc/47/27/10/897472710.db2.gz WOLOBDYIGRZRRR-JKSUJKDBSA-N 1 2 294.395 0.544 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107903629 897472720 /nfs/dbraw/zinc/47/27/20/897472720.db2.gz WOLOBDYIGRZRRR-JKSUJKDBSA-N 1 2 294.395 0.544 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001077781351 897493616 /nfs/dbraw/zinc/49/36/16/897493616.db2.gz NCSGVQYLUKZOPO-NXEZZACHSA-N 1 2 284.768 0.810 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001077781351 897493624 /nfs/dbraw/zinc/49/36/24/897493624.db2.gz NCSGVQYLUKZOPO-NXEZZACHSA-N 1 2 284.768 0.810 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnnn2CC)C1 ZINC001107922402 897501649 /nfs/dbraw/zinc/50/16/49/897501649.db2.gz RTVLHPHJIDVWQS-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnnn2CC)C1 ZINC001107922402 897501659 /nfs/dbraw/zinc/50/16/59/897501659.db2.gz RTVLHPHJIDVWQS-CQSZACIVSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nn(C)cc2C)C1 ZINC001107938477 897522163 /nfs/dbraw/zinc/52/21/63/897522163.db2.gz RRCTVJTYFHNHMV-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nn(C)cc2C)C1 ZINC001107938477 897522178 /nfs/dbraw/zinc/52/21/78/897522178.db2.gz RRCTVJTYFHNHMV-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1Cl ZINC001032421299 897538281 /nfs/dbraw/zinc/53/82/81/897538281.db2.gz QXPIAZWODIJMAS-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1Cl ZINC001032421299 897538294 /nfs/dbraw/zinc/53/82/94/897538294.db2.gz QXPIAZWODIJMAS-QWRGUYRKSA-N 1 2 292.770 0.996 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001032438220 897566416 /nfs/dbraw/zinc/56/64/16/897566416.db2.gz MFAVLDXETSSETG-RYUDHWBXSA-N 1 2 259.313 0.151 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001032438220 897566437 /nfs/dbraw/zinc/56/64/37/897566437.db2.gz MFAVLDXETSSETG-RYUDHWBXSA-N 1 2 259.313 0.151 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001032448860 897582232 /nfs/dbraw/zinc/58/22/32/897582232.db2.gz AQDPXPPXXQJOPS-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001032448860 897582237 /nfs/dbraw/zinc/58/22/37/897582237.db2.gz AQDPXPPXXQJOPS-STQMWFEESA-N 1 2 295.346 0.651 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc[nH]c1=O ZINC001032466668 897602788 /nfs/dbraw/zinc/60/27/88/897602788.db2.gz TWPCMWNTDLLBRC-QWRGUYRKSA-N 1 2 272.308 0.104 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc[nH]c1=O ZINC001032466668 897602800 /nfs/dbraw/zinc/60/28/00/897602800.db2.gz TWPCMWNTDLLBRC-QWRGUYRKSA-N 1 2 272.308 0.104 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001032469511 897612358 /nfs/dbraw/zinc/61/23/58/897612358.db2.gz PPVSHEOTROJTBZ-RYUDHWBXSA-N 1 2 288.351 0.730 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001032469511 897612366 /nfs/dbraw/zinc/61/23/66/897612366.db2.gz PPVSHEOTROJTBZ-RYUDHWBXSA-N 1 2 288.351 0.730 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccccc1 ZINC001032496292 897652867 /nfs/dbraw/zinc/65/28/67/897652867.db2.gz UZLIYIXYRWCPPC-GJZGRUSLSA-N 1 2 297.358 0.934 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccccc1 ZINC001032496292 897652872 /nfs/dbraw/zinc/65/28/72/897652872.db2.gz UZLIYIXYRWCPPC-GJZGRUSLSA-N 1 2 297.358 0.934 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001032507811 897668186 /nfs/dbraw/zinc/66/81/86/897668186.db2.gz LIVXENJDCINCPY-STQMWFEESA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001032507811 897668197 /nfs/dbraw/zinc/66/81/97/897668197.db2.gz LIVXENJDCINCPY-STQMWFEESA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001032531102 897711052 /nfs/dbraw/zinc/71/10/52/897711052.db2.gz FNJJRHVQQNBPNX-XQLPTFJDSA-N 1 2 274.364 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001032531102 897711057 /nfs/dbraw/zinc/71/10/57/897711057.db2.gz FNJJRHVQQNBPNX-XQLPTFJDSA-N 1 2 274.364 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001032589934 897786889 /nfs/dbraw/zinc/78/68/89/897786889.db2.gz BLUAJTPZEIDYQR-IHRRRGAJSA-N 1 2 298.390 0.758 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001032589934 897786898 /nfs/dbraw/zinc/78/68/98/897786898.db2.gz BLUAJTPZEIDYQR-IHRRRGAJSA-N 1 2 298.390 0.758 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C(C)C ZINC001032603593 897812609 /nfs/dbraw/zinc/81/26/09/897812609.db2.gz GBDVWWLOZYMINZ-IHRRRGAJSA-N 1 2 264.369 0.966 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C(C)C ZINC001032603593 897812619 /nfs/dbraw/zinc/81/26/19/897812619.db2.gz GBDVWWLOZYMINZ-IHRRRGAJSA-N 1 2 264.369 0.966 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccnc1 ZINC001032620264 897837590 /nfs/dbraw/zinc/83/75/90/897837590.db2.gz ZETGMMVUTPRSNC-IHRRRGAJSA-N 1 2 285.347 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccnc1 ZINC001032620264 897837595 /nfs/dbraw/zinc/83/75/95/897837595.db2.gz ZETGMMVUTPRSNC-IHRRRGAJSA-N 1 2 285.347 0.767 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001032719982 897970897 /nfs/dbraw/zinc/97/08/97/897970897.db2.gz FZBVGCYSBOEGSE-AVGNSLFASA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001032719982 897970906 /nfs/dbraw/zinc/97/09/06/897970906.db2.gz FZBVGCYSBOEGSE-AVGNSLFASA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001032719982 897970914 /nfs/dbraw/zinc/97/09/14/897970914.db2.gz FZBVGCYSBOEGSE-AVGNSLFASA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001032719982 897970926 /nfs/dbraw/zinc/97/09/26/897970926.db2.gz FZBVGCYSBOEGSE-AVGNSLFASA-N 1 2 286.379 0.986 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001032721802 897980179 /nfs/dbraw/zinc/98/01/79/897980179.db2.gz IZQQLTDBBCOCFV-AVGNSLFASA-N 1 2 277.368 0.326 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@H](C)C1 ZINC001032721802 897980191 /nfs/dbraw/zinc/98/01/91/897980191.db2.gz IZQQLTDBBCOCFV-AVGNSLFASA-N 1 2 277.368 0.326 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncn1C ZINC001032759675 898121257 /nfs/dbraw/zinc/12/12/57/898121257.db2.gz YEJOZZXYPUXEEV-GJZGRUSLSA-N 1 2 286.379 0.661 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncn1C ZINC001032759675 898121264 /nfs/dbraw/zinc/12/12/64/898121264.db2.gz YEJOZZXYPUXEEV-GJZGRUSLSA-N 1 2 286.379 0.661 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc2O1 ZINC001032763094 898134008 /nfs/dbraw/zinc/13/40/08/898134008.db2.gz KYPFTNWJWDHFHV-HEHGZKQESA-N 1 2 298.342 0.745 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc2O1 ZINC001032763094 898134018 /nfs/dbraw/zinc/13/40/18/898134018.db2.gz KYPFTNWJWDHFHV-HEHGZKQESA-N 1 2 298.342 0.745 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001078135795 898259565 /nfs/dbraw/zinc/25/95/65/898259565.db2.gz REDQQCKYIXUFJK-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001078135795 898259587 /nfs/dbraw/zinc/25/95/87/898259587.db2.gz REDQQCKYIXUFJK-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001078161127 898275080 /nfs/dbraw/zinc/27/50/80/898275080.db2.gz GJYMJAJMOCKTGT-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001078161127 898275094 /nfs/dbraw/zinc/27/50/94/898275094.db2.gz GJYMJAJMOCKTGT-VXGBXAGGSA-N 1 2 291.351 0.344 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C(C)=O)C(C)C ZINC001486359920 898815470 /nfs/dbraw/zinc/81/54/70/898815470.db2.gz ABPYLTVQRFSYRY-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C(C)=O)C(C)C ZINC001486359920 898815481 /nfs/dbraw/zinc/81/54/81/898815481.db2.gz ABPYLTVQRFSYRY-UHFFFAOYSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCCC(=O)N(C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001486972933 899089114 /nfs/dbraw/zinc/08/91/14/899089114.db2.gz SDMFCVDCJICQST-NSHDSACASA-N 1 2 278.356 0.882 20 30 CCEDLO Cc1cc(N(C(N)=[NH2+])C(=O)c2ccnc(C#N)c2)n[nH]1 ZINC001191559505 900019507 /nfs/dbraw/zinc/01/95/07/900019507.db2.gz MMELRZAOJVYAQS-UHFFFAOYSA-N 1 2 269.268 0.525 20 30 CCEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001191872561 900022419 /nfs/dbraw/zinc/02/24/19/900022419.db2.gz JWXSSGXQENEBNV-XXILOJSOSA-N 1 2 292.339 0.112 20 30 CCEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001191872561 900022437 /nfs/dbraw/zinc/02/24/37/900022437.db2.gz JWXSSGXQENEBNV-XXILOJSOSA-N 1 2 292.339 0.112 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001489780555 900519874 /nfs/dbraw/zinc/51/98/74/900519874.db2.gz DKIPCHAOYCQICS-ZYHUDNBSSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC001490193432 900564994 /nfs/dbraw/zinc/56/49/94/900564994.db2.gz QLHYBCIAOOZMRB-NSHDSACASA-N 1 2 294.355 0.354 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC001490193432 900565007 /nfs/dbraw/zinc/56/50/07/900565007.db2.gz QLHYBCIAOOZMRB-NSHDSACASA-N 1 2 294.355 0.354 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(CCF)CC2)[nH]1 ZINC001490487621 900639865 /nfs/dbraw/zinc/63/98/65/900639865.db2.gz IOXZWYLMVQVKBZ-UHFFFAOYSA-N 1 2 293.346 0.203 20 30 CCEDLO N#Cc1ccc(C(=O)NCCN2CC[NH+](CCF)CC2)[nH]1 ZINC001490487621 900639869 /nfs/dbraw/zinc/63/98/69/900639869.db2.gz IOXZWYLMVQVKBZ-UHFFFAOYSA-N 1 2 293.346 0.203 20 30 CCEDLO C=CCCC(=O)N1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001299383462 900962186 /nfs/dbraw/zinc/96/21/86/900962186.db2.gz SFMGGAVJCJVHRC-UHFFFAOYSA-N 1 2 290.367 0.909 20 30 CCEDLO CCO[C@H](CC)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001323191371 901032619 /nfs/dbraw/zinc/03/26/19/901032619.db2.gz HQQBSOUOYRPLMU-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO CCO[C@H](CC)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001323191371 901032628 /nfs/dbraw/zinc/03/26/28/901032628.db2.gz HQQBSOUOYRPLMU-ZIAGYGMSSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001323286961 901044060 /nfs/dbraw/zinc/04/40/60/901044060.db2.gz JQRYTBHTTYMWQW-STQMWFEESA-N 1 2 279.384 0.505 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001323286961 901044069 /nfs/dbraw/zinc/04/40/69/901044069.db2.gz JQRYTBHTTYMWQW-STQMWFEESA-N 1 2 279.384 0.505 20 30 CCEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001327371933 914505216 /nfs/dbraw/zinc/50/52/16/914505216.db2.gz IMABNJQUWWFNIJ-ZDUSSCGKSA-N 1 2 290.367 0.419 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)n1 ZINC001412483588 901758794 /nfs/dbraw/zinc/75/87/94/901758794.db2.gz CXRIPKAXTRDFDY-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)n1 ZINC001412483588 901758804 /nfs/dbraw/zinc/75/88/04/901758804.db2.gz CXRIPKAXTRDFDY-NSHDSACASA-N 1 2 271.280 0.010 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001316611444 904296498 /nfs/dbraw/zinc/29/64/98/904296498.db2.gz RNCWPOOAGYAFAD-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001316611444 904296513 /nfs/dbraw/zinc/29/65/13/904296513.db2.gz RNCWPOOAGYAFAD-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)COC(C)C)C1 ZINC001282509534 904496566 /nfs/dbraw/zinc/49/65/66/904496566.db2.gz IFFJQTHGIFSZJH-UHFFFAOYSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1(CCO)C[NH+](CCOC)C1 ZINC001282530904 904500900 /nfs/dbraw/zinc/50/09/00/904500900.db2.gz XVNIZUASYQWXLY-CQSZACIVSA-N 1 2 284.400 0.788 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)C1 ZINC001282537489 904504818 /nfs/dbraw/zinc/50/48/18/904504818.db2.gz FIBNUBJDBZSOCC-LBPRGKRZSA-N 1 2 282.384 0.277 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C2CN(CC#N)C2)c[nH+]1 ZINC001282724091 904531836 /nfs/dbraw/zinc/53/18/36/904531836.db2.gz CUAUIGQEIXBWRF-LBPRGKRZSA-N 1 2 289.383 0.887 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001282775836 904539414 /nfs/dbraw/zinc/53/94/14/904539414.db2.gz ZQNNJGRBLATBQV-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COCC3CC3)C2)C1 ZINC001282775836 904539426 /nfs/dbraw/zinc/53/94/26/904539426.db2.gz ZQNNJGRBLATBQV-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)CCn1cc[nH+]c1 ZINC001283305337 904797471 /nfs/dbraw/zinc/79/74/71/904797471.db2.gz RMZSIKIMUQXPPI-NSHDSACASA-N 1 2 277.328 0.055 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001377374863 904814846 /nfs/dbraw/zinc/81/48/46/904814846.db2.gz DMQWKQSYNSCSHZ-QWHCGFSZSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001377374863 904814856 /nfs/dbraw/zinc/81/48/56/904814856.db2.gz DMQWKQSYNSCSHZ-QWHCGFSZSA-N 1 2 294.399 0.499 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@H]1C ZINC001283868132 905069405 /nfs/dbraw/zinc/06/94/05/905069405.db2.gz XFLXFJZQCCUDSZ-PWSUYJOCSA-N 1 2 296.396 0.820 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C[C@@H]1C ZINC001283967660 905101067 /nfs/dbraw/zinc/10/10/67/905101067.db2.gz ZCUVSVYHXPIWBC-QWRGUYRKSA-N 1 2 296.396 0.820 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(N)=O)[C@H]1C ZINC001284121766 905147328 /nfs/dbraw/zinc/14/73/28/905147328.db2.gz LNLOOLXMQOUBQZ-ZJUUUORDSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)[C@H]1C ZINC001284121766 905147331 /nfs/dbraw/zinc/14/73/31/905147331.db2.gz LNLOOLXMQOUBQZ-ZJUUUORDSA-N 1 2 273.764 0.583 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001377856651 905189384 /nfs/dbraw/zinc/18/93/84/905189384.db2.gz WZCCCJAAKSNRQO-JTQLQIEISA-N 1 2 288.779 0.378 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001377856651 905189389 /nfs/dbraw/zinc/18/93/89/905189389.db2.gz WZCCCJAAKSNRQO-JTQLQIEISA-N 1 2 288.779 0.378 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(NCC#N)C1 ZINC001284799930 905436936 /nfs/dbraw/zinc/43/69/36/905436936.db2.gz ZGZOQFUVCPPDAR-XSRFYTQQSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(NCC#N)C1 ZINC001284799930 905436953 /nfs/dbraw/zinc/43/69/53/905436953.db2.gz ZGZOQFUVCPPDAR-XSRFYTQQSA-N 1 2 275.356 0.691 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+](CCO)CC2)cs1 ZINC001290712054 906139061 /nfs/dbraw/zinc/13/90/61/906139061.db2.gz MBCJLLDAXMXEEW-UHFFFAOYSA-N 1 2 265.338 0.370 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001295517198 906753756 /nfs/dbraw/zinc/75/37/56/906753756.db2.gz IJHQAYKOFVKHPH-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO CON=CC(=O)N[C@@H]1CCOC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001337618883 921277063 /nfs/dbraw/zinc/27/70/63/921277063.db2.gz OKIONFLJOQQWES-MNOVXSKESA-N 1 2 293.327 0.103 20 30 CCEDLO CC(C)CNC(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001492246851 907801508 /nfs/dbraw/zinc/80/15/08/907801508.db2.gz FTOPMQPLUTYIHZ-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001492246851 907801519 /nfs/dbraw/zinc/80/15/19/907801519.db2.gz FTOPMQPLUTYIHZ-UHFFFAOYSA-N 1 2 295.427 0.856 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)CC ZINC001492260861 907814415 /nfs/dbraw/zinc/81/44/15/907814415.db2.gz CRWBLXVBEZQJSY-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)NC(=O)CC ZINC001492260861 907814437 /nfs/dbraw/zinc/81/44/37/907814437.db2.gz CRWBLXVBEZQJSY-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001492348246 907898413 /nfs/dbraw/zinc/89/84/13/907898413.db2.gz GIPXCCHUGIXOKO-IUODEOHRSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001492348246 907898421 /nfs/dbraw/zinc/89/84/21/907898421.db2.gz GIPXCCHUGIXOKO-IUODEOHRSA-N 1 2 279.384 0.527 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C3CC3)n2)C1 ZINC001303558602 908093995 /nfs/dbraw/zinc/09/39/95/908093995.db2.gz LVEDCMNQFBYDQP-GFCCVEGCSA-N 1 2 287.367 0.438 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2n[nH]c(C3CC3)n2)C1 ZINC001303558602 908094016 /nfs/dbraw/zinc/09/40/16/908094016.db2.gz LVEDCMNQFBYDQP-GFCCVEGCSA-N 1 2 287.367 0.438 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001317443495 908239985 /nfs/dbraw/zinc/23/99/85/908239985.db2.gz QEHQZLNMJXTVAE-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001317443495 908239992 /nfs/dbraw/zinc/23/99/92/908239992.db2.gz QEHQZLNMJXTVAE-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](COCC)C(=O)OC ZINC001307592953 908326201 /nfs/dbraw/zinc/32/62/01/908326201.db2.gz RWQJUTZVTCOAIC-VXGBXAGGSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](COCC)C(=O)OC ZINC001307592953 908326219 /nfs/dbraw/zinc/32/62/19/908326219.db2.gz RWQJUTZVTCOAIC-VXGBXAGGSA-N 1 2 259.346 0.823 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001316939239 908695796 /nfs/dbraw/zinc/69/57/96/908695796.db2.gz FAIKBCXMYGPKBM-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001316939239 908695804 /nfs/dbraw/zinc/69/58/04/908695804.db2.gz FAIKBCXMYGPKBM-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CCCC1 ZINC001316982696 908711729 /nfs/dbraw/zinc/71/17/29/908711729.db2.gz WYYICTYTVYBIQK-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCCC1 ZINC001316982696 908711739 /nfs/dbraw/zinc/71/17/39/908711739.db2.gz WYYICTYTVYBIQK-GFCCVEGCSA-N 1 2 292.383 0.397 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnnn1C ZINC001316888726 908821272 /nfs/dbraw/zinc/82/12/72/908821272.db2.gz OASIWCONHIIHBQ-QWRGUYRKSA-N 1 2 293.375 0.259 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnnn1C ZINC001316888726 908821284 /nfs/dbraw/zinc/82/12/84/908821284.db2.gz OASIWCONHIIHBQ-QWRGUYRKSA-N 1 2 293.375 0.259 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001316964971 908873184 /nfs/dbraw/zinc/87/31/84/908873184.db2.gz MFPIZGUPDIAUHZ-CABCVRRESA-N 1 2 293.411 0.169 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001316988012 908898351 /nfs/dbraw/zinc/89/83/51/908898351.db2.gz WMOVNPIRWYVTJM-HZSPNIEDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001316988012 908898368 /nfs/dbraw/zinc/89/83/68/908898368.db2.gz WMOVNPIRWYVTJM-HZSPNIEDSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001316985795 908899109 /nfs/dbraw/zinc/89/91/09/908899109.db2.gz NGUHVWQQQJRYPP-LBPRGKRZSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001316985795 908899125 /nfs/dbraw/zinc/89/91/25/908899125.db2.gz NGUHVWQQQJRYPP-LBPRGKRZSA-N 1 2 277.372 0.862 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(=O)NC ZINC001317044695 908940527 /nfs/dbraw/zinc/94/05/27/908940527.db2.gz KBEGTDSPCFXTJA-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(=O)NC ZINC001317044695 908940535 /nfs/dbraw/zinc/94/05/35/908940535.db2.gz KBEGTDSPCFXTJA-BETUJISGSA-N 1 2 277.368 0.211 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001387592932 909159865 /nfs/dbraw/zinc/15/98/65/909159865.db2.gz HILMZIYOCGRZAA-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[N@@H+](CCNC(=O)CSCC#N)Cc1ccns1 ZINC001317438064 909197730 /nfs/dbraw/zinc/19/77/30/909197730.db2.gz BNJKFMPJHLDPCU-UHFFFAOYSA-N 1 2 284.410 0.948 20 30 CCEDLO C[N@H+](CCNC(=O)CSCC#N)Cc1ccns1 ZINC001317438064 909197718 /nfs/dbraw/zinc/19/77/18/909197718.db2.gz BNJKFMPJHLDPCU-UHFFFAOYSA-N 1 2 284.410 0.948 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccs1 ZINC001317439939 909201489 /nfs/dbraw/zinc/20/14/89/909201489.db2.gz ZJFDSPKRSFMJRX-UHFFFAOYSA-N 1 2 281.381 0.712 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccs1 ZINC001317439939 909201504 /nfs/dbraw/zinc/20/15/04/909201504.db2.gz ZJFDSPKRSFMJRX-UHFFFAOYSA-N 1 2 281.381 0.712 20 30 CCEDLO C/C=C(\C)C(=O)NCC[N@@H+](C)CC(=O)N(CC)CCC#N ZINC001317444344 909214195 /nfs/dbraw/zinc/21/41/95/909214195.db2.gz QGKMZCBXIUQRFK-WLRTZDKTSA-N 1 2 294.399 0.763 20 30 CCEDLO C/C=C(\C)C(=O)NCC[N@H+](C)CC(=O)N(CC)CCC#N ZINC001317444344 909214208 /nfs/dbraw/zinc/21/42/08/909214208.db2.gz QGKMZCBXIUQRFK-WLRTZDKTSA-N 1 2 294.399 0.763 20 30 CCEDLO C[N@H+](CCNC(=O)[C@@H]1CCC1(C)C)CC(=O)NCC#N ZINC001317456759 909228918 /nfs/dbraw/zinc/22/89/18/909228918.db2.gz GOQXXEVCRKJGHP-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC1(C)C)CC(=O)NCC#N ZINC001317456759 909228932 /nfs/dbraw/zinc/22/89/32/909228932.db2.gz GOQXXEVCRKJGHP-NSHDSACASA-N 1 2 280.372 0.110 20 30 CCEDLO C[N@H+](CCNC(=O)[C@H]1CCC1(C)C)CC(=O)NCC#N ZINC001317456758 909232108 /nfs/dbraw/zinc/23/21/08/909232108.db2.gz GOQXXEVCRKJGHP-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)[C@H]1CCC1(C)C)CC(=O)NCC#N ZINC001317456758 909232119 /nfs/dbraw/zinc/23/21/19/909232119.db2.gz GOQXXEVCRKJGHP-LLVKDONJSA-N 1 2 280.372 0.110 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001317491710 909260598 /nfs/dbraw/zinc/26/05/98/909260598.db2.gz LUZPORVETGNBBL-LBPRGKRZSA-N 1 2 291.351 0.776 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001317491710 909260612 /nfs/dbraw/zinc/26/06/12/909260612.db2.gz LUZPORVETGNBBL-LBPRGKRZSA-N 1 2 291.351 0.776 20 30 CCEDLO CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493835 909269283 /nfs/dbraw/zinc/26/92/83/909269283.db2.gz GTLRBNKFPXPRBD-GFCCVEGCSA-N 1 2 280.372 0.397 20 30 CCEDLO CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493835 909269294 /nfs/dbraw/zinc/26/92/94/909269294.db2.gz GTLRBNKFPXPRBD-GFCCVEGCSA-N 1 2 280.372 0.397 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001317735890 909480188 /nfs/dbraw/zinc/48/01/88/909480188.db2.gz YAQVXCGGTQPRST-TXEJJXNPSA-N 1 2 279.384 0.749 20 30 CCEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001317735890 909480194 /nfs/dbraw/zinc/48/01/94/909480194.db2.gz YAQVXCGGTQPRST-TXEJJXNPSA-N 1 2 279.384 0.749 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001317818509 909511037 /nfs/dbraw/zinc/51/10/37/909511037.db2.gz CPRHUGDEHMAKCN-LSDHHAIUSA-N 1 2 295.427 0.673 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001317930051 909544145 /nfs/dbraw/zinc/54/41/45/909544145.db2.gz CQQOQGQBGMRCSF-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001317930051 909544150 /nfs/dbraw/zinc/54/41/50/909544150.db2.gz CQQOQGQBGMRCSF-GFCCVEGCSA-N 1 2 277.368 0.117 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001317936327 909544271 /nfs/dbraw/zinc/54/42/71/909544271.db2.gz QTKKQBUTWRBJAP-GFCCVEGCSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001317936327 909544281 /nfs/dbraw/zinc/54/42/81/909544281.db2.gz QTKKQBUTWRBJAP-GFCCVEGCSA-N 1 2 293.392 0.987 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCCCc2c[nH]nn2)C1 ZINC001318046599 909595823 /nfs/dbraw/zinc/59/58/23/909595823.db2.gz BYMHDUAQXFUBBN-UHFFFAOYSA-N 1 2 275.356 0.341 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001318192542 909662784 /nfs/dbraw/zinc/66/27/84/909662784.db2.gz DKGYWLNOYIWMNB-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001318192542 909662788 /nfs/dbraw/zinc/66/27/88/909662788.db2.gz DKGYWLNOYIWMNB-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO CCON(CC)C(=O)C[NH2+]C[C@@H](C#N)CCC#N ZINC001338567711 921513866 /nfs/dbraw/zinc/51/38/66/921513866.db2.gz PXJMGVCFHKTHML-LLVKDONJSA-N 1 2 252.318 0.820 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001318310192 909702050 /nfs/dbraw/zinc/70/20/50/909702050.db2.gz IHSJONFUVHXDPZ-MRXNPFEDSA-N 1 2 299.374 0.365 20 30 CCEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001318310192 909702055 /nfs/dbraw/zinc/70/20/55/909702055.db2.gz IHSJONFUVHXDPZ-MRXNPFEDSA-N 1 2 299.374 0.365 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001318453256 909765472 /nfs/dbraw/zinc/76/54/72/909765472.db2.gz KJRDIHUCYMVMDJ-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001318453256 909765478 /nfs/dbraw/zinc/76/54/78/909765478.db2.gz KJRDIHUCYMVMDJ-SNVBAGLBSA-N 1 2 289.326 0.477 20 30 CCEDLO C[C@H](CNCC#N)CNC(=O)c1cccc2[nH+]ccn21 ZINC001319213526 910042060 /nfs/dbraw/zinc/04/20/60/910042060.db2.gz HPGNXZVRYTVZBA-LLVKDONJSA-N 1 2 271.324 0.813 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001319322254 910096425 /nfs/dbraw/zinc/09/64/25/910096425.db2.gz JFEGUKFDPREHFZ-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001319322254 910096436 /nfs/dbraw/zinc/09/64/36/910096436.db2.gz JFEGUKFDPREHFZ-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC=CCC1 ZINC001319976457 910382720 /nfs/dbraw/zinc/38/27/20/910382720.db2.gz JXTOGGNRNBUYLV-ZDUSSCGKSA-N 1 2 292.383 0.373 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC=CCC1 ZINC001319976457 910382730 /nfs/dbraw/zinc/38/27/30/910382730.db2.gz JXTOGGNRNBUYLV-ZDUSSCGKSA-N 1 2 292.383 0.373 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001319981319 910395861 /nfs/dbraw/zinc/39/58/61/910395861.db2.gz NTTBWYLLGLVCQR-UHFFFAOYSA-N 1 2 280.372 0.513 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001319981319 910395874 /nfs/dbraw/zinc/39/58/74/910395874.db2.gz NTTBWYLLGLVCQR-UHFFFAOYSA-N 1 2 280.372 0.513 20 30 CCEDLO C=CC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)C(C)(C)C ZINC001320069206 910449575 /nfs/dbraw/zinc/44/95/75/910449575.db2.gz SLWLVJSCKJJBPK-UHFFFAOYSA-N 1 2 290.429 0.776 20 30 CCEDLO C=CC[N@H+](C)CCN(C)C(=O)CS(=O)(=O)C(C)(C)C ZINC001320069206 910449588 /nfs/dbraw/zinc/44/95/88/910449588.db2.gz SLWLVJSCKJJBPK-UHFFFAOYSA-N 1 2 290.429 0.776 20 30 CCEDLO C=CCCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nc(C)no1 ZINC001320200000 910511635 /nfs/dbraw/zinc/51/16/35/910511635.db2.gz DNDRTYKLXOMWTI-MWLCHTKSSA-N 1 2 282.344 0.472 20 30 CCEDLO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001320423429 910670758 /nfs/dbraw/zinc/67/07/58/910670758.db2.gz WDBHCYYYAKDNPP-SNVBAGLBSA-N 1 2 271.324 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001391072776 910850767 /nfs/dbraw/zinc/85/07/67/910850767.db2.gz FISULGWHDRSFQW-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001391072776 910850784 /nfs/dbraw/zinc/85/07/84/910850784.db2.gz FISULGWHDRSFQW-LLVKDONJSA-N 1 2 283.763 0.611 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001391081310 910855605 /nfs/dbraw/zinc/85/56/05/910855605.db2.gz AXKDWAWYLQLHOZ-MWLCHTKSSA-N 1 2 293.396 0.944 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001391081310 910855617 /nfs/dbraw/zinc/85/56/17/910855617.db2.gz AXKDWAWYLQLHOZ-MWLCHTKSSA-N 1 2 293.396 0.944 20 30 CCEDLO N#CCSCC(=O)NC/C=C/C[NH2+]Cc1csnn1 ZINC001320969185 910969209 /nfs/dbraw/zinc/96/92/09/910969209.db2.gz FVBCSFZMVUXNDE-OWOJBTEDSA-N 1 2 297.409 0.557 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001339438432 921727348 /nfs/dbraw/zinc/72/73/48/921727348.db2.gz NWPZHVVFOAYDFT-UHFFFAOYSA-N 1 2 256.265 0.435 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001323181528 912160649 /nfs/dbraw/zinc/16/06/49/912160649.db2.gz LQBSYACQFPBHTK-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001323181528 912160653 /nfs/dbraw/zinc/16/06/53/912160653.db2.gz LQBSYACQFPBHTK-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001323197266 912172223 /nfs/dbraw/zinc/17/22/23/912172223.db2.gz CNKUXNWDDKACOQ-WCQYABFASA-N 1 2 258.325 0.932 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001323197266 912172234 /nfs/dbraw/zinc/17/22/34/912172234.db2.gz CNKUXNWDDKACOQ-WCQYABFASA-N 1 2 258.325 0.932 20 30 CCEDLO C=CCN1CCN(C[N@@H+](C)CCN(C)C(=O)OC)C1=O ZINC001328028044 914931693 /nfs/dbraw/zinc/93/16/93/914931693.db2.gz ZUQOOPIEDHHLKS-UHFFFAOYSA-N 1 2 284.360 0.498 20 30 CCEDLO C=CCN1CCN(C[N@H+](C)CCN(C)C(=O)OC)C1=O ZINC001328028044 914931709 /nfs/dbraw/zinc/93/17/09/914931709.db2.gz ZUQOOPIEDHHLKS-UHFFFAOYSA-N 1 2 284.360 0.498 20 30 CCEDLO C#CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001328131898 914987596 /nfs/dbraw/zinc/98/75/96/914987596.db2.gz PHHWEZJTFQSLIC-AWEZNQCLSA-N 1 2 292.427 0.677 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N ZINC001399417820 915161725 /nfs/dbraw/zinc/16/17/25/915161725.db2.gz ITVJUADTVRMBRR-VHSXEESVSA-N 1 2 291.355 0.289 20 30 CCEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001399910054 915437782 /nfs/dbraw/zinc/43/77/82/915437782.db2.gz YYXVZTUBLPGBML-NEPJUHHUSA-N 1 2 290.371 0.396 20 30 CCEDLO CCn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001399910054 915437791 /nfs/dbraw/zinc/43/77/91/915437791.db2.gz YYXVZTUBLPGBML-NEPJUHHUSA-N 1 2 290.371 0.396 20 30 CCEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC001339660189 921788710 /nfs/dbraw/zinc/78/87/10/921788710.db2.gz VBXLEOKAWFHJFL-GFCCVEGCSA-N 1 2 294.384 0.172 20 30 CCEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC001339660189 921788732 /nfs/dbraw/zinc/78/87/32/921788732.db2.gz VBXLEOKAWFHJFL-GFCCVEGCSA-N 1 2 294.384 0.172 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001400604689 915824458 /nfs/dbraw/zinc/82/44/58/915824458.db2.gz IJPHORDZZUDMJY-JTQLQIEISA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001400604689 915824474 /nfs/dbraw/zinc/82/44/74/915824474.db2.gz IJPHORDZZUDMJY-JTQLQIEISA-N 1 2 283.763 0.680 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 ZINC001400687833 915859303 /nfs/dbraw/zinc/85/93/03/915859303.db2.gz CPJQGOBORQIPON-RISCZKNCSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 ZINC001400687833 915859322 /nfs/dbraw/zinc/85/93/22/915859322.db2.gz CPJQGOBORQIPON-RISCZKNCSA-N 1 2 287.367 0.977 20 30 CCEDLO C[C@H](CNC(=O)c1nnc[nH]1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032330 /nfs/dbraw/zinc/03/23/30/916032330.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032340 /nfs/dbraw/zinc/03/23/40/916032340.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032355 /nfs/dbraw/zinc/03/23/55/916032355.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032372 /nfs/dbraw/zinc/03/23/72/916032372.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032391 /nfs/dbraw/zinc/03/23/91/916032391.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)CC#Cc1ccccc1 ZINC001329576985 916032412 /nfs/dbraw/zinc/03/24/12/916032412.db2.gz UVZHJJROVNQRSJ-CYBMUJFWSA-N 1 2 297.362 0.907 20 30 CCEDLO C[C@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2ccnn2C)C1 ZINC001329998656 916345466 /nfs/dbraw/zinc/34/54/66/916345466.db2.gz UJPBNRANCKWQFA-LBPRGKRZSA-N 1 2 286.379 0.770 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001401735706 916534708 /nfs/dbraw/zinc/53/47/08/916534708.db2.gz PCHPFNOEOMBQOD-GHMZBOCLSA-N 1 2 292.387 0.703 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001401735706 916534714 /nfs/dbraw/zinc/53/47/14/916534714.db2.gz PCHPFNOEOMBQOD-GHMZBOCLSA-N 1 2 292.387 0.703 20 30 CCEDLO COC(=O)NC1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001330699044 916797356 /nfs/dbraw/zinc/79/73/56/916797356.db2.gz YIIFQIRWSRGPHC-JTQLQIEISA-N 1 2 253.302 0.081 20 30 CCEDLO C=CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC001331154970 917135877 /nfs/dbraw/zinc/13/58/77/917135877.db2.gz FWTHKDBYVHXNRC-SECBINFHSA-N 1 2 251.286 0.576 20 30 CCEDLO C=C[C@@H](COC)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001331695121 917519682 /nfs/dbraw/zinc/51/96/82/917519682.db2.gz IOAWNRGFRCOUAN-ZDUSSCGKSA-N 1 2 291.351 0.632 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001331877870 917680040 /nfs/dbraw/zinc/68/00/40/917680040.db2.gz JCEIWLBOSXNIGP-NWDGAFQWSA-N 1 2 290.371 0.093 20 30 CCEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001404867267 918499457 /nfs/dbraw/zinc/49/94/57/918499457.db2.gz ALWNVTKDUJWDHY-NEPJUHHUSA-N 1 2 294.399 0.355 20 30 CCEDLO C#CCCn1nnnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001334348673 919515253 /nfs/dbraw/zinc/51/52/53/919515253.db2.gz QQYJRBYOCUQWGO-UHFFFAOYSA-N 1 2 298.354 0.121 20 30 CCEDLO C#CC[N@H+](CC)CCNC(=O)c1coc(S(C)(=O)=O)c1 ZINC001492957694 919574358 /nfs/dbraw/zinc/57/43/58/919574358.db2.gz ZHKCXHQZGOQEBV-UHFFFAOYSA-N 1 2 298.364 0.368 20 30 CCEDLO C#CC[N@@H+](CC)CCNC(=O)c1coc(S(C)(=O)=O)c1 ZINC001492957694 919574372 /nfs/dbraw/zinc/57/43/72/919574372.db2.gz ZHKCXHQZGOQEBV-UHFFFAOYSA-N 1 2 298.364 0.368 20 30 CCEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001418091009 921822565 /nfs/dbraw/zinc/82/25/65/921822565.db2.gz XTWCQAPQQABLDR-GISOBZBCSA-N 1 2 277.328 0.836 20 30 CCEDLO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1ccccc1C#N ZINC001418294839 922004410 /nfs/dbraw/zinc/00/44/10/922004410.db2.gz OLCFCBJQJVZTLR-SNVBAGLBSA-N 1 2 284.323 0.584 20 30 CCEDLO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1ccccc1C#N ZINC001418294839 922004416 /nfs/dbraw/zinc/00/44/16/922004416.db2.gz OLCFCBJQJVZTLR-SNVBAGLBSA-N 1 2 284.323 0.584 20 30 CCEDLO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001418482557 922170489 /nfs/dbraw/zinc/17/04/89/922170489.db2.gz LYAUGFMSSMPWQD-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO Cc1nn[nH]c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001418482557 922170491 /nfs/dbraw/zinc/17/04/91/922170491.db2.gz LYAUGFMSSMPWQD-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)CO)n2C)CC1 ZINC001341505986 922520934 /nfs/dbraw/zinc/52/09/34/922520934.db2.gz YKBCJGMVOCPZAU-GFCCVEGCSA-N 1 2 277.372 0.056 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CNC(=O)CC)C1 ZINC001419008954 922566895 /nfs/dbraw/zinc/56/68/95/922566895.db2.gz AZJCZGCEJCXUEU-UHFFFAOYSA-N 1 2 273.764 0.313 20 30 CCEDLO C#CC1CCN(c2nnc([C@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001341720289 922645401 /nfs/dbraw/zinc/64/54/01/922645401.db2.gz SXMZKOFVZPIRSI-CHWSQXEVSA-N 1 2 289.383 0.402 20 30 CCEDLO C#CC1CCN(c2nnc([C@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001341720289 922645409 /nfs/dbraw/zinc/64/54/09/922645409.db2.gz SXMZKOFVZPIRSI-CHWSQXEVSA-N 1 2 289.383 0.402 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001419545334 922906903 /nfs/dbraw/zinc/90/69/03/922906903.db2.gz QCBZRENBJUUVPH-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001419545334 922906907 /nfs/dbraw/zinc/90/69/07/922906907.db2.gz QCBZRENBJUUVPH-NEPJUHHUSA-N 1 2 290.371 0.303 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001419727709 923051580 /nfs/dbraw/zinc/05/15/80/923051580.db2.gz LCUPFFMIDBSKOP-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001420349095 923569819 /nfs/dbraw/zinc/56/98/19/923569819.db2.gz IHSXQOZOHAWWMC-NSHDSACASA-N 1 2 297.790 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001420349095 923569828 /nfs/dbraw/zinc/56/98/28/923569828.db2.gz IHSXQOZOHAWWMC-NSHDSACASA-N 1 2 297.790 0.641 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001420645861 923846730 /nfs/dbraw/zinc/84/67/30/923846730.db2.gz YRFARMGIMIQTPE-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001420645861 923846743 /nfs/dbraw/zinc/84/67/43/923846743.db2.gz YRFARMGIMIQTPE-MNOVXSKESA-N 1 2 287.791 0.844 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001346766908 924306020 /nfs/dbraw/zinc/30/60/20/924306020.db2.gz MWXIMHJRSZNSON-UKRRQHHQSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CC1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001346766908 924306028 /nfs/dbraw/zinc/30/60/28/924306028.db2.gz MWXIMHJRSZNSON-UKRRQHHQSA-N 1 2 292.427 0.676 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001347183582 924392055 /nfs/dbraw/zinc/39/20/55/924392055.db2.gz ANYPBABLQWRPTD-TZMCWYRMSA-N 1 2 280.416 0.981 20 30 CCEDLO C=CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001347183582 924392052 /nfs/dbraw/zinc/39/20/52/924392052.db2.gz ANYPBABLQWRPTD-TZMCWYRMSA-N 1 2 280.416 0.981 20 30 CCEDLO C#CC1(O)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001347238302 924405085 /nfs/dbraw/zinc/40/50/85/924405085.db2.gz COYIKQYGZYPEFW-UHFFFAOYSA-N 1 2 262.313 0.053 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001479909818 924697514 /nfs/dbraw/zinc/69/75/14/924697514.db2.gz RPDPJBMSEIQRIP-CYBMUJFWSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001479909818 924697517 /nfs/dbraw/zinc/69/75/17/924697517.db2.gz RPDPJBMSEIQRIP-CYBMUJFWSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC001349469148 924967718 /nfs/dbraw/zinc/96/77/18/924967718.db2.gz ZSXMNFYPSIRNAK-OCCSQVGLSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC001349469148 924967722 /nfs/dbraw/zinc/96/77/22/924967722.db2.gz ZSXMNFYPSIRNAK-OCCSQVGLSA-N 1 2 278.400 0.428 20 30 CCEDLO C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001353761854 925926618 /nfs/dbraw/zinc/92/66/18/925926618.db2.gz OHYWVLCPMYSJJB-TXEJJXNPSA-N 1 2 288.351 0.519 20 30 CCEDLO C=CCCCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001354516129 926122922 /nfs/dbraw/zinc/12/29/22/926122922.db2.gz HVXNPGKFWXTFPM-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](CC)OC)CC1 ZINC001300685107 926148899 /nfs/dbraw/zinc/14/88/99/926148899.db2.gz GJZVJIANOCBNNR-CQSZACIVSA-N 1 2 291.399 0.767 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001356254771 926360681 /nfs/dbraw/zinc/36/06/81/926360681.db2.gz WNJKQJLSIQIFEX-RYUDHWBXSA-N 1 2 281.356 0.331 20 30 CCEDLO COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001356254771 926360690 /nfs/dbraw/zinc/36/06/90/926360690.db2.gz WNJKQJLSIQIFEX-RYUDHWBXSA-N 1 2 281.356 0.331 20 30 CCEDLO CN(CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)C#CC1CC1 ZINC001357216035 926497905 /nfs/dbraw/zinc/49/79/05/926497905.db2.gz IOTAGUWPVKZSEL-UHFFFAOYSA-N 1 2 288.351 0.213 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001358867608 926854549 /nfs/dbraw/zinc/85/45/49/926854549.db2.gz GLJOIBDGHTVIHW-CHWSQXEVSA-N 1 2 290.367 0.812 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC001362110572 927625588 /nfs/dbraw/zinc/62/55/88/927625588.db2.gz NSZMMSNYZWNAGZ-CQSZACIVSA-N 1 2 289.383 0.953 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001425229912 928470320 /nfs/dbraw/zinc/47/03/20/928470320.db2.gz MWHLSGRRZFVNDE-MNOVXSKESA-N 1 2 299.802 0.702 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cncs1 ZINC001426156672 928775698 /nfs/dbraw/zinc/77/56/98/928775698.db2.gz UCUZYOMKWFXLMZ-LLVKDONJSA-N 1 2 296.396 0.867 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cncs1 ZINC001426156672 928775706 /nfs/dbraw/zinc/77/57/06/928775706.db2.gz UCUZYOMKWFXLMZ-LLVKDONJSA-N 1 2 296.396 0.867 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001426821014 928926337 /nfs/dbraw/zinc/92/63/37/928926337.db2.gz LLPZFJXSEAHRDM-WDEREUQCSA-N 1 2 277.328 0.006 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC001363785135 929571102 /nfs/dbraw/zinc/57/11/02/929571102.db2.gz GFOWQTWXUDTUEY-SNVBAGLBSA-N 1 2 281.312 0.216 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001443993879 929762038 /nfs/dbraw/zinc/76/20/38/929762038.db2.gz NLACFAPYTYGPOH-QWRGUYRKSA-N 1 2 291.355 0.465 20 30 CCEDLO Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)nn1C ZINC001444957378 929982410 /nfs/dbraw/zinc/98/24/10/929982410.db2.gz OPHIWONWUYENOK-LLVKDONJSA-N 1 2 277.372 0.778 20 30 CCEDLO Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)nn1C ZINC001444957378 929982418 /nfs/dbraw/zinc/98/24/18/929982418.db2.gz OPHIWONWUYENOK-LLVKDONJSA-N 1 2 277.372 0.778 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001445778893 930247104 /nfs/dbraw/zinc/24/71/04/930247104.db2.gz DLFPBBQQLZZBDV-GHMZBOCLSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001445778893 930247111 /nfs/dbraw/zinc/24/71/11/930247111.db2.gz DLFPBBQQLZZBDV-GHMZBOCLSA-N 1 2 287.791 0.796 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446666597 930457426 /nfs/dbraw/zinc/45/74/26/930457426.db2.gz HVPXOVUSIMVCIW-QWRGUYRKSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@H](C#N)C(=O)N(CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001374258543 930469306 /nfs/dbraw/zinc/46/93/06/930469306.db2.gz HQQFDCCLEPJYHD-LLVKDONJSA-N 1 2 289.339 0.150 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001448033258 930794978 /nfs/dbraw/zinc/79/49/78/930794978.db2.gz LCTCGINTGXZRIW-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001448033258 930794983 /nfs/dbraw/zinc/79/49/83/930794983.db2.gz LCTCGINTGXZRIW-QWRGUYRKSA-N 1 2 287.791 0.702 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001449628727 931172968 /nfs/dbraw/zinc/17/29/68/931172968.db2.gz CUBVQKDZKYCZNW-MNOVXSKESA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001449628731 931172998 /nfs/dbraw/zinc/17/29/98/931172998.db2.gz CUBVQKDZKYCZNW-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001450685193 931325192 /nfs/dbraw/zinc/32/51/92/931325192.db2.gz CAQYNZUHJCUBNG-JTQLQIEISA-N 1 2 289.339 0.077 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599580146 361751459 /nfs/dbraw/zinc/75/14/59/361751459.db2.gz HHKGYONLZIGLSW-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599580146 361751460 /nfs/dbraw/zinc/75/14/60/361751460.db2.gz HHKGYONLZIGLSW-RYUDHWBXSA-N 1 2 285.340 0.616 20 30 CCEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1C#N ZINC000599663981 361777886 /nfs/dbraw/zinc/77/78/86/361777886.db2.gz JRQRVTVSCKNYEJ-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1C#N ZINC000599663981 361777896 /nfs/dbraw/zinc/77/78/96/361777896.db2.gz JRQRVTVSCKNYEJ-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000599667411 361779391 /nfs/dbraw/zinc/77/93/91/361779391.db2.gz FQQRSLKASYGBCD-CYBMUJFWSA-N 1 2 287.319 0.399 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000599667411 361779397 /nfs/dbraw/zinc/77/93/97/361779397.db2.gz FQQRSLKASYGBCD-CYBMUJFWSA-N 1 2 287.319 0.399 20 30 CCEDLO C[C@]1(CO)C[N@@H+](Cc2ccncc2C#N)C[C@@]1(C)CO ZINC000599622867 361762117 /nfs/dbraw/zinc/76/21/17/361762117.db2.gz FPRBYLDKQDNQMS-GASCZTMLSA-N 1 2 275.352 0.766 20 30 CCEDLO C[C@]1(CO)C[N@H+](Cc2ccncc2C#N)C[C@@]1(C)CO ZINC000599622867 361762121 /nfs/dbraw/zinc/76/21/21/361762121.db2.gz FPRBYLDKQDNQMS-GASCZTMLSA-N 1 2 275.352 0.766 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000599692182 361789694 /nfs/dbraw/zinc/78/96/94/361789694.db2.gz HZUTYYGTVUNWJR-DZGCQCFKSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(COC)C1 ZINC000599692182 361789696 /nfs/dbraw/zinc/78/96/96/361789696.db2.gz HZUTYYGTVUNWJR-DZGCQCFKSA-N 1 2 297.399 0.732 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000600420089 361955996 /nfs/dbraw/zinc/95/59/96/361955996.db2.gz INOVRGUAXCUSOH-SNVBAGLBSA-N 1 2 295.289 0.897 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000600420089 361956001 /nfs/dbraw/zinc/95/60/01/361956001.db2.gz INOVRGUAXCUSOH-SNVBAGLBSA-N 1 2 295.289 0.897 20 30 CCEDLO CCC(C#N)(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600421019 361957680 /nfs/dbraw/zinc/95/76/80/361957680.db2.gz SXMJHIYHQPVRLM-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CCC(C#N)(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600421019 361957683 /nfs/dbraw/zinc/95/76/83/361957683.db2.gz SXMJHIYHQPVRLM-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC#N)CC1 ZINC000103882242 349704636 /nfs/dbraw/zinc/70/46/36/349704636.db2.gz CTMWRMCPWUABAQ-LBPRGKRZSA-N 1 2 250.346 0.138 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110490723 349760872 /nfs/dbraw/zinc/76/08/72/349760872.db2.gz FIFRNOYBKSAXSJ-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110490723 349760877 /nfs/dbraw/zinc/76/08/77/349760877.db2.gz FIFRNOYBKSAXSJ-LBPRGKRZSA-N 1 2 295.364 0.167 20 30 CCEDLO Cc1c(C#N)c(=O)n(CCc2c[nH+]cn2C)c(=O)n1C1CC1 ZINC000601093522 362147643 /nfs/dbraw/zinc/14/76/43/362147643.db2.gz XZCPAWMBKLAJNI-UHFFFAOYSA-N 1 2 299.334 0.501 20 30 CCEDLO N#Cc1cc(NCC[NH+]2CCOCC2)nc(C2CC2)n1 ZINC000601099092 362148765 /nfs/dbraw/zinc/14/87/65/362148765.db2.gz RZEGNAFZTKHPAN-UHFFFAOYSA-N 1 2 273.340 0.392 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601113978 362152112 /nfs/dbraw/zinc/15/21/12/362152112.db2.gz LDVRPJZVTZNXGC-NSHDSACASA-N 1 2 287.367 0.780 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601113978 362152114 /nfs/dbraw/zinc/15/21/14/362152114.db2.gz LDVRPJZVTZNXGC-NSHDSACASA-N 1 2 287.367 0.780 20 30 CCEDLO Cc1cc(N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(C#N)c[nH+]1 ZINC000601213374 362180070 /nfs/dbraw/zinc/18/00/70/362180070.db2.gz BERFIZIQLFWPAI-GASCZTMLSA-N 1 2 284.319 0.751 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC[NH+]1CCC1 ZINC000601375861 362248925 /nfs/dbraw/zinc/24/89/25/362248925.db2.gz SMNGXQBAOZUCMC-UHFFFAOYSA-N 1 2 297.355 0.990 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000329136981 529788174 /nfs/dbraw/zinc/78/81/74/529788174.db2.gz HIWYBHYHUJAENE-YPMHNXCESA-N 1 2 271.361 0.390 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000329136981 529788176 /nfs/dbraw/zinc/78/81/76/529788176.db2.gz HIWYBHYHUJAENE-YPMHNXCESA-N 1 2 271.361 0.390 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000332031048 529824680 /nfs/dbraw/zinc/82/46/80/529824680.db2.gz VYQFWOQZJQOIIL-NSHDSACASA-N 1 2 294.355 0.375 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000332031048 529824682 /nfs/dbraw/zinc/82/46/82/529824682.db2.gz VYQFWOQZJQOIIL-NSHDSACASA-N 1 2 294.355 0.375 20 30 CCEDLO N#CC1(C[C@@H](O)C[NH+]2CC(OC(F)F)C2)CCOCC1 ZINC000601955673 362436363 /nfs/dbraw/zinc/43/63/63/362436363.db2.gz AIJAZAMHIZVWFT-SNVBAGLBSA-N 1 2 290.310 0.981 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602029820 362464161 /nfs/dbraw/zinc/46/41/61/362464161.db2.gz YQAKDTYTJRXKBO-QWHCGFSZSA-N 1 2 298.339 0.599 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000358420747 232100837 /nfs/dbraw/zinc/10/08/37/232100837.db2.gz YIIHTCCKHDQNME-CYBMUJFWSA-N 1 2 286.335 0.124 20 30 CCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000358420747 232100841 /nfs/dbraw/zinc/10/08/41/232100841.db2.gz YIIHTCCKHDQNME-CYBMUJFWSA-N 1 2 286.335 0.124 20 30 CCEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@H]1CCS(=O)(=O)C1 ZINC000602434838 362614438 /nfs/dbraw/zinc/61/44/38/362614438.db2.gz SBHAEICNYNHPRJ-ZDUSSCGKSA-N 1 2 279.365 0.962 20 30 CCEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCS(=O)(=O)C1 ZINC000602434838 362614443 /nfs/dbraw/zinc/61/44/43/362614443.db2.gz SBHAEICNYNHPRJ-ZDUSSCGKSA-N 1 2 279.365 0.962 20 30 CCEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602373952 362600992 /nfs/dbraw/zinc/60/09/92/362600992.db2.gz YVDDHXGMKWLVOS-NSHDSACASA-N 1 2 268.361 0.508 20 30 CCEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602373952 362600998 /nfs/dbraw/zinc/60/09/98/362600998.db2.gz YVDDHXGMKWLVOS-NSHDSACASA-N 1 2 268.361 0.508 20 30 CCEDLO N#Cc1cccc(CNCC[NH+]2CCC(O)CC2)n1 ZINC000602679064 362745458 /nfs/dbraw/zinc/74/54/58/362745458.db2.gz AFYKSUXRRIWSDT-UHFFFAOYSA-N 1 2 260.341 0.500 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2[nH]ccc2C)c1C#N ZINC000573784378 334965734 /nfs/dbraw/zinc/96/57/34/334965734.db2.gz VTDNMYRQKONBDO-UHFFFAOYSA-N 1 2 286.339 0.744 20 30 CCEDLO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000602734175 362774773 /nfs/dbraw/zinc/77/47/73/362774773.db2.gz FJJJTMBXTIFRGI-RYUDHWBXSA-N 1 2 289.401 0.176 20 30 CCEDLO C[C@@H](CCC#N)C[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000602734175 362774779 /nfs/dbraw/zinc/77/47/79/362774779.db2.gz FJJJTMBXTIFRGI-RYUDHWBXSA-N 1 2 289.401 0.176 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000602752184 362785807 /nfs/dbraw/zinc/78/58/07/362785807.db2.gz UWSFMRZJFHSYSR-UHFFFAOYSA-N 1 2 295.350 0.632 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602850534 362838140 /nfs/dbraw/zinc/83/81/40/362838140.db2.gz XAEGVOPHEYYLEE-FRRDWIJNSA-N 1 2 294.399 0.688 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602850534 362838145 /nfs/dbraw/zinc/83/81/45/362838145.db2.gz XAEGVOPHEYYLEE-FRRDWIJNSA-N 1 2 294.399 0.688 20 30 CCEDLO CCCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855364 362842230 /nfs/dbraw/zinc/84/22/30/362842230.db2.gz HHIPKWJYFBKWFR-BETUJISGSA-N 1 2 266.389 0.821 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855364 362842234 /nfs/dbraw/zinc/84/22/34/362842234.db2.gz HHIPKWJYFBKWFR-BETUJISGSA-N 1 2 266.389 0.821 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857029 362843677 /nfs/dbraw/zinc/84/36/77/362843677.db2.gz OBJBJOYEHKHYGX-UPJWGTAASA-N 1 2 266.389 0.819 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857029 362843683 /nfs/dbraw/zinc/84/36/83/362843683.db2.gz OBJBJOYEHKHYGX-UPJWGTAASA-N 1 2 266.389 0.819 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858081 362843882 /nfs/dbraw/zinc/84/38/82/362843882.db2.gz YSAMQJSTCJSKSI-RYUDHWBXSA-N 1 2 295.387 0.140 20 30 CCEDLO C[C@H]1C[NH+](Cc2cc(=O)c(O)co2)C[C@H](C)N1CC#N ZINC000602858466 362843968 /nfs/dbraw/zinc/84/39/68/362843968.db2.gz SJYPQJNIBKZSHV-QWRGUYRKSA-N 1 2 277.324 0.764 20 30 CCEDLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)CC#N)C(=O)OC ZINC000602861213 362845343 /nfs/dbraw/zinc/84/53/43/362845343.db2.gz FQYFSTISKDICKL-HOSYDEDBSA-N 1 2 269.345 0.582 20 30 CCEDLO N#Cc1nccnc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000343632395 137146433 /nfs/dbraw/zinc/14/64/33/137146433.db2.gz RZLUPXNLUHOVGE-UHFFFAOYSA-N 1 2 299.338 0.042 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000128635609 187381870 /nfs/dbraw/zinc/38/18/70/187381870.db2.gz OZTQYUPDORLYPH-SECBINFHSA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000128635609 187381872 /nfs/dbraw/zinc/38/18/72/187381872.db2.gz OZTQYUPDORLYPH-SECBINFHSA-N 1 2 285.394 0.743 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120292100 349979311 /nfs/dbraw/zinc/97/93/11/349979311.db2.gz ZOTUNUAQFPMPSX-UHFFFAOYSA-N 1 2 297.355 0.775 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011288152 348016644 /nfs/dbraw/zinc/01/66/44/348016644.db2.gz ZLXBNCWTAKYPLF-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011288152 348016646 /nfs/dbraw/zinc/01/66/46/348016646.db2.gz ZLXBNCWTAKYPLF-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011469924 348017395 /nfs/dbraw/zinc/01/73/95/348017395.db2.gz XMAZMUMPCCZDPL-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011469924 348017398 /nfs/dbraw/zinc/01/73/98/348017398.db2.gz XMAZMUMPCCZDPL-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446172 348112385 /nfs/dbraw/zinc/11/23/85/348112385.db2.gz IQKLIPCYLLPXLO-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)nc1 ZINC000344980122 137225614 /nfs/dbraw/zinc/22/56/14/137225614.db2.gz UUVZOIHLBQLQAK-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)nc1 ZINC000344980122 137225615 /nfs/dbraw/zinc/22/56/15/137225615.db2.gz UUVZOIHLBQLQAK-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO Cc1nnc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)n1C ZINC000602939536 362899723 /nfs/dbraw/zinc/89/97/23/362899723.db2.gz BFWGHDFCBXGRQA-UHFFFAOYSA-N 1 2 297.366 0.712 20 30 CCEDLO CCOCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977575 362918835 /nfs/dbraw/zinc/91/88/35/362918835.db2.gz DCNGJDQMYYZFBZ-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977575 362918839 /nfs/dbraw/zinc/91/88/39/362918839.db2.gz DCNGJDQMYYZFBZ-NWDGAFQWSA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000048336763 348405777 /nfs/dbraw/zinc/40/57/77/348405777.db2.gz CTFBFUHKAUMUNM-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000273364350 192127273 /nfs/dbraw/zinc/12/72/73/192127273.db2.gz AZLDNSGKAFOGQC-CQSZACIVSA-N 1 2 273.336 0.756 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000273364350 192127275 /nfs/dbraw/zinc/12/72/75/192127275.db2.gz AZLDNSGKAFOGQC-CQSZACIVSA-N 1 2 273.336 0.756 20 30 CCEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)NCC2CC2)C(N)=O)cc1 ZINC000349912039 137407625 /nfs/dbraw/zinc/40/76/25/137407625.db2.gz DTSLMMARPRYXFY-CQSZACIVSA-N 1 2 286.335 0.200 20 30 CCEDLO CC(C)NC(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000049972739 348462389 /nfs/dbraw/zinc/46/23/89/348462389.db2.gz MYULDERNZDHLKJ-UHFFFAOYSA-N 1 2 252.362 0.432 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(CCCC#N)CC1 ZINC000049972739 348462392 /nfs/dbraw/zinc/46/23/92/348462392.db2.gz MYULDERNZDHLKJ-UHFFFAOYSA-N 1 2 252.362 0.432 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000052278967 348507743 /nfs/dbraw/zinc/50/77/43/348507743.db2.gz OUNOUAWZSGFZFS-ZDUSSCGKSA-N 1 2 295.383 0.960 20 30 CCEDLO N#Cc1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000070158982 348874367 /nfs/dbraw/zinc/87/43/67/348874367.db2.gz PEPAMYYCRQNMEX-UHFFFAOYSA-N 1 2 273.336 0.549 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072878573 348936637 /nfs/dbraw/zinc/93/66/37/348936637.db2.gz ANFMIYCEDOBMJY-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072878573 348936638 /nfs/dbraw/zinc/93/66/38/348936638.db2.gz ANFMIYCEDOBMJY-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000071080862 348903880 /nfs/dbraw/zinc/90/38/80/348903880.db2.gz SVTLQLAWFCJNIN-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000071080862 348903884 /nfs/dbraw/zinc/90/38/84/348903884.db2.gz SVTLQLAWFCJNIN-UHFFFAOYSA-N 1 2 297.399 0.202 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967273 349061095 /nfs/dbraw/zinc/06/10/95/349061095.db2.gz IJAWNIVDBRAOEQ-UHFFFAOYSA-N 1 2 293.396 0.108 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967273 349061098 /nfs/dbraw/zinc/06/10/98/349061098.db2.gz IJAWNIVDBRAOEQ-UHFFFAOYSA-N 1 2 293.396 0.108 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000081050250 349243909 /nfs/dbraw/zinc/24/39/09/349243909.db2.gz CHIWVEUSVUMAET-LBPRGKRZSA-N 1 2 251.330 0.612 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000081050250 349243914 /nfs/dbraw/zinc/24/39/14/349243914.db2.gz CHIWVEUSVUMAET-LBPRGKRZSA-N 1 2 251.330 0.612 20 30 CCEDLO CS(=O)(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259501 349359727 /nfs/dbraw/zinc/35/97/27/349359727.db2.gz HXPSRPLNQHHCON-UHFFFAOYSA-N 1 2 257.359 0.257 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271213894 191006062 /nfs/dbraw/zinc/00/60/62/191006062.db2.gz SVKKCMGWVSBAIW-UHFFFAOYSA-N 1 2 272.352 0.932 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000133888736 350347664 /nfs/dbraw/zinc/34/76/64/350347664.db2.gz METSKIIWTUQFBB-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000133888736 350347669 /nfs/dbraw/zinc/34/76/69/350347669.db2.gz METSKIIWTUQFBB-JTQLQIEISA-N 1 2 277.284 0.604 20 30 CCEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000151763202 350510021 /nfs/dbraw/zinc/51/00/21/350510021.db2.gz PUQXFRJLWPPXQB-OAHLLOKOSA-N 1 2 296.411 0.906 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000160616136 350703897 /nfs/dbraw/zinc/70/38/97/350703897.db2.gz FHJJGMPVJRJTSX-UHFFFAOYSA-N 1 2 293.754 0.962 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419124 350907584 /nfs/dbraw/zinc/90/75/84/350907584.db2.gz YIQOQKYLJFZUGW-ZDUSSCGKSA-N 1 2 270.373 0.758 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](CC)C(N)=O)c1 ZINC000171078722 350883614 /nfs/dbraw/zinc/88/36/14/350883614.db2.gz ODRWAXCPBIBKIK-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](CC)C(N)=O)c1 ZINC000171078722 350883616 /nfs/dbraw/zinc/88/36/16/350883616.db2.gz ODRWAXCPBIBKIK-ZDUSSCGKSA-N 1 2 273.336 0.802 20 30 CCEDLO C=CC[N@@H+](CCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000173359664 351036446 /nfs/dbraw/zinc/03/64/46/351036446.db2.gz CWZRUTALNYRVHD-NSHDSACASA-N 1 2 275.370 0.615 20 30 CCEDLO C=CC[N@H+](CCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000173359664 351036450 /nfs/dbraw/zinc/03/64/50/351036450.db2.gz CWZRUTALNYRVHD-NSHDSACASA-N 1 2 275.370 0.615 20 30 CCEDLO N#CCN(C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603279409 363043041 /nfs/dbraw/zinc/04/30/41/363043041.db2.gz NJUFSNWLKJAWTJ-UHFFFAOYSA-N 1 2 254.315 0.201 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189405911 351676818 /nfs/dbraw/zinc/67/68/18/351676818.db2.gz LXCMYJWJTVYNJX-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189405911 351676819 /nfs/dbraw/zinc/67/68/19/351676819.db2.gz LXCMYJWJTVYNJX-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)ccc1C#N ZINC000291756251 198082050 /nfs/dbraw/zinc/08/20/50/198082050.db2.gz ARWCKOZCWYEHSL-ZDUSSCGKSA-N 1 2 257.341 0.673 20 30 CCEDLO Cc1nc(NC[C@H]2CN3CC[NH+]2CC3)ccc1C#N ZINC000291756251 198082052 /nfs/dbraw/zinc/08/20/52/198082052.db2.gz ARWCKOZCWYEHSL-ZDUSSCGKSA-N 1 2 257.341 0.673 20 30 CCEDLO Cc1nc(C[NH2+]C[C@H](O)COc2ccccc2C#N)no1 ZINC000231806287 352134443 /nfs/dbraw/zinc/13/44/43/352134443.db2.gz QRNVVEGOOAVJIT-LBPRGKRZSA-N 1 2 288.307 0.779 20 30 CCEDLO CC(C)NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000603839044 363162102 /nfs/dbraw/zinc/16/21/02/363162102.db2.gz JASJWQMMXPMSKJ-UHFFFAOYSA-N 1 2 268.361 0.652 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249893097 352502953 /nfs/dbraw/zinc/50/29/53/352502953.db2.gz QWGHEMYDFGQYOI-GHMZBOCLSA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249893097 352502955 /nfs/dbraw/zinc/50/29/55/352502955.db2.gz QWGHEMYDFGQYOI-GHMZBOCLSA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000249893105 352502967 /nfs/dbraw/zinc/50/29/67/352502967.db2.gz QWGHEMYDFGQYOI-WDEREUQCSA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000249893105 352502969 /nfs/dbraw/zinc/50/29/69/352502969.db2.gz QWGHEMYDFGQYOI-WDEREUQCSA-N 1 2 266.345 0.868 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000267018050 352739038 /nfs/dbraw/zinc/73/90/38/352739038.db2.gz BXRDZNRILITIOQ-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000267018050 352739041 /nfs/dbraw/zinc/73/90/41/352739041.db2.gz BXRDZNRILITIOQ-CYBMUJFWSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269910326 352885906 /nfs/dbraw/zinc/88/59/06/352885906.db2.gz KGPMXBOPLCYOMX-GFCCVEGCSA-N 1 2 258.325 0.983 20 30 CCEDLO C=CCCOCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000604538534 363202386 /nfs/dbraw/zinc/20/23/86/363202386.db2.gz XERSFQXOKVCKIH-UHFFFAOYSA-N 1 2 295.383 0.654 20 30 CCEDLO CN(C)c1ccc(CNS(=O)(=O)CC2(C#N)CC2)c[nH+]1 ZINC000274142027 353114898 /nfs/dbraw/zinc/11/48/98/353114898.db2.gz ARPWMHOZISYAAI-UHFFFAOYSA-N 1 2 294.380 0.871 20 30 CCEDLO C=CCS(=O)(=O)CCNc1[nH+]cnc2c1cnn2C ZINC000272775214 353093546 /nfs/dbraw/zinc/09/35/46/353093546.db2.gz AHYBEPBTNCUPKD-UHFFFAOYSA-N 1 2 281.341 0.376 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000274409749 353126995 /nfs/dbraw/zinc/12/69/95/353126995.db2.gz RRIPCDRRMZYABZ-NSHDSACASA-N 1 2 277.324 0.660 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000274409749 353126997 /nfs/dbraw/zinc/12/69/97/353126997.db2.gz RRIPCDRRMZYABZ-NSHDSACASA-N 1 2 277.324 0.660 20 30 CCEDLO C[C@H](CO)CNc1[nH+]cnc2c1cnn2CCC#N ZINC000604558775 363204659 /nfs/dbraw/zinc/20/46/59/363204659.db2.gz QBSXRXYJOVGHLS-VIFPVBQESA-N 1 2 260.301 0.780 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)nc1 ZINC000292311427 198240539 /nfs/dbraw/zinc/24/05/39/198240539.db2.gz NKVYCJUOLCZECB-LBPRGKRZSA-N 1 2 262.313 0.058 20 30 CCEDLO N#Cc1nccnc1NCC1([NH+]2CCOCC2)CC1 ZINC000277393675 353240988 /nfs/dbraw/zinc/24/09/88/353240988.db2.gz JJVDTQFMKLXHTJ-UHFFFAOYSA-N 1 2 259.313 0.625 20 30 CCEDLO COc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC000282136031 353396884 /nfs/dbraw/zinc/39/68/84/353396884.db2.gz BRFWHMPLJQHNBX-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO COc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)ccc1C#N ZINC000282136031 353396886 /nfs/dbraw/zinc/39/68/86/353396886.db2.gz BRFWHMPLJQHNBX-CYBMUJFWSA-N 1 2 275.308 0.253 20 30 CCEDLO CC(C)(CNC(=O)c1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000283057718 353477204 /nfs/dbraw/zinc/47/72/04/353477204.db2.gz TWRVBOHDNFYYNB-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCCc1c[nH+]cn1C ZINC000556719844 291001552 /nfs/dbraw/zinc/00/15/52/291001552.db2.gz XENYXXSVCSHJRP-UHFFFAOYSA-N 1 2 269.308 0.968 20 30 CCEDLO CCn1cc(C#N)c(=O)n(Cc2c[nH+]ccc2OC)c1=O ZINC000286575513 353596319 /nfs/dbraw/zinc/59/63/19/353596319.db2.gz MOWIJHGYYIQDFS-UHFFFAOYSA-N 1 2 286.291 0.353 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+]([C@H]3CCOC3)CC2)c1C#N ZINC000556760149 291004512 /nfs/dbraw/zinc/00/45/12/291004512.db2.gz AYVMGRCAZRXQMK-LBPRGKRZSA-N 1 2 275.356 0.511 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)ccn1 ZINC000287951912 353677818 /nfs/dbraw/zinc/67/78/18/353677818.db2.gz GPXUODWFKMXKBI-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290269165 353718604 /nfs/dbraw/zinc/71/86/04/353718604.db2.gz PEILUYSFUXAXKC-UHFFFAOYSA-N 1 2 290.298 0.410 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298871058 353975344 /nfs/dbraw/zinc/97/53/44/353975344.db2.gz KDAGSGVLIYWVGA-ZJUUUORDSA-N 1 2 252.318 0.618 20 30 CCEDLO C=CC[C@@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298871058 353975345 /nfs/dbraw/zinc/97/53/45/353975345.db2.gz KDAGSGVLIYWVGA-ZJUUUORDSA-N 1 2 252.318 0.618 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000299230186 354000645 /nfs/dbraw/zinc/00/06/45/354000645.db2.gz JGHKVCPVFRKDTQ-CQSZACIVSA-N 1 2 270.336 0.484 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000299581734 354029250 /nfs/dbraw/zinc/02/92/50/354029250.db2.gz RHGVZHQTXHQHRU-UHFFFAOYSA-N 1 2 269.345 0.453 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000299581734 354029252 /nfs/dbraw/zinc/02/92/52/354029252.db2.gz RHGVZHQTXHQHRU-UHFFFAOYSA-N 1 2 269.345 0.453 20 30 CCEDLO Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)nc1C#N ZINC000302727806 354085628 /nfs/dbraw/zinc/08/56/28/354085628.db2.gz SXYXNHXGMBQDBA-LBPRGKRZSA-N 1 2 276.340 0.367 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCNC1=O ZINC000340222539 355529177 /nfs/dbraw/zinc/52/91/77/355529177.db2.gz PQMFJWOAZSBERP-LBPRGKRZSA-N 1 2 272.308 0.317 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCNC1=O ZINC000340222539 355529178 /nfs/dbraw/zinc/52/91/78/355529178.db2.gz PQMFJWOAZSBERP-LBPRGKRZSA-N 1 2 272.308 0.317 20 30 CCEDLO N#Cc1ccnc(NCCC[N@@H+]2CCNC(=O)C2)c1Cl ZINC000342782366 355745793 /nfs/dbraw/zinc/74/57/93/355745793.db2.gz QHPGEAYGYWFACU-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO N#Cc1ccnc(NCCC[N@H+]2CCNC(=O)C2)c1Cl ZINC000342782366 355745796 /nfs/dbraw/zinc/74/57/96/355745796.db2.gz QHPGEAYGYWFACU-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO CCOCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000344193686 355789320 /nfs/dbraw/zinc/78/93/20/355789320.db2.gz OPVIGJYKDSVJIQ-UHFFFAOYSA-N 1 2 269.389 0.961 20 30 CCEDLO CCOCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000344193686 355789323 /nfs/dbraw/zinc/78/93/23/355789323.db2.gz OPVIGJYKDSVJIQ-UHFFFAOYSA-N 1 2 269.389 0.961 20 30 CCEDLO CCOCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000344193686 355789325 /nfs/dbraw/zinc/78/93/25/355789325.db2.gz OPVIGJYKDSVJIQ-UHFFFAOYSA-N 1 2 269.389 0.961 20 30 CCEDLO N#Cc1csc(C[NH2+]CC(=O)NCC2CC2)n1 ZINC000352835286 356092672 /nfs/dbraw/zinc/09/26/72/356092672.db2.gz KZLBAQLRKZFFIC-UHFFFAOYSA-N 1 2 250.327 0.631 20 30 CCEDLO C[N@H+](CCC(N)=O)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353203089 356177260 /nfs/dbraw/zinc/17/72/60/356177260.db2.gz MGICQVFEQIXMFJ-UHFFFAOYSA-N 1 2 295.364 0.139 20 30 CCEDLO C[N@@H+](CCC(N)=O)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353203089 356177264 /nfs/dbraw/zinc/17/72/64/356177264.db2.gz MGICQVFEQIXMFJ-UHFFFAOYSA-N 1 2 295.364 0.139 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(C)c1C#N ZINC000354589395 356447061 /nfs/dbraw/zinc/44/70/61/356447061.db2.gz YFMPBXGTHJOBDI-SECBINFHSA-N 1 2 258.285 0.307 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000355256927 356620084 /nfs/dbraw/zinc/62/00/84/356620084.db2.gz SJCWOFMQEHIJBH-UHFFFAOYSA-N 1 2 297.318 0.338 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000610342825 363552250 /nfs/dbraw/zinc/55/22/50/363552250.db2.gz OPURPBAYMZCMEG-QWRGUYRKSA-N 1 2 261.329 0.807 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000336334120 213179893 /nfs/dbraw/zinc/17/98/93/213179893.db2.gz VELVZLXNFMIGIF-QMMMGPOBSA-N 1 2 255.281 0.897 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000336334120 213179895 /nfs/dbraw/zinc/17/98/95/213179895.db2.gz VELVZLXNFMIGIF-QMMMGPOBSA-N 1 2 255.281 0.897 20 30 CCEDLO C=C(Br)C[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000363209347 357058380 /nfs/dbraw/zinc/05/83/80/357058380.db2.gz NOTDFEOELYGEPJ-UHFFFAOYSA-N 1 2 290.205 0.649 20 30 CCEDLO C=C(Br)C[N@@H+]1CCCN(CC(=O)NC)CC1 ZINC000363209347 357058384 /nfs/dbraw/zinc/05/83/84/357058384.db2.gz NOTDFEOELYGEPJ-UHFFFAOYSA-N 1 2 290.205 0.649 20 30 CCEDLO Cc1cc(C)c(C#N)c(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000365272666 357139391 /nfs/dbraw/zinc/13/93/91/357139391.db2.gz XQHRLXKZHCYHIF-UHFFFAOYSA-N 1 2 287.367 0.568 20 30 CCEDLO Cc1cc(C)c(C#N)c(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000365272666 357139397 /nfs/dbraw/zinc/13/93/97/357139397.db2.gz XQHRLXKZHCYHIF-UHFFFAOYSA-N 1 2 287.367 0.568 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000368409701 357332035 /nfs/dbraw/zinc/33/20/35/357332035.db2.gz GWUABWSLUHSUAQ-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000368409701 357332037 /nfs/dbraw/zinc/33/20/37/357332037.db2.gz GWUABWSLUHSUAQ-AWEZNQCLSA-N 1 2 294.399 0.155 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382633937 357714423 /nfs/dbraw/zinc/71/44/23/357714423.db2.gz MGUDATOEOLVRTC-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329274549 202261761 /nfs/dbraw/zinc/26/17/61/202261761.db2.gz BEEOAPZYCMCTGS-SNVBAGLBSA-N 1 2 296.334 0.978 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cnc12 ZINC000567888394 358605842 /nfs/dbraw/zinc/60/58/42/358605842.db2.gz DDCIIEYXNKQIMD-HNNXBMFYSA-N 1 2 299.334 0.592 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@]4(CCOC4)C3)cnc12 ZINC000567888394 358605847 /nfs/dbraw/zinc/60/58/47/358605847.db2.gz DDCIIEYXNKQIMD-HNNXBMFYSA-N 1 2 299.334 0.592 20 30 CCEDLO C[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CC[N@@H+]1CCO ZINC000572108009 358927373 /nfs/dbraw/zinc/92/73/73/358927373.db2.gz VJWGWSJTWYYMSY-BBRMVZONSA-N 1 2 291.395 0.985 20 30 CCEDLO C[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CC[N@H+]1CCO ZINC000572108009 358927378 /nfs/dbraw/zinc/92/73/78/358927378.db2.gz VJWGWSJTWYYMSY-BBRMVZONSA-N 1 2 291.395 0.985 20 30 CCEDLO Cn1nnc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc21 ZINC000573868699 359008128 /nfs/dbraw/zinc/00/81/28/359008128.db2.gz WXNYXIJPQYSGFP-AWEZNQCLSA-N 1 2 286.339 0.542 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000574014007 359019770 /nfs/dbraw/zinc/01/97/70/359019770.db2.gz QSFIICQDCVHAFA-UTUOFQBUSA-N 1 2 264.329 0.914 20 30 CCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000610843418 363621054 /nfs/dbraw/zinc/62/10/54/363621054.db2.gz NWPFLDFXBHNAOS-CHWSQXEVSA-N 1 2 264.373 0.431 20 30 CCEDLO CC(C)CN1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579844969 359054183 /nfs/dbraw/zinc/05/41/83/359054183.db2.gz SJESFDWCEVOBOD-IUODEOHRSA-N 1 2 294.399 0.451 20 30 CCEDLO Cc1sc(=O)n(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000581642777 359126513 /nfs/dbraw/zinc/12/65/13/359126513.db2.gz GNYWFYUVTHDSEH-ZDUSSCGKSA-N 1 2 296.396 0.487 20 30 CCEDLO N#Cc1ncn(CC(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000610882148 363626334 /nfs/dbraw/zinc/62/63/34/363626334.db2.gz VGZKTOZAYWLQAF-UHFFFAOYSA-N 1 2 296.334 0.282 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000586769111 359287680 /nfs/dbraw/zinc/28/76/80/359287680.db2.gz HRELJBXNRHCWNO-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000586769111 359287686 /nfs/dbraw/zinc/28/76/86/359287686.db2.gz HRELJBXNRHCWNO-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000587005707 359297961 /nfs/dbraw/zinc/29/79/61/359297961.db2.gz SBLFFYGTNCQNDI-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994999 363645456 /nfs/dbraw/zinc/64/54/56/363645456.db2.gz RRDWBYIPQADIOP-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994999 363645460 /nfs/dbraw/zinc/64/54/60/363645460.db2.gz RRDWBYIPQADIOP-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO Cc1cc(C#N)cc(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000585703157 359264653 /nfs/dbraw/zinc/26/46/53/359264653.db2.gz FDKGGNROEQZOJF-GFCCVEGCSA-N 1 2 260.341 0.816 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585801436 359279039 /nfs/dbraw/zinc/27/90/39/359279039.db2.gz SEDNFEJGRMWHBN-SNVBAGLBSA-N 1 2 275.312 0.376 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585801436 359279041 /nfs/dbraw/zinc/27/90/41/359279041.db2.gz SEDNFEJGRMWHBN-SNVBAGLBSA-N 1 2 275.312 0.376 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000589179703 359364650 /nfs/dbraw/zinc/36/46/50/359364650.db2.gz FRTOVXFNIXZUEA-UHFFFAOYSA-N 1 2 256.265 0.959 20 30 CCEDLO Cn1cccc1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000590154172 359427090 /nfs/dbraw/zinc/42/70/90/359427090.db2.gz MUCPDVBTCWAQGZ-UHFFFAOYSA-N 1 2 290.367 0.713 20 30 CCEDLO C[C@H](CNC(=O)CC1(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000590247330 359432751 /nfs/dbraw/zinc/43/27/51/359432751.db2.gz RPCOBGGIDNUQJD-GFCCVEGCSA-N 1 2 264.373 0.432 20 30 CCEDLO Cc1ccc(C#N)nc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000590578229 359488505 /nfs/dbraw/zinc/48/85/05/359488505.db2.gz NDXSHYFRYMJMER-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO Cc1ccc(C#N)nc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000590578229 359488512 /nfs/dbraw/zinc/48/85/12/359488512.db2.gz NDXSHYFRYMJMER-ZDUSSCGKSA-N 1 2 259.357 0.919 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000590952651 359540848 /nfs/dbraw/zinc/54/08/48/359540848.db2.gz QOUOTHBVUWHPEI-PHIMTYICSA-N 1 2 277.280 0.394 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000590952651 359540851 /nfs/dbraw/zinc/54/08/51/359540851.db2.gz QOUOTHBVUWHPEI-PHIMTYICSA-N 1 2 277.280 0.394 20 30 CCEDLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]CCC#N ZINC000591741040 359651473 /nfs/dbraw/zinc/65/14/73/359651473.db2.gz YKNJIFZBFRRJQW-UHFFFAOYSA-N 1 2 297.380 0.303 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000297442794 200192011 /nfs/dbraw/zinc/19/20/11/200192011.db2.gz GJJMDLFVJJXVMQ-UHFFFAOYSA-N 1 2 277.368 0.494 20 30 CCEDLO COc1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)n1 ZINC000592154941 359772219 /nfs/dbraw/zinc/77/22/19/359772219.db2.gz WSPWEWGQDIOGKO-CYBMUJFWSA-N 1 2 262.313 0.644 20 30 CCEDLO COc1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)c(C)n1 ZINC000592154941 359772224 /nfs/dbraw/zinc/77/22/24/359772224.db2.gz WSPWEWGQDIOGKO-CYBMUJFWSA-N 1 2 262.313 0.644 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592149526 359769438 /nfs/dbraw/zinc/76/94/38/359769438.db2.gz QMJWKFQXFPAMJB-HNNXBMFYSA-N 1 2 284.319 0.847 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592149526 359769444 /nfs/dbraw/zinc/76/94/44/359769444.db2.gz QMJWKFQXFPAMJB-HNNXBMFYSA-N 1 2 284.319 0.847 20 30 CCEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176318 363672333 /nfs/dbraw/zinc/67/23/33/363672333.db2.gz ZKZYWDQSDXWNGG-CHWSQXEVSA-N 1 2 266.389 0.821 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ncccn2n1 ZINC000593153293 360048389 /nfs/dbraw/zinc/04/83/89/360048389.db2.gz TUJYVMNLAHSEAB-CYBMUJFWSA-N 1 2 272.312 0.303 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1ccccc1=O ZINC000593155508 360048712 /nfs/dbraw/zinc/04/87/12/360048712.db2.gz YCEVBTZFPABQFQ-CQSZACIVSA-N 1 2 276.340 0.198 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000593088885 360033070 /nfs/dbraw/zinc/03/30/70/360033070.db2.gz MXQYEGHCYIVQJZ-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593088885 360033073 /nfs/dbraw/zinc/03/30/73/360033073.db2.gz MXQYEGHCYIVQJZ-LLVKDONJSA-N 1 2 281.356 0.642 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000593389270 360075855 /nfs/dbraw/zinc/07/58/55/360075855.db2.gz PPGAFFAHLFLBCB-OLZOCXBDSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593521543 360106151 /nfs/dbraw/zinc/10/61/51/360106151.db2.gz ABMKEQVGOJAUFL-UHFFFAOYSA-N 1 2 285.394 0.946 20 30 CCEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(C(=O)CC#N)CC2)C1=O ZINC000594003432 360231336 /nfs/dbraw/zinc/23/13/36/360231336.db2.gz BIJGXTCHQUHTKM-GFCCVEGCSA-N 1 2 292.383 0.444 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594373338 360286050 /nfs/dbraw/zinc/28/60/50/360286050.db2.gz QWQRDNJTXZANEG-UHFFFAOYSA-N 1 2 297.399 0.878 20 30 CCEDLO C[N@H+](CCO)Cc1cn(CC2(C#N)CCCC2)nn1 ZINC000594658561 360356031 /nfs/dbraw/zinc/35/60/31/360356031.db2.gz VFMXYIWJVFKVCY-UHFFFAOYSA-N 1 2 263.345 0.786 20 30 CCEDLO C[N@@H+](CCO)Cc1cn(CC2(C#N)CCCC2)nn1 ZINC000594658561 360356036 /nfs/dbraw/zinc/35/60/36/360356036.db2.gz VFMXYIWJVFKVCY-UHFFFAOYSA-N 1 2 263.345 0.786 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)o1 ZINC000595112065 360438166 /nfs/dbraw/zinc/43/81/66/360438166.db2.gz RDFJWHXIQWLDOJ-QMMMGPOBSA-N 1 2 291.279 0.379 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000611516821 363730533 /nfs/dbraw/zinc/73/05/33/363730533.db2.gz LMKBGJRBANMSTI-KGLIPLIRSA-N 1 2 278.400 0.773 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594967435 360428218 /nfs/dbraw/zinc/42/82/18/360428218.db2.gz ZIQABXWNBWZJKY-GHMZBOCLSA-N 1 2 270.310 0.053 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000595302999 360488622 /nfs/dbraw/zinc/48/86/22/360488622.db2.gz ZIDZMVFEZUMUAU-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000595302999 360488623 /nfs/dbraw/zinc/48/86/23/360488623.db2.gz ZIDZMVFEZUMUAU-VXGBXAGGSA-N 1 2 281.356 0.632 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1[nH+]ccn1C ZINC000595383909 360515508 /nfs/dbraw/zinc/51/55/08/360515508.db2.gz QHSJPYUSVSSRAP-SECBINFHSA-N 1 2 291.336 0.726 20 30 CCEDLO C[C@@H]1CN(CC[NH+]2CCN(CCC#N)CC2)C[C@@H](C)O1 ZINC000595391667 360516445 /nfs/dbraw/zinc/51/64/45/360516445.db2.gz MIVSTLFQBCVXSZ-HUUCEWRRSA-N 1 2 280.416 0.627 20 30 CCEDLO CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000595397847 360518906 /nfs/dbraw/zinc/51/89/06/360518906.db2.gz LZTXMCWVYMVVPB-ZIAGYGMSSA-N 1 2 278.400 0.773 20 30 CCEDLO COC(=O)[C@@](C)(CO)[NH2+]CCc1ccc(C#N)cc1 ZINC000595534219 360569627 /nfs/dbraw/zinc/56/96/27/360569627.db2.gz RATFKKUZFBPMEE-CQSZACIVSA-N 1 2 262.309 0.614 20 30 CCEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552254 360577160 /nfs/dbraw/zinc/57/71/60/360577160.db2.gz RKQOFMJMFPDCTN-DZGCQCFKSA-N 1 2 293.415 0.567 20 30 CCEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)C(=O)N(C)C ZINC000595611152 360597706 /nfs/dbraw/zinc/59/77/06/360597706.db2.gz HLQLKMCXBCEWJY-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)C(=O)N(C)C ZINC000595611152 360597710 /nfs/dbraw/zinc/59/77/10/360597710.db2.gz HLQLKMCXBCEWJY-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716218 360629600 /nfs/dbraw/zinc/62/96/00/360629600.db2.gz XMRFADGYBDJONG-GMTAPVOTSA-N 1 2 281.356 0.544 20 30 CCEDLO C[C@H](CCC#N)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595751157 360639095 /nfs/dbraw/zinc/63/90/95/360639095.db2.gz CRXSQWOHGMYHCB-GHMZBOCLSA-N 1 2 259.375 0.644 20 30 CCEDLO C[C@H](CCC#N)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595751157 360639101 /nfs/dbraw/zinc/63/91/01/360639101.db2.gz CRXSQWOHGMYHCB-GHMZBOCLSA-N 1 2 259.375 0.644 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CC3CC2(C(=O)OCC)C3)C1=O ZINC000595870593 360685997 /nfs/dbraw/zinc/68/59/97/360685997.db2.gz LAZSVWDPIJELEI-AVERBVTBSA-N 1 2 278.352 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CC3CC2(C(=O)OCC)C3)C1=O ZINC000595870593 360685999 /nfs/dbraw/zinc/68/59/99/360685999.db2.gz LAZSVWDPIJELEI-AVERBVTBSA-N 1 2 278.352 0.801 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833679 360673552 /nfs/dbraw/zinc/67/35/52/360673552.db2.gz ILOJDNCLFILBNH-SKDRFNHKSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833679 360673555 /nfs/dbraw/zinc/67/35/55/360673555.db2.gz ILOJDNCLFILBNH-SKDRFNHKSA-N 1 2 252.318 0.456 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834355 360673747 /nfs/dbraw/zinc/67/37/47/360673747.db2.gz KUPHKWQFCISASF-NOZJJQNGSA-N 1 2 264.329 0.599 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834355 360673749 /nfs/dbraw/zinc/67/37/49/360673749.db2.gz KUPHKWQFCISASF-NOZJJQNGSA-N 1 2 264.329 0.599 20 30 CCEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838404 360674999 /nfs/dbraw/zinc/67/49/99/360674999.db2.gz BOCBLGNBKIMHAA-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838404 360675004 /nfs/dbraw/zinc/67/50/04/360675004.db2.gz BOCBLGNBKIMHAA-LLVKDONJSA-N 1 2 259.375 0.503 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cnn2C)CC1 ZINC000596114897 360798008 /nfs/dbraw/zinc/79/80/08/360798008.db2.gz JBSCDCGHQJKGMQ-UHFFFAOYSA-N 1 2 285.355 0.347 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)cnn2)[C@@H](C)CO1 ZINC000596434955 360895049 /nfs/dbraw/zinc/89/50/49/360895049.db2.gz ZOLOSXHVOPPZLA-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)cnn2)[C@@H](C)CO1 ZINC000596434955 360895053 /nfs/dbraw/zinc/89/50/53/360895053.db2.gz ZOLOSXHVOPPZLA-WDEREUQCSA-N 1 2 261.329 0.291 20 30 CCEDLO C=CCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000596717417 360945515 /nfs/dbraw/zinc/94/55/15/360945515.db2.gz JDOWDXFJIYZNSX-AWEZNQCLSA-N 1 2 280.416 0.984 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000597741689 361223713 /nfs/dbraw/zinc/22/37/13/361223713.db2.gz PLCCVSOZQZLHEH-UONOGXRCSA-N 1 2 291.326 0.791 20 30 CCEDLO N#C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000597741689 361223715 /nfs/dbraw/zinc/22/37/15/361223715.db2.gz PLCCVSOZQZLHEH-UONOGXRCSA-N 1 2 291.326 0.791 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844803 361265513 /nfs/dbraw/zinc/26/55/13/361265513.db2.gz CHZBXJRWOOGHAE-UWVGGRQHSA-N 1 2 264.329 0.756 20 30 CCEDLO COC(=O)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)o1 ZINC000598837854 361523213 /nfs/dbraw/zinc/52/32/13/361523213.db2.gz YWKXXLPDPGNZKL-AWEZNQCLSA-N 1 2 293.323 0.948 20 30 CCEDLO Cc1cnc2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn2c1 ZINC000598836933 361523401 /nfs/dbraw/zinc/52/34/01/361523401.db2.gz SEZMNFSSXLPWNE-ZDUSSCGKSA-N 1 2 287.327 0.006 20 30 CCEDLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ncc1C#N ZINC000598940963 361535101 /nfs/dbraw/zinc/53/51/01/361535101.db2.gz ZJAVFTNOEAYTGC-LLVKDONJSA-N 1 2 267.292 0.813 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599430213 361697216 /nfs/dbraw/zinc/69/72/16/361697216.db2.gz PMOWSASVDXFXJT-LLVKDONJSA-N 1 2 275.356 0.776 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599532089 361729003 /nfs/dbraw/zinc/72/90/03/361729003.db2.gz YUOHJBDIECUOSB-RYUDHWBXSA-N 1 2 263.253 0.004 20 30 CCEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(CC#N)CC1)CC2 ZINC000599538679 361730972 /nfs/dbraw/zinc/73/09/72/361730972.db2.gz VQWIJDLZRXNEOK-ZDUSSCGKSA-N 1 2 287.367 0.422 20 30 CCEDLO Cc1ccnc(N2CC[NH+](CC(=O)N(C)C)CC2)c1C#N ZINC000612066676 363841004 /nfs/dbraw/zinc/84/10/04/363841004.db2.gz KEEPRZRRGCODRG-UHFFFAOYSA-N 1 2 287.367 0.472 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613252453 364180806 /nfs/dbraw/zinc/18/08/06/364180806.db2.gz GKJJZVBMKYEEJU-WDEREUQCSA-N 1 2 263.341 0.815 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613252453 364180812 /nfs/dbraw/zinc/18/08/12/364180812.db2.gz GKJJZVBMKYEEJU-WDEREUQCSA-N 1 2 263.341 0.815 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1c[nH+]cn1C ZINC000613413405 364241568 /nfs/dbraw/zinc/24/15/68/364241568.db2.gz PFCOVSYWQKOYBB-CYBMUJFWSA-N 1 2 278.356 0.550 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000614296669 364564267 /nfs/dbraw/zinc/56/42/67/364564267.db2.gz LNPIBEFXMATNDJ-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C=C[C@@](C)(O)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614467778 364619555 /nfs/dbraw/zinc/61/95/55/364619555.db2.gz BURXZVWFJSAWQL-CQSZACIVSA-N 1 2 294.355 0.609 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614701509 364702460 /nfs/dbraw/zinc/70/24/60/364702460.db2.gz WGUIUAZKEXNPFB-GXTWGEPZSA-N 1 2 290.367 0.785 20 30 CCEDLO C[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)[NH+]1CCSCC1 ZINC000615664397 365043240 /nfs/dbraw/zinc/04/32/40/365043240.db2.gz KMSHYSCJHNPCKZ-CMPLNLGQSA-N 1 2 271.361 0.888 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C1CC1 ZINC000348204779 283949579 /nfs/dbraw/zinc/94/95/79/283949579.db2.gz UXZDMDMJBQTRDX-LBPRGKRZSA-N 1 2 267.329 0.290 20 30 CCEDLO N#Cc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)c(F)c1 ZINC000566419849 291402850 /nfs/dbraw/zinc/40/28/50/291402850.db2.gz ZWXCQHKPOQOTET-CYBMUJFWSA-N 1 2 263.272 0.431 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000630971946 370344140 /nfs/dbraw/zinc/34/41/40/370344140.db2.gz JQOKTHLJCXYVJJ-UPJWGTAASA-N 1 2 295.383 0.982 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2ccccc2=O)nn1 ZINC000656450508 412801767 /nfs/dbraw/zinc/80/17/67/412801767.db2.gz WYYHURDBPZNVQB-UHFFFAOYSA-N 1 2 271.324 0.253 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637193799 373992393 /nfs/dbraw/zinc/99/23/93/373992393.db2.gz CUWNBMRDYFWCGS-RTXFEEFZSA-N 1 2 276.340 0.841 20 30 CCEDLO C=CC[N@H+](Cc1ccc(=O)[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC000637962567 374510624 /nfs/dbraw/zinc/51/06/24/374510624.db2.gz NLVRABHOEODQGC-LBPRGKRZSA-N 1 2 282.365 0.962 20 30 CCEDLO C=CC[N@@H+](Cc1ccc(=O)[nH]c1)[C@H]1CCS(=O)(=O)C1 ZINC000637962567 374510629 /nfs/dbraw/zinc/51/06/29/374510629.db2.gz NLVRABHOEODQGC-LBPRGKRZSA-N 1 2 282.365 0.962 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639727320 375954248 /nfs/dbraw/zinc/95/42/48/375954248.db2.gz LZUYHZBQVIGKMU-UHFFFAOYSA-N 1 2 292.387 0.351 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CC)no2)nn1 ZINC000640928134 376619960 /nfs/dbraw/zinc/61/99/60/376619960.db2.gz BZRBMJFMLZTMKR-UHFFFAOYSA-N 1 2 260.301 0.385 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cnccn2)nn1 ZINC000641061271 376730636 /nfs/dbraw/zinc/73/06/36/376730636.db2.gz GDFXPSKWGGNEFG-NSHDSACASA-N 1 2 256.313 0.790 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)nc(C)n2)nn1 ZINC000641088482 376764412 /nfs/dbraw/zinc/76/44/12/376764412.db2.gz PUDRLFOANJKQLT-UHFFFAOYSA-N 1 2 270.340 0.846 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000685003898 545784499 /nfs/dbraw/zinc/78/44/99/545784499.db2.gz RBJKOYUFASPTBT-OLZOCXBDSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(CC)[C@H](C)C2)C1=O ZINC000685003898 545784503 /nfs/dbraw/zinc/78/45/03/545784503.db2.gz RBJKOYUFASPTBT-OLZOCXBDSA-N 1 2 251.374 0.799 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc3n(n2)CCCC3)nn1 ZINC000641150674 376815480 /nfs/dbraw/zinc/81/54/80/376815480.db2.gz QNCIJOLAHCWEPT-UHFFFAOYSA-N 1 2 284.367 0.972 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459669133 249050483 /nfs/dbraw/zinc/05/04/83/249050483.db2.gz CJRAMRIGDBYSMR-DGCLKSJQSA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459669133 249050484 /nfs/dbraw/zinc/05/04/84/249050484.db2.gz CJRAMRIGDBYSMR-DGCLKSJQSA-N 1 2 266.728 0.997 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2nc(C)ncc2C1 ZINC000642529236 377580404 /nfs/dbraw/zinc/58/04/04/377580404.db2.gz XYGBKVHCGDMITR-SNVBAGLBSA-N 1 2 260.341 0.834 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2nc(C)ncc2C1 ZINC000642529236 377580405 /nfs/dbraw/zinc/58/04/05/377580405.db2.gz XYGBKVHCGDMITR-SNVBAGLBSA-N 1 2 260.341 0.834 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSCC(C)=O)CC1 ZINC000278838223 194178375 /nfs/dbraw/zinc/17/83/75/194178375.db2.gz ZJCPMKGTYMVOPN-UHFFFAOYSA-N 1 2 268.382 0.476 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](CO)O1 ZINC000248860277 285085597 /nfs/dbraw/zinc/08/55/97/285085597.db2.gz AAZJHVIWQDGCLF-RISCZKNCSA-N 1 2 286.335 0.788 20 30 CCEDLO C=CC[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000116940500 260008774 /nfs/dbraw/zinc/00/87/74/260008774.db2.gz BWRAECCLUZRHEP-NWDGAFQWSA-N 1 2 255.362 0.971 20 30 CCEDLO Cc1nc(N2CCN(C(=O)C(C)(C)C#N)CC2)cc[nH+]1 ZINC000185417274 388803642 /nfs/dbraw/zinc/80/36/42/388803642.db2.gz SYXWKYJAAYHIKZ-UHFFFAOYSA-N 1 2 273.340 0.983 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000185523722 388807189 /nfs/dbraw/zinc/80/71/89/388807189.db2.gz BEHQMMFKBTVERM-OCCSQVGLSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000185523722 388807191 /nfs/dbraw/zinc/80/71/91/388807191.db2.gz BEHQMMFKBTVERM-OCCSQVGLSA-N 1 2 290.319 0.545 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184587953 388775767 /nfs/dbraw/zinc/77/57/67/388775767.db2.gz WJLHRQZOEXQWDO-QWRGUYRKSA-N 1 2 295.339 0.957 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000286652280 388843697 /nfs/dbraw/zinc/84/36/97/388843697.db2.gz OLDGGBRMUBODAE-UHFFFAOYSA-N 1 2 293.348 0.481 20 30 CCEDLO C#CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000029324992 388827297 /nfs/dbraw/zinc/82/72/97/388827297.db2.gz IVZDPTIDIYNKKK-UHFFFAOYSA-N 1 2 274.324 0.351 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000288771875 388865596 /nfs/dbraw/zinc/86/55/96/388865596.db2.gz DBPCJCFKOZYONL-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000288771875 388865598 /nfs/dbraw/zinc/86/55/98/388865598.db2.gz DBPCJCFKOZYONL-UHFFFAOYSA-N 1 2 276.380 0.876 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)OC)cc1 ZINC000289228447 388868482 /nfs/dbraw/zinc/86/84/82/388868482.db2.gz YJHAFXKUTQGJAX-CQSZACIVSA-N 1 2 286.331 0.531 20 30 CCEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)OC)cc1 ZINC000289228447 388868485 /nfs/dbraw/zinc/86/84/85/388868485.db2.gz YJHAFXKUTQGJAX-CQSZACIVSA-N 1 2 286.331 0.531 20 30 CCEDLO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000289529239 388871296 /nfs/dbraw/zinc/87/12/96/388871296.db2.gz FCVCQYXMZVSPQX-KBPBESRZSA-N 1 2 259.305 0.776 20 30 CCEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000289529239 388871297 /nfs/dbraw/zinc/87/12/97/388871297.db2.gz FCVCQYXMZVSPQX-KBPBESRZSA-N 1 2 259.305 0.776 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289748872 388889105 /nfs/dbraw/zinc/88/91/05/388889105.db2.gz FHANSRLTNNHRJM-PWSUYJOCSA-N 1 2 280.759 0.921 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289748872 388889107 /nfs/dbraw/zinc/88/91/07/388889107.db2.gz FHANSRLTNNHRJM-PWSUYJOCSA-N 1 2 280.759 0.921 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000057880377 388934399 /nfs/dbraw/zinc/93/43/99/388934399.db2.gz GHPWGJLWGMXYTN-UHFFFAOYSA-N 1 2 292.261 0.610 20 30 CCEDLO CC(C)CC[N@@H+](CCC#N)CCNS(C)(=O)=O ZINC000072691705 388968146 /nfs/dbraw/zinc/96/81/46/388968146.db2.gz ONYMXVRXGLOKAD-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CC(C)CC[N@H+](CCC#N)CCNS(C)(=O)=O ZINC000072691705 388968148 /nfs/dbraw/zinc/96/81/48/388968148.db2.gz ONYMXVRXGLOKAD-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1COc2ccccc2O1 ZINC000066472567 388944706 /nfs/dbraw/zinc/94/47/06/388944706.db2.gz DTURQOPDWWVAJR-NSHDSACASA-N 1 2 275.308 0.398 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1COc2ccccc2O1 ZINC000066472567 388944710 /nfs/dbraw/zinc/94/47/10/388944710.db2.gz DTURQOPDWWVAJR-NSHDSACASA-N 1 2 275.308 0.398 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000292672758 388953191 /nfs/dbraw/zinc/95/31/91/388953191.db2.gz FXHIPIJZVFKGRB-UHFFFAOYSA-N 1 2 281.400 0.997 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCOCC)CC2)C1=O ZINC000337137957 389047322 /nfs/dbraw/zinc/04/73/22/389047322.db2.gz OOEBZOVJAMMOBI-CQSZACIVSA-N 1 2 281.400 0.427 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337536750 389063342 /nfs/dbraw/zinc/06/33/42/389063342.db2.gz YKIRYTUACAMGFF-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337536750 389063345 /nfs/dbraw/zinc/06/33/45/389063345.db2.gz YKIRYTUACAMGFF-NEPJUHHUSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000337776514 389067849 /nfs/dbraw/zinc/06/78/49/389067849.db2.gz QJFODOWWQQJBRT-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000337776514 389067852 /nfs/dbraw/zinc/06/78/52/389067852.db2.gz QJFODOWWQQJBRT-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCSCC1 ZINC000103467371 389078054 /nfs/dbraw/zinc/07/80/54/389078054.db2.gz TZYKIKHTEHFIHZ-UHFFFAOYSA-N 1 2 266.370 0.691 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000337054854 389039769 /nfs/dbraw/zinc/03/97/69/389039769.db2.gz ASLFZFSKTAJUPD-GFCCVEGCSA-N 1 2 269.389 0.914 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000337054854 389039772 /nfs/dbraw/zinc/03/97/72/389039772.db2.gz ASLFZFSKTAJUPD-GFCCVEGCSA-N 1 2 269.389 0.914 20 30 CCEDLO CC#CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000355173228 389045307 /nfs/dbraw/zinc/04/53/07/389045307.db2.gz JFLSFTXSCFYJOU-UONOGXRCSA-N 1 2 279.384 0.904 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121132792 389146213 /nfs/dbraw/zinc/14/62/13/389146213.db2.gz DTVDHVPQTBVSTM-OCCSQVGLSA-N 1 2 272.352 0.743 20 30 CCEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)CCO ZINC000121344062 389147362 /nfs/dbraw/zinc/14/73/62/389147362.db2.gz CITYCLDYFXTPTN-UHFFFAOYSA-N 1 2 279.340 0.625 20 30 CCEDLO C[C@@H](NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121344905 389147463 /nfs/dbraw/zinc/14/74/63/389147463.db2.gz SDSVOVQXVRBTBX-GHMZBOCLSA-N 1 2 279.340 0.924 20 30 CCEDLO C[C@@H](NC(=O)c1cnn(C)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000355665277 389108774 /nfs/dbraw/zinc/10/87/74/389108774.db2.gz UXVKUHAWZQPIAN-MNOVXSKESA-N 1 2 291.355 0.131 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1CCc2ccccc21 ZINC000121401492 389148094 /nfs/dbraw/zinc/14/80/94/389148094.db2.gz PLRFTZIFPRUGRH-JTQLQIEISA-N 1 2 277.324 0.635 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cc(F)ccc1F ZINC000121407731 389148390 /nfs/dbraw/zinc/14/83/90/389148390.db2.gz AVEFOKZDYAFGEC-SSDOTTSWSA-N 1 2 287.266 0.963 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CC)C[C@H](C)C#N ZINC000339081764 389124800 /nfs/dbraw/zinc/12/48/00/389124800.db2.gz ARLWGQRNPQUIBX-GFCCVEGCSA-N 1 2 282.388 0.582 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CC)C[C@H](C)C#N ZINC000339081764 389124801 /nfs/dbraw/zinc/12/48/01/389124801.db2.gz ARLWGQRNPQUIBX-GFCCVEGCSA-N 1 2 282.388 0.582 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705619 389127869 /nfs/dbraw/zinc/12/78/69/389127869.db2.gz ODNMZWJIMIEXJU-HNNXBMFYSA-N 1 2 284.363 0.933 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)OCC ZINC000339372233 389131390 /nfs/dbraw/zinc/13/13/90/389131390.db2.gz XUGIOFJQJGMHEJ-KBPBESRZSA-N 1 2 283.416 0.720 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)OCC ZINC000339372233 389131393 /nfs/dbraw/zinc/13/13/93/389131393.db2.gz XUGIOFJQJGMHEJ-KBPBESRZSA-N 1 2 283.416 0.720 20 30 CCEDLO Cn1nnc2c1nccc2C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328728459 389134126 /nfs/dbraw/zinc/13/41/26/389134126.db2.gz GURJVJKCSNNICX-VIFPVBQESA-N 1 2 297.322 0.879 20 30 CCEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000121637830 389149793 /nfs/dbraw/zinc/14/97/93/389149793.db2.gz ISPNOPXUGHZZGY-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CC[N@H+](C)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000121637830 389149795 /nfs/dbraw/zinc/14/97/95/389149795.db2.gz ISPNOPXUGHZZGY-VXGBXAGGSA-N 1 2 288.413 0.528 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000328830502 389140309 /nfs/dbraw/zinc/14/03/09/389140309.db2.gz UXYCOLQTWYEQOA-CYBMUJFWSA-N 1 2 297.399 0.734 20 30 CCEDLO CC1(CNC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000329703384 389190367 /nfs/dbraw/zinc/19/03/67/389190367.db2.gz IHOOGYPHEXTTEM-SECBINFHSA-N 1 2 264.329 0.807 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H](F)C[C@H]1CO ZINC000329722369 389191907 /nfs/dbraw/zinc/19/19/07/389191907.db2.gz FGCTYOHQXRWNLI-AEJSXWLSSA-N 1 2 282.319 0.586 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H](F)C[C@H]1CO ZINC000329722369 389191908 /nfs/dbraw/zinc/19/19/08/389191908.db2.gz FGCTYOHQXRWNLI-AEJSXWLSSA-N 1 2 282.319 0.586 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284498 389195559 /nfs/dbraw/zinc/19/55/59/389195559.db2.gz GLGRNJGADOCDAS-OLZOCXBDSA-N 1 2 287.319 0.580 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284498 389195560 /nfs/dbraw/zinc/19/55/60/389195560.db2.gz GLGRNJGADOCDAS-OLZOCXBDSA-N 1 2 287.319 0.580 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000122207587 389151292 /nfs/dbraw/zinc/15/12/92/389151292.db2.gz VCKCHTBVVCVTSB-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1CCC1 ZINC000329456166 389165010 /nfs/dbraw/zinc/16/50/10/389165010.db2.gz QCHBOZNSZHMLSH-JTQLQIEISA-N 1 2 280.328 0.819 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1CCC1 ZINC000329456166 389165012 /nfs/dbraw/zinc/16/50/12/389165012.db2.gz QCHBOZNSZHMLSH-JTQLQIEISA-N 1 2 280.328 0.819 20 30 CCEDLO CN1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000329468448 389165729 /nfs/dbraw/zinc/16/57/29/389165729.db2.gz XIPXGNJERAKCMT-YPMHNXCESA-N 1 2 295.383 0.817 20 30 CCEDLO CN1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000329468448 389165732 /nfs/dbraw/zinc/16/57/32/389165732.db2.gz XIPXGNJERAKCMT-YPMHNXCESA-N 1 2 295.383 0.817 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000125443414 389166591 /nfs/dbraw/zinc/16/65/91/389166591.db2.gz LDGOOQPKGATJFM-UHFFFAOYSA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000125443414 389166595 /nfs/dbraw/zinc/16/65/95/389166595.db2.gz LDGOOQPKGATJFM-UHFFFAOYSA-N 1 2 297.355 0.416 20 30 CCEDLO CCN1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000329602252 389174729 /nfs/dbraw/zinc/17/47/29/389174729.db2.gz KVTDUGQXOIRYHA-SNVBAGLBSA-N 1 2 291.355 0.345 20 30 CCEDLO CCN1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000329602252 389174733 /nfs/dbraw/zinc/17/47/33/389174733.db2.gz KVTDUGQXOIRYHA-SNVBAGLBSA-N 1 2 291.355 0.345 20 30 CCEDLO Cn1nccc1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000329608956 389175620 /nfs/dbraw/zinc/17/56/20/389175620.db2.gz NHTXRJLFELJGNV-UHFFFAOYSA-N 1 2 260.301 0.546 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCOCC3CC3)C[C@@H]21 ZINC000329616832 389177361 /nfs/dbraw/zinc/17/73/61/389177361.db2.gz PYZULHXXFKJBMW-QWHCGFSZSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCOCC3CC3)C[C@@H]21 ZINC000329616832 389177362 /nfs/dbraw/zinc/17/73/62/389177362.db2.gz PYZULHXXFKJBMW-QWHCGFSZSA-N 1 2 283.372 0.342 20 30 CCEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CCO)CCC2 ZINC000330570780 389242687 /nfs/dbraw/zinc/24/26/87/389242687.db2.gz IQJVSIDOLGVQAQ-LLVKDONJSA-N 1 2 266.345 0.907 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000330595709 389245234 /nfs/dbraw/zinc/24/52/34/389245234.db2.gz CJBWCYONQYPMLJ-LLVKDONJSA-N 1 2 294.355 0.908 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000330595709 389245238 /nfs/dbraw/zinc/24/52/38/389245238.db2.gz CJBWCYONQYPMLJ-LLVKDONJSA-N 1 2 294.355 0.908 20 30 CCEDLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c[nH+]1 ZINC000330638390 389248338 /nfs/dbraw/zinc/24/83/38/389248338.db2.gz GLXUTZZHFFLHPO-GXSJLCMTSA-N 1 2 280.328 0.659 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC000330688003 389252391 /nfs/dbraw/zinc/25/23/91/389252391.db2.gz CTSQZCLQXMBUSE-UHFFFAOYSA-N 1 2 256.350 0.016 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000330688003 389252392 /nfs/dbraw/zinc/25/23/92/389252392.db2.gz CTSQZCLQXMBUSE-UHFFFAOYSA-N 1 2 256.350 0.016 20 30 CCEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000342981902 389255898 /nfs/dbraw/zinc/25/58/98/389255898.db2.gz VBESEXMGXXUYOY-LLVKDONJSA-N 1 2 278.356 0.897 20 30 CCEDLO C=CCCOCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000342954999 389255923 /nfs/dbraw/zinc/25/59/23/389255923.db2.gz ZUFAYOHNZHHLMX-OAHLLOKOSA-N 1 2 295.427 0.865 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342299426 389208184 /nfs/dbraw/zinc/20/81/84/389208184.db2.gz ZPYYEXPNUMLMDQ-YDHLFZDLSA-N 1 2 282.384 0.635 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329898625 389209850 /nfs/dbraw/zinc/20/98/50/389209850.db2.gz MJAWOMHMYXUFAF-MFKMUULPSA-N 1 2 254.330 0.985 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329898625 389209851 /nfs/dbraw/zinc/20/98/51/389209851.db2.gz MJAWOMHMYXUFAF-MFKMUULPSA-N 1 2 254.330 0.985 20 30 CCEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330280315 389219659 /nfs/dbraw/zinc/21/96/59/389219659.db2.gz SFTPEWUPTYXBIL-GWCFXTLKSA-N 1 2 264.329 0.881 20 30 CCEDLO C[C@]1(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330280315 389219661 /nfs/dbraw/zinc/21/96/61/389219661.db2.gz SFTPEWUPTYXBIL-GWCFXTLKSA-N 1 2 264.329 0.881 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000245898004 389220100 /nfs/dbraw/zinc/22/01/00/389220100.db2.gz JJDAEHWREGQAHY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000245898004 389220102 /nfs/dbraw/zinc/22/01/02/389220102.db2.gz JJDAEHWREGQAHY-OLZOCXBDSA-N 1 2 294.399 0.595 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c[nH+]1 ZINC000330441697 389230178 /nfs/dbraw/zinc/23/01/78/389230178.db2.gz DTVLDJRWEGKUEU-QMMMGPOBSA-N 1 2 264.285 0.559 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCNC1=O ZINC000330441795 389230384 /nfs/dbraw/zinc/23/03/84/389230384.db2.gz SOFQZDMRJMLEFA-ZJUUUORDSA-N 1 2 265.317 0.054 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342638739 389233312 /nfs/dbraw/zinc/23/33/12/389233312.db2.gz NHZIISRIWSQXOJ-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342638739 389233314 /nfs/dbraw/zinc/23/33/14/389233314.db2.gz NHZIISRIWSQXOJ-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000362371309 389234942 /nfs/dbraw/zinc/23/49/42/389234942.db2.gz QHAURYOIVKSPJT-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000362371309 389234943 /nfs/dbraw/zinc/23/49/43/389234943.db2.gz QHAURYOIVKSPJT-NSHDSACASA-N 1 2 255.362 0.971 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000330503807 389236301 /nfs/dbraw/zinc/23/63/01/389236301.db2.gz GARYINDTISRPQL-VIFPVBQESA-N 1 2 267.333 0.291 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000264654895 389343019 /nfs/dbraw/zinc/34/30/19/389343019.db2.gz PMUPZKJLGXEOJY-AWEZNQCLSA-N 1 2 287.367 0.926 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000264654895 389343022 /nfs/dbraw/zinc/34/30/22/389343022.db2.gz PMUPZKJLGXEOJY-AWEZNQCLSA-N 1 2 287.367 0.926 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000331840398 389314362 /nfs/dbraw/zinc/31/43/62/389314362.db2.gz KPFPLUOMHOBOPT-OCCSQVGLSA-N 1 2 297.424 0.595 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000331840398 389314363 /nfs/dbraw/zinc/31/43/63/389314363.db2.gz KPFPLUOMHOBOPT-OCCSQVGLSA-N 1 2 297.424 0.595 20 30 CCEDLO C[C@H]1OCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C ZINC000156320277 389325466 /nfs/dbraw/zinc/32/54/66/389325466.db2.gz MUFVRYSADZKHMW-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@H]1OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C ZINC000156320277 389325467 /nfs/dbraw/zinc/32/54/67/389325467.db2.gz MUFVRYSADZKHMW-CHWSQXEVSA-N 1 2 278.356 0.752 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346451134 389329516 /nfs/dbraw/zinc/32/95/16/389329516.db2.gz JGGRFIGONZGJKC-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346451134 389329517 /nfs/dbraw/zinc/32/95/17/389329517.db2.gz JGGRFIGONZGJKC-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346870968 389340023 /nfs/dbraw/zinc/34/00/23/389340023.db2.gz LKUKPTFCXDSZDB-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346870968 389340024 /nfs/dbraw/zinc/34/00/24/389340024.db2.gz LKUKPTFCXDSZDB-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000343636816 389268874 /nfs/dbraw/zinc/26/88/74/389268874.db2.gz JIIMBBKPDZYPSD-QWHCGFSZSA-N 1 2 265.357 0.859 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153399240 389299508 /nfs/dbraw/zinc/29/95/08/389299508.db2.gz DPTCRGMAGSBSFL-NWDGAFQWSA-N 1 2 287.354 0.786 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153399240 389299511 /nfs/dbraw/zinc/29/95/11/389299511.db2.gz DPTCRGMAGSBSFL-NWDGAFQWSA-N 1 2 287.354 0.786 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#N)CCN1CC(F)F ZINC000153537443 389302903 /nfs/dbraw/zinc/30/29/03/389302903.db2.gz DTFQGHAWKAHERR-SNVBAGLBSA-N 1 2 274.315 0.287 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCN1CC(F)F ZINC000153537443 389302906 /nfs/dbraw/zinc/30/29/06/389302906.db2.gz DTFQGHAWKAHERR-SNVBAGLBSA-N 1 2 274.315 0.287 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000267418647 389370062 /nfs/dbraw/zinc/37/00/62/389370062.db2.gz LYKHHKKIOINVOP-GHMZBOCLSA-N 1 2 269.345 0.474 20 30 CCEDLO COC(=O)[C@@]1([NH2+]CCCSCC#N)CCOC1 ZINC000348105919 389364859 /nfs/dbraw/zinc/36/48/59/389364859.db2.gz GKWDPQLDTSDOPP-LLVKDONJSA-N 1 2 258.343 0.555 20 30 CCEDLO C#CCCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272638869 389470344 /nfs/dbraw/zinc/47/03/44/389470344.db2.gz XFRAAJLYJWYXCF-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272638869 389470346 /nfs/dbraw/zinc/47/03/46/389470346.db2.gz XFRAAJLYJWYXCF-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272638874 389470366 /nfs/dbraw/zinc/47/03/66/389470366.db2.gz XFRAAJLYJWYXCF-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000272638874 389470368 /nfs/dbraw/zinc/47/03/68/389470368.db2.gz XFRAAJLYJWYXCF-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000412450805 389479907 /nfs/dbraw/zinc/47/99/07/389479907.db2.gz VSDDWIFXXRMXOE-DOMZBBRYSA-N 1 2 295.383 0.342 20 30 CCEDLO C=C(Br)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000274078249 389482801 /nfs/dbraw/zinc/48/28/01/389482801.db2.gz SBMONQNNZHFWCL-VIFPVBQESA-N 1 2 260.135 0.952 20 30 CCEDLO CCS(=O)(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411230602 389421947 /nfs/dbraw/zinc/42/19/47/389421947.db2.gz ZEADNDWXYWHXQC-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000349799008 389437619 /nfs/dbraw/zinc/43/76/19/389437619.db2.gz JUGWPLUEMLNCQJ-UHFFFAOYSA-N 1 2 266.282 0.363 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411877643 389454303 /nfs/dbraw/zinc/45/43/03/389454303.db2.gz RLBSUEIWUSOYST-YPMHNXCESA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411877643 389454307 /nfs/dbraw/zinc/45/43/07/389454307.db2.gz RLBSUEIWUSOYST-YPMHNXCESA-N 1 2 295.383 0.888 20 30 CCEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000279369900 389568539 /nfs/dbraw/zinc/56/85/39/389568539.db2.gz WZRNELLRFFOWFB-UHFFFAOYSA-N 1 2 270.358 0.292 20 30 CCEDLO C/N=C1/S[C@@H](CC(=O)NCCC[NH+](C)C)C(=O)N1C ZINC000174892247 389532834 /nfs/dbraw/zinc/53/28/34/389532834.db2.gz MTHIIZXAVWDKEY-XRNDOFNESA-N 1 2 286.401 0.004 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000335318570 389548544 /nfs/dbraw/zinc/54/85/44/389548544.db2.gz AWHKLUFYJXLTRG-VIFPVBQESA-N 1 2 255.281 0.828 20 30 CCEDLO C=CCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373598710 389500498 /nfs/dbraw/zinc/50/04/98/389500498.db2.gz ZFIPECYMLGJBQH-AWEZNQCLSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373598710 389500499 /nfs/dbraw/zinc/50/04/99/389500499.db2.gz ZFIPECYMLGJBQH-AWEZNQCLSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C)C1=O ZINC000281183993 389610096 /nfs/dbraw/zinc/61/00/96/389610096.db2.gz BAZWQURDLJKCCG-WDEREUQCSA-N 1 2 253.346 0.182 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C)C1=O ZINC000281183993 389610100 /nfs/dbraw/zinc/61/01/00/389610100.db2.gz BAZWQURDLJKCCG-WDEREUQCSA-N 1 2 253.346 0.182 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335846715 389613025 /nfs/dbraw/zinc/61/30/25/389613025.db2.gz GVNRXTPORVDAJF-SNVBAGLBSA-N 1 2 255.343 0.693 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)CC)C1=O ZINC000281310346 389613561 /nfs/dbraw/zinc/61/35/61/389613561.db2.gz KLNPUCNLKJSHME-LLVKDONJSA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)CC)C1=O ZINC000281310346 389613562 /nfs/dbraw/zinc/61/35/62/389613562.db2.gz KLNPUCNLKJSHME-LLVKDONJSA-N 1 2 253.346 0.183 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nncn2C)C1=O ZINC000281964126 389641127 /nfs/dbraw/zinc/64/11/27/389641127.db2.gz KQTURGXPJMRZPD-VXGBXAGGSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nncn2C)C1=O ZINC000281964126 389641130 /nfs/dbraw/zinc/64/11/30/389641130.db2.gz KQTURGXPJMRZPD-VXGBXAGGSA-N 1 2 275.356 0.739 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2noc(C)n2)CC1 ZINC000351340124 389575788 /nfs/dbraw/zinc/57/57/88/389575788.db2.gz NSXWNEVCGFMVKA-NSHDSACASA-N 1 2 293.371 0.359 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000182868359 389719427 /nfs/dbraw/zinc/71/94/27/389719427.db2.gz PAMNQEPSOSRALE-NSHDSACASA-N 1 2 254.334 0.120 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000427487392 389681524 /nfs/dbraw/zinc/68/15/24/389681524.db2.gz LRAIJCXUZDETBT-NSHDSACASA-N 1 2 282.388 0.497 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000427487392 389681527 /nfs/dbraw/zinc/68/15/27/389681527.db2.gz LRAIJCXUZDETBT-NSHDSACASA-N 1 2 282.388 0.497 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416666867 389765208 /nfs/dbraw/zinc/76/52/08/389765208.db2.gz PJPXWGCLCOSSRM-QWHCGFSZSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416666867 389765210 /nfs/dbraw/zinc/76/52/10/389765210.db2.gz PJPXWGCLCOSSRM-QWHCGFSZSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430259205 389790367 /nfs/dbraw/zinc/79/03/67/389790367.db2.gz QFGQTWOOCFCWIF-NWDGAFQWSA-N 1 2 278.356 0.682 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430259850 389790849 /nfs/dbraw/zinc/79/08/49/389790849.db2.gz FWBYDHCBMZTSET-QWRGUYRKSA-N 1 2 261.329 0.999 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352457686 389813772 /nfs/dbraw/zinc/81/37/72/389813772.db2.gz YTBNDKAHCXHWAL-CQSZACIVSA-N 1 2 285.307 0.926 20 30 CCEDLO N#CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000408167992 389831283 /nfs/dbraw/zinc/83/12/83/389831283.db2.gz ZNEPGUQAKURZAH-LBPRGKRZSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000408167992 389831287 /nfs/dbraw/zinc/83/12/87/389831287.db2.gz ZNEPGUQAKURZAH-LBPRGKRZSA-N 1 2 251.330 0.660 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000354123894 389860308 /nfs/dbraw/zinc/86/03/08/389860308.db2.gz DKIDYGFWKQBRDD-UHFFFAOYSA-N 1 2 271.386 0.648 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000443792991 389884942 /nfs/dbraw/zinc/88/49/42/389884942.db2.gz WDQWICYPOMNMMX-LLVKDONJSA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000443792991 389884944 /nfs/dbraw/zinc/88/49/44/389884944.db2.gz WDQWICYPOMNMMX-LLVKDONJSA-N 1 2 285.394 0.873 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+](CC(N)=O)CC2)c(Cl)c1 ZINC000439441222 390021331 /nfs/dbraw/zinc/02/13/31/390021331.db2.gz RJUREQMWIDSAAA-UHFFFAOYSA-N 1 2 292.770 0.815 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492943845 390118651 /nfs/dbraw/zinc/11/86/51/390118651.db2.gz CBOCOGFZCIZTCE-GUOLPTJISA-N 1 2 261.325 0.807 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000491394514 390112890 /nfs/dbraw/zinc/11/28/90/390112890.db2.gz MUMANJAHFKBJAJ-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000491394514 390112891 /nfs/dbraw/zinc/11/28/91/390112891.db2.gz MUMANJAHFKBJAJ-LBPRGKRZSA-N 1 2 265.357 0.514 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000579497573 390181416 /nfs/dbraw/zinc/18/14/16/390181416.db2.gz XINNGWNDZWRLAO-SNVBAGLBSA-N 1 2 283.357 0.076 20 30 CCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H](C)C#N)C2)CC1 ZINC000541019565 390234175 /nfs/dbraw/zinc/23/41/75/390234175.db2.gz KSPLMVAHAMSDSN-UONOGXRCSA-N 1 2 293.415 0.567 20 30 CCEDLO N#CC1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583789339 390311187 /nfs/dbraw/zinc/31/11/87/390311187.db2.gz YZHOHHAXKADYFG-UHFFFAOYSA-N 1 2 283.291 0.693 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@H](C)[NH+]2CCSCC2)nn1 ZINC000644785865 390313549 /nfs/dbraw/zinc/31/35/49/390313549.db2.gz AJUZLVYRAHXDAT-NSHDSACASA-N 1 2 295.412 0.518 20 30 CCEDLO C=C(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583908125 390322855 /nfs/dbraw/zinc/32/28/55/390322855.db2.gz XIKDWYOVYUWLKZ-UHFFFAOYSA-N 1 2 258.281 0.965 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ccncc2C#N)[C@@H](C)CO1 ZINC000596430250 390369573 /nfs/dbraw/zinc/36/95/73/390369573.db2.gz KSIWQEOWJSVCSX-NWDGAFQWSA-N 1 2 260.341 0.896 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ccncc2C#N)[C@@H](C)CO1 ZINC000596430250 390369577 /nfs/dbraw/zinc/36/95/77/390369577.db2.gz KSIWQEOWJSVCSX-NWDGAFQWSA-N 1 2 260.341 0.896 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(C)(C)COC)CC1 ZINC000644946774 390352942 /nfs/dbraw/zinc/35/29/42/390352942.db2.gz SPYMWFVVOWEDGS-ZDUSSCGKSA-N 1 2 256.390 0.966 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000645009604 390361625 /nfs/dbraw/zinc/36/16/25/390361625.db2.gz WXZFXUDCWJMMKI-LBPRGKRZSA-N 1 2 259.371 0.393 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000645009604 390361627 /nfs/dbraw/zinc/36/16/27/390361627.db2.gz WXZFXUDCWJMMKI-LBPRGKRZSA-N 1 2 259.371 0.393 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)[NH+]1CCN(C)CC1 ZINC000547824748 390402494 /nfs/dbraw/zinc/40/24/94/390402494.db2.gz BEGJAWQBXAQHQZ-LBPRGKRZSA-N 1 2 259.357 0.423 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000645200322 390386921 /nfs/dbraw/zinc/38/69/21/390386921.db2.gz SNQYBGCBFVMBIK-CYBMUJFWSA-N 1 2 278.356 0.737 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000562100876 390489005 /nfs/dbraw/zinc/48/90/05/390489005.db2.gz VPAKEVUPQQXCSA-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000562100876 390489008 /nfs/dbraw/zinc/48/90/08/390489008.db2.gz VPAKEVUPQQXCSA-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO CC[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000563900357 390494013 /nfs/dbraw/zinc/49/40/13/390494013.db2.gz SNPCJTXVQRRVDE-ZDUSSCGKSA-N 1 2 268.361 0.251 20 30 CCEDLO CC[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000563900357 390494018 /nfs/dbraw/zinc/49/40/18/390494018.db2.gz SNPCJTXVQRRVDE-ZDUSSCGKSA-N 1 2 268.361 0.251 20 30 CCEDLO CC1(C)C[NH+](CC(=O)N2CCSC[C@H]2C#N)C1 ZINC000565316263 390502827 /nfs/dbraw/zinc/50/28/27/390502827.db2.gz ZJVQHSNLIQXODT-SNVBAGLBSA-N 1 2 253.371 0.796 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000649183735 390513810 /nfs/dbraw/zinc/51/38/10/390513810.db2.gz ZCVHCXLXUQTPIL-HIFRSBDPSA-N 1 2 294.395 0.520 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000649183735 390513816 /nfs/dbraw/zinc/51/38/16/390513816.db2.gz ZCVHCXLXUQTPIL-HIFRSBDPSA-N 1 2 294.395 0.520 20 30 CCEDLO CN(C)C(=O)[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000507221999 390463652 /nfs/dbraw/zinc/46/36/52/390463652.db2.gz QQHPIQQWKLJLID-ZDUSSCGKSA-N 1 2 274.324 0.045 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000516230105 390480304 /nfs/dbraw/zinc/48/03/04/390480304.db2.gz IEKBVCWOVSBLJD-UKRRQHHQSA-N 1 2 273.336 0.950 20 30 CCEDLO Cc1cccn2cc(CC(=O)N3CCO[C@H](C#N)C3)[nH+]c12 ZINC000520684305 390586922 /nfs/dbraw/zinc/58/69/22/390586922.db2.gz FGCSOXALPPKYNW-CYBMUJFWSA-N 1 2 284.319 0.936 20 30 CCEDLO Cc1[nH][nH]c(=O)c1CCNc1cc(C)[nH+]cc1C#N ZINC000519645065 390523694 /nfs/dbraw/zinc/52/36/94/390523694.db2.gz YPUGZXLBAOMZRW-LLVKDONJSA-N 1 2 257.297 0.608 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C#N)CC1 ZINC000519859676 390553489 /nfs/dbraw/zinc/55/34/89/390553489.db2.gz ZFVBEJVMYVCSQV-LBPRGKRZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000567903374 390711505 /nfs/dbraw/zinc/71/15/05/390711505.db2.gz QQRXYIMWSVSJQG-BXUZGUMPSA-N 1 2 277.372 0.874 20 30 CCEDLO CNC(=O)CCSC[C@H](O)C[N@H+](C)CCC#N ZINC000570635638 390718830 /nfs/dbraw/zinc/71/88/30/390718830.db2.gz PPFQYXKGWAVXNL-SNVBAGLBSA-N 1 2 259.375 0.062 20 30 CCEDLO CNC(=O)CCSC[C@H](O)C[N@@H+](C)CCC#N ZINC000570635638 390718832 /nfs/dbraw/zinc/71/88/32/390718832.db2.gz PPFQYXKGWAVXNL-SNVBAGLBSA-N 1 2 259.375 0.062 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528777404 390776969 /nfs/dbraw/zinc/77/69/69/390776969.db2.gz UUGCGTBGVKEKKN-UTUOFQBUSA-N 1 2 286.397 0.329 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528777404 390776971 /nfs/dbraw/zinc/77/69/71/390776971.db2.gz UUGCGTBGVKEKKN-UTUOFQBUSA-N 1 2 286.397 0.329 20 30 CCEDLO Cn1cnnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000572460741 390784256 /nfs/dbraw/zinc/78/42/56/390784256.db2.gz STWLOPBAFXERIC-GFCCVEGCSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1cnnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000572460741 390784258 /nfs/dbraw/zinc/78/42/58/390784258.db2.gz STWLOPBAFXERIC-GFCCVEGCSA-N 1 2 284.323 0.735 20 30 CCEDLO Cc1c[nH+]cn1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000528967677 390786017 /nfs/dbraw/zinc/78/60/17/390786017.db2.gz CWBGQJIWBZWACU-JTQLQIEISA-N 1 2 271.280 0.517 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC2(C#N)CC2)[C@H](C)C1=O ZINC000528463577 390747118 /nfs/dbraw/zinc/74/71/18/390747118.db2.gz HXVOUPCTVADLPK-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@H](C)C1=O ZINC000528463577 390747120 /nfs/dbraw/zinc/74/71/20/390747120.db2.gz HXVOUPCTVADLPK-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H]1O ZINC000451765590 533478811 /nfs/dbraw/zinc/47/88/11/533478811.db2.gz VIXXDASYCUSDME-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1O ZINC000451765590 533478818 /nfs/dbraw/zinc/47/88/18/533478818.db2.gz VIXXDASYCUSDME-CHWSQXEVSA-N 1 2 250.273 0.889 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)N2CCOCC2)cc1C#N ZINC000191181790 130196965 /nfs/dbraw/zinc/19/69/65/130196965.db2.gz ZWOVMGJJVZLUHV-UHFFFAOYSA-N 1 2 276.340 0.187 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)N2CCOCC2)cc1C#N ZINC000191181790 130196967 /nfs/dbraw/zinc/19/69/67/130196967.db2.gz ZWOVMGJJVZLUHV-UHFFFAOYSA-N 1 2 276.340 0.187 20 30 CCEDLO Cn1cc(CN2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000284506582 196071398 /nfs/dbraw/zinc/07/13/98/196071398.db2.gz YALIIRGJICHFMC-GJZGRUSLSA-N 1 2 274.368 0.802 20 30 CCEDLO Cn1cc(CN2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000284506582 196071400 /nfs/dbraw/zinc/07/14/00/196071400.db2.gz YALIIRGJICHFMC-GJZGRUSLSA-N 1 2 274.368 0.802 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652495476 412063736 /nfs/dbraw/zinc/06/37/36/412063736.db2.gz XOPPXYCSHVYGQF-LBPRGKRZSA-N 1 2 275.352 0.652 20 30 CCEDLO C=CCCn1cc(C[N@@H+](CCO)CCOC)nn1 ZINC000653539176 412312732 /nfs/dbraw/zinc/31/27/32/412312732.db2.gz VEQDCEFQLHRHFN-UHFFFAOYSA-N 1 2 254.334 0.295 20 30 CCEDLO C=CCCn1cc(C[N@H+](CCO)CCOC)nn1 ZINC000653539176 412312735 /nfs/dbraw/zinc/31/27/35/412312735.db2.gz VEQDCEFQLHRHFN-UHFFFAOYSA-N 1 2 254.334 0.295 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@](O)(CO)C2)nn1 ZINC000653759766 412343021 /nfs/dbraw/zinc/34/30/21/412343021.db2.gz SHDKBTBUJBGHQQ-CYBMUJFWSA-N 1 2 266.345 0.173 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@](O)(CO)C2)nn1 ZINC000653759766 412343025 /nfs/dbraw/zinc/34/30/25/412343025.db2.gz SHDKBTBUJBGHQQ-CYBMUJFWSA-N 1 2 266.345 0.173 20 30 CCEDLO CCC[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OCC ZINC000284997756 196173891 /nfs/dbraw/zinc/17/38/91/196173891.db2.gz FNGBOAKCRKAPQS-SNVBAGLBSA-N 1 2 265.317 0.471 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000654874068 412446255 /nfs/dbraw/zinc/44/62/55/412446255.db2.gz OQXSWFJBVSXMLN-KBPBESRZSA-N 1 2 282.384 0.494 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(C)oc2C)CC1 ZINC000659809835 413884750 /nfs/dbraw/zinc/88/47/50/413884750.db2.gz IWQGTQNKMXVYLM-UHFFFAOYSA-N 1 2 292.383 0.711 20 30 CCEDLO CCC#C[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681888 414662769 /nfs/dbraw/zinc/66/27/69/414662769.db2.gz HTJWRBUITNVLMK-VXGBXAGGSA-N 1 2 258.387 0.754 20 30 CCEDLO CCC#C[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681888 414662772 /nfs/dbraw/zinc/66/27/72/414662772.db2.gz HTJWRBUITNVLMK-VXGBXAGGSA-N 1 2 258.387 0.754 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000665153878 415553121 /nfs/dbraw/zinc/55/31/21/415553121.db2.gz IYQWBHBCJPELFP-AWEZNQCLSA-N 1 2 261.325 0.667 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000070754386 176005035 /nfs/dbraw/zinc/00/50/35/176005035.db2.gz JDOISKOTIIRTBR-SNVBAGLBSA-N 1 2 255.362 0.524 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000070754386 176005034 /nfs/dbraw/zinc/00/50/34/176005034.db2.gz JDOISKOTIIRTBR-SNVBAGLBSA-N 1 2 255.362 0.524 20 30 CCEDLO C#CCOc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000077012355 177147693 /nfs/dbraw/zinc/14/76/93/177147693.db2.gz LOOYTYJQRSGGBK-UHFFFAOYSA-N 1 2 274.364 0.809 20 30 CCEDLO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329017740 227259436 /nfs/dbraw/zinc/25/94/36/227259436.db2.gz RGZKCDUCUVPNMH-LLVKDONJSA-N 1 2 272.370 0.640 20 30 CCEDLO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329017740 227259439 /nfs/dbraw/zinc/25/94/39/227259439.db2.gz RGZKCDUCUVPNMH-LLVKDONJSA-N 1 2 272.370 0.640 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)N1CCOCC2(CC2)C1 ZINC000329317962 227437024 /nfs/dbraw/zinc/43/70/24/227437024.db2.gz SPWBQKQYWORAHV-UHFFFAOYSA-N 1 2 283.372 0.345 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329971097 228002914 /nfs/dbraw/zinc/00/29/14/228002914.db2.gz VIYSPFSHHSMISM-RQJABVFESA-N 1 2 297.399 0.525 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329971097 228002916 /nfs/dbraw/zinc/00/29/16/228002916.db2.gz VIYSPFSHHSMISM-RQJABVFESA-N 1 2 297.399 0.525 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000331622156 228115283 /nfs/dbraw/zinc/11/52/83/228115283.db2.gz YADQLBGKLZFPNC-SNVBAGLBSA-N 1 2 299.338 0.172 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329781188 545026143 /nfs/dbraw/zinc/02/61/43/545026143.db2.gz SMRDCPKGPCPXLY-TUAOUCFPSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329781188 545026144 /nfs/dbraw/zinc/02/61/44/545026144.db2.gz SMRDCPKGPCPXLY-TUAOUCFPSA-N 1 2 269.345 0.094 20 30 CCEDLO Cn1cc(C#N)c(NC(=O)NCc2[nH+]ccn2C)n1 ZINC000610565181 420494761 /nfs/dbraw/zinc/49/47/61/420494761.db2.gz WYJGSYKMTWINRA-UHFFFAOYSA-N 1 2 259.273 0.347 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCSc1nnc(CC#N)n1C ZINC000357063442 260123824 /nfs/dbraw/zinc/12/38/24/260123824.db2.gz ZTGSCDLVJLYRGB-SNVBAGLBSA-N 1 2 281.385 0.694 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCSc1nnc(CC#N)n1C ZINC000357063442 260123826 /nfs/dbraw/zinc/12/38/26/260123826.db2.gz ZTGSCDLVJLYRGB-SNVBAGLBSA-N 1 2 281.385 0.694 20 30 CCEDLO CC[C@@H](C(=O)N1CCO[C@@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000408000201 260166110 /nfs/dbraw/zinc/16/61/10/260166110.db2.gz ZYNXENZLOKLVCJ-RDBSUJKOSA-N 1 2 295.383 0.627 20 30 CCEDLO CC[C@@H](C(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000408000201 260166111 /nfs/dbraw/zinc/16/61/11/260166111.db2.gz ZYNXENZLOKLVCJ-RDBSUJKOSA-N 1 2 295.383 0.627 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357298717 260176435 /nfs/dbraw/zinc/17/64/35/260176435.db2.gz FBRFZEOSVKQKHC-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357298717 260176436 /nfs/dbraw/zinc/17/64/36/260176436.db2.gz FBRFZEOSVKQKHC-OLZOCXBDSA-N 1 2 294.399 0.547 20 30 CCEDLO CC[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(N)=O ZINC000159458518 261187060 /nfs/dbraw/zinc/18/70/60/261187060.db2.gz BMMBECNVDLQTMA-JTQLQIEISA-N 1 2 263.297 0.522 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007926247 261308106 /nfs/dbraw/zinc/30/81/06/261308106.db2.gz AIWUXGIZPADALC-AWEZNQCLSA-N 1 2 278.356 0.005 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007926247 261308109 /nfs/dbraw/zinc/30/81/09/261308109.db2.gz AIWUXGIZPADALC-AWEZNQCLSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000354485762 262267307 /nfs/dbraw/zinc/26/73/07/262267307.db2.gz XYDWCBPLLUNCPU-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000354485762 262267308 /nfs/dbraw/zinc/26/73/08/262267308.db2.gz XYDWCBPLLUNCPU-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnsn2)CC1 ZINC000119463543 262273953 /nfs/dbraw/zinc/27/39/53/262273953.db2.gz NGWZPPVJGYTBCZ-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO C=CC[N@H+](C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336710501 262382235 /nfs/dbraw/zinc/38/22/35/262382235.db2.gz MYNQZXOJQNUJTC-NEPJUHHUSA-N 1 2 275.370 0.077 20 30 CCEDLO C=CC[N@@H+](C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336710501 262382236 /nfs/dbraw/zinc/38/22/36/262382236.db2.gz MYNQZXOJQNUJTC-NEPJUHHUSA-N 1 2 275.370 0.077 20 30 CCEDLO C[C@H](C#N)CN(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000336804901 262395497 /nfs/dbraw/zinc/39/54/97/262395497.db2.gz NNRZCVWYPPHXIZ-OCCSQVGLSA-N 1 2 267.373 0.304 20 30 CCEDLO C[C@H](C#N)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000336820365 262397818 /nfs/dbraw/zinc/39/78/18/262397818.db2.gz CRDCELIURWHMMR-SNVBAGLBSA-N 1 2 278.356 0.941 20 30 CCEDLO C[C@H](C#N)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000336820365 262397819 /nfs/dbraw/zinc/39/78/19/262397819.db2.gz CRDCELIURWHMMR-SNVBAGLBSA-N 1 2 278.356 0.941 20 30 CCEDLO CC[C@@H](CC#N)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280891466 263064725 /nfs/dbraw/zinc/06/47/25/263064725.db2.gz DCLCUMSVXBFKRB-JQWIXIFHSA-N 1 2 263.345 0.831 20 30 CCEDLO CO/N=C/C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000282851914 263079144 /nfs/dbraw/zinc/07/91/44/263079144.db2.gz BYJFYAGMPVAKAC-MHWRWJLKSA-N 1 2 262.313 0.930 20 30 CCEDLO C#CCCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000287356017 263101715 /nfs/dbraw/zinc/10/17/15/263101715.db2.gz NOOLNCPVFCBVNT-UHFFFAOYSA-N 1 2 264.333 0.531 20 30 CCEDLO C#CCCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000287356017 263101716 /nfs/dbraw/zinc/10/17/16/263101716.db2.gz NOOLNCPVFCBVNT-UHFFFAOYSA-N 1 2 264.333 0.531 20 30 CCEDLO C#CCCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000287356017 263101717 /nfs/dbraw/zinc/10/17/17/263101717.db2.gz NOOLNCPVFCBVNT-UHFFFAOYSA-N 1 2 264.333 0.531 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341986745 263381143 /nfs/dbraw/zinc/38/11/43/263381143.db2.gz FMOKMKAGVWSZFR-UHFFFAOYSA-N 1 2 251.330 0.541 20 30 CCEDLO O=C(NCCC1(O)CCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328863699 263882786 /nfs/dbraw/zinc/88/27/86/263882786.db2.gz FZMCSYLGGVBZEX-UHFFFAOYSA-N 1 2 297.399 0.660 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000330528185 263967667 /nfs/dbraw/zinc/96/76/67/263967667.db2.gz LQURJEUVAUSBGO-STQMWFEESA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000330528185 263967669 /nfs/dbraw/zinc/96/76/69/263967669.db2.gz LQURJEUVAUSBGO-STQMWFEESA-N 1 2 277.299 0.573 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC(C)(C)C(N)=O)C1 ZINC000330717621 264023371 /nfs/dbraw/zinc/02/33/71/264023371.db2.gz DCQCTUJSTSPTHY-JTQLQIEISA-N 1 2 285.392 0.297 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC(C)(C)C(N)=O)C1 ZINC000330717621 264023374 /nfs/dbraw/zinc/02/33/74/264023374.db2.gz DCQCTUJSTSPTHY-JTQLQIEISA-N 1 2 285.392 0.297 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330776379 264034996 /nfs/dbraw/zinc/03/49/96/264034996.db2.gz IZCMXFXHAKJFHT-NSHDSACASA-N 1 2 296.371 0.677 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330776823 264035468 /nfs/dbraw/zinc/03/54/68/264035468.db2.gz JIWZAOGESUOUGF-UHFFFAOYSA-N 1 2 264.329 0.828 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330782096 264052658 /nfs/dbraw/zinc/05/26/58/264052658.db2.gz PFMCWXQJQLRLGV-VIFPVBQESA-N 1 2 294.359 0.023 20 30 CCEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330782096 264052659 /nfs/dbraw/zinc/05/26/59/264052659.db2.gz PFMCWXQJQLRLGV-VIFPVBQESA-N 1 2 294.359 0.023 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330857888 264054868 /nfs/dbraw/zinc/05/48/68/264054868.db2.gz UNKSLWHQMUCDDC-RYUDHWBXSA-N 1 2 285.413 0.404 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330857888 264054870 /nfs/dbraw/zinc/05/48/70/264054870.db2.gz UNKSLWHQMUCDDC-RYUDHWBXSA-N 1 2 285.413 0.404 20 30 CCEDLO C[C@H](C[S@](C)=O)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330860641 264055333 /nfs/dbraw/zinc/05/53/33/264055333.db2.gz WGWIOOJIWJRKOX-SBKAZYGRSA-N 1 2 298.412 0.990 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000330946393 264084869 /nfs/dbraw/zinc/08/48/69/264084869.db2.gz KSFXOAFFEZLCBE-VIFPVBQESA-N 1 2 257.334 0.536 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000330946393 264084871 /nfs/dbraw/zinc/08/48/71/264084871.db2.gz KSFXOAFFEZLCBE-VIFPVBQESA-N 1 2 257.334 0.536 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000330954797 264087048 /nfs/dbraw/zinc/08/70/48/264087048.db2.gz STEJFTIRVVYHAB-LBPRGKRZSA-N 1 2 294.330 0.972 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000330954797 264087049 /nfs/dbraw/zinc/08/70/49/264087049.db2.gz STEJFTIRVVYHAB-LBPRGKRZSA-N 1 2 294.330 0.972 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000330988004 264104487 /nfs/dbraw/zinc/10/44/87/264104487.db2.gz XKRAZDOSJIXRTH-ZDUSSCGKSA-N 1 2 256.346 0.104 20 30 CCEDLO C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1C ZINC000331008402 264106439 /nfs/dbraw/zinc/10/64/39/264106439.db2.gz UHSGKMHFPQLYTR-WDEREUQCSA-N 1 2 282.344 0.306 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCSC1 ZINC000331041430 264107984 /nfs/dbraw/zinc/10/79/84/264107984.db2.gz QUMKXLRXJJAUHA-ZDUSSCGKSA-N 1 2 297.424 0.814 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000331136052 264134454 /nfs/dbraw/zinc/13/44/54/264134454.db2.gz IKRBSXOPIUSWPA-TVQRCGJNSA-N 1 2 285.344 0.453 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000331136052 264134456 /nfs/dbraw/zinc/13/44/56/264134456.db2.gz IKRBSXOPIUSWPA-TVQRCGJNSA-N 1 2 285.344 0.453 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000331292092 264196784 /nfs/dbraw/zinc/19/67/84/264196784.db2.gz KWALNDIQQOHZBI-SECBINFHSA-N 1 2 284.360 0.026 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCNC1=O ZINC000331292092 264196785 /nfs/dbraw/zinc/19/67/85/264196785.db2.gz KWALNDIQQOHZBI-SECBINFHSA-N 1 2 284.360 0.026 20 30 CCEDLO COCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(N)=O ZINC000160029762 264223701 /nfs/dbraw/zinc/22/37/01/264223701.db2.gz ZFNBKLPKYFQBRJ-LBPRGKRZSA-N 1 2 278.327 0.999 20 30 CCEDLO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(N)=O ZINC000160029762 264223702 /nfs/dbraw/zinc/22/37/02/264223702.db2.gz ZFNBKLPKYFQBRJ-LBPRGKRZSA-N 1 2 278.327 0.999 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250242994 264256064 /nfs/dbraw/zinc/25/60/64/264256064.db2.gz AAVVRVAHKUFHEZ-NXEZZACHSA-N 1 2 254.334 0.702 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250242994 264256066 /nfs/dbraw/zinc/25/60/66/264256066.db2.gz AAVVRVAHKUFHEZ-NXEZZACHSA-N 1 2 254.334 0.702 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)NC1CCCCC1 ZINC000072906752 264281576 /nfs/dbraw/zinc/28/15/76/264281576.db2.gz TZCPLOZHKUXIRK-UHFFFAOYSA-N 1 2 275.352 0.713 20 30 CCEDLO Cn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000161682832 264293888 /nfs/dbraw/zinc/29/38/88/264293888.db2.gz CTMYBELNFIQGTI-UHFFFAOYSA-N 1 2 291.355 0.108 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077368002 264351561 /nfs/dbraw/zinc/35/15/61/264351561.db2.gz NNDMZAMBQRYCPR-TXEJJXNPSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077368002 264351564 /nfs/dbraw/zinc/35/15/64/264351564.db2.gz NNDMZAMBQRYCPR-TXEJJXNPSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000369195837 267224969 /nfs/dbraw/zinc/22/49/69/267224969.db2.gz WHKRNCZRRSYIGA-ZIAGYGMSSA-N 1 2 279.384 0.180 20 30 CCEDLO C=CCn1cc(CNC(=O)NCc2[nH+]ccn2CC)nn1 ZINC000425594911 268001598 /nfs/dbraw/zinc/00/15/98/268001598.db2.gz ZHRQLMPNRNDSSL-UHFFFAOYSA-N 1 2 289.343 0.680 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000570812843 327621094 /nfs/dbraw/zinc/62/10/94/327621094.db2.gz KGHPXMDQEBJHGI-ZDUSSCGKSA-N 1 2 281.356 0.240 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000563612179 328076695 /nfs/dbraw/zinc/07/66/95/328076695.db2.gz LEKGMEPDFMSRKI-CBBWQLFWSA-N 1 2 294.395 0.899 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000563612179 328076697 /nfs/dbraw/zinc/07/66/97/328076697.db2.gz LEKGMEPDFMSRKI-CBBWQLFWSA-N 1 2 294.395 0.899 20 30 CCEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000571288872 328098472 /nfs/dbraw/zinc/09/84/72/328098472.db2.gz JFVIVCJPZWJETO-LBPRGKRZSA-N 1 2 263.301 0.059 20 30 CCEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCNC(=O)C1 ZINC000173552416 329149214 /nfs/dbraw/zinc/14/92/14/329149214.db2.gz MAPMGMGEGDARNE-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535577392 328594251 /nfs/dbraw/zinc/59/42/51/328594251.db2.gz VKQOBXFCNNJIIZ-UHFFFAOYSA-N 1 2 273.340 0.598 20 30 CCEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1COC1 ZINC000564631976 327089047 /nfs/dbraw/zinc/08/90/47/327089047.db2.gz KOICYSCJROHJJI-CQSZACIVSA-N 1 2 265.357 0.904 20 30 CCEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1COC1 ZINC000564631976 327089048 /nfs/dbraw/zinc/08/90/48/327089048.db2.gz KOICYSCJROHJJI-CQSZACIVSA-N 1 2 265.357 0.904 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COC1CCCC1 ZINC000573376654 327139140 /nfs/dbraw/zinc/13/91/40/327139140.db2.gz WTKVWYRSDYFAOE-ZDUSSCGKSA-N 1 2 253.346 0.906 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000155484938 327393603 /nfs/dbraw/zinc/39/36/03/327393603.db2.gz PAGUKDGRFWWFRT-UHFFFAOYSA-N 1 2 289.379 0.380 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000155484938 327393604 /nfs/dbraw/zinc/39/36/04/327393604.db2.gz PAGUKDGRFWWFRT-UHFFFAOYSA-N 1 2 289.379 0.380 20 30 CCEDLO Cc1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)no1 ZINC000562323132 327470409 /nfs/dbraw/zinc/47/04/09/327470409.db2.gz QQQPIMMZJWOFBV-GFCCVEGCSA-N 1 2 250.302 0.486 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CC)CCC#N ZINC000122374655 329001888 /nfs/dbraw/zinc/00/18/88/329001888.db2.gz FMPBNWGDHHZWBJ-UHFFFAOYSA-N 1 2 268.361 0.207 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CC)CCC#N ZINC000122374655 329001889 /nfs/dbraw/zinc/00/18/89/329001889.db2.gz FMPBNWGDHHZWBJ-UHFFFAOYSA-N 1 2 268.361 0.207 20 30 CCEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cnn(C)c1 ZINC000583697179 329068556 /nfs/dbraw/zinc/06/85/56/329068556.db2.gz VORDODYQFIEXIJ-GXFFZTMASA-N 1 2 263.345 0.484 20 30 CCEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCNC(=O)C1 ZINC000173552416 329149212 /nfs/dbraw/zinc/14/92/12/329149212.db2.gz MAPMGMGEGDARNE-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C#C[C@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000187723261 329363004 /nfs/dbraw/zinc/36/30/04/329363004.db2.gz LBBLTQFELOUJRC-JSGCOSHPSA-N 1 2 297.424 0.515 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCSCC#N ZINC000189593086 329383857 /nfs/dbraw/zinc/38/38/57/329383857.db2.gz ROIHGDANEYBIFQ-MNOVXSKESA-N 1 2 272.370 0.632 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCSCC#N ZINC000189593086 329383858 /nfs/dbraw/zinc/38/38/58/329383858.db2.gz ROIHGDANEYBIFQ-MNOVXSKESA-N 1 2 272.370 0.632 20 30 CCEDLO COCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162512883 330064539 /nfs/dbraw/zinc/06/45/39/330064539.db2.gz LBVNYDLSSXKVIR-UHFFFAOYSA-N 1 2 283.372 0.487 20 30 CCEDLO C[C@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527128636 330225109 /nfs/dbraw/zinc/22/51/09/330225109.db2.gz JYGUVTQBHMYQJS-JTQLQIEISA-N 1 2 253.371 0.986 20 30 CCEDLO C[C@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527128636 330225111 /nfs/dbraw/zinc/22/51/11/330225111.db2.gz JYGUVTQBHMYQJS-JTQLQIEISA-N 1 2 253.371 0.986 20 30 CCEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)nn1 ZINC000424189726 330322800 /nfs/dbraw/zinc/32/28/00/330322800.db2.gz LGKSQXMAJUUJGL-SNVBAGLBSA-N 1 2 299.325 0.829 20 30 CCEDLO C#CC[N@@H+](CCCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000117879641 330366123 /nfs/dbraw/zinc/36/61/23/330366123.db2.gz LEDUXPKQOMYGQZ-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@H+](CCCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000117879641 330366124 /nfs/dbraw/zinc/36/61/24/330366124.db2.gz LEDUXPKQOMYGQZ-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C#CC[N@@H+](CCSCC)[C@H]1CCS(=O)(=O)C1 ZINC000119071737 330369793 /nfs/dbraw/zinc/36/97/93/330369793.db2.gz YRHDWGXAWBAENT-NSHDSACASA-N 1 2 261.412 0.862 20 30 CCEDLO C#CC[N@H+](CCSCC)[C@H]1CCS(=O)(=O)C1 ZINC000119071737 330369794 /nfs/dbraw/zinc/36/97/94/330369794.db2.gz YRHDWGXAWBAENT-NSHDSACASA-N 1 2 261.412 0.862 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCCO1 ZINC000121770811 330406878 /nfs/dbraw/zinc/40/68/78/330406878.db2.gz ZDXGOXLKZXUHBS-CQSZACIVSA-N 1 2 295.383 0.630 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000515302519 330474716 /nfs/dbraw/zinc/47/47/16/330474716.db2.gz WYMOMKBCPXKBRZ-CMPLNLGQSA-N 1 2 260.297 0.196 20 30 CCEDLO COC[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000446122794 330844993 /nfs/dbraw/zinc/84/49/93/330844993.db2.gz PAGSPNGYQLSIAF-AWEZNQCLSA-N 1 2 297.399 0.733 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000450014514 330958624 /nfs/dbraw/zinc/95/86/24/330958624.db2.gz BTUWDFXXYHNQNL-SLEUVZQESA-N 1 2 293.367 0.632 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000451202639 331020399 /nfs/dbraw/zinc/02/03/99/331020399.db2.gz XRQPMVONHOCQNL-KBPBESRZSA-N 1 2 296.390 0.723 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000451202639 331020400 /nfs/dbraw/zinc/02/04/00/331020400.db2.gz XRQPMVONHOCQNL-KBPBESRZSA-N 1 2 296.390 0.723 20 30 CCEDLO CC#CCN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458802619 331260163 /nfs/dbraw/zinc/26/01/63/331260163.db2.gz VSLSQEUZUZWUIG-ZDUSSCGKSA-N 1 2 265.357 0.514 20 30 CCEDLO CC#CCN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458802619 331260164 /nfs/dbraw/zinc/26/01/64/331260164.db2.gz VSLSQEUZUZWUIG-ZDUSSCGKSA-N 1 2 265.357 0.514 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000489206643 332043126 /nfs/dbraw/zinc/04/31/26/332043126.db2.gz NSHSTUDVWUGTQN-CHWSQXEVSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000489551911 332058901 /nfs/dbraw/zinc/05/89/01/332058901.db2.gz RJTDFMJYFXHCNY-ZDUSSCGKSA-N 1 2 290.429 0.671 20 30 CCEDLO C#CCN(C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000491045989 332142759 /nfs/dbraw/zinc/14/27/59/332142759.db2.gz NILOMAOZHSNSTJ-UHFFFAOYSA-N 1 2 288.351 0.693 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCCO2)CC1 ZINC000491067513 332144689 /nfs/dbraw/zinc/14/46/89/332144689.db2.gz IRKCAIHTIAPLLN-AWEZNQCLSA-N 1 2 289.383 0.521 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CC=C)CC1 ZINC000491461690 332215764 /nfs/dbraw/zinc/21/57/64/332215764.db2.gz FLJZVRWFYUPBRO-UHFFFAOYSA-N 1 2 289.383 0.756 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(C)C2=O)n1 ZINC000491676741 332282009 /nfs/dbraw/zinc/28/20/09/332282009.db2.gz XCBIMTADNAEAOH-CQSZACIVSA-N 1 2 274.368 0.959 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(C)C2=O)n1 ZINC000491676741 332282011 /nfs/dbraw/zinc/28/20/11/332282011.db2.gz XCBIMTADNAEAOH-CQSZACIVSA-N 1 2 274.368 0.959 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000491730777 332312443 /nfs/dbraw/zinc/31/24/43/332312443.db2.gz HXRMZBNEXZMYPE-SNVBAGLBSA-N 1 2 286.253 0.942 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000491730777 332312441 /nfs/dbraw/zinc/31/24/41/332312441.db2.gz HXRMZBNEXZMYPE-SNVBAGLBSA-N 1 2 286.253 0.942 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000491738875 332318511 /nfs/dbraw/zinc/31/85/11/332318511.db2.gz MZUQXIJPJZHPPE-HNNXBMFYSA-N 1 2 272.348 0.868 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000491738875 332318513 /nfs/dbraw/zinc/31/85/13/332318513.db2.gz MZUQXIJPJZHPPE-HNNXBMFYSA-N 1 2 272.348 0.868 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491748710 332325885 /nfs/dbraw/zinc/32/58/85/332325885.db2.gz TZJCPZJGHIIPCP-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491748710 332325886 /nfs/dbraw/zinc/32/58/86/332325886.db2.gz TZJCPZJGHIIPCP-LBPRGKRZSA-N 1 2 267.373 0.808 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000174386774 332997376 /nfs/dbraw/zinc/99/73/76/332997376.db2.gz KILXTDXCZCCPSR-NSHDSACASA-N 1 2 281.356 0.632 20 30 CCEDLO CC(C)OC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000177028359 333052607 /nfs/dbraw/zinc/05/26/07/333052607.db2.gz PHKSCQOPNNVEAP-OAHLLOKOSA-N 1 2 299.415 0.320 20 30 CCEDLO CC(C)OC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000177028359 333052608 /nfs/dbraw/zinc/05/26/08/333052608.db2.gz PHKSCQOPNNVEAP-OAHLLOKOSA-N 1 2 299.415 0.320 20 30 CCEDLO CC(C)OC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000177028359 333052609 /nfs/dbraw/zinc/05/26/09/333052609.db2.gz PHKSCQOPNNVEAP-OAHLLOKOSA-N 1 2 299.415 0.320 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185279710 333137976 /nfs/dbraw/zinc/13/79/76/333137976.db2.gz IDAQGAZDUYNOTF-BUXKBTBVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185279710 333137977 /nfs/dbraw/zinc/13/79/77/333137977.db2.gz IDAQGAZDUYNOTF-BUXKBTBVSA-N 1 2 284.425 0.747 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000192551498 333236363 /nfs/dbraw/zinc/23/63/63/333236363.db2.gz MCLHKBDOVRWNLR-JTQLQIEISA-N 1 2 292.335 0.944 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000192551498 333236364 /nfs/dbraw/zinc/23/63/64/333236364.db2.gz MCLHKBDOVRWNLR-JTQLQIEISA-N 1 2 292.335 0.944 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCCO1 ZINC000195147760 333246625 /nfs/dbraw/zinc/24/66/25/333246625.db2.gz MKEWNYOMAWZBBT-CQSZACIVSA-N 1 2 295.383 0.630 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2nncs2)CC1 ZINC000195217127 333248223 /nfs/dbraw/zinc/24/82/23/333248223.db2.gz KNORUEYRNARZOG-UHFFFAOYSA-N 1 2 251.315 0.321 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Nc2nnc(C)s2)CC1 ZINC000195217098 333248354 /nfs/dbraw/zinc/24/83/54/333248354.db2.gz XMUCZPWMMHSSLZ-UHFFFAOYSA-N 1 2 265.342 0.629 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000193959680 333261615 /nfs/dbraw/zinc/26/16/15/333261615.db2.gz ZPJUEPQFPPUQJZ-ZDUSSCGKSA-N 1 2 278.356 0.753 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000193959680 333261616 /nfs/dbraw/zinc/26/16/16/333261616.db2.gz ZPJUEPQFPPUQJZ-ZDUSSCGKSA-N 1 2 278.356 0.753 20 30 CCEDLO COCC1(CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000577114076 335302530 /nfs/dbraw/zinc/30/25/30/335302530.db2.gz DFDZHZHTGNKVRA-GFCCVEGCSA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(CF)CCC2)c1C#N ZINC000581431384 336076494 /nfs/dbraw/zinc/07/64/94/336076494.db2.gz HZILDZLWCAONKO-UHFFFAOYSA-N 1 2 293.346 0.934 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(=O)N1 ZINC000386967769 336183129 /nfs/dbraw/zinc/18/31/29/336183129.db2.gz AWKQUAYDKIAXLM-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(=O)N1 ZINC000386967769 336183131 /nfs/dbraw/zinc/18/31/31/336183131.db2.gz AWKQUAYDKIAXLM-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO Cc1cc(NCCNc2ccn(C)n2)c(C#N)c[nH+]1 ZINC000425253192 534031720 /nfs/dbraw/zinc/03/17/20/534031720.db2.gz CIXHYYPQMFNCBX-UHFFFAOYSA-N 1 2 256.313 0.363 20 30 CCEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC(CO)C1)CCC2 ZINC000330054716 534509268 /nfs/dbraw/zinc/50/92/68/534509268.db2.gz SLZRIALBQOKHGY-GFCCVEGCSA-N 1 2 278.356 0.907 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000155828524 522252165 /nfs/dbraw/zinc/25/21/65/522252165.db2.gz VMCHYWVJXZNVRQ-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000155828524 522252172 /nfs/dbraw/zinc/25/21/72/522252172.db2.gz VMCHYWVJXZNVRQ-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO N#CCNC(=O)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000344169511 534684500 /nfs/dbraw/zinc/68/45/00/534684500.db2.gz BNWQLVOYNPASAN-UHFFFAOYSA-N 1 2 297.318 0.301 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnccc2C#N)C1 ZINC000358626730 536435267 /nfs/dbraw/zinc/43/52/67/536435267.db2.gz MTVJKVVYKUPREK-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cnccc2C#N)C1 ZINC000358626730 536435269 /nfs/dbraw/zinc/43/52/69/536435269.db2.gz MTVJKVVYKUPREK-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329076703 526548055 /nfs/dbraw/zinc/54/80/55/526548055.db2.gz QAUOMZBJLCAISF-CHWSQXEVSA-N 1 2 283.372 0.675 20 30 CCEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329076703 526548058 /nfs/dbraw/zinc/54/80/58/526548058.db2.gz QAUOMZBJLCAISF-CHWSQXEVSA-N 1 2 283.372 0.675 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2CO)c1 ZINC000147431592 526729838 /nfs/dbraw/zinc/72/98/38/526729838.db2.gz HPAUOHORVHCVBR-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2CO)c1 ZINC000147431592 526729844 /nfs/dbraw/zinc/72/98/44/526729844.db2.gz HPAUOHORVHCVBR-ZDUSSCGKSA-N 1 2 294.376 0.789 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668759497 545189896 /nfs/dbraw/zinc/18/98/96/545189896.db2.gz YBORFQUZMVVFQM-CYBMUJFWSA-N 1 2 276.340 0.737 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331487800 528024511 /nfs/dbraw/zinc/02/45/11/528024511.db2.gz XZPPIRDIQJZMDL-UHFFFAOYSA-N 1 2 278.400 0.776 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000032539820 528847624 /nfs/dbraw/zinc/84/76/24/528847624.db2.gz NWCZFNOKPOWXHT-CQSZACIVSA-N 1 2 277.372 0.906 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000032539820 528847630 /nfs/dbraw/zinc/84/76/30/528847630.db2.gz NWCZFNOKPOWXHT-CQSZACIVSA-N 1 2 277.372 0.906 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000352619716 529150212 /nfs/dbraw/zinc/15/02/12/529150212.db2.gz WALFNQYDAWBZAP-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000352619716 529150213 /nfs/dbraw/zinc/15/02/13/529150213.db2.gz WALFNQYDAWBZAP-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000677047149 545357162 /nfs/dbraw/zinc/35/71/62/545357162.db2.gz VALQYTOWBGPTCR-HNNXBMFYSA-N 1 2 293.411 0.265 20 30 CCEDLO COCC#CCN1CC[NH+](Cc2ccccn2)CC1 ZINC000677132776 545358114 /nfs/dbraw/zinc/35/81/14/545358114.db2.gz QSEYWEDKASHVFB-UHFFFAOYSA-N 1 2 259.353 0.849 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000677132776 545358115 /nfs/dbraw/zinc/35/81/15/545358115.db2.gz QSEYWEDKASHVFB-UHFFFAOYSA-N 1 2 259.353 0.849 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477800 545366260 /nfs/dbraw/zinc/36/62/60/545366260.db2.gz YESWEIXEWFOPOI-JTQLQIEISA-N 1 2 253.302 0.790 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477800 545366261 /nfs/dbraw/zinc/36/62/61/545366261.db2.gz YESWEIXEWFOPOI-JTQLQIEISA-N 1 2 253.302 0.790 20 30 CCEDLO COCC#CC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000677817624 545373404 /nfs/dbraw/zinc/37/34/04/545373404.db2.gz SCZXNHVDZFYJNC-UHFFFAOYSA-N 1 2 265.357 0.470 20 30 CCEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000677818912 545373685 /nfs/dbraw/zinc/37/36/85/545373685.db2.gz LIKIFSSLZYGUTI-AWEZNQCLSA-N 1 2 258.321 0.721 20 30 CCEDLO COCC#CC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000677818912 545373686 /nfs/dbraw/zinc/37/36/86/545373686.db2.gz LIKIFSSLZYGUTI-AWEZNQCLSA-N 1 2 258.321 0.721 20 30 CCEDLO COCC#CCN1CC[NH+](Cc2cccnc2)CC1 ZINC000678629952 545395783 /nfs/dbraw/zinc/39/57/83/545395783.db2.gz OQAYIPIUISRHTG-UHFFFAOYSA-N 1 2 259.353 0.849 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000678629952 545395784 /nfs/dbraw/zinc/39/57/84/545395784.db2.gz OQAYIPIUISRHTG-UHFFFAOYSA-N 1 2 259.353 0.849 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000679462638 545409683 /nfs/dbraw/zinc/40/96/83/545409683.db2.gz QRKMBMQLNSGUER-LLVKDONJSA-N 1 2 252.318 0.773 20 30 CCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NCCC#N ZINC000789333348 581142230 /nfs/dbraw/zinc/14/22/30/581142230.db2.gz AVONTGCPSMRVGI-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NCCC#N ZINC000789333348 581142236 /nfs/dbraw/zinc/14/22/36/581142236.db2.gz AVONTGCPSMRVGI-UHFFFAOYSA-N 1 2 282.388 0.059 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC000777860344 581137185 /nfs/dbraw/zinc/13/71/85/581137185.db2.gz MVWIMIUQIKBVLR-UHFFFAOYSA-N 1 2 269.308 0.349 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cn(C)nc1OC ZINC000789861866 581159917 /nfs/dbraw/zinc/15/99/17/581159917.db2.gz GHMZCOAACZCINE-NSHDSACASA-N 1 2 262.313 0.465 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cn(C)nc1OC ZINC000789861866 581159918 /nfs/dbraw/zinc/15/99/18/581159918.db2.gz GHMZCOAACZCINE-NSHDSACASA-N 1 2 262.313 0.465 20 30 CCEDLO CN1CCC[C@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000778595746 581160575 /nfs/dbraw/zinc/16/05/75/581160575.db2.gz PGYYCYVKHTVEIO-ZDUSSCGKSA-N 1 2 289.335 0.879 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745080439 581169621 /nfs/dbraw/zinc/16/96/21/581169621.db2.gz ARQUTWFPDNAVQU-WDEREUQCSA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745080439 581169623 /nfs/dbraw/zinc/16/96/23/581169623.db2.gz ARQUTWFPDNAVQU-WDEREUQCSA-N 1 2 297.355 0.414 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(F)c(O)c(F)c2)N1 ZINC000779794267 581205618 /nfs/dbraw/zinc/20/56/18/581205618.db2.gz FRMDNRDPUWMYNB-ZCFIWIBFSA-N 1 2 254.240 0.942 20 30 CCEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000779797095 581206012 /nfs/dbraw/zinc/20/60/12/581206012.db2.gz ACQDAKBRYFDOSR-ZETCQYMHSA-N 1 2 277.284 0.962 20 30 CCEDLO CN1C(=O)CN(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779878987 581212037 /nfs/dbraw/zinc/21/20/37/581212037.db2.gz HWPMETYXUFCBPU-UHFFFAOYSA-N 1 2 250.302 0.464 20 30 CCEDLO C#CCCCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000780322374 581224875 /nfs/dbraw/zinc/22/48/75/581224875.db2.gz PUWYDDWESRLXKT-UHFFFAOYSA-N 1 2 293.411 0.803 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780928520 581250040 /nfs/dbraw/zinc/25/00/40/581250040.db2.gz HQSWSOFWXYEARK-CYBMUJFWSA-N 1 2 270.292 0.642 20 30 CCEDLO C[C@@H](CO)NN=Cc1ccc(C=[NH+]N[C@@H](C)CO)cc1 ZINC000749821568 581307947 /nfs/dbraw/zinc/30/79/47/581307947.db2.gz PZBHDQIZPIGBBO-RYUDHWBXSA-N 1 2 278.356 0.295 20 30 CCEDLO C[C@@H](CC#N)N(C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783975663 581369424 /nfs/dbraw/zinc/36/94/24/581369424.db2.gz CMOUOXYWYDJAJN-RYUDHWBXSA-N 1 2 275.356 0.927 20 30 CCEDLO FC1(C=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000794469557 581371095 /nfs/dbraw/zinc/37/10/95/581371095.db2.gz PEVNXVOLOGDYRD-UHFFFAOYSA-N 1 2 274.365 0.271 20 30 CCEDLO Cn1cnc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000794538729 581375358 /nfs/dbraw/zinc/37/53/58/581375358.db2.gz VRUHKGBEWOESHI-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C#CCOCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000784175900 581375599 /nfs/dbraw/zinc/37/55/99/581375599.db2.gz APRZKCWPIUSVPA-UHFFFAOYSA-N 1 2 286.335 0.826 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCC(c3nc[nH]n3)CC2)CCC1 ZINC000784341947 581380907 /nfs/dbraw/zinc/38/09/07/581380907.db2.gz NGNWACYEUBBNLV-UHFFFAOYSA-N 1 2 288.355 0.547 20 30 CCEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@]2(CCOC2)O1 ZINC000794705984 581384235 /nfs/dbraw/zinc/38/42/35/581384235.db2.gz PHAGONMVIFVNRL-DOMZBBRYSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@]2(CCOC2)O1 ZINC000794705984 581384237 /nfs/dbraw/zinc/38/42/37/581384237.db2.gz PHAGONMVIFVNRL-DOMZBBRYSA-N 1 2 289.335 0.557 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000796602377 581445906 /nfs/dbraw/zinc/44/59/06/581445906.db2.gz SULDYSLGTYPEGJ-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000796602377 581445908 /nfs/dbraw/zinc/44/59/08/581445908.db2.gz SULDYSLGTYPEGJ-UHFFFAOYSA-N 1 2 279.384 0.460 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787257352 581462969 /nfs/dbraw/zinc/46/29/69/581462969.db2.gz PXKGUBKPAISMIG-LLVKDONJSA-N 1 2 297.380 0.163 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000787548645 581472517 /nfs/dbraw/zinc/47/25/17/581472517.db2.gz YPPYEUNJZSTXCJ-QWRGUYRKSA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000787548645 581472518 /nfs/dbraw/zinc/47/25/18/581472518.db2.gz YPPYEUNJZSTXCJ-QWRGUYRKSA-N 1 2 272.295 0.313 20 30 CCEDLO C[C@@H]1CC(=Nn2c(=O)cn[nH]c2=S)C[N@@H+]1C1CC1 ZINC000766483435 581568652 /nfs/dbraw/zinc/56/86/52/581568652.db2.gz WOFDXKPYSFVQJI-SSDOTTSWSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@@H]1CC(=Nn2c(=O)cn[nH]c2=S)C[N@H+]1C1CC1 ZINC000766483435 581568656 /nfs/dbraw/zinc/56/86/56/581568656.db2.gz WOFDXKPYSFVQJI-SSDOTTSWSA-N 1 2 265.342 0.388 20 30 CCEDLO N#CCC[N@@H+](CCC(=O)C1CC1)CCN1CCOCC1 ZINC000767413626 581612214 /nfs/dbraw/zinc/61/22/14/581612214.db2.gz CXHNXAFYDNFLCI-UHFFFAOYSA-N 1 2 279.384 0.903 20 30 CCEDLO N#CCC[N@H+](CCC(=O)C1CC1)CCN1CCOCC1 ZINC000767413626 581612217 /nfs/dbraw/zinc/61/22/17/581612217.db2.gz CXHNXAFYDNFLCI-UHFFFAOYSA-N 1 2 279.384 0.903 20 30 CCEDLO N#CCCN(CCC(=O)C1CC1)CC[NH+]1CCOCC1 ZINC000767413626 581612218 /nfs/dbraw/zinc/61/22/18/581612218.db2.gz CXHNXAFYDNFLCI-UHFFFAOYSA-N 1 2 279.384 0.903 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCCCO ZINC000769227957 581678820 /nfs/dbraw/zinc/67/88/20/581678820.db2.gz QCESYNFTIFGYGV-LBPRGKRZSA-N 1 2 270.398 0.316 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCCCO ZINC000769227957 581678821 /nfs/dbraw/zinc/67/88/21/581678821.db2.gz QCESYNFTIFGYGV-LBPRGKRZSA-N 1 2 270.398 0.316 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000757637495 581704472 /nfs/dbraw/zinc/70/44/72/581704472.db2.gz DJNJISLNEOQCMK-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000757637495 581704475 /nfs/dbraw/zinc/70/44/75/581704475.db2.gz DJNJISLNEOQCMK-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C[C@@H]1C[N@H+](C)CC1=NNc1nc(=O)c2cnn(C)c2[nH]1 ZINC000769809029 581708123 /nfs/dbraw/zinc/70/81/23/581708123.db2.gz REKWLDQQQNFCDO-SSDOTTSWSA-N 1 2 275.316 0.418 20 30 CCEDLO C[C@@H]1C[N@@H+](C)CC1=NNc1nc(=O)c2cnn(C)c2[nH]1 ZINC000769809029 581708126 /nfs/dbraw/zinc/70/81/26/581708126.db2.gz REKWLDQQQNFCDO-SSDOTTSWSA-N 1 2 275.316 0.418 20 30 CCEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758238062 581731484 /nfs/dbraw/zinc/73/14/84/581731484.db2.gz JBXKRTYUKBIMOW-LBPRGKRZSA-N 1 2 275.308 0.705 20 30 CCEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758238062 581731485 /nfs/dbraw/zinc/73/14/85/581731485.db2.gz JBXKRTYUKBIMOW-LBPRGKRZSA-N 1 2 275.308 0.705 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741144733 581733024 /nfs/dbraw/zinc/73/30/24/581733024.db2.gz AUJMHSDVTOJQLP-JTQLQIEISA-N 1 2 283.328 0.026 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741144733 581733026 /nfs/dbraw/zinc/73/30/26/581733026.db2.gz AUJMHSDVTOJQLP-JTQLQIEISA-N 1 2 283.328 0.026 20 30 CCEDLO CCNc1nc(N=NCc2[nH]cc[nH+]2)nc(NCC)n1 ZINC000731149300 581754924 /nfs/dbraw/zinc/75/49/24/581754924.db2.gz STYPARLULNTQAE-UHFFFAOYSA-N 1 2 275.320 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000732055162 581799696 /nfs/dbraw/zinc/79/96/96/581799696.db2.gz ZGCGURPRXFZFLP-ZDUSSCGKSA-N 1 2 296.334 0.903 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000732055162 581799699 /nfs/dbraw/zinc/79/96/99/581799699.db2.gz ZGCGURPRXFZFLP-ZDUSSCGKSA-N 1 2 296.334 0.903 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519809 581802584 /nfs/dbraw/zinc/80/25/84/581802584.db2.gz RTKZUEDPDCBXQG-AWEZNQCLSA-N 1 2 269.308 0.768 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519809 581802587 /nfs/dbraw/zinc/80/25/87/581802587.db2.gz RTKZUEDPDCBXQG-AWEZNQCLSA-N 1 2 269.308 0.768 20 30 CCEDLO COc1cccc(/C=[NH+]/CCc2nnnn2C)c1O ZINC000771520225 581806092 /nfs/dbraw/zinc/80/60/92/581806092.db2.gz LLJDNTNQCKTXDH-MDWZMJQESA-N 1 2 261.285 0.586 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(COC)C1=O)C1CC1 ZINC000771643245 581814681 /nfs/dbraw/zinc/81/46/81/581814681.db2.gz YRQOGNIPMSOVRJ-ZDUSSCGKSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(COC)C1=O)C1CC1 ZINC000771643245 581814683 /nfs/dbraw/zinc/81/46/83/581814683.db2.gz YRQOGNIPMSOVRJ-ZDUSSCGKSA-N 1 2 267.329 0.551 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCC[NH+]1CCOCC1 ZINC000759718169 581817548 /nfs/dbraw/zinc/81/75/48/581817548.db2.gz SZOPLQXQMCXFPQ-UHFFFAOYSA-N 1 2 270.358 0.594 20 30 CCEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000760842673 581875495 /nfs/dbraw/zinc/87/54/95/581875495.db2.gz DBBIEGMBVMSLNK-CQSZACIVSA-N 1 2 263.385 0.638 20 30 CCEDLO COc1ccc(C(N)=[NH+]OCc2cn(C)nn2)cc1 ZINC000761310671 581904552 /nfs/dbraw/zinc/90/45/52/581904552.db2.gz ITFVNJUQWRMRIX-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO N#C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C1CC1 ZINC000746246788 581904769 /nfs/dbraw/zinc/90/47/69/581904769.db2.gz HGFUMVOCGOZTDC-LBPRGKRZSA-N 1 2 259.313 0.082 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000746303767 581908831 /nfs/dbraw/zinc/90/88/31/581908831.db2.gz VJYJKPJNJCPDLF-UWVGGRQHSA-N 1 2 266.370 0.782 20 30 CCEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773978775 581951031 /nfs/dbraw/zinc/95/10/31/581951031.db2.gz VUAKDORRGBXCAS-QWRGUYRKSA-N 1 2 283.397 0.657 20 30 CCEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773978775 581951033 /nfs/dbraw/zinc/95/10/33/581951033.db2.gz VUAKDORRGBXCAS-QWRGUYRKSA-N 1 2 283.397 0.657 20 30 CCEDLO c1c[nH+]c(CN=Nc2nccc(N3CCOCC3)n2)[nH]1 ZINC000762603145 581953473 /nfs/dbraw/zinc/95/34/73/581953473.db2.gz KWWWCQSQTCHKDK-UHFFFAOYSA-N 1 2 273.300 0.482 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000747835877 581954524 /nfs/dbraw/zinc/95/45/24/581954524.db2.gz GSQHHHJLHJPRDM-SNVBAGLBSA-N 1 2 255.318 0.295 20 30 CCEDLO Cc1ccc(CCC=NNCCS(C)(=O)=O)c[nH+]1 ZINC000774385074 581972106 /nfs/dbraw/zinc/97/21/06/581972106.db2.gz LKZGYQMDIHTZNJ-UHFFFAOYSA-N 1 2 269.370 0.943 20 30 CCEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000749808566 582023510 /nfs/dbraw/zinc/02/35/10/582023510.db2.gz FOMBKGVMDZAQII-HXUWFJFHSA-N 1 2 293.392 0.886 20 30 CCEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000749808566 582023512 /nfs/dbraw/zinc/02/35/12/582023512.db2.gz FOMBKGVMDZAQII-HXUWFJFHSA-N 1 2 293.392 0.886 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000775467398 582025300 /nfs/dbraw/zinc/02/53/00/582025300.db2.gz KBLINSKGYLSMRL-UHFFFAOYSA-N 1 2 296.396 0.356 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000775550114 582028967 /nfs/dbraw/zinc/02/89/67/582028967.db2.gz XUANWBRGLOQIGM-ZDUSSCGKSA-N 1 2 294.376 0.111 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000776001321 582048606 /nfs/dbraw/zinc/04/86/06/582048606.db2.gz IIJWVBVPZPPEHA-GFCCVEGCSA-N 1 2 268.361 0.172 20 30 CCEDLO Nc1[nH+]cccc1C=NNC(=S)NC[C@H]1CCCO1 ZINC000764666926 582062183 /nfs/dbraw/zinc/06/21/83/582062183.db2.gz VKYPVXIRUSRGBK-SNVBAGLBSA-N 1 2 279.369 0.641 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@@H+]2CCO[C@H](C)C2)c1O ZINC000750949492 582065879 /nfs/dbraw/zinc/06/58/79/582065879.db2.gz FIZLTMGUWQUQJQ-OUZNOSRWSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@H+]2CCO[C@H](C)C2)c1O ZINC000750949492 582065880 /nfs/dbraw/zinc/06/58/80/582065880.db2.gz FIZLTMGUWQUQJQ-OUZNOSRWSA-N 1 2 293.367 0.728 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000853800380 612981702 /nfs/dbraw/zinc/98/17/02/612981702.db2.gz UDTZBWSEAWUPAL-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000853800380 612981704 /nfs/dbraw/zinc/98/17/04/612981704.db2.gz UDTZBWSEAWUPAL-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000896798301 613010309 /nfs/dbraw/zinc/01/03/09/613010309.db2.gz PASXODXJWPRUHS-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899967937 613010173 /nfs/dbraw/zinc/01/01/73/613010173.db2.gz ATPCULQOMJHYNC-ZDUSSCGKSA-N 1 2 282.409 0.676 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892077061 617178023 /nfs/dbraw/zinc/17/80/23/617178023.db2.gz MEMOBDBCRHVTOZ-JTQLQIEISA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892077061 617178024 /nfs/dbraw/zinc/17/80/24/617178024.db2.gz MEMOBDBCRHVTOZ-JTQLQIEISA-N 1 2 285.394 0.743 20 30 CCEDLO C#CCSCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840305091 613016567 /nfs/dbraw/zinc/01/65/67/613016567.db2.gz QBZPHZVYXSVKEX-UHFFFAOYSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858154942 613021353 /nfs/dbraw/zinc/02/13/53/613021353.db2.gz WNOKISXYUNBKJS-OLZOCXBDSA-N 1 2 278.356 0.999 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000895384359 612952541 /nfs/dbraw/zinc/95/25/41/612952541.db2.gz LCLNFTXTRXSSPL-UHFFFAOYSA-N 1 2 291.351 0.557 20 30 CCEDLO C#C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882133272 613082418 /nfs/dbraw/zinc/08/24/18/613082418.db2.gz LHSWULOYPJWWMN-LLVKDONJSA-N 1 2 278.377 0.975 20 30 CCEDLO C#C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882133272 613082420 /nfs/dbraw/zinc/08/24/20/613082420.db2.gz LHSWULOYPJWWMN-LLVKDONJSA-N 1 2 278.377 0.975 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826396082 609374557 /nfs/dbraw/zinc/37/45/57/609374557.db2.gz FYYKOXCITGDZHQ-UHFFFAOYSA-N 1 2 281.283 0.685 20 30 CCEDLO C#CC[N@@H+](CCC[C@H]1CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000876624588 613107765 /nfs/dbraw/zinc/10/77/65/613107765.db2.gz GSMMPLGSBQGOJF-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CCC[C@H]1CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000876624588 613107767 /nfs/dbraw/zinc/10/77/67/613107767.db2.gz GSMMPLGSBQGOJF-STQMWFEESA-N 1 2 271.382 0.678 20 30 CCEDLO C=CCC[N@H+]1CCCN(C(=O)CS(C)(=O)=O)CC1 ZINC000980794434 613492726 /nfs/dbraw/zinc/49/27/26/613492726.db2.gz ZMRWWXAMWSGUQB-UHFFFAOYSA-N 1 2 274.386 0.141 20 30 CCEDLO C=CCC[N@@H+]1CCCN(C(=O)CS(C)(=O)=O)CC1 ZINC000980794434 613492729 /nfs/dbraw/zinc/49/27/29/613492729.db2.gz ZMRWWXAMWSGUQB-UHFFFAOYSA-N 1 2 274.386 0.141 20 30 CCEDLO COc1ccc(-c2nc(CO[NH+]=C(N)CCO)no2)cc1 ZINC000121362971 617220070 /nfs/dbraw/zinc/22/00/70/617220070.db2.gz CPIGTGHZRPKLIB-UHFFFAOYSA-N 1 2 292.295 0.916 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000931146779 612953062 /nfs/dbraw/zinc/95/30/62/612953062.db2.gz RGQYMAQCCPMQLL-LLVKDONJSA-N 1 2 274.324 0.264 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000807164830 612967495 /nfs/dbraw/zinc/96/74/95/612967495.db2.gz ADRYRXJGLYLYCS-ZDUSSCGKSA-N 1 2 287.319 0.273 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000807164830 612967497 /nfs/dbraw/zinc/96/74/97/612967497.db2.gz ADRYRXJGLYLYCS-ZDUSSCGKSA-N 1 2 287.319 0.273 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000882522763 612972498 /nfs/dbraw/zinc/97/24/98/612972498.db2.gz CHFPMKNRXIWHMM-CYBMUJFWSA-N 1 2 287.363 0.822 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000880481484 612974059 /nfs/dbraw/zinc/97/40/59/612974059.db2.gz VDDFBAVDCOCUOJ-OAHLLOKOSA-N 1 2 297.358 0.935 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000880483423 612974175 /nfs/dbraw/zinc/97/41/75/612974175.db2.gz CDSXJYVZESWTFT-LLVKDONJSA-N 1 2 275.356 0.919 20 30 CCEDLO C#CCOCCC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766081 612980034 /nfs/dbraw/zinc/98/00/34/612980034.db2.gz JKTVOVQDYONRCT-UHFFFAOYSA-N 1 2 281.381 0.861 20 30 CCEDLO C#CCOCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931359319 612983378 /nfs/dbraw/zinc/98/33/78/612983378.db2.gz MIEOQHPRBFGGCU-UHFFFAOYSA-N 1 2 265.382 0.911 20 30 CCEDLO C#CCONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000812785404 612991899 /nfs/dbraw/zinc/99/18/99/612991899.db2.gz OOFJSJQBHIKMKB-UHFFFAOYSA-N 1 2 276.340 0.313 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnnc2)C1 ZINC000952345027 612992433 /nfs/dbraw/zinc/99/24/33/612992433.db2.gz YQUMMGFUSLEZFN-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000830786682 612993701 /nfs/dbraw/zinc/99/37/01/612993701.db2.gz AAGVLJZGYYOKBN-STQMWFEESA-N 1 2 268.357 0.204 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842965837 613004695 /nfs/dbraw/zinc/00/46/95/613004695.db2.gz HUGLPBLOCZEGTM-MCIONIFRSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CCO[C@H](C)C(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842965837 613004697 /nfs/dbraw/zinc/00/46/97/613004697.db2.gz HUGLPBLOCZEGTM-MCIONIFRSA-N 1 2 299.367 0.304 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000858373351 613021430 /nfs/dbraw/zinc/02/14/30/613021430.db2.gz CQNKESCIKLOPDR-QWHCGFSZSA-N 1 2 290.367 0.926 20 30 CCEDLO C#CCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859599445 613030940 /nfs/dbraw/zinc/03/09/40/613030940.db2.gz KSRSZXHYHPHBNO-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859599445 613030942 /nfs/dbraw/zinc/03/09/42/613030942.db2.gz KSRSZXHYHPHBNO-QWRGUYRKSA-N 1 2 253.298 0.436 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000863799064 613036994 /nfs/dbraw/zinc/03/69/94/613036994.db2.gz VPNYGBFYDHLYJM-NEPJUHHUSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)OC ZINC000848220977 613039728 /nfs/dbraw/zinc/03/97/28/613039728.db2.gz OHGZPRZNXFRCGU-SNVBAGLBSA-N 1 2 252.314 0.009 20 30 CCEDLO C#CC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)OC ZINC000846255146 613040347 /nfs/dbraw/zinc/04/03/47/613040347.db2.gz UCLHDXYVWQKNHX-GFCCVEGCSA-N 1 2 289.335 0.443 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000798385717 613060823 /nfs/dbraw/zinc/06/08/23/613060823.db2.gz XMJOFMYKWFWWSY-ZDUSSCGKSA-N 1 2 278.356 0.737 20 30 CCEDLO C#CCN(C(=O)CCc1c[nH+]cn1C)C1CSC1 ZINC000912365782 613065614 /nfs/dbraw/zinc/06/56/14/613065614.db2.gz YNKGEKPSESCXNF-UHFFFAOYSA-N 1 2 263.366 0.930 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1cnc(C(=O)OC)cn1)[C@@H]1CCCO1 ZINC000859258458 613099953 /nfs/dbraw/zinc/09/99/53/613099953.db2.gz OIWXJRLSLZVMSQ-YPMHNXCESA-N 1 2 275.308 0.534 20 30 CCEDLO C#CC[N@@H+](CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108865992 613107581 /nfs/dbraw/zinc/10/75/81/613107581.db2.gz DNTLYZSQELEZCR-AWEZNQCLSA-N 1 2 295.408 0.475 20 30 CCEDLO C#CC[N@H+](CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108865992 613107583 /nfs/dbraw/zinc/10/75/83/613107583.db2.gz DNTLYZSQELEZCR-AWEZNQCLSA-N 1 2 295.408 0.475 20 30 CCEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000862229240 613109242 /nfs/dbraw/zinc/10/92/42/613109242.db2.gz BDNYUCNIRZJAOP-LBPRGKRZSA-N 1 2 281.381 0.649 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925605246 613110514 /nfs/dbraw/zinc/11/05/14/613110514.db2.gz DNQKLUDQFBTPOP-ZIAGYGMSSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC3CC3)CC2)C1 ZINC000941275187 613114707 /nfs/dbraw/zinc/11/47/07/613114707.db2.gz VPZVAHSWBCEDMB-UHFFFAOYSA-N 1 2 261.369 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000941646837 613114785 /nfs/dbraw/zinc/11/47/85/613114785.db2.gz NEAOGNZZVXEQQP-UHFFFAOYSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC000941575395 613115270 /nfs/dbraw/zinc/11/52/70/613115270.db2.gz KZJOXIDDIUAMFG-UKRRQHHQSA-N 1 2 275.396 0.494 20 30 CCEDLO C#C[C@H](CC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000854077804 613120750 /nfs/dbraw/zinc/12/07/50/613120750.db2.gz BPGKSIGGNYWORV-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000847757895 613146869 /nfs/dbraw/zinc/14/68/69/613146869.db2.gz GARQSCOVXFRXIM-WXHSDQCUSA-N 1 2 261.325 0.885 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000847757895 613146871 /nfs/dbraw/zinc/14/68/71/613146871.db2.gz GARQSCOVXFRXIM-WXHSDQCUSA-N 1 2 261.325 0.885 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(OC)n2)CC1 ZINC000981697817 613159884 /nfs/dbraw/zinc/15/98/84/613159884.db2.gz WOOXSJDRGMTNMW-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(OC)n2)CC1 ZINC000981697817 613159885 /nfs/dbraw/zinc/15/98/85/613159885.db2.gz WOOXSJDRGMTNMW-UHFFFAOYSA-N 1 2 263.297 0.464 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@@H](C)O)C2)cn1 ZINC000957290024 613167003 /nfs/dbraw/zinc/16/70/03/613167003.db2.gz KKKMXPYUFVMMQC-GFCCVEGCSA-N 1 2 287.363 0.590 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCCOC)C1 ZINC000885511110 613176111 /nfs/dbraw/zinc/17/61/11/613176111.db2.gz CDLMMDIEZNFVAY-CYBMUJFWSA-N 1 2 288.413 0.430 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCOC)C1 ZINC000885511110 613176112 /nfs/dbraw/zinc/17/61/12/613176112.db2.gz CDLMMDIEZNFVAY-CYBMUJFWSA-N 1 2 288.413 0.430 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000836866137 613178720 /nfs/dbraw/zinc/17/87/20/613178720.db2.gz KLZGEYRLNHAUAB-OKILXGFUSA-N 1 2 285.347 0.656 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000836866137 613178722 /nfs/dbraw/zinc/17/87/22/613178722.db2.gz KLZGEYRLNHAUAB-OKILXGFUSA-N 1 2 285.347 0.656 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)OC)C1 ZINC000885508803 613192856 /nfs/dbraw/zinc/19/28/56/613192856.db2.gz LPMGLCPHTVESHU-LBPRGKRZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)OC)C1 ZINC000885508803 613192858 /nfs/dbraw/zinc/19/28/58/613192858.db2.gz LPMGLCPHTVESHU-LBPRGKRZSA-N 1 2 288.413 0.428 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCOCC)C1 ZINC000885512562 613193055 /nfs/dbraw/zinc/19/30/55/613193055.db2.gz WWBVPWYIZMJHAO-LBPRGKRZSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCOCC)C1 ZINC000885512562 613193057 /nfs/dbraw/zinc/19/30/57/613193057.db2.gz WWBVPWYIZMJHAO-LBPRGKRZSA-N 1 2 274.386 0.040 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000870606848 613194193 /nfs/dbraw/zinc/19/41/93/613194193.db2.gz IDZPCNAYSAGTQK-KGLIPLIRSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000870606848 613194195 /nfs/dbraw/zinc/19/41/95/613194195.db2.gz IDZPCNAYSAGTQK-KGLIPLIRSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2cncc21 ZINC000857985564 613202819 /nfs/dbraw/zinc/20/28/19/613202819.db2.gz IHPVQHGCYILUNO-RYUDHWBXSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2cncc21 ZINC000857985564 613202821 /nfs/dbraw/zinc/20/28/21/613202821.db2.gz IHPVQHGCYILUNO-RYUDHWBXSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000855326703 613203073 /nfs/dbraw/zinc/20/30/73/613203073.db2.gz RCIUQGOZNJKXJE-SRVKXCTJSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000855326703 613203075 /nfs/dbraw/zinc/20/30/75/613203075.db2.gz RCIUQGOZNJKXJE-SRVKXCTJSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CO)cc(CO)c1 ZINC000898805771 613203607 /nfs/dbraw/zinc/20/36/07/613203607.db2.gz OFAPCZIRTJZKSV-HNNXBMFYSA-N 1 2 288.347 0.707 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CO)cc(CO)c1 ZINC000898805771 613203608 /nfs/dbraw/zinc/20/36/08/613203608.db2.gz OFAPCZIRTJZKSV-HNNXBMFYSA-N 1 2 288.347 0.707 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)/C=C/COC2CCOCC2)CC1 ZINC000865795224 613204207 /nfs/dbraw/zinc/20/42/07/613204207.db2.gz MFYRLWQYPMYKIJ-ONEGZZNKSA-N 1 2 292.379 0.516 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)OC[C@@H]2C)CC1 ZINC000844389456 613205390 /nfs/dbraw/zinc/20/53/90/613205390.db2.gz JKQVGJIVDWZIOV-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)OC[C@@H]2C)CC1 ZINC000844389456 613205392 /nfs/dbraw/zinc/20/53/92/613205392.db2.gz JKQVGJIVDWZIOV-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN(Cn2cc(C(=O)OCC)cn2)CC1 ZINC000132417579 613209351 /nfs/dbraw/zinc/20/93/51/613209351.db2.gz ARAJVUGIMMRXHD-UHFFFAOYSA-N 1 2 276.340 0.268 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@H]3CCCCN3C2=O)CC1 ZINC000872557901 613209433 /nfs/dbraw/zinc/20/94/33/613209433.db2.gz QSZVPIDKJLECIZ-CQSZACIVSA-N 1 2 276.384 0.485 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC)n2CC(C)C)CC1 ZINC000802671255 613209670 /nfs/dbraw/zinc/20/96/70/613209670.db2.gz RAOWVGISMFBBSM-UHFFFAOYSA-N 1 2 291.399 0.836 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC000949314431 613210096 /nfs/dbraw/zinc/21/00/96/613210096.db2.gz SWWRTZQAYBUTGP-ZDUSSCGKSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC000949314431 613210098 /nfs/dbraw/zinc/21/00/98/613210098.db2.gz SWWRTZQAYBUTGP-ZDUSSCGKSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972307201 613211098 /nfs/dbraw/zinc/21/10/98/613211098.db2.gz CDSRJJPMMBPEJO-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972307201 613211100 /nfs/dbraw/zinc/21/11/00/613211100.db2.gz CDSRJJPMMBPEJO-HOCLYGCPSA-N 1 2 292.379 0.350 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000806858364 613212052 /nfs/dbraw/zinc/21/20/52/613212052.db2.gz LROQKTFVDMSTPY-UHFFFAOYSA-N 1 2 252.277 0.957 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972510953 613212421 /nfs/dbraw/zinc/21/24/21/613212421.db2.gz QYYZYMVVZUYZFZ-DZGCQCFKSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972510953 613212422 /nfs/dbraw/zinc/21/24/22/613212422.db2.gz QYYZYMVVZUYZFZ-DZGCQCFKSA-N 1 2 282.359 0.917 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542724 613212451 /nfs/dbraw/zinc/21/24/51/613212451.db2.gz CDWYDDZDIJDZBG-OAHLLOKOSA-N 1 2 280.343 0.673 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542724 613212452 /nfs/dbraw/zinc/21/24/52/613212452.db2.gz CDWYDDZDIJDZBG-OAHLLOKOSA-N 1 2 280.343 0.673 20 30 CCEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308882 613249321 /nfs/dbraw/zinc/24/93/21/613249321.db2.gz DVPOGMAPRWDYBK-JSGCOSHPSA-N 1 2 287.363 0.459 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC000967308882 613249323 /nfs/dbraw/zinc/24/93/23/613249323.db2.gz DVPOGMAPRWDYBK-JSGCOSHPSA-N 1 2 287.363 0.459 20 30 CCEDLO C/C(=C\C(=O)N1CC[C@@](F)(C#N)C1)C[NH+]1CCOCC1 ZINC000907636484 613252981 /nfs/dbraw/zinc/25/29/81/613252981.db2.gz QZFQZYPWTYNBAZ-CEFACKQISA-N 1 2 281.331 0.729 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000974826466 613281423 /nfs/dbraw/zinc/28/14/23/613281423.db2.gz JNMYWRJRSIFSNK-CYBMUJFWSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000974826466 613281425 /nfs/dbraw/zinc/28/14/25/613281425.db2.gz JNMYWRJRSIFSNK-CYBMUJFWSA-N 1 2 274.368 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977594570 613297068 /nfs/dbraw/zinc/29/70/68/613297068.db2.gz KMBYEQVXZSEAHW-ZDUSSCGKSA-N 1 2 263.385 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000977594570 613297070 /nfs/dbraw/zinc/29/70/70/613297070.db2.gz KMBYEQVXZSEAHW-ZDUSSCGKSA-N 1 2 263.385 0.542 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC000950442031 613319981 /nfs/dbraw/zinc/31/99/81/613319981.db2.gz ZLTVVKBRZMBYOF-UHFFFAOYSA-N 1 2 277.324 0.712 20 30 CCEDLO C#CCNc1nc(N2C[C@@H]3C[C@@H]3C2)nc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884589681 613322522 /nfs/dbraw/zinc/32/25/22/613322522.db2.gz GULCTBQNUVOLFS-MPZDIEGVSA-N 1 2 296.378 0.251 20 30 CCEDLO C#CCNc1nc(N2C[C@@H]3C[C@@H]3C2)[nH+]c(N2C[C@@H]3C[C@@H]3C2)n1 ZINC000884589681 613322526 /nfs/dbraw/zinc/32/25/26/613322526.db2.gz GULCTBQNUVOLFS-MPZDIEGVSA-N 1 2 296.378 0.251 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000815050555 613324860 /nfs/dbraw/zinc/32/48/60/613324860.db2.gz AMFZCFFWMYASBC-GFCCVEGCSA-N 1 2 262.309 0.792 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000815050555 613324862 /nfs/dbraw/zinc/32/48/62/613324862.db2.gz AMFZCFFWMYASBC-GFCCVEGCSA-N 1 2 262.309 0.792 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000799183099 613328543 /nfs/dbraw/zinc/32/85/43/613328543.db2.gz BINDZWJUYICSAR-CYBMUJFWSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000799183099 613328545 /nfs/dbraw/zinc/32/85/45/613328545.db2.gz BINDZWJUYICSAR-CYBMUJFWSA-N 1 2 260.341 0.697 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886719613 613328720 /nfs/dbraw/zinc/32/87/20/613328720.db2.gz ASYIJOFWVMSTNT-UHFFFAOYSA-N 1 2 266.341 0.399 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932822305 613328811 /nfs/dbraw/zinc/32/88/11/613328811.db2.gz SBHNPTJNUJGJEX-UHFFFAOYSA-N 1 2 278.274 0.373 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922737905 613354400 /nfs/dbraw/zinc/35/44/00/613354400.db2.gz VJFGFAUGQVJIJF-SCOBNMCVSA-N 1 2 268.357 0.318 20 30 CCEDLO C=C(CC)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000822013351 613363348 /nfs/dbraw/zinc/36/33/48/613363348.db2.gz ZDVCBLGRUCEJLH-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599017 613372560 /nfs/dbraw/zinc/37/25/60/613372560.db2.gz JPROAEXGRZDXQK-VIFPVBQESA-N 1 2 283.763 0.618 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnon2)C1 ZINC000970620936 613372562 /nfs/dbraw/zinc/37/25/62/613372562.db2.gz YSJGCADRXQEWCX-QMMMGPOBSA-N 1 2 270.720 0.872 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC000969901286 613372564 /nfs/dbraw/zinc/37/25/64/613372564.db2.gz DNCNLKXBXRKVTR-VIFPVBQESA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974592755 613379838 /nfs/dbraw/zinc/37/98/38/613379838.db2.gz MOBODLDARLUTGK-SNVBAGLBSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974592755 613379839 /nfs/dbraw/zinc/37/98/39/613379839.db2.gz MOBODLDARLUTGK-SNVBAGLBSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000957960021 613380966 /nfs/dbraw/zinc/38/09/66/613380966.db2.gz AUNXPEMDRVOUFZ-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000957960021 613380967 /nfs/dbraw/zinc/38/09/67/613380967.db2.gz AUNXPEMDRVOUFZ-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931631738 613396221 /nfs/dbraw/zinc/39/62/21/613396221.db2.gz JKKYWKZCDUBHOD-QWRGUYRKSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931631738 613396224 /nfs/dbraw/zinc/39/62/24/613396224.db2.gz JKKYWKZCDUBHOD-QWRGUYRKSA-N 1 2 273.329 0.160 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000879034859 613399013 /nfs/dbraw/zinc/39/90/13/613399013.db2.gz LXNXCXWEQIVAAX-GXFFZTMASA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000879034859 613399016 /nfs/dbraw/zinc/39/90/16/613399016.db2.gz LXNXCXWEQIVAAX-GXFFZTMASA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@@H]1CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000890558018 613408805 /nfs/dbraw/zinc/40/88/05/613408805.db2.gz LAXZOSCKEZPHAM-CHWSQXEVSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CC[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)OC ZINC000878711344 613419676 /nfs/dbraw/zinc/41/96/76/613419676.db2.gz KBKZFXQSRDWHFG-SRVKXCTJSA-N 1 2 257.330 0.481 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000898504275 613431129 /nfs/dbraw/zinc/43/11/29/613431129.db2.gz PLNQNCVAULTFEE-NSHDSACASA-N 1 2 281.335 0.628 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)nn1 ZINC000898504275 613431133 /nfs/dbraw/zinc/43/11/33/613431133.db2.gz PLNQNCVAULTFEE-NSHDSACASA-N 1 2 281.335 0.628 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000878255408 613445217 /nfs/dbraw/zinc/44/52/17/613445217.db2.gz HXUCOPYDVAZJMX-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000878255408 613445220 /nfs/dbraw/zinc/44/52/20/613445220.db2.gz HXUCOPYDVAZJMX-UHFFFAOYSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913459595 613463578 /nfs/dbraw/zinc/46/35/78/613463578.db2.gz GFMKSFUWQAUTOT-RDBSUJKOSA-N 1 2 290.367 0.484 20 30 CCEDLO C=CCCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000928320458 613470697 /nfs/dbraw/zinc/47/06/97/613470697.db2.gz SYUFGSDPEIUSHT-SNVBAGLBSA-N 1 2 265.313 0.966 20 30 CCEDLO C=CCCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000928320456 613473494 /nfs/dbraw/zinc/47/34/94/613473494.db2.gz SYUFGSDPEIUSHT-JTQLQIEISA-N 1 2 265.313 0.966 20 30 CCEDLO C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000934321973 613488491 /nfs/dbraw/zinc/48/84/91/613488491.db2.gz WEACNAOEVHBFSX-ZIAGYGMSSA-N 1 2 284.400 0.740 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC000941361414 613529224 /nfs/dbraw/zinc/52/92/24/613529224.db2.gz ZQGLPFVLOVKUIT-SREVYHEPSA-N 1 2 287.407 0.804 20 30 CCEDLO CC#CCN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957337295 613561153 /nfs/dbraw/zinc/56/11/53/613561153.db2.gz SPLFOZGBVOHWPC-UHFFFAOYSA-N 1 2 274.368 0.855 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccccc2C(N)=O)CC1 ZINC000949597228 613563887 /nfs/dbraw/zinc/56/38/87/613563887.db2.gz OWJIXQZCIFPNBQ-UHFFFAOYSA-N 1 2 299.374 0.496 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972218652 613570940 /nfs/dbraw/zinc/57/09/40/613570940.db2.gz NVXHYSQWBRPRKI-CQSZACIVSA-N 1 2 286.322 0.968 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972218652 613570941 /nfs/dbraw/zinc/57/09/41/613570941.db2.gz NVXHYSQWBRPRKI-CQSZACIVSA-N 1 2 286.322 0.968 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972248857 613571224 /nfs/dbraw/zinc/57/12/24/613571224.db2.gz SHEKYTRFHYQKAT-CQSZACIVSA-N 1 2 282.409 0.676 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000972248857 613571225 /nfs/dbraw/zinc/57/12/25/613571225.db2.gz SHEKYTRFHYQKAT-CQSZACIVSA-N 1 2 282.409 0.676 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cn(CC)nn2)nn1 ZINC000900629712 613645332 /nfs/dbraw/zinc/64/53/32/613645332.db2.gz XFZQGWNNXHXSPO-UHFFFAOYSA-N 1 2 259.317 0.051 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H](C(=O)OC)CC1=O)[C@H](C)COC ZINC000853534632 613651171 /nfs/dbraw/zinc/65/11/71/613651171.db2.gz LCNLSFWNPSLYFK-NEPJUHHUSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H](C(=O)OC)CC1=O)[C@H](C)COC ZINC000853534632 613651172 /nfs/dbraw/zinc/65/11/72/613651172.db2.gz LCNLSFWNPSLYFK-NEPJUHHUSA-N 1 2 284.356 0.488 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000950577935 613654696 /nfs/dbraw/zinc/65/46/96/613654696.db2.gz QSLSRIKLQZTHKA-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000950697588 613654833 /nfs/dbraw/zinc/65/48/33/613654833.db2.gz VIBUZHNIPPYCLI-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cn(C)c(=O)n2C)C1 ZINC000957431759 613658494 /nfs/dbraw/zinc/65/84/94/613658494.db2.gz AVOZHRNSGUEWLK-UHFFFAOYSA-N 1 2 278.356 0.056 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC000950829789 613658566 /nfs/dbraw/zinc/65/85/66/613658566.db2.gz IHLDYAZLIUTHPK-UHFFFAOYSA-N 1 2 286.339 0.685 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000949350950 613707337 /nfs/dbraw/zinc/70/73/37/613707337.db2.gz YDSGHXNWTRMNEP-OLZOCXBDSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000957393723 613710956 /nfs/dbraw/zinc/71/09/56/613710956.db2.gz ZEYKRDKNWSIVRC-ZDUSSCGKSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000949173287 613711177 /nfs/dbraw/zinc/71/11/77/613711177.db2.gz FEZCZADOXXWECM-CQSZACIVSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000957727438 613711267 /nfs/dbraw/zinc/71/12/67/613711267.db2.gz KAQXXPKOHNTUCL-GFCCVEGCSA-N 1 2 274.368 0.845 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000950582034 613711948 /nfs/dbraw/zinc/71/19/48/613711948.db2.gz WRQFQBOCKYSWCS-CHWSQXEVSA-N 1 2 274.368 0.854 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnsn3)C2)C1 ZINC000972270254 613727266 /nfs/dbraw/zinc/72/72/66/613727266.db2.gz BNDBEBMGJLSOTC-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnsn3)C2)C1 ZINC000972270254 613727269 /nfs/dbraw/zinc/72/72/69/613727269.db2.gz BNDBEBMGJLSOTC-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321451 613767120 /nfs/dbraw/zinc/76/71/20/613767120.db2.gz CCOLSASDGMMTPO-JQWIXIFHSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000966321451 613767122 /nfs/dbraw/zinc/76/71/22/613767122.db2.gz CCOLSASDGMMTPO-JQWIXIFHSA-N 1 2 286.397 0.044 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000884327147 613877492 /nfs/dbraw/zinc/87/74/92/613877492.db2.gz LATKOONWIWJJBC-GRYCIOLGSA-N 1 2 284.356 0.052 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CCO)CC1 ZINC000884387630 613877715 /nfs/dbraw/zinc/87/77/15/613877715.db2.gz ZHBQXBUCFLQZMY-LBPRGKRZSA-N 1 2 284.356 0.054 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000884251965 613877767 /nfs/dbraw/zinc/87/77/67/613877767.db2.gz XSKHWZRIIXLXLC-VWYCJHECSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000884087523 613877953 /nfs/dbraw/zinc/87/79/53/613877953.db2.gz GGKKCZQEXUEGLP-MXWKQRLJSA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC000884053404 613877965 /nfs/dbraw/zinc/87/79/65/613877965.db2.gz VPPKWTJJUXHTCB-WOPDTQHZSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOC1CCCCC1 ZINC000884100176 613878150 /nfs/dbraw/zinc/87/81/50/613878150.db2.gz LTGTXOVKIXPGNG-ZDUSSCGKSA-N 1 2 298.383 0.899 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[C@@H]1CCCCO1 ZINC000884320105 613878247 /nfs/dbraw/zinc/87/82/47/613878247.db2.gz KSRJUBOAKYZKAU-STQMWFEESA-N 1 2 298.383 0.899 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000884439954 613878503 /nfs/dbraw/zinc/87/85/03/613878503.db2.gz UWBWMHCXOSZAFY-SRVKXCTJSA-N 1 2 282.340 0.117 20 30 CCEDLO C=CCOCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928638283 613879501 /nfs/dbraw/zinc/87/95/01/613879501.db2.gz GEXVEODGKXRFLG-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898887537 613879861 /nfs/dbraw/zinc/87/98/61/613879861.db2.gz LOTIGGKEYUUKQW-LLVKDONJSA-N 1 2 267.329 0.553 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875474363 613880901 /nfs/dbraw/zinc/88/09/01/613880901.db2.gz UVDXAYKRRMAUEO-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875474363 613880902 /nfs/dbraw/zinc/88/09/02/613880902.db2.gz UVDXAYKRRMAUEO-CYBMUJFWSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCONC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000838707352 613884299 /nfs/dbraw/zinc/88/42/99/613884299.db2.gz IREUDUWNGOXLBT-GHMZBOCLSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000850244667 613885876 /nfs/dbraw/zinc/88/58/76/613885876.db2.gz ZNZNSNLFBADWFE-UHFFFAOYSA-N 1 2 284.385 0.694 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]CCC(N)=O)C1 ZINC000819230211 613981026 /nfs/dbraw/zinc/98/10/26/613981026.db2.gz SDTNFPVONCUNFH-ZJUUUORDSA-N 1 2 282.344 0.210 20 30 CCEDLO CC(C)N(C(=O)CO[NH+]=C(N)CCO)C1CCCC1 ZINC000121425496 614247057 /nfs/dbraw/zinc/24/70/57/614247057.db2.gz IMHBBMCHVQUXGO-UHFFFAOYSA-N 1 2 271.361 0.837 20 30 CCEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC000950642110 614683638 /nfs/dbraw/zinc/68/36/38/614683638.db2.gz LEQPEQZTWYSAGB-LBPRGKRZSA-N 1 2 287.367 0.502 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933902043 615061456 /nfs/dbraw/zinc/06/14/56/615061456.db2.gz GPDNMZSFJHEIQL-STQMWFEESA-N 1 2 295.383 0.832 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933902043 615061457 /nfs/dbraw/zinc/06/14/57/615061457.db2.gz GPDNMZSFJHEIQL-STQMWFEESA-N 1 2 295.383 0.832 20 30 CCEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000878816235 615229814 /nfs/dbraw/zinc/22/98/14/615229814.db2.gz DOWTWVCWZKNGFU-NWDGAFQWSA-N 1 2 296.371 0.567 20 30 CCEDLO CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654890 615237824 /nfs/dbraw/zinc/23/78/24/615237824.db2.gz YHDPVCDTFJPEJH-GFCCVEGCSA-N 1 2 277.324 0.953 20 30 CCEDLO CCN1C[C@@H](C[NH+]2CCN(CCC#N)CC2)OC1=O ZINC000846834405 615343231 /nfs/dbraw/zinc/34/32/31/615343231.db2.gz CHARSOZMZAEMOL-GFCCVEGCSA-N 1 2 266.345 0.358 20 30 CCEDLO CCS(=O)(=O)NCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776845 615346257 /nfs/dbraw/zinc/34/62/57/615346257.db2.gz BHOKBFYCHUDJMS-UHFFFAOYSA-N 1 2 287.410 0.991 20 30 CCEDLO CCS(=O)(=O)NCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776845 615346260 /nfs/dbraw/zinc/34/62/60/615346260.db2.gz BHOKBFYCHUDJMS-UHFFFAOYSA-N 1 2 287.410 0.991 20 30 CCEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801909408 615459177 /nfs/dbraw/zinc/45/91/77/615459177.db2.gz DSVOLBHLPOREGF-ZIAGYGMSSA-N 1 2 296.415 0.447 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000933221082 615549977 /nfs/dbraw/zinc/54/99/77/615549977.db2.gz OCOXPRVFSMTDQT-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000933221082 615549978 /nfs/dbraw/zinc/54/99/78/615549978.db2.gz OCOXPRVFSMTDQT-GFCCVEGCSA-N 1 2 280.372 0.349 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913460492 615587968 /nfs/dbraw/zinc/58/79/68/615587968.db2.gz JTEPVSILDDYPCH-OCCSQVGLSA-N 1 2 275.356 0.833 20 30 CCEDLO CC[C@@]1(C)NC(=O)N(N=Cc2c[nH+]c(C)n2C)C1=O ZINC000853273114 615598043 /nfs/dbraw/zinc/59/80/43/615598043.db2.gz AISJGNMKDRGYDE-GFCCVEGCSA-N 1 2 263.301 0.783 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000902940482 615718751 /nfs/dbraw/zinc/71/87/51/615718751.db2.gz QRAREBHMAIGRRQ-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CCn1nnc(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848416565 615742700 /nfs/dbraw/zinc/74/27/00/615742700.db2.gz PUUPSGLOZYTFSY-UHFFFAOYSA-N 1 2 261.333 0.817 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1ccccc1S(C)(=O)=O ZINC000913516356 615861143 /nfs/dbraw/zinc/86/11/43/615861143.db2.gz MCVFDGNBMBOWNC-UHFFFAOYSA-N 1 2 294.376 0.385 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308068 616041475 /nfs/dbraw/zinc/04/14/75/616041475.db2.gz PZKKMFGDEYZSJT-RYUDHWBXSA-N 1 2 287.367 0.886 20 30 CCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C#CC1CC1 ZINC000837584688 616088548 /nfs/dbraw/zinc/08/85/48/616088548.db2.gz MNWIKYRGFMQUJM-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C#CC1CC1 ZINC000837584688 616088550 /nfs/dbraw/zinc/08/85/50/616088550.db2.gz MNWIKYRGFMQUJM-UHFFFAOYSA-N 1 2 264.369 0.969 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933773021 616118600 /nfs/dbraw/zinc/11/86/00/616118600.db2.gz ZPSZYVLUWCUBLJ-UHFFFAOYSA-N 1 2 287.410 0.943 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933773021 616118603 /nfs/dbraw/zinc/11/86/03/616118603.db2.gz ZPSZYVLUWCUBLJ-UHFFFAOYSA-N 1 2 287.410 0.943 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@@H]1CO ZINC000913556270 616228053 /nfs/dbraw/zinc/22/80/53/616228053.db2.gz VGYIXCHRCHTGLQ-UWTIDYAISA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@@H]1CO ZINC000913556270 616228054 /nfs/dbraw/zinc/22/80/54/616228054.db2.gz VGYIXCHRCHTGLQ-UWTIDYAISA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1CO ZINC000913547699 616230235 /nfs/dbraw/zinc/23/02/35/616230235.db2.gz URKGSNUWGVOIAM-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1CO ZINC000913547699 616230236 /nfs/dbraw/zinc/23/02/36/616230236.db2.gz URKGSNUWGVOIAM-CQSZACIVSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cccc(C#N)c2)C1 ZINC000866397825 616255517 /nfs/dbraw/zinc/25/55/17/616255517.db2.gz ARDACNSGPYMSDY-CYBMUJFWSA-N 1 2 296.348 0.597 20 30 CCEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cccc(C#N)c2)C1 ZINC000866397825 616255518 /nfs/dbraw/zinc/25/55/18/616255518.db2.gz ARDACNSGPYMSDY-CYBMUJFWSA-N 1 2 296.348 0.597 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](CCNC(=O)NC(C)C)CC1 ZINC000828597419 616345148 /nfs/dbraw/zinc/34/51/48/616345148.db2.gz XWFIYIJQOXKFSR-UHFFFAOYSA-N 1 2 296.371 0.473 20 30 CCEDLO COC(=O)C1(O)CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000930167247 616373595 /nfs/dbraw/zinc/37/35/95/616373595.db2.gz KPGLYFISPGIKBS-UHFFFAOYSA-N 1 2 275.308 0.453 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@@H](C)O1 ZINC000859653219 616389110 /nfs/dbraw/zinc/38/91/10/616389110.db2.gz ADXCEAHCVQZIPQ-MXWKQRLJSA-N 1 2 256.302 0.177 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@@H](C)O1 ZINC000859653219 616389115 /nfs/dbraw/zinc/38/91/15/616389115.db2.gz ADXCEAHCVQZIPQ-MXWKQRLJSA-N 1 2 256.302 0.177 20 30 CCEDLO CNC(=O)C[N@H+](CC#CCOC)Cc1ccccc1 ZINC000879757333 616591452 /nfs/dbraw/zinc/59/14/52/616591452.db2.gz ADYDEUDPRNHASS-UHFFFAOYSA-N 1 2 260.337 0.884 20 30 CCEDLO CNC(=O)C[N@@H+](CC#CCOC)Cc1ccccc1 ZINC000879757333 616591453 /nfs/dbraw/zinc/59/14/53/616591453.db2.gz ADYDEUDPRNHASS-UHFFFAOYSA-N 1 2 260.337 0.884 20 30 CCEDLO COC[C@@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328913 616909033 /nfs/dbraw/zinc/90/90/33/616909033.db2.gz PKKWZLACZLCPRQ-ZFWWWQNUSA-N 1 2 275.352 0.946 20 30 CCEDLO COC[C@@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328913 616909035 /nfs/dbraw/zinc/90/90/35/616909035.db2.gz PKKWZLACZLCPRQ-ZFWWWQNUSA-N 1 2 275.352 0.946 20 30 CCEDLO CONC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000879926403 617108967 /nfs/dbraw/zinc/10/89/67/617108967.db2.gz QWPCLSFTBUAEHK-UHFFFAOYSA-N 1 2 274.324 0.843 20 30 CCEDLO Cc1ncc(CO)c(/C=N/Cc2c[nH+]cn2C)c1O ZINC000290565012 623181865 /nfs/dbraw/zinc/18/18/65/623181865.db2.gz NSVUQJMNMFXNTO-MKMNVTDBSA-N 1 2 260.297 0.941 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711636 624814303 /nfs/dbraw/zinc/81/43/03/624814303.db2.gz ZILXUKVBTXUNOM-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ncn[nH]2)C1 ZINC001021711636 624814304 /nfs/dbraw/zinc/81/43/04/624814304.db2.gz ZILXUKVBTXUNOM-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC000980847490 631068142 /nfs/dbraw/zinc/06/81/42/631068142.db2.gz CYOPTEJLRHCHOK-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000980847490 631068144 /nfs/dbraw/zinc/06/81/44/631068144.db2.gz CYOPTEJLRHCHOK-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO Cc1cc[nH+]c(N)c1CN1CCN(C(=O)CC#N)CC1 ZINC000895065865 631916680 /nfs/dbraw/zinc/91/66/80/631916680.db2.gz FDTFVKWIUFMALI-UHFFFAOYSA-N 1 2 273.340 0.530 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)CCn1cc[nH+]c1 ZINC000096474247 631942985 /nfs/dbraw/zinc/94/29/85/631942985.db2.gz WTXFESOHEGTPKC-UHFFFAOYSA-N 1 2 265.313 0.851 20 30 CCEDLO Cn1ncc(C[NH2+][C@H]2CCCN(O)C2=O)c1Cl ZINC000895158867 631991076 /nfs/dbraw/zinc/99/10/76/631991076.db2.gz PSVAKSFLMNJPDM-QMMMGPOBSA-N 1 2 258.709 0.543 20 30 CCEDLO COc1ncc(C[NH2+][C@H]2CCCN(O)C2=O)s1 ZINC000895158493 631991961 /nfs/dbraw/zinc/99/19/61/631991961.db2.gz KMRUOPUCRDDRDE-QMMMGPOBSA-N 1 2 257.315 0.622 20 30 CCEDLO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C#N)cn1 ZINC000895249840 632034109 /nfs/dbraw/zinc/03/41/09/632034109.db2.gz WFGNFMMRKCOEPI-WFASDCNBSA-N 1 2 273.384 0.730 20 30 CCEDLO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C#N)cn1 ZINC000895249840 632034126 /nfs/dbraw/zinc/03/41/26/632034126.db2.gz WFGNFMMRKCOEPI-WFASDCNBSA-N 1 2 273.384 0.730 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001007540803 650082711 /nfs/dbraw/zinc/08/27/11/650082711.db2.gz HIVFUHZMCRWYNX-CYBMUJFWSA-N 1 2 287.363 0.521 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001007540803 650082713 /nfs/dbraw/zinc/08/27/13/650082713.db2.gz HIVFUHZMCRWYNX-CYBMUJFWSA-N 1 2 287.363 0.521 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)[C@H]1C ZINC000987413953 632866508 /nfs/dbraw/zinc/86/65/08/632866508.db2.gz HJGUQZIIMXPIJN-MNOVXSKESA-N 1 2 261.329 0.363 20 30 CCEDLO NC(=O)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008385005 650112859 /nfs/dbraw/zinc/11/28/59/650112859.db2.gz NLOQHKMKRNKEDV-AWEZNQCLSA-N 1 2 285.347 0.104 20 30 CCEDLO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008385005 650112861 /nfs/dbraw/zinc/11/28/61/650112861.db2.gz NLOQHKMKRNKEDV-AWEZNQCLSA-N 1 2 285.347 0.104 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCn1cc[nH+]c1 ZINC000989259706 633179333 /nfs/dbraw/zinc/17/93/33/633179333.db2.gz NILLMJZSCMXBBJ-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC000989435332 633228088 /nfs/dbraw/zinc/22/80/88/633228088.db2.gz DAKVHTUJOARTGL-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC000989435332 633228092 /nfs/dbraw/zinc/22/80/92/633228092.db2.gz DAKVHTUJOARTGL-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO N#CC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCC1 ZINC000899058169 633724799 /nfs/dbraw/zinc/72/47/99/633724799.db2.gz MMMVVCSLKYEDIW-UHFFFAOYSA-N 1 2 279.340 0.245 20 30 CCEDLO N#CC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCC1 ZINC000899058169 633724802 /nfs/dbraw/zinc/72/48/02/633724802.db2.gz MMMVVCSLKYEDIW-UHFFFAOYSA-N 1 2 279.340 0.245 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(CC#N)C1 ZINC001008582710 650120557 /nfs/dbraw/zinc/12/05/57/650120557.db2.gz NYJWRRICLBCPGC-JHJVBQTASA-N 1 2 287.367 0.628 20 30 CCEDLO NC(=[NH+]OC[C@@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000902175045 634331668 /nfs/dbraw/zinc/33/16/68/634331668.db2.gz FGPMIRQZNCTKRH-QMMMGPOBSA-N 1 2 251.261 0.599 20 30 CCEDLO N#Cc1cncc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000905837164 634909710 /nfs/dbraw/zinc/90/97/10/634909710.db2.gz LACXIZJCSVMUKI-UHFFFAOYSA-N 1 2 298.350 0.468 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261299 650195081 /nfs/dbraw/zinc/19/50/81/650195081.db2.gz YYAHSHIYBIJFDM-GHMZBOCLSA-N 1 2 274.748 0.345 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010261299 650195085 /nfs/dbraw/zinc/19/50/85/650195085.db2.gz YYAHSHIYBIJFDM-GHMZBOCLSA-N 1 2 274.748 0.345 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676568 650252947 /nfs/dbraw/zinc/25/29/47/650252947.db2.gz PSZZKHRQHJIJID-WDEREUQCSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001010676568 650252951 /nfs/dbraw/zinc/25/29/51/650252951.db2.gz PSZZKHRQHJIJID-WDEREUQCSA-N 1 2 283.763 0.782 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010754748 650260912 /nfs/dbraw/zinc/26/09/12/650260912.db2.gz RANMEWHWZWKMME-LBPRGKRZSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001010754748 650260913 /nfs/dbraw/zinc/26/09/13/650260913.db2.gz RANMEWHWZWKMME-LBPRGKRZSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010840140 650269615 /nfs/dbraw/zinc/26/96/15/650269615.db2.gz KLLZFPPEJSTIKP-DTWKUNHWSA-N 1 2 273.720 0.038 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010840140 650269618 /nfs/dbraw/zinc/26/96/18/650269618.db2.gz KLLZFPPEJSTIKP-DTWKUNHWSA-N 1 2 273.720 0.038 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C#N)CCCC1 ZINC000912614098 636624435 /nfs/dbraw/zinc/62/44/35/636624435.db2.gz KEDHREODRSQEDD-JTQLQIEISA-N 1 2 262.313 0.654 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897737 636693023 /nfs/dbraw/zinc/69/30/23/636693023.db2.gz WNUYGVMXZKHYNY-LLVKDONJSA-N 1 2 267.329 0.101 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897737 636693031 /nfs/dbraw/zinc/69/30/31/636693031.db2.gz WNUYGVMXZKHYNY-LLVKDONJSA-N 1 2 267.329 0.101 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452669 636809351 /nfs/dbraw/zinc/80/93/51/636809351.db2.gz JIKRJCUELZUHKH-ZDUSSCGKSA-N 1 2 285.307 0.970 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)C1 ZINC000913467113 636819625 /nfs/dbraw/zinc/81/96/25/636819625.db2.gz JRLRVGNAPFVDHV-GLWUULTISA-N 1 2 287.367 0.833 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939407147 638361173 /nfs/dbraw/zinc/36/11/73/638361173.db2.gz ZIKUPLHUWFUBGX-PWSUYJOCSA-N 1 2 289.339 0.171 20 30 CCEDLO COCCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181845016 638427401 /nfs/dbraw/zinc/42/74/01/638427401.db2.gz NPRDAGBAQHMWFR-AWEZNQCLSA-N 1 2 293.367 0.823 20 30 CCEDLO COCCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181845016 638427404 /nfs/dbraw/zinc/42/74/04/638427404.db2.gz NPRDAGBAQHMWFR-AWEZNQCLSA-N 1 2 293.367 0.823 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000941930851 638587672 /nfs/dbraw/zinc/58/76/72/638587672.db2.gz OWCPOURILWIOAI-MWLCHTKSSA-N 1 2 289.339 0.137 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001014633595 650470185 /nfs/dbraw/zinc/47/01/85/650470185.db2.gz NWXAKCMCDVWMAG-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001014633595 650470186 /nfs/dbraw/zinc/47/01/86/650470186.db2.gz NWXAKCMCDVWMAG-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016265501 639320552 /nfs/dbraw/zinc/32/05/52/639320552.db2.gz BKTLBXFLXGFVGX-JTQLQIEISA-N 1 2 296.758 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016265501 639320559 /nfs/dbraw/zinc/32/05/59/639320559.db2.gz BKTLBXFLXGFVGX-JTQLQIEISA-N 1 2 296.758 0.670 20 30 CCEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001004481444 639820675 /nfs/dbraw/zinc/82/06/75/639820675.db2.gz MXOMZUBEEPFCNC-CYBMUJFWSA-N 1 2 288.355 0.645 20 30 CCEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001004481444 639820678 /nfs/dbraw/zinc/82/06/78/639820678.db2.gz MXOMZUBEEPFCNC-CYBMUJFWSA-N 1 2 288.355 0.645 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CC(C)(C)C#N)CCO1 ZINC000838112838 640232244 /nfs/dbraw/zinc/23/22/44/640232244.db2.gz LGZHPVPESRSPDX-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC(C)(C)C#N)CCO1 ZINC000838112838 640232248 /nfs/dbraw/zinc/23/22/48/640232248.db2.gz LGZHPVPESRSPDX-GFCCVEGCSA-N 1 2 282.388 0.898 20 30 CCEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000799183615 640553749 /nfs/dbraw/zinc/55/37/49/640553749.db2.gz VRHDXFWGSAIRLE-ZDUSSCGKSA-N 1 2 275.356 0.977 20 30 CCEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000799183615 640553753 /nfs/dbraw/zinc/55/37/53/640553753.db2.gz VRHDXFWGSAIRLE-ZDUSSCGKSA-N 1 2 275.356 0.977 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015625523 650595717 /nfs/dbraw/zinc/59/57/17/650595717.db2.gz BAJRSWDHHGRSCW-VIFPVBQESA-N 1 2 282.731 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015625523 650595719 /nfs/dbraw/zinc/59/57/19/650595719.db2.gz BAJRSWDHHGRSCW-VIFPVBQESA-N 1 2 282.731 0.327 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000801910275 640673031 /nfs/dbraw/zinc/67/30/31/640673031.db2.gz NQPFIAFHWXNJSZ-CHWSQXEVSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241258 640694561 /nfs/dbraw/zinc/69/45/61/640694561.db2.gz KVOWIPAZGIOVBG-UWVGGRQHSA-N 1 2 281.291 0.298 20 30 CCEDLO C[C@@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)n1cnc(C#N)n1 ZINC000802241258 640694566 /nfs/dbraw/zinc/69/45/66/640694566.db2.gz KVOWIPAZGIOVBG-UWVGGRQHSA-N 1 2 281.291 0.298 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015839030 650637965 /nfs/dbraw/zinc/63/79/65/650637965.db2.gz XXXJORICMYFIDU-JTQLQIEISA-N 1 2 291.376 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001015839030 650637966 /nfs/dbraw/zinc/63/79/66/650637966.db2.gz XXXJORICMYFIDU-JTQLQIEISA-N 1 2 291.376 0.674 20 30 CCEDLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCN(O)C1=O ZINC000816757132 641212918 /nfs/dbraw/zinc/21/29/18/641212918.db2.gz MEKSYYKLCIXYDL-SNVBAGLBSA-N 1 2 266.301 0.160 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)c1 ZINC001015871084 650642429 /nfs/dbraw/zinc/64/24/29/650642429.db2.gz GYEDYKJZKQKAIY-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)c1 ZINC001015871084 650642432 /nfs/dbraw/zinc/64/24/32/650642432.db2.gz GYEDYKJZKQKAIY-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)c1 ZINC001015871084 650642433 /nfs/dbraw/zinc/64/24/33/650642433.db2.gz GYEDYKJZKQKAIY-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)c1 ZINC001015871084 650642435 /nfs/dbraw/zinc/64/24/35/650642435.db2.gz GYEDYKJZKQKAIY-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)CO)CC2)cc1 ZINC000820015166 641447181 /nfs/dbraw/zinc/44/71/81/641447181.db2.gz ILWLAORTDOPRGA-HNNXBMFYSA-N 1 2 275.352 0.029 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001015979452 650667362 /nfs/dbraw/zinc/66/73/62/650667362.db2.gz YQCLPVOOBQASSU-JTQLQIEISA-N 1 2 263.297 0.258 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001015979452 650667365 /nfs/dbraw/zinc/66/73/65/650667365.db2.gz YQCLPVOOBQASSU-JTQLQIEISA-N 1 2 263.297 0.258 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[S@](C)=O ZINC000827990170 642058011 /nfs/dbraw/zinc/05/80/11/642058011.db2.gz GVXBYILDUNRJJI-YBTHPKLGSA-N 1 2 293.396 0.237 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[S@](C)=O ZINC000827990170 642058016 /nfs/dbraw/zinc/05/80/16/642058016.db2.gz GVXBYILDUNRJJI-YBTHPKLGSA-N 1 2 293.396 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccon1 ZINC001017429215 650801682 /nfs/dbraw/zinc/80/16/82/650801682.db2.gz SDVJEJFLFJTCKS-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccon1 ZINC001017429215 650801683 /nfs/dbraw/zinc/80/16/83/650801683.db2.gz SDVJEJFLFJTCKS-OKILXGFUSA-N 1 2 273.336 0.916 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOC1 ZINC001017433268 650802285 /nfs/dbraw/zinc/80/22/85/650802285.db2.gz YUHXDPHLLXHSFS-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOC1 ZINC001017433268 650802288 /nfs/dbraw/zinc/80/22/88/650802288.db2.gz YUHXDPHLLXHSFS-MELADBBJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001017474584 650804107 /nfs/dbraw/zinc/80/41/07/650804107.db2.gz JEDWZJJSDPYLRS-OKILXGFUSA-N 1 2 257.337 0.947 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001017474584 650804108 /nfs/dbraw/zinc/80/41/08/650804108.db2.gz JEDWZJJSDPYLRS-OKILXGFUSA-N 1 2 257.337 0.947 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)n1 ZINC001017529993 650809145 /nfs/dbraw/zinc/80/91/45/650809145.db2.gz MRURIQBDJPCNBI-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)n1 ZINC001017529993 650809147 /nfs/dbraw/zinc/80/91/47/650809147.db2.gz MRURIQBDJPCNBI-TXEJJXNPSA-N 1 2 275.356 0.773 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@@H]1CCOC1 ZINC001017549920 650810758 /nfs/dbraw/zinc/81/07/58/650810758.db2.gz OXHYWWPRIGYLPG-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@@H]1CCOC1 ZINC001017549920 650810761 /nfs/dbraw/zinc/81/07/61/650810761.db2.gz OXHYWWPRIGYLPG-QLFBSQMISA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OC)C1 ZINC001017644203 650815405 /nfs/dbraw/zinc/81/54/05/650815405.db2.gz SFHZBHNISFMABP-AKJUYKBHSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OC)C1 ZINC001017644203 650815406 /nfs/dbraw/zinc/81/54/06/650815406.db2.gz SFHZBHNISFMABP-AKJUYKBHSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C ZINC001017818014 650825089 /nfs/dbraw/zinc/82/50/89/650825089.db2.gz MFTVPYUHUSUHQS-MJBXVCDLSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C ZINC001017818014 650825091 /nfs/dbraw/zinc/82/50/91/650825091.db2.gz MFTVPYUHUSUHQS-MJBXVCDLSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1OC ZINC001017854215 650826985 /nfs/dbraw/zinc/82/69/85/650826985.db2.gz ZUWYSPAMVDEYCQ-OKILXGFUSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1OC ZINC001017854215 650826986 /nfs/dbraw/zinc/82/69/86/650826986.db2.gz ZUWYSPAMVDEYCQ-OKILXGFUSA-N 1 2 299.374 0.941 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001017890328 650832837 /nfs/dbraw/zinc/83/28/37/650832837.db2.gz GOEREWOBCJTCLZ-MJBXVCDLSA-N 1 2 264.369 0.966 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001017890328 650832841 /nfs/dbraw/zinc/83/28/41/650832841.db2.gz GOEREWOBCJTCLZ-MJBXVCDLSA-N 1 2 264.369 0.966 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)n1 ZINC001017964324 650837578 /nfs/dbraw/zinc/83/75/78/650837578.db2.gz ZCRLYKZQQVCELZ-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)n1 ZINC001017964324 650837581 /nfs/dbraw/zinc/83/75/81/650837581.db2.gz ZCRLYKZQQVCELZ-GASCZTMLSA-N 1 2 286.379 0.890 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)cc1=O ZINC001018008803 650839847 /nfs/dbraw/zinc/83/98/47/650839847.db2.gz KAKMRQWPYROWIF-GASCZTMLSA-N 1 2 299.374 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)cc1=O ZINC001018008803 650839848 /nfs/dbraw/zinc/83/98/48/650839848.db2.gz KAKMRQWPYROWIF-GASCZTMLSA-N 1 2 299.374 0.465 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001018032131 650841054 /nfs/dbraw/zinc/84/10/54/650841054.db2.gz AUCCXRGUHKCAHU-BETUJISGSA-N 1 2 275.377 0.994 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001018032131 650841056 /nfs/dbraw/zinc/84/10/56/650841056.db2.gz AUCCXRGUHKCAHU-BETUJISGSA-N 1 2 275.377 0.994 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000846954323 643474227 /nfs/dbraw/zinc/47/42/27/643474227.db2.gz IKAYJUJLUMOISO-OAHLLOKOSA-N 1 2 298.346 0.650 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCOC1 ZINC001018105275 650843561 /nfs/dbraw/zinc/84/35/61/650843561.db2.gz IBEVXZPZWAKBGP-VNHYZAJKSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCOC1 ZINC001018105275 650843563 /nfs/dbraw/zinc/84/35/63/650843563.db2.gz IBEVXZPZWAKBGP-VNHYZAJKSA-N 1 2 262.353 0.721 20 30 CCEDLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCN(O)C1=O ZINC000848131139 643599726 /nfs/dbraw/zinc/59/97/26/643599726.db2.gz ZFVYQYGBFQPBES-LLVKDONJSA-N 1 2 292.339 0.258 20 30 CCEDLO CC[N@H+](C[C@H](C)C#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851741151 643876661 /nfs/dbraw/zinc/87/66/61/643876661.db2.gz BCXGJYGMZFKJJX-DOMZBBRYSA-N 1 2 275.352 0.841 20 30 CCEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851741151 643876666 /nfs/dbraw/zinc/87/66/66/643876666.db2.gz BCXGJYGMZFKJJX-DOMZBBRYSA-N 1 2 275.352 0.841 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC(=O)O1 ZINC000851798274 643885555 /nfs/dbraw/zinc/88/55/55/643885555.db2.gz QCGZKKBTWZBLDY-ZDUSSCGKSA-N 1 2 281.356 0.240 20 30 CCEDLO CC(C)C#CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862107291 644974769 /nfs/dbraw/zinc/97/47/69/644974769.db2.gz IMSIYRYBYKKOLN-UHFFFAOYSA-N 1 2 250.342 0.625 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ncccn1 ZINC000863561824 645107076 /nfs/dbraw/zinc/10/70/76/645107076.db2.gz FECOFGZMZKRPSL-CYBMUJFWSA-N 1 2 284.319 0.878 20 30 CCEDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000884250253 647680673 /nfs/dbraw/zinc/68/06/73/647680673.db2.gz AKNBZKOXUFIRMT-FIDNZITISA-N 1 2 273.340 0.303 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885982142 647890004 /nfs/dbraw/zinc/89/00/04/647890004.db2.gz WGUUNHOARVTUGW-MNOVXSKESA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885982142 647890007 /nfs/dbraw/zinc/89/00/07/647890007.db2.gz WGUUNHOARVTUGW-MNOVXSKESA-N 1 2 251.330 0.252 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@]23CCOC3)nn1 ZINC000887456238 648111063 /nfs/dbraw/zinc/11/10/63/648111063.db2.gz BFHYWOPCTKSEOK-GXTWGEPZSA-N 1 2 260.341 0.818 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887688578 648144054 /nfs/dbraw/zinc/14/40/54/648144054.db2.gz MVRRSVSYRCSSQE-GXFFZTMASA-N 1 2 262.313 0.729 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887688578 648144056 /nfs/dbraw/zinc/14/40/56/648144056.db2.gz MVRRSVSYRCSSQE-GXFFZTMASA-N 1 2 262.313 0.729 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000930235761 648838560 /nfs/dbraw/zinc/83/85/60/648838560.db2.gz FYMGSHBHXPFPLD-GFCCVEGCSA-N 1 2 264.304 0.617 20 30 CCEDLO N#CC1CCC(C[N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000930529341 648872869 /nfs/dbraw/zinc/87/28/69/648872869.db2.gz WUSXDMUSIPGASZ-UHFFFAOYSA-N 1 2 275.356 0.916 20 30 CCEDLO N#CC1CCC(C[N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000930529341 648872870 /nfs/dbraw/zinc/87/28/70/648872870.db2.gz WUSXDMUSIPGASZ-UHFFFAOYSA-N 1 2 275.356 0.916 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCC#N)CCN1c1ccccc1 ZINC000934322348 649170603 /nfs/dbraw/zinc/17/06/03/649170603.db2.gz FXEVYEASIPFYHI-ZDUSSCGKSA-N 1 2 272.352 0.837 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCC#N)CCN1c1ccccc1 ZINC000934322348 649170605 /nfs/dbraw/zinc/17/06/05/649170605.db2.gz FXEVYEASIPFYHI-ZDUSSCGKSA-N 1 2 272.352 0.837 20 30 CCEDLO N#CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCSCC1 ZINC000935015485 649204877 /nfs/dbraw/zinc/20/48/77/649204877.db2.gz KSLZZNZBEXTIDC-LBPRGKRZSA-N 1 2 294.424 0.139 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC)C1=O ZINC001017272725 649682554 /nfs/dbraw/zinc/68/25/54/649682554.db2.gz JFPDOHZZBAYBFJ-HZSPNIEDSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC)C1=O ZINC001017272725 649682556 /nfs/dbraw/zinc/68/25/56/649682556.db2.gz JFPDOHZZBAYBFJ-HZSPNIEDSA-N 1 2 291.395 0.859 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001230010082 805574192 /nfs/dbraw/zinc/57/41/92/805574192.db2.gz DZSXNZOXNQTKJX-ZIAGYGMSSA-N 1 2 289.383 0.893 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC1CCN(CC#N)CC1 ZINC001230166657 805585493 /nfs/dbraw/zinc/58/54/93/805585493.db2.gz OFXYZUWZSGNTFM-UHFFFAOYSA-N 1 2 275.356 0.457 20 30 CCEDLO COC(=O)c1c[nH]c(O[C@H](CC#N)C[N+](C)(C)C)n1 ZINC001230279902 805591322 /nfs/dbraw/zinc/59/13/22/805591322.db2.gz JLTXRSHBRYRORN-SECBINFHSA-O 1 2 267.309 0.564 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230618958 805635662 /nfs/dbraw/zinc/63/56/62/805635662.db2.gz IBOBMXJEYZXNSX-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230618958 805635667 /nfs/dbraw/zinc/63/56/67/805635667.db2.gz IBOBMXJEYZXNSX-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO CCc1nocc1C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001266263899 790355470 /nfs/dbraw/zinc/35/54/70/790355470.db2.gz AYQNPYZVKBTTKI-SNVBAGLBSA-N 1 2 264.329 0.945 20 30 CCEDLO CCc1nocc1C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001266263899 790355481 /nfs/dbraw/zinc/35/54/81/790355481.db2.gz AYQNPYZVKBTTKI-SNVBAGLBSA-N 1 2 264.329 0.945 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001266271249 790371925 /nfs/dbraw/zinc/37/19/25/790371925.db2.gz HSOGUKNXSNQZFC-AWEZNQCLSA-N 1 2 281.356 0.858 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001266271249 790371938 /nfs/dbraw/zinc/37/19/38/790371938.db2.gz HSOGUKNXSNQZFC-AWEZNQCLSA-N 1 2 281.356 0.858 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001266281312 790391379 /nfs/dbraw/zinc/39/13/79/790391379.db2.gz LPNKFRIRHIQQHA-GJZGRUSLSA-N 1 2 293.411 0.169 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3F)[C@H]2C1 ZINC001083186558 790402264 /nfs/dbraw/zinc/40/22/64/790402264.db2.gz YZLAXWIVPAXUSE-NWDGAFQWSA-N 1 2 292.314 0.097 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]cc3F)[C@H]2C1 ZINC001083186558 790402271 /nfs/dbraw/zinc/40/22/71/790402271.db2.gz YZLAXWIVPAXUSE-NWDGAFQWSA-N 1 2 292.314 0.097 20 30 CCEDLO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266301831 790466448 /nfs/dbraw/zinc/46/64/48/790466448.db2.gz DEFRNTVVMRGXFT-LBPRGKRZSA-N 1 2 294.380 0.930 20 30 CCEDLO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266301831 790466458 /nfs/dbraw/zinc/46/64/58/790466458.db2.gz DEFRNTVVMRGXFT-LBPRGKRZSA-N 1 2 294.380 0.930 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001266313423 790490728 /nfs/dbraw/zinc/49/07/28/790490728.db2.gz ALCPNQOLVBIAAH-CYBMUJFWSA-N 1 2 277.368 0.589 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001266313423 790490732 /nfs/dbraw/zinc/49/07/32/790490732.db2.gz ALCPNQOLVBIAAH-CYBMUJFWSA-N 1 2 277.368 0.589 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001266315532 790492997 /nfs/dbraw/zinc/49/29/97/790492997.db2.gz XRVUOEPNOCRGFR-NEPJUHHUSA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001266315532 790493003 /nfs/dbraw/zinc/49/30/03/790493003.db2.gz XRVUOEPNOCRGFR-NEPJUHHUSA-N 1 2 279.384 0.525 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001039066380 790566291 /nfs/dbraw/zinc/56/62/91/790566291.db2.gz GPKUDUGXPKCWRP-LLVKDONJSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001039066380 790566296 /nfs/dbraw/zinc/56/62/96/790566296.db2.gz GPKUDUGXPKCWRP-LLVKDONJSA-N 1 2 286.335 0.008 20 30 CCEDLO CC[N@H+](CCNC(=O)C#CC1CC1)Cc1ccn(C)n1 ZINC001266390775 790624022 /nfs/dbraw/zinc/62/40/22/790624022.db2.gz LFUPWCZXZYEMAT-UHFFFAOYSA-N 1 2 274.368 0.772 20 30 CCEDLO CC[N@@H+](CCNC(=O)C#CC1CC1)Cc1ccn(C)n1 ZINC001266390775 790624029 /nfs/dbraw/zinc/62/40/29/790624029.db2.gz LFUPWCZXZYEMAT-UHFFFAOYSA-N 1 2 274.368 0.772 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001266454011 790745971 /nfs/dbraw/zinc/74/59/71/790745971.db2.gz OMGHMSRAUZOIEL-CYBMUJFWSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001266454011 790745978 /nfs/dbraw/zinc/74/59/78/790745978.db2.gz OMGHMSRAUZOIEL-CYBMUJFWSA-N 1 2 279.340 0.958 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCN(CC#N)C1CC1 ZINC001266617691 791041007 /nfs/dbraw/zinc/04/10/07/791041007.db2.gz SQCZZYNZICZPGB-UHFFFAOYSA-N 1 2 261.329 0.067 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001038205741 791085527 /nfs/dbraw/zinc/08/55/27/791085527.db2.gz XPPIDVMIBNRZCN-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001038205741 791085532 /nfs/dbraw/zinc/08/55/32/791085532.db2.gz XPPIDVMIBNRZCN-GFCCVEGCSA-N 1 2 258.325 0.612 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681228 805647716 /nfs/dbraw/zinc/64/77/16/805647716.db2.gz BKEIKPSTJIKKKF-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC001230681228 805647721 /nfs/dbraw/zinc/64/77/21/805647721.db2.gz BKEIKPSTJIKKKF-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001231122854 805735608 /nfs/dbraw/zinc/73/56/08/805735608.db2.gz OREGUJDSHDMZOR-MNOVXSKESA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001231122854 805735615 /nfs/dbraw/zinc/73/56/15/805735615.db2.gz OREGUJDSHDMZOR-MNOVXSKESA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001231169903 805743335 /nfs/dbraw/zinc/74/33/35/805743335.db2.gz LAXUWOOGFZFGPI-RYUDHWBXSA-N 1 2 293.367 0.291 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001231169903 805743340 /nfs/dbraw/zinc/74/33/40/805743340.db2.gz LAXUWOOGFZFGPI-RYUDHWBXSA-N 1 2 293.367 0.291 20 30 CCEDLO COC[C@H](C)[NH+]1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001277593790 805876081 /nfs/dbraw/zinc/87/60/81/805876081.db2.gz MUPFSMZQNMJRJS-LBPRGKRZSA-N 1 2 252.358 0.823 20 30 CCEDLO C[C@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673734 805967514 /nfs/dbraw/zinc/96/75/14/805967514.db2.gz LYUZSEZUGQGWIV-HUUCEWRRSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673734 805967519 /nfs/dbraw/zinc/96/75/19/805967519.db2.gz LYUZSEZUGQGWIV-HUUCEWRRSA-N 1 2 276.336 0.829 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1CNCC#N ZINC001266886666 791319253 /nfs/dbraw/zinc/31/92/53/791319253.db2.gz SSNZUCFRKCFGLO-AWEZNQCLSA-N 1 2 289.383 0.847 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001266928783 791361940 /nfs/dbraw/zinc/36/19/40/791361940.db2.gz XGUCRXZKOYXGLG-UWVGGRQHSA-N 1 2 282.344 0.736 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1nnc[nH]1 ZINC001233531481 806076428 /nfs/dbraw/zinc/07/64/28/806076428.db2.gz ZRSCRVXKYPSHTL-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1nnc[nH]1 ZINC001233531481 806076438 /nfs/dbraw/zinc/07/64/38/806076438.db2.gz ZRSCRVXKYPSHTL-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233531481 806076443 /nfs/dbraw/zinc/07/64/43/806076443.db2.gz ZRSCRVXKYPSHTL-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233531481 806076454 /nfs/dbraw/zinc/07/64/54/806076454.db2.gz ZRSCRVXKYPSHTL-GFCCVEGCSA-N 1 2 275.356 0.293 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233760675 806116394 /nfs/dbraw/zinc/11/63/94/806116394.db2.gz CHMDPUWWVXOQGZ-STQMWFEESA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233760675 806116398 /nfs/dbraw/zinc/11/63/98/806116398.db2.gz CHMDPUWWVXOQGZ-STQMWFEESA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233948452 806156559 /nfs/dbraw/zinc/15/65/59/806156559.db2.gz WBDWXUQXDKWSRQ-NWDGAFQWSA-N 1 2 265.357 0.196 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233948452 806156563 /nfs/dbraw/zinc/15/65/63/806156563.db2.gz WBDWXUQXDKWSRQ-NWDGAFQWSA-N 1 2 265.357 0.196 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234537092 806269289 /nfs/dbraw/zinc/26/92/89/806269289.db2.gz KHUITQRFUJBJPE-VXGBXAGGSA-N 1 2 281.400 0.995 20 30 CCEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234537092 806269292 /nfs/dbraw/zinc/26/92/92/806269292.db2.gz KHUITQRFUJBJPE-VXGBXAGGSA-N 1 2 281.400 0.995 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001234595362 806282293 /nfs/dbraw/zinc/28/22/93/806282293.db2.gz QZGPMCAADLMNBO-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001234595362 806282301 /nfs/dbraw/zinc/28/23/01/806282301.db2.gz QZGPMCAADLMNBO-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001235490870 806433245 /nfs/dbraw/zinc/43/32/45/806433245.db2.gz FEGCBLAHVKFTBJ-UHFFFAOYSA-N 1 2 281.360 0.013 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001124488600 799608725 /nfs/dbraw/zinc/60/87/25/799608725.db2.gz RXMWADVJYQIFCA-NSHDSACASA-N 1 2 296.371 0.819 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@@H]3CCC(=O)N3)CCC2S1 ZINC001202823236 799727554 /nfs/dbraw/zinc/72/75/54/799727554.db2.gz RLDZDQMTFUASPH-VHSXEESVSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCC(=O)N3)CCC2S1 ZINC001202823236 799727556 /nfs/dbraw/zinc/72/75/56/799727556.db2.gz RLDZDQMTFUASPH-VHSXEESVSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@H]2S1 ZINC001202823236 799727558 /nfs/dbraw/zinc/72/75/58/799727558.db2.gz RLDZDQMTFUASPH-VHSXEESVSA-N 1 2 252.339 0.539 20 30 CCEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@H]2S1 ZINC001202823236 799727559 /nfs/dbraw/zinc/72/75/59/799727559.db2.gz RLDZDQMTFUASPH-VHSXEESVSA-N 1 2 252.339 0.539 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c(N)ncnc2Cl)CC1 ZINC001139441437 799815006 /nfs/dbraw/zinc/81/50/06/799815006.db2.gz CAHWLGMCLAIVAF-UHFFFAOYSA-N 1 2 265.748 0.463 20 30 CCEDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2=O)cc1C#N ZINC001238625699 806794128 /nfs/dbraw/zinc/79/41/28/806794128.db2.gz MZBOGDLPIKLNDL-GFCCVEGCSA-N 1 2 293.348 0.076 20 30 CCEDLO O=C(C#Cc1ccccc1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142862816 800168266 /nfs/dbraw/zinc/16/82/66/800168266.db2.gz UOTOQFOXCWGRFW-CQSZACIVSA-N 1 2 269.304 0.481 20 30 CCEDLO O=C(C#Cc1ccccc1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142862816 800168270 /nfs/dbraw/zinc/16/82/70/800168270.db2.gz UOTOQFOXCWGRFW-CQSZACIVSA-N 1 2 269.304 0.481 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001153085495 800594625 /nfs/dbraw/zinc/59/46/25/800594625.db2.gz CTBQUESYGSXHEI-SNVBAGLBSA-N 1 2 284.385 0.898 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(F)c2C#N)C[NH2+]1 ZINC001156249002 801140146 /nfs/dbraw/zinc/14/01/46/801140146.db2.gz UAEHKTNZJMWQGR-XVKPBYJWSA-N 1 2 264.260 0.408 20 30 CCEDLO N#C[C@H]1CNCCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972409 801275910 /nfs/dbraw/zinc/27/59/10/801275910.db2.gz NJOZBMQDATTZNZ-VIFPVBQESA-N 1 2 270.296 0.083 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(F)c2C#N)C[NH2+]1 ZINC001158255410 801605361 /nfs/dbraw/zinc/60/53/61/801605361.db2.gz UAEHKTNZJMWQGR-XCBNKYQSSA-N 1 2 264.260 0.408 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C)c(C#N)cn1 ZINC001159293264 801785231 /nfs/dbraw/zinc/78/52/31/801785231.db2.gz FPJFOTVYMNBAHO-UHFFFAOYSA-N 1 2 257.297 0.963 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300088 802121928 /nfs/dbraw/zinc/12/19/28/802121928.db2.gz DJQWUWJUYZVXNL-LLVKDONJSA-N 1 2 261.329 0.065 20 30 CCEDLO CSc1nc(C)c(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162682308 802390267 /nfs/dbraw/zinc/39/02/67/802390267.db2.gz BHNXEFJUGBZPPV-SNVBAGLBSA-N 1 2 293.396 0.543 20 30 CCEDLO CSc1nc(C)c(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162682308 802390275 /nfs/dbraw/zinc/39/02/75/802390275.db2.gz BHNXEFJUGBZPPV-SNVBAGLBSA-N 1 2 293.396 0.543 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)nc(CC#N)n2)C1 ZINC001162682920 802390957 /nfs/dbraw/zinc/39/09/57/802390957.db2.gz KJSMPZKAJSFKKN-VIFPVBQESA-N 1 2 281.747 0.939 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2cc(Cl)nc(CC#N)n2)C1 ZINC001162682920 802390961 /nfs/dbraw/zinc/39/09/61/802390961.db2.gz KJSMPZKAJSFKKN-VIFPVBQESA-N 1 2 281.747 0.939 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC001278854951 808336517 /nfs/dbraw/zinc/33/65/17/808336517.db2.gz JYPFKOACOAUERL-AWEZNQCLSA-N 1 2 293.367 0.729 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC001278854951 808336527 /nfs/dbraw/zinc/33/65/27/808336527.db2.gz JYPFKOACOAUERL-AWEZNQCLSA-N 1 2 293.367 0.729 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859677 808348696 /nfs/dbraw/zinc/34/86/96/808348696.db2.gz GDVHVGJMTIOTLY-NXEZZACHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859677 808348705 /nfs/dbraw/zinc/34/87/05/808348705.db2.gz GDVHVGJMTIOTLY-NXEZZACHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278859677 808348712 /nfs/dbraw/zinc/34/87/12/808348712.db2.gz GDVHVGJMTIOTLY-NXEZZACHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278859677 808348717 /nfs/dbraw/zinc/34/87/17/808348717.db2.gz GDVHVGJMTIOTLY-NXEZZACHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#Cc1cncc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001164308384 802717121 /nfs/dbraw/zinc/71/71/21/802717121.db2.gz HWWUDWKTKKHMAS-STQMWFEESA-N 1 2 259.309 0.768 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cnc(F)c(C#N)c2)C[NH2+]1 ZINC001164308433 802717370 /nfs/dbraw/zinc/71/73/70/802717370.db2.gz KCSIVEXZJCDLOB-UWVGGRQHSA-N 1 2 264.260 0.408 20 30 CCEDLO CCCNC(=O)c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164660490 802776212 /nfs/dbraw/zinc/77/62/12/802776212.db2.gz DYSSVECHKPFSSS-GFCCVEGCSA-N 1 2 273.340 0.523 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCC3(CC2)COCC(=O)N3)c1 ZINC001165347958 802825460 /nfs/dbraw/zinc/82/54/60/802825460.db2.gz UXGPSXDLKJHKKZ-UHFFFAOYSA-N 1 2 286.335 0.633 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc[nH]c1C ZINC001268233111 812393569 /nfs/dbraw/zinc/39/35/69/812393569.db2.gz VEBDWGKBQGNZSC-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc[nH]c1C ZINC001268233111 812393574 /nfs/dbraw/zinc/39/35/74/812393574.db2.gz VEBDWGKBQGNZSC-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO CS(=O)(=O)N(c1ccc2nc(C#N)cc-2[nH]1)C1C[NH2+]C1 ZINC001166970419 803003036 /nfs/dbraw/zinc/00/30/36/803003036.db2.gz LWUYFICRYRFDEZ-UHFFFAOYSA-N 1 2 291.336 0.172 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)C1 ZINC001167007782 803011739 /nfs/dbraw/zinc/01/17/39/803011739.db2.gz PHBMLBMAGNXSTG-CHWSQXEVSA-N 1 2 299.378 0.780 20 30 CCEDLO C#C[C@@H]1CCCN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001167007782 803011747 /nfs/dbraw/zinc/01/17/47/803011747.db2.gz PHBMLBMAGNXSTG-CHWSQXEVSA-N 1 2 299.378 0.780 20 30 CCEDLO C[C@H](NC(=O)C1(C)CCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276413017 803033783 /nfs/dbraw/zinc/03/37/83/803033783.db2.gz AEHGAQKDQVEMGS-NSHDSACASA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+](C)CCC#N ZINC001209323030 803594853 /nfs/dbraw/zinc/59/48/53/803594853.db2.gz LCZUOQNCSMDIIK-SNVBAGLBSA-N 1 2 261.325 0.951 20 30 CCEDLO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+](C)CCC#N ZINC001209323030 803594856 /nfs/dbraw/zinc/59/48/56/803594856.db2.gz LCZUOQNCSMDIIK-SNVBAGLBSA-N 1 2 261.325 0.951 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001211378727 803679404 /nfs/dbraw/zinc/67/94/04/803679404.db2.gz HDWUSVKMBWDAHN-GRYCIOLGSA-N 1 2 288.413 0.290 20 30 CCEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001211378727 803679407 /nfs/dbraw/zinc/67/94/07/803679407.db2.gz HDWUSVKMBWDAHN-GRYCIOLGSA-N 1 2 288.413 0.290 20 30 CCEDLO CC[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213277949 803687341 /nfs/dbraw/zinc/68/73/41/803687341.db2.gz KTLAUSCOMLPCHR-JHJVBQTASA-N 1 2 286.347 0.200 20 30 CCEDLO CC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213277949 803687344 /nfs/dbraw/zinc/68/73/44/803687344.db2.gz KTLAUSCOMLPCHR-JHJVBQTASA-N 1 2 286.347 0.200 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)OCC)[C@H](OC)C1 ZINC001213310857 803690251 /nfs/dbraw/zinc/69/02/51/803690251.db2.gz WZKYXZBCMDCFDA-MGPQQGTHSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)OCC)[C@H](OC)C1 ZINC001213310857 803690254 /nfs/dbraw/zinc/69/02/54/803690254.db2.gz WZKYXZBCMDCFDA-MGPQQGTHSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@H](OC)C1 ZINC001213963444 803707997 /nfs/dbraw/zinc/70/79/97/803707997.db2.gz DMCWRRGXVKQCJR-RRFJBIMHSA-N 1 2 296.411 0.886 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)[C@H](OC)C1 ZINC001213963444 803708005 /nfs/dbraw/zinc/70/80/05/803708005.db2.gz DMCWRRGXVKQCJR-RRFJBIMHSA-N 1 2 296.411 0.886 20 30 CCEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214331740 803734697 /nfs/dbraw/zinc/73/46/97/803734697.db2.gz PRTGKGMVMHKNTQ-ZYHUDNBSSA-N 1 2 296.396 0.677 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCC)[C@H](OC)C1 ZINC001211986060 814961585 /nfs/dbraw/zinc/96/15/85/814961585.db2.gz GNVPTXOKJQNNGM-MGPQQGTHSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCCC)[C@H](OC)C1 ZINC001211986060 814961589 /nfs/dbraw/zinc/96/15/89/814961589.db2.gz GNVPTXOKJQNNGM-MGPQQGTHSA-N 1 2 282.384 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC=C)[C@H](OC)C1 ZINC001211992869 814967728 /nfs/dbraw/zinc/96/77/28/814967728.db2.gz ZGLVWBQHXYKMJE-MGPQQGTHSA-N 1 2 280.368 0.416 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCC=C)[C@H](OC)C1 ZINC001211992869 814967731 /nfs/dbraw/zinc/96/77/31/814967731.db2.gz ZGLVWBQHXYKMJE-MGPQQGTHSA-N 1 2 280.368 0.416 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C)co1 ZINC001272094083 814973057 /nfs/dbraw/zinc/97/30/57/814973057.db2.gz ZEBGXBYCPMEBEE-UHFFFAOYSA-N 1 2 291.351 0.341 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C)co1 ZINC001272094083 814973060 /nfs/dbraw/zinc/97/30/60/814973060.db2.gz ZEBGXBYCPMEBEE-UHFFFAOYSA-N 1 2 291.351 0.341 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)/C(C)=C/CC)[C@H]2C1 ZINC001217434826 803891405 /nfs/dbraw/zinc/89/14/05/803891405.db2.gz GVXTVQGNMTVOGP-GNZFURHMSA-N 1 2 262.353 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)/C(C)=C/CC)[C@H]2C1 ZINC001217434826 803891413 /nfs/dbraw/zinc/89/14/13/803891413.db2.gz GVXTVQGNMTVOGP-GNZFURHMSA-N 1 2 262.353 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCC)[C@H]2C1 ZINC001217579183 803896713 /nfs/dbraw/zinc/89/67/13/803896713.db2.gz HWNNPURZFYLAPK-MELADBBJSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCC)[C@H]2C1 ZINC001217579183 803896721 /nfs/dbraw/zinc/89/67/21/803896721.db2.gz HWNNPURZFYLAPK-MELADBBJSA-N 1 2 264.369 0.967 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039703 814982886 /nfs/dbraw/zinc/98/28/86/814982886.db2.gz PROWAPDEZSZQLS-IACUBPJLSA-N 1 2 288.351 0.557 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039703 814982891 /nfs/dbraw/zinc/98/28/91/814982891.db2.gz PROWAPDEZSZQLS-IACUBPJLSA-N 1 2 288.351 0.557 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039704 814983014 /nfs/dbraw/zinc/98/30/14/814983014.db2.gz PROWAPDEZSZQLS-MRVWCRGKSA-N 1 2 288.351 0.557 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039704 814983019 /nfs/dbraw/zinc/98/30/19/814983019.db2.gz PROWAPDEZSZQLS-MRVWCRGKSA-N 1 2 288.351 0.557 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC001218955075 804167562 /nfs/dbraw/zinc/16/75/62/804167562.db2.gz DGIKQPWIPOEXOD-ZDUSSCGKSA-N 1 2 258.281 0.344 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001219155396 804219982 /nfs/dbraw/zinc/21/99/82/804219982.db2.gz FABHXRIOAMLPPE-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001219155396 804219986 /nfs/dbraw/zinc/21/99/86/804219986.db2.gz FABHXRIOAMLPPE-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](O)C1 ZINC001219155412 804220433 /nfs/dbraw/zinc/22/04/33/804220433.db2.gz FSPFTOZXDSPZIP-ZNMIVQPWSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](O)C1 ZINC001219155412 804220443 /nfs/dbraw/zinc/22/04/43/804220443.db2.gz FSPFTOZXDSPZIP-ZNMIVQPWSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001219278981 804256429 /nfs/dbraw/zinc/25/64/29/804256429.db2.gz CYQVHSUIKLWAOG-NZETUCKYSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001219278981 804256439 /nfs/dbraw/zinc/25/64/39/804256439.db2.gz CYQVHSUIKLWAOG-NZETUCKYSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001219511565 804335172 /nfs/dbraw/zinc/33/51/72/804335172.db2.gz QODUPXRTIPSKFY-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001219511565 804335182 /nfs/dbraw/zinc/33/51/82/804335182.db2.gz QODUPXRTIPSKFY-KGLIPLIRSA-N 1 2 292.335 0.013 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219562142 804350125 /nfs/dbraw/zinc/35/01/25/804350125.db2.gz JDNZUVUVROODPM-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219562142 804350133 /nfs/dbraw/zinc/35/01/33/804350133.db2.gz JDNZUVUVROODPM-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083456840 815015243 /nfs/dbraw/zinc/01/52/43/815015243.db2.gz PENVUSNKZJYYDB-PWSUYJOCSA-N 1 2 291.351 0.380 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083456840 815015248 /nfs/dbraw/zinc/01/52/48/815015248.db2.gz PENVUSNKZJYYDB-PWSUYJOCSA-N 1 2 291.351 0.380 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178918 804526904 /nfs/dbraw/zinc/52/69/04/804526904.db2.gz ZHTQHCXHLGPIQX-MCIONIFRSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178918 804526909 /nfs/dbraw/zinc/52/69/09/804526909.db2.gz ZHTQHCXHLGPIQX-MCIONIFRSA-N 1 2 294.395 0.234 20 30 CCEDLO Cc1nc[nH]c1C[NH+]1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278355731 807022985 /nfs/dbraw/zinc/02/29/85/807022985.db2.gz XDMGJGYHLCDULP-CYBMUJFWSA-N 1 2 299.378 0.912 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220469864 804611994 /nfs/dbraw/zinc/61/19/94/804611994.db2.gz LKPHQJJMLHUSJN-YUELXQCFSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220469864 804611997 /nfs/dbraw/zinc/61/19/97/804611997.db2.gz LKPHQJJMLHUSJN-YUELXQCFSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@@H](O)C1 ZINC001220626744 804639467 /nfs/dbraw/zinc/63/94/67/804639467.db2.gz RNBPCOVQANUUJN-XQQFMLRXSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@@H](O)C1 ZINC001220626744 804639471 /nfs/dbraw/zinc/63/94/71/804639471.db2.gz RNBPCOVQANUUJN-XQQFMLRXSA-N 1 2 252.358 0.463 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316482134 804703178 /nfs/dbraw/zinc/70/31/78/804703178.db2.gz JZASNPOKCLBKDJ-YPMHNXCESA-N 1 2 250.273 0.482 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316482134 804703181 /nfs/dbraw/zinc/70/31/81/804703181.db2.gz JZASNPOKCLBKDJ-YPMHNXCESA-N 1 2 250.273 0.482 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001221141207 804734982 /nfs/dbraw/zinc/73/49/82/804734982.db2.gz MHUNGEVKIZKJMJ-RVAOTSRCSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001221141207 804734987 /nfs/dbraw/zinc/73/49/87/804734987.db2.gz MHUNGEVKIZKJMJ-RVAOTSRCSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001221738229 804841825 /nfs/dbraw/zinc/84/18/25/804841825.db2.gz ANDALFLXFRYKBD-RFQIPJPRSA-N 1 2 291.395 0.477 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001221738229 804841833 /nfs/dbraw/zinc/84/18/33/804841833.db2.gz ANDALFLXFRYKBD-RFQIPJPRSA-N 1 2 291.395 0.477 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001222637057 804921715 /nfs/dbraw/zinc/92/17/15/804921715.db2.gz XNJZIFVOAADSPL-LBPRGKRZSA-N 1 2 287.367 0.964 20 30 CCEDLO Cc1noc(C[NH+]2CCC(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001222636743 804922094 /nfs/dbraw/zinc/92/20/94/804922094.db2.gz PDNZOMKZTXKFPZ-SNVBAGLBSA-N 1 2 291.355 0.866 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276842831 804935439 /nfs/dbraw/zinc/93/54/39/804935439.db2.gz ROONNCSVTKXKGU-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276842831 804935443 /nfs/dbraw/zinc/93/54/43/804935443.db2.gz ROONNCSVTKXKGU-CHWSQXEVSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001276955803 805015165 /nfs/dbraw/zinc/01/51/65/805015165.db2.gz JJUUMMRSVXFDFU-ZDUSSCGKSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001276955803 805015176 /nfs/dbraw/zinc/01/51/76/805015176.db2.gz JJUUMMRSVXFDFU-ZDUSSCGKSA-N 1 2 260.341 0.269 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CCC1 ZINC001276964278 805027376 /nfs/dbraw/zinc/02/73/76/805027376.db2.gz RPRVQBWPPOZRBM-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C(=O)NC)CCC1 ZINC001276964278 805027386 /nfs/dbraw/zinc/02/73/86/805027386.db2.gz RPRVQBWPPOZRBM-LBPRGKRZSA-N 1 2 277.368 0.117 20 30 CCEDLO C=CCOCC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001277020150 805107042 /nfs/dbraw/zinc/10/70/42/805107042.db2.gz MCYPRYYPFHGGKG-UHFFFAOYSA-N 1 2 280.328 0.319 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)/C=C\C3CC3)C2)nn1 ZINC001098649467 815054774 /nfs/dbraw/zinc/05/47/74/815054774.db2.gz ROBBQIPGWRVYCR-YVACAVLKSA-N 1 2 299.378 0.741 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1CC#N ZINC001088679851 815056440 /nfs/dbraw/zinc/05/64/40/815056440.db2.gz ZHPREPRZFHZDLG-AGIUHOORSA-N 1 2 287.367 0.548 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1C(=O)NO ZINC001227012429 805309138 /nfs/dbraw/zinc/30/91/38/805309138.db2.gz XNMFHXUFYJDIGI-LLVKDONJSA-N 1 2 280.324 0.905 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001278409504 807083661 /nfs/dbraw/zinc/08/36/61/807083661.db2.gz GUGJLVDGIBEHIL-ZDUSSCGKSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001278409504 807083663 /nfs/dbraw/zinc/08/36/63/807083663.db2.gz GUGJLVDGIBEHIL-ZDUSSCGKSA-N 1 2 286.397 0.188 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N/C(C)=C\C(=O)C(F)(F)F)C[NH2+]1 ZINC001246284509 807206649 /nfs/dbraw/zinc/20/66/49/807206649.db2.gz ODDNMLNLJMJASR-BYHGJBBWSA-N 1 2 280.246 0.515 20 30 CCEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC001248751917 807523625 /nfs/dbraw/zinc/52/36/25/807523625.db2.gz PGVXUJXQAXORHZ-CQSZACIVSA-N 1 2 273.336 0.807 20 30 CCEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001248751917 807523629 /nfs/dbraw/zinc/52/36/29/807523629.db2.gz PGVXUJXQAXORHZ-CQSZACIVSA-N 1 2 273.336 0.807 20 30 CCEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)cs1 ZINC001251011074 807640198 /nfs/dbraw/zinc/64/01/98/807640198.db2.gz GDHPCGOTYCJFDI-NSHDSACASA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1ncc(Cl)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251012516 807642104 /nfs/dbraw/zinc/64/21/04/807642104.db2.gz UWLSLCCCUAUAOV-LLVKDONJSA-N 1 2 296.758 0.712 20 30 CCEDLO N#Cc1c(F)cc(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033891 807649654 /nfs/dbraw/zinc/64/96/54/807649654.db2.gz OVVPBSKYYSODIO-LLVKDONJSA-N 1 2 297.305 0.941 20 30 CCEDLO C#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC001251032865 807649955 /nfs/dbraw/zinc/64/99/55/807649955.db2.gz BCRICDKVUBSVAO-CQSZACIVSA-N 1 2 278.327 0.912 20 30 CCEDLO C#CCOC[C@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001251825040 807711333 /nfs/dbraw/zinc/71/13/33/807711333.db2.gz SGZNIHATJLSCCC-CYBMUJFWSA-N 1 2 291.351 0.341 20 30 CCEDLO C#CCOC[C@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001251829427 807712585 /nfs/dbraw/zinc/71/25/85/807712585.db2.gz VDUQTXGXIGNYHX-UONOGXRCSA-N 1 2 291.351 0.075 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001251897239 807741277 /nfs/dbraw/zinc/74/12/77/807741277.db2.gz WDSNVYSPLRYSBH-CYBMUJFWSA-N 1 2 291.347 0.521 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001251897277 807741493 /nfs/dbraw/zinc/74/14/93/807741493.db2.gz WQJUIHHVWCHXEW-CYBMUJFWSA-N 1 2 283.368 0.853 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252494893 807893960 /nfs/dbraw/zinc/89/39/60/807893960.db2.gz HLVVUGSQKUYAMQ-SNVBAGLBSA-N 1 2 253.302 0.520 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252551929 807907643 /nfs/dbraw/zinc/90/76/43/807907643.db2.gz DZFSAIHZSDXNQK-YPMHNXCESA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252551929 807907646 /nfs/dbraw/zinc/90/76/46/807907646.db2.gz DZFSAIHZSDXNQK-YPMHNXCESA-N 1 2 266.345 0.298 20 30 CCEDLO C=CCC[C@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252591965 807915596 /nfs/dbraw/zinc/91/55/96/807915596.db2.gz HRYDDMFKOAMWLM-HNNXBMFYSA-N 1 2 294.399 0.954 20 30 CCEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144580 808010677 /nfs/dbraw/zinc/01/06/77/808010677.db2.gz CRPRQUWETRRAJR-CABCVRRESA-N 1 2 290.363 0.807 20 30 CCEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144580 808010684 /nfs/dbraw/zinc/01/06/84/808010684.db2.gz CRPRQUWETRRAJR-CABCVRRESA-N 1 2 290.363 0.807 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001253578066 808085281 /nfs/dbraw/zinc/08/52/81/808085281.db2.gz UWTQSEDMRGOXNJ-NWDGAFQWSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001253578066 808085285 /nfs/dbraw/zinc/08/52/85/808085285.db2.gz UWTQSEDMRGOXNJ-NWDGAFQWSA-N 1 2 280.372 0.781 20 30 CCEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)NC1(C#N)CCC1 ZINC001255582283 808409710 /nfs/dbraw/zinc/40/97/10/808409710.db2.gz WHUXMZQDKGJGNY-NXEZZACHSA-N 1 2 276.344 0.417 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077134 809185500 /nfs/dbraw/zinc/18/55/00/809185500.db2.gz TWEWRTNZKDHAJD-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1C ZINC001262077134 809185504 /nfs/dbraw/zinc/18/55/04/809185504.db2.gz TWEWRTNZKDHAJD-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3ccsc3C2)C1=O ZINC001262668863 809389797 /nfs/dbraw/zinc/38/97/97/809389797.db2.gz GZOBELRPBPJKPC-NSHDSACASA-N 1 2 274.345 0.867 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3ccsc3C2)C1=O ZINC001262668863 809389804 /nfs/dbraw/zinc/38/98/04/809389804.db2.gz GZOBELRPBPJKPC-NSHDSACASA-N 1 2 274.345 0.867 20 30 CCEDLO N#Cc1ccnnc1NC1CC([NH+]2CCOCC2)C1 ZINC001262700983 809400171 /nfs/dbraw/zinc/40/01/71/809400171.db2.gz YHCGBQAYPFLCFC-UHFFFAOYSA-N 1 2 259.313 0.623 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264180337 809636186 /nfs/dbraw/zinc/63/61/86/809636186.db2.gz AIMYFLDOQGDEIP-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CN(CC#N)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264180337 809636187 /nfs/dbraw/zinc/63/61/87/809636187.db2.gz AIMYFLDOQGDEIP-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001265205690 809723844 /nfs/dbraw/zinc/72/38/44/809723844.db2.gz LZBNKCNBHURLEG-YFTXEMMHSA-N 1 2 292.383 0.563 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001265205690 809723845 /nfs/dbraw/zinc/72/38/45/809723845.db2.gz LZBNKCNBHURLEG-YFTXEMMHSA-N 1 2 292.383 0.563 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC001265263952 809735077 /nfs/dbraw/zinc/73/50/77/809735077.db2.gz CVINLMZAFWMUGV-CABCVRRESA-N 1 2 293.411 0.169 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001280415775 810017669 /nfs/dbraw/zinc/01/76/69/810017669.db2.gz NVWSDTSNSGHZNJ-GXTWGEPZSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001280415775 810017672 /nfs/dbraw/zinc/01/76/72/810017672.db2.gz NVWSDTSNSGHZNJ-GXTWGEPZSA-N 1 2 286.347 0.508 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001076754064 815365799 /nfs/dbraw/zinc/36/57/99/815365799.db2.gz CWVZSWXXXWPIKD-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001076754064 815365804 /nfs/dbraw/zinc/36/58/04/815365804.db2.gz CWVZSWXXXWPIKD-ZIAGYGMSSA-N 1 2 273.336 0.188 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001076796178 815376340 /nfs/dbraw/zinc/37/63/40/815376340.db2.gz BYJHDRZDTQHWJX-NXEZZACHSA-N 1 2 267.354 0.412 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001076796178 815376347 /nfs/dbraw/zinc/37/63/47/815376347.db2.gz BYJHDRZDTQHWJX-NXEZZACHSA-N 1 2 267.354 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001076846166 815393116 /nfs/dbraw/zinc/39/31/16/815393116.db2.gz WFXURBFRXQJQEL-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001076846166 815393121 /nfs/dbraw/zinc/39/31/21/815393121.db2.gz WFXURBFRXQJQEL-VXGBXAGGSA-N 1 2 262.309 0.305 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2F)C1 ZINC001076958266 815423411 /nfs/dbraw/zinc/42/34/11/815423411.db2.gz BYLXJHHBXUQNGH-NXEZZACHSA-N 1 2 270.329 0.848 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2F)C1 ZINC001076958266 815423414 /nfs/dbraw/zinc/42/34/14/815423414.db2.gz BYLXJHHBXUQNGH-NXEZZACHSA-N 1 2 270.329 0.848 20 30 CCEDLO C[C@H]([NH2+]CCN(C)C(=O)CSCC#N)c1csnn1 ZINC001267349564 811193859 /nfs/dbraw/zinc/19/38/59/811193859.db2.gz XYKOKDPTCJRLIP-VIFPVBQESA-N 1 2 299.425 0.904 20 30 CCEDLO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001267396849 811283680 /nfs/dbraw/zinc/28/36/80/811283680.db2.gz CZRZCIRTKDBBFP-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001267396849 811283683 /nfs/dbraw/zinc/28/36/83/811283683.db2.gz CZRZCIRTKDBBFP-GASCZTMLSA-N 1 2 294.395 0.738 20 30 CCEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1F ZINC001140752142 811386024 /nfs/dbraw/zinc/38/60/24/811386024.db2.gz GOFIDDYAQXDUNM-TVQRCGJNSA-N 1 2 268.263 0.621 20 30 CCEDLO N#Cc1c(F)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1F ZINC001140752142 811386034 /nfs/dbraw/zinc/38/60/34/811386034.db2.gz GOFIDDYAQXDUNM-TVQRCGJNSA-N 1 2 268.263 0.621 20 30 CCEDLO CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC#N)C1 ZINC001267539914 811421976 /nfs/dbraw/zinc/42/19/76/811421976.db2.gz VQXVYNSOMOSIRX-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC#N)C1 ZINC001267539914 811421978 /nfs/dbraw/zinc/42/19/78/811421978.db2.gz VQXVYNSOMOSIRX-UONOGXRCSA-N 1 2 294.399 0.153 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001077141960 815450337 /nfs/dbraw/zinc/45/03/37/815450337.db2.gz LDVWLPVOMPLKTQ-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001077141960 815450343 /nfs/dbraw/zinc/45/03/43/815450343.db2.gz LDVWLPVOMPLKTQ-HUUCEWRRSA-N 1 2 287.363 0.442 20 30 CCEDLO C[C@H](CNc1ccncc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648512 811546241 /nfs/dbraw/zinc/54/62/41/811546241.db2.gz VXNNZNMGHSYLSG-LLVKDONJSA-N 1 2 298.350 0.600 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001077180822 815457576 /nfs/dbraw/zinc/45/75/76/815457576.db2.gz ROTGKBKULQJEAD-ZIAGYGMSSA-N 1 2 298.346 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001077180822 815457578 /nfs/dbraw/zinc/45/75/78/815457578.db2.gz ROTGKBKULQJEAD-ZIAGYGMSSA-N 1 2 298.346 0.361 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001267616798 811572421 /nfs/dbraw/zinc/57/24/21/811572421.db2.gz CSECUQQMAMYNJB-DOMZBBRYSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001267616798 811572427 /nfs/dbraw/zinc/57/24/27/811572427.db2.gz CSECUQQMAMYNJB-DOMZBBRYSA-N 1 2 281.400 0.915 20 30 CCEDLO Cn1cncc1C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267625192 811582243 /nfs/dbraw/zinc/58/22/43/811582243.db2.gz XGQQOHBBBQTMMG-AWEZNQCLSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1cncc1C[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267625192 811582246 /nfs/dbraw/zinc/58/22/46/811582246.db2.gz XGQQOHBBBQTMMG-AWEZNQCLSA-N 1 2 286.379 0.914 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267624768 811583907 /nfs/dbraw/zinc/58/39/07/811583907.db2.gz NLUAWCRPOIWKPV-AWEZNQCLSA-N 1 2 289.379 0.283 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267624768 811583914 /nfs/dbraw/zinc/58/39/14/811583914.db2.gz NLUAWCRPOIWKPV-AWEZNQCLSA-N 1 2 289.379 0.283 20 30 CCEDLO C=CCC1(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CCC1 ZINC001267692847 811657556 /nfs/dbraw/zinc/65/75/56/811657556.db2.gz NIZDGUWNCFGMOF-ZDUSSCGKSA-N 1 2 291.395 0.669 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001267705008 811668545 /nfs/dbraw/zinc/66/85/45/811668545.db2.gz KPVDSMSFTFBINM-RYUDHWBXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001267705008 811668547 /nfs/dbraw/zinc/66/85/47/811668547.db2.gz KPVDSMSFTFBINM-RYUDHWBXSA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717030 811679213 /nfs/dbraw/zinc/67/92/13/811679213.db2.gz QJJLANNUIJREDK-KBPBESRZSA-N 1 2 272.352 0.582 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717030 811679217 /nfs/dbraw/zinc/67/92/17/811679217.db2.gz QJJLANNUIJREDK-KBPBESRZSA-N 1 2 272.352 0.582 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)SC)C1 ZINC001267740748 811722240 /nfs/dbraw/zinc/72/22/40/811722240.db2.gz RZQWTDYXBNREMF-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)SC)C1 ZINC001267740748 811722247 /nfs/dbraw/zinc/72/22/47/811722247.db2.gz RZQWTDYXBNREMF-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001267741132 811724314 /nfs/dbraw/zinc/72/43/14/811724314.db2.gz KASCCEGTODMTOP-NEPJUHHUSA-N 1 2 277.368 0.115 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267741132 811724319 /nfs/dbraw/zinc/72/43/19/811724319.db2.gz KASCCEGTODMTOP-NEPJUHHUSA-N 1 2 277.368 0.115 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615546 811788454 /nfs/dbraw/zinc/78/84/54/811788454.db2.gz VLYQWTWMCJKZQW-CYBMUJFWSA-N 1 2 275.356 0.430 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC001105128895 811851410 /nfs/dbraw/zinc/85/14/10/811851410.db2.gz NSLWOZRVSTXGBE-UHFFFAOYSA-N 1 2 273.340 0.184 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136753 811855018 /nfs/dbraw/zinc/85/50/18/811855018.db2.gz DRCKMSGIUZJGHM-UHFFFAOYSA-N 1 2 261.329 0.184 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](O)C1 ZINC001083574635 815483745 /nfs/dbraw/zinc/48/37/45/815483745.db2.gz GSAUEWOFFPASSZ-NEPJUHHUSA-N 1 2 295.289 0.158 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](O)C1 ZINC001083574635 815483751 /nfs/dbraw/zinc/48/37/51/815483751.db2.gz GSAUEWOFFPASSZ-NEPJUHHUSA-N 1 2 295.289 0.158 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CC)C2)nn1 ZINC001105314539 811907266 /nfs/dbraw/zinc/90/72/66/811907266.db2.gz VORNWPKNQZYVQF-UHFFFAOYSA-N 1 2 289.383 0.820 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC=CC3)C2)nn1 ZINC001105317276 811908240 /nfs/dbraw/zinc/90/82/40/811908240.db2.gz QFRQTCHARWRGSA-UHFFFAOYSA-N 1 2 299.378 0.741 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cncs2)C1 ZINC001268025226 811992696 /nfs/dbraw/zinc/99/26/96/811992696.db2.gz OYIZFTLCCCSABJ-NSHDSACASA-N 1 2 281.381 0.689 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cncs2)C1 ZINC001268025226 811992700 /nfs/dbraw/zinc/99/27/00/811992700.db2.gz OYIZFTLCCCSABJ-NSHDSACASA-N 1 2 281.381 0.689 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc3ccccn32)C1 ZINC001077384623 815490463 /nfs/dbraw/zinc/49/04/63/815490463.db2.gz HZINPISVAJVDNJ-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc3ccccn32)C1 ZINC001077384623 815490465 /nfs/dbraw/zinc/49/04/65/815490465.db2.gz HZINPISVAJVDNJ-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001268029065 812019644 /nfs/dbraw/zinc/01/96/44/812019644.db2.gz BYGJQZILCYRUDP-OCCSQVGLSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001268029065 812019646 /nfs/dbraw/zinc/01/96/46/812019646.db2.gz BYGJQZILCYRUDP-OCCSQVGLSA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001027954348 812163644 /nfs/dbraw/zinc/16/36/44/812163644.db2.gz LGMJXBFIGSAMAG-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001027954348 812163647 /nfs/dbraw/zinc/16/36/47/812163647.db2.gz LGMJXBFIGSAMAG-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027973224 812182351 /nfs/dbraw/zinc/18/23/51/812182351.db2.gz MOKVKRUVXDYINK-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976562 812186621 /nfs/dbraw/zinc/18/66/21/812186621.db2.gz CZRIVTGWXBVLSG-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027978672 812189467 /nfs/dbraw/zinc/18/94/67/812189467.db2.gz CAQORPGRYFKJDY-STQMWFEESA-N 1 2 287.367 0.550 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007937 812211466 /nfs/dbraw/zinc/21/14/66/812211466.db2.gz SFMXJQBVMCTQGV-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007937 812211473 /nfs/dbraw/zinc/21/14/73/812211473.db2.gz SFMXJQBVMCTQGV-STQMWFEESA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007936 812211489 /nfs/dbraw/zinc/21/14/89/812211489.db2.gz SFMXJQBVMCTQGV-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007936 812211497 /nfs/dbraw/zinc/21/14/97/812211497.db2.gz SFMXJQBVMCTQGV-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001038862893 812264659 /nfs/dbraw/zinc/26/46/59/812264659.db2.gz DRALXMXOTLBJTH-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001038862893 812264666 /nfs/dbraw/zinc/26/46/66/812264666.db2.gz DRALXMXOTLBJTH-LLVKDONJSA-N 1 2 261.329 0.125 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CCCC#CC ZINC001268245644 812412411 /nfs/dbraw/zinc/41/24/11/812412411.db2.gz RHYCYTQVDIWMSM-UHFFFAOYSA-N 1 2 291.395 0.320 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CCCC#CC ZINC001268245644 812412416 /nfs/dbraw/zinc/41/24/16/812412416.db2.gz RHYCYTQVDIWMSM-UHFFFAOYSA-N 1 2 291.395 0.320 20 30 CCEDLO C=CCCC(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001268256239 812422607 /nfs/dbraw/zinc/42/26/07/812422607.db2.gz BTGRMQORBREGRK-UHFFFAOYSA-N 1 2 275.352 0.652 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NC1C[NH+](C[C@H](C)O)C1)OCC ZINC001268309960 812473185 /nfs/dbraw/zinc/47/31/85/812473185.db2.gz BFXZFKSYMSMOCK-WCQYABFASA-N 1 2 270.373 0.539 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCNCC#N)c[nH+]1 ZINC001268376108 812530740 /nfs/dbraw/zinc/53/07/40/812530740.db2.gz VOHCQFAENLFEFO-NSHDSACASA-N 1 2 277.372 0.935 20 30 CCEDLO C=CCCCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001268445230 812570276 /nfs/dbraw/zinc/57/02/76/812570276.db2.gz JBVXEPOVBWJNMX-GFCCVEGCSA-N 1 2 256.346 0.150 20 30 CCEDLO CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)C#CC(C)C ZINC001268449327 812577141 /nfs/dbraw/zinc/57/71/41/812577141.db2.gz WAMLOJNRBXOLPC-UHFFFAOYSA-N 1 2 278.356 0.976 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC001211759207 812700719 /nfs/dbraw/zinc/70/07/19/812700719.db2.gz GJKKYEGZJGOWGO-ZIAGYGMSSA-N 1 2 280.368 0.252 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC001211759207 812700720 /nfs/dbraw/zinc/70/07/20/812700720.db2.gz GJKKYEGZJGOWGO-ZIAGYGMSSA-N 1 2 280.368 0.252 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768815 812714148 /nfs/dbraw/zinc/71/41/48/812714148.db2.gz RXZYBUYPWUBQBH-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768815 812714155 /nfs/dbraw/zinc/71/41/55/812714155.db2.gz RXZYBUYPWUBQBH-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 ZINC001211780273 812722939 /nfs/dbraw/zinc/72/29/39/812722939.db2.gz ZRHYBBAEUOXCRR-CHWSQXEVSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 ZINC001211780273 812722945 /nfs/dbraw/zinc/72/29/45/812722945.db2.gz ZRHYBBAEUOXCRR-CHWSQXEVSA-N 1 2 297.399 0.150 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@H](OC)C1 ZINC001212133799 815559620 /nfs/dbraw/zinc/55/96/20/815559620.db2.gz DUBSCKMSDKJXDI-UPJWGTAASA-N 1 2 284.425 0.967 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)SC)[C@H](OC)C1 ZINC001212133799 815559624 /nfs/dbraw/zinc/55/96/24/815559624.db2.gz DUBSCKMSDKJXDI-UPJWGTAASA-N 1 2 284.425 0.967 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)c1 ZINC001083390439 812932355 /nfs/dbraw/zinc/93/23/55/812932355.db2.gz QKJJHLSTJAXFNY-HHDBNCKJSA-N 1 2 294.742 0.414 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)c1 ZINC001083390439 812932358 /nfs/dbraw/zinc/93/23/58/812932358.db2.gz QKJJHLSTJAXFNY-HHDBNCKJSA-N 1 2 294.742 0.414 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CSCC#N)n1 ZINC001268638209 812960233 /nfs/dbraw/zinc/96/02/33/812960233.db2.gz IURKTTLGOVOVBP-RKDXNWHRSA-N 1 2 297.384 0.790 20 30 CCEDLO C#CCCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001268685141 813004285 /nfs/dbraw/zinc/00/42/85/813004285.db2.gz CJYGXOQTMFVELD-JTQLQIEISA-N 1 2 264.329 0.776 20 30 CCEDLO C#CCCCCC(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001268822265 813102737 /nfs/dbraw/zinc/10/27/37/813102737.db2.gz GQQMUNZGRGWMEA-UHFFFAOYSA-N 1 2 279.384 0.364 20 30 CCEDLO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001127031490 815580060 /nfs/dbraw/zinc/58/00/60/815580060.db2.gz DXUWQUARLXGFME-LBPRGKRZSA-N 1 2 279.340 0.790 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269199875 813259815 /nfs/dbraw/zinc/25/98/15/813259815.db2.gz HDZGABUQKYIQRA-CHWSQXEVSA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269199875 813259819 /nfs/dbraw/zinc/25/98/19/813259819.db2.gz HDZGABUQKYIQRA-CHWSQXEVSA-N 1 2 252.358 0.873 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(CC)C1=O ZINC001269221984 813275473 /nfs/dbraw/zinc/27/54/73/813275473.db2.gz CXAZRYISGCKSEX-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(CC)C1=O ZINC001269221984 813275476 /nfs/dbraw/zinc/27/54/76/813275476.db2.gz CXAZRYISGCKSEX-UONOGXRCSA-N 1 2 291.395 0.601 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)COC(C)(C)C ZINC001269222967 813276231 /nfs/dbraw/zinc/27/62/31/813276231.db2.gz JYQOTORIOQYAIJ-ZDUSSCGKSA-N 1 2 282.384 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)COC(C)(C)C ZINC001269222967 813276235 /nfs/dbraw/zinc/27/62/35/813276235.db2.gz JYQOTORIOQYAIJ-ZDUSSCGKSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001269247180 813289703 /nfs/dbraw/zinc/28/97/03/813289703.db2.gz HFIGYCLWVXBJSP-LLVKDONJSA-N 1 2 263.297 0.186 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001269247180 813289708 /nfs/dbraw/zinc/28/97/08/813289708.db2.gz HFIGYCLWVXBJSP-LLVKDONJSA-N 1 2 263.297 0.186 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(N)=O)C1 ZINC001269250335 813290445 /nfs/dbraw/zinc/29/04/45/813290445.db2.gz CQOSJUAXPVZNDB-SNVBAGLBSA-N 1 2 287.791 0.783 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(N)=O)C1 ZINC001269250335 813290451 /nfs/dbraw/zinc/29/04/51/813290451.db2.gz CQOSJUAXPVZNDB-SNVBAGLBSA-N 1 2 287.791 0.783 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687769 813310160 /nfs/dbraw/zinc/31/01/60/813310160.db2.gz VYOMNUARSSDZBY-GFCCVEGCSA-N 1 2 283.335 0.910 20 30 CCEDLO C#CC[NH2+]C1(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001269535277 813407356 /nfs/dbraw/zinc/40/73/56/813407356.db2.gz FLTBOFGEDUSBSS-UHFFFAOYSA-N 1 2 269.308 0.443 20 30 CCEDLO C=CCN1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001269568653 813424983 /nfs/dbraw/zinc/42/49/83/813424983.db2.gz AMAXXBUPXNJWSC-HNNXBMFYSA-N 1 2 288.351 0.589 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(CC)CCNC2=O)C1 ZINC001269805797 813514233 /nfs/dbraw/zinc/51/42/33/813514233.db2.gz PAIPVCUQNZRQSU-HNNXBMFYSA-N 1 2 279.384 0.621 20 30 CCEDLO N#CCN1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797537 813521652 /nfs/dbraw/zinc/52/16/52/813521652.db2.gz OWNYSEGPWJNDBC-NEPJUHHUSA-N 1 2 287.367 0.791 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001270507858 813790787 /nfs/dbraw/zinc/79/07/87/813790787.db2.gz OCTQFIGEUBWMLK-LBPRGKRZSA-N 1 2 273.340 0.329 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001270620533 813841908 /nfs/dbraw/zinc/84/19/08/813841908.db2.gz NXIOIIHGRCPRMO-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001270620533 813841912 /nfs/dbraw/zinc/84/19/12/813841912.db2.gz NXIOIIHGRCPRMO-KBPBESRZSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001270638581 813865990 /nfs/dbraw/zinc/86/59/90/813865990.db2.gz OCHLRNRATHURBA-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001270638581 813866001 /nfs/dbraw/zinc/86/60/01/813866001.db2.gz OCHLRNRATHURBA-ZIAGYGMSSA-N 1 2 282.384 0.949 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001029244978 814014740 /nfs/dbraw/zinc/01/47/40/814014740.db2.gz NOGXDRUTUVFXHF-QNWHQSFQSA-N 1 2 292.383 0.298 20 30 CCEDLO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001029244978 814014745 /nfs/dbraw/zinc/01/47/45/814014745.db2.gz NOGXDRUTUVFXHF-QNWHQSFQSA-N 1 2 292.383 0.298 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038448651 814224068 /nfs/dbraw/zinc/22/40/68/814224068.db2.gz JSGDNEBJWTYZRW-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001038448651 814224077 /nfs/dbraw/zinc/22/40/77/814224077.db2.gz JSGDNEBJWTYZRW-CQSZACIVSA-N 1 2 286.379 0.975 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CC2CC(OCC)C2)C1 ZINC001271343678 814386654 /nfs/dbraw/zinc/38/66/54/814386654.db2.gz RMQWHEWMMMXWFN-UHFFFAOYSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(C)cc2F)C1 ZINC001271360991 814390665 /nfs/dbraw/zinc/39/06/65/814390665.db2.gz GIUMOGBXKRIURF-UHFFFAOYSA-N 1 2 290.338 0.934 20 30 CCEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001105419180 814621619 /nfs/dbraw/zinc/62/16/19/814621619.db2.gz JUMCQRIZDVZYID-UHFFFAOYSA-N 1 2 299.338 0.140 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001059665943 814698321 /nfs/dbraw/zinc/69/83/21/814698321.db2.gz WICHUVIPYAEAER-TXEJJXNPSA-N 1 2 297.322 0.304 20 30 CCEDLO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001059697381 814728181 /nfs/dbraw/zinc/72/81/81/814728181.db2.gz FVJDVEACVCAOIX-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001059697698 814730109 /nfs/dbraw/zinc/73/01/09/814730109.db2.gz YMVYTRRJWMUXRE-BETUJISGSA-N 1 2 296.334 0.978 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@@H](O)C1 ZINC001083660569 815628536 /nfs/dbraw/zinc/62/85/36/815628536.db2.gz FASGRVSZIKZWPQ-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@@H](O)C1 ZINC001083660569 815628541 /nfs/dbraw/zinc/62/85/41/815628541.db2.gz FASGRVSZIKZWPQ-NEPJUHHUSA-N 1 2 285.303 0.236 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105891514 815955246 /nfs/dbraw/zinc/95/52/46/815955246.db2.gz FTMFAVOXMFASJY-PWSUYJOCSA-N 1 2 294.355 0.265 20 30 CCEDLO C=CCN1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001030349330 815989279 /nfs/dbraw/zinc/98/92/79/815989279.db2.gz JKTWERDPQNXCAO-CQSZACIVSA-N 1 2 289.383 0.776 20 30 CCEDLO C=CCN1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001030349330 815989284 /nfs/dbraw/zinc/98/92/84/815989284.db2.gz JKTWERDPQNXCAO-CQSZACIVSA-N 1 2 289.383 0.776 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001030395960 816012527 /nfs/dbraw/zinc/01/25/27/816012527.db2.gz OJNKLTIUJZVDFV-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001030421472 816028796 /nfs/dbraw/zinc/02/87/96/816028796.db2.gz FMUCHGKWKWJXKU-KBPBESRZSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001030473813 816055075 /nfs/dbraw/zinc/05/50/75/816055075.db2.gz DAUIMZAMNAPGEG-UHFFFAOYSA-N 1 2 299.330 0.455 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001077471265 816062888 /nfs/dbraw/zinc/06/28/88/816062888.db2.gz BCHVUPJELFMQAQ-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001077471265 816062893 /nfs/dbraw/zinc/06/28/93/816062893.db2.gz BCHVUPJELFMQAQ-HUUCEWRRSA-N 1 2 290.338 0.932 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(OCC)n[nH]2)C1 ZINC001030502072 816070414 /nfs/dbraw/zinc/07/04/14/816070414.db2.gz MFNOHIHUNCLRHD-UHFFFAOYSA-N 1 2 262.313 0.246 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2Cl)C1 ZINC001030533352 816092512 /nfs/dbraw/zinc/09/25/12/816092512.db2.gz KYQKTKCSGYYWNP-UHFFFAOYSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001030599149 816137697 /nfs/dbraw/zinc/13/76/97/816137697.db2.gz VWSWRJLGAOOEOA-UHFFFAOYSA-N 1 2 272.352 0.726 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001030609734 816144965 /nfs/dbraw/zinc/14/49/65/816144965.db2.gz JWBIZUUOMJAEIB-UHFFFAOYSA-N 1 2 284.319 0.014 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001030649171 816183699 /nfs/dbraw/zinc/18/36/99/816183699.db2.gz LBFVZZOWKNDZND-NSHDSACASA-N 1 2 265.357 0.422 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001030716584 816246610 /nfs/dbraw/zinc/24/66/10/816246610.db2.gz GUXVZHWBQBLBIS-UHFFFAOYSA-N 1 2 297.362 0.563 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001233047625 816267829 /nfs/dbraw/zinc/26/78/29/816267829.db2.gz FODYAXFSCAGXMQ-UHFFFAOYSA-N 1 2 260.297 0.961 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001030762578 816274012 /nfs/dbraw/zinc/27/40/12/816274012.db2.gz SCMDQPTVPITKIM-UHFFFAOYSA-N 1 2 273.336 0.841 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001077498538 816299562 /nfs/dbraw/zinc/29/95/62/816299562.db2.gz JGJKAXRGCXMFQU-ZIAGYGMSSA-N 1 2 290.338 0.851 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001077498538 816299565 /nfs/dbraw/zinc/29/95/65/816299565.db2.gz JGJKAXRGCXMFQU-ZIAGYGMSSA-N 1 2 290.338 0.851 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2cncnc2)C1 ZINC001030837939 816332296 /nfs/dbraw/zinc/33/22/96/816332296.db2.gz NTZQZMOGBSGOAH-LLVKDONJSA-N 1 2 260.341 0.957 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549241 816333540 /nfs/dbraw/zinc/33/35/40/816333540.db2.gz KLMGUXACJWSDCC-UWUHSAQLSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549241 816333546 /nfs/dbraw/zinc/33/35/46/816333546.db2.gz KLMGUXACJWSDCC-UWUHSAQLSA-N 1 2 279.384 0.788 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234119518 816492939 /nfs/dbraw/zinc/49/29/39/816492939.db2.gz PEZLRYRLURNIBB-CQSZACIVSA-N 1 2 293.411 0.657 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234119518 816492945 /nfs/dbraw/zinc/49/29/45/816492945.db2.gz PEZLRYRLURNIBB-CQSZACIVSA-N 1 2 293.411 0.657 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030978572 816526433 /nfs/dbraw/zinc/52/64/33/816526433.db2.gz MRKMYNRQADFLRJ-KFWWJZLASA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001031091763 816636327 /nfs/dbraw/zinc/63/63/27/816636327.db2.gz LLXZCJMUCCGBMY-CQSZACIVSA-N 1 2 279.384 0.764 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCC)nn2)C1 ZINC001031162712 816721248 /nfs/dbraw/zinc/72/12/48/816721248.db2.gz YWMSNHIXUULBSN-UHFFFAOYSA-N 1 2 261.329 0.125 20 30 CCEDLO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598960 816820639 /nfs/dbraw/zinc/82/06/39/816820639.db2.gz USBSUQUMRRHYJL-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001031238385 816873666 /nfs/dbraw/zinc/87/36/66/816873666.db2.gz SMHSLJBEFIHOTE-UHFFFAOYSA-N 1 2 299.378 0.514 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031260173 816909852 /nfs/dbraw/zinc/90/98/52/816909852.db2.gz MRSHXDNDIVXLIJ-UHFFFAOYSA-N 1 2 268.748 0.516 20 30 CCEDLO CCN(CCNc1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829246 816940344 /nfs/dbraw/zinc/94/03/44/816940344.db2.gz JFQVCLQNXIFMAK-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001031418552 817045454 /nfs/dbraw/zinc/04/54/54/817045454.db2.gz YEIYYTBTAXBJJH-NSHDSACASA-N 1 2 274.368 0.891 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](O)C1 ZINC001083757065 817062642 /nfs/dbraw/zinc/06/26/42/817062642.db2.gz XRIRBKJESSLERI-NEPJUHHUSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](O)C1 ZINC001083757065 817062646 /nfs/dbraw/zinc/06/26/46/817062646.db2.gz XRIRBKJESSLERI-NEPJUHHUSA-N 1 2 265.313 0.198 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001031679205 817238661 /nfs/dbraw/zinc/23/86/61/817238661.db2.gz MNAFMODMQZLWOI-BXKDBHETSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001212346915 817424168 /nfs/dbraw/zinc/42/41/68/817424168.db2.gz IOKZXXLAAWKZGH-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001212346915 817424176 /nfs/dbraw/zinc/42/41/76/817424176.db2.gz IOKZXXLAAWKZGH-CHWSQXEVSA-N 1 2 297.399 0.246 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)NC)C2)cc1 ZINC001031892385 817446269 /nfs/dbraw/zinc/44/62/69/817446269.db2.gz ZOTAPTXEEDTNDV-UHFFFAOYSA-N 1 2 285.347 0.076 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031911391 817458619 /nfs/dbraw/zinc/45/86/19/817458619.db2.gz YTEQCJVGWRXURH-NSHDSACASA-N 1 2 285.775 0.265 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC3CC3)nn2)C1 ZINC001107111809 817755732 /nfs/dbraw/zinc/75/57/32/817755732.db2.gz UQNFQAZUVKDIRS-UHFFFAOYSA-N 1 2 275.356 0.737 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001212349399 817765074 /nfs/dbraw/zinc/76/50/74/817765074.db2.gz UAOQBAQBEFNMCF-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001212349399 817765083 /nfs/dbraw/zinc/76/50/83/817765083.db2.gz UAOQBAQBEFNMCF-YNEHKIRRSA-N 1 2 297.399 0.293 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)COC)nn2)C1 ZINC001107144128 817793229 /nfs/dbraw/zinc/79/32/29/817793229.db2.gz FJIYBKNTZHSOLA-NSHDSACASA-N 1 2 293.371 0.220 20 30 CCEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169342 817799409 /nfs/dbraw/zinc/79/94/09/817799409.db2.gz CTJGHACWSWNWON-UHFFFAOYSA-N 1 2 297.362 0.188 20 30 CCEDLO N#Cc1cnccc1NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001107311210 817834591 /nfs/dbraw/zinc/83/45/91/817834591.db2.gz AZLWIUFUNPKLLZ-OWOJBTEDSA-N 1 2 296.334 0.425 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCOC1 ZINC001032345510 817948400 /nfs/dbraw/zinc/94/84/00/817948400.db2.gz BBDOKPNEQQQVLM-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCOC1 ZINC001032345510 817948411 /nfs/dbraw/zinc/94/84/11/817948411.db2.gz BBDOKPNEQQQVLM-IHRRRGAJSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001077662961 817960255 /nfs/dbraw/zinc/96/02/55/817960255.db2.gz BIVJEHBEKLPUND-QJPTWQEYSA-N 1 2 262.309 0.178 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001077662961 817960260 /nfs/dbraw/zinc/96/02/60/817960260.db2.gz BIVJEHBEKLPUND-QJPTWQEYSA-N 1 2 262.309 0.178 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC2CC2)C1 ZINC001107766396 817993005 /nfs/dbraw/zinc/99/30/05/817993005.db2.gz RTOGMQKHNJOOJC-INIZCTEOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC2CC2)C1 ZINC001107766396 817993012 /nfs/dbraw/zinc/99/30/12/817993012.db2.gz RTOGMQKHNJOOJC-INIZCTEOSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799725 818018471 /nfs/dbraw/zinc/01/84/71/818018471.db2.gz LCMCDBVGORVVGM-GXTWGEPZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799725 818018479 /nfs/dbraw/zinc/01/84/79/818018479.db2.gz LCMCDBVGORVVGM-GXTWGEPZSA-N 1 2 270.373 0.805 20 30 CCEDLO Cc1cc(NC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001107814123 818030796 /nfs/dbraw/zinc/03/07/96/818030796.db2.gz AJQYTTOGJJEXDS-GFCCVEGCSA-N 1 2 298.350 0.497 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001043259028 818064804 /nfs/dbraw/zinc/06/48/04/818064804.db2.gz SGMJLTXQXMZMPU-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cnn(C)c1 ZINC001032824337 818068996 /nfs/dbraw/zinc/06/89/96/818068996.db2.gz NMTLQOSBFICKLL-XBFCOCLRSA-N 1 2 272.352 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cnn(C)c1 ZINC001032824337 818069007 /nfs/dbraw/zinc/06/90/07/818069007.db2.gz NMTLQOSBFICKLL-XBFCOCLRSA-N 1 2 272.352 0.442 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(COC)n2)C1 ZINC001044115661 818254019 /nfs/dbraw/zinc/25/40/19/818254019.db2.gz UXUVIRVUTCCQHE-UHFFFAOYSA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819045 818270013 /nfs/dbraw/zinc/27/00/13/818270013.db2.gz QZOBGVUICRGYRE-HZSPNIEDSA-N 1 2 276.311 0.492 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](O)C1 ZINC001083819045 818270017 /nfs/dbraw/zinc/27/00/17/818270017.db2.gz QZOBGVUICRGYRE-HZSPNIEDSA-N 1 2 276.311 0.492 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029783 818293769 /nfs/dbraw/zinc/29/37/69/818293769.db2.gz GYNRYORAFIXSIG-CMPLNLGQSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001090029783 818293777 /nfs/dbraw/zinc/29/37/77/818293777.db2.gz GYNRYORAFIXSIG-CMPLNLGQSA-N 1 2 299.758 0.901 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](O)C1 ZINC001083825313 818480852 /nfs/dbraw/zinc/48/08/52/818480852.db2.gz MQMKGJPVYHHSBI-NEPJUHHUSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](O)C1 ZINC001083825313 818480857 /nfs/dbraw/zinc/48/08/57/818480857.db2.gz MQMKGJPVYHHSBI-NEPJUHHUSA-N 1 2 277.324 0.035 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087664 818506342 /nfs/dbraw/zinc/50/63/42/818506342.db2.gz XTJZNIMNYSESJR-JTQLQIEISA-N 1 2 279.365 0.931 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087664 818506351 /nfs/dbraw/zinc/50/63/51/818506351.db2.gz XTJZNIMNYSESJR-JTQLQIEISA-N 1 2 279.365 0.931 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090097718 818509418 /nfs/dbraw/zinc/50/94/18/818509418.db2.gz ZOGIYCRHUNBNQT-MWLCHTKSSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC001090097718 818509426 /nfs/dbraw/zinc/50/94/26/818509426.db2.gz ZOGIYCRHUNBNQT-MWLCHTKSSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100881 818515873 /nfs/dbraw/zinc/51/58/73/818515873.db2.gz USHKCBFWPAOJNL-GHMZBOCLSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC001090100881 818515882 /nfs/dbraw/zinc/51/58/82/818515882.db2.gz USHKCBFWPAOJNL-GHMZBOCLSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101409 818523899 /nfs/dbraw/zinc/52/38/99/818523899.db2.gz YGGAVLYBXAVVQS-GXSJLCMTSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101409 818523908 /nfs/dbraw/zinc/52/39/08/818523908.db2.gz YGGAVLYBXAVVQS-GXSJLCMTSA-N 1 2 284.747 0.327 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001033483210 818795155 /nfs/dbraw/zinc/79/51/55/818795155.db2.gz GAYJTONAGZJLAR-LLVKDONJSA-N 1 2 281.335 0.580 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033483210 818795161 /nfs/dbraw/zinc/79/51/61/818795161.db2.gz GAYJTONAGZJLAR-LLVKDONJSA-N 1 2 281.335 0.580 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)[C@@H](O)C1 ZINC001083855907 818918462 /nfs/dbraw/zinc/91/84/62/818918462.db2.gz GVXUPNWXNZDDRB-CABCVRRESA-N 1 2 286.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)[C@@H](O)C1 ZINC001083855907 818918466 /nfs/dbraw/zinc/91/84/66/818918466.db2.gz GVXUPNWXNZDDRB-CABCVRRESA-N 1 2 286.331 0.125 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033777156 818937117 /nfs/dbraw/zinc/93/71/17/818937117.db2.gz STABAPBBLKNRKK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033777156 818937123 /nfs/dbraw/zinc/93/71/23/818937123.db2.gz STABAPBBLKNRKK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO N#CCCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001143194132 818980431 /nfs/dbraw/zinc/98/04/31/818980431.db2.gz LIIQQAIEODKBOS-UHFFFAOYSA-N 1 2 299.338 0.559 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090250642 819312390 /nfs/dbraw/zinc/31/23/90/819312390.db2.gz DBNSLBUVQYFGRG-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 ZINC001090250642 819312397 /nfs/dbraw/zinc/31/23/97/819312397.db2.gz DBNSLBUVQYFGRG-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108157570 819328086 /nfs/dbraw/zinc/32/80/86/819328086.db2.gz ZVSBECAKPSBKOT-OAHLLOKOSA-N 1 2 291.351 0.448 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108157570 819328093 /nfs/dbraw/zinc/32/80/93/819328093.db2.gz ZVSBECAKPSBKOT-OAHLLOKOSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2)C1 ZINC001035264659 819430798 /nfs/dbraw/zinc/43/07/98/819430798.db2.gz KVEVPUKQBCFNMM-CQSZACIVSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2)C1 ZINC001035264659 819430801 /nfs/dbraw/zinc/43/08/01/819430801.db2.gz KVEVPUKQBCFNMM-CQSZACIVSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001035291032 819438436 /nfs/dbraw/zinc/43/84/36/819438436.db2.gz XMMVRBVEHHLIMM-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001035291032 819438443 /nfs/dbraw/zinc/43/84/43/819438443.db2.gz XMMVRBVEHHLIMM-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035295187 819440865 /nfs/dbraw/zinc/44/08/65/819440865.db2.gz UVMSFYXZZVHSRG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001035295187 819440866 /nfs/dbraw/zinc/44/08/66/819440866.db2.gz UVMSFYXZZVHSRG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035276211 819443171 /nfs/dbraw/zinc/44/31/71/819443171.db2.gz WWLOSUDKCRDOQQ-CQSZACIVSA-N 1 2 273.336 0.536 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035276211 819443175 /nfs/dbraw/zinc/44/31/75/819443175.db2.gz WWLOSUDKCRDOQQ-CQSZACIVSA-N 1 2 273.336 0.536 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035297518 819444203 /nfs/dbraw/zinc/44/42/03/819444203.db2.gz CRZFDCKHKVQVNG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncnc2C)C1 ZINC001035297518 819444207 /nfs/dbraw/zinc/44/42/07/819444207.db2.gz CRZFDCKHKVQVNG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001035277727 819445009 /nfs/dbraw/zinc/44/50/09/819445009.db2.gz OFNRCOSUJIYSAZ-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001035277727 819445013 /nfs/dbraw/zinc/44/50/13/819445013.db2.gz OFNRCOSUJIYSAZ-LLVKDONJSA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035336900 819479033 /nfs/dbraw/zinc/47/90/33/819479033.db2.gz MVMZIPZTQOTYFB-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001035336900 819479037 /nfs/dbraw/zinc/47/90/37/819479037.db2.gz MVMZIPZTQOTYFB-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351281 819496072 /nfs/dbraw/zinc/49/60/72/819496072.db2.gz BKLNMAMXOYZGGD-JXQTWKCFSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351281 819496076 /nfs/dbraw/zinc/49/60/76/819496076.db2.gz BKLNMAMXOYZGGD-JXQTWKCFSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404417 819514160 /nfs/dbraw/zinc/51/41/60/819514160.db2.gz LKZHVQHLLRXODL-LLVKDONJSA-N 1 2 294.355 0.430 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404417 819514169 /nfs/dbraw/zinc/51/41/69/819514169.db2.gz LKZHVQHLLRXODL-LLVKDONJSA-N 1 2 294.355 0.430 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnco2)C1 ZINC001035462555 819536632 /nfs/dbraw/zinc/53/66/32/819536632.db2.gz FAWUAHCZLLSGNT-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnco2)C1 ZINC001035462555 819536638 /nfs/dbraw/zinc/53/66/38/819536638.db2.gz FAWUAHCZLLSGNT-LLVKDONJSA-N 1 2 263.297 0.129 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001035509731 819544815 /nfs/dbraw/zinc/54/48/15/819544815.db2.gz CVRAYKGMVAWBRW-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001035509731 819544818 /nfs/dbraw/zinc/54/48/18/819544818.db2.gz CVRAYKGMVAWBRW-CHWSQXEVSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001035509732 819545022 /nfs/dbraw/zinc/54/50/22/819545022.db2.gz CVRAYKGMVAWBRW-OLZOCXBDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001035509732 819545026 /nfs/dbraw/zinc/54/50/26/819545026.db2.gz CVRAYKGMVAWBRW-OLZOCXBDSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001035521227 819553204 /nfs/dbraw/zinc/55/32/04/819553204.db2.gz CCOGTASNBNANLT-LBPRGKRZSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001035521227 819553212 /nfs/dbraw/zinc/55/32/12/819553212.db2.gz CCOGTASNBNANLT-LBPRGKRZSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001035596647 819571593 /nfs/dbraw/zinc/57/15/93/819571593.db2.gz SSAIYUUBHAYIAJ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001035596647 819571603 /nfs/dbraw/zinc/57/16/03/819571603.db2.gz SSAIYUUBHAYIAJ-CHWSQXEVSA-N 1 2 295.383 0.000 20 30 CCEDLO N#Cc1cnc(-n2[nH]c(=O)nc2C[NH3+])c2sccc21 ZINC001168760662 819745883 /nfs/dbraw/zinc/74/58/83/819745883.db2.gz QCURRZUKYFNOTG-UHFFFAOYSA-N 1 2 272.293 0.913 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CCC3)n2)[C@@H](O)C1 ZINC001083928003 820291516 /nfs/dbraw/zinc/29/15/16/820291516.db2.gz CGLJEXGAIKTSLL-YPMHNXCESA-N 1 2 289.335 0.350 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C3CCC3)n2)[C@@H](O)C1 ZINC001083928003 820291522 /nfs/dbraw/zinc/29/15/22/820291522.db2.gz CGLJEXGAIKTSLL-YPMHNXCESA-N 1 2 289.335 0.350 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705391 820475860 /nfs/dbraw/zinc/47/58/60/820475860.db2.gz ZIWLSRDNHBRECY-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705391 820475864 /nfs/dbraw/zinc/47/58/64/820475864.db2.gz ZIWLSRDNHBRECY-NWDGAFQWSA-N 1 2 290.791 0.717 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001081325449 820728871 /nfs/dbraw/zinc/72/88/71/820728871.db2.gz HQDUDZZNTRSLNX-VXGBXAGGSA-N 1 2 264.350 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001081325449 820728876 /nfs/dbraw/zinc/72/88/76/820728876.db2.gz HQDUDZZNTRSLNX-VXGBXAGGSA-N 1 2 264.350 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@H](OC)C1 ZINC001082269316 820923621 /nfs/dbraw/zinc/92/36/21/820923621.db2.gz PZJXGIFIRJWKRV-TZMCWYRMSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@H](OC)C1 ZINC001082269316 820923624 /nfs/dbraw/zinc/92/36/24/820923624.db2.gz PZJXGIFIRJWKRV-TZMCWYRMSA-N 1 2 290.367 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001082987974 821095386 /nfs/dbraw/zinc/09/53/86/821095386.db2.gz CKFWWZKSAAKRIW-UONOGXRCSA-N 1 2 290.388 0.835 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001082987974 821095394 /nfs/dbraw/zinc/09/53/94/821095394.db2.gz CKFWWZKSAAKRIW-UONOGXRCSA-N 1 2 290.388 0.835 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C)[nH]3)[C@H]2C1 ZINC001083023895 821113047 /nfs/dbraw/zinc/11/30/47/821113047.db2.gz SRZJHFNWCRRMJM-UONOGXRCSA-N 1 2 290.367 0.819 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C)[nH]3)[C@H]2C1 ZINC001083023895 821113049 /nfs/dbraw/zinc/11/30/49/821113049.db2.gz SRZJHFNWCRRMJM-UONOGXRCSA-N 1 2 290.367 0.819 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCOCC3)[C@H]2C1 ZINC001083065086 821133691 /nfs/dbraw/zinc/13/36/91/821133691.db2.gz PCZQLYWQYFBLCE-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCOCC3)[C@H]2C1 ZINC001083065086 821133695 /nfs/dbraw/zinc/13/36/95/821133695.db2.gz PCZQLYWQYFBLCE-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083952210 821163808 /nfs/dbraw/zinc/16/38/08/821163808.db2.gz DIOCXOYHVQSVIT-UPJWGTAASA-N 1 2 292.404 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083952210 821163810 /nfs/dbraw/zinc/16/38/10/821163810.db2.gz DIOCXOYHVQSVIT-UPJWGTAASA-N 1 2 292.404 0.955 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083999280 821169592 /nfs/dbraw/zinc/16/95/92/821169592.db2.gz JCEOITRWPQVXNX-CABCVRRESA-N 1 2 290.338 0.341 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083999280 821169597 /nfs/dbraw/zinc/16/95/97/821169597.db2.gz JCEOITRWPQVXNX-CABCVRRESA-N 1 2 290.338 0.341 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001084100304 821200602 /nfs/dbraw/zinc/20/06/02/821200602.db2.gz XOYQXPGXDCCBML-MJBXVCDLSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001084100304 821200611 /nfs/dbraw/zinc/20/06/11/821200611.db2.gz XOYQXPGXDCCBML-MJBXVCDLSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccns3)[C@@H]2C1 ZINC001084382797 821280159 /nfs/dbraw/zinc/28/01/59/821280159.db2.gz MSSBSMRMDTUTFR-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccns3)[C@@H]2C1 ZINC001084382797 821280165 /nfs/dbraw/zinc/28/01/65/821280165.db2.gz MSSBSMRMDTUTFR-GHMZBOCLSA-N 1 2 261.350 0.923 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001084574242 821314577 /nfs/dbraw/zinc/31/45/77/821314577.db2.gz WPINXBMHLZGFDN-JHJVBQTASA-N 1 2 293.411 0.995 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001084574242 821314585 /nfs/dbraw/zinc/31/45/85/821314585.db2.gz WPINXBMHLZGFDN-JHJVBQTASA-N 1 2 293.411 0.995 20 30 CCEDLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230818982 821453365 /nfs/dbraw/zinc/45/33/65/821453365.db2.gz JNTRMLRGPZXRPS-MNOVXSKESA-N 1 2 298.412 0.040 20 30 CCEDLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230818982 821453371 /nfs/dbraw/zinc/45/33/71/821453371.db2.gz JNTRMLRGPZXRPS-MNOVXSKESA-N 1 2 298.412 0.040 20 30 CCEDLO Cn1cc(-c2[nH]ncc2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000823674868 821530318 /nfs/dbraw/zinc/53/03/18/821530318.db2.gz FBVWHQPJDLEQQW-UHFFFAOYSA-N 1 2 286.339 0.105 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085468337 821723093 /nfs/dbraw/zinc/72/30/93/821723093.db2.gz NTJYLCIDFIYBAP-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001085468337 821723098 /nfs/dbraw/zinc/72/30/98/821723098.db2.gz NTJYLCIDFIYBAP-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001085499778 821747383 /nfs/dbraw/zinc/74/73/83/821747383.db2.gz LAZVXDUUWKKYEE-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001085499778 821747388 /nfs/dbraw/zinc/74/73/88/821747388.db2.gz LAZVXDUUWKKYEE-JTQLQIEISA-N 1 2 264.354 0.708 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085543429 821775885 /nfs/dbraw/zinc/77/58/85/821775885.db2.gz XDPGQWMKCJDBRF-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085543429 821775891 /nfs/dbraw/zinc/77/58/91/821775891.db2.gz XDPGQWMKCJDBRF-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085599459 821842955 /nfs/dbraw/zinc/84/29/55/821842955.db2.gz RQVRGXGEUQWFEZ-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085599459 821842963 /nfs/dbraw/zinc/84/29/63/821842963.db2.gz RQVRGXGEUQWFEZ-NSHDSACASA-N 1 2 274.324 0.265 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001085630637 821861178 /nfs/dbraw/zinc/86/11/78/821861178.db2.gz AAKVBTCAOBZTFP-LLVKDONJSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001085626589 821863920 /nfs/dbraw/zinc/86/39/20/821863920.db2.gz PNNGJIJUMOHKIQ-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001085626589 821863927 /nfs/dbraw/zinc/86/39/27/821863927.db2.gz PNNGJIJUMOHKIQ-CYBMUJFWSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085650209 821879342 /nfs/dbraw/zinc/87/93/42/821879342.db2.gz KKHXRFYTJGTHTM-MCIONIFRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085650209 821879350 /nfs/dbraw/zinc/87/93/50/821879350.db2.gz KKHXRFYTJGTHTM-MCIONIFRSA-N 1 2 264.369 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001085676275 821886596 /nfs/dbraw/zinc/88/65/96/821886596.db2.gz LYERKOASZFQMER-KGLIPLIRSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001085676275 821886604 /nfs/dbraw/zinc/88/66/04/821886604.db2.gz LYERKOASZFQMER-KGLIPLIRSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC2CC2)nn1 ZINC001085896275 822006018 /nfs/dbraw/zinc/00/60/18/822006018.db2.gz ZFTDDLKBKDLVJM-ZDUSSCGKSA-N 1 2 287.367 0.468 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC2CC2)nn1 ZINC001085896275 822006025 /nfs/dbraw/zinc/00/60/25/822006025.db2.gz ZFTDDLKBKDLVJM-ZDUSSCGKSA-N 1 2 287.367 0.468 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108222379 822027642 /nfs/dbraw/zinc/02/76/42/822027642.db2.gz AJODRKQAMVIRSR-VNHYZAJKSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001108222379 822027649 /nfs/dbraw/zinc/02/76/49/822027649.db2.gz AJODRKQAMVIRSR-VNHYZAJKSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)nn2)C1 ZINC001108309882 822353095 /nfs/dbraw/zinc/35/30/95/822353095.db2.gz CAQAFXQNIRYXOP-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)nn2)C1 ZINC001108309882 822353103 /nfs/dbraw/zinc/35/31/03/822353103.db2.gz CAQAFXQNIRYXOP-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO C[NH+]1CC(NC(=O)[C@H](C#N)Cc2ccc(O)cc2)C1 ZINC001183616024 844058533 /nfs/dbraw/zinc/05/85/33/844058533.db2.gz KIIHHSMTBFZHBS-NSHDSACASA-N 1 2 259.309 0.505 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001108377105 835992742 /nfs/dbraw/zinc/99/27/42/835992742.db2.gz WXQNTDMFZHWKQO-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001108377105 835992756 /nfs/dbraw/zinc/99/27/56/835992756.db2.gz WXQNTDMFZHWKQO-HNNXBMFYSA-N 1 2 291.351 0.794 20 30 CCEDLO N#Cc1nc[nH]c1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183928843 844122192 /nfs/dbraw/zinc/12/21/92/844122192.db2.gz IFLVJIFAPNQGRM-UHFFFAOYSA-N 1 2 256.269 0.830 20 30 CCEDLO C=CC[NH+]1CCN([C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001169615386 836400332 /nfs/dbraw/zinc/40/03/32/836400332.db2.gz OMCZDQJXIWGHIB-CQSZACIVSA-N 1 2 251.374 0.801 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 ZINC001108527429 836423573 /nfs/dbraw/zinc/42/35/73/836423573.db2.gz IPRYPGSHWCBAHP-NWDGAFQWSA-N 1 2 290.367 0.123 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCF)CC2=O)C1 ZINC001108565044 836447416 /nfs/dbraw/zinc/44/74/16/836447416.db2.gz UGIBLDOTHMDYBR-LLVKDONJSA-N 1 2 283.347 0.323 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108848909 836542519 /nfs/dbraw/zinc/54/25/19/836542519.db2.gz XJTBXVABWOWNMA-AGIUHOORSA-N 1 2 290.367 0.148 20 30 CCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108848909 836542527 /nfs/dbraw/zinc/54/25/27/836542527.db2.gz XJTBXVABWOWNMA-AGIUHOORSA-N 1 2 290.367 0.148 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC ZINC001109072294 836609844 /nfs/dbraw/zinc/60/98/44/836609844.db2.gz CTYPSNYAJQJKBO-AGIUHOORSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC ZINC001109072294 836609849 /nfs/dbraw/zinc/60/98/49/836609849.db2.gz CTYPSNYAJQJKBO-AGIUHOORSA-N 1 2 295.383 0.047 20 30 CCEDLO CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001109472398 836689151 /nfs/dbraw/zinc/68/91/51/836689151.db2.gz KOIZIOXFLWFJSK-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCCOC)CC1 ZINC001112682547 836858989 /nfs/dbraw/zinc/85/89/89/836858989.db2.gz UHIWCIOIYHUIRJ-UHFFFAOYSA-N 1 2 252.358 0.971 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCN2C(=O)CCC2=O)CC1 ZINC001112922727 836967895 /nfs/dbraw/zinc/96/78/95/836967895.db2.gz SFBHNWYEODCSNX-UHFFFAOYSA-N 1 2 293.367 0.246 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001113586639 837168141 /nfs/dbraw/zinc/16/81/41/837168141.db2.gz WMSPPDXLPWSCPN-LLVKDONJSA-N 1 2 268.361 0.154 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001113676525 837192689 /nfs/dbraw/zinc/19/26/89/837192689.db2.gz WEQSDHALEXFYPI-UHFFFAOYSA-N 1 2 268.361 0.024 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1nccnc1C#N ZINC001113898553 837357850 /nfs/dbraw/zinc/35/78/50/837357850.db2.gz WZEYDRMITPVTGN-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[N@@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001184787556 844286741 /nfs/dbraw/zinc/28/67/41/844286741.db2.gz QWAYVOMSXOACAX-LLVKDONJSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[N@H+](C)C[C@@H]2C(=O)OC)C1 ZINC001184787556 844286749 /nfs/dbraw/zinc/28/67/49/844286749.db2.gz QWAYVOMSXOACAX-LLVKDONJSA-N 1 2 266.341 0.658 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC(=O)NCC#N ZINC001131742120 838199796 /nfs/dbraw/zinc/19/97/96/838199796.db2.gz APQHIPRQMZQDLQ-ZYHUDNBSSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC(=O)NCC#N ZINC001131742120 838199799 /nfs/dbraw/zinc/19/97/99/838199799.db2.gz APQHIPRQMZQDLQ-ZYHUDNBSSA-N 1 2 278.356 0.005 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001131867486 838254010 /nfs/dbraw/zinc/25/40/10/838254010.db2.gz QMLQOKHHJDAYQD-ZDUSSCGKSA-N 1 2 298.412 0.973 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001131867541 838254529 /nfs/dbraw/zinc/25/45/29/838254529.db2.gz RNKBMJQRCXXRBY-AWEZNQCLSA-N 1 2 296.371 0.813 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132046006 838309651 /nfs/dbraw/zinc/30/96/51/838309651.db2.gz LHVJNOANVTXKMI-TZMCWYRMSA-N 1 2 291.395 0.505 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132046006 838309658 /nfs/dbraw/zinc/30/96/58/838309658.db2.gz LHVJNOANVTXKMI-TZMCWYRMSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132101313 838318004 /nfs/dbraw/zinc/31/80/04/838318004.db2.gz JOTVJEURCWFHOM-QWHCGFSZSA-N 1 2 291.395 0.634 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132101313 838318011 /nfs/dbraw/zinc/31/80/11/838318011.db2.gz JOTVJEURCWFHOM-QWHCGFSZSA-N 1 2 291.395 0.634 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CN1CC#N ZINC001132458892 838410250 /nfs/dbraw/zinc/41/02/50/838410250.db2.gz YTUYSDMGYZASCZ-CHWSQXEVSA-N 1 2 289.383 0.845 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132591325 838445802 /nfs/dbraw/zinc/44/58/02/838445802.db2.gz LXZZWJBRMHKBBG-UHFFFAOYSA-N 1 2 264.329 0.777 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2cnsn2)c1 ZINC001133592953 838677085 /nfs/dbraw/zinc/67/70/85/838677085.db2.gz HLCFARSULGAHDR-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO CCOC(=O)[C@H](C#N)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159323546 839129232 /nfs/dbraw/zinc/12/92/32/839129232.db2.gz KWXSSXLCRRBVFK-ZDUSSCGKSA-N 1 2 299.334 0.856 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)NCC#N ZINC001136030805 839500265 /nfs/dbraw/zinc/50/02/65/839500265.db2.gz CDHNTKXJKWGQDZ-NXEZZACHSA-N 1 2 263.345 0.657 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553276 839637969 /nfs/dbraw/zinc/63/79/69/839637969.db2.gz LNJYKXAYZDWPBM-QWRGUYRKSA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553276 839637974 /nfs/dbraw/zinc/63/79/74/839637974.db2.gz LNJYKXAYZDWPBM-QWRGUYRKSA-N 1 2 282.319 0.290 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090651127 839704937 /nfs/dbraw/zinc/70/49/37/839704937.db2.gz PLWDMPCSHFKUGJ-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090651127 839704944 /nfs/dbraw/zinc/70/49/44/839704944.db2.gz PLWDMPCSHFKUGJ-CMPLNLGQSA-N 1 2 296.758 0.394 20 30 CCEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001090685572 839733966 /nfs/dbraw/zinc/73/39/66/839733966.db2.gz FVZTXITUGLQKKA-CKYFFXLPSA-N 1 2 273.340 0.886 20 30 CCEDLO C#CC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001143908098 839891539 /nfs/dbraw/zinc/89/15/39/839891539.db2.gz DJKVBXNMOUIUJS-UHFFFAOYSA-N 1 2 275.356 0.484 20 30 CCEDLO C#CC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001143908098 839891548 /nfs/dbraw/zinc/89/15/48/839891548.db2.gz DJKVBXNMOUIUJS-UHFFFAOYSA-N 1 2 275.356 0.484 20 30 CCEDLO CC1(C)CC(=O)C=C(NC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186055264 844504674 /nfs/dbraw/zinc/50/46/74/844504674.db2.gz NQKCRSKUNUESHD-NSHDSACASA-N 1 2 266.341 0.442 20 30 CCEDLO CC1(C)CC(=O)C=C(NC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186055264 844504678 /nfs/dbraw/zinc/50/46/78/844504678.db2.gz NQKCRSKUNUESHD-NSHDSACASA-N 1 2 266.341 0.442 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001186630599 844578351 /nfs/dbraw/zinc/57/83/51/844578351.db2.gz SGUAFAFDELLZBD-VHSXEESVSA-N 1 2 287.310 0.086 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001186630599 844578354 /nfs/dbraw/zinc/57/83/54/844578354.db2.gz SGUAFAFDELLZBD-VHSXEESVSA-N 1 2 287.310 0.086 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnco1)c1nccn12 ZINC001092385394 841011648 /nfs/dbraw/zinc/01/16/48/841011648.db2.gz SOTMDKZXQSWZNP-NSHDSACASA-N 1 2 299.334 0.943 20 30 CCEDLO C#CCN1CC2(C[NH+](CCc3cccs3)C2)OCC1=O ZINC001273532120 844627061 /nfs/dbraw/zinc/62/70/61/844627061.db2.gz GEYUBDWUUSQLCE-UHFFFAOYSA-N 1 2 290.388 0.837 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001186977245 844631693 /nfs/dbraw/zinc/63/16/93/844631693.db2.gz LGTSFACCLGIUCF-UKRRQHHQSA-N 1 2 284.363 0.928 20 30 CCEDLO N#CCN1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851448 841397118 /nfs/dbraw/zinc/39/71/18/841397118.db2.gz LVUZOVPWFRLJQL-NWDGAFQWSA-N 1 2 273.340 0.399 20 30 CCEDLO Cc1cc(C#N)nc(NCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001093829398 841469007 /nfs/dbraw/zinc/46/90/07/841469007.db2.gz IJQCRTNWLNVDDE-UHFFFAOYSA-N 1 2 285.311 0.151 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093892906 841488873 /nfs/dbraw/zinc/48/88/73/841488873.db2.gz ITJAWRWCOJJEBJ-SNVBAGLBSA-N 1 2 262.313 0.351 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC3CCC3)CC2=O)C1 ZINC001094718170 841698852 /nfs/dbraw/zinc/69/88/52/841698852.db2.gz XIEKUMJWTREEDE-CYBMUJFWSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3CCCC3)CC2=O)C1 ZINC001094695121 841707107 /nfs/dbraw/zinc/70/71/07/841707107.db2.gz MCZUGIVOUVTTMH-CYBMUJFWSA-N 1 2 291.395 0.764 20 30 CCEDLO COC(=O)[C@@H]1CCC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001172614033 841943535 /nfs/dbraw/zinc/94/35/35/841943535.db2.gz YYLWQGBVVKSFJV-GRYCIOLGSA-N 1 2 251.330 0.516 20 30 CCEDLO C=C[C@H]1C[C@@]1(NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001176837002 842422693 /nfs/dbraw/zinc/42/26/93/842422693.db2.gz VTQWDMFPJCXBIP-ZANVPECISA-N 1 2 263.297 0.576 20 30 CCEDLO N#CC[C@@H](O)C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001176927233 842452507 /nfs/dbraw/zinc/45/25/07/842452507.db2.gz PNAPGIVHAPSFDA-SKDRFNHKSA-N 1 2 256.252 0.862 20 30 CCEDLO CCc1[nH]c(CNC(=O)[C@]2(C#N)CCCOC2)c[nH+]1 ZINC001178669411 842894114 /nfs/dbraw/zinc/89/41/14/842894114.db2.gz IXIZDNXCMGLVTP-ZDUSSCGKSA-N 1 2 262.313 0.909 20 30 CCEDLO CCc1[nH]cc(CNC(=O)[C@]2(C#N)CCCOC2)[nH+]1 ZINC001178669411 842894119 /nfs/dbraw/zinc/89/41/19/842894119.db2.gz IXIZDNXCMGLVTP-ZDUSSCGKSA-N 1 2 262.313 0.909 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001180673559 843244928 /nfs/dbraw/zinc/24/49/28/843244928.db2.gz PBWJPDVUGOAWNO-LBPRGKRZSA-N 1 2 259.313 0.457 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001180673559 843244935 /nfs/dbraw/zinc/24/49/35/843244935.db2.gz PBWJPDVUGOAWNO-LBPRGKRZSA-N 1 2 259.313 0.457 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccccc1C#N ZINC001181805856 843622135 /nfs/dbraw/zinc/62/21/35/843622135.db2.gz PAFAYGCWAUFBAQ-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccccc1C#N ZINC001181805856 843622140 /nfs/dbraw/zinc/62/21/40/843622140.db2.gz PAFAYGCWAUFBAQ-CYBMUJFWSA-N 1 2 287.363 0.938 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC)C2 ZINC001110258105 843750287 /nfs/dbraw/zinc/75/02/87/843750287.db2.gz ZNNCODHKRXUUJF-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC)C2 ZINC001110258105 843750292 /nfs/dbraw/zinc/75/02/92/843750292.db2.gz ZNNCODHKRXUUJF-UPJWGTAASA-N 1 2 295.383 0.047 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)CNCC#N ZINC001182996843 843946768 /nfs/dbraw/zinc/94/67/68/843946768.db2.gz IJYTXPGFBARXIW-BXUZGUMPSA-N 1 2 275.356 0.550 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110395111 844738139 /nfs/dbraw/zinc/73/81/39/844738139.db2.gz WHXCHVCQPHRXMR-KKOKHZNYSA-N 1 2 278.356 0.004 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110395111 844738146 /nfs/dbraw/zinc/73/81/46/844738146.db2.gz WHXCHVCQPHRXMR-KKOKHZNYSA-N 1 2 278.356 0.004 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(=O)OC)cn2)CC1 ZINC001190314579 845386570 /nfs/dbraw/zinc/38/65/70/845386570.db2.gz GPKFEOQIOGGCSE-UHFFFAOYSA-N 1 2 289.335 0.812 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001192827946 845915806 /nfs/dbraw/zinc/91/58/06/845915806.db2.gz WMJBIULUGNRCCH-ZCCWYDRZSA-N 1 2 268.744 0.314 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001192827946 845915810 /nfs/dbraw/zinc/91/58/10/845915810.db2.gz WMJBIULUGNRCCH-ZCCWYDRZSA-N 1 2 268.744 0.314 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001193003015 845953013 /nfs/dbraw/zinc/95/30/13/845953013.db2.gz SMTVTDYMIZJZSD-LBPRGKRZSA-N 1 2 280.353 0.099 20 30 CCEDLO N#CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001193003015 845953016 /nfs/dbraw/zinc/95/30/16/845953016.db2.gz SMTVTDYMIZJZSD-LBPRGKRZSA-N 1 2 280.353 0.099 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001193094876 845992581 /nfs/dbraw/zinc/99/25/81/845992581.db2.gz NIQKMFMIIUINOG-VIFPVBQESA-N 1 2 271.346 0.098 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001193178537 846025120 /nfs/dbraw/zinc/02/51/20/846025120.db2.gz KKOKRNQNQONKBY-WDEREUQCSA-N 1 2 280.353 0.492 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194739018 846364536 /nfs/dbraw/zinc/36/45/36/846364536.db2.gz HUTWBXMYKFYVRH-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194739018 846364549 /nfs/dbraw/zinc/36/45/49/846364549.db2.gz HUTWBXMYKFYVRH-GFCCVEGCSA-N 1 2 297.424 0.022 20 30 CCEDLO CC/C(C)=C/C(=O)N1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001195761461 846611502 /nfs/dbraw/zinc/61/15/02/846611502.db2.gz MIEZTCQMSJURCO-ACCUITESSA-N 1 2 292.383 0.517 20 30 CCEDLO CC/C(C)=C/C(=O)N1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001195761461 846611505 /nfs/dbraw/zinc/61/15/05/846611505.db2.gz MIEZTCQMSJURCO-ACCUITESSA-N 1 2 292.383 0.517 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001195750236 846621121 /nfs/dbraw/zinc/62/11/21/846621121.db2.gz GPLHDJDAXWSKQD-NSHDSACASA-N 1 2 257.293 0.794 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CC[C@H]3C2)c(O)c1 ZINC001195750236 846621124 /nfs/dbraw/zinc/62/11/24/846621124.db2.gz GPLHDJDAXWSKQD-NSHDSACASA-N 1 2 257.293 0.794 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C(=O)OC)c2)CC1 ZINC001197043604 846831051 /nfs/dbraw/zinc/83/10/51/846831051.db2.gz FGCDPIVFJBUHCA-UHFFFAOYSA-N 1 2 289.335 0.812 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001199331345 847304107 /nfs/dbraw/zinc/30/41/07/847304107.db2.gz NOKRTOODSVQYIW-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001199331345 847304113 /nfs/dbraw/zinc/30/41/13/847304113.db2.gz NOKRTOODSVQYIW-MGPQQGTHSA-N 1 2 282.384 0.232 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001199331637 847304316 /nfs/dbraw/zinc/30/43/16/847304316.db2.gz RGGDNQCAUNJJLG-VWLQNONNSA-N 1 2 288.775 0.491 20 30 CCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001199331637 847304328 /nfs/dbraw/zinc/30/43/28/847304328.db2.gz RGGDNQCAUNJJLG-VWLQNONNSA-N 1 2 288.775 0.491 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001110579948 847888310 /nfs/dbraw/zinc/88/83/10/847888310.db2.gz QGSALHUXIXSZIV-UTUOFQBUSA-N 1 2 290.367 0.148 20 30 CCEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001110579948 847888318 /nfs/dbraw/zinc/88/83/18/847888318.db2.gz QGSALHUXIXSZIV-UTUOFQBUSA-N 1 2 290.367 0.148 20 30 CCEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001252483266 847982858 /nfs/dbraw/zinc/98/28/58/847982858.db2.gz RXORKIZEKONBQB-QWHCGFSZSA-N 1 2 287.356 0.108 20 30 CCEDLO CC(C)CN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274040460 848314949 /nfs/dbraw/zinc/31/49/49/848314949.db2.gz PDTNCIJCXFRCTR-UHFFFAOYSA-N 1 2 265.357 0.859 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274614907 848523421 /nfs/dbraw/zinc/52/34/21/848523421.db2.gz OABITVMARBYTBN-CQSZACIVSA-N 1 2 293.367 0.140 20 30 CCEDLO C=CCC[C@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001274629287 848526357 /nfs/dbraw/zinc/52/63/57/848526357.db2.gz ZYOCMLSZLUYHSK-AWEZNQCLSA-N 1 2 296.411 0.883 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3cccc(C#N)n3)C2)C1 ZINC001275606132 848773509 /nfs/dbraw/zinc/77/35/09/848773509.db2.gz WRHYBHNNKRPTKL-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@H]1CNCC#N ZINC001275806683 848830079 /nfs/dbraw/zinc/83/00/79/848830079.db2.gz PCRIANUQMVZXKO-JSGCOSHPSA-N 1 2 289.383 0.751 20 30 CCEDLO C=C(C)CC[NH+]1CC(CCO)(NC(=O)C(F)F)C1 ZINC001276020825 848892549 /nfs/dbraw/zinc/89/25/49/848892549.db2.gz FLOORNAKXGSVBE-UHFFFAOYSA-N 1 2 262.300 0.771 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)Cc2ccoc2)C1 ZINC001276044169 848908693 /nfs/dbraw/zinc/90/86/93/848908693.db2.gz OGSHTUGIFJXJEL-UHFFFAOYSA-N 1 2 276.336 0.398 20 30 CCEDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccncc1C#N ZINC001095617252 848999247 /nfs/dbraw/zinc/99/92/47/848999247.db2.gz AFLWRJIJXNSTKJ-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110936342 849029999 /nfs/dbraw/zinc/02/99/99/849029999.db2.gz IMBYLHXMGQFYJO-LPWJVIDDSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110936342 849030001 /nfs/dbraw/zinc/03/00/01/849030001.db2.gz IMBYLHXMGQFYJO-LPWJVIDDSA-N 1 2 279.384 0.796 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111046481 849054288 /nfs/dbraw/zinc/05/42/88/849054288.db2.gz PGKGVEOLVLJEPK-MCIONIFRSA-N 1 2 287.367 0.482 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001111046481 849054295 /nfs/dbraw/zinc/05/42/95/849054295.db2.gz PGKGVEOLVLJEPK-MCIONIFRSA-N 1 2 287.367 0.482 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396804 849057405 /nfs/dbraw/zinc/05/74/05/849057405.db2.gz UNELYIKBSJEJLJ-NSHDSACASA-N 1 2 276.340 0.980 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396804 849057412 /nfs/dbraw/zinc/05/74/12/849057412.db2.gz UNELYIKBSJEJLJ-NSHDSACASA-N 1 2 276.340 0.980 20 30 CCEDLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001037990129 849625064 /nfs/dbraw/zinc/62/50/64/849625064.db2.gz JZSPZFIQPODUHI-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001038631571 849740762 /nfs/dbraw/zinc/74/07/62/849740762.db2.gz LIVCWWLNAPSQBP-ZDUSSCGKSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001038631571 849740765 /nfs/dbraw/zinc/74/07/65/849740765.db2.gz LIVCWWLNAPSQBP-ZDUSSCGKSA-N 1 2 299.365 0.787 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038169517 849804914 /nfs/dbraw/zinc/80/49/14/849804914.db2.gz IODKOZBTJOGALM-STQMWFEESA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038169517 849804921 /nfs/dbraw/zinc/80/49/21/849804921.db2.gz IODKOZBTJOGALM-STQMWFEESA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038310347 849846802 /nfs/dbraw/zinc/84/68/02/849846802.db2.gz HZRNQRDXQSWDJL-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038310347 849846809 /nfs/dbraw/zinc/84/68/09/849846809.db2.gz HZRNQRDXQSWDJL-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038400687 849878765 /nfs/dbraw/zinc/87/87/65/849878765.db2.gz MYWANCHQYNDHAS-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001038400687 849878772 /nfs/dbraw/zinc/87/87/72/849878772.db2.gz MYWANCHQYNDHAS-LBPRGKRZSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038424268 849890674 /nfs/dbraw/zinc/89/06/74/849890674.db2.gz MGRGJKDGTIAYSE-GXTWGEPZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001038424268 849890682 /nfs/dbraw/zinc/89/06/82/849890682.db2.gz MGRGJKDGTIAYSE-GXTWGEPZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038488834 849920601 /nfs/dbraw/zinc/92/06/01/849920601.db2.gz HPTJGQMHBSYGQS-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001038488834 849920608 /nfs/dbraw/zinc/92/06/08/849920608.db2.gz HPTJGQMHBSYGQS-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 ZINC001038552665 849940802 /nfs/dbraw/zinc/94/08/02/849940802.db2.gz WXBKSYVNNWHYJY-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 ZINC001038552665 849940811 /nfs/dbraw/zinc/94/08/11/849940811.db2.gz WXBKSYVNNWHYJY-LLVKDONJSA-N 1 2 275.308 0.206 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@H](CC)C(N)=O)cc1 ZINC001038581938 849948648 /nfs/dbraw/zinc/94/86/48/849948648.db2.gz MWWZRZDWDXFGEW-LSDHHAIUSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](CC)C(N)=O)cc1 ZINC001038581938 849948661 /nfs/dbraw/zinc/94/86/61/849948661.db2.gz MWWZRZDWDXFGEW-LSDHHAIUSA-N 1 2 299.374 0.736 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038760661 850007162 /nfs/dbraw/zinc/00/71/62/850007162.db2.gz JIVGKVXIQRDLNC-LBPRGKRZSA-N 1 2 290.367 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038760661 850007171 /nfs/dbraw/zinc/00/71/71/850007171.db2.gz JIVGKVXIQRDLNC-LBPRGKRZSA-N 1 2 290.367 0.565 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038857442 850052458 /nfs/dbraw/zinc/05/24/58/850052458.db2.gz XVKQVSGAAKEOHG-GFCCVEGCSA-N 1 2 275.356 0.605 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001038857442 850052469 /nfs/dbraw/zinc/05/24/69/850052469.db2.gz XVKQVSGAAKEOHG-GFCCVEGCSA-N 1 2 275.356 0.605 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038868487 850056573 /nfs/dbraw/zinc/05/65/73/850056573.db2.gz WYEKEZMURIYJPU-LBPRGKRZSA-N 1 2 273.340 0.125 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038868487 850056587 /nfs/dbraw/zinc/05/65/87/850056587.db2.gz WYEKEZMURIYJPU-LBPRGKRZSA-N 1 2 273.340 0.125 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001038910216 850079682 /nfs/dbraw/zinc/07/96/82/850079682.db2.gz YSULAQSAOICAGG-AAEUAGOBSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001038910216 850079692 /nfs/dbraw/zinc/07/96/92/850079692.db2.gz YSULAQSAOICAGG-AAEUAGOBSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001038923633 850089052 /nfs/dbraw/zinc/08/90/52/850089052.db2.gz ZTLZAEUXVNTTNE-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001038923633 850089054 /nfs/dbraw/zinc/08/90/54/850089054.db2.gz ZTLZAEUXVNTTNE-OLZOCXBDSA-N 1 2 277.368 0.069 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#CC)nc1 ZINC001038931090 850092032 /nfs/dbraw/zinc/09/20/32/850092032.db2.gz KZZXPCQCXSUSQA-CQSZACIVSA-N 1 2 267.332 0.890 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)nc1 ZINC001038931090 850092044 /nfs/dbraw/zinc/09/20/44/850092044.db2.gz KZZXPCQCXSUSQA-CQSZACIVSA-N 1 2 267.332 0.890 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039016587 850122377 /nfs/dbraw/zinc/12/23/77/850122377.db2.gz JQIKCJCPQOPXAI-CYBMUJFWSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039016587 850122389 /nfs/dbraw/zinc/12/23/89/850122389.db2.gz JQIKCJCPQOPXAI-CYBMUJFWSA-N 1 2 271.320 0.223 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1COCC2 ZINC001039037249 850132442 /nfs/dbraw/zinc/13/24/42/850132442.db2.gz XPNNQYKXFQKZAX-JTQLQIEISA-N 1 2 277.324 0.737 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1COCC2 ZINC001039037249 850132443 /nfs/dbraw/zinc/13/24/43/850132443.db2.gz XPNNQYKXFQKZAX-JTQLQIEISA-N 1 2 277.324 0.737 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001039380361 850181938 /nfs/dbraw/zinc/18/19/38/850181938.db2.gz USXHIAYTTYHLPO-OLZOCXBDSA-N 1 2 298.408 0.282 20 30 CCEDLO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001039380361 850181946 /nfs/dbraw/zinc/18/19/46/850181946.db2.gz USXHIAYTTYHLPO-OLZOCXBDSA-N 1 2 298.408 0.282 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042174398 850586730 /nfs/dbraw/zinc/58/67/30/850586730.db2.gz WWSOHFOREWRTHT-ZIAGYGMSSA-N 1 2 287.367 0.720 20 30 CCEDLO N#CCN1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042285898 850609456 /nfs/dbraw/zinc/60/94/56/850609456.db2.gz SQHGWEJXNAKBAP-NEPJUHHUSA-N 1 2 273.340 0.399 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001042602068 850709004 /nfs/dbraw/zinc/70/90/04/850709004.db2.gz JWJBCAYSGGASPE-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628286 850717610 /nfs/dbraw/zinc/71/76/10/850717610.db2.gz FFZWIXLFVSPDCM-SNVBAGLBSA-N 1 2 276.340 0.677 20 30 CCEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042637838 850719178 /nfs/dbraw/zinc/71/91/78/850719178.db2.gz UWLDNWLCHBHLBP-UHFFFAOYSA-N 1 2 298.350 0.576 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001042829197 850764652 /nfs/dbraw/zinc/76/46/52/850764652.db2.gz XBCXXXFQPDIGDY-CYBMUJFWSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001043530669 850894354 /nfs/dbraw/zinc/89/43/54/850894354.db2.gz SKBQDVIEUNPJNE-UHFFFAOYSA-N 1 2 250.302 0.068 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001043914376 850963498 /nfs/dbraw/zinc/96/34/98/850963498.db2.gz BMMSWXOFNYGTCK-ZIAGYGMSSA-N 1 2 286.379 0.690 20 30 CCEDLO C=C(Cl)CN1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043978403 850976416 /nfs/dbraw/zinc/97/64/16/850976416.db2.gz WIVHYWKXHWTARF-UHFFFAOYSA-N 1 2 268.748 0.847 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001043997829 850981959 /nfs/dbraw/zinc/98/19/59/850981959.db2.gz KRWUABMFUQUUFJ-RYUDHWBXSA-N 1 2 279.384 0.607 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nncn3c2)C1 ZINC001044046651 850993675 /nfs/dbraw/zinc/99/36/75/850993675.db2.gz UDKZYPXPGAKUIB-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044576307 851125736 /nfs/dbraw/zinc/12/57/36/851125736.db2.gz AICJEXZCROGWEF-RYUDHWBXSA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN(CC#N)C1 ZINC001046429265 851500451 /nfs/dbraw/zinc/50/04/51/851500451.db2.gz RCAAQZNGASGQAT-DOMZBBRYSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN(CC#N)C1 ZINC001046433513 851501346 /nfs/dbraw/zinc/50/13/46/851501346.db2.gz GTHYOINEKOKBMP-DOMZBBRYSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001047285452 851695750 /nfs/dbraw/zinc/69/57/50/851695750.db2.gz FJWWEULLPFFYGI-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001047285452 851695754 /nfs/dbraw/zinc/69/57/54/851695754.db2.gz FJWWEULLPFFYGI-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2C)C1 ZINC001047332898 851722283 /nfs/dbraw/zinc/72/22/83/851722283.db2.gz GUCGRIJOCWSGBC-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2C)C1 ZINC001047332898 851722294 /nfs/dbraw/zinc/72/22/94/851722294.db2.gz GUCGRIJOCWSGBC-KBPBESRZSA-N 1 2 273.336 0.140 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001047341466 851726562 /nfs/dbraw/zinc/72/65/62/851726562.db2.gz IQCWGQAZWFPVLX-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001047341466 851726575 /nfs/dbraw/zinc/72/65/75/851726575.db2.gz IQCWGQAZWFPVLX-STQMWFEESA-N 1 2 276.336 0.647 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)ccc2F)C1 ZINC001047409716 851752426 /nfs/dbraw/zinc/75/24/26/851752426.db2.gz WGSFIQKAJSTQSW-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)ccc2F)C1 ZINC001047409716 851752436 /nfs/dbraw/zinc/75/24/36/851752436.db2.gz WGSFIQKAJSTQSW-KBPBESRZSA-N 1 2 294.301 0.715 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc[nH]1)C2 ZINC001096202078 851800359 /nfs/dbraw/zinc/80/03/59/851800359.db2.gz SHXXEBNKBLJYBD-VWYCJHECSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc[nH]1)C2 ZINC001096202078 851800368 /nfs/dbraw/zinc/80/03/68/851800368.db2.gz SHXXEBNKBLJYBD-VWYCJHECSA-N 1 2 259.313 0.163 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001047604111 851831801 /nfs/dbraw/zinc/83/18/01/851831801.db2.gz CSOQVIJETDFGDW-KBPBESRZSA-N 1 2 288.347 0.446 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001047604111 851831806 /nfs/dbraw/zinc/83/18/06/851831806.db2.gz CSOQVIJETDFGDW-KBPBESRZSA-N 1 2 288.347 0.446 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001096308685 851914226 /nfs/dbraw/zinc/91/42/26/851914226.db2.gz UDDZKXTYFUMVKD-WOPDTQHZSA-N 1 2 273.340 0.092 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001096308685 851914242 /nfs/dbraw/zinc/91/42/42/851914242.db2.gz UDDZKXTYFUMVKD-WOPDTQHZSA-N 1 2 273.340 0.092 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N ZINC001096350474 851952003 /nfs/dbraw/zinc/95/20/03/851952003.db2.gz MCFCJKDXCHIFRH-WXHSDQCUSA-N 1 2 273.340 0.208 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1cccn1)CCO2 ZINC001053157792 852696352 /nfs/dbraw/zinc/69/63/52/852696352.db2.gz ULHRBYGKHNJFCX-UHFFFAOYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001053281766 852721676 /nfs/dbraw/zinc/72/16/76/852721676.db2.gz WBMXWNSLRNUQFL-UHFFFAOYSA-N 1 2 290.367 0.442 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCOC1)CO2 ZINC001053755484 852806625 /nfs/dbraw/zinc/80/66/25/852806625.db2.gz GDPGKSINRQFNAL-KBPBESRZSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053818029 852828519 /nfs/dbraw/zinc/82/85/19/852828519.db2.gz XIYBBMBUUZLRKI-ZDUSSCGKSA-N 1 2 273.336 0.611 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(OC)C1)CO2 ZINC001053842828 852832181 /nfs/dbraw/zinc/83/21/81/852832181.db2.gz XMKXFENJKOYOTD-MOKVOYLWSA-N 1 2 292.379 0.394 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H](C)[C@H](NCC#N)C1 ZINC001054795600 853016905 /nfs/dbraw/zinc/01/69/05/853016905.db2.gz ZHEKBGSSPBNJNX-WCQYABFASA-N 1 2 288.351 0.593 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1nccnc1C#N ZINC001098006826 853123578 /nfs/dbraw/zinc/12/35/78/853123578.db2.gz NOHPZCODBQLLGV-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001056587646 853175531 /nfs/dbraw/zinc/17/55/31/853175531.db2.gz MSEVFPYQCHFPII-NXEZZACHSA-N 1 2 299.338 0.536 20 30 CCEDLO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001056871493 853238660 /nfs/dbraw/zinc/23/86/60/853238660.db2.gz LOSDLQQQOQIABI-JQWIXIFHSA-N 1 2 273.340 0.982 20 30 CCEDLO CC(C)(C(=O)N1CCC[C@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC001000698988 853247221 /nfs/dbraw/zinc/24/72/21/853247221.db2.gz WNZMIJSUELAUMP-NSHDSACASA-N 1 2 275.356 0.791 20 30 CCEDLO Cc1nc(N2CCCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001057107136 853270953 /nfs/dbraw/zinc/27/09/53/853270953.db2.gz GAABGVWEGHORBH-LLVKDONJSA-N 1 2 273.340 0.983 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1N ZINC001050886324 853474499 /nfs/dbraw/zinc/47/44/99/853474499.db2.gz UJVAJNTZDWUAJC-NSHDSACASA-N 1 2 293.371 0.009 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C)c1N ZINC001050886324 853474506 /nfs/dbraw/zinc/47/45/06/853474506.db2.gz UJVAJNTZDWUAJC-NSHDSACASA-N 1 2 293.371 0.009 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001050963414 853495144 /nfs/dbraw/zinc/49/51/44/853495144.db2.gz YXXXPIRESIQJBE-MJBXVCDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001050963414 853495146 /nfs/dbraw/zinc/49/51/46/853495146.db2.gz YXXXPIRESIQJBE-MJBXVCDLSA-N 1 2 298.383 0.183 20 30 CCEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001051027841 853507603 /nfs/dbraw/zinc/50/76/03/853507603.db2.gz ZHSXYGLMTPHJPV-CYBMUJFWSA-N 1 2 298.346 0.398 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051062810 853514941 /nfs/dbraw/zinc/51/49/41/853514941.db2.gz AZYVPWKPTUZNHO-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001051062810 853514949 /nfs/dbraw/zinc/51/49/49/853514949.db2.gz AZYVPWKPTUZNHO-LLVKDONJSA-N 1 2 294.355 0.132 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051118929 853527429 /nfs/dbraw/zinc/52/74/29/853527429.db2.gz WJCNBMYHVLSGSD-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051118929 853527433 /nfs/dbraw/zinc/52/74/33/853527433.db2.gz WJCNBMYHVLSGSD-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nocc1C ZINC001051198657 853546530 /nfs/dbraw/zinc/54/65/30/853546530.db2.gz WGMZLOFTJFRHHD-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nocc1C ZINC001051198657 853546539 /nfs/dbraw/zinc/54/65/39/853546539.db2.gz WGMZLOFTJFRHHD-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001051956786 853662933 /nfs/dbraw/zinc/66/29/33/853662933.db2.gz UEXUNKUOWQFFRL-ZDUSSCGKSA-N 1 2 271.792 0.977 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051984602 853670449 /nfs/dbraw/zinc/67/04/49/853670449.db2.gz LEUQIHBYRHYPJR-OAHLLOKOSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3=CCCC3)C2)CC1 ZINC001052011156 853675562 /nfs/dbraw/zinc/67/55/62/853675562.db2.gz NQOYLQQLZZHTFW-MRXNPFEDSA-N 1 2 287.407 0.948 20 30 CCEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052063589 853678878 /nfs/dbraw/zinc/67/88/78/853678878.db2.gz WRFZZLLPEPDSSX-HUUCEWRRSA-N 1 2 295.402 0.976 20 30 CCEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058422976 853843855 /nfs/dbraw/zinc/84/38/55/853843855.db2.gz UGAGUDBMALOVPM-JTQLQIEISA-N 1 2 297.322 0.009 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069895937 853995867 /nfs/dbraw/zinc/99/58/67/853995867.db2.gz QUBDKVNAPQUNJB-KGLIPLIRSA-N 1 2 298.350 0.285 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069895937 853995871 /nfs/dbraw/zinc/99/58/71/853995871.db2.gz QUBDKVNAPQUNJB-KGLIPLIRSA-N 1 2 298.350 0.285 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NCC#N ZINC001070632046 854084392 /nfs/dbraw/zinc/08/43/92/854084392.db2.gz CPRMJBPLALLLDA-ZIAGYGMSSA-N 1 2 299.378 0.794 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001072551512 854413932 /nfs/dbraw/zinc/41/39/32/854413932.db2.gz GGLGPXANGAMILI-JTQLQIEISA-N 1 2 275.312 0.264 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001072551512 854413934 /nfs/dbraw/zinc/41/39/34/854413934.db2.gz GGLGPXANGAMILI-JTQLQIEISA-N 1 2 275.312 0.264 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001072551045 854414553 /nfs/dbraw/zinc/41/45/53/854414553.db2.gz ADOZTLAAOMJRFH-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001072551045 854414557 /nfs/dbraw/zinc/41/45/57/854414557.db2.gz ADOZTLAAOMJRFH-LLVKDONJSA-N 1 2 288.355 0.009 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001072799931 854463677 /nfs/dbraw/zinc/46/36/77/854463677.db2.gz ZVABZOVRIAESEZ-DGCLKSJQSA-N 1 2 290.367 0.882 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828636 854474711 /nfs/dbraw/zinc/47/47/11/854474711.db2.gz JYQCADZPKDXFJE-VXGBXAGGSA-N 1 2 285.351 0.571 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828636 854474720 /nfs/dbraw/zinc/47/47/20/854474720.db2.gz JYQCADZPKDXFJE-VXGBXAGGSA-N 1 2 285.351 0.571 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccco3)C2)nn1 ZINC001098601881 854873208 /nfs/dbraw/zinc/87/32/08/854873208.db2.gz XBNFQELRVGLDHZ-ZDUSSCGKSA-N 1 2 299.334 0.681 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001099262000 854924704 /nfs/dbraw/zinc/92/47/04/854924704.db2.gz NXYJXLDKYHJVCQ-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001099262582 854925300 /nfs/dbraw/zinc/92/53/00/854925300.db2.gz VPINVVAAZQNRAJ-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccnc(C#N)n1 ZINC001100734649 855215812 /nfs/dbraw/zinc/21/58/12/855215812.db2.gz NWVHVJBVCZWADE-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001103334988 855512839 /nfs/dbraw/zinc/51/28/39/855512839.db2.gz RIXJIJHJLIDVJD-LBPRGKRZSA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1nccnc1C#N ZINC001104053455 855564855 /nfs/dbraw/zinc/56/48/55/855564855.db2.gz ZMELPTOMPYUVAS-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001118279551 856240379 /nfs/dbraw/zinc/24/03/79/856240379.db2.gz KHTVAULRKJCSLC-ZDUSSCGKSA-N 1 2 262.313 0.540 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@@H]2C)C1=O ZINC001119630714 856794054 /nfs/dbraw/zinc/79/40/54/856794054.db2.gz IIWVNKUEJXBIRD-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@@H]2C)C1=O ZINC001119630714 856794060 /nfs/dbraw/zinc/79/40/60/856794060.db2.gz IIWVNKUEJXBIRD-NWDGAFQWSA-N 1 2 281.356 0.594 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(CC)CCNC1=O ZINC001323245949 912215741 /nfs/dbraw/zinc/21/57/41/912215741.db2.gz JDNYZEGUDLJATJ-SWLSCSKDSA-N 1 2 277.368 0.117 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(CC)CCNC1=O ZINC001323245949 912215759 /nfs/dbraw/zinc/21/57/59/912215759.db2.gz JDNYZEGUDLJATJ-SWLSCSKDSA-N 1 2 277.368 0.117 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CN1CCc2ccccc21 ZINC001323358671 912296224 /nfs/dbraw/zinc/29/62/24/912296224.db2.gz VZLKTDAHQRTIET-HNNXBMFYSA-N 1 2 283.375 0.873 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CN1CCc2ccccc21 ZINC001323358671 912296245 /nfs/dbraw/zinc/29/62/45/912296245.db2.gz VZLKTDAHQRTIET-HNNXBMFYSA-N 1 2 283.375 0.873 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COCCOCC ZINC001323372588 912300264 /nfs/dbraw/zinc/30/02/64/912300264.db2.gz ZWEBXKYVYFRURZ-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COCCOCC ZINC001323372588 912300283 /nfs/dbraw/zinc/30/02/83/912300283.db2.gz ZWEBXKYVYFRURZ-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO Cc1conc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001323405843 912328348 /nfs/dbraw/zinc/32/83/48/912328348.db2.gz KGHKISOUXMZNJN-SECBINFHSA-N 1 2 262.313 0.881 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001323436196 912344932 /nfs/dbraw/zinc/34/49/32/912344932.db2.gz UVEJEZCRZDVODG-LBPRGKRZSA-N 1 2 296.396 0.604 20 30 CCEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)CCOCC1 ZINC001324018472 912630972 /nfs/dbraw/zinc/63/09/72/912630972.db2.gz QXMVWXCYSWCOCK-CYBMUJFWSA-N 1 2 296.411 0.883 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001324472044 912861301 /nfs/dbraw/zinc/86/13/01/912861301.db2.gz SXXFEEVMDLHPCW-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001325218086 913289435 /nfs/dbraw/zinc/28/94/35/913289435.db2.gz WSEDKAUKWQLURM-UONOGXRCSA-N 1 2 278.396 0.999 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001325280899 913318354 /nfs/dbraw/zinc/31/83/54/913318354.db2.gz HCWLCLNTWFZIID-VXGBXAGGSA-N 1 2 252.358 0.772 20 30 CCEDLO C=CCC1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCC1 ZINC001325275297 913316671 /nfs/dbraw/zinc/31/66/71/913316671.db2.gz XVXIEJCTXAYNRK-UHFFFAOYSA-N 1 2 282.384 0.278 20 30 CCEDLO C[C@H]1CC[C@H](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001480901018 891721127 /nfs/dbraw/zinc/72/11/27/891721127.db2.gz HVGTUFPKVRMVPA-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO C[C@H]1CC[C@H](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480901018 891721133 /nfs/dbraw/zinc/72/11/33/891721133.db2.gz HVGTUFPKVRMVPA-STQMWFEESA-N 1 2 294.399 0.500 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001283606968 891945091 /nfs/dbraw/zinc/94/50/91/891945091.db2.gz YFOCGYNKXKCSAT-ZWNOBZJWSA-N 1 2 298.412 0.802 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001283640889 891972052 /nfs/dbraw/zinc/97/20/52/891972052.db2.gz ICLAPMLSGFQMKC-LLVKDONJSA-N 1 2 277.328 0.007 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CC#N)C1CC1 ZINC001481189588 892282624 /nfs/dbraw/zinc/28/26/24/892282624.db2.gz RGKSDLPQDITBNQ-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CC#N)C1CC1 ZINC001481189588 892282639 /nfs/dbraw/zinc/28/26/39/892282639.db2.gz RGKSDLPQDITBNQ-LLVKDONJSA-N 1 2 275.356 0.692 20 30 CCEDLO CC#CCCCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001481579248 892856730 /nfs/dbraw/zinc/85/67/30/892856730.db2.gz YKONRZMJERBVCU-UHFFFAOYSA-N 1 2 288.395 0.957 20 30 CCEDLO Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001481617610 892908924 /nfs/dbraw/zinc/90/89/24/892908924.db2.gz MPQBMULTZFASHN-SNVBAGLBSA-N 1 2 273.340 0.493 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2(C)CCC2)C1 ZINC001481638975 892946359 /nfs/dbraw/zinc/94/63/59/892946359.db2.gz OAABLILOULRDLH-GFCCVEGCSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001481641188 892953848 /nfs/dbraw/zinc/95/38/48/892953848.db2.gz POFFKSJCEZVOQY-MRXNPFEDSA-N 1 2 289.379 0.140 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1 ZINC001481668208 892984633 /nfs/dbraw/zinc/98/46/33/892984633.db2.gz DTUXNBOEHRVQFM-GJZGRUSLSA-N 1 2 287.363 0.574 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1 ZINC001481668208 892984643 /nfs/dbraw/zinc/98/46/43/892984643.db2.gz DTUXNBOEHRVQFM-GJZGRUSLSA-N 1 2 287.363 0.574 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001481688540 893003192 /nfs/dbraw/zinc/00/31/92/893003192.db2.gz ZCSIFLONDQNHJQ-RYUDHWBXSA-N 1 2 293.392 0.872 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001481688540 893003210 /nfs/dbraw/zinc/00/32/10/893003210.db2.gz ZCSIFLONDQNHJQ-RYUDHWBXSA-N 1 2 293.392 0.872 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481687553 893010458 /nfs/dbraw/zinc/01/04/58/893010458.db2.gz MIJKYDLXZHHGFV-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481687553 893010474 /nfs/dbraw/zinc/01/04/74/893010474.db2.gz MIJKYDLXZHHGFV-RYUDHWBXSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1 ZINC001481809803 893175988 /nfs/dbraw/zinc/17/59/88/893175988.db2.gz BDOMTNDAZAMCPC-JQWIXIFHSA-N 1 2 294.355 0.401 20 30 CCEDLO N#CCNCC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481983171 893295682 /nfs/dbraw/zinc/29/56/82/893295682.db2.gz GJLNIFZKVUZMSD-LBPRGKRZSA-N 1 2 275.356 0.694 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001493498563 893436840 /nfs/dbraw/zinc/43/68/40/893436840.db2.gz CACKNXGAXZBPEA-VHSXEESVSA-N 1 2 295.343 0.485 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)OC)C1 ZINC001482184702 893475070 /nfs/dbraw/zinc/47/50/70/893475070.db2.gz NGMBKYJWOZDNLU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)OC)C1 ZINC001482184702 893475078 /nfs/dbraw/zinc/47/50/78/893475078.db2.gz NGMBKYJWOZDNLU-RYUDHWBXSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001482187133 893478335 /nfs/dbraw/zinc/47/83/35/893478335.db2.gz SCNWJDCKLNIVAF-STQMWFEESA-N 1 2 293.371 0.232 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001482187133 893478338 /nfs/dbraw/zinc/47/83/38/893478338.db2.gz SCNWJDCKLNIVAF-STQMWFEESA-N 1 2 293.371 0.232 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2C)CC1 ZINC001355652067 894136234 /nfs/dbraw/zinc/13/62/34/894136234.db2.gz BLQQEOGMXWMSCZ-NWDGAFQWSA-N 1 2 259.357 0.694 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001482620568 894423849 /nfs/dbraw/zinc/42/38/49/894423849.db2.gz RAHQIDQIKFSDEJ-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001482620568 894423852 /nfs/dbraw/zinc/42/38/52/894423852.db2.gz RAHQIDQIKFSDEJ-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC12CCC2 ZINC001482630855 894433853 /nfs/dbraw/zinc/43/38/53/894433853.db2.gz BVQPRNLSBJSYKB-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC12CCC2 ZINC001482630855 894433859 /nfs/dbraw/zinc/43/38/59/894433859.db2.gz BVQPRNLSBJSYKB-ZDUSSCGKSA-N 1 2 291.395 0.316 20 30 CCEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1n[nH]cc1Br ZINC001482636660 894434889 /nfs/dbraw/zinc/43/48/89/894434889.db2.gz ZNMPMPABVYSFCL-UHFFFAOYSA-N 1 2 299.172 0.809 20 30 CCEDLO C#CC[N@H+](C)CCN(C)C(=O)c1n[nH]cc1Br ZINC001482636660 894434897 /nfs/dbraw/zinc/43/48/97/894434897.db2.gz ZNMPMPABVYSFCL-UHFFFAOYSA-N 1 2 299.172 0.809 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001482735355 894537769 /nfs/dbraw/zinc/53/77/69/894537769.db2.gz WUUBENOZJVESSO-PWSUYJOCSA-N 1 2 296.371 0.862 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482764455 894581478 /nfs/dbraw/zinc/58/14/78/894581478.db2.gz RBRSNCKDSKBQTI-SMDDNHRTSA-N 1 2 296.371 0.547 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1 ZINC001482764454 894582322 /nfs/dbraw/zinc/58/23/22/894582322.db2.gz RBRSNCKDSKBQTI-RISCZKNCSA-N 1 2 296.371 0.547 20 30 CCEDLO C=C(Cl)C[NH2+]CCN(CC)C(=O)Cc1ncn[nH]1 ZINC001482961275 894727728 /nfs/dbraw/zinc/72/77/28/894727728.db2.gz DDNOTNRTNMKWGD-UHFFFAOYSA-N 1 2 271.752 0.538 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N)o1 ZINC001482990694 894777447 /nfs/dbraw/zinc/77/74/47/894777447.db2.gz GORBQQHELDUUKS-ZBJFTSOASA-N 1 2 263.301 0.300 20 30 CCEDLO CCn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N)n1 ZINC001482992118 894782394 /nfs/dbraw/zinc/78/23/94/894782394.db2.gz VPWYCQFNWYHTBD-SGUJLRQBSA-N 1 2 276.344 0.220 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409350659 895149442 /nfs/dbraw/zinc/14/94/42/895149442.db2.gz BNKKSDSBJXUTDE-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409350659 895149446 /nfs/dbraw/zinc/14/94/46/895149446.db2.gz BNKKSDSBJXUTDE-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cncn1 ZINC001483310869 895420910 /nfs/dbraw/zinc/42/09/10/895420910.db2.gz FMQSYFISWKODQB-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCn1cncn1 ZINC001483310869 895420913 /nfs/dbraw/zinc/42/09/13/895420913.db2.gz FMQSYFISWKODQB-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CN2CCCC2=O)C1 ZINC001409841685 895731889 /nfs/dbraw/zinc/73/18/89/895731889.db2.gz CXLCMLXVZBGPFR-NSHDSACASA-N 1 2 299.802 0.798 20 30 CCEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)[nH]n1 ZINC001483629330 895748818 /nfs/dbraw/zinc/74/88/18/895748818.db2.gz KEQHFSUWRMOORG-ZDUSSCGKSA-N 1 2 290.367 0.426 20 30 CCEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)[nH]n1 ZINC001483629330 895748831 /nfs/dbraw/zinc/74/88/31/895748831.db2.gz KEQHFSUWRMOORG-ZDUSSCGKSA-N 1 2 290.367 0.426 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001483637069 895766456 /nfs/dbraw/zinc/76/64/56/895766456.db2.gz YQBQWCNLNWSNME-NAICIEFVSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001483637069 895766471 /nfs/dbraw/zinc/76/64/71/895766471.db2.gz YQBQWCNLNWSNME-NAICIEFVSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001483705289 895884959 /nfs/dbraw/zinc/88/49/59/895884959.db2.gz OHQGDJASCIOYKM-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001483705289 895884965 /nfs/dbraw/zinc/88/49/65/895884965.db2.gz OHQGDJASCIOYKM-CHWSQXEVSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1nc(C2CC2)nn1C ZINC001483704836 895884993 /nfs/dbraw/zinc/88/49/93/895884993.db2.gz LRDQDVGHVOVQEM-LBPRGKRZSA-N 1 2 287.367 0.059 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1nc(C2CC2)nn1C ZINC001483704836 895885001 /nfs/dbraw/zinc/88/50/01/895885001.db2.gz LRDQDVGHVOVQEM-LBPRGKRZSA-N 1 2 287.367 0.059 20 30 CCEDLO CC(C)COCC[NH+]1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001483857842 896080843 /nfs/dbraw/zinc/08/08/43/896080843.db2.gz YZFONAKYPYXUNH-GFCCVEGCSA-N 1 2 267.373 0.961 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2nc(C)no2)C1 ZINC001483873089 896098788 /nfs/dbraw/zinc/09/87/88/896098788.db2.gz NFXJAJQETXTRHF-UHFFFAOYSA-N 1 2 264.329 0.639 20 30 CCEDLO C=CCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cnnn2C)C1 ZINC001484036550 896163420 /nfs/dbraw/zinc/16/34/20/896163420.db2.gz GTJFICVFVKEUGD-AWEZNQCLSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2cnnn2C)C1 ZINC001484036550 896163428 /nfs/dbraw/zinc/16/34/28/896163428.db2.gz GTJFICVFVKEUGD-AWEZNQCLSA-N 1 2 293.371 0.098 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001484265549 896291848 /nfs/dbraw/zinc/29/18/48/896291848.db2.gz ZKHJOXRBLFUURA-IUODEOHRSA-N 1 2 299.374 0.996 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001484265955 896298077 /nfs/dbraw/zinc/29/80/77/896298077.db2.gz CYQFWZUYRBQUOM-WDNDVIMCSA-N 1 2 276.380 0.609 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2c(F)cncc2F)C1 ZINC001484276184 896305378 /nfs/dbraw/zinc/30/53/78/896305378.db2.gz OAUXZICDNCWVGA-UHFFFAOYSA-N 1 2 295.289 0.160 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001484281919 896313440 /nfs/dbraw/zinc/31/34/40/896313440.db2.gz PHTRDXQIXOMBEK-MCIONIFRSA-N 1 2 276.380 0.609 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC001326629646 914065493 /nfs/dbraw/zinc/06/54/93/914065493.db2.gz LRQDNUHNKKKDOY-NSHDSACASA-N 1 2 286.339 0.827 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001484587771 896481960 /nfs/dbraw/zinc/48/19/60/896481960.db2.gz QIMAYGBAQCEWQV-LSDHHAIUSA-N 1 2 294.395 0.786 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001484587771 896481970 /nfs/dbraw/zinc/48/19/70/896481970.db2.gz QIMAYGBAQCEWQV-LSDHHAIUSA-N 1 2 294.395 0.786 20 30 CCEDLO CCOCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001484593733 896492557 /nfs/dbraw/zinc/49/25/57/896492557.db2.gz ZFURHPZUOSIPAC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO CCOCCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001484593733 896492563 /nfs/dbraw/zinc/49/25/63/896492563.db2.gz ZFURHPZUOSIPAC-HNNXBMFYSA-N 1 2 294.395 0.643 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COC)O2 ZINC001484780383 896596643 /nfs/dbraw/zinc/59/66/43/896596643.db2.gz XDYURWYBOPCDBS-NSHDSACASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001326668628 914088001 /nfs/dbraw/zinc/08/80/01/914088001.db2.gz XBJZIPGMJWUYEW-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001326668628 914088013 /nfs/dbraw/zinc/08/80/13/914088013.db2.gz XBJZIPGMJWUYEW-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)NC1CC(CNCC#N)C1 ZINC001485109345 896785798 /nfs/dbraw/zinc/78/57/98/896785798.db2.gz SAYPYALWBUCZHK-UHFFFAOYSA-N 1 2 275.356 0.361 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)c2ccco2)C1 ZINC001485416789 897044163 /nfs/dbraw/zinc/04/41/63/897044163.db2.gz QSCGBAOWCCYVSI-ZDUSSCGKSA-N 1 2 290.363 0.959 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(N)=O ZINC001485482069 897070060 /nfs/dbraw/zinc/07/00/60/897070060.db2.gz JUHQGYZZWJTEKP-SNVBAGLBSA-N 1 2 273.764 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(N)=O ZINC001485482069 897070079 /nfs/dbraw/zinc/07/00/79/897070079.db2.gz JUHQGYZZWJTEKP-SNVBAGLBSA-N 1 2 273.764 0.585 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836318 897339507 /nfs/dbraw/zinc/33/95/07/897339507.db2.gz SMVIRQUOXGBSKS-AWEZNQCLSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836318 897339522 /nfs/dbraw/zinc/33/95/22/897339522.db2.gz SMVIRQUOXGBSKS-AWEZNQCLSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001107876957 897417415 /nfs/dbraw/zinc/41/74/15/897417415.db2.gz NWHGAQIRRZFUEM-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001107876957 897417422 /nfs/dbraw/zinc/41/74/22/897417422.db2.gz NWHGAQIRRZFUEM-HNNXBMFYSA-N 1 2 288.351 0.893 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001077768478 897451608 /nfs/dbraw/zinc/45/16/08/897451608.db2.gz DBNIDBCUEDQIGS-ZIAGYGMSSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001077768478 897451614 /nfs/dbraw/zinc/45/16/14/897451614.db2.gz DBNIDBCUEDQIGS-ZIAGYGMSSA-N 1 2 290.367 0.262 20 30 CCEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC)CC2 ZINC001127918682 897484025 /nfs/dbraw/zinc/48/40/25/897484025.db2.gz RGVZVZKXVFAURT-GFCCVEGCSA-N 1 2 289.383 0.622 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001032422800 897544185 /nfs/dbraw/zinc/54/41/85/897544185.db2.gz MDUSVYLUIXVXIO-QEJZJMRPSA-N 1 2 286.379 0.746 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001032422800 897544191 /nfs/dbraw/zinc/54/41/91/897544191.db2.gz MDUSVYLUIXVXIO-QEJZJMRPSA-N 1 2 286.379 0.746 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccnn21 ZINC001032441248 897575034 /nfs/dbraw/zinc/57/50/34/897575034.db2.gz IWLPVLRKYKCISV-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccnn21 ZINC001032441248 897575046 /nfs/dbraw/zinc/57/50/46/897575046.db2.gz IWLPVLRKYKCISV-RYUDHWBXSA-N 1 2 281.319 0.261 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1nc(C)cc1C ZINC001032549727 897731782 /nfs/dbraw/zinc/73/17/82/897731782.db2.gz MOXIGALQKORGEU-GJZGRUSLSA-N 1 2 286.379 0.808 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1nc(C)cc1C ZINC001032549727 897731788 /nfs/dbraw/zinc/73/17/88/897731788.db2.gz MOXIGALQKORGEU-GJZGRUSLSA-N 1 2 286.379 0.808 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)c(C)n[nH]c1=O ZINC001032552876 897736781 /nfs/dbraw/zinc/73/67/81/897736781.db2.gz BRJGKPLKOPUUOQ-RYUDHWBXSA-N 1 2 286.335 0.331 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)c(C)n[nH]c1=O ZINC001032552876 897736789 /nfs/dbraw/zinc/73/67/89/897736789.db2.gz BRJGKPLKOPUUOQ-RYUDHWBXSA-N 1 2 286.335 0.331 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1F ZINC001032610926 897823584 /nfs/dbraw/zinc/82/35/84/897823584.db2.gz ALMYVTSXUPNTFO-IUCAKERBSA-N 1 2 250.277 0.634 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1F ZINC001032610926 897823589 /nfs/dbraw/zinc/82/35/89/897823589.db2.gz ALMYVTSXUPNTFO-IUCAKERBSA-N 1 2 250.277 0.634 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cc1C ZINC001032619169 897833560 /nfs/dbraw/zinc/83/35/60/897833560.db2.gz NDUWFBPBSZALJN-RYUDHWBXSA-N 1 2 271.320 0.628 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cc1C ZINC001032619169 897833567 /nfs/dbraw/zinc/83/35/67/897833567.db2.gz NDUWFBPBSZALJN-RYUDHWBXSA-N 1 2 271.320 0.628 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001077859555 897991731 /nfs/dbraw/zinc/99/17/31/897991731.db2.gz LRWHFWRGZSHHOL-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001077859555 897991738 /nfs/dbraw/zinc/99/17/38/897991738.db2.gz LRWHFWRGZSHHOL-HZPDHXFCSA-N 1 2 295.342 0.643 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCC2 ZINC001032728496 898020613 /nfs/dbraw/zinc/02/06/13/898020613.db2.gz FCCYPQVGTXWWHZ-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCC2 ZINC001032728496 898020630 /nfs/dbraw/zinc/02/06/30/898020630.db2.gz FCCYPQVGTXWWHZ-STQMWFEESA-N 1 2 298.390 0.831 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001032729414 898021192 /nfs/dbraw/zinc/02/11/92/898021192.db2.gz BGOFJMWTXNYSRQ-SNPRPXQTSA-N 1 2 298.390 0.823 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001032729414 898021204 /nfs/dbraw/zinc/02/12/04/898021204.db2.gz BGOFJMWTXNYSRQ-SNPRPXQTSA-N 1 2 298.390 0.823 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032753083 898087087 /nfs/dbraw/zinc/08/70/87/898087087.db2.gz DOBXQJMDGREPDB-QWRGUYRKSA-N 1 2 259.313 0.069 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001032757719 898108906 /nfs/dbraw/zinc/10/89/06/898108906.db2.gz MMPCLCCOSDCKEJ-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001032757719 898108914 /nfs/dbraw/zinc/10/89/14/898108914.db2.gz MMPCLCCOSDCKEJ-RDBSUJKOSA-N 1 2 298.390 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001078039895 898199147 /nfs/dbraw/zinc/19/91/47/898199147.db2.gz BASFWNJSRFDAFC-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001078039895 898199155 /nfs/dbraw/zinc/19/91/55/898199155.db2.gz BASFWNJSRFDAFC-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001078068837 898217314 /nfs/dbraw/zinc/21/73/14/898217314.db2.gz JEPSKNDSGAPTFR-ZIAGYGMSSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001078068837 898217327 /nfs/dbraw/zinc/21/73/27/898217327.db2.gz JEPSKNDSGAPTFR-ZIAGYGMSSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001078197136 898290703 /nfs/dbraw/zinc/29/07/03/898290703.db2.gz DFSKHTLXMIKTGH-GDBMZVCRSA-N 1 2 297.358 0.436 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001078197136 898290717 /nfs/dbraw/zinc/29/07/17/898290717.db2.gz DFSKHTLXMIKTGH-GDBMZVCRSA-N 1 2 297.358 0.436 20 30 CCEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H](CO)CNC(=O)C1CC1 ZINC001485967826 898538189 /nfs/dbraw/zinc/53/81/89/898538189.db2.gz XGFANKUTYVQMBM-CQSZACIVSA-N 1 2 291.326 0.674 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1conc1C ZINC001486427093 898866577 /nfs/dbraw/zinc/86/65/77/898866577.db2.gz IXTOWAJQOFHOJF-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1conc1C ZINC001486427093 898866588 /nfs/dbraw/zinc/86/65/88/898866588.db2.gz IXTOWAJQOFHOJF-NSHDSACASA-N 1 2 294.355 0.707 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001410012855 899095390 /nfs/dbraw/zinc/09/53/90/899095390.db2.gz NGUHOAUBGOTRKQ-LBPRGKRZSA-N 1 2 291.355 0.350 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]C/C(Cl)=C\Cl ZINC001410579961 899480772 /nfs/dbraw/zinc/48/07/72/899480772.db2.gz DVAWEVBTQNUJCU-IUXJGCNLSA-N 1 2 280.155 0.532 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001488637836 900327114 /nfs/dbraw/zinc/32/71/14/900327114.db2.gz JKPFPALXMIDXAI-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001488637836 900327121 /nfs/dbraw/zinc/32/71/21/900327121.db2.gz JKPFPALXMIDXAI-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C=CCCC(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001490485000 900637864 /nfs/dbraw/zinc/63/78/64/900637864.db2.gz OCAPAYJIHWBYQL-UHFFFAOYSA-N 1 2 293.411 0.336 20 30 CCEDLO C=CCCC(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001490485000 900637870 /nfs/dbraw/zinc/63/78/70/900637870.db2.gz OCAPAYJIHWBYQL-UHFFFAOYSA-N 1 2 293.411 0.336 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c[nH]1 ZINC001412416139 901701196 /nfs/dbraw/zinc/70/11/96/901701196.db2.gz DUCOJMYIZDVFNV-LBPRGKRZSA-N 1 2 270.296 0.396 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CCCOC1 ZINC001412999563 902456988 /nfs/dbraw/zinc/45/69/88/902456988.db2.gz VKYXJDOFYBAETF-SGMGOOAPSA-N 1 2 281.331 0.561 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CCCOC1 ZINC001412999563 902456992 /nfs/dbraw/zinc/45/69/92/902456992.db2.gz VKYXJDOFYBAETF-SGMGOOAPSA-N 1 2 281.331 0.561 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001491206797 903445781 /nfs/dbraw/zinc/44/57/81/903445781.db2.gz SKECKCNJTXXNOF-LBPRGKRZSA-N 1 2 275.356 0.260 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C)s1 ZINC001331703193 904007109 /nfs/dbraw/zinc/00/71/09/904007109.db2.gz CBIMVAGHILFFTI-LLVKDONJSA-N 1 2 296.396 0.073 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COC(C)C)O2 ZINC001280922416 904174116 /nfs/dbraw/zinc/17/41/16/904174116.db2.gz UVOQBARYCVHTAC-ZDUSSCGKSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCOCC(=O)N[C@H]1COC2(C[NH+](CCOCC)C2)C1 ZINC001280934840 904177452 /nfs/dbraw/zinc/17/74/52/904177452.db2.gz JCNRMEOSPKBDHG-CYBMUJFWSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001282530368 904502566 /nfs/dbraw/zinc/50/25/66/904502566.db2.gz RECQIJKPQLUOAM-KGLIPLIRSA-N 1 2 294.395 0.378 20 30 CCEDLO C[N@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1C#N ZINC001377261603 904731795 /nfs/dbraw/zinc/73/17/95/904731795.db2.gz JNRFJPNCIJDHLN-UHFFFAOYSA-N 1 2 298.350 0.398 20 30 CCEDLO C[N@@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1C#N ZINC001377261603 904731805 /nfs/dbraw/zinc/73/18/05/904731805.db2.gz JNRFJPNCIJDHLN-UHFFFAOYSA-N 1 2 298.350 0.398 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001283262541 904785043 /nfs/dbraw/zinc/78/50/43/904785043.db2.gz XDCDRGVYUHRGIT-LLVKDONJSA-N 1 2 263.345 0.361 20 30 CCEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283291462 904794908 /nfs/dbraw/zinc/79/49/08/904794908.db2.gz MRZLIZNNYWZSPG-CHWSQXEVSA-N 1 2 292.383 0.964 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNC(=O)[C@H](C)C#N ZINC001283641202 904940751 /nfs/dbraw/zinc/94/07/51/904940751.db2.gz MUUDWYOOGLODLE-SNVBAGLBSA-N 1 2 291.355 0.385 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001377558137 904992186 /nfs/dbraw/zinc/99/21/86/904992186.db2.gz NFWMSGRODGHLME-UHFFFAOYSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1nc[nH]n1)C1CC1 ZINC001377558137 904992207 /nfs/dbraw/zinc/99/22/07/904992207.db2.gz NFWMSGRODGHLME-UHFFFAOYSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001378048457 905375981 /nfs/dbraw/zinc/37/59/81/905375981.db2.gz MQUUIEVQZSOHJF-SECBINFHSA-N 1 2 285.779 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001378048457 905375993 /nfs/dbraw/zinc/37/59/93/905375993.db2.gz MQUUIEVQZSOHJF-SECBINFHSA-N 1 2 285.779 0.845 20 30 CCEDLO CC[C@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001285057905 905539449 /nfs/dbraw/zinc/53/94/49/905539449.db2.gz ZXJFSLGCJVCPKW-CYBMUJFWSA-N 1 2 288.351 0.308 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC001334735114 906344112 /nfs/dbraw/zinc/34/41/12/906344112.db2.gz QQKZQAVPHWXTKG-GFCCVEGCSA-N 1 2 278.400 0.963 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001295517197 906751297 /nfs/dbraw/zinc/75/12/97/906751297.db2.gz IJHQAYKOFVKHPH-GFCCVEGCSA-N 1 2 278.356 0.860 20 30 CCEDLO C=C(C)CCC(=O)N[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001295574622 906763334 /nfs/dbraw/zinc/76/33/34/906763334.db2.gz MLUFGJZUAVUIBD-GFCCVEGCSA-N 1 2 292.383 0.940 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](Cc2ccccc2)C1 ZINC001380582793 906840804 /nfs/dbraw/zinc/84/08/04/906840804.db2.gz WJLJEKKVJCVQPK-LBPRGKRZSA-N 1 2 273.336 0.509 20 30 CCEDLO C#CCCCC(=O)N(C)CCNC(=O)Cc1c[nH+]cn1C ZINC001296160556 906869960 /nfs/dbraw/zinc/86/99/60/906869960.db2.gz JHWVBIHRIQYRKX-UHFFFAOYSA-N 1 2 290.367 0.341 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C#CC1CC1 ZINC001296362197 906907160 /nfs/dbraw/zinc/90/71/60/906907160.db2.gz RAVKNBZQLLUCSH-UHFFFAOYSA-N 1 2 288.351 0.330 20 30 CCEDLO C=CCCC(=O)N[C@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001297446435 907075721 /nfs/dbraw/zinc/07/57/21/907075721.db2.gz MMJGYFWPRAXXPE-GFCCVEGCSA-N 1 2 292.383 0.940 20 30 CCEDLO C#Cc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1 ZINC001337886184 921301506 /nfs/dbraw/zinc/30/15/06/921301506.db2.gz YUSNPQASOURZKC-CQSZACIVSA-N 1 2 275.352 0.192 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491707242 907531432 /nfs/dbraw/zinc/53/14/32/907531432.db2.gz COWSVOBRMNKRAU-VXGBXAGGSA-N 1 2 291.355 0.616 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001492195483 907747529 /nfs/dbraw/zinc/74/75/29/907747529.db2.gz UFRQPSCJBCNYML-UHFFFAOYSA-N 1 2 261.753 0.265 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001492195483 907747537 /nfs/dbraw/zinc/74/75/37/907747537.db2.gz UFRQPSCJBCNYML-UHFFFAOYSA-N 1 2 261.753 0.265 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001317241233 907995336 /nfs/dbraw/zinc/99/53/36/907995336.db2.gz LAXLLHPIDWQRMZ-WDEREUQCSA-N 1 2 294.355 0.573 20 30 CCEDLO COCC#CC[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC001307565162 908317332 /nfs/dbraw/zinc/31/73/32/908317332.db2.gz FCHYCXRZOTVOEX-JTQLQIEISA-N 1 2 269.263 0.244 20 30 CCEDLO COCC#CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC001307565162 908317347 /nfs/dbraw/zinc/31/73/47/908317347.db2.gz FCHYCXRZOTVOEX-JTQLQIEISA-N 1 2 269.263 0.244 20 30 CCEDLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)c2nccn21 ZINC001308845071 908438044 /nfs/dbraw/zinc/43/80/44/908438044.db2.gz YZEXCMIUHVOMAQ-OPRDCNLKSA-N 1 2 250.302 0.859 20 30 CCEDLO C=CCNC(=[NH2+])NCc1nnc([C@H]2CCCO2)[nH]1 ZINC001329225566 908740667 /nfs/dbraw/zinc/74/06/67/908740667.db2.gz LQQRXBCXEJSEFA-MRVPVSSYSA-N 1 2 250.306 0.456 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)c2ccn(C)c2)CC1 ZINC001316963864 908871866 /nfs/dbraw/zinc/87/18/66/908871866.db2.gz MXBJOLYTFLWRKH-UHFFFAOYSA-N 1 2 288.395 0.396 20 30 CCEDLO N#CCN[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317017130 908921183 /nfs/dbraw/zinc/92/11/83/908921183.db2.gz ASYOTBFGKXTTEH-TZMCWYRMSA-N 1 2 287.367 0.453 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001317298350 909125548 /nfs/dbraw/zinc/12/55/48/909125548.db2.gz WTZXIYXTDJQNOX-FZMZJTMJSA-N 1 2 294.355 0.396 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318076525 909611551 /nfs/dbraw/zinc/61/15/51/909611551.db2.gz APZRSKUJTAAUOW-LBPRGKRZSA-N 1 2 293.411 0.751 20 30 CCEDLO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001318119375 909632498 /nfs/dbraw/zinc/63/24/98/909632498.db2.gz SKQQOUMMVNYPRZ-LLVKDONJSA-N 1 2 279.384 0.218 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001318349594 909717284 /nfs/dbraw/zinc/71/72/84/909717284.db2.gz PMGDYCJPEKOQPI-DGCLKSJQSA-N 1 2 285.363 0.473 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001318349594 909717297 /nfs/dbraw/zinc/71/72/97/909717297.db2.gz PMGDYCJPEKOQPI-DGCLKSJQSA-N 1 2 285.363 0.473 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001318379392 909728097 /nfs/dbraw/zinc/72/80/97/909728097.db2.gz HLOVOQYEXXGWSC-LLVKDONJSA-N 1 2 285.363 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001318379392 909728109 /nfs/dbraw/zinc/72/81/09/909728109.db2.gz HLOVOQYEXXGWSC-LLVKDONJSA-N 1 2 285.363 0.569 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001319294999 910077539 /nfs/dbraw/zinc/07/75/39/910077539.db2.gz IHVJMJDLIKWFGE-CHWSQXEVSA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001319294999 910077555 /nfs/dbraw/zinc/07/75/55/910077555.db2.gz IHVJMJDLIKWFGE-CHWSQXEVSA-N 1 2 278.356 0.447 20 30 CCEDLO CC(C)C[C@@H](CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001319644022 910241497 /nfs/dbraw/zinc/24/14/97/910241497.db2.gz VYIYDZKPAOEGSZ-LBPRGKRZSA-N 1 2 263.345 0.527 20 30 CCEDLO CC(C)CCC(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001319970385 910385127 /nfs/dbraw/zinc/38/51/27/910385127.db2.gz SKPWUTKKEAVYRY-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO CC(C)CCC(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001319970385 910385138 /nfs/dbraw/zinc/38/51/38/910385138.db2.gz SKPWUTKKEAVYRY-UHFFFAOYSA-N 1 2 282.388 0.453 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@H+](C)Cc1cc(C)n(C)n1 ZINC001319980984 910390812 /nfs/dbraw/zinc/39/08/12/910390812.db2.gz IPQIYKKPDKBWEX-UHFFFAOYSA-N 1 2 294.399 0.821 20 30 CCEDLO C=CCOCC(=O)N(C)CC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001319980984 910390829 /nfs/dbraw/zinc/39/08/29/910390829.db2.gz IPQIYKKPDKBWEX-UHFFFAOYSA-N 1 2 294.399 0.821 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001319995235 910407508 /nfs/dbraw/zinc/40/75/08/910407508.db2.gz PJNTWPCQFFNOHZ-UHFFFAOYSA-N 1 2 279.384 0.338 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)C ZINC001319995235 910407519 /nfs/dbraw/zinc/40/75/19/910407519.db2.gz PJNTWPCQFFNOHZ-UHFFFAOYSA-N 1 2 279.384 0.338 20 30 CCEDLO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001320200004 910510290 /nfs/dbraw/zinc/51/02/90/910510290.db2.gz DNDRTYKLXOMWTI-ONGXEEELSA-N 1 2 282.344 0.472 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NC1CCCC1 ZINC001390743062 910643221 /nfs/dbraw/zinc/64/32/21/910643221.db2.gz SGFJEDDQSMHUAW-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC001390743062 910643226 /nfs/dbraw/zinc/64/32/26/910643226.db2.gz SGFJEDDQSMHUAW-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)n1cnc(C#N)n1 ZINC001321164815 911129716 /nfs/dbraw/zinc/12/97/16/911129716.db2.gz MRDPWSDCVZPTDX-NSHDSACASA-N 1 2 287.327 0.504 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCCCCO)n2C)CC1 ZINC001339121615 921658429 /nfs/dbraw/zinc/65/84/29/921658429.db2.gz QRCFWDKJIOFSBT-UHFFFAOYSA-N 1 2 291.399 0.275 20 30 CCEDLO C#CC[NH2+]C[C@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001321946382 911585226 /nfs/dbraw/zinc/58/52/26/911585226.db2.gz HLHAEYUOGZQGDG-NSHDSACASA-N 1 2 283.335 0.813 20 30 CCEDLO CCCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001392464288 911829137 /nfs/dbraw/zinc/82/91/37/911829137.db2.gz FBWCWEHRPSSHGW-NXEZZACHSA-N 1 2 279.344 0.776 20 30 CCEDLO C=CC(C)(C)C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001322640241 911895380 /nfs/dbraw/zinc/89/53/80/911895380.db2.gz IAONCCAQVBFPJB-UHFFFAOYSA-N 1 2 280.376 0.360 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC=NO3)n2CC)CC1 ZINC001339441138 921727401 /nfs/dbraw/zinc/72/74/01/921727401.db2.gz MZUHGCZFFBYPTD-GFCCVEGCSA-N 1 2 288.355 0.500 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001417970266 921736390 /nfs/dbraw/zinc/73/63/90/921736390.db2.gz PQDFPBIYAZVHKB-LDYMZIIASA-N 1 2 279.369 0.682 20 30 CCEDLO C=CCOCCNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001328161178 915006635 /nfs/dbraw/zinc/00/66/35/915006635.db2.gz SXPYSNLXBLLGAN-UHFFFAOYSA-N 1 2 291.351 0.633 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001400531111 915794961 /nfs/dbraw/zinc/79/49/61/915794961.db2.gz MQUNJOXNJGEJQZ-UHFFFAOYSA-N 1 2 287.791 0.702 20 30 CCEDLO CC(C)COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001402010736 916751118 /nfs/dbraw/zinc/75/11/18/916751118.db2.gz NNDWFSSNLUAFCX-JSGCOSHPSA-N 1 2 297.399 0.322 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001330710088 916807092 /nfs/dbraw/zinc/80/70/92/916807092.db2.gz APZGKGQWWZXHRP-ZDUSSCGKSA-N 1 2 299.440 0.763 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001330710088 916807107 /nfs/dbraw/zinc/80/71/07/916807107.db2.gz APZGKGQWWZXHRP-ZDUSSCGKSA-N 1 2 299.440 0.763 20 30 CCEDLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001402181387 916854045 /nfs/dbraw/zinc/85/40/45/916854045.db2.gz YDKUFOHKHJBDKB-PSASIEDQSA-N 1 2 279.369 0.697 20 30 CCEDLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001402181387 916854057 /nfs/dbraw/zinc/85/40/57/916854057.db2.gz YDKUFOHKHJBDKB-PSASIEDQSA-N 1 2 279.369 0.697 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001331203930 917180368 /nfs/dbraw/zinc/18/03/68/917180368.db2.gz MSDFWVQIMMPJNN-ZIAGYGMSSA-N 1 2 288.351 0.437 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001331203930 917180377 /nfs/dbraw/zinc/18/03/77/917180377.db2.gz MSDFWVQIMMPJNN-ZIAGYGMSSA-N 1 2 288.351 0.437 20 30 CCEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC001331329289 917266319 /nfs/dbraw/zinc/26/63/19/917266319.db2.gz BESWNFUZMVFTLS-JTQLQIEISA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC001331329289 917266324 /nfs/dbraw/zinc/26/63/24/917266324.db2.gz BESWNFUZMVFTLS-JTQLQIEISA-N 1 2 274.372 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001403120102 917506477 /nfs/dbraw/zinc/50/64/77/917506477.db2.gz PKIZNFFTEGKGRZ-UWVGGRQHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001403120102 917506512 /nfs/dbraw/zinc/50/65/12/917506512.db2.gz PKIZNFFTEGKGRZ-UWVGGRQHSA-N 1 2 290.795 0.622 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC001332107362 917866983 /nfs/dbraw/zinc/86/69/83/917866983.db2.gz WELCKGAUIUUELL-RYUDHWBXSA-N 1 2 296.367 0.508 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC001403644222 917879867 /nfs/dbraw/zinc/87/98/67/917879867.db2.gz STYUJBHJLMYETA-UHFFFAOYSA-N 1 2 285.731 0.793 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC001403644222 917879877 /nfs/dbraw/zinc/87/98/77/917879877.db2.gz STYUJBHJLMYETA-UHFFFAOYSA-N 1 2 285.731 0.793 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCN(CC#N)CC1 ZINC001333004066 918594156 /nfs/dbraw/zinc/59/41/56/918594156.db2.gz HOZFNFAEQMVVKM-LBPRGKRZSA-N 1 2 289.383 0.703 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001405095055 918596390 /nfs/dbraw/zinc/59/63/90/918596390.db2.gz CJKLDKJWZMWYDZ-NEPJUHHUSA-N 1 2 291.355 0.396 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001333412752 918884311 /nfs/dbraw/zinc/88/43/11/918884311.db2.gz AWUXYJZURCQRJW-OUAUKWLOSA-N 1 2 268.313 0.534 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001333412752 918884328 /nfs/dbraw/zinc/88/43/28/918884328.db2.gz AWUXYJZURCQRJW-OUAUKWLOSA-N 1 2 268.313 0.534 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001333569436 919007112 /nfs/dbraw/zinc/00/71/12/919007112.db2.gz XQPXDSHEZOYORG-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C=CC[C@@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001333569436 919007127 /nfs/dbraw/zinc/00/71/27/919007127.db2.gz XQPXDSHEZOYORG-MNOVXSKESA-N 1 2 267.329 0.204 20 30 CCEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)CC1(C#N)CC1 ZINC001413952426 920224316 /nfs/dbraw/zinc/22/43/16/920224316.db2.gz IWQZZLHHGITJRF-NSHDSACASA-N 1 2 275.356 0.711 20 30 CCEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)CC1(C#N)CC1 ZINC001413952426 920224333 /nfs/dbraw/zinc/22/43/33/920224333.db2.gz IWQZZLHHGITJRF-NSHDSACASA-N 1 2 275.356 0.711 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339776757 921824325 /nfs/dbraw/zinc/82/43/25/921824325.db2.gz ADVOARCHKKPVND-GHMZBOCLSA-N 1 2 263.345 0.105 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339776757 921824313 /nfs/dbraw/zinc/82/43/13/921824313.db2.gz ADVOARCHKKPVND-GHMZBOCLSA-N 1 2 263.345 0.105 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001418656511 922339140 /nfs/dbraw/zinc/33/91/40/922339140.db2.gz MOSSUJKILRAQAD-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001418656511 922339155 /nfs/dbraw/zinc/33/91/55/922339155.db2.gz MOSSUJKILRAQAD-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001418656511 922339171 /nfs/dbraw/zinc/33/91/71/922339171.db2.gz MOSSUJKILRAQAD-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001418656511 922339187 /nfs/dbraw/zinc/33/91/87/922339187.db2.gz MOSSUJKILRAQAD-LLVKDONJSA-N 1 2 297.790 0.928 20 30 CCEDLO C[C@@H](C(=O)N1CCc2cc[nH+]c(N)c2C1)n1cnc(C#N)n1 ZINC001418843809 922450263 /nfs/dbraw/zinc/45/02/63/922450263.db2.gz USJPAIPSZLGWCC-VIFPVBQESA-N 1 2 297.322 0.273 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001419026322 922577790 /nfs/dbraw/zinc/57/77/90/922577790.db2.gz CKXRKTFKSLHCQF-CQSZACIVSA-N 1 2 299.802 0.703 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001342727020 923074624 /nfs/dbraw/zinc/07/46/24/923074624.db2.gz GVDWIEROUJSOBG-VXGBXAGGSA-N 1 2 271.361 0.207 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001342727020 923074642 /nfs/dbraw/zinc/07/46/42/923074642.db2.gz GVDWIEROUJSOBG-VXGBXAGGSA-N 1 2 271.361 0.207 20 30 CCEDLO COc1cc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)on1 ZINC001419951290 923185066 /nfs/dbraw/zinc/18/50/66/923185066.db2.gz CPHCDWXBQPXNOP-SNVBAGLBSA-N 1 2 280.328 0.733 20 30 CCEDLO COc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)on1 ZINC001419951290 923185074 /nfs/dbraw/zinc/18/50/74/923185074.db2.gz CPHCDWXBQPXNOP-SNVBAGLBSA-N 1 2 280.328 0.733 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001420230661 923437360 /nfs/dbraw/zinc/43/73/60/923437360.db2.gz JAHCGMBPVYUBNW-UHFFFAOYSA-N 1 2 294.746 0.767 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001420230661 923437372 /nfs/dbraw/zinc/43/73/72/923437372.db2.gz JAHCGMBPVYUBNW-UHFFFAOYSA-N 1 2 294.746 0.767 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001420602920 923813834 /nfs/dbraw/zinc/81/38/34/923813834.db2.gz ZTTBFCWWJYKQMT-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001420602920 923813844 /nfs/dbraw/zinc/81/38/44/923813844.db2.gz ZTTBFCWWJYKQMT-SECBINFHSA-N 1 2 284.747 0.985 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001346199044 924106097 /nfs/dbraw/zinc/10/60/97/924106097.db2.gz LIQLMFRXOVWINB-OLZOCXBDSA-N 1 2 295.383 0.721 20 30 CCEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001346199044 924106105 /nfs/dbraw/zinc/10/61/05/924106105.db2.gz LIQLMFRXOVWINB-OLZOCXBDSA-N 1 2 295.383 0.721 20 30 CCEDLO Cc1cc(C)n(CC[NH+]2CC(N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001421053013 924119182 /nfs/dbraw/zinc/11/91/82/924119182.db2.gz QEKBTMBBDQVPHG-NSHDSACASA-N 1 2 289.383 0.802 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1C[NH+](CCc2ccnn2C)C1 ZINC001421051781 924119835 /nfs/dbraw/zinc/11/98/35/924119835.db2.gz MPCFSBXSUSRJFD-NSHDSACASA-N 1 2 275.356 0.265 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@](F)(C#N)C1 ZINC001346813391 924314599 /nfs/dbraw/zinc/31/45/99/924314599.db2.gz UEOBUSZCSSHMSX-GFCCVEGCSA-N 1 2 250.277 0.817 20 30 CCEDLO C=CCn1cc(CNC(=O)CCc2[nH+]ccn2C)nn1 ZINC001347182187 924391730 /nfs/dbraw/zinc/39/17/30/924391730.db2.gz AGRYJGVKEOOUCZ-UHFFFAOYSA-N 1 2 274.328 0.447 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1coc(CN(C)C)n1 ZINC001347450405 924450324 /nfs/dbraw/zinc/45/03/24/924450324.db2.gz WMSAYKCVEZYPRD-ZDUSSCGKSA-N 1 2 290.367 0.450 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1coc(CN(C)C)n1 ZINC001347450405 924450325 /nfs/dbraw/zinc/45/03/25/924450325.db2.gz WMSAYKCVEZYPRD-ZDUSSCGKSA-N 1 2 290.367 0.450 20 30 CCEDLO C[C@H](C(=O)NCC1(C#N)CCOCC1)n1cc[nH+]c1 ZINC001347609230 924493922 /nfs/dbraw/zinc/49/39/22/924493922.db2.gz OVKNFCRFIUMHEV-LLVKDONJSA-N 1 2 262.313 0.881 20 30 CCEDLO N#C[C@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001347797641 924540510 /nfs/dbraw/zinc/54/05/10/924540510.db2.gz VESIOSQJBSGOPV-CYBMUJFWSA-N 1 2 284.319 0.475 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349878241 925082525 /nfs/dbraw/zinc/08/25/25/925082525.db2.gz BPDWFGJTYHFUIE-KBPBESRZSA-N 1 2 298.431 0.106 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001350316490 925167881 /nfs/dbraw/zinc/16/78/81/925167881.db2.gz YEYUZPKTVAXOPP-NSHDSACASA-N 1 2 264.329 0.539 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001350316490 925167885 /nfs/dbraw/zinc/16/78/85/925167885.db2.gz YEYUZPKTVAXOPP-NSHDSACASA-N 1 2 264.329 0.539 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H](C)COC ZINC001350640768 925247473 /nfs/dbraw/zinc/24/74/73/925247473.db2.gz RTPKSJCGBULSAI-LBPRGKRZSA-N 1 2 294.355 0.049 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C)CO1 ZINC001300612502 926110166 /nfs/dbraw/zinc/11/01/66/926110166.db2.gz AZYNJCDUKUFKRD-NNYUYHANSA-N 1 2 251.330 0.371 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C)CO1 ZINC001300612502 926110173 /nfs/dbraw/zinc/11/01/73/926110173.db2.gz AZYNJCDUKUFKRD-NNYUYHANSA-N 1 2 251.330 0.371 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001358540664 926739122 /nfs/dbraw/zinc/73/91/22/926739122.db2.gz ADQQNHLWEAJLNK-LBPRGKRZSA-N 1 2 290.367 0.860 20 30 CCEDLO CC(C)C#CC(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358643906 926769716 /nfs/dbraw/zinc/76/97/16/926769716.db2.gz UQKXQAXLVPBAKN-CYBMUJFWSA-N 1 2 288.351 0.329 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001421959177 927009178 /nfs/dbraw/zinc/00/91/78/927009178.db2.gz CZQQWRCXCIKIOM-NWDGAFQWSA-N 1 2 272.370 0.162 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001421959177 927009187 /nfs/dbraw/zinc/00/91/87/927009187.db2.gz CZQQWRCXCIKIOM-NWDGAFQWSA-N 1 2 272.370 0.162 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362267396 927800894 /nfs/dbraw/zinc/80/08/94/927800894.db2.gz IVOCVPABPCSHQK-SWLSCSKDSA-N 1 2 293.367 0.822 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001424277150 928142991 /nfs/dbraw/zinc/14/29/91/928142991.db2.gz XHEHKYHXIPNATE-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001424277150 928143000 /nfs/dbraw/zinc/14/30/00/928143000.db2.gz XHEHKYHXIPNATE-SNVBAGLBSA-N 1 2 279.344 0.818 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424328646 928161666 /nfs/dbraw/zinc/16/16/66/928161666.db2.gz GZSFKPMBITWPOW-ZJUUUORDSA-N 1 2 277.328 0.075 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001424545757 928212587 /nfs/dbraw/zinc/21/25/87/928212587.db2.gz UWQBTRFUMUFCGB-ZJUUUORDSA-N 1 2 289.339 0.075 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1C#N ZINC001363250348 929026464 /nfs/dbraw/zinc/02/64/64/929026464.db2.gz SPOKDAHWNIRIRZ-FZMZJTMJSA-N 1 2 290.319 0.130 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1C#N ZINC001363250348 929026476 /nfs/dbraw/zinc/02/64/76/929026476.db2.gz SPOKDAHWNIRIRZ-FZMZJTMJSA-N 1 2 290.319 0.130 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001428944787 929348025 /nfs/dbraw/zinc/34/80/25/929348025.db2.gz RPJHNRJCZHKKGR-HBNTYKKESA-N 1 2 289.339 0.075 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001443604590 929659683 /nfs/dbraw/zinc/65/96/83/929659683.db2.gz ZERCVPBWWDXKDW-MRVPVSSYSA-N 1 2 273.764 0.298 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001372019236 929704347 /nfs/dbraw/zinc/70/43/47/929704347.db2.gz GQPHGEIGSLPZDI-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001372019236 929704359 /nfs/dbraw/zinc/70/43/59/929704359.db2.gz GQPHGEIGSLPZDI-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC001372139906 929745837 /nfs/dbraw/zinc/74/58/37/929745837.db2.gz ZBCXKKXRVHGNLF-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC001372139906 929745845 /nfs/dbraw/zinc/74/58/45/929745845.db2.gz ZBCXKKXRVHGNLF-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO C#CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(=O)[O-] ZINC001588421294 983440134 /nfs/dbraw/zinc/44/01/34/983440134.db2.gz GIKSNPCZDCUQJZ-CYBMUJFWSA-N 1 2 296.367 0.470 20 30 CCEDLO C[C@@H]1OCC[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000092369089 349491606 /nfs/dbraw/zinc/49/16/06/349491606.db2.gz URYYPFKDSSOQGA-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCN(CCOC)C(=O)C1 ZINC000091830469 349477092 /nfs/dbraw/zinc/47/70/92/349477092.db2.gz UZXIDTPDFNSOLY-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000091830469 349477095 /nfs/dbraw/zinc/47/70/95/349477095.db2.gz UZXIDTPDFNSOLY-LBPRGKRZSA-N 1 2 256.346 0.104 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCSc1nnc(CC#N)n1C ZINC000357063441 260124019 /nfs/dbraw/zinc/12/40/19/260124019.db2.gz ZTGSCDLVJLYRGB-JTQLQIEISA-N 1 2 281.385 0.694 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)C1 ZINC000083172397 178349184 /nfs/dbraw/zinc/34/91/84/178349184.db2.gz KAAMLSRKLQNPQY-STQMWFEESA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)C1 ZINC000083172397 178349186 /nfs/dbraw/zinc/34/91/86/178349186.db2.gz KAAMLSRKLQNPQY-STQMWFEESA-N 1 2 260.293 0.839 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231330 361898289 /nfs/dbraw/zinc/89/82/89/361898289.db2.gz FBSXZIRBLUUBSD-DOMZBBRYSA-N 1 2 295.383 0.268 20 30 CCEDLO C[C@H](CC#N)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231330 361898291 /nfs/dbraw/zinc/89/82/91/361898291.db2.gz FBSXZIRBLUUBSD-DOMZBBRYSA-N 1 2 295.383 0.268 20 30 CCEDLO CC(C)N(C)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000096980944 185145201 /nfs/dbraw/zinc/14/52/01/185145201.db2.gz VBXNEYCAPDYXNL-UHFFFAOYSA-N 1 2 296.415 0.401 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000600422993 361958482 /nfs/dbraw/zinc/95/84/82/361958482.db2.gz YOEVSEZVOGFSSX-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000600422993 361958485 /nfs/dbraw/zinc/95/84/85/361958485.db2.gz YOEVSEZVOGFSSX-LBPRGKRZSA-N 1 2 275.308 0.324 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000367009863 529487635 /nfs/dbraw/zinc/48/76/35/529487635.db2.gz OLUTYWCVLGWPLA-HNNXBMFYSA-N 1 2 294.399 0.549 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000367009863 529487637 /nfs/dbraw/zinc/48/76/37/529487637.db2.gz OLUTYWCVLGWPLA-HNNXBMFYSA-N 1 2 294.399 0.549 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000103149503 349691966 /nfs/dbraw/zinc/69/19/66/349691966.db2.gz VEDGQQUVOSKCAX-CYBMUJFWSA-N 1 2 260.293 0.932 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000103149503 349691970 /nfs/dbraw/zinc/69/19/70/349691970.db2.gz VEDGQQUVOSKCAX-CYBMUJFWSA-N 1 2 260.293 0.932 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C23CC(C2)C3)c1C#N ZINC000600815103 362067908 /nfs/dbraw/zinc/06/79/08/362067908.db2.gz OHBGAEUJKODJNK-UHFFFAOYSA-N 1 2 273.340 0.594 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000126422013 187238597 /nfs/dbraw/zinc/23/85/97/187238597.db2.gz LIFKMQFEEATJSK-QWRGUYRKSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)CCCCC#N)CC[N@@H+]1CCO ZINC000188724191 260185175 /nfs/dbraw/zinc/18/51/75/260185175.db2.gz BMZWDGCJOLFQOH-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)CCCCC#N)CC[N@H+]1CCO ZINC000188724191 260185177 /nfs/dbraw/zinc/18/51/77/260185177.db2.gz BMZWDGCJOLFQOH-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617732867 365742288 /nfs/dbraw/zinc/74/22/88/365742288.db2.gz KDIPYTBOLUVUMU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617732867 365742293 /nfs/dbraw/zinc/74/22/93/365742293.db2.gz KDIPYTBOLUVUMU-NEPJUHHUSA-N 1 2 256.346 0.414 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000330162603 529781264 /nfs/dbraw/zinc/78/12/64/529781264.db2.gz UQZABCJXTDPRHW-ZCFIWIBFSA-N 1 2 293.249 0.611 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000330162603 529781265 /nfs/dbraw/zinc/78/12/65/529781265.db2.gz UQZABCJXTDPRHW-ZCFIWIBFSA-N 1 2 293.249 0.611 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000330030542 529785116 /nfs/dbraw/zinc/78/51/16/529785116.db2.gz RUWDMKPCNOWIDO-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000330030542 529785117 /nfs/dbraw/zinc/78/51/17/529785117.db2.gz RUWDMKPCNOWIDO-ZIAGYGMSSA-N 1 2 290.367 0.553 20 30 CCEDLO CC(C)NC(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595596 349859607 /nfs/dbraw/zinc/85/96/07/349859607.db2.gz NHMQJDAWQUILIY-CYBMUJFWSA-N 1 2 274.324 0.199 20 30 CCEDLO CC(C)(CNS(=O)(=O)CCCC#N)n1cc[nH+]c1 ZINC000601525523 362300290 /nfs/dbraw/zinc/30/02/90/362300290.db2.gz BGRBXXIILDVGQO-UHFFFAOYSA-N 1 2 270.358 0.841 20 30 CCEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(C#N)cc1 ZINC000601741473 362375543 /nfs/dbraw/zinc/37/55/43/362375543.db2.gz WEWIYWQVHRGSEC-CQSZACIVSA-N 1 2 273.336 0.961 20 30 CCEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(C#N)cc1 ZINC000601741473 362375545 /nfs/dbraw/zinc/37/55/45/362375545.db2.gz WEWIYWQVHRGSEC-CQSZACIVSA-N 1 2 273.336 0.961 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080510 260218505 /nfs/dbraw/zinc/21/85/05/260218505.db2.gz CBYQAYZSBNNREQ-WDEREUQCSA-N 1 2 274.390 0.101 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)N(C)CCC#N ZINC000408080510 260218508 /nfs/dbraw/zinc/21/85/08/260218508.db2.gz CBYQAYZSBNNREQ-WDEREUQCSA-N 1 2 274.390 0.101 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000602335733 362590002 /nfs/dbraw/zinc/59/00/02/362590002.db2.gz NAHWLNRZNYXCBA-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000602335733 362590009 /nfs/dbraw/zinc/59/00/09/362590009.db2.gz NAHWLNRZNYXCBA-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2nccc(C#N)n2)C1 ZINC000295118074 199353711 /nfs/dbraw/zinc/35/37/11/199353711.db2.gz WHCHVABGZMGNTP-CQSZACIVSA-N 1 2 287.367 0.895 20 30 CCEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2nccc(C#N)n2)C1 ZINC000295118074 199353713 /nfs/dbraw/zinc/35/37/13/199353713.db2.gz WHCHVABGZMGNTP-CQSZACIVSA-N 1 2 287.367 0.895 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc(C#N)n1 ZINC000602488116 362641357 /nfs/dbraw/zinc/64/13/57/362641357.db2.gz ZMSITJOBEHCCGE-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc(C#N)n1 ZINC000602488116 362641363 /nfs/dbraw/zinc/64/13/63/362641363.db2.gz ZMSITJOBEHCCGE-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)C[C@@H](CO)O1 ZINC000602696677 362757339 /nfs/dbraw/zinc/75/73/39/362757339.db2.gz FHCMOMQFGFKOHL-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)C[C@@H](CO)O1 ZINC000602696677 362757345 /nfs/dbraw/zinc/75/73/45/362757345.db2.gz FHCMOMQFGFKOHL-ZDUSSCGKSA-N 1 2 261.325 0.925 20 30 CCEDLO COC(=O)c1cccc(C[NH+](CCO)CCO)c1C#N ZINC000533760710 290800126 /nfs/dbraw/zinc/80/01/26/290800126.db2.gz GJAYKKSHJNKLDH-UHFFFAOYSA-N 1 2 278.308 0.131 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc[nH]c(=O)c1 ZINC000602784184 362798382 /nfs/dbraw/zinc/79/83/82/362798382.db2.gz QSAXNZHWIJWMMN-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cc[nH]c(=O)c1 ZINC000602784184 362798390 /nfs/dbraw/zinc/79/83/90/362798390.db2.gz QSAXNZHWIJWMMN-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cc[nH]c(=O)c1 ZINC000602784184 362798396 /nfs/dbraw/zinc/79/83/96/362798396.db2.gz QSAXNZHWIJWMMN-UHFFFAOYSA-N 1 2 290.367 0.835 20 30 CCEDLO C[C@@H](C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)S(C)(=O)=O ZINC000602847342 362834288 /nfs/dbraw/zinc/83/42/88/362834288.db2.gz AKQIWPDYWZKXES-TUAOUCFPSA-N 1 2 273.402 0.338 20 30 CCEDLO C[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)S(C)(=O)=O ZINC000602847342 362834289 /nfs/dbraw/zinc/83/42/89/362834289.db2.gz AKQIWPDYWZKXES-TUAOUCFPSA-N 1 2 273.402 0.338 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CN3CCN4C(=O)NC[C@@H]4C3)n2c1 ZINC000091864509 136804920 /nfs/dbraw/zinc/80/49/20/136804920.db2.gz YYGGMCJAXZRCHM-GFCCVEGCSA-N 1 2 296.334 0.415 20 30 CCEDLO Cc1ncc(S(=O)(=O)NCCn2cc[nH+]c2)cc1C#N ZINC000312496010 137077516 /nfs/dbraw/zinc/07/75/16/137077516.db2.gz DDKHMNQLECEBMM-UHFFFAOYSA-N 1 2 291.336 0.437 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)o1 ZINC000344227019 137185102 /nfs/dbraw/zinc/18/51/02/137185102.db2.gz UQKWGGNKMXHEOR-UHFFFAOYSA-N 1 2 266.282 0.326 20 30 CCEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000019488191 348063616 /nfs/dbraw/zinc/06/36/16/348063616.db2.gz ZIMYVMNIGZSNJP-UHFFFAOYSA-N 1 2 259.309 0.620 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@H](CC(C)C)C2=O)CC1 ZINC000029436553 348112451 /nfs/dbraw/zinc/11/24/51/348112451.db2.gz JMESEPJLEVUIFO-CYBMUJFWSA-N 1 2 292.383 0.161 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000034673847 348151513 /nfs/dbraw/zinc/15/15/13/348151513.db2.gz VZOLKDUBPUZTRO-CYBMUJFWSA-N 1 2 262.309 0.630 20 30 CCEDLO Cn1nnnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908277 362879671 /nfs/dbraw/zinc/87/96/71/362879671.db2.gz BUJYNHRGFIZWKJ-UHFFFAOYSA-N 1 2 283.339 0.856 20 30 CCEDLO CC(C)[C@@H](CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000046025327 348347507 /nfs/dbraw/zinc/34/75/07/348347507.db2.gz QSWCCPFHJBJMAJ-GFCCVEGCSA-N 1 2 285.413 0.716 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974920 362915545 /nfs/dbraw/zinc/91/55/45/362915545.db2.gz VWBAOPBFCUNLIH-WDEREUQCSA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974920 362915548 /nfs/dbraw/zinc/91/55/48/362915548.db2.gz VWBAOPBFCUNLIH-WDEREUQCSA-N 1 2 267.329 0.290 20 30 CCEDLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975067 362918414 /nfs/dbraw/zinc/91/84/14/362918414.db2.gz YGALKHLZYFMFLB-KOLCDFICSA-N 1 2 264.329 0.599 20 30 CCEDLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975067 362918418 /nfs/dbraw/zinc/91/84/18/362918418.db2.gz YGALKHLZYFMFLB-KOLCDFICSA-N 1 2 264.329 0.599 20 30 CCEDLO CCN(CC)C(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000053432694 348529909 /nfs/dbraw/zinc/52/99/09/348529909.db2.gz BPICYTKVSHUPJQ-UHFFFAOYSA-N 1 2 266.389 0.776 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(CCCC#N)CC1 ZINC000053432694 348529911 /nfs/dbraw/zinc/52/99/11/348529911.db2.gz BPICYTKVSHUPJQ-UHFFFAOYSA-N 1 2 266.389 0.776 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC)CC(=O)NC ZINC000056509028 348591905 /nfs/dbraw/zinc/59/19/05/348591905.db2.gz RRFMNYCSDRSMKI-UHFFFAOYSA-N 1 2 267.373 0.645 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC)CC(=O)NC ZINC000056509028 348591907 /nfs/dbraw/zinc/59/19/07/348591907.db2.gz RRFMNYCSDRSMKI-UHFFFAOYSA-N 1 2 267.373 0.645 20 30 CCEDLO Cc1nc(C2([NH2+]CC(=O)NCC#N)CCCCC2)no1 ZINC000066496459 348745703 /nfs/dbraw/zinc/74/57/03/348745703.db2.gz OXKMPPZFIHJLPB-UHFFFAOYSA-N 1 2 277.328 0.767 20 30 CCEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000068765872 348820549 /nfs/dbraw/zinc/82/05/49/348820549.db2.gz ILKKUUFVXMOJPL-GFCCVEGCSA-N 1 2 265.338 0.572 20 30 CCEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000068765872 348820553 /nfs/dbraw/zinc/82/05/53/348820553.db2.gz ILKKUUFVXMOJPL-GFCCVEGCSA-N 1 2 265.338 0.572 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3=O)CC2)cc1 ZINC000073620244 348956814 /nfs/dbraw/zinc/95/68/14/348956814.db2.gz UIJIQGWAKILEQQ-OAHLLOKOSA-N 1 2 285.347 0.991 20 30 CCEDLO C#CC[NH+](CC#C)CCc1nnnn1-c1ccccc1 ZINC000076185301 349072987 /nfs/dbraw/zinc/07/29/87/349072987.db2.gz NGVITEVMDQZCRA-UHFFFAOYSA-N 1 2 265.320 0.773 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000076668003 349089692 /nfs/dbraw/zinc/08/96/92/349089692.db2.gz IGYHYUVGAIOITR-UHFFFAOYSA-N 1 2 297.362 0.316 20 30 CCEDLO Cc1cccc(N2CC[NH+](CC(=O)NCC#N)CC2)c1 ZINC000076668292 349089857 /nfs/dbraw/zinc/08/98/57/349089857.db2.gz FEXXRURYHCJINQ-UHFFFAOYSA-N 1 2 272.352 0.757 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000078587128 349144334 /nfs/dbraw/zinc/14/43/34/349144334.db2.gz AJYVIZOWBLIRIR-LLVKDONJSA-N 1 2 255.362 0.477 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000078587128 349144336 /nfs/dbraw/zinc/14/43/36/349144336.db2.gz AJYVIZOWBLIRIR-LLVKDONJSA-N 1 2 255.362 0.477 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079312132 349173092 /nfs/dbraw/zinc/17/30/92/349173092.db2.gz GTEXBVWWVAHHIQ-NWDGAFQWSA-N 1 2 268.361 0.508 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125785319 350129213 /nfs/dbraw/zinc/12/92/13/350129213.db2.gz PIAMHDXZVZLVDX-SNVBAGLBSA-N 1 2 261.329 0.528 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2n[nH]cc2C1 ZINC000125785319 350129218 /nfs/dbraw/zinc/12/92/18/350129218.db2.gz PIAMHDXZVZLVDX-SNVBAGLBSA-N 1 2 261.329 0.528 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000168988699 350834398 /nfs/dbraw/zinc/83/43/98/350834398.db2.gz LBANYZOMVHYNCH-CYBMUJFWSA-N 1 2 294.376 0.646 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000168988699 350834402 /nfs/dbraw/zinc/83/44/02/350834402.db2.gz LBANYZOMVHYNCH-CYBMUJFWSA-N 1 2 294.376 0.646 20 30 CCEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000172670747 351004355 /nfs/dbraw/zinc/00/43/55/351004355.db2.gz RNMXRVUWTAJXIT-UHFFFAOYSA-N 1 2 279.365 0.803 20 30 CCEDLO C[N@H+](CCO)Cc1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603220734 363006364 /nfs/dbraw/zinc/00/63/64/363006364.db2.gz HHLLLAWWEYIAST-CQSZACIVSA-N 1 2 271.324 0.815 20 30 CCEDLO C[N@@H+](CCO)Cc1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603220734 363006369 /nfs/dbraw/zinc/00/63/69/363006369.db2.gz HHLLLAWWEYIAST-CQSZACIVSA-N 1 2 271.324 0.815 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000174051862 351068414 /nfs/dbraw/zinc/06/84/14/351068414.db2.gz CCESLIKFDZYSQU-LBPRGKRZSA-N 1 2 278.356 0.918 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000174525825 351089685 /nfs/dbraw/zinc/08/96/85/351089685.db2.gz SDQKPSRBCWPSOG-AWEZNQCLSA-N 1 2 290.363 0.357 20 30 CCEDLO N#Cc1cnccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603254307 363024771 /nfs/dbraw/zinc/02/47/71/363024771.db2.gz MUWSSYAQYDHKEI-UHFFFAOYSA-N 1 2 298.350 0.468 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1CCO ZINC000188781758 351627766 /nfs/dbraw/zinc/62/77/66/351627766.db2.gz IKVBKARTSNBJDN-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1CCO ZINC000188781758 351627768 /nfs/dbraw/zinc/62/77/68/351627768.db2.gz IKVBKARTSNBJDN-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)CCO1 ZINC000603358886 363086780 /nfs/dbraw/zinc/08/67/80/363086780.db2.gz NJNHTHRXNYKBOJ-VIFPVBQESA-N 1 2 265.273 0.384 20 30 CCEDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)CCO1 ZINC000603358886 363086781 /nfs/dbraw/zinc/08/67/81/363086781.db2.gz NJNHTHRXNYKBOJ-VIFPVBQESA-N 1 2 265.273 0.384 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000192062730 351782878 /nfs/dbraw/zinc/78/28/78/351782878.db2.gz MOXOZDTYWDWIIZ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000192062730 351782880 /nfs/dbraw/zinc/78/28/80/351782880.db2.gz MOXOZDTYWDWIIZ-LBPRGKRZSA-N 1 2 274.299 0.907 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271551389 191206685 /nfs/dbraw/zinc/20/66/85/191206685.db2.gz LNOLZIYSSLAJGP-OLZOCXBDSA-N 1 2 291.376 0.494 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000271551389 191206688 /nfs/dbraw/zinc/20/66/88/191206688.db2.gz LNOLZIYSSLAJGP-OLZOCXBDSA-N 1 2 291.376 0.494 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265640482 352652267 /nfs/dbraw/zinc/65/22/67/352652267.db2.gz JOGUXDLJOYFGPH-STQMWFEESA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265640482 352652269 /nfs/dbraw/zinc/65/22/69/352652269.db2.gz JOGUXDLJOYFGPH-STQMWFEESA-N 1 2 279.384 0.738 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265742518 352660756 /nfs/dbraw/zinc/66/07/56/352660756.db2.gz FMHNTTVOICLQIC-NSHDSACASA-N 1 2 266.370 0.937 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC(N)=O)CC2)cc1 ZINC000266831432 352724997 /nfs/dbraw/zinc/72/49/97/352724997.db2.gz MUFPGODNMFPYMX-UHFFFAOYSA-N 1 2 286.335 0.078 20 30 CCEDLO CCCNC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267391705 352764192 /nfs/dbraw/zinc/76/41/92/352764192.db2.gz NPGHLMYPHJRLDC-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO CCOCCC=NNC(=S)NCC[NH+]1CCOCC1 ZINC000788416049 581110418 /nfs/dbraw/zinc/11/04/18/581110418.db2.gz UROVMXZUFDDWBC-UHFFFAOYSA-N 1 2 288.417 0.195 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)ccn1)[C@H](C)[NH+]1CCOCC1 ZINC000283230947 353492329 /nfs/dbraw/zinc/49/23/29/353492329.db2.gz YWJPREAFGFFORM-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294087765 353867593 /nfs/dbraw/zinc/86/75/93/353867593.db2.gz XIGPXRPFQNVCSV-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294087765 353867595 /nfs/dbraw/zinc/86/75/95/353867595.db2.gz XIGPXRPFQNVCSV-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000299337883 354009852 /nfs/dbraw/zinc/00/98/52/354009852.db2.gz PXSWKXJZZJTRGM-UHFFFAOYSA-N 1 2 272.352 0.680 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000305991929 354170642 /nfs/dbraw/zinc/17/06/42/354170642.db2.gz JJLISNBJDLXZMS-GARJFASQSA-N 1 2 252.314 0.315 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000305991929 354170646 /nfs/dbraw/zinc/17/06/46/354170646.db2.gz JJLISNBJDLXZMS-GARJFASQSA-N 1 2 252.314 0.315 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CO)CC1 ZINC000305741186 354157802 /nfs/dbraw/zinc/15/78/02/354157802.db2.gz RUKNXRONXZFZPY-GFCCVEGCSA-N 1 2 273.336 0.756 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3C#N)C[C@@H]21 ZINC000331769608 283004803 /nfs/dbraw/zinc/00/48/03/283004803.db2.gz MSWNVDMZDXGLTK-MROQNXINSA-N 1 2 278.356 0.403 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3C#N)C[C@@H]21 ZINC000331769608 283004810 /nfs/dbraw/zinc/00/48/10/283004810.db2.gz MSWNVDMZDXGLTK-MROQNXINSA-N 1 2 278.356 0.403 20 30 CCEDLO Cc1nc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1C#N ZINC000329993830 354282889 /nfs/dbraw/zinc/28/28/89/354282889.db2.gz YSIKYQQSSZOXTP-UONOGXRCSA-N 1 2 286.335 0.417 20 30 CCEDLO Cc1nc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1C#N ZINC000329993830 354282891 /nfs/dbraw/zinc/28/28/91/354282891.db2.gz YSIKYQQSSZOXTP-UONOGXRCSA-N 1 2 286.335 0.417 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000331895759 354619107 /nfs/dbraw/zinc/61/91/07/354619107.db2.gz RSSPQGOACPZEHT-WCQYABFASA-N 1 2 283.397 0.205 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000331895759 354619109 /nfs/dbraw/zinc/61/91/09/354619109.db2.gz RSSPQGOACPZEHT-WCQYABFASA-N 1 2 283.397 0.205 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000333781964 354793239 /nfs/dbraw/zinc/79/32/39/354793239.db2.gz BVMMANGBZHJKDD-ZIAGYGMSSA-N 1 2 271.320 0.648 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000333781964 354793240 /nfs/dbraw/zinc/79/32/40/354793240.db2.gz BVMMANGBZHJKDD-ZIAGYGMSSA-N 1 2 271.320 0.648 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334810163 354935450 /nfs/dbraw/zinc/93/54/50/354935450.db2.gz HUYIPWLNXGQMHK-UONOGXRCSA-N 1 2 275.352 0.829 20 30 CCEDLO C=CCn1cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334810163 354935455 /nfs/dbraw/zinc/93/54/55/354935455.db2.gz HUYIPWLNXGQMHK-UONOGXRCSA-N 1 2 275.352 0.829 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336929996 355228753 /nfs/dbraw/zinc/22/87/53/355228753.db2.gz OURLIDXWAGMWCK-VIFPVBQESA-N 1 2 256.269 0.475 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](COC)C2)C1=O ZINC000337176571 355277678 /nfs/dbraw/zinc/27/76/78/355277678.db2.gz JLLFQLZIZGDQOP-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](COC)C2)C1=O ZINC000337176571 355277681 /nfs/dbraw/zinc/27/76/81/355277681.db2.gz JLLFQLZIZGDQOP-NEPJUHHUSA-N 1 2 254.330 0.121 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340655773 355587945 /nfs/dbraw/zinc/58/79/45/355587945.db2.gz LVVDHDNBDOKRKP-LBPRGKRZSA-N 1 2 294.355 0.049 20 30 CCEDLO COc1cc(C[NH2+]Cc2cn(C)nn2)ccc1C#N ZINC000353179989 356171960 /nfs/dbraw/zinc/17/19/60/356171960.db2.gz CLQJOWHZEJCKJB-UHFFFAOYSA-N 1 2 257.297 0.985 20 30 CCEDLO N#Cc1ncn(CCNC(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC000353358856 356208743 /nfs/dbraw/zinc/20/87/43/356208743.db2.gz ZIHQPKQRRZLEEA-UHFFFAOYSA-N 1 2 296.294 0.619 20 30 CCEDLO CO[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352878 138030652 /nfs/dbraw/zinc/03/06/52/138030652.db2.gz RNJSKXSPWIZMAE-OLZOCXBDSA-N 1 2 259.309 0.805 20 30 CCEDLO CO[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352878 138030653 /nfs/dbraw/zinc/03/06/53/138030653.db2.gz RNJSKXSPWIZMAE-OLZOCXBDSA-N 1 2 259.309 0.805 20 30 CCEDLO CO[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352879 138030994 /nfs/dbraw/zinc/03/09/94/138030994.db2.gz RNJSKXSPWIZMAE-QWHCGFSZSA-N 1 2 259.309 0.805 20 30 CCEDLO CO[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352879 138030995 /nfs/dbraw/zinc/03/09/95/138030995.db2.gz RNJSKXSPWIZMAE-QWHCGFSZSA-N 1 2 259.309 0.805 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CCn2cc[nH+]c2)nc1 ZINC000361000389 138018739 /nfs/dbraw/zinc/01/87/39/138018739.db2.gz ANMGYDCBABHERM-UHFFFAOYSA-N 1 2 262.294 0.624 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741891 291089805 /nfs/dbraw/zinc/08/98/05/291089805.db2.gz GZNAWFSJKKPQIL-CMPLNLGQSA-N 1 2 295.364 0.182 20 30 CCEDLO C[C@H]1C[C@@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741891 291089809 /nfs/dbraw/zinc/08/98/09/291089809.db2.gz GZNAWFSJKKPQIL-CMPLNLGQSA-N 1 2 295.364 0.182 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000609485113 363498725 /nfs/dbraw/zinc/49/87/25/363498725.db2.gz JIYOFIUWSUTSRI-AWEZNQCLSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355108780 356580059 /nfs/dbraw/zinc/58/00/59/356580059.db2.gz SYIKBWZNLATTOB-GFCCVEGCSA-N 1 2 287.367 0.552 20 30 CCEDLO Cn1ncc(C(=O)N2CC[NH+](C3CC3)CC2)c1C#N ZINC000355260281 356621212 /nfs/dbraw/zinc/62/12/12/356621212.db2.gz AXMRETHCXADDAU-UHFFFAOYSA-N 1 2 259.313 0.212 20 30 CCEDLO COC(=O)[C@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000355657322 356629672 /nfs/dbraw/zinc/62/96/72/356629672.db2.gz WWGRBAMDFDVAMZ-VIFPVBQESA-N 1 2 258.281 0.857 20 30 CCEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)OC ZINC000619702494 366326557 /nfs/dbraw/zinc/32/65/57/366326557.db2.gz NOXJYOUCRDQLJU-PKFCDNJMSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000619715718 366332949 /nfs/dbraw/zinc/33/29/49/366332949.db2.gz CRGKHXNTXHSKQL-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000619715718 366332953 /nfs/dbraw/zinc/33/29/53/366332953.db2.gz CRGKHXNTXHSKQL-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO COCC1(O)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356121121 356706951 /nfs/dbraw/zinc/70/69/51/356706951.db2.gz IZLFBFDDGUANAH-UHFFFAOYSA-N 1 2 267.354 0.988 20 30 CCEDLO C[C@@H](CNC(=O)c1cnn(C)c1C#N)Cn1cc[nH+]c1 ZINC000356151112 356712368 /nfs/dbraw/zinc/71/23/68/356712368.db2.gz XMWFATIOORBYNQ-JTQLQIEISA-N 1 2 272.312 0.554 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374010942 357393342 /nfs/dbraw/zinc/39/33/42/357393342.db2.gz ATXFQOMRHLQGMN-YDHLFZDLSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374010942 357393344 /nfs/dbraw/zinc/39/33/44/357393344.db2.gz ATXFQOMRHLQGMN-YDHLFZDLSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)n1C ZINC000448710847 236001648 /nfs/dbraw/zinc/00/16/48/236001648.db2.gz VUTFYOCVAFXTLP-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000448906195 236006803 /nfs/dbraw/zinc/00/68/03/236006803.db2.gz FIZFCHMIELUDTG-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000448906195 236006804 /nfs/dbraw/zinc/00/68/04/236006804.db2.gz FIZFCHMIELUDTG-NSHDSACASA-N 1 2 276.340 0.347 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604273 363584616 /nfs/dbraw/zinc/58/46/16/363584616.db2.gz LJDFOFGHLCVRBK-RTXFEEFZSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604273 363584620 /nfs/dbraw/zinc/58/46/20/363584620.db2.gz LJDFOFGHLCVRBK-RTXFEEFZSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614786 363586254 /nfs/dbraw/zinc/58/62/54/363586254.db2.gz QDEHAHGKPBQHKX-HONMWMINSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614786 363586253 /nfs/dbraw/zinc/58/62/53/363586253.db2.gz QDEHAHGKPBQHKX-HONMWMINSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382679957 357713955 /nfs/dbraw/zinc/71/39/55/357713955.db2.gz ZYWRUAVZPRQPLP-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2nccc(C#N)n2)C1 ZINC000400790477 357795669 /nfs/dbraw/zinc/79/56/69/357795669.db2.gz UBEFPAWCRSGGSD-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2nccc(C#N)n2)C1 ZINC000400790477 357795674 /nfs/dbraw/zinc/79/56/74/357795674.db2.gz UBEFPAWCRSGGSD-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO Cc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000563220376 358557039 /nfs/dbraw/zinc/55/70/39/358557039.db2.gz MEDTWKXDNDYUCO-CYBMUJFWSA-N 1 2 261.329 0.667 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CCNC(C)=O ZINC000567896777 358609053 /nfs/dbraw/zinc/60/90/53/358609053.db2.gz NVQJDWHTWWIOBC-UHFFFAOYSA-N 1 2 253.346 0.255 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CCNC(C)=O ZINC000567896777 358609056 /nfs/dbraw/zinc/60/90/56/358609056.db2.gz NVQJDWHTWWIOBC-UHFFFAOYSA-N 1 2 253.346 0.255 20 30 CCEDLO CC(=O)NCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000569925011 358805926 /nfs/dbraw/zinc/80/59/26/358805926.db2.gz VZZZWBBXPCPVPH-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CC(=O)NCC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000569925011 358805927 /nfs/dbraw/zinc/80/59/27/358805927.db2.gz VZZZWBBXPCPVPH-UHFFFAOYSA-N 1 2 288.351 0.242 20 30 CCEDLO CCn1cc[nH+]c1CNC(=O)Cc1noc(C)c1C#N ZINC000574054612 359024954 /nfs/dbraw/zinc/02/49/54/359024954.db2.gz WVWDTRQCUPDUGT-UHFFFAOYSA-N 1 2 273.296 0.930 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC000580722971 359087696 /nfs/dbraw/zinc/08/76/96/359087696.db2.gz LNPROKKRNXLALK-NXEZZACHSA-N 1 2 270.333 0.129 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000610843419 363621387 /nfs/dbraw/zinc/62/13/87/363621387.db2.gz NWPFLDFXBHNAOS-OLZOCXBDSA-N 1 2 264.373 0.431 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn[nH]c1 ZINC000610931001 363632328 /nfs/dbraw/zinc/63/23/28/363632328.db2.gz ANLCKBYDYUYYEB-UHFFFAOYSA-N 1 2 263.345 0.458 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000586769112 359287415 /nfs/dbraw/zinc/28/74/15/359287415.db2.gz HRELJBXNRHCWNO-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000586769112 359287419 /nfs/dbraw/zinc/28/74/19/359287419.db2.gz HRELJBXNRHCWNO-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000587056273 359298787 /nfs/dbraw/zinc/29/87/87/359298787.db2.gz GJNGVWJBGPHVGN-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO N#Cc1ncn(CCNC(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000588249378 359318851 /nfs/dbraw/zinc/31/88/51/359318851.db2.gz RGKFJPSAHPPCLB-UHFFFAOYSA-N 1 2 296.294 0.619 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000588215899 359318893 /nfs/dbraw/zinc/31/88/93/359318893.db2.gz GTSRIZQPHOWCTB-QWHCGFSZSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000588215899 359318895 /nfs/dbraw/zinc/31/88/95/359318895.db2.gz GTSRIZQPHOWCTB-QWHCGFSZSA-N 1 2 268.357 0.952 20 30 CCEDLO N#CCNC(=O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000588249374 359319014 /nfs/dbraw/zinc/31/90/14/359319014.db2.gz OHFCDCSIGOEDAC-UHFFFAOYSA-N 1 2 272.268 0.096 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C#N)ccn2)CC1 ZINC000585703369 359264202 /nfs/dbraw/zinc/26/42/02/359264202.db2.gz AAOLMGVDSJBNAA-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610995322 363645815 /nfs/dbraw/zinc/64/58/15/363645815.db2.gz NOIOYDSZVPZWDR-UHFFFAOYSA-N 1 2 299.378 0.373 20 30 CCEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000589448803 359382382 /nfs/dbraw/zinc/38/23/82/359382382.db2.gz PEONASSMDGAMCU-CYBMUJFWSA-N 1 2 286.335 0.500 20 30 CCEDLO C[N@@H+]1CC[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000588767531 359335862 /nfs/dbraw/zinc/33/58/62/359335862.db2.gz PZXSNGYFNHVCMO-VIFPVBQESA-N 1 2 259.313 0.471 20 30 CCEDLO C[N@H+]1CC[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000588767531 359335867 /nfs/dbraw/zinc/33/58/67/359335867.db2.gz PZXSNGYFNHVCMO-VIFPVBQESA-N 1 2 259.313 0.471 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589391566 359379742 /nfs/dbraw/zinc/37/97/42/359379742.db2.gz VLAPOVAJICXFJX-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)n1 ZINC000589391566 359379747 /nfs/dbraw/zinc/37/97/47/359379747.db2.gz VLAPOVAJICXFJX-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO N#CC1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000590491227 359477372 /nfs/dbraw/zinc/47/73/72/359477372.db2.gz WWBVSTZJMWJHKL-UHFFFAOYSA-N 1 2 286.335 0.509 20 30 CCEDLO N#CC1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000590491003 359477420 /nfs/dbraw/zinc/47/74/20/359477420.db2.gz VKQZHNNYBPWOCE-ZDUSSCGKSA-N 1 2 263.341 0.612 20 30 CCEDLO N#CC1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000590491003 359477425 /nfs/dbraw/zinc/47/74/25/359477425.db2.gz VKQZHNNYBPWOCE-ZDUSSCGKSA-N 1 2 263.341 0.612 20 30 CCEDLO C=CCCCC[N@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000590714127 359510574 /nfs/dbraw/zinc/51/05/74/359510574.db2.gz WSESQEWYRUYCFK-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000590714127 359510577 /nfs/dbraw/zinc/51/05/77/359510577.db2.gz WSESQEWYRUYCFK-CYBMUJFWSA-N 1 2 298.383 0.723 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000591725376 359647250 /nfs/dbraw/zinc/64/72/50/359647250.db2.gz VLXBXQLEFBGNPZ-GFCCVEGCSA-N 1 2 292.364 0.867 20 30 CCEDLO Cc1cc(N2CCC[C@@H](NS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000591817809 359661732 /nfs/dbraw/zinc/66/17/32/359661732.db2.gz JHBQBWZZYWOPPM-GFCCVEGCSA-N 1 2 294.380 0.780 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000591914959 359692810 /nfs/dbraw/zinc/69/28/10/359692810.db2.gz MQJREMJFQODNDZ-YPMHNXCESA-N 1 2 277.328 0.332 20 30 CCEDLO N#Cc1cncnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000591924447 359702533 /nfs/dbraw/zinc/70/25/33/359702533.db2.gz KENLSPOSUGBTRL-LBPRGKRZSA-N 1 2 259.313 0.259 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000591976420 359717280 /nfs/dbraw/zinc/71/72/80/359717280.db2.gz OFKQCYPYKWAHFE-AWEZNQCLSA-N 1 2 273.340 0.932 20 30 CCEDLO N#CC[C@]1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000591976420 359717286 /nfs/dbraw/zinc/71/72/86/359717286.db2.gz OFKQCYPYKWAHFE-AWEZNQCLSA-N 1 2 273.340 0.932 20 30 CCEDLO C[C@H](O)CNc1cc(N2CC[C@@](O)(CC#N)C2)nc[nH+]1 ZINC000591976941 359717600 /nfs/dbraw/zinc/71/76/00/359717600.db2.gz YJQQZAJLHKIZDE-GWCFXTLKSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@H](O)CNc1cc(N2CC[C@@](O)(CC#N)C2)[nH+]cn1 ZINC000591976941 359717605 /nfs/dbraw/zinc/71/76/05/359717605.db2.gz YJQQZAJLHKIZDE-GWCFXTLKSA-N 1 2 277.328 0.124 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000329291131 202270305 /nfs/dbraw/zinc/27/03/05/202270305.db2.gz QUDIQGKAHDSEAB-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cnccc3C#N)C[C@@H]21 ZINC000329291131 202270307 /nfs/dbraw/zinc/27/03/07/202270307.db2.gz QUDIQGKAHDSEAB-STQMWFEESA-N 1 2 272.308 0.108 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591997981 359723280 /nfs/dbraw/zinc/72/32/80/359723280.db2.gz GCCVTHCOLSFNKA-CMPLNLGQSA-N 1 2 275.308 0.622 20 30 CCEDLO COC(=O)[C@@H]([N@@H+]1CC[C@@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155070 359771715 /nfs/dbraw/zinc/77/17/15/359771715.db2.gz XFVJTNDZXUZDJO-YPMHNXCESA-N 1 2 282.340 0.448 20 30 CCEDLO COC(=O)[C@@H]([N@H+]1CC[C@@](O)(CC#N)C1)C1(OC)CCC1 ZINC000592155070 359771719 /nfs/dbraw/zinc/77/17/19/359771719.db2.gz XFVJTNDZXUZDJO-YPMHNXCESA-N 1 2 282.340 0.448 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155260 359771924 /nfs/dbraw/zinc/77/19/24/359771924.db2.gz ZGTLGQUYVNPZKM-FZMZJTMJSA-N 1 2 276.340 0.288 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155260 359771926 /nfs/dbraw/zinc/77/19/26/359771926.db2.gz ZGTLGQUYVNPZKM-FZMZJTMJSA-N 1 2 276.340 0.288 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592147802 359765343 /nfs/dbraw/zinc/76/53/43/359765343.db2.gz OSYKTGGTLYJLFV-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592147802 359765346 /nfs/dbraw/zinc/76/53/46/359765346.db2.gz OSYKTGGTLYJLFV-ZDUSSCGKSA-N 1 2 264.281 0.917 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000592147957 359767006 /nfs/dbraw/zinc/76/70/06/359767006.db2.gz UTRZUFBJJBEWKW-AWEZNQCLSA-N 1 2 265.357 0.786 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000592147957 359767008 /nfs/dbraw/zinc/76/70/08/359767008.db2.gz UTRZUFBJJBEWKW-AWEZNQCLSA-N 1 2 265.357 0.786 20 30 CCEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000592390722 359831668 /nfs/dbraw/zinc/83/16/68/359831668.db2.gz NOTCNRAHNMKJCL-CYBMUJFWSA-N 1 2 297.355 0.880 20 30 CCEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1[nH]cc[nH+]1 ZINC000611191155 363677682 /nfs/dbraw/zinc/67/76/82/363677682.db2.gz SKPQDNCZZZPNMF-UHFFFAOYSA-N 1 2 274.328 0.497 20 30 CCEDLO CN(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1 ZINC000593154711 360048417 /nfs/dbraw/zinc/04/84/17/360048417.db2.gz UZRJCYBKIZKILY-AWEZNQCLSA-N 1 2 275.356 0.721 20 30 CCEDLO Cc1nnsc1C[NH+]1CCN(CCC#N)CC1 ZINC000593019808 360014828 /nfs/dbraw/zinc/01/48/28/360014828.db2.gz RFATXKUWOVYAHM-UHFFFAOYSA-N 1 2 251.359 0.878 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000593058274 360023012 /nfs/dbraw/zinc/02/30/12/360023012.db2.gz KTVGLPPXHXSALU-NEPJUHHUSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000593058274 360023017 /nfs/dbraw/zinc/02/30/17/360023017.db2.gz KTVGLPPXHXSALU-NEPJUHHUSA-N 1 2 283.372 0.888 20 30 CCEDLO N#CCN(CC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593443536 360088882 /nfs/dbraw/zinc/08/88/82/360088882.db2.gz FUEGLQKZBPBVCD-UHFFFAOYSA-N 1 2 257.297 0.638 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593855608 360177215 /nfs/dbraw/zinc/17/72/15/360177215.db2.gz LCARNOZZIZXPAY-CYBMUJFWSA-N 1 2 287.319 0.155 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593855608 360177219 /nfs/dbraw/zinc/17/72/19/360177219.db2.gz LCARNOZZIZXPAY-CYBMUJFWSA-N 1 2 287.319 0.155 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(F)c(C#N)c1 ZINC000176880368 189012991 /nfs/dbraw/zinc/01/29/91/189012991.db2.gz UASXVRFDYFBJCK-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(F)c(C#N)c1 ZINC000176880368 189012992 /nfs/dbraw/zinc/01/29/92/189012992.db2.gz UASXVRFDYFBJCK-UHFFFAOYSA-N 1 2 291.326 0.988 20 30 CCEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cn1 ZINC000593960102 360222629 /nfs/dbraw/zinc/22/26/29/360222629.db2.gz MLRNHKQSAABAGQ-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cn1 ZINC000593960102 360222633 /nfs/dbraw/zinc/22/26/33/360222633.db2.gz MLRNHKQSAABAGQ-UHFFFAOYSA-N 1 2 294.380 0.421 20 30 CCEDLO C=C[C@@H](NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556293 360331003 /nfs/dbraw/zinc/33/10/03/360331003.db2.gz MQNBDDMJRSFVSL-FVCCEPFGSA-N 1 2 270.373 0.801 20 30 CCEDLO C=C[C@@H](NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556293 360331009 /nfs/dbraw/zinc/33/10/09/360331009.db2.gz MQNBDDMJRSFVSL-FVCCEPFGSA-N 1 2 270.373 0.801 20 30 CCEDLO N#Cc1ccccc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000594653104 360352038 /nfs/dbraw/zinc/35/20/38/360352038.db2.gz YIKVRLDXLFZQSD-LBPRGKRZSA-N 1 2 255.281 0.800 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C(=O)OC)co2)nn1 ZINC000594657276 360354749 /nfs/dbraw/zinc/35/47/49/360354749.db2.gz TVOIIEIAPCRFKX-UHFFFAOYSA-N 1 2 289.295 0.214 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576509 363742642 /nfs/dbraw/zinc/74/26/42/363742642.db2.gz BHILHJLCZWPFLI-VIFPVBQESA-N 1 2 291.298 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576509 363742645 /nfs/dbraw/zinc/74/26/45/363742645.db2.gz BHILHJLCZWPFLI-VIFPVBQESA-N 1 2 291.298 0.702 20 30 CCEDLO COC(=O)CN(CC#N)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000595343116 360501450 /nfs/dbraw/zinc/50/14/50/360501450.db2.gz XJANCVWZXFDFBC-VXGBXAGGSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1csnn1 ZINC000595397473 360519016 /nfs/dbraw/zinc/51/90/16/360519016.db2.gz JDJILUCGKIUHNM-UHFFFAOYSA-N 1 2 277.357 0.610 20 30 CCEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csnn1 ZINC000595397473 360519022 /nfs/dbraw/zinc/51/90/22/360519022.db2.gz JDJILUCGKIUHNM-UHFFFAOYSA-N 1 2 277.357 0.610 20 30 CCEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NCC#N ZINC000595814967 360665352 /nfs/dbraw/zinc/66/53/52/360665352.db2.gz KATMXXXXCUXWNF-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)NCC#N ZINC000595814967 360665356 /nfs/dbraw/zinc/66/53/56/360665356.db2.gz KATMXXXXCUXWNF-LLVKDONJSA-N 1 2 251.330 0.660 20 30 CCEDLO CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)C#N ZINC000595815182 360665405 /nfs/dbraw/zinc/66/54/05/360665405.db2.gz MGUXRKXJJVZLGD-ZDUSSCGKSA-N 1 2 296.415 0.447 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819710 360666256 /nfs/dbraw/zinc/66/62/56/360666256.db2.gz NDBFGZJVUVKZQS-VWYCJHECSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819710 360666259 /nfs/dbraw/zinc/66/62/59/360666259.db2.gz NDBFGZJVUVKZQS-VWYCJHECSA-N 1 2 255.314 0.845 20 30 CCEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000595823976 360668287 /nfs/dbraw/zinc/66/82/87/360668287.db2.gz WUAISKGPDPIOBC-NSHDSACASA-N 1 2 250.346 0.978 20 30 CCEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000595823976 360668292 /nfs/dbraw/zinc/66/82/92/360668292.db2.gz WUAISKGPDPIOBC-NSHDSACASA-N 1 2 250.346 0.978 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cn2C)[C@@H](C)CO1 ZINC000596452762 360898969 /nfs/dbraw/zinc/89/89/69/360898969.db2.gz GAHWRQXZFWBMDT-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cn2C)[C@@H](C)CO1 ZINC000596452762 360898970 /nfs/dbraw/zinc/89/89/70/360898970.db2.gz GAHWRQXZFWBMDT-NWDGAFQWSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596553470 360919843 /nfs/dbraw/zinc/91/98/43/360919843.db2.gz YNBDZBWWCZQMHM-WOPDTQHZSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596553470 360919847 /nfs/dbraw/zinc/91/98/47/360919847.db2.gz YNBDZBWWCZQMHM-WOPDTQHZSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nccnc1C#N ZINC000596427358 360890657 /nfs/dbraw/zinc/89/06/57/360890657.db2.gz FWQIABHKYMABRW-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nccnc1C#N ZINC000596427358 360890664 /nfs/dbraw/zinc/89/06/64/360890664.db2.gz FWQIABHKYMABRW-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000597176930 361023979 /nfs/dbraw/zinc/02/39/79/361023979.db2.gz KJNZYQMNQWJPLF-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000597178629 361025544 /nfs/dbraw/zinc/02/55/44/361025544.db2.gz MLHAKKKMMZLCRO-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO N#CCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000597627766 361166777 /nfs/dbraw/zinc/16/67/77/361166777.db2.gz XRUGGLSMBKDZIL-ZDUSSCGKSA-N 1 2 264.373 0.576 20 30 CCEDLO N#CCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000597627766 361166780 /nfs/dbraw/zinc/16/67/80/361166780.db2.gz XRUGGLSMBKDZIL-ZDUSSCGKSA-N 1 2 264.373 0.576 20 30 CCEDLO C[C@H](CC#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000597646979 361172717 /nfs/dbraw/zinc/17/27/17/361172717.db2.gz IQOVKTGYUBVIGO-FRRDWIJNSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@H](CC#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000597646981 361172843 /nfs/dbraw/zinc/17/28/43/361172843.db2.gz IQOVKTGYUBVIGO-UPJWGTAASA-N 1 2 265.357 0.858 20 30 CCEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)CO ZINC000597736800 361217016 /nfs/dbraw/zinc/21/70/16/361217016.db2.gz GEIAZRHDZJCXQL-QMMMGPOBSA-N 1 2 294.261 0.624 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@H](C#N)CO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597744327 361227462 /nfs/dbraw/zinc/22/74/62/361227462.db2.gz RIGCYBDFHFVBSX-XQHKEYJVSA-N 1 2 283.372 0.121 20 30 CCEDLO CC(C)[C@@H](C(=O)N[C@H](C#N)CO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597744327 361227469 /nfs/dbraw/zinc/22/74/69/361227469.db2.gz RIGCYBDFHFVBSX-XQHKEYJVSA-N 1 2 283.372 0.121 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNc2ccnc(C#N)n2)CCO1 ZINC000563898646 291257989 /nfs/dbraw/zinc/25/79/89/291257989.db2.gz NLMQBGPGBDADOW-LLVKDONJSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNc2ccnc(C#N)n2)CCO1 ZINC000563898646 291257991 /nfs/dbraw/zinc/25/79/91/291257991.db2.gz NLMQBGPGBDADOW-LLVKDONJSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597902656 361280049 /nfs/dbraw/zinc/28/00/49/361280049.db2.gz BMGJSMVTRYOXOD-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597902656 361280053 /nfs/dbraw/zinc/28/00/53/361280053.db2.gz BMGJSMVTRYOXOD-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO COC(=O)[C@H](C1CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611668396 363756257 /nfs/dbraw/zinc/75/62/57/363756257.db2.gz IZYBHUBXFFLXJI-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342070 361392617 /nfs/dbraw/zinc/39/26/17/361392617.db2.gz DEZPERLCAVBYKO-GFCCVEGCSA-N 1 2 265.357 0.717 20 30 CCEDLO C[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1[nH+]ccn1C ZINC000598466310 361424389 /nfs/dbraw/zinc/42/43/89/361424389.db2.gz YGNUHGMMPHVQEK-SNVBAGLBSA-N 1 2 284.323 0.398 20 30 CCEDLO C=C(CC)C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598638407 361469619 /nfs/dbraw/zinc/46/96/19/361469619.db2.gz IFMRUBVJHZTKNE-QWRGUYRKSA-N 1 2 295.339 0.120 20 30 CCEDLO C=C(CC)C[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598638407 361469627 /nfs/dbraw/zinc/46/96/27/361469627.db2.gz IFMRUBVJHZTKNE-QWRGUYRKSA-N 1 2 295.339 0.120 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cc(C2CC2)cn1 ZINC000598836127 361523535 /nfs/dbraw/zinc/52/35/35/361523535.db2.gz ANBYEIKEDUVVQJ-CQSZACIVSA-N 1 2 275.356 0.721 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000598948013 361538156 /nfs/dbraw/zinc/53/81/56/361538156.db2.gz OEBWTWBEFBDLKH-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599068070 361564922 /nfs/dbraw/zinc/56/49/22/361564922.db2.gz BPACNBNFCYDNKH-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599068070 361564924 /nfs/dbraw/zinc/56/49/24/361564924.db2.gz BPACNBNFCYDNKH-RWMBFGLXSA-N 1 2 280.372 0.699 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598939942 361534873 /nfs/dbraw/zinc/53/48/73/361534873.db2.gz OFNLMBDINUQOHB-JTQLQIEISA-N 1 2 255.281 0.746 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599161604 361592550 /nfs/dbraw/zinc/59/25/50/361592550.db2.gz UGICJADRICTOSB-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599161604 361592554 /nfs/dbraw/zinc/59/25/54/361592554.db2.gz UGICJADRICTOSB-SNVBAGLBSA-N 1 2 277.284 0.604 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000599280714 361629391 /nfs/dbraw/zinc/62/93/91/361629391.db2.gz KIKMTKQFMRMTET-GFCCVEGCSA-N 1 2 292.335 0.839 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599429783 361697656 /nfs/dbraw/zinc/69/76/56/361697656.db2.gz JUUCVRXRHGGJAO-VIFPVBQESA-N 1 2 277.328 0.168 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000612013539 363829231 /nfs/dbraw/zinc/82/92/31/363829231.db2.gz PEFQAWZIYMZZKK-CQSZACIVSA-N 1 2 276.336 0.583 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612154755 363857805 /nfs/dbraw/zinc/85/78/05/363857805.db2.gz DRQXXVSXPHVSBR-GWCFXTLKSA-N 1 2 266.345 0.846 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612154755 363857809 /nfs/dbraw/zinc/85/78/09/363857809.db2.gz DRQXXVSXPHVSBR-GWCFXTLKSA-N 1 2 266.345 0.846 20 30 CCEDLO C[C@]1(C#N)CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000612161496 363858831 /nfs/dbraw/zinc/85/88/31/363858831.db2.gz UCDSYUDHSSOJAX-GFCCVEGCSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@]1(C#N)CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000612161496 363858834 /nfs/dbraw/zinc/85/88/34/363858834.db2.gz UCDSYUDHSSOJAX-GFCCVEGCSA-N 1 2 250.302 0.164 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612165203 363859076 /nfs/dbraw/zinc/85/90/76/363859076.db2.gz LCEKHEFGDLNOQN-CQSZACIVSA-N 1 2 278.356 0.942 20 30 CCEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612165203 363859078 /nfs/dbraw/zinc/85/90/78/363859078.db2.gz LCEKHEFGDLNOQN-CQSZACIVSA-N 1 2 278.356 0.942 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccn1 ZINC000612454937 363928538 /nfs/dbraw/zinc/92/85/38/363928538.db2.gz VENKTXKLEUSUIC-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccn1 ZINC000612454937 363928541 /nfs/dbraw/zinc/92/85/41/363928541.db2.gz VENKTXKLEUSUIC-GFCCVEGCSA-N 1 2 280.353 0.206 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615521224 364992224 /nfs/dbraw/zinc/99/22/24/364992224.db2.gz RJBFWDXURBQIQM-PWSUYJOCSA-N 1 2 265.292 0.919 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000615551074 365003546 /nfs/dbraw/zinc/00/35/46/365003546.db2.gz GQIUNGKVCCITKD-ZWNOBZJWSA-N 1 2 277.303 0.845 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000616208280 365216828 /nfs/dbraw/zinc/21/68/28/365216828.db2.gz WPKICKJRKCZOQJ-CYBMUJFWSA-N 1 2 278.356 0.550 20 30 CCEDLO C=CC[C@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631981919 370809733 /nfs/dbraw/zinc/80/97/33/370809733.db2.gz JNUMTFZAIRATRM-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CC[C@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631981919 370809737 /nfs/dbraw/zinc/80/97/37/370809737.db2.gz JNUMTFZAIRATRM-QWRGUYRKSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000624735947 367976872 /nfs/dbraw/zinc/97/68/72/367976872.db2.gz RGGHUQVEDPHVCX-ZDUSSCGKSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000624735947 367976874 /nfs/dbraw/zinc/97/68/74/367976874.db2.gz RGGHUQVEDPHVCX-ZDUSSCGKSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094836 368439214 /nfs/dbraw/zinc/43/92/14/368439214.db2.gz KIWVXHRXTTYSFA-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000626094836 368439219 /nfs/dbraw/zinc/43/92/19/368439219.db2.gz KIWVXHRXTTYSFA-LLVKDONJSA-N 1 2 262.375 0.203 20 30 CCEDLO C=C(C)CN(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632186981 370912946 /nfs/dbraw/zinc/91/29/46/370912946.db2.gz RZFUGJPVSSNLGU-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO C=C(C)CN(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632186981 370912953 /nfs/dbraw/zinc/91/29/53/370912953.db2.gz RZFUGJPVSSNLGU-LLVKDONJSA-N 1 2 262.375 0.155 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000276062653 193202402 /nfs/dbraw/zinc/20/24/02/193202402.db2.gz ZUCONRCHNBICFO-AWEZNQCLSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000276062653 193202403 /nfs/dbraw/zinc/20/24/03/193202403.db2.gz ZUCONRCHNBICFO-AWEZNQCLSA-N 1 2 267.373 0.527 20 30 CCEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000631438345 370540576 /nfs/dbraw/zinc/54/05/76/370540576.db2.gz FBIZPNGZQLJQPB-UHFFFAOYSA-N 1 2 289.383 0.779 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccccc2)nn1 ZINC000656447899 412799974 /nfs/dbraw/zinc/79/99/74/412799974.db2.gz PAICTDPILXAMSZ-UHFFFAOYSA-N 1 2 297.362 0.707 20 30 CCEDLO CCCC[N@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000574519662 335026263 /nfs/dbraw/zinc/02/62/63/335026263.db2.gz ZNNFZKUUCFVMLR-UHFFFAOYSA-N 1 2 286.339 0.688 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000574519662 335026264 /nfs/dbraw/zinc/02/62/64/335026264.db2.gz ZNNFZKUUCFVMLR-UHFFFAOYSA-N 1 2 286.339 0.688 20 30 CCEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574529318 335027584 /nfs/dbraw/zinc/02/75/84/335027584.db2.gz CFKVPTAGQBRINR-GFCCVEGCSA-N 1 2 280.372 0.301 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639727613 375955129 /nfs/dbraw/zinc/95/51/29/375955129.db2.gz RDWOQRRKCOYCPS-UHFFFAOYSA-N 1 2 290.371 0.127 20 30 CCEDLO C=CC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160285 376259644 /nfs/dbraw/zinc/25/96/44/376259644.db2.gz UNTOOKNNFUCFTQ-UHFFFAOYSA-N 1 2 252.339 0.878 20 30 CCEDLO C=CC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160285 376259645 /nfs/dbraw/zinc/25/96/45/376259645.db2.gz UNTOOKNNFUCFTQ-UHFFFAOYSA-N 1 2 252.339 0.878 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(N)=O)c2)nn1 ZINC000640950597 376635279 /nfs/dbraw/zinc/63/52/79/376635279.db2.gz KBMIVWRXSWDXTF-UHFFFAOYSA-N 1 2 283.335 0.538 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)NC)cc2)nn1 ZINC000641043583 376707761 /nfs/dbraw/zinc/70/77/61/376707761.db2.gz UEGTVASAVBLCTJ-UHFFFAOYSA-N 1 2 297.362 0.799 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](COC)OC)nn1 ZINC000641102543 376783485 /nfs/dbraw/zinc/78/34/85/376783485.db2.gz CDQSHSVTKWJWPX-LBPRGKRZSA-N 1 2 252.318 0.052 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641474721 377156051 /nfs/dbraw/zinc/15/60/51/377156051.db2.gz VALQDHDMIVCSMX-STQMWFEESA-N 1 2 299.396 0.784 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CCO)C(C)(C)C2)C1=O ZINC000685004964 545785712 /nfs/dbraw/zinc/78/57/12/545785712.db2.gz ZQDZZDUBVBWDLF-CYBMUJFWSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CCO)C(C)(C)C2)C1=O ZINC000685004964 545785717 /nfs/dbraw/zinc/78/57/17/545785717.db2.gz ZQDZZDUBVBWDLF-CYBMUJFWSA-N 1 2 281.400 0.162 20 30 CCEDLO C=CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000106511135 261848388 /nfs/dbraw/zinc/84/83/88/261848388.db2.gz CIPKYLGOIHHERN-CYBMUJFWSA-N 1 2 266.389 0.594 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000280860486 195005925 /nfs/dbraw/zinc/00/59/25/195005925.db2.gz VUVIMXULRSVGKA-LBPRGKRZSA-N 1 2 288.351 0.746 20 30 CCEDLO C#CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266423049 533060175 /nfs/dbraw/zinc/06/01/75/533060175.db2.gz GPIYZENGOXURKF-UHFFFAOYSA-N 1 2 272.352 0.343 20 30 CCEDLO C[C@@H](C(=O)NCc1nnn(C)n1)[NH+]1CCSCC1 ZINC000330204103 533099250 /nfs/dbraw/zinc/09/92/50/533099250.db2.gz CMBLNZSJNTZFTB-QMMMGPOBSA-N 1 2 270.362 0.104 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cncnc2C1 ZINC000332677021 533172967 /nfs/dbraw/zinc/17/29/67/533172967.db2.gz GSJBEALLCGUGDM-NSHDSACASA-N 1 2 273.340 0.595 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cncnc2C1 ZINC000332677021 533172973 /nfs/dbraw/zinc/17/29/73/533172973.db2.gz GSJBEALLCGUGDM-NSHDSACASA-N 1 2 273.340 0.595 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329234272 227371055 /nfs/dbraw/zinc/37/10/55/227371055.db2.gz HQBDLLALMKQGDY-LLVKDONJSA-N 1 2 297.380 0.963 20 30 CCEDLO C[C@H](NS(=O)(=O)CCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000111340754 262259834 /nfs/dbraw/zinc/25/98/34/262259834.db2.gz PRKSKTRYJGJGJJ-RYUDHWBXSA-N 1 2 289.401 0.319 20 30 CCEDLO C#CC[N@@H+](CC(=O)NCCC(=O)OC)Cc1ccccc1 ZINC000285627024 388795406 /nfs/dbraw/zinc/79/54/06/388795406.db2.gz KQEJSEVAWSPOMX-UHFFFAOYSA-N 1 2 288.347 0.801 20 30 CCEDLO C#CC[N@H+](CC(=O)NCCC(=O)OC)Cc1ccccc1 ZINC000285627024 388795409 /nfs/dbraw/zinc/79/54/09/388795409.db2.gz KQEJSEVAWSPOMX-UHFFFAOYSA-N 1 2 288.347 0.801 20 30 CCEDLO CC#CC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000283335671 388764509 /nfs/dbraw/zinc/76/45/09/388764509.db2.gz OSKUSYZPEGJSFP-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)cnn2C)C1=O ZINC000289490254 388870339 /nfs/dbraw/zinc/87/03/39/388870339.db2.gz BLMBTNADINXKDJ-LBPRGKRZSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)cnn2C)C1=O ZINC000289490254 388870343 /nfs/dbraw/zinc/87/03/43/388870343.db2.gz BLMBTNADINXKDJ-LBPRGKRZSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000048430385 388892257 /nfs/dbraw/zinc/89/22/57/388892257.db2.gz CZUYNWSZFVVLSD-UHFFFAOYSA-N 1 2 274.368 0.501 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000048430385 388892260 /nfs/dbraw/zinc/89/22/60/388892260.db2.gz CZUYNWSZFVVLSD-UHFFFAOYSA-N 1 2 274.368 0.501 20 30 CCEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CCN1CCO ZINC000187738812 388894646 /nfs/dbraw/zinc/89/46/46/388894646.db2.gz PIXVNBJTCFCVBG-AWEZNQCLSA-N 1 2 289.379 0.935 20 30 CCEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCN1CCO ZINC000187738812 388894649 /nfs/dbraw/zinc/89/46/49/388894649.db2.gz PIXVNBJTCFCVBG-AWEZNQCLSA-N 1 2 289.379 0.935 20 30 CCEDLO CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](C)C#N ZINC000049000590 388913077 /nfs/dbraw/zinc/91/30/77/388913077.db2.gz IOPLCMYUQRYOMS-SNVBAGLBSA-N 1 2 266.345 0.798 20 30 CCEDLO CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](C)C#N ZINC000049000590 388913079 /nfs/dbraw/zinc/91/30/79/388913079.db2.gz IOPLCMYUQRYOMS-SNVBAGLBSA-N 1 2 266.345 0.798 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000293028613 388977657 /nfs/dbraw/zinc/97/76/57/388977657.db2.gz IVNXSQUFLHIKKT-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000293028613 388977661 /nfs/dbraw/zinc/97/76/61/388977661.db2.gz IVNXSQUFLHIKKT-UHFFFAOYSA-N 1 2 254.330 0.399 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000293346402 388981772 /nfs/dbraw/zinc/98/17/72/388981772.db2.gz YZDKAPZVVLPXCY-OAHLLOKOSA-N 1 2 287.363 0.545 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000293346402 388981775 /nfs/dbraw/zinc/98/17/75/388981775.db2.gz YZDKAPZVVLPXCY-OAHLLOKOSA-N 1 2 287.363 0.545 20 30 CCEDLO C#CCNC(=O)CC[N@@H+](C)Cc1nncn1C(C)C ZINC000293537674 388983328 /nfs/dbraw/zinc/98/33/28/388983328.db2.gz JXHVEBPDSLEKAT-UHFFFAOYSA-N 1 2 263.345 0.430 20 30 CCEDLO C#CCNC(=O)CC[N@H+](C)Cc1nncn1C(C)C ZINC000293537674 388983329 /nfs/dbraw/zinc/98/33/29/388983329.db2.gz JXHVEBPDSLEKAT-UHFFFAOYSA-N 1 2 263.345 0.430 20 30 CCEDLO C=C(Cl)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000076610245 388987620 /nfs/dbraw/zinc/98/76/20/388987620.db2.gz SUVXYRGZQZPGSI-UHFFFAOYSA-N 1 2 259.781 0.835 20 30 CCEDLO C=C(Cl)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000076610245 388987621 /nfs/dbraw/zinc/98/76/21/388987621.db2.gz SUVXYRGZQZPGSI-UHFFFAOYSA-N 1 2 259.781 0.835 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076610245 388987623 /nfs/dbraw/zinc/98/76/23/388987623.db2.gz SUVXYRGZQZPGSI-UHFFFAOYSA-N 1 2 259.781 0.835 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076610245 388987625 /nfs/dbraw/zinc/98/76/25/388987625.db2.gz SUVXYRGZQZPGSI-UHFFFAOYSA-N 1 2 259.781 0.835 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000294100471 388991139 /nfs/dbraw/zinc/99/11/39/388991139.db2.gz YFJUPRBAHLNOQN-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000294100471 388991140 /nfs/dbraw/zinc/99/11/40/388991140.db2.gz YFJUPRBAHLNOQN-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000192229451 389029787 /nfs/dbraw/zinc/02/97/87/389029787.db2.gz JJIRGJFNNGWDQE-JQWIXIFHSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000192229451 389029789 /nfs/dbraw/zinc/02/97/89/389029789.db2.gz JJIRGJFNNGWDQE-JQWIXIFHSA-N 1 2 254.330 0.255 20 30 CCEDLO C#CCNC(=O)c1ccc(NCC[NH+]2CCOCC2)nc1 ZINC000301243321 389049160 /nfs/dbraw/zinc/04/91/60/389049160.db2.gz PFDMIPBLKPRIHW-UHFFFAOYSA-N 1 2 288.351 0.189 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](COC)O[C@@H](C)C2)C1=O ZINC000337205495 389054519 /nfs/dbraw/zinc/05/45/19/389054519.db2.gz KSPHFMZGLBUINP-XQQFMLRXSA-N 1 2 268.357 0.509 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](COC)O[C@@H](C)C2)C1=O ZINC000337205495 389054522 /nfs/dbraw/zinc/05/45/22/389054522.db2.gz KSPHFMZGLBUINP-XQQFMLRXSA-N 1 2 268.357 0.509 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105612588 389086648 /nfs/dbraw/zinc/08/66/48/389086648.db2.gz PKDBMXCFNXQUPK-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105612588 389086650 /nfs/dbraw/zinc/08/66/50/389086650.db2.gz PKDBMXCFNXQUPK-QWHCGFSZSA-N 1 2 294.399 0.595 20 30 CCEDLO Cn1ncc(C(=O)NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000355540618 389091124 /nfs/dbraw/zinc/09/11/24/389091124.db2.gz GSMNOFDNFBAOQB-UHFFFAOYSA-N 1 2 284.323 0.755 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000337046150 389038916 /nfs/dbraw/zinc/03/89/16/389038916.db2.gz PCOCWICPBPYBFK-LLVKDONJSA-N 1 2 272.308 0.934 20 30 CCEDLO C[C@H]1CCN(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000337066345 389040797 /nfs/dbraw/zinc/04/07/97/389040797.db2.gz KVKKHPWKJOPXIB-AWEZNQCLSA-N 1 2 294.399 0.996 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000328937856 389146339 /nfs/dbraw/zinc/14/63/39/389146339.db2.gz DCOUAEWWJVKLPH-WDEREUQCSA-N 1 2 280.328 0.933 20 30 CCEDLO Cc1cnc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000328937856 389146340 /nfs/dbraw/zinc/14/63/40/389146340.db2.gz DCOUAEWWJVKLPH-WDEREUQCSA-N 1 2 280.328 0.933 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355635998 389106561 /nfs/dbraw/zinc/10/65/61/389106561.db2.gz FWFGBZBTLLOOQW-ZFWWWQNUSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355635998 389106564 /nfs/dbraw/zinc/10/65/64/389106564.db2.gz FWFGBZBTLLOOQW-ZFWWWQNUSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338374084 389110616 /nfs/dbraw/zinc/11/06/16/389110616.db2.gz ZRYQWYKVRKSUBC-BETUJISGSA-N 1 2 266.341 0.287 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338374084 389110619 /nfs/dbraw/zinc/11/06/19/389110619.db2.gz ZRYQWYKVRKSUBC-BETUJISGSA-N 1 2 266.341 0.287 20 30 CCEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121402601 389148228 /nfs/dbraw/zinc/14/82/28/389148228.db2.gz WKDMPGLLMOFUNX-JTQLQIEISA-N 1 2 265.313 0.993 20 30 CCEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338884667 389118135 /nfs/dbraw/zinc/11/81/35/389118135.db2.gz YNPFRMHMNJGJJZ-QWHCGFSZSA-N 1 2 292.383 0.347 20 30 CCEDLO CCC(CC)[C@H](C(=O)NCC#CCO)[NH+]1CCOCC1 ZINC000339187681 389127552 /nfs/dbraw/zinc/12/75/52/389127552.db2.gz YVLAWXPVMZVQJL-CQSZACIVSA-N 1 2 282.384 0.235 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C=O)c2)CC1 ZINC000113185516 389128496 /nfs/dbraw/zinc/12/84/96/389128496.db2.gz FVYJSCSLUVUIAU-UHFFFAOYSA-N 1 2 286.331 0.655 20 30 CCEDLO CN(C)C(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000357931071 389140294 /nfs/dbraw/zinc/14/02/94/389140294.db2.gz PHDCCKGCUMDLTF-UHFFFAOYSA-N 1 2 282.388 0.013 20 30 CCEDLO CN(C)C(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000357931071 389140296 /nfs/dbraw/zinc/14/02/96/389140296.db2.gz PHDCCKGCUMDLTF-UHFFFAOYSA-N 1 2 282.388 0.013 20 30 CCEDLO CN(C)C(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000357931071 389140298 /nfs/dbraw/zinc/14/02/98/389140298.db2.gz PHDCCKGCUMDLTF-UHFFFAOYSA-N 1 2 282.388 0.013 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCOCC(F)(F)C2)C1 ZINC000329680136 389186924 /nfs/dbraw/zinc/18/69/24/389186924.db2.gz WHQFJCMRSNSQJC-JTQLQIEISA-N 1 2 293.314 0.199 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCOCC(F)(F)C2)C1 ZINC000329680136 389186926 /nfs/dbraw/zinc/18/69/26/389186926.db2.gz WHQFJCMRSNSQJC-JTQLQIEISA-N 1 2 293.314 0.199 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000129560582 389189214 /nfs/dbraw/zinc/18/92/14/389189214.db2.gz WJWZQPILANXQLQ-NSHDSACASA-N 1 2 297.380 0.947 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000129560582 389189221 /nfs/dbraw/zinc/18/92/21/389189221.db2.gz WJWZQPILANXQLQ-NSHDSACASA-N 1 2 297.380 0.947 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000329749842 389196577 /nfs/dbraw/zinc/19/65/77/389196577.db2.gz HSWXZFNDLDDOFH-VNHYZAJKSA-N 1 2 297.399 0.778 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000329749842 389196580 /nfs/dbraw/zinc/19/65/80/389196580.db2.gz HSWXZFNDLDDOFH-VNHYZAJKSA-N 1 2 297.399 0.778 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000127117393 389172840 /nfs/dbraw/zinc/17/28/40/389172840.db2.gz QGPHOCUKKNGCRJ-SNVBAGLBSA-N 1 2 259.300 0.007 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@H+]1CC ZINC000359417175 389172973 /nfs/dbraw/zinc/17/29/73/389172973.db2.gz OLTNMLXDLMGLNQ-GFCCVEGCSA-N 1 2 251.330 0.635 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000359417175 389172975 /nfs/dbraw/zinc/17/29/75/389172975.db2.gz OLTNMLXDLMGLNQ-GFCCVEGCSA-N 1 2 251.330 0.635 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329598372 389174399 /nfs/dbraw/zinc/17/43/99/389174399.db2.gz JJBYPZFTTGTEME-NWDGAFQWSA-N 1 2 280.328 0.412 20 30 CCEDLO Cc1ocnc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329598372 389174401 /nfs/dbraw/zinc/17/44/01/389174401.db2.gz JJBYPZFTTGTEME-NWDGAFQWSA-N 1 2 280.328 0.412 20 30 CCEDLO O=C(NCCNc1cccc[nH+]1)N1CCS(=O)(=O)CC1 ZINC000329621559 389177770 /nfs/dbraw/zinc/17/77/70/389177770.db2.gz NADGONRZUUZOIU-UHFFFAOYSA-N 1 2 298.368 0.138 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000330589184 389244016 /nfs/dbraw/zinc/24/40/16/389244016.db2.gz UMXJBIFRVOCZCJ-UPJWGTAASA-N 1 2 268.357 0.150 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000330589184 389244021 /nfs/dbraw/zinc/24/40/21/389244021.db2.gz UMXJBIFRVOCZCJ-UPJWGTAASA-N 1 2 268.357 0.150 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000343636819 389268590 /nfs/dbraw/zinc/26/85/90/389268590.db2.gz JIIMBBKPDZYPSD-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000330596958 389245068 /nfs/dbraw/zinc/24/50/68/389245068.db2.gz DGZKSMYBLNUTFD-LLVKDONJSA-N 1 2 294.355 0.610 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000330596958 389245069 /nfs/dbraw/zinc/24/50/69/389245069.db2.gz DGZKSMYBLNUTFD-LLVKDONJSA-N 1 2 294.355 0.610 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248425197 389245603 /nfs/dbraw/zinc/24/56/03/389245603.db2.gz NWTMZZBALYWKEB-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248425197 389245605 /nfs/dbraw/zinc/24/56/05/389245605.db2.gz NWTMZZBALYWKEB-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000330606882 389246012 /nfs/dbraw/zinc/24/60/12/389246012.db2.gz OFSXKBDGWMSCED-NSHDSACASA-N 1 2 294.355 0.610 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000330606882 389246015 /nfs/dbraw/zinc/24/60/15/389246015.db2.gz OFSXKBDGWMSCED-NSHDSACASA-N 1 2 294.355 0.610 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000248622360 389247898 /nfs/dbraw/zinc/24/78/98/389247898.db2.gz MEBBBCPPJXLITN-MGPQQGTHSA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000248622360 389247903 /nfs/dbraw/zinc/24/79/03/389247903.db2.gz MEBBBCPPJXLITN-MGPQQGTHSA-N 1 2 297.399 0.466 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330643160 389249020 /nfs/dbraw/zinc/24/90/20/389249020.db2.gz RQHLYFRDHXYGCO-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330643160 389249023 /nfs/dbraw/zinc/24/90/23/389249023.db2.gz RQHLYFRDHXYGCO-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000248868831 389250464 /nfs/dbraw/zinc/25/04/64/389250464.db2.gz BIDKMGNLPOHAIE-RISCZKNCSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000248868831 389250467 /nfs/dbraw/zinc/25/04/67/389250467.db2.gz BIDKMGNLPOHAIE-RISCZKNCSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCOC[C@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342848809 389254488 /nfs/dbraw/zinc/25/44/88/389254488.db2.gz FQEWYQRWVKIXEN-NSHDSACASA-N 1 2 267.329 0.562 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135516503 389258153 /nfs/dbraw/zinc/25/81/53/389258153.db2.gz FTTHRFHLPCSGMR-UHFFFAOYSA-N 1 2 290.367 0.897 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135516503 389258156 /nfs/dbraw/zinc/25/81/56/389258156.db2.gz FTTHRFHLPCSGMR-UHFFFAOYSA-N 1 2 290.367 0.897 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000343636806 389268421 /nfs/dbraw/zinc/26/84/21/389268421.db2.gz JIIMBBKPDZYPSD-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)CCO ZINC000136063030 389264175 /nfs/dbraw/zinc/26/41/75/389264175.db2.gz YXAQGYJCNCNPJR-UHFFFAOYSA-N 1 2 265.313 0.282 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329898626 389209701 /nfs/dbraw/zinc/20/97/01/389209701.db2.gz MJAWOMHMYXUFAF-ZWNOBZJWSA-N 1 2 254.330 0.985 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329898626 389209704 /nfs/dbraw/zinc/20/97/04/389209704.db2.gz MJAWOMHMYXUFAF-ZWNOBZJWSA-N 1 2 254.330 0.985 20 30 CCEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@@H]1C=C[C@H](CO)C1 ZINC000329913364 389210528 /nfs/dbraw/zinc/21/05/28/389210528.db2.gz ORZXDPYVHSBTJG-YNEHKIRRSA-N 1 2 290.367 0.886 20 30 CCEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1C=C[C@H](CO)C1 ZINC000329913364 389210533 /nfs/dbraw/zinc/21/05/33/389210533.db2.gz ORZXDPYVHSBTJG-YNEHKIRRSA-N 1 2 290.367 0.886 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C(N)=O ZINC000330393449 389224532 /nfs/dbraw/zinc/22/45/32/389224532.db2.gz CASHSFNIDTUDDT-SNVBAGLBSA-N 1 2 286.376 0.772 20 30 CCEDLO CC(=O)NCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330399762 389225090 /nfs/dbraw/zinc/22/50/90/389225090.db2.gz NCUZAOBNRJEJLZ-LBPRGKRZSA-N 1 2 293.371 0.709 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@H+](CCCC#N)[C@H]1C(=O)OC ZINC000361865397 389225585 /nfs/dbraw/zinc/22/55/85/389225585.db2.gz MSXGFCFZJGIJFV-GHMZBOCLSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@@H]1CCC[N@@H+](CCCC#N)[C@H]1C(=O)OC ZINC000361865397 389225586 /nfs/dbraw/zinc/22/55/86/389225586.db2.gz MSXGFCFZJGIJFV-GHMZBOCLSA-N 1 2 268.313 0.717 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000330414529 389226385 /nfs/dbraw/zinc/22/63/85/389226385.db2.gz TZUPZSZDRMAHEH-DCAQKATOSA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000330414529 389226387 /nfs/dbraw/zinc/22/63/87/389226387.db2.gz TZUPZSZDRMAHEH-DCAQKATOSA-N 1 2 287.360 0.161 20 30 CCEDLO CC[C@@H](C(=O)N[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330435043 389228653 /nfs/dbraw/zinc/22/86/53/389228653.db2.gz ABVMKZJBIVULCE-TUAOUCFPSA-N 1 2 253.346 0.904 20 30 CCEDLO CC[C@@H](C(=O)N[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330435043 389228654 /nfs/dbraw/zinc/22/86/54/389228654.db2.gz ABVMKZJBIVULCE-TUAOUCFPSA-N 1 2 253.346 0.904 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000364450149 389266399 /nfs/dbraw/zinc/26/63/99/389266399.db2.gz UPOGLGRNPSVPLX-ZIAGYGMSSA-N 1 2 287.319 0.728 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000364450149 389266402 /nfs/dbraw/zinc/26/64/02/389266402.db2.gz UPOGLGRNPSVPLX-ZIAGYGMSSA-N 1 2 287.319 0.728 20 30 CCEDLO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CCN1S(C)(=O)=O ZINC000345801027 389315061 /nfs/dbraw/zinc/31/50/61/389315061.db2.gz DJFCNZDWTKMOOQ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1S(C)(=O)=O ZINC000345801027 389315063 /nfs/dbraw/zinc/31/50/63/389315063.db2.gz DJFCNZDWTKMOOQ-LLVKDONJSA-N 1 2 273.402 0.892 20 30 CCEDLO Cc1cc(N)nc(SCC(=O)NC2(C#N)CCC2)[nH+]1 ZINC000331926973 389316279 /nfs/dbraw/zinc/31/62/79/389316279.db2.gz VTOMHIYELCJVKM-UHFFFAOYSA-N 1 2 277.353 0.852 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000345848125 389316664 /nfs/dbraw/zinc/31/66/64/389316664.db2.gz IQAKAEXZBOMFNP-NSHDSACASA-N 1 2 294.399 0.784 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000345848125 389316667 /nfs/dbraw/zinc/31/66/67/389316667.db2.gz IQAKAEXZBOMFNP-NSHDSACASA-N 1 2 294.399 0.784 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCCC#N ZINC000345859064 389316697 /nfs/dbraw/zinc/31/66/97/389316697.db2.gz ZPNYMCGZSJOMKM-UHFFFAOYSA-N 1 2 254.334 0.264 20 30 CCEDLO C#CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)C1CCCC1 ZINC000155791008 389320985 /nfs/dbraw/zinc/32/09/85/389320985.db2.gz JFGDSYOBOGVMKV-UHFFFAOYSA-N 1 2 274.372 0.898 20 30 CCEDLO C#CC[N@H+](Cc1nc(N)nc(N(C)C)n1)C1CCCC1 ZINC000155791008 389320989 /nfs/dbraw/zinc/32/09/89/389320989.db2.gz JFGDSYOBOGVMKV-UHFFFAOYSA-N 1 2 274.372 0.898 20 30 CCEDLO C=C(C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000156679802 389327145 /nfs/dbraw/zinc/32/71/45/389327145.db2.gz XYBSBORXRGBCKR-VXGBXAGGSA-N 1 2 255.362 0.971 20 30 CCEDLO CCO[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346533517 389331539 /nfs/dbraw/zinc/33/15/39/389331539.db2.gz NPXLNGDKBGZFLB-CYBMUJFWSA-N 1 2 283.372 0.486 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCCC#N ZINC000344437594 389281427 /nfs/dbraw/zinc/28/14/27/389281427.db2.gz XXTZPCLOMPAWAR-UHFFFAOYSA-N 1 2 262.269 0.449 20 30 CCEDLO C=CC[N@@H+](CCC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000153450701 389300804 /nfs/dbraw/zinc/30/08/04/389300804.db2.gz MYGBCDNNJUBYSH-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CC[N@H+](CCC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000153450701 389300805 /nfs/dbraw/zinc/30/08/05/389300805.db2.gz MYGBCDNNJUBYSH-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)NCC#N)CCN1CC(F)F ZINC000153537551 389303518 /nfs/dbraw/zinc/30/35/18/389303518.db2.gz DTFQGHAWKAHERR-JTQLQIEISA-N 1 2 274.315 0.287 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)NCC#N)CCN1CC(F)F ZINC000153537551 389303522 /nfs/dbraw/zinc/30/35/22/389303522.db2.gz DTFQGHAWKAHERR-JTQLQIEISA-N 1 2 274.315 0.287 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369390600 389395667 /nfs/dbraw/zinc/39/56/67/389395667.db2.gz BXJCFZXMFPBRFM-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369390600 389395672 /nfs/dbraw/zinc/39/56/72/389395672.db2.gz BXJCFZXMFPBRFM-ZFWWWQNUSA-N 1 2 295.383 0.628 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000408402519 389346180 /nfs/dbraw/zinc/34/61/80/389346180.db2.gz NZRNZUZXYGURSX-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000408402519 389346185 /nfs/dbraw/zinc/34/61/85/389346185.db2.gz NZRNZUZXYGURSX-LBPRGKRZSA-N 1 2 283.397 0.790 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265628684 389359972 /nfs/dbraw/zinc/35/99/72/389359972.db2.gz DTJWYWFJEORHAR-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265628684 389359979 /nfs/dbraw/zinc/35/99/79/389359979.db2.gz DTJWYWFJEORHAR-GFCCVEGCSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272636135 389469869 /nfs/dbraw/zinc/46/98/69/389469869.db2.gz WUOZFKMAYQAAMP-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272636135 389469870 /nfs/dbraw/zinc/46/98/70/389469870.db2.gz WUOZFKMAYQAAMP-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413237708 389484385 /nfs/dbraw/zinc/48/43/85/389484385.db2.gz XUPVGVKAFQINHR-MNOVXSKESA-N 1 2 266.345 0.288 20 30 CCEDLO C=CC[C@H](CO)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413237708 389484387 /nfs/dbraw/zinc/48/43/87/389484387.db2.gz XUPVGVKAFQINHR-MNOVXSKESA-N 1 2 266.345 0.288 20 30 CCEDLO C#CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000163040897 389425061 /nfs/dbraw/zinc/42/50/61/389425061.db2.gz OSKQLJVFNZBGIV-UHFFFAOYSA-N 1 2 251.253 0.651 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000349729696 389427160 /nfs/dbraw/zinc/42/71/60/389427160.db2.gz MMXRVHNMDCQHTA-UHFFFAOYSA-N 1 2 291.399 0.148 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000349779621 389433603 /nfs/dbraw/zinc/43/36/03/389433603.db2.gz WAJKFLVZKVSLOB-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1ccon1 ZINC000271330381 389442518 /nfs/dbraw/zinc/44/25/18/389442518.db2.gz CFPSUIPCSKQRLV-UHFFFAOYSA-N 1 2 250.302 0.869 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1ccon1 ZINC000271330381 389442521 /nfs/dbraw/zinc/44/25/21/389442521.db2.gz CFPSUIPCSKQRLV-UHFFFAOYSA-N 1 2 250.302 0.869 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373775114 389514017 /nfs/dbraw/zinc/51/40/17/389514017.db2.gz LPFNGRPYNBCXDX-GFCCVEGCSA-N 1 2 274.368 0.789 20 30 CCEDLO CNC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276729447 389534812 /nfs/dbraw/zinc/53/48/12/389534812.db2.gz GYJULJAIBALBSL-UHFFFAOYSA-N 1 2 261.329 0.354 20 30 CCEDLO C=CCC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCC1 ZINC000276847265 389545891 /nfs/dbraw/zinc/54/58/91/389545891.db2.gz XHKLTEKOMMVKPN-UHFFFAOYSA-N 1 2 279.384 0.671 20 30 CCEDLO C=CCC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCC1 ZINC000276847265 389545896 /nfs/dbraw/zinc/54/58/96/389545896.db2.gz XHKLTEKOMMVKPN-UHFFFAOYSA-N 1 2 279.384 0.671 20 30 CCEDLO C#CCN(CC#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000374102867 389546333 /nfs/dbraw/zinc/54/63/33/389546333.db2.gz WCCPCBVTJSHYCL-UHFFFAOYSA-N 1 2 261.325 0.227 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277866780 389557712 /nfs/dbraw/zinc/55/77/12/389557712.db2.gz RSVMPPIFALPLIE-UHFFFAOYSA-N 1 2 277.328 0.027 20 30 CCEDLO C=CCNC(=O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277866780 389557715 /nfs/dbraw/zinc/55/77/15/389557715.db2.gz RSVMPPIFALPLIE-UHFFFAOYSA-N 1 2 277.328 0.027 20 30 CCEDLO CC#CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000278555397 389560577 /nfs/dbraw/zinc/56/05/77/389560577.db2.gz HHZWKNYXCLZVQA-UHFFFAOYSA-N 1 2 284.323 0.035 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@H](C)C#N ZINC000351473678 389585450 /nfs/dbraw/zinc/58/54/50/389585450.db2.gz DQSRZEAUGNSTSP-DGCLKSJQSA-N 1 2 283.372 0.782 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@H](C)C#N ZINC000351473678 389585454 /nfs/dbraw/zinc/58/54/54/389585454.db2.gz DQSRZEAUGNSTSP-DGCLKSJQSA-N 1 2 283.372 0.782 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051848 389598277 /nfs/dbraw/zinc/59/82/77/389598277.db2.gz NXAHJVKYAHBOJM-LLVKDONJSA-N 1 2 253.346 0.715 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000351944526 389721506 /nfs/dbraw/zinc/72/15/06/389721506.db2.gz LRZIIBBCQNFJFE-SCZZXKLOSA-N 1 2 265.338 0.871 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000351944526 389721508 /nfs/dbraw/zinc/72/15/08/389721508.db2.gz LRZIIBBCQNFJFE-SCZZXKLOSA-N 1 2 265.338 0.871 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000351754077 389673183 /nfs/dbraw/zinc/67/31/83/389673183.db2.gz YHESGPOGDGYZCN-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000351754077 389673186 /nfs/dbraw/zinc/67/31/86/389673186.db2.gz YHESGPOGDGYZCN-LBPRGKRZSA-N 1 2 284.356 0.333 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COC1CCOCC1 ZINC000428846555 389723333 /nfs/dbraw/zinc/72/33/33/389723333.db2.gz RAPYYCRFZHEKJU-ZDUSSCGKSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)COC1CCOCC1 ZINC000428846555 389723335 /nfs/dbraw/zinc/72/33/35/389723335.db2.gz RAPYYCRFZHEKJU-ZDUSSCGKSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181308091 389684732 /nfs/dbraw/zinc/68/47/32/389684732.db2.gz WVVKAUBXPDRUGR-YUMQZZPRSA-N 1 2 297.277 0.242 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181308091 389684736 /nfs/dbraw/zinc/68/47/36/389684736.db2.gz WVVKAUBXPDRUGR-YUMQZZPRSA-N 1 2 297.277 0.242 20 30 CCEDLO CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000181649394 389690778 /nfs/dbraw/zinc/69/07/78/389690778.db2.gz ROGIQJOTBRXMIM-NSHDSACASA-N 1 2 283.372 0.926 20 30 CCEDLO CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000181649394 389690781 /nfs/dbraw/zinc/69/07/81/389690781.db2.gz ROGIQJOTBRXMIM-NSHDSACASA-N 1 2 283.372 0.926 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416666852 389765002 /nfs/dbraw/zinc/76/50/02/389765002.db2.gz PJPXWGCLCOSSRM-CHWSQXEVSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416666852 389765003 /nfs/dbraw/zinc/76/50/03/389765003.db2.gz PJPXWGCLCOSSRM-CHWSQXEVSA-N 1 2 290.429 0.669 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352372632 389799688 /nfs/dbraw/zinc/79/96/88/389799688.db2.gz UVTXMUAOXYTVAK-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352372632 389799692 /nfs/dbraw/zinc/79/96/92/389799692.db2.gz UVTXMUAOXYTVAK-TZMCWYRMSA-N 1 2 268.357 0.559 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376102426 389729312 /nfs/dbraw/zinc/72/93/12/389729312.db2.gz IASVNWHOOJCXGV-JSGCOSHPSA-N 1 2 265.357 0.859 20 30 CCEDLO C#CCOCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376221028 389731408 /nfs/dbraw/zinc/73/14/08/389731408.db2.gz LGMBVPRVPZIIQA-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000429135368 389739830 /nfs/dbraw/zinc/73/98/30/389739830.db2.gz STGDXKVNUOHAQE-UHFFFAOYSA-N 1 2 292.339 0.904 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000429135368 389739832 /nfs/dbraw/zinc/73/98/32/389739832.db2.gz STGDXKVNUOHAQE-UHFFFAOYSA-N 1 2 292.339 0.904 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000407976764 389817966 /nfs/dbraw/zinc/81/79/66/389817966.db2.gz PHKNMYDWVJEGBV-LLVKDONJSA-N 1 2 286.401 0.245 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC(C)(C)CCC#N)C1 ZINC000353088476 389844967 /nfs/dbraw/zinc/84/49/67/389844967.db2.gz OFWSDNMVXMWACT-CYBMUJFWSA-N 1 2 295.431 0.861 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC(C)(C)CCC#N)C1 ZINC000353088476 389844970 /nfs/dbraw/zinc/84/49/70/389844970.db2.gz OFWSDNMVXMWACT-CYBMUJFWSA-N 1 2 295.431 0.861 20 30 CCEDLO CC1(C)CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@@H]1C#N ZINC000444724764 389915869 /nfs/dbraw/zinc/91/58/69/389915869.db2.gz LEWVEJILUJHJHT-ZIAGYGMSSA-N 1 2 281.400 0.694 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793930 389918790 /nfs/dbraw/zinc/91/87/90/389918790.db2.gz QLBZIKDWHMADSO-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793930 389918792 /nfs/dbraw/zinc/91/87/92/389918792.db2.gz QLBZIKDWHMADSO-LLVKDONJSA-N 1 2 274.386 0.188 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440278853 390034589 /nfs/dbraw/zinc/03/45/89/390034589.db2.gz BVNXEXIJPSRMOL-NSHDSACASA-N 1 2 286.335 0.659 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440278853 390034590 /nfs/dbraw/zinc/03/45/90/390034590.db2.gz BVNXEXIJPSRMOL-NSHDSACASA-N 1 2 286.335 0.659 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478940213 390081101 /nfs/dbraw/zinc/08/11/01/390081101.db2.gz YKLKLGJKIIOVBK-OLZOCXBDSA-N 1 2 281.356 0.096 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1C#N ZINC000488134877 390091792 /nfs/dbraw/zinc/09/17/92/390091792.db2.gz OIKPPILJCCKRQO-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO Cc1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1C#N ZINC000488134877 390091793 /nfs/dbraw/zinc/09/17/93/390091793.db2.gz OIKPPILJCCKRQO-ZDUSSCGKSA-N 1 2 284.319 0.603 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000491200952 390110361 /nfs/dbraw/zinc/11/03/61/390110361.db2.gz DKQVJZDZHFMVLA-UHFFFAOYSA-N 1 2 298.346 0.139 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494086885 390147903 /nfs/dbraw/zinc/14/79/03/390147903.db2.gz RBRMAKNMMLRAFB-GFCCVEGCSA-N 1 2 294.355 0.275 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494086885 390147906 /nfs/dbraw/zinc/14/79/06/390147906.db2.gz RBRMAKNMMLRAFB-GFCCVEGCSA-N 1 2 294.355 0.275 20 30 CCEDLO C=C(C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494212749 390158726 /nfs/dbraw/zinc/15/87/26/390158726.db2.gz OYRVYUASZPWIRF-LBPRGKRZSA-N 1 2 253.346 0.725 20 30 CCEDLO C=C(C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494212749 390158730 /nfs/dbraw/zinc/15/87/30/390158730.db2.gz OYRVYUASZPWIRF-LBPRGKRZSA-N 1 2 253.346 0.725 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000644194046 390159989 /nfs/dbraw/zinc/15/99/89/390159989.db2.gz FWNKMQAZQQGFHL-CYBMUJFWSA-N 1 2 288.413 0.689 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000537121775 390174319 /nfs/dbraw/zinc/17/43/19/390174319.db2.gz MFJRWAFXLUBVMF-NSHDSACASA-N 1 2 287.323 0.577 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000540718686 390223234 /nfs/dbraw/zinc/22/32/34/390223234.db2.gz VPPUNZTUPIQIJG-UHFFFAOYSA-N 1 2 279.344 0.265 20 30 CCEDLO C[C@@H](C(=O)N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC000583574190 390294322 /nfs/dbraw/zinc/29/43/22/390294322.db2.gz QXONOHNAKLAQEH-LBPRGKRZSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCn1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000648374985 390364038 /nfs/dbraw/zinc/36/40/38/390364038.db2.gz NRKNROGHROOOHQ-GFCCVEGCSA-N 1 2 293.371 0.257 20 30 CCEDLO C=CCn1cc(C(=O)N2CCn3c[nH+]cc3C2)nn1 ZINC000648908123 390441810 /nfs/dbraw/zinc/44/18/10/390441810.db2.gz NSJKFOZVCJZHGQ-UHFFFAOYSA-N 1 2 258.285 0.317 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC000648899936 390439014 /nfs/dbraw/zinc/43/90/14/390439014.db2.gz CHZUYYDFTZJUHU-JTQLQIEISA-N 1 2 272.312 0.405 20 30 CCEDLO COc1ccc(C#N)cc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565369989 390508392 /nfs/dbraw/zinc/50/83/92/390508392.db2.gz AZCMTQYFVAIIPL-CQSZACIVSA-N 1 2 275.308 0.301 20 30 CCEDLO C=CCCC[N@@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036389 390579122 /nfs/dbraw/zinc/57/91/22/390579122.db2.gz BOGVTZCZXGPZQD-GFCCVEGCSA-N 1 2 259.371 0.842 20 30 CCEDLO C=CCCC[N@H+]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646036389 390579125 /nfs/dbraw/zinc/57/91/25/390579125.db2.gz BOGVTZCZXGPZQD-GFCCVEGCSA-N 1 2 259.371 0.842 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649238533 390533156 /nfs/dbraw/zinc/53/31/56/390533156.db2.gz CQKPXAVVZOEGRL-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566493489 390623797 /nfs/dbraw/zinc/62/37/97/390623797.db2.gz TWZZFOJYMJYOST-JTQLQIEISA-N 1 2 285.373 0.568 20 30 CCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566493489 390623799 /nfs/dbraw/zinc/62/37/99/390623799.db2.gz TWZZFOJYMJYOST-JTQLQIEISA-N 1 2 285.373 0.568 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000525180621 390660411 /nfs/dbraw/zinc/66/04/11/390660411.db2.gz ZOCAZBBFBWOTNC-QWHCGFSZSA-N 1 2 298.408 0.425 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000525180621 390660414 /nfs/dbraw/zinc/66/04/14/390660414.db2.gz ZOCAZBBFBWOTNC-QWHCGFSZSA-N 1 2 298.408 0.425 20 30 CCEDLO COC(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1C ZINC000568869729 390715061 /nfs/dbraw/zinc/71/50/61/390715061.db2.gz FSNPTSMSTSCSFD-CQSZACIVSA-N 1 2 292.339 0.385 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1COC1 ZINC000570040125 390717120 /nfs/dbraw/zinc/71/71/20/390717120.db2.gz SDKPOHCHDBTZDA-ZDUSSCGKSA-N 1 2 251.330 0.516 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1COC1 ZINC000570040125 390717121 /nfs/dbraw/zinc/71/71/21/390717121.db2.gz SDKPOHCHDBTZDA-ZDUSSCGKSA-N 1 2 251.330 0.516 20 30 CCEDLO COC(=O)c1ccnc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567114597 390672890 /nfs/dbraw/zinc/67/28/90/390672890.db2.gz SDGDKIRDQRNHDM-CQSZACIVSA-N 1 2 290.323 0.442 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H](C)C1=O ZINC000528463575 390746772 /nfs/dbraw/zinc/74/67/72/390746772.db2.gz HXVOUPCTVADLPK-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H](C)C1=O ZINC000528463575 390746773 /nfs/dbraw/zinc/74/67/73/390746773.db2.gz HXVOUPCTVADLPK-RYUDHWBXSA-N 1 2 265.357 0.594 20 30 CCEDLO NC(=O)[C@@]1([NH2+]CC#Cc2cccc(Cl)c2)CCOC1 ZINC000575068760 390832398 /nfs/dbraw/zinc/83/23/98/390832398.db2.gz AFERAZSRTBTYGQ-CQSZACIVSA-N 1 2 278.739 0.926 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2c[nH]c(C)n2)c1C#N ZINC000534062456 390888293 /nfs/dbraw/zinc/88/82/93/390888293.db2.gz LNLIVHZWDIYTHT-UHFFFAOYSA-N 1 2 287.327 0.139 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]c[nH]1 ZINC000091936684 135074303 /nfs/dbraw/zinc/07/43/03/135074303.db2.gz RSQZPKADGDACEW-NSHDSACASA-N 1 2 283.339 0.782 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH]c[nH+]1 ZINC000091936684 135074306 /nfs/dbraw/zinc/07/43/06/135074306.db2.gz RSQZPKADGDACEW-NSHDSACASA-N 1 2 283.339 0.782 20 30 CCEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328973473 397449571 /nfs/dbraw/zinc/44/95/71/397449571.db2.gz PHNAYPIYPUXFCR-QWHCGFSZSA-N 1 2 290.367 0.947 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c[nH+]1 ZINC000330461815 397452250 /nfs/dbraw/zinc/45/22/50/397452250.db2.gz SOKQRHFNNLOIOH-MRVPVSSYSA-N 1 2 266.301 0.270 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000368828643 144245889 /nfs/dbraw/zinc/24/58/89/144245889.db2.gz GWPZZJPPSCBVTN-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000368828643 144245890 /nfs/dbraw/zinc/24/58/90/144245890.db2.gz GWPZZJPPSCBVTN-UHFFFAOYSA-N 1 2 286.379 0.812 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000649537604 397630466 /nfs/dbraw/zinc/63/04/66/397630466.db2.gz AMUANFDIENOUGG-JTQLQIEISA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000649537604 397630468 /nfs/dbraw/zinc/63/04/68/397630468.db2.gz AMUANFDIENOUGG-JTQLQIEISA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537604 397630470 /nfs/dbraw/zinc/63/04/70/397630470.db2.gz AMUANFDIENOUGG-JTQLQIEISA-N 1 2 251.286 0.604 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537604 397630472 /nfs/dbraw/zinc/63/04/72/397630472.db2.gz AMUANFDIENOUGG-JTQLQIEISA-N 1 2 251.286 0.604 20 30 CCEDLO C=C(C)[C@@H](CO)N1CC[NH+](CCOCCOC)CC1 ZINC000649896178 397681265 /nfs/dbraw/zinc/68/12/65/397681265.db2.gz GHKHOALGJXNWTG-CQSZACIVSA-N 1 2 272.389 0.204 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1C#N ZINC000548444167 286036591 /nfs/dbraw/zinc/03/65/91/286036591.db2.gz CZPOFDXGKFSKRG-NWDGAFQWSA-N 1 2 290.319 0.272 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1C#N ZINC000548444167 286036593 /nfs/dbraw/zinc/03/65/93/286036593.db2.gz CZPOFDXGKFSKRG-NWDGAFQWSA-N 1 2 290.319 0.272 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329755982 286046683 /nfs/dbraw/zinc/04/66/83/286046683.db2.gz YKMGVACERLWRKV-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO CO[C@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329755982 286046685 /nfs/dbraw/zinc/04/66/85/286046685.db2.gz YKMGVACERLWRKV-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC1 ZINC000285350317 196257903 /nfs/dbraw/zinc/25/79/03/196257903.db2.gz ATZITUXQRGHGEK-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC1 ZINC000285350317 196257905 /nfs/dbraw/zinc/25/79/05/196257905.db2.gz ATZITUXQRGHGEK-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO C=CC[N@@H+](C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000660071180 414087272 /nfs/dbraw/zinc/08/72/72/414087272.db2.gz XDHSVQKCNOVHEW-NEPJUHHUSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CC[N@H+](C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000660071180 414087280 /nfs/dbraw/zinc/08/72/80/414087280.db2.gz XDHSVQKCNOVHEW-NEPJUHHUSA-N 1 2 277.386 0.323 20 30 CCEDLO C=CC[N@H+](CC(=O)Nc1nncs1)[C@@H](C)COC ZINC000661242758 414583609 /nfs/dbraw/zinc/58/36/09/414583609.db2.gz SULKPXLDXFJHSZ-VIFPVBQESA-N 1 2 270.358 1.000 20 30 CCEDLO C=CC[N@@H+](CC(=O)Nc1nncs1)[C@@H](C)COC ZINC000661242758 414583612 /nfs/dbraw/zinc/58/36/12/414583612.db2.gz SULKPXLDXFJHSZ-VIFPVBQESA-N 1 2 270.358 1.000 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661571185 414645176 /nfs/dbraw/zinc/64/51/76/414645176.db2.gz CXMGPSUQVXERHZ-UHFFFAOYSA-N 1 2 294.399 0.512 20 30 CCEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661786182 414675028 /nfs/dbraw/zinc/67/50/28/414675028.db2.gz AWDHKSPXKFZZKY-AWEZNQCLSA-N 1 2 297.399 0.695 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662162892 414694912 /nfs/dbraw/zinc/69/49/12/414694912.db2.gz SREUBXFBYISRAP-LBPRGKRZSA-N 1 2 270.279 0.890 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000070754385 176004958 /nfs/dbraw/zinc/00/49/58/176004958.db2.gz JDOISKOTIIRTBR-JTQLQIEISA-N 1 2 255.362 0.524 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000070754385 176004959 /nfs/dbraw/zinc/00/49/59/176004959.db2.gz JDOISKOTIIRTBR-JTQLQIEISA-N 1 2 255.362 0.524 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)CC1 ZINC000078432806 177341157 /nfs/dbraw/zinc/34/11/57/177341157.db2.gz UJHJFZONNORMPG-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)CC1 ZINC000078432806 177341158 /nfs/dbraw/zinc/34/11/58/177341158.db2.gz UJHJFZONNORMPG-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO Cc1cc(=NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[nH]n1CCC#N ZINC000329038461 227268488 /nfs/dbraw/zinc/26/84/88/227268488.db2.gz ZNCJYNHBMZJWDN-GFCCVEGCSA-N 1 2 298.350 0.925 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCNC(=O)CC1 ZINC000329104579 227299908 /nfs/dbraw/zinc/29/99/08/227299908.db2.gz GQKFGACYLOPWGM-SNVBAGLBSA-N 1 2 265.317 0.848 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCNC(=O)CC1 ZINC000329104579 227299910 /nfs/dbraw/zinc/29/99/10/227299910.db2.gz GQKFGACYLOPWGM-SNVBAGLBSA-N 1 2 265.317 0.848 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330007500 228014997 /nfs/dbraw/zinc/01/49/97/228014997.db2.gz DPWRTEWORZKQLK-NDBYEHHHSA-N 1 2 283.372 0.198 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CC2(C1)CCOCC2 ZINC000330177656 228056380 /nfs/dbraw/zinc/05/63/80/228056380.db2.gz KXYGHVGUCNJBQP-UHFFFAOYSA-N 1 2 264.329 0.910 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CC2(C1)CCOCC2 ZINC000330177656 228056383 /nfs/dbraw/zinc/05/63/83/228056383.db2.gz KXYGHVGUCNJBQP-UHFFFAOYSA-N 1 2 264.329 0.910 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H](C)[N@H+]1C ZINC000331914141 228138518 /nfs/dbraw/zinc/13/85/18/228138518.db2.gz DMWRRBXADPXHBU-PHIMTYICSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H](C)[N@@H+]1C ZINC000331914141 228138520 /nfs/dbraw/zinc/13/85/20/228138520.db2.gz DMWRRBXADPXHBU-PHIMTYICSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@H](C(=O)NC[C@H]1CCCC1=O)N1CC[NH+](C)CC1 ZINC000330332073 228154394 /nfs/dbraw/zinc/15/43/94/228154394.db2.gz OOIOTQMIBDGWLG-VXGBXAGGSA-N 1 2 267.373 0.948 20 30 CCEDLO O=C(NCC#CCO)C1CC[NH+](CC(F)F)CC1 ZINC000352171709 228191594 /nfs/dbraw/zinc/19/15/94/228191594.db2.gz MRTIJNLWFRFRAV-UHFFFAOYSA-N 1 2 260.284 0.075 20 30 CCEDLO C=CCCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000130373060 544616412 /nfs/dbraw/zinc/61/64/12/544616412.db2.gz RKQSXQUEFNRDSF-UHFFFAOYSA-N 1 2 256.346 0.106 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000329617487 545024451 /nfs/dbraw/zinc/02/44/51/545024451.db2.gz FXIJHYLKPQEVQK-UHFFFAOYSA-N 1 2 293.371 0.463 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000329617487 545024452 /nfs/dbraw/zinc/02/44/52/545024452.db2.gz FXIJHYLKPQEVQK-UHFFFAOYSA-N 1 2 293.371 0.463 20 30 CCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000329617487 545024455 /nfs/dbraw/zinc/02/44/55/545024455.db2.gz FXIJHYLKPQEVQK-UHFFFAOYSA-N 1 2 293.371 0.463 20 30 CCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000329617487 545024456 /nfs/dbraw/zinc/02/44/56/545024456.db2.gz FXIJHYLKPQEVQK-UHFFFAOYSA-N 1 2 293.371 0.463 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCSc1nnc(CC#N)n1C ZINC000357063441 260124018 /nfs/dbraw/zinc/12/40/18/260124018.db2.gz ZTGSCDLVJLYRGB-JTQLQIEISA-N 1 2 281.385 0.694 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(C#N)CCCCC2)C1 ZINC000081310465 260182323 /nfs/dbraw/zinc/18/23/23/260182323.db2.gz FNNGWWQKZDDMDH-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)NC2(C#N)CCCCC2)C1 ZINC000081310465 260182324 /nfs/dbraw/zinc/18/23/24/260182324.db2.gz FNNGWWQKZDDMDH-NSHDSACASA-N 1 2 251.330 0.660 20 30 CCEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCC1 ZINC000077983817 260299022 /nfs/dbraw/zinc/29/90/22/260299022.db2.gz XLMWCLAIZJPYFT-UHFFFAOYSA-N 1 2 299.378 0.766 20 30 CCEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000408160699 260331940 /nfs/dbraw/zinc/33/19/40/260331940.db2.gz WZOPVGXICJDJPM-LBPRGKRZSA-N 1 2 265.357 0.907 20 30 CCEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000153770437 261082637 /nfs/dbraw/zinc/08/26/37/261082637.db2.gz BZVZDOGXVJUKBM-AWEZNQCLSA-N 1 2 273.336 0.778 20 30 CCEDLO C=CCOC[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OC ZINC000360725713 261096802 /nfs/dbraw/zinc/09/68/02/261096802.db2.gz MRJHEVQZVWUPPS-NSHDSACASA-N 1 2 281.312 0.134 20 30 CCEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CC#N ZINC000281144202 263066832 /nfs/dbraw/zinc/06/68/32/263066832.db2.gz HVSBNVYZHZIGGR-RYUDHWBXSA-N 1 2 293.346 0.705 20 30 CCEDLO CO/N=C/C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000283028680 263080411 /nfs/dbraw/zinc/08/04/11/263080411.db2.gz QWHYTRGYLWFOBU-LUYJPIOASA-N 1 2 291.351 0.808 20 30 CCEDLO Cc1ncsc1CO[NH+]=C(N)CN1CCOCC1 ZINC000289423200 263110114 /nfs/dbraw/zinc/11/01/14/263110114.db2.gz QTVHMRJHNPYORO-UHFFFAOYSA-N 1 2 270.358 0.573 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289772198 263112005 /nfs/dbraw/zinc/11/20/05/263112005.db2.gz ZWCLLZSNIGFOAB-SNVBAGLBSA-N 1 2 283.357 0.035 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C#N)CCCC1 ZINC000340590349 263214540 /nfs/dbraw/zinc/21/45/40/263214540.db2.gz UAGJBVCJFXSIKJ-NSHDSACASA-N 1 2 290.323 0.694 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C#N)CCCC1 ZINC000340590349 263214541 /nfs/dbraw/zinc/21/45/41/263214541.db2.gz UAGJBVCJFXSIKJ-NSHDSACASA-N 1 2 290.323 0.694 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000121557546 263294170 /nfs/dbraw/zinc/29/41/70/263294170.db2.gz SSJVICHNWRYVTP-UHFFFAOYSA-N 1 2 283.353 0.390 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000121557546 263294172 /nfs/dbraw/zinc/29/41/72/263294172.db2.gz SSJVICHNWRYVTP-UHFFFAOYSA-N 1 2 283.353 0.390 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000341849628 263359576 /nfs/dbraw/zinc/35/95/76/263359576.db2.gz RANYFKFJGOVDBQ-ZDUSSCGKSA-N 1 2 299.415 0.581 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000341849628 263359577 /nfs/dbraw/zinc/35/95/77/263359577.db2.gz RANYFKFJGOVDBQ-ZDUSSCGKSA-N 1 2 299.415 0.581 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C)(C#N)CC1 ZINC000330762050 264031804 /nfs/dbraw/zinc/03/18/04/264031804.db2.gz OCHGVYLDJBCAKM-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C)(C#N)CC1 ZINC000330762050 264031805 /nfs/dbraw/zinc/03/18/05/264031805.db2.gz OCHGVYLDJBCAKM-UHFFFAOYSA-N 1 2 294.399 0.595 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330738815 264038229 /nfs/dbraw/zinc/03/82/29/264038229.db2.gz NYOFQJLJNPOSCJ-NWDGAFQWSA-N 1 2 283.372 0.948 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330738815 264038230 /nfs/dbraw/zinc/03/82/30/264038230.db2.gz NYOFQJLJNPOSCJ-NWDGAFQWSA-N 1 2 283.372 0.948 20 30 CCEDLO CC(C)N1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1=O ZINC000330799814 264041553 /nfs/dbraw/zinc/04/15/53/264041553.db2.gz YVGFCDGCKNUSHX-SNVBAGLBSA-N 1 2 279.344 0.433 20 30 CCEDLO C[C@H](CNC(=O)NC[C@@H](O)C(C)(C)C)[NH+]1CCOCC1 ZINC000330816959 264046374 /nfs/dbraw/zinc/04/63/74/264046374.db2.gz NXVHUCYYEDEROH-VXGBXAGGSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)(CNC(=O)NCCCC#N)[NH+]1CCOCC1 ZINC000330830884 264049825 /nfs/dbraw/zinc/04/98/25/264049825.db2.gz JCPHVTZPEVADHH-UHFFFAOYSA-N 1 2 268.361 0.905 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330972122 264092548 /nfs/dbraw/zinc/09/25/48/264092548.db2.gz NDFVLVAKQHJFFF-MXWKQRLJSA-N 1 2 282.344 0.372 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330972122 264092549 /nfs/dbraw/zinc/09/25/49/264092549.db2.gz NDFVLVAKQHJFFF-MXWKQRLJSA-N 1 2 282.344 0.372 20 30 CCEDLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H](CCO)C1 ZINC000330922023 264093968 /nfs/dbraw/zinc/09/39/68/264093968.db2.gz ASLNNPBZTBTZMO-NSHDSACASA-N 1 2 252.318 0.501 20 30 CCEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CC[C@@H](CCO)C1 ZINC000330922023 264093970 /nfs/dbraw/zinc/09/39/70/264093970.db2.gz ASLNNPBZTBTZMO-NSHDSACASA-N 1 2 252.318 0.501 20 30 CCEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000331026801 264099355 /nfs/dbraw/zinc/09/93/55/264099355.db2.gz PLIXPLIUUKFPEH-NSHDSACASA-N 1 2 293.371 0.773 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)C1 ZINC000331103218 264124357 /nfs/dbraw/zinc/12/43/57/264124357.db2.gz DKHYOJINRHDGEA-VXGBXAGGSA-N 1 2 287.404 0.618 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)C1 ZINC000331103218 264124359 /nfs/dbraw/zinc/12/43/59/264124359.db2.gz DKHYOJINRHDGEA-VXGBXAGGSA-N 1 2 287.404 0.618 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCC#N ZINC000331154145 264139990 /nfs/dbraw/zinc/13/99/90/264139990.db2.gz PADCIBSFJLMCJF-UHFFFAOYSA-N 1 2 254.334 0.514 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCC#N ZINC000331154145 264139992 /nfs/dbraw/zinc/13/99/92/264139992.db2.gz PADCIBSFJLMCJF-UHFFFAOYSA-N 1 2 254.334 0.514 20 30 CCEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(O)c1 ZINC000331230612 264152280 /nfs/dbraw/zinc/15/22/80/264152280.db2.gz HGCMYMJMQOATOL-GFCCVEGCSA-N 1 2 294.351 0.698 20 30 CCEDLO CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000331231881 264153252 /nfs/dbraw/zinc/15/32/52/264153252.db2.gz FCBJORCRWKDAEV-UHFFFAOYSA-N 1 2 281.360 0.373 20 30 CCEDLO CCOC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000331218362 264165229 /nfs/dbraw/zinc/16/52/29/264165229.db2.gz HMFMVPOHAUGCBO-GFCCVEGCSA-N 1 2 286.420 0.551 20 30 CCEDLO CCOC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000331218362 264165230 /nfs/dbraw/zinc/16/52/30/264165230.db2.gz HMFMVPOHAUGCBO-GFCCVEGCSA-N 1 2 286.420 0.551 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCNC1=O ZINC000331309365 264186453 /nfs/dbraw/zinc/18/64/53/264186453.db2.gz UECZRCRVVWGZLQ-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCNC1=O ZINC000331309365 264186454 /nfs/dbraw/zinc/18/64/54/264186454.db2.gz UECZRCRVVWGZLQ-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000331296002 264197542 /nfs/dbraw/zinc/19/75/42/264197542.db2.gz COUFNCDEPGIANA-LLVKDONJSA-N 1 2 289.401 0.176 20 30 CCEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000331296002 264197544 /nfs/dbraw/zinc/19/75/44/264197544.db2.gz COUFNCDEPGIANA-LLVKDONJSA-N 1 2 289.401 0.176 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190117623 264392519 /nfs/dbraw/zinc/39/25/19/264392519.db2.gz GIAKAXLXVZXDLM-IHRRRGAJSA-N 1 2 284.400 0.881 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190117623 264392522 /nfs/dbraw/zinc/39/25/22/264392522.db2.gz GIAKAXLXVZXDLM-IHRRRGAJSA-N 1 2 284.400 0.881 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC000080061817 264394751 /nfs/dbraw/zinc/39/47/51/264394751.db2.gz IYKCZZBYWGYAHW-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC000080061817 264394753 /nfs/dbraw/zinc/39/47/53/264394753.db2.gz IYKCZZBYWGYAHW-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C=CCN(CCOC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000357659895 266342476 /nfs/dbraw/zinc/34/24/76/266342476.db2.gz PQYORQVXVXVNTE-UHFFFAOYSA-N 1 2 251.334 0.885 20 30 CCEDLO C=CCN(CCOC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000357659895 266342479 /nfs/dbraw/zinc/34/24/79/266342479.db2.gz PQYORQVXVXVNTE-UHFFFAOYSA-N 1 2 251.334 0.885 20 30 CCEDLO C[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000357812292 266370599 /nfs/dbraw/zinc/37/05/99/266370599.db2.gz ZKPTZSFWHHDBPX-NSHDSACASA-N 1 2 274.324 0.694 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000363045046 267073418 /nfs/dbraw/zinc/07/34/18/267073418.db2.gz BPVICFGHFRQTDA-GFCCVEGCSA-N 1 2 291.376 0.857 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000363045046 267073421 /nfs/dbraw/zinc/07/34/21/267073421.db2.gz BPVICFGHFRQTDA-GFCCVEGCSA-N 1 2 291.376 0.857 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368903888 267212146 /nfs/dbraw/zinc/21/21/46/267212146.db2.gz ZPIKPUSVBNWCFA-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368903888 267212147 /nfs/dbraw/zinc/21/21/47/267212147.db2.gz ZPIKPUSVBNWCFA-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO Cc1cc(NCC(=O)NCC(F)F)c(C#N)c[nH+]1 ZINC000399507902 267300354 /nfs/dbraw/zinc/30/03/54/267300354.db2.gz LWCSPJIAVZDZOW-UHFFFAOYSA-N 1 2 254.240 0.477 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970480 277692743 /nfs/dbraw/zinc/69/27/43/277692743.db2.gz IPVYHTVSXKVJIJ-VIFPVBQESA-N 1 2 278.274 0.514 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346118331 277792289 /nfs/dbraw/zinc/79/22/89/277792289.db2.gz BLZQFSNQFRBGHS-ILXRZTDVSA-N 1 2 294.395 0.901 20 30 CCEDLO N#CC1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000044385322 279476057 /nfs/dbraw/zinc/47/60/57/279476057.db2.gz VKQXKGFVMUPAEP-UHFFFAOYSA-N 1 2 265.357 0.909 20 30 CCEDLO Cc1nnc(CCNC(=O)C2([NH+]3CCOCC3)CCC2)[nH]1 ZINC000329491345 293255651 /nfs/dbraw/zinc/25/56/51/293255651.db2.gz ZFJSDEZUXMNHPI-UHFFFAOYSA-N 1 2 293.371 0.867 20 30 CCEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000187800548 327722863 /nfs/dbraw/zinc/72/28/63/327722863.db2.gz YUSZZHGILNKVRV-UHFFFAOYSA-N 1 2 299.374 0.726 20 30 CCEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000567995652 328001529 /nfs/dbraw/zinc/00/15/29/328001529.db2.gz QZWNIUDXHMOYQP-ZDUSSCGKSA-N 1 2 262.313 0.664 20 30 CCEDLO CC1CC(C#N)(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000531570734 328018719 /nfs/dbraw/zinc/01/87/19/328018719.db2.gz NNPFLQQYQGTAFM-JVWICGRDSA-N 1 2 295.383 0.078 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565175981 328082556 /nfs/dbraw/zinc/08/25/56/328082556.db2.gz YDEKJWJCTZMMFM-UHFFFAOYSA-N 1 2 256.309 0.810 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565175981 328082558 /nfs/dbraw/zinc/08/25/58/328082558.db2.gz YDEKJWJCTZMMFM-UHFFFAOYSA-N 1 2 256.309 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366590101 328237680 /nfs/dbraw/zinc/23/76/80/328237680.db2.gz LAHALISJEXCUFO-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366590101 328237681 /nfs/dbraw/zinc/23/76/81/328237681.db2.gz LAHALISJEXCUFO-GXTWGEPZSA-N 1 2 268.357 0.559 20 30 CCEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ncn1 ZINC000292406006 328269962 /nfs/dbraw/zinc/26/99/62/328269962.db2.gz JWXVNMSWKMKEFM-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187667729 328301312 /nfs/dbraw/zinc/30/13/12/328301312.db2.gz SAVSVEBCJWRQLZ-CABCVRRESA-N 1 2 297.443 0.798 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187667729 328301313 /nfs/dbraw/zinc/30/13/13/328301313.db2.gz SAVSVEBCJWRQLZ-CABCVRRESA-N 1 2 297.443 0.798 20 30 CCEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000182408253 328509266 /nfs/dbraw/zinc/50/92/66/328509266.db2.gz QWZRHUPWNYBUPR-LBPRGKRZSA-N 1 2 289.401 0.008 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(C)n(CC)c2=S)CC1 ZINC000102389394 328562978 /nfs/dbraw/zinc/56/29/78/328562978.db2.gz ABMWDAZJFOQVGI-UHFFFAOYSA-N 1 2 279.413 0.951 20 30 CCEDLO C[C@@H]1C[NH+](C[C@@H](O)CC2(C#N)CC2)C[C@@H](C)S1=O ZINC000528477755 328648798 /nfs/dbraw/zinc/64/87/98/328648798.db2.gz PFSCZZJFMQBQBN-UTUOFQBUSA-N 1 2 270.398 0.882 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000564398355 327018829 /nfs/dbraw/zinc/01/88/29/327018829.db2.gz SJCNURWGBOZICC-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000564398355 327018830 /nfs/dbraw/zinc/01/88/30/327018830.db2.gz SJCNURWGBOZICC-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO Cc1cc(NC(=O)Cn2cc[nH+]c2)n(CCC#N)n1 ZINC000566043098 327119395 /nfs/dbraw/zinc/11/93/95/327119395.db2.gz LEHYOEIANLFSPK-UHFFFAOYSA-N 1 2 258.285 0.940 20 30 CCEDLO CN(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000081158121 327143556 /nfs/dbraw/zinc/14/35/56/327143556.db2.gz CPOOSUAMCOTPBZ-UHFFFAOYSA-N 1 2 294.399 0.155 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC000152106795 327247068 /nfs/dbraw/zinc/24/70/68/327247068.db2.gz WAGHODLXWQMLRB-UHFFFAOYSA-N 1 2 289.379 0.380 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC000152106795 327247070 /nfs/dbraw/zinc/24/70/70/327247070.db2.gz WAGHODLXWQMLRB-UHFFFAOYSA-N 1 2 289.379 0.380 20 30 CCEDLO N#CCNC(=O)C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000507282071 332801756 /nfs/dbraw/zinc/80/17/56/332801756.db2.gz RHBWTKZDIRQHAI-CQSZACIVSA-N 1 2 286.335 0.236 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000377532816 329017901 /nfs/dbraw/zinc/01/79/01/329017901.db2.gz BLZQFSNQFRBGHS-RBSFLKMASA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582603877 329114544 /nfs/dbraw/zinc/11/45/44/329114544.db2.gz AMCFYUMGHSCDRA-LBPRGKRZSA-N 1 2 256.371 0.497 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582603877 329114546 /nfs/dbraw/zinc/11/45/46/329114546.db2.gz AMCFYUMGHSCDRA-LBPRGKRZSA-N 1 2 256.371 0.497 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000185915585 329332558 /nfs/dbraw/zinc/33/25/58/329332558.db2.gz LLAIDYFFHVOTPR-CHWSQXEVSA-N 1 2 251.374 0.705 20 30 CCEDLO CC(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000583266829 329413544 /nfs/dbraw/zinc/41/35/44/329413544.db2.gz XVFAGMCPZXVGJZ-AWEZNQCLSA-N 1 2 289.339 0.614 20 30 CCEDLO CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000078779075 329969713 /nfs/dbraw/zinc/96/97/13/329969713.db2.gz MRMAOFMPRCWRAI-LBPRGKRZSA-N 1 2 295.387 0.094 20 30 CCEDLO CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000078779080 329969821 /nfs/dbraw/zinc/96/98/21/329969821.db2.gz MRMAOFMPRCWRAI-GFCCVEGCSA-N 1 2 295.387 0.094 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491042 330256062 /nfs/dbraw/zinc/25/60/62/330256062.db2.gz PJUBECGWCGQYNC-WDEREUQCSA-N 1 2 251.330 0.204 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491042 330256064 /nfs/dbraw/zinc/25/60/64/330256064.db2.gz PJUBECGWCGQYNC-WDEREUQCSA-N 1 2 251.330 0.204 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)nn1 ZINC000424290870 330334736 /nfs/dbraw/zinc/33/47/36/330334736.db2.gz CHXQNDQXJXVQLO-OLZOCXBDSA-N 1 2 298.412 0.910 20 30 CCEDLO C#CC[N@@H+](CCSCC)[C@@H]1CCS(=O)(=O)C1 ZINC000119071617 330369780 /nfs/dbraw/zinc/36/97/80/330369780.db2.gz YRHDWGXAWBAENT-LLVKDONJSA-N 1 2 261.412 0.862 20 30 CCEDLO C#CC[N@H+](CCSCC)[C@@H]1CCS(=O)(=O)C1 ZINC000119071617 330369781 /nfs/dbraw/zinc/36/97/81/330369781.db2.gz YRHDWGXAWBAENT-LLVKDONJSA-N 1 2 261.412 0.862 20 30 CCEDLO C=CCCS(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000433365364 330627166 /nfs/dbraw/zinc/62/71/66/330627166.db2.gz WWIQOWMKQAAVKX-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000435420729 330654446 /nfs/dbraw/zinc/65/44/46/330654446.db2.gz FRMQGXNTAKXFJE-LBPRGKRZSA-N 1 2 276.402 0.545 20 30 CCEDLO C=C(CC)C[NH+]=c1[nH]c2c(c(=O)[nH]c(=O)n2C)n1C ZINC000450911315 331006726 /nfs/dbraw/zinc/00/67/26/331006726.db2.gz KJCCJHJIBMBXCK-UHFFFAOYSA-N 1 2 263.301 0.173 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458181357 331244436 /nfs/dbraw/zinc/24/44/36/331244436.db2.gz QNSNDSYIWZSQGB-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458181357 331244437 /nfs/dbraw/zinc/24/44/37/331244437.db2.gz QNSNDSYIWZSQGB-CYBMUJFWSA-N 1 2 299.415 0.724 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458312598 331248174 /nfs/dbraw/zinc/24/81/74/331248174.db2.gz NHWOAPMHOOWPCV-QWHCGFSZSA-N 1 2 267.373 0.760 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000459821928 331302226 /nfs/dbraw/zinc/30/22/26/331302226.db2.gz MBKNPYIJIZPUQB-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000186763860 333164609 /nfs/dbraw/zinc/16/46/09/333164609.db2.gz BNMNSNBVKNXKNQ-UHFFFAOYSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000186763860 333164610 /nfs/dbraw/zinc/16/46/10/333164610.db2.gz BNMNSNBVKNXKNQ-UHFFFAOYSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000489293551 332045742 /nfs/dbraw/zinc/04/57/42/332045742.db2.gz KTXIXRYCEJKBFF-GFCCVEGCSA-N 1 2 275.418 0.118 20 30 CCEDLO C=CCCCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000489293551 332045743 /nfs/dbraw/zinc/04/57/43/332045743.db2.gz KTXIXRYCEJKBFF-GFCCVEGCSA-N 1 2 275.418 0.118 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC000490615150 332095499 /nfs/dbraw/zinc/09/54/99/332095499.db2.gz DNMREMAZSXBTOV-AUWJEWJLSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC000490615150 332095500 /nfs/dbraw/zinc/09/55/00/332095500.db2.gz DNMREMAZSXBTOV-AUWJEWJLSA-N 1 2 291.395 0.626 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000490713176 332107147 /nfs/dbraw/zinc/10/71/47/332107147.db2.gz ITBHQKCVQQLAQV-CQSZACIVSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CC[NH+]1CCN(c2ncc(C(=O)OC)cn2)CC1 ZINC000491095936 332147398 /nfs/dbraw/zinc/14/73/98/332147398.db2.gz NSPVOIQXNNAKNU-UHFFFAOYSA-N 1 2 260.297 0.018 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2C(F)F)CC1 ZINC000491104427 332150331 /nfs/dbraw/zinc/15/03/31/332150331.db2.gz SMPJSZGEYYWMHY-CYBMUJFWSA-N 1 2 299.365 0.883 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000491165642 332160000 /nfs/dbraw/zinc/16/00/00/332160000.db2.gz MKUABDBSBHJAPP-CYBMUJFWSA-N 1 2 291.376 0.361 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000491165642 332160001 /nfs/dbraw/zinc/16/00/01/332160001.db2.gz MKUABDBSBHJAPP-CYBMUJFWSA-N 1 2 291.376 0.361 20 30 CCEDLO C#CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000491417552 332208018 /nfs/dbraw/zinc/20/80/18/332208018.db2.gz NVRVSOLDKCIREK-UHFFFAOYSA-N 1 2 288.351 0.773 20 30 CCEDLO C#CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000491417552 332208019 /nfs/dbraw/zinc/20/80/19/332208019.db2.gz NVRVSOLDKCIREK-UHFFFAOYSA-N 1 2 288.351 0.773 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000491426651 332209268 /nfs/dbraw/zinc/20/92/68/332209268.db2.gz HEDPINLHXJAIMB-CYBMUJFWSA-N 1 2 288.351 0.691 20 30 CCEDLO C#CCn1ccc(CN(CC)c2nc[nH+]c(N)c2OC)n1 ZINC000491536170 332231736 /nfs/dbraw/zinc/23/17/36/332231736.db2.gz IFEWXRHYVMFNMV-UHFFFAOYSA-N 1 2 286.339 0.924 20 30 CCEDLO C#CCn1ccc(CN(CC)c2[nH+]cnc(N)c2OC)n1 ZINC000491536170 332231737 /nfs/dbraw/zinc/23/17/37/332231737.db2.gz IFEWXRHYVMFNMV-UHFFFAOYSA-N 1 2 286.339 0.924 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491625100 332249086 /nfs/dbraw/zinc/24/90/86/332249086.db2.gz HPDVSBBVYJQCCD-CYBMUJFWSA-N 1 2 284.319 0.878 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000491680052 332283850 /nfs/dbraw/zinc/28/38/50/332283850.db2.gz HNMHAEDILQFHOU-UHFFFAOYSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000491680052 332283852 /nfs/dbraw/zinc/28/38/52/332283852.db2.gz HNMHAEDILQFHOU-UHFFFAOYSA-N 1 2 277.368 0.211 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000491689285 332286653 /nfs/dbraw/zinc/28/66/53/332286653.db2.gz HRJFJEOJMFEWGP-KGLIPLIRSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000491689285 332286655 /nfs/dbraw/zinc/28/66/55/332286655.db2.gz HRJFJEOJMFEWGP-KGLIPLIRSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000491734273 332315115 /nfs/dbraw/zinc/31/51/15/332315115.db2.gz DWPIUMFRWKBCQK-JTQLQIEISA-N 1 2 275.308 0.947 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000491767094 332334781 /nfs/dbraw/zinc/33/47/81/332334781.db2.gz GENBRIAFCOTCCA-OLZOCXBDSA-N 1 2 281.377 0.960 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000491767094 332334782 /nfs/dbraw/zinc/33/47/82/332334782.db2.gz GENBRIAFCOTCCA-OLZOCXBDSA-N 1 2 281.377 0.960 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000494564408 332478104 /nfs/dbraw/zinc/47/81/04/332478104.db2.gz LBAXHHPLDKPMFD-LBPRGKRZSA-N 1 2 279.340 0.820 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000178143733 333068463 /nfs/dbraw/zinc/06/84/63/333068463.db2.gz OAKYQMNAWPJPGY-NSHDSACASA-N 1 2 259.309 0.656 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)OCO2 ZINC000576044165 335145136 /nfs/dbraw/zinc/14/51/36/335145136.db2.gz KIERKPLCIUSBQT-CQSZACIVSA-N 1 2 275.308 0.989 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000125778228 333572822 /nfs/dbraw/zinc/57/28/22/333572822.db2.gz LVRGYDJPVBGCKA-UHFFFAOYSA-N 1 2 251.330 0.063 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000076570669 334084767 /nfs/dbraw/zinc/08/47/67/334084767.db2.gz REVPYNHFXHJENW-NWDGAFQWSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000076570669 334084768 /nfs/dbraw/zinc/08/47/68/334084768.db2.gz REVPYNHFXHJENW-NWDGAFQWSA-N 1 2 280.372 0.334 20 30 CCEDLO CC(=O)CCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000548122602 334141009 /nfs/dbraw/zinc/14/10/09/334141009.db2.gz UUSXKHSKAXJEEH-UHFFFAOYSA-N 1 2 251.330 0.850 20 30 CCEDLO CCC[C@@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000549484796 334195250 /nfs/dbraw/zinc/19/52/50/334195250.db2.gz ISTBJCRYXAKQMM-NSHDSACASA-N 1 2 268.361 0.251 20 30 CCEDLO CCC[C@@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000549484796 334195251 /nfs/dbraw/zinc/19/52/51/334195251.db2.gz ISTBJCRYXAKQMM-NSHDSACASA-N 1 2 268.361 0.251 20 30 CCEDLO CCOCCO[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566306311 334641872 /nfs/dbraw/zinc/64/18/72/334641872.db2.gz LTBCCMRVTBGNNY-WCQYABFASA-N 1 2 271.361 0.388 20 30 CCEDLO Cn1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000576640823 335229592 /nfs/dbraw/zinc/22/95/92/335229592.db2.gz XUENOJJIULSJMD-CYBMUJFWSA-N 1 2 263.345 0.313 20 30 CCEDLO COc1cc(C)cnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577180551 335317870 /nfs/dbraw/zinc/31/78/70/335317870.db2.gz IJBQGLCOIVYNOE-AWEZNQCLSA-N 1 2 276.340 0.972 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000577625045 335381128 /nfs/dbraw/zinc/38/11/28/335381128.db2.gz LSBUEMVSIPTFPW-JQWIXIFHSA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1cc(NCCS(=O)(=O)NC2CC2)c(C#N)c[nH+]1 ZINC000578883452 335685101 /nfs/dbraw/zinc/68/51/01/335685101.db2.gz FHVDMYMGIRIGSI-UHFFFAOYSA-N 1 2 280.353 0.177 20 30 CCEDLO C[C@@H]1COCC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581136335 336014070 /nfs/dbraw/zinc/01/40/70/336014070.db2.gz XRRODWALDDTOAS-NTZNESFSSA-N 1 2 253.346 0.619 20 30 CCEDLO Cc1cc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C#N)c[nH+]1 ZINC000581425647 336075154 /nfs/dbraw/zinc/07/51/54/336075154.db2.gz RWDNNEXFQJUTGZ-ABAIWWIYSA-N 1 2 299.334 0.474 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)C[NH+]2CC(C)(C)C2)C1=O ZINC000581735966 336140416 /nfs/dbraw/zinc/14/04/16/336140416.db2.gz HWLWLCAUDVPPQM-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C[C@](O)(C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330301254 534156169 /nfs/dbraw/zinc/15/61/69/534156169.db2.gz NQJJTRTWOPZCLX-RISCZKNCSA-N 1 2 278.356 0.863 20 30 CCEDLO C[C@](O)(CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330301254 534156171 /nfs/dbraw/zinc/15/61/71/534156171.db2.gz NQJJTRTWOPZCLX-RISCZKNCSA-N 1 2 278.356 0.863 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCSC1 ZINC000329968052 534751011 /nfs/dbraw/zinc/75/10/11/534751011.db2.gz WMGMZQKXLHNWOX-LLVKDONJSA-N 1 2 285.413 0.860 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000352672611 526509573 /nfs/dbraw/zinc/50/95/73/526509573.db2.gz VFEZJWFYSXGPLX-MJBXVCDLSA-N 1 2 280.368 0.653 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000352672611 526509581 /nfs/dbraw/zinc/50/95/81/526509581.db2.gz VFEZJWFYSXGPLX-MJBXVCDLSA-N 1 2 280.368 0.653 20 30 CCEDLO C=C1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000336593571 526897042 /nfs/dbraw/zinc/89/70/42/526897042.db2.gz CMJGESBMPAWLMY-ZDUSSCGKSA-N 1 2 251.374 0.801 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000667814954 545156657 /nfs/dbraw/zinc/15/66/57/545156657.db2.gz FSZLZKVWBDJQBA-TZMCWYRMSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000667814954 545156658 /nfs/dbraw/zinc/15/66/58/545156658.db2.gz FSZLZKVWBDJQBA-TZMCWYRMSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000667825887 545157248 /nfs/dbraw/zinc/15/72/48/545157248.db2.gz LVYWYLJUASJUMW-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000667825887 545157249 /nfs/dbraw/zinc/15/72/49/545157249.db2.gz LVYWYLJUASJUMW-ZDUSSCGKSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354648994 527580088 /nfs/dbraw/zinc/58/00/88/527580088.db2.gz JVMQTYBJFFMSEY-SNVBAGLBSA-N 1 2 288.307 0.244 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347108139 527635852 /nfs/dbraw/zinc/63/58/52/527635852.db2.gz OXRLIUCKFMRLKE-AVGNSLFASA-N 1 2 295.383 0.150 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347108139 527635856 /nfs/dbraw/zinc/63/58/56/527635856.db2.gz OXRLIUCKFMRLKE-AVGNSLFASA-N 1 2 295.383 0.150 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000668604994 545183814 /nfs/dbraw/zinc/18/38/14/545183814.db2.gz ZGJUTPOXGMEWPQ-SNVBAGLBSA-N 1 2 250.302 0.497 20 30 CCEDLO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330053084 528227145 /nfs/dbraw/zinc/22/71/45/528227145.db2.gz PZCKYZIBJPZALP-QMMMGPOBSA-N 1 2 253.306 0.841 20 30 CCEDLO CCC[N@H+]1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330053084 528227147 /nfs/dbraw/zinc/22/71/47/528227147.db2.gz PZCKYZIBJPZALP-QMMMGPOBSA-N 1 2 253.306 0.841 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000679490722 545410360 /nfs/dbraw/zinc/41/03/60/545410360.db2.gz TXXZQRXKVHOLGJ-QWHCGFSZSA-N 1 2 285.388 0.597 20 30 CCEDLO C=CCOCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000679528643 545411179 /nfs/dbraw/zinc/41/11/79/545411179.db2.gz YFBKROXLTVKDCY-UHFFFAOYSA-N 1 2 279.296 0.348 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790363069 581185209 /nfs/dbraw/zinc/18/52/09/581185209.db2.gz QWUUVPAWBURVPI-OUCADQQQSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCOCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000784591558 581169010 /nfs/dbraw/zinc/16/90/10/581169010.db2.gz RJNIHTRECGTJCX-UHFFFAOYSA-N 1 2 271.320 0.951 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790363069 581185207 /nfs/dbraw/zinc/18/52/07/581185207.db2.gz QWUUVPAWBURVPI-OUCADQQQSA-N 1 2 266.341 0.004 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382452 581185659 /nfs/dbraw/zinc/18/56/59/581185659.db2.gz BJYMBQFMGWGOHA-BZPMIXESSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCCC#N)C[C@@H](C)O2 ZINC000790382452 581185661 /nfs/dbraw/zinc/18/56/61/581185661.db2.gz BJYMBQFMGWGOHA-BZPMIXESSA-N 1 2 281.356 0.285 20 30 CCEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)NCCC#N)CCO1 ZINC000790426043 581186814 /nfs/dbraw/zinc/18/68/14/581186814.db2.gz FABDPMRNLXKJST-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)NCCC#N)CCO1 ZINC000790426043 581186817 /nfs/dbraw/zinc/18/68/17/581186817.db2.gz FABDPMRNLXKJST-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1=O ZINC000790453108 581188098 /nfs/dbraw/zinc/18/80/98/581188098.db2.gz ISZGIFZVDNKYRF-CYBMUJFWSA-N 1 2 286.335 0.374 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1=O ZINC000790453108 581188100 /nfs/dbraw/zinc/18/81/00/581188100.db2.gz ISZGIFZVDNKYRF-CYBMUJFWSA-N 1 2 286.335 0.374 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000780849952 581246253 /nfs/dbraw/zinc/24/62/53/581246253.db2.gz RZSJWZSBHYOZCQ-CQSZACIVSA-N 1 2 284.319 0.995 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780940798 581251216 /nfs/dbraw/zinc/25/12/16/581251216.db2.gz QEMISSZDUCHLRL-OAHLLOKOSA-N 1 2 283.331 0.369 20 30 CCEDLO C#CCOCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000784325319 581379980 /nfs/dbraw/zinc/37/99/80/581379980.db2.gz GHRPAUPWORDDFD-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CC2OCCO2)CC1 ZINC000795040763 581395720 /nfs/dbraw/zinc/39/57/20/581395720.db2.gz GBBZUANYPHJNMC-UHFFFAOYSA-N 1 2 274.324 0.448 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc(C#N)cn1 ZINC000784914338 581398602 /nfs/dbraw/zinc/39/86/02/581398602.db2.gz MVEULXZAZSEYQK-NSHDSACASA-N 1 2 275.308 0.831 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000796194770 581434301 /nfs/dbraw/zinc/43/43/01/581434301.db2.gz CUBKGNRBUWMKCJ-LBPRGKRZSA-N 1 2 261.329 0.967 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000796194770 581434302 /nfs/dbraw/zinc/43/43/02/581434302.db2.gz CUBKGNRBUWMKCJ-LBPRGKRZSA-N 1 2 261.329 0.967 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000786231241 581434744 /nfs/dbraw/zinc/43/47/44/581434744.db2.gz FCFFCPMQOCXOFL-AAEUAGOBSA-N 1 2 284.335 0.354 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000786231241 581434745 /nfs/dbraw/zinc/43/47/45/581434745.db2.gz FCFFCPMQOCXOFL-AAEUAGOBSA-N 1 2 284.335 0.354 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000796603429 581445951 /nfs/dbraw/zinc/44/59/51/581445951.db2.gz JAUBTJNMOYZKEZ-ORAYPTAESA-N 1 2 285.413 0.449 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796607617 581446281 /nfs/dbraw/zinc/44/62/81/581446281.db2.gz VKFFXNJQKQDQHS-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796607617 581446284 /nfs/dbraw/zinc/44/62/84/581446284.db2.gz VKFFXNJQKQDQHS-OCCSQVGLSA-N 1 2 266.341 0.006 20 30 CCEDLO C[C@@H](C(=O)NC1=NO[C@H](C)C1)[NH+]1CCSCC1 ZINC000765384212 581510703 /nfs/dbraw/zinc/51/07/03/581510703.db2.gz MOEGFDRHSNZPJA-BDAKNGLRSA-N 1 2 257.359 0.662 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000752855620 581518794 /nfs/dbraw/zinc/51/87/94/581518794.db2.gz BWIIVOPZZUTTKM-UHFFFAOYSA-N 1 2 281.356 0.587 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000752855620 581518795 /nfs/dbraw/zinc/51/87/95/581518795.db2.gz BWIIVOPZZUTTKM-UHFFFAOYSA-N 1 2 281.356 0.587 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H](O)C1 ZINC000733998371 581538178 /nfs/dbraw/zinc/53/81/78/581538178.db2.gz SZIXHXKAMJBVES-NSHDSACASA-N 1 2 284.319 0.487 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H](O)C1 ZINC000733998371 581538181 /nfs/dbraw/zinc/53/81/81/581538181.db2.gz SZIXHXKAMJBVES-NSHDSACASA-N 1 2 284.319 0.487 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000765963878 581542846 /nfs/dbraw/zinc/54/28/46/581542846.db2.gz MLKUVWZXUFVHOZ-CQSZACIVSA-N 1 2 298.346 0.485 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000755479490 581641918 /nfs/dbraw/zinc/64/19/18/581641918.db2.gz VEWSCBNOKFCTJA-GXTWGEPZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000755479490 581641925 /nfs/dbraw/zinc/64/19/25/581641925.db2.gz VEWSCBNOKFCTJA-GXTWGEPZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC000768125200 581645541 /nfs/dbraw/zinc/64/55/41/581645541.db2.gz MIIPVNDNUICDLI-UHFFFAOYSA-N 1 2 262.284 0.922 20 30 CCEDLO C=C(Cl)CNC(=S)NCC[NH+]1CCOCC1 ZINC000735982449 581678420 /nfs/dbraw/zinc/67/84/20/581678420.db2.gz SYGKGFDSABNJEQ-UHFFFAOYSA-N 1 2 263.794 0.535 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000730273392 581688507 /nfs/dbraw/zinc/68/85/07/581688507.db2.gz UEEIUDAEPYGWQI-LBPRGKRZSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000730273392 581688510 /nfs/dbraw/zinc/68/85/10/581688510.db2.gz UEEIUDAEPYGWQI-LBPRGKRZSA-N 1 2 279.384 0.457 20 30 CCEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N)cc1C ZINC000758109697 581721848 /nfs/dbraw/zinc/72/18/48/581721848.db2.gz JOOGGDAELUPCFJ-UHFFFAOYSA-N 1 2 279.369 0.251 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758189383 581725384 /nfs/dbraw/zinc/72/53/84/581725384.db2.gz IYMNCKVDZNETCS-LLVKDONJSA-N 1 2 275.308 0.481 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758189383 581725388 /nfs/dbraw/zinc/72/53/88/581725388.db2.gz IYMNCKVDZNETCS-LLVKDONJSA-N 1 2 275.308 0.481 20 30 CCEDLO COC(=O)[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758220881 581728396 /nfs/dbraw/zinc/72/83/96/581728396.db2.gz CRLFARZICCAGRI-LBPRGKRZSA-N 1 2 275.308 0.562 20 30 CCEDLO COC(=O)[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758220881 581728399 /nfs/dbraw/zinc/72/83/99/581728399.db2.gz CRLFARZICCAGRI-LBPRGKRZSA-N 1 2 275.308 0.562 20 30 CCEDLO CC(C)S(=O)(=O)NN=Cc1cccc2[nH+]ccn21 ZINC000771098932 581791728 /nfs/dbraw/zinc/79/17/28/581791728.db2.gz AWWJBMWYWSMXIA-UHFFFAOYSA-N 1 2 266.326 0.996 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000743654762 581821653 /nfs/dbraw/zinc/82/16/53/581821653.db2.gz LBVLQEXXYGDWQR-SWLSCSKDSA-N 1 2 276.336 0.701 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000743654762 581821656 /nfs/dbraw/zinc/82/16/56/581821656.db2.gz LBVLQEXXYGDWQR-SWLSCSKDSA-N 1 2 276.336 0.701 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H]1CO ZINC000744406772 581840791 /nfs/dbraw/zinc/84/07/91/581840791.db2.gz IAJJIDGWBVFXRJ-LBPRGKRZSA-N 1 2 298.346 0.877 20 30 CCEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H]1CO ZINC000744406772 581840794 /nfs/dbraw/zinc/84/07/94/581840794.db2.gz IAJJIDGWBVFXRJ-LBPRGKRZSA-N 1 2 298.346 0.877 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000760440973 581859766 /nfs/dbraw/zinc/85/97/66/581859766.db2.gz PULUYOVLRFPJCQ-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(=O)OC)nc2)CC1 ZINC000733162410 581868044 /nfs/dbraw/zinc/86/80/44/581868044.db2.gz WFSPCJKIDBMCBX-UHFFFAOYSA-N 1 2 287.319 0.259 20 30 CCEDLO C=CCN1CC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000760940962 581880374 /nfs/dbraw/zinc/88/03/74/581880374.db2.gz VJPUONOHBSQCMT-UHFFFAOYSA-N 1 2 281.356 0.547 20 30 CCEDLO COC(=O)/C(C)=C/C[NH+]1CCN(CCC#N)CC1 ZINC000760943969 581880659 /nfs/dbraw/zinc/88/06/59/581880659.db2.gz NTRVPKPUGXKSJW-UUILKARUSA-N 1 2 251.330 0.637 20 30 CCEDLO Nc1ncc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cn1 ZINC000773121461 581909639 /nfs/dbraw/zinc/90/96/39/581909639.db2.gz SBJKWVNLXLZMDH-UHFFFAOYSA-N 1 2 292.324 0.152 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H]1CCCO1 ZINC000773372640 581924676 /nfs/dbraw/zinc/92/46/76/581924676.db2.gz AVZDOKIBAZXKNB-HZSPNIEDSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H]1CCCO1 ZINC000773372640 581924678 /nfs/dbraw/zinc/92/46/78/581924678.db2.gz AVZDOKIBAZXKNB-HZSPNIEDSA-N 1 2 295.383 0.187 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000749359974 582003791 /nfs/dbraw/zinc/00/37/91/582003791.db2.gz BZLVREIRMTZVSN-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1cccc(C#N)c1 ZINC000747864344 581955524 /nfs/dbraw/zinc/95/55/24/581955524.db2.gz SGNHZGSYKYWHGD-SNVBAGLBSA-N 1 2 290.323 0.708 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C(\C)C(=O)OC)CC1 ZINC000748810508 581988007 /nfs/dbraw/zinc/98/80/07/581988007.db2.gz UMVZMTRWSPQZNI-WLRTZDKTSA-N 1 2 295.383 0.026 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(C)no2)CC1 ZINC000749174039 581998493 /nfs/dbraw/zinc/99/84/93/581998493.db2.gz WXUWFKBWZKSNIC-UHFFFAOYSA-N 1 2 297.380 0.454 20 30 CCEDLO C=C(Cl)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000749345519 582003458 /nfs/dbraw/zinc/00/34/58/582003458.db2.gz AZFZVYMMODFFNI-HNNXBMFYSA-N 1 2 250.795 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000749359974 582003787 /nfs/dbraw/zinc/00/37/87/582003787.db2.gz BZLVREIRMTZVSN-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO C#CCCCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000775123717 582011888 /nfs/dbraw/zinc/01/18/88/582011888.db2.gz VZTXDJCKPMTIFS-UHFFFAOYSA-N 1 2 284.319 0.480 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000749577509 582013408 /nfs/dbraw/zinc/01/34/08/582013408.db2.gz XTZMMJJLACCIED-AWEZNQCLSA-N 1 2 295.383 0.880 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000749577509 582013410 /nfs/dbraw/zinc/01/34/10/582013410.db2.gz XTZMMJJLACCIED-AWEZNQCLSA-N 1 2 295.383 0.880 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000775560291 582028945 /nfs/dbraw/zinc/02/89/45/582028945.db2.gz RFODSOFIQBSGHE-UHFFFAOYSA-N 1 2 291.330 0.373 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(C=O)[nH]2)CC1 ZINC000749983546 582029432 /nfs/dbraw/zinc/02/94/32/582029432.db2.gz QPQKCDGWRSNJIX-UHFFFAOYSA-N 1 2 260.297 0.545 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000775790869 582038145 /nfs/dbraw/zinc/03/81/45/582038145.db2.gz KQEVTXYHAMEYNB-KGLIPLIRSA-N 1 2 298.342 0.844 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000775790869 582038147 /nfs/dbraw/zinc/03/81/47/582038147.db2.gz KQEVTXYHAMEYNB-KGLIPLIRSA-N 1 2 298.342 0.844 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000776594407 582083492 /nfs/dbraw/zinc/08/34/92/582083492.db2.gz FBHCBMGFUCEMOV-AWEZNQCLSA-N 1 2 265.401 0.884 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502127 612996993 /nfs/dbraw/zinc/99/69/93/612996993.db2.gz AXWSOCIWTGXXCY-NWDGAFQWSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502127 612996996 /nfs/dbraw/zinc/99/69/96/612996996.db2.gz AXWSOCIWTGXXCY-NWDGAFQWSA-N 1 2 256.321 0.575 20 30 CCEDLO C#CC1(F)CN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000883739016 612947379 /nfs/dbraw/zinc/94/73/79/612947379.db2.gz NNEMIUSSOHEQRP-UHFFFAOYSA-N 1 2 250.277 0.329 20 30 CCEDLO C#CCSCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000838485125 613016887 /nfs/dbraw/zinc/01/68/87/613016887.db2.gz CGDNKUZSCKOOCT-UHFFFAOYSA-N 1 2 266.370 0.628 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000875195012 613020537 /nfs/dbraw/zinc/02/05/37/613020537.db2.gz ODYNPUMJODDMGL-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000875195012 613020538 /nfs/dbraw/zinc/02/05/38/613020538.db2.gz ODYNPUMJODDMGL-KBPBESRZSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000816674810 613028187 /nfs/dbraw/zinc/02/81/87/613028187.db2.gz LBZWXDQCGHBXBE-JSGCOSHPSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000816674810 613028189 /nfs/dbraw/zinc/02/81/89/613028189.db2.gz LBZWXDQCGHBXBE-JSGCOSHPSA-N 1 2 280.368 0.130 20 30 CCEDLO C#CC1(O)CN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000892225802 612954393 /nfs/dbraw/zinc/95/43/93/612954393.db2.gz DCGPVORKOYCMSM-UHFFFAOYSA-N 1 2 262.313 0.053 20 30 CCEDLO C#CCCOC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000858879774 613049887 /nfs/dbraw/zinc/04/98/87/613049887.db2.gz SZWGXUSOEZUTLC-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CC[C@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000927295644 613075160 /nfs/dbraw/zinc/07/51/60/613075160.db2.gz VTEKSPGDOYSJGC-LLVKDONJSA-N 1 2 279.340 0.041 20 30 CCEDLO C#CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000844045766 612964015 /nfs/dbraw/zinc/96/40/15/612964015.db2.gz OICOSMYQAAXQBW-CYBMUJFWSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CCCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000877584313 612976734 /nfs/dbraw/zinc/97/67/34/612976734.db2.gz ZTFUGAFLLHSANS-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO C#CCCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000877584313 612976736 /nfs/dbraw/zinc/97/67/36/612976736.db2.gz ZTFUGAFLLHSANS-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO C#CCOCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000851908024 612984488 /nfs/dbraw/zinc/98/44/88/612984488.db2.gz JXULTANMQRBVQR-UHFFFAOYSA-N 1 2 261.281 0.998 20 30 CCEDLO C#CCOCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000851908024 612984490 /nfs/dbraw/zinc/98/44/90/612984490.db2.gz JXULTANMQRBVQR-UHFFFAOYSA-N 1 2 261.281 0.998 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC000950848671 612992437 /nfs/dbraw/zinc/99/24/37/612992437.db2.gz MOLLAZZZPKUJBQ-UHFFFAOYSA-N 1 2 298.350 0.523 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727061 612994674 /nfs/dbraw/zinc/99/46/74/612994674.db2.gz UNDGRYANJGJAEA-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836862007 612996053 /nfs/dbraw/zinc/99/60/53/612996053.db2.gz ZIKTVBJSYZXKFH-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836862007 612996054 /nfs/dbraw/zinc/99/60/54/612996054.db2.gz ZIKTVBJSYZXKFH-RWMBFGLXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000822213634 613001398 /nfs/dbraw/zinc/00/13/98/613001398.db2.gz TXECIEKWEDESPO-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928649950 613003030 /nfs/dbraw/zinc/00/30/30/613003030.db2.gz UGOZAPSMNTYTAU-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC000957121918 613008979 /nfs/dbraw/zinc/00/89/79/613008979.db2.gz GRHUZTTXCVASPH-ZDUSSCGKSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC000957929018 613010706 /nfs/dbraw/zinc/01/07/06/613010706.db2.gz SUXCTGDUVWNWEV-UHFFFAOYSA-N 1 2 274.368 0.764 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2conc2COC)CC1 ZINC000957298454 613011083 /nfs/dbraw/zinc/01/10/83/613011083.db2.gz RYPYJLXAXZAREZ-UHFFFAOYSA-N 1 2 277.324 0.602 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(F)CC2)CC1 ZINC000913969326 613012018 /nfs/dbraw/zinc/01/20/18/613012018.db2.gz NNMOJYMFHITREG-UHFFFAOYSA-N 1 2 274.361 0.459 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000863781449 613022086 /nfs/dbraw/zinc/02/20/86/613022086.db2.gz LWTKBSXCEDLWSY-STQMWFEESA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](CCOC)Nc1nc[nH+]c(N)c1OC ZINC000858858727 613023004 /nfs/dbraw/zinc/02/30/04/613023004.db2.gz PIBFTQJZGLBAMA-VIFPVBQESA-N 1 2 250.302 0.908 20 30 CCEDLO C#CC[C@@H](CCOC)Nc1[nH+]cnc(N)c1OC ZINC000858858727 613023006 /nfs/dbraw/zinc/02/30/06/613023006.db2.gz PIBFTQJZGLBAMA-VIFPVBQESA-N 1 2 250.302 0.908 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854542925 613024293 /nfs/dbraw/zinc/02/42/93/613024293.db2.gz SPNZMGTUSPWFLX-HNNXBMFYSA-N 1 2 297.358 0.974 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000798352518 613057208 /nfs/dbraw/zinc/05/72/08/613057208.db2.gz LFHWJWKVCPTWSB-NWDGAFQWSA-N 1 2 264.329 0.345 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000799081529 613058656 /nfs/dbraw/zinc/05/86/56/613058656.db2.gz WWDAEKPBKKNNJO-CYBMUJFWSA-N 1 2 284.319 0.771 20 30 CCEDLO C#CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000915828954 613067086 /nfs/dbraw/zinc/06/70/86/613067086.db2.gz ORRLYLNFKIMULY-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000915828954 613067088 /nfs/dbraw/zinc/06/70/88/613067088.db2.gz ORRLYLNFKIMULY-ZDUSSCGKSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CCn1ccc(CN(CC)C(=O)[C@H](O)c2c[nH+]c[nH]2)n1 ZINC000867929366 613078496 /nfs/dbraw/zinc/07/84/96/613078496.db2.gz ABSAMPFIQFXWQV-CYBMUJFWSA-N 1 2 287.323 0.322 20 30 CCEDLO C#C[C@@H](CC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922524550 613084055 /nfs/dbraw/zinc/08/40/55/613084055.db2.gz FEVSXHNGDQSADF-STQMWFEESA-N 1 2 267.373 0.808 20 30 CCEDLO C#CC[NH+](CC#C)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929757182 613099123 /nfs/dbraw/zinc/09/91/23/613099123.db2.gz FOVBKTAXMHANOO-CYBMUJFWSA-N 1 2 256.309 0.134 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925589036 613099999 /nfs/dbraw/zinc/09/99/99/613099999.db2.gz CFAHALYPDYIVKH-HNNXBMFYSA-N 1 2 291.395 0.765 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000847029417 613106526 /nfs/dbraw/zinc/10/65/26/613106526.db2.gz JYTAVNSATKOYDY-SNVBAGLBSA-N 1 2 260.345 0.365 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000847029417 613106529 /nfs/dbraw/zinc/10/65/29/613106529.db2.gz JYTAVNSATKOYDY-SNVBAGLBSA-N 1 2 260.345 0.365 20 30 CCEDLO C#CC[N@@H+](CCCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000859188189 613107647 /nfs/dbraw/zinc/10/76/47/613107647.db2.gz GIELHEQSICYEBR-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[N@H+](CCCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000859188189 613107649 /nfs/dbraw/zinc/10/76/49/613107649.db2.gz GIELHEQSICYEBR-GFCCVEGCSA-N 1 2 287.381 0.452 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C)CC(=C)C3)CC2)C1 ZINC000941559775 613114499 /nfs/dbraw/zinc/11/44/99/613114499.db2.gz LDYFUCXBJWRADI-UHFFFAOYSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000941363203 613114921 /nfs/dbraw/zinc/11/49/21/613114921.db2.gz PGZCUCUGKWTPQR-ZDUSSCGKSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCO3)CC2)C1 ZINC000941381188 613115752 /nfs/dbraw/zinc/11/57/52/613115752.db2.gz YZOQHDBLMHNKHO-OAHLLOKOSA-N 1 2 291.395 0.017 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852262235 613115939 /nfs/dbraw/zinc/11/59/39/613115939.db2.gz HWKYFKURPZYAQW-NWDGAFQWSA-N 1 2 251.330 0.124 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3occc3C)CC2)C1 ZINC000941311360 613116338 /nfs/dbraw/zinc/11/63/38/613116338.db2.gz GDMIONMTNXAKGQ-UHFFFAOYSA-N 1 2 287.363 0.663 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000854080625 613121186 /nfs/dbraw/zinc/12/11/86/613121186.db2.gz VPXFOSUADLFSHW-RWMBFGLXSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000854080625 613121187 /nfs/dbraw/zinc/12/11/87/613121187.db2.gz VPXFOSUADLFSHW-RWMBFGLXSA-N 1 2 267.373 0.807 20 30 CCEDLO C#C[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000907488288 613131150 /nfs/dbraw/zinc/13/11/50/613131150.db2.gz PLCQHSVAMNPDPG-CYAURGIBSA-N 1 2 292.379 0.562 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCOCC1 ZINC000856101505 613147654 /nfs/dbraw/zinc/14/76/54/613147654.db2.gz UZXUPZDSXUOSHM-KBPBESRZSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@@H]1CCCO1 ZINC000865531043 613150897 /nfs/dbraw/zinc/15/08/97/613150897.db2.gz FDRFJDARBOVXKP-SNPRPXQTSA-N 1 2 290.367 0.585 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000847309471 613156991 /nfs/dbraw/zinc/15/69/91/613156991.db2.gz NYSMEVKYVRPFPV-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000847309471 613156993 /nfs/dbraw/zinc/15/69/93/613156993.db2.gz NYSMEVKYVRPFPV-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cnn(CC)n2)CC1 ZINC000981103780 613160010 /nfs/dbraw/zinc/16/00/10/613160010.db2.gz IPZLQSJZCHUTKV-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnn(CC)n2)CC1 ZINC000981103780 613160012 /nfs/dbraw/zinc/16/00/12/613160012.db2.gz IPZLQSJZCHUTKV-UHFFFAOYSA-N 1 2 261.329 0.079 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000981950914 613160325 /nfs/dbraw/zinc/16/03/25/613160325.db2.gz LBEONVYTPPAWGU-UHFFFAOYSA-N 1 2 289.383 0.814 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000981950914 613160326 /nfs/dbraw/zinc/16/03/26/613160326.db2.gz LBEONVYTPPAWGU-UHFFFAOYSA-N 1 2 289.383 0.814 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000891608081 613165093 /nfs/dbraw/zinc/16/50/93/613165093.db2.gz WZUZISZDJLMAJJ-CQSZACIVSA-N 1 2 285.347 0.839 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000891608081 613165095 /nfs/dbraw/zinc/16/50/95/613165095.db2.gz WZUZISZDJLMAJJ-CQSZACIVSA-N 1 2 285.347 0.839 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000854727530 613168513 /nfs/dbraw/zinc/16/85/13/613168513.db2.gz LDXYGEPCKCODKA-OAHLLOKOSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC000923567147 613174600 /nfs/dbraw/zinc/17/46/00/613174600.db2.gz QJFFIMLJQWUABO-SNVBAGLBSA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC000923567147 613174601 /nfs/dbraw/zinc/17/46/01/613174601.db2.gz QJFFIMLJQWUABO-SNVBAGLBSA-N 1 2 275.308 0.206 20 30 CCEDLO C#CCN1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000923558153 613182637 /nfs/dbraw/zinc/18/26/37/613182637.db2.gz WOFYUCHKPFFRIE-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[S@](=O)CC)C1 ZINC000884153106 613185844 /nfs/dbraw/zinc/18/58/44/613185844.db2.gz CNAHZGVANYUNJH-HXPMCKFVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@](=O)CC)C1 ZINC000884153106 613185846 /nfs/dbraw/zinc/18/58/46/613185846.db2.gz CNAHZGVANYUNJH-HXPMCKFVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnc(C3CC3)o2)C1 ZINC000902728948 613192434 /nfs/dbraw/zinc/19/24/34/613192434.db2.gz CRDGWJNFHYEBML-NSHDSACASA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnc(C3CC3)o2)C1 ZINC000902728948 613192437 /nfs/dbraw/zinc/19/24/37/613192437.db2.gz CRDGWJNFHYEBML-NSHDSACASA-N 1 2 274.324 0.774 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCCC2)C1 ZINC000885513645 613193069 /nfs/dbraw/zinc/19/30/69/613193069.db2.gz BDUKVLKGVRDTAK-ZDUSSCGKSA-N 1 2 285.413 0.404 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCCCC2)C1 ZINC000885513645 613193071 /nfs/dbraw/zinc/19/30/71/613193071.db2.gz BDUKVLKGVRDTAK-ZDUSSCGKSA-N 1 2 285.413 0.404 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)CC2CC2)C1 ZINC000885511375 613193199 /nfs/dbraw/zinc/19/31/99/613193199.db2.gz GWQTULZTBOVAHM-ZDUSSCGKSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)CC2CC2)C1 ZINC000885511375 613193201 /nfs/dbraw/zinc/19/32/01/613193201.db2.gz GWQTULZTBOVAHM-ZDUSSCGKSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000855326717 613202012 /nfs/dbraw/zinc/20/20/12/613202012.db2.gz RCIUQGOZNJKXJE-TUAOUCFPSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000855326717 613202013 /nfs/dbraw/zinc/20/20/13/613202013.db2.gz RCIUQGOZNJKXJE-TUAOUCFPSA-N 1 2 273.340 0.498 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC)n2CC=C)CC1 ZINC000800779744 613209744 /nfs/dbraw/zinc/20/97/44/613209744.db2.gz XUHBEERRJNOLRL-UHFFFAOYSA-N 1 2 275.356 0.366 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCNC2=O)C1 ZINC000950560191 613294699 /nfs/dbraw/zinc/29/46/99/613294699.db2.gz NUZWFMQKBFPFSM-CYBMUJFWSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000957461317 613294716 /nfs/dbraw/zinc/29/47/16/613294716.db2.gz MMWZSLFGFSGLHG-ZDUSSCGKSA-N 1 2 294.399 0.638 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC000950335898 613319658 /nfs/dbraw/zinc/31/96/58/613319658.db2.gz PQHKPCXSCNCNFS-AWEZNQCLSA-N 1 2 265.357 0.375 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC000949513011 613321739 /nfs/dbraw/zinc/32/17/39/613321739.db2.gz KUYYYHFOTXEOIR-UHFFFAOYSA-N 1 2 252.343 0.872 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000815101006 613325259 /nfs/dbraw/zinc/32/52/59/613325259.db2.gz ZMOUOXKGXZIYTD-LBPRGKRZSA-N 1 2 289.383 0.918 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000815101006 613325261 /nfs/dbraw/zinc/32/52/61/613325261.db2.gz ZMOUOXKGXZIYTD-LBPRGKRZSA-N 1 2 289.383 0.918 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000015447117 613327518 /nfs/dbraw/zinc/32/75/18/613327518.db2.gz OZEXGJVFKGXDJE-GFCCVEGCSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000015447117 613327520 /nfs/dbraw/zinc/32/75/20/613327520.db2.gz OZEXGJVFKGXDJE-GFCCVEGCSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)OCC)CC1 ZINC000015487518 613328813 /nfs/dbraw/zinc/32/88/13/613328813.db2.gz HCJRUVNRTOCVKW-UHFFFAOYSA-N 1 2 252.314 0.011 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000859892964 613329052 /nfs/dbraw/zinc/32/90/52/613329052.db2.gz NXJFGVCMWNXXRO-NSHDSACASA-N 1 2 260.297 0.069 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000859892964 613329053 /nfs/dbraw/zinc/32/90/53/613329053.db2.gz NXJFGVCMWNXXRO-NSHDSACASA-N 1 2 260.297 0.069 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccncc2C)CC1 ZINC000823432491 613329629 /nfs/dbraw/zinc/32/96/29/613329629.db2.gz HAQRSPWYZJBUMS-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C=C(C)CN[NH+]=Cc1cnc(N2CCN(C)CC2)nc1 ZINC000811650821 613347388 /nfs/dbraw/zinc/34/73/88/613347388.db2.gz RQQBNIIDJQGGGL-UHFFFAOYSA-N 1 2 274.372 0.728 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000849961510 613356746 /nfs/dbraw/zinc/35/67/46/613356746.db2.gz KSIOUJOGAHRMLT-TZMCWYRMSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336656 613357725 /nfs/dbraw/zinc/35/77/25/613357725.db2.gz RDOYJXAJOGANQP-MGPQQGTHSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000916704292 613358658 /nfs/dbraw/zinc/35/86/58/613358658.db2.gz IZYVHFTTWUZPLU-NSHDSACASA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OCC ZINC000916717487 613358839 /nfs/dbraw/zinc/35/88/39/613358839.db2.gz SMMSZPIEFQKHAR-JTQLQIEISA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000849964291 613359592 /nfs/dbraw/zinc/35/95/92/613359592.db2.gz JNROTXUKOZJZPM-OCCSQVGLSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000849964291 613359593 /nfs/dbraw/zinc/35/95/93/613359593.db2.gz JNROTXUKOZJZPM-OCCSQVGLSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CN(C(C)=O)C2)C1 ZINC000969570127 613371584 /nfs/dbraw/zinc/37/15/84/613371584.db2.gz UFMDWRQEGDNLCO-SNVBAGLBSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000969480808 613371612 /nfs/dbraw/zinc/37/16/12/613371612.db2.gz UPIDCEVLPOGIDK-MNOVXSKESA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981745180 613373726 /nfs/dbraw/zinc/37/37/26/613373726.db2.gz SIVGKVZJCBMPTN-NWDGAFQWSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000981745180 613373727 /nfs/dbraw/zinc/37/37/27/613373727.db2.gz SIVGKVZJCBMPTN-NWDGAFQWSA-N 1 2 299.802 0.785 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512305 613380135 /nfs/dbraw/zinc/38/01/35/613380135.db2.gz OGSWOMKZFARCCY-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512305 613380136 /nfs/dbraw/zinc/38/01/36/613380136.db2.gz OGSWOMKZFARCCY-CMPLNLGQSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncoc2C)C1 ZINC000957907029 613381402 /nfs/dbraw/zinc/38/14/02/613381402.db2.gz WDOHBQXBVUTIGX-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncoc2C)C1 ZINC000957907029 613381403 /nfs/dbraw/zinc/38/14/03/613381403.db2.gz WDOHBQXBVUTIGX-MNOVXSKESA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000878453479 613398763 /nfs/dbraw/zinc/39/87/63/613398763.db2.gz VEZYDGGNKONUOA-NSHDSACASA-N 1 2 263.297 0.658 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000878453479 613398766 /nfs/dbraw/zinc/39/87/66/613398766.db2.gz VEZYDGGNKONUOA-NSHDSACASA-N 1 2 263.297 0.658 20 30 CCEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000878255505 613411117 /nfs/dbraw/zinc/41/11/17/613411117.db2.gz QOUOKUQJUVWHQA-CWTRNNRKSA-N 1 2 288.413 0.100 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663891 613412456 /nfs/dbraw/zinc/41/24/56/613412456.db2.gz SPEFKYXDDKSUJZ-GHMZBOCLSA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663891 613412458 /nfs/dbraw/zinc/41/24/58/613412458.db2.gz SPEFKYXDDKSUJZ-GHMZBOCLSA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000878544367 613413388 /nfs/dbraw/zinc/41/33/88/613413388.db2.gz JHDUIWWDWATMBG-YRGRVCCFSA-N 1 2 269.341 0.984 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000878544367 613413392 /nfs/dbraw/zinc/41/33/92/613413392.db2.gz JHDUIWWDWATMBG-YRGRVCCFSA-N 1 2 269.341 0.984 20 30 CCEDLO C=C1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000892867939 613415115 /nfs/dbraw/zinc/41/51/15/613415115.db2.gz BFISCOXHWAOCPC-CQSZACIVSA-N 1 2 280.416 0.984 20 30 CCEDLO C=CCn1cc(C(=O)N2CC[NH+](CC(=C)C)CC2)nn1 ZINC000951559858 613426235 /nfs/dbraw/zinc/42/62/35/613426235.db2.gz RLXDURORRWOXHD-UHFFFAOYSA-N 1 2 275.356 0.798 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991844 613441781 /nfs/dbraw/zinc/44/17/81/613441781.db2.gz RVCQLYZTZPRFJU-LBPRGKRZSA-N 1 2 280.328 0.135 20 30 CCEDLO C=CCC1(O)CC[NH+](CN2C[C@@H](C(=O)OC)OC2=O)CC1 ZINC000884479292 613460010 /nfs/dbraw/zinc/46/00/10/613460010.db2.gz BYBAIRKPUXUGRH-NSHDSACASA-N 1 2 298.339 0.341 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896538955 613466184 /nfs/dbraw/zinc/46/61/84/613466184.db2.gz IJSZJIVMRJYXSH-CRWXNKLISA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896538955 613466186 /nfs/dbraw/zinc/46/61/86/613466186.db2.gz IJSZJIVMRJYXSH-CRWXNKLISA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838114943 613470726 /nfs/dbraw/zinc/47/07/26/613470726.db2.gz NQRBVRQZAHHKFJ-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838114943 613470727 /nfs/dbraw/zinc/47/07/27/613470727.db2.gz NQRBVRQZAHHKFJ-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](CC)CCO2)C1=O ZINC000924608371 613471870 /nfs/dbraw/zinc/47/18/70/613471870.db2.gz NPIJNKNXUSSTLF-OLZOCXBDSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC000924608371 613471872 /nfs/dbraw/zinc/47/18/72/613471872.db2.gz NPIJNKNXUSSTLF-OLZOCXBDSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935015387 613489425 /nfs/dbraw/zinc/48/94/25/613489425.db2.gz JASICBZUDPBSQF-CHWSQXEVSA-N 1 2 251.374 0.705 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870160196 613494616 /nfs/dbraw/zinc/49/46/16/613494616.db2.gz WHZPICZUZUQRQX-HNNXBMFYSA-N 1 2 290.363 0.886 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000957319822 613506828 /nfs/dbraw/zinc/50/68/28/613506828.db2.gz YXQAQPQFUZQXDM-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000957319822 613506829 /nfs/dbraw/zinc/50/68/29/613506829.db2.gz YXQAQPQFUZQXDM-GFCCVEGCSA-N 1 2 289.383 0.630 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC000951180892 613561924 /nfs/dbraw/zinc/56/19/24/613561924.db2.gz ZQLWOAMAVQEEHN-UHFFFAOYSA-N 1 2 288.395 0.829 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccnc(OC)c2)CC1 ZINC000950518190 613563878 /nfs/dbraw/zinc/56/38/78/613563878.db2.gz FBSUTBOWTXYLRE-UHFFFAOYSA-N 1 2 287.363 0.800 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC000957286815 613564047 /nfs/dbraw/zinc/56/40/47/613564047.db2.gz GXLFHDBZWZEIIA-UHFFFAOYSA-N 1 2 274.368 0.613 20 30 CCEDLO C=CCCONC(=O)CC[NH+]1CCN(CC)CC1 ZINC000856032678 613576152 /nfs/dbraw/zinc/57/61/52/613576152.db2.gz SFASDCSBZONJPL-UHFFFAOYSA-N 1 2 255.362 0.638 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3C)[C@@H]2C1 ZINC000977943152 613632419 /nfs/dbraw/zinc/63/24/19/613632419.db2.gz WJJJNNQWIHFMNK-ZSOGYDGISA-N 1 2 286.379 0.957 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3C)[C@@H]2C1 ZINC000977943152 613632421 /nfs/dbraw/zinc/63/24/21/613632421.db2.gz WJJJNNQWIHFMNK-ZSOGYDGISA-N 1 2 286.379 0.957 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(Cl)n2C)nn1 ZINC000880947062 613645354 /nfs/dbraw/zinc/64/53/54/613645354.db2.gz GRTOKEMMZBNMEE-UHFFFAOYSA-N 1 2 278.747 0.826 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931409690 613648088 /nfs/dbraw/zinc/64/80/88/613648088.db2.gz CTUVIIKSSNQYHT-KGLIPLIRSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931409690 613648089 /nfs/dbraw/zinc/64/80/89/613648089.db2.gz CTUVIIKSSNQYHT-KGLIPLIRSA-N 1 2 281.400 0.184 20 30 CCEDLO C=CC[N@@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801932020 613650585 /nfs/dbraw/zinc/65/05/85/613650585.db2.gz FTPOLDYGGQYFNV-RYUDHWBXSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801932020 613650586 /nfs/dbraw/zinc/65/05/86/613650586.db2.gz FTPOLDYGGQYFNV-RYUDHWBXSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000878242837 613650951 /nfs/dbraw/zinc/65/09/51/613650951.db2.gz WKLWNMKEEKAIDO-VXGBXAGGSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000878242837 613650954 /nfs/dbraw/zinc/65/09/54/613650954.db2.gz WKLWNMKEEKAIDO-VXGBXAGGSA-N 1 2 291.413 0.183 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000957120345 613653706 /nfs/dbraw/zinc/65/37/06/613653706.db2.gz ALSHRQONYNAUTM-ZDUSSCGKSA-N 1 2 294.399 0.638 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC000951551597 613654353 /nfs/dbraw/zinc/65/43/53/613654353.db2.gz ZGLFPVDTMSNPJH-GFCCVEGCSA-N 1 2 289.383 0.943 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(=O)n(C)cn2)C1 ZINC000950544146 613656395 /nfs/dbraw/zinc/65/63/95/613656395.db2.gz SGUCWACZFNNVRA-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823506707 613675833 /nfs/dbraw/zinc/67/58/33/613675833.db2.gz KQYSFXUSJAOVGW-GFCCVEGCSA-N 1 2 253.346 0.979 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC000948630462 613708052 /nfs/dbraw/zinc/70/80/52/613708052.db2.gz JNBMXXGZTWIMCS-UHFFFAOYSA-N 1 2 275.352 0.569 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000957311471 613713298 /nfs/dbraw/zinc/71/32/98/613713298.db2.gz LYQQLIMBKCGRIL-NSHDSACASA-N 1 2 275.356 0.240 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC000957906348 613715811 /nfs/dbraw/zinc/71/58/11/613715811.db2.gz QINQMLUTZJRJEU-UHFFFAOYSA-N 1 2 274.324 0.124 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC000952346863 613717350 /nfs/dbraw/zinc/71/73/50/613717350.db2.gz AINKDTRRBNWXMU-UHFFFAOYSA-N 1 2 288.351 0.984 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1 ZINC000972258880 613723723 /nfs/dbraw/zinc/72/37/23/613723723.db2.gz KKOJHGLPBUZNAF-HNNXBMFYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1 ZINC000972258880 613723724 /nfs/dbraw/zinc/72/37/24/613723724.db2.gz KKOJHGLPBUZNAF-HNNXBMFYSA-N 1 2 290.367 0.372 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972361875 613726003 /nfs/dbraw/zinc/72/60/03/613726003.db2.gz LLXHGABLUHCQNY-GOEBONIOSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CC3)C2)C1 ZINC000972361875 613726004 /nfs/dbraw/zinc/72/60/04/613726004.db2.gz LLXHGABLUHCQNY-GOEBONIOSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC3(C2)OCCO3)C1=O ZINC000799133452 613739264 /nfs/dbraw/zinc/73/92/64/613739264.db2.gz DBOLPZFNWJGSBK-LLVKDONJSA-N 1 2 252.314 0.222 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC3(C2)OCCO3)C1=O ZINC000799133452 613739266 /nfs/dbraw/zinc/73/92/66/613739266.db2.gz DBOLPZFNWJGSBK-LLVKDONJSA-N 1 2 252.314 0.222 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C1=O ZINC000798645121 613764096 /nfs/dbraw/zinc/76/40/96/613764096.db2.gz YVCZAARBNLGJDL-NWDGAFQWSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCN1CC[C@@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O ZINC000798645121 613764097 /nfs/dbraw/zinc/76/40/97/613764097.db2.gz YVCZAARBNLGJDL-NWDGAFQWSA-N 1 2 298.408 0.754 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000847099693 613776111 /nfs/dbraw/zinc/77/61/11/613776111.db2.gz ZZCQGIAXCGPDIL-JTQLQIEISA-N 1 2 262.313 0.198 20 30 CCEDLO C=CCNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210157 613857184 /nfs/dbraw/zinc/85/71/84/613857184.db2.gz JLHHGVQFNCJQPQ-CQSZACIVSA-N 1 2 299.440 0.252 20 30 CCEDLO C=CCNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210157 613857186 /nfs/dbraw/zinc/85/71/86/613857186.db2.gz JLHHGVQFNCJQPQ-CQSZACIVSA-N 1 2 299.440 0.252 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](OC)C1 ZINC000884088431 613877585 /nfs/dbraw/zinc/87/75/85/613877585.db2.gz JNQJSZDBTHRQOY-MNOVXSKESA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(F)(F)CC1 ZINC000884436198 613877649 /nfs/dbraw/zinc/87/76/49/613877649.db2.gz YJZCIZPHANVNDN-VIFPVBQESA-N 1 2 276.283 0.691 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000884412861 613877727 /nfs/dbraw/zinc/87/77/27/613877727.db2.gz CFEDFFQVDXQIRS-DCAQKATOSA-N 1 2 252.314 0.301 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)C(C)C ZINC000884104996 613878065 /nfs/dbraw/zinc/87/80/65/613878065.db2.gz AOYLSFXYUJAXJZ-JTQLQIEISA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000884368863 613878364 /nfs/dbraw/zinc/87/83/64/613878364.db2.gz LFUMOYCMWZDQBF-AVGNSLFASA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCONC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838715892 613883994 /nfs/dbraw/zinc/88/39/94/613883994.db2.gz WHHINLGPFRENHO-PHIMTYICSA-N 1 2 255.318 0.266 20 30 CCEDLO C=CCONC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838715892 613883995 /nfs/dbraw/zinc/88/39/95/613883995.db2.gz WHHINLGPFRENHO-PHIMTYICSA-N 1 2 255.318 0.266 20 30 CCEDLO C=CCONC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922766930 613884198 /nfs/dbraw/zinc/88/41/98/613884198.db2.gz LLANOZWPJSJSRN-NSHDSACASA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)CNc1cccc[nH+]1 ZINC000907308884 613885028 /nfs/dbraw/zinc/88/50/28/613885028.db2.gz RGPRCTOJTIQNCO-UHFFFAOYSA-N 1 2 283.353 0.211 20 30 CCEDLO CC(C)C[C@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865112866 614210132 /nfs/dbraw/zinc/21/01/32/614210132.db2.gz DMCTYJBETMYXBV-DHCBQETCSA-N 1 2 265.357 0.929 20 30 CCEDLO CC(C)N(C(=O)[C@H](C)O[NH+]=C(N)CCO)C(C)C ZINC000121320700 614248341 /nfs/dbraw/zinc/24/83/41/614248341.db2.gz BCNMDLQRLHCHFE-JTQLQIEISA-N 1 2 259.350 0.692 20 30 CCEDLO CCC[C@@H](C#N)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865082695 614971123 /nfs/dbraw/zinc/97/11/23/614971123.db2.gz VPNWKPUYMQSBPC-FHMRSRPSSA-N 1 2 251.330 0.683 20 30 CCEDLO CCNc1ccccc1C=[NH+]NC(=S)NCC(N)=O ZINC000872350830 615139957 /nfs/dbraw/zinc/13/99/57/615139957.db2.gz WEWKBNZVHFAOFK-UHFFFAOYSA-N 1 2 279.369 0.402 20 30 CCEDLO CCOC(=O)C[C@H](O)C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000859325130 615214552 /nfs/dbraw/zinc/21/45/52/615214552.db2.gz RTNWQYKFDITKHS-NSHDSACASA-N 1 2 298.339 0.079 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000882763816 615259764 /nfs/dbraw/zinc/25/97/64/615259764.db2.gz AVFXSFAVLMULCT-SECBINFHSA-N 1 2 269.326 0.524 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000882763816 615259766 /nfs/dbraw/zinc/25/97/66/615259766.db2.gz AVFXSFAVLMULCT-SECBINFHSA-N 1 2 269.326 0.524 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000815052862 615307691 /nfs/dbraw/zinc/30/76/91/615307691.db2.gz FAIMPWDFLKFMJC-SRVKXCTJSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000815052862 615307692 /nfs/dbraw/zinc/30/76/92/615307692.db2.gz FAIMPWDFLKFMJC-SRVKXCTJSA-N 1 2 252.314 0.943 20 30 CCEDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000886468660 615563205 /nfs/dbraw/zinc/56/32/05/615563205.db2.gz LWVMGPGAUQHXMB-GFCCVEGCSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000886468660 615563206 /nfs/dbraw/zinc/56/32/06/615563206.db2.gz LWVMGPGAUQHXMB-GFCCVEGCSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[C@@H]1C[NH+](CC(=O)NCCC#N)C[C@@H](CC)O1 ZINC000817280860 615563389 /nfs/dbraw/zinc/56/33/89/615563389.db2.gz MXKCCLRXKUZKCB-VXGBXAGGSA-N 1 2 253.346 0.906 20 30 CCEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000830569836 615993467 /nfs/dbraw/zinc/99/34/67/615993467.db2.gz WJDIGGGNXDEXEP-LLVKDONJSA-N 1 2 282.344 0.179 20 30 CCEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000830569836 615993469 /nfs/dbraw/zinc/99/34/69/615993469.db2.gz WJDIGGGNXDEXEP-LLVKDONJSA-N 1 2 282.344 0.179 20 30 CCEDLO C[N@H+](CC(=O)N1CCNC1=O)Cc1cc(C#N)cs1 ZINC000933778019 616044134 /nfs/dbraw/zinc/04/41/34/616044134.db2.gz IIPKAWCEJQWKHU-UHFFFAOYSA-N 1 2 278.337 0.603 20 30 CCEDLO C[N@@H+](CC(=O)N1CCNC1=O)Cc1cc(C#N)cs1 ZINC000933778019 616044135 /nfs/dbraw/zinc/04/41/35/616044135.db2.gz IIPKAWCEJQWKHU-UHFFFAOYSA-N 1 2 278.337 0.603 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(N)=O)c1 ZINC000844946681 616067929 /nfs/dbraw/zinc/06/79/29/616067929.db2.gz SYMCHZUQJZXHEC-LBPRGKRZSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(N)=O)c1 ZINC000844946681 616067930 /nfs/dbraw/zinc/06/79/30/616067930.db2.gz SYMCHZUQJZXHEC-LBPRGKRZSA-N 1 2 277.324 0.371 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(C#N)s1 ZINC000877826550 616121449 /nfs/dbraw/zinc/12/14/49/616121449.db2.gz DWSDNBQZDMFXEK-UHFFFAOYSA-N 1 2 259.356 0.340 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(C#N)s1 ZINC000877826550 616121450 /nfs/dbraw/zinc/12/14/50/616121450.db2.gz DWSDNBQZDMFXEK-UHFFFAOYSA-N 1 2 259.356 0.340 20 30 CCEDLO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000809576015 616149179 /nfs/dbraw/zinc/14/91/79/616149179.db2.gz ORDVFJIXUFEZDW-ZIAGYGMSSA-N 1 2 273.336 0.998 20 30 CCEDLO C[N@@H+](C[C@H](O)CC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000809576015 616149180 /nfs/dbraw/zinc/14/91/80/616149180.db2.gz ORDVFJIXUFEZDW-ZIAGYGMSSA-N 1 2 273.336 0.998 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC1 ZINC000906601065 616165959 /nfs/dbraw/zinc/16/59/59/616165959.db2.gz PHANFIZIAVIFCP-ZMLRMANQSA-N 1 2 261.325 0.316 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2cccs2)[C@H](CO)C1 ZINC000912737196 616220260 /nfs/dbraw/zinc/22/02/60/616220260.db2.gz HXJHLSIRUYNUDD-NSHDSACASA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2cccs2)[C@H](CO)C1 ZINC000912737196 616220261 /nfs/dbraw/zinc/22/02/61/616220261.db2.gz HXJHLSIRUYNUDD-NSHDSACASA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@@H+]1CCN(C(=O)C#Cc2cccs2)[C@@H](CO)C1 ZINC000912737195 616220295 /nfs/dbraw/zinc/22/02/95/616220295.db2.gz HXJHLSIRUYNUDD-LLVKDONJSA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@H+]1CCN(C(=O)C#Cc2cccs2)[C@@H](CO)C1 ZINC000912737195 616220296 /nfs/dbraw/zinc/22/02/96/616220296.db2.gz HXJHLSIRUYNUDD-LLVKDONJSA-N 1 2 264.350 0.235 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1CO ZINC000894883728 616247494 /nfs/dbraw/zinc/24/74/94/616247494.db2.gz AIHWLJJPQLFRSX-JTQLQIEISA-N 1 2 266.732 0.719 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1CO ZINC000894883728 616247495 /nfs/dbraw/zinc/24/74/95/616247495.db2.gz AIHWLJJPQLFRSX-JTQLQIEISA-N 1 2 266.732 0.719 20 30 CCEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000826709639 616516080 /nfs/dbraw/zinc/51/60/80/616516080.db2.gz NNVAWWGDLRBBMH-ZDUSSCGKSA-N 1 2 296.334 0.453 20 30 CCEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000826709639 616516085 /nfs/dbraw/zinc/51/60/85/616516085.db2.gz NNVAWWGDLRBBMH-ZDUSSCGKSA-N 1 2 296.334 0.453 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940068 616528213 /nfs/dbraw/zinc/52/82/13/616528213.db2.gz MGIGYPIABIDHTN-NEPJUHHUSA-N 1 2 257.355 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940068 616528217 /nfs/dbraw/zinc/52/82/17/616528217.db2.gz MGIGYPIABIDHTN-NEPJUHHUSA-N 1 2 257.355 0.003 20 30 CCEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCCC#N ZINC000842961721 616653617 /nfs/dbraw/zinc/65/36/17/616653617.db2.gz AFTIWWYJXMPCMU-STQMWFEESA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCCC#N ZINC000842961721 616653621 /nfs/dbraw/zinc/65/36/21/616653621.db2.gz AFTIWWYJXMPCMU-STQMWFEESA-N 1 2 284.356 0.959 20 30 CCEDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840184015 616758672 /nfs/dbraw/zinc/75/86/72/616758672.db2.gz JAPKRFSBCFQDBF-OAHLLOKOSA-N 1 2 289.335 0.953 20 30 CCEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840184015 616758675 /nfs/dbraw/zinc/75/86/75/616758675.db2.gz JAPKRFSBCFQDBF-OAHLLOKOSA-N 1 2 289.335 0.953 20 30 CCEDLO CO[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283645 616773252 /nfs/dbraw/zinc/77/32/52/616773252.db2.gz CRNPNEMAMRWZJV-RYUDHWBXSA-N 1 2 254.330 0.736 20 30 CCEDLO CO[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886283645 616773255 /nfs/dbraw/zinc/77/32/55/616773255.db2.gz CRNPNEMAMRWZJV-RYUDHWBXSA-N 1 2 254.330 0.736 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCO[C@H](C)C#N)O1 ZINC000933203337 616958354 /nfs/dbraw/zinc/95/83/54/616958354.db2.gz YCTHLBDOWAPSCL-CBBWQLFWSA-N 1 2 298.383 0.810 20 30 CCEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCO[C@H](C)C#N)O1 ZINC000933203337 616958358 /nfs/dbraw/zinc/95/83/58/616958358.db2.gz YCTHLBDOWAPSCL-CBBWQLFWSA-N 1 2 298.383 0.810 20 30 CCEDLO COCCN(CC#N)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909562173 616973412 /nfs/dbraw/zinc/97/34/12/616973412.db2.gz JYJJISLNNHQKPA-ACCUITESSA-N 1 2 281.356 0.263 20 30 CCEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000967942001 616979100 /nfs/dbraw/zinc/97/91/00/616979100.db2.gz CFELIALAQRVGNS-NXEZZACHSA-N 1 2 293.327 0.066 20 30 CCEDLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)O ZINC000895744170 617019207 /nfs/dbraw/zinc/01/92/07/617019207.db2.gz WYGIFUMVGQZURV-JJOYANBFSA-N 1 2 254.330 0.971 20 30 CCEDLO COCC[N@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801935665 617023723 /nfs/dbraw/zinc/02/37/23/617023723.db2.gz CAKIVMMJEPQRMJ-NEPJUHHUSA-N 1 2 290.385 0.051 20 30 CCEDLO COCC[N@@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801935665 617023726 /nfs/dbraw/zinc/02/37/26/617023726.db2.gz CAKIVMMJEPQRMJ-NEPJUHHUSA-N 1 2 290.385 0.051 20 30 CCEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000179921614 625351042 /nfs/dbraw/zinc/35/10/42/625351042.db2.gz MOOLUXMKGJFTID-JTQLQIEISA-N 1 2 264.329 0.828 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269710 622739427 /nfs/dbraw/zinc/73/94/27/622739427.db2.gz QQDCTKHKQVHVQK-ZFWWWQNUSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269710 622739435 /nfs/dbraw/zinc/73/94/35/622739435.db2.gz QQDCTKHKQVHVQK-ZFWWWQNUSA-N 1 2 264.369 0.969 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934577555 622764747 /nfs/dbraw/zinc/76/47/47/622764747.db2.gz QNJBWFKUSJJUKS-BFHYXJOUSA-N 1 2 264.300 0.996 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934577555 622764758 /nfs/dbraw/zinc/76/47/58/622764758.db2.gz QNJBWFKUSJJUKS-BFHYXJOUSA-N 1 2 264.300 0.996 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333674 622768585 /nfs/dbraw/zinc/76/85/85/622768585.db2.gz RRTIBCUPMWAWTB-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333674 622768592 /nfs/dbraw/zinc/76/85/92/622768592.db2.gz RRTIBCUPMWAWTB-INIZCTEOSA-N 1 2 287.363 0.873 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248609339 623080090 /nfs/dbraw/zinc/08/00/90/623080090.db2.gz WQHONBITYRIBQZ-SRVKXCTJSA-N 1 2 253.346 0.417 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024633294 623404521 /nfs/dbraw/zinc/40/45/21/623404521.db2.gz HUSKQMDDUOUGJC-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001024633294 623404524 /nfs/dbraw/zinc/40/45/24/623404524.db2.gz HUSKQMDDUOUGJC-LBPRGKRZSA-N 1 2 290.367 0.733 20 30 CCEDLO C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000970407713 624684085 /nfs/dbraw/zinc/68/40/85/624684085.db2.gz NTXJRMCIFRIWAW-JQWIXIFHSA-N 1 2 287.367 0.790 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000306963982 624837550 /nfs/dbraw/zinc/83/75/50/624837550.db2.gz IKPJBVVMEZWODW-RKDXNWHRSA-N 1 2 250.136 0.570 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000306963982 624837552 /nfs/dbraw/zinc/83/75/52/624837552.db2.gz IKPJBVVMEZWODW-RKDXNWHRSA-N 1 2 250.136 0.570 20 30 CCEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)ncn1 ZINC000980850418 631068017 /nfs/dbraw/zinc/06/80/17/631068017.db2.gz TZDUCFSMXZVGGJ-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)ncn1 ZINC000980850418 631068024 /nfs/dbraw/zinc/06/80/24/631068024.db2.gz TZDUCFSMXZVGGJ-GFCCVEGCSA-N 1 2 287.367 0.979 20 30 CCEDLO N#CCN[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981550626 631288046 /nfs/dbraw/zinc/28/80/46/631288046.db2.gz PVMFNOSRZCDNCR-RYUDHWBXSA-N 1 2 261.329 0.424 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cs1 ZINC000893904322 631482612 /nfs/dbraw/zinc/48/26/12/631482612.db2.gz DNJFKNWOFNSJHK-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cs1 ZINC000893904322 631482620 /nfs/dbraw/zinc/48/26/20/631482620.db2.gz DNJFKNWOFNSJHK-SNVBAGLBSA-N 1 2 271.367 0.483 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000894309639 631704274 /nfs/dbraw/zinc/70/42/74/631704274.db2.gz QYJJZGCXAPBGEK-RISCZKNCSA-N 1 2 289.339 0.522 20 30 CCEDLO Cc1nn(C)c(C[NH2+][C@@H]2CCCN(O)C2=O)c1Cl ZINC000895196227 632019703 /nfs/dbraw/zinc/01/97/03/632019703.db2.gz JBHGVXJDSXFETB-MRVPVSSYSA-N 1 2 272.736 0.852 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ncnn2C)CC1 ZINC000985339390 632440336 /nfs/dbraw/zinc/44/03/36/632440336.db2.gz UGEKMGJJLCXXPV-LLVKDONJSA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2ncnn2C)CC1 ZINC000985339390 632440339 /nfs/dbraw/zinc/44/03/39/632440339.db2.gz UGEKMGJJLCXXPV-LLVKDONJSA-N 1 2 290.371 0.398 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007502517 650081300 /nfs/dbraw/zinc/08/13/00/650081300.db2.gz LCMWUHWNOCKHHX-LBPRGKRZSA-N 1 2 290.367 0.354 20 30 CCEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007502517 650081303 /nfs/dbraw/zinc/08/13/03/650081303.db2.gz LCMWUHWNOCKHHX-LBPRGKRZSA-N 1 2 290.367 0.354 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)o1 ZINC000986273942 632737728 /nfs/dbraw/zinc/73/77/28/632737728.db2.gz CVNGFAZBECMTCF-MFKMUULPSA-N 1 2 288.351 0.870 20 30 CCEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986627022 632783915 /nfs/dbraw/zinc/78/39/15/632783915.db2.gz DIBIXRJPJYUEHS-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008447817 650115473 /nfs/dbraw/zinc/11/54/73/650115473.db2.gz HYLOKAWXIZEFST-SNVBAGLBSA-N 1 2 264.304 0.766 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008447817 650115475 /nfs/dbraw/zinc/11/54/75/650115475.db2.gz HYLOKAWXIZEFST-SNVBAGLBSA-N 1 2 264.304 0.766 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(CC#N)C1 ZINC001008582725 650120570 /nfs/dbraw/zinc/12/05/70/650120570.db2.gz NYJWRRICLBCPGC-YNEHKIRRSA-N 1 2 287.367 0.628 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010697623 650254286 /nfs/dbraw/zinc/25/42/86/650254286.db2.gz WKAZLRXIPIOREX-NEPJUHHUSA-N 1 2 287.791 0.260 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001010697623 650254291 /nfs/dbraw/zinc/25/42/91/650254291.db2.gz WKAZLRXIPIOREX-NEPJUHHUSA-N 1 2 287.791 0.260 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001010789170 650261635 /nfs/dbraw/zinc/26/16/35/650261635.db2.gz MIEAWJXKZNZLJD-LLVKDONJSA-N 1 2 282.775 0.906 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001010789170 650261636 /nfs/dbraw/zinc/26/16/36/650261636.db2.gz MIEAWJXKZNZLJD-LLVKDONJSA-N 1 2 282.775 0.906 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456096 636812283 /nfs/dbraw/zinc/81/22/83/636812283.db2.gz GQCPORRIIZYZMP-JQWIXIFHSA-N 1 2 261.329 0.443 20 30 CCEDLO N#Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1 ZINC000913445490 636816476 /nfs/dbraw/zinc/81/64/76/636816476.db2.gz QYLLTSOIXAHGFP-OAHLLOKOSA-N 1 2 295.346 0.997 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nc(C)c3ccccc3c2=O)CC1 ZINC000044756716 636865650 /nfs/dbraw/zinc/86/56/50/636865650.db2.gz MBZFKGRHVMKEEW-UHFFFAOYSA-N 1 2 296.374 0.913 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001007165476 638205199 /nfs/dbraw/zinc/20/51/99/638205199.db2.gz HCIMXEPJPXKCLX-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001007165476 638205207 /nfs/dbraw/zinc/20/52/07/638205207.db2.gz HCIMXEPJPXKCLX-LLVKDONJSA-N 1 2 277.324 0.901 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996735263 638830581 /nfs/dbraw/zinc/83/05/81/638830581.db2.gz AWLIRBCLTJXPGI-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996996175 638847601 /nfs/dbraw/zinc/84/76/01/638847601.db2.gz OFKAJCFBFOSFDA-LBPRGKRZSA-N 1 2 287.367 0.934 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000243596 639063469 /nfs/dbraw/zinc/06/34/69/639063469.db2.gz DKKHZNZPZMPYGH-YNEHKIRRSA-N 1 2 287.367 0.628 20 30 CCEDLO N#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001001500782 639308633 /nfs/dbraw/zinc/30/86/33/639308633.db2.gz FTQWDSLHBRRWEI-CHWSQXEVSA-N 1 2 287.367 0.865 20 30 CCEDLO N#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001001500782 639308642 /nfs/dbraw/zinc/30/86/42/639308642.db2.gz FTQWDSLHBRRWEI-CHWSQXEVSA-N 1 2 287.367 0.865 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001003191307 639515184 /nfs/dbraw/zinc/51/51/84/639515184.db2.gz XRAISGCERNYACX-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001006065155 640107170 /nfs/dbraw/zinc/10/71/70/640107170.db2.gz NMNXDSAAROXBRL-UHFFFAOYSA-N 1 2 261.329 0.399 20 30 CCEDLO C[C@H](C#N)OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000801924568 640674752 /nfs/dbraw/zinc/67/47/52/640674752.db2.gz QQCPPWLEWBZBSM-CQSZACIVSA-N 1 2 280.372 0.463 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657286 650602538 /nfs/dbraw/zinc/60/25/38/650602538.db2.gz NXVIDBJIMQHKHU-VIFPVBQESA-N 1 2 284.747 0.682 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001015657286 650602539 /nfs/dbraw/zinc/60/25/39/650602539.db2.gz NXVIDBJIMQHKHU-VIFPVBQESA-N 1 2 284.747 0.682 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015692260 650610616 /nfs/dbraw/zinc/61/06/16/650610616.db2.gz ZLBCZRXIFZPQED-WDEREUQCSA-N 1 2 273.340 0.544 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)NCCNc1ccc(C#N)cn1 ZINC000811863429 640991370 /nfs/dbraw/zinc/99/13/70/640991370.db2.gz ULXHXCZIHHKVDF-UHFFFAOYSA-N 1 2 299.338 0.598 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835023 650636435 /nfs/dbraw/zinc/63/64/35/650636435.db2.gz PKNQURVGXNNKNT-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835023 650636438 /nfs/dbraw/zinc/63/64/38/650636438.db2.gz PKNQURVGXNNKNT-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001016261074 650708316 /nfs/dbraw/zinc/70/83/16/650708316.db2.gz VSKNOXQQQZVOHM-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001016261074 650708317 /nfs/dbraw/zinc/70/83/17/650708317.db2.gz VSKNOXQQQZVOHM-ZDUSSCGKSA-N 1 2 260.341 0.405 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827988465 642057745 /nfs/dbraw/zinc/05/77/45/642057745.db2.gz RGHMWYPWSXTRBZ-LBPRGKRZSA-N 1 2 289.335 0.315 20 30 CCEDLO COc1cc(C#N)ccc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827988465 642057754 /nfs/dbraw/zinc/05/77/54/642057754.db2.gz RGHMWYPWSXTRBZ-LBPRGKRZSA-N 1 2 289.335 0.315 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347410 650721115 /nfs/dbraw/zinc/72/11/15/650721115.db2.gz ISRUIARMSGGRIQ-LLVKDONJSA-N 1 2 291.376 0.674 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001016347410 650721118 /nfs/dbraw/zinc/72/11/18/650721118.db2.gz ISRUIARMSGGRIQ-LLVKDONJSA-N 1 2 291.376 0.674 20 30 CCEDLO C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016393985 650724060 /nfs/dbraw/zinc/72/40/60/650724060.db2.gz IGWGXSKRKAHJLF-LLVKDONJSA-N 1 2 268.748 0.826 20 30 CCEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(F)cc1 ZINC000121386497 642182394 /nfs/dbraw/zinc/18/23/94/642182394.db2.gz KLBWVWZJCXLERX-VIFPVBQESA-N 1 2 283.303 0.674 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000834498996 642587732 /nfs/dbraw/zinc/58/77/32/642587732.db2.gz CXDSWTUYKBRKPD-VXGBXAGGSA-N 1 2 282.307 0.313 20 30 CCEDLO Cc1cc(NC(=O)CO[NH+]=C(N)CCO)n(C(C)(C)C)n1 ZINC000121410354 642666218 /nfs/dbraw/zinc/66/62/18/642666218.db2.gz HNNJKPPYKGNBKL-UHFFFAOYSA-N 1 2 297.359 0.556 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000837715936 642766723 /nfs/dbraw/zinc/76/67/23/642766723.db2.gz GQQQCQSOGZAQMO-UHFFFAOYSA-N 1 2 297.314 0.859 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC001017331772 650794847 /nfs/dbraw/zinc/79/48/47/650794847.db2.gz PRHROUCNHLYISS-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC001017331772 650794852 /nfs/dbraw/zinc/79/48/52/650794852.db2.gz PRHROUCNHLYISS-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001017478646 650804914 /nfs/dbraw/zinc/80/49/14/650804914.db2.gz QVMAEXOXOUSUNB-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001017478646 650804915 /nfs/dbraw/zinc/80/49/15/650804915.db2.gz QVMAEXOXOUSUNB-HZSPNIEDSA-N 1 2 262.353 0.864 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cncn1 ZINC001017491171 650805390 /nfs/dbraw/zinc/80/53/90/650805390.db2.gz OAAVKNFMLNHUOV-MELADBBJSA-N 1 2 287.367 0.538 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cncn1 ZINC001017491171 650805392 /nfs/dbraw/zinc/80/53/92/650805392.db2.gz OAAVKNFMLNHUOV-MELADBBJSA-N 1 2 287.367 0.538 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017546817 650810283 /nfs/dbraw/zinc/81/02/83/650810283.db2.gz UMHMGGABBFGQPD-WRWGMCAJSA-N 1 2 265.313 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017546817 650810284 /nfs/dbraw/zinc/81/02/84/650810284.db2.gz UMHMGGABBFGQPD-WRWGMCAJSA-N 1 2 265.313 0.513 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001017671683 650817340 /nfs/dbraw/zinc/81/73/40/650817340.db2.gz YHQVPAGCZPQSRH-MCIONIFRSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cccnc2n1 ZINC001017706680 650818675 /nfs/dbraw/zinc/81/86/75/650818675.db2.gz QYVUOJDYYUDGIC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cccnc2n1 ZINC001017706680 650818676 /nfs/dbraw/zinc/81/86/76/650818676.db2.gz QYVUOJDYYUDGIC-BETUJISGSA-N 1 2 295.346 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nnnn2c1 ZINC001017732654 650819469 /nfs/dbraw/zinc/81/94/69/650819469.db2.gz XLKOSFKQHXIPPC-BETUJISGSA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nnnn2c1 ZINC001017732654 650819472 /nfs/dbraw/zinc/81/94/72/650819472.db2.gz XLKOSFKQHXIPPC-BETUJISGSA-N 1 2 296.334 0.046 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cncnc1 ZINC001017844470 650826180 /nfs/dbraw/zinc/82/61/80/650826180.db2.gz QYLWWDFBAYAMKW-YUELXQCFSA-N 1 2 284.363 0.889 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cncnc1 ZINC001017844470 650826182 /nfs/dbraw/zinc/82/61/82/650826182.db2.gz QYLWWDFBAYAMKW-YUELXQCFSA-N 1 2 284.363 0.889 20 30 CCEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)n1cc[nH+]c1 ZINC000845443689 643316397 /nfs/dbraw/zinc/31/63/97/643316397.db2.gz ZQWZEJOBCFZNRY-ONGXEEELSA-N 1 2 260.297 0.822 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001018010457 650839725 /nfs/dbraw/zinc/83/97/25/650839725.db2.gz UZOLFDYNEFXCLD-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001018010457 650839727 /nfs/dbraw/zinc/83/97/27/650839727.db2.gz UZOLFDYNEFXCLD-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033519 643480786 /nfs/dbraw/zinc/48/07/86/643480786.db2.gz XYMBNBCGZNTAMW-QWRGUYRKSA-N 1 2 274.372 0.926 20 30 CCEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033519 643480789 /nfs/dbraw/zinc/48/07/89/643480789.db2.gz XYMBNBCGZNTAMW-QWRGUYRKSA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001018102109 650843741 /nfs/dbraw/zinc/84/37/41/650843741.db2.gz JKVSTDJEHJQGCN-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001018102109 650843742 /nfs/dbraw/zinc/84/37/42/650843742.db2.gz JKVSTDJEHJQGCN-MQYQWHSLSA-N 1 2 262.353 0.720 20 30 CCEDLO Cc1ncc(CO)c(C=NNCCCn2cc[nH+]c2)c1O ZINC000848419567 643634692 /nfs/dbraw/zinc/63/46/92/643634692.db2.gz XMVJBPNYWWRIDF-UHFFFAOYSA-N 1 2 289.339 0.798 20 30 CCEDLO C#CC[N@@H+](C[C@H](OC)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000851839168 643889827 /nfs/dbraw/zinc/88/98/27/643889827.db2.gz HJGPMRGZBXBNNJ-KBPBESRZSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@H](OC)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000851839168 643889830 /nfs/dbraw/zinc/88/98/30/643889830.db2.gz HJGPMRGZBXBNNJ-KBPBESRZSA-N 1 2 285.409 0.924 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1nnc2n1CCCCC2 ZINC000851929731 643898819 /nfs/dbraw/zinc/89/88/19/643898819.db2.gz RAUIQSGSXDTKAF-LLVKDONJSA-N 1 2 290.371 0.685 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)cn1 ZINC000852000612 643913514 /nfs/dbraw/zinc/91/35/14/643913514.db2.gz XKOLVKPXWRAIRO-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000854596396 644232410 /nfs/dbraw/zinc/23/24/10/644232410.db2.gz ILEFACBWVAZNAD-LBPRGKRZSA-N 1 2 297.318 0.899 20 30 CCEDLO C#CC[N@@H+](Cc1cc(=O)n2[nH]c(N)nc2n1)C1CCCC1 ZINC000856728143 644430477 /nfs/dbraw/zinc/43/04/77/644430477.db2.gz KYBNVVQUUNKLDW-UHFFFAOYSA-N 1 2 286.339 0.378 20 30 CCEDLO C#CC[N@H+](Cc1cc(=O)n2[nH]c(N)nc2n1)C1CCCC1 ZINC000856728143 644430483 /nfs/dbraw/zinc/43/04/83/644430483.db2.gz KYBNVVQUUNKLDW-UHFFFAOYSA-N 1 2 286.339 0.378 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976776 644587107 /nfs/dbraw/zinc/58/71/07/644587107.db2.gz LMAUZKFPRPGOSG-SNVBAGLBSA-N 1 2 255.281 0.968 20 30 CCEDLO N#Cc1c[nH]c2cc(C(=O)N3CC[NH+](CCO)CC3)ccc12 ZINC000864814576 645290738 /nfs/dbraw/zinc/29/07/38/645290738.db2.gz LAYBJYRBEZTUQY-UHFFFAOYSA-N 1 2 298.346 0.790 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CCCOC1 ZINC000864885440 645300937 /nfs/dbraw/zinc/30/09/37/645300937.db2.gz XXKPIXGLOUNSMV-YPMHNXCESA-N 1 2 262.313 0.708 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865189850 645336117 /nfs/dbraw/zinc/33/61/17/645336117.db2.gz MZQNZAAAWZDZET-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO N#C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCOC1 ZINC000868263378 645740436 /nfs/dbraw/zinc/74/04/36/645740436.db2.gz NOURSTZBGTXMJW-BXUZGUMPSA-N 1 2 274.324 0.634 20 30 CCEDLO C=CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000878094374 646868202 /nfs/dbraw/zinc/86/82/02/646868202.db2.gz SNRAYGYATMKPOI-UHFFFAOYSA-N 1 2 259.313 0.816 20 30 CCEDLO N#CC1(C[C@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)CCC1 ZINC000886033459 647894356 /nfs/dbraw/zinc/89/43/56/647894356.db2.gz URRYMCPSRZOLMT-ZDUSSCGKSA-N 1 2 277.368 0.738 20 30 CCEDLO N#CC1(C[C@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)CCC1 ZINC000886033459 647894357 /nfs/dbraw/zinc/89/43/57/647894357.db2.gz URRYMCPSRZOLMT-ZDUSSCGKSA-N 1 2 277.368 0.738 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCC(F)(F)F ZINC000137644208 647965262 /nfs/dbraw/zinc/96/52/62/647965262.db2.gz FBJRRTZRMRMASV-UHFFFAOYSA-N 1 2 290.245 0.591 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677421 647997456 /nfs/dbraw/zinc/99/74/56/647997456.db2.gz WXVIIUQYZKSOHA-LBPRGKRZSA-N 1 2 273.340 0.686 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677421 647997465 /nfs/dbraw/zinc/99/74/65/647997465.db2.gz WXVIIUQYZKSOHA-LBPRGKRZSA-N 1 2 273.340 0.686 20 30 CCEDLO C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+]1CCSCC1 ZINC000887681310 648139872 /nfs/dbraw/zinc/13/98/72/648139872.db2.gz XZXFFKGZWIMLLC-AAEUAGOBSA-N 1 2 283.397 0.565 20 30 CCEDLO C=CC[N@@H+](CCC#N)CC1CN(S(C)(=O)=O)C1 ZINC000930541197 648873484 /nfs/dbraw/zinc/87/34/84/648873484.db2.gz LRBWKBIJCFTJHF-UHFFFAOYSA-N 1 2 257.359 0.279 20 30 CCEDLO C=CC[N@H+](CCC#N)CC1CN(S(C)(=O)=O)C1 ZINC000930541197 648873485 /nfs/dbraw/zinc/87/34/85/648873485.db2.gz LRBWKBIJCFTJHF-UHFFFAOYSA-N 1 2 257.359 0.279 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000930576491 648876726 /nfs/dbraw/zinc/87/67/26/648876726.db2.gz KXUYGDWGJIJJEX-CABCVRRESA-N 1 2 287.363 0.694 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000930576491 648876728 /nfs/dbraw/zinc/87/67/28/648876728.db2.gz KXUYGDWGJIJJEX-CABCVRRESA-N 1 2 287.363 0.694 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817897 648909608 /nfs/dbraw/zinc/90/96/08/648909608.db2.gz AHFQZAZXYYDMRO-IUODEOHRSA-N 1 2 295.383 0.363 20 30 CCEDLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC(C)(C)O1 ZINC000930817897 648909612 /nfs/dbraw/zinc/90/96/12/648909612.db2.gz AHFQZAZXYYDMRO-IUODEOHRSA-N 1 2 295.383 0.363 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000932158543 649053947 /nfs/dbraw/zinc/05/39/47/649053947.db2.gz KQMHLRHWOQULJB-SNVBAGLBSA-N 1 2 250.302 0.164 20 30 CCEDLO N#C[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000932158543 649053949 /nfs/dbraw/zinc/05/39/49/649053949.db2.gz KQMHLRHWOQULJB-SNVBAGLBSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@H]1CC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)=NO1 ZINC000935137548 649212604 /nfs/dbraw/zinc/21/26/04/649212604.db2.gz ZKJBMLBFQISQPM-TUAOUCFPSA-N 1 2 297.355 0.105 20 30 CCEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1CC#N ZINC000948086838 649362412 /nfs/dbraw/zinc/36/24/12/649362412.db2.gz UNUGBTCSNHZPKS-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305059152 649840838 /nfs/dbraw/zinc/84/08/38/649840838.db2.gz DVSKBPAXTYSQNJ-BXUZGUMPSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305059152 649840839 /nfs/dbraw/zinc/84/08/39/649840839.db2.gz DVSKBPAXTYSQNJ-BXUZGUMPSA-N 1 2 296.392 0.957 20 30 CCEDLO C=CC[NH+]1CCN(c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165031710 721866757 /nfs/dbraw/zinc/86/67/57/721866757.db2.gz RHUUELUZQRCSMF-UHFFFAOYSA-N 1 2 279.300 0.701 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571107 805625997 /nfs/dbraw/zinc/62/59/97/805625997.db2.gz BMKXWAUFXNHWDY-GXTWGEPZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571107 805626001 /nfs/dbraw/zinc/62/60/01/805626001.db2.gz BMKXWAUFXNHWDY-GXTWGEPZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230585716 805629337 /nfs/dbraw/zinc/62/93/37/805629337.db2.gz WLXICFFKJMVUKZ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230585716 805629340 /nfs/dbraw/zinc/62/93/40/805629340.db2.gz WLXICFFKJMVUKZ-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1CCC1 ZINC001266250273 790328949 /nfs/dbraw/zinc/32/89/49/790328949.db2.gz KWGAONQSOJFKJU-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1CCC1 ZINC001266250273 790328969 /nfs/dbraw/zinc/32/89/69/790328969.db2.gz KWGAONQSOJFKJU-UHFFFAOYSA-N 1 2 253.346 0.137 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001266265766 790357474 /nfs/dbraw/zinc/35/74/74/790357474.db2.gz LYWYYQAAKKGKCY-NHAGDIPZSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001266265766 790357486 /nfs/dbraw/zinc/35/74/86/790357486.db2.gz LYWYYQAAKKGKCY-NHAGDIPZSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCC[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001266277086 790383709 /nfs/dbraw/zinc/38/37/09/790383709.db2.gz NGCVDAFIUIMBBT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001266277086 790383719 /nfs/dbraw/zinc/38/37/19/790383719.db2.gz NGCVDAFIUIMBBT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001266277086 790383730 /nfs/dbraw/zinc/38/37/30/790383730.db2.gz NGCVDAFIUIMBBT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CCC[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001266277086 790383738 /nfs/dbraw/zinc/38/37/38/790383738.db2.gz NGCVDAFIUIMBBT-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001266281311 790391883 /nfs/dbraw/zinc/39/18/83/790391883.db2.gz LPNKFRIRHIQQHA-CABCVRRESA-N 1 2 293.411 0.169 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001039040404 790445860 /nfs/dbraw/zinc/44/58/60/790445860.db2.gz SGGXBIGQIGTWSQ-OCCSQVGLSA-N 1 2 288.322 0.953 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001039040404 790445868 /nfs/dbraw/zinc/44/58/68/790445868.db2.gz SGGXBIGQIGTWSQ-OCCSQVGLSA-N 1 2 288.322 0.953 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266298260 790457360 /nfs/dbraw/zinc/45/73/60/790457360.db2.gz ARVNYBUTDJVWEP-NSHDSACASA-N 1 2 277.324 0.386 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001266298260 790457365 /nfs/dbraw/zinc/45/73/65/790457365.db2.gz ARVNYBUTDJVWEP-NSHDSACASA-N 1 2 277.324 0.386 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CC(C)=C(C)C ZINC001266308961 790485162 /nfs/dbraw/zinc/48/51/62/790485162.db2.gz JHFHNAUFZBNNIT-UHFFFAOYSA-N 1 2 279.384 0.530 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CC(C)=C(C)C ZINC001266308961 790485168 /nfs/dbraw/zinc/48/51/68/790485168.db2.gz JHFHNAUFZBNNIT-UHFFFAOYSA-N 1 2 279.384 0.530 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001266320028 790498972 /nfs/dbraw/zinc/49/89/72/790498972.db2.gz XHACWMKLODSCNR-CYBMUJFWSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001266320028 790498978 /nfs/dbraw/zinc/49/89/78/790498978.db2.gz XHACWMKLODSCNR-CYBMUJFWSA-N 1 2 291.351 0.713 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001266341847 790543959 /nfs/dbraw/zinc/54/39/59/790543959.db2.gz DGJDIUWBFXPBJK-UHFFFAOYSA-N 1 2 256.737 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001266341847 790543965 /nfs/dbraw/zinc/54/39/65/790543965.db2.gz DGJDIUWBFXPBJK-UHFFFAOYSA-N 1 2 256.737 0.753 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084905 790583507 /nfs/dbraw/zinc/58/35/07/790583507.db2.gz OAZXULNNLKKGIB-ZDUSSCGKSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001039084905 790583512 /nfs/dbraw/zinc/58/35/12/790583512.db2.gz OAZXULNNLKKGIB-ZDUSSCGKSA-N 1 2 274.368 0.810 20 30 CCEDLO C#CCC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCCCC1 ZINC001266364821 790597942 /nfs/dbraw/zinc/59/79/42/790597942.db2.gz CPSORDTUKXKQOI-UHFFFAOYSA-N 1 2 279.384 0.494 20 30 CCEDLO C#CCC1(C(=O)NCC[N@H+](C)CC(N)=O)CCCCC1 ZINC001266364821 790597946 /nfs/dbraw/zinc/59/79/46/790597946.db2.gz CPSORDTUKXKQOI-UHFFFAOYSA-N 1 2 279.384 0.494 20 30 CCEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125370015 790801946 /nfs/dbraw/zinc/80/19/46/790801946.db2.gz GBKVOFDWTWLUBC-QMMMGPOBSA-N 1 2 288.311 0.658 20 30 CCEDLO C=CCOCC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001266657321 791089356 /nfs/dbraw/zinc/08/93/56/791089356.db2.gz UXKCIHDTQIWIRS-UHFFFAOYSA-N 1 2 270.358 0.289 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC)n3)[C@H]2C1 ZINC001083214890 791134255 /nfs/dbraw/zinc/13/42/55/791134255.db2.gz VXUSGBOMHZIFCY-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC)n3)[C@H]2C1 ZINC001083214890 791134265 /nfs/dbraw/zinc/13/42/65/791134265.db2.gz VXUSGBOMHZIFCY-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001230875739 805681902 /nfs/dbraw/zinc/68/19/02/805681902.db2.gz AKOHKCOVBFBTQG-NSHDSACASA-N 1 2 294.380 0.334 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001230875739 805681909 /nfs/dbraw/zinc/68/19/09/805681909.db2.gz AKOHKCOVBFBTQG-NSHDSACASA-N 1 2 294.380 0.334 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001231122856 805735683 /nfs/dbraw/zinc/73/56/83/805735683.db2.gz OREGUJDSHDMZOR-WDEREUQCSA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001231122856 805735686 /nfs/dbraw/zinc/73/56/86/805735686.db2.gz OREGUJDSHDMZOR-WDEREUQCSA-N 1 2 296.371 0.069 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001231225971 805755819 /nfs/dbraw/zinc/75/58/19/805755819.db2.gz LDIMACSJPISGCA-ZDUSSCGKSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncn1C ZINC001231225971 805755820 /nfs/dbraw/zinc/75/58/20/805755820.db2.gz LDIMACSJPISGCA-ZDUSSCGKSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncn1C ZINC001231225971 805755821 /nfs/dbraw/zinc/75/58/21/805755821.db2.gz LDIMACSJPISGCA-ZDUSSCGKSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001231240442 805758157 /nfs/dbraw/zinc/75/81/57/805758157.db2.gz KGTUVGSNDALASL-STQMWFEESA-N 1 2 297.399 0.198 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001231240442 805758160 /nfs/dbraw/zinc/75/81/60/805758160.db2.gz KGTUVGSNDALASL-STQMWFEESA-N 1 2 297.399 0.198 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001231245759 805759110 /nfs/dbraw/zinc/75/91/10/805759110.db2.gz AXCOFLJDKFZHLI-RYUDHWBXSA-N 1 2 275.356 0.612 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nn1C ZINC001231357392 805780796 /nfs/dbraw/zinc/78/07/96/805780796.db2.gz JWESTLCZPHIJQI-UHSPONAGSA-N 1 2 293.323 0.198 20 30 CCEDLO COC(=O)c1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nn1C ZINC001231357392 805780803 /nfs/dbraw/zinc/78/08/03/805780803.db2.gz JWESTLCZPHIJQI-UHSPONAGSA-N 1 2 293.323 0.198 20 30 CCEDLO CCCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231368888 805784398 /nfs/dbraw/zinc/78/43/98/805784398.db2.gz PNTIBHSNPTVPOP-HNNXBMFYSA-N 1 2 296.411 0.986 20 30 CCEDLO CCCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231368888 805784401 /nfs/dbraw/zinc/78/44/01/805784401.db2.gz PNTIBHSNPTVPOP-HNNXBMFYSA-N 1 2 296.411 0.986 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001231412972 805797532 /nfs/dbraw/zinc/79/75/32/805797532.db2.gz LAVFRSYFBLQDRY-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001231412972 805797538 /nfs/dbraw/zinc/79/75/38/805797538.db2.gz LAVFRSYFBLQDRY-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)COC)C1 ZINC001277570397 805858286 /nfs/dbraw/zinc/85/82/86/805858286.db2.gz GSPXBSNSUGJJLA-GFCCVEGCSA-N 1 2 270.373 0.614 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3nncn3CC2)c1 ZINC001232676077 805969339 /nfs/dbraw/zinc/96/93/39/805969339.db2.gz YDBREVWLIRPQPK-UHFFFAOYSA-N 1 2 269.308 0.914 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3nncn3CC2)c1 ZINC001232676077 805969346 /nfs/dbraw/zinc/96/93/46/805969346.db2.gz YDBREVWLIRPQPK-UHFFFAOYSA-N 1 2 269.308 0.914 20 30 CCEDLO N#Cc1nccnc1N1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233372131 806050236 /nfs/dbraw/zinc/05/02/36/806050236.db2.gz ZLHLKVLOJSMVMX-UHFFFAOYSA-N 1 2 295.350 0.648 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCN1CC#N ZINC001266855660 791293800 /nfs/dbraw/zinc/29/38/00/791293800.db2.gz DTKCFQNYZWJQHV-LBPRGKRZSA-N 1 2 275.356 0.755 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1O ZINC001233383610 806054220 /nfs/dbraw/zinc/05/42/20/806054220.db2.gz OGJFWXDTRAEVCV-UHFFFAOYSA-N 1 2 289.335 0.554 20 30 CCEDLO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001266937152 791373689 /nfs/dbraw/zinc/37/36/89/791373689.db2.gz CWLFDKPCZROWNY-QWRGUYRKSA-N 1 2 296.396 0.733 20 30 CCEDLO C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266948762 791384258 /nfs/dbraw/zinc/38/42/58/791384258.db2.gz KZVYNIBRVIEUNH-GHMZBOCLSA-N 1 2 261.329 0.063 20 30 CCEDLO COCCN(CCC#N)CC[N@@H+]1CCOC[C@H]1C ZINC001167558620 791538275 /nfs/dbraw/zinc/53/82/75/791538275.db2.gz QYGWQQULODCOJJ-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO COCCN(CCC#N)CC[N@H+]1CCOC[C@H]1C ZINC001167558620 791538281 /nfs/dbraw/zinc/53/82/81/791538281.db2.gz QYGWQQULODCOJJ-CYBMUJFWSA-N 1 2 255.362 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](CC)O1 ZINC001267197359 791659928 /nfs/dbraw/zinc/65/99/28/791659928.db2.gz LFZOXWNZTNJCQD-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](CC)O1 ZINC001267197359 791659936 /nfs/dbraw/zinc/65/99/36/791659936.db2.gz LFZOXWNZTNJCQD-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233752596 806114657 /nfs/dbraw/zinc/11/46/57/806114657.db2.gz STFVIJONCFRSMU-RYUDHWBXSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233752596 806114659 /nfs/dbraw/zinc/11/46/59/806114659.db2.gz STFVIJONCFRSMU-RYUDHWBXSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233967314 806159467 /nfs/dbraw/zinc/15/94/67/806159467.db2.gz YNDWKWXBHMGHOF-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233967314 806159470 /nfs/dbraw/zinc/15/94/70/806159470.db2.gz YNDWKWXBHMGHOF-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4nc(N)nn4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234016671 806168546 /nfs/dbraw/zinc/16/85/46/806168546.db2.gz WCPBFWIZRJIYLG-NJFCNUMCSA-N 1 2 287.323 0.303 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4nc(N)nn4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234016671 806168549 /nfs/dbraw/zinc/16/85/49/806168549.db2.gz WCPBFWIZRJIYLG-NJFCNUMCSA-N 1 2 287.323 0.303 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234089693 806182184 /nfs/dbraw/zinc/18/21/84/806182184.db2.gz VTIIHRQYGULAHO-GFCCVEGCSA-N 1 2 276.340 0.206 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234089693 806182188 /nfs/dbraw/zinc/18/21/88/806182188.db2.gz VTIIHRQYGULAHO-GFCCVEGCSA-N 1 2 276.340 0.206 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(O)c3C(N)=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234147979 806190133 /nfs/dbraw/zinc/19/01/33/806190133.db2.gz AKDWTXNYSFHILG-KLXOBDOZSA-N 1 2 290.319 0.482 20 30 CCEDLO Cn1ncc(C[N@H+](C)CCCNC(=O)CSCC#N)n1 ZINC001234146260 806191106 /nfs/dbraw/zinc/19/11/06/806191106.db2.gz GMJWBIQVRZWEIL-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO Cn1ncc(C[N@@H+](C)CCCNC(=O)CSCC#N)n1 ZINC001234146260 806191109 /nfs/dbraw/zinc/19/11/09/806191109.db2.gz GMJWBIQVRZWEIL-UHFFFAOYSA-N 1 2 296.400 0.010 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCCNC(=O)CSCC#N)o1 ZINC001234146823 806191195 /nfs/dbraw/zinc/19/11/95/806191195.db2.gz RRDNFVLQUUANTO-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCCNC(=O)CSCC#N)o1 ZINC001234146823 806191198 /nfs/dbraw/zinc/19/11/98/806191198.db2.gz RRDNFVLQUUANTO-UHFFFAOYSA-N 1 2 297.384 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235158504 806380859 /nfs/dbraw/zinc/38/08/59/806380859.db2.gz KRNJVXXJPIUJDN-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCOC)CC1 ZINC001235158504 806380866 /nfs/dbraw/zinc/38/08/66/806380866.db2.gz KRNJVXXJPIUJDN-CYBMUJFWSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCCO ZINC001235454641 806427139 /nfs/dbraw/zinc/42/71/39/806427139.db2.gz RMRKBVUOYRUFIE-ZDUSSCGKSA-N 1 2 280.372 0.689 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCCO ZINC001235454641 806427144 /nfs/dbraw/zinc/42/71/44/806427144.db2.gz RMRKBVUOYRUFIE-ZDUSSCGKSA-N 1 2 280.372 0.689 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1CNCC#N ZINC001277989899 806598606 /nfs/dbraw/zinc/59/86/06/806598606.db2.gz HZONMRXFOULGHC-CYBMUJFWSA-N 1 2 275.356 0.457 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CC)n2C)CC1 ZINC001121558148 799057330 /nfs/dbraw/zinc/05/73/30/799057330.db2.gz UBWPIGNOKYNIRB-LLVKDONJSA-N 1 2 263.345 0.014 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CCC1 ZINC001278148706 806719462 /nfs/dbraw/zinc/71/94/62/806719462.db2.gz ZGFYTWIELOXJLH-ZDUSSCGKSA-N 1 2 293.367 0.988 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CCO)n2CC(C)C)CC1 ZINC001122839728 799303288 /nfs/dbraw/zinc/30/32/88/799303288.db2.gz WTHQHGWJFVVLJR-UHFFFAOYSA-N 1 2 291.399 0.224 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001124894842 799644847 /nfs/dbraw/zinc/64/48/47/799644847.db2.gz BWYPPUUWNMIGAY-ZCFIWIBFSA-N 1 2 289.311 0.841 20 30 CCEDLO O=C1C=C2C[N@H+](CC3C(=O)N=CNC3=O)CC[C@@H]2S1 ZINC001140471235 799913982 /nfs/dbraw/zinc/91/39/82/799913982.db2.gz XSGZHWOAIOAECL-VIFPVBQESA-N 1 2 279.321 0.662 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cn1 ZINC001140544532 799922366 /nfs/dbraw/zinc/92/23/66/799922366.db2.gz SPCSCGFHGWIBIX-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cn1 ZINC001140544532 799922369 /nfs/dbraw/zinc/92/23/69/799922369.db2.gz SPCSCGFHGWIBIX-UHFFFAOYSA-N 1 2 283.291 0.713 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001140627374 799926787 /nfs/dbraw/zinc/92/67/87/799926787.db2.gz UMBHZJICXOWGMT-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C#CC[NH+]1CCN(Cc2nn(C)cc2Br)CC1 ZINC001141061272 799978743 /nfs/dbraw/zinc/97/87/43/799978743.db2.gz OFXFOOOFRUYCLB-UHFFFAOYSA-N 1 2 297.200 0.933 20 30 CCEDLO N#Cc1nc(N)c(NC(=O)[C@@H]2CC3CC[NH+]2CC3)nc1C#N ZINC001142626970 800140290 /nfs/dbraw/zinc/14/02/90/800140290.db2.gz ZXSGSVDKMRRLIH-NSHDSACASA-N 1 2 297.322 0.225 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3ncccc32)CC1 ZINC001149398886 800254896 /nfs/dbraw/zinc/25/48/96/800254896.db2.gz IYCUFZCCLZPPNM-UHFFFAOYSA-N 1 2 271.324 0.902 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000401846579 800313438 /nfs/dbraw/zinc/31/34/38/800313438.db2.gz JXXVFLQXSWLEBG-NSHDSACASA-N 1 2 254.334 0.214 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150246663 800325702 /nfs/dbraw/zinc/32/57/02/800325702.db2.gz GUPXWTKVCPCRAG-WFASDCNBSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150246663 800325707 /nfs/dbraw/zinc/32/57/07/800325707.db2.gz GUPXWTKVCPCRAG-WFASDCNBSA-N 1 2 297.399 0.281 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001206639667 800410933 /nfs/dbraw/zinc/41/09/33/800410933.db2.gz ARHKFBHFDLCAMK-MISXGVKJSA-N 1 2 289.383 0.825 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001206639667 800410938 /nfs/dbraw/zinc/41/09/38/800410938.db2.gz ARHKFBHFDLCAMK-MISXGVKJSA-N 1 2 289.383 0.825 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001153086266 800595119 /nfs/dbraw/zinc/59/51/19/800595119.db2.gz UOPLVLRHNAOJIX-UHFFFAOYSA-N 1 2 282.344 0.431 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)cnc2C#N)C[NH2+]1 ZINC001156242899 801138592 /nfs/dbraw/zinc/13/85/92/801138592.db2.gz NPPMXJSXDZOHFX-BQBZGAKWSA-N 1 2 281.703 0.317 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(OC)cc(C#N)n2)C[NH2+]1 ZINC001156248736 801139284 /nfs/dbraw/zinc/13/92/84/801139284.db2.gz HPLJUXHFCKNXMX-ONGXEEELSA-N 1 2 276.296 0.277 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3c(C)nccn23)CC1 ZINC001156410689 801162359 /nfs/dbraw/zinc/16/23/59/801162359.db2.gz KULMVLOGGQYURF-UHFFFAOYSA-N 1 2 286.339 0.377 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nccc(C#N)c1F ZINC001157772178 801478952 /nfs/dbraw/zinc/47/89/52/801478952.db2.gz DMPQRFOJBBQUKT-JTQLQIEISA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nccc(C#N)c1F ZINC001157772178 801478956 /nfs/dbraw/zinc/47/89/56/801478956.db2.gz DMPQRFOJBBQUKT-JTQLQIEISA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C)c2C#N)C[NH2+]1 ZINC001158253802 801603911 /nfs/dbraw/zinc/60/39/11/801603911.db2.gz CTJJFUFXBSXKES-KOLCDFICSA-N 1 2 260.297 0.577 20 30 CCEDLO C=CCNC(=O)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470323 801656421 /nfs/dbraw/zinc/65/64/21/801656421.db2.gz BNRDTZQKJIVVTC-VIFPVBQESA-N 1 2 299.268 0.285 20 30 CCEDLO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158470323 801656425 /nfs/dbraw/zinc/65/64/25/801656425.db2.gz BNRDTZQKJIVVTC-VIFPVBQESA-N 1 2 299.268 0.285 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(CC#N)ccn1 ZINC001159300269 801788740 /nfs/dbraw/zinc/78/87/40/801788740.db2.gz YPHQRSVXCJFSNX-UHFFFAOYSA-N 1 2 257.297 0.849 20 30 CCEDLO N#CCN1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160828694 802023881 /nfs/dbraw/zinc/02/38/81/802023881.db2.gz UAZNMEAKUHMEAB-UHFFFAOYSA-N 1 2 287.367 0.935 20 30 CCEDLO N#Cc1cnc(NS(=O)(=O)c2ccc(C[NH3+])cc2)nc1 ZINC001161747079 802213200 /nfs/dbraw/zinc/21/32/00/802213200.db2.gz YXNIGAZUMJZOTP-UHFFFAOYSA-N 1 2 289.320 0.608 20 30 CCEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173168 808325962 /nfs/dbraw/zinc/32/59/62/808325962.db2.gz WTWXULAJHIUMRH-GXTWGEPZSA-N 1 2 278.356 0.101 20 30 CCEDLO CC[C@@H](CC#N)[N@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173168 808325969 /nfs/dbraw/zinc/32/59/69/808325969.db2.gz WTWXULAJHIUMRH-GXTWGEPZSA-N 1 2 278.356 0.101 20 30 CCEDLO C=CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001259935391 808810146 /nfs/dbraw/zinc/81/01/46/808810146.db2.gz BVUVQUOCPDVVIM-CYBMUJFWSA-N 1 2 281.381 0.761 20 30 CCEDLO C=CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001259935391 808810148 /nfs/dbraw/zinc/81/01/48/808810148.db2.gz BVUVQUOCPDVVIM-CYBMUJFWSA-N 1 2 281.381 0.761 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1[nH]c2cc(=O)[nH]c-2cc1Cl ZINC001164652498 802775661 /nfs/dbraw/zinc/77/56/61/802775661.db2.gz RKAQVYVIECICAK-SSDOTTSWSA-N 1 2 277.715 0.531 20 30 CCEDLO COc1nc(Cl)nc(C)c1N1CC[NH2+]C[C@H]1C#N ZINC001164652967 802776820 /nfs/dbraw/zinc/77/68/20/802776820.db2.gz WNGCCHFCIVMSFB-MRVPVSSYSA-N 1 2 267.720 0.749 20 30 CCEDLO C[C@@H](NC(=O)C1(C)CCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276413013 803034013 /nfs/dbraw/zinc/03/40/13/803034013.db2.gz AEHGAQKDQVEMGS-LLVKDONJSA-N 1 2 292.383 0.253 20 30 CCEDLO CCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001268826411 813105356 /nfs/dbraw/zinc/10/53/56/813105356.db2.gz YZIOTBNPBQJPSA-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206076304 803202514 /nfs/dbraw/zinc/20/25/14/803202514.db2.gz RJXDIUXHRQVERC-QJPTWQEYSA-N 1 2 280.372 0.109 20 30 CCEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206076304 803202519 /nfs/dbraw/zinc/20/25/19/803202519.db2.gz RJXDIUXHRQVERC-QJPTWQEYSA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659096 803277268 /nfs/dbraw/zinc/27/72/68/803277268.db2.gz CUCZWJPSGJREEH-JHJVBQTASA-N 1 2 294.399 0.355 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659096 803277275 /nfs/dbraw/zinc/27/72/75/803277275.db2.gz CUCZWJPSGJREEH-JHJVBQTASA-N 1 2 294.399 0.355 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001208301941 803504425 /nfs/dbraw/zinc/50/44/25/803504425.db2.gz RZFVJXQRTRPWNA-IQJOONFLSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001208301941 803504430 /nfs/dbraw/zinc/50/44/30/803504430.db2.gz RZFVJXQRTRPWNA-IQJOONFLSA-N 1 2 287.791 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001208540982 803520931 /nfs/dbraw/zinc/52/09/31/803520931.db2.gz AKYADECVGZCKMJ-JLLWLGSASA-N 1 2 290.791 0.837 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001208540982 803520935 /nfs/dbraw/zinc/52/09/35/803520935.db2.gz AKYADECVGZCKMJ-JLLWLGSASA-N 1 2 290.791 0.837 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213230207 803686369 /nfs/dbraw/zinc/68/63/69/803686369.db2.gz JKMPQNOLCPLYMY-MGPQQGTHSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213230207 803686373 /nfs/dbraw/zinc/68/63/73/803686373.db2.gz JKMPQNOLCPLYMY-MGPQQGTHSA-N 1 2 280.368 0.250 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213358504 803691319 /nfs/dbraw/zinc/69/13/19/803691319.db2.gz FICUIFAAXXZNNP-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213358504 803691321 /nfs/dbraw/zinc/69/13/21/803691321.db2.gz FICUIFAAXXZNNP-ZIAGYGMSSA-N 1 2 296.411 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C(C)C)[C@H](OC)C1 ZINC001213380155 803692525 /nfs/dbraw/zinc/69/25/25/803692525.db2.gz LHELBXYBBMTPOA-UPJWGTAASA-N 1 2 268.357 0.106 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C(C)C)[C@H](OC)C1 ZINC001213380155 803692527 /nfs/dbraw/zinc/69/25/27/803692527.db2.gz LHELBXYBBMTPOA-UPJWGTAASA-N 1 2 268.357 0.106 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(C)co1 ZINC001272092264 814970805 /nfs/dbraw/zinc/97/08/05/814970805.db2.gz AQQTURGQAGVSAH-UHFFFAOYSA-N 1 2 293.367 0.894 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cc(C)co1 ZINC001272092264 814970810 /nfs/dbraw/zinc/97/08/10/814970810.db2.gz AQQTURGQAGVSAH-UHFFFAOYSA-N 1 2 293.367 0.894 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218590041 804024187 /nfs/dbraw/zinc/02/41/87/804024187.db2.gz ZEIXOPUKYHJVFG-JTQLQIEISA-N 1 2 264.676 0.295 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COCCC=C)[C@H]2C1 ZINC001219058670 804188905 /nfs/dbraw/zinc/18/89/05/804188905.db2.gz FRIAEUSUOGDSAK-UONOGXRCSA-N 1 2 278.352 0.124 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCCC=C)[C@H]2C1 ZINC001219058670 804188909 /nfs/dbraw/zinc/18/89/09/804188909.db2.gz FRIAEUSUOGDSAK-UONOGXRCSA-N 1 2 278.352 0.124 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219217980 804241367 /nfs/dbraw/zinc/24/13/67/804241367.db2.gz GMBNIQIWUWALIK-HXNLBGINSA-N 1 2 289.788 0.157 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219217980 804241374 /nfs/dbraw/zinc/24/13/74/804241374.db2.gz GMBNIQIWUWALIK-HXNLBGINSA-N 1 2 289.788 0.157 20 30 CCEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591683 804363647 /nfs/dbraw/zinc/36/36/47/804363647.db2.gz PZBGHAJCAINECN-XQQFMLRXSA-N 1 2 268.332 0.309 20 30 CCEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591683 804363650 /nfs/dbraw/zinc/36/36/50/804363650.db2.gz PZBGHAJCAINECN-XQQFMLRXSA-N 1 2 268.332 0.309 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220094762 804498226 /nfs/dbraw/zinc/49/82/26/804498226.db2.gz HTZDIKMMIUJUCQ-GUBZILKMSA-N 1 2 253.302 0.075 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149366 804514427 /nfs/dbraw/zinc/51/44/27/804514427.db2.gz JIDLFBISSRVXFT-YCPHGPKFSA-N 1 2 292.379 0.154 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149366 804514431 /nfs/dbraw/zinc/51/44/31/804514431.db2.gz JIDLFBISSRVXFT-YCPHGPKFSA-N 1 2 292.379 0.154 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221224131 804750062 /nfs/dbraw/zinc/75/00/62/804750062.db2.gz PNOIOSXVBYWFBI-VXGBXAGGSA-N 1 2 295.358 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221224131 804750066 /nfs/dbraw/zinc/75/00/66/804750066.db2.gz PNOIOSXVBYWFBI-VXGBXAGGSA-N 1 2 295.358 0.017 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001221473415 804820669 /nfs/dbraw/zinc/82/06/69/804820669.db2.gz AGLUZJIDQURCSC-KDHQJITESA-N 1 2 291.395 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001221473415 804820678 /nfs/dbraw/zinc/82/06/78/804820678.db2.gz AGLUZJIDQURCSC-KDHQJITESA-N 1 2 291.395 0.788 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)cn2)C[N@@H+]1C ZINC001222981641 804944659 /nfs/dbraw/zinc/94/46/59/804944659.db2.gz JVEMEBOPIZFPCL-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)cn2)C[N@H+]1C ZINC001222981641 804944663 /nfs/dbraw/zinc/94/46/63/804944663.db2.gz JVEMEBOPIZFPCL-OLZOCXBDSA-N 1 2 275.308 0.716 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CCC(C)C)NC(C)=O ZINC001276985288 805063029 /nfs/dbraw/zinc/06/30/29/805063029.db2.gz AVNLKZPRGAHVHW-CABCVRRESA-N 1 2 293.411 0.751 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCC(C)C)NC(C)=O ZINC001276985288 805063038 /nfs/dbraw/zinc/06/30/38/805063038.db2.gz AVNLKZPRGAHVHW-CABCVRRESA-N 1 2 293.411 0.751 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225666966 805149433 /nfs/dbraw/zinc/14/94/33/805149433.db2.gz MYWIFVSRDAFYEW-NTBMCGCHSA-N 1 2 293.279 0.687 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225666966 805149438 /nfs/dbraw/zinc/14/94/38/805149438.db2.gz MYWIFVSRDAFYEW-NTBMCGCHSA-N 1 2 293.279 0.687 20 30 CCEDLO COC(=O)c1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226148109 805197880 /nfs/dbraw/zinc/19/78/80/805197880.db2.gz ZRTRDFGTAZWXEJ-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO COC(=O)c1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226148109 805197888 /nfs/dbraw/zinc/19/78/88/805197888.db2.gz ZRTRDFGTAZWXEJ-ZQLNZSQWSA-N 1 2 291.307 0.254 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001226625978 805258270 /nfs/dbraw/zinc/25/82/70/805258270.db2.gz RKXJHIBDYXYAKA-LLVKDONJSA-N 1 2 275.356 0.660 20 30 CCEDLO Cc1nonc1C[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227233230 805333715 /nfs/dbraw/zinc/33/37/15/805333715.db2.gz QLIUAMAJJSRAFN-UHFFFAOYSA-N 1 2 288.351 0.872 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(C(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228268146 805425265 /nfs/dbraw/zinc/42/52/65/805425265.db2.gz ZUYCNPMNOCKOAI-KLLCGCCRSA-N 1 2 290.319 0.482 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(C(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228268146 805425270 /nfs/dbraw/zinc/42/52/70/805425270.db2.gz ZUYCNPMNOCKOAI-KLLCGCCRSA-N 1 2 290.319 0.482 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001229452646 805536626 /nfs/dbraw/zinc/53/66/26/805536626.db2.gz VLZYIHRSEQYOQU-UHSPONAGSA-N 1 2 293.279 0.219 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001229452646 805536633 /nfs/dbraw/zinc/53/66/33/805536633.db2.gz VLZYIHRSEQYOQU-UHSPONAGSA-N 1 2 293.279 0.219 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CC23CC3)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278427624 807134559 /nfs/dbraw/zinc/13/45/59/807134559.db2.gz XHRLRTPKWTXOTN-FZMZJTMJSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2CC23CC3)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278427624 807134561 /nfs/dbraw/zinc/13/45/61/807134561.db2.gz XHRLRTPKWTXOTN-FZMZJTMJSA-N 1 2 290.367 0.007 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](N[C@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232528 807194078 /nfs/dbraw/zinc/19/40/78/807194078.db2.gz XBRBZOVJMVHSKT-FRRDWIJNSA-N 1 2 277.299 0.883 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](NCc2ncc(C#N)s2)C[NH2+]1 ZINC001246346296 807228812 /nfs/dbraw/zinc/22/88/12/807228812.db2.gz DCLJDCHRXXZUBB-CBAPKCEASA-N 1 2 266.326 0.008 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC001278494642 807497571 /nfs/dbraw/zinc/49/75/71/807497571.db2.gz QFBAJSZMXILZNI-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC001278494642 807497576 /nfs/dbraw/zinc/49/75/76/807497576.db2.gz QFBAJSZMXILZNI-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1O ZINC001251028463 807647604 /nfs/dbraw/zinc/64/76/04/807647604.db2.gz FYMNLCTXUXHWLL-CYBMUJFWSA-N 1 2 277.324 0.369 20 30 CCEDLO N#CC1(NC[C@H](O)C[NH+]2CCOCC2)CCCC1 ZINC001251036486 807650949 /nfs/dbraw/zinc/65/09/49/807650949.db2.gz HTFOYXHVYXEZMX-LBPRGKRZSA-N 1 2 253.346 0.105 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001038490321 815155459 /nfs/dbraw/zinc/15/54/59/815155459.db2.gz XZTPCXQOOJOPNJ-KGLIPLIRSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001038490321 815155463 /nfs/dbraw/zinc/15/54/63/815155463.db2.gz XZTPCXQOOJOPNJ-KGLIPLIRSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252470841 807881564 /nfs/dbraw/zinc/88/15/64/807881564.db2.gz REDUAIWDYBHTIU-NAKRPEOUSA-N 1 2 281.274 0.954 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252470841 807881571 /nfs/dbraw/zinc/88/15/71/807881571.db2.gz REDUAIWDYBHTIU-NAKRPEOUSA-N 1 2 281.274 0.954 20 30 CCEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144585 808012062 /nfs/dbraw/zinc/01/20/62/808012062.db2.gz CRPRQUWETRRAJR-LSDHHAIUSA-N 1 2 290.363 0.807 20 30 CCEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253144585 808012065 /nfs/dbraw/zinc/01/20/65/808012065.db2.gz CRPRQUWETRRAJR-LSDHHAIUSA-N 1 2 290.363 0.807 20 30 CCEDLO C=C[C@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253583230 808090292 /nfs/dbraw/zinc/09/02/92/808090292.db2.gz ZDXCNXHJLREPII-LBPRGKRZSA-N 1 2 288.355 0.276 20 30 CCEDLO C=C[C@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253583230 808090301 /nfs/dbraw/zinc/09/03/01/808090301.db2.gz ZDXCNXHJLREPII-LBPRGKRZSA-N 1 2 288.355 0.276 20 30 CCEDLO CCc1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126881471 815181163 /nfs/dbraw/zinc/18/11/63/815181163.db2.gz UWPZTTSRPXPJLK-UHFFFAOYSA-N 1 2 262.313 0.251 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnns2)C1 ZINC001278766235 808194135 /nfs/dbraw/zinc/19/41/35/808194135.db2.gz IIJUDPRZKRTVKZ-ZDUSSCGKSA-N 1 2 296.396 0.557 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnns2)C1 ZINC001278766235 808194139 /nfs/dbraw/zinc/19/41/39/808194139.db2.gz IIJUDPRZKRTVKZ-ZDUSSCGKSA-N 1 2 296.396 0.557 20 30 CCEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126885676 815188641 /nfs/dbraw/zinc/18/86/41/815188641.db2.gz IZJPDYNYQTXMIR-SNVBAGLBSA-N 1 2 276.340 0.812 20 30 CCEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001254669587 808271843 /nfs/dbraw/zinc/27/18/43/808271843.db2.gz TVKOLTKWNNCLML-CVEARBPZSA-N 1 2 292.427 0.628 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254930187 808298301 /nfs/dbraw/zinc/29/83/01/808298301.db2.gz FBUAJOXHDOHVNW-LAEOZQHASA-N 1 2 257.355 0.805 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2sccc2C)C1 ZINC001278832952 808305615 /nfs/dbraw/zinc/30/56/15/808305615.db2.gz FVDFOYKGYSXHQH-UHFFFAOYSA-N 1 2 278.377 0.856 20 30 CCEDLO CC[C@H](CC#N)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001255158360 808324129 /nfs/dbraw/zinc/32/41/29/808324129.db2.gz JJYBEAJQVXPYOQ-ZYHUDNBSSA-N 1 2 264.329 0.786 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CC=CC2)C1 ZINC001278849190 808328270 /nfs/dbraw/zinc/32/82/70/808328270.db2.gz ZVOHBRHXFHXDFW-UHFFFAOYSA-N 1 2 250.342 0.692 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001076358561 815283729 /nfs/dbraw/zinc/28/37/29/815283729.db2.gz HZKHOLHDMNCPON-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001076358561 815283731 /nfs/dbraw/zinc/28/37/31/815283731.db2.gz HZKHOLHDMNCPON-CMPLNLGQSA-N 1 2 295.774 0.714 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001263816724 809576885 /nfs/dbraw/zinc/57/68/85/809576885.db2.gz HIRDUYDDEAZENK-ZFWWWQNUSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001263816724 809576892 /nfs/dbraw/zinc/57/68/92/809576892.db2.gz HIRDUYDDEAZENK-ZFWWWQNUSA-N 1 2 264.369 0.969 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001264140470 809634704 /nfs/dbraw/zinc/63/47/04/809634704.db2.gz HFKZXLXQNJRGOP-DOMZBBRYSA-N 1 2 286.379 0.913 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccn(C)n1 ZINC001264140470 809634706 /nfs/dbraw/zinc/63/47/06/809634706.db2.gz HFKZXLXQNJRGOP-DOMZBBRYSA-N 1 2 286.379 0.913 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1coc(C)n1 ZINC001264984998 809687157 /nfs/dbraw/zinc/68/71/57/809687157.db2.gz JSDBGZKNDPKLLV-GFCCVEGCSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1coc(C)n1 ZINC001264984998 809687161 /nfs/dbraw/zinc/68/71/61/809687161.db2.gz JSDBGZKNDPKLLV-GFCCVEGCSA-N 1 2 293.367 0.959 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265210669 809725012 /nfs/dbraw/zinc/72/50/12/809725012.db2.gz MAQINILCUZSERA-CHWSQXEVSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265210669 809725014 /nfs/dbraw/zinc/72/50/14/809725014.db2.gz MAQINILCUZSERA-CHWSQXEVSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001265264316 809734241 /nfs/dbraw/zinc/73/42/41/809734241.db2.gz LCVAKQVQIZMYAZ-GFCCVEGCSA-N 1 2 287.354 0.645 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266200068 809960980 /nfs/dbraw/zinc/96/09/80/809960980.db2.gz CZUQUUDSPMGVSJ-GFCCVEGCSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266200068 809960981 /nfs/dbraw/zinc/96/09/81/809960981.db2.gz CZUQUUDSPMGVSJ-GFCCVEGCSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001266221440 809967138 /nfs/dbraw/zinc/96/71/38/809967138.db2.gz AUUHCZUARLXIPS-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001266221440 809967140 /nfs/dbraw/zinc/96/71/40/809967140.db2.gz AUUHCZUARLXIPS-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001266218946 809967263 /nfs/dbraw/zinc/96/72/63/809967263.db2.gz TXAHNDJNDPNPFP-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266218946 809967269 /nfs/dbraw/zinc/96/72/69/809967269.db2.gz TXAHNDJNDPNPFP-VXGBXAGGSA-N 1 2 265.357 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076746142 815359556 /nfs/dbraw/zinc/35/95/56/815359556.db2.gz MXVMWXIWGBPXFD-RKDXNWHRSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001076746142 815359561 /nfs/dbraw/zinc/35/95/61/815359561.db2.gz MXVMWXIWGBPXFD-RKDXNWHRSA-N 1 2 268.700 0.341 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001076739925 815360285 /nfs/dbraw/zinc/36/02/85/815360285.db2.gz VRRWDPHWVOBKQO-GHMZBOCLSA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001076739925 815360290 /nfs/dbraw/zinc/36/02/90/815360290.db2.gz VRRWDPHWVOBKQO-GHMZBOCLSA-N 1 2 267.716 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001076802407 815378016 /nfs/dbraw/zinc/37/80/16/815378016.db2.gz HBMHMRAPHDZQBO-ZIAGYGMSSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001076802407 815378022 /nfs/dbraw/zinc/37/80/22/815378022.db2.gz HBMHMRAPHDZQBO-ZIAGYGMSSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001076992354 815427252 /nfs/dbraw/zinc/42/72/52/815427252.db2.gz QFMRVPVIBWYBMX-MGPQQGTHSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001076992354 815427256 /nfs/dbraw/zinc/42/72/56/815427256.db2.gz QFMRVPVIBWYBMX-MGPQQGTHSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038308782 811391460 /nfs/dbraw/zinc/39/14/60/811391460.db2.gz DACLRAPHFYCINQ-ZDUSSCGKSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038308782 811391465 /nfs/dbraw/zinc/39/14/65/811391465.db2.gz DACLRAPHFYCINQ-ZDUSSCGKSA-N 1 2 274.368 0.976 20 30 CCEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN(CCF)CC1 ZINC001267572558 811463487 /nfs/dbraw/zinc/46/34/87/811463487.db2.gz OTOOIAUHMDTYCC-UHFFFAOYSA-N 1 2 283.391 0.835 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2c[nH]nc2C)CC1 ZINC001267573580 811464292 /nfs/dbraw/zinc/46/42/92/811464292.db2.gz UYAHNMVOWIAZBJ-UHFFFAOYSA-N 1 2 289.383 0.041 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001077155256 815452045 /nfs/dbraw/zinc/45/20/45/815452045.db2.gz GZFMPKNTZSTZLK-CHWSQXEVSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001077155256 815452047 /nfs/dbraw/zinc/45/20/47/815452047.db2.gz GZFMPKNTZSTZLK-CHWSQXEVSA-N 1 2 296.330 0.038 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694866810 811521379 /nfs/dbraw/zinc/52/13/79/811521379.db2.gz HHNUPDSPVAMKPS-LSDHHAIUSA-N 1 2 276.336 0.675 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694866810 811521386 /nfs/dbraw/zinc/52/13/86/811521386.db2.gz HHNUPDSPVAMKPS-LSDHHAIUSA-N 1 2 276.336 0.675 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604360 811528861 /nfs/dbraw/zinc/52/88/61/811528861.db2.gz PNRIYTLFLIZWQP-LLVKDONJSA-N 1 2 299.338 0.504 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001077171846 815455085 /nfs/dbraw/zinc/45/50/85/815455085.db2.gz XMVFQARLPIVRFT-UKRRQHHQSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001077171846 815455089 /nfs/dbraw/zinc/45/50/89/815455089.db2.gz XMVFQARLPIVRFT-UKRRQHHQSA-N 1 2 298.346 0.051 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001267616799 811572252 /nfs/dbraw/zinc/57/22/52/811572252.db2.gz CSECUQQMAMYNJB-IUODEOHRSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001267616799 811572260 /nfs/dbraw/zinc/57/22/60/811572260.db2.gz CSECUQQMAMYNJB-IUODEOHRSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCNC(=O)c2ccco2)C1 ZINC001267668569 811633680 /nfs/dbraw/zinc/63/36/80/811633680.db2.gz OUFZAQWKSJEVFG-UHFFFAOYSA-N 1 2 289.335 0.223 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)COc2ccc(OC)cc2)C1 ZINC001267670594 811635318 /nfs/dbraw/zinc/63/53/18/811635318.db2.gz UGJTWHBBQGAHKH-UHFFFAOYSA-N 1 2 288.347 0.898 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001267704856 811667891 /nfs/dbraw/zinc/66/78/91/811667891.db2.gz YVNGISFLEHJZOY-SRVKXCTJSA-N 1 2 265.357 0.372 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001267704856 811667901 /nfs/dbraw/zinc/66/79/01/811667901.db2.gz YVNGISFLEHJZOY-SRVKXCTJSA-N 1 2 265.357 0.372 20 30 CCEDLO CCC(CC)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267756477 811751237 /nfs/dbraw/zinc/75/12/37/811751237.db2.gz GGEGNYDKVOBCRN-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC(CC)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267756477 811751243 /nfs/dbraw/zinc/75/12/43/811751243.db2.gz GGEGNYDKVOBCRN-ZDUSSCGKSA-N 1 2 294.399 0.595 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 ZINC001042310912 811844899 /nfs/dbraw/zinc/84/48/99/811844899.db2.gz ZRVCVIPPSPYJGO-OCCSQVGLSA-N 1 2 287.367 0.409 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)=C3CCC3)C2)nn1 ZINC001105233248 811868822 /nfs/dbraw/zinc/86/88/22/811868822.db2.gz PLWQZHUJCYVNNX-UHFFFAOYSA-N 1 2 299.378 0.885 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(F)F)C2)nn1 ZINC001105230519 811869280 /nfs/dbraw/zinc/86/92/80/811869280.db2.gz KHHXXDOEBYGMLQ-NSHDSACASA-N 1 2 295.293 0.039 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)CC)C2)nn1 ZINC001105299256 811899257 /nfs/dbraw/zinc/89/92/57/811899257.db2.gz NXJDLKIXLDHWMF-GFCCVEGCSA-N 1 2 279.319 0.132 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)C(C)C)C2)nn1 ZINC001105303258 811901403 /nfs/dbraw/zinc/90/14/03/811901403.db2.gz HVIHPWDUWLOUBA-CYBMUJFWSA-N 1 2 293.346 0.378 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C)nc2OC)C1 ZINC001042859221 815485956 /nfs/dbraw/zinc/48/59/56/815485956.db2.gz BEAZAZQASGMALH-UHFFFAOYSA-N 1 2 288.351 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001038684617 811961748 /nfs/dbraw/zinc/96/17/48/811961748.db2.gz OVZMBAQDEDWMJB-RYUDHWBXSA-N 1 2 272.352 0.653 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001038684617 811961752 /nfs/dbraw/zinc/96/17/52/811961752.db2.gz OVZMBAQDEDWMJB-RYUDHWBXSA-N 1 2 272.352 0.653 20 30 CCEDLO Cc1cnc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125988167 811968203 /nfs/dbraw/zinc/96/82/03/811968203.db2.gz OBVMNFVRUMKLBI-UHFFFAOYSA-N 1 2 273.296 0.702 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038716957 811991334 /nfs/dbraw/zinc/99/13/34/811991334.db2.gz KBQCVQRTGVDEEL-NSHDSACASA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038716957 811991339 /nfs/dbraw/zinc/99/13/39/811991339.db2.gz KBQCVQRTGVDEEL-NSHDSACASA-N 1 2 260.341 0.970 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001077383774 815489061 /nfs/dbraw/zinc/48/90/61/815489061.db2.gz UOIFYFGTOCCXSN-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001077383774 815489064 /nfs/dbraw/zinc/48/90/64/815489064.db2.gz UOIFYFGTOCCXSN-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO O=C(CC1CC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083307507 812017402 /nfs/dbraw/zinc/01/74/02/812017402.db2.gz JGPKRTWOPLWQGR-SJORKVTESA-N 1 2 298.386 1.000 20 30 CCEDLO O=C(CC1CC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083307507 812017408 /nfs/dbraw/zinc/01/74/08/812017408.db2.gz JGPKRTWOPLWQGR-SJORKVTESA-N 1 2 298.386 1.000 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001028079410 812255565 /nfs/dbraw/zinc/25/55/65/812255565.db2.gz HVARNTHAYZGSSC-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001028079410 812255570 /nfs/dbraw/zinc/25/55/70/812255570.db2.gz HVARNTHAYZGSSC-RYUDHWBXSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001268153256 812310307 /nfs/dbraw/zinc/31/03/07/812310307.db2.gz KCEPHJKDSBLOLZ-NSHDSACASA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001268153256 812310311 /nfs/dbraw/zinc/31/03/11/812310311.db2.gz KCEPHJKDSBLOLZ-NSHDSACASA-N 1 2 283.347 0.065 20 30 CCEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001126338733 812449142 /nfs/dbraw/zinc/44/91/42/812449142.db2.gz HLOJISHLMNTDFD-NSHDSACASA-N 1 2 294.355 0.786 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001077426103 815528431 /nfs/dbraw/zinc/52/84/31/815528431.db2.gz XAZNMWBAMUZKEW-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001077426103 815528433 /nfs/dbraw/zinc/52/84/33/815528433.db2.gz XAZNMWBAMUZKEW-HUUCEWRRSA-N 1 2 287.363 0.497 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001038995132 812542690 /nfs/dbraw/zinc/54/26/90/812542690.db2.gz GSLVUVXPQRHKLV-CQSZACIVSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001038995132 812542696 /nfs/dbraw/zinc/54/26/96/812542696.db2.gz GSLVUVXPQRHKLV-CQSZACIVSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2cncs2)C1 ZINC001268453618 812594219 /nfs/dbraw/zinc/59/42/19/812594219.db2.gz KHONJYWVBLGFSE-UHFFFAOYSA-N 1 2 263.366 0.899 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccs2)C1 ZINC001268495228 812705698 /nfs/dbraw/zinc/70/56/98/812705698.db2.gz LKIPXYGRXSVITI-UHFFFAOYSA-N 1 2 293.392 0.712 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001126377559 812808966 /nfs/dbraw/zinc/80/89/66/812808966.db2.gz CCLASIGWWDZQHJ-TVQRCGJNSA-N 1 2 282.344 0.472 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](O)C1 ZINC001083387350 812929394 /nfs/dbraw/zinc/92/93/94/812929394.db2.gz LOBVZSLADYNYRT-BJJPWKGXSA-N 1 2 262.353 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](O)C1 ZINC001083387350 812929398 /nfs/dbraw/zinc/92/93/98/812929398.db2.gz LOBVZSLADYNYRT-BJJPWKGXSA-N 1 2 262.353 0.217 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268701467 813019377 /nfs/dbraw/zinc/01/93/77/813019377.db2.gz TVRGJSREUJKRCT-GXTWGEPZSA-N 1 2 294.399 0.248 20 30 CCEDLO C[C@@H](CNCC#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268701467 813019382 /nfs/dbraw/zinc/01/93/82/813019382.db2.gz TVRGJSREUJKRCT-GXTWGEPZSA-N 1 2 294.399 0.248 20 30 CCEDLO C=CCOCC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001268704375 813023068 /nfs/dbraw/zinc/02/30/68/813023068.db2.gz ZTQQYCIWJMCNCF-UHFFFAOYSA-N 1 2 279.340 0.734 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOCC(F)F ZINC001268944125 813152815 /nfs/dbraw/zinc/15/28/15/813152815.db2.gz KSBYSXIPWDFUPZ-QWRGUYRKSA-N 1 2 272.295 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCOCC(F)F ZINC001268944125 813152819 /nfs/dbraw/zinc/15/28/19/813152819.db2.gz KSBYSXIPWDFUPZ-QWRGUYRKSA-N 1 2 272.295 0.577 20 30 CCEDLO C#CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001268942704 813153008 /nfs/dbraw/zinc/15/30/08/813153008.db2.gz YKYZFPNVHUEJRV-MRXNPFEDSA-N 1 2 287.363 0.841 20 30 CCEDLO C#CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001268942704 813153015 /nfs/dbraw/zinc/15/30/15/813153015.db2.gz YKYZFPNVHUEJRV-MRXNPFEDSA-N 1 2 287.363 0.841 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001127047130 815603726 /nfs/dbraw/zinc/60/37/26/815603726.db2.gz YLOZVKNGIQNAFP-LLVKDONJSA-N 1 2 294.355 0.266 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)O ZINC001269229156 813279061 /nfs/dbraw/zinc/27/90/61/813279061.db2.gz DWVMFLXXJRUYSF-NEPJUHHUSA-N 1 2 297.399 0.029 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)O ZINC001269229156 813279065 /nfs/dbraw/zinc/27/90/65/813279065.db2.gz DWVMFLXXJRUYSF-NEPJUHHUSA-N 1 2 297.399 0.029 20 30 CCEDLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCN(CC#N)C1 ZINC001269290846 813310699 /nfs/dbraw/zinc/31/06/99/813310699.db2.gz BVRJPDWXNVSHLL-ZDUSSCGKSA-N 1 2 275.356 0.409 20 30 CCEDLO C=CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000711137962 813339860 /nfs/dbraw/zinc/33/98/60/813339860.db2.gz UIYQTEFTQFKUCB-UHFFFAOYSA-N 1 2 267.354 0.719 20 30 CCEDLO Cc1cn2cc(NC(=O)C(=O)NCCC#N)ccc2[nH+]1 ZINC000427870792 813686772 /nfs/dbraw/zinc/68/67/72/813686772.db2.gz YOCBCVIWLMJCNI-UHFFFAOYSA-N 1 2 271.280 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001028976530 813717270 /nfs/dbraw/zinc/71/72/70/813717270.db2.gz KWMBZNKWWKLJPQ-LLVKDONJSA-N 1 2 283.335 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001028976530 813717274 /nfs/dbraw/zinc/71/72/74/813717274.db2.gz KWMBZNKWWKLJPQ-LLVKDONJSA-N 1 2 283.335 0.643 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccns2)C1 ZINC001270589926 813830091 /nfs/dbraw/zinc/83/00/91/813830091.db2.gz LGQBVVGSSUTSRE-CQSZACIVSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccns2)C1 ZINC001270589926 813830099 /nfs/dbraw/zinc/83/00/99/813830099.db2.gz LGQBVVGSSUTSRE-CQSZACIVSA-N 1 2 293.392 0.987 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001270629913 813855398 /nfs/dbraw/zinc/85/53/98/813855398.db2.gz VNRUUGIHVPIPRP-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001270629913 813855405 /nfs/dbraw/zinc/85/54/05/813855405.db2.gz VNRUUGIHVPIPRP-QWHCGFSZSA-N 1 2 268.357 0.416 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029403600 814169073 /nfs/dbraw/zinc/16/90/73/814169073.db2.gz PFAJTGPAZVTXLC-BETUJISGSA-N 1 2 287.367 0.551 20 30 CCEDLO C=CCSCC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001271194440 814330098 /nfs/dbraw/zinc/33/00/98/814330098.db2.gz KQUUKJNYNFKKKW-UHFFFAOYSA-N 1 2 292.408 0.973 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001271319552 814378600 /nfs/dbraw/zinc/37/86/00/814378600.db2.gz JYCMCKCQUOWAIM-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029678829 814535141 /nfs/dbraw/zinc/53/51/41/814535141.db2.gz TWZGJMMMHXHMSL-NWDGAFQWSA-N 1 2 290.371 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029678829 814535147 /nfs/dbraw/zinc/53/51/47/814535147.db2.gz TWZGJMMMHXHMSL-NWDGAFQWSA-N 1 2 290.371 0.255 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038464402 814614819 /nfs/dbraw/zinc/61/48/19/814614819.db2.gz FMRANDYVANBIMO-JTQLQIEISA-N 1 2 284.319 0.014 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001038464402 814614826 /nfs/dbraw/zinc/61/48/26/814614826.db2.gz FMRANDYVANBIMO-JTQLQIEISA-N 1 2 284.319 0.014 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](O)C1 ZINC001083639707 815583911 /nfs/dbraw/zinc/58/39/11/815583911.db2.gz DFIWIGPNVXDQFR-OLZOCXBDSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](O)C1 ZINC001083639707 815583913 /nfs/dbraw/zinc/58/39/13/815583913.db2.gz DFIWIGPNVXDQFR-OLZOCXBDSA-N 1 2 273.336 0.107 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(F)CCCC1 ZINC001272055885 814889124 /nfs/dbraw/zinc/88/91/24/814889124.db2.gz ZSVGGNYIYUEPRC-UHFFFAOYSA-N 1 2 299.390 0.961 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(F)CCCC1 ZINC001272055885 814889129 /nfs/dbraw/zinc/88/91/29/814889129.db2.gz ZSVGGNYIYUEPRC-UHFFFAOYSA-N 1 2 299.390 0.961 20 30 CCEDLO CN(CCN(C)c1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001105454137 814893203 /nfs/dbraw/zinc/89/32/03/814893203.db2.gz QDTGPCWVFNGHAQ-UHFFFAOYSA-N 1 2 298.350 0.814 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088840762 815834318 /nfs/dbraw/zinc/83/43/18/815834318.db2.gz UPRPQARAUGWFQX-MNOVXSKESA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088840762 815834325 /nfs/dbraw/zinc/83/43/25/815834325.db2.gz UPRPQARAUGWFQX-MNOVXSKESA-N 1 2 265.357 0.407 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001077461066 815989775 /nfs/dbraw/zinc/98/97/75/815989775.db2.gz HQRMGMLGIKNMES-ZIAGYGMSSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001077461066 815989777 /nfs/dbraw/zinc/98/97/77/815989777.db2.gz HQRMGMLGIKNMES-ZIAGYGMSSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001030389451 816007927 /nfs/dbraw/zinc/00/79/27/816007927.db2.gz JPLFHJIOGXRABH-UHFFFAOYSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2OCCO3)C1 ZINC001030400423 816014346 /nfs/dbraw/zinc/01/43/46/816014346.db2.gz XIWYDGSPASAMJV-UHFFFAOYSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001030550638 816101834 /nfs/dbraw/zinc/10/18/34/816101834.db2.gz NCDYTJGZPAYBOG-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978384 816200055 /nfs/dbraw/zinc/20/00/55/816200055.db2.gz MJIGNKLRIIRONG-UTUOFQBUSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978384 816200057 /nfs/dbraw/zinc/20/00/57/816200057.db2.gz MJIGNKLRIIRONG-UTUOFQBUSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978384 816200061 /nfs/dbraw/zinc/20/00/61/816200061.db2.gz MJIGNKLRIIRONG-UTUOFQBUSA-N 1 2 287.367 0.122 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978384 816200065 /nfs/dbraw/zinc/20/00/65/816200065.db2.gz MJIGNKLRIIRONG-UTUOFQBUSA-N 1 2 287.367 0.122 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046023813 816292823 /nfs/dbraw/zinc/29/28/23/816292823.db2.gz XBZGGJPEXUTWBB-KGLIPLIRSA-N 1 2 290.411 0.775 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001030952640 816493436 /nfs/dbraw/zinc/49/34/36/816493436.db2.gz RZMWRVFDPIXDSJ-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001030966376 816514592 /nfs/dbraw/zinc/51/45/92/816514592.db2.gz QYQSDISEUUCKIX-NWDGAFQWSA-N 1 2 265.357 0.087 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001030987483 816536522 /nfs/dbraw/zinc/53/65/22/816536522.db2.gz QBTPEYVIXNDXIT-PWSUYJOCSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001038570435 816537607 /nfs/dbraw/zinc/53/76/07/816537607.db2.gz IXUSSEANUHNOQH-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001038570435 816537610 /nfs/dbraw/zinc/53/76/10/816537610.db2.gz IXUSSEANUHNOQH-ZDUSSCGKSA-N 1 2 296.334 0.100 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ccc(C)cc2=O)C1 ZINC001031029105 816578310 /nfs/dbraw/zinc/57/83/10/816578310.db2.gz CYNDTBDJJPWKTK-UHFFFAOYSA-N 1 2 275.352 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](O)C1 ZINC001083717025 816611332 /nfs/dbraw/zinc/61/13/32/816611332.db2.gz CMYMIONCVBRVKM-KGLIPLIRSA-N 1 2 275.352 0.375 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](O)C1 ZINC001083717025 816611338 /nfs/dbraw/zinc/61/13/38/816611338.db2.gz CMYMIONCVBRVKM-KGLIPLIRSA-N 1 2 275.352 0.375 20 30 CCEDLO C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106362228 816748064 /nfs/dbraw/zinc/74/80/64/816748064.db2.gz KUSIBZBOPLMJEU-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001031197081 816782441 /nfs/dbraw/zinc/78/24/41/816782441.db2.gz UMUFZHARNMPUNL-UHFFFAOYSA-N 1 2 295.346 0.909 20 30 CCEDLO C[C@@H](CCNc1ccncc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598914 816821056 /nfs/dbraw/zinc/82/10/56/816821056.db2.gz TVMWILYLDBUIEF-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598959 816821122 /nfs/dbraw/zinc/82/11/22/816821122.db2.gz USBSUQUMRRHYJL-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CCNCC#N)C1 ZINC001272625960 816872188 /nfs/dbraw/zinc/87/21/88/816872188.db2.gz XWZGXDAJXJFFHI-GFCCVEGCSA-N 1 2 275.356 0.612 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nccn3c2)C1 ZINC001031239713 816876821 /nfs/dbraw/zinc/87/68/21/816876821.db2.gz YOXHESGBWAYYFR-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC001031244204 816879251 /nfs/dbraw/zinc/87/92/51/816879251.db2.gz SDWWFNMEIOYHOT-UHFFFAOYSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](O)C1 ZINC001083737920 816889862 /nfs/dbraw/zinc/88/98/62/816889862.db2.gz COCVSUARFVGPPO-MNOVXSKESA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](O)C1 ZINC001083737920 816889871 /nfs/dbraw/zinc/88/98/71/816889871.db2.gz COCVSUARFVGPPO-MNOVXSKESA-N 1 2 298.264 0.512 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001099262001 816891518 /nfs/dbraw/zinc/89/15/18/816891518.db2.gz NXYJXLDKYHJVCQ-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)COC)C2)cn1 ZINC001031279646 816924966 /nfs/dbraw/zinc/92/49/66/816924966.db2.gz LQBAGMSLFUTTIT-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(C)csc2=O)C1 ZINC001031377137 817011404 /nfs/dbraw/zinc/01/14/04/817011404.db2.gz LMUZURTXWZHZBT-UHFFFAOYSA-N 1 2 279.365 0.042 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001031420943 817043133 /nfs/dbraw/zinc/04/31/33/817043133.db2.gz XEJQUYSLRVEPBD-OAHLLOKOSA-N 1 2 293.411 0.474 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001031445425 817060208 /nfs/dbraw/zinc/06/02/08/817060208.db2.gz XLMHFQWTCRKQTQ-UHFFFAOYSA-N 1 2 298.346 0.716 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001077551090 817104110 /nfs/dbraw/zinc/10/41/10/817104110.db2.gz LKISGIBBPXYUQH-HUUCEWRRSA-N 1 2 289.379 0.786 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001077551090 817104114 /nfs/dbraw/zinc/10/41/14/817104114.db2.gz LKISGIBBPXYUQH-HUUCEWRRSA-N 1 2 289.379 0.786 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CCF)C2)c1 ZINC001031604864 817179086 /nfs/dbraw/zinc/17/90/86/817179086.db2.gz UJDGRXLETRMGCP-UHFFFAOYSA-N 1 2 250.277 0.517 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031613869 817185697 /nfs/dbraw/zinc/18/56/97/817185697.db2.gz SGRBRPCESNIPAO-NSHDSACASA-N 1 2 285.775 0.313 20 30 CCEDLO C#CCCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000180158068 817322748 /nfs/dbraw/zinc/32/27/48/817322748.db2.gz UJTKAAYIGDHUAW-AWEZNQCLSA-N 1 2 265.401 0.932 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001038592351 817398872 /nfs/dbraw/zinc/39/88/72/817398872.db2.gz JUQQRICTSBMNCA-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001038592351 817398881 /nfs/dbraw/zinc/39/88/81/817398881.db2.gz JUQQRICTSBMNCA-AWEZNQCLSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1[nH]cc(C)c1C)C2 ZINC001272706307 817499544 /nfs/dbraw/zinc/49/95/44/817499544.db2.gz RHAFMHPMAXPFIA-UHFFFAOYSA-N 1 2 287.363 0.678 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001083779898 817602304 /nfs/dbraw/zinc/60/23/04/817602304.db2.gz YSOPJCVPSYDTEA-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001083779898 817602310 /nfs/dbraw/zinc/60/23/10/817602310.db2.gz YSOPJCVPSYDTEA-CABCVRRESA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001047587817 817788628 /nfs/dbraw/zinc/78/86/28/817788628.db2.gz NFVQWWWSXDCWGG-STQMWFEESA-N 1 2 282.359 0.796 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001047587817 817788631 /nfs/dbraw/zinc/78/86/31/817788631.db2.gz NFVQWWWSXDCWGG-STQMWFEESA-N 1 2 282.359 0.796 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001077594046 817856430 /nfs/dbraw/zinc/85/64/30/817856430.db2.gz RFHDGWBTSGSYDP-GHMZBOCLSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001077594046 817856435 /nfs/dbraw/zinc/85/64/35/817856435.db2.gz RFHDGWBTSGSYDP-GHMZBOCLSA-N 1 2 298.264 0.512 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777355 817997813 /nfs/dbraw/zinc/99/78/13/817997813.db2.gz MLPBUPFAOQXLLS-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001107777355 817997817 /nfs/dbraw/zinc/99/78/17/817997817.db2.gz MLPBUPFAOQXLLS-AWEZNQCLSA-N 1 2 278.356 0.725 20 30 CCEDLO C[C@H](CNc1ccc(C#N)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001107812306 818027762 /nfs/dbraw/zinc/02/77/62/818027762.db2.gz JDSZFEDOHDMJRY-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107811572 818028911 /nfs/dbraw/zinc/02/89/11/818028911.db2.gz NUCGTTSRISAXDH-OCCSQVGLSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)COC)C1 ZINC001107811572 818028918 /nfs/dbraw/zinc/02/89/18/818028918.db2.gz NUCGTTSRISAXDH-OCCSQVGLSA-N 1 2 270.373 0.662 20 30 CCEDLO C[C@H](CNc1nccnc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001107812438 818028938 /nfs/dbraw/zinc/02/89/38/818028938.db2.gz PPKSPRTUMUFSCW-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC)cn1 ZINC001032818276 818063388 /nfs/dbraw/zinc/06/33/88/818063388.db2.gz GHCKORBVJXFXID-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC)cn1 ZINC001032818276 818063396 /nfs/dbraw/zinc/06/33/96/818063396.db2.gz GHCKORBVJXFXID-RYUDHWBXSA-N 1 2 286.335 0.407 20 30 CCEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001040540423 818083462 /nfs/dbraw/zinc/08/34/62/818083462.db2.gz FRAATGZTWDCFSM-WCFLWFBJSA-N 1 2 285.351 0.982 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052582 818175697 /nfs/dbraw/zinc/17/56/97/818175697.db2.gz GHMGKKQJSVMJMT-OAHLLOKOSA-N 1 2 290.367 0.264 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncn2C)C1 ZINC001108052582 818175701 /nfs/dbraw/zinc/17/57/01/818175701.db2.gz GHMGKKQJSVMJMT-OAHLLOKOSA-N 1 2 290.367 0.264 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090073763 818464235 /nfs/dbraw/zinc/46/42/35/818464235.db2.gz QMLLQIFQVDQJSO-NWDGAFQWSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090073763 818464238 /nfs/dbraw/zinc/46/42/38/818464238.db2.gz QMLLQIFQVDQJSO-NWDGAFQWSA-N 1 2 298.774 0.187 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](O)C1 ZINC001083826430 818497822 /nfs/dbraw/zinc/49/78/22/818497822.db2.gz SCTUFPLZTJLKSD-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](O)C1 ZINC001083826430 818497830 /nfs/dbraw/zinc/49/78/30/818497830.db2.gz SCTUFPLZTJLKSD-OLZOCXBDSA-N 1 2 289.335 0.350 20 30 CCEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCN(CC#N)C1 ZINC001033212759 818655320 /nfs/dbraw/zinc/65/53/20/818655320.db2.gz WLLLZJJNHSJFRD-JSGCOSHPSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090130509 818690602 /nfs/dbraw/zinc/69/06/02/818690602.db2.gz XZQSKUNSMORMNS-VXGBXAGGSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090130509 818690608 /nfs/dbraw/zinc/69/06/08/818690608.db2.gz XZQSKUNSMORMNS-VXGBXAGGSA-N 1 2 299.758 0.521 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csnn2)C1 ZINC001108101904 818692463 /nfs/dbraw/zinc/69/24/63/818692463.db2.gz VFQZSHNFEKPHSE-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csnn2)C1 ZINC001108101904 818692469 /nfs/dbraw/zinc/69/24/69/818692469.db2.gz VFQZSHNFEKPHSE-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@@H](O)C1 ZINC001083852749 818695919 /nfs/dbraw/zinc/69/59/19/818695919.db2.gz KFRHVMOTXQCAON-HZMVEIRTSA-N 1 2 298.386 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@@H](O)C1 ZINC001083852749 818695924 /nfs/dbraw/zinc/69/59/24/818695924.db2.gz KFRHVMOTXQCAON-HZMVEIRTSA-N 1 2 298.386 0.893 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033390105 818755903 /nfs/dbraw/zinc/75/59/03/818755903.db2.gz AWHHKXLFXQCYSZ-NSHDSACASA-N 1 2 278.356 0.848 20 30 CCEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(CC#N)C1 ZINC001033593040 818843487 /nfs/dbraw/zinc/84/34/87/818843487.db2.gz FLLXTKIAJFWXAO-LLVKDONJSA-N 1 2 261.329 0.019 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001033673825 818878400 /nfs/dbraw/zinc/87/84/00/818878400.db2.gz GJRAROTYLGZJAP-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001033673825 818878405 /nfs/dbraw/zinc/87/84/05/818878405.db2.gz GJRAROTYLGZJAP-CHWSQXEVSA-N 1 2 298.408 0.120 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033924721 818989239 /nfs/dbraw/zinc/98/92/39/818989239.db2.gz XYROJHCUQFGNCY-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033924721 818989245 /nfs/dbraw/zinc/98/92/45/818989245.db2.gz XYROJHCUQFGNCY-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035295166 819440814 /nfs/dbraw/zinc/44/08/14/819440814.db2.gz UHLJORROSXWZCR-ZDUSSCGKSA-N 1 2 262.309 0.734 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035295166 819440817 /nfs/dbraw/zinc/44/08/17/819440817.db2.gz UHLJORROSXWZCR-ZDUSSCGKSA-N 1 2 262.309 0.734 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035278166 819446155 /nfs/dbraw/zinc/44/61/55/819446155.db2.gz XJNCDABHHAYQNV-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035278166 819446160 /nfs/dbraw/zinc/44/61/60/819446160.db2.gz XJNCDABHHAYQNV-STQMWFEESA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001035285178 819449939 /nfs/dbraw/zinc/44/99/39/819449939.db2.gz YGNQQEPSHQSNKU-NSHDSACASA-N 1 2 296.396 0.853 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001035285178 819449943 /nfs/dbraw/zinc/44/99/43/819449943.db2.gz YGNQQEPSHQSNKU-NSHDSACASA-N 1 2 296.396 0.853 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333464 819477246 /nfs/dbraw/zinc/47/72/46/819477246.db2.gz JFLGQJLYTOMODZ-ZDUSSCGKSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035333464 819477248 /nfs/dbraw/zinc/47/72/48/819477248.db2.gz JFLGQJLYTOMODZ-ZDUSSCGKSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035342091 819482980 /nfs/dbraw/zinc/48/29/80/819482980.db2.gz YIWLJNZAVRUFSB-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035342091 819482984 /nfs/dbraw/zinc/48/29/84/819482984.db2.gz YIWLJNZAVRUFSB-GFCCVEGCSA-N 1 2 279.315 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349032 819487962 /nfs/dbraw/zinc/48/79/62/819487962.db2.gz CKAFYWLQKXSMLP-JXQTWKCFSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349032 819487965 /nfs/dbraw/zinc/48/79/65/819487965.db2.gz CKAFYWLQKXSMLP-JXQTWKCFSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001035393549 819505564 /nfs/dbraw/zinc/50/55/64/819505564.db2.gz FOMOFRPOKZLHLY-LBPRGKRZSA-N 1 2 293.371 0.223 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001035393549 819505571 /nfs/dbraw/zinc/50/55/71/819505571.db2.gz FOMOFRPOKZLHLY-LBPRGKRZSA-N 1 2 293.371 0.223 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2conc2CC)C1 ZINC001035499096 819539841 /nfs/dbraw/zinc/53/98/41/819539841.db2.gz CDQWFBZRVBPTED-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2conc2CC)C1 ZINC001035499096 819539848 /nfs/dbraw/zinc/53/98/48/819539848.db2.gz CDQWFBZRVBPTED-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001035511880 819544642 /nfs/dbraw/zinc/54/46/42/819544642.db2.gz ZWFOYGUCMDGEPW-MJBXVCDLSA-N 1 2 298.383 0.041 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001035511880 819544650 /nfs/dbraw/zinc/54/46/50/819544650.db2.gz ZWFOYGUCMDGEPW-MJBXVCDLSA-N 1 2 298.383 0.041 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539395 819551614 /nfs/dbraw/zinc/55/16/14/819551614.db2.gz IWROUEYCGGKZBY-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001035539395 819551618 /nfs/dbraw/zinc/55/16/18/819551618.db2.gz IWROUEYCGGKZBY-NSHDSACASA-N 1 2 264.329 0.335 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NCC#N ZINC001036193241 819703709 /nfs/dbraw/zinc/70/37/09/819703709.db2.gz MKRPYOBOBAHNIB-JQWIXIFHSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108185888 820098807 /nfs/dbraw/zinc/09/88/07/820098807.db2.gz FTEXYMPKRBYFTB-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108185888 820098811 /nfs/dbraw/zinc/09/88/11/820098811.db2.gz FTEXYMPKRBYFTB-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064309419 820192810 /nfs/dbraw/zinc/19/28/10/820192810.db2.gz WCDIITQHJJYDGF-SNVBAGLBSA-N 1 2 289.339 0.267 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)cc1 ZINC001080245043 820533403 /nfs/dbraw/zinc/53/34/03/820533403.db2.gz YLCACRHWXMLPBN-BXUZGUMPSA-N 1 2 285.347 0.203 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)cc1 ZINC001080245043 820533410 /nfs/dbraw/zinc/53/34/10/820533410.db2.gz YLCACRHWXMLPBN-BXUZGUMPSA-N 1 2 285.347 0.203 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@H](OC)C1 ZINC001081311985 820737058 /nfs/dbraw/zinc/73/70/58/820737058.db2.gz LQGWNXSGEISMFB-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@H](OC)C1 ZINC001081311985 820737065 /nfs/dbraw/zinc/73/70/65/820737065.db2.gz LQGWNXSGEISMFB-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001081380665 820738307 /nfs/dbraw/zinc/73/83/07/820738307.db2.gz WSRAIDFSNUOYQQ-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001081380665 820738313 /nfs/dbraw/zinc/73/83/13/820738313.db2.gz WSRAIDFSNUOYQQ-ZIAGYGMSSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@H](OC)C1 ZINC001081342974 820742647 /nfs/dbraw/zinc/74/26/47/820742647.db2.gz OOFCJIGEDIMWQB-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@H](OC)C1 ZINC001081342974 820742650 /nfs/dbraw/zinc/74/26/50/820742650.db2.gz OOFCJIGEDIMWQB-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001081521419 820781099 /nfs/dbraw/zinc/78/10/99/820781099.db2.gz CTBREUDCTOIFNB-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001081521419 820781106 /nfs/dbraw/zinc/78/11/06/820781106.db2.gz CTBREUDCTOIFNB-ZIAGYGMSSA-N 1 2 291.326 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H](OC)C1 ZINC001081882192 820850695 /nfs/dbraw/zinc/85/06/95/820850695.db2.gz DIETZVAPKANEQI-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H](OC)C1 ZINC001081882192 820850708 /nfs/dbraw/zinc/85/07/08/820850708.db2.gz DIETZVAPKANEQI-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@H](OC)C1 ZINC001081841994 820856339 /nfs/dbraw/zinc/85/63/39/820856339.db2.gz XIMMKIATFNXJIU-VXGBXAGGSA-N 1 2 293.392 0.822 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@H](OC)C1 ZINC001081841994 820856349 /nfs/dbraw/zinc/85/63/49/820856349.db2.gz XIMMKIATFNXJIU-VXGBXAGGSA-N 1 2 293.392 0.822 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@H](OC)C1 ZINC001081938796 820867044 /nfs/dbraw/zinc/86/70/44/820867044.db2.gz UFRSPJNBTRGMBC-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@H](OC)C1 ZINC001081938796 820867054 /nfs/dbraw/zinc/86/70/54/820867054.db2.gz UFRSPJNBTRGMBC-ZIAGYGMSSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@H](OC)C1 ZINC001082335958 820941859 /nfs/dbraw/zinc/94/18/59/820941859.db2.gz NRMYIOZBFGWDIK-ZYHUDNBSSA-N 1 2 294.376 0.819 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@H](OC)C1 ZINC001082335958 820941867 /nfs/dbraw/zinc/94/18/67/820941867.db2.gz NRMYIOZBFGWDIK-ZYHUDNBSSA-N 1 2 294.376 0.819 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)o1 ZINC001082451208 820972846 /nfs/dbraw/zinc/97/28/46/820972846.db2.gz SYBJBNGFYUJPGL-GMTAPVOTSA-N 1 2 291.355 0.728 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OC)[C@H]2C1 ZINC001083021495 821111256 /nfs/dbraw/zinc/11/12/56/821111256.db2.gz RGTKZPWTFMWQNW-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)OC)[C@H]2C1 ZINC001083021495 821111265 /nfs/dbraw/zinc/11/12/65/821111265.db2.gz RGTKZPWTFMWQNW-MELADBBJSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)C(C)(C)C)[C@H]2C1 ZINC001083028703 821116697 /nfs/dbraw/zinc/11/66/97/821116697.db2.gz DDCREHNIMSRTNE-QWHCGFSZSA-N 1 2 292.379 0.537 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)C(C)(C)C)[C@H]2C1 ZINC001083028703 821116719 /nfs/dbraw/zinc/11/67/19/821116719.db2.gz DDCREHNIMSRTNE-QWHCGFSZSA-N 1 2 292.379 0.537 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@@H](O)C1 ZINC001084111464 821199851 /nfs/dbraw/zinc/19/98/51/821199851.db2.gz IPJPGTORZKAIFV-BDAKNGLRSA-N 1 2 270.329 0.848 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@@H](O)C1 ZINC001084111464 821199857 /nfs/dbraw/zinc/19/98/57/821199857.db2.gz IPJPGTORZKAIFV-BDAKNGLRSA-N 1 2 270.329 0.848 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@@H](O)C1 ZINC001084108421 821202014 /nfs/dbraw/zinc/20/20/14/821202014.db2.gz RURKLXHVSRBJRL-RYRKJORJSA-N 1 2 298.386 0.685 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@@H](O)C1 ZINC001084108421 821202020 /nfs/dbraw/zinc/20/20/20/821202020.db2.gz RURKLXHVSRBJRL-RYRKJORJSA-N 1 2 298.386 0.685 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001108193578 821238649 /nfs/dbraw/zinc/23/86/49/821238649.db2.gz JZJHLIRJMXEJTG-CABCVRRESA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001108193578 821238655 /nfs/dbraw/zinc/23/86/55/821238655.db2.gz JZJHLIRJMXEJTG-CABCVRRESA-N 1 2 295.383 0.048 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(C)cc3=O)[C@@H]2C1 ZINC001084430555 821282944 /nfs/dbraw/zinc/28/29/44/821282944.db2.gz UTYHDCQEMBVVNF-UKRRQHHQSA-N 1 2 299.374 0.473 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(C)cc3=O)[C@@H]2C1 ZINC001084430555 821282949 /nfs/dbraw/zinc/28/29/49/821282949.db2.gz UTYHDCQEMBVVNF-UKRRQHHQSA-N 1 2 299.374 0.473 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465366 821293496 /nfs/dbraw/zinc/29/34/96/821293496.db2.gz JQQXLYJZTOLKBA-BFHYXJOUSA-N 1 2 299.378 0.502 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560266 821315038 /nfs/dbraw/zinc/31/50/38/821315038.db2.gz HXSYIIZJZRUCHZ-CHWSQXEVSA-N 1 2 273.340 0.329 20 30 CCEDLO C[C@@H](CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)n1cc[nH+]c1 ZINC001084691559 821352523 /nfs/dbraw/zinc/35/25/23/821352523.db2.gz SXZGPOPIKNTWCA-BFHYXJOUSA-N 1 2 287.367 0.890 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000820346157 821441217 /nfs/dbraw/zinc/44/12/17/821441217.db2.gz XDBYKAOQHXNIPY-LBPRGKRZSA-N 1 2 273.336 0.432 20 30 CCEDLO Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)cc[nH+]1 ZINC001065973382 821602108 /nfs/dbraw/zinc/60/21/08/821602108.db2.gz FNYWHAZEGQLWHT-WCFLWFBJSA-N 1 2 285.351 0.839 20 30 CCEDLO C/C(=C\C(=O)NC[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000826671196 821668716 /nfs/dbraw/zinc/66/87/16/821668716.db2.gz HXCICGUXOCBAHW-VNKGSWCUSA-N 1 2 251.330 0.541 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccnc1N ZINC001085524960 821770182 /nfs/dbraw/zinc/77/01/82/821770182.db2.gz ZDMWOYUGBSQKPQ-LLVKDONJSA-N 1 2 273.340 0.228 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccnc1N ZINC001085524960 821770185 /nfs/dbraw/zinc/77/01/85/821770185.db2.gz ZDMWOYUGBSQKPQ-LLVKDONJSA-N 1 2 273.340 0.228 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085630661 821860681 /nfs/dbraw/zinc/86/06/81/821860681.db2.gz AOQHJINBIUOYPX-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCC2 ZINC001085630661 821860694 /nfs/dbraw/zinc/86/06/94/821860694.db2.gz AOQHJINBIUOYPX-AWEZNQCLSA-N 1 2 286.379 0.999 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085713976 821914882 /nfs/dbraw/zinc/91/48/82/821914882.db2.gz XXOPLXLJMAOZLY-ZDUSSCGKSA-N 1 2 287.363 0.555 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085713976 821914886 /nfs/dbraw/zinc/91/48/86/821914886.db2.gz XXOPLXLJMAOZLY-ZDUSSCGKSA-N 1 2 287.363 0.555 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712190 821915325 /nfs/dbraw/zinc/91/53/25/821915325.db2.gz DDPZROGMCIBXRS-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712190 821915330 /nfs/dbraw/zinc/91/53/30/821915330.db2.gz DDPZROGMCIBXRS-SNVBAGLBSA-N 1 2 280.759 0.853 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205606 821916550 /nfs/dbraw/zinc/91/65/50/821916550.db2.gz SFUUWQGAMIGSJM-AWEZNQCLSA-N 1 2 282.359 0.967 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205606 821916555 /nfs/dbraw/zinc/91/65/55/821916555.db2.gz SFUUWQGAMIGSJM-AWEZNQCLSA-N 1 2 282.359 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085762021 821934073 /nfs/dbraw/zinc/93/40/73/821934073.db2.gz ZCBVRHDUHOIIHN-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1OC ZINC001085762021 821934078 /nfs/dbraw/zinc/93/40/78/821934078.db2.gz ZCBVRHDUHOIIHN-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085758488 821936682 /nfs/dbraw/zinc/93/66/82/821936682.db2.gz JUHRDXUCDCVUSQ-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085758488 821936689 /nfs/dbraw/zinc/93/66/89/821936689.db2.gz JUHRDXUCDCVUSQ-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001085797929 821956194 /nfs/dbraw/zinc/95/61/94/821956194.db2.gz DNNRJMOFENPPGS-NSHDSACASA-N 1 2 278.356 0.848 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001085797929 821956197 /nfs/dbraw/zinc/95/61/97/821956197.db2.gz DNNRJMOFENPPGS-NSHDSACASA-N 1 2 278.356 0.848 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C#C)c1 ZINC001085809622 821961215 /nfs/dbraw/zinc/96/12/15/821961215.db2.gz JSNSMEWYVJZGIZ-HNNXBMFYSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C#C)c1 ZINC001085809622 821961217 /nfs/dbraw/zinc/96/12/17/821961217.db2.gz JSNSMEWYVJZGIZ-HNNXBMFYSA-N 1 2 267.332 0.842 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085909109 822013620 /nfs/dbraw/zinc/01/36/20/822013620.db2.gz ASVMAQOKWAEITR-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nn1 ZINC001085909109 822013624 /nfs/dbraw/zinc/01/36/24/822013624.db2.gz ASVMAQOKWAEITR-GFCCVEGCSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#C)nc1 ZINC001085934185 822023478 /nfs/dbraw/zinc/02/34/78/822023478.db2.gz VGJDETKGLIGAPT-OAHLLOKOSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C#C)nc1 ZINC001085934185 822023487 /nfs/dbraw/zinc/02/34/87/822023487.db2.gz VGJDETKGLIGAPT-OAHLLOKOSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086003910 822067039 /nfs/dbraw/zinc/06/70/39/822067039.db2.gz SSSKHVGQUHSJTB-LBPRGKRZSA-N 1 2 275.356 0.386 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001086003910 822067046 /nfs/dbraw/zinc/06/70/46/822067046.db2.gz SSSKHVGQUHSJTB-LBPRGKRZSA-N 1 2 275.356 0.386 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001114024767 837404094 /nfs/dbraw/zinc/40/40/94/837404094.db2.gz FAKVKDRXKNTGAP-CIQGVGRVSA-N 1 2 289.383 0.889 20 30 CCEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001114024767 837404101 /nfs/dbraw/zinc/40/41/01/837404101.db2.gz FAKVKDRXKNTGAP-CIQGVGRVSA-N 1 2 289.383 0.889 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114063314 837424075 /nfs/dbraw/zinc/42/40/75/837424075.db2.gz BCHHLDCLGBTKRU-DCQANWLSSA-N 1 2 273.340 0.126 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114063314 837424079 /nfs/dbraw/zinc/42/40/79/837424079.db2.gz BCHHLDCLGBTKRU-DCQANWLSSA-N 1 2 273.340 0.126 20 30 CCEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001129514612 837525116 /nfs/dbraw/zinc/52/51/16/837525116.db2.gz XRABJRFKTXAWNQ-UHFFFAOYSA-N 1 2 289.339 0.885 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2CC)C1 ZINC001108371616 835991114 /nfs/dbraw/zinc/99/11/14/835991114.db2.gz ZENIKSRODWKFJH-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]cnc2CC)C1 ZINC001108371616 835991120 /nfs/dbraw/zinc/99/11/20/835991120.db2.gz ZENIKSRODWKFJH-OAHLLOKOSA-N 1 2 292.383 0.979 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)n2)C1 ZINC001108397101 836010381 /nfs/dbraw/zinc/01/03/81/836010381.db2.gz NZBUDDUOVOKBKE-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)n2)C1 ZINC001108397101 836010393 /nfs/dbraw/zinc/01/03/93/836010393.db2.gz NZBUDDUOVOKBKE-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C#N)ccc2C)C[NH2+]1 ZINC001169129400 836145115 /nfs/dbraw/zinc/14/51/15/836145115.db2.gz NTAFADNXMMRQKU-MNOVXSKESA-N 1 2 260.297 0.577 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC001169130094 836145866 /nfs/dbraw/zinc/14/58/66/836145866.db2.gz JLJTZCUODCFJHN-BDAKNGLRSA-N 1 2 291.267 0.177 20 30 CCEDLO C=CC[NH+]1CCN([C@H]2CC[C@@H](C(=O)OCC)OC2)CC1 ZINC001169391648 836261003 /nfs/dbraw/zinc/26/10/03/836261003.db2.gz ISDODOBSBBTNJZ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[NH+]1CCN([C@H]2CC[C@H](C(=O)OCC)OC2)CC1 ZINC001169391650 836262270 /nfs/dbraw/zinc/26/22/70/836262270.db2.gz ISDODOBSBBTNJZ-UONOGXRCSA-N 1 2 282.384 0.901 20 30 CCEDLO COc1cc2ncc(N3CC[NH2+]C[C@@H]3C#N)nc2cc1OC ZINC001156320054 836280260 /nfs/dbraw/zinc/28/02/60/836280260.db2.gz OEKGQBVCUCAEBE-JTQLQIEISA-N 1 2 299.334 0.949 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnnc(Cl)c1 ZINC001156319728 836280787 /nfs/dbraw/zinc/28/07/87/836280787.db2.gz CDDNORVBQPHIBQ-QMMMGPOBSA-N 1 2 273.674 0.977 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCC)CC2=O)C1 ZINC001108510025 836375607 /nfs/dbraw/zinc/37/56/07/836375607.db2.gz NDPXFULLIBEHGM-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO CS(=O)(=O)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001169877191 836463348 /nfs/dbraw/zinc/46/33/48/836463348.db2.gz ZKUWNKDSMBORRQ-CXQJBGSLSA-N 1 2 271.386 0.140 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762729 836520661 /nfs/dbraw/zinc/52/06/61/836520661.db2.gz AZSLSJFQXYOOOG-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762729 836520668 /nfs/dbraw/zinc/52/06/68/836520668.db2.gz AZSLSJFQXYOOOG-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC)C2 ZINC001108902115 836569521 /nfs/dbraw/zinc/56/95/21/836569521.db2.gz BCJRTEZZUITHBD-WOPDTQHZSA-N 1 2 297.424 0.373 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC)C2 ZINC001108902115 836569530 /nfs/dbraw/zinc/56/95/30/836569530.db2.gz BCJRTEZZUITHBD-WOPDTQHZSA-N 1 2 297.424 0.373 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001109058525 836609486 /nfs/dbraw/zinc/60/94/86/836609486.db2.gz ZFEBVHLPKYBVTH-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109102188 836614809 /nfs/dbraw/zinc/61/48/09/836614809.db2.gz NEPJCMUDLAJGQX-NWDGAFQWSA-N 1 2 290.367 0.764 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133004 836620911 /nfs/dbraw/zinc/62/09/11/836620911.db2.gz WBDJJBLANBSEBZ-XMASSBRRSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133004 836620917 /nfs/dbraw/zinc/62/09/17/836620917.db2.gz WBDJJBLANBSEBZ-XMASSBRRSA-N 1 2 289.379 0.424 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109612587 836705038 /nfs/dbraw/zinc/70/50/38/836705038.db2.gz KMUGMFHNURHGNS-AGIUHOORSA-N 1 2 295.358 0.207 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109612587 836705046 /nfs/dbraw/zinc/70/50/46/836705046.db2.gz KMUGMFHNURHGNS-AGIUHOORSA-N 1 2 295.358 0.207 20 30 CCEDLO N#CCN1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090428433 836731593 /nfs/dbraw/zinc/73/15/93/836731593.db2.gz UTHHBICFJBDXRJ-WCQYABFASA-N 1 2 299.334 0.023 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001112629904 836832442 /nfs/dbraw/zinc/83/24/42/836832442.db2.gz GDMYXFDFZPUQBV-CYBMUJFWSA-N 1 2 297.424 0.956 20 30 CCEDLO CC(C)C#CC(=O)N1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001112833166 836932528 /nfs/dbraw/zinc/93/25/28/836932528.db2.gz KJJQEBJVQNMRPM-UHFFFAOYSA-N 1 2 288.395 0.766 20 30 CCEDLO CC(C)C#CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112830780 836933467 /nfs/dbraw/zinc/93/34/67/836933467.db2.gz FKPBCTOTFPYAHX-UHFFFAOYSA-N 1 2 274.368 0.724 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2cc(C)on2)CC1 ZINC001113002819 836995936 /nfs/dbraw/zinc/99/59/36/836995936.db2.gz GALRHBCRNNKVLG-UHFFFAOYSA-N 1 2 279.340 0.830 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1nccnc1C#N ZINC001113155368 837040734 /nfs/dbraw/zinc/04/07/34/837040734.db2.gz OGXKXAVGXFJZCL-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC001113176953 837047731 /nfs/dbraw/zinc/04/77/31/837047731.db2.gz BNMIQNCEPRZKLE-GFCCVEGCSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113243073 837067180 /nfs/dbraw/zinc/06/71/80/837067180.db2.gz DADHNDFJEZVHJV-CQSZACIVSA-N 1 2 284.400 0.742 20 30 CCEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113313189 837084356 /nfs/dbraw/zinc/08/43/56/837084356.db2.gz DUVCQIRKGUJLSD-ZJUUUORDSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113541714 837157676 /nfs/dbraw/zinc/15/76/76/837157676.db2.gz ZVANJTSGJCCSAQ-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001113746006 837212336 /nfs/dbraw/zinc/21/23/36/837212336.db2.gz QEQPNHNVXSPNRV-HNNXBMFYSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CCCC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100170416 837966499 /nfs/dbraw/zinc/96/64/99/837966499.db2.gz MXQPZNZEODRZMW-UHFFFAOYSA-N 1 2 278.360 0.161 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)COC)CC1 ZINC001131345161 838058537 /nfs/dbraw/zinc/05/85/37/838058537.db2.gz NYUSNNRTNPCAOB-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)COC)CC1 ZINC001131345161 838058547 /nfs/dbraw/zinc/05/85/47/838058547.db2.gz NYUSNNRTNPCAOB-CYBMUJFWSA-N 1 2 297.399 0.105 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131736449 838198202 /nfs/dbraw/zinc/19/82/02/838198202.db2.gz YKEOAJDGMMQSHL-MNOVXSKESA-N 1 2 274.311 0.870 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131736449 838198206 /nfs/dbraw/zinc/19/82/06/838198206.db2.gz YKEOAJDGMMQSHL-MNOVXSKESA-N 1 2 274.311 0.870 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217761 838339863 /nfs/dbraw/zinc/33/98/63/838339863.db2.gz GNVXOCVCWCYXEV-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132217761 838339870 /nfs/dbraw/zinc/33/98/70/838339870.db2.gz GNVXOCVCWCYXEV-GHMZBOCLSA-N 1 2 267.373 0.653 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001132253456 838351141 /nfs/dbraw/zinc/35/11/41/838351141.db2.gz UOVWVZOPQBGQQK-GHMZBOCLSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001132253456 838351145 /nfs/dbraw/zinc/35/11/45/838351145.db2.gz UOVWVZOPQBGQQK-GHMZBOCLSA-N 1 2 299.802 0.974 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNCC#N ZINC001133194504 838573348 /nfs/dbraw/zinc/57/33/48/838573348.db2.gz GTZNAVAVFABDHY-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nncs2)c1 ZINC001133597623 838678326 /nfs/dbraw/zinc/67/83/26/838678326.db2.gz WLWUXDOSZGMEGC-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001135142105 839166386 /nfs/dbraw/zinc/16/63/86/839166386.db2.gz GPDQWYVGRGOOTB-JQWIXIFHSA-N 1 2 296.396 0.725 20 30 CCEDLO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001086795877 839424276 /nfs/dbraw/zinc/42/42/76/839424276.db2.gz KLGAOZHAKILDST-VHSXEESVSA-N 1 2 264.304 0.670 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)NCCn1cc[nH+]c1 ZINC001136212915 839565422 /nfs/dbraw/zinc/56/54/22/839565422.db2.gz RRQKEROJRGNPQV-UHFFFAOYSA-N 1 2 251.286 0.509 20 30 CCEDLO NC(=O)c1c[nH]c2nc[nH+]c(NCCCS)c12 ZINC001171004197 839698990 /nfs/dbraw/zinc/69/89/90/839698990.db2.gz VOKDLMCVAOJXEM-UHFFFAOYSA-N 1 2 251.315 0.740 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090850796 839854349 /nfs/dbraw/zinc/85/43/49/839854349.db2.gz WEDQLSFPGFUHHE-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001090850796 839854354 /nfs/dbraw/zinc/85/43/54/839854354.db2.gz WEDQLSFPGFUHHE-WDEREUQCSA-N 1 2 298.774 0.636 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001144069001 839924862 /nfs/dbraw/zinc/92/48/62/839924862.db2.gz AUBRDYFBKDPZGR-NSHDSACASA-N 1 2 268.357 0.904 20 30 CCEDLO C=CCC(C)(C)C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001144069001 839924863 /nfs/dbraw/zinc/92/48/63/839924863.db2.gz AUBRDYFBKDPZGR-NSHDSACASA-N 1 2 268.357 0.904 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@H]21 ZINC001144157296 839962479 /nfs/dbraw/zinc/96/24/79/839962479.db2.gz CCGDPERQEBPTGZ-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)C[C@H]21 ZINC001144157296 839962490 /nfs/dbraw/zinc/96/24/90/839962490.db2.gz CCGDPERQEBPTGZ-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cn3)C[C@H]21 ZINC001144157296 839962498 /nfs/dbraw/zinc/96/24/98/839962498.db2.gz CCGDPERQEBPTGZ-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cn3)C[C@H]21 ZINC001144157296 839962504 /nfs/dbraw/zinc/96/25/04/839962504.db2.gz CCGDPERQEBPTGZ-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CC(=O)OC)CC1 ZINC001144377770 840024645 /nfs/dbraw/zinc/02/46/45/840024645.db2.gz YLZQXCRXQJPGMN-LBPRGKRZSA-N 1 2 268.357 0.906 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)c(C#N)c1 ZINC001186048795 844497822 /nfs/dbraw/zinc/49/78/22/844497822.db2.gz IOKQLSYTAAHNGT-LBPRGKRZSA-N 1 2 270.292 0.435 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c(C#N)c1 ZINC001186048795 844497830 /nfs/dbraw/zinc/49/78/30/844497830.db2.gz IOKQLSYTAAHNGT-LBPRGKRZSA-N 1 2 270.292 0.435 20 30 CCEDLO NC(=O)c1ccc(C(N)=[NH+]c2[nH]ccc3nnnc2-3)cc1 ZINC001171253180 840204453 /nfs/dbraw/zinc/20/44/53/840204453.db2.gz LRLNQCWAIRDMBO-UHFFFAOYSA-N 1 2 281.279 0.489 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001146272325 840281704 /nfs/dbraw/zinc/28/17/04/840281704.db2.gz YWSGQYOJMQIAQH-CYBMUJFWSA-N 1 2 296.367 0.429 20 30 CCEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ccc2c1OCC(=O)N2 ZINC001171364089 840953378 /nfs/dbraw/zinc/95/33/78/840953378.db2.gz WSGVYFWZJNAWRY-RCOVLWMOSA-N 1 2 278.268 0.061 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 ZINC001092200882 841001388 /nfs/dbraw/zinc/00/13/88/841001388.db2.gz RMZAVUWLQIPKOJ-DOMZBBRYSA-N 1 2 287.367 0.266 20 30 CCEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)COC)CC2)C1 ZINC001093493494 841263343 /nfs/dbraw/zinc/26/33/43/841263343.db2.gz ONESSXHLOASDGS-UHFFFAOYSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)CC)C2 ZINC001110154733 841557300 /nfs/dbraw/zinc/55/73/00/841557300.db2.gz DVGBGXNICPLSAR-AGIUHOORSA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)CC)C2 ZINC001110154733 841557307 /nfs/dbraw/zinc/55/73/07/841557307.db2.gz DVGBGXNICPLSAR-AGIUHOORSA-N 1 2 298.408 0.166 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(C)CC3)CC2=O)C1 ZINC001094738801 841716217 /nfs/dbraw/zinc/71/62/17/841716217.db2.gz OANPKFMOZKTIKH-GFCCVEGCSA-N 1 2 291.395 0.764 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001094856280 841776243 /nfs/dbraw/zinc/77/62/43/841776243.db2.gz VQSNZUBABKHHLP-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#Cc1cncc(NCCCNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001094856280 841776252 /nfs/dbraw/zinc/77/62/52/841776252.db2.gz VQSNZUBABKHHLP-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1[C@H](C)CCCC#N ZINC001172507847 841937055 /nfs/dbraw/zinc/93/70/55/841937055.db2.gz ZFRCCSWDZGYCGR-VXGBXAGGSA-N 1 2 281.356 0.822 20 30 CCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1[C@H](C)CCCC#N ZINC001172507847 841937052 /nfs/dbraw/zinc/93/70/52/841937052.db2.gz ZFRCCSWDZGYCGR-VXGBXAGGSA-N 1 2 281.356 0.822 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173734362 842134313 /nfs/dbraw/zinc/13/43/13/842134313.db2.gz MZNZJVZEEORVRO-AEJSXWLSSA-N 1 2 285.373 0.218 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cn1 ZINC001176883784 842439273 /nfs/dbraw/zinc/43/92/73/842439273.db2.gz NBVBBNWDFQQWMV-UHFFFAOYSA-N 1 2 255.281 0.856 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 ZINC001176894657 842456530 /nfs/dbraw/zinc/45/65/30/842456530.db2.gz ROQQQXUQAJNZJH-ZIAGYGMSSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 ZINC001176894657 842456533 /nfs/dbraw/zinc/45/65/33/842456533.db2.gz ROQQQXUQAJNZJH-ZIAGYGMSSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001176954561 842468859 /nfs/dbraw/zinc/46/88/59/842468859.db2.gz FLSCYJLPWDAVFG-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001176954561 842468864 /nfs/dbraw/zinc/46/88/64/842468864.db2.gz FLSCYJLPWDAVFG-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176989551 842480362 /nfs/dbraw/zinc/48/03/62/842480362.db2.gz UCIXNDDBPNCNFC-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176989551 842480365 /nfs/dbraw/zinc/48/03/65/842480365.db2.gz UCIXNDDBPNCNFC-HUUCEWRRSA-N 1 2 294.395 0.474 20 30 CCEDLO N#Cc1cnccc1NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001110206955 842574270 /nfs/dbraw/zinc/57/42/70/842574270.db2.gz KYHHEAPLZLTHTK-UHFFFAOYSA-N 1 2 296.334 0.402 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C#Cc2ccccn2)CC1 ZINC001177801268 842681284 /nfs/dbraw/zinc/68/12/84/842681284.db2.gz WSTDNIRQNUDCDF-UHFFFAOYSA-N 1 2 273.336 0.224 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763640 843295068 /nfs/dbraw/zinc/29/50/68/843295068.db2.gz XLFRUQAFEUYQOE-WCQYABFASA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763640 843295079 /nfs/dbraw/zinc/29/50/79/843295079.db2.gz XLFRUQAFEUYQOE-WCQYABFASA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763638 843295339 /nfs/dbraw/zinc/29/53/39/843295339.db2.gz XLFRUQAFEUYQOE-AAEUAGOBSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763638 843295344 /nfs/dbraw/zinc/29/53/44/843295344.db2.gz XLFRUQAFEUYQOE-AAEUAGOBSA-N 1 2 253.346 0.762 20 30 CCEDLO C=C(C)C(=O)NCCCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264054 843438205 /nfs/dbraw/zinc/43/82/05/843438205.db2.gz GOSMEWOKEDPQJM-UHFFFAOYSA-N 1 2 276.340 0.405 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001181644834 843551509 /nfs/dbraw/zinc/55/15/09/843551509.db2.gz ZXHGSNFHHROBSY-LLVKDONJSA-N 1 2 280.328 0.271 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COC(C)(C)O2)CC1 ZINC001181739346 843590194 /nfs/dbraw/zinc/59/01/94/843590194.db2.gz DFBFZEJUEYRICY-LLVKDONJSA-N 1 2 254.330 0.468 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182214778 843754982 /nfs/dbraw/zinc/75/49/82/843754982.db2.gz HRVOORSAKPDVEQ-ZWNOBZJWSA-N 1 2 296.396 0.556 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccon1)C2 ZINC001110330975 843993930 /nfs/dbraw/zinc/99/39/30/843993930.db2.gz BVSOGQHXXPGVTC-BNOWGMLFSA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccon1)C2 ZINC001110330975 843993931 /nfs/dbraw/zinc/99/39/31/843993931.db2.gz BVSOGQHXXPGVTC-BNOWGMLFSA-N 1 2 289.335 0.660 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CO)C(F)(F)F)CC1 ZINC001183284035 844002424 /nfs/dbraw/zinc/00/24/24/844002424.db2.gz RWNASFQOXPUUJW-SECBINFHSA-N 1 2 266.263 0.487 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394397 844735994 /nfs/dbraw/zinc/73/59/94/844735994.db2.gz ADZDULYZZBXKMT-LOWDOPEQSA-N 1 2 292.383 0.392 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394397 844735997 /nfs/dbraw/zinc/73/59/97/844735997.db2.gz ADZDULYZZBXKMT-LOWDOPEQSA-N 1 2 292.383 0.392 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(=O)OC)cc1 ZINC001188727559 844963881 /nfs/dbraw/zinc/96/38/81/844963881.db2.gz DRGCFFIPVSHSRG-CQSZACIVSA-N 1 2 286.331 0.597 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(=O)OC)cc1 ZINC001188727559 844963883 /nfs/dbraw/zinc/96/38/83/844963883.db2.gz DRGCFFIPVSHSRG-CQSZACIVSA-N 1 2 286.331 0.597 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192547086 845866235 /nfs/dbraw/zinc/86/62/35/845866235.db2.gz LVSZHUMTCYHUMU-NIAVUQMZSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192547086 845866246 /nfs/dbraw/zinc/86/62/46/845866246.db2.gz LVSZHUMTCYHUMU-NIAVUQMZSA-N 1 2 288.775 0.227 20 30 CCEDLO N#CCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001192987393 845944741 /nfs/dbraw/zinc/94/47/41/845944741.db2.gz AVJGOGPUNDLSTA-UHFFFAOYSA-N 1 2 276.321 0.815 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193185326 846028572 /nfs/dbraw/zinc/02/85/72/846028572.db2.gz HWHKBXHOTSLSEE-JTQLQIEISA-N 1 2 298.368 0.566 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC)CO2 ZINC001273676106 846285341 /nfs/dbraw/zinc/28/53/41/846285341.db2.gz RKFJOPMEQGFIFW-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194898175 846412324 /nfs/dbraw/zinc/41/23/24/846412324.db2.gz RQEQMABEMHZFJD-KBPBESRZSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194898175 846412332 /nfs/dbraw/zinc/41/23/32/846412332.db2.gz RQEQMABEMHZFJD-KBPBESRZSA-N 1 2 293.411 0.705 20 30 CCEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001195191358 846474380 /nfs/dbraw/zinc/47/43/80/846474380.db2.gz ITVOUNUZVDXYTK-UHFFFAOYSA-N 1 2 279.384 0.766 20 30 CCEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001195191358 846474382 /nfs/dbraw/zinc/47/43/82/846474382.db2.gz ITVOUNUZVDXYTK-UHFFFAOYSA-N 1 2 279.384 0.766 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001195897037 846640593 /nfs/dbraw/zinc/64/05/93/846640593.db2.gz MAEDTNQZQJEJKR-CHWSQXEVSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001195897037 846640596 /nfs/dbraw/zinc/64/05/96/846640596.db2.gz MAEDTNQZQJEJKR-CHWSQXEVSA-N 1 2 262.353 0.527 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195915206 846649973 /nfs/dbraw/zinc/64/99/73/846649973.db2.gz NCPYPHMGNOPRIS-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195915206 846649980 /nfs/dbraw/zinc/64/99/80/846649980.db2.gz NCPYPHMGNOPRIS-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001196519387 846757579 /nfs/dbraw/zinc/75/75/79/846757579.db2.gz MNSVXYDWQSLTDU-BFHYXJOUSA-N 1 2 266.385 0.853 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001196519387 846757587 /nfs/dbraw/zinc/75/75/87/846757587.db2.gz MNSVXYDWQSLTDU-BFHYXJOUSA-N 1 2 266.385 0.853 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196855259 846811066 /nfs/dbraw/zinc/81/10/66/846811066.db2.gz ZKLLEUFIGJMZPN-QWHCGFSZSA-N 1 2 281.400 0.725 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196855259 846811071 /nfs/dbraw/zinc/81/10/71/846811071.db2.gz ZKLLEUFIGJMZPN-QWHCGFSZSA-N 1 2 281.400 0.725 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001197220724 846883656 /nfs/dbraw/zinc/88/36/56/846883656.db2.gz IBBFOOYFCQXOON-NFAWXSAZSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001197220724 846883657 /nfs/dbraw/zinc/88/36/57/846883657.db2.gz IBBFOOYFCQXOON-NFAWXSAZSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197253015 846886957 /nfs/dbraw/zinc/88/69/57/846886957.db2.gz CQQINBKWRSYGCM-CYBMUJFWSA-N 1 2 289.379 0.070 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197253015 846886963 /nfs/dbraw/zinc/88/69/63/846886963.db2.gz CQQINBKWRSYGCM-CYBMUJFWSA-N 1 2 289.379 0.070 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001198158045 847056547 /nfs/dbraw/zinc/05/65/47/847056547.db2.gz XQEBOMXROPYSMX-WDEREUQCSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001198158045 847056551 /nfs/dbraw/zinc/05/65/51/847056551.db2.gz XQEBOMXROPYSMX-WDEREUQCSA-N 1 2 254.330 0.514 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001198345020 847093465 /nfs/dbraw/zinc/09/34/65/847093465.db2.gz YXZYHOQVECLRHZ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001198345020 847093472 /nfs/dbraw/zinc/09/34/72/847093472.db2.gz YXZYHOQVECLRHZ-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCS(C)(=O)=O ZINC001273811398 847546423 /nfs/dbraw/zinc/54/64/23/847546423.db2.gz GPCMSHNZBYYTSD-AWEZNQCLSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCS(C)(=O)=O ZINC001273811398 847546432 /nfs/dbraw/zinc/54/64/32/847546432.db2.gz GPCMSHNZBYYTSD-AWEZNQCLSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CC[NH2+]C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200556098 847652127 /nfs/dbraw/zinc/65/21/27/847652127.db2.gz WRTXNVBGVSCRRH-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCCO1 ZINC001200556098 847652132 /nfs/dbraw/zinc/65/21/32/847652132.db2.gz WRTXNVBGVSCRRH-UWVGGRQHSA-N 1 2 296.264 0.727 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3nccnc23)CC1 ZINC001153195262 847960253 /nfs/dbraw/zinc/96/02/53/847960253.db2.gz MWTKBTKBSWDRGU-UHFFFAOYSA-N 1 2 271.324 0.853 20 30 CCEDLO C=CCOC[C@H](O)C[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461568 847974497 /nfs/dbraw/zinc/97/44/97/847974497.db2.gz TXAIZEKXOYMBGE-NEPJUHHUSA-N 1 2 285.340 0.004 20 30 CCEDLO C=CCOC[C@H](O)C[N@@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001252461568 847974508 /nfs/dbraw/zinc/97/45/08/847974508.db2.gz TXAIZEKXOYMBGE-NEPJUHHUSA-N 1 2 285.340 0.004 20 30 CCEDLO N#CCOc1ccc(C[NH+]2CCN(C(N)=O)CC2)cc1 ZINC001137119239 848129611 /nfs/dbraw/zinc/12/96/11/848129611.db2.gz AHMLIHNJWOHWIJ-UHFFFAOYSA-N 1 2 274.324 0.785 20 30 CCEDLO CC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031771 848311202 /nfs/dbraw/zinc/31/12/02/848311202.db2.gz ZXUWZNIAYMDUTC-NHYWBVRUSA-N 1 2 291.351 0.719 20 30 CCEDLO CC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031771 848311216 /nfs/dbraw/zinc/31/12/16/848311216.db2.gz ZXUWZNIAYMDUTC-NHYWBVRUSA-N 1 2 291.351 0.719 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cncc(O)c2)C1=O ZINC001274283100 848439066 /nfs/dbraw/zinc/43/90/66/848439066.db2.gz FIRHBPVUWCRHMY-MRXNPFEDSA-N 1 2 285.347 0.987 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cncc(O)c2)C1=O ZINC001274283100 848439068 /nfs/dbraw/zinc/43/90/68/848439068.db2.gz FIRHBPVUWCRHMY-MRXNPFEDSA-N 1 2 285.347 0.987 20 30 CCEDLO C=CCN1CC2(CN(Cc3c(C)[nH+]cn3C)C2)OCC1=O ZINC001274351615 848455759 /nfs/dbraw/zinc/45/57/59/848455759.db2.gz GECHUINUXBRGQK-UHFFFAOYSA-N 1 2 290.367 0.328 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001274615361 848524760 /nfs/dbraw/zinc/52/47/60/848524760.db2.gz SSCKIPKBVINAKW-TZMCWYRMSA-N 1 2 282.384 0.635 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)CSCC#N)n1 ZINC001274678397 848539562 /nfs/dbraw/zinc/53/95/62/848539562.db2.gz HVVNQWDSZPJOJF-MRVPVSSYSA-N 1 2 283.357 0.229 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001095582799 848992115 /nfs/dbraw/zinc/99/21/15/848992115.db2.gz LNHHQKRIUWDHRZ-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001114525457 849234645 /nfs/dbraw/zinc/23/46/45/849234645.db2.gz LYXBEAJQVUWWJX-XYJRDEOASA-N 1 2 285.351 0.743 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCC2)C1=O ZINC001038009016 849636872 /nfs/dbraw/zinc/63/68/72/849636872.db2.gz ZIUPBAQPRGYKPE-ZIAGYGMSSA-N 1 2 291.395 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCC2)C1=O ZINC001038009016 849636878 /nfs/dbraw/zinc/63/68/78/849636878.db2.gz ZIUPBAQPRGYKPE-ZIAGYGMSSA-N 1 2 291.395 0.764 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001038625135 849699784 /nfs/dbraw/zinc/69/97/84/849699784.db2.gz JFFIDGJOESFYHZ-OLZOCXBDSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001038625135 849699788 /nfs/dbraw/zinc/69/97/88/849699788.db2.gz JFFIDGJOESFYHZ-OLZOCXBDSA-N 1 2 277.368 0.210 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001038637654 849764403 /nfs/dbraw/zinc/76/44/03/849764403.db2.gz KRXBHUHRHNSYMP-CHWSQXEVSA-N 1 2 286.379 0.664 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001038637654 849764415 /nfs/dbraw/zinc/76/44/15/849764415.db2.gz KRXBHUHRHNSYMP-CHWSQXEVSA-N 1 2 286.379 0.664 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC001038202326 849816379 /nfs/dbraw/zinc/81/63/79/849816379.db2.gz WSNLSCXWVKOVRD-CYBMUJFWSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC001038202326 849816382 /nfs/dbraw/zinc/81/63/82/849816382.db2.gz WSNLSCXWVKOVRD-CYBMUJFWSA-N 1 2 258.325 0.612 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001038315947 849848933 /nfs/dbraw/zinc/84/89/33/849848933.db2.gz UVWUZEWGUYNBPD-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001038315947 849848939 /nfs/dbraw/zinc/84/89/39/849848939.db2.gz UVWUZEWGUYNBPD-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038359080 849863690 /nfs/dbraw/zinc/86/36/90/849863690.db2.gz IDUJNKIEXNKRLL-AGIUHOORSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038359080 849863695 /nfs/dbraw/zinc/86/36/95/849863695.db2.gz IDUJNKIEXNKRLL-AGIUHOORSA-N 1 2 250.342 0.625 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038435394 849895932 /nfs/dbraw/zinc/89/59/32/849895932.db2.gz SGHRINPLMFGPNT-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038435394 849895935 /nfs/dbraw/zinc/89/59/35/849895935.db2.gz SGHRINPLMFGPNT-ZDUSSCGKSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnc2)n1 ZINC001038440799 849899318 /nfs/dbraw/zinc/89/93/18/849899318.db2.gz AGAWFXIPTPJRFJ-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnc2)n1 ZINC001038440799 849899329 /nfs/dbraw/zinc/89/93/29/849899329.db2.gz AGAWFXIPTPJRFJ-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038477294 849918922 /nfs/dbraw/zinc/91/89/22/849918922.db2.gz NAUSEAWWBMJPQX-LBPRGKRZSA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001038477294 849918923 /nfs/dbraw/zinc/91/89/23/849918923.db2.gz NAUSEAWWBMJPQX-LBPRGKRZSA-N 1 2 259.309 0.528 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038490437 849920098 /nfs/dbraw/zinc/92/00/98/849920098.db2.gz TXADRKYETSJVBI-SNVBAGLBSA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038490437 849920103 /nfs/dbraw/zinc/92/01/03/849920103.db2.gz TXADRKYETSJVBI-SNVBAGLBSA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038514206 849930792 /nfs/dbraw/zinc/93/07/92/849930792.db2.gz PQFXCIJSOSTCOM-LBPRGKRZSA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2nccn2c1 ZINC001038514206 849930802 /nfs/dbraw/zinc/93/08/02/849930802.db2.gz PQFXCIJSOSTCOM-LBPRGKRZSA-N 1 2 269.308 0.167 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001038554566 849940946 /nfs/dbraw/zinc/94/09/46/849940946.db2.gz ILCDRECNUWAMAU-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001038554566 849940961 /nfs/dbraw/zinc/94/09/61/849940961.db2.gz ILCDRECNUWAMAU-JTQLQIEISA-N 1 2 263.297 0.511 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001038729856 849996029 /nfs/dbraw/zinc/99/60/29/849996029.db2.gz SYDXYRNJIAIPMR-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001038729856 849996043 /nfs/dbraw/zinc/99/60/43/849996043.db2.gz SYDXYRNJIAIPMR-LBPRGKRZSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001038772650 850010377 /nfs/dbraw/zinc/01/03/77/850010377.db2.gz CCYNYPKYCPXMER-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001038772650 850010387 /nfs/dbraw/zinc/01/03/87/850010387.db2.gz CCYNYPKYCPXMER-ZDUSSCGKSA-N 1 2 268.320 0.772 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038809922 850023621 /nfs/dbraw/zinc/02/36/21/850023621.db2.gz ZNNKMIQUDNTGRJ-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038809922 850023627 /nfs/dbraw/zinc/02/36/27/850023627.db2.gz ZNNKMIQUDNTGRJ-ZDUSSCGKSA-N 1 2 272.352 0.921 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001038910220 850081596 /nfs/dbraw/zinc/08/15/96/850081596.db2.gz YSULAQSAOICAGG-YPMHNXCESA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001038910220 850081607 /nfs/dbraw/zinc/08/16/07/850081607.db2.gz YSULAQSAOICAGG-YPMHNXCESA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038987661 850109587 /nfs/dbraw/zinc/10/95/87/850109587.db2.gz CVYZLMHDXUHERU-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038987661 850109589 /nfs/dbraw/zinc/10/95/89/850109589.db2.gz CVYZLMHDXUHERU-GFCCVEGCSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001039024836 850128230 /nfs/dbraw/zinc/12/82/30/850128230.db2.gz HGUOIZSNXSZBTN-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001039024836 850128238 /nfs/dbraw/zinc/12/82/38/850128238.db2.gz HGUOIZSNXSZBTN-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001039039624 850132741 /nfs/dbraw/zinc/13/27/41/850132741.db2.gz OGKYUDCOWMZRDC-UONOGXRCSA-N 1 2 281.400 0.474 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001039039624 850132742 /nfs/dbraw/zinc/13/27/42/850132742.db2.gz OGKYUDCOWMZRDC-UONOGXRCSA-N 1 2 281.400 0.474 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccn2CC)C1 ZINC001042667628 850728031 /nfs/dbraw/zinc/72/80/31/850728031.db2.gz VSBYEMYBHXWOFE-UHFFFAOYSA-N 1 2 260.341 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001042753385 850751057 /nfs/dbraw/zinc/75/10/57/850751057.db2.gz LLSFGMBGELGOLA-FZMZJTMJSA-N 1 2 250.342 0.742 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001042840658 850768674 /nfs/dbraw/zinc/76/86/74/850768674.db2.gz HEAXPHWSDBMILT-CYBMUJFWSA-N 1 2 293.411 0.820 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3cccnc3n2)C1 ZINC001043218369 850837128 /nfs/dbraw/zinc/83/71/28/850837128.db2.gz TZALFYGFJQNQMO-UHFFFAOYSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2cncnc2)C1 ZINC001043617963 850909085 /nfs/dbraw/zinc/90/90/85/850909085.db2.gz UOJLEOCGJHGIBA-GFCCVEGCSA-N 1 2 272.352 0.746 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001043637328 850915374 /nfs/dbraw/zinc/91/53/74/850915374.db2.gz HXUHVSPAJIKABA-CYBMUJFWSA-N 1 2 256.321 0.834 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001043997827 850981379 /nfs/dbraw/zinc/98/13/79/850981379.db2.gz KRWUABMFUQUUFJ-NEPJUHHUSA-N 1 2 279.384 0.607 20 30 CCEDLO Cc1cccn2cc(CC(=O)N(C)C3CN(CC#N)C3)[nH+]c12 ZINC001044049107 850992885 /nfs/dbraw/zinc/99/28/85/850992885.db2.gz PIOSBYYBUFLJKQ-UHFFFAOYSA-N 1 2 297.362 0.851 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(OC)nc2)C1 ZINC001044134454 851020524 /nfs/dbraw/zinc/02/05/24/851020524.db2.gz TZHCRTDIDCMYMO-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001044229376 851046425 /nfs/dbraw/zinc/04/64/25/851046425.db2.gz OGNPVZNCYSKZKZ-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001044328740 851077634 /nfs/dbraw/zinc/07/76/34/851077634.db2.gz MUENIIAWCLVQPR-GFCCVEGCSA-N 1 2 279.384 0.716 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001045993465 851343748 /nfs/dbraw/zinc/34/37/48/851343748.db2.gz WRFZUMYATCJIMM-AWEZNQCLSA-N 1 2 276.384 0.529 20 30 CCEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046015212 851353294 /nfs/dbraw/zinc/35/32/94/851353294.db2.gz MBRYSOIGDYDRJL-ZFWWWQNUSA-N 1 2 290.411 0.775 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273362 851449237 /nfs/dbraw/zinc/44/92/37/851449237.db2.gz WSRAFVHQMZONDG-CQSZACIVSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273362 851449239 /nfs/dbraw/zinc/44/92/39/851449239.db2.gz WSRAFVHQMZONDG-CQSZACIVSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286862 851453488 /nfs/dbraw/zinc/45/34/88/851453488.db2.gz GWDNNNPRKVPUDJ-CABZTGNLSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286862 851453493 /nfs/dbraw/zinc/45/34/93/851453493.db2.gz GWDNNNPRKVPUDJ-CABZTGNLSA-N 1 2 287.747 0.428 20 30 CCEDLO CCC(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047270297 851685536 /nfs/dbraw/zinc/68/55/36/851685536.db2.gz BSFDXLMERNJBAL-GJZGRUSLSA-N 1 2 287.363 0.972 20 30 CCEDLO CCC(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047270297 851685544 /nfs/dbraw/zinc/68/55/44/851685544.db2.gz BSFDXLMERNJBAL-GJZGRUSLSA-N 1 2 287.363 0.972 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C)C1 ZINC001047336976 851725476 /nfs/dbraw/zinc/72/54/76/851725476.db2.gz SDSZTXLAKUGZNC-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C)C1 ZINC001047336976 851725478 /nfs/dbraw/zinc/72/54/78/851725478.db2.gz SDSZTXLAKUGZNC-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001480884072 891552735 /nfs/dbraw/zinc/55/27/35/891552735.db2.gz OTCOXLPAZHVLDW-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001480884072 891552745 /nfs/dbraw/zinc/55/27/45/891552745.db2.gz OTCOXLPAZHVLDW-SNVBAGLBSA-N 1 2 273.764 0.313 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001047503951 851793133 /nfs/dbraw/zinc/79/31/33/851793133.db2.gz SIKKDAOCGOQYIU-KBPBESRZSA-N 1 2 288.347 0.907 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001047503951 851793136 /nfs/dbraw/zinc/79/31/36/851793136.db2.gz SIKKDAOCGOQYIU-KBPBESRZSA-N 1 2 288.347 0.907 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359937 851955118 /nfs/dbraw/zinc/95/51/18/851955118.db2.gz JHLLZCQSXFEPRF-IUODEOHRSA-N 1 2 290.367 0.807 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835045 852382581 /nfs/dbraw/zinc/38/25/81/852382581.db2.gz NQUKPOVUBONILP-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ncn[nH]1 ZINC001049835045 852382591 /nfs/dbraw/zinc/38/25/91/852382591.db2.gz NQUKPOVUBONILP-RYUDHWBXSA-N 1 2 273.340 0.046 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097002842 852484445 /nfs/dbraw/zinc/48/44/45/852484445.db2.gz BMWPNXBUYIHJFQ-GUBZILKMSA-N 1 2 299.338 0.582 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1cncc(C#N)n1 ZINC001097792658 852616471 /nfs/dbraw/zinc/61/64/71/852616471.db2.gz RSEZQPWXXROMAV-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnnc1)CCO2 ZINC001053445576 852744796 /nfs/dbraw/zinc/74/47/96/852744796.db2.gz OCSRSAPPRTWVCU-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCO[C@H]1C)CCO2 ZINC001053486699 852749208 /nfs/dbraw/zinc/74/92/08/852749208.db2.gz ZRDOUXSWNZZKMR-UONOGXRCSA-N 1 2 294.395 0.901 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)nc1 ZINC001053512419 852753884 /nfs/dbraw/zinc/75/38/84/852753884.db2.gz QCMAMTAEGXTNDT-UHFFFAOYSA-N 1 2 299.374 0.998 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncccc1C)CO2 ZINC001053770293 852814782 /nfs/dbraw/zinc/81/47/82/852814782.db2.gz OBCHAAJEUPCRLN-CQSZACIVSA-N 1 2 299.374 0.986 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053774172 852815124 /nfs/dbraw/zinc/81/51/24/852815124.db2.gz UOVWHWHATAJTOT-LLVKDONJSA-N 1 2 274.324 0.479 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccns1)CO2 ZINC001053820964 852827986 /nfs/dbraw/zinc/82/79/86/852827986.db2.gz RLGRRFBDLLAODD-LLVKDONJSA-N 1 2 291.376 0.740 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(OC)C1)CO2 ZINC001053842328 852832395 /nfs/dbraw/zinc/83/23/95/852832395.db2.gz JEOFCWVQJVQUCM-ROKHWSDSSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)nn1 ZINC001053949395 852852968 /nfs/dbraw/zinc/85/29/68/852852968.db2.gz GEBBYAADVBUHJH-NSHDSACASA-N 1 2 291.355 0.057 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnc[nH]1)CO2 ZINC001053959658 852854963 /nfs/dbraw/zinc/85/49/63/852854963.db2.gz DIHLJTODCQFFMM-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncn[nH]1)CO2 ZINC001053959658 852854970 /nfs/dbraw/zinc/85/49/70/852854970.db2.gz DIHLJTODCQFFMM-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc[nH]n1)CO2 ZINC001053959658 852854976 /nfs/dbraw/zinc/85/49/76/852854976.db2.gz DIHLJTODCQFFMM-NSHDSACASA-N 1 2 291.355 0.344 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 ZINC001097974946 853060737 /nfs/dbraw/zinc/06/07/37/853060737.db2.gz DZSBHUJEFXVZRH-VIFPVBQESA-N 1 2 299.338 0.539 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001050800155 853439186 /nfs/dbraw/zinc/43/91/86/853439186.db2.gz RGOWUFPKILYRRG-CQSZACIVSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001050800155 853439188 /nfs/dbraw/zinc/43/91/88/853439188.db2.gz RGOWUFPKILYRRG-CQSZACIVSA-N 1 2 291.351 0.327 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001050805453 853441211 /nfs/dbraw/zinc/44/12/11/853441211.db2.gz LMMXWKOPBSJEHE-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001050805453 853441215 /nfs/dbraw/zinc/44/12/15/853441215.db2.gz LMMXWKOPBSJEHE-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1N ZINC001050886321 853474320 /nfs/dbraw/zinc/47/43/20/853474320.db2.gz UJVAJNTZDWUAJC-LLVKDONJSA-N 1 2 293.371 0.009 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)c1N ZINC001050886321 853474329 /nfs/dbraw/zinc/47/43/29/853474329.db2.gz UJVAJNTZDWUAJC-LLVKDONJSA-N 1 2 293.371 0.009 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC001050887461 853476522 /nfs/dbraw/zinc/47/65/22/853476522.db2.gz FLMCQUSRXYSQLS-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncnc1 ZINC001050887461 853476524 /nfs/dbraw/zinc/47/65/24/853476524.db2.gz FLMCQUSRXYSQLS-ZDUSSCGKSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001050899759 853480189 /nfs/dbraw/zinc/48/01/89/853480189.db2.gz BKYCUABOPXIRGN-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001050899759 853480190 /nfs/dbraw/zinc/48/01/90/853480190.db2.gz BKYCUABOPXIRGN-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001050970385 853497286 /nfs/dbraw/zinc/49/72/86/853497286.db2.gz DTQWZTVDQXEXSE-MOKVOYLWSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001050970385 853497290 /nfs/dbraw/zinc/49/72/90/853497290.db2.gz DTQWZTVDQXEXSE-MOKVOYLWSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001051245585 853553804 /nfs/dbraw/zinc/55/38/04/853553804.db2.gz PFNLVAFIXSTQNE-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001051245585 853553808 /nfs/dbraw/zinc/55/38/08/853553808.db2.gz PFNLVAFIXSTQNE-GFCCVEGCSA-N 1 2 278.356 0.427 20 30 CCEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3)C2)CC1 ZINC001051971539 853667971 /nfs/dbraw/zinc/66/79/71/853667971.db2.gz VOVWVGZAGSODIQ-HNNXBMFYSA-N 1 2 299.378 0.437 20 30 CCEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001051991535 853671025 /nfs/dbraw/zinc/67/10/25/853671025.db2.gz JBEWVJCGCDHQOZ-GJZGRUSLSA-N 1 2 293.411 0.263 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051997098 853671135 /nfs/dbraw/zinc/67/11/35/853671135.db2.gz ZKJKMMPWNWEMCW-GFCCVEGCSA-N 1 2 289.339 0.030 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001052005541 853673750 /nfs/dbraw/zinc/67/37/50/853673750.db2.gz DCIQBVGIHJYTOR-GDBMZVCRSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052062477 853679653 /nfs/dbraw/zinc/67/96/53/853679653.db2.gz KJONQECPFWKIFN-BZUAXINKSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058931 853882892 /nfs/dbraw/zinc/88/28/92/853882892.db2.gz GQBRABRVGMSMGL-QWRGUYRKSA-N 1 2 276.340 0.740 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](n2ccnn2)C1 ZINC001069889521 853994615 /nfs/dbraw/zinc/99/46/15/853994615.db2.gz ASABKZXBFBHYJY-NEPJUHHUSA-N 1 2 293.346 0.391 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](n2ccnn2)C1 ZINC001069889521 853994618 /nfs/dbraw/zinc/99/46/18/853994618.db2.gz ASABKZXBFBHYJY-NEPJUHHUSA-N 1 2 293.346 0.391 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(C)C)CC1 ZINC001070940687 854106508 /nfs/dbraw/zinc/10/65/08/854106508.db2.gz REFJWIMECYZBNC-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(C)C)CC1 ZINC001070940687 854106511 /nfs/dbraw/zinc/10/65/11/854106511.db2.gz REFJWIMECYZBNC-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)OC)CC1 ZINC001070943106 854106882 /nfs/dbraw/zinc/10/68/82/854106882.db2.gz AMQKOLPFWJAOFN-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)OC)CC1 ZINC001070943106 854106886 /nfs/dbraw/zinc/10/68/86/854106886.db2.gz AMQKOLPFWJAOFN-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO CC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 ZINC001071258522 854144309 /nfs/dbraw/zinc/14/43/09/854144309.db2.gz JPECEBMAYGEOHD-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO CC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 ZINC001071258522 854144313 /nfs/dbraw/zinc/14/43/13/854144313.db2.gz JPECEBMAYGEOHD-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071497159 854221329 /nfs/dbraw/zinc/22/13/29/854221329.db2.gz CYCHKADUXZEUMG-CMPLNLGQSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)CC[C@@H]1C ZINC001071497159 854221339 /nfs/dbraw/zinc/22/13/39/854221339.db2.gz CYCHKADUXZEUMG-CMPLNLGQSA-N 1 2 275.356 0.258 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001072551513 854414141 /nfs/dbraw/zinc/41/41/41/854414141.db2.gz GGLGPXANGAMILI-SNVBAGLBSA-N 1 2 275.312 0.264 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001072551513 854414149 /nfs/dbraw/zinc/41/41/49/854414149.db2.gz GGLGPXANGAMILI-SNVBAGLBSA-N 1 2 275.312 0.264 20 30 CCEDLO Cc1noc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072553370 854414280 /nfs/dbraw/zinc/41/42/80/854414280.db2.gz YKHFDLZHZAKEQH-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072553370 854414292 /nfs/dbraw/zinc/41/42/92/854414292.db2.gz YKHFDLZHZAKEQH-JTQLQIEISA-N 1 2 289.339 0.572 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074312045 854709299 /nfs/dbraw/zinc/70/92/99/854709299.db2.gz GKRGATDBXNLGFY-ZIAGYGMSSA-N 1 2 296.411 0.883 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074312045 854709304 /nfs/dbraw/zinc/70/93/04/854709304.db2.gz GKRGATDBXNLGFY-ZIAGYGMSSA-N 1 2 296.411 0.883 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098591706 854871381 /nfs/dbraw/zinc/87/13/81/854871381.db2.gz MQUWZLOFQGBACD-LLVKDONJSA-N 1 2 297.309 0.430 20 30 CCEDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccncc1C#N ZINC001100556567 855187100 /nfs/dbraw/zinc/18/71/00/855187100.db2.gz WSBDMLSNEFSUDV-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)c1nccn12 ZINC001101617124 855327151 /nfs/dbraw/zinc/32/71/51/855327151.db2.gz KSQMCXWYYNRSRV-NWDGAFQWSA-N 1 2 285.351 0.801 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538630 855444216 /nfs/dbraw/zinc/44/42/16/855444216.db2.gz LRPHWPMZFCZDME-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]C[C@H](C#N)CCC#N ZINC001118091317 856156509 /nfs/dbraw/zinc/15/65/09/856156509.db2.gz WDPFTHVSFWAWEH-NSHDSACASA-N 1 2 255.343 0.620 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCNC2=O)CC1 ZINC001119266168 856604198 /nfs/dbraw/zinc/60/41/98/856604198.db2.gz YYKLEZDEKQQIIS-JTQLQIEISA-N 1 2 252.314 0.316 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001119345061 856643717 /nfs/dbraw/zinc/64/37/17/856643717.db2.gz FGIQBFQZQMMZAL-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001119345061 856643723 /nfs/dbraw/zinc/64/37/23/856643723.db2.gz FGIQBFQZQMMZAL-QWHCGFSZSA-N 1 2 285.388 0.333 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001323372476 912299131 /nfs/dbraw/zinc/29/91/31/912299131.db2.gz XZCPQJFCLZQJTN-ZFWWWQNUSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001323372476 912299142 /nfs/dbraw/zinc/29/91/42/912299142.db2.gz XZCPQJFCLZQJTN-ZFWWWQNUSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001328114899 914976156 /nfs/dbraw/zinc/97/61/56/914976156.db2.gz SXCRIBIQBZBACA-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001324590198 912920417 /nfs/dbraw/zinc/92/04/17/912920417.db2.gz VHRYFZHSEXHGHM-CQSZACIVSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001324590198 912920427 /nfs/dbraw/zinc/92/04/27/912920427.db2.gz VHRYFZHSEXHGHM-CQSZACIVSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001324590625 912922026 /nfs/dbraw/zinc/92/20/26/912922026.db2.gz WETDIQIYYZNXDM-AWEZNQCLSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001324590625 912922048 /nfs/dbraw/zinc/92/20/48/912922048.db2.gz WETDIQIYYZNXDM-AWEZNQCLSA-N 1 2 293.371 0.155 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001325201982 913273571 /nfs/dbraw/zinc/27/35/71/913273571.db2.gz SFRCYWFXYBUXAD-AATRIKPKSA-N 1 2 275.352 0.767 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001325207353 913279500 /nfs/dbraw/zinc/27/95/00/913279500.db2.gz JJVPDNKXJHZLGF-UHFFFAOYSA-N 1 2 264.369 0.609 20 30 CCEDLO CC(C)N(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H](C)C#N ZINC001394802163 913441596 /nfs/dbraw/zinc/44/15/96/913441596.db2.gz RNWROFVJRGZWFX-LBPRGKRZSA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)N(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H](C)C#N ZINC001394802163 913441602 /nfs/dbraw/zinc/44/16/02/913441602.db2.gz RNWROFVJRGZWFX-LBPRGKRZSA-N 1 2 294.399 0.593 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(=O)NCC)C1 ZINC001417931314 891684639 /nfs/dbraw/zinc/68/46/39/891684639.db2.gz DGRATKWLNIETST-NSHDSACASA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(=O)NCC)C1 ZINC001417931314 891684649 /nfs/dbraw/zinc/68/46/49/891684649.db2.gz DGRATKWLNIETST-NSHDSACASA-N 1 2 287.791 0.846 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001480938460 891900854 /nfs/dbraw/zinc/90/08/54/891900854.db2.gz IWWPMCDTDIRIFJ-HDJSIYSDSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001480938460 891900867 /nfs/dbraw/zinc/90/08/67/891900867.db2.gz IWWPMCDTDIRIFJ-HDJSIYSDSA-N 1 2 293.411 0.610 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001395428208 913614409 /nfs/dbraw/zinc/61/44/09/913614409.db2.gz TWKNVSKLCDXTMA-SRVKXCTJSA-N 1 2 289.339 0.054 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001481041033 892107631 /nfs/dbraw/zinc/10/76/31/892107631.db2.gz XIWJXGMIBITZRA-AWEZNQCLSA-N 1 2 291.351 0.795 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001481041033 892107640 /nfs/dbraw/zinc/10/76/40/892107640.db2.gz XIWJXGMIBITZRA-AWEZNQCLSA-N 1 2 291.351 0.795 20 30 CCEDLO CC#CCCCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001481267815 892461491 /nfs/dbraw/zinc/46/14/91/892461491.db2.gz KAUHPSDBKADDKY-UHFFFAOYSA-N 1 2 264.329 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2nc[nH]n2)C1 ZINC001481407166 892618360 /nfs/dbraw/zinc/61/83/60/892618360.db2.gz PWRNLRXIEWICRW-NSHDSACASA-N 1 2 261.329 0.364 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2nc[nH]n2)C1 ZINC001481407166 892618363 /nfs/dbraw/zinc/61/83/63/892618363.db2.gz PWRNLRXIEWICRW-NSHDSACASA-N 1 2 261.329 0.364 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001481524838 892769773 /nfs/dbraw/zinc/76/97/73/892769773.db2.gz DVRGAWDWUJVVTE-NEPJUHHUSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001481524838 892769782 /nfs/dbraw/zinc/76/97/82/892769782.db2.gz DVRGAWDWUJVVTE-NEPJUHHUSA-N 1 2 292.383 0.253 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2conc2C)C1 ZINC001481528071 892778659 /nfs/dbraw/zinc/77/86/59/892778659.db2.gz GYKBYAOTXYGKCJ-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2conc2C)C1 ZINC001481528071 892778670 /nfs/dbraw/zinc/77/86/70/892778670.db2.gz GYKBYAOTXYGKCJ-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H](C)SC)C1 ZINC001481621819 892920531 /nfs/dbraw/zinc/92/05/31/892920531.db2.gz UHUOQMOJPFFIEV-NSHDSACASA-N 1 2 299.440 0.478 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001481636010 892942265 /nfs/dbraw/zinc/94/22/65/892942265.db2.gz AWGHAWDCWIIHLD-UHFFFAOYSA-N 1 2 275.356 0.199 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1ccncc1 ZINC001481680267 892996583 /nfs/dbraw/zinc/99/65/83/892996583.db2.gz VLSFQXKIWTZTOB-GJZGRUSLSA-N 1 2 285.347 0.517 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1ccncc1 ZINC001481680267 892996588 /nfs/dbraw/zinc/99/65/88/892996588.db2.gz VLSFQXKIWTZTOB-GJZGRUSLSA-N 1 2 285.347 0.517 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001481697267 893018823 /nfs/dbraw/zinc/01/88/23/893018823.db2.gz TVEULAISTCTQAN-INIZCTEOSA-N 1 2 285.391 0.942 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001481697267 893018843 /nfs/dbraw/zinc/01/88/43/893018843.db2.gz TVEULAISTCTQAN-INIZCTEOSA-N 1 2 285.391 0.942 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001481697656 893019402 /nfs/dbraw/zinc/01/94/02/893019402.db2.gz UFTAKTWZRRHBHI-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001481697656 893019419 /nfs/dbraw/zinc/01/94/19/893019419.db2.gz UFTAKTWZRRHBHI-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001496679325 893464968 /nfs/dbraw/zinc/46/49/68/893464968.db2.gz JNXGUWNSFLAYRA-GFCCVEGCSA-N 1 2 289.383 0.879 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001496679325 893464974 /nfs/dbraw/zinc/46/49/74/893464974.db2.gz JNXGUWNSFLAYRA-GFCCVEGCSA-N 1 2 289.383 0.879 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001482200605 893527516 /nfs/dbraw/zinc/52/75/16/893527516.db2.gz UMXFLGFYWPBTHX-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001482200605 893527523 /nfs/dbraw/zinc/52/75/23/893527523.db2.gz UMXFLGFYWPBTHX-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001482200605 893527539 /nfs/dbraw/zinc/52/75/39/893527539.db2.gz UMXFLGFYWPBTHX-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001482200605 893527556 /nfs/dbraw/zinc/52/75/56/893527556.db2.gz UMXFLGFYWPBTHX-ZDUSSCGKSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001482766203 894582230 /nfs/dbraw/zinc/58/22/30/894582230.db2.gz IZEOMANYEZFUIG-NSHDSACASA-N 1 2 296.396 0.461 20 30 CCEDLO CCN(CCNCC#N)C(=O)Cc1c[nH+]ccc1OC ZINC001482930200 894704322 /nfs/dbraw/zinc/70/43/22/894704322.db2.gz DXOKQXQMGRTSEM-UHFFFAOYSA-N 1 2 276.340 0.594 20 30 CCEDLO CC(C)(C)C#CC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483007442 894797141 /nfs/dbraw/zinc/79/71/41/894797141.db2.gz LHQTUKKYCDMSRY-SNAWJCMRSA-N 1 2 276.340 0.881 20 30 CCEDLO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1[nH]nc(C)c1C ZINC001483214988 895118657 /nfs/dbraw/zinc/11/86/57/895118657.db2.gz DALKOMGBMRWFQX-VIFPVBQESA-N 1 2 293.371 0.037 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001483637070 895766033 /nfs/dbraw/zinc/76/60/33/895766033.db2.gz YQBQWCNLNWSNME-OBFMZJQYSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001483637070 895766051 /nfs/dbraw/zinc/76/60/51/895766051.db2.gz YQBQWCNLNWSNME-OBFMZJQYSA-N 1 2 291.395 0.671 20 30 CCEDLO CCn1ccnc1C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001483644732 895784907 /nfs/dbraw/zinc/78/49/07/895784907.db2.gz BCXYJRNXCPBHKC-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1ccnc1C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001483644732 895784919 /nfs/dbraw/zinc/78/49/19/895784919.db2.gz BCXYJRNXCPBHKC-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)N1CCCC1=O ZINC001483705300 895886569 /nfs/dbraw/zinc/88/65/69/895886569.db2.gz OHQGDJASCIOYKM-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)N1CCCC1=O ZINC001483705300 895886574 /nfs/dbraw/zinc/88/65/74/895886574.db2.gz OHQGDJASCIOYKM-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO O=S1(=O)N/C(=N/CC[NH+]2CCC2)c2ccccc21 ZINC000829323887 895991116 /nfs/dbraw/zinc/99/11/16/895991116.db2.gz ZFTPZUONAUFLOX-UHFFFAOYSA-N 1 2 265.338 0.431 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)OCC)C1 ZINC001484260813 896300731 /nfs/dbraw/zinc/30/07/31/896300731.db2.gz SHKOAGQYFDIDOL-NSHDSACASA-N 1 2 256.346 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cscn2)C1 ZINC001484429817 896397721 /nfs/dbraw/zinc/39/77/21/896397721.db2.gz FQXXJSPRMGPDJF-CYBMUJFWSA-N 1 2 279.365 0.333 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cscn2)C1 ZINC001484429817 896397740 /nfs/dbraw/zinc/39/77/40/896397740.db2.gz FQXXJSPRMGPDJF-CYBMUJFWSA-N 1 2 279.365 0.333 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](O)C(C)C)O2 ZINC001484781475 896596463 /nfs/dbraw/zinc/59/64/63/896596463.db2.gz GVWNBQPAVIWWDW-ZIAGYGMSSA-N 1 2 296.411 0.929 20 30 CCEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC001485003893 896711743 /nfs/dbraw/zinc/71/17/43/896711743.db2.gz HLFBONJLTQEJOD-AWEZNQCLSA-N 1 2 285.347 0.211 20 30 CCEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O ZINC001485003893 896711755 /nfs/dbraw/zinc/71/17/55/896711755.db2.gz HLFBONJLTQEJOD-AWEZNQCLSA-N 1 2 285.347 0.211 20 30 CCEDLO C[C@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001485204956 896861913 /nfs/dbraw/zinc/86/19/13/896861913.db2.gz NFSLFQXOEHKANU-QWRGUYRKSA-N 1 2 298.350 0.973 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031876760 897110903 /nfs/dbraw/zinc/11/09/03/897110903.db2.gz DDSLLVDLOTXVKD-LBPRGKRZSA-N 1 2 299.802 0.703 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032378972 897367546 /nfs/dbraw/zinc/36/75/46/897367546.db2.gz BEXNHNZBFHDLGK-QWRGUYRKSA-N 1 2 259.313 0.151 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869973 897402277 /nfs/dbraw/zinc/40/22/77/897402277.db2.gz LJPWRUKCSLJFCC-UKRRQHHQSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCO2)C1 ZINC001107869973 897402283 /nfs/dbraw/zinc/40/22/83/897402283.db2.gz LJPWRUKCSLJFCC-UKRRQHHQSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107890597 897444851 /nfs/dbraw/zinc/44/48/51/897444851.db2.gz QQMLEKBWTFJCMJ-OAHLLOKOSA-N 1 2 280.368 0.726 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2=CCOCC2)C1 ZINC001107890597 897444856 /nfs/dbraw/zinc/44/48/56/897444856.db2.gz QQMLEKBWTFJCMJ-OAHLLOKOSA-N 1 2 280.368 0.726 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccncc1C ZINC001032405559 897469651 /nfs/dbraw/zinc/46/96/51/897469651.db2.gz IWBUGKVKIZVYSN-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccncc1C ZINC001032405559 897469662 /nfs/dbraw/zinc/46/96/62/897469662.db2.gz IWBUGKVKIZVYSN-GJZGRUSLSA-N 1 2 269.348 0.851 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nccc(C)n2)C1 ZINC001107906068 897476175 /nfs/dbraw/zinc/47/61/75/897476175.db2.gz HGSKDJSSCJQGJN-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nccc(C)n2)C1 ZINC001107906068 897476187 /nfs/dbraw/zinc/47/61/87/897476187.db2.gz HGSKDJSSCJQGJN-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001107937664 897522830 /nfs/dbraw/zinc/52/28/30/897522830.db2.gz BCQTZGBDXLXQKM-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001107937664 897522836 /nfs/dbraw/zinc/52/28/36/897522836.db2.gz BCQTZGBDXLXQKM-HNNXBMFYSA-N 1 2 292.383 0.356 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nccn2C1 ZINC001032483375 897636173 /nfs/dbraw/zinc/63/61/73/897636173.db2.gz ODMQMSCPFSTUSD-RDBSUJKOSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nccn2C1 ZINC001032483375 897636181 /nfs/dbraw/zinc/63/61/81/897636181.db2.gz ODMQMSCPFSTUSD-RDBSUJKOSA-N 1 2 284.363 0.364 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccnc1 ZINC001032502600 897660815 /nfs/dbraw/zinc/66/08/15/897660815.db2.gz KWGYLECGYDUIHX-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccnc1 ZINC001032502600 897660818 /nfs/dbraw/zinc/66/08/18/897660818.db2.gz KWGYLECGYDUIHX-GJZGRUSLSA-N 1 2 269.348 0.933 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)nc1C ZINC001032511116 897675748 /nfs/dbraw/zinc/67/57/48/897675748.db2.gz SXBCEWYXQJCNTO-KBPBESRZSA-N 1 2 284.363 0.934 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)nc1C ZINC001032511116 897675758 /nfs/dbraw/zinc/67/57/58/897675758.db2.gz SXBCEWYXQJCNTO-KBPBESRZSA-N 1 2 284.363 0.934 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)n(C)n1 ZINC001032512437 897680537 /nfs/dbraw/zinc/68/05/37/897680537.db2.gz QXIMASMAAZYCEL-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)n(C)n1 ZINC001032512437 897680539 /nfs/dbraw/zinc/68/05/39/897680539.db2.gz QXIMASMAAZYCEL-RYUDHWBXSA-N 1 2 288.351 0.351 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1OC ZINC001032589301 897782033 /nfs/dbraw/zinc/78/20/33/897782033.db2.gz LQXRPQWGOUNXOQ-STQMWFEESA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1OC ZINC001032589301 897782039 /nfs/dbraw/zinc/78/20/39/897782039.db2.gz LQXRPQWGOUNXOQ-STQMWFEESA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(OC)cc[nH]c1=O ZINC001032736119 898035888 /nfs/dbraw/zinc/03/58/88/898035888.db2.gz WOBUVGDPNKOTOP-QWRGUYRKSA-N 1 2 287.319 0.328 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(OC)cc[nH]c1=O ZINC001032736119 898035904 /nfs/dbraw/zinc/03/59/04/898035904.db2.gz WOBUVGDPNKOTOP-QWRGUYRKSA-N 1 2 287.319 0.328 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nn1 ZINC001032737186 898041756 /nfs/dbraw/zinc/04/17/56/898041756.db2.gz ILHOJXAEKUMJDG-STQMWFEESA-N 1 2 299.378 0.465 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nn1 ZINC001032737186 898041765 /nfs/dbraw/zinc/04/17/65/898041765.db2.gz ILHOJXAEKUMJDG-STQMWFEESA-N 1 2 299.378 0.465 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C=C(C)C ZINC001272832904 898050449 /nfs/dbraw/zinc/05/04/49/898050449.db2.gz AOMBKEPZMGLARW-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C=C(C)C ZINC001272832904 898050455 /nfs/dbraw/zinc/05/04/55/898050455.db2.gz AOMBKEPZMGLARW-CYBMUJFWSA-N 1 2 250.342 0.793 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001077949990 898101124 /nfs/dbraw/zinc/10/11/24/898101124.db2.gz YOHVSCSDUZKHEU-GHMZBOCLSA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001077949990 898101133 /nfs/dbraw/zinc/10/11/33/898101133.db2.gz YOHVSCSDUZKHEU-GHMZBOCLSA-N 1 2 279.340 0.506 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001032783293 898183641 /nfs/dbraw/zinc/18/36/41/898183641.db2.gz ZHYARXMMQQGAFQ-STQMWFEESA-N 1 2 295.346 0.798 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001032783293 898183643 /nfs/dbraw/zinc/18/36/43/898183643.db2.gz ZHYARXMMQQGAFQ-STQMWFEESA-N 1 2 295.346 0.798 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001078047128 898205073 /nfs/dbraw/zinc/20/50/73/898205073.db2.gz CTHQVWQDNYLASN-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001078047128 898205090 /nfs/dbraw/zinc/20/50/90/898205090.db2.gz CTHQVWQDNYLASN-CHWSQXEVSA-N 1 2 278.739 0.748 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(=O)NC)c1 ZINC001032792646 898264392 /nfs/dbraw/zinc/26/43/92/898264392.db2.gz IISNHEQFWJHFKS-GJZGRUSLSA-N 1 2 297.358 0.578 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(=O)NC)c1 ZINC001032792646 898264408 /nfs/dbraw/zinc/26/44/08/898264408.db2.gz IISNHEQFWJHFKS-GJZGRUSLSA-N 1 2 297.358 0.578 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001078189486 898286475 /nfs/dbraw/zinc/28/64/75/898286475.db2.gz UCFCQXRCKAOYLZ-DGCLKSJQSA-N 1 2 295.770 0.570 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001078189486 898286490 /nfs/dbraw/zinc/28/64/90/898286490.db2.gz UCFCQXRCKAOYLZ-DGCLKSJQSA-N 1 2 295.770 0.570 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001485857012 898465149 /nfs/dbraw/zinc/46/51/49/898465149.db2.gz WOTSUNZDQXFUBY-SNVBAGLBSA-N 1 2 282.344 0.517 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001486000232 898563718 /nfs/dbraw/zinc/56/37/18/898563718.db2.gz NODQRCPZRYBRCM-ZYHUDNBSSA-N 1 2 295.387 0.597 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCn2cccn2)CC1 ZINC001113648511 899801697 /nfs/dbraw/zinc/80/16/97/899801697.db2.gz ZOVCVAZBGAJEKX-UHFFFAOYSA-N 1 2 262.357 0.994 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC001488680349 900342499 /nfs/dbraw/zinc/34/24/99/900342499.db2.gz ZONQRVKGGUBAAM-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC001488680349 900342508 /nfs/dbraw/zinc/34/25/08/900342508.db2.gz ZONQRVKGGUBAAM-CYBMUJFWSA-N 1 2 291.351 0.779 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490432180 900626053 /nfs/dbraw/zinc/62/60/53/900626053.db2.gz DVRGAWDWUJVVTE-RYUDHWBXSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490432180 900626057 /nfs/dbraw/zinc/62/60/57/900626057.db2.gz DVRGAWDWUJVVTE-RYUDHWBXSA-N 1 2 292.383 0.253 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001490494644 900640747 /nfs/dbraw/zinc/64/07/47/900640747.db2.gz MKCUCKWWYOMXDH-BZUAXINKSA-N 1 2 289.423 0.790 20 30 CCEDLO C/C(=C/C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001490524483 900659637 /nfs/dbraw/zinc/65/96/37/900659637.db2.gz IATTYVYMBITLSM-ZWXCPPHNSA-N 1 2 290.367 0.173 20 30 CCEDLO C/C(=C/C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001490524483 900659643 /nfs/dbraw/zinc/65/96/43/900659643.db2.gz IATTYVYMBITLSM-ZWXCPPHNSA-N 1 2 290.367 0.173 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)n1C ZINC001411378180 900927954 /nfs/dbraw/zinc/92/79/54/900927954.db2.gz HUYSOQVGELJZFU-LBPRGKRZSA-N 1 2 290.367 0.689 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)OCC)O2 ZINC001327343850 914490662 /nfs/dbraw/zinc/49/06/62/914490662.db2.gz JHILIVLMEFCIKE-STQMWFEESA-N 1 2 282.384 0.947 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001327381279 914509916 /nfs/dbraw/zinc/50/99/16/914509916.db2.gz YRNQYVAVJBMNCR-NEPJUHHUSA-N 1 2 261.325 0.129 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCCOC)CO2 ZINC001280934879 904174769 /nfs/dbraw/zinc/17/47/69/904174769.db2.gz JJMFNWVXMDXZPS-CQSZACIVSA-N 1 2 294.395 0.786 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001280983854 904191773 /nfs/dbraw/zinc/19/17/73/904191773.db2.gz IRHPAHVYYPIRIM-LBPRGKRZSA-N 1 2 278.356 0.812 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282100872 904411929 /nfs/dbraw/zinc/41/19/29/904411929.db2.gz YZEFWCULZHMMPS-UWVGGRQHSA-N 1 2 266.349 0.159 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001282444656 904478704 /nfs/dbraw/zinc/47/87/04/904478704.db2.gz VCEXLIHHHGUEAR-NXEZZACHSA-N 1 2 273.764 0.312 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001282444656 904478710 /nfs/dbraw/zinc/47/87/10/904478710.db2.gz VCEXLIHHHGUEAR-NXEZZACHSA-N 1 2 273.764 0.312 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)C1 ZINC001282537487 904504658 /nfs/dbraw/zinc/50/46/58/904504658.db2.gz FIBNUBJDBZSOCC-GFCCVEGCSA-N 1 2 282.384 0.277 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001336982916 921140105 /nfs/dbraw/zinc/14/01/05/921140105.db2.gz RYEKIWSUUUSJCR-CYDGBPFRSA-N 1 2 296.367 0.507 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001293008741 906384343 /nfs/dbraw/zinc/38/43/43/906384343.db2.gz DMCYGOOMYAZZPW-STQMWFEESA-N 1 2 292.383 0.964 20 30 CCEDLO Cc1cccc(C[NH+]2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 ZINC001380581754 906838135 /nfs/dbraw/zinc/83/81/35/906838135.db2.gz PHLISCKEAOFHQV-CYBMUJFWSA-N 1 2 287.363 0.818 20 30 CCEDLO C=C(C)CCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001297067345 907014812 /nfs/dbraw/zinc/01/48/12/907014812.db2.gz MCFHLJMHMIHKBW-UHFFFAOYSA-N 1 2 276.340 0.566 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001381084363 907067697 /nfs/dbraw/zinc/06/76/97/907067697.db2.gz SPDBLGRMLFMBCT-RYUDHWBXSA-N 1 2 288.355 0.069 20 30 CCEDLO C#CCCCC(=O)N[C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001297497201 907085563 /nfs/dbraw/zinc/08/55/63/907085563.db2.gz ZDNJDLZUCVKYPK-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001298231526 907191777 /nfs/dbraw/zinc/19/17/77/907191777.db2.gz KPNFZMIWUJIFLS-GFCCVEGCSA-N 1 2 252.277 0.614 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001316974870 908709592 /nfs/dbraw/zinc/70/95/92/908709592.db2.gz GVEQNMFJDGULJS-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001316974870 908709602 /nfs/dbraw/zinc/70/96/02/908709602.db2.gz GVEQNMFJDGULJS-LLVKDONJSA-N 1 2 293.323 0.137 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001316978518 908710381 /nfs/dbraw/zinc/71/03/81/908710381.db2.gz YWJNWZUJHCPVMO-OLZOCXBDSA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001316978518 908710398 /nfs/dbraw/zinc/71/03/98/908710398.db2.gz YWJNWZUJHCPVMO-OLZOCXBDSA-N 1 2 291.351 0.712 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001316967210 908879896 /nfs/dbraw/zinc/87/98/96/908879896.db2.gz VOGSBXDQNSIREL-HNNXBMFYSA-N 1 2 290.411 0.990 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001316985791 908903616 /nfs/dbraw/zinc/90/36/16/908903616.db2.gz NGUHVWQQQJRYPP-GFCCVEGCSA-N 1 2 277.372 0.862 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001316985791 908903626 /nfs/dbraw/zinc/90/36/26/908903626.db2.gz NGUHVWQQQJRYPP-GFCCVEGCSA-N 1 2 277.372 0.862 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001317116322 908991882 /nfs/dbraw/zinc/99/18/82/908991882.db2.gz NMAZPKMXJWKPHM-PHIMTYICSA-N 1 2 261.329 0.113 20 30 CCEDLO C[C@@H](CC(=O)N[C@H]1C[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC001317120777 908993580 /nfs/dbraw/zinc/99/35/80/908993580.db2.gz HMKIGPXFUQNVSZ-SDDRHHMPSA-N 1 2 261.329 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001387090701 909031736 /nfs/dbraw/zinc/03/17/36/909031736.db2.gz ZPSDLLPZPLYLED-GHMZBOCLSA-N 1 2 291.355 0.133 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)CC1(C)CC1 ZINC001317455705 909231930 /nfs/dbraw/zinc/23/19/30/909231930.db2.gz UCMDBUARXPOSHV-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)CC1(C)CC1 ZINC001317455705 909231946 /nfs/dbraw/zinc/23/19/46/909231946.db2.gz UCMDBUARXPOSHV-UHFFFAOYSA-N 1 2 267.373 0.527 20 30 CCEDLO CC(C)C#CC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001318020715 909582157 /nfs/dbraw/zinc/58/21/57/909582157.db2.gz YYGLKPMSMTVXEK-ZDUSSCGKSA-N 1 2 287.367 0.225 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001318166103 909649644 /nfs/dbraw/zinc/64/96/44/909649644.db2.gz YJKZPFWZROSLIJ-KBPBESRZSA-N 1 2 293.411 0.629 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001318266023 909682501 /nfs/dbraw/zinc/68/25/01/909682501.db2.gz LQBHFPTUBQGUDI-DVOMOZLQSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001318266023 909682511 /nfs/dbraw/zinc/68/25/11/909682511.db2.gz LQBHFPTUBQGUDI-DVOMOZLQSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001318281793 909686742 /nfs/dbraw/zinc/68/67/42/909686742.db2.gz PAFYFNWYSQJOEC-JTQLQIEISA-N 1 2 253.346 0.265 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001318281793 909686750 /nfs/dbraw/zinc/68/67/50/909686750.db2.gz PAFYFNWYSQJOEC-JTQLQIEISA-N 1 2 253.346 0.265 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001318351907 909723950 /nfs/dbraw/zinc/72/39/50/909723950.db2.gz YRXDWUNABQSDIG-SECBINFHSA-N 1 2 271.748 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001318351907 909723960 /nfs/dbraw/zinc/72/39/60/909723960.db2.gz YRXDWUNABQSDIG-SECBINFHSA-N 1 2 271.748 0.195 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1csnn1 ZINC001318506471 909787356 /nfs/dbraw/zinc/78/73/56/909787356.db2.gz KGEJJNNHHREVHI-RKDXNWHRSA-N 1 2 267.358 0.682 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001319312069 910091809 /nfs/dbraw/zinc/09/18/09/910091809.db2.gz YSMNAEXJFFZCRQ-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)CC)C1 ZINC001319312069 910091821 /nfs/dbraw/zinc/09/18/21/910091821.db2.gz YSMNAEXJFFZCRQ-QWHCGFSZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC001320032716 910424543 /nfs/dbraw/zinc/42/45/43/910424543.db2.gz ZLMHDFUCRXOERK-JTQLQIEISA-N 1 2 266.301 0.299 20 30 CCEDLO C=CCO[C@H]1CC[N@H+](Cn2cc(C(=O)OC)nn2)C1 ZINC001320032716 910424561 /nfs/dbraw/zinc/42/45/61/910424561.db2.gz ZLMHDFUCRXOERK-JTQLQIEISA-N 1 2 266.301 0.299 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001391390072 911098609 /nfs/dbraw/zinc/09/86/09/911098609.db2.gz NVWWOWULBLTKIT-RYUDHWBXSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001391390072 911098623 /nfs/dbraw/zinc/09/86/23/911098623.db2.gz NVWWOWULBLTKIT-RYUDHWBXSA-N 1 2 275.356 0.660 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001321514613 911344305 /nfs/dbraw/zinc/34/43/05/911344305.db2.gz XQTCKCFSELCSHR-SNVBAGLBSA-N 1 2 280.328 0.012 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(F)F)n2C)CC1 ZINC001339160542 921668413 /nfs/dbraw/zinc/66/84/13/921668413.db2.gz KLMRYPZFMHKSFV-UHFFFAOYSA-N 1 2 269.299 0.378 20 30 CCEDLO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001322263389 911738389 /nfs/dbraw/zinc/73/83/89/911738389.db2.gz ZFZFADXPVZAFLG-DGCLKSJQSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001322263389 911738394 /nfs/dbraw/zinc/73/83/94/911738394.db2.gz ZFZFADXPVZAFLG-DGCLKSJQSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCC=C ZINC001323231927 912208659 /nfs/dbraw/zinc/20/86/59/912208659.db2.gz MIQCSXSMYLONQE-UONOGXRCSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC=C ZINC001323231927 912208675 /nfs/dbraw/zinc/20/86/75/912208675.db2.gz MIQCSXSMYLONQE-UONOGXRCSA-N 1 2 291.395 0.671 20 30 CCEDLO C#CC[NH+]1CCC(CO)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001328531021 915258597 /nfs/dbraw/zinc/25/85/97/915258597.db2.gz UOIKISXIIIYQJC-VIFPVBQESA-N 1 2 296.264 0.463 20 30 CCEDLO N#CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCOCC1 ZINC001328679166 915355854 /nfs/dbraw/zinc/35/58/54/915355854.db2.gz NBSOFAKMJYWIHJ-UHFFFAOYSA-N 1 2 288.351 0.951 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001339633953 921783080 /nfs/dbraw/zinc/78/30/80/921783080.db2.gz LBWAUZNKIARLKK-QWRGUYRKSA-N 1 2 265.361 0.658 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001339633953 921783100 /nfs/dbraw/zinc/78/31/00/921783100.db2.gz LBWAUZNKIARLKK-QWRGUYRKSA-N 1 2 265.361 0.658 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001329668051 916110896 /nfs/dbraw/zinc/11/08/96/916110896.db2.gz OVFQTXHLKHJXFU-KBPBESRZSA-N 1 2 296.411 0.481 20 30 CCEDLO C=C(CO)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001329671693 916112855 /nfs/dbraw/zinc/11/28/55/916112855.db2.gz HPLGYTWGYDAIHD-UHFFFAOYSA-N 1 2 298.383 0.457 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](CC)C2)C1 ZINC001329695013 916132798 /nfs/dbraw/zinc/13/27/98/916132798.db2.gz RZEWIRYVFRRXQS-UHFFFAOYSA-N 1 2 252.358 0.916 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CC2)C1 ZINC001329954738 916308348 /nfs/dbraw/zinc/30/83/48/916308348.db2.gz VFGDOLSEEMJLQL-SNVBAGLBSA-N 1 2 265.357 0.135 20 30 CCEDLO N#C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCOC1 ZINC001330582232 916716558 /nfs/dbraw/zinc/71/65/58/916716558.db2.gz PIYDJVAYVQGJCK-GWCFXTLKSA-N 1 2 260.297 0.244 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]12CCC[C@H]1OCC2 ZINC001330877584 916943779 /nfs/dbraw/zinc/94/37/79/916943779.db2.gz VTIAJTLINSGAIQ-WDMOLILDSA-N 1 2 282.340 0.261 20 30 CCEDLO C=CC[C@H](OC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)OC ZINC001331093798 917082751 /nfs/dbraw/zinc/08/27/51/917082751.db2.gz KLSXDIAQZBLJHE-QWRGUYRKSA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@H](OC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)OC ZINC001331093798 917082759 /nfs/dbraw/zinc/08/27/59/917082759.db2.gz KLSXDIAQZBLJHE-QWRGUYRKSA-N 1 2 271.313 0.368 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001402660989 917159446 /nfs/dbraw/zinc/15/94/46/917159446.db2.gz FWFIMRXYBGFDQE-PWSUYJOCSA-N 1 2 290.371 0.601 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001402660989 917159456 /nfs/dbraw/zinc/15/94/56/917159456.db2.gz FWFIMRXYBGFDQE-PWSUYJOCSA-N 1 2 290.371 0.601 20 30 CCEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC001331329290 917265821 /nfs/dbraw/zinc/26/58/21/917265821.db2.gz BESWNFUZMVFTLS-SNVBAGLBSA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC001331329290 917265835 /nfs/dbraw/zinc/26/58/35/917265835.db2.gz BESWNFUZMVFTLS-SNVBAGLBSA-N 1 2 274.372 0.926 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2csc(C#N)c2)[C@@H](CO)C1 ZINC001332693472 918389151 /nfs/dbraw/zinc/38/91/51/918389151.db2.gz AVQMFWOOZBCHNR-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2csc(C#N)c2)[C@@H](CO)C1 ZINC001332693472 918389168 /nfs/dbraw/zinc/38/91/68/918389168.db2.gz AVQMFWOOZBCHNR-SNVBAGLBSA-N 1 2 265.338 0.368 20 30 CCEDLO COc1cc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)sn1 ZINC001404868794 918499927 /nfs/dbraw/zinc/49/99/27/918499927.db2.gz DKNCRZIRMDZPKP-SECBINFHSA-N 1 2 294.380 0.859 20 30 CCEDLO Cn1nncc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001333791735 919162659 /nfs/dbraw/zinc/16/26/59/919162659.db2.gz RNCHDVFARWGZCE-UHFFFAOYSA-N 1 2 262.313 0.653 20 30 CCEDLO C=CCC[C@@H](C)[NH2+]Cc1nc(CS(C)(=O)=O)n[nH]1 ZINC001333827483 919192777 /nfs/dbraw/zinc/19/27/77/919192777.db2.gz UEKWXRFGSZSGJY-SECBINFHSA-N 1 2 272.374 0.794 20 30 CCEDLO C=CCn1c(C)nnc1S(=O)(=O)CCc1c[nH+]cn1C ZINC001333934345 919256312 /nfs/dbraw/zinc/25/63/12/919256312.db2.gz KRKJJNHHNOIWHR-UHFFFAOYSA-N 1 2 295.368 0.522 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406510700 919313924 /nfs/dbraw/zinc/31/39/24/919313924.db2.gz UIKXQRPVOWUJAN-MNOVXSKESA-N 1 2 289.339 0.171 20 30 CCEDLO COc1nn(C)cc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC001335132712 919976846 /nfs/dbraw/zinc/97/68/46/919976846.db2.gz VKULQKRQUBXESS-UHFFFAOYSA-N 1 2 297.322 0.633 20 30 CCEDLO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001335454256 920203046 /nfs/dbraw/zinc/20/30/46/920203046.db2.gz WJKGBWXGUMWGKZ-SECBINFHSA-N 1 2 297.302 0.997 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC001413960354 920225180 /nfs/dbraw/zinc/22/51/80/920225180.db2.gz GBKPAYKVTQXUPK-ZUOKHONESA-N 1 2 299.440 0.037 20 30 CCEDLO C[S@@](=O)CCN1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC001413960354 920225195 /nfs/dbraw/zinc/22/51/95/920225195.db2.gz GBKPAYKVTQXUPK-ZUOKHONESA-N 1 2 299.440 0.037 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001414670494 920462667 /nfs/dbraw/zinc/46/26/67/920462667.db2.gz DCNZVHDILZPBFZ-NSHDSACASA-N 1 2 289.339 0.150 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001336321711 920719996 /nfs/dbraw/zinc/71/99/96/920719996.db2.gz YLNIZGCHCFHORW-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339776761 921824406 /nfs/dbraw/zinc/82/44/06/921824406.db2.gz ADVOARCHKKPVND-MNOVXSKESA-N 1 2 263.345 0.105 20 30 CCEDLO C#CCN(C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339776761 921824418 /nfs/dbraw/zinc/82/44/18/921824418.db2.gz ADVOARCHKKPVND-MNOVXSKESA-N 1 2 263.345 0.105 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001339947090 921891034 /nfs/dbraw/zinc/89/10/34/921891034.db2.gz FAQQGAMGALOIMD-NEPJUHHUSA-N 1 2 277.372 0.731 20 30 CCEDLO C=CCN(CC=C)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001339947090 921891038 /nfs/dbraw/zinc/89/10/38/921891038.db2.gz FAQQGAMGALOIMD-NEPJUHHUSA-N 1 2 277.372 0.731 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)O)n2CC)CC1 ZINC001340426967 922083424 /nfs/dbraw/zinc/08/34/24/922083424.db2.gz GJTYSMNQXWDZKR-UHFFFAOYSA-N 1 2 291.399 0.367 20 30 CCEDLO C#CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC001340549522 922120742 /nfs/dbraw/zinc/12/07/42/922120742.db2.gz FBPCHCXWDBYXBT-LBPRGKRZSA-N 1 2 276.340 0.258 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCCC#N)C1 ZINC001346453475 924221101 /nfs/dbraw/zinc/22/11/01/924221101.db2.gz VODODHXMOYIKHA-LBPRGKRZSA-N 1 2 252.362 0.432 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCCC#N)C1 ZINC001346453475 924221108 /nfs/dbraw/zinc/22/11/08/924221108.db2.gz VODODHXMOYIKHA-LBPRGKRZSA-N 1 2 252.362 0.432 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC001347746033 924524483 /nfs/dbraw/zinc/52/44/83/924524483.db2.gz VTAIJHVRXVCIAJ-ZDUSSCGKSA-N 1 2 262.313 0.399 20 30 CCEDLO C=CCCC(=O)N1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001348186700 924613149 /nfs/dbraw/zinc/61/31/49/924613149.db2.gz WVUZBLXRFVRWTJ-UHFFFAOYSA-N 1 2 290.367 0.898 20 30 CCEDLO Cc1onc(CC(=O)NCc2c[nH+]cn2C)c1C#N ZINC001348969194 924854492 /nfs/dbraw/zinc/85/44/92/924854492.db2.gz IOBKQILPFOXRLA-UHFFFAOYSA-N 1 2 259.269 0.447 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001479930244 924871528 /nfs/dbraw/zinc/87/15/28/924871528.db2.gz HNMQZMQEYHGYIK-CYBMUJFWSA-N 1 2 263.385 0.400 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349468793 924968526 /nfs/dbraw/zinc/96/85/26/924968526.db2.gz WPUQACIZPBZNPW-XQQFMLRXSA-N 1 2 266.389 0.284 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001349468793 924968532 /nfs/dbraw/zinc/96/85/32/924968532.db2.gz WPUQACIZPBZNPW-XQQFMLRXSA-N 1 2 266.389 0.284 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001350563049 925224919 /nfs/dbraw/zinc/22/49/19/925224919.db2.gz SZUJWXJXJCXCEF-BXKDBHETSA-N 1 2 250.302 0.510 20 30 CCEDLO C=CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H](C)COC ZINC001350640767 925247515 /nfs/dbraw/zinc/24/75/15/925247515.db2.gz RTPKSJCGBULSAI-GFCCVEGCSA-N 1 2 294.355 0.049 20 30 CCEDLO COCC#CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001350938956 925317174 /nfs/dbraw/zinc/31/71/74/925317174.db2.gz DMCIWQWGFPJKRH-UHFFFAOYSA-N 1 2 289.335 0.815 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001352897048 925667970 /nfs/dbraw/zinc/66/79/70/925667970.db2.gz FKKQCIXGCYFXBK-CYBMUJFWSA-N 1 2 290.367 0.957 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001353735934 925922048 /nfs/dbraw/zinc/92/20/48/925922048.db2.gz FSQJZMKZOMLKFC-PHIMTYICSA-N 1 2 276.340 0.682 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001354677711 926153092 /nfs/dbraw/zinc/15/30/92/926153092.db2.gz ZSHPLHCPDPWOBF-LLVKDONJSA-N 1 2 276.340 0.233 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001358528080 926731666 /nfs/dbraw/zinc/73/16/66/926731666.db2.gz IZYLBPYFMRMEGE-LBPRGKRZSA-N 1 2 292.383 0.940 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001358591287 926759188 /nfs/dbraw/zinc/75/91/88/926759188.db2.gz KHDDPPIFVOESAB-GFCCVEGCSA-N 1 2 276.340 0.636 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001424768924 928285735 /nfs/dbraw/zinc/28/57/35/928285735.db2.gz BVSZADTUBQMPQI-IJLUTSLNSA-N 1 2 289.339 0.054 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)NCCn2cnc(C#N)n2)c[nH+]1 ZINC001363170913 928943163 /nfs/dbraw/zinc/94/31/63/928943163.db2.gz VCYASWNVUWQXLS-UHFFFAOYSA-N 1 2 287.327 0.206 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001372928793 930021484 /nfs/dbraw/zinc/02/14/84/930021484.db2.gz YZAVWONRONSUMJ-NXEZZACHSA-N 1 2 295.343 0.485 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)[C@@H](C)C#N ZINC001373025981 930050649 /nfs/dbraw/zinc/05/06/49/930050649.db2.gz TZUGRGWPYLPKOW-WDEREUQCSA-N 1 2 291.355 0.133 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001445721403 930230046 /nfs/dbraw/zinc/23/00/46/930230046.db2.gz VOUSLGTYLZXKTA-SECBINFHSA-N 1 2 285.779 0.845 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001445721403 930230057 /nfs/dbraw/zinc/23/00/57/930230057.db2.gz VOUSLGTYLZXKTA-SECBINFHSA-N 1 2 285.779 0.845 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001446666598 930456665 /nfs/dbraw/zinc/45/66/65/930456665.db2.gz HVPXOVUSIMVCIW-WDEREUQCSA-N 1 2 289.339 0.171 20 30 CCEDLO CC(C)OCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)CO2 ZINC001447401017 930624565 /nfs/dbraw/zinc/62/45/65/930624565.db2.gz RJMLIPVNGVUORJ-CHWSQXEVSA-N 1 2 295.383 0.531 20 30 CCEDLO CCOc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)s1 ZINC001374736399 930638047 /nfs/dbraw/zinc/63/80/47/930638047.db2.gz CITCAALETIBLDO-RKDXNWHRSA-N 1 2 297.384 0.691 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001448063869 930805871 /nfs/dbraw/zinc/80/58/71/930805871.db2.gz LYGPCSBTGYEVER-MRVPVSSYSA-N 1 2 272.740 0.013 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001448063869 930805880 /nfs/dbraw/zinc/80/58/80/930805880.db2.gz LYGPCSBTGYEVER-MRVPVSSYSA-N 1 2 272.740 0.013 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCNC(=O)[C@@H](C)C#N ZINC001449198005 931100236 /nfs/dbraw/zinc/10/02/36/931100236.db2.gz XHCMJSFKUKAPFO-MNOVXSKESA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCNC(=O)[C@@H](C)C#N ZINC001449198005 931100241 /nfs/dbraw/zinc/10/02/41/931100241.db2.gz XHCMJSFKUKAPFO-MNOVXSKESA-N 1 2 291.355 0.323 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001449499895 931150519 /nfs/dbraw/zinc/15/05/19/931150519.db2.gz UPOGSBNWLFXNFQ-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588727308 983975795 /nfs/dbraw/zinc/97/57/95/983975795.db2.gz BKRQMEKLQQHYDY-STQMWFEESA-N 1 2 295.383 0.430 20 30 CCEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001588727308 983975801 /nfs/dbraw/zinc/97/58/01/983975801.db2.gz BKRQMEKLQQHYDY-STQMWFEESA-N 1 2 295.383 0.430 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079369 349449859 /nfs/dbraw/zinc/44/98/59/349449859.db2.gz MIXNAVLDDVRNQW-UHFFFAOYSA-N 1 2 260.341 0.968 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000091079369 349449861 /nfs/dbraw/zinc/44/98/61/349449861.db2.gz MIXNAVLDDVRNQW-UHFFFAOYSA-N 1 2 260.341 0.968 20 30 CCEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](C(N)=O)O1 ZINC000092006480 349480423 /nfs/dbraw/zinc/48/04/23/349480423.db2.gz RDPSUUVEOHGBCK-ZWNOBZJWSA-N 1 2 299.334 0.281 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666501 361779174 /nfs/dbraw/zinc/77/91/74/361779174.db2.gz XLKJWIMNASQPHV-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666501 361779179 /nfs/dbraw/zinc/77/91/79/361779179.db2.gz XLKJWIMNASQPHV-ZDUSSCGKSA-N 1 2 259.309 0.634 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617486460 365648366 /nfs/dbraw/zinc/64/83/66/365648366.db2.gz UAPCJEDGFMXSII-GFCCVEGCSA-N 1 2 261.325 0.845 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNc1ccc(C#N)cc1 ZINC000600420173 361955477 /nfs/dbraw/zinc/95/54/77/361955477.db2.gz JUEZDAWHIDSOBD-AWEZNQCLSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNc1ccc(C#N)cc1 ZINC000600420173 361955478 /nfs/dbraw/zinc/95/54/78/361955478.db2.gz JUEZDAWHIDSOBD-AWEZNQCLSA-N 1 2 288.351 0.417 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600422117 361956690 /nfs/dbraw/zinc/95/66/90/361956690.db2.gz RGHFGSPSTMTKIN-IUODEOHRSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600422117 361956692 /nfs/dbraw/zinc/95/66/92/361956692.db2.gz RGHFGSPSTMTKIN-IUODEOHRSA-N 1 2 277.368 0.907 20 30 CCEDLO Cc1nc(N2CCN(c3ccccc3C#N)CC2)nc(N)[nH+]1 ZINC000601111395 362150075 /nfs/dbraw/zinc/15/00/75/362150075.db2.gz PQLJFBACIXBEBP-UHFFFAOYSA-N 1 2 295.350 0.791 20 30 CCEDLO Cc1nc(N)nc(N2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000601111395 362150081 /nfs/dbraw/zinc/15/00/81/362150081.db2.gz PQLJFBACIXBEBP-UHFFFAOYSA-N 1 2 295.350 0.791 20 30 CCEDLO Cc1cc(C#N)cc(N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000601176082 362167369 /nfs/dbraw/zinc/16/73/69/362167369.db2.gz FNBNWJXERCZTKX-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734329 365745187 /nfs/dbraw/zinc/74/51/87/365745187.db2.gz AYVDNDCNKXMUIE-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734329 365745192 /nfs/dbraw/zinc/74/51/92/365745192.db2.gz AYVDNDCNKXMUIE-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCCOC2)C1 ZINC000329136980 529787891 /nfs/dbraw/zinc/78/78/91/529787891.db2.gz HIWYBHYHUJAENE-DGCLKSJQSA-N 1 2 271.361 0.390 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCCOC2)C1 ZINC000329136980 529787892 /nfs/dbraw/zinc/78/78/92/529787892.db2.gz HIWYBHYHUJAENE-DGCLKSJQSA-N 1 2 271.361 0.390 20 30 CCEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCOCC1 ZINC000329229248 529828712 /nfs/dbraw/zinc/82/87/12/529828712.db2.gz JFLLRHMSAKHONO-UHFFFAOYSA-N 1 2 294.355 0.180 20 30 CCEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCOCC1 ZINC000329229248 529828714 /nfs/dbraw/zinc/82/87/14/529828714.db2.gz JFLLRHMSAKHONO-UHFFFAOYSA-N 1 2 294.355 0.180 20 30 CCEDLO C[C@@H](C#N)N(C1CC1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601463031 362280112 /nfs/dbraw/zinc/28/01/12/362280112.db2.gz GELMELITCGIBGJ-CMPLNLGQSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@@H](C#N)N(C1CC1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601463031 362280115 /nfs/dbraw/zinc/28/01/15/362280115.db2.gz GELMELITCGIBGJ-CMPLNLGQSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[N@@H+]1CCO ZINC000601472100 362283865 /nfs/dbraw/zinc/28/38/65/362283865.db2.gz OFVTUBDSCSVEJS-LBPRGKRZSA-N 1 2 277.368 0.595 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[N@H+]1CCO ZINC000601472100 362283869 /nfs/dbraw/zinc/28/38/69/362283869.db2.gz OFVTUBDSCSVEJS-LBPRGKRZSA-N 1 2 277.368 0.595 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)N2CCN(CCC#N)CC2)c1 ZINC000601615089 362327500 /nfs/dbraw/zinc/32/75/00/362327500.db2.gz DNKKSVMOOVOIKY-UHFFFAOYSA-N 1 2 290.371 0.203 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000601637841 362336010 /nfs/dbraw/zinc/33/60/10/362336010.db2.gz YAVKJZKKWLOZPR-MRVPVSSYSA-N 1 2 256.269 0.101 20 30 CCEDLO Cc1[nH]n(CCC[NH+]2CCOCC2)c(=O)c1CCC#N ZINC000601947030 362433681 /nfs/dbraw/zinc/43/36/81/362433681.db2.gz DMSKHDVQYQEYHN-CYBMUJFWSA-N 1 2 278.356 0.847 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602101746 362487993 /nfs/dbraw/zinc/48/79/93/362487993.db2.gz CKZLXFOQTVHBJA-UHFFFAOYSA-N 1 2 286.291 0.782 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC(C)(C)CCC#N)C1 ZINC000353088477 530070422 /nfs/dbraw/zinc/07/04/22/530070422.db2.gz OFWSDNMVXMWACT-ZDUSSCGKSA-N 1 2 295.431 0.861 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC(C)(C)CCC#N)C1 ZINC000353088477 530070423 /nfs/dbraw/zinc/07/04/23/530070423.db2.gz OFWSDNMVXMWACT-ZDUSSCGKSA-N 1 2 295.431 0.861 20 30 CCEDLO CCO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000602331449 362589665 /nfs/dbraw/zinc/58/96/65/362589665.db2.gz DIYOIOUZVNQGDU-AAEUAGOBSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](c1nncn1C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849283 362836058 /nfs/dbraw/zinc/83/60/58/362836058.db2.gz KWJIZCISCNDZHU-GRYCIOLGSA-N 1 2 262.361 0.794 20 30 CCEDLO C[C@H](c1nncn1C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849283 362836061 /nfs/dbraw/zinc/83/60/61/362836061.db2.gz KWJIZCISCNDZHU-GRYCIOLGSA-N 1 2 262.361 0.794 20 30 CCEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602863747 362848769 /nfs/dbraw/zinc/84/87/69/362848769.db2.gz PSYICCFTUUQABC-LLVKDONJSA-N 1 2 268.361 0.251 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(O)CC2)nc1 ZINC000343958496 137169944 /nfs/dbraw/zinc/16/99/44/137169944.db2.gz JBZWGBIQQAYEFJ-UHFFFAOYSA-N 1 2 295.364 0.184 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000007926366 348009501 /nfs/dbraw/zinc/00/95/01/348009501.db2.gz UDWPVNUVEPWGPP-NHYWBVRUSA-N 1 2 294.399 0.640 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000007926366 348009504 /nfs/dbraw/zinc/00/95/04/348009504.db2.gz UDWPVNUVEPWGPP-NHYWBVRUSA-N 1 2 294.399 0.640 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602869931 362852700 /nfs/dbraw/zinc/85/27/00/362852700.db2.gz QRUMGZGYVSLNPG-MNOVXSKESA-N 1 2 281.356 0.678 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000602871685 362853050 /nfs/dbraw/zinc/85/30/50/362853050.db2.gz UIKXXMPNBXGVHR-WDEREUQCSA-N 1 2 281.356 0.821 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1cccc(C#N)c1 ZINC000042404782 348278592 /nfs/dbraw/zinc/27/85/92/348278592.db2.gz JOCADWAIJIKLRM-UHFFFAOYSA-N 1 2 288.351 0.955 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1cccc(C#N)c1 ZINC000042404782 348278597 /nfs/dbraw/zinc/27/85/97/348278597.db2.gz JOCADWAIJIKLRM-UHFFFAOYSA-N 1 2 288.351 0.955 20 30 CCEDLO C[N@H+](CC(=O)N1CCNC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602973813 362915599 /nfs/dbraw/zinc/91/55/99/362915599.db2.gz FSHJTWWNWDUZHV-VHSXEESVSA-N 1 2 250.302 0.162 20 30 CCEDLO C[N@@H+](CC(=O)N1CCNC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602973813 362915603 /nfs/dbraw/zinc/91/56/03/362915603.db2.gz FSHJTWWNWDUZHV-VHSXEESVSA-N 1 2 250.302 0.162 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N1CCCC1 ZINC000052797251 348514816 /nfs/dbraw/zinc/51/48/16/348514816.db2.gz YFNPQRXFCULFBS-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000052797251 348514818 /nfs/dbraw/zinc/51/48/18/348514818.db2.gz YFNPQRXFCULFBS-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CNC(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000053148393 348521431 /nfs/dbraw/zinc/52/14/31/348521431.db2.gz XCCFUDIDTXXCKF-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CNC(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000053148393 348521433 /nfs/dbraw/zinc/52/14/33/348521433.db2.gz XCCFUDIDTXXCKF-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC3)CC2)nc1 ZINC000060480627 348644331 /nfs/dbraw/zinc/64/43/31/348644331.db2.gz DSKSRIICCDLISZ-UHFFFAOYSA-N 1 2 285.351 0.308 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCCC#N ZINC000602999080 362929294 /nfs/dbraw/zinc/92/92/94/362929294.db2.gz ZNRATWDPFFHBCB-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCCC#N ZINC000602999080 362929295 /nfs/dbraw/zinc/92/92/95/362929295.db2.gz ZNRATWDPFFHBCB-LLVKDONJSA-N 1 2 254.334 0.310 20 30 CCEDLO C#CC[N@@H+](CCCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066537696 348747307 /nfs/dbraw/zinc/74/73/07/348747307.db2.gz CFIQIAGCUYIRFE-ZDUSSCGKSA-N 1 2 298.408 0.121 20 30 CCEDLO C#CC[N@H+](CCCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066537696 348747308 /nfs/dbraw/zinc/74/73/08/348747308.db2.gz CFIQIAGCUYIRFE-ZDUSSCGKSA-N 1 2 298.408 0.121 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCSCC#N ZINC000603000013 362930075 /nfs/dbraw/zinc/93/00/75/362930075.db2.gz RDZNNPRYOJDWPZ-LLVKDONJSA-N 1 2 286.401 0.263 20 30 CCEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCSCC#N ZINC000603000013 362930082 /nfs/dbraw/zinc/93/00/82/362930082.db2.gz RDZNNPRYOJDWPZ-LLVKDONJSA-N 1 2 286.401 0.263 20 30 CCEDLO CCOCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000070266628 348883265 /nfs/dbraw/zinc/88/32/65/348883265.db2.gz VKHIEQPIXSRBIK-UHFFFAOYSA-N 1 2 269.345 0.097 20 30 CCEDLO N#Cc1ccnc(SC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000076493007 349085761 /nfs/dbraw/zinc/08/57/61/349085761.db2.gz DLNKTZRPOJAJJO-GFCCVEGCSA-N 1 2 279.365 0.738 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044615 349243210 /nfs/dbraw/zinc/24/32/10/349243210.db2.gz NNAHCUYHNHFOKR-UHFFFAOYSA-N 1 2 266.345 0.848 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044615 349243212 /nfs/dbraw/zinc/24/32/12/349243212.db2.gz NNAHCUYHNHFOKR-UHFFFAOYSA-N 1 2 266.345 0.848 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)C2CC2)cc1 ZINC000081512570 349270453 /nfs/dbraw/zinc/27/04/53/349270453.db2.gz LPJMPXPPXHJYDJ-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)C2CC2)cc1 ZINC000081512570 349270456 /nfs/dbraw/zinc/27/04/56/349270456.db2.gz LPJMPXPPXHJYDJ-UHFFFAOYSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)CO)CC1 ZINC000089423065 349386007 /nfs/dbraw/zinc/38/60/07/349386007.db2.gz IRSNDTRHZCNOMU-UHFFFAOYSA-N 1 2 289.335 0.074 20 30 CCEDLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1C#N ZINC000091753093 180246110 /nfs/dbraw/zinc/24/61/10/180246110.db2.gz ZQLRCZGFDZHSFE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1C#N ZINC000091753093 180246112 /nfs/dbraw/zinc/24/61/12/180246112.db2.gz ZQLRCZGFDZHSFE-ZDUSSCGKSA-N 1 2 286.335 0.776 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603087842 362956467 /nfs/dbraw/zinc/95/64/67/362956467.db2.gz MHQQCKKHZPVQOH-BXUZGUMPSA-N 1 2 257.293 0.563 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603087842 362956476 /nfs/dbraw/zinc/95/64/76/362956476.db2.gz MHQQCKKHZPVQOH-BXUZGUMPSA-N 1 2 257.293 0.563 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000138953737 350444475 /nfs/dbraw/zinc/44/44/75/350444475.db2.gz OULOCMYELMEWFU-LBPRGKRZSA-N 1 2 294.424 0.951 20 30 CCEDLO COC(=O)CN(C)C(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156656059 350632986 /nfs/dbraw/zinc/63/29/86/350632986.db2.gz UMYBLWIPMVHLJP-UHFFFAOYSA-N 1 2 281.356 0.776 20 30 CCEDLO COC(=O)CN(C)C(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156656059 350632987 /nfs/dbraw/zinc/63/29/87/350632987.db2.gz UMYBLWIPMVHLJP-UHFFFAOYSA-N 1 2 281.356 0.776 20 30 CCEDLO C[C@@H](O)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000168988901 350834202 /nfs/dbraw/zinc/83/42/02/350834202.db2.gz DMJVXWHNBBXGKR-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@@H](O)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000168988901 350834205 /nfs/dbraw/zinc/83/42/05/350834205.db2.gz DMJVXWHNBBXGKR-LLVKDONJSA-N 1 2 282.365 0.645 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000171419403 350907526 /nfs/dbraw/zinc/90/75/26/350907526.db2.gz KZMVRCWKXMNBHW-UHFFFAOYSA-N 1 2 287.363 0.891 20 30 CCEDLO C#CCSCCNC(=O)NCCCn1cc[nH+]c1 ZINC000172465647 350985492 /nfs/dbraw/zinc/98/54/92/350985492.db2.gz VFIJCSOKCIPVCU-UHFFFAOYSA-N 1 2 266.370 0.939 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000175803353 351144355 /nfs/dbraw/zinc/14/43/55/351144355.db2.gz KRXHVFUCKRIHTQ-NWDGAFQWSA-N 1 2 294.424 0.233 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476680 351496437 /nfs/dbraw/zinc/49/64/37/351496437.db2.gz BNQILRSOKVQZIO-WXHSDQCUSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186476680 351496442 /nfs/dbraw/zinc/49/64/42/351496442.db2.gz BNQILRSOKVQZIO-WXHSDQCUSA-N 1 2 289.335 0.313 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188423447 351594749 /nfs/dbraw/zinc/59/47/49/351594749.db2.gz QPSDGXULMPHJLG-UHFFFAOYSA-N 1 2 289.335 0.668 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1CCO ZINC000188833002 351632089 /nfs/dbraw/zinc/63/20/89/351632089.db2.gz KZCMAPBCHJTKFW-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1CCO ZINC000188833002 351632092 /nfs/dbraw/zinc/63/20/92/351632092.db2.gz KZCMAPBCHJTKFW-LLVKDONJSA-N 1 2 289.335 0.402 20 30 CCEDLO C[C@H](NC(=O)c1ccnc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000193170967 351815128 /nfs/dbraw/zinc/81/51/28/351815128.db2.gz KXGKPWYUDYYGLC-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C=CCOCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000683991451 545596029 /nfs/dbraw/zinc/59/60/29/545596029.db2.gz DZBYEXJXLWZXGZ-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO CS(=O)(=O)CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292081204 198156118 /nfs/dbraw/zinc/15/61/18/198156118.db2.gz DOIBVCTZGXOYFG-LBPRGKRZSA-N 1 2 295.364 0.451 20 30 CCEDLO CS(=O)(=O)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292081204 198156120 /nfs/dbraw/zinc/15/61/20/198156120.db2.gz DOIBVCTZGXOYFG-LBPRGKRZSA-N 1 2 295.364 0.451 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265628685 352651340 /nfs/dbraw/zinc/65/13/40/352651340.db2.gz DTJWYWFJEORHAR-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265628685 352651341 /nfs/dbraw/zinc/65/13/41/352651341.db2.gz DTJWYWFJEORHAR-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267725362 352786234 /nfs/dbraw/zinc/78/62/34/352786234.db2.gz ZGYSIFRKLVGSFB-CQSZACIVSA-N 1 2 286.347 0.998 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267725362 352786240 /nfs/dbraw/zinc/78/62/40/352786240.db2.gz ZGYSIFRKLVGSFB-CQSZACIVSA-N 1 2 286.347 0.998 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nccc(N)n3)C2)nc1 ZINC000292205104 198202580 /nfs/dbraw/zinc/20/25/80/198202580.db2.gz OAXMAEUAPRAODC-GFCCVEGCSA-N 1 2 296.334 0.979 20 30 CCEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nccc(N)n3)C2)nc1 ZINC000292205104 198202582 /nfs/dbraw/zinc/20/25/82/198202582.db2.gz OAXMAEUAPRAODC-GFCCVEGCSA-N 1 2 296.334 0.979 20 30 CCEDLO Cn1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1C#N ZINC000292222574 198207855 /nfs/dbraw/zinc/20/78/55/198207855.db2.gz AHUKMJAEUNSUEL-NSHDSACASA-N 1 2 281.381 0.763 20 30 CCEDLO Cn1cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1C#N ZINC000292222574 198207856 /nfs/dbraw/zinc/20/78/56/198207856.db2.gz AHUKMJAEUNSUEL-NSHDSACASA-N 1 2 281.381 0.763 20 30 CCEDLO CCOC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292272762 198226603 /nfs/dbraw/zinc/22/66/03/198226603.db2.gz SITCEMIDWGZFLF-GFCCVEGCSA-N 1 2 275.308 0.969 20 30 CCEDLO CCOC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292272762 198226604 /nfs/dbraw/zinc/22/66/04/198226604.db2.gz SITCEMIDWGZFLF-GFCCVEGCSA-N 1 2 275.308 0.969 20 30 CCEDLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288714 198231950 /nfs/dbraw/zinc/23/19/50/198231950.db2.gz TZFDAROWLCJAQB-PWSUYJOCSA-N 1 2 275.308 0.968 20 30 CCEDLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288714 198231952 /nfs/dbraw/zinc/23/19/52/198231952.db2.gz TZFDAROWLCJAQB-PWSUYJOCSA-N 1 2 275.308 0.968 20 30 CCEDLO C=C(Cl)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277414574 353242758 /nfs/dbraw/zinc/24/27/58/353242758.db2.gz KTKXVTIRQWVTHH-UHFFFAOYSA-N 1 2 273.764 0.903 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000156803313 188282089 /nfs/dbraw/zinc/28/20/89/188282089.db2.gz QIXGRMOBEFGTGE-KBPBESRZSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000156803313 188282091 /nfs/dbraw/zinc/28/20/91/188282091.db2.gz QIXGRMOBEFGTGE-KBPBESRZSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000156803049 188282552 /nfs/dbraw/zinc/28/25/52/188282552.db2.gz QIXGRMOBEFGTGE-UONOGXRCSA-N 1 2 282.384 0.659 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000156803049 188282553 /nfs/dbraw/zinc/28/25/53/188282553.db2.gz QIXGRMOBEFGTGE-UONOGXRCSA-N 1 2 282.384 0.659 20 30 CCEDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383803 353419219 /nfs/dbraw/zinc/41/92/19/353419219.db2.gz XDPFEGUITIHDDV-SMDDNHRTSA-N 1 2 273.336 0.754 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC(=O)N1C ZINC000282383803 353419221 /nfs/dbraw/zinc/41/92/21/353419221.db2.gz XDPFEGUITIHDDV-SMDDNHRTSA-N 1 2 273.336 0.754 20 30 CCEDLO NC(=[NH+]OCc1nc(C2CC2)no1)[C@@H]1CCCO1 ZINC000284033821 353545285 /nfs/dbraw/zinc/54/52/85/353545285.db2.gz IQHJCCXMEFOFPD-QMMMGPOBSA-N 1 2 252.274 0.915 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC[C@H](O)C1 ZINC000295544128 353902163 /nfs/dbraw/zinc/90/21/63/353902163.db2.gz JWDOZTFGSIPOQO-BXUZGUMPSA-N 1 2 289.335 0.578 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC[C@H](O)C1 ZINC000295544128 353902165 /nfs/dbraw/zinc/90/21/65/353902165.db2.gz JWDOZTFGSIPOQO-BXUZGUMPSA-N 1 2 289.335 0.578 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000329749840 283022737 /nfs/dbraw/zinc/02/27/37/283022737.db2.gz HSWXZFNDLDDOFH-UMVBOHGHSA-N 1 2 297.399 0.778 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000329749840 283022738 /nfs/dbraw/zinc/02/27/38/283022738.db2.gz HSWXZFNDLDDOFH-UMVBOHGHSA-N 1 2 297.399 0.778 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000335936156 355051811 /nfs/dbraw/zinc/05/18/11/355051811.db2.gz YWVKLIIGIFYURP-GFCCVEGCSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000335936156 355051814 /nfs/dbraw/zinc/05/18/14/355051814.db2.gz YWVKLIIGIFYURP-GFCCVEGCSA-N 1 2 262.288 0.940 20 30 CCEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N(C)C ZINC000346827156 283103369 /nfs/dbraw/zinc/10/33/69/283103369.db2.gz OVVKRMJCKDKOKQ-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N(C)C ZINC000346827156 283103371 /nfs/dbraw/zinc/10/33/71/283103371.db2.gz OVVKRMJCKDKOKQ-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO Cc1cc(NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)c[nH+]1 ZINC000425246912 235276615 /nfs/dbraw/zinc/27/66/15/235276615.db2.gz MSCPNYRDSZRANT-TZMCWYRMSA-N 1 2 288.351 0.731 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340655771 355587964 /nfs/dbraw/zinc/58/79/64/355587964.db2.gz LVVDHDNBDOKRKP-GFCCVEGCSA-N 1 2 294.355 0.049 20 30 CCEDLO COC[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)C(=O)OC ZINC000342797571 355749035 /nfs/dbraw/zinc/74/90/35/355749035.db2.gz PXQCPDXPWVBFQV-GFCCVEGCSA-N 1 2 288.307 0.484 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741897 355777271 /nfs/dbraw/zinc/77/72/71/355777271.db2.gz GZNAWFSJKKPQIL-PWSUYJOCSA-N 1 2 295.364 0.182 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343741897 355777278 /nfs/dbraw/zinc/77/72/78/355777278.db2.gz GZNAWFSJKKPQIL-PWSUYJOCSA-N 1 2 295.364 0.182 20 30 CCEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)N2CCCC2)C(N)=O)cc1 ZINC000360060828 137976348 /nfs/dbraw/zinc/97/63/48/137976348.db2.gz PBYHEUJLQCEDIS-CQSZACIVSA-N 1 2 286.335 0.297 20 30 CCEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)NCC(F)F)C(N)=O)cc1 ZINC000360702531 138007446 /nfs/dbraw/zinc/00/74/46/138007446.db2.gz JSBLKEWFUSJHRQ-GFCCVEGCSA-N 1 2 296.277 0.056 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnccc1C#N ZINC000362211462 138050986 /nfs/dbraw/zinc/05/09/86/138050986.db2.gz CTYVKMAJCIMSKQ-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000619439579 366252763 /nfs/dbraw/zinc/25/27/63/366252763.db2.gz HUSSSJWMZWFXSD-CQSZACIVSA-N 1 2 286.335 0.500 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134806 363473295 /nfs/dbraw/zinc/47/32/95/363473295.db2.gz ZMTKXGUQEDTBLH-LBPRGKRZSA-N 1 2 297.384 0.610 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000609874911 363523124 /nfs/dbraw/zinc/52/31/24/363523124.db2.gz ROAPZOGRTBFHRQ-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCC2)CCO1 ZINC000609874911 363523129 /nfs/dbraw/zinc/52/31/29/363523129.db2.gz ROAPZOGRTBFHRQ-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO N#Cc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000560803568 291113200 /nfs/dbraw/zinc/11/32/00/291113200.db2.gz UVESUVPMPPVUKW-LLVKDONJSA-N 1 2 261.304 0.504 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000619716869 366334616 /nfs/dbraw/zinc/33/46/16/366334616.db2.gz WSXKKQFMGGRNCB-NEPJUHHUSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000619716869 366334618 /nfs/dbraw/zinc/33/46/18/366334618.db2.gz WSXKKQFMGGRNCB-NEPJUHHUSA-N 1 2 254.330 0.562 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@]1(CO)CCOC1 ZINC000359602637 356856235 /nfs/dbraw/zinc/85/62/35/356856235.db2.gz QKAFITPJAHYZBI-OAHLLOKOSA-N 1 2 289.335 0.580 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@]1(CO)CCOC1 ZINC000359602637 356856240 /nfs/dbraw/zinc/85/62/40/356856240.db2.gz QKAFITPJAHYZBI-OAHLLOKOSA-N 1 2 289.335 0.580 20 30 CCEDLO CO[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352877 357045991 /nfs/dbraw/zinc/04/59/91/357045991.db2.gz RNJSKXSPWIZMAE-CHWSQXEVSA-N 1 2 259.309 0.805 20 30 CCEDLO CO[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361352877 357045998 /nfs/dbraw/zinc/04/59/98/357045998.db2.gz RNJSKXSPWIZMAE-CHWSQXEVSA-N 1 2 259.309 0.805 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000361355647 357046640 /nfs/dbraw/zinc/04/66/40/357046640.db2.gz YUVGKGXNZRKQTK-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO C=CCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000361355647 357046641 /nfs/dbraw/zinc/04/66/41/357046641.db2.gz YUVGKGXNZRKQTK-UHFFFAOYSA-N 1 2 253.346 0.362 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382633938 357714333 /nfs/dbraw/zinc/71/43/33/357714333.db2.gz MGUDATOEOLVRTC-STQMWFEESA-N 1 2 265.357 0.859 20 30 CCEDLO C[N@@H+]1CCO[C@H](CSc2cnc(C#N)cn2)C1 ZINC000400762337 357795784 /nfs/dbraw/zinc/79/57/84/357795784.db2.gz ITWHOMLCQOJTBH-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@H](CSc2cnc(C#N)cn2)C1 ZINC000400762337 357795786 /nfs/dbraw/zinc/79/57/86/357795786.db2.gz ITWHOMLCQOJTBH-JTQLQIEISA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CSc2cncc(C#N)n2)C1 ZINC000401315158 357799250 /nfs/dbraw/zinc/79/92/50/357799250.db2.gz YESUWUWEBJVSMM-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](CSc2cncc(C#N)n2)C1 ZINC000401315158 357799254 /nfs/dbraw/zinc/79/92/54/357799254.db2.gz YESUWUWEBJVSMM-SNVBAGLBSA-N 1 2 250.327 0.771 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000294611164 199106604 /nfs/dbraw/zinc/10/66/04/199106604.db2.gz ODIFPJRDAWTAAT-YPMHNXCESA-N 1 2 268.357 0.693 20 30 CCEDLO CC[C@H]1C[N@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000487341967 358285622 /nfs/dbraw/zinc/28/56/22/358285622.db2.gz SOTLGHLRVZJIDC-LBPRGKRZSA-N 1 2 289.401 0.320 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)CCCC#N)CCO1 ZINC000487341967 358285627 /nfs/dbraw/zinc/28/56/27/358285627.db2.gz SOTLGHLRVZJIDC-LBPRGKRZSA-N 1 2 289.401 0.320 20 30 CCEDLO C=CCOCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000620162554 366455940 /nfs/dbraw/zinc/45/59/40/366455940.db2.gz OLJIXUUXUBPURO-GFCCVEGCSA-N 1 2 266.345 0.342 20 30 CCEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000545172629 358549737 /nfs/dbraw/zinc/54/97/37/358549737.db2.gz NOKCJFWAVGTFDT-GFCCVEGCSA-N 1 2 292.339 0.522 20 30 CCEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000545172629 358549740 /nfs/dbraw/zinc/54/97/40/358549740.db2.gz NOKCJFWAVGTFDT-GFCCVEGCSA-N 1 2 292.339 0.522 20 30 CCEDLO Cn1cc(C#N)c(=NC(=O)NCc2ccn3cc[nH+]c3c2)[nH]1 ZINC000610773233 363612526 /nfs/dbraw/zinc/61/25/26/363612526.db2.gz PTBGNXNKXUPYIE-UHFFFAOYSA-N 1 2 295.306 0.683 20 30 CCEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000572163814 358927535 /nfs/dbraw/zinc/92/75/35/358927535.db2.gz BLTAEJLHRHCXNR-OLZOCXBDSA-N 1 2 278.400 0.963 20 30 CCEDLO CN(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000573253876 358952786 /nfs/dbraw/zinc/95/27/86/358952786.db2.gz HWQNCULTZUTEEB-CQSZACIVSA-N 1 2 275.356 0.721 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000574168301 359035637 /nfs/dbraw/zinc/03/56/37/359035637.db2.gz XHZAGAXXBNKPRA-UHFFFAOYSA-N 1 2 289.383 0.930 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000574168301 359035643 /nfs/dbraw/zinc/03/56/43/359035643.db2.gz XHZAGAXXBNKPRA-UHFFFAOYSA-N 1 2 289.383 0.930 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000586786092 359290675 /nfs/dbraw/zinc/29/06/75/359290675.db2.gz XITVJGZTOAPWAZ-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCCCC#N ZINC000588660307 359328482 /nfs/dbraw/zinc/32/84/82/359328482.db2.gz AHEJDYFXMLQDKQ-AWEZNQCLSA-N 1 2 297.399 0.612 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000589455302 359384065 /nfs/dbraw/zinc/38/40/65/359384065.db2.gz LVJOXKLFSPIHOV-VIFPVBQESA-N 1 2 267.292 0.964 20 30 CCEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000589455302 359384067 /nfs/dbraw/zinc/38/40/67/359384067.db2.gz LVJOXKLFSPIHOV-VIFPVBQESA-N 1 2 267.292 0.964 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000611083639 363656642 /nfs/dbraw/zinc/65/66/42/363656642.db2.gz QOTGYOASOMHDAG-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000611083639 363656646 /nfs/dbraw/zinc/65/66/46/363656646.db2.gz QOTGYOASOMHDAG-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000589827789 359402635 /nfs/dbraw/zinc/40/26/35/359402635.db2.gz DQYTVUSNXMRQRH-LBPRGKRZSA-N 1 2 294.315 0.141 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1=O ZINC000491920863 237026239 /nfs/dbraw/zinc/02/62/39/237026239.db2.gz YHXCRQMJCNTRDW-NEPJUHHUSA-N 1 2 288.307 0.108 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1=O ZINC000491920863 237026249 /nfs/dbraw/zinc/02/62/49/237026249.db2.gz YHXCRQMJCNTRDW-NEPJUHHUSA-N 1 2 288.307 0.108 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000590688524 359507572 /nfs/dbraw/zinc/50/75/72/359507572.db2.gz JXVSOTUSTMPGKL-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000590688524 359507576 /nfs/dbraw/zinc/50/75/76/359507576.db2.gz JXVSOTUSTMPGKL-SNVBAGLBSA-N 1 2 291.311 0.994 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000591344411 359579894 /nfs/dbraw/zinc/57/98/94/359579894.db2.gz HQMSLMUPOBXLLX-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO N#Cc1cncc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000591461317 359596411 /nfs/dbraw/zinc/59/64/11/359596411.db2.gz OOMSCQRCOGPEBP-UHFFFAOYSA-N 1 2 259.313 0.625 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152437 359770709 /nfs/dbraw/zinc/77/07/09/359770709.db2.gz XTDBHTTVCDJEKE-ONGXEEELSA-N 1 2 291.273 0.500 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000592152437 359770712 /nfs/dbraw/zinc/77/07/12/359770712.db2.gz XTDBHTTVCDJEKE-ONGXEEELSA-N 1 2 291.273 0.500 20 30 CCEDLO CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1[nH]cc[nH+]1 ZINC000611191244 363677806 /nfs/dbraw/zinc/67/78/06/363677806.db2.gz YCYHQWVSSXXVFW-CYBMUJFWSA-N 1 2 261.329 0.650 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000297676674 200258649 /nfs/dbraw/zinc/25/86/49/200258649.db2.gz BQKNLAVPZIUFCK-UHFFFAOYSA-N 1 2 279.384 0.718 20 30 CCEDLO N#CCCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000611173550 363671294 /nfs/dbraw/zinc/67/12/94/363671294.db2.gz AABHAMTVABYVLD-UHFFFAOYSA-N 1 2 272.352 0.817 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592946592 359991844 /nfs/dbraw/zinc/99/18/44/359991844.db2.gz PWYCRVFKMAAOHS-LBPRGKRZSA-N 1 2 276.340 0.834 20 30 CCEDLO N#C[C@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCSC1 ZINC000592947116 359992414 /nfs/dbraw/zinc/99/24/14/359992414.db2.gz QWAKEOFUTOIMOL-GXFFZTMASA-N 1 2 276.365 0.961 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000593155021 360048767 /nfs/dbraw/zinc/04/87/67/360048767.db2.gz YQRRXCDHDJMZEF-NOHGZBONSA-N 1 2 251.330 0.371 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2n1CCCC2 ZINC000593153279 360048862 /nfs/dbraw/zinc/04/88/62/360048862.db2.gz PRDJQMOYNXDPOQ-CQSZACIVSA-N 1 2 275.356 0.793 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593341930 360069020 /nfs/dbraw/zinc/06/90/20/360069020.db2.gz ZTKHGTCWWRNOLT-ZDUSSCGKSA-N 1 2 293.415 0.615 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593341930 360069023 /nfs/dbraw/zinc/06/90/23/360069023.db2.gz ZTKHGTCWWRNOLT-ZDUSSCGKSA-N 1 2 293.415 0.615 20 30 CCEDLO CC(C)[C@H](C#N)N1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000611431959 363718322 /nfs/dbraw/zinc/71/83/22/363718322.db2.gz IMQGNNFMKGKPEA-CVEARBPZSA-N 1 2 294.443 0.873 20 30 CCEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661134 360357439 /nfs/dbraw/zinc/35/74/39/360357439.db2.gz VUTNCOYMNYSHAN-NWDGAFQWSA-N 1 2 299.334 0.734 20 30 CCEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661134 360357446 /nfs/dbraw/zinc/35/74/46/360357446.db2.gz VUTNCOYMNYSHAN-NWDGAFQWSA-N 1 2 299.334 0.734 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595445259 360533413 /nfs/dbraw/zinc/53/34/13/360533413.db2.gz WBVHQHDGTNMXEZ-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1[nH+]ccn1C ZINC000595382912 360513957 /nfs/dbraw/zinc/51/39/57/360513957.db2.gz KXZBOSSMKBEGHV-MRVPVSSYSA-N 1 2 280.309 0.924 20 30 CCEDLO CC[C@H](CC#N)[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000595531274 360567613 /nfs/dbraw/zinc/56/76/13/360567613.db2.gz VPENIMWDROXSIN-SECBINFHSA-N 1 2 257.315 0.709 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000178292705 189103966 /nfs/dbraw/zinc/10/39/66/189103966.db2.gz IMVJYUGNKDNDLJ-ZDUSSCGKSA-N 1 2 271.320 0.427 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000178292705 189103967 /nfs/dbraw/zinc/10/39/67/189103967.db2.gz IMVJYUGNKDNDLJ-ZDUSSCGKSA-N 1 2 271.320 0.427 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1nc(C(=O)OCC)cs1 ZINC000595872002 360686150 /nfs/dbraw/zinc/68/61/50/360686150.db2.gz ASDOQPTUYPQGLJ-MRVPVSSYSA-N 1 2 256.327 0.956 20 30 CCEDLO CC[N@H+](CCC(=O)N(C)CC(=O)OC)[C@@H](C)C#N ZINC000595814245 360664976 /nfs/dbraw/zinc/66/49/76/360664976.db2.gz RPFFMXPTKSTSBH-JTQLQIEISA-N 1 2 255.318 0.242 20 30 CCEDLO CC[N@@H+](CCC(=O)N(C)CC(=O)OC)[C@@H](C)C#N ZINC000595814245 360664979 /nfs/dbraw/zinc/66/49/79/360664979.db2.gz RPFFMXPTKSTSBH-JTQLQIEISA-N 1 2 255.318 0.242 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822590 360667686 /nfs/dbraw/zinc/66/76/86/360667686.db2.gz XECDLAJYWLHFDM-UHFFFAOYSA-N 1 2 263.341 0.517 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822590 360667691 /nfs/dbraw/zinc/66/76/91/360667691.db2.gz XECDLAJYWLHFDM-UHFFFAOYSA-N 1 2 263.341 0.517 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H](CC#N)C1 ZINC000596326672 360880736 /nfs/dbraw/zinc/88/07/36/360880736.db2.gz YSMDLLGTYYMOLV-VIFPVBQESA-N 1 2 271.328 0.906 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnn2C)[C@@H](C)CO1 ZINC000596433350 360893894 /nfs/dbraw/zinc/89/38/94/360893894.db2.gz UQWFUYISRUWLQV-QWRGUYRKSA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnn2C)[C@@H](C)CO1 ZINC000596433350 360893899 /nfs/dbraw/zinc/89/38/99/360893899.db2.gz UQWFUYISRUWLQV-QWRGUYRKSA-N 1 2 263.345 0.813 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCC#N ZINC000596555741 360920741 /nfs/dbraw/zinc/92/07/41/360920741.db2.gz UCWHFMGODPRCBC-NEPJUHHUSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCC#N ZINC000596555741 360920747 /nfs/dbraw/zinc/92/07/47/360920747.db2.gz UCWHFMGODPRCBC-NEPJUHHUSA-N 1 2 268.361 0.699 20 30 CCEDLO C[C@@H](CC#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000597130503 361011911 /nfs/dbraw/zinc/01/19/11/361011911.db2.gz SYXAUCRBQCGYPM-LBPRGKRZSA-N 1 2 291.355 0.704 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C#N)CO)cc2n1C ZINC000597737202 361218356 /nfs/dbraw/zinc/21/83/56/361218356.db2.gz JTQWJTHMUATQOI-SNVBAGLBSA-N 1 2 258.281 0.496 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000597992791 361300991 /nfs/dbraw/zinc/30/09/91/361300991.db2.gz CXBQMJNFQOITGN-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccnc(C#N)c1 ZINC000597992791 361300994 /nfs/dbraw/zinc/30/09/94/361300994.db2.gz CXBQMJNFQOITGN-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO N#CCC1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000598029732 361317747 /nfs/dbraw/zinc/31/77/47/361317747.db2.gz CRZMLGGZWJFIRR-UHFFFAOYSA-N 1 2 263.341 0.613 20 30 CCEDLO COC(=O)[C@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000611614012 363749785 /nfs/dbraw/zinc/74/97/85/363749785.db2.gz ASXNDLCKKOUPPJ-GFCCVEGCSA-N 1 2 251.330 0.516 20 30 CCEDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598702599 361490958 /nfs/dbraw/zinc/49/09/58/361490958.db2.gz VXWFEQDLNWTPJJ-NSHDSACASA-N 1 2 283.372 0.076 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598590328 361450383 /nfs/dbraw/zinc/45/03/83/361450383.db2.gz PSUGMEPXQUIDEA-QWRGUYRKSA-N 1 2 270.329 0.161 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598590328 361450386 /nfs/dbraw/zinc/45/03/86/361450386.db2.gz PSUGMEPXQUIDEA-QWRGUYRKSA-N 1 2 270.329 0.161 20 30 CCEDLO CNS(=O)(=O)CC[N@H+](CCC#N)CCC(C)C ZINC000598597555 361455644 /nfs/dbraw/zinc/45/56/44/361455644.db2.gz YNOTXGHGUFWTEN-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO CNS(=O)(=O)CC[N@@H+](CCC#N)CCC(C)C ZINC000598597555 361455650 /nfs/dbraw/zinc/45/56/50/361455650.db2.gz YNOTXGHGUFWTEN-UHFFFAOYSA-N 1 2 261.391 0.797 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cc(C2CC2)cn1 ZINC000598836126 361522813 /nfs/dbraw/zinc/52/28/13/361522813.db2.gz ANBYEIKEDUVVQJ-AWEZNQCLSA-N 1 2 275.356 0.721 20 30 CCEDLO CO[C@@H]1CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000598837245 361523528 /nfs/dbraw/zinc/52/35/28/361523528.db2.gz UMMMUPHHZZIMOC-NQBHXWOUSA-N 1 2 253.346 0.762 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599160478 361592400 /nfs/dbraw/zinc/59/24/00/361592400.db2.gz JTWSUPYGIVSBPS-LLVKDONJSA-N 1 2 277.284 0.604 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599160478 361592406 /nfs/dbraw/zinc/59/24/06/361592406.db2.gz JTWSUPYGIVSBPS-LLVKDONJSA-N 1 2 277.284 0.604 20 30 CCEDLO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1C#N ZINC000599255664 361622028 /nfs/dbraw/zinc/62/20/28/361622028.db2.gz CUAKYESTZYVAKV-UHFFFAOYSA-N 1 2 272.352 0.470 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C#N ZINC000599318569 361650706 /nfs/dbraw/zinc/65/07/06/361650706.db2.gz INPITBWTNRSNGC-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C#N ZINC000599318569 361650712 /nfs/dbraw/zinc/65/07/12/361650712.db2.gz INPITBWTNRSNGC-AWEZNQCLSA-N 1 2 298.346 0.009 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599528889 361726662 /nfs/dbraw/zinc/72/66/62/361726662.db2.gz ILUOYFUHWFEAFQ-RYUDHWBXSA-N 1 2 291.307 0.499 20 30 CCEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000612166417 363858968 /nfs/dbraw/zinc/85/89/68/363858968.db2.gz RCIFTLKTURGGDY-GFCCVEGCSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000612166417 363858975 /nfs/dbraw/zinc/85/89/75/363858975.db2.gz RCIFTLKTURGGDY-GFCCVEGCSA-N 1 2 250.302 0.164 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000614366576 364586402 /nfs/dbraw/zinc/58/64/02/364586402.db2.gz JNOAZRBLGGYSCJ-WDEREUQCSA-N 1 2 260.297 0.196 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000614407884 364596048 /nfs/dbraw/zinc/59/60/48/364596048.db2.gz ZMTKIACKCGEYIT-OAHLLOKOSA-N 1 2 275.352 0.976 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH+]c(C)nc1N ZINC000614739277 364717288 /nfs/dbraw/zinc/71/72/88/364717288.db2.gz IGDDNAVTBNVCTD-GFCCVEGCSA-N 1 2 291.355 0.285 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000615520990 364991734 /nfs/dbraw/zinc/99/17/34/364991734.db2.gz FZOOSHAUNQRJLT-LLVKDONJSA-N 1 2 251.265 0.530 20 30 CCEDLO C=CC[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631981918 370809667 /nfs/dbraw/zinc/80/96/67/370809667.db2.gz JNUMTFZAIRATRM-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO C=CC[C@@H](C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631981918 370809670 /nfs/dbraw/zinc/80/96/70/370809670.db2.gz JNUMTFZAIRATRM-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)cc1 ZINC000565173266 291351841 /nfs/dbraw/zinc/35/18/41/291351841.db2.gz QQFXNWBFSXHOHU-INIZCTEOSA-N 1 2 298.346 0.851 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]23CCNC3=O)cc1 ZINC000565173266 291351843 /nfs/dbraw/zinc/35/18/43/291351843.db2.gz QQFXNWBFSXHOHU-INIZCTEOSA-N 1 2 298.346 0.851 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(F)c1 ZINC000121393624 260710076 /nfs/dbraw/zinc/71/00/76/260710076.db2.gz OQZRBMKYZRMSJX-MRVPVSSYSA-N 1 2 269.276 0.824 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1=O ZINC000621991163 366971490 /nfs/dbraw/zinc/97/14/90/366971490.db2.gz IHWJWQWPJFXESH-NSHDSACASA-N 1 2 290.367 0.933 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1 ZINC000623255478 367493764 /nfs/dbraw/zinc/49/37/64/367493764.db2.gz JDPWPVZNISCUFU-JTQLQIEISA-N 1 2 272.312 0.405 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298767 367521421 /nfs/dbraw/zinc/52/14/21/367521421.db2.gz JGBIFNXXCOFXOY-RTXFEEFZSA-N 1 2 261.325 0.905 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624155756 367768526 /nfs/dbraw/zinc/76/85/26/367768526.db2.gz CSPYNYKJXGQEMQ-LLVKDONJSA-N 1 2 255.362 0.828 20 30 CCEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624155756 367768534 /nfs/dbraw/zinc/76/85/34/367768534.db2.gz CSPYNYKJXGQEMQ-LLVKDONJSA-N 1 2 255.362 0.828 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624241776 367801937 /nfs/dbraw/zinc/80/19/37/367801937.db2.gz UNHSCIHZWUTOHY-XQQFMLRXSA-N 1 2 283.372 0.207 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624241776 367801943 /nfs/dbraw/zinc/80/19/43/367801943.db2.gz UNHSCIHZWUTOHY-XQQFMLRXSA-N 1 2 283.372 0.207 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000625604879 368266828 /nfs/dbraw/zinc/26/68/28/368266828.db2.gz AXFZTKIVBLANIF-UHFFFAOYSA-N 1 2 288.413 0.689 20 30 CCEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000625734490 368310566 /nfs/dbraw/zinc/31/05/66/368310566.db2.gz NGJNYFYBMISSPN-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000625734490 368310571 /nfs/dbraw/zinc/31/05/71/368310571.db2.gz NGJNYFYBMISSPN-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081304 368432443 /nfs/dbraw/zinc/43/24/43/368432443.db2.gz BOPNNQGIVNRLIR-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081304 368432450 /nfs/dbraw/zinc/43/24/50/368432450.db2.gz BOPNNQGIVNRLIR-STQMWFEESA-N 1 2 297.399 0.376 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COC[C@@H]1CCCO1 ZINC000574256999 335004559 /nfs/dbraw/zinc/00/45/59/335004559.db2.gz UARSNDJBZXMWDS-KBPBESRZSA-N 1 2 268.357 0.945 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)COC[C@@H]1CCCO1 ZINC000574256999 335004560 /nfs/dbraw/zinc/00/45/60/335004560.db2.gz UARSNDJBZXMWDS-KBPBESRZSA-N 1 2 268.357 0.945 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1F ZINC000330642973 203071155 /nfs/dbraw/zinc/07/11/55/203071155.db2.gz JLNGBOQTJZPGMH-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1F ZINC000330642973 203071158 /nfs/dbraw/zinc/07/11/58/203071158.db2.gz JLNGBOQTJZPGMH-GFCCVEGCSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCOCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511348 372066790 /nfs/dbraw/zinc/06/67/90/372066790.db2.gz KIWOFVFATFTQFE-UHFFFAOYSA-N 1 2 290.367 0.366 20 30 CCEDLO C[C@@](O)(C(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000329224443 227362870 /nfs/dbraw/zinc/36/28/70/227362870.db2.gz ZQTMZBMSTLCYCH-ZDUSSCGKSA-N 1 2 268.357 0.969 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)nn1 ZINC000639275256 375688404 /nfs/dbraw/zinc/68/84/04/375688404.db2.gz OETRCFIGMRFOSM-UHFFFAOYSA-N 1 2 287.323 0.920 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640883768 376598273 /nfs/dbraw/zinc/59/82/73/376598273.db2.gz NJQOXNOFCGHJHU-LLVKDONJSA-N 1 2 281.360 0.220 20 30 CCEDLO C=CCNC(=O)[C@@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640883768 376598288 /nfs/dbraw/zinc/59/82/88/376598288.db2.gz NJQOXNOFCGHJHU-LLVKDONJSA-N 1 2 281.360 0.220 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](C)CC)nn1 ZINC000640903825 376609106 /nfs/dbraw/zinc/60/91/06/376609106.db2.gz PLDZUMGICBTPPI-NEPJUHHUSA-N 1 2 277.372 0.867 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641212952 376892100 /nfs/dbraw/zinc/89/21/00/376892100.db2.gz VJSXQCZWHMZEQO-GFCCVEGCSA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCC[C@@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641212952 376892107 /nfs/dbraw/zinc/89/21/07/376892107.db2.gz VJSXQCZWHMZEQO-GFCCVEGCSA-N 1 2 254.334 0.029 20 30 CCEDLO C=CCCOCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641398454 377071580 /nfs/dbraw/zinc/07/15/80/377071580.db2.gz QWJCVIXAWFPQEJ-UHFFFAOYSA-N 1 2 273.358 0.395 20 30 CCEDLO C=CCOCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641417411 377093508 /nfs/dbraw/zinc/09/35/08/377093508.db2.gz SRVIMFCSKMFURO-UHFFFAOYSA-N 1 2 259.331 0.005 20 30 CCEDLO C=CCN1CC[C@@H](N(C)c2cc(CO)cc[nH+]2)C1=O ZINC000641550411 377252882 /nfs/dbraw/zinc/25/28/82/377252882.db2.gz UHOZKSSJXAGKOG-GFCCVEGCSA-N 1 2 261.325 0.797 20 30 CCEDLO COCC1(O)CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000459645544 249049815 /nfs/dbraw/zinc/04/98/15/249049815.db2.gz ZYWHJAUCYAPALE-UHFFFAOYSA-N 1 2 272.308 0.399 20 30 CCEDLO N#Cc1nc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[nH]c1C#N ZINC000571044903 291786973 /nfs/dbraw/zinc/78/69/73/291786973.db2.gz LAYXCXRUBPCZKM-DTWKUNHWSA-N 1 2 272.312 0.999 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491780333 262039074 /nfs/dbraw/zinc/03/90/74/262039074.db2.gz KGULGDNJIFOULW-STQMWFEESA-N 1 2 266.389 0.285 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000184573940 388775619 /nfs/dbraw/zinc/77/56/19/388775619.db2.gz JWPRMGPRJUYJCM-KPZWWZAWSA-N 1 2 272.414 0.886 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000184573940 388775620 /nfs/dbraw/zinc/77/56/20/388775620.db2.gz JWPRMGPRJUYJCM-KPZWWZAWSA-N 1 2 272.414 0.886 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364989991 262266416 /nfs/dbraw/zinc/26/64/16/262266416.db2.gz PKXCEWFASHUXJU-LLVKDONJSA-N 1 2 263.366 0.928 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(C(C)(C)C)no1 ZINC000185158915 388790118 /nfs/dbraw/zinc/79/01/18/388790118.db2.gz PBTHQYYLTPEWRP-QMMMGPOBSA-N 1 2 265.317 0.657 20 30 CCEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000286595123 388843488 /nfs/dbraw/zinc/84/34/88/388843488.db2.gz WLOGQQHPMYYMSI-UHFFFAOYSA-N 1 2 297.424 0.328 20 30 CCEDLO COc1cc(CO[NH+]=C(N)CCO)c([N+](=O)[O-])cc1F ZINC000186792944 388852364 /nfs/dbraw/zinc/85/23/64/388852364.db2.gz CEQILHVILPJFBG-UHFFFAOYSA-N 1 2 287.247 0.914 20 30 CCEDLO C#CC[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000288278872 388859393 /nfs/dbraw/zinc/85/93/93/388859393.db2.gz ZUYWNAMDNVFTND-UHFFFAOYSA-N 1 2 277.328 0.875 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000288627712 388864548 /nfs/dbraw/zinc/86/45/48/388864548.db2.gz RGKXUTCFXJUPQX-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000290307255 388903291 /nfs/dbraw/zinc/90/32/91/388903291.db2.gz ALWDYYSYNINLCW-WFASDCNBSA-N 1 2 292.383 0.562 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000291053780 388916707 /nfs/dbraw/zinc/91/67/07/388916707.db2.gz DYNRORXOJRAZHE-VXGBXAGGSA-N 1 2 278.356 0.644 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000291053780 388916709 /nfs/dbraw/zinc/91/67/09/388916709.db2.gz DYNRORXOJRAZHE-VXGBXAGGSA-N 1 2 278.356 0.644 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1O ZINC000188215058 388918860 /nfs/dbraw/zinc/91/88/60/388918860.db2.gz OUFZBLJPANVRAR-UHFFFAOYSA-N 1 2 275.308 0.326 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000291196076 388919417 /nfs/dbraw/zinc/91/94/17/388919417.db2.gz TXNJIKRLTQIRGD-NEPJUHHUSA-N 1 2 278.356 0.787 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000291196076 388919419 /nfs/dbraw/zinc/91/94/19/388919419.db2.gz TXNJIKRLTQIRGD-NEPJUHHUSA-N 1 2 278.356 0.787 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000051906241 388927181 /nfs/dbraw/zinc/92/71/81/388927181.db2.gz FKWXQZNNTPKUBT-LBPRGKRZSA-N 1 2 296.415 0.841 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000051906241 388927184 /nfs/dbraw/zinc/92/71/84/388927184.db2.gz FKWXQZNNTPKUBT-LBPRGKRZSA-N 1 2 296.415 0.841 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)CC(=O)NC ZINC000056509133 388931304 /nfs/dbraw/zinc/93/13/04/388931304.db2.gz ICGPTKRLYJPCNA-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CC(=O)NC ZINC000056509133 388931307 /nfs/dbraw/zinc/93/13/07/388931307.db2.gz ICGPTKRLYJPCNA-UHFFFAOYSA-N 1 2 269.389 0.869 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(C)(C)C ZINC000291673163 388932635 /nfs/dbraw/zinc/93/26/35/388932635.db2.gz GTIVXBQEUHNKSF-QWHCGFSZSA-N 1 2 290.367 0.621 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(C)(C)C ZINC000291673163 388932636 /nfs/dbraw/zinc/93/26/36/388932636.db2.gz GTIVXBQEUHNKSF-QWHCGFSZSA-N 1 2 290.367 0.621 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000292226124 388946467 /nfs/dbraw/zinc/94/64/67/388946467.db2.gz DMPDOYZILAPSBT-LLVKDONJSA-N 1 2 264.329 0.730 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NCCCC(=O)OCC ZINC000292984863 388974667 /nfs/dbraw/zinc/97/46/67/388974667.db2.gz BOZJOUHOEZLFAX-UHFFFAOYSA-N 1 2 254.330 0.401 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NCCCC(=O)OCC ZINC000292984863 388974669 /nfs/dbraw/zinc/97/46/69/388974669.db2.gz BOZJOUHOEZLFAX-UHFFFAOYSA-N 1 2 254.330 0.401 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000293171756 388980192 /nfs/dbraw/zinc/98/01/92/388980192.db2.gz PEYZVQHKGLQEGA-UHFFFAOYSA-N 1 2 259.309 0.679 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000293171756 388980196 /nfs/dbraw/zinc/98/01/96/388980196.db2.gz PEYZVQHKGLQEGA-UHFFFAOYSA-N 1 2 259.309 0.679 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)[N@H+]1C ZINC000293748424 388987385 /nfs/dbraw/zinc/98/73/85/388987385.db2.gz ILFOKJDOVXFFQC-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000293748424 388987389 /nfs/dbraw/zinc/98/73/89/388987389.db2.gz ILFOKJDOVXFFQC-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000192239070 389029306 /nfs/dbraw/zinc/02/93/06/389029306.db2.gz RPAQZMIVRVPBJB-VIFPVBQESA-N 1 2 272.308 0.748 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000192239070 389029311 /nfs/dbraw/zinc/02/93/11/389029311.db2.gz RPAQZMIVRVPBJB-VIFPVBQESA-N 1 2 272.308 0.748 20 30 CCEDLO CC[N@H+](CCC#N)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551538 389021094 /nfs/dbraw/zinc/02/10/94/389021094.db2.gz LSDHJMVAGKJOBH-UHFFFAOYSA-N 1 2 264.285 0.992 20 30 CCEDLO CC[N@@H+](CCC#N)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551538 389021096 /nfs/dbraw/zinc/02/10/96/389021096.db2.gz LSDHJMVAGKJOBH-UHFFFAOYSA-N 1 2 264.285 0.992 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1=O ZINC000337281612 389059206 /nfs/dbraw/zinc/05/92/06/389059206.db2.gz WICXQUFXKMKCNS-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1=O ZINC000337281612 389059209 /nfs/dbraw/zinc/05/92/09/389059209.db2.gz WICXQUFXKMKCNS-ZDUSSCGKSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000101553718 389073088 /nfs/dbraw/zinc/07/30/88/389073088.db2.gz VKZZPSBOQGHGRI-GFCCVEGCSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000101553718 389073092 /nfs/dbraw/zinc/07/30/92/389073092.db2.gz VKZZPSBOQGHGRI-GFCCVEGCSA-N 1 2 267.373 0.525 20 30 CCEDLO CC[N@H+](CCC#N)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000304734521 389083025 /nfs/dbraw/zinc/08/30/25/389083025.db2.gz RVXLRVDVRXGDKW-MCIONIFRSA-N 1 2 269.389 0.692 20 30 CCEDLO CC[N@@H+](CCC#N)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000304734521 389083028 /nfs/dbraw/zinc/08/30/28/389083028.db2.gz RVXLRVDVRXGDKW-MCIONIFRSA-N 1 2 269.389 0.692 20 30 CCEDLO N#CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092936230 389033938 /nfs/dbraw/zinc/03/39/38/389033938.db2.gz SPMFDQCVDSWNIY-UHFFFAOYSA-N 1 2 280.335 0.847 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccccc1 ZINC000121358035 389146793 /nfs/dbraw/zinc/14/67/93/389146793.db2.gz LRCYSQQBNSYCBN-VIFPVBQESA-N 1 2 251.286 0.685 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355635994 389106752 /nfs/dbraw/zinc/10/67/52/389106752.db2.gz FWFGBZBTLLOOQW-HIFRSBDPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355635994 389106757 /nfs/dbraw/zinc/10/67/57/389106757.db2.gz FWFGBZBTLLOOQW-HIFRSBDPSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378088 389110402 /nfs/dbraw/zinc/11/04/02/389110402.db2.gz GGYBXFPWUHODIF-BETUJISGSA-N 1 2 268.357 0.511 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378088 389110407 /nfs/dbraw/zinc/11/04/07/389110407.db2.gz GGYBXFPWUHODIF-BETUJISGSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339155697 389126862 /nfs/dbraw/zinc/12/68/62/389126862.db2.gz CYUWHJKOFHBEJL-RYUDHWBXSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339155697 389126863 /nfs/dbraw/zinc/12/68/63/389126863.db2.gz CYUWHJKOFHBEJL-RYUDHWBXSA-N 1 2 288.413 0.434 20 30 CCEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])NCC[NH+]1CCC1)CC2 ZINC000328718556 389133579 /nfs/dbraw/zinc/13/35/79/389133579.db2.gz PWODWNWYMSLISN-LLVKDONJSA-N 1 2 278.360 0.111 20 30 CCEDLO C=CC[N@@H+](Cc1nc(CC(=O)NC)no1)C1CC1 ZINC000357532940 389135428 /nfs/dbraw/zinc/13/54/28/389135428.db2.gz RAWJHBHEMVEGQR-UHFFFAOYSA-N 1 2 250.302 0.509 20 30 CCEDLO C=CC[N@H+](Cc1nc(CC(=O)NC)no1)C1CC1 ZINC000357532940 389135433 /nfs/dbraw/zinc/13/54/33/389135433.db2.gz RAWJHBHEMVEGQR-UHFFFAOYSA-N 1 2 250.302 0.509 20 30 CCEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC[C@]1(O)CCOC1 ZINC000328819954 389140009 /nfs/dbraw/zinc/14/00/09/389140009.db2.gz HMCBBVGTOSNBEZ-SMDDNHRTSA-N 1 2 294.355 0.416 20 30 CCEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000329649940 389182387 /nfs/dbraw/zinc/18/23/87/389182387.db2.gz CAIPWXQYBXNXNA-STQMWFEESA-N 1 2 283.372 0.138 20 30 CCEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000329649940 389182388 /nfs/dbraw/zinc/18/23/88/389182388.db2.gz CAIPWXQYBXNXNA-STQMWFEESA-N 1 2 283.372 0.138 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000329668539 389185179 /nfs/dbraw/zinc/18/51/79/389185179.db2.gz RATLCZDIWQVFGI-ZFWWWQNUSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329766537 389197798 /nfs/dbraw/zinc/19/77/98/389197798.db2.gz YHHNZFDSLXYPJC-RQJABVFESA-N 1 2 297.399 0.324 20 30 CCEDLO C=CCNC(=O)CS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000358508865 389153379 /nfs/dbraw/zinc/15/33/79/389153379.db2.gz IXDXRLBPNICCKE-UHFFFAOYSA-N 1 2 282.365 0.915 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc3nncn3c2)C1 ZINC000329358236 389159946 /nfs/dbraw/zinc/15/99/46/389159946.db2.gz HMDXZTFAGZAFPD-JTQLQIEISA-N 1 2 261.285 0.648 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc3nncn3c2)C1 ZINC000329358236 389159950 /nfs/dbraw/zinc/15/99/50/389159950.db2.gz HMDXZTFAGZAFPD-JTQLQIEISA-N 1 2 261.285 0.648 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000358786514 389160292 /nfs/dbraw/zinc/16/02/92/389160292.db2.gz BUXQTZDCMZNRND-MNOVXSKESA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000329820862 389204194 /nfs/dbraw/zinc/20/41/94/389204194.db2.gz POYPMEVBSKNIGR-RWMBFGLXSA-N 1 2 283.372 0.484 20 30 CCEDLO N#CCCCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000359118930 389166910 /nfs/dbraw/zinc/16/69/10/389166910.db2.gz VFRFFWXBPLVTEW-UHFFFAOYSA-N 1 2 270.358 0.886 20 30 CCEDLO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000329519130 389167980 /nfs/dbraw/zinc/16/79/80/389167980.db2.gz NWRSNDPOQSJJTB-QWHCGFSZSA-N 1 2 297.399 0.780 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H]21 ZINC000329517701 389168121 /nfs/dbraw/zinc/16/81/21/389168121.db2.gz DUZLIPKNTWFHTE-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@@H]21 ZINC000329517701 389168125 /nfs/dbraw/zinc/16/81/25/389168125.db2.gz DUZLIPKNTWFHTE-QWHCGFSZSA-N 1 2 272.308 0.108 20 30 CCEDLO CNC(=O)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329838294 389205017 /nfs/dbraw/zinc/20/50/17/389205017.db2.gz NIRWLKARIYZHGZ-SECBINFHSA-N 1 2 262.313 0.490 20 30 CCEDLO COc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000127847980 389175969 /nfs/dbraw/zinc/17/59/69/389175969.db2.gz JKCPKQATYDCRIT-UHFFFAOYSA-N 1 2 279.340 0.816 20 30 CCEDLO C[C@H](CO)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330574126 389242357 /nfs/dbraw/zinc/24/23/57/389242357.db2.gz LBHCJQHLKQTICB-LLVKDONJSA-N 1 2 273.377 0.324 20 30 CCEDLO C[C@H](CO)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330574126 389242359 /nfs/dbraw/zinc/24/23/59/389242359.db2.gz LBHCJQHLKQTICB-LLVKDONJSA-N 1 2 273.377 0.324 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H]2COCCO2)cc[nH+]1 ZINC000330582237 389243153 /nfs/dbraw/zinc/24/31/53/389243153.db2.gz LLHUUCMMTGVALP-LLVKDONJSA-N 1 2 251.286 0.553 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CSCC#N ZINC000330627683 389248270 /nfs/dbraw/zinc/24/82/70/389248270.db2.gz XNEVXEAZEOEEFZ-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CSCC#N ZINC000330627683 389248272 /nfs/dbraw/zinc/24/82/72/389248272.db2.gz XNEVXEAZEOEEFZ-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C=C(C)COCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000135020422 389252297 /nfs/dbraw/zinc/25/22/97/389252297.db2.gz RRBSAXXEXPRFSE-AWEZNQCLSA-N 1 2 297.399 0.695 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363809795 389254393 /nfs/dbraw/zinc/25/43/93/389254393.db2.gz BXDIXELPFGYLQW-LBPRGKRZSA-N 1 2 267.373 0.608 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363809795 389254394 /nfs/dbraw/zinc/25/43/94/389254394.db2.gz BXDIXELPFGYLQW-LBPRGKRZSA-N 1 2 267.373 0.608 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135506841 389258028 /nfs/dbraw/zinc/25/80/28/389258028.db2.gz GOYOTDDIUIUFBR-UHFFFAOYSA-N 1 2 267.329 0.253 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135506841 389258031 /nfs/dbraw/zinc/25/80/31/389258031.db2.gz GOYOTDDIUIUFBR-UHFFFAOYSA-N 1 2 267.329 0.253 20 30 CCEDLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000136063655 389264156 /nfs/dbraw/zinc/26/41/56/389264156.db2.gz HFIAGVSWLXPCQP-UHFFFAOYSA-N 1 2 265.313 0.913 20 30 CCEDLO CC[C@H](NC(=O)CN1CCOCC1=O)c1[nH]cc[nH+]1 ZINC000329868275 389207822 /nfs/dbraw/zinc/20/78/22/389207822.db2.gz XFVTWBSQWPSLMK-VIFPVBQESA-N 1 2 266.301 0.676 20 30 CCEDLO C=CCOC[C@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OC ZINC000361113150 389208649 /nfs/dbraw/zinc/20/86/49/389208649.db2.gz KLXQLSUVDHISQI-NEPJUHHUSA-N 1 2 257.330 0.747 20 30 CCEDLO Cn1ccnc1C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329913343 389210687 /nfs/dbraw/zinc/21/06/87/389210687.db2.gz XGWFAGKTTUIQHS-LLVKDONJSA-N 1 2 288.355 0.883 20 30 CCEDLO Cc1noc(CCNC(=O)C(C)(C)[NH+]2CCOCC2)n1 ZINC000329907953 389210855 /nfs/dbraw/zinc/21/08/55/389210855.db2.gz UBRDPYGNZHAFHN-UHFFFAOYSA-N 1 2 282.344 0.988 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cn1 ZINC000329940144 389213638 /nfs/dbraw/zinc/21/36/38/389213638.db2.gz UGNSBOQZFHVVJU-NWDGAFQWSA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cn1 ZINC000329940144 389213640 /nfs/dbraw/zinc/21/36/40/389213640.db2.gz UGNSBOQZFHVVJU-NWDGAFQWSA-N 1 2 277.328 0.345 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245707687 389216970 /nfs/dbraw/zinc/21/69/70/389216970.db2.gz DPTCRGMAGSBSFL-VXGBXAGGSA-N 1 2 287.354 0.786 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245707687 389216972 /nfs/dbraw/zinc/21/69/72/389216972.db2.gz DPTCRGMAGSBSFL-VXGBXAGGSA-N 1 2 287.354 0.786 20 30 CCEDLO Cc1nc(C)n(C[C@H]2C[N@H+](CCCC#N)CCO2)n1 ZINC000330364934 389221336 /nfs/dbraw/zinc/22/13/36/389221336.db2.gz AOLQFDUGZAPVRA-CYBMUJFWSA-N 1 2 263.345 0.900 20 30 CCEDLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCCC#N)CCO2)n1 ZINC000330364934 389221339 /nfs/dbraw/zinc/22/13/39/389221339.db2.gz AOLQFDUGZAPVRA-CYBMUJFWSA-N 1 2 263.345 0.900 20 30 CCEDLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000342604601 389229178 /nfs/dbraw/zinc/22/91/78/389229178.db2.gz IKAKFVLXOOSLEC-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@H+](CC(=O)OC)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000342604601 389229180 /nfs/dbraw/zinc/22/91/80/389229180.db2.gz IKAKFVLXOOSLEC-CYBMUJFWSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@@H+](CC(=O)OC)C[C@H](O)COc1ccc(C#N)cc1 ZINC000342604620 389229258 /nfs/dbraw/zinc/22/92/58/389229258.db2.gz IKAKFVLXOOSLEC-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CC[N@H+](CC(=O)OC)C[C@H](O)COc1ccc(C#N)cc1 ZINC000342604620 389229260 /nfs/dbraw/zinc/22/92/60/389229260.db2.gz IKAKFVLXOOSLEC-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330461176 389231521 /nfs/dbraw/zinc/23/15/21/389231521.db2.gz LHFJUWRIHBIQBZ-OLZOCXBDSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330461176 389231522 /nfs/dbraw/zinc/23/15/22/389231522.db2.gz LHFJUWRIHBIQBZ-OLZOCXBDSA-N 1 2 277.299 0.573 20 30 CCEDLO C=CCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000154773341 389314902 /nfs/dbraw/zinc/31/49/02/389314902.db2.gz SXMIMFKTWMOPQK-UHFFFAOYSA-N 1 2 296.392 0.938 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000264654896 389343140 /nfs/dbraw/zinc/34/31/40/389343140.db2.gz PMUPZKJLGXEOJY-CQSZACIVSA-N 1 2 287.367 0.926 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000264654896 389343143 /nfs/dbraw/zinc/34/31/43/389343143.db2.gz PMUPZKJLGXEOJY-CQSZACIVSA-N 1 2 287.367 0.926 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156188044 389324030 /nfs/dbraw/zinc/32/40/30/389324030.db2.gz BOGLVAYTRLWYBA-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156188044 389324033 /nfs/dbraw/zinc/32/40/33/389324033.db2.gz BOGLVAYTRLWYBA-ZJUUUORDSA-N 1 2 255.318 0.107 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)Cc1nc2ccccc2o1 ZINC000156206507 389324228 /nfs/dbraw/zinc/32/42/28/389324228.db2.gz PIBFVUTWQRDHHT-UHFFFAOYSA-N 1 2 258.281 0.899 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)Cc1nc2ccccc2o1 ZINC000156206507 389324231 /nfs/dbraw/zinc/32/42/31/389324231.db2.gz PIBFVUTWQRDHHT-UHFFFAOYSA-N 1 2 258.281 0.899 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366042832 389291975 /nfs/dbraw/zinc/29/19/75/389291975.db2.gz UPLKRYNODJLAIM-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO CN(CCC#N)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000345227728 389292462 /nfs/dbraw/zinc/29/24/62/389292462.db2.gz GTGVISYYCPZBEB-UHFFFAOYSA-N 1 2 283.357 0.173 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153554615 389302937 /nfs/dbraw/zinc/30/29/37/389302937.db2.gz OJNACXRHIODZCP-NSHDSACASA-N 1 2 275.343 0.950 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153554615 389302940 /nfs/dbraw/zinc/30/29/40/389302940.db2.gz OJNACXRHIODZCP-NSHDSACASA-N 1 2 275.343 0.950 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266857005 389367929 /nfs/dbraw/zinc/36/79/29/389367929.db2.gz HPXFRMADJYZPPH-SCZZXKLOSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266857005 389367933 /nfs/dbraw/zinc/36/79/33/389367933.db2.gz HPXFRMADJYZPPH-SCZZXKLOSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000348430090 389377134 /nfs/dbraw/zinc/37/71/34/389377134.db2.gz OHKFWNIQUAETLB-JTQLQIEISA-N 1 2 264.285 0.006 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C1=O ZINC000348474171 389378707 /nfs/dbraw/zinc/37/87/07/389378707.db2.gz OMPLNEQZGURVRU-BXKDBHETSA-N 1 2 290.323 0.390 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C1=O ZINC000348474171 389378709 /nfs/dbraw/zinc/37/87/09/389378709.db2.gz OMPLNEQZGURVRU-BXKDBHETSA-N 1 2 290.323 0.390 20 30 CCEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000411169065 389418587 /nfs/dbraw/zinc/41/85/87/389418587.db2.gz CJONDKRIIKMXPX-ZDUSSCGKSA-N 1 2 292.383 0.445 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000347017517 389345189 /nfs/dbraw/zinc/34/51/89/389345189.db2.gz DRKXOJRECOSVKK-UPJWGTAASA-N 1 2 295.383 0.673 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000347017517 389345193 /nfs/dbraw/zinc/34/51/93/389345193.db2.gz DRKXOJRECOSVKK-UPJWGTAASA-N 1 2 295.383 0.673 20 30 CCEDLO N#CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000266554021 389365611 /nfs/dbraw/zinc/36/56/11/389365611.db2.gz VKYJNMAOGIYXRV-CYBMUJFWSA-N 1 2 293.327 0.920 20 30 CCEDLO N#CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000266554021 389365614 /nfs/dbraw/zinc/36/56/14/389365614.db2.gz VKYJNMAOGIYXRV-CYBMUJFWSA-N 1 2 293.327 0.920 20 30 CCEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000413281828 389488838 /nfs/dbraw/zinc/48/88/38/389488838.db2.gz NZMOAFSIDPUCDY-AWEZNQCLSA-N 1 2 295.383 0.486 20 30 CCEDLO CO[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162517933 389419849 /nfs/dbraw/zinc/41/98/49/389419849.db2.gz ZDGGHBFPFMUAEG-LBPRGKRZSA-N 1 2 269.345 0.096 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411877639 389454536 /nfs/dbraw/zinc/45/45/36/389454536.db2.gz RLBSUEIWUSOYST-DGCLKSJQSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411877639 389454537 /nfs/dbraw/zinc/45/45/37/389454537.db2.gz RLBSUEIWUSOYST-DGCLKSJQSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000372641620 389455144 /nfs/dbraw/zinc/45/51/44/389455144.db2.gz DFCGOJCUYIGZTB-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000372641620 389455150 /nfs/dbraw/zinc/45/51/50/389455150.db2.gz DFCGOJCUYIGZTB-UHFFFAOYSA-N 1 2 297.399 0.250 20 30 CCEDLO C#C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000274839308 389507193 /nfs/dbraw/zinc/50/71/93/389507193.db2.gz TYXSHCLCCJNPHS-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000351187942 389568744 /nfs/dbraw/zinc/56/87/44/389568744.db2.gz WIEYFXLMHUXIEB-AWEZNQCLSA-N 1 2 260.337 0.940 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373730992 389510941 /nfs/dbraw/zinc/51/09/41/389510941.db2.gz YDEYDEWRWBTFPN-WDEREUQCSA-N 1 2 260.297 0.196 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277379313 389556105 /nfs/dbraw/zinc/55/61/05/389556105.db2.gz HQBILLILYUOOBC-VGTOOOLASA-N 1 2 258.387 0.378 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277379313 389556111 /nfs/dbraw/zinc/55/61/11/389556111.db2.gz HQBILLILYUOOBC-VGTOOOLASA-N 1 2 258.387 0.378 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2CC2)C1=O ZINC000281245692 389611987 /nfs/dbraw/zinc/61/19/87/389611987.db2.gz GLIXUQSKPMFYAT-GFCCVEGCSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)C2CC2)C1=O ZINC000281245692 389611989 /nfs/dbraw/zinc/61/19/89/389611989.db2.gz GLIXUQSKPMFYAT-GFCCVEGCSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281332905 389613972 /nfs/dbraw/zinc/61/39/72/389613972.db2.gz LYHYEALISLLDMY-LLVKDONJSA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281332905 389613979 /nfs/dbraw/zinc/61/39/79/389613979.db2.gz LYHYEALISLLDMY-LLVKDONJSA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCCOC)C1=O ZINC000281375197 389615552 /nfs/dbraw/zinc/61/55/52/389615552.db2.gz ORSWPHAGAZFJES-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCCOC)C1=O ZINC000281375197 389615557 /nfs/dbraw/zinc/61/55/57/389615557.db2.gz ORSWPHAGAZFJES-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO N#CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000178725257 389617829 /nfs/dbraw/zinc/61/78/29/389617829.db2.gz QPHVXDDKSHJQQZ-CYBMUJFWSA-N 1 2 276.384 0.576 20 30 CCEDLO C=CCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC000424662095 389628735 /nfs/dbraw/zinc/62/87/35/389628735.db2.gz IVLUNJYMSHFZGI-UHFFFAOYSA-N 1 2 260.301 0.550 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000424732590 389630310 /nfs/dbraw/zinc/63/03/10/389630310.db2.gz HMMXHHQUTPMPEN-LBPRGKRZSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(C)=O)C[C@H]2C)C1=O ZINC000281959898 389639749 /nfs/dbraw/zinc/63/97/49/389639749.db2.gz KIBZRWJMKSGVNN-YPMHNXCESA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(C)=O)C[C@H]2C)C1=O ZINC000281959898 389639752 /nfs/dbraw/zinc/63/97/52/389639752.db2.gz KIBZRWJMKSGVNN-YPMHNXCESA-N 1 2 265.357 0.326 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC(F)(F)F)C1=O ZINC000281985429 389643253 /nfs/dbraw/zinc/64/32/53/389643253.db2.gz MKUXOTFZLZUECQ-SECBINFHSA-N 1 2 293.289 0.384 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC(F)(F)F)C1=O ZINC000281985429 389643255 /nfs/dbraw/zinc/64/32/55/389643255.db2.gz MKUXOTFZLZUECQ-SECBINFHSA-N 1 2 293.289 0.384 20 30 CCEDLO N#C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000177754345 389591491 /nfs/dbraw/zinc/59/14/91/389591491.db2.gz PEHRHFZDDZECFQ-LBPRGKRZSA-N 1 2 285.307 0.768 20 30 CCEDLO CC[C@H](C)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000178024990 389596429 /nfs/dbraw/zinc/59/64/29/389596429.db2.gz KPFMSMYVTIXYGR-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO CCC[C@@H]1CCC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414157942 389603065 /nfs/dbraw/zinc/60/30/65/389603065.db2.gz XBGZYCWOIISCSY-OLZOCXBDSA-N 1 2 295.383 0.758 20 30 CCEDLO CCC[C@@H]1CCC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414157942 389603070 /nfs/dbraw/zinc/60/30/70/389603070.db2.gz XBGZYCWOIISCSY-OLZOCXBDSA-N 1 2 295.383 0.758 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181271277 389683346 /nfs/dbraw/zinc/68/33/46/389683346.db2.gz ZLBCYSMPBLFCFP-ZJUUUORDSA-N 1 2 295.305 0.850 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181271277 389683349 /nfs/dbraw/zinc/68/33/49/389683349.db2.gz ZLBCYSMPBLFCFP-ZJUUUORDSA-N 1 2 295.305 0.850 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)OCC ZINC000429708476 389767028 /nfs/dbraw/zinc/76/70/28/389767028.db2.gz KFNOYEMOMYVKJZ-NSHDSACASA-N 1 2 256.346 0.952 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)OCC ZINC000429708476 389767030 /nfs/dbraw/zinc/76/70/30/389767030.db2.gz KFNOYEMOMYVKJZ-NSHDSACASA-N 1 2 256.346 0.952 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352467480 389815829 /nfs/dbraw/zinc/81/58/29/389815829.db2.gz LBASWJCHCBVFPW-LLVKDONJSA-N 1 2 294.359 0.114 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430673510 389817073 /nfs/dbraw/zinc/81/70/73/389817073.db2.gz DEVDBEOHNIUZHD-LBPRGKRZSA-N 1 2 279.388 0.225 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430673510 389817075 /nfs/dbraw/zinc/81/70/75/389817075.db2.gz DEVDBEOHNIUZHD-LBPRGKRZSA-N 1 2 279.388 0.225 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000408213465 389835480 /nfs/dbraw/zinc/83/54/80/389835480.db2.gz HHOFWFHYOSUTDW-AAEUAGOBSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000408213465 389835485 /nfs/dbraw/zinc/83/54/85/389835485.db2.gz HHOFWFHYOSUTDW-AAEUAGOBSA-N 1 2 263.341 0.660 20 30 CCEDLO CN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408217075 389835667 /nfs/dbraw/zinc/83/56/67/389835667.db2.gz XNPPVHDESJFNFN-SNVBAGLBSA-N 1 2 283.357 0.637 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@H+](CCC#N)CC1CC1 ZINC000336711372 262382506 /nfs/dbraw/zinc/38/25/06/262382506.db2.gz PTSWRKZXQOHKDJ-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C)S(=O)(=O)CC[N@@H+](CCC#N)CC1CC1 ZINC000336711372 262382508 /nfs/dbraw/zinc/38/25/08/262382508.db2.gz PTSWRKZXQOHKDJ-UHFFFAOYSA-N 1 2 259.375 0.503 20 30 CCEDLO CC(C)[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000432830151 389890301 /nfs/dbraw/zinc/89/03/01/389890301.db2.gz SKARKAGUKGJFMV-CQSZACIVSA-N 1 2 269.389 0.551 20 30 CCEDLO CC(C)[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000432830151 389890303 /nfs/dbraw/zinc/89/03/03/389890303.db2.gz SKARKAGUKGJFMV-CQSZACIVSA-N 1 2 269.389 0.551 20 30 CCEDLO CC(C)[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000432830151 389890304 /nfs/dbraw/zinc/89/03/04/389890304.db2.gz SKARKAGUKGJFMV-CQSZACIVSA-N 1 2 269.389 0.551 20 30 CCEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(C)(C)C#N ZINC000433318671 389908884 /nfs/dbraw/zinc/90/88/84/389908884.db2.gz OZLSCNOWNZYHHW-LLVKDONJSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433318671 389908886 /nfs/dbraw/zinc/90/88/86/389908886.db2.gz OZLSCNOWNZYHHW-LLVKDONJSA-N 1 2 294.399 0.593 20 30 CCEDLO Cc1cc(OC[C@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000434638257 389939453 /nfs/dbraw/zinc/93/94/53/389939453.db2.gz SRDYJZPJRRSLEY-CQSZACIVSA-N 1 2 276.336 0.939 20 30 CCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584050 389988040 /nfs/dbraw/zinc/98/80/40/389988040.db2.gz BEHBJBJRGLNCSM-FZMZJTMJSA-N 1 2 265.357 0.763 20 30 CCEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000459350305 390073132 /nfs/dbraw/zinc/07/31/32/390073132.db2.gz OPAYJALWTHQUSG-UHFFFAOYSA-N 1 2 293.323 0.889 20 30 CCEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000459350305 390073133 /nfs/dbraw/zinc/07/31/33/390073133.db2.gz OPAYJALWTHQUSG-UHFFFAOYSA-N 1 2 293.323 0.889 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CN(C)C(=O)O2)n1 ZINC000491069611 390109627 /nfs/dbraw/zinc/10/96/27/390109627.db2.gz XHCFWCCEJGLKLT-ZDUSSCGKSA-N 1 2 276.340 0.789 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CN(C)C(=O)O2)n1 ZINC000491069611 390109628 /nfs/dbraw/zinc/10/96/28/390109628.db2.gz XHCFWCCEJGLKLT-ZDUSSCGKSA-N 1 2 276.340 0.789 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000491738808 390116416 /nfs/dbraw/zinc/11/64/16/390116416.db2.gz GQFWJHYNDIZBBM-SNVBAGLBSA-N 1 2 292.339 0.489 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000491738808 390116417 /nfs/dbraw/zinc/11/64/17/390116417.db2.gz GQFWJHYNDIZBBM-SNVBAGLBSA-N 1 2 292.339 0.489 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494314452 390164887 /nfs/dbraw/zinc/16/48/87/390164887.db2.gz KFSFXHOZXBSHKU-NEPJUHHUSA-N 1 2 294.355 0.273 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494314452 390164889 /nfs/dbraw/zinc/16/48/89/390164889.db2.gz KFSFXHOZXBSHKU-NEPJUHHUSA-N 1 2 294.355 0.273 20 30 CCEDLO CC(C)NC(=O)OC1CN(C[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000496089029 390297727 /nfs/dbraw/zinc/29/77/27/390297727.db2.gz AYJAYEOLMCITLV-GFCCVEGCSA-N 1 2 298.387 0.012 20 30 CCEDLO CC(C)NC(=O)OC1CN(C[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000496089029 390297728 /nfs/dbraw/zinc/29/77/28/390297728.db2.gz AYJAYEOLMCITLV-GFCCVEGCSA-N 1 2 298.387 0.012 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)nc1 ZINC000496087029 390297790 /nfs/dbraw/zinc/29/77/90/390297790.db2.gz OEEPCOUXAHYKTH-ZDUSSCGKSA-N 1 2 272.308 0.980 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)nc1 ZINC000496087029 390297792 /nfs/dbraw/zinc/29/77/92/390297792.db2.gz OEEPCOUXAHYKTH-ZDUSSCGKSA-N 1 2 272.308 0.980 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(cn1)OCCO2 ZINC000583997415 390331670 /nfs/dbraw/zinc/33/16/70/390331670.db2.gz GZDLWKIIWSOGHJ-CQSZACIVSA-N 1 2 290.323 0.426 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ccncc2C#N)[C@H](C)CO1 ZINC000596430252 390369763 /nfs/dbraw/zinc/36/97/63/390369763.db2.gz KSIWQEOWJSVCSX-VXGBXAGGSA-N 1 2 260.341 0.896 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ccncc2C#N)[C@H](C)CO1 ZINC000596430252 390369766 /nfs/dbraw/zinc/36/97/66/390369766.db2.gz KSIWQEOWJSVCSX-VXGBXAGGSA-N 1 2 260.341 0.896 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000645009603 390361511 /nfs/dbraw/zinc/36/15/11/390361511.db2.gz WXZFXUDCWJMMKI-GFCCVEGCSA-N 1 2 259.371 0.393 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000645009603 390361516 /nfs/dbraw/zinc/36/15/16/390361516.db2.gz WXZFXUDCWJMMKI-GFCCVEGCSA-N 1 2 259.371 0.393 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000648866726 390428897 /nfs/dbraw/zinc/42/88/97/390428897.db2.gz KNVPNSWFRFMCKX-JTQLQIEISA-N 1 2 272.312 0.405 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000645178935 390383807 /nfs/dbraw/zinc/38/38/07/390383807.db2.gz ZJXDHQQGKODZTH-NEPJUHHUSA-N 1 2 264.329 0.345 20 30 CCEDLO CN(C)C(=O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000563828447 390494436 /nfs/dbraw/zinc/49/44/36/390494436.db2.gz XMXBJLUVBXQUSV-UHFFFAOYSA-N 1 2 296.415 0.403 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000649184259 390513323 /nfs/dbraw/zinc/51/33/23/390513323.db2.gz GMBYSKALPDUXSL-LBPRGKRZSA-N 1 2 284.319 0.771 20 30 CCEDLO COC(=O)c1nn(C)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000555685521 390462934 /nfs/dbraw/zinc/46/29/34/390462934.db2.gz NNOLODBVIPRVCL-UHFFFAOYSA-N 1 2 262.313 0.909 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)s1 ZINC000566428437 390603097 /nfs/dbraw/zinc/60/30/97/390603097.db2.gz GJCYTEJYDWQRPR-SECBINFHSA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)s1 ZINC000566428437 390603105 /nfs/dbraw/zinc/60/31/05/390603105.db2.gz GJCYTEJYDWQRPR-SECBINFHSA-N 1 2 265.338 0.696 20 30 CCEDLO CC#CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000568532507 390714235 /nfs/dbraw/zinc/71/42/35/390714235.db2.gz BBGSKXPCSTZQCC-UHFFFAOYSA-N 1 2 285.347 0.966 20 30 CCEDLO N#CCC1(CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000568462960 390714301 /nfs/dbraw/zinc/71/43/01/390714301.db2.gz WZUHOBPRBPLZJC-UHFFFAOYSA-N 1 2 297.362 0.984 20 30 CCEDLO COc1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000569815369 390716546 /nfs/dbraw/zinc/71/65/46/390716546.db2.gz TUSHIZKJUHCXKY-LBPRGKRZSA-N 1 2 263.301 0.059 20 30 CCEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000526057954 390675149 /nfs/dbraw/zinc/67/51/49/390675149.db2.gz FWXRNRNFYFLPEC-IUCAKERBSA-N 1 2 277.328 0.980 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000528639436 390765842 /nfs/dbraw/zinc/76/58/42/390765842.db2.gz CWFQGUMEIDVOMA-HXUWFJFHSA-N 1 2 299.440 0.839 20 30 CCEDLO Cc1cc(NCC2CCS(=O)(=O)CC2)c(C#N)c[nH+]1 ZINC000578188013 390868942 /nfs/dbraw/zinc/86/89/42/390868942.db2.gz OGSDQIJPACHLDV-UHFFFAOYSA-N 1 2 279.365 0.920 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OC ZINC000578667218 390897725 /nfs/dbraw/zinc/89/77/25/390897725.db2.gz JVRMWLCQEQZAFU-ZYHUDNBSSA-N 1 2 295.339 0.449 20 30 CCEDLO C=CCOC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000578667218 390897727 /nfs/dbraw/zinc/89/77/27/390897727.db2.gz JVRMWLCQEQZAFU-ZYHUDNBSSA-N 1 2 295.339 0.449 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191358969 130225847 /nfs/dbraw/zinc/22/58/47/130225847.db2.gz RYBNDGMAJSSKKZ-JTQLQIEISA-N 1 2 269.370 0.762 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191358969 130225850 /nfs/dbraw/zinc/22/58/50/130225850.db2.gz RYBNDGMAJSSKKZ-JTQLQIEISA-N 1 2 269.370 0.762 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1C#N ZINC000191502511 130245241 /nfs/dbraw/zinc/24/52/41/130245241.db2.gz PNHJQUNSDKNYCE-AWEZNQCLSA-N 1 2 261.325 0.888 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1C#N ZINC000191502511 130245244 /nfs/dbraw/zinc/24/52/44/130245244.db2.gz PNHJQUNSDKNYCE-AWEZNQCLSA-N 1 2 261.325 0.888 20 30 CCEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000263763293 131324965 /nfs/dbraw/zinc/32/49/65/131324965.db2.gz VFWIKYHEFHWBEO-UHFFFAOYSA-N 1 2 284.363 0.913 20 30 CCEDLO COC[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660294 132044176 /nfs/dbraw/zinc/04/41/76/132044176.db2.gz IFRZQTRMOWCWQM-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO COC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000268660294 132044178 /nfs/dbraw/zinc/04/41/78/132044178.db2.gz IFRZQTRMOWCWQM-HUUCEWRRSA-N 1 2 276.336 0.939 20 30 CCEDLO N#Cc1cc(F)c(NC[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000269360061 132160063 /nfs/dbraw/zinc/16/00/63/132160063.db2.gz MJIYRJGAMDVPAB-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490274 397465977 /nfs/dbraw/zinc/46/59/77/397465977.db2.gz HVBOSYDKKVCHKH-UHFFFAOYSA-N 1 2 291.330 0.970 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2C[C@@H]2C(F)F)c1C#N ZINC000548928206 286079987 /nfs/dbraw/zinc/07/99/87/286079987.db2.gz SXGMUQKBJFRISD-YUMQZZPRSA-N 1 2 297.309 0.695 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H]2COC[C@H]2OCC)nn1 ZINC000653755401 412341696 /nfs/dbraw/zinc/34/16/96/412341696.db2.gz PADDGSSDQVCSEW-CHWSQXEVSA-N 1 2 266.345 0.748 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660963673 414538813 /nfs/dbraw/zinc/53/88/13/414538813.db2.gz ALQDGBYQPZRAKR-GFCCVEGCSA-N 1 2 251.330 0.126 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC(=O)N(C)CC2)nn1 ZINC000661804725 414675679 /nfs/dbraw/zinc/67/56/79/414675679.db2.gz KQYYDVRABUFABN-UHFFFAOYSA-N 1 2 263.345 0.518 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC(=O)N(C)CC2)nn1 ZINC000661804725 414675682 /nfs/dbraw/zinc/67/56/82/414675682.db2.gz KQYYDVRABUFABN-UHFFFAOYSA-N 1 2 263.345 0.518 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@H](C)COC ZINC000663638730 415101065 /nfs/dbraw/zinc/10/10/65/415101065.db2.gz QWESJEWILPSHSQ-UONOGXRCSA-N 1 2 299.415 0.940 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000353996425 287381276 /nfs/dbraw/zinc/38/12/76/287381276.db2.gz DAPGOXXFSGMWQK-JSGCOSHPSA-N 1 2 283.372 0.078 20 30 CCEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ncn1 ZINC000575222730 335083313 /nfs/dbraw/zinc/08/33/13/335083313.db2.gz QMVGICAZKMSZBI-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329047958 227272580 /nfs/dbraw/zinc/27/25/80/227272580.db2.gz GHGXHMZLUUEDJS-GRYCIOLGSA-N 1 2 283.372 0.673 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329047958 227272584 /nfs/dbraw/zinc/27/25/84/227272584.db2.gz GHGXHMZLUUEDJS-GRYCIOLGSA-N 1 2 283.372 0.673 20 30 CCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000330028053 228020500 /nfs/dbraw/zinc/02/05/00/228020500.db2.gz NWUFXRGLINIUQM-WYUUTHIRSA-N 1 2 276.340 0.768 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000338218246 545052431 /nfs/dbraw/zinc/05/24/31/545052431.db2.gz WOFYJDVKZISTRG-OAHLLOKOSA-N 1 2 284.400 0.742 20 30 CCEDLO CCNC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000048610022 260201564 /nfs/dbraw/zinc/20/15/64/260201564.db2.gz IHWMQNBGJGSGQF-UHFFFAOYSA-N 1 2 281.312 0.477 20 30 CCEDLO CC(C)(CNC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000128231969 260373502 /nfs/dbraw/zinc/37/35/02/260373502.db2.gz NNCWMEIFVNBOHW-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000408193891 260594919 /nfs/dbraw/zinc/59/49/19/260594919.db2.gz UNOVOPOBQHFNSA-UHFFFAOYSA-N 1 2 271.386 0.648 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CC3)CC2)C1=O ZINC000520958860 261072433 /nfs/dbraw/zinc/07/24/33/261072433.db2.gz PQRMVVKKINGLQR-CYBMUJFWSA-N 1 2 277.368 0.328 20 30 CCEDLO C#CCN(Cc1cc(OC)cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000490866779 261231380 /nfs/dbraw/zinc/23/13/80/261231380.db2.gz UPXBSWOGUCBHSA-ZDUSSCGKSA-N 1 2 294.376 0.713 20 30 CCEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000249056878 261239454 /nfs/dbraw/zinc/23/94/54/261239454.db2.gz NKGGHLBLUGSCNC-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000249056878 261239456 /nfs/dbraw/zinc/23/94/56/261239456.db2.gz NKGGHLBLUGSCNC-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC000491819059 262096851 /nfs/dbraw/zinc/09/68/51/262096851.db2.gz SEFVRXNIMQEZKJ-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC000491819059 262096854 /nfs/dbraw/zinc/09/68/54/262096854.db2.gz SEFVRXNIMQEZKJ-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000275418445 263033111 /nfs/dbraw/zinc/03/31/11/263033111.db2.gz DJHWIUWUEDRSFB-UHFFFAOYSA-N 1 2 281.312 0.695 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000275554908 263033541 /nfs/dbraw/zinc/03/35/41/263033541.db2.gz VQXMVVASHXOEOI-UHFFFAOYSA-N 1 2 277.324 0.785 20 30 CCEDLO NC(CCO)=[NH+]OCc1nncn1-c1ccccc1 ZINC000277615039 263042438 /nfs/dbraw/zinc/04/24/38/263042438.db2.gz NQEADBDTDVDKCM-UHFFFAOYSA-N 1 2 261.285 0.439 20 30 CCEDLO CO/N=C/C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000282833708 263078978 /nfs/dbraw/zinc/07/89/78/263078978.db2.gz AOJSSTOCGCVAOT-MHWRWJLKSA-N 1 2 278.312 0.167 20 30 CCEDLO CNC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000298741563 263225156 /nfs/dbraw/zinc/22/51/56/263225156.db2.gz DAFZNBQSRKOFAG-UHFFFAOYSA-N 1 2 267.285 0.087 20 30 CCEDLO C=CC[C@@H](CO)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000340902191 263308808 /nfs/dbraw/zinc/30/88/08/263308808.db2.gz TWAQKXJBSDJBEZ-SNVBAGLBSA-N 1 2 274.328 0.841 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370034060 263322539 /nfs/dbraw/zinc/32/25/39/263322539.db2.gz WBZSIJULJYZPBY-MDZLAQPJSA-N 1 2 250.342 0.624 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370034060 263322540 /nfs/dbraw/zinc/32/25/40/263322540.db2.gz WBZSIJULJYZPBY-MDZLAQPJSA-N 1 2 250.342 0.624 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000342025427 263380036 /nfs/dbraw/zinc/38/00/36/263380036.db2.gz VKSBUYCSJXKNHO-UHFFFAOYSA-N 1 2 251.330 0.517 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342299420 263414506 /nfs/dbraw/zinc/41/45/06/263414506.db2.gz ZPYYEXPNUMLMDQ-NFAWXSAZSA-N 1 2 282.384 0.635 20 30 CCEDLO C=CCN1CC[C@@H](N(C)Cc2[nH+]cc(C)n2C)C1=O ZINC000342862611 263533887 /nfs/dbraw/zinc/53/38/87/263533887.db2.gz TWLLXKMXIMSCQY-GFCCVEGCSA-N 1 2 262.357 0.947 20 30 CCEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000330642077 263985153 /nfs/dbraw/zinc/98/51/53/263985153.db2.gz CEUVYSRUPHSUJD-UHFFFAOYSA-N 1 2 281.356 0.680 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000330837901 264052120 /nfs/dbraw/zinc/05/21/20/264052120.db2.gz LESDNXLHIGENFL-DGCLKSJQSA-N 1 2 285.413 0.451 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000330837901 264052122 /nfs/dbraw/zinc/05/21/22/264052122.db2.gz LESDNXLHIGENFL-DGCLKSJQSA-N 1 2 285.413 0.451 20 30 CCEDLO Cc1cnc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(O)c1 ZINC000330887364 264063242 /nfs/dbraw/zinc/06/32/42/264063242.db2.gz SKQZQJNUHGMGIA-NSHDSACASA-N 1 2 295.339 0.093 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331124991 264132277 /nfs/dbraw/zinc/13/22/77/264132277.db2.gz HJEXQJBQQHLQPA-JTQLQIEISA-N 1 2 269.345 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331124991 264132279 /nfs/dbraw/zinc/13/22/79/264132279.db2.gz HJEXQJBQQHLQPA-JTQLQIEISA-N 1 2 269.345 0.702 20 30 CCEDLO Cn1cnc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331312112 264187176 /nfs/dbraw/zinc/18/71/76/264187176.db2.gz CCQXJSGHYCLNII-UHFFFAOYSA-N 1 2 266.345 0.836 20 30 CCEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000331358564 264208429 /nfs/dbraw/zinc/20/84/29/264208429.db2.gz VIXCMWJOIQBYLC-GFCCVEGCSA-N 1 2 284.404 0.795 20 30 CCEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000331358564 264208432 /nfs/dbraw/zinc/20/84/32/264208432.db2.gz VIXCMWJOIQBYLC-GFCCVEGCSA-N 1 2 284.404 0.795 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000076833765 264343935 /nfs/dbraw/zinc/34/39/35/264343935.db2.gz OMWFCMQYXWNCAY-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000076833765 264343936 /nfs/dbraw/zinc/34/39/36/264343936.db2.gz OMWFCMQYXWNCAY-VXGBXAGGSA-N 1 2 253.346 0.715 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000130579915 264361107 /nfs/dbraw/zinc/36/11/07/264361107.db2.gz WQWYJQXJMPMCAG-LLVKDONJSA-N 1 2 253.346 0.279 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000130579915 264361109 /nfs/dbraw/zinc/36/11/09/264361109.db2.gz WQWYJQXJMPMCAG-LLVKDONJSA-N 1 2 253.346 0.279 20 30 CCEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C#N)ncn2)CC1 ZINC000527383939 267118266 /nfs/dbraw/zinc/11/82/66/267118266.db2.gz VUEMWJKMHAJFMO-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C#N)ncn2)CC1 ZINC000527383939 267118268 /nfs/dbraw/zinc/11/82/68/267118268.db2.gz VUEMWJKMHAJFMO-UHFFFAOYSA-N 1 2 289.339 0.423 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368881227 267210343 /nfs/dbraw/zinc/21/03/43/267210343.db2.gz XRVKTZPQAUANEG-GXTWGEPZSA-N 1 2 290.371 0.579 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368881227 267210345 /nfs/dbraw/zinc/21/03/45/267210345.db2.gz XRVKTZPQAUANEG-GXTWGEPZSA-N 1 2 290.371 0.579 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000369548011 267249155 /nfs/dbraw/zinc/24/91/55/267249155.db2.gz HQLDLPMRLVYPIF-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000369548011 267249158 /nfs/dbraw/zinc/24/91/58/267249158.db2.gz HQLDLPMRLVYPIF-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375723456 267892753 /nfs/dbraw/zinc/89/27/53/267892753.db2.gz PVVYLPHLGXHJNE-NSHDSACASA-N 1 2 277.328 0.558 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375723456 267892754 /nfs/dbraw/zinc/89/27/54/267892754.db2.gz PVVYLPHLGXHJNE-NSHDSACASA-N 1 2 277.328 0.558 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376102427 267938829 /nfs/dbraw/zinc/93/88/29/267938829.db2.gz IASVNWHOOJCXGV-OCCSQVGLSA-N 1 2 265.357 0.859 20 30 CCEDLO C[C@H]1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)=NO1 ZINC000377095489 268047491 /nfs/dbraw/zinc/04/74/91/268047491.db2.gz YTUPIGASEZZDQG-CMPLNLGQSA-N 1 2 281.356 0.868 20 30 CCEDLO C[C@H]1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)=NO1 ZINC000377095489 268047494 /nfs/dbraw/zinc/04/74/94/268047494.db2.gz YTUPIGASEZZDQG-CMPLNLGQSA-N 1 2 281.356 0.868 20 30 CCEDLO CC#CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000377095192 268047543 /nfs/dbraw/zinc/04/75/43/268047543.db2.gz QUEPUQOHEBSRJW-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000377095192 268047544 /nfs/dbraw/zinc/04/75/44/268047544.db2.gz QUEPUQOHEBSRJW-ZDUSSCGKSA-N 1 2 250.342 0.769 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCOC1 ZINC000329320457 288521654 /nfs/dbraw/zinc/52/16/54/288521654.db2.gz GHNAPTMYUZAKMF-MGPQQGTHSA-N 1 2 297.399 0.874 20 30 CCEDLO CCc1nnc(C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220502 327979556 /nfs/dbraw/zinc/97/95/56/327979556.db2.gz PQBMRNXJKAJCIW-AWEZNQCLSA-N 1 2 275.356 0.921 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2ncnn21 ZINC000571093898 328085309 /nfs/dbraw/zinc/08/53/09/328085309.db2.gz GURSBNWUISLECQ-CYBMUJFWSA-N 1 2 272.312 0.303 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425289300 328099575 /nfs/dbraw/zinc/09/95/75/328099575.db2.gz CXMPGJXRFVHAQU-JSGCOSHPSA-N 1 2 270.373 0.398 20 30 CCEDLO COc1cc(C(N)=[NH+]OCCO)cc(Cl)c1OC ZINC000264901985 328162970 /nfs/dbraw/zinc/16/29/70/328162970.db2.gz YAPCOMZCWFWLNV-UHFFFAOYSA-N 1 2 274.704 0.986 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305104047 328393589 /nfs/dbraw/zinc/39/35/89/328393589.db2.gz AVVKSGLUBZXWII-LLVKDONJSA-N 1 2 280.290 0.924 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC000328907586 328459716 /nfs/dbraw/zinc/45/97/16/328459716.db2.gz LQYUTSXBUFYSTL-LLVKDONJSA-N 1 2 292.387 0.440 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000330712884 328469387 /nfs/dbraw/zinc/46/93/87/328469387.db2.gz WMVHJECXOBISIO-PWSUYJOCSA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@H](O)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000583333268 326807126 /nfs/dbraw/zinc/80/71/26/326807126.db2.gz KEALNZUZIRRGDK-LBPRGKRZSA-N 1 2 291.351 0.323 20 30 CCEDLO NC(=[NH+]OCCO)c1ccc(N2CCCCC2)nc1 ZINC000111997733 327283398 /nfs/dbraw/zinc/28/33/98/327283398.db2.gz AGAUHEQHKKUOEI-UHFFFAOYSA-N 1 2 264.329 0.701 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000560461757 327310457 /nfs/dbraw/zinc/31/04/57/327310457.db2.gz FZKRVLDSTOCEAY-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000560461757 327310458 /nfs/dbraw/zinc/31/04/58/327310458.db2.gz FZKRVLDSTOCEAY-WCQYABFASA-N 1 2 253.346 0.763 20 30 CCEDLO O=S(=O)(CC[NH2+]CC#CCO)c1ccccc1 ZINC000583441343 327366829 /nfs/dbraw/zinc/36/68/29/327366829.db2.gz WTOKYBAUKGTRTP-UHFFFAOYSA-N 1 2 253.323 0.046 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000489647946 332062975 /nfs/dbraw/zinc/06/29/75/332062975.db2.gz PXDROARWJCJIBZ-GFCCVEGCSA-N 1 2 276.402 0.281 20 30 CCEDLO C=CCNC(=O)CS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000357933562 328879572 /nfs/dbraw/zinc/87/95/72/328879572.db2.gz JVERGLYYOJLFJS-UHFFFAOYSA-N 1 2 293.348 0.551 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)cn1 ZINC000582488463 329096890 /nfs/dbraw/zinc/09/68/90/329096890.db2.gz GMXVJTDBOJMDHO-GFCCVEGCSA-N 1 2 250.277 0.794 20 30 CCEDLO C[C@@H](CC#N)N(C)CC(O)C[N@H+](C)[C@@H](C)CC#N ZINC000181802024 329237476 /nfs/dbraw/zinc/23/74/76/329237476.db2.gz JIQSDCWDCXIZNG-RYUDHWBXSA-N 1 2 252.362 0.815 20 30 CCEDLO C[C@@H](CC#N)N(C)CC(O)C[N@@H+](C)[C@@H](C)CC#N ZINC000181802024 329237477 /nfs/dbraw/zinc/23/74/77/329237477.db2.gz JIQSDCWDCXIZNG-RYUDHWBXSA-N 1 2 252.362 0.815 20 30 CCEDLO COc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000514675873 329374553 /nfs/dbraw/zinc/37/45/53/329374553.db2.gz LWVRURMOJLOLET-LBPRGKRZSA-N 1 2 265.317 0.002 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000191007762 329405811 /nfs/dbraw/zinc/40/58/11/329405811.db2.gz SMICFDJSXIWQJN-ZDUSSCGKSA-N 1 2 285.388 0.551 20 30 CCEDLO CC(=O)N1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000583266004 329410563 /nfs/dbraw/zinc/41/05/63/329410563.db2.gz AZIJEBLGWRVCJW-JSGCOSHPSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000420453766 329764972 /nfs/dbraw/zinc/76/49/72/329764972.db2.gz XMLPUDJXZSVDSA-SECBINFHSA-N 1 2 268.329 0.727 20 30 CCEDLO CC#CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458312596 331248213 /nfs/dbraw/zinc/24/82/13/331248213.db2.gz NHWOAPMHOOWPCV-CHWSQXEVSA-N 1 2 267.373 0.760 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000488972566 332036278 /nfs/dbraw/zinc/03/62/78/332036278.db2.gz FHNAKHORZDJRAN-LBPRGKRZSA-N 1 2 263.341 0.735 20 30 CCEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000488972566 332036280 /nfs/dbraw/zinc/03/62/80/332036280.db2.gz FHNAKHORZDJRAN-LBPRGKRZSA-N 1 2 263.341 0.735 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NC(C)(C)C ZINC000490691399 332104927 /nfs/dbraw/zinc/10/49/27/332104927.db2.gz VZJBWYOMYAZIAP-UHFFFAOYSA-N 1 2 263.341 0.569 20 30 CCEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NC(C)(C)C ZINC000490691399 332104928 /nfs/dbraw/zinc/10/49/28/332104928.db2.gz VZJBWYOMYAZIAP-UHFFFAOYSA-N 1 2 263.341 0.569 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCc2cc(=O)c(O)co2)CC1 ZINC000490867115 332122482 /nfs/dbraw/zinc/12/24/82/332122482.db2.gz ZZAZLXHEDVVPGH-UHFFFAOYSA-N 1 2 291.303 0.734 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000491048669 332143292 /nfs/dbraw/zinc/14/32/92/332143292.db2.gz YKORXZXNUFHRAP-JSGCOSHPSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000491048669 332143293 /nfs/dbraw/zinc/14/32/93/332143293.db2.gz YKORXZXNUFHRAP-JSGCOSHPSA-N 1 2 280.368 0.252 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2noc(CCC)n2)CC1 ZINC000491099864 332149607 /nfs/dbraw/zinc/14/96/07/332149607.db2.gz DJZYMJAOMXVAMF-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000491337731 332192222 /nfs/dbraw/zinc/19/22/22/332192222.db2.gz CFUFJMPGZOCGEQ-LBPRGKRZSA-N 1 2 292.408 0.571 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491371216 332198656 /nfs/dbraw/zinc/19/86/56/332198656.db2.gz DDRQZQWWURLZTN-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491371216 332198657 /nfs/dbraw/zinc/19/86/57/332198657.db2.gz DDRQZQWWURLZTN-NEPJUHHUSA-N 1 2 286.397 0.023 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000491615061 332242680 /nfs/dbraw/zinc/24/26/80/332242680.db2.gz ANVATZYSSQWNDV-QWHCGFSZSA-N 1 2 266.389 0.333 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000491615061 332242681 /nfs/dbraw/zinc/24/26/81/332242681.db2.gz ANVATZYSSQWNDV-QWHCGFSZSA-N 1 2 266.389 0.333 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NCCCC)C1CC1 ZINC000491621773 332246992 /nfs/dbraw/zinc/24/69/92/332246992.db2.gz IKWNNXUIIBCRKI-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NCCCC)C1CC1 ZINC000491621773 332246993 /nfs/dbraw/zinc/24/69/93/332246993.db2.gz IKWNNXUIIBCRKI-UHFFFAOYSA-N 1 2 251.330 0.710 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491624843 332248896 /nfs/dbraw/zinc/24/88/96/332248896.db2.gz KYGPFPPOPQXTEN-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491740340 332319417 /nfs/dbraw/zinc/31/94/17/332319417.db2.gz JTDWGNKKPLQUAJ-GFCCVEGCSA-N 1 2 265.357 0.562 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(C)CCCO3)n2C)CC1 ZINC000491753905 332329258 /nfs/dbraw/zinc/32/92/58/332329258.db2.gz QLQIQVNXVPNYAD-OAHLLOKOSA-N 1 2 289.383 0.596 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(Cc2ccccc2)no1 ZINC000185379778 333139582 /nfs/dbraw/zinc/13/95/82/333139582.db2.gz PRWKDOUCFWXQLJ-NSHDSACASA-N 1 2 299.334 0.951 20 30 CCEDLO Cc1cn2cc(NC(=O)NCC(=O)NCC#N)ccc2[nH+]1 ZINC000576182585 335166171 /nfs/dbraw/zinc/16/61/71/335166171.db2.gz PBBMCIOPDOCFLD-UHFFFAOYSA-N 1 2 286.295 0.404 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000136059486 334145688 /nfs/dbraw/zinc/14/56/88/334145688.db2.gz JOQWNLYUPKGPLA-LBPRGKRZSA-N 1 2 292.383 0.004 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248492858 334304016 /nfs/dbraw/zinc/30/40/16/334304016.db2.gz OTUGPKDNGCBGNW-FTNGCUSPSA-N 1 2 285.413 0.494 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248492858 334304017 /nfs/dbraw/zinc/30/40/17/334304017.db2.gz OTUGPKDNGCBGNW-FTNGCUSPSA-N 1 2 285.413 0.494 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(C2CC2)nc1 ZINC000565051999 334536723 /nfs/dbraw/zinc/53/67/23/334536723.db2.gz UDRDVMLSXDHAQG-CQSZACIVSA-N 1 2 273.340 0.928 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000565634551 334581977 /nfs/dbraw/zinc/58/19/77/334581977.db2.gz DPBVXEAEVGTOFH-CYBMUJFWSA-N 1 2 285.351 0.306 20 30 CCEDLO COC(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1C ZINC000568869728 334844336 /nfs/dbraw/zinc/84/43/36/334844336.db2.gz FSNPTSMSTSCSFD-AWEZNQCLSA-N 1 2 292.339 0.385 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343539535 335208709 /nfs/dbraw/zinc/20/87/09/335208709.db2.gz UUBBCBGPCREIOJ-KBPBESRZSA-N 1 2 274.320 0.861 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343539535 335208710 /nfs/dbraw/zinc/20/87/10/335208710.db2.gz UUBBCBGPCREIOJ-KBPBESRZSA-N 1 2 274.320 0.861 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COC[C@@H]1CCCO1 ZINC000579717495 335872497 /nfs/dbraw/zinc/87/24/97/335872497.db2.gz BKSZWAHVJHOJFW-AAEUAGOBSA-N 1 2 269.345 0.142 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000347210814 534026297 /nfs/dbraw/zinc/02/62/97/534026297.db2.gz UYJTUPWHPCUWJA-GHMZBOCLSA-N 1 2 278.356 0.135 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000347210814 534026304 /nfs/dbraw/zinc/02/63/04/534026304.db2.gz UYJTUPWHPCUWJA-GHMZBOCLSA-N 1 2 278.356 0.135 20 30 CCEDLO Cc1cc[nH+]c(C)c1NC(=O)Cn1ncn(C)c1=O ZINC000330139117 534385994 /nfs/dbraw/zinc/38/59/94/534385994.db2.gz OSSQMAWYRFLBCT-UHFFFAOYSA-N 1 2 261.285 0.882 20 30 CCEDLO N#CC1(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000347451093 534550407 /nfs/dbraw/zinc/55/04/07/534550407.db2.gz BFCLSAPEPIIBTO-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO N#CC1(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000347451093 534550410 /nfs/dbraw/zinc/55/04/10/534550410.db2.gz BFCLSAPEPIIBTO-GFCCVEGCSA-N 1 2 283.397 0.790 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C)[NH+]1C ZINC000157017318 525047017 /nfs/dbraw/zinc/04/70/17/525047017.db2.gz CVBQOKANQHXZKF-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ncc[nH]3)CC2)C1=O ZINC000331895109 526480864 /nfs/dbraw/zinc/48/08/64/526480864.db2.gz IEFSHFLQQFNCOY-CYBMUJFWSA-N 1 2 289.383 0.314 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000666139862 545113975 /nfs/dbraw/zinc/11/39/75/545113975.db2.gz YAXBQNCOKDAVKI-AWEZNQCLSA-N 1 2 263.341 0.815 20 30 CCEDLO C=CCNC(=O)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347905276 526567227 /nfs/dbraw/zinc/56/72/27/526567227.db2.gz UYYVQXHBIRUTPP-UHFFFAOYSA-N 1 2 298.346 0.963 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2CO)c1 ZINC000147422805 526729907 /nfs/dbraw/zinc/72/99/07/526729907.db2.gz HPAUOHORVHCVBR-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000147422805 526729911 /nfs/dbraw/zinc/72/99/11/526729911.db2.gz HPAUOHORVHCVBR-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347031026 527179188 /nfs/dbraw/zinc/17/91/88/527179188.db2.gz NNZAIJCSGKKOAM-GFCCVEGCSA-N 1 2 290.367 0.739 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333825155 527474287 /nfs/dbraw/zinc/47/42/87/527474287.db2.gz KNMSHVYVAVVQFC-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333825155 527474293 /nfs/dbraw/zinc/47/42/93/527474293.db2.gz KNMSHVYVAVVQFC-UPJWGTAASA-N 1 2 283.372 0.350 20 30 CCEDLO CCN1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000329047722 527717109 /nfs/dbraw/zinc/71/71/09/527717109.db2.gz JYFQGGSSIZVYQS-CHWSQXEVSA-N 1 2 285.388 0.384 20 30 CCEDLO CCN1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000330132831 527904132 /nfs/dbraw/zinc/90/41/32/527904132.db2.gz GFQNUNYANFUBFC-JTQLQIEISA-N 1 2 265.317 0.307 20 30 CCEDLO COCCC[N@H+](CCO)Cc1nc(C#N)cs1 ZINC000356402663 536523219 /nfs/dbraw/zinc/52/32/19/536523219.db2.gz ZBHGZTOLLSITDG-UHFFFAOYSA-N 1 2 255.343 0.846 20 30 CCEDLO COCCC[N@@H+](CCO)Cc1nc(C#N)cs1 ZINC000356402663 536523226 /nfs/dbraw/zinc/52/32/26/536523226.db2.gz ZBHGZTOLLSITDG-UHFFFAOYSA-N 1 2 255.343 0.846 20 30 CCEDLO CCCCOCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000345040073 528572852 /nfs/dbraw/zinc/57/28/52/528572852.db2.gz XAPONYMPOZFPRX-UHFFFAOYSA-N 1 2 297.399 0.878 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397930 545246055 /nfs/dbraw/zinc/24/60/55/545246055.db2.gz AACZNKPJMXUBSS-UHFFFAOYSA-N 1 2 287.363 0.763 20 30 CCEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678677592 545396386 /nfs/dbraw/zinc/39/63/86/545396386.db2.gz BAYRHMNXMNHMHO-VIFPVBQESA-N 1 2 258.281 0.964 20 30 CCEDLO C=CCOCCNC(=O)NCCNc1cccc[nH+]1 ZINC000679505069 545410964 /nfs/dbraw/zinc/41/09/64/545410964.db2.gz NRQQZWIOVWJHAW-UHFFFAOYSA-N 1 2 264.329 0.995 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)cc1 ZINC000319065312 536695725 /nfs/dbraw/zinc/69/57/25/536695725.db2.gz OOOPDEKDKTUHGF-ZDUSSCGKSA-N 1 2 298.302 0.795 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)cc1 ZINC000319065312 536695733 /nfs/dbraw/zinc/69/57/33/536695733.db2.gz OOOPDEKDKTUHGF-ZDUSSCGKSA-N 1 2 298.302 0.795 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683000671 545494628 /nfs/dbraw/zinc/49/46/28/545494628.db2.gz DZCISZZNTNMOOV-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO CN(C)C(=O)c1ccc(C=NNc2[nH+]ccn2C)[nH]1 ZINC000790305643 581183330 /nfs/dbraw/zinc/18/33/30/581183330.db2.gz LSNVWODPCDJPCN-UHFFFAOYSA-N 1 2 260.301 0.896 20 30 CCEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(F)cc1 ZINC000727488247 581321166 /nfs/dbraw/zinc/32/11/66/581321166.db2.gz MSDTYVVMNBCTMP-SECBINFHSA-N 1 2 253.233 0.571 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NCCNc1ncccc1C#N ZINC000728746446 581369510 /nfs/dbraw/zinc/36/95/10/581369510.db2.gz MRISBCJPUUQNOK-UHFFFAOYSA-N 1 2 299.338 0.598 20 30 CCEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@]2(CCOC2)O1 ZINC000794705987 581384139 /nfs/dbraw/zinc/38/41/39/581384139.db2.gz PHAGONMVIFVNRL-WFASDCNBSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@]2(CCOC2)O1 ZINC000794705987 581384141 /nfs/dbraw/zinc/38/41/41/581384141.db2.gz PHAGONMVIFVNRL-WFASDCNBSA-N 1 2 289.335 0.557 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000785309589 581405233 /nfs/dbraw/zinc/40/52/33/581405233.db2.gz NBGUAISNCAXOFD-CHWSQXEVSA-N 1 2 269.341 0.843 20 30 CCEDLO N#Cc1cc(C(=O)OCC[NH+]2CCOCC2)ccn1 ZINC000795967549 581429006 /nfs/dbraw/zinc/42/90/06/581429006.db2.gz YPHMHLHOAXSUHP-UHFFFAOYSA-N 1 2 261.281 0.442 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000787548642 581472496 /nfs/dbraw/zinc/47/24/96/581472496.db2.gz YPPYEUNJZSTXCJ-MNOVXSKESA-N 1 2 272.295 0.313 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000787548642 581472497 /nfs/dbraw/zinc/47/24/97/581472497.db2.gz YPPYEUNJZSTXCJ-MNOVXSKESA-N 1 2 272.295 0.313 20 30 CCEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCCC#N)ccc2n1C ZINC000787596246 581473531 /nfs/dbraw/zinc/47/35/31/581473531.db2.gz UIOCOWAUPVUSFI-UHFFFAOYSA-N 1 2 285.307 0.850 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000733998408 581537957 /nfs/dbraw/zinc/53/79/57/581537957.db2.gz UQCJXVXSONWGRW-UHFFFAOYSA-N 1 2 259.300 0.009 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000733998408 581537959 /nfs/dbraw/zinc/53/79/59/581537959.db2.gz UQCJXVXSONWGRW-UHFFFAOYSA-N 1 2 259.300 0.009 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000730278102 581690041 /nfs/dbraw/zinc/69/00/41/581690041.db2.gz JRWNDBDGZPKBEZ-ZDUSSCGKSA-N 1 2 277.368 0.213 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000730278102 581690044 /nfs/dbraw/zinc/69/00/44/581690044.db2.gz JRWNDBDGZPKBEZ-ZDUSSCGKSA-N 1 2 277.368 0.213 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000757637496 581704978 /nfs/dbraw/zinc/70/49/78/581704978.db2.gz DJNJISLNEOQCMK-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000757637496 581704979 /nfs/dbraw/zinc/70/49/79/581704979.db2.gz DJNJISLNEOQCMK-ZDUSSCGKSA-N 1 2 285.388 0.599 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000770084723 581729210 /nfs/dbraw/zinc/72/92/10/581729210.db2.gz JJLYPAPQISIALM-UHFFFAOYSA-N 1 2 272.264 0.473 20 30 CCEDLO COc1ccc(O)c(/C=[NH+]\CCc2nnnn2C)c1 ZINC000771519888 581806542 /nfs/dbraw/zinc/80/65/42/581806542.db2.gz KDMQWQAJKWAGBA-JYRVWZFOSA-N 1 2 261.285 0.586 20 30 CCEDLO C=CCN(C(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000771545540 581807858 /nfs/dbraw/zinc/80/78/58/581807858.db2.gz WSDJKKNTBJWIMN-UHFFFAOYSA-N 1 2 269.414 0.844 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000760912647 581879425 /nfs/dbraw/zinc/87/94/25/581879425.db2.gz CNQKZYMOBUJNBL-UHFFFAOYSA-N 1 2 298.350 0.105 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000745794366 581885605 /nfs/dbraw/zinc/88/56/05/581885605.db2.gz ZBKPKBGQQGYZKF-AWEZNQCLSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794366 581885608 /nfs/dbraw/zinc/88/56/08/581885608.db2.gz ZBKPKBGQQGYZKF-AWEZNQCLSA-N 1 2 277.368 0.375 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nc3ccnn3c2C)CC1 ZINC000761161463 581893115 /nfs/dbraw/zinc/89/31/15/581893115.db2.gz SLLHUBGIOUKCGO-UHFFFAOYSA-N 1 2 297.362 0.737 20 30 CCEDLO CC(C)C1(O)C[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000773897393 581903530 /nfs/dbraw/zinc/90/35/30/581903530.db2.gz KWECILUEJWBNPB-NSHDSACASA-N 1 2 265.357 0.640 20 30 CCEDLO CC1(C)C[NH+]=C(N2CCN(CC(=O)NCC#N)CC2)S1 ZINC000746461762 581914550 /nfs/dbraw/zinc/91/45/50/581914550.db2.gz AGJJHXWSMIOAEN-UHFFFAOYSA-N 1 2 295.412 0.125 20 30 CCEDLO CON(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000774566346 581981222 /nfs/dbraw/zinc/98/12/22/581981222.db2.gz NMXPEVLOTXGVBR-UHFFFAOYSA-N 1 2 289.339 0.095 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)CCO)CC1 ZINC000750003058 582030355 /nfs/dbraw/zinc/03/03/55/582030355.db2.gz RCMUCSLAMZXNJF-LBPRGKRZSA-N 1 2 270.398 0.268 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000775937080 582047172 /nfs/dbraw/zinc/04/71/72/582047172.db2.gz AXKJCATWHVMHPK-FRRDWIJNSA-N 1 2 250.342 0.504 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000775937080 582047174 /nfs/dbraw/zinc/04/71/74/582047174.db2.gz AXKJCATWHVMHPK-FRRDWIJNSA-N 1 2 250.342 0.504 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccon1 ZINC000852752555 612988748 /nfs/dbraw/zinc/98/87/48/612988748.db2.gz CBOUNTHDBFPUDD-UHFFFAOYSA-N 1 2 251.286 0.585 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccon1 ZINC000852752555 612988750 /nfs/dbraw/zinc/98/87/50/612988750.db2.gz CBOUNTHDBFPUDD-UHFFFAOYSA-N 1 2 251.286 0.585 20 30 CCEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccccn1 ZINC000878998830 612988968 /nfs/dbraw/zinc/98/89/68/612988968.db2.gz XJIZWVJLPHLOPD-UHFFFAOYSA-N 1 2 261.325 0.992 20 30 CCEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccccn1 ZINC000878998830 612988970 /nfs/dbraw/zinc/98/89/70/612988970.db2.gz XJIZWVJLPHLOPD-UHFFFAOYSA-N 1 2 261.325 0.992 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nonc2C)C1 ZINC000957459230 612993282 /nfs/dbraw/zinc/99/32/82/612993282.db2.gz OPZSOYZPPVUYPX-UHFFFAOYSA-N 1 2 262.313 0.548 20 30 CCEDLO C#CCSCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000899180147 613009352 /nfs/dbraw/zinc/00/93/52/613009352.db2.gz WBZUXMNVBUSZPA-UHFFFAOYSA-N 1 2 295.452 0.591 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000883336388 612948321 /nfs/dbraw/zinc/94/83/21/612948321.db2.gz MMBDPZODTYEOCS-VXGBXAGGSA-N 1 2 283.347 0.462 20 30 CCEDLO C#CCSCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844133740 613017698 /nfs/dbraw/zinc/01/76/98/613017698.db2.gz BIFHHXBGFZFEBF-LLVKDONJSA-N 1 2 263.366 0.928 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043163 612950013 /nfs/dbraw/zinc/95/00/13/612950013.db2.gz FTOIIAFSQNPCPA-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880043163 612950014 /nfs/dbraw/zinc/95/00/14/612950014.db2.gz FTOIIAFSQNPCPA-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000879676506 613030837 /nfs/dbraw/zinc/03/08/37/613030837.db2.gz IJRQKVTUEKPUOJ-UHFFFAOYSA-N 1 2 264.350 0.715 20 30 CCEDLO C#CCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000879676506 613030838 /nfs/dbraw/zinc/03/08/38/613030838.db2.gz IJRQKVTUEKPUOJ-UHFFFAOYSA-N 1 2 264.350 0.715 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000931151876 612953094 /nfs/dbraw/zinc/95/30/94/612953094.db2.gz YLAYYCZEYYOQLN-JTQLQIEISA-N 1 2 278.308 0.982 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000857309273 612967080 /nfs/dbraw/zinc/96/70/80/612967080.db2.gz YMYIVJSKIBISJZ-UONOGXRCSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000857309273 612967082 /nfs/dbraw/zinc/96/70/82/612967082.db2.gz YMYIVJSKIBISJZ-UONOGXRCSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000880481483 612974231 /nfs/dbraw/zinc/97/42/31/612974231.db2.gz VDDFBAVDCOCUOJ-HNNXBMFYSA-N 1 2 297.358 0.935 20 30 CCEDLO C#CCOCC[N@H+]1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933209568 612983824 /nfs/dbraw/zinc/98/38/24/612983824.db2.gz YOESZDUTMXIQFL-RRFJBIMHSA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933209568 612983826 /nfs/dbraw/zinc/98/38/26/612983826.db2.gz YOESZDUTMXIQFL-RRFJBIMHSA-N 1 2 283.368 0.531 20 30 CCEDLO C#CCOCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000851911089 612984099 /nfs/dbraw/zinc/98/40/99/612984099.db2.gz URPFIRKCGOTZIU-NEPJUHHUSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCOCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000851911089 612984100 /nfs/dbraw/zinc/98/41/00/612984100.db2.gz URPFIRKCGOTZIU-NEPJUHHUSA-N 1 2 255.314 0.289 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(NC)cn2)CC1 ZINC000859003198 613011076 /nfs/dbraw/zinc/01/10/76/613011076.db2.gz IGALYUGKHQWRND-UHFFFAOYSA-N 1 2 273.340 0.299 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC000815186801 613011243 /nfs/dbraw/zinc/01/12/43/613011243.db2.gz YDNHGDRXSVUFKG-UHFFFAOYSA-N 1 2 275.356 0.388 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000858141841 613021511 /nfs/dbraw/zinc/02/15/11/613021511.db2.gz SALFZRJSCUHYKI-KGLIPLIRSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000922779652 613026330 /nfs/dbraw/zinc/02/63/30/613026330.db2.gz YIYKQIRZBLMSLO-ZDUSSCGKSA-N 1 2 261.325 0.882 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921630372 613026927 /nfs/dbraw/zinc/02/69/27/613026927.db2.gz SKZNPYUJZHGIEL-STQMWFEESA-N 1 2 288.351 0.344 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000863802360 613036998 /nfs/dbraw/zinc/03/69/98/613036998.db2.gz LAYXYKDBLAMOOC-NEPJUHHUSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CCCOC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000867327879 613048958 /nfs/dbraw/zinc/04/89/58/613048958.db2.gz AMDNGHNHEFTLSO-ZDUSSCGKSA-N 1 2 266.341 0.943 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000875915425 613050636 /nfs/dbraw/zinc/05/06/36/613050636.db2.gz XLFJLONUMMZLJI-GFCCVEGCSA-N 1 2 276.340 0.837 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000798438478 613061600 /nfs/dbraw/zinc/06/16/00/613061600.db2.gz GKBDHRABTXKBJG-ZDUSSCGKSA-N 1 2 286.335 0.908 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000798419216 613064507 /nfs/dbraw/zinc/06/45/07/613064507.db2.gz DFHUPSIUTNSKNW-LBPRGKRZSA-N 1 2 276.340 0.499 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000798419216 613064509 /nfs/dbraw/zinc/06/45/09/613064509.db2.gz DFHUPSIUTNSKNW-LBPRGKRZSA-N 1 2 276.340 0.499 20 30 CCEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000928628739 613068381 /nfs/dbraw/zinc/06/83/81/613068381.db2.gz DRQCKNKYJCTZKC-CYBMUJFWSA-N 1 2 251.374 0.493 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)OC ZINC000823519293 613069033 /nfs/dbraw/zinc/06/90/33/613069033.db2.gz LVLHKWBUUBXRIM-BBBLOLIVSA-N 1 2 261.281 0.194 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)OC ZINC000823519293 613069035 /nfs/dbraw/zinc/06/90/35/613069035.db2.gz LVLHKWBUUBXRIM-BBBLOLIVSA-N 1 2 261.281 0.194 20 30 CCEDLO C#CCN(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925600455 613071680 /nfs/dbraw/zinc/07/16/80/613071680.db2.gz FSQDUUDOURPOJX-GFCCVEGCSA-N 1 2 253.346 0.372 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000812021208 613085560 /nfs/dbraw/zinc/08/55/60/613085560.db2.gz UMPMTKCETXLIFB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000812021208 613085561 /nfs/dbraw/zinc/08/55/61/613085561.db2.gz UMPMTKCETXLIFB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000828824636 613100039 /nfs/dbraw/zinc/10/00/39/613100039.db2.gz HJJOJPPSGKYDHR-CYBMUJFWSA-N 1 2 255.321 0.931 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000847284440 613105000 /nfs/dbraw/zinc/10/50/00/613105000.db2.gz IJAWNKXGUZLIES-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000950658694 613110574 /nfs/dbraw/zinc/11/05/74/613110574.db2.gz UUBRRROQPOVBHT-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC000941348032 613114673 /nfs/dbraw/zinc/11/46/73/613114673.db2.gz HITDWYNWZIAWBF-WAYWQWQTSA-N 1 2 273.380 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CCC4)CC2)C1 ZINC000941587831 613115801 /nfs/dbraw/zinc/11/58/01/613115801.db2.gz WBVWYZPSQJAHKC-OAHLLOKOSA-N 1 2 287.407 0.638 20 30 CCEDLO C#C[C@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000820416493 613115977 /nfs/dbraw/zinc/11/59/77/613115977.db2.gz GLQNPHBLJDOABO-NSHDSACASA-N 1 2 273.340 0.638 20 30 CCEDLO C#C[C@H](CC)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907717334 613119274 /nfs/dbraw/zinc/11/92/74/613119274.db2.gz ZMIDUGONQNWDCR-RSKUSDAESA-N 1 2 250.342 0.793 20 30 CCEDLO C#C[C@H](CO)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823313545 613125378 /nfs/dbraw/zinc/12/53/78/613125378.db2.gz ACEUUAAKXTXVBI-RKDXNWHRSA-N 1 2 275.230 0.487 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC000928660335 613136197 /nfs/dbraw/zinc/13/61/97/613136197.db2.gz AGJHKOUTSIMDOY-CQSZACIVSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000928659572 613137110 /nfs/dbraw/zinc/13/71/10/613137110.db2.gz RWGPZTAKLVXRBK-UHFFFAOYSA-N 1 2 283.335 0.785 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000928657618 613138163 /nfs/dbraw/zinc/13/81/63/613138163.db2.gz QECUUXMPKJGNPW-UHFFFAOYSA-N 1 2 272.352 0.726 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCO1 ZINC000875506832 613145058 /nfs/dbraw/zinc/14/50/58/613145058.db2.gz PRCIQOMZJOWEKN-DRZSPHRISA-N 1 2 274.324 0.288 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C2(F)CCOCC2)CC1 ZINC000981295535 613151209 /nfs/dbraw/zinc/15/12/09/613151209.db2.gz OWGVOHZXMGVOQC-UHFFFAOYSA-N 1 2 268.332 0.673 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C2(F)CCOCC2)CC1 ZINC000981295535 613151211 /nfs/dbraw/zinc/15/12/11/613151211.db2.gz OWGVOHZXMGVOQC-UHFFFAOYSA-N 1 2 268.332 0.673 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(=O)CC[C@@H]2C)C1 ZINC000924036650 613167212 /nfs/dbraw/zinc/16/72/12/613167212.db2.gz OEVXPSGHOLNIGJ-QWHCGFSZSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(=O)CC[C@@H]2C)C1 ZINC000924036650 613167213 /nfs/dbraw/zinc/16/72/13/613167213.db2.gz OEVXPSGHOLNIGJ-QWHCGFSZSA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(C)on2)C1 ZINC000885511599 613175960 /nfs/dbraw/zinc/17/59/60/613175960.db2.gz KNCGJAHYRHRFPG-GFCCVEGCSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(C)on2)C1 ZINC000885511599 613175961 /nfs/dbraw/zinc/17/59/61/613175961.db2.gz KNCGJAHYRHRFPG-GFCCVEGCSA-N 1 2 297.380 0.500 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000923573485 613191176 /nfs/dbraw/zinc/19/11/76/613191176.db2.gz NMKKKYXCNSPGMF-LBPRGKRZSA-N 1 2 273.336 0.511 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000923573485 613191177 /nfs/dbraw/zinc/19/11/77/613191177.db2.gz NMKKKYXCNSPGMF-LBPRGKRZSA-N 1 2 273.336 0.511 20 30 CCEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000809665603 613193006 /nfs/dbraw/zinc/19/30/06/613193006.db2.gz XIHVWQRXPDPVBG-UHFFFAOYSA-N 1 2 258.321 0.304 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887674580 613196243 /nfs/dbraw/zinc/19/62/43/613196243.db2.gz FQOKAXYIBJDNPR-GXTWGEPZSA-N 1 2 261.325 0.225 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887674580 613196244 /nfs/dbraw/zinc/19/62/44/613196244.db2.gz FQOKAXYIBJDNPR-GXTWGEPZSA-N 1 2 261.325 0.225 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cnccn1 ZINC000824339503 613200671 /nfs/dbraw/zinc/20/06/71/613200671.db2.gz BLFDEOZIQNESBY-AAEUAGOBSA-N 1 2 258.325 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cnccn1 ZINC000824339503 613200673 /nfs/dbraw/zinc/20/06/73/613200673.db2.gz BLFDEOZIQNESBY-AAEUAGOBSA-N 1 2 258.325 0.751 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2C)CC1 ZINC000871024239 613209503 /nfs/dbraw/zinc/20/95/03/613209503.db2.gz NXVNKMSESWUPRQ-UHFFFAOYSA-N 1 2 299.382 0.193 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COC)n2CC)CC1 ZINC000801929659 613209957 /nfs/dbraw/zinc/20/99/57/613209957.db2.gz SACIQVMDWFKCIO-UHFFFAOYSA-N 1 2 263.345 0.200 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC000949288934 613210312 /nfs/dbraw/zinc/21/03/12/613210312.db2.gz CLWYPCFPYAIDGC-UONOGXRCSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC000949288934 613210315 /nfs/dbraw/zinc/21/03/15/613210315.db2.gz CLWYPCFPYAIDGC-UONOGXRCSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000972332929 613211292 /nfs/dbraw/zinc/21/12/92/613211292.db2.gz ODAWPRVCUPEYKU-AWEZNQCLSA-N 1 2 298.333 0.968 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000972332929 613211294 /nfs/dbraw/zinc/21/12/94/613211294.db2.gz ODAWPRVCUPEYKU-AWEZNQCLSA-N 1 2 298.333 0.968 20 30 CCEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000854726068 613212801 /nfs/dbraw/zinc/21/28/01/613212801.db2.gz HIOXSSAQWHUMKM-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000798290076 613221277 /nfs/dbraw/zinc/22/12/77/613221277.db2.gz WHAULPDCUICQLZ-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C=C(Br)C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934226458 613239028 /nfs/dbraw/zinc/23/90/28/613239028.db2.gz HQLKCHPPQDCQOA-JTQLQIEISA-N 1 2 287.161 0.625 20 30 CCEDLO C/C(=C\C(=O)NCCCC#N)C[NH+]1CCOCC1 ZINC000907320231 613255861 /nfs/dbraw/zinc/25/58/61/613255861.db2.gz DDYXWLONLQKACZ-ZRDIBKRKSA-N 1 2 251.330 0.685 20 30 CCEDLO C=C(C)CC[NH+]1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC000949602860 613261220 /nfs/dbraw/zinc/26/12/20/613261220.db2.gz RJZQIHFOBSOAHL-UHFFFAOYSA-N 1 2 263.345 0.837 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000957637298 613315297 /nfs/dbraw/zinc/31/52/97/613315297.db2.gz JFVRQEFJSQCGNC-UHFFFAOYSA-N 1 2 292.339 0.642 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000832278128 613329517 /nfs/dbraw/zinc/32/95/17/613329517.db2.gz QAVLJDOPLMDCDV-LLVKDONJSA-N 1 2 291.317 0.552 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000832278128 613329519 /nfs/dbraw/zinc/32/95/19/613329519.db2.gz QAVLJDOPLMDCDV-LLVKDONJSA-N 1 2 291.317 0.552 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934641695 613329996 /nfs/dbraw/zinc/32/99/96/613329996.db2.gz IFELVYAZXCXGGG-CQSZACIVSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934641695 613329997 /nfs/dbraw/zinc/32/99/97/613329997.db2.gz IFELVYAZXCXGGG-CQSZACIVSA-N 1 2 280.368 0.253 20 30 CCEDLO C=C(C)CNC(=S)N[C@@H](C)C[NH+]1CCOCC1 ZINC000916004739 613346758 /nfs/dbraw/zinc/34/67/58/613346758.db2.gz VXBDGNXWZHLLPL-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875381560 613352020 /nfs/dbraw/zinc/35/20/20/613352020.db2.gz AQEXYBHEQZSWPY-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875381560 613352021 /nfs/dbraw/zinc/35/20/21/613352021.db2.gz AQEXYBHEQZSWPY-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000883322023 613354656 /nfs/dbraw/zinc/35/46/56/613354656.db2.gz SHRWWWRCTAVMTM-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000883322023 613354657 /nfs/dbraw/zinc/35/46/57/613354657.db2.gz SHRWWWRCTAVMTM-ZDUSSCGKSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000882896593 613355154 /nfs/dbraw/zinc/35/51/54/613355154.db2.gz MDBWZOCUVCOVJP-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925608977 613357606 /nfs/dbraw/zinc/35/76/06/613357606.db2.gz MSNCBJYWRNLQPL-UONOGXRCSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(CC[NH+](C)C)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000907886686 613363775 /nfs/dbraw/zinc/36/37/75/613363775.db2.gz KFYGBHDHNZKCLM-UHFFFAOYSA-N 1 2 293.371 0.724 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981240339 613367586 /nfs/dbraw/zinc/36/75/86/613367586.db2.gz CYSKNIIZGAUXOD-UHFFFAOYSA-N 1 2 287.791 0.785 20 30 CCEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981240339 613367587 /nfs/dbraw/zinc/36/75/87/613367587.db2.gz CYSKNIIZGAUXOD-UHFFFAOYSA-N 1 2 287.791 0.785 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)c2C)C1 ZINC000969434278 613371945 /nfs/dbraw/zinc/37/19/45/613371945.db2.gz ZCMBQDDRNQPRIB-SECBINFHSA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nccnc2N)C1 ZINC000969419321 613372030 /nfs/dbraw/zinc/37/20/30/613372030.db2.gz CSUJRQYTXTWGJW-SECBINFHSA-N 1 2 295.774 0.861 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981322961 613373433 /nfs/dbraw/zinc/37/34/33/613373433.db2.gz XNQPJIQUNVPPCV-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC000981322961 613373434 /nfs/dbraw/zinc/37/34/34/613373434.db2.gz XNQPJIQUNVPPCV-GFCCVEGCSA-N 1 2 299.802 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C(C)(C)C1 ZINC000975051212 613379859 /nfs/dbraw/zinc/37/98/59/613379859.db2.gz WDTPYWMROHJSNS-OUAUKWLOSA-N 1 2 299.802 0.687 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C(C)(C)C1 ZINC000975051212 613379860 /nfs/dbraw/zinc/37/98/60/613379860.db2.gz WDTPYWMROHJSNS-OUAUKWLOSA-N 1 2 299.802 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1 ZINC000958495121 613380391 /nfs/dbraw/zinc/38/03/91/613380391.db2.gz VHPBASLMAPBMKV-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1 ZINC000958495121 613380392 /nfs/dbraw/zinc/38/03/92/613380392.db2.gz VHPBASLMAPBMKV-ZYHUDNBSSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nocc2C)C1 ZINC000958573699 613380857 /nfs/dbraw/zinc/38/08/57/613380857.db2.gz KHSKMZHMUNSEBQ-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nocc2C)C1 ZINC000958573699 613380858 /nfs/dbraw/zinc/38/08/58/613380858.db2.gz KHSKMZHMUNSEBQ-QWRGUYRKSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000981917758 613393332 /nfs/dbraw/zinc/39/33/32/613393332.db2.gz FGFRNYDFXKDHJH-CYBMUJFWSA-N 1 2 291.395 0.766 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000981917758 613393333 /nfs/dbraw/zinc/39/33/33/613393333.db2.gz FGFRNYDFXKDHJH-CYBMUJFWSA-N 1 2 291.395 0.766 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)C1 ZINC000961736284 613402120 /nfs/dbraw/zinc/40/21/20/613402120.db2.gz WCYOVVBWJRDROC-ITGUQSILSA-N 1 2 288.351 0.972 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)C1 ZINC000961736284 613402121 /nfs/dbraw/zinc/40/21/21/613402121.db2.gz WCYOVVBWJRDROC-ITGUQSILSA-N 1 2 288.351 0.972 20 30 CCEDLO C=CC[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)OC ZINC000878410737 613406421 /nfs/dbraw/zinc/40/64/21/613406421.db2.gz AEBAUQMOXZUNIV-VXGBXAGGSA-N 1 2 284.356 0.364 20 30 CCEDLO C=C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925602263 613442137 /nfs/dbraw/zinc/44/21/37/613442137.db2.gz SVYKYJHEQHBDBP-NEPJUHHUSA-N 1 2 255.362 0.971 20 30 CCEDLO C=C[C@@H](C)ON1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000843314015 613442782 /nfs/dbraw/zinc/44/27/82/613442782.db2.gz AWRZCMDJJFDZMV-APPZFPTMSA-N 1 2 250.258 0.379 20 30 CCEDLO C=C[C@@H](C)ON1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000843314015 613442784 /nfs/dbraw/zinc/44/27/84/613442784.db2.gz AWRZCMDJJFDZMV-APPZFPTMSA-N 1 2 250.258 0.379 20 30 CCEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000879248169 613445659 /nfs/dbraw/zinc/44/56/59/613445659.db2.gz OABHPQUJEURDBV-GFCCVEGCSA-N 1 2 251.374 0.705 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889213 613450578 /nfs/dbraw/zinc/45/05/78/613450578.db2.gz JVBNQSVIAOOALI-CHWSQXEVSA-N 1 2 264.300 0.846 20 30 CCEDLO C=CCC(F)(F)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000815849323 613455185 /nfs/dbraw/zinc/45/51/85/613455185.db2.gz PMOMPAPBPONWDP-SNVBAGLBSA-N 1 2 259.300 0.314 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854220749 613486705 /nfs/dbraw/zinc/48/67/05/613486705.db2.gz ZBFUVMJRQSHHIP-SDDRHHMPSA-N 1 2 271.361 0.901 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854220749 613486707 /nfs/dbraw/zinc/48/67/07/613486707.db2.gz ZBFUVMJRQSHHIP-SDDRHHMPSA-N 1 2 271.361 0.901 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2cnccn2)CC1 ZINC000957081516 613561819 /nfs/dbraw/zinc/56/18/19/613561819.db2.gz UAWPEAYMNQWMBW-UHFFFAOYSA-N 1 2 272.352 0.577 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000957467182 613563293 /nfs/dbraw/zinc/56/32/93/613563293.db2.gz CYTDFHJFCNCBNY-CQSZACIVSA-N 1 2 291.395 0.603 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1 ZINC000949784890 613566830 /nfs/dbraw/zinc/56/68/30/613566830.db2.gz CTTDKTYJOLEYSC-UHFFFAOYSA-N 1 2 274.324 0.272 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972486023 613571980 /nfs/dbraw/zinc/57/19/80/613571980.db2.gz DFYPBGVLBRIHLK-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000972486023 613571981 /nfs/dbraw/zinc/57/19/81/613571981.db2.gz DFYPBGVLBRIHLK-OAHLLOKOSA-N 1 2 289.335 0.615 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896569884 613573033 /nfs/dbraw/zinc/57/30/33/613573033.db2.gz VZWDIXQNJOCDCX-OLZOCXBDSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896569884 613573036 /nfs/dbraw/zinc/57/30/36/613573036.db2.gz VZWDIXQNJOCDCX-OLZOCXBDSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921659828 613574957 /nfs/dbraw/zinc/57/49/57/613574957.db2.gz JLOUFUNSSJKGMZ-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913467634 613578223 /nfs/dbraw/zinc/57/82/23/613578223.db2.gz HAIYHSDHNDPTLE-JSGCOSHPSA-N 1 2 292.383 0.874 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913444952 613578250 /nfs/dbraw/zinc/57/82/50/613578250.db2.gz ICYVNTLUEIMTDZ-WCQYABFASA-N 1 2 278.356 0.864 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000927501358 613587439 /nfs/dbraw/zinc/58/74/39/613587439.db2.gz BMHYEKFQVGIYGB-RYUDHWBXSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000927501358 613587441 /nfs/dbraw/zinc/58/74/41/613587441.db2.gz BMHYEKFQVGIYGB-RYUDHWBXSA-N 1 2 280.372 0.119 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881303067 613645100 /nfs/dbraw/zinc/64/51/00/613645100.db2.gz REQCSTDAHYNNSH-UHFFFAOYSA-N 1 2 255.281 0.904 20 30 CCEDLO C=CC[N@@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801932014 613650414 /nfs/dbraw/zinc/65/04/14/613650414.db2.gz FTPOLDYGGQYFNV-NEPJUHHUSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@H+](CCO[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801932014 613650416 /nfs/dbraw/zinc/65/04/16/613650416.db2.gz FTPOLDYGGQYFNV-NEPJUHHUSA-N 1 2 272.370 0.590 20 30 CCEDLO C=CC[N@H+](CCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975698 613650697 /nfs/dbraw/zinc/65/06/97/613650697.db2.gz IKWFVHKSJMKKSK-QWHCGFSZSA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[N@@H+](CCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975698 613650700 /nfs/dbraw/zinc/65/07/00/613650700.db2.gz IKWFVHKSJMKKSK-QWHCGFSZSA-N 1 2 289.397 0.467 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000970734948 613670073 /nfs/dbraw/zinc/67/00/73/613670073.db2.gz JUVRHPCPLNQJRX-QWRGUYRKSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000970734948 613670074 /nfs/dbraw/zinc/67/00/74/613670074.db2.gz JUVRHPCPLNQJRX-QWRGUYRKSA-N 1 2 289.383 0.532 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C(C)C)N2CCCC2=O)CC1 ZINC000957888369 613709886 /nfs/dbraw/zinc/70/98/86/613709886.db2.gz OVSAVYXXCUZKHR-OAHLLOKOSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1 ZINC000949828023 613710782 /nfs/dbraw/zinc/71/07/82/613710782.db2.gz UCBJOHTZSZOWSL-ZDUSSCGKSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 ZINC000951380774 613711401 /nfs/dbraw/zinc/71/14/01/613711401.db2.gz CBCLDQPYNAKJLQ-AWEZNQCLSA-N 1 2 291.395 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000948939262 613713288 /nfs/dbraw/zinc/71/32/88/613713288.db2.gz ITEWVJAYDXGTNL-ZDUSSCGKSA-N 1 2 274.368 0.776 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC000949232077 613717376 /nfs/dbraw/zinc/71/73/76/613717376.db2.gz OQCQMWLZJLSSOE-UHFFFAOYSA-N 1 2 272.312 0.297 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000948918893 613717406 /nfs/dbraw/zinc/71/74/06/613717406.db2.gz IUARAWGJKJEUGL-UHFFFAOYSA-N 1 2 261.325 0.329 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3nc(C)nn32)CC1 ZINC000957309270 613717602 /nfs/dbraw/zinc/71/76/02/613717602.db2.gz MNJIRYOPOQPLSI-UHFFFAOYSA-N 1 2 286.339 0.377 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@](O)(C(F)F)C2)C1=O ZINC000840119847 613720875 /nfs/dbraw/zinc/72/08/75/613720875.db2.gz USIFQYCICHBJDM-GFCCVEGCSA-N 1 2 275.299 0.569 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@](O)(C(F)F)C2)C1=O ZINC000840119847 613720877 /nfs/dbraw/zinc/72/08/77/613720877.db2.gz USIFQYCICHBJDM-GFCCVEGCSA-N 1 2 275.299 0.569 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972294554 613723282 /nfs/dbraw/zinc/72/32/82/613723282.db2.gz MELGORZOUWEONO-HIFRSBDPSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972294554 613723286 /nfs/dbraw/zinc/72/32/86/613723286.db2.gz MELGORZOUWEONO-HIFRSBDPSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972290870 613723435 /nfs/dbraw/zinc/72/34/35/613723435.db2.gz ILOIDHIZTHOTRJ-ZBFHGGJFSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972290870 613723437 /nfs/dbraw/zinc/72/34/37/613723437.db2.gz ILOIDHIZTHOTRJ-ZBFHGGJFSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000972311853 613723922 /nfs/dbraw/zinc/72/39/22/613723922.db2.gz PSTFRDDTJMYZOB-HNNXBMFYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000972311853 613723924 /nfs/dbraw/zinc/72/39/24/613723924.db2.gz PSTFRDDTJMYZOB-HNNXBMFYSA-N 1 2 290.367 0.442 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972372822 613724206 /nfs/dbraw/zinc/72/42/06/613724206.db2.gz DSWDCTAXWYAVCL-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972372822 613724208 /nfs/dbraw/zinc/72/42/08/613724208.db2.gz DSWDCTAXWYAVCL-AWEZNQCLSA-N 1 2 276.340 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncn3C)C2)C1 ZINC000972453853 613727076 /nfs/dbraw/zinc/72/70/76/613727076.db2.gz QSDOEMURXNUZFH-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncn3C)C2)C1 ZINC000972453853 613727081 /nfs/dbraw/zinc/72/70/81/613727081.db2.gz QSDOEMURXNUZFH-OAHLLOKOSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCN1CC[C@H](N(C)c2nccn3c[nH+]cc23)C1=O ZINC000893669326 613777781 /nfs/dbraw/zinc/77/77/81/613777781.db2.gz WJFTUUBPWRWALI-NSHDSACASA-N 1 2 271.324 0.952 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925978939 613847294 /nfs/dbraw/zinc/84/72/94/613847294.db2.gz HTSFEFSPWAVURJ-SNVBAGLBSA-N 1 2 251.334 0.812 20 30 CCEDLO C=CCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849289832 613856395 /nfs/dbraw/zinc/85/63/95/613856395.db2.gz PVNRCINRQYUALR-LLVKDONJSA-N 1 2 255.387 0.453 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CC)C1 ZINC000884171732 613877745 /nfs/dbraw/zinc/87/77/45/613877745.db2.gz CNWITXSNJUAHOJ-QWRGUYRKSA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(F)F ZINC000884105316 613877159 /nfs/dbraw/zinc/87/71/59/613877159.db2.gz KTOGWEVLZCQDCM-ZETCQYMHSA-N 1 2 250.245 0.157 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC000884441694 613877324 /nfs/dbraw/zinc/87/73/24/613877324.db2.gz NLEOKWZADCLWCI-LBPRGKRZSA-N 1 2 277.324 0.678 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(COC)CC1 ZINC000884126931 613877694 /nfs/dbraw/zinc/87/76/94/613877694.db2.gz OSIMIORKZCUNOZ-LBPRGKRZSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000884170204 613877773 /nfs/dbraw/zinc/87/77/73/613877773.db2.gz SCUWEPFKHRCHHC-VWYCJHECSA-N 1 2 254.330 0.690 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)OC[C@H]1CC ZINC000884381564 613878035 /nfs/dbraw/zinc/87/80/35/613878035.db2.gz JSOISRLWGKIDTQ-AGIUHOORSA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC1(F)F ZINC000884425194 613878119 /nfs/dbraw/zinc/87/81/19/613878119.db2.gz AFKDHBKCHASRPO-IUCAKERBSA-N 1 2 276.283 0.595 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C1CC1)C1CC1 ZINC000884156916 613878267 /nfs/dbraw/zinc/87/82/67/613878267.db2.gz PEIKTCDKNMEYID-ZDUSSCGKSA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000884153582 613878681 /nfs/dbraw/zinc/87/86/81/613878681.db2.gz NIRCEALOQHPYAG-UTUOFQBUSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)C1CCOCC1 ZINC000884163867 613878795 /nfs/dbraw/zinc/87/87/95/613878795.db2.gz RIXLWAGCNPSTGL-QWHCGFSZSA-N 1 2 298.383 0.754 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1C ZINC000884127663 613878856 /nfs/dbraw/zinc/87/88/56/613878856.db2.gz JUQPGKAUIBNOQV-DCAQKATOSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCOc1cccnc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546127 613884793 /nfs/dbraw/zinc/88/47/93/613884793.db2.gz IJMNDFMOKVHYDI-LBPRGKRZSA-N 1 2 291.351 0.395 20 30 CCEDLO C=CCOc1cccnc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546127 613884794 /nfs/dbraw/zinc/88/47/94/613884794.db2.gz IJMNDFMOKVHYDI-LBPRGKRZSA-N 1 2 291.351 0.395 20 30 CCEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895945789 613884822 /nfs/dbraw/zinc/88/48/22/613884822.db2.gz LCIADBYVXRJQSS-OLZOCXBDSA-N 1 2 276.336 0.672 20 30 CCEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895945789 613884823 /nfs/dbraw/zinc/88/48/23/613884823.db2.gz LCIADBYVXRJQSS-OLZOCXBDSA-N 1 2 276.336 0.672 20 30 CCEDLO CC(C)(CNC(=O)[C@]1(C#N)CCCOC1)[NH+]1CCOCC1 ZINC000864517372 614107553 /nfs/dbraw/zinc/10/75/53/614107553.db2.gz ZZBZUPKOPOOGRM-HNNXBMFYSA-N 1 2 295.383 0.534 20 30 CCEDLO CC(C)[C@H](C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865633781 614187417 /nfs/dbraw/zinc/18/74/17/614187417.db2.gz NLDLKMXBTXZMSG-PCAWENJQSA-N 1 2 251.330 0.539 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000809396103 614287270 /nfs/dbraw/zinc/28/72/70/614287270.db2.gz VUQNVCUPBLJHNB-UHFFFAOYSA-N 1 2 282.369 0.963 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854731118 614325221 /nfs/dbraw/zinc/32/52/21/614325221.db2.gz XGIUJXUDVRPVCE-CQSZACIVSA-N 1 2 264.369 0.969 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000826571581 614328104 /nfs/dbraw/zinc/32/81/04/614328104.db2.gz IIAHANIYUKDBTR-STQMWFEESA-N 1 2 252.358 0.871 20 30 CCEDLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859141628 614500806 /nfs/dbraw/zinc/50/08/06/614500806.db2.gz KKVYLFCBXRUWJD-LBPRGKRZSA-N 1 2 295.383 0.268 20 30 CCEDLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859141628 614500808 /nfs/dbraw/zinc/50/08/08/614500808.db2.gz KKVYLFCBXRUWJD-LBPRGKRZSA-N 1 2 295.383 0.268 20 30 CCEDLO CC1(C)C[C@]1(C#N)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868464586 614798046 /nfs/dbraw/zinc/79/80/46/614798046.db2.gz VXMXZFFJRNCYQX-RDFMZFSFSA-N 1 2 263.341 0.683 20 30 CCEDLO CCN(CC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930621997 614922964 /nfs/dbraw/zinc/92/29/64/614922964.db2.gz VOVKOUJGZOCMIE-OLZOCXBDSA-N 1 2 281.356 0.238 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971221829 615752359 /nfs/dbraw/zinc/75/23/59/615752359.db2.gz RHTBEUHYHKPFJH-NWDGAFQWSA-N 1 2 290.371 0.490 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971221829 615752361 /nfs/dbraw/zinc/75/23/61/615752361.db2.gz RHTBEUHYHKPFJH-NWDGAFQWSA-N 1 2 290.371 0.490 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)C#CC2CC2)C1 ZINC000955445077 615827287 /nfs/dbraw/zinc/82/72/87/615827287.db2.gz SXAAISKULMPMEH-UHFFFAOYSA-N 1 2 286.335 0.035 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000913521154 615862160 /nfs/dbraw/zinc/86/21/60/615862160.db2.gz MWXRZBHJVWJVLF-UHFFFAOYSA-N 1 2 274.368 0.973 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)N1CCN(CC#N)CC1)c1cccnc1 ZINC000957805483 615971577 /nfs/dbraw/zinc/97/15/77/615971577.db2.gz YSNYKEQIRYRMJD-CQSZACIVSA-N 1 2 287.367 0.352 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](CCO)C(F)(F)F ZINC000905493823 616067709 /nfs/dbraw/zinc/06/77/09/616067709.db2.gz ZDCPZKVHVLHESZ-VHSXEESVSA-N 1 2 283.294 0.096 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](CCO)C(F)(F)F ZINC000905493823 616067710 /nfs/dbraw/zinc/06/77/10/616067710.db2.gz ZDCPZKVHVLHESZ-VHSXEESVSA-N 1 2 283.294 0.096 20 30 CCEDLO Cn1[nH]c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)nc1=O ZINC000844368129 616101870 /nfs/dbraw/zinc/10/18/70/616101870.db2.gz WSAOGKFOBXHJLT-GFCCVEGCSA-N 1 2 287.323 0.145 20 30 CCEDLO Cn1[nH]c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nc1=O ZINC000844368129 616101871 /nfs/dbraw/zinc/10/18/71/616101871.db2.gz WSAOGKFOBXHJLT-GFCCVEGCSA-N 1 2 287.323 0.145 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@H]1CO ZINC000913555353 616229241 /nfs/dbraw/zinc/22/92/41/616229241.db2.gz ATVPBZLNZOZMJV-NSHDSACASA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@H]1CO ZINC000913555353 616229242 /nfs/dbraw/zinc/22/92/42/616229242.db2.gz ATVPBZLNZOZMJV-NSHDSACASA-N 1 2 298.346 0.788 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1CO ZINC000913544741 616229932 /nfs/dbraw/zinc/22/99/32/616229932.db2.gz LCTXLWOQZAJZSD-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1CO ZINC000913544741 616229933 /nfs/dbraw/zinc/22/99/33/616229933.db2.gz LCTXLWOQZAJZSD-LBPRGKRZSA-N 1 2 293.754 0.960 20 30 CCEDLO C[N@@H+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000894882407 616246748 /nfs/dbraw/zinc/24/67/48/616246748.db2.gz WHOZWISZPDYKIF-NSHDSACASA-N 1 2 276.296 0.579 20 30 CCEDLO C[N@H+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000894882407 616246749 /nfs/dbraw/zinc/24/67/49/616246749.db2.gz WHOZWISZPDYKIF-NSHDSACASA-N 1 2 276.296 0.579 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000885984154 616343204 /nfs/dbraw/zinc/34/32/04/616343204.db2.gz YSRRCDJVOVOZHV-SNVBAGLBSA-N 1 2 254.330 0.972 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000921413151 616432862 /nfs/dbraw/zinc/43/28/62/616432862.db2.gz FNAKOWSJHGEDME-NSHDSACASA-N 1 2 283.328 0.680 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000921413151 616432865 /nfs/dbraw/zinc/43/28/65/616432865.db2.gz FNAKOWSJHGEDME-NSHDSACASA-N 1 2 283.328 0.680 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1C ZINC000905711671 616667594 /nfs/dbraw/zinc/66/75/94/616667594.db2.gz MLIVLGWVJGPSSL-DGCLKSJQSA-N 1 2 289.335 0.808 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1C ZINC000905711671 616667595 /nfs/dbraw/zinc/66/75/95/616667595.db2.gz MLIVLGWVJGPSSL-DGCLKSJQSA-N 1 2 289.335 0.808 20 30 CCEDLO COC(=O)c1cc(C=NNCCCn2cc[nH+]c2)on1 ZINC000848417407 616843580 /nfs/dbraw/zinc/84/35/80/616843580.db2.gz YKHCLVQEIBRYTD-UHFFFAOYSA-N 1 2 277.284 0.672 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@@H]2C1 ZINC001026400562 625431140 /nfs/dbraw/zinc/43/11/40/625431140.db2.gz LPPABEFVOBYFSP-IACUBPJLSA-N 1 2 287.367 0.313 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972324983 622762516 /nfs/dbraw/zinc/76/25/16/622762516.db2.gz UHNDMOJWGZPNTN-INIZCTEOSA-N 1 2 298.346 0.436 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972324983 622762521 /nfs/dbraw/zinc/76/25/21/622762521.db2.gz UHNDMOJWGZPNTN-INIZCTEOSA-N 1 2 298.346 0.436 20 30 CCEDLO C[C@@H](CC(=O)N1CC[C@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC000972449664 622846086 /nfs/dbraw/zinc/84/60/86/622846086.db2.gz MICULVMUCQECQQ-STQMWFEESA-N 1 2 275.356 0.890 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972519665 622928385 /nfs/dbraw/zinc/92/83/85/622928385.db2.gz XLECUAAMIZYZAU-GJZGRUSLSA-N 1 2 296.342 0.052 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000972519665 622928395 /nfs/dbraw/zinc/92/83/95/622928395.db2.gz XLECUAAMIZYZAU-GJZGRUSLSA-N 1 2 296.342 0.052 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969319432 624485320 /nfs/dbraw/zinc/48/53/20/624485320.db2.gz XRDIWSKFXGSYGK-LLVKDONJSA-N 1 2 269.308 0.662 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000970012544 624572432 /nfs/dbraw/zinc/57/24/32/624572432.db2.gz CTQMQLNFZXSGKW-IJLUTSLNSA-N 1 2 273.340 0.238 20 30 CCEDLO Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+](CCO)CC1 ZINC000892035529 625039642 /nfs/dbraw/zinc/03/96/42/625039642.db2.gz BOFGFJYOOLKZTQ-UHFFFAOYSA-N 1 2 287.363 0.925 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006701069 625827407 /nfs/dbraw/zinc/82/74/07/625827407.db2.gz CTTKMQZUCNCMAM-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001006701069 625827409 /nfs/dbraw/zinc/82/74/09/625827409.db2.gz CTTKMQZUCNCMAM-GFCCVEGCSA-N 1 2 299.802 0.942 20 30 CCEDLO Cn1cncc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981124660 631236972 /nfs/dbraw/zinc/23/69/72/631236972.db2.gz SULKLLVVGUYJOV-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO Cn1cncc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981124660 631236974 /nfs/dbraw/zinc/23/69/74/631236974.db2.gz SULKLLVVGUYJOV-UHFFFAOYSA-N 1 2 286.379 0.868 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](NCC#N)C1 ZINC000981488202 631283036 /nfs/dbraw/zinc/28/30/36/631283036.db2.gz VABNMAIJWKKGJR-NWDGAFQWSA-N 1 2 275.356 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000967975022 650005906 /nfs/dbraw/zinc/00/59/06/650005906.db2.gz JSBBEOVGGMVZTK-VHSXEESVSA-N 1 2 295.774 0.924 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968976720 650034782 /nfs/dbraw/zinc/03/47/82/650034782.db2.gz LMKJXJJJFTWCAM-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968976720 650034783 /nfs/dbraw/zinc/03/47/83/650034783.db2.gz LMKJXJJJFTWCAM-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@](C)(C#N)C1 ZINC000894913843 631881046 /nfs/dbraw/zinc/88/10/46/631881046.db2.gz BQAUEKZXLBXFOH-GFCCVEGCSA-N 1 2 263.301 0.244 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325554 632058231 /nfs/dbraw/zinc/05/82/31/632058231.db2.gz SCPRNGIWZZXEIX-WCQYABFASA-N 1 2 281.743 0.924 20 30 CCEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000895325554 632058246 /nfs/dbraw/zinc/05/82/46/632058246.db2.gz SCPRNGIWZZXEIX-WCQYABFASA-N 1 2 281.743 0.924 20 30 CCEDLO CN(CC#N)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985408117 632463878 /nfs/dbraw/zinc/46/38/78/632463878.db2.gz WZCJZEXCTCOUQD-UHFFFAOYSA-N 1 2 275.356 0.789 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007735004 650089473 /nfs/dbraw/zinc/08/94/73/650089473.db2.gz AKAXAUIBICUOPP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001007735004 650089474 /nfs/dbraw/zinc/08/94/74/650089474.db2.gz AKAXAUIBICUOPP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001007953402 650097972 /nfs/dbraw/zinc/09/79/72/650097972.db2.gz NSKZMMULXNWJBH-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001007953402 650097973 /nfs/dbraw/zinc/09/79/73/650097973.db2.gz NSKZMMULXNWJBH-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008249866 650107337 /nfs/dbraw/zinc/10/73/37/650107337.db2.gz RPMZEGMKPIMMOJ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008249866 650107338 /nfs/dbraw/zinc/10/73/38/650107338.db2.gz RPMZEGMKPIMMOJ-RYUDHWBXSA-N 1 2 299.802 0.798 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000989474383 633316401 /nfs/dbraw/zinc/31/64/01/633316401.db2.gz IARLGDFRPQESJQ-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000989474383 633316405 /nfs/dbraw/zinc/31/64/05/633316405.db2.gz IARLGDFRPQESJQ-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000989474383 633316413 /nfs/dbraw/zinc/31/64/13/633316413.db2.gz IARLGDFRPQESJQ-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C=CC[N@H+]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000989474383 633316416 /nfs/dbraw/zinc/31/64/16/633316416.db2.gz IARLGDFRPQESJQ-LBPRGKRZSA-N 1 2 289.383 0.630 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658554 633340493 /nfs/dbraw/zinc/34/04/93/633340493.db2.gz ZLXLTAORMCATPN-VHSXEESVSA-N 1 2 283.763 0.679 20 30 CCEDLO CC#CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907164078 635081483 /nfs/dbraw/zinc/08/14/83/635081483.db2.gz GZVBUJPRURLYKW-UHFFFAOYSA-N 1 2 275.352 0.573 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403869 650218594 /nfs/dbraw/zinc/21/85/94/650218594.db2.gz CDYQZGXKWLALIA-LLVKDONJSA-N 1 2 268.748 0.895 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403869 650218599 /nfs/dbraw/zinc/21/85/99/650218599.db2.gz CDYQZGXKWLALIA-LLVKDONJSA-N 1 2 268.748 0.895 20 30 CCEDLO N#CC[C@]1(O)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000911526105 636288028 /nfs/dbraw/zinc/28/80/28/636288028.db2.gz DTBLJHSDKZIJSC-ZDUSSCGKSA-N 1 2 260.297 0.371 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661620 650251744 /nfs/dbraw/zinc/25/17/44/650251744.db2.gz AFFDZKLQCAOZMS-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661620 650251749 /nfs/dbraw/zinc/25/17/49/650251749.db2.gz AFFDZKLQCAOZMS-LBPRGKRZSA-N 1 2 298.350 0.624 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)c[nH]1 ZINC001010690234 650253532 /nfs/dbraw/zinc/25/35/32/650253532.db2.gz OCDFJZQEQQBTIA-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)c[nH]1 ZINC001010690234 650253537 /nfs/dbraw/zinc/25/35/37/650253537.db2.gz OCDFJZQEQQBTIA-SNVBAGLBSA-N 1 2 250.277 0.660 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707972 650255858 /nfs/dbraw/zinc/25/58/58/650255858.db2.gz MVTNWWOALNMQQW-VIFPVBQESA-N 1 2 283.763 0.559 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010707972 650255860 /nfs/dbraw/zinc/25/58/60/650255860.db2.gz MVTNWWOALNMQQW-VIFPVBQESA-N 1 2 283.763 0.559 20 30 CCEDLO O=C(C#Cc1cccs1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454705 636810668 /nfs/dbraw/zinc/81/06/68/636810668.db2.gz YHYGZEHLILVCEE-CYBMUJFWSA-N 1 2 286.360 0.996 20 30 CCEDLO O=C(C#Cc1ccccc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447345 636817077 /nfs/dbraw/zinc/81/70/77/636817077.db2.gz OBKKVBOZOJMXSV-OAHLLOKOSA-N 1 2 280.331 0.934 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000913550070 636844264 /nfs/dbraw/zinc/84/42/64/636844264.db2.gz MDDXPXHHTPREQD-AWEZNQCLSA-N 1 2 288.347 0.447 20 30 CCEDLO C#CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000913550070 636844267 /nfs/dbraw/zinc/84/42/67/636844267.db2.gz MDDXPXHHTPREQD-AWEZNQCLSA-N 1 2 288.347 0.447 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992164670 637327205 /nfs/dbraw/zinc/32/72/05/637327205.db2.gz YJMZAYYQXKQZTI-JOYOIKCWSA-N 1 2 271.748 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992164670 637327212 /nfs/dbraw/zinc/32/72/12/637327212.db2.gz YJMZAYYQXKQZTI-JOYOIKCWSA-N 1 2 271.748 0.337 20 30 CCEDLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H](C)N1CC#N ZINC000913900436 637463126 /nfs/dbraw/zinc/46/31/26/637463126.db2.gz VLQBKEAPGLIFMH-CHWSQXEVSA-N 1 2 290.371 0.511 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC000993370709 637796799 /nfs/dbraw/zinc/79/67/99/637796799.db2.gz WOFBHTKJNZXJNR-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC000993370709 637796804 /nfs/dbraw/zinc/79/68/04/637796804.db2.gz WOFBHTKJNZXJNR-PWSUYJOCSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993771832 637845721 /nfs/dbraw/zinc/84/57/21/637845721.db2.gz HICIXQYDDXYLGM-QWRGUYRKSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000993771832 637845726 /nfs/dbraw/zinc/84/57/26/637845726.db2.gz HICIXQYDDXYLGM-QWRGUYRKSA-N 1 2 278.356 0.894 20 30 CCEDLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c(C#N)c1 ZINC000921411607 638178138 /nfs/dbraw/zinc/17/81/38/638178138.db2.gz VEXVBDXRZXJANS-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c(C#N)c1 ZINC000921411607 638178143 /nfs/dbraw/zinc/17/81/43/638178143.db2.gz VEXVBDXRZXJANS-GFCCVEGCSA-N 1 2 279.365 0.849 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939407148 638360477 /nfs/dbraw/zinc/36/04/77/638360477.db2.gz ZIKUPLHUWFUBGX-ZYHUDNBSSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000942148843 638619019 /nfs/dbraw/zinc/61/90/19/638619019.db2.gz VGSKETDLFLRDEW-LLVKDONJSA-N 1 2 289.339 0.173 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000995533704 638774022 /nfs/dbraw/zinc/77/40/22/638774022.db2.gz FFKFMKWQEOMYJP-JTQLQIEISA-N 1 2 297.318 0.435 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000998745334 638938166 /nfs/dbraw/zinc/93/81/66/638938166.db2.gz HBJFAYGOKYPZPD-GXSJLCMTSA-N 1 2 277.328 0.618 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC(NCC#N)C1 ZINC000999009526 638954378 /nfs/dbraw/zinc/95/43/78/638954378.db2.gz GRHSVJIEKSRSAG-PNESKVBLSA-N 1 2 287.367 0.548 20 30 CCEDLO N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537364 638984683 /nfs/dbraw/zinc/98/46/83/638984683.db2.gz RQMXBQBRLZVLIC-QWHCGFSZSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014918442 650502446 /nfs/dbraw/zinc/50/24/46/650502446.db2.gz APCUZJMNUVPKJB-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001014918442 650502447 /nfs/dbraw/zinc/50/24/47/650502447.db2.gz APCUZJMNUVPKJB-SMDDNHRTSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001003233169 639520142 /nfs/dbraw/zinc/52/01/42/639520142.db2.gz RFYUYQDLNROYBH-UHFFFAOYSA-N 1 2 269.736 0.751 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016415611 639587393 /nfs/dbraw/zinc/58/73/93/639587393.db2.gz WSEKFNBWWAOKCJ-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016415611 639587398 /nfs/dbraw/zinc/58/73/98/639587398.db2.gz WSEKFNBWWAOKCJ-JTQLQIEISA-N 1 2 279.365 0.727 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001014974937 650510534 /nfs/dbraw/zinc/51/05/34/650510534.db2.gz KGKVPRXOCHLOIZ-GFCCVEGCSA-N 1 2 295.770 0.942 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001014974937 650510535 /nfs/dbraw/zinc/51/05/35/650510535.db2.gz KGKVPRXOCHLOIZ-GFCCVEGCSA-N 1 2 295.770 0.942 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001015060813 650521871 /nfs/dbraw/zinc/52/18/71/650521871.db2.gz LXJIIPNVWNKSOE-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001015060813 650521875 /nfs/dbraw/zinc/52/18/75/650521875.db2.gz LXJIIPNVWNKSOE-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)c1 ZINC001015060813 650521876 /nfs/dbraw/zinc/52/18/76/650521876.db2.gz LXJIIPNVWNKSOE-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)c1 ZINC001015060813 650521881 /nfs/dbraw/zinc/52/18/81/650521881.db2.gz LXJIIPNVWNKSOE-ZDUSSCGKSA-N 1 2 296.334 0.681 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015195398 650537356 /nfs/dbraw/zinc/53/73/56/650537356.db2.gz QMFXXCOYOLQRLC-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001015195398 650537359 /nfs/dbraw/zinc/53/73/59/650537359.db2.gz QMFXXCOYOLQRLC-NWDGAFQWSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)CCO)C1 ZINC000121354576 640290246 /nfs/dbraw/zinc/29/02/46/640290246.db2.gz IQQOLILEHNLWOI-AOOOYVTPSA-N 1 2 257.334 0.162 20 30 CCEDLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)CCO)C1 ZINC000121354734 640290601 /nfs/dbraw/zinc/29/06/01/640290601.db2.gz IQQOLILEHNLWOI-UWVGGRQHSA-N 1 2 257.334 0.162 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000121360343 640301959 /nfs/dbraw/zinc/30/19/59/640301959.db2.gz MDNORJQXFQRMOT-NWDGAFQWSA-N 1 2 283.372 0.839 20 30 CCEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000801909782 640672670 /nfs/dbraw/zinc/67/26/70/640672670.db2.gz HASPMGADSZXELX-NSHDSACASA-N 1 2 251.330 0.469 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001015783833 650629501 /nfs/dbraw/zinc/62/95/01/650629501.db2.gz VZQVDQRWZBWIDJ-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001015783833 650629502 /nfs/dbraw/zinc/62/95/02/650629502.db2.gz VZQVDQRWZBWIDJ-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C[C@@H](O)CN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000814963815 641085750 /nfs/dbraw/zinc/08/57/50/641085750.db2.gz QOPMIZULMVCIED-MRVPVSSYSA-N 1 2 298.778 0.617 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016352183 650720542 /nfs/dbraw/zinc/72/05/42/650720542.db2.gz YKHZTURBJAXMDZ-QWHCGFSZSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001016352183 650720545 /nfs/dbraw/zinc/72/05/45/650720545.db2.gz YKHZTURBJAXMDZ-QWHCGFSZSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CCSCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000121417660 642666308 /nfs/dbraw/zinc/66/63/08/642666308.db2.gz ASVRNWTYRGZYHR-UHFFFAOYSA-N 1 2 285.413 0.326 20 30 CCEDLO N#CCN1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016993767 650776145 /nfs/dbraw/zinc/77/61/45/650776145.db2.gz FTFICRUWTSHWDZ-GFCCVEGCSA-N 1 2 273.340 0.377 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000837440109 642744551 /nfs/dbraw/zinc/74/45/51/642744551.db2.gz JEQAIWXEKYVXNG-AWEZNQCLSA-N 1 2 262.353 0.723 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnn1C ZINC001017511310 650807235 /nfs/dbraw/zinc/80/72/35/650807235.db2.gz CXECSAWOMFELAX-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnn1C ZINC001017511310 650807236 /nfs/dbraw/zinc/80/72/36/650807236.db2.gz CXECSAWOMFELAX-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(C)n1 ZINC001017550929 650810869 /nfs/dbraw/zinc/81/08/69/650810869.db2.gz FWVPZHDNTXRRSI-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(C)n1 ZINC001017550929 650810873 /nfs/dbraw/zinc/81/08/73/650810873.db2.gz FWVPZHDNTXRRSI-OKILXGFUSA-N 1 2 272.352 0.271 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c(=O)c1 ZINC001017670992 650817363 /nfs/dbraw/zinc/81/73/63/650817363.db2.gz NMJANLDJQVIHJS-OKILXGFUSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c(=O)c1 ZINC001017670992 650817364 /nfs/dbraw/zinc/81/73/64/650817364.db2.gz NMJANLDJQVIHJS-OKILXGFUSA-N 1 2 285.347 0.307 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001017837504 650826061 /nfs/dbraw/zinc/82/60/61/650826061.db2.gz SJCMAFHNGJAKHF-BETUJISGSA-N 1 2 259.309 0.526 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001017837504 650826065 /nfs/dbraw/zinc/82/60/65/650826065.db2.gz SJCMAFHNGJAKHF-BETUJISGSA-N 1 2 259.309 0.526 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC(=O)NC1 ZINC001017837292 650826223 /nfs/dbraw/zinc/82/62/23/650826223.db2.gz QHUVZNHDRZVINC-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC(=O)NC1 ZINC001017837292 650826225 /nfs/dbraw/zinc/82/62/25/650826225.db2.gz QHUVZNHDRZVINC-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001018079775 650842502 /nfs/dbraw/zinc/84/25/02/650842502.db2.gz RPNQASRDBMKCBE-OKILXGFUSA-N 1 2 284.363 0.718 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001018079775 650842504 /nfs/dbraw/zinc/84/25/04/650842504.db2.gz RPNQASRDBMKCBE-OKILXGFUSA-N 1 2 284.363 0.718 20 30 CCEDLO C[C@H](C#N)C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866157 643892589 /nfs/dbraw/zinc/89/25/89/643892589.db2.gz LDRGAVALPANJGU-WBMJQRKESA-N 1 2 287.363 0.984 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866157 643892593 /nfs/dbraw/zinc/89/25/93/643892593.db2.gz LDRGAVALPANJGU-WBMJQRKESA-N 1 2 287.363 0.984 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018633142 650887403 /nfs/dbraw/zinc/88/74/03/650887403.db2.gz UPUVHKWWQNTVRG-UWVGGRQHSA-N 1 2 277.328 0.482 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016203 644753921 /nfs/dbraw/zinc/75/39/21/644753921.db2.gz GOILTDYLCXATNF-UONOGXRCSA-N 1 2 289.335 0.168 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860016203 644753926 /nfs/dbraw/zinc/75/39/26/644753926.db2.gz GOILTDYLCXATNF-UONOGXRCSA-N 1 2 289.335 0.168 20 30 CCEDLO N#C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCOC1 ZINC000865030314 645313272 /nfs/dbraw/zinc/31/32/72/645313272.db2.gz TZTNFLUBXQGVGV-CQSZACIVSA-N 1 2 263.341 0.613 20 30 CCEDLO N#C[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CCSC1 ZINC000865078446 645320393 /nfs/dbraw/zinc/32/03/93/645320393.db2.gz WQHWVTWASHOWBB-AORQRIRUSA-N 1 2 281.381 0.390 20 30 CCEDLO C#CC[N@@H+](C[C@@](C)(CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000876624842 646634262 /nfs/dbraw/zinc/63/42/62/646634262.db2.gz LZHKEEBYXNSFLK-QWHCGFSZSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](C[C@@](C)(CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000876624842 646634265 /nfs/dbraw/zinc/63/42/65/646634265.db2.gz LZHKEEBYXNSFLK-QWHCGFSZSA-N 1 2 273.398 0.924 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000877633075 646830600 /nfs/dbraw/zinc/83/06/00/646830600.db2.gz YJFLOVVKRZHNHQ-UHFFFAOYSA-N 1 2 281.743 0.783 20 30 CCEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000877633075 646830602 /nfs/dbraw/zinc/83/06/02/646830602.db2.gz YJFLOVVKRZHNHQ-UHFFFAOYSA-N 1 2 281.743 0.783 20 30 CCEDLO Cc1cc(NC(=O)N[C@H]2CCCN(O)C2=O)c(C)c[nH+]1 ZINC000879074196 647023683 /nfs/dbraw/zinc/02/36/83/647023683.db2.gz KWLYRAPNVZLFCJ-JTQLQIEISA-N 1 2 278.312 0.622 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c(C#N)n1 ZINC000882009155 647363603 /nfs/dbraw/zinc/36/36/03/647363603.db2.gz QLABOUOLSMUEAJ-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO N#Cc1sc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc1Cl ZINC000882684781 647434260 /nfs/dbraw/zinc/43/42/60/647434260.db2.gz UKPKXLAQUGHEEC-UHFFFAOYSA-N 1 2 297.771 0.336 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680824 647997085 /nfs/dbraw/zinc/99/70/85/647997085.db2.gz MYCKPHPKRPOIHP-NSHDSACASA-N 1 2 259.313 0.296 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680824 647997091 /nfs/dbraw/zinc/99/70/91/647997091.db2.gz MYCKPHPKRPOIHP-NSHDSACASA-N 1 2 259.313 0.296 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465142 648112551 /nfs/dbraw/zinc/11/25/51/648112551.db2.gz RYFHVSSOXUAHKB-LLVKDONJSA-N 1 2 258.272 0.407 20 30 CCEDLO C[C@@H](c1cnnn1C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000926820097 648529842 /nfs/dbraw/zinc/52/98/42/648529842.db2.gz ALVIAIMFJUXBIA-LBPRGKRZSA-N 1 2 297.366 0.965 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@H+](CCOCCO)CCO2)cc1 ZINC000933626656 649131356 /nfs/dbraw/zinc/13/13/56/649131356.db2.gz FDHZTZKYLNZZFR-OAHLLOKOSA-N 1 2 276.336 0.940 20 30 CCEDLO N#Cc1ccc([C@H]2C[N@@H+](CCOCCO)CCO2)cc1 ZINC000933626656 649131360 /nfs/dbraw/zinc/13/13/60/649131360.db2.gz FDHZTZKYLNZZFR-OAHLLOKOSA-N 1 2 276.336 0.940 20 30 CCEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000048725571 649324981 /nfs/dbraw/zinc/32/49/81/649324981.db2.gz NYANYQBNRJZWOC-UHFFFAOYSA-N 1 2 271.320 0.380 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC)C1=O ZINC001017272726 649682694 /nfs/dbraw/zinc/68/26/94/649682694.db2.gz JFPDOHZZBAYBFJ-MJBXVCDLSA-N 1 2 291.395 0.859 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC)C1=O ZINC001017272726 649682697 /nfs/dbraw/zinc/68/26/97/649682697.db2.gz JFPDOHZZBAYBFJ-MJBXVCDLSA-N 1 2 291.395 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007261025 649726623 /nfs/dbraw/zinc/72/66/23/649726623.db2.gz PEOWJSGMVUGSDS-VHSXEESVSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007261025 649726626 /nfs/dbraw/zinc/72/66/26/649726626.db2.gz PEOWJSGMVUGSDS-VHSXEESVSA-N 1 2 287.747 0.428 20 30 CCEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCO)CC1=O ZINC000305260895 649844993 /nfs/dbraw/zinc/84/49/93/649844993.db2.gz RVOJWYRURLGTED-UHFFFAOYSA-N 1 2 286.335 0.638 20 30 CCEDLO CC#CC[NH+]1CCC(NC(=O)CS(=O)(=O)CC)CC1 ZINC001230359907 805597638 /nfs/dbraw/zinc/59/76/38/805597638.db2.gz KXNHSSTUNQWVTL-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(CC)CCC#N ZINC001230547398 805618132 /nfs/dbraw/zinc/61/81/32/805618132.db2.gz ICBUPBNRJOCSCI-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(CC)CCC#N ZINC001230547398 805618139 /nfs/dbraw/zinc/61/81/39/805618139.db2.gz ICBUPBNRJOCSCI-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1CC ZINC001039019548 790385345 /nfs/dbraw/zinc/38/53/45/790385345.db2.gz UUPAYNCVWARXJQ-GFCCVEGCSA-N 1 2 272.352 0.866 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1CC ZINC001039019548 790385355 /nfs/dbraw/zinc/38/53/55/790385355.db2.gz UUPAYNCVWARXJQ-GFCCVEGCSA-N 1 2 272.352 0.866 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001266320544 790500915 /nfs/dbraw/zinc/50/09/15/790500915.db2.gz LNBYLCYYRMSIAC-CQSZACIVSA-N 1 2 269.389 0.773 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001266320544 790500925 /nfs/dbraw/zinc/50/09/25/790500925.db2.gz LNBYLCYYRMSIAC-CQSZACIVSA-N 1 2 269.389 0.773 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266450534 790735714 /nfs/dbraw/zinc/73/57/14/790735714.db2.gz PGRALJXBMPKPCR-NSHDSACASA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266450534 790735720 /nfs/dbraw/zinc/73/57/20/790735720.db2.gz PGRALJXBMPKPCR-NSHDSACASA-N 1 2 293.371 0.155 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2csnn2)c1 ZINC001125390818 790873848 /nfs/dbraw/zinc/87/38/48/790873848.db2.gz DSMWMHMNSODLSL-UHFFFAOYSA-N 1 2 276.325 0.257 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001231169902 805743636 /nfs/dbraw/zinc/74/36/36/805743636.db2.gz LAXUWOOGFZFGPI-NWDGAFQWSA-N 1 2 293.367 0.291 20 30 CCEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001231169902 805743638 /nfs/dbraw/zinc/74/36/38/805743638.db2.gz LAXUWOOGFZFGPI-NWDGAFQWSA-N 1 2 293.367 0.291 20 30 CCEDLO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247628 805759078 /nfs/dbraw/zinc/75/90/78/805759078.db2.gz PSXYJPYJBOJQSJ-STQMWFEESA-N 1 2 294.399 0.546 20 30 CCEDLO CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231247628 805759082 /nfs/dbraw/zinc/75/90/82/805759082.db2.gz PSXYJPYJBOJQSJ-STQMWFEESA-N 1 2 294.399 0.546 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001231292776 805770135 /nfs/dbraw/zinc/77/01/35/805770135.db2.gz FXBQOBIPHIIBOA-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001231292776 805770141 /nfs/dbraw/zinc/77/01/41/805770141.db2.gz FXBQOBIPHIIBOA-YPMHNXCESA-N 1 2 292.383 0.205 20 30 CCEDLO COCC[NH+]1CC(N(C)C(=O)CSCC#N)C1 ZINC001277554556 805843261 /nfs/dbraw/zinc/84/32/61/805843261.db2.gz BDIKMNRRUJCGAD-UHFFFAOYSA-N 1 2 257.359 0.032 20 30 CCEDLO C=CCOCC(=O)N(C)C1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001277570541 805858370 /nfs/dbraw/zinc/85/83/70/805858370.db2.gz LLJRRMBYBWRLLJ-GXTWGEPZSA-N 1 2 282.384 0.899 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c(OC)cncc2OC)CC1 ZINC001232505862 805950685 /nfs/dbraw/zinc/95/06/85/805950685.db2.gz OSVYZKXEWBBYCD-UHFFFAOYSA-N 1 2 275.352 0.850 20 30 CCEDLO N#Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001232678908 805969806 /nfs/dbraw/zinc/96/98/06/805969806.db2.gz UNYNBNDJRZLWPI-ZDUSSCGKSA-N 1 2 287.319 0.307 20 30 CCEDLO N#Cc1ccc(O)c(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001232678908 805969808 /nfs/dbraw/zinc/96/98/08/805969808.db2.gz UNYNBNDJRZLWPI-ZDUSSCGKSA-N 1 2 287.319 0.307 20 30 CCEDLO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2[nH]ccc2C#N)C3)n1 ZINC001233043637 806012489 /nfs/dbraw/zinc/01/24/89/806012489.db2.gz DLJISBYMLSAAPQ-IUODEOHRSA-N 1 2 299.334 0.978 20 30 CCEDLO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2[nH]ccc2C#N)C3)n1 ZINC001233043637 806012498 /nfs/dbraw/zinc/01/24/98/806012498.db2.gz DLJISBYMLSAAPQ-IUODEOHRSA-N 1 2 299.334 0.978 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccnn3)[C@H]2C1 ZINC001083231212 791431895 /nfs/dbraw/zinc/43/18/95/791431895.db2.gz OWDPFPMAIMNYNS-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccnn3)[C@H]2C1 ZINC001083231212 791431906 /nfs/dbraw/zinc/43/19/06/791431906.db2.gz OWDPFPMAIMNYNS-UONOGXRCSA-N 1 2 286.335 0.025 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)cn3)[C@H]2C1 ZINC001083252153 791658437 /nfs/dbraw/zinc/65/84/37/791658437.db2.gz ZSNLZUKUDOBVHL-JKSUJKDBSA-N 1 2 295.342 0.221 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)cn3)[C@H]2C1 ZINC001083252153 791658441 /nfs/dbraw/zinc/65/84/41/791658441.db2.gz ZSNLZUKUDOBVHL-JKSUJKDBSA-N 1 2 295.342 0.221 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001267198207 791659948 /nfs/dbraw/zinc/65/99/48/791659948.db2.gz HVSSNGDWNABKAM-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001267198207 791659952 /nfs/dbraw/zinc/65/99/52/791659952.db2.gz HVSSNGDWNABKAM-UONOGXRCSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001267204701 791669658 /nfs/dbraw/zinc/66/96/58/791669658.db2.gz JOIYQJZUYBHTKC-RDBSUJKOSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001267204701 791669665 /nfs/dbraw/zinc/66/96/65/791669665.db2.gz JOIYQJZUYBHTKC-RDBSUJKOSA-N 1 2 291.395 0.220 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001267215004 791684855 /nfs/dbraw/zinc/68/48/55/791684855.db2.gz FJOYJWSBXDEPAG-HNNXBMFYSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001267215004 791684861 /nfs/dbraw/zinc/68/48/61/791684861.db2.gz FJOYJWSBXDEPAG-HNNXBMFYSA-N 1 2 281.400 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233752592 806114735 /nfs/dbraw/zinc/11/47/35/806114735.db2.gz STFVIJONCFRSMU-NEPJUHHUSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233752592 806114736 /nfs/dbraw/zinc/11/47/36/806114736.db2.gz STFVIJONCFRSMU-NEPJUHHUSA-N 1 2 261.329 0.005 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233967312 806158642 /nfs/dbraw/zinc/15/86/42/806158642.db2.gz YNDWKWXBHMGHOF-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233967312 806158648 /nfs/dbraw/zinc/15/86/48/806158648.db2.gz YNDWKWXBHMGHOF-OLZOCXBDSA-N 1 2 277.368 0.211 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234119496 806186161 /nfs/dbraw/zinc/18/61/61/806186161.db2.gz PEZLRYRLURNIBB-AWEZNQCLSA-N 1 2 293.411 0.657 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234119496 806186164 /nfs/dbraw/zinc/18/61/64/806186164.db2.gz PEZLRYRLURNIBB-AWEZNQCLSA-N 1 2 293.411 0.657 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234129036 806186816 /nfs/dbraw/zinc/18/68/16/806186816.db2.gz GYQBGRLXPJENBM-QLKUMGTLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234129036 806186819 /nfs/dbraw/zinc/18/68/19/806186819.db2.gz GYQBGRLXPJENBM-QLKUMGTLSA-N 1 2 291.395 0.625 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234160486 806192320 /nfs/dbraw/zinc/19/23/20/806192320.db2.gz HLQVUIAPOUEMCM-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234160486 806192322 /nfs/dbraw/zinc/19/23/22/806192322.db2.gz HLQVUIAPOUEMCM-CHWSQXEVSA-N 1 2 277.368 0.067 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216603 806204669 /nfs/dbraw/zinc/20/46/69/806204669.db2.gz ZKJSQGJHJQGZEF-OLZOCXBDSA-N 1 2 293.411 0.703 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216603 806204677 /nfs/dbraw/zinc/20/46/77/806204677.db2.gz ZKJSQGJHJQGZEF-OLZOCXBDSA-N 1 2 293.411 0.703 20 30 CCEDLO COCCOCN1CCO[C@@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277938615 806410854 /nfs/dbraw/zinc/41/08/54/806410854.db2.gz CHZACLSAKPXOBX-OAHLLOKOSA-N 1 2 297.399 0.687 20 30 CCEDLO COCCOCN1CCO[C@@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277938615 806410858 /nfs/dbraw/zinc/41/08/58/806410858.db2.gz CHZACLSAKPXOBX-OAHLLOKOSA-N 1 2 297.399 0.687 20 30 CCEDLO Cc1nc(N[C@H](CO)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001121439111 799047128 /nfs/dbraw/zinc/04/71/28/799047128.db2.gz FOKPNGUMOSIWIL-LBPRGKRZSA-N 1 2 274.324 0.087 20 30 CCEDLO C=CCCC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC001122252008 799178975 /nfs/dbraw/zinc/17/89/75/799178975.db2.gz HZPUYODFDSZOQE-BDAKNGLRSA-N 1 2 278.299 0.983 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795997 799476024 /nfs/dbraw/zinc/47/60/24/799476024.db2.gz UNPKRYKZYUXNIN-HIFRSBDPSA-N 1 2 292.427 0.676 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795997 799476029 /nfs/dbraw/zinc/47/60/29/799476029.db2.gz UNPKRYKZYUXNIN-HIFRSBDPSA-N 1 2 292.427 0.676 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001124764950 799633797 /nfs/dbraw/zinc/63/37/97/799633797.db2.gz GGDNKZXCHVNWIO-JTQLQIEISA-N 1 2 298.343 0.185 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001124773418 799634467 /nfs/dbraw/zinc/63/44/67/799634467.db2.gz REUVWPSHIRHLBX-SNVBAGLBSA-N 1 2 282.344 0.601 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001125248167 799670591 /nfs/dbraw/zinc/67/05/91/799670591.db2.gz OCLNWBNSUZWUGD-UHFFFAOYSA-N 1 2 296.371 0.821 20 30 CCEDLO Cn1cncc1C[NH+]1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278246558 806789693 /nfs/dbraw/zinc/78/96/93/806789693.db2.gz GKSQTADNIXXJMV-CQSZACIVSA-N 1 2 299.378 0.614 20 30 CCEDLO COC(=O)[C@H](CS)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975558 800476129 /nfs/dbraw/zinc/47/61/29/800476129.db2.gz CDRKLEPKHVEHRY-JTQLQIEISA-N 1 2 279.321 0.764 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nnc3cnccn32)CC1 ZINC001152026010 800483263 /nfs/dbraw/zinc/48/32/63/800483263.db2.gz NMBSKKNSECLOOU-UHFFFAOYSA-N 1 2 272.312 0.068 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001153149356 800603117 /nfs/dbraw/zinc/60/31/17/800603117.db2.gz WIIWJPAWYOUUJA-JTQLQIEISA-N 1 2 282.344 0.429 20 30 CCEDLO COc1cc(C#N)nc(NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001155197415 800929163 /nfs/dbraw/zinc/92/91/63/800929163.db2.gz VDDRWXJUQXMUNC-GFCCVEGCSA-N 1 2 262.313 0.704 20 30 CCEDLO COc1cc(C#N)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001155197415 800929165 /nfs/dbraw/zinc/92/91/65/800929165.db2.gz VDDRWXJUQXMUNC-GFCCVEGCSA-N 1 2 262.313 0.704 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1nc(C(N)=O)cc2ccccc21 ZINC001156327509 801151258 /nfs/dbraw/zinc/15/12/58/801151258.db2.gz CCLRROHVXLTIRZ-NSHDSACASA-N 1 2 281.319 0.635 20 30 CCEDLO CC(C)[NH+]1CC(Nc2nc(Cl)ncc2C#N)C1 ZINC001157526277 801405772 /nfs/dbraw/zinc/40/57/72/801405772.db2.gz OMCUAIUBAJCLJU-UHFFFAOYSA-N 1 2 251.721 0.928 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(OC)cc(C#N)n2)C[NH2+]1 ZINC001158254672 801604960 /nfs/dbraw/zinc/60/49/60/801604960.db2.gz HPLJUXHFCKNXMX-KOLCDFICSA-N 1 2 276.296 0.277 20 30 CCEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001158915139 801722256 /nfs/dbraw/zinc/72/22/56/801722256.db2.gz OCXOWJBXTDXNOL-JTQLQIEISA-N 1 2 277.328 0.940 20 30 CCEDLO N#Cc1ncc(Nc2nccnc2C[NH3+])nc1C#N ZINC001160250801 801925043 /nfs/dbraw/zinc/92/50/43/801925043.db2.gz QWIJTRSBCZACSA-UHFFFAOYSA-N 1 2 252.241 0.212 20 30 CCEDLO COc1nc(C)nc(NC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001162682770 802390290 /nfs/dbraw/zinc/39/02/90/802390290.db2.gz GXZUKSMGQRWUEU-SNVBAGLBSA-N 1 2 277.328 0.408 20 30 CCEDLO COc1nc(C)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001162682770 802390295 /nfs/dbraw/zinc/39/02/95/802390295.db2.gz GXZUKSMGQRWUEU-SNVBAGLBSA-N 1 2 277.328 0.408 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2cc(Cl)nc(CC#N)n2)C1 ZINC001162682919 802391169 /nfs/dbraw/zinc/39/11/69/802391169.db2.gz KJSMPZKAJSFKKN-SECBINFHSA-N 1 2 281.747 0.939 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2cc(Cl)nc(CC#N)n2)C1 ZINC001162682919 802391176 /nfs/dbraw/zinc/39/11/76/802391176.db2.gz KJSMPZKAJSFKKN-SECBINFHSA-N 1 2 281.747 0.939 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC001264372302 809644331 /nfs/dbraw/zinc/64/43/31/809644331.db2.gz BSAFDZZJSLTYPB-CQSZACIVSA-N 1 2 288.351 0.273 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC001264372302 809644333 /nfs/dbraw/zinc/64/43/33/809644333.db2.gz BSAFDZZJSLTYPB-CQSZACIVSA-N 1 2 288.351 0.273 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001164223944 802691430 /nfs/dbraw/zinc/69/14/30/802691430.db2.gz YJMRKGBANHBSNV-MNOVXSKESA-N 1 2 280.376 0.264 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(OCC#N)cn2)C[NH2+]1 ZINC001164305542 802715931 /nfs/dbraw/zinc/71/59/31/802715931.db2.gz YJMXELVLDJQXEH-ONGXEEELSA-N 1 2 276.296 0.299 20 30 CCEDLO C#CCCCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001269401851 813359357 /nfs/dbraw/zinc/35/93/57/813359357.db2.gz GJARVZNAJJMMLF-UHFFFAOYSA-N 1 2 262.313 0.612 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001271270435 814360712 /nfs/dbraw/zinc/36/07/12/814360712.db2.gz WOXDFHOEWCSUAP-CYBMUJFWSA-N 1 2 280.368 0.132 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)ccc3F)C[C@@H](C1)O2 ZINC001276531114 803394767 /nfs/dbraw/zinc/39/47/67/803394767.db2.gz JHKHBJOKHGDFHO-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)ccc3F)C[C@@H](C1)O2 ZINC001276531114 803394771 /nfs/dbraw/zinc/39/47/71/803394771.db2.gz JHKHBJOKHGDFHO-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001276539579 803415380 /nfs/dbraw/zinc/41/53/80/803415380.db2.gz DRXGPESLPPGJTK-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001276539579 803415383 /nfs/dbraw/zinc/41/53/83/803415383.db2.gz DRXGPESLPPGJTK-GDBMZVCRSA-N 1 2 294.395 0.738 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211966776 814947252 /nfs/dbraw/zinc/94/72/52/814947252.db2.gz BWGKGKMQUNIXGD-ISJXMTRFSA-N 1 2 294.395 0.808 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211966776 814947256 /nfs/dbraw/zinc/94/72/56/814947256.db2.gz BWGKGKMQUNIXGD-ISJXMTRFSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213350028 803691496 /nfs/dbraw/zinc/69/14/96/803691496.db2.gz CTGXZFKARSVBAZ-JHJVBQTASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213350028 803691499 /nfs/dbraw/zinc/69/14/99/803691499.db2.gz CTGXZFKARSVBAZ-JHJVBQTASA-N 1 2 295.383 0.047 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)[C@H](OC)C1 ZINC001213387491 803692944 /nfs/dbraw/zinc/69/29/44/803692944.db2.gz ZLKABIGIDPOAHO-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CC2)[C@H](OC)C1 ZINC001213387491 803692946 /nfs/dbraw/zinc/69/29/46/803692946.db2.gz ZLKABIGIDPOAHO-VXGBXAGGSA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603175 814967348 /nfs/dbraw/zinc/96/73/48/814967348.db2.gz BYXBKMQXQOUAER-UTUOFQBUSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603175 814967350 /nfs/dbraw/zinc/96/73/50/814967350.db2.gz BYXBKMQXQOUAER-UTUOFQBUSA-N 1 2 299.802 0.796 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 ZINC001083441278 814971593 /nfs/dbraw/zinc/97/15/93/814971593.db2.gz FZIMQDRPWXDTPR-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 ZINC001083441278 814971600 /nfs/dbraw/zinc/97/16/00/814971600.db2.gz FZIMQDRPWXDTPR-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CO[C@@H](C)CC)[C@H]2C1 ZINC001217660727 803900055 /nfs/dbraw/zinc/90/00/55/803900055.db2.gz YSYPJRYDOHDRJW-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CO[C@@H](C)CC)[C@H]2C1 ZINC001217660727 803900065 /nfs/dbraw/zinc/90/00/65/803900065.db2.gz YSYPJRYDOHDRJW-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039280 814982835 /nfs/dbraw/zinc/98/28/35/814982835.db2.gz IRFZPVBGMAOFIU-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039280 814982839 /nfs/dbraw/zinc/98/28/39/814982839.db2.gz IRFZPVBGMAOFIU-ZWKOPEQDSA-N 1 2 292.339 0.458 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1O ZINC001276793107 804087455 /nfs/dbraw/zinc/08/74/55/804087455.db2.gz OZFCPPLUYYUQEH-ZDUSSCGKSA-N 1 2 288.347 0.846 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1O ZINC001276793107 804087468 /nfs/dbraw/zinc/08/74/68/804087468.db2.gz OZFCPPLUYYUQEH-ZDUSSCGKSA-N 1 2 288.347 0.846 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1occ(C)c1C#N ZINC001218765504 804115885 /nfs/dbraw/zinc/11/58/85/804115885.db2.gz XHEDJCABLBWBAY-QMMMGPOBSA-N 1 2 251.242 0.289 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(CC#N)c1 ZINC001218988203 804175470 /nfs/dbraw/zinc/17/54/70/804175470.db2.gz SEAZZJXNIQEODQ-NSHDSACASA-N 1 2 261.281 0.582 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(F)c(C#N)cc1OC ZINC001219107737 804202151 /nfs/dbraw/zinc/20/21/51/804202151.db2.gz RNQOJGUJHBNEQI-VIFPVBQESA-N 1 2 295.270 0.535 20 30 CCEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001075919800 815004347 /nfs/dbraw/zinc/00/43/47/815004347.db2.gz CHONCYNTUAJNNU-NSHDSACASA-N 1 2 294.355 0.166 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219383216 804283295 /nfs/dbraw/zinc/28/32/95/804283295.db2.gz GYNUGDMXDCKXGF-VWPSMYJVSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219383216 804283303 /nfs/dbraw/zinc/28/33/03/804283303.db2.gz GYNUGDMXDCKXGF-VWPSMYJVSA-N 1 2 257.721 0.060 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219536149 804339845 /nfs/dbraw/zinc/33/98/45/804339845.db2.gz LVSZHUMTCYHUMU-CGZGESENSA-N 1 2 288.775 0.227 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219536149 804339854 /nfs/dbraw/zinc/33/98/54/804339854.db2.gz LVSZHUMTCYHUMU-CGZGESENSA-N 1 2 288.775 0.227 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219539623 804340369 /nfs/dbraw/zinc/34/03/69/804340369.db2.gz TWEUUCZZGKCDSE-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219539623 804340377 /nfs/dbraw/zinc/34/03/77/804340377.db2.gz TWEUUCZZGKCDSE-KGLIPLIRSA-N 1 2 291.351 0.448 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C#N)c1ccccc1 ZINC001219557678 804348836 /nfs/dbraw/zinc/34/88/36/804348836.db2.gz BWMLKQRNNMGKSN-QWRGUYRKSA-N 1 2 261.281 0.258 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@@H](O)C1 ZINC001219686524 804403078 /nfs/dbraw/zinc/40/30/78/804403078.db2.gz PFXDKWDHGCWBCP-KGLIPLIRSA-N 1 2 262.353 0.549 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@@H](O)C1 ZINC001219686524 804403084 /nfs/dbraw/zinc/40/30/84/804403084.db2.gz PFXDKWDHGCWBCP-KGLIPLIRSA-N 1 2 262.353 0.549 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219718500 804413123 /nfs/dbraw/zinc/41/31/23/804413123.db2.gz GYLQMZNTZCZDSF-MNOVXSKESA-N 1 2 297.380 0.121 20 30 CCEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219718500 804413127 /nfs/dbraw/zinc/41/31/27/804413127.db2.gz GYLQMZNTZCZDSF-MNOVXSKESA-N 1 2 297.380 0.121 20 30 CCEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220172377 804525297 /nfs/dbraw/zinc/52/52/97/804525297.db2.gz QZYQMYSMCWZCCI-YGTTZKIMSA-N 1 2 292.379 0.320 20 30 CCEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220172377 804525304 /nfs/dbraw/zinc/52/53/04/804525304.db2.gz QZYQMYSMCWZCCI-YGTTZKIMSA-N 1 2 292.379 0.320 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)[C@@H](O)C1 ZINC001220253645 804552647 /nfs/dbraw/zinc/55/26/47/804552647.db2.gz ZBZRPZVPCHVLMP-NEPJUHHUSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCC)[C@@H](O)C1 ZINC001220253645 804552652 /nfs/dbraw/zinc/55/26/52/804552652.db2.gz ZBZRPZVPCHVLMP-NEPJUHHUSA-N 1 2 252.358 0.607 20 30 CCEDLO C[NH2+][C@@H](CC(C)C)C(=O)N=C(NO)c1ccc(OC)cn1 ZINC001220377455 804588074 /nfs/dbraw/zinc/58/80/74/804588074.db2.gz YPPCZQPCOAQNGJ-LBPRGKRZSA-N 1 2 294.355 0.976 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001220519800 804618520 /nfs/dbraw/zinc/61/85/20/804618520.db2.gz CHFYSTTXSWBLHQ-YUTCNCBUSA-N 1 2 292.383 0.326 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001220519800 804618522 /nfs/dbraw/zinc/61/85/22/804618522.db2.gz CHFYSTTXSWBLHQ-YUTCNCBUSA-N 1 2 292.383 0.326 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccco2)[C@@H](O)C1 ZINC001220532682 804622413 /nfs/dbraw/zinc/62/24/13/804622413.db2.gz TZQWKSHSVPAMAU-YUTCNCBUSA-N 1 2 276.336 0.253 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccco2)[C@@H](O)C1 ZINC001220532682 804622421 /nfs/dbraw/zinc/62/24/21/804622421.db2.gz TZQWKSHSVPAMAU-YUTCNCBUSA-N 1 2 276.336 0.253 20 30 CCEDLO C=C1CC=C(F)C=C1NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001220797991 804669947 /nfs/dbraw/zinc/66/99/47/804669947.db2.gz ZZHUOGSZXRTUOD-VIFPVBQESA-N 1 2 254.261 0.690 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)C)[C@@H]2C1 ZINC001221231020 804751925 /nfs/dbraw/zinc/75/19/25/804751925.db2.gz SEVOKAYHLQTPNX-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)C)[C@@H]2C1 ZINC001221231020 804751930 /nfs/dbraw/zinc/75/19/30/804751930.db2.gz SEVOKAYHLQTPNX-ZIAGYGMSSA-N 1 2 291.395 0.315 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 ZINC001221436331 804817739 /nfs/dbraw/zinc/81/77/39/804817739.db2.gz UQXHVWZSECJHPU-TZMCWYRMSA-N 1 2 289.335 0.471 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 ZINC001221436331 804817746 /nfs/dbraw/zinc/81/77/46/804817746.db2.gz UQXHVWZSECJHPU-TZMCWYRMSA-N 1 2 289.335 0.471 20 30 CCEDLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536235 804830189 /nfs/dbraw/zinc/83/01/89/804830189.db2.gz FSMMYBOXCQPSCQ-YNEHKIRRSA-N 1 2 291.395 0.442 20 30 CCEDLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221536235 804830200 /nfs/dbraw/zinc/83/02/00/804830200.db2.gz FSMMYBOXCQPSCQ-YNEHKIRRSA-N 1 2 291.395 0.442 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738727 804841010 /nfs/dbraw/zinc/84/10/10/804841010.db2.gz SSVIFPJDLNFQIM-JHJVBQTASA-N 1 2 295.358 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738727 804841018 /nfs/dbraw/zinc/84/10/18/804841018.db2.gz SSVIFPJDLNFQIM-JHJVBQTASA-N 1 2 295.358 0.017 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001276891813 804972524 /nfs/dbraw/zinc/97/25/24/804972524.db2.gz MNZFYTAVZAEMSN-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001276891813 804972533 /nfs/dbraw/zinc/97/25/33/804972533.db2.gz MNZFYTAVZAEMSN-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001276942191 805004210 /nfs/dbraw/zinc/00/42/10/805004210.db2.gz TZCAQHVYZXMKMP-CQSZACIVSA-N 1 2 290.367 0.183 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001276942191 805004220 /nfs/dbraw/zinc/00/42/20/805004220.db2.gz TZCAQHVYZXMKMP-CQSZACIVSA-N 1 2 290.367 0.183 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978743 805048410 /nfs/dbraw/zinc/04/84/10/805048410.db2.gz NEHBNFPOPVLIFO-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978743 805048415 /nfs/dbraw/zinc/04/84/15/805048415.db2.gz NEHBNFPOPVLIFO-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226713210 805269563 /nfs/dbraw/zinc/26/95/63/805269563.db2.gz XEMDFVVQIAZRCM-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226713210 805269569 /nfs/dbraw/zinc/26/95/69/805269569.db2.gz XEMDFVVQIAZRCM-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO Cc1occc(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227243066 805335582 /nfs/dbraw/zinc/33/55/82/805335582.db2.gz WAKVNDSDANYRSK-OTDFPYDRSA-N 1 2 263.293 0.939 20 30 CCEDLO Cc1occc(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227243066 805335593 /nfs/dbraw/zinc/33/55/93/805335593.db2.gz WAKVNDSDANYRSK-OTDFPYDRSA-N 1 2 263.293 0.939 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227342298 805343303 /nfs/dbraw/zinc/34/33/03/805343303.db2.gz MDPKVBJPYMMHNM-LBPRGKRZSA-N 1 2 291.351 0.794 20 30 CCEDLO COC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001227830338 805396846 /nfs/dbraw/zinc/39/68/46/805396846.db2.gz PAVWAUKRHYIYIW-LSVRBPJHSA-N 1 2 290.319 0.859 20 30 CCEDLO COC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001227830338 805396857 /nfs/dbraw/zinc/39/68/57/805396857.db2.gz PAVWAUKRHYIYIW-LSVRBPJHSA-N 1 2 290.319 0.859 20 30 CCEDLO C=CCCCNC(=S)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001247740134 807484343 /nfs/dbraw/zinc/48/43/43/807484343.db2.gz YQDSYDZPUBHLTD-NSHDSACASA-N 1 2 285.413 0.616 20 30 CCEDLO C=CCCCNC(=S)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001247740134 807484346 /nfs/dbraw/zinc/48/43/46/807484346.db2.gz YQDSYDZPUBHLTD-NSHDSACASA-N 1 2 285.413 0.616 20 30 CCEDLO N#C[C@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001251002742 807634239 /nfs/dbraw/zinc/63/42/39/807634239.db2.gz VBPHFZUKLCVAAV-CABCVRRESA-N 1 2 275.352 0.534 20 30 CCEDLO Cc1cnc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1 ZINC001251007205 807639087 /nfs/dbraw/zinc/63/90/87/807639087.db2.gz SULDNIUTEGUFTF-ZDUSSCGKSA-N 1 2 276.340 0.367 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001251851960 807720292 /nfs/dbraw/zinc/72/02/92/807720292.db2.gz XAXFFZYCGXHGOM-GFCCVEGCSA-N 1 2 298.383 0.596 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001251881245 807732391 /nfs/dbraw/zinc/73/23/91/807732391.db2.gz QDXZYNYUGUHPIC-QWHCGFSZSA-N 1 2 285.384 0.953 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001251897240 807741567 /nfs/dbraw/zinc/74/15/67/807741567.db2.gz WDSNVYSPLRYSBH-ZDUSSCGKSA-N 1 2 291.347 0.521 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001252467919 807878922 /nfs/dbraw/zinc/87/89/22/807878922.db2.gz IBCJGVNRQYQDSZ-LBPRGKRZSA-N 1 2 276.327 0.575 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252551926 807907424 /nfs/dbraw/zinc/90/74/24/807907424.db2.gz DZFSAIHZSDXNQK-AAEUAGOBSA-N 1 2 266.345 0.298 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252551926 807907428 /nfs/dbraw/zinc/90/74/28/807907428.db2.gz DZFSAIHZSDXNQK-AAEUAGOBSA-N 1 2 266.345 0.298 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](O)C1 ZINC001083500578 815170761 /nfs/dbraw/zinc/17/07/61/815170761.db2.gz SXFFOWUXNOKCFJ-NEPJUHHUSA-N 1 2 273.292 0.169 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H](O)C1 ZINC001083500578 815170765 /nfs/dbraw/zinc/17/07/65/815170765.db2.gz SXFFOWUXNOKCFJ-NEPJUHHUSA-N 1 2 273.292 0.169 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253677342 808110861 /nfs/dbraw/zinc/11/08/61/808110861.db2.gz NCRFMMLUIGCEKG-GHMZBOCLSA-N 1 2 299.392 0.963 20 30 CCEDLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001253677342 808110867 /nfs/dbraw/zinc/11/08/67/808110867.db2.gz NCRFMMLUIGCEKG-GHMZBOCLSA-N 1 2 299.392 0.963 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253689269 808117530 /nfs/dbraw/zinc/11/75/30/808117530.db2.gz QOSFBCOXUBZKBT-GXFFZTMASA-N 1 2 254.330 0.925 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001253689269 808117532 /nfs/dbraw/zinc/11/75/32/808117532.db2.gz QOSFBCOXUBZKBT-GXFFZTMASA-N 1 2 254.330 0.925 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCN(C(C)=O)CC1 ZINC001254413724 808236529 /nfs/dbraw/zinc/23/65/29/808236529.db2.gz FWPLGTHBXQUSPB-NSHDSACASA-N 1 2 274.386 0.448 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(COC)no2)C1 ZINC001254557613 808260012 /nfs/dbraw/zinc/26/00/12/808260012.db2.gz SDNAAPBAHHZDAK-SNVBAGLBSA-N 1 2 253.302 0.993 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(COC)no2)C1 ZINC001254557613 808260014 /nfs/dbraw/zinc/26/00/14/808260014.db2.gz SDNAAPBAHHZDAK-SNVBAGLBSA-N 1 2 253.302 0.993 20 30 CCEDLO Cc1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126893050 815197097 /nfs/dbraw/zinc/19/70/97/815197097.db2.gz DHCWZVGSZIEEKO-UHFFFAOYSA-N 1 2 264.329 0.633 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126899628 815203787 /nfs/dbraw/zinc/20/37/87/815203787.db2.gz VYEDXTWFVRVWDH-JTQLQIEISA-N 1 2 292.339 0.396 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CCC2CCOCC2)C1 ZINC001278910406 808469104 /nfs/dbraw/zinc/46/91/04/808469104.db2.gz DSXHHAMUDAYFAS-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO COC(=O)C[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC ZINC001256950932 808570978 /nfs/dbraw/zinc/57/09/78/808570978.db2.gz RPTLHSPXVIIUNU-ILDUYXDCSA-N 1 2 268.313 0.763 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001258270059 808668408 /nfs/dbraw/zinc/66/84/08/808668408.db2.gz SSRGTZUQKFCXTC-GFCCVEGCSA-N 1 2 254.330 0.122 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1 ZINC001083539901 815237069 /nfs/dbraw/zinc/23/70/69/815237069.db2.gz ZDZSQDPTKISBTA-OXHZDVMGSA-N 1 2 290.367 0.251 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1 ZINC001083539901 815237071 /nfs/dbraw/zinc/23/70/71/815237071.db2.gz ZDZSQDPTKISBTA-OXHZDVMGSA-N 1 2 290.367 0.251 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001083542675 815246328 /nfs/dbraw/zinc/24/63/28/815246328.db2.gz JIQYUDJPGMETNP-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001083542675 815246333 /nfs/dbraw/zinc/24/63/33/815246333.db2.gz JIQYUDJPGMETNP-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076375515 815285765 /nfs/dbraw/zinc/28/57/65/815285765.db2.gz LAAUHGMRIIEUAU-VHSXEESVSA-N 1 2 281.747 0.704 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076375515 815285769 /nfs/dbraw/zinc/28/57/69/815285769.db2.gz LAAUHGMRIIEUAU-VHSXEESVSA-N 1 2 281.747 0.704 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)CC#C)n2C)CC1 ZINC001262914790 809422176 /nfs/dbraw/zinc/42/21/76/809422176.db2.gz SVWQHSFKWCFSNZ-UHFFFAOYSA-N 1 2 285.395 0.871 20 30 CCEDLO C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001263805213 809574023 /nfs/dbraw/zinc/57/40/23/809574023.db2.gz MQWKGKJDWLVISW-LBPRGKRZSA-N 1 2 293.371 0.462 20 30 CCEDLO C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001263805213 809574028 /nfs/dbraw/zinc/57/40/28/809574028.db2.gz MQWKGKJDWLVISW-LBPRGKRZSA-N 1 2 293.371 0.462 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C ZINC001263823486 809579501 /nfs/dbraw/zinc/57/95/01/809579501.db2.gz OLWKHNSBRJKMSH-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C ZINC001263823486 809579506 /nfs/dbraw/zinc/57/95/06/809579506.db2.gz OLWKHNSBRJKMSH-CYBMUJFWSA-N 1 2 290.367 0.514 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001265208836 809725026 /nfs/dbraw/zinc/72/50/26/809725026.db2.gz XQLATZJBWPBNNM-CQSZACIVSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001265208836 809725028 /nfs/dbraw/zinc/72/50/28/809725028.db2.gz XQLATZJBWPBNNM-CQSZACIVSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001265213764 809726971 /nfs/dbraw/zinc/72/69/71/809726971.db2.gz YFGONSAGFIHMDS-LBPRGKRZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001265213764 809726975 /nfs/dbraw/zinc/72/69/75/809726975.db2.gz YFGONSAGFIHMDS-LBPRGKRZSA-N 1 2 297.399 0.030 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC001265257866 809733518 /nfs/dbraw/zinc/73/35/18/809733518.db2.gz QVAPNVKSNQKCDZ-AWEZNQCLSA-N 1 2 277.412 0.790 20 30 CCEDLO CC1(C)CC[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265263139 809734766 /nfs/dbraw/zinc/73/47/66/809734766.db2.gz UDQIRDPXQIOWQT-CYBMUJFWSA-N 1 2 278.400 0.680 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001265262912 809735277 /nfs/dbraw/zinc/73/52/77/809735277.db2.gz MQVGAGRXQZUWIK-QWHCGFSZSA-N 1 2 282.363 0.382 20 30 CCEDLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265265451 809735829 /nfs/dbraw/zinc/73/58/29/809735829.db2.gz YRTJUTWPZGRZNM-ZBFHGGJFSA-N 1 2 292.427 0.926 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC001265268658 809737380 /nfs/dbraw/zinc/73/73/80/809737380.db2.gz UONMEUIFNFFLBA-CQSZACIVSA-N 1 2 287.363 0.793 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC001265268658 809737384 /nfs/dbraw/zinc/73/73/84/809737384.db2.gz UONMEUIFNFFLBA-CQSZACIVSA-N 1 2 287.363 0.793 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC1 ZINC001265636375 809817365 /nfs/dbraw/zinc/81/73/65/809817365.db2.gz HZEDCRPKBKGFIC-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC1 ZINC001265636375 809817370 /nfs/dbraw/zinc/81/73/70/809817370.db2.gz HZEDCRPKBKGFIC-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001265775103 809850360 /nfs/dbraw/zinc/85/03/60/809850360.db2.gz NFJUYHHOWJKNHX-LLVKDONJSA-N 1 2 279.340 0.617 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001266218945 809967350 /nfs/dbraw/zinc/96/73/50/809967350.db2.gz TXAHNDJNDPNPFP-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266218945 809967356 /nfs/dbraw/zinc/96/73/56/809967356.db2.gz TXAHNDJNDPNPFP-RYUDHWBXSA-N 1 2 265.357 0.100 20 30 CCEDLO C#CC[N@H+]1CCC[C@](CO)(NC(=O)C2(F)CCCC2)C1 ZINC001279490214 809984483 /nfs/dbraw/zinc/98/44/83/809984483.db2.gz KRVYCUMJVXBPHE-AWEZNQCLSA-N 1 2 282.359 0.845 20 30 CCEDLO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C2(F)CCCC2)C1 ZINC001279490214 809984487 /nfs/dbraw/zinc/98/44/87/809984487.db2.gz KRVYCUMJVXBPHE-AWEZNQCLSA-N 1 2 282.359 0.845 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]cc3C)[C@H]2C1 ZINC001083273228 811420686 /nfs/dbraw/zinc/42/06/86/811420686.db2.gz HSTXYSSWYQMZTO-UONOGXRCSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]cc3C)[C@H]2C1 ZINC001083273228 811420691 /nfs/dbraw/zinc/42/06/91/811420691.db2.gz HSTXYSSWYQMZTO-UONOGXRCSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001077112534 815447841 /nfs/dbraw/zinc/44/78/41/815447841.db2.gz YUZJOGMSRPBCIA-CHWSQXEVSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001077112534 815447844 /nfs/dbraw/zinc/44/78/44/815447844.db2.gz YUZJOGMSRPBCIA-CHWSQXEVSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001077130219 815448728 /nfs/dbraw/zinc/44/87/28/815448728.db2.gz XBKWPERTJJIQJW-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001077130219 815448732 /nfs/dbraw/zinc/44/87/32/815448732.db2.gz XBKWPERTJJIQJW-CHWSQXEVSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595712 811462148 /nfs/dbraw/zinc/46/21/48/811462148.db2.gz WBPUMJKENDGPJB-CQSZACIVSA-N 1 2 287.367 0.574 20 30 CCEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](CC)OCC)CC1 ZINC001267574158 811466609 /nfs/dbraw/zinc/46/66/09/811466609.db2.gz WZONEIADZAWIBP-OAHLLOKOSA-N 1 2 295.427 0.511 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(Cl)c2C)C1 ZINC001077173664 815456410 /nfs/dbraw/zinc/45/64/10/815456410.db2.gz HAIDYWZSHHQKHM-CHWSQXEVSA-N 1 2 293.754 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(Cl)c2C)C1 ZINC001077173664 815456414 /nfs/dbraw/zinc/45/64/14/815456414.db2.gz HAIDYWZSHHQKHM-CHWSQXEVSA-N 1 2 293.754 0.452 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC2(F)F)CC1 ZINC001267607568 811553908 /nfs/dbraw/zinc/55/39/08/811553908.db2.gz MZSAVTDFBNJRTD-GFCCVEGCSA-N 1 2 287.354 0.904 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001267634491 811592493 /nfs/dbraw/zinc/59/24/93/811592493.db2.gz BFZUBPNWMPANAY-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCOCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001267634491 811592498 /nfs/dbraw/zinc/59/24/98/811592498.db2.gz BFZUBPNWMPANAY-NEPJUHHUSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001267639304 811600264 /nfs/dbraw/zinc/60/02/64/811600264.db2.gz CHDKBGQMKBJICE-VXGBXAGGSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)CCc2cn(C)nc2C)C1 ZINC001267661295 811628895 /nfs/dbraw/zinc/62/88/95/811628895.db2.gz FDMOBOYZPKOORO-UHFFFAOYSA-N 1 2 262.357 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001038346370 811672637 /nfs/dbraw/zinc/67/26/37/811672637.db2.gz RDRVJCCDSYIQDZ-LLVKDONJSA-N 1 2 287.319 0.290 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001038346370 811672644 /nfs/dbraw/zinc/67/26/44/811672644.db2.gz RDRVJCCDSYIQDZ-LLVKDONJSA-N 1 2 287.319 0.290 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001267736728 811706480 /nfs/dbraw/zinc/70/64/80/811706480.db2.gz KZGOZCAKQGXKBR-QWHCGFSZSA-N 1 2 290.367 0.173 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001267736728 811706484 /nfs/dbraw/zinc/70/64/84/811706484.db2.gz KZGOZCAKQGXKBR-QWHCGFSZSA-N 1 2 290.367 0.173 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001267740476 811722029 /nfs/dbraw/zinc/72/20/29/811722029.db2.gz HWHKLNLVMUAMRA-DOMZBBRYSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001267740476 811722034 /nfs/dbraw/zinc/72/20/34/811722034.db2.gz HWHKLNLVMUAMRA-DOMZBBRYSA-N 1 2 292.383 0.438 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CCNCC#N ZINC001104909096 811767347 /nfs/dbraw/zinc/76/73/47/811767347.db2.gz XMHQOSIUJLQOBX-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083294501 811775333 /nfs/dbraw/zinc/77/53/33/811775333.db2.gz FBFOOAZDJGYEPD-CABCVRRESA-N 1 2 272.348 0.609 20 30 CCEDLO CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083294501 811775340 /nfs/dbraw/zinc/77/53/40/811775340.db2.gz FBFOOAZDJGYEPD-CABCVRRESA-N 1 2 272.348 0.609 20 30 CCEDLO C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571513 815478868 /nfs/dbraw/zinc/47/88/68/815478868.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](O)C1 ZINC001083571513 815478891 /nfs/dbraw/zinc/47/88/91/815478891.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](O)C1 ZINC001083571513 815478897 /nfs/dbraw/zinc/47/88/97/815478897.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571513 815478900 /nfs/dbraw/zinc/47/89/00/815478900.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 1 2 281.400 0.208 20 30 CCEDLO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083571513 815478905 /nfs/dbraw/zinc/47/89/05/815478905.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 1 2 281.400 0.208 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccc3)C2)nn1 ZINC001105140300 811855392 /nfs/dbraw/zinc/85/53/92/811855392.db2.gz XYDQJENEBGXXDZ-UHFFFAOYSA-N 1 2 295.346 0.698 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001077350871 815485266 /nfs/dbraw/zinc/48/52/66/815485266.db2.gz ADJKFMWVTLMEGF-HZPDHXFCSA-N 1 2 299.374 0.369 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001077350871 815485267 /nfs/dbraw/zinc/48/52/67/815485267.db2.gz ADJKFMWVTLMEGF-HZPDHXFCSA-N 1 2 299.374 0.369 20 30 CCEDLO Cc1nc(N(C)CCN(C)C(=O)CSCC#N)cc[nH+]1 ZINC001105329179 811923949 /nfs/dbraw/zinc/92/39/49/811923949.db2.gz TZOTYFWJOCUZAW-UHFFFAOYSA-N 1 2 293.396 0.936 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038693893 811967624 /nfs/dbraw/zinc/96/76/24/811967624.db2.gz OSZWLGGWPYLWLB-NSHDSACASA-N 1 2 275.356 0.298 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001038693893 811967630 /nfs/dbraw/zinc/96/76/30/811967630.db2.gz OSZWLGGWPYLWLB-NSHDSACASA-N 1 2 275.356 0.298 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC2(COC)CC2)C1 ZINC001268022305 811972409 /nfs/dbraw/zinc/97/24/09/811972409.db2.gz ONMKKJWCTKHPHO-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC2(COC)CC2)C1 ZINC001268022305 811972415 /nfs/dbraw/zinc/97/24/15/811972415.db2.gz ONMKKJWCTKHPHO-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001077420240 815496954 /nfs/dbraw/zinc/49/69/54/815496954.db2.gz QMFLLLUDTXJTKI-BVIKNXMNSA-N 1 2 298.386 0.759 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001077420240 815496960 /nfs/dbraw/zinc/49/69/60/815496960.db2.gz QMFLLLUDTXJTKI-BVIKNXMNSA-N 1 2 298.386 0.759 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001038511811 815499034 /nfs/dbraw/zinc/49/90/34/815499034.db2.gz RSVJLEUGNBCUKR-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001038511811 815499040 /nfs/dbraw/zinc/49/90/40/815499040.db2.gz RSVJLEUGNBCUKR-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001038782846 812076142 /nfs/dbraw/zinc/07/61/42/812076142.db2.gz YBPPDMOJYQPKMG-LLVKDONJSA-N 1 2 286.335 0.497 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001038782846 812076152 /nfs/dbraw/zinc/07/61/52/812076152.db2.gz YBPPDMOJYQPKMG-LLVKDONJSA-N 1 2 286.335 0.497 20 30 CCEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001058919331 812382249 /nfs/dbraw/zinc/38/22/49/812382249.db2.gz JTCLAGWZYROJNK-ZDUSSCGKSA-N 1 2 296.334 0.285 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001268237989 812402941 /nfs/dbraw/zinc/40/29/41/812402941.db2.gz SZZUNEFRYMKOSB-UHFFFAOYSA-N 1 2 295.427 0.951 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001268237989 812402947 /nfs/dbraw/zinc/40/29/47/812402947.db2.gz SZZUNEFRYMKOSB-UHFFFAOYSA-N 1 2 295.427 0.951 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001207680035 812558452 /nfs/dbraw/zinc/55/84/52/812558452.db2.gz HVPRDMLNHPEEEH-LLVKDONJSA-N 1 2 296.396 0.821 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC001268484615 812663430 /nfs/dbraw/zinc/66/34/30/812663430.db2.gz IYBZYBNROQOXMP-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)OC[C@H]2CCCCO2)C1 ZINC001268491116 812683567 /nfs/dbraw/zinc/68/35/67/812683567.db2.gz DETJAPGPYHGZOA-DZGCQCFKSA-N 1 2 294.395 0.784 20 30 CCEDLO C=CCCC(=O)NC/C=C/C[NH2+][C@H](C)c1nnnn1C ZINC001268525080 812769000 /nfs/dbraw/zinc/76/90/00/812769000.db2.gz QVQCKSUBJOPGDE-XUIVZRPNSA-N 1 2 278.360 0.499 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083334139 812885800 /nfs/dbraw/zinc/88/58/00/812885800.db2.gz DECOHRDQCZZPPF-OLZOCXBDSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083334139 812885809 /nfs/dbraw/zinc/88/58/09/812885809.db2.gz DECOHRDQCZZPPF-OLZOCXBDSA-N 1 2 262.309 0.305 20 30 CCEDLO C[C@H](CN(C)CC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736610 813048888 /nfs/dbraw/zinc/04/88/88/813048888.db2.gz VDUOYCPYQBTYSB-NEPJUHHUSA-N 1 2 275.356 0.406 20 30 CCEDLO C[C@H](CN(C)CC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268736631 813051375 /nfs/dbraw/zinc/05/13/75/813051375.db2.gz VDUOYCPYQBTYSB-VXGBXAGGSA-N 1 2 275.356 0.406 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001268907855 813140655 /nfs/dbraw/zinc/14/06/55/813140655.db2.gz VEDGHVLQIZYECZ-IJLUTSLNSA-N 1 2 290.367 0.660 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001127047132 815603874 /nfs/dbraw/zinc/60/38/74/815603874.db2.gz YLOZVKNGIQNAFP-NSHDSACASA-N 1 2 294.355 0.266 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)COC ZINC001269326600 813325343 /nfs/dbraw/zinc/32/53/43/813325343.db2.gz LEYGLNPQWSGZLG-KBPBESRZSA-N 1 2 282.384 0.499 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)COC ZINC001269326600 813325350 /nfs/dbraw/zinc/32/53/50/813325350.db2.gz LEYGLNPQWSGZLG-KBPBESRZSA-N 1 2 282.384 0.499 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001269794461 813510688 /nfs/dbraw/zinc/51/06/88/813510688.db2.gz RGZCONPZXVZJRG-GFCCVEGCSA-N 1 2 297.399 0.246 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038408076 813536757 /nfs/dbraw/zinc/53/67/57/813536757.db2.gz IDYKOLDLPSCDLC-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038408076 813536762 /nfs/dbraw/zinc/53/67/62/813536762.db2.gz IDYKOLDLPSCDLC-SECBINFHSA-N 1 2 266.732 0.511 20 30 CCEDLO CO/N=C(\C(=O)N1CC2(CC[N@@H+]2C)C1)c1ccco1 ZINC001269908900 813551433 /nfs/dbraw/zinc/55/14/33/813551433.db2.gz AGUJVDQTPGTKCK-KAMYIIQDSA-N 1 2 263.297 0.547 20 30 CCEDLO CO/N=C(\C(=O)N1CC2(CC[N@H+]2C)C1)c1ccco1 ZINC001269908900 813551435 /nfs/dbraw/zinc/55/14/35/813551435.db2.gz AGUJVDQTPGTKCK-KAMYIIQDSA-N 1 2 263.297 0.547 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)[C@@H]2C1 ZINC001075792654 814036954 /nfs/dbraw/zinc/03/69/54/814036954.db2.gz NUVZCULFGFPOEW-SOUVJXGZSA-N 1 2 298.390 0.996 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)[C@@H]2C1 ZINC001075792654 814036963 /nfs/dbraw/zinc/03/69/63/814036963.db2.gz NUVZCULFGFPOEW-SOUVJXGZSA-N 1 2 298.390 0.996 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001075805053 814079021 /nfs/dbraw/zinc/07/90/21/814079021.db2.gz MBHONFNYAPTPMP-WDEREUQCSA-N 1 2 291.376 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001075805053 814079024 /nfs/dbraw/zinc/07/90/24/814079024.db2.gz MBHONFNYAPTPMP-WDEREUQCSA-N 1 2 291.376 0.931 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cncc(F)c2)C1 ZINC001271269309 814358442 /nfs/dbraw/zinc/35/84/42/814358442.db2.gz BXONTZORPBONJR-UHFFFAOYSA-N 1 2 277.299 0.021 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](OCC)C2CC2)C1 ZINC001271282472 814366798 /nfs/dbraw/zinc/36/67/98/814366798.db2.gz XNANWVSGWFDDST-ZDUSSCGKSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(CF)CCC2)C1 ZINC001271356086 814389656 /nfs/dbraw/zinc/38/96/56/814389656.db2.gz AJBISOYETVFKGU-UHFFFAOYSA-N 1 2 270.348 0.865 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(CF)cc2)C1 ZINC001271393804 814403035 /nfs/dbraw/zinc/40/30/35/814403035.db2.gz SSRNJWAGCNYVJX-UHFFFAOYSA-N 1 2 290.338 0.956 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnnc1C ZINC001038460609 814468711 /nfs/dbraw/zinc/46/87/11/814468711.db2.gz XAFKKMPOKJUWKY-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnnc1C ZINC001038460609 814468714 /nfs/dbraw/zinc/46/87/14/814468714.db2.gz XAFKKMPOKJUWKY-LBPRGKRZSA-N 1 2 258.325 0.612 20 30 CCEDLO C[C@@H](F)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001271671303 814512019 /nfs/dbraw/zinc/51/20/19/814512019.db2.gz HALCWJUMKNLAPP-LLVKDONJSA-N 1 2 290.342 0.899 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001271959799 814652489 /nfs/dbraw/zinc/65/24/89/814652489.db2.gz VBRLJKYWEUFQBI-AWEZNQCLSA-N 1 2 270.348 0.703 20 30 CCEDLO C#CCCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001271959799 814652491 /nfs/dbraw/zinc/65/24/91/814652491.db2.gz VBRLJKYWEUFQBI-AWEZNQCLSA-N 1 2 270.348 0.703 20 30 CCEDLO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059697636 814729529 /nfs/dbraw/zinc/72/95/29/814729529.db2.gz USYQHDMJZZFIKC-TXEJJXNPSA-N 1 2 296.334 0.400 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)[C@@H](O)C1 ZINC001083641341 815587378 /nfs/dbraw/zinc/58/73/78/815587378.db2.gz JDLPIPRAJKRLPZ-IXDOHACOSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)[C@@H](O)C1 ZINC001083641341 815587380 /nfs/dbraw/zinc/58/73/80/815587380.db2.gz JDLPIPRAJKRLPZ-IXDOHACOSA-N 1 2 298.386 0.975 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](CCCF)C2)c1 ZINC001030196582 815880931 /nfs/dbraw/zinc/88/09/31/815880931.db2.gz NJQJTMLCWPLRPS-UHFFFAOYSA-N 1 2 250.277 0.660 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001030380243 816004068 /nfs/dbraw/zinc/00/40/68/816004068.db2.gz YCWSFIBWRUVPON-UHFFFAOYSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001030380515 816004271 /nfs/dbraw/zinc/00/42/71/816004271.db2.gz FTLRAPGHKOFQDS-UHFFFAOYSA-N 1 2 269.308 0.395 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001030460286 816047951 /nfs/dbraw/zinc/04/79/51/816047951.db2.gz UDICSIZBUXQIPK-UHFFFAOYSA-N 1 2 297.358 0.547 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001030530632 816088635 /nfs/dbraw/zinc/08/86/35/816088635.db2.gz UGACPONNQKSWPZ-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001030637342 816174111 /nfs/dbraw/zinc/17/41/11/816174111.db2.gz VRUZVKREGHPAKI-CYBMUJFWSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978228 816199875 /nfs/dbraw/zinc/19/98/75/816199875.db2.gz GPICNOWYTUKATA-UTUOFQBUSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)[C@H]1C ZINC001088978228 816199881 /nfs/dbraw/zinc/19/98/81/816199881.db2.gz GPICNOWYTUKATA-UTUOFQBUSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978228 816199884 /nfs/dbraw/zinc/19/98/84/816199884.db2.gz GPICNOWYTUKATA-UTUOFQBUSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1C ZINC001088978228 816199888 /nfs/dbraw/zinc/19/98/88/816199888.db2.gz GPICNOWYTUKATA-UTUOFQBUSA-N 1 2 289.383 0.675 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OCC)C1 ZINC001030699137 816233152 /nfs/dbraw/zinc/23/31/52/816233152.db2.gz LBSGPFCGEJRKIH-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OCC)C1 ZINC001030699138 816233734 /nfs/dbraw/zinc/23/37/34/816233734.db2.gz LBSGPFCGEJRKIH-JSGCOSHPSA-N 1 2 282.384 0.805 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@H]2C)C1 ZINC001030729369 816254765 /nfs/dbraw/zinc/25/47/65/816254765.db2.gz RQKZPQZBIDMAMO-FZMZJTMJSA-N 1 2 250.342 0.625 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001233049065 816267652 /nfs/dbraw/zinc/26/76/52/816267652.db2.gz WNEYUBRDOTVJCL-UHFFFAOYSA-N 1 2 259.313 0.534 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001030847528 816341373 /nfs/dbraw/zinc/34/13/73/816341373.db2.gz VZQIFIJYKQBCNH-GFCCVEGCSA-N 1 2 288.395 0.902 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001083705476 816506216 /nfs/dbraw/zinc/50/62/16/816506216.db2.gz IYHVDPDWWHDQIE-OLZOCXBDSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001083705476 816506223 /nfs/dbraw/zinc/50/62/23/816506223.db2.gz IYHVDPDWWHDQIE-OLZOCXBDSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)[C@@H](O)C1 ZINC001083706487 816519231 /nfs/dbraw/zinc/51/92/31/816519231.db2.gz BQNFRQSBARZNBJ-UPJWGTAASA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)[C@@H](O)C1 ZINC001083706487 816519236 /nfs/dbraw/zinc/51/92/36/816519236.db2.gz BQNFRQSBARZNBJ-UPJWGTAASA-N 1 2 264.369 0.607 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030977575 816525870 /nfs/dbraw/zinc/52/58/70/816525870.db2.gz PFIMIOOJCMGEIS-KGLIPLIRSA-N 1 2 290.367 0.312 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001030990109 816539107 /nfs/dbraw/zinc/53/91/07/816539107.db2.gz YBCDCEZXZONSGH-UHFFFAOYSA-N 1 2 290.367 0.341 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](CC3(CC)COC3)C2)OCC1=O ZINC001272526636 816550092 /nfs/dbraw/zinc/55/00/92/816550092.db2.gz HTAILZNKWUQROH-UHFFFAOYSA-N 1 2 294.395 0.902 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046594539 816662488 /nfs/dbraw/zinc/66/24/88/816662488.db2.gz JIDIHNSTZIUWPI-CQSZACIVSA-N 1 2 276.340 0.343 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046594539 816662489 /nfs/dbraw/zinc/66/24/89/816662489.db2.gz JIDIHNSTZIUWPI-CQSZACIVSA-N 1 2 276.340 0.343 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001031152552 816708295 /nfs/dbraw/zinc/70/82/95/816708295.db2.gz OPISSHARUKFALY-UHFFFAOYSA-N 1 2 290.367 0.237 20 30 CCEDLO C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001106362974 816747968 /nfs/dbraw/zinc/74/79/68/816747968.db2.gz WCDAYOUAXQPUIP-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nonc2C)C1 ZINC001031183698 816756693 /nfs/dbraw/zinc/75/66/93/816756693.db2.gz CYBUUGVZBVPNJG-UHFFFAOYSA-N 1 2 250.302 0.297 20 30 CCEDLO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426271 816767447 /nfs/dbraw/zinc/76/74/47/816767447.db2.gz GKKYJENZJSXPJW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C)c2C(F)F)C1 ZINC001031238799 816873218 /nfs/dbraw/zinc/87/32/18/816873218.db2.gz PYULFNCNWHLFGX-UHFFFAOYSA-N 1 2 282.294 0.795 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cc[nH]c1)C2 ZINC001272644143 816920344 /nfs/dbraw/zinc/92/03/44/816920344.db2.gz HSSYXWRZISJOCB-UHFFFAOYSA-N 1 2 259.309 0.061 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNCC#N ZINC001106874798 816972245 /nfs/dbraw/zinc/97/22/45/816972245.db2.gz TUJASJYDGVGOHZ-VXGBXAGGSA-N 1 2 275.356 0.170 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001031367763 817004792 /nfs/dbraw/zinc/00/47/92/817004792.db2.gz OLCNCFNCLYPKFD-UHFFFAOYSA-N 1 2 280.372 0.154 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001031381429 817013861 /nfs/dbraw/zinc/01/38/61/817013861.db2.gz JVTBMEFIZODECB-UHFFFAOYSA-N 1 2 286.331 0.895 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001031395209 817028926 /nfs/dbraw/zinc/02/89/26/817028926.db2.gz ZBKHVFBMEGMLCD-UHFFFAOYSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001077552357 817145427 /nfs/dbraw/zinc/14/54/27/817145427.db2.gz RUWJQUVPADWGKO-RBSFLKMASA-N 1 2 299.374 0.296 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001077552357 817145433 /nfs/dbraw/zinc/14/54/33/817145433.db2.gz RUWJQUVPADWGKO-RBSFLKMASA-N 1 2 299.374 0.296 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001124631616 817529240 /nfs/dbraw/zinc/52/92/40/817529240.db2.gz MYGCIXXJTMCVTM-SNVBAGLBSA-N 1 2 282.344 0.949 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001032111376 817640172 /nfs/dbraw/zinc/64/01/72/817640172.db2.gz DZWIGUMFUVRWTM-LBPRGKRZSA-N 1 2 272.352 0.196 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001032111376 817640173 /nfs/dbraw/zinc/64/01/73/817640173.db2.gz DZWIGUMFUVRWTM-LBPRGKRZSA-N 1 2 272.352 0.196 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(C)(C)O)nn2)C1 ZINC001107166846 817799466 /nfs/dbraw/zinc/79/94/66/817799466.db2.gz DJWFKJVBHFKXPL-UHFFFAOYSA-N 1 2 293.371 0.098 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](F)CC)nn2)C1 ZINC001107193959 817803633 /nfs/dbraw/zinc/80/36/33/817803633.db2.gz LQAFUNVLKSZERJ-GFCCVEGCSA-N 1 2 281.335 0.685 20 30 CCEDLO N#Cc1cnc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001107239988 817817840 /nfs/dbraw/zinc/81/78/40/817817840.db2.gz CVWJQQKTDNBRQN-OWOJBTEDSA-N 1 2 297.322 0.329 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001107653129 817917439 /nfs/dbraw/zinc/91/74/39/817917439.db2.gz ROYLTFOKKCJSPM-RKDXNWHRSA-N 1 2 287.327 0.440 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001107715666 817961482 /nfs/dbraw/zinc/96/14/82/817961482.db2.gz RENXRCCJOUUXOE-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001107715666 817961490 /nfs/dbraw/zinc/96/14/90/817961490.db2.gz RENXRCCJOUUXOE-AWEZNQCLSA-N 1 2 292.339 0.189 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766351 817993577 /nfs/dbraw/zinc/99/35/77/817993577.db2.gz QPENQVNIQOUFBX-HIFRSBDPSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766351 817993582 /nfs/dbraw/zinc/99/35/82/817993582.db2.gz QPENQVNIQOUFBX-HIFRSBDPSA-N 1 2 282.384 0.949 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COCCC)C1 ZINC001107791416 818010813 /nfs/dbraw/zinc/01/08/13/818010813.db2.gz BJEVFAGPJAGYEP-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COCCC)C1 ZINC001107791416 818010822 /nfs/dbraw/zinc/01/08/22/818010822.db2.gz BJEVFAGPJAGYEP-OAHLLOKOSA-N 1 2 282.384 0.643 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107794127 818011172 /nfs/dbraw/zinc/01/11/72/818011172.db2.gz WZCNNEXMFAKVPK-DZGCQCFKSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCOC2)C1 ZINC001107794127 818011177 /nfs/dbraw/zinc/01/11/77/818011177.db2.gz WZCNNEXMFAKVPK-DZGCQCFKSA-N 1 2 280.368 0.253 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001078717776 818041374 /nfs/dbraw/zinc/04/13/74/818041374.db2.gz FWJQAQKFWAGWKV-WDEREUQCSA-N 1 2 276.315 0.813 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cnn(C)c1 ZINC001032824136 818070092 /nfs/dbraw/zinc/07/00/92/818070092.db2.gz QCWXDPDFUMGFAH-SNPRPXQTSA-N 1 2 286.379 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cnn(C)c1 ZINC001032824136 818070100 /nfs/dbraw/zinc/07/01/00/818070100.db2.gz QCWXDPDFUMGFAH-SNPRPXQTSA-N 1 2 286.379 0.832 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128259696 818135280 /nfs/dbraw/zinc/13/52/80/818135280.db2.gz OWGNJGZWENQUAV-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCOCC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128259696 818135287 /nfs/dbraw/zinc/13/52/87/818135287.db2.gz OWGNJGZWENQUAV-UHFFFAOYSA-N 1 2 292.383 0.926 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001050808101 818171781 /nfs/dbraw/zinc/17/17/81/818171781.db2.gz ZGJUGPCNVFVREJ-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001050808101 818171782 /nfs/dbraw/zinc/17/17/82/818171782.db2.gz ZGJUGPCNVFVREJ-QWHCGFSZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032928042 818361453 /nfs/dbraw/zinc/36/14/53/818361453.db2.gz CUXYEZYERHBFTB-VXGBXAGGSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032928042 818361461 /nfs/dbraw/zinc/36/14/61/818361461.db2.gz CUXYEZYERHBFTB-VXGBXAGGSA-N 1 2 288.775 0.687 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090073757 818463688 /nfs/dbraw/zinc/46/36/88/818463688.db2.gz QMLLQIFQVDQJSO-NEPJUHHUSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090073757 818463694 /nfs/dbraw/zinc/46/36/94/818463694.db2.gz QMLLQIFQVDQJSO-NEPJUHHUSA-N 1 2 298.774 0.187 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087665 818505122 /nfs/dbraw/zinc/50/51/22/818505122.db2.gz XTJZNIMNYSESJR-SNVBAGLBSA-N 1 2 279.365 0.931 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087665 818505131 /nfs/dbraw/zinc/50/51/31/818505131.db2.gz XTJZNIMNYSESJR-SNVBAGLBSA-N 1 2 279.365 0.931 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101412 818523130 /nfs/dbraw/zinc/52/31/30/818523130.db2.gz YGGAVLYBXAVVQS-MWLCHTKSSA-N 1 2 284.747 0.327 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC001090101412 818523133 /nfs/dbraw/zinc/52/31/33/818523133.db2.gz YGGAVLYBXAVVQS-MWLCHTKSSA-N 1 2 284.747 0.327 20 30 CCEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCN(CC#N)C1 ZINC001033212758 818655997 /nfs/dbraw/zinc/65/59/97/818655997.db2.gz WLLLZJJNHSJFRD-GXTWGEPZSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121731 818661996 /nfs/dbraw/zinc/66/19/96/818661996.db2.gz AEVXHXVUVJIUCG-MWLCHTKSSA-N 1 2 285.731 0.592 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 ZINC001090121731 818662002 /nfs/dbraw/zinc/66/20/02/818662002.db2.gz AEVXHXVUVJIUCG-MWLCHTKSSA-N 1 2 285.731 0.592 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001033248866 818675974 /nfs/dbraw/zinc/67/59/74/818675974.db2.gz PATKSYRAZWHRLY-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001033248866 818675981 /nfs/dbraw/zinc/67/59/81/818675981.db2.gz PATKSYRAZWHRLY-VXGBXAGGSA-N 1 2 286.397 0.140 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001033323171 818708954 /nfs/dbraw/zinc/70/89/54/818708954.db2.gz DFNZXSYFCIBEIO-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001033323171 818708962 /nfs/dbraw/zinc/70/89/62/818708962.db2.gz DFNZXSYFCIBEIO-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](n2ccnn2)C1 ZINC001128869209 819103250 /nfs/dbraw/zinc/10/32/50/819103250.db2.gz HQDFQUHHCKODHT-IHDARNGBSA-N 1 2 285.351 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@@H](n2ccnn2)C1 ZINC001128869209 819103252 /nfs/dbraw/zinc/10/32/52/819103252.db2.gz HQDFQUHHCKODHT-IHDARNGBSA-N 1 2 285.351 0.219 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108128511 819219287 /nfs/dbraw/zinc/21/92/87/819219287.db2.gz CGMLLRZQOAHYQW-GXTWGEPZSA-N 1 2 270.348 0.965 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108128511 819219291 /nfs/dbraw/zinc/21/92/91/819219291.db2.gz CGMLLRZQOAHYQW-GXTWGEPZSA-N 1 2 270.348 0.965 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035268166 819432778 /nfs/dbraw/zinc/43/27/78/819432778.db2.gz RKWMVWYWWFAVGK-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035268166 819432781 /nfs/dbraw/zinc/43/27/81/819432781.db2.gz RKWMVWYWWFAVGK-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297062 819442751 /nfs/dbraw/zinc/44/27/51/819442751.db2.gz UNWUHICTVMBDTP-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001035297062 819442758 /nfs/dbraw/zinc/44/27/58/819442758.db2.gz UNWUHICTVMBDTP-ZDUSSCGKSA-N 1 2 292.383 0.979 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001035275725 819443332 /nfs/dbraw/zinc/44/33/32/819443332.db2.gz JXIBHVWUTMQAPV-GFCCVEGCSA-N 1 2 282.340 0.268 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001035275725 819443339 /nfs/dbraw/zinc/44/33/39/819443339.db2.gz JXIBHVWUTMQAPV-GFCCVEGCSA-N 1 2 282.340 0.268 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035315795 819465853 /nfs/dbraw/zinc/46/58/53/819465853.db2.gz GCDDOGZGGXEQGG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC001035315795 819465857 /nfs/dbraw/zinc/46/58/57/819465857.db2.gz GCDDOGZGGXEQGG-ZDUSSCGKSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035339080 819480718 /nfs/dbraw/zinc/48/07/18/819480718.db2.gz ZVFIFDFAHJCEOG-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC001035339080 819480721 /nfs/dbraw/zinc/48/07/21/819480721.db2.gz ZVFIFDFAHJCEOG-NSHDSACASA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035353154 819494743 /nfs/dbraw/zinc/49/47/43/819494743.db2.gz AZKZLRJXNRQUTA-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035353154 819494746 /nfs/dbraw/zinc/49/47/46/819494746.db2.gz AZKZLRJXNRQUTA-LBPRGKRZSA-N 1 2 263.341 0.940 20 30 CCEDLO C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035416710 819520202 /nfs/dbraw/zinc/52/02/02/819520202.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 1 2 295.427 0.864 20 30 CCEDLO C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035416710 819520206 /nfs/dbraw/zinc/52/02/06/819520206.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 1 2 295.427 0.864 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](CC=C)CCO2)c1 ZINC001035499159 819540137 /nfs/dbraw/zinc/54/01/37/819540137.db2.gz CYUPUUHSDJVVTN-HNNXBMFYSA-N 1 2 285.347 0.680 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](CC=C)CCO2)c1 ZINC001035499159 819540141 /nfs/dbraw/zinc/54/01/41/819540141.db2.gz CYUPUUHSDJVVTN-HNNXBMFYSA-N 1 2 285.347 0.680 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533191 819556968 /nfs/dbraw/zinc/55/69/68/819556968.db2.gz MHKRQAODXOLULD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533191 819556971 /nfs/dbraw/zinc/55/69/71/819556971.db2.gz MHKRQAODXOLULD-CYBMUJFWSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035533932 819558751 /nfs/dbraw/zinc/55/87/51/819558751.db2.gz RHFYWYDMMARBPU-NEPJUHHUSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035533932 819558756 /nfs/dbraw/zinc/55/87/56/819558756.db2.gz RHFYWYDMMARBPU-NEPJUHHUSA-N 1 2 250.342 0.790 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001035547859 819562149 /nfs/dbraw/zinc/56/21/49/819562149.db2.gz OUBYAWOIDWRUIE-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001035547859 819562155 /nfs/dbraw/zinc/56/21/55/819562155.db2.gz OUBYAWOIDWRUIE-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001035548806 819562487 /nfs/dbraw/zinc/56/24/87/819562487.db2.gz BMLUZASULYHDMX-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001035548806 819562488 /nfs/dbraw/zinc/56/24/88/819562488.db2.gz BMLUZASULYHDMX-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001035548806 819562489 /nfs/dbraw/zinc/56/24/89/819562489.db2.gz BMLUZASULYHDMX-NSHDSACASA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001079519990 820419420 /nfs/dbraw/zinc/41/94/20/820419420.db2.gz MCOSRIYPGRQSLB-LDYMZIIASA-N 1 2 297.790 0.926 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001079519990 820419425 /nfs/dbraw/zinc/41/94/25/820419425.db2.gz MCOSRIYPGRQSLB-LDYMZIIASA-N 1 2 297.790 0.926 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001081508280 820779916 /nfs/dbraw/zinc/77/99/16/820779916.db2.gz JRWUMJSOVWUIJI-ZIAGYGMSSA-N 1 2 287.363 0.842 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001081508280 820779921 /nfs/dbraw/zinc/77/99/21/820779921.db2.gz JRWUMJSOVWUIJI-ZIAGYGMSSA-N 1 2 287.363 0.842 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](OC)C1 ZINC001081538095 820786658 /nfs/dbraw/zinc/78/66/58/820786658.db2.gz LAINKVGPPAYTBZ-TZMCWYRMSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](OC)C1 ZINC001081538095 820786660 /nfs/dbraw/zinc/78/66/60/820786660.db2.gz LAINKVGPPAYTBZ-TZMCWYRMSA-N 1 2 276.336 0.959 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001081754183 820831812 /nfs/dbraw/zinc/83/18/12/820831812.db2.gz RZFSVVJTHBZSKI-TZMCWYRMSA-N 1 2 287.319 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001081754183 820831818 /nfs/dbraw/zinc/83/18/18/820831818.db2.gz RZFSVVJTHBZSKI-TZMCWYRMSA-N 1 2 287.319 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H](OC)C1 ZINC001081821353 820849949 /nfs/dbraw/zinc/84/99/49/820849949.db2.gz YXDCTWKQBDBULC-ZIAGYGMSSA-N 1 2 298.346 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H](OC)C1 ZINC001081821353 820849960 /nfs/dbraw/zinc/84/99/60/820849960.db2.gz YXDCTWKQBDBULC-ZIAGYGMSSA-N 1 2 298.346 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H](OC)C1 ZINC001081971696 820872538 /nfs/dbraw/zinc/87/25/38/820872538.db2.gz QLQFRVVDQVBFBA-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H](OC)C1 ZINC001081971696 820872545 /nfs/dbraw/zinc/87/25/45/820872545.db2.gz QLQFRVVDQVBFBA-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@H](OC)C1 ZINC001082144040 820908986 /nfs/dbraw/zinc/90/89/86/820908986.db2.gz NKNGTHDFTSSCIM-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@H](OC)C1 ZINC001082144040 820908989 /nfs/dbraw/zinc/90/89/89/820908989.db2.gz NKNGTHDFTSSCIM-VXGBXAGGSA-N 1 2 276.340 0.089 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@H](OC)C1 ZINC001082288992 820932473 /nfs/dbraw/zinc/93/24/73/820932473.db2.gz JTRYWDKWCNWNQB-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@H](OC)C1 ZINC001082288992 820932479 /nfs/dbraw/zinc/93/24/79/820932479.db2.gz JTRYWDKWCNWNQB-ZIAGYGMSSA-N 1 2 291.351 0.689 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@H](OC)C1 ZINC001082329213 820937016 /nfs/dbraw/zinc/93/70/16/820937016.db2.gz HDLLBQNOCFVOBZ-TZMCWYRMSA-N 1 2 290.367 0.355 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@H](OC)C1 ZINC001082329213 820937021 /nfs/dbraw/zinc/93/70/21/820937021.db2.gz HDLLBQNOCFVOBZ-TZMCWYRMSA-N 1 2 290.367 0.355 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@H](OC)C1 ZINC001082376027 820952093 /nfs/dbraw/zinc/95/20/93/820952093.db2.gz YTZKBRUUPKYUDD-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@H](OC)C1 ZINC001082376027 820952099 /nfs/dbraw/zinc/95/20/99/820952099.db2.gz YTZKBRUUPKYUDD-ZIAGYGMSSA-N 1 2 288.351 0.237 20 30 CCEDLO N#Cc1c[nH]c2nc(N3CC[NH2+]C[C@H]3C#N)ccc12 ZINC001164652921 821002182 /nfs/dbraw/zinc/00/21/82/821002182.db2.gz VHMFIUCOLHQEAF-SNVBAGLBSA-N 1 2 252.281 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC001082978676 821084215 /nfs/dbraw/zinc/08/42/15/821084215.db2.gz SUEQQBYHDCOMAH-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC001082978676 821084220 /nfs/dbraw/zinc/08/42/20/821084220.db2.gz SUEQQBYHDCOMAH-UONOGXRCSA-N 1 2 271.320 0.240 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C)n3)[C@H]2C1 ZINC001083023435 821113191 /nfs/dbraw/zinc/11/31/91/821113191.db2.gz BWGQKQWYMHHFLI-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C)n3)[C@H]2C1 ZINC001083023435 821113196 /nfs/dbraw/zinc/11/31/96/821113196.db2.gz BWGQKQWYMHHFLI-UONOGXRCSA-N 1 2 288.351 0.267 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnccc3C)[C@H]2C1 ZINC001083034631 821121981 /nfs/dbraw/zinc/12/19/81/821121981.db2.gz KJEHWCIAYHTMKM-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnccc3C)[C@H]2C1 ZINC001083034631 821121989 /nfs/dbraw/zinc/12/19/89/821121989.db2.gz KJEHWCIAYHTMKM-JKSUJKDBSA-N 1 2 299.374 0.939 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ocnc3C)[C@H]2C1 ZINC001083038091 821122841 /nfs/dbraw/zinc/12/28/41/821122841.db2.gz SAMYOJDIGIBGRQ-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ocnc3C)[C@H]2C1 ZINC001083038091 821122852 /nfs/dbraw/zinc/12/28/52/821122852.db2.gz SAMYOJDIGIBGRQ-NWDGAFQWSA-N 1 2 277.324 0.694 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ocnc3C)[C@H]2C1 ZINC001083037953 821123942 /nfs/dbraw/zinc/12/39/42/821123942.db2.gz LWFQHLRBEGYTEU-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ocnc3C)[C@H]2C1 ZINC001083037953 821123948 /nfs/dbraw/zinc/12/39/48/821123948.db2.gz LWFQHLRBEGYTEU-QWHCGFSZSA-N 1 2 289.335 0.532 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CC3)[C@H]2C1 ZINC001083038229 821124146 /nfs/dbraw/zinc/12/41/46/821124146.db2.gz YEFSLMKTNHWUMK-KWCYVHTRSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CC3)[C@H]2C1 ZINC001083038229 821124148 /nfs/dbraw/zinc/12/41/48/821124148.db2.gz YEFSLMKTNHWUMK-KWCYVHTRSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(F)c3)[C@H]2C1 ZINC001083047041 821125863 /nfs/dbraw/zinc/12/58/63/821125863.db2.gz FYWFCJIEQLZHIN-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(F)c3)[C@H]2C1 ZINC001083047041 821125866 /nfs/dbraw/zinc/12/58/66/821125866.db2.gz FYWFCJIEQLZHIN-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(O)CC3)[C@H]2C1 ZINC001083065997 821133761 /nfs/dbraw/zinc/13/37/61/821133761.db2.gz DOVNEMARTLPWJY-PFSRBDOWSA-N 1 2 292.379 0.082 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(O)CC3)[C@H]2C1 ZINC001083065997 821133765 /nfs/dbraw/zinc/13/37/65/821133765.db2.gz DOVNEMARTLPWJY-PFSRBDOWSA-N 1 2 292.379 0.082 20 30 CCEDLO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccns3)[C@H]2C1 ZINC001083097259 821139493 /nfs/dbraw/zinc/13/94/93/821139493.db2.gz WXQBECLANSWEHL-NWDGAFQWSA-N 1 2 291.376 0.692 20 30 CCEDLO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccns3)[C@H]2C1 ZINC001083097259 821139498 /nfs/dbraw/zinc/13/94/98/821139498.db2.gz WXQBECLANSWEHL-NWDGAFQWSA-N 1 2 291.376 0.692 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001084038617 821180493 /nfs/dbraw/zinc/18/04/93/821180493.db2.gz RUFFSNZTGKYSBJ-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001084038617 821180498 /nfs/dbraw/zinc/18/04/98/821180498.db2.gz RUFFSNZTGKYSBJ-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001084082172 821185026 /nfs/dbraw/zinc/18/50/26/821185026.db2.gz BTLLDKSHDQLVCV-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001084082172 821185032 /nfs/dbraw/zinc/18/50/32/821185032.db2.gz BTLLDKSHDQLVCV-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001084100972 821200414 /nfs/dbraw/zinc/20/04/14/821200414.db2.gz ZBCSSMGNRCYDOM-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001084100972 821200422 /nfs/dbraw/zinc/20/04/22/821200422.db2.gz ZBCSSMGNRCYDOM-KGLIPLIRSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OCC)no3)[C@@H]2C1 ZINC001084524580 821306474 /nfs/dbraw/zinc/30/64/74/821306474.db2.gz AGHBYUPTZXPCJJ-VXGBXAGGSA-N 1 2 289.335 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OCC)no3)[C@@H]2C1 ZINC001084524580 821306484 /nfs/dbraw/zinc/30/64/84/821306484.db2.gz AGHBYUPTZXPCJJ-VXGBXAGGSA-N 1 2 289.335 0.853 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2nccnc2N)C1=O ZINC001273275696 821546008 /nfs/dbraw/zinc/54/60/08/821546008.db2.gz UGHIMJDBEWPZJT-HNNXBMFYSA-N 1 2 285.351 0.259 20 30 CCEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2nccnc2N)C1=O ZINC001273275696 821546014 /nfs/dbraw/zinc/54/60/14/821546014.db2.gz UGHIMJDBEWPZJT-HNNXBMFYSA-N 1 2 285.351 0.259 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](COC)OC)C1 ZINC001108195900 821557556 /nfs/dbraw/zinc/55/75/56/821557556.db2.gz NHMHBPAAFNGQAF-TZMCWYRMSA-N 1 2 286.372 0.041 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](COC)OC)C1 ZINC001108195900 821557562 /nfs/dbraw/zinc/55/75/62/821557562.db2.gz NHMHBPAAFNGQAF-TZMCWYRMSA-N 1 2 286.372 0.041 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520703 821766664 /nfs/dbraw/zinc/76/66/64/821766664.db2.gz VUCVPOKEAUZVCL-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520703 821766668 /nfs/dbraw/zinc/76/66/68/821766668.db2.gz VUCVPOKEAUZVCL-LBPRGKRZSA-N 1 2 260.341 0.888 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085574099 821823355 /nfs/dbraw/zinc/82/33/55/821823355.db2.gz NQAUUXBPNLAEII-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001085574099 821823365 /nfs/dbraw/zinc/82/33/65/821823365.db2.gz NQAUUXBPNLAEII-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085613839 821850438 /nfs/dbraw/zinc/85/04/38/821850438.db2.gz ZMJUMTCELYEGFB-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085613839 821850450 /nfs/dbraw/zinc/85/04/50/821850450.db2.gz ZMJUMTCELYEGFB-NSHDSACASA-N 1 2 283.335 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001085680158 821895412 /nfs/dbraw/zinc/89/54/12/821895412.db2.gz ACRHYBXMAFXTNF-HIFRSBDPSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001085680158 821895422 /nfs/dbraw/zinc/89/54/22/821895422.db2.gz ACRHYBXMAFXTNF-HIFRSBDPSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCF)c1 ZINC001085685248 821900764 /nfs/dbraw/zinc/90/07/64/821900764.db2.gz MUOIGPUSOQZCRZ-ZDUSSCGKSA-N 1 2 278.331 0.632 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCF)c1 ZINC001085685248 821900767 /nfs/dbraw/zinc/90/07/67/821900767.db2.gz MUOIGPUSOQZCRZ-ZDUSSCGKSA-N 1 2 278.331 0.632 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710014 821911593 /nfs/dbraw/zinc/91/15/93/821911593.db2.gz WBLCHLDMJACUNL-ZDUSSCGKSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710014 821911600 /nfs/dbraw/zinc/91/16/00/821911600.db2.gz WBLCHLDMJACUNL-ZDUSSCGKSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#CC)nn1 ZINC001085861126 821985225 /nfs/dbraw/zinc/98/52/25/821985225.db2.gz QEKRQZZEKACPDV-CYBMUJFWSA-N 1 2 287.367 0.634 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#CC)nn1 ZINC001085861126 821985233 /nfs/dbraw/zinc/98/52/33/821985233.db2.gz QEKRQZZEKACPDV-CYBMUJFWSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085897655 822007788 /nfs/dbraw/zinc/00/77/88/822007788.db2.gz JZKJUPXMPMFLKZ-GFCCVEGCSA-N 1 2 275.356 0.639 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085897655 822007798 /nfs/dbraw/zinc/00/77/98/822007798.db2.gz JZKJUPXMPMFLKZ-GFCCVEGCSA-N 1 2 275.356 0.639 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929512 822019997 /nfs/dbraw/zinc/01/99/97/822019997.db2.gz YFZUBGCCZIQPQF-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929512 822020004 /nfs/dbraw/zinc/02/00/04/822020004.db2.gz YFZUBGCCZIQPQF-GFCCVEGCSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929513 822020815 /nfs/dbraw/zinc/02/08/15/822020815.db2.gz YFZUBGCCZIQPQF-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929513 822020821 /nfs/dbraw/zinc/02/08/21/822020821.db2.gz YFZUBGCCZIQPQF-LBPRGKRZSA-N 1 2 260.341 0.683 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001085944759 822030088 /nfs/dbraw/zinc/03/00/88/822030088.db2.gz QUFQGLSNVRSGEF-NSHDSACASA-N 1 2 271.324 0.442 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001085944759 822030098 /nfs/dbraw/zinc/03/00/98/822030098.db2.gz QUFQGLSNVRSGEF-NSHDSACASA-N 1 2 271.324 0.442 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC001085980790 822048729 /nfs/dbraw/zinc/04/87/29/822048729.db2.gz XZGSUKKTWBRGMR-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC001085980790 822048738 /nfs/dbraw/zinc/04/87/38/822048738.db2.gz XZGSUKKTWBRGMR-HNNXBMFYSA-N 1 2 299.374 0.826 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114237273 837481982 /nfs/dbraw/zinc/48/19/82/837481982.db2.gz JERDFGXHDNCYOY-VIKVFOODSA-N 1 2 284.363 0.682 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114237273 837481985 /nfs/dbraw/zinc/48/19/85/837481985.db2.gz JERDFGXHDNCYOY-VIKVFOODSA-N 1 2 284.363 0.682 20 30 CCEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001108430163 836076332 /nfs/dbraw/zinc/07/63/32/836076332.db2.gz XCIDQLHHOPCGKG-OAHLLOKOSA-N 1 2 282.384 0.972 20 30 CCEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108430163 836076342 /nfs/dbraw/zinc/07/63/42/836076342.db2.gz XCIDQLHHOPCGKG-OAHLLOKOSA-N 1 2 282.384 0.972 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)C[NH2+]1 ZINC001169131233 836146741 /nfs/dbraw/zinc/14/67/41/836146741.db2.gz VSOUNBKQHAXYLH-MNOVXSKESA-N 1 2 260.297 0.463 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)CO1 ZINC001169401972 836250333 /nfs/dbraw/zinc/25/03/33/836250333.db2.gz AQOMWEDOLVFABZ-WOPDTQHZSA-N 1 2 252.314 0.943 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H](C#N)C2)CO1 ZINC001169401972 836250346 /nfs/dbraw/zinc/25/03/46/836250346.db2.gz AQOMWEDOLVFABZ-WOPDTQHZSA-N 1 2 252.314 0.943 20 30 CCEDLO Cc1cc(NC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001108486029 836286778 /nfs/dbraw/zinc/28/67/78/836286778.db2.gz ZCEAYIVGJAZUPD-NSHDSACASA-N 1 2 298.350 0.566 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CC)CC2=O)C1 ZINC001108505934 836346474 /nfs/dbraw/zinc/34/64/74/836346474.db2.gz HRPJUMOTGWJMLG-NEPJUHHUSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C=C(C)C)CC2=O)C1 ZINC001108504141 836366298 /nfs/dbraw/zinc/36/62/98/836366298.db2.gz QGRFWUABBHEHKI-CYBMUJFWSA-N 1 2 291.395 0.930 20 30 CCEDLO COc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1CC#N ZINC001169653536 836409444 /nfs/dbraw/zinc/40/94/44/836409444.db2.gz OIQPWYUHYGZATF-LLVKDONJSA-N 1 2 276.340 0.899 20 30 CCEDLO COc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1CC#N ZINC001169653536 836409449 /nfs/dbraw/zinc/40/94/49/836409449.db2.gz OIQPWYUHYGZATF-LLVKDONJSA-N 1 2 276.340 0.899 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C#CC(C)C)CC2=O)C1 ZINC001108542591 836434062 /nfs/dbraw/zinc/43/40/62/836434062.db2.gz IYLQMCHKYDSQOB-CYBMUJFWSA-N 1 2 289.379 0.233 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)C(C)C)CC2=O)C1 ZINC001108574828 836468656 /nfs/dbraw/zinc/46/86/56/836468656.db2.gz CADAMJOLDYFREX-QWHCGFSZSA-N 1 2 293.411 0.866 20 30 CCEDLO C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001109014551 836599094 /nfs/dbraw/zinc/59/90/94/836599094.db2.gz KOZRDDHLAUDYBS-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001109080550 836612347 /nfs/dbraw/zinc/61/23/47/836612347.db2.gz XMTPCPSPDKMMBL-XCCSTKFXSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001109080550 836612349 /nfs/dbraw/zinc/61/23/49/836612349.db2.gz XMTPCPSPDKMMBL-XCCSTKFXSA-N 1 2 287.367 0.801 20 30 CCEDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109080506 836612649 /nfs/dbraw/zinc/61/26/49/836612649.db2.gz WHXCHVCQPHRXMR-USZNOCQGSA-N 1 2 278.356 0.004 20 30 CCEDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109080506 836612652 /nfs/dbraw/zinc/61/26/52/836612652.db2.gz WHXCHVCQPHRXMR-USZNOCQGSA-N 1 2 278.356 0.004 20 30 CCEDLO Cn1c[nH+]cc1CN1CCN(C(=O)CSCC#N)CC1 ZINC001112628951 836832925 /nfs/dbraw/zinc/83/29/25/836832925.db2.gz HWZDEAPPIPLDFS-UHFFFAOYSA-N 1 2 293.396 0.321 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001112654339 836843867 /nfs/dbraw/zinc/84/38/67/836843867.db2.gz TVTLFKVKKJGMBM-GFCCVEGCSA-N 1 2 256.346 0.368 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCn2ccccc2=O)CC1 ZINC001113194571 837049527 /nfs/dbraw/zinc/04/95/27/837049527.db2.gz ZWIZXODJAFODCX-UHFFFAOYSA-N 1 2 289.379 0.959 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)Cc2nonc2C)CC1 ZINC001113481201 837130449 /nfs/dbraw/zinc/13/04/49/837130449.db2.gz RBACDFBVUNYKGS-UHFFFAOYSA-N 1 2 294.355 0.267 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC001113522724 837150660 /nfs/dbraw/zinc/15/06/60/837150660.db2.gz IPWMNPUXLYVQGF-UHFFFAOYSA-N 1 2 294.395 0.740 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC001113672497 837194380 /nfs/dbraw/zinc/19/43/80/837194380.db2.gz XBAJSTBBLPZCGZ-UHFFFAOYSA-N 1 2 288.351 0.142 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001113702147 837200858 /nfs/dbraw/zinc/20/08/58/837200858.db2.gz WOIXDJWFLYYCKC-OAHLLOKOSA-N 1 2 281.400 0.867 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCOCCOC)CC1 ZINC001113718825 837203688 /nfs/dbraw/zinc/20/36/88/837203688.db2.gz LFCZFDUXHTYYFU-UHFFFAOYSA-N 1 2 268.357 0.207 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2cnon2)cc1 ZINC001132222859 838339419 /nfs/dbraw/zinc/33/94/19/838339419.db2.gz MWOJTGCMUNAUTI-UHFFFAOYSA-N 1 2 270.292 0.571 20 30 CCEDLO C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CN1CC#N ZINC001132221508 838340504 /nfs/dbraw/zinc/34/05/04/838340504.db2.gz JGBXOWKXDWEXOJ-STQMWFEESA-N 1 2 275.356 0.766 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1CNCC#N ZINC001185206423 844362751 /nfs/dbraw/zinc/36/27/51/844362751.db2.gz SYTKJIJTHCXTNZ-NWDGAFQWSA-N 1 2 275.356 0.550 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001196260591 846713694 /nfs/dbraw/zinc/71/36/94/846713694.db2.gz SRQTUKBRNCHIEG-OPRDCNLKSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001196260591 846713704 /nfs/dbraw/zinc/71/37/04/846713704.db2.gz SRQTUKBRNCHIEG-OPRDCNLKSA-N 1 2 260.284 0.072 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1CNCC#N ZINC001185379606 844406402 /nfs/dbraw/zinc/40/64/02/844406402.db2.gz DQRNARDVRJTRPG-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1CNCC#N ZINC001185379601 844406911 /nfs/dbraw/zinc/40/69/11/844406911.db2.gz DQRNARDVRJTRPG-NEPJUHHUSA-N 1 2 275.356 0.550 20 30 CCEDLO C[C@H](C[C@@H](C)NC(=O)CCn1cc[nH+]c1)NCC#N ZINC001135131327 839166900 /nfs/dbraw/zinc/16/69/00/839166900.db2.gz GFENAEIYISDBRO-VXGBXAGGSA-N 1 2 263.345 0.670 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090671157 839724624 /nfs/dbraw/zinc/72/46/24/839724624.db2.gz GUNIKKSMZHYTHA-MNOVXSKESA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090671157 839724637 /nfs/dbraw/zinc/72/46/37/839724637.db2.gz GUNIKKSMZHYTHA-MNOVXSKESA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823320 839839583 /nfs/dbraw/zinc/83/95/83/839839583.db2.gz IZAWKSOMXQQRFH-OLZOCXBDSA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823320 839839587 /nfs/dbraw/zinc/83/95/87/839839587.db2.gz IZAWKSOMXQQRFH-OLZOCXBDSA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823323 839840654 /nfs/dbraw/zinc/84/06/54/839840654.db2.gz IZAWKSOMXQQRFH-STQMWFEESA-N 1 2 297.786 0.861 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 ZINC001090823323 839840658 /nfs/dbraw/zinc/84/06/58/839840658.db2.gz IZAWKSOMXQQRFH-STQMWFEESA-N 1 2 297.786 0.861 20 30 CCEDLO C[N@H+](C1COC1)C1CN(Cc2cncc(C#N)c2)C1 ZINC001144079139 839929501 /nfs/dbraw/zinc/92/95/01/839929501.db2.gz CBEIPDZICLDBIR-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+](C1COC1)C1CN(Cc2cncc(C#N)c2)C1 ZINC001144079139 839929511 /nfs/dbraw/zinc/92/95/11/839929511.db2.gz CBEIPDZICLDBIR-UHFFFAOYSA-N 1 2 258.325 0.468 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)no2)cn1 ZINC001148376541 840796305 /nfs/dbraw/zinc/79/63/05/840796305.db2.gz JXIKBZZKCDXFHO-UHFFFAOYSA-N 1 2 285.307 0.274 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CCN2CC#N)C1 ZINC001036866374 841439501 /nfs/dbraw/zinc/43/95/01/841439501.db2.gz DLAFNVQMIXJPOW-TZMCWYRMSA-N 1 2 287.367 0.409 20 30 CCEDLO Cc1nc(NCCNC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001093701876 841440808 /nfs/dbraw/zinc/44/08/08/841440808.db2.gz IXHGHTVDFPOBIB-UHFFFAOYSA-N 1 2 284.323 0.687 20 30 CCEDLO Cc1cc(NCCNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001094150380 841549427 /nfs/dbraw/zinc/54/94/27/841549427.db2.gz CLCJRXRNLHNOIP-UHFFFAOYSA-N 1 2 284.323 0.178 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC3CCC3)CC2=O)C1 ZINC001094718171 841698146 /nfs/dbraw/zinc/69/81/46/841698146.db2.gz XIEKUMJWTREEDE-ZDUSSCGKSA-N 1 2 291.395 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CC)CC2=O)C1 ZINC001094683882 841700543 /nfs/dbraw/zinc/70/05/43/841700543.db2.gz LXILXVFCEXDUES-LLVKDONJSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3=CCCC3)CC2=O)C1 ZINC001094720732 841700652 /nfs/dbraw/zinc/70/06/52/841700652.db2.gz PQVQZFBREQQMDT-CYBMUJFWSA-N 1 2 289.379 0.684 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 ZINC001094770587 841720225 /nfs/dbraw/zinc/72/02/25/841720225.db2.gz APUUYOQESNHRNR-LOWVWBTDSA-N 1 2 277.368 0.230 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC34CC4)CC2=O)C1 ZINC001094791954 841722300 /nfs/dbraw/zinc/72/23/00/841722300.db2.gz IVRGYHYDTOTLSO-WCQYABFASA-N 1 2 289.379 0.374 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172229255 841898817 /nfs/dbraw/zinc/89/88/17/841898817.db2.gz UGDWAGSZWLAUEZ-GYIHNLGQSA-N 1 2 257.355 0.924 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150078210 841955769 /nfs/dbraw/zinc/95/57/69/841955769.db2.gz IFERJMHHKWNREZ-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150078210 841955775 /nfs/dbraw/zinc/95/57/75/841955775.db2.gz IFERJMHHKWNREZ-LBPRGKRZSA-N 1 2 297.399 0.281 20 30 CCEDLO N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095068088 842018519 /nfs/dbraw/zinc/01/85/19/842018519.db2.gz VDACZCSJOSUVDH-AVGNSLFASA-N 1 2 273.340 0.376 20 30 CCEDLO N#CCC1CCC([NH2+]Cc2noc(C(N)=O)n2)CC1 ZINC001173330154 842043914 /nfs/dbraw/zinc/04/39/14/842043914.db2.gz WPMINKGECJPSBX-UHFFFAOYSA-N 1 2 263.301 0.731 20 30 CCEDLO N#Cc1cncc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001110207337 842574961 /nfs/dbraw/zinc/57/49/61/842574961.db2.gz WRSZPFLWSRCTGX-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO CN(CC(=O)N1CCO[C@H](C#N)C1)c1cccc[nH+]1 ZINC001177412572 842584706 /nfs/dbraw/zinc/58/47/06/842584706.db2.gz RUHYACXCJOTFKG-LLVKDONJSA-N 1 2 260.297 0.269 20 30 CCEDLO N#Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001178100268 842755173 /nfs/dbraw/zinc/75/51/73/842755173.db2.gz KMONRVPVWDTGFK-SECBINFHSA-N 1 2 268.280 0.746 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119800 842762739 /nfs/dbraw/zinc/76/27/39/842762739.db2.gz WNZXPDRWXFFBBX-NXEZZACHSA-N 1 2 276.296 0.017 20 30 CCEDLO C[NH+]1CC(NC(=O)C#Cc2ccc(F)cc2F)C1 ZINC001178574267 842884469 /nfs/dbraw/zinc/88/44/69/842884469.db2.gz VFVHDCOOLNLYRP-UHFFFAOYSA-N 1 2 250.248 0.747 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001110222537 842890248 /nfs/dbraw/zinc/89/02/48/842890248.db2.gz SOZRIYZKGZHGIY-UPJWGTAASA-N 1 2 277.368 0.420 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001110222537 842890254 /nfs/dbraw/zinc/89/02/54/842890254.db2.gz SOZRIYZKGZHGIY-UPJWGTAASA-N 1 2 277.368 0.420 20 30 CCEDLO CC#CC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001179751572 843046107 /nfs/dbraw/zinc/04/61/07/843046107.db2.gz HDDBIJYUCULSKP-UHFFFAOYSA-N 1 2 289.383 0.874 20 30 CCEDLO CC#CC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001179751572 843046119 /nfs/dbraw/zinc/04/61/19/843046119.db2.gz HDDBIJYUCULSKP-UHFFFAOYSA-N 1 2 289.383 0.874 20 30 CCEDLO C#CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001180762486 843292113 /nfs/dbraw/zinc/29/21/13/843292113.db2.gz MSHKTJLWENZMPW-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001180762486 843292124 /nfs/dbraw/zinc/29/21/24/843292124.db2.gz MSHKTJLWENZMPW-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO COc1ccc(C#CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001182049199 843697822 /nfs/dbraw/zinc/69/78/22/843697822.db2.gz AUBARRFBEHTSNR-CQSZACIVSA-N 1 2 299.330 0.490 20 30 CCEDLO COc1ccc(C#CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001182049199 843697829 /nfs/dbraw/zinc/69/78/29/843697829.db2.gz AUBARRFBEHTSNR-CQSZACIVSA-N 1 2 299.330 0.490 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110286178 843786632 /nfs/dbraw/zinc/78/66/32/843786632.db2.gz SNIVUVMDCFSOKT-UPJWGTAASA-N 1 2 277.368 0.113 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110286178 843786641 /nfs/dbraw/zinc/78/66/41/843786641.db2.gz SNIVUVMDCFSOKT-UPJWGTAASA-N 1 2 277.368 0.113 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC)C2 ZINC001110292803 843819983 /nfs/dbraw/zinc/81/99/83/843819983.db2.gz QSFXSJLLSHQYMA-MCIONIFRSA-N 1 2 291.395 0.648 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC)C2 ZINC001110292803 843819996 /nfs/dbraw/zinc/81/99/96/843819996.db2.gz QSFXSJLLSHQYMA-MCIONIFRSA-N 1 2 291.395 0.648 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC001182458768 843833998 /nfs/dbraw/zinc/83/39/98/843833998.db2.gz VMVXNRNTLLNNFK-CQSZACIVSA-N 1 2 291.395 0.575 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@]1(C)CNCC#N ZINC001183165292 843977601 /nfs/dbraw/zinc/97/76/01/843977601.db2.gz VQORXNZSTIDUTD-IUODEOHRSA-N 1 2 289.383 0.560 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001190990580 845560131 /nfs/dbraw/zinc/56/01/31/845560131.db2.gz ZXBCGDCTHOYBLK-VXGBXAGGSA-N 1 2 254.330 0.093 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001190990580 845560141 /nfs/dbraw/zinc/56/01/41/845560141.db2.gz ZXBCGDCTHOYBLK-VXGBXAGGSA-N 1 2 254.330 0.093 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001193186369 846029325 /nfs/dbraw/zinc/02/93/25/846029325.db2.gz VIMNTCHHUJNYEC-VIFPVBQESA-N 1 2 268.342 0.940 20 30 CCEDLO CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001273654952 846034718 /nfs/dbraw/zinc/03/47/18/846034718.db2.gz JMPFZZYINAHQAH-QWHCGFSZSA-N 1 2 295.383 0.532 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001193645968 846137794 /nfs/dbraw/zinc/13/77/94/846137794.db2.gz DGNNCFQXFNWKHV-CHWSQXEVSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001193645968 846137796 /nfs/dbraw/zinc/13/77/96/846137796.db2.gz DGNNCFQXFNWKHV-CHWSQXEVSA-N 1 2 264.369 0.607 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001194137805 846232823 /nfs/dbraw/zinc/23/28/23/846232823.db2.gz ZTWIUQYRTIJKHX-MGPQQGTHSA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001194137805 846232835 /nfs/dbraw/zinc/23/28/35/846232835.db2.gz ZTWIUQYRTIJKHX-MGPQQGTHSA-N 1 2 296.411 0.480 20 30 CCEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCOCC1 ZINC001194369118 846277452 /nfs/dbraw/zinc/27/74/52/846277452.db2.gz JAUOHCRYIUSWKW-LLVKDONJSA-N 1 2 257.330 0.625 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001273685750 846395897 /nfs/dbraw/zinc/39/58/97/846395897.db2.gz MBOOAZFHAZUYCP-LBPRGKRZSA-N 1 2 286.347 0.508 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)OC)CC1 ZINC001195045133 846445534 /nfs/dbraw/zinc/44/55/34/846445534.db2.gz VMPWAQYGDHBPLM-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)OC)CC1 ZINC001195045133 846445539 /nfs/dbraw/zinc/44/55/39/846445539.db2.gz VMPWAQYGDHBPLM-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195683288 846597906 /nfs/dbraw/zinc/59/79/06/846597906.db2.gz YNJAFZWTSATKHK-CYBMUJFWSA-N 1 2 258.337 0.817 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195683288 846597913 /nfs/dbraw/zinc/59/79/13/846597913.db2.gz YNJAFZWTSATKHK-CYBMUJFWSA-N 1 2 258.337 0.817 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001195732861 846603800 /nfs/dbraw/zinc/60/38/00/846603800.db2.gz NBYTZYVZCKKCQC-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001195732861 846603807 /nfs/dbraw/zinc/60/38/07/846603807.db2.gz NBYTZYVZCKKCQC-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001195754141 846609947 /nfs/dbraw/zinc/60/99/47/846609947.db2.gz ZBZRPZVPCHVLMP-VXGBXAGGSA-N 1 2 252.358 0.607 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195754495 846609925 /nfs/dbraw/zinc/60/99/25/846609925.db2.gz OWWPRKDPNSYUKL-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC001195754495 846609931 /nfs/dbraw/zinc/60/99/31/846609931.db2.gz OWWPRKDPNSYUKL-UHFFFAOYSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001195754141 846609943 /nfs/dbraw/zinc/60/99/43/846609943.db2.gz ZBZRPZVPCHVLMP-VXGBXAGGSA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309118 846620717 /nfs/dbraw/zinc/62/07/17/846620717.db2.gz QVVZRGQYCYFLRV-KDXUFGMBSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309118 846620725 /nfs/dbraw/zinc/62/07/25/846620725.db2.gz QVVZRGQYCYFLRV-KDXUFGMBSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309118 846620729 /nfs/dbraw/zinc/62/07/29/846620729.db2.gz QVVZRGQYCYFLRV-KDXUFGMBSA-N 1 2 264.222 0.566 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309118 846620738 /nfs/dbraw/zinc/62/07/38/846620738.db2.gz QVVZRGQYCYFLRV-KDXUFGMBSA-N 1 2 264.222 0.566 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309499 846638167 /nfs/dbraw/zinc/63/81/67/846638167.db2.gz XHLCZEHKWSQSQN-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309499 846638172 /nfs/dbraw/zinc/63/81/72/846638172.db2.gz XHLCZEHKWSQSQN-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309499 846638175 /nfs/dbraw/zinc/63/81/75/846638175.db2.gz XHLCZEHKWSQSQN-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309499 846638178 /nfs/dbraw/zinc/63/81/78/846638178.db2.gz XHLCZEHKWSQSQN-XFWSIPNHSA-N 1 2 278.249 0.957 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001196063111 846674346 /nfs/dbraw/zinc/67/43/46/846674346.db2.gz ZKZLDYVHUZXNAZ-RKDXNWHRSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001196063111 846674351 /nfs/dbraw/zinc/67/43/51/846674351.db2.gz ZKZLDYVHUZXNAZ-RKDXNWHRSA-N 1 2 260.284 0.072 20 30 CCEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001273712756 846680175 /nfs/dbraw/zinc/68/01/75/846680175.db2.gz ICBWIWIGHXOGSP-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001273713496 846686560 /nfs/dbraw/zinc/68/65/60/846686560.db2.gz RSGJKLATZIOZRU-RYUDHWBXSA-N 1 2 282.384 0.539 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001196644983 846780704 /nfs/dbraw/zinc/78/07/04/846780704.db2.gz LKPHQJJMLHUSJN-BPLDGKMQSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001196644983 846780710 /nfs/dbraw/zinc/78/07/10/846780710.db2.gz LKPHQJJMLHUSJN-BPLDGKMQSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001197244365 846886474 /nfs/dbraw/zinc/88/64/74/846886474.db2.gz RNBPCOVQANUUJN-YNEHKIRRSA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001197244365 846886469 /nfs/dbraw/zinc/88/64/69/846886469.db2.gz RNBPCOVQANUUJN-YNEHKIRRSA-N 1 2 252.358 0.463 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2nonc2C)CC1 ZINC001198368551 847096208 /nfs/dbraw/zinc/09/62/08/847096208.db2.gz ZXWVOQFDVOCXLY-UHFFFAOYSA-N 1 2 292.339 0.176 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2nonc2C)CC1 ZINC001198368551 847096220 /nfs/dbraw/zinc/09/62/20/847096220.db2.gz ZXWVOQFDVOCXLY-UHFFFAOYSA-N 1 2 292.339 0.176 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC001199271009 847281272 /nfs/dbraw/zinc/28/12/72/847281272.db2.gz PODMAXBXFPPLSA-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC001199271009 847281278 /nfs/dbraw/zinc/28/12/78/847281278.db2.gz PODMAXBXFPPLSA-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CC[NH+]1CCN(C(=S)NCCC(=O)OC)CC1 ZINC001199986238 847497999 /nfs/dbraw/zinc/49/79/99/847497999.db2.gz CVWJKLLEJOWVFA-UHFFFAOYSA-N 1 2 271.386 0.228 20 30 CCEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001273822184 847592856 /nfs/dbraw/zinc/59/28/56/847592856.db2.gz JBFPJLRABLEIIA-LBPRGKRZSA-N 1 2 289.383 0.719 20 30 CCEDLO C=C[C@@](C)(O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252582883 848021527 /nfs/dbraw/zinc/02/15/27/848021527.db2.gz YKBWWOLXRBWTKV-WCQYABFASA-N 1 2 267.329 0.031 20 30 CCEDLO C#CCN1CC2(C[NH+](CCSCC)C2)OCC1=O ZINC001274010035 848299120 /nfs/dbraw/zinc/29/91/20/848299120.db2.gz PUXQUGIRBJBVIL-UHFFFAOYSA-N 1 2 268.382 0.286 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ncc(C)o1 ZINC001274017703 848305562 /nfs/dbraw/zinc/30/55/62/848305562.db2.gz VJLBZQDCLZYTAP-CFHLNLSMSA-N 1 2 291.351 0.783 20 30 CCEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ncccn1 ZINC001274032511 848312973 /nfs/dbraw/zinc/31/29/73/848312973.db2.gz QSARJCVKLAIFIN-CHWSQXEVSA-N 1 2 285.351 0.956 20 30 CCEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ncccn1 ZINC001274032511 848312979 /nfs/dbraw/zinc/31/29/79/848312979.db2.gz QSARJCVKLAIFIN-CHWSQXEVSA-N 1 2 285.351 0.956 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)CO)C[C@@]2(F)C1=O ZINC001274055530 848330948 /nfs/dbraw/zinc/33/09/48/848330948.db2.gz LKINAWQLHQDDJE-UONOGXRCSA-N 1 2 288.338 0.765 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](CC(C)(C)CO)C[C@@]2(F)C1=O ZINC001274055530 848330952 /nfs/dbraw/zinc/33/09/52/848330952.db2.gz LKINAWQLHQDDJE-UONOGXRCSA-N 1 2 288.338 0.765 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OC(C)C)CC2 ZINC001274061007 848334567 /nfs/dbraw/zinc/33/45/67/848334567.db2.gz DPRBPJVZZOJFQJ-ZDUSSCGKSA-N 1 2 292.379 0.790 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)CC)C[C@@]2(F)C1=O ZINC001274549212 848502283 /nfs/dbraw/zinc/50/22/83/848502283.db2.gz UWKOTHNBQHVEPF-KGYLQXTDSA-N 1 2 274.311 0.518 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@H](O)CC)C[C@@]2(F)C1=O ZINC001274549212 848502293 /nfs/dbraw/zinc/50/22/93/848502293.db2.gz UWKOTHNBQHVEPF-KGYLQXTDSA-N 1 2 274.311 0.518 20 30 CCEDLO C#CCN1C[C@@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739170 848556408 /nfs/dbraw/zinc/55/64/08/848556408.db2.gz BEFZCKFZJGWCOX-HNNXBMFYSA-N 1 2 271.320 0.523 20 30 CCEDLO N#Cc1cc(F)cc(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000718626697 848676921 /nfs/dbraw/zinc/67/69/21/848676921.db2.gz NUCXZRSGXVKZCX-CQSZACIVSA-N 1 2 279.315 0.802 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3ccc(C#N)nc3)C2)C1 ZINC001275296057 848687698 /nfs/dbraw/zinc/68/76/98/848687698.db2.gz ORLVUUWMCFHMMK-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1ccc(C#N)nc1)C2 ZINC001275296057 848687702 /nfs/dbraw/zinc/68/77/02/848687702.db2.gz ORLVUUWMCFHMMK-UHFFFAOYSA-N 1 2 299.378 0.159 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001276063056 848913606 /nfs/dbraw/zinc/91/36/06/848913606.db2.gz YFVNAWVPGSRNSZ-ZNMIVQPWSA-N 1 2 290.407 0.999 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ncccc1C#N ZINC001095582775 848992748 /nfs/dbraw/zinc/99/27/48/848992748.db2.gz KBAUNWWNLHQQQM-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110964696 849033598 /nfs/dbraw/zinc/03/35/98/849033598.db2.gz XJOHQUACEALGCE-UTUOFQBUSA-N 1 2 265.357 0.550 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110964696 849033603 /nfs/dbraw/zinc/03/36/03/849033603.db2.gz XJOHQUACEALGCE-UTUOFQBUSA-N 1 2 265.357 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095866889 849204992 /nfs/dbraw/zinc/20/49/92/849204992.db2.gz RZDYSLAKQKGRTF-RHYQMDGZSA-N 1 2 297.786 0.597 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095866889 849204998 /nfs/dbraw/zinc/20/49/98/849204998.db2.gz RZDYSLAKQKGRTF-RHYQMDGZSA-N 1 2 297.786 0.597 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038169514 849806797 /nfs/dbraw/zinc/80/67/97/849806797.db2.gz IODKOZBTJOGALM-QWHCGFSZSA-N 1 2 250.342 0.769 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038169514 849806803 /nfs/dbraw/zinc/80/68/03/849806803.db2.gz IODKOZBTJOGALM-QWHCGFSZSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001038256528 849832880 /nfs/dbraw/zinc/83/28/80/849832880.db2.gz CRYMGEKUGFFUSR-MJBXVCDLSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001038256528 849832883 /nfs/dbraw/zinc/83/28/83/849832883.db2.gz CRYMGEKUGFFUSR-MJBXVCDLSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001038326644 849851583 /nfs/dbraw/zinc/85/15/83/849851583.db2.gz WJOCLNSZMSROGY-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001038326644 849851587 /nfs/dbraw/zinc/85/15/87/849851587.db2.gz WJOCLNSZMSROGY-MRVPVSSYSA-N 1 2 286.257 0.866 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038422858 849889225 /nfs/dbraw/zinc/88/92/25/849889225.db2.gz ATDQCMWVBHJIAQ-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001038422858 849889232 /nfs/dbraw/zinc/88/92/32/849889232.db2.gz ATDQCMWVBHJIAQ-OLZOCXBDSA-N 1 2 272.352 0.269 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038424978 849892863 /nfs/dbraw/zinc/89/28/63/849892863.db2.gz XJJXOWOZECBPLK-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001038424978 849892868 /nfs/dbraw/zinc/89/28/68/849892868.db2.gz XJJXOWOZECBPLK-UONOGXRCSA-N 1 2 286.379 0.659 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038425612 849893422 /nfs/dbraw/zinc/89/34/22/849893422.db2.gz BIXKWXPKNNTENS-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038424813 849894314 /nfs/dbraw/zinc/89/43/14/849894314.db2.gz CRNQPLBPXDKFMX-NSHDSACASA-N 1 2 299.334 0.491 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001038424813 849894324 /nfs/dbraw/zinc/89/43/24/849894324.db2.gz CRNQPLBPXDKFMX-NSHDSACASA-N 1 2 299.334 0.491 20 30 CCEDLO C#CCN1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038441903 849898982 /nfs/dbraw/zinc/89/89/82/849898982.db2.gz LXVFYMDIIZLFDF-NSHDSACASA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038543075 849937685 /nfs/dbraw/zinc/93/76/85/849937685.db2.gz QULYGWYCTHMLBC-PRFQISJJSA-N 1 2 260.337 0.234 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038543075 849937699 /nfs/dbraw/zinc/93/76/99/849937699.db2.gz QULYGWYCTHMLBC-PRFQISJJSA-N 1 2 260.337 0.234 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001038555421 849940925 /nfs/dbraw/zinc/94/09/25/849940925.db2.gz PZWFLGXLUHQMQC-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001038555421 849940931 /nfs/dbraw/zinc/94/09/31/849940931.db2.gz PZWFLGXLUHQMQC-CABCVRRESA-N 1 2 293.411 0.311 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663032 849973821 /nfs/dbraw/zinc/97/38/21/849973821.db2.gz YAGDCIASJSMAPF-ZIAGYGMSSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663032 849973829 /nfs/dbraw/zinc/97/38/29/849973829.db2.gz YAGDCIASJSMAPF-ZIAGYGMSSA-N 1 2 291.395 0.812 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001038714539 849991792 /nfs/dbraw/zinc/99/17/92/849991792.db2.gz ZQMJNSUECVDJHR-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001038714539 849991798 /nfs/dbraw/zinc/99/17/98/849991798.db2.gz ZQMJNSUECVDJHR-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001038755702 850006288 /nfs/dbraw/zinc/00/62/88/850006288.db2.gz YKWIERAZJKDLMD-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001038755702 850006292 /nfs/dbraw/zinc/00/62/92/850006292.db2.gz YKWIERAZJKDLMD-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038763875 850008366 /nfs/dbraw/zinc/00/83/66/850008366.db2.gz IWXAJDHTXVXFMX-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038763875 850008373 /nfs/dbraw/zinc/00/83/73/850008373.db2.gz IWXAJDHTXVXFMX-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038767769 850009723 /nfs/dbraw/zinc/00/97/23/850009723.db2.gz NBAKOKQJOADQMS-CYBMUJFWSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038767769 850009729 /nfs/dbraw/zinc/00/97/29/850009729.db2.gz NBAKOKQJOADQMS-CYBMUJFWSA-N 1 2 260.341 0.730 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001038909368 850076201 /nfs/dbraw/zinc/07/62/01/850076201.db2.gz DYGYHFCRNLOMRN-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001038909368 850076210 /nfs/dbraw/zinc/07/62/10/850076210.db2.gz DYGYHFCRNLOMRN-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001039039618 850133283 /nfs/dbraw/zinc/13/32/83/850133283.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 1 2 281.400 0.474 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001039039618 850133293 /nfs/dbraw/zinc/13/32/93/850133293.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 1 2 281.400 0.474 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039059013 850143354 /nfs/dbraw/zinc/14/33/54/850143354.db2.gz ACQPPXCUGIREJX-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001039059013 850143360 /nfs/dbraw/zinc/14/33/60/850143360.db2.gz ACQPPXCUGIREJX-AWEZNQCLSA-N 1 2 286.379 0.975 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001042967629 850790854 /nfs/dbraw/zinc/79/08/54/850790854.db2.gz YQQABIMMAPVBJS-UHFFFAOYSA-N 1 2 262.357 0.843 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CN(CC#N)C1)C2 ZINC001043139180 850821440 /nfs/dbraw/zinc/82/14/40/850821440.db2.gz FKPAUWNCFNUHKX-LLVKDONJSA-N 1 2 287.367 0.489 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CN(CC#N)C1)CC2 ZINC001043139180 850821448 /nfs/dbraw/zinc/82/14/48/850821448.db2.gz FKPAUWNCFNUHKX-LLVKDONJSA-N 1 2 287.367 0.489 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3c2OCCC3)C1 ZINC001043224636 850838599 /nfs/dbraw/zinc/83/85/99/850838599.db2.gz AKTVUSNVDFJBCI-UHFFFAOYSA-N 1 2 290.367 0.998 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001043469277 850878434 /nfs/dbraw/zinc/87/84/34/850878434.db2.gz IELFWWXFXPAVJI-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(Cl)CN1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044090334 851006963 /nfs/dbraw/zinc/00/69/63/851006963.db2.gz IUUHWIYZFYBJFJ-UHFFFAOYSA-N 1 2 268.748 0.847 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)Cc2nonc2C)C1 ZINC001044123740 851016524 /nfs/dbraw/zinc/01/65/24/851016524.db2.gz AKBNOCCXGXPYHX-UHFFFAOYSA-N 1 2 262.313 0.086 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(OC)n2)C1 ZINC001044129511 851018352 /nfs/dbraw/zinc/01/83/52/851018352.db2.gz SGUABIGYDZAOKK-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001044147867 851023321 /nfs/dbraw/zinc/02/33/21/851023321.db2.gz DUZIJZBJXVGCSF-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001044318942 851074393 /nfs/dbraw/zinc/07/43/93/851074393.db2.gz AUAGKGWDSYKAAZ-NSHDSACASA-N 1 2 274.368 0.843 20 30 CCEDLO CSCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046002024 851346074 /nfs/dbraw/zinc/34/60/74/851346074.db2.gz QRUBHFKKPIPDDF-GFCCVEGCSA-N 1 2 282.413 0.091 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001046003415 851346603 /nfs/dbraw/zinc/34/66/03/851346603.db2.gz FBETUTSRKHZSFS-CQSZACIVSA-N 1 2 288.351 0.635 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046591410 851558084 /nfs/dbraw/zinc/55/80/84/851558084.db2.gz YMENBYLHRQQSRN-ZDUSSCGKSA-N 1 2 264.329 0.506 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046591410 851558088 /nfs/dbraw/zinc/55/80/88/851558088.db2.gz YMENBYLHRQQSRN-ZDUSSCGKSA-N 1 2 264.329 0.506 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)cs2)C1 ZINC001047483761 851780890 /nfs/dbraw/zinc/78/08/90/851780890.db2.gz RGSAGAPMQHGMKJ-RYUDHWBXSA-N 1 2 294.376 0.507 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)cs2)C1 ZINC001047483761 851780892 /nfs/dbraw/zinc/78/08/92/851780892.db2.gz RGSAGAPMQHGMKJ-RYUDHWBXSA-N 1 2 294.376 0.507 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC001047585336 851824803 /nfs/dbraw/zinc/82/48/03/851824803.db2.gz RQEQGSBBWBXMPM-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC001047585336 851824816 /nfs/dbraw/zinc/82/48/16/851824816.db2.gz RQEQGSBBWBXMPM-RYUDHWBXSA-N 1 2 277.324 0.123 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001096338099 851936925 /nfs/dbraw/zinc/93/69/25/851936925.db2.gz IMINAPOMHURJNP-KOLCDFICSA-N 1 2 259.313 0.640 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#N ZINC001049841326 852383624 /nfs/dbraw/zinc/38/36/24/852383624.db2.gz RNMSMMFDGYZNBC-KGLIPLIRSA-N 1 2 287.367 0.551 20 30 CCEDLO Cc1nc(N[C@@H](C)CNC(=O)CSCC#N)cc[nH+]1 ZINC001097674233 852570529 /nfs/dbraw/zinc/57/05/29/852570529.db2.gz KHDWSSWEDNYGNZ-VIFPVBQESA-N 1 2 279.369 0.958 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnnc1)O2 ZINC001053668732 852773496 /nfs/dbraw/zinc/77/34/96/852773496.db2.gz OBIYZJQIMZFPLS-ZDUSSCGKSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053739125 852795834 /nfs/dbraw/zinc/79/58/34/852795834.db2.gz ZUBLIAIXSNEQDP-LBPRGKRZSA-N 1 2 273.336 0.611 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn[nH]c1)CO2 ZINC001053749445 852802466 /nfs/dbraw/zinc/80/24/66/852802466.db2.gz PYECETNTAHGHBC-LBPRGKRZSA-N 1 2 274.324 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCO1)CO2 ZINC001053778731 852818124 /nfs/dbraw/zinc/81/81/24/852818124.db2.gz GZEAXRANRLZGEX-UONOGXRCSA-N 1 2 292.379 0.538 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NCC#N ZINC001054952496 853044657 /nfs/dbraw/zinc/04/46/57/853044657.db2.gz VDMROTNIIROCAD-NWDGAFQWSA-N 1 2 261.329 0.233 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 ZINC001097974944 853060178 /nfs/dbraw/zinc/06/01/78/853060178.db2.gz DZSBHUJEFXVZRH-SECBINFHSA-N 1 2 299.338 0.539 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050808100 853442837 /nfs/dbraw/zinc/44/28/37/853442837.db2.gz ZGJUGPCNVFVREJ-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001050808100 853442846 /nfs/dbraw/zinc/44/28/46/853442846.db2.gz ZGJUGPCNVFVREJ-OLZOCXBDSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cocn1 ZINC001050848681 853461063 /nfs/dbraw/zinc/46/10/63/853461063.db2.gz MXHGVKWPSUSCLD-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cocn1 ZINC001050848681 853461065 /nfs/dbraw/zinc/46/10/65/853461065.db2.gz MXHGVKWPSUSCLD-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001050881956 853474797 /nfs/dbraw/zinc/47/47/97/853474797.db2.gz LHRQPBFSJBKEFG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001050881956 853474802 /nfs/dbraw/zinc/47/48/02/853474802.db2.gz LHRQPBFSJBKEFG-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnnn1C ZINC001050902907 853481238 /nfs/dbraw/zinc/48/12/38/853481238.db2.gz NRMYAQQSIAUOBL-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnnn1C ZINC001050902907 853481240 /nfs/dbraw/zinc/48/12/40/853481240.db2.gz NRMYAQQSIAUOBL-LBPRGKRZSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1csnn1 ZINC001051047878 853512078 /nfs/dbraw/zinc/51/20/78/853512078.db2.gz SBYCZHLSQVGMKY-LLVKDONJSA-N 1 2 296.396 0.935 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1csnn1 ZINC001051047878 853512085 /nfs/dbraw/zinc/51/20/85/853512085.db2.gz SBYCZHLSQVGMKY-LLVKDONJSA-N 1 2 296.396 0.935 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001052013896 853675582 /nfs/dbraw/zinc/67/55/82/853675582.db2.gz AYTXGFOHSAXISR-CABCVRRESA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052030208 853677953 /nfs/dbraw/zinc/67/79/53/853677953.db2.gz JLLCZTQZMPAKIP-AWEZNQCLSA-N 1 2 275.396 0.638 20 30 CCEDLO N#Cc1cccnc1N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058423083 853843546 /nfs/dbraw/zinc/84/35/46/853843546.db2.gz WWIBBZRIJRGFCS-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC)C[C@H]2c1nnc(C)[nH]1 ZINC001070436690 854058573 /nfs/dbraw/zinc/05/85/73/854058573.db2.gz AKYQYCJFHRLNLU-LBPRGKRZSA-N 1 2 287.367 0.384 20 30 CCEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071791410 854294947 /nfs/dbraw/zinc/29/49/47/854294947.db2.gz SXDRVPJEKSCZID-VXGBXAGGSA-N 1 2 290.367 0.882 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 ZINC001072027395 854336887 /nfs/dbraw/zinc/33/68/87/854336887.db2.gz YJSDSZSVJBBVBP-CMPLNLGQSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1CC#N ZINC001072124082 854348850 /nfs/dbraw/zinc/34/88/50/854348850.db2.gz XIUMLYKGHUPEGK-VXGBXAGGSA-N 1 2 261.329 0.376 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072675911 854444696 /nfs/dbraw/zinc/44/46/96/854444696.db2.gz FOZVIZXGJOWTHF-UHFFFAOYSA-N 1 2 273.340 0.400 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073045141 854520649 /nfs/dbraw/zinc/52/06/49/854520649.db2.gz VIHGLNCKOKZEQH-LBPRGKRZSA-N 1 2 287.367 0.646 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073045141 854520657 /nfs/dbraw/zinc/52/06/57/854520657.db2.gz VIHGLNCKOKZEQH-LBPRGKRZSA-N 1 2 287.367 0.646 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074118341 854673857 /nfs/dbraw/zinc/67/38/57/854673857.db2.gz GSARPPBZQHUPPO-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074118341 854673862 /nfs/dbraw/zinc/67/38/62/854673862.db2.gz GSARPPBZQHUPPO-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074170262 854684883 /nfs/dbraw/zinc/68/48/83/854684883.db2.gz LFAAUACCQBVKOA-GJZGRUSLSA-N 1 2 287.363 0.953 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074170262 854684890 /nfs/dbraw/zinc/68/48/90/854684890.db2.gz LFAAUACCQBVKOA-GJZGRUSLSA-N 1 2 287.363 0.953 20 30 CCEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183664 854921261 /nfs/dbraw/zinc/92/12/61/854921261.db2.gz NONIWCDGTCSWJZ-JSGCOSHPSA-N 1 2 273.340 0.377 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001099404481 854933159 /nfs/dbraw/zinc/93/31/59/854933159.db2.gz FLKWCHQOCJSHAU-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001099712677 854975231 /nfs/dbraw/zinc/97/52/31/854975231.db2.gz GCXCNDZTWDEBPW-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]cn1C ZINC001101695105 855345197 /nfs/dbraw/zinc/34/51/97/855345197.db2.gz OPRCSDSNMCZOGG-UHFFFAOYSA-N 1 2 299.338 0.195 20 30 CCEDLO C=CCn1cnn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC001116886942 855858267 /nfs/dbraw/zinc/85/82/67/855858267.db2.gz VDUATEQSWVWIQD-GFCCVEGCSA-N 1 2 281.385 0.755 20 30 CCEDLO C=CCn1cnn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC001116886942 855858273 /nfs/dbraw/zinc/85/82/73/855858273.db2.gz VDUATEQSWVWIQD-GFCCVEGCSA-N 1 2 281.385 0.755 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001116918180 855867245 /nfs/dbraw/zinc/86/72/45/855867245.db2.gz VOJINLCPPRBXHV-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001116918180 855867250 /nfs/dbraw/zinc/86/72/50/855867250.db2.gz VOJINLCPPRBXHV-RYUDHWBXSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001118093611 856159374 /nfs/dbraw/zinc/15/93/74/856159374.db2.gz UYSBAOQXALAHIP-LLVKDONJSA-N 1 2 286.339 0.539 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001119663923 856825071 /nfs/dbraw/zinc/82/50/71/856825071.db2.gz ZTUABWYVLHFVKB-GXTWGEPZSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001119663923 856825075 /nfs/dbraw/zinc/82/50/75/856825075.db2.gz ZTUABWYVLHFVKB-GXTWGEPZSA-N 1 2 270.373 0.350 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001119677411 856832071 /nfs/dbraw/zinc/83/20/71/856832071.db2.gz GTMYXXFCQHITSZ-OLZOCXBDSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001323299736 912252211 /nfs/dbraw/zinc/25/22/11/912252211.db2.gz YCRHCXDDXNUEIY-CHWSQXEVSA-N 1 2 290.367 0.955 20 30 CCEDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001323406415 912327507 /nfs/dbraw/zinc/32/75/07/912327507.db2.gz PKEIQLXTXCPCSZ-VIFPVBQESA-N 1 2 262.313 0.881 20 30 CCEDLO Cc1ccnc(C[NH2+]C2(CNC(=O)C#CC3CC3)CC2)n1 ZINC001323438185 912343076 /nfs/dbraw/zinc/34/30/76/912343076.db2.gz WXCZNLRISYWWBK-UHFFFAOYSA-N 1 2 284.363 0.937 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001394043270 912936172 /nfs/dbraw/zinc/93/61/72/912936172.db2.gz LPHHJBFWBOINCJ-RKDXNWHRSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001394043270 912936179 /nfs/dbraw/zinc/93/61/79/912936179.db2.gz LPHHJBFWBOINCJ-RKDXNWHRSA-N 1 2 281.385 0.943 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CCO)C[NH+](CCOC2CCC2)C1 ZINC001394145664 913042565 /nfs/dbraw/zinc/04/25/65/913042565.db2.gz CRBTYNJTVHPGPY-GFCCVEGCSA-N 1 2 295.383 0.268 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001480891291 891690629 /nfs/dbraw/zinc/69/06/29/891690629.db2.gz YYOXNTBFMZDZOW-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001480891291 891690638 /nfs/dbraw/zinc/69/06/38/891690638.db2.gz YYOXNTBFMZDZOW-UHFFFAOYSA-N 1 2 294.746 0.538 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2occc2C)C1 ZINC001325818024 913591343 /nfs/dbraw/zinc/59/13/43/913591343.db2.gz LCRXMYQPSBSYFN-OAHLLOKOSA-N 1 2 276.336 0.778 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2occc2C)C1 ZINC001325818024 913591358 /nfs/dbraw/zinc/59/13/58/913591358.db2.gz LCRXMYQPSBSYFN-OAHLLOKOSA-N 1 2 276.336 0.778 20 30 CCEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001481035757 892097106 /nfs/dbraw/zinc/09/71/06/892097106.db2.gz LPJMKXWKEHLRSS-RYUDHWBXSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001481035757 892097120 /nfs/dbraw/zinc/09/71/20/892097120.db2.gz LPJMKXWKEHLRSS-RYUDHWBXSA-N 1 2 292.383 0.253 20 30 CCEDLO CCCN(C(=O)C1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481388152 892608299 /nfs/dbraw/zinc/60/82/99/892608299.db2.gz JULAHXQQSHUWIL-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CCCN(C(=O)C1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481388152 892608304 /nfs/dbraw/zinc/60/83/04/892608304.db2.gz JULAHXQQSHUWIL-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001481524945 892771649 /nfs/dbraw/zinc/77/16/49/892771649.db2.gz IRQIJMKLHQZYGF-JXQTWKCFSA-N 1 2 293.411 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001481524945 892771655 /nfs/dbraw/zinc/77/16/55/892771655.db2.gz IRQIJMKLHQZYGF-JXQTWKCFSA-N 1 2 293.411 0.915 20 30 CCEDLO N#CCSCC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001481544088 892794603 /nfs/dbraw/zinc/79/46/03/892794603.db2.gz AXVJYAZVEVOPEH-GFCCVEGCSA-N 1 2 283.397 0.613 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001481595606 892881400 /nfs/dbraw/zinc/88/14/00/892881400.db2.gz NNRFUZAGSXAFDL-CYBMUJFWSA-N 1 2 267.373 0.524 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)CC)C1 ZINC001481609204 892892073 /nfs/dbraw/zinc/89/20/73/892892073.db2.gz VLXKMLZXICDKKR-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C/C=C(\C)C=C)C1 ZINC001481640859 892949215 /nfs/dbraw/zinc/94/92/15/892949215.db2.gz MGGDTZSASNAAIM-AWNIVKPZSA-N 1 2 289.379 0.306 20 30 CCEDLO C[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051768 913720574 /nfs/dbraw/zinc/72/05/74/913720574.db2.gz XHRFUKRNMKKUFL-WDEREUQCSA-N 1 2 260.359 0.018 20 30 CCEDLO C[C@@H](C[N@H+]1CC[C@](O)(CC#N)C1)CS(C)(=O)=O ZINC001326051768 913720580 /nfs/dbraw/zinc/72/05/80/913720580.db2.gz XHRFUKRNMKKUFL-WDEREUQCSA-N 1 2 260.359 0.018 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001481700573 893037746 /nfs/dbraw/zinc/03/77/46/893037746.db2.gz SROPTNLZGUCKMA-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001481700573 893037765 /nfs/dbraw/zinc/03/77/65/893037765.db2.gz SROPTNLZGUCKMA-VXGBXAGGSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001481701174 893039612 /nfs/dbraw/zinc/03/96/12/893039612.db2.gz YHADBHZOWKCOSB-ZIAGYGMSSA-N 1 2 293.411 0.895 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001481701174 893039632 /nfs/dbraw/zinc/03/96/32/893039632.db2.gz YHADBHZOWKCOSB-ZIAGYGMSSA-N 1 2 293.411 0.895 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001481728306 893097321 /nfs/dbraw/zinc/09/73/21/893097321.db2.gz QRIXZTCVPBVABG-AWEZNQCLSA-N 1 2 289.379 0.235 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001481728306 893097340 /nfs/dbraw/zinc/09/73/40/893097340.db2.gz QRIXZTCVPBVABG-AWEZNQCLSA-N 1 2 289.379 0.235 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001481843225 893199367 /nfs/dbraw/zinc/19/93/67/893199367.db2.gz XZLVLQOZDXHWGZ-SNVBAGLBSA-N 1 2 280.376 0.407 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COCC)C1 ZINC001482179121 893463864 /nfs/dbraw/zinc/46/38/64/893463864.db2.gz XMZDUUWSQXKDRP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COCC)C1 ZINC001482179121 893463871 /nfs/dbraw/zinc/46/38/71/893463871.db2.gz XMZDUUWSQXKDRP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001482180265 893467785 /nfs/dbraw/zinc/46/77/85/893467785.db2.gz WHVOTHJGLKHCJT-ZDUSSCGKSA-N 1 2 278.356 0.276 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001482180265 893467787 /nfs/dbraw/zinc/46/77/87/893467787.db2.gz WHVOTHJGLKHCJT-ZDUSSCGKSA-N 1 2 278.356 0.276 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH+]cn1C)c1ncccc1C#N ZINC001396111530 913807798 /nfs/dbraw/zinc/80/77/98/913807798.db2.gz LDKRKVYOFHLJCW-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000697287602 894316318 /nfs/dbraw/zinc/31/63/18/894316318.db2.gz WXIXXRKDXRHIQG-ZIAGYGMSSA-N 1 2 279.361 0.440 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001482614923 894412616 /nfs/dbraw/zinc/41/26/16/894412616.db2.gz UHKFCLUZVGCCOR-CZUORRHYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001482614923 894412622 /nfs/dbraw/zinc/41/26/22/894412622.db2.gz UHKFCLUZVGCCOR-CZUORRHYSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCCC[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001482732303 894534468 /nfs/dbraw/zinc/53/44/68/894534468.db2.gz MBVNWRQUJUDWNM-RKDXNWHRSA-N 1 2 286.269 0.920 20 30 CCEDLO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001482732303 894534475 /nfs/dbraw/zinc/53/44/75/894534475.db2.gz MBVNWRQUJUDWNM-RKDXNWHRSA-N 1 2 286.269 0.920 20 30 CCEDLO C=C(C)CCC(=O)NC/C=C\C[NH2+][C@@H](C)c1nnnn1C ZINC001483014504 894802569 /nfs/dbraw/zinc/80/25/69/894802569.db2.gz RQEMJLLWQWQZLQ-FJOGCWAESA-N 1 2 292.387 0.889 20 30 CCEDLO N#CCNCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001326446190 913961062 /nfs/dbraw/zinc/96/10/62/913961062.db2.gz MFQNKZHVWZTNCO-GFCCVEGCSA-N 1 2 261.329 0.235 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001396808620 913962065 /nfs/dbraw/zinc/96/20/65/913962065.db2.gz ZCVBNWIMHVIFOZ-CMPLNLGQSA-N 1 2 289.339 0.171 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001483923573 896118955 /nfs/dbraw/zinc/11/89/55/896118955.db2.gz AWSUANKNCJHHQK-GFCCVEGCSA-N 1 2 294.355 0.661 20 30 CCEDLO C#CCCCC(=O)NCC1(O)C[NH+](CCC[C@H](C)O)C1 ZINC001484271047 896307952 /nfs/dbraw/zinc/30/79/52/896307952.db2.gz USQOOHJQRGFNRS-ZDUSSCGKSA-N 1 2 282.384 0.114 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H](C)OC ZINC001326629793 914064213 /nfs/dbraw/zinc/06/42/13/914064213.db2.gz VVWNGMBQTBSEDT-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H](C)OC ZINC001326629793 914064228 /nfs/dbraw/zinc/06/42/28/914064228.db2.gz VVWNGMBQTBSEDT-KGLIPLIRSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)OC)O2 ZINC001484781608 896595980 /nfs/dbraw/zinc/59/59/80/896595980.db2.gz MNGRMKQFUIXJMQ-NEPJUHHUSA-N 1 2 268.357 0.557 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001485414913 897045400 /nfs/dbraw/zinc/04/54/00/897045400.db2.gz BABHCFXVVQCCDC-MRXNPFEDSA-N 1 2 298.386 0.903 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272773654 897646631 /nfs/dbraw/zinc/64/66/31/897646631.db2.gz XRMGJIJSBDAVJJ-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(C)on3)C2)OCC1=O ZINC001272773654 897646635 /nfs/dbraw/zinc/64/66/35/897646635.db2.gz XRMGJIJSBDAVJJ-HNNXBMFYSA-N 1 2 291.351 0.972 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001032536443 897717178 /nfs/dbraw/zinc/71/71/78/897717178.db2.gz FETOLLVCWCFOEJ-SNPRPXQTSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001032536443 897717183 /nfs/dbraw/zinc/71/71/83/897717183.db2.gz FETOLLVCWCFOEJ-SNPRPXQTSA-N 1 2 286.379 0.832 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC001032544387 897729377 /nfs/dbraw/zinc/72/93/77/897729377.db2.gz QIHDEFDLDZKLKE-IUCAKERBSA-N 1 2 250.327 0.623 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC001032544387 897729392 /nfs/dbraw/zinc/72/93/92/897729392.db2.gz QIHDEFDLDZKLKE-IUCAKERBSA-N 1 2 250.327 0.623 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550782 897735925 /nfs/dbraw/zinc/73/59/25/897735925.db2.gz FORTXYMFRMUGLZ-RYUDHWBXSA-N 1 2 259.313 0.082 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C(C)C ZINC001032604933 897811536 /nfs/dbraw/zinc/81/15/36/897811536.db2.gz OCHVLJCWNCUXCA-RWMBFGLXSA-N 1 2 250.342 0.576 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C(C)C ZINC001032604933 897811548 /nfs/dbraw/zinc/81/15/48/897811548.db2.gz OCHVLJCWNCUXCA-RWMBFGLXSA-N 1 2 250.342 0.576 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C ZINC001032635726 897862216 /nfs/dbraw/zinc/86/22/16/897862216.db2.gz AAFHZYKGRWRNMV-RFGFWPKPSA-N 1 2 262.353 0.720 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C ZINC001032635726 897862223 /nfs/dbraw/zinc/86/22/23/897862223.db2.gz AAFHZYKGRWRNMV-RFGFWPKPSA-N 1 2 262.353 0.720 20 30 CCEDLO C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N)n1cc[nH+]c1 ZINC001032656551 897902595 /nfs/dbraw/zinc/90/25/95/897902595.db2.gz FWCCZSMJQMWISK-AGIUHOORSA-N 1 2 273.340 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C ZINC001032686599 897931523 /nfs/dbraw/zinc/93/15/23/897931523.db2.gz AJMSQTRFYVCOHJ-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C ZINC001032686599 897931532 /nfs/dbraw/zinc/93/15/32/897931532.db2.gz AJMSQTRFYVCOHJ-RYUDHWBXSA-N 1 2 258.325 0.558 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nn1 ZINC001032706998 897949504 /nfs/dbraw/zinc/94/95/04/897949504.db2.gz XAOQDHJJTHESQU-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nn1 ZINC001032706998 897949522 /nfs/dbraw/zinc/94/95/22/897949522.db2.gz XAOQDHJJTHESQU-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001077859655 897993491 /nfs/dbraw/zinc/99/34/91/897993491.db2.gz QWNSOLRXVCZQHD-NILFDRSVSA-N 1 2 290.338 0.724 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001077859655 897993498 /nfs/dbraw/zinc/99/34/98/897993498.db2.gz QWNSOLRXVCZQHD-NILFDRSVSA-N 1 2 290.338 0.724 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)nc1 ZINC001032738225 898043720 /nfs/dbraw/zinc/04/37/20/898043720.db2.gz TVUBNOPCWKVZAW-GJZGRUSLSA-N 1 2 279.343 0.985 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)nc1 ZINC001032738225 898043725 /nfs/dbraw/zinc/04/37/25/898043725.db2.gz TVUBNOPCWKVZAW-GJZGRUSLSA-N 1 2 279.343 0.985 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001077945787 898092544 /nfs/dbraw/zinc/09/25/44/898092544.db2.gz UMOOBNGNNGCLMW-CHWSQXEVSA-N 1 2 282.359 0.843 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001077945787 898092559 /nfs/dbraw/zinc/09/25/59/898092559.db2.gz UMOOBNGNNGCLMW-CHWSQXEVSA-N 1 2 282.359 0.843 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001078082308 898222487 /nfs/dbraw/zinc/22/24/87/898222487.db2.gz JCEOITRWPQVXNX-HUUCEWRRSA-N 1 2 290.338 0.341 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001078082308 898222503 /nfs/dbraw/zinc/22/25/03/898222503.db2.gz JCEOITRWPQVXNX-HUUCEWRRSA-N 1 2 290.338 0.341 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001078131844 898256592 /nfs/dbraw/zinc/25/65/92/898256592.db2.gz AYHXZLJOHFAOMA-MNOVXSKESA-N 1 2 291.355 0.133 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001078212658 898296034 /nfs/dbraw/zinc/29/60/34/898296034.db2.gz HVGZWKHMTKTPFD-MYMJJRTCSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001078212658 898296044 /nfs/dbraw/zinc/29/60/44/898296044.db2.gz HVGZWKHMTKTPFD-MYMJJRTCSA-N 1 2 276.380 0.751 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](CNCC#N)C1 ZINC001486215819 898716031 /nfs/dbraw/zinc/71/60/31/898716031.db2.gz LNTXBAJOANODHS-VXGBXAGGSA-N 1 2 275.356 0.361 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486278946 898737586 /nfs/dbraw/zinc/73/75/86/898737586.db2.gz PKOVBCAIRCBWKC-HTQZYQBOSA-N 1 2 272.242 0.482 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001486278946 898737595 /nfs/dbraw/zinc/73/75/95/898737595.db2.gz PKOVBCAIRCBWKC-HTQZYQBOSA-N 1 2 272.242 0.482 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N ZINC001410605366 899492701 /nfs/dbraw/zinc/49/27/01/899492701.db2.gz JADAWUXRBOHZDP-GXSJLCMTSA-N 1 2 289.339 0.137 20 30 CCEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3nnccc3C#N)cc2C1 ZINC001175048258 899954571 /nfs/dbraw/zinc/95/45/71/899954571.db2.gz SGKAGYVERSENPH-UHFFFAOYSA-N 1 2 297.322 0.633 20 30 CCEDLO C[N@H+]1CCCn2nc(C(=O)Nc3nnccc3C#N)cc2C1 ZINC001175048258 899954576 /nfs/dbraw/zinc/95/45/76/899954576.db2.gz SGKAGYVERSENPH-UHFFFAOYSA-N 1 2 297.322 0.633 20 30 CCEDLO C[C@H](NCC#N)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001490309458 900599899 /nfs/dbraw/zinc/59/98/99/900599899.db2.gz JUUQOATZIIRCTN-GXTWGEPZSA-N 1 2 289.383 0.845 20 30 CCEDLO Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)n1 ZINC001490401919 900616301 /nfs/dbraw/zinc/61/63/01/900616301.db2.gz DXVMDVMPMCKYFW-JTQLQIEISA-N 1 2 291.355 0.961 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001490537294 900652361 /nfs/dbraw/zinc/65/23/61/900652361.db2.gz MFGGSXRYANBVLL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001490537294 900652372 /nfs/dbraw/zinc/65/23/72/900652372.db2.gz MFGGSXRYANBVLL-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C[C@H]1C[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CCO1 ZINC001490508183 900657457 /nfs/dbraw/zinc/65/74/57/900657457.db2.gz XGFRDBFWCDFUES-UONOGXRCSA-N 1 2 294.399 0.059 20 30 CCEDLO C=CCC(C)(C)C(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001491307734 903492462 /nfs/dbraw/zinc/49/24/62/903492462.db2.gz DOWZLLMIVLUHKC-UHFFFAOYSA-N 1 2 292.383 0.797 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC001221563519 903878620 /nfs/dbraw/zinc/87/86/20/903878620.db2.gz UMVJYAVZABWJBD-CHWSQXEVSA-N 1 2 289.379 0.069 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC001221563519 903878642 /nfs/dbraw/zinc/87/86/42/903878642.db2.gz UMVJYAVZABWJBD-CHWSQXEVSA-N 1 2 289.379 0.069 20 30 CCEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)CC ZINC001316610893 904284492 /nfs/dbraw/zinc/28/44/92/904284492.db2.gz MBQNVQFVZFJKTR-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)CC ZINC001316610893 904284507 /nfs/dbraw/zinc/28/45/07/904284507.db2.gz MBQNVQFVZFJKTR-LBPRGKRZSA-N 1 2 288.413 0.530 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)/C(C)=C\CC)C1 ZINC001282508590 904495268 /nfs/dbraw/zinc/49/52/68/904495268.db2.gz CVGAHIBACHAHTB-QPEQYQDCSA-N 1 2 264.369 0.919 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC1(CCO)C[NH+](CC(=C)C)C1 ZINC001282511512 904497918 /nfs/dbraw/zinc/49/79/18/904497918.db2.gz UVGSCSBSJGMNCK-CYBMUJFWSA-N 1 2 280.368 0.154 20 30 CCEDLO C[C@H](NC(=O)C#CC1CC1)C1C[NH+](Cc2cncn2C)C1 ZINC001282705360 904527924 /nfs/dbraw/zinc/52/79/24/904527924.db2.gz DVGFACKDBBOBTD-LBPRGKRZSA-N 1 2 286.379 0.770 20 30 CCEDLO CC(C)[C@@H](F)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282733923 904529344 /nfs/dbraw/zinc/52/93/44/904529344.db2.gz JXLWMGBIKIVTGG-ZWNOBZJWSA-N 1 2 298.362 0.057 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001283291465 904792255 /nfs/dbraw/zinc/79/22/55/904792255.db2.gz MRZLIZNNYWZSPG-QWHCGFSZSA-N 1 2 292.383 0.964 20 30 CCEDLO CCN(CCC#N)C(=O)C[NH+]1CC(CNC(=O)C(C)C)C1 ZINC001377961284 905281252 /nfs/dbraw/zinc/28/12/52/905281252.db2.gz KXWRUYKLCRCDIE-UHFFFAOYSA-N 1 2 294.399 0.453 20 30 CCEDLO CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001377961587 905281350 /nfs/dbraw/zinc/28/13/50/905281350.db2.gz WYDOVTTUSWZLQU-MNOVXSKESA-N 1 2 280.372 0.109 20 30 CCEDLO CC(C)(C)[C@@H](CNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001284614439 905397923 /nfs/dbraw/zinc/39/79/23/905397923.db2.gz QXAZAESIJZLYMU-GFCCVEGCSA-N 1 2 277.372 0.917 20 30 CCEDLO C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001295176412 906691009 /nfs/dbraw/zinc/69/10/09/906691009.db2.gz GRVSPQRMUIUHDU-TXEJJXNPSA-N 1 2 290.367 0.990 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001381520017 907267152 /nfs/dbraw/zinc/26/71/52/907267152.db2.gz QOTQVAMDCZTRKN-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001381520017 907267166 /nfs/dbraw/zinc/26/71/66/907267166.db2.gz QOTQVAMDCZTRKN-NSHDSACASA-N 1 2 285.779 0.857 20 30 CCEDLO CC#CCCCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001298847832 907341736 /nfs/dbraw/zinc/34/17/36/907341736.db2.gz CHYJRSOBCRMNGE-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C#CCCCC(=O)NCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001492335494 907855875 /nfs/dbraw/zinc/85/58/75/907855875.db2.gz CSGPNUJKSABRPZ-UHFFFAOYSA-N 1 2 290.367 0.720 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(CC)nn1 ZINC001492473008 907939166 /nfs/dbraw/zinc/93/91/66/907939166.db2.gz DADWQBFIBQXTOC-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(CC)nn1 ZINC001492473008 907939180 /nfs/dbraw/zinc/93/91/80/907939180.db2.gz DADWQBFIBQXTOC-UHFFFAOYSA-N 1 2 271.752 0.712 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001384416975 908227063 /nfs/dbraw/zinc/22/70/63/908227063.db2.gz RWMGPHDNBCPONX-GHMZBOCLSA-N 1 2 289.339 0.171 20 30 CCEDLO C#CC[N@H+](CC)CCNC(=O)c1[nH]nc2c1CCC2 ZINC001317481211 908487003 /nfs/dbraw/zinc/48/70/03/908487003.db2.gz HXKFGAXAXOJTQL-UHFFFAOYSA-N 1 2 260.341 0.583 20 30 CCEDLO C#CC[N@@H+](CC)CCNC(=O)c1[nH]nc2c1CCC2 ZINC001317481211 908487010 /nfs/dbraw/zinc/48/70/10/908487010.db2.gz HXKFGAXAXOJTQL-UHFFFAOYSA-N 1 2 260.341 0.583 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316775796 908770037 /nfs/dbraw/zinc/77/00/37/908770037.db2.gz KSWBUEMNULAKGN-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001316775796 908770048 /nfs/dbraw/zinc/77/00/48/908770048.db2.gz KSWBUEMNULAKGN-NEPJUHHUSA-N 1 2 280.372 0.395 20 30 CCEDLO N#CCNC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317154294 909017808 /nfs/dbraw/zinc/01/78/08/909017808.db2.gz NKQIEOLSTRMLPR-ZDUSSCGKSA-N 1 2 275.356 0.625 20 30 CCEDLO C[N@H+](CCNC(=O)c1ccsc1)CC(=O)NCC#N ZINC001317436338 909198481 /nfs/dbraw/zinc/19/84/81/909198481.db2.gz HQWXZIUQNIERDT-UHFFFAOYSA-N 1 2 280.353 0.049 20 30 CCEDLO C[N@@H+](CCNC(=O)c1ccsc1)CC(=O)NCC#N ZINC001317436338 909198487 /nfs/dbraw/zinc/19/84/87/909198487.db2.gz HQWXZIUQNIERDT-UHFFFAOYSA-N 1 2 280.353 0.049 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001317493531 909261200 /nfs/dbraw/zinc/26/12/00/909261200.db2.gz AWTZSQGOHNGSLU-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001317493531 909261212 /nfs/dbraw/zinc/26/12/12/909261212.db2.gz AWTZSQGOHNGSLU-NWDGAFQWSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001317498361 909267940 /nfs/dbraw/zinc/26/79/40/909267940.db2.gz RGHWJIPYBMDVMG-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001317498361 909267953 /nfs/dbraw/zinc/26/79/53/909267953.db2.gz RGHWJIPYBMDVMG-VXGBXAGGSA-N 1 2 283.372 0.034 20 30 CCEDLO C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001317507572 909272007 /nfs/dbraw/zinc/27/20/07/909272007.db2.gz CKRIAVLWFBUCJF-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001317507572 909272022 /nfs/dbraw/zinc/27/20/22/909272022.db2.gz CKRIAVLWFBUCJF-LLVKDONJSA-N 1 2 296.346 0.946 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001388045480 909360216 /nfs/dbraw/zinc/36/02/16/909360216.db2.gz INACBCLFDIDMJQ-NSHDSACASA-N 1 2 277.328 0.007 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cnon2)cn1 ZINC001317650578 909448064 /nfs/dbraw/zinc/44/80/64/909448064.db2.gz LJWUKYWVIUNWDL-UHFFFAOYSA-N 1 2 285.307 0.308 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317933559 909543992 /nfs/dbraw/zinc/54/39/92/909543992.db2.gz BOSLWMIELIFSDB-LLVKDONJSA-N 1 2 253.346 0.409 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317933559 909544004 /nfs/dbraw/zinc/54/40/04/909544004.db2.gz BOSLWMIELIFSDB-LLVKDONJSA-N 1 2 253.346 0.409 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001317956714 909551966 /nfs/dbraw/zinc/55/19/66/909551966.db2.gz LXERFVJGWDPXGI-NEPJUHHUSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001317956714 909551977 /nfs/dbraw/zinc/55/19/77/909551977.db2.gz LXERFVJGWDPXGI-NEPJUHHUSA-N 1 2 297.374 0.453 20 30 CCEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001317969301 909554350 /nfs/dbraw/zinc/55/43/50/909554350.db2.gz SQTSPJJSIQIXIG-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001317969301 909554360 /nfs/dbraw/zinc/55/43/60/909554360.db2.gz SQTSPJJSIQIXIG-AWEZNQCLSA-N 1 2 291.395 0.459 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H](O)C(C)C)C1 ZINC001318020312 909584154 /nfs/dbraw/zinc/58/41/54/909584154.db2.gz LZOUZDUNODZAKJ-GFCCVEGCSA-N 1 2 256.346 0.006 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2ncccn2)C1 ZINC001318070992 909607029 /nfs/dbraw/zinc/60/70/29/909607029.db2.gz ICIQSIHCNXCNLH-UHFFFAOYSA-N 1 2 260.341 0.786 20 30 CCEDLO C=CCC(C)(C)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001318159665 909647639 /nfs/dbraw/zinc/64/76/39/909647639.db2.gz VSFWZJPIDDHEEI-LBPRGKRZSA-N 1 2 279.384 0.525 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC ZINC001318185097 909657885 /nfs/dbraw/zinc/65/78/85/909657885.db2.gz SIYZBJSHRYUZJW-AVGNSLFASA-N 1 2 277.368 0.210 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC ZINC001318185097 909657895 /nfs/dbraw/zinc/65/78/95/909657895.db2.gz SIYZBJSHRYUZJW-AVGNSLFASA-N 1 2 277.368 0.210 20 30 CCEDLO N#CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001318542888 909805980 /nfs/dbraw/zinc/80/59/80/909805980.db2.gz YIBGIJMDDLLCKT-UHFFFAOYSA-N 1 2 262.313 0.852 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001389446639 909899394 /nfs/dbraw/zinc/89/93/94/909899394.db2.gz FLSAPAFJQSPSCU-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001389446639 909899401 /nfs/dbraw/zinc/89/94/01/909899401.db2.gz FLSAPAFJQSPSCU-NWDGAFQWSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001319320704 910098672 /nfs/dbraw/zinc/09/86/72/910098672.db2.gz YBSAZSOXSZACIW-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO C=CCCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001319320704 910098688 /nfs/dbraw/zinc/09/86/88/910098688.db2.gz YBSAZSOXSZACIW-LBPRGKRZSA-N 1 2 256.346 0.152 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C1(CF)CCC1 ZINC001320049283 910433418 /nfs/dbraw/zinc/43/34/18/910433418.db2.gz FPKHTSNUWFXAIL-UHFFFAOYSA-N 1 2 298.362 0.156 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C1(CF)CCC1 ZINC001320049283 910433431 /nfs/dbraw/zinc/43/34/31/910433431.db2.gz FPKHTSNUWFXAIL-UHFFFAOYSA-N 1 2 298.362 0.156 20 30 CCEDLO C=CCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001320199997 910509831 /nfs/dbraw/zinc/50/98/31/910509831.db2.gz DNDRTYKLXOMWTI-GXSJLCMTSA-N 1 2 282.344 0.472 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001320325191 910608948 /nfs/dbraw/zinc/60/89/48/910608948.db2.gz NQDMIXJEZISMFO-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001320325191 910608959 /nfs/dbraw/zinc/60/89/59/910608959.db2.gz NQDMIXJEZISMFO-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)CC(N)=O ZINC001390950660 910788909 /nfs/dbraw/zinc/78/89/09/910788909.db2.gz FOKDTBZXVZVDCG-VIFPVBQESA-N 1 2 275.780 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)CC(N)=O ZINC001390950660 910788915 /nfs/dbraw/zinc/78/89/15/910788915.db2.gz FOKDTBZXVZVDCG-VIFPVBQESA-N 1 2 275.780 0.689 20 30 CCEDLO C#CCCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001321861773 911538850 /nfs/dbraw/zinc/53/88/50/911538850.db2.gz QQDQVFKMBYMLPZ-UHFFFAOYSA-N 1 2 276.340 0.309 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001322881199 912002277 /nfs/dbraw/zinc/00/22/77/912002277.db2.gz VASQBCLYJOBOJN-GFCCVEGCSA-N 1 2 267.373 0.621 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001323213607 912188554 /nfs/dbraw/zinc/18/85/54/912188554.db2.gz WNULZLJCLGCKJL-AWEZNQCLSA-N 1 2 262.353 0.937 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001323213607 912188558 /nfs/dbraw/zinc/18/85/58/912188558.db2.gz WNULZLJCLGCKJL-AWEZNQCLSA-N 1 2 262.353 0.937 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001417950903 921729265 /nfs/dbraw/zinc/72/92/65/921729265.db2.gz DLUOKYFKBJEPEQ-SNVBAGLBSA-N 1 2 273.764 0.585 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001417950903 921729278 /nfs/dbraw/zinc/72/92/78/921729278.db2.gz DLUOKYFKBJEPEQ-SNVBAGLBSA-N 1 2 273.764 0.585 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC001328220208 915035749 /nfs/dbraw/zinc/03/57/49/915035749.db2.gz IYULBSHRPUZJMN-HBNTYKKESA-N 1 2 260.297 0.275 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)nn1 ZINC001399708858 915339720 /nfs/dbraw/zinc/33/97/20/915339720.db2.gz VAUFAXRPSMSZAR-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)nn1 ZINC001399708858 915339740 /nfs/dbraw/zinc/33/97/40/915339740.db2.gz VAUFAXRPSMSZAR-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001329652678 916098648 /nfs/dbraw/zinc/09/86/48/916098648.db2.gz YFVNGNKLEPTMKS-CQSZACIVSA-N 1 2 289.379 0.625 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001329652408 916100355 /nfs/dbraw/zinc/10/03/55/916100355.db2.gz UDVXTDCGHZGLDJ-OAHLLOKOSA-N 1 2 294.395 0.114 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCc2ccoc2)C1 ZINC001329652345 916100732 /nfs/dbraw/zinc/10/07/32/916100732.db2.gz SBUCFMYQIMGWBM-UHFFFAOYSA-N 1 2 290.363 0.789 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001330148329 916434976 /nfs/dbraw/zinc/43/49/76/916434976.db2.gz QDJPEWUABUAXQJ-HIFRSBDPSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001330148329 916434998 /nfs/dbraw/zinc/43/49/98/916434998.db2.gz QDJPEWUABUAXQJ-HIFRSBDPSA-N 1 2 282.384 0.901 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330280176 916525955 /nfs/dbraw/zinc/52/59/55/916525955.db2.gz CSYSOVZTMPCRRR-GFCCVEGCSA-N 1 2 264.373 0.384 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2(O)C[NH+](CCCF)C2)[nH]1 ZINC001402324112 916955151 /nfs/dbraw/zinc/95/51/51/916955151.db2.gz GEQJVEZTJGFBFB-UHFFFAOYSA-N 1 2 280.303 0.022 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(C)o2)nn1 ZINC001331228309 917200027 /nfs/dbraw/zinc/20/00/27/917200027.db2.gz RNHYGLQDJQEGPB-SECBINFHSA-N 1 2 260.301 0.692 20 30 CCEDLO N#CCN[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001331755185 917576199 /nfs/dbraw/zinc/57/61/99/917576199.db2.gz AMTKHNUOXHIYDQ-CYBMUJFWSA-N 1 2 299.334 0.076 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001403542986 917798272 /nfs/dbraw/zinc/79/82/72/917798272.db2.gz PKBVQKVVDRWLGB-SNVBAGLBSA-N 1 2 274.748 0.740 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001403542986 917798282 /nfs/dbraw/zinc/79/82/82/917798282.db2.gz PKBVQKVVDRWLGB-SNVBAGLBSA-N 1 2 274.748 0.740 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001403634895 917866745 /nfs/dbraw/zinc/86/67/45/917866745.db2.gz GGODLIHSUOTWRW-NEPJUHHUSA-N 1 2 290.791 0.838 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001403634895 917866750 /nfs/dbraw/zinc/86/67/50/917866750.db2.gz GGODLIHSUOTWRW-NEPJUHHUSA-N 1 2 290.791 0.838 20 30 CCEDLO CC1CC(C#N)(C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC001332211067 917961103 /nfs/dbraw/zinc/96/11/03/917961103.db2.gz UEMSVMRFZBZNJM-RUETXSTFSA-N 1 2 262.313 0.510 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001404264022 918268132 /nfs/dbraw/zinc/26/81/32/918268132.db2.gz YEDLDEKUNOTJAX-RYUDHWBXSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001404264022 918268147 /nfs/dbraw/zinc/26/81/47/918268147.db2.gz YEDLDEKUNOTJAX-RYUDHWBXSA-N 1 2 299.802 0.831 20 30 CCEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001404867272 918499093 /nfs/dbraw/zinc/49/90/93/918499093.db2.gz ALWNVTKDUJWDHY-RYUDHWBXSA-N 1 2 294.399 0.355 20 30 CCEDLO N#CCN1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001333352266 918830344 /nfs/dbraw/zinc/83/03/44/918830344.db2.gz ZDTZZEBPGIQHDK-UHFFFAOYSA-N 1 2 273.340 0.614 20 30 CCEDLO N#CCN1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001333352266 918830355 /nfs/dbraw/zinc/83/03/55/918830355.db2.gz ZDTZZEBPGIQHDK-UHFFFAOYSA-N 1 2 273.340 0.614 20 30 CCEDLO COC1(OC)CC[N@H+](C[C@H](C#N)CCC#N)C[C@H]1O ZINC001333691773 919103450 /nfs/dbraw/zinc/10/34/50/919103450.db2.gz RATCLIGSSPUFAJ-NWDGAFQWSA-N 1 2 267.329 0.486 20 30 CCEDLO COC1(OC)CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1O ZINC001333691773 919103458 /nfs/dbraw/zinc/10/34/58/919103458.db2.gz RATCLIGSSPUFAJ-NWDGAFQWSA-N 1 2 267.329 0.486 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001333789784 919162863 /nfs/dbraw/zinc/16/28/63/919162863.db2.gz NOOCXIGMINKLAH-UTUOFQBUSA-N 1 2 261.325 0.965 20 30 CCEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001333789784 919162886 /nfs/dbraw/zinc/16/28/86/919162886.db2.gz NOOCXIGMINKLAH-UTUOFQBUSA-N 1 2 261.325 0.965 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001333791548 919163438 /nfs/dbraw/zinc/16/34/38/919163438.db2.gz YGIRNNQQSUGTEY-TXEJJXNPSA-N 1 2 264.325 0.311 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001333791548 919163450 /nfs/dbraw/zinc/16/34/50/919163450.db2.gz YGIRNNQQSUGTEY-TXEJJXNPSA-N 1 2 264.325 0.311 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001415720612 920812118 /nfs/dbraw/zinc/81/21/18/920812118.db2.gz NVOCFJAYIYJNML-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001415720612 920812133 /nfs/dbraw/zinc/81/21/33/920812133.db2.gz NVOCFJAYIYJNML-NSHDSACASA-N 1 2 291.355 0.467 20 30 CCEDLO C=CCCCN(CC)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC001336553973 920831523 /nfs/dbraw/zinc/83/15/23/920831523.db2.gz NIZAEDLCYOBASC-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO C[C@@H](C#N)C(=O)N(CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001415889825 920854946 /nfs/dbraw/zinc/85/49/46/920854946.db2.gz CNMMSIWUSBOGOK-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1csnn1 ZINC001418209347 921917226 /nfs/dbraw/zinc/91/72/26/921917226.db2.gz NQXPVAFPOSHUKF-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3nccn3C)n2CC)CC1 ZINC001340950255 922291555 /nfs/dbraw/zinc/29/15/55/922291555.db2.gz CJWOSWSJFMJNOM-UHFFFAOYSA-N 1 2 299.382 0.454 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001420564537 923785243 /nfs/dbraw/zinc/78/52/43/923785243.db2.gz DDCHBPVRQUTWJT-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001420564537 923785253 /nfs/dbraw/zinc/78/52/53/923785253.db2.gz DDCHBPVRQUTWJT-RYUDHWBXSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001420659408 923856546 /nfs/dbraw/zinc/85/65/46/923856546.db2.gz RKPKQCFKCYBSQG-SNVBAGLBSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001420659408 923856553 /nfs/dbraw/zinc/85/65/53/923856553.db2.gz RKPKQCFKCYBSQG-SNVBAGLBSA-N 1 2 287.747 0.428 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H](NC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001420715789 923894585 /nfs/dbraw/zinc/89/45/85/923894585.db2.gz GZHRFTVTCWIEND-KWQFWETISA-N 1 2 277.328 0.522 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001421011458 924090041 /nfs/dbraw/zinc/09/00/41/924090041.db2.gz MYVBLXPBKBXZHY-OLZOCXBDSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(C)=O ZINC001421011458 924090056 /nfs/dbraw/zinc/09/00/56/924090056.db2.gz MYVBLXPBKBXZHY-OLZOCXBDSA-N 1 2 299.802 0.940 20 30 CCEDLO N#Cc1ncc(N2CC[NH+](Cc3cn[nH]c3)CC2)nc1C#N ZINC001421240916 924234372 /nfs/dbraw/zinc/23/43/72/924234372.db2.gz DGEFOUARFMYJQQ-UHFFFAOYSA-N 1 2 294.322 0.265 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346766910 924307760 /nfs/dbraw/zinc/30/77/60/924307760.db2.gz MXXYNAWHGQUPPD-CHWSQXEVSA-N 1 2 268.405 0.838 20 30 CCEDLO C=CCCN(C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346766910 924307765 /nfs/dbraw/zinc/30/77/65/924307765.db2.gz MXXYNAWHGQUPPD-CHWSQXEVSA-N 1 2 268.405 0.838 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C#CC(C)(C)C ZINC001347541128 924474774 /nfs/dbraw/zinc/47/47/74/924474774.db2.gz COIFOHFCFSUSMG-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C#CC(C)(C)C ZINC001347541128 924474778 /nfs/dbraw/zinc/47/47/78/924474778.db2.gz COIFOHFCFSUSMG-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C#CCSCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001349347509 924938110 /nfs/dbraw/zinc/93/81/10/924938110.db2.gz NEXQLPYWSYHBKI-JTQLQIEISA-N 1 2 264.354 0.473 20 30 CCEDLO C=CCCC(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001349801905 925062109 /nfs/dbraw/zinc/06/21/09/925062109.db2.gz GWWPUJOWGNGFGB-UHFFFAOYSA-N 1 2 264.329 0.541 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC12CCC2 ZINC001349896535 925088397 /nfs/dbraw/zinc/08/83/97/925088397.db2.gz IZAKXNGDLPFNPB-VHSXEESVSA-N 1 2 252.314 0.492 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCCc1[nH+]ccn1C ZINC001350549291 925220926 /nfs/dbraw/zinc/22/09/26/925220926.db2.gz HGWNTPKRWWLPDM-UHFFFAOYSA-N 1 2 257.297 0.901 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001351131718 925366453 /nfs/dbraw/zinc/36/64/53/925366453.db2.gz DXAPVLDNUXLKHP-GHMZBOCLSA-N 1 2 265.361 0.565 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001351131718 925366446 /nfs/dbraw/zinc/36/64/46/925366446.db2.gz DXAPVLDNUXLKHP-GHMZBOCLSA-N 1 2 265.361 0.565 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1CC1 ZINC001351419208 925416109 /nfs/dbraw/zinc/41/61/09/925416109.db2.gz CGQIDSZPCQKWPZ-UHFFFAOYSA-N 1 2 295.383 0.795 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CC1 ZINC001351419208 925416117 /nfs/dbraw/zinc/41/61/17/925416117.db2.gz CGQIDSZPCQKWPZ-UHFFFAOYSA-N 1 2 295.383 0.795 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480460353 925782743 /nfs/dbraw/zinc/78/27/43/925782743.db2.gz TZDIWZXHWYCYED-QWRGUYRKSA-N 1 2 294.355 0.265 20 30 CCEDLO C#CCOCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001353531582 925864901 /nfs/dbraw/zinc/86/49/01/925864901.db2.gz PVEHZQNFMPLNBA-UHFFFAOYSA-N 1 2 275.352 0.870 20 30 CCEDLO C[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001354380183 926098257 /nfs/dbraw/zinc/09/82/57/926098257.db2.gz WFVLBWFFYSOPAC-LLVKDONJSA-N 1 2 290.367 0.623 20 30 CCEDLO C=CCCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001355510308 926274769 /nfs/dbraw/zinc/27/47/69/926274769.db2.gz BWVQOBWRHKMCDB-UHFFFAOYSA-N 1 2 264.329 0.424 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC=C)CC1 ZINC001356052607 926339635 /nfs/dbraw/zinc/33/96/35/926339635.db2.gz BCOZAPUMYJTJKZ-KGLIPLIRSA-N 1 2 296.378 0.846 20 30 CCEDLO CCc1cnc(C[NH2+]C[C@@H](O)CN(C)CCC#N)o1 ZINC001356620783 926411219 /nfs/dbraw/zinc/41/12/19/926411219.db2.gz DYBZWDABXJTTOK-LLVKDONJSA-N 1 2 266.345 0.533 20 30 CCEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001356699250 926419673 /nfs/dbraw/zinc/41/96/73/926419673.db2.gz YRMZCYNNFHUXEV-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO C=CC(C)(C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001356773016 926436416 /nfs/dbraw/zinc/43/64/16/926436416.db2.gz FQLATTCPVFAKCM-UHFFFAOYSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001421315657 926668601 /nfs/dbraw/zinc/66/86/01/926668601.db2.gz XOVSBFUPILIZOS-NWDGAFQWSA-N 1 2 290.791 0.933 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](COC)OC)C1 ZINC001421315657 926668612 /nfs/dbraw/zinc/66/86/12/926668612.db2.gz XOVSBFUPILIZOS-NWDGAFQWSA-N 1 2 290.791 0.933 20 30 CCEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nncs1 ZINC001413976328 926684938 /nfs/dbraw/zinc/68/49/38/926684938.db2.gz UXEJZIFCLMHWCB-UHFFFAOYSA-N 1 2 277.357 0.780 20 30 CCEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nncs1 ZINC001413976328 926684947 /nfs/dbraw/zinc/68/49/47/926684947.db2.gz UXEJZIFCLMHWCB-UHFFFAOYSA-N 1 2 277.357 0.780 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cncn2)C1 ZINC001421366829 926703523 /nfs/dbraw/zinc/70/35/23/926703523.db2.gz ZKVSYLLZKKXJQI-LBPRGKRZSA-N 1 2 297.790 0.953 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cncn2)C1 ZINC001421366829 926703535 /nfs/dbraw/zinc/70/35/35/926703535.db2.gz ZKVSYLLZKKXJQI-LBPRGKRZSA-N 1 2 297.790 0.953 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001422544902 927358515 /nfs/dbraw/zinc/35/85/15/927358515.db2.gz DBTXSNZYXRIHSL-MRVPVSSYSA-N 1 2 271.752 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001422544902 927358529 /nfs/dbraw/zinc/35/85/29/927358529.db2.gz DBTXSNZYXRIHSL-MRVPVSSYSA-N 1 2 271.752 0.916 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C#N)nc1 ZINC001363143342 928917641 /nfs/dbraw/zinc/91/76/41/928917641.db2.gz MNQDEGRVZFVRNA-NSHDSACASA-N 1 2 271.280 0.150 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)N(C)CCC#N ZINC001363213446 928981588 /nfs/dbraw/zinc/98/15/88/928981588.db2.gz VQZFGFRTFCKCEV-LBPRGKRZSA-N 1 2 299.371 0.258 20 30 CCEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC001363213446 928981598 /nfs/dbraw/zinc/98/15/98/928981598.db2.gz VQZFGFRTFCKCEV-LBPRGKRZSA-N 1 2 299.371 0.258 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001429286176 929427087 /nfs/dbraw/zinc/42/70/87/929427087.db2.gz LRKIFRUFIMOIMU-WDEREUQCSA-N 1 2 291.355 0.323 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001429286176 929427090 /nfs/dbraw/zinc/42/70/90/929427090.db2.gz LRKIFRUFIMOIMU-WDEREUQCSA-N 1 2 291.355 0.323 20 30 CCEDLO N#Cc1ccc(NCC(=O)N2CC(n3cc[nH+]c3)C2)nc1 ZINC001444204274 929807403 /nfs/dbraw/zinc/80/74/03/929807403.db2.gz JDFMXPNCAVAHFX-UHFFFAOYSA-N 1 2 282.307 0.645 20 30 CCEDLO CC(C)c1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)o1 ZINC001445356522 930112973 /nfs/dbraw/zinc/11/29/73/930112973.db2.gz OIIZMNCFYIQNPC-NXEZZACHSA-N 1 2 279.344 0.947 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001373387275 930167365 /nfs/dbraw/zinc/16/73/65/930167365.db2.gz XPWVJDLPRKDVAH-LLVKDONJSA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001373387275 930167368 /nfs/dbraw/zinc/16/73/68/930167368.db2.gz XPWVJDLPRKDVAH-LLVKDONJSA-N 1 2 287.791 0.975 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001373583872 930253065 /nfs/dbraw/zinc/25/30/65/930253065.db2.gz PSJWRFCIHKSMRQ-NSHDSACASA-N 1 2 273.764 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001373583872 930253070 /nfs/dbraw/zinc/25/30/70/930253070.db2.gz PSJWRFCIHKSMRQ-NSHDSACASA-N 1 2 273.764 0.408 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001373670155 930289869 /nfs/dbraw/zinc/28/98/69/930289869.db2.gz PYIYXQOFRMNOLI-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001373670155 930289877 /nfs/dbraw/zinc/28/98/77/930289877.db2.gz PYIYXQOFRMNOLI-AAEUAGOBSA-N 1 2 292.383 0.205 20 30 CCEDLO CCCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H](C)C#N ZINC001374161712 930439979 /nfs/dbraw/zinc/43/99/79/930439979.db2.gz IJKDAJRGGAIGQY-LLVKDONJSA-N 1 2 291.355 0.467 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001451234196 931403181 /nfs/dbraw/zinc/40/31/81/931403181.db2.gz QZYUKIVNEHCESI-ZJUUUORDSA-N 1 2 277.328 0.075 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078254 349449932 /nfs/dbraw/zinc/44/99/32/349449932.db2.gz JKCFMEUSPSGFAQ-SECBINFHSA-N 1 2 277.328 0.168 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078254 349449934 /nfs/dbraw/zinc/44/99/34/349449934.db2.gz JKCFMEUSPSGFAQ-SECBINFHSA-N 1 2 277.328 0.168 20 30 CCEDLO C[N@H+](CCOCCO)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000337420681 214071094 /nfs/dbraw/zinc/07/10/94/214071094.db2.gz ANMYYZMGQJHOCL-ZDUSSCGKSA-N 1 2 277.324 0.025 20 30 CCEDLO C[N@@H+](CCOCCO)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000337420681 214071098 /nfs/dbraw/zinc/07/10/98/214071098.db2.gz ANMYYZMGQJHOCL-ZDUSSCGKSA-N 1 2 277.324 0.025 20 30 CCEDLO Cc1ccnc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC000273053036 192032116 /nfs/dbraw/zinc/03/21/16/192032116.db2.gz RGVVCVBTSTVMIP-GFCCVEGCSA-N 1 2 276.340 0.367 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000599665524 361779482 /nfs/dbraw/zinc/77/94/82/361779482.db2.gz SMBBUWIVEGFTLL-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000599665524 361779487 /nfs/dbraw/zinc/77/94/87/361779487.db2.gz SMBBUWIVEGFTLL-CYBMUJFWSA-N 1 2 259.309 0.634 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599634934 361764840 /nfs/dbraw/zinc/76/48/40/361764840.db2.gz GUDHQZSYDKWNBG-WMEBDMIVSA-N 1 2 257.355 0.699 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599634934 361764842 /nfs/dbraw/zinc/76/48/42/361764842.db2.gz GUDHQZSYDKWNBG-WMEBDMIVSA-N 1 2 257.355 0.699 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)CSCC#N)CCO1 ZINC000347641655 529391085 /nfs/dbraw/zinc/39/10/85/529391085.db2.gz FCFNYCVKFKBHHD-LLVKDONJSA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)CSCC#N)CCO1 ZINC000347641655 529391088 /nfs/dbraw/zinc/39/10/88/529391088.db2.gz FCFNYCVKFKBHHD-LLVKDONJSA-N 1 2 271.386 0.470 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000097059221 349626184 /nfs/dbraw/zinc/62/61/84/349626184.db2.gz JFVAGWVUVFPEHQ-LBPRGKRZSA-N 1 2 269.389 0.820 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000097059221 349626187 /nfs/dbraw/zinc/62/61/87/349626187.db2.gz JFVAGWVUVFPEHQ-LBPRGKRZSA-N 1 2 269.389 0.820 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682908 362033489 /nfs/dbraw/zinc/03/34/89/362033489.db2.gz OQDJKYVBCMELRO-TZMCWYRMSA-N 1 2 288.351 0.558 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682908 362033496 /nfs/dbraw/zinc/03/34/96/362033496.db2.gz OQDJKYVBCMELRO-TZMCWYRMSA-N 1 2 288.351 0.558 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001017411312 649848099 /nfs/dbraw/zinc/84/80/99/649848099.db2.gz JFEZLBNWQXZPGR-RNJOBUHISA-N 1 2 276.336 0.104 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001017411312 649848101 /nfs/dbraw/zinc/84/81/01/649848101.db2.gz JFEZLBNWQXZPGR-RNJOBUHISA-N 1 2 276.336 0.104 20 30 CCEDLO N#CC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC2(CC2)C1 ZINC000601366769 362245150 /nfs/dbraw/zinc/24/51/50/362245150.db2.gz ODUDPOIGHLYDQC-UHFFFAOYSA-N 1 2 290.367 0.008 20 30 CCEDLO N#CC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC2(CC2)C1 ZINC000601366769 362245156 /nfs/dbraw/zinc/24/51/56/362245156.db2.gz ODUDPOIGHLYDQC-UHFFFAOYSA-N 1 2 290.367 0.008 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)on1 ZINC000133036733 136389806 /nfs/dbraw/zinc/38/98/06/136389806.db2.gz CDQKFVXCUILACU-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3cscn3)C[C@H]21 ZINC000330273336 529785270 /nfs/dbraw/zinc/78/52/70/529785270.db2.gz ZBIYAYDPKKAHHX-VXGBXAGGSA-N 1 2 296.396 0.614 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3cscn3)C[C@H]21 ZINC000330273336 529785271 /nfs/dbraw/zinc/78/52/71/529785271.db2.gz ZBIYAYDPKKAHHX-VXGBXAGGSA-N 1 2 296.396 0.614 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(CC2(C#N)CC2)CCO1 ZINC000331371707 529824587 /nfs/dbraw/zinc/82/45/87/529824587.db2.gz GNSZADPVHHNDBP-LLVKDONJSA-N 1 2 266.345 0.458 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(CC2(C#N)CC2)CCO1 ZINC000331371707 529824589 /nfs/dbraw/zinc/82/45/89/529824589.db2.gz GNSZADPVHHNDBP-LLVKDONJSA-N 1 2 266.345 0.458 20 30 CCEDLO N#Cc1ccsc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128084602 187350411 /nfs/dbraw/zinc/35/04/11/187350411.db2.gz LQAVHDUNABNYLN-NSHDSACASA-N 1 2 295.364 0.043 20 30 CCEDLO CN(C[C@@H]1CCC[N@H+](CCC#N)C1)S(C)(=O)=O ZINC000352571655 529949115 /nfs/dbraw/zinc/94/91/15/529949115.db2.gz XFNIHBDWIPGLSE-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO CN(C[C@@H]1CCC[N@@H+](CCC#N)C1)S(C)(=O)=O ZINC000352571655 529949116 /nfs/dbraw/zinc/94/91/16/529949116.db2.gz XFNIHBDWIPGLSE-NSHDSACASA-N 1 2 259.375 0.503 20 30 CCEDLO N#CC1(C[C@H](O)C[NH+]2CC(OC(F)F)C2)CCOCC1 ZINC000601955672 362436541 /nfs/dbraw/zinc/43/65/41/362436541.db2.gz AIJAZAMHIZVWFT-JTQLQIEISA-N 1 2 290.310 0.981 20 30 CCEDLO N#Cc1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000355375289 136468902 /nfs/dbraw/zinc/46/89/02/136468902.db2.gz KTXNVDYPVJJLNU-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000311883321 137076144 /nfs/dbraw/zinc/07/61/44/137076144.db2.gz WMOCDEDJMGNQCE-ZDUSSCGKSA-N 1 2 263.272 0.119 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000311883321 137076145 /nfs/dbraw/zinc/07/61/45/137076145.db2.gz WMOCDEDJMGNQCE-ZDUSSCGKSA-N 1 2 263.272 0.119 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O ZINC000343717127 137152252 /nfs/dbraw/zinc/15/22/52/137152252.db2.gz RHEIWTICJFZBIB-CMPLNLGQSA-N 1 2 295.364 0.040 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O ZINC000343717127 137152253 /nfs/dbraw/zinc/15/22/53/137152253.db2.gz RHEIWTICJFZBIB-CMPLNLGQSA-N 1 2 295.364 0.040 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000027642389 348101444 /nfs/dbraw/zinc/10/14/44/348101444.db2.gz RUQRVOBOVZYNFS-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000027642389 348101445 /nfs/dbraw/zinc/10/14/45/348101445.db2.gz RUQRVOBOVZYNFS-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029529328 348113328 /nfs/dbraw/zinc/11/33/28/348113328.db2.gz KDDJQVWWLBKMNG-UHFFFAOYSA-N 1 2 290.342 0.955 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC3)CC2)c1 ZINC000025941320 348093093 /nfs/dbraw/zinc/09/30/93/348093093.db2.gz KLOJUSTWYBMLOX-UHFFFAOYSA-N 1 2 285.351 0.308 20 30 CCEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000602869786 362852785 /nfs/dbraw/zinc/85/27/85/362852785.db2.gz OTYLGHWDFIGBSS-NSHDSACASA-N 1 2 274.324 0.904 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCOC)CC1 ZINC000042565708 348285491 /nfs/dbraw/zinc/28/54/91/348285491.db2.gz BJBVMMIJUGIUJL-OAHLLOKOSA-N 1 2 295.427 0.840 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000045915046 348345839 /nfs/dbraw/zinc/34/58/39/348345839.db2.gz DEILJIDDRTTXOV-AWEZNQCLSA-N 1 2 263.385 0.638 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000045915046 348345843 /nfs/dbraw/zinc/34/58/43/348345843.db2.gz DEILJIDDRTTXOV-AWEZNQCLSA-N 1 2 263.385 0.638 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000273353897 192123071 /nfs/dbraw/zinc/12/30/71/192123071.db2.gz VOCSSOFYSFVRIV-MNOVXSKESA-N 1 2 252.318 0.508 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2C3CCC2(C(=O)OC)CC3)C1=O ZINC000602986093 362923738 /nfs/dbraw/zinc/92/37/38/362923738.db2.gz UWMVUIXKEXIYGJ-MQYJIDSJSA-N 1 2 278.352 0.943 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2C3CCC2(C(=O)OC)CC3)C1=O ZINC000602986093 362923742 /nfs/dbraw/zinc/92/37/42/362923742.db2.gz UWMVUIXKEXIYGJ-MQYJIDSJSA-N 1 2 278.352 0.943 20 30 CCEDLO N#Cc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000048598639 348418666 /nfs/dbraw/zinc/41/86/66/348418666.db2.gz MHDYLCHZTKHSNY-UHFFFAOYSA-N 1 2 297.318 0.900 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000347585496 137344091 /nfs/dbraw/zinc/34/40/91/137344091.db2.gz MGTBHHUEQVWDRY-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)CCO1 ZINC000347585496 137344092 /nfs/dbraw/zinc/34/40/92/137344092.db2.gz MGTBHHUEQVWDRY-CQSZACIVSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000347659071 137348097 /nfs/dbraw/zinc/34/80/97/137348097.db2.gz RKJAABQGMCBAGS-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000347659071 137348098 /nfs/dbraw/zinc/34/80/98/137348098.db2.gz RKJAABQGMCBAGS-CYBMUJFWSA-N 1 2 276.340 0.727 20 30 CCEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000051102515 348483780 /nfs/dbraw/zinc/48/37/80/348483780.db2.gz UAVSCCOXHIUKHI-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000051102515 348483782 /nfs/dbraw/zinc/48/37/82/348483782.db2.gz UAVSCCOXHIUKHI-CYBMUJFWSA-N 1 2 275.308 0.123 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060172 348569403 /nfs/dbraw/zinc/56/94/03/348569403.db2.gz FJKYGRDHOLGQHY-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060172 348569405 /nfs/dbraw/zinc/56/94/05/348569405.db2.gz FJKYGRDHOLGQHY-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO CNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000070791762 348897078 /nfs/dbraw/zinc/89/70/78/348897078.db2.gz QJRCPKCAKBCFHK-UHFFFAOYSA-N 1 2 258.325 0.426 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000075637119 349043984 /nfs/dbraw/zinc/04/39/84/349043984.db2.gz KAERCWNCFPPFNY-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000075637119 349043989 /nfs/dbraw/zinc/04/39/89/349043989.db2.gz KAERCWNCFPPFNY-YPMHNXCESA-N 1 2 289.335 0.118 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000075586889 349039994 /nfs/dbraw/zinc/03/99/94/349039994.db2.gz GDEGCWNELVCMLE-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)nc1 ZINC000081016160 349240279 /nfs/dbraw/zinc/24/02/79/349240279.db2.gz XWACZHUUDUCKDF-CQSZACIVSA-N 1 2 276.340 0.083 20 30 CCEDLO CCN(CCC#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000081514115 349270201 /nfs/dbraw/zinc/27/02/01/349270201.db2.gz QHJDGQFGXVJGNW-UHFFFAOYSA-N 1 2 296.415 0.449 20 30 CCEDLO NC(=O)C[N@@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000081680902 349279463 /nfs/dbraw/zinc/27/94/63/349279463.db2.gz ZLBZHLUYQUYWHS-UHFFFAOYSA-N 1 2 285.347 0.058 20 30 CCEDLO NC(=O)C[N@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000081680902 349279466 /nfs/dbraw/zinc/27/94/66/349279466.db2.gz ZLBZHLUYQUYWHS-UHFFFAOYSA-N 1 2 285.347 0.058 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000084715542 349325476 /nfs/dbraw/zinc/32/54/76/349325476.db2.gz ZDNPBJIBBUKPJD-ZDUSSCGKSA-N 1 2 294.399 0.533 20 30 CCEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C#N ZINC000135150360 350386595 /nfs/dbraw/zinc/38/65/95/350386595.db2.gz MNEGLZOFFHLEHI-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C#N ZINC000135150360 350386598 /nfs/dbraw/zinc/38/65/98/350386598.db2.gz MNEGLZOFFHLEHI-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CC2)cc1Cl ZINC000152435410 350528019 /nfs/dbraw/zinc/52/80/19/350528019.db2.gz PLUNOUVRSGBCPY-UHFFFAOYSA-N 1 2 292.726 0.758 20 30 CCEDLO Cc1ccc(C#N)c(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000161760693 350728559 /nfs/dbraw/zinc/72/85/59/350728559.db2.gz IEVAPZLZWJQQLB-CQSZACIVSA-N 1 2 290.367 0.391 20 30 CCEDLO C[C@@H](CC#N)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000161877593 350730982 /nfs/dbraw/zinc/73/09/82/350730982.db2.gz XSLXWBXYRLYIAU-NSHDSACASA-N 1 2 259.313 0.730 20 30 CCEDLO C[C@@H](CC#N)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000161877593 350730985 /nfs/dbraw/zinc/73/09/85/350730985.db2.gz XSLXWBXYRLYIAU-NSHDSACASA-N 1 2 259.313 0.730 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000163776048 350773227 /nfs/dbraw/zinc/77/32/27/350773227.db2.gz PNFDZSWTOLPCJX-QWHCGFSZSA-N 1 2 260.293 0.666 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000163776048 350773230 /nfs/dbraw/zinc/77/32/30/350773230.db2.gz PNFDZSWTOLPCJX-QWHCGFSZSA-N 1 2 260.293 0.666 20 30 CCEDLO N#Cc1cccc(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000271408170 191121413 /nfs/dbraw/zinc/12/14/13/191121413.db2.gz JXLBKLOKNNLXPH-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO N#Cc1cccc(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000271408170 191121414 /nfs/dbraw/zinc/12/14/14/191121414.db2.gz JXLBKLOKNNLXPH-UHFFFAOYSA-N 1 2 259.313 0.187 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649828 350850771 /nfs/dbraw/zinc/85/07/71/350850771.db2.gz IJONQKGMYMTMET-GFCCVEGCSA-N 1 2 275.356 0.289 20 30 CCEDLO CN1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000540902124 290915406 /nfs/dbraw/zinc/91/54/06/290915406.db2.gz AHLRQYFBGZWCBL-CQSZACIVSA-N 1 2 299.378 0.696 20 30 CCEDLO C=C(C)CN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000171927994 350944652 /nfs/dbraw/zinc/94/46/52/350944652.db2.gz RIHDTYIGBRTSAO-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO C#CC[NH+]1CCN(CN2C[C@@H](CCC)CC2=O)CC1 ZINC000173300054 351035007 /nfs/dbraw/zinc/03/50/07/351035007.db2.gz CVKJDQONTZOUGT-AWEZNQCLSA-N 1 2 263.385 0.843 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175882937 351147610 /nfs/dbraw/zinc/14/76/10/351147610.db2.gz XKMISVZNJSRMIV-CHWSQXEVSA-N 1 2 292.383 0.285 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175882937 351147611 /nfs/dbraw/zinc/14/76/11/351147611.db2.gz XKMISVZNJSRMIV-CHWSQXEVSA-N 1 2 292.383 0.285 20 30 CCEDLO Cn1ncc(C(=O)NCc2cn3ccccc3[nH+]2)c1C#N ZINC000353518285 137533642 /nfs/dbraw/zinc/53/36/42/137533642.db2.gz WNHZOUXJMCGTGU-UHFFFAOYSA-N 1 2 280.291 0.869 20 30 CCEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000175581146 351134659 /nfs/dbraw/zinc/13/46/59/351134659.db2.gz KLGBAUSFQWJJJZ-MNOVXSKESA-N 1 2 276.340 0.725 20 30 CCEDLO CC(C)(CNC(=O)c1c[nH]c(C#N)c1)[NH+]1CCOCC1 ZINC000181154559 351304835 /nfs/dbraw/zinc/30/48/35/351304835.db2.gz DUQAWEYLOLTFNR-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603358985 363086828 /nfs/dbraw/zinc/08/68/28/363086828.db2.gz ADHIHDNYGGSFRF-RYUDHWBXSA-N 1 2 282.369 0.885 20 30 CCEDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)C[C@H](C)O1 ZINC000603357769 363086839 /nfs/dbraw/zinc/08/68/39/363086839.db2.gz GBTCWTWFYAGEAR-AOOOYVTPSA-N 1 2 279.300 0.772 20 30 CCEDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(C#N)n2)C[C@H](C)O1 ZINC000603357769 363086840 /nfs/dbraw/zinc/08/68/40/363086840.db2.gz GBTCWTWFYAGEAR-AOOOYVTPSA-N 1 2 279.300 0.772 20 30 CCEDLO Cc1nc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000231803378 352134355 /nfs/dbraw/zinc/13/43/55/352134355.db2.gz FYRSUNWKROOERW-GFCCVEGCSA-N 1 2 288.307 0.779 20 30 CCEDLO Cc1cc(NC[C@H](CO)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000603400133 363111458 /nfs/dbraw/zinc/11/14/58/363111458.db2.gz KSGKITBODHFZRJ-CYBMUJFWSA-N 1 2 285.351 0.680 20 30 CCEDLO Cc1cc(N2CCN(c3nc[nH]n3)CC2)c(C#N)c[nH+]1 ZINC000603399613 363111537 /nfs/dbraw/zinc/11/15/37/363111537.db2.gz DHIIGRLEGSXHOA-UHFFFAOYSA-N 1 2 269.312 0.706 20 30 CCEDLO N#Cc1csc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000267960019 352799561 /nfs/dbraw/zinc/79/95/61/352799561.db2.gz IKONOLFTOPDTIX-UHFFFAOYSA-N 1 2 265.338 0.370 20 30 CCEDLO CC#CCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000274419125 353127733 /nfs/dbraw/zinc/12/77/33/353127733.db2.gz TUKKDDGOAKDJLU-UHFFFAOYSA-N 1 2 265.357 0.118 20 30 CCEDLO CC#CCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000274419125 353127735 /nfs/dbraw/zinc/12/77/35/353127735.db2.gz TUKKDDGOAKDJLU-UHFFFAOYSA-N 1 2 265.357 0.118 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000153362243 188078216 /nfs/dbraw/zinc/07/82/16/188078216.db2.gz BFYWYPGUSFGVNX-JTQLQIEISA-N 1 2 279.344 0.252 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000156612956 188272922 /nfs/dbraw/zinc/27/29/22/188272922.db2.gz ZVSJUYRHJVEPIP-UHFFFAOYSA-N 1 2 287.363 0.885 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](C)CCOCCO)c(C#N)c1C ZINC000282256898 353407681 /nfs/dbraw/zinc/40/76/81/353407681.db2.gz CLNWOAPYQRYDKA-UHFFFAOYSA-N 1 2 295.339 0.647 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOCCO)c(C#N)c1C ZINC000282256898 353407683 /nfs/dbraw/zinc/40/76/83/353407683.db2.gz CLNWOAPYQRYDKA-UHFFFAOYSA-N 1 2 295.339 0.647 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2ccnc(C#N)c2)CC1 ZINC000283397990 353505490 /nfs/dbraw/zinc/50/54/90/353505490.db2.gz ACELFKODZVZNRM-UHFFFAOYSA-N 1 2 273.340 0.529 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000286672027 353603319 /nfs/dbraw/zinc/60/33/19/353603319.db2.gz PNKKVPSVVKSUCG-VIFPVBQESA-N 1 2 280.309 0.715 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295422390 353893073 /nfs/dbraw/zinc/89/30/73/353893073.db2.gz CNXCZSKCYDJOSW-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295422390 353893075 /nfs/dbraw/zinc/89/30/75/353893075.db2.gz CNXCZSKCYDJOSW-NSHDSACASA-N 1 2 269.345 0.451 20 30 CCEDLO Cc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc1C#N ZINC000302657928 354083942 /nfs/dbraw/zinc/08/39/42/354083942.db2.gz OIZOQPVJIPSEGM-ZDUSSCGKSA-N 1 2 290.367 0.391 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCn2cncc2C1 ZINC000329682692 354259225 /nfs/dbraw/zinc/25/92/25/354259225.db2.gz XLXDYTNZYMKXCS-LLVKDONJSA-N 1 2 286.339 0.824 20 30 CCEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1C ZINC000330256579 354312618 /nfs/dbraw/zinc/31/26/18/354312618.db2.gz QDHGHFPTIRKSKN-SNVBAGLBSA-N 1 2 274.328 0.688 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000330225746 354309117 /nfs/dbraw/zinc/30/91/17/354309117.db2.gz UBVQKKZGXVKQGU-SNVBAGLBSA-N 1 2 250.302 0.444 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000331331327 354537799 /nfs/dbraw/zinc/53/77/99/354537799.db2.gz HOUAAMFCBJFUDW-LLVKDONJSA-N 1 2 292.339 0.652 20 30 CCEDLO CCOC(=O)c1cnn(CC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000331331327 354537801 /nfs/dbraw/zinc/53/78/01/354537801.db2.gz HOUAAMFCBJFUDW-LLVKDONJSA-N 1 2 292.339 0.652 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1F ZINC000332244410 354633586 /nfs/dbraw/zinc/63/35/86/354633586.db2.gz KDZJCIXPXNQWGL-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1F ZINC000332244410 354633587 /nfs/dbraw/zinc/63/35/87/354633587.db2.gz KDZJCIXPXNQWGL-GFCCVEGCSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1cc(F)cc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000336834553 355206867 /nfs/dbraw/zinc/20/68/67/355206867.db2.gz IDHAPWMRBALOTJ-ZDUSSCGKSA-N 1 2 280.299 0.769 20 30 CCEDLO COC(=O)c1cccc(C[N@H+](C)CCOCCO)c1C#N ZINC000558629578 291062756 /nfs/dbraw/zinc/06/27/56/291062756.db2.gz DGKWBQKYXDZHDZ-UHFFFAOYSA-N 1 2 292.335 0.786 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+](C)CCOCCO)c1C#N ZINC000558629578 291062758 /nfs/dbraw/zinc/06/27/58/291062758.db2.gz DGKWBQKYXDZHDZ-UHFFFAOYSA-N 1 2 292.335 0.786 20 30 CCEDLO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(C#N)cc1 ZINC000338371819 355334973 /nfs/dbraw/zinc/33/49/73/355334973.db2.gz WJEXOEKLJKZWDY-QMMMGPOBSA-N 1 2 269.312 0.419 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C(=O)OC)O[C@@H](C)C2)C1=O ZINC000338339724 355325617 /nfs/dbraw/zinc/32/56/17/355325617.db2.gz DIFLSKOLMACRJH-SDDRHHMPSA-N 1 2 282.340 0.036 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C(=O)OC)O[C@@H](C)C2)C1=O ZINC000338339724 355325620 /nfs/dbraw/zinc/32/56/20/355325620.db2.gz DIFLSKOLMACRJH-SDDRHHMPSA-N 1 2 282.340 0.036 20 30 CCEDLO Cc1cc(NCCCn2cc(CO)nn2)c(C#N)c[nH+]1 ZINC000425271498 235280154 /nfs/dbraw/zinc/28/01/54/235280154.db2.gz VBQPABUMMGUVFL-UHFFFAOYSA-N 1 2 272.312 0.270 20 30 CCEDLO N#CCCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343372515 355768766 /nfs/dbraw/zinc/76/87/66/355768766.db2.gz YDXXMJUAEOJOJF-GFCCVEGCSA-N 1 2 251.330 0.660 20 30 CCEDLO N#CCCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343372515 355768772 /nfs/dbraw/zinc/76/87/72/355768772.db2.gz YDXXMJUAEOJOJF-GFCCVEGCSA-N 1 2 251.330 0.660 20 30 CCEDLO CCOC(=O)C[N@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000342443997 355729796 /nfs/dbraw/zinc/72/97/96/355729796.db2.gz GAUKKYUGAQVIGD-UHFFFAOYSA-N 1 2 281.356 0.776 20 30 CCEDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000342443997 355729801 /nfs/dbraw/zinc/72/98/01/355729801.db2.gz GAUKKYUGAQVIGD-UHFFFAOYSA-N 1 2 281.356 0.776 20 30 CCEDLO CNC(=O)[C@@H]([NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352811827 356086899 /nfs/dbraw/zinc/08/68/99/356086899.db2.gz UVOVRDZFDYVABK-JTQLQIEISA-N 1 2 252.343 0.875 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cnc(C#N)cn2)C1 ZINC000353890813 356311254 /nfs/dbraw/zinc/31/12/54/356311254.db2.gz DAURNWHZHPEBTA-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cnc(C#N)cn2)C1 ZINC000353890813 356311256 /nfs/dbraw/zinc/31/12/56/356311256.db2.gz DAURNWHZHPEBTA-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO CN1CC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000355121957 356583563 /nfs/dbraw/zinc/58/35/63/356583563.db2.gz HSAFTRIVQKTVBL-CYBMUJFWSA-N 1 2 285.351 0.306 20 30 CCEDLO C=C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)OC ZINC000619703404 366328143 /nfs/dbraw/zinc/32/81/43/366328143.db2.gz KLPPNPMPINPBHI-CYBMUJFWSA-N 1 2 294.355 0.355 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000619718428 366338526 /nfs/dbraw/zinc/33/85/26/366338526.db2.gz LZQINIQUBMIVMI-QMTHXVAHSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccncc2)CC1 ZINC000619719892 366339733 /nfs/dbraw/zinc/33/97/33/366339733.db2.gz KVTSFIDVNKXMEC-AWEZNQCLSA-N 1 2 275.352 0.927 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H]1C ZINC000619712594 366331579 /nfs/dbraw/zinc/33/15/79/366331579.db2.gz ICLJTXVBRBPICF-NEPJUHHUSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H]1C ZINC000619712594 366331584 /nfs/dbraw/zinc/33/15/84/366331584.db2.gz ICLJTXVBRBPICF-NEPJUHHUSA-N 1 2 288.417 0.349 20 30 CCEDLO COCCN1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000407993847 357856417 /nfs/dbraw/zinc/85/64/17/357856417.db2.gz VCENACRWTDYIEH-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO COCCN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000407993847 357856420 /nfs/dbraw/zinc/85/64/20/357856420.db2.gz VCENACRWTDYIEH-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO N#CCC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493370206 358307345 /nfs/dbraw/zinc/30/73/45/358307345.db2.gz PCZMZNGERDBIQU-OWOJBTEDSA-N 1 2 273.296 0.007 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000543805273 358548955 /nfs/dbraw/zinc/54/89/55/358548955.db2.gz JXTLNGKKVKWAKX-QWRGUYRKSA-N 1 2 254.334 0.166 20 30 CCEDLO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000543805273 358548958 /nfs/dbraw/zinc/54/89/58/358548958.db2.gz JXTLNGKKVKWAKX-QWRGUYRKSA-N 1 2 254.334 0.166 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556655901 358552985 /nfs/dbraw/zinc/55/29/85/358552985.db2.gz PTHCMDMNTCWQJQ-UHFFFAOYSA-N 1 2 290.367 0.980 20 30 CCEDLO CC(C)CC(=O)NCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563219899 358557275 /nfs/dbraw/zinc/55/72/75/358557275.db2.gz AZNRNZJGCMNXGU-CQSZACIVSA-N 1 2 282.388 0.499 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)c(N)n2)CCO1 ZINC000569137049 358738843 /nfs/dbraw/zinc/73/88/43/358738843.db2.gz AIRMUJWQBZPOPM-SNVBAGLBSA-N 1 2 261.329 0.090 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)c(N)n2)CCO1 ZINC000569137049 358738844 /nfs/dbraw/zinc/73/88/44/358738844.db2.gz AIRMUJWQBZPOPM-SNVBAGLBSA-N 1 2 261.329 0.090 20 30 CCEDLO C[C@H](CCC#N)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000572163813 358927820 /nfs/dbraw/zinc/92/78/20/358927820.db2.gz BLTAEJLHRHCXNR-CHWSQXEVSA-N 1 2 278.400 0.963 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1C#N ZINC000562738055 291166158 /nfs/dbraw/zinc/16/61/58/291166158.db2.gz LGEBAELEZAJQBF-ZIAGYGMSSA-N 1 2 290.319 0.536 20 30 CCEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1C#N ZINC000562738055 291166160 /nfs/dbraw/zinc/16/61/60/291166160.db2.gz LGEBAELEZAJQBF-ZIAGYGMSSA-N 1 2 290.319 0.536 20 30 CCEDLO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000573359316 358959561 /nfs/dbraw/zinc/95/95/61/358959561.db2.gz UWCOHFKRIPFRNV-GHMZBOCLSA-N 1 2 257.359 0.843 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CC(=O)N2 ZINC000573913767 359010694 /nfs/dbraw/zinc/01/06/94/359010694.db2.gz LYVKOKLCUGIPEH-CYBMUJFWSA-N 1 2 288.351 0.799 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CC(=O)N2 ZINC000573913767 359010698 /nfs/dbraw/zinc/01/06/98/359010698.db2.gz LYVKOKLCUGIPEH-CYBMUJFWSA-N 1 2 288.351 0.799 20 30 CCEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)C(=O)OC ZINC000588978480 359355775 /nfs/dbraw/zinc/35/57/75/359355775.db2.gz VLOOABJNEYPQGI-YIYPIFLZSA-N 1 2 280.368 0.951 20 30 CCEDLO CC[N@@H+]1CCN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@@H]1C ZINC000611095578 363659225 /nfs/dbraw/zinc/65/92/25/363659225.db2.gz RWSMDKSWSWDRNY-JTQLQIEISA-N 1 2 276.344 0.272 20 30 CCEDLO CC[N@H+]1CCN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@@H]1C ZINC000611095578 363659226 /nfs/dbraw/zinc/65/92/26/363659226.db2.gz RWSMDKSWSWDRNY-JTQLQIEISA-N 1 2 276.344 0.272 20 30 CCEDLO N#Cc1cccc(C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000589497525 359388314 /nfs/dbraw/zinc/38/83/14/359388314.db2.gz IPMILUZEVAIWFO-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590698484 359509657 /nfs/dbraw/zinc/50/96/57/359509657.db2.gz LVTIXKSMWGBXSO-NEPJUHHUSA-N 1 2 271.357 0.966 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590698484 359509658 /nfs/dbraw/zinc/50/96/58/359509658.db2.gz LVTIXKSMWGBXSO-NEPJUHHUSA-N 1 2 271.357 0.966 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000591048170 359549306 /nfs/dbraw/zinc/54/93/06/359549306.db2.gz FAPHAZKNOGMUKW-XJKSGUPXSA-N 1 2 288.347 0.843 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000591048170 359549310 /nfs/dbraw/zinc/54/93/10/359549310.db2.gz FAPHAZKNOGMUKW-XJKSGUPXSA-N 1 2 288.347 0.843 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000591914958 359692681 /nfs/dbraw/zinc/69/26/81/359692681.db2.gz MQJREMJFQODNDZ-WCQYABFASA-N 1 2 277.328 0.332 20 30 CCEDLO CNC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592059823 359745046 /nfs/dbraw/zinc/74/50/46/359745046.db2.gz YMIVJUKGSBDINI-UHFFFAOYSA-N 1 2 258.325 0.911 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149228 359769699 /nfs/dbraw/zinc/76/96/99/359769699.db2.gz LFBZGBMFBDAONR-QMTHXVAHSA-N 1 2 296.371 0.350 20 30 CCEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149228 359769702 /nfs/dbraw/zinc/76/97/02/359769702.db2.gz LFBZGBMFBDAONR-QMTHXVAHSA-N 1 2 296.371 0.350 20 30 CCEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000592390723 359831251 /nfs/dbraw/zinc/83/12/51/359831251.db2.gz NOTCNRAHNMKJCL-ZDUSSCGKSA-N 1 2 297.355 0.880 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592497924 359861069 /nfs/dbraw/zinc/86/10/69/359861069.db2.gz JEGWQWHXQPFNDW-GFCCVEGCSA-N 1 2 284.323 0.311 20 30 CCEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592497924 359861072 /nfs/dbraw/zinc/86/10/72/359861072.db2.gz JEGWQWHXQPFNDW-GFCCVEGCSA-N 1 2 284.323 0.311 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn2cccnc12 ZINC000593155605 360048556 /nfs/dbraw/zinc/04/85/56/360048556.db2.gz JVIZQMMTUIDRAD-ZDUSSCGKSA-N 1 2 272.312 0.303 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593088886 360033169 /nfs/dbraw/zinc/03/31/69/360033169.db2.gz MXQYEGHCYIVQJZ-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593088886 360033173 /nfs/dbraw/zinc/03/31/73/360033173.db2.gz MXQYEGHCYIVQJZ-NSHDSACASA-N 1 2 281.356 0.642 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093333 360035067 /nfs/dbraw/zinc/03/50/67/360035067.db2.gz DWPFPAIXOKRTRS-UKQQZGDDSA-N 1 2 283.397 0.246 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593093333 360035069 /nfs/dbraw/zinc/03/50/69/360035069.db2.gz DWPFPAIXOKRTRS-UKQQZGDDSA-N 1 2 283.397 0.246 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120683 360044446 /nfs/dbraw/zinc/04/44/46/360044446.db2.gz GCHYGCUBODUHRT-UHFFFAOYSA-N 1 2 272.308 0.720 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120683 360044449 /nfs/dbraw/zinc/04/44/49/360044449.db2.gz GCHYGCUBODUHRT-UHFFFAOYSA-N 1 2 272.308 0.720 20 30 CCEDLO CCN1C[C@@H](CNc2cc(C)[nH+]cc2C#N)CC1=O ZINC000593498952 360098886 /nfs/dbraw/zinc/09/88/86/360098886.db2.gz VLPKOBVEMDNENA-LLVKDONJSA-N 1 2 258.325 0.964 20 30 CCEDLO N#Cc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000594651203 360350779 /nfs/dbraw/zinc/35/07/79/360350779.db2.gz GQLTWRBOKBKDPE-CYBMUJFWSA-N 1 2 255.281 0.800 20 30 CCEDLO CNc1cnn(C[C@@H](O)C[N@H+](C)CCC#N)c(=O)c1Cl ZINC000594714626 360365110 /nfs/dbraw/zinc/36/51/10/360365110.db2.gz QWTHKHBEJHWWDH-VIFPVBQESA-N 1 2 299.762 0.145 20 30 CCEDLO CNc1cnn(C[C@@H](O)C[N@@H+](C)CCC#N)c(=O)c1Cl ZINC000594714626 360365115 /nfs/dbraw/zinc/36/51/15/360365115.db2.gz QWTHKHBEJHWWDH-VIFPVBQESA-N 1 2 299.762 0.145 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595123826 360441816 /nfs/dbraw/zinc/44/18/16/360441816.db2.gz FIWOEAKITYMPFI-AWEZNQCLSA-N 1 2 289.339 0.141 20 30 CCEDLO CCN([C@H](C)C#N)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000595355716 360505799 /nfs/dbraw/zinc/50/57/99/360505799.db2.gz CIZFASKVGBBWGJ-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552165 360577075 /nfs/dbraw/zinc/57/70/75/360577075.db2.gz PBRBMCLCWXRFIQ-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595552165 360577076 /nfs/dbraw/zinc/57/70/76/360577076.db2.gz PBRBMCLCWXRFIQ-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)C(C)C ZINC000595623931 360602120 /nfs/dbraw/zinc/60/21/20/360602120.db2.gz ZAQWDGYRSPDSPX-OCCSQVGLSA-N 1 2 295.383 0.926 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)C(C)C ZINC000595623931 360602122 /nfs/dbraw/zinc/60/21/22/360602122.db2.gz ZAQWDGYRSPDSPX-OCCSQVGLSA-N 1 2 295.383 0.926 20 30 CCEDLO CO[C@@]1(CO)CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000595659847 360608468 /nfs/dbraw/zinc/60/84/68/360608468.db2.gz QCRVVSDQCQMZSN-AWEZNQCLSA-N 1 2 261.325 0.927 20 30 CCEDLO CO[C@@]1(CO)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000595659847 360608471 /nfs/dbraw/zinc/60/84/71/360608471.db2.gz QCRVVSDQCQMZSN-AWEZNQCLSA-N 1 2 261.325 0.927 20 30 CCEDLO CO[C@]1(CO)CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000595659849 360608654 /nfs/dbraw/zinc/60/86/54/360608654.db2.gz QCRVVSDQCQMZSN-CQSZACIVSA-N 1 2 261.325 0.927 20 30 CCEDLO CO[C@]1(CO)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000595659849 360608657 /nfs/dbraw/zinc/60/86/57/360608657.db2.gz QCRVVSDQCQMZSN-CQSZACIVSA-N 1 2 261.325 0.927 20 30 CCEDLO CC[C@@H]([NH2+]CC(=O)NCC#N)c1nnc2n1CCCCC2 ZINC000595799090 360657247 /nfs/dbraw/zinc/65/72/47/360657247.db2.gz CQNUHQUELSDMOC-LLVKDONJSA-N 1 2 290.371 0.685 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595829403 360669359 /nfs/dbraw/zinc/66/93/59/360669359.db2.gz QEALIEWTGVFVEH-NWDGAFQWSA-N 1 2 266.341 0.658 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595829403 360669363 /nfs/dbraw/zinc/66/93/63/360669363.db2.gz QEALIEWTGVFVEH-NWDGAFQWSA-N 1 2 266.341 0.658 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595836238 360674779 /nfs/dbraw/zinc/67/47/79/360674779.db2.gz WBUWZOCMROIKSR-HNNXBMFYSA-N 1 2 293.367 0.634 20 30 CCEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595836238 360674781 /nfs/dbraw/zinc/67/47/81/360674781.db2.gz WBUWZOCMROIKSR-HNNXBMFYSA-N 1 2 293.367 0.634 20 30 CCEDLO N#Cc1ccc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178632041 189132794 /nfs/dbraw/zinc/13/27/94/189132794.db2.gz REOWKVNKLGENCI-HNNXBMFYSA-N 1 2 284.363 0.217 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1cc(C#N)cnn1 ZINC000596110991 360797782 /nfs/dbraw/zinc/79/77/82/360797782.db2.gz SZVKNJBXKNBQRE-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1cc(C#N)cnn1 ZINC000596110991 360797786 /nfs/dbraw/zinc/79/77/86/360797786.db2.gz SZVKNJBXKNBQRE-UHFFFAOYSA-N 1 2 261.329 0.293 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CCOCC1 ZINC000597160830 361018461 /nfs/dbraw/zinc/01/84/61/361018461.db2.gz MQRQDHWIGWYJTL-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CCOCC1 ZINC000597160830 361018464 /nfs/dbraw/zinc/01/84/64/361018464.db2.gz MQRQDHWIGWYJTL-ZDUSSCGKSA-N 1 2 295.383 0.534 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597380748 361078592 /nfs/dbraw/zinc/07/85/92/361078592.db2.gz XZGJRRXJYBXGAB-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597380746 361078891 /nfs/dbraw/zinc/07/88/91/361078891.db2.gz XZGJRRXJYBXGAB-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO N#C[C@@H](CO)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597738989 361219960 /nfs/dbraw/zinc/21/99/60/361219960.db2.gz SMNZAQNHRBCOSD-STQMWFEESA-N 1 2 284.319 0.932 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000621280450 366702081 /nfs/dbraw/zinc/70/20/81/366702081.db2.gz XBXMBCNDLFSMQP-STQMWFEESA-N 1 2 280.368 0.967 20 30 CCEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000621280450 366702088 /nfs/dbraw/zinc/70/20/88/366702088.db2.gz XBXMBCNDLFSMQP-STQMWFEESA-N 1 2 280.368 0.967 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000597992800 361300975 /nfs/dbraw/zinc/30/09/75/361300975.db2.gz CXBQMJNFQOITGN-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000597992800 361300977 /nfs/dbraw/zinc/30/09/77/361300977.db2.gz CXBQMJNFQOITGN-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CSCC#N)[C@H](C)CO1 ZINC000597996340 361303648 /nfs/dbraw/zinc/30/36/48/361303648.db2.gz ISCIDKHXSHKRJX-GHMZBOCLSA-N 1 2 271.386 0.469 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSCC#N)[C@H](C)CO1 ZINC000597996340 361303656 /nfs/dbraw/zinc/30/36/56/361303656.db2.gz ISCIDKHXSHKRJX-GHMZBOCLSA-N 1 2 271.386 0.469 20 30 CCEDLO CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@@H](C)C#N ZINC000598349748 361393536 /nfs/dbraw/zinc/39/35/36/361393536.db2.gz JXQQXTMUMXKQAA-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@@H](C)C#N ZINC000598349748 361393540 /nfs/dbraw/zinc/39/35/40/361393540.db2.gz JXQQXTMUMXKQAA-NSHDSACASA-N 1 2 268.361 0.203 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598596122 361454054 /nfs/dbraw/zinc/45/40/54/361454054.db2.gz QWZYQEOAPBXDHG-RYUDHWBXSA-N 1 2 284.356 0.551 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598596122 361454057 /nfs/dbraw/zinc/45/40/57/361454057.db2.gz QWZYQEOAPBXDHG-RYUDHWBXSA-N 1 2 284.356 0.551 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCc3cnc(N)nc3C2)nc1 ZINC000598950475 361539031 /nfs/dbraw/zinc/53/90/31/361539031.db2.gz RDBVHNZIDUIFKF-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCc3cnc(N)nc3C2)nc1 ZINC000598950475 361539037 /nfs/dbraw/zinc/53/90/37/361539037.db2.gz RDBVHNZIDUIFKF-UHFFFAOYSA-N 1 2 266.308 0.714 20 30 CCEDLO COC(=O)c1ccc(NC[C@H]2COCC[N@@H+]2C)c(C#N)n1 ZINC000599161825 361592732 /nfs/dbraw/zinc/59/27/32/361592732.db2.gz WNFNXVZJVNKCPO-JTQLQIEISA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1ccc(NC[C@H]2COCC[N@H+]2C)c(C#N)n1 ZINC000599161825 361592737 /nfs/dbraw/zinc/59/27/37/361592737.db2.gz WNFNXVZJVNKCPO-JTQLQIEISA-N 1 2 290.323 0.482 20 30 CCEDLO COCCOCC[N@H+](CCO)Cc1ccncc1C#N ZINC000599541449 361731801 /nfs/dbraw/zinc/73/18/01/361731801.db2.gz LHVXSEUSHSEZEX-UHFFFAOYSA-N 1 2 279.340 0.411 20 30 CCEDLO COCCOCC[N@@H+](CCO)Cc1ccncc1C#N ZINC000599541449 361731807 /nfs/dbraw/zinc/73/18/07/361731807.db2.gz LHVXSEUSHSEZEX-UHFFFAOYSA-N 1 2 279.340 0.411 20 30 CCEDLO C[C@]1(C#N)CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000612162091 363859222 /nfs/dbraw/zinc/85/92/22/363859222.db2.gz KBSYGDCAOIBOTF-ZIAGYGMSSA-N 1 2 267.373 0.305 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000613394803 364237641 /nfs/dbraw/zinc/23/76/41/364237641.db2.gz OJMCKVPZIWFFLY-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613394803 364237643 /nfs/dbraw/zinc/23/76/43/364237643.db2.gz OJMCKVPZIWFFLY-FZMZJTMJSA-N 1 2 261.325 0.925 20 30 CCEDLO N#CC1(C[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000614741183 364716768 /nfs/dbraw/zinc/71/67/68/364716768.db2.gz RJRVPRYAUQYNJY-SNVBAGLBSA-N 1 2 274.328 0.318 20 30 CCEDLO N#CC1(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000614741183 364716774 /nfs/dbraw/zinc/71/67/74/364716774.db2.gz RJRVPRYAUQYNJY-SNVBAGLBSA-N 1 2 274.328 0.318 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615849032 365107497 /nfs/dbraw/zinc/10/74/97/365107497.db2.gz LPNATUSYNQCNAR-UTUOFQBUSA-N 1 2 261.325 0.905 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000625866943 368350618 /nfs/dbraw/zinc/35/06/18/368350618.db2.gz LPUPGXKJJYGKLH-ZDUSSCGKSA-N 1 2 277.372 0.907 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000625866943 368350625 /nfs/dbraw/zinc/35/06/25/368350625.db2.gz LPUPGXKJJYGKLH-ZDUSSCGKSA-N 1 2 277.372 0.907 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626082370 368434483 /nfs/dbraw/zinc/43/44/83/368434483.db2.gz WTMNTONRCCQKMZ-OLZOCXBDSA-N 1 2 295.383 0.152 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626082370 368434491 /nfs/dbraw/zinc/43/44/91/368434491.db2.gz WTMNTONRCCQKMZ-OLZOCXBDSA-N 1 2 295.383 0.152 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576156 369327943 /nfs/dbraw/zinc/32/79/43/369327943.db2.gz JJHCYJNISNNPBL-INIZCTEOSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576156 369327947 /nfs/dbraw/zinc/32/79/47/369327947.db2.gz JJHCYJNISNNPBL-INIZCTEOSA-N 1 2 296.411 0.931 20 30 CCEDLO C[C@@H]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000331793690 204169105 /nfs/dbraw/zinc/16/91/05/204169105.db2.gz VQYOMBOFWDBODV-NEPJUHHUSA-N 1 2 299.338 0.456 20 30 CCEDLO C=CC[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638408282 375005379 /nfs/dbraw/zinc/00/53/79/375005379.db2.gz GBJNWVQOOJURPI-STQMWFEESA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640795791 376548130 /nfs/dbraw/zinc/54/81/30/376548130.db2.gz YURVVQAYKFERAU-UHFFFAOYSA-N 1 2 288.355 0.948 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nnc3n2CCCC3)nn1 ZINC000641164533 376830140 /nfs/dbraw/zinc/83/01/40/376830140.db2.gz LWHBDFNAECBXFI-UHFFFAOYSA-N 1 2 285.355 0.367 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2ncnn2CCC)nn1 ZINC000641166175 376834192 /nfs/dbraw/zinc/83/41/92/376834192.db2.gz OQNXHDUGCLUUGV-UHFFFAOYSA-N 1 2 273.344 0.441 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000313650308 249000269 /nfs/dbraw/zinc/00/02/69/249000269.db2.gz ZJTLOJCTQSEQBP-HNNXBMFYSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000313650308 249000272 /nfs/dbraw/zinc/00/02/72/249000272.db2.gz ZJTLOJCTQSEQBP-HNNXBMFYSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1nccc(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000569414331 291676273 /nfs/dbraw/zinc/67/62/73/291676273.db2.gz SUNVYFRSQNGUGL-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO Cc1nn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)c(C#N)c1C ZINC000574771943 335046875 /nfs/dbraw/zinc/04/68/75/335046875.db2.gz ZZANAWVSROMZRJ-GHMZBOCLSA-N 1 2 290.367 0.841 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448968797 532958499 /nfs/dbraw/zinc/95/84/99/532958499.db2.gz HRCGGOABTBRQRK-UHFFFAOYSA-N 1 2 276.340 0.599 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)c(C#N)c1C ZINC000289377874 197318666 /nfs/dbraw/zinc/31/86/66/197318666.db2.gz CAOVKLADBDMKKQ-SECBINFHSA-N 1 2 295.339 0.382 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+](CCO)C[C@@H](C)O)c(C#N)c1C ZINC000289377874 197318668 /nfs/dbraw/zinc/31/86/68/197318668.db2.gz CAOVKLADBDMKKQ-SECBINFHSA-N 1 2 295.339 0.382 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C#N)CC ZINC000184351067 388773457 /nfs/dbraw/zinc/77/34/57/388773457.db2.gz MKZSGIMOAFUROJ-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C#N)CC ZINC000184351067 388773460 /nfs/dbraw/zinc/77/34/60/388773460.db2.gz MKZSGIMOAFUROJ-RYUDHWBXSA-N 1 2 253.346 0.906 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000186192030 388826802 /nfs/dbraw/zinc/82/68/02/388826802.db2.gz QVPOQAFWXGCHEU-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000186192030 388826806 /nfs/dbraw/zinc/82/68/06/388826806.db2.gz QVPOQAFWXGCHEU-ZDUSSCGKSA-N 1 2 259.309 0.553 20 30 CCEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857031 388828047 /nfs/dbraw/zinc/82/80/47/388828047.db2.gz QTIJQGGXHCSTDE-JTQLQIEISA-N 1 2 276.315 0.693 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cnc(C#N)cn1 ZINC000286321155 388839890 /nfs/dbraw/zinc/83/98/90/388839890.db2.gz KXQRRCBOYCMHEP-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000288606153 388863668 /nfs/dbraw/zinc/86/36/68/388863668.db2.gz ONHIEPMLDIYWJZ-UHFFFAOYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000288606153 388863671 /nfs/dbraw/zinc/86/36/71/388863671.db2.gz ONHIEPMLDIYWJZ-UHFFFAOYSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287029381 388847905 /nfs/dbraw/zinc/84/79/05/388847905.db2.gz SIMGGBKVYIPMOV-AWEZNQCLSA-N 1 2 270.348 0.983 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287029381 388847907 /nfs/dbraw/zinc/84/79/07/388847907.db2.gz SIMGGBKVYIPMOV-AWEZNQCLSA-N 1 2 270.348 0.983 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000291783388 388935940 /nfs/dbraw/zinc/93/59/40/388935940.db2.gz CSTOKGVDIRSPCI-UHFFFAOYSA-N 1 2 297.362 0.133 20 30 CCEDLO C=C[C@@H](CO)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000290730397 388911484 /nfs/dbraw/zinc/91/14/84/388911484.db2.gz AYMYXSBPSDEPQU-VIFPVBQESA-N 1 2 282.348 0.055 20 30 CCEDLO C=C[C@@H](CO)Nc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000290730397 388911490 /nfs/dbraw/zinc/91/14/90/388911490.db2.gz AYMYXSBPSDEPQU-VIFPVBQESA-N 1 2 282.348 0.055 20 30 CCEDLO C=C[C@@H](CO)Nc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000290730397 388911495 /nfs/dbraw/zinc/91/14/95/388911495.db2.gz AYMYXSBPSDEPQU-VIFPVBQESA-N 1 2 282.348 0.055 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000290740394 388912544 /nfs/dbraw/zinc/91/25/44/388912544.db2.gz HCHGRPANYMWRCL-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000049000926 388912989 /nfs/dbraw/zinc/91/29/89/388912989.db2.gz PFHHOXPOSFIHRH-WDEREUQCSA-N 1 2 268.361 0.948 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000049000926 388912993 /nfs/dbraw/zinc/91/29/93/388912993.db2.gz PFHHOXPOSFIHRH-WDEREUQCSA-N 1 2 268.361 0.948 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000054988751 388930494 /nfs/dbraw/zinc/93/04/94/388930494.db2.gz FNNVELUCTZNYSH-ZDUSSCGKSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000054988751 388930495 /nfs/dbraw/zinc/93/04/95/388930495.db2.gz FNNVELUCTZNYSH-ZDUSSCGKSA-N 1 2 292.383 0.492 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057876388 388933914 /nfs/dbraw/zinc/93/39/14/388933914.db2.gz DWDAVMLYUBIKFF-SNVBAGLBSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057876383 388934441 /nfs/dbraw/zinc/93/44/41/388934441.db2.gz DWDAVMLYUBIKFF-JTQLQIEISA-N 1 2 264.329 0.622 20 30 CCEDLO C#CC[N@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539358 388945404 /nfs/dbraw/zinc/94/54/04/388945404.db2.gz NSEVVUHWXUCIPW-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539358 388945408 /nfs/dbraw/zinc/94/54/08/388945408.db2.gz NSEVVUHWXUCIPW-CHWSQXEVSA-N 1 2 271.382 0.678 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C)C1 ZINC000290059397 285331554 /nfs/dbraw/zinc/33/15/54/285331554.db2.gz FAZUIINOKLWGIT-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C)C1 ZINC000290059397 285331555 /nfs/dbraw/zinc/33/15/55/285331555.db2.gz FAZUIINOKLWGIT-LLVKDONJSA-N 1 2 294.380 0.668 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336812707 389022388 /nfs/dbraw/zinc/02/23/88/389022388.db2.gz SBJPMXCXHSMVLB-SNVBAGLBSA-N 1 2 279.262 0.405 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336812707 389022390 /nfs/dbraw/zinc/02/23/90/389022390.db2.gz SBJPMXCXHSMVLB-SNVBAGLBSA-N 1 2 279.262 0.405 20 30 CCEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092007496 389026807 /nfs/dbraw/zinc/02/68/07/389026807.db2.gz CAMXETUTEVVNSC-DOMZBBRYSA-N 1 2 288.347 0.773 20 30 CCEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092007496 389026812 /nfs/dbraw/zinc/02/68/12/389026812.db2.gz CAMXETUTEVVNSC-DOMZBBRYSA-N 1 2 288.347 0.773 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301277903 389049620 /nfs/dbraw/zinc/04/96/20/389049620.db2.gz MTZQKWKIBRVMNR-GFCCVEGCSA-N 1 2 299.378 0.742 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)OC)C2CC2)C1=O ZINC000337236806 389058206 /nfs/dbraw/zinc/05/82/06/389058206.db2.gz YHZNRWCWMVSURI-RYUDHWBXSA-N 1 2 266.341 0.657 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)OC)C2CC2)C1=O ZINC000337236806 389058209 /nfs/dbraw/zinc/05/82/09/389058209.db2.gz YHZNRWCWMVSURI-RYUDHWBXSA-N 1 2 266.341 0.657 20 30 CCEDLO C#CC[NH+]1CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000301992662 389061451 /nfs/dbraw/zinc/06/14/51/389061451.db2.gz GMWXUZPRBDKFKX-UHFFFAOYSA-N 1 2 258.325 0.333 20 30 CCEDLO C[C@H](O)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000305767478 389089141 /nfs/dbraw/zinc/08/91/41/389089141.db2.gz FVYPMEFSTQAAAI-NSHDSACASA-N 1 2 253.346 0.451 20 30 CCEDLO Cc1cc(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)n1 ZINC000328901052 389143672 /nfs/dbraw/zinc/14/36/72/389143672.db2.gz YQDPZLHDIHOXCA-STQMWFEESA-N 1 2 293.371 0.157 20 30 CCEDLO Cc1cc(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)n1 ZINC000328901052 389143675 /nfs/dbraw/zinc/14/36/75/389143675.db2.gz YQDPZLHDIHOXCA-STQMWFEESA-N 1 2 293.371 0.157 20 30 CCEDLO CC(C)(CNC(=O)c1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000107432563 389096359 /nfs/dbraw/zinc/09/63/59/389096359.db2.gz LWXRBEJHRAOQHS-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000107595568 389096834 /nfs/dbraw/zinc/09/68/34/389096834.db2.gz LTOCTIGJWAIKFP-VXGBXAGGSA-N 1 2 288.351 0.792 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000108917152 389099251 /nfs/dbraw/zinc/09/92/51/389099251.db2.gz VKCWNPITGRVHIL-UHFFFAOYSA-N 1 2 274.324 0.154 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000194860618 389107374 /nfs/dbraw/zinc/10/73/74/389107374.db2.gz NHQBLZZURPKZOS-GFCCVEGCSA-N 1 2 281.356 0.289 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000194860618 389107377 /nfs/dbraw/zinc/10/73/77/389107377.db2.gz NHQBLZZURPKZOS-GFCCVEGCSA-N 1 2 281.356 0.289 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338294685 389107571 /nfs/dbraw/zinc/10/75/71/389107571.db2.gz LNMMMSCNXLVHMZ-ZDUSSCGKSA-N 1 2 293.367 0.428 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338294685 389107575 /nfs/dbraw/zinc/10/75/75/389107575.db2.gz LNMMMSCNXLVHMZ-ZDUSSCGKSA-N 1 2 293.367 0.428 20 30 CCEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(F)c1 ZINC000121393489 389148380 /nfs/dbraw/zinc/14/83/80/389148380.db2.gz OQZRBMKYZRMSJX-QMMMGPOBSA-N 1 2 269.276 0.824 20 30 CCEDLO COCC[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000117369850 389135938 /nfs/dbraw/zinc/13/59/38/389135938.db2.gz FCOZXJMZJMSBBI-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO COCC[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000117369850 389135943 /nfs/dbraw/zinc/13/59/43/389135943.db2.gz FCOZXJMZJMSBBI-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NCCCN1CCCC1=O ZINC000339766089 389138760 /nfs/dbraw/zinc/13/87/60/389138760.db2.gz NYQKFWVGFZWXPD-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NCCCN1CCCC1=O ZINC000339766089 389138761 /nfs/dbraw/zinc/13/87/61/389138761.db2.gz NYQKFWVGFZWXPD-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000339758339 389138820 /nfs/dbraw/zinc/13/88/20/389138820.db2.gz PWPXQGSMORSUGX-UHFFFAOYSA-N 1 2 287.367 0.080 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000339758339 389138821 /nfs/dbraw/zinc/13/88/21/389138821.db2.gz PWPXQGSMORSUGX-UHFFFAOYSA-N 1 2 287.367 0.080 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000339897901 389140434 /nfs/dbraw/zinc/14/04/34/389140434.db2.gz FCGHWLISQRDQJH-ZDUSSCGKSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339897900 389140555 /nfs/dbraw/zinc/14/05/55/389140555.db2.gz FCGHWLISQRDQJH-CYBMUJFWSA-N 1 2 297.399 0.104 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3C#N)C[C@@H]21 ZINC000329656874 389183715 /nfs/dbraw/zinc/18/37/15/389183715.db2.gz MSWNVDMZDXGLTK-FVCCEPFGSA-N 1 2 278.356 0.607 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3C#N)C[C@@H]21 ZINC000329656874 389183717 /nfs/dbraw/zinc/18/37/17/389183717.db2.gz MSWNVDMZDXGLTK-FVCCEPFGSA-N 1 2 278.356 0.607 20 30 CCEDLO CCNC(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000129203192 389183975 /nfs/dbraw/zinc/18/39/75/389183975.db2.gz GCJZOSHCABTASI-UHFFFAOYSA-N 1 2 292.408 0.873 20 30 CCEDLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCO1 ZINC000329801518 389202897 /nfs/dbraw/zinc/20/28/97/389202897.db2.gz JRVDUFQSKZHZMU-UTUOFQBUSA-N 1 2 254.330 0.985 20 30 CCEDLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCO1 ZINC000329801518 389202900 /nfs/dbraw/zinc/20/29/00/389202900.db2.gz JRVDUFQSKZHZMU-UTUOFQBUSA-N 1 2 254.330 0.985 20 30 CCEDLO Cc1noc(C)c1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329384233 389160391 /nfs/dbraw/zinc/16/03/91/389160391.db2.gz RMGITEYZKLISLL-GFCCVEGCSA-N 1 2 295.387 0.541 20 30 CCEDLO Cc1noc(C)c1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329384233 389160394 /nfs/dbraw/zinc/16/03/94/389160394.db2.gz RMGITEYZKLISLL-GFCCVEGCSA-N 1 2 295.387 0.541 20 30 CCEDLO Cn1nnnc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329378956 389160658 /nfs/dbraw/zinc/16/06/58/389160658.db2.gz MUADJZYHPXHSQJ-LLVKDONJSA-N 1 2 294.359 0.310 20 30 CCEDLO Cn1nnnc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329378956 389160660 /nfs/dbraw/zinc/16/06/60/389160660.db2.gz MUADJZYHPXHSQJ-LLVKDONJSA-N 1 2 294.359 0.310 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCOC1 ZINC000329384607 389161547 /nfs/dbraw/zinc/16/15/47/389161547.db2.gz PLPTUFONSKCSBE-YNEHKIRRSA-N 1 2 285.388 0.636 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCOC1 ZINC000329384607 389161550 /nfs/dbraw/zinc/16/15/50/389161550.db2.gz PLPTUFONSKCSBE-YNEHKIRRSA-N 1 2 285.388 0.636 20 30 CCEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329420684 389163490 /nfs/dbraw/zinc/16/34/90/389163490.db2.gz GXXIFHUNKGARTM-GRYCIOLGSA-N 1 2 271.361 0.340 20 30 CCEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329420684 389163492 /nfs/dbraw/zinc/16/34/92/389163492.db2.gz GXXIFHUNKGARTM-GRYCIOLGSA-N 1 2 271.361 0.340 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000329504458 389167212 /nfs/dbraw/zinc/16/72/12/389167212.db2.gz ACBKJSSWZDNDGP-QNWHQSFQSA-N 1 2 297.399 0.729 20 30 CCEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000329504458 389167215 /nfs/dbraw/zinc/16/72/15/389167215.db2.gz ACBKJSSWZDNDGP-QNWHQSFQSA-N 1 2 297.399 0.729 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000126736778 389171563 /nfs/dbraw/zinc/17/15/63/389171563.db2.gz OGWXRGGPYLPGDB-ADLMAVQZSA-N 1 2 273.402 0.447 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000126736778 389171566 /nfs/dbraw/zinc/17/15/66/389171566.db2.gz OGWXRGGPYLPGDB-ADLMAVQZSA-N 1 2 273.402 0.447 20 30 CCEDLO CN1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000329595738 389173191 /nfs/dbraw/zinc/17/31/91/389173191.db2.gz BWLBUCAXFZVSHA-LLVKDONJSA-N 1 2 289.339 0.306 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnccn1 ZINC000330616601 389246520 /nfs/dbraw/zinc/24/65/20/389246520.db2.gz DXARXTOAANQVMU-JTQLQIEISA-N 1 2 250.302 0.502 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnccn1 ZINC000330616601 389246521 /nfs/dbraw/zinc/24/65/21/389246521.db2.gz DXARXTOAANQVMU-JTQLQIEISA-N 1 2 250.302 0.502 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccn(C)c(=O)c1 ZINC000330613613 389246560 /nfs/dbraw/zinc/24/65/60/389246560.db2.gz ACZFUUNGVIHFSS-NSHDSACASA-N 1 2 279.340 0.411 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccn(C)c(=O)c1 ZINC000330613613 389246561 /nfs/dbraw/zinc/24/65/61/389246561.db2.gz ACZFUUNGVIHFSS-NSHDSACASA-N 1 2 279.340 0.411 20 30 CCEDLO CC(C)[C@H](CNC(=O)c1cnnn1C)[NH+]1CCOCC1 ZINC000330671547 389251400 /nfs/dbraw/zinc/25/14/00/389251400.db2.gz NEBMMQQCUCGHSC-NSHDSACASA-N 1 2 281.360 0.477 20 30 CCEDLO CC#CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000135016898 389252649 /nfs/dbraw/zinc/25/26/49/389252649.db2.gz WOXGRUCJHXMRFX-UHFFFAOYSA-N 1 2 288.351 0.741 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOCC23CCC3)CC1 ZINC000135503892 389258134 /nfs/dbraw/zinc/25/81/34/389258134.db2.gz DOFGHCVTJPDYEE-UHFFFAOYSA-N 1 2 291.395 0.019 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOCC23CCC3)CC1 ZINC000135503892 389258137 /nfs/dbraw/zinc/25/81/37/389258137.db2.gz DOFGHCVTJPDYEE-UHFFFAOYSA-N 1 2 291.395 0.019 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135589353 389260091 /nfs/dbraw/zinc/26/00/91/389260091.db2.gz YMDUJQGVFWYBJK-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135589353 389260094 /nfs/dbraw/zinc/26/00/94/389260094.db2.gz YMDUJQGVFWYBJK-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccc(Cl)cc1 ZINC000136073952 389264099 /nfs/dbraw/zinc/26/40/99/389264099.db2.gz DTRYPTGFFBZRFU-UHFFFAOYSA-N 1 2 285.731 0.627 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(=O)OC ZINC000361111298 389208706 /nfs/dbraw/zinc/20/87/06/389208706.db2.gz SEFVZVXFIBEHQU-WOPDTQHZSA-N 1 2 257.330 0.745 20 30 CCEDLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000329897107 389209369 /nfs/dbraw/zinc/20/93/69/389209369.db2.gz LECPWGPZPSXJCE-JTQLQIEISA-N 1 2 252.318 0.629 20 30 CCEDLO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CC2)nnn1C ZINC000329911767 389210549 /nfs/dbraw/zinc/21/05/49/389210549.db2.gz WPBXOKJQRCAOEJ-UHFFFAOYSA-N 1 2 279.344 0.293 20 30 CCEDLO CC(=O)N1CC(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329915246 389210646 /nfs/dbraw/zinc/21/06/46/389210646.db2.gz PMNYTESNSOJBFW-UHFFFAOYSA-N 1 2 281.356 0.286 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329925463 389211659 /nfs/dbraw/zinc/21/16/59/389211659.db2.gz JVHOXXWBMVTDBH-MNOVXSKESA-N 1 2 280.328 0.852 20 30 CCEDLO Cc1noc(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329925463 389211660 /nfs/dbraw/zinc/21/16/60/389211660.db2.gz JVHOXXWBMVTDBH-MNOVXSKESA-N 1 2 280.328 0.852 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000131521958 389214237 /nfs/dbraw/zinc/21/42/37/389214237.db2.gz OLBPIXXKRMPRPV-OAHLLOKOSA-N 1 2 281.400 0.861 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000131521958 389214239 /nfs/dbraw/zinc/21/42/39/389214239.db2.gz OLBPIXXKRMPRPV-OAHLLOKOSA-N 1 2 281.400 0.861 20 30 CCEDLO C=CCC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000131521958 389214241 /nfs/dbraw/zinc/21/42/41/389214241.db2.gz OLBPIXXKRMPRPV-OAHLLOKOSA-N 1 2 281.400 0.861 20 30 CCEDLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@@]2(CCOC2)O1 ZINC000329957277 389214500 /nfs/dbraw/zinc/21/45/00/389214500.db2.gz LVEBJDUSDNFLAD-BXUZGUMPSA-N 1 2 294.355 0.714 20 30 CCEDLO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330391586 389223931 /nfs/dbraw/zinc/22/39/31/389223931.db2.gz HVJSGRICKUAZGV-NSHDSACASA-N 1 2 278.356 0.783 20 30 CCEDLO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330391586 389223933 /nfs/dbraw/zinc/22/39/33/389223933.db2.gz HVJSGRICKUAZGV-NSHDSACASA-N 1 2 278.356 0.783 20 30 CCEDLO C=CCN(C1CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361809217 389224831 /nfs/dbraw/zinc/22/48/31/389224831.db2.gz KPRKEASBFASYMB-UHFFFAOYSA-N 1 2 288.413 0.689 20 30 CCEDLO CCNC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000330399592 389225116 /nfs/dbraw/zinc/22/51/16/389225116.db2.gz DEMZLUNLWZGGMM-UHFFFAOYSA-N 1 2 254.334 0.468 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330403571 389225396 /nfs/dbraw/zinc/22/53/96/389225396.db2.gz GUKDZLJNRJINOZ-CYBMUJFWSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330403571 389225399 /nfs/dbraw/zinc/22/53/99/389225399.db2.gz GUKDZLJNRJINOZ-CYBMUJFWSA-N 1 2 299.415 0.980 20 30 CCEDLO COC[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330410503 389225910 /nfs/dbraw/zinc/22/59/10/389225910.db2.gz JWBIQQGMFBQXDY-CYBMUJFWSA-N 1 2 299.415 0.980 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000330423056 389227286 /nfs/dbraw/zinc/22/72/86/389227286.db2.gz IAXXMCNSYGUPOZ-LLVKDONJSA-N 1 2 252.318 0.689 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000330423056 389227287 /nfs/dbraw/zinc/22/72/87/389227287.db2.gz IAXXMCNSYGUPOZ-LLVKDONJSA-N 1 2 252.318 0.689 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330456631 389231688 /nfs/dbraw/zinc/23/16/88/389231688.db2.gz FXYCXEQPLGMMMM-VXGBXAGGSA-N 1 2 295.314 0.593 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330456631 389231689 /nfs/dbraw/zinc/23/16/89/389231689.db2.gz FXYCXEQPLGMMMM-VXGBXAGGSA-N 1 2 295.314 0.593 20 30 CCEDLO C[C@H](CO)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330529268 389238246 /nfs/dbraw/zinc/23/82/46/389238246.db2.gz YYTGZUYTHBYGEV-NSHDSACASA-N 1 2 273.377 0.229 20 30 CCEDLO C[C@H](CO)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330529268 389238250 /nfs/dbraw/zinc/23/82/50/389238250.db2.gz YYTGZUYTHBYGEV-NSHDSACASA-N 1 2 273.377 0.229 20 30 CCEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000133919128 389240436 /nfs/dbraw/zinc/24/04/36/389240436.db2.gz SZZHDYFIICSZKI-UHFFFAOYSA-N 1 2 294.399 0.915 20 30 CCEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000133919128 389240439 /nfs/dbraw/zinc/24/04/39/389240439.db2.gz SZZHDYFIICSZKI-UHFFFAOYSA-N 1 2 294.399 0.915 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156223280 389324389 /nfs/dbraw/zinc/32/43/89/389324389.db2.gz NWPMYKLRWABRSQ-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156223280 389324394 /nfs/dbraw/zinc/32/43/94/389324394.db2.gz NWPMYKLRWABRSQ-NWDGAFQWSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264394942 389325619 /nfs/dbraw/zinc/32/56/19/389325619.db2.gz NQYCDPKRYZUQJN-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264394942 389325624 /nfs/dbraw/zinc/32/56/24/389325624.db2.gz NQYCDPKRYZUQJN-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346458812 389329536 /nfs/dbraw/zinc/32/95/36/389329536.db2.gz PWWAEHIFHJXOQF-RYUDHWBXSA-N 1 2 278.356 0.054 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346458812 389329538 /nfs/dbraw/zinc/32/95/38/389329538.db2.gz PWWAEHIFHJXOQF-RYUDHWBXSA-N 1 2 278.356 0.054 20 30 CCEDLO CCN(CC)C(=O)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346877378 389340522 /nfs/dbraw/zinc/34/05/22/389340522.db2.gz WYSKRHUYYSMBJP-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346877378 389340526 /nfs/dbraw/zinc/34/05/26/389340526.db2.gz WYSKRHUYYSMBJP-UHFFFAOYSA-N 1 2 280.372 0.349 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CCCCC#N ZINC000348274458 389372909 /nfs/dbraw/zinc/37/29/09/389372909.db2.gz BPWHEBQANMNANB-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCCC#N ZINC000348274458 389372910 /nfs/dbraw/zinc/37/29/10/389372910.db2.gz BPWHEBQANMNANB-NSHDSACASA-N 1 2 259.375 0.646 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccnn1C ZINC000348378365 389375319 /nfs/dbraw/zinc/37/53/19/389375319.db2.gz SWNGRFDZCRTUTC-LLVKDONJSA-N 1 2 275.356 0.803 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccnn1C ZINC000348378365 389375321 /nfs/dbraw/zinc/37/53/21/389375321.db2.gz SWNGRFDZCRTUTC-LLVKDONJSA-N 1 2 275.356 0.803 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000348502524 389380012 /nfs/dbraw/zinc/38/00/12/389380012.db2.gz TUGZMONYYICULE-LLVKDONJSA-N 1 2 278.312 0.396 20 30 CCEDLO C=CCOC[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000348590786 389384012 /nfs/dbraw/zinc/38/40/12/389384012.db2.gz HKESISURTVDIKW-GHMZBOCLSA-N 1 2 290.323 0.321 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348096014 389364997 /nfs/dbraw/zinc/36/49/97/389364997.db2.gz NYSNUDKGMALUFH-JGVFFNPUSA-N 1 2 281.316 0.429 20 30 CCEDLO C#CCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272638866 389469671 /nfs/dbraw/zinc/46/96/71/389469671.db2.gz XFRAAJLYJWYXCF-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000272638866 389469674 /nfs/dbraw/zinc/46/96/74/389469674.db2.gz XFRAAJLYJWYXCF-NEPJUHHUSA-N 1 2 267.325 0.826 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412080502 389474688 /nfs/dbraw/zinc/47/46/88/389474688.db2.gz RBHZFHAOHJGGPT-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412080502 389474691 /nfs/dbraw/zinc/47/46/91/389474691.db2.gz RBHZFHAOHJGGPT-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000373378209 389477857 /nfs/dbraw/zinc/47/78/57/389477857.db2.gz REZHXVFNOCKBJX-NSHDSACASA-N 1 2 273.340 0.497 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371449362 389431307 /nfs/dbraw/zinc/43/13/07/389431307.db2.gz VLLPNEYVXQMNJU-MRVPVSSYSA-N 1 2 250.327 0.640 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371449362 389431312 /nfs/dbraw/zinc/43/13/12/389431312.db2.gz VLLPNEYVXQMNJU-MRVPVSSYSA-N 1 2 250.327 0.640 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000276893763 389551083 /nfs/dbraw/zinc/55/10/83/389551083.db2.gz CFPMKLCPJKHABW-UHFFFAOYSA-N 1 2 271.364 0.730 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000276893763 389551087 /nfs/dbraw/zinc/55/10/87/389551087.db2.gz CFPMKLCPJKHABW-UHFFFAOYSA-N 1 2 271.364 0.730 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000281151189 389610266 /nfs/dbraw/zinc/61/02/66/389610266.db2.gz BICXWVAUPSJLDL-AWEZNQCLSA-N 1 2 286.379 0.991 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)C1=O ZINC000281330599 389613990 /nfs/dbraw/zinc/61/39/90/389613990.db2.gz LWTBSEKRBLQTFW-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)C1=O ZINC000281330599 389613996 /nfs/dbraw/zinc/61/39/96/389613996.db2.gz LWTBSEKRBLQTFW-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO CN(C)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1c[nH+]cn1C ZINC000424965149 389636339 /nfs/dbraw/zinc/63/63/39/389636339.db2.gz IPZSAMCKBILYCL-LOWVWBTDSA-N 1 2 275.356 0.831 20 30 CCEDLO CCC[C@@]1(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414128929 389602054 /nfs/dbraw/zinc/60/20/54/389602054.db2.gz HWIFGGJRVVEGDF-BXUZGUMPSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC[C@@]1(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414128929 389602057 /nfs/dbraw/zinc/60/20/57/389602057.db2.gz HWIFGGJRVVEGDF-BXUZGUMPSA-N 1 2 296.371 0.303 20 30 CCEDLO CC(C)[C@@]1(C)CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414158935 389603156 /nfs/dbraw/zinc/60/31/56/389603156.db2.gz XYMVUHZVHNDRPV-IUODEOHRSA-N 1 2 295.383 0.614 20 30 CCEDLO CC(C)[C@@]1(C)CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414158935 389603160 /nfs/dbraw/zinc/60/31/60/389603160.db2.gz XYMVUHZVHNDRPV-IUODEOHRSA-N 1 2 295.383 0.614 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000351944527 389721324 /nfs/dbraw/zinc/72/13/24/389721324.db2.gz LRZIIBBCQNFJFE-WCBMZHEXSA-N 1 2 265.338 0.871 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000351944527 389721328 /nfs/dbraw/zinc/72/13/28/389721328.db2.gz LRZIIBBCQNFJFE-WCBMZHEXSA-N 1 2 265.338 0.871 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(C)C)C1=O ZINC000282101329 389656532 /nfs/dbraw/zinc/65/65/32/389656532.db2.gz WBTCAVHJKVDLSZ-NSHDSACASA-N 1 2 253.346 0.230 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(C)C)C1=O ZINC000282101329 389656536 /nfs/dbraw/zinc/65/65/36/389656536.db2.gz WBTCAVHJKVDLSZ-NSHDSACASA-N 1 2 253.346 0.230 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000351804353 389686482 /nfs/dbraw/zinc/68/64/82/389686482.db2.gz AFIVEKJMBWGPEK-BXUZGUMPSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000351804353 389686484 /nfs/dbraw/zinc/68/64/84/389686484.db2.gz AFIVEKJMBWGPEK-BXUZGUMPSA-N 1 2 294.376 0.645 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000351820728 389690817 /nfs/dbraw/zinc/69/08/17/389690817.db2.gz PGNWSYSETFEGOU-CYBMUJFWSA-N 1 2 253.346 0.717 20 30 CCEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000351821035 389691066 /nfs/dbraw/zinc/69/10/66/389691066.db2.gz QHZMLEPALMBENQ-FZMZJTMJSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000351821035 389691067 /nfs/dbraw/zinc/69/10/67/389691067.db2.gz QHZMLEPALMBENQ-FZMZJTMJSA-N 1 2 294.376 0.645 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375618889 389692604 /nfs/dbraw/zinc/69/26/04/389692604.db2.gz PVNKXGHPMFOWAK-QWHCGFSZSA-N 1 2 288.413 0.687 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375618888 389692858 /nfs/dbraw/zinc/69/28/58/389692858.db2.gz PVNKXGHPMFOWAK-OLZOCXBDSA-N 1 2 288.413 0.687 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2nnc(C)n2C)cs1 ZINC000181878812 389695549 /nfs/dbraw/zinc/69/55/49/389695549.db2.gz DWHZFHMROHSRSR-UHFFFAOYSA-N 1 2 280.357 0.920 20 30 CCEDLO CCC[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000429176516 389743050 /nfs/dbraw/zinc/74/30/50/389743050.db2.gz OLGUUPCPIUPUNB-CYBMUJFWSA-N 1 2 268.361 0.238 20 30 CCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000429176516 389743053 /nfs/dbraw/zinc/74/30/53/389743053.db2.gz OLGUUPCPIUPUNB-CYBMUJFWSA-N 1 2 268.361 0.238 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352661018 389834013 /nfs/dbraw/zinc/83/40/13/389834013.db2.gz QHHPMSGNDIMDPD-TYNCELHUSA-N 1 2 294.399 0.592 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352661018 389834016 /nfs/dbraw/zinc/83/40/16/389834016.db2.gz QHHPMSGNDIMDPD-TYNCELHUSA-N 1 2 294.399 0.592 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(C)(C)C#N ZINC000433300053 389908293 /nfs/dbraw/zinc/90/82/93/389908293.db2.gz DCRWCGPVNZRGCP-VIFPVBQESA-N 1 2 266.345 0.845 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433300053 389908294 /nfs/dbraw/zinc/90/82/94/389908294.db2.gz DCRWCGPVNZRGCP-VIFPVBQESA-N 1 2 266.345 0.845 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000440951229 390047378 /nfs/dbraw/zinc/04/73/78/390047378.db2.gz MZMFVFLQMSTUJY-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000440951229 390047379 /nfs/dbraw/zinc/04/73/79/390047379.db2.gz MZMFVFLQMSTUJY-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C=CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000493071710 390118873 /nfs/dbraw/zinc/11/88/73/390118873.db2.gz PHRIIMXQBWXGRL-UFFNRZRYSA-N 1 2 295.364 0.625 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487904804 390090306 /nfs/dbraw/zinc/09/03/06/390090306.db2.gz DAPORSFUPYTKQY-UHFFFAOYSA-N 1 2 299.378 0.686 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1F ZINC000489021035 390097538 /nfs/dbraw/zinc/09/75/38/390097538.db2.gz KMLMMCVVSXTJTD-UHFFFAOYSA-N 1 2 294.311 0.872 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccn3)n2CC)CC1 ZINC000491384848 390112804 /nfs/dbraw/zinc/11/28/04/390112804.db2.gz PXFONJJTLJVDDW-UHFFFAOYSA-N 1 2 297.366 0.510 20 30 CCEDLO N#Cc1csc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000579417963 390171000 /nfs/dbraw/zinc/17/10/00/390171000.db2.gz SORXZPPKQVEUPP-GFCCVEGCSA-N 1 2 262.338 0.727 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000579417963 390171006 /nfs/dbraw/zinc/17/10/06/390171006.db2.gz SORXZPPKQVEUPP-GFCCVEGCSA-N 1 2 262.338 0.727 20 30 CCEDLO N#CCCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000537170525 390174555 /nfs/dbraw/zinc/17/45/55/390174555.db2.gz AORNBSWAUQQKJB-UHFFFAOYSA-N 1 2 270.358 0.886 20 30 CCEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000495745677 390246547 /nfs/dbraw/zinc/24/65/47/390246547.db2.gz AZDHMHQAHMVIIH-GFCCVEGCSA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000495745677 390246549 /nfs/dbraw/zinc/24/65/49/390246549.db2.gz AZDHMHQAHMVIIH-GFCCVEGCSA-N 1 2 296.371 0.615 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000582090036 390259041 /nfs/dbraw/zinc/25/90/41/390259041.db2.gz HZFOVUMDTXJCRI-UHFFFAOYSA-N 1 2 275.352 0.537 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000582090036 390259044 /nfs/dbraw/zinc/25/90/44/390259044.db2.gz HZFOVUMDTXJCRI-UHFFFAOYSA-N 1 2 275.352 0.537 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)nc1 ZINC000496087028 390297428 /nfs/dbraw/zinc/29/74/28/390297428.db2.gz OEEPCOUXAHYKTH-CYBMUJFWSA-N 1 2 272.308 0.980 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)nc1 ZINC000496087028 390297431 /nfs/dbraw/zinc/29/74/31/390297431.db2.gz OEEPCOUXAHYKTH-CYBMUJFWSA-N 1 2 272.308 0.980 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000565228720 390500990 /nfs/dbraw/zinc/50/09/90/390500990.db2.gz HSEAXNHSYACVKF-UWVGGRQHSA-N 1 2 264.329 0.882 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc(N)c1OC ZINC000565228720 390500992 /nfs/dbraw/zinc/50/09/92/390500992.db2.gz HSEAXNHSYACVKF-UWVGGRQHSA-N 1 2 264.329 0.882 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000643624129 390476648 /nfs/dbraw/zinc/47/66/48/390476648.db2.gz BPMGDWAIKSKRDI-STQMWFEESA-N 1 2 283.372 0.209 20 30 CCEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000520589720 390583873 /nfs/dbraw/zinc/58/38/73/390583873.db2.gz FHOVPOIEXLYYJV-IINYFYTJSA-N 1 2 283.372 0.924 20 30 CCEDLO CSc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C ZINC000519816656 390547038 /nfs/dbraw/zinc/54/70/38/390547038.db2.gz ABSSDEWEQWGETK-GFCCVEGCSA-N 1 2 281.385 0.716 20 30 CCEDLO C[C@H](CC(=O)N1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000566800494 390649826 /nfs/dbraw/zinc/64/98/26/390649826.db2.gz GOGSNHONRPZCMF-GFCCVEGCSA-N 1 2 261.329 0.502 20 30 CCEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000646680408 390707939 /nfs/dbraw/zinc/70/79/39/390707939.db2.gz GWFSALYMXWBKDR-WCQYABFASA-N 1 2 291.351 0.470 20 30 CCEDLO Cc1nsc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000283421163 195856248 /nfs/dbraw/zinc/85/62/48/195856248.db2.gz ATSWTRDLOFWSBO-NSHDSACASA-N 1 2 296.396 0.453 20 30 CCEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528615158 390761784 /nfs/dbraw/zinc/76/17/84/390761784.db2.gz WCEXAIVMHDSEOB-NSHDSACASA-N 1 2 271.386 0.788 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528628809 390764460 /nfs/dbraw/zinc/76/44/60/390764460.db2.gz MHNDZTUOSKCDHX-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528628809 390764464 /nfs/dbraw/zinc/76/44/64/390764464.db2.gz MHNDZTUOSKCDHX-CQSZACIVSA-N 1 2 288.351 0.688 20 30 CCEDLO Cc1noc(C)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578074066 390863065 /nfs/dbraw/zinc/86/30/65/390863065.db2.gz ITZDEJOXMBCSEH-GFCCVEGCSA-N 1 2 250.302 0.865 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531392250 390878307 /nfs/dbraw/zinc/87/83/07/390878307.db2.gz CZISHFLFAQIKIX-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531392250 390878310 /nfs/dbraw/zinc/87/83/10/390878310.db2.gz CZISHFLFAQIKIX-ZDUSSCGKSA-N 1 2 287.363 0.938 20 30 CCEDLO N#CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000577817362 390846005 /nfs/dbraw/zinc/84/60/05/390846005.db2.gz OGFLFONIHMYJTR-UHFFFAOYSA-N 1 2 268.280 0.696 20 30 CCEDLO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936017 390887944 /nfs/dbraw/zinc/88/79/44/390887944.db2.gz XKEACJUBDJAOSX-KGLIPLIRSA-N 1 2 298.346 0.484 20 30 CCEDLO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936017 390887947 /nfs/dbraw/zinc/88/79/47/390887947.db2.gz XKEACJUBDJAOSX-KGLIPLIRSA-N 1 2 298.346 0.484 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266772639 131775691 /nfs/dbraw/zinc/77/56/91/131775691.db2.gz QMYXTKFLOYPBEJ-LBPRGKRZSA-N 1 2 297.399 0.376 20 30 CCEDLO CC#CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000278785726 397441516 /nfs/dbraw/zinc/44/15/16/397441516.db2.gz HTGMBMUQVKQWOE-GFCCVEGCSA-N 1 2 273.336 0.946 20 30 CCEDLO C[N@H+](CCn1cccn1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544229 397411440 /nfs/dbraw/zinc/41/14/40/397411440.db2.gz VDBPLCPRCKNHAQ-CQSZACIVSA-N 1 2 283.335 0.913 20 30 CCEDLO C[N@@H+](CCn1cccn1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544229 397411446 /nfs/dbraw/zinc/41/14/46/397411446.db2.gz VDBPLCPRCKNHAQ-CQSZACIVSA-N 1 2 283.335 0.913 20 30 CCEDLO CC(C)(CNc1ccncc1C#N)[NH+]1CCOCC1 ZINC000548151979 286011106 /nfs/dbraw/zinc/01/11/06/286011106.db2.gz FPNAWZCSBNNWOO-UHFFFAOYSA-N 1 2 260.341 0.898 20 30 CCEDLO C[C@@H](C#N)CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000541945980 411830444 /nfs/dbraw/zinc/83/04/44/411830444.db2.gz WFHGPZKNHZMAPH-LBPRGKRZSA-N 1 2 290.371 0.407 20 30 CCEDLO C=CCCn1cc(C[N@@H+](C)CC(C)(CO)CO)nn1 ZINC000653571675 412321083 /nfs/dbraw/zinc/32/10/83/412321083.db2.gz XVXAYYCSPAMARA-UHFFFAOYSA-N 1 2 268.361 0.277 20 30 CCEDLO C=CCCn1cc(C[N@H+](C)CC(C)(CO)CO)nn1 ZINC000653571675 412321087 /nfs/dbraw/zinc/32/10/87/412321087.db2.gz XVXAYYCSPAMARA-UHFFFAOYSA-N 1 2 268.361 0.277 20 30 CCEDLO CC#CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660963674 414538976 /nfs/dbraw/zinc/53/89/76/414538976.db2.gz ALQDGBYQPZRAKR-LBPRGKRZSA-N 1 2 251.330 0.126 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661552951 414641622 /nfs/dbraw/zinc/64/16/22/414641622.db2.gz RQHQRTJVVIKNKC-IJLUTSLNSA-N 1 2 265.357 0.904 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662162891 414694745 /nfs/dbraw/zinc/69/47/45/414694745.db2.gz SREUBXFBYISRAP-GFCCVEGCSA-N 1 2 270.279 0.890 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663326629 415044844 /nfs/dbraw/zinc/04/48/44/415044844.db2.gz CWERPTDONKCIKC-UWVGGRQHSA-N 1 2 278.312 0.604 20 30 CCEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000665046026 415515227 /nfs/dbraw/zinc/51/52/27/415515227.db2.gz OYVIRQGEBPKWCC-OLZOCXBDSA-N 1 2 278.739 0.612 20 30 CCEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000665046026 415515233 /nfs/dbraw/zinc/51/52/33/415515233.db2.gz OYVIRQGEBPKWCC-OLZOCXBDSA-N 1 2 278.739 0.612 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1ccccc1OC ZINC000078489090 177346099 /nfs/dbraw/zinc/34/60/99/177346099.db2.gz BWEYLROQXARAKE-UHFFFAOYSA-N 1 2 278.352 0.792 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCO)Cc1ccccc1OC ZINC000078489090 177346100 /nfs/dbraw/zinc/34/61/00/177346100.db2.gz BWEYLROQXARAKE-UHFFFAOYSA-N 1 2 278.352 0.792 20 30 CCEDLO O=C(NCCn1cncn1)N1CC[NH+](C2CCC2)CC1 ZINC000329250888 227382989 /nfs/dbraw/zinc/38/29/89/227382989.db2.gz BFSBNWMZWDHYBX-UHFFFAOYSA-N 1 2 278.360 0.362 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2n(n1)CCCO2 ZINC000575185531 335077579 /nfs/dbraw/zinc/07/75/79/335077579.db2.gz BFWFCZCISKCSHZ-ZDUSSCGKSA-N 1 2 277.328 0.239 20 30 CCEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(CO)COC1 ZINC000330212932 228067906 /nfs/dbraw/zinc/06/79/06/228067906.db2.gz DYLMNEGNRIQVOY-MRVPVSSYSA-N 1 2 251.286 0.232 20 30 CCEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(CO)COC1 ZINC000330212932 228067908 /nfs/dbraw/zinc/06/79/08/228067908.db2.gz DYLMNEGNRIQVOY-MRVPVSSYSA-N 1 2 251.286 0.232 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407950450 260012545 /nfs/dbraw/zinc/01/25/45/260012545.db2.gz BEGSFKVCAKHFAK-AAEUAGOBSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407950450 260012547 /nfs/dbraw/zinc/01/25/47/260012547.db2.gz BEGSFKVCAKHFAK-AAEUAGOBSA-N 1 2 265.357 0.858 20 30 CCEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081410532 260182082 /nfs/dbraw/zinc/18/20/82/260182082.db2.gz LBMBSPXRMRCFAZ-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081410532 260182084 /nfs/dbraw/zinc/18/20/84/260182084.db2.gz LBMBSPXRMRCFAZ-MBNYWOFBSA-N 1 2 265.357 0.906 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)C2CC2)cs1 ZINC000049065845 260203213 /nfs/dbraw/zinc/20/32/13/260203213.db2.gz PLBRAGMXORYQCB-UHFFFAOYSA-N 1 2 282.369 0.904 20 30 CCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000088595734 260233661 /nfs/dbraw/zinc/23/36/61/260233661.db2.gz CPVPAHHZECCWGW-ZDUSSCGKSA-N 1 2 264.373 0.529 20 30 CCEDLO C=C(C)COCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360562649 261077150 /nfs/dbraw/zinc/07/71/50/261077150.db2.gz AAKABBKYIXYASK-UHFFFAOYSA-N 1 2 282.384 0.950 20 30 CCEDLO C=CCOC[C@H]([NH2+]C[C@H]1CCCOC1)C(=O)OC ZINC000361109980 261161609 /nfs/dbraw/zinc/16/16/09/261161609.db2.gz OPXXEDROEBEYKL-NEPJUHHUSA-N 1 2 257.330 0.747 20 30 CCEDLO C#CC[NH+]1CCN(CN2CC3(CCCC3)OC2=O)CC1 ZINC000490923586 261248535 /nfs/dbraw/zinc/24/85/35/261248535.db2.gz LECFVLXEAQBNED-UHFFFAOYSA-N 1 2 277.368 0.960 20 30 CCEDLO C[N@H+](CC(=O)NC(C)(C)C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007659785 261303038 /nfs/dbraw/zinc/30/30/38/261303038.db2.gz PNPWMFBFVGGOJN-HNNXBMFYSA-N 1 2 294.399 0.641 20 30 CCEDLO C[N@@H+](CC(=O)NC(C)(C)C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007659785 261303039 /nfs/dbraw/zinc/30/30/39/261303039.db2.gz PNPWMFBFVGGOJN-HNNXBMFYSA-N 1 2 294.399 0.641 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000328384440 261378922 /nfs/dbraw/zinc/37/89/22/261378922.db2.gz IEUZLJOKYWEAMZ-SNVBAGLBSA-N 1 2 257.359 0.398 20 30 CCEDLO C=CC/N=C1/NC(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000174891725 261587547 /nfs/dbraw/zinc/58/75/47/261587547.db2.gz PQXXYBMWLCCSRR-SNVBAGLBSA-N 1 2 298.412 0.218 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000491461356 261609133 /nfs/dbraw/zinc/60/91/33/261609133.db2.gz DBRYWGKROJGOIE-AWEZNQCLSA-N 1 2 286.379 0.684 20 30 CCEDLO COc1cc[nH+]c(CN2CCOC[C@H]2C#N)c1OC ZINC000190888325 262186789 /nfs/dbraw/zinc/18/67/89/262186789.db2.gz XEPOAYDNFFZMHI-SNVBAGLBSA-N 1 2 263.297 0.823 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372317512 262266525 /nfs/dbraw/zinc/26/65/25/262266525.db2.gz WZHPHYMLHXFGTG-LLVKDONJSA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000372317512 262266526 /nfs/dbraw/zinc/26/65/26/262266526.db2.gz WZHPHYMLHXFGTG-LLVKDONJSA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000336783329 262394856 /nfs/dbraw/zinc/39/48/56/262394856.db2.gz DPVQUCNAZBMFSS-SNVBAGLBSA-N 1 2 251.286 0.576 20 30 CCEDLO C=CCCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000336783329 262394857 /nfs/dbraw/zinc/39/48/57/262394857.db2.gz DPVQUCNAZBMFSS-SNVBAGLBSA-N 1 2 251.286 0.576 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000366082012 262546462 /nfs/dbraw/zinc/54/64/62/262546462.db2.gz AGIQXKLVVYQHRN-SGMGOOAPSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000366082012 262546464 /nfs/dbraw/zinc/54/64/64/262546464.db2.gz AGIQXKLVVYQHRN-SGMGOOAPSA-N 1 2 268.357 0.557 20 30 CCEDLO CCNC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272497507 263005424 /nfs/dbraw/zinc/00/54/24/263005424.db2.gz DAFSMAMGDQOHMQ-UHFFFAOYSA-N 1 2 252.318 0.458 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)CCC#N ZINC000272551620 263006569 /nfs/dbraw/zinc/00/65/69/263006569.db2.gz YZCPQZVOCBBIGA-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)CCC#N ZINC000272551620 263006570 /nfs/dbraw/zinc/00/65/70/263006570.db2.gz YZCPQZVOCBBIGA-UHFFFAOYSA-N 1 2 293.371 0.100 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccncn1 ZINC000275424541 263033326 /nfs/dbraw/zinc/03/33/26/263033326.db2.gz ZYISZHXTIIFXPQ-UHFFFAOYSA-N 1 2 289.339 0.165 20 30 CCEDLO CN(CC#N)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C ZINC000279783945 263057328 /nfs/dbraw/zinc/05/73/28/263057328.db2.gz UQHBYARFDZMWBF-AAEUAGOBSA-N 1 2 265.336 0.788 20 30 CCEDLO CN(CC#N)C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C ZINC000279783945 263057329 /nfs/dbraw/zinc/05/73/29/263057329.db2.gz UQHBYARFDZMWBF-AAEUAGOBSA-N 1 2 265.336 0.788 20 30 CCEDLO COCc1noc([C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284067051 263085751 /nfs/dbraw/zinc/08/57/51/263085751.db2.gz JXLWKICKBYPENT-HTQZYQBOSA-N 1 2 270.289 0.745 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2cnn(C)n2)c1 ZINC000289358990 263109610 /nfs/dbraw/zinc/10/96/10/263109610.db2.gz IMXRUQSWZLMGPH-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCC(=O)N(C)C)c1 ZINC000289400439 263109993 /nfs/dbraw/zinc/10/99/93/263109993.db2.gz NWXHQDXBRXTLHZ-UHFFFAOYSA-N 1 2 251.286 0.420 20 30 CCEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000340758587 263304342 /nfs/dbraw/zinc/30/43/42/263304342.db2.gz PWRIIIRYYYZEPZ-CYBMUJFWSA-N 1 2 282.388 0.059 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000341798707 263350121 /nfs/dbraw/zinc/35/01/21/263350121.db2.gz CDXDSFFKQSCOMW-MJBXVCDLSA-N 1 2 299.415 0.579 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960559551 649855728 /nfs/dbraw/zinc/85/57/28/649855728.db2.gz OLQJEIIKADSVEW-YABSGUDNSA-N 1 2 281.319 0.746 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCCO1 ZINC000328709028 263848034 /nfs/dbraw/zinc/84/80/34/263848034.db2.gz QPTDCNMCTXGEOA-LLVKDONJSA-N 1 2 257.334 0.649 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000330700742 264016811 /nfs/dbraw/zinc/01/68/11/264016811.db2.gz NKNPLGLSPOWMFA-UHFFFAOYSA-N 1 2 258.325 0.933 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330741534 264039109 /nfs/dbraw/zinc/03/91/09/264039109.db2.gz BJNHTKJMKZSGJB-JTQLQIEISA-N 1 2 284.360 0.027 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000330741534 264039110 /nfs/dbraw/zinc/03/91/10/264039110.db2.gz BJNHTKJMKZSGJB-JTQLQIEISA-N 1 2 284.360 0.027 20 30 CCEDLO Cc1cnc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000330885054 264062897 /nfs/dbraw/zinc/06/28/97/264062897.db2.gz QDRGELXANGBZPG-JTQLQIEISA-N 1 2 265.313 0.731 20 30 CCEDLO Cc1cnc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000330885054 264062899 /nfs/dbraw/zinc/06/28/99/264062899.db2.gz QDRGELXANGBZPG-JTQLQIEISA-N 1 2 265.313 0.731 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330943110 264084145 /nfs/dbraw/zinc/08/41/45/264084145.db2.gz HDWHSDLWDAQLBJ-UWVGGRQHSA-N 1 2 256.350 0.109 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330943110 264084147 /nfs/dbraw/zinc/08/41/47/264084147.db2.gz HDWHSDLWDAQLBJ-UWVGGRQHSA-N 1 2 256.350 0.109 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000330961223 264089086 /nfs/dbraw/zinc/08/90/86/264089086.db2.gz BQSKWEFPYCUJIY-GXSJLCMTSA-N 1 2 293.289 0.746 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000330961223 264089087 /nfs/dbraw/zinc/08/90/87/264089087.db2.gz BQSKWEFPYCUJIY-GXSJLCMTSA-N 1 2 293.289 0.746 20 30 CCEDLO C[C@H]1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CO1 ZINC000330986715 264103704 /nfs/dbraw/zinc/10/37/04/264103704.db2.gz LNPWJDIBUAPSKB-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO CN(Cc1ccc[nH]1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331057220 264109302 /nfs/dbraw/zinc/10/93/02/264109302.db2.gz LWOQALKKWRSGDN-LBPRGKRZSA-N 1 2 266.345 0.691 20 30 CCEDLO CN(Cc1ccc[nH]1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331057220 264109305 /nfs/dbraw/zinc/10/93/05/264109305.db2.gz LWOQALKKWRSGDN-LBPRGKRZSA-N 1 2 266.345 0.691 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000331131627 264148531 /nfs/dbraw/zinc/14/85/31/264148531.db2.gz GUNSKOCQQSDHOF-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000331131627 264148532 /nfs/dbraw/zinc/14/85/32/264148532.db2.gz GUNSKOCQQSDHOF-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)CCCC#N ZINC000331210302 264162835 /nfs/dbraw/zinc/16/28/35/264162835.db2.gz XLBSOCNDCZBRPQ-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO CN(CCCO)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331284439 264171972 /nfs/dbraw/zinc/17/19/72/264171972.db2.gz XDZCRJUPVAFLQE-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CN(CCCO)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331284439 264171974 /nfs/dbraw/zinc/17/19/74/264171974.db2.gz XDZCRJUPVAFLQE-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO Cc1cc[nH]c1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000331232793 264173177 /nfs/dbraw/zinc/17/31/77/264173177.db2.gz AYPDLAKKGWCGRC-LLVKDONJSA-N 1 2 267.329 0.321 20 30 CCEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000160829772 264261653 /nfs/dbraw/zinc/26/16/53/264261653.db2.gz DDQKYJBIOBRJQV-UHFFFAOYSA-N 1 2 289.401 0.008 20 30 CCEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161222981 264275977 /nfs/dbraw/zinc/27/59/77/264275977.db2.gz BLNFAIGKVFZPEY-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222981 264275978 /nfs/dbraw/zinc/27/59/78/264275978.db2.gz BLNFAIGKVFZPEY-AWEZNQCLSA-N 1 2 288.395 0.890 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242523 264394898 /nfs/dbraw/zinc/39/48/98/264394898.db2.gz NWTMZZBALYWKEB-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000180242523 264394899 /nfs/dbraw/zinc/39/48/99/264394899.db2.gz NWTMZZBALYWKEB-STQMWFEESA-N 1 2 297.399 0.246 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356451486 266117014 /nfs/dbraw/zinc/11/70/14/266117014.db2.gz GZZZAMQUOCGZNN-LLVKDONJSA-N 1 2 277.372 0.665 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356451486 266117016 /nfs/dbraw/zinc/11/70/16/266117016.db2.gz GZZZAMQUOCGZNN-LLVKDONJSA-N 1 2 277.372 0.665 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000368891267 267212034 /nfs/dbraw/zinc/21/20/34/267212034.db2.gz BMRGPYKXNZCQPU-SWLSCSKDSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000368891267 267212036 /nfs/dbraw/zinc/21/20/36/267212036.db2.gz BMRGPYKXNZCQPU-SWLSCSKDSA-N 1 2 294.399 0.641 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000369418189 267241804 /nfs/dbraw/zinc/24/18/04/267241804.db2.gz NIFSMAYXEURGKC-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000369418189 267241801 /nfs/dbraw/zinc/24/18/01/267241801.db2.gz NIFSMAYXEURGKC-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO Cc1cc(N[C@@H]2CCN(S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000400240615 267301536 /nfs/dbraw/zinc/30/15/36/267301536.db2.gz GDWMBSPOIPBTSH-LLVKDONJSA-N 1 2 280.353 0.129 20 30 CCEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000189132321 267954223 /nfs/dbraw/zinc/95/42/23/267954223.db2.gz LFTVYWXICSZYKL-UHFFFAOYSA-N 1 2 277.299 0.447 20 30 CCEDLO C=CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334613498 276899370 /nfs/dbraw/zinc/89/93/70/276899370.db2.gz PFCFSRWLJROKNN-RYUDHWBXSA-N 1 2 253.346 0.677 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)[NH+]1C ZINC000339075639 288240184 /nfs/dbraw/zinc/24/01/84/288240184.db2.gz RCRFDHZZLKECPB-NXEZZACHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCO1 ZINC000329028513 288710575 /nfs/dbraw/zinc/71/05/75/288710575.db2.gz WJPNJNBRUQSFIO-HZSPNIEDSA-N 1 2 297.399 0.874 20 30 CCEDLO O=C(N[C@@H]1CCc2ncnn2C1)N1CCn2cc[nH+]c2C1 ZINC000329462356 295384528 /nfs/dbraw/zinc/38/45/28/295384528.db2.gz SVSIPGNIOGLJIU-SNVBAGLBSA-N 1 2 287.327 0.219 20 30 CCEDLO C=C(C)COCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000531639513 328020304 /nfs/dbraw/zinc/02/03/04/328020304.db2.gz QJIRSODHOUKTCF-UHFFFAOYSA-N 1 2 287.323 0.985 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000563446779 328066076 /nfs/dbraw/zinc/06/60/76/328066076.db2.gz XELBJONWEXKILH-UHFFFAOYSA-N 1 2 262.313 0.569 20 30 CCEDLO C=CCN(CC=C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000563446779 328066077 /nfs/dbraw/zinc/06/60/77/328066077.db2.gz XELBJONWEXKILH-UHFFFAOYSA-N 1 2 262.313 0.569 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412440689 328111267 /nfs/dbraw/zinc/11/12/67/328111267.db2.gz DPHRFNMSQPLGIW-OAHLLOKOSA-N 1 2 297.399 0.732 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000272857111 328201047 /nfs/dbraw/zinc/20/10/47/328201047.db2.gz LKKIXENWTNZIKO-AWEZNQCLSA-N 1 2 289.335 0.536 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000272857111 328201048 /nfs/dbraw/zinc/20/10/48/328201048.db2.gz LKKIXENWTNZIKO-AWEZNQCLSA-N 1 2 289.335 0.536 20 30 CCEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000273573687 328205255 /nfs/dbraw/zinc/20/52/55/328205255.db2.gz LQJZFFHFJNQZCK-UHFFFAOYSA-N 1 2 277.324 0.737 20 30 CCEDLO Cc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1C#N ZINC000558899878 327130137 /nfs/dbraw/zinc/13/01/37/327130137.db2.gz XEIQEZPTCMCSGG-CQSZACIVSA-N 1 2 271.324 0.835 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncc(F)cc1F ZINC000564459127 327141410 /nfs/dbraw/zinc/14/14/10/327141410.db2.gz YXRVPUHGLYQNPP-LBPRGKRZSA-N 1 2 268.267 0.933 20 30 CCEDLO C[C@@H](CC(=O)N[C@](C)(C#N)CN(C)C)n1cc[nH+]c1 ZINC000566308503 327298085 /nfs/dbraw/zinc/29/80/85/327298085.db2.gz HQQGPHGOYRTPGX-WCQYABFASA-N 1 2 263.345 0.794 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566739492 327452384 /nfs/dbraw/zinc/45/23/84/327452384.db2.gz FZNXUFNRYAVUKE-RYUDHWBXSA-N 1 2 263.341 0.889 20 30 CCEDLO COc1cc(C#N)ccc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000583572463 328617316 /nfs/dbraw/zinc/61/73/16/328617316.db2.gz JFSJRPCWQUTGPT-CQSZACIVSA-N 1 2 275.308 0.301 20 30 CCEDLO C=CCC[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378407296 329049468 /nfs/dbraw/zinc/04/94/68/329049468.db2.gz UXWMOAIHCCUALM-KGLIPLIRSA-N 1 2 254.374 0.720 20 30 CCEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000172891524 329140202 /nfs/dbraw/zinc/14/02/02/329140202.db2.gz QWLQGYMGZNYQMQ-NEPJUHHUSA-N 1 2 269.345 0.094 20 30 CCEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000172891524 329140203 /nfs/dbraw/zinc/14/02/03/329140203.db2.gz QWLQGYMGZNYQMQ-NEPJUHHUSA-N 1 2 269.345 0.094 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033642 330324205 /nfs/dbraw/zinc/32/42/05/330324205.db2.gz DKXBYYJEIXCNGX-OLZOCXBDSA-N 1 2 275.356 0.920 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033642 330324206 /nfs/dbraw/zinc/32/42/06/330324206.db2.gz DKXBYYJEIXCNGX-OLZOCXBDSA-N 1 2 275.356 0.920 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000537508747 330439269 /nfs/dbraw/zinc/43/92/69/330439269.db2.gz AHSCYTHXFDATNA-LBPRGKRZSA-N 1 2 266.345 0.900 20 30 CCEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000489551909 332059010 /nfs/dbraw/zinc/05/90/10/332059010.db2.gz RJTDFMJYFXHCNY-CYBMUJFWSA-N 1 2 290.429 0.671 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)CC(=O)OC)CC1 ZINC000490761790 332113591 /nfs/dbraw/zinc/11/35/91/332113591.db2.gz WNIYIBAAJAOFER-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000490818788 332116546 /nfs/dbraw/zinc/11/65/46/332116546.db2.gz BLTUJVMJAMPUDQ-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000490818788 332116547 /nfs/dbraw/zinc/11/65/47/332116547.db2.gz BLTUJVMJAMPUDQ-CYBMUJFWSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+](CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000490850573 332120358 /nfs/dbraw/zinc/12/03/58/332120358.db2.gz BPJIPRVUQHMSIF-GFCCVEGCSA-N 1 2 297.380 0.433 20 30 CCEDLO C#CC[N@H+](CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000490850573 332120360 /nfs/dbraw/zinc/12/03/60/332120360.db2.gz BPJIPRVUQHMSIF-GFCCVEGCSA-N 1 2 297.380 0.433 20 30 CCEDLO C#CC[N@@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490865509 332121639 /nfs/dbraw/zinc/12/16/39/332121639.db2.gz CULCZULQIIJTTR-LBPRGKRZSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[N@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490865509 332121640 /nfs/dbraw/zinc/12/16/40/332121640.db2.gz CULCZULQIIJTTR-LBPRGKRZSA-N 1 2 273.398 0.924 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)nc2)CC1 ZINC000490936402 332130973 /nfs/dbraw/zinc/13/09/73/332130973.db2.gz QKNSDIAEBUVQFG-UHFFFAOYSA-N 1 2 277.299 0.377 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000491103851 332150091 /nfs/dbraw/zinc/15/00/91/332150091.db2.gz QLMOGLCGBQLPKJ-UHFFFAOYSA-N 1 2 272.352 0.746 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSCCC(C)(C)O)CC1 ZINC000491381499 332201223 /nfs/dbraw/zinc/20/12/23/332201223.db2.gz FSOCDSCSJVNAFA-UHFFFAOYSA-N 1 2 284.425 0.658 20 30 CCEDLO C#CC[NH+]1CCN(CN2CCN(CC=C)C2=O)CC1 ZINC000491635005 332256305 /nfs/dbraw/zinc/25/63/05/332256305.db2.gz SJUBVGWHUXKLDV-UHFFFAOYSA-N 1 2 262.357 0.118 20 30 CCEDLO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000491655379 332267356 /nfs/dbraw/zinc/26/73/56/332267356.db2.gz HJFDHBFHSSKMPD-ZDUSSCGKSA-N 1 2 278.400 0.430 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1CC ZINC000491664215 332273332 /nfs/dbraw/zinc/27/33/32/332273332.db2.gz NTJICLZBQXIPNX-LLVKDONJSA-N 1 2 262.313 0.447 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491666951 332275298 /nfs/dbraw/zinc/27/52/98/332275298.db2.gz KIZRSLWFLSNMGB-LBPRGKRZSA-N 1 2 298.302 0.133 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000491689287 332286790 /nfs/dbraw/zinc/28/67/90/332286790.db2.gz HRJFJEOJMFEWGP-ZIAGYGMSSA-N 1 2 261.321 0.760 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000491689287 332286791 /nfs/dbraw/zinc/28/67/91/332286791.db2.gz HRJFJEOJMFEWGP-ZIAGYGMSSA-N 1 2 261.321 0.760 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000491696048 332291654 /nfs/dbraw/zinc/29/16/54/332291654.db2.gz ILJMOPDJAFUTMA-YPMHNXCESA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000491696048 332291655 /nfs/dbraw/zinc/29/16/55/332291655.db2.gz ILJMOPDJAFUTMA-YPMHNXCESA-N 1 2 268.382 0.332 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000491699516 332294312 /nfs/dbraw/zinc/29/43/12/332294312.db2.gz RRZSTBKKDHOONG-ZDUSSCGKSA-N 1 2 287.363 0.373 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000491699516 332294314 /nfs/dbraw/zinc/29/43/14/332294314.db2.gz RRZSTBKKDHOONG-ZDUSSCGKSA-N 1 2 287.363 0.373 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000491712337 332303636 /nfs/dbraw/zinc/30/36/36/332303636.db2.gz ZICLEZZYVXHXMM-LBPRGKRZSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000491712337 332303634 /nfs/dbraw/zinc/30/36/34/332303634.db2.gz ZICLEZZYVXHXMM-LBPRGKRZSA-N 1 2 250.342 0.927 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491716506 332306442 /nfs/dbraw/zinc/30/64/42/332306442.db2.gz NSLZNTODODRCJT-GFCCVEGCSA-N 1 2 286.322 0.824 20 30 CCEDLO C#CC[N@@H+](CCOCC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491717992 332307179 /nfs/dbraw/zinc/30/71/79/332307179.db2.gz YJSNNDGOVNEIMN-CQSZACIVSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[N@H+](CCOCC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491717992 332307180 /nfs/dbraw/zinc/30/71/80/332307180.db2.gz YJSNNDGOVNEIMN-CQSZACIVSA-N 1 2 285.409 0.925 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(-c3ccccc3)c2=O)CC1 ZINC000491726406 332309903 /nfs/dbraw/zinc/30/99/03/332309903.db2.gz JJVUEVZCXMPAPO-UHFFFAOYSA-N 1 2 297.362 0.242 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491730822 332312768 /nfs/dbraw/zinc/31/27/68/332312768.db2.gz LHZPHCWPYPLVDI-CQSZACIVSA-N 1 2 298.346 0.920 20 30 CCEDLO C#C[C@H]1COCCN1CCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491732781 332313781 /nfs/dbraw/zinc/31/37/81/332313781.db2.gz QUVFBCIYKSGWGO-HOTGVXAUSA-N 1 2 276.380 0.435 20 30 CCEDLO C#C[C@H]1COCCN1CCCC[N@H+]1CCOC[C@@H]1C#C ZINC000491732781 332313782 /nfs/dbraw/zinc/31/37/82/332313782.db2.gz QUVFBCIYKSGWGO-HOTGVXAUSA-N 1 2 276.380 0.435 20 30 CCEDLO C=CCN1CC[C@H](N(C)C(=O)/C=C/c2[nH]cc[nH+]2)C1=O ZINC000493350170 332436520 /nfs/dbraw/zinc/43/65/20/332436520.db2.gz IQULFRJARDJDNC-ZWNMCFTASA-N 1 2 274.324 0.668 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CN(C)C ZINC000493829607 332455680 /nfs/dbraw/zinc/45/56/80/332455680.db2.gz XJTPBCSERMPCRM-AFNCTOJWSA-N 1 2 275.356 0.876 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000192224154 333232722 /nfs/dbraw/zinc/23/27/22/333232722.db2.gz BPDQOKYFMMRDKR-UHFFFAOYSA-N 1 2 260.293 0.961 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000192224154 333232723 /nfs/dbraw/zinc/23/27/23/333232723.db2.gz BPDQOKYFMMRDKR-UHFFFAOYSA-N 1 2 260.293 0.961 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000135150835 334118050 /nfs/dbraw/zinc/11/80/50/334118050.db2.gz QUSUWXBOQSHJCC-DZGCQCFKSA-N 1 2 284.400 0.740 20 30 CCEDLO CC#CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000135465653 334130815 /nfs/dbraw/zinc/13/08/15/334130815.db2.gz JSBWYEHTRDHDAR-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO CC(C)OC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081158172 334179627 /nfs/dbraw/zinc/17/96/27/334179627.db2.gz CQCQDSPLVJQFRM-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO CC(C)OC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081158172 334179628 /nfs/dbraw/zinc/17/96/28/334179628.db2.gz CQCQDSPLVJQFRM-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO CC(C)OC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081158172 334179629 /nfs/dbraw/zinc/17/96/29/334179629.db2.gz CQCQDSPLVJQFRM-UHFFFAOYSA-N 1 2 297.399 0.876 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000249728042 334339460 /nfs/dbraw/zinc/33/94/60/334339460.db2.gz REVPYNHFXHJENW-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000249728042 334339462 /nfs/dbraw/zinc/33/94/62/334339462.db2.gz REVPYNHFXHJENW-NEPJUHHUSA-N 1 2 280.372 0.334 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000576409198 335200288 /nfs/dbraw/zinc/20/02/88/335200288.db2.gz YJHXLEKGPVZYRE-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1CCCC1=O ZINC000577378411 335345059 /nfs/dbraw/zinc/34/50/59/335345059.db2.gz UNJFNYKUVHJRHI-BXUZGUMPSA-N 1 2 280.372 0.347 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1C#N ZINC000577443961 335352607 /nfs/dbraw/zinc/35/26/07/335352607.db2.gz UAZVTMJZANKTLE-OAHLLOKOSA-N 1 2 286.335 0.897 20 30 CCEDLO Cc1nn(C)c(C)c1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581919668 336166147 /nfs/dbraw/zinc/16/61/47/336166147.db2.gz KQCINZWHJSPGGX-OAHLLOKOSA-N 1 2 291.399 0.930 20 30 CCEDLO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC(=O)N1 ZINC000387112992 336185440 /nfs/dbraw/zinc/18/54/40/336185440.db2.gz HHFHXJSCTQVJKM-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC(=O)N1 ZINC000387112992 336185442 /nfs/dbraw/zinc/18/54/42/336185442.db2.gz HHFHXJSCTQVJKM-NSHDSACASA-N 1 2 286.335 0.707 20 30 CCEDLO Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425233168 533909610 /nfs/dbraw/zinc/90/96/10/533909610.db2.gz VTADSMXROODXCV-JTQLQIEISA-N 1 2 266.326 0.129 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)n1C ZINC000448710846 534063928 /nfs/dbraw/zinc/06/39/28/534063928.db2.gz VUTFYOCVAFXTLP-LLVKDONJSA-N 1 2 276.340 0.347 20 30 CCEDLO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)C(C)C ZINC000352100982 534270385 /nfs/dbraw/zinc/27/03/85/534270385.db2.gz JPYYOFBZRHHUMH-LBPRGKRZSA-N 1 2 299.346 0.628 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000184086025 524085905 /nfs/dbraw/zinc/08/59/05/524085905.db2.gz XLKJMQIDMBUVDV-KBPBESRZSA-N 1 2 289.335 0.038 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000184086025 524085910 /nfs/dbraw/zinc/08/59/10/524085910.db2.gz XLKJMQIDMBUVDV-KBPBESRZSA-N 1 2 289.335 0.038 20 30 CCEDLO CC(=O)N1CC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329986470 526511767 /nfs/dbraw/zinc/51/17/67/526511767.db2.gz RWEDGSYNYMAVTP-NSHDSACASA-N 1 2 262.313 0.633 20 30 CCEDLO CC(C)(CNC(=O)C1(CO)COC1)[NH+]1CCOCC1 ZINC000329119184 526947645 /nfs/dbraw/zinc/94/76/45/526947645.db2.gz VGJUXAJRJFDWOP-UHFFFAOYSA-N 1 2 272.345 0.063 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667252350 545142295 /nfs/dbraw/zinc/14/22/95/545142295.db2.gz GKIKFLKEJCVOEE-QWRGUYRKSA-N 1 2 266.345 0.965 20 30 CCEDLO C=C[C@@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356097565 527414612 /nfs/dbraw/zinc/41/46/12/527414612.db2.gz MPQOFZGYSSSTKV-SECBINFHSA-N 1 2 258.347 0.202 20 30 CCEDLO C=CCCn1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)nn1 ZINC000667990858 545160399 /nfs/dbraw/zinc/16/03/99/545160399.db2.gz YWKWFSRCERAFLD-UHFFFAOYSA-N 1 2 286.401 0.767 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000668319354 545172972 /nfs/dbraw/zinc/17/29/72/545172972.db2.gz GLNJUZPMHKBLCZ-LOWVWBTDSA-N 1 2 256.346 0.149 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000668365744 545175362 /nfs/dbraw/zinc/17/53/62/545175362.db2.gz UHLQTZFIHWTYAV-CQSZACIVSA-N 1 2 278.356 0.001 20 30 CCEDLO CCC(=O)N1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000330027770 528357829 /nfs/dbraw/zinc/35/78/29/528357829.db2.gz NNGXSGLLPWZWOP-NSHDSACASA-N 1 2 291.355 0.624 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352699652 528847236 /nfs/dbraw/zinc/84/72/36/528847236.db2.gz RWZGPALJZRQWPX-BXUZGUMPSA-N 1 2 280.372 0.203 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352699652 528847243 /nfs/dbraw/zinc/84/72/43/528847243.db2.gz RWZGPALJZRQWPX-BXUZGUMPSA-N 1 2 280.372 0.203 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977463 545355751 /nfs/dbraw/zinc/35/57/51/545355751.db2.gz OXTDWXLMROFQMQ-NXEZZACHSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977463 545355752 /nfs/dbraw/zinc/35/57/52/545355752.db2.gz OXTDWXLMROFQMQ-NXEZZACHSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000677047945 545357131 /nfs/dbraw/zinc/35/71/31/545357131.db2.gz LLKRNYVXVVEPEQ-GFCCVEGCSA-N 1 2 264.325 0.974 20 30 CCEDLO CCCC[N@H+](CC#CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677478726 545366021 /nfs/dbraw/zinc/36/60/21/545366021.db2.gz CYNVNKVWLVFMES-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO CCCC[N@@H+](CC#CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677478726 545366022 /nfs/dbraw/zinc/36/60/22/545366022.db2.gz CYNVNKVWLVFMES-ZDUSSCGKSA-N 1 2 273.398 0.925 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000357135994 536147729 /nfs/dbraw/zinc/14/77/29/536147729.db2.gz AUXYVQZFGVWRFV-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccnc(C#N)c2)CCO1 ZINC000357135994 536147736 /nfs/dbraw/zinc/14/77/36/536147736.db2.gz AUXYVQZFGVWRFV-AWEZNQCLSA-N 1 2 288.351 0.794 20 30 CCEDLO C=CCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000679463066 545409881 /nfs/dbraw/zinc/40/98/81/545409881.db2.gz ZGOLFSDQGQMHKM-UHFFFAOYSA-N 1 2 252.318 0.775 20 30 CCEDLO C#CCOCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000778682912 581162872 /nfs/dbraw/zinc/16/28/72/581162872.db2.gz WPANMPZXTXAJTP-LLVKDONJSA-N 1 2 257.355 0.617 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](CO)C(=C)C)n1 ZINC000789317219 581141890 /nfs/dbraw/zinc/14/18/90/581141890.db2.gz JOSRVNUGPBQFBB-HNNXBMFYSA-N 1 2 277.368 0.902 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](CO)C(=C)C)n1 ZINC000789317219 581141891 /nfs/dbraw/zinc/14/18/91/581141891.db2.gz JOSRVNUGPBQFBB-HNNXBMFYSA-N 1 2 277.368 0.902 20 30 CCEDLO COc1cc(C=NNC2=[NH+]C[C@H](C)N2)cc([N+](=O)[O-])c1O ZINC000779798370 581206155 /nfs/dbraw/zinc/20/61/55/581206155.db2.gz OICDWBRSXIUKLE-ZETCQYMHSA-N 1 2 293.283 0.580 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000791172007 581209199 /nfs/dbraw/zinc/20/91/99/581209199.db2.gz CCAQMROYWJIWTP-XUOCYBMCSA-N 1 2 282.409 0.452 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000791172007 581209201 /nfs/dbraw/zinc/20/92/01/581209201.db2.gz CCAQMROYWJIWTP-XUOCYBMCSA-N 1 2 282.409 0.452 20 30 CCEDLO C=C(CO)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000791326111 581215021 /nfs/dbraw/zinc/21/50/21/581215021.db2.gz DKKAAEAZMGKKOP-UHFFFAOYSA-N 1 2 261.325 0.715 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780855269 581246209 /nfs/dbraw/zinc/24/62/09/581246209.db2.gz IDZINWXJFZVEKK-CQSZACIVSA-N 1 2 284.319 0.984 20 30 CCEDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NO ZINC000782170087 581290803 /nfs/dbraw/zinc/29/08/03/581290803.db2.gz VHCDRQBIKHRYAZ-UHFFFAOYSA-N 1 2 278.312 0.016 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC000793494018 581301207 /nfs/dbraw/zinc/30/12/07/581301207.db2.gz RKKHHMKCNATPCZ-QWHCGFSZSA-N 1 2 252.358 0.825 20 30 CCEDLO N#Cc1cnn(C(=O)Cc2cn3ccccc3[nH+]2)c1N ZINC000728208973 581354967 /nfs/dbraw/zinc/35/49/67/581354967.db2.gz CCJVOWFVYOQSLF-UHFFFAOYSA-N 1 2 266.264 0.868 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)NCCNc1ccc(C#N)cn1 ZINC000728743825 581368547 /nfs/dbraw/zinc/36/85/47/581368547.db2.gz CZHZRROWYQERFW-UHFFFAOYSA-N 1 2 299.338 0.598 20 30 CCEDLO C[C@@H](C#N)CN(C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979897 581370102 /nfs/dbraw/zinc/37/01/02/581370102.db2.gz ZKXUMFAZMYWHIW-RYUDHWBXSA-N 1 2 275.356 0.785 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000795177118 581400594 /nfs/dbraw/zinc/40/05/94/581400594.db2.gz MIDOTNWMKVVYNS-UHFFFAOYSA-N 1 2 288.351 0.544 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COCc2ncc(C)o2)CC1 ZINC000796431324 581440203 /nfs/dbraw/zinc/44/02/03/581440203.db2.gz VYLVCJOCDHWUIN-UHFFFAOYSA-N 1 2 277.324 0.277 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(C)=O)CC1 ZINC000796428051 581440325 /nfs/dbraw/zinc/44/03/25/581440325.db2.gz HBBVQKGAMLKIOS-CQSZACIVSA-N 1 2 277.368 0.165 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000796465620 581442062 /nfs/dbraw/zinc/44/20/62/581442062.db2.gz LZDYANWJGJTLLX-UHFFFAOYSA-N 1 2 260.293 0.336 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000796465620 581442064 /nfs/dbraw/zinc/44/20/64/581442064.db2.gz LZDYANWJGJTLLX-UHFFFAOYSA-N 1 2 260.293 0.336 20 30 CCEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000796553583 581443341 /nfs/dbraw/zinc/44/33/41/581443341.db2.gz MHIOOGIGSINSKH-GFCCVEGCSA-N 1 2 296.371 0.569 20 30 CCEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000796553583 581443343 /nfs/dbraw/zinc/44/33/43/581443343.db2.gz MHIOOGIGSINSKH-GFCCVEGCSA-N 1 2 296.371 0.569 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000786973598 581455149 /nfs/dbraw/zinc/45/51/49/581455149.db2.gz RCOZHQYASJWAQU-QWHCGFSZSA-N 1 2 277.368 0.056 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCO1 ZINC000787300901 581466491 /nfs/dbraw/zinc/46/64/91/581466491.db2.gz XLRPEXTUZOQSTL-AVGNSLFASA-N 1 2 273.336 0.743 20 30 CCEDLO C#CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000733645514 581516546 /nfs/dbraw/zinc/51/65/46/581516546.db2.gz IOBLFNMXGMOHCF-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000733645514 581516549 /nfs/dbraw/zinc/51/65/49/581516549.db2.gz IOBLFNMXGMOHCF-UHFFFAOYSA-N 1 2 253.346 0.420 20 30 CCEDLO C[C@H]1CC(N=NC2=NC(=O)C(=O)N2)C[N@@H+]1Cc1ccccc1 ZINC000765594353 581528384 /nfs/dbraw/zinc/52/83/84/581528384.db2.gz PJTGBGUITHUJNC-JTQLQIEISA-N 1 2 299.334 0.239 20 30 CCEDLO C[C@H]1CC(N=NC2=NC(=O)C(=O)N2)C[N@H+]1Cc1ccccc1 ZINC000765594353 581528387 /nfs/dbraw/zinc/52/83/87/581528387.db2.gz PJTGBGUITHUJNC-JTQLQIEISA-N 1 2 299.334 0.239 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752092968 581538572 /nfs/dbraw/zinc/53/85/72/581538572.db2.gz NGILEDSKJJFRFN-ZIAGYGMSSA-N 1 2 279.384 0.457 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752092968 581538574 /nfs/dbraw/zinc/53/85/74/581538574.db2.gz NGILEDSKJJFRFN-ZIAGYGMSSA-N 1 2 279.384 0.457 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@H+]2CCOC[C@H]2C)c1O ZINC000729150148 581553788 /nfs/dbraw/zinc/55/37/88/581553788.db2.gz UBFYDMZLYUUFMP-OUZNOSRWSA-N 1 2 293.367 0.728 20 30 CCEDLO Cc1ncc(CO)c(/C=N\CC[N@@H+]2CCOC[C@H]2C)c1O ZINC000729150148 581553790 /nfs/dbraw/zinc/55/37/90/581553790.db2.gz UBFYDMZLYUUFMP-OUZNOSRWSA-N 1 2 293.367 0.728 20 30 CCEDLO C#CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000753970742 581568075 /nfs/dbraw/zinc/56/80/75/581568075.db2.gz NHMKDDORPFWVLR-UHFFFAOYSA-N 1 2 288.347 0.647 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767113893 581597292 /nfs/dbraw/zinc/59/72/92/581597292.db2.gz YMMXNAZSBJCDQJ-GHMZBOCLSA-N 1 2 284.381 0.105 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767113893 581597294 /nfs/dbraw/zinc/59/72/94/581597294.db2.gz YMMXNAZSBJCDQJ-GHMZBOCLSA-N 1 2 284.381 0.105 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000767539639 581617939 /nfs/dbraw/zinc/61/79/39/581617939.db2.gz YYULJGMEWLEDPZ-BETUJISGSA-N 1 2 287.319 0.973 20 30 CCEDLO N#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000767539639 581617942 /nfs/dbraw/zinc/61/79/42/581617942.db2.gz YYULJGMEWLEDPZ-BETUJISGSA-N 1 2 287.319 0.973 20 30 CCEDLO C=CC[N@H+](Cn1cc(S(=O)(=O)N(C)C)cn1)C(C)C ZINC000738030255 581659550 /nfs/dbraw/zinc/65/95/50/581659550.db2.gz VUMCIWYHLXRIMQ-UHFFFAOYSA-N 1 2 286.401 0.987 20 30 CCEDLO C=CC[N@@H+](Cn1cc(S(=O)(=O)N(C)C)cn1)C(C)C ZINC000738030255 581659554 /nfs/dbraw/zinc/65/95/54/581659554.db2.gz VUMCIWYHLXRIMQ-UHFFFAOYSA-N 1 2 286.401 0.987 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc(C(=O)OC)c1 ZINC000769002680 581665433 /nfs/dbraw/zinc/66/54/33/581665433.db2.gz AANQRQJIZZZUOP-ZDUSSCGKSA-N 1 2 287.319 0.904 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc(C(=O)OC)c1 ZINC000769002680 581665435 /nfs/dbraw/zinc/66/54/35/581665435.db2.gz AANQRQJIZZZUOP-ZDUSSCGKSA-N 1 2 287.319 0.904 20 30 CCEDLO C#CCOCCC(=O)O[C@H]1CCC[N@@H+](CC(=O)OCC)C1 ZINC000756566778 581671857 /nfs/dbraw/zinc/67/18/57/581671857.db2.gz FZHFFHCMLCZGPM-ZDUSSCGKSA-N 1 2 297.351 0.597 20 30 CCEDLO C#CCOCCC(=O)O[C@H]1CCC[N@H+](CC(=O)OCC)C1 ZINC000756566778 581671859 /nfs/dbraw/zinc/67/18/59/581671859.db2.gz FZHFFHCMLCZGPM-ZDUSSCGKSA-N 1 2 297.351 0.597 20 30 CCEDLO CC(CC1CC1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000756823821 581679434 /nfs/dbraw/zinc/67/94/34/581679434.db2.gz PBVWCAJZIQFORK-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000730282207 581690936 /nfs/dbraw/zinc/69/09/36/581690936.db2.gz IIWMXIXRVHUKTC-ZDUSSCGKSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000730282207 581690939 /nfs/dbraw/zinc/69/09/39/581690939.db2.gz IIWMXIXRVHUKTC-ZDUSSCGKSA-N 1 2 286.335 0.234 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C)no1 ZINC000730281317 581691530 /nfs/dbraw/zinc/69/15/30/581691530.db2.gz ILGUTMOEDGFAHC-ONGXEEELSA-N 1 2 262.313 0.653 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C)no1 ZINC000730281317 581691533 /nfs/dbraw/zinc/69/15/33/581691533.db2.gz ILGUTMOEDGFAHC-ONGXEEELSA-N 1 2 262.313 0.653 20 30 CCEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(S(N)(=O)=O)cc1C#N ZINC000757918973 581714566 /nfs/dbraw/zinc/71/45/66/581714566.db2.gz BSSDHPOXZVCUBM-UHFFFAOYSA-N 1 2 291.336 0.565 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000762035475 581721474 /nfs/dbraw/zinc/72/14/74/581721474.db2.gz AEUYCTCTUSGWCV-MNOVXSKESA-N 1 2 264.325 0.294 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000762035475 581721477 /nfs/dbraw/zinc/72/14/77/581721477.db2.gz AEUYCTCTUSGWCV-MNOVXSKESA-N 1 2 264.325 0.294 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2CCOCC2)CC1 ZINC000772109888 581843437 /nfs/dbraw/zinc/84/34/37/581843437.db2.gz KTJCMFJZCFHLJZ-UHFFFAOYSA-N 1 2 293.363 0.871 20 30 CCEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1CCCO1 ZINC000772259277 581849518 /nfs/dbraw/zinc/84/95/18/581849518.db2.gz SIOSIHLXWSADMM-WDEREUQCSA-N 1 2 257.297 0.956 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078917 581863853 /nfs/dbraw/zinc/86/38/53/581863853.db2.gz ICPYGTXHORBFBB-GFCCVEGCSA-N 1 2 281.356 0.776 20 30 CCEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078917 581863856 /nfs/dbraw/zinc/86/38/56/581863856.db2.gz ICPYGTXHORBFBB-GFCCVEGCSA-N 1 2 281.356 0.776 20 30 CCEDLO C#CC[N@H+](CC#CC)CC[C@@H]1CCS(=O)(=O)C1 ZINC000760842422 581875457 /nfs/dbraw/zinc/87/54/57/581875457.db2.gz YCFKHVUFPACYKU-CYBMUJFWSA-N 1 2 253.367 0.770 20 30 CCEDLO C#CC[N@@H+](CC#CC)CC[C@@H]1CCS(=O)(=O)C1 ZINC000760842422 581875459 /nfs/dbraw/zinc/87/54/59/581875459.db2.gz YCFKHVUFPACYKU-CYBMUJFWSA-N 1 2 253.367 0.770 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000760970590 581881695 /nfs/dbraw/zinc/88/16/95/581881695.db2.gz GOVYLFKZWXOKRN-ZDUSSCGKSA-N 1 2 293.298 0.997 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000760970590 581881697 /nfs/dbraw/zinc/88/16/97/581881697.db2.gz GOVYLFKZWXOKRN-ZDUSSCGKSA-N 1 2 293.298 0.997 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761047578 581883737 /nfs/dbraw/zinc/88/37/37/581883737.db2.gz LGRQDUOWKNJCGL-QMMMGPOBSA-N 1 2 279.262 0.882 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761047578 581883740 /nfs/dbraw/zinc/88/37/40/581883740.db2.gz LGRQDUOWKNJCGL-QMMMGPOBSA-N 1 2 279.262 0.882 20 30 CCEDLO Cn1cc[nH+]c1CN=Nc1ccccc1S(N)(=O)=O ZINC000773113264 581908843 /nfs/dbraw/zinc/90/88/43/581908843.db2.gz FWUHPJKYVFVDFN-UHFFFAOYSA-N 1 2 279.325 0.514 20 30 CCEDLO CC(C)C1(O)C[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000773900780 581946410 /nfs/dbraw/zinc/94/64/10/581946410.db2.gz VPOFKXXUCAPLFI-UHFFFAOYSA-N 1 2 287.363 0.877 20 30 CCEDLO C#Cc1ccc(C(=O)OCC[NH+]2CCOCC2)cn1 ZINC000747700602 581950277 /nfs/dbraw/zinc/95/02/77/581950277.db2.gz VFXQPWMIBIRJTE-UHFFFAOYSA-N 1 2 260.293 0.552 20 30 CCEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NC1CC1)[C@H]1CCSC1 ZINC000773979682 581951218 /nfs/dbraw/zinc/95/12/18/581951218.db2.gz JGWYWYCLIUGZCR-QWRGUYRKSA-N 1 2 281.381 0.411 20 30 CCEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NC1CC1)[C@H]1CCSC1 ZINC000773979682 581951220 /nfs/dbraw/zinc/95/12/20/581951220.db2.gz JGWYWYCLIUGZCR-QWRGUYRKSA-N 1 2 281.381 0.411 20 30 CCEDLO C#CCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774277884 581968030 /nfs/dbraw/zinc/96/80/30/581968030.db2.gz DMWSCMHWWOMYJG-UHFFFAOYSA-N 1 2 270.292 0.802 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000749543582 582012084 /nfs/dbraw/zinc/01/20/84/582012084.db2.gz MOCSBBUPIYAGLG-GFCCVEGCSA-N 1 2 260.341 0.479 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000749543582 582012086 /nfs/dbraw/zinc/01/20/86/582012086.db2.gz MOCSBBUPIYAGLG-GFCCVEGCSA-N 1 2 260.341 0.479 20 30 CCEDLO C#C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)[C@H]1CCCO1 ZINC000775792824 582038689 /nfs/dbraw/zinc/03/86/89/582038689.db2.gz SZBNWGPDMJOQTN-UONOGXRCSA-N 1 2 283.335 0.933 20 30 CCEDLO COc1cc(C(C)=NNC(N)=[NH2+])cc([N+](=O)[O-])c1O ZINC000764405021 582045130 /nfs/dbraw/zinc/04/51/30/582045130.db2.gz RLSYPSXBDJDCGY-UHFFFAOYSA-N 1 2 267.245 0.516 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000751425119 582079527 /nfs/dbraw/zinc/07/95/27/582079527.db2.gz FRBRSBDJEWPHOL-ZDUSSCGKSA-N 1 2 287.367 0.608 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000751425119 582079529 /nfs/dbraw/zinc/07/95/29/582079529.db2.gz FRBRSBDJEWPHOL-ZDUSSCGKSA-N 1 2 287.367 0.608 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000751425119 582079533 /nfs/dbraw/zinc/07/95/33/582079533.db2.gz FRBRSBDJEWPHOL-ZDUSSCGKSA-N 1 2 287.367 0.608 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCCC#N ZINC000776858628 582092372 /nfs/dbraw/zinc/09/23/72/582092372.db2.gz WQCAZRZYHKFZFK-JTQLQIEISA-N 1 2 268.361 0.251 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCCC#N ZINC000776858628 582092374 /nfs/dbraw/zinc/09/23/74/582092374.db2.gz WQCAZRZYHKFZFK-JTQLQIEISA-N 1 2 268.361 0.251 20 30 CCEDLO C#CCSCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892584242 613012481 /nfs/dbraw/zinc/01/24/81/613012481.db2.gz YZASROAVQQRSNT-UPJWGTAASA-N 1 2 284.425 0.967 20 30 CCEDLO C#CCSCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892584242 613012482 /nfs/dbraw/zinc/01/24/82/613012482.db2.gz YZASROAVQQRSNT-UPJWGTAASA-N 1 2 284.425 0.967 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000883117709 612948131 /nfs/dbraw/zinc/94/81/31/612948131.db2.gz GKOPBSGMDVCDFJ-LLVKDONJSA-N 1 2 269.320 0.074 20 30 CCEDLO C#CCNC(=O)[C@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933263636 612950353 /nfs/dbraw/zinc/95/03/53/612950353.db2.gz OUSYHQACEOALLJ-NSHDSACASA-N 1 2 260.341 0.399 20 30 CCEDLO C#CCN(CC[NH+]1CCOCC1)CC(=O)OC(C)(C)C ZINC000852429565 613107572 /nfs/dbraw/zinc/10/75/72/613107572.db2.gz PZJGEPXDSKLCKD-UHFFFAOYSA-N 1 2 282.384 0.596 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000857309271 612967212 /nfs/dbraw/zinc/96/72/12/612967212.db2.gz YMYIVJSKIBISJZ-KBPBESRZSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000857309271 612967214 /nfs/dbraw/zinc/96/72/14/612967214.db2.gz YMYIVJSKIBISJZ-KBPBESRZSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC1(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC000914067542 612969162 /nfs/dbraw/zinc/96/91/62/612969162.db2.gz VPORXENDSMRQTA-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO CC(C)C(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801910596 614369091 /nfs/dbraw/zinc/36/90/91/614369091.db2.gz VPAJIWASMIXEHF-LBPRGKRZSA-N 1 2 253.346 0.715 20 30 CCEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)nc1 ZINC000934348200 617281746 /nfs/dbraw/zinc/28/17/46/617281746.db2.gz CKJCEQIXILSKBD-CYBMUJFWSA-N 1 2 274.324 0.867 20 30 CCEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#N)nc1 ZINC000934348200 617281747 /nfs/dbraw/zinc/28/17/47/617281747.db2.gz CKJCEQIXILSKBD-CYBMUJFWSA-N 1 2 274.324 0.867 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913451539 612965329 /nfs/dbraw/zinc/96/53/29/612965329.db2.gz OVFIBDXMHQRWCR-LBPRGKRZSA-N 1 2 260.341 0.932 20 30 CCEDLO C#CCC1(O)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000883068334 612972109 /nfs/dbraw/zinc/97/21/09/612972109.db2.gz QCPBVFCUACOVJZ-UHFFFAOYSA-N 1 2 276.340 0.443 20 30 CCEDLO C#CCC1(O)CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000882968761 612974406 /nfs/dbraw/zinc/97/44/06/612974406.db2.gz XEMYGOLNQNKZTD-UHFFFAOYSA-N 1 2 262.313 0.422 20 30 CCEDLO C#CCC1(O)CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000882968761 612974407 /nfs/dbraw/zinc/97/44/07/612974407.db2.gz XEMYGOLNQNKZTD-UHFFFAOYSA-N 1 2 262.313 0.422 20 30 CCEDLO C#CCCCS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000805040466 612982810 /nfs/dbraw/zinc/98/28/10/612982810.db2.gz MPRYNURGKCHRIF-UHFFFAOYSA-N 1 2 269.370 0.948 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875484927 612987128 /nfs/dbraw/zinc/98/71/28/612987128.db2.gz NREJORWPVOPNRP-ZDUSSCGKSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875484927 612987130 /nfs/dbraw/zinc/98/71/30/612987130.db2.gz NREJORWPVOPNRP-ZDUSSCGKSA-N 1 2 283.372 0.046 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccn3nnnc23)C1 ZINC000950420112 612992496 /nfs/dbraw/zinc/99/24/96/612992496.db2.gz VXXVCJDNNATVLC-UHFFFAOYSA-N 1 2 298.350 0.294 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3c2CCC3)C1 ZINC000950469944 612992934 /nfs/dbraw/zinc/99/29/34/612992934.db2.gz UVWRHBLGNJDBLH-UHFFFAOYSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC000957051881 612993003 /nfs/dbraw/zinc/99/30/03/612993003.db2.gz YBRNOZSBVXNMDZ-UHFFFAOYSA-N 1 2 289.383 0.858 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000825077720 613010984 /nfs/dbraw/zinc/01/09/84/613010984.db2.gz GIBSTRWFWGARTE-UHFFFAOYSA-N 1 2 290.371 0.209 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875927988 613036200 /nfs/dbraw/zinc/03/62/00/613036200.db2.gz NYNVOJGCUYIFFT-WDEREUQCSA-N 1 2 262.313 0.145 20 30 CCEDLO C#CCCOC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000859281420 613050161 /nfs/dbraw/zinc/05/01/61/613050161.db2.gz NYMIDPKVOCMPPO-OAHLLOKOSA-N 1 2 296.367 0.352 20 30 CCEDLO C#CCCOC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000859281420 613050162 /nfs/dbraw/zinc/05/01/62/613050162.db2.gz NYMIDPKVOCMPPO-OAHLLOKOSA-N 1 2 296.367 0.352 20 30 CCEDLO C#CCC[C@H](O)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000853569450 613064460 /nfs/dbraw/zinc/06/44/60/613064460.db2.gz VBDCEJUFYSTDKR-LBPRGKRZSA-N 1 2 262.309 0.983 20 30 CCEDLO C#CC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)OC ZINC000844146368 613068961 /nfs/dbraw/zinc/06/89/61/613068961.db2.gz KNPKHGCFFAUQNK-PWSUYJOCSA-N 1 2 275.308 0.127 20 30 CCEDLO C#CCN(CC#C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845677263 613098687 /nfs/dbraw/zinc/09/86/87/613098687.db2.gz AISOPGZWKGVVOC-UHFFFAOYSA-N 1 2 255.321 0.857 20 30 CCEDLO C#C[C@@H]1CCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000908279992 613102991 /nfs/dbraw/zinc/10/29/91/613102991.db2.gz GLSZDADRAWDUQM-GFCCVEGCSA-N 1 2 267.354 0.701 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925597722 613113695 /nfs/dbraw/zinc/11/36/95/613113695.db2.gz RJBLNICTQOEEAS-STQMWFEESA-N 1 2 267.373 0.760 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902244773 613114395 /nfs/dbraw/zinc/11/43/95/613114395.db2.gz YVMBQHNBDOVRKR-XQQFMLRXSA-N 1 2 250.342 0.925 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902244773 613114396 /nfs/dbraw/zinc/11/43/96/613114396.db2.gz YVMBQHNBDOVRKR-XQQFMLRXSA-N 1 2 250.342 0.925 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC000941348031 613114730 /nfs/dbraw/zinc/11/47/30/613114730.db2.gz HITDWYNWZIAWBF-AATRIKPKSA-N 1 2 273.380 0.414 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H](C)C3)CC2)C1 ZINC000941593545 613115324 /nfs/dbraw/zinc/11/53/24/613115324.db2.gz QYLKAIQDKWBBKU-LSDHHAIUSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)CS(=O)(=O)C(C)C)CC1 ZINC000928656441 613133324 /nfs/dbraw/zinc/13/33/24/613133324.db2.gz ABHQJCYMYHZBFO-UHFFFAOYSA-N 1 2 286.397 0.023 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCO1 ZINC000875506834 613145115 /nfs/dbraw/zinc/14/51/15/613145115.db2.gz PRCIQOMZJOWEKN-WCFLWFBJSA-N 1 2 274.324 0.288 20 30 CCEDLO C#C[C@](C)(CC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000867320784 613164363 /nfs/dbraw/zinc/16/43/63/613164363.db2.gz BVTZCTUYCOPOFT-CYBMUJFWSA-N 1 2 288.413 0.430 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCCO)C2)cn1 ZINC000957290043 613166890 /nfs/dbraw/zinc/16/68/90/613166890.db2.gz LHADHGHIMZPYIP-UHFFFAOYSA-N 1 2 287.363 0.592 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2CC2)C1 ZINC000885511353 613175947 /nfs/dbraw/zinc/17/59/47/613175947.db2.gz GLFARMIYVFLZAH-GFCCVEGCSA-N 1 2 256.371 0.413 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CC2)C1 ZINC000885511353 613175948 /nfs/dbraw/zinc/17/59/48/613175948.db2.gz GLFARMIYVFLZAH-GFCCVEGCSA-N 1 2 256.371 0.413 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000855409688 613178725 /nfs/dbraw/zinc/17/87/25/613178725.db2.gz GLLNNFSYSDWFSS-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000855409688 613178727 /nfs/dbraw/zinc/17/87/27/613178727.db2.gz GLLNNFSYSDWFSS-OLZOCXBDSA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(=O)CC[C@@H]2C)C1 ZINC000924036652 613183270 /nfs/dbraw/zinc/18/32/70/613183270.db2.gz OEVXPSGHOLNIGJ-STQMWFEESA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)CC[C@@H]2C)C1 ZINC000924036652 613183273 /nfs/dbraw/zinc/18/32/73/613183273.db2.gz OEVXPSGHOLNIGJ-STQMWFEESA-N 1 2 277.368 0.847 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000884263207 613187811 /nfs/dbraw/zinc/18/78/11/613187811.db2.gz FXTRZDAGDALVPE-UYSIFFEZSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000884263207 613187812 /nfs/dbraw/zinc/18/78/12/613187812.db2.gz FXTRZDAGDALVPE-UYSIFFEZSA-N 1 2 285.413 0.150 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)COC)C1 ZINC000885512113 613193305 /nfs/dbraw/zinc/19/33/05/613193305.db2.gz RQCQIUAJSDIVRZ-NEPJUHHUSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)COC)C1 ZINC000885512113 613193307 /nfs/dbraw/zinc/19/33/07/613193307.db2.gz RQCQIUAJSDIVRZ-NEPJUHHUSA-N 1 2 274.386 0.038 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC=C)C1=O ZINC000799026081 613194049 /nfs/dbraw/zinc/19/40/49/613194049.db2.gz DMSADZIXZJLJPC-KBPBESRZSA-N 1 2 289.379 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC=C)C1=O ZINC000799026081 613194050 /nfs/dbraw/zinc/19/40/50/613194050.db2.gz DMSADZIXZJLJPC-KBPBESRZSA-N 1 2 289.379 0.329 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C)C1=O ZINC000799026082 613194518 /nfs/dbraw/zinc/19/45/18/613194518.db2.gz DMSADZIXZJLJPC-KGLIPLIRSA-N 1 2 289.379 0.329 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C)C1=O ZINC000799026082 613194522 /nfs/dbraw/zinc/19/45/22/613194522.db2.gz DMSADZIXZJLJPC-KGLIPLIRSA-N 1 2 289.379 0.329 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)C ZINC000839899251 613202339 /nfs/dbraw/zinc/20/23/39/613202339.db2.gz AWVKVUBUJRHXSN-NEPJUHHUSA-N 1 2 265.357 0.113 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)C ZINC000839899251 613202340 /nfs/dbraw/zinc/20/23/40/613202340.db2.gz AWVKVUBUJRHXSN-NEPJUHHUSA-N 1 2 265.357 0.113 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2n[nH]nc21 ZINC000908698827 613203471 /nfs/dbraw/zinc/20/34/71/613203471.db2.gz CTTUPGYQECFUKK-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2n[nH]nc21 ZINC000908698827 613203472 /nfs/dbraw/zinc/20/34/72/613203472.db2.gz CTTUPGYQECFUKK-LBPRGKRZSA-N 1 2 269.308 0.994 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000827435309 613203601 /nfs/dbraw/zinc/20/36/01/613203601.db2.gz YYCPWPJMOJCZJP-OAHLLOKOSA-N 1 2 288.347 0.954 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2COCCO2)c1 ZINC000827435309 613203603 /nfs/dbraw/zinc/20/36/03/613203603.db2.gz YYCPWPJMOJCZJP-OAHLLOKOSA-N 1 2 288.347 0.954 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353308 613206379 /nfs/dbraw/zinc/20/63/79/613206379.db2.gz WIWNVNQHICGFOT-QGZVFWFLSA-N 1 2 297.402 0.717 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353308 613206381 /nfs/dbraw/zinc/20/63/81/613206381.db2.gz WIWNVNQHICGFOT-QGZVFWFLSA-N 1 2 297.402 0.717 20 30 CCEDLO C#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000957304452 613208407 /nfs/dbraw/zinc/20/84/07/613208407.db2.gz RTRPAEBUZMJPMR-UHFFFAOYSA-N 1 2 295.346 0.658 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2CC=C)CC1 ZINC000828430133 613209863 /nfs/dbraw/zinc/20/98/63/613209863.db2.gz DDDOAHLAPCQHPC-UHFFFAOYSA-N 1 2 297.366 0.609 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972307202 613210965 /nfs/dbraw/zinc/21/09/65/613210965.db2.gz CDSRJJPMMBPEJO-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972307202 613210966 /nfs/dbraw/zinc/21/09/66/613210966.db2.gz CDSRJJPMMBPEJO-ZBFHGGJFSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609374 613211280 /nfs/dbraw/zinc/21/12/80/613211280.db2.gz QTTOEORWVJPCLI-INIZCTEOSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609374 613211283 /nfs/dbraw/zinc/21/12/83/613211283.db2.gz QTTOEORWVJPCLI-INIZCTEOSA-N 1 2 288.347 0.759 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3C)C2)C1 ZINC000972367462 613211856 /nfs/dbraw/zinc/21/18/56/613211856.db2.gz JRICKWWGMNSWRS-KRWDZBQOSA-N 1 2 299.374 0.940 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3C)C2)C1 ZINC000972367462 613211858 /nfs/dbraw/zinc/21/18/58/613211858.db2.gz JRICKWWGMNSWRS-KRWDZBQOSA-N 1 2 299.374 0.940 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426131 613212435 /nfs/dbraw/zinc/21/24/35/613212435.db2.gz UGOIMSSMAFEGQO-ZBCRRDGASA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(OC)C3)C2)C1 ZINC000972426131 613212436 /nfs/dbraw/zinc/21/24/36/613212436.db2.gz UGOIMSSMAFEGQO-ZBCRRDGASA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3[nH]cnc3C)C2)C1 ZINC000972700234 613212925 /nfs/dbraw/zinc/21/29/25/613212925.db2.gz VPGMTASQGQTCAD-OAHLLOKOSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3[nH]cnc3C)C2)C1 ZINC000972700234 613212926 /nfs/dbraw/zinc/21/29/26/613212926.db2.gz VPGMTASQGQTCAD-OAHLLOKOSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC000947467851 613224970 /nfs/dbraw/zinc/22/49/70/613224970.db2.gz FXNCMUHZHLUCPA-DGCLKSJQSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC000947467851 613224972 /nfs/dbraw/zinc/22/49/72/613224972.db2.gz FXNCMUHZHLUCPA-DGCLKSJQSA-N 1 2 298.408 0.023 20 30 CCEDLO C/C(=C\C(=O)N1CCSC[C@H]1C#N)C[NH+]1CCOCC1 ZINC000901323180 613251261 /nfs/dbraw/zinc/25/12/61/613251261.db2.gz UZDIAXIVIPLHSE-YQCJOKCJSA-N 1 2 295.408 0.732 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000942599535 613277342 /nfs/dbraw/zinc/27/73/42/613277342.db2.gz BEDMVUJJOTWAOS-KOLCDFICSA-N 1 2 264.304 0.622 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000942599535 613277345 /nfs/dbraw/zinc/27/73/45/613277345.db2.gz BEDMVUJJOTWAOS-KOLCDFICSA-N 1 2 264.304 0.622 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nnn(C)c2C)C1 ZINC000949822435 613297743 /nfs/dbraw/zinc/29/77/43/613297743.db2.gz JBDKAPNMXDGNMT-UHFFFAOYSA-N 1 2 277.372 0.846 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000949483528 613317834 /nfs/dbraw/zinc/31/78/34/613317834.db2.gz GGYCFKJNRNSNRX-KGLIPLIRSA-N 1 2 282.384 0.758 20 30 CCEDLO C#CCNC(=O)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892148865 613323511 /nfs/dbraw/zinc/32/35/11/613323511.db2.gz PERQLBZNXDLAQC-UHFFFAOYSA-N 1 2 283.335 0.695 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH+]cn1C ZINC000854498312 613356463 /nfs/dbraw/zinc/35/64/63/613356463.db2.gz CXXIWBYAAOHSCN-GFCCVEGCSA-N 1 2 264.329 0.507 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922734744 613357013 /nfs/dbraw/zinc/35/70/13/613357013.db2.gz HWVDGLXKJFBSNJ-RNQWEJQRSA-N 1 2 282.384 0.708 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCCn1cc[nH+]c1 ZINC000849963404 613359669 /nfs/dbraw/zinc/35/96/69/613359669.db2.gz ZLZCTVMMBMQSQL-LBPRGKRZSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000865303880 613359909 /nfs/dbraw/zinc/35/99/09/613359909.db2.gz OKHWBIGSCHHMAI-NWDGAFQWSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000865303880 613359910 /nfs/dbraw/zinc/35/99/10/613359910.db2.gz OKHWBIGSCHHMAI-NWDGAFQWSA-N 1 2 280.372 0.119 20 30 CCEDLO C=C(C)[C@H](CO)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860081432 613362686 /nfs/dbraw/zinc/36/26/86/613362686.db2.gz XBNIQTSBPOLYNG-NSHDSACASA-N 1 2 275.356 0.770 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000957994422 613380562 /nfs/dbraw/zinc/38/05/62/613380562.db2.gz BNQGNQFETVCUAH-RYUDHWBXSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000957994422 613380563 /nfs/dbraw/zinc/38/05/63/613380563.db2.gz BNQGNQFETVCUAH-RYUDHWBXSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999920 613381351 /nfs/dbraw/zinc/38/13/51/613381351.db2.gz PUGRKJQABTYGEJ-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000957999920 613381352 /nfs/dbraw/zinc/38/13/52/613381352.db2.gz PUGRKJQABTYGEJ-PWSUYJOCSA-N 1 2 299.758 0.758 20 30 CCEDLO C=CC[C@@H]([NH2+]CCCNC(=O)C(C)C)C(=O)OC ZINC000905762540 613405529 /nfs/dbraw/zinc/40/55/29/613405529.db2.gz NLOAAHDPLFNPAI-LLVKDONJSA-N 1 2 256.346 0.856 20 30 CCEDLO C=CC[C@H](C)[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000877940821 613412972 /nfs/dbraw/zinc/41/29/72/613412972.db2.gz JOSPEIWDXUWFRQ-QWHCGFSZSA-N 1 2 272.414 0.756 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000981754003 613431605 /nfs/dbraw/zinc/43/16/05/613431605.db2.gz QQSBULWWDPRXIN-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000981754003 613431609 /nfs/dbraw/zinc/43/16/09/613431609.db2.gz QQSBULWWDPRXIN-NSHDSACASA-N 1 2 267.373 0.607 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000949659345 613433315 /nfs/dbraw/zinc/43/33/15/613433315.db2.gz KZJIWVAGVVMVQR-UHFFFAOYSA-N 1 2 293.411 0.965 20 30 CCEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854220553 613444960 /nfs/dbraw/zinc/44/49/60/613444960.db2.gz VTNPCGWOUJNTHS-VXGBXAGGSA-N 1 2 269.345 0.609 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829048977 613449984 /nfs/dbraw/zinc/44/99/84/613449984.db2.gz VINXVYMHGNGVPI-SNVBAGLBSA-N 1 2 262.300 0.721 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829048977 613449988 /nfs/dbraw/zinc/44/99/88/613449988.db2.gz VINXVYMHGNGVPI-SNVBAGLBSA-N 1 2 262.300 0.721 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000816210911 613453919 /nfs/dbraw/zinc/45/39/19/613453919.db2.gz HVZFBTHJXFSLTQ-JTQLQIEISA-N 1 2 262.300 0.723 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000816210911 613453920 /nfs/dbraw/zinc/45/39/20/613453920.db2.gz HVZFBTHJXFSLTQ-JTQLQIEISA-N 1 2 262.300 0.723 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000868674097 613471141 /nfs/dbraw/zinc/47/11/41/613471141.db2.gz GIBQRUPMEXCSEC-MNOVXSKESA-N 1 2 250.302 0.563 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000895578132 613486629 /nfs/dbraw/zinc/48/66/29/613486629.db2.gz FTEFMXHNVYIOLL-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000895578132 613486630 /nfs/dbraw/zinc/48/66/30/613486630.db2.gz FTEFMXHNVYIOLL-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454222 613509097 /nfs/dbraw/zinc/50/90/97/613509097.db2.gz ZNKUZVOVBPYTEO-YPMHNXCESA-N 1 2 264.329 0.210 20 30 CCEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000801132483 613518002 /nfs/dbraw/zinc/51/80/02/613518002.db2.gz JCKBUSLNLRHAGT-UHFFFAOYSA-N 1 2 285.347 0.453 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941401055 613528937 /nfs/dbraw/zinc/52/89/37/613528937.db2.gz PJDCWFISVUJEMN-UHFFFAOYSA-N 1 2 285.391 0.252 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC000941361415 613529148 /nfs/dbraw/zinc/52/91/48/613529148.db2.gz ZQGLPFVLOVKUIT-VOTSOKGWSA-N 1 2 287.407 0.804 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000941363101 613529734 /nfs/dbraw/zinc/52/97/34/613529734.db2.gz MNVMBGKBSSJWKC-AWEZNQCLSA-N 1 2 289.423 0.884 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC000957693928 613561766 /nfs/dbraw/zinc/56/17/66/613561766.db2.gz GJUKPPGDXPILKB-UHFFFAOYSA-N 1 2 277.368 0.166 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC000949848137 613561860 /nfs/dbraw/zinc/56/18/60/613561860.db2.gz KDEXEPPEZRORIF-UHFFFAOYSA-N 1 2 287.363 0.887 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000957773485 613562551 /nfs/dbraw/zinc/56/25/51/613562551.db2.gz PCEMRXGIMFRAAE-UHFFFAOYSA-N 1 2 274.368 0.749 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392530 613570958 /nfs/dbraw/zinc/57/09/58/613570958.db2.gz YAMAUAQWYCNFLJ-INIZCTEOSA-N 1 2 287.363 0.955 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392530 613570961 /nfs/dbraw/zinc/57/09/61/613570961.db2.gz YAMAUAQWYCNFLJ-INIZCTEOSA-N 1 2 287.363 0.955 20 30 CCEDLO C=CCCONC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000912627212 613576037 /nfs/dbraw/zinc/57/60/37/613576037.db2.gz AQEWGBQOYADIPN-ZRDIBKRKSA-N 1 2 254.330 0.889 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC000947342996 613577963 /nfs/dbraw/zinc/57/79/63/613577963.db2.gz MRXNKIXDGZDIJY-WCQYABFASA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC000947342996 613577965 /nfs/dbraw/zinc/57/79/65/613577965.db2.gz MRXNKIXDGZDIJY-WCQYABFASA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838115388 613588635 /nfs/dbraw/zinc/58/86/35/613588635.db2.gz OPWUKCSOLICQEG-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838115388 613588636 /nfs/dbraw/zinc/58/86/36/613588636.db2.gz OPWUKCSOLICQEG-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)nn1 ZINC000846866883 613598713 /nfs/dbraw/zinc/59/87/13/613598713.db2.gz CSWUWFHMRZBOIB-UHFFFAOYSA-N 1 2 291.355 0.929 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(CC)C2=O)nn1 ZINC000922640046 613599279 /nfs/dbraw/zinc/59/92/79/613599279.db2.gz UVEUYMYYZRSWCG-ZDUSSCGKSA-N 1 2 277.372 0.955 20 30 CCEDLO C=CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H](C)COC ZINC000869237372 613606996 /nfs/dbraw/zinc/60/69/96/613606996.db2.gz GBUWPFFKWBAXND-MWLCHTKSSA-N 1 2 253.302 0.493 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000959914055 613637868 /nfs/dbraw/zinc/63/78/68/613637868.db2.gz NJLKYPMBCMCAIL-YYWXWVFPSA-N 1 2 298.390 0.899 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000959914055 613637871 /nfs/dbraw/zinc/63/78/71/613637871.db2.gz NJLKYPMBCMCAIL-YYWXWVFPSA-N 1 2 298.390 0.899 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)n(C)n2)nn1 ZINC000881301406 613645179 /nfs/dbraw/zinc/64/51/79/613645179.db2.gz WCPBLIALLQCPOG-UHFFFAOYSA-N 1 2 278.747 0.826 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC000957296333 613653503 /nfs/dbraw/zinc/65/35/03/613653503.db2.gz SKBLSZNGWXXCMJ-AWEZNQCLSA-N 1 2 279.384 0.716 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951186863 613654812 /nfs/dbraw/zinc/65/48/12/613654812.db2.gz WIZWXQMIZISNRH-ITGUQSILSA-N 1 2 250.342 0.598 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000950609604 613659408 /nfs/dbraw/zinc/65/94/08/613659408.db2.gz YCEORTCGPMDEKF-UHFFFAOYSA-N 1 2 290.367 0.719 20 30 CCEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n[nH]3)CC2)C1 ZINC000941333061 613661494 /nfs/dbraw/zinc/66/14/94/613661494.db2.gz RUMPEWJSFPWJJF-UHFFFAOYSA-N 1 2 289.383 0.346 20 30 CCEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1 ZINC000941333061 613661496 /nfs/dbraw/zinc/66/14/96/613661496.db2.gz RUMPEWJSFPWJJF-UHFFFAOYSA-N 1 2 289.383 0.346 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC000948712819 613713259 /nfs/dbraw/zinc/71/32/59/613713259.db2.gz RZEQHXNKXMVPGK-ZDUSSCGKSA-N 1 2 286.379 0.912 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000957895717 613717341 /nfs/dbraw/zinc/71/73/41/613717341.db2.gz DTAXELXPNDLION-UHFFFAOYSA-N 1 2 298.350 0.606 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CCCN(C(=O)CC)CC2)C1=O ZINC000839984938 613719835 /nfs/dbraw/zinc/71/98/35/613719835.db2.gz ZSORZEDPYLQHKJ-UHFFFAOYSA-N 1 2 294.399 0.812 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CCCN(C(=O)CC)CC2)C1=O ZINC000839984938 613719837 /nfs/dbraw/zinc/71/98/37/613719837.db2.gz ZSORZEDPYLQHKJ-UHFFFAOYSA-N 1 2 294.399 0.812 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972308234 613724978 /nfs/dbraw/zinc/72/49/78/613724978.db2.gz JLNQKDKZYAJEEM-GOEBONIOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972308234 613724979 /nfs/dbraw/zinc/72/49/79/613724979.db2.gz JLNQKDKZYAJEEM-GOEBONIOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972308233 613725321 /nfs/dbraw/zinc/72/53/21/613725321.db2.gz JLNQKDKZYAJEEM-GDBMZVCRSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCOC3)C2)C1 ZINC000972308233 613725326 /nfs/dbraw/zinc/72/53/26/613725326.db2.gz JLNQKDKZYAJEEM-GDBMZVCRSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921972840 613847342 /nfs/dbraw/zinc/84/73/42/613847342.db2.gz JIPUYBUZTGVRJC-UHFFFAOYSA-N 1 2 291.380 0.935 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000884092169 613877328 /nfs/dbraw/zinc/87/73/28/613877328.db2.gz UYBUQZMSJJAAGR-LBPRGKRZSA-N 1 2 292.335 0.797 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cnn(CC)c1 ZINC000884222257 613877391 /nfs/dbraw/zinc/87/73/91/613877391.db2.gz MOKVQRFMIXFYRW-LBPRGKRZSA-N 1 2 294.355 0.308 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@@H]1C ZINC000884138248 613877801 /nfs/dbraw/zinc/87/78/01/613877801.db2.gz INZHHUIHTNUQOG-UWVGGRQHSA-N 1 2 272.370 0.397 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc(C)cs1 ZINC000884193240 613878101 /nfs/dbraw/zinc/87/81/01/613878101.db2.gz ZNFZYUMDFNNCHX-JTQLQIEISA-N 1 2 297.380 0.557 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccccc1 ZINC000884043999 613878249 /nfs/dbraw/zinc/87/82/49/613878249.db2.gz QNTYLXKCRXZXMZ-ZDUSSCGKSA-N 1 2 276.336 0.792 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccn1 ZINC000884006755 613878335 /nfs/dbraw/zinc/87/83/35/613878335.db2.gz AUEWKYSBPZUQCM-NSHDSACASA-N 1 2 263.297 0.144 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000884428172 613878368 /nfs/dbraw/zinc/87/83/68/613878368.db2.gz UXYJJFVQSPVVDK-NDBYEHHHSA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000884376774 613878566 /nfs/dbraw/zinc/87/85/66/613878566.db2.gz QBUMPURKIRGWRD-KKOKHZNYSA-N 1 2 266.341 0.738 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1sc(C)nc1C ZINC000884224893 613878584 /nfs/dbraw/zinc/87/85/84/613878584.db2.gz BYLFZULVFZKBSF-JTQLQIEISA-N 1 2 297.380 0.823 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000884466216 613878757 /nfs/dbraw/zinc/87/87/57/613878757.db2.gz VGSBGYRNZLAYPC-GJMOJQLCSA-N 1 2 280.246 0.500 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446771 613879617 /nfs/dbraw/zinc/87/96/17/613879617.db2.gz IRHHCFZFEGDQNO-ZDUSSCGKSA-N 1 2 278.356 0.865 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCn2ccnc21 ZINC000848543520 613885963 /nfs/dbraw/zinc/88/59/63/613885963.db2.gz GXTURPGNLDWKAI-NSHDSACASA-N 1 2 269.370 0.908 20 30 CCEDLO CC(C)CN(C(=O)CO[NH+]=C(N)CCO)C1CC1 ZINC000121425304 614064170 /nfs/dbraw/zinc/06/41/70/614064170.db2.gz DHSBZXASLVBMEJ-UHFFFAOYSA-N 1 2 257.334 0.305 20 30 CCEDLO CC(C)n1ccnc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157008 614365388 /nfs/dbraw/zinc/36/53/88/614365388.db2.gz KQNADFHVDZNHGK-SNVBAGLBSA-N 1 2 252.318 0.934 20 30 CCEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(CC#N)C1 ZINC000951781918 614652123 /nfs/dbraw/zinc/65/21/23/614652123.db2.gz PNFMQMNKJVMGAC-CHWSQXEVSA-N 1 2 287.367 0.580 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000615546774 614655611 /nfs/dbraw/zinc/65/56/11/614655611.db2.gz PRCNWSWHKIVKJE-AWEZNQCLSA-N 1 2 298.362 0.744 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@](F)(C#N)C2)CCO1 ZINC000615546774 614655614 /nfs/dbraw/zinc/65/56/14/614655614.db2.gz PRCNWSWHKIVKJE-AWEZNQCLSA-N 1 2 298.362 0.744 20 30 CCEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@H](C)O)C1 ZINC000949913035 614724636 /nfs/dbraw/zinc/72/46/36/614724636.db2.gz NHIHOAWMIYVECU-JTQLQIEISA-N 1 2 276.340 0.413 20 30 CCEDLO CC[C@@H](C#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900472878 615366173 /nfs/dbraw/zinc/36/61/73/615366173.db2.gz YWKXVWFCHRKZDV-OBIHZWKSSA-N 1 2 251.330 0.683 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019446 615382911 /nfs/dbraw/zinc/38/29/11/615382911.db2.gz UQNXWYGQGMJDOV-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886019446 615382916 /nfs/dbraw/zinc/38/29/16/615382916.db2.gz UQNXWYGQGMJDOV-QWHCGFSZSA-N 1 2 296.367 0.695 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C#N ZINC000874700551 615566940 /nfs/dbraw/zinc/56/69/40/615566940.db2.gz KKVAGXJLFJLTTA-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C#N ZINC000874700551 615566941 /nfs/dbraw/zinc/56/69/41/615566941.db2.gz KKVAGXJLFJLTTA-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801909399 615674281 /nfs/dbraw/zinc/67/42/81/615674281.db2.gz DSVOLBHLPOREGF-KBPBESRZSA-N 1 2 296.415 0.447 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C#N ZINC000921881991 615717145 /nfs/dbraw/zinc/71/71/45/615717145.db2.gz YHUFCOLIWJKRHL-NWDGAFQWSA-N 1 2 268.361 0.556 20 30 CCEDLO CN(C)c1ncc(C=[NH+]NCCS(C)(=O)=O)s1 ZINC000755734953 616035577 /nfs/dbraw/zinc/03/55/77/616035577.db2.gz YPXXGMLCPQKQPH-UHFFFAOYSA-N 1 2 276.387 0.177 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811007 616040268 /nfs/dbraw/zinc/04/02/68/616040268.db2.gz NPKLUKCUJLTEBL-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560703 616067466 /nfs/dbraw/zinc/06/74/66/616067466.db2.gz MBVQHRGQPOTHIF-SNVBAGLBSA-N 1 2 275.299 0.714 20 30 CCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560703 616067467 /nfs/dbraw/zinc/06/74/67/616067467.db2.gz MBVQHRGQPOTHIF-SNVBAGLBSA-N 1 2 275.299 0.714 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccsc2C#N)C[C@@H]1CO ZINC000913555640 616231371 /nfs/dbraw/zinc/23/13/71/616231371.db2.gz JCKQVOFDGRZGAK-SECBINFHSA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccsc2C#N)C[C@@H]1CO ZINC000913555640 616231372 /nfs/dbraw/zinc/23/13/72/616231372.db2.gz JCKQVOFDGRZGAK-SECBINFHSA-N 1 2 265.338 0.368 20 30 CCEDLO C[N@@H+]1CCN(Cc2nc(C#N)cs2)C[C@@H]1CO ZINC000931400027 616245794 /nfs/dbraw/zinc/24/57/94/616245794.db2.gz JFZYYSSRSOWZSB-SNVBAGLBSA-N 1 2 252.343 0.123 20 30 CCEDLO C[N@H+]1CCN(Cc2nc(C#N)cs2)C[C@@H]1CO ZINC000931400027 616245795 /nfs/dbraw/zinc/24/57/95/616245795.db2.gz JFZYYSSRSOWZSB-SNVBAGLBSA-N 1 2 252.343 0.123 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000930957229 616326479 /nfs/dbraw/zinc/32/64/79/616326479.db2.gz AMCZBUUNDNQVLO-NEPJUHHUSA-N 1 2 281.356 0.442 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879585743 616407573 /nfs/dbraw/zinc/40/75/73/616407573.db2.gz NVRDHYTYZJZIIJ-HNNXBMFYSA-N 1 2 284.363 0.911 20 30 CCEDLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776294 616603608 /nfs/dbraw/zinc/60/36/08/616603608.db2.gz AHCYPVGFUSBNGO-VIFPVBQESA-N 1 2 295.364 0.729 20 30 CCEDLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776294 616603610 /nfs/dbraw/zinc/60/36/10/616603610.db2.gz AHCYPVGFUSBNGO-VIFPVBQESA-N 1 2 295.364 0.729 20 30 CCEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)C1CCOCC1 ZINC000880340990 616635123 /nfs/dbraw/zinc/63/51/23/616635123.db2.gz NPPHLBUPWWMIOI-GFCCVEGCSA-N 1 2 270.329 0.474 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)C1(O)CCCC1 ZINC000929774559 616992903 /nfs/dbraw/zinc/99/29/03/616992903.db2.gz BQVNQOCAWBJBKF-LBPRGKRZSA-N 1 2 256.346 0.514 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)C1(O)CCCC1 ZINC000929774559 616992905 /nfs/dbraw/zinc/99/29/05/616992905.db2.gz BQVNQOCAWBJBKF-LBPRGKRZSA-N 1 2 256.346 0.514 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000879029374 617037240 /nfs/dbraw/zinc/03/72/40/617037240.db2.gz NRHVIGVTEKIDPS-GXTWGEPZSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000879029374 617037241 /nfs/dbraw/zinc/03/72/41/617037241.db2.gz NRHVIGVTEKIDPS-GXTWGEPZSA-N 1 2 284.356 0.959 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852633817 617038010 /nfs/dbraw/zinc/03/80/10/617038010.db2.gz IHYZYPSGBKGTMZ-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCO[C@@H](C)C#N ZINC000852633817 617038014 /nfs/dbraw/zinc/03/80/14/617038014.db2.gz IHYZYPSGBKGTMZ-WCQYABFASA-N 1 2 270.329 0.569 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269704 622739235 /nfs/dbraw/zinc/73/92/35/622739235.db2.gz QOGZOSKQXHQXGF-JSGCOSHPSA-N 1 2 282.409 0.674 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269704 622739240 /nfs/dbraw/zinc/73/92/40/622739240.db2.gz QOGZOSKQXHQXGF-JSGCOSHPSA-N 1 2 282.409 0.674 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000236131543 623469443 /nfs/dbraw/zinc/46/94/43/623469443.db2.gz DTTAFJKNJNCLDD-GFCCVEGCSA-N 1 2 257.297 0.510 20 30 CCEDLO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000970407712 624684332 /nfs/dbraw/zinc/68/43/32/624684332.db2.gz NTXJRMCIFRIWAW-CMPLNLGQSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000289279052 624720541 /nfs/dbraw/zinc/72/05/41/624720541.db2.gz XAEKZOQZLGLJEB-GFCCVEGCSA-N 1 2 279.365 0.603 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435858 625881154 /nfs/dbraw/zinc/88/11/54/625881154.db2.gz MFLUPQRHENIZQE-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435858 625881160 /nfs/dbraw/zinc/88/11/60/625881160.db2.gz MFLUPQRHENIZQE-ZDUSSCGKSA-N 1 2 275.356 0.789 20 30 CCEDLO C[C@@H]1/C(=C/c2c[nH+]c(N(C)C)n2C)C(=O)c2ncnn21 ZINC000905084998 634790015 /nfs/dbraw/zinc/79/00/15/634790015.db2.gz LAEZWLGWNXDUOB-VUMIPSPVSA-N 1 2 272.312 0.919 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027758185 630897824 /nfs/dbraw/zinc/89/78/24/630897824.db2.gz SHYMSZONNUCZIF-RYUDHWBXSA-N 1 2 288.775 0.735 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027758185 630897827 /nfs/dbraw/zinc/89/78/27/630897827.db2.gz SHYMSZONNUCZIF-RYUDHWBXSA-N 1 2 288.775 0.735 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(CC#N)CC[C@@H]1C ZINC000968592731 650021680 /nfs/dbraw/zinc/02/16/80/650021680.db2.gz PKZBAPAFVMIITM-GWCFXTLKSA-N 1 2 275.356 0.611 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007454702 650078606 /nfs/dbraw/zinc/07/86/06/650078606.db2.gz YSNRXZCEPFFOKK-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001007454702 650078607 /nfs/dbraw/zinc/07/86/07/650078607.db2.gz YSNRXZCEPFFOKK-VXGBXAGGSA-N 1 2 299.802 0.798 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001007941815 650097771 /nfs/dbraw/zinc/09/77/71/650097771.db2.gz CTXBFVKUYYNEGR-NSHDSACASA-N 1 2 289.335 0.211 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001007941815 650097772 /nfs/dbraw/zinc/09/77/72/650097772.db2.gz CTXBFVKUYYNEGR-NSHDSACASA-N 1 2 289.335 0.211 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986627024 632783676 /nfs/dbraw/zinc/78/36/76/632783676.db2.gz DIBIXRJPJYUEHS-RYUDHWBXSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NCC#N)[C@@H]1C ZINC000987413955 632866740 /nfs/dbraw/zinc/86/67/40/632866740.db2.gz HJGUQZIIMXPIJN-WDEREUQCSA-N 1 2 261.329 0.363 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001008150881 650103244 /nfs/dbraw/zinc/10/32/44/650103244.db2.gz WFHLGHNOHBIOSM-AWEZNQCLSA-N 1 2 285.347 0.347 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001008150881 650103245 /nfs/dbraw/zinc/10/32/45/650103245.db2.gz WFHLGHNOHBIOSM-AWEZNQCLSA-N 1 2 285.347 0.347 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008203625 650105748 /nfs/dbraw/zinc/10/57/48/650105748.db2.gz MNWWVYHNGOSVCD-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001008203625 650105750 /nfs/dbraw/zinc/10/57/50/650105750.db2.gz MNWWVYHNGOSVCD-NEPJUHHUSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000989436034 633226674 /nfs/dbraw/zinc/22/66/74/633226674.db2.gz KUHPFRNWRJXVSI-CYBMUJFWSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000989436034 633226678 /nfs/dbraw/zinc/22/66/78/633226678.db2.gz KUHPFRNWRJXVSI-CYBMUJFWSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000989436034 633226682 /nfs/dbraw/zinc/22/66/82/633226682.db2.gz KUHPFRNWRJXVSI-CYBMUJFWSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000989436034 633226687 /nfs/dbraw/zinc/22/66/87/633226687.db2.gz KUHPFRNWRJXVSI-CYBMUJFWSA-N 1 2 286.379 0.682 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cc1c[nH+]cn1C ZINC000989674860 633342665 /nfs/dbraw/zinc/34/26/65/633342665.db2.gz CQPVLFQITXWXRD-GHMZBOCLSA-N 1 2 261.329 0.065 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001008463735 650115998 /nfs/dbraw/zinc/11/59/98/650115998.db2.gz IUKPFQHUNQYQQQ-QWHCGFSZSA-N 1 2 291.395 0.812 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001008463735 650116001 /nfs/dbraw/zinc/11/60/01/650116001.db2.gz IUKPFQHUNQYQQQ-QWHCGFSZSA-N 1 2 291.395 0.812 20 30 CCEDLO CC[C@H](C#N)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900472876 634024173 /nfs/dbraw/zinc/02/41/73/634024173.db2.gz YWKXVWFCHRKZDV-NXIHDVOMSA-N 1 2 251.330 0.683 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccsc2C#N)CC[N@@H+]1CCO ZINC000907542673 635148768 /nfs/dbraw/zinc/14/87/68/635148768.db2.gz DBKNBJQBIDDHLV-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2ccsc2C#N)CC[N@H+]1CCO ZINC000907542673 635148774 /nfs/dbraw/zinc/14/87/74/635148774.db2.gz DBKNBJQBIDDHLV-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)N1CC#N ZINC000911698731 636343739 /nfs/dbraw/zinc/34/37/39/636343739.db2.gz RPIWLUMGQJOPJN-GHMZBOCLSA-N 1 2 261.329 0.397 20 30 CCEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010642139 650249078 /nfs/dbraw/zinc/24/90/78/650249078.db2.gz ICDMQBNEMIPMHC-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010642139 650249080 /nfs/dbraw/zinc/24/90/80/650249080.db2.gz ICDMQBNEMIPMHC-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010780134 650263277 /nfs/dbraw/zinc/26/32/77/650263277.db2.gz KQDMQEJMIWVVEV-VIFPVBQESA-N 1 2 285.731 0.535 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001010780134 650263282 /nfs/dbraw/zinc/26/32/82/650263282.db2.gz KQDMQEJMIWVVEV-VIFPVBQESA-N 1 2 285.731 0.535 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874307 650276203 /nfs/dbraw/zinc/27/62/03/650276203.db2.gz GFKADFCXZSASPY-JTQLQIEISA-N 1 2 284.747 0.864 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001010874307 650276205 /nfs/dbraw/zinc/27/62/05/650276205.db2.gz GFKADFCXZSASPY-JTQLQIEISA-N 1 2 284.747 0.864 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)o1 ZINC000913453215 636811419 /nfs/dbraw/zinc/81/14/19/636811419.db2.gz KMOQQMUYDRSCAI-LLVKDONJSA-N 1 2 271.280 0.661 20 30 CCEDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)n3C)CC[NH2+]2)cn1 ZINC000913460549 636813234 /nfs/dbraw/zinc/81/32/34/636813234.db2.gz PAEZABQMDBGNIE-ZDUSSCGKSA-N 1 2 298.350 0.417 20 30 CCEDLO CC1CC(C#N)(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)C1 ZINC000913467115 636819985 /nfs/dbraw/zinc/81/99/85/636819985.db2.gz JRLRVGNAPFVDHV-QRJNDHJOSA-N 1 2 287.367 0.833 20 30 CCEDLO CN(C(=O)CO[NH+]=C(N)Cc1cccnc1)C1CC1 ZINC000156687041 636871333 /nfs/dbraw/zinc/87/13/33/636871333.db2.gz RJMKQLXZTQLDGN-UHFFFAOYSA-N 1 2 262.313 0.534 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011728991 650313241 /nfs/dbraw/zinc/31/32/41/650313241.db2.gz XFTBSIKOGGFZMV-LBPRGKRZSA-N 1 2 289.339 0.104 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014984355 637277232 /nfs/dbraw/zinc/27/72/32/637277232.db2.gz SFRJEBKJPBRFFR-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015260775 637508688 /nfs/dbraw/zinc/50/86/88/637508688.db2.gz ZYNJEINAMMDUHJ-LLVKDONJSA-N 1 2 273.336 0.991 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015260775 637508692 /nfs/dbraw/zinc/50/86/92/637508692.db2.gz ZYNJEINAMMDUHJ-LLVKDONJSA-N 1 2 273.336 0.991 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccn2)[C@@H]1C ZINC000993388495 637799532 /nfs/dbraw/zinc/79/95/32/637799532.db2.gz DTVFKGNFVPMMPX-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)[C@@H]1C ZINC000993388495 637799537 /nfs/dbraw/zinc/79/95/37/637799537.db2.gz DTVFKGNFVPMMPX-NWDGAFQWSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001015672313 637815276 /nfs/dbraw/zinc/81/52/76/637815276.db2.gz QPUDZSIHSBHMSV-QWRGUYRKSA-N 1 2 265.357 0.407 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001015672313 637815281 /nfs/dbraw/zinc/81/52/81/637815281.db2.gz QPUDZSIHSBHMSV-QWRGUYRKSA-N 1 2 265.357 0.407 20 30 CCEDLO C=CCCOCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800150794 637824052 /nfs/dbraw/zinc/82/40/52/637824052.db2.gz AETPYBYWOORFBR-LBPRGKRZSA-N 1 2 257.330 0.843 20 30 CCEDLO C=CCCOCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800150794 637824053 /nfs/dbraw/zinc/82/40/53/637824053.db2.gz AETPYBYWOORFBR-LBPRGKRZSA-N 1 2 257.330 0.843 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993677143 637830736 /nfs/dbraw/zinc/83/07/36/637830736.db2.gz YAOHOXUHDMUJPM-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993677143 637830738 /nfs/dbraw/zinc/83/07/38/637830738.db2.gz YAOHOXUHDMUJPM-SWLSCSKDSA-N 1 2 299.374 0.736 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1CC#N ZINC000993886007 637852416 /nfs/dbraw/zinc/85/24/16/637852416.db2.gz KYJVZPAVDNPWKH-PWSUYJOCSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921411859 638178121 /nfs/dbraw/zinc/17/81/21/638178121.db2.gz ABZCUBSFKZJMFF-GFCCVEGCSA-N 1 2 297.355 0.988 20 30 CCEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921411859 638178125 /nfs/dbraw/zinc/17/81/25/638178125.db2.gz ABZCUBSFKZJMFF-GFCCVEGCSA-N 1 2 297.355 0.988 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068903473 638277637 /nfs/dbraw/zinc/27/76/37/638277637.db2.gz KHYGDTAMCPKUHA-UHFFFAOYSA-N 1 2 283.397 0.651 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1C ZINC000944445919 638769348 /nfs/dbraw/zinc/76/93/48/638769348.db2.gz QVFRJACUBDJIAJ-JQWIXIFHSA-N 1 2 275.356 0.611 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996512086 638820485 /nfs/dbraw/zinc/82/04/85/638820485.db2.gz AMNAGHHANHOCGE-LBPRGKRZSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000998746950 638938506 /nfs/dbraw/zinc/93/85/06/638938506.db2.gz QJHNNCFAGDMXHD-NXEZZACHSA-N 1 2 279.369 0.778 20 30 CCEDLO CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000998758167 638939673 /nfs/dbraw/zinc/93/96/73/638939673.db2.gz ZRFPFJLEWFFEJY-QWRGUYRKSA-N 1 2 291.355 0.872 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C)nn2)CC1 ZINC001000638768 639145098 /nfs/dbraw/zinc/14/50/98/639145098.db2.gz HIOGOJDRQAEWQT-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C)nn2)CC1 ZINC001000638768 639145102 /nfs/dbraw/zinc/14/51/02/639145102.db2.gz HIOGOJDRQAEWQT-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710401 650481317 /nfs/dbraw/zinc/48/13/17/650481317.db2.gz GOVDQWZTEBKSMT-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014710401 650481320 /nfs/dbraw/zinc/48/13/20/650481320.db2.gz GOVDQWZTEBKSMT-QWRGUYRKSA-N 1 2 285.775 0.456 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(CC#N)C2)c[nH+]1 ZINC001014922239 650503736 /nfs/dbraw/zinc/50/37/36/650503736.db2.gz ZUMGMUHAGKFTJY-LBPRGKRZSA-N 1 2 275.356 0.641 20 30 CCEDLO C[C@H](C(=O)OCCCc1[nH+]ccn1C)n1cnc(C#N)n1 ZINC000802784731 640703682 /nfs/dbraw/zinc/70/36/82/640703682.db2.gz DUSNGBNUNVCFCE-SNVBAGLBSA-N 1 2 288.311 0.620 20 30 CCEDLO C[S@@](=O)CC[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000804498732 640769592 /nfs/dbraw/zinc/76/95/92/640769592.db2.gz RVACJPUYRKBBSO-LJQANCHMSA-N 1 2 278.381 0.454 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015717816 650615882 /nfs/dbraw/zinc/61/58/82/650615882.db2.gz YONPKHRNDFRDBC-BBBLOLIVSA-N 1 2 271.748 0.051 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015717816 650615883 /nfs/dbraw/zinc/61/58/83/650615883.db2.gz YONPKHRNDFRDBC-BBBLOLIVSA-N 1 2 271.748 0.051 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809570793 640899807 /nfs/dbraw/zinc/89/98/07/640899807.db2.gz AEUPEPRYLYJBCF-CQSZACIVSA-N 1 2 290.323 0.991 20 30 CCEDLO C[C@@H]1C[N@H+](CCOC(=O)CC2(C#N)CC2)CCO1 ZINC000815413264 641110113 /nfs/dbraw/zinc/11/01/13/641110113.db2.gz KJHJXTGNHYAUEM-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO C[C@@H]1C[N@@H+](CCOC(=O)CC2(C#N)CC2)CCO1 ZINC000815413264 641110118 /nfs/dbraw/zinc/11/01/18/641110118.db2.gz KJHJXTGNHYAUEM-LLVKDONJSA-N 1 2 252.314 0.944 20 30 CCEDLO O=C(N[C@@H]1CCN(O)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816693582 641196777 /nfs/dbraw/zinc/19/67/77/641196777.db2.gz OBPHFAAZEIQEDK-GFCCVEGCSA-N 1 2 286.291 0.592 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016230908 650700958 /nfs/dbraw/zinc/70/09/58/650700958.db2.gz VVCBDNHTYZIGGT-NSHDSACASA-N 1 2 271.324 0.948 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016230908 650700959 /nfs/dbraw/zinc/70/09/59/650700959.db2.gz VVCBDNHTYZIGGT-NSHDSACASA-N 1 2 271.324 0.948 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](CC[S@](C)=O)CC2)c1C#N ZINC000828414764 642091810 /nfs/dbraw/zinc/09/18/10/642091810.db2.gz FCYJAXSJASQVNE-FQEVSTJZSA-N 1 2 295.412 0.101 20 30 CCEDLO NS(=O)(=O)c1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834938547 642643008 /nfs/dbraw/zinc/64/30/08/642643008.db2.gz KYNWGXBXOUMFAX-LURJTMIESA-N 1 2 276.268 0.782 20 30 CCEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121424889 642670763 /nfs/dbraw/zinc/67/07/63/642670763.db2.gz RYEPRONONHAVSR-QWRGUYRKSA-N 1 2 271.361 0.695 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C#CC(C)(C)C ZINC000837460685 642745940 /nfs/dbraw/zinc/74/59/40/642745940.db2.gz UCJVBWXLHXUTAR-ZDUSSCGKSA-N 1 2 282.384 0.187 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH]n1 ZINC001017434966 650802296 /nfs/dbraw/zinc/80/22/96/650802296.db2.gz KPQLDVKYUFWZKJ-OKILXGFUSA-N 1 2 272.352 0.651 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH]n1 ZINC001017434966 650802299 /nfs/dbraw/zinc/80/22/99/650802299.db2.gz KPQLDVKYUFWZKJ-OKILXGFUSA-N 1 2 272.352 0.651 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000843461715 643066580 /nfs/dbraw/zinc/06/65/80/643066580.db2.gz WIUDJTPBVOVZEO-LNLATYFQSA-N 1 2 259.313 0.057 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2[nH]cnc21 ZINC001017589576 650812856 /nfs/dbraw/zinc/81/28/56/650812856.db2.gz DNZMFOPXIWVOEY-TXEJJXNPSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2[nH]cnc21 ZINC001017589576 650812858 /nfs/dbraw/zinc/81/28/58/650812858.db2.gz DNZMFOPXIWVOEY-TXEJJXNPSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC(=O)NC1 ZINC001017610732 650813511 /nfs/dbraw/zinc/81/35/11/650813511.db2.gz GPGRYEHJRGOBLU-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC(=O)NC1 ZINC001017610732 650813513 /nfs/dbraw/zinc/81/35/13/650813513.db2.gz GPGRYEHJRGOBLU-MELADBBJSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC ZINC001017687875 650818085 /nfs/dbraw/zinc/81/80/85/650818085.db2.gz UUOQWQGTRIXNNG-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC ZINC001017687875 650818086 /nfs/dbraw/zinc/81/80/86/650818086.db2.gz UUOQWQGTRIXNNG-QLFBSQMISA-N 1 2 291.395 0.016 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001017848450 650826200 /nfs/dbraw/zinc/82/62/00/650826200.db2.gz BQDHJSUGMDDHHS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001017848450 650826202 /nfs/dbraw/zinc/82/62/02/650826202.db2.gz BQDHJSUGMDDHHS-BETUJISGSA-N 1 2 272.352 0.651 20 30 CCEDLO C[C@H](CC(=O)OCC(=O)NCCC#N)n1cc[nH+]c1 ZINC000845277070 643299117 /nfs/dbraw/zinc/29/91/17/643299117.db2.gz LAQRTMPVAPEXHP-SNVBAGLBSA-N 1 2 264.285 0.407 20 30 CCEDLO C[C@H](CC(=O)OCCn1ncc(C#N)c1N)n1cc[nH+]c1 ZINC000845462534 643319332 /nfs/dbraw/zinc/31/93/32/643319332.db2.gz WKLWAWDLOKHSSI-SNVBAGLBSA-N 1 2 288.311 0.728 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OC)nc1 ZINC001018136479 650844793 /nfs/dbraw/zinc/84/47/93/650844793.db2.gz AMZIGKAVLOGKQH-BETUJISGSA-N 1 2 288.351 0.960 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OC)nc1 ZINC001018136479 650844794 /nfs/dbraw/zinc/84/47/94/650844794.db2.gz AMZIGKAVLOGKQH-BETUJISGSA-N 1 2 288.351 0.960 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(N)=O)c[nH]1 ZINC001018111636 650844095 /nfs/dbraw/zinc/84/40/95/650844095.db2.gz MGGHVRBNEPDTKB-TXEJJXNPSA-N 1 2 286.335 0.036 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(N)=O)c[nH]1 ZINC001018111636 650844096 /nfs/dbraw/zinc/84/40/96/650844096.db2.gz MGGHVRBNEPDTKB-TXEJJXNPSA-N 1 2 286.335 0.036 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000847483932 643524251 /nfs/dbraw/zinc/52/42/51/643524251.db2.gz JCHPISYIMVEFTR-FZMZJTMJSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000847483932 643524259 /nfs/dbraw/zinc/52/42/59/643524259.db2.gz JCHPISYIMVEFTR-FZMZJTMJSA-N 1 2 287.367 0.787 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C(N)=O)c1 ZINC001018281982 650851184 /nfs/dbraw/zinc/85/11/84/650851184.db2.gz MFBIHGQTTZHGFR-OKILXGFUSA-N 1 2 298.346 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C(N)=O)c1 ZINC001018281982 650851185 /nfs/dbraw/zinc/85/11/85/650851185.db2.gz MFBIHGQTTZHGFR-OKILXGFUSA-N 1 2 298.346 0.103 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851744294 643876607 /nfs/dbraw/zinc/87/66/07/643876607.db2.gz BBQCOSUACLEBEN-BXUZGUMPSA-N 1 2 261.325 0.451 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851744294 643876612 /nfs/dbraw/zinc/87/66/12/643876612.db2.gz BBQCOSUACLEBEN-BXUZGUMPSA-N 1 2 261.325 0.451 20 30 CCEDLO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018633144 650887151 /nfs/dbraw/zinc/88/71/51/650887151.db2.gz UPUVHKWWQNTVRG-ZJUUUORDSA-N 1 2 277.328 0.482 20 30 CCEDLO O=S1(=O)CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000853372459 644102887 /nfs/dbraw/zinc/10/28/87/644102887.db2.gz OJHDCYWQJIKMOJ-UHFFFAOYSA-N 1 2 284.385 0.818 20 30 CCEDLO N#C[C@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CCSC1 ZINC000865078453 645319646 /nfs/dbraw/zinc/31/96/46/645319646.db2.gz WQHWVTWASHOWBB-ZIYVKSGCSA-N 1 2 281.381 0.390 20 30 CCEDLO C[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)Cn1cc[nH+]c1 ZINC000866002458 645458239 /nfs/dbraw/zinc/45/82/39/645458239.db2.gz YCRSKUTWTXYCMV-GXTWGEPZSA-N 1 2 276.340 0.956 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)CCCOC1 ZINC000867931065 645683703 /nfs/dbraw/zinc/68/37/03/645683703.db2.gz JVTAVSMOQUBESN-ZFWWWQNUSA-N 1 2 295.383 0.486 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312325 651058036 /nfs/dbraw/zinc/05/80/36/651058036.db2.gz GYPSLNNZCVFLIQ-IJLUTSLNSA-N 1 2 273.340 0.206 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268427 646234976 /nfs/dbraw/zinc/23/49/76/646234976.db2.gz ILNLSYWHIXLNEX-VIFPVBQESA-N 1 2 261.272 0.372 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268427 646234977 /nfs/dbraw/zinc/23/49/77/646234977.db2.gz ILNLSYWHIXLNEX-VIFPVBQESA-N 1 2 261.272 0.372 20 30 CCEDLO C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000872371209 646251792 /nfs/dbraw/zinc/25/17/92/646251792.db2.gz JJDXLRSPCYKFCZ-GFCCVEGCSA-N 1 2 254.378 0.378 20 30 CCEDLO C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CCN1C ZINC000872371209 646251797 /nfs/dbraw/zinc/25/17/97/646251797.db2.gz JJDXLRSPCYKFCZ-GFCCVEGCSA-N 1 2 254.378 0.378 20 30 CCEDLO N#CCC1(C[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)CC1 ZINC000879723911 647102992 /nfs/dbraw/zinc/10/29/92/647102992.db2.gz CHECSEWAELPUSQ-RYUDHWBXSA-N 1 2 263.341 0.660 20 30 CCEDLO N#CCC1(C[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)CC1 ZINC000879723911 647102994 /nfs/dbraw/zinc/10/29/94/647102994.db2.gz CHECSEWAELPUSQ-RYUDHWBXSA-N 1 2 263.341 0.660 20 30 CCEDLO Cc1nc(C#N)cc(NC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000881908127 647350806 /nfs/dbraw/zinc/35/08/06/647350806.db2.gz MYEOUWHANLLHPD-NSHDSACASA-N 1 2 274.372 0.705 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886160139 647911213 /nfs/dbraw/zinc/91/12/13/647911213.db2.gz LCUVVXHSNSREBS-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886160139 647911217 /nfs/dbraw/zinc/91/12/17/647911217.db2.gz LCUVVXHSNSREBS-VXGBXAGGSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232187 647926727 /nfs/dbraw/zinc/92/67/27/647926727.db2.gz RRBPEXSVJSDWSI-MNOVXSKESA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC(=O)N1 ZINC000886232187 647926731 /nfs/dbraw/zinc/92/67/31/647926731.db2.gz RRBPEXSVJSDWSI-MNOVXSKESA-N 1 2 251.330 0.252 20 30 CCEDLO C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+]1CCSCC1 ZINC000887681313 648140105 /nfs/dbraw/zinc/14/01/05/648140105.db2.gz XZXFFKGZWIMLLC-YPMHNXCESA-N 1 2 283.397 0.565 20 30 CCEDLO C=CC[N@@H+](CCC#N)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930542190 648873455 /nfs/dbraw/zinc/87/34/55/648873455.db2.gz TUJUOANETUCCKC-OLZOCXBDSA-N 1 2 254.330 0.290 20 30 CCEDLO C=CC[N@H+](CCC#N)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930542190 648873457 /nfs/dbraw/zinc/87/34/57/648873457.db2.gz TUJUOANETUCCKC-OLZOCXBDSA-N 1 2 254.330 0.290 20 30 CCEDLO Cn1cc([C@H]2CSCCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC000933984054 649152244 /nfs/dbraw/zinc/15/22/44/649152244.db2.gz ZFBROIRGWWWBGV-GFCCVEGCSA-N 1 2 293.396 0.540 20 30 CCEDLO Cn1cc([C@H]2CSCCC[N@H+]2CC(=O)NCC#N)cn1 ZINC000933984054 649152249 /nfs/dbraw/zinc/15/22/49/649152249.db2.gz ZFBROIRGWWWBGV-GFCCVEGCSA-N 1 2 293.396 0.540 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000934511616 649177802 /nfs/dbraw/zinc/17/78/02/649177802.db2.gz QMXTVJPZAOTMCZ-CYBMUJFWSA-N 1 2 277.368 0.213 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000934511616 649177804 /nfs/dbraw/zinc/17/78/04/649177804.db2.gz QMXTVJPZAOTMCZ-CYBMUJFWSA-N 1 2 277.368 0.213 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934584256 649181969 /nfs/dbraw/zinc/18/19/69/649181969.db2.gz ZKOUOZFERHJPMJ-SNPRPXQTSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934584256 649181972 /nfs/dbraw/zinc/18/19/72/649181972.db2.gz ZKOUOZFERHJPMJ-SNPRPXQTSA-N 1 2 294.326 0.703 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000188333668 649348503 /nfs/dbraw/zinc/34/85/03/649348503.db2.gz QOQRWAGHBBBXIN-UHFFFAOYSA-N 1 2 286.379 0.608 20 30 CCEDLO C=C(Br)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189342542 649375085 /nfs/dbraw/zinc/37/50/85/649375085.db2.gz SWINEEFUSFWYEH-SNVBAGLBSA-N 1 2 263.179 0.893 20 30 CCEDLO C=CC[NH+]1CCN(c2ncnc3c2[C@@H](C)C(=O)N3)CC1 ZINC001165031480 721867647 /nfs/dbraw/zinc/86/76/47/721867647.db2.gz LGBMYGCOULLVID-SNVBAGLBSA-N 1 2 273.340 0.840 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230555990 805621369 /nfs/dbraw/zinc/62/13/69/805621369.db2.gz ARHLSXAIDYXLDP-YPMHNXCESA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230555990 805621373 /nfs/dbraw/zinc/62/13/73/805621373.db2.gz ARHLSXAIDYXLDP-YPMHNXCESA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571109 805625177 /nfs/dbraw/zinc/62/51/77/805625177.db2.gz BMKXWAUFXNHWDY-OCCSQVGLSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571109 805625180 /nfs/dbraw/zinc/62/51/80/805625180.db2.gz BMKXWAUFXNHWDY-OCCSQVGLSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC=CCC1 ZINC001266254926 790336317 /nfs/dbraw/zinc/33/63/17/790336317.db2.gz AAXLWCHQRGJTOC-ZDUSSCGKSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC=CCC1 ZINC001266254926 790336327 /nfs/dbraw/zinc/33/63/27/790336327.db2.gz AAXLWCHQRGJTOC-ZDUSSCGKSA-N 1 2 279.384 0.693 20 30 CCEDLO C=CCCC(=O)NCC[NH+]1CCN(Cc2ccon2)CC1 ZINC001266281699 790391490 /nfs/dbraw/zinc/39/14/90/790391490.db2.gz XTTGWKDBXVPCCC-UHFFFAOYSA-N 1 2 292.383 0.875 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC4(CC4)C3)[C@H]2C1 ZINC001083188685 790416178 /nfs/dbraw/zinc/41/61/78/790416178.db2.gz HOHJLAVFTWZJHS-UONOGXRCSA-N 1 2 274.364 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC4(CC4)C3)[C@H]2C1 ZINC001083188685 790416188 /nfs/dbraw/zinc/41/61/88/790416188.db2.gz HOHJLAVFTWZJHS-UONOGXRCSA-N 1 2 274.364 0.721 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001266325334 790511202 /nfs/dbraw/zinc/51/12/02/790511202.db2.gz MCSFZSCDIUVDAQ-ZDUSSCGKSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001266325334 790511211 /nfs/dbraw/zinc/51/12/11/790511211.db2.gz MCSFZSCDIUVDAQ-ZDUSSCGKSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCN(CC[N@@H+]1CCN2C(=O)OC[C@H]2C1)C(=O)OCC ZINC001209021630 790530120 /nfs/dbraw/zinc/53/01/20/790530120.db2.gz AOOJWLGGEBPZIL-GFCCVEGCSA-N 1 2 297.355 0.767 20 30 CCEDLO C=CCN(CC[N@H+]1CCN2C(=O)OC[C@H]2C1)C(=O)OCC ZINC001209021630 790530127 /nfs/dbraw/zinc/53/01/27/790530127.db2.gz AOOJWLGGEBPZIL-GFCCVEGCSA-N 1 2 297.355 0.767 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001039105751 790625844 /nfs/dbraw/zinc/62/58/44/790625844.db2.gz SOOFQUFBMTZKCF-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001039105751 790625848 /nfs/dbraw/zinc/62/58/48/790625848.db2.gz SOOFQUFBMTZKCF-LLVKDONJSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)OC ZINC001266481429 790775185 /nfs/dbraw/zinc/77/51/85/790775185.db2.gz ROFISJSTXALGJS-UPJWGTAASA-N 1 2 250.342 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)OC ZINC001266481429 790775190 /nfs/dbraw/zinc/77/51/90/790775190.db2.gz ROFISJSTXALGJS-UPJWGTAASA-N 1 2 250.342 0.720 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230695010 805649171 /nfs/dbraw/zinc/64/91/71/805649171.db2.gz JBWPCZDWLHTSKV-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230695010 805649174 /nfs/dbraw/zinc/64/91/74/805649174.db2.gz JBWPCZDWLHTSKV-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO CCO[C@H](CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231025102 805711955 /nfs/dbraw/zinc/71/19/55/805711955.db2.gz HWFCKVKBSIGXNB-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO CCO[C@H](CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231025102 805711957 /nfs/dbraw/zinc/71/19/57/805711957.db2.gz HWFCKVKBSIGXNB-HUUCEWRRSA-N 1 2 296.411 0.984 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231026211 805712116 /nfs/dbraw/zinc/71/21/16/805712116.db2.gz MWBVAWOSSUZHKR-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231026211 805712119 /nfs/dbraw/zinc/71/21/19/805712119.db2.gz MWBVAWOSSUZHKR-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231292504 805769858 /nfs/dbraw/zinc/76/98/58/805769858.db2.gz CZRPCXHZVZPFPC-YPMHNXCESA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231292504 805769863 /nfs/dbraw/zinc/76/98/63/805769863.db2.gz CZRPCXHZVZPFPC-YPMHNXCESA-N 1 2 287.367 0.977 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cncnc2C)C1 ZINC001277565173 805854216 /nfs/dbraw/zinc/85/42/16/805854216.db2.gz YXPZTMZTOMTGIA-UHFFFAOYSA-N 1 2 290.367 0.744 20 30 CCEDLO Cc1nc(C#N)cc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000308322807 791232429 /nfs/dbraw/zinc/23/24/29/791232429.db2.gz CPCJZHVCWRDMAN-JTQLQIEISA-N 1 2 261.329 0.789 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233488186 806065626 /nfs/dbraw/zinc/06/56/26/806065626.db2.gz DIQHPDDYOAOAOW-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233488186 806065636 /nfs/dbraw/zinc/06/56/36/806065636.db2.gz DIQHPDDYOAOAOW-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)C1CC1 ZINC001267182671 791630743 /nfs/dbraw/zinc/63/07/43/791630743.db2.gz NNRLTLVRSLRIRX-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)C1CC1 ZINC001267182671 791630748 /nfs/dbraw/zinc/63/07/48/791630748.db2.gz NNRLTLVRSLRIRX-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO CC(C)[C@]1(C)C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267225269 791702515 /nfs/dbraw/zinc/70/25/15/791702515.db2.gz SIXGIGGYSMDTFW-WFASDCNBSA-N 1 2 294.399 0.356 20 30 CCEDLO CC(C)[C@]1(C)C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267225269 791702526 /nfs/dbraw/zinc/70/25/26/791702526.db2.gz SIXGIGGYSMDTFW-WFASDCNBSA-N 1 2 294.399 0.356 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233760673 806116348 /nfs/dbraw/zinc/11/63/48/806116348.db2.gz CHMDPUWWVXOQGZ-QWHCGFSZSA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233760673 806116350 /nfs/dbraw/zinc/11/63/50/806116350.db2.gz CHMDPUWWVXOQGZ-QWHCGFSZSA-N 1 2 279.384 0.587 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001233948523 806156383 /nfs/dbraw/zinc/15/63/83/806156383.db2.gz XBPVETZSRCLTOX-CYBMUJFWSA-N 1 2 279.384 0.411 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001233948523 806156384 /nfs/dbraw/zinc/15/63/84/806156384.db2.gz XBPVETZSRCLTOX-CYBMUJFWSA-N 1 2 279.384 0.411 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CCNCC#N ZINC001104468306 793255059 /nfs/dbraw/zinc/25/50/59/793255059.db2.gz UXWDLJVAUYGYCJ-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO N#CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(=O)[nH]n1 ZINC001277936565 806404839 /nfs/dbraw/zinc/40/48/39/806404839.db2.gz LHJHHYQYDUGHJZ-RYUDHWBXSA-N 1 2 287.323 0.385 20 30 CCEDLO N#CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(=O)[nH]n1 ZINC001277936565 806404842 /nfs/dbraw/zinc/40/48/42/806404842.db2.gz LHJHHYQYDUGHJZ-RYUDHWBXSA-N 1 2 287.323 0.385 20 30 CCEDLO CN1CCN(C2C[NH+](Cc3ccccc3CC#N)C2)CC1=O ZINC001235527173 806444664 /nfs/dbraw/zinc/44/46/64/806444664.db2.gz IWXIKLXLTFMDDV-UHFFFAOYSA-N 1 2 298.390 0.711 20 30 CCEDLO N#CCc1ccccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC001235527014 806445122 /nfs/dbraw/zinc/44/51/22/806445122.db2.gz FTPJSLUZTNYTBF-ZDUSSCGKSA-N 1 2 259.309 0.439 20 30 CCEDLO N#CCc1ccccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001235527014 806445127 /nfs/dbraw/zinc/44/51/27/806445127.db2.gz FTPJSLUZTNYTBF-ZDUSSCGKSA-N 1 2 259.309 0.439 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@@H]2CCN2CC#N)c[nH+]1 ZINC001235799037 806505329 /nfs/dbraw/zinc/50/53/29/806505329.db2.gz USDOFQZLHVYCIN-ZDUSSCGKSA-N 1 2 289.383 0.983 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001120513984 798841626 /nfs/dbraw/zinc/84/16/26/798841626.db2.gz RLHOGQOEFOFHIJ-GFCCVEGCSA-N 1 2 286.335 0.240 20 30 CCEDLO C[C@]1(O)COCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607935 806699572 /nfs/dbraw/zinc/69/95/72/806699572.db2.gz CMGUYDBEDUTOOJ-OAHLLOKOSA-N 1 2 286.335 0.789 20 30 CCEDLO C[C@]1(O)COCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607935 806699573 /nfs/dbraw/zinc/69/95/73/806699573.db2.gz CMGUYDBEDUTOOJ-OAHLLOKOSA-N 1 2 286.335 0.789 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001120705098 798917927 /nfs/dbraw/zinc/91/79/27/798917927.db2.gz AVQOVZRTJLPOAF-QJPTWQEYSA-N 1 2 292.339 0.018 20 30 CCEDLO N#Cc1ccc2nc(C[N@@H+]3CCN4CCOC[C@@H]4C3)cn2c1 ZINC001237609085 806701009 /nfs/dbraw/zinc/70/10/09/806701009.db2.gz MLGIKQPQVPEWKP-HNNXBMFYSA-N 1 2 297.362 0.722 20 30 CCEDLO N#Cc1ccc2nc(C[N@H+]3CCN4CCOC[C@@H]4C3)cn2c1 ZINC001237609085 806701012 /nfs/dbraw/zinc/70/10/12/806701012.db2.gz MLGIKQPQVPEWKP-HNNXBMFYSA-N 1 2 297.362 0.722 20 30 CCEDLO N#Cc1cccc(Cl)c1NS(=O)(=O)CC[NH3+] ZINC001237650168 806706063 /nfs/dbraw/zinc/70/60/63/806706063.db2.gz LPQWURNDFDWOCY-UHFFFAOYSA-N 1 2 259.718 0.912 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NCCS(=O)(=O)NC ZINC001120838434 798945808 /nfs/dbraw/zinc/94/58/08/798945808.db2.gz HQPFFJGDNIJYCI-UHFFFAOYSA-N 1 2 297.380 0.835 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001278127760 806707371 /nfs/dbraw/zinc/70/73/71/806707371.db2.gz DXOYOABVSVIKAG-JTQLQIEISA-N 1 2 283.397 0.922 20 30 CCEDLO COc1cc(C#N)c(F)cc1NS(=O)(=O)CC[NH3+] ZINC001237741065 806715193 /nfs/dbraw/zinc/71/51/93/806715193.db2.gz BEIWVMUBQLYAOG-UHFFFAOYSA-N 1 2 273.289 0.406 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123694267 799455813 /nfs/dbraw/zinc/45/58/13/799455813.db2.gz JBVRTRCCDSJXAG-KFWWJZLASA-N 1 2 292.427 0.818 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123694267 799455816 /nfs/dbraw/zinc/45/58/16/799455816.db2.gz JBVRTRCCDSJXAG-KFWWJZLASA-N 1 2 292.427 0.818 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001123795633 799476630 /nfs/dbraw/zinc/47/66/30/799476630.db2.gz SDWYHNJPLPGOMD-KGLIPLIRSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001123795633 799476633 /nfs/dbraw/zinc/47/66/33/799476633.db2.gz SDWYHNJPLPGOMD-KGLIPLIRSA-N 1 2 280.416 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cccnc2NC1=O ZINC001123889690 799495042 /nfs/dbraw/zinc/49/50/42/799495042.db2.gz PPLXNKXBZODPDS-STQMWFEESA-N 1 2 298.346 0.159 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cccnc2NC1=O ZINC001123889690 799495043 /nfs/dbraw/zinc/49/50/43/799495043.db2.gz PPLXNKXBZODPDS-STQMWFEESA-N 1 2 298.346 0.159 20 30 CCEDLO N#CCN[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857889 799749037 /nfs/dbraw/zinc/74/90/37/799749037.db2.gz XYEULUFZBMJYBM-VXGBXAGGSA-N 1 2 287.367 0.883 20 30 CCEDLO C=C(C)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001142509622 800126816 /nfs/dbraw/zinc/12/68/16/800126816.db2.gz FPNXMZJXCWQBPK-UHFFFAOYSA-N 1 2 286.339 0.831 20 30 CCEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413962 800520104 /nfs/dbraw/zinc/52/01/04/800520104.db2.gz SPJWKQWOKOJYMO-GHMZBOCLSA-N 1 2 278.360 0.301 20 30 CCEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413962 800520106 /nfs/dbraw/zinc/52/01/06/800520106.db2.gz SPJWKQWOKOJYMO-GHMZBOCLSA-N 1 2 278.360 0.301 20 30 CCEDLO CC[N@H+](Cc1nccn1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450348 800523905 /nfs/dbraw/zinc/52/39/05/800523905.db2.gz YLVZXNQQUNBKGG-VXGBXAGGSA-N 1 2 277.372 0.906 20 30 CCEDLO CC[N@@H+](Cc1nccn1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450348 800523906 /nfs/dbraw/zinc/52/39/06/800523906.db2.gz YLVZXNQQUNBKGG-VXGBXAGGSA-N 1 2 277.372 0.906 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001153090906 800595081 /nfs/dbraw/zinc/59/50/81/800595081.db2.gz AVOTWGRSHHBGKA-SNVBAGLBSA-N 1 2 282.344 0.738 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001153135605 800600352 /nfs/dbraw/zinc/60/03/52/800600352.db2.gz VOCIHELOIODYPK-SNVBAGLBSA-N 1 2 282.344 0.429 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001153149357 800603244 /nfs/dbraw/zinc/60/32/44/800603244.db2.gz WIIWJPAWYOUUJA-SNVBAGLBSA-N 1 2 282.344 0.429 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc3ccc(C#N)cc32)C[NH2+]1 ZINC001156242469 801137631 /nfs/dbraw/zinc/13/76/31/801137631.db2.gz GYSJAAPSHJVFCW-GWCFXTLKSA-N 1 2 297.318 0.817 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(C)c(C)cc1C#N ZINC001157770594 801476201 /nfs/dbraw/zinc/47/62/01/801476201.db2.gz NGNGWYFJQSBBJU-CYBMUJFWSA-N 1 2 288.351 0.864 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(C)c(C)cc1C#N ZINC001157770594 801476206 /nfs/dbraw/zinc/47/62/06/801476206.db2.gz NGNGWYFJQSBBJU-CYBMUJFWSA-N 1 2 288.351 0.864 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001157869943 801508396 /nfs/dbraw/zinc/50/83/96/801508396.db2.gz VAJDTDBKCHSDJW-QWRGUYRKSA-N 1 2 294.355 0.573 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2[nH]ccc3ncc(C#N)c2-3)C[NH2+]1 ZINC001158254766 801605377 /nfs/dbraw/zinc/60/53/77/801605377.db2.gz KNEXGOVSUQWQFR-KOLCDFICSA-N 1 2 285.307 0.750 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)C[NH2+]1 ZINC001158255826 801607228 /nfs/dbraw/zinc/60/72/28/801607228.db2.gz AFKUELWMHDMYQN-YPMHNXCESA-N 1 2 286.335 0.757 20 30 CCEDLO Cc1ncc(C#N)c(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160722795 802010868 /nfs/dbraw/zinc/01/08/68/802010868.db2.gz IRJAMLXPKYNILD-ZIAGYGMSSA-N 1 2 287.367 0.744 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(OC)c(C#N)cn1 ZINC001161946135 802253970 /nfs/dbraw/zinc/25/39/70/802253970.db2.gz RIOUGNSOBGPURC-SECBINFHSA-N 1 2 264.285 0.264 20 30 CCEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001255169325 808325175 /nfs/dbraw/zinc/32/51/75/808325175.db2.gz DIYAZDFTBVUTQJ-AGIUHOORSA-N 1 2 292.383 0.442 20 30 CCEDLO CC[C@H](CC#N)[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001255169325 808325185 /nfs/dbraw/zinc/32/51/85/808325185.db2.gz DIYAZDFTBVUTQJ-AGIUHOORSA-N 1 2 292.383 0.442 20 30 CCEDLO CCn1cc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001259842206 808786048 /nfs/dbraw/zinc/78/60/48/808786048.db2.gz DUGGAMBELKQLRZ-UHFFFAOYSA-N 1 2 297.384 0.169 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001265282047 809744870 /nfs/dbraw/zinc/74/48/70/809744870.db2.gz QKISRNIFUHXACW-ZDUSSCGKSA-N 1 2 293.411 0.751 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001265282047 809744874 /nfs/dbraw/zinc/74/48/74/809744874.db2.gz QKISRNIFUHXACW-ZDUSSCGKSA-N 1 2 293.411 0.751 20 30 CCEDLO N#Cc1c[nH]c2nc(N3CC[NH2+]CC(F)(F)C3)ncc12 ZINC001164497356 802749107 /nfs/dbraw/zinc/74/91/07/802749107.db2.gz GJBHEORPXAZVIJ-UHFFFAOYSA-N 1 2 278.266 0.874 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083295952 811800680 /nfs/dbraw/zinc/80/06/80/811800680.db2.gz VSRRMPRRCKKNSL-NEPJUHHUSA-N 1 2 265.338 0.301 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083295952 811800688 /nfs/dbraw/zinc/80/06/88/811800688.db2.gz VSRRMPRRCKKNSL-NEPJUHHUSA-N 1 2 265.338 0.301 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166401107 802905072 /nfs/dbraw/zinc/90/50/72/802905072.db2.gz CAHLJEKKBSOLSU-JTQLQIEISA-N 1 2 261.329 0.449 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](O)C(C)C)C1 ZINC001268825826 813105258 /nfs/dbraw/zinc/10/52/58/813105258.db2.gz SSDWHGLWYQXGJV-LLVKDONJSA-N 1 2 260.765 0.804 20 30 CCEDLO Cc1[nH+]c[nH]c1CN1CCN(c2nccnc2C#N)CC1 ZINC001204588705 803093723 /nfs/dbraw/zinc/09/37/23/803093723.db2.gz DSEUJDSVQXNOTH-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO CCOC(=O)CN(CCC#N)Cc1[nH]c[nH+]c1C ZINC001204595034 803094068 /nfs/dbraw/zinc/09/40/68/803094068.db2.gz VGVXKXPGZAPNBQ-UHFFFAOYSA-N 1 2 250.302 0.997 20 30 CCEDLO CC(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001205943691 803187462 /nfs/dbraw/zinc/18/74/62/803187462.db2.gz CDWDOOQBBUNVIO-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001205943691 803187467 /nfs/dbraw/zinc/18/74/67/803187467.db2.gz CDWDOOQBBUNVIO-CHWSQXEVSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461051 803515402 /nfs/dbraw/zinc/51/54/02/803515402.db2.gz BBVMVLKJLCPTFX-PSASIEDQSA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461051 803515405 /nfs/dbraw/zinc/51/54/05/803515405.db2.gz BBVMVLKJLCPTFX-PSASIEDQSA-N 1 2 285.775 0.441 20 30 CCEDLO C=CCN(CC[N@H+](C)CC(=O)NC)C(=O)OCC ZINC001209017236 803564635 /nfs/dbraw/zinc/56/46/35/803564635.db2.gz MKOHIDOSIFHBCX-UHFFFAOYSA-N 1 2 257.334 0.309 20 30 CCEDLO C=CCN(CC[N@@H+](C)CC(=O)NC)C(=O)OCC ZINC001209017236 803564640 /nfs/dbraw/zinc/56/46/40/803564640.db2.gz MKOHIDOSIFHBCX-UHFFFAOYSA-N 1 2 257.334 0.309 20 30 CCEDLO C#CC[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC001209711497 803623808 /nfs/dbraw/zinc/62/38/08/803623808.db2.gz NCZFKALLGJGSNP-UHFFFAOYSA-N 1 2 297.200 0.933 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COc2ccsc2)[C@H](OC)C1 ZINC001213723821 803701533 /nfs/dbraw/zinc/70/15/33/803701533.db2.gz XGFOWYDRBJMCTC-CHWSQXEVSA-N 1 2 294.376 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COc2ccsc2)[C@H](OC)C1 ZINC001213723821 803701535 /nfs/dbraw/zinc/70/15/35/803701535.db2.gz XGFOWYDRBJMCTC-CHWSQXEVSA-N 1 2 294.376 0.576 20 30 CCEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001217295653 803883268 /nfs/dbraw/zinc/88/32/68/803883268.db2.gz KOKMVBLJINMUAQ-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001217295653 803883273 /nfs/dbraw/zinc/88/32/73/803883273.db2.gz KOKMVBLJINMUAQ-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO N#Cc1cccc2[nH]nc(NC(=O)[C@@H]3COCC[NH2+]3)c21 ZINC001218656007 804067357 /nfs/dbraw/zinc/06/73/57/804067357.db2.gz AIKVPNAOCWSLIT-JTQLQIEISA-N 1 2 271.280 0.361 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219344327 804278621 /nfs/dbraw/zinc/27/86/21/804278621.db2.gz GHXAKCYIIBFDNL-OLZOCXBDSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219344327 804278624 /nfs/dbraw/zinc/27/86/24/804278624.db2.gz GHXAKCYIIBFDNL-OLZOCXBDSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@@H](O)C1 ZINC001083458080 815018459 /nfs/dbraw/zinc/01/84/59/815018459.db2.gz ULYKCPJPVPGOEU-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@@H](O)C1 ZINC001083458080 815018465 /nfs/dbraw/zinc/01/84/65/815018465.db2.gz ULYKCPJPVPGOEU-NEPJUHHUSA-N 1 2 291.351 0.515 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001220146926 804514596 /nfs/dbraw/zinc/51/45/96/804514596.db2.gz UGRNTAMTNLLKLW-NEPJUHHUSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001220146926 804514598 /nfs/dbraw/zinc/51/45/98/804514598.db2.gz UGRNTAMTNLLKLW-NEPJUHHUSA-N 1 2 293.367 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 ZINC001220324515 804565733 /nfs/dbraw/zinc/56/57/33/804565733.db2.gz GWRNOIJDNFRWRY-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 ZINC001220324515 804565729 /nfs/dbraw/zinc/56/57/29/804565729.db2.gz GWRNOIJDNFRWRY-NEPJUHHUSA-N 1 2 250.342 0.217 20 30 CCEDLO C#Cc1ccc(CNC(=O)C[C@H]([NH3+])C(=O)OC)cc1 ZINC001220380988 804590015 /nfs/dbraw/zinc/59/00/15/804590015.db2.gz FMOMVPRYNZPNSA-LBPRGKRZSA-N 1 2 260.293 0.175 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221220406 804751003 /nfs/dbraw/zinc/75/10/03/804751003.db2.gz SJQZPKWTEWAGBV-ZIAGYGMSSA-N 1 2 289.379 0.069 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221220406 804751008 /nfs/dbraw/zinc/75/10/08/804751008.db2.gz SJQZPKWTEWAGBV-ZIAGYGMSSA-N 1 2 289.379 0.069 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221839576 804848984 /nfs/dbraw/zinc/84/89/84/804848984.db2.gz ZDEXINLDGJTMDR-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221839576 804848991 /nfs/dbraw/zinc/84/89/91/804848991.db2.gz ZDEXINLDGJTMDR-CHWSQXEVSA-N 1 2 293.411 0.867 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001222636024 804921575 /nfs/dbraw/zinc/92/15/75/804921575.db2.gz GJOZAASHJMVADC-NSHDSACASA-N 1 2 290.371 0.303 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001276842834 804936306 /nfs/dbraw/zinc/93/63/06/804936306.db2.gz ROONNCSVTKXKGU-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001276842834 804936308 /nfs/dbraw/zinc/93/63/08/804936308.db2.gz ROONNCSVTKXKGU-QWHCGFSZSA-N 1 2 277.368 0.259 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941008 805004624 /nfs/dbraw/zinc/00/46/24/805004624.db2.gz NNFFXBULYAQSIW-MFKMUULPSA-N 1 2 274.368 0.954 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941008 805004636 /nfs/dbraw/zinc/00/46/36/805004636.db2.gz NNFFXBULYAQSIW-MFKMUULPSA-N 1 2 274.368 0.954 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001226640801 805259820 /nfs/dbraw/zinc/25/98/20/805259820.db2.gz PWPMVRZQURVXQA-VIFPVBQESA-N 1 2 279.369 0.778 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001226640292 805260014 /nfs/dbraw/zinc/26/00/14/805260014.db2.gz LPTYELJXWRUAIK-MNOVXSKESA-N 1 2 290.371 0.616 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C(N)=O)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227834861 805396490 /nfs/dbraw/zinc/39/64/90/805396490.db2.gz RVWALIYNBCSRBJ-PINQPDRWSA-N 1 2 275.308 0.172 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C(N)=O)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227834861 805396498 /nfs/dbraw/zinc/39/64/98/805396498.db2.gz RVWALIYNBCSRBJ-PINQPDRWSA-N 1 2 275.308 0.172 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001228508213 805452138 /nfs/dbraw/zinc/45/21/38/805452138.db2.gz WVZULEGGHSPBDU-NEPJUHHUSA-N 1 2 262.313 0.752 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC000989750743 815091458 /nfs/dbraw/zinc/09/14/58/815091458.db2.gz VUDGXYOUUDBWMQ-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC000989750743 815091464 /nfs/dbraw/zinc/09/14/64/815091464.db2.gz VUDGXYOUUDBWMQ-UHFFFAOYSA-N 1 2 291.376 0.628 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](NC2(C#N)CCCCC2)C[NH2+]1 ZINC001246232047 807192444 /nfs/dbraw/zinc/19/24/44/807192444.db2.gz YZBCWNDHRKOOIB-QWRGUYRKSA-N 1 2 251.330 0.706 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001251821092 807708890 /nfs/dbraw/zinc/70/88/90/807708890.db2.gz GPOCTJKJHPSZTQ-ZDUSSCGKSA-N 1 2 292.335 0.048 20 30 CCEDLO C#CCOC[C@@H](O)C[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001251851961 807720022 /nfs/dbraw/zinc/72/00/22/807720022.db2.gz XAXFFZYCGXHGOM-LBPRGKRZSA-N 1 2 298.383 0.596 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001251858242 807725201 /nfs/dbraw/zinc/72/52/01/807725201.db2.gz UESYDNXQSILVOL-OAHLLOKOSA-N 1 2 289.331 0.800 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001251858242 807725207 /nfs/dbraw/zinc/72/52/07/807725207.db2.gz UESYDNXQSILVOL-OAHLLOKOSA-N 1 2 289.331 0.800 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001251885075 807733901 /nfs/dbraw/zinc/73/39/01/807733901.db2.gz NGBZOBKBYBMLDH-MJBXVCDLSA-N 1 2 283.368 0.731 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001252472177 807883057 /nfs/dbraw/zinc/88/30/57/807883057.db2.gz PHSLYFXUKBPRQY-OLZOCXBDSA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001252472177 807883060 /nfs/dbraw/zinc/88/30/60/807883060.db2.gz PHSLYFXUKBPRQY-OLZOCXBDSA-N 1 2 287.356 0.204 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252473865 807885439 /nfs/dbraw/zinc/88/54/39/807885439.db2.gz RLDHGRJANQEXJP-LBPRGKRZSA-N 1 2 257.330 0.577 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252473865 807885447 /nfs/dbraw/zinc/88/54/47/807885447.db2.gz RLDHGRJANQEXJP-LBPRGKRZSA-N 1 2 257.330 0.577 20 30 CCEDLO C=C[C@@](C)(O)C[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001252548994 807906143 /nfs/dbraw/zinc/90/61/43/807906143.db2.gz YONOULTYHZBYFK-SNVBAGLBSA-N 1 2 266.263 0.630 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](O)C1 ZINC001083491505 815159407 /nfs/dbraw/zinc/15/94/07/815159407.db2.gz IINNNPUVSXSWOY-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](O)C1 ZINC001083491505 815159410 /nfs/dbraw/zinc/15/94/10/815159410.db2.gz IINNNPUVSXSWOY-CABCVRRESA-N 1 2 287.363 0.497 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N[C@H](C#N)CC)CC1 ZINC001254397507 808233644 /nfs/dbraw/zinc/23/36/44/808233644.db2.gz PCFICGFJEAICPE-NSHDSACASA-N 1 2 253.346 0.906 20 30 CCEDLO Cc1cc(C)c(C(=O)NCC2(O)CN(CC#N)C2)c(C)[nH+]1 ZINC001278891793 808432255 /nfs/dbraw/zinc/43/22/55/808432255.db2.gz QGBASIWWWHIVGO-UHFFFAOYSA-N 1 2 288.351 0.307 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255980922 808444367 /nfs/dbraw/zinc/44/43/67/808444367.db2.gz CBSFQJBSSIGCHF-SNVBAGLBSA-N 1 2 290.289 0.337 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](O)C1 ZINC001083528319 815215969 /nfs/dbraw/zinc/21/59/69/815215969.db2.gz LDVWLPVOMPLKTQ-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](O)C1 ZINC001083528319 815215972 /nfs/dbraw/zinc/21/59/72/815215972.db2.gz LDVWLPVOMPLKTQ-CABCVRRESA-N 1 2 287.363 0.442 20 30 CCEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257224533 808599940 /nfs/dbraw/zinc/59/99/40/808599940.db2.gz MCCPSZKQRXLIIJ-GFCCVEGCSA-N 1 2 273.402 0.938 20 30 CCEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1cnon1 ZINC001126915683 815231298 /nfs/dbraw/zinc/23/12/98/815231298.db2.gz GXDQTUNPKQBKCH-UHFFFAOYSA-N 1 2 250.302 0.325 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)n1 ZINC001261436009 808976771 /nfs/dbraw/zinc/97/67/71/808976771.db2.gz MUFWRRFFWMVPMU-MWLCHTKSSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC001261436009 808976774 /nfs/dbraw/zinc/97/67/74/808976774.db2.gz MUFWRRFFWMVPMU-MWLCHTKSSA-N 1 2 267.333 0.235 20 30 CCEDLO Cc1noc([C@@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC001261436009 808976778 /nfs/dbraw/zinc/97/67/78/808976778.db2.gz MUFWRRFFWMVPMU-MWLCHTKSSA-N 1 2 267.333 0.235 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN([C@]2(C(=O)OC)CCOC2)CC1 ZINC001261801063 809092207 /nfs/dbraw/zinc/09/22/07/809092207.db2.gz CSVSPEQAHNHCPM-GOEBONIOSA-N 1 2 294.395 0.738 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076260564 815269176 /nfs/dbraw/zinc/26/91/76/815269176.db2.gz SCPDGEGBJKKVGA-KYEXWDHISA-N 1 2 299.378 0.580 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001262905775 809422062 /nfs/dbraw/zinc/42/20/62/809422062.db2.gz ZIODELNWYLGBKQ-UWVGGRQHSA-N 1 2 251.334 0.175 20 30 CCEDLO C=CCN(C)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001262905775 809422065 /nfs/dbraw/zinc/42/20/65/809422065.db2.gz ZIODELNWYLGBKQ-UWVGGRQHSA-N 1 2 251.334 0.175 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001038502763 815290871 /nfs/dbraw/zinc/29/08/71/815290871.db2.gz OINZKGVWGDMKNP-VIFPVBQESA-N 1 2 298.268 0.933 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001038502763 815290877 /nfs/dbraw/zinc/29/08/77/815290877.db2.gz OINZKGVWGDMKNP-VIFPVBQESA-N 1 2 298.268 0.933 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)CCc1c[nH+]cn1C ZINC001263818963 809578032 /nfs/dbraw/zinc/57/80/32/809578032.db2.gz KJTNYAAASFXVPA-ZDUSSCGKSA-N 1 2 275.356 0.409 20 30 CCEDLO CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001264187420 809637094 /nfs/dbraw/zinc/63/70/94/809637094.db2.gz SJDIHTOCCIIBGJ-ZDUSSCGKSA-N 1 2 289.383 0.683 20 30 CCEDLO CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001264187420 809637098 /nfs/dbraw/zinc/63/70/98/809637098.db2.gz SJDIHTOCCIIBGJ-ZDUSSCGKSA-N 1 2 289.383 0.683 20 30 CCEDLO N#C[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000385997067 809637566 /nfs/dbraw/zinc/63/75/66/809637566.db2.gz SOXRSESDFANUMJ-QWHCGFSZSA-N 1 2 253.346 0.058 20 30 CCEDLO C[C@@H](CC(=O)NC[C@H]1C[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001264433510 809657771 /nfs/dbraw/zinc/65/77/71/809657771.db2.gz FYJKXRYQPNRNSI-AVGNSLFASA-N 1 2 275.356 0.842 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)CC(C)C)CC1 ZINC001265256480 809733463 /nfs/dbraw/zinc/73/34/63/809733463.db2.gz YYNPUZSZOYVKBN-UHFFFAOYSA-N 1 2 265.401 0.790 20 30 CCEDLO C=CCCC(=O)NCC[NH+]1CCN(CC#CC)CC1 ZINC001265257373 809733829 /nfs/dbraw/zinc/73/38/29/809733829.db2.gz CFUGIQOKUCBNIG-UHFFFAOYSA-N 1 2 263.385 0.710 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076649809 815328262 /nfs/dbraw/zinc/32/82/62/815328262.db2.gz BMIXRUKKBVROLG-HUUCEWRRSA-N 1 2 258.321 0.219 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076649809 815328268 /nfs/dbraw/zinc/32/82/68/815328268.db2.gz BMIXRUKKBVROLG-HUUCEWRRSA-N 1 2 258.321 0.219 20 30 CCEDLO CCN(CC#N)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266057578 809928963 /nfs/dbraw/zinc/92/89/63/809928963.db2.gz KCEJVQJLDOQHKP-CYBMUJFWSA-N 1 2 289.383 0.797 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001105684758 815418754 /nfs/dbraw/zinc/41/87/54/815418754.db2.gz DYNWQWVDZPYDMX-UHFFFAOYSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN(CC(=O)OCC)C(=O)C[C@H]([NH3+])C(F)F ZINC000724759842 811100466 /nfs/dbraw/zinc/10/04/66/811100466.db2.gz QJFICHJKRDCTLR-QMMMGPOBSA-N 1 2 264.272 0.547 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](Cc1cnnn1C)C1CC1 ZINC001267326485 811158747 /nfs/dbraw/zinc/15/87/47/811158747.db2.gz PGWOPUWCHKIAKI-UHFFFAOYSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](Cc1cnnn1C)C1CC1 ZINC001267326485 811158752 /nfs/dbraw/zinc/15/87/52/811158752.db2.gz PGWOPUWCHKIAKI-UHFFFAOYSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038283763 811171522 /nfs/dbraw/zinc/17/15/22/811171522.db2.gz CWVZTVKSARYNSU-SNVBAGLBSA-N 1 2 280.759 0.994 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038283763 811171525 /nfs/dbraw/zinc/17/15/25/811171525.db2.gz CWVZTVKSARYNSU-SNVBAGLBSA-N 1 2 280.759 0.994 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](O)C1 ZINC001083560365 815436199 /nfs/dbraw/zinc/43/61/99/815436199.db2.gz BTWISWMIHOHUSX-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](O)C1 ZINC001083560365 815436203 /nfs/dbraw/zinc/43/62/03/815436203.db2.gz BTWISWMIHOHUSX-NEPJUHHUSA-N 1 2 293.392 0.558 20 30 CCEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058562243 811321137 /nfs/dbraw/zinc/32/11/37/811321137.db2.gz GKRDKXQZEAGMTA-SNVBAGLBSA-N 1 2 297.322 0.009 20 30 CCEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001098167447 811448387 /nfs/dbraw/zinc/44/83/87/811448387.db2.gz AKQFSCLDWCMIOF-LLVKDONJSA-N 1 2 299.338 0.552 20 30 CCEDLO CN(CC#N)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001267603072 811521792 /nfs/dbraw/zinc/52/17/92/811521792.db2.gz PQBZVXDJDAFDQO-UHFFFAOYSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)[C@@H](O)C1 ZINC001083566743 815455037 /nfs/dbraw/zinc/45/50/37/815455037.db2.gz ZHWBPPGQFKYXDU-XQQFMLRXSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)[C@@H](O)C1 ZINC001083566743 815455040 /nfs/dbraw/zinc/45/50/40/815455040.db2.gz ZHWBPPGQFKYXDU-XQQFMLRXSA-N 1 2 262.353 0.361 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104649923 811545539 /nfs/dbraw/zinc/54/55/39/811545539.db2.gz MIZOPKJCIIMWBL-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267617120 811573816 /nfs/dbraw/zinc/57/38/16/811573816.db2.gz DZUVKAJMMVTSNS-ZIAGYGMSSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267617120 811573823 /nfs/dbraw/zinc/57/38/23/811573823.db2.gz DZUVKAJMMVTSNS-ZIAGYGMSSA-N 1 2 293.411 0.609 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001267622800 811580230 /nfs/dbraw/zinc/58/02/30/811580230.db2.gz QAGVFVOMGYZHRY-OLZOCXBDSA-N 1 2 284.425 0.968 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001267622800 811580233 /nfs/dbraw/zinc/58/02/33/811580233.db2.gz QAGVFVOMGYZHRY-OLZOCXBDSA-N 1 2 284.425 0.968 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001267645143 811610912 /nfs/dbraw/zinc/61/09/12/811610912.db2.gz MUXCYJQJMFUZAV-JSGCOSHPSA-N 1 2 280.368 0.394 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267679942 811645279 /nfs/dbraw/zinc/64/52/79/811645279.db2.gz DFBZJCMMMUJERL-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001267727355 811696102 /nfs/dbraw/zinc/69/61/02/811696102.db2.gz DNZSIHWSIOJKQP-GRYCIOLGSA-N 1 2 265.357 0.135 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001267727355 811696109 /nfs/dbraw/zinc/69/61/09/811696109.db2.gz DNZSIHWSIOJKQP-GRYCIOLGSA-N 1 2 265.357 0.135 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn32)C1 ZINC001077265556 815469135 /nfs/dbraw/zinc/46/91/35/815469135.db2.gz WYOPEAPXHSKLRV-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn32)C1 ZINC001077265556 815469137 /nfs/dbraw/zinc/46/91/37/815469137.db2.gz WYOPEAPXHSKLRV-TZMCWYRMSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn3C)C2)nn1 ZINC001105159764 811858543 /nfs/dbraw/zinc/85/85/43/811858543.db2.gz YSHPSZZGHUPIRH-UHFFFAOYSA-N 1 2 298.350 0.037 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC(F)F)C2)nn1 ZINC001105283668 811890711 /nfs/dbraw/zinc/89/07/11/811890711.db2.gz RMSIPFVOQSTUGM-UHFFFAOYSA-N 1 2 297.309 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)CC)C2)nn1 ZINC001105300704 811898256 /nfs/dbraw/zinc/89/82/56/811898256.db2.gz BCRVMXDPQSLCKJ-CYBMUJFWSA-N 1 2 293.346 0.522 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cnc(C)o2)C1 ZINC001268024953 811990434 /nfs/dbraw/zinc/99/04/34/811990434.db2.gz NESUSNAPJDSSHX-AWEZNQCLSA-N 1 2 293.367 0.919 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cnc(C)o2)C1 ZINC001268024953 811990441 /nfs/dbraw/zinc/99/04/41/811990441.db2.gz NESUSNAPJDSSHX-AWEZNQCLSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001077385772 815490278 /nfs/dbraw/zinc/49/02/78/815490278.db2.gz JDLPIPRAJKRLPZ-ZACQAIPSSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001077385772 815490280 /nfs/dbraw/zinc/49/02/80/815490280.db2.gz JDLPIPRAJKRLPZ-ZACQAIPSSA-N 1 2 298.386 0.975 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098632230 812133174 /nfs/dbraw/zinc/13/31/74/812133174.db2.gz AKILIZQEPZELNX-CMPLNLGQSA-N 1 2 294.334 0.270 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC001038834736 812187975 /nfs/dbraw/zinc/18/79/75/812187975.db2.gz GLVDMUSVQDMTGC-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC001038834736 812187978 /nfs/dbraw/zinc/18/79/78/812187978.db2.gz GLVDMUSVQDMTGC-GFCCVEGCSA-N 1 2 260.341 0.649 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000692891107 812231606 /nfs/dbraw/zinc/23/16/06/812231606.db2.gz HLQBMHDSEKMEGI-AWEZNQCLSA-N 1 2 258.321 0.637 20 30 CCEDLO C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000692891107 812231612 /nfs/dbraw/zinc/23/16/12/812231612.db2.gz HLQBMHDSEKMEGI-AWEZNQCLSA-N 1 2 258.321 0.637 20 30 CCEDLO C[C@@H](NCC#N)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001268183360 812349954 /nfs/dbraw/zinc/34/99/54/812349954.db2.gz YYZFDYNSFLAEKU-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO CN(CC#N)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001268256848 812424563 /nfs/dbraw/zinc/42/45/63/812424563.db2.gz XGHMTFOKTNFGSG-UHFFFAOYSA-N 1 2 263.345 0.266 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001038964889 812483179 /nfs/dbraw/zinc/48/31/79/812483179.db2.gz VMEAYNAQUJWXEY-UONOGXRCSA-N 1 2 269.348 0.620 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001038964889 812483182 /nfs/dbraw/zinc/48/31/82/812483182.db2.gz VMEAYNAQUJWXEY-UONOGXRCSA-N 1 2 269.348 0.620 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606656 815533738 /nfs/dbraw/zinc/53/37/38/815533738.db2.gz JHTXVEAIQKYPTF-OLZOCXBDSA-N 1 2 299.330 0.626 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](O)C1 ZINC001083606656 815533739 /nfs/dbraw/zinc/53/37/39/815533739.db2.gz JHTXVEAIQKYPTF-OLZOCXBDSA-N 1 2 299.330 0.626 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038986796 812530865 /nfs/dbraw/zinc/53/08/65/812530865.db2.gz PTWVNLXUHKTWMO-HOTGVXAUSA-N 1 2 284.359 0.952 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038986796 812530868 /nfs/dbraw/zinc/53/08/68/812530868.db2.gz PTWVNLXUHKTWMO-HOTGVXAUSA-N 1 2 284.359 0.952 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001211765561 812711365 /nfs/dbraw/zinc/71/13/65/812711365.db2.gz BJWZJZLMKNXLDS-TZMCWYRMSA-N 1 2 292.335 0.358 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001211765561 812711372 /nfs/dbraw/zinc/71/13/72/812711372.db2.gz BJWZJZLMKNXLDS-TZMCWYRMSA-N 1 2 292.335 0.358 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](O)C1 ZINC001083385240 812926915 /nfs/dbraw/zinc/92/69/15/812926915.db2.gz IAKHURBGMAQWMO-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](O)C1 ZINC001083385240 812926922 /nfs/dbraw/zinc/92/69/22/812926922.db2.gz IAKHURBGMAQWMO-MNOVXSKESA-N 1 2 265.313 0.252 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268911195 813141984 /nfs/dbraw/zinc/14/19/84/813141984.db2.gz JKAFPGKKEJZOOP-UHFFFAOYSA-N 1 2 288.413 0.434 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001269065464 813200086 /nfs/dbraw/zinc/20/00/86/813200086.db2.gz PNFBAOXGXATAHS-RYUDHWBXSA-N 1 2 277.368 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001269065464 813200088 /nfs/dbraw/zinc/20/00/88/813200088.db2.gz PNFBAOXGXATAHS-RYUDHWBXSA-N 1 2 277.368 0.279 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@](C)(O)C1CC1 ZINC001269223183 813275314 /nfs/dbraw/zinc/27/53/14/813275314.db2.gz MCOWWIVTGKLMHK-GOEBONIOSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@@](C)(O)C1CC1 ZINC001269223183 813275321 /nfs/dbraw/zinc/27/53/21/813275321.db2.gz MCOWWIVTGKLMHK-GOEBONIOSA-N 1 2 294.395 0.378 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC(=O)NCC)C1 ZINC001269233510 813280197 /nfs/dbraw/zinc/28/01/97/813280197.db2.gz ITTSTQWMWDJZDE-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(=O)NCC)C1 ZINC001269233510 813280203 /nfs/dbraw/zinc/28/02/03/813280203.db2.gz ITTSTQWMWDJZDE-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001269261472 813295355 /nfs/dbraw/zinc/29/53/55/813295355.db2.gz SHBCGRYNZPONIP-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001269261472 813295362 /nfs/dbraw/zinc/29/53/62/813295362.db2.gz SHBCGRYNZPONIP-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)COC ZINC001269326603 813326877 /nfs/dbraw/zinc/32/68/77/813326877.db2.gz LEYGLNPQWSGZLG-UONOGXRCSA-N 1 2 282.384 0.499 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)COC ZINC001269326603 813326885 /nfs/dbraw/zinc/32/68/85/813326885.db2.gz LEYGLNPQWSGZLG-UONOGXRCSA-N 1 2 282.384 0.499 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776891 813487632 /nfs/dbraw/zinc/48/76/32/813487632.db2.gz WFDDXANNRFPJMM-SNVBAGLBSA-N 1 2 298.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001028776891 813487637 /nfs/dbraw/zinc/48/76/37/813487637.db2.gz WFDDXANNRFPJMM-SNVBAGLBSA-N 1 2 298.774 0.930 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211841835 813590185 /nfs/dbraw/zinc/59/01/85/813590185.db2.gz GYNAQDYOQAXPFF-ZIAGYGMSSA-N 1 2 292.335 0.358 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211841835 813590189 /nfs/dbraw/zinc/59/01/89/813590189.db2.gz GYNAQDYOQAXPFF-ZIAGYGMSSA-N 1 2 292.335 0.358 20 30 CCEDLO N#CCN1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038422921 813782077 /nfs/dbraw/zinc/78/20/77/813782077.db2.gz BHKIEHZWNRCKNZ-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001270628609 813854649 /nfs/dbraw/zinc/85/46/49/813854649.db2.gz HFENJRMYLPNLAJ-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001270628609 813854659 /nfs/dbraw/zinc/85/46/59/813854659.db2.gz HFENJRMYLPNLAJ-GXTWGEPZSA-N 1 2 282.384 0.805 20 30 CCEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1CC#N ZINC001087774337 814211242 /nfs/dbraw/zinc/21/12/42/814211242.db2.gz LKKQQBDKYRIEQK-WDEREUQCSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)C1 ZINC001029465156 814277615 /nfs/dbraw/zinc/27/76/15/814277615.db2.gz PGDIYRWVPVUYRC-UPJWGTAASA-N 1 2 291.395 0.892 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)C1 ZINC001029465156 814277619 /nfs/dbraw/zinc/27/76/19/814277619.db2.gz PGDIYRWVPVUYRC-UPJWGTAASA-N 1 2 291.395 0.892 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)C1 ZINC001029465155 814277814 /nfs/dbraw/zinc/27/78/14/814277814.db2.gz PGDIYRWVPVUYRC-RWMBFGLXSA-N 1 2 291.395 0.892 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)C1 ZINC001029465155 814277823 /nfs/dbraw/zinc/27/78/23/814277823.db2.gz PGDIYRWVPVUYRC-RWMBFGLXSA-N 1 2 291.395 0.892 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CC ZINC001038451504 814290428 /nfs/dbraw/zinc/29/04/28/814290428.db2.gz RWALWGUCBUIXJJ-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CC ZINC001038451504 814290436 /nfs/dbraw/zinc/29/04/36/814290436.db2.gz RWALWGUCBUIXJJ-GFCCVEGCSA-N 1 2 274.368 0.810 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029509698 814343862 /nfs/dbraw/zinc/34/38/62/814343862.db2.gz DCYFEDRKPNPYGJ-FPMFFAJLSA-N 1 2 287.367 0.787 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001029509698 814343873 /nfs/dbraw/zinc/34/38/73/814343873.db2.gz DCYFEDRKPNPYGJ-FPMFFAJLSA-N 1 2 287.367 0.787 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001271393132 814402358 /nfs/dbraw/zinc/40/23/58/814402358.db2.gz KHHFAXYCNHJSSG-LBPRGKRZSA-N 1 2 264.369 0.609 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(C)on2)C1 ZINC001271941239 814637512 /nfs/dbraw/zinc/63/75/12/814637512.db2.gz MSFRNPOQASDMDW-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(C)on2)C1 ZINC001271941239 814637513 /nfs/dbraw/zinc/63/75/13/814637513.db2.gz MSFRNPOQASDMDW-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088481717 814729541 /nfs/dbraw/zinc/72/95/41/814729541.db2.gz UASZNIXHCDMWIY-BDAKNGLRSA-N 1 2 252.343 0.917 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC001088481717 814729545 /nfs/dbraw/zinc/72/95/45/814729545.db2.gz UASZNIXHCDMWIY-BDAKNGLRSA-N 1 2 252.343 0.917 20 30 CCEDLO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059847939 814895444 /nfs/dbraw/zinc/89/54/44/814895444.db2.gz UOYKNAXIAHJVMT-AOOOYVTPSA-N 1 2 297.322 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001077454477 815808554 /nfs/dbraw/zinc/80/85/54/815808554.db2.gz VBZNVQJABLTMDL-CHWSQXEVSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001077454477 815808560 /nfs/dbraw/zinc/80/85/60/815808560.db2.gz VBZNVQJABLTMDL-CHWSQXEVSA-N 1 2 264.369 0.607 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc3ncn(C)c32)C1 ZINC001030468519 816051703 /nfs/dbraw/zinc/05/17/03/816051703.db2.gz YPJORWNJDQYNIK-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001030519186 816083066 /nfs/dbraw/zinc/08/30/66/816083066.db2.gz MFPSTFCIWZXWKK-CQSZACIVSA-N 1 2 265.357 0.279 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001030553103 816103897 /nfs/dbraw/zinc/10/38/97/816103897.db2.gz RTLSLDWEWIUWND-GFCCVEGCSA-N 1 2 274.368 0.822 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001030584090 816126107 /nfs/dbraw/zinc/12/61/07/816126107.db2.gz JCWVDGDRRYXFPD-UHFFFAOYSA-N 1 2 266.320 0.843 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3nccn3c2)C1 ZINC001030680529 816209307 /nfs/dbraw/zinc/20/93/07/816209307.db2.gz INUBVWULWTVUHM-UHFFFAOYSA-N 1 2 269.308 0.167 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212194496 816216067 /nfs/dbraw/zinc/21/60/67/816216067.db2.gz TYCRBNAHLHAUHE-NQBHXWOUSA-N 1 2 274.336 0.098 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212194496 816216071 /nfs/dbraw/zinc/21/60/71/816216071.db2.gz TYCRBNAHLHAUHE-NQBHXWOUSA-N 1 2 274.336 0.098 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001030783769 816288461 /nfs/dbraw/zinc/28/84/61/816288461.db2.gz XQDREWAOMKFZJI-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cccnc3)CC2)C1 ZINC001030824924 816321614 /nfs/dbraw/zinc/32/16/14/816321614.db2.gz GUCSGDJXZMENFL-UHFFFAOYSA-N 1 2 269.348 0.937 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001030971647 816518476 /nfs/dbraw/zinc/51/84/76/816518476.db2.gz QHGYIUZHUNGWDD-UHFFFAOYSA-N 1 2 277.324 0.786 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC001031160852 816720452 /nfs/dbraw/zinc/72/04/52/816720452.db2.gz ZGSGUQBTYFQUBN-CQSZACIVSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001031219627 816834505 /nfs/dbraw/zinc/83/45/05/816834505.db2.gz KHZHYHMOCPIMDV-HNNXBMFYSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001031223055 816841951 /nfs/dbraw/zinc/84/19/51/816841951.db2.gz YNCPVDAFFPODGV-NSHDSACASA-N 1 2 274.368 0.891 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001031223055 816841956 /nfs/dbraw/zinc/84/19/56/816841956.db2.gz YNCPVDAFFPODGV-NSHDSACASA-N 1 2 274.368 0.891 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001031249051 816887545 /nfs/dbraw/zinc/88/75/45/816887545.db2.gz VOQIZLJZPJVIFU-UHFFFAOYSA-N 1 2 287.323 0.425 20 30 CCEDLO C=CCN1C[C@@]2(F)CN(Cc3[nH]c[nH+]c3C)C[C@@]2(F)C1=O ZINC001272662139 816985281 /nfs/dbraw/zinc/98/52/81/816985281.db2.gz WFZRJHGGSGUUFK-UONOGXRCSA-N 1 2 296.321 0.979 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CN2CCCCCC2=O)C1 ZINC001031360237 816999947 /nfs/dbraw/zinc/99/99/47/816999947.db2.gz TUQPIYBPCHSINY-UHFFFAOYSA-N 1 2 279.384 0.766 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001031393557 817028522 /nfs/dbraw/zinc/02/85/22/817028522.db2.gz SMKSAGJWAFUCOK-UHFFFAOYSA-N 1 2 262.313 0.104 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001031492613 817083994 /nfs/dbraw/zinc/08/39/94/817083994.db2.gz JUCQZHNFQPYRBR-LBPRGKRZSA-N 1 2 267.373 0.084 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C(C)C)[C@H](OC)C1 ZINC001212248426 817218016 /nfs/dbraw/zinc/21/80/16/817218016.db2.gz DBGCLYGFBUIOSE-MCIONIFRSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C(C)C)[C@H](OC)C1 ZINC001212248426 817218021 /nfs/dbraw/zinc/21/80/21/817218021.db2.gz DBGCLYGFBUIOSE-MCIONIFRSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212287124 817338568 /nfs/dbraw/zinc/33/85/68/817338568.db2.gz LXWIYMCVOOJUGE-MCIONIFRSA-N 1 2 280.368 0.250 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212287124 817338575 /nfs/dbraw/zinc/33/85/75/817338575.db2.gz LXWIYMCVOOJUGE-MCIONIFRSA-N 1 2 280.368 0.250 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001124483051 817486353 /nfs/dbraw/zinc/48/63/53/817486353.db2.gz JYSFZKLTZSUJSF-CYBMUJFWSA-N 1 2 292.383 0.972 20 30 CCEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001124488254 817487722 /nfs/dbraw/zinc/48/77/22/817487722.db2.gz MLSKZDXHTOGWPS-SNVBAGLBSA-N 1 2 284.385 0.725 20 30 CCEDLO CCO[C@H](C)c1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124902211 817624515 /nfs/dbraw/zinc/62/45/15/817624515.db2.gz HKXCBGQVIMJXTF-NXEZZACHSA-N 1 2 295.343 0.533 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001077593937 817855855 /nfs/dbraw/zinc/85/58/55/817855855.db2.gz MLIXCUFAXXNYPG-CHWSQXEVSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001077593937 817855866 /nfs/dbraw/zinc/85/58/66/817855866.db2.gz MLIXCUFAXXNYPG-CHWSQXEVSA-N 1 2 298.264 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(=O)[nH]1 ZINC001032335670 817899377 /nfs/dbraw/zinc/89/93/77/817899377.db2.gz FRUUDSCMCOGSJU-QWRGUYRKSA-N 1 2 257.293 0.319 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(=O)[nH]1 ZINC001032335670 817899383 /nfs/dbraw/zinc/89/93/83/817899383.db2.gz FRUUDSCMCOGSJU-QWRGUYRKSA-N 1 2 257.293 0.319 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ncn1 ZINC001032360002 817985348 /nfs/dbraw/zinc/98/53/48/817985348.db2.gz DIKCSPTWXXKWBZ-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ncn1 ZINC001032360002 817985353 /nfs/dbraw/zinc/98/53/53/817985353.db2.gz DIKCSPTWXXKWBZ-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001107759079 817987162 /nfs/dbraw/zinc/98/71/62/817987162.db2.gz MLPUAPPYRVNBST-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001107759079 817987165 /nfs/dbraw/zinc/98/71/65/817987165.db2.gz MLPUAPPYRVNBST-ZDUSSCGKSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107777193 817998841 /nfs/dbraw/zinc/99/88/41/817998841.db2.gz IVPRSONPLMRAPD-AAEUAGOBSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001107777193 817998838 /nfs/dbraw/zinc/99/88/38/817998838.db2.gz IVPRSONPLMRAPD-AAEUAGOBSA-N 1 2 256.346 0.414 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cncn1 ZINC001032365365 818011815 /nfs/dbraw/zinc/01/18/15/818011815.db2.gz VOIRIFCWPACXNJ-AVGNSLFASA-N 1 2 273.340 0.148 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cncn1 ZINC001032365365 818011825 /nfs/dbraw/zinc/01/18/25/818011825.db2.gz VOIRIFCWPACXNJ-AVGNSLFASA-N 1 2 273.340 0.148 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(=O)NCC)C1 ZINC001107809560 818020877 /nfs/dbraw/zinc/02/08/77/818020877.db2.gz LNAHPJTXWCTRRG-OAHLLOKOSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(=O)NCC)C1 ZINC001107809560 818020885 /nfs/dbraw/zinc/02/08/85/818020885.db2.gz LNAHPJTXWCTRRG-OAHLLOKOSA-N 1 2 297.399 0.296 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001108043446 818101011 /nfs/dbraw/zinc/10/10/11/818101011.db2.gz KXTTVMYKPDTZBY-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001108043446 818101016 /nfs/dbraw/zinc/10/10/16/818101016.db2.gz KXTTVMYKPDTZBY-CYBMUJFWSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCn1cc(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001044022179 818220617 /nfs/dbraw/zinc/22/06/17/818220617.db2.gz GKZHUAKHQHFECF-LLVKDONJSA-N 1 2 293.371 0.255 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033026309 818439842 /nfs/dbraw/zinc/43/98/42/818439842.db2.gz VKUZAUTWNXWHFV-LLVKDONJSA-N 1 2 259.309 0.567 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ncccc2O)C1 ZINC001033026309 818439850 /nfs/dbraw/zinc/43/98/50/818439850.db2.gz VKUZAUTWNXWHFV-LLVKDONJSA-N 1 2 259.309 0.567 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090073765 818464112 /nfs/dbraw/zinc/46/41/12/818464112.db2.gz QMLLQIFQVDQJSO-RYUDHWBXSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090073765 818464113 /nfs/dbraw/zinc/46/41/13/818464113.db2.gz QMLLQIFQVDQJSO-RYUDHWBXSA-N 1 2 298.774 0.187 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCN(CC#N)C1 ZINC001033212010 818653957 /nfs/dbraw/zinc/65/39/57/818653957.db2.gz OLKRHGXJQDWQJV-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033379145 818749220 /nfs/dbraw/zinc/74/92/20/818749220.db2.gz SPYNFKWDPHGWFR-VIFPVBQESA-N 1 2 292.364 0.138 20 30 CCEDLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033379145 818749226 /nfs/dbraw/zinc/74/92/26/818749226.db2.gz SPYNFKWDPHGWFR-VIFPVBQESA-N 1 2 292.364 0.138 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495181 818800878 /nfs/dbraw/zinc/80/08/78/818800878.db2.gz PQGFCGPWWZXHPK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495181 818800884 /nfs/dbraw/zinc/80/08/84/818800884.db2.gz PQGFCGPWWZXHPK-VXGBXAGGSA-N 1 2 299.802 0.940 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001033980300 819022730 /nfs/dbraw/zinc/02/27/30/819022730.db2.gz SRBBZMUKBHXMJQ-LBPRGKRZSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033980300 819022739 /nfs/dbraw/zinc/02/27/39/819022739.db2.gz SRBBZMUKBHXMJQ-LBPRGKRZSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108156044 819326725 /nfs/dbraw/zinc/32/67/25/819326725.db2.gz WKOUVOOTYDFATA-AWEZNQCLSA-N 1 2 279.340 0.610 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001108156044 819326730 /nfs/dbraw/zinc/32/67/30/819326730.db2.gz WKOUVOOTYDFATA-AWEZNQCLSA-N 1 2 279.340 0.610 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001108157073 819329559 /nfs/dbraw/zinc/32/95/59/819329559.db2.gz NJQLWVHECYACEN-DOMZBBRYSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001108157073 819329564 /nfs/dbraw/zinc/32/95/64/819329564.db2.gz NJQLWVHECYACEN-DOMZBBRYSA-N 1 2 295.383 0.000 20 30 CCEDLO C[N@@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000703870286 819335588 /nfs/dbraw/zinc/33/55/88/819335588.db2.gz RCEQAALWVHDKPC-MRVPVSSYSA-N 1 2 282.325 0.641 20 30 CCEDLO C[N@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000703870286 819335594 /nfs/dbraw/zinc/33/55/94/819335594.db2.gz RCEQAALWVHDKPC-MRVPVSSYSA-N 1 2 282.325 0.641 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035295189 819439630 /nfs/dbraw/zinc/43/96/30/819439630.db2.gz SBOFGUIOVWDRBV-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001035295189 819439632 /nfs/dbraw/zinc/43/96/32/819439632.db2.gz SBOFGUIOVWDRBV-LLVKDONJSA-N 1 2 264.329 0.335 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035297641 819445750 /nfs/dbraw/zinc/44/57/50/819445750.db2.gz DHZMKXHXRZSHRX-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035297641 819445754 /nfs/dbraw/zinc/44/57/54/819445754.db2.gz DHZMKXHXRZSHRX-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2=COCCC2)C1 ZINC001035299557 819451766 /nfs/dbraw/zinc/45/17/66/819451766.db2.gz DHQCEINPEVBVBS-ZDUSSCGKSA-N 1 2 266.341 0.684 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2=COCCC2)C1 ZINC001035299557 819451771 /nfs/dbraw/zinc/45/17/71/819451771.db2.gz DHQCEINPEVBVBS-ZDUSSCGKSA-N 1 2 266.341 0.684 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2C)C1 ZINC001035303208 819455425 /nfs/dbraw/zinc/45/54/25/819455425.db2.gz PBDPVUIPCAZBMF-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2C)C1 ZINC001035303208 819455426 /nfs/dbraw/zinc/45/54/26/819455426.db2.gz PBDPVUIPCAZBMF-LBPRGKRZSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cscn2)C1 ZINC001035318409 819467453 /nfs/dbraw/zinc/46/74/53/819467453.db2.gz VBFVLOMNTXXGFN-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cscn2)C1 ZINC001035318409 819467457 /nfs/dbraw/zinc/46/74/57/819467457.db2.gz VBFVLOMNTXXGFN-LLVKDONJSA-N 1 2 279.365 0.597 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035324051 819470665 /nfs/dbraw/zinc/47/06/65/819470665.db2.gz YGLMYSMBUDZQPZ-NSHDSACASA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001035324051 819470670 /nfs/dbraw/zinc/47/06/70/819470670.db2.gz YGLMYSMBUDZQPZ-NSHDSACASA-N 1 2 277.324 0.404 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2nccn2CC)C1 ZINC001035347454 819485401 /nfs/dbraw/zinc/48/54/01/819485401.db2.gz TXDNXOGNWDPVRR-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2nccn2CC)C1 ZINC001035347454 819485403 /nfs/dbraw/zinc/48/54/03/819485403.db2.gz TXDNXOGNWDPVRR-GFCCVEGCSA-N 1 2 278.356 0.520 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363773 819503113 /nfs/dbraw/zinc/50/31/13/819503113.db2.gz FOWCQCYXERWKKE-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363773 819503115 /nfs/dbraw/zinc/50/31/15/819503115.db2.gz FOWCQCYXERWKKE-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 ZINC001035832026 819635242 /nfs/dbraw/zinc/63/52/42/819635242.db2.gz WYCSQYJCULQUEB-UHFFFAOYSA-N 1 2 299.374 0.855 20 30 CCEDLO C=C(CC)CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001118060671 819691271 /nfs/dbraw/zinc/69/12/71/819691271.db2.gz AQAQKGZETNFDIH-NSHDSACASA-N 1 2 264.329 0.470 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001036127472 819694454 /nfs/dbraw/zinc/69/44/54/819694454.db2.gz UNLOJUCQOQNWLR-QWHCGFSZSA-N 1 2 275.356 0.623 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)[C@H](C)C1 ZINC001036273433 819718838 /nfs/dbraw/zinc/71/88/38/819718838.db2.gz GSGLQLURJDYNLK-PWSUYJOCSA-N 1 2 275.356 0.611 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1NCC#N ZINC001036277402 819718870 /nfs/dbraw/zinc/71/88/70/819718870.db2.gz WZULLFRPWISWTB-TZMCWYRMSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001083919361 820257702 /nfs/dbraw/zinc/25/77/02/820257702.db2.gz VHPAFLSONXKUDS-ZBFHGGJFSA-N 1 2 297.358 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001083919361 820257712 /nfs/dbraw/zinc/25/77/12/820257712.db2.gz VHPAFLSONXKUDS-ZBFHGGJFSA-N 1 2 297.358 0.586 20 30 CCEDLO C=CCCC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001079473758 820406378 /nfs/dbraw/zinc/40/63/78/820406378.db2.gz ZDZXWGCEYILNCE-UHFFFAOYSA-N 1 2 290.367 0.909 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001118395413 820460257 /nfs/dbraw/zinc/46/02/57/820460257.db2.gz MJTUTBFIOYNNCB-LBPRGKRZSA-N 1 2 286.335 0.097 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001079922155 820487454 /nfs/dbraw/zinc/48/74/54/820487454.db2.gz IXPGTBNGWRJILQ-YUSALJHKSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001079922155 820487458 /nfs/dbraw/zinc/48/74/58/820487458.db2.gz IXPGTBNGWRJILQ-YUSALJHKSA-N 1 2 299.802 0.844 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 ZINC001081839191 820852372 /nfs/dbraw/zinc/85/23/72/820852372.db2.gz ASSQATUENSYUTC-VXGBXAGGSA-N 1 2 279.365 0.595 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 ZINC001081839191 820852381 /nfs/dbraw/zinc/85/23/81/820852381.db2.gz ASSQATUENSYUTC-VXGBXAGGSA-N 1 2 279.365 0.595 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@H](OC)C1 ZINC001081845458 820856787 /nfs/dbraw/zinc/85/67/87/820856787.db2.gz GUCPJKORKMKFHS-HUUCEWRRSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@H](OC)C1 ZINC001081845458 820856801 /nfs/dbraw/zinc/85/68/01/820856801.db2.gz GUCPJKORKMKFHS-HUUCEWRRSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@H](OC)C1 ZINC001082324988 820940317 /nfs/dbraw/zinc/94/03/17/820940317.db2.gz LBAWTDLDOZPHJL-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@H](OC)C1 ZINC001082324988 820940321 /nfs/dbraw/zinc/94/03/21/820940321.db2.gz LBAWTDLDOZPHJL-DGCLKSJQSA-N 1 2 291.351 0.689 20 30 CCEDLO N#CCNC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001273207837 821053988 /nfs/dbraw/zinc/05/39/88/821053988.db2.gz FFQPNLNAFKBPAI-UHFFFAOYSA-N 1 2 275.356 0.815 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3)[C@H]2C1 ZINC001083002291 821099374 /nfs/dbraw/zinc/09/93/74/821099374.db2.gz BEMXBVUUZDBREY-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3)[C@H]2C1 ZINC001083002291 821099384 /nfs/dbraw/zinc/09/93/84/821099384.db2.gz BEMXBVUUZDBREY-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 ZINC001083012836 821108115 /nfs/dbraw/zinc/10/81/15/821108115.db2.gz DCSQMJGHFLZNOS-QWHCGFSZSA-N 1 2 275.308 0.223 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 ZINC001083012836 821108121 /nfs/dbraw/zinc/10/81/21/821108121.db2.gz DCSQMJGHFLZNOS-QWHCGFSZSA-N 1 2 275.308 0.223 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC)c3)[C@H]2C1 ZINC001083027227 821115951 /nfs/dbraw/zinc/11/59/51/821115951.db2.gz FFMNTUQSWWBHGR-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC)c3)[C@H]2C1 ZINC001083027227 821115955 /nfs/dbraw/zinc/11/59/55/821115955.db2.gz FFMNTUQSWWBHGR-UONOGXRCSA-N 1 2 288.351 0.061 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(C)c3)[C@H]2C1 ZINC001083034467 821120672 /nfs/dbraw/zinc/12/06/72/821120672.db2.gz BXUQNFYPBFHLNF-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(C)c3)[C@H]2C1 ZINC001083034467 821120677 /nfs/dbraw/zinc/12/06/77/821120677.db2.gz BXUQNFYPBFHLNF-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC)[C@H]2C1 ZINC001083162208 821148296 /nfs/dbraw/zinc/14/82/96/821148296.db2.gz MIVRHCICFHZKPQ-FRRDWIJNSA-N 1 2 268.332 0.669 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC)[C@H]2C1 ZINC001083162208 821148299 /nfs/dbraw/zinc/14/82/99/821148299.db2.gz MIVRHCICFHZKPQ-FRRDWIJNSA-N 1 2 268.332 0.669 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)CC)[C@H]2C1 ZINC001083162209 821149043 /nfs/dbraw/zinc/14/90/43/821149043.db2.gz MIVRHCICFHZKPQ-RWMBFGLXSA-N 1 2 268.332 0.669 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)CC)[C@H]2C1 ZINC001083162209 821149048 /nfs/dbraw/zinc/14/90/48/821149048.db2.gz MIVRHCICFHZKPQ-RWMBFGLXSA-N 1 2 268.332 0.669 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCCC2)[C@@H](O)C1 ZINC001083936945 821158735 /nfs/dbraw/zinc/15/87/35/821158735.db2.gz DLUHMRZKPZZMJP-BNOWGMLFSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCCC2)[C@@H](O)C1 ZINC001083936945 821158741 /nfs/dbraw/zinc/15/87/41/821158741.db2.gz DLUHMRZKPZZMJP-BNOWGMLFSA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](O)C1 ZINC001083985136 821168346 /nfs/dbraw/zinc/16/83/46/821168346.db2.gz QLBNZRZAPORJIM-KGLIPLIRSA-N 1 2 274.320 0.103 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](O)C1 ZINC001083985136 821168348 /nfs/dbraw/zinc/16/83/48/821168348.db2.gz QLBNZRZAPORJIM-KGLIPLIRSA-N 1 2 274.320 0.103 20 30 CCEDLO Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)cn1 ZINC001084232974 821249659 /nfs/dbraw/zinc/24/96/59/821249659.db2.gz ONSTZZGNVSPING-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)cn1 ZINC001084232974 821249666 /nfs/dbraw/zinc/24/96/66/821249666.db2.gz ONSTZZGNVSPING-UXIGCNINSA-N 1 2 299.378 0.977 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001084299519 821276621 /nfs/dbraw/zinc/27/66/21/821276621.db2.gz ZNFSPCMCZNRDIF-VXGBXAGGSA-N 1 2 271.320 0.567 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001084299519 821276627 /nfs/dbraw/zinc/27/66/27/821276627.db2.gz ZNFSPCMCZNRDIF-VXGBXAGGSA-N 1 2 271.320 0.567 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665343 821342672 /nfs/dbraw/zinc/34/26/72/821342672.db2.gz SXPHVAMFQYXZIX-WISYIIOYSA-N 1 2 297.786 0.393 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665343 821342682 /nfs/dbraw/zinc/34/26/82/821342682.db2.gz SXPHVAMFQYXZIX-WISYIIOYSA-N 1 2 297.786 0.393 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC)C[C@H]32)C1 ZINC001084645326 821336289 /nfs/dbraw/zinc/33/62/89/821336289.db2.gz OBYDRIXGKHMAST-CHWSQXEVSA-N 1 2 291.395 0.621 20 30 CCEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC001084645326 821336295 /nfs/dbraw/zinc/33/62/95/821336295.db2.gz OBYDRIXGKHMAST-CHWSQXEVSA-N 1 2 291.395 0.621 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085551244 821786389 /nfs/dbraw/zinc/78/63/89/821786389.db2.gz SPIJRDGGQURTDT-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001085551244 821786390 /nfs/dbraw/zinc/78/63/90/821786390.db2.gz SPIJRDGGQURTDT-CYBMUJFWSA-N 1 2 272.352 0.955 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000828716394 821813546 /nfs/dbraw/zinc/81/35/46/821813546.db2.gz MHCQMNBSOUQWOZ-SNVBAGLBSA-N 1 2 263.297 0.208 20 30 CCEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000828716394 821813549 /nfs/dbraw/zinc/81/35/49/821813549.db2.gz MHCQMNBSOUQWOZ-SNVBAGLBSA-N 1 2 263.297 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCF)c1 ZINC001085685247 821901085 /nfs/dbraw/zinc/90/10/85/821901085.db2.gz MUOIGPUSOQZCRZ-CYBMUJFWSA-N 1 2 278.331 0.632 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCF)c1 ZINC001085685247 821901095 /nfs/dbraw/zinc/90/10/95/821901095.db2.gz MUOIGPUSOQZCRZ-CYBMUJFWSA-N 1 2 278.331 0.632 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085739367 821925948 /nfs/dbraw/zinc/92/59/48/821925948.db2.gz LIRXKOCOMVUCJX-LLVKDONJSA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085739367 821925954 /nfs/dbraw/zinc/92/59/54/821925954.db2.gz LIRXKOCOMVUCJX-LLVKDONJSA-N 1 2 275.308 0.158 20 30 CCEDLO CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812636 821964064 /nfs/dbraw/zinc/96/40/64/821964064.db2.gz IGUCRYOVMLUIJK-NEPJUHHUSA-N 1 2 287.367 0.886 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906172 822008615 /nfs/dbraw/zinc/00/86/15/822008615.db2.gz BGXZIGVAVHZYTA-ZDUSSCGKSA-N 1 2 288.351 0.655 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(OC)nc1 ZINC001085906172 822008624 /nfs/dbraw/zinc/00/86/24/822008624.db2.gz BGXZIGVAVHZYTA-ZDUSSCGKSA-N 1 2 288.351 0.655 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#C)nc1 ZINC001085934184 822022152 /nfs/dbraw/zinc/02/21/52/822022152.db2.gz VGJDETKGLIGAPT-HNNXBMFYSA-N 1 2 267.332 0.842 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C#C)nc1 ZINC001085934184 822022161 /nfs/dbraw/zinc/02/21/61/822022161.db2.gz VGJDETKGLIGAPT-HNNXBMFYSA-N 1 2 267.332 0.842 20 30 CCEDLO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126200 822121432 /nfs/dbraw/zinc/12/14/32/822121432.db2.gz UUBUBNZLOXYGRB-RWMBFGLXSA-N 1 2 287.367 0.453 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276679 822255816 /nfs/dbraw/zinc/25/58/16/822255816.db2.gz RMJVLJRADYUPHL-IUODEOHRSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276679 822255820 /nfs/dbraw/zinc/25/58/20/822255820.db2.gz RMJVLJRADYUPHL-IUODEOHRSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108306546 822344828 /nfs/dbraw/zinc/34/48/28/822344828.db2.gz KZQRRIHYWOUZON-HUUCEWRRSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001108306546 822344837 /nfs/dbraw/zinc/34/48/37/822344837.db2.gz KZQRRIHYWOUZON-HUUCEWRRSA-N 1 2 282.384 0.806 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc(F)cc1C#N ZINC001157769739 837413089 /nfs/dbraw/zinc/41/30/89/837413089.db2.gz AEXIWJCBCYOSCK-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc(F)cc1C#N ZINC001157769739 837413095 /nfs/dbraw/zinc/41/30/95/837413095.db2.gz AEXIWJCBCYOSCK-NSHDSACASA-N 1 2 278.287 0.386 20 30 CCEDLO C[C@@H](c1ncccn1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114256197 837490623 /nfs/dbraw/zinc/49/06/23/837490623.db2.gz WEZGACLCHVAMFW-YYWXWVFPSA-N 1 2 296.374 0.997 20 30 CCEDLO C[C@@H](c1ncccn1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114256197 837490627 /nfs/dbraw/zinc/49/06/27/837490627.db2.gz WEZGACLCHVAMFW-YYWXWVFPSA-N 1 2 296.374 0.997 20 30 CCEDLO C=CCOC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001169564070 836354174 /nfs/dbraw/zinc/35/41/74/836354174.db2.gz VQGYYSHYDUXWLD-ZDUSSCGKSA-N 1 2 281.356 0.547 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)SC)CC2=O)C1 ZINC001108509291 836371129 /nfs/dbraw/zinc/37/11/29/836371129.db2.gz GVNJQLINLQDAGS-GHMZBOCLSA-N 1 2 297.424 0.325 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 ZINC001108527428 836422765 /nfs/dbraw/zinc/42/27/65/836422765.db2.gz IPRYPGSHWCBAHP-NEPJUHHUSA-N 1 2 290.367 0.123 20 30 CCEDLO CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001108935628 836581331 /nfs/dbraw/zinc/58/13/31/836581331.db2.gz YKBSGZONCVTDJW-WOPDTQHZSA-N 1 2 278.356 0.004 20 30 CCEDLO CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001108935628 836581336 /nfs/dbraw/zinc/58/13/36/836581336.db2.gz YKBSGZONCVTDJW-WOPDTQHZSA-N 1 2 278.356 0.004 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001109425261 836677910 /nfs/dbraw/zinc/67/79/10/836677910.db2.gz NSRDEIBZDAZKBC-VWYCJHECSA-N 1 2 299.802 0.972 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001109425261 836677916 /nfs/dbraw/zinc/67/79/16/836677916.db2.gz NSRDEIBZDAZKBC-VWYCJHECSA-N 1 2 299.802 0.972 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112711414 836883427 /nfs/dbraw/zinc/88/34/27/836883427.db2.gz ZWSQVDVKOBAING-GFCCVEGCSA-N 1 2 251.330 0.493 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112804302 836918979 /nfs/dbraw/zinc/91/89/79/836918979.db2.gz IYMLEUXWLNWJNM-HNNXBMFYSA-N 1 2 292.383 0.354 20 30 CCEDLO Cc1nc(NCCCOCCNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001115390293 836971678 /nfs/dbraw/zinc/97/16/78/836971678.db2.gz FGWZMXZJUOXEOD-NSHDSACASA-N 1 2 291.355 0.880 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccnc(C#N)n1 ZINC001113154893 837040168 /nfs/dbraw/zinc/04/01/68/837040168.db2.gz JMCANJOFAGMIDY-VHSXEESVSA-N 1 2 299.338 0.041 20 30 CCEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113154720 837040985 /nfs/dbraw/zinc/04/09/85/837040985.db2.gz IMZQWUZWTNAIBY-UWVGGRQHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001113182085 837047373 /nfs/dbraw/zinc/04/73/73/837047373.db2.gz XPOUVCUNQYIXSM-UHFFFAOYSA-N 1 2 279.344 0.074 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCn2cncn2)CC1 ZINC001113504381 837140779 /nfs/dbraw/zinc/14/07/79/837140779.db2.gz LAXOQPCGCBTEDU-UHFFFAOYSA-N 1 2 275.356 0.226 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001113529449 837148257 /nfs/dbraw/zinc/14/82/57/837148257.db2.gz QTEZBUGKAUUEBM-HNNXBMFYSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCOCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113541713 837156959 /nfs/dbraw/zinc/15/69/59/837156959.db2.gz ZVANJTSGJCCSAQ-LLVKDONJSA-N 1 2 278.356 0.929 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 ZINC001113641901 837185094 /nfs/dbraw/zinc/18/50/94/837185094.db2.gz SLCOAEMAWNPNKW-ZDUSSCGKSA-N 1 2 279.384 0.316 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccc(C#N)nn1 ZINC001113645100 837187260 /nfs/dbraw/zinc/18/72/60/837187260.db2.gz SBOHBQVOGAMEPE-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC001113715046 837204587 /nfs/dbraw/zinc/20/45/87/837204587.db2.gz QNEOVUULTBWQGL-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCF)CC1 ZINC001131378524 838075007 /nfs/dbraw/zinc/07/50/07/838075007.db2.gz CXBMUXWCLCDHHV-UHFFFAOYSA-N 1 2 285.363 0.573 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCF)CC1 ZINC001131378524 838075025 /nfs/dbraw/zinc/07/50/25/838075025.db2.gz CXBMUXWCLCDHHV-UHFFFAOYSA-N 1 2 285.363 0.573 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131739135 838199632 /nfs/dbraw/zinc/19/96/32/838199632.db2.gz PPSMDWFKPFEJSC-VXGBXAGGSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131739135 838199636 /nfs/dbraw/zinc/19/96/36/838199636.db2.gz PPSMDWFKPFEJSC-VXGBXAGGSA-N 1 2 297.374 0.453 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1CNCC#N ZINC001184901192 844308464 /nfs/dbraw/zinc/30/84/64/844308464.db2.gz BDEPGFSDYSOHNT-ZIAGYGMSSA-N 1 2 289.383 0.871 20 30 CCEDLO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132046005 838309236 /nfs/dbraw/zinc/30/92/36/838309236.db2.gz LHVJNOANVTXKMI-OCCSQVGLSA-N 1 2 291.395 0.505 20 30 CCEDLO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132046005 838309244 /nfs/dbraw/zinc/30/92/44/838309244.db2.gz LHVJNOANVTXKMI-OCCSQVGLSA-N 1 2 291.395 0.505 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CN1CC#N ZINC001132087060 838318233 /nfs/dbraw/zinc/31/82/33/838318233.db2.gz LXNRBZHCTYEDMM-DGCLKSJQSA-N 1 2 275.356 0.835 20 30 CCEDLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CN1CC#N ZINC001132087060 838318241 /nfs/dbraw/zinc/31/82/41/838318241.db2.gz LXNRBZHCTYEDMM-DGCLKSJQSA-N 1 2 275.356 0.835 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132314392 838361559 /nfs/dbraw/zinc/36/15/59/838361559.db2.gz KGYQVQUNMTWLAL-JSGCOSHPSA-N 1 2 289.383 0.730 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn[nH]2)CC[C@@H]1C ZINC001132314392 838361565 /nfs/dbraw/zinc/36/15/65/838361565.db2.gz KGYQVQUNMTWLAL-JSGCOSHPSA-N 1 2 289.383 0.730 20 30 CCEDLO N#Cc1cnc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001110356558 844338058 /nfs/dbraw/zinc/33/80/58/844338058.db2.gz BTRPISUBQZWXLK-UHFFFAOYSA-N 1 2 297.322 0.375 20 30 CCEDLO C=C(Cl)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133332424 838599456 /nfs/dbraw/zinc/59/94/56/838599456.db2.gz NDIYXUKDVXRTEH-UHFFFAOYSA-N 1 2 258.709 0.198 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110366502 844444079 /nfs/dbraw/zinc/44/40/79/844444079.db2.gz UGCRTDWSUXUYMH-LPWJVIDDSA-N 1 2 295.383 0.174 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110366502 844444081 /nfs/dbraw/zinc/44/40/81/844444081.db2.gz UGCRTDWSUXUYMH-LPWJVIDDSA-N 1 2 295.383 0.174 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccon1)c1nccn12 ZINC001092350175 841007232 /nfs/dbraw/zinc/00/72/32/841007232.db2.gz QBDUBQDXNPATGZ-GFCCVEGCSA-N 1 2 299.334 0.943 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cocn1)c1nccn12 ZINC001092354926 841007786 /nfs/dbraw/zinc/00/77/86/841007786.db2.gz PEEZLPKOPQUOMO-LLVKDONJSA-N 1 2 299.334 0.943 20 30 CCEDLO Cc1nc(N(C)C)nc(NCCNC(=O)C#CC2CC2)[nH+]1 ZINC001093610334 841380512 /nfs/dbraw/zinc/38/05/12/841380512.db2.gz VRCJAUYDHUUYGB-UHFFFAOYSA-N 1 2 288.355 0.188 20 30 CCEDLO N#Cc1ccc(NCCNC(=O)CCn2cc[nH+]c2)nn1 ZINC001094024697 841513068 /nfs/dbraw/zinc/51/30/68/841513068.db2.gz SGRQCMILVAFOEX-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)nn1 ZINC001094188763 841562483 /nfs/dbraw/zinc/56/24/83/841562483.db2.gz MWFVMOTUAWYNAB-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)nn1 ZINC001094188763 841562493 /nfs/dbraw/zinc/56/24/93/841562493.db2.gz MWFVMOTUAWYNAB-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3(F)F)nn2)C1 ZINC001094289552 841599312 /nfs/dbraw/zinc/59/93/12/841599312.db2.gz OOLKGGGEEWWRCF-NSHDSACASA-N 1 2 297.309 0.592 20 30 CCEDLO Cc1cc(C#N)nc(NCCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001094549439 841672482 /nfs/dbraw/zinc/67/24/82/841672482.db2.gz KBDUQFUUNJZNOF-UHFFFAOYSA-N 1 2 299.338 0.541 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC34CC4)CC2=O)C1 ZINC001094791952 841722991 /nfs/dbraw/zinc/72/29/91/841722991.db2.gz IVRGYHYDTOTLSO-AAEUAGOBSA-N 1 2 289.379 0.374 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC1=O ZINC001171705476 841751153 /nfs/dbraw/zinc/75/11/53/841751153.db2.gz VNBOIVAJNNBFAY-QWRGUYRKSA-N 1 2 294.355 0.320 20 30 CCEDLO CC(C)OC(=O)CC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001172755619 841967350 /nfs/dbraw/zinc/96/73/50/841967350.db2.gz RBEGKRPOPLKKEJ-RYUDHWBXSA-N 1 2 253.346 0.904 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150159918 842017189 /nfs/dbraw/zinc/01/71/89/842017189.db2.gz SIHYHYMWHVFOEV-OLZOCXBDSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150159918 842017176 /nfs/dbraw/zinc/01/71/76/842017176.db2.gz SIHYHYMWHVFOEV-OLZOCXBDSA-N 1 2 297.399 0.281 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(CC(F)(F)F)CC1 ZINC001173667569 842127094 /nfs/dbraw/zinc/12/70/94/842127094.db2.gz ZKUTXULVVJXLGI-NSHDSACASA-N 1 2 276.306 0.810 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C#N)C1 ZINC001176356355 842363457 /nfs/dbraw/zinc/36/34/57/842363457.db2.gz ZWBQFWCARKMXBB-DGCLKSJQSA-N 1 2 289.339 0.219 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C#N)C1 ZINC001176356355 842363469 /nfs/dbraw/zinc/36/34/69/842363469.db2.gz ZWBQFWCARKMXBB-DGCLKSJQSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876305 842434950 /nfs/dbraw/zinc/43/49/50/842434950.db2.gz MOHUKUBDIBTOQJ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876305 842434953 /nfs/dbraw/zinc/43/49/53/842434953.db2.gz MOHUKUBDIBTOQJ-KGLIPLIRSA-N 1 2 282.384 0.901 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176968173 842473592 /nfs/dbraw/zinc/47/35/92/842473592.db2.gz COKUFSLMDZHYBV-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176968173 842473598 /nfs/dbraw/zinc/47/35/98/842473598.db2.gz COKUFSLMDZHYBV-HUUCEWRRSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176968174 842474067 /nfs/dbraw/zinc/47/40/67/842474067.db2.gz COKUFSLMDZHYBV-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176968174 842474073 /nfs/dbraw/zinc/47/40/73/842474073.db2.gz COKUFSLMDZHYBV-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO CN(CC(=O)Nc1[nH]cnc1C#N)c1cccc[nH+]1 ZINC001177408330 842582143 /nfs/dbraw/zinc/58/21/43/842582143.db2.gz CFXVARGBNBWDCK-UHFFFAOYSA-N 1 2 256.269 0.751 20 30 CCEDLO CN(CC(=O)Nc1cn(C)nc1C#N)c1cccc[nH+]1 ZINC001177409023 842582785 /nfs/dbraw/zinc/58/27/85/842582785.db2.gz GUHROUCPIYHPAS-UHFFFAOYSA-N 1 2 270.296 0.762 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC001110207390 842587479 /nfs/dbraw/zinc/58/74/79/842587479.db2.gz ZBMFRMZJQSLTSU-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)Cc2ccnc(C#N)c2)c1 ZINC001177673799 842649550 /nfs/dbraw/zinc/64/95/50/842649550.db2.gz XSMSKTMVRSWTSS-UHFFFAOYSA-N 1 2 269.308 0.588 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)C#Cc2ccccn2)[nH+]1 ZINC001177804393 842682177 /nfs/dbraw/zinc/68/21/77/842682177.db2.gz SNXNLFSDTTZVGL-UHFFFAOYSA-N 1 2 254.293 0.824 20 30 CCEDLO COc1cc(N2CCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001179897526 843071590 /nfs/dbraw/zinc/07/15/90/843071590.db2.gz ZALVISBINCLOJA-NSHDSACASA-N 1 2 274.324 0.898 20 30 CCEDLO C=CCSCC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001180560783 843209952 /nfs/dbraw/zinc/20/99/52/843209952.db2.gz DNSPBJZNTJQJSG-UHFFFAOYSA-N 1 2 270.398 0.887 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273469326 843410395 /nfs/dbraw/zinc/41/03/95/843410395.db2.gz FTJANUDGCNXIJT-QWHCGFSZSA-N 1 2 274.311 0.783 20 30 CCEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273469326 843410399 /nfs/dbraw/zinc/41/03/99/843410399.db2.gz FTJANUDGCNXIJT-QWHCGFSZSA-N 1 2 274.311 0.783 20 30 CCEDLO C=C[C@H]1C[C@]1(NC(=O)Cc1cc[nH+]c(N)c1)C(=O)OCC ZINC001181279481 843442237 /nfs/dbraw/zinc/44/22/37/843442237.db2.gz JTTZBXHRODTWRC-XHDPSFHLSA-N 1 2 289.335 0.830 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182203881 843748004 /nfs/dbraw/zinc/74/80/04/843748004.db2.gz HVZDXNSPDMVVHH-ZWNOBZJWSA-N 1 2 296.396 0.556 20 30 CCEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001182828341 843925799 /nfs/dbraw/zinc/92/57/99/843925799.db2.gz DYJCOIQJWBOXFN-JTQLQIEISA-N 1 2 285.311 0.223 20 30 CCEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001182828341 843925803 /nfs/dbraw/zinc/92/58/03/843925803.db2.gz DYJCOIQJWBOXFN-JTQLQIEISA-N 1 2 285.311 0.223 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001189909446 845262937 /nfs/dbraw/zinc/26/29/37/845262937.db2.gz CUUUUIXDKLGHES-CYBMUJFWSA-N 1 2 289.383 0.651 20 30 CCEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001189909446 845262942 /nfs/dbraw/zinc/26/29/42/845262942.db2.gz CUUUUIXDKLGHES-CYBMUJFWSA-N 1 2 289.383 0.651 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001190115121 845337566 /nfs/dbraw/zinc/33/75/66/845337566.db2.gz XFQDTOITHKBCBO-CQSZACIVSA-N 1 2 291.351 0.747 20 30 CCEDLO C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190115121 845337576 /nfs/dbraw/zinc/33/75/76/845337576.db2.gz XFQDTOITHKBCBO-CQSZACIVSA-N 1 2 291.351 0.747 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191162502 845598938 /nfs/dbraw/zinc/59/89/38/845598938.db2.gz WDAMHTSRTSCFFJ-GMTAPVOTSA-N 1 2 289.376 0.153 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191162502 845598942 /nfs/dbraw/zinc/59/89/42/845598942.db2.gz WDAMHTSRTSCFFJ-GMTAPVOTSA-N 1 2 289.376 0.153 20 30 CCEDLO C[NH+]1CC(NC(=O)c2ccc(C#CC(C)(C)O)cc2)C1 ZINC001191187279 845613384 /nfs/dbraw/zinc/61/33/84/845613384.db2.gz OBAMPDRHNBMGEA-UHFFFAOYSA-N 1 2 272.348 0.853 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001193174009 845997871 /nfs/dbraw/zinc/99/78/71/845997871.db2.gz XEGBEUDJBBTJRT-NSHDSACASA-N 1 2 294.380 0.882 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001193258401 846036782 /nfs/dbraw/zinc/03/67/82/846036782.db2.gz INMGJAPCDGCBQY-GHMZBOCLSA-N 1 2 270.760 0.560 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001193258401 846036790 /nfs/dbraw/zinc/03/67/90/846036790.db2.gz INMGJAPCDGCBQY-GHMZBOCLSA-N 1 2 270.760 0.560 20 30 CCEDLO N#Cc1cccc(C(=O)n2cc(C[NH3+])cnc2=N)c1O ZINC001193658888 846140413 /nfs/dbraw/zinc/14/04/13/846140413.db2.gz FYYMUCMAMGZYTJ-UHFFFAOYSA-N 1 2 269.264 0.087 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC001195314595 846504609 /nfs/dbraw/zinc/50/46/09/846504609.db2.gz NVOSUEGQVMIXDK-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCOCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC001195314595 846504618 /nfs/dbraw/zinc/50/46/18/846504618.db2.gz NVOSUEGQVMIXDK-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001195445481 846532409 /nfs/dbraw/zinc/53/24/09/846532409.db2.gz ZHTQHCXHLGPIQX-MGPQQGTHSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001195445481 846532415 /nfs/dbraw/zinc/53/24/15/846532415.db2.gz ZHTQHCXHLGPIQX-MGPQQGTHSA-N 1 2 294.395 0.234 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001195497568 846552957 /nfs/dbraw/zinc/55/29/57/846552957.db2.gz OZTOFPGQIMARGO-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001195497568 846552961 /nfs/dbraw/zinc/55/29/61/846552961.db2.gz OZTOFPGQIMARGO-ZDUSSCGKSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001195732824 846604723 /nfs/dbraw/zinc/60/47/23/846604723.db2.gz LEIPKFHJUAFZRG-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001195732824 846604727 /nfs/dbraw/zinc/60/47/27/846604727.db2.gz LEIPKFHJUAFZRG-ZIAGYGMSSA-N 1 2 292.383 0.438 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195747406 846619714 /nfs/dbraw/zinc/61/97/14/846619714.db2.gz PUWWLMYGUFSWIP-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195747406 846619722 /nfs/dbraw/zinc/61/97/22/846619722.db2.gz PUWWLMYGUFSWIP-UHFFFAOYSA-N 1 2 291.395 0.482 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066841 846676763 /nfs/dbraw/zinc/67/67/63/846676763.db2.gz PNXPWOIMBZUHEX-UHFFFAOYSA-N 1 2 288.779 0.202 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066841 846676772 /nfs/dbraw/zinc/67/67/72/846676772.db2.gz PNXPWOIMBZUHEX-UHFFFAOYSA-N 1 2 288.779 0.202 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001196482880 846752412 /nfs/dbraw/zinc/75/24/12/846752412.db2.gz UETUXBPBYHNOMB-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001196482880 846752422 /nfs/dbraw/zinc/75/24/22/846752422.db2.gz UETUXBPBYHNOMB-IJLUTSLNSA-N 1 2 297.399 0.014 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196665626 846784284 /nfs/dbraw/zinc/78/42/84/846784284.db2.gz GJLLHNFXPJOEQI-HNNXBMFYSA-N 1 2 297.399 0.235 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196665626 846784299 /nfs/dbraw/zinc/78/42/99/846784299.db2.gz GJLLHNFXPJOEQI-HNNXBMFYSA-N 1 2 297.399 0.235 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203241802 846840925 /nfs/dbraw/zinc/84/09/25/846840925.db2.gz UAKNDRKSFKQQIN-QWHCGFSZSA-N 1 2 287.367 0.814 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001197220725 846883151 /nfs/dbraw/zinc/88/31/51/846883151.db2.gz IBBFOOYFCQXOON-UMVBOHGHSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001197220725 846883157 /nfs/dbraw/zinc/88/31/57/846883157.db2.gz IBBFOOYFCQXOON-UMVBOHGHSA-N 1 2 266.385 0.997 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2oncc2C)CC1 ZINC001197677167 846946126 /nfs/dbraw/zinc/94/61/26/846946126.db2.gz XQHGBXLGKIDTKT-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2oncc2C)CC1 ZINC001197677167 846946131 /nfs/dbraw/zinc/94/61/31/846946131.db2.gz XQHGBXLGKIDTKT-UHFFFAOYSA-N 1 2 291.351 0.781 20 30 CCEDLO C#Cc1cc(Nc2cnn(CC3OCCO3)c2)cc[nH+]1 ZINC001201249910 847750672 /nfs/dbraw/zinc/75/06/72/847750672.db2.gz ZCVHAQLSWVWXFB-UHFFFAOYSA-N 1 2 270.292 0.798 20 30 CCEDLO C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201514559 847786451 /nfs/dbraw/zinc/78/64/51/847786451.db2.gz HDDCPDWHAWHYIT-ZDUSSCGKSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001153148160 847933842 /nfs/dbraw/zinc/93/38/42/847933842.db2.gz ABXWNPXUKJQQHE-MNOVXSKESA-N 1 2 296.371 0.990 20 30 CCEDLO C=C(Br)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000379853254 847993257 /nfs/dbraw/zinc/99/32/57/847993257.db2.gz BETGSFFZYIAMAR-UHFFFAOYSA-N 1 2 280.162 0.999 20 30 CCEDLO C=C[C@@](C)(O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252547323 848000531 /nfs/dbraw/zinc/00/05/31/848000531.db2.gz FUYLOLXGNCBOCY-TZMCWYRMSA-N 1 2 280.372 0.781 20 30 CCEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252547323 848000538 /nfs/dbraw/zinc/00/05/38/848000538.db2.gz FUYLOLXGNCBOCY-TZMCWYRMSA-N 1 2 280.372 0.781 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001253538475 848262823 /nfs/dbraw/zinc/26/28/23/848262823.db2.gz GESDNAQATFFIOO-UHFFFAOYSA-N 1 2 273.340 0.331 20 30 CCEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001274031997 848310186 /nfs/dbraw/zinc/31/01/86/848310186.db2.gz DHFQQEFMHURCSS-JHJVBQTASA-N 1 2 290.367 0.244 20 30 CCEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001274031997 848310192 /nfs/dbraw/zinc/31/01/92/848310192.db2.gz DHFQQEFMHURCSS-JHJVBQTASA-N 1 2 290.367 0.244 20 30 CCEDLO C=C[C@](C)(O)C[N@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274621318 848525715 /nfs/dbraw/zinc/52/57/15/848525715.db2.gz RMWXABFKAMIOFP-QJPTWQEYSA-N 1 2 260.284 0.128 20 30 CCEDLO C=C[C@](C)(O)C[N@@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274621318 848525718 /nfs/dbraw/zinc/52/57/18/848525718.db2.gz RMWXABFKAMIOFP-QJPTWQEYSA-N 1 2 260.284 0.128 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850117 848845098 /nfs/dbraw/zinc/84/50/98/848845098.db2.gz KYGAXGGVRLHKKU-VIFPVBQESA-N 1 2 275.780 0.687 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850117 848845101 /nfs/dbraw/zinc/84/51/01/848845101.db2.gz KYGAXGGVRLHKKU-VIFPVBQESA-N 1 2 275.780 0.687 20 30 CCEDLO CC(C)=CC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C#N)C1 ZINC001276036788 848900625 /nfs/dbraw/zinc/90/06/25/848900625.db2.gz CCCVBPQYDDFFGG-LBPRGKRZSA-N 1 2 265.357 0.665 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC2(C)C)C1 ZINC001276043819 848907908 /nfs/dbraw/zinc/90/79/08/848907908.db2.gz JPJIUQZVKQCNMZ-GFCCVEGCSA-N 1 2 264.369 0.609 20 30 CCEDLO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001276290403 848986637 /nfs/dbraw/zinc/98/66/37/848986637.db2.gz QQIUWJRQAMRADO-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CS(C)(=O)=O ZINC001276290403 848986641 /nfs/dbraw/zinc/98/66/41/848986641.db2.gz QQIUWJRQAMRADO-GFCCVEGCSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110933001 849030221 /nfs/dbraw/zinc/03/02/21/849030221.db2.gz DVRBEYPBCJBTSY-LOWDOPEQSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110933001 849030226 /nfs/dbraw/zinc/03/02/26/849030226.db2.gz DVRBEYPBCJBTSY-LOWDOPEQSA-N 1 2 279.384 0.796 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114753497 849386760 /nfs/dbraw/zinc/38/67/60/849386760.db2.gz WVXRHJYDNMQDGQ-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001114753497 849386774 /nfs/dbraw/zinc/38/67/74/849386774.db2.gz WVXRHJYDNMQDGQ-NHAGDIPZSA-N 1 2 289.383 0.718 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038641741 849790832 /nfs/dbraw/zinc/79/08/32/849790832.db2.gz ZONAHSFNGOKHEQ-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038641741 849790834 /nfs/dbraw/zinc/79/08/34/849790834.db2.gz ZONAHSFNGOKHEQ-VXGBXAGGSA-N 1 2 287.367 0.438 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038166826 849806373 /nfs/dbraw/zinc/80/63/73/849806373.db2.gz CQSIDUYRFQJXSC-GFCCVEGCSA-N 1 2 298.350 0.624 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001038217291 849820954 /nfs/dbraw/zinc/82/09/54/849820954.db2.gz NMWAFUBXLOMVGN-QWHCGFSZSA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001038217291 849820958 /nfs/dbraw/zinc/82/09/58/849820958.db2.gz NMWAFUBXLOMVGN-QWHCGFSZSA-N 1 2 250.342 0.627 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCN3CC#N)ccn12 ZINC001038247082 849828387 /nfs/dbraw/zinc/82/83/87/849828387.db2.gz SFAFHAGVVFFADP-CYBMUJFWSA-N 1 2 283.335 0.970 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038265407 849834883 /nfs/dbraw/zinc/83/48/83/849834883.db2.gz CIDXYCMUSQOQAW-RDBSUJKOSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038265407 849834887 /nfs/dbraw/zinc/83/48/87/849834887.db2.gz CIDXYCMUSQOQAW-RDBSUJKOSA-N 1 2 264.369 0.871 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001038383378 849874149 /nfs/dbraw/zinc/87/41/49/849874149.db2.gz RBTVDWMIOZGPSI-SNVBAGLBSA-N 1 2 298.268 0.933 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001038383378 849874154 /nfs/dbraw/zinc/87/41/54/849874154.db2.gz RBTVDWMIOZGPSI-SNVBAGLBSA-N 1 2 298.268 0.933 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038438483 849898139 /nfs/dbraw/zinc/89/81/39/849898139.db2.gz IMJMWHXLRSTWSD-ZDUSSCGKSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001038438483 849898146 /nfs/dbraw/zinc/89/81/46/849898146.db2.gz IMJMWHXLRSTWSD-ZDUSSCGKSA-N 1 2 283.335 0.475 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001038499932 849922829 /nfs/dbraw/zinc/92/28/29/849922829.db2.gz GXBZRTVWODNFLX-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001038499932 849922840 /nfs/dbraw/zinc/92/28/40/849922840.db2.gz GXBZRTVWODNFLX-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001038559687 849941651 /nfs/dbraw/zinc/94/16/51/849941651.db2.gz LZLUOGCQGZEOQL-CYBMUJFWSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001038559687 849941657 /nfs/dbraw/zinc/94/16/57/849941657.db2.gz LZLUOGCQGZEOQL-CYBMUJFWSA-N 1 2 297.362 0.714 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001038576095 849947191 /nfs/dbraw/zinc/94/71/91/849947191.db2.gz PLBLPAYKLZSUHT-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001038576095 849947196 /nfs/dbraw/zinc/94/71/96/849947196.db2.gz PLBLPAYKLZSUHT-CYBMUJFWSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001038786174 850016481 /nfs/dbraw/zinc/01/64/81/850016481.db2.gz LZJLPNNUWYHQRJ-KGLIPLIRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001038786174 850016485 /nfs/dbraw/zinc/01/64/85/850016485.db2.gz LZJLPNNUWYHQRJ-KGLIPLIRSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001038803721 850020899 /nfs/dbraw/zinc/02/08/99/850020899.db2.gz DGKWEXQPMCJVQD-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001038803721 850020904 /nfs/dbraw/zinc/02/09/04/850020904.db2.gz DGKWEXQPMCJVQD-LBPRGKRZSA-N 1 2 268.320 0.772 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038806677 850022678 /nfs/dbraw/zinc/02/26/78/850022678.db2.gz QDXJWFXIDFUSRB-VIFPVBQESA-N 1 2 279.365 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038806677 850022681 /nfs/dbraw/zinc/02/26/81/850022681.db2.gz QDXJWFXIDFUSRB-VIFPVBQESA-N 1 2 279.365 0.837 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001038824720 850028290 /nfs/dbraw/zinc/02/82/90/850028290.db2.gz JZFWZXGIYULUJC-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001038824720 850028294 /nfs/dbraw/zinc/02/82/94/850028294.db2.gz JZFWZXGIYULUJC-CYBMUJFWSA-N 1 2 272.352 0.921 20 30 CCEDLO C[NH+](C)Cc1csc(CNc2ccnc(C#N)n2)n1 ZINC000722378808 850045954 /nfs/dbraw/zinc/04/59/54/850045954.db2.gz XMWCVHYWRQNXKX-UHFFFAOYSA-N 1 2 274.353 0.900 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038879032 850062516 /nfs/dbraw/zinc/06/25/16/850062516.db2.gz RNCCXVQSSOPHGB-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038879032 850062520 /nfs/dbraw/zinc/06/25/20/850062520.db2.gz RNCCXVQSSOPHGB-GFCCVEGCSA-N 1 2 274.368 0.981 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)nc1 ZINC001038940645 850096554 /nfs/dbraw/zinc/09/65/54/850096554.db2.gz DIVTUNPUWIBZNX-CQSZACIVSA-N 1 2 253.305 0.500 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)nc1 ZINC001038940645 850096560 /nfs/dbraw/zinc/09/65/60/850096560.db2.gz DIVTUNPUWIBZNX-CQSZACIVSA-N 1 2 253.305 0.500 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001038959041 850100528 /nfs/dbraw/zinc/10/05/28/850100528.db2.gz WMZIJPXIFVDMOY-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001038959041 850100533 /nfs/dbraw/zinc/10/05/33/850100533.db2.gz WMZIJPXIFVDMOY-LBPRGKRZSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038965778 850102959 /nfs/dbraw/zinc/10/29/59/850102959.db2.gz WGCHFTGRIYNTES-JTQLQIEISA-N 1 2 264.304 0.305 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001038965778 850102968 /nfs/dbraw/zinc/10/29/68/850102968.db2.gz WGCHFTGRIYNTES-JTQLQIEISA-N 1 2 264.304 0.305 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039072966 850146505 /nfs/dbraw/zinc/14/65/05/850146505.db2.gz HNAVAEKWKMNSJZ-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001039072966 850146516 /nfs/dbraw/zinc/14/65/16/850146516.db2.gz HNAVAEKWKMNSJZ-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714800 850489391 /nfs/dbraw/zinc/48/93/91/850489391.db2.gz RQVQLNJZQUKOTF-INIZCTEOSA-N 1 2 286.379 0.900 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001042723877 850744873 /nfs/dbraw/zinc/74/48/73/850744873.db2.gz NVHAKIMTRPJNFI-ZDUSSCGKSA-N 1 2 286.379 0.996 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001042810805 850763588 /nfs/dbraw/zinc/76/35/88/850763588.db2.gz JTIBFSXVQCLBRE-UHFFFAOYSA-N 1 2 271.324 0.900 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001042829199 850765196 /nfs/dbraw/zinc/76/51/96/850765196.db2.gz XBCXXXFQPDIGDY-ZDUSSCGKSA-N 1 2 293.411 0.962 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC001043186536 850828948 /nfs/dbraw/zinc/82/89/48/850828948.db2.gz QHLCUXBEKFMHSH-VXGBXAGGSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001043301198 850850793 /nfs/dbraw/zinc/85/07/93/850850793.db2.gz WCTMMNVOUBELKN-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001043834221 850946221 /nfs/dbraw/zinc/94/62/21/850946221.db2.gz KHLXAKUZRWASHJ-CYBMUJFWSA-N 1 2 277.368 0.211 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 ZINC001043934455 850966768 /nfs/dbraw/zinc/96/67/68/850966768.db2.gz ADNDZMDWAAETBL-CMPLNLGQSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001044181704 851034589 /nfs/dbraw/zinc/03/45/89/851034589.db2.gz HCGXANULPQWICW-LLVKDONJSA-N 1 2 274.368 0.843 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001044194691 851037016 /nfs/dbraw/zinc/03/70/16/851037016.db2.gz KKEQPIKVPSVQTH-UHFFFAOYSA-N 1 2 287.367 0.322 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001044308770 851072523 /nfs/dbraw/zinc/07/25/23/851072523.db2.gz PMFPJHYHBQFNOY-UHFFFAOYSA-N 1 2 297.362 0.817 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819807 851163242 /nfs/dbraw/zinc/16/32/42/851163242.db2.gz BAQBVQJSFQZCRB-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC001046066156 851360508 /nfs/dbraw/zinc/36/05/08/851360508.db2.gz IUNUBWZHHWSDPN-UONOGXRCSA-N 1 2 288.395 0.529 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN(CC#N)C1 ZINC001046386027 851483929 /nfs/dbraw/zinc/48/39/29/851483929.db2.gz UGJVTOCJZQRWMA-GYSYKLTISA-N 1 2 273.340 0.617 20 30 CCEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN(CC#N)C1 ZINC001046386027 851483930 /nfs/dbraw/zinc/48/39/30/851483930.db2.gz UGJVTOCJZQRWMA-GYSYKLTISA-N 1 2 273.340 0.617 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046565899 851549379 /nfs/dbraw/zinc/54/93/79/851549379.db2.gz WQQDDAJWCQPKEH-BXUZGUMPSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046565899 851549393 /nfs/dbraw/zinc/54/93/93/851549393.db2.gz WQQDDAJWCQPKEH-BXUZGUMPSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046849025 851630979 /nfs/dbraw/zinc/63/09/79/851630979.db2.gz LYQHFJYGQLMCCP-JSGCOSHPSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046849025 851630982 /nfs/dbraw/zinc/63/09/82/851630982.db2.gz LYQHFJYGQLMCCP-JSGCOSHPSA-N 1 2 298.408 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001047283886 851695611 /nfs/dbraw/zinc/69/56/11/851695611.db2.gz WXRVGHDQCBAZEI-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001047283886 851695615 /nfs/dbraw/zinc/69/56/15/851695615.db2.gz WXRVGHDQCBAZEI-RYUDHWBXSA-N 1 2 278.377 0.807 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cncc2F)C1 ZINC001047396144 851750129 /nfs/dbraw/zinc/75/01/29/851750129.db2.gz SPGDEVUMXPFLCP-RYUDHWBXSA-N 1 2 295.289 0.110 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cncc2F)C1 ZINC001047396144 851750133 /nfs/dbraw/zinc/75/01/33/851750133.db2.gz SPGDEVUMXPFLCP-RYUDHWBXSA-N 1 2 295.289 0.110 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047428874 851762357 /nfs/dbraw/zinc/76/23/57/851762357.db2.gz LKRTVTYUSWKSGZ-ILXRZTDVSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047428874 851762362 /nfs/dbraw/zinc/76/23/62/851762362.db2.gz LKRTVTYUSWKSGZ-ILXRZTDVSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047428874 851762373 /nfs/dbraw/zinc/76/23/73/851762373.db2.gz LKRTVTYUSWKSGZ-ILXRZTDVSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047428874 851762379 /nfs/dbraw/zinc/76/23/79/851762379.db2.gz LKRTVTYUSWKSGZ-ILXRZTDVSA-N 1 2 295.427 0.550 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047428874 851762380 /nfs/dbraw/zinc/76/23/80/851762380.db2.gz LKRTVTYUSWKSGZ-ILXRZTDVSA-N 1 2 295.427 0.550 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)no1)C2 ZINC001096982146 852476832 /nfs/dbraw/zinc/47/68/32/852476832.db2.gz TXKYZTGDIXHQAA-MXWKQRLJSA-N 1 2 275.308 0.652 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)no1)C2 ZINC001096982146 852476839 /nfs/dbraw/zinc/47/68/39/852476839.db2.gz TXKYZTGDIXHQAA-MXWKQRLJSA-N 1 2 275.308 0.652 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]n1)C2 ZINC001097409617 852535119 /nfs/dbraw/zinc/53/51/19/852535119.db2.gz OPTMIEKYQNCPCS-FOGDFJRCSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]n1)C2 ZINC001097409617 852535129 /nfs/dbraw/zinc/53/51/29/852535129.db2.gz OPTMIEKYQNCPCS-FOGDFJRCSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn[nH]1)C2 ZINC001097409617 852535134 /nfs/dbraw/zinc/53/51/34/852535134.db2.gz OPTMIEKYQNCPCS-FOGDFJRCSA-N 1 2 259.313 0.163 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn[nH]1)C2 ZINC001097409617 852535143 /nfs/dbraw/zinc/53/51/43/852535143.db2.gz OPTMIEKYQNCPCS-FOGDFJRCSA-N 1 2 259.313 0.163 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001052869956 852665231 /nfs/dbraw/zinc/66/52/31/852665231.db2.gz OMCLCVBKUXRTPQ-GFCCVEGCSA-N 1 2 275.356 0.457 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053190780 852706900 /nfs/dbraw/zinc/70/69/00/852706900.db2.gz DZXOSEMIJJTZPW-GFCCVEGCSA-N 1 2 263.341 0.635 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053260016 852720201 /nfs/dbraw/zinc/72/02/01/852720201.db2.gz VOUZACXLOGKFET-KGLIPLIRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC1(O)CCC1)CCO2 ZINC001053251832 852720719 /nfs/dbraw/zinc/72/07/19/852720719.db2.gz FNURIQIFHVNXBD-UHFFFAOYSA-N 1 2 294.395 0.781 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C)c1)O2 ZINC001053569542 852762526 /nfs/dbraw/zinc/76/25/26/852762526.db2.gz BVBQCHYYRUMXHR-ZDUSSCGKSA-N 1 2 290.367 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn[nH]1)CO2 ZINC001053744136 852799619 /nfs/dbraw/zinc/79/96/19/852799619.db2.gz HFAPGOUJAFBQJE-NSHDSACASA-N 1 2 276.340 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1C)CO2 ZINC001053756086 852807382 /nfs/dbraw/zinc/80/73/82/852807382.db2.gz OLGUZKQVKAFWOF-GFCCVEGCSA-N 1 2 288.351 0.017 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1[nH]ccc1C)CO2 ZINC001053793757 852823467 /nfs/dbraw/zinc/82/34/67/852823467.db2.gz WZYPNCRAJFSECU-CYBMUJFWSA-N 1 2 287.363 0.920 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncn1C)CO2 ZINC001053859784 852833623 /nfs/dbraw/zinc/83/36/23/852833623.db2.gz OVMBNAVELDPDLB-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncn1C)CO2 ZINC001053859145 852834568 /nfs/dbraw/zinc/83/45/68/852834568.db2.gz BIUYVLRKOIOQOZ-GFCCVEGCSA-N 1 2 288.351 0.017 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1csnn1)CO2 ZINC001053883005 852838153 /nfs/dbraw/zinc/83/81/53/852838153.db2.gz LWTYLZWKHJRMGQ-SNVBAGLBSA-N 1 2 294.380 0.687 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1[nH]cnc1C)CO2 ZINC001054026137 852871890 /nfs/dbraw/zinc/87/18/90/852871890.db2.gz QQWXYZCSPUEOQJ-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1nccnc1C#N ZINC001097955314 852997303 /nfs/dbraw/zinc/99/73/03/852997303.db2.gz JKELYWFAPNHSJM-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NCC#N ZINC001054722110 853002803 /nfs/dbraw/zinc/00/28/03/853002803.db2.gz PPZGVKXFUXMPNC-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC001054722110 853002806 /nfs/dbraw/zinc/00/28/06/853002806.db2.gz PPZGVKXFUXMPNC-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001056871495 853238798 /nfs/dbraw/zinc/23/87/98/853238798.db2.gz LOSDLQQQOQIABI-ZYHUDNBSSA-N 1 2 273.340 0.982 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050834454 853453577 /nfs/dbraw/zinc/45/35/77/853453577.db2.gz QPOSXPICCLAIKB-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050834454 853453579 /nfs/dbraw/zinc/45/35/79/853453579.db2.gz QPOSXPICCLAIKB-GFCCVEGCSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051154360 853533297 /nfs/dbraw/zinc/53/32/97/853533297.db2.gz DNOTXWNROQBGHF-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051154360 853533303 /nfs/dbraw/zinc/53/33/03/853533303.db2.gz DNOTXWNROQBGHF-LBPRGKRZSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001051245586 853554187 /nfs/dbraw/zinc/55/41/87/853554187.db2.gz PFNLVAFIXSTQNE-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001051245586 853554197 /nfs/dbraw/zinc/55/41/97/853554197.db2.gz PFNLVAFIXSTQNE-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nonc1C ZINC001051267376 853557675 /nfs/dbraw/zinc/55/76/75/853557675.db2.gz APUYTTKHGUTDCH-LBPRGKRZSA-N 1 2 294.355 0.775 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nonc1C ZINC001051267376 853557681 /nfs/dbraw/zinc/55/76/81/853557681.db2.gz APUYTTKHGUTDCH-LBPRGKRZSA-N 1 2 294.355 0.775 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001052009221 853675198 /nfs/dbraw/zinc/67/51/98/853675198.db2.gz LKPDPDNTLCCTHL-UYSNPLJNSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001052067446 853681921 /nfs/dbraw/zinc/68/19/21/853681921.db2.gz JYXWYBZDWYBLTE-CABCVRRESA-N 1 2 295.402 0.832 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001058321107 853824788 /nfs/dbraw/zinc/82/47/88/853824788.db2.gz SCMNJFXKGDTGND-LBPRGKRZSA-N 1 2 296.334 0.994 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058930 853882501 /nfs/dbraw/zinc/88/25/01/853882501.db2.gz GQBRABRVGMSMGL-MNOVXSKESA-N 1 2 276.340 0.740 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070081191 854023209 /nfs/dbraw/zinc/02/32/09/854023209.db2.gz LJROAHMMAAGDQO-NEPJUHHUSA-N 1 2 275.356 0.299 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070081191 854023217 /nfs/dbraw/zinc/02/32/17/854023217.db2.gz LJROAHMMAAGDQO-NEPJUHHUSA-N 1 2 275.356 0.299 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NCC#N ZINC001070610754 854080954 /nfs/dbraw/zinc/08/09/54/854080954.db2.gz PHCKGGOMAOXEOU-CHWSQXEVSA-N 1 2 287.367 0.628 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCC#N ZINC001070651097 854085517 /nfs/dbraw/zinc/08/55/17/854085517.db2.gz GRKAXLIBTDGMHL-VXGBXAGGSA-N 1 2 287.367 0.628 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC)C1 ZINC001070899389 854099551 /nfs/dbraw/zinc/09/95/51/854099551.db2.gz WUAPRUCLYBXVDI-UPJWGTAASA-N 1 2 293.367 0.688 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC)C1 ZINC001070899389 854099553 /nfs/dbraw/zinc/09/95/53/854099553.db2.gz WUAPRUCLYBXVDI-UPJWGTAASA-N 1 2 293.367 0.688 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1CC#N ZINC001072124079 854350436 /nfs/dbraw/zinc/35/04/36/854350436.db2.gz XIUMLYKGHUPEGK-NEPJUHHUSA-N 1 2 261.329 0.376 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001073152895 854537219 /nfs/dbraw/zinc/53/72/19/854537219.db2.gz PPWZSVXWUFVXFE-UHFFFAOYSA-N 1 2 273.340 0.319 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001074718254 854770071 /nfs/dbraw/zinc/77/00/71/854770071.db2.gz DTJVIKXIBUVYFW-AVGNSLFASA-N 1 2 287.367 0.548 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098179348 854849848 /nfs/dbraw/zinc/84/98/48/854849848.db2.gz VBCPMQKTOSOFKY-MXWKQRLJSA-N 1 2 295.774 0.821 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]n1)C2 ZINC001098179348 854849854 /nfs/dbraw/zinc/84/98/54/854849854.db2.gz VBCPMQKTOSOFKY-MXWKQRLJSA-N 1 2 295.774 0.821 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccoc3)C2)nn1 ZINC001098611556 854873475 /nfs/dbraw/zinc/87/34/75/854873475.db2.gz LFDGWLQNVCLVGC-AWEZNQCLSA-N 1 2 299.334 0.681 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC)C2)nn1 ZINC001098618776 854873824 /nfs/dbraw/zinc/87/38/24/854873824.db2.gz KCZBTHFIUMBBNS-AWEZNQCLSA-N 1 2 289.383 0.965 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnns2)C1 ZINC001098743602 854880667 /nfs/dbraw/zinc/88/06/67/854880667.db2.gz GGDZVLLBQVFLIR-GWCFXTLKSA-N 1 2 276.365 0.756 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnns2)C1 ZINC001098743602 854880671 /nfs/dbraw/zinc/88/06/71/854880671.db2.gz GGDZVLLBQVFLIR-GWCFXTLKSA-N 1 2 276.365 0.756 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001099261263 854924495 /nfs/dbraw/zinc/92/44/95/854924495.db2.gz AFNLRTPAKVHXHX-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC(NCC#N)C1 ZINC001100746014 855217693 /nfs/dbraw/zinc/21/76/93/855217693.db2.gz CQVZEFVPIQOECW-UNXYVOJBSA-N 1 2 275.356 0.596 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC(NCC#N)C1 ZINC001100746014 855217699 /nfs/dbraw/zinc/21/76/99/855217699.db2.gz CQVZEFVPIQOECW-UNXYVOJBSA-N 1 2 275.356 0.596 20 30 CCEDLO CN(CCNc1ncccc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001101695133 855345360 /nfs/dbraw/zinc/34/53/60/855345360.db2.gz PPTHOGILOKIXQC-UHFFFAOYSA-N 1 2 298.350 0.800 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1cncc(C#N)n1 ZINC001104052915 855565021 /nfs/dbraw/zinc/56/50/21/855565021.db2.gz MRWDLWNJBFHZFP-JTQLQIEISA-N 1 2 299.338 0.478 20 30 CCEDLO C=CC[C@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC001116771580 855830865 /nfs/dbraw/zinc/83/08/65/855830865.db2.gz ZIJQQFPJUZBVLC-LLVKDONJSA-N 1 2 281.356 0.594 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001117786008 856078988 /nfs/dbraw/zinc/07/89/88/856078988.db2.gz DEFSLMGENKTYJM-MNOVXSKESA-N 1 2 260.297 0.196 20 30 CCEDLO COCC#CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001328162441 915007624 /nfs/dbraw/zinc/00/76/24/915007624.db2.gz OYFLODOMZMIERB-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC(N)=O ZINC001394141743 913039892 /nfs/dbraw/zinc/03/98/92/913039892.db2.gz HNAFMYAYIWQMMN-JTQLQIEISA-N 1 2 275.780 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCC(N)=O ZINC001394141743 913039904 /nfs/dbraw/zinc/03/99/04/913039904.db2.gz HNAFMYAYIWQMMN-JTQLQIEISA-N 1 2 275.780 0.831 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2nc(C)c(C)s2)C1 ZINC001325309334 913334749 /nfs/dbraw/zinc/33/47/49/913334749.db2.gz ZGDFOYCAOGTKAX-UHFFFAOYSA-N 1 2 293.392 0.560 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC001325309283 913334804 /nfs/dbraw/zinc/33/48/04/913334804.db2.gz WZCPKOGEHUJKDO-KGLIPLIRSA-N 1 2 294.395 0.520 20 30 CCEDLO C=C[C@H](COC)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325588241 913477816 /nfs/dbraw/zinc/47/78/16/913477816.db2.gz UOVLAMQPNNHFQI-CYBMUJFWSA-N 1 2 291.351 0.632 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001395162487 913571531 /nfs/dbraw/zinc/57/15/31/913571531.db2.gz VAEZFQPMOKVXPF-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001395162487 913571546 /nfs/dbraw/zinc/57/15/46/913571546.db2.gz VAEZFQPMOKVXPF-GHMZBOCLSA-N 1 2 291.355 0.465 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001353202056 892293941 /nfs/dbraw/zinc/29/39/41/892293941.db2.gz XMSUIJPQFHMVKQ-NWDGAFQWSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001481225476 892396916 /nfs/dbraw/zinc/39/69/16/892396916.db2.gz KOXHGMNOACCJRY-GWCFXTLKSA-N 1 2 298.412 0.974 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(C)C)C2)nn1 ZINC001105213823 892506799 /nfs/dbraw/zinc/50/67/99/892506799.db2.gz ONDPBCPNAFGLAM-ZDUSSCGKSA-N 1 2 287.367 0.430 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2nc[nH]n2)C1 ZINC001481407165 892618401 /nfs/dbraw/zinc/61/84/01/892618401.db2.gz PWRNLRXIEWICRW-LLVKDONJSA-N 1 2 261.329 0.364 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nc[nH]n2)C1 ZINC001481407165 892618404 /nfs/dbraw/zinc/61/84/04/892618404.db2.gz PWRNLRXIEWICRW-LLVKDONJSA-N 1 2 261.329 0.364 20 30 CCEDLO COc1ccnc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001481618067 892910449 /nfs/dbraw/zinc/91/04/49/892910449.db2.gz YEAFMPZXVRDVMO-NSHDSACASA-N 1 2 288.351 0.798 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481687552 893009974 /nfs/dbraw/zinc/00/99/74/893009974.db2.gz MIJKYDLXZHHGFV-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481687552 893009991 /nfs/dbraw/zinc/00/99/91/893009991.db2.gz MIJKYDLXZHHGFV-NEPJUHHUSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCCC)C1 ZINC001481698814 893035377 /nfs/dbraw/zinc/03/53/77/893035377.db2.gz PDDYAPZDPXANGI-GFCCVEGCSA-N 1 2 297.424 0.070 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCCC)C1 ZINC001481698814 893035398 /nfs/dbraw/zinc/03/53/98/893035398.db2.gz PDDYAPZDPXANGI-GFCCVEGCSA-N 1 2 297.424 0.070 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001481724860 893097909 /nfs/dbraw/zinc/09/79/09/893097909.db2.gz SGZNJUMOUXLCTN-AWEZNQCLSA-N 1 2 291.395 0.481 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001481724860 893097929 /nfs/dbraw/zinc/09/79/29/893097929.db2.gz SGZNJUMOUXLCTN-AWEZNQCLSA-N 1 2 291.395 0.481 20 30 CCEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001481766529 893129772 /nfs/dbraw/zinc/12/97/72/893129772.db2.gz LLFSDXSKNNMIPJ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001481766529 893129777 /nfs/dbraw/zinc/12/97/77/893129777.db2.gz LLFSDXSKNNMIPJ-ZDUSSCGKSA-N 1 2 277.368 0.069 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)N[C@H](C)C1CC1 ZINC001496679549 893467819 /nfs/dbraw/zinc/46/78/19/893467819.db2.gz LRTFYXNTQNOFFS-VXGBXAGGSA-N 1 2 294.399 0.451 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)N[C@H](C)C1CC1 ZINC001496679549 893467818 /nfs/dbraw/zinc/46/78/18/893467818.db2.gz LRTFYXNTQNOFFS-VXGBXAGGSA-N 1 2 294.399 0.451 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001482277729 893748168 /nfs/dbraw/zinc/74/81/68/893748168.db2.gz MKNIXTVMHYJFBP-QMTHXVAHSA-N 1 2 296.371 0.642 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001483333065 895470581 /nfs/dbraw/zinc/47/05/81/895470581.db2.gz JJZKVZNLNNKIEH-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001483333065 895470587 /nfs/dbraw/zinc/47/05/87/895470587.db2.gz JJZKVZNLNNKIEH-VIFPVBQESA-N 1 2 271.752 0.618 20 30 CCEDLO Cc1cnc(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)cn1 ZINC001409831899 895728092 /nfs/dbraw/zinc/72/80/92/895728092.db2.gz FNFTUWZWWSSWNU-ZYHUDNBSSA-N 1 2 287.367 0.881 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001483631251 895751703 /nfs/dbraw/zinc/75/17/03/895751703.db2.gz SRWRNUZERMXONX-QWHCGFSZSA-N 1 2 277.368 0.281 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001483631251 895751713 /nfs/dbraw/zinc/75/17/13/895751713.db2.gz SRWRNUZERMXONX-QWHCGFSZSA-N 1 2 277.368 0.281 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001483639454 895774733 /nfs/dbraw/zinc/77/47/33/895774733.db2.gz AVIDBUTTYUPXNS-GFCCVEGCSA-N 1 2 286.322 0.872 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001483639454 895774750 /nfs/dbraw/zinc/77/47/50/895774750.db2.gz AVIDBUTTYUPXNS-GFCCVEGCSA-N 1 2 286.322 0.872 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCNC(=O)NC)C1 ZINC001483861826 896086295 /nfs/dbraw/zinc/08/62/95/896086295.db2.gz VOKZMWCYWCJOBS-UHFFFAOYSA-N 1 2 268.361 0.024 20 30 CCEDLO C#CCN1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001483881032 896103692 /nfs/dbraw/zinc/10/36/92/896103692.db2.gz ALLMPEWXXWRIMM-GFCCVEGCSA-N 1 2 260.341 0.610 20 30 CCEDLO C=CCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001484038134 896163332 /nfs/dbraw/zinc/16/33/32/896163332.db2.gz SZXDYUXTOJNHEZ-AWEZNQCLSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001484038134 896163347 /nfs/dbraw/zinc/16/33/47/896163347.db2.gz SZXDYUXTOJNHEZ-AWEZNQCLSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001326611425 914045803 /nfs/dbraw/zinc/04/58/03/914045803.db2.gz KIKUIIPDQZCRNX-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001326611425 914045814 /nfs/dbraw/zinc/04/58/14/914045814.db2.gz KIKUIIPDQZCRNX-KBPBESRZSA-N 1 2 298.383 0.185 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001484302725 896329066 /nfs/dbraw/zinc/32/90/66/896329066.db2.gz KVPRTKDHGJQYAS-KBPBESRZSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(OC)o2)C1 ZINC001484301964 896332247 /nfs/dbraw/zinc/33/22/47/896332247.db2.gz YTLVMEGKDLMFBE-UHFFFAOYSA-N 1 2 278.308 0.088 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001484302805 896332285 /nfs/dbraw/zinc/33/22/85/896332285.db2.gz KVPRTKDHGJQYAS-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001484606265 896494871 /nfs/dbraw/zinc/49/48/71/896494871.db2.gz ZCTUOKAXZJTWBD-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001484606265 896494880 /nfs/dbraw/zinc/49/48/80/896494880.db2.gz ZCTUOKAXZJTWBD-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](CC)OC)O2 ZINC001484783909 896600395 /nfs/dbraw/zinc/60/03/95/896600395.db2.gz XGLWSCXTAPUZBH-QWHCGFSZSA-N 1 2 282.384 0.947 20 30 CCEDLO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001484798577 896611483 /nfs/dbraw/zinc/61/14/83/896611483.db2.gz MQXSJAOGIIXHKB-OLZOCXBDSA-N 1 2 294.395 0.376 20 30 CCEDLO C[C@@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001485204959 896862204 /nfs/dbraw/zinc/86/22/04/896862204.db2.gz NFSLFQXOEHKANU-WDEREUQCSA-N 1 2 298.350 0.973 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485414107 897045255 /nfs/dbraw/zinc/04/52/55/897045255.db2.gz CWBKRKNKXUZGNX-GFCCVEGCSA-N 1 2 270.373 0.134 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2oncc2C)C1 ZINC001485422217 897047503 /nfs/dbraw/zinc/04/75/03/897047503.db2.gz LKNSIOJOKGPDFI-UHFFFAOYSA-N 1 2 279.340 0.726 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC)c2)C1 ZINC001107825243 897324873 /nfs/dbraw/zinc/32/48/73/897324873.db2.gz RWEIJLMIKBHXHI-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC)c2)C1 ZINC001107825243 897324884 /nfs/dbraw/zinc/32/48/84/897324884.db2.gz RWEIJLMIKBHXHI-OAHLLOKOSA-N 1 2 292.383 0.910 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836520 897341569 /nfs/dbraw/zinc/34/15/69/897341569.db2.gz YAPWZKVDKYBDMB-OAHLLOKOSA-N 1 2 290.367 0.183 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836520 897341582 /nfs/dbraw/zinc/34/15/82/897341582.db2.gz YAPWZKVDKYBDMB-OAHLLOKOSA-N 1 2 290.367 0.183 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccn1C ZINC001032372973 897349655 /nfs/dbraw/zinc/34/96/55/897349655.db2.gz MZNXZCNUDSIAKP-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccn1C ZINC001032372973 897349666 /nfs/dbraw/zinc/34/96/66/897349666.db2.gz MZNXZCNUDSIAKP-STQMWFEESA-N 1 2 257.337 0.865 20 30 CCEDLO C[C@H](CNc1cncc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001107851381 897356334 /nfs/dbraw/zinc/35/63/34/897356334.db2.gz IUMZTDRMAFYPKL-SNVBAGLBSA-N 1 2 299.338 0.241 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sn1 ZINC001032375537 897357833 /nfs/dbraw/zinc/35/78/33/897357833.db2.gz NZQLIAJBADQLPH-QWRGUYRKSA-N 1 2 261.350 0.983 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sn1 ZINC001032375537 897357845 /nfs/dbraw/zinc/35/78/45/897357845.db2.gz NZQLIAJBADQLPH-QWRGUYRKSA-N 1 2 261.350 0.983 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)cn2)C1 ZINC001107873071 897409861 /nfs/dbraw/zinc/40/98/61/897409861.db2.gz YKEPTKJNLLHPCK-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)cn2)C1 ZINC001107873071 897409866 /nfs/dbraw/zinc/40/98/66/897409866.db2.gz YKEPTKJNLLHPCK-AWEZNQCLSA-N 1 2 278.356 0.427 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(F)F ZINC001032390797 897414758 /nfs/dbraw/zinc/41/47/58/897414758.db2.gz XSUDHYZKHJZGKG-DCAQKATOSA-N 1 2 254.280 0.950 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(F)F ZINC001032390797 897414769 /nfs/dbraw/zinc/41/47/69/897414769.db2.gz XSUDHYZKHJZGKG-DCAQKATOSA-N 1 2 254.280 0.950 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CO[C@H]1CCOC1 ZINC001032401735 897454999 /nfs/dbraw/zinc/45/49/99/897454999.db2.gz YXHYATYYMVSJGD-IHRRRGAJSA-N 1 2 278.352 0.100 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CO[C@H]1CCOC1 ZINC001032401735 897455008 /nfs/dbraw/zinc/45/50/08/897455008.db2.gz YXHYATYYMVSJGD-IHRRRGAJSA-N 1 2 278.352 0.100 20 30 CCEDLO C[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)CN(CC#N)CCO1 ZINC001107908934 897484165 /nfs/dbraw/zinc/48/41/65/897484165.db2.gz RZGIUAFSPPCIPZ-AWEZNQCLSA-N 1 2 291.355 0.073 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107916068 897492062 /nfs/dbraw/zinc/49/20/62/897492062.db2.gz BPKRTPSTBRIDTG-HIFRSBDPSA-N 1 2 282.384 0.234 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001107916068 897492074 /nfs/dbraw/zinc/49/20/74/897492074.db2.gz BPKRTPSTBRIDTG-HIFRSBDPSA-N 1 2 282.384 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc[nH]c2n1 ZINC001032468210 897607793 /nfs/dbraw/zinc/60/77/93/897607793.db2.gz NYQQNCQYXMYPPB-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc[nH]c2n1 ZINC001032468210 897607802 /nfs/dbraw/zinc/60/78/02/897607802.db2.gz NYQQNCQYXMYPPB-QWRGUYRKSA-N 1 2 281.319 0.490 20 30 CCEDLO N#CCN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910480 897611171 /nfs/dbraw/zinc/61/11/71/897611171.db2.gz AHMPKVAUFHJOKA-XQLPTFJDSA-N 1 2 299.378 0.575 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001032483813 897635739 /nfs/dbraw/zinc/63/57/39/897635739.db2.gz JXGMMDYPOQBUCH-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001032483813 897635746 /nfs/dbraw/zinc/63/57/46/897635746.db2.gz JXGMMDYPOQBUCH-RDBSUJKOSA-N 1 2 289.379 0.163 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001032515800 897684101 /nfs/dbraw/zinc/68/41/01/897684101.db2.gz QEFUQXDDADYHLO-AYDFFVQHSA-N 1 2 274.364 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001032515800 897684112 /nfs/dbraw/zinc/68/41/12/897684112.db2.gz QEFUQXDDADYHLO-AYDFFVQHSA-N 1 2 274.364 0.864 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 ZINC001032540060 897720657 /nfs/dbraw/zinc/72/06/57/897720657.db2.gz PDBPPESJHQNUEV-RYUDHWBXSA-N 1 2 287.319 0.301 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 ZINC001032540060 897720672 /nfs/dbraw/zinc/72/06/72/897720672.db2.gz PDBPPESJHQNUEV-RYUDHWBXSA-N 1 2 287.319 0.301 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001032562188 897749839 /nfs/dbraw/zinc/74/98/39/897749839.db2.gz MKLHYUHVUZXOKD-RWMBFGLXSA-N 1 2 291.395 0.762 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032562188 897749845 /nfs/dbraw/zinc/74/98/45/897749845.db2.gz MKLHYUHVUZXOKD-RWMBFGLXSA-N 1 2 291.395 0.762 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001032640007 897878970 /nfs/dbraw/zinc/87/89/70/897878970.db2.gz ZTSOQILZXOJXLO-ZQDZILKHSA-N 1 2 284.363 0.442 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001032640007 897878980 /nfs/dbraw/zinc/87/89/80/897878980.db2.gz ZTSOQILZXOJXLO-ZQDZILKHSA-N 1 2 284.363 0.442 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)n1 ZINC001032663918 897911733 /nfs/dbraw/zinc/91/17/33/897911733.db2.gz ITLHKQALFDKKSC-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)n1 ZINC001032663918 897911744 /nfs/dbraw/zinc/91/17/44/897911744.db2.gz ITLHKQALFDKKSC-RYUDHWBXSA-N 1 2 258.325 0.435 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCCOC1 ZINC001032703447 897943136 /nfs/dbraw/zinc/94/31/36/897943136.db2.gz VEDQKZIUUFZOEB-YDHLFZDLSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCCOC1 ZINC001032703447 897943146 /nfs/dbraw/zinc/94/31/46/897943146.db2.gz VEDQKZIUUFZOEB-YDHLFZDLSA-N 1 2 262.353 0.721 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001077892624 897998835 /nfs/dbraw/zinc/99/88/35/897998835.db2.gz BJBBONCZHBGQJA-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001077892624 897998848 /nfs/dbraw/zinc/99/88/48/897998848.db2.gz BJBBONCZHBGQJA-ZIAGYGMSSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077935686 898076984 /nfs/dbraw/zinc/07/69/84/898076984.db2.gz DZYLRMUHNROFDN-VXGBXAGGSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001077935686 898076992 /nfs/dbraw/zinc/07/69/92/898076992.db2.gz DZYLRMUHNROFDN-VXGBXAGGSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001077945712 898093397 /nfs/dbraw/zinc/09/33/97/898093397.db2.gz QWYJZSKMFFVQCC-VXGBXAGGSA-N 1 2 268.332 0.453 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001077945712 898093413 /nfs/dbraw/zinc/09/34/13/898093413.db2.gz QWYJZSKMFFVQCC-VXGBXAGGSA-N 1 2 268.332 0.453 20 30 CCEDLO C[C@H](CCNCC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272874215 898100941 /nfs/dbraw/zinc/10/09/41/898100941.db2.gz SHNUUKVYLZLNEB-NEPJUHHUSA-N 1 2 275.356 0.453 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nonc1C ZINC001272909334 898153579 /nfs/dbraw/zinc/15/35/79/898153579.db2.gz LTQYVXJLXBDSNR-LBPRGKRZSA-N 1 2 294.355 0.775 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nonc1C ZINC001272909334 898153587 /nfs/dbraw/zinc/15/35/87/898153587.db2.gz LTQYVXJLXBDSNR-LBPRGKRZSA-N 1 2 294.355 0.775 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc(Cl)cn1 ZINC001032800027 898369501 /nfs/dbraw/zinc/36/95/01/898369501.db2.gz QWVIEOMUMPRRGP-STQMWFEESA-N 1 2 292.770 0.845 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc(Cl)cn1 ZINC001032800027 898369515 /nfs/dbraw/zinc/36/95/15/898369515.db2.gz QWVIEOMUMPRRGP-STQMWFEESA-N 1 2 292.770 0.845 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N ZINC001410605373 899492281 /nfs/dbraw/zinc/49/22/81/899492281.db2.gz JADAWUXRBOHZDP-MWLCHTKSSA-N 1 2 289.339 0.137 20 30 CCEDLO CN(CC#N)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001490220596 900568418 /nfs/dbraw/zinc/56/84/18/900568418.db2.gz ZZIQLZODXOLNKA-LBPRGKRZSA-N 1 2 275.356 0.407 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001490434492 900630235 /nfs/dbraw/zinc/63/02/35/900630235.db2.gz CIHRKJVZBASVCE-GFCCVEGCSA-N 1 2 265.357 0.117 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001490434492 900630241 /nfs/dbraw/zinc/63/02/41/900630241.db2.gz CIHRKJVZBASVCE-GFCCVEGCSA-N 1 2 265.357 0.117 20 30 CCEDLO CC(C)(C)C#CC(=O)NCCN1CC[NH+](CCF)CC1 ZINC001490492465 900641493 /nfs/dbraw/zinc/64/14/93/900641493.db2.gz MIVHPSXYXCZUNA-UHFFFAOYSA-N 1 2 283.391 0.739 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCCC)C1 ZINC001490537991 900652998 /nfs/dbraw/zinc/65/29/98/900652998.db2.gz SEPZGTFUBCZWIL-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCCC)C1 ZINC001490537991 900653000 /nfs/dbraw/zinc/65/30/00/900653000.db2.gz SEPZGTFUBCZWIL-CQSZACIVSA-N 1 2 293.411 0.897 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001327301332 914470516 /nfs/dbraw/zinc/47/05/16/914470516.db2.gz UBRAKKAGRJYCKB-NEPJUHHUSA-N 1 2 290.367 0.785 20 30 CCEDLO N#Cc1cccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)n1 ZINC001275605437 901147813 /nfs/dbraw/zinc/14/78/13/901147813.db2.gz KFHBFKOCJKXSTM-UHFFFAOYSA-N 1 2 294.362 0.994 20 30 CCEDLO N#Cc1cnccc1NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001412880603 902326431 /nfs/dbraw/zinc/32/64/31/902326431.db2.gz NTOBXIQZRYXBTL-CQSZACIVSA-N 1 2 286.335 0.567 20 30 CCEDLO C#CCCCC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001491012343 903291556 /nfs/dbraw/zinc/29/15/56/903291556.db2.gz AMGXCTKPPWPTBP-UHFFFAOYSA-N 1 2 288.351 0.357 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cnoc1 ZINC001316607060 904168646 /nfs/dbraw/zinc/16/86/46/904168646.db2.gz QOZFSVLALXGMKJ-AWEZNQCLSA-N 1 2 291.351 0.400 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cnoc1 ZINC001316607060 904168651 /nfs/dbraw/zinc/16/86/51/904168651.db2.gz QOZFSVLALXGMKJ-AWEZNQCLSA-N 1 2 291.351 0.400 20 30 CCEDLO C[C@@H]([NH2+]Cc1csnn1)[C@H](C)NC(=O)CSCC#N ZINC001282099125 904411387 /nfs/dbraw/zinc/41/13/87/904411387.db2.gz ZJJISYYSICXXQJ-BDAKNGLRSA-N 1 2 299.425 0.778 20 30 CCEDLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CN(CC#N)C1 ZINC001282725416 904529485 /nfs/dbraw/zinc/52/94/85/904529485.db2.gz OWDZDCHSSORYSC-LLVKDONJSA-N 1 2 275.356 0.313 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCCNC(=O)CCc1[nH+]ccn1C ZINC001283311171 904801283 /nfs/dbraw/zinc/80/12/83/904801283.db2.gz FUBGPQZJBNOIBW-NSHDSACASA-N 1 2 291.355 0.135 20 30 CCEDLO CNC(=O)C[N@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001284530578 905361925 /nfs/dbraw/zinc/36/19/25/905361925.db2.gz VHYBNDXCBYRFTP-NSHDSACASA-N 1 2 268.361 0.061 20 30 CCEDLO CNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001284530578 905361945 /nfs/dbraw/zinc/36/19/45/905361945.db2.gz VHYBNDXCBYRFTP-NSHDSACASA-N 1 2 268.361 0.061 20 30 CCEDLO CC(C)(C)[C@H](CNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001284614440 905399008 /nfs/dbraw/zinc/39/90/08/905399008.db2.gz QXAZAESIJZLYMU-LBPRGKRZSA-N 1 2 277.372 0.917 20 30 CCEDLO C=CC(C)(C)C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284930006 905491216 /nfs/dbraw/zinc/49/12/16/905491216.db2.gz HRYCAQAYEVNNGK-UHFFFAOYSA-N 1 2 276.340 0.491 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001293008739 906385788 /nfs/dbraw/zinc/38/57/88/906385788.db2.gz DMCYGOOMYAZZPW-OLZOCXBDSA-N 1 2 292.383 0.964 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001297293732 907051882 /nfs/dbraw/zinc/05/18/82/907051882.db2.gz MFUVHOVMAVSYNV-CYBMUJFWSA-N 1 2 298.383 0.675 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001299079656 907379606 /nfs/dbraw/zinc/37/96/06/907379606.db2.gz HLBAWGJKRYVWEP-LBPRGKRZSA-N 1 2 290.367 0.812 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCCCN1CC#N ZINC001317171824 907402070 /nfs/dbraw/zinc/40/20/70/907402070.db2.gz BOSYOAVTXVULGY-ZDUSSCGKSA-N 1 2 289.383 0.847 20 30 CCEDLO Cc1ccsc1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001492184164 907736755 /nfs/dbraw/zinc/73/67/55/907736755.db2.gz QXQJEDBVZYSMEM-UHFFFAOYSA-N 1 2 294.380 0.358 20 30 CCEDLO Cc1ccsc1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001492184164 907736759 /nfs/dbraw/zinc/73/67/59/907736759.db2.gz QXQJEDBVZYSMEM-UHFFFAOYSA-N 1 2 294.380 0.358 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001492138975 907740049 /nfs/dbraw/zinc/74/00/49/907740049.db2.gz UCHTXSZBFZMSSY-JTQLQIEISA-N 1 2 289.339 0.219 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001317474825 908407738 /nfs/dbraw/zinc/40/77/38/908407738.db2.gz OJPBIDNWCQAQTO-HNNXBMFYSA-N 1 2 294.399 0.685 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001317474825 908407742 /nfs/dbraw/zinc/40/77/42/908407742.db2.gz OJPBIDNWCQAQTO-HNNXBMFYSA-N 1 2 294.399 0.685 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001317523364 908589767 /nfs/dbraw/zinc/58/97/67/908589767.db2.gz QKCNJGIHZOKJSW-CYBMUJFWSA-N 1 2 289.383 0.413 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001317523364 908589780 /nfs/dbraw/zinc/58/97/80/908589780.db2.gz QKCNJGIHZOKJSW-CYBMUJFWSA-N 1 2 289.383 0.413 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC001312707758 908619613 /nfs/dbraw/zinc/61/96/13/908619613.db2.gz HLACOJDCCYFTEC-NEPJUHHUSA-N 1 2 264.329 0.605 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001316974871 908711668 /nfs/dbraw/zinc/71/16/68/908711668.db2.gz GVEQNMFJDGULJS-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001316974871 908711675 /nfs/dbraw/zinc/71/16/75/908711675.db2.gz GVEQNMFJDGULJS-NSHDSACASA-N 1 2 293.323 0.137 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001386458806 908750296 /nfs/dbraw/zinc/75/02/96/908750296.db2.gz STWFOCWUTCALEG-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO COCC#CC[NH+]1CCN(CCNC(=O)C2(C)CC2)CC1 ZINC001316963027 908875689 /nfs/dbraw/zinc/87/56/89/908875689.db2.gz JLSKSIURSFACLF-UHFFFAOYSA-N 1 2 293.411 0.170 20 30 CCEDLO COCC#CCN1CC[NH+](CCNC(=O)C2(C)CC2)CC1 ZINC001316963027 908875707 /nfs/dbraw/zinc/87/57/07/908875707.db2.gz JLSKSIURSFACLF-UHFFFAOYSA-N 1 2 293.411 0.170 20 30 CCEDLO N#CCN[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317017129 908922934 /nfs/dbraw/zinc/92/29/34/908922934.db2.gz ASYOTBFGKXTTEH-OCCSQVGLSA-N 1 2 287.367 0.453 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1ccc(C)o1 ZINC001317441974 909211064 /nfs/dbraw/zinc/21/10/64/909211064.db2.gz CYIDWAINFHIPST-UHFFFAOYSA-N 1 2 293.367 0.481 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1ccc(C)o1 ZINC001317441974 909211072 /nfs/dbraw/zinc/21/10/72/909211072.db2.gz CYIDWAINFHIPST-UHFFFAOYSA-N 1 2 293.367 0.481 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1ccc(C#N)nc1 ZINC001387817010 909272194 /nfs/dbraw/zinc/27/21/94/909272194.db2.gz RPIBKWONHHKBDQ-UHFFFAOYSA-N 1 2 298.350 0.780 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cc[nH+]c1 ZINC001388176794 909404517 /nfs/dbraw/zinc/40/45/17/909404517.db2.gz UBRBDJIWRPRBOY-WDEREUQCSA-N 1 2 277.328 0.054 20 30 CCEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001318146187 909640868 /nfs/dbraw/zinc/64/08/68/909640868.db2.gz PIRPNVKTPHQAIY-CYBMUJFWSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001318166105 909650668 /nfs/dbraw/zinc/65/06/68/909650668.db2.gz YJKZPFWZROSLIJ-KGLIPLIRSA-N 1 2 293.411 0.629 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001318421266 909749562 /nfs/dbraw/zinc/74/95/62/909749562.db2.gz DNGFIFOIUSMTAU-RYUDHWBXSA-N 1 2 283.347 0.017 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001318421266 909749573 /nfs/dbraw/zinc/74/95/73/909749573.db2.gz DNGFIFOIUSMTAU-RYUDHWBXSA-N 1 2 283.347 0.017 20 30 CCEDLO CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)NCC#N ZINC001318541452 909807989 /nfs/dbraw/zinc/80/79/89/909807989.db2.gz NLJOJWHXCAZVOQ-GFCCVEGCSA-N 1 2 277.372 0.935 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)n2cccn2)C1 ZINC001319295002 910077091 /nfs/dbraw/zinc/07/70/91/910077091.db2.gz IHVJMJDLIKWFGE-STQMWFEESA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)n2cccn2)C1 ZINC001319295002 910077107 /nfs/dbraw/zinc/07/71/07/910077107.db2.gz IHVJMJDLIKWFGE-STQMWFEESA-N 1 2 278.356 0.447 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001319331622 910100636 /nfs/dbraw/zinc/10/06/36/910100636.db2.gz ZTYBKBWZNVINFP-KBPBESRZSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001319331622 910100642 /nfs/dbraw/zinc/10/06/42/910100642.db2.gz ZTYBKBWZNVINFP-KBPBESRZSA-N 1 2 292.383 0.837 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001319545725 910194489 /nfs/dbraw/zinc/19/44/89/910194489.db2.gz QDVLZJWYGHMJFB-AWEZNQCLSA-N 1 2 292.427 0.677 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001390954162 910781444 /nfs/dbraw/zinc/78/14/44/910781444.db2.gz JXXMFGDYLQGSDG-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001390954162 910781457 /nfs/dbraw/zinc/78/14/57/910781457.db2.gz JXXMFGDYLQGSDG-LLVKDONJSA-N 1 2 287.791 0.798 20 30 CCEDLO CCN(CC[NH2+]Cc1ncccn1)C(=O)CSCC#N ZINC001320684284 910799733 /nfs/dbraw/zinc/79/97/33/910799733.db2.gz YJZFQXNRFHAQMC-UHFFFAOYSA-N 1 2 293.396 0.671 20 30 CCEDLO CCC(CC)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001391477818 911167106 /nfs/dbraw/zinc/16/71/06/911167106.db2.gz RFJFPJXHCLKUFR-LLVKDONJSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)CSCC#N ZINC001321464734 911316515 /nfs/dbraw/zinc/31/65/15/911316515.db2.gz UWHAJGBAKYJKGF-BDAKNGLRSA-N 1 2 299.425 0.950 20 30 CCEDLO N#CCC1(CNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001321528275 911351216 /nfs/dbraw/zinc/35/12/16/911351216.db2.gz DAFYJMOWNFAUCB-UHFFFAOYSA-N 1 2 289.339 0.199 20 30 CCEDLO CC#CCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001321965634 911595228 /nfs/dbraw/zinc/59/52/28/911595228.db2.gz BQPHIBHJSDOMTK-UHFFFAOYSA-N 1 2 276.340 0.309 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NC1CCCC1 ZINC001392266486 911678894 /nfs/dbraw/zinc/67/88/94/911678894.db2.gz TYLBQTXCOUZCSL-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CCCC1 ZINC001392266486 911678898 /nfs/dbraw/zinc/67/88/98/911678898.db2.gz TYLBQTXCOUZCSL-GFCCVEGCSA-N 1 2 294.399 0.595 20 30 CCEDLO C#CC[NH2+]CCCN(C)C(=O)C(F)C(F)(F)F ZINC001322517698 911839985 /nfs/dbraw/zinc/83/99/85/911839985.db2.gz SEDGYLFMUDTWDK-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[NH2+]CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001322517698 911840005 /nfs/dbraw/zinc/84/00/05/911840005.db2.gz SEDGYLFMUDTWDK-QMMMGPOBSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001328442850 915196115 /nfs/dbraw/zinc/19/61/15/915196115.db2.gz DKFPALLWYWPEEZ-UHFFFAOYSA-N 1 2 286.335 0.097 20 30 CCEDLO C#CC[NH+]1CCC(CO)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001328531020 915257121 /nfs/dbraw/zinc/25/71/21/915257121.db2.gz UOIKISXIIIYQJC-SECBINFHSA-N 1 2 296.264 0.463 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)NC(C)=O ZINC001399703129 915334498 /nfs/dbraw/zinc/33/44/98/915334498.db2.gz YTZHNHSFVISIHY-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)NC(C)=O ZINC001399703129 915334518 /nfs/dbraw/zinc/33/45/18/915334518.db2.gz YTZHNHSFVISIHY-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399877566 915415151 /nfs/dbraw/zinc/41/51/51/915415151.db2.gz YWYNCFLKBFTARB-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399877566 915415169 /nfs/dbraw/zinc/41/51/69/915415169.db2.gz YWYNCFLKBFTARB-RISCZKNCSA-N 1 2 299.802 0.988 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)CNCC#N ZINC001329356672 915837008 /nfs/dbraw/zinc/83/70/08/915837008.db2.gz OUEQJSMIGLRTEC-UHFFFAOYSA-N 1 2 277.372 0.858 20 30 CCEDLO CNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC001330012185 916354072 /nfs/dbraw/zinc/35/40/72/916354072.db2.gz GQFDWHNUAIRTSM-UHFFFAOYSA-N 1 2 264.354 0.973 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)o1 ZINC001401620569 916396542 /nfs/dbraw/zinc/39/65/42/916396542.db2.gz YUWCOGNVUZCYGC-MRVPVSSYSA-N 1 2 288.311 0.486 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)COC)C2)C1 ZINC001330159958 916443167 /nfs/dbraw/zinc/44/31/67/916443167.db2.gz KELFMFCRNQOFCR-MRXNPFEDSA-N 1 2 294.395 0.596 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)COC)C2)C1 ZINC001330159958 916443183 /nfs/dbraw/zinc/44/31/83/916443183.db2.gz KELFMFCRNQOFCR-MRXNPFEDSA-N 1 2 294.395 0.596 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H](F)CC)C(C)(C)C1 ZINC001330220234 916487281 /nfs/dbraw/zinc/48/72/81/916487281.db2.gz GMHMUAKBACSTCP-RYUDHWBXSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H](F)CC)C(C)(C)C1 ZINC001330220234 916487294 /nfs/dbraw/zinc/48/72/94/916487294.db2.gz GMHMUAKBACSTCP-RYUDHWBXSA-N 1 2 299.390 0.863 20 30 CCEDLO C=C(Cl)CN1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001402529734 917078730 /nfs/dbraw/zinc/07/87/30/917078730.db2.gz WEVAFFBEVDOKQF-GFCCVEGCSA-N 1 2 298.774 0.453 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111292 917494382 /nfs/dbraw/zinc/49/43/82/917494382.db2.gz UIDWEYLJLKBRAE-NEPJUHHUSA-N 1 2 289.383 0.925 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001403111292 917494395 /nfs/dbraw/zinc/49/43/95/917494395.db2.gz UIDWEYLJLKBRAE-NEPJUHHUSA-N 1 2 289.383 0.925 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001331699330 917524818 /nfs/dbraw/zinc/52/48/18/917524818.db2.gz BMHZJRLOLHHXOY-GWCFXTLKSA-N 1 2 276.340 0.290 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001331699330 917524824 /nfs/dbraw/zinc/52/48/24/917524824.db2.gz BMHZJRLOLHHXOY-GWCFXTLKSA-N 1 2 276.340 0.290 20 30 CCEDLO C#CCC1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001331911475 917709887 /nfs/dbraw/zinc/70/98/87/917709887.db2.gz OXOSADQECWUPBE-UHFFFAOYSA-N 1 2 261.325 0.719 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404412524 918340492 /nfs/dbraw/zinc/34/04/92/918340492.db2.gz MWIGAQFLWGBVEO-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO CCCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404412524 918340509 /nfs/dbraw/zinc/34/05/09/918340509.db2.gz MWIGAQFLWGBVEO-NEPJUHHUSA-N 1 2 280.372 0.205 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001404686501 918429240 /nfs/dbraw/zinc/42/92/40/918429240.db2.gz YIKROAYJCLHXFT-VHSXEESVSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001404698800 918431108 /nfs/dbraw/zinc/43/11/08/918431108.db2.gz AOBXDCPCXKYWFX-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404698800 918431117 /nfs/dbraw/zinc/43/11/17/918431117.db2.gz AOBXDCPCXKYWFX-PWSUYJOCSA-N 1 2 278.356 0.005 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001405048140 918578581 /nfs/dbraw/zinc/57/85/81/918578581.db2.gz XYNZXXVTNQFLGE-WDEREUQCSA-N 1 2 276.344 0.148 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001405048140 918578593 /nfs/dbraw/zinc/57/85/93/918578593.db2.gz XYNZXXVTNQFLGE-WDEREUQCSA-N 1 2 276.344 0.148 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001333279672 918772015 /nfs/dbraw/zinc/77/20/15/918772015.db2.gz NLCRDKMJQZJYSL-MOLYVOAJSA-N 1 2 280.368 0.841 20 30 CCEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001333499631 918951108 /nfs/dbraw/zinc/95/11/08/918951108.db2.gz ZADIYXIHGDFWPM-OKILXGFUSA-N 1 2 291.395 0.860 20 30 CCEDLO CC#CCN(C)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001334018248 919320054 /nfs/dbraw/zinc/32/00/54/919320054.db2.gz TYUYAGAYVUDHJB-UHFFFAOYSA-N 1 2 292.387 0.243 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1csnn1)C1CC1 ZINC001406744337 919450952 /nfs/dbraw/zinc/45/09/52/919450952.db2.gz BBPGCRURLXIUNA-KWQFWETISA-N 1 2 279.369 0.682 20 30 CCEDLO C=CCCN(C)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001334474136 919612873 /nfs/dbraw/zinc/61/28/73/919612873.db2.gz SKIUILAVDCOTRZ-UHFFFAOYSA-N 1 2 294.403 0.796 20 30 CCEDLO COC1(OC)CCOC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC001336200389 920653094 /nfs/dbraw/zinc/65/30/94/920653094.db2.gz PPEUFGUMAWLJGP-NEPJUHHUSA-N 1 2 267.329 0.798 20 30 CCEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H](C)C#N ZINC001415401519 920695185 /nfs/dbraw/zinc/69/51/85/920695185.db2.gz HVTYHNDRKWJLHF-WDEREUQCSA-N 1 2 277.328 0.054 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001415401516 920696387 /nfs/dbraw/zinc/69/63/87/920696387.db2.gz HVTYHNDRKWJLHF-GHMZBOCLSA-N 1 2 277.328 0.054 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC001341077778 922339538 /nfs/dbraw/zinc/33/95/38/922339538.db2.gz QEQLXSYEHZMSSM-AWEZNQCLSA-N 1 2 279.340 0.246 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC001341077778 922339550 /nfs/dbraw/zinc/33/95/50/922339550.db2.gz QEQLXSYEHZMSSM-AWEZNQCLSA-N 1 2 279.340 0.246 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC=CCC1 ZINC001342061736 922785605 /nfs/dbraw/zinc/78/56/05/922785605.db2.gz KYYQPAYVZNZRLU-OLZOCXBDSA-N 1 2 289.383 0.968 20 30 CCEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC=CCC1 ZINC001342061736 922785618 /nfs/dbraw/zinc/78/56/18/922785618.db2.gz KYYQPAYVZNZRLU-OLZOCXBDSA-N 1 2 289.383 0.968 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001419648534 922969096 /nfs/dbraw/zinc/96/90/96/922969096.db2.gz LFKCLDVLPLLXIW-ZJUUUORDSA-N 1 2 294.359 0.232 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nncn1C ZINC001420577207 923795651 /nfs/dbraw/zinc/79/56/51/923795651.db2.gz ICLIDQZQLNOLMD-VXGBXAGGSA-N 1 2 292.387 0.864 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nncn1C ZINC001420577207 923795664 /nfs/dbraw/zinc/79/56/64/923795664.db2.gz ICLIDQZQLNOLMD-VXGBXAGGSA-N 1 2 292.387 0.864 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001420659407 923860496 /nfs/dbraw/zinc/86/04/96/923860496.db2.gz RKPKQCFKCYBSQG-JTQLQIEISA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001420659407 923860507 /nfs/dbraw/zinc/86/05/07/923860507.db2.gz RKPKQCFKCYBSQG-JTQLQIEISA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001421134631 924171232 /nfs/dbraw/zinc/17/12/32/924171232.db2.gz CHVJLHKRVFVQAA-UHFFFAOYSA-N 1 2 299.802 0.655 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346438401 924212830 /nfs/dbraw/zinc/21/28/30/924212830.db2.gz WEVVPKYQLFCBQO-KBPBESRZSA-N 1 2 280.416 0.723 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CCCC)CC1 ZINC001479926138 924838070 /nfs/dbraw/zinc/83/80/70/924838070.db2.gz JIFRRVNXTQQDLP-UHFFFAOYSA-N 1 2 251.374 0.544 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC(O)(COCCO)CC1 ZINC001350086742 925128459 /nfs/dbraw/zinc/12/84/59/925128459.db2.gz UZMGCFHFOPTEPT-UHFFFAOYSA-N 1 2 291.351 0.289 20 30 CCEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001351442996 925420234 /nfs/dbraw/zinc/42/02/34/925420234.db2.gz SGSKBQOMCODOMG-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001351442996 925420242 /nfs/dbraw/zinc/42/02/42/925420242.db2.gz SGSKBQOMCODOMG-VXGBXAGGSA-N 1 2 286.397 0.188 20 30 CCEDLO C#C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CCOCC1 ZINC001352442718 925577571 /nfs/dbraw/zinc/57/75/71/925577571.db2.gz CYKHBUMMDCXTAR-CYBMUJFWSA-N 1 2 275.352 0.897 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1[nH+]ccn1C ZINC001352879619 925664461 /nfs/dbraw/zinc/66/44/61/925664461.db2.gz ZSLKULYZMPMHPB-GFCCVEGCSA-N 1 2 278.356 0.550 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001354380047 926097878 /nfs/dbraw/zinc/09/78/78/926097878.db2.gz RLOQLNMFPCFNDK-LLVKDONJSA-N 1 2 288.351 0.377 20 30 CCEDLO C[C@H](CNC(=O)C#CC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001354380047 926097887 /nfs/dbraw/zinc/09/78/87/926097887.db2.gz RLOQLNMFPCFNDK-LLVKDONJSA-N 1 2 288.351 0.377 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001357020640 926477107 /nfs/dbraw/zinc/47/71/07/926477107.db2.gz FESNXCUASHPTIR-ZDUSSCGKSA-N 1 2 290.367 0.411 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ccon2)C1 ZINC001421342600 926686189 /nfs/dbraw/zinc/68/61/89/926686189.db2.gz YTCSQJFEFJJYPT-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccon2)C1 ZINC001421342600 926686197 /nfs/dbraw/zinc/68/61/97/926686197.db2.gz YTCSQJFEFJJYPT-LBPRGKRZSA-N 1 2 285.731 0.594 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cnn(C)n1 ZINC001421838374 926935546 /nfs/dbraw/zinc/93/55/46/926935546.db2.gz JDXXILWQNYFWLX-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1cnn(C)n1 ZINC001421838374 926935554 /nfs/dbraw/zinc/93/55/54/926935554.db2.gz JDXXILWQNYFWLX-NSHDSACASA-N 1 2 278.360 0.255 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001421959191 927012664 /nfs/dbraw/zinc/01/26/64/927012664.db2.gz CZQQWRCXCIKIOM-VXGBXAGGSA-N 1 2 272.370 0.162 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001421959191 927012677 /nfs/dbraw/zinc/01/26/77/927012677.db2.gz CZQQWRCXCIKIOM-VXGBXAGGSA-N 1 2 272.370 0.162 20 30 CCEDLO CCCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001422790820 927516402 /nfs/dbraw/zinc/51/64/02/927516402.db2.gz CVCNQZXUYDWCCT-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO CCCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001422790820 927516412 /nfs/dbraw/zinc/51/64/12/927516412.db2.gz CVCNQZXUYDWCCT-NEPJUHHUSA-N 1 2 294.399 0.499 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001422979068 927615395 /nfs/dbraw/zinc/61/53/95/927615395.db2.gz AHQQKANHNKZXBQ-BXKDBHETSA-N 1 2 291.355 0.864 20 30 CCEDLO Cn1ncc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001423195393 927730303 /nfs/dbraw/zinc/73/03/03/927730303.db2.gz PFQZEHFQSFNSQO-UHFFFAOYSA-N 1 2 299.338 0.067 20 30 CCEDLO C[C@H](CC#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362547058 928161787 /nfs/dbraw/zinc/16/17/87/928161787.db2.gz ZRYZCSVYCLNWLP-PWSUYJOCSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@@H](CC#N)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362547055 928162009 /nfs/dbraw/zinc/16/20/09/928162009.db2.gz ZRYZCSVYCLNWLP-JQWIXIFHSA-N 1 2 279.340 0.432 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001443989354 929760986 /nfs/dbraw/zinc/76/09/86/929760986.db2.gz FZSZMWBDTKSTOV-GHMZBOCLSA-N 1 2 277.328 0.006 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001373395077 930171957 /nfs/dbraw/zinc/17/19/57/930171957.db2.gz GNAZAZGZPKNHDI-JTQLQIEISA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001373395077 930171964 /nfs/dbraw/zinc/17/19/64/930171964.db2.gz GNAZAZGZPKNHDI-JTQLQIEISA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 ZINC001447701707 930685079 /nfs/dbraw/zinc/68/50/79/930685079.db2.gz GCCRHCWUPSHIBQ-UHFFFAOYSA-N 1 2 298.774 0.719 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001448346203 930876861 /nfs/dbraw/zinc/87/68/61/930876861.db2.gz TVHVYHMVYOCUES-PWSUYJOCSA-N 1 2 299.802 0.844 20 30 CCEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cnsn1 ZINC001376720043 931244168 /nfs/dbraw/zinc/24/41/68/931244168.db2.gz ZIKCRJGWDOYDCX-MRVPVSSYSA-N 1 2 290.352 0.646 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cnccc1C#N ZINC000091735205 349473780 /nfs/dbraw/zinc/47/37/80/349473780.db2.gz FMGNMZDLJSLFAI-ZDUSSCGKSA-N 1 2 276.340 0.083 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000599688800 361788110 /nfs/dbraw/zinc/78/81/10/361788110.db2.gz BHORRGUCKQXZFE-NSHDSACASA-N 1 2 271.386 0.551 20 30 CCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000599688800 361788113 /nfs/dbraw/zinc/78/81/13/361788113.db2.gz BHORRGUCKQXZFE-NSHDSACASA-N 1 2 271.386 0.551 20 30 CCEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599689294 361788548 /nfs/dbraw/zinc/78/85/48/361788548.db2.gz IQTRTTXNZSRJTH-ZDUSSCGKSA-N 1 2 292.383 0.539 20 30 CCEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599689294 361788554 /nfs/dbraw/zinc/78/85/54/361788554.db2.gz IQTRTTXNZSRJTH-ZDUSSCGKSA-N 1 2 292.383 0.539 20 30 CCEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCC#N ZINC000600234180 361898138 /nfs/dbraw/zinc/89/81/38/361898138.db2.gz TVIXFAONUYXKCP-HNNXBMFYSA-N 1 2 295.383 0.412 20 30 CCEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCC#N ZINC000600234180 361898142 /nfs/dbraw/zinc/89/81/42/361898142.db2.gz TVIXFAONUYXKCP-HNNXBMFYSA-N 1 2 295.383 0.412 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600422116 361957169 /nfs/dbraw/zinc/95/71/69/361957169.db2.gz RGHFGSPSTMTKIN-DOMZBBRYSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600422116 361957172 /nfs/dbraw/zinc/95/71/72/361957172.db2.gz RGHFGSPSTMTKIN-DOMZBBRYSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600422118 361957625 /nfs/dbraw/zinc/95/76/25/361957625.db2.gz RGHFGSPSTMTKIN-SWLSCSKDSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600422118 361957628 /nfs/dbraw/zinc/95/76/28/361957628.db2.gz RGHFGSPSTMTKIN-SWLSCSKDSA-N 1 2 277.368 0.907 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000600422139 361957639 /nfs/dbraw/zinc/95/76/39/361957639.db2.gz RRRAIFRKRMIMMQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000600422139 361957644 /nfs/dbraw/zinc/95/76/44/361957644.db2.gz RRRAIFRKRMIMMQ-OAHLLOKOSA-N 1 2 287.363 0.938 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC000600825077 362072361 /nfs/dbraw/zinc/07/23/61/362072361.db2.gz HTWUMQOQLXTKTF-ZETCQYMHSA-N 1 2 258.285 0.552 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601104682 362149826 /nfs/dbraw/zinc/14/98/26/362149826.db2.gz CQPUQILJCNZTBD-LLVKDONJSA-N 1 2 287.367 0.780 20 30 CCEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)nc(C3CC3)n2)CCO1 ZINC000601111895 362150780 /nfs/dbraw/zinc/15/07/80/362150780.db2.gz ZLECNLJECQMWKL-LLVKDONJSA-N 1 2 287.367 0.780 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)nc(C3CC3)n2)CCO1 ZINC000601111895 362150786 /nfs/dbraw/zinc/15/07/86/362150786.db2.gz ZLECNLJECQMWKL-LLVKDONJSA-N 1 2 287.367 0.780 20 30 CCEDLO Cc1cc(NCCCc2c[nH][nH]c2=O)c(C#N)c[nH+]1 ZINC000601195359 362173516 /nfs/dbraw/zinc/17/35/16/362173516.db2.gz LJTSPGMQSWIWGI-SNVBAGLBSA-N 1 2 257.297 0.608 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000295045312 199318216 /nfs/dbraw/zinc/31/82/16/199318216.db2.gz SIEOASPSAZBTTR-VXGBXAGGSA-N 1 2 295.408 0.660 20 30 CCEDLO CN(C)c1[nH+]cccc1NC(=O)Cn1cnc(C#N)n1 ZINC000495082754 529815157 /nfs/dbraw/zinc/81/51/57/529815157.db2.gz JRSVHRZLQIUNOO-UHFFFAOYSA-N 1 2 271.284 0.249 20 30 CCEDLO CC[N@@H+](C)CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000117982661 349894875 /nfs/dbraw/zinc/89/48/75/349894875.db2.gz IYCYYLHRRHODEC-UHFFFAOYSA-N 1 2 294.380 0.650 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601530255 362301565 /nfs/dbraw/zinc/30/15/65/362301565.db2.gz GVKSYFVYINAMPV-VIFPVBQESA-N 1 2 271.346 0.178 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC ZINC000601785775 362393057 /nfs/dbraw/zinc/39/30/57/362393057.db2.gz CMUQIFCYPLCLNR-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC ZINC000601785775 362393061 /nfs/dbraw/zinc/39/30/61/362393061.db2.gz CMUQIFCYPLCLNR-LLVKDONJSA-N 1 2 265.313 0.966 20 30 CCEDLO COCCOC1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000601957852 362437648 /nfs/dbraw/zinc/43/76/48/362437648.db2.gz KHAMVPDUMMRSAZ-LLVKDONJSA-N 1 2 254.330 0.388 20 30 CCEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2F)[C@H](CO)C1 ZINC000601979650 362448642 /nfs/dbraw/zinc/44/86/42/362448642.db2.gz KNERXMSZAJCEEW-JTQLQIEISA-N 1 2 250.277 0.205 20 30 CCEDLO C[N@H+]1CCN(c2ncc(C#N)cc2F)[C@H](CO)C1 ZINC000601979650 362448651 /nfs/dbraw/zinc/44/86/51/362448651.db2.gz KNERXMSZAJCEEW-JTQLQIEISA-N 1 2 250.277 0.205 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000602100487 362488585 /nfs/dbraw/zinc/48/85/85/362488585.db2.gz BJRUBJMYQZUBPJ-NXEZZACHSA-N 1 2 270.296 0.684 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000602100487 362488592 /nfs/dbraw/zinc/48/85/92/362488592.db2.gz BJRUBJMYQZUBPJ-NXEZZACHSA-N 1 2 270.296 0.684 20 30 CCEDLO N#CCCN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000602200369 362554668 /nfs/dbraw/zinc/55/46/68/362554668.db2.gz MGOGUTLVOMIDCT-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO N#CCCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000602208274 362559140 /nfs/dbraw/zinc/55/91/40/362559140.db2.gz KXSIKROKZPEYTJ-UHFFFAOYSA-N 1 2 261.329 0.331 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)C ZINC000119236680 349925305 /nfs/dbraw/zinc/92/53/05/349925305.db2.gz LPCAFUFOAKTDRK-LBPRGKRZSA-N 1 2 269.345 0.536 20 30 CCEDLO COc1cccnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331135 362589712 /nfs/dbraw/zinc/58/97/12/362589712.db2.gz ACVOOGPEZUGQFE-CYBMUJFWSA-N 1 2 262.313 0.664 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(C2CC2)nn1 ZINC000602333666 362589947 /nfs/dbraw/zinc/58/99/47/362589947.db2.gz OJBNUIIBNPLBNP-LBPRGKRZSA-N 1 2 262.317 0.187 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602467706 362632749 /nfs/dbraw/zinc/63/27/49/362632749.db2.gz IAUYYSVHUJCHCQ-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602467706 362632751 /nfs/dbraw/zinc/63/27/51/362632751.db2.gz IAUYYSVHUJCHCQ-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO Cn1cnnc1N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602705106 362760581 /nfs/dbraw/zinc/76/05/81/362760581.db2.gz KQPUJTZNNUBZBP-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO CCn1nncc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851353 362839692 /nfs/dbraw/zinc/83/96/92/362839692.db2.gz VPILOPMIYCMSDW-TXEJJXNPSA-N 1 2 262.361 0.716 20 30 CCEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851353 362839695 /nfs/dbraw/zinc/83/96/95/362839695.db2.gz VPILOPMIYCMSDW-TXEJJXNPSA-N 1 2 262.361 0.716 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H](C)N1CC#N ZINC000602857110 362844151 /nfs/dbraw/zinc/84/41/51/362844151.db2.gz OSEPFEHISRKQRI-STQMWFEESA-N 1 2 278.400 0.963 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000318359844 137079121 /nfs/dbraw/zinc/07/91/21/137079121.db2.gz YTUCILIQQQZCGJ-ZIAGYGMSSA-N 1 2 298.346 0.707 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000318359844 137079122 /nfs/dbraw/zinc/07/91/22/137079122.db2.gz YTUCILIQQQZCGJ-ZIAGYGMSSA-N 1 2 298.346 0.707 20 30 CCEDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000339354536 215115404 /nfs/dbraw/zinc/11/54/04/215115404.db2.gz NDRRPZQHGIIXDW-GFCCVEGCSA-N 1 2 265.288 0.629 20 30 CCEDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000339354536 215115405 /nfs/dbraw/zinc/11/54/05/215115405.db2.gz NDRRPZQHGIIXDW-GFCCVEGCSA-N 1 2 265.288 0.629 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000028102979 348104803 /nfs/dbraw/zinc/10/48/03/348104803.db2.gz MZLFVIUYQFANDO-LLVKDONJSA-N 1 2 278.381 0.403 20 30 CCEDLO C#CCNC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000028762476 348108405 /nfs/dbraw/zinc/10/84/05/348108405.db2.gz GZGXZZRZZLKXQE-QMMMGPOBSA-N 1 2 275.337 0.593 20 30 CCEDLO COCC(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000128726455 187386722 /nfs/dbraw/zinc/38/67/22/187386722.db2.gz VWYPAVCEZWLNHF-UHFFFAOYSA-N 1 2 279.365 0.910 20 30 CCEDLO Cn1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000032539953 348134491 /nfs/dbraw/zinc/13/44/91/348134491.db2.gz KYWIXRGCODFDRP-AWEZNQCLSA-N 1 2 275.356 0.660 20 30 CCEDLO Cn1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000032539953 348134494 /nfs/dbraw/zinc/13/44/94/348134494.db2.gz KYWIXRGCODFDRP-AWEZNQCLSA-N 1 2 275.356 0.660 20 30 CCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000034673848 348151419 /nfs/dbraw/zinc/15/14/19/348151419.db2.gz VZOLKDUBPUZTRO-ZDUSSCGKSA-N 1 2 262.309 0.630 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)nc1 ZINC000602866721 362851189 /nfs/dbraw/zinc/85/11/89/362851189.db2.gz AGUNRJCUAMNKLI-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602965234 362912492 /nfs/dbraw/zinc/91/24/92/362912492.db2.gz ACYDBKNAKBMBSV-GFCCVEGCSA-N 1 2 271.357 0.561 20 30 CCEDLO C[N@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976122 362918069 /nfs/dbraw/zinc/91/80/69/362918069.db2.gz LBTJRKXAILGUAP-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976122 362918074 /nfs/dbraw/zinc/91/80/74/362918074.db2.gz LBTJRKXAILGUAP-WCQYABFASA-N 1 2 265.357 0.906 20 30 CCEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000054977772 348566957 /nfs/dbraw/zinc/56/69/57/348566957.db2.gz DHQVPPCTVBUNOY-UHFFFAOYSA-N 1 2 288.351 0.040 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423294 348715095 /nfs/dbraw/zinc/71/50/95/348715095.db2.gz WBSQXRWGWJIYPU-WDEREUQCSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423294 348715096 /nfs/dbraw/zinc/71/50/96/348715096.db2.gz WBSQXRWGWJIYPU-WDEREUQCSA-N 1 2 283.372 0.886 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C[C@@H](C)C#N ZINC000064248839 348697499 /nfs/dbraw/zinc/69/74/99/348697499.db2.gz OHDWTVFDQVQGLV-WDEREUQCSA-N 1 2 284.360 0.329 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C[C@@H](C)C#N ZINC000064248839 348697503 /nfs/dbraw/zinc/69/75/03/348697503.db2.gz OHDWTVFDQVQGLV-WDEREUQCSA-N 1 2 284.360 0.329 20 30 CCEDLO C#CC[N@@H+](CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000066538932 348747664 /nfs/dbraw/zinc/74/76/64/348747664.db2.gz UHPCBEGFSLQOKA-LBPRGKRZSA-N 1 2 254.355 0.803 20 30 CCEDLO C#CC[N@H+](CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000066538932 348747668 /nfs/dbraw/zinc/74/76/68/348747668.db2.gz UHPCBEGFSLQOKA-LBPRGKRZSA-N 1 2 254.355 0.803 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000075637284 349044049 /nfs/dbraw/zinc/04/40/49/349044049.db2.gz DBUUQARARJWVLS-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000075637284 349044051 /nfs/dbraw/zinc/04/40/51/349044051.db2.gz DBUUQARARJWVLS-LLVKDONJSA-N 1 2 259.309 0.757 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](CC)C(=O)OCC)CC1 ZINC000075586903 349039645 /nfs/dbraw/zinc/03/96/45/349039645.db2.gz SAXLDRWLHRZDQT-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000076667736 349088880 /nfs/dbraw/zinc/08/88/80/349088880.db2.gz SHGGFWOKSLVQBB-UHFFFAOYSA-N 1 2 258.325 0.448 20 30 CCEDLO C=CCCOCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000121537619 350043823 /nfs/dbraw/zinc/04/38/23/350043823.db2.gz GCTDZMVVZBMMPU-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125785132 350129501 /nfs/dbraw/zinc/12/95/01/350129501.db2.gz PIAMHDXZVZLVDX-JTQLQIEISA-N 1 2 261.329 0.528 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2n[nH]cc2C1 ZINC000125785132 350129503 /nfs/dbraw/zinc/12/95/03/350129503.db2.gz PIAMHDXZVZLVDX-JTQLQIEISA-N 1 2 261.329 0.528 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155476 199377085 /nfs/dbraw/zinc/37/70/85/199377085.db2.gz FYCWKTPGQCVEIZ-MNOVXSKESA-N 1 2 291.355 0.412 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)C1=O ZINC000295155476 199377087 /nfs/dbraw/zinc/37/70/87/199377087.db2.gz FYCWKTPGQCVEIZ-MNOVXSKESA-N 1 2 291.355 0.412 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H]2COCC[N@H+]2C)ncc1C#N ZINC000603122723 362970214 /nfs/dbraw/zinc/97/02/14/362970214.db2.gz YTEBJWYRIHZPLX-GFCCVEGCSA-N 1 2 289.339 0.136 20 30 CCEDLO Cc1cc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)ncc1C#N ZINC000603122723 362970219 /nfs/dbraw/zinc/97/02/19/362970219.db2.gz YTEBJWYRIHZPLX-GFCCVEGCSA-N 1 2 289.339 0.136 20 30 CCEDLO N#Cc1ccc(F)c(Cn2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000603191020 362992028 /nfs/dbraw/zinc/99/20/28/362992028.db2.gz HKIQTICOEPOUAH-CQSZACIVSA-N 1 2 287.298 0.998 20 30 CCEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000174239020 351075684 /nfs/dbraw/zinc/07/56/84/351075684.db2.gz AXWIGKANTGXCBW-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000174239020 351075686 /nfs/dbraw/zinc/07/56/86/351075686.db2.gz AXWIGKANTGXCBW-LLVKDONJSA-N 1 2 296.371 0.615 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C#Cc2ccccc2)C1 ZINC000176154020 351158741 /nfs/dbraw/zinc/15/87/41/351158741.db2.gz KNTPNWKYUOSLCI-CQSZACIVSA-N 1 2 258.321 0.485 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C#Cc2ccccc2)C1 ZINC000176154020 351158742 /nfs/dbraw/zinc/15/87/42/351158742.db2.gz KNTPNWKYUOSLCI-CQSZACIVSA-N 1 2 258.321 0.485 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000603266237 363035122 /nfs/dbraw/zinc/03/51/22/363035122.db2.gz DYBMMKZLHMGOHG-ZDUSSCGKSA-N 1 2 275.356 0.692 20 30 CCEDLO COC[C@H]([NH2+]CC(=O)NCC#N)c1ccc(C)o1 ZINC000184677587 351419382 /nfs/dbraw/zinc/41/93/82/351419382.db2.gz ABMUTXDXRDPZSG-JTQLQIEISA-N 1 2 251.286 0.505 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187417145 351542683 /nfs/dbraw/zinc/54/26/83/351542683.db2.gz KBFCUJXYGDLPGS-YNEHKIRRSA-N 1 2 294.399 0.580 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187417145 351542687 /nfs/dbraw/zinc/54/26/87/351542687.db2.gz KBFCUJXYGDLPGS-YNEHKIRRSA-N 1 2 294.399 0.580 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000187666916 351551101 /nfs/dbraw/zinc/55/11/01/351551101.db2.gz YHVKGHDWBPZRQF-MFKMUULPSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000187666916 351551104 /nfs/dbraw/zinc/55/11/04/351551104.db2.gz YHVKGHDWBPZRQF-MFKMUULPSA-N 1 2 259.309 0.805 20 30 CCEDLO N#C[C@H]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603364235 363090861 /nfs/dbraw/zinc/09/08/61/363090861.db2.gz SKIUBBUWCXJEOX-WDEREUQCSA-N 1 2 268.342 0.495 20 30 CCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1(C)C ZINC000603374230 363095971 /nfs/dbraw/zinc/09/59/71/363095971.db2.gz IIOBIGLWRRWFBF-UHFFFAOYSA-N 1 2 283.353 0.866 20 30 CCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1(C)C ZINC000603374230 363095976 /nfs/dbraw/zinc/09/59/76/363095976.db2.gz IIOBIGLWRRWFBF-UHFFFAOYSA-N 1 2 283.353 0.866 20 30 CCEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C(N)=O)O1 ZINC000122962597 187062579 /nfs/dbraw/zinc/06/25/79/187062579.db2.gz LARKFBKNBLVBDC-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C(N)=O)O1 ZINC000122962597 187062580 /nfs/dbraw/zinc/06/25/80/187062580.db2.gz LARKFBKNBLVBDC-RNCFNFMXSA-N 1 2 277.299 0.772 20 30 CCEDLO N#CC[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603379772 363099930 /nfs/dbraw/zinc/09/99/30/363099930.db2.gz MFBRBUJLOWPCOB-GFCCVEGCSA-N 1 2 282.369 0.839 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC000271055816 353018694 /nfs/dbraw/zinc/01/86/94/353018694.db2.gz CZGZIRDVPHIHLT-UHFFFAOYSA-N 1 2 283.347 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC000271055816 353018696 /nfs/dbraw/zinc/01/86/96/353018696.db2.gz CZGZIRDVPHIHLT-UHFFFAOYSA-N 1 2 283.347 0.018 20 30 CCEDLO C=CCCCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274486434 353134028 /nfs/dbraw/zinc/13/40/28/353134028.db2.gz CFMJDAFBYRQZME-UHFFFAOYSA-N 1 2 296.415 0.934 20 30 CCEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000290799303 353750650 /nfs/dbraw/zinc/75/06/50/353750650.db2.gz DOXCHDMDANNXLE-BXUZGUMPSA-N 1 2 288.351 0.822 20 30 CCEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295431180 353893982 /nfs/dbraw/zinc/89/39/82/353893982.db2.gz DBIAZTZTJDOSSG-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295431180 353893984 /nfs/dbraw/zinc/89/39/84/353893984.db2.gz DBIAZTZTJDOSSG-LBPRGKRZSA-N 1 2 250.273 0.890 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000298073783 353961301 /nfs/dbraw/zinc/96/13/01/353961301.db2.gz AIAUUQQANBGVDT-ZDUSSCGKSA-N 1 2 287.363 0.652 20 30 CCEDLO Cc1ccc(C#N)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000305355367 354145252 /nfs/dbraw/zinc/14/52/52/354145252.db2.gz XKLRSVUUPLNTPY-CQSZACIVSA-N 1 2 276.336 0.939 20 30 CCEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000308291394 354183740 /nfs/dbraw/zinc/18/37/40/354183740.db2.gz HHHZLHRIDKSMJE-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000308291394 354183744 /nfs/dbraw/zinc/18/37/44/354183744.db2.gz HHHZLHRIDKSMJE-LLVKDONJSA-N 1 2 288.351 0.953 20 30 CCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2CC=CC2)CCO1 ZINC000328635699 354243208 /nfs/dbraw/zinc/24/32/08/354243208.db2.gz NPGUFVKFWPUMTO-GFCCVEGCSA-N 1 2 296.371 0.787 20 30 CCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2CC=CC2)CCO1 ZINC000328635699 354243212 /nfs/dbraw/zinc/24/32/12/354243212.db2.gz NPGUFVKFWPUMTO-GFCCVEGCSA-N 1 2 296.371 0.787 20 30 CCEDLO C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)n1cnc(C#N)n1 ZINC000336880114 355218413 /nfs/dbraw/zinc/21/84/13/355218413.db2.gz BQDIEWTVTQUHAZ-JTQLQIEISA-N 1 2 299.338 0.488 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C#N)c1 ZINC000336861627 355218868 /nfs/dbraw/zinc/21/88/68/355218868.db2.gz DFHZXIPPZSODNH-CYBMUJFWSA-N 1 2 298.302 0.795 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(C#N)c1 ZINC000336861627 355218870 /nfs/dbraw/zinc/21/88/70/355218870.db2.gz DFHZXIPPZSODNH-CYBMUJFWSA-N 1 2 298.302 0.795 20 30 CCEDLO Cc1cc(N2CCC[C@H](CS(N)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425230599 235275093 /nfs/dbraw/zinc/27/50/93/235275093.db2.gz RGCBNLJQORFNPH-NSHDSACASA-N 1 2 294.380 0.767 20 30 CCEDLO Cc1cc(C#N)nc(NCCNc2cccc[nH+]2)n1 ZINC000341371845 355660852 /nfs/dbraw/zinc/66/08/52/355660852.db2.gz LXZHTWAJZZRUTK-UHFFFAOYSA-N 1 2 254.297 0.998 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342274438 355728766 /nfs/dbraw/zinc/72/87/66/355728766.db2.gz VYTKAMPGNXRKHI-LBPRGKRZSA-N 1 2 290.367 0.830 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)NCC(=O)NCC#N)cc2n1C ZINC000344149377 355785951 /nfs/dbraw/zinc/78/59/51/355785951.db2.gz HGNZHNITZKPODB-UHFFFAOYSA-N 1 2 285.307 0.251 20 30 CCEDLO N#Cc1cccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000348436838 355929975 /nfs/dbraw/zinc/92/99/75/355929975.db2.gz XVEBDNUNDHIBMK-ZDUSSCGKSA-N 1 2 295.302 0.944 20 30 CCEDLO N#Cc1cccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)c1 ZINC000348436838 355929978 /nfs/dbraw/zinc/92/99/78/355929978.db2.gz XVEBDNUNDHIBMK-ZDUSSCGKSA-N 1 2 295.302 0.944 20 30 CCEDLO C[N@H+](CC(=O)Nc1nn[nH]n1)Cc1cccc(C#N)c1 ZINC000352974450 356123382 /nfs/dbraw/zinc/12/33/82/356123382.db2.gz RROTZKGRPRPLIX-UHFFFAOYSA-N 1 2 271.284 0.142 20 30 CCEDLO C[N@@H+](CC(=O)Nc1nn[nH]n1)Cc1cccc(C#N)c1 ZINC000352974450 356123386 /nfs/dbraw/zinc/12/33/86/356123386.db2.gz RROTZKGRPRPLIX-UHFFFAOYSA-N 1 2 271.284 0.142 20 30 CCEDLO N#Cc1csc(CNCCC[NH+]2CCOCC2)n1 ZINC000352830957 356092019 /nfs/dbraw/zinc/09/20/19/356092019.db2.gz BJVZERVYUACGIB-UHFFFAOYSA-N 1 2 266.370 0.827 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000608778010 363462190 /nfs/dbraw/zinc/46/21/90/363462190.db2.gz KEQFTTZYCWSYRA-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000608778010 363462197 /nfs/dbraw/zinc/46/21/97/363462197.db2.gz KEQFTTZYCWSYRA-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000362051983 138043935 /nfs/dbraw/zinc/04/39/35/138043935.db2.gz IXJUXPBDLHHZSO-CQSZACIVSA-N 1 2 273.336 0.895 20 30 CCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000362051983 138043936 /nfs/dbraw/zinc/04/39/36/138043936.db2.gz IXJUXPBDLHHZSO-CQSZACIVSA-N 1 2 273.336 0.895 20 30 CCEDLO N#Cc1cc(N2CC[NH+](CC(N)=O)CC2)nc2ccccc12 ZINC000609890852 363525485 /nfs/dbraw/zinc/52/54/85/363525485.db2.gz UJNRGOYVUHFQAL-UHFFFAOYSA-N 1 2 295.346 0.714 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N=c1ccn(CCC#N)[nH]1 ZINC000610325727 363550833 /nfs/dbraw/zinc/55/08/33/363550833.db2.gz KUKWEJQTRJHFKI-UHFFFAOYSA-N 1 2 273.300 0.274 20 30 CCEDLO C=C[C@@H]([NH2+]CCCNC(=O)C1CCC1)C(=O)OC ZINC000619701945 366326660 /nfs/dbraw/zinc/32/66/60/366326660.db2.gz ATAFEJCFXMDPPR-LLVKDONJSA-N 1 2 254.330 0.610 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000619720026 366341438 /nfs/dbraw/zinc/34/14/38/366341438.db2.gz UQPXPHHEXAENFJ-NEPJUHHUSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000619720026 366341443 /nfs/dbraw/zinc/34/14/43/366341443.db2.gz UQPXPHHEXAENFJ-NEPJUHHUSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)C(=O)OC ZINC000619704315 366329101 /nfs/dbraw/zinc/32/91/01/366329101.db2.gz DCMLPXGXMYSZRD-RYUDHWBXSA-N 1 2 254.330 0.562 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000619715881 366332458 /nfs/dbraw/zinc/33/24/58/366332458.db2.gz YBBKHUSULPOFSF-LLVKDONJSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)OC)CC1 ZINC000619716774 366333857 /nfs/dbraw/zinc/33/38/57/366333857.db2.gz GIWKHQZSZFBPFS-NSHDSACASA-N 1 2 255.314 0.989 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000619716316 366333892 /nfs/dbraw/zinc/33/38/92/366333892.db2.gz JBMJSXGCVLTWEK-QWHCGFSZSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000619716316 366333900 /nfs/dbraw/zinc/33/39/00/366333900.db2.gz JBMJSXGCVLTWEK-QWHCGFSZSA-N 1 2 280.368 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000619717738 366335748 /nfs/dbraw/zinc/33/57/48/366335748.db2.gz FZRJYFXTZNXALJ-CYBMUJFWSA-N 1 2 278.356 0.265 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000619722535 366343009 /nfs/dbraw/zinc/34/30/09/366343009.db2.gz MFGPJRWNJVHTHA-GFCCVEGCSA-N 1 2 268.357 0.952 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000619722535 366343013 /nfs/dbraw/zinc/34/30/13/366343013.db2.gz MFGPJRWNJVHTHA-GFCCVEGCSA-N 1 2 268.357 0.952 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655783595 412659357 /nfs/dbraw/zinc/65/93/57/412659357.db2.gz AWDQTIVLWYVZLX-BETUJISGSA-N 1 2 283.372 0.351 20 30 CCEDLO C=CCOCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655783595 412659362 /nfs/dbraw/zinc/65/93/62/412659362.db2.gz AWDQTIVLWYVZLX-BETUJISGSA-N 1 2 283.372 0.351 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCOC[C@@H]2CC(N)=O)ccc1F ZINC000452089142 236218141 /nfs/dbraw/zinc/21/81/41/236218141.db2.gz SMOCASATOMCTMW-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)ccc1F ZINC000452089142 236218142 /nfs/dbraw/zinc/21/81/42/236218142.db2.gz SMOCASATOMCTMW-LBPRGKRZSA-N 1 2 277.299 0.774 20 30 CCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cnc(C#N)cn1 ZINC000286321152 291130910 /nfs/dbraw/zinc/13/09/10/291130910.db2.gz KXQRRCBOYCMHEP-AAEUAGOBSA-N 1 2 273.340 0.648 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000610724007 363604693 /nfs/dbraw/zinc/60/46/93/363604693.db2.gz YRCBGVLEAYXESM-CYBMUJFWSA-N 1 2 286.335 0.500 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570093574 358822516 /nfs/dbraw/zinc/82/25/16/358822516.db2.gz WBPZQAHUATZBMZ-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570093574 358822518 /nfs/dbraw/zinc/82/25/18/358822518.db2.gz WBPZQAHUATZBMZ-ZDUSSCGKSA-N 1 2 298.350 0.701 20 30 CCEDLO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000570716152 358888011 /nfs/dbraw/zinc/88/80/11/358888011.db2.gz AODJIJMYHZGBOT-SFYZADRCSA-N 1 2 258.285 0.480 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000610843421 363620832 /nfs/dbraw/zinc/62/08/32/363620832.db2.gz NWPFLDFXBHNAOS-STQMWFEESA-N 1 2 264.373 0.431 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993300 363643499 /nfs/dbraw/zinc/64/34/99/363643499.db2.gz LQRAPISJAFBUCE-NSHDSACASA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993300 363643500 /nfs/dbraw/zinc/64/35/00/363643500.db2.gz LQRAPISJAFBUCE-NSHDSACASA-N 1 2 280.353 0.077 20 30 CCEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610994695 363645555 /nfs/dbraw/zinc/64/55/55/363645555.db2.gz NGVVNEMQODBDNC-UHFFFAOYSA-N 1 2 289.335 0.843 20 30 CCEDLO N#Cc1cccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000589255225 359373997 /nfs/dbraw/zinc/37/39/97/359373997.db2.gz UVRGDGUYKNXXQN-UHFFFAOYSA-N 1 2 255.281 0.970 20 30 CCEDLO C[N@@H+]1CC[C@@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000588767529 359336424 /nfs/dbraw/zinc/33/64/24/359336424.db2.gz PZXSNGYFNHVCMO-SECBINFHSA-N 1 2 259.313 0.471 20 30 CCEDLO C[N@H+]1CC[C@@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000588767529 359336427 /nfs/dbraw/zinc/33/64/27/359336427.db2.gz PZXSNGYFNHVCMO-SECBINFHSA-N 1 2 259.313 0.471 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000590052518 359420514 /nfs/dbraw/zinc/42/05/14/359420514.db2.gz DFQVAFXHXKZVGG-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)n1 ZINC000589503136 359388003 /nfs/dbraw/zinc/38/80/03/359388003.db2.gz NRXNHTNKJVEMEU-GFCCVEGCSA-N 1 2 288.351 0.746 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1C ZINC000611083904 363656569 /nfs/dbraw/zinc/65/65/69/363656569.db2.gz MSGFGQSANNBIKF-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1C ZINC000611083904 363656573 /nfs/dbraw/zinc/65/65/73/363656573.db2.gz MSGFGQSANNBIKF-LLVKDONJSA-N 1 2 274.390 0.103 20 30 CCEDLO N#Cc1c(NC(=O)Cn2cc[nH+]c2)n[nH]c1C1CC1 ZINC000589721823 359400027 /nfs/dbraw/zinc/40/00/27/359400027.db2.gz SOJDBJUASDKFNK-UHFFFAOYSA-N 1 2 256.269 0.994 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599779 359495788 /nfs/dbraw/zinc/49/57/88/359495788.db2.gz PEFBPTRMHLCYPB-AWEZNQCLSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)N1CCn2c[nH+]cc2C1 ZINC000590599781 359495859 /nfs/dbraw/zinc/49/58/59/359495859.db2.gz PFKFCQGHIYSPCF-LLVKDONJSA-N 1 2 261.329 0.459 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590698487 359509139 /nfs/dbraw/zinc/50/91/39/359509139.db2.gz LVTIXKSMWGBXSO-VXGBXAGGSA-N 1 2 271.357 0.966 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590698487 359509144 /nfs/dbraw/zinc/50/91/44/359509144.db2.gz LVTIXKSMWGBXSO-VXGBXAGGSA-N 1 2 271.357 0.966 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cocn2)nc1 ZINC000591735059 359650298 /nfs/dbraw/zinc/65/02/98/359650298.db2.gz NHUKJEKBONUDQK-UHFFFAOYSA-N 1 2 292.320 0.505 20 30 CCEDLO Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)c(C#N)c[nH+]1 ZINC000591821890 359662509 /nfs/dbraw/zinc/66/25/09/359662509.db2.gz YRGBAGRFLBTLKD-NSHDSACASA-N 1 2 274.324 0.291 20 30 CCEDLO Cc1cc(N2CCCN(C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000591819232 359663355 /nfs/dbraw/zinc/66/33/55/359663355.db2.gz ZTALNBFQIQRNNH-UHFFFAOYSA-N 1 2 259.313 0.853 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000591896833 359682969 /nfs/dbraw/zinc/68/29/69/359682969.db2.gz UCHCZEGTYRUVGR-OAHLLOKOSA-N 1 2 299.334 0.894 20 30 CCEDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccncc1C#N ZINC000592121584 359759901 /nfs/dbraw/zinc/75/99/01/359759901.db2.gz UGGXAWMTMMUNHZ-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccncc1C#N ZINC000592121584 359759906 /nfs/dbraw/zinc/75/99/06/359759906.db2.gz UGGXAWMTMMUNHZ-SMDDNHRTSA-N 1 2 261.325 0.925 20 30 CCEDLO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147154 359766046 /nfs/dbraw/zinc/76/60/46/359766046.db2.gz MGRXIDZGMCIFKT-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO Cc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147154 359766048 /nfs/dbraw/zinc/76/60/48/359766048.db2.gz MGRXIDZGMCIFKT-MRXNPFEDSA-N 1 2 287.363 0.962 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148255 359767310 /nfs/dbraw/zinc/76/73/10/359767310.db2.gz SRSSPUKWAJRIKW-CYBMUJFWSA-N 1 2 253.346 0.642 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148255 359767312 /nfs/dbraw/zinc/76/73/12/359767312.db2.gz SRSSPUKWAJRIKW-CYBMUJFWSA-N 1 2 253.346 0.642 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150918 359768969 /nfs/dbraw/zinc/76/89/69/359768969.db2.gz JRSVKUBYJBSWKY-TZMCWYRMSA-N 1 2 278.356 0.345 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150918 359768974 /nfs/dbraw/zinc/76/89/74/359768974.db2.gz JRSVKUBYJBSWKY-TZMCWYRMSA-N 1 2 278.356 0.345 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150915 359769659 /nfs/dbraw/zinc/76/96/59/359769659.db2.gz JRSVKUBYJBSWKY-GXTWGEPZSA-N 1 2 278.356 0.345 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150915 359769662 /nfs/dbraw/zinc/76/96/62/359769662.db2.gz JRSVKUBYJBSWKY-GXTWGEPZSA-N 1 2 278.356 0.345 20 30 CCEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149408 359769750 /nfs/dbraw/zinc/76/97/50/359769750.db2.gz OOYJKIYZUQKONB-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149408 359769752 /nfs/dbraw/zinc/76/97/52/359769752.db2.gz OOYJKIYZUQKONB-HNNXBMFYSA-N 1 2 289.335 0.984 20 30 CCEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152573 359770058 /nfs/dbraw/zinc/77/00/58/359770058.db2.gz YAXMEBLASGAWTQ-JTQLQIEISA-N 1 2 279.262 0.358 20 30 CCEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152573 359770064 /nfs/dbraw/zinc/77/00/64/359770064.db2.gz YAXMEBLASGAWTQ-JTQLQIEISA-N 1 2 279.262 0.358 20 30 CCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000611190998 363676329 /nfs/dbraw/zinc/67/63/29/363676329.db2.gz DAFQZYJYVSIMED-OLZOCXBDSA-N 1 2 266.389 0.629 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173749 363671195 /nfs/dbraw/zinc/67/11/95/363671195.db2.gz JDTQPMSAGGFPDP-GFCCVEGCSA-N 1 2 250.346 0.208 20 30 CCEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173555 363671203 /nfs/dbraw/zinc/67/12/03/363671203.db2.gz AHWQZJSVMJAXGR-CYBMUJFWSA-N 1 2 266.389 0.678 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611204876 363680055 /nfs/dbraw/zinc/68/00/55/363680055.db2.gz DZZVGFVAROMMIE-IUODEOHRSA-N 1 2 296.415 0.839 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611204876 363680063 /nfs/dbraw/zinc/68/00/63/363680063.db2.gz DZZVGFVAROMMIE-IUODEOHRSA-N 1 2 296.415 0.839 20 30 CCEDLO C[C@H]1C(=O)N(C)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000592530362 359872237 /nfs/dbraw/zinc/87/22/37/359872237.db2.gz UMZQGDBJQSYULE-JTQLQIEISA-N 1 2 269.308 0.826 20 30 CCEDLO N#Cc1ccnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000611253656 363698094 /nfs/dbraw/zinc/69/80/94/363698094.db2.gz SWXWRJLTOWDBTD-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153238 360048805 /nfs/dbraw/zinc/04/88/05/360048805.db2.gz GNWYYBZXKWJQNF-AWEZNQCLSA-N 1 2 271.324 0.835 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094498 360035064 /nfs/dbraw/zinc/03/50/64/360035064.db2.gz JKGHPSMOXFLKON-PZROIBLQSA-N 1 2 268.382 0.392 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593094498 360035065 /nfs/dbraw/zinc/03/50/65/360035065.db2.gz JKGHPSMOXFLKON-PZROIBLQSA-N 1 2 268.382 0.392 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C#N)CC)CC1 ZINC000593460403 360093643 /nfs/dbraw/zinc/09/36/43/360093643.db2.gz BDXYDQUWQRHIGY-GFCCVEGCSA-N 1 2 253.346 0.717 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000593520505 360106163 /nfs/dbraw/zinc/10/61/63/360106163.db2.gz PKDKUWMEDSIGNX-VXGBXAGGSA-N 1 2 251.330 0.469 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000593530958 360108467 /nfs/dbraw/zinc/10/84/67/360108467.db2.gz PQAVPOPYNXPEIW-UONOGXRCSA-N 1 2 295.383 0.486 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000593951431 360221283 /nfs/dbraw/zinc/22/12/83/360221283.db2.gz JKBBWISTZZDVOI-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593951431 360221286 /nfs/dbraw/zinc/22/12/86/360221286.db2.gz JKBBWISTZZDVOI-ZDUSSCGKSA-N 1 2 294.380 0.467 20 30 CCEDLO C=CC[N@@H+](CCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000177057806 189024908 /nfs/dbraw/zinc/02/49/08/189024908.db2.gz QLCRWSJBQVLWBX-SNVBAGLBSA-N 1 2 261.343 0.225 20 30 CCEDLO C=CC[N@H+](CCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000177057806 189024909 /nfs/dbraw/zinc/02/49/09/189024909.db2.gz QLCRWSJBQVLWBX-SNVBAGLBSA-N 1 2 261.343 0.225 20 30 CCEDLO CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000574089622 334991612 /nfs/dbraw/zinc/99/16/12/334991612.db2.gz PNHRCFGOZZQWDZ-CQSZACIVSA-N 1 2 299.338 0.236 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594967437 360428201 /nfs/dbraw/zinc/42/82/01/360428201.db2.gz ZIQABXWNBWZJKY-MNOVXSKESA-N 1 2 270.310 0.053 20 30 CCEDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594967439 360428216 /nfs/dbraw/zinc/42/82/16/360428216.db2.gz ZIQABXWNBWZJKY-QWRGUYRKSA-N 1 2 270.310 0.053 20 30 CCEDLO COC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)n1 ZINC000563420022 291227208 /nfs/dbraw/zinc/22/72/08/291227208.db2.gz IQMADGQZXDTIBD-SNVBAGLBSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)n1 ZINC000563420022 291227209 /nfs/dbraw/zinc/22/72/09/291227209.db2.gz IQMADGQZXDTIBD-SNVBAGLBSA-N 1 2 290.323 0.482 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595426195 360528235 /nfs/dbraw/zinc/52/82/35/360528235.db2.gz OOFYUIDHZKITLT-SWLSCSKDSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595426195 360528239 /nfs/dbraw/zinc/52/82/39/360528239.db2.gz OOFYUIDHZKITLT-SWLSCSKDSA-N 1 2 293.367 0.776 20 30 CCEDLO N#Cc1ccc(CC[N@@H+]2CCn3nnc(CO)c3C2)cc1 ZINC000595496747 360551599 /nfs/dbraw/zinc/55/15/99/360551599.db2.gz HAXGQTNFLLPNAQ-UHFFFAOYSA-N 1 2 283.335 0.700 20 30 CCEDLO N#Cc1ccc(CC[N@H+]2CCn3nnc(CO)c3C2)cc1 ZINC000595496747 360551607 /nfs/dbraw/zinc/55/16/07/360551607.db2.gz HAXGQTNFLLPNAQ-UHFFFAOYSA-N 1 2 283.335 0.700 20 30 CCEDLO C[C@H](C#N)N(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000595715785 360627697 /nfs/dbraw/zinc/62/76/97/360627697.db2.gz DLWMSVHIAMFMPM-YPMHNXCESA-N 1 2 253.346 0.056 20 30 CCEDLO N#Cc1cnnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000596074824 360788170 /nfs/dbraw/zinc/78/81/70/360788170.db2.gz GVYWBJNCKOYHTG-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000596101630 360795560 /nfs/dbraw/zinc/79/55/60/360795560.db2.gz JFMMDDCKWBKUBE-LLVKDONJSA-N 1 2 275.356 0.465 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000596101630 360795563 /nfs/dbraw/zinc/79/55/63/360795563.db2.gz JFMMDDCKWBKUBE-LLVKDONJSA-N 1 2 275.356 0.465 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000597056808 361002056 /nfs/dbraw/zinc/00/20/56/361002056.db2.gz WGBDAYBOYYBZMB-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@@H](CC#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000597056808 361002060 /nfs/dbraw/zinc/00/20/60/361002060.db2.gz WGBDAYBOYYBZMB-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889050 361277135 /nfs/dbraw/zinc/27/71/35/361277135.db2.gz DPTFXDVDJCHLAK-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889050 361277143 /nfs/dbraw/zinc/27/71/43/361277143.db2.gz DPTFXDVDJCHLAK-HNNXBMFYSA-N 1 2 287.363 0.938 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000597998743 361305991 /nfs/dbraw/zinc/30/59/91/361305991.db2.gz QKCISAKKLFVQCV-NEPJUHHUSA-N 1 2 265.357 0.906 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000597998743 361305993 /nfs/dbraw/zinc/30/59/93/361305993.db2.gz QKCISAKKLFVQCV-NEPJUHHUSA-N 1 2 265.357 0.906 20 30 CCEDLO Cc1c[nH]c(C(C)(C)NC(=O)CNc2ccc(C#N)cn2)[nH+]1 ZINC000563966811 291261611 /nfs/dbraw/zinc/26/16/11/291261611.db2.gz SRVOVSZXTJSCEA-UHFFFAOYSA-N 1 2 298.350 0.870 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595684 361453125 /nfs/dbraw/zinc/45/31/25/361453125.db2.gz FTBJOSKAJQMZNO-VXGBXAGGSA-N 1 2 286.372 0.797 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595684 361453129 /nfs/dbraw/zinc/45/31/29/361453129.db2.gz FTBJOSKAJQMZNO-VXGBXAGGSA-N 1 2 286.372 0.797 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598596118 361453141 /nfs/dbraw/zinc/45/31/41/361453141.db2.gz QWZYQEOAPBXDHG-NEPJUHHUSA-N 1 2 284.356 0.551 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598596118 361453144 /nfs/dbraw/zinc/45/31/44/361453144.db2.gz QWZYQEOAPBXDHG-NEPJUHHUSA-N 1 2 284.356 0.551 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598596128 361453922 /nfs/dbraw/zinc/45/39/22/361453922.db2.gz QWZYQEOAPBXDHG-VXGBXAGGSA-N 1 2 284.356 0.551 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598596128 361453927 /nfs/dbraw/zinc/45/39/27/361453927.db2.gz QWZYQEOAPBXDHG-VXGBXAGGSA-N 1 2 284.356 0.551 20 30 CCEDLO CCN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598602948 361456505 /nfs/dbraw/zinc/45/65/05/361456505.db2.gz DDGNSNXINVASRB-NSHDSACASA-N 1 2 253.346 0.451 20 30 CCEDLO CCN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598602948 361456510 /nfs/dbraw/zinc/45/65/10/361456510.db2.gz DDGNSNXINVASRB-NSHDSACASA-N 1 2 253.346 0.451 20 30 CCEDLO Cc1cnc2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn2c1 ZINC000598836932 361523493 /nfs/dbraw/zinc/52/34/93/361523493.db2.gz SEZMNFSSXLPWNE-CYBMUJFWSA-N 1 2 287.327 0.006 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2ccccn2c1C#N ZINC000599160560 361593015 /nfs/dbraw/zinc/59/30/15/361593015.db2.gz MWGKASNGLXEYCG-NSHDSACASA-N 1 2 271.324 0.948 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2ccccn2c1C#N ZINC000599160560 361593018 /nfs/dbraw/zinc/59/30/18/361593018.db2.gz MWGKASNGLXEYCG-NSHDSACASA-N 1 2 271.324 0.948 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000599191637 361606254 /nfs/dbraw/zinc/60/62/54/361606254.db2.gz BIOFBWSNEYQZTK-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000599191637 361606257 /nfs/dbraw/zinc/60/62/57/361606257.db2.gz BIOFBWSNEYQZTK-CHWSQXEVSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000599196294 361607257 /nfs/dbraw/zinc/60/72/57/361607257.db2.gz XXXUOMUYBVXWNA-ZDUSSCGKSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000599196294 361607261 /nfs/dbraw/zinc/60/72/61/361607261.db2.gz XXXUOMUYBVXWNA-ZDUSSCGKSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000599193531 361607299 /nfs/dbraw/zinc/60/72/99/361607299.db2.gz LEXXBOHEKBJQOV-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000599193531 361607306 /nfs/dbraw/zinc/60/73/06/361607306.db2.gz LEXXBOHEKBJQOV-GXTWGEPZSA-N 1 2 280.372 0.652 20 30 CCEDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599278049 361629279 /nfs/dbraw/zinc/62/92/79/361629279.db2.gz VTFDCZIRRRUVJQ-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599278049 361629285 /nfs/dbraw/zinc/62/92/85/361629285.db2.gz VTFDCZIRRRUVJQ-ZDUSSCGKSA-N 1 2 292.335 0.793 20 30 CCEDLO N#CCC1(CS(=O)(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000599355747 361665327 /nfs/dbraw/zinc/66/53/27/361665327.db2.gz FZEYKVUTJGWOOZ-UHFFFAOYSA-N 1 2 254.315 0.523 20 30 CCEDLO N#CCC1(CS(=O)(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000599355747 361665329 /nfs/dbraw/zinc/66/53/29/361665329.db2.gz FZEYKVUTJGWOOZ-UHFFFAOYSA-N 1 2 254.315 0.523 20 30 CCEDLO C[C@@]1(C#N)CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000612002689 363828765 /nfs/dbraw/zinc/82/87/65/363828765.db2.gz OAFXGWASLLWGFV-AWEZNQCLSA-N 1 2 280.372 0.654 20 30 CCEDLO C[C@@]1(C#N)CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000612161498 363858757 /nfs/dbraw/zinc/85/87/57/363858757.db2.gz UCDSYUDHSSOJAX-LBPRGKRZSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000612161498 363858758 /nfs/dbraw/zinc/85/87/58/363858758.db2.gz UCDSYUDHSSOJAX-LBPRGKRZSA-N 1 2 250.302 0.164 20 30 CCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573661 363961740 /nfs/dbraw/zinc/96/17/40/363961740.db2.gz ZTOSRRJITIMWBN-VHSXEESVSA-N 1 2 276.344 0.270 20 30 CCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000612573661 363961744 /nfs/dbraw/zinc/96/17/44/363961744.db2.gz ZTOSRRJITIMWBN-VHSXEESVSA-N 1 2 276.344 0.270 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C ZINC000613271949 364192734 /nfs/dbraw/zinc/19/27/34/364192734.db2.gz IYWOCBUCSNBAGW-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C ZINC000613271949 364192739 /nfs/dbraw/zinc/19/27/39/364192739.db2.gz IYWOCBUCSNBAGW-LLVKDONJSA-N 1 2 271.386 0.646 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613863827 364415969 /nfs/dbraw/zinc/41/59/69/364415969.db2.gz RLVQAENQBNJELF-OLZOCXBDSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613863827 364415975 /nfs/dbraw/zinc/41/59/75/364415975.db2.gz RLVQAENQBNJELF-OLZOCXBDSA-N 1 2 254.330 0.926 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000614418998 364600014 /nfs/dbraw/zinc/60/00/14/364600014.db2.gz PKHDZBBWSCUNLL-GXTWGEPZSA-N 1 2 288.355 0.333 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000614418998 364600019 /nfs/dbraw/zinc/60/00/19/364600019.db2.gz PKHDZBBWSCUNLL-GXTWGEPZSA-N 1 2 288.355 0.333 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615530662 364993133 /nfs/dbraw/zinc/99/31/33/364993133.db2.gz CTSNFKIJQQKCFL-WCQYABFASA-N 1 2 284.335 0.354 20 30 CCEDLO Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)nc1C#N ZINC000615698932 365056793 /nfs/dbraw/zinc/05/67/93/365056793.db2.gz HOVVQVVMOZLCQJ-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)nc1C#N ZINC000615698932 365056800 /nfs/dbraw/zinc/05/68/00/365056800.db2.gz HOVVQVVMOZLCQJ-LBPRGKRZSA-N 1 2 260.341 0.816 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000615824058 365096314 /nfs/dbraw/zinc/09/63/14/365096314.db2.gz AMOVNDONIHOBQH-GWCFXTLKSA-N 1 2 262.288 0.910 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1=O ZINC000684940233 545764828 /nfs/dbraw/zinc/76/48/28/545764828.db2.gz LUPJWTZFQWWQBD-CYBMUJFWSA-N 1 2 290.367 0.909 20 30 CCEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000625734489 368309599 /nfs/dbraw/zinc/30/95/99/368309599.db2.gz NGJNYFYBMISSPN-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000625734489 368309605 /nfs/dbraw/zinc/30/96/05/368309605.db2.gz NGJNYFYBMISSPN-NEPJUHHUSA-N 1 2 253.346 0.418 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914960 369452865 /nfs/dbraw/zinc/45/28/65/369452865.db2.gz RZXIZRKTXVQZGN-UTUOFQBUSA-N 1 2 254.330 0.024 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914960 369452868 /nfs/dbraw/zinc/45/28/68/369452868.db2.gz RZXIZRKTXVQZGN-UTUOFQBUSA-N 1 2 254.330 0.024 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915619 369453804 /nfs/dbraw/zinc/45/38/04/369453804.db2.gz TULIRBSCAQEKCE-OCCSQVGLSA-N 1 2 270.373 0.662 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915619 369453807 /nfs/dbraw/zinc/45/38/07/369453807.db2.gz TULIRBSCAQEKCE-OCCSQVGLSA-N 1 2 270.373 0.662 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920676 369464297 /nfs/dbraw/zinc/46/42/97/369464297.db2.gz NUUQLOQDDPDWKU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920676 369464301 /nfs/dbraw/zinc/46/43/01/369464301.db2.gz NUUQLOQDDPDWKU-NWDGAFQWSA-N 1 2 256.346 0.414 20 30 CCEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#CCO ZINC000635900709 373075212 /nfs/dbraw/zinc/07/52/12/373075212.db2.gz RMNDHULNVGJQOV-SECBINFHSA-N 1 2 275.230 0.489 20 30 CCEDLO C=CCCC(C)(C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638866130 375415637 /nfs/dbraw/zinc/41/56/37/375415637.db2.gz OBJFQXAMVZIPTA-GFCCVEGCSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639773187 376004011 /nfs/dbraw/zinc/00/40/11/376004011.db2.gz DJASBKQBJDAEMU-LBPRGKRZSA-N 1 2 280.372 0.372 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640883625 376595624 /nfs/dbraw/zinc/59/56/24/376595624.db2.gz KRGOLFKBEWQMLN-LBPRGKRZSA-N 1 2 293.371 0.016 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCCC)nn1 ZINC000640902994 376608580 /nfs/dbraw/zinc/60/85/80/376608580.db2.gz CALWQVYHWVIVDQ-LBPRGKRZSA-N 1 2 277.372 0.868 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C(C)C)no2)nn1 ZINC000640930338 376620512 /nfs/dbraw/zinc/62/05/12/376620512.db2.gz VZSLTAKEFNOWEN-UHFFFAOYSA-N 1 2 274.328 0.946 20 30 CCEDLO C=CCCCCn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640939394 376629497 /nfs/dbraw/zinc/62/94/97/376629497.db2.gz OQYPTLXKGJSBJZ-GFCCVEGCSA-N 1 2 298.412 0.911 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nccc(N)n2)nn1 ZINC000641160453 376826414 /nfs/dbraw/zinc/82/64/14/376826414.db2.gz QTMHESQJQSPVHE-JTQLQIEISA-N 1 2 271.328 0.203 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC2(O)CCSCC2)nn1 ZINC000641220386 376906278 /nfs/dbraw/zinc/90/62/78/376906278.db2.gz MCOBUJHWQWRQNV-UHFFFAOYSA-N 1 2 280.397 0.649 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@H+]([C@H]3COC[C@H]3O)CCO2)c1 ZINC000463160864 249081953 /nfs/dbraw/zinc/08/19/53/249081953.db2.gz LEYSRTWJKFSBRN-RRFJBIMHSA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3COC[C@H]3O)CCO2)c1 ZINC000463160864 249081955 /nfs/dbraw/zinc/08/19/55/249081955.db2.gz LEYSRTWJKFSBRN-RRFJBIMHSA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ncn1 ZINC000516381529 249161933 /nfs/dbraw/zinc/16/19/33/249161933.db2.gz KNVOQNIPBKZKNY-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)nn1 ZINC000657497710 413011233 /nfs/dbraw/zinc/01/12/33/413011233.db2.gz YRNQXAGGYSYFAK-NSHDSACASA-N 1 2 277.328 0.091 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1 ZINC000352602480 285324449 /nfs/dbraw/zinc/32/44/49/285324449.db2.gz ARUCNVRIUXSOBK-NEPJUHHUSA-N 1 2 288.417 0.491 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1 ZINC000352602480 285324451 /nfs/dbraw/zinc/32/44/51/285324451.db2.gz ARUCNVRIUXSOBK-NEPJUHHUSA-N 1 2 288.417 0.491 20 30 CCEDLO Cc1nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC000185363583 388800922 /nfs/dbraw/zinc/80/09/22/388800922.db2.gz BOGYJCCQVYFGCZ-UHFFFAOYSA-N 1 2 296.334 0.947 20 30 CCEDLO CCNC(=O)C[N@H+](CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011288160 388770850 /nfs/dbraw/zinc/77/08/50/388770850.db2.gz ZLXBNCWTAKYPLF-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011288160 388770851 /nfs/dbraw/zinc/77/08/51/388770851.db2.gz ZLXBNCWTAKYPLF-CQSZACIVSA-N 1 2 280.372 0.253 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000284847512 388785265 /nfs/dbraw/zinc/78/52/65/388785265.db2.gz LNVNGLPSSWWDTC-LBPRGKRZSA-N 1 2 287.367 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000284847512 388785269 /nfs/dbraw/zinc/78/52/69/388785269.db2.gz LNVNGLPSSWWDTC-LBPRGKRZSA-N 1 2 287.367 0.077 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000284847512 388785271 /nfs/dbraw/zinc/78/52/71/388785271.db2.gz LNVNGLPSSWWDTC-LBPRGKRZSA-N 1 2 287.367 0.077 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CSCC#N ZINC000046889840 388878056 /nfs/dbraw/zinc/87/80/56/388878056.db2.gz IZDYZKNWTMCMPO-JTQLQIEISA-N 1 2 257.359 0.080 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000049000629 388913086 /nfs/dbraw/zinc/91/30/86/388913086.db2.gz LIYHTNDFHXOMKV-JTQLQIEISA-N 1 2 254.334 0.704 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000049000629 388913088 /nfs/dbraw/zinc/91/30/88/388913088.db2.gz LIYHTNDFHXOMKV-JTQLQIEISA-N 1 2 254.334 0.704 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000291053774 388916658 /nfs/dbraw/zinc/91/66/58/388916658.db2.gz DYNRORXOJRAZHE-NWDGAFQWSA-N 1 2 278.356 0.644 20 30 CCEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000291053774 388916660 /nfs/dbraw/zinc/91/66/60/388916660.db2.gz DYNRORXOJRAZHE-NWDGAFQWSA-N 1 2 278.356 0.644 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000291260888 388920101 /nfs/dbraw/zinc/92/01/01/388920101.db2.gz KTYDDNMRNMZYEM-MRXNPFEDSA-N 1 2 283.375 0.326 20 30 CCEDLO C#CC[N@@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539171 388945458 /nfs/dbraw/zinc/94/54/58/388945458.db2.gz CURJBINVLSYECP-GFCCVEGCSA-N 1 2 267.354 0.005 20 30 CCEDLO C#CC[N@H+](CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539171 388945459 /nfs/dbraw/zinc/94/54/59/388945459.db2.gz CURJBINVLSYECP-GFCCVEGCSA-N 1 2 267.354 0.005 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000066499175 388945565 /nfs/dbraw/zinc/94/55/65/388945565.db2.gz AZPPVRPNMOKEGY-CQSZACIVSA-N 1 2 281.400 0.867 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000066499175 388945569 /nfs/dbraw/zinc/94/55/69/388945569.db2.gz AZPPVRPNMOKEGY-CQSZACIVSA-N 1 2 281.400 0.867 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)COc1ccccc1C#N ZINC000071140287 388956535 /nfs/dbraw/zinc/95/65/35/388956535.db2.gz XYASCYVFLLMBNK-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)ccn1 ZINC000355286339 389053312 /nfs/dbraw/zinc/05/33/12/389053312.db2.gz QONIZVMDNAGLMZ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)ccn1 ZINC000355286339 389053315 /nfs/dbraw/zinc/05/33/15/389053315.db2.gz QONIZVMDNAGLMZ-LBPRGKRZSA-N 1 2 299.290 0.190 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226355 389056728 /nfs/dbraw/zinc/05/67/28/389056728.db2.gz PDXGNPISHTVVOY-STQMWFEESA-N 1 2 279.384 0.714 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(C)C)C2=O)C1=O ZINC000337226355 389056730 /nfs/dbraw/zinc/05/67/30/389056730.db2.gz PDXGNPISHTVVOY-STQMWFEESA-N 1 2 279.384 0.714 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C1 ZINC000328890595 389143309 /nfs/dbraw/zinc/14/33/09/389143309.db2.gz RTKHLFVVUPKWKP-MCIONIFRSA-N 1 2 297.399 0.874 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C1 ZINC000328890595 389143310 /nfs/dbraw/zinc/14/33/10/389143310.db2.gz RTKHLFVVUPKWKP-MCIONIFRSA-N 1 2 297.399 0.874 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cn1 ZINC000107555421 389096290 /nfs/dbraw/zinc/09/62/90/389096290.db2.gz DGKNFRDGQCEPGB-NSHDSACASA-N 1 2 274.324 0.404 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338586855 389112882 /nfs/dbraw/zinc/11/28/82/389112882.db2.gz JPFMSMWJHLFHEC-CYBMUJFWSA-N 1 2 282.319 0.049 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338586855 389112885 /nfs/dbraw/zinc/11/28/85/389112885.db2.gz JPFMSMWJHLFHEC-CYBMUJFWSA-N 1 2 282.319 0.049 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCSC[C@H]1C#N ZINC000339170896 389126806 /nfs/dbraw/zinc/12/68/06/389126806.db2.gz RMCOKQCYJKVPLQ-LLVKDONJSA-N 1 2 264.354 0.820 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+]C[C@@H]1COCCO1 ZINC000328696723 389132836 /nfs/dbraw/zinc/13/28/36/389132836.db2.gz UJMPUMHGIIRLKH-DGCLKSJQSA-N 1 2 296.371 0.747 20 30 CCEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])NC[C@@H]1COCCO1 ZINC000328696723 389132838 /nfs/dbraw/zinc/13/28/38/389132838.db2.gz UJMPUMHGIIRLKH-DGCLKSJQSA-N 1 2 296.371 0.747 20 30 CCEDLO Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])NCC[NH+]1CCC1)CC2 ZINC000328718557 389133431 /nfs/dbraw/zinc/13/34/31/389133431.db2.gz PWODWNWYMSLISN-NSHDSACASA-N 1 2 278.360 0.111 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000339758391 389138655 /nfs/dbraw/zinc/13/86/55/389138655.db2.gz QZNFUSLPUFGVMF-UHFFFAOYSA-N 1 2 275.308 0.762 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000339758391 389138657 /nfs/dbraw/zinc/13/86/57/389138657.db2.gz QZNFUSLPUFGVMF-UHFFFAOYSA-N 1 2 275.308 0.762 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCCO1 ZINC000121770655 389149969 /nfs/dbraw/zinc/14/99/69/389149969.db2.gz ZDXGOXLKZXUHBS-AWEZNQCLSA-N 1 2 295.383 0.630 20 30 CCEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329659614 389183664 /nfs/dbraw/zinc/18/36/64/389183664.db2.gz HVQPROPMLBDHAO-NWDGAFQWSA-N 1 2 291.355 0.470 20 30 CCEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329659614 389183665 /nfs/dbraw/zinc/18/36/65/389183665.db2.gz HVQPROPMLBDHAO-NWDGAFQWSA-N 1 2 291.355 0.470 20 30 CCEDLO C=CCCS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000129251978 389184815 /nfs/dbraw/zinc/18/48/15/389184815.db2.gz WUSGEXHSFHPAEU-UHFFFAOYSA-N 1 2 262.375 0.204 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCc1c[nH+]cn1C ZINC000329678451 389187174 /nfs/dbraw/zinc/18/71/74/389187174.db2.gz VPMQYEVNGMVBOV-CABZTGNLSA-N 1 2 252.318 0.991 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329760477 389197352 /nfs/dbraw/zinc/19/73/52/389197352.db2.gz QEVKGUONXYVHAJ-OBJOEFQTSA-N 1 2 284.404 0.303 20 30 CCEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329760477 389197355 /nfs/dbraw/zinc/19/73/55/389197355.db2.gz QEVKGUONXYVHAJ-OBJOEFQTSA-N 1 2 284.404 0.303 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360505330 389199111 /nfs/dbraw/zinc/19/91/11/389199111.db2.gz UILPLTARZNSRJZ-QWRGUYRKSA-N 1 2 278.356 0.751 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360505330 389199113 /nfs/dbraw/zinc/19/91/13/389199113.db2.gz UILPLTARZNSRJZ-QWRGUYRKSA-N 1 2 278.356 0.751 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC000342244066 389203302 /nfs/dbraw/zinc/20/33/02/389203302.db2.gz XZQXQCWYNBGYHR-CYBMUJFWSA-N 1 2 289.383 0.457 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000342244066 389203303 /nfs/dbraw/zinc/20/33/03/389203303.db2.gz XZQXQCWYNBGYHR-CYBMUJFWSA-N 1 2 289.383 0.457 20 30 CCEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000329324774 389156608 /nfs/dbraw/zinc/15/66/08/389156608.db2.gz IHSAVOHZJUXCIF-WCQYABFASA-N 1 2 271.361 0.390 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000358786515 389159984 /nfs/dbraw/zinc/15/99/84/389159984.db2.gz BUXQTZDCMZNRND-QWRGUYRKSA-N 1 2 278.360 0.474 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nncn1C ZINC000358821880 389160872 /nfs/dbraw/zinc/16/08/72/389160872.db2.gz KAXCPQXQROJOJH-LLVKDONJSA-N 1 2 290.371 0.808 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCOC1 ZINC000329384604 389161520 /nfs/dbraw/zinc/16/15/20/389161520.db2.gz PLPTUFONSKCSBE-RWMBFGLXSA-N 1 2 285.388 0.636 20 30 CCEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCOC1 ZINC000329384604 389161522 /nfs/dbraw/zinc/16/15/22/389161522.db2.gz PLPTUFONSKCSBE-RWMBFGLXSA-N 1 2 285.388 0.636 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)C1CC1 ZINC000329401197 389162201 /nfs/dbraw/zinc/16/22/01/389162201.db2.gz BJIXQUYSWIIJBB-UKRRQHHQSA-N 1 2 292.383 0.652 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)C1CC1 ZINC000329401197 389162202 /nfs/dbraw/zinc/16/22/02/389162202.db2.gz BJIXQUYSWIIJBB-UKRRQHHQSA-N 1 2 292.383 0.652 20 30 CCEDLO CCOC1CC(N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329468612 389165946 /nfs/dbraw/zinc/16/59/46/389165946.db2.gz XKTSYZCDMMNNSZ-WXRRBKDZSA-N 1 2 285.388 0.730 20 30 CCEDLO CCOC1CC(N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329468612 389165947 /nfs/dbraw/zinc/16/59/47/389165947.db2.gz XKTSYZCDMMNNSZ-WXRRBKDZSA-N 1 2 285.388 0.730 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000329595007 389173660 /nfs/dbraw/zinc/17/36/60/389173660.db2.gz BSDJABHHUZADTI-SNVBAGLBSA-N 1 2 275.312 0.365 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000329595007 389173661 /nfs/dbraw/zinc/17/36/61/389173661.db2.gz BSDJABHHUZADTI-SNVBAGLBSA-N 1 2 275.312 0.365 20 30 CCEDLO C[C@@H](CO)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330582142 389243369 /nfs/dbraw/zinc/24/33/69/389243369.db2.gz QZMOBKMBSHZBPL-JTQLQIEISA-N 1 2 266.345 0.946 20 30 CCEDLO C[N@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1CCSC1 ZINC000135560516 389259128 /nfs/dbraw/zinc/25/91/28/389259128.db2.gz GMVAZHCENVQZAX-MRVPVSSYSA-N 1 2 290.352 0.529 20 30 CCEDLO C[N@@H+](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1CCSC1 ZINC000135560516 389259131 /nfs/dbraw/zinc/25/91/31/389259131.db2.gz GMVAZHCENVQZAX-MRVPVSSYSA-N 1 2 290.352 0.529 20 30 CCEDLO C=CCOC[C@@H]([NH2+]CC[C@H]1CCOC1)C(=O)OC ZINC000361113151 389208553 /nfs/dbraw/zinc/20/85/53/389208553.db2.gz KLXQLSUVDHISQI-NWDGAFQWSA-N 1 2 257.330 0.747 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899853 389209252 /nfs/dbraw/zinc/20/92/52/389209252.db2.gz NGOXSMLAIIUTOS-NWDGAFQWSA-N 1 2 294.355 0.365 20 30 CCEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@@H]1COCCO1 ZINC000329899853 389209255 /nfs/dbraw/zinc/20/92/55/389209255.db2.gz NGOXSMLAIIUTOS-NWDGAFQWSA-N 1 2 294.355 0.365 20 30 CCEDLO [O-]C(NC[C@@H]1COCCO1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899853 389209259 /nfs/dbraw/zinc/20/92/59/389209259.db2.gz NGOXSMLAIIUTOS-NWDGAFQWSA-N 1 2 294.355 0.365 20 30 CCEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCOC1 ZINC000329908237 389210829 /nfs/dbraw/zinc/21/08/29/389210829.db2.gz LNXZFMNHUCAPBY-NSHDSACASA-N 1 2 254.330 0.844 20 30 CCEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1CCOCC1 ZINC000329953865 389214568 /nfs/dbraw/zinc/21/45/68/389214568.db2.gz JQRHGQPQFNGDTP-JSGCOSHPSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1CCOCC1 ZINC000329953865 389214572 /nfs/dbraw/zinc/21/45/72/389214572.db2.gz JQRHGQPQFNGDTP-JSGCOSHPSA-N 1 2 298.431 0.551 20 30 CCEDLO C[C@]1(O)CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330057667 389216507 /nfs/dbraw/zinc/21/65/07/389216507.db2.gz XUYPOHPIWXVWLT-GWCFXTLKSA-N 1 2 264.329 0.569 20 30 CCEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCC#N)C[C@@H](C)O1 ZINC000246165707 389224610 /nfs/dbraw/zinc/22/46/10/389224610.db2.gz WRBMBFMDMBJJNV-MGPQQGTHSA-N 1 2 294.399 0.200 20 30 CCEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)NCC#N)C[C@@H](C)O1 ZINC000246165707 389224613 /nfs/dbraw/zinc/22/46/13/389224613.db2.gz WRBMBFMDMBJJNV-MGPQQGTHSA-N 1 2 294.399 0.200 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000361959383 389227064 /nfs/dbraw/zinc/22/70/64/389227064.db2.gz ZGTIFPOHXSEAOL-JTQLQIEISA-N 1 2 297.355 0.414 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000361959383 389227066 /nfs/dbraw/zinc/22/70/66/389227066.db2.gz ZGTIFPOHXSEAOL-JTQLQIEISA-N 1 2 297.355 0.414 20 30 CCEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000247106076 389236100 /nfs/dbraw/zinc/23/61/00/389236100.db2.gz FOOWRWLBYKCXBS-OLZOCXBDSA-N 1 2 251.330 0.903 20 30 CCEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000247106076 389236102 /nfs/dbraw/zinc/23/61/02/389236102.db2.gz FOOWRWLBYKCXBS-OLZOCXBDSA-N 1 2 251.330 0.903 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247467256 389240133 /nfs/dbraw/zinc/24/01/33/389240133.db2.gz UXZGHKLLHWLZEL-YNEHKIRRSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247467256 389240139 /nfs/dbraw/zinc/24/01/39/389240139.db2.gz UXZGHKLLHWLZEL-YNEHKIRRSA-N 1 2 268.357 0.557 20 30 CCEDLO C[C@H](CO)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330548128 389240130 /nfs/dbraw/zinc/24/01/30/389240130.db2.gz VVZZANMVSYWDLY-SSDOTTSWSA-N 1 2 280.250 0.830 20 30 CCEDLO N#Cc1c(F)cccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154242795 389311029 /nfs/dbraw/zinc/31/10/29/389311029.db2.gz JKRBCGPLNFRQSG-LLVKDONJSA-N 1 2 280.299 0.769 20 30 CCEDLO COCCN1CC[N@H+](CCC(C)(C)C#N)CC1=O ZINC000345985005 389319342 /nfs/dbraw/zinc/31/93/42/389319342.db2.gz XIACBGVHLXMKJZ-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO COCCN1CC[N@@H+](CCC(C)(C)C#N)CC1=O ZINC000345985005 389319347 /nfs/dbraw/zinc/31/93/47/389319347.db2.gz XIACBGVHLXMKJZ-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000408384114 389344579 /nfs/dbraw/zinc/34/45/79/389344579.db2.gz YIFYHHARAGLZAP-GRYCIOLGSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000408384114 389344582 /nfs/dbraw/zinc/34/45/82/389344582.db2.gz YIFYHHARAGLZAP-GRYCIOLGSA-N 1 2 252.314 0.943 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000346252376 389325602 /nfs/dbraw/zinc/32/56/02/389325602.db2.gz ZPXDVPKXOGTUCT-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264429974 389327975 /nfs/dbraw/zinc/32/79/75/389327975.db2.gz WRCMQFHKQHXNGM-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264429974 389327979 /nfs/dbraw/zinc/32/79/79/389327979.db2.gz WRCMQFHKQHXNGM-STQMWFEESA-N 1 2 293.411 0.751 20 30 CCEDLO C=C(C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000156813833 389328444 /nfs/dbraw/zinc/32/84/44/389328444.db2.gz XHLLANUTOOUHEY-GFCCVEGCSA-N 1 2 294.399 0.557 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346452179 389329554 /nfs/dbraw/zinc/32/95/54/389329554.db2.gz KCVFLLGMJNCKLJ-LBPRGKRZSA-N 1 2 278.356 0.055 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346452179 389329556 /nfs/dbraw/zinc/32/95/56/389329556.db2.gz KCVFLLGMJNCKLJ-LBPRGKRZSA-N 1 2 278.356 0.055 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000264546537 389334639 /nfs/dbraw/zinc/33/46/39/389334639.db2.gz VAPMGMZQLGMHJS-UHFFFAOYSA-N 1 2 275.352 0.474 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330992506 389275609 /nfs/dbraw/zinc/27/56/09/389275609.db2.gz SWTWMDXARAUNOF-IJLUTSLNSA-N 1 2 296.371 0.619 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330992506 389275611 /nfs/dbraw/zinc/27/56/11/389275611.db2.gz SWTWMDXARAUNOF-IJLUTSLNSA-N 1 2 296.371 0.619 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153399357 389300067 /nfs/dbraw/zinc/30/00/67/389300067.db2.gz DPTCRGMAGSBSFL-RYUDHWBXSA-N 1 2 287.354 0.786 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153399357 389300068 /nfs/dbraw/zinc/30/00/68/389300068.db2.gz DPTCRGMAGSBSFL-RYUDHWBXSA-N 1 2 287.354 0.786 20 30 CCEDLO N#CCCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268298161 389377344 /nfs/dbraw/zinc/37/73/44/389377344.db2.gz LSTQCRKPYOOGBD-UHFFFAOYSA-N 1 2 252.347 0.546 20 30 CCEDLO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000348590788 389384299 /nfs/dbraw/zinc/38/42/99/389384299.db2.gz HKESISURTVDIKW-MNOVXSKESA-N 1 2 290.323 0.321 20 30 CCEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408384550 389344885 /nfs/dbraw/zinc/34/48/85/389344885.db2.gz ZTEOTNIOUSITIN-YPMHNXCESA-N 1 2 290.367 0.101 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421029650 389348975 /nfs/dbraw/zinc/34/89/75/389348975.db2.gz XKKARMWOCHIKSJ-OCCSQVGLSA-N 1 2 265.357 0.859 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421029650 389348980 /nfs/dbraw/zinc/34/89/80/389348980.db2.gz XKKARMWOCHIKSJ-OCCSQVGLSA-N 1 2 265.357 0.859 20 30 CCEDLO C=CCOCC[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000332438537 389352135 /nfs/dbraw/zinc/35/21/35/389352135.db2.gz WOPQCCBKFHMBEB-GHMZBOCLSA-N 1 2 253.302 0.688 20 30 CCEDLO C=CCOCC[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000332438537 389352138 /nfs/dbraw/zinc/35/21/38/389352138.db2.gz WOPQCCBKFHMBEB-GHMZBOCLSA-N 1 2 253.302 0.688 20 30 CCEDLO CN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000172019650 389484180 /nfs/dbraw/zinc/48/41/80/389484180.db2.gz WBCSMUYVZSSUBX-ZDUSSCGKSA-N 1 2 285.351 0.306 20 30 CCEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CC1 ZINC000274120827 389486523 /nfs/dbraw/zinc/48/65/23/389486523.db2.gz GUIVBTDRFXXIQZ-UHFFFAOYSA-N 1 2 289.379 0.165 20 30 CCEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CC1 ZINC000274120827 389486526 /nfs/dbraw/zinc/48/65/26/389486526.db2.gz GUIVBTDRFXXIQZ-UHFFFAOYSA-N 1 2 289.379 0.165 20 30 CCEDLO CNC(=O)NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000172571541 389490313 /nfs/dbraw/zinc/49/03/13/389490313.db2.gz PKNRXNQTDSRTNI-UHFFFAOYSA-N 1 2 252.318 0.600 20 30 CCEDLO CNC(=O)NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000172571541 389490314 /nfs/dbraw/zinc/49/03/14/389490314.db2.gz PKNRXNQTDSRTNI-UHFFFAOYSA-N 1 2 252.318 0.600 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000269581423 389424112 /nfs/dbraw/zinc/42/41/12/389424112.db2.gz KTKGMOXBOWQGAK-ZDUSSCGKSA-N 1 2 258.281 0.993 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372166956 389445322 /nfs/dbraw/zinc/44/53/22/389445322.db2.gz NIFDZXALSKMFQH-QWHCGFSZSA-N 1 2 268.357 0.250 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372166956 389445324 /nfs/dbraw/zinc/44/53/24/389445324.db2.gz NIFDZXALSKMFQH-QWHCGFSZSA-N 1 2 268.357 0.250 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000350697326 389534755 /nfs/dbraw/zinc/53/47/55/389534755.db2.gz YLNUAUHKUAXZGX-UHFFFAOYSA-N 1 2 264.329 0.899 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@H+](CC)C2CC2)n1 ZINC000350697326 389534756 /nfs/dbraw/zinc/53/47/56/389534756.db2.gz YLNUAUHKUAXZGX-UHFFFAOYSA-N 1 2 264.329 0.899 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000281330613 389614222 /nfs/dbraw/zinc/61/42/22/389614222.db2.gz LWTBSEKRBLQTFW-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000281330613 389614226 /nfs/dbraw/zinc/61/42/26/389614226.db2.gz LWTBSEKRBLQTFW-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C)c2C)C1=O ZINC000281381099 389615468 /nfs/dbraw/zinc/61/54/68/389615468.db2.gz WFBIJFVNTHTACG-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C)c2C)C1=O ZINC000281381099 389615471 /nfs/dbraw/zinc/61/54/71/389615471.db2.gz WFBIJFVNTHTACG-CYBMUJFWSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC(C)C)C1=O ZINC000281473855 389617561 /nfs/dbraw/zinc/61/75/61/389617561.db2.gz WBACJOVBDLOBFA-GFCCVEGCSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC(C)C)C1=O ZINC000281473855 389617564 /nfs/dbraw/zinc/61/75/64/389617564.db2.gz WBACJOVBDLOBFA-GFCCVEGCSA-N 1 2 267.373 0.477 20 30 CCEDLO C=CCCn1cc(C(=O)NCc2[nH]c[nH+]c2C)nn1 ZINC000424698885 389629883 /nfs/dbraw/zinc/62/98/83/389629883.db2.gz CZFBUOJGEKSVJQ-UHFFFAOYSA-N 1 2 260.301 0.816 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000281971014 389641077 /nfs/dbraw/zinc/64/10/77/389641077.db2.gz LCFRAKRKDJLOLO-KBPBESRZSA-N 1 2 290.367 0.371 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000281971014 389641079 /nfs/dbraw/zinc/64/10/79/389641079.db2.gz LCFRAKRKDJLOLO-KBPBESRZSA-N 1 2 290.367 0.371 20 30 CCEDLO N#C[C@@H]1COCCN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177113084 389572542 /nfs/dbraw/zinc/57/25/42/389572542.db2.gz KXMHMXSXVMEUSY-CYBMUJFWSA-N 1 2 269.308 0.992 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000426188461 389662844 /nfs/dbraw/zinc/66/28/44/389662844.db2.gz VGQHAYXPRHUWHF-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCCCC#N)CCO1 ZINC000426188461 389662849 /nfs/dbraw/zinc/66/28/49/389662849.db2.gz VGQHAYXPRHUWHF-LBPRGKRZSA-N 1 2 268.361 0.700 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000181242927 389683126 /nfs/dbraw/zinc/68/31/26/389683126.db2.gz DZFDDSDQWNFZMK-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000181242927 389683128 /nfs/dbraw/zinc/68/31/28/389683128.db2.gz DZFDDSDQWNFZMK-NEPJUHHUSA-N 1 2 288.413 0.528 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181246155 389683483 /nfs/dbraw/zinc/68/34/83/389683483.db2.gz NJZYDHMOJDJDHI-SECBINFHSA-N 1 2 281.278 0.604 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181246155 389683485 /nfs/dbraw/zinc/68/34/85/389683485.db2.gz NJZYDHMOJDJDHI-SECBINFHSA-N 1 2 281.278 0.604 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000181307068 389684273 /nfs/dbraw/zinc/68/42/73/389684273.db2.gz SBPSQCROHTVMSY-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000181307068 389684274 /nfs/dbraw/zinc/68/42/74/389684274.db2.gz SBPSQCROHTVMSY-QWRGUYRKSA-N 1 2 274.386 0.186 20 30 CCEDLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000181643359 389690019 /nfs/dbraw/zinc/69/00/19/389690019.db2.gz XBBBMMABTVQOHO-UHFFFAOYSA-N 1 2 281.356 0.680 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374198 389695480 /nfs/dbraw/zinc/69/54/80/389695480.db2.gz NPTUSAXCFCSHRU-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428374198 389695482 /nfs/dbraw/zinc/69/54/82/389695482.db2.gz NPTUSAXCFCSHRU-GHMZBOCLSA-N 1 2 294.380 0.666 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000375738029 389706502 /nfs/dbraw/zinc/70/65/02/389706502.db2.gz JBVNSHAUYSJLTP-NSHDSACASA-N 1 2 294.273 0.716 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000375738029 389706506 /nfs/dbraw/zinc/70/65/06/389706506.db2.gz JBVNSHAUYSJLTP-NSHDSACASA-N 1 2 294.273 0.716 20 30 CCEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416516865 389750837 /nfs/dbraw/zinc/75/08/37/389750837.db2.gz APCABUXIYRNLIN-LBPRGKRZSA-N 1 2 294.380 0.754 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000352414377 389806921 /nfs/dbraw/zinc/80/69/21/389806921.db2.gz UFFVMNZOPOHDKI-ZJUUUORDSA-N 1 2 271.342 0.714 20 30 CCEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2cc[nH+]c(N)c2)c1 ZINC000443473966 389879892 /nfs/dbraw/zinc/87/98/92/389879892.db2.gz HCSLYWGICJUHDI-UHFFFAOYSA-N 1 2 284.275 0.362 20 30 CCEDLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433317869 389908050 /nfs/dbraw/zinc/90/80/50/389908050.db2.gz FIHCURWRKOPFER-VIFPVBQESA-N 1 2 255.318 0.146 20 30 CCEDLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433317869 389908053 /nfs/dbraw/zinc/90/80/53/389908053.db2.gz FIHCURWRKOPFER-VIFPVBQESA-N 1 2 255.318 0.146 20 30 CCEDLO CN(C[C@H](C#N)CCC#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000435537386 389958250 /nfs/dbraw/zinc/95/82/50/389958250.db2.gz WZPCJEWJHZEJIX-KBPBESRZSA-N 1 2 280.372 0.055 20 30 CCEDLO CCN1CCN(C(=O)[C@H](C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000433471561 389915717 /nfs/dbraw/zinc/91/57/17/389915717.db2.gz OXZOPPNLOCOZMZ-MNOVXSKESA-N 1 2 261.329 0.775 20 30 CCEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000420578321 390013843 /nfs/dbraw/zinc/01/38/43/390013843.db2.gz AWNRPYZYDXQQPZ-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)COCC)[C@@H]1CCS(=O)(=O)C1 ZINC000440295706 390034811 /nfs/dbraw/zinc/03/48/11/390034811.db2.gz NQDGAMMIGHRGOW-NEPJUHHUSA-N 1 2 277.386 0.059 20 30 CCEDLO C=CC[N@H+](C[C@H](O)COCC)[C@@H]1CCS(=O)(=O)C1 ZINC000440295706 390034812 /nfs/dbraw/zinc/03/48/12/390034812.db2.gz NQDGAMMIGHRGOW-NEPJUHHUSA-N 1 2 277.386 0.059 20 30 CCEDLO Cc1nc(NCC[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC000488068323 390091460 /nfs/dbraw/zinc/09/14/60/390091460.db2.gz LWZUUCUFAKLKIR-LLVKDONJSA-N 1 2 260.341 0.816 20 30 CCEDLO Cc1nc(NCC[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC000488068323 390091461 /nfs/dbraw/zinc/09/14/61/390091461.db2.gz LWZUUCUFAKLKIR-LLVKDONJSA-N 1 2 260.341 0.816 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491371219 390112529 /nfs/dbraw/zinc/11/25/29/390112529.db2.gz DDRQZQWWURLZTN-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491371219 390112530 /nfs/dbraw/zinc/11/25/30/390112530.db2.gz DDRQZQWWURLZTN-VXGBXAGGSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000491420007 390113223 /nfs/dbraw/zinc/11/32/23/390113223.db2.gz WOKFNLPCKNTFMD-BFHYXJOUSA-N 1 2 285.409 0.660 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000491420007 390113224 /nfs/dbraw/zinc/11/32/24/390113224.db2.gz WOKFNLPCKNTFMD-BFHYXJOUSA-N 1 2 285.409 0.660 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC)CC1 ZINC000491484235 390114094 /nfs/dbraw/zinc/11/40/94/390114094.db2.gz HZBCIWQVBNDFDH-CYBMUJFWSA-N 1 2 289.383 0.905 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CCCN(O)C1=O ZINC000493868122 390130645 /nfs/dbraw/zinc/13/06/45/390130645.db2.gz ICRQBEOUNCJOND-OMMCCPJFSA-N 1 2 278.312 0.413 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C(C)(C)OC)c1C#N ZINC000536300897 390159670 /nfs/dbraw/zinc/15/96/70/390159670.db2.gz UELQXYQTXGLKKK-UHFFFAOYSA-N 1 2 279.344 0.219 20 30 CCEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000541861441 390249667 /nfs/dbraw/zinc/24/96/67/390249667.db2.gz XMLOJAQBZCUJAB-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000543543747 390284092 /nfs/dbraw/zinc/28/40/92/390284092.db2.gz NUDPUFDMOQKKSE-HTQZYQBOSA-N 1 2 281.316 0.429 20 30 CCEDLO COC(=O)NCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496794355 390365338 /nfs/dbraw/zinc/36/53/38/390365338.db2.gz ODSDDGCJPOGKNO-LBPRGKRZSA-N 1 2 270.333 0.083 20 30 CCEDLO C=CCn1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1 ZINC000648224626 390345090 /nfs/dbraw/zinc/34/50/90/390345090.db2.gz RSTDXHUWPFFJSZ-UHFFFAOYSA-N 1 2 260.301 0.470 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016896 390362437 /nfs/dbraw/zinc/36/24/37/390362437.db2.gz VWCJAVKKFUVEPB-GFCCVEGCSA-N 1 2 284.381 0.703 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016896 390362439 /nfs/dbraw/zinc/36/24/39/390362439.db2.gz VWCJAVKKFUVEPB-GFCCVEGCSA-N 1 2 284.381 0.703 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](OC)C(C)C)c1C#N ZINC000547461496 390375686 /nfs/dbraw/zinc/37/56/86/390375686.db2.gz XPGWNHAUYSRIKJ-LBPRGKRZSA-N 1 2 293.371 0.465 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000645264575 390399360 /nfs/dbraw/zinc/39/93/60/390399360.db2.gz FZEBIWNQFUAMCD-HZSPNIEDSA-N 1 2 297.399 0.169 20 30 CCEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(N)=O ZINC000505519266 390463358 /nfs/dbraw/zinc/46/33/58/390463358.db2.gz JJPZPEXPLYINOV-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(N)=O ZINC000505519266 390463360 /nfs/dbraw/zinc/46/33/60/390463360.db2.gz JJPZPEXPLYINOV-LBPRGKRZSA-N 1 2 288.351 0.739 20 30 CCEDLO Cn1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C1CC1 ZINC000519824862 390549359 /nfs/dbraw/zinc/54/93/59/390549359.db2.gz OQJWDZCMTLZWHV-CQSZACIVSA-N 1 2 275.356 0.871 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000566426760 390603343 /nfs/dbraw/zinc/60/33/43/390603343.db2.gz WPAHZLRPIXLPCV-SWLSCSKDSA-N 1 2 292.383 0.349 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000566426760 390603347 /nfs/dbraw/zinc/60/33/47/390603347.db2.gz WPAHZLRPIXLPCV-SWLSCSKDSA-N 1 2 292.383 0.349 20 30 CCEDLO Cc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1C ZINC000567903077 390711590 /nfs/dbraw/zinc/71/15/90/390711590.db2.gz HQUWVSJFAFSWBT-AWEZNQCLSA-N 1 2 275.356 0.976 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000568415135 390713975 /nfs/dbraw/zinc/71/39/75/390713975.db2.gz IGFGEZMUKGRPIM-IUCAKERBSA-N 1 2 250.302 0.492 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]cnc(N)c1OC ZINC000568415135 390713978 /nfs/dbraw/zinc/71/39/78/390713978.db2.gz IGFGEZMUKGRPIM-IUCAKERBSA-N 1 2 250.302 0.492 20 30 CCEDLO C=CCNC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000569255815 390715995 /nfs/dbraw/zinc/71/59/95/390715995.db2.gz HCMLNSXDFSJONQ-ZDUSSCGKSA-N 1 2 267.373 0.085 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000526057776 390674631 /nfs/dbraw/zinc/67/46/31/390674631.db2.gz CMBYIQGCDUBBQT-VXGBXAGGSA-N 1 2 290.367 0.244 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000526057776 390674633 /nfs/dbraw/zinc/67/46/33/390674633.db2.gz CMBYIQGCDUBBQT-VXGBXAGGSA-N 1 2 290.367 0.244 20 30 CCEDLO C=C[C@@H](O)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000646626503 390701379 /nfs/dbraw/zinc/70/13/79/390701379.db2.gz GVHSMHDSXMBDDT-LSDHHAIUSA-N 1 2 290.363 0.723 20 30 CCEDLO N#CCCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528606039 390760775 /nfs/dbraw/zinc/76/07/75/390760775.db2.gz BETLHHBZDDEHLQ-UHFFFAOYSA-N 1 2 257.359 0.400 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491030 390749914 /nfs/dbraw/zinc/74/99/14/390749914.db2.gz PJUBECGWCGQYNC-MNOVXSKESA-N 1 2 251.330 0.204 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC(=O)N1C ZINC000528491030 390749917 /nfs/dbraw/zinc/74/99/17/390749917.db2.gz PJUBECGWCGQYNC-MNOVXSKESA-N 1 2 251.330 0.204 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN(C)c2ncncc2C#N)C[C@H](C)O1 ZINC000578188844 390868936 /nfs/dbraw/zinc/86/89/36/390868936.db2.gz SGEUQHGLLHDJLP-TXEJJXNPSA-N 1 2 275.356 0.894 20 30 CCEDLO C[C@@H]1C[N@H+](CCN(C)c2ncncc2C#N)C[C@H](C)O1 ZINC000578188844 390868937 /nfs/dbraw/zinc/86/89/37/390868937.db2.gz SGEUQHGLLHDJLP-TXEJJXNPSA-N 1 2 275.356 0.894 20 30 CCEDLO CCN1CCN(c2cc(C#N)ncn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530374690 390876551 /nfs/dbraw/zinc/87/65/51/390876551.db2.gz XNRPCNOLJCBHQB-GFCCVEGCSA-N 1 2 283.339 0.955 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nccc(C#N)n2)C1 ZINC000450536323 533505965 /nfs/dbraw/zinc/50/59/65/533505965.db2.gz AJHHOTXOHYHOGC-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nccc(C#N)n2)C1 ZINC000450536323 533505968 /nfs/dbraw/zinc/50/59/68/533505968.db2.gz AJHHOTXOHYHOGC-NSHDSACASA-N 1 2 289.339 0.645 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000268672906 132046766 /nfs/dbraw/zinc/04/67/66/132046766.db2.gz KOFFRNPYYOWHIT-LBPRGKRZSA-N 1 2 261.325 0.014 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000268672906 132046767 /nfs/dbraw/zinc/04/67/67/132046767.db2.gz KOFFRNPYYOWHIT-LBPRGKRZSA-N 1 2 261.325 0.014 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000268672903 132046773 /nfs/dbraw/zinc/04/67/73/132046773.db2.gz KOFFRNPYYOWHIT-GFCCVEGCSA-N 1 2 261.325 0.014 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000268672903 132046774 /nfs/dbraw/zinc/04/67/74/132046774.db2.gz KOFFRNPYYOWHIT-GFCCVEGCSA-N 1 2 261.325 0.014 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCNC3=O)CC2)cc1 ZINC000269276590 132148544 /nfs/dbraw/zinc/14/85/44/132148544.db2.gz MLUUUCZHGKSLAA-OAHLLOKOSA-N 1 2 284.363 0.564 20 30 CCEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCNC3=O)CC2)cc1 ZINC000269276590 132148545 /nfs/dbraw/zinc/14/85/45/132148545.db2.gz MLUUUCZHGKSLAA-OAHLLOKOSA-N 1 2 284.363 0.564 20 30 CCEDLO CN1CCC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000358987316 144189303 /nfs/dbraw/zinc/18/93/03/144189303.db2.gz LUFVRONHLIZLOJ-CHWSQXEVSA-N 1 2 286.335 0.295 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCN4CCOC[C@H]4C3)n2c1 ZINC000371888417 144346956 /nfs/dbraw/zinc/34/69/56/144346956.db2.gz ORQVHLLUEFNWKK-OAHLLOKOSA-N 1 2 297.362 0.722 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCN4CCOC[C@H]4C3)n2c1 ZINC000371888417 144346957 /nfs/dbraw/zinc/34/69/57/144346957.db2.gz ORQVHLLUEFNWKK-OAHLLOKOSA-N 1 2 297.362 0.722 20 30 CCEDLO C=C(C)[C@H](CO)N1CC[NH+](CCOCCOC)CC1 ZINC000649896175 397680901 /nfs/dbraw/zinc/68/09/01/397680901.db2.gz GHKHOALGJXNWTG-AWEZNQCLSA-N 1 2 272.389 0.204 20 30 CCEDLO C=CCOCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660705891 414452454 /nfs/dbraw/zinc/45/24/54/414452454.db2.gz GSZPQDKJRARSHG-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCNC(=O)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660998131 414543093 /nfs/dbraw/zinc/54/30/93/414543093.db2.gz YOKXOLGNAFEOAX-SECBINFHSA-N 1 2 265.317 0.083 20 30 CCEDLO C=CCOCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000661303215 414595463 /nfs/dbraw/zinc/59/54/63/414595463.db2.gz GWQIEOWBCDTOBB-UHFFFAOYSA-N 1 2 266.345 0.855 20 30 CCEDLO CC#CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664703739 415449874 /nfs/dbraw/zinc/44/98/74/415449874.db2.gz KNYMZERYEPIEIQ-ZDUSSCGKSA-N 1 2 265.357 0.516 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCCC#N ZINC000344983242 225238428 /nfs/dbraw/zinc/23/84/28/225238428.db2.gz NSFFKBVHXYMKCD-LLVKDONJSA-N 1 2 270.358 0.885 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1ccccn1 ZINC000347266958 226104769 /nfs/dbraw/zinc/10/47/69/226104769.db2.gz HJPPNAQCCMDSBD-UHFFFAOYSA-N 1 2 262.313 0.170 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1ccccn1 ZINC000347266958 226104772 /nfs/dbraw/zinc/10/47/72/226104772.db2.gz HJPPNAQCCMDSBD-UHFFFAOYSA-N 1 2 262.313 0.170 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347336237 226117406 /nfs/dbraw/zinc/11/74/06/226117406.db2.gz ABZBNVQVEMRLNT-DGCLKSJQSA-N 1 2 283.347 0.734 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347336237 226117409 /nfs/dbraw/zinc/11/74/09/226117409.db2.gz ABZBNVQVEMRLNT-DGCLKSJQSA-N 1 2 283.347 0.734 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NC2CC2)C1 ZINC000329024701 227261922 /nfs/dbraw/zinc/26/19/22/227261922.db2.gz NLFXHTWMFSJKQW-STQMWFEESA-N 1 2 295.383 0.817 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NC2CC2)C1 ZINC000329024701 227261926 /nfs/dbraw/zinc/26/19/26/227261926.db2.gz NLFXHTWMFSJKQW-STQMWFEESA-N 1 2 295.383 0.817 20 30 CCEDLO Cn1cc(C[NH+]2CCN(CC(=O)NCC3CC3)CC2)cn1 ZINC000329103414 227297589 /nfs/dbraw/zinc/29/75/89/227297589.db2.gz CEEKORWHGFKGDY-UHFFFAOYSA-N 1 2 291.399 0.904 20 30 CCEDLO Cn1cc(CN2CC[NH+](CC(=O)NCC3CC3)CC2)cn1 ZINC000329103414 227297596 /nfs/dbraw/zinc/29/75/96/227297596.db2.gz CEEKORWHGFKGDY-UHFFFAOYSA-N 1 2 291.399 0.904 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCC[N@H+]1CCOC[C@H]1C ZINC000188324708 260127590 /nfs/dbraw/zinc/12/75/90/260127590.db2.gz SZBWYAPMFATGSF-SNVBAGLBSA-N 1 2 284.385 0.570 20 30 CCEDLO C=CCn1c(=O)[nH]nc1SCC[N@@H+]1CCOC[C@H]1C ZINC000188324708 260127591 /nfs/dbraw/zinc/12/75/91/260127591.db2.gz SZBWYAPMFATGSF-SNVBAGLBSA-N 1 2 284.385 0.570 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000407978344 260141808 /nfs/dbraw/zinc/14/18/08/260141808.db2.gz YWFHVVVVNPQDNQ-NSHDSACASA-N 1 2 274.390 0.103 20 30 CCEDLO Cn1ncc2c1ncnc2N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000408110394 260236267 /nfs/dbraw/zinc/23/62/67/260236267.db2.gz PJMZQDFRQAYWIN-UHFFFAOYSA-N 1 2 297.366 0.789 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)Nc1cccc(F)c1 ZINC000136073043 260923316 /nfs/dbraw/zinc/92/33/16/260923316.db2.gz WSUJRATTZGDMPF-UHFFFAOYSA-N 1 2 255.249 0.435 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158161311 261160175 /nfs/dbraw/zinc/16/01/75/261160175.db2.gz JHNFUPMHDUXFNA-JTQLQIEISA-N 1 2 287.319 0.396 20 30 CCEDLO C#CC[N@H+](CC#CC)CCN1C(=O)NC2(CCCC2)C1=O ZINC000490713119 261191031 /nfs/dbraw/zinc/19/10/31/261191031.db2.gz HTPQRJQQSJHOJC-UHFFFAOYSA-N 1 2 287.363 0.810 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCN1C(=O)NC2(CCCC2)C1=O ZINC000490713119 261191032 /nfs/dbraw/zinc/19/10/32/261191032.db2.gz HTPQRJQQSJHOJC-UHFFFAOYSA-N 1 2 287.363 0.810 20 30 CCEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CCC1 ZINC000364583955 262254190 /nfs/dbraw/zinc/25/41/90/262254190.db2.gz HCGJRQPNOGZELY-UHFFFAOYSA-N 1 2 279.384 0.752 20 30 CCEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CCC1 ZINC000364583955 262254192 /nfs/dbraw/zinc/25/41/92/262254192.db2.gz HCGJRQPNOGZELY-UHFFFAOYSA-N 1 2 279.384 0.752 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372317619 262266358 /nfs/dbraw/zinc/26/63/58/262266358.db2.gz WZHPHYMLHXFGTG-NSHDSACASA-N 1 2 267.329 0.109 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372317619 262266360 /nfs/dbraw/zinc/26/63/60/262266360.db2.gz WZHPHYMLHXFGTG-NSHDSACASA-N 1 2 267.329 0.109 20 30 CCEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907666 262350679 /nfs/dbraw/zinc/35/06/79/262350679.db2.gz NXLFBNBTAYPUNW-UHFFFAOYSA-N 1 2 266.345 0.846 20 30 CCEDLO CNS(=O)(=O)CCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336677135 262378781 /nfs/dbraw/zinc/37/87/81/262378781.db2.gz AXHMKSIOSBEOGZ-JTQLQIEISA-N 1 2 259.375 0.550 20 30 CCEDLO CNS(=O)(=O)CCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000336677135 262378782 /nfs/dbraw/zinc/37/87/82/262378782.db2.gz AXHMKSIOSBEOGZ-JTQLQIEISA-N 1 2 259.375 0.550 20 30 CCEDLO C[C@H](C#N)CN(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000336804902 262395490 /nfs/dbraw/zinc/39/54/90/262395490.db2.gz NNRZCVWYPPHXIZ-TZMCWYRMSA-N 1 2 267.373 0.304 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587652 262548331 /nfs/dbraw/zinc/54/83/31/262548331.db2.gz KTRCGOPXYADHGF-CMPLNLGQSA-N 1 2 269.320 0.344 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587652 262548333 /nfs/dbraw/zinc/54/83/33/262548333.db2.gz KTRCGOPXYADHGF-CMPLNLGQSA-N 1 2 269.320 0.344 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000279119099 263053153 /nfs/dbraw/zinc/05/31/53/263053153.db2.gz ADZZPTOAYIKRME-OAHLLOKOSA-N 1 2 295.383 0.388 20 30 CCEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284405918 263086818 /nfs/dbraw/zinc/08/68/18/263086818.db2.gz NFUABMBJRBNONX-LLVKDONJSA-N 1 2 269.345 0.879 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340226719 263098153 /nfs/dbraw/zinc/09/81/53/263098153.db2.gz SUWVWTDGXWMDBA-NSHDSACASA-N 1 2 251.330 0.007 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340226719 263098154 /nfs/dbraw/zinc/09/81/54/263098154.db2.gz SUWVWTDGXWMDBA-NSHDSACASA-N 1 2 251.330 0.007 20 30 CCEDLO CO/N=C/C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000289353216 263109525 /nfs/dbraw/zinc/10/95/25/263109525.db2.gz JLGCTMHVAFYXCV-ITTMYVLYSA-N 1 2 270.358 0.254 20 30 CCEDLO Cc1ncc(CO)c(/C=N/[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000298667979 263223403 /nfs/dbraw/zinc/22/34/03/263223403.db2.gz SKKFIJIKYLYXLA-AXLKIAQESA-N 1 2 293.367 0.728 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000341172483 263325427 /nfs/dbraw/zinc/32/54/27/263325427.db2.gz UGSWFIHAHWHEAY-UHFFFAOYSA-N 1 2 277.372 0.138 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416670789 263746629 /nfs/dbraw/zinc/74/66/29/263746629.db2.gz UPYYAEQUCPNNII-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416670789 263746632 /nfs/dbraw/zinc/74/66/32/263746632.db2.gz UPYYAEQUCPNNII-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO CN(C)c1ccc(CNC(=O)N[C@H]2CCCNC2=O)c[nH+]1 ZINC000330418477 263934306 /nfs/dbraw/zinc/93/43/06/263934306.db2.gz DNKHPANCYBYVFJ-NSHDSACASA-N 1 2 291.355 0.430 20 30 CCEDLO N#CCNC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000330672148 264014192 /nfs/dbraw/zinc/01/41/92/264014192.db2.gz XGFWWHMKBPLBKD-UHFFFAOYSA-N 1 2 262.313 0.037 20 30 CCEDLO Cc1c[nH+]ccc1NC(=O)N(C)CCNC(=O)N(C)C ZINC000330701727 264017453 /nfs/dbraw/zinc/01/74/53/264017453.db2.gz NZXACHLKUCJXBB-UHFFFAOYSA-N 1 2 279.344 0.751 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCCCC#N)C1 ZINC000330710582 264021104 /nfs/dbraw/zinc/02/11/04/264021104.db2.gz XIIUDUUQGFSQLF-GFCCVEGCSA-N 1 2 267.377 0.430 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCCC#N)C1 ZINC000330710582 264021106 /nfs/dbraw/zinc/02/11/06/264021106.db2.gz XIIUDUUQGFSQLF-GFCCVEGCSA-N 1 2 267.377 0.430 20 30 CCEDLO CCC(O)(CC)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330757591 264030361 /nfs/dbraw/zinc/03/03/61/264030361.db2.gz ZSPKLRZLPWOGGZ-GFCCVEGCSA-N 1 2 286.420 0.287 20 30 CCEDLO CCC(O)(CC)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330757591 264030363 /nfs/dbraw/zinc/03/03/63/264030363.db2.gz ZSPKLRZLPWOGGZ-GFCCVEGCSA-N 1 2 286.420 0.287 20 30 CCEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000330811406 264044700 /nfs/dbraw/zinc/04/47/00/264044700.db2.gz KKWBIARFINLVKA-CYBMUJFWSA-N 1 2 287.367 0.400 20 30 CCEDLO Cc1cnc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(O)c1 ZINC000330887363 264063732 /nfs/dbraw/zinc/06/37/32/264063732.db2.gz SKQZQJNUHGMGIA-LLVKDONJSA-N 1 2 295.339 0.093 20 30 CCEDLO CCn1nccc1C[N@H+](C)CCNC(=O)N(C)C ZINC000330889725 264063984 /nfs/dbraw/zinc/06/39/84/264063984.db2.gz OLSDIJMTULYMCD-UHFFFAOYSA-N 1 2 253.350 0.810 20 30 CCEDLO CCn1nccc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000330889725 264063987 /nfs/dbraw/zinc/06/39/87/264063987.db2.gz OLSDIJMTULYMCD-UHFFFAOYSA-N 1 2 253.350 0.810 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000330956090 264087322 /nfs/dbraw/zinc/08/73/22/264087322.db2.gz UNVOBASHAYPHHT-VIFPVBQESA-N 1 2 281.312 0.356 20 30 CCEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000330956090 264087324 /nfs/dbraw/zinc/08/73/24/264087324.db2.gz UNVOBASHAYPHHT-VIFPVBQESA-N 1 2 281.312 0.356 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000331258955 264184246 /nfs/dbraw/zinc/18/42/46/264184246.db2.gz GQZPTTPRUTWNFY-QWRGUYRKSA-N 1 2 287.360 0.162 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000331258955 264184249 /nfs/dbraw/zinc/18/42/49/264184249.db2.gz GQZPTTPRUTWNFY-QWRGUYRKSA-N 1 2 287.360 0.162 20 30 CCEDLO N#CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343278465 264319343 /nfs/dbraw/zinc/31/93/43/264319343.db2.gz KDLSNLFFFITWTM-UHFFFAOYSA-N 1 2 260.297 0.167 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000357816195 266371060 /nfs/dbraw/zinc/37/10/60/266371060.db2.gz AMSDBPCARBWQJW-WCQYABFASA-N 1 2 283.397 0.470 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369390597 267239485 /nfs/dbraw/zinc/23/94/85/267239485.db2.gz BXJCFZXMFPBRFM-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369390597 267239487 /nfs/dbraw/zinc/23/94/87/267239487.db2.gz BXJCFZXMFPBRFM-DZGCQCFKSA-N 1 2 295.383 0.628 20 30 CCEDLO Cc1cc(NC[C@H]2CCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000399591438 267299380 /nfs/dbraw/zinc/29/93/80/267299380.db2.gz QSIVZMALLCOJKH-LLVKDONJSA-N 1 2 265.338 0.673 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063388 267740591 /nfs/dbraw/zinc/74/05/91/267740591.db2.gz BMUJCJXCUXQSLE-GARJFASQSA-N 1 2 267.329 0.250 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374063388 267740593 /nfs/dbraw/zinc/74/05/93/267740593.db2.gz BMUJCJXCUXQSLE-GARJFASQSA-N 1 2 267.329 0.250 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329627966 278132157 /nfs/dbraw/zinc/13/21/57/278132157.db2.gz HDEYPVQLQDUZIC-SECBINFHSA-N 1 2 276.340 0.646 20 30 CCEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329627966 278132158 /nfs/dbraw/zinc/13/21/58/278132158.db2.gz HDEYPVQLQDUZIC-SECBINFHSA-N 1 2 276.340 0.646 20 30 CCEDLO CO[C@@](C)(CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000329609564 294064023 /nfs/dbraw/zinc/06/40/23/294064023.db2.gz JBKMZBNUWCMHFO-GUTXKFCHSA-N 1 2 297.399 0.730 20 30 CCEDLO CO[C@@](C)(CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000329609564 294064028 /nfs/dbraw/zinc/06/40/28/294064028.db2.gz JBKMZBNUWCMHFO-GUTXKFCHSA-N 1 2 297.399 0.730 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000570933363 327636517 /nfs/dbraw/zinc/63/65/17/327636517.db2.gz MGCYMFDHIXGLSV-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO O=C1CCC(=O)N1CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000264339306 328158891 /nfs/dbraw/zinc/15/88/91/328158891.db2.gz BUHVVHLHHQYLRX-OVCLIPMQSA-N 1 2 292.291 0.761 20 30 CCEDLO COCc1cccc(CNC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275521984 328215175 /nfs/dbraw/zinc/21/51/75/328215175.db2.gz OOHZREBSQHCPSB-UHFFFAOYSA-N 1 2 295.339 0.120 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000330712883 328469473 /nfs/dbraw/zinc/46/94/73/328469473.db2.gz WMVHJECXOBISIO-JQWIXIFHSA-N 1 2 271.386 0.469 20 30 CCEDLO C#CC[NH+](CC#C)CCNS(=O)(=O)c1ccccc1 ZINC000076185221 328485864 /nfs/dbraw/zinc/48/58/64/328485864.db2.gz IYSIPKQZZHGRCW-UHFFFAOYSA-N 1 2 276.361 0.533 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000291364837 328534110 /nfs/dbraw/zinc/53/41/10/328534110.db2.gz USVLHFWHZLZXNR-SNVBAGLBSA-N 1 2 264.329 0.566 20 30 CCEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557397569 327004403 /nfs/dbraw/zinc/00/44/03/327004403.db2.gz ONDWDKDAELGGFV-VIFPVBQESA-N 1 2 271.280 0.549 20 30 CCEDLO CCC[N@H+](CC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747915 327127472 /nfs/dbraw/zinc/12/74/72/327127472.db2.gz USUBALAYINWTRN-NSHDSACASA-N 1 2 267.289 0.388 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747915 327127474 /nfs/dbraw/zinc/12/74/74/327127474.db2.gz USUBALAYINWTRN-NSHDSACASA-N 1 2 267.289 0.388 20 30 CCEDLO Cn1cc(N2CC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000111209683 327277703 /nfs/dbraw/zinc/27/77/03/327277703.db2.gz NRSOVUFIWVNZPR-CYBMUJFWSA-N 1 2 273.340 0.761 20 30 CCEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(C)C2=O)cc1 ZINC000116267477 327306255 /nfs/dbraw/zinc/30/62/55/327306255.db2.gz YHCXKXKLKXZKHR-LLVKDONJSA-N 1 2 263.297 0.563 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@@H]1CCCO1 ZINC000565051606 327423021 /nfs/dbraw/zinc/42/30/21/327423021.db2.gz NZFUZZMPUSHTSM-WCQYABFASA-N 1 2 253.346 0.906 20 30 CCEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCCNC1=O ZINC000377574430 329019327 /nfs/dbraw/zinc/01/93/27/329019327.db2.gz GQWOHICKRCFXFN-WFASDCNBSA-N 1 2 292.383 0.395 20 30 CCEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCCNC1=O ZINC000377574430 329019329 /nfs/dbraw/zinc/01/93/29/329019329.db2.gz GQWOHICKRCFXFN-WFASDCNBSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377769769 329028816 /nfs/dbraw/zinc/02/88/16/329028816.db2.gz CVLVPGUEEYWTCJ-UHFFFAOYSA-N 1 2 253.327 0.442 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000378569663 329055086 /nfs/dbraw/zinc/05/50/86/329055086.db2.gz LVYTWBLAFSATRC-NSHDSACASA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000378569663 329055088 /nfs/dbraw/zinc/05/50/88/329055088.db2.gz LVYTWBLAFSATRC-NSHDSACASA-N 1 2 297.355 0.416 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525899225 329068842 /nfs/dbraw/zinc/06/88/42/329068842.db2.gz AFWKWVQCVKBOGL-UHFFFAOYSA-N 1 2 284.319 0.960 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000183543075 329248341 /nfs/dbraw/zinc/24/83/41/329248341.db2.gz LFIODDGQBLMBQJ-AGIUHOORSA-N 1 2 285.388 0.332 20 30 CCEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000183789044 329250486 /nfs/dbraw/zinc/25/04/86/329250486.db2.gz REWOFHZXTUKPKT-QWHCGFSZSA-N 1 2 290.367 0.897 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185137239 329266499 /nfs/dbraw/zinc/26/64/99/329266499.db2.gz KBRSLSCKSJYXEQ-CQSZACIVSA-N 1 2 281.356 0.240 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185137239 329266501 /nfs/dbraw/zinc/26/65/01/329266501.db2.gz KBRSLSCKSJYXEQ-CQSZACIVSA-N 1 2 281.356 0.240 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000186077793 329337064 /nfs/dbraw/zinc/33/70/64/329337064.db2.gz CEHALSVKGZQVMV-RYUDHWBXSA-N 1 2 258.325 0.981 20 30 CCEDLO C=CCN(CCOC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000188657828 329371758 /nfs/dbraw/zinc/37/17/58/329371758.db2.gz UWIOGFWRXAGUKY-ZIAGYGMSSA-N 1 2 299.415 0.940 20 30 CCEDLO C#CCOCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000123744878 329562183 /nfs/dbraw/zinc/56/21/83/329562183.db2.gz AEOUESZVFOFBIS-UHFFFAOYSA-N 1 2 284.319 0.923 20 30 CCEDLO CCOC(=O)CCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907038 329678173 /nfs/dbraw/zinc/67/81/73/329678173.db2.gz FDPSWYZHGHYWPP-UHFFFAOYSA-N 1 2 281.356 0.681 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000571687007 329898361 /nfs/dbraw/zinc/89/83/61/329898361.db2.gz BXJWDOYLYKLDTE-CYBMUJFWSA-N 1 2 278.360 0.607 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)C1CC1 ZINC000274155757 330103852 /nfs/dbraw/zinc/10/38/52/330103852.db2.gz LMEDMHNTXJUAKE-ZDUSSCGKSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)C1CC1 ZINC000274155757 330103853 /nfs/dbraw/zinc/10/38/53/330103853.db2.gz LMEDMHNTXJUAKE-ZDUSSCGKSA-N 1 2 291.395 0.601 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000424671297 330443923 /nfs/dbraw/zinc/44/39/23/330443923.db2.gz XDURFPNNPCDHKA-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CC[C@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000450433309 330979269 /nfs/dbraw/zinc/97/92/69/330979269.db2.gz AFPSIFHIRLIBEG-SNVBAGLBSA-N 1 2 258.325 0.864 20 30 CCEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)NCC#N)c1 ZINC000452048974 331052135 /nfs/dbraw/zinc/05/21/35/331052135.db2.gz RDZDFDZMDPVAKJ-UHFFFAOYSA-N 1 2 291.351 0.519 20 30 CCEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)NCC#N)c1 ZINC000452048974 331052136 /nfs/dbraw/zinc/05/21/36/331052136.db2.gz RDZDFDZMDPVAKJ-UHFFFAOYSA-N 1 2 291.351 0.519 20 30 CCEDLO CC(C)(C#N)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456203021 331186442 /nfs/dbraw/zinc/18/64/42/331186442.db2.gz KHUQMLZJNFLUDI-TXEJJXNPSA-N 1 2 265.357 0.906 20 30 CCEDLO CC(C)(C#N)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456203021 331186443 /nfs/dbraw/zinc/18/64/43/331186443.db2.gz KHUQMLZJNFLUDI-TXEJJXNPSA-N 1 2 265.357 0.906 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458796900 331260020 /nfs/dbraw/zinc/26/00/20/331260020.db2.gz OLBTWSOIFIPBEG-OCCSQVGLSA-N 1 2 297.399 0.476 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458796900 331260021 /nfs/dbraw/zinc/26/00/21/331260021.db2.gz OLBTWSOIFIPBEG-OCCSQVGLSA-N 1 2 297.399 0.476 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742512 332112356 /nfs/dbraw/zinc/11/23/56/332112356.db2.gz YKKUQKZNLIFOAD-UPJWGTAASA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742512 332112357 /nfs/dbraw/zinc/11/23/57/332112357.db2.gz YKKUQKZNLIFOAD-UPJWGTAASA-N 1 2 271.382 0.676 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)[C@@H](C)O)CC1 ZINC000490800001 332116333 /nfs/dbraw/zinc/11/63/33/332116333.db2.gz KRHXMWMHJDOWHP-VXGBXAGGSA-N 1 2 270.398 0.266 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000490838529 332119128 /nfs/dbraw/zinc/11/91/28/332119128.db2.gz CFYHWRHOHWVWDV-RYUDHWBXSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCOC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000490838529 332119130 /nfs/dbraw/zinc/11/91/30/332119130.db2.gz CFYHWRHOHWVWDV-RYUDHWBXSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CC[N@@H+](CC#CC)C[C@@H]1CCCS(=O)(=O)C1 ZINC000491210529 332167222 /nfs/dbraw/zinc/16/72/22/332167222.db2.gz VORWMFUMBVNMIU-ZDUSSCGKSA-N 1 2 253.367 0.770 20 30 CCEDLO C#CC[N@H+](CC#CC)C[C@@H]1CCCS(=O)(=O)C1 ZINC000491210529 332167224 /nfs/dbraw/zinc/16/72/24/332167224.db2.gz VORWMFUMBVNMIU-ZDUSSCGKSA-N 1 2 253.367 0.770 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C)CC1 ZINC000491429686 332210368 /nfs/dbraw/zinc/21/03/68/332210368.db2.gz VIGUEPUDTOOZQF-UHFFFAOYSA-N 1 2 263.345 0.107 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491507808 332225728 /nfs/dbraw/zinc/22/57/28/332225728.db2.gz XERIULYXBMMYHW-MELADBBJSA-N 1 2 295.383 0.139 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491741412 332320273 /nfs/dbraw/zinc/32/02/73/332320273.db2.gz FRTKWVDKUBNPPB-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491778670 332343715 /nfs/dbraw/zinc/34/37/15/332343715.db2.gz HTNKSXUHEKXLGP-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491778670 332343716 /nfs/dbraw/zinc/34/37/16/332343716.db2.gz HTNKSXUHEKXLGP-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CCNC(=O)CC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000491783342 332346915 /nfs/dbraw/zinc/34/69/15/332346915.db2.gz NQRCQUAXBSTFPP-UHFFFAOYSA-N 1 2 293.323 0.425 20 30 CCEDLO C#CC[N@H+](CC#CC)CCN1C(=O)NC(C)(C)C1=O ZINC000491788528 332350671 /nfs/dbraw/zinc/35/06/71/332350671.db2.gz XVDLBIAMVXAJQS-UHFFFAOYSA-N 1 2 261.325 0.275 20 30 CCEDLO C#CC[N@@H+](CC#CC)CCN1C(=O)NC(C)(C)C1=O ZINC000491788528 332350672 /nfs/dbraw/zinc/35/06/72/332350672.db2.gz XVDLBIAMVXAJQS-UHFFFAOYSA-N 1 2 261.325 0.275 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000491801601 332355764 /nfs/dbraw/zinc/35/57/64/332355764.db2.gz CZRJYBFFZUUDIT-AWEZNQCLSA-N 1 2 297.358 0.879 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000491801601 332355765 /nfs/dbraw/zinc/35/57/65/332355765.db2.gz CZRJYBFFZUUDIT-AWEZNQCLSA-N 1 2 297.358 0.879 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819304 332369328 /nfs/dbraw/zinc/36/93/28/332369328.db2.gz STFUYOFVJGPVLA-TZMCWYRMSA-N 1 2 295.408 0.870 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000491819304 332369329 /nfs/dbraw/zinc/36/93/29/332369329.db2.gz STFUYOFVJGPVLA-TZMCWYRMSA-N 1 2 295.408 0.870 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000575799984 335116391 /nfs/dbraw/zinc/11/63/91/335116391.db2.gz YHUFHYOAEATOID-UHFFFAOYSA-N 1 2 293.392 0.830 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000193341747 333248282 /nfs/dbraw/zinc/24/82/82/333248282.db2.gz KOGFFMNIWTVUHI-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000193341747 333248283 /nfs/dbraw/zinc/24/82/83/333248283.db2.gz KOGFFMNIWTVUHI-UHFFFAOYSA-N 1 2 295.383 0.679 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)C#N ZINC000538110053 333574166 /nfs/dbraw/zinc/57/41/66/333574166.db2.gz DKYWYAZHQOHUBC-QMMMGPOBSA-N 1 2 262.269 0.305 20 30 CCEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000539432007 333671056 /nfs/dbraw/zinc/67/10/56/333671056.db2.gz JXMNQEBMIRDYJY-VHSXEESVSA-N 1 2 260.297 0.581 20 30 CCEDLO Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc2[nH+]1 ZINC000540312233 333724402 /nfs/dbraw/zinc/72/44/02/333724402.db2.gz LEFRGVWKQSSPSK-SECBINFHSA-N 1 2 285.307 0.857 20 30 CCEDLO Cc1cccn2cc(CC(=O)N[C@@]3(C#N)CCOC3)[nH+]c12 ZINC000548140166 334142139 /nfs/dbraw/zinc/14/21/39/334142139.db2.gz PFHJJTZRFFWZSZ-OAHLLOKOSA-N 1 2 284.319 0.984 20 30 CCEDLO N#CC1(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000548351480 334151644 /nfs/dbraw/zinc/15/16/44/334151644.db2.gz IBNOEJBSBWRXHZ-ZDUSSCGKSA-N 1 2 277.368 0.642 20 30 CCEDLO N#CC1(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000548351476 334151650 /nfs/dbraw/zinc/15/16/50/334151650.db2.gz IBNOEJBSBWRXHZ-CYBMUJFWSA-N 1 2 277.368 0.642 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248886920 334320825 /nfs/dbraw/zinc/32/08/25/334320825.db2.gz REPKTMBBBGOPHJ-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248886920 334320827 /nfs/dbraw/zinc/32/08/27/334320827.db2.gz REPKTMBBBGOPHJ-CHWSQXEVSA-N 1 2 250.342 0.721 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249556707 334336476 /nfs/dbraw/zinc/33/64/76/334336476.db2.gz KBFCUJXYGDLPGS-UPJWGTAASA-N 1 2 294.399 0.580 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249556707 334336477 /nfs/dbraw/zinc/33/64/77/334336477.db2.gz KBFCUJXYGDLPGS-UPJWGTAASA-N 1 2 294.399 0.580 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000565605817 334579116 /nfs/dbraw/zinc/57/91/16/334579116.db2.gz AVQLKERYXCDAGP-CQSZACIVSA-N 1 2 281.356 0.587 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343539538 335208704 /nfs/dbraw/zinc/20/87/04/335208704.db2.gz UUBBCBGPCREIOJ-KGLIPLIRSA-N 1 2 274.320 0.861 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343539538 335208706 /nfs/dbraw/zinc/20/87/06/335208706.db2.gz UUBBCBGPCREIOJ-KGLIPLIRSA-N 1 2 274.320 0.861 20 30 CCEDLO C=CCNC(=O)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000180706880 335618769 /nfs/dbraw/zinc/61/87/69/335618769.db2.gz SNUMFGJKCKDBFZ-UHFFFAOYSA-N 1 2 293.371 0.641 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000581259336 336033616 /nfs/dbraw/zinc/03/36/16/336033616.db2.gz HGIPMIBTVOUPCH-SECBINFHSA-N 1 2 254.334 0.893 20 30 CCEDLO COc1cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)ccc1C#N ZINC000449779550 533812624 /nfs/dbraw/zinc/81/26/24/533812624.db2.gz XWRHKMYRYNUZID-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C[N@H+]2CCOC[C@H]2CC(N)=O)ccc1C#N ZINC000449779550 533812637 /nfs/dbraw/zinc/81/26/37/533812637.db2.gz XWRHKMYRYNUZID-CYBMUJFWSA-N 1 2 289.335 0.643 20 30 CCEDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C#N)cn1 ZINC000425236230 533898296 /nfs/dbraw/zinc/89/82/96/533898296.db2.gz POFXZXYQCULDPU-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO Cc1cc(NCCS(=O)(=O)NC(C)C)c(C#N)c[nH+]1 ZINC000425233445 534031433 /nfs/dbraw/zinc/03/14/33/534031433.db2.gz YJEFRNJRNXCTGH-UHFFFAOYSA-N 1 2 282.369 0.423 20 30 CCEDLO C=C(C)CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000458994966 545098122 /nfs/dbraw/zinc/09/81/22/545098122.db2.gz GLFLECXVLMHRHC-UHFFFAOYSA-N 1 2 285.388 0.289 20 30 CCEDLO CCCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000563220431 517621183 /nfs/dbraw/zinc/62/11/83/517621183.db2.gz NWHVRLFJMROTET-ZDUSSCGKSA-N 1 2 263.345 0.867 20 30 CCEDLO Cc1nc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)cc[nH+]1 ZINC000185062206 518193332 /nfs/dbraw/zinc/19/33/32/518193332.db2.gz COGUCHKFXHXQQW-NSHDSACASA-N 1 2 288.355 0.776 20 30 CCEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000329968958 534761691 /nfs/dbraw/zinc/76/16/91/534761691.db2.gz UFCNQWBDIDXSJC-NMKXLXIOSA-N 1 2 288.351 0.809 20 30 CCEDLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1nc(C#N)cs1 ZINC000309327692 524838942 /nfs/dbraw/zinc/83/89/42/524838942.db2.gz GYHZWSMQAOERKC-ZETCQYMHSA-N 1 2 259.356 0.537 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000665945293 545110423 /nfs/dbraw/zinc/11/04/23/545110423.db2.gz HNWNWPAMXJWHFL-UHFFFAOYSA-N 1 2 296.415 0.758 20 30 CCEDLO C=CCNC(=O)C[NH2+]C(C)(C)c1cc(C(=O)OC)on1 ZINC000351997105 526569001 /nfs/dbraw/zinc/56/90/01/526569001.db2.gz QSTDTARPRNGIMV-UHFFFAOYSA-N 1 2 281.312 0.588 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349106557 526613243 /nfs/dbraw/zinc/61/32/43/526613243.db2.gz YOPQGYNEHNKPIN-STQMWFEESA-N 1 2 295.362 0.818 20 30 CCEDLO C=CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349106557 526613247 /nfs/dbraw/zinc/61/32/47/526613247.db2.gz YOPQGYNEHNKPIN-STQMWFEESA-N 1 2 295.362 0.818 20 30 CCEDLO N#Cc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(Cl)c1 ZINC000236529617 526617486 /nfs/dbraw/zinc/61/74/86/526617486.db2.gz GZRYKZPWIIEYOX-VXGBXAGGSA-N 1 2 252.701 0.749 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000346337060 526788685 /nfs/dbraw/zinc/78/86/85/526788685.db2.gz MSBCMSPQAWQAPY-MJBXVCDLSA-N 1 2 279.384 0.084 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666514997 545124669 /nfs/dbraw/zinc/12/46/69/545124669.db2.gz NKBAZAAZGPBSND-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO C=CCOCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666514997 545124670 /nfs/dbraw/zinc/12/46/70/545124670.db2.gz NKBAZAAZGPBSND-OKILXGFUSA-N 1 2 297.399 0.742 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000354809075 529347208 /nfs/dbraw/zinc/34/72/08/529347208.db2.gz AYKARLISYOKUHD-WCQYABFASA-N 1 2 253.346 0.451 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000354809075 529347209 /nfs/dbraw/zinc/34/72/09/529347209.db2.gz AYKARLISYOKUHD-WCQYABFASA-N 1 2 253.346 0.451 20 30 CCEDLO COCC#CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000677819354 545373642 /nfs/dbraw/zinc/37/36/42/545373642.db2.gz ZAQDSNVWLAJJQP-LBPRGKRZSA-N 1 2 257.355 0.288 20 30 CCEDLO COCC#CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000677819354 545373643 /nfs/dbraw/zinc/37/36/43/545373643.db2.gz ZAQDSNVWLAJJQP-LBPRGKRZSA-N 1 2 257.355 0.288 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884730 545375532 /nfs/dbraw/zinc/37/55/32/545375532.db2.gz SNODPAIZVQVOHM-ZDUSSCGKSA-N 1 2 281.400 0.986 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884730 545375533 /nfs/dbraw/zinc/37/55/33/545375533.db2.gz SNODPAIZVQVOHM-ZDUSSCGKSA-N 1 2 281.400 0.986 20 30 CCEDLO CN1CCC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000358987328 536388248 /nfs/dbraw/zinc/38/82/48/536388248.db2.gz LUFVRONHLIZLOJ-STQMWFEESA-N 1 2 286.335 0.295 20 30 CCEDLO C=CC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000680463705 545429247 /nfs/dbraw/zinc/42/92/47/545429247.db2.gz COWZPGCWKNFYHK-SNVBAGLBSA-N 1 2 273.296 0.329 20 30 CCEDLO CCCN1CC[N@H+](CC#CCOC)C(C)(C)C1=O ZINC000681709293 545459989 /nfs/dbraw/zinc/45/99/89/545459989.db2.gz DXIMEJXVHDAHPI-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO CCCN1CC[N@@H+](CC#CCOC)C(C)(C)C1=O ZINC000681709293 545459990 /nfs/dbraw/zinc/45/99/90/545459990.db2.gz DXIMEJXVHDAHPI-UHFFFAOYSA-N 1 2 252.358 0.969 20 30 CCEDLO COCC#CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000682220492 545475825 /nfs/dbraw/zinc/47/58/25/545475825.db2.gz QHSWEJKPEDAQIV-QWHCGFSZSA-N 1 2 251.326 0.706 20 30 CCEDLO COCC#CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000682220492 545475826 /nfs/dbraw/zinc/47/58/26/545475826.db2.gz QHSWEJKPEDAQIV-QWHCGFSZSA-N 1 2 251.326 0.706 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(O)CCSC1 ZINC000328973975 581112766 /nfs/dbraw/zinc/11/27/66/581112766.db2.gz PNFPUVOXGZMVGE-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO Cn1cc[nH+]c1CN=Nc1cc(Cl)nc(N)n1 ZINC000778544987 581159382 /nfs/dbraw/zinc/15/93/82/581159382.db2.gz JYJLQDCIZALYFL-UHFFFAOYSA-N 1 2 251.681 0.892 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)nc1 ZINC000790136837 581178157 /nfs/dbraw/zinc/17/81/57/581178157.db2.gz RZXFBOWONTWOJQ-ZDUSSCGKSA-N 1 2 287.363 0.856 20 30 CCEDLO Cn1cc[nH+]c1NN=Cc1ccc(OCC(N)=O)cc1 ZINC000790305216 581183339 /nfs/dbraw/zinc/18/33/39/581183339.db2.gz FNKSBTATQSXOLD-UHFFFAOYSA-N 1 2 273.296 0.730 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)c[nH]1 ZINC000779560577 581191388 /nfs/dbraw/zinc/19/13/88/581191388.db2.gz DYFQLZTUGFDDIW-LLVKDONJSA-N 1 2 287.279 0.054 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000791327475 581215036 /nfs/dbraw/zinc/21/50/36/581215036.db2.gz LWHAGUDLHZLLGI-UHFFFAOYSA-N 1 2 279.340 0.484 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000792396917 581260786 /nfs/dbraw/zinc/26/07/86/581260786.db2.gz BMHWOGZJNMMNLU-UHFFFAOYSA-N 1 2 275.356 0.296 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000792396917 581260787 /nfs/dbraw/zinc/26/07/87/581260787.db2.gz BMHWOGZJNMMNLU-UHFFFAOYSA-N 1 2 275.356 0.296 20 30 CCEDLO C#CCNC(=O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000792396917 581260790 /nfs/dbraw/zinc/26/07/90/581260790.db2.gz BMHWOGZJNMMNLU-UHFFFAOYSA-N 1 2 275.356 0.296 20 30 CCEDLO C#CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000781343372 581265638 /nfs/dbraw/zinc/26/56/38/581265638.db2.gz OWSYADQWLUBUDQ-UHFFFAOYSA-N 1 2 285.347 0.922 20 30 CCEDLO COC(=O)c1ncn(C[NH+]2CCC(CC#N)CC2)n1 ZINC000781572166 581271760 /nfs/dbraw/zinc/27/17/60/581271760.db2.gz MYHVIBBIGGGOKU-UHFFFAOYSA-N 1 2 263.301 0.648 20 30 CCEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1cnc(N)nc1 ZINC000781594380 581272775 /nfs/dbraw/zinc/27/27/75/581272775.db2.gz KRLFVICKLFUOPG-UHFFFAOYSA-N 1 2 291.336 0.908 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000106331516 581296534 /nfs/dbraw/zinc/29/65/34/581296534.db2.gz DMERHHOJZMGIMP-LBPRGKRZSA-N 1 2 289.339 0.582 20 30 CCEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(F)cc1 ZINC000727488249 581321102 /nfs/dbraw/zinc/32/11/02/581321102.db2.gz MSDTYVVMNBCTMP-VIFPVBQESA-N 1 2 253.233 0.571 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796330409 581353065 /nfs/dbraw/zinc/35/30/65/581353065.db2.gz CUYVSUMIMYCRPL-UWVGGRQHSA-N 1 2 293.289 0.509 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796330409 581353067 /nfs/dbraw/zinc/35/30/67/581353067.db2.gz CUYVSUMIMYCRPL-UWVGGRQHSA-N 1 2 293.289 0.509 20 30 CCEDLO C#CCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000783735933 581357375 /nfs/dbraw/zinc/35/73/75/581357375.db2.gz QDVGVEHFHKTCGR-UHFFFAOYSA-N 1 2 250.302 0.222 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCCC#N)c1nnc2ccccn21 ZINC000795177102 581400769 /nfs/dbraw/zinc/40/07/69/581400769.db2.gz LSTNQBNNGWBTCY-JTQLQIEISA-N 1 2 272.312 0.410 20 30 CCEDLO C=C[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)C(=O)OC ZINC000795340973 581404472 /nfs/dbraw/zinc/40/44/72/581404472.db2.gz ZVICKYNTKJUEQI-NSHDSACASA-N 1 2 270.329 0.782 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@](F)(C#N)C2)C1 ZINC000786108400 581431214 /nfs/dbraw/zinc/43/12/14/581431214.db2.gz QJLKDMBVYYWXCK-RISCZKNCSA-N 1 2 291.330 0.631 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C1CC1 ZINC000786959328 581454454 /nfs/dbraw/zinc/45/44/54/581454454.db2.gz KIYMJLSRWNVLAN-JSGCOSHPSA-N 1 2 299.378 0.644 20 30 CCEDLO C=CCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786993540 581455373 /nfs/dbraw/zinc/45/53/73/581455373.db2.gz NJMMXJPYASRTAU-CYBMUJFWSA-N 1 2 296.367 0.429 20 30 CCEDLO C#CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000754029808 581571702 /nfs/dbraw/zinc/57/17/02/581571702.db2.gz QEFDSCGGXDYRDP-UHFFFAOYSA-N 1 2 291.395 0.460 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000754372958 581588391 /nfs/dbraw/zinc/58/83/91/581588391.db2.gz DFJXNECCMCSBMR-UHFFFAOYSA-N 1 2 258.325 0.484 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000740478281 581685160 /nfs/dbraw/zinc/68/51/60/581685160.db2.gz KHMGWTONUUGJPC-LBPRGKRZSA-N 1 2 285.413 0.373 20 30 CCEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000740478281 581685161 /nfs/dbraw/zinc/68/51/61/581685161.db2.gz KHMGWTONUUGJPC-LBPRGKRZSA-N 1 2 285.413 0.373 20 30 CCEDLO CC[N@H+](CCC(=O)OC)Cn1ccc(C)c(C#N)c1=O ZINC000758220884 581728064 /nfs/dbraw/zinc/72/80/64/581728064.db2.gz CWOHUTSAYPJVNL-UHFFFAOYSA-N 1 2 277.324 0.871 20 30 CCEDLO CC[N@@H+](CCC(=O)OC)Cn1ccc(C)c(C#N)c1=O ZINC000758220884 581728065 /nfs/dbraw/zinc/72/80/65/581728065.db2.gz CWOHUTSAYPJVNL-UHFFFAOYSA-N 1 2 277.324 0.871 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000754182065 581729838 /nfs/dbraw/zinc/72/98/38/581729838.db2.gz AAGOSKQBVSDFNW-UHFFFAOYSA-N 1 2 285.347 0.105 20 30 CCEDLO COCC1(O)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758243237 581731792 /nfs/dbraw/zinc/73/17/92/581731792.db2.gz OIFTWZBJJJFRRF-UHFFFAOYSA-N 1 2 277.324 0.151 20 30 CCEDLO COCCCOCC[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758250709 581732621 /nfs/dbraw/zinc/73/26/21/581732621.db2.gz YZNXLFCUUWLHAH-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO COCCCOCC[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758250709 581732622 /nfs/dbraw/zinc/73/26/22/581732622.db2.gz YZNXLFCUUWLHAH-UHFFFAOYSA-N 1 2 279.340 0.662 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000742184189 581770326 /nfs/dbraw/zinc/77/03/26/581770326.db2.gz TYOATOFAIGSHCK-FQEVSTJZSA-N 1 2 297.424 0.593 20 30 CCEDLO CC(=NNCC(N)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000758899635 581775392 /nfs/dbraw/zinc/77/53/92/581775392.db2.gz ZXBFXZNNFXCYMH-UHFFFAOYSA-N 1 2 257.297 0.671 20 30 CCEDLO C=CCNC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731909931 581789677 /nfs/dbraw/zinc/78/96/77/581789677.db2.gz XCQZRVCVOUJQPU-UHFFFAOYSA-N 1 2 259.265 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000732055711 581799641 /nfs/dbraw/zinc/79/96/41/581799641.db2.gz DFOUOYAEFMLTGZ-AWEZNQCLSA-N 1 2 296.334 0.698 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000732055711 581799645 /nfs/dbraw/zinc/79/96/45/581799645.db2.gz DFOUOYAEFMLTGZ-AWEZNQCLSA-N 1 2 296.334 0.698 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)C1CC1 ZINC000771640536 581814732 /nfs/dbraw/zinc/81/47/32/581814732.db2.gz OLXIYBHXLYQHMP-UHFFFAOYSA-N 1 2 265.313 0.794 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)C1CC1 ZINC000771640536 581814733 /nfs/dbraw/zinc/81/47/33/581814733.db2.gz OLXIYBHXLYQHMP-UHFFFAOYSA-N 1 2 265.313 0.794 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745085685 581865053 /nfs/dbraw/zinc/86/50/53/581865053.db2.gz BKFURJWWILPGKN-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745085685 581865054 /nfs/dbraw/zinc/86/50/54/581865054.db2.gz BKFURJWWILPGKN-LLVKDONJSA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000745103101 581865860 /nfs/dbraw/zinc/86/58/60/581865860.db2.gz ZRJGDPFGXKBAIH-HNNXBMFYSA-N 1 2 288.347 0.972 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000745103101 581865861 /nfs/dbraw/zinc/86/58/61/581865861.db2.gz ZRJGDPFGXKBAIH-HNNXBMFYSA-N 1 2 288.347 0.972 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773980225 581950976 /nfs/dbraw/zinc/95/09/76/581950976.db2.gz PAEOXFYSNMFACY-WDEREUQCSA-N 1 2 281.381 0.435 20 30 CCEDLO C=CCNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773980225 581950978 /nfs/dbraw/zinc/95/09/78/581950978.db2.gz PAEOXFYSNMFACY-WDEREUQCSA-N 1 2 281.381 0.435 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000747823385 581953904 /nfs/dbraw/zinc/95/39/04/581953904.db2.gz BKXHXXSJWUCHIQ-UHFFFAOYSA-N 1 2 266.326 0.242 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000775792823 582038694 /nfs/dbraw/zinc/03/86/94/582038694.db2.gz SZBNWGPDMJOQTN-KGLIPLIRSA-N 1 2 283.335 0.933 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000776129777 582053424 /nfs/dbraw/zinc/05/34/24/582053424.db2.gz WBTDHPADIOHUOX-RDBSUJKOSA-N 1 2 295.383 0.187 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000776129777 582053425 /nfs/dbraw/zinc/05/34/25/582053425.db2.gz WBTDHPADIOHUOX-RDBSUJKOSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1ccccc1C ZINC000751126296 582070869 /nfs/dbraw/zinc/07/08/69/582070869.db2.gz KUSFMRRMINPFSW-UHFFFAOYSA-N 1 2 259.309 0.785 20 30 CCEDLO C=C(Br)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932964292 613235502 /nfs/dbraw/zinc/23/55/02/613235502.db2.gz YJWCRTMIMOTLSX-MRVPVSSYSA-N 1 2 283.191 0.505 20 30 CCEDLO C=C(Br)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932964292 613235503 /nfs/dbraw/zinc/23/55/03/613235503.db2.gz YJWCRTMIMOTLSX-MRVPVSSYSA-N 1 2 283.191 0.505 20 30 CCEDLO C#CCOCC[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000851713162 612983662 /nfs/dbraw/zinc/98/36/62/612983662.db2.gz YTXNQRRLICXWFC-UHFFFAOYSA-N 1 2 267.373 0.716 20 30 CCEDLO C#CCSCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000895894123 613009681 /nfs/dbraw/zinc/00/96/81/613009681.db2.gz JJAIORSTRRDKGQ-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C#CCSCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000895894123 613009683 /nfs/dbraw/zinc/00/96/83/613009683.db2.gz JJAIORSTRRDKGQ-UHFFFAOYSA-N 1 2 297.424 0.023 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933263634 612948171 /nfs/dbraw/zinc/94/81/71/612948171.db2.gz OUSYHQACEOALLJ-LLVKDONJSA-N 1 2 260.341 0.399 20 30 CCEDLO C#CCSCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000154392461 613017335 /nfs/dbraw/zinc/01/73/35/613017335.db2.gz AQTWLLMTTDEWBJ-STQMWFEESA-N 1 2 299.440 0.761 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043162 612950206 /nfs/dbraw/zinc/95/02/06/612950206.db2.gz FTOIIAFSQNPCPA-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880043162 612950208 /nfs/dbraw/zinc/95/02/08/612950208.db2.gz FTOIIAFSQNPCPA-UWVGGRQHSA-N 1 2 278.274 0.778 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812234 617179836 /nfs/dbraw/zinc/17/98/36/617179836.db2.gz TZUCSPKLTPCXAI-CHWSQXEVSA-N 1 2 265.401 0.786 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812234 617179837 /nfs/dbraw/zinc/17/98/37/617179837.db2.gz TZUCSPKLTPCXAI-CHWSQXEVSA-N 1 2 265.401 0.786 20 30 CCEDLO C#CC1(O)CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000931142970 612952919 /nfs/dbraw/zinc/95/29/19/612952919.db2.gz CHWAJRBQNBCBKV-JTQLQIEISA-N 1 2 290.285 0.610 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000859121053 613050247 /nfs/dbraw/zinc/05/02/47/613050247.db2.gz QRAALXQGBFJYND-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000859121053 613050248 /nfs/dbraw/zinc/05/02/48/613050248.db2.gz QRAALXQGBFJYND-UHFFFAOYSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000858141843 613051550 /nfs/dbraw/zinc/05/15/50/613051550.db2.gz SALFZRJSCUHYKI-ZIAGYGMSSA-N 1 2 297.399 0.435 20 30 CCEDLO C#CCC[C@@H](O)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000853569449 613059718 /nfs/dbraw/zinc/05/97/18/613059718.db2.gz VBDCEJUFYSTDKR-GFCCVEGCSA-N 1 2 262.309 0.983 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015174 617297654 /nfs/dbraw/zinc/29/76/54/617297654.db2.gz XIHSPIPGUAUDSM-RWMBFGLXSA-N 1 2 286.397 0.672 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015174 617297656 /nfs/dbraw/zinc/29/76/56/617297656.db2.gz XIHSPIPGUAUDSM-RWMBFGLXSA-N 1 2 286.397 0.672 20 30 CCEDLO C#CC1(O)CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1 ZINC000931144386 612952090 /nfs/dbraw/zinc/95/20/90/612952090.db2.gz XJCDLPNTGCWREH-UHFFFAOYSA-N 1 2 278.274 0.467 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898893489 612967705 /nfs/dbraw/zinc/96/77/05/612967705.db2.gz DCGPAXXJUFGWOM-GFCCVEGCSA-N 1 2 259.309 0.233 20 30 CCEDLO C#CCC(CC#C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000803698900 612968285 /nfs/dbraw/zinc/96/82/85/612968285.db2.gz ICUYYHOEJCUEOQ-CYBMUJFWSA-N 1 2 263.337 0.913 20 30 CCEDLO C#CCOCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859600716 612984694 /nfs/dbraw/zinc/98/46/94/612984694.db2.gz IIOSTBOTEUGENK-RYUDHWBXSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCOCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000859600716 612984696 /nfs/dbraw/zinc/98/46/96/612984696.db2.gz IIOSTBOTEUGENK-RYUDHWBXSA-N 1 2 283.324 0.063 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000853983605 612987123 /nfs/dbraw/zinc/98/71/23/612987123.db2.gz HSEUGYKVTHZRHT-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCOCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000853983605 612987125 /nfs/dbraw/zinc/98/71/25/612987125.db2.gz HSEUGYKVTHZRHT-OLZOCXBDSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C[C@]2(CCCOC2)C1=O ZINC000902318122 612989174 /nfs/dbraw/zinc/98/91/74/612989174.db2.gz NFOCJIGABKWENJ-HNNXBMFYSA-N 1 2 280.368 0.555 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C[C@]2(CCCOC2)C1=O ZINC000902318122 612989175 /nfs/dbraw/zinc/98/91/75/612989175.db2.gz NFOCJIGABKWENJ-HNNXBMFYSA-N 1 2 280.368 0.555 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2COCCN2CC)C1 ZINC000950681417 612991381 /nfs/dbraw/zinc/99/13/81/612991381.db2.gz MJIUWTZYVYFBPP-OAHLLOKOSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3cc[nH]c23)C1 ZINC000957324943 612992779 /nfs/dbraw/zinc/99/27/79/612992779.db2.gz YXVZJYWMNDMMMH-UHFFFAOYSA-N 1 2 285.351 0.832 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2conc2COC)C1 ZINC000957124935 612992875 /nfs/dbraw/zinc/99/28/75/612992875.db2.gz XRFRTNMNQJKBFS-UHFFFAOYSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000823081625 612996072 /nfs/dbraw/zinc/99/60/72/612996072.db2.gz YKYWNMYZQMCZSH-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000823081625 612996074 /nfs/dbraw/zinc/99/60/74/612996074.db2.gz YKYWNMYZQMCZSH-LBPRGKRZSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000865086534 613009973 /nfs/dbraw/zinc/00/99/73/613009973.db2.gz WRPPURRUIMRIEC-OAHLLOKOSA-N 1 2 275.352 0.474 20 30 CCEDLO C#CCSCC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000889858280 613010207 /nfs/dbraw/zinc/01/02/07/613010207.db2.gz CLSHGEVCCCNKTO-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000889858280 613010208 /nfs/dbraw/zinc/01/02/08/613010208.db2.gz CLSHGEVCCCNKTO-GFCCVEGCSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC000857852281 613011269 /nfs/dbraw/zinc/01/12/69/613011269.db2.gz OZTCLJJCVHLJRV-UHFFFAOYSA-N 1 2 289.335 0.528 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913348225 613031340 /nfs/dbraw/zinc/03/13/40/613031340.db2.gz JKDUEEGXDRCDNI-ZVHGMHCTSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000858373576 613036184 /nfs/dbraw/zinc/03/61/84/613036184.db2.gz JVKNLAGRPJMTMY-NEPJUHHUSA-N 1 2 276.340 0.535 20 30 CCEDLO C#CC[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(=O)OC ZINC000848219505 613042080 /nfs/dbraw/zinc/04/20/80/613042080.db2.gz AJRVQGCTNQMKDE-GFCCVEGCSA-N 1 2 285.303 0.937 20 30 CCEDLO C#CC[C@@H]1NC(=O)N(Cc2nc(C[NH+](C)C)cs2)C1=O ZINC000925182772 613048464 /nfs/dbraw/zinc/04/84/64/613048464.db2.gz SEINUGJKNAIISV-JTQLQIEISA-N 1 2 292.364 0.648 20 30 CCEDLO C#CCCOC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000858903340 613048623 /nfs/dbraw/zinc/04/86/23/613048623.db2.gz RUNVOYYTGCPTKB-UHFFFAOYSA-N 1 2 281.356 0.290 20 30 CCEDLO C#CCCOC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000858903340 613048624 /nfs/dbraw/zinc/04/86/24/613048624.db2.gz RUNVOYYTGCPTKB-UHFFFAOYSA-N 1 2 281.356 0.290 20 30 CCEDLO C#CCCOC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000872644448 613050290 /nfs/dbraw/zinc/05/02/90/613050290.db2.gz IEJCCDWIUQYKBZ-GFCCVEGCSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCCOC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000872644448 613050291 /nfs/dbraw/zinc/05/02/91/613050291.db2.gz IEJCCDWIUQYKBZ-GFCCVEGCSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919982225 613050782 /nfs/dbraw/zinc/05/07/82/613050782.db2.gz RJXQEBCPLYPFAX-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCCOC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919982225 613050784 /nfs/dbraw/zinc/05/07/84/613050784.db2.gz RJXQEBCPLYPFAX-VXGBXAGGSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)C1CC1 ZINC000907400635 613064842 /nfs/dbraw/zinc/06/48/42/613064842.db2.gz PVKORDQAQBUTFZ-QBFSEMIESA-N 1 2 262.353 0.889 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000863801852 613065578 /nfs/dbraw/zinc/06/55/78/613065578.db2.gz GKQXZBMJFOXQPS-NWDGAFQWSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@H](COC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000863805721 613065737 /nfs/dbraw/zinc/06/57/37/613065737.db2.gz UACLHCOCMQFXIE-NWDGAFQWSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CCn1cc(CNC(=O)CCn2cc[nH+]c2)cn1 ZINC000819538146 613076689 /nfs/dbraw/zinc/07/66/89/613076689.db2.gz RWFONXXCLZCXMH-UHFFFAOYSA-N 1 2 257.297 0.419 20 30 CCEDLO C#C[C@@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854775858 613086913 /nfs/dbraw/zinc/08/69/13/613086913.db2.gz UXSZKBNURGXYLP-AWEZNQCLSA-N 1 2 283.331 0.584 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892599616 613101623 /nfs/dbraw/zinc/10/16/23/613101623.db2.gz MCCZZDLNWGTNJE-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892599616 613101624 /nfs/dbraw/zinc/10/16/24/613101624.db2.gz MCCZZDLNWGTNJE-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000892871713 613101822 /nfs/dbraw/zinc/10/18/22/613101822.db2.gz OKRMQBQUYSWDNO-LSDHHAIUSA-N 1 2 292.427 0.820 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+]([C@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215043 613106960 /nfs/dbraw/zinc/10/69/60/613106960.db2.gz CHSJBQGNOMTHBF-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C#C[C@@H]1CCC[N@H+]([C@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215043 613106962 /nfs/dbraw/zinc/10/69/62/613106962.db2.gz CHSJBQGNOMTHBF-VXGBXAGGSA-N 1 2 267.325 0.826 20 30 CCEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)C(C)C ZINC000905743470 613108065 /nfs/dbraw/zinc/10/80/65/613108065.db2.gz SBUZGJUCFMUWGT-UHFFFAOYSA-N 1 2 265.313 0.487 20 30 CCEDLO C#CC[N@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)C(C)C ZINC000905743470 613108066 /nfs/dbraw/zinc/10/80/66/613108066.db2.gz SBUZGJUCFMUWGT-UHFFFAOYSA-N 1 2 265.313 0.487 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000941417669 613114599 /nfs/dbraw/zinc/11/45/99/613114599.db2.gz ADIWZYQWOWKAFF-UHFFFAOYSA-N 1 2 261.369 0.248 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncs3)CC2)C1 ZINC000941330933 613116094 /nfs/dbraw/zinc/11/60/94/613116094.db2.gz XTJWTULGSBQFQN-UHFFFAOYSA-N 1 2 290.392 0.218 20 30 CCEDLO C#C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935464307 613118502 /nfs/dbraw/zinc/11/85/02/613118502.db2.gz VFAHABCNZBAEOX-XQQFMLRXSA-N 1 2 266.341 0.004 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000820641354 613122399 /nfs/dbraw/zinc/12/23/99/613122399.db2.gz UIAZIYXINXFQGC-CYBMUJFWSA-N 1 2 267.373 0.762 20 30 CCEDLO C#C[C@H](CCC)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820647959 613122487 /nfs/dbraw/zinc/12/24/87/613122487.db2.gz YFPLNLKFMKVVNL-ZIAGYGMSSA-N 1 2 297.399 0.123 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@H](C)O)C2)nc1 ZINC000957289658 613167094 /nfs/dbraw/zinc/16/70/94/613167094.db2.gz CDPZATUNTWMWMD-LBPRGKRZSA-N 1 2 287.363 0.590 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)CC)C1 ZINC000884153105 613168930 /nfs/dbraw/zinc/16/89/30/613168930.db2.gz CNAHZGVANYUNJH-CWTRNNRKSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)CC)C1 ZINC000884153105 613168932 /nfs/dbraw/zinc/16/89/32/613168932.db2.gz CNAHZGVANYUNJH-CWTRNNRKSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000885513847 613176138 /nfs/dbraw/zinc/17/61/38/613176138.db2.gz IBKHFVJSEINHLN-UONOGXRCSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000885513847 613176141 /nfs/dbraw/zinc/17/61/41/613176141.db2.gz IBKHFVJSEINHLN-UONOGXRCSA-N 1 2 299.440 0.793 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000885511711 613176198 /nfs/dbraw/zinc/17/61/98/613176198.db2.gz LSTKPSDGKLJEJP-TZMCWYRMSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000885511711 613176200 /nfs/dbraw/zinc/17/62/00/613176200.db2.gz LSTKPSDGKLJEJP-TZMCWYRMSA-N 1 2 299.440 0.649 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000890365557 613187290 /nfs/dbraw/zinc/18/72/90/613187290.db2.gz VZBFFZVBORJPDE-JQWIXIFHSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000890365557 613187291 /nfs/dbraw/zinc/18/72/91/613187291.db2.gz VZBFFZVBORJPDE-JQWIXIFHSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@H](C)CCC ZINC000846368027 613202176 /nfs/dbraw/zinc/20/21/76/613202176.db2.gz PLAVYEUTHICRIY-MCIONIFRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@H](C)CCC ZINC000846368027 613202178 /nfs/dbraw/zinc/20/21/78/613202178.db2.gz PLAVYEUTHICRIY-MCIONIFRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nnc3cc(C)ccc3c2=O)CC1 ZINC000848474476 613209683 /nfs/dbraw/zinc/20/96/83/613209683.db2.gz BWVPPFWIGHJQMK-UHFFFAOYSA-N 1 2 297.362 0.308 20 30 CCEDLO C#CC[NH+]1CCN(Cn2ncn(CC)c2=S)CC1 ZINC000935176444 613209920 /nfs/dbraw/zinc/20/99/20/613209920.db2.gz XKJLRLKAALFKKT-UHFFFAOYSA-N 1 2 265.386 0.642 20 30 CCEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000949288933 613210481 /nfs/dbraw/zinc/21/04/81/613210481.db2.gz CLWYPCFPYAIDGC-KGLIPLIRSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC000949288933 613210483 /nfs/dbraw/zinc/21/04/83/613210483.db2.gz CLWYPCFPYAIDGC-KGLIPLIRSA-N 1 2 276.380 0.969 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269709 613212893 /nfs/dbraw/zinc/21/28/93/613212893.db2.gz QQDCTKHKQVHVQK-UKRRQHHQSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269709 613212894 /nfs/dbraw/zinc/21/28/94/613212894.db2.gz QQDCTKHKQVHVQK-UKRRQHHQSA-N 1 2 264.369 0.969 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000672 613218622 /nfs/dbraw/zinc/21/86/22/613218622.db2.gz QRUMWVLHNMPBOU-ZYHUDNBSSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000672 613218624 /nfs/dbraw/zinc/21/86/24/613218624.db2.gz QRUMWVLHNMPBOU-ZYHUDNBSSA-N 1 2 275.356 0.115 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000798290077 613219094 /nfs/dbraw/zinc/21/90/94/613219094.db2.gz WHAULPDCUICQLZ-QWHCGFSZSA-N 1 2 287.363 0.902 20 30 CCEDLO C/N=C1/NC(=O)/C(=C/c2c[nH+]c(N(C)C)n2C)S1 ZINC000901539807 613220388 /nfs/dbraw/zinc/22/03/88/613220388.db2.gz IYTDIPZBRIZMSL-YVMONPNESA-N 1 2 265.342 0.676 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000949759951 613295615 /nfs/dbraw/zinc/29/56/15/613295615.db2.gz SRRPAUQDRDXRQK-QWHCGFSZSA-N 1 2 280.368 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCNC2=O)C1 ZINC000950560192 613295632 /nfs/dbraw/zinc/29/56/32/613295632.db2.gz NUZWFMQKBFPFSM-ZDUSSCGKSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000957072423 613320922 /nfs/dbraw/zinc/32/09/22/613320922.db2.gz SLOVLXUGZDZTFK-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC000957832736 613321115 /nfs/dbraw/zinc/32/11/15/613321115.db2.gz QEFNXRYCYWLZNF-UHFFFAOYSA-N 1 2 288.351 0.514 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000860104868 613330468 /nfs/dbraw/zinc/33/04/68/613330468.db2.gz CWYQUWGLSXHALY-UHFFFAOYSA-N 1 2 267.332 0.860 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860104868 613330470 /nfs/dbraw/zinc/33/04/70/613330470.db2.gz CWYQUWGLSXHALY-UHFFFAOYSA-N 1 2 267.332 0.860 20 30 CCEDLO C=C(C)COCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866658029 613351817 /nfs/dbraw/zinc/35/18/17/613351817.db2.gz FKXWTAIVVJWURY-ONEGZZNKSA-N 1 2 268.357 0.584 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCNC2=O)C1 ZINC000969883982 613371632 /nfs/dbraw/zinc/37/16/32/613371632.db2.gz LMUGUESSPXYVRA-PWSUYJOCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000970278304 613371650 /nfs/dbraw/zinc/37/16/50/613371650.db2.gz VQAYORGEEXCQRE-PWSUYJOCSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC000958672469 613380367 /nfs/dbraw/zinc/38/03/67/613380367.db2.gz LLOGVBDLVDRZGN-ZYHUDNBSSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC000958672469 613380368 /nfs/dbraw/zinc/38/03/68/613380368.db2.gz LLOGVBDLVDRZGN-ZYHUDNBSSA-N 1 2 298.774 0.195 20 30 CCEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852122543 613383584 /nfs/dbraw/zinc/38/35/84/613383584.db2.gz FRXJMKIPMVTLAR-NSHDSACASA-N 1 2 273.764 0.855 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000878538756 613396678 /nfs/dbraw/zinc/39/66/78/613396678.db2.gz GYMGFXOYSYJLNT-JTQLQIEISA-N 1 2 280.328 0.807 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000878095036 613396874 /nfs/dbraw/zinc/39/68/74/613396874.db2.gz ZXRSDUNSJCYJES-NSHDSACASA-N 1 2 290.385 0.118 20 30 CCEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000878078443 613397440 /nfs/dbraw/zinc/39/74/40/613397440.db2.gz BTGWHIKHOHSDBN-AWEZNQCLSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191023 613399123 /nfs/dbraw/zinc/39/91/23/613399123.db2.gz PCXBEDPPPOTXMM-JTQLQIEISA-N 1 2 265.313 0.602 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191023 613399126 /nfs/dbraw/zinc/39/91/26/613399126.db2.gz PCXBEDPPPOTXMM-JTQLQIEISA-N 1 2 265.313 0.602 20 30 CCEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CC1 ZINC000970375356 613411489 /nfs/dbraw/zinc/41/14/89/613411489.db2.gz FSTZPOCZMOILQM-LLVKDONJSA-N 1 2 279.384 0.655 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663894 613412619 /nfs/dbraw/zinc/41/26/19/613412619.db2.gz SPEFKYXDDKSUJZ-WDEREUQCSA-N 1 2 270.329 0.877 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663894 613412621 /nfs/dbraw/zinc/41/26/21/613412621.db2.gz SPEFKYXDDKSUJZ-WDEREUQCSA-N 1 2 270.329 0.877 20 30 CCEDLO CC(=O)N1CC[NH+](CCNc2cc(C)cc(C#N)n2)CC1 ZINC000891822242 613415854 /nfs/dbraw/zinc/41/58/54/613415854.db2.gz UQTQLAVQKAMCFB-UHFFFAOYSA-N 1 2 287.367 0.838 20 30 CCEDLO C=CC[C@H]([NH2+]CCCc1cnn(C)n1)C(=O)OC ZINC000905768710 613419346 /nfs/dbraw/zinc/41/93/46/613419346.db2.gz ARBYVIZMPYRIDU-NSHDSACASA-N 1 2 252.318 0.455 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@@H]2C)nn1 ZINC000968404116 613431524 /nfs/dbraw/zinc/43/15/24/613431524.db2.gz CFPQOPCYJYCBMH-RYUDHWBXSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@@H]2C)nn1 ZINC000968404116 613431526 /nfs/dbraw/zinc/43/15/26/613431526.db2.gz CFPQOPCYJYCBMH-RYUDHWBXSA-N 1 2 295.362 0.874 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000895578131 613445783 /nfs/dbraw/zinc/44/57/83/613445783.db2.gz FTEFMXHNVYIOLL-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000895578131 613445782 /nfs/dbraw/zinc/44/57/82/613445782.db2.gz FTEFMXHNVYIOLL-MNOVXSKESA-N 1 2 257.334 0.512 20 30 CCEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870160197 613450748 /nfs/dbraw/zinc/45/07/48/613450748.db2.gz WHZPICZUZUQRQX-OAHLLOKOSA-N 1 2 290.363 0.886 20 30 CCEDLO CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956595937 613461545 /nfs/dbraw/zinc/46/15/45/613461545.db2.gz SPJBWFCFIPFSPG-OAHLLOKOSA-N 1 2 289.379 0.165 20 30 CCEDLO C=C[C@](C)(O)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928647613 613508307 /nfs/dbraw/zinc/50/83/07/613508307.db2.gz QRGVJFCHNVXINX-AAEUAGOBSA-N 1 2 256.346 0.150 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000941318964 613529708 /nfs/dbraw/zinc/52/97/08/613529708.db2.gz CLGIIBCGZCGKMX-AWEZNQCLSA-N 1 2 277.412 0.884 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC(C)C)CC2)C1 ZINC000941288237 613529760 /nfs/dbraw/zinc/52/97/60/613529760.db2.gz FJALBIGCMZQUMS-UHFFFAOYSA-N 1 2 277.412 0.884 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC000949073005 613562729 /nfs/dbraw/zinc/56/27/29/613562729.db2.gz RLRNENMAZVDWMI-UHFFFAOYSA-N 1 2 277.368 0.166 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000950426736 613568758 /nfs/dbraw/zinc/56/87/58/613568758.db2.gz JRDKJXYALXUDLZ-UHFFFAOYSA-N 1 2 273.336 0.877 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896569882 613572944 /nfs/dbraw/zinc/57/29/44/613572944.db2.gz VZWDIXQNJOCDCX-CHWSQXEVSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896569882 613572947 /nfs/dbraw/zinc/57/29/47/613572947.db2.gz VZWDIXQNJOCDCX-CHWSQXEVSA-N 1 2 269.389 0.330 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000927501357 613591964 /nfs/dbraw/zinc/59/19/64/613591964.db2.gz BMHYEKFQVGIYGB-NWDGAFQWSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000927501357 613591968 /nfs/dbraw/zinc/59/19/68/613591968.db2.gz BMHYEKFQVGIYGB-NWDGAFQWSA-N 1 2 280.372 0.119 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(CO)(CO)CC2)nn1 ZINC000877796854 613598671 /nfs/dbraw/zinc/59/86/71/613598671.db2.gz VTRPGUPMWBYYCA-UHFFFAOYSA-N 1 2 280.372 0.421 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nccn2CC(F)F)nn1 ZINC000881361718 613645159 /nfs/dbraw/zinc/64/51/59/613645159.db2.gz CPKRGOBIPVHIHF-UHFFFAOYSA-N 1 2 294.309 0.901 20 30 CCEDLO C=CC[N@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@H](C)COC ZINC000853533092 613650451 /nfs/dbraw/zinc/65/04/51/613650451.db2.gz UMPFLIXCHXNTOQ-LLVKDONJSA-N 1 2 297.355 0.666 20 30 CCEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@H](C)COC ZINC000853533092 613650452 /nfs/dbraw/zinc/65/04/52/613650452.db2.gz UMPFLIXCHXNTOQ-LLVKDONJSA-N 1 2 297.355 0.666 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894365890 613650494 /nfs/dbraw/zinc/65/04/94/613650494.db2.gz GXUGCFONGVRYFF-NEPJUHHUSA-N 1 2 278.356 0.846 20 30 CCEDLO CC#CC[C@@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894365890 613650497 /nfs/dbraw/zinc/65/04/97/613650497.db2.gz GXUGCFONGVRYFF-NEPJUHHUSA-N 1 2 278.356 0.846 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000949858082 613655540 /nfs/dbraw/zinc/65/55/40/613655540.db2.gz PRWSZQONTJYUNZ-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC000957602138 613707865 /nfs/dbraw/zinc/70/78/65/613707865.db2.gz VQMORFHLSWLTQR-UHFFFAOYSA-N 1 2 280.372 0.107 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COc2cc(C)on2)CC1 ZINC000948875440 613708044 /nfs/dbraw/zinc/70/80/44/613708044.db2.gz GATCIWXSZGMNRB-UHFFFAOYSA-N 1 2 265.313 0.692 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC000957307472 613712929 /nfs/dbraw/zinc/71/29/29/613712929.db2.gz XVPKRRKZRXWKRM-ZDUSSCGKSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC000949494909 613712949 /nfs/dbraw/zinc/71/29/49/613712949.db2.gz XDTSACLNHVIPRL-CYBMUJFWSA-N 1 2 278.356 0.438 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972517134 613726227 /nfs/dbraw/zinc/72/62/27/613726227.db2.gz BJBLYIXHOXIOPY-HUUCEWRRSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000972517134 613726230 /nfs/dbraw/zinc/72/62/30/613726230.db2.gz BJBLYIXHOXIOPY-HUUCEWRRSA-N 1 2 298.358 0.604 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncccn3)C2)C1 ZINC000972606602 613727035 /nfs/dbraw/zinc/72/70/35/613727035.db2.gz WLUHPCKCPOOTJS-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncccn3)C2)C1 ZINC000972606602 613727036 /nfs/dbraw/zinc/72/70/36/613727036.db2.gz WLUHPCKCPOOTJS-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 ZINC000972609650 613727701 /nfs/dbraw/zinc/72/77/01/613727701.db2.gz VAAATRAYLLXTBM-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 ZINC000972609650 613727705 /nfs/dbraw/zinc/72/77/05/613727705.db2.gz VAAATRAYLLXTBM-OAHLLOKOSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CCNC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845275686 613847792 /nfs/dbraw/zinc/84/77/92/613847792.db2.gz GXUONEBPXVBRRR-SNVBAGLBSA-N 1 2 251.286 0.680 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884044012 613877933 /nfs/dbraw/zinc/87/79/33/613877933.db2.gz QPQBVYVYFOYHIS-AXFHLTTASA-N 1 2 270.329 0.069 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1cnn(C)c1 ZINC000884152584 613877963 /nfs/dbraw/zinc/87/79/63/613877963.db2.gz PBBRGPIZJZYMDS-NSHDSACASA-N 1 2 294.355 0.218 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000884107639 613878051 /nfs/dbraw/zinc/87/80/51/613878051.db2.gz BGYRJBUQTBSQEK-MXWKQRLJSA-N 1 2 286.397 0.785 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccccn1 ZINC000884176132 613878221 /nfs/dbraw/zinc/87/82/21/613878221.db2.gz WQYSFLHFFGWFIQ-LBPRGKRZSA-N 1 2 277.324 0.187 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000884406936 613878350 /nfs/dbraw/zinc/87/83/50/613878350.db2.gz MFAHEXPSRFTVDU-RVMXOQNASA-N 1 2 280.368 0.985 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000884406911 613878413 /nfs/dbraw/zinc/87/84/13/613878413.db2.gz LHDQEZZEXAEEAP-WOPDTQHZSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000884153581 613878555 /nfs/dbraw/zinc/87/85/55/613878555.db2.gz NIRCEALOQHPYAG-TUAOUCFPSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CC(C)C ZINC000884313722 613878714 /nfs/dbraw/zinc/87/87/14/613878714.db2.gz NCURLMYOVUHWJA-MNOVXSKESA-N 1 2 256.346 0.984 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C1CCOCC1 ZINC000884152445 613878783 /nfs/dbraw/zinc/87/87/83/613878783.db2.gz LQICCMKLJOOPOJ-PWSUYJOCSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCONC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840386548 613883833 /nfs/dbraw/zinc/88/38/33/613883833.db2.gz PTVJRGBLFAGJRJ-UHFFFAOYSA-N 1 2 257.334 0.514 20 30 CCEDLO C=CCONC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000838707354 613884107 /nfs/dbraw/zinc/88/41/07/613884107.db2.gz IREUDUWNGOXLBT-QWRGUYRKSA-N 1 2 257.334 0.512 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935332679 613885438 /nfs/dbraw/zinc/88/54/38/613885438.db2.gz MDGOFMJPYHJAJZ-GFCCVEGCSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935332679 613885439 /nfs/dbraw/zinc/88/54/39/613885439.db2.gz MDGOFMJPYHJAJZ-GFCCVEGCSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cnn(C)n1 ZINC000926127641 613886018 /nfs/dbraw/zinc/88/60/18/613886018.db2.gz XKLWTCARQBOLOV-SECBINFHSA-N 1 2 258.347 0.067 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC000840524361 614090808 /nfs/dbraw/zinc/09/08/08/614090808.db2.gz ZBMCJFNSFAAZEA-UHFFFAOYSA-N 1 2 250.342 0.627 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934028251 614181099 /nfs/dbraw/zinc/18/10/99/614181099.db2.gz ARNHOPKTAPZFFZ-NQBHXWOUSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CO ZINC000934028251 614181102 /nfs/dbraw/zinc/18/11/02/614181102.db2.gz ARNHOPKTAPZFFZ-NQBHXWOUSA-N 1 2 253.346 0.496 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900810634 614327785 /nfs/dbraw/zinc/32/77/85/614327785.db2.gz HIGQTNCLGBTGPV-STQMWFEESA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900810634 614327787 /nfs/dbraw/zinc/32/77/87/614327787.db2.gz HIGQTNCLGBTGPV-STQMWFEESA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900810633 614327725 /nfs/dbraw/zinc/32/77/25/614327725.db2.gz HIGQTNCLGBTGPV-QWHCGFSZSA-N 1 2 251.374 0.396 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900810633 614327727 /nfs/dbraw/zinc/32/77/27/614327727.db2.gz HIGQTNCLGBTGPV-QWHCGFSZSA-N 1 2 251.374 0.396 20 30 CCEDLO CC1(C)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C#N ZINC000867832452 614526818 /nfs/dbraw/zinc/52/68/18/614526818.db2.gz MZBILQZQDDQWND-WDEREUQCSA-N 1 2 262.313 0.984 20 30 CCEDLO CCN(C(=O)CO[NH+]=C(N)CCO)C1CCCCC1 ZINC000136065041 614593155 /nfs/dbraw/zinc/59/31/55/614593155.db2.gz AROQGGOUZKRZEB-UHFFFAOYSA-N 1 2 271.361 0.839 20 30 CCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccncc2C#N)C1 ZINC000828876365 615173102 /nfs/dbraw/zinc/17/31/02/615173102.db2.gz DFXMIFALDOPIGG-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccncc2C#N)C1 ZINC000828876365 615173103 /nfs/dbraw/zinc/17/31/03/615173103.db2.gz DFXMIFALDOPIGG-CYBMUJFWSA-N 1 2 275.308 0.717 20 30 CCEDLO CCN1C[C@H](C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)OC1=O ZINC000846834961 615403519 /nfs/dbraw/zinc/40/35/19/615403519.db2.gz GQFLKBXXZTYSFU-KBPBESRZSA-N 1 2 294.399 0.993 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC#N ZINC000922229474 615478135 /nfs/dbraw/zinc/47/81/35/615478135.db2.gz QVSJDJCKVSUGGM-NSHDSACASA-N 1 2 254.334 0.310 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000902940213 615479747 /nfs/dbraw/zinc/47/97/47/615479747.db2.gz NDOGOVIXXQNXPC-LBPRGKRZSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nccnc1C#N ZINC000895805159 615480387 /nfs/dbraw/zinc/48/03/87/615480387.db2.gz QDVDPPARUZJSAM-NSHDSACASA-N 1 2 261.329 0.871 20 30 CCEDLO CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941347904 615513140 /nfs/dbraw/zinc/51/31/40/615513140.db2.gz GITZCZUPOUVYHO-CHWSQXEVSA-N 1 2 296.390 0.723 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CSCC#N ZINC000874699425 615567100 /nfs/dbraw/zinc/56/71/00/615567100.db2.gz AWRVDDDAIJTZCJ-LLVKDONJSA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CSCC#N ZINC000874699425 615567101 /nfs/dbraw/zinc/56/71/01/615567101.db2.gz AWRVDDDAIJTZCJ-LLVKDONJSA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@@](C)(C#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870060336 615587923 /nfs/dbraw/zinc/58/79/23/615587923.db2.gz ABIZYCMKIBUOQI-ZFWWWQNUSA-N 1 2 295.383 0.486 20 30 CCEDLO Cn1ncc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844371681 616097454 /nfs/dbraw/zinc/09/74/54/616097454.db2.gz QCYDDSYEDQGKSE-CQSZACIVSA-N 1 2 271.324 0.852 20 30 CCEDLO Cn1ncc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844371681 616097456 /nfs/dbraw/zinc/09/74/56/616097456.db2.gz QCYDDSYEDQGKSE-CQSZACIVSA-N 1 2 271.324 0.852 20 30 CCEDLO Cn1nnnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434699 616125097 /nfs/dbraw/zinc/12/50/97/616125097.db2.gz XBARYKMABQKREX-UHFFFAOYSA-N 1 2 256.313 0.756 20 30 CCEDLO Cn1nnnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434699 616125098 /nfs/dbraw/zinc/12/50/98/616125098.db2.gz XBARYKMABQKREX-UHFFFAOYSA-N 1 2 256.313 0.756 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2cccc(C#N)c2)C[C@@H]1CO ZINC000913552820 616223993 /nfs/dbraw/zinc/22/39/93/616223993.db2.gz XGCBJHRHKJUOHY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2cccc(C#N)c2)C[C@@H]1CO ZINC000913552820 616223994 /nfs/dbraw/zinc/22/39/94/616223994.db2.gz XGCBJHRHKJUOHY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1CO ZINC000913542655 616229854 /nfs/dbraw/zinc/22/98/54/616229854.db2.gz OKGXIQLGVDPZJL-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1CO ZINC000913542655 616229855 /nfs/dbraw/zinc/22/98/55/616229855.db2.gz OKGXIQLGVDPZJL-SNVBAGLBSA-N 1 2 295.289 0.585 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000865787878 616364645 /nfs/dbraw/zinc/36/46/45/616364645.db2.gz UNRRCKIYKOJKTB-CQSZACIVSA-N 1 2 281.356 0.097 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886310811 616711914 /nfs/dbraw/zinc/71/19/14/616711914.db2.gz VPUPUBDHKXQFSW-GRYCIOLGSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886310811 616711916 /nfs/dbraw/zinc/71/19/16/616711916.db2.gz VPUPUBDHKXQFSW-GRYCIOLGSA-N 1 2 282.340 0.039 20 30 CCEDLO COCCn1cc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000848417517 616732497 /nfs/dbraw/zinc/73/24/97/616732497.db2.gz AMVAJVQQIKCWDM-UHFFFAOYSA-N 1 2 276.344 0.740 20 30 CCEDLO CNC(=S)N(C)N=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872381610 616928185 /nfs/dbraw/zinc/92/81/85/616928185.db2.gz UZLCBWJZQWZTBR-SNVBAGLBSA-N 1 2 272.443 0.990 20 30 CCEDLO CNC(=S)N(C)N=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872381610 616928189 /nfs/dbraw/zinc/92/81/89/616928189.db2.gz UZLCBWJZQWZTBR-SNVBAGLBSA-N 1 2 272.443 0.990 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000886867781 616928556 /nfs/dbraw/zinc/92/85/56/616928556.db2.gz NSQFEVPURCOBFA-FZMZJTMJSA-N 1 2 294.355 0.225 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000886867781 616928560 /nfs/dbraw/zinc/92/85/60/616928560.db2.gz NSQFEVPURCOBFA-FZMZJTMJSA-N 1 2 294.355 0.225 20 30 CCEDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2CCOCCC#N)O1 ZINC000933201562 616957074 /nfs/dbraw/zinc/95/70/74/616957074.db2.gz PXUIQRMBKCSSPV-ZNMIVQPWSA-N 1 2 298.383 0.811 20 30 CCEDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2CCOCCC#N)O1 ZINC000933201562 616957076 /nfs/dbraw/zinc/95/70/76/616957076.db2.gz PXUIQRMBKCSSPV-ZNMIVQPWSA-N 1 2 298.383 0.811 20 30 CCEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)[nH]1 ZINC000807285099 616978439 /nfs/dbraw/zinc/97/84/39/616978439.db2.gz SKVIJZBDVFQIIP-LLVKDONJSA-N 1 2 287.279 0.054 20 30 CCEDLO COC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C1CCOCC1 ZINC000880340809 617020094 /nfs/dbraw/zinc/02/00/94/617020094.db2.gz LMTSTDYWJHJOOR-PWSUYJOCSA-N 1 2 270.329 0.473 20 30 CCEDLO COc1cc(C(N)=[NH+]OCCO)ccc1OC(F)F ZINC000111997613 617151383 /nfs/dbraw/zinc/15/13/83/617151383.db2.gz GMWYFJVFFDGOPW-UHFFFAOYSA-N 1 2 276.239 0.926 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972502134 622890803 /nfs/dbraw/zinc/89/08/03/622890803.db2.gz MCNAYUCOGNVZNI-JSGCOSHPSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972502134 622890811 /nfs/dbraw/zinc/89/08/11/622890811.db2.gz MCNAYUCOGNVZNI-JSGCOSHPSA-N 1 2 268.332 0.671 20 30 CCEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3C)C2)C1 ZINC000972700233 623165428 /nfs/dbraw/zinc/16/54/28/623165428.db2.gz VPGMTASQGQTCAD-HNNXBMFYSA-N 1 2 288.351 0.268 20 30 CCEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3C)C2)C1 ZINC000972700233 623165432 /nfs/dbraw/zinc/16/54/32/623165432.db2.gz VPGMTASQGQTCAD-HNNXBMFYSA-N 1 2 288.351 0.268 20 30 CCEDLO O=C(NCC#CCO)NCCCCNc1cccc[nH+]1 ZINC000923778993 623391935 /nfs/dbraw/zinc/39/19/35/623391935.db2.gz ARNKAMJRVISLNM-UHFFFAOYSA-N 1 2 276.340 0.569 20 30 CCEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001024716326 623422127 /nfs/dbraw/zinc/42/21/27/623422127.db2.gz RVSCDVNXTCUKMC-LLVKDONJSA-N 1 2 263.345 0.965 20 30 CCEDLO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001024716326 623422130 /nfs/dbraw/zinc/42/21/30/623422130.db2.gz RVSCDVNXTCUKMC-LLVKDONJSA-N 1 2 263.345 0.965 20 30 CCEDLO CC1(C#N)CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000935773113 623576955 /nfs/dbraw/zinc/57/69/55/623576955.db2.gz LSCVKMVSXVUYAY-OLZOCXBDSA-N 1 2 293.367 0.238 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969124364 624465554 /nfs/dbraw/zinc/46/55/54/624465554.db2.gz FHPLLZYOFZKVGI-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO Oc1ccc(/C=N/CC[NH+]2CCOCC2)c(O)c1O ZINC000022727093 624951853 /nfs/dbraw/zinc/95/18/53/624951853.db2.gz RJIYOVFJHZLIGQ-NTEUORMPSA-N 1 2 266.297 0.555 20 30 CCEDLO C[C@H]1/C(=C/c2c[nH+]c(N(C)C)n2C)C(=O)c2ncnn21 ZINC000905084995 634790036 /nfs/dbraw/zinc/79/00/36/634790036.db2.gz LAEZWLGWNXDUOB-AMAGOZFHSA-N 1 2 272.312 0.919 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027848144 630976006 /nfs/dbraw/zinc/97/60/06/630976006.db2.gz RBWOTYRGQBOTEE-ZDUSSCGKSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027848144 630976008 /nfs/dbraw/zinc/97/60/08/630976008.db2.gz RBWOTYRGQBOTEE-ZDUSSCGKSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000968128095 650007713 /nfs/dbraw/zinc/00/77/13/650007713.db2.gz GFDDKWQLUGNTRY-DZGCQCFKSA-N 1 2 299.374 0.350 20 30 CCEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC000968128095 650007715 /nfs/dbraw/zinc/00/77/15/650007715.db2.gz GFDDKWQLUGNTRY-DZGCQCFKSA-N 1 2 299.374 0.350 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cs1 ZINC000893904320 631482697 /nfs/dbraw/zinc/48/26/97/631482697.db2.gz DNJFKNWOFNSJHK-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cs1 ZINC000893904320 631482705 /nfs/dbraw/zinc/48/27/05/631482705.db2.gz DNJFKNWOFNSJHK-JTQLQIEISA-N 1 2 271.367 0.483 20 30 CCEDLO C=C(Br)C[NH+]1CCC(O)(CO)CC1 ZINC000306177839 631859906 /nfs/dbraw/zinc/85/99/06/631859906.db2.gz PAHKJOMMZWKDSQ-UHFFFAOYSA-N 1 2 250.136 0.714 20 30 CCEDLO N#Cc1cnc(NCC[N@@H+]2CCC3(C2)OCCO3)c(F)c1 ZINC000895252231 632037841 /nfs/dbraw/zinc/03/78/41/632037841.db2.gz AQTBPENZGGSJMA-UHFFFAOYSA-N 1 2 292.314 0.953 20 30 CCEDLO N#Cc1cnc(NCC[N@H+]2CCC3(C2)OCCO3)c(F)c1 ZINC000895252231 632037851 /nfs/dbraw/zinc/03/78/51/632037851.db2.gz AQTBPENZGGSJMA-UHFFFAOYSA-N 1 2 292.314 0.953 20 30 CCEDLO Cc1nc(N2CCC3(CC2)CC(=O)C=CO3)nc(N)[nH+]1 ZINC000896882628 632342343 /nfs/dbraw/zinc/34/23/43/632342343.db2.gz QKCSCTYQIVLHPL-UHFFFAOYSA-N 1 2 275.312 0.604 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007531291 650082047 /nfs/dbraw/zinc/08/20/47/650082047.db2.gz YZDNQUQLVGSOSY-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007531291 650082048 /nfs/dbraw/zinc/08/20/48/650082048.db2.gz YZDNQUQLVGSOSY-IJLUTSLNSA-N 1 2 273.340 0.617 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008249863 650107817 /nfs/dbraw/zinc/10/78/17/650107817.db2.gz RPMZEGMKPIMMOJ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001008249863 650107818 /nfs/dbraw/zinc/10/78/18/650107818.db2.gz RPMZEGMKPIMMOJ-NWDGAFQWSA-N 1 2 299.802 0.798 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000988771859 633107423 /nfs/dbraw/zinc/10/74/23/633107423.db2.gz FKNREOXKWMFJGY-UTUOFQBUSA-N 1 2 289.339 0.148 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988828398 633120009 /nfs/dbraw/zinc/12/00/09/633120009.db2.gz WULDUDFDOYHGAA-ZWNOBZJWSA-N 1 2 288.351 0.870 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(CC#N)cc1 ZINC000898888526 633684463 /nfs/dbraw/zinc/68/44/63/633684463.db2.gz JGKQWTNFHRYRIA-CYBMUJFWSA-N 1 2 284.319 0.950 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812236 634097891 /nfs/dbraw/zinc/09/78/91/634097891.db2.gz TZUCSPKLTPCXAI-QWHCGFSZSA-N 1 2 265.401 0.786 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812236 634097899 /nfs/dbraw/zinc/09/78/99/634097899.db2.gz TZUCSPKLTPCXAI-QWHCGFSZSA-N 1 2 265.401 0.786 20 30 CCEDLO C[C@H](CC#N)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906459405 634997665 /nfs/dbraw/zinc/99/76/65/634997665.db2.gz LYJMLHFRXJXGLI-CYBMUJFWSA-N 1 2 290.367 0.852 20 30 CCEDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc(C#CCO)c1 ZINC000908135090 635288005 /nfs/dbraw/zinc/28/80/05/635288005.db2.gz JFAPZISWFSRSCS-HNNXBMFYSA-N 1 2 295.342 0.972 20 30 CCEDLO N#CCNC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991902240 637168753 /nfs/dbraw/zinc/16/87/53/637168753.db2.gz SLUQJOHROYKCLD-UHFFFAOYSA-N 1 2 261.329 0.446 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc(C)c1C#N ZINC000913556239 637168888 /nfs/dbraw/zinc/16/88/88/637168888.db2.gz UDRUCHZPUBFBRQ-CQSZACIVSA-N 1 2 287.363 0.924 20 30 CCEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc(C)c1C#N ZINC000913556239 637168895 /nfs/dbraw/zinc/16/88/95/637168895.db2.gz UDRUCHZPUBFBRQ-CQSZACIVSA-N 1 2 287.363 0.924 20 30 CCEDLO N#CCN1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992520279 637461169 /nfs/dbraw/zinc/46/11/69/637461169.db2.gz FVXBWMSGIFCKKX-TZMCWYRMSA-N 1 2 273.340 0.520 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1CC#N ZINC000994213997 637877823 /nfs/dbraw/zinc/87/78/23/637877823.db2.gz UZMQFILYKQEVSU-YPMHNXCESA-N 1 2 275.356 0.455 20 30 CCEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1CC#N ZINC000994504026 637954240 /nfs/dbraw/zinc/95/42/40/637954240.db2.gz GEBQQEAIIOHTQF-NWDGAFQWSA-N 1 2 261.329 0.376 20 30 CCEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NCC#N ZINC000939535057 638375979 /nfs/dbraw/zinc/37/59/79/638375979.db2.gz OVAADMJQPCKHAL-GHMZBOCLSA-N 1 2 275.356 0.647 20 30 CCEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177462 638708798 /nfs/dbraw/zinc/70/87/98/638708798.db2.gz OPOHSXKFAQTVJH-CMPLNLGQSA-N 1 2 261.329 0.302 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995559710 638777107 /nfs/dbraw/zinc/77/71/07/638777107.db2.gz KOTMRGUUIMJLCF-MWLCHTKSSA-N 1 2 291.355 0.864 20 30 CCEDLO C#C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000186009323 638794329 /nfs/dbraw/zinc/79/43/29/638794329.db2.gz WQHONBITYRIBQZ-SDDRHHMPSA-N 1 2 253.346 0.417 20 30 CCEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC(NCC#N)C1 ZINC000999004593 638955067 /nfs/dbraw/zinc/95/50/67/638955067.db2.gz JANOEOCJCJXAKU-HIFPTAJRSA-N 1 2 287.367 0.548 20 30 CCEDLO N#CCN1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855670 639178949 /nfs/dbraw/zinc/17/89/49/639178949.db2.gz RUKSWTVZLXVTSB-AWEZNQCLSA-N 1 2 299.378 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830680 650493747 /nfs/dbraw/zinc/49/37/47/650493747.db2.gz DOITWYVVHJSOHI-SECBINFHSA-N 1 2 284.747 0.980 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001014830680 650493750 /nfs/dbraw/zinc/49/37/50/650493750.db2.gz DOITWYVVHJSOHI-SECBINFHSA-N 1 2 284.747 0.980 20 30 CCEDLO N#CCc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC000922152631 639503562 /nfs/dbraw/zinc/50/35/62/639503562.db2.gz HGMSKKWJQSCZEV-GORDUTHDSA-N 1 2 286.335 0.975 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279429 650549246 /nfs/dbraw/zinc/54/92/46/650549246.db2.gz XETHKINYMHRKGG-NSHDSACASA-N 1 2 290.319 0.476 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279429 650549247 /nfs/dbraw/zinc/54/92/47/650549247.db2.gz XETHKINYMHRKGG-NSHDSACASA-N 1 2 290.319 0.476 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001015405827 650563685 /nfs/dbraw/zinc/56/36/85/650563685.db2.gz XZGUGEDQFQGVMR-NEPJUHHUSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001015405827 650563687 /nfs/dbraw/zinc/56/36/87/650563687.db2.gz XZGUGEDQFQGVMR-NEPJUHHUSA-N 1 2 286.397 0.330 20 30 CCEDLO C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)CN1C ZINC000799488293 640578231 /nfs/dbraw/zinc/57/82/31/640578231.db2.gz DSTVWYAWQPMMNW-GFCCVEGCSA-N 1 2 254.378 0.378 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015685889 650609263 /nfs/dbraw/zinc/60/92/63/650609263.db2.gz QJYKKKJRXRGUAL-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001015685889 650609264 /nfs/dbraw/zinc/60/92/64/650609264.db2.gz QJYKKKJRXRGUAL-RYUDHWBXSA-N 1 2 299.802 0.988 20 30 CCEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)CC#N ZINC000809577102 640900025 /nfs/dbraw/zinc/90/00/25/640900025.db2.gz VFFJDFVBORQHCX-DGCLKSJQSA-N 1 2 261.325 0.809 20 30 CCEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)CC#N ZINC000809577102 640900030 /nfs/dbraw/zinc/90/00/30/640900030.db2.gz VFFJDFVBORQHCX-DGCLKSJQSA-N 1 2 261.325 0.809 20 30 CCEDLO COc1ccc(CO[NH+]=C(N)CCO)cc1[N+](=O)[O-] ZINC000121377253 642116363 /nfs/dbraw/zinc/11/63/63/642116363.db2.gz JLNZBCXPJWNMBI-UHFFFAOYSA-N 1 2 269.257 0.775 20 30 CCEDLO C#CC[C@H]1CCC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000842629206 642920039 /nfs/dbraw/zinc/92/00/39/642920039.db2.gz LFRRQJQAEATVBP-NSHDSACASA-N 1 2 284.319 0.765 20 30 CCEDLO C#CC[C@H]1CCC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000842629206 642920047 /nfs/dbraw/zinc/92/00/47/642920047.db2.gz LFRRQJQAEATVBP-NSHDSACASA-N 1 2 284.319 0.765 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)n1 ZINC001017962978 650837777 /nfs/dbraw/zinc/83/77/77/650837777.db2.gz JPUIOJJUPSTREW-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)n1 ZINC001017962978 650837778 /nfs/dbraw/zinc/83/77/78/650837778.db2.gz JPUIOJJUPSTREW-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCOCC1 ZINC001018016899 650840403 /nfs/dbraw/zinc/84/04/03/650840403.db2.gz RJCPOJWUZBSFBM-OKILXGFUSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCOCC1 ZINC001018016899 650840406 /nfs/dbraw/zinc/84/04/06/650840406.db2.gz RJCPOJWUZBSFBM-OKILXGFUSA-N 1 2 292.379 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001018042246 650841112 /nfs/dbraw/zinc/84/11/12/650841112.db2.gz XGXMNHNDZJZJHU-OKILXGFUSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001018042246 650841114 /nfs/dbraw/zinc/84/11/14/650841114.db2.gz XGXMNHNDZJZJHU-OKILXGFUSA-N 1 2 272.352 0.651 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)=O ZINC001018190453 650847729 /nfs/dbraw/zinc/84/77/29/650847729.db2.gz NHZFRGAFUGQPIA-ZNMIVQPWSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)=O ZINC001018190453 650847730 /nfs/dbraw/zinc/84/77/30/650847730.db2.gz NHZFRGAFUGQPIA-ZNMIVQPWSA-N 1 2 289.379 0.306 20 30 CCEDLO C[C@H](CC(=O)N[C@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000848129964 643597914 /nfs/dbraw/zinc/59/79/14/643597914.db2.gz CWQGDXDCEIQMLY-ZJUUUORDSA-N 1 2 266.301 0.331 20 30 CCEDLO O=S1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848417787 643634389 /nfs/dbraw/zinc/63/43/89/643634389.db2.gz FBAYQNXSSKPWMR-UHFFFAOYSA-N 1 2 254.359 0.761 20 30 CCEDLO C#C[C@H]1CCC[N@@H+]([C@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215039 643944548 /nfs/dbraw/zinc/94/45/48/643944548.db2.gz CHSJBQGNOMTHBF-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO C#C[C@H]1CCC[N@H+]([C@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215039 643944553 /nfs/dbraw/zinc/94/45/53/643944553.db2.gz CHSJBQGNOMTHBF-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO Cc1ccn(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(=O)c1C#N ZINC000853526475 644117111 /nfs/dbraw/zinc/11/71/11/644117111.db2.gz ZALKTWXNRBXQDY-ZDUSSCGKSA-N 1 2 298.350 0.600 20 30 CCEDLO Cc1ccn(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(=O)c1C#N ZINC000853526475 644117115 /nfs/dbraw/zinc/11/71/15/644117115.db2.gz ZALKTWXNRBXQDY-ZDUSSCGKSA-N 1 2 298.350 0.600 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001019404376 650969374 /nfs/dbraw/zinc/96/93/74/650969374.db2.gz LHFLXLQMHYLJSN-NSHDSACASA-N 1 2 283.763 0.680 20 30 CCEDLO O=S1(=O)CCC[C@H](NN=C2CC[N@@H+]3CCC[C@@H]23)C1 ZINC000863134364 645063381 /nfs/dbraw/zinc/06/33/81/645063381.db2.gz PYTMAONVPLFXGK-JQWIXIFHSA-N 1 2 271.386 0.377 20 30 CCEDLO O=S1(=O)CCC[C@H](NN=C2CC[N@H+]3CCC[C@@H]23)C1 ZINC000863134364 645063383 /nfs/dbraw/zinc/06/33/83/645063383.db2.gz PYTMAONVPLFXGK-JQWIXIFHSA-N 1 2 271.386 0.377 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001019602697 650991879 /nfs/dbraw/zinc/99/18/79/650991879.db2.gz PYGRVQOKPBKZSF-LBPRGKRZSA-N 1 2 296.334 0.595 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC(C)(C)CC#N ZINC000867935930 645685121 /nfs/dbraw/zinc/68/51/21/645685121.db2.gz RJWGCXNNTSUDLD-UHFFFAOYSA-N 1 2 270.358 0.779 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868715497 645807358 /nfs/dbraw/zinc/80/73/58/645807358.db2.gz PPVAFQLLOLZNLL-JXLSXLBDSA-N 1 2 266.341 0.335 20 30 CCEDLO C[C@@H](CC#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059400 645955018 /nfs/dbraw/zinc/95/50/18/645955018.db2.gz SNKAYPPBUUYIRI-STQMWFEESA-N 1 2 281.356 0.096 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870155402 645964904 /nfs/dbraw/zinc/96/49/04/645964904.db2.gz PYDJSDZTEFRMQF-UHFFFAOYSA-N 1 2 258.321 0.973 20 30 CCEDLO C#CCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000881986443 647361717 /nfs/dbraw/zinc/36/17/17/647361717.db2.gz CRQVMSAOWKCKIB-UHFFFAOYSA-N 1 2 255.343 0.606 20 30 CCEDLO Cc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(C#N)n1 ZINC000882067845 647368233 /nfs/dbraw/zinc/36/82/33/647368233.db2.gz UKGDTFWYWAQYCV-ZDUSSCGKSA-N 1 2 290.367 0.391 20 30 CCEDLO Cc1nc(C#N)cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000882350614 647401593 /nfs/dbraw/zinc/40/15/93/647401593.db2.gz HHHBSYHAZGVCMN-RISCZKNCSA-N 1 2 287.367 0.956 20 30 CCEDLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2C1 ZINC000884250233 647680815 /nfs/dbraw/zinc/68/08/15/647680815.db2.gz ZZRVMKXJIZEUEY-KBVBSXBZSA-N 1 2 273.340 0.376 20 30 CCEDLO Cc1ccncc1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930311818 648848032 /nfs/dbraw/zinc/84/80/32/648848032.db2.gz GBWQZAASSSCELL-CYBMUJFWSA-N 1 2 260.341 0.787 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000930649436 648886867 /nfs/dbraw/zinc/88/68/67/648886867.db2.gz CMJUDUZCINTIPU-ZJUUUORDSA-N 1 2 275.299 0.497 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000930649436 648886870 /nfs/dbraw/zinc/88/68/70/648886870.db2.gz CMJUDUZCINTIPU-ZJUUUORDSA-N 1 2 275.299 0.497 20 30 CCEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930928425 648928264 /nfs/dbraw/zinc/92/82/64/648928264.db2.gz FYANSKVSVPDSMP-JTQLQIEISA-N 1 2 267.354 0.095 20 30 CCEDLO C[C@@]1(C#N)CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000931061695 648941987 /nfs/dbraw/zinc/94/19/87/648941987.db2.gz BSNLULOSBVXBDM-NSHDSACASA-N 1 2 257.359 0.113 20 30 CCEDLO C[C@@]1(C#N)CC[N@@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000931061695 648941989 /nfs/dbraw/zinc/94/19/89/648941989.db2.gz BSNLULOSBVXBDM-NSHDSACASA-N 1 2 257.359 0.113 20 30 CCEDLO NC(Cc1ccccc1)=[NH+]OCC1(CO)COC1 ZINC000304974540 649840610 /nfs/dbraw/zinc/84/06/10/649840610.db2.gz AZSWCROBEJPLAF-UHFFFAOYSA-N 1 2 250.298 0.527 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230614879 805631945 /nfs/dbraw/zinc/63/19/45/805631945.db2.gz TVLXRXLHIYPWEL-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230614879 805631950 /nfs/dbraw/zinc/63/19/50/805631950.db2.gz TVLXRXLHIYPWEL-LBPRGKRZSA-N 1 2 267.373 0.621 20 30 CCEDLO C#CCOCCC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001266275433 790380354 /nfs/dbraw/zinc/38/03/54/790380354.db2.gz YUFOZIZOEZNDTF-UHFFFAOYSA-N 1 2 281.381 0.731 20 30 CCEDLO C#CCOCCC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001266275433 790380365 /nfs/dbraw/zinc/38/03/65/790380365.db2.gz YUFOZIZOEZNDTF-UHFFFAOYSA-N 1 2 281.381 0.731 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273351 790374862 /nfs/dbraw/zinc/37/48/62/790374862.db2.gz QELQIAKRPSRKGV-UHFFFAOYSA-N 1 2 293.411 0.753 20 30 CCEDLO CCC(C)(C)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001266273351 790374873 /nfs/dbraw/zinc/37/48/73/790374873.db2.gz QELQIAKRPSRKGV-UHFFFAOYSA-N 1 2 293.411 0.753 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001266288679 790420596 /nfs/dbraw/zinc/42/05/96/790420596.db2.gz LYZSNNUKXSOELB-UHFFFAOYSA-N 1 2 286.397 0.045 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001266288679 790420606 /nfs/dbraw/zinc/42/06/06/790420606.db2.gz LYZSNNUKXSOELB-UHFFFAOYSA-N 1 2 286.397 0.045 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266299723 790460444 /nfs/dbraw/zinc/46/04/44/790460444.db2.gz XBHXBYASRSPJHG-NWDGAFQWSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001266299723 790460451 /nfs/dbraw/zinc/46/04/51/790460451.db2.gz XBHXBYASRSPJHG-NWDGAFQWSA-N 1 2 289.335 0.222 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](COC)OC ZINC001266494390 790786604 /nfs/dbraw/zinc/78/66/04/790786604.db2.gz QEQYCQHEQNWKFD-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](COC)OC ZINC001266494390 790786610 /nfs/dbraw/zinc/78/66/10/790786610.db2.gz QEQYCQHEQNWKFD-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO Cc1noc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125385403 790861185 /nfs/dbraw/zinc/86/11/85/790861185.db2.gz NNKDPFFFKQEKLG-UHFFFAOYSA-N 1 2 274.284 0.097 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)C)[C@H]2C1 ZINC001083212041 791090316 /nfs/dbraw/zinc/09/03/16/791090316.db2.gz BQGAFVQQLPJTPY-MELADBBJSA-N 1 2 264.369 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)C)[C@H]2C1 ZINC001083212041 791090320 /nfs/dbraw/zinc/09/03/20/791090320.db2.gz BQGAFVQQLPJTPY-MELADBBJSA-N 1 2 264.369 0.823 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(C)C)[C@H]2C1 ZINC001083212040 791091053 /nfs/dbraw/zinc/09/10/53/791091053.db2.gz BQGAFVQQLPJTPY-HZSPNIEDSA-N 1 2 264.369 0.823 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(C)C)[C@H]2C1 ZINC001083212040 791091060 /nfs/dbraw/zinc/09/10/60/791091060.db2.gz BQGAFVQQLPJTPY-HZSPNIEDSA-N 1 2 264.369 0.823 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798379 805668614 /nfs/dbraw/zinc/66/86/14/805668614.db2.gz RZZXKIBMAXXRQF-ZIAGYGMSSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C(C)C)C1=O ZINC001230798379 805668626 /nfs/dbraw/zinc/66/86/26/805668626.db2.gz RZZXKIBMAXXRQF-ZIAGYGMSSA-N 1 2 293.411 0.962 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231215398 805753690 /nfs/dbraw/zinc/75/36/90/805753690.db2.gz GEQKQGUCUCVRQQ-KBPBESRZSA-N 1 2 282.384 0.451 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231215398 805753693 /nfs/dbraw/zinc/75/36/93/805753693.db2.gz GEQKQGUCUCVRQQ-KBPBESRZSA-N 1 2 282.384 0.451 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC001277564694 805854946 /nfs/dbraw/zinc/85/49/46/805854946.db2.gz LAGJFMJWPYRRCL-UHFFFAOYSA-N 1 2 292.383 0.687 20 30 CCEDLO CN(C(=O)C#CC1CC1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001277593353 805876498 /nfs/dbraw/zinc/87/64/98/805876498.db2.gz GDBOQXSHPGGRJY-UHFFFAOYSA-N 1 2 299.374 0.441 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001277699956 805969167 /nfs/dbraw/zinc/96/91/67/805969167.db2.gz XAKDLALYTCHFSQ-NSHDSACASA-N 1 2 291.351 0.727 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001266716734 791176294 /nfs/dbraw/zinc/17/62/94/791176294.db2.gz OKVQOKKOJRFGNJ-GARJFASQSA-N 1 2 261.329 0.349 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001266716734 791176299 /nfs/dbraw/zinc/17/62/99/791176299.db2.gz OKVQOKKOJRFGNJ-GARJFASQSA-N 1 2 261.329 0.349 20 30 CCEDLO Cc1noc(C[NH2+][C@H](C)CNC(=O)CSCC#N)n1 ZINC001266923748 791354833 /nfs/dbraw/zinc/35/48/33/791354833.db2.gz ONGBVTKETDKFOW-MRVPVSSYSA-N 1 2 283.357 0.229 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549237 806080839 /nfs/dbraw/zinc/08/08/39/806080839.db2.gz KLMGUXACJWSDCC-MVXISAMASA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233549237 806080848 /nfs/dbraw/zinc/08/08/48/806080848.db2.gz KLMGUXACJWSDCC-MVXISAMASA-N 1 2 279.384 0.788 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)/C=C\c1ccco1 ZINC001267183273 791633297 /nfs/dbraw/zinc/63/32/97/791633297.db2.gz LECTXMVNYIZKKS-SREVYHEPSA-N 1 2 289.335 0.090 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)/C=C\c1ccco1 ZINC001267183273 791633301 /nfs/dbraw/zinc/63/33/01/791633301.db2.gz LECTXMVNYIZKKS-SREVYHEPSA-N 1 2 289.335 0.090 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038245479 791677971 /nfs/dbraw/zinc/67/79/71/791677971.db2.gz AAUJEKHZMIZWGO-SNVBAGLBSA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038245479 791677975 /nfs/dbraw/zinc/67/79/75/791677975.db2.gz AAUJEKHZMIZWGO-SNVBAGLBSA-N 1 2 282.294 0.586 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)NC ZINC001267214709 791685131 /nfs/dbraw/zinc/68/51/31/791685131.db2.gz AVGRFYSNPXLGKU-ZDUSSCGKSA-N 1 2 255.362 0.383 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001267214709 791685135 /nfs/dbraw/zinc/68/51/35/791685135.db2.gz AVGRFYSNPXLGKU-ZDUSSCGKSA-N 1 2 255.362 0.383 20 30 CCEDLO C=CC[N@H+](C)CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001267220072 791692339 /nfs/dbraw/zinc/69/23/39/791692339.db2.gz HFJOTEVXWQWHBO-UHFFFAOYSA-N 1 2 274.386 0.045 20 30 CCEDLO C=CC[N@@H+](C)CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001267220072 791692348 /nfs/dbraw/zinc/69/23/48/791692348.db2.gz HFJOTEVXWQWHBO-UHFFFAOYSA-N 1 2 274.386 0.045 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571131 806086335 /nfs/dbraw/zinc/08/63/35/806086335.db2.gz SICBEUKXYSBXKO-OBFMZJQYSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571131 806086343 /nfs/dbraw/zinc/08/63/43/806086343.db2.gz SICBEUKXYSBXKO-OBFMZJQYSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233633425 806100241 /nfs/dbraw/zinc/10/02/41/806100241.db2.gz APJPELYNEWYPDF-CQSZACIVSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233633425 806100246 /nfs/dbraw/zinc/10/02/46/806100246.db2.gz APJPELYNEWYPDF-CQSZACIVSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001233966448 806159646 /nfs/dbraw/zinc/15/96/46/806159646.db2.gz MBGYUCUXDXUHIP-CQSZACIVSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001233966448 806159651 /nfs/dbraw/zinc/15/96/51/806159651.db2.gz MBGYUCUXDXUHIP-CQSZACIVSA-N 1 2 293.411 0.847 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234604580 806283801 /nfs/dbraw/zinc/28/38/01/806283801.db2.gz QZFMQLZVDIZJIQ-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234604580 806283809 /nfs/dbraw/zinc/28/38/09/806283809.db2.gz QZFMQLZVDIZJIQ-STQMWFEESA-N 1 2 279.384 0.764 20 30 CCEDLO N#Cc1ccncc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237491913 806675500 /nfs/dbraw/zinc/67/55/00/806675500.db2.gz BJPXVBPPKRXOAQ-UHFFFAOYSA-N 1 2 280.353 0.695 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)n(C)n3)n2C)CC1 ZINC001121364591 799036277 /nfs/dbraw/zinc/03/62/77/799036277.db2.gz WIRJPUWFTNODLJ-UHFFFAOYSA-N 1 2 299.382 0.279 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607567 799059840 /nfs/dbraw/zinc/05/98/40/799059840.db2.gz OPHSGQQIVDQAQC-WFASDCNBSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607567 799059844 /nfs/dbraw/zinc/05/98/44/799059844.db2.gz OPHSGQQIVDQAQC-WFASDCNBSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121750041 799067904 /nfs/dbraw/zinc/06/79/04/799067904.db2.gz WCYIHVLGYUJARL-CMPLNLGQSA-N 1 2 294.355 0.265 20 30 CCEDLO C=CCCOCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121749403 799068664 /nfs/dbraw/zinc/06/86/64/799068664.db2.gz OGNIHCLLIGDFTF-GFCCVEGCSA-N 1 2 294.355 0.267 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@](C)(O)CC)n2CC)CC1 ZINC001121820785 799073641 /nfs/dbraw/zinc/07/36/41/799073641.db2.gz SNSAECCUVNUPEW-OAHLLOKOSA-N 1 2 291.399 0.671 20 30 CCEDLO C=C1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123695930 799456686 /nfs/dbraw/zinc/45/66/86/799456686.db2.gz XULJSAPSXMCPSH-UONOGXRCSA-N 1 2 280.416 0.982 20 30 CCEDLO C=C1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123695930 799456692 /nfs/dbraw/zinc/45/66/92/799456692.db2.gz XULJSAPSXMCPSH-UONOGXRCSA-N 1 2 280.416 0.982 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001124772384 799633681 /nfs/dbraw/zinc/63/36/81/799633681.db2.gz CFYNFWWGODYLCO-JTQLQIEISA-N 1 2 282.344 0.601 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(C#N)c1 ZINC001137699314 799683097 /nfs/dbraw/zinc/68/30/97/799683097.db2.gz DDYWMKGJZASPQO-ZFWWWQNUSA-N 1 2 276.336 0.742 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(C#N)c1 ZINC001137699314 799683100 /nfs/dbraw/zinc/68/31/00/799683100.db2.gz DDYWMKGJZASPQO-ZFWWWQNUSA-N 1 2 276.336 0.742 20 30 CCEDLO C#CC[NH+]1CCN(Cc2cn3ccncc3n2)CC1 ZINC001139698677 799832022 /nfs/dbraw/zinc/83/20/22/799832022.db2.gz DPYKFMWMKVOLJJ-UHFFFAOYSA-N 1 2 255.325 0.480 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001149892895 800306301 /nfs/dbraw/zinc/30/63/01/800306301.db2.gz GCOGGSZTLWYYEU-GIPNMCIBSA-N 1 2 262.313 0.568 20 30 CCEDLO C[C@@H]1CC(NC(=O)c2ccc(C[NH+](C)C)nc2)=NO1 ZINC001153393984 800627759 /nfs/dbraw/zinc/62/77/59/800627759.db2.gz CBPKXMCWLNUIGZ-SECBINFHSA-N 1 2 262.313 0.995 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncnc(Cl)c2C#N)C1 ZINC001155194491 800926524 /nfs/dbraw/zinc/92/65/24/800926524.db2.gz QFEMPQOWVVLXEM-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncnc(Cl)c2C#N)C1 ZINC001155194491 800926531 /nfs/dbraw/zinc/92/65/31/800926531.db2.gz QFEMPQOWVVLXEM-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(Cl)nc2C#N)C1 ZINC001155193008 800927206 /nfs/dbraw/zinc/92/72/06/800927206.db2.gz CGPUWRHMFOLKND-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNc2ncc(Cl)nc2C#N)C1 ZINC001155193008 800927209 /nfs/dbraw/zinc/92/72/09/800927209.db2.gz CGPUWRHMFOLKND-QMMMGPOBSA-N 1 2 267.720 0.744 20 30 CCEDLO N#Cc1c[nH]c2nc(N3CC[NH2+]C[C@@H]3C#N)ccc12 ZINC001156320278 801149996 /nfs/dbraw/zinc/14/99/96/801149996.db2.gz VHMFIUCOLHQEAF-JTQLQIEISA-N 1 2 252.281 0.736 20 30 CCEDLO COC(=O)c1cnc(N2CC[NH2+]C[C@@H]2C#N)c(C)c1 ZINC001156320014 801150204 /nfs/dbraw/zinc/15/02/04/801150204.db2.gz MFYZSMVVPXORAM-NSHDSACASA-N 1 2 260.297 0.478 20 30 CCEDLO N#Cc1ncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1C#N ZINC001157585411 801426822 /nfs/dbraw/zinc/42/68/22/801426822.db2.gz HWBUOESYDUABTO-SNVBAGLBSA-N 1 2 284.323 0.495 20 30 CCEDLO N#Cc1ncc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1C#N ZINC001157585411 801426827 /nfs/dbraw/zinc/42/68/27/801426827.db2.gz HWBUOESYDUABTO-SNVBAGLBSA-N 1 2 284.323 0.495 20 30 CCEDLO Cc1nc(C#N)cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157587657 801427445 /nfs/dbraw/zinc/42/74/45/801427445.db2.gz WGAGEQKLXYAGMS-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO Cc1nc(C#N)cc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157587657 801427447 /nfs/dbraw/zinc/42/74/47/801427447.db2.gz WGAGEQKLXYAGMS-LLVKDONJSA-N 1 2 273.340 0.932 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(Cl)c2C#N)C[NH2+]1 ZINC001158254890 801603797 /nfs/dbraw/zinc/60/37/97/801603797.db2.gz XMUCVLWIHSFIFR-XCBNKYQSSA-N 1 2 280.715 0.922 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(OC)c(C#N)cc1F ZINC001161950511 802256723 /nfs/dbraw/zinc/25/67/23/802256723.db2.gz UYPNCPCFWKBBQM-SECBINFHSA-N 1 2 282.275 0.403 20 30 CCEDLO Cc1c[nH+]c(NCCN2CCCS2(=O)=O)c(/C=N/O)c1 ZINC001162782050 802415062 /nfs/dbraw/zinc/41/50/62/802415062.db2.gz AOTXLRZKSNIXRV-OQLLNIDSSA-N 1 2 298.368 0.646 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001278850739 808333345 /nfs/dbraw/zinc/33/33/45/808333345.db2.gz IMHNFIGXVYLMMF-NSHDSACASA-N 1 2 250.342 0.219 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)c(C#N)c(C)n2)C[NH2+]1 ZINC001164304829 802714342 /nfs/dbraw/zinc/71/43/42/802714342.db2.gz HKVREDFRDLWWRV-JQWIXIFHSA-N 1 2 274.324 0.886 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cnc3[nH]cc(C#N)c3c2)C[NH2+]1 ZINC001164308482 802716891 /nfs/dbraw/zinc/71/68/91/802716891.db2.gz LWVBPSLYUGULOB-JQWIXIFHSA-N 1 2 285.307 0.750 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc(/C=N/O)c2)C[NH2+]1 ZINC001164308443 802717014 /nfs/dbraw/zinc/71/70/14/802717014.db2.gz KPRIECXTFVUJIJ-WVVQMSQFSA-N 1 2 263.297 0.810 20 30 CCEDLO N#C[C@@H]1C[NH2+]CCN1c1ccnc(N2CCCCC2)n1 ZINC001164661408 802776326 /nfs/dbraw/zinc/77/63/26/802776326.db2.gz LSGCFUYSMBXGAM-GFCCVEGCSA-N 1 2 272.356 0.769 20 30 CCEDLO CON(C)C(=O)c1ccnc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164662235 802777333 /nfs/dbraw/zinc/77/73/33/802777333.db2.gz SUSVTLMQXXJTFS-LLVKDONJSA-N 1 2 275.312 0.017 20 30 CCEDLO N#CCNCC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165373676 802829578 /nfs/dbraw/zinc/82/95/78/802829578.db2.gz LKBRBUQHNRMEGW-UHFFFAOYSA-N 1 2 275.356 0.742 20 30 CCEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1=CCCC1 ZINC001206867195 803296281 /nfs/dbraw/zinc/29/62/81/803296281.db2.gz PKCBZLVOOKAGQS-DGCLKSJQSA-N 1 2 290.367 0.173 20 30 CCEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)C1=CCCC1 ZINC001206867195 803296284 /nfs/dbraw/zinc/29/62/84/803296284.db2.gz PKCBZLVOOKAGQS-DGCLKSJQSA-N 1 2 290.367 0.173 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC1(C)COC1 ZINC001207791272 803451259 /nfs/dbraw/zinc/45/12/59/803451259.db2.gz LYMNFBOVIMKQJL-ZDUSSCGKSA-N 1 2 292.383 0.953 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC1(C)COC1 ZINC001207791272 803451262 /nfs/dbraw/zinc/45/12/62/803451262.db2.gz LYMNFBOVIMKQJL-ZDUSSCGKSA-N 1 2 292.383 0.953 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC3)[C@H]2C1 ZINC001217177171 803872956 /nfs/dbraw/zinc/87/29/56/803872956.db2.gz RPGHIVFDVKPQCR-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC3)[C@H]2C1 ZINC001217177171 803872963 /nfs/dbraw/zinc/87/29/63/803872963.db2.gz RPGHIVFDVKPQCR-LSDHHAIUSA-N 1 2 292.379 0.348 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211999537 814972953 /nfs/dbraw/zinc/97/29/53/814972953.db2.gz OQTMWAXXDSZOPY-ZIAGYGMSSA-N 1 2 280.368 0.418 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211999537 814972955 /nfs/dbraw/zinc/97/29/55/814972955.db2.gz OQTMWAXXDSZOPY-ZIAGYGMSSA-N 1 2 280.368 0.418 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC3CC3)[C@H]2C1 ZINC001217463901 803893604 /nfs/dbraw/zinc/89/36/04/803893604.db2.gz UZKIRPMUALETOE-AEGPPILISA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OCC3CC3)[C@H]2C1 ZINC001217463901 803893607 /nfs/dbraw/zinc/89/36/07/803893607.db2.gz UZKIRPMUALETOE-AEGPPILISA-N 1 2 292.379 0.346 20 30 CCEDLO CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212044826 814984823 /nfs/dbraw/zinc/98/48/23/814984823.db2.gz BHHZNAWLVMQXDL-PXLFNHBNSA-N 1 2 271.748 0.714 20 30 CCEDLO CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212044826 814984830 /nfs/dbraw/zinc/98/48/30/814984830.db2.gz BHHZNAWLVMQXDL-PXLFNHBNSA-N 1 2 271.748 0.714 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001276793372 804091521 /nfs/dbraw/zinc/09/15/21/804091521.db2.gz RGEAXBIRGASYCQ-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001276793372 804091528 /nfs/dbraw/zinc/09/15/28/804091528.db2.gz RGEAXBIRGASYCQ-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001276793370 804092142 /nfs/dbraw/zinc/09/21/42/804092142.db2.gz RGEAXBIRGASYCQ-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001276793370 804092155 /nfs/dbraw/zinc/09/21/55/804092155.db2.gz RGEAXBIRGASYCQ-AWEZNQCLSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001219334597 804274246 /nfs/dbraw/zinc/27/42/46/804274246.db2.gz AXHIVGOBHNSNOE-YUTCNCBUSA-N 1 2 290.367 0.665 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001219334597 804274256 /nfs/dbraw/zinc/27/42/56/804274256.db2.gz AXHIVGOBHNSNOE-YUTCNCBUSA-N 1 2 290.367 0.665 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)c1 ZINC001219591786 804362357 /nfs/dbraw/zinc/36/23/57/804362357.db2.gz UQSGKKSYQVBJAX-CVEARBPZSA-N 1 2 299.374 0.465 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)c1 ZINC001219591786 804362362 /nfs/dbraw/zinc/36/23/62/804362362.db2.gz UQSGKKSYQVBJAX-CVEARBPZSA-N 1 2 299.374 0.465 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001220141476 804511616 /nfs/dbraw/zinc/51/16/16/804511616.db2.gz TXODDUCYPFXVCJ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001220141476 804511623 /nfs/dbraw/zinc/51/16/23/804511623.db2.gz TXODDUCYPFXVCJ-OLZOCXBDSA-N 1 2 293.367 0.857 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC2CC2)[C@@H](O)C1 ZINC001220187818 804531597 /nfs/dbraw/zinc/53/15/97/804531597.db2.gz LRRGYFKBOSABOH-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)[C@@H](O)C1 ZINC001220187818 804531602 /nfs/dbraw/zinc/53/16/02/804531602.db2.gz LRRGYFKBOSABOH-CABCVRRESA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H](O)C1 ZINC001220321403 804573186 /nfs/dbraw/zinc/57/31/86/804573186.db2.gz ZKZLDYVHUZXNAZ-BDAKNGLRSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H](O)C1 ZINC001220321403 804573191 /nfs/dbraw/zinc/57/31/91/804573191.db2.gz ZKZLDYVHUZXNAZ-BDAKNGLRSA-N 1 2 260.284 0.072 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCOCC2)[C@@H](O)C1 ZINC001220871488 804685317 /nfs/dbraw/zinc/68/53/17/804685317.db2.gz ICISAYQHDOENAL-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCOCC2)[C@@H](O)C1 ZINC001220871488 804685321 /nfs/dbraw/zinc/68/53/21/804685321.db2.gz ICISAYQHDOENAL-KGLIPLIRSA-N 1 2 292.379 0.154 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001276842218 804934956 /nfs/dbraw/zinc/93/49/56/804934956.db2.gz LKUKCAODZDIKFA-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001276842218 804934963 /nfs/dbraw/zinc/93/49/63/804934963.db2.gz LKUKCAODZDIKFA-STQMWFEESA-N 1 2 277.368 0.067 20 30 CCEDLO CC1=C(OCCC[NH+]2CCOCC2)C(=O)[C@H](C)O1 ZINC001224870710 805087676 /nfs/dbraw/zinc/08/76/76/805087676.db2.gz TZNVCIQHCNDQNH-JTQLQIEISA-N 1 2 255.314 0.945 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1CCN(CC#N)CC1 ZINC001225278207 805118953 /nfs/dbraw/zinc/11/89/53/805118953.db2.gz MJALUCDWPCNMJA-UHFFFAOYSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001226626001 805257892 /nfs/dbraw/zinc/25/78/92/805257892.db2.gz SEQWTCRCMOSGSG-NSHDSACASA-N 1 2 273.340 0.717 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001226625980 805258207 /nfs/dbraw/zinc/25/82/07/805258207.db2.gz RKXJHIBDYXYAKA-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1C(=O)NO ZINC001227012430 805308691 /nfs/dbraw/zinc/30/86/91/805308691.db2.gz XNMFHXUFYJDIGI-NSHDSACASA-N 1 2 280.324 0.905 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)n[nH]1 ZINC001277349849 805497429 /nfs/dbraw/zinc/49/74/29/805497429.db2.gz ARNFPASCQDHIGZ-CZUORRHYSA-N 1 2 299.378 0.912 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)n[nH]1 ZINC001277349849 805497436 /nfs/dbraw/zinc/49/74/36/805497436.db2.gz ARNFPASCQDHIGZ-CZUORRHYSA-N 1 2 299.378 0.912 20 30 CCEDLO Cn1ccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c21 ZINC001229019577 805498230 /nfs/dbraw/zinc/49/82/30/805498230.db2.gz LXHYORRNJORVHE-LSVRBPJHSA-N 1 2 286.335 0.960 20 30 CCEDLO Cn1ccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c21 ZINC001229019577 805498233 /nfs/dbraw/zinc/49/82/33/805498233.db2.gz LXHYORRNJORVHE-LSVRBPJHSA-N 1 2 286.335 0.960 20 30 CCEDLO C=CCOC[C@@H](O)CN1CCC(F)(F)[C@H]([NH3+])C1 ZINC001246030144 807126784 /nfs/dbraw/zinc/12/67/84/807126784.db2.gz FAZPCUVBSBACIU-VHSXEESVSA-N 1 2 250.289 0.218 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246770786 807374289 /nfs/dbraw/zinc/37/42/89/807374289.db2.gz SLSMFVRZGYCNKQ-KBPBESRZSA-N 1 2 273.336 0.894 20 30 CCEDLO N#Cc1ccc(F)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251026403 807646674 /nfs/dbraw/zinc/64/66/74/807646674.db2.gz QWLKYCNKEPPXAA-LBPRGKRZSA-N 1 2 279.315 0.802 20 30 CCEDLO C#CCOC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001251832556 807713711 /nfs/dbraw/zinc/71/37/11/807713711.db2.gz MOIZPYKMMBWYMF-JQWIXIFHSA-N 1 2 250.298 0.558 20 30 CCEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001038488717 815149421 /nfs/dbraw/zinc/14/94/21/815149421.db2.gz QTXRTKLOTLPXQG-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001038488717 815149425 /nfs/dbraw/zinc/14/94/25/815149425.db2.gz QTXRTKLOTLPXQG-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001252454578 807870573 /nfs/dbraw/zinc/87/05/73/807870573.db2.gz RRGIJYXHXUVTGD-LBPRGKRZSA-N 1 2 286.372 0.759 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001252465197 807876888 /nfs/dbraw/zinc/87/68/88/807876888.db2.gz DGAFVQISFVLBFK-LBPRGKRZSA-N 1 2 264.325 0.708 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCc2c(ncn2C)C1 ZINC001252471625 807881114 /nfs/dbraw/zinc/88/11/14/807881114.db2.gz ZTUGVQLTMAECQR-NSHDSACASA-N 1 2 251.330 0.342 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCc2c(ncn2C)C1 ZINC001252471625 807881123 /nfs/dbraw/zinc/88/11/23/807881123.db2.gz ZTUGVQLTMAECQR-NSHDSACASA-N 1 2 251.330 0.342 20 30 CCEDLO C=CCOC[C@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001252499280 807896400 /nfs/dbraw/zinc/89/64/00/807896400.db2.gz YYMDCJUIAZFBTB-OLZOCXBDSA-N 1 2 297.355 0.037 20 30 CCEDLO C=CCOC[C@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001252499280 807896407 /nfs/dbraw/zinc/89/64/07/807896407.db2.gz YYMDCJUIAZFBTB-OLZOCXBDSA-N 1 2 297.355 0.037 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@](C)(O)C=C ZINC001252550570 807907875 /nfs/dbraw/zinc/90/78/75/807907875.db2.gz OMSVYJLHLMZKDA-UKRRQHHQSA-N 1 2 292.383 0.854 20 30 CCEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@](C)(O)C=C ZINC001252550570 807907879 /nfs/dbraw/zinc/90/78/79/807907879.db2.gz OMSVYJLHLMZKDA-UKRRQHHQSA-N 1 2 292.383 0.854 20 30 CCEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC001252579918 807914505 /nfs/dbraw/zinc/91/45/05/807914505.db2.gz ZKBUXUXCJKITEK-JSGCOSHPSA-N 1 2 271.357 0.871 20 30 CCEDLO CCOC(=O)C[C@H](O)C[NH2+]Cc1ncc(C#N)s1 ZINC001253811552 808150675 /nfs/dbraw/zinc/15/06/75/808150675.db2.gz ZABJDSJZYUFFKZ-QMMMGPOBSA-N 1 2 269.326 0.418 20 30 CCEDLO C#CC[C@H](NC1CC[NH+](CC(=O)OCC)CC1)C(=O)OC ZINC001254399184 808233165 /nfs/dbraw/zinc/23/31/65/808233165.db2.gz GNRCQLONRLNMHE-ZDUSSCGKSA-N 1 2 296.367 0.168 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N(C)[C@@H](C)C#N)CC1 ZINC001254412933 808236701 /nfs/dbraw/zinc/23/67/01/808236701.db2.gz YZONUCDGDHSRET-NSHDSACASA-N 1 2 253.346 0.858 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CC2(COC)CC2)C1 ZINC001278863775 808353521 /nfs/dbraw/zinc/35/35/21/808353521.db2.gz PRADMORDFDQAKV-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO C[C@@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@H]1C#N ZINC001255815576 808431247 /nfs/dbraw/zinc/43/12/47/808431247.db2.gz FWNYAQISMSSJOQ-QWHCGFSZSA-N 1 2 293.392 0.646 20 30 CCEDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cccc(C#N)c1 ZINC001259121170 808733955 /nfs/dbraw/zinc/73/39/55/808733955.db2.gz PKMWJCOGRICUAY-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cccc(C#N)c1 ZINC001259121170 808733957 /nfs/dbraw/zinc/73/39/57/808733957.db2.gz PKMWJCOGRICUAY-RYUDHWBXSA-N 1 2 277.349 0.635 20 30 CCEDLO C=CCS(=O)(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001259922972 808805240 /nfs/dbraw/zinc/80/52/40/808805240.db2.gz ZRLFQAOOORPRPN-UHFFFAOYSA-N 1 2 267.354 0.997 20 30 CCEDLO C=CCS(=O)(=O)Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001259922972 808805244 /nfs/dbraw/zinc/80/52/44/808805244.db2.gz ZRLFQAOOORPRPN-UHFFFAOYSA-N 1 2 267.354 0.997 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001262187625 809231860 /nfs/dbraw/zinc/23/18/60/809231860.db2.gz RROQZCUYIBQCSF-CYBMUJFWSA-N 1 2 287.363 0.822 20 30 CCEDLO CNC(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC001262287234 809267215 /nfs/dbraw/zinc/26/72/15/809267215.db2.gz YLGUEEJRPVSAHW-NSHDSACASA-N 1 2 263.345 0.823 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001264129430 809632452 /nfs/dbraw/zinc/63/24/52/809632452.db2.gz SJTMOSPYHKVWHZ-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001264129430 809632457 /nfs/dbraw/zinc/63/24/57/809632457.db2.gz SJTMOSPYHKVWHZ-NEPJUHHUSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC001265207958 809724972 /nfs/dbraw/zinc/72/49/72/809724972.db2.gz NWIOKDRELRCDNV-CYBMUJFWSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC001265207958 809724975 /nfs/dbraw/zinc/72/49/75/809724975.db2.gz NWIOKDRELRCDNV-CYBMUJFWSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001265278867 809743613 /nfs/dbraw/zinc/74/36/13/809743613.db2.gz LGPQLSSKPYROTK-ZDUSSCGKSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001265278867 809743618 /nfs/dbraw/zinc/74/36/18/809743618.db2.gz LGPQLSSKPYROTK-ZDUSSCGKSA-N 1 2 275.352 0.037 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001265303100 809752026 /nfs/dbraw/zinc/75/20/26/809752026.db2.gz BELGAADAPVEVIY-CYBMUJFWSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001265303100 809752030 /nfs/dbraw/zinc/75/20/30/809752030.db2.gz BELGAADAPVEVIY-CYBMUJFWSA-N 1 2 289.379 0.117 20 30 CCEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001265901591 809889154 /nfs/dbraw/zinc/88/91/54/809889154.db2.gz ZOTZSIYOOYFFKP-LBPRGKRZSA-N 1 2 276.340 0.872 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076656113 815327879 /nfs/dbraw/zinc/32/78/79/815327879.db2.gz ZEEGXBAFIUOPIV-ZIAGYGMSSA-N 1 2 259.309 0.239 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076656113 815327884 /nfs/dbraw/zinc/32/78/84/815327884.db2.gz ZEEGXBAFIUOPIV-ZIAGYGMSSA-N 1 2 259.309 0.239 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNCC#N ZINC001279183946 809972484 /nfs/dbraw/zinc/97/24/84/809972484.db2.gz TUJASJYDGVGOHZ-NEPJUHHUSA-N 1 2 275.356 0.170 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001076731274 815356145 /nfs/dbraw/zinc/35/61/45/815356145.db2.gz DECOHRDQCZZPPF-CHWSQXEVSA-N 1 2 262.309 0.305 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001076731274 815356152 /nfs/dbraw/zinc/35/61/52/815356152.db2.gz DECOHRDQCZZPPF-CHWSQXEVSA-N 1 2 262.309 0.305 20 30 CCEDLO Cc1nc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)oc1C ZINC001267355441 811204911 /nfs/dbraw/zinc/20/49/11/811204911.db2.gz RPOYUAZHLPMIFK-SECBINFHSA-N 1 2 264.329 0.999 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001077043886 815437402 /nfs/dbraw/zinc/43/74/02/815437402.db2.gz SRPBRSLKUQOCEJ-VXGBXAGGSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001077043886 815437403 /nfs/dbraw/zinc/43/74/03/815437403.db2.gz SRPBRSLKUQOCEJ-VXGBXAGGSA-N 1 2 292.310 0.242 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001267534235 811414028 /nfs/dbraw/zinc/41/40/28/811414028.db2.gz MFAVEQIKFUEGFU-BETUJISGSA-N 1 2 277.368 0.341 20 30 CCEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001267534235 811414034 /nfs/dbraw/zinc/41/40/34/811414034.db2.gz MFAVEQIKFUEGFU-BETUJISGSA-N 1 2 277.368 0.341 20 30 CCEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)nn1 ZINC001098168094 811503495 /nfs/dbraw/zinc/50/34/95/811503495.db2.gz STXKGDZBSCYYTR-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648332 811546456 /nfs/dbraw/zinc/54/64/56/811546456.db2.gz TVQFDGKLIUYBTG-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO CC(C)[C@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618362 811577107 /nfs/dbraw/zinc/57/71/07/811577107.db2.gz NJAAYDJBYRAPNI-HUUCEWRRSA-N 1 2 292.427 0.878 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267631484 811589826 /nfs/dbraw/zinc/58/98/26/811589826.db2.gz GHQJBAAHBRBHOB-STQMWFEESA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267631484 811589832 /nfs/dbraw/zinc/58/98/32/811589832.db2.gz GHQJBAAHBRBHOB-STQMWFEESA-N 1 2 291.395 0.669 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001077221468 815464203 /nfs/dbraw/zinc/46/42/03/815464203.db2.gz RPWZGGBSZFTHDC-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001077221468 815464205 /nfs/dbraw/zinc/46/42/05/815464205.db2.gz RPWZGGBSZFTHDC-TZMCWYRMSA-N 1 2 298.346 0.051 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001267700527 811664959 /nfs/dbraw/zinc/66/49/59/811664959.db2.gz QVUPKDFPZJPYGE-IHRRRGAJSA-N 1 2 291.395 0.456 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001267700527 811664967 /nfs/dbraw/zinc/66/49/67/811664967.db2.gz QVUPKDFPZJPYGE-IHRRRGAJSA-N 1 2 291.395 0.456 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001267740917 811721501 /nfs/dbraw/zinc/72/15/01/811721501.db2.gz ZPUZWGOTPVPXPU-VXGBXAGGSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001267740917 811721513 /nfs/dbraw/zinc/72/15/13/811721513.db2.gz ZPUZWGOTPVPXPU-VXGBXAGGSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615547 811788928 /nfs/dbraw/zinc/78/89/28/811788928.db2.gz VLYQWTWMCJKZQW-ZDUSSCGKSA-N 1 2 275.356 0.430 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)C)C2)nn1 ZINC001105232989 811868987 /nfs/dbraw/zinc/86/89/87/811868987.db2.gz CGBKKNHZABCZAF-UHFFFAOYSA-N 1 2 299.378 0.434 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001077336665 815483088 /nfs/dbraw/zinc/48/30/88/815483088.db2.gz GZVRHHICAIHRGZ-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001077336665 815483089 /nfs/dbraw/zinc/48/30/89/815483089.db2.gz GZVRHHICAIHRGZ-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001077399389 815492162 /nfs/dbraw/zinc/49/21/62/815492162.db2.gz HTEZCDONZPVNQX-NXEZZACHSA-N 1 2 281.312 0.034 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001077399389 815492166 /nfs/dbraw/zinc/49/21/66/815492166.db2.gz HTEZCDONZPVNQX-NXEZZACHSA-N 1 2 281.312 0.034 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125994805 811971766 /nfs/dbraw/zinc/97/17/66/811971766.db2.gz LGVYAPCYFYKTFI-MRVPVSSYSA-N 1 2 288.311 0.658 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001083309981 812056969 /nfs/dbraw/zinc/05/69/69/812056969.db2.gz XCUBVZLVADTFCW-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001083309981 812056976 /nfs/dbraw/zinc/05/69/76/812056976.db2.gz XCUBVZLVADTFCW-OLZOCXBDSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001075583905 812101990 /nfs/dbraw/zinc/10/19/90/812101990.db2.gz NZTYWPLZKRUEAK-VHSXEESVSA-N 1 2 262.338 0.318 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001075583905 812101994 /nfs/dbraw/zinc/10/19/94/812101994.db2.gz NZTYWPLZKRUEAK-VHSXEESVSA-N 1 2 262.338 0.318 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001027888347 812120221 /nfs/dbraw/zinc/12/02/21/812120221.db2.gz MQMAZSPWWRMPSI-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001027888347 812120229 /nfs/dbraw/zinc/12/02/29/812120229.db2.gz MQMAZSPWWRMPSI-SNVBAGLBSA-N 1 2 279.365 0.979 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001027988223 812197144 /nfs/dbraw/zinc/19/71/44/812197144.db2.gz SHHYAUIGZWFCPP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001027988223 812197147 /nfs/dbraw/zinc/19/71/47/812197147.db2.gz SHHYAUIGZWFCPP-VXGBXAGGSA-N 1 2 299.802 0.846 20 30 CCEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001028120879 812293300 /nfs/dbraw/zinc/29/33/00/812293300.db2.gz YQYPZYRUWHPAES-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001028120879 812293304 /nfs/dbraw/zinc/29/33/04/812293304.db2.gz YQYPZYRUWHPAES-VIFPVBQESA-N 1 2 252.293 0.929 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C1(C)CCCC1 ZINC001268244114 812411930 /nfs/dbraw/zinc/41/19/30/812411930.db2.gz XEZIHSSBDOVCAE-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C1(C)CCCC1 ZINC001268244114 812411938 /nfs/dbraw/zinc/41/19/38/812411938.db2.gz XEZIHSSBDOVCAE-UHFFFAOYSA-N 1 2 294.399 0.597 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C2CCC(O)CC2)C1 ZINC001268279832 812442758 /nfs/dbraw/zinc/44/27/58/812442758.db2.gz ITWSJYJBSIYWCN-UHFFFAOYSA-N 1 2 282.384 0.541 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001075620752 812494745 /nfs/dbraw/zinc/49/47/45/812494745.db2.gz BNNLDPDTWCBQEF-NTZNESFSSA-N 1 2 288.355 0.007 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001075620752 812494750 /nfs/dbraw/zinc/49/47/50/812494750.db2.gz BNNLDPDTWCBQEF-NTZNESFSSA-N 1 2 288.355 0.007 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccnc(C#N)n1 ZINC001100380719 812547543 /nfs/dbraw/zinc/54/75/43/812547543.db2.gz ZRWWPZOPVBBHTA-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccnc(C#N)n1 ZINC001100380719 812547547 /nfs/dbraw/zinc/54/75/47/812547547.db2.gz ZRWWPZOPVBBHTA-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001083324127 812548362 /nfs/dbraw/zinc/54/83/62/812548362.db2.gz MAKKGYCAYPTHKS-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001083324127 812548365 /nfs/dbraw/zinc/54/83/65/812548365.db2.gz MAKKGYCAYPTHKS-NEPJUHHUSA-N 1 2 262.309 0.386 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 ZINC001268496089 812706707 /nfs/dbraw/zinc/70/67/07/812706707.db2.gz OEZOECMYPJNOOV-OAHLLOKOSA-N 1 2 291.395 0.457 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001126384549 812846499 /nfs/dbraw/zinc/84/64/99/812846499.db2.gz OUCDBTYHDKLQSC-YGRLFVJLSA-N 1 2 296.371 0.726 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC001083337691 812884848 /nfs/dbraw/zinc/88/48/48/812884848.db2.gz DHBIRVVUZSDRNZ-NEPJUHHUSA-N 1 2 281.743 0.466 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC001083337691 812884857 /nfs/dbraw/zinc/88/48/57/812884857.db2.gz DHBIRVVUZSDRNZ-NEPJUHHUSA-N 1 2 281.743 0.466 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@@H](O)C1 ZINC001083383953 812926199 /nfs/dbraw/zinc/92/61/99/812926199.db2.gz FCYKRUWZBAGQSF-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)[C@@H](O)C1 ZINC001083383953 812926201 /nfs/dbraw/zinc/92/62/01/812926201.db2.gz FCYKRUWZBAGQSF-KGLIPLIRSA-N 1 2 273.336 0.188 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N)o1 ZINC001268639467 812961864 /nfs/dbraw/zinc/96/18/64/812961864.db2.gz JKMGEHGWRUXYDM-HTQZYQBOSA-N 1 2 251.290 0.132 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H](C)C#N ZINC001268726365 813042079 /nfs/dbraw/zinc/04/20/79/813042079.db2.gz PONQMBZXLADJNJ-WDEREUQCSA-N 1 2 263.345 0.516 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H](C)C#N ZINC001268726365 813042088 /nfs/dbraw/zinc/04/20/88/813042088.db2.gz PONQMBZXLADJNJ-WDEREUQCSA-N 1 2 263.345 0.516 20 30 CCEDLO N#CCN1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638295 813087171 /nfs/dbraw/zinc/08/71/71/813087171.db2.gz GAXZGHFPRQRIRG-STQMWFEESA-N 1 2 287.367 0.407 20 30 CCEDLO C#CCCCC(=O)NCC1C[NH+](CC(=O)NCC=C)C1 ZINC001268822165 813102405 /nfs/dbraw/zinc/10/24/05/813102405.db2.gz FUIJGACZRHEZOH-UHFFFAOYSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001268828745 813106299 /nfs/dbraw/zinc/10/62/99/813106299.db2.gz KZBSFQSGWDTYDI-LBPRGKRZSA-N 1 2 291.351 0.569 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001268888632 813133416 /nfs/dbraw/zinc/13/34/16/813133416.db2.gz XMLNAIWHVYZZCP-UHFFFAOYSA-N 1 2 288.413 0.435 20 30 CCEDLO C=CC[C@H](C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001268907856 813140684 /nfs/dbraw/zinc/14/06/84/813140684.db2.gz VEDGHVLQIZYECZ-QJPTWQEYSA-N 1 2 290.367 0.660 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001268968736 813164742 /nfs/dbraw/zinc/16/47/42/813164742.db2.gz YIBPWRAKBBHMGM-MCIONIFRSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001268968736 813164747 /nfs/dbraw/zinc/16/47/47/813164747.db2.gz YIBPWRAKBBHMGM-MCIONIFRSA-N 1 2 293.411 0.962 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H](NC(=O)C#CC2CC2)C2CC2)n1 ZINC001269066742 813204603 /nfs/dbraw/zinc/20/46/03/813204603.db2.gz LMWIWTWZNSXPOC-ZDUSSCGKSA-N 1 2 288.351 0.776 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001269267485 813297887 /nfs/dbraw/zinc/29/78/87/813297887.db2.gz YYTHMLXRIMPEAL-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001269267485 813297893 /nfs/dbraw/zinc/29/78/93/813297893.db2.gz YYTHMLXRIMPEAL-OLZOCXBDSA-N 1 2 250.342 0.625 20 30 CCEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(CC#N)C1 ZINC001269348382 813334881 /nfs/dbraw/zinc/33/48/81/813334881.db2.gz KGVPYOHWECGNMQ-NSHDSACASA-N 1 2 261.329 0.399 20 30 CCEDLO C#CCN1CC[C@]2(CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001269568913 813424870 /nfs/dbraw/zinc/42/48/70/813424870.db2.gz GQHVPTNUCVPDFQ-OAHLLOKOSA-N 1 2 286.335 0.179 20 30 CCEDLO C#CCCCC(=O)N(C)C1C[NH+](CCN2CCCC2=O)C1 ZINC001269781709 813507347 /nfs/dbraw/zinc/50/73/47/813507347.db2.gz XMQOWTMMUONGPB-UHFFFAOYSA-N 1 2 291.395 0.555 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)COC(C)C)C1 ZINC001270629158 813854231 /nfs/dbraw/zinc/85/42/31/813854231.db2.gz MODVLJHZUSTGDL-GFCCVEGCSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)COC(C)C)C1 ZINC001270629158 813854242 /nfs/dbraw/zinc/85/42/42/813854242.db2.gz MODVLJHZUSTGDL-GFCCVEGCSA-N 1 2 256.346 0.414 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001038430142 813934107 /nfs/dbraw/zinc/93/41/07/813934107.db2.gz CTKBZGNFWFWTAL-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001038430142 813934115 /nfs/dbraw/zinc/93/41/15/813934115.db2.gz CTKBZGNFWFWTAL-ZDUSSCGKSA-N 1 2 297.362 0.783 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2[nH]cnc2CC)C1 ZINC001271379993 814396794 /nfs/dbraw/zinc/39/67/94/814396794.db2.gz BTIMYEFUPRWTOY-UHFFFAOYSA-N 1 2 278.356 0.325 20 30 CCEDLO CC[C@H](C[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1)OC ZINC001280406352 814477170 /nfs/dbraw/zinc/47/71/70/814477170.db2.gz NMYHSMARDXYACW-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO CC[C@H](C[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1)OC ZINC001280406352 814477176 /nfs/dbraw/zinc/47/71/76/814477176.db2.gz NMYHSMARDXYACW-LSDHHAIUSA-N 1 2 294.395 0.642 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075865039 814587983 /nfs/dbraw/zinc/58/79/83/814587983.db2.gz BHXFEWMLGDBACJ-WCQYABFASA-N 1 2 273.340 0.399 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075865039 814587985 /nfs/dbraw/zinc/58/79/85/814587985.db2.gz BHXFEWMLGDBACJ-WCQYABFASA-N 1 2 273.340 0.399 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@@H](O)C1 ZINC001083661581 815629546 /nfs/dbraw/zinc/62/95/46/815629546.db2.gz GYHZHXWSCIKWAK-KHMAMNHCSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@@H](O)C1 ZINC001083661581 815629555 /nfs/dbraw/zinc/62/95/55/815629555.db2.gz GYHZHXWSCIKWAK-KHMAMNHCSA-N 1 2 276.380 0.607 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC)nc2)C1 ZINC001030397707 816013569 /nfs/dbraw/zinc/01/35/69/816013569.db2.gz JUONIHNHYDHVAP-UHFFFAOYSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3cccn3cn2)C1 ZINC001030508544 816076909 /nfs/dbraw/zinc/07/69/09/816076909.db2.gz WUECJPZHFJRMLK-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001030539084 816096323 /nfs/dbraw/zinc/09/63/23/816096323.db2.gz AYVQSNIFYAPKGM-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001030588373 816128427 /nfs/dbraw/zinc/12/84/27/816128427.db2.gz SWAFIOPFKHCYJW-WDEREUQCSA-N 1 2 265.357 0.278 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OCC)C1 ZINC001030692170 816224836 /nfs/dbraw/zinc/22/48/36/816224836.db2.gz AXTJLUQEYMNDFM-HIFRSBDPSA-N 1 2 294.395 0.642 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001030741927 816258676 /nfs/dbraw/zinc/25/86/76/816258676.db2.gz HSEXFYYWXPTKOT-HNNXBMFYSA-N 1 2 293.411 0.474 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001030741927 816258683 /nfs/dbraw/zinc/25/86/83/816258683.db2.gz HSEXFYYWXPTKOT-HNNXBMFYSA-N 1 2 293.411 0.474 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#C)cc2)C1 ZINC001077494060 816289074 /nfs/dbraw/zinc/28/90/74/816289074.db2.gz YQMOYDNHUXBDPK-HUUCEWRRSA-N 1 2 268.316 0.076 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#C)cc2)C1 ZINC001077494060 816289077 /nfs/dbraw/zinc/28/90/77/816289077.db2.gz YQMOYDNHUXBDPK-HUUCEWRRSA-N 1 2 268.316 0.076 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](O)C1 ZINC001083683944 816345418 /nfs/dbraw/zinc/34/54/18/816345418.db2.gz YFPXPTVBXSHTHC-OLZOCXBDSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](O)C1 ZINC001083683944 816345423 /nfs/dbraw/zinc/34/54/23/816345423.db2.gz YFPXPTVBXSHTHC-OLZOCXBDSA-N 1 2 292.310 0.242 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3nn2)[C@@H](O)C1 ZINC001083687152 816397319 /nfs/dbraw/zinc/39/73/19/816397319.db2.gz CXQZUTKCBJTXCQ-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3nn2)[C@@H](O)C1 ZINC001083687152 816397327 /nfs/dbraw/zinc/39/73/27/816397327.db2.gz CXQZUTKCBJTXCQ-CABCVRRESA-N 1 2 296.330 0.038 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(=O)n2C)C1 ZINC001030929821 816449188 /nfs/dbraw/zinc/44/91/88/816449188.db2.gz ZSZNQRHLEKVBPJ-UHFFFAOYSA-N 1 2 261.325 0.375 20 30 CCEDLO C#CCN1C(=O)COCC12C[NH+](CCCC(F)(F)F)C2 ZINC001272504986 816519364 /nfs/dbraw/zinc/51/93/64/816519364.db2.gz AUQYKRGGYOPKHO-UHFFFAOYSA-N 1 2 290.285 0.875 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001030977102 816524395 /nfs/dbraw/zinc/52/43/95/816524395.db2.gz CCMOZIJSYNRTLK-NEPJUHHUSA-N 1 2 254.330 0.024 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](O)C1 ZINC001083709574 816559225 /nfs/dbraw/zinc/55/92/25/816559225.db2.gz WWQKOROJBSZYDM-OLZOCXBDSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](O)C1 ZINC001083709574 816559226 /nfs/dbraw/zinc/55/92/26/816559226.db2.gz WWQKOROJBSZYDM-OLZOCXBDSA-N 1 2 262.353 0.361 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272542373 816565530 /nfs/dbraw/zinc/56/55/30/816565530.db2.gz WBMHFIQOCYSMMG-HNNXBMFYSA-N 1 2 290.367 0.789 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc[nH]n3)C2)OCC1=O ZINC001272542373 816565532 /nfs/dbraw/zinc/56/55/32/816565532.db2.gz WBMHFIQOCYSMMG-HNNXBMFYSA-N 1 2 290.367 0.789 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001031028432 816578587 /nfs/dbraw/zinc/57/85/87/816578587.db2.gz LTWDEEKQSKCORD-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H](O)C1 ZINC001083710176 816593683 /nfs/dbraw/zinc/59/36/83/816593683.db2.gz UUXGTSBDWLTDQL-TUAOUCFPSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H](O)C1 ZINC001083710176 816593686 /nfs/dbraw/zinc/59/36/86/816593686.db2.gz UUXGTSBDWLTDQL-TUAOUCFPSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001031039128 816596498 /nfs/dbraw/zinc/59/64/98/816596498.db2.gz XZMCFHJPLWAYQN-NEPJUHHUSA-N 1 2 277.368 0.102 20 30 CCEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cc1 ZINC001031067123 816620699 /nfs/dbraw/zinc/62/06/99/816620699.db2.gz SLJQDYGSCKBFFR-GFCCVEGCSA-N 1 2 288.347 0.493 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001015479311 816647309 /nfs/dbraw/zinc/64/73/09/816647309.db2.gz ARGOECMYERDMMK-RISCZKNCSA-N 1 2 285.347 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001015479311 816647316 /nfs/dbraw/zinc/64/73/16/816647316.db2.gz ARGOECMYERDMMK-RISCZKNCSA-N 1 2 285.347 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001077531312 816658160 /nfs/dbraw/zinc/65/81/60/816658160.db2.gz BQNFRQSBARZNBJ-JHJVBQTASA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001077531312 816658163 /nfs/dbraw/zinc/65/81/63/816658163.db2.gz BQNFRQSBARZNBJ-JHJVBQTASA-N 1 2 264.369 0.607 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127327451 816746958 /nfs/dbraw/zinc/74/69/58/816746958.db2.gz MEJXNNFYJUFBDZ-LBPRGKRZSA-N 1 2 290.367 0.185 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001083731388 816790618 /nfs/dbraw/zinc/79/06/18/816790618.db2.gz WDTGLOYOKCSNRS-ZJUUUORDSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001083731388 816790619 /nfs/dbraw/zinc/79/06/19/816790619.db2.gz WDTGLOYOKCSNRS-ZJUUUORDSA-N 1 2 284.262 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)C1 ZINC001083738828 816896753 /nfs/dbraw/zinc/89/67/53/816896753.db2.gz ZYCGGONCOFMEFI-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)C1 ZINC001083738828 816896759 /nfs/dbraw/zinc/89/67/59/816896759.db2.gz ZYCGGONCOFMEFI-CABCVRRESA-N 1 2 283.331 0.576 20 30 CCEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001031311305 816958204 /nfs/dbraw/zinc/95/82/04/816958204.db2.gz NWSWXYDJUAPRPN-LLVKDONJSA-N 1 2 265.357 0.422 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)[C@@H](O)C1 ZINC001083745160 816964742 /nfs/dbraw/zinc/96/47/42/816964742.db2.gz UGAQQVZFYDVUBA-CABCVRRESA-N 1 2 288.347 0.412 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)[C@@H](O)C1 ZINC001083745160 816964748 /nfs/dbraw/zinc/96/47/48/816964748.db2.gz UGAQQVZFYDVUBA-CABCVRRESA-N 1 2 288.347 0.412 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001031319072 816975094 /nfs/dbraw/zinc/97/50/94/816975094.db2.gz HEMKFRYASBAKLK-UHFFFAOYSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncc3n2CCCC3)C1 ZINC001031409525 817038284 /nfs/dbraw/zinc/03/82/84/817038284.db2.gz USJLSPCHAXTIBM-UHFFFAOYSA-N 1 2 272.352 0.657 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2noc3c2COCC3)C1 ZINC001031418133 817041482 /nfs/dbraw/zinc/04/14/82/817041482.db2.gz SYWIVUUHZMZUBY-UHFFFAOYSA-N 1 2 277.324 0.737 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001031485736 817077865 /nfs/dbraw/zinc/07/78/65/817077865.db2.gz MEGIZEBKYBQNEK-LLVKDONJSA-N 1 2 288.395 0.964 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031558578 817135006 /nfs/dbraw/zinc/13/50/06/817135006.db2.gz ZJKYXCBJTUANRM-UHFFFAOYSA-N 1 2 254.721 0.824 20 30 CCEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001031951819 817489353 /nfs/dbraw/zinc/48/93/53/817489353.db2.gz PPVYOTXFTOUCLH-UHFFFAOYSA-N 1 2 265.357 0.266 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031978492 817516259 /nfs/dbraw/zinc/51/62/59/817516259.db2.gz UKCLCZUMONWING-UHFFFAOYSA-N 1 2 296.758 0.528 20 30 CCEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCOCC1 ZINC001149324809 817606131 /nfs/dbraw/zinc/60/61/31/817606131.db2.gz BNIZJDDPWMJXKJ-UHFFFAOYSA-N 1 2 294.355 0.648 20 30 CCEDLO CO[C@H](C)c1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124888004 817615784 /nfs/dbraw/zinc/61/57/84/817615784.db2.gz CTLDEFCPAIHNSS-DTWKUNHWSA-N 1 2 281.316 0.142 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888037 817667288 /nfs/dbraw/zinc/66/72/88/817667288.db2.gz CDMHVEGMKCLKJO-CRWXNKLISA-N 1 2 299.378 0.149 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1ncn[nH]1 ZINC001089888037 817667290 /nfs/dbraw/zinc/66/72/90/817667290.db2.gz CDMHVEGMKCLKJO-CRWXNKLISA-N 1 2 299.378 0.149 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C ZINC001032293830 817794984 /nfs/dbraw/zinc/79/49/84/817794984.db2.gz FWMYWXMBUHTFDD-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C ZINC001032293830 817794987 /nfs/dbraw/zinc/79/49/87/817794987.db2.gz FWMYWXMBUHTFDD-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO N#Cc1cnc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001107312226 817833639 /nfs/dbraw/zinc/83/36/39/817833639.db2.gz LXQZOMOHRKBVDG-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001077587271 817850657 /nfs/dbraw/zinc/85/06/57/817850657.db2.gz ABHICPDXKFBSAL-HUUCEWRRSA-N 1 2 272.348 0.657 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001077587271 817850664 /nfs/dbraw/zinc/85/06/64/817850664.db2.gz ABHICPDXKFBSAL-HUUCEWRRSA-N 1 2 272.348 0.657 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107738466 817977346 /nfs/dbraw/zinc/97/73/46/817977346.db2.gz YCUJJPVFGOJQAP-HNNXBMFYSA-N 1 2 290.367 0.114 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107738466 817977351 /nfs/dbraw/zinc/97/73/51/817977351.db2.gz YCUJJPVFGOJQAP-HNNXBMFYSA-N 1 2 290.367 0.114 20 30 CCEDLO N#CCN[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829344 818056800 /nfs/dbraw/zinc/05/68/00/818056800.db2.gz FOHHMHALUIDQHW-NWDGAFQWSA-N 1 2 273.340 0.424 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070683 818530967 /nfs/dbraw/zinc/53/09/67/818530967.db2.gz DZEYUSXTRUWZHC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070683 818530975 /nfs/dbraw/zinc/53/09/75/818530975.db2.gz DZEYUSXTRUWZHC-OAHLLOKOSA-N 1 2 294.395 0.643 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nc(C)no1)OCC ZINC001128529098 818610036 /nfs/dbraw/zinc/61/00/36/818610036.db2.gz YFZIHAJHIFKCIU-GFCCVEGCSA-N 1 2 296.371 0.955 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(CC#N)C1 ZINC001033212012 818654258 /nfs/dbraw/zinc/65/42/58/818654258.db2.gz OLKRHGXJQDWQJV-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033640609 818864947 /nfs/dbraw/zinc/86/49/47/818864947.db2.gz REZMHDPJCHZDEW-NSHDSACASA-N 1 2 283.763 0.563 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033640609 818864950 /nfs/dbraw/zinc/86/49/50/818864950.db2.gz REZMHDPJCHZDEW-NSHDSACASA-N 1 2 283.763 0.563 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]nnc2C)C1 ZINC001108112956 819061090 /nfs/dbraw/zinc/06/10/90/819061090.db2.gz CCDQUYUEFBJBKX-ZDUSSCGKSA-N 1 2 279.344 0.120 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]nnc2C)C1 ZINC001108112956 819061092 /nfs/dbraw/zinc/06/10/92/819061092.db2.gz CCDQUYUEFBJBKX-ZDUSSCGKSA-N 1 2 279.344 0.120 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](O)C1 ZINC001083862840 819282682 /nfs/dbraw/zinc/28/26/82/819282682.db2.gz XQJSYPAFCOXMBU-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](O)C1 ZINC001083862840 819282688 /nfs/dbraw/zinc/28/26/88/819282688.db2.gz XQJSYPAFCOXMBU-KGLIPLIRSA-N 1 2 298.346 0.279 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)o1 ZINC001034935801 819364896 /nfs/dbraw/zinc/36/48/96/819364896.db2.gz YUHREBRVJNSODK-CYBMUJFWSA-N 1 2 288.351 0.872 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129103731 819410909 /nfs/dbraw/zinc/41/09/09/819410909.db2.gz QOKNQQIUAYXKOS-MNOVXSKESA-N 1 2 297.309 0.298 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129103731 819410913 /nfs/dbraw/zinc/41/09/13/819410913.db2.gz QOKNQQIUAYXKOS-MNOVXSKESA-N 1 2 297.309 0.298 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001035280307 819446068 /nfs/dbraw/zinc/44/60/68/819446068.db2.gz AUNYULGBRDVFMS-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001035280307 819446071 /nfs/dbraw/zinc/44/60/71/819446071.db2.gz AUNYULGBRDVFMS-GFCCVEGCSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2=COCCC2)C1 ZINC001035299556 819451264 /nfs/dbraw/zinc/45/12/64/819451264.db2.gz DHQCEINPEVBVBS-CYBMUJFWSA-N 1 2 266.341 0.684 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2=COCCC2)C1 ZINC001035299556 819451274 /nfs/dbraw/zinc/45/12/74/819451274.db2.gz DHQCEINPEVBVBS-CYBMUJFWSA-N 1 2 266.341 0.684 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035304145 819455785 /nfs/dbraw/zinc/45/57/85/819455785.db2.gz VAGGLOZFPWFOMU-JTQLQIEISA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035304145 819455778 /nfs/dbraw/zinc/45/57/78/819455778.db2.gz VAGGLOZFPWFOMU-JTQLQIEISA-N 1 2 250.302 0.026 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cocn2)C1 ZINC001035310178 819460512 /nfs/dbraw/zinc/46/05/12/819460512.db2.gz OVBSVKAIWJEPDI-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cocn2)C1 ZINC001035310178 819460516 /nfs/dbraw/zinc/46/05/16/819460516.db2.gz OVBSVKAIWJEPDI-LLVKDONJSA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001035310179 819461140 /nfs/dbraw/zinc/46/11/40/819461140.db2.gz OVBSVKAIWJEPDI-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001035310179 819461145 /nfs/dbraw/zinc/46/11/45/819461145.db2.gz OVBSVKAIWJEPDI-NSHDSACASA-N 1 2 265.313 0.681 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035335542 819477190 /nfs/dbraw/zinc/47/71/90/819477190.db2.gz AVQYIVIFIHOAIL-ZDUSSCGKSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035335542 819477193 /nfs/dbraw/zinc/47/71/93/819477193.db2.gz AVQYIVIFIHOAIL-ZDUSSCGKSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035365829 819489317 /nfs/dbraw/zinc/48/93/17/819489317.db2.gz YAECCWKZZQLXQA-SNVBAGLBSA-N 1 2 250.302 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001035365829 819489319 /nfs/dbraw/zinc/48/93/19/819489319.db2.gz YAECCWKZZQLXQA-SNVBAGLBSA-N 1 2 250.302 0.026 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035354829 819497132 /nfs/dbraw/zinc/49/71/32/819497132.db2.gz XHUOLAVYDJNTSF-AWEZNQCLSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001035354829 819497135 /nfs/dbraw/zinc/49/71/35/819497135.db2.gz XHUOLAVYDJNTSF-AWEZNQCLSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035494838 819549711 /nfs/dbraw/zinc/54/97/11/819549711.db2.gz FEOUXXYOBVGFFS-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001035494838 819549715 /nfs/dbraw/zinc/54/97/15/819549715.db2.gz FEOUXXYOBVGFFS-SNVBAGLBSA-N 1 2 282.319 0.556 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533722 819559679 /nfs/dbraw/zinc/55/96/79/819559679.db2.gz PVXRSLQYOXNGJC-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533722 819559682 /nfs/dbraw/zinc/55/96/82/819559682.db2.gz PVXRSLQYOXNGJC-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001035562670 819570760 /nfs/dbraw/zinc/57/07/60/819570760.db2.gz LMKTVFIJKIBFCF-CYBMUJFWSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001035562670 819570765 /nfs/dbraw/zinc/57/07/65/819570765.db2.gz LMKTVFIJKIBFCF-CYBMUJFWSA-N 1 2 292.383 0.599 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001035617151 819591022 /nfs/dbraw/zinc/59/10/22/819591022.db2.gz QMPKJMNKBIHDRX-UONOGXRCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001035617151 819591025 /nfs/dbraw/zinc/59/10/25/819591025.db2.gz QMPKJMNKBIHDRX-UONOGXRCSA-N 1 2 295.383 0.000 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035718258 819612882 /nfs/dbraw/zinc/61/28/82/819612882.db2.gz HQWVTOZKNLHTHS-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035718258 819612887 /nfs/dbraw/zinc/61/28/87/819612887.db2.gz HQWVTOZKNLHTHS-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001036127473 819695058 /nfs/dbraw/zinc/69/50/58/819695058.db2.gz UNLOJUCQOQNWLR-STQMWFEESA-N 1 2 275.356 0.623 20 30 CCEDLO Cc1nc(-n2[nH]c(=O)nc2C[NH3+])c(C#N)c(C)c1C ZINC001168760595 819731488 /nfs/dbraw/zinc/73/14/88/819731488.db2.gz PFLOGMILZXCFSE-UHFFFAOYSA-N 1 2 258.285 0.624 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001079642586 820447279 /nfs/dbraw/zinc/44/72/79/820447279.db2.gz FWBCVXCDINWSIQ-SZEHBUNVSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001079642586 820447284 /nfs/dbraw/zinc/44/72/84/820447284.db2.gz FWBCVXCDINWSIQ-SZEHBUNVSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705393 820477558 /nfs/dbraw/zinc/47/75/58/820477558.db2.gz ZIWLSRDNHBRECY-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCOC)[C@H](O)C1 ZINC001099705393 820477563 /nfs/dbraw/zinc/47/75/63/820477563.db2.gz ZIWLSRDNHBRECY-VXGBXAGGSA-N 1 2 290.791 0.717 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001081309018 820736471 /nfs/dbraw/zinc/73/64/71/820736471.db2.gz QOLJDPWBYZFUMU-GHMZBOCLSA-N 1 2 264.350 0.810 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001081309018 820736477 /nfs/dbraw/zinc/73/64/77/820736477.db2.gz QOLJDPWBYZFUMU-GHMZBOCLSA-N 1 2 264.350 0.810 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081356028 820744793 /nfs/dbraw/zinc/74/47/93/820744793.db2.gz VBQCMVYUBHKXFK-DGCLKSJQSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 ZINC001081356028 820744798 /nfs/dbraw/zinc/74/47/98/820744798.db2.gz VBQCMVYUBHKXFK-DGCLKSJQSA-N 1 2 277.324 0.435 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001081395670 820754055 /nfs/dbraw/zinc/75/40/55/820754055.db2.gz BLKNMXPVDXVQIH-VXGBXAGGSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001081395670 820754060 /nfs/dbraw/zinc/75/40/60/820754060.db2.gz BLKNMXPVDXVQIH-VXGBXAGGSA-N 1 2 293.392 0.904 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 ZINC001081407683 820758139 /nfs/dbraw/zinc/75/81/39/820758139.db2.gz KGJSKZOIDRKJBD-VXGBXAGGSA-N 1 2 263.297 0.127 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 ZINC001081407683 820758143 /nfs/dbraw/zinc/75/81/43/820758143.db2.gz KGJSKZOIDRKJBD-VXGBXAGGSA-N 1 2 263.297 0.127 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099725823 820782957 /nfs/dbraw/zinc/78/29/57/820782957.db2.gz ZJESGFIKAVRLRS-RYUDHWBXSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)[C@@H](O)C1 ZINC001099725823 820782962 /nfs/dbraw/zinc/78/29/62/820782962.db2.gz ZJESGFIKAVRLRS-RYUDHWBXSA-N 1 2 290.791 0.715 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](OC)C1 ZINC001081929441 820866243 /nfs/dbraw/zinc/86/62/43/820866243.db2.gz OALXCAHWGDAUBA-TZMCWYRMSA-N 1 2 291.351 0.000 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](OC)C1 ZINC001081929441 820866254 /nfs/dbraw/zinc/86/62/54/820866254.db2.gz OALXCAHWGDAUBA-TZMCWYRMSA-N 1 2 291.351 0.000 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@H](OC)C1 ZINC001082302078 820934016 /nfs/dbraw/zinc/93/40/16/820934016.db2.gz YYDWLXWUXCYAEP-VXGBXAGGSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@H](OC)C1 ZINC001082302078 820934023 /nfs/dbraw/zinc/93/40/23/820934023.db2.gz YYDWLXWUXCYAEP-VXGBXAGGSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H](OC)C1 ZINC001082365563 820945766 /nfs/dbraw/zinc/94/57/66/820945766.db2.gz HYOMNPOQABAMFY-ZIAGYGMSSA-N 1 2 299.334 0.020 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H](OC)C1 ZINC001082365563 820945772 /nfs/dbraw/zinc/94/57/72/820945772.db2.gz HYOMNPOQABAMFY-ZIAGYGMSSA-N 1 2 299.334 0.020 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099741268 820946983 /nfs/dbraw/zinc/94/69/83/820946983.db2.gz QIBKLWGBCWDXOZ-RYUDHWBXSA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099741268 820946989 /nfs/dbraw/zinc/94/69/89/820946989.db2.gz QIBKLWGBCWDXOZ-RYUDHWBXSA-N 1 2 288.775 0.493 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3CC)[C@H]2C1 ZINC001083070941 821118153 /nfs/dbraw/zinc/11/81/53/821118153.db2.gz YLZLESAIVXSXHP-LSDHHAIUSA-N 1 2 287.363 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]c3CC)[C@H]2C1 ZINC001083070941 821118162 /nfs/dbraw/zinc/11/81/62/821118162.db2.gz YLZLESAIVXSXHP-LSDHHAIUSA-N 1 2 287.363 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)cc(C)n3)[C@H]2C1 ZINC001083127503 821142385 /nfs/dbraw/zinc/14/23/85/821142385.db2.gz QNGDOZQWBIYEPO-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)cc(C)n3)[C@H]2C1 ZINC001083127503 821142389 /nfs/dbraw/zinc/14/23/89/821142389.db2.gz QNGDOZQWBIYEPO-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(F)(F)F)[C@H]2C1 ZINC001083163884 821151469 /nfs/dbraw/zinc/15/14/69/821151469.db2.gz BJWTXANECJRRIF-OUAUKWLOSA-N 1 2 290.285 0.730 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(F)(F)F)[C@H]2C1 ZINC001083163884 821151474 /nfs/dbraw/zinc/15/14/74/821151474.db2.gz BJWTXANECJRRIF-OUAUKWLOSA-N 1 2 290.285 0.730 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001083957015 821170758 /nfs/dbraw/zinc/17/07/58/821170758.db2.gz JJDGAWPMTRBDAD-OLZOCXBDSA-N 1 2 276.336 0.559 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001083957015 821170764 /nfs/dbraw/zinc/17/07/64/821170764.db2.gz JJDGAWPMTRBDAD-OLZOCXBDSA-N 1 2 276.336 0.559 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](O)C1 ZINC001084039818 821179974 /nfs/dbraw/zinc/17/99/74/821179974.db2.gz NCSKCCRBVWCYLG-KGLIPLIRSA-N 1 2 275.352 0.050 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](O)C1 ZINC001084039818 821179980 /nfs/dbraw/zinc/17/99/80/821179980.db2.gz NCSKCCRBVWCYLG-KGLIPLIRSA-N 1 2 275.352 0.050 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](O)C1 ZINC001084011364 821183300 /nfs/dbraw/zinc/18/33/00/821183300.db2.gz BZPPEYWYJRCIKU-CABCVRRESA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](O)C1 ZINC001084011364 821183306 /nfs/dbraw/zinc/18/33/06/821183306.db2.gz BZPPEYWYJRCIKU-CABCVRRESA-N 1 2 285.347 0.367 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001084081294 821185439 /nfs/dbraw/zinc/18/54/39/821185439.db2.gz RZNXFZCGVAILMP-CVEARBPZSA-N 1 2 284.359 0.972 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001084081294 821185444 /nfs/dbraw/zinc/18/54/44/821185444.db2.gz RZNXFZCGVAILMP-CVEARBPZSA-N 1 2 284.359 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC(c3ccccc3)C2)[C@@H](O)C1 ZINC001084110924 821201623 /nfs/dbraw/zinc/20/16/23/821201623.db2.gz KLGJEVINDZTPDD-BACDZXNISA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC(c3ccccc3)C2)[C@@H](O)C1 ZINC001084110924 821201635 /nfs/dbraw/zinc/20/16/35/821201635.db2.gz KLGJEVINDZTPDD-BACDZXNISA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001084353428 821277162 /nfs/dbraw/zinc/27/71/62/821277162.db2.gz KLUJAYPDHNDCSX-GHMZBOCLSA-N 1 2 291.376 0.931 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001084353428 821277171 /nfs/dbraw/zinc/27/71/71/821277171.db2.gz KLUJAYPDHNDCSX-GHMZBOCLSA-N 1 2 291.376 0.931 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nn1 ZINC001098306674 821665162 /nfs/dbraw/zinc/66/51/62/821665162.db2.gz KSCBYUHJIJGZHF-VIFPVBQESA-N 1 2 285.311 0.231 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085500376 821747131 /nfs/dbraw/zinc/74/71/31/821747131.db2.gz AEORICOSYOEDLV-CYBMUJFWSA-N 1 2 274.368 0.898 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)n1 ZINC001085500376 821747135 /nfs/dbraw/zinc/74/71/35/821747135.db2.gz AEORICOSYOEDLV-CYBMUJFWSA-N 1 2 274.368 0.898 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085591675 821834429 /nfs/dbraw/zinc/83/44/29/821834429.db2.gz PTTPHYUEOXDMMA-ZDUSSCGKSA-N 1 2 274.368 0.898 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085591675 821834438 /nfs/dbraw/zinc/83/44/38/821834438.db2.gz PTTPHYUEOXDMMA-ZDUSSCGKSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001085626590 821864070 /nfs/dbraw/zinc/86/40/70/821864070.db2.gz PNNGJIJUMOHKIQ-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001085626590 821864081 /nfs/dbraw/zinc/86/40/81/821864081.db2.gz PNNGJIJUMOHKIQ-ZDUSSCGKSA-N 1 2 286.379 0.999 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712189 821914501 /nfs/dbraw/zinc/91/45/01/821914501.db2.gz DDPZROGMCIBXRS-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712189 821914509 /nfs/dbraw/zinc/91/45/09/821914509.db2.gz DDPZROGMCIBXRS-JTQLQIEISA-N 1 2 280.759 0.853 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085716478 821918079 /nfs/dbraw/zinc/91/80/79/821918079.db2.gz MVTRSIFCQMFRKV-LBPRGKRZSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)ccc1=O ZINC001085716478 821918080 /nfs/dbraw/zinc/91/80/80/821918080.db2.gz MVTRSIFCQMFRKV-LBPRGKRZSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001085724879 821919997 /nfs/dbraw/zinc/91/99/97/821919997.db2.gz IEGJFLFDAYXMTM-LLVKDONJSA-N 1 2 291.351 0.716 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001085724879 821920001 /nfs/dbraw/zinc/92/00/01/821920001.db2.gz IEGJFLFDAYXMTM-LLVKDONJSA-N 1 2 291.351 0.716 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC001085837894 821973877 /nfs/dbraw/zinc/97/38/77/821973877.db2.gz UWKWOUYYBJYRNL-CYBMUJFWSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC001085837894 821973881 /nfs/dbraw/zinc/97/38/81/821973881.db2.gz UWKWOUYYBJYRNL-CYBMUJFWSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858167 821983587 /nfs/dbraw/zinc/98/35/87/821983587.db2.gz RHLSMKWDQSNITM-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)on1 ZINC001085858167 821983593 /nfs/dbraw/zinc/98/35/93/821983593.db2.gz RHLSMKWDQSNITM-NSHDSACASA-N 1 2 277.324 0.601 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cccnn21 ZINC001085860899 821985487 /nfs/dbraw/zinc/98/54/87/821985487.db2.gz KUHQBQADAGRJJK-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cccnn21 ZINC001085860899 821985493 /nfs/dbraw/zinc/98/54/93/821985493.db2.gz KUHQBQADAGRJJK-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001108267840 822217508 /nfs/dbraw/zinc/21/75/08/822217508.db2.gz KPCRGZFHYHHMEQ-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001108267840 822217518 /nfs/dbraw/zinc/21/75/18/822217518.db2.gz KPCRGZFHYHHMEQ-HNNXBMFYSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)Cc2ccc(O)cc2)CC1 ZINC001183899955 844108284 /nfs/dbraw/zinc/10/82/84/844108284.db2.gz VFHCBEATXZNQJY-OAHLLOKOSA-N 1 2 290.363 0.626 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108413640 836049310 /nfs/dbraw/zinc/04/93/10/836049310.db2.gz DZGDFKSSWLOFAB-INIZCTEOSA-N 1 2 289.379 0.788 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108413640 836049324 /nfs/dbraw/zinc/04/93/24/836049324.db2.gz DZGDFKSSWLOFAB-INIZCTEOSA-N 1 2 289.379 0.788 20 30 CCEDLO N#CCC[C@H](C#N)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001168934431 836061942 /nfs/dbraw/zinc/06/19/42/836061942.db2.gz XFKWWWMXNKXYEO-SNVBAGLBSA-N 1 2 275.312 0.104 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001108433041 836091230 /nfs/dbraw/zinc/09/12/30/836091230.db2.gz WPDCRNWFXYSPDH-DZGCQCFKSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108433041 836091241 /nfs/dbraw/zinc/09/12/41/836091241.db2.gz WPDCRNWFXYSPDH-DZGCQCFKSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108432909 836105941 /nfs/dbraw/zinc/10/59/41/836105941.db2.gz SMIRGQBMULDQPE-GDBMZVCRSA-N 1 2 294.395 0.808 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108432909 836105944 /nfs/dbraw/zinc/10/59/44/836105944.db2.gz SMIRGQBMULDQPE-GDBMZVCRSA-N 1 2 294.395 0.808 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncccc2CC#N)C[NH2+]1 ZINC001169130103 836145869 /nfs/dbraw/zinc/14/58/69/836145869.db2.gz SGDJWMYSMXEBSB-MNOVXSKESA-N 1 2 260.297 0.463 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC(C)C)CC2=O)C1 ZINC001108500227 836324906 /nfs/dbraw/zinc/32/49/06/836324906.db2.gz NIBPYBHMOMFMGX-LBPRGKRZSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)CC)CC2=O)C1 ZINC001108505935 836347482 /nfs/dbraw/zinc/34/74/82/836347482.db2.gz HRPJUMOTGWJMLG-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C\CC)CC2=O)C1 ZINC001108514551 836386448 /nfs/dbraw/zinc/38/64/48/836386448.db2.gz FYZYJDONLMMKPK-MVXISAMASA-N 1 2 291.395 0.930 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(OCC#N)cn1 ZINC001169651876 836407654 /nfs/dbraw/zinc/40/76/54/836407654.db2.gz ASCDGHREKUTQST-NSHDSACASA-N 1 2 262.313 0.726 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(OCC#N)cn1 ZINC001169651876 836407659 /nfs/dbraw/zinc/40/76/59/836407659.db2.gz ASCDGHREKUTQST-NSHDSACASA-N 1 2 262.313 0.726 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)/C(C)=C/C)CC2=O)C1 ZINC001108529961 836426861 /nfs/dbraw/zinc/42/68/61/836426861.db2.gz QCNJZVBMCGSGQL-JVOXIWMLSA-N 1 2 277.368 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)C(C)C)CC2=O)C1 ZINC001108574827 836468393 /nfs/dbraw/zinc/46/83/93/836468393.db2.gz CADAMJOLDYFREX-OLZOCXBDSA-N 1 2 293.411 0.866 20 30 CCEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001108718554 836515085 /nfs/dbraw/zinc/51/50/85/836515085.db2.gz IFAJWNVQYIKUTC-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843608 836546445 /nfs/dbraw/zinc/54/64/45/836546445.db2.gz WOYFHOXVQYBXDY-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843608 836546451 /nfs/dbraw/zinc/54/64/51/836546451.db2.gz WOYFHOXVQYBXDY-RDBSUJKOSA-N 1 2 289.379 0.257 20 30 CCEDLO C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001109014276 836598916 /nfs/dbraw/zinc/59/89/16/836598916.db2.gz HJXBJEQKWLFAFN-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109632820 836709051 /nfs/dbraw/zinc/70/90/51/836709051.db2.gz DVRBEYPBCJBTSY-NDBYEHHHSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109632820 836709059 /nfs/dbraw/zinc/70/90/59/836709059.db2.gz DVRBEYPBCJBTSY-NDBYEHHHSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659147 836710458 /nfs/dbraw/zinc/71/04/58/836710458.db2.gz VLQMAWYGUBJVKY-VWYCJHECSA-N 1 2 297.786 0.726 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659147 836710461 /nfs/dbraw/zinc/71/04/61/836710461.db2.gz VLQMAWYGUBJVKY-VWYCJHECSA-N 1 2 297.786 0.726 20 30 CCEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001109681773 836714148 /nfs/dbraw/zinc/71/41/48/836714148.db2.gz HPOQFFAFUTXEEQ-AGIUHOORSA-N 1 2 291.395 0.940 20 30 CCEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001109681773 836714155 /nfs/dbraw/zinc/71/41/55/836714155.db2.gz HPOQFFAFUTXEEQ-AGIUHOORSA-N 1 2 291.395 0.940 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)c2ccoc2C)CC1 ZINC001112875740 836948675 /nfs/dbraw/zinc/94/86/75/836948675.db2.gz DRPIAQUPFSEUNC-UHFFFAOYSA-N 1 2 291.351 0.648 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1nccnc1C#N ZINC001113155367 837040814 /nfs/dbraw/zinc/04/08/14/837040814.db2.gz OGXKXAVGXFJZCL-NXEZZACHSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1 ZINC001113161767 837043049 /nfs/dbraw/zinc/04/30/49/837043049.db2.gz JJPYKVAHEDIILP-ZIAGYGMSSA-N 1 2 282.384 0.758 20 30 CCEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)nn1 ZINC001113313512 837084224 /nfs/dbraw/zinc/08/42/24/837084224.db2.gz IYJBHVVBKIOFSG-VHSXEESVSA-N 1 2 299.338 0.619 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(NC(N)=O)CCCCC2)CC1 ZINC001113404053 837107655 /nfs/dbraw/zinc/10/76/55/837107655.db2.gz ZRQMIMZWKIZKJI-UHFFFAOYSA-N 1 2 294.399 0.688 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1 ZINC001113408986 837110349 /nfs/dbraw/zinc/11/03/49/837110349.db2.gz OICQSKMOTUZBKX-CQSZACIVSA-N 1 2 279.384 0.788 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCCC(N)=O)CC1 ZINC001113518274 837144545 /nfs/dbraw/zinc/14/45/45/837144545.db2.gz HYDMARQAQNUQNQ-UHFFFAOYSA-N 1 2 265.357 0.200 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCc2nc(CC)no2)CC1 ZINC001113519939 837145537 /nfs/dbraw/zinc/14/55/37/837145537.db2.gz FDVSMXQIGPEFMK-UHFFFAOYSA-N 1 2 294.355 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC001113616012 837177400 /nfs/dbraw/zinc/17/74/00/837177400.db2.gz KHJLTTFEZGGNFU-UHFFFAOYSA-N 1 2 291.351 0.730 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccncc1C#N ZINC001113696292 837197414 /nfs/dbraw/zinc/19/74/14/837197414.db2.gz VXPYLGILNKILEB-LLVKDONJSA-N 1 2 298.350 0.860 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)nn1 ZINC001113696380 837197647 /nfs/dbraw/zinc/19/76/47/837197647.db2.gz XYJBJDQIHJPZIL-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131729080 838192455 /nfs/dbraw/zinc/19/24/55/838192455.db2.gz BSUUANRSFGUQOG-WDEREUQCSA-N 1 2 266.345 0.005 20 30 CCEDLO CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131729080 838192458 /nfs/dbraw/zinc/19/24/58/838192458.db2.gz BSUUANRSFGUQOG-WDEREUQCSA-N 1 2 266.345 0.005 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nncs1 ZINC001131870793 838250012 /nfs/dbraw/zinc/25/00/12/838250012.db2.gz ZXGJFUDXCQNLPM-CYBMUJFWSA-N 1 2 298.412 0.973 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001131870338 838251257 /nfs/dbraw/zinc/25/12/57/838251257.db2.gz QMBAIHQAPPZFFV-ZDUSSCGKSA-N 1 2 282.344 0.504 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CN1CC#N ZINC001132196045 838337198 /nfs/dbraw/zinc/33/71/98/838337198.db2.gz XYOZHMNZTDYQSV-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO CC#CCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001132592975 838445598 /nfs/dbraw/zinc/44/55/98/838445598.db2.gz KSVXXOTVEJLQLG-UHFFFAOYSA-N 1 2 250.302 0.469 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(C#N)nc1 ZINC001132729722 838479991 /nfs/dbraw/zinc/47/99/91/838479991.db2.gz UEDORIBFNNGMAS-UHFFFAOYSA-N 1 2 255.281 0.546 20 30 CCEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234483 838913757 /nfs/dbraw/zinc/91/37/57/838913757.db2.gz HMRCAXNLNSEYDX-WDEREUQCSA-N 1 2 263.345 0.739 20 30 CCEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#N)cn1 ZINC000107573415 839096046 /nfs/dbraw/zinc/09/60/46/839096046.db2.gz AJZYDEDVJCLFRN-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090538809 839627774 /nfs/dbraw/zinc/62/77/74/839627774.db2.gz ULPJYBUAZDMVMG-NEPJUHHUSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 ZINC001090538809 839627778 /nfs/dbraw/zinc/62/77/78/839627778.db2.gz ULPJYBUAZDMVMG-NEPJUHHUSA-N 1 2 299.758 0.901 20 30 CCEDLO CCc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc(C)[nH+]1 ZINC001160175954 839699577 /nfs/dbraw/zinc/69/95/77/839699577.db2.gz AEMPHNOWDKQHLS-CPCISQLKSA-N 1 2 250.302 0.995 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090688502 839737391 /nfs/dbraw/zinc/73/73/91/839737391.db2.gz DHKUFUQDRVXSHE-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 ZINC001090688502 839737397 /nfs/dbraw/zinc/73/73/97/839737397.db2.gz DHKUFUQDRVXSHE-WDEREUQCSA-N 1 2 299.758 0.901 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144085216 839935565 /nfs/dbraw/zinc/93/55/65/839935565.db2.gz XUIAYHVLESROLY-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144085216 839935574 /nfs/dbraw/zinc/93/55/74/839935574.db2.gz XUIAYHVLESROLY-CQSZACIVSA-N 1 2 288.351 0.680 20 30 CCEDLO C=C(C(=O)NC[C@H]1C[N@H+](C)CCO1)C(F)(F)F ZINC001144208962 839976727 /nfs/dbraw/zinc/97/67/27/839976727.db2.gz YBXUZYWQIWNTDU-QMMMGPOBSA-N 1 2 252.236 0.552 20 30 CCEDLO C=C(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C(F)(F)F ZINC001144208962 839976735 /nfs/dbraw/zinc/97/67/35/839976735.db2.gz YBXUZYWQIWNTDU-QMMMGPOBSA-N 1 2 252.236 0.552 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCOCC1 ZINC000044766595 840776379 /nfs/dbraw/zinc/77/63/79/840776379.db2.gz LBUPTDXSPPVXAD-NSHDSACASA-N 1 2 262.313 0.708 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCOC)C1 ZINC001148968510 840917348 /nfs/dbraw/zinc/91/73/48/840917348.db2.gz DFZDQANTQKTCFI-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCOC)C1 ZINC001148968510 840917353 /nfs/dbraw/zinc/91/73/53/840917353.db2.gz DFZDQANTQKTCFI-GFCCVEGCSA-N 1 2 290.791 0.983 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@]2(C)C1 ZINC001092185677 840999171 /nfs/dbraw/zinc/99/91/71/840999171.db2.gz MREVLWJZTAKUDC-DOMZBBRYSA-N 1 2 287.367 0.151 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@]2(C)C1 ZINC001092185677 840999178 /nfs/dbraw/zinc/99/91/78/840999178.db2.gz MREVLWJZTAKUDC-DOMZBBRYSA-N 1 2 287.367 0.151 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC)c1nccn12 ZINC001092337623 841009561 /nfs/dbraw/zinc/00/95/61/841009561.db2.gz CAAHALVRRLPSGR-GFCCVEGCSA-N 1 2 272.352 0.888 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001093513859 841300306 /nfs/dbraw/zinc/30/03/06/841300306.db2.gz VEBOGTYDJYKWHX-ZDUSSCGKSA-N 1 2 294.395 0.901 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036866074 841424892 /nfs/dbraw/zinc/42/48/92/841424892.db2.gz YLLUEWAIMZNXJI-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3ncn[nH]3)CC[C@@H]21 ZINC001036866074 841424896 /nfs/dbraw/zinc/42/48/96/841424896.db2.gz YLLUEWAIMZNXJI-STQMWFEESA-N 1 2 287.367 0.293 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001094150682 841550299 /nfs/dbraw/zinc/55/02/99/841550299.db2.gz VHIYQUTUYJKSSX-UHFFFAOYSA-N 1 2 270.296 0.447 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150159917 842017678 /nfs/dbraw/zinc/01/76/78/842017678.db2.gz SIHYHYMWHVFOEV-CHWSQXEVSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150159917 842017692 /nfs/dbraw/zinc/01/76/92/842017692.db2.gz SIHYHYMWHVFOEV-CHWSQXEVSA-N 1 2 297.399 0.281 20 30 CCEDLO C#Cc1cc(Nc2cccc(S(N)(=O)=O)c2)cc[nH+]1 ZINC001174239631 842173796 /nfs/dbraw/zinc/17/37/96/842173796.db2.gz UQTDTSGPJLKFON-UHFFFAOYSA-N 1 2 273.317 0.876 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 ZINC001176894656 842456169 /nfs/dbraw/zinc/45/61/69/842456169.db2.gz ROQQQXUQAJNZJH-UONOGXRCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 ZINC001176894656 842456175 /nfs/dbraw/zinc/45/61/75/842456175.db2.gz ROQQQXUQAJNZJH-UONOGXRCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177025495 842488040 /nfs/dbraw/zinc/48/80/40/842488040.db2.gz RGVIWDDQUURQRK-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177025495 842488047 /nfs/dbraw/zinc/48/80/47/842488047.db2.gz RGVIWDDQUURQRK-UONOGXRCSA-N 1 2 282.384 0.637 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417874 842586857 /nfs/dbraw/zinc/58/68/57/842586857.db2.gz UYXZBMDSYYPFNC-JTQLQIEISA-N 1 2 276.296 0.089 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C#N)Cc2cccs2)C1 ZINC001177917963 842709927 /nfs/dbraw/zinc/70/99/27/842709927.db2.gz YJRYRXFRQSIHLZ-RYUDHWBXSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C#N)Cc2cccs2)C1 ZINC001177917963 842709934 /nfs/dbraw/zinc/70/99/34/842709934.db2.gz YJRYRXFRQSIHLZ-RYUDHWBXSA-N 1 2 293.392 0.877 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C#Cc2ccc(F)cc2F)C1 ZINC001178573193 842882215 /nfs/dbraw/zinc/88/22/15/842882215.db2.gz JTROQZSDBHJARG-ZDUSSCGKSA-N 1 2 294.301 0.763 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)C#Cc2ccc(F)cc2F)C1 ZINC001178573193 842882226 /nfs/dbraw/zinc/88/22/26/842882226.db2.gz JTROQZSDBHJARG-ZDUSSCGKSA-N 1 2 294.301 0.763 20 30 CCEDLO C[C@@H](C#N)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001179900357 843072638 /nfs/dbraw/zinc/07/26/38/843072638.db2.gz IBWDBPIKYVXCCG-BQBZGAKWSA-N 1 2 250.327 0.645 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2CC3(C2)OCCO3)CC1 ZINC001181508386 843502840 /nfs/dbraw/zinc/50/28/40/843502840.db2.gz XNHMTVTYCKCVJB-UHFFFAOYSA-N 1 2 266.341 0.470 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001188310318 844864969 /nfs/dbraw/zinc/86/49/69/844864969.db2.gz SJTWBFSTXJUNIL-CMPLNLGQSA-N 1 2 294.355 0.660 20 30 CCEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110433747 845576602 /nfs/dbraw/zinc/57/66/02/845576602.db2.gz AATMDLIPCVDJIT-UPJWGTAASA-N 1 2 287.367 0.482 20 30 CCEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110433747 845576612 /nfs/dbraw/zinc/57/66/12/845576612.db2.gz AATMDLIPCVDJIT-UPJWGTAASA-N 1 2 287.367 0.482 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001191724319 845717971 /nfs/dbraw/zinc/71/79/71/845717971.db2.gz AXHIVGOBHNSNOE-IACUBPJLSA-N 1 2 290.367 0.665 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001191724319 845717976 /nfs/dbraw/zinc/71/79/76/845717976.db2.gz AXHIVGOBHNSNOE-IACUBPJLSA-N 1 2 290.367 0.665 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001191881158 845752680 /nfs/dbraw/zinc/75/26/80/845752680.db2.gz GYNUGDMXDCKXGF-YJCWOPNRSA-N 1 2 257.721 0.060 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001191881158 845752683 /nfs/dbraw/zinc/75/26/83/845752683.db2.gz GYNUGDMXDCKXGF-YJCWOPNRSA-N 1 2 257.721 0.060 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CC3(COC3)C2)o1 ZINC001192692199 845894038 /nfs/dbraw/zinc/89/40/38/845894038.db2.gz VUPASIQELAYEGQ-UHFFFAOYSA-N 1 2 261.281 0.213 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761054 845902934 /nfs/dbraw/zinc/90/29/34/845902934.db2.gz DKKNSWVHJWLQDF-JHJVBQTASA-N 1 2 270.348 0.555 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761054 845902938 /nfs/dbraw/zinc/90/29/38/845902938.db2.gz DKKNSWVHJWLQDF-JHJVBQTASA-N 1 2 270.348 0.555 20 30 CCEDLO N#CCS(=O)(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193009346 845965263 /nfs/dbraw/zinc/96/52/63/845965263.db2.gz UVHCIUFWHWZQBC-UHFFFAOYSA-N 1 2 250.283 0.277 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(CC=C)CC=C)C1 ZINC001193231999 846029118 /nfs/dbraw/zinc/02/91/18/846029118.db2.gz PFXDKWDHGCWBCP-ZIAGYGMSSA-N 1 2 262.353 0.549 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(CC=C)CC=C)C1 ZINC001193231999 846029124 /nfs/dbraw/zinc/02/91/24/846029124.db2.gz PFXDKWDHGCWBCP-ZIAGYGMSSA-N 1 2 262.353 0.549 20 30 CCEDLO CC(C)(C)C#CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001273656051 846037588 /nfs/dbraw/zinc/03/75/88/846037588.db2.gz UCAZYMWZRWRPGS-CYBMUJFWSA-N 1 2 294.395 0.378 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CSC)CC1 ZINC001194738750 846365589 /nfs/dbraw/zinc/36/55/89/846365589.db2.gz CHMYPSBHJWLOBN-LBPRGKRZSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CSC)CC1 ZINC001194738750 846365578 /nfs/dbraw/zinc/36/55/78/846365578.db2.gz CHMYPSBHJWLOBN-LBPRGKRZSA-N 1 2 299.440 0.574 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001273712757 846680330 /nfs/dbraw/zinc/68/03/30/846680330.db2.gz ICBWIWIGHXOGSP-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001196199477 846704261 /nfs/dbraw/zinc/70/42/61/846704261.db2.gz IVDGKOOJTNJWHC-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001196199477 846704270 /nfs/dbraw/zinc/70/42/70/846704270.db2.gz IVDGKOOJTNJWHC-NXEZZACHSA-N 1 2 272.295 0.216 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001196763213 846796904 /nfs/dbraw/zinc/79/69/04/846796904.db2.gz WHFPBILLQZOVMT-HZSPNIEDSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001196763213 846796911 /nfs/dbraw/zinc/79/69/11/846796911.db2.gz WHFPBILLQZOVMT-HZSPNIEDSA-N 1 2 291.395 0.315 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001198684806 847152982 /nfs/dbraw/zinc/15/29/82/847152982.db2.gz FATOPJHALMRWOG-GFCCVEGCSA-N 1 2 268.263 0.337 20 30 CCEDLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001273938670 847879562 /nfs/dbraw/zinc/87/95/62/847879562.db2.gz JKSUEVSBISVRQH-IHWYPQMZSA-N 1 2 299.338 0.091 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110580014 847889068 /nfs/dbraw/zinc/88/90/68/847889068.db2.gz SWBUCXWSGDQARW-UPJWGTAASA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110580014 847889074 /nfs/dbraw/zinc/88/90/74/847889074.db2.gz SWBUCXWSGDQARW-UPJWGTAASA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001252597879 848029490 /nfs/dbraw/zinc/02/94/90/848029490.db2.gz FYQDHHULCJTNLW-RYUDHWBXSA-N 1 2 284.356 0.067 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001252597879 848029496 /nfs/dbraw/zinc/02/94/96/848029496.db2.gz FYQDHHULCJTNLW-RYUDHWBXSA-N 1 2 284.356 0.067 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001273982561 848195220 /nfs/dbraw/zinc/19/52/20/848195220.db2.gz FDOXJSTYDCLHGK-CHWSQXEVSA-N 1 2 274.324 0.577 20 30 CCEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001273982561 848195224 /nfs/dbraw/zinc/19/52/24/848195224.db2.gz FDOXJSTYDCLHGK-CHWSQXEVSA-N 1 2 274.324 0.577 20 30 CCEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NC2COC2)CC1 ZINC001274032636 848313792 /nfs/dbraw/zinc/31/37/92/848313792.db2.gz UFNXXZKADKGIFS-GFCCVEGCSA-N 1 2 263.341 0.517 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001274569985 848508327 /nfs/dbraw/zinc/50/83/27/848508327.db2.gz SBIFSENRCVRBDJ-QGZVFWFLSA-N 1 2 298.390 0.956 20 30 CCEDLO C#CCN1CC[C@@]2(CC[N@@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001274569985 848508332 /nfs/dbraw/zinc/50/83/32/848508332.db2.gz SBIFSENRCVRBDJ-QGZVFWFLSA-N 1 2 298.390 0.956 20 30 CCEDLO C=CCN1C[C@@]2(F)CN(Cc3c[nH+]c(C)[nH]3)C[C@@]2(F)C1=O ZINC001274575098 848510273 /nfs/dbraw/zinc/51/02/73/848510273.db2.gz BSBQBVZBYKOWHR-UONOGXRCSA-N 1 2 296.321 0.979 20 30 CCEDLO C=CCN1C[C@@]2(F)CN(Cc3c[nH]c(C)[nH+]3)C[C@@]2(F)C1=O ZINC001274575098 848510275 /nfs/dbraw/zinc/51/02/75/848510275.db2.gz BSBQBVZBYKOWHR-UONOGXRCSA-N 1 2 296.321 0.979 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001275553160 848760763 /nfs/dbraw/zinc/76/07/63/848760763.db2.gz XEJPXHCIEBWNCT-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001275553160 848760766 /nfs/dbraw/zinc/76/07/66/848760766.db2.gz XEJPXHCIEBWNCT-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC001275817931 848835879 /nfs/dbraw/zinc/83/58/79/848835879.db2.gz FXBUGBXLNSGXCM-GFCCVEGCSA-N 1 2 277.372 0.411 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001275817931 848835884 /nfs/dbraw/zinc/83/58/84/848835884.db2.gz FXBUGBXLNSGXCM-GFCCVEGCSA-N 1 2 277.372 0.411 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(Cc3ccccc3C#N)C2)C1 ZINC001275965444 848875597 /nfs/dbraw/zinc/87/55/97/848875597.db2.gz GPSUPHADFNSHDP-UHFFFAOYSA-N 1 2 298.390 0.764 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001095638484 849003948 /nfs/dbraw/zinc/00/39/48/849003948.db2.gz RUVUCOCHFGYYIX-CRWXNKLISA-N 1 2 299.378 0.691 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110989184 849037829 /nfs/dbraw/zinc/03/78/29/849037829.db2.gz HQWZYFQUAVGLEA-MCYUEQNJSA-N 1 2 279.384 0.796 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110989184 849037835 /nfs/dbraw/zinc/03/78/35/849037835.db2.gz HQWZYFQUAVGLEA-MCYUEQNJSA-N 1 2 279.384 0.796 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001038638374 849779415 /nfs/dbraw/zinc/77/94/15/849779415.db2.gz INAQZOQMKJJJTB-OLZOCXBDSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001038638374 849779420 /nfs/dbraw/zinc/77/94/20/849779420.db2.gz INAQZOQMKJJJTB-OLZOCXBDSA-N 1 2 299.365 0.787 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001038315945 849849274 /nfs/dbraw/zinc/84/92/74/849849274.db2.gz UVWUZEWGUYNBPD-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001038315945 849849281 /nfs/dbraw/zinc/84/92/81/849849281.db2.gz UVWUZEWGUYNBPD-QWHCGFSZSA-N 1 2 277.368 0.067 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038394884 849881411 /nfs/dbraw/zinc/88/14/11/849881411.db2.gz KHYJLXUIRKNILR-ZDUSSCGKSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001038394884 849881418 /nfs/dbraw/zinc/88/14/18/849881418.db2.gz KHYJLXUIRKNILR-ZDUSSCGKSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038435393 849896638 /nfs/dbraw/zinc/89/66/38/849896638.db2.gz SGHRINPLMFGPNT-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001038435393 849896646 /nfs/dbraw/zinc/89/66/46/849896646.db2.gz SGHRINPLMFGPNT-CYBMUJFWSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001038555425 849940458 /nfs/dbraw/zinc/94/04/58/849940458.db2.gz PZWFLGXLUHQMQC-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001038555425 849940465 /nfs/dbraw/zinc/94/04/65/849940465.db2.gz PZWFLGXLUHQMQC-GJZGRUSLSA-N 1 2 293.411 0.311 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576682 849946473 /nfs/dbraw/zinc/94/64/73/849946473.db2.gz WGHCTBBPLOARSH-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576682 849946479 /nfs/dbraw/zinc/94/64/79/849946479.db2.gz WGHCTBBPLOARSH-NSHDSACASA-N 1 2 259.309 0.989 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001038572961 849947385 /nfs/dbraw/zinc/94/73/85/849947385.db2.gz USYAWBBAHHADSJ-ZDUSSCGKSA-N 1 2 297.362 0.648 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001038572961 849947393 /nfs/dbraw/zinc/94/73/93/849947393.db2.gz USYAWBBAHHADSJ-ZDUSSCGKSA-N 1 2 297.362 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637157 849967848 /nfs/dbraw/zinc/96/78/48/849967848.db2.gz FKTQQXCVEJOKRI-ZIAGYGMSSA-N 1 2 269.348 0.935 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637157 849967854 /nfs/dbraw/zinc/96/78/54/849967854.db2.gz FKTQQXCVEJOKRI-ZIAGYGMSSA-N 1 2 269.348 0.935 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001038724757 849997019 /nfs/dbraw/zinc/99/70/19/849997019.db2.gz WWDKGBQDMKAFCZ-JHJVBQTASA-N 1 2 250.342 0.768 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001038724757 849997023 /nfs/dbraw/zinc/99/70/23/849997023.db2.gz WWDKGBQDMKAFCZ-JHJVBQTASA-N 1 2 250.342 0.768 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2CC#CC)nn1 ZINC001038785274 850017223 /nfs/dbraw/zinc/01/72/23/850017223.db2.gz YGWBRAFCZTXGAU-GFCCVEGCSA-N 1 2 273.340 0.292 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)nn1 ZINC001038785274 850017227 /nfs/dbraw/zinc/01/72/27/850017227.db2.gz YGWBRAFCZTXGAU-GFCCVEGCSA-N 1 2 273.340 0.292 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1conc1COC ZINC001038916522 850079394 /nfs/dbraw/zinc/07/93/94/850079394.db2.gz ZQFSIIUGGJRHQH-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1COC ZINC001038916522 850079399 /nfs/dbraw/zinc/07/93/99/850079399.db2.gz ZQFSIIUGGJRHQH-JTQLQIEISA-N 1 2 265.313 0.811 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)nc1 ZINC001038940641 850097030 /nfs/dbraw/zinc/09/70/30/850097030.db2.gz DIVTUNPUWIBZNX-AWEZNQCLSA-N 1 2 253.305 0.500 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)nc1 ZINC001038940641 850097039 /nfs/dbraw/zinc/09/70/39/850097039.db2.gz DIVTUNPUWIBZNX-AWEZNQCLSA-N 1 2 253.305 0.500 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001039414700 850186191 /nfs/dbraw/zinc/18/61/91/850186191.db2.gz KSJMDQMTUXHVLF-OLZOCXBDSA-N 1 2 287.367 0.815 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1C ZINC001039414700 850186193 /nfs/dbraw/zinc/18/61/93/850186193.db2.gz KSJMDQMTUXHVLF-OLZOCXBDSA-N 1 2 287.367 0.815 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CCN(CC#N)C2)C1 ZINC001041807438 850507511 /nfs/dbraw/zinc/50/75/11/850507511.db2.gz LBIODGUNKLTESJ-HNNXBMFYSA-N 1 2 287.367 0.709 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216164 850597183 /nfs/dbraw/zinc/59/71/83/850597183.db2.gz MMKPDIUXSGBQFA-YPMHNXCESA-N 1 2 290.367 0.848 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@@H]21 ZINC001042216164 850597187 /nfs/dbraw/zinc/59/71/87/850597187.db2.gz MMKPDIUXSGBQFA-YPMHNXCESA-N 1 2 290.367 0.848 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncnc2C)C1 ZINC001042507424 850671051 /nfs/dbraw/zinc/67/10/51/850671051.db2.gz WVSLPVQQYUXODM-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nnc2C)C1 ZINC001042794625 850759111 /nfs/dbraw/zinc/75/91/11/850759111.db2.gz GLZRQEZSHLTYPQ-UHFFFAOYSA-N 1 2 272.352 0.873 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001042965057 850789829 /nfs/dbraw/zinc/78/98/29/850789829.db2.gz OGSIPZRLMCOZGW-UHFFFAOYSA-N 1 2 276.340 0.113 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001043113841 850815498 /nfs/dbraw/zinc/81/54/98/850815498.db2.gz SUHUEUZKRNFELT-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001043208720 850834728 /nfs/dbraw/zinc/83/47/28/850834728.db2.gz RHLUHJHRHQCBHA-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001043601622 850907125 /nfs/dbraw/zinc/90/71/25/850907125.db2.gz ZAKTZWOVMQGMRG-OAHLLOKOSA-N 1 2 277.368 0.069 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2nnnc2C(C)C)C1 ZINC001044023970 850987093 /nfs/dbraw/zinc/98/70/93/850987093.db2.gz DZEPCDKTOHSNAH-UHFFFAOYSA-N 1 2 292.387 0.515 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2OC)C1 ZINC001044230530 851046143 /nfs/dbraw/zinc/04/61/43/851046143.db2.gz PFICPTIRXBZASC-UHFFFAOYSA-N 1 2 273.336 0.870 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccccc2-n2cnnn2)C1 ZINC001044284251 851059847 /nfs/dbraw/zinc/05/98/47/851059847.db2.gz JEVVDNINOFDGQQ-UHFFFAOYSA-N 1 2 298.350 0.605 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770493 851610204 /nfs/dbraw/zinc/61/02/04/851610204.db2.gz FKBLEHYROOCAMB-NHYWBVRUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770493 851610211 /nfs/dbraw/zinc/61/02/11/851610211.db2.gz FKBLEHYROOCAMB-NHYWBVRUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770493 851610220 /nfs/dbraw/zinc/61/02/20/851610220.db2.gz FKBLEHYROOCAMB-NHYWBVRUSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770493 851610228 /nfs/dbraw/zinc/61/02/28/851610228.db2.gz FKBLEHYROOCAMB-NHYWBVRUSA-N 1 2 289.383 0.676 20 30 CCEDLO c1cn(CCCNN=C2CCO[C@]23CCOC3)c[nH+]1 ZINC000901261518 851661614 /nfs/dbraw/zinc/66/16/14/851661614.db2.gz KUGSSWFXXFZYOS-ZDUSSCGKSA-N 1 2 264.329 0.798 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047270147 851685730 /nfs/dbraw/zinc/68/57/30/851685730.db2.gz WBNMMVFAQOJNEY-HOTGVXAUSA-N 1 2 272.348 0.562 20 30 CCEDLO CC(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047270147 851685733 /nfs/dbraw/zinc/68/57/33/851685733.db2.gz WBNMMVFAQOJNEY-HOTGVXAUSA-N 1 2 272.348 0.562 20 30 CCEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884249 852461640 /nfs/dbraw/zinc/46/16/40/852461640.db2.gz PZCIRLPOFGNWHZ-KKOKHZNYSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001096884249 852461648 /nfs/dbraw/zinc/46/16/48/852461648.db2.gz PZCIRLPOFGNWHZ-KKOKHZNYSA-N 1 2 297.786 0.739 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053437580 852744732 /nfs/dbraw/zinc/74/47/32/852744732.db2.gz XWTMVVDGXRIGPJ-OLZOCXBDSA-N 1 2 280.368 0.511 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnccn1)O2 ZINC001053566105 852760302 /nfs/dbraw/zinc/76/03/02/852760302.db2.gz JADBWFALKCSWAF-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnns1)O2 ZINC001053575704 852763271 /nfs/dbraw/zinc/76/32/71/852763271.db2.gz CYPAWLZMEQNJNB-JTQLQIEISA-N 1 2 294.380 0.687 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccncn1)O2 ZINC001053677616 852776542 /nfs/dbraw/zinc/77/65/42/852776542.db2.gz DOXJJJLOSBZKMM-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cocn1)CO2 ZINC001053757284 852808867 /nfs/dbraw/zinc/80/88/67/852808867.db2.gz RQJJLXOHVXCMFO-NSHDSACASA-N 1 2 277.324 0.824 20 30 CCEDLO CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053774173 852814369 /nfs/dbraw/zinc/81/43/69/852814369.db2.gz UOVWHWHATAJTOT-NSHDSACASA-N 1 2 274.324 0.479 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]ccc1C)CO2 ZINC001053793758 852823263 /nfs/dbraw/zinc/82/32/63/852823263.db2.gz WZYPNCRAJFSECU-ZDUSSCGKSA-N 1 2 287.363 0.920 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncccn1)CO2 ZINC001053961890 852856186 /nfs/dbraw/zinc/85/61/86/852856186.db2.gz GXSMWBAVBPNZBT-LBPRGKRZSA-N 1 2 288.351 0.626 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C)n1)CO2 ZINC001054009553 852868019 /nfs/dbraw/zinc/86/80/19/852868019.db2.gz ZMHJROXSDYBYOY-LBPRGKRZSA-N 1 2 288.351 0.017 20 30 CCEDLO CN1CCN(C2C[NH+]([C@@H]3CC[C@H](C#N)C3)C2)CC1=O ZINC001254671686 852905219 /nfs/dbraw/zinc/90/52/19/852905219.db2.gz TYOCHXNLAGAJEB-NWDGAFQWSA-N 1 2 262.357 0.137 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H](NCC#N)[C@@H](C)C1 ZINC001054795598 853016570 /nfs/dbraw/zinc/01/65/70/853016570.db2.gz ZHEKBGSSPBNJNX-AAEUAGOBSA-N 1 2 288.351 0.593 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001050000578 853289508 /nfs/dbraw/zinc/28/95/08/853289508.db2.gz ZHWUGJYCMSAMLL-GMXVVIOVSA-N 1 2 289.339 0.652 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001050000578 853289515 /nfs/dbraw/zinc/28/95/15/853289515.db2.gz ZHWUGJYCMSAMLL-GMXVVIOVSA-N 1 2 289.339 0.652 20 30 CCEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173177 853402515 /nfs/dbraw/zinc/40/25/15/853402515.db2.gz WTWXULAJHIUMRH-JSGCOSHPSA-N 1 2 278.356 0.101 20 30 CCEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173177 853402517 /nfs/dbraw/zinc/40/25/17/853402517.db2.gz WTWXULAJHIUMRH-JSGCOSHPSA-N 1 2 278.356 0.101 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnccn1 ZINC001050803098 853439374 /nfs/dbraw/zinc/43/93/74/853439374.db2.gz UOYSRSWXZSBBGI-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnccn1 ZINC001050803098 853439376 /nfs/dbraw/zinc/43/93/76/853439376.db2.gz UOYSRSWXZSBBGI-ZDUSSCGKSA-N 1 2 290.367 0.873 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001050866994 853467824 /nfs/dbraw/zinc/46/78/24/853467824.db2.gz BWLCWCCRKNWVSC-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001050866994 853467829 /nfs/dbraw/zinc/46/78/29/853467829.db2.gz BWLCWCCRKNWVSC-ZDUSSCGKSA-N 1 2 289.335 0.241 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001050924348 853488466 /nfs/dbraw/zinc/48/84/66/853488466.db2.gz FAIXJXAZRVCCRE-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001050924348 853488467 /nfs/dbraw/zinc/48/84/67/853488467.db2.gz FAIXJXAZRVCCRE-MJBXVCDLSA-N 1 2 282.384 0.805 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC)nc1 ZINC001051214149 853547480 /nfs/dbraw/zinc/54/74/80/853547480.db2.gz IMFINHXMFCLGJH-CQSZACIVSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)nc1 ZINC001051214149 853547486 /nfs/dbraw/zinc/54/74/86/853547486.db2.gz IMFINHXMFCLGJH-CQSZACIVSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051984784 853669370 /nfs/dbraw/zinc/66/93/70/853669370.db2.gz NFIPFPLZZYSYGX-HNNXBMFYSA-N 1 2 277.412 0.884 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051983804 853670114 /nfs/dbraw/zinc/67/01/14/853670114.db2.gz VAGYNVHOFIYBBS-AWEZNQCLSA-N 1 2 263.385 0.494 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051998651 853673258 /nfs/dbraw/zinc/67/32/58/853673258.db2.gz XDPSLWMPJDENMC-OLZOCXBDSA-N 1 2 282.363 0.334 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001058424703 853843626 /nfs/dbraw/zinc/84/36/26/853843626.db2.gz HGXAHVUFHJXUSE-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001068028097 853871429 /nfs/dbraw/zinc/87/14/29/853871429.db2.gz LWMFQCBKUMZMAH-NSHDSACASA-N 1 2 291.355 0.419 20 30 CCEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070607430 854081749 /nfs/dbraw/zinc/08/17/49/854081749.db2.gz VHXDCFYEXZRLPG-GHMZBOCLSA-N 1 2 261.329 0.238 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001070996129 854113264 /nfs/dbraw/zinc/11/32/64/854113264.db2.gz IOQBPHPGHOBLSB-UONOGXRCSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001070996129 854113266 /nfs/dbraw/zinc/11/32/66/854113266.db2.gz IOQBPHPGHOBLSB-UONOGXRCSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001070996127 854113551 /nfs/dbraw/zinc/11/35/51/854113551.db2.gz IOQBPHPGHOBLSB-KBPBESRZSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001070996127 854113557 /nfs/dbraw/zinc/11/35/57/854113557.db2.gz IOQBPHPGHOBLSB-KBPBESRZSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CC#Cc1ccccc1 ZINC001071783464 854289487 /nfs/dbraw/zinc/28/94/87/854289487.db2.gz PEKDASYACXQZFM-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CC#Cc1ccccc1 ZINC001071783464 854289498 /nfs/dbraw/zinc/28/94/98/854289498.db2.gz PEKDASYACXQZFM-HIFRSBDPSA-N 1 2 299.374 0.493 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071804209 854296985 /nfs/dbraw/zinc/29/69/85/854296985.db2.gz YIEHTJXVUGQJOM-QWRGUYRKSA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C ZINC001071804209 854296994 /nfs/dbraw/zinc/29/69/94/854296994.db2.gz YIEHTJXVUGQJOM-QWRGUYRKSA-N 1 2 278.356 0.894 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072552744 854414589 /nfs/dbraw/zinc/41/45/89/854414589.db2.gz SDHGVEQDWZVHCZ-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072552744 854414592 /nfs/dbraw/zinc/41/45/92/854414592.db2.gz SDHGVEQDWZVHCZ-SNVBAGLBSA-N 1 2 289.339 0.572 20 30 CCEDLO Cn1ccnc1C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072716284 854452730 /nfs/dbraw/zinc/45/27/30/854452730.db2.gz MUNYSQBCQNOVHI-UHFFFAOYSA-N 1 2 298.390 0.868 20 30 CCEDLO Cn1ccnc1C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072716284 854452738 /nfs/dbraw/zinc/45/27/38/854452738.db2.gz MUNYSQBCQNOVHI-UHFFFAOYSA-N 1 2 298.390 0.868 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)nc1 ZINC001074386024 854723181 /nfs/dbraw/zinc/72/31/81/854723181.db2.gz ZBBWLSAXXKGPIU-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)nc1 ZINC001074386024 854723186 /nfs/dbraw/zinc/72/31/86/854723186.db2.gz ZBBWLSAXXKGPIU-HZPDHXFCSA-N 1 2 299.374 0.998 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC(C)=O)[C@H](O)C1 ZINC001099668582 854961160 /nfs/dbraw/zinc/96/11/60/854961160.db2.gz FCYLXXULNQFOEI-ZIAGYGMSSA-N 1 2 280.368 0.320 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC(C)=O)[C@H](O)C1 ZINC001099668582 854961164 /nfs/dbraw/zinc/96/11/64/854961164.db2.gz FCYLXXULNQFOEI-ZIAGYGMSSA-N 1 2 280.368 0.320 20 30 CCEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1cncc(C#N)n1 ZINC001099714082 854975517 /nfs/dbraw/zinc/97/55/17/854975517.db2.gz YXPJAVHUINUYHH-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001100251006 855129598 /nfs/dbraw/zinc/12/95/98/855129598.db2.gz XQUMIVQQKLWACU-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001100734825 855216047 /nfs/dbraw/zinc/21/60/47/855216047.db2.gz ZTJRGRWSVLJENM-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO Cc1nc(N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001100950073 855246671 /nfs/dbraw/zinc/24/66/71/855246671.db2.gz NEBDOVPUWFHJFR-JQWIXIFHSA-N 1 2 273.340 0.887 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174239 855416547 /nfs/dbraw/zinc/41/65/47/855416547.db2.gz HNJFIMOVDXDSGN-CHWSQXEVSA-N 1 2 289.383 0.560 20 30 CCEDLO CC(=O)N(C)CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001102409655 855433095 /nfs/dbraw/zinc/43/30/95/855433095.db2.gz NJZBMKJUPDUHDF-UHFFFAOYSA-N 1 2 287.367 0.554 20 30 CCEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC001103117440 855498313 /nfs/dbraw/zinc/49/83/13/855498313.db2.gz HOCOPEAZRVKBOY-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001103162004 855500777 /nfs/dbraw/zinc/50/07/77/855500777.db2.gz OYQCWGOGYBPIMV-JTQLQIEISA-N 1 2 299.338 0.043 20 30 CCEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nncn1C ZINC001116616479 855798719 /nfs/dbraw/zinc/79/87/19/855798719.db2.gz LODZYNCMDAWFJD-ZANVPECISA-N 1 2 276.344 0.274 20 30 CCEDLO N#C[C@H](CO)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001118712641 856407315 /nfs/dbraw/zinc/40/73/15/856407315.db2.gz CVNGZFBAGSIROX-CYBMUJFWSA-N 1 2 289.335 0.133 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001119059340 856546520 /nfs/dbraw/zinc/54/65/20/856546520.db2.gz VZAZFJQTHCQCQL-JTQLQIEISA-N 1 2 264.285 0.359 20 30 CCEDLO C=CCNC(=O)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC001120035214 856965911 /nfs/dbraw/zinc/96/59/11/856965911.db2.gz RYLSMIRNIVNLPC-SNVBAGLBSA-N 1 2 279.344 0.374 20 30 CCEDLO C=CCNC(=O)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC001120035214 856965919 /nfs/dbraw/zinc/96/59/19/856965919.db2.gz RYLSMIRNIVNLPC-SNVBAGLBSA-N 1 2 279.344 0.374 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001323287846 912246304 /nfs/dbraw/zinc/24/63/04/912246304.db2.gz UZNLZNNQMDPOCB-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001323287846 912246320 /nfs/dbraw/zinc/24/63/20/912246320.db2.gz UZNLZNNQMDPOCB-OLZOCXBDSA-N 1 2 277.368 0.259 20 30 CCEDLO CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324571506 912910413 /nfs/dbraw/zinc/91/04/13/912910413.db2.gz BCSYFJBCNRKSMD-HNNXBMFYSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324571506 912910434 /nfs/dbraw/zinc/91/04/34/912910434.db2.gz BCSYFJBCNRKSMD-HNNXBMFYSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(Cl)o2)C1 ZINC001325174327 913258784 /nfs/dbraw/zinc/25/87/84/913258784.db2.gz OVDDCQAGPGSVFU-UHFFFAOYSA-N 1 2 282.727 0.733 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001325217054 913288817 /nfs/dbraw/zinc/28/88/17/913288817.db2.gz KNNWDXWMNVXECF-STQMWFEESA-N 1 2 282.384 0.683 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CC(C)(C)C=C)C1 ZINC001325218157 913286643 /nfs/dbraw/zinc/28/66/43/913286643.db2.gz XIQVQMPYFZLLQE-UHFFFAOYSA-N 1 2 264.369 0.775 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC001480864489 891421679 /nfs/dbraw/zinc/42/16/79/891421679.db2.gz QAEQMYOXMNUQTR-NSHDSACASA-N 1 2 281.381 0.729 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001480864489 891421685 /nfs/dbraw/zinc/42/16/85/891421685.db2.gz QAEQMYOXMNUQTR-NSHDSACASA-N 1 2 281.381 0.729 20 30 CCEDLO C=C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001480949152 891929998 /nfs/dbraw/zinc/92/99/98/891929998.db2.gz DGJNPMTXDKZKJM-CYBMUJFWSA-N 1 2 275.352 0.490 20 30 CCEDLO C=C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001480949152 891930001 /nfs/dbraw/zinc/93/00/01/891930001.db2.gz DGJNPMTXDKZKJM-CYBMUJFWSA-N 1 2 275.352 0.490 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCOCCOCC ZINC001267713278 892349921 /nfs/dbraw/zinc/34/99/21/892349921.db2.gz DUNOUSHCLSUIGV-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCOCCOCC ZINC001267713278 892349939 /nfs/dbraw/zinc/34/99/39/892349939.db2.gz DUNOUSHCLSUIGV-GJZGRUSLSA-N 1 2 294.395 0.738 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001009204945 892579647 /nfs/dbraw/zinc/57/96/47/892579647.db2.gz RRYAJHPCYKKTER-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001009204945 892579653 /nfs/dbraw/zinc/57/96/53/892579653.db2.gz RRYAJHPCYKKTER-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001009204945 892579663 /nfs/dbraw/zinc/57/96/63/892579663.db2.gz RRYAJHPCYKKTER-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001009204945 892579672 /nfs/dbraw/zinc/57/96/72/892579672.db2.gz RRYAJHPCYKKTER-RYUDHWBXSA-N 1 2 289.383 0.676 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001342711687 892797652 /nfs/dbraw/zinc/79/76/52/892797652.db2.gz DVPJZIRZDJQFEC-QWRGUYRKSA-N 1 2 252.318 0.772 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](CCOCC(C)C)C1 ZINC001481556015 892829078 /nfs/dbraw/zinc/82/90/78/892829078.db2.gz QKMBGLAQUUYNNG-OAHLLOKOSA-N 1 2 284.400 0.787 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001481566474 892841831 /nfs/dbraw/zinc/84/18/31/892841831.db2.gz MMLGEDKOBOVCSF-UHFFFAOYSA-N 1 2 293.342 0.766 20 30 CCEDLO C=CCCCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481642714 892953953 /nfs/dbraw/zinc/95/39/53/892953953.db2.gz KCRBGEWWZLQVER-UHFFFAOYSA-N 1 2 267.373 0.479 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001481667321 892984737 /nfs/dbraw/zinc/98/47/37/892984737.db2.gz BOFHIABPZWVSGQ-VWYCJHECSA-N 1 2 251.330 0.112 20 30 CCEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001481667321 892984749 /nfs/dbraw/zinc/98/47/49/892984749.db2.gz BOFHIABPZWVSGQ-VWYCJHECSA-N 1 2 251.330 0.112 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O ZINC001481668068 892986777 /nfs/dbraw/zinc/98/67/77/892986777.db2.gz CIVCLRFTWSOAQT-MELADBBJSA-N 1 2 291.395 0.729 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O ZINC001481668068 892986789 /nfs/dbraw/zinc/98/67/89/892986789.db2.gz CIVCLRFTWSOAQT-MELADBBJSA-N 1 2 291.395 0.729 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCCC1 ZINC001481697379 893020651 /nfs/dbraw/zinc/02/06/51/893020651.db2.gz KTVSAJOBMXSYRL-LBPRGKRZSA-N 1 2 279.384 0.799 20 30 CCEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCCC1 ZINC001481697379 893020672 /nfs/dbraw/zinc/02/06/72/893020672.db2.gz KTVSAJOBMXSYRL-LBPRGKRZSA-N 1 2 279.384 0.799 20 30 CCEDLO CN(C(=O)CCC1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481720271 893091910 /nfs/dbraw/zinc/09/19/10/893091910.db2.gz MITBLFQOGVRNKF-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO CN(C(=O)CCC1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481720271 893091930 /nfs/dbraw/zinc/09/19/30/893091930.db2.gz MITBLFQOGVRNKF-CYBMUJFWSA-N 1 2 292.383 0.349 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)OC)C1 ZINC001482184703 893474918 /nfs/dbraw/zinc/47/49/18/893474918.db2.gz NGMBKYJWOZDNLU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)OC)C1 ZINC001482184703 893474927 /nfs/dbraw/zinc/47/49/27/893474927.db2.gz NGMBKYJWOZDNLU-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C[C@H]1CN(C(=O)c2csc(C#N)c2)CC[N@@H+]1CCO ZINC001362378832 893561615 /nfs/dbraw/zinc/56/16/15/893561615.db2.gz RYVSEKRCUFAFMT-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1CN(C(=O)c2csc(C#N)c2)CC[N@H+]1CCO ZINC001362378832 893561628 /nfs/dbraw/zinc/56/16/28/893561628.db2.gz RYVSEKRCUFAFMT-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@H](C)C#N ZINC001482913864 894693438 /nfs/dbraw/zinc/69/34/38/894693438.db2.gz DPEYCYJLUXEIEN-SECBINFHSA-N 1 2 265.317 0.476 20 30 CCEDLO CN(CCCNCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483476911 895597985 /nfs/dbraw/zinc/59/79/85/895597985.db2.gz LEJQXJICCAONRM-LBPRGKRZSA-N 1 2 275.356 0.407 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001483652247 895800938 /nfs/dbraw/zinc/80/09/38/895800938.db2.gz GEWIAKUGMGSCET-AAEUAGOBSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001483652247 895800949 /nfs/dbraw/zinc/80/09/49/895800949.db2.gz GEWIAKUGMGSCET-AAEUAGOBSA-N 1 2 289.335 0.222 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661748 895819812 /nfs/dbraw/zinc/81/98/12/895819812.db2.gz OBIDRRVDRPWKAV-CQSZACIVSA-N 1 2 282.347 0.701 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661748 895819829 /nfs/dbraw/zinc/81/98/29/895819829.db2.gz OBIDRRVDRPWKAV-CQSZACIVSA-N 1 2 282.347 0.701 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001483673948 895831547 /nfs/dbraw/zinc/83/15/47/895831547.db2.gz VJKZXSSTMJEKMM-CQSZACIVSA-N 1 2 291.395 0.603 20 30 CCEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001483673948 895831567 /nfs/dbraw/zinc/83/15/67/895831567.db2.gz VJKZXSSTMJEKMM-CQSZACIVSA-N 1 2 291.395 0.603 20 30 CCEDLO COCC#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001483735632 895946633 /nfs/dbraw/zinc/94/66/33/895946633.db2.gz ZGAQRGFPENEKBX-VIFPVBQESA-N 1 2 296.264 0.775 20 30 CCEDLO COCC#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001483735632 895946648 /nfs/dbraw/zinc/94/66/48/895946648.db2.gz ZGAQRGFPENEKBX-VIFPVBQESA-N 1 2 296.264 0.775 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001483869733 896094783 /nfs/dbraw/zinc/09/47/83/896094783.db2.gz GAWFUSSUVRZTAO-STQMWFEESA-N 1 2 282.384 0.757 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)COCC ZINC001326611742 914048162 /nfs/dbraw/zinc/04/81/62/914048162.db2.gz MOIZFIFULRRHIP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)COCC ZINC001326611742 914048179 /nfs/dbraw/zinc/04/81/79/914048179.db2.gz MOIZFIFULRRHIP-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C[C@H](NCC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484354425 896355584 /nfs/dbraw/zinc/35/55/84/896355584.db2.gz YFBYMMDYBCPDJL-NWDGAFQWSA-N 1 2 275.356 0.313 20 30 CCEDLO CC(C)C#CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001484775356 896597813 /nfs/dbraw/zinc/59/78/13/896597813.db2.gz LSWJYJQNXKEWPX-UHFFFAOYSA-N 1 2 264.369 0.967 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484781006 896598386 /nfs/dbraw/zinc/59/83/86/896598386.db2.gz AKVMGFOLOAVBRB-CYBMUJFWSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484786678 896603223 /nfs/dbraw/zinc/60/32/23/896603223.db2.gz OOEODAPJCNRMIM-KBPBESRZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001484800553 896603302 /nfs/dbraw/zinc/60/33/02/896603302.db2.gz AUCTWDPBWUNQIU-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO CCCC[C@@H](CNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001485468922 897061637 /nfs/dbraw/zinc/06/16/37/897061637.db2.gz BNTIZNFNBZJUKB-LBPRGKRZSA-N 1 2 277.372 0.751 20 30 CCEDLO CN(C(=O)CCc1[nH+]ccn1C)[C@H](CNCC#N)C1CC1 ZINC001485819163 897290047 /nfs/dbraw/zinc/29/00/47/897290047.db2.gz FWKSVEAAQRESKX-CYBMUJFWSA-N 1 2 289.383 0.703 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)n1 ZINC001032370714 897326964 /nfs/dbraw/zinc/32/69/64/897326964.db2.gz JVHQQCQRKQKJKH-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)n1 ZINC001032370714 897326972 /nfs/dbraw/zinc/32/69/72/897326972.db2.gz JVHQQCQRKQKJKH-RYUDHWBXSA-N 1 2 259.309 0.905 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001107848610 897351174 /nfs/dbraw/zinc/35/11/74/897351174.db2.gz RQFWNMDBQDYWBO-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001107848610 897351188 /nfs/dbraw/zinc/35/11/88/897351188.db2.gz RQFWNMDBQDYWBO-OAHLLOKOSA-N 1 2 288.351 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001077730227 897359934 /nfs/dbraw/zinc/35/99/34/897359934.db2.gz RUSHUJFLNSODSL-BYNSBNAKSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001077730227 897359951 /nfs/dbraw/zinc/35/99/51/897359951.db2.gz RUSHUJFLNSODSL-BYNSBNAKSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001077739256 897384968 /nfs/dbraw/zinc/38/49/68/897384968.db2.gz JOJNRSSWSVABGL-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001077739256 897384984 /nfs/dbraw/zinc/38/49/84/897384984.db2.gz JOJNRSSWSVABGL-ZIAGYGMSSA-N 1 2 276.311 0.542 20 30 CCEDLO C[C@H](CNc1cnc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001107900535 897466532 /nfs/dbraw/zinc/46/65/32/897466532.db2.gz SCZKUQNXSHDDGX-SECBINFHSA-N 1 2 285.311 0.231 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107903626 897472380 /nfs/dbraw/zinc/47/23/80/897472380.db2.gz WOLOBDYIGRZRRR-HZPDHXFCSA-N 1 2 294.395 0.544 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107903626 897472390 /nfs/dbraw/zinc/47/23/90/897472390.db2.gz WOLOBDYIGRZRRR-HZPDHXFCSA-N 1 2 294.395 0.544 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001032410733 897491805 /nfs/dbraw/zinc/49/18/05/897491805.db2.gz RRGLFVZBMZDOQN-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001032410733 897491822 /nfs/dbraw/zinc/49/18/22/897491822.db2.gz RRGLFVZBMZDOQN-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCOC2 ZINC001032439849 897567984 /nfs/dbraw/zinc/56/79/84/897567984.db2.gz WDQBKKYBZKAZMI-STQMWFEESA-N 1 2 285.347 0.619 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCOC2 ZINC001032439849 897567991 /nfs/dbraw/zinc/56/79/91/897567991.db2.gz WDQBKKYBZKAZMI-STQMWFEESA-N 1 2 285.347 0.619 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc(C)o1 ZINC001032442774 897575621 /nfs/dbraw/zinc/57/56/21/897575621.db2.gz BVURUQZAQDPEPT-STQMWFEESA-N 1 2 273.336 0.834 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc(C)o1 ZINC001032442774 897575632 /nfs/dbraw/zinc/57/56/32/897575632.db2.gz BVURUQZAQDPEPT-STQMWFEESA-N 1 2 273.336 0.834 20 30 CCEDLO N#CCN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2)C1 ZINC001089910477 897611412 /nfs/dbraw/zinc/61/14/12/897611412.db2.gz AHMPKVAUFHJOKA-AJNGGQMLSA-N 1 2 299.378 0.575 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc[nH]c2n1 ZINC001032469708 897613056 /nfs/dbraw/zinc/61/30/56/897613056.db2.gz ZXZOMEVYIQGTQL-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc[nH]c2n1 ZINC001032469708 897613066 /nfs/dbraw/zinc/61/30/66/897613066.db2.gz ZXZOMEVYIQGTQL-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)c1C ZINC001032475518 897620527 /nfs/dbraw/zinc/62/05/27/897620527.db2.gz UEGGERLSDGSRAZ-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)c1C ZINC001032475518 897620531 /nfs/dbraw/zinc/62/05/31/897620531.db2.gz UEGGERLSDGSRAZ-STQMWFEESA-N 1 2 285.347 0.931 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1CC ZINC001032484028 897636053 /nfs/dbraw/zinc/63/60/53/897636053.db2.gz DMTGVXNXUXVEAE-STQMWFEESA-N 1 2 284.363 0.879 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1CC ZINC001032484028 897636063 /nfs/dbraw/zinc/63/60/63/897636063.db2.gz DMTGVXNXUXVEAE-STQMWFEESA-N 1 2 284.363 0.879 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001032484857 897637412 /nfs/dbraw/zinc/63/74/12/897637412.db2.gz PTBXFDXLDHQSRS-AGIUHOORSA-N 1 2 285.351 0.254 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncn1C ZINC001032501904 897662972 /nfs/dbraw/zinc/66/29/72/897662972.db2.gz BODFPPYWXUKWEA-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncn1C ZINC001032501904 897662979 /nfs/dbraw/zinc/66/29/79/897662979.db2.gz BODFPPYWXUKWEA-RYUDHWBXSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001038522104 897676966 /nfs/dbraw/zinc/67/69/66/897676966.db2.gz QDERNTRFLOKNBT-STQMWFEESA-N 1 2 287.367 0.054 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001038522104 897676976 /nfs/dbraw/zinc/67/69/76/897676976.db2.gz QDERNTRFLOKNBT-STQMWFEESA-N 1 2 287.367 0.054 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001032521351 897698437 /nfs/dbraw/zinc/69/84/37/897698437.db2.gz HQKQNPZCAJAYOF-QWRGUYRKSA-N 1 2 289.335 0.468 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001032521351 897698439 /nfs/dbraw/zinc/69/84/39/897698439.db2.gz HQKQNPZCAJAYOF-QWRGUYRKSA-N 1 2 289.335 0.468 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)NC1 ZINC001032580484 897774187 /nfs/dbraw/zinc/77/41/87/897774187.db2.gz OWYFCSSNNNJCSC-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)NC1 ZINC001032580484 897774194 /nfs/dbraw/zinc/77/41/94/897774194.db2.gz OWYFCSSNNNJCSC-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1OC ZINC001032659077 897907354 /nfs/dbraw/zinc/90/73/54/897907354.db2.gz QTZWAZZZDRKFIK-RYUDHWBXSA-N 1 2 288.351 0.269 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1OC ZINC001032659077 897907370 /nfs/dbraw/zinc/90/73/70/897907370.db2.gz QTZWAZZZDRKFIK-RYUDHWBXSA-N 1 2 288.351 0.269 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)nn1 ZINC001032705111 897941840 /nfs/dbraw/zinc/94/18/40/897941840.db2.gz INYRGPWGJJEMBJ-RYUDHWBXSA-N 1 2 273.340 0.391 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)nn1 ZINC001032705111 897941850 /nfs/dbraw/zinc/94/18/50/897941850.db2.gz INYRGPWGJJEMBJ-RYUDHWBXSA-N 1 2 273.340 0.391 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012880 898110313 /nfs/dbraw/zinc/11/03/13/898110313.db2.gz GSXDXICSVAXJCP-IUODEOHRSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012880 898110328 /nfs/dbraw/zinc/11/03/28/898110328.db2.gz GSXDXICSVAXJCP-IUODEOHRSA-N 1 2 295.383 0.048 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](CNCC#N)C1CC1 ZINC001485836245 898140643 /nfs/dbraw/zinc/14/06/43/898140643.db2.gz XKTUQFHTPAJLJM-CYBMUJFWSA-N 1 2 275.356 0.611 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1CC ZINC001032786838 898203888 /nfs/dbraw/zinc/20/38/88/898203888.db2.gz TUGLJFXJQFMDQT-RYUDHWBXSA-N 1 2 270.336 0.571 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1CC ZINC001032786838 898203893 /nfs/dbraw/zinc/20/38/93/898203893.db2.gz TUGLJFXJQFMDQT-RYUDHWBXSA-N 1 2 270.336 0.571 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001078048350 898206645 /nfs/dbraw/zinc/20/66/45/898206645.db2.gz LHLCETZFNKFLDF-HTQZYQBOSA-N 1 2 271.704 0.289 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001078048350 898206664 /nfs/dbraw/zinc/20/66/64/898206664.db2.gz LHLCETZFNKFLDF-HTQZYQBOSA-N 1 2 271.704 0.289 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)n1 ZINC001032788054 898216072 /nfs/dbraw/zinc/21/60/72/898216072.db2.gz JDIJVCVIUXPAJC-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)n1 ZINC001032788054 898216089 /nfs/dbraw/zinc/21/60/89/898216089.db2.gz JDIJVCVIUXPAJC-RYUDHWBXSA-N 1 2 256.309 0.317 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)n1 ZINC001032788682 898225881 /nfs/dbraw/zinc/22/58/81/898225881.db2.gz DAIQDTLMWBHPCX-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)n1 ZINC001032788682 898225900 /nfs/dbraw/zinc/22/59/00/898225900.db2.gz DAIQDTLMWBHPCX-STQMWFEESA-N 1 2 270.336 0.707 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CCCF)CCC[N@@H+]1CC(=O)NCC#N ZINC001486178382 898699285 /nfs/dbraw/zinc/69/92/85/898699285.db2.gz CPYUHZVXNZQHNL-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@@H]1[C@H](NC(=O)CCCF)CCC[N@H+]1CC(=O)NCC#N ZINC001486178382 898699297 /nfs/dbraw/zinc/69/92/97/898699297.db2.gz CPYUHZVXNZQHNL-VXGBXAGGSA-N 1 2 298.362 0.345 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001486278955 898738951 /nfs/dbraw/zinc/73/89/51/898738951.db2.gz PKOVBCAIRCBWKC-SFYZADRCSA-N 1 2 272.242 0.482 20 30 CCEDLO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001486278955 898738958 /nfs/dbraw/zinc/73/89/58/898738958.db2.gz PKOVBCAIRCBWKC-SFYZADRCSA-N 1 2 272.242 0.482 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001486980590 899090961 /nfs/dbraw/zinc/09/09/61/899090961.db2.gz KNZVOGXOKLLZPW-QWRGUYRKSA-N 1 2 291.355 0.085 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001490424644 900623259 /nfs/dbraw/zinc/62/32/59/900623259.db2.gz GHNNKSNTYOIJBG-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001490424644 900623268 /nfs/dbraw/zinc/62/32/68/900623268.db2.gz GHNNKSNTYOIJBG-ZJUUUORDSA-N 1 2 289.326 0.523 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001490432179 900628591 /nfs/dbraw/zinc/62/85/91/900628591.db2.gz DVRGAWDWUJVVTE-NWDGAFQWSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001490432179 900628597 /nfs/dbraw/zinc/62/85/97/900628597.db2.gz DVRGAWDWUJVVTE-NWDGAFQWSA-N 1 2 292.383 0.253 20 30 CCEDLO CC[C@H](C)C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001490481545 900637895 /nfs/dbraw/zinc/63/78/95/900637895.db2.gz FVQGEDFYELVFAR-HNNXBMFYSA-N 1 2 295.427 0.416 20 30 CCEDLO CC[C@H](C)C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001490481545 900637903 /nfs/dbraw/zinc/63/79/03/900637903.db2.gz FVQGEDFYELVFAR-HNNXBMFYSA-N 1 2 295.427 0.416 20 30 CCEDLO C=CCCC(=O)N[C@@H]1COC2(C[NH+](CCOCC)C2)C1 ZINC001327378493 914509335 /nfs/dbraw/zinc/50/93/35/914509335.db2.gz HIFYGXBFAHVVBP-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001411664125 901187191 /nfs/dbraw/zinc/18/71/91/901187191.db2.gz FDSYEZRNBDJUNO-MNOVXSKESA-N 1 2 291.355 0.465 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001327397370 914518317 /nfs/dbraw/zinc/51/83/17/914518317.db2.gz QFRSGAZQUUFJHD-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO CC(C)C#CC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001276044613 901787756 /nfs/dbraw/zinc/78/77/56/901787756.db2.gz TXFWIUNFYQDGHA-UHFFFAOYSA-N 1 2 270.348 0.558 20 30 CCEDLO C[C@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)n1cnc(C#N)n1 ZINC001412677029 901932813 /nfs/dbraw/zinc/93/28/13/901932813.db2.gz JQPWTKAWWHCAFM-SECBINFHSA-N 1 2 299.338 0.629 20 30 CCEDLO Cc1cc(NC[C@]2(CO)COCC[N@H+]2C)ncc1C#N ZINC001412915554 902357628 /nfs/dbraw/zinc/35/76/28/902357628.db2.gz CHYFMGJSVALGGD-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1cc(NC[C@]2(CO)COCC[N@@H+]2C)ncc1C#N ZINC001412915554 902357639 /nfs/dbraw/zinc/35/76/39/902357639.db2.gz CHYFMGJSVALGGD-AWEZNQCLSA-N 1 2 276.340 0.367 20 30 CCEDLO Cc1c(C#N)c(=O)n(Cc2cc[nH+]c(N)c2)c(=O)n1C1CC1 ZINC001412930538 902363408 /nfs/dbraw/zinc/36/34/08/902363408.db2.gz XSOGFFZAPYOQOV-UHFFFAOYSA-N 1 2 297.318 0.551 20 30 CCEDLO C[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1nncs1 ZINC001491398554 903540564 /nfs/dbraw/zinc/54/05/64/903540564.db2.gz IMDGVALYUQZWDU-QMMMGPOBSA-N 1 2 285.398 0.389 20 30 CCEDLO C=CCOCC(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001491415870 903566816 /nfs/dbraw/zinc/56/68/16/903566816.db2.gz UYIDDKYDZLBXQL-VIFPVBQESA-N 1 2 270.358 0.335 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)N(C)CC#N ZINC001329575723 903811065 /nfs/dbraw/zinc/81/10/65/903811065.db2.gz VZOGUSHOGLRYTD-WDEREUQCSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)N(C)CC#N ZINC001329575723 903811075 /nfs/dbraw/zinc/81/10/75/903811075.db2.gz VZOGUSHOGLRYTD-WDEREUQCSA-N 1 2 263.345 0.548 20 30 CCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCN(C)CC#N ZINC001280863660 903909556 /nfs/dbraw/zinc/90/95/56/903909556.db2.gz DRMNBEMSZRUHIA-LBPRGKRZSA-N 1 2 277.372 0.892 20 30 CCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCN(C)CC#N ZINC001280863660 903909570 /nfs/dbraw/zinc/90/95/70/903909570.db2.gz DRMNBEMSZRUHIA-LBPRGKRZSA-N 1 2 277.372 0.892 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001280677805 904137128 /nfs/dbraw/zinc/13/71/28/904137128.db2.gz JTEQRBIHAAKODP-CQSZACIVSA-N 1 2 281.400 0.163 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCOC)CCO2 ZINC001280890690 904166780 /nfs/dbraw/zinc/16/67/80/904166780.db2.gz XIDZYCIDASLFOG-UHFFFAOYSA-N 1 2 268.357 0.512 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](OC)C(C)C)CO2 ZINC001280969598 904185415 /nfs/dbraw/zinc/18/54/15/904185415.db2.gz QRTSZNGRGCFRCN-ZIAGYGMSSA-N 1 2 294.395 0.640 20 30 CCEDLO CN(CC#N)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001281968782 904376339 /nfs/dbraw/zinc/37/63/39/904376339.db2.gz OQSCFEZKZSDQAH-GFCCVEGCSA-N 1 2 261.329 0.329 20 30 CCEDLO C[C@@H](NCC#N)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282156709 904425878 /nfs/dbraw/zinc/42/58/78/904425878.db2.gz PNSLGECIWUPJPQ-MNOVXSKESA-N 1 2 271.324 0.954 20 30 CCEDLO C[C@H](NC(=O)C(C)(C)C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001282740139 904534635 /nfs/dbraw/zinc/53/46/35/904534635.db2.gz XPVFHIRUYAFPOS-JTQLQIEISA-N 1 2 280.372 0.109 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283204322 904755093 /nfs/dbraw/zinc/75/50/93/904755093.db2.gz SNODTFUCTFOUQT-CHWSQXEVSA-N 1 2 289.383 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001377309794 904773261 /nfs/dbraw/zinc/77/32/61/904773261.db2.gz SMFOTMBQQWKEGC-UHFFFAOYSA-N 1 2 285.779 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001377309794 904773271 /nfs/dbraw/zinc/77/32/71/904773271.db2.gz SMFOTMBQQWKEGC-UHFFFAOYSA-N 1 2 285.779 0.846 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCNCC#N ZINC001283247787 904777598 /nfs/dbraw/zinc/77/75/98/904777598.db2.gz IAQAJSCWAWFDGT-NEPJUHHUSA-N 1 2 277.372 0.986 20 30 CCEDLO C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)NCC#N ZINC001283647623 904944482 /nfs/dbraw/zinc/94/44/82/904944482.db2.gz CJUWPRNUCFQQTC-NSHDSACASA-N 1 2 263.345 0.313 20 30 CCEDLO CC(C)C#CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001284272971 905229292 /nfs/dbraw/zinc/22/92/92/905229292.db2.gz KKEKBASDTXJCGO-GFCCVEGCSA-N 1 2 276.340 0.163 20 30 CCEDLO C#CCCCCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284948082 905503711 /nfs/dbraw/zinc/50/37/11/905503711.db2.gz XYHNPTVCDXRYKC-UHFFFAOYSA-N 1 2 288.351 0.473 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001285664715 905711089 /nfs/dbraw/zinc/71/10/89/905711089.db2.gz YQKYDQYLNAKUQL-GFCCVEGCSA-N 1 2 276.340 0.163 20 30 CCEDLO C=CCn1nnnc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001333672715 906080190 /nfs/dbraw/zinc/08/01/90/906080190.db2.gz GYKWKJWNRFPAIW-RYUDHWBXSA-N 1 2 278.360 0.159 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379761281 906472018 /nfs/dbraw/zinc/47/20/18/906472018.db2.gz IJPDGXLFNPADIU-IINYFYTJSA-N 1 2 289.339 0.219 20 30 CCEDLO CCC(=O)NCCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC001294645607 906609766 /nfs/dbraw/zinc/60/97/66/906609766.db2.gz QWYLWYABGUMAAK-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491707239 907531751 /nfs/dbraw/zinc/53/17/51/907531751.db2.gz COWSVOBRMNKRAU-NEPJUHHUSA-N 1 2 291.355 0.616 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)CCn1cc[nH+]c1 ZINC001383818220 908084660 /nfs/dbraw/zinc/08/46/60/908084660.db2.gz UWKRQYAECVOIQE-NWDGAFQWSA-N 1 2 291.355 0.396 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)C=CCC1 ZINC001317456783 908250261 /nfs/dbraw/zinc/25/02/61/908250261.db2.gz OFCUZAUCCFKFQQ-OAHLLOKOSA-N 1 2 277.368 0.140 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)C=CCC1 ZINC001317456783 908250272 /nfs/dbraw/zinc/25/02/72/908250272.db2.gz OFCUZAUCCFKFQQ-OAHLLOKOSA-N 1 2 277.368 0.140 20 30 CCEDLO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1nnc[nH]1 ZINC001317487691 908491573 /nfs/dbraw/zinc/49/15/73/908491573.db2.gz CJDURRIOHBCDTB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@H+](CC#Cc1ccccc1)CCNC(=O)c1nnc[nH]1 ZINC001317487691 908491584 /nfs/dbraw/zinc/49/15/84/908491584.db2.gz CJDURRIOHBCDTB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1ncn[nH]1 ZINC001317487691 908491592 /nfs/dbraw/zinc/49/15/92/908491592.db2.gz CJDURRIOHBCDTB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@H+](CC#Cc1ccccc1)CCNC(=O)c1ncn[nH]1 ZINC001317487691 908491607 /nfs/dbraw/zinc/49/16/07/908491607.db2.gz CJDURRIOHBCDTB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1nc[nH]n1 ZINC001317487691 908491615 /nfs/dbraw/zinc/49/16/15/908491615.db2.gz CJDURRIOHBCDTB-UHFFFAOYSA-N 1 2 297.362 0.908 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001386108434 908601803 /nfs/dbraw/zinc/60/18/03/908601803.db2.gz PJZJOQNUFNJUSZ-QWRGUYRKSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C(F)(F)F ZINC001316967324 908882281 /nfs/dbraw/zinc/88/22/81/908882281.db2.gz ZLTBMXOUYHQPAJ-SNVBAGLBSA-N 1 2 292.305 0.442 20 30 CCEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001317168236 909029274 /nfs/dbraw/zinc/02/92/74/909029274.db2.gz BSRYQZHZIGLLDG-GFCCVEGCSA-N 1 2 275.356 0.341 20 30 CCEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001317168236 909029290 /nfs/dbraw/zinc/02/92/90/909029290.db2.gz BSRYQZHZIGLLDG-GFCCVEGCSA-N 1 2 275.356 0.341 20 30 CCEDLO Cc1ncc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001317444232 909209819 /nfs/dbraw/zinc/20/98/19/909209819.db2.gz SZLMBEFDHLVFKL-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO Cc1ncc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001317444232 909209832 /nfs/dbraw/zinc/20/98/32/909209832.db2.gz SZLMBEFDHLVFKL-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001317459454 909236276 /nfs/dbraw/zinc/23/62/76/909236276.db2.gz XHMZJIGKBJPYHA-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001317459454 909236289 /nfs/dbraw/zinc/23/62/89/909236289.db2.gz XHMZJIGKBJPYHA-UHFFFAOYSA-N 1 2 255.362 0.479 20 30 CCEDLO Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001317572248 909361544 /nfs/dbraw/zinc/36/15/44/909361544.db2.gz CVTSAFNOHCZCHI-SECBINFHSA-N 1 2 250.302 0.691 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@]12C[C@H]1CCC2 ZINC001317819715 909509660 /nfs/dbraw/zinc/50/96/60/909509660.db2.gz FMULYJXAWNBXCE-GDBMZVCRSA-N 1 2 290.411 0.776 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@]1(C)C=CCC1 ZINC001317819892 909512353 /nfs/dbraw/zinc/51/23/53/909512353.db2.gz KAGHSBIQZXMEMF-INIZCTEOSA-N 1 2 290.411 0.942 20 30 CCEDLO CN(CC[NH+]1CCN(CCF)CC1)C(=O)C#CC1CC1 ZINC001317818856 909512476 /nfs/dbraw/zinc/51/24/76/909512476.db2.gz KHOFSWYZZMYRNM-UHFFFAOYSA-N 1 2 281.375 0.445 20 30 CCEDLO C=CCOCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317963706 909556441 /nfs/dbraw/zinc/55/64/41/909556441.db2.gz BCJIYIIOJXQLFQ-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C=CCOCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317963706 909556449 /nfs/dbraw/zinc/55/64/49/909556449.db2.gz BCJIYIIOJXQLFQ-LBPRGKRZSA-N 1 2 283.372 0.035 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001318059985 909604324 /nfs/dbraw/zinc/60/43/24/909604324.db2.gz AISZVBFGAWEALR-TZMCWYRMSA-N 1 2 270.373 0.396 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001318118846 909632869 /nfs/dbraw/zinc/63/28/69/909632869.db2.gz DRTJRMUNBPANIJ-GFCCVEGCSA-N 1 2 290.367 0.006 20 30 CCEDLO Cc1oncc1C[NH+]1CC(CNC(=O)C#CC2CC2)C1 ZINC001318119609 909632980 /nfs/dbraw/zinc/63/29/80/909632980.db2.gz WUKZENAKFCDQRI-UHFFFAOYSA-N 1 2 273.336 0.944 20 30 CCEDLO C#CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001318301006 909697664 /nfs/dbraw/zinc/69/76/64/909697664.db2.gz ALCZJCPAWNPUKS-VXGBXAGGSA-N 1 2 295.364 0.093 20 30 CCEDLO N#CCNC[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319135690 909996415 /nfs/dbraw/zinc/99/64/15/909996415.db2.gz YNZBFJBLGFVMIS-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO N#CCN1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC001338688985 921546132 /nfs/dbraw/zinc/54/61/32/921546132.db2.gz AMIYTXJREUOORH-UHFFFAOYSA-N 1 2 276.344 0.170 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001319331771 910100997 /nfs/dbraw/zinc/10/09/97/910100997.db2.gz IBJMGLGCDMSWQI-ZDUSSCGKSA-N 1 2 295.408 0.997 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001319331771 910101004 /nfs/dbraw/zinc/10/10/04/910101004.db2.gz IBJMGLGCDMSWQI-ZDUSSCGKSA-N 1 2 295.408 0.997 20 30 CCEDLO COc1ncnc(N)c1C=[NH+]NCC1CCOCC1 ZINC001319346392 910110520 /nfs/dbraw/zinc/11/05/20/910110520.db2.gz QMLGHIQUWBOUHK-UHFFFAOYSA-N 1 2 265.317 0.418 20 30 CCEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001319772918 910291282 /nfs/dbraw/zinc/29/12/82/910291282.db2.gz HZOYUAJHRHDNLL-UHFFFAOYSA-N 1 2 278.356 0.557 20 30 CCEDLO C#CCOCC[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001319772918 910291294 /nfs/dbraw/zinc/29/12/94/910291294.db2.gz HZOYUAJHRHDNLL-UHFFFAOYSA-N 1 2 278.356 0.557 20 30 CCEDLO C[C@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001320058871 910437972 /nfs/dbraw/zinc/43/79/72/910437972.db2.gz MWARLKHYTRAWAW-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001320058871 910437984 /nfs/dbraw/zinc/43/79/84/910437984.db2.gz MWARLKHYTRAWAW-STQMWFEESA-N 1 2 294.399 0.453 20 30 CCEDLO C=C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001320085436 910458157 /nfs/dbraw/zinc/45/81/57/910458157.db2.gz QWOIHYICNYNJRZ-AWEZNQCLSA-N 1 2 289.379 0.832 20 30 CCEDLO C=C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001320085436 910458173 /nfs/dbraw/zinc/45/81/73/910458173.db2.gz QWOIHYICNYNJRZ-AWEZNQCLSA-N 1 2 289.379 0.832 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320234023 910544240 /nfs/dbraw/zinc/54/42/40/910544240.db2.gz UEJMQDVWPRATHV-JGVFFNPUSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001320234023 910544249 /nfs/dbraw/zinc/54/42/49/910544249.db2.gz UEJMQDVWPRATHV-JGVFFNPUSA-N 1 2 272.242 0.530 20 30 CCEDLO Cc1nccnc1C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001390747892 910647348 /nfs/dbraw/zinc/64/73/48/910647348.db2.gz WQYHJBKRNGICJG-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO Cc1nccnc1C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001390747892 910647353 /nfs/dbraw/zinc/64/73/53/910647353.db2.gz WQYHJBKRNGICJG-UHFFFAOYSA-N 1 2 298.350 0.847 20 30 CCEDLO C=CCCC(=O)N(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492807859 911294056 /nfs/dbraw/zinc/29/40/56/911294056.db2.gz NEGVKQKQEHCJQB-UHFFFAOYSA-N 1 2 278.356 0.883 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001321843218 911521714 /nfs/dbraw/zinc/52/17/14/911521714.db2.gz MVALCXXMUGSXIA-NSHDSACASA-N 1 2 293.371 0.389 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CCOCC(C)C ZINC001323181942 912159730 /nfs/dbraw/zinc/15/97/30/912159730.db2.gz NMUBNMPGPPRHQM-HNNXBMFYSA-N 1 2 296.411 0.889 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CCOCC(C)C ZINC001323181942 912159733 /nfs/dbraw/zinc/15/97/33/912159733.db2.gz NMUBNMPGPPRHQM-HNNXBMFYSA-N 1 2 296.411 0.889 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001323200568 912177441 /nfs/dbraw/zinc/17/74/41/912177441.db2.gz WJIVEJHJDBAYFS-ZDUSSCGKSA-N 1 2 266.341 0.029 20 30 CCEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001323200568 912177447 /nfs/dbraw/zinc/17/74/47/912177447.db2.gz WJIVEJHJDBAYFS-ZDUSSCGKSA-N 1 2 266.341 0.029 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC1(O)CCC1 ZINC001323232167 912208434 /nfs/dbraw/zinc/20/84/34/912208434.db2.gz OCSSUSURBHCBDH-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC1(O)CCC1 ZINC001323232167 912208448 /nfs/dbraw/zinc/20/84/48/912208448.db2.gz OCSSUSURBHCBDH-ZDUSSCGKSA-N 1 2 280.368 0.132 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001328101207 914969543 /nfs/dbraw/zinc/96/95/43/914969543.db2.gz DJQGKZACJKRPBZ-ZDUSSCGKSA-N 1 2 289.383 0.587 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CCc2cnn[nH]2)C(C)(C)C1 ZINC001328101207 914969557 /nfs/dbraw/zinc/96/95/57/914969557.db2.gz DJQGKZACJKRPBZ-ZDUSSCGKSA-N 1 2 289.383 0.587 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OC)n(C)n1 ZINC001399506529 915209166 /nfs/dbraw/zinc/20/91/66/915209166.db2.gz LFIRHWFMFZZVEZ-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OC)n(C)n1 ZINC001399506529 915209177 /nfs/dbraw/zinc/20/91/77/915209177.db2.gz LFIRHWFMFZZVEZ-UHFFFAOYSA-N 1 2 286.763 0.843 20 30 CCEDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC001328472061 915220702 /nfs/dbraw/zinc/22/07/02/915220702.db2.gz KSNHRTNQEMUIQE-CYBMUJFWSA-N 1 2 269.308 0.608 20 30 CCEDLO CCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001399910065 915438066 /nfs/dbraw/zinc/43/80/66/915438066.db2.gz YYXVZTUBLPGBML-NWDGAFQWSA-N 1 2 290.371 0.396 20 30 CCEDLO CCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001399910065 915438071 /nfs/dbraw/zinc/43/80/71/915438071.db2.gz YYXVZTUBLPGBML-NWDGAFQWSA-N 1 2 290.371 0.396 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2cc(OC)no2)C1 ZINC001329651480 916099543 /nfs/dbraw/zinc/09/95/43/916099543.db2.gz GOELXNCAURYTDS-UHFFFAOYSA-N 1 2 295.339 0.426 20 30 CCEDLO C=C(C)COCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001329667156 916107326 /nfs/dbraw/zinc/10/73/26/916107326.db2.gz ZEZFKQJUHIYDOJ-UHFFFAOYSA-N 1 2 294.355 0.098 20 30 CCEDLO CCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001401202612 916111099 /nfs/dbraw/zinc/11/10/99/916111099.db2.gz NJDKQPPABNKCOL-VHSXEESVSA-N 1 2 279.344 0.728 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC001401360181 916201806 /nfs/dbraw/zinc/20/18/06/916201806.db2.gz SPNWNHSSIGUGBJ-LBPRGKRZSA-N 1 2 296.415 0.699 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NCC(C)(C)C ZINC001401360181 916201789 /nfs/dbraw/zinc/20/17/89/916201789.db2.gz SPNWNHSSIGUGBJ-LBPRGKRZSA-N 1 2 296.415 0.699 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)OCC)C1 ZINC001329968929 916320858 /nfs/dbraw/zinc/32/08/58/916320858.db2.gz KVTSMSFNMJYPOR-RYUDHWBXSA-N 1 2 297.399 0.150 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001329996403 916344934 /nfs/dbraw/zinc/34/49/34/916344934.db2.gz CHXCOQRBAOIMCU-WDEREUQCSA-N 1 2 279.384 0.346 20 30 CCEDLO CC(C)COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001402010733 916748666 /nfs/dbraw/zinc/74/86/66/916748666.db2.gz NNDWFSSNLUAFCX-GXTWGEPZSA-N 1 2 297.399 0.322 20 30 CCEDLO N#CC[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001330822258 916897648 /nfs/dbraw/zinc/89/76/48/916897648.db2.gz ISZCEJOYOYTSPG-GFCCVEGCSA-N 1 2 289.339 0.152 20 30 CCEDLO C[C@@H](CN(C)C(=O)CSCC#N)[NH2+]Cc1csnn1 ZINC001331390145 917299143 /nfs/dbraw/zinc/29/91/43/917299143.db2.gz STFGKSYHAUVNJY-VIFPVBQESA-N 1 2 299.425 0.731 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001402871121 917310095 /nfs/dbraw/zinc/31/00/95/917310095.db2.gz SNJCAMSXYPTMNW-QMMMGPOBSA-N 1 2 288.311 0.486 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001331683910 917509669 /nfs/dbraw/zinc/50/96/69/917509669.db2.gz MLYXPAFITLLBEB-JTQLQIEISA-N 1 2 269.370 0.676 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)C1 ZINC001332125606 917883062 /nfs/dbraw/zinc/88/30/62/917883062.db2.gz JZRXAOKRDFFFEW-VWYCJHECSA-N 1 2 254.330 0.738 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC001332992627 918584545 /nfs/dbraw/zinc/58/45/45/918584545.db2.gz INGFYKABECONEL-SNVBAGLBSA-N 1 2 286.353 0.704 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)o2)C1 ZINC001332992627 918584558 /nfs/dbraw/zinc/58/45/58/918584558.db2.gz INGFYKABECONEL-SNVBAGLBSA-N 1 2 286.353 0.704 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCn2nccc21 ZINC001333183711 918714748 /nfs/dbraw/zinc/71/47/48/918714748.db2.gz JRUANHJFPJHGOV-QWRGUYRKSA-N 1 2 292.339 0.281 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001333279676 918770525 /nfs/dbraw/zinc/77/05/25/918770525.db2.gz NLCRDKMJQZJYSL-WJTVCTBASA-N 1 2 280.368 0.841 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001407057465 919592339 /nfs/dbraw/zinc/59/23/39/919592339.db2.gz JJOXJVLJTUMQDA-LBPRGKRZSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001407709560 919858694 /nfs/dbraw/zinc/85/86/94/919858694.db2.gz AGMKSCHVPVZKHW-JOYOIKCWSA-N 1 2 289.339 0.123 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCO[C@](C)(C#N)C1 ZINC001335162948 919991512 /nfs/dbraw/zinc/99/15/12/919991512.db2.gz QXYDRJBYZZJQOM-CYBMUJFWSA-N 1 2 262.313 0.494 20 30 CCEDLO N#CCCCCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001340830501 922232102 /nfs/dbraw/zinc/23/21/02/922232102.db2.gz HZJONRMKEPQTKN-UHFFFAOYSA-N 1 2 291.355 0.590 20 30 CCEDLO C=C(C)C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(=O)OC ZINC001340895981 922265138 /nfs/dbraw/zinc/26/51/38/922265138.db2.gz LNYFJZNIVDPPDU-SFYZADRCSA-N 1 2 264.272 0.593 20 30 CCEDLO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1nnc[nH]1 ZINC001418732235 922394645 /nfs/dbraw/zinc/39/46/45/922394645.db2.gz PZHQLTIVRJBBRQ-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1nnc[nH]1 ZINC001418732235 922394675 /nfs/dbraw/zinc/39/46/75/922394675.db2.gz PZHQLTIVRJBBRQ-UHFFFAOYSA-N 1 2 271.752 0.999 20 30 CCEDLO N#CC1(C(=O)N2CCc3cc[nH+]c(N)c3C2)CCOCC1 ZINC001418842959 922448256 /nfs/dbraw/zinc/44/82/56/922448256.db2.gz MNEALBSAAXSJQK-UHFFFAOYSA-N 1 2 286.335 0.869 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCn2cncn2)C1 ZINC001419038554 922592973 /nfs/dbraw/zinc/59/29/73/922592973.db2.gz HAVZRBARWMXYDV-UHFFFAOYSA-N 1 2 297.790 0.859 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001342563910 923004017 /nfs/dbraw/zinc/00/40/17/923004017.db2.gz YWMONEHYAQTTSG-SMDDNHRTSA-N 1 2 277.372 0.279 20 30 CCEDLO C#CCN(C)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001342563910 923004036 /nfs/dbraw/zinc/00/40/36/923004036.db2.gz YWMONEHYAQTTSG-SMDDNHRTSA-N 1 2 277.372 0.279 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001419968918 923197328 /nfs/dbraw/zinc/19/73/28/923197328.db2.gz YDYFYGMGSBVUQO-UHFFFAOYSA-N 1 2 285.779 0.798 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001419968918 923197338 /nfs/dbraw/zinc/19/73/38/923197338.db2.gz YDYFYGMGSBVUQO-UHFFFAOYSA-N 1 2 285.779 0.798 20 30 CCEDLO Cn1nccc1C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001420211815 923418713 /nfs/dbraw/zinc/41/87/13/923418713.db2.gz FLCMHEFTHMKDGH-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO Cn1nccc1C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001420211815 923418719 /nfs/dbraw/zinc/41/87/19/923418719.db2.gz FLCMHEFTHMKDGH-UHFFFAOYSA-N 1 2 286.339 0.482 20 30 CCEDLO C=CCOC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC001344464242 923609340 /nfs/dbraw/zinc/60/93/40/923609340.db2.gz IMITZKJGHGFXFT-QWRGUYRKSA-N 1 2 281.312 0.305 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001420640366 923841949 /nfs/dbraw/zinc/84/19/49/923841949.db2.gz MOGPJSRPOBNASG-SNVBAGLBSA-N 1 2 286.767 0.252 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001420640366 923841958 /nfs/dbraw/zinc/84/19/58/923841958.db2.gz MOGPJSRPOBNASG-SNVBAGLBSA-N 1 2 286.767 0.252 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC#N ZINC001347360728 924431176 /nfs/dbraw/zinc/43/11/76/924431176.db2.gz GHMJZZBXQFWZJN-LLVKDONJSA-N 1 2 277.328 0.123 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC#N ZINC001347360728 924431181 /nfs/dbraw/zinc/43/11/81/924431181.db2.gz GHMJZZBXQFWZJN-LLVKDONJSA-N 1 2 277.328 0.123 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001479947803 924903237 /nfs/dbraw/zinc/90/32/37/924903237.db2.gz KSSAOXMKHZSYJU-MWLCHTKSSA-N 1 2 262.313 0.833 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)on1 ZINC001479947803 924903246 /nfs/dbraw/zinc/90/32/46/924903246.db2.gz KSSAOXMKHZSYJU-MWLCHTKSSA-N 1 2 262.313 0.833 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001350314792 925169075 /nfs/dbraw/zinc/16/90/75/925169075.db2.gz HTVSWEGBIUJDRZ-VIFPVBQESA-N 1 2 286.282 0.394 20 30 CCEDLO C=CCC(F)(F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001350314792 925169081 /nfs/dbraw/zinc/16/90/81/925169081.db2.gz HTVSWEGBIUJDRZ-VIFPVBQESA-N 1 2 286.282 0.394 20 30 CCEDLO C#CCn1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001351142555 925370959 /nfs/dbraw/zinc/37/09/59/925370959.db2.gz RGGSLTURCMUXHG-CYBMUJFWSA-N 1 2 283.335 0.592 20 30 CCEDLO C=C(C)[C@H](CO)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001352119894 925527134 /nfs/dbraw/zinc/52/71/34/925527134.db2.gz HELNHUPNUWJUHV-ZDUSSCGKSA-N 1 2 266.345 0.344 20 30 CCEDLO C#CC1(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CCCC1 ZINC001352221646 925544778 /nfs/dbraw/zinc/54/47/78/925544778.db2.gz YEIVLGNTVTXPDG-CQSZACIVSA-N 1 2 292.427 0.868 20 30 CCEDLO C=C(CC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001352465833 925581645 /nfs/dbraw/zinc/58/16/45/925581645.db2.gz PNISOJNGCRJALC-HNNXBMFYSA-N 1 2 282.384 0.685 20 30 CCEDLO C=C(CC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001352465833 925581651 /nfs/dbraw/zinc/58/16/51/925581651.db2.gz PNISOJNGCRJALC-HNNXBMFYSA-N 1 2 282.384 0.685 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)CN(C)CC(F)(F)F ZINC001413964537 926014352 /nfs/dbraw/zinc/01/43/52/926014352.db2.gz NAMWAYYIXNPBFU-LLVKDONJSA-N 1 2 297.321 0.703 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)CN(C)CC(F)(F)F ZINC001413964537 926014362 /nfs/dbraw/zinc/01/43/62/926014362.db2.gz NAMWAYYIXNPBFU-LLVKDONJSA-N 1 2 297.321 0.703 20 30 CCEDLO C#CCN1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C)CC1 ZINC001355370677 926247476 /nfs/dbraw/zinc/24/74/76/926247476.db2.gz UTCFYFDVUJAFSI-CYBMUJFWSA-N 1 2 288.399 0.337 20 30 CCEDLO C#CCN1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2C)CC1 ZINC001355370677 926247483 /nfs/dbraw/zinc/24/74/83/926247483.db2.gz UTCFYFDVUJAFSI-CYBMUJFWSA-N 1 2 288.399 0.337 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001421315659 926667985 /nfs/dbraw/zinc/66/79/85/926667985.db2.gz XOVSBFUPILIZOS-RYUDHWBXSA-N 1 2 290.791 0.933 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](COC)OC)C1 ZINC001421315659 926667995 /nfs/dbraw/zinc/66/79/95/926667995.db2.gz XOVSBFUPILIZOS-RYUDHWBXSA-N 1 2 290.791 0.933 20 30 CCEDLO CC1(C)CNC(=O)[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001414040957 926893174 /nfs/dbraw/zinc/89/31/74/926893174.db2.gz YFJXQCHUPDTIQC-NWDGAFQWSA-N 1 2 286.335 0.199 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)CCOC)CC1 ZINC001422186445 927133353 /nfs/dbraw/zinc/13/33/53/927133353.db2.gz XJOCAZLSNDASIH-UHFFFAOYSA-N 1 2 290.791 0.719 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH2+][C@H](C)c2ncccn2)CC1 ZINC001423201474 927737199 /nfs/dbraw/zinc/73/71/99/927737199.db2.gz SMSCBWBMEOMGDS-GHMZBOCLSA-N 1 2 273.340 0.936 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001424540230 928211602 /nfs/dbraw/zinc/21/16/02/928211602.db2.gz QHSSVGTUJWGIRJ-QWRGUYRKSA-N 1 2 289.339 0.006 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001428126574 929176635 /nfs/dbraw/zinc/17/66/35/929176635.db2.gz GQPHGEIGSLPZDI-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001428126574 929176642 /nfs/dbraw/zinc/17/66/42/929176642.db2.gz GQPHGEIGSLPZDI-PWSUYJOCSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001428126542 929177522 /nfs/dbraw/zinc/17/75/22/929177522.db2.gz GQPHGEIGSLPZDI-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001428126542 929177526 /nfs/dbraw/zinc/17/75/26/929177526.db2.gz GQPHGEIGSLPZDI-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001363459778 929261975 /nfs/dbraw/zinc/26/19/75/929261975.db2.gz UVURBRFDBLZRJA-NSHDSACASA-N 1 2 274.324 0.634 20 30 CCEDLO CCc1[nH]c(CNC(=O)Cc2noc(C)c2C#N)c[nH+]1 ZINC001363630890 929434341 /nfs/dbraw/zinc/43/43/41/929434341.db2.gz MRLRDYXFVVIEMJ-UHFFFAOYSA-N 1 2 273.296 0.999 20 30 CCEDLO CCc1[nH]cc(CNC(=O)Cc2noc(C)c2C#N)[nH+]1 ZINC001363630890 929434345 /nfs/dbraw/zinc/43/43/45/929434345.db2.gz MRLRDYXFVVIEMJ-UHFFFAOYSA-N 1 2 273.296 0.999 20 30 CCEDLO Cn1cnnc1C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC001363798685 929584849 /nfs/dbraw/zinc/58/48/49/929584849.db2.gz UPGQZGXZHZTVKB-LBPRGKRZSA-N 1 2 293.371 0.318 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC001363798685 929584854 /nfs/dbraw/zinc/58/48/54/929584854.db2.gz UPGQZGXZHZTVKB-LBPRGKRZSA-N 1 2 293.371 0.318 20 30 CCEDLO N#Cc1csc(C[NH+]2CCC(Cc3nn[nH]n3)CC2)n1 ZINC001363815735 929606626 /nfs/dbraw/zinc/60/66/26/929606626.db2.gz GTLMKMQRDPBJFV-UHFFFAOYSA-N 1 2 289.368 0.983 20 30 CCEDLO Cc1nnsc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001445687872 930211771 /nfs/dbraw/zinc/21/17/71/930211771.db2.gz NSYMEDMEBPQQOB-DTWKUNHWSA-N 1 2 281.385 0.943 20 30 CCEDLO Cc1nnsc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001445687872 930211774 /nfs/dbraw/zinc/21/17/74/930211774.db2.gz NSYMEDMEBPQQOB-DTWKUNHWSA-N 1 2 281.385 0.943 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001373542511 930240276 /nfs/dbraw/zinc/24/02/76/930240276.db2.gz FQHJHWIUQBLCML-LLVKDONJSA-N 1 2 285.775 0.456 20 30 CCEDLO CCn1nncc1C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001374470771 930519907 /nfs/dbraw/zinc/51/99/07/930519907.db2.gz HONYREJLOVQDHS-LLVKDONJSA-N 1 2 278.360 0.348 20 30 CCEDLO CCn1nncc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001374470771 930519915 /nfs/dbraw/zinc/51/99/15/930519915.db2.gz HONYREJLOVQDHS-LLVKDONJSA-N 1 2 278.360 0.348 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375220647 930822744 /nfs/dbraw/zinc/82/27/44/930822744.db2.gz PTKOADMJKIVXSC-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001449524167 931152092 /nfs/dbraw/zinc/15/20/92/931152092.db2.gz TWKNVSKLCDXTMA-VOMCLLRMSA-N 1 2 289.339 0.054 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001377161303 931413665 /nfs/dbraw/zinc/41/36/65/931413665.db2.gz AVSXOZLAOLTYLJ-JTQLQIEISA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001377161303 931413670 /nfs/dbraw/zinc/41/36/70/931413670.db2.gz AVSXOZLAOLTYLJ-JTQLQIEISA-N 1 2 273.764 0.265 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCCC#N)C1 ZINC000599581222 361753766 /nfs/dbraw/zinc/75/37/66/361753766.db2.gz DXNYAUIQSNDZAB-QWRGUYRKSA-N 1 2 268.313 0.717 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCCC#N)C1 ZINC000599581222 361753768 /nfs/dbraw/zinc/75/37/68/361753768.db2.gz DXNYAUIQSNDZAB-QWRGUYRKSA-N 1 2 268.313 0.717 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599589449 361755060 /nfs/dbraw/zinc/75/50/60/361755060.db2.gz ZFKNNYMGKJAKBC-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599589449 361755062 /nfs/dbraw/zinc/75/50/62/361755062.db2.gz ZFKNNYMGKJAKBC-GHMZBOCLSA-N 1 2 255.314 0.989 20 30 CCEDLO N#Cc1c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cn2ccccc12 ZINC000093092064 349524140 /nfs/dbraw/zinc/52/41/40/349524140.db2.gz VWIUPGPUSUGWGE-OKILXGFUSA-N 1 2 257.293 0.348 20 30 CCEDLO N#Cc1c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cn2ccccc12 ZINC000093092064 349524145 /nfs/dbraw/zinc/52/41/45/349524145.db2.gz VWIUPGPUSUGWGE-OKILXGFUSA-N 1 2 257.293 0.348 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000294964308 199272805 /nfs/dbraw/zinc/27/28/05/199272805.db2.gz NMOLKJUSZMXBRK-LLVKDONJSA-N 1 2 257.293 0.989 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#N)[C@H](CC)CN1C(C)=O ZINC000350477815 529384402 /nfs/dbraw/zinc/38/44/02/529384402.db2.gz MHGYCGFWHMTIHB-CHWSQXEVSA-N 1 2 280.372 0.347 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#N)[C@H](CC)CN1C(C)=O ZINC000350477815 529384405 /nfs/dbraw/zinc/38/44/05/529384405.db2.gz MHGYCGFWHMTIHB-CHWSQXEVSA-N 1 2 280.372 0.347 20 30 CCEDLO C=CCOC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC000600152511 361877454 /nfs/dbraw/zinc/87/74/54/361877454.db2.gz BOXVZNOPQOWJPW-LLVKDONJSA-N 1 2 267.329 0.860 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000600417749 361955944 /nfs/dbraw/zinc/95/59/44/361955944.db2.gz ASZGVNWOGOYYBV-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000600417749 361955950 /nfs/dbraw/zinc/95/59/50/361955950.db2.gz ASZGVNWOGOYYBV-GFCCVEGCSA-N 1 2 260.297 0.014 20 30 CCEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)nc(C3CC3)n2)CCO1 ZINC000601111896 362150463 /nfs/dbraw/zinc/15/04/63/362150463.db2.gz ZLECNLJECQMWKL-NSHDSACASA-N 1 2 287.367 0.780 20 30 CCEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)nc(C3CC3)n2)CCO1 ZINC000601111896 362150467 /nfs/dbraw/zinc/15/04/67/362150467.db2.gz ZLECNLJECQMWKL-NSHDSACASA-N 1 2 287.367 0.780 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC000332231642 529791026 /nfs/dbraw/zinc/79/10/26/529791026.db2.gz MGXJWPUTDTUDAK-GJZGRUSLSA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H]21 ZINC000332231642 529791027 /nfs/dbraw/zinc/79/10/27/529791027.db2.gz MGXJWPUTDTUDAK-GJZGRUSLSA-N 1 2 285.347 0.908 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000115315810 349851844 /nfs/dbraw/zinc/85/18/44/349851844.db2.gz FZMBNXIDAGPRRB-UHFFFAOYSA-N 1 2 260.297 0.015 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000049000851 260203038 /nfs/dbraw/zinc/20/30/38/260203038.db2.gz QPORLLVYJHKVJZ-UWVGGRQHSA-N 1 2 252.318 0.478 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000049000851 260203040 /nfs/dbraw/zinc/20/30/40/260203040.db2.gz QPORLLVYJHKVJZ-UWVGGRQHSA-N 1 2 252.318 0.478 20 30 CCEDLO C[C@H](C#N)N(C1CC1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601463043 362280325 /nfs/dbraw/zinc/28/03/25/362280325.db2.gz GELMELITCGIBGJ-ZYHUDNBSSA-N 1 2 287.385 0.023 20 30 CCEDLO C[C@H](C#N)N(C1CC1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601463043 362280329 /nfs/dbraw/zinc/28/03/29/362280329.db2.gz GELMELITCGIBGJ-ZYHUDNBSSA-N 1 2 287.385 0.023 20 30 CCEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1ccc(C#N)cc1 ZINC000601741847 362375417 /nfs/dbraw/zinc/37/54/17/362375417.db2.gz ZISNJAIFVHRBIG-OAHLLOKOSA-N 1 2 287.363 0.890 20 30 CCEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccc(C#N)cc1 ZINC000601741847 362375418 /nfs/dbraw/zinc/37/54/18/362375418.db2.gz ZISNJAIFVHRBIG-OAHLLOKOSA-N 1 2 287.363 0.890 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601806962 362397287 /nfs/dbraw/zinc/39/72/87/362397287.db2.gz GYSIBWKGAMCZRG-STQMWFEESA-N 1 2 294.399 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601806962 362397292 /nfs/dbraw/zinc/39/72/92/362397292.db2.gz GYSIBWKGAMCZRG-STQMWFEESA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnccc1C#N ZINC000358393429 232094352 /nfs/dbraw/zinc/09/43/52/232094352.db2.gz HTDHNAIMTBNMAR-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO C[C@@H](CC(=O)N1CCN(CCC#N)CC1)n1cc[nH+]c1 ZINC000602199656 362553652 /nfs/dbraw/zinc/55/36/52/362553652.db2.gz DDGGQRMAKOSKPR-ZDUSSCGKSA-N 1 2 275.356 0.892 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(CCC#N)CC1 ZINC000602206930 362558794 /nfs/dbraw/zinc/55/87/94/362558794.db2.gz QAAFPDMMYCFUDU-UHFFFAOYSA-N 1 2 275.356 0.411 20 30 CCEDLO COCCCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000602334511 362590191 /nfs/dbraw/zinc/59/01/91/362590191.db2.gz SLLBQPUMQGTZJS-CQSZACIVSA-N 1 2 293.371 0.493 20 30 CCEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2nccc(C#N)n2)C1 ZINC000295118071 199353779 /nfs/dbraw/zinc/35/37/79/199353779.db2.gz WHCHVABGZMGNTP-AWEZNQCLSA-N 1 2 287.367 0.895 20 30 CCEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2nccc(C#N)n2)C1 ZINC000295118071 199353780 /nfs/dbraw/zinc/35/37/80/199353780.db2.gz WHCHVABGZMGNTP-AWEZNQCLSA-N 1 2 287.367 0.895 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602438499 362617221 /nfs/dbraw/zinc/61/72/21/362617221.db2.gz DHUFXRCJJADHQV-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602438499 362617226 /nfs/dbraw/zinc/61/72/26/362617226.db2.gz DHUFXRCJJADHQV-CYBMUJFWSA-N 1 2 294.380 0.467 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602440351 362619066 /nfs/dbraw/zinc/61/90/66/362619066.db2.gz IWVZHRRVPIDCKX-UHFFFAOYSA-N 1 2 287.367 0.207 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000602452640 362624741 /nfs/dbraw/zinc/62/47/41/362624741.db2.gz FIFOHHQLTCEXIJ-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000602452640 362624747 /nfs/dbraw/zinc/62/47/47/362624747.db2.gz FIFOHHQLTCEXIJ-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO C[C@H](C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)CS(C)(=O)=O ZINC000602864855 362848618 /nfs/dbraw/zinc/84/86/18/362848618.db2.gz QWEFTNCPVMSNJC-AGIUHOORSA-N 1 2 287.429 0.585 20 30 CCEDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(C#N)n1 ZINC000342478338 137096568 /nfs/dbraw/zinc/09/65/68/137096568.db2.gz JHIOUFHHBONFSL-UHFFFAOYSA-N 1 2 287.367 0.648 20 30 CCEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000602864784 362849750 /nfs/dbraw/zinc/84/97/50/362849750.db2.gz JOKHUCBUXBHGRM-NEPJUHHUSA-N 1 2 260.345 0.615 20 30 CCEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](CCO)CC3)CC2)c1 ZINC000343123478 137116874 /nfs/dbraw/zinc/11/68/74/137116874.db2.gz LGDYTFOUQYEEGQ-UHFFFAOYSA-N 1 2 299.374 0.726 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000339362008 215120989 /nfs/dbraw/zinc/12/09/89/215120989.db2.gz NGTGVZPPUPJFGD-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000339362008 215120992 /nfs/dbraw/zinc/12/09/92/215120992.db2.gz NGTGVZPPUPJFGD-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)C2)c1 ZINC000019846916 348071954 /nfs/dbraw/zinc/07/19/54/348071954.db2.gz JBYVJYAFECSNFQ-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)C2)c1 ZINC000019846916 348071957 /nfs/dbraw/zinc/07/19/57/348071957.db2.gz JBYVJYAFECSNFQ-UHFFFAOYSA-N 1 2 272.308 0.319 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000025317940 348090486 /nfs/dbraw/zinc/09/04/86/348090486.db2.gz GJJXZQHHMSXHRV-GFCCVEGCSA-N 1 2 275.356 0.289 20 30 CCEDLO N#Cc1ccc(CS(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000042314966 348274462 /nfs/dbraw/zinc/27/44/62/348274462.db2.gz YULKZGXGZQONQG-UHFFFAOYSA-N 1 2 290.348 0.874 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCOCCC#N ZINC000602941346 362899588 /nfs/dbraw/zinc/89/95/88/362899588.db2.gz LXRFTMGCUIVGBA-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCOCCC#N ZINC000602941346 362899596 /nfs/dbraw/zinc/89/95/96/362899596.db2.gz LXRFTMGCUIVGBA-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO Cc1cc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc[nH+]1 ZINC000602922820 362887815 /nfs/dbraw/zinc/88/78/15/362887815.db2.gz SRWQFCHEPYTOPM-UHFFFAOYSA-N 1 2 287.323 0.402 20 30 CCEDLO C[N@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602976120 362917497 /nfs/dbraw/zinc/91/74/97/362917497.db2.gz LBTJRKXAILGUAP-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602976120 362917503 /nfs/dbraw/zinc/91/75/03/362917503.db2.gz LBTJRKXAILGUAP-AAEUAGOBSA-N 1 2 265.357 0.906 20 30 CCEDLO COCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000047994645 348394777 /nfs/dbraw/zinc/39/47/77/348394777.db2.gz HKFFVHAHJQEWBU-UHFFFAOYSA-N 1 2 273.336 0.849 20 30 CCEDLO CCNC(=O)C[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000049238344 348447071 /nfs/dbraw/zinc/44/70/71/348447071.db2.gz BVEHWKDOKDYXQK-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO CCNC(=O)C[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000049238344 348447075 /nfs/dbraw/zinc/44/70/75/348447075.db2.gz BVEHWKDOKDYXQK-LLVKDONJSA-N 1 2 268.361 0.062 20 30 CCEDLO C#CC[NH+]1CCN(c2cc(CC)nc3ncnn32)CC1 ZINC000051650520 348491742 /nfs/dbraw/zinc/49/17/42/348491742.db2.gz SUVKVRANIMZKKQ-UHFFFAOYSA-N 1 2 270.340 0.442 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(CCC#N)C(C)C ZINC000051855821 348497009 /nfs/dbraw/zinc/49/70/09/348497009.db2.gz PDGDKMYLTNVFHV-UHFFFAOYSA-N 1 2 282.388 0.593 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CCC#N)C(C)C ZINC000051855821 348497011 /nfs/dbraw/zinc/49/70/11/348497011.db2.gz PDGDKMYLTNVFHV-UHFFFAOYSA-N 1 2 282.388 0.593 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N(CC)CC ZINC000053065369 348519933 /nfs/dbraw/zinc/51/99/33/348519933.db2.gz OLNQJNHSFJETIJ-UHFFFAOYSA-N 1 2 281.400 0.987 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N(CC)CC ZINC000053065369 348519935 /nfs/dbraw/zinc/51/99/35/348519935.db2.gz OLNQJNHSFJETIJ-UHFFFAOYSA-N 1 2 281.400 0.987 20 30 CCEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000056510927 348591988 /nfs/dbraw/zinc/59/19/88/348591988.db2.gz SFVHBNAGYCLLEU-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N(C)C ZINC000056510927 348591990 /nfs/dbraw/zinc/59/19/90/348591990.db2.gz SFVHBNAGYCLLEU-HNNXBMFYSA-N 1 2 294.399 0.595 20 30 CCEDLO CN(CC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000068972006 348827775 /nfs/dbraw/zinc/82/77/75/348827775.db2.gz OPCZLHYIHZFYMG-UHFFFAOYSA-N 1 2 292.408 0.848 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603004137 362933903 /nfs/dbraw/zinc/93/39/03/362933903.db2.gz KYDPQCUJBWRLEG-YPMHNXCESA-N 1 2 257.330 0.577 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603004137 362933908 /nfs/dbraw/zinc/93/39/08/362933908.db2.gz KYDPQCUJBWRLEG-YPMHNXCESA-N 1 2 257.330 0.577 20 30 CCEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2ccccc2n1 ZINC000072906769 348937544 /nfs/dbraw/zinc/93/75/44/348937544.db2.gz UTCDJACTTMVPGY-UHFFFAOYSA-N 1 2 251.289 0.763 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000074773802 349005156 /nfs/dbraw/zinc/00/51/56/349005156.db2.gz QRBNRYIFLRVPJQ-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000074773802 349005160 /nfs/dbraw/zinc/00/51/60/349005160.db2.gz QRBNRYIFLRVPJQ-GFCCVEGCSA-N 1 2 295.364 0.167 20 30 CCEDLO N#CCC[N@@H+](CCC(=O)NC(N)=O)Cc1ccco1 ZINC000081517932 260333812 /nfs/dbraw/zinc/33/38/12/260333812.db2.gz VLKGYQISFFACOZ-UHFFFAOYSA-N 1 2 264.285 0.580 20 30 CCEDLO N#CCC[N@H+](CCC(=O)NC(N)=O)Cc1ccco1 ZINC000081517932 260333814 /nfs/dbraw/zinc/33/38/14/260333814.db2.gz VLKGYQISFFACOZ-UHFFFAOYSA-N 1 2 264.285 0.580 20 30 CCEDLO C[N@H+](CC(=O)NC1CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000128364682 350191649 /nfs/dbraw/zinc/19/16/49/350191649.db2.gz SVQLVRGFJJVBJY-UHFFFAOYSA-N 1 2 292.383 0.539 20 30 CCEDLO C[N@@H+](CC(=O)NC1CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000128364682 350191655 /nfs/dbraw/zinc/19/16/55/350191655.db2.gz SVQLVRGFJJVBJY-UHFFFAOYSA-N 1 2 292.383 0.539 20 30 CCEDLO Cn1cc[nH+]c1CN1CCN(c2cnc(C#N)cn2)CC1 ZINC000133353616 350332749 /nfs/dbraw/zinc/33/27/49/350332749.db2.gz YNBNYMOPRUMTKA-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#Cc1cc(F)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000135271967 350390091 /nfs/dbraw/zinc/39/00/91/350390091.db2.gz UBNGUDVMKKBXNR-ZDUSSCGKSA-N 1 2 279.315 0.802 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccn1 ZINC000168540214 350828487 /nfs/dbraw/zinc/82/84/87/350828487.db2.gz GWJKSBFVSMLXCX-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccn1 ZINC000168540214 350828491 /nfs/dbraw/zinc/82/84/91/350828491.db2.gz GWJKSBFVSMLXCX-CYBMUJFWSA-N 1 2 256.309 0.760 20 30 CCEDLO CN1CCC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000540902061 290915463 /nfs/dbraw/zinc/91/54/63/290915463.db2.gz ZKIIGWNVUWLIQO-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO C=C[C@@H](C(=O)OC)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603237425 363017426 /nfs/dbraw/zinc/01/74/26/363017426.db2.gz SEOIKRXIVSSUGC-NSHDSACASA-N 1 2 282.369 0.727 20 30 CCEDLO C=C[C@H](C(=O)OC)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603238723 363018705 /nfs/dbraw/zinc/01/87/05/363018705.db2.gz XGURMBHYPKGAJJ-GFCCVEGCSA-N 1 2 280.328 0.053 20 30 CCEDLO Cc1cc(C#N)ccc1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000603234992 363015767 /nfs/dbraw/zinc/01/57/67/363015767.db2.gz HAJGOAAJMSMHRU-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO Cc1cc(C#N)ccc1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000603234992 363015773 /nfs/dbraw/zinc/01/57/73/363015773.db2.gz HAJGOAAJMSMHRU-UHFFFAOYSA-N 1 2 285.351 0.931 20 30 CCEDLO N#C[C@]1(F)CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603316608 363062976 /nfs/dbraw/zinc/06/29/76/363062976.db2.gz FHCIRGNBCDDPIT-SNVBAGLBSA-N 1 2 272.305 0.150 20 30 CCEDLO COCC[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193248333 351817786 /nfs/dbraw/zinc/81/77/86/351817786.db2.gz LHBZQOQPQAAAJN-UHFFFAOYSA-N 1 2 274.324 0.357 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)s1 ZINC000230336845 352112809 /nfs/dbraw/zinc/11/28/09/352112809.db2.gz UFTLYHFOAXFOEM-UHFFFAOYSA-N 1 2 282.350 0.795 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249032277 352472904 /nfs/dbraw/zinc/47/29/04/352472904.db2.gz SQKUGJOVYUKEFT-JSGCOSHPSA-N 1 2 281.356 0.238 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249032277 352472909 /nfs/dbraw/zinc/47/29/09/352472909.db2.gz SQKUGJOVYUKEFT-JSGCOSHPSA-N 1 2 281.356 0.238 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000267242326 352753114 /nfs/dbraw/zinc/75/31/14/352753114.db2.gz FHTPLIIYCVCVIX-HNNXBMFYSA-N 1 2 287.363 0.545 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000267242326 352753119 /nfs/dbraw/zinc/75/31/19/352753119.db2.gz FHTPLIIYCVCVIX-HNNXBMFYSA-N 1 2 287.363 0.545 20 30 CCEDLO N#Cc1c(NCC[NH+]2CCOCC2)nc2ccccn21 ZINC000272957976 353109434 /nfs/dbraw/zinc/10/94/34/353109434.db2.gz ZCYFFDDTTJILAR-UHFFFAOYSA-N 1 2 271.324 0.950 20 30 CCEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000274306761 353118958 /nfs/dbraw/zinc/11/89/58/353118958.db2.gz VYBZCHXKKSMJRY-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C#CCC(CC#C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000277751720 353263424 /nfs/dbraw/zinc/26/34/24/353263424.db2.gz RPVXULDRZNDZPS-CQSZACIVSA-N 1 2 275.396 0.401 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)[N@H+]1C ZINC000157017029 188292558 /nfs/dbraw/zinc/29/25/58/188292558.db2.gz CVBQOKANQHXZKF-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)[N@@H+]1C ZINC000157017029 188292559 /nfs/dbraw/zinc/29/25/59/188292559.db2.gz CVBQOKANQHXZKF-PHIMTYICSA-N 1 2 294.380 0.666 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295463867 353896391 /nfs/dbraw/zinc/89/63/91/353896391.db2.gz FTAXZCYQCIKLDH-ZDUSSCGKSA-N 1 2 275.308 0.190 20 30 CCEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295463867 353896393 /nfs/dbraw/zinc/89/63/93/353896393.db2.gz FTAXZCYQCIKLDH-ZDUSSCGKSA-N 1 2 275.308 0.190 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC)CC1 ZINC000299074878 353988430 /nfs/dbraw/zinc/98/84/30/353988430.db2.gz QFKLCQOHWHBCSF-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC)CC1 ZINC000299074878 353988434 /nfs/dbraw/zinc/98/84/34/353988434.db2.gz QFKLCQOHWHBCSF-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO C[C@@H](Nc1nccnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000301203607 354072045 /nfs/dbraw/zinc/07/20/45/354072045.db2.gz QOQUEKCLXSLOJP-MNOVXSKESA-N 1 2 261.329 0.869 20 30 CCEDLO C#CC[N@@H+](C[C@H](O)CCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000305098417 354129465 /nfs/dbraw/zinc/12/94/65/354129465.db2.gz WTWGOJRNWWKWTM-CHWSQXEVSA-N 1 2 271.382 0.436 20 30 CCEDLO C#CC[N@H+](C[C@H](O)CCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000305098417 354129468 /nfs/dbraw/zinc/12/94/68/354129468.db2.gz WTWGOJRNWWKWTM-CHWSQXEVSA-N 1 2 271.382 0.436 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329725416 354259603 /nfs/dbraw/zinc/25/96/03/354259603.db2.gz GGNJEYFXXFXFSS-VIFPVBQESA-N 1 2 264.329 0.902 20 30 CCEDLO COC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329725416 354259606 /nfs/dbraw/zinc/25/96/06/354259606.db2.gz GGNJEYFXXFXFSS-VIFPVBQESA-N 1 2 264.329 0.902 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330231651 354309979 /nfs/dbraw/zinc/30/99/79/354309979.db2.gz XAAHWCHPZXMGHY-GXSJLCMTSA-N 1 2 272.370 0.757 20 30 CCEDLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330231651 354309982 /nfs/dbraw/zinc/30/99/82/354309982.db2.gz XAAHWCHPZXMGHY-GXSJLCMTSA-N 1 2 272.370 0.757 20 30 CCEDLO N#Cc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000331075692 354440693 /nfs/dbraw/zinc/44/06/93/354440693.db2.gz VNFYRKLYPDTGEN-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000335936157 355052120 /nfs/dbraw/zinc/05/21/20/355052120.db2.gz YWVKLIIGIFYURP-LBPRGKRZSA-N 1 2 262.288 0.940 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000335936157 355052122 /nfs/dbraw/zinc/05/21/22/355052122.db2.gz YWVKLIIGIFYURP-LBPRGKRZSA-N 1 2 262.288 0.940 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](COCC3CC3)C2)C1=O ZINC000337182583 355279811 /nfs/dbraw/zinc/27/98/11/355279811.db2.gz BJLZBOQGGKGTJQ-HUUCEWRRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](COCC3CC3)C2)C1=O ZINC000337182583 355279814 /nfs/dbraw/zinc/27/98/14/355279814.db2.gz BJLZBOQGGKGTJQ-HUUCEWRRSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000337213722 355284954 /nfs/dbraw/zinc/28/49/54/355284954.db2.gz WORWUWHYRDMIQO-TZMCWYRMSA-N 1 2 266.341 0.265 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@]3(CCOC3)C2)C1=O ZINC000337213722 355284957 /nfs/dbraw/zinc/28/49/57/355284957.db2.gz WORWUWHYRDMIQO-TZMCWYRMSA-N 1 2 266.341 0.265 20 30 CCEDLO N#Cc1cccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000339219826 355501898 /nfs/dbraw/zinc/50/18/98/355501898.db2.gz UYTVBOYRXTUIJF-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1CCNC1=O ZINC000340225364 355530293 /nfs/dbraw/zinc/53/02/93/355530293.db2.gz HNWOVDXNMDIGRL-GXFFZTMASA-N 1 2 286.335 0.706 20 30 CCEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225364 355530295 /nfs/dbraw/zinc/53/02/95/355530295.db2.gz HNWOVDXNMDIGRL-GXFFZTMASA-N 1 2 286.335 0.706 20 30 CCEDLO CCS(=O)(=O)N(C)CCCNc1cc(C)[nH+]cc1C#N ZINC000425211069 235273834 /nfs/dbraw/zinc/27/38/34/235273834.db2.gz WKEZUIUUEBICDM-UHFFFAOYSA-N 1 2 296.396 0.767 20 30 CCEDLO Cc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c[nH+]1 ZINC000425237341 235275285 /nfs/dbraw/zinc/27/52/85/235275285.db2.gz RVEXPUKUWIGCFX-LLVKDONJSA-N 1 2 256.309 0.859 20 30 CCEDLO C[C@H]1C(=O)N(C)CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000342773030 355743240 /nfs/dbraw/zinc/74/32/40/355743240.db2.gz GIRXCGRZINWCAF-NSHDSACASA-N 1 2 283.335 0.868 20 30 CCEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC(=O)NCC#N ZINC000343525899 355773410 /nfs/dbraw/zinc/77/34/10/355773410.db2.gz OUSPFVMTPYICIC-UHFFFAOYSA-N 1 2 299.334 0.355 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3COC[C@H]3O)CCO2)c1 ZINC000361354693 138031692 /nfs/dbraw/zinc/03/16/92/138031692.db2.gz LEYSRTWJKFSBRN-KFWWJZLASA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3COC[C@H]3O)CCO2)c1 ZINC000361354693 138031693 /nfs/dbraw/zinc/03/16/93/138031693.db2.gz LEYSRTWJKFSBRN-KFWWJZLASA-N 1 2 274.320 0.691 20 30 CCEDLO N#Cc1ccncc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354337503 356393124 /nfs/dbraw/zinc/39/31/24/356393124.db2.gz AJNQKOHZQLSKCB-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC000273729662 192281375 /nfs/dbraw/zinc/28/13/75/192281375.db2.gz SYMYMQFSJYGCCY-UHFFFAOYSA-N 1 2 275.308 0.160 20 30 CCEDLO N#CCc1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000619493241 366266365 /nfs/dbraw/zinc/26/63/65/366266365.db2.gz PRAGPHKKNQZGIA-UHFFFAOYSA-N 1 2 279.365 0.737 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000609449840 363496487 /nfs/dbraw/zinc/49/64/87/363496487.db2.gz OICSAIPWZLLIST-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000609449840 363496493 /nfs/dbraw/zinc/49/64/93/363496493.db2.gz OICSAIPWZLLIST-GFCCVEGCSA-N 1 2 281.356 0.144 20 30 CCEDLO CC[C@@H](C(N)=O)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485419 363498585 /nfs/dbraw/zinc/49/85/85/363498585.db2.gz PURGTHCIZKVIMJ-NWDGAFQWSA-N 1 2 252.362 0.416 20 30 CCEDLO C[N@@H+]1CCCC[C@@H]1C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000609991806 363531140 /nfs/dbraw/zinc/53/11/40/363531140.db2.gz URHBCFXEHPSPOC-LLVKDONJSA-N 1 2 261.329 0.641 20 30 CCEDLO C[N@H+]1CCCC[C@@H]1C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000609991806 363531145 /nfs/dbraw/zinc/53/11/45/363531145.db2.gz URHBCFXEHPSPOC-LLVKDONJSA-N 1 2 261.329 0.641 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)COc1ccccc1C#N ZINC000355244668 356616942 /nfs/dbraw/zinc/61/69/42/356616942.db2.gz ASNIPWPYXIYVIL-UHFFFAOYSA-N 1 2 270.292 0.987 20 30 CCEDLO C=C[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)C(=O)OC ZINC000619700535 366324259 /nfs/dbraw/zinc/32/42/59/366324259.db2.gz AUMTYQXUONRXAN-VQXHTEKXSA-N 1 2 254.330 0.608 20 30 CCEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)OC ZINC000619702486 366326528 /nfs/dbraw/zinc/32/65/28/366326528.db2.gz NOXJYOUCRDQLJU-BFVZDQMLSA-N 1 2 295.339 0.024 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]1C ZINC000619712595 366331647 /nfs/dbraw/zinc/33/16/47/366331647.db2.gz ICLJTXVBRBPICF-NWDGAFQWSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]1C ZINC000619712595 366331651 /nfs/dbraw/zinc/33/16/51/366331651.db2.gz ICLJTXVBRBPICF-NWDGAFQWSA-N 1 2 288.417 0.349 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883265 366368224 /nfs/dbraw/zinc/36/82/24/366368224.db2.gz BJUXEKFYYAGSOQ-INIZCTEOSA-N 1 2 296.411 0.884 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610528027 363572850 /nfs/dbraw/zinc/57/28/50/363572850.db2.gz HSFAFLQPPSNYLB-SECBINFHSA-N 1 2 273.300 0.120 20 30 CCEDLO Cn1nnnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366407078 357202317 /nfs/dbraw/zinc/20/23/17/357202317.db2.gz RVQNNMYBOIYBPS-LLVKDONJSA-N 1 2 285.311 0.130 20 30 CCEDLO Cn1nnnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366407078 357202319 /nfs/dbraw/zinc/20/23/19/357202319.db2.gz RVQNNMYBOIYBPS-LLVKDONJSA-N 1 2 285.311 0.130 20 30 CCEDLO CN(C)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000401868123 357806953 /nfs/dbraw/zinc/80/69/53/357806953.db2.gz UQAMXXUTOGKBEX-UHFFFAOYSA-N 1 2 250.346 0.979 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408442843 358097035 /nfs/dbraw/zinc/09/70/35/358097035.db2.gz NHRYCMVPFJXIOH-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000408442843 358097037 /nfs/dbraw/zinc/09/70/37/358097037.db2.gz NHRYCMVPFJXIOH-TXEJJXNPSA-N 1 2 252.701 0.749 20 30 CCEDLO C#C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC000491192517 358292336 /nfs/dbraw/zinc/29/23/36/358292336.db2.gz PHZKSQCDLIQMHK-LBPRGKRZSA-N 1 2 252.358 0.871 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000294844643 199210082 /nfs/dbraw/zinc/21/00/82/199210082.db2.gz FEDSUAKDPNFLNA-UHFFFAOYSA-N 1 2 267.373 0.607 20 30 CCEDLO C[C@@H](C(=O)N1CCC(CC#N)CC1)[NH+]1CCN(C)CC1 ZINC000543840637 358548401 /nfs/dbraw/zinc/54/84/01/358548401.db2.gz XBDUPLNTBFKYJK-ZDUSSCGKSA-N 1 2 278.400 0.775 20 30 CCEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000571774707 358925630 /nfs/dbraw/zinc/92/56/30/358925630.db2.gz QNGJVTHOYSQAOH-NSHDSACASA-N 1 2 280.372 0.347 20 30 CCEDLO COC(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000573095076 358937631 /nfs/dbraw/zinc/93/76/31/358937631.db2.gz WCMVHVKAKFAXAV-ZDUSSCGKSA-N 1 2 279.296 0.640 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000576307857 359046410 /nfs/dbraw/zinc/04/64/10/359046410.db2.gz OXUHQZLKOACGBU-OLZOCXBDSA-N 1 2 282.384 0.805 20 30 CCEDLO COCCN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000610987180 363641046 /nfs/dbraw/zinc/64/10/46/363641046.db2.gz UPRUBFAGDWIOOS-GFCCVEGCSA-N 1 2 276.340 0.834 20 30 CCEDLO Cc1cc(C#N)nc(NC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000587802854 359301615 /nfs/dbraw/zinc/30/16/15/359301615.db2.gz AWOTZEXGFUMAEL-LBPRGKRZSA-N 1 2 274.372 0.126 20 30 CCEDLO CN1CCO[C@H]2C[N@H+](Cc3ccnc(C#N)c3)C[C@H]21 ZINC000610993789 363644110 /nfs/dbraw/zinc/64/41/10/363644110.db2.gz AWZNSGGTAGMMQT-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccnc(C#N)c3)C[C@H]21 ZINC000610993789 363644116 /nfs/dbraw/zinc/64/41/16/363644116.db2.gz AWZNSGGTAGMMQT-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccnc(C#N)c3)C[C@H]21 ZINC000610993789 363644118 /nfs/dbraw/zinc/64/41/18/363644118.db2.gz AWZNSGGTAGMMQT-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccnc(C#N)c3)C[C@H]21 ZINC000610993789 363644122 /nfs/dbraw/zinc/64/41/22/363644122.db2.gz AWZNSGGTAGMMQT-KGLIPLIRSA-N 1 2 258.325 0.468 20 30 CCEDLO Cc1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)no1 ZINC000610994855 363645223 /nfs/dbraw/zinc/64/52/23/363645223.db2.gz NYRNHZIKOJTAGM-UHFFFAOYSA-N 1 2 298.350 0.963 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000611003859 363646586 /nfs/dbraw/zinc/64/65/86/363646586.db2.gz QPIZURQRODWZAV-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000611003859 363646590 /nfs/dbraw/zinc/64/65/90/363646590.db2.gz QPIZURQRODWZAV-LBPRGKRZSA-N 1 2 280.353 0.077 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590219403 359430944 /nfs/dbraw/zinc/43/09/44/359430944.db2.gz FGBGBMFNWMJBMU-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CC1 ZINC000590219403 359430950 /nfs/dbraw/zinc/43/09/50/359430950.db2.gz FGBGBMFNWMJBMU-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)c1ccco1 ZINC000589827833 359403211 /nfs/dbraw/zinc/40/32/11/359403211.db2.gz PNOYIDLRKGAWRT-CQSZACIVSA-N 1 2 292.339 0.360 20 30 CCEDLO C=CCCOCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591230496 359571701 /nfs/dbraw/zinc/57/17/01/359571701.db2.gz ZXZMOAGNUJAMEI-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCCOCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591230496 359571704 /nfs/dbraw/zinc/57/17/04/359571704.db2.gz ZXZMOAGNUJAMEI-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO COCC#CC[N@H+](CC(=O)OC)C1CCOCC1 ZINC000611140311 363664428 /nfs/dbraw/zinc/66/44/28/363664428.db2.gz NTMCQGKJTTWGIS-UHFFFAOYSA-N 1 2 255.314 0.290 20 30 CCEDLO COCC#CC[N@@H+](CC(=O)OC)C1CCOCC1 ZINC000611140311 363664429 /nfs/dbraw/zinc/66/44/29/363664429.db2.gz NTMCQGKJTTWGIS-UHFFFAOYSA-N 1 2 255.314 0.290 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148078 359767907 /nfs/dbraw/zinc/76/79/07/359767907.db2.gz QTBKXVPWAWRUQI-RISCZKNCSA-N 1 2 296.371 0.207 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148078 359767912 /nfs/dbraw/zinc/76/79/12/359767912.db2.gz QTBKXVPWAWRUQI-RISCZKNCSA-N 1 2 296.371 0.207 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000592150072 359769309 /nfs/dbraw/zinc/76/93/09/359769309.db2.gz APZSGLQVHBVSLA-ZDUSSCGKSA-N 1 2 261.329 0.539 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000592150072 359769318 /nfs/dbraw/zinc/76/93/18/359769318.db2.gz APZSGLQVHBVSLA-ZDUSSCGKSA-N 1 2 261.329 0.539 20 30 CCEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CCC#N)CC1 ZINC000611173765 363670729 /nfs/dbraw/zinc/67/07/29/363670729.db2.gz JQXSPVHRJRZIQN-GFCCVEGCSA-N 1 2 266.389 0.821 20 30 CCEDLO COc1ccnc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593153131 360047728 /nfs/dbraw/zinc/04/77/28/360047728.db2.gz AWMYZKUZNMLKDD-ZDUSSCGKSA-N 1 2 262.313 0.664 20 30 CCEDLO CC[C@H](C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000593418172 360085052 /nfs/dbraw/zinc/08/50/52/360085052.db2.gz GHXSTJIYCWARCJ-OCCSQVGLSA-N 1 2 297.424 0.860 20 30 CCEDLO N#C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000593453606 360092171 /nfs/dbraw/zinc/09/21/71/360092171.db2.gz ZYUKVOYOCVYHFR-LBPRGKRZSA-N 1 2 274.324 0.513 20 30 CCEDLO C=C[C@H](NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556295 360331062 /nfs/dbraw/zinc/33/10/62/360331062.db2.gz MQNBDDMJRSFVSL-RVMXOQNASA-N 1 2 270.373 0.801 20 30 CCEDLO C=C[C@H](NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000594556295 360331066 /nfs/dbraw/zinc/33/10/66/360331066.db2.gz MQNBDDMJRSFVSL-RVMXOQNASA-N 1 2 270.373 0.801 20 30 CCEDLO COC(=O)c1ccc(-n2c[nH+]c(CCCO)c2)c(C#N)n1 ZINC000594550157 360328956 /nfs/dbraw/zinc/32/89/56/360328956.db2.gz LAFSADPSMPNPJG-UHFFFAOYSA-N 1 2 286.291 0.850 20 30 CCEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661136 360357817 /nfs/dbraw/zinc/35/78/17/360357817.db2.gz VUTNCOYMNYSHAN-VXGBXAGGSA-N 1 2 299.334 0.734 20 30 CCEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000594661136 360357819 /nfs/dbraw/zinc/35/78/19/360357819.db2.gz VUTNCOYMNYSHAN-VXGBXAGGSA-N 1 2 299.334 0.734 20 30 CCEDLO CCN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000595295754 360485354 /nfs/dbraw/zinc/48/53/54/360485354.db2.gz RATQXLIQASPCTR-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552166 360576997 /nfs/dbraw/zinc/57/69/97/360576997.db2.gz PBRBMCLCWXRFIQ-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595552166 360576998 /nfs/dbraw/zinc/57/69/98/360576998.db2.gz PBRBMCLCWXRFIQ-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595502374 360551999 /nfs/dbraw/zinc/55/19/99/360551999.db2.gz RLWPPYACDPFRNF-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO N#Cc1ccncc1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595502374 360552004 /nfs/dbraw/zinc/55/20/04/360552004.db2.gz RLWPPYACDPFRNF-UHFFFAOYSA-N 1 2 283.339 0.436 20 30 CCEDLO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752403 360639305 /nfs/dbraw/zinc/63/93/05/360639305.db2.gz LDDFHGVALIAXMI-WOPDTQHZSA-N 1 2 271.386 0.644 20 30 CCEDLO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1S(C)(=O)=O ZINC000595752403 360639311 /nfs/dbraw/zinc/63/93/11/360639311.db2.gz LDDFHGVALIAXMI-WOPDTQHZSA-N 1 2 271.386 0.644 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819410 360667025 /nfs/dbraw/zinc/66/70/25/360667025.db2.gz NDBFGZJVUVKZQS-OUAUKWLOSA-N 1 2 255.314 0.845 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819410 360667033 /nfs/dbraw/zinc/66/70/33/360667033.db2.gz NDBFGZJVUVKZQS-OUAUKWLOSA-N 1 2 255.314 0.845 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000596112890 360798711 /nfs/dbraw/zinc/79/87/11/360798711.db2.gz IEFRMIYLCSFDSX-LLVKDONJSA-N 1 2 275.356 0.465 20 30 CCEDLO CCc1nc(C#N)cc(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000596112890 360798715 /nfs/dbraw/zinc/79/87/15/360798715.db2.gz IEFRMIYLCSFDSX-LLVKDONJSA-N 1 2 275.356 0.465 20 30 CCEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596549742 360919106 /nfs/dbraw/zinc/91/91/06/360919106.db2.gz KEZSZAOYAXPSGT-MNOVXSKESA-N 1 2 293.371 0.939 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)cc1 ZINC000596657359 360937147 /nfs/dbraw/zinc/93/71/47/360937147.db2.gz RFLJLBBITUTBEJ-AWEZNQCLSA-N 1 2 298.346 0.091 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596553467 360920114 /nfs/dbraw/zinc/92/01/14/360920114.db2.gz YNBDZBWWCZQMHM-GRYCIOLGSA-N 1 2 268.361 0.554 20 30 CCEDLO C[C@H](C#N)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596553467 360920116 /nfs/dbraw/zinc/92/01/16/360920116.db2.gz YNBDZBWWCZQMHM-GRYCIOLGSA-N 1 2 268.361 0.554 20 30 CCEDLO N#Cc1c(F)cc(C(=O)NCC[NH+]2CCOCC2)cc1F ZINC000596626334 360931557 /nfs/dbraw/zinc/93/15/57/360931557.db2.gz GABTUQNWBUBXRF-UHFFFAOYSA-N 1 2 295.289 0.898 20 30 CCEDLO C[C@H](CC#N)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000597160694 361018426 /nfs/dbraw/zinc/01/84/26/361018426.db2.gz DSWXKAQPYPFAKI-UTUOFQBUSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000597728067 361214240 /nfs/dbraw/zinc/21/42/40/361214240.db2.gz LZHNRTBDOQXGQL-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000597728067 361214242 /nfs/dbraw/zinc/21/42/42/361214242.db2.gz LZHNRTBDOQXGQL-UTUOFQBUSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@H](C)CO1 ZINC000598001343 361306758 /nfs/dbraw/zinc/30/67/58/361306758.db2.gz ZKZRNORMLHNENR-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)[C@H](C)CO1 ZINC000598001343 361306763 /nfs/dbraw/zinc/30/67/63/361306763.db2.gz ZKZRNORMLHNENR-GHMZBOCLSA-N 1 2 276.340 0.725 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000598151297 361344759 /nfs/dbraw/zinc/34/47/59/361344759.db2.gz UXHYXCAJRHJCQN-ZDUSSCGKSA-N 1 2 288.351 0.443 20 30 CCEDLO N#Cc1cncnc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000564239389 291271993 /nfs/dbraw/zinc/27/19/93/291271993.db2.gz AHYUDRIZROPDPD-UHFFFAOYSA-N 1 2 296.334 0.614 20 30 CCEDLO CN(C)[C@H](C(=O)N1CC[C@@](C)(C#N)C1)c1c[nH+]cn1C ZINC000598419379 361410010 /nfs/dbraw/zinc/41/00/10/361410010.db2.gz ZQMOUHXDLHPBGV-JSGCOSHPSA-N 1 2 275.356 0.785 20 30 CCEDLO Cc1cccc2[nH+]c(CNC(=O)Cn3cnc(C#N)n3)cn21 ZINC000494964691 238853174 /nfs/dbraw/zinc/85/31/74/238853174.db2.gz RPHIIWJPRGIKTN-UHFFFAOYSA-N 1 2 295.306 0.422 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598607909 361457893 /nfs/dbraw/zinc/45/78/93/361457893.db2.gz OEQJWTUZABRBEB-TUAOUCFPSA-N 1 2 284.356 0.285 20 30 CCEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598607909 361457899 /nfs/dbraw/zinc/45/78/99/361457899.db2.gz OEQJWTUZABRBEB-TUAOUCFPSA-N 1 2 284.356 0.285 20 30 CCEDLO N#Cc1nccnc1NC1CC([NH+]2CCOCC2)C1 ZINC000599094265 361571612 /nfs/dbraw/zinc/57/16/12/361571612.db2.gz FUDCEBYDWWCFRL-UHFFFAOYSA-N 1 2 259.313 0.623 20 30 CCEDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1C#N ZINC000599351423 361664464 /nfs/dbraw/zinc/66/44/64/361664464.db2.gz DWAQKACDSUETRZ-CYBMUJFWSA-N 1 2 287.363 0.892 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386542 361679812 /nfs/dbraw/zinc/67/98/12/361679812.db2.gz OATUVZQPXKHBIL-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599386542 361679818 /nfs/dbraw/zinc/67/98/18/361679818.db2.gz OATUVZQPXKHBIL-UONOGXRCSA-N 1 2 274.320 0.975 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000599363202 361668868 /nfs/dbraw/zinc/66/88/68/361668868.db2.gz VGVLHSBIJPRTMU-DGCLKSJQSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000599363202 361668874 /nfs/dbraw/zinc/66/88/74/361668874.db2.gz VGVLHSBIJPRTMU-DGCLKSJQSA-N 1 2 254.330 0.926 20 30 CCEDLO C[C@@H]1[C@H](C)N(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1C ZINC000612573662 363961286 /nfs/dbraw/zinc/96/12/86/363961286.db2.gz ZTOSRRJITIMWBN-ZJUUUORDSA-N 1 2 276.344 0.270 20 30 CCEDLO C[C@@H]1[C@H](C)N(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1C ZINC000612573662 363961289 /nfs/dbraw/zinc/96/12/89/363961289.db2.gz ZTOSRRJITIMWBN-ZJUUUORDSA-N 1 2 276.344 0.270 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000613499983 364272841 /nfs/dbraw/zinc/27/28/41/364272841.db2.gz LINGNOOXDAQDJW-AWEZNQCLSA-N 1 2 276.340 0.371 20 30 CCEDLO N#Cc1cc(O)cc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000614292977 364564302 /nfs/dbraw/zinc/56/43/02/364564302.db2.gz KUVIUCFPMGEAQE-UHFFFAOYSA-N 1 2 275.308 0.326 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039804 364826167 /nfs/dbraw/zinc/82/61/67/364826167.db2.gz RVSFGWQNNYFSON-CYBMUJFWSA-N 1 2 276.340 0.696 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615539134 364997613 /nfs/dbraw/zinc/99/76/13/364997613.db2.gz FITZOESVWRRWOH-AWEZNQCLSA-N 1 2 298.362 0.744 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615539134 364997615 /nfs/dbraw/zinc/99/76/15/364997615.db2.gz FITZOESVWRRWOH-AWEZNQCLSA-N 1 2 298.362 0.744 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000615635312 365029059 /nfs/dbraw/zinc/02/90/59/365029059.db2.gz PMJURKMPJTZPPR-RWMBFGLXSA-N 1 2 251.326 0.910 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000615635312 365029062 /nfs/dbraw/zinc/02/90/62/365029062.db2.gz PMJURKMPJTZPPR-RWMBFGLXSA-N 1 2 251.326 0.910 20 30 CCEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000615825983 365099490 /nfs/dbraw/zinc/09/94/90/365099490.db2.gz QAJHRZBAYHUCHN-ZDUSSCGKSA-N 1 2 286.270 0.740 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000275885774 193154846 /nfs/dbraw/zinc/15/48/46/193154846.db2.gz REYQDENYBXJAQY-GRYCIOLGSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000275885774 193154848 /nfs/dbraw/zinc/15/48/48/193154848.db2.gz REYQDENYBXJAQY-GRYCIOLGSA-N 1 2 299.371 0.122 20 30 CCEDLO C=CCNC(=O)CN1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628125542 369187520 /nfs/dbraw/zinc/18/75/20/369187520.db2.gz DZHODPZATZAADI-UHFFFAOYSA-N 1 2 291.399 0.446 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330793027 203242820 /nfs/dbraw/zinc/24/28/20/203242820.db2.gz VCZPGFDBTIBAHE-CYBMUJFWSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330793027 203242823 /nfs/dbraw/zinc/24/28/23/203242823.db2.gz VCZPGFDBTIBAHE-CYBMUJFWSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577532 369327849 /nfs/dbraw/zinc/32/78/49/369327849.db2.gz RKXNNTUXHGUYEQ-OAHLLOKOSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577532 369327858 /nfs/dbraw/zinc/32/78/58/369327858.db2.gz RKXNNTUXHGUYEQ-OAHLLOKOSA-N 1 2 282.384 0.685 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CCOCC1 ZINC000628913232 369447960 /nfs/dbraw/zinc/44/79/60/369447960.db2.gz NRJMEFRIERIUCR-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCOCC1 ZINC000628913232 369447965 /nfs/dbraw/zinc/44/79/65/369447965.db2.gz NRJMEFRIERIUCR-ZDUSSCGKSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCOCC1 ZINC000628913231 369448049 /nfs/dbraw/zinc/44/80/49/369448049.db2.gz NRJMEFRIERIUCR-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCOCC1 ZINC000628913231 369448054 /nfs/dbraw/zinc/44/80/54/369448054.db2.gz NRJMEFRIERIUCR-CYBMUJFWSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915611 369454694 /nfs/dbraw/zinc/45/46/94/369454694.db2.gz TULIRBSCAQEKCE-GXTWGEPZSA-N 1 2 270.373 0.662 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915611 369454700 /nfs/dbraw/zinc/45/47/00/369454700.db2.gz TULIRBSCAQEKCE-GXTWGEPZSA-N 1 2 270.373 0.662 20 30 CCEDLO C=C(C)CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633176170 371424850 /nfs/dbraw/zinc/42/48/50/371424850.db2.gz SPSFPZLHDXNGAO-UHFFFAOYSA-N 1 2 289.383 0.922 20 30 CCEDLO Cn1nccc1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574404111 335016971 /nfs/dbraw/zinc/01/69/71/335016971.db2.gz KWRVLGBFVPJMLD-ZDUSSCGKSA-N 1 2 263.345 0.313 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC#CCO)cc1 ZINC000635900695 373074769 /nfs/dbraw/zinc/07/47/69/373074769.db2.gz QZZVHPWEBFUEPT-HNNXBMFYSA-N 1 2 288.347 0.381 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC#CCO)cc1 ZINC000635900695 373074776 /nfs/dbraw/zinc/07/47/76/373074776.db2.gz QZZVHPWEBFUEPT-HNNXBMFYSA-N 1 2 288.347 0.381 20 30 CCEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCNC1=O ZINC000333317337 284397220 /nfs/dbraw/zinc/39/72/20/284397220.db2.gz PAQSZAOXGOAHIK-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCNC1=O ZINC000333317337 284397224 /nfs/dbraw/zinc/39/72/24/284397224.db2.gz PAQSZAOXGOAHIK-LBPRGKRZSA-N 1 2 292.383 0.539 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638475178 375073369 /nfs/dbraw/zinc/07/33/69/375073369.db2.gz VPOPZUQJGROXGC-NEPJUHHUSA-N 1 2 265.357 0.231 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)C(C)C)nn1 ZINC000640799110 376550439 /nfs/dbraw/zinc/55/04/39/376550439.db2.gz VYPOXVBTPNOYNI-GFCCVEGCSA-N 1 2 277.372 0.552 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCC)nn1 ZINC000640888748 376601912 /nfs/dbraw/zinc/60/19/12/376601912.db2.gz XJQVLQPGZJGEIN-NSHDSACASA-N 1 2 263.345 0.478 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCn2cc(Cl)cn2)nn1 ZINC000641036136 376694942 /nfs/dbraw/zinc/69/49/42/376694942.db2.gz HKARUOFONCBHBX-UHFFFAOYSA-N 1 2 278.747 0.941 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nsc(N(C)C)n2)nn1 ZINC000641085570 376760834 /nfs/dbraw/zinc/76/08/34/376760834.db2.gz MDXRIBKGMXDOHP-UHFFFAOYSA-N 1 2 291.384 0.357 20 30 CCEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CC3CC3)no2)nn1 ZINC000641159808 376823567 /nfs/dbraw/zinc/82/35/67/376823567.db2.gz FPBJOVZNEJJDBI-UHFFFAOYSA-N 1 2 286.339 0.775 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)C(F)(F)F)nn1 ZINC000641222162 376911004 /nfs/dbraw/zinc/91/10/04/376911004.db2.gz BVKLPUJYXFJHCE-SNVBAGLBSA-N 1 2 276.262 0.704 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000657559893 413024451 /nfs/dbraw/zinc/02/44/51/413024451.db2.gz DCLWHYJYZSVHGB-UHFFFAOYSA-N 1 2 290.367 0.958 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495757 388754993 /nfs/dbraw/zinc/75/49/93/388754993.db2.gz QHIFPQIYIAYAHD-NDBYEHHHSA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000282495757 388754994 /nfs/dbraw/zinc/75/49/94/388754994.db2.gz QHIFPQIYIAYAHD-NDBYEHHHSA-N 1 2 296.367 0.472 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283928429 388770726 /nfs/dbraw/zinc/77/07/26/388770726.db2.gz GRAKTCOVRPQZHG-UWVGGRQHSA-N 1 2 280.328 0.233 20 30 CCEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000286492713 388841429 /nfs/dbraw/zinc/84/14/29/388841429.db2.gz MRCFGPZZYFJOBM-UHFFFAOYSA-N 1 2 285.413 0.186 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000287849742 388856962 /nfs/dbraw/zinc/85/69/62/388856962.db2.gz CELFTNWYCGINIP-UHFFFAOYSA-N 1 2 289.379 0.057 20 30 CCEDLO C#C[C@@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000287134562 388849106 /nfs/dbraw/zinc/84/91/06/388849106.db2.gz NIJPKDZLHIBRLJ-GFCCVEGCSA-N 1 2 291.355 0.359 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047593242 388880472 /nfs/dbraw/zinc/88/04/72/388880472.db2.gz KBBSBAIEOMXSGG-GFCCVEGCSA-N 1 2 273.336 0.695 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047593242 388880475 /nfs/dbraw/zinc/88/04/75/388880475.db2.gz KBBSBAIEOMXSGG-GFCCVEGCSA-N 1 2 273.336 0.695 20 30 CCEDLO C=C(C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000187854468 388899408 /nfs/dbraw/zinc/89/94/08/388899408.db2.gz IJAMGEYUQYMUDU-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C=C(C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000187854468 388899409 /nfs/dbraw/zinc/89/94/09/388899409.db2.gz IJAMGEYUQYMUDU-UHFFFAOYSA-N 1 2 255.362 0.973 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000291108317 388917417 /nfs/dbraw/zinc/91/74/17/388917417.db2.gz SMXIQUJVUSRFIU-UHFFFAOYSA-N 1 2 299.374 0.149 20 30 CCEDLO C#Cc1ccccc1CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000291108317 388917423 /nfs/dbraw/zinc/91/74/23/388917423.db2.gz SMXIQUJVUSRFIU-UHFFFAOYSA-N 1 2 299.374 0.149 20 30 CCEDLO C#CCONC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000291277245 388920075 /nfs/dbraw/zinc/92/00/75/388920075.db2.gz OHJPTEFQIWKBFN-UHFFFAOYSA-N 1 2 274.320 0.813 20 30 CCEDLO C#CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000052710107 388927245 /nfs/dbraw/zinc/92/72/45/388927245.db2.gz BRMVINVZQFKSMF-HUUCEWRRSA-N 1 2 277.412 0.742 20 30 CCEDLO C#CCN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000052710107 388927248 /nfs/dbraw/zinc/92/72/48/388927248.db2.gz BRMVINVZQFKSMF-HUUCEWRRSA-N 1 2 277.412 0.742 20 30 CCEDLO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)C(=O)OC ZINC000057906447 388933965 /nfs/dbraw/zinc/93/39/65/388933965.db2.gz RVEJCIKBPDFWRX-FZMZJTMJSA-N 1 2 295.383 0.926 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000066499585 388945258 /nfs/dbraw/zinc/94/52/58/388945258.db2.gz GYWYUGAYXDLLKU-AWEZNQCLSA-N 1 2 279.384 0.643 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000066499585 388945259 /nfs/dbraw/zinc/94/52/59/388945259.db2.gz GYWYUGAYXDLLKU-AWEZNQCLSA-N 1 2 279.384 0.643 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000293239459 388980988 /nfs/dbraw/zinc/98/09/88/388980988.db2.gz SPMFUZGDYZODEY-UHFFFAOYSA-N 1 2 273.336 0.968 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000293239459 388980993 /nfs/dbraw/zinc/98/09/93/388980993.db2.gz SPMFUZGDYZODEY-UHFFFAOYSA-N 1 2 273.336 0.968 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078908983 388991473 /nfs/dbraw/zinc/99/14/73/388991473.db2.gz VPKHRYHZTFRKRK-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000192220366 389027887 /nfs/dbraw/zinc/02/78/87/389027887.db2.gz MYOYWBQAFJMQGE-UHFFFAOYSA-N 1 2 273.336 0.940 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000192220366 389027891 /nfs/dbraw/zinc/02/78/91/389027891.db2.gz MYOYWBQAFJMQGE-UHFFFAOYSA-N 1 2 273.336 0.940 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000192226603 389029561 /nfs/dbraw/zinc/02/95/61/389029561.db2.gz IGTVJRPQGSPJQV-UHFFFAOYSA-N 1 2 295.364 0.146 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000192226603 389029566 /nfs/dbraw/zinc/02/95/66/389029566.db2.gz IGTVJRPQGSPJQV-UHFFFAOYSA-N 1 2 295.364 0.146 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092841650 389031927 /nfs/dbraw/zinc/03/19/27/389031927.db2.gz IDZBDGKHJGBACI-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092841650 389031935 /nfs/dbraw/zinc/03/19/35/389031935.db2.gz IDZBDGKHJGBACI-VIFPVBQESA-N 1 2 252.767 0.753 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000354280363 389019151 /nfs/dbraw/zinc/01/91/51/389019151.db2.gz DAEQSGFBFUAYJQ-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000354280363 389019156 /nfs/dbraw/zinc/01/91/56/389019156.db2.gz DAEQSGFBFUAYJQ-DGCLKSJQSA-N 1 2 256.346 0.150 20 30 CCEDLO NC(=O)C[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000191898438 389019438 /nfs/dbraw/zinc/01/94/38/389019438.db2.gz GUDYXPHRNMJUFN-UHFFFAOYSA-N 1 2 257.337 0.141 20 30 CCEDLO NC(=O)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191898438 389019445 /nfs/dbraw/zinc/01/94/45/389019445.db2.gz GUDYXPHRNMJUFN-UHFFFAOYSA-N 1 2 257.337 0.141 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552283 389020744 /nfs/dbraw/zinc/02/07/44/389020744.db2.gz HGVLPISPZCKFSI-SNVBAGLBSA-N 1 2 264.285 0.990 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552283 389020749 /nfs/dbraw/zinc/02/07/49/389020749.db2.gz HGVLPISPZCKFSI-SNVBAGLBSA-N 1 2 264.285 0.990 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336812706 389022487 /nfs/dbraw/zinc/02/24/87/389022487.db2.gz SBJPMXCXHSMVLB-JTQLQIEISA-N 1 2 279.262 0.405 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336812706 389022489 /nfs/dbraw/zinc/02/24/89/389022489.db2.gz SBJPMXCXHSMVLB-JTQLQIEISA-N 1 2 279.262 0.405 20 30 CCEDLO CC(C)(C)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000096971534 389066471 /nfs/dbraw/zinc/06/64/71/389066471.db2.gz BRHRPCDWIJBXGL-UHFFFAOYSA-N 1 2 296.415 0.449 20 30 CCEDLO C=CCNC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000101548922 389072878 /nfs/dbraw/zinc/07/28/78/389072878.db2.gz AOUKLBGTEPUSBU-AWEZNQCLSA-N 1 2 261.325 0.279 20 30 CCEDLO C=C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302602466 389075207 /nfs/dbraw/zinc/07/52/07/389075207.db2.gz YYNFPCANLMQSDG-JTQLQIEISA-N 1 2 261.329 0.741 20 30 CCEDLO C=C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302602466 389075208 /nfs/dbraw/zinc/07/52/08/389075208.db2.gz YYNFPCANLMQSDG-JTQLQIEISA-N 1 2 261.329 0.741 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)nc1C#N ZINC000302706006 389076331 /nfs/dbraw/zinc/07/63/31/389076331.db2.gz JTUCQLLFDRFJEN-UHFFFAOYSA-N 1 2 299.378 0.662 20 30 CCEDLO CCC[N@H+](CC#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697249 389037843 /nfs/dbraw/zinc/03/78/43/389037843.db2.gz KWLYUEFRBOOSCQ-LBPRGKRZSA-N 1 2 273.402 0.894 20 30 CCEDLO CCC[N@@H+](CC#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697249 389037848 /nfs/dbraw/zinc/03/78/48/389037848.db2.gz KWLYUEFRBOOSCQ-LBPRGKRZSA-N 1 2 273.402 0.894 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355130096 389043485 /nfs/dbraw/zinc/04/34/85/389043485.db2.gz SINNGYQZFJACSB-CYBMUJFWSA-N 1 2 299.378 0.766 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338381160 389111378 /nfs/dbraw/zinc/11/13/78/389111378.db2.gz GLXHQENXONQBJT-UPJWGTAASA-N 1 2 281.356 0.094 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338381160 389111379 /nfs/dbraw/zinc/11/13/79/389111379.db2.gz GLXHQENXONQBJT-UPJWGTAASA-N 1 2 281.356 0.094 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339071932 389123812 /nfs/dbraw/zinc/12/38/12/389123812.db2.gz DQEWRBWBPCYLJR-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339071932 389123814 /nfs/dbraw/zinc/12/38/14/389123814.db2.gz DQEWRBWBPCYLJR-UTUOFQBUSA-N 1 2 288.417 0.490 20 30 CCEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339081765 389124903 /nfs/dbraw/zinc/12/49/03/389124903.db2.gz ARLWGQRNPQUIBX-LBPRGKRZSA-N 1 2 282.388 0.582 20 30 CCEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339081765 389124907 /nfs/dbraw/zinc/12/49/07/389124907.db2.gz ARLWGQRNPQUIBX-LBPRGKRZSA-N 1 2 282.388 0.582 20 30 CCEDLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC(C1CC1)C1CC1 ZINC000328618464 389129418 /nfs/dbraw/zinc/12/94/18/389129418.db2.gz VEHKAOHXLFZEDY-QWRGUYRKSA-N 1 2 254.330 0.169 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC000328783344 389138003 /nfs/dbraw/zinc/13/80/03/389138003.db2.gz NKYRIGJXKYQEMQ-YPMHNXCESA-N 1 2 256.346 0.825 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC000328783344 389138005 /nfs/dbraw/zinc/13/80/05/389138005.db2.gz NKYRIGJXKYQEMQ-YPMHNXCESA-N 1 2 256.346 0.825 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328832095 389140193 /nfs/dbraw/zinc/14/01/93/389140193.db2.gz VORQEGQQFHKPPZ-NXEZZACHSA-N 1 2 255.318 0.783 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328832095 389140195 /nfs/dbraw/zinc/14/01/95/389140195.db2.gz VORQEGQQFHKPPZ-NXEZZACHSA-N 1 2 255.318 0.783 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCOC3)C[C@H]21 ZINC000329661308 389184361 /nfs/dbraw/zinc/18/43/61/389184361.db2.gz OXDPNCXFZBEDFD-JHJVBQTASA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCOC3)C[C@H]21 ZINC000329661308 389184362 /nfs/dbraw/zinc/18/43/62/389184362.db2.gz OXDPNCXFZBEDFD-JHJVBQTASA-N 1 2 283.372 0.342 20 30 CCEDLO [O-]C(=[NH+]C[C@@H]1COCCO1)N1CCn2c[nH+]cc2C1 ZINC000329701983 389190619 /nfs/dbraw/zinc/19/06/19/389190619.db2.gz HQRFGWJAWIVTCN-LLVKDONJSA-N 1 2 266.301 0.028 20 30 CCEDLO O=C(NC[C@@H]1COCCO1)N1CCn2c[nH+]cc2C1 ZINC000329701983 389190622 /nfs/dbraw/zinc/19/06/22/389190622.db2.gz HQRFGWJAWIVTCN-LLVKDONJSA-N 1 2 266.301 0.028 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329733592 389194453 /nfs/dbraw/zinc/19/44/53/389194453.db2.gz JSPUNHRECFXPPL-VWYCJHECSA-N 1 2 294.355 0.263 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329733592 389194456 /nfs/dbraw/zinc/19/44/56/389194456.db2.gz JSPUNHRECFXPPL-VWYCJHECSA-N 1 2 294.355 0.263 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000130276950 389202695 /nfs/dbraw/zinc/20/26/95/389202695.db2.gz MZAIZLRHJMLJFY-SNVBAGLBSA-N 1 2 295.289 0.897 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000130276950 389202696 /nfs/dbraw/zinc/20/26/96/389202696.db2.gz MZAIZLRHJMLJFY-SNVBAGLBSA-N 1 2 295.289 0.897 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC000342244068 389202870 /nfs/dbraw/zinc/20/28/70/389202870.db2.gz XZQXQCWYNBGYHR-ZDUSSCGKSA-N 1 2 289.383 0.457 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000342244068 389202875 /nfs/dbraw/zinc/20/28/75/389202875.db2.gz XZQXQCWYNBGYHR-ZDUSSCGKSA-N 1 2 289.383 0.457 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC000329863161 389206654 /nfs/dbraw/zinc/20/66/54/389206654.db2.gz RPYBAQATZZFYFQ-SNVBAGLBSA-N 1 2 252.318 0.629 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC000329863161 389206657 /nfs/dbraw/zinc/20/66/57/389206657.db2.gz RPYBAQATZZFYFQ-SNVBAGLBSA-N 1 2 252.318 0.629 20 30 CCEDLO CCC[N@@H+](CC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000123020237 389154185 /nfs/dbraw/zinc/15/41/85/389154185.db2.gz XTNVFDJSROFYBB-UHFFFAOYSA-N 1 2 266.345 0.942 20 30 CCEDLO CCC[N@H+](CC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000123020237 389154187 /nfs/dbraw/zinc/15/41/87/389154187.db2.gz XTNVFDJSROFYBB-UHFFFAOYSA-N 1 2 266.345 0.942 20 30 CCEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124518059 389161930 /nfs/dbraw/zinc/16/19/30/389161930.db2.gz MWWOYXCJUIAEED-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000124518059 389161931 /nfs/dbraw/zinc/16/19/31/389161931.db2.gz MWWOYXCJUIAEED-CQSZACIVSA-N 1 2 286.379 0.337 20 30 CCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000329414166 389162948 /nfs/dbraw/zinc/16/29/48/389162948.db2.gz YQQXDMCQTZOOJM-TUAOUCFPSA-N 1 2 254.330 0.601 20 30 CCEDLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000329414166 389162951 /nfs/dbraw/zinc/16/29/51/389162951.db2.gz YQQXDMCQTZOOJM-TUAOUCFPSA-N 1 2 254.330 0.601 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000359087033 389166823 /nfs/dbraw/zinc/16/68/23/389166823.db2.gz ILSGYJPNMYAEIU-UONOGXRCSA-N 1 2 283.416 0.720 20 30 CCEDLO Cn1cnc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)n1 ZINC000236131370 389167945 /nfs/dbraw/zinc/16/79/45/389167945.db2.gz NQIAIBZRDXSODY-GFCCVEGCSA-N 1 2 287.323 0.216 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CCCOC2)CC1 ZINC000329532383 389169378 /nfs/dbraw/zinc/16/93/78/389169378.db2.gz XDLHODWKMLZTSO-HNNXBMFYSA-N 1 2 297.399 0.924 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CC1 ZINC000329598189 389174452 /nfs/dbraw/zinc/17/44/52/389174452.db2.gz DAEOVAALTRGVHN-VIFPVBQESA-N 1 2 264.329 0.638 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CC1 ZINC000329598189 389174454 /nfs/dbraw/zinc/17/44/54/389174454.db2.gz DAEOVAALTRGVHN-VIFPVBQESA-N 1 2 264.329 0.638 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCOC3)C[C@@H]21 ZINC000329613518 389176325 /nfs/dbraw/zinc/17/63/25/389176325.db2.gz OXDPNCXFZBEDFD-FRRDWIJNSA-N 1 2 283.372 0.342 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[C@@H]3CCOC3)C[C@@H]21 ZINC000329613518 389176326 /nfs/dbraw/zinc/17/63/26/389176326.db2.gz OXDPNCXFZBEDFD-FRRDWIJNSA-N 1 2 283.372 0.342 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC[C@H]2CCOC2)C1 ZINC000329627779 389178713 /nfs/dbraw/zinc/17/87/13/389178713.db2.gz HALDEBCZYLXXEV-QWHCGFSZSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[C@H]2CCOC2)C1 ZINC000329627779 389178717 /nfs/dbraw/zinc/17/87/17/389178717.db2.gz HALDEBCZYLXXEV-QWHCGFSZSA-N 1 2 284.404 0.162 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247598850 389241305 /nfs/dbraw/zinc/24/13/05/389241305.db2.gz OWIDYCSIUYYDTG-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247598850 389241306 /nfs/dbraw/zinc/24/13/06/389241306.db2.gz OWIDYCSIUYYDTG-GHMZBOCLSA-N 1 2 269.345 0.498 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330592648 389244933 /nfs/dbraw/zinc/24/49/33/389244933.db2.gz WDGATIZGZUVAJT-MJBXVCDLSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330592648 389244936 /nfs/dbraw/zinc/24/49/36/389244936.db2.gz WDGATIZGZUVAJT-MJBXVCDLSA-N 1 2 282.384 0.541 20 30 CCEDLO Cc1nc(C(=O)NCCc2[nH]cc[nH+]2)ccc1C#N ZINC000134494925 389245943 /nfs/dbraw/zinc/24/59/43/389245943.db2.gz BNDDNQJILRHYSS-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO Cc1ncncc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330624096 389247306 /nfs/dbraw/zinc/24/73/06/389247306.db2.gz QRBRVWAVDVUIBG-SNVBAGLBSA-N 1 2 264.329 0.810 20 30 CCEDLO Cc1ncncc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330624096 389247308 /nfs/dbraw/zinc/24/73/08/389247308.db2.gz QRBRVWAVDVUIBG-SNVBAGLBSA-N 1 2 264.329 0.810 20 30 CCEDLO C=CCN1CC[C@H](N(C)Cc2[nH+]cc(C)n2C)C1=O ZINC000342862613 389254116 /nfs/dbraw/zinc/25/41/16/389254116.db2.gz TWLLXKMXIMSCQY-LBPRGKRZSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363840892 389254985 /nfs/dbraw/zinc/25/49/85/389254985.db2.gz IETLICLPUVTXCF-LBPRGKRZSA-N 1 2 279.340 0.323 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363840892 389254987 /nfs/dbraw/zinc/25/49/87/389254987.db2.gz IETLICLPUVTXCF-LBPRGKRZSA-N 1 2 279.340 0.323 20 30 CCEDLO CC(=O)[C@](C)(O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000330856295 389255964 /nfs/dbraw/zinc/25/59/64/389255964.db2.gz SEKIRFYRSRGTIC-OAHLLOKOSA-N 1 2 288.351 0.415 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135587017 389260195 /nfs/dbraw/zinc/26/01/95/389260195.db2.gz PCNRDDRSVPXHNG-UHFFFAOYSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135587017 389260196 /nfs/dbraw/zinc/26/01/96/389260196.db2.gz PCNRDDRSVPXHNG-UHFFFAOYSA-N 1 2 254.330 0.170 20 30 CCEDLO C=CCC(C)(C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000343199437 389261043 /nfs/dbraw/zinc/26/10/43/389261043.db2.gz BSRWVQZBBJCDSQ-UHFFFAOYSA-N 1 2 284.400 0.742 20 30 CCEDLO C=CCOC[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000361107411 389208653 /nfs/dbraw/zinc/20/86/53/389208653.db2.gz AKJWROIVMUMNCG-SNVBAGLBSA-N 1 2 253.302 0.254 20 30 CCEDLO CC1(C(=O)NCC2([NH+]3CCOCC3)CC2)COC1 ZINC000329896254 389209104 /nfs/dbraw/zinc/20/91/04/389209104.db2.gz CHSVVALXUFPNOL-UHFFFAOYSA-N 1 2 254.330 0.844 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC000329909964 389210750 /nfs/dbraw/zinc/21/07/50/389210750.db2.gz MWHJPQKEXFJBGE-QJPTWQEYSA-N 1 2 269.345 0.094 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC000329909964 389210751 /nfs/dbraw/zinc/21/07/51/389210751.db2.gz MWHJPQKEXFJBGE-QJPTWQEYSA-N 1 2 269.345 0.094 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342580514 389224229 /nfs/dbraw/zinc/22/42/29/389224229.db2.gz FGLRRHHFEUFXFN-LBPRGKRZSA-N 1 2 275.352 0.837 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342580514 389224230 /nfs/dbraw/zinc/22/42/30/389224230.db2.gz FGLRRHHFEUFXFN-LBPRGKRZSA-N 1 2 275.352 0.837 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330407980 389226038 /nfs/dbraw/zinc/22/60/38/389226038.db2.gz HHNICCGANQDRNZ-JTQLQIEISA-N 1 2 285.373 0.331 20 30 CCEDLO C=CC[N@@H+](CCOC)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000361996403 389227415 /nfs/dbraw/zinc/22/74/15/389227415.db2.gz ORARRVZJBKAMOZ-CQSZACIVSA-N 1 2 270.373 0.851 20 30 CCEDLO C=CC[N@H+](CCOC)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000361996403 389227417 /nfs/dbraw/zinc/22/74/17/389227417.db2.gz ORARRVZJBKAMOZ-CQSZACIVSA-N 1 2 270.373 0.851 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246462712 389228729 /nfs/dbraw/zinc/22/87/29/389228729.db2.gz JFXWAYJJYBUCKB-RWMBFGLXSA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246462712 389228730 /nfs/dbraw/zinc/22/87/30/389228730.db2.gz JFXWAYJJYBUCKB-RWMBFGLXSA-N 1 2 268.357 0.557 20 30 CCEDLO CCN(CCO)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330436894 389229404 /nfs/dbraw/zinc/22/94/04/389229404.db2.gz MTDFPDDORREVFU-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CCN(CCO)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330436894 389229408 /nfs/dbraw/zinc/22/94/08/389229408.db2.gz MTDFPDDORREVFU-UHFFFAOYSA-N 1 2 273.377 0.325 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330474354 389233614 /nfs/dbraw/zinc/23/36/14/389233614.db2.gz HQOZOZHSUVIFHY-LBPRGKRZSA-N 1 2 279.344 0.398 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330474354 389233617 /nfs/dbraw/zinc/23/36/17/389233617.db2.gz HQOZOZHSUVIFHY-LBPRGKRZSA-N 1 2 279.344 0.398 20 30 CCEDLO C#CCN(CC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000366954356 389313140 /nfs/dbraw/zinc/31/31/40/389313140.db2.gz PLDKWNUPBWLTSH-UHFFFAOYSA-N 1 2 299.378 0.617 20 30 CCEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000156320032 389325144 /nfs/dbraw/zinc/32/51/44/389325144.db2.gz MUFVRYSADZKHMW-OLZOCXBDSA-N 1 2 278.356 0.752 20 30 CCEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000156320032 389325146 /nfs/dbraw/zinc/32/51/46/389325146.db2.gz MUFVRYSADZKHMW-OLZOCXBDSA-N 1 2 278.356 0.752 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+](C)[C@@H](C)CC#N)nn1 ZINC000156912619 389327668 /nfs/dbraw/zinc/32/76/68/389327668.db2.gz WSPVZVWKGVPZGS-JTQLQIEISA-N 1 2 265.317 0.228 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+](C)[C@@H](C)CC#N)nn1 ZINC000156912619 389327671 /nfs/dbraw/zinc/32/76/71/389327671.db2.gz WSPVZVWKGVPZGS-JTQLQIEISA-N 1 2 265.317 0.228 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158057547 389335128 /nfs/dbraw/zinc/33/51/28/389335128.db2.gz WFVSHPLWJDRSAS-UHFFFAOYSA-N 1 2 281.356 0.643 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158057547 389335130 /nfs/dbraw/zinc/33/51/30/389335130.db2.gz WFVSHPLWJDRSAS-UHFFFAOYSA-N 1 2 281.356 0.643 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264613053 389338633 /nfs/dbraw/zinc/33/86/33/389338633.db2.gz ODTUUGOGDGGWSH-WCBMZHEXSA-N 1 2 266.263 0.676 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264613053 389338635 /nfs/dbraw/zinc/33/86/35/389338635.db2.gz ODTUUGOGDGGWSH-WCBMZHEXSA-N 1 2 266.263 0.676 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158405266 389341193 /nfs/dbraw/zinc/34/11/93/389341193.db2.gz JJRKSRKYJJUDOT-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158405266 389341198 /nfs/dbraw/zinc/34/11/98/389341198.db2.gz JJRKSRKYJJUDOT-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365918823 389289411 /nfs/dbraw/zinc/28/94/11/389289411.db2.gz LLBMNSCIJIUXNB-JTQLQIEISA-N 1 2 261.329 0.122 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366569895 389305455 /nfs/dbraw/zinc/30/54/55/389305455.db2.gz IIFNCASOCVQBRA-NFAWXSAZSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366569895 389305459 /nfs/dbraw/zinc/30/54/59/389305459.db2.gz IIFNCASOCVQBRA-NFAWXSAZSA-N 1 2 295.383 0.627 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000408402191 389346692 /nfs/dbraw/zinc/34/66/92/389346692.db2.gz GYZXEASEZZXHAW-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000408402191 389346695 /nfs/dbraw/zinc/34/66/95/389346695.db2.gz GYZXEASEZZXHAW-VXGBXAGGSA-N 1 2 276.402 0.279 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)CSCC#N ZINC000171417261 389474626 /nfs/dbraw/zinc/47/46/26/389474626.db2.gz KRUSYFMDWZMYRM-UHFFFAOYSA-N 1 2 257.359 0.034 20 30 CCEDLO N#Cc1c(N)n[nH]c1CCCNc1nc[nH+]c(N)c1Cl ZINC000273081014 389475059 /nfs/dbraw/zinc/47/50/59/389475059.db2.gz HJOVQHYTRJGBJF-UHFFFAOYSA-N 1 2 292.734 0.934 20 30 CCEDLO N#Cc1c(N)n[nH]c1CCCNc1[nH+]cnc(N)c1Cl ZINC000273081014 389475062 /nfs/dbraw/zinc/47/50/62/389475062.db2.gz HJOVQHYTRJGBJF-UHFFFAOYSA-N 1 2 292.734 0.934 20 30 CCEDLO C[C@H](C#N)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270462198 389433110 /nfs/dbraw/zinc/43/31/10/389433110.db2.gz AQKUURDVKKFSKN-SNVBAGLBSA-N 1 2 264.285 0.848 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270462198 389433112 /nfs/dbraw/zinc/43/31/12/389433112.db2.gz AQKUURDVKKFSKN-SNVBAGLBSA-N 1 2 264.285 0.848 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc[nH]n1 ZINC000172726873 389492707 /nfs/dbraw/zinc/49/27/07/389492707.db2.gz OLEXRZMEUPHZGJ-UHFFFAOYSA-N 1 2 291.355 0.027 20 30 CCEDLO Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1C#N ZINC000174583693 389524941 /nfs/dbraw/zinc/52/49/41/389524941.db2.gz OYAKASTUKPQIAD-UHFFFAOYSA-N 1 2 297.318 0.818 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@]2(C)C(=O)OC)C1=O ZINC000281308567 389612954 /nfs/dbraw/zinc/61/29/54/389612954.db2.gz KKQTWDFZTWQHJQ-FZMZJTMJSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@]2(C)C(=O)OC)C1=O ZINC000281308567 389612958 /nfs/dbraw/zinc/61/29/58/389612958.db2.gz KKQTWDFZTWQHJQ-FZMZJTMJSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCCn1cc(C(=O)NCc2[nH+]ccn2C)nn1 ZINC000424644975 389626687 /nfs/dbraw/zinc/62/66/87/389626687.db2.gz NKTLUTXJIQAVOL-UHFFFAOYSA-N 1 2 260.301 0.518 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000424668418 389628177 /nfs/dbraw/zinc/62/81/77/389628177.db2.gz WMEIZKVDFRYKRF-UHFFFAOYSA-N 1 2 260.301 0.850 20 30 CCEDLO NC(=[NH+]O[C@H]1CCNC1=O)c1cccc(Cl)c1 ZINC000179118262 389638373 /nfs/dbraw/zinc/63/83/73/389638373.db2.gz NOWASHGSOSLANG-VIFPVBQESA-N 1 2 253.689 0.865 20 30 CCEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000425197638 389641605 /nfs/dbraw/zinc/64/16/05/389641605.db2.gz CJPCGQVBHGWVTN-UHFFFAOYSA-N 1 2 276.296 0.581 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CCCS(C)(=O)=O)C1=O ZINC000282017862 389645672 /nfs/dbraw/zinc/64/56/72/389645672.db2.gz OYMDULBQTQNNNS-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CCCS(C)(=O)=O)C1=O ZINC000282017862 389645676 /nfs/dbraw/zinc/64/56/76/389645676.db2.gz OYMDULBQTQNNNS-LLVKDONJSA-N 1 2 274.386 0.140 20 30 CCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC000351489844 389591528 /nfs/dbraw/zinc/59/15/28/389591528.db2.gz ZXNRFMGSCRBFCH-JTQLQIEISA-N 1 2 255.281 0.968 20 30 CCEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000178147713 389598153 /nfs/dbraw/zinc/59/81/53/389598153.db2.gz PEJKQIVIXRTTGX-NSHDSACASA-N 1 2 289.335 0.664 20 30 CCEDLO Cn1c2ccccc2n(C[C@@H](O)C[N@H+](C)CCC#N)c1=O ZINC000414107544 389600918 /nfs/dbraw/zinc/60/09/18/389600918.db2.gz KJTKQKHVKICGOO-LBPRGKRZSA-N 1 2 288.351 0.546 20 30 CCEDLO Cn1c2ccccc2n(C[C@@H](O)C[N@@H+](C)CCC#N)c1=O ZINC000414107544 389600920 /nfs/dbraw/zinc/60/09/20/389600920.db2.gz KJTKQKHVKICGOO-LBPRGKRZSA-N 1 2 288.351 0.546 20 30 CCEDLO CCC1(CC)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414106213 389601148 /nfs/dbraw/zinc/60/11/48/389601148.db2.gz IAFARZMEPOGTPR-LLVKDONJSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC1(CC)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414106213 389601152 /nfs/dbraw/zinc/60/11/52/389601152.db2.gz IAFARZMEPOGTPR-LLVKDONJSA-N 1 2 296.371 0.303 20 30 CCEDLO CCC[C@@H]1CCC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414157941 389603559 /nfs/dbraw/zinc/60/35/59/389603559.db2.gz XBGZYCWOIISCSY-CHWSQXEVSA-N 1 2 295.383 0.758 20 30 CCEDLO CCC[C@@H]1CCC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414157941 389603563 /nfs/dbraw/zinc/60/35/63/389603563.db2.gz XBGZYCWOIISCSY-CHWSQXEVSA-N 1 2 295.383 0.758 20 30 CCEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000178425259 389605045 /nfs/dbraw/zinc/60/50/45/389605045.db2.gz PXZMGGCVOBEZQV-UHFFFAOYSA-N 1 2 286.335 0.579 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C)CC1 ZINC000282086152 389655929 /nfs/dbraw/zinc/65/59/29/389655929.db2.gz BBTKSEJPPMMJRA-UHFFFAOYSA-N 1 2 261.373 0.769 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000181307050 389684153 /nfs/dbraw/zinc/68/41/53/389684153.db2.gz SBPSQCROHTVMSY-GHMZBOCLSA-N 1 2 274.386 0.186 20 30 CCEDLO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000181307050 389684156 /nfs/dbraw/zinc/68/41/56/389684156.db2.gz SBPSQCROHTVMSY-GHMZBOCLSA-N 1 2 274.386 0.186 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416655821 389763825 /nfs/dbraw/zinc/76/38/25/389763825.db2.gz DOTYMIFAXJOXPH-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCCS(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416655821 389763826 /nfs/dbraw/zinc/76/38/26/389763826.db2.gz DOTYMIFAXJOXPH-NWDGAFQWSA-N 1 2 276.402 0.279 20 30 CCEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672168 389765781 /nfs/dbraw/zinc/76/57/81/389765781.db2.gz YCVXYTKTFAUJJU-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCCC#N ZINC000416672168 389765784 /nfs/dbraw/zinc/76/57/84/389765784.db2.gz YCVXYTKTFAUJJU-NWDGAFQWSA-N 1 2 289.401 0.007 20 30 CCEDLO CC(C)CN1CC[N@H+](CCC(=O)N(C)CCC#N)CC1=O ZINC000187067179 262377834 /nfs/dbraw/zinc/37/78/34/262377834.db2.gz GROQDJAWWSGACD-UHFFFAOYSA-N 1 2 294.399 0.549 20 30 CCEDLO CC(C)CN1CC[N@@H+](CCC(=O)N(C)CCC#N)CC1=O ZINC000187067179 262377835 /nfs/dbraw/zinc/37/78/35/262377835.db2.gz GROQDJAWWSGACD-UHFFFAOYSA-N 1 2 294.399 0.549 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416477197 389747659 /nfs/dbraw/zinc/74/76/59/389747659.db2.gz QZIHXCLJDIUMQP-GRYCIOLGSA-N 1 2 289.401 0.269 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416477197 389747661 /nfs/dbraw/zinc/74/76/61/389747661.db2.gz QZIHXCLJDIUMQP-GRYCIOLGSA-N 1 2 289.401 0.269 20 30 CCEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091206 389750522 /nfs/dbraw/zinc/75/05/22/389750522.db2.gz DGCZCPQYSXPLNO-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 ZINC000352091206 389750523 /nfs/dbraw/zinc/75/05/23/389750523.db2.gz DGCZCPQYSXPLNO-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000352414376 389807173 /nfs/dbraw/zinc/80/71/73/389807173.db2.gz UFFVMNZOPOHDKI-VHSXEESVSA-N 1 2 271.342 0.714 20 30 CCEDLO CC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)C1 ZINC000352597945 389832812 /nfs/dbraw/zinc/83/28/12/389832812.db2.gz UIHXAUZYQBTQNT-NWDGAFQWSA-N 1 2 288.417 0.349 20 30 CCEDLO CC[N@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)C1 ZINC000352597945 389832816 /nfs/dbraw/zinc/83/28/16/389832816.db2.gz UIHXAUZYQBTQNT-NWDGAFQWSA-N 1 2 288.417 0.349 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441653729 389840666 /nfs/dbraw/zinc/84/06/66/389840666.db2.gz SQEKKGYVJFJTRK-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000441653729 389840667 /nfs/dbraw/zinc/84/06/67/389840667.db2.gz SQEKKGYVJFJTRK-MNOVXSKESA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1ncc(Br)cn1 ZINC000432985181 389895988 /nfs/dbraw/zinc/89/59/88/389895988.db2.gz PKQOQYKVNKBMEC-ZETCQYMHSA-N 1 2 298.144 0.529 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000448948687 389992338 /nfs/dbraw/zinc/99/23/38/389992338.db2.gz FLDAFIKIZWYSJR-TZMCWYRMSA-N 1 2 265.357 0.717 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000336909433 262403913 /nfs/dbraw/zinc/40/39/13/262403913.db2.gz GZZFBLNMFJVSST-LLVKDONJSA-N 1 2 285.373 0.342 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420795880 390032295 /nfs/dbraw/zinc/03/22/95/390032295.db2.gz MQCCFLVTOHKZNY-JTQLQIEISA-N 1 2 294.380 0.750 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420795880 390032298 /nfs/dbraw/zinc/03/22/98/390032298.db2.gz MQCCFLVTOHKZNY-JTQLQIEISA-N 1 2 294.380 0.750 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000468947569 390077075 /nfs/dbraw/zinc/07/70/75/390077075.db2.gz LVCVLHXUZPBJPF-RBSFLKMASA-N 1 2 295.427 0.720 20 30 CCEDLO C#CCN(CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000490628925 390106668 /nfs/dbraw/zinc/10/66/68/390106668.db2.gz IXPLIYWTFXELHM-CYBMUJFWSA-N 1 2 266.389 0.287 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nncn1C ZINC000494814206 390202080 /nfs/dbraw/zinc/20/20/80/390202080.db2.gz ZKSPKMWXDGBLQX-NSHDSACASA-N 1 2 298.350 0.654 20 30 CCEDLO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000543718043 390290053 /nfs/dbraw/zinc/29/00/53/390290053.db2.gz WXJSJTQLCILRHZ-NSHDSACASA-N 1 2 299.334 0.734 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000542785391 390270779 /nfs/dbraw/zinc/27/07/79/390270779.db2.gz URAWJBJMNVYIEI-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO Cc1onc(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000542785391 390270781 /nfs/dbraw/zinc/27/07/81/390270781.db2.gz URAWJBJMNVYIEI-JTQLQIEISA-N 1 2 292.339 0.234 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000644681140 390284833 /nfs/dbraw/zinc/28/48/33/390284833.db2.gz AQTUOCNAKOFREW-WCQYABFASA-N 1 2 293.371 0.303 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000644681140 390284837 /nfs/dbraw/zinc/28/48/37/390284837.db2.gz AQTUOCNAKOFREW-WCQYABFASA-N 1 2 293.371 0.303 20 30 CCEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000496366327 390348763 /nfs/dbraw/zinc/34/87/63/390348763.db2.gz TZAUNNLFENKQJD-LLVKDONJSA-N 1 2 282.344 0.179 20 30 CCEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000496366327 390348766 /nfs/dbraw/zinc/34/87/66/390348766.db2.gz TZAUNNLFENKQJD-LLVKDONJSA-N 1 2 282.344 0.179 20 30 CCEDLO COCC#CC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016809 390362278 /nfs/dbraw/zinc/36/22/78/390362278.db2.gz RSAUQPBQCSMVQQ-UHFFFAOYSA-N 1 2 282.365 0.416 20 30 CCEDLO COCC#CC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016809 390362283 /nfs/dbraw/zinc/36/22/83/390362283.db2.gz RSAUQPBQCSMVQQ-UHFFFAOYSA-N 1 2 282.365 0.416 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000645121741 390374295 /nfs/dbraw/zinc/37/42/95/390374295.db2.gz HZWZMAMQZSHQSD-GFCCVEGCSA-N 1 2 286.335 0.908 20 30 CCEDLO COCCN(CCC#N)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603281416 390379686 /nfs/dbraw/zinc/37/96/86/390379686.db2.gz WWMXWLDULOMENR-UHFFFAOYSA-N 1 2 286.357 0.075 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000645161688 390379748 /nfs/dbraw/zinc/37/97/48/390379748.db2.gz DXRPGXLILVJEIC-CYBMUJFWSA-N 1 2 290.367 0.721 20 30 CCEDLO C=CCn1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000648736058 390397534 /nfs/dbraw/zinc/39/75/34/390397534.db2.gz GZOBKKQSFPCKAE-JTQLQIEISA-N 1 2 260.301 0.479 20 30 CCEDLO Cc1c(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cnn1C ZINC000556079081 390472834 /nfs/dbraw/zinc/47/28/34/390472834.db2.gz OYDSBCQWMJRWDA-OAHLLOKOSA-N 1 2 289.383 0.969 20 30 CCEDLO Cc1c(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cnn1C ZINC000556079081 390472836 /nfs/dbraw/zinc/47/28/36/390472836.db2.gz OYDSBCQWMJRWDA-OAHLLOKOSA-N 1 2 289.383 0.969 20 30 CCEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C#N ZINC000566061575 390570552 /nfs/dbraw/zinc/57/05/52/390570552.db2.gz IZNUIRRVOGACIX-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C#N ZINC000566061575 390570556 /nfs/dbraw/zinc/57/05/56/390570556.db2.gz IZNUIRRVOGACIX-VXGBXAGGSA-N 1 2 253.346 0.763 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOC[C@@H]1CCCO1 ZINC000566309929 390596680 /nfs/dbraw/zinc/59/66/80/390596680.db2.gz YCKFJFUWLJCVRL-JSGCOSHPSA-N 1 2 283.372 0.532 20 30 CCEDLO N#CC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000572579346 390790151 /nfs/dbraw/zinc/79/01/51/390790151.db2.gz FEPGGUBIVVSKSI-TXEJJXNPSA-N 1 2 278.356 0.453 20 30 CCEDLO N#CC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000572579346 390790153 /nfs/dbraw/zinc/79/01/53/390790153.db2.gz FEPGGUBIVVSKSI-TXEJJXNPSA-N 1 2 278.356 0.453 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000529079803 390791477 /nfs/dbraw/zinc/79/14/77/390791477.db2.gz RPNSSQMTMCANAB-GFCCVEGCSA-N 1 2 267.373 0.841 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000529079803 390791481 /nfs/dbraw/zinc/79/14/81/390791481.db2.gz RPNSSQMTMCANAB-GFCCVEGCSA-N 1 2 267.373 0.841 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CCC1 ZINC000530342879 390876386 /nfs/dbraw/zinc/87/63/86/390876386.db2.gz WUDGYCJKWQAIGU-GMXVVIOVSA-N 1 2 290.367 0.135 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CCC1 ZINC000530342879 390876388 /nfs/dbraw/zinc/87/63/88/390876388.db2.gz WUDGYCJKWQAIGU-GMXVVIOVSA-N 1 2 290.367 0.135 20 30 CCEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1c(F)cncc1F ZINC000353231128 533348269 /nfs/dbraw/zinc/34/82/69/533348269.db2.gz MRSQFXARMNLAJZ-SSDOTTSWSA-N 1 2 254.240 0.650 20 30 CCEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000189683381 130007721 /nfs/dbraw/zinc/00/77/21/130007721.db2.gz VUZUIOOHZRCIFV-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO Cc1cc(C#N)nc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000342124366 130280450 /nfs/dbraw/zinc/28/04/50/130280450.db2.gz IGGXXVWFWJBHKR-UHFFFAOYSA-N 1 2 283.339 0.702 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268408534 132004627 /nfs/dbraw/zinc/00/46/27/132004627.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268408534 132004628 /nfs/dbraw/zinc/00/46/28/132004628.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268408534 132004630 /nfs/dbraw/zinc/00/46/30/132004630.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268408534 132004632 /nfs/dbraw/zinc/00/46/32/132004632.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268408534 132004633 /nfs/dbraw/zinc/00/46/33/132004633.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268408534 132004634 /nfs/dbraw/zinc/00/46/34/132004634.db2.gz ACLQYBXWBDDAMI-JQWIXIFHSA-N 1 2 277.372 0.983 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000269268637 132146976 /nfs/dbraw/zinc/14/69/76/132146976.db2.gz CPTKDFOVWXQGCY-CYBMUJFWSA-N 1 2 262.313 0.058 20 30 CCEDLO C[N@H+](CCn1cccn1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544227 397411591 /nfs/dbraw/zinc/41/15/91/397411591.db2.gz VDBPLCPRCKNHAQ-AWEZNQCLSA-N 1 2 283.335 0.913 20 30 CCEDLO C[N@@H+](CCn1cccn1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544227 397411593 /nfs/dbraw/zinc/41/15/93/397411593.db2.gz VDBPLCPRCKNHAQ-AWEZNQCLSA-N 1 2 283.335 0.913 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@@](O)(CO)C2)nn1 ZINC000653759767 412343423 /nfs/dbraw/zinc/34/34/23/412343423.db2.gz SHDKBTBUJBGHQQ-ZDUSSCGKSA-N 1 2 266.345 0.173 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)nn1 ZINC000653759767 412343425 /nfs/dbraw/zinc/34/34/25/412343425.db2.gz SHDKBTBUJBGHQQ-ZDUSSCGKSA-N 1 2 266.345 0.173 20 30 CCEDLO C=CCNC(=O)C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660747671 414469481 /nfs/dbraw/zinc/46/94/81/414469481.db2.gz RGONGOAZSCULML-UHFFFAOYSA-N 1 2 264.329 0.618 20 30 CCEDLO C=CCOCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661007196 414543889 /nfs/dbraw/zinc/54/38/89/414543889.db2.gz IESXXHCIQMYSJG-SNVBAGLBSA-N 1 2 252.318 0.983 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000661228947 414580739 /nfs/dbraw/zinc/58/07/39/414580739.db2.gz WHYSWDHLRNYRSA-SNVBAGLBSA-N 1 2 251.286 0.436 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329252944 227384635 /nfs/dbraw/zinc/38/46/35/227384635.db2.gz YWBOVZFEKFPAFY-CQSZACIVSA-N 1 2 294.355 0.716 20 30 CCEDLO C=CC[N@@H+](CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171747863 335077385 /nfs/dbraw/zinc/07/73/85/335077385.db2.gz FVNRQYSIQVXCCE-GFCCVEGCSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@H+](CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171747863 335077386 /nfs/dbraw/zinc/07/73/86/335077386.db2.gz FVNRQYSIQVXCCE-GFCCVEGCSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000329206635 227352054 /nfs/dbraw/zinc/35/20/54/227352054.db2.gz DWXANPMRAGAFNH-RYUDHWBXSA-N 1 2 271.361 0.247 20 30 CCEDLO COCC(=O)NC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330085299 228036278 /nfs/dbraw/zinc/03/62/78/228036278.db2.gz CTQGMTBDCFQXCV-JTQLQIEISA-N 1 2 292.339 0.259 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000330168354 228054999 /nfs/dbraw/zinc/05/49/99/228054999.db2.gz ZYUAQBIDCGPLFC-MNOVXSKESA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1nccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000330168354 228055001 /nfs/dbraw/zinc/05/50/01/228055001.db2.gz ZYUAQBIDCGPLFC-MNOVXSKESA-N 1 2 277.328 0.345 20 30 CCEDLO Cc1ncc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000352013750 228174267 /nfs/dbraw/zinc/17/42/67/228174267.db2.gz KJXSAYNMSXXPBJ-UHFFFAOYSA-N 1 2 289.383 0.833 20 30 CCEDLO N#CC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000333493337 228202249 /nfs/dbraw/zinc/20/22/49/228202249.db2.gz GZGKIPRJDITWJR-BETUJISGSA-N 1 2 292.383 0.843 20 30 CCEDLO N#CC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000333493337 228202250 /nfs/dbraw/zinc/20/22/50/228202250.db2.gz GZGKIPRJDITWJR-BETUJISGSA-N 1 2 292.383 0.843 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)[C@]1(O)CCSC1 ZINC000328938492 545020243 /nfs/dbraw/zinc/02/02/43/545020243.db2.gz DIGAMMGEKZPPIZ-NSHDSACASA-N 1 2 260.359 0.143 20 30 CCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000407954454 260033515 /nfs/dbraw/zinc/03/35/15/260033515.db2.gz OAQCAXNFSOFJEU-GFCCVEGCSA-N 1 2 288.417 0.350 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000299366592 260185338 /nfs/dbraw/zinc/18/53/38/260185338.db2.gz RPKOJDZWNZZETL-CYBMUJFWSA-N 1 2 270.336 0.402 20 30 CCEDLO N#C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000068430893 260256641 /nfs/dbraw/zinc/25/66/41/260256641.db2.gz HQLUXQIAVOVCHT-NSHDSACASA-N 1 2 256.265 0.699 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnn(C)c1 ZINC000078720931 260302183 /nfs/dbraw/zinc/30/21/83/260302183.db2.gz BRYMHWFBMJQEGY-LLVKDONJSA-N 1 2 263.345 0.612 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnn(C)c1 ZINC000078720931 260302185 /nfs/dbraw/zinc/30/21/85/260302185.db2.gz BRYMHWFBMJQEGY-LLVKDONJSA-N 1 2 263.345 0.612 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000490996985 261290918 /nfs/dbraw/zinc/29/09/18/261290918.db2.gz QWDYQOJVWVPACN-QWHCGFSZSA-N 1 2 266.389 0.189 20 30 CCEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000490996985 261290920 /nfs/dbraw/zinc/29/09/20/261290920.db2.gz QWDYQOJVWVPACN-QWHCGFSZSA-N 1 2 266.389 0.189 20 30 CCEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(CC#N)CC3)cc12 ZINC000174136827 261559472 /nfs/dbraw/zinc/55/94/72/261559472.db2.gz CVJQTGAEYLHCTO-UHFFFAOYSA-N 1 2 284.367 0.918 20 30 CCEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000497286534 262134352 /nfs/dbraw/zinc/13/43/52/262134352.db2.gz XTYDGPFJXCXEBY-UHFFFAOYSA-N 1 2 296.371 0.569 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000336820364 262397311 /nfs/dbraw/zinc/39/73/11/262397311.db2.gz CRDCELIURWHMMR-JTQLQIEISA-N 1 2 278.356 0.941 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000336820364 262397313 /nfs/dbraw/zinc/39/73/13/262397313.db2.gz CRDCELIURWHMMR-JTQLQIEISA-N 1 2 278.356 0.941 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2ccnn2C)C1=O ZINC000337229443 262440810 /nfs/dbraw/zinc/44/08/10/262440810.db2.gz HQJSYASYOIIIFS-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2ccnn2C)C1=O ZINC000337229443 262440811 /nfs/dbraw/zinc/44/08/11/262440811.db2.gz HQJSYASYOIIIFS-CQSZACIVSA-N 1 2 292.383 0.655 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464123 262660407 /nfs/dbraw/zinc/66/04/07/262660407.db2.gz TWQILURQLYXISM-AAEUAGOBSA-N 1 2 280.372 0.651 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366464123 262660408 /nfs/dbraw/zinc/66/04/08/262660408.db2.gz TWQILURQLYXISM-AAEUAGOBSA-N 1 2 280.372 0.651 20 30 CCEDLO CCC[C@H]1CCC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414157944 262818296 /nfs/dbraw/zinc/81/82/96/262818296.db2.gz XBGZYCWOIISCSY-STQMWFEESA-N 1 2 295.383 0.758 20 30 CCEDLO CCC[C@H]1CCC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414157944 262818297 /nfs/dbraw/zinc/81/82/97/262818297.db2.gz XBGZYCWOIISCSY-STQMWFEESA-N 1 2 295.383 0.758 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340227167 263098195 /nfs/dbraw/zinc/09/81/95/263098195.db2.gz ZFFCKZHFJMMIRF-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340227167 263098196 /nfs/dbraw/zinc/09/81/96/263098196.db2.gz ZFFCKZHFJMMIRF-VXGBXAGGSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000340227166 263098230 /nfs/dbraw/zinc/09/82/30/263098230.db2.gz ZFFCKZHFJMMIRF-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000340227166 263098231 /nfs/dbraw/zinc/09/82/31/263098231.db2.gz ZFFCKZHFJMMIRF-RYUDHWBXSA-N 1 2 267.373 0.620 20 30 CCEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cnnn1C ZINC000289334410 263109345 /nfs/dbraw/zinc/10/93/45/263109345.db2.gz FBJKECLUOGHRIL-SECBINFHSA-N 1 2 255.322 0.665 20 30 CCEDLO COc1cc[nH+]cc1CNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000292968660 263136716 /nfs/dbraw/zinc/13/67/16/263136716.db2.gz KXJDDSSOJAKVKG-JTQLQIEISA-N 1 2 298.368 0.516 20 30 CCEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)CCCC#N)CCN1C ZINC000293124322 263138252 /nfs/dbraw/zinc/13/82/52/263138252.db2.gz DLWXTJKZXNKKQK-GFCCVEGCSA-N 1 2 275.356 0.929 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000341460287 263336636 /nfs/dbraw/zinc/33/66/36/263336636.db2.gz RZWDKEMNLYLOAX-UHFFFAOYSA-N 1 2 278.331 0.645 20 30 CCEDLO CCNC(=O)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341968849 263372141 /nfs/dbraw/zinc/37/21/41/263372141.db2.gz AWHSOCNNJQXAPJ-UHFFFAOYSA-N 1 2 282.344 0.084 20 30 CCEDLO C=C1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000341995039 263373477 /nfs/dbraw/zinc/37/34/77/263373477.db2.gz GDPAIHMKPPXRMJ-UHFFFAOYSA-N 1 2 267.373 0.669 20 30 CCEDLO COCCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330512086 263956483 /nfs/dbraw/zinc/95/64/83/263956483.db2.gz JKQHOCDLJVSDLP-UHFFFAOYSA-N 1 2 273.377 0.589 20 30 CCEDLO COCCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330512086 263956484 /nfs/dbraw/zinc/95/64/84/263956484.db2.gz JKQHOCDLJVSDLP-UHFFFAOYSA-N 1 2 273.377 0.589 20 30 CCEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1c(F)cncc1F ZINC000353231133 263981027 /nfs/dbraw/zinc/98/10/27/263981027.db2.gz MRSQFXARMNLAJZ-ZETCQYMHSA-N 1 2 254.240 0.650 20 30 CCEDLO COCC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330695277 264005070 /nfs/dbraw/zinc/00/50/70/264005070.db2.gz JEGBIYNCHPYHNE-RYUDHWBXSA-N 1 2 272.393 0.161 20 30 CCEDLO COCC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330695277 264005072 /nfs/dbraw/zinc/00/50/72/264005072.db2.gz JEGBIYNCHPYHNE-RYUDHWBXSA-N 1 2 272.393 0.161 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)C1 ZINC000330714225 264022475 /nfs/dbraw/zinc/02/24/75/264022475.db2.gz ZQOMZGQHTGOZIY-CHWSQXEVSA-N 1 2 298.431 0.898 20 30 CCEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)C1 ZINC000330714225 264022478 /nfs/dbraw/zinc/02/24/78/264022478.db2.gz ZQOMZGQHTGOZIY-CHWSQXEVSA-N 1 2 298.431 0.898 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCn2cc[nH+]c2C1 ZINC000330788203 264053252 /nfs/dbraw/zinc/05/32/52/264053252.db2.gz YGCSSOUDSKSKHL-GFCCVEGCSA-N 1 2 275.356 0.707 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1CO ZINC000330859480 264055680 /nfs/dbraw/zinc/05/56/80/264055680.db2.gz VJCQRMQGONOKCP-JTQLQIEISA-N 1 2 289.401 0.226 20 30 CCEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1CO ZINC000330859480 264055681 /nfs/dbraw/zinc/05/56/81/264055681.db2.gz VJCQRMQGONOKCP-JTQLQIEISA-N 1 2 289.401 0.226 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330868159 264057649 /nfs/dbraw/zinc/05/76/49/264057649.db2.gz PDRDFYCKLYSRMN-OAHLLOKOSA-N 1 2 292.383 0.391 20 30 CCEDLO CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330938721 264081966 /nfs/dbraw/zinc/08/19/66/264081966.db2.gz CAJKBDDMCPBPBR-JTQLQIEISA-N 1 2 256.350 0.110 20 30 CCEDLO CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330938721 264081968 /nfs/dbraw/zinc/08/19/68/264081968.db2.gz CAJKBDDMCPBPBR-JTQLQIEISA-N 1 2 256.350 0.110 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000331225865 264150454 /nfs/dbraw/zinc/15/04/54/264150454.db2.gz NBGIWUOYSLPSKB-LLVKDONJSA-N 1 2 282.344 0.307 20 30 CCEDLO CCN(C)C(=O)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000331187291 264156282 /nfs/dbraw/zinc/15/62/82/264156282.db2.gz VAJJGXJNKJTROI-UHFFFAOYSA-N 1 2 267.333 0.244 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000331190920 264157369 /nfs/dbraw/zinc/15/73/69/264157369.db2.gz WQQNBBCIQDYRDI-HBNTYKKESA-N 1 2 287.360 0.161 20 30 CCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000331190920 264157371 /nfs/dbraw/zinc/15/73/71/264157371.db2.gz WQQNBBCIQDYRDI-HBNTYKKESA-N 1 2 287.360 0.161 20 30 CCEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H](C)O)CCC2 ZINC000331216122 264164484 /nfs/dbraw/zinc/16/44/84/264164484.db2.gz OUXUXZQHVGNCLH-WDEREUQCSA-N 1 2 266.345 0.953 20 30 CCEDLO CCC[C@@](C)(CO)NC(=O)NCc1[nH+]ccn1C ZINC000331281538 264172074 /nfs/dbraw/zinc/17/20/74/264172074.db2.gz CQOBSKVVLPOLQZ-LBPRGKRZSA-N 1 2 254.334 0.975 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000331237535 264175403 /nfs/dbraw/zinc/17/54/03/264175403.db2.gz MJPRQUGTXGZNJJ-GFCCVEGCSA-N 1 2 278.308 0.862 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000331237535 264175404 /nfs/dbraw/zinc/17/54/04/264175404.db2.gz MJPRQUGTXGZNJJ-GFCCVEGCSA-N 1 2 278.308 0.862 20 30 CCEDLO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)nn1C ZINC000331259006 264183646 /nfs/dbraw/zinc/18/36/46/264183646.db2.gz GVWOUFSOPWJYOZ-NSHDSACASA-N 1 2 281.360 0.197 20 30 CCEDLO CC(C)[C@H](NS(=O)(=O)N(C)CCC#N)c1[nH]cc[nH+]1 ZINC000331341958 264195522 /nfs/dbraw/zinc/19/55/22/264195522.db2.gz SVEKSHMPVVAXGY-JTQLQIEISA-N 1 2 285.373 0.787 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000053439960 264204017 /nfs/dbraw/zinc/20/40/17/264204017.db2.gz NIKCFLIOOIINDP-UHFFFAOYSA-N 1 2 263.341 0.699 20 30 CCEDLO C[C@H](C(=O)N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC000356986562 266225806 /nfs/dbraw/zinc/22/58/06/266225806.db2.gz RDCRCOIQPDDNRP-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C=C(Br)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368827570 267207508 /nfs/dbraw/zinc/20/75/08/267207508.db2.gz XRMXAEIMRDPHII-SNVBAGLBSA-N 1 2 261.163 0.911 20 30 CCEDLO C=C(Br)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368827570 267207510 /nfs/dbraw/zinc/20/75/10/267207510.db2.gz XRMXAEIMRDPHII-SNVBAGLBSA-N 1 2 261.163 0.911 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369311384 267234973 /nfs/dbraw/zinc/23/49/73/267234973.db2.gz GQILHPHEGKXYPZ-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369311384 267234978 /nfs/dbraw/zinc/23/49/78/267234978.db2.gz GQILHPHEGKXYPZ-GFCCVEGCSA-N 1 2 268.357 0.559 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000120178070 267390401 /nfs/dbraw/zinc/39/04/01/267390401.db2.gz VFEMOSGLARVFLH-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000120178070 267390402 /nfs/dbraw/zinc/39/04/02/267390402.db2.gz VFEMOSGLARVFLH-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO COC[C@](C)([NH2+]CCCSCC#N)C(=O)OC ZINC000121252571 267588195 /nfs/dbraw/zinc/58/81/95/267588195.db2.gz JSWZRLWFTLFSBR-NSHDSACASA-N 1 2 260.359 0.801 20 30 CCEDLO Cc1cc(N[C@H]2CCc3nnnn3CC2)c(C#N)c[nH+]1 ZINC000333324232 278623471 /nfs/dbraw/zinc/62/34/71/278623471.db2.gz BNZMTGWACTVCHU-NSHDSACASA-N 1 2 269.312 0.487 20 30 CCEDLO Cn1cc(N2CC[C@H]([NH+]3CCC(F)(C#N)CC3)C2=O)cn1 ZINC000352491607 294253886 /nfs/dbraw/zinc/25/38/86/294253886.db2.gz RQVUNGMAIXAHDO-LBPRGKRZSA-N 1 2 291.330 0.853 20 30 CCEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)C1 ZINC000330276426 295388960 /nfs/dbraw/zinc/38/89/60/295388960.db2.gz MWUYKWSOFVILRN-SECBINFHSA-N 1 2 263.301 0.384 20 30 CCEDLO Cc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000563220377 327980307 /nfs/dbraw/zinc/98/03/07/327980307.db2.gz MEDTWKXDNDYUCO-ZDUSSCGKSA-N 1 2 261.329 0.667 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC000339167809 328000580 /nfs/dbraw/zinc/00/05/80/328000580.db2.gz LMQUGAYLCKYTSD-LLVKDONJSA-N 1 2 251.330 0.654 20 30 CCEDLO Cn1cnc2c1nccc2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571527201 328132128 /nfs/dbraw/zinc/13/21/28/328132128.db2.gz UDKPTWYHEBNVRM-AWEZNQCLSA-N 1 2 286.339 0.542 20 30 CCEDLO NC(=[NH+]OCC(=O)NCc1ccc(F)cc1)[C@H]1CCCO1 ZINC000284617175 328246459 /nfs/dbraw/zinc/24/64/59/328246459.db2.gz ZJPSXWUROXNIFX-GFCCVEGCSA-N 1 2 295.314 0.910 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C#N ZINC000330994771 328471959 /nfs/dbraw/zinc/47/19/59/328471959.db2.gz ZFAJFJZRDJTFGC-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC1(C)CC[N@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000557613686 327016222 /nfs/dbraw/zinc/01/62/22/327016222.db2.gz CGYPDRLWVOCLJT-UHFFFAOYSA-N 1 2 275.356 0.889 20 30 CCEDLO CC1(C)CC[N@@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000557613686 327016224 /nfs/dbraw/zinc/01/62/24/327016224.db2.gz CGYPDRLWVOCLJT-UHFFFAOYSA-N 1 2 275.356 0.889 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000564398356 327018888 /nfs/dbraw/zinc/01/88/88/327018888.db2.gz SJCNURWGBOZICC-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)CCO1 ZINC000564398356 327018889 /nfs/dbraw/zinc/01/88/89/327018889.db2.gz SJCNURWGBOZICC-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C[C@H](NC(=O)NCC1(C#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000559320754 327158547 /nfs/dbraw/zinc/15/85/47/327158547.db2.gz XRIOPAXUHKFTQD-RYUDHWBXSA-N 1 2 280.372 0.699 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368046624 327222500 /nfs/dbraw/zinc/22/25/00/327222500.db2.gz RBMGDTVRWSQOAY-YPMHNXCESA-N 1 2 283.372 0.086 20 30 CCEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368046624 327222501 /nfs/dbraw/zinc/22/25/01/327222501.db2.gz RBMGDTVRWSQOAY-YPMHNXCESA-N 1 2 283.372 0.086 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000564667134 327257640 /nfs/dbraw/zinc/25/76/40/327257640.db2.gz RTDUHOIPJIJPFK-UHFFFAOYSA-N 1 2 251.330 0.613 20 30 CCEDLO C[C@H](C#N)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000562445963 327481945 /nfs/dbraw/zinc/48/19/45/327481945.db2.gz CQBGXWCZERSIDY-NEPJUHHUSA-N 1 2 268.361 0.508 20 30 CCEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570502400 327596370 /nfs/dbraw/zinc/59/63/70/327596370.db2.gz YHZKSMQIPSPZRY-UHFFFAOYSA-N 1 2 270.292 0.755 20 30 CCEDLO O=C(NCC#CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000352182500 328745619 /nfs/dbraw/zinc/74/56/19/328745619.db2.gz RKNPLUJZEDUIFT-UHFFFAOYSA-N 1 2 255.277 0.598 20 30 CCEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000359852257 328899996 /nfs/dbraw/zinc/89/99/96/328899996.db2.gz YNBWQALFBHNNNE-UHFFFAOYSA-N 1 2 294.399 0.693 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183789000 329250624 /nfs/dbraw/zinc/25/06/24/329250624.db2.gz REWOFHZXTUKPKT-OLZOCXBDSA-N 1 2 290.367 0.897 20 30 CCEDLO C=CC[N@@H+](CCOC)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000189423108 329382038 /nfs/dbraw/zinc/38/20/38/329382038.db2.gz LYXKYIQBYRXDII-CYBMUJFWSA-N 1 2 278.356 0.660 20 30 CCEDLO C=CC[N@H+](CCOC)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000189423108 329382040 /nfs/dbraw/zinc/38/20/40/329382040.db2.gz LYXKYIQBYRXDII-CYBMUJFWSA-N 1 2 278.356 0.660 20 30 CCEDLO N#CCSCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110953124 329540496 /nfs/dbraw/zinc/54/04/96/329540496.db2.gz SMTWJMOZSKMVHJ-CYBMUJFWSA-N 1 2 297.424 0.956 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000048412046 329626222 /nfs/dbraw/zinc/62/62/22/329626222.db2.gz OJRUSQWIWHGNRG-UHFFFAOYSA-N 1 2 280.397 0.563 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CCC1 ZINC000419421635 329727332 /nfs/dbraw/zinc/72/73/32/329727332.db2.gz LSDOZZSEWIRIJO-LBPRGKRZSA-N 1 2 280.372 0.700 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000419912034 329747590 /nfs/dbraw/zinc/74/75/90/329747590.db2.gz GJTCELNOKNFEPM-GFCCVEGCSA-N 1 2 281.356 0.595 20 30 CCEDLO Cc1nn(C(C)(C)C)c(=O)n1C[C@H](O)C[N@H+](C)CCC#N ZINC000424132379 330264473 /nfs/dbraw/zinc/26/44/73/330264473.db2.gz HXEZPPJSCISZLA-GFCCVEGCSA-N 1 2 295.387 0.315 20 30 CCEDLO Cc1nn(C(C)(C)C)c(=O)n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000424132379 330264475 /nfs/dbraw/zinc/26/44/75/330264475.db2.gz HXEZPPJSCISZLA-GFCCVEGCSA-N 1 2 295.387 0.315 20 30 CCEDLO C=CCn1cc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)nn1 ZINC000424212419 330328703 /nfs/dbraw/zinc/32/87/03/330328703.db2.gz OTCGUEFHNFWSGA-VIFPVBQESA-N 1 2 271.271 0.078 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000424587199 330390860 /nfs/dbraw/zinc/39/08/60/330390860.db2.gz GPJVMDYQQHLFER-NSHDSACASA-N 1 2 274.328 0.869 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000451634911 331037573 /nfs/dbraw/zinc/03/75/73/331037573.db2.gz SHCVDXAUPVEUFF-MCIONIFRSA-N 1 2 284.400 0.929 20 30 CCEDLO C=CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000451634911 331037574 /nfs/dbraw/zinc/03/75/74/331037574.db2.gz SHCVDXAUPVEUFF-MCIONIFRSA-N 1 2 284.400 0.929 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000451695667 331039373 /nfs/dbraw/zinc/03/93/73/331039373.db2.gz QSZWLEUVEQQMBS-BARDWOONSA-N 1 2 294.395 0.899 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319541 331169711 /nfs/dbraw/zinc/16/97/11/331169711.db2.gz FXWXQTJDKRDXOM-HZSPNIEDSA-N 1 2 283.416 0.718 20 30 CCEDLO C=CCNC(=O)[C@@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319541 331169712 /nfs/dbraw/zinc/16/97/12/331169712.db2.gz FXWXQTJDKRDXOM-HZSPNIEDSA-N 1 2 283.416 0.718 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000457814215 331235212 /nfs/dbraw/zinc/23/52/12/331235212.db2.gz KBHIYTYMXUCQFJ-VXGBXAGGSA-N 1 2 266.345 0.898 20 30 CCEDLO C#CC[N@@H+](C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000490715373 332103674 /nfs/dbraw/zinc/10/36/74/332103674.db2.gz WOHHXQYXIQSTMP-RYUDHWBXSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CC[N@H+](C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000490715373 332103675 /nfs/dbraw/zinc/10/36/75/332103675.db2.gz WOHHXQYXIQSTMP-RYUDHWBXSA-N 1 2 259.371 0.391 20 30 CCEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000490690498 332104669 /nfs/dbraw/zinc/10/46/69/332104669.db2.gz SAFMSIYOZAIHFV-ZDUSSCGKSA-N 1 2 258.325 0.940 20 30 CCEDLO C#CCN(CC#CC)C(=S)NCC[NH+]1CCOCC1 ZINC000490692387 332105202 /nfs/dbraw/zinc/10/52/02/332105202.db2.gz ZATZGJDHXLMEQQ-UHFFFAOYSA-N 1 2 279.409 0.152 20 30 CCEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000490739632 332110669 /nfs/dbraw/zinc/11/06/69/332110669.db2.gz JNYZGLJBQHFXBF-UHFFFAOYSA-N 1 2 294.314 0.676 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)C2CCCC2)CC1 ZINC000490800309 332116253 /nfs/dbraw/zinc/11/62/53/332116253.db2.gz PNPRTVSCBNUJNC-UHFFFAOYSA-N 1 2 293.367 0.002 20 30 CCEDLO C#CCN(CC#C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490913510 332128379 /nfs/dbraw/zinc/12/83/79/332128379.db2.gz DJBNFTTZKMVQHH-UHFFFAOYSA-N 1 2 264.288 0.976 20 30 CCEDLO C#CC[NH+](CC#C)CCC(=O)NCC(=O)c1ccccc1 ZINC000490935884 332131070 /nfs/dbraw/zinc/13/10/70/332131070.db2.gz OWSBGUVKSMNLKE-UHFFFAOYSA-N 1 2 282.343 0.944 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000491069963 332145729 /nfs/dbraw/zinc/14/57/29/332145729.db2.gz ZKWVSGFOYSGFRH-UHFFFAOYSA-N 1 2 288.351 0.908 20 30 CCEDLO C#CC[N@@H+](CCc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491073393 332147238 /nfs/dbraw/zinc/14/72/38/332147238.db2.gz YQWLDBQCSURXIP-CQSZACIVSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@H+](CCc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491073393 332147239 /nfs/dbraw/zinc/14/72/39/332147239.db2.gz YQWLDBQCSURXIP-CQSZACIVSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@@H+](CCc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491073392 332147296 /nfs/dbraw/zinc/14/72/96/332147296.db2.gz YQWLDBQCSURXIP-AWEZNQCLSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CC[N@H+](CCc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491073392 332147297 /nfs/dbraw/zinc/14/72/97/332147297.db2.gz YQWLDBQCSURXIP-AWEZNQCLSA-N 1 2 295.408 0.568 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000491221673 332169162 /nfs/dbraw/zinc/16/91/62/332169162.db2.gz YTWCLJWVJVIYFV-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CC(C(F)(F)F)C2)CC1 ZINC000491405826 332206030 /nfs/dbraw/zinc/20/60/30/332206030.db2.gz KVSKVTSKTQOKTF-UHFFFAOYSA-N 1 2 289.301 0.258 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000491421004 332208764 /nfs/dbraw/zinc/20/87/64/332208764.db2.gz ZCRMZHQBXOUFKR-SWLSCSKDSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000491421004 332208765 /nfs/dbraw/zinc/20/87/65/332208765.db2.gz ZCRMZHQBXOUFKR-SWLSCSKDSA-N 1 2 295.358 0.018 20 30 CCEDLO C#C[C@@H](C)N(C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000491514125 332226521 /nfs/dbraw/zinc/22/65/21/332226521.db2.gz GWFTXZHIQOKAHO-LLVKDONJSA-N 1 2 273.340 0.213 20 30 CCEDLO C#C[C@@H](C)N(C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000491514125 332226523 /nfs/dbraw/zinc/22/65/23/332226523.db2.gz GWFTXZHIQOKAHO-LLVKDONJSA-N 1 2 273.340 0.213 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCNC2=O)n1 ZINC000491622561 332247529 /nfs/dbraw/zinc/24/75/29/332247529.db2.gz GMHBCCDVCMUOQF-ZDUSSCGKSA-N 1 2 260.341 0.617 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCNC2=O)n1 ZINC000491622561 332247530 /nfs/dbraw/zinc/24/75/30/332247530.db2.gz GMHBCCDVCMUOQF-ZDUSSCGKSA-N 1 2 260.341 0.617 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCCCC(=O)C(=O)OC)CC1 ZINC000491652730 332265583 /nfs/dbraw/zinc/26/55/83/332265583.db2.gz MLRARURSMUUCTD-UHFFFAOYSA-N 1 2 295.335 0.397 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000491664441 332273142 /nfs/dbraw/zinc/27/31/42/332273142.db2.gz SWWPPFHCPFAFNC-UHFFFAOYSA-N 1 2 291.395 0.555 20 30 CCEDLO C#C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)C(C)C ZINC000491810716 332363336 /nfs/dbraw/zinc/36/33/36/332363336.db2.gz AGVCTALCZVRPFP-ZDUSSCGKSA-N 1 2 267.373 0.618 20 30 CCEDLO Cc1c(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C ZINC000493159467 332428611 /nfs/dbraw/zinc/42/86/11/332428611.db2.gz PVWKCCOCBQSOMG-AFNCTOJWSA-N 1 2 275.356 0.702 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000252013085 334373293 /nfs/dbraw/zinc/37/32/93/334373293.db2.gz XVMPRRWUUZGZHU-HZSPNIEDSA-N 1 2 297.399 0.730 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000252013085 334373294 /nfs/dbraw/zinc/37/32/94/334373294.db2.gz XVMPRRWUUZGZHU-HZSPNIEDSA-N 1 2 297.399 0.730 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000174810959 333007624 /nfs/dbraw/zinc/00/76/24/333007624.db2.gz FHPBSOIOKKXXRA-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000174810959 333007625 /nfs/dbraw/zinc/00/76/25/333007625.db2.gz FHPBSOIOKKXXRA-LLVKDONJSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CCCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176576170 333043512 /nfs/dbraw/zinc/04/35/12/333043512.db2.gz DBMZULRLCNYORG-ZDUSSCGKSA-N 1 2 270.373 0.494 20 30 CCEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000543718041 333891186 /nfs/dbraw/zinc/89/11/86/333891186.db2.gz WXJSJTQLCILRHZ-LLVKDONJSA-N 1 2 299.334 0.734 20 30 CCEDLO CC(C)[NH+]1CC(NC(=O)C2(C#N)CCOCC2)C1 ZINC000341338878 335167920 /nfs/dbraw/zinc/16/79/20/335167920.db2.gz HIWRRKJPHCIPTG-UHFFFAOYSA-N 1 2 251.330 0.516 20 30 CCEDLO CNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548864955 334177475 /nfs/dbraw/zinc/17/74/75/334177475.db2.gz TYDSOUYPVJUBCT-UHFFFAOYSA-N 1 2 258.325 0.685 20 30 CCEDLO N#CCN1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000552021311 334277140 /nfs/dbraw/zinc/27/71/40/334277140.db2.gz DZMITWBKWULSQQ-UHFFFAOYSA-N 1 2 286.383 0.718 20 30 CCEDLO COCc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000565052473 334536718 /nfs/dbraw/zinc/53/67/18/334536718.db2.gz YXRMKRGQJHOSBW-LBPRGKRZSA-N 1 2 282.369 0.863 20 30 CCEDLO CCn1nccc1N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000566124907 334625740 /nfs/dbraw/zinc/62/57/40/334625740.db2.gz LKFNKWOPHDUFMH-NSHDSACASA-N 1 2 261.329 0.902 20 30 CCEDLO Cn1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000566976793 334671609 /nfs/dbraw/zinc/67/16/09/334671609.db2.gz POCSWLZTGYKAPO-LBPRGKRZSA-N 1 2 279.300 0.507 20 30 CCEDLO COC(=O)c1coc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000576884270 335260140 /nfs/dbraw/zinc/26/01/40/335260140.db2.gz NMODVBFSUQKTAJ-ZDUSSCGKSA-N 1 2 279.296 0.640 20 30 CCEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NCC#N)o1 ZINC000184803836 335934320 /nfs/dbraw/zinc/93/43/20/335934320.db2.gz MAJCFZPQWGTFAL-NSHDSACASA-N 1 2 265.313 0.759 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000581878756 336157227 /nfs/dbraw/zinc/15/72/27/336157227.db2.gz MPJDMOZIVCZFCI-RYUDHWBXSA-N 1 2 264.329 0.773 20 30 CCEDLO N#Cc1csc(C[NH2+]C[C@@H]2CCCS2(=O)=O)n1 ZINC000386123849 336166659 /nfs/dbraw/zinc/16/66/59/336166659.db2.gz MPLVACPCJPSIQJ-VIFPVBQESA-N 1 2 271.367 0.682 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000329184295 533898254 /nfs/dbraw/zinc/89/82/54/533898254.db2.gz PDFABLWBCFTUBD-VXGBXAGGSA-N 1 2 271.361 0.390 20 30 CCEDLO Cc1cc(NC[C@@H]2CC[C@H](C(N)=O)O2)c(C#N)c[nH+]1 ZINC000425233270 534034705 /nfs/dbraw/zinc/03/47/05/534034705.db2.gz GISKKQCCDYLHSE-CMPLNLGQSA-N 1 2 260.297 0.128 20 30 CCEDLO C[C@H](O)CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000354836349 534053002 /nfs/dbraw/zinc/05/30/02/534053002.db2.gz NIPVUORYBKEPAA-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@H](O)CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000354836349 534053008 /nfs/dbraw/zinc/05/30/08/534053008.db2.gz NIPVUORYBKEPAA-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO C[C@H](O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000354836349 534053013 /nfs/dbraw/zinc/05/30/13/534053013.db2.gz NIPVUORYBKEPAA-AWEZNQCLSA-N 1 2 269.389 0.695 20 30 CCEDLO COC(=O)c1cn(CCNc2cc(C)[nH+]cc2C#N)nn1 ZINC000425252762 534303022 /nfs/dbraw/zinc/30/30/22/534303022.db2.gz JDPMJQDAVWXMRR-UHFFFAOYSA-N 1 2 286.295 0.174 20 30 CCEDLO Cn1nnc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000330301208 534324668 /nfs/dbraw/zinc/32/46/68/534324668.db2.gz IXRHSZUBIGLXGG-VIFPVBQESA-N 1 2 290.331 0.574 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000332576801 534781135 /nfs/dbraw/zinc/78/11/35/534781135.db2.gz GOXZCFCUAPBCPR-GFCCVEGCSA-N 1 2 270.292 0.294 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000332576801 534781141 /nfs/dbraw/zinc/78/11/41/534781141.db2.gz GOXZCFCUAPBCPR-GFCCVEGCSA-N 1 2 270.292 0.294 20 30 CCEDLO N#Cc1cnc(NCCC[N@@H+]2CCNC(=O)C2)c(F)c1 ZINC000413210683 534826295 /nfs/dbraw/zinc/82/62/95/534826295.db2.gz WORXCIOFYDUTBZ-UHFFFAOYSA-N 1 2 277.303 0.326 20 30 CCEDLO N#Cc1cnc(NCCC[N@H+]2CCNC(=O)C2)c(F)c1 ZINC000413210683 534826301 /nfs/dbraw/zinc/82/63/01/534826301.db2.gz WORXCIOFYDUTBZ-UHFFFAOYSA-N 1 2 277.303 0.326 20 30 CCEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(=O)n(C)[nH]1 ZINC000347796663 526327924 /nfs/dbraw/zinc/32/79/24/526327924.db2.gz MOBDCRFTSXNHCF-UHFFFAOYSA-N 1 2 262.313 0.932 20 30 CCEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(=O)n(C)[nH]1 ZINC000347796663 526327931 /nfs/dbraw/zinc/32/79/31/526327931.db2.gz MOBDCRFTSXNHCF-UHFFFAOYSA-N 1 2 262.313 0.932 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000347328053 526508841 /nfs/dbraw/zinc/50/88/41/526508841.db2.gz GIBQPKTXEIESGS-AAEUAGOBSA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@](F)(CO)C2)C1=O ZINC000347328053 526508842 /nfs/dbraw/zinc/50/88/42/526508842.db2.gz GIBQPKTXEIESGS-AAEUAGOBSA-N 1 2 256.321 0.570 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335979046 526509974 /nfs/dbraw/zinc/50/99/74/526509974.db2.gz IZDKZHKKQJHJLW-NEPJUHHUSA-N 1 2 263.341 0.080 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000335979046 526509980 /nfs/dbraw/zinc/50/99/80/526509980.db2.gz IZDKZHKKQJHJLW-NEPJUHHUSA-N 1 2 263.341 0.080 20 30 CCEDLO CC(=O)N1CC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329217813 526511058 /nfs/dbraw/zinc/51/10/58/526511058.db2.gz QVUGVVHGSNCSBH-GFCCVEGCSA-N 1 2 279.344 0.210 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000331522779 526610218 /nfs/dbraw/zinc/61/02/18/526610218.db2.gz SQPKZPKNCJPCKY-GMXVVIOVSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000331522779 526610222 /nfs/dbraw/zinc/61/02/22/526610222.db2.gz SQPKZPKNCJPCKY-GMXVVIOVSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347615085 526704822 /nfs/dbraw/zinc/70/48/22/526704822.db2.gz SLVMYRPTTHEHQA-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347615085 526704825 /nfs/dbraw/zinc/70/48/25/526704825.db2.gz SLVMYRPTTHEHQA-LBPRGKRZSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCOCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000354916343 526726921 /nfs/dbraw/zinc/72/69/21/526726921.db2.gz SIFWSMKGYPEIGN-UHFFFAOYSA-N 1 2 294.355 0.356 20 30 CCEDLO C=CCOCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000666522799 545124899 /nfs/dbraw/zinc/12/48/99/545124899.db2.gz GQPGXBXSPOLQGJ-UHFFFAOYSA-N 1 2 285.388 0.553 20 30 CCEDLO C=CCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000332225525 527071139 /nfs/dbraw/zinc/07/11/39/527071139.db2.gz YZVZIQKPQCQZFF-GFCCVEGCSA-N 1 2 279.384 0.764 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000353209322 527448827 /nfs/dbraw/zinc/44/88/27/527448827.db2.gz SUSURZPGMKFAFV-ZDUSSCGKSA-N 1 2 295.383 0.486 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCNC1=O ZINC000331500166 527917872 /nfs/dbraw/zinc/91/78/72/527917872.db2.gz QSJZHGPUIUFZAL-BXUZGUMPSA-N 1 2 278.356 0.005 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCNC1=O ZINC000331500166 527917876 /nfs/dbraw/zinc/91/78/76/527917876.db2.gz QSJZHGPUIUFZAL-BXUZGUMPSA-N 1 2 278.356 0.005 20 30 CCEDLO CC[C@H]1C[N@H+](CCNC(=O)CSCC#N)CCO1 ZINC000347641656 529292235 /nfs/dbraw/zinc/29/22/35/529292235.db2.gz FCFNYCVKFKBHHD-NSHDSACASA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@H]1C[N@@H+](CCNC(=O)CSCC#N)CCO1 ZINC000347641656 529292238 /nfs/dbraw/zinc/29/22/38/529292238.db2.gz FCFNYCVKFKBHHD-NSHDSACASA-N 1 2 271.386 0.470 20 30 CCEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331470269 529362660 /nfs/dbraw/zinc/36/26/60/529362660.db2.gz WBVSQOGDNHTAKF-CYBMUJFWSA-N 1 2 278.400 0.822 20 30 CCEDLO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977508 545355895 /nfs/dbraw/zinc/35/58/95/545355895.db2.gz OXTDWXLMROFQMQ-UWVGGRQHSA-N 1 2 252.318 0.627 20 30 CCEDLO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676977508 545355896 /nfs/dbraw/zinc/35/58/96/545355896.db2.gz OXTDWXLMROFQMQ-UWVGGRQHSA-N 1 2 252.318 0.627 20 30 CCEDLO COCC#CC[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677818547 545373535 /nfs/dbraw/zinc/37/35/35/545373535.db2.gz BTQYGSVLEFYXLD-ZDUSSCGKSA-N 1 2 289.397 0.162 20 30 CCEDLO COCC#CC[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000677818547 545373536 /nfs/dbraw/zinc/37/35/36/545373536.db2.gz BTQYGSVLEFYXLD-ZDUSSCGKSA-N 1 2 289.397 0.162 20 30 CCEDLO COCC#CC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000677819597 545373672 /nfs/dbraw/zinc/37/36/72/545373672.db2.gz CUPWUULASWXWCZ-UHFFFAOYSA-N 1 2 263.316 0.993 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682522091 545482084 /nfs/dbraw/zinc/48/20/84/545482084.db2.gz JEWRDTGOECJFNV-NEPJUHHUSA-N 1 2 263.341 0.746 20 30 CCEDLO CCN1C(=O)CN(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779878420 581212254 /nfs/dbraw/zinc/21/22/54/581212254.db2.gz ABWAIIVMMGTWKP-UHFFFAOYSA-N 1 2 264.329 0.854 20 30 CCEDLO C=C(CO)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000791309284 581213238 /nfs/dbraw/zinc/21/32/38/581213238.db2.gz WBXURMQTYDGZIX-UHFFFAOYSA-N 1 2 261.325 0.274 20 30 CCEDLO COC/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000791345829 581216081 /nfs/dbraw/zinc/21/60/81/581216081.db2.gz SFJZGVJMNYWHEJ-DUXPYHPUSA-N 1 2 281.356 0.263 20 30 CCEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCCO1 ZINC000775806471 581179686 /nfs/dbraw/zinc/17/96/86/581179686.db2.gz LPAMVZKWUMZKBV-RKDXNWHRSA-N 1 2 266.326 0.247 20 30 CCEDLO C=C(CO)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000791317560 581214594 /nfs/dbraw/zinc/21/45/94/581214594.db2.gz PYFMBLXPZAFPBS-UHFFFAOYSA-N 1 2 258.281 0.432 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@H](C2CC2)O1 ZINC000791553331 581224485 /nfs/dbraw/zinc/22/44/85/581224485.db2.gz NBODLKZQSBEQCZ-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)C[C@H](C2CC2)O1 ZINC000791553331 581224486 /nfs/dbraw/zinc/22/44/86/581224486.db2.gz NBODLKZQSBEQCZ-CMPLNLGQSA-N 1 2 251.330 0.516 20 30 CCEDLO N#Cc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000780623692 581237463 /nfs/dbraw/zinc/23/74/63/581237463.db2.gz XHDRPHKBTLFUSS-GFCCVEGCSA-N 1 2 296.334 0.964 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000780980646 581254164 /nfs/dbraw/zinc/25/41/64/581254164.db2.gz STKNHAIBIQBPKX-CYBMUJFWSA-N 1 2 286.379 0.600 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000780980646 581254165 /nfs/dbraw/zinc/25/41/65/581254165.db2.gz STKNHAIBIQBPKX-CYBMUJFWSA-N 1 2 286.379 0.600 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000793187264 581287461 /nfs/dbraw/zinc/28/74/61/581287461.db2.gz HBNZTWOLSTYSQQ-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO N#Cc1cccnc1NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000793187264 581287463 /nfs/dbraw/zinc/28/74/63/581287463.db2.gz HBNZTWOLSTYSQQ-UHFFFAOYSA-N 1 2 284.323 0.837 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc(C#N)c[nH]1 ZINC000782280464 581295730 /nfs/dbraw/zinc/29/57/30/581295730.db2.gz MJVZXHOSDGRKGT-SNVBAGLBSA-N 1 2 263.297 0.764 20 30 CCEDLO C=CCNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795134117 581321151 /nfs/dbraw/zinc/32/11/51/581321151.db2.gz YRUNJEAVIDGCCS-NWDGAFQWSA-N 1 2 269.414 0.842 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000783598391 581350853 /nfs/dbraw/zinc/35/08/53/581350853.db2.gz PWQHLTLTKHRVDP-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000783598391 581350855 /nfs/dbraw/zinc/35/08/55/581350855.db2.gz PWQHLTLTKHRVDP-UHFFFAOYSA-N 1 2 283.335 0.739 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000796605812 581358637 /nfs/dbraw/zinc/35/86/37/581358637.db2.gz KZWSGYVYINKGEC-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000796605812 581358639 /nfs/dbraw/zinc/35/86/39/581358639.db2.gz KZWSGYVYINKGEC-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000795123212 581398905 /nfs/dbraw/zinc/39/89/05/581398905.db2.gz QKRKGKDPGPOQDB-STQMWFEESA-N 1 2 293.411 0.703 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)C[C@@]2(CCOC2)O1 ZINC000796560231 581443510 /nfs/dbraw/zinc/44/35/10/581443510.db2.gz SJGQYVYZGZRABO-CQSZACIVSA-N 1 2 281.356 0.286 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)C[C@@]2(CCOC2)O1 ZINC000796560231 581443513 /nfs/dbraw/zinc/44/35/13/581443513.db2.gz SJGQYVYZGZRABO-CQSZACIVSA-N 1 2 281.356 0.286 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000796603418 581445980 /nfs/dbraw/zinc/44/59/80/581445980.db2.gz JAUBTJNMOYZKEZ-BFUOFWGJSA-N 1 2 285.413 0.449 20 30 CCEDLO Cc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)nc1C#N ZINC000786784633 581448991 /nfs/dbraw/zinc/44/89/91/581448991.db2.gz DIMZHODASKQYDM-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000786973597 581455145 /nfs/dbraw/zinc/45/51/45/581455145.db2.gz RCOZHQYASJWAQU-OLZOCXBDSA-N 1 2 277.368 0.056 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC000787352298 581468901 /nfs/dbraw/zinc/46/89/01/581468901.db2.gz ZVDNYNWSMVOXRL-UHFFFAOYSA-N 1 2 273.336 0.497 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000765584192 581526119 /nfs/dbraw/zinc/52/61/19/581526119.db2.gz OINWFUCMFKBTAG-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO C#CCOCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000753378263 581537612 /nfs/dbraw/zinc/53/76/12/581537612.db2.gz FYZRASQALXIQGL-GFCCVEGCSA-N 1 2 276.340 0.949 20 30 CCEDLO C=CCNC(=S)NCC1([NH+]2CCOCC2)CC1 ZINC000765975623 581543846 /nfs/dbraw/zinc/54/38/46/581543846.db2.gz HJRQUFHYDMPJKS-UHFFFAOYSA-N 1 2 255.387 0.501 20 30 CCEDLO C#CCCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766064504 581548595 /nfs/dbraw/zinc/54/85/95/581548595.db2.gz OXYKMNNNBSPFAJ-UHFFFAOYSA-N 1 2 288.413 0.432 20 30 CCEDLO CC[C@H]1C[N@H+](CC(=O)NCCC#N)CCN1CC(F)F ZINC000766266373 581560620 /nfs/dbraw/zinc/56/06/20/581560620.db2.gz AROUKONKCMDBBX-NSHDSACASA-N 1 2 288.342 0.678 20 30 CCEDLO CC[C@H]1C[N@@H+](CC(=O)NCCC#N)CCN1CC(F)F ZINC000766266373 581560621 /nfs/dbraw/zinc/56/06/21/581560621.db2.gz AROUKONKCMDBBX-NSHDSACASA-N 1 2 288.342 0.678 20 30 CCEDLO C#CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000753908335 581564738 /nfs/dbraw/zinc/56/47/38/581564738.db2.gz JBJBXOQSFWODKG-UHFFFAOYSA-N 1 2 268.320 0.612 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nc1 ZINC000729449469 581594223 /nfs/dbraw/zinc/59/42/23/581594223.db2.gz USJRLDMJNZQQAV-CHWSQXEVSA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)nc1 ZINC000729449472 581594436 /nfs/dbraw/zinc/59/44/36/581594436.db2.gz USJRLDMJNZQQAV-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO COC[C@@H](C)NC(=S)NN=Cc1c[nH+]cn1C ZINC000755526750 581644212 /nfs/dbraw/zinc/64/42/12/581644212.db2.gz PNRWTKWZJLRSDM-MRVPVSSYSA-N 1 2 255.347 0.253 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccoc2)CC1 ZINC000768215408 581648584 /nfs/dbraw/zinc/64/85/84/581648584.db2.gz GKZMYQPKECFILJ-UHFFFAOYSA-N 1 2 263.341 0.699 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1ccco1 ZINC000730276464 581689786 /nfs/dbraw/zinc/68/97/86/581689786.db2.gz NBTJLFZLLTYISP-NWDGAFQWSA-N 1 2 262.309 0.527 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1ccco1 ZINC000730276464 581689789 /nfs/dbraw/zinc/68/97/89/581689789.db2.gz NBTJLFZLLTYISP-NWDGAFQWSA-N 1 2 262.309 0.527 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000757859843 581712373 /nfs/dbraw/zinc/71/23/73/581712373.db2.gz GQWYYXYPBWVUDS-GFCCVEGCSA-N 1 2 273.336 0.284 20 30 CCEDLO C#CCNC(=O)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000757859843 581712377 /nfs/dbraw/zinc/71/23/77/581712377.db2.gz GQWYYXYPBWVUDS-GFCCVEGCSA-N 1 2 273.336 0.284 20 30 CCEDLO CC[N@H+](CCC(=O)OC)Cn1cccc(C#N)c1=O ZINC000758224294 581729097 /nfs/dbraw/zinc/72/90/97/581729097.db2.gz STKUAILZBFKHTO-UHFFFAOYSA-N 1 2 263.297 0.562 20 30 CCEDLO CC[N@@H+](CCC(=O)OC)Cn1cccc(C#N)c1=O ZINC000758224294 581729099 /nfs/dbraw/zinc/72/90/99/581729099.db2.gz STKUAILZBFKHTO-UHFFFAOYSA-N 1 2 263.297 0.562 20 30 CCEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000741161272 581732354 /nfs/dbraw/zinc/73/23/54/581732354.db2.gz NJNDOXGBXTXSCP-UHFFFAOYSA-N 1 2 284.429 0.959 20 30 CCEDLO C#CCN1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770417339 581742539 /nfs/dbraw/zinc/74/25/39/581742539.db2.gz SWKSLKUCVVBRFR-UHFFFAOYSA-N 1 2 268.320 0.725 20 30 CCEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCCn1cc[nH+]c1 ZINC000758829292 581770402 /nfs/dbraw/zinc/77/04/02/581770402.db2.gz HIPNNGZVBJNDDP-UHFFFAOYSA-N 1 2 291.336 0.514 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000732054602 581799237 /nfs/dbraw/zinc/79/92/37/581799237.db2.gz XUEOTOULGZFGHD-ZDUSSCGKSA-N 1 2 271.320 0.822 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000732054602 581799241 /nfs/dbraw/zinc/79/92/41/581799241.db2.gz XUEOTOULGZFGHD-ZDUSSCGKSA-N 1 2 271.320 0.822 20 30 CCEDLO Cc1ccoc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000743425839 581811844 /nfs/dbraw/zinc/81/18/44/581811844.db2.gz YHVAMFNAZCEESN-UHFFFAOYSA-N 1 2 296.396 0.718 20 30 CCEDLO C=CC[N@@H+](Cn1cc(S(=O)(=O)N(C)C)cn1)C1CC1 ZINC000771641092 581814815 /nfs/dbraw/zinc/81/48/15/581814815.db2.gz UBZGMNHQRHOONF-UHFFFAOYSA-N 1 2 284.385 0.741 20 30 CCEDLO C=CC[N@H+](Cn1cc(S(=O)(=O)N(C)C)cn1)C1CC1 ZINC000771641092 581814816 /nfs/dbraw/zinc/81/48/16/581814816.db2.gz UBZGMNHQRHOONF-UHFFFAOYSA-N 1 2 284.385 0.741 20 30 CCEDLO C#CCNC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000759692537 581815806 /nfs/dbraw/zinc/81/58/06/581815806.db2.gz CZGZUASUOORVTK-UHFFFAOYSA-N 1 2 272.352 0.261 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COC2CCCC2)CC1 ZINC000744419068 581841693 /nfs/dbraw/zinc/84/16/93/581841693.db2.gz LYAPMYPZMKRVEG-UHFFFAOYSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@@H]2CCOC2)CC1 ZINC000772109283 581843193 /nfs/dbraw/zinc/84/31/93/581843193.db2.gz AEILRDGWVHQKMX-CYBMUJFWSA-N 1 2 279.336 0.480 20 30 CCEDLO C#CCCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000760369111 581856669 /nfs/dbraw/zinc/85/66/69/581856669.db2.gz SUAFOORBPJXIOE-UHFFFAOYSA-N 1 2 275.356 0.226 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745085686 581864772 /nfs/dbraw/zinc/86/47/72/581864772.db2.gz BKFURJWWILPGKN-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745085686 581864773 /nfs/dbraw/zinc/86/47/73/581864773.db2.gz BKFURJWWILPGKN-NSHDSACASA-N 1 2 252.314 0.153 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000745800533 581886377 /nfs/dbraw/zinc/88/63/77/581886377.db2.gz BLHDCEIMRJVDLP-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000745800533 581886378 /nfs/dbraw/zinc/88/63/78/581886378.db2.gz BLHDCEIMRJVDLP-GFCCVEGCSA-N 1 2 253.346 0.420 20 30 CCEDLO C#C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCCO1 ZINC000772885877 581895656 /nfs/dbraw/zinc/89/56/56/581895656.db2.gz BQIJRVRVDQCMAT-ZIAGYGMSSA-N 1 2 292.379 0.538 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000755178117 581895897 /nfs/dbraw/zinc/89/58/97/581895897.db2.gz NKJFPTWDJHZLKB-GFCCVEGCSA-N 1 2 283.335 0.667 20 30 CCEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1csnn1 ZINC000761840235 581921831 /nfs/dbraw/zinc/92/18/31/581921831.db2.gz ZTILCOCNEZXRQB-UHFFFAOYSA-N 1 2 272.297 0.960 20 30 CCEDLO Cn1nccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858741 581922350 /nfs/dbraw/zinc/92/23/50/581922350.db2.gz YRCWQIJIRQFOJQ-UHFFFAOYSA-N 1 2 268.284 0.842 20 30 CCEDLO C#CCCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000774235835 581966158 /nfs/dbraw/zinc/96/61/58/581966158.db2.gz MMAADCZGOSVLDA-UHFFFAOYSA-N 1 2 270.292 0.721 20 30 CCEDLO COCC#CC[N@H+](C)CC(=O)NCc1ccco1 ZINC000762917749 581971529 /nfs/dbraw/zinc/97/15/29/581971529.db2.gz NJZSVRRZTZPYHJ-UHFFFAOYSA-N 1 2 250.298 0.477 20 30 CCEDLO COCC#CC[N@@H+](C)CC(=O)NCc1ccco1 ZINC000762917749 581971532 /nfs/dbraw/zinc/97/15/32/581971532.db2.gz NJZSVRRZTZPYHJ-UHFFFAOYSA-N 1 2 250.298 0.477 20 30 CCEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748459226 581976813 /nfs/dbraw/zinc/97/68/13/581976813.db2.gz OXMMPMIYMPPSBU-ZDUSSCGKSA-N 1 2 298.383 0.675 20 30 CCEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748459226 581976815 /nfs/dbraw/zinc/97/68/15/581976815.db2.gz OXMMPMIYMPPSBU-ZDUSSCGKSA-N 1 2 298.383 0.675 20 30 CCEDLO C[C@@]1(O)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000748832285 581989477 /nfs/dbraw/zinc/98/94/77/581989477.db2.gz GJHFAEAISWQUFT-MRXNPFEDSA-N 1 2 298.346 0.877 20 30 CCEDLO C[C@@]1(O)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000748832285 581989479 /nfs/dbraw/zinc/98/94/79/581989479.db2.gz GJHFAEAISWQUFT-MRXNPFEDSA-N 1 2 298.346 0.877 20 30 CCEDLO C[C@H](CO)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000749821156 582023988 /nfs/dbraw/zinc/02/39/88/582023988.db2.gz OBVBNXMQNPJWAN-MRVPVSSYSA-N 1 2 298.778 0.617 20 30 CCEDLO C#C[C@H]([NH2+]CC(=O)Nc1cc(C)no1)[C@H]1CCCO1 ZINC000775799557 582040224 /nfs/dbraw/zinc/04/02/24/582040224.db2.gz NRMCXVRCQBPQLG-WDEREUQCSA-N 1 2 263.297 0.692 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775860216 582043641 /nfs/dbraw/zinc/04/36/41/582043641.db2.gz XMGVETHBFOUPEJ-UHFFFAOYSA-N 1 2 291.273 0.860 20 30 CCEDLO C#C[C@H](NC(=O)N1CCn2cc(C)[nH+]c2C1)[C@H]1CCCO1 ZINC000776231809 582063119 /nfs/dbraw/zinc/06/31/19/582063119.db2.gz QTHYCHCLBXYQSZ-QWHCGFSZSA-N 1 2 288.351 0.898 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CCOCC2CC2)CC1 ZINC000751381423 582077504 /nfs/dbraw/zinc/07/75/04/582077504.db2.gz AOMNDCKOHKXWBM-UHFFFAOYSA-N 1 2 250.342 0.581 20 30 CCEDLO CC(C)CN(CCC#N)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000751380456 582077518 /nfs/dbraw/zinc/07/75/18/582077518.db2.gz BQAGUSAVAQHEPL-UHFFFAOYSA-N 1 2 296.415 0.841 20 30 CCEDLO CC(C)CN(CCC#N)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000751380456 582077519 /nfs/dbraw/zinc/07/75/19/582077519.db2.gz BQAGUSAVAQHEPL-UHFFFAOYSA-N 1 2 296.415 0.841 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nn1cc(Br)cn1 ZINC000765101626 582089617 /nfs/dbraw/zinc/08/96/17/582089617.db2.gz NPRMAIHJCOGGIK-JTQLQIEISA-N 1 2 297.156 0.813 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nn1cc(Br)cn1 ZINC000765101626 582089619 /nfs/dbraw/zinc/08/96/19/582089619.db2.gz NPRMAIHJCOGGIK-JTQLQIEISA-N 1 2 297.156 0.813 20 30 CCEDLO C#CCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852153233 612981489 /nfs/dbraw/zinc/98/14/89/612981489.db2.gz CVIMJIGQLWDZCL-ZDUSSCGKSA-N 1 2 265.357 0.516 20 30 CCEDLO C#CCSCC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000889858281 613010224 /nfs/dbraw/zinc/01/02/24/613010224.db2.gz CLSHGEVCCCNKTO-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CCSCC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000889858281 613010225 /nfs/dbraw/zinc/01/02/25/613010225.db2.gz CLSHGEVCCCNKTO-LBPRGKRZSA-N 1 2 298.408 0.449 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000931146783 612952938 /nfs/dbraw/zinc/95/29/38/612952938.db2.gz RGQYMAQCCPMQLL-NSHDSACASA-N 1 2 274.324 0.264 20 30 CCEDLO C#CCNC(=S)NCC[N@H+]1CCOC[C@H]1CC ZINC000871688920 612953370 /nfs/dbraw/zinc/95/33/70/612953370.db2.gz UPXGUJPRWRBDBD-LLVKDONJSA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCNC(=S)NCC[N@@H+]1CCOC[C@H]1CC ZINC000871688920 612953372 /nfs/dbraw/zinc/95/33/72/612953372.db2.gz UPXGUJPRWRBDBD-LLVKDONJSA-N 1 2 255.387 0.195 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000880587583 614184177 /nfs/dbraw/zinc/18/41/77/614184177.db2.gz MTKOBGBLLUTKFI-SWLSCSKDSA-N 1 2 296.415 0.873 20 30 CCEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000880587583 614184178 /nfs/dbraw/zinc/18/41/78/614184178.db2.gz MTKOBGBLLUTKFI-SWLSCSKDSA-N 1 2 296.415 0.873 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000942084660 617289067 /nfs/dbraw/zinc/28/90/67/617289067.db2.gz DKETUFDCRDPOKG-NSHDSACASA-N 1 2 289.339 0.173 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000806905618 612966667 /nfs/dbraw/zinc/96/66/67/612966667.db2.gz QOJCCUSIGHBUBJ-UHFFFAOYSA-N 1 2 299.378 0.085 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC000880482982 612973952 /nfs/dbraw/zinc/97/39/52/612973952.db2.gz XVBBTCSRROHAGZ-UHFFFAOYSA-N 1 2 262.357 0.957 20 30 CCEDLO C#CCCCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846616463 612975409 /nfs/dbraw/zinc/97/54/09/612975409.db2.gz ABHPGNFNRQWVIR-UHFFFAOYSA-N 1 2 296.411 0.987 20 30 CCEDLO C#CCOCC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000809969130 612981697 /nfs/dbraw/zinc/98/16/97/612981697.db2.gz NOPMAWOSYAEIFQ-UHFFFAOYSA-N 1 2 282.365 0.416 20 30 CCEDLO C#CCOCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000809969130 612981698 /nfs/dbraw/zinc/98/16/98/612981698.db2.gz NOPMAWOSYAEIFQ-UHFFFAOYSA-N 1 2 282.365 0.416 20 30 CCEDLO C#CCOCC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851841627 612981802 /nfs/dbraw/zinc/98/18/02/612981802.db2.gz VYNHYNFQAVICLU-GFCCVEGCSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CCOCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851841627 612981804 /nfs/dbraw/zinc/98/18/04/612981804.db2.gz VYNHYNFQAVICLU-GFCCVEGCSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CCCN(CCOC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000854007202 612987874 /nfs/dbraw/zinc/98/78/74/612987874.db2.gz OVEQRROJHVZTNS-CYBMUJFWSA-N 1 2 290.367 0.879 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(CC=C)nn2)C1 ZINC000952425104 612992848 /nfs/dbraw/zinc/99/28/48/612992848.db2.gz GYWAAZYSPXTNAC-UHFFFAOYSA-N 1 2 287.367 0.634 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(CC)nn2)C1 ZINC000957054003 612992920 /nfs/dbraw/zinc/99/29/20/612992920.db2.gz XIWIEZWUFAGMCX-UHFFFAOYSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncnc2)C1 ZINC000949944816 612993049 /nfs/dbraw/zinc/99/30/49/612993049.db2.gz ZEQPLSSOJDRJNR-UHFFFAOYSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000948657899 613010814 /nfs/dbraw/zinc/01/08/14/613010814.db2.gz VJHPMIGHLZSJPI-UHFFFAOYSA-N 1 2 272.352 0.610 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000863781447 613021852 /nfs/dbraw/zinc/02/18/52/613021852.db2.gz LWTKBSXCEDLWSY-OLZOCXBDSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000863783862 613021899 /nfs/dbraw/zinc/02/18/99/613021899.db2.gz VQRMSQALCPQVTL-OLZOCXBDSA-N 1 2 275.352 0.990 20 30 CCEDLO C#CC[C@@H](CO)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000816672550 613028155 /nfs/dbraw/zinc/02/81/55/613028155.db2.gz CRHYATWYKYFZNK-GJZGRUSLSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000858283819 613063182 /nfs/dbraw/zinc/06/31/82/613063182.db2.gz SAZRDEMMTKHFBL-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H](COC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000858283819 613063183 /nfs/dbraw/zinc/06/31/83/613063183.db2.gz SAZRDEMMTKHFBL-CHWSQXEVSA-N 1 2 283.372 0.045 20 30 CCEDLO C#C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935675877 613079431 /nfs/dbraw/zinc/07/94/31/613079431.db2.gz XZFHUSDZTNJUPY-MCIONIFRSA-N 1 2 280.368 0.346 20 30 CCEDLO C#C[C@@H]([C@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804178709 613101277 /nfs/dbraw/zinc/10/12/77/613101277.db2.gz VPNTUKMIBHBPHR-SDDRHHMPSA-N 1 2 288.307 0.053 20 30 CCEDLO C#C[C@@H]([C@H]1CCCO1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804178709 613101278 /nfs/dbraw/zinc/10/12/78/613101278.db2.gz VPNTUKMIBHBPHR-SDDRHHMPSA-N 1 2 288.307 0.053 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000821771639 613109574 /nfs/dbraw/zinc/10/95/74/613109574.db2.gz IXFRDPYLHMGXRX-SECBINFHSA-N 1 2 256.252 0.478 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000981731466 613168455 /nfs/dbraw/zinc/16/84/55/613168455.db2.gz JYQDTTLCHTWGSC-ZDUSSCGKSA-N 1 2 299.374 0.690 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000981731466 613168457 /nfs/dbraw/zinc/16/84/57/613168457.db2.gz JYQDTTLCHTWGSC-ZDUSSCGKSA-N 1 2 299.374 0.690 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000885512688 613176124 /nfs/dbraw/zinc/17/61/24/613176124.db2.gz XXHXIIJRMNLRLP-QWHCGFSZSA-N 1 2 285.413 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000885512688 613176125 /nfs/dbraw/zinc/17/61/25/613176125.db2.gz XXHXIIJRMNLRLP-QWHCGFSZSA-N 1 2 285.413 0.260 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000855412012 613178628 /nfs/dbraw/zinc/17/86/28/613178628.db2.gz ROVLBXWAKATXCB-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000855412012 613178630 /nfs/dbraw/zinc/17/86/30/613178630.db2.gz ROVLBXWAKATXCB-STQMWFEESA-N 1 2 287.363 0.902 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C(=O)OC)co1 ZINC000846480130 613199726 /nfs/dbraw/zinc/19/97/26/613199726.db2.gz ZJGIHCQLPZFNOT-NSHDSACASA-N 1 2 291.307 0.175 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C(=O)OC)co1 ZINC000846480130 613199727 /nfs/dbraw/zinc/19/97/27/613199727.db2.gz ZJGIHCQLPZFNOT-NSHDSACASA-N 1 2 291.307 0.175 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000854758936 613200501 /nfs/dbraw/zinc/20/05/01/613200501.db2.gz CGPMBROTKMFCTJ-QWRGUYRKSA-N 1 2 273.340 0.334 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000854758936 613200502 /nfs/dbraw/zinc/20/05/02/613200502.db2.gz CGPMBROTKMFCTJ-QWRGUYRKSA-N 1 2 273.340 0.334 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(OC)OC ZINC000839736407 613200681 /nfs/dbraw/zinc/20/06/81/613200681.db2.gz AYOYYQBYGLWGFD-RYUDHWBXSA-N 1 2 268.357 0.598 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(OC)OC ZINC000839736407 613200683 /nfs/dbraw/zinc/20/06/83/613200683.db2.gz AYOYYQBYGLWGFD-RYUDHWBXSA-N 1 2 268.357 0.598 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1noc2c1COCC2 ZINC000886964107 613200961 /nfs/dbraw/zinc/20/09/61/613200961.db2.gz HIQWMVKBXVFEBB-ZDUSSCGKSA-N 1 2 289.335 0.461 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1noc2c1COCC2 ZINC000886964107 613200963 /nfs/dbraw/zinc/20/09/63/613200963.db2.gz HIQWMVKBXVFEBB-ZDUSSCGKSA-N 1 2 289.335 0.461 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000899654865 613201191 /nfs/dbraw/zinc/20/11/91/613201191.db2.gz KBNBDPOKCSYMEL-KKUMJFAQSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000899654865 613201192 /nfs/dbraw/zinc/20/11/92/613201192.db2.gz KBNBDPOKCSYMEL-KKUMJFAQSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1csnn1 ZINC000910469771 613201965 /nfs/dbraw/zinc/20/19/65/613201965.db2.gz NYGQCBFFRHGELX-KOLCDFICSA-N 1 2 264.354 0.813 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1csnn1 ZINC000910469771 613201966 /nfs/dbraw/zinc/20/19/66/613201966.db2.gz NYGQCBFFRHGELX-KOLCDFICSA-N 1 2 264.354 0.813 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CO)c(CO)c1 ZINC000898814741 613203464 /nfs/dbraw/zinc/20/34/64/613203464.db2.gz COBGGHJDDHYMGJ-HNNXBMFYSA-N 1 2 288.347 0.707 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CO)c(CO)c1 ZINC000898814741 613203465 /nfs/dbraw/zinc/20/34/65/613203465.db2.gz COBGGHJDDHYMGJ-HNNXBMFYSA-N 1 2 288.347 0.707 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950434116 613206972 /nfs/dbraw/zinc/20/69/72/613206972.db2.gz WQMQNCSEMXKQCB-GFCCVEGCSA-N 1 2 272.352 0.607 20 30 CCEDLO C#Cc1cnc(N2CCN(c3cc[nH+]c(C)n3)CC2)nc1 ZINC000827912953 613209581 /nfs/dbraw/zinc/20/95/81/613209581.db2.gz OQDGMHYDCYSNJY-UHFFFAOYSA-N 1 2 280.335 0.883 20 30 CCEDLO C#CC[NH+]1CCN(Cn2nnc(-c3cscn3)n2)CC1 ZINC000902041140 613209761 /nfs/dbraw/zinc/20/97/61/613209761.db2.gz KRSRMAIXLAEPLO-UHFFFAOYSA-N 1 2 289.368 0.005 20 30 CCEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000804439932 613215877 /nfs/dbraw/zinc/21/58/77/613215877.db2.gz NVCFKPTYTMEWLR-CZUORRHYSA-N 1 2 299.374 0.998 20 30 CCEDLO C/C(=C/C(=O)N(CC#N)C1CC1)C[NH+]1CCOCC1 ZINC000900361107 613227833 /nfs/dbraw/zinc/22/78/33/613227833.db2.gz YZVOTVJLPWRNAQ-BENRWUELSA-N 1 2 263.341 0.779 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751395 613299054 /nfs/dbraw/zinc/29/90/54/613299054.db2.gz INZMTUYIHWEZKZ-MCIONIFRSA-N 1 2 293.411 0.165 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751395 613299056 /nfs/dbraw/zinc/29/90/56/613299056.db2.gz INZMTUYIHWEZKZ-MCIONIFRSA-N 1 2 293.411 0.165 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC000948784265 613320521 /nfs/dbraw/zinc/32/05/21/613320521.db2.gz BFCDSFMQNXVKED-UHFFFAOYSA-N 1 2 276.340 0.609 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000949271575 613320724 /nfs/dbraw/zinc/32/07/24/613320724.db2.gz FGSUKOXHHJWBJM-UHFFFAOYSA-N 1 2 286.339 0.458 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC000949235666 613321165 /nfs/dbraw/zinc/32/11/65/613321165.db2.gz WBOYALFDADDNBL-UHFFFAOYSA-N 1 2 276.340 0.819 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000015447118 613327504 /nfs/dbraw/zinc/32/75/04/613327504.db2.gz OZEXGJVFKGXDJE-LBPRGKRZSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000015447118 613327507 /nfs/dbraw/zinc/32/75/07/613327507.db2.gz OZEXGJVFKGXDJE-LBPRGKRZSA-N 1 2 274.320 0.508 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000007730208 613327816 /nfs/dbraw/zinc/32/78/16/613327816.db2.gz WWFYDZCWROGSIQ-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000007730208 613327817 /nfs/dbraw/zinc/32/78/17/613327817.db2.gz WWFYDZCWROGSIQ-UHFFFAOYSA-N 1 2 276.336 0.885 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875696827 613353223 /nfs/dbraw/zinc/35/32/23/613353223.db2.gz BQRJXCNRTCTYKM-GFCCVEGCSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875696827 613353224 /nfs/dbraw/zinc/35/32/24/613353224.db2.gz BQRJXCNRTCTYKM-GFCCVEGCSA-N 1 2 271.361 0.904 20 30 CCEDLO C=C(C)C[C@@H]([NH2+]C1CCS(=O)CC1)C(=O)OC ZINC000895752288 613356780 /nfs/dbraw/zinc/35/67/80/613356780.db2.gz AMHHBDUPDWUQCE-VVHFOWEKSA-N 1 2 259.371 0.995 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925294594 613356941 /nfs/dbraw/zinc/35/69/41/613356941.db2.gz LDIZMIXRWPNTRR-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925294594 613356942 /nfs/dbraw/zinc/35/69/42/613356942.db2.gz LDIZMIXRWPNTRR-LBPRGKRZSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000865307467 613357016 /nfs/dbraw/zinc/35/70/16/613357016.db2.gz QFIVWNNCKDDNKN-SDDRHHMPSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000865307467 613357017 /nfs/dbraw/zinc/35/70/17/613357017.db2.gz QFIVWNNCKDDNKN-SDDRHHMPSA-N 1 2 281.356 0.592 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000882896594 613358091 /nfs/dbraw/zinc/35/80/91/613358091.db2.gz MDBWZOCUVCOVJP-NWDGAFQWSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC000968615045 613377825 /nfs/dbraw/zinc/37/78/25/613377825.db2.gz QXLSQZLGWLMICU-CMPLNLGQSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC000968615045 613377826 /nfs/dbraw/zinc/37/78/26/613377826.db2.gz QXLSQZLGWLMICU-CMPLNLGQSA-N 1 2 297.790 0.857 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2conc2C)C1 ZINC000958366757 613380808 /nfs/dbraw/zinc/38/08/08/613380808.db2.gz UNNSNKAZAAZRQV-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2conc2C)C1 ZINC000958366757 613380809 /nfs/dbraw/zinc/38/08/09/613380809.db2.gz UNNSNKAZAAZRQV-JQWIXIFHSA-N 1 2 299.758 0.758 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 ZINC000957994420 613381417 /nfs/dbraw/zinc/38/14/17/613381417.db2.gz BNQGNQFETVCUAH-NEPJUHHUSA-N 1 2 296.758 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 ZINC000957994420 613381418 /nfs/dbraw/zinc/38/14/18/613381418.db2.gz BNQGNQFETVCUAH-NEPJUHHUSA-N 1 2 296.758 0.252 20 30 CCEDLO C=CC[C@@H]([NH2+]CC(C)(C)C(=O)NCC)C(=O)OC ZINC000905766027 613405673 /nfs/dbraw/zinc/40/56/73/613405673.db2.gz GNRRLZQMXNKGGZ-SNVBAGLBSA-N 1 2 256.346 0.856 20 30 CCEDLO C=CC[C@H](CO)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907360611 613416812 /nfs/dbraw/zinc/41/68/12/613416812.db2.gz DALZRUYZPSTKPM-KIWPFMIBSA-N 1 2 268.357 0.318 20 30 CCEDLO C=CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)C(=O)OC ZINC000905764939 613419199 /nfs/dbraw/zinc/41/91/99/613419199.db2.gz VPPFOYJCZNVFNB-LBPRGKRZSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CC[C@H]([NH2+]CC1(OC)CCOCC1)C(=O)OC ZINC000905760721 613419211 /nfs/dbraw/zinc/41/92/11/613419211.db2.gz BKOVMBZMLKFXOG-NSHDSACASA-N 1 2 257.330 0.889 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062101 613444147 /nfs/dbraw/zinc/44/41/47/613444147.db2.gz SXROJIMKPHZFQQ-UHFFFAOYSA-N 1 2 268.357 0.764 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062101 613444149 /nfs/dbraw/zinc/44/41/49/613444149.db2.gz SXROJIMKPHZFQQ-UHFFFAOYSA-N 1 2 268.357 0.764 20 30 CCEDLO C=CCC1(O)CC[NH+](Cc2cn(CC(=O)OC)nn2)CC1 ZINC000895834696 613460156 /nfs/dbraw/zinc/46/01/56/613460156.db2.gz PELLBYUTXSJKSA-UHFFFAOYSA-N 1 2 294.355 0.354 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N=[S@](C)(=O)N(C)C ZINC000878676353 613472009 /nfs/dbraw/zinc/47/20/09/613472009.db2.gz QIHGBQLZHYCIIB-JJQCHNSYSA-N 1 2 275.374 0.021 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C1=O ZINC000924627065 613475341 /nfs/dbraw/zinc/47/53/41/613475341.db2.gz CMAJHQOFFKJRDE-QWHCGFSZSA-N 1 2 294.399 0.509 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C1=O ZINC000924627065 613475342 /nfs/dbraw/zinc/47/53/42/613475342.db2.gz CMAJHQOFFKJRDE-QWHCGFSZSA-N 1 2 294.399 0.509 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461019 613479743 /nfs/dbraw/zinc/47/97/43/613479743.db2.gz BICRJOIHCJWFAT-TZMCWYRMSA-N 1 2 278.356 0.220 20 30 CCEDLO C=C[C@H](O)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542616 613495393 /nfs/dbraw/zinc/49/53/93/613495393.db2.gz BUCLLVSHRZUIEI-LBPRGKRZSA-N 1 2 298.383 0.456 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461018 613508973 /nfs/dbraw/zinc/50/89/73/613508973.db2.gz BICRJOIHCJWFAT-OCCSQVGLSA-N 1 2 278.356 0.220 20 30 CCEDLO CC#CCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870064059 613520460 /nfs/dbraw/zinc/52/04/60/613520460.db2.gz BCTUKWVTHKCCFN-HNNXBMFYSA-N 1 2 294.395 0.740 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)C1 ZINC000941550083 613529730 /nfs/dbraw/zinc/52/97/30/613529730.db2.gz KTXARXUEBWRQKF-GJZGRUSLSA-N 1 2 289.423 0.884 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746805 613579143 /nfs/dbraw/zinc/57/91/43/613579143.db2.gz RVPUSMYGJQOBRL-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746805 613579144 /nfs/dbraw/zinc/57/91/44/613579144.db2.gz RVPUSMYGJQOBRL-NEPJUHHUSA-N 1 2 256.346 0.103 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000948795335 613564132 /nfs/dbraw/zinc/56/41/32/613564132.db2.gz OUBDGVPHIJELIF-UHFFFAOYSA-N 1 2 274.368 0.439 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972278808 613570179 /nfs/dbraw/zinc/57/01/79/613570179.db2.gz KJBADFYSIHWHQO-ZFWWWQNUSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000972278808 613570181 /nfs/dbraw/zinc/57/01/81/613570181.db2.gz KJBADFYSIHWHQO-ZFWWWQNUSA-N 1 2 280.368 0.348 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972368266 613571245 /nfs/dbraw/zinc/57/12/45/613571245.db2.gz SFHCVMDOFHTFBC-HNNXBMFYSA-N 1 2 288.351 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972368266 613571246 /nfs/dbraw/zinc/57/12/46/613571246.db2.gz SFHCVMDOFHTFBC-HNNXBMFYSA-N 1 2 288.351 0.350 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)nn1 ZINC000879366843 613598357 /nfs/dbraw/zinc/59/83/57/613598357.db2.gz XJMARUQXCZPGEE-GXTWGEPZSA-N 1 2 280.372 0.419 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)nn1 ZINC000879366843 613598360 /nfs/dbraw/zinc/59/83/60/613598360.db2.gz XJMARUQXCZPGEE-GXTWGEPZSA-N 1 2 280.372 0.419 20 30 CCEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)C(C)C)nn1 ZINC000825943967 613599078 /nfs/dbraw/zinc/59/90/78/613599078.db2.gz OMJVBHSAQWLEGT-UHFFFAOYSA-N 1 2 286.401 0.767 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)nn1 ZINC000886293833 613599131 /nfs/dbraw/zinc/59/91/31/613599131.db2.gz VEPJOZNPXVJRPY-PWSUYJOCSA-N 1 2 284.385 0.377 20 30 CCEDLO C=CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H](C)COC ZINC000869237373 613606552 /nfs/dbraw/zinc/60/65/52/613606552.db2.gz GBUWPFFKWBAXND-ONGXEEELSA-N 1 2 253.302 0.493 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925595181 613609672 /nfs/dbraw/zinc/60/96/72/613609672.db2.gz OSLSQYIXPAMWRS-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CC[N@H+](CCOC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929976015 613650437 /nfs/dbraw/zinc/65/04/37/613650437.db2.gz LDEUMWBUFXDDKM-LLVKDONJSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[N@@H+](CCOC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929976015 613650438 /nfs/dbraw/zinc/65/04/38/613650438.db2.gz LDEUMWBUFXDDKM-LLVKDONJSA-N 1 2 259.371 0.841 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC000949339933 613709356 /nfs/dbraw/zinc/70/93/56/613709356.db2.gz SUCGULSAGVAYCP-UHFFFAOYSA-N 1 2 261.325 0.660 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC000957607374 613710017 /nfs/dbraw/zinc/71/00/17/613710017.db2.gz FIQNRWRZKHNJRU-UHFFFAOYSA-N 1 2 261.325 0.179 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCC)C2)CC1 ZINC000950935233 613710535 /nfs/dbraw/zinc/71/05/35/613710535.db2.gz CIBOQUADSBORTN-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000948653469 613715497 /nfs/dbraw/zinc/71/54/97/613715497.db2.gz GRYMXJMPYATDIT-UHFFFAOYSA-N 1 2 260.341 0.773 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC000950540810 613715734 /nfs/dbraw/zinc/71/57/34/613715734.db2.gz CQEDDSWAWWYPOR-UHFFFAOYSA-N 1 2 262.313 0.057 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(n2)OCCO3)CC1 ZINC000949091482 613716469 /nfs/dbraw/zinc/71/64/69/613716469.db2.gz ZZFVLFPUSAWJRE-UHFFFAOYSA-N 1 2 289.335 0.797 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC000972604539 613724661 /nfs/dbraw/zinc/72/46/61/613724661.db2.gz HJFSGXLTKVRBEE-ZDUSSCGKSA-N 1 2 278.312 0.173 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC000972604539 613724662 /nfs/dbraw/zinc/72/46/62/613724662.db2.gz HJFSGXLTKVRBEE-ZDUSSCGKSA-N 1 2 278.312 0.173 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972290865 613726339 /nfs/dbraw/zinc/72/63/39/613726339.db2.gz ILOIDHIZTHOTRJ-GDBMZVCRSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 ZINC000972290865 613726342 /nfs/dbraw/zinc/72/63/42/613726342.db2.gz ILOIDHIZTHOTRJ-GDBMZVCRSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972294555 613726659 /nfs/dbraw/zinc/72/66/59/613726659.db2.gz MELGORZOUWEONO-UKRRQHHQSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000972294555 613726662 /nfs/dbraw/zinc/72/66/62/613726662.db2.gz MELGORZOUWEONO-UKRRQHHQSA-N 1 2 282.384 0.901 20 30 CCEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@H](O)CC#N ZINC000930341594 613737348 /nfs/dbraw/zinc/73/73/48/613737348.db2.gz BVPVIQNGJRXTKD-CYBMUJFWSA-N 1 2 281.381 0.961 20 30 CCEDLO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@H](O)CC#N ZINC000930341594 613737350 /nfs/dbraw/zinc/73/73/50/613737350.db2.gz BVPVIQNGJRXTKD-CYBMUJFWSA-N 1 2 281.381 0.961 20 30 CCEDLO C=CCN1CC[C@H](OC(=O)CCc2ccc(N)[nH+]c2)C1=O ZINC000798642207 613802881 /nfs/dbraw/zinc/80/28/81/613802881.db2.gz PAEWJPZWVSKQHR-LBPRGKRZSA-N 1 2 289.335 0.927 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H](C)CC ZINC000884133351 613877358 /nfs/dbraw/zinc/87/73/58/613877358.db2.gz VUOYGHLWSRLUFO-QWRGUYRKSA-N 1 2 256.346 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OC(C)C)CC1 ZINC000884099686 613877552 /nfs/dbraw/zinc/87/75/52/613877552.db2.gz WWRYKGPAPSGWJU-ZDUSSCGKSA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C ZINC000884048709 613877717 /nfs/dbraw/zinc/87/77/17/613877717.db2.gz UBMODULHCYWDMD-QWRGUYRKSA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CC[C@H]1C ZINC000884172779 613878097 /nfs/dbraw/zinc/87/80/97/613878097.db2.gz DLUYJSJBNOZCMY-MXWKQRLJSA-N 1 2 254.330 0.832 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(OC)CC1 ZINC000884427337 613878099 /nfs/dbraw/zinc/87/80/99/613878099.db2.gz SIVUUJCTPVHURN-MCIGGMRASA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(F)F ZINC000884412359 613878265 /nfs/dbraw/zinc/87/82/65/613878265.db2.gz OPLDGBSGFMUGGX-ZETCQYMHSA-N 1 2 250.245 0.204 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000884369164 613878320 /nfs/dbraw/zinc/87/83/20/613878320.db2.gz UUNRDFGBXAXHQS-SRVKXCTJSA-N 1 2 282.340 0.140 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](COC)C(C)C ZINC000884151558 613878582 /nfs/dbraw/zinc/87/85/82/613878582.db2.gz PLHTWPPZEOAHJQ-QWRGUYRKSA-N 1 2 272.345 0.220 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H]2C[C@@H]2C)no1 ZINC000904097519 613878928 /nfs/dbraw/zinc/87/89/28/613878928.db2.gz WWWWLUKQBSYRNA-YIZRAAEISA-N 1 2 251.286 0.792 20 30 CCEDLO CC(C)(O)CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885983772 614188541 /nfs/dbraw/zinc/18/85/41/614188541.db2.gz PAQTWUXGOGCXQQ-CQSZACIVSA-N 1 2 295.427 0.820 20 30 CCEDLO CCNC(NCc1nnc([C@@H]2CCCO2)[nH]1)=[NH+]CC ZINC000849215221 614420648 /nfs/dbraw/zinc/42/06/48/614420648.db2.gz WABWNIDNCOVYGH-VIFPVBQESA-N 1 2 266.349 0.731 20 30 CCEDLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000950658224 614683701 /nfs/dbraw/zinc/68/37/01/614683701.db2.gz FZJCLGAMIITWGY-LBPRGKRZSA-N 1 2 287.367 0.502 20 30 CCEDLO CCCCCCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839180711 614901283 /nfs/dbraw/zinc/90/12/83/614901283.db2.gz TWMKQFDKDASXCM-UHFFFAOYSA-N 1 2 255.362 0.586 20 30 CCEDLO CCCCCCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000839180711 614901286 /nfs/dbraw/zinc/90/12/86/614901286.db2.gz TWMKQFDKDASXCM-UHFFFAOYSA-N 1 2 255.362 0.586 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933908225 615021203 /nfs/dbraw/zinc/02/12/03/615021203.db2.gz HRBWNFXOYPFDSL-GFCCVEGCSA-N 1 2 281.356 0.586 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933908225 615021205 /nfs/dbraw/zinc/02/12/05/615021205.db2.gz HRBWNFXOYPFDSL-GFCCVEGCSA-N 1 2 281.356 0.586 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886081526 615313693 /nfs/dbraw/zinc/31/36/93/615313693.db2.gz RKRHSZAALVHZCM-QWHCGFSZSA-N 1 2 298.383 0.941 20 30 CCEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886081526 615313696 /nfs/dbraw/zinc/31/36/96/615313696.db2.gz RKRHSZAALVHZCM-QWHCGFSZSA-N 1 2 298.383 0.941 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC12COC2 ZINC000880004733 615383083 /nfs/dbraw/zinc/38/30/83/615383083.db2.gz CLPFTKWDCKMFMF-CHWSQXEVSA-N 1 2 291.351 0.941 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC12COC2 ZINC000880004733 615383085 /nfs/dbraw/zinc/38/30/85/615383085.db2.gz CLPFTKWDCKMFMF-CHWSQXEVSA-N 1 2 291.351 0.941 20 30 CCEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CC12COC2 ZINC000880004739 615383682 /nfs/dbraw/zinc/38/36/82/615383682.db2.gz CLPFTKWDCKMFMF-QWHCGFSZSA-N 1 2 291.351 0.941 20 30 CCEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC12COC2 ZINC000880004739 615383685 /nfs/dbraw/zinc/38/36/85/615383685.db2.gz CLPFTKWDCKMFMF-QWHCGFSZSA-N 1 2 291.351 0.941 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000874710094 615568841 /nfs/dbraw/zinc/56/88/41/615568841.db2.gz FFHDPWAOIZLHEM-GFCCVEGCSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000874710094 615568842 /nfs/dbraw/zinc/56/88/42/615568842.db2.gz FFHDPWAOIZLHEM-GFCCVEGCSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931331569 615600033 /nfs/dbraw/zinc/60/00/33/615600033.db2.gz HJCRIUJRSRZFAE-UPJWGTAASA-N 1 2 281.356 0.285 20 30 CCEDLO CCn1c[nH+]cc1CN(CC#N)CCC(=O)OC ZINC000877710676 615630667 /nfs/dbraw/zinc/63/06/67/615630667.db2.gz SCLJDEUPQOSXNZ-UHFFFAOYSA-N 1 2 250.302 0.792 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncncc1C#N ZINC000895800810 615714666 /nfs/dbraw/zinc/71/46/66/615714666.db2.gz CQMYVTFTQUADMV-GFCCVEGCSA-N 1 2 261.329 0.293 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CC1 ZINC000922311508 615716444 /nfs/dbraw/zinc/71/64/44/615716444.db2.gz HGZXBEZINYLJST-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895960347 615724359 /nfs/dbraw/zinc/72/43/59/615724359.db2.gz REQVEUPUVJKADV-UHFFFAOYSA-N 1 2 297.366 0.956 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000933227024 615872999 /nfs/dbraw/zinc/87/29/99/615872999.db2.gz PPJKCIULBJLGOX-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000933227024 615873000 /nfs/dbraw/zinc/87/30/00/615873000.db2.gz PPJKCIULBJLGOX-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000874709074 615928060 /nfs/dbraw/zinc/92/80/60/615928060.db2.gz WOBPIQPKZYFYDR-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000874709074 615928062 /nfs/dbraw/zinc/92/80/62/615928062.db2.gz WOBPIQPKZYFYDR-ZDUSSCGKSA-N 1 2 288.351 0.794 20 30 CCEDLO CN(C)c1cc(NCCn2cnc(C#N)n2)[nH+]cn1 ZINC000893835824 616009892 /nfs/dbraw/zinc/00/98/92/616009892.db2.gz DSJDYQOCTYTPJA-UHFFFAOYSA-N 1 2 258.289 0.118 20 30 CCEDLO CN(C)c1cc(NCCn2cnc(C#N)n2)nc[nH+]1 ZINC000893835824 616009893 /nfs/dbraw/zinc/00/98/93/616009893.db2.gz DSJDYQOCTYTPJA-UHFFFAOYSA-N 1 2 258.289 0.118 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971811714 616040247 /nfs/dbraw/zinc/04/02/47/616040247.db2.gz UEVPQZLSAHGTNV-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818813 616040487 /nfs/dbraw/zinc/04/04/87/616040487.db2.gz RSQNMUDCBRHVDE-GXTWGEPZSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818815 616041333 /nfs/dbraw/zinc/04/13/33/616041333.db2.gz RSQNMUDCBRHVDE-OCCSQVGLSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811008 616041356 /nfs/dbraw/zinc/04/13/56/616041356.db2.gz NPKLUKCUJLTEBL-OLZOCXBDSA-N 1 2 287.367 0.502 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)CCS(N)(=O)=O ZINC000877825768 616121085 /nfs/dbraw/zinc/12/10/85/616121085.db2.gz BPGNFBFSTAJYGW-UHFFFAOYSA-N 1 2 296.396 0.345 20 30 CCEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877825768 616121086 /nfs/dbraw/zinc/12/10/86/616121086.db2.gz BPGNFBFSTAJYGW-UHFFFAOYSA-N 1 2 296.396 0.345 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1CO ZINC000913557396 616230837 /nfs/dbraw/zinc/23/08/37/616230837.db2.gz AMILBXUTPJJLNK-CYBMUJFWSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1CO ZINC000913557396 616230838 /nfs/dbraw/zinc/23/08/38/616230838.db2.gz AMILBXUTPJJLNK-CYBMUJFWSA-N 1 2 273.336 0.501 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)C2CCCC2)C1 ZINC000921541697 616252847 /nfs/dbraw/zinc/25/28/47/616252847.db2.gz BWVVJRRSSZYGEP-NWDGAFQWSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)C2CCCC2)C1 ZINC000921541697 616252848 /nfs/dbraw/zinc/25/28/48/616252848.db2.gz BWVVJRRSSZYGEP-NWDGAFQWSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)C2CCCC2)C1 ZINC000921541699 616259672 /nfs/dbraw/zinc/25/96/72/616259672.db2.gz BWVVJRRSSZYGEP-RYUDHWBXSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)C2CCCC2)C1 ZINC000921541699 616259673 /nfs/dbraw/zinc/25/96/73/616259673.db2.gz BWVVJRRSSZYGEP-RYUDHWBXSA-N 1 2 251.330 0.516 20 30 CCEDLO COC1C[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000871980177 616527124 /nfs/dbraw/zinc/52/71/24/616527124.db2.gz WRZCIQLAIWUTID-NSHDSACASA-N 1 2 254.330 0.388 20 30 CCEDLO COCC#CC[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854128933 616528025 /nfs/dbraw/zinc/52/80/25/616528025.db2.gz YRJSGAOTNMLORG-UHFFFAOYSA-N 1 2 297.362 0.885 20 30 CCEDLO COCC#CC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854128933 616528026 /nfs/dbraw/zinc/52/80/26/616528026.db2.gz YRJSGAOTNMLORG-UHFFFAOYSA-N 1 2 297.362 0.885 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000880558076 616560754 /nfs/dbraw/zinc/56/07/54/616560754.db2.gz IUAKTNQIQORWLX-CQSZACIVSA-N 1 2 278.283 0.807 20 30 CCEDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000880558076 616560755 /nfs/dbraw/zinc/56/07/55/616560755.db2.gz IUAKTNQIQORWLX-CQSZACIVSA-N 1 2 278.283 0.807 20 30 CCEDLO COCC(COC)[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000840483844 616726705 /nfs/dbraw/zinc/72/67/05/616726705.db2.gz NAUHOABHUDWZCR-UHFFFAOYSA-N 1 2 296.411 0.842 20 30 CCEDLO CNC(=O)c1cccc(CO[NH+]=C(N)CCO)c1 ZINC000121347406 616918647 /nfs/dbraw/zinc/91/86/47/616918647.db2.gz UKDATKBVGLVLKD-UHFFFAOYSA-N 1 2 251.286 0.217 20 30 CCEDLO CON1CC[C@H]([NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000930829078 617099244 /nfs/dbraw/zinc/09/92/44/617099244.db2.gz XNPWLRXBBPOUQU-SRVKXCTJSA-N 1 2 266.345 0.067 20 30 CCEDLO CON1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000902176560 617102029 /nfs/dbraw/zinc/10/20/29/617102029.db2.gz LZTPPJZNDMKAHA-JTQLQIEISA-N 1 2 267.260 0.625 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008518293 625521909 /nfs/dbraw/zinc/52/19/09/625521909.db2.gz NIMDAQRHSLSCHW-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001008518293 625521926 /nfs/dbraw/zinc/52/19/26/625521926.db2.gz NIMDAQRHSLSCHW-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000934511684 622730453 /nfs/dbraw/zinc/73/04/53/622730453.db2.gz SERHTONHPNFTOK-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000934511684 622730454 /nfs/dbraw/zinc/73/04/54/622730454.db2.gz SERHTONHPNFTOK-RYUDHWBXSA-N 1 2 265.357 0.067 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364798 623296388 /nfs/dbraw/zinc/29/63/88/623296388.db2.gz WKMVUEWMIVETRQ-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001024364798 623296393 /nfs/dbraw/zinc/29/63/93/623296393.db2.gz WKMVUEWMIVETRQ-VXGBXAGGSA-N 1 2 299.802 0.988 20 30 CCEDLO O=C(NCC#CCO)NCCc1cn2c([nH+]1)CCCC2 ZINC000923786829 623514241 /nfs/dbraw/zinc/51/42/41/623514241.db2.gz LYVHCVGMQWKPAP-UHFFFAOYSA-N 1 2 276.340 0.057 20 30 CCEDLO Cc1cc(C#N)nc(N2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000892657738 623630518 /nfs/dbraw/zinc/63/05/18/623630518.db2.gz PDUJPTRWZAVUAR-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC(=O)N1 ZINC001017932134 623637809 /nfs/dbraw/zinc/63/78/09/623637809.db2.gz CEOLSUSFDVQCDJ-MJBXVCDLSA-N 1 2 289.379 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC(=O)N1 ZINC001017932134 623637811 /nfs/dbraw/zinc/63/78/11/623637811.db2.gz CEOLSUSFDVQCDJ-MJBXVCDLSA-N 1 2 289.379 0.354 20 30 CCEDLO N#CCN[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969138455 624466333 /nfs/dbraw/zinc/46/63/33/624466333.db2.gz VVXRXWYPKGLLPX-NWDGAFQWSA-N 1 2 273.340 0.160 20 30 CCEDLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010458466 624477702 /nfs/dbraw/zinc/47/77/02/624477702.db2.gz RXZHDRMASPGQOF-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010458466 624477704 /nfs/dbraw/zinc/47/77/04/624477704.db2.gz RXZHDRMASPGQOF-LLVKDONJSA-N 1 2 299.338 0.019 20 30 CCEDLO C#CC[N@@H+](C[C@H](OCC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000859188420 624501832 /nfs/dbraw/zinc/50/18/32/624501832.db2.gz OOQUXOLOJUAJCX-KGLIPLIRSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@H](OCC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000859188420 624501833 /nfs/dbraw/zinc/50/18/33/624501833.db2.gz OOQUXOLOJUAJCX-KGLIPLIRSA-N 1 2 285.409 0.924 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001020536865 624504494 /nfs/dbraw/zinc/50/44/94/624504494.db2.gz FKNREOXKWMFJGY-WOPDTQHZSA-N 1 2 289.339 0.148 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(CC#N)C1 ZINC000969996519 624569252 /nfs/dbraw/zinc/56/92/52/624569252.db2.gz JINAEKOEBSTPST-VXGBXAGGSA-N 1 2 287.367 0.406 20 30 CCEDLO C#CCCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160316502 624699084 /nfs/dbraw/zinc/69/90/84/624699084.db2.gz DAVQQFAKYFFMEJ-ZDUSSCGKSA-N 1 2 267.373 0.810 20 30 CCEDLO O=C(/C=C\C[NH+]1CCOCC1)NCC#C[C@@H]1CCCCO1 ZINC000891116187 624729506 /nfs/dbraw/zinc/72/95/06/624729506.db2.gz KSAYTGOWQZYTPC-QZDDGCDVSA-N 1 2 292.379 0.564 20 30 CCEDLO O=C1CCCN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600591 634410603 /nfs/dbraw/zinc/41/06/03/634410603.db2.gz WMXWYUWNDRAVSS-UHFFFAOYSA-N 1 2 264.325 0.904 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncc3nc[nH]c32)C1 ZINC001022113277 624875436 /nfs/dbraw/zinc/87/54/36/624875436.db2.gz DRMKHBLTMBIZPJ-AOOOYVTPSA-N 1 2 269.308 0.442 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027632675 630817819 /nfs/dbraw/zinc/81/78/19/630817819.db2.gz OLTGGRRJBQJRCK-LLVKDONJSA-N 1 2 261.329 0.399 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010344117 631301312 /nfs/dbraw/zinc/30/13/12/631301312.db2.gz KOBRDOFPDBAZTO-QWRGUYRKSA-N 1 2 258.749 0.966 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010344117 631301314 /nfs/dbraw/zinc/30/13/14/631301314.db2.gz KOBRDOFPDBAZTO-QWRGUYRKSA-N 1 2 258.749 0.966 20 30 CCEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000967945289 650006025 /nfs/dbraw/zinc/00/60/25/650006025.db2.gz VNOIVMJESWVQFL-PSASIEDQSA-N 1 2 263.301 0.228 20 30 CCEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968697547 650026138 /nfs/dbraw/zinc/02/61/38/650026138.db2.gz GXJDKBNEOXWLEY-NWDGAFQWSA-N 1 2 261.329 0.233 20 30 CCEDLO Cc1cc(C(N)=[NH+]OCC2(CO)COC2)ccc1F ZINC000305040120 632517357 /nfs/dbraw/zinc/51/73/57/632517357.db2.gz CLOCTMCCRCYNSJ-UHFFFAOYSA-N 1 2 268.288 0.780 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H](NCC#N)[C@H]1C ZINC000986421276 632754234 /nfs/dbraw/zinc/75/42/34/632754234.db2.gz YNOJTIQWMKMCRL-YPMHNXCESA-N 1 2 288.351 0.735 20 30 CCEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001007834514 650095087 /nfs/dbraw/zinc/09/50/87/650095087.db2.gz WIOUNXHLABWLNW-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001007834514 650095088 /nfs/dbraw/zinc/09/50/88/650095088.db2.gz WIOUNXHLABWLNW-QWHCGFSZSA-N 1 2 298.408 0.025 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC000987321403 632857338 /nfs/dbraw/zinc/85/73/38/632857338.db2.gz NSHPPGDHRHHXLF-UWVGGRQHSA-N 1 2 283.763 0.679 20 30 CCEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC000987321408 632857642 /nfs/dbraw/zinc/85/76/42/632857642.db2.gz NSHPPGDHRHHXLF-ZJUUUORDSA-N 1 2 283.763 0.679 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1[nH+]ccn1C ZINC000989222090 633170201 /nfs/dbraw/zinc/17/02/01/633170201.db2.gz NGDOMJVGQGFLAQ-RYUDHWBXSA-N 1 2 275.356 0.455 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC000989435333 633228573 /nfs/dbraw/zinc/22/85/73/633228573.db2.gz DAKVHTUJOARTGL-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC000989435333 633228576 /nfs/dbraw/zinc/22/85/76/633228576.db2.gz DAKVHTUJOARTGL-CQSZACIVSA-N 1 2 291.395 0.555 20 30 CCEDLO N#Cc1cccnc1N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900045444 633942975 /nfs/dbraw/zinc/94/29/75/633942975.db2.gz SVPBRNKYCAUCEF-UHFFFAOYSA-N 1 2 296.334 0.568 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)C1=O ZINC001009818255 650162399 /nfs/dbraw/zinc/16/23/99/650162399.db2.gz XZGZWRMKHDBDQL-NXEZZACHSA-N 1 2 287.310 0.229 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(F)F)C2)C1=O ZINC001009818255 650162404 /nfs/dbraw/zinc/16/24/04/650162404.db2.gz XZGZWRMKHDBDQL-NXEZZACHSA-N 1 2 287.310 0.229 20 30 CCEDLO O=C(C#CC1CC1)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011110463 650286524 /nfs/dbraw/zinc/28/65/24/650286524.db2.gz AXMKHLSXVKLOIK-UHFFFAOYSA-N 1 2 286.335 0.036 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000913553565 636842759 /nfs/dbraw/zinc/84/27/59/636842759.db2.gz KAFMYEBKBPLEAG-CQSZACIVSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000913553565 636842764 /nfs/dbraw/zinc/84/27/64/636842764.db2.gz KAFMYEBKBPLEAG-CQSZACIVSA-N 1 2 290.363 1.000 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001015001363 637291084 /nfs/dbraw/zinc/29/10/84/637291084.db2.gz WDNPFPYBAHRJQJ-VXGBXAGGSA-N 1 2 273.340 0.160 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000915717445 637784574 /nfs/dbraw/zinc/78/45/74/637784574.db2.gz SKILNMTZHWJXAG-UHFFFAOYSA-N 1 2 296.377 0.973 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC000993370706 637796233 /nfs/dbraw/zinc/79/62/33/637796233.db2.gz WOFBHTKJNZXJNR-JQWIXIFHSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC000993370706 637796236 /nfs/dbraw/zinc/79/62/36/637796236.db2.gz WOFBHTKJNZXJNR-JQWIXIFHSA-N 1 2 286.397 0.186 20 30 CCEDLO O=C(NCC#CCO)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000923760261 638060025 /nfs/dbraw/zinc/06/00/25/638060025.db2.gz JNKKLMISGZWITK-HNNXBMFYSA-N 1 2 298.346 0.919 20 30 CCEDLO C#CCSCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000919874830 638113375 /nfs/dbraw/zinc/11/33/75/638113375.db2.gz GRYAWSONQPAVEO-CYBMUJFWSA-N 1 2 299.440 0.763 20 30 CCEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921411084 638178838 /nfs/dbraw/zinc/17/88/38/638178838.db2.gz KSXWXGFUJGZNSY-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921411084 638178842 /nfs/dbraw/zinc/17/88/42/638178842.db2.gz KSXWXGFUJGZNSY-LBPRGKRZSA-N 1 2 279.365 0.849 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016355077 639489503 /nfs/dbraw/zinc/48/95/03/639489503.db2.gz TZYBEBMRTQRFIV-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016355077 639489511 /nfs/dbraw/zinc/48/95/11/639489511.db2.gz TZYBEBMRTQRFIV-ZDUSSCGKSA-N 1 2 295.346 0.909 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001015156983 650532595 /nfs/dbraw/zinc/53/25/95/650532595.db2.gz VRAQUFRNQXKAIQ-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001015156983 650532597 /nfs/dbraw/zinc/53/25/97/650532597.db2.gz VRAQUFRNQXKAIQ-SNVBAGLBSA-N 1 2 278.381 0.928 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001015405830 650563604 /nfs/dbraw/zinc/56/36/04/650563604.db2.gz XZGUGEDQFQGVMR-VXGBXAGGSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001015405830 650563606 /nfs/dbraw/zinc/56/36/06/650563606.db2.gz XZGUGEDQFQGVMR-VXGBXAGGSA-N 1 2 286.397 0.330 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015552577 650581319 /nfs/dbraw/zinc/58/13/19/650581319.db2.gz QYLACRYCOOCTPG-WYUUTHIRSA-N 1 2 270.760 0.822 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015552577 650581321 /nfs/dbraw/zinc/58/13/21/650581321.db2.gz QYLACRYCOOCTPG-WYUUTHIRSA-N 1 2 270.760 0.822 20 30 CCEDLO Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)cc(C#N)n1 ZINC000804497397 640769818 /nfs/dbraw/zinc/76/98/18/640769818.db2.gz AUPIWIVDRDRABY-FQEVSTJZSA-N 1 2 292.408 0.762 20 30 CCEDLO Nc1ccc(CN=Nc2nccc(N3CCOCC3)n2)c[nH+]1 ZINC000807977152 640844010 /nfs/dbraw/zinc/84/40/10/640844010.db2.gz WKGGDQIMFFXJDJ-UHFFFAOYSA-N 1 2 299.338 0.736 20 30 CCEDLO O=C(N[C@@H]1CCN(O)C1=O)c1cccc2[nH+]ccn21 ZINC000820148786 641473254 /nfs/dbraw/zinc/47/32/54/641473254.db2.gz JROZDUXGFUOJLY-MRVPVSSYSA-N 1 2 260.253 0.054 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000827384375 642003581 /nfs/dbraw/zinc/00/35/81/642003581.db2.gz QVDIUHDMONMBEQ-MGPQQGTHSA-N 1 2 299.378 0.722 20 30 CCEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000834498671 642586936 /nfs/dbraw/zinc/58/69/36/642586936.db2.gz BMSZLOGBIHBUJS-XCBNKYQSSA-N 1 2 267.235 0.512 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C ZINC001017358198 650796220 /nfs/dbraw/zinc/79/62/20/650796220.db2.gz BNPSEWMXVXAUFT-BETUJISGSA-N 1 2 257.337 0.947 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C ZINC001017358198 650796223 /nfs/dbraw/zinc/79/62/23/650796223.db2.gz BNPSEWMXVXAUFT-BETUJISGSA-N 1 2 257.337 0.947 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCNC(=O)C1 ZINC001017659533 650816773 /nfs/dbraw/zinc/81/67/73/650816773.db2.gz VDYJGJJNYDVRFJ-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCNC(=O)C1 ZINC001017659533 650816776 /nfs/dbraw/zinc/81/67/76/650816776.db2.gz VDYJGJJNYDVRFJ-DVOMOZLQSA-N 1 2 289.379 0.211 20 30 CCEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001017681471 650817426 /nfs/dbraw/zinc/81/74/26/650817426.db2.gz OVIKSORTCJISOW-MELADBBJSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2n[nH]nc21 ZINC001017720461 650819569 /nfs/dbraw/zinc/81/95/69/650819569.db2.gz HQWVEMOGIZVCDX-PHIMTYICSA-N 1 2 296.334 0.275 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2n[nH]nc21 ZINC001017720461 650819573 /nfs/dbraw/zinc/81/95/73/650819573.db2.gz HQWVEMOGIZVCDX-PHIMTYICSA-N 1 2 296.334 0.275 20 30 CCEDLO N#CCCN1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844308488 643200609 /nfs/dbraw/zinc/20/06/09/643200609.db2.gz DFLRLNZCCQWJNV-CYBMUJFWSA-N 1 2 278.356 0.501 20 30 CCEDLO C[C@@H](C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372217 643211719 /nfs/dbraw/zinc/21/17/19/643211719.db2.gz XDQFIRXEHJZTRD-SMDDNHRTSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372217 643211722 /nfs/dbraw/zinc/21/17/22/643211722.db2.gz XDQFIRXEHJZTRD-SMDDNHRTSA-N 1 2 296.392 0.957 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N1C ZINC001017839383 650826024 /nfs/dbraw/zinc/82/60/24/650826024.db2.gz MFTVPYUHUSUHQS-HZSPNIEDSA-N 1 2 289.379 0.306 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(=O)N1C ZINC001017839383 650826028 /nfs/dbraw/zinc/82/60/28/650826028.db2.gz MFTVPYUHUSUHQS-HZSPNIEDSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cnn(C)c1 ZINC001018356220 650854692 /nfs/dbraw/zinc/85/46/92/650854692.db2.gz UCHMMOCOPZJFOX-YUELXQCFSA-N 1 2 286.379 0.832 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cnn(C)c1 ZINC001018356220 650854694 /nfs/dbraw/zinc/85/46/94/650854694.db2.gz UCHMMOCOPZJFOX-YUELXQCFSA-N 1 2 286.379 0.832 20 30 CCEDLO C[C@H](CC#N)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851809449 643886734 /nfs/dbraw/zinc/88/67/34/643886734.db2.gz PSRSYKBPCUNREX-RISCZKNCSA-N 1 2 261.325 0.593 20 30 CCEDLO C[C@H](CC#N)[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851809449 643886736 /nfs/dbraw/zinc/88/67/36/643886736.db2.gz PSRSYKBPCUNREX-RISCZKNCSA-N 1 2 261.325 0.593 20 30 CCEDLO C#C[C@H]1CCC[N@@H+]([C@@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215041 643943873 /nfs/dbraw/zinc/94/38/73/643943873.db2.gz CHSJBQGNOMTHBF-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO C#C[C@H]1CCC[N@H+]([C@@H](CCC(=O)OC)C(=O)OC)C1 ZINC000852215041 643943876 /nfs/dbraw/zinc/94/38/76/643943876.db2.gz CHSJBQGNOMTHBF-RYUDHWBXSA-N 1 2 267.325 0.826 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)N2CC[C@@](C)(C#N)C2)CCO1 ZINC000853607704 644130040 /nfs/dbraw/zinc/13/00/40/644130040.db2.gz TWLLWEKFAWCHBV-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@@](C)(C#N)C2)CCO1 ZINC000853607704 644130044 /nfs/dbraw/zinc/13/00/44/644130044.db2.gz TWLLWEKFAWCHBV-JSGCOSHPSA-N 1 2 280.372 0.652 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001018876830 650918305 /nfs/dbraw/zinc/91/83/05/650918305.db2.gz KAILFTSBQKAWMZ-LBPRGKRZSA-N 1 2 287.367 0.476 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016102 644752959 /nfs/dbraw/zinc/75/29/59/644752959.db2.gz GOILTDYLCXATNF-KGLIPLIRSA-N 1 2 289.335 0.168 20 30 CCEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860016102 644752963 /nfs/dbraw/zinc/75/29/63/644752963.db2.gz GOILTDYLCXATNF-KGLIPLIRSA-N 1 2 289.335 0.168 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCOC1 ZINC000865030313 645313679 /nfs/dbraw/zinc/31/36/79/645313679.db2.gz TZTNFLUBXQGVGV-AWEZNQCLSA-N 1 2 263.341 0.613 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C#N)CCCOC2)[C@H](C)CO1 ZINC000869241194 645861804 /nfs/dbraw/zinc/86/18/04/645861804.db2.gz AQAFSFICYIHWPQ-NFAWXSAZSA-N 1 2 295.383 0.532 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)CCCOC2)[C@H](C)CO1 ZINC000869241194 645861806 /nfs/dbraw/zinc/86/18/06/645861806.db2.gz AQAFSFICYIHWPQ-NFAWXSAZSA-N 1 2 295.383 0.532 20 30 CCEDLO C=CC[N@H+](CCC1OCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000124947268 646443544 /nfs/dbraw/zinc/44/35/44/646443544.db2.gz DMLOKGHYQXMTPT-NSHDSACASA-N 1 2 275.370 0.425 20 30 CCEDLO C=CC[N@@H+](CCC1OCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000124947268 646443546 /nfs/dbraw/zinc/44/35/46/646443546.db2.gz DMLOKGHYQXMTPT-NSHDSACASA-N 1 2 275.370 0.425 20 30 CCEDLO Cc1nc2cccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2[nH]1 ZINC000876803357 646670305 /nfs/dbraw/zinc/67/03/05/646670305.db2.gz VYZXKJMEDATZNZ-JOYOIKCWSA-N 1 2 269.308 0.713 20 30 CCEDLO N#CC1(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877494132 646819791 /nfs/dbraw/zinc/81/97/91/646819791.db2.gz LEVNYWHOSXOQMQ-UHFFFAOYSA-N 1 2 265.338 0.727 20 30 CCEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000880459950 647203786 /nfs/dbraw/zinc/20/37/86/647203786.db2.gz MHQVELMAGZRZFW-STQMWFEESA-N 1 2 275.356 0.718 20 30 CCEDLO N#Cc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)o1 ZINC000881302724 647300515 /nfs/dbraw/zinc/30/05/15/647300515.db2.gz HLJBPXBLUQXTFA-UHFFFAOYSA-N 1 2 287.323 0.666 20 30 CCEDLO Cc1nc(C#N)cc(N2CC[NH+](CC[S@](C)=O)CC2)n1 ZINC000882007972 647363453 /nfs/dbraw/zinc/36/34/53/647363453.db2.gz CRCITEWTOWWSPS-FQEVSTJZSA-N 1 2 293.396 0.157 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N1CCc2ccccc21 ZINC000136071183 647867290 /nfs/dbraw/zinc/86/72/90/647867290.db2.gz MQONMQWOARGSPT-UHFFFAOYSA-N 1 2 263.297 0.247 20 30 CCEDLO C[C@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(F)F ZINC000886229842 647925140 /nfs/dbraw/zinc/92/51/40/647925140.db2.gz WQSMSRCNEFZAIC-NSHDSACASA-N 1 2 261.272 0.060 20 30 CCEDLO C[C@]1(C#N)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000887673018 648137983 /nfs/dbraw/zinc/13/79/83/648137983.db2.gz MUZVWJDIXGSAFA-RISCZKNCSA-N 1 2 274.324 0.587 20 30 CCEDLO C[C@H](CC(=O)N1CCO[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690833 648144956 /nfs/dbraw/zinc/14/49/56/648144956.db2.gz UXTXSWOIVALFKM-YPMHNXCESA-N 1 2 262.313 0.975 20 30 CCEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000930117324 648824925 /nfs/dbraw/zinc/82/49/25/648824925.db2.gz KHLNVVQGDXAEKW-CYBMUJFWSA-N 1 2 299.378 0.955 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934492387 649176742 /nfs/dbraw/zinc/17/67/42/649176742.db2.gz UBHKPTYRANXYRL-ZDUSSCGKSA-N 1 2 299.378 0.896 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934492387 649176745 /nfs/dbraw/zinc/17/67/45/649176745.db2.gz UBHKPTYRANXYRL-ZDUSSCGKSA-N 1 2 299.378 0.896 20 30 CCEDLO CC(C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158205356 649304306 /nfs/dbraw/zinc/30/43/06/649304306.db2.gz BUFOIUGPDVDNQQ-UHFFFAOYSA-N 1 2 277.324 0.783 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948926980 649403288 /nfs/dbraw/zinc/40/32/88/649403288.db2.gz PYIMGHLDGKCXFN-GFCCVEGCSA-N 1 2 273.340 0.113 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2=COCCO2)C1 ZINC000949609005 649433452 /nfs/dbraw/zinc/43/34/52/649433452.db2.gz VVFUQHRKGZPGJN-UHFFFAOYSA-N 1 2 266.341 0.983 20 30 CCEDLO COCCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000195478261 649601007 /nfs/dbraw/zinc/60/10/07/649601007.db2.gz RGLJMCKGDNKEJB-UHFFFAOYSA-N 1 2 293.367 0.802 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571110 805625032 /nfs/dbraw/zinc/62/50/32/805625032.db2.gz BMKXWAUFXNHWDY-TZMCWYRMSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571110 805625038 /nfs/dbraw/zinc/62/50/38/805625038.db2.gz BMKXWAUFXNHWDY-TZMCWYRMSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001266267465 790361455 /nfs/dbraw/zinc/36/14/55/790361455.db2.gz DWCTVYIWCTVRCH-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001266267465 790361465 /nfs/dbraw/zinc/36/14/65/790361465.db2.gz DWCTVYIWCTVRCH-UHFFFAOYSA-N 1 2 291.395 0.674 20 30 CCEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCCC1 ZINC001266273014 790374138 /nfs/dbraw/zinc/37/41/38/790374138.db2.gz ITAQWTOIBIQBMT-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCCC1 ZINC001266273014 790374149 /nfs/dbraw/zinc/37/41/49/790374149.db2.gz ITAQWTOIBIQBMT-UHFFFAOYSA-N 1 2 293.411 0.706 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)Cc2occc2C)CC1 ZINC001266292278 790434673 /nfs/dbraw/zinc/43/46/73/790434673.db2.gz BYAIBVPGCMMMAQ-UHFFFAOYSA-N 1 2 289.379 0.498 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(CC)CC)C1 ZINC001266302049 790467743 /nfs/dbraw/zinc/46/77/43/790467743.db2.gz HYUNGGWLTZTMIP-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C1 ZINC001266302049 790467749 /nfs/dbraw/zinc/46/77/49/790467749.db2.gz HYUNGGWLTZTMIP-ZDUSSCGKSA-N 1 2 281.400 0.915 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001266311775 790486888 /nfs/dbraw/zinc/48/68/88/790486888.db2.gz IFDYSOFFNVUUQP-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001266311775 790486892 /nfs/dbraw/zinc/48/68/92/790486892.db2.gz IFDYSOFFNVUUQP-ZDUSSCGKSA-N 1 2 281.400 0.869 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266318890 790498150 /nfs/dbraw/zinc/49/81/50/790498150.db2.gz CNHMPMBMQSMZAO-AWEZNQCLSA-N 1 2 284.363 0.889 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266318890 790498159 /nfs/dbraw/zinc/49/81/59/790498159.db2.gz CNHMPMBMQSMZAO-AWEZNQCLSA-N 1 2 284.363 0.889 20 30 CCEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266321444 790502752 /nfs/dbraw/zinc/50/27/52/790502752.db2.gz SKAUDOQFERRVSG-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266321444 790502758 /nfs/dbraw/zinc/50/27/58/790502758.db2.gz SKAUDOQFERRVSG-CHWSQXEVSA-N 1 2 294.399 0.500 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC12CCC2 ZINC001266330560 790522128 /nfs/dbraw/zinc/52/21/28/790522128.db2.gz ZJABUKHNIZTJLK-LBPRGKRZSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC12CCC2 ZINC001266330560 790522140 /nfs/dbraw/zinc/52/21/40/790522140.db2.gz ZJABUKHNIZTJLK-LBPRGKRZSA-N 1 2 279.384 0.527 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCN(CC#N)C1 ZINC001266330864 790522327 /nfs/dbraw/zinc/52/23/27/790522327.db2.gz JQWYHSFABVZRHJ-NSHDSACASA-N 1 2 261.329 0.067 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCN(CC#N)C1 ZINC001266544457 790907491 /nfs/dbraw/zinc/90/74/91/790907491.db2.gz BPBKMCJRTKMMJS-LLVKDONJSA-N 1 2 261.329 0.222 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001266659874 791093158 /nfs/dbraw/zinc/09/31/58/791093158.db2.gz JCFGUFNVOONSSR-RKDXNWHRSA-N 1 2 267.358 0.807 20 30 CCEDLO CCc1nnc(C[NH2+]CCN(C)C(=O)C#CC(C)C)o1 ZINC001266692390 791146542 /nfs/dbraw/zinc/14/65/42/791146542.db2.gz QBKCFDVUPQQCCC-UHFFFAOYSA-N 1 2 278.356 0.839 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230735758 805656705 /nfs/dbraw/zinc/65/67/05/805656705.db2.gz YJRJZYCJPNVYGJ-ZDUSSCGKSA-N 1 2 275.352 0.811 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230735758 805656709 /nfs/dbraw/zinc/65/67/09/805656709.db2.gz YJRJZYCJPNVYGJ-ZDUSSCGKSA-N 1 2 275.352 0.811 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001231113602 805732034 /nfs/dbraw/zinc/73/20/34/805732034.db2.gz ISBXBLKGWPUVBB-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001231113602 805732039 /nfs/dbraw/zinc/73/20/39/805732039.db2.gz ISBXBLKGWPUVBB-CYBMUJFWSA-N 1 2 281.400 0.964 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC=C ZINC001231113913 805732776 /nfs/dbraw/zinc/73/27/76/805732776.db2.gz JPYXFYCEXGBTMA-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC=C ZINC001231113913 805732782 /nfs/dbraw/zinc/73/27/82/805732782.db2.gz JPYXFYCEXGBTMA-CYBMUJFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001231122939 805735843 /nfs/dbraw/zinc/73/58/43/805735843.db2.gz QCXDQJHAJGJETR-NEPJUHHUSA-N 1 2 265.357 0.374 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001231122939 805735846 /nfs/dbraw/zinc/73/58/46/805735846.db2.gz QCXDQJHAJGJETR-NEPJUHHUSA-N 1 2 265.357 0.374 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231215405 805752678 /nfs/dbraw/zinc/75/26/78/805752678.db2.gz GEQKQGUCUCVRQQ-ZIAGYGMSSA-N 1 2 282.384 0.451 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231215405 805752681 /nfs/dbraw/zinc/75/26/81/805752681.db2.gz GEQKQGUCUCVRQQ-ZIAGYGMSSA-N 1 2 282.384 0.451 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)COCC=C ZINC001231225253 805754469 /nfs/dbraw/zinc/75/44/69/805754469.db2.gz BQXPNKAHGMXNFK-CYBMUJFWSA-N 1 2 295.383 0.024 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)COCC=C ZINC001231225253 805754478 /nfs/dbraw/zinc/75/44/78/805754478.db2.gz BQXPNKAHGMXNFK-CYBMUJFWSA-N 1 2 295.383 0.024 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001231234781 805757277 /nfs/dbraw/zinc/75/72/77/805757277.db2.gz WGPLPBVDVOTKBO-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001231234781 805757283 /nfs/dbraw/zinc/75/72/83/805757283.db2.gz WGPLPBVDVOTKBO-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231247271 805760094 /nfs/dbraw/zinc/76/00/94/805760094.db2.gz MAUPJPVIQDXPPX-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231247271 805760100 /nfs/dbraw/zinc/76/01/00/805760100.db2.gz MAUPJPVIQDXPPX-STQMWFEESA-N 1 2 292.383 0.301 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@H](C)OC)C1 ZINC001277570968 805857343 /nfs/dbraw/zinc/85/73/43/805857343.db2.gz QFNXPMMHIDKJLZ-LBPRGKRZSA-N 1 2 270.373 0.757 20 30 CCEDLO CC(C)C#CC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001277593180 805876586 /nfs/dbraw/zinc/87/65/86/805876586.db2.gz CWXPILHIIQKBAM-UHFFFAOYSA-N 1 2 274.368 0.722 20 30 CCEDLO COC(=O)C1(C#N)CCN(Cc2c[nH+]c(C)[nH]2)CC1 ZINC001232467973 805943904 /nfs/dbraw/zinc/94/39/04/805943904.db2.gz JHRVCTKRIIXYQP-UHFFFAOYSA-N 1 2 262.313 0.997 20 30 CCEDLO COC(=O)C1(C#N)CCN(Cc2c[nH]c(C)[nH+]2)CC1 ZINC001232467973 805943907 /nfs/dbraw/zinc/94/39/07/805943907.db2.gz JHRVCTKRIIXYQP-UHFFFAOYSA-N 1 2 262.313 0.997 20 30 CCEDLO C[C@]1(CO)C[N@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673116 805967014 /nfs/dbraw/zinc/96/70/14/805967014.db2.gz AHRNCNKYGNTMKM-HUUCEWRRSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@]1(CO)C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673116 805967016 /nfs/dbraw/zinc/96/70/16/805967016.db2.gz AHRNCNKYGNTMKM-HUUCEWRRSA-N 1 2 276.336 0.829 20 30 CCEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](CNCC#N)C1CC1 ZINC001277703574 805973144 /nfs/dbraw/zinc/97/31/44/805973144.db2.gz WSKXNZJKPRSWCX-LBPRGKRZSA-N 1 2 261.329 0.302 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001232888909 805990672 /nfs/dbraw/zinc/99/06/72/805990672.db2.gz SYRRWGCCYJDVSX-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001232888909 805990676 /nfs/dbraw/zinc/99/06/76/805990676.db2.gz SYRRWGCCYJDVSX-SMDDNHRTSA-N 1 2 264.300 0.872 20 30 CCEDLO C[N@H+](CCNC(=O)c1occc1Cl)CC(=O)NCC#N ZINC001267215367 791684178 /nfs/dbraw/zinc/68/41/78/791684178.db2.gz LGIGNRGTHVABPI-UHFFFAOYSA-N 1 2 298.730 0.234 20 30 CCEDLO C[N@@H+](CCNC(=O)c1occc1Cl)CC(=O)NCC#N ZINC001267215367 791684185 /nfs/dbraw/zinc/68/41/85/791684185.db2.gz LGIGNRGTHVABPI-UHFFFAOYSA-N 1 2 298.730 0.234 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001233731533 806111336 /nfs/dbraw/zinc/11/13/36/806111336.db2.gz NNIMGXGMDZGBRY-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001233731533 806111342 /nfs/dbraw/zinc/11/13/42/806111342.db2.gz NNIMGXGMDZGBRY-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001233762660 806118449 /nfs/dbraw/zinc/11/84/49/806118449.db2.gz UMCYZRIDYNFDSM-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001233762660 806118453 /nfs/dbraw/zinc/11/84/53/806118453.db2.gz UMCYZRIDYNFDSM-CYBMUJFWSA-N 1 2 279.384 0.459 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC(C)(C)C ZINC001233808426 806124359 /nfs/dbraw/zinc/12/43/59/806124359.db2.gz AJHJKNAVAROVFS-CQSZACIVSA-N 1 2 296.411 0.984 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)COC(C)(C)C ZINC001233808426 806124364 /nfs/dbraw/zinc/12/43/64/806124364.db2.gz AJHJKNAVAROVFS-CQSZACIVSA-N 1 2 296.411 0.984 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234129038 806186993 /nfs/dbraw/zinc/18/69/93/806186993.db2.gz GYQBGRLXPJENBM-ZVHGMHCTSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234129038 806187001 /nfs/dbraw/zinc/18/70/01/806187001.db2.gz GYQBGRLXPJENBM-ZVHGMHCTSA-N 1 2 291.395 0.625 20 30 CCEDLO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186971 806197832 /nfs/dbraw/zinc/19/78/32/806197832.db2.gz QWYQIVSXYVXGIJ-WCQYABFASA-N 1 2 277.368 0.067 20 30 CCEDLO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186971 806197836 /nfs/dbraw/zinc/19/78/36/806197836.db2.gz QWYQIVSXYVXGIJ-WCQYABFASA-N 1 2 277.368 0.067 20 30 CCEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nnc(CC)o1 ZINC001235698910 806493694 /nfs/dbraw/zinc/49/36/94/806493694.db2.gz PHXKWJYEWQRFCU-UHFFFAOYSA-N 1 2 296.371 0.773 20 30 CCEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nnc(CC)o1 ZINC001235698910 806493700 /nfs/dbraw/zinc/49/37/00/806493700.db2.gz PHXKWJYEWQRFCU-UHFFFAOYSA-N 1 2 296.371 0.773 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@H]2CCN2CC#N)c[nH+]1 ZINC001235799034 806506204 /nfs/dbraw/zinc/50/62/04/806506204.db2.gz USDOFQZLHVYCIN-CYBMUJFWSA-N 1 2 289.383 0.983 20 30 CCEDLO C=CC[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278084657 806654084 /nfs/dbraw/zinc/65/40/84/806654084.db2.gz FFGXDMZTHAQDNC-BQBZGAKWSA-N 1 2 258.215 0.140 20 30 CCEDLO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001278084657 806654087 /nfs/dbraw/zinc/65/40/87/806654087.db2.gz FFGXDMZTHAQDNC-BQBZGAKWSA-N 1 2 258.215 0.140 20 30 CCEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nn1 ZINC001120712980 798920381 /nfs/dbraw/zinc/92/03/81/798920381.db2.gz VLQBONQYURAOII-JTQLQIEISA-N 1 2 299.338 0.573 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(C[C@@H](C)O)n2CC=C)CC1 ZINC001121527869 799056417 /nfs/dbraw/zinc/05/64/17/799056417.db2.gz ZCBZMFVYLVAOMB-CYBMUJFWSA-N 1 2 289.383 0.143 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607564 799059873 /nfs/dbraw/zinc/05/98/73/799059873.db2.gz OPHSGQQIVDQAQC-DOMZBBRYSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCn1c(N2CCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607564 799059878 /nfs/dbraw/zinc/05/98/78/799059878.db2.gz OPHSGQQIVDQAQC-DOMZBBRYSA-N 1 2 291.399 0.976 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121750043 799068244 /nfs/dbraw/zinc/06/82/44/799068244.db2.gz WCYIHVLGYUJARL-PWSUYJOCSA-N 1 2 294.355 0.265 20 30 CCEDLO C=CCCC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(=O)OC ZINC001122252009 799180600 /nfs/dbraw/zinc/18/06/00/799180600.db2.gz HZPUYODFDSZOQE-DTWKUNHWSA-N 1 2 278.299 0.983 20 30 CCEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001125248181 799670511 /nfs/dbraw/zinc/67/05/11/799670511.db2.gz OQPCFNOXOPTCMR-UHFFFAOYSA-N 1 2 282.344 0.567 20 30 CCEDLO C[N@@H+](Cc1cccc(Cl)c1C#N)C[C@H](O)CO ZINC001139688370 799829692 /nfs/dbraw/zinc/82/96/92/799829692.db2.gz ISWLAHUUUZOTKK-JTQLQIEISA-N 1 2 254.717 0.997 20 30 CCEDLO C[N@H+](Cc1cccc(Cl)c1C#N)C[C@H](O)CO ZINC001139688370 799829700 /nfs/dbraw/zinc/82/97/00/799829700.db2.gz ISWLAHUUUZOTKK-JTQLQIEISA-N 1 2 254.717 0.997 20 30 CCEDLO O=C1C=C2C[N@H+](CC3C(=O)N=CNC3=O)CC[C@H]2S1 ZINC001140471234 799913157 /nfs/dbraw/zinc/91/31/57/799913157.db2.gz XSGZHWOAIOAECL-SECBINFHSA-N 1 2 279.321 0.662 20 30 CCEDLO C#CCN1CC[NH+](Cc2c(O)c(C)ncc2CO)CC1 ZINC001140868588 799951089 /nfs/dbraw/zinc/95/10/89/799951089.db2.gz ARKLRJDIOLYGDW-UHFFFAOYSA-N 1 2 275.352 0.339 20 30 CCEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CCC#N)c12 ZINC001143194142 800205454 /nfs/dbraw/zinc/20/54/54/800205454.db2.gz LQPJBWQMVYNWAF-UHFFFAOYSA-N 1 2 273.252 0.987 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001149294539 800244962 /nfs/dbraw/zinc/24/49/62/800244962.db2.gz VLCNOTTVWNMJEG-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001149294539 800244966 /nfs/dbraw/zinc/24/49/66/800244966.db2.gz VLCNOTTVWNMJEG-NWDGAFQWSA-N 1 2 290.791 0.981 20 30 CCEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007477 800579662 /nfs/dbraw/zinc/57/96/62/800579662.db2.gz SOXJBUSQZFUWOY-LLVKDONJSA-N 1 2 279.340 0.442 20 30 CCEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007477 800579669 /nfs/dbraw/zinc/57/96/69/800579669.db2.gz SOXJBUSQZFUWOY-LLVKDONJSA-N 1 2 279.340 0.442 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1csnn1 ZINC001153080885 800594195 /nfs/dbraw/zinc/59/41/95/800594195.db2.gz GWZUOXMODXSEPB-UHFFFAOYSA-N 1 2 270.358 0.337 20 30 CCEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001154039575 800708206 /nfs/dbraw/zinc/70/82/06/800708206.db2.gz ZXJMTCVITRMRBA-VXGBXAGGSA-N 1 2 288.413 0.269 20 30 CCEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001154039575 800708209 /nfs/dbraw/zinc/70/82/09/800708209.db2.gz ZXJMTCVITRMRBA-VXGBXAGGSA-N 1 2 288.413 0.269 20 30 CCEDLO N#CCc1cc[nH+]c(N[C@H]2CCS(=O)(=O)C2)c1 ZINC001155054442 800899390 /nfs/dbraw/zinc/89/93/90/800899390.db2.gz QHJHOUKBIMGOIG-JTQLQIEISA-N 1 2 251.311 0.747 20 30 CCEDLO N#CCc1cc[nH+]c(N[C@@H]2CCS(=O)(=O)C2)c1 ZINC001155054445 800899424 /nfs/dbraw/zinc/89/94/24/800899424.db2.gz QHJHOUKBIMGOIG-SNVBAGLBSA-N 1 2 251.311 0.747 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2nnc(Cl)cc2C#N)C1 ZINC001155194112 800927243 /nfs/dbraw/zinc/92/72/43/800927243.db2.gz OTFPOWLRMDXBHB-SECBINFHSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2nnc(Cl)cc2C#N)C1 ZINC001155194112 800927250 /nfs/dbraw/zinc/92/72/50/800927250.db2.gz OTFPOWLRMDXBHB-SECBINFHSA-N 1 2 267.720 0.744 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNC(=S)Nc1ccc(C#N)cc1 ZINC001239389753 806897364 /nfs/dbraw/zinc/89/73/64/806897364.db2.gz NKVBNBORSMUCRA-LLVKDONJSA-N 1 2 292.364 0.735 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001157870147 801508110 /nfs/dbraw/zinc/50/81/10/801508110.db2.gz XJQUXROAGHFTDU-LLVKDONJSA-N 1 2 294.355 0.266 20 30 CCEDLO N#Cc1ccc(-c2ccncc2)nc1-n1[nH]c(=O)nc1C[NH3+] ZINC001157940627 801534200 /nfs/dbraw/zinc/53/42/00/801534200.db2.gz FDNQVAWHZJAQRL-UHFFFAOYSA-N 1 2 293.290 0.760 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC#N)c(C)n2)C[NH2+]1 ZINC001158256652 801607221 /nfs/dbraw/zinc/60/72/21/801607221.db2.gz PHZDJJURMPYLHJ-NEPJUHHUSA-N 1 2 274.324 0.772 20 30 CCEDLO Cn1c[nH+]cc1CN1CCN(c2nccnc2C#N)CC1 ZINC001204388198 801769708 /nfs/dbraw/zinc/76/97/08/801769708.db2.gz XDILOKQEODGHDW-UHFFFAOYSA-N 1 2 283.339 0.404 20 30 CCEDLO N#CCN1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161328394 802127574 /nfs/dbraw/zinc/12/75/74/802127574.db2.gz WBJCFZDEEHIFNU-UHFFFAOYSA-N 1 2 273.340 0.614 20 30 CCEDLO CC[C@H](CC#N)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001255164781 808325366 /nfs/dbraw/zinc/32/53/66/808325366.db2.gz NMZCIUFPHFBNSW-GHMZBOCLSA-N 1 2 250.302 0.791 20 30 CCEDLO COC(=O)c1nc(N2CC[NH2+]C[C@H]2C#N)ccc1Cl ZINC001164642280 802774721 /nfs/dbraw/zinc/77/47/21/802774721.db2.gz UAJHZOFTJAXBOF-MRVPVSSYSA-N 1 2 280.715 0.823 20 30 CCEDLO COC(=O)/C=C/c1cc(C)cnc1N1CC[NH2+]C[C@H]1C#N ZINC001164652992 802776934 /nfs/dbraw/zinc/77/69/34/802776934.db2.gz YARDECLXJSTUQQ-ITDFMYJTSA-N 1 2 286.335 0.878 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1ccc[nH]1 ZINC001268257352 812426409 /nfs/dbraw/zinc/42/64/09/812426409.db2.gz QNFVGCUSKJXWHQ-UHFFFAOYSA-N 1 2 292.383 0.250 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cc1ccc[nH]1 ZINC001268257352 812426410 /nfs/dbraw/zinc/42/64/10/812426410.db2.gz QNFVGCUSKJXWHQ-UHFFFAOYSA-N 1 2 292.383 0.250 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206392361 803238124 /nfs/dbraw/zinc/23/81/24/803238124.db2.gz GUNFKSAHMAYYGO-PUZDAVHHSA-N 1 2 292.383 0.419 20 30 CCEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206392361 803238126 /nfs/dbraw/zinc/23/81/26/803238126.db2.gz GUNFKSAHMAYYGO-PUZDAVHHSA-N 1 2 292.383 0.419 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209055417 803571789 /nfs/dbraw/zinc/57/17/89/803571789.db2.gz UFGNNQOYMYFBPZ-JHJVBQTASA-N 1 2 294.399 0.355 20 30 CCEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001209055417 803571790 /nfs/dbraw/zinc/57/17/90/803571790.db2.gz UFGNNQOYMYFBPZ-JHJVBQTASA-N 1 2 294.399 0.355 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)O1 ZINC001209279846 803587326 /nfs/dbraw/zinc/58/73/26/803587326.db2.gz FALCUZIVJRDITF-CZXHOFHRSA-N 1 2 284.356 0.095 20 30 CCEDLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@](C)(C#N)C2)O1 ZINC001209279846 803587329 /nfs/dbraw/zinc/58/73/29/803587329.db2.gz FALCUZIVJRDITF-CZXHOFHRSA-N 1 2 284.356 0.095 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433421 803682157 /nfs/dbraw/zinc/68/21/57/803682157.db2.gz KULGOWFAQIKQFD-CHWSQXEVSA-N 1 2 275.356 0.623 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)OC)[C@H](OC)C1 ZINC001213407591 803693630 /nfs/dbraw/zinc/69/36/30/803693630.db2.gz SJRLBCUSGCFIBR-HZSPNIEDSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)OC)[C@H](OC)C1 ZINC001213407591 803693636 /nfs/dbraw/zinc/69/36/36/803693636.db2.gz SJRLBCUSGCFIBR-HZSPNIEDSA-N 1 2 282.384 0.496 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@H](OC)C1 ZINC001213416811 803693702 /nfs/dbraw/zinc/69/37/02/803693702.db2.gz MBTQDOBNOWOMJQ-NXEZZACHSA-N 1 2 274.311 0.726 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@H](OC)C1 ZINC001213416811 803693706 /nfs/dbraw/zinc/69/37/06/803693706.db2.gz MBTQDOBNOWOMJQ-NXEZZACHSA-N 1 2 274.311 0.726 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CSC(C)C)[C@H]2C1 ZINC001217316632 803884645 /nfs/dbraw/zinc/88/46/45/803884645.db2.gz ZPOXLVHHNXSYAU-QWHCGFSZSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSC(C)C)[C@H]2C1 ZINC001217316632 803884655 /nfs/dbraw/zinc/88/46/55/803884655.db2.gz ZPOXLVHHNXSYAU-QWHCGFSZSA-N 1 2 282.409 0.673 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCOCC(C)C)[C@H]2C1 ZINC001217366215 803887486 /nfs/dbraw/zinc/88/74/86/803887486.db2.gz KMMVSBZKONTTAA-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCOCC(C)C)[C@H]2C1 ZINC001217366215 803887496 /nfs/dbraw/zinc/88/74/96/803887496.db2.gz KMMVSBZKONTTAA-LSDHHAIUSA-N 1 2 294.395 0.594 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC)[C@H]2C1 ZINC001217366603 803889038 /nfs/dbraw/zinc/88/90/38/803889038.db2.gz RWHJOVFLCPYSEF-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OCC)[C@H]2C1 ZINC001217366603 803889046 /nfs/dbraw/zinc/88/90/46/803889046.db2.gz RWHJOVFLCPYSEF-HZSPNIEDSA-N 1 2 280.368 0.346 20 30 CCEDLO CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039143 814982808 /nfs/dbraw/zinc/98/28/08/814982808.db2.gz FSXSLCUDIVBOKN-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039143 814982811 /nfs/dbraw/zinc/98/28/11/814982811.db2.gz FSXSLCUDIVBOKN-OASPWFOLSA-N 1 2 292.339 0.458 20 30 CCEDLO COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1COC[NH2+]1 ZINC001218605674 804032133 /nfs/dbraw/zinc/03/21/33/804032133.db2.gz VCDCFWYECONVSS-ZETCQYMHSA-N 1 2 281.293 0.291 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212064319 814986922 /nfs/dbraw/zinc/98/69/22/814986922.db2.gz RNGIEBQUGGIGIX-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212064319 814986926 /nfs/dbraw/zinc/98/69/26/814986926.db2.gz RNGIEBQUGGIGIX-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C(C)C)C1=O ZINC001276793074 804083325 /nfs/dbraw/zinc/08/33/25/804083325.db2.gz OORDYFQVABKFFI-CHWSQXEVSA-N 1 2 279.384 0.620 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C(C)C)C1=O ZINC001276793074 804083333 /nfs/dbraw/zinc/08/33/33/804083333.db2.gz OORDYFQVABKFFI-CHWSQXEVSA-N 1 2 279.384 0.620 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001276801652 804189714 /nfs/dbraw/zinc/18/97/14/804189714.db2.gz RVWWCYFLNSHDSK-OLZOCXBDSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001276801652 804189717 /nfs/dbraw/zinc/18/97/17/804189717.db2.gz RVWWCYFLNSHDSK-OLZOCXBDSA-N 1 2 252.358 0.871 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001219198190 804232112 /nfs/dbraw/zinc/23/21/12/804232112.db2.gz OJJDSARFLRJTFY-OLZOCXBDSA-N 1 2 282.384 0.234 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001219198190 804232119 /nfs/dbraw/zinc/23/21/19/804232119.db2.gz OJJDSARFLRJTFY-OLZOCXBDSA-N 1 2 282.384 0.234 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219344438 804278694 /nfs/dbraw/zinc/27/86/94/804278694.db2.gz KNPGGXYSCUVUGG-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219344438 804278698 /nfs/dbraw/zinc/27/86/98/804278698.db2.gz KNPGGXYSCUVUGG-OLZOCXBDSA-N 1 2 279.340 0.611 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598048 804365890 /nfs/dbraw/zinc/36/58/90/804365890.db2.gz GIFIQXLLDJOWEQ-UPJWGTAASA-N 1 2 284.375 0.945 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598048 804365899 /nfs/dbraw/zinc/36/58/99/804365899.db2.gz GIFIQXLLDJOWEQ-UPJWGTAASA-N 1 2 284.375 0.945 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219715853 804413160 /nfs/dbraw/zinc/41/31/60/804413160.db2.gz NSXOPBLESBLUGX-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001219715853 804413165 /nfs/dbraw/zinc/41/31/65/804413165.db2.gz NSXOPBLESBLUGX-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)OCC ZINC001219726194 804414418 /nfs/dbraw/zinc/41/44/18/804414418.db2.gz RSLCSLWKKCKSKZ-FRRDWIJNSA-N 1 2 288.363 0.489 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)OCC ZINC001219726194 804414421 /nfs/dbraw/zinc/41/44/21/804414421.db2.gz RSLCSLWKKCKSKZ-FRRDWIJNSA-N 1 2 288.363 0.489 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220292096 804563918 /nfs/dbraw/zinc/56/39/18/804563918.db2.gz NOBGCKKSBSKCBT-YCPHGPKFSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220292096 804563923 /nfs/dbraw/zinc/56/39/23/804563923.db2.gz NOBGCKKSBSKCBT-YCPHGPKFSA-N 1 2 294.395 0.400 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001220519799 804618557 /nfs/dbraw/zinc/61/85/57/804618557.db2.gz CHFYSTTXSWBLHQ-BNOWGMLFSA-N 1 2 292.383 0.326 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001220519799 804618563 /nfs/dbraw/zinc/61/85/63/804618563.db2.gz CHFYSTTXSWBLHQ-BNOWGMLFSA-N 1 2 292.383 0.326 20 30 CCEDLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@@](C)(C#N)CC(C)C ZINC001221292638 804768472 /nfs/dbraw/zinc/76/84/72/804768472.db2.gz PWISGLOTCPWSHT-JOYOIKCWSA-N 1 2 255.318 0.321 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738498 804841683 /nfs/dbraw/zinc/84/16/83/804841683.db2.gz KAFQCPPTTXLSGP-FRRDWIJNSA-N 1 2 297.374 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738498 804841692 /nfs/dbraw/zinc/84/16/92/804841692.db2.gz KAFQCPPTTXLSGP-FRRDWIJNSA-N 1 2 297.374 0.569 20 30 CCEDLO C=CCOCC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001226589764 805252066 /nfs/dbraw/zinc/25/20/66/805252066.db2.gz ZRWYYWFLQICNFK-UHFFFAOYSA-N 1 2 294.355 0.661 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228141936 805417439 /nfs/dbraw/zinc/41/74/39/805417439.db2.gz XGMDHFAMKQTNJS-WQDSJKFHSA-N 1 2 294.267 0.082 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228141936 805417445 /nfs/dbraw/zinc/41/74/45/805417445.db2.gz XGMDHFAMKQTNJS-WQDSJKFHSA-N 1 2 294.267 0.082 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cnccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228989381 805493989 /nfs/dbraw/zinc/49/39/89/805493989.db2.gz HVUKKSLDAHYATE-ROHLRWBXSA-N 1 2 272.308 0.949 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cnccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228989381 805493995 /nfs/dbraw/zinc/49/39/95/805493995.db2.gz HVUKKSLDAHYATE-ROHLRWBXSA-N 1 2 272.308 0.949 20 30 CCEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C#Cc1cccs1 ZINC001168350285 815105058 /nfs/dbraw/zinc/10/50/58/815105058.db2.gz UJSGHSNIHBSBQX-NSHDSACASA-N 1 2 275.333 0.683 20 30 CCEDLO C=CCCNC(=S)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001247679267 807477488 /nfs/dbraw/zinc/47/74/88/807477488.db2.gz GGPRBVHNBVOIOA-LLVKDONJSA-N 1 2 296.396 0.544 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](O)C1 ZINC001083470623 815121634 /nfs/dbraw/zinc/12/16/34/815121634.db2.gz CINFEDUYHHBUPO-BDAKNGLRSA-N 1 2 283.353 0.113 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](O)C1 ZINC001083470623 815121638 /nfs/dbraw/zinc/12/16/38/815121638.db2.gz CINFEDUYHHBUPO-BDAKNGLRSA-N 1 2 283.353 0.113 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC001278494640 807497180 /nfs/dbraw/zinc/49/71/80/807497180.db2.gz QFBAJSZMXILZNI-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC001278494640 807497182 /nfs/dbraw/zinc/49/71/82/807497182.db2.gz QFBAJSZMXILZNI-UWVGGRQHSA-N 1 2 289.326 0.523 20 30 CCEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075967106 815129810 /nfs/dbraw/zinc/12/98/10/815129810.db2.gz HGUFTTIEVCOYGD-MELADBBJSA-N 1 2 299.378 0.502 20 30 CCEDLO COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC001251026421 807646574 /nfs/dbraw/zinc/64/65/74/807646574.db2.gz RGPKBOUPDUHHQZ-CQSZACIVSA-N 1 2 291.351 0.672 20 30 CCEDLO CC(C)C[C@H](C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251044486 807654577 /nfs/dbraw/zinc/65/45/77/807654577.db2.gz YGUQXMRHFZYECS-OLZOCXBDSA-N 1 2 255.362 0.207 20 30 CCEDLO N#C[C@@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001251036193 807651129 /nfs/dbraw/zinc/65/11/29/807651129.db2.gz ARGZOYARUWPWOJ-HUUCEWRRSA-N 1 2 293.342 0.673 20 30 CCEDLO CC(C)C[C@@](C)(C#N)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251046111 807654741 /nfs/dbraw/zinc/65/47/41/807654741.db2.gz LFNVPDHGWMMXHW-KBPBESRZSA-N 1 2 269.389 0.597 20 30 CCEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001251821071 807708579 /nfs/dbraw/zinc/70/85/79/807708579.db2.gz FWWOEHOBQWYZPS-UONOGXRCSA-N 1 2 283.368 0.709 20 30 CCEDLO C#CCOC[C@@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001251826062 807711537 /nfs/dbraw/zinc/71/15/37/807711537.db2.gz IMNIUNVURQISPI-LBPRGKRZSA-N 1 2 250.298 0.903 20 30 CCEDLO C#CCOC[C@@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001251829426 807713036 /nfs/dbraw/zinc/71/30/36/807713036.db2.gz VDUQTXGXIGNYHX-KBPBESRZSA-N 1 2 291.351 0.075 20 30 CCEDLO C#CCOC[C@H](O)C[NH+]1CCN(C(C)(C)C)CC1 ZINC001251848294 807717156 /nfs/dbraw/zinc/71/71/56/807717156.db2.gz YGUCRBAFKLGQLF-CYBMUJFWSA-N 1 2 254.374 0.413 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001251851497 807720173 /nfs/dbraw/zinc/72/01/73/807720173.db2.gz MATWHTWTLPDXKQ-GFCCVEGCSA-N 1 2 271.357 0.661 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+](CC)CC(=O)OC(C)(C)C ZINC001251851497 807720176 /nfs/dbraw/zinc/72/01/76/807720176.db2.gz MATWHTWTLPDXKQ-GFCCVEGCSA-N 1 2 271.357 0.661 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CCc2cnc(SC)nc2C1 ZINC001251854481 807722325 /nfs/dbraw/zinc/72/23/25/807722325.db2.gz DZCIFRMEFHMYSU-GFCCVEGCSA-N 1 2 293.392 0.567 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001251854481 807722331 /nfs/dbraw/zinc/72/23/31/807722331.db2.gz DZCIFRMEFHMYSU-GFCCVEGCSA-N 1 2 293.392 0.567 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001251857397 807723985 /nfs/dbraw/zinc/72/39/85/807723985.db2.gz BTNOLORMXPQQFZ-HNNXBMFYSA-N 1 2 291.347 0.672 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001251857397 807723987 /nfs/dbraw/zinc/72/39/87/807723987.db2.gz BTNOLORMXPQQFZ-HNNXBMFYSA-N 1 2 291.347 0.672 20 30 CCEDLO C=CCOC[C@@H](O)C[NH+]1CCN(CCCC)CC1 ZINC001252467290 807877552 /nfs/dbraw/zinc/87/75/52/807877552.db2.gz XGAQMXRWJUIJDT-AWEZNQCLSA-N 1 2 256.390 0.968 20 30 CCEDLO C=C[C@@](C)(O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252545932 807906285 /nfs/dbraw/zinc/90/62/85/807906285.db2.gz QPYVTNSPDBEPKR-CQSZACIVSA-N 1 2 280.372 0.564 20 30 CCEDLO C=C[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001253568001 808081366 /nfs/dbraw/zinc/08/13/66/808081366.db2.gz BFWWFLSNYNCKRV-JTQLQIEISA-N 1 2 250.302 0.272 20 30 CCEDLO C=C[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001253568001 808081373 /nfs/dbraw/zinc/08/13/73/808081373.db2.gz BFWWFLSNYNCKRV-JTQLQIEISA-N 1 2 250.302 0.272 20 30 CCEDLO C=C[C@H](O)CN1CC[NH+](CCc2ccncc2)CC1 ZINC001253578415 808087884 /nfs/dbraw/zinc/08/78/84/808087884.db2.gz ARQIAARUJDTFHX-HNNXBMFYSA-N 1 2 261.369 0.789 20 30 CCEDLO COCc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126875102 815174904 /nfs/dbraw/zinc/17/49/04/815174904.db2.gz ADHBOFNUMRMBSX-SNVBAGLBSA-N 1 2 292.339 0.396 20 30 CCEDLO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278761894 808181163 /nfs/dbraw/zinc/18/11/63/808181163.db2.gz KFPMBPGIOVMDFQ-DTWKUNHWSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001278761894 808181167 /nfs/dbraw/zinc/18/11/67/808181167.db2.gz KFPMBPGIOVMDFQ-DTWKUNHWSA-N 1 2 284.253 0.319 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)OC(C)C)CC1 ZINC001256696579 808552793 /nfs/dbraw/zinc/55/27/93/808552793.db2.gz FZAAYWJPCHQWTE-UHFFFAOYSA-N 1 2 266.341 0.399 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001261349301 808958734 /nfs/dbraw/zinc/95/87/34/808958734.db2.gz XJGYCDDEKMSKKZ-ZDUSSCGKSA-N 1 2 291.395 0.860 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(CC[N@H+]2CCOC[C@H]2C)C1=O ZINC001262199671 809238184 /nfs/dbraw/zinc/23/81/84/809238184.db2.gz VWOQOOQHTHBQPH-CHWSQXEVSA-N 1 2 295.383 0.984 20 30 CCEDLO C=CCCC[C@H]1NC(=O)N(CC[N@@H+]2CCOC[C@H]2C)C1=O ZINC001262199671 809238189 /nfs/dbraw/zinc/23/81/89/809238189.db2.gz VWOQOOQHTHBQPH-CHWSQXEVSA-N 1 2 295.383 0.984 20 30 CCEDLO C=C1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001262856567 809417509 /nfs/dbraw/zinc/41/75/09/809417509.db2.gz QOIDEFCSOQYOPP-DOMZBBRYSA-N 1 2 291.399 0.883 20 30 CCEDLO C=C1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001262856567 809417514 /nfs/dbraw/zinc/41/75/14/809417514.db2.gz QOIDEFCSOQYOPP-DOMZBBRYSA-N 1 2 291.399 0.883 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001076500525 815303527 /nfs/dbraw/zinc/30/35/27/815303527.db2.gz CASWHGALGROEFA-WCQYABFASA-N 1 2 273.340 0.317 20 30 CCEDLO CC[N@H+](CCCNC(=O)[C@@H](C)C#N)Cc1ncnn1C ZINC001265106819 809709492 /nfs/dbraw/zinc/70/94/92/809709492.db2.gz SJVPNUXYTKZYFL-NSHDSACASA-N 1 2 278.360 0.303 20 30 CCEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)C#N)Cc1ncnn1C ZINC001265106819 809709496 /nfs/dbraw/zinc/70/94/96/809709496.db2.gz SJVPNUXYTKZYFL-NSHDSACASA-N 1 2 278.360 0.303 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccnnc2)C1 ZINC001265227581 809727587 /nfs/dbraw/zinc/72/75/87/809727587.db2.gz YWJMQNCEMZINPC-AWEZNQCLSA-N 1 2 288.351 0.321 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccnnc2)C1 ZINC001265227581 809727589 /nfs/dbraw/zinc/72/75/89/809727589.db2.gz YWJMQNCEMZINPC-AWEZNQCLSA-N 1 2 288.351 0.321 20 30 CCEDLO C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NCC#N ZINC001266154508 809949666 /nfs/dbraw/zinc/94/96/66/809949666.db2.gz BDGGFUUZGJQFDO-VXGBXAGGSA-N 1 2 275.356 0.453 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001076719739 815355023 /nfs/dbraw/zinc/35/50/23/815355023.db2.gz LVNOREAIZKEPDY-GHMZBOCLSA-N 1 2 250.323 0.156 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001076719739 815355030 /nfs/dbraw/zinc/35/50/30/815355030.db2.gz LVNOREAIZKEPDY-GHMZBOCLSA-N 1 2 250.323 0.156 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038287375 811212684 /nfs/dbraw/zinc/21/26/84/811212684.db2.gz OVDCSFNZAJBUBH-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001038287375 811212691 /nfs/dbraw/zinc/21/26/91/811212691.db2.gz OVDCSFNZAJBUBH-SNVBAGLBSA-N 1 2 280.759 0.901 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC#N ZINC000355672977 811241264 /nfs/dbraw/zinc/24/12/64/811241264.db2.gz SNYQVQKSRGUBQI-VXGBXAGGSA-N 1 2 266.345 0.405 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCOC3)[C@H]2C1 ZINC001083277909 811486539 /nfs/dbraw/zinc/48/65/39/811486539.db2.gz YAFXDGZCTDKJBD-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCOC3)[C@H]2C1 ZINC001083277909 811486546 /nfs/dbraw/zinc/48/65/46/811486546.db2.gz YAFXDGZCTDKJBD-SOUVJXGZSA-N 1 2 292.379 0.348 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983851 818169224 /nfs/dbraw/zinc/16/92/24/818169224.db2.gz OYMMVLSNQYNPKO-JGVFFNPUSA-N 1 2 268.691 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001089983851 818169233 /nfs/dbraw/zinc/16/92/33/818169233.db2.gz OYMMVLSNQYNPKO-JGVFFNPUSA-N 1 2 268.691 0.555 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001267638175 811599004 /nfs/dbraw/zinc/59/90/04/811599004.db2.gz TVVWNEVGWWDSND-OLZOCXBDSA-N 1 2 268.357 0.414 20 30 CCEDLO Cc1cc(C[NH+]2CC(CNC(=O)C#CC(C)C)C2)ncn1 ZINC001267680245 811645379 /nfs/dbraw/zinc/64/53/79/811645379.db2.gz HBLSIUNLGVPXAG-UHFFFAOYSA-N 1 2 286.379 0.992 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001077290246 815473589 /nfs/dbraw/zinc/47/35/89/815473589.db2.gz APXAHEZLKOTOJF-CHWSQXEVSA-N 1 2 290.367 0.249 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001077290246 815473593 /nfs/dbraw/zinc/47/35/93/815473593.db2.gz APXAHEZLKOTOJF-CHWSQXEVSA-N 1 2 290.367 0.249 20 30 CCEDLO C[C@H](CC(=O)NC[C@@H](C)CNCC#N)n1cc[nH+]c1 ZINC001268006209 811943111 /nfs/dbraw/zinc/94/31/11/811943111.db2.gz XTQFUVNWORYFPV-NWDGAFQWSA-N 1 2 263.345 0.700 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001038751048 812037823 /nfs/dbraw/zinc/03/78/23/812037823.db2.gz HMWMVEBPMIAFGP-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001038751048 812037830 /nfs/dbraw/zinc/03/78/30/812037830.db2.gz HMWMVEBPMIAFGP-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC001268169593 812338965 /nfs/dbraw/zinc/33/89/65/812338965.db2.gz JVJUAMGIZLGOCL-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC001268169593 812338973 /nfs/dbraw/zinc/33/89/73/812338973.db2.gz JVJUAMGIZLGOCL-STQMWFEESA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)[C@H](CC(=O)NC1C[NH+](C[C@H](C)O)C1)OCC ZINC001268309946 812472888 /nfs/dbraw/zinc/47/28/88/812472888.db2.gz BFXZFKSYMSMOCK-AAEUAGOBSA-N 1 2 270.373 0.539 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CCNCC#N)c[nH+]1 ZINC001268376107 812530779 /nfs/dbraw/zinc/53/07/79/812530779.db2.gz VOHCQFAENLFEFO-LLVKDONJSA-N 1 2 277.372 0.935 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001268473663 812629885 /nfs/dbraw/zinc/62/98/85/812629885.db2.gz CFGKEDUPCFADTD-UHFFFAOYSA-N 1 2 265.357 0.279 20 30 CCEDLO N#Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)nc1 ZINC001211789328 812733992 /nfs/dbraw/zinc/73/39/92/812733992.db2.gz OIRWLTAHFYRIHC-SNVBAGLBSA-N 1 2 271.280 0.570 20 30 CCEDLO N#Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)nc1 ZINC001211789328 812733997 /nfs/dbraw/zinc/73/39/97/812733997.db2.gz OIRWLTAHFYRIHC-SNVBAGLBSA-N 1 2 271.280 0.570 20 30 CCEDLO N#CCNCC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268556516 812794882 /nfs/dbraw/zinc/79/48/82/812794882.db2.gz POZHWCHSPDGGAE-OWOJBTEDSA-N 1 2 269.308 0.962 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001028536043 812825832 /nfs/dbraw/zinc/82/58/32/812825832.db2.gz KPJPFTOOGOONFI-QWHCGFSZSA-N 1 2 286.379 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001028536043 812825844 /nfs/dbraw/zinc/82/58/44/812825844.db2.gz KPJPFTOOGOONFI-QWHCGFSZSA-N 1 2 286.379 0.901 20 30 CCEDLO CC#CCCCC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001268581154 812866697 /nfs/dbraw/zinc/86/66/97/812866697.db2.gz VOIZOWGAJDVTLB-BQYQJAHWSA-N 1 2 289.383 0.771 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@@H](O)C1 ZINC001083363655 812912167 /nfs/dbraw/zinc/91/21/67/812912167.db2.gz BYJHDRZDTQHWJX-ZJUUUORDSA-N 1 2 267.354 0.412 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@@H](O)C1 ZINC001083363655 812912169 /nfs/dbraw/zinc/91/21/69/812912169.db2.gz BYJHDRZDTQHWJX-ZJUUUORDSA-N 1 2 267.354 0.412 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001268729579 813044713 /nfs/dbraw/zinc/04/47/13/813044713.db2.gz HGCASWJBILMYSL-CHWSQXEVSA-N 1 2 292.383 0.395 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001268729579 813044721 /nfs/dbraw/zinc/04/47/21/813044721.db2.gz HGCASWJBILMYSL-CHWSQXEVSA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649988 813143513 /nfs/dbraw/zinc/14/35/13/813143513.db2.gz PBYUGIWGRBTOLT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649988 813143517 /nfs/dbraw/zinc/14/35/17/813143517.db2.gz PBYUGIWGRBTOLT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649988 813143520 /nfs/dbraw/zinc/14/35/20/813143520.db2.gz PBYUGIWGRBTOLT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649988 813143523 /nfs/dbraw/zinc/14/35/23/813143523.db2.gz PBYUGIWGRBTOLT-SECBINFHSA-N 1 2 269.736 0.609 20 30 CCEDLO C#CC(=O)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001268942124 813151350 /nfs/dbraw/zinc/15/13/50/813151350.db2.gz KCDHOVZQHKGJRE-UHFFFAOYSA-N 1 2 285.347 0.845 20 30 CCEDLO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001268968737 813164479 /nfs/dbraw/zinc/16/44/79/813164479.db2.gz YIBPWRAKBBHMGM-MELADBBJSA-N 1 2 293.411 0.962 20 30 CCEDLO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001268968737 813164483 /nfs/dbraw/zinc/16/44/83/813164483.db2.gz YIBPWRAKBBHMGM-MELADBBJSA-N 1 2 293.411 0.962 20 30 CCEDLO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269121639 813226986 /nfs/dbraw/zinc/22/69/86/813226986.db2.gz HOJXQUDPPWQSTL-GFCCVEGCSA-N 1 2 292.383 0.253 20 30 CCEDLO CC1(C)CC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269121639 813226991 /nfs/dbraw/zinc/22/69/91/813226991.db2.gz HOJXQUDPPWQSTL-GFCCVEGCSA-N 1 2 292.383 0.253 20 30 CCEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001059079220 813239723 /nfs/dbraw/zinc/23/97/23/813239723.db2.gz DOTPTZKMRFUGOK-LBPRGKRZSA-N 1 2 296.334 0.354 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001269198769 813260168 /nfs/dbraw/zinc/26/01/68/813260168.db2.gz AVCQTYYEBYDAFA-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001269198769 813260170 /nfs/dbraw/zinc/26/01/70/813260170.db2.gz AVCQTYYEBYDAFA-DGCLKSJQSA-N 1 2 292.383 0.253 20 30 CCEDLO O=C(C#CC1CC1)NCC1([NH2+]Cc2nncs2)CC1 ZINC001269411445 813360918 /nfs/dbraw/zinc/36/09/18/813360918.db2.gz HUJLJQURFJGBMP-UHFFFAOYSA-N 1 2 276.365 0.690 20 30 CCEDLO CC(C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270529229 813798972 /nfs/dbraw/zinc/79/89/72/813798972.db2.gz JJMRINYMWYAXBU-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001270529229 813798978 /nfs/dbraw/zinc/79/89/78/813798978.db2.gz JJMRINYMWYAXBU-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC[C@H](C)OC)C1 ZINC001270637365 813863811 /nfs/dbraw/zinc/86/38/11/813863811.db2.gz BJGXTYWPSFAYEQ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC[C@H](C)OC)C1 ZINC001270637365 813863822 /nfs/dbraw/zinc/86/38/22/813863822.db2.gz BJGXTYWPSFAYEQ-QWHCGFSZSA-N 1 2 270.373 0.805 20 30 CCEDLO C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)CSCC#N ZINC001270896561 814055528 /nfs/dbraw/zinc/05/55/28/814055528.db2.gz SLSMRSQYNYIJII-SECBINFHSA-N 1 2 299.425 0.731 20 30 CCEDLO N#CCN1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001271102123 814150981 /nfs/dbraw/zinc/15/09/81/814150981.db2.gz XYGARMWSZKDFRQ-SNVBAGLBSA-N 1 2 297.309 0.549 20 30 CCEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCCC#N ZINC001271252733 814352910 /nfs/dbraw/zinc/35/29/10/814352910.db2.gz OSRIOFRIZPPIFM-KBPBESRZSA-N 1 2 295.383 0.976 20 30 CCEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCCC#N ZINC001271252733 814352919 /nfs/dbraw/zinc/35/29/19/814352919.db2.gz OSRIOFRIZPPIFM-KBPBESRZSA-N 1 2 295.383 0.976 20 30 CCEDLO C=CCOCC[NH+]1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001271262167 814355539 /nfs/dbraw/zinc/35/55/39/814355539.db2.gz BAKKOOFOYHNDAG-SREVYHEPSA-N 1 2 296.411 0.954 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001280414668 814513555 /nfs/dbraw/zinc/51/35/55/814513555.db2.gz CNTSRRCWLJWTDV-STQMWFEESA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001280414668 814513561 /nfs/dbraw/zinc/51/35/61/814513561.db2.gz CNTSRRCWLJWTDV-STQMWFEESA-N 1 2 286.372 0.041 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C ZINC001271957138 814651225 /nfs/dbraw/zinc/65/12/25/814651225.db2.gz JKZMCZWAPTVMIB-RYUDHWBXSA-N 1 2 267.373 0.335 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C ZINC001271957138 814651228 /nfs/dbraw/zinc/65/12/28/814651228.db2.gz JKZMCZWAPTVMIB-RYUDHWBXSA-N 1 2 267.373 0.335 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001038473566 814895935 /nfs/dbraw/zinc/89/59/35/814895935.db2.gz OXBFKRYQQKPTQV-AWEZNQCLSA-N 1 2 297.358 0.643 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001038473566 814895939 /nfs/dbraw/zinc/89/59/39/814895939.db2.gz OXBFKRYQQKPTQV-AWEZNQCLSA-N 1 2 297.358 0.643 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001083675540 815651586 /nfs/dbraw/zinc/65/15/86/815651586.db2.gz HQRMGMLGIKNMES-KGLIPLIRSA-N 1 2 276.380 0.751 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001083675540 815651590 /nfs/dbraw/zinc/65/15/90/815651590.db2.gz HQRMGMLGIKNMES-KGLIPLIRSA-N 1 2 276.380 0.751 20 30 CCEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC001088841009 815876994 /nfs/dbraw/zinc/87/69/94/815876994.db2.gz HZGMOPZXLAXTSK-SCZZXKLOSA-N 1 2 252.293 0.927 20 30 CCEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC001088841009 815877002 /nfs/dbraw/zinc/87/70/02/815877002.db2.gz HZGMOPZXLAXTSK-SCZZXKLOSA-N 1 2 252.293 0.927 20 30 CCEDLO N#Cc1cc(C(=O)NC2C[NH+](CCOC3CCC3)C2)c[nH]1 ZINC001030235035 815915800 /nfs/dbraw/zinc/91/58/00/815915800.db2.gz NDEXIUACGIHPCZ-UHFFFAOYSA-N 1 2 288.351 0.869 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnn(C)c2C)C1 ZINC001030419061 816027536 /nfs/dbraw/zinc/02/75/36/816027536.db2.gz QSJZUOAZXNTJHN-UHFFFAOYSA-N 1 2 262.357 0.648 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cnccc2OC)C1 ZINC001030514231 816081312 /nfs/dbraw/zinc/08/13/12/816081312.db2.gz JZKRYOUIMDJCOW-UHFFFAOYSA-N 1 2 273.336 0.456 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106051163 816128448 /nfs/dbraw/zinc/12/84/48/816128448.db2.gz BCYWQWULKXJCCF-LLVKDONJSA-N 1 2 278.356 0.886 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001030613355 816148520 /nfs/dbraw/zinc/14/85/20/816148520.db2.gz CCJKKVMAMNWFCR-UHFFFAOYSA-N 1 2 269.308 0.347 20 30 CCEDLO CC(C)=C(F)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046021382 816290251 /nfs/dbraw/zinc/29/02/51/816290251.db2.gz FDKJZKGNSNAJGE-ZDUSSCGKSA-N 1 2 294.374 0.992 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030934967 816462636 /nfs/dbraw/zinc/46/26/36/816462636.db2.gz TYJKOUBCFHOUOL-LBPRGKRZSA-N 1 2 272.352 0.653 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1 ZINC001272496150 816505966 /nfs/dbraw/zinc/50/59/66/816505966.db2.gz LZODZBVHFCECKB-LBPRGKRZSA-N 1 2 294.355 0.138 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CC(=C)C)C1 ZINC001030977703 816525829 /nfs/dbraw/zinc/52/58/29/816525829.db2.gz VQUIEFDSIIIUPJ-OLZOCXBDSA-N 1 2 250.342 0.954 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001077525443 816586234 /nfs/dbraw/zinc/58/62/34/816586234.db2.gz WWQKOROJBSZYDM-CHWSQXEVSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001077525443 816586239 /nfs/dbraw/zinc/58/62/39/816586239.db2.gz WWQKOROJBSZYDM-CHWSQXEVSA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001083722368 816655582 /nfs/dbraw/zinc/65/55/82/816655582.db2.gz RCCJJENKBSTLED-OLZOCXBDSA-N 1 2 276.336 0.811 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001083722368 816655585 /nfs/dbraw/zinc/65/55/85/816655585.db2.gz RCCJJENKBSTLED-OLZOCXBDSA-N 1 2 276.336 0.811 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699519947 816756362 /nfs/dbraw/zinc/75/63/62/816756362.db2.gz RAZQBAFLHIGQOW-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000699519947 816756366 /nfs/dbraw/zinc/75/63/66/816756366.db2.gz RAZQBAFLHIGQOW-CYBMUJFWSA-N 1 2 259.309 0.307 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001038575974 816818643 /nfs/dbraw/zinc/81/86/43/816818643.db2.gz LLPPNQJFYKRMND-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001038575974 816818651 /nfs/dbraw/zinc/81/86/51/816818651.db2.gz LLPPNQJFYKRMND-ZDUSSCGKSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2nccn3cc(C)nc23)C1 ZINC001031222797 816841214 /nfs/dbraw/zinc/84/12/14/816841214.db2.gz SPALXPUQWBYVAZ-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001077547106 817010499 /nfs/dbraw/zinc/01/04/99/817010499.db2.gz CMYMIONCVBRVKM-ZIAGYGMSSA-N 1 2 275.352 0.375 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001077547106 817010505 /nfs/dbraw/zinc/01/05/05/817010505.db2.gz CMYMIONCVBRVKM-ZIAGYGMSSA-N 1 2 275.352 0.375 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001031375356 817010917 /nfs/dbraw/zinc/01/09/17/817010917.db2.gz ZBMNAWMJAKPFRU-UHFFFAOYSA-N 1 2 298.350 0.652 20 30 CCEDLO CC(C)c1noc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123792551 817071119 /nfs/dbraw/zinc/07/11/19/817071119.db2.gz ZDDJKKUQMNTXNQ-UHFFFAOYSA-N 1 2 297.384 0.656 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031820240 817394042 /nfs/dbraw/zinc/39/40/42/817394042.db2.gz LUIKWPNWUBVLBJ-UHFFFAOYSA-N 1 2 268.748 0.834 20 30 CCEDLO N#CCN1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031843713 817412157 /nfs/dbraw/zinc/41/21/57/817412157.db2.gz KXABQPSAKKZGTG-UHFFFAOYSA-N 1 2 269.308 0.519 20 30 CCEDLO N#CCN1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968670 817506453 /nfs/dbraw/zinc/50/64/53/817506453.db2.gz DMCACUMUWWBEMC-LLVKDONJSA-N 1 2 273.340 0.401 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001124901887 817627667 /nfs/dbraw/zinc/62/76/67/817627667.db2.gz FDBVCRBSLHPLMN-SECBINFHSA-N 1 2 277.328 0.703 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccn1 ZINC001032288213 817784617 /nfs/dbraw/zinc/78/46/17/817784617.db2.gz IVKLBAALXSYNFY-IHRRRGAJSA-N 1 2 272.352 0.753 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccn1 ZINC001032288213 817784622 /nfs/dbraw/zinc/78/46/22/817784622.db2.gz IVKLBAALXSYNFY-IHRRRGAJSA-N 1 2 272.352 0.753 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C)CC3)nn2)C1 ZINC001107175630 817800844 /nfs/dbraw/zinc/80/08/44/817800844.db2.gz QSBAEPBZXULOMF-UHFFFAOYSA-N 1 2 275.356 0.737 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127731494 817802297 /nfs/dbraw/zinc/80/22/97/817802297.db2.gz UCMYKJJDPJRHKY-QMMMGPOBSA-N 1 2 270.226 0.242 20 30 CCEDLO COCC#CC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127731494 817802304 /nfs/dbraw/zinc/80/23/04/817802304.db2.gz UCMYKJJDPJRHKY-QMMMGPOBSA-N 1 2 270.226 0.242 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C ZINC001032303378 817819469 /nfs/dbraw/zinc/81/94/69/817819469.db2.gz VXRTYOITWPLZIS-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C ZINC001032303378 817819477 /nfs/dbraw/zinc/81/94/77/817819477.db2.gz VXRTYOITWPLZIS-RYUDHWBXSA-N 1 2 258.325 0.260 20 30 CCEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(C)(=O)=O ZINC001032306013 817824877 /nfs/dbraw/zinc/82/48/77/817824877.db2.gz TXZZDXQMVDITAR-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(C)(=O)=O ZINC001032306013 817824884 /nfs/dbraw/zinc/82/48/84/817824884.db2.gz TXZZDXQMVDITAR-RYUDHWBXSA-N 1 2 286.397 0.282 20 30 CCEDLO N#Cc1cncc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107312727 817829825 /nfs/dbraw/zinc/82/98/25/817829825.db2.gz UVTRSMNWKYBCTE-UPHRSURJSA-N 1 2 297.322 0.398 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107345695 817840153 /nfs/dbraw/zinc/84/01/53/817840153.db2.gz FJUSUQFXVRNUCE-BTDICHCPSA-N 1 2 288.351 0.908 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001077626245 817885579 /nfs/dbraw/zinc/88/55/79/817885579.db2.gz JFDCPBOYDGHVER-JHJVBQTASA-N 1 2 264.369 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001077626245 817885588 /nfs/dbraw/zinc/88/55/88/817885588.db2.gz JFDCPBOYDGHVER-JHJVBQTASA-N 1 2 264.369 0.607 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cccn2)C1 ZINC001107750253 817981573 /nfs/dbraw/zinc/98/15/73/817981573.db2.gz MRIBLKQQSGILIO-OAHLLOKOSA-N 1 2 292.383 0.666 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cccn2)C1 ZINC001107750253 817981576 /nfs/dbraw/zinc/98/15/76/817981576.db2.gz MRIBLKQQSGILIO-OAHLLOKOSA-N 1 2 292.383 0.666 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001107758445 817987152 /nfs/dbraw/zinc/98/71/52/817987152.db2.gz CCYRBYWMZXGXDT-UKRRQHHQSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001107758445 817987155 /nfs/dbraw/zinc/98/71/55/817987155.db2.gz CCYRBYWMZXGXDT-UKRRQHHQSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncnc2C)C1 ZINC001107770916 817996889 /nfs/dbraw/zinc/99/68/89/817996889.db2.gz WQBKMNNRFMQFMF-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncnc2C)C1 ZINC001107770916 817996894 /nfs/dbraw/zinc/99/68/94/817996894.db2.gz WQBKMNNRFMQFMF-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107797896 818013580 /nfs/dbraw/zinc/01/35/80/818013580.db2.gz ILGMOIZWHBTAKE-OCCSQVGLSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OC)C1 ZINC001107797896 818013586 /nfs/dbraw/zinc/01/35/86/818013586.db2.gz ILGMOIZWHBTAKE-OCCSQVGLSA-N 1 2 270.373 0.805 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804805 818024482 /nfs/dbraw/zinc/02/44/82/818024482.db2.gz QELVYMHUFUMREW-MRXNPFEDSA-N 1 2 292.379 0.911 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804805 818024489 /nfs/dbraw/zinc/02/44/89/818024489.db2.gz QELVYMHUFUMREW-MRXNPFEDSA-N 1 2 292.379 0.911 20 30 CCEDLO C=CCOCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107812986 818028474 /nfs/dbraw/zinc/02/84/74/818028474.db2.gz KRTHUGODZNEPLC-OAHLLOKOSA-N 1 2 280.368 0.419 20 30 CCEDLO C=CCOCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107812986 818028488 /nfs/dbraw/zinc/02/84/88/818028488.db2.gz KRTHUGODZNEPLC-OAHLLOKOSA-N 1 2 280.368 0.419 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001032818432 818062296 /nfs/dbraw/zinc/06/22/96/818062296.db2.gz VNIKQYVQDLCHDG-STQMWFEESA-N 1 2 272.352 0.514 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001032818432 818062303 /nfs/dbraw/zinc/06/23/03/818062303.db2.gz VNIKQYVQDLCHDG-STQMWFEESA-N 1 2 272.352 0.514 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001050840828 818173102 /nfs/dbraw/zinc/17/31/02/818173102.db2.gz RTBQCXHCPHRGKP-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001050840828 818173106 /nfs/dbraw/zinc/17/31/06/818173106.db2.gz RTBQCXHCPHRGKP-STQMWFEESA-N 1 2 268.357 0.416 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006352 818262355 /nfs/dbraw/zinc/26/23/55/818262355.db2.gz KTFZTYZDGKYBKL-WCQYABFASA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090006352 818262366 /nfs/dbraw/zinc/26/23/66/818262366.db2.gz KTFZTYZDGKYBKL-WCQYABFASA-N 1 2 295.770 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090036522 818316818 /nfs/dbraw/zinc/31/68/18/818316818.db2.gz FYVRFLYLBOTIFU-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090036522 818316826 /nfs/dbraw/zinc/31/68/26/818316826.db2.gz FYVRFLYLBOTIFU-ZYHUDNBSSA-N 1 2 296.758 0.394 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070339 818521786 /nfs/dbraw/zinc/52/17/86/818521786.db2.gz RAQSFCPABPAFRN-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(COC)CC2)C1 ZINC001108070339 818521789 /nfs/dbraw/zinc/52/17/89/818521789.db2.gz RAQSFCPABPAFRN-CQSZACIVSA-N 1 2 282.384 0.806 20 30 CCEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(CC#N)C1 ZINC001033206845 818649537 /nfs/dbraw/zinc/64/95/37/818649537.db2.gz LDSHHPAZMXXCPL-CHWSQXEVSA-N 1 2 287.367 0.502 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751452 818668715 /nfs/dbraw/zinc/66/87/15/818668715.db2.gz TXPKFEXAVRIPEN-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090128535 818681423 /nfs/dbraw/zinc/68/14/23/818681423.db2.gz FQIWRVXHNNNQMU-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090128535 818681427 /nfs/dbraw/zinc/68/14/27/818681427.db2.gz FQIWRVXHNNNQMU-CMPLNLGQSA-N 1 2 298.774 0.338 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001033483629 818795395 /nfs/dbraw/zinc/79/53/95/818795395.db2.gz LBWUJKVTLRRAMG-LBPRGKRZSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033483629 818795404 /nfs/dbraw/zinc/79/54/04/818795404.db2.gz LBWUJKVTLRRAMG-LBPRGKRZSA-N 1 2 295.362 0.970 20 30 CCEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034379046 819186940 /nfs/dbraw/zinc/18/69/40/819186940.db2.gz AHYHBMMMYLUWDN-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034379046 819186941 /nfs/dbraw/zinc/18/69/41/819186941.db2.gz AHYHBMMMYLUWDN-GFCCVEGCSA-N 1 2 290.367 0.733 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCCN(CC#N)C1 ZINC001034503317 819222850 /nfs/dbraw/zinc/22/28/50/819222850.db2.gz NUTMXVQUGYLWDP-GFCCVEGCSA-N 1 2 275.356 0.755 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108143945 819297378 /nfs/dbraw/zinc/29/73/78/819297378.db2.gz IBMYNPFCPMEABR-NHIYQJMISA-N 1 2 292.379 0.109 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001108143945 819297382 /nfs/dbraw/zinc/29/73/82/819297382.db2.gz IBMYNPFCPMEABR-NHIYQJMISA-N 1 2 292.379 0.109 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ccc(OCC#N)cn2)C1 ZINC001162683133 819391458 /nfs/dbraw/zinc/39/14/58/819391458.db2.gz ACGSGALBONZTLM-GFCCVEGCSA-N 1 2 262.313 0.726 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ccc(OCC#N)cn2)C1 ZINC001162683133 819391465 /nfs/dbraw/zinc/39/14/65/819391465.db2.gz ACGSGALBONZTLM-GFCCVEGCSA-N 1 2 262.313 0.726 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001035304245 819455153 /nfs/dbraw/zinc/45/51/53/819455153.db2.gz WDIRKHBTKWHSCX-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001035304245 819455158 /nfs/dbraw/zinc/45/51/58/819455158.db2.gz WDIRKHBTKWHSCX-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035312432 819462727 /nfs/dbraw/zinc/46/27/27/819462727.db2.gz JEPMTLHDJOLMIR-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001035312432 819462729 /nfs/dbraw/zinc/46/27/29/819462729.db2.gz JEPMTLHDJOLMIR-ZIAGYGMSSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035312431 819463619 /nfs/dbraw/zinc/46/36/19/819463619.db2.gz JEPMTLHDJOLMIR-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001035312431 819463622 /nfs/dbraw/zinc/46/36/22/819463622.db2.gz JEPMTLHDJOLMIR-UONOGXRCSA-N 1 2 282.384 0.806 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035335541 819477085 /nfs/dbraw/zinc/47/70/85/819477085.db2.gz AVQYIVIFIHOAIL-CYBMUJFWSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001035335541 819477088 /nfs/dbraw/zinc/47/70/88/819477088.db2.gz AVQYIVIFIHOAIL-CYBMUJFWSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035366841 819489327 /nfs/dbraw/zinc/48/93/27/819489327.db2.gz HRVOQVBBFIWXKR-NXEZZACHSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035366841 819489331 /nfs/dbraw/zinc/48/93/31/819489331.db2.gz HRVOQVBBFIWXKR-NXEZZACHSA-N 1 2 260.284 0.645 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035480110 819532670 /nfs/dbraw/zinc/53/26/70/819532670.db2.gz TVSKFYWABGFQSN-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001035480110 819532674 /nfs/dbraw/zinc/53/26/74/819532674.db2.gz TVSKFYWABGFQSN-LBPRGKRZSA-N 1 2 278.356 0.345 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533720 819559550 /nfs/dbraw/zinc/55/95/50/819559550.db2.gz PVXRSLQYOXNGJC-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001035533720 819559556 /nfs/dbraw/zinc/55/95/56/819559556.db2.gz PVXRSLQYOXNGJC-CYBMUJFWSA-N 1 2 290.367 0.357 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035605972 819574376 /nfs/dbraw/zinc/57/43/76/819574376.db2.gz KWUJFAOUMUECML-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001035605972 819574380 /nfs/dbraw/zinc/57/43/80/819574380.db2.gz KWUJFAOUMUECML-NSHDSACASA-N 1 2 264.329 0.037 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#C)cn2)C1 ZINC001035581619 819575611 /nfs/dbraw/zinc/57/56/11/819575611.db2.gz FRNSFGGYRCGZAH-HNNXBMFYSA-N 1 2 297.358 0.517 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#C)cn2)C1 ZINC001035581619 819575614 /nfs/dbraw/zinc/57/56/14/819575614.db2.gz FRNSFGGYRCGZAH-HNNXBMFYSA-N 1 2 297.358 0.517 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001035589486 819579199 /nfs/dbraw/zinc/57/91/99/819579199.db2.gz QMPKJMNKBIHDRX-KGLIPLIRSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001035589486 819579205 /nfs/dbraw/zinc/57/92/05/819579205.db2.gz QMPKJMNKBIHDRX-KGLIPLIRSA-N 1 2 295.383 0.000 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1[nH]nnc1C)CC2 ZINC001035762725 819619175 /nfs/dbraw/zinc/61/91/75/819619175.db2.gz ULDOZHUMAQFYAY-UHFFFAOYSA-N 1 2 273.340 0.284 20 30 CCEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)C1 ZINC001035791608 819625633 /nfs/dbraw/zinc/62/56/33/819625633.db2.gz LKSXEGAWTNXHIF-UHFFFAOYSA-N 1 2 291.395 0.752 20 30 CCEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001036314923 819724649 /nfs/dbraw/zinc/72/46/49/819724649.db2.gz PCLYSGIKIMIKOI-NEPJUHHUSA-N 1 2 261.329 0.233 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](O)C1 ZINC001083909753 820218467 /nfs/dbraw/zinc/21/84/67/820218467.db2.gz DMDPBFLZJFAORU-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](O)C1 ZINC001083909753 820218477 /nfs/dbraw/zinc/21/84/77/820218477.db2.gz DMDPBFLZJFAORU-NEPJUHHUSA-N 1 2 277.324 0.513 20 30 CCEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000712271839 820294826 /nfs/dbraw/zinc/29/48/26/820294826.db2.gz NCWPSUPJGJZHIK-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000712271839 820294833 /nfs/dbraw/zinc/29/48/33/820294833.db2.gz NCWPSUPJGJZHIK-NSHDSACASA-N 1 2 265.338 0.541 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001079382457 820370921 /nfs/dbraw/zinc/37/09/21/820370921.db2.gz GSXVXSNPTGUMIE-LDYMZIIASA-N 1 2 296.758 0.985 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001079382457 820370931 /nfs/dbraw/zinc/37/09/31/820370931.db2.gz GSXVXSNPTGUMIE-LDYMZIIASA-N 1 2 296.758 0.985 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC001079609682 820433102 /nfs/dbraw/zinc/43/31/02/820433102.db2.gz RPFGOXCEDWOROA-GHMZBOCLSA-N 1 2 259.309 0.471 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC001079609682 820433106 /nfs/dbraw/zinc/43/31/06/820433106.db2.gz RPFGOXCEDWOROA-GHMZBOCLSA-N 1 2 259.309 0.471 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001079797003 820472213 /nfs/dbraw/zinc/47/22/13/820472213.db2.gz VTGGSETUDFHHHW-ADEWGFFLSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001079797003 820472218 /nfs/dbraw/zinc/47/22/18/820472218.db2.gz VTGGSETUDFHHHW-ADEWGFFLSA-N 1 2 299.802 0.654 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001081271865 820714799 /nfs/dbraw/zinc/71/47/99/820714799.db2.gz ARJVNDRAXRLLCD-GHMZBOCLSA-N 1 2 256.321 0.573 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001081271865 820714801 /nfs/dbraw/zinc/71/48/01/820714801.db2.gz ARJVNDRAXRLLCD-GHMZBOCLSA-N 1 2 256.321 0.573 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001081495489 820778032 /nfs/dbraw/zinc/77/80/32/820778032.db2.gz MQFLUHIKNCUKRS-CHWSQXEVSA-N 1 2 273.336 0.452 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001081495489 820778035 /nfs/dbraw/zinc/77/80/35/820778035.db2.gz MQFLUHIKNCUKRS-CHWSQXEVSA-N 1 2 273.336 0.452 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099725824 820782706 /nfs/dbraw/zinc/78/27/06/820782706.db2.gz ZJESGFIKAVRLRS-VXGBXAGGSA-N 1 2 290.791 0.715 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)[C@H](O)C1 ZINC001099725824 820782716 /nfs/dbraw/zinc/78/27/16/820782716.db2.gz ZJESGFIKAVRLRS-VXGBXAGGSA-N 1 2 290.791 0.715 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001081581672 820793009 /nfs/dbraw/zinc/79/30/09/820793009.db2.gz PXDNRAPNFXRHBC-CHWSQXEVSA-N 1 2 275.352 0.396 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001081581672 820793011 /nfs/dbraw/zinc/79/30/11/820793011.db2.gz PXDNRAPNFXRHBC-CHWSQXEVSA-N 1 2 275.352 0.396 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@H](OC)C1 ZINC001081799436 820840265 /nfs/dbraw/zinc/84/02/65/820840265.db2.gz PLFMLRMJWUKIDX-UKRRQHHQSA-N 1 2 287.363 0.736 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@H](OC)C1 ZINC001081799436 820840274 /nfs/dbraw/zinc/84/02/74/820840274.db2.gz PLFMLRMJWUKIDX-UKRRQHHQSA-N 1 2 287.363 0.736 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@H](OC)C1 ZINC001081952147 820863202 /nfs/dbraw/zinc/86/32/02/820863202.db2.gz WKFYEPBZCKEOHS-ZYHUDNBSSA-N 1 2 295.339 0.688 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@H](OC)C1 ZINC001081952147 820863204 /nfs/dbraw/zinc/86/32/04/820863204.db2.gz WKFYEPBZCKEOHS-ZYHUDNBSSA-N 1 2 295.339 0.688 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](OC)C1 ZINC001081957304 820870091 /nfs/dbraw/zinc/87/00/91/820870091.db2.gz IYOPPUVRLHXIBR-VXGBXAGGSA-N 1 2 265.288 0.216 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](OC)C1 ZINC001081957304 820870096 /nfs/dbraw/zinc/87/00/96/820870096.db2.gz IYOPPUVRLHXIBR-VXGBXAGGSA-N 1 2 265.288 0.216 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001082102780 820902895 /nfs/dbraw/zinc/90/28/95/820902895.db2.gz BIBLBZKVQDPRIU-CHWSQXEVSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001082102780 820902899 /nfs/dbraw/zinc/90/28/99/820902899.db2.gz BIBLBZKVQDPRIU-CHWSQXEVSA-N 1 2 262.353 0.791 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@H](OC)C1 ZINC001082129257 820907440 /nfs/dbraw/zinc/90/74/40/820907440.db2.gz IWJDUXXKYGGCLA-VXGBXAGGSA-N 1 2 289.335 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@H](OC)C1 ZINC001082129257 820907451 /nfs/dbraw/zinc/90/74/51/820907451.db2.gz IWJDUXXKYGGCLA-VXGBXAGGSA-N 1 2 289.335 0.614 20 30 CCEDLO CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082970632 821076050 /nfs/dbraw/zinc/07/60/50/821076050.db2.gz WWDOAUXJFXZSEC-DLBZAZTESA-N 1 2 284.359 0.970 20 30 CCEDLO CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082970632 821076059 /nfs/dbraw/zinc/07/60/59/821076059.db2.gz WWDOAUXJFXZSEC-DLBZAZTESA-N 1 2 284.359 0.970 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001083009922 821104810 /nfs/dbraw/zinc/10/48/10/821104810.db2.gz ODLGEPRLKXOMHK-NWDGAFQWSA-N 1 2 262.313 0.121 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001083009922 821104814 /nfs/dbraw/zinc/10/48/14/821104814.db2.gz ODLGEPRLKXOMHK-NWDGAFQWSA-N 1 2 262.313 0.121 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001083009922 821104820 /nfs/dbraw/zinc/10/48/20/821104820.db2.gz ODLGEPRLKXOMHK-NWDGAFQWSA-N 1 2 262.313 0.121 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001083009922 821104825 /nfs/dbraw/zinc/10/48/25/821104825.db2.gz ODLGEPRLKXOMHK-NWDGAFQWSA-N 1 2 262.313 0.121 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001083032398 821108213 /nfs/dbraw/zinc/10/82/13/821108213.db2.gz VDHHSTPHYISLQV-QWHCGFSZSA-N 1 2 276.340 0.050 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001083032398 821108218 /nfs/dbraw/zinc/10/82/18/821108218.db2.gz VDHHSTPHYISLQV-QWHCGFSZSA-N 1 2 276.340 0.050 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C(F)=C(C)C)[C@H]2C1 ZINC001083047747 821125682 /nfs/dbraw/zinc/12/56/82/821125682.db2.gz SMQPZLLDGRLKSE-NWDGAFQWSA-N 1 2 266.316 0.795 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)=C(C)C)[C@H]2C1 ZINC001083047747 821125687 /nfs/dbraw/zinc/12/56/87/821125687.db2.gz SMQPZLLDGRLKSE-NWDGAFQWSA-N 1 2 266.316 0.795 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001083067756 821133622 /nfs/dbraw/zinc/13/36/22/821133622.db2.gz CADPSYZODMUALU-QWHCGFSZSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001083067756 821133625 /nfs/dbraw/zinc/13/36/25/821133625.db2.gz CADPSYZODMUALU-QWHCGFSZSA-N 1 2 273.336 0.482 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC3(C)C)[C@H]2C1 ZINC001083169404 821153458 /nfs/dbraw/zinc/15/34/58/821153458.db2.gz QHDHDAWIBRDTDD-MELADBBJSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC3(C)C)[C@H]2C1 ZINC001083169404 821153464 /nfs/dbraw/zinc/15/34/64/821153464.db2.gz QHDHDAWIBRDTDD-MELADBBJSA-N 1 2 276.380 0.967 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001084015522 821182230 /nfs/dbraw/zinc/18/22/30/821182230.db2.gz BBHZJMXDKOQVMZ-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001084015522 821182238 /nfs/dbraw/zinc/18/22/38/821182238.db2.gz BBHZJMXDKOQVMZ-KGLIPLIRSA-N 1 2 294.301 0.763 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](O)C1 ZINC001084048079 821187813 /nfs/dbraw/zinc/18/78/13/821187813.db2.gz GPHRYIGUPPAAMP-NEPJUHHUSA-N 1 2 279.340 0.506 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](O)C1 ZINC001084048079 821187816 /nfs/dbraw/zinc/18/78/16/821187816.db2.gz GPHRYIGUPPAAMP-NEPJUHHUSA-N 1 2 279.340 0.506 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001084044866 821187989 /nfs/dbraw/zinc/18/79/89/821187989.db2.gz XIXVGDBFZONFMC-CVEARBPZSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001084044866 821187992 /nfs/dbraw/zinc/18/79/92/821187992.db2.gz XIXVGDBFZONFMC-CVEARBPZSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2nccnc2N)C1=O ZINC001273275697 821545411 /nfs/dbraw/zinc/54/54/11/821545411.db2.gz UGHIMJDBEWPZJT-OAHLLOKOSA-N 1 2 285.351 0.259 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2nccnc2N)C1=O ZINC001273275697 821545418 /nfs/dbraw/zinc/54/54/18/821545418.db2.gz UGHIMJDBEWPZJT-OAHLLOKOSA-N 1 2 285.351 0.259 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001085534491 821774800 /nfs/dbraw/zinc/77/48/00/821774800.db2.gz MEMVLDLNOVOCGJ-LBPRGKRZSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001085534491 821774809 /nfs/dbraw/zinc/77/48/09/821774809.db2.gz MEMVLDLNOVOCGJ-LBPRGKRZSA-N 1 2 256.309 0.666 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085546465 821779430 /nfs/dbraw/zinc/77/94/30/821779430.db2.gz ZFORNZMTKWDHQI-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085546465 821779436 /nfs/dbraw/zinc/77/94/36/821779436.db2.gz ZFORNZMTKWDHQI-OLZOCXBDSA-N 1 2 250.342 0.721 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC001085560727 821789701 /nfs/dbraw/zinc/78/97/01/821789701.db2.gz UJRXYBGAQGQKTM-ZDUSSCGKSA-N 1 2 258.325 0.646 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC001085560727 821789705 /nfs/dbraw/zinc/78/97/05/821789705.db2.gz UJRXYBGAQGQKTM-ZDUSSCGKSA-N 1 2 258.325 0.646 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643145 821868128 /nfs/dbraw/zinc/86/81/28/821868128.db2.gz GKBKSLLYKAJXQN-LLVKDONJSA-N 1 2 274.324 0.055 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001085643145 821868136 /nfs/dbraw/zinc/86/81/36/821868136.db2.gz GKBKSLLYKAJXQN-LLVKDONJSA-N 1 2 274.324 0.055 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085680880 821892900 /nfs/dbraw/zinc/89/29/00/821892900.db2.gz ONEJJFVEFDMIAR-JSGCOSHPSA-N 1 2 287.367 0.502 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085758007 821938019 /nfs/dbraw/zinc/93/80/19/821938019.db2.gz XANAQKIHRVNFEV-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1C ZINC001085758007 821938023 /nfs/dbraw/zinc/93/80/23/821938023.db2.gz XANAQKIHRVNFEV-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796782 821956826 /nfs/dbraw/zinc/95/68/26/821956826.db2.gz ZOCNFQANAVRRBN-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796782 821956832 /nfs/dbraw/zinc/95/68/32/821956832.db2.gz ZOCNFQANAVRRBN-GFCCVEGCSA-N 1 2 273.336 0.870 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(CC)c1CC ZINC001085815892 821964999 /nfs/dbraw/zinc/96/49/99/821964999.db2.gz HGCOCWYSWMQDEY-GFCCVEGCSA-N 1 2 289.383 0.640 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nnn(CC)c1CC ZINC001085815892 821965004 /nfs/dbraw/zinc/96/50/04/821965004.db2.gz HGCOCWYSWMQDEY-GFCCVEGCSA-N 1 2 289.383 0.640 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001085824073 821971205 /nfs/dbraw/zinc/97/12/05/821971205.db2.gz ZJCGMSKOPCQKNS-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001085824073 821971215 /nfs/dbraw/zinc/97/12/15/821971215.db2.gz ZJCGMSKOPCQKNS-LBPRGKRZSA-N 1 2 260.341 0.806 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1COC ZINC001085920413 822015525 /nfs/dbraw/zinc/01/55/25/822015525.db2.gz ANSUJYXBMHSLFY-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1COC ZINC001085920413 822015535 /nfs/dbraw/zinc/01/55/35/822015535.db2.gz ANSUJYXBMHSLFY-GFCCVEGCSA-N 1 2 291.351 0.991 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001085970874 822043797 /nfs/dbraw/zinc/04/37/97/822043797.db2.gz MROPMBQZTKBPNI-CYBMUJFWSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001085970874 822043805 /nfs/dbraw/zinc/04/38/05/822043805.db2.gz MROPMBQZTKBPNI-CYBMUJFWSA-N 1 2 286.379 0.927 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982591 822054278 /nfs/dbraw/zinc/05/42/78/822054278.db2.gz ODFAOZUSJPCUQV-KBPBESRZSA-N 1 2 281.400 0.426 20 30 CCEDLO C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982591 822054286 /nfs/dbraw/zinc/05/42/86/822054286.db2.gz ODFAOZUSJPCUQV-KBPBESRZSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)CN1CC2(C[NH+](C[C@@H](C)C(=O)OC)C2)OCC1=O ZINC001273416099 822178192 /nfs/dbraw/zinc/17/81/92/822178192.db2.gz WZUZIQPVCSRMQN-GFCCVEGCSA-N 1 2 296.367 0.285 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(C)ccc1C#N ZINC001157771133 837413981 /nfs/dbraw/zinc/41/39/81/837413981.db2.gz YNOVPZDFXBVFQK-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(C)ccc1C#N ZINC001157771133 837413988 /nfs/dbraw/zinc/41/39/88/837413988.db2.gz YNOVPZDFXBVFQK-LBPRGKRZSA-N 1 2 274.324 0.555 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090474419 837417434 /nfs/dbraw/zinc/41/74/34/837417434.db2.gz CRHASHUNHOWLLH-RYUDHWBXSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 ZINC001090474419 837417436 /nfs/dbraw/zinc/41/74/36/837417436.db2.gz CRHASHUNHOWLLH-RYUDHWBXSA-N 1 2 298.774 0.636 20 30 CCEDLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)C ZINC001114237135 837481993 /nfs/dbraw/zinc/48/19/93/837481993.db2.gz GZHHXGRTSGLGNO-JYAVWHMHSA-N 1 2 288.351 0.584 20 30 CCEDLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)C ZINC001114237135 837481996 /nfs/dbraw/zinc/48/19/96/837481996.db2.gz GZHHXGRTSGLGNO-JYAVWHMHSA-N 1 2 288.351 0.584 20 30 CCEDLO CC(C)c1ccc(C#N)c(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001157933272 837724150 /nfs/dbraw/zinc/72/41/50/837724150.db2.gz QQBCXWZOJIGCKW-UHFFFAOYSA-N 1 2 258.285 0.822 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935500 844114422 /nfs/dbraw/zinc/11/44/22/844114422.db2.gz JTIJXIRNCKQSCF-JTQLQIEISA-N 1 2 276.296 0.168 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C)n2)C1 ZINC001108402355 836015424 /nfs/dbraw/zinc/01/54/24/836015424.db2.gz BTWJTZRBFUUHQW-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C)n2)C1 ZINC001108402355 836015435 /nfs/dbraw/zinc/01/54/35/836015435.db2.gz BTWJTZRBFUUHQW-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C[C@@H](CNc1cncc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001108431246 836079818 /nfs/dbraw/zinc/07/98/18/836079818.db2.gz YYGYAKQRJYQFRO-JTQLQIEISA-N 1 2 285.311 0.162 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975187 836091833 /nfs/dbraw/zinc/09/18/33/836091833.db2.gz UMPRXYHRPIGDBI-CIUDSAMLSA-N 1 2 262.331 0.493 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nnc(Cl)cc2C#N)C[NH2+]1 ZINC001156243468 836108870 /nfs/dbraw/zinc/10/88/70/836108870.db2.gz VTRIUXXCWMPFSB-YUMQZZPRSA-N 1 2 281.703 0.317 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C#N)c(OC)n2)C[NH2+]1 ZINC001169130030 836145361 /nfs/dbraw/zinc/14/53/61/836145361.db2.gz RBFQVMDAMRXZTM-ZJUUUORDSA-N 1 2 276.296 0.277 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156320299 836279975 /nfs/dbraw/zinc/27/99/75/836279975.db2.gz WKEVINXWUCUUIT-QMMMGPOBSA-N 1 2 272.268 0.773 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1ncnc2cc3c(cc21)OCCO3 ZINC001156321122 836284157 /nfs/dbraw/zinc/28/41/57/836284157.db2.gz QADDBQIOFHZBLL-JTQLQIEISA-N 1 2 297.318 0.703 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C/C)CC2=O)C1 ZINC001108529716 836426977 /nfs/dbraw/zinc/42/69/77/836426977.db2.gz MVWMTVXVYWKUFF-YQJFHSMKSA-N 1 2 291.395 0.930 20 30 CCEDLO C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001109014293 836599084 /nfs/dbraw/zinc/59/90/84/836599084.db2.gz HPWMBATWXCGJRU-LBPRGKRZSA-N 1 2 298.350 0.791 20 30 CCEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259775 836649455 /nfs/dbraw/zinc/64/94/55/836649455.db2.gz RLYRREGXVIZIHM-AGIUHOORSA-N 1 2 291.395 0.503 20 30 CCEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259775 836649457 /nfs/dbraw/zinc/64/94/57/836649457.db2.gz RLYRREGXVIZIHM-AGIUHOORSA-N 1 2 291.395 0.503 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001112629905 836831305 /nfs/dbraw/zinc/83/13/05/836831305.db2.gz GDMYXFDFZPUQBV-ZDUSSCGKSA-N 1 2 297.424 0.956 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC001112649841 836845963 /nfs/dbraw/zinc/84/59/63/836845963.db2.gz VNSCPJPCOOAKIJ-UHFFFAOYSA-N 1 2 265.313 0.635 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001112920054 836968568 /nfs/dbraw/zinc/96/85/68/836968568.db2.gz XECJILAMVSCSGS-CHWSQXEVSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(CC(C)C)CCNC2=O)CC1 ZINC001112984666 836985781 /nfs/dbraw/zinc/98/57/81/836985781.db2.gz VWGRNCHYTSPRAU-MRXNPFEDSA-N 1 2 293.411 0.869 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110088260 837002163 /nfs/dbraw/zinc/00/21/63/837002163.db2.gz UFTLVNUNRUILCO-SECBINFHSA-N 1 2 299.338 0.584 20 30 CCEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccnc(C#N)n1 ZINC001113313351 837084917 /nfs/dbraw/zinc/08/49/17/837084917.db2.gz HFTXAPRFENDXFV-UWVGGRQHSA-N 1 2 299.338 0.041 20 30 CCEDLO C[C@@H](Nc1ccncc1C#N)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113315167 837087781 /nfs/dbraw/zinc/08/77/81/837087781.db2.gz YGLLKMCWOVPWJB-MNOVXSKESA-N 1 2 298.350 0.646 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)NC(=O)NCC)CC1 ZINC001113400280 837110608 /nfs/dbraw/zinc/11/06/08/837110608.db2.gz JPQLRBRDPKSJSD-UHFFFAOYSA-N 1 2 296.415 0.804 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC001113523196 837146675 /nfs/dbraw/zinc/14/66/75/837146675.db2.gz ZRSGAXCCONWUAF-UHFFFAOYSA-N 1 2 265.357 0.185 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccnc(C#N)n1 ZINC001113645139 837186246 /nfs/dbraw/zinc/18/62/46/837186246.db2.gz TUIVVEINXXQNCS-LLVKDONJSA-N 1 2 299.338 0.186 20 30 CCEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113712501 837202660 /nfs/dbraw/zinc/20/26/60/837202660.db2.gz AQHXSTNANSUYAR-CYBMUJFWSA-N 1 2 293.371 0.013 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC001113718458 837203774 /nfs/dbraw/zinc/20/37/74/837203774.db2.gz GQYVFYATUQOSMJ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCOCC(=O)N1CCC(=O)NCC[N@@H+](CC=C)CC1 ZINC001131342024 838056674 /nfs/dbraw/zinc/05/66/74/838056674.db2.gz JQCCVFYOFBVGTE-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO C=CCOCC(=O)N1CCC(=O)NCC[N@H+](CC=C)CC1 ZINC001131342024 838056685 /nfs/dbraw/zinc/05/66/85/838056685.db2.gz JQCCVFYOFBVGTE-UHFFFAOYSA-N 1 2 295.383 0.026 20 30 CCEDLO N#CCNCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976013 838279528 /nfs/dbraw/zinc/27/95/28/838279528.db2.gz GXLDJBPPKHAIOR-UHFFFAOYSA-N 1 2 269.308 0.715 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2(C)CC2)CC[C@@H]1C ZINC001132053719 838308278 /nfs/dbraw/zinc/30/82/78/838308278.db2.gz DIHZMMUVDYBPNR-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(C)CC2)CC[C@@H]1C ZINC001132053719 838308283 /nfs/dbraw/zinc/30/82/83/838308283.db2.gz DIHZMMUVDYBPNR-QWHCGFSZSA-N 1 2 291.395 0.505 20 30 CCEDLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CN1CC#N ZINC001132458894 838410614 /nfs/dbraw/zinc/41/06/14/838410614.db2.gz YTUYSDMGYZASCZ-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO N#Cc1ccc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)nc1 ZINC001110356971 844340336 /nfs/dbraw/zinc/34/03/36/844340336.db2.gz ZYXFVNKGJDKVFA-UHFFFAOYSA-N 1 2 296.334 0.980 20 30 CCEDLO C=C(Cl)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847504 839852158 /nfs/dbraw/zinc/85/21/58/839852158.db2.gz WXXLPCXCGBFPFJ-RYUDHWBXSA-N 1 2 298.774 0.187 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090850795 839853165 /nfs/dbraw/zinc/85/31/65/839853165.db2.gz WEDQLSFPGFUHHE-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001090850795 839853168 /nfs/dbraw/zinc/85/31/68/839853168.db2.gz WEDQLSFPGFUHHE-QWRGUYRKSA-N 1 2 298.774 0.636 20 30 CCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CCS ZINC001143990479 839912168 /nfs/dbraw/zinc/91/21/68/839912168.db2.gz RNRBBAXPERQDOD-JTQLQIEISA-N 1 2 285.369 0.330 20 30 CCEDLO Cc1[nH]c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC001186032774 844485393 /nfs/dbraw/zinc/48/53/93/844485393.db2.gz APEYLSDCVOREQY-JTQLQIEISA-N 1 2 262.313 0.508 20 30 CCEDLO Cc1[nH]c(NC(=O)C[N@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC001186032774 844485397 /nfs/dbraw/zinc/48/53/97/844485397.db2.gz APEYLSDCVOREQY-JTQLQIEISA-N 1 2 262.313 0.508 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)cn1 ZINC001148389707 840790717 /nfs/dbraw/zinc/79/07/17/840790717.db2.gz RKNAMNJTRTYHTQ-SNVBAGLBSA-N 1 2 299.334 0.835 20 30 CCEDLO C[C@H](CC(=O)NCCNc1ccncc1C#N)n1cc[nH+]c1 ZINC001094167430 841552216 /nfs/dbraw/zinc/55/22/16/841552216.db2.gz AXZBEGSGISVDOY-GFCCVEGCSA-N 1 2 298.350 0.751 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1nccnc1C#N ZINC001094188573 841561216 /nfs/dbraw/zinc/56/12/16/841561216.db2.gz CNKBLHGYIGYHBZ-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1nccnc1C#N ZINC001094188573 841561222 /nfs/dbraw/zinc/56/12/22/841561222.db2.gz CNKBLHGYIGYHBZ-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC001094273438 841578933 /nfs/dbraw/zinc/57/89/33/841578933.db2.gz QMLAQNFHCULTHY-CYBMUJFWSA-N 1 2 291.355 0.116 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC3(F)F)nn2)C1 ZINC001094289551 841599733 /nfs/dbraw/zinc/59/97/33/841599733.db2.gz OOLKGGGEEWWRCF-LLVKDONJSA-N 1 2 297.309 0.592 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3CC(C)C3)CC2=O)C1 ZINC001094721278 841701154 /nfs/dbraw/zinc/70/11/54/841701154.db2.gz YOPWKYOFQYSMLP-WXRRBKDZSA-N 1 2 291.395 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)F)CC2=O)C1 ZINC001094695714 841706721 /nfs/dbraw/zinc/70/67/21/841706721.db2.gz WZLKAGQVWDCWRR-NSHDSACASA-N 1 2 297.374 0.712 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)C)CC2=O)C1 ZINC001094704440 841711882 /nfs/dbraw/zinc/71/18/82/841711882.db2.gz VHRHZRORGYLMMQ-NSHDSACASA-N 1 2 265.357 0.230 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094856033 841779301 /nfs/dbraw/zinc/77/93/01/841779301.db2.gz LKBFIMYLWYMICE-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094856033 841779308 /nfs/dbraw/zinc/77/93/08/841779308.db2.gz LKBFIMYLWYMICE-UHFFFAOYSA-N 1 2 299.338 0.622 20 30 CCEDLO N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094909732 841927051 /nfs/dbraw/zinc/92/70/51/841927051.db2.gz NICVLSNBPHBKMV-AVGNSLFASA-N 1 2 287.367 0.835 20 30 CCEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173734365 842134845 /nfs/dbraw/zinc/13/48/45/842134845.db2.gz MZNZJVZEEORVRO-GUBZILKMSA-N 1 2 285.373 0.218 20 30 CCEDLO N#CCNCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176871306 842433518 /nfs/dbraw/zinc/43/35/18/842433518.db2.gz UADUBLNBNCPSJT-UHFFFAOYSA-N 1 2 292.408 0.726 20 30 CCEDLO N#CCNCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176871306 842433524 /nfs/dbraw/zinc/43/35/24/842433524.db2.gz UADUBLNBNCPSJT-UHFFFAOYSA-N 1 2 292.408 0.726 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876486 842435736 /nfs/dbraw/zinc/43/57/36/842435736.db2.gz NVKOERMDIZELMF-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 ZINC001176876486 842435744 /nfs/dbraw/zinc/43/57/44/842435744.db2.gz NVKOERMDIZELMF-ZIAGYGMSSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876485 842435904 /nfs/dbraw/zinc/43/59/04/842435904.db2.gz NVKOERMDIZELMF-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001176876485 842435908 /nfs/dbraw/zinc/43/59/08/842435908.db2.gz NVKOERMDIZELMF-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 ZINC001176994890 842479509 /nfs/dbraw/zinc/47/95/09/842479509.db2.gz QVWLWQZSADGZQD-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 ZINC001176994890 842479512 /nfs/dbraw/zinc/47/95/12/842479512.db2.gz QVWLWQZSADGZQD-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO CN(CC(=O)N1C[C@@H](F)C[C@H]1C#N)c1cccc[nH+]1 ZINC001177412585 842585749 /nfs/dbraw/zinc/58/57/49/842585749.db2.gz SJZCKMSEFLSGAL-QWRGUYRKSA-N 1 2 262.288 0.980 20 30 CCEDLO C=CCSCC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001180561451 843210175 /nfs/dbraw/zinc/21/01/75/843210175.db2.gz LDAJFYXHOBUOFR-LLVKDONJSA-N 1 2 297.380 0.540 20 30 CCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001180756117 843277087 /nfs/dbraw/zinc/27/70/87/843277087.db2.gz VOZZSOGZOACOIJ-GFCCVEGCSA-N 1 2 297.318 0.771 20 30 CCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2nc3ncccc3cc2C#N)C1 ZINC001180756117 843277089 /nfs/dbraw/zinc/27/70/89/843277089.db2.gz VOZZSOGZOACOIJ-GFCCVEGCSA-N 1 2 297.318 0.771 20 30 CCEDLO N#Cc1ccnnc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181239930 843424047 /nfs/dbraw/zinc/42/40/47/843424047.db2.gz HVKIEJZZKCUASR-UHFFFAOYSA-N 1 2 254.253 0.507 20 30 CCEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCC(=O)OCC)C2 ZINC001273470514 843454042 /nfs/dbraw/zinc/45/40/42/843454042.db2.gz YUTKFFQTQGEKJL-UHFFFAOYSA-N 1 2 296.367 0.429 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001181512171 843505711 /nfs/dbraw/zinc/50/57/11/843505711.db2.gz YGPBJSCQJHYDME-LLVKDONJSA-N 1 2 294.355 0.873 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001181643871 843548159 /nfs/dbraw/zinc/54/81/59/843548159.db2.gz CQAVUPOQZGVRJX-SNVBAGLBSA-N 1 2 282.369 0.431 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189372544 845118416 /nfs/dbraw/zinc/11/84/16/845118416.db2.gz YHYLNBJRLCUZGO-ZDUSSCGKSA-N 1 2 279.340 0.910 20 30 CCEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189372544 845118419 /nfs/dbraw/zinc/11/84/19/845118419.db2.gz YHYLNBJRLCUZGO-ZDUSSCGKSA-N 1 2 279.340 0.910 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001190095659 845320450 /nfs/dbraw/zinc/32/04/50/845320450.db2.gz VPPDSFYFVUUCDL-OCCSQVGLSA-N 1 2 291.351 0.746 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190095659 845320459 /nfs/dbraw/zinc/32/04/59/845320459.db2.gz VPPDSFYFVUUCDL-OCCSQVGLSA-N 1 2 291.351 0.746 20 30 CCEDLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191854263 845741397 /nfs/dbraw/zinc/74/13/97/845741397.db2.gz KHVXNVXYXLJBFH-ZWKOPEQDSA-N 1 2 292.339 0.058 20 30 CCEDLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001191854263 845741403 /nfs/dbraw/zinc/74/14/03/845741403.db2.gz KHVXNVXYXLJBFH-ZWKOPEQDSA-N 1 2 292.339 0.058 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001191854415 845742183 /nfs/dbraw/zinc/74/21/83/845742183.db2.gz MJMZSLATBKXHPM-KCPJHIHWSA-N 1 2 298.346 0.379 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001191854415 845742186 /nfs/dbraw/zinc/74/21/86/845742186.db2.gz MJMZSLATBKXHPM-KCPJHIHWSA-N 1 2 298.346 0.379 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001191863084 845743385 /nfs/dbraw/zinc/74/33/85/845743385.db2.gz CCXQJNPLVHILCK-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001191863084 845743393 /nfs/dbraw/zinc/74/33/93/845743393.db2.gz CCXQJNPLVHILCK-LERXQTSPSA-N 1 2 291.326 0.647 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001193021245 845968233 /nfs/dbraw/zinc/96/82/33/845968233.db2.gz GNVXAMZSBZGMHX-VIFPVBQESA-N 1 2 276.300 0.497 20 30 CCEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001193021245 845968237 /nfs/dbraw/zinc/96/82/37/845968237.db2.gz GNVXAMZSBZGMHX-VIFPVBQESA-N 1 2 276.300 0.497 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)NCCOc1cc[nH+]cc1 ZINC001193192910 846013840 /nfs/dbraw/zinc/01/38/40/846013840.db2.gz HEBGQEUKEINVMS-VIFPVBQESA-N 1 2 255.299 0.292 20 30 CCEDLO N#Cc1cccc(C(=O)N(c2ncccn2)C2C[NH2+]C2)c1O ZINC001193646724 846138899 /nfs/dbraw/zinc/13/88/99/846138899.db2.gz NBAZRNKBRUIVRN-UHFFFAOYSA-N 1 2 295.302 0.672 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)SC)CO2 ZINC001273674895 846276516 /nfs/dbraw/zinc/27/65/16/846276516.db2.gz AOKVILYRYYHIOZ-VXGBXAGGSA-N 1 2 282.409 0.721 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195443545 846532609 /nfs/dbraw/zinc/53/26/09/846532609.db2.gz DRXMUMSTDHBFCN-ZDUSSCGKSA-N 1 2 297.399 0.377 20 30 CCEDLO C=CCOCCCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195443545 846532616 /nfs/dbraw/zinc/53/26/16/846532616.db2.gz DRXMUMSTDHBFCN-ZDUSSCGKSA-N 1 2 297.399 0.377 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC001195465729 846544588 /nfs/dbraw/zinc/54/45/88/846544588.db2.gz FNZOSEQEIREAHS-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC001195465729 846544594 /nfs/dbraw/zinc/54/45/94/846544594.db2.gz FNZOSEQEIREAHS-UHFFFAOYSA-N 1 2 291.395 0.933 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(=O)NCC)CC1 ZINC001195588624 846579537 /nfs/dbraw/zinc/57/95/37/846579537.db2.gz PVDTWDVJSCZTJP-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(=O)NCC)CC1 ZINC001195588624 846579542 /nfs/dbraw/zinc/57/95/42/846579542.db2.gz PVDTWDVJSCZTJP-UHFFFAOYSA-N 1 2 287.791 0.799 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2C#N)C1 ZINC001196561337 846775496 /nfs/dbraw/zinc/77/54/96/846775496.db2.gz OWGQSYBJFXOBCZ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ncccc2C#N)C1 ZINC001196561337 846775498 /nfs/dbraw/zinc/77/54/98/846775498.db2.gz OWGQSYBJFXOBCZ-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO Cc1cnc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251007603 846783008 /nfs/dbraw/zinc/78/30/08/846783008.db2.gz XDKQLUQJBVTULA-GFCCVEGCSA-N 1 2 276.340 0.367 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cnco2)CC1 ZINC001196690665 846793177 /nfs/dbraw/zinc/79/31/77/846793177.db2.gz UPJBOHXCIPPNGS-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cnco2)CC1 ZINC001196690665 846793183 /nfs/dbraw/zinc/79/31/83/846793183.db2.gz UPJBOHXCIPPNGS-UHFFFAOYSA-N 1 2 277.324 0.472 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196855260 846810243 /nfs/dbraw/zinc/81/02/43/846810243.db2.gz ZKLLEUFIGJMZPN-STQMWFEESA-N 1 2 281.400 0.725 20 30 CCEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196855260 846810249 /nfs/dbraw/zinc/81/02/49/846810249.db2.gz ZKLLEUFIGJMZPN-STQMWFEESA-N 1 2 281.400 0.725 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(=O)N(C)C)CC1 ZINC001197369707 846900639 /nfs/dbraw/zinc/90/06/39/846900639.db2.gz KETCXVOWFCCKBG-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(=O)N(C)C)CC1 ZINC001197369707 846900642 /nfs/dbraw/zinc/90/06/42/846900642.db2.gz KETCXVOWFCCKBG-UHFFFAOYSA-N 1 2 287.791 0.752 20 30 CCEDLO NC(=O)C[N@@H+]1CCCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001198214245 847066111 /nfs/dbraw/zinc/06/61/11/847066111.db2.gz OBTYDMIYKDOOTR-UHFFFAOYSA-N 1 2 299.374 0.448 20 30 CCEDLO NC(=O)C[N@H+]1CCCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001198214245 847066118 /nfs/dbraw/zinc/06/61/18/847066118.db2.gz OBTYDMIYKDOOTR-UHFFFAOYSA-N 1 2 299.374 0.448 20 30 CCEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001273822309 847606926 /nfs/dbraw/zinc/60/69/26/847606926.db2.gz KUJDMZZCFGHQQF-GFCCVEGCSA-N 1 2 287.367 0.167 20 30 CCEDLO N#Cc1nc(N)c(Nc2ccc(N)[nH+]c2)nc1C#N ZINC001201276272 847759446 /nfs/dbraw/zinc/75/94/46/847759446.db2.gz RQTKCLZWIZOTMI-UHFFFAOYSA-N 1 2 252.241 0.523 20 30 CCEDLO CC(C)[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273915315 847825541 /nfs/dbraw/zinc/82/55/41/847825541.db2.gz NUYAPXCADCZKIH-UHFFFAOYSA-N 1 2 251.330 0.612 20 30 CCEDLO CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031770 848311113 /nfs/dbraw/zinc/31/11/13/848311113.db2.gz ZXUWZNIAYMDUTC-IAQYHMDHSA-N 1 2 291.351 0.719 20 30 CCEDLO CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031770 848311121 /nfs/dbraw/zinc/31/11/21/848311121.db2.gz ZXUWZNIAYMDUTC-IAQYHMDHSA-N 1 2 291.351 0.719 20 30 CCEDLO COCCCN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274040762 848317435 /nfs/dbraw/zinc/31/74/35/848317435.db2.gz UGSYLXXHAIVWHY-UHFFFAOYSA-N 1 2 281.356 0.240 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001274048514 848324749 /nfs/dbraw/zinc/32/47/49/848324749.db2.gz LPQLEEBLUJJYOZ-MPJRPATESA-N 1 2 252.211 0.782 20 30 CCEDLO C#CC[NH2+]C/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001274048514 848324752 /nfs/dbraw/zinc/32/47/52/848324752.db2.gz LPQLEEBLUJJYOZ-MPJRPATESA-N 1 2 252.211 0.782 20 30 CCEDLO C=CCN1C(=O)COCC12CN(Cc1c[nH+]cn1CC)C2 ZINC001274342200 848455637 /nfs/dbraw/zinc/45/56/37/848455637.db2.gz JWAAMVYYEQMLMD-UHFFFAOYSA-N 1 2 290.367 0.502 20 30 CCEDLO C#CCN1CC2(C[NH+](C[C@@H](O)CCCC)C2)OCC1=O ZINC001274570765 848508222 /nfs/dbraw/zinc/50/82/22/848508222.db2.gz DESHREAWCFBHOH-ZDUSSCGKSA-N 1 2 280.368 0.084 20 30 CCEDLO C=C(C)CN1CC2(CN(Cc3c[nH+]c(C)[nH]3)C2)OCC1=O ZINC001274575389 848511057 /nfs/dbraw/zinc/51/10/57/848511057.db2.gz FJCFQWNERCCNKS-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO C=C(C)CN1CC2(CN(Cc3c[nH]c(C)[nH+]3)C2)OCC1=O ZINC001274575389 848511062 /nfs/dbraw/zinc/51/10/62/848511062.db2.gz FJCFQWNERCCNKS-UHFFFAOYSA-N 1 2 290.367 0.707 20 30 CCEDLO COCC[NH+]1CC2(CCN2C(=O)C2(C#N)CCOCC2)C1 ZINC001274980379 848605198 /nfs/dbraw/zinc/60/51/98/848605198.db2.gz KOBWRYUDDZOLGA-UHFFFAOYSA-N 1 2 293.367 0.240 20 30 CCEDLO CN(CC(C)(C)CNCC#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001275717154 848799136 /nfs/dbraw/zinc/79/91/36/848799136.db2.gz FUVQDFQEJKIDFJ-UHFFFAOYSA-N 1 2 263.345 0.550 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC23CC3)C1 ZINC001276088706 848920456 /nfs/dbraw/zinc/92/04/56/848920456.db2.gz RYDRXIVZNCUCAD-GFCCVEGCSA-N 1 2 262.353 0.363 20 30 CCEDLO C=CCC[NH+]1CC(CCO)(NC(=O)c2ncccn2)C1 ZINC001276094598 848926429 /nfs/dbraw/zinc/92/64/29/848926429.db2.gz OZPICFXRTVZAPN-UHFFFAOYSA-N 1 2 276.340 0.219 20 30 CCEDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccncc1C#N ZINC001095582865 848992552 /nfs/dbraw/zinc/99/25/52/848992552.db2.gz OYILSYHMUHYWIW-UHFFFAOYSA-N 1 2 298.350 0.792 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110897570 849016747 /nfs/dbraw/zinc/01/67/47/849016747.db2.gz PHBVHLKBZGOAGJ-UTUOFQBUSA-N 1 2 279.384 0.666 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110897570 849016759 /nfs/dbraw/zinc/01/67/59/849016759.db2.gz PHBVHLKBZGOAGJ-UTUOFQBUSA-N 1 2 279.384 0.666 20 30 CCEDLO N#CC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000932895952 849054927 /nfs/dbraw/zinc/05/49/27/849054927.db2.gz VMFVSTLLIYOWHT-APPZFPTMSA-N 1 2 287.245 0.952 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001095746593 849132949 /nfs/dbraw/zinc/13/29/49/849132949.db2.gz TVQJDIVMMLUJAD-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001038612285 849498036 /nfs/dbraw/zinc/49/80/36/849498036.db2.gz SGLIZRMXFUQPET-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001038612285 849498043 /nfs/dbraw/zinc/49/80/43/849498043.db2.gz SGLIZRMXFUQPET-GFCCVEGCSA-N 1 2 260.341 0.556 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001038027753 849648438 /nfs/dbraw/zinc/64/84/38/849648438.db2.gz NXOOVIFIANEFCY-ZDUSSCGKSA-N 1 2 259.309 0.147 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001038027753 849648445 /nfs/dbraw/zinc/64/84/45/849648445.db2.gz NXOOVIFIANEFCY-ZDUSSCGKSA-N 1 2 259.309 0.147 20 30 CCEDLO C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038623699 849691276 /nfs/dbraw/zinc/69/12/76/849691276.db2.gz DPZCIPNOPOIQEG-HUUCEWRRSA-N 1 2 295.427 0.862 20 30 CCEDLO C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623699 849691285 /nfs/dbraw/zinc/69/12/85/849691285.db2.gz DPZCIPNOPOIQEG-HUUCEWRRSA-N 1 2 295.427 0.862 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001038217293 849821080 /nfs/dbraw/zinc/82/10/80/849821080.db2.gz NMWAFUBXLOMVGN-STQMWFEESA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001038217293 849821090 /nfs/dbraw/zinc/82/10/90/849821090.db2.gz NMWAFUBXLOMVGN-STQMWFEESA-N 1 2 250.342 0.627 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001038354418 849862775 /nfs/dbraw/zinc/86/27/75/849862775.db2.gz MHZIBHSZZLMUHK-AWEZNQCLSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001038354418 849862782 /nfs/dbraw/zinc/86/27/82/849862782.db2.gz MHZIBHSZZLMUHK-AWEZNQCLSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001038354420 849862796 /nfs/dbraw/zinc/86/27/96/849862796.db2.gz MHZIBHSZZLMUHK-CQSZACIVSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001038354420 849862803 /nfs/dbraw/zinc/86/28/03/849862803.db2.gz MHZIBHSZZLMUHK-CQSZACIVSA-N 1 2 273.336 0.665 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038376870 849869727 /nfs/dbraw/zinc/86/97/27/849869727.db2.gz XPBQEOWOFXIEME-SNVBAGLBSA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038376870 849869735 /nfs/dbraw/zinc/86/97/35/849869735.db2.gz XPBQEOWOFXIEME-SNVBAGLBSA-N 1 2 282.294 0.586 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)n1 ZINC001038440798 849900278 /nfs/dbraw/zinc/90/02/78/849900278.db2.gz AGAWFXIPTPJRFJ-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)n1 ZINC001038440798 849900284 /nfs/dbraw/zinc/90/02/84/849900284.db2.gz AGAWFXIPTPJRFJ-CYBMUJFWSA-N 1 2 295.346 0.705 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038446029 849903847 /nfs/dbraw/zinc/90/38/47/849903847.db2.gz NPFLIEQEPOZDLC-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001038446029 849903852 /nfs/dbraw/zinc/90/38/52/849903852.db2.gz NPFLIEQEPOZDLC-LLVKDONJSA-N 1 2 272.352 0.726 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038458871 849909853 /nfs/dbraw/zinc/90/98/53/849909853.db2.gz XZRXFYSWJKDRAH-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001038458871 849909865 /nfs/dbraw/zinc/90/98/65/849909865.db2.gz XZRXFYSWJKDRAH-LBPRGKRZSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465089 849911541 /nfs/dbraw/zinc/91/15/41/849911541.db2.gz HWRNWFPQORBMOT-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465089 849911552 /nfs/dbraw/zinc/91/15/52/849911552.db2.gz HWRNWFPQORBMOT-LLVKDONJSA-N 1 2 283.335 0.737 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csnn1 ZINC001038558123 849943054 /nfs/dbraw/zinc/94/30/54/849943054.db2.gz TYXDNACGRLNWBI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csnn1 ZINC001038558123 849943058 /nfs/dbraw/zinc/94/30/58/849943058.db2.gz TYXDNACGRLNWBI-VIFPVBQESA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001038700161 849986795 /nfs/dbraw/zinc/98/67/95/849986795.db2.gz CWVBGKXSINGWPU-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001038700161 849986806 /nfs/dbraw/zinc/98/68/06/849986806.db2.gz CWVBGKXSINGWPU-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001038754823 850004094 /nfs/dbraw/zinc/00/40/94/850004094.db2.gz ANIRAXRAUMYGMI-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001038754823 850004099 /nfs/dbraw/zinc/00/40/99/850004099.db2.gz ANIRAXRAUMYGMI-AWEZNQCLSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038764952 850008344 /nfs/dbraw/zinc/00/83/44/850008344.db2.gz TVVBDXBFGWZDHM-LLVKDONJSA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001038764952 850008350 /nfs/dbraw/zinc/00/83/50/850008350.db2.gz TVVBDXBFGWZDHM-LLVKDONJSA-N 1 2 276.340 0.174 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC=C)nn1 ZINC001038789995 850016087 /nfs/dbraw/zinc/01/60/87/850016087.db2.gz NINXRJFRGCBMLG-GFCCVEGCSA-N 1 2 273.340 0.292 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC=C)nn1 ZINC001038789995 850016093 /nfs/dbraw/zinc/01/60/93/850016093.db2.gz NINXRJFRGCBMLG-GFCCVEGCSA-N 1 2 273.340 0.292 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnon2)c1 ZINC001038841125 850039150 /nfs/dbraw/zinc/03/91/50/850039150.db2.gz WIUARDJVMJXBEG-CYBMUJFWSA-N 1 2 297.318 0.946 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnon2)c1 ZINC001038841125 850039158 /nfs/dbraw/zinc/03/91/58/850039158.db2.gz WIUARDJVMJXBEG-CYBMUJFWSA-N 1 2 297.318 0.946 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038865221 850058352 /nfs/dbraw/zinc/05/83/52/850058352.db2.gz VAYLRIYDMIWTQO-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001038865221 850058360 /nfs/dbraw/zinc/05/83/60/850058360.db2.gz VAYLRIYDMIWTQO-CYBMUJFWSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903113 850078265 /nfs/dbraw/zinc/07/82/65/850078265.db2.gz WHDQDFBLVJVEIR-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001038903113 850078290 /nfs/dbraw/zinc/07/82/90/850078290.db2.gz WHDQDFBLVJVEIR-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001039101266 850155230 /nfs/dbraw/zinc/15/52/30/850155230.db2.gz DDCMYBFCYWJVNI-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001039101266 850155240 /nfs/dbraw/zinc/15/52/40/850155240.db2.gz DDCMYBFCYWJVNI-GFCCVEGCSA-N 1 2 273.336 0.918 20 30 CCEDLO N#CCN1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552523 850300846 /nfs/dbraw/zinc/30/08/46/850300846.db2.gz KVTLTQILDSGHJU-HNNXBMFYSA-N 1 2 287.367 0.721 20 30 CCEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216135 850598928 /nfs/dbraw/zinc/59/89/28/850598928.db2.gz MDVBXQLMBAUXNA-WCQYABFASA-N 1 2 288.351 0.295 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001042216135 850598939 /nfs/dbraw/zinc/59/89/39/850598939.db2.gz MDVBXQLMBAUXNA-WCQYABFASA-N 1 2 288.351 0.295 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@@H]21 ZINC001042306447 850612113 /nfs/dbraw/zinc/61/21/13/850612113.db2.gz GUHHISPWLQFYEM-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@@H]21 ZINC001042306447 850612117 /nfs/dbraw/zinc/61/21/17/850612117.db2.gz GUHHISPWLQFYEM-OLZOCXBDSA-N 1 2 287.367 0.293 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001042867585 850772774 /nfs/dbraw/zinc/77/27/74/850772774.db2.gz JUPRUDRRHWRQDC-UHFFFAOYSA-N 1 2 289.383 0.813 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001043186534 850828941 /nfs/dbraw/zinc/82/89/41/850828941.db2.gz QHLCUXBEKFMHSH-NWDGAFQWSA-N 1 2 279.384 0.620 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 ZINC001043940758 850968298 /nfs/dbraw/zinc/96/82/98/850968298.db2.gz YLGBZMNRECXJAI-YPMHNXCESA-N 1 2 279.384 0.620 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)nn2)C1 ZINC001044140037 851020404 /nfs/dbraw/zinc/02/04/04/851020404.db2.gz VXFOADXWWJAIDY-UHFFFAOYSA-N 1 2 274.324 0.265 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@@H](C)COC)C2)nc1 ZINC001044203367 851041724 /nfs/dbraw/zinc/04/17/24/851041724.db2.gz MLXCNUPZGDYDIU-LBPRGKRZSA-N 1 2 287.363 0.854 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692298 851143073 /nfs/dbraw/zinc/14/30/73/851143073.db2.gz GOQCBCCDZMGUQX-STQMWFEESA-N 1 2 275.356 0.766 20 30 CCEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044684991 851143968 /nfs/dbraw/zinc/14/39/68/851143968.db2.gz LPLDEJJPCCDAQH-QWHCGFSZSA-N 1 2 289.383 0.845 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819805 851163081 /nfs/dbraw/zinc/16/30/81/851163081.db2.gz BAQBVQJSFQZCRB-NEPJUHHUSA-N 1 2 275.356 0.455 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001045991589 851342266 /nfs/dbraw/zinc/34/22/66/851342266.db2.gz BNFZZAIJGUQSBH-AWEZNQCLSA-N 1 2 276.384 0.529 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC001046162866 851403206 /nfs/dbraw/zinc/40/32/06/851403206.db2.gz NTNBTARMVDNUCP-GFCCVEGCSA-N 1 2 264.354 0.756 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC001046162866 851403215 /nfs/dbraw/zinc/40/32/15/851403215.db2.gz NTNBTARMVDNUCP-GFCCVEGCSA-N 1 2 264.354 0.756 20 30 CCEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046465177 851519527 /nfs/dbraw/zinc/51/95/27/851519527.db2.gz WWVGWHZNTIGHAH-YPMHNXCESA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046465177 851519519 /nfs/dbraw/zinc/51/95/19/851519519.db2.gz WWVGWHZNTIGHAH-YPMHNXCESA-N 1 2 286.397 0.188 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscn2)C1 ZINC001047323609 851717127 /nfs/dbraw/zinc/71/71/27/851717127.db2.gz UYHMAUJTMAYZRM-RYUDHWBXSA-N 1 2 279.365 0.284 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscn2)C1 ZINC001047323609 851717123 /nfs/dbraw/zinc/71/71/23/851717123.db2.gz UYHMAUJTMAYZRM-RYUDHWBXSA-N 1 2 279.365 0.284 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001047363540 851736904 /nfs/dbraw/zinc/73/69/04/851736904.db2.gz JZFDJXCZHWGQMI-QWRGUYRKSA-N 1 2 282.727 0.683 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001047363540 851736909 /nfs/dbraw/zinc/73/69/09/851736909.db2.gz JZFDJXCZHWGQMI-QWRGUYRKSA-N 1 2 282.727 0.683 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(CC)oc2C)C1 ZINC001047559559 851818862 /nfs/dbraw/zinc/81/88/62/851818862.db2.gz XQQXSSOMNUZLMD-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(CC)oc2C)C1 ZINC001047559559 851818866 /nfs/dbraw/zinc/81/88/66/851818866.db2.gz XQQXSSOMNUZLMD-RYUDHWBXSA-N 1 2 291.351 0.296 20 30 CCEDLO CCC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096259887 851870828 /nfs/dbraw/zinc/87/08/28/851870828.db2.gz OQGUZHDNBQPGSB-UHFFFAOYSA-N 1 2 287.367 0.601 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096260540 851872546 /nfs/dbraw/zinc/87/25/46/851872546.db2.gz GPMNPGJBMGYNTC-UHFFFAOYSA-N 1 2 273.340 0.211 20 30 CCEDLO CC(=O)NCC[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC001096260729 851872580 /nfs/dbraw/zinc/87/25/80/851872580.db2.gz KTPTZWVZTKPLKH-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446026 852277724 /nfs/dbraw/zinc/27/77/24/852277724.db2.gz GGMJRRYQQRDLKT-CHWSQXEVSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001097362123 852530655 /nfs/dbraw/zinc/53/06/55/852530655.db2.gz QSQFDRHETKEEOO-GBOPCIDUSA-N 1 2 299.378 0.691 20 30 CCEDLO C[C@@H](F)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053191094 852706826 /nfs/dbraw/zinc/70/68/26/852706826.db2.gz LTUSPINKOSTWHF-VXGBXAGGSA-N 1 2 283.347 0.807 20 30 CCEDLO CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 ZINC001053219514 852712910 /nfs/dbraw/zinc/71/29/10/852712910.db2.gz SVYGKPGLITWURW-UHFFFAOYSA-N 1 2 288.351 0.823 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccncn1)CCO2 ZINC001053477240 852747408 /nfs/dbraw/zinc/74/74/08/852747408.db2.gz WMWSJMYFSPQHBX-UHFFFAOYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn[nH]1)O2 ZINC001053575333 852761390 /nfs/dbraw/zinc/76/13/90/852761390.db2.gz VHDKSIIUFFIZTC-GFCCVEGCSA-N 1 2 290.367 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nnc1C)O2 ZINC001053635757 852771955 /nfs/dbraw/zinc/77/19/55/852771955.db2.gz LHYZNLICLXBGOD-NSHDSACASA-N 1 2 291.355 0.262 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1[C@@H]3COC[C@@H]31)O2 ZINC001053647171 852772394 /nfs/dbraw/zinc/77/23/94/852772394.db2.gz ODVHNBXUYRQAQQ-MQYQWHSLSA-N 1 2 292.379 0.414 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)n[nH]1)CO2 ZINC001053750303 852802701 /nfs/dbraw/zinc/80/27/01/852802701.db2.gz KVUAWNRFIKSUHE-LBPRGKRZSA-N 1 2 288.351 0.315 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1=CCOCC1)CO2 ZINC001053785347 852820404 /nfs/dbraw/zinc/82/04/04/852820404.db2.gz JIJPHFGICAIFKE-CQSZACIVSA-N 1 2 290.363 0.316 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C)CO2 ZINC001053893178 852839767 /nfs/dbraw/zinc/83/97/67/852839767.db2.gz LYOFUXIGMCYXRG-JHJVBQTASA-N 1 2 262.353 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)CO2 ZINC001053899588 852841822 /nfs/dbraw/zinc/84/18/22/852841822.db2.gz REAZKIKRGDQENS-MQYQWHSLSA-N 1 2 292.379 0.414 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C)n1)CO2 ZINC001054007333 852865988 /nfs/dbraw/zinc/86/59/88/852865988.db2.gz CKINYPGYFXZRQU-LBPRGKRZSA-N 1 2 290.367 0.569 20 30 CCEDLO Cc1nc(N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001056586377 853175307 /nfs/dbraw/zinc/17/53/07/853175307.db2.gz YUMWKBGJSZMCNM-GXSJLCMTSA-N 1 2 259.313 0.958 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C ZINC001050843307 853456847 /nfs/dbraw/zinc/45/68/47/853456847.db2.gz FTPFPVURJMUATK-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C ZINC001050843307 853456851 /nfs/dbraw/zinc/45/68/51/853456851.db2.gz FTPFPVURJMUATK-ZDUSSCGKSA-N 1 2 292.383 0.817 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001050931890 853488534 /nfs/dbraw/zinc/48/85/34/853488534.db2.gz RADCPNGLXDLKLO-GUTXKFCHSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001050931890 853488535 /nfs/dbraw/zinc/48/85/35/853488535.db2.gz RADCPNGLXDLKLO-GUTXKFCHSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001051057332 853513234 /nfs/dbraw/zinc/51/32/34/853513234.db2.gz DGGGQXCYOBQWGD-LLVKDONJSA-N 1 2 279.344 0.120 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001051057332 853513236 /nfs/dbraw/zinc/51/32/36/853513236.db2.gz DGGGQXCYOBQWGD-LLVKDONJSA-N 1 2 279.344 0.120 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001051123788 853528572 /nfs/dbraw/zinc/52/85/72/853528572.db2.gz GAJVLLJXUJDIMB-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001051123788 853528574 /nfs/dbraw/zinc/52/85/74/853528574.db2.gz GAJVLLJXUJDIMB-MCIONIFRSA-N 1 2 282.384 0.805 20 30 CCEDLO CS[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001051988873 853669790 /nfs/dbraw/zinc/66/97/90/853669790.db2.gz AGABBRIHOSAZCX-STQMWFEESA-N 1 2 296.440 0.480 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001052005544 853673400 /nfs/dbraw/zinc/67/34/00/853673400.db2.gz DCIQBVGIHJYTOR-ZBFHGGJFSA-N 1 2 289.423 0.884 20 30 CCEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026765 853677746 /nfs/dbraw/zinc/67/77/46/853677746.db2.gz SXUVJSBZNRHYKH-OAHLLOKOSA-N 1 2 286.379 0.142 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052065526 853681503 /nfs/dbraw/zinc/68/15/03/853681503.db2.gz OWKHEMZDQXRMBY-ZNMIVQPWSA-N 1 2 275.396 0.494 20 30 CCEDLO N#Cc1cnccc1N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001058393437 853838662 /nfs/dbraw/zinc/83/86/62/853838662.db2.gz YGKHVNUWMJTQAL-CYBMUJFWSA-N 1 2 296.334 0.545 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098058929 853882380 /nfs/dbraw/zinc/88/23/80/853882380.db2.gz GQBRABRVGMSMGL-GHMZBOCLSA-N 1 2 276.340 0.740 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001070934974 854104371 /nfs/dbraw/zinc/10/43/71/854104371.db2.gz UOHMRMIRESLJFK-OLZOCXBDSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001070934974 854104376 /nfs/dbraw/zinc/10/43/76/854104376.db2.gz UOHMRMIRESLJFK-OLZOCXBDSA-N 1 2 279.384 0.479 20 30 CCEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001070934762 854104518 /nfs/dbraw/zinc/10/45/18/854104518.db2.gz OJEDODFKUQTRRT-KBPBESRZSA-N 1 2 293.411 0.869 20 30 CCEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001070934762 854104521 /nfs/dbraw/zinc/10/45/21/854104521.db2.gz OJEDODFKUQTRRT-KBPBESRZSA-N 1 2 293.411 0.869 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001070934976 854104742 /nfs/dbraw/zinc/10/47/42/854104742.db2.gz UOHMRMIRESLJFK-STQMWFEESA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001070934976 854104746 /nfs/dbraw/zinc/10/47/46/854104746.db2.gz UOHMRMIRESLJFK-STQMWFEESA-N 1 2 279.384 0.479 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)OC)CC1 ZINC001070947356 854108092 /nfs/dbraw/zinc/10/80/92/854108092.db2.gz SOEQOTDWVYXJJV-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)OC)CC1 ZINC001070947356 854108096 /nfs/dbraw/zinc/10/80/96/854108096.db2.gz SOEQOTDWVYXJJV-ZDUSSCGKSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[N@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001071533418 854232201 /nfs/dbraw/zinc/23/22/01/854232201.db2.gz GWUINPVXOWEMHP-CMPLNLGQSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001071533418 854232209 /nfs/dbraw/zinc/23/22/09/854232209.db2.gz GWUINPVXOWEMHP-CMPLNLGQSA-N 1 2 286.397 0.186 20 30 CCEDLO C=CCCC(=O)N1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001071791409 854295286 /nfs/dbraw/zinc/29/52/86/854295286.db2.gz SXDRVPJEKSCZID-RYUDHWBXSA-N 1 2 290.367 0.882 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860679 854482497 /nfs/dbraw/zinc/48/24/97/854482497.db2.gz BPSVZDSMXFIQOH-ZDUSSCGKSA-N 1 2 299.378 0.503 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073017327 854515624 /nfs/dbraw/zinc/51/56/24/854515624.db2.gz BSLPJJQEXBSDAZ-UHFFFAOYSA-N 1 2 259.313 0.010 20 30 CCEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001074205295 854695703 /nfs/dbraw/zinc/69/57/03/854695703.db2.gz PPPFOTFDWNJDLZ-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001074205295 854695704 /nfs/dbraw/zinc/69/57/04/854695704.db2.gz PPPFOTFDWNJDLZ-KBPBESRZSA-N 1 2 288.351 0.822 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC001074360629 854714850 /nfs/dbraw/zinc/71/48/50/854714850.db2.gz OSIBPXCZSFABNO-NEPJUHHUSA-N 1 2 291.355 0.296 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 ZINC001074360629 854714858 /nfs/dbraw/zinc/71/48/58/854714858.db2.gz OSIBPXCZSFABNO-NEPJUHHUSA-N 1 2 291.355 0.296 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001074717278 854769822 /nfs/dbraw/zinc/76/98/22/854769822.db2.gz HXYNNFQHVBIPRY-SCRDCRAPSA-N 1 2 287.367 0.548 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669508 854875238 /nfs/dbraw/zinc/87/52/38/854875238.db2.gz SCFPTPARVGCLNW-HNNXBMFYSA-N 1 2 297.362 0.188 20 30 CCEDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001100042811 855081140 /nfs/dbraw/zinc/08/11/40/855081140.db2.gz OMLUTKRWQMCTFM-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001100589676 855194245 /nfs/dbraw/zinc/19/42/45/855194245.db2.gz LAOPHWAAIJFXFR-UHFFFAOYSA-N 1 2 298.350 0.862 20 30 CCEDLO C=CCOCC(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100946713 855245618 /nfs/dbraw/zinc/24/56/18/855245618.db2.gz YHQCFYPLTDKRJL-CYBMUJFWSA-N 1 2 290.367 0.930 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728941 855356815 /nfs/dbraw/zinc/35/68/15/855356815.db2.gz RDGZCOIVTFUVGL-UHFFFAOYSA-N 1 2 285.311 0.184 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)CCn1cc[nH+]c1 ZINC001101889319 855386217 /nfs/dbraw/zinc/38/62/17/855386217.db2.gz WVYFUBUBCGUDLD-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102702855 855465709 /nfs/dbraw/zinc/46/57/09/855465709.db2.gz ZTYQITVJTZRQHB-CMPLNLGQSA-N 1 2 273.340 0.982 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1cnc(C#N)cn1 ZINC001104052984 855564407 /nfs/dbraw/zinc/56/44/07/855564407.db2.gz NXYQLJVUTWXJLD-SNVBAGLBSA-N 1 2 299.338 0.478 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)o1 ZINC001116558770 855788097 /nfs/dbraw/zinc/78/80/97/855788097.db2.gz DUVKLAGHZIZABS-SECBINFHSA-N 1 2 265.317 0.791 20 30 CCEDLO COCC#CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001118543212 856334485 /nfs/dbraw/zinc/33/44/85/856334485.db2.gz FYEYCCCBDUTIKX-UHFFFAOYSA-N 1 2 272.348 0.981 20 30 CCEDLO C[C@H](C(=O)N1CCN(CCC#N)CC1)n1cc[nH+]c1 ZINC001119108863 856563339 /nfs/dbraw/zinc/56/33/39/856563339.db2.gz OHHHLUOTVBOZLM-GFCCVEGCSA-N 1 2 261.329 0.502 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001323245323 912217011 /nfs/dbraw/zinc/21/70/11/912217011.db2.gz ZHQHWGUNWDUWOC-CHWSQXEVSA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001323245323 912217027 /nfs/dbraw/zinc/21/70/27/912217027.db2.gz ZHQHWGUNWDUWOC-CHWSQXEVSA-N 1 2 279.384 0.812 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ncnn2CCF)CC1 ZINC001392890589 912236834 /nfs/dbraw/zinc/23/68/34/912236834.db2.gz UJNCLDLHLTWJRZ-SNVBAGLBSA-N 1 2 294.334 0.146 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001323279287 912239149 /nfs/dbraw/zinc/23/91/49/912239149.db2.gz UBQCGCITNKTYMT-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001323279287 912239164 /nfs/dbraw/zinc/23/91/64/912239164.db2.gz UBQCGCITNKTYMT-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1occc1C ZINC001323300665 912256515 /nfs/dbraw/zinc/25/65/15/912256515.db2.gz AYINYRCGPLEPFH-CQSZACIVSA-N 1 2 290.363 0.971 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1occc1C ZINC001323300665 912256532 /nfs/dbraw/zinc/25/65/32/912256532.db2.gz AYINYRCGPLEPFH-CQSZACIVSA-N 1 2 290.363 0.971 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001323762113 912507666 /nfs/dbraw/zinc/50/76/66/912507666.db2.gz GEXGKASDBAYEOE-HZSPNIEDSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001323762113 912507680 /nfs/dbraw/zinc/50/76/80/912507680.db2.gz GEXGKASDBAYEOE-HZSPNIEDSA-N 1 2 291.395 0.906 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CNC(=O)N2CCCC2)C1 ZINC001323921932 912582226 /nfs/dbraw/zinc/58/22/26/912582226.db2.gz VYAIIZVIYGEZLA-UHFFFAOYSA-N 1 2 280.372 0.120 20 30 CCEDLO CN(C)c1[nH+]cc(CN=Nc2nncc(N)c2Cl)n1C ZINC001323949434 912598667 /nfs/dbraw/zinc/59/86/67/912598667.db2.gz XUJROFDCURPOPP-UHFFFAOYSA-N 1 2 294.750 0.958 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001394028843 912919711 /nfs/dbraw/zinc/91/97/11/912919711.db2.gz CYYYEZDTHKLXNN-NXEZZACHSA-N 1 2 275.780 0.700 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001394028843 912919722 /nfs/dbraw/zinc/91/97/22/912919722.db2.gz CYYYEZDTHKLXNN-NXEZZACHSA-N 1 2 275.780 0.700 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001324915078 913096282 /nfs/dbraw/zinc/09/62/82/913096282.db2.gz PIYXAIFNKWRDPL-NEPJUHHUSA-N 1 2 261.325 0.336 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(COC)CCCC2)C1 ZINC001325224908 913287175 /nfs/dbraw/zinc/28/71/75/913287175.db2.gz NVHWENIQCZBTKT-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222429 913287427 /nfs/dbraw/zinc/28/74/27/913287427.db2.gz HIRWNLSNCMTITN-QWRGUYRKSA-N 1 2 292.387 0.858 20 30 CCEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC001325222429 913287446 /nfs/dbraw/zinc/28/74/46/913287446.db2.gz HIRWNLSNCMTITN-QWRGUYRKSA-N 1 2 292.387 0.858 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001325262332 913303567 /nfs/dbraw/zinc/30/35/67/913303567.db2.gz AKGLDNUBGJTVEE-CYBMUJFWSA-N 1 2 264.369 0.775 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)CCCC=C)C1 ZINC001325260123 913303695 /nfs/dbraw/zinc/30/36/95/913303695.db2.gz ZPDIPGWEWDETET-UHFFFAOYSA-N 1 2 250.342 0.529 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001325307962 913336723 /nfs/dbraw/zinc/33/67/23/913336723.db2.gz JLPIUIJPDAUCJV-CYBMUJFWSA-N 1 2 282.384 0.542 20 30 CCEDLO C=CC[C@H](CC)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001325329422 913345267 /nfs/dbraw/zinc/34/52/67/913345267.db2.gz VVYUEPICPKNQES-LBPRGKRZSA-N 1 2 278.356 0.860 20 30 CCEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccnn1C ZINC001394827135 913457827 /nfs/dbraw/zinc/45/78/27/913457827.db2.gz DMBRBTWRGYFHSL-GFCCVEGCSA-N 1 2 293.371 0.144 20 30 CCEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccnn1C ZINC001394827135 913457831 /nfs/dbraw/zinc/45/78/31/913457831.db2.gz DMBRBTWRGYFHSL-GFCCVEGCSA-N 1 2 293.371 0.144 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001480870107 891457178 /nfs/dbraw/zinc/45/71/78/891457178.db2.gz FCAYHDAQEDEMGP-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001480870107 891457183 /nfs/dbraw/zinc/45/71/83/891457183.db2.gz FCAYHDAQEDEMGP-UHFFFAOYSA-N 1 2 287.791 0.655 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCC2CC2)C1 ZINC001282699768 891476705 /nfs/dbraw/zinc/47/67/05/891476705.db2.gz AAYWIHQNIPLGAG-GFCCVEGCSA-N 1 2 293.411 0.915 20 30 CCEDLO CN(CC#N)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001480884625 891554611 /nfs/dbraw/zinc/55/46/11/891554611.db2.gz QCBQQBCMBQHGLC-NSHDSACASA-N 1 2 261.329 0.017 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001480944054 891920733 /nfs/dbraw/zinc/92/07/33/891920733.db2.gz QPAJZZGYDOUTCW-UHFFFAOYSA-N 1 2 257.725 0.079 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001480944054 891920744 /nfs/dbraw/zinc/92/07/44/891920744.db2.gz QPAJZZGYDOUTCW-UHFFFAOYSA-N 1 2 257.725 0.079 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001481037857 892101886 /nfs/dbraw/zinc/10/18/86/892101886.db2.gz MHCJOSUNCUDXPQ-ZDUSSCGKSA-N 1 2 289.383 0.555 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001481037857 892101898 /nfs/dbraw/zinc/10/18/98/892101898.db2.gz MHCJOSUNCUDXPQ-ZDUSSCGKSA-N 1 2 289.383 0.555 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001481058714 892119383 /nfs/dbraw/zinc/11/93/83/892119383.db2.gz OFQYDTOTHAYARO-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001481058714 892119388 /nfs/dbraw/zinc/11/93/88/892119388.db2.gz OFQYDTOTHAYARO-CYBMUJFWSA-N 1 2 275.356 0.341 20 30 CCEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncccn1 ZINC001481132263 892214920 /nfs/dbraw/zinc/21/49/20/892214920.db2.gz INHMZAZVNQDOIF-LBPRGKRZSA-N 1 2 275.356 0.964 20 30 CCEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncccn1 ZINC001481132263 892214936 /nfs/dbraw/zinc/21/49/36/892214936.db2.gz INHMZAZVNQDOIF-LBPRGKRZSA-N 1 2 275.356 0.964 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001283744251 892329622 /nfs/dbraw/zinc/32/96/22/892329622.db2.gz FARRPKRCPVVKTP-ONGXEEELSA-N 1 2 281.360 0.207 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001408790459 892382852 /nfs/dbraw/zinc/38/28/52/892382852.db2.gz JABMLNAAFXAJAM-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC001325998872 913684326 /nfs/dbraw/zinc/68/43/26/913684326.db2.gz DXLDZTYDWPKVDW-CQSZACIVSA-N 1 2 291.355 0.723 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCN2CCCC2=O)C1 ZINC001481603654 892890370 /nfs/dbraw/zinc/89/03/70/892890370.db2.gz WESGAZCHDCDAND-UHFFFAOYSA-N 1 2 265.357 0.375 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001481614807 892905654 /nfs/dbraw/zinc/90/56/54/892905654.db2.gz VXGULVIRCIXQIL-UHFFFAOYSA-N 1 2 267.373 0.525 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001481641186 892952137 /nfs/dbraw/zinc/95/21/37/892952137.db2.gz POFFKSJCEZVOQY-INIZCTEOSA-N 1 2 289.379 0.140 20 30 CCEDLO CCN(C(=O)C(C)(C)F)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481757523 893119497 /nfs/dbraw/zinc/11/94/97/893119497.db2.gz RJSITFRJXLMITC-NSHDSACASA-N 1 2 298.362 0.297 20 30 CCEDLO CCN(C(=O)C(C)(C)F)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481757523 893119501 /nfs/dbraw/zinc/11/95/01/893119501.db2.gz RJSITFRJXLMITC-NSHDSACASA-N 1 2 298.362 0.297 20 30 CCEDLO CC(C)c1nnc(C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001493498651 893439803 /nfs/dbraw/zinc/43/98/03/893439803.db2.gz CZLLFWHICXMOHW-JTQLQIEISA-N 1 2 279.344 0.901 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2ccncn2)C1 ZINC001482190111 893482279 /nfs/dbraw/zinc/48/22/79/893482279.db2.gz XINZOUXHKKWWGO-CQSZACIVSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2ccncn2)C1 ZINC001482190111 893482290 /nfs/dbraw/zinc/48/22/90/893482290.db2.gz XINZOUXHKKWWGO-CQSZACIVSA-N 1 2 290.367 0.412 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)OC)C1 ZINC001482194147 893495573 /nfs/dbraw/zinc/49/55/73/893495573.db2.gz AXUQCNKIWGWODM-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)OC)C1 ZINC001482194147 893495578 /nfs/dbraw/zinc/49/55/78/893495578.db2.gz AXUQCNKIWGWODM-CHWSQXEVSA-N 1 2 270.373 0.805 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001482198815 893516148 /nfs/dbraw/zinc/51/61/48/893516148.db2.gz GKNJIKVUOHYHTI-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001482198815 893516171 /nfs/dbraw/zinc/51/61/71/893516171.db2.gz GKNJIKVUOHYHTI-KBPBESRZSA-N 1 2 297.399 0.294 20 30 CCEDLO CC(C)C[C@H](CNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001482390377 893945257 /nfs/dbraw/zinc/94/52/57/893945257.db2.gz ITXQPOHOFAZBJD-CYBMUJFWSA-N 1 2 277.372 0.917 20 30 CCEDLO CN(CCNC(=O)Cc1c[nH+]cn1C)c1ccc(C#N)nc1 ZINC001396194244 913829143 /nfs/dbraw/zinc/82/91/43/913829143.db2.gz BHWWUAAJAKINKK-UHFFFAOYSA-N 1 2 298.350 0.482 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccccc1 ZINC001482577095 894271056 /nfs/dbraw/zinc/27/10/56/894271056.db2.gz UXXVTCCKINFOOP-UHFFFAOYSA-N 1 2 287.363 0.440 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccccc1 ZINC001482577095 894271069 /nfs/dbraw/zinc/27/10/69/894271069.db2.gz UXXVTCCKINFOOP-UHFFFAOYSA-N 1 2 287.363 0.440 20 30 CCEDLO N#CCNCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001326367072 913914753 /nfs/dbraw/zinc/91/47/53/913914753.db2.gz AIOBUNQXUHEMFN-LLVKDONJSA-N 1 2 261.329 0.304 20 30 CCEDLO C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)C#CC1CC1 ZINC001483336201 895472396 /nfs/dbraw/zinc/47/23/96/895472396.db2.gz KYPAHPNEYJCWNT-LLVKDONJSA-N 1 2 275.356 0.165 20 30 CCEDLO C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)C#CC1CC1 ZINC001483336201 895472402 /nfs/dbraw/zinc/47/24/02/895472402.db2.gz KYPAHPNEYJCWNT-LLVKDONJSA-N 1 2 275.356 0.165 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/C ZINC001483641310 895778273 /nfs/dbraw/zinc/77/82/73/895778273.db2.gz ODAAMBGBCCQPRN-NHFJXKHHSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C/C ZINC001483641310 895778292 /nfs/dbraw/zinc/77/82/92/895778292.db2.gz ODAAMBGBCCQPRN-NHFJXKHHSA-N 1 2 279.384 0.834 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)NC(C)=O)C1 ZINC001483883838 896095209 /nfs/dbraw/zinc/09/52/09/896095209.db2.gz UFIUQCVTOPGNLJ-UHFFFAOYSA-N 1 2 265.357 0.067 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CNCC#N ZINC001483947627 896128287 /nfs/dbraw/zinc/12/82/87/896128287.db2.gz UCMRWZXVVBFQOU-DGCLKSJQSA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CNCC#N ZINC001483947627 896128296 /nfs/dbraw/zinc/12/82/96/896128296.db2.gz UCMRWZXVVBFQOU-DGCLKSJQSA-N 1 2 275.356 0.692 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001484065939 896180360 /nfs/dbraw/zinc/18/03/60/896180360.db2.gz QKHURCQRBYYAQG-AWEZNQCLSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001484065939 896180364 /nfs/dbraw/zinc/18/03/64/896180364.db2.gz QKHURCQRBYYAQG-AWEZNQCLSA-N 1 2 293.392 0.987 20 30 CCEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001484196562 896230776 /nfs/dbraw/zinc/23/07/76/896230776.db2.gz VAZGRVPTLRUIDW-SNVBAGLBSA-N 1 2 299.325 0.607 20 30 CCEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001484196562 896230783 /nfs/dbraw/zinc/23/07/83/896230783.db2.gz VAZGRVPTLRUIDW-SNVBAGLBSA-N 1 2 299.325 0.607 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nnc(C)o2)C1 ZINC001484207492 896238368 /nfs/dbraw/zinc/23/83/68/896238368.db2.gz GBRZFIITXYRXBE-CQSZACIVSA-N 1 2 294.355 0.397 20 30 CCEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2nnc(C)o2)C1 ZINC001484207492 896238382 /nfs/dbraw/zinc/23/83/82/896238382.db2.gz GBRZFIITXYRXBE-CQSZACIVSA-N 1 2 294.355 0.397 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccsc2C)C1 ZINC001484273268 896299686 /nfs/dbraw/zinc/29/96/86/896299686.db2.gz XCMDMDFAJIQSND-UHFFFAOYSA-N 1 2 278.377 0.856 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484593058 896479343 /nfs/dbraw/zinc/47/93/43/896479343.db2.gz UFVCMRGTAXHPGY-CQSZACIVSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001484593058 896479350 /nfs/dbraw/zinc/47/93/50/896479350.db2.gz UFVCMRGTAXHPGY-CQSZACIVSA-N 1 2 262.353 0.793 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001484588344 896485160 /nfs/dbraw/zinc/48/51/60/896485160.db2.gz XEXIOWDOOGSLQQ-ZIAGYGMSSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001484588344 896485168 /nfs/dbraw/zinc/48/51/68/896485168.db2.gz XEXIOWDOOGSLQQ-ZIAGYGMSSA-N 1 2 292.383 0.837 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)O2 ZINC001484784642 896601649 /nfs/dbraw/zinc/60/16/49/896601649.db2.gz ONWLZUIIEPFEKN-NWDGAFQWSA-N 1 2 295.383 0.034 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001397221802 914101619 /nfs/dbraw/zinc/10/16/19/914101619.db2.gz ASNKRBSCNMKSDV-LSJOCFKGSA-N 1 2 289.339 0.184 20 30 CCEDLO CC#CCCCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485414222 897044709 /nfs/dbraw/zinc/04/47/09/897044709.db2.gz HZFUZYNYGWBMOF-UHFFFAOYSA-N 1 2 282.384 0.115 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001485417164 897045228 /nfs/dbraw/zinc/04/52/28/897045228.db2.gz ZOIKSQUJODEBKQ-CYBMUJFWSA-N 1 2 296.411 0.931 20 30 CCEDLO CCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001485679337 897176945 /nfs/dbraw/zinc/17/69/45/897176945.db2.gz MVQNIMAPXHDKBS-GMTAPVOTSA-N 1 2 291.355 0.776 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001326758092 914141489 /nfs/dbraw/zinc/14/14/89/914141489.db2.gz SVZHVSZWXQWFOJ-UHFFFAOYSA-N 1 2 277.368 0.213 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001107843192 897338554 /nfs/dbraw/zinc/33/85/54/897338554.db2.gz FSUFFBWRMHAWEN-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001107843192 897338567 /nfs/dbraw/zinc/33/85/67/897338567.db2.gz FSUFFBWRMHAWEN-OAHLLOKOSA-N 1 2 291.351 0.794 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836519 897338900 /nfs/dbraw/zinc/33/89/00/897338900.db2.gz YAPWZKVDKYBDMB-HNNXBMFYSA-N 1 2 290.367 0.183 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001107836519 897338913 /nfs/dbraw/zinc/33/89/13/897338913.db2.gz YAPWZKVDKYBDMB-HNNXBMFYSA-N 1 2 290.367 0.183 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](O)C(C)C ZINC001032385837 897396774 /nfs/dbraw/zinc/39/67/74/897396774.db2.gz IWQSJGJUCSKXDB-RWMBFGLXSA-N 1 2 250.342 0.312 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](O)C(C)C ZINC001032385837 897396779 /nfs/dbraw/zinc/39/67/79/897396779.db2.gz IWQSJGJUCSKXDB-RWMBFGLXSA-N 1 2 250.342 0.312 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OCC)C1 ZINC001032386172 897398426 /nfs/dbraw/zinc/39/84/26/897398426.db2.gz UVZUGSNODJHLEC-QPPOZKHWSA-N 1 2 262.353 0.720 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OCC)C1 ZINC001032386172 897398443 /nfs/dbraw/zinc/39/84/43/897398443.db2.gz UVZUGSNODJHLEC-QPPOZKHWSA-N 1 2 262.353 0.720 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001077765620 897441505 /nfs/dbraw/zinc/44/15/05/897441505.db2.gz WGAOQZXUOPPWIA-GHMZBOCLSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001077765620 897441509 /nfs/dbraw/zinc/44/15/09/897441509.db2.gz WGAOQZXUOPPWIA-GHMZBOCLSA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnnc(C)c2)C1 ZINC001107898666 897460463 /nfs/dbraw/zinc/46/04/63/897460463.db2.gz IASGDZZWIPCNRI-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnnc(C)c2)C1 ZINC001107898666 897460474 /nfs/dbraw/zinc/46/04/74/897460474.db2.gz IASGDZZWIPCNRI-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnnc(C)c2)C1 ZINC001107898667 897462394 /nfs/dbraw/zinc/46/23/94/897462394.db2.gz IASGDZZWIPCNRI-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnnc(C)c2)C1 ZINC001107898667 897462408 /nfs/dbraw/zinc/46/24/08/897462408.db2.gz IASGDZZWIPCNRI-OAHLLOKOSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001038609896 897492608 /nfs/dbraw/zinc/49/26/08/897492608.db2.gz GHRPZKSYDWLTHV-MRVPVSSYSA-N 1 2 251.311 0.286 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001038609896 897492618 /nfs/dbraw/zinc/49/26/18/897492618.db2.gz GHRPZKSYDWLTHV-MRVPVSSYSA-N 1 2 251.311 0.286 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1OC ZINC001032435829 897558525 /nfs/dbraw/zinc/55/85/25/897558525.db2.gz GOAXEEMGYLGSBL-RYUDHWBXSA-N 1 2 288.351 0.878 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1OC ZINC001032435829 897558537 /nfs/dbraw/zinc/55/85/37/897558537.db2.gz GOAXEEMGYLGSBL-RYUDHWBXSA-N 1 2 288.351 0.878 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(CC)CCNC1=O ZINC001032455651 897593274 /nfs/dbraw/zinc/59/32/74/897593274.db2.gz VBWBPMRUNLLJEH-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(CC)CCNC1=O ZINC001032455651 897593279 /nfs/dbraw/zinc/59/32/79/897593279.db2.gz VBWBPMRUNLLJEH-HEHGZKQESA-N 1 2 289.379 0.211 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ncn(C)c21 ZINC001032454244 897600281 /nfs/dbraw/zinc/60/02/81/897600281.db2.gz JODAJQMHMFYBDT-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ncn(C)c21 ZINC001032454244 897600291 /nfs/dbraw/zinc/60/02/91/897600291.db2.gz JODAJQMHMFYBDT-RYUDHWBXSA-N 1 2 295.346 0.500 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@H+](Cc3csnn3)C2)C1=O ZINC001272780315 897661971 /nfs/dbraw/zinc/66/19/71/897661971.db2.gz FLZBXQRASXFJOJ-ZDUSSCGKSA-N 1 2 276.365 0.596 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@@H+](Cc3csnn3)C2)C1=O ZINC001272780315 897661979 /nfs/dbraw/zinc/66/19/79/897661979.db2.gz FLZBXQRASXFJOJ-ZDUSSCGKSA-N 1 2 276.365 0.596 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001032535687 897718109 /nfs/dbraw/zinc/71/81/09/897718109.db2.gz SOQPHSUECKCPMW-BYNSBNAKSA-N 1 2 298.390 0.832 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001032535687 897718118 /nfs/dbraw/zinc/71/81/18/897718118.db2.gz SOQPHSUECKCPMW-BYNSBNAKSA-N 1 2 298.390 0.832 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O ZINC001032563492 897748708 /nfs/dbraw/zinc/74/87/08/897748708.db2.gz YNAWTGFCCBMZBP-SDDRHHMPSA-N 1 2 279.384 0.748 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O ZINC001032563492 897748718 /nfs/dbraw/zinc/74/87/18/897748718.db2.gz YNAWTGFCCBMZBP-SDDRHHMPSA-N 1 2 279.384 0.748 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC(=O)N1 ZINC001032621870 897837065 /nfs/dbraw/zinc/83/70/65/897837065.db2.gz MMBDIHDPJMEAFS-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC(=O)N1 ZINC001032621870 897837070 /nfs/dbraw/zinc/83/70/70/897837070.db2.gz MMBDIHDPJMEAFS-IHRRRGAJSA-N 1 2 289.379 0.354 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636420 897864148 /nfs/dbraw/zinc/86/41/48/897864148.db2.gz GEGMLCZJIILRKG-STQMWFEESA-N 1 2 275.356 0.599 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 ZINC001032636420 897864154 /nfs/dbraw/zinc/86/41/54/897864154.db2.gz GEGMLCZJIILRKG-STQMWFEESA-N 1 2 275.356 0.599 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001032721801 897977969 /nfs/dbraw/zinc/97/79/69/897977969.db2.gz IZQQLTDBBCOCFV-AGIUHOORSA-N 1 2 277.368 0.326 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001032721801 897977978 /nfs/dbraw/zinc/97/79/78/897977978.db2.gz IZQQLTDBBCOCFV-AGIUHOORSA-N 1 2 277.368 0.326 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001077840778 897984298 /nfs/dbraw/zinc/98/42/98/897984298.db2.gz MFIHBNFJVMIRRL-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001077840778 897984310 /nfs/dbraw/zinc/98/43/10/897984310.db2.gz MFIHBNFJVMIRRL-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001032750119 898082435 /nfs/dbraw/zinc/08/24/35/898082435.db2.gz LJEOCGAQIUFTIF-KBPBESRZSA-N 1 2 270.332 0.984 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001032750119 898082448 /nfs/dbraw/zinc/08/24/48/898082448.db2.gz LJEOCGAQIUFTIF-KBPBESRZSA-N 1 2 270.332 0.984 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OCC ZINC001272888877 898123735 /nfs/dbraw/zinc/12/37/35/898123735.db2.gz DGEOLDSMGUIFMK-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OCC ZINC001272888877 898123742 /nfs/dbraw/zinc/12/37/42/898123742.db2.gz DGEOLDSMGUIFMK-VXGBXAGGSA-N 1 2 266.341 0.801 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCCC1=O ZINC001032771868 898155309 /nfs/dbraw/zinc/15/53/09/898155309.db2.gz MKKUURURYLETEO-KBPBESRZSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCCC1=O ZINC001032771868 898155315 /nfs/dbraw/zinc/15/53/15/898155315.db2.gz MKKUURURYLETEO-KBPBESRZSA-N 1 2 289.379 0.307 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001077999290 898170674 /nfs/dbraw/zinc/17/06/74/898170674.db2.gz CLTYQAWWJFMMPB-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001077999290 898170681 /nfs/dbraw/zinc/17/06/81/898170681.db2.gz CLTYQAWWJFMMPB-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078033830 898191365 /nfs/dbraw/zinc/19/13/65/898191365.db2.gz CABSUGWYWFJVRI-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001078049470 898203760 /nfs/dbraw/zinc/20/37/60/898203760.db2.gz LLHCGVBIPBSJGB-RKDXNWHRSA-N 1 2 283.715 0.126 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001078049470 898203774 /nfs/dbraw/zinc/20/37/74/898203774.db2.gz LLHCGVBIPBSJGB-RKDXNWHRSA-N 1 2 283.715 0.126 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H](O)C1 ZINC001083798201 898305489 /nfs/dbraw/zinc/30/54/89/898305489.db2.gz PDRBYSNYDFYJOD-CABCVRRESA-N 1 2 270.332 0.738 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H](O)C1 ZINC001083798201 898305498 /nfs/dbraw/zinc/30/54/98/898305498.db2.gz PDRBYSNYDFYJOD-CABCVRRESA-N 1 2 270.332 0.738 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H]1C ZINC001486181944 898698970 /nfs/dbraw/zinc/69/89/70/898698970.db2.gz WBARWGSXGNBGCW-QWRGUYRKSA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H]1C ZINC001486181944 898698980 /nfs/dbraw/zinc/69/89/80/898698980.db2.gz WBARWGSXGNBGCW-QWRGUYRKSA-N 1 2 299.802 0.974 20 30 CCEDLO N#CCN1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001486513636 898916517 /nfs/dbraw/zinc/91/65/17/898916517.db2.gz VBQAXSUCMGPTJT-UHFFFAOYSA-N 1 2 273.340 0.545 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001433192846 899362992 /nfs/dbraw/zinc/36/29/92/899362992.db2.gz OQJOVTYUWUQEGW-SNVBAGLBSA-N 1 2 277.328 0.029 20 30 CCEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001324354104 899677852 /nfs/dbraw/zinc/67/78/52/899677852.db2.gz ZZFMHYBHWXZFQF-UHFFFAOYSA-N 1 2 276.340 0.824 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001488675708 900339603 /nfs/dbraw/zinc/33/96/03/900339603.db2.gz HGWQPYZNVSOITN-GOEBONIOSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001488675708 900339614 /nfs/dbraw/zinc/33/96/14/900339614.db2.gz HGWQPYZNVSOITN-GOEBONIOSA-N 1 2 291.395 0.411 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@H+](Cc1ncnn1C)C1CC1 ZINC001490366856 900611131 /nfs/dbraw/zinc/61/11/31/900611131.db2.gz JEZHLAPUKRUTRN-LLVKDONJSA-N 1 2 290.371 0.445 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](Cc1ncnn1C)C1CC1 ZINC001490366856 900611135 /nfs/dbraw/zinc/61/11/35/900611135.db2.gz JEZHLAPUKRUTRN-LLVKDONJSA-N 1 2 290.371 0.445 20 30 CCEDLO Cn1nccc1C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001490435946 900630217 /nfs/dbraw/zinc/63/02/17/900630217.db2.gz AUILVLGLRWMAKT-AWEZNQCLSA-N 1 2 286.379 0.914 20 30 CCEDLO Cn1nccc1C[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001490435946 900630222 /nfs/dbraw/zinc/63/02/22/900630222.db2.gz AUILVLGLRWMAKT-AWEZNQCLSA-N 1 2 286.379 0.914 20 30 CCEDLO CCC(CC)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001398297420 914612680 /nfs/dbraw/zinc/61/26/80/914612680.db2.gz VYTIGCZBQATBJX-YPMHNXCESA-N 1 2 294.399 0.641 20 30 CCEDLO CCC(CC)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001398297420 914612696 /nfs/dbraw/zinc/61/26/96/914612696.db2.gz VYTIGCZBQATBJX-YPMHNXCESA-N 1 2 294.399 0.641 20 30 CCEDLO C#CCCCC(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001491442139 903598814 /nfs/dbraw/zinc/59/88/14/903598814.db2.gz QOXOQXMVALJKEL-JTQLQIEISA-N 1 2 266.370 0.936 20 30 CCEDLO N#Cc1cnn(CCn2cc(Cn3cc[nH+]c3)nn2)c1 ZINC001327781711 914766323 /nfs/dbraw/zinc/76/63/23/914766323.db2.gz ONTJZAPZXFCTLH-UHFFFAOYSA-N 1 2 268.284 0.291 20 30 CCEDLO C=CCOCCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001327792549 914771397 /nfs/dbraw/zinc/77/13/97/914771397.db2.gz HZNWTVLZTWZHOR-UHFFFAOYSA-N 1 2 291.351 0.633 20 30 CCEDLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C#CC(C)C)s1 ZINC001331703205 904007829 /nfs/dbraw/zinc/00/78/29/904007829.db2.gz CBIMVAGHILFFTI-NSHDSACASA-N 1 2 296.396 0.073 20 30 CCEDLO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC)O2 ZINC001280918800 904172098 /nfs/dbraw/zinc/17/20/98/904172098.db2.gz ILARJMPCBGGZCJ-ZDUSSCGKSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC(=O)N[C@H]1COC2(C[NH+]([C@@H](C)COC)C2)C1 ZINC001280935193 904175273 /nfs/dbraw/zinc/17/52/73/904175273.db2.gz KEXQQMHGTSOJKA-QWHCGFSZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001282403921 904470078 /nfs/dbraw/zinc/47/00/78/904470078.db2.gz YWDRGAYIGNBAFY-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001282403921 904470083 /nfs/dbraw/zinc/47/00/83/904470083.db2.gz YWDRGAYIGNBAFY-WDEREUQCSA-N 1 2 287.791 0.702 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)CC(C)C ZINC001282410967 904470327 /nfs/dbraw/zinc/47/03/27/904470327.db2.gz GVAGCEZKOMJNDG-GFCCVEGCSA-N 1 2 288.413 0.127 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)CC(C)C ZINC001282410967 904470335 /nfs/dbraw/zinc/47/03/35/904470335.db2.gz GVAGCEZKOMJNDG-GFCCVEGCSA-N 1 2 288.413 0.127 20 30 CCEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)CC)C1 ZINC001282742497 904537175 /nfs/dbraw/zinc/53/71/75/904537175.db2.gz ZSVSIBYYZFCXGI-LLVKDONJSA-N 1 2 288.413 0.434 20 30 CCEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CCCF ZINC001282821238 904547093 /nfs/dbraw/zinc/54/70/93/904547093.db2.gz HPXBLJRZRIWIIC-LLVKDONJSA-N 1 2 298.362 0.202 20 30 CCEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CCCF ZINC001282821238 904547103 /nfs/dbraw/zinc/54/71/03/904547103.db2.gz HPXBLJRZRIWIIC-LLVKDONJSA-N 1 2 298.362 0.202 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCOCC[NH2+]Cc1csnn1 ZINC001284854382 905443635 /nfs/dbraw/zinc/44/36/35/905443635.db2.gz GVMQJRHYYPWFIN-SNVBAGLBSA-N 1 2 297.384 0.262 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001284910152 905484393 /nfs/dbraw/zinc/48/43/93/905484393.db2.gz LSUQAAYKNAKMCF-NSHDSACASA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCC(=O)N1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001284910152 905484400 /nfs/dbraw/zinc/48/44/00/905484400.db2.gz LSUQAAYKNAKMCF-NSHDSACASA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001284917619 905486273 /nfs/dbraw/zinc/48/62/73/905486273.db2.gz KSNIAHYFTQDTMH-UHFFFAOYSA-N 1 2 276.340 0.566 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001379086287 905988852 /nfs/dbraw/zinc/98/88/52/905988852.db2.gz VRIWXWPCJGGGKX-SECBINFHSA-N 1 2 275.780 0.641 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001379086287 905988866 /nfs/dbraw/zinc/98/88/66/905988866.db2.gz VRIWXWPCJGGGKX-SECBINFHSA-N 1 2 275.780 0.641 20 30 CCEDLO CCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001379113746 906001697 /nfs/dbraw/zinc/00/16/97/906001697.db2.gz ZTWKHLGSOGCNDX-UWVGGRQHSA-N 1 2 279.344 0.728 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001293399735 906471191 /nfs/dbraw/zinc/47/11/91/906471191.db2.gz CQNHWGPSWZOVIX-SNVBAGLBSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@H](C#N)C(=O)NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001293399735 906471202 /nfs/dbraw/zinc/47/12/02/906471202.db2.gz CQNHWGPSWZOVIX-SNVBAGLBSA-N 1 2 277.328 0.124 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379761287 906472921 /nfs/dbraw/zinc/47/29/21/906472921.db2.gz IJPDGXLFNPADIU-YGRLFVJLSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001295193972 906694292 /nfs/dbraw/zinc/69/42/92/906694292.db2.gz UNYRBBCEGKYFJO-TXEJJXNPSA-N 1 2 288.351 0.519 20 30 CCEDLO C=CCCC(=O)NCCN(CC)C(=O)Cc1c[nH+]cn1C ZINC001296276283 906891060 /nfs/dbraw/zinc/89/10/60/906891060.db2.gz LJNRJUFMYDXLFX-UHFFFAOYSA-N 1 2 292.383 0.894 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001337664926 921282131 /nfs/dbraw/zinc/28/21/31/921282131.db2.gz BPNTYVIIPHEOTP-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001337664926 921282133 /nfs/dbraw/zinc/28/21/33/921282133.db2.gz BPNTYVIIPHEOTP-ZIAGYGMSSA-N 1 2 279.384 0.762 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC001297390021 907071043 /nfs/dbraw/zinc/07/10/43/907071043.db2.gz SVNYEHBCPSGUIJ-ZDUSSCGKSA-N 1 2 290.367 0.698 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)CC ZINC001381506140 907255036 /nfs/dbraw/zinc/25/50/36/907255036.db2.gz YWNXKYGOHXIOII-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)CC ZINC001381506140 907255047 /nfs/dbraw/zinc/25/50/47/907255047.db2.gz YWNXKYGOHXIOII-JTQLQIEISA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001381537020 907273982 /nfs/dbraw/zinc/27/39/82/907273982.db2.gz YFXKRYUOGDXOQG-WDEREUQCSA-N 1 2 287.791 0.654 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001381537020 907273999 /nfs/dbraw/zinc/27/39/99/907273999.db2.gz YFXKRYUOGDXOQG-WDEREUQCSA-N 1 2 287.791 0.654 20 30 CCEDLO CCc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001382052572 907514828 /nfs/dbraw/zinc/51/48/28/907514828.db2.gz ASXNXNHUZLAUCE-UWVGGRQHSA-N 1 2 279.344 0.728 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001317241226 907995217 /nfs/dbraw/zinc/99/52/17/907995217.db2.gz LAXLLHPIDWQRMZ-MNOVXSKESA-N 1 2 294.355 0.573 20 30 CCEDLO C[N@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccccc1C#N ZINC001316833262 908111666 /nfs/dbraw/zinc/11/16/66/908111666.db2.gz SRLHAWMGKNHFOT-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[N@@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccccc1C#N ZINC001316833262 908111672 /nfs/dbraw/zinc/11/16/72/908111672.db2.gz SRLHAWMGKNHFOT-UHFFFAOYSA-N 1 2 298.350 0.928 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001384416976 908226363 /nfs/dbraw/zinc/22/63/63/908226363.db2.gz RWMGPHDNBCPONX-MNOVXSKESA-N 1 2 289.339 0.171 20 30 CCEDLO C=CC[N@H+](CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001307537782 908321011 /nfs/dbraw/zinc/32/10/11/908321011.db2.gz JPBAETFINQIDJW-GFCCVEGCSA-N 1 2 269.370 0.627 20 30 CCEDLO C=CC[N@@H+](CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001307537782 908321021 /nfs/dbraw/zinc/32/10/21/908321021.db2.gz JPBAETFINQIDJW-GFCCVEGCSA-N 1 2 269.370 0.627 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001316978519 908711020 /nfs/dbraw/zinc/71/10/20/908711020.db2.gz YWJNWZUJHCPVMO-QWHCGFSZSA-N 1 2 291.351 0.712 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001316978519 908711033 /nfs/dbraw/zinc/71/10/33/908711033.db2.gz YWJNWZUJHCPVMO-QWHCGFSZSA-N 1 2 291.351 0.712 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001316965349 908874296 /nfs/dbraw/zinc/87/42/96/908874296.db2.gz XHAKEJSNMIKAGM-AWEZNQCLSA-N 1 2 290.411 0.824 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001316968314 908883908 /nfs/dbraw/zinc/88/39/08/908883908.db2.gz CSFSZQHTIBDKQG-SNVBAGLBSA-N 1 2 259.737 0.066 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001316968314 908883918 /nfs/dbraw/zinc/88/39/18/908883918.db2.gz CSFSZQHTIBDKQG-SNVBAGLBSA-N 1 2 259.737 0.066 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001317439149 909197994 /nfs/dbraw/zinc/19/79/94/909197994.db2.gz NHWRDGNGEHLYQZ-SNVBAGLBSA-N 1 2 262.737 0.202 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001317439149 909198004 /nfs/dbraw/zinc/19/80/04/909198004.db2.gz NHWRDGNGEHLYQZ-SNVBAGLBSA-N 1 2 262.737 0.202 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001317464803 909243215 /nfs/dbraw/zinc/24/32/15/909243215.db2.gz AEGDPGWWLFILRN-CYBMUJFWSA-N 1 2 293.411 0.610 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001317464803 909243226 /nfs/dbraw/zinc/24/32/26/909243226.db2.gz AEGDPGWWLFILRN-CYBMUJFWSA-N 1 2 293.411 0.610 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)S(C)(=O)=O ZINC001317503852 909271082 /nfs/dbraw/zinc/27/10/82/909271082.db2.gz TVVLJGMEAXNJBT-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)S(C)(=O)=O ZINC001317503852 909271095 /nfs/dbraw/zinc/27/10/95/909271095.db2.gz TVVLJGMEAXNJBT-NWDGAFQWSA-N 1 2 288.413 0.576 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001317572607 909360383 /nfs/dbraw/zinc/36/03/83/909360383.db2.gz HLCWQXIMUDFYFK-IUCAKERBSA-N 1 2 265.317 0.647 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CCOC2)CC1 ZINC001317816520 909511845 /nfs/dbraw/zinc/51/18/45/909511845.db2.gz IAYRYEKNUMIJTP-HNNXBMFYSA-N 1 2 293.411 0.122 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001317926808 909544473 /nfs/dbraw/zinc/54/44/73/909544473.db2.gz SSZVJWDCRFYFPA-QWGHSUKYSA-N 1 2 277.368 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001317926808 909544481 /nfs/dbraw/zinc/54/44/81/909544481.db2.gz SSZVJWDCRFYFPA-QWGHSUKYSA-N 1 2 277.368 0.283 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCN(CC#N)C1 ZINC001317992079 909560777 /nfs/dbraw/zinc/56/07/77/909560777.db2.gz SJHQPKNAUAQLEU-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H](OC)C2CC2)C1 ZINC001318020623 909583715 /nfs/dbraw/zinc/58/37/15/909583715.db2.gz WPMKUXBSMOJSNE-ZDUSSCGKSA-N 1 2 268.357 0.414 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(=O)CC(C)C ZINC001318232918 909667608 /nfs/dbraw/zinc/66/76/08/909667608.db2.gz NYJAAEWUEJJAAF-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(=O)CC(C)C ZINC001318232918 909667620 /nfs/dbraw/zinc/66/76/20/909667620.db2.gz NYJAAEWUEJJAAF-KBPBESRZSA-N 1 2 291.395 0.457 20 30 CCEDLO N#Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC001413846702 909822957 /nfs/dbraw/zinc/82/29/57/909822957.db2.gz GWXYMBKCQLFFBY-LBPRGKRZSA-N 1 2 288.326 0.427 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)[C@@H](O)CC)n2C)CC1 ZINC001338696489 921546684 /nfs/dbraw/zinc/54/66/84/921546684.db2.gz KLDODZDZTKMUIN-STQMWFEESA-N 1 2 291.399 0.445 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001319320674 910096499 /nfs/dbraw/zinc/09/64/99/910096499.db2.gz XYYMYGRBRHAREQ-QWHCGFSZSA-N 1 2 270.373 0.398 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001319320674 910096511 /nfs/dbraw/zinc/09/65/11/910096511.db2.gz XYYMYGRBRHAREQ-QWHCGFSZSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1ccoc1 ZINC001319991315 910404423 /nfs/dbraw/zinc/40/44/23/910404423.db2.gz IWUKWXBAWHCNJV-UHFFFAOYSA-N 1 2 293.367 0.515 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cc1ccoc1 ZINC001319991315 910404438 /nfs/dbraw/zinc/40/44/38/910404438.db2.gz IWUKWXBAWHCNJV-UHFFFAOYSA-N 1 2 293.367 0.515 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCOC1 ZINC001320066023 910443462 /nfs/dbraw/zinc/44/34/62/910443462.db2.gz CFHCRIAJPOCSEC-OAHLLOKOSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCOC1 ZINC001320066023 910443478 /nfs/dbraw/zinc/44/34/78/910443478.db2.gz CFHCRIAJPOCSEC-OAHLLOKOSA-N 1 2 297.399 0.105 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCO[C@@H]1C ZINC001320067805 910446261 /nfs/dbraw/zinc/44/62/61/910446261.db2.gz VSXFXHMQYGYICO-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCO[C@@H]1C ZINC001320067805 910446267 /nfs/dbraw/zinc/44/62/67/910446267.db2.gz VSXFXHMQYGYICO-OLZOCXBDSA-N 1 2 297.399 0.104 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1nncs1)CC1CC1 ZINC001320135291 910479474 /nfs/dbraw/zinc/47/94/74/910479474.db2.gz LSKMHGDFXXRTDP-UHFFFAOYSA-N 1 2 250.327 0.822 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1nncs1)CC1CC1 ZINC001320135291 910479459 /nfs/dbraw/zinc/47/94/59/910479459.db2.gz LSKMHGDFXXRTDP-UHFFFAOYSA-N 1 2 250.327 0.822 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001320260985 910563230 /nfs/dbraw/zinc/56/32/30/910563230.db2.gz WEYUCRVUKVALIC-GXSJLCMTSA-N 1 2 296.371 0.718 20 30 CCEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001320313930 910604152 /nfs/dbraw/zinc/60/41/52/910604152.db2.gz SDFRQVWVNHFAJF-UONOGXRCSA-N 1 2 297.399 0.694 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001391171105 910940746 /nfs/dbraw/zinc/94/07/46/910940746.db2.gz YHGZXASYDCKLET-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001391171105 910940764 /nfs/dbraw/zinc/94/07/64/910940764.db2.gz YHGZXASYDCKLET-NSHDSACASA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001391398767 911098063 /nfs/dbraw/zinc/09/80/63/911098063.db2.gz ANTDUAYDFORGDH-NSHDSACASA-N 1 2 298.778 0.396 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001391398767 911098082 /nfs/dbraw/zinc/09/80/82/911098082.db2.gz ANTDUAYDFORGDH-NSHDSACASA-N 1 2 298.778 0.396 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)on1 ZINC001391613771 911264870 /nfs/dbraw/zinc/26/48/70/911264870.db2.gz MZLBPLKFPOVMSR-GHMZBOCLSA-N 1 2 292.339 0.876 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)on1 ZINC001391613771 911264887 /nfs/dbraw/zinc/26/48/87/911264887.db2.gz MZLBPLKFPOVMSR-GHMZBOCLSA-N 1 2 292.339 0.876 20 30 CCEDLO C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C#CC1CC1 ZINC001321841498 911521669 /nfs/dbraw/zinc/52/16/69/911521669.db2.gz BIWJGRCVUJUOCD-VIFPVBQESA-N 1 2 264.354 0.546 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001323176371 912155099 /nfs/dbraw/zinc/15/50/99/912155099.db2.gz CUWJTGQIVGAZPM-CHWSQXEVSA-N 1 2 279.384 0.834 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001323176371 912155103 /nfs/dbraw/zinc/15/51/03/912155103.db2.gz CUWJTGQIVGAZPM-CHWSQXEVSA-N 1 2 279.384 0.834 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001417943066 921726281 /nfs/dbraw/zinc/72/62/81/921726281.db2.gz AMYJQPVDPJWVGS-VXGBXAGGSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001417943066 921726288 /nfs/dbraw/zinc/72/62/88/921726288.db2.gz AMYJQPVDPJWVGS-VXGBXAGGSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnnn1C ZINC001399688365 915322237 /nfs/dbraw/zinc/32/22/37/915322237.db2.gz HUJQNWMPXBIXJF-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnnn1C ZINC001399688365 915322258 /nfs/dbraw/zinc/32/22/58/915322258.db2.gz HUJQNWMPXBIXJF-UHFFFAOYSA-N 1 2 271.752 0.619 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(N)=O ZINC001328763373 915417156 /nfs/dbraw/zinc/41/71/56/915417156.db2.gz CAWKFBWCGDBMQF-SECBINFHSA-N 1 2 259.737 0.147 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(N)=O ZINC001328763373 915417172 /nfs/dbraw/zinc/41/71/72/915417172.db2.gz CAWKFBWCGDBMQF-SECBINFHSA-N 1 2 259.737 0.147 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439670 915917418 /nfs/dbraw/zinc/91/74/18/915917418.db2.gz BAFGAWCCNJANQS-VHSXEESVSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439670 915917431 /nfs/dbraw/zinc/91/74/31/915917431.db2.gz BAFGAWCCNJANQS-VHSXEESVSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001329439670 915917445 /nfs/dbraw/zinc/91/74/45/915917445.db2.gz BAFGAWCCNJANQS-VHSXEESVSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001329439670 915917461 /nfs/dbraw/zinc/91/74/61/915917461.db2.gz BAFGAWCCNJANQS-VHSXEESVSA-N 1 2 298.280 0.973 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001329683255 916122151 /nfs/dbraw/zinc/12/21/51/916122151.db2.gz ZGKQQIOTDOFVLV-LBPRGKRZSA-N 1 2 284.400 0.523 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](OC)C2CCC2)C1 ZINC001329682771 916123664 /nfs/dbraw/zinc/12/36/64/916123664.db2.gz VSCJMXZXOGQDBE-CQSZACIVSA-N 1 2 296.411 0.931 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C=C(C)C)C1 ZINC001329954355 916310843 /nfs/dbraw/zinc/31/08/43/916310843.db2.gz VCAAQXBANOREOI-LBPRGKRZSA-N 1 2 277.368 0.139 20 30 CCEDLO C#CC[NH+]1CC([C@H](C)NC(=O)Cn2cncc2C)C1 ZINC001330014867 916357115 /nfs/dbraw/zinc/35/71/15/916357115.db2.gz ZFFSZQWKJWPIJK-LBPRGKRZSA-N 1 2 260.341 0.261 20 30 CCEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H](C)COC ZINC001330464026 916646315 /nfs/dbraw/zinc/64/63/15/916646315.db2.gz VVXVFHLDMOFTQG-ZDUSSCGKSA-N 1 2 297.399 0.200 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnn(C)n2)CC1 ZINC001402076533 916792989 /nfs/dbraw/zinc/79/29/89/916792989.db2.gz MYHJPOQRGCOMKO-LLVKDONJSA-N 1 2 290.371 0.445 20 30 CCEDLO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001402529740 917077885 /nfs/dbraw/zinc/07/78/85/917077885.db2.gz WEVAFFBEVDOKQF-LBPRGKRZSA-N 1 2 298.774 0.453 20 30 CCEDLO C=CC[N@H+](CN1C[C@@H]2CCO[C@@H]2C1=O)[C@H](C)COC ZINC001331472588 917354178 /nfs/dbraw/zinc/35/41/78/917354178.db2.gz BUCDKKKNXDRRKB-AGIUHOORSA-N 1 2 268.357 0.714 20 30 CCEDLO C=CC[N@@H+](CN1C[C@@H]2CCO[C@@H]2C1=O)[C@H](C)COC ZINC001331472588 917354192 /nfs/dbraw/zinc/35/41/92/917354192.db2.gz BUCDKKKNXDRRKB-AGIUHOORSA-N 1 2 268.357 0.714 20 30 CCEDLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C#N)CCCOC1 ZINC001331937430 917730898 /nfs/dbraw/zinc/73/08/98/917730898.db2.gz LMNCJXUGWDFUFC-ZDUSSCGKSA-N 1 2 262.313 0.399 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001403657863 917897627 /nfs/dbraw/zinc/89/76/27/917897627.db2.gz LFZLERXPRPJSKK-UHFFFAOYSA-N 1 2 272.736 0.540 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001403657863 917897639 /nfs/dbraw/zinc/89/76/39/917897639.db2.gz LFZLERXPRPJSKK-UHFFFAOYSA-N 1 2 272.736 0.540 20 30 CCEDLO CC(C)(C)[C@H](CNCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332876679 918504327 /nfs/dbraw/zinc/50/43/27/918504327.db2.gz SJWDJQBXWPHVGC-JTQLQIEISA-N 1 2 263.345 0.596 20 30 CCEDLO N#C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCOC1 ZINC001333396773 918863923 /nfs/dbraw/zinc/86/39/23/918863923.db2.gz BJKJLYKGWSEXIH-ZWNOBZJWSA-N 1 2 260.297 0.764 20 30 CCEDLO COC1(OC)CC[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1O ZINC001333691780 919105569 /nfs/dbraw/zinc/10/55/69/919105569.db2.gz RATCLIGSSPUFAJ-VXGBXAGGSA-N 1 2 267.329 0.486 20 30 CCEDLO COC1(OC)CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1O ZINC001333691780 919105591 /nfs/dbraw/zinc/10/55/91/919105591.db2.gz RATCLIGSSPUFAJ-VXGBXAGGSA-N 1 2 267.329 0.486 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001406583041 919362702 /nfs/dbraw/zinc/36/27/02/919362702.db2.gz NWZCENQGKGCUEM-SECBINFHSA-N 1 2 277.752 0.531 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001406583041 919362714 /nfs/dbraw/zinc/36/27/14/919362714.db2.gz NWZCENQGKGCUEM-SECBINFHSA-N 1 2 277.752 0.531 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407781174 919886274 /nfs/dbraw/zinc/88/62/74/919886274.db2.gz QBKLXQOKIVBRDV-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407781174 919886286 /nfs/dbraw/zinc/88/62/86/919886286.db2.gz QBKLXQOKIVBRDV-JQWIXIFHSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408498477 920205788 /nfs/dbraw/zinc/20/57/88/920205788.db2.gz ZRSSHSSULXISGE-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@H](c1ncon1)C(C)C ZINC001335501990 920239954 /nfs/dbraw/zinc/23/99/54/920239954.db2.gz WULIHLXFYRLDFM-NSHDSACASA-N 1 2 250.302 0.496 20 30 CCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C[C@H](O)CC#N ZINC001335966873 920532078 /nfs/dbraw/zinc/53/20/78/920532078.db2.gz LGRXUQYVFSMJJY-GFCCVEGCSA-N 1 2 255.362 0.304 20 30 CCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C[C@H](O)CC#N ZINC001335966873 920532091 /nfs/dbraw/zinc/53/20/91/920532091.db2.gz LGRXUQYVFSMJJY-GFCCVEGCSA-N 1 2 255.362 0.304 20 30 CCEDLO C=CC1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001340043428 921926862 /nfs/dbraw/zinc/92/68/62/921926862.db2.gz IMDUPWDKOBVYEW-OLZOCXBDSA-N 1 2 291.399 0.955 20 30 CCEDLO C=CC1CCN(c2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001340043428 921926878 /nfs/dbraw/zinc/92/68/78/921926878.db2.gz IMDUPWDKOBVYEW-OLZOCXBDSA-N 1 2 291.399 0.955 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1nnc(C)o1 ZINC001418456390 922140574 /nfs/dbraw/zinc/14/05/74/922140574.db2.gz SEQLEETXJPGEPP-UHFFFAOYSA-N 1 2 272.736 0.721 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1nnc(C)o1 ZINC001418456390 922140586 /nfs/dbraw/zinc/14/05/86/922140586.db2.gz SEQLEETXJPGEPP-UHFFFAOYSA-N 1 2 272.736 0.721 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001340972259 922299480 /nfs/dbraw/zinc/29/94/80/922299480.db2.gz KEQGZIZJJUHBHA-ZWNOBZJWSA-N 1 2 262.313 0.490 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001419026319 922578830 /nfs/dbraw/zinc/57/88/30/922578830.db2.gz CKXRKTFKSLHCQF-AWEZNQCLSA-N 1 2 299.802 0.703 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+](Cc2cnon2)C1 ZINC001421285718 924255274 /nfs/dbraw/zinc/25/52/74/924255274.db2.gz YAYSIECAICUSJJ-FZMZJTMJSA-N 1 2 291.355 0.948 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cnon2)C1 ZINC001421285718 924255289 /nfs/dbraw/zinc/25/52/89/924255289.db2.gz YAYSIECAICUSJJ-FZMZJTMJSA-N 1 2 291.355 0.948 20 30 CCEDLO COCC#CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001347764998 924532631 /nfs/dbraw/zinc/53/26/31/924532631.db2.gz XLDCKAWHBNGFQY-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO COCC#CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001347764998 924532639 /nfs/dbraw/zinc/53/26/39/924532639.db2.gz XLDCKAWHBNGFQY-UHFFFAOYSA-N 1 2 268.357 0.205 20 30 CCEDLO C=CCn1cc(C(=O)NCCc2[nH+]ccn2C)nn1 ZINC001349296678 924925746 /nfs/dbraw/zinc/92/57/46/924925746.db2.gz GIUGBUBJULRVBA-UHFFFAOYSA-N 1 2 260.301 0.170 20 30 CCEDLO C=CCn1nnnc1N1CCN(C)c2[nH+]cccc21 ZINC001351010547 925337015 /nfs/dbraw/zinc/33/70/15/925337015.db2.gz KGBPFQKPPPTGSZ-UHFFFAOYSA-N 1 2 257.301 0.842 20 30 CCEDLO N#CCN1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001480324236 925603791 /nfs/dbraw/zinc/60/37/91/925603791.db2.gz PTGONKXXQBBNTI-CYBMUJFWSA-N 1 2 275.356 0.767 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001480452624 925751204 /nfs/dbraw/zinc/75/12/04/925751204.db2.gz NSQTZTXPMUVPJV-YGRLFVJLSA-N 1 2 296.371 0.553 20 30 CCEDLO C#CCN(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001356500803 926394213 /nfs/dbraw/zinc/39/42/13/926394213.db2.gz FUTBVIJNULXNCJ-LBPRGKRZSA-N 1 2 277.372 0.324 20 30 CCEDLO C#CCN(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001356500803 926394221 /nfs/dbraw/zinc/39/42/21/926394221.db2.gz FUTBVIJNULXNCJ-LBPRGKRZSA-N 1 2 277.372 0.324 20 30 CCEDLO Cc1[nH+]c[nH]c1CNC(=O)CNc1ccc(C#N)cn1 ZINC001362016812 927524793 /nfs/dbraw/zinc/52/47/93/927524793.db2.gz LRGKAHBHDKNSPU-UHFFFAOYSA-N 1 2 270.296 0.713 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nccnc1N ZINC001424918775 928346964 /nfs/dbraw/zinc/34/69/64/928346964.db2.gz FVLVZGOEQJXBGZ-SECBINFHSA-N 1 2 283.763 0.861 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nccnc1N ZINC001424918775 928346978 /nfs/dbraw/zinc/34/69/78/928346978.db2.gz FVLVZGOEQJXBGZ-SECBINFHSA-N 1 2 283.763 0.861 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001363662493 929464333 /nfs/dbraw/zinc/46/43/33/929464333.db2.gz VWJYAHAHNAAJGQ-ZDUSSCGKSA-N 1 2 270.292 0.615 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001363662493 929464339 /nfs/dbraw/zinc/46/43/39/929464339.db2.gz VWJYAHAHNAAJGQ-ZDUSSCGKSA-N 1 2 270.292 0.615 20 30 CCEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC001363785109 929571380 /nfs/dbraw/zinc/57/13/80/929571380.db2.gz GFOWQTWXUDTUEY-JTQLQIEISA-N 1 2 281.312 0.216 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001443537476 929639515 /nfs/dbraw/zinc/63/95/15/929639515.db2.gz OSHIUQZQYLFKDK-DCAQKATOSA-N 1 2 289.339 0.123 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(C)=O ZINC001372495749 929855415 /nfs/dbraw/zinc/85/54/15/929855415.db2.gz XBBLMGVDKXHGMW-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(C)=O ZINC001372495749 929855421 /nfs/dbraw/zinc/85/54/21/929855421.db2.gz XBBLMGVDKXHGMW-CMPLNLGQSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001373371912 930159633 /nfs/dbraw/zinc/15/96/33/930159633.db2.gz GNAZAZGZPKNHDI-SNVBAGLBSA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001373371912 930159639 /nfs/dbraw/zinc/15/96/39/930159639.db2.gz GNAZAZGZPKNHDI-SNVBAGLBSA-N 1 2 288.779 0.249 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001445778895 930247414 /nfs/dbraw/zinc/24/74/14/930247414.db2.gz DLFPBBQQLZZBDV-WDEREUQCSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001445778895 930247428 /nfs/dbraw/zinc/24/74/28/930247428.db2.gz DLFPBBQQLZZBDV-WDEREUQCSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001445869558 930276310 /nfs/dbraw/zinc/27/63/10/930276310.db2.gz ZLSNLPUPHGJHQM-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001445869558 930276316 /nfs/dbraw/zinc/27/63/16/930276316.db2.gz ZLSNLPUPHGJHQM-SECBINFHSA-N 1 2 276.768 0.234 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687085 930300399 /nfs/dbraw/zinc/30/03/99/930300399.db2.gz BCWXPFSSGNABPH-SNVBAGLBSA-N 1 2 288.779 0.330 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001373687085 930300409 /nfs/dbraw/zinc/30/04/09/930300409.db2.gz BCWXPFSSGNABPH-SNVBAGLBSA-N 1 2 288.779 0.330 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001446157703 930349174 /nfs/dbraw/zinc/34/91/74/930349174.db2.gz GYJKCUSNAZVXQR-IUCAKERBSA-N 1 2 277.328 0.837 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001446157698 930354656 /nfs/dbraw/zinc/35/46/56/930354656.db2.gz GYJKCUSNAZVXQR-BDAKNGLRSA-N 1 2 277.328 0.837 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001446751095 930473668 /nfs/dbraw/zinc/47/36/68/930473668.db2.gz YTRBWULYVHNESI-GWCFXTLKSA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001446751095 930473673 /nfs/dbraw/zinc/47/36/73/930473673.db2.gz YTRBWULYVHNESI-GWCFXTLKSA-N 1 2 294.380 0.356 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377130006 931395218 /nfs/dbraw/zinc/39/52/18/931395218.db2.gz NIGHZRNDMYMXHH-NWDGAFQWSA-N 1 2 282.388 0.499 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377130006 931395223 /nfs/dbraw/zinc/39/52/23/931395223.db2.gz NIGHZRNDMYMXHH-NWDGAFQWSA-N 1 2 282.388 0.499 20 30 CCEDLO CCN(C)C(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001377139433 931400327 /nfs/dbraw/zinc/40/03/27/931400327.db2.gz LEWZICZNOGUCPE-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO CCN(C)C(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001377139433 931400335 /nfs/dbraw/zinc/40/03/35/931400335.db2.gz LEWZICZNOGUCPE-UHFFFAOYSA-N 1 2 291.355 0.026 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599643905 361769253 /nfs/dbraw/zinc/76/92/53/361769253.db2.gz WPPHBHXGEMAUIK-NEPJUHHUSA-N 1 2 271.336 0.807 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599643905 361769257 /nfs/dbraw/zinc/76/92/57/361769257.db2.gz WPPHBHXGEMAUIK-NEPJUHHUSA-N 1 2 271.336 0.807 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666521 361778674 /nfs/dbraw/zinc/77/86/74/361778674.db2.gz XWRNXULLHULKKU-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666521 361778679 /nfs/dbraw/zinc/77/86/79/361778679.db2.gz XWRNXULLHULKKU-ZDUSSCGKSA-N 1 2 289.335 0.643 20 30 CCEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC000599686776 361786176 /nfs/dbraw/zinc/78/61/76/361786176.db2.gz YMXJURQEVAYPAJ-UHFFFAOYSA-N 1 2 272.308 0.306 20 30 CCEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NC(N)=O)C2 ZINC000599686776 361786177 /nfs/dbraw/zinc/78/61/77/361786177.db2.gz YMXJURQEVAYPAJ-UHFFFAOYSA-N 1 2 272.308 0.306 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000109833102 349755538 /nfs/dbraw/zinc/75/55/38/349755538.db2.gz XNKRLBXEDNATOT-LLVKDONJSA-N 1 2 269.345 0.489 20 30 CCEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000109833102 349755541 /nfs/dbraw/zinc/75/55/41/349755541.db2.gz XNKRLBXEDNATOT-LLVKDONJSA-N 1 2 269.345 0.489 20 30 CCEDLO N#Cc1cccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000600972610 362108539 /nfs/dbraw/zinc/10/85/39/362108539.db2.gz LLKVOARWPLOWRG-CQSZACIVSA-N 1 2 269.308 0.859 20 30 CCEDLO Cn1cc[nH+]c1CNc1cc(C#N)nc(C2CC2)n1 ZINC000601113876 362151812 /nfs/dbraw/zinc/15/18/12/362151812.db2.gz IDTCMVBEALEAID-UHFFFAOYSA-N 1 2 254.297 0.993 20 30 CCEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC#N)C1 ZINC000332187533 529788408 /nfs/dbraw/zinc/78/84/08/529788408.db2.gz YIGPKSPLURQLQL-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC#N)C1 ZINC000332187533 529788409 /nfs/dbraw/zinc/78/84/09/529788409.db2.gz YIGPKSPLURQLQL-LBPRGKRZSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC000332231641 529791150 /nfs/dbraw/zinc/79/11/50/529791150.db2.gz MGXJWPUTDTUDAK-CABCVRRESA-N 1 2 285.347 0.908 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@H]21 ZINC000332231641 529791151 /nfs/dbraw/zinc/79/11/51/529791151.db2.gz MGXJWPUTDTUDAK-CABCVRRESA-N 1 2 285.347 0.908 20 30 CCEDLO CN1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1=O ZINC000330199115 529827666 /nfs/dbraw/zinc/82/76/66/529827666.db2.gz UXLPSWSDJPHGBE-GHMZBOCLSA-N 1 2 291.355 0.322 20 30 CCEDLO CN1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCC1=O ZINC000330199115 529827668 /nfs/dbraw/zinc/82/76/68/529827668.db2.gz UXLPSWSDJPHGBE-GHMZBOCLSA-N 1 2 291.355 0.322 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OC ZINC000601782028 362391035 /nfs/dbraw/zinc/39/10/35/362391035.db2.gz MZTXCGXRDMFKRT-SNVBAGLBSA-N 1 2 251.286 0.507 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1C(N)=O ZINC000601966022 362440658 /nfs/dbraw/zinc/44/06/58/362440658.db2.gz XAQHAJVAWSPACW-NSHDSACASA-N 1 2 295.314 0.510 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1C(N)=O ZINC000601966022 362440662 /nfs/dbraw/zinc/44/06/62/362440662.db2.gz XAQHAJVAWSPACW-NSHDSACASA-N 1 2 295.314 0.510 20 30 CCEDLO C[C@H](CC(=O)N1CCN(CCC#N)CC1)n1cc[nH+]c1 ZINC000602199655 362553794 /nfs/dbraw/zinc/55/37/94/362553794.db2.gz DDGGQRMAKOSKPR-CYBMUJFWSA-N 1 2 275.356 0.892 20 30 CCEDLO CCc1c[nH]c(CC(=O)N2CCN(CCC#N)CC2)[nH+]1 ZINC000602199328 362553961 /nfs/dbraw/zinc/55/39/61/362553961.db2.gz UVXHHPVTEHWWFF-UHFFFAOYSA-N 1 2 275.356 0.572 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C#N)CO)cc1 ZINC000602158212 362532925 /nfs/dbraw/zinc/53/29/25/362532925.db2.gz KZVUXNQYCUHBMU-OCCSQVGLSA-N 1 2 289.335 0.270 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C#N)CO)cc1 ZINC000602158212 362532929 /nfs/dbraw/zinc/53/29/29/362532929.db2.gz KZVUXNQYCUHBMU-OCCSQVGLSA-N 1 2 289.335 0.270 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CCC#N)CC1 ZINC000602207267 362559527 /nfs/dbraw/zinc/55/95/27/362559527.db2.gz UDSKOAXSOXNICI-UHFFFAOYSA-N 1 2 261.329 0.319 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000273249965 192087724 /nfs/dbraw/zinc/08/77/24/192087724.db2.gz AEZNNEDCSFVVJE-UHFFFAOYSA-N 1 2 298.350 0.144 20 30 CCEDLO CCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000602331953 362589364 /nfs/dbraw/zinc/58/93/64/362589364.db2.gz IOJVNUXFXWUYDZ-CYBMUJFWSA-N 1 2 263.345 0.556 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc2ccnn21 ZINC000602336032 362590107 /nfs/dbraw/zinc/59/01/07/362590107.db2.gz WTWWEKCGXAYHIO-ZDUSSCGKSA-N 1 2 272.312 0.303 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cnn2c1CCCC2 ZINC000602333759 362590432 /nfs/dbraw/zinc/59/04/32/362590432.db2.gz PDQMMYKGTZKGPN-HNNXBMFYSA-N 1 2 289.383 0.722 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602429017 362610710 /nfs/dbraw/zinc/61/07/10/362610710.db2.gz BGJJUYRQCOHBFZ-UHFFFAOYSA-N 1 2 299.378 0.373 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602370432 362599244 /nfs/dbraw/zinc/59/92/44/362599244.db2.gz DOBGRLDCYVMSCV-GHMZBOCLSA-N 1 2 254.334 0.118 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602370432 362599248 /nfs/dbraw/zinc/59/92/48/362599248.db2.gz DOBGRLDCYVMSCV-GHMZBOCLSA-N 1 2 254.334 0.118 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602472142 362635396 /nfs/dbraw/zinc/63/53/96/362635396.db2.gz HLVSFQWESKIZIT-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602472142 362635399 /nfs/dbraw/zinc/63/53/99/362635399.db2.gz HLVSFQWESKIZIT-GFCCVEGCSA-N 1 2 280.353 0.077 20 30 CCEDLO CN(CCO)c1ccc(NCc2cccc(C#N)n2)[nH+]c1 ZINC000602567556 362683762 /nfs/dbraw/zinc/68/37/62/362683762.db2.gz FUFXTHQDDCNCBD-UHFFFAOYSA-N 1 2 283.335 0.811 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)n1 ZINC000602685284 362746954 /nfs/dbraw/zinc/74/69/54/362746954.db2.gz FEXQJDSUBIVSOA-LBPRGKRZSA-N 1 2 260.297 0.029 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)n1 ZINC000602685284 362746959 /nfs/dbraw/zinc/74/69/59/362746959.db2.gz FEXQJDSUBIVSOA-LBPRGKRZSA-N 1 2 260.297 0.029 20 30 CCEDLO C=C(C)C[C@@H]([NH2+]C1CCN(CC(=O)OC)CC1)C(=O)OC ZINC000602733692 362774988 /nfs/dbraw/zinc/77/49/88/362774988.db2.gz KZJCPOAAXKETEU-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C=C(C)C[C@@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OC ZINC000602733692 362774995 /nfs/dbraw/zinc/77/49/95/362774995.db2.gz KZJCPOAAXKETEU-CYBMUJFWSA-N 1 2 298.383 0.721 20 30 CCEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccn2)C[C@H](C)N1CC#N ZINC000602847392 362834654 /nfs/dbraw/zinc/83/46/54/362834654.db2.gz BAGMENADKXXFOD-STQMWFEESA-N 1 2 287.367 0.938 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860786 362845708 /nfs/dbraw/zinc/84/57/08/362845708.db2.gz HXZKCGVKJRXEIZ-SCZZXKLOSA-N 1 2 279.296 0.405 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602860786 362845714 /nfs/dbraw/zinc/84/57/14/362845714.db2.gz HXZKCGVKJRXEIZ-SCZZXKLOSA-N 1 2 279.296 0.405 20 30 CCEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602862244 362846441 /nfs/dbraw/zinc/84/64/41/362846441.db2.gz JITLEPROZVEXPW-VXGBXAGGSA-N 1 2 281.356 0.680 20 30 CCEDLO C=CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000027776564 348102498 /nfs/dbraw/zinc/10/24/98/348102498.db2.gz QUTDCDXFCIFODT-UHFFFAOYSA-N 1 2 287.363 0.633 20 30 CCEDLO C=CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000027776564 348102500 /nfs/dbraw/zinc/10/25/00/348102500.db2.gz QUTDCDXFCIFODT-UHFFFAOYSA-N 1 2 287.363 0.633 20 30 CCEDLO C#CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000029657921 348113757 /nfs/dbraw/zinc/11/37/57/348113757.db2.gz FZOYEHNNDJMSDV-UHFFFAOYSA-N 1 2 287.363 0.951 20 30 CCEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026126287 348093046 /nfs/dbraw/zinc/09/30/46/348093046.db2.gz OCUVISOPEPLBMJ-AWEZNQCLSA-N 1 2 280.372 0.238 20 30 CCEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026126287 348093049 /nfs/dbraw/zinc/09/30/49/348093049.db2.gz OCUVISOPEPLBMJ-AWEZNQCLSA-N 1 2 280.372 0.238 20 30 CCEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC000602867968 362850979 /nfs/dbraw/zinc/85/09/79/362850979.db2.gz GENGYMCGUATLLV-PWSUYJOCSA-N 1 2 251.330 0.516 20 30 CCEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000602868935 362853064 /nfs/dbraw/zinc/85/30/64/362853064.db2.gz LBILNONMIXJXEO-IUCAKERBSA-N 1 2 254.334 0.891 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000602947043 362903487 /nfs/dbraw/zinc/90/34/87/362903487.db2.gz WJRIJSHZAIEYTE-WCQYABFASA-N 1 2 255.314 0.289 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000602947043 362903490 /nfs/dbraw/zinc/90/34/90/362903490.db2.gz WJRIJSHZAIEYTE-WCQYABFASA-N 1 2 255.314 0.289 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975247 362918053 /nfs/dbraw/zinc/91/80/53/362918053.db2.gz ZZRQCZVUCQWSEB-ZJUUUORDSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975247 362918056 /nfs/dbraw/zinc/91/80/56/362918056.db2.gz ZZRQCZVUCQWSEB-ZJUUUORDSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977129 362918157 /nfs/dbraw/zinc/91/81/57/362918157.db2.gz YGRIQVYHCFAPPI-DCAQKATOSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977129 362918163 /nfs/dbraw/zinc/91/81/63/362918163.db2.gz YGRIQVYHCFAPPI-DCAQKATOSA-N 1 2 266.345 0.845 20 30 CCEDLO C[N@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976123 362918672 /nfs/dbraw/zinc/91/86/72/362918672.db2.gz LBTJRKXAILGUAP-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976123 362918676 /nfs/dbraw/zinc/91/86/76/362918676.db2.gz LBTJRKXAILGUAP-YPMHNXCESA-N 1 2 265.357 0.906 20 30 CCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000347660048 137348770 /nfs/dbraw/zinc/34/87/70/137348770.db2.gz SACJJMKAFUPXCP-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000347660048 137348771 /nfs/dbraw/zinc/34/87/71/137348771.db2.gz SACJJMKAFUPXCP-GFCCVEGCSA-N 1 2 276.340 0.727 20 30 CCEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)C[C@@H](C)C#N ZINC000060038296 348640697 /nfs/dbraw/zinc/64/06/97/348640697.db2.gz PZCWTVHTBOERBD-LBPRGKRZSA-N 1 2 295.383 0.880 20 30 CCEDLO CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)C[C@@H](C)C#N ZINC000060038296 348640698 /nfs/dbraw/zinc/64/06/98/348640698.db2.gz PZCWTVHTBOERBD-LBPRGKRZSA-N 1 2 295.383 0.880 20 30 CCEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCNC1=O ZINC000072690939 348928806 /nfs/dbraw/zinc/92/88/06/348928806.db2.gz XUAOIWMUKOQALA-UHFFFAOYSA-N 1 2 266.345 0.800 20 30 CCEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCNC1=O ZINC000072690939 348928811 /nfs/dbraw/zinc/92/88/11/348928811.db2.gz XUAOIWMUKOQALA-UHFFFAOYSA-N 1 2 266.345 0.800 20 30 CCEDLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000081292365 349255482 /nfs/dbraw/zinc/25/54/82/349255482.db2.gz WWOLTQANWIVBAA-ZDUSSCGKSA-N 1 2 259.309 0.852 20 30 CCEDLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000081292365 349255488 /nfs/dbraw/zinc/25/54/88/349255488.db2.gz WWOLTQANWIVBAA-ZDUSSCGKSA-N 1 2 259.309 0.852 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)CC1 ZINC000120835585 350008276 /nfs/dbraw/zinc/00/82/76/350008276.db2.gz PNADVHVPHQLJAZ-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)CC1 ZINC000120835585 350008278 /nfs/dbraw/zinc/00/82/78/350008278.db2.gz PNADVHVPHQLJAZ-UHFFFAOYSA-N 1 2 259.309 0.889 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000121218007 350028072 /nfs/dbraw/zinc/02/80/72/350028072.db2.gz RHWCXIKTKDODII-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000121218007 350028076 /nfs/dbraw/zinc/02/80/76/350028076.db2.gz RHWCXIKTKDODII-QMTHXVAHSA-N 1 2 289.335 0.641 20 30 CCEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](CCO)CC1 ZINC000130511968 350239739 /nfs/dbraw/zinc/23/97/39/350239739.db2.gz FAQFJYDBRLCYKN-UHFFFAOYSA-N 1 2 273.336 0.875 20 30 CCEDLO COc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1C#N ZINC000152509649 350531605 /nfs/dbraw/zinc/53/16/05/350531605.db2.gz CVVGJPKPFDYIBD-UHFFFAOYSA-N 1 2 289.335 0.203 20 30 CCEDLO CC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000157845311 350649878 /nfs/dbraw/zinc/64/98/78/350649878.db2.gz KDSPZNGFVFCVTK-UHFFFAOYSA-N 1 2 283.335 0.870 20 30 CCEDLO C[C@@H](CNS(=O)(=O)CCCC#N)C[NH+]1CCOCC1 ZINC000160403116 350699867 /nfs/dbraw/zinc/69/98/67/350699867.db2.gz XROAGCYDRJCDCE-LBPRGKRZSA-N 1 2 289.401 0.178 20 30 CCEDLO N#Cc1ccccc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603174199 362984799 /nfs/dbraw/zinc/98/47/99/362984799.db2.gz QDMCIRXKTGQRIH-CQSZACIVSA-N 1 2 269.308 0.859 20 30 CCEDLO C=CCCC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000171829814 350936380 /nfs/dbraw/zinc/93/63/80/350936380.db2.gz VNMMDNORZKXECU-UHFFFAOYSA-N 1 2 284.356 0.286 20 30 CCEDLO N#Cc1cc(Cn2cc([C@H]3COCC[NH2+]3)nn2)ccc1F ZINC000603198958 362995824 /nfs/dbraw/zinc/99/58/24/362995824.db2.gz HXUWXVCRLMSQLL-CQSZACIVSA-N 1 2 287.298 0.998 20 30 CCEDLO N#Cc1ccc(F)cc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603220045 363006686 /nfs/dbraw/zinc/00/66/86/363006686.db2.gz NQJMFXDEQRHFPK-AWEZNQCLSA-N 1 2 287.298 0.998 20 30 CCEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000115347970 186668281 /nfs/dbraw/zinc/66/82/81/186668281.db2.gz WGXWOYDITIDWIT-UHFFFAOYSA-N 1 2 256.309 0.873 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181275362 351309817 /nfs/dbraw/zinc/30/98/17/351309817.db2.gz AUTZBNJTYHHBPR-UHFFFAOYSA-N 1 2 262.313 0.291 20 30 CCEDLO C#C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000186037089 351472660 /nfs/dbraw/zinc/47/26/60/351472660.db2.gz TWXLWRLKPSQCKY-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO COC(=O)c1cccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC000618540391 366040299 /nfs/dbraw/zinc/04/02/99/366040299.db2.gz AOONEZZKTWYRNU-UHFFFAOYSA-N 1 2 288.351 0.899 20 30 CCEDLO Cc1cc(NC[C@@H](CO)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000603400134 363111588 /nfs/dbraw/zinc/11/15/88/363111588.db2.gz KSGKITBODHFZRJ-ZDUSSCGKSA-N 1 2 285.351 0.680 20 30 CCEDLO C=CCOCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000683991450 545595952 /nfs/dbraw/zinc/59/59/52/545595952.db2.gz DZBYEXJXLWZXGZ-CYBMUJFWSA-N 1 2 285.388 0.551 20 30 CCEDLO C#CC[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265173003 352623984 /nfs/dbraw/zinc/62/39/84/352623984.db2.gz YYWBNYQXGWBRJX-UHFFFAOYSA-N 1 2 263.301 0.392 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000266849723 352726410 /nfs/dbraw/zinc/72/64/10/352726410.db2.gz CKWFNWYCXIPXCR-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266849723 352726411 /nfs/dbraw/zinc/72/64/11/352726411.db2.gz CKWFNWYCXIPXCR-UHFFFAOYSA-N 1 2 286.379 0.940 20 30 CCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncccc1C#N ZINC000267547611 352774079 /nfs/dbraw/zinc/77/40/79/352774079.db2.gz RCFZBTXYYCYGGX-ZDUSSCGKSA-N 1 2 276.340 0.083 20 30 CCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560584 363205531 /nfs/dbraw/zinc/20/55/31/363205531.db2.gz YIGYOVUAJHZUMH-LBPRGKRZSA-N 1 2 299.378 0.742 20 30 CCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)o1 ZINC000286632943 353600841 /nfs/dbraw/zinc/60/08/41/353600841.db2.gz NIYQVBAUVFLJMG-UHFFFAOYSA-N 1 2 280.309 0.705 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2cccc(C#N)c2)c[nH+]1 ZINC000556844283 291012656 /nfs/dbraw/zinc/01/26/56/291012656.db2.gz ZXKQFFNFNUOCBF-UHFFFAOYSA-N 1 2 267.292 0.999 20 30 CCEDLO C#CC[NH+]1CCN(c2ncnc3c2ncn3CC)CC1 ZINC000299656977 354037001 /nfs/dbraw/zinc/03/70/01/354037001.db2.gz WTHYGGDTDJXLIK-UHFFFAOYSA-N 1 2 270.340 0.601 20 30 CCEDLO C#CC[NH+](CC#C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000304337529 354113905 /nfs/dbraw/zinc/11/39/05/354113905.db2.gz XKUREBSFYVQMCS-KFWWJZLASA-N 1 2 264.369 0.025 20 30 CCEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000305313834 354144615 /nfs/dbraw/zinc/14/46/15/354144615.db2.gz MIXPDFBFGQTTEX-LBPRGKRZSA-N 1 2 280.299 0.769 20 30 CCEDLO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000329117360 354252628 /nfs/dbraw/zinc/25/26/28/354252628.db2.gz UMJCFGQKCQNJCP-MGPQQGTHSA-N 1 2 297.399 0.874 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)ccn1 ZINC000330443936 354360387 /nfs/dbraw/zinc/36/03/87/354360387.db2.gz FYIFHXVESSNQNJ-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO N#Cc1cccc(C2([NH2+]Cc3nc(=O)[nH][nH]3)CC2)c1 ZINC000271802428 191337091 /nfs/dbraw/zinc/33/70/91/191337091.db2.gz PIOKRTOXRMOKBG-UHFFFAOYSA-N 1 2 255.281 0.749 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)C1=O ZINC000337179672 355278569 /nfs/dbraw/zinc/27/85/69/355278569.db2.gz ADDSNLDTTUZFJE-HZSPNIEDSA-N 1 2 292.379 0.843 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)C1=O ZINC000337179672 355278576 /nfs/dbraw/zinc/27/85/76/355278576.db2.gz ADDSNLDTTUZFJE-HZSPNIEDSA-N 1 2 292.379 0.843 20 30 CCEDLO Cc1cc(NC2CCN(c3nnnn3C)CC2)c(C#N)c[nH+]1 ZINC000425225723 235274718 /nfs/dbraw/zinc/27/47/18/235274718.db2.gz MROZZAXPHINXTR-UHFFFAOYSA-N 1 2 298.354 0.288 20 30 CCEDLO C[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000352971145 356123206 /nfs/dbraw/zinc/12/32/06/356123206.db2.gz CMRMWJNQXXZUIW-SNVBAGLBSA-N 1 2 269.308 0.526 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484565 363499011 /nfs/dbraw/zinc/49/90/11/363499011.db2.gz ADVZXYNISGFQIM-ZDUSSCGKSA-N 1 2 264.373 0.454 20 30 CCEDLO CCc1cc(NCCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000609585281 363508142 /nfs/dbraw/zinc/50/81/42/363508142.db2.gz SBKXVSDERWPFDN-UHFFFAOYSA-N 1 2 271.328 0.513 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000619719786 366339711 /nfs/dbraw/zinc/33/97/11/366339711.db2.gz DLNNMBMNFFANBB-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000619719786 366339721 /nfs/dbraw/zinc/33/97/21/366339721.db2.gz DLNNMBMNFFANBB-GHMZBOCLSA-N 1 2 252.314 0.411 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000619720028 366341381 /nfs/dbraw/zinc/34/13/81/366341381.db2.gz UQPXPHHEXAENFJ-RYUDHWBXSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000619720028 366341387 /nfs/dbraw/zinc/34/13/87/366341387.db2.gz UQPXPHHEXAENFJ-RYUDHWBXSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2ccccn2)CC1 ZINC000619715933 366332485 /nfs/dbraw/zinc/33/24/85/366332485.db2.gz BNQRHOIZCVVILC-CQSZACIVSA-N 1 2 275.352 0.927 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCOC)CC1 ZINC000619716223 366334679 /nfs/dbraw/zinc/33/46/79/366334679.db2.gz BFKNODZYXJTFGT-ZDUSSCGKSA-N 1 2 298.383 0.579 20 30 CCEDLO CN1C[C@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CCC1=O ZINC000329657721 283224771 /nfs/dbraw/zinc/22/47/71/283224771.db2.gz NAJMBUJLSFAPTJ-SNVBAGLBSA-N 1 2 277.328 0.234 20 30 CCEDLO CN1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC1=O ZINC000329657721 283224773 /nfs/dbraw/zinc/22/47/73/283224773.db2.gz NAJMBUJLSFAPTJ-SNVBAGLBSA-N 1 2 277.328 0.234 20 30 CCEDLO CC(C)(C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394543099 357756227 /nfs/dbraw/zinc/75/62/27/357756227.db2.gz BZVWLTYMUGPOLU-GFCCVEGCSA-N 1 2 265.357 0.859 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000294421077 199033862 /nfs/dbraw/zinc/03/38/62/199033862.db2.gz NGEZSGTXLMUNBF-CQSZACIVSA-N 1 2 287.363 0.764 20 30 CCEDLO C=CCn1cc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)nn1 ZINC000424118449 358209452 /nfs/dbraw/zinc/20/94/52/358209452.db2.gz BQJJUBHRVRFRGJ-AWEZNQCLSA-N 1 2 285.351 0.650 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000610797442 363614481 /nfs/dbraw/zinc/61/44/81/363614481.db2.gz WRBZVYBOFUEUDG-ZDUSSCGKSA-N 1 2 285.351 0.354 20 30 CCEDLO Cc1nc(N2CCN(c3cc(C#N)ncn3)CC2)cc[nH+]1 ZINC000579939475 359063195 /nfs/dbraw/zinc/06/31/95/359063195.db2.gz USXLOQQWPIIQJM-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924379 363631127 /nfs/dbraw/zinc/63/11/27/363631127.db2.gz VHDHAXQVIIJGFH-NSHDSACASA-N 1 2 269.370 0.176 20 30 CCEDLO N#Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c[nH]1 ZINC000586786083 359290371 /nfs/dbraw/zinc/29/03/71/359290371.db2.gz NNSJJKLOIPSBLA-JTQLQIEISA-N 1 2 255.281 0.828 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(O)cc(C#N)c2)CCO1 ZINC000589175215 359364803 /nfs/dbraw/zinc/36/48/03/359364803.db2.gz GRSFPQLDUHXFBY-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(O)cc(C#N)c2)CCO1 ZINC000589175215 359364805 /nfs/dbraw/zinc/36/48/05/359364805.db2.gz GRSFPQLDUHXFBY-NSHDSACASA-N 1 2 289.335 0.714 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(C#N)CCC1 ZINC000589235159 359373155 /nfs/dbraw/zinc/37/31/55/359373155.db2.gz NAOTYXYEXMBLGP-UHFFFAOYSA-N 1 2 268.342 0.533 20 30 CCEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000588870526 359346022 /nfs/dbraw/zinc/34/60/22/359346022.db2.gz KIEUWSORACVFPE-UHFFFAOYSA-N 1 2 291.395 0.741 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)CC2(C#N)CC2)CCO1 ZINC000590201722 359429663 /nfs/dbraw/zinc/42/96/63/359429663.db2.gz NEMKTVJEURDJOB-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)CC2(C#N)CC2)CCO1 ZINC000590201722 359429669 /nfs/dbraw/zinc/42/96/69/359429669.db2.gz NEMKTVJEURDJOB-LLVKDONJSA-N 1 2 251.330 0.517 20 30 CCEDLO C[C@@](C#N)(NC(=O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000590598985 359496400 /nfs/dbraw/zinc/49/64/00/359496400.db2.gz AXNZDQQPZOFNCQ-AWEZNQCLSA-N 1 2 273.340 0.507 20 30 CCEDLO C=CCCOCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000591344412 359579494 /nfs/dbraw/zinc/57/94/94/359579494.db2.gz HQMSLMUPOBXLLX-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO N#CCCCCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000591833098 359663749 /nfs/dbraw/zinc/66/37/49/359663749.db2.gz BKRMFCZPFVYQGN-ZDUSSCGKSA-N 1 2 283.372 0.270 20 30 CCEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccncc1C#N ZINC000592093029 359754373 /nfs/dbraw/zinc/75/43/73/359754373.db2.gz OMEPENFVUXZAJK-UHFFFAOYSA-N 1 2 261.329 0.656 20 30 CCEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccncc1C#N ZINC000592093029 359754378 /nfs/dbraw/zinc/75/43/78/359754378.db2.gz OMEPENFVUXZAJK-UHFFFAOYSA-N 1 2 261.329 0.656 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000592107224 359757490 /nfs/dbraw/zinc/75/74/90/359757490.db2.gz GISHVXHMGYJHIZ-CYBMUJFWSA-N 1 2 254.297 0.992 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000592107224 359757493 /nfs/dbraw/zinc/75/74/93/359757493.db2.gz GISHVXHMGYJHIZ-CYBMUJFWSA-N 1 2 254.297 0.992 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000591987140 359719622 /nfs/dbraw/zinc/71/96/22/359719622.db2.gz WFLFJPUNIJAUHY-OAHLLOKOSA-N 1 2 299.334 0.894 20 30 CCEDLO COC(=O)c1ccoc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146902 359765277 /nfs/dbraw/zinc/76/52/77/359765277.db2.gz GWJSGOHMQHVCOQ-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1ccoc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146902 359765280 /nfs/dbraw/zinc/76/52/80/359765280.db2.gz GWJSGOHMQHVCOQ-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)n(C)n1 ZINC000592146527 359766079 /nfs/dbraw/zinc/76/60/79/359766079.db2.gz JDRUSTJGZYWAPU-CYBMUJFWSA-N 1 2 277.328 0.018 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)n(C)n1 ZINC000592146527 359766084 /nfs/dbraw/zinc/76/60/84/359766084.db2.gz JDRUSTJGZYWAPU-CYBMUJFWSA-N 1 2 277.328 0.018 20 30 CCEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000592149903 359768611 /nfs/dbraw/zinc/76/86/11/359768611.db2.gz ZJSXSPILWBNSOV-OCCSQVGLSA-N 1 2 259.309 0.563 20 30 CCEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000592149903 359768615 /nfs/dbraw/zinc/76/86/15/359768615.db2.gz ZJSXSPILWBNSOV-OCCSQVGLSA-N 1 2 259.309 0.563 20 30 CCEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176093 363672545 /nfs/dbraw/zinc/67/25/45/363672545.db2.gz UEQQBHMRBZLREL-UHFFFAOYSA-N 1 2 295.387 0.142 20 30 CCEDLO Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c(C#N)c1C ZINC000329461539 202346101 /nfs/dbraw/zinc/34/61/01/202346101.db2.gz PUOAPNXGCZTGKG-BETUJISGSA-N 1 2 288.351 0.595 20 30 CCEDLO Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c(C#N)c1C ZINC000329461539 202346104 /nfs/dbraw/zinc/34/61/04/202346104.db2.gz PUOAPNXGCZTGKG-BETUJISGSA-N 1 2 288.351 0.595 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191139 363677651 /nfs/dbraw/zinc/67/76/51/363677651.db2.gz QOAMFOLNKHVPPZ-ZDUSSCGKSA-N 1 2 263.345 0.896 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000592514898 359867948 /nfs/dbraw/zinc/86/79/48/359867948.db2.gz HUONMYUUVHYWMX-LLVKDONJSA-N 1 2 270.296 0.051 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000592514898 359867952 /nfs/dbraw/zinc/86/79/52/359867952.db2.gz HUONMYUUVHYWMX-LLVKDONJSA-N 1 2 270.296 0.051 20 30 CCEDLO CCn1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000593153105 360047634 /nfs/dbraw/zinc/04/76/34/360047634.db2.gz AJSGWYFDLIBYJG-ZDUSSCGKSA-N 1 2 263.345 0.406 20 30 CCEDLO COCCN(CC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593742818 360145455 /nfs/dbraw/zinc/14/54/55/360145455.db2.gz ZMYHMXKBLUIWKG-UHFFFAOYSA-N 1 2 276.340 0.760 20 30 CCEDLO COCCN(CCC#N)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594273456 360267032 /nfs/dbraw/zinc/26/70/32/360267032.db2.gz ORHUGQWERZMGQE-UHFFFAOYSA-N 1 2 253.346 0.717 20 30 CCEDLO C=CCCSCCNC(=O)NCC[NH+]1CCOCC1 ZINC000594683720 360359516 /nfs/dbraw/zinc/35/95/16/360359516.db2.gz ASVJRDUUOVYJHE-UHFFFAOYSA-N 1 2 287.429 0.927 20 30 CCEDLO CC[N@H+](CCC#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595331844 360497902 /nfs/dbraw/zinc/49/79/02/360497902.db2.gz FMUBIBHGQFAVHJ-NSHDSACASA-N 1 2 267.329 0.386 20 30 CCEDLO CC[N@@H+](CCC#N)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595331844 360497904 /nfs/dbraw/zinc/49/79/04/360497904.db2.gz FMUBIBHGQFAVHJ-NSHDSACASA-N 1 2 267.329 0.386 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382300 360514272 /nfs/dbraw/zinc/51/42/72/360514272.db2.gz FBDSVVCHKOVPRA-UWVGGRQHSA-N 1 2 285.373 0.407 20 30 CCEDLO CC(C)([NH2+]Cc1nc(N)nc(N)n1)c1cccc(C#N)c1 ZINC000595634454 360603757 /nfs/dbraw/zinc/60/37/57/360603757.db2.gz CWOKFDBGETZFIL-UHFFFAOYSA-N 1 2 283.339 0.593 20 30 CCEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COCCO1 ZINC000595738504 360634074 /nfs/dbraw/zinc/63/40/74/360634074.db2.gz JMSGHLZLBGZASC-AWEZNQCLSA-N 1 2 289.335 0.844 20 30 CCEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COCCO1 ZINC000595738504 360634078 /nfs/dbraw/zinc/63/40/78/360634078.db2.gz JMSGHLZLBGZASC-AWEZNQCLSA-N 1 2 289.335 0.844 20 30 CCEDLO CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595821647 360668547 /nfs/dbraw/zinc/66/85/47/360668547.db2.gz YNLJUAOIRSGHGZ-GHMZBOCLSA-N 1 2 259.375 0.502 20 30 CCEDLO CC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C#N ZINC000595821647 360668551 /nfs/dbraw/zinc/66/85/51/360668551.db2.gz YNLJUAOIRSGHGZ-GHMZBOCLSA-N 1 2 259.375 0.502 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833676 360673445 /nfs/dbraw/zinc/67/34/45/360673445.db2.gz ILOJDNCLFILBNH-CABZTGNLSA-N 1 2 252.318 0.456 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833676 360673449 /nfs/dbraw/zinc/67/34/49/360673449.db2.gz ILOJDNCLFILBNH-CABZTGNLSA-N 1 2 252.318 0.456 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836179 360674615 /nfs/dbraw/zinc/67/46/15/360674615.db2.gz XCIXAPNVJVGFGW-GWCFXTLKSA-N 1 2 264.329 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836179 360674619 /nfs/dbraw/zinc/67/46/19/360674619.db2.gz XCIXAPNVJVGFGW-GWCFXTLKSA-N 1 2 264.329 0.622 20 30 CCEDLO CCS(=O)(=O)NCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843738 360676701 /nfs/dbraw/zinc/67/67/01/360676701.db2.gz NAHGVSQBLGLIDP-LLVKDONJSA-N 1 2 259.375 0.551 20 30 CCEDLO CCS(=O)(=O)NCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843738 360676706 /nfs/dbraw/zinc/67/67/06/360676706.db2.gz NAHGVSQBLGLIDP-LLVKDONJSA-N 1 2 259.375 0.551 20 30 CCEDLO CN1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)CCC1=O ZINC000597215236 361032652 /nfs/dbraw/zinc/03/26/52/361032652.db2.gz ZHJOGWURBFIJKK-UHFFFAOYSA-N 1 2 284.323 0.265 20 30 CCEDLO CN1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCC1=O ZINC000597215236 361032656 /nfs/dbraw/zinc/03/26/56/361032656.db2.gz ZHJOGWURBFIJKK-UHFFFAOYSA-N 1 2 284.323 0.265 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)CC#N ZINC000597579332 361144309 /nfs/dbraw/zinc/14/43/09/361144309.db2.gz ZCRBTSFPGUQZFG-NWDGAFQWSA-N 1 2 253.346 0.715 20 30 CCEDLO COCCN(CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000597754385 361235613 /nfs/dbraw/zinc/23/56/13/361235613.db2.gz BYQROLIXKYVXJO-LLVKDONJSA-N 1 2 262.313 0.444 20 30 CCEDLO C[C@H](CC#N)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000597782547 361243915 /nfs/dbraw/zinc/24/39/15/361243915.db2.gz YCKJOMCXFXOIJZ-LLVKDONJSA-N 1 2 253.346 0.763 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000621280448 366702450 /nfs/dbraw/zinc/70/24/50/366702450.db2.gz XBXMBCNDLFSMQP-OLZOCXBDSA-N 1 2 280.368 0.967 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000621280448 366702457 /nfs/dbraw/zinc/70/24/57/366702457.db2.gz XBXMBCNDLFSMQP-OLZOCXBDSA-N 1 2 280.368 0.967 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000597996893 361305249 /nfs/dbraw/zinc/30/52/49/361305249.db2.gz RACYMDMIPDALHE-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000597996893 361305256 /nfs/dbraw/zinc/30/52/56/361305256.db2.gz RACYMDMIPDALHE-NEPJUHHUSA-N 1 2 288.351 0.792 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH]c[nH+]c1C ZINC000611795340 363784246 /nfs/dbraw/zinc/78/42/46/363784246.db2.gz QAEZNJKNUBRROY-LLVKDONJSA-N 1 2 264.329 0.805 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000598613612 361459360 /nfs/dbraw/zinc/45/93/60/361459360.db2.gz AGOIOCIESNWZQH-BBBLOLIVSA-N 1 2 257.309 0.185 20 30 CCEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000598613612 361459361 /nfs/dbraw/zinc/45/93/61/361459361.db2.gz AGOIOCIESNWZQH-BBBLOLIVSA-N 1 2 257.309 0.185 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000564359121 291276804 /nfs/dbraw/zinc/27/68/04/291276804.db2.gz YLOVVZWNBXOQKK-UHFFFAOYSA-N 1 2 294.311 0.909 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598945850 361536208 /nfs/dbraw/zinc/53/62/08/361536208.db2.gz CXGKJBSPJAEOKE-SNVBAGLBSA-N 1 2 255.281 0.828 20 30 CCEDLO N#Cc1ccc(OCC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598943598 361536295 /nfs/dbraw/zinc/53/62/95/361536295.db2.gz TWXDWIRKQCDMTO-LBPRGKRZSA-N 1 2 282.303 0.875 20 30 CCEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000599054719 361562234 /nfs/dbraw/zinc/56/22/34/361562234.db2.gz MPOUDHLFCHCWRH-VXGBXAGGSA-N 1 2 295.350 0.973 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000599160882 361592517 /nfs/dbraw/zinc/59/25/17/361592517.db2.gz KQJGRFUNHFDFBX-NSHDSACASA-N 1 2 261.329 0.075 20 30 CCEDLO CCc1nc(C#N)cc(NC[C@H]2COCC[N@H+]2C)n1 ZINC000599160882 361592522 /nfs/dbraw/zinc/59/25/22/361592522.db2.gz KQJGRFUNHFDFBX-NSHDSACASA-N 1 2 261.329 0.075 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000599363201 361669156 /nfs/dbraw/zinc/66/91/56/361669156.db2.gz VGVLHSBIJPRTMU-AAEUAGOBSA-N 1 2 254.330 0.926 20 30 CCEDLO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000599363201 361669161 /nfs/dbraw/zinc/66/91/61/361669161.db2.gz VGVLHSBIJPRTMU-AAEUAGOBSA-N 1 2 254.330 0.926 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613676073 364337390 /nfs/dbraw/zinc/33/73/90/364337390.db2.gz WMWFEUCKIQPDKU-OLZOCXBDSA-N 1 2 290.367 0.785 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615540728 364997552 /nfs/dbraw/zinc/99/75/52/364997552.db2.gz YBHKOHPSVRNGBJ-NSHDSACASA-N 1 2 251.265 0.567 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616100418 365177376 /nfs/dbraw/zinc/17/73/76/365177376.db2.gz IVWYENOVDRSUKF-NEPJUHHUSA-N 1 2 263.341 0.889 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921143 365468584 /nfs/dbraw/zinc/46/85/84/365468584.db2.gz GTNOEBYAQVHUSM-GFCCVEGCSA-N 1 2 264.329 0.839 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921143 365468594 /nfs/dbraw/zinc/46/85/94/365468594.db2.gz GTNOEBYAQVHUSM-GFCCVEGCSA-N 1 2 264.329 0.839 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296363 367520736 /nfs/dbraw/zinc/52/07/36/367520736.db2.gz HOIJMTIYBCBRMS-TZMCWYRMSA-N 1 2 290.367 0.785 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(OC)n2)C1=O ZINC000625388052 368176501 /nfs/dbraw/zinc/17/65/01/368176501.db2.gz BALFQPACGICNMC-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(OC)n2)C1=O ZINC000625388052 368176509 /nfs/dbraw/zinc/17/65/09/368176509.db2.gz BALFQPACGICNMC-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333814 368150735 /nfs/dbraw/zinc/15/07/35/368150735.db2.gz MLCIFSKVLNXFAT-QWHCGFSZSA-N 1 2 280.368 0.969 20 30 CCEDLO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCC1=O ZINC000625333814 368150742 /nfs/dbraw/zinc/15/07/42/368150742.db2.gz MLCIFSKVLNXFAT-QWHCGFSZSA-N 1 2 280.368 0.969 20 30 CCEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000625734492 368310036 /nfs/dbraw/zinc/31/00/36/368310036.db2.gz NGJNYFYBMISSPN-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000625734492 368310043 /nfs/dbraw/zinc/31/00/43/368310043.db2.gz NGJNYFYBMISSPN-VXGBXAGGSA-N 1 2 253.346 0.418 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634738479 372181554 /nfs/dbraw/zinc/18/15/54/372181554.db2.gz QAYNSWJYKYOOTH-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634738479 372181558 /nfs/dbraw/zinc/18/15/58/372181558.db2.gz QAYNSWJYKYOOTH-NSHDSACASA-N 1 2 253.346 0.231 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293849 373530517 /nfs/dbraw/zinc/53/05/17/373530517.db2.gz RWAVCYIYXOYRKP-AWEZNQCLSA-N 1 2 275.352 0.315 20 30 CCEDLO C=CCn1cc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1 ZINC000637233233 374033259 /nfs/dbraw/zinc/03/32/59/374033259.db2.gz DXWDVDBGRGDXRI-SNVBAGLBSA-N 1 2 287.327 0.085 20 30 CCEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574529323 335027483 /nfs/dbraw/zinc/02/74/83/335027483.db2.gz CFKVPTAGQBRINR-LBPRGKRZSA-N 1 2 280.372 0.301 20 30 CCEDLO C=CCC1(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCCC1 ZINC000638419307 375017571 /nfs/dbraw/zinc/01/75/71/375017571.db2.gz GNDLDRUOKUACIQ-GFCCVEGCSA-N 1 2 279.384 0.812 20 30 CCEDLO C=C(C)[C@H](CO)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640100106 376236176 /nfs/dbraw/zinc/23/61/76/376236176.db2.gz VTDFABJRHFLDLI-HNNXBMFYSA-N 1 2 276.384 0.574 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ncccn2)nn1 ZINC000640827920 376567204 /nfs/dbraw/zinc/56/72/04/376567204.db2.gz BWVMNDCPTGVINT-LLVKDONJSA-N 1 2 299.338 0.381 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cccnc2)nn1 ZINC000641030038 376687459 /nfs/dbraw/zinc/68/74/59/376687459.db2.gz MUEVNBVJBFLLQE-UHFFFAOYSA-N 1 2 298.350 0.102 20 30 CCEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2csnn2)nn1 ZINC000641177137 376846488 /nfs/dbraw/zinc/84/64/88/376846488.db2.gz FNAKPORRCKOKSO-SECBINFHSA-N 1 2 262.342 0.852 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COC(C)C)nn1 ZINC000641190236 376867398 /nfs/dbraw/zinc/86/73/98/376867398.db2.gz MJJUBFWYTLXHLU-CYBMUJFWSA-N 1 2 266.345 0.177 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000657089434 412885786 /nfs/dbraw/zinc/88/57/86/412885786.db2.gz KGGYNRRPOJGVFH-OLZOCXBDSA-N 1 2 290.429 0.981 20 30 CCEDLO C=CCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000657089434 412885788 /nfs/dbraw/zinc/88/57/88/412885788.db2.gz KGGYNRRPOJGVFH-OLZOCXBDSA-N 1 2 290.429 0.981 20 30 CCEDLO Cc1cc(C)c(C#N)c(NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000278738500 194131458 /nfs/dbraw/zinc/13/14/58/194131458.db2.gz LPDUMQSQJCUHLZ-UHFFFAOYSA-N 1 2 287.367 0.804 20 30 CCEDLO Cc1cc(C)c(C#N)c(NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000278738500 194131461 /nfs/dbraw/zinc/13/14/61/194131461.db2.gz LPDUMQSQJCUHLZ-UHFFFAOYSA-N 1 2 287.367 0.804 20 30 CCEDLO C[NH+]1CCN(C(=O)CSc2cccnc2C#N)CC1 ZINC000570581999 291767346 /nfs/dbraw/zinc/76/73/46/291767346.db2.gz UXSZOJNGGFZGLF-UHFFFAOYSA-N 1 2 276.365 0.819 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)nn2)C1=O ZINC000282471953 388754417 /nfs/dbraw/zinc/75/44/17/388754417.db2.gz KTDRGVNLZWDBOB-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)nn2)C1=O ZINC000282471953 388754420 /nfs/dbraw/zinc/75/44/20/388754420.db2.gz KTDRGVNLZWDBOB-LBPRGKRZSA-N 1 2 276.340 0.704 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000023257812 388802461 /nfs/dbraw/zinc/80/24/61/388802461.db2.gz GKDPBXOLWYEHPV-UHFFFAOYSA-N 1 2 258.325 0.161 20 30 CCEDLO N#Cc1ccc2[nH+]cc(CNCC(F)(F)CO)n2c1 ZINC000183880562 388763391 /nfs/dbraw/zinc/76/33/91/388763391.db2.gz OHRHVEMBGAIMMD-UHFFFAOYSA-N 1 2 266.251 0.923 20 30 CCEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000283664884 388768532 /nfs/dbraw/zinc/76/85/32/388768532.db2.gz DLFYGKGMHSTEEC-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)NCCCn1cc[nH+]c1 ZINC000184227968 388770254 /nfs/dbraw/zinc/77/02/54/388770254.db2.gz QBNAKCBNPOKSJW-NSHDSACASA-N 1 2 252.318 0.509 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)cnn2C)CC1 ZINC000285022727 388786713 /nfs/dbraw/zinc/78/67/13/388786713.db2.gz AUNMEQFLHOWIBD-UHFFFAOYSA-N 1 2 296.396 0.058 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027634275 388825160 /nfs/dbraw/zinc/82/51/60/388825160.db2.gz MDYXRHAZTAVDGU-GFCCVEGCSA-N 1 2 275.356 0.289 20 30 CCEDLO C[C@H](C(N)=O)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857029 388828178 /nfs/dbraw/zinc/82/81/78/388828178.db2.gz QTIJQGGXHCSTDE-SNVBAGLBSA-N 1 2 276.315 0.693 20 30 CCEDLO C=CCNC(=O)CNc1cc(NCCCC)[nH+]c(N)n1 ZINC000286672257 388844820 /nfs/dbraw/zinc/84/48/20/388844820.db2.gz YWTQLWJOFBBHOZ-UHFFFAOYSA-N 1 2 278.360 0.985 20 30 CCEDLO C=CCNC(=O)CNc1cc(NCCCC)nc(N)[nH+]1 ZINC000286672257 388844827 /nfs/dbraw/zinc/84/48/27/388844827.db2.gz YWTQLWJOFBBHOZ-UHFFFAOYSA-N 1 2 278.360 0.985 20 30 CCEDLO Cc1c(-c2cc(CO[NH+]=C(N)CCO)on2)cnn1C ZINC000186789200 388851429 /nfs/dbraw/zinc/85/14/29/388851429.db2.gz JALGRPDANUECSU-UHFFFAOYSA-N 1 2 279.300 0.555 20 30 CCEDLO C#CCC(CC#C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000287948591 388856690 /nfs/dbraw/zinc/85/66/90/388856690.db2.gz GKFAMJJXMUMQQC-AWEZNQCLSA-N 1 2 276.380 0.828 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCO)CC1 ZINC000042287369 388865877 /nfs/dbraw/zinc/86/58/77/388865877.db2.gz MHEUFPYURWZVTE-CQSZACIVSA-N 1 2 283.416 0.409 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187390947 388879794 /nfs/dbraw/zinc/87/97/94/388879794.db2.gz FLPXEDGWHKQCFC-NWDGAFQWSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187390947 388879796 /nfs/dbraw/zinc/87/97/96/388879796.db2.gz FLPXEDGWHKQCFC-NWDGAFQWSA-N 1 2 280.372 0.334 20 30 CCEDLO C#CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048020545 388885800 /nfs/dbraw/zinc/88/58/00/388885800.db2.gz YPDIBGAKBAPDIS-UHFFFAOYSA-N 1 2 258.325 0.983 20 30 CCEDLO C=C[C@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000290513158 388906373 /nfs/dbraw/zinc/90/63/73/388906373.db2.gz GSGROAFSSDPNAC-SNVBAGLBSA-N 1 2 262.300 0.627 20 30 CCEDLO C=CC[N@@H+](C[C@H](O)CSC)[C@@H]1CCS(=O)(=O)C1 ZINC000188058387 388911720 /nfs/dbraw/zinc/91/17/20/388911720.db2.gz NNJPONSHXWPPDU-MNOVXSKESA-N 1 2 279.427 0.385 20 30 CCEDLO C=CC[N@H+](C[C@H](O)CSC)[C@@H]1CCS(=O)(=O)C1 ZINC000188058387 388911723 /nfs/dbraw/zinc/91/17/23/388911723.db2.gz NNJPONSHXWPPDU-MNOVXSKESA-N 1 2 279.427 0.385 20 30 CCEDLO CN(C(=O)C[N@@H+]1CCNC(=O)CC1)C1(C#N)CCCCC1 ZINC000054258274 388930369 /nfs/dbraw/zinc/93/03/69/388930369.db2.gz NEMMFESNWKCYQN-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CN(C(=O)C[N@H+]1CCNC(=O)CC1)C1(C#N)CCCCC1 ZINC000054258274 388930371 /nfs/dbraw/zinc/93/03/71/388930371.db2.gz NEMMFESNWKCYQN-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CCC[N@H+](CC(=O)NC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000056508999 388931484 /nfs/dbraw/zinc/93/14/84/388931484.db2.gz LRINWCBMSZDJFY-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000056508999 388931490 /nfs/dbraw/zinc/93/14/90/388931490.db2.gz LRINWCBMSZDJFY-AWEZNQCLSA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000069664524 388950668 /nfs/dbraw/zinc/95/06/68/388950668.db2.gz YCQPFTIBEMJRLY-UHFFFAOYSA-N 1 2 287.367 0.600 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000295278271 388998818 /nfs/dbraw/zinc/99/88/18/388998818.db2.gz CUXSNIOJOSVCBD-UHFFFAOYSA-N 1 2 253.346 0.383 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000295278271 388998820 /nfs/dbraw/zinc/99/88/20/388998820.db2.gz CUXSNIOJOSVCBD-UHFFFAOYSA-N 1 2 253.346 0.383 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000081513552 389000101 /nfs/dbraw/zinc/00/01/01/389000101.db2.gz LCAATZOIUZTUDW-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000081513552 389000103 /nfs/dbraw/zinc/00/01/03/389000103.db2.gz LCAATZOIUZTUDW-CYBMUJFWSA-N 1 2 294.376 0.789 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000336923977 389032862 /nfs/dbraw/zinc/03/28/62/389032862.db2.gz VBXNCDMWZBRTLD-UHFFFAOYSA-N 1 2 274.390 0.104 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000191217049 389008883 /nfs/dbraw/zinc/00/88/83/389008883.db2.gz FZZVRXNRARBNGX-NQBHXWOUSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000191217049 389008886 /nfs/dbraw/zinc/00/88/86/389008886.db2.gz FZZVRXNRARBNGX-NQBHXWOUSA-N 1 2 266.341 0.562 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337233458 389057219 /nfs/dbraw/zinc/05/72/19/389057219.db2.gz WMEZRFGZGPYYOO-RYUDHWBXSA-N 1 2 265.357 0.396 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000337233458 389057228 /nfs/dbraw/zinc/05/72/28/389057228.db2.gz WMEZRFGZGPYYOO-RYUDHWBXSA-N 1 2 265.357 0.396 20 30 CCEDLO CCOC(=O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000337546823 389063362 /nfs/dbraw/zinc/06/33/62/389063362.db2.gz VVJOYOLYLIYDKE-UHFFFAOYSA-N 1 2 297.355 0.014 20 30 CCEDLO C#CCNC(=O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000302158211 389063603 /nfs/dbraw/zinc/06/36/03/389063603.db2.gz XDRUIZVAKTWMRZ-UHFFFAOYSA-N 1 2 269.308 0.753 20 30 CCEDLO COC(=O)c1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000121307093 389146945 /nfs/dbraw/zinc/14/69/45/389146945.db2.gz ATYGMHUMMSMELN-UHFFFAOYSA-N 1 2 252.270 0.644 20 30 CCEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)cn1 ZINC000107539124 389096054 /nfs/dbraw/zinc/09/60/54/389096054.db2.gz BCVWRGUDRKUKSC-UHFFFAOYSA-N 1 2 255.281 0.959 20 30 CCEDLO CN1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000328953841 389147487 /nfs/dbraw/zinc/14/74/87/389147487.db2.gz MOZKQLYFYLYGRZ-VHSXEESVSA-N 1 2 262.313 0.633 20 30 CCEDLO COC(=O)[C@@H]1C[N@H+](CCOCCC#N)C[C@@H](C)O1 ZINC000339173354 389127467 /nfs/dbraw/zinc/12/74/67/389127467.db2.gz RVXHRPJUMLKPDR-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO COC(=O)[C@@H]1C[N@@H+](CCOCCC#N)C[C@@H](C)O1 ZINC000339173354 389127470 /nfs/dbraw/zinc/12/74/70/389127470.db2.gz RVXHRPJUMLKPDR-MNOVXSKESA-N 1 2 256.302 0.179 20 30 CCEDLO C=CCSCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000357316807 389133207 /nfs/dbraw/zinc/13/32/07/389133207.db2.gz UOCDZDIJDPTALN-UHFFFAOYSA-N 1 2 253.375 0.999 20 30 CCEDLO C=CCSCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000357316807 389133209 /nfs/dbraw/zinc/13/32/09/389133209.db2.gz UOCDZDIJDPTALN-UHFFFAOYSA-N 1 2 253.375 0.999 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617239 389135735 /nfs/dbraw/zinc/13/57/35/389135735.db2.gz QYVSCHFZPWOSMD-XQQFMLRXSA-N 1 2 266.389 0.771 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617239 389135739 /nfs/dbraw/zinc/13/57/39/389135739.db2.gz QYVSCHFZPWOSMD-XQQFMLRXSA-N 1 2 266.389 0.771 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nccc(C)n2)CC1 ZINC000339662388 389136423 /nfs/dbraw/zinc/13/64/23/389136423.db2.gz TTXKSBFAZCZPKW-UHFFFAOYSA-N 1 2 289.383 0.205 20 30 CCEDLO C[C@H](C(=O)NC[C@@]1(O)CCOC1)[NH+]1CCSCC1 ZINC000328776176 389137277 /nfs/dbraw/zinc/13/72/77/389137277.db2.gz KXAUSOPCAPADSL-PWSUYJOCSA-N 1 2 274.386 0.532 20 30 CCEDLO CN(CC(=O)NC1CC1)C(=O)CCc1c[nH+]cn1C ZINC000328793410 389137848 /nfs/dbraw/zinc/13/78/48/389137848.db2.gz CCUFSPHVBDNTEF-UHFFFAOYSA-N 1 2 264.329 0.930 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000120390310 389142725 /nfs/dbraw/zinc/14/27/25/389142725.db2.gz LPDZVAVXDWJNJR-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245389546 389205506 /nfs/dbraw/zinc/20/55/06/389205506.db2.gz IMRVETOCSGVAEE-SWLSCSKDSA-N 1 2 292.383 0.395 20 30 CCEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245389546 389205508 /nfs/dbraw/zinc/20/55/08/389205508.db2.gz IMRVETOCSGVAEE-SWLSCSKDSA-N 1 2 292.383 0.395 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129675785 389191707 /nfs/dbraw/zinc/19/17/07/389191707.db2.gz ZQXNJOSGROATQF-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000129675785 389191708 /nfs/dbraw/zinc/19/17/08/389191708.db2.gz ZQXNJOSGROATQF-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCOC1 ZINC000329735599 389194337 /nfs/dbraw/zinc/19/43/37/389194337.db2.gz LCDWYNFHTHICKH-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCOC1 ZINC000329735599 389194339 /nfs/dbraw/zinc/19/43/39/389194339.db2.gz LCDWYNFHTHICKH-ZJUUUORDSA-N 1 2 264.329 0.902 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284489 389195664 /nfs/dbraw/zinc/19/56/64/389195664.db2.gz GLGRNJGADOCDAS-CHWSQXEVSA-N 1 2 287.319 0.580 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284489 389195668 /nfs/dbraw/zinc/19/56/68/389195668.db2.gz GLGRNJGADOCDAS-CHWSQXEVSA-N 1 2 287.319 0.580 20 30 CCEDLO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329771274 389198682 /nfs/dbraw/zinc/19/86/82/389198682.db2.gz GSCKYZPIKLDAJX-LLVKDONJSA-N 1 2 289.401 0.115 20 30 CCEDLO C[N@H+]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329771274 389198684 /nfs/dbraw/zinc/19/86/84/389198684.db2.gz GSCKYZPIKLDAJX-LLVKDONJSA-N 1 2 289.401 0.115 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000329244612 389153626 /nfs/dbraw/zinc/15/36/26/389153626.db2.gz PZXFEAZOUMVSAM-RKDXNWHRSA-N 1 2 298.368 0.712 20 30 CCEDLO COc1cnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000329244612 389153629 /nfs/dbraw/zinc/15/36/29/389153629.db2.gz PZXFEAZOUMVSAM-RKDXNWHRSA-N 1 2 298.368 0.712 20 30 CCEDLO [O-]C(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CCn1cccn1 ZINC000329297309 389155009 /nfs/dbraw/zinc/15/50/09/389155009.db2.gz KYPWEUHOXZMMCW-LLVKDONJSA-N 1 2 263.345 0.623 20 30 CCEDLO [O-]C(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CCn1cccn1 ZINC000329297309 389155010 /nfs/dbraw/zinc/15/50/10/389155010.db2.gz KYPWEUHOXZMMCW-LLVKDONJSA-N 1 2 263.345 0.623 20 30 CCEDLO O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1CC#Cc1ccccc1 ZINC000358995375 389164658 /nfs/dbraw/zinc/16/46/58/389164658.db2.gz JZXCXPLUADILGW-CQSZACIVSA-N 1 2 294.314 0.924 20 30 CCEDLO O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1CC#Cc1ccccc1 ZINC000358995375 389164661 /nfs/dbraw/zinc/16/46/61/389164661.db2.gz JZXCXPLUADILGW-CQSZACIVSA-N 1 2 294.314 0.924 20 30 CCEDLO C=C[C@H](CO)NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000359233258 389169141 /nfs/dbraw/zinc/16/91/41/389169141.db2.gz QGJNTVSIHWRJNG-GHMZBOCLSA-N 1 2 264.329 0.607 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000134229975 389243641 /nfs/dbraw/zinc/24/36/41/389243641.db2.gz TVBXDQVCZQQILI-UHFFFAOYSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000134229975 389243642 /nfs/dbraw/zinc/24/36/42/389243642.db2.gz TVBXDQVCZQQILI-UHFFFAOYSA-N 1 2 254.330 0.706 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000330606881 389245824 /nfs/dbraw/zinc/24/58/24/389245824.db2.gz OFSXKBDGWMSCED-LLVKDONJSA-N 1 2 294.355 0.610 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000330606881 389245825 /nfs/dbraw/zinc/24/58/25/389245825.db2.gz OFSXKBDGWMSCED-LLVKDONJSA-N 1 2 294.355 0.610 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330770414 389253648 /nfs/dbraw/zinc/25/36/48/389253648.db2.gz BFDBTAXGPGTKQV-NSHDSACASA-N 1 2 293.371 0.773 20 30 CCEDLO C=CCOC[C@@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342848808 389254528 /nfs/dbraw/zinc/25/45/28/389254528.db2.gz FQEWYQRWVKIXEN-LLVKDONJSA-N 1 2 267.329 0.562 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135584582 389260047 /nfs/dbraw/zinc/26/00/47/389260047.db2.gz YNYGJMCCPICADG-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135584582 389260049 /nfs/dbraw/zinc/26/00/49/389260049.db2.gz YNYGJMCCPICADG-GFCCVEGCSA-N 1 2 266.341 0.006 20 30 CCEDLO Cc1cc(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000329871933 389207635 /nfs/dbraw/zinc/20/76/35/389207635.db2.gz BBUGAPNMWHGSFR-LLVKDONJSA-N 1 2 253.302 0.813 20 30 CCEDLO Cc1cc(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000329871933 389207638 /nfs/dbraw/zinc/20/76/38/389207638.db2.gz BBUGAPNMWHGSFR-LLVKDONJSA-N 1 2 253.302 0.813 20 30 CCEDLO C=CCN(CCOC)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361091968 389207871 /nfs/dbraw/zinc/20/78/71/389207871.db2.gz XKLDWMYRWRXGIO-UHFFFAOYSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCOC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)C(=O)OC ZINC000361106895 389208761 /nfs/dbraw/zinc/20/87/61/389208761.db2.gz GQXGYHNORCRBAP-RUXDESIVSA-N 1 2 298.383 0.768 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C(F)F)CC2)C1 ZINC000329893809 389209146 /nfs/dbraw/zinc/20/91/46/389209146.db2.gz AZANIUGLJWDMQR-SECBINFHSA-N 1 2 277.315 0.866 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC2(C(F)F)CC2)C1 ZINC000329893809 389209150 /nfs/dbraw/zinc/20/91/50/389209150.db2.gz AZANIUGLJWDMQR-SECBINFHSA-N 1 2 277.315 0.866 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131099677 389209917 /nfs/dbraw/zinc/20/99/17/389209917.db2.gz JJOQYJXZTSXQAK-UHFFFAOYSA-N 1 2 267.373 0.773 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131099677 389209918 /nfs/dbraw/zinc/20/99/18/389209918.db2.gz JJOQYJXZTSXQAK-UHFFFAOYSA-N 1 2 267.373 0.773 20 30 CCEDLO CC(C)(C(=O)N[C@@H]1C=C[C@H](CO)C1)[NH+]1CCOCC1 ZINC000329912066 389210306 /nfs/dbraw/zinc/21/03/06/389210306.db2.gz WSWGKETUVMQZER-NWDGAFQWSA-N 1 2 268.357 0.991 20 30 CCEDLO CC(=O)NC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329924327 389211751 /nfs/dbraw/zinc/21/17/51/389211751.db2.gz UWSDLRBDELPLSO-JTQLQIEISA-N 1 2 262.313 0.633 20 30 CCEDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000361863467 389225886 /nfs/dbraw/zinc/22/58/86/389225886.db2.gz WONQWKCPMGFCBR-AWEZNQCLSA-N 1 2 278.377 0.791 20 30 CCEDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000361863467 389225887 /nfs/dbraw/zinc/22/58/87/389225887.db2.gz WONQWKCPMGFCBR-AWEZNQCLSA-N 1 2 278.377 0.791 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000330412224 389225984 /nfs/dbraw/zinc/22/59/84/389225984.db2.gz AYUOQNQWHJDRQN-LLVKDONJSA-N 1 2 298.387 0.416 20 30 CCEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000330412224 389225987 /nfs/dbraw/zinc/22/59/87/389225987.db2.gz AYUOQNQWHJDRQN-LLVKDONJSA-N 1 2 298.387 0.416 20 30 CCEDLO Cc1[nH+]c2ccc(C(=O)NC[C@@](C)(O)CO)cc2n1C ZINC000330422252 389227332 /nfs/dbraw/zinc/22/73/32/389227332.db2.gz DNRYLCHNCGPOGP-CQSZACIVSA-N 1 2 277.324 0.930 20 30 CCEDLO CCn1nncc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000330446465 389230034 /nfs/dbraw/zinc/23/00/34/389230034.db2.gz RIFYWFVEVNLZKS-LBPRGKRZSA-N 1 2 295.387 0.959 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cncc(O)c1 ZINC000330484535 389234580 /nfs/dbraw/zinc/23/45/80/389234580.db2.gz XZINRYVUXPGJEN-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cncc(O)c1 ZINC000330484535 389234583 /nfs/dbraw/zinc/23/45/83/389234583.db2.gz XZINRYVUXPGJEN-JTQLQIEISA-N 1 2 265.313 0.813 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000330495278 389235536 /nfs/dbraw/zinc/23/55/36/389235536.db2.gz QRLHUJBAWKZSEF-GXTWGEPZSA-N 1 2 273.336 0.916 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000330495278 389235541 /nfs/dbraw/zinc/23/55/41/389235541.db2.gz QRLHUJBAWKZSEF-GXTWGEPZSA-N 1 2 273.336 0.916 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330511469 389237151 /nfs/dbraw/zinc/23/71/51/389237151.db2.gz FBQUGLYWCNUWTI-UHIISALHSA-N 1 2 295.387 0.586 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330511469 389237154 /nfs/dbraw/zinc/23/71/54/389237154.db2.gz FBQUGLYWCNUWTI-UHIISALHSA-N 1 2 295.387 0.586 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000330509378 389237177 /nfs/dbraw/zinc/23/71/77/389237177.db2.gz PPNCVLXXNBRGRW-LBPRGKRZSA-N 1 2 293.371 0.997 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000330509378 389237180 /nfs/dbraw/zinc/23/71/80/389237180.db2.gz PPNCVLXXNBRGRW-LBPRGKRZSA-N 1 2 293.371 0.997 20 30 CCEDLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330523725 389237579 /nfs/dbraw/zinc/23/75/79/389237579.db2.gz JRDSWPJTTDKTQH-JTQLQIEISA-N 1 2 287.360 0.162 20 30 CCEDLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](COC)OC(C)(C)C1 ZINC000330523725 389237582 /nfs/dbraw/zinc/23/75/82/389237582.db2.gz JRDSWPJTTDKTQH-JTQLQIEISA-N 1 2 287.360 0.162 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330524754 389237725 /nfs/dbraw/zinc/23/77/25/389237725.db2.gz KWELRDGLMRHGFU-VGMNWLOBSA-N 1 2 286.332 0.050 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330524754 389237728 /nfs/dbraw/zinc/23/77/28/389237728.db2.gz KWELRDGLMRHGFU-VGMNWLOBSA-N 1 2 286.332 0.050 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247393030 389239635 /nfs/dbraw/zinc/23/96/35/389239635.db2.gz QNQCADXFNHKDKX-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247393030 389239639 /nfs/dbraw/zinc/23/96/39/389239639.db2.gz QNQCADXFNHKDKX-MCIONIFRSA-N 1 2 295.383 0.627 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247478770 389240196 /nfs/dbraw/zinc/24/01/96/389240196.db2.gz FHHLCBSNZIBVFH-WOPDTQHZSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247478770 389240198 /nfs/dbraw/zinc/24/01/98/389240198.db2.gz FHHLCBSNZIBVFH-WOPDTQHZSA-N 1 2 283.372 0.886 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156316921 389325117 /nfs/dbraw/zinc/32/51/17/389325117.db2.gz QUFYRFWDSTUOIL-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156316921 389325119 /nfs/dbraw/zinc/32/51/19/389325119.db2.gz QUFYRFWDSTUOIL-GHMZBOCLSA-N 1 2 253.298 0.436 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000346430914 389329500 /nfs/dbraw/zinc/32/95/00/389329500.db2.gz XWMPHSMKQXDIBQ-UHFFFAOYSA-N 1 2 288.395 0.810 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346451133 389329579 /nfs/dbraw/zinc/32/95/79/389329579.db2.gz JGGRFIGONZGJKC-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346451133 389329581 /nfs/dbraw/zinc/32/95/81/389329581.db2.gz JGGRFIGONZGJKC-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157243206 389330793 /nfs/dbraw/zinc/33/07/93/389330793.db2.gz WUCVHBKDLHIWGS-CHWSQXEVSA-N 1 2 283.372 0.220 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157243206 389330795 /nfs/dbraw/zinc/33/07/95/389330795.db2.gz WUCVHBKDLHIWGS-CHWSQXEVSA-N 1 2 283.372 0.220 20 30 CCEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000264579637 389336938 /nfs/dbraw/zinc/33/69/38/389336938.db2.gz UYSYHOGHISNJHP-ZDUSSCGKSA-N 1 2 275.308 0.275 20 30 CCEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000264579637 389336941 /nfs/dbraw/zinc/33/69/41/389336941.db2.gz UYSYHOGHISNJHP-ZDUSSCGKSA-N 1 2 275.308 0.275 20 30 CCEDLO CC(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346878645 389340572 /nfs/dbraw/zinc/34/05/72/389340572.db2.gz ZMNARYKEHNXQBK-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO CC(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346878645 389340579 /nfs/dbraw/zinc/34/05/79/389340579.db2.gz ZMNARYKEHNXQBK-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO CCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N(C)CC[NH+](C)C)CC2 ZINC000331054964 389298454 /nfs/dbraw/zinc/29/84/54/389298454.db2.gz KEYRUIKQKCZJBL-NSHDSACASA-N 1 2 294.403 0.563 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CSCC#N ZINC000345437382 389305760 /nfs/dbraw/zinc/30/57/60/389305760.db2.gz WKUFSLGTOMATAA-LLVKDONJSA-N 1 2 271.386 0.422 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348414712 389377467 /nfs/dbraw/zinc/37/74/67/389377467.db2.gz XVWRSZGQRGHHDG-SNVBAGLBSA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348414712 389377471 /nfs/dbraw/zinc/37/74/71/389377471.db2.gz XVWRSZGQRGHHDG-SNVBAGLBSA-N 1 2 279.344 0.252 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238498 389408438 /nfs/dbraw/zinc/40/84/38/389408438.db2.gz KCKGYSSKOXMEAU-RKDXNWHRSA-N 1 2 266.301 0.726 20 30 CCEDLO C#CC[NH+](CC#C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000372979513 389461681 /nfs/dbraw/zinc/46/16/81/389461681.db2.gz XVBCHWKLLVMFJS-UHFFFAOYSA-N 1 2 265.320 0.946 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1F ZINC000333602148 389435192 /nfs/dbraw/zinc/43/51/92/389435192.db2.gz MRYDRZXECACJSF-STQMWFEESA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1F ZINC000333602148 389435195 /nfs/dbraw/zinc/43/51/95/389435195.db2.gz MRYDRZXECACJSF-STQMWFEESA-N 1 2 289.310 0.787 20 30 CCEDLO C=CCN(C)CC[N@@H+](CC)C[C@@H](C)S(C)(=O)=O ZINC000411643587 389440965 /nfs/dbraw/zinc/44/09/65/389440965.db2.gz IMDVOINBKQQUFT-GFCCVEGCSA-N 1 2 262.419 0.859 20 30 CCEDLO C=CCN(C)CC[N@H+](CC)C[C@@H](C)S(C)(=O)=O ZINC000411643587 389440966 /nfs/dbraw/zinc/44/09/66/389440966.db2.gz IMDVOINBKQQUFT-GFCCVEGCSA-N 1 2 262.419 0.859 20 30 CCEDLO COc1cc(C)nc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000271232186 389441138 /nfs/dbraw/zinc/44/11/38/389441138.db2.gz UYTCSSYWVBJDDF-UHFFFAOYSA-N 1 2 294.355 0.520 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCSC[C@H]2C(N)=O)c1 ZINC000271534746 389443259 /nfs/dbraw/zinc/44/32/59/389443259.db2.gz JAWUISOKYWAZRE-LBPRGKRZSA-N 1 2 261.350 0.961 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@H]2C(N)=O)c1 ZINC000271534746 389443265 /nfs/dbraw/zinc/44/32/65/389443265.db2.gz JAWUISOKYWAZRE-LBPRGKRZSA-N 1 2 261.350 0.961 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C#N)CCC2)C1 ZINC000333928792 389450194 /nfs/dbraw/zinc/45/01/94/389450194.db2.gz XTEJYDTVAADSMJ-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC2(C#N)CCC2)C1 ZINC000333928792 389450199 /nfs/dbraw/zinc/45/01/99/389450199.db2.gz XTEJYDTVAADSMJ-LLVKDONJSA-N 1 2 266.345 0.310 20 30 CCEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373730972 389510912 /nfs/dbraw/zinc/51/09/12/389510912.db2.gz YDEYDEWRWBTFPN-GHMZBOCLSA-N 1 2 260.297 0.196 20 30 CCEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1F ZINC000373970756 389531912 /nfs/dbraw/zinc/53/19/12/389531912.db2.gz VTJIGSFQEYGHKS-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO N#Cc1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1F ZINC000373970756 389531916 /nfs/dbraw/zinc/53/19/16/389531916.db2.gz VTJIGSFQEYGHKS-ZIAGYGMSSA-N 1 2 289.310 0.787 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2C(N)=O)C1=O ZINC000374155000 389552562 /nfs/dbraw/zinc/55/25/62/389552562.db2.gz ATTRQXWVYQNPIQ-GJZGRUSLSA-N 1 2 299.374 0.686 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)C1=O ZINC000374155000 389552568 /nfs/dbraw/zinc/55/25/68/389552568.db2.gz ATTRQXWVYQNPIQ-GJZGRUSLSA-N 1 2 299.374 0.686 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249587 389612051 /nfs/dbraw/zinc/61/20/51/389612051.db2.gz GSAKDHDGEILGLY-QWHCGFSZSA-N 1 2 281.400 0.960 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C(C)C)C1=O ZINC000281249587 389612053 /nfs/dbraw/zinc/61/20/53/389612053.db2.gz GSAKDHDGEILGLY-QWHCGFSZSA-N 1 2 281.400 0.960 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335846714 389612607 /nfs/dbraw/zinc/61/26/07/389612607.db2.gz GVNRXTPORVDAJF-JTQLQIEISA-N 1 2 255.343 0.693 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000281388392 389615804 /nfs/dbraw/zinc/61/58/04/389615804.db2.gz POYMQGPETYJVIK-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000281388392 389615809 /nfs/dbraw/zinc/61/58/09/389615809.db2.gz POYMQGPETYJVIK-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(CCOC)c2)C1=O ZINC000281413784 389616752 /nfs/dbraw/zinc/61/67/52/389616752.db2.gz YKCKRBBOGVEQTF-CQSZACIVSA-N 1 2 292.383 0.748 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(CCOC)c2)C1=O ZINC000281413784 389616754 /nfs/dbraw/zinc/61/67/54/389616754.db2.gz YKCKRBBOGVEQTF-CQSZACIVSA-N 1 2 292.383 0.748 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@@]2(C)CCC)C1=O ZINC000281464912 389617157 /nfs/dbraw/zinc/61/71/57/389617157.db2.gz VPBMURXJQBNFJO-SWLSCSKDSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@@]2(C)CCC)C1=O ZINC000281464912 389617164 /nfs/dbraw/zinc/61/71/64/389617164.db2.gz VPBMURXJQBNFJO-SWLSCSKDSA-N 1 2 279.384 0.764 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374458202 389581773 /nfs/dbraw/zinc/58/17/73/389581773.db2.gz YPQRXPFUKPGOBQ-GHMZBOCLSA-N 1 2 297.384 0.883 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H](C)C#N ZINC000351473681 389584774 /nfs/dbraw/zinc/58/47/74/389584774.db2.gz DQSRZEAUGNSTSP-YPMHNXCESA-N 1 2 283.372 0.782 20 30 CCEDLO CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H](C)C#N ZINC000351473681 389584778 /nfs/dbraw/zinc/58/47/78/389584778.db2.gz DQSRZEAUGNSTSP-YPMHNXCESA-N 1 2 283.372 0.782 20 30 CCEDLO COc1cccc(C(N)=[NH+]OCc2ncnn2C)c1 ZINC000177675776 389589881 /nfs/dbraw/zinc/58/98/81/389589881.db2.gz IMPVXNULYIGQLF-UHFFFAOYSA-N 1 2 261.285 0.661 20 30 CCEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(OCC(F)F)C1 ZINC000414148051 389603006 /nfs/dbraw/zinc/60/30/06/389603006.db2.gz NBFVKXBRKGMKGU-JTQLQIEISA-N 1 2 277.315 0.159 20 30 CCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(OCC(F)F)C1 ZINC000414148051 389603010 /nfs/dbraw/zinc/60/30/10/389603010.db2.gz NBFVKXBRKGMKGU-JTQLQIEISA-N 1 2 277.315 0.159 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)C(F)(F)F)C1=O ZINC000281138575 389608514 /nfs/dbraw/zinc/60/85/14/389608514.db2.gz AIPWATWASYZOPR-DTWKUNHWSA-N 1 2 266.263 0.628 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)C(F)(F)F)C1=O ZINC000281138575 389608516 /nfs/dbraw/zinc/60/85/16/389608516.db2.gz AIPWATWASYZOPR-DTWKUNHWSA-N 1 2 266.263 0.628 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000375842983 389719311 /nfs/dbraw/zinc/71/93/11/389719311.db2.gz ADKIIXGGDWZGDY-QMTHXVAHSA-N 1 2 278.356 0.005 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000375842983 389719312 /nfs/dbraw/zinc/71/93/12/389719312.db2.gz ADKIIXGGDWZGDY-QMTHXVAHSA-N 1 2 278.356 0.005 20 30 CCEDLO C=CCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000351682877 389655886 /nfs/dbraw/zinc/65/58/86/389655886.db2.gz LXTIMCPDFVCHLA-AWEZNQCLSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)OCC)CC2)C1=O ZINC000282088680 389656723 /nfs/dbraw/zinc/65/67/23/389656723.db2.gz VDCIQDDAZXYKKS-LBPRGKRZSA-N 1 2 281.356 0.547 20 30 CCEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000428378812 389695487 /nfs/dbraw/zinc/69/54/87/389695487.db2.gz IYBWITAFWZIXSO-NSHDSACASA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000428378812 389695488 /nfs/dbraw/zinc/69/54/88/389695488.db2.gz IYBWITAFWZIXSO-NSHDSACASA-N 1 2 297.355 0.950 20 30 CCEDLO C=C(C)CNC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000429428365 389755765 /nfs/dbraw/zinc/75/57/65/389755765.db2.gz IVNQLHVSLYHOSO-UHFFFAOYSA-N 1 2 293.371 0.335 20 30 CCEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)NCC#N)C[C@H](C)O2 ZINC000430256391 389789608 /nfs/dbraw/zinc/78/96/08/389789608.db2.gz KLLXLEDUSLFSAQ-MBNYWOFBSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)NCC#N)C[C@H](C)O2 ZINC000430256391 389789609 /nfs/dbraw/zinc/78/96/09/389789609.db2.gz KLLXLEDUSLFSAQ-MBNYWOFBSA-N 1 2 281.356 0.285 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375929046 389726497 /nfs/dbraw/zinc/72/64/97/389726497.db2.gz CQRYZRYXOSJBOR-HNYWDRBLSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375929046 389726500 /nfs/dbraw/zinc/72/65/00/389726500.db2.gz CQRYZRYXOSJBOR-HNYWDRBLSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375929049 389726768 /nfs/dbraw/zinc/72/67/68/389726768.db2.gz CQRYZRYXOSJBOR-UYSIFFEZSA-N 1 2 285.413 0.447 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375929049 389726772 /nfs/dbraw/zinc/72/67/72/389726772.db2.gz CQRYZRYXOSJBOR-UYSIFFEZSA-N 1 2 285.413 0.447 20 30 CCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352439187 389810640 /nfs/dbraw/zinc/81/06/40/389810640.db2.gz OPWHVPUXSLQLQF-HOCLYGCPSA-N 1 2 297.443 0.967 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352442659 389811502 /nfs/dbraw/zinc/81/15/02/389811502.db2.gz VFXQRRVGMLRYBQ-SECBINFHSA-N 1 2 270.308 0.548 20 30 CCEDLO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433294195 389907821 /nfs/dbraw/zinc/90/78/21/389907821.db2.gz KGNVSUIGVIEBIJ-MGPQQGTHSA-N 1 2 283.416 0.938 20 30 CCEDLO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433294195 389907822 /nfs/dbraw/zinc/90/78/22/389907822.db2.gz KGNVSUIGVIEBIJ-MGPQQGTHSA-N 1 2 283.416 0.938 20 30 CCEDLO C[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC(C)(C)C#N ZINC000433314530 389907970 /nfs/dbraw/zinc/90/79/70/389907970.db2.gz ZZHDYKNKEKKHOP-NSHDSACASA-N 1 2 280.372 0.192 20 30 CCEDLO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC(C)(C)C#N ZINC000433314530 389907972 /nfs/dbraw/zinc/90/79/72/389907972.db2.gz ZZHDYKNKEKKHOP-NSHDSACASA-N 1 2 280.372 0.192 20 30 CCEDLO C=CCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000447947755 389974965 /nfs/dbraw/zinc/97/49/65/389974965.db2.gz HWBYWEDKCIFXKD-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=CCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000447947755 389974966 /nfs/dbraw/zinc/97/49/66/389974966.db2.gz HWBYWEDKCIFXKD-GFCCVEGCSA-N 1 2 254.378 0.498 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444802133 389918881 /nfs/dbraw/zinc/91/88/81/389918881.db2.gz LZGMYUCKSZLNAA-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444802133 389918883 /nfs/dbraw/zinc/91/88/83/389918883.db2.gz LZGMYUCKSZLNAA-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CCCOCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434284025 389928989 /nfs/dbraw/zinc/92/89/89/389928989.db2.gz VQOSROJHQSTIBP-CQSZACIVSA-N 1 2 299.415 0.941 20 30 CCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC#N ZINC000434387559 389932105 /nfs/dbraw/zinc/93/21/05/389932105.db2.gz VACUBUWBFLOLJD-LBPRGKRZSA-N 1 2 268.361 0.652 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000448972888 389992297 /nfs/dbraw/zinc/99/22/97/389992297.db2.gz WJVGOVWKKNWXMF-YPMHNXCESA-N 1 2 251.330 0.327 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000439332273 390019789 /nfs/dbraw/zinc/01/97/89/390019789.db2.gz UMRFBWALFNYJBQ-VIFPVBQESA-N 1 2 276.296 0.789 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000491165090 390110121 /nfs/dbraw/zinc/11/01/21/390110121.db2.gz ILUOFPDPQJKXLE-UHFFFAOYSA-N 1 2 296.374 0.425 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000491408297 390112950 /nfs/dbraw/zinc/11/29/50/390112950.db2.gz VIBPLJKPHMDYOV-STQMWFEESA-N 1 2 276.336 0.248 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCO[C@H](C3CCC3)C2)C1=O ZINC000491408297 390112951 /nfs/dbraw/zinc/11/29/51/390112951.db2.gz VIBPLJKPHMDYOV-STQMWFEESA-N 1 2 276.336 0.248 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000491760081 390116712 /nfs/dbraw/zinc/11/67/12/390116712.db2.gz PDQOHPFNULZCBJ-ZWNOBZJWSA-N 1 2 266.366 0.780 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000491760081 390116713 /nfs/dbraw/zinc/11/67/13/390116713.db2.gz PDQOHPFNULZCBJ-ZWNOBZJWSA-N 1 2 266.366 0.780 20 30 CCEDLO C=C(C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494212748 390158916 /nfs/dbraw/zinc/15/89/16/390158916.db2.gz OYRVYUASZPWIRF-GFCCVEGCSA-N 1 2 253.346 0.725 20 30 CCEDLO C=C(C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494212748 390158918 /nfs/dbraw/zinc/15/89/18/390158918.db2.gz OYRVYUASZPWIRF-GFCCVEGCSA-N 1 2 253.346 0.725 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000644193070 390160036 /nfs/dbraw/zinc/16/00/36/390160036.db2.gz NQJFLXUFADJEPH-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000644193070 390160037 /nfs/dbraw/zinc/16/00/37/390160037.db2.gz NQJFLXUFADJEPH-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000644193072 390160205 /nfs/dbraw/zinc/16/02/05/390160205.db2.gz NQJFLXUFADJEPH-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000644193072 390160207 /nfs/dbraw/zinc/16/02/07/390160207.db2.gz NQJFLXUFADJEPH-VXGBXAGGSA-N 1 2 276.402 0.591 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000579314616 390161485 /nfs/dbraw/zinc/16/14/85/390161485.db2.gz NOVLSUOZYNLVQM-JTQLQIEISA-N 1 2 276.340 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000579314616 390161490 /nfs/dbraw/zinc/16/14/90/390161490.db2.gz NOVLSUOZYNLVQM-JTQLQIEISA-N 1 2 276.340 0.645 20 30 CCEDLO C=CCCS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647886920 390207765 /nfs/dbraw/zinc/20/77/65/390207765.db2.gz CYJXNOWZFZUFHQ-UHFFFAOYSA-N 1 2 274.386 0.156 20 30 CCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H](C)C#N)C2)CC1 ZINC000541019560 390234315 /nfs/dbraw/zinc/23/43/15/390234315.db2.gz KSPLMVAHAMSDSN-KBPBESRZSA-N 1 2 293.415 0.567 20 30 CCEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000495745678 390246570 /nfs/dbraw/zinc/24/65/70/390246570.db2.gz AZDHMHQAHMVIIH-LBPRGKRZSA-N 1 2 296.371 0.615 20 30 CCEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000495745678 390246571 /nfs/dbraw/zinc/24/65/71/390246571.db2.gz AZDHMHQAHMVIIH-LBPRGKRZSA-N 1 2 296.371 0.615 20 30 CCEDLO C[C@H](C#N)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000542877362 390275234 /nfs/dbraw/zinc/27/52/34/390275234.db2.gz LVHDMXHJSINHRA-LLVKDONJSA-N 1 2 276.344 0.397 20 30 CCEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000496366339 390348729 /nfs/dbraw/zinc/34/87/29/390348729.db2.gz TZAUNNLFENKQJD-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000496366339 390348731 /nfs/dbraw/zinc/34/87/31/390348731.db2.gz TZAUNNLFENKQJD-NSHDSACASA-N 1 2 282.344 0.179 20 30 CCEDLO C=CCn1cc(C(=O)NCCCCn2cc[nH+]c2)nn1 ZINC000648782398 390408287 /nfs/dbraw/zinc/40/82/87/390408287.db2.gz GFYFDWKDHCDPOY-UHFFFAOYSA-N 1 2 274.328 0.871 20 30 CCEDLO CC#CC[C@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000645407381 390422187 /nfs/dbraw/zinc/42/21/87/390422187.db2.gz TXQGIEHAVUXLNR-LLVKDONJSA-N 1 2 270.336 0.702 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000645453841 390429608 /nfs/dbraw/zinc/42/96/08/390429608.db2.gz SXJFRSBHWGDBOU-VXGBXAGGSA-N 1 2 276.340 0.271 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000554677642 390438842 /nfs/dbraw/zinc/43/88/42/390438842.db2.gz IYUQDFWCZVRRIC-LBPRGKRZSA-N 1 2 299.400 0.732 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000645162175 390379155 /nfs/dbraw/zinc/37/91/55/390379155.db2.gz XBPLOUCDGIZUMH-CYBMUJFWSA-N 1 2 266.345 0.220 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000645162175 390379158 /nfs/dbraw/zinc/37/91/58/390379158.db2.gz XBPLOUCDGIZUMH-CYBMUJFWSA-N 1 2 266.345 0.220 20 30 CCEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1(CC#N)CC1 ZINC000564586342 390495578 /nfs/dbraw/zinc/49/55/78/390495578.db2.gz QBPYKSFBABQBKY-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1(CC#N)CC1 ZINC000564586342 390495580 /nfs/dbraw/zinc/49/55/80/390495580.db2.gz QBPYKSFBABQBKY-UHFFFAOYSA-N 1 2 268.342 0.865 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000564564360 390495623 /nfs/dbraw/zinc/49/56/23/390495623.db2.gz ORXKPTCCKGDPGI-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000564564360 390495626 /nfs/dbraw/zinc/49/56/26/390495626.db2.gz ORXKPTCCKGDPGI-RDBSUJKOSA-N 1 2 297.399 0.597 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000555882358 390469164 /nfs/dbraw/zinc/46/91/64/390469164.db2.gz HGHVENUAKNECEU-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000555882358 390469167 /nfs/dbraw/zinc/46/91/67/390469167.db2.gz HGHVENUAKNECEU-LBPRGKRZSA-N 1 2 288.351 0.712 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)s1 ZINC000566428440 390603734 /nfs/dbraw/zinc/60/37/34/390603734.db2.gz GJCYTEJYDWQRPR-VIFPVBQESA-N 1 2 265.338 0.696 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)s1 ZINC000566428440 390603736 /nfs/dbraw/zinc/60/37/36/390603736.db2.gz GJCYTEJYDWQRPR-VIFPVBQESA-N 1 2 265.338 0.696 20 30 CCEDLO COC(=O)c1cccc(C[N@H+](C)CCNC(C)=O)c1C#N ZINC000567610254 390706486 /nfs/dbraw/zinc/70/64/86/390706486.db2.gz AHJDKEOCHJBJSS-UHFFFAOYSA-N 1 2 289.335 0.913 20 30 CCEDLO COC(=O)c1cccc(C[N@@H+](C)CCNC(C)=O)c1C#N ZINC000567610254 390706487 /nfs/dbraw/zinc/70/64/87/390706487.db2.gz AHJDKEOCHJBJSS-UHFFFAOYSA-N 1 2 289.335 0.913 20 30 CCEDLO COC(=O)[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569977493 390716846 /nfs/dbraw/zinc/71/68/46/390716846.db2.gz LNRDNVQMTHLBSD-JOYOIKCWSA-N 1 2 255.318 0.146 20 30 CCEDLO CCC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000570518772 390718848 /nfs/dbraw/zinc/71/88/48/390718848.db2.gz LEFZNOFJAKNFTG-DOMZBBRYSA-N 1 2 294.399 0.595 20 30 CCEDLO N#CCC1(O)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000526011674 390673044 /nfs/dbraw/zinc/67/30/44/390673044.db2.gz WIFHAYNWJAXYHU-UHFFFAOYSA-N 1 2 283.291 0.368 20 30 CCEDLO Cc1c[nH+]c(C)nc1N1CCN(C(=O)CC#N)CC1 ZINC000567290947 390692255 /nfs/dbraw/zinc/69/22/55/390692255.db2.gz QDMPKBDBNAOJEW-UHFFFAOYSA-N 1 2 259.313 0.656 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](F)C[C@H](O)C1 ZINC000528548134 390756705 /nfs/dbraw/zinc/75/67/05/390756705.db2.gz ACUCMRWUJDMPSH-HZSPNIEDSA-N 1 2 294.326 0.703 20 30 CCEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](F)C[C@H](O)C1 ZINC000528548134 390756706 /nfs/dbraw/zinc/75/67/06/390756706.db2.gz ACUCMRWUJDMPSH-HZSPNIEDSA-N 1 2 294.326 0.703 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000528628783 390764301 /nfs/dbraw/zinc/76/43/01/390764301.db2.gz MCKSEXMWXGXOKN-MNOVXSKESA-N 1 2 254.334 0.308 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+]([C@H](C)CCC#N)CCO1 ZINC000528628783 390764304 /nfs/dbraw/zinc/76/43/04/390764304.db2.gz MCKSEXMWXGXOKN-MNOVXSKESA-N 1 2 254.334 0.308 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000572782493 390803863 /nfs/dbraw/zinc/80/38/63/390803863.db2.gz OUQNIKQWOZZVIC-ZIAGYGMSSA-N 1 2 294.395 0.949 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnccn1 ZINC000530335461 390876368 /nfs/dbraw/zinc/87/63/68/390876368.db2.gz RQVOSEFRPYVHDH-LLVKDONJSA-N 1 2 273.340 0.859 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnccn1 ZINC000530335461 390876370 /nfs/dbraw/zinc/87/63/70/390876370.db2.gz RQVOSEFRPYVHDH-LLVKDONJSA-N 1 2 273.340 0.859 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nccc(C#N)n2)C1 ZINC000450536322 533509266 /nfs/dbraw/zinc/50/92/66/533509266.db2.gz AJHHOTXOHYHOGC-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nccc(C#N)n2)C1 ZINC000450536322 533509271 /nfs/dbraw/zinc/50/92/71/533509271.db2.gz AJHHOTXOHYHOGC-LLVKDONJSA-N 1 2 289.339 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000448905589 533601238 /nfs/dbraw/zinc/60/12/38/533601238.db2.gz BUBNAGRGCXMCCU-SNVBAGLBSA-N 1 2 276.340 0.645 20 30 CCEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000448905589 533601245 /nfs/dbraw/zinc/60/12/45/533601245.db2.gz BUBNAGRGCXMCCU-SNVBAGLBSA-N 1 2 276.340 0.645 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000263785141 131330785 /nfs/dbraw/zinc/33/07/85/131330785.db2.gz WGWQUBXCISSGBL-LBPRGKRZSA-N 1 2 266.341 0.353 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000263785141 131330787 /nfs/dbraw/zinc/33/07/87/131330787.db2.gz WGWQUBXCISSGBL-LBPRGKRZSA-N 1 2 266.341 0.353 20 30 CCEDLO N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000960314040 649853292 /nfs/dbraw/zinc/85/32/92/649853292.db2.gz HWZUJWCLDNQOMI-CZUORRHYSA-N 1 2 295.346 0.848 20 30 CCEDLO C=CCOCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658465244 413153442 /nfs/dbraw/zinc/15/34/42/413153442.db2.gz YJWKAGUAYBQRLB-UHFFFAOYSA-N 1 2 295.383 0.002 20 30 CCEDLO N#Cc1cnccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000548480497 286041467 /nfs/dbraw/zinc/04/14/67/286041467.db2.gz PLMOGJDNYGDDOR-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO CN(C)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000552406597 286165266 /nfs/dbraw/zinc/16/52/66/286165266.db2.gz FSLSOGXYPJOAAA-UHFFFAOYSA-N 1 2 273.340 0.163 20 30 CCEDLO C[C@H](C(=O)N1CCSC[C@@H]1C#N)[NH+]1CCSCC1 ZINC000335959752 298068919 /nfs/dbraw/zinc/06/89/19/298068919.db2.gz YTKCXVMDCMCCLS-MNOVXSKESA-N 1 2 285.438 0.891 20 30 CCEDLO C=CCOCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652087743 411986555 /nfs/dbraw/zinc/98/65/55/411986555.db2.gz SDXMLFCLTFNFBX-GFCCVEGCSA-N 1 2 293.367 0.360 20 30 CCEDLO O=C(C#Cc1ccccc1)NCC[NH+]1CCOCC1 ZINC000020441610 171204610 /nfs/dbraw/zinc/20/46/10/171204610.db2.gz BOTFFPINPFHPHD-UHFFFAOYSA-N 1 2 258.321 0.487 20 30 CCEDLO C=CCCn1cc(C[NH+]2CCC(CC(N)=O)CC2)nn1 ZINC000653497795 412308003 /nfs/dbraw/zinc/30/80/03/412308003.db2.gz YNWGGCUYXYPGBH-UHFFFAOYSA-N 1 2 277.372 0.942 20 30 CCEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccn1 ZINC000285662593 196359093 /nfs/dbraw/zinc/35/90/93/196359093.db2.gz OZLPFWLSRZMGID-ZDUSSCGKSA-N 1 2 262.313 0.058 20 30 CCEDLO C=CCOCC[NH+]1CCN(c2ncns2)CC1 ZINC000660706331 414452616 /nfs/dbraw/zinc/45/26/16/414452616.db2.gz OCYURLZGXBEIHM-UHFFFAOYSA-N 1 2 254.359 0.863 20 30 CCEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000665626357 416468257 /nfs/dbraw/zinc/46/82/57/416468257.db2.gz WCDBQCCLLMYUNY-HNNXBMFYSA-N 1 2 275.352 0.663 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000347065607 226012441 /nfs/dbraw/zinc/01/24/41/226012441.db2.gz JRAFLLHGULDPIP-LLVKDONJSA-N 1 2 274.324 0.694 20 30 CCEDLO N#CCC[C@H](C#N)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354605053 227047495 /nfs/dbraw/zinc/04/74/95/227047495.db2.gz WIVQRWXOZXKEHD-CYBMUJFWSA-N 1 2 272.356 0.971 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)NCC(C)(C)C#N)[NH+]1CCOCC1 ZINC000352826566 227294945 /nfs/dbraw/zinc/29/49/45/227294945.db2.gz KEQWSCAMEQYUME-NWDGAFQWSA-N 1 2 282.388 0.945 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000330306221 228121784 /nfs/dbraw/zinc/12/17/84/228121784.db2.gz RIBPPZUXWIRCQP-NEPJUHHUSA-N 1 2 271.361 0.247 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cnccn1 ZINC000329563732 545023643 /nfs/dbraw/zinc/02/36/43/545023643.db2.gz NQTXCVXYKWYJGT-GFCCVEGCSA-N 1 2 293.371 0.543 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)C3CC3)CC2)C1=O ZINC000520958861 261072653 /nfs/dbraw/zinc/07/26/53/261072653.db2.gz PQRMVVKKINGLQR-ZDUSSCGKSA-N 1 2 277.368 0.328 20 30 CCEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000490761957 261203643 /nfs/dbraw/zinc/20/36/43/261203643.db2.gz YIWYMHPCRYBFCN-LSDHHAIUSA-N 1 2 275.396 0.986 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CSC[C@@H](C)CO)CC1 ZINC000490800826 261210792 /nfs/dbraw/zinc/21/07/92/261210792.db2.gz WBSILXQRZDMGSH-LBPRGKRZSA-N 1 2 270.398 0.125 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000490996984 261290650 /nfs/dbraw/zinc/29/06/50/261290650.db2.gz QWDYQOJVWVPACN-OLZOCXBDSA-N 1 2 266.389 0.189 20 30 CCEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000490996984 261290651 /nfs/dbraw/zinc/29/06/51/261290651.db2.gz QWDYQOJVWVPACN-OLZOCXBDSA-N 1 2 266.389 0.189 20 30 CCEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491821786 262104445 /nfs/dbraw/zinc/10/44/45/262104445.db2.gz YSWZJQBSMCVSQC-OLZOCXBDSA-N 1 2 267.373 0.664 20 30 CCEDLO C#CCSCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364989992 262266218 /nfs/dbraw/zinc/26/62/18/262266218.db2.gz PKXCEWFASHUXJU-NSHDSACASA-N 1 2 263.366 0.928 20 30 CCEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907395 262350687 /nfs/dbraw/zinc/35/06/87/262350687.db2.gz ROCPDIHYBRAJQZ-SECBINFHSA-N 1 2 252.318 0.456 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000281824887 263072218 /nfs/dbraw/zinc/07/22/18/263072218.db2.gz UOQFYLCKXLBVTI-GFCCVEGCSA-N 1 2 299.400 0.541 20 30 CCEDLO COc1cccc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)c1 ZINC000282321918 263075995 /nfs/dbraw/zinc/07/59/95/263075995.db2.gz UGIRSBGZHWVUPP-JTQLQIEISA-N 1 2 265.269 0.441 20 30 CCEDLO CO/N=C/C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000283085050 263081171 /nfs/dbraw/zinc/08/11/71/263081171.db2.gz VYAWAGMJTZNDLV-IQGJIOQQSA-N 1 2 291.351 0.808 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299169081 263233652 /nfs/dbraw/zinc/23/36/52/263233652.db2.gz QPORLLVYJHKVJZ-NXEZZACHSA-N 1 2 252.318 0.478 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299169081 263233653 /nfs/dbraw/zinc/23/36/53/263233653.db2.gz QPORLLVYJHKVJZ-NXEZZACHSA-N 1 2 252.318 0.478 20 30 CCEDLO C=CCNC(=O)C[NH+](CC(=O)NCC=C)CC1CC1 ZINC000119751648 263276431 /nfs/dbraw/zinc/27/64/31/263276431.db2.gz HGNLUSQUCHUVEJ-UHFFFAOYSA-N 1 2 265.357 0.303 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000042950921 263291011 /nfs/dbraw/zinc/29/10/11/263291011.db2.gz IUCKWSPEHVLFSY-LLVKDONJSA-N 1 2 254.334 0.120 20 30 CCEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000121481439 263294674 /nfs/dbraw/zinc/29/46/74/263294674.db2.gz INGKGNXJUWYCLD-UHFFFAOYSA-N 1 2 297.380 0.699 20 30 CCEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000121481439 263294676 /nfs/dbraw/zinc/29/46/76/263294676.db2.gz INGKGNXJUWYCLD-UHFFFAOYSA-N 1 2 297.380 0.699 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000341476410 263341336 /nfs/dbraw/zinc/34/13/36/263341336.db2.gz UOMSXCJNNLFIQI-UHFFFAOYSA-N 1 2 285.351 0.377 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000341860538 263356754 /nfs/dbraw/zinc/35/67/54/263356754.db2.gz RKCWHPUDPMUPSG-OLZOCXBDSA-N 1 2 285.388 0.191 20 30 CCEDLO COCC1(C#N)CC[NH+](CC(=O)NC(C)C)CC1 ZINC000341968121 263371963 /nfs/dbraw/zinc/37/19/63/263371963.db2.gz AITPNLHTXULQLB-UHFFFAOYSA-N 1 2 253.346 0.763 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177261 263828884 /nfs/dbraw/zinc/82/88/84/263828884.db2.gz WBSQXRWGWJIYPU-QWRGUYRKSA-N 1 2 283.372 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000049177261 263828886 /nfs/dbraw/zinc/82/88/86/263828886.db2.gz WBSQXRWGWJIYPU-QWRGUYRKSA-N 1 2 283.372 0.886 20 30 CCEDLO CC(C)[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330720767 264024321 /nfs/dbraw/zinc/02/43/21/264024321.db2.gz GGJDAGZLOAGBAU-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CC(C)[C@@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330720767 264024322 /nfs/dbraw/zinc/02/43/22/264024322.db2.gz GGJDAGZLOAGBAU-GFCCVEGCSA-N 1 2 287.404 0.618 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330728893 264035863 /nfs/dbraw/zinc/03/58/63/264035863.db2.gz GZRQBXLTJJSJMF-LLVKDONJSA-N 1 2 271.361 0.783 20 30 CCEDLO CCCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330728893 264035866 /nfs/dbraw/zinc/03/58/66/264035866.db2.gz GZRQBXLTJJSJMF-LLVKDONJSA-N 1 2 271.361 0.783 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)C[C@H](C)C#N ZINC000330796231 264040410 /nfs/dbraw/zinc/04/04/10/264040410.db2.gz XJHQXNJTSHLDHS-UTUOFQBUSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)C[C@H](C)C#N ZINC000330796231 264040411 /nfs/dbraw/zinc/04/04/11/264040411.db2.gz XJHQXNJTSHLDHS-UTUOFQBUSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](CCO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330886434 264063342 /nfs/dbraw/zinc/06/33/42/264063342.db2.gz MJYTZHBWTVVITP-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C[C@@H](CCO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330886434 264063343 /nfs/dbraw/zinc/06/33/43/264063343.db2.gz MJYTZHBWTVVITP-NSHDSACASA-N 1 2 273.377 0.372 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330905933 264074013 /nfs/dbraw/zinc/07/40/13/264074013.db2.gz NFAXCBWSVDSBBI-SWLSCSKDSA-N 1 2 292.383 0.942 20 30 CCEDLO CCN(C(=O)NCCC[N@@H+]1CCNC(=O)C1)C(C)C ZINC000330893584 264077995 /nfs/dbraw/zinc/07/79/95/264077995.db2.gz JKDRSSGDVJATIZ-UHFFFAOYSA-N 1 2 270.377 0.453 20 30 CCEDLO CCN(C(=O)NCCC[N@H+]1CCNC(=O)C1)C(C)C ZINC000330893584 264078002 /nfs/dbraw/zinc/07/80/02/264078002.db2.gz JKDRSSGDVJATIZ-UHFFFAOYSA-N 1 2 270.377 0.453 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000330948827 264085810 /nfs/dbraw/zinc/08/58/10/264085810.db2.gz JAZWLCYAUSSONO-GXTWGEPZSA-N 1 2 269.389 0.066 20 30 CCEDLO Cc1noc(C)c1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000330956622 264087498 /nfs/dbraw/zinc/08/74/98/264087498.db2.gz UWQRVPFCZFNWNY-AWEZNQCLSA-N 1 2 297.355 0.679 20 30 CCEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000331010505 264107068 /nfs/dbraw/zinc/10/70/68/264107068.db2.gz JCASLXHIJZHKMT-LLVKDONJSA-N 1 2 291.355 0.382 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000331194465 264158336 /nfs/dbraw/zinc/15/83/36/264158336.db2.gz MSGXSQVEVNSKEJ-OCCSQVGLSA-N 1 2 268.357 0.247 20 30 CCEDLO CC(C)n1cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cn1 ZINC000331241369 264177287 /nfs/dbraw/zinc/17/72/87/264177287.db2.gz NBQATCQOZMMVBK-ZDUSSCGKSA-N 1 2 296.371 0.462 20 30 CCEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCNC1=O ZINC000331309368 264186295 /nfs/dbraw/zinc/18/62/95/264186295.db2.gz UECZRCRVVWGZLQ-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCNC1=O ZINC000331309368 264186296 /nfs/dbraw/zinc/18/62/96/264186296.db2.gz UECZRCRVVWGZLQ-SMDDNHRTSA-N 1 2 280.372 0.251 20 30 CCEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000126253316 264210203 /nfs/dbraw/zinc/21/02/03/264210203.db2.gz SJOWPGWFQJHFND-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000126253316 264210206 /nfs/dbraw/zinc/21/02/06/264210206.db2.gz SJOWPGWFQJHFND-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000160228712 264237557 /nfs/dbraw/zinc/23/75/57/264237557.db2.gz YOMVHYYYNMHVBH-ZDUSSCGKSA-N 1 2 280.368 0.743 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000160228712 264237559 /nfs/dbraw/zinc/23/75/59/264237559.db2.gz YOMVHYYYNMHVBH-ZDUSSCGKSA-N 1 2 280.368 0.743 20 30 CCEDLO C#CCOc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127371365 264255358 /nfs/dbraw/zinc/25/53/58/264255358.db2.gz CQXRDRYFPJWDBY-UHFFFAOYSA-N 1 2 258.321 0.973 20 30 CCEDLO C#CCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127371365 264255360 /nfs/dbraw/zinc/25/53/60/264255360.db2.gz CQXRDRYFPJWDBY-UHFFFAOYSA-N 1 2 258.321 0.973 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000356544097 266134410 /nfs/dbraw/zinc/13/44/10/266134410.db2.gz ZZFDMFMEFVXJGL-AGIUHOORSA-N 1 2 282.388 0.897 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357680844 266346352 /nfs/dbraw/zinc/34/63/52/266346352.db2.gz XRCYYUJPXACQST-KBPBESRZSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357680844 266346354 /nfs/dbraw/zinc/34/63/54/266346354.db2.gz XRCYYUJPXACQST-KBPBESRZSA-N 1 2 282.384 0.541 20 30 CCEDLO C=C[C@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000358559700 266476787 /nfs/dbraw/zinc/47/67/87/266476787.db2.gz QGWQWEDZIFKDEZ-LLVKDONJSA-N 1 2 278.356 0.608 20 30 CCEDLO C=CCN(CCC#N)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359445334 266587442 /nfs/dbraw/zinc/58/74/42/266587442.db2.gz KLABVJXFXGJAPQ-GFCCVEGCSA-N 1 2 251.330 0.635 20 30 CCEDLO N#CCNC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559228 266846943 /nfs/dbraw/zinc/84/69/43/266846943.db2.gz OBWYFXVPORZAIQ-UHFFFAOYSA-N 1 2 271.320 0.879 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559228 266846946 /nfs/dbraw/zinc/84/69/46/266846946.db2.gz OBWYFXVPORZAIQ-UHFFFAOYSA-N 1 2 271.320 0.879 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000115573623 267099659 /nfs/dbraw/zinc/09/96/59/267099659.db2.gz KKEHKLKITZVBID-ZDUSSCGKSA-N 1 2 278.356 0.753 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000115573623 267099661 /nfs/dbraw/zinc/09/96/61/267099661.db2.gz KKEHKLKITZVBID-ZDUSSCGKSA-N 1 2 278.356 0.753 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000368838873 267209332 /nfs/dbraw/zinc/20/93/32/267209332.db2.gz PFJSADJNRWUPCC-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000368838873 267209335 /nfs/dbraw/zinc/20/93/35/267209335.db2.gz PFJSADJNRWUPCC-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3nccs3)C[C@H]21 ZINC000330351389 277130797 /nfs/dbraw/zinc/13/07/97/277130797.db2.gz MEMDBPATUZZUNF-ZJUUUORDSA-N 1 2 282.369 0.746 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3nccs3)C[C@H]21 ZINC000330351389 277130800 /nfs/dbraw/zinc/13/08/00/277130800.db2.gz MEMDBPATUZZUNF-ZJUUUORDSA-N 1 2 282.369 0.746 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408144380 290220248 /nfs/dbraw/zinc/22/02/48/290220248.db2.gz JSQJZTOJEYURTF-ZWNOBZJWSA-N 1 2 284.319 0.855 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408144380 290220252 /nfs/dbraw/zinc/22/02/52/290220252.db2.gz JSQJZTOJEYURTF-ZWNOBZJWSA-N 1 2 284.319 0.855 20 30 CCEDLO N#CC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000563497580 328070521 /nfs/dbraw/zinc/07/05/21/328070521.db2.gz ANEISMCIXGYIDG-SNVBAGLBSA-N 1 2 259.313 0.801 20 30 CCEDLO Cc1nccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000582789302 329202844 /nfs/dbraw/zinc/20/28/44/329202844.db2.gz VJUJLIUUTJAODO-AWEZNQCLSA-N 1 2 275.356 0.678 20 30 CCEDLO CC#CCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000185420806 329273297 /nfs/dbraw/zinc/27/32/97/329273297.db2.gz ACGKSGRQTBJNHL-CQSZACIVSA-N 1 2 265.401 0.932 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000330629702 328466361 /nfs/dbraw/zinc/46/63/61/328466361.db2.gz NKJNMRFGVAROAW-ZDUSSCGKSA-N 1 2 292.383 0.964 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000563715687 328492286 /nfs/dbraw/zinc/49/22/86/328492286.db2.gz LVKPFAWBOJCZTM-GWCFXTLKSA-N 1 2 266.345 0.005 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152302908 327257349 /nfs/dbraw/zinc/25/73/49/327257349.db2.gz UXZGHKLLHWLZEL-AVGNSLFASA-N 1 2 268.357 0.557 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152302908 327257350 /nfs/dbraw/zinc/25/73/50/327257350.db2.gz UXZGHKLLHWLZEL-AVGNSLFASA-N 1 2 268.357 0.557 20 30 CCEDLO C[C@H](CC(=O)N[C@@](C)(C#N)CN(C)C)n1cc[nH+]c1 ZINC000566308504 327298020 /nfs/dbraw/zinc/29/80/20/327298020.db2.gz HQQGPHGOYRTPGX-YPMHNXCESA-N 1 2 263.345 0.794 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nncn1C ZINC000358786523 328895168 /nfs/dbraw/zinc/89/51/68/328895168.db2.gz BUXQTZDCMZNRND-WDEREUQCSA-N 1 2 278.360 0.474 20 30 CCEDLO C=CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183723686 329249738 /nfs/dbraw/zinc/24/97/38/329249738.db2.gz JRHMACSADONHOM-UHFFFAOYSA-N 1 2 261.329 0.803 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000188938611 329375947 /nfs/dbraw/zinc/37/59/47/329375947.db2.gz GPTMQLMDMPCDAJ-KGLIPLIRSA-N 1 2 293.367 0.381 20 30 CCEDLO N#C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000188938611 329375948 /nfs/dbraw/zinc/37/59/48/329375948.db2.gz GPTMQLMDMPCDAJ-KGLIPLIRSA-N 1 2 293.367 0.381 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000189595838 329383834 /nfs/dbraw/zinc/38/38/34/329383834.db2.gz OKEVWEDGKSNQCS-NWDGAFQWSA-N 1 2 276.402 0.591 20 30 CCEDLO C=CCN(CCOC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000190430935 329396683 /nfs/dbraw/zinc/39/66/83/329396683.db2.gz GMECXDWXRWWNKK-UHFFFAOYSA-N 1 2 299.415 0.941 20 30 CCEDLO N#CCC1(O)C[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000429682255 330058896 /nfs/dbraw/zinc/05/88/96/330058896.db2.gz YDPIJPVMRZVRBU-LLVKDONJSA-N 1 2 282.365 0.586 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2ccnc(OC)n2)nn1 ZINC000424169366 330309353 /nfs/dbraw/zinc/30/93/53/330309353.db2.gz HZMRKRVHUSEBMI-UHFFFAOYSA-N 1 2 260.301 0.553 20 30 CCEDLO C=CCCn1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1 ZINC000424545756 330373254 /nfs/dbraw/zinc/37/32/54/330373254.db2.gz RGKYDMXZVAYRPJ-UHFFFAOYSA-N 1 2 274.328 0.860 20 30 CCEDLO C#CC[N@@H+](CC[C@@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120457729 330388097 /nfs/dbraw/zinc/38/80/97/330388097.db2.gz CFYHWRHOHWVWDV-VXGBXAGGSA-N 1 2 285.365 0.062 20 30 CCEDLO C#CC[N@H+](CC[C@@H]1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000120457729 330388098 /nfs/dbraw/zinc/38/80/98/330388098.db2.gz CFYHWRHOHWVWDV-VXGBXAGGSA-N 1 2 285.365 0.062 20 30 CCEDLO C[C@H]([C@H](C)NC(=O)[C@]1(C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000448913915 330888013 /nfs/dbraw/zinc/88/80/13/330888013.db2.gz ANJGOCLULWNTQW-CZXHOFHRSA-N 1 2 265.357 0.762 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451382293 331026537 /nfs/dbraw/zinc/02/65/37/331026537.db2.gz WALDEUKSIFLWPW-UHFFFAOYSA-N 1 2 262.313 0.525 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451382293 331026538 /nfs/dbraw/zinc/02/65/38/331026538.db2.gz WALDEUKSIFLWPW-UHFFFAOYSA-N 1 2 262.313 0.525 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)C[C@H]1C ZINC000451490183 331031290 /nfs/dbraw/zinc/03/12/90/331031290.db2.gz DCUUNOVDDVTSGT-BZPMIXESSA-N 1 2 265.357 0.715 20 30 CCEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458314070 331248181 /nfs/dbraw/zinc/24/81/81/331248181.db2.gz OPPHSZCGTIXYJG-BFHYXJOUSA-N 1 2 299.415 0.722 20 30 CCEDLO C=C(C)CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000459008162 331266099 /nfs/dbraw/zinc/26/60/99/331266099.db2.gz TVLWJSDRFFUBQJ-ZDUSSCGKSA-N 1 2 285.388 0.287 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488755270 332024387 /nfs/dbraw/zinc/02/43/87/332024387.db2.gz SCOTUHKMVSXIBN-ZDUSSCGKSA-N 1 2 294.399 0.366 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488755270 332024388 /nfs/dbraw/zinc/02/43/88/332024388.db2.gz SCOTUHKMVSXIBN-ZDUSSCGKSA-N 1 2 294.399 0.366 20 30 CCEDLO C#CC[N@@H+](CC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490738733 332110085 /nfs/dbraw/zinc/11/00/85/332110085.db2.gz CSYFHCABXHOHOV-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CC[N@H+](CC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000490738733 332110087 /nfs/dbraw/zinc/11/00/87/332110087.db2.gz CSYFHCABXHOHOV-QWHCGFSZSA-N 1 2 271.382 0.678 20 30 CCEDLO C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000490818789 332116578 /nfs/dbraw/zinc/11/65/78/332116578.db2.gz BLTUJVMJAMPUDQ-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000490818789 332116579 /nfs/dbraw/zinc/11/65/79/332116579.db2.gz BLTUJVMJAMPUDQ-ZDUSSCGKSA-N 1 2 250.342 0.721 20 30 CCEDLO C#CCN(Cc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000490842187 332120081 /nfs/dbraw/zinc/12/00/81/332120081.db2.gz ZTAHZLWGZIRKPD-NSHDSACASA-N 1 2 267.354 0.042 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cn2ncn(C)c2=S)CC1 ZINC000491068949 332145332 /nfs/dbraw/zinc/14/53/32/332145332.db2.gz SJNDFVOYDAXDHL-UHFFFAOYSA-N 1 2 293.396 0.370 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000491072548 332146962 /nfs/dbraw/zinc/14/69/62/332146962.db2.gz SSJMSYBSBMEVTF-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000491072548 332146964 /nfs/dbraw/zinc/14/69/64/332146964.db2.gz SSJMSYBSBMEVTF-AWEZNQCLSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C1CC1 ZINC000491232054 332171393 /nfs/dbraw/zinc/17/13/93/332171393.db2.gz XSGNILPLCAFSMM-ZDUSSCGKSA-N 1 2 266.341 0.398 20 30 CCEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C1CC1 ZINC000491232054 332171395 /nfs/dbraw/zinc/17/13/95/332171395.db2.gz XSGNILPLCAFSMM-ZDUSSCGKSA-N 1 2 266.341 0.398 20 30 CCEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000491361347 332196977 /nfs/dbraw/zinc/19/69/77/332196977.db2.gz KVRDVSKYWCHFDO-SECBINFHSA-N 1 2 251.286 0.097 20 30 CCEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000491361347 332196978 /nfs/dbraw/zinc/19/69/78/332196978.db2.gz KVRDVSKYWCHFDO-SECBINFHSA-N 1 2 251.286 0.097 20 30 CCEDLO C#CCN(C(=O)C(=O)NCc1[nH+]ccn1C)C1CCCC1 ZINC000491568527 332239925 /nfs/dbraw/zinc/23/99/25/332239925.db2.gz QWRAYTSXBFFNER-UHFFFAOYSA-N 1 2 288.351 0.441 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491666950 332275378 /nfs/dbraw/zinc/27/53/78/332275378.db2.gz KIZRSLWFLSNMGB-GFCCVEGCSA-N 1 2 298.302 0.133 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)C[C@](C)(O)C(C)=O)n1 ZINC000491671903 332278729 /nfs/dbraw/zinc/27/87/29/332278729.db2.gz QZBYVVZJMGBBOP-AWEZNQCLSA-N 1 2 263.341 0.678 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)C[C@](C)(O)C(C)=O)n1 ZINC000491671903 332278730 /nfs/dbraw/zinc/27/87/30/332278730.db2.gz QZBYVVZJMGBBOP-AWEZNQCLSA-N 1 2 263.341 0.678 20 30 CCEDLO C#C[C@@H]1COCCN1CC(C)C[N@@H+]1CCOC[C@H]1C#C ZINC000491683550 332285861 /nfs/dbraw/zinc/28/58/61/332285861.db2.gz ZQIIMCRFGPVXRI-HZPDHXFCSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H]1COCCN1CC(C)C[N@H+]1CCOC[C@H]1C#C ZINC000491683550 332285862 /nfs/dbraw/zinc/28/58/62/332285862.db2.gz ZQIIMCRFGPVXRI-HZPDHXFCSA-N 1 2 276.380 0.291 20 30 CCEDLO C#C[C@@H](CC)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000491699879 332294590 /nfs/dbraw/zinc/29/45/90/332294590.db2.gz VBZDDSNAYSNLSW-JTQLQIEISA-N 1 2 270.358 0.039 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000491710604 332302476 /nfs/dbraw/zinc/30/24/76/332302476.db2.gz UQMABJURXCKMAF-CYBMUJFWSA-N 1 2 299.365 0.741 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccc3C)n2C)CC1 ZINC000491715006 332305525 /nfs/dbraw/zinc/30/55/25/332305525.db2.gz OOBSEHRAQPVZGV-UHFFFAOYSA-N 1 2 296.378 0.941 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000491776272 332341911 /nfs/dbraw/zinc/34/19/11/332341911.db2.gz GIDNSHLFNSSSFY-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000491776272 332341912 /nfs/dbraw/zinc/34/19/12/332341912.db2.gz GIDNSHLFNSSSFY-AWEZNQCLSA-N 1 2 293.411 0.263 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/[C@@H]1CCOC1 ZINC000493725194 332451476 /nfs/dbraw/zinc/45/14/76/332451476.db2.gz POJTVHNSKKBMPR-FVKZJRLBSA-N 1 2 251.330 0.539 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000521115950 333111915 /nfs/dbraw/zinc/11/19/15/333111915.db2.gz BWYAJDBBTPNCLR-NSHDSACASA-N 1 2 288.307 0.326 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000192223345 333232725 /nfs/dbraw/zinc/23/27/25/333232725.db2.gz OACVUYUECISBJD-UHFFFAOYSA-N 1 2 285.303 0.416 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000192223345 333232727 /nfs/dbraw/zinc/23/27/27/333232727.db2.gz OACVUYUECISBJD-UHFFFAOYSA-N 1 2 285.303 0.416 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000192219643 333232825 /nfs/dbraw/zinc/23/28/25/333232825.db2.gz LIVCKWYPYJSXLI-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000192219643 333232826 /nfs/dbraw/zinc/23/28/26/333232826.db2.gz LIVCKWYPYJSXLI-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078498808 334134989 /nfs/dbraw/zinc/13/49/89/334134989.db2.gz MPMRPNNGDALUTJ-HNNXBMFYSA-N 1 2 287.363 0.820 20 30 CCEDLO C#CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078498808 334134990 /nfs/dbraw/zinc/13/49/90/334134990.db2.gz MPMRPNNGDALUTJ-HNNXBMFYSA-N 1 2 287.363 0.820 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000248332294 334298451 /nfs/dbraw/zinc/29/84/51/334298451.db2.gz FGFMFHCOCCYLHF-OLZOCXBDSA-N 1 2 265.357 0.906 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000248332294 334298453 /nfs/dbraw/zinc/29/84/53/334298453.db2.gz FGFMFHCOCCYLHF-OLZOCXBDSA-N 1 2 265.357 0.906 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000250103070 334342798 /nfs/dbraw/zinc/34/27/98/334342798.db2.gz ZQXNJOSGROATQF-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000250103070 334342800 /nfs/dbraw/zinc/34/28/00/334342800.db2.gz ZQXNJOSGROATQF-OLZOCXBDSA-N 1 2 270.373 0.493 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn2c(n1)CCC2 ZINC000567617659 334740935 /nfs/dbraw/zinc/74/09/35/334740935.db2.gz QIFFJBSOMJVUOX-ZDUSSCGKSA-N 1 2 261.329 0.403 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000576433419 335202733 /nfs/dbraw/zinc/20/27/33/335202733.db2.gz QABVTBWBEQHFLX-VIFPVBQESA-N 1 2 279.296 0.082 20 30 CCEDLO COC(=O)CN(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577067042 335294799 /nfs/dbraw/zinc/29/47/99/335294799.db2.gz WBNNQESJJQWWLG-JTQLQIEISA-N 1 2 264.285 0.359 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@]2(C)C[C@H]2F)c1C#N ZINC000577275944 335333442 /nfs/dbraw/zinc/33/34/42/335333442.db2.gz LQBQCYFYKRKVPJ-ZWNOBZJWSA-N 1 2 279.319 0.542 20 30 CCEDLO N#Cc1nc(N)n(Cc2c[nH+]c3ccccn23)c1C#N ZINC000179769700 335516168 /nfs/dbraw/zinc/51/61/68/335516168.db2.gz FEQIVXBXRIFABQ-UHFFFAOYSA-N 1 2 263.264 0.905 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC000580722973 335960182 /nfs/dbraw/zinc/96/01/82/335960182.db2.gz LNPROKKRNXLALK-VHSXEESVSA-N 1 2 270.333 0.129 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)nn1 ZINC000581603222 336110217 /nfs/dbraw/zinc/11/02/17/336110217.db2.gz OVFGGXLHVJEPDY-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)nn1 ZINC000581603222 336110218 /nfs/dbraw/zinc/11/02/18/336110218.db2.gz OVFGGXLHVJEPDY-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329109540 533828117 /nfs/dbraw/zinc/82/81/17/533828117.db2.gz IZKVCRSQOHWKHG-MQYQWHSLSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1C[C@H](CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329109540 533828126 /nfs/dbraw/zinc/82/81/26/533828126.db2.gz IZKVCRSQOHWKHG-MQYQWHSLSA-N 1 2 297.399 0.730 20 30 CCEDLO Cc1cc(NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C#N)c[nH+]1 ZINC000425233271 534033154 /nfs/dbraw/zinc/03/31/54/534033154.db2.gz GISKKQCCDYLHSE-JQWIXIFHSA-N 1 2 260.297 0.128 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000531121254 518180146 /nfs/dbraw/zinc/18/01/46/518180146.db2.gz OPKULXKRLSSVDK-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000531121254 518180147 /nfs/dbraw/zinc/18/01/47/518180147.db2.gz OPKULXKRLSSVDK-SNVBAGLBSA-N 1 2 262.313 0.337 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000342506151 534394458 /nfs/dbraw/zinc/39/44/58/534394458.db2.gz GWFIRFMQNQFOID-UHFFFAOYSA-N 1 2 273.340 0.339 20 30 CCEDLO O=C(NCC[NH+]1CCOCC1)c1cnn2ccncc12 ZINC000330087909 534752993 /nfs/dbraw/zinc/75/29/93/534752993.db2.gz NQFIAUAZQPFSBM-UHFFFAOYSA-N 1 2 275.312 0.366 20 30 CCEDLO N#Cc1ncn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000426353801 534832208 /nfs/dbraw/zinc/83/22/08/534832208.db2.gz QRAUYZUVXSPKEC-UHFFFAOYSA-N 1 2 293.290 0.974 20 30 CCEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000350457948 527093435 /nfs/dbraw/zinc/09/34/35/527093435.db2.gz IWAQRCQHPFAWTA-MNOVXSKESA-N 1 2 264.329 0.434 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332200740 527472588 /nfs/dbraw/zinc/47/25/88/527472588.db2.gz SLGKCHYNYZVELS-ZOBORPQBSA-N 1 2 295.383 0.444 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332200740 527472595 /nfs/dbraw/zinc/47/25/95/527472595.db2.gz SLGKCHYNYZVELS-ZOBORPQBSA-N 1 2 295.383 0.444 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102180137 527928937 /nfs/dbraw/zinc/92/89/37/527928937.db2.gz AGLKGDRDCKAHPZ-AWEZNQCLSA-N 1 2 295.387 0.127 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000102180137 527928943 /nfs/dbraw/zinc/92/89/43/527928943.db2.gz AGLKGDRDCKAHPZ-AWEZNQCLSA-N 1 2 295.387 0.127 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000332708411 528622358 /nfs/dbraw/zinc/62/23/58/528622358.db2.gz OCZRYRQWDRFNNZ-KBPBESRZSA-N 1 2 294.399 0.011 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000332708411 528622363 /nfs/dbraw/zinc/62/23/63/528622363.db2.gz OCZRYRQWDRFNNZ-KBPBESRZSA-N 1 2 294.399 0.011 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000675124311 545322180 /nfs/dbraw/zinc/32/21/80/545322180.db2.gz GLRICRRHCYQQOK-UHFFFAOYSA-N 1 2 276.340 0.616 20 30 CCEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000677047150 545357340 /nfs/dbraw/zinc/35/73/40/545357340.db2.gz VALQYTOWBGPTCR-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000677133004 545358165 /nfs/dbraw/zinc/35/81/65/545358165.db2.gz CAJVCJDASBKWON-UHFFFAOYSA-N 1 2 262.357 0.188 20 30 CCEDLO CCc1nc(CN2CC[NH+](CC#CCOC)CC2)no1 ZINC000677480366 545366479 /nfs/dbraw/zinc/36/64/79/545366479.db2.gz WZPYDEQVCOVINC-UHFFFAOYSA-N 1 2 278.356 0.399 20 30 CCEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000680636542 545434395 /nfs/dbraw/zinc/43/43/95/545434395.db2.gz KOGHPXYXMNFSJB-CQSZACIVSA-N 1 2 275.352 0.776 20 30 CCEDLO COCC#CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000683528870 545543617 /nfs/dbraw/zinc/54/36/17/545543617.db2.gz CIIHUKQPFFBDJN-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO COCC#CC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000683528870 545543620 /nfs/dbraw/zinc/54/36/20/545543620.db2.gz CIIHUKQPFFBDJN-GFCCVEGCSA-N 1 2 259.371 0.535 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000684762472 545733939 /nfs/dbraw/zinc/73/39/39/545733939.db2.gz DWCUHUKTDIXYIZ-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000684762472 545733941 /nfs/dbraw/zinc/73/39/41/545733941.db2.gz DWCUHUKTDIXYIZ-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO C#CCCS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000791420333 581221178 /nfs/dbraw/zinc/22/11/78/581221178.db2.gz LRKDYLSZIJDXAG-ZDUSSCGKSA-N 1 2 288.413 0.286 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779564383 581191849 /nfs/dbraw/zinc/19/18/49/581191849.db2.gz RJOIITGMAZTDCD-NWDGAFQWSA-N 1 2 295.339 0.522 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C)c2SC)CC1 ZINC000790634218 581192247 /nfs/dbraw/zinc/19/22/47/581192247.db2.gz SHTNZLCUBUCCDG-UHFFFAOYSA-N 1 2 278.381 0.533 20 30 CCEDLO N#CCCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000779584777 581193319 /nfs/dbraw/zinc/19/33/19/581193319.db2.gz XJBDEOVBAAVUIH-UHFFFAOYSA-N 1 2 287.367 0.229 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C)s1 ZINC000780754974 581244544 /nfs/dbraw/zinc/24/45/44/581244544.db2.gz IEECWOCGDXIFDA-JTQLQIEISA-N 1 2 264.354 0.560 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C)s1 ZINC000780754974 581244546 /nfs/dbraw/zinc/24/45/46/581244546.db2.gz IEECWOCGDXIFDA-JTQLQIEISA-N 1 2 264.354 0.560 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780928522 581249792 /nfs/dbraw/zinc/24/97/92/581249792.db2.gz HQSWSOFWXYEARK-ZDUSSCGKSA-N 1 2 270.292 0.642 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000726882215 581257725 /nfs/dbraw/zinc/25/77/25/581257725.db2.gz JBHGUTLGENWCGE-NSHDSACASA-N 1 2 267.329 0.244 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000726882215 581257726 /nfs/dbraw/zinc/25/77/26/581257726.db2.gz JBHGUTLGENWCGE-NSHDSACASA-N 1 2 267.329 0.244 20 30 CCEDLO C#CCNC(=O)C[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792374825 581260343 /nfs/dbraw/zinc/26/03/43/581260343.db2.gz CYSSEQUXAZRZBX-GFCCVEGCSA-N 1 2 268.357 0.790 20 30 CCEDLO C#CCNC(=O)C[N@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792374825 581260344 /nfs/dbraw/zinc/26/03/44/581260344.db2.gz CYSSEQUXAZRZBX-GFCCVEGCSA-N 1 2 268.357 0.790 20 30 CCEDLO N#CC1CC[NH+](CC(=O)NCc2ccccn2)CC1 ZINC000727830003 581334593 /nfs/dbraw/zinc/33/45/93/581334593.db2.gz QLDZJUGISGFRQY-UHFFFAOYSA-N 1 2 258.325 0.933 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000783616745 581353274 /nfs/dbraw/zinc/35/32/74/581353274.db2.gz QWDSCPASSKOQEJ-UHFFFAOYSA-N 1 2 288.413 0.435 20 30 CCEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000784850577 581396028 /nfs/dbraw/zinc/39/60/28/581396028.db2.gz ZNFQHFWKROJOQK-SECBINFHSA-N 1 2 270.292 0.719 20 30 CCEDLO CC#CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000784896001 581397303 /nfs/dbraw/zinc/39/73/03/581397303.db2.gz NJOJLEATVVTFLC-UHFFFAOYSA-N 1 2 283.291 0.345 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000787352299 581468754 /nfs/dbraw/zinc/46/87/54/581468754.db2.gz ZXJKLXCVKHCUTN-GFCCVEGCSA-N 1 2 250.342 0.721 20 30 CCEDLO CC(C)(C#N)CS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000787920530 581481190 /nfs/dbraw/zinc/48/11/90/581481190.db2.gz JBDUIAZATRNVBM-UHFFFAOYSA-N 1 2 271.386 0.646 20 30 CCEDLO C#CCOCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000753377809 581537529 /nfs/dbraw/zinc/53/75/29/581537529.db2.gz BRHFMZCTTOMBSI-UHFFFAOYSA-N 1 2 276.340 0.879 20 30 CCEDLO C[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)CCC#N ZINC000765993582 581545579 /nfs/dbraw/zinc/54/55/79/581545579.db2.gz OVRNFRRGFZWOJV-LBPRGKRZSA-N 1 2 297.428 0.708 20 30 CCEDLO N#CCCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766136598 581551802 /nfs/dbraw/zinc/55/18/02/581551802.db2.gz UAMKQXWOULCZPR-NSHDSACASA-N 1 2 293.289 0.651 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000734489031 581567757 /nfs/dbraw/zinc/56/77/57/581567757.db2.gz QUUKXNLUDRIDMZ-OAHLLOKOSA-N 1 2 299.374 0.863 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000734489031 581567760 /nfs/dbraw/zinc/56/77/60/581567760.db2.gz QUUKXNLUDRIDMZ-OAHLLOKOSA-N 1 2 299.374 0.863 20 30 CCEDLO N#CCSCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767479733 581615479 /nfs/dbraw/zinc/61/54/79/581615479.db2.gz PWAKWINHZPJSJY-PHIMTYICSA-N 1 2 270.354 0.650 20 30 CCEDLO N#CCSCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767479733 581615480 /nfs/dbraw/zinc/61/54/80/581615480.db2.gz PWAKWINHZPJSJY-PHIMTYICSA-N 1 2 270.354 0.650 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CC(OCC)OCC)CC1 ZINC000767757232 581629432 /nfs/dbraw/zinc/62/94/32/581629432.db2.gz HETCXDXQWKJHIJ-UHFFFAOYSA-N 1 2 299.415 0.305 20 30 CCEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(CC#N)CC2)C1(F)F ZINC000787771962 581641653 /nfs/dbraw/zinc/64/16/53/581641653.db2.gz ADEVMJBBOFSJMU-UWVGGRQHSA-N 1 2 273.283 0.182 20 30 CCEDLO NC(=[NH+]O[C@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000769878674 581712204 /nfs/dbraw/zinc/71/22/04/581712204.db2.gz PFSLQZKTABIRGI-VIFPVBQESA-N 1 2 253.689 0.865 20 30 CCEDLO C#CCNC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000758189053 581725550 /nfs/dbraw/zinc/72/55/50/581725550.db2.gz BDXPVFHBGZPTSG-UHFFFAOYSA-N 1 2 263.366 0.905 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741148938 581734000 /nfs/dbraw/zinc/73/40/00/581734000.db2.gz UKHVNOXZSJEARL-NSHDSACASA-N 1 2 297.355 0.416 20 30 CCEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741148938 581734003 /nfs/dbraw/zinc/73/40/03/581734003.db2.gz UKHVNOXZSJEARL-NSHDSACASA-N 1 2 297.355 0.416 20 30 CCEDLO N#CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382977 581748843 /nfs/dbraw/zinc/74/88/43/581748843.db2.gz KJJAFAQNZYMBCI-CYBMUJFWSA-N 1 2 260.293 0.954 20 30 CCEDLO N#CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382977 581748845 /nfs/dbraw/zinc/74/88/45/581748845.db2.gz KJJAFAQNZYMBCI-CYBMUJFWSA-N 1 2 260.293 0.954 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000742763528 581795155 /nfs/dbraw/zinc/79/51/55/581795155.db2.gz HSUQWXCSQCJDAA-MRXNPFEDSA-N 1 2 299.374 1.000 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)N(C)C ZINC000732073951 581800859 /nfs/dbraw/zinc/80/08/59/581800859.db2.gz FTBXELZUINXIGB-LBPRGKRZSA-N 1 2 265.357 0.021 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)N(C)C ZINC000732073951 581800861 /nfs/dbraw/zinc/80/08/61/581800861.db2.gz FTBXELZUINXIGB-LBPRGKRZSA-N 1 2 265.357 0.021 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)[C@@H](C)CC ZINC000743483133 581814354 /nfs/dbraw/zinc/81/43/54/581814354.db2.gz XQUFTFLSZCFQOI-KCQAQPDRSA-N 1 2 266.385 0.997 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)[C@@H](C)CC ZINC000743483133 581814358 /nfs/dbraw/zinc/81/43/58/581814358.db2.gz XQUFTFLSZCFQOI-KCQAQPDRSA-N 1 2 266.385 0.997 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772064862 581841471 /nfs/dbraw/zinc/84/14/71/581841471.db2.gz ZDLBZSLOLUXPID-MNOVXSKESA-N 1 2 286.397 0.658 20 30 CCEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772064862 581841472 /nfs/dbraw/zinc/84/14/72/581841472.db2.gz ZDLBZSLOLUXPID-MNOVXSKESA-N 1 2 286.397 0.658 20 30 CCEDLO C#Cc1ccc(C(=O)NCCc2c[nH+]cn2C)cn1 ZINC000773830985 581943172 /nfs/dbraw/zinc/94/31/72/581943172.db2.gz UKZAVLGYZCVMJQ-UHFFFAOYSA-N 1 2 254.293 0.769 20 30 CCEDLO C=CCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000748287752 581968129 /nfs/dbraw/zinc/96/81/29/581968129.db2.gz RWOMLWUFERVXTQ-UHFFFAOYSA-N 1 2 267.373 0.575 20 30 CCEDLO NC(=O)CNC(=S)N[NH+]=C1CCCNc2ccccc21 ZINC000774385213 581972037 /nfs/dbraw/zinc/97/20/37/581972037.db2.gz MOLYSFMSUFZZOV-UHFFFAOYSA-N 1 2 291.380 0.546 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[S@](C)=O ZINC000748373383 581972759 /nfs/dbraw/zinc/97/27/59/581972759.db2.gz YGGIRVUOBLHOBH-PZROIBLQSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[S@](C)=O ZINC000748373383 581972761 /nfs/dbraw/zinc/97/27/61/581972761.db2.gz YGGIRVUOBLHOBH-PZROIBLQSA-N 1 2 270.398 0.357 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000775331945 582019107 /nfs/dbraw/zinc/01/91/07/582019107.db2.gz WZTNAURTOFEVHQ-RWMBFGLXSA-N 1 2 273.336 0.743 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000775740672 582035692 /nfs/dbraw/zinc/03/56/92/582035692.db2.gz LSLHGKBVZKXTTM-UHFFFAOYSA-N 1 2 268.267 0.669 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000738324273 582037041 /nfs/dbraw/zinc/03/70/41/582037041.db2.gz PPBSNPNUPHFDHH-UHFFFAOYSA-N 1 2 259.309 0.780 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000738324273 582037042 /nfs/dbraw/zinc/03/70/42/582037042.db2.gz PPBSNPNUPHFDHH-UHFFFAOYSA-N 1 2 259.309 0.780 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1nnc2n1CCCC2)[C@@H]1CCCO1 ZINC000775800373 582040142 /nfs/dbraw/zinc/04/01/42/582040142.db2.gz OODZYPDUGPZZGS-NEPJUHHUSA-N 1 2 260.341 0.885 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(OC)CCOC1 ZINC000764452143 582047588 /nfs/dbraw/zinc/04/75/88/582047588.db2.gz CBGQIWLFLUZUTM-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(OC)CCOC1 ZINC000764452143 582047591 /nfs/dbraw/zinc/04/75/91/582047591.db2.gz CBGQIWLFLUZUTM-GXTWGEPZSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000776020134 582049431 /nfs/dbraw/zinc/04/94/31/582049431.db2.gz SZPPFQUZHRUZTQ-LBPRGKRZSA-N 1 2 276.340 0.983 20 30 CCEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C1CC1 ZINC000750879691 582062404 /nfs/dbraw/zinc/06/24/04/582062404.db2.gz VZJWXOYRYUOARK-DOMZBBRYSA-N 1 2 299.378 0.644 20 30 CCEDLO C#CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875316730 612981724 /nfs/dbraw/zinc/98/17/24/612981724.db2.gz HKYYNTIGNWDUKU-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO C#CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875316730 612981726 /nfs/dbraw/zinc/98/17/26/612981726.db2.gz HKYYNTIGNWDUKU-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCC#N ZINC000928649579 615477002 /nfs/dbraw/zinc/47/70/02/615477002.db2.gz SEICLOQMRGQHAO-LBPRGKRZSA-N 1 2 253.346 0.907 20 30 CCEDLO C#CCSCC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000887880947 613012487 /nfs/dbraw/zinc/01/24/87/613012487.db2.gz CSSGMBWVWKNQEA-CYBMUJFWSA-N 1 2 284.425 0.826 20 30 CCEDLO C#CCSCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928635350 613013080 /nfs/dbraw/zinc/01/30/80/613013080.db2.gz KNSRUOSTEJTPHC-LBPRGKRZSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268572 612948071 /nfs/dbraw/zinc/94/80/71/612948071.db2.gz LJBRWIKGWXLIRT-NXEZZACHSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268572 612948073 /nfs/dbraw/zinc/94/80/73/612948073.db2.gz LJBRWIKGWXLIRT-NXEZZACHSA-N 1 2 260.284 0.480 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)C(=O)OC ZINC000894985680 613071232 /nfs/dbraw/zinc/07/12/32/613071232.db2.gz MPJWUBOMMUXBND-OLZOCXBDSA-N 1 2 281.352 0.869 20 30 CCEDLO C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C[NH+]1CCOCC1 ZINC000852428250 613105016 /nfs/dbraw/zinc/10/50/16/613105016.db2.gz HCQRKWBYDMMGQO-AWEZNQCLSA-N 1 2 296.411 0.984 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC000848492653 613105936 /nfs/dbraw/zinc/10/59/36/613105936.db2.gz ACTPKNKZLIPKOQ-MNOVXSKESA-N 1 2 266.297 0.283 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC000848492653 613105937 /nfs/dbraw/zinc/10/59/37/613105937.db2.gz ACTPKNKZLIPKOQ-MNOVXSKESA-N 1 2 266.297 0.283 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907775334 613113067 /nfs/dbraw/zinc/11/30/67/613113067.db2.gz UPERYUUZIRAIPS-UKVQZPPCSA-N 1 2 250.342 0.745 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000857309274 612967304 /nfs/dbraw/zinc/96/73/04/612967304.db2.gz YMYIVJSKIBISJZ-ZIAGYGMSSA-N 1 2 276.380 0.875 20 30 CCEDLO C#CCC(CC#C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000857309274 612967307 /nfs/dbraw/zinc/96/73/07/612967307.db2.gz YMYIVJSKIBISJZ-ZIAGYGMSSA-N 1 2 276.380 0.875 20 30 CCEDLO CC(C)(CNN=C1C[N@@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000863108667 614112960 /nfs/dbraw/zinc/11/29/60/614112960.db2.gz OTKRRHFOTWAZDL-JTQLQIEISA-N 1 2 273.402 0.481 20 30 CCEDLO CC(C)(CNN=C1C[N@H+]2C[C@@H]1CCC2)S(C)(=O)=O ZINC000863108667 614112961 /nfs/dbraw/zinc/11/29/61/614112961.db2.gz OTKRRHFOTWAZDL-JTQLQIEISA-N 1 2 273.402 0.481 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939407145 617291060 /nfs/dbraw/zinc/29/10/60/617291060.db2.gz ZIKUPLHUWFUBGX-CMPLNLGQSA-N 1 2 289.339 0.171 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844473676 617297328 /nfs/dbraw/zinc/29/73/28/617297328.db2.gz KPDGJFJZGJPQCE-QJPTWQEYSA-N 1 2 254.330 0.793 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844473676 617297331 /nfs/dbraw/zinc/29/73/31/617297331.db2.gz KPDGJFJZGJPQCE-QJPTWQEYSA-N 1 2 254.330 0.793 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000931147928 612952536 /nfs/dbraw/zinc/95/25/36/612952536.db2.gz MFOQTGUNZXCVDI-UHFFFAOYSA-N 1 2 261.325 0.705 20 30 CCEDLO C#CC1(O)C[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000934448192 612960892 /nfs/dbraw/zinc/96/08/92/612960892.db2.gz ITMKEPLFJDQVDS-AWEZNQCLSA-N 1 2 284.359 0.829 20 30 CCEDLO C#CCC1(NC(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC000887346132 612969323 /nfs/dbraw/zinc/96/93/23/612969323.db2.gz RHECFWPKOFMOCR-UHFFFAOYSA-N 1 2 276.340 0.755 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000856387329 612988363 /nfs/dbraw/zinc/98/83/63/612988363.db2.gz AYSHHCROIZMUAW-CYBMUJFWSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000853619945 612989393 /nfs/dbraw/zinc/98/93/93/612989393.db2.gz OEJCIQKMGNGLRM-OAHLLOKOSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000853619945 612989394 /nfs/dbraw/zinc/98/93/94/612989394.db2.gz OEJCIQKMGNGLRM-OAHLLOKOSA-N 1 2 295.383 0.882 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000852751223 612989413 /nfs/dbraw/zinc/98/94/13/612989413.db2.gz TZEFMYXXVWFMFI-UHFFFAOYSA-N 1 2 274.324 0.494 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000852751223 612989414 /nfs/dbraw/zinc/98/94/14/612989414.db2.gz TZEFMYXXVWFMFI-UHFFFAOYSA-N 1 2 274.324 0.494 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3cccnc23)C1 ZINC000951114156 612992971 /nfs/dbraw/zinc/99/29/71/612992971.db2.gz RSWPCWGDJFHUON-UHFFFAOYSA-N 1 2 297.362 0.899 20 30 CCEDLO C#CCOc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819472970 613008292 /nfs/dbraw/zinc/00/82/92/613008292.db2.gz DPMFYORPHXZVDY-CQSZACIVSA-N 1 2 290.363 0.804 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC000957493678 613010424 /nfs/dbraw/zinc/01/04/24/613010424.db2.gz TUNPUOVACKZNQS-UHFFFAOYSA-N 1 2 278.331 0.649 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nnc(C3CC3)o2)CC1 ZINC000865920035 613011044 /nfs/dbraw/zinc/01/10/44/613011044.db2.gz NANRCVAUUDNEQI-UHFFFAOYSA-N 1 2 274.324 0.728 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000859031221 613034137 /nfs/dbraw/zinc/03/41/37/613034137.db2.gz GEUGSVQTPNWIHR-OLZOCXBDSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)NCc1c[nH+]cn1C ZINC000858464548 613035534 /nfs/dbraw/zinc/03/55/34/613035534.db2.gz MBFDDDLWJLDLMK-JTQLQIEISA-N 1 2 250.302 0.258 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868253903 613047145 /nfs/dbraw/zinc/04/71/45/613047145.db2.gz YUSCXWBNHGJFPL-UHFFFAOYSA-N 1 2 287.367 0.370 20 30 CCEDLO C#CC[C@H](CCOC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913348404 613048856 /nfs/dbraw/zinc/04/88/56/613048856.db2.gz MZMWIKZOJMJWKG-IKESIWSLSA-N 1 2 294.395 0.810 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000798385708 613056418 /nfs/dbraw/zinc/05/64/18/613056418.db2.gz XMJOFMYKWFWWSY-CYBMUJFWSA-N 1 2 278.356 0.737 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907978132 613060068 /nfs/dbraw/zinc/06/00/68/613060068.db2.gz NNCGYIYYQOZWTE-ZVHGMHCTSA-N 1 2 280.368 0.155 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000799078219 613062963 /nfs/dbraw/zinc/06/29/63/613062963.db2.gz AUALXBBJCNDAAT-LSDHHAIUSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000799078219 613062965 /nfs/dbraw/zinc/06/29/65/613062965.db2.gz AUALXBBJCNDAAT-LSDHHAIUSA-N 1 2 294.395 0.520 20 30 CCEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000843254188 613071609 /nfs/dbraw/zinc/07/16/09/613071609.db2.gz MWNBTYUJNLTCHG-ZDUSSCGKSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCn1ccc(CN(CC)c2nc(C)[nH+]c(N)n2)n1 ZINC000865736701 613078756 /nfs/dbraw/zinc/07/87/56/613078756.db2.gz NZYALPVYDKNIPM-UHFFFAOYSA-N 1 2 271.328 0.618 20 30 CCEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852262234 613080799 /nfs/dbraw/zinc/08/07/99/613080799.db2.gz HWKYFKURPZYAQW-NEPJUHHUSA-N 1 2 251.330 0.124 20 30 CCEDLO C#C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935464304 613082103 /nfs/dbraw/zinc/08/21/03/613082103.db2.gz VFAHABCNZBAEOX-UPJWGTAASA-N 1 2 266.341 0.004 20 30 CCEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935630125 613084324 /nfs/dbraw/zinc/08/43/24/613084324.db2.gz CKLLSHITZQCVTN-MJBXVCDLSA-N 1 2 280.368 0.394 20 30 CCEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C1CCOCC1 ZINC000851990708 613097635 /nfs/dbraw/zinc/09/76/35/613097635.db2.gz ZPJKSKYUUPLCBB-TZMCWYRMSA-N 1 2 290.367 0.999 20 30 CCEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000856106764 613098460 /nfs/dbraw/zinc/09/84/60/613098460.db2.gz ZEZDQMCGWOGGBV-DZGCQCFKSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000950658910 613110391 /nfs/dbraw/zinc/11/03/91/613110391.db2.gz YWKRJKUWWPEDKI-CYBMUJFWSA-N 1 2 286.379 0.611 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000838268631 613111160 /nfs/dbraw/zinc/11/11/60/613111160.db2.gz RVVJZUGEHUMXIJ-NWDGAFQWSA-N 1 2 259.309 0.306 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935675878 613114141 /nfs/dbraw/zinc/11/41/41/613114141.db2.gz XZFHUSDZTNJUPY-MJBXVCDLSA-N 1 2 280.368 0.346 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000941277067 613114779 /nfs/dbraw/zinc/11/47/79/613114779.db2.gz XQJKBVPFUNNTPZ-UHFFFAOYSA-N 1 2 267.348 0.196 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)C1 ZINC000941549682 613115153 /nfs/dbraw/zinc/11/51/53/613115153.db2.gz DMDSUIHJXWMNJC-UONOGXRCSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3C)CC2)C1 ZINC000941367512 613115527 /nfs/dbraw/zinc/11/55/27/613115527.db2.gz CMIOVNGUWGVIIS-UHFFFAOYSA-N 1 2 286.379 0.398 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)c(OC)co2)C1 ZINC000970158209 613118818 /nfs/dbraw/zinc/11/88/18/613118818.db2.gz PLGNDHORELKEMJ-SNVBAGLBSA-N 1 2 290.319 0.332 20 30 CCEDLO C#C[C@H](CC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852277847 613120293 /nfs/dbraw/zinc/12/02/93/613120293.db2.gz QTPMOJMNQFOYOT-OLZOCXBDSA-N 1 2 265.357 0.514 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCOCC1 ZINC000856101506 613145815 /nfs/dbraw/zinc/14/58/15/613145815.db2.gz UZXUPZDSXUOSHM-KGLIPLIRSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000851949685 613151036 /nfs/dbraw/zinc/15/10/36/613151036.db2.gz HOYOUCDSICMMRF-QWRGUYRKSA-N 1 2 284.337 0.197 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2csnn2)CC1 ZINC000981704680 613160453 /nfs/dbraw/zinc/16/04/53/613160453.db2.gz LBYQBWJUSAUZEB-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2csnn2)CC1 ZINC000981704680 613160455 /nfs/dbraw/zinc/16/04/55/613160455.db2.gz LBYQBWJUSAUZEB-UHFFFAOYSA-N 1 2 250.327 0.319 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000838268630 613161644 /nfs/dbraw/zinc/16/16/44/613161644.db2.gz RVVJZUGEHUMXIJ-NEPJUHHUSA-N 1 2 259.309 0.306 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000885508508 613175574 /nfs/dbraw/zinc/17/55/74/613175574.db2.gz HGARNFXVKUMRLS-LLVKDONJSA-N 1 2 256.371 0.556 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2(C)CC2)C1 ZINC000885508508 613175575 /nfs/dbraw/zinc/17/55/75/613175575.db2.gz HGARNFXVKUMRLS-LLVKDONJSA-N 1 2 256.371 0.556 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)nc1 ZINC000874702898 613178167 /nfs/dbraw/zinc/17/81/67/613178167.db2.gz PJUVKXPVHKLOSI-AWEZNQCLSA-N 1 2 287.363 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)nc1 ZINC000874702898 613178168 /nfs/dbraw/zinc/17/81/68/613178168.db2.gz PJUVKXPVHKLOSI-AWEZNQCLSA-N 1 2 287.363 0.904 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000890365558 613187485 /nfs/dbraw/zinc/18/74/85/613187485.db2.gz VZBFFZVBORJPDE-PWSUYJOCSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000890365558 613187487 /nfs/dbraw/zinc/18/74/87/613187487.db2.gz VZBFFZVBORJPDE-PWSUYJOCSA-N 1 2 290.371 0.571 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000829582324 613190881 /nfs/dbraw/zinc/19/08/81/613190881.db2.gz KPIYQVHITCIRNY-NSHDSACASA-N 1 2 259.309 0.202 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000829582324 613190883 /nfs/dbraw/zinc/19/08/83/613190883.db2.gz KPIYQVHITCIRNY-NSHDSACASA-N 1 2 259.309 0.202 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1cncs1 ZINC000913701635 613201533 /nfs/dbraw/zinc/20/15/33/613201533.db2.gz UVFUNNFEEPHUKQ-YPMHNXCESA-N 1 2 293.392 0.260 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1cncs1 ZINC000913701635 613201534 /nfs/dbraw/zinc/20/15/34/613201534.db2.gz UVFUNNFEEPHUKQ-YPMHNXCESA-N 1 2 293.392 0.260 20 30 CCEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cscn2)CC1 ZINC000852418512 613205681 /nfs/dbraw/zinc/20/56/81/613205681.db2.gz XBAMBMCXHMAWTH-GFCCVEGCSA-N 1 2 292.408 0.571 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2C)CC1 ZINC000842930349 613209961 /nfs/dbraw/zinc/20/99/61/613209961.db2.gz UQAGERQGPJUWAT-OLZOCXBDSA-N 1 2 289.383 0.463 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972224341 613212445 /nfs/dbraw/zinc/21/24/45/613212445.db2.gz LYCFYINCGRZUMO-CQSZACIVSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972224341 613212446 /nfs/dbraw/zinc/21/24/46/613212446.db2.gz LYCFYINCGRZUMO-CQSZACIVSA-N 1 2 250.342 0.723 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972337749 613212922 /nfs/dbraw/zinc/21/29/22/613212922.db2.gz AGTLUFZMTKMIOE-MRXNPFEDSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972337749 613212923 /nfs/dbraw/zinc/21/29/23/613212923.db2.gz AGTLUFZMTKMIOE-MRXNPFEDSA-N 1 2 287.363 0.575 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)C1 ZINC000972359823 613213203 /nfs/dbraw/zinc/21/32/03/613213203.db2.gz ZVCUCNDHKGASRB-SLEUVZQESA-N 1 2 298.333 0.824 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)C1 ZINC000972359823 613213205 /nfs/dbraw/zinc/21/32/05/613213205.db2.gz ZVCUCNDHKGASRB-SLEUVZQESA-N 1 2 298.333 0.824 20 30 CCEDLO C#Cc1cncc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC000913460294 613213659 /nfs/dbraw/zinc/21/36/59/613213659.db2.gz GXSZPADASDBNDH-OAHLLOKOSA-N 1 2 295.346 0.583 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504083 613219658 /nfs/dbraw/zinc/21/96/58/613219658.db2.gz DDRHCKQIUNWNFG-BXUZGUMPSA-N 1 2 287.363 0.757 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968504083 613219659 /nfs/dbraw/zinc/21/96/59/613219659.db2.gz DDRHCKQIUNWNFG-BXUZGUMPSA-N 1 2 287.363 0.757 20 30 CCEDLO CC(=CC(=O)NC1=NO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000901250413 613255190 /nfs/dbraw/zinc/25/51/90/613255190.db2.gz RHLHGFXEYKFKLI-PFEDMVJOSA-N 1 2 267.329 0.503 20 30 CCEDLO CC(=CC(=O)NC1=NO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000901250411 613255254 /nfs/dbraw/zinc/25/52/54/613255254.db2.gz RHLHGFXEYKFKLI-HUYFXPKMSA-N 1 2 267.329 0.503 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncn(C)n2)C1 ZINC000950019740 613297880 /nfs/dbraw/zinc/29/78/80/613297880.db2.gz LKOBNKFPTMGSDG-UHFFFAOYSA-N 1 2 263.345 0.538 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880050871 613330379 /nfs/dbraw/zinc/33/03/79/613330379.db2.gz GYNYBIFACLCCQA-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880050871 613330380 /nfs/dbraw/zinc/33/03/80/613330380.db2.gz GYNYBIFACLCCQA-NXEZZACHSA-N 1 2 278.274 0.778 20 30 CCEDLO C=C(C)CNC(=S)NC[C@H](C)[NH+]1CCOCC1 ZINC000914705558 613346818 /nfs/dbraw/zinc/34/68/18/613346818.db2.gz XWPCCIASNUNKMA-NSHDSACASA-N 1 2 257.403 0.747 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854217466 613353350 /nfs/dbraw/zinc/35/33/50/613353350.db2.gz NYJZOFBZMUVQQI-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)CONC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854217466 613353351 /nfs/dbraw/zinc/35/33/51/613353351.db2.gz NYJZOFBZMUVQQI-NWDGAFQWSA-N 1 2 271.361 0.903 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OC ZINC000870544579 613355645 /nfs/dbraw/zinc/35/56/45/613355645.db2.gz FPHIUBMAXDSLIF-MUBLQREKSA-N 1 2 296.367 0.499 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(=O)OC ZINC000913661106 613355860 /nfs/dbraw/zinc/35/58/60/613355860.db2.gz AWSALPVLVLZSBX-SNVBAGLBSA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CO)c1c[nH+]cn1C)OCC ZINC000898890317 613360211 /nfs/dbraw/zinc/36/02/11/613360211.db2.gz XHKXVOUZXPXRTR-WCQYABFASA-N 1 2 281.356 0.941 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000966130333 613377687 /nfs/dbraw/zinc/37/76/87/613377687.db2.gz GMCYAPGDRFNZSZ-ONGXEEELSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000966130333 613377688 /nfs/dbraw/zinc/37/76/88/613377688.db2.gz GMCYAPGDRFNZSZ-ONGXEEELSA-N 1 2 298.778 0.252 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300226 613388832 /nfs/dbraw/zinc/38/88/32/613388832.db2.gz RKPVYQSQPJYUNT-UWVGGRQHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300226 613388833 /nfs/dbraw/zinc/38/88/33/613388833.db2.gz RKPVYQSQPJYUNT-UWVGGRQHSA-N 1 2 287.747 0.380 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917909 613398858 /nfs/dbraw/zinc/39/88/58/613398858.db2.gz YRTYHONOAQEXBG-QWRGUYRKSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917909 613398859 /nfs/dbraw/zinc/39/88/59/613398859.db2.gz YRTYHONOAQEXBG-QWRGUYRKSA-N 1 2 268.313 0.631 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CCCF)C2)nn1 ZINC000952422519 613424992 /nfs/dbraw/zinc/42/49/92/613424992.db2.gz FWQKHNSKOMCDMT-UHFFFAOYSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981753384 613431583 /nfs/dbraw/zinc/43/15/83/613431583.db2.gz DEIBJPBQKLOCER-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981753384 613431586 /nfs/dbraw/zinc/43/15/86/613431586.db2.gz DEIBJPBQKLOCER-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981337281 613436575 /nfs/dbraw/zinc/43/65/75/613436575.db2.gz LPPADGGEXQDJAH-UHFFFAOYSA-N 1 2 290.367 0.307 20 30 CCEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981337281 613436576 /nfs/dbraw/zinc/43/65/76/613436576.db2.gz LPPADGGEXQDJAH-UHFFFAOYSA-N 1 2 290.367 0.307 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000956569508 613439153 /nfs/dbraw/zinc/43/91/53/613439153.db2.gz FGJKDCYRZYYWED-AWEZNQCLSA-N 1 2 293.411 0.964 20 30 CCEDLO C=C[C@@H](NCC[N@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000871937298 613449154 /nfs/dbraw/zinc/44/91/54/613449154.db2.gz CHLCZVOTDKEGOG-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@@H](NCC[N@@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000871937298 613449155 /nfs/dbraw/zinc/44/91/55/613449155.db2.gz CHLCZVOTDKEGOG-VXGBXAGGSA-N 1 2 256.346 0.414 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878680771 613461287 /nfs/dbraw/zinc/46/12/87/613461287.db2.gz UXJVHQYLTKEQQL-ZJUUUORDSA-N 1 2 260.359 0.564 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928652417 613480213 /nfs/dbraw/zinc/48/02/13/613480213.db2.gz YWICFHRFJBYCET-TZMCWYRMSA-N 1 2 270.373 0.541 20 30 CCEDLO C=C[C@H](CO)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912716756 613492229 /nfs/dbraw/zinc/49/22/29/613492229.db2.gz MIWDUNOQQMNNEA-CYBMUJFWSA-N 1 2 293.367 0.097 20 30 CCEDLO CC#CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000949557482 613562714 /nfs/dbraw/zinc/56/27/14/613562714.db2.gz HDEVKNOXGIYKOO-UHFFFAOYSA-N 1 2 260.341 0.441 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC000948703622 613563243 /nfs/dbraw/zinc/56/32/43/613563243.db2.gz SRLIBWLDQKOUPS-HUUCEWRRSA-N 1 2 294.395 0.596 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972368267 613571855 /nfs/dbraw/zinc/57/18/55/613571855.db2.gz SFHCVMDOFHTFBC-OAHLLOKOSA-N 1 2 288.351 0.350 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000972368267 613571857 /nfs/dbraw/zinc/57/18/57/613571857.db2.gz SFHCVMDOFHTFBC-OAHLLOKOSA-N 1 2 288.351 0.350 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(CCc2cn(C)c[nH+]2)C1=O ZINC000927524807 613591976 /nfs/dbraw/zinc/59/19/76/613591976.db2.gz CTGIXRLHXJDSDX-LLVKDONJSA-N 1 2 262.313 0.849 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298950 613592236 /nfs/dbraw/zinc/59/22/36/613592236.db2.gz LRSJMXJTGWYGOP-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298950 613592239 /nfs/dbraw/zinc/59/22/39/613592239.db2.gz LRSJMXJTGWYGOP-WDEREUQCSA-N 1 2 267.329 0.204 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)nn1 ZINC000883402239 613599071 /nfs/dbraw/zinc/59/90/71/613599071.db2.gz LPUAOTUMTPAGRY-ZDUSSCGKSA-N 1 2 289.383 0.955 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894365891 613652934 /nfs/dbraw/zinc/65/29/34/613652934.db2.gz GXUGCFONGVRYFF-NWDGAFQWSA-N 1 2 278.356 0.846 20 30 CCEDLO CC#CC[C@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894365891 613652936 /nfs/dbraw/zinc/65/29/36/613652936.db2.gz GXUGCFONGVRYFF-NWDGAFQWSA-N 1 2 278.356 0.846 20 30 CCEDLO CC(=[NH+]NC1=NCC(=O)N1)c1ccccc1N(C)C ZINC000863175963 613653928 /nfs/dbraw/zinc/65/39/28/613653928.db2.gz ZOWBRQHISKOLBS-UHFFFAOYSA-N 1 2 259.313 0.552 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC000952380529 613654923 /nfs/dbraw/zinc/65/49/23/613654923.db2.gz FHUYSJHKBUQKNW-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COc2cnn(C)c2)CC1 ZINC000949892171 613708081 /nfs/dbraw/zinc/70/80/81/613708081.db2.gz DMBPLAFCOMZXSI-UHFFFAOYSA-N 1 2 264.329 0.129 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCc2cncnc2)CC1 ZINC000949289644 613708394 /nfs/dbraw/zinc/70/83/94/613708394.db2.gz IFYQGFSEJRZGHZ-UHFFFAOYSA-N 1 2 260.341 0.739 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC000949494910 613710501 /nfs/dbraw/zinc/71/05/01/613710501.db2.gz XDTSACLNHVIPRL-ZDUSSCGKSA-N 1 2 278.356 0.438 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3c2nnn3C)CC1 ZINC000949888446 613717435 /nfs/dbraw/zinc/71/74/35/613717435.db2.gz JCNIWQMADRZOSN-UHFFFAOYSA-N 1 2 286.339 0.307 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC000957491016 613718712 /nfs/dbraw/zinc/71/87/12/613718712.db2.gz LZIHNAFSWXAUQM-UHFFFAOYSA-N 1 2 278.356 0.473 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1=O ZINC000863296354 613721128 /nfs/dbraw/zinc/72/11/28/613721128.db2.gz FHOZRNWSHUHUGJ-AWEZNQCLSA-N 1 2 297.355 0.131 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1=O ZINC000863296354 613721129 /nfs/dbraw/zinc/72/11/29/613721129.db2.gz FHOZRNWSHUHUGJ-AWEZNQCLSA-N 1 2 297.355 0.131 20 30 CCEDLO C=CCN1CCN(CN2CCn3c[nH+]cc3C2)C1=O ZINC000840072245 613722038 /nfs/dbraw/zinc/72/20/38/613722038.db2.gz BUFANSMRGRYDTR-UHFFFAOYSA-N 1 2 261.329 0.580 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3C)C2)C1 ZINC000972293862 613724361 /nfs/dbraw/zinc/72/43/61/613724361.db2.gz GGWVWDCCAYYECH-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3C)C2)C1 ZINC000972293862 613724363 /nfs/dbraw/zinc/72/43/63/613724363.db2.gz GGWVWDCCAYYECH-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000972344966 613724766 /nfs/dbraw/zinc/72/47/66/613724766.db2.gz YWUKWOKPXFAGSW-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000972344966 613724767 /nfs/dbraw/zinc/72/47/67/613724767.db2.gz YWUKWOKPXFAGSW-HNNXBMFYSA-N 1 2 290.367 0.523 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449494 613849866 /nfs/dbraw/zinc/84/98/66/613849866.db2.gz KQCMYMDVANKLLE-OCAPTIKFSA-N 1 2 259.256 0.195 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449494 613849867 /nfs/dbraw/zinc/84/98/67/613849867.db2.gz KQCMYMDVANKLLE-OCAPTIKFSA-N 1 2 259.256 0.195 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395413 613850868 /nfs/dbraw/zinc/85/08/68/613850868.db2.gz JXPFYHYAJUDYOC-SNVBAGLBSA-N 1 2 292.339 0.619 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933395413 613850870 /nfs/dbraw/zinc/85/08/70/613850870.db2.gz JXPFYHYAJUDYOC-SNVBAGLBSA-N 1 2 292.339 0.619 20 30 CCEDLO C=CCNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728230449 613857489 /nfs/dbraw/zinc/85/74/89/613857489.db2.gz WJSXGKXDGGRMRT-UHFFFAOYSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728230449 613857490 /nfs/dbraw/zinc/85/74/90/613857490.db2.gz WJSXGKXDGGRMRT-UHFFFAOYSA-N 1 2 257.403 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccn1 ZINC000884237471 613877355 /nfs/dbraw/zinc/87/73/55/613877355.db2.gz DEGIHYZVLDNEJY-LBPRGKRZSA-N 1 2 277.324 0.487 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000884461587 613877416 /nfs/dbraw/zinc/87/74/16/613877416.db2.gz ISTWRAMRPWHZIU-WOPDTQHZSA-N 1 2 279.340 0.584 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCO1 ZINC000884070542 613877436 /nfs/dbraw/zinc/87/74/36/613877436.db2.gz ORENUGBDMLIHPQ-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCO[C@@H](C)C1 ZINC000884122699 613877592 /nfs/dbraw/zinc/87/75/92/613877592.db2.gz XNDJGVLAXZNIKI-QWRGUYRKSA-N 1 2 270.329 0.070 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(O)(CC)CC1 ZINC000884381045 613877627 /nfs/dbraw/zinc/87/76/27/613877627.db2.gz SWHUVZOWXZXKEV-NSHDSACASA-N 1 2 284.356 0.197 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CC)C1 ZINC000884171731 613877879 /nfs/dbraw/zinc/87/78/79/613877879.db2.gz CNWITXSNJUAHOJ-MNOVXSKESA-N 1 2 254.330 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC000884104520 613878039 /nfs/dbraw/zinc/87/80/39/613878039.db2.gz OBLXLUSWJBBHSJ-UTUOFQBUSA-N 1 2 284.356 0.459 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC(C)(C)F ZINC000884406284 613878235 /nfs/dbraw/zinc/87/82/35/613878235.db2.gz PZHMXDHAZNCCLZ-VIFPVBQESA-N 1 2 260.309 0.687 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H]1OC ZINC000884308876 613878326 /nfs/dbraw/zinc/87/83/26/613878326.db2.gz GFPUILPHPAKKIP-WOPDTQHZSA-N 1 2 284.356 0.364 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)C(C)(C)C ZINC000884167222 613878354 /nfs/dbraw/zinc/87/83/54/613878354.db2.gz YNOOFENJIFZQOP-WDEREUQCSA-N 1 2 286.372 0.610 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1F ZINC000884459456 613878638 /nfs/dbraw/zinc/87/86/38/613878638.db2.gz DPARIIMKBZMUQC-GARJFASQSA-N 1 2 272.320 0.830 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000884313449 613878750 /nfs/dbraw/zinc/87/87/50/613878750.db2.gz FCTGQMYHIKVGRO-VWYCJHECSA-N 1 2 270.329 0.117 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(CC(C)C)c1 ZINC000884160171 613878976 /nfs/dbraw/zinc/87/89/76/613878976.db2.gz WIWRODCMCXIALZ-LBPRGKRZSA-N 1 2 294.355 0.924 20 30 CCEDLO C=CCOc1ccccc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913553764 613884735 /nfs/dbraw/zinc/88/47/35/613884735.db2.gz PDBVMPYLKIBQKT-CYBMUJFWSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccccc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913553764 613884736 /nfs/dbraw/zinc/88/47/36/613884736.db2.gz PDBVMPYLKIBQKT-CYBMUJFWSA-N 1 2 290.363 1.000 20 30 CCEDLO CC(C)OC1C[NH+](C[C@H](O)CN(C)CCC#N)C1 ZINC000899901089 614005898 /nfs/dbraw/zinc/00/58/98/614005898.db2.gz CZFKOKLHDZSTQT-GFCCVEGCSA-N 1 2 255.362 0.302 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865091099 614071625 /nfs/dbraw/zinc/07/16/25/614071625.db2.gz RRYPOWHXSPUAPR-CHWSQXEVSA-N 1 2 291.355 0.135 20 30 CCEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932381130 614187198 /nfs/dbraw/zinc/18/71/98/614187198.db2.gz OJHBSBOGYNCPRC-RDBSUJKOSA-N 1 2 295.383 0.531 20 30 CCEDLO CC(C)[NH+]1CC(NC(=O)[C@]2(C#N)CCCOC2)C1 ZINC000867525001 614317693 /nfs/dbraw/zinc/31/76/93/614317693.db2.gz SVNHMBJGFAQQEC-ZDUSSCGKSA-N 1 2 251.330 0.516 20 30 CCEDLO CC1(C)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C#N ZINC000867832451 614526900 /nfs/dbraw/zinc/52/69/00/614526900.db2.gz MZBILQZQDDQWND-QWRGUYRKSA-N 1 2 262.313 0.984 20 30 CCEDLO CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000951730635 614675782 /nfs/dbraw/zinc/67/57/82/614675782.db2.gz WXWQNRYDWRHHIF-LBPRGKRZSA-N 1 2 287.367 0.886 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000865152444 614718583 /nfs/dbraw/zinc/71/85/83/614718583.db2.gz NKQJSPPAMIMFHM-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1coc(C#N)c1 ZINC000865152444 614718585 /nfs/dbraw/zinc/71/85/85/614718585.db2.gz NKQJSPPAMIMFHM-UHFFFAOYSA-N 1 2 277.324 0.992 20 30 CCEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000849734268 615185179 /nfs/dbraw/zinc/18/51/79/615185179.db2.gz DDOKMUJGFQLQFX-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@H+]1CCO[C@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000849734268 615185180 /nfs/dbraw/zinc/18/51/80/615185180.db2.gz DDOKMUJGFQLQFX-NSHDSACASA-N 1 2 252.314 0.944 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000882763817 615326828 /nfs/dbraw/zinc/32/68/28/615326828.db2.gz AVFXSFAVLMULCT-VIFPVBQESA-N 1 2 269.326 0.524 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000882763817 615326831 /nfs/dbraw/zinc/32/68/31/615326831.db2.gz AVFXSFAVLMULCT-VIFPVBQESA-N 1 2 269.326 0.524 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000874702464 615566902 /nfs/dbraw/zinc/56/69/02/615566902.db2.gz LNDONDIKXMIPIZ-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000874702464 615566903 /nfs/dbraw/zinc/56/69/03/615566903.db2.gz LNDONDIKXMIPIZ-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cn(CC(=O)OC)nn1 ZINC000905086790 615630782 /nfs/dbraw/zinc/63/07/82/615630782.db2.gz YWJQAOXQKIYFKX-PLNGDYQASA-N 1 2 289.295 0.564 20 30 CCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](C)C#N ZINC000925588168 615715663 /nfs/dbraw/zinc/71/56/63/615715663.db2.gz OMDCCWFNWNHFFF-CHWSQXEVSA-N 1 2 282.388 0.898 20 30 CCEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@H](CC)O1 ZINC000817280859 615912309 /nfs/dbraw/zinc/91/23/09/615912309.db2.gz MXKCCLRXKUZKCB-TXEJJXNPSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@H](CC)O1 ZINC000817280859 615912314 /nfs/dbraw/zinc/91/23/14/615912314.db2.gz MXKCCLRXKUZKCB-TXEJJXNPSA-N 1 2 253.346 0.906 20 30 CCEDLO CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308066 616040346 /nfs/dbraw/zinc/04/03/46/616040346.db2.gz PZKKMFGDEYZSJT-NEPJUHHUSA-N 1 2 287.367 0.886 20 30 CCEDLO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](C#N)CCC#N ZINC000857241698 616113619 /nfs/dbraw/zinc/11/36/19/616113619.db2.gz HNEBNDXYJYWEDM-VIFPVBQESA-N 1 2 292.261 0.972 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2cccc(C#N)c2)[C@H](CO)C1 ZINC000912747010 616223811 /nfs/dbraw/zinc/22/38/11/616223811.db2.gz XFSYIQOSYRSLMA-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2cccc(C#N)c2)[C@H](CO)C1 ZINC000912747010 616223812 /nfs/dbraw/zinc/22/38/12/616223812.db2.gz XFSYIQOSYRSLMA-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](CO)C1 ZINC000912739806 616230229 /nfs/dbraw/zinc/23/02/29/616230229.db2.gz HTCSFIIYRYOZNW-HNNXBMFYSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](CO)C1 ZINC000912739806 616230230 /nfs/dbraw/zinc/23/02/30/616230230.db2.gz HTCSFIIYRYOZNW-HNNXBMFYSA-N 1 2 299.374 0.990 20 30 CCEDLO C[N@@H+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882328 616246854 /nfs/dbraw/zinc/24/68/54/616246854.db2.gz VCPZUVMHFKFPLA-SNVBAGLBSA-N 1 2 294.286 0.718 20 30 CCEDLO C[N@H+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894882328 616246855 /nfs/dbraw/zinc/24/68/55/616246855.db2.gz VCPZUVMHFKFPLA-SNVBAGLBSA-N 1 2 294.286 0.718 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033538 616708498 /nfs/dbraw/zinc/70/84/98/616708498.db2.gz WPHOITPZGJXSRP-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886033538 616708501 /nfs/dbraw/zinc/70/85/01/616708501.db2.gz WPHOITPZGJXSRP-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000886868058 616929274 /nfs/dbraw/zinc/92/92/74/616929274.db2.gz URBZKINFQNDLFO-SMDDNHRTSA-N 1 2 296.371 0.471 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000886868058 616929277 /nfs/dbraw/zinc/92/92/77/616929277.db2.gz URBZKINFQNDLFO-SMDDNHRTSA-N 1 2 296.371 0.471 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](O)C1(O)CCCC1 ZINC000929774557 616992654 /nfs/dbraw/zinc/99/26/54/616992654.db2.gz BQVNQOCAWBJBKF-GFCCVEGCSA-N 1 2 256.346 0.514 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](O)C1(O)CCCC1 ZINC000929774557 616992656 /nfs/dbraw/zinc/99/26/56/616992656.db2.gz BQVNQOCAWBJBKF-GFCCVEGCSA-N 1 2 256.346 0.514 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCNC(=O)C(F)(F)F ZINC000154865017 616992856 /nfs/dbraw/zinc/99/28/56/616992856.db2.gz LAOPBCBZYBYFMA-UHFFFAOYSA-N 1 2 281.278 0.917 20 30 CCEDLO COCC[N@H+](CCC#N)CCCNC(=O)C(F)(F)F ZINC000154865017 616992859 /nfs/dbraw/zinc/99/28/59/616992859.db2.gz LAOPBCBZYBYFMA-UHFFFAOYSA-N 1 2 281.278 0.917 20 30 CCEDLO COCC[N@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801935669 617023542 /nfs/dbraw/zinc/02/35/42/617023542.db2.gz CAKIVMMJEPQRMJ-RYUDHWBXSA-N 1 2 290.385 0.051 20 30 CCEDLO COCC[N@@H+](CCO[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000801935669 617023545 /nfs/dbraw/zinc/02/35/45/617023545.db2.gz CAKIVMMJEPQRMJ-RYUDHWBXSA-N 1 2 290.385 0.051 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892237931 617034233 /nfs/dbraw/zinc/03/42/33/617034233.db2.gz UHHSVCUSJXQVEU-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892237931 617034237 /nfs/dbraw/zinc/03/42/37/617034237.db2.gz UHHSVCUSJXQVEU-LLVKDONJSA-N 1 2 285.394 0.743 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001023757661 623131907 /nfs/dbraw/zinc/13/19/07/623131907.db2.gz LYQYQTFSPAARAX-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001023757661 623131915 /nfs/dbraw/zinc/13/19/15/623131915.db2.gz LYQYQTFSPAARAX-CHWSQXEVSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C=C ZINC001017968733 623638393 /nfs/dbraw/zinc/63/83/93/623638393.db2.gz WCGNCLZASKXKSO-BARDWOONSA-N 1 2 274.364 0.886 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C=C ZINC001017968733 623638396 /nfs/dbraw/zinc/63/83/96/623638396.db2.gz WCGNCLZASKXKSO-BARDWOONSA-N 1 2 274.364 0.886 20 30 CCEDLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000970407715 624684414 /nfs/dbraw/zinc/68/44/14/624684414.db2.gz NTXJRMCIFRIWAW-ZYHUDNBSSA-N 1 2 287.367 0.790 20 30 CCEDLO C#CCCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000160316650 624699119 /nfs/dbraw/zinc/69/91/19/624699119.db2.gz DAVQQFAKYFFMEJ-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000121357720 624853502 /nfs/dbraw/zinc/85/35/02/624853502.db2.gz QQCNKDLGQZJMFM-SNVBAGLBSA-N 1 2 265.313 0.993 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000980847760 631068490 /nfs/dbraw/zinc/06/84/90/631068490.db2.gz ISVFGSPHPRXXMC-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000980847760 631068495 /nfs/dbraw/zinc/06/84/95/631068495.db2.gz ISVFGSPHPRXXMC-GFCCVEGCSA-N 1 2 275.356 0.614 20 30 CCEDLO N#CCN1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298960 631265135 /nfs/dbraw/zinc/26/51/35/631265135.db2.gz VSRLUZYAEWMXFR-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO N#CCN1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298960 631265141 /nfs/dbraw/zinc/26/51/41/631265141.db2.gz VSRLUZYAEWMXFR-UHFFFAOYSA-N 1 2 261.329 0.400 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](NCC#N)C1 ZINC000981458358 631280364 /nfs/dbraw/zinc/28/03/64/631280364.db2.gz WUFOQCBGYQFXEX-RYUDHWBXSA-N 1 2 275.356 0.503 20 30 CCEDLO N#CCN1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472776 631281922 /nfs/dbraw/zinc/28/19/22/631281922.db2.gz SAUWCXHJLNZKMK-ZDUSSCGKSA-N 1 2 287.367 0.503 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000049451096 631900091 /nfs/dbraw/zinc/90/00/91/631900091.db2.gz IPQPRIZMORPPTI-UHFFFAOYSA-N 1 2 259.309 0.101 20 30 CCEDLO O=C1[C@H]([NH2+]Cc2cn3cccnc3n2)CCCN1O ZINC000895157359 631991121 /nfs/dbraw/zinc/99/11/21/631991121.db2.gz BSLRKZSSTHVXIY-SNVBAGLBSA-N 1 2 261.285 0.199 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2ncnn2C)CC1 ZINC000985339392 632440516 /nfs/dbraw/zinc/44/05/16/632440516.db2.gz UGEKMGJJLCXXPV-NSHDSACASA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2ncnn2C)CC1 ZINC000985339392 632440522 /nfs/dbraw/zinc/44/05/22/632440522.db2.gz UGEKMGJJLCXXPV-NSHDSACASA-N 1 2 290.371 0.398 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987340108 632858940 /nfs/dbraw/zinc/85/89/40/632858940.db2.gz DCKZAPQAHJIZTH-JQWIXIFHSA-N 1 2 261.329 0.065 20 30 CCEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987441117 632867719 /nfs/dbraw/zinc/86/77/19/632867719.db2.gz NZXFENJBNQOALV-DGCLKSJQSA-N 1 2 275.356 0.455 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008149642 650102968 /nfs/dbraw/zinc/10/29/68/650102968.db2.gz RVVXTNALPSZUOQ-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008149642 650102971 /nfs/dbraw/zinc/10/29/71/650102971.db2.gz RVVXTNALPSZUOQ-IUODEOHRSA-N 1 2 299.374 0.736 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)C2)C1 ZINC001008437539 650114289 /nfs/dbraw/zinc/11/42/89/650114289.db2.gz NUKUUMSBNYUYNX-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)C2)C1 ZINC001008437539 650114291 /nfs/dbraw/zinc/11/42/91/650114291.db2.gz NUKUUMSBNYUYNX-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001009352401 650143073 /nfs/dbraw/zinc/14/30/73/650143073.db2.gz KCNZLYGXPNYPPO-HNNXBMFYSA-N 1 2 299.374 0.276 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001009352401 650143075 /nfs/dbraw/zinc/14/30/75/650143075.db2.gz KCNZLYGXPNYPPO-HNNXBMFYSA-N 1 2 299.374 0.276 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001009526375 650146852 /nfs/dbraw/zinc/14/68/52/650146852.db2.gz YFENOTFHQLKRIY-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001009526375 650146856 /nfs/dbraw/zinc/14/68/56/650146856.db2.gz YFENOTFHQLKRIY-AWEZNQCLSA-N 1 2 274.368 0.795 20 30 CCEDLO CC#CCN(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908450963 635386255 /nfs/dbraw/zinc/38/62/55/635386255.db2.gz RCADVRDJOYPUTP-QBFSEMIESA-N 1 2 250.342 0.747 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)[C@@H]1C ZINC000994015531 637859939 /nfs/dbraw/zinc/85/99/39/637859939.db2.gz BOSCFWJKOQAEGN-QWRGUYRKSA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)[C@@H]1C ZINC000994015531 637859945 /nfs/dbraw/zinc/85/99/45/637859945.db2.gz BOSCFWJKOQAEGN-QWRGUYRKSA-N 1 2 263.345 0.964 20 30 CCEDLO N#CCC[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577179 637907140 /nfs/dbraw/zinc/90/71/40/637907140.db2.gz NMQDCLQABDWZDR-NEPJUHHUSA-N 1 2 265.269 0.492 20 30 CCEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1NCC#N ZINC000939642607 638385701 /nfs/dbraw/zinc/38/57/01/638385701.db2.gz LMCWGTGAWAGWCR-AAEUAGOBSA-N 1 2 275.356 0.313 20 30 CCEDLO C#C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000186105391 638797309 /nfs/dbraw/zinc/79/73/09/638797309.db2.gz OQMFYGJOFFJSLT-NSHDSACASA-N 1 2 253.346 0.418 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996512084 638820840 /nfs/dbraw/zinc/82/08/40/638820840.db2.gz AMNAGHHANHOCGE-GFCCVEGCSA-N 1 2 275.356 0.313 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](NCC#N)C(C)(C)C1 ZINC000996568096 638822604 /nfs/dbraw/zinc/82/26/04/638822604.db2.gz BOQGYLPNJATPOU-ZDUSSCGKSA-N 1 2 289.383 0.703 20 30 CCEDLO N#CCNC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996733085 638830481 /nfs/dbraw/zinc/83/04/81/638830481.db2.gz RESWVYGDWCOHNI-LBPRGKRZSA-N 1 2 287.367 0.550 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000998745302 638938289 /nfs/dbraw/zinc/93/82/89/638938289.db2.gz GRSCFUNSDKYDFG-UWVGGRQHSA-N 1 2 279.369 0.778 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999317121 638974237 /nfs/dbraw/zinc/97/42/37/638974237.db2.gz NIZALMCZBMJKEA-LBPRGKRZSA-N 1 2 261.329 0.446 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999317121 638974240 /nfs/dbraw/zinc/97/42/40/638974240.db2.gz NIZALMCZBMJKEA-LBPRGKRZSA-N 1 2 261.329 0.446 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001014598578 650465482 /nfs/dbraw/zinc/46/54/82/650465482.db2.gz XXUYRJQTWCJNEJ-LLVKDONJSA-N 1 2 296.330 0.360 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001014598578 650465484 /nfs/dbraw/zinc/46/54/84/650465484.db2.gz XXUYRJQTWCJNEJ-LLVKDONJSA-N 1 2 296.330 0.360 20 30 CCEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(C)n2)CC1 ZINC001001258687 639267881 /nfs/dbraw/zinc/26/78/81/639267881.db2.gz IXTKPTNVLJFUGA-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(C)n2)CC1 ZINC001001258687 639267888 /nfs/dbraw/zinc/26/78/88/639267888.db2.gz IXTKPTNVLJFUGA-UHFFFAOYSA-N 1 2 295.774 0.930 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014799008 650489985 /nfs/dbraw/zinc/48/99/85/650489985.db2.gz WPHJBUSTGWEHFW-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001014799008 650489987 /nfs/dbraw/zinc/48/99/87/650489987.db2.gz WPHJBUSTGWEHFW-GMTAPVOTSA-N 1 2 259.313 0.227 20 30 CCEDLO C#CC[NH+]1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001003576474 639571882 /nfs/dbraw/zinc/57/18/82/639571882.db2.gz ZSSWWHBLOGKUHK-UHFFFAOYSA-N 1 2 250.277 0.376 20 30 CCEDLO Cc1cc(NC(=O)C[N@@H+](C)CCO[C@H](C)C#N)no1 ZINC000801912626 640672935 /nfs/dbraw/zinc/67/29/35/640672935.db2.gz XROUQMMLTNTUAC-SNVBAGLBSA-N 1 2 266.301 0.782 20 30 CCEDLO Cc1cc(NC(=O)C[N@H+](C)CCO[C@H](C)C#N)no1 ZINC000801912626 640672942 /nfs/dbraw/zinc/67/29/42/640672942.db2.gz XROUQMMLTNTUAC-SNVBAGLBSA-N 1 2 266.301 0.782 20 30 CCEDLO Cc1cc(C#N)cc(N2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000804498973 640770163 /nfs/dbraw/zinc/77/01/63/640770163.db2.gz WRVXMMFFYIRTSR-HXUWFJFHSA-N 1 2 292.408 0.762 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NCCNc1ncccc1C#N ZINC000806585268 640792236 /nfs/dbraw/zinc/79/22/36/640792236.db2.gz OSHIIACTWHPADY-UHFFFAOYSA-N 1 2 284.323 0.458 20 30 CCEDLO Cc1noc(C)c1C[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000809575526 640899871 /nfs/dbraw/zinc/89/98/71/640899871.db2.gz GSDBYYHHDGLLRD-CYBMUJFWSA-N 1 2 278.356 0.684 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)c1 ZINC001015871083 650642470 /nfs/dbraw/zinc/64/24/70/650642470.db2.gz GYEDYKJZKQKAIY-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)c1 ZINC001015871083 650642471 /nfs/dbraw/zinc/64/24/71/650642471.db2.gz GYEDYKJZKQKAIY-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)c1 ZINC001015871083 650642476 /nfs/dbraw/zinc/64/24/76/650642476.db2.gz GYEDYKJZKQKAIY-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)c1 ZINC001015871083 650642479 /nfs/dbraw/zinc/64/24/79/650642479.db2.gz GYEDYKJZKQKAIY-CYBMUJFWSA-N 1 2 296.334 0.681 20 30 CCEDLO CC(C)C#CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000825974964 641914257 /nfs/dbraw/zinc/91/42/57/641914257.db2.gz HXFWCQFHPDVRMI-UHFFFAOYSA-N 1 2 290.367 0.813 20 30 CCEDLO Cc1nn(C)c(N2CC[NH+](CC[S@@](C)=O)CC2)c1C#N ZINC000828414765 642091606 /nfs/dbraw/zinc/09/16/06/642091606.db2.gz FCYJAXSJASQVNE-HXUWFJFHSA-N 1 2 295.412 0.101 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccn1 ZINC001017354433 650796111 /nfs/dbraw/zinc/79/61/11/650796111.db2.gz KVHFXDUAEYDQIF-OKILXGFUSA-N 1 2 272.352 0.582 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccn1 ZINC001017354433 650796115 /nfs/dbraw/zinc/79/61/15/650796115.db2.gz KVHFXDUAEYDQIF-OKILXGFUSA-N 1 2 272.352 0.582 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn[nH]1 ZINC001017429723 650801810 /nfs/dbraw/zinc/80/18/10/650801810.db2.gz JGCPENSKOGYMBW-BETUJISGSA-N 1 2 260.341 0.813 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn[nH]1 ZINC001017429723 650801812 /nfs/dbraw/zinc/80/18/12/650801812.db2.gz JGCPENSKOGYMBW-BETUJISGSA-N 1 2 260.341 0.813 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCO2 ZINC001017620722 650814293 /nfs/dbraw/zinc/81/42/93/650814293.db2.gz BSCRHZPAHBGTDT-TXEJJXNPSA-N 1 2 288.351 0.750 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCO2 ZINC001017620722 650814296 /nfs/dbraw/zinc/81/42/96/650814296.db2.gz BSCRHZPAHBGTDT-TXEJJXNPSA-N 1 2 288.351 0.750 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCF)c1 ZINC001017692873 650817919 /nfs/dbraw/zinc/81/79/19/650817919.db2.gz AIJHASCYDXGWMP-OKILXGFUSA-N 1 2 290.342 0.775 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCF)c1 ZINC001017692873 650817922 /nfs/dbraw/zinc/81/79/22/650817922.db2.gz AIJHASCYDXGWMP-OKILXGFUSA-N 1 2 290.342 0.775 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]nn1 ZINC001017964475 650837375 /nfs/dbraw/zinc/83/73/75/650837375.db2.gz BSRMKFYDTXEIDS-OKILXGFUSA-N 1 2 289.383 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]nn1 ZINC001017964475 650837377 /nfs/dbraw/zinc/83/73/77/650837377.db2.gz BSRMKFYDTXEIDS-OKILXGFUSA-N 1 2 289.383 0.989 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001017964475 650837379 /nfs/dbraw/zinc/83/73/79/650837379.db2.gz BSRMKFYDTXEIDS-OKILXGFUSA-N 1 2 289.383 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn[nH]1 ZINC001017964475 650837383 /nfs/dbraw/zinc/83/73/83/650837383.db2.gz BSRMKFYDTXEIDS-OKILXGFUSA-N 1 2 289.383 0.989 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC(=O)N1C ZINC001018228114 650848870 /nfs/dbraw/zinc/84/88/70/650848870.db2.gz UEGQJRSPQJFWIE-MJBXVCDLSA-N 1 2 289.379 0.306 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC(=O)N1C ZINC001018228114 650848874 /nfs/dbraw/zinc/84/88/74/650848874.db2.gz UEGQJRSPQJFWIE-MJBXVCDLSA-N 1 2 289.379 0.306 20 30 CCEDLO C[C@@H](C#N)C[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851744297 643876268 /nfs/dbraw/zinc/87/62/68/643876268.db2.gz BBQCOSUACLEBEN-SMDDNHRTSA-N 1 2 261.325 0.451 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851744297 643876270 /nfs/dbraw/zinc/87/62/70/643876270.db2.gz BBQCOSUACLEBEN-SMDDNHRTSA-N 1 2 261.325 0.451 20 30 CCEDLO C#CC[N@@H+](C[C@H](OC)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839169 643889677 /nfs/dbraw/zinc/88/96/77/643889677.db2.gz HJGPMRGZBXBNNJ-KGLIPLIRSA-N 1 2 285.409 0.924 20 30 CCEDLO C#CC[N@H+](C[C@H](OC)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839169 643889680 /nfs/dbraw/zinc/88/96/80/643889680.db2.gz HJGPMRGZBXBNNJ-KGLIPLIRSA-N 1 2 285.409 0.924 20 30 CCEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@](C)(C#N)C2)C1 ZINC000853596559 644127023 /nfs/dbraw/zinc/12/70/23/644127023.db2.gz IZTLBJUGKPTIAZ-WFASDCNBSA-N 1 2 287.367 0.929 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018823373 650913247 /nfs/dbraw/zinc/91/32/47/650913247.db2.gz BGTSRLLQYNXQGA-LBPRGKRZSA-N 1 2 274.324 0.482 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1coc(C#N)c1 ZINC000868810615 645816192 /nfs/dbraw/zinc/81/61/92/645816192.db2.gz UBHKFKQFAIQZPI-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1coc(C#N)c1 ZINC000868810615 645816195 /nfs/dbraw/zinc/81/61/95/645816195.db2.gz UBHKFKQFAIQZPI-JTQLQIEISA-N 1 2 263.297 0.290 20 30 CCEDLO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020255323 651052992 /nfs/dbraw/zinc/05/29/92/651052992.db2.gz IFMRWYMACYUTPC-GWOFURMSSA-N 1 2 259.313 0.274 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](NCC#N)C2)c[nH+]1 ZINC001020286224 651056396 /nfs/dbraw/zinc/05/63/96/651056396.db2.gz XGCIYUSPGVNPDL-HAQNSBGRSA-N 1 2 275.356 0.687 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059398 645955060 /nfs/dbraw/zinc/95/50/60/645955060.db2.gz SNKAYPPBUUYIRI-OLZOCXBDSA-N 1 2 281.356 0.096 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268410 646234730 /nfs/dbraw/zinc/23/47/30/646234730.db2.gz ILNLSYWHIXLNEX-SECBINFHSA-N 1 2 261.272 0.372 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872268410 646234734 /nfs/dbraw/zinc/23/47/34/646234734.db2.gz ILNLSYWHIXLNEX-SECBINFHSA-N 1 2 261.272 0.372 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccncc1C#N ZINC000872772448 646321637 /nfs/dbraw/zinc/32/16/37/646321637.db2.gz VLVRYMKUNUEUDE-CYBMUJFWSA-N 1 2 260.341 0.898 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNc1ccncc1C#N ZINC000872772448 646321641 /nfs/dbraw/zinc/32/16/41/646321641.db2.gz VLVRYMKUNUEUDE-CYBMUJFWSA-N 1 2 260.341 0.898 20 30 CCEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCNC2=O)c1 ZINC000877620663 646829874 /nfs/dbraw/zinc/82/98/74/646829874.db2.gz WLWPVUJBVNGMFW-VIFPVBQESA-N 1 2 250.689 0.585 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611880 647083121 /nfs/dbraw/zinc/08/31/21/647083121.db2.gz YVBZXUODHBGOFV-HONMWMINSA-N 1 2 289.335 0.313 20 30 CCEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611880 647083125 /nfs/dbraw/zinc/08/31/25/647083125.db2.gz YVBZXUODHBGOFV-HONMWMINSA-N 1 2 289.335 0.313 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCC2OCCCO2)nn1 ZINC000881198148 647288130 /nfs/dbraw/zinc/28/81/30/647288130.db2.gz SPVCOFQPMCDUMU-UHFFFAOYSA-N 1 2 264.329 0.544 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(C#N)cc2)nn1 ZINC000881408303 647311610 /nfs/dbraw/zinc/31/16/10/647311610.db2.gz VURIHDKRJNTPOH-INIZCTEOSA-N 1 2 295.346 0.996 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCN(CC#N)CC1 ZINC001006348531 647573827 /nfs/dbraw/zinc/57/38/27/647573827.db2.gz QJRKPXAFCYFESS-UHFFFAOYSA-N 1 2 275.356 0.707 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886160137 647911978 /nfs/dbraw/zinc/91/19/78/647911978.db2.gz LCUVVXHSNSREBS-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886160137 647911985 /nfs/dbraw/zinc/91/19/85/647911985.db2.gz LCUVVXHSNSREBS-NWDGAFQWSA-N 1 2 265.357 0.594 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000929634084 648770762 /nfs/dbraw/zinc/77/07/62/648770762.db2.gz VEFVIFYMAFLWSZ-YPMHNXCESA-N 1 2 277.324 0.635 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000929634084 648770768 /nfs/dbraw/zinc/77/07/68/648770768.db2.gz VEFVIFYMAFLWSZ-YPMHNXCESA-N 1 2 277.324 0.635 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930135069 648828847 /nfs/dbraw/zinc/82/88/47/648828847.db2.gz KUCYOVFAZAJVON-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930135069 648828856 /nfs/dbraw/zinc/82/88/56/648828856.db2.gz KUCYOVFAZAJVON-NILFDRSVSA-N 1 2 276.336 0.673 20 30 CCEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000932151551 649054163 /nfs/dbraw/zinc/05/41/63/649054163.db2.gz ZDZTXOREUFVJEF-XQQFMLRXSA-N 1 2 254.330 0.124 20 30 CCEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000932151551 649054164 /nfs/dbraw/zinc/05/41/64/649054164.db2.gz ZDZTXOREUFVJEF-XQQFMLRXSA-N 1 2 254.330 0.124 20 30 CCEDLO C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001006430177 649370574 /nfs/dbraw/zinc/37/05/74/649370574.db2.gz WPBYNOQRLNEUNU-ZDUSSCGKSA-N 1 2 298.408 0.120 20 30 CCEDLO C=CC[NH+]1CCN(c2nc(OC)cc(OC)n2)CC1 ZINC001165033620 721864885 /nfs/dbraw/zinc/86/48/85/721864885.db2.gz SRVRZRDHZUQKIY-UHFFFAOYSA-N 1 2 264.329 0.802 20 30 CCEDLO C=CC[NH+]1CCN(c2ncncc2C(=O)OC)CC1 ZINC001165031349 721867237 /nfs/dbraw/zinc/86/72/37/721867237.db2.gz FGUBVRDJBXLZBH-UHFFFAOYSA-N 1 2 262.313 0.571 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526985 805610358 /nfs/dbraw/zinc/61/03/58/805610358.db2.gz LSZVIGPEKZOZQQ-AWEZNQCLSA-N 1 2 279.384 0.740 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526985 805610362 /nfs/dbraw/zinc/61/03/62/805610362.db2.gz LSZVIGPEKZOZQQ-AWEZNQCLSA-N 1 2 279.384 0.740 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230561961 805623281 /nfs/dbraw/zinc/62/32/81/805623281.db2.gz JXWWOPKWXIEUKF-VXGBXAGGSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230561961 805623288 /nfs/dbraw/zinc/62/32/88/805623288.db2.gz JXWWOPKWXIEUKF-VXGBXAGGSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571108 805625732 /nfs/dbraw/zinc/62/57/32/805625732.db2.gz BMKXWAUFXNHWDY-JSGCOSHPSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571108 805625736 /nfs/dbraw/zinc/62/57/36/805625736.db2.gz BMKXWAUFXNHWDY-JSGCOSHPSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230596449 805630704 /nfs/dbraw/zinc/63/07/04/805630704.db2.gz WREVTVDHHFYIEG-TZMCWYRMSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230596449 805630708 /nfs/dbraw/zinc/63/07/08/805630708.db2.gz WREVTVDHHFYIEG-TZMCWYRMSA-N 1 2 291.395 0.457 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccsc1 ZINC001266255049 790335525 /nfs/dbraw/zinc/33/55/25/790335525.db2.gz FPTXBFKCPRQZEC-UHFFFAOYSA-N 1 2 279.365 0.159 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccsc1 ZINC001266255049 790335534 /nfs/dbraw/zinc/33/55/34/790335534.db2.gz FPTXBFKCPRQZEC-UHFFFAOYSA-N 1 2 279.365 0.159 20 30 CCEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)no1 ZINC001038170901 790485397 /nfs/dbraw/zinc/48/53/97/790485397.db2.gz YFIIGSYQLFRMHZ-VIFPVBQESA-N 1 2 251.286 0.673 20 30 CCEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)no1 ZINC001038170901 790485400 /nfs/dbraw/zinc/48/54/00/790485400.db2.gz YFIIGSYQLFRMHZ-VIFPVBQESA-N 1 2 251.286 0.673 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001266318055 790494911 /nfs/dbraw/zinc/49/49/11/790494911.db2.gz XYWGGTNUFOSUBW-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001266318055 790494916 /nfs/dbraw/zinc/49/49/16/790494916.db2.gz XYWGGTNUFOSUBW-UONOGXRCSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)[nH]c3C)[C@H]2C1 ZINC001083207460 790966791 /nfs/dbraw/zinc/96/67/91/790966791.db2.gz XNANCDQPTUDEGP-LSDHHAIUSA-N 1 2 287.363 0.790 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)[nH]c3C)[C@H]2C1 ZINC001083207460 790966793 /nfs/dbraw/zinc/96/67/93/790966793.db2.gz XNANCDQPTUDEGP-LSDHHAIUSA-N 1 2 287.363 0.790 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848783 805675402 /nfs/dbraw/zinc/67/54/02/805675402.db2.gz LARTTYKYMKPQPE-QWHCGFSZSA-N 1 2 284.425 0.920 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848783 805675407 /nfs/dbraw/zinc/67/54/07/805675407.db2.gz LARTTYKYMKPQPE-QWHCGFSZSA-N 1 2 284.425 0.920 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848781 805676539 /nfs/dbraw/zinc/67/65/39/805676539.db2.gz LARTTYKYMKPQPE-CHWSQXEVSA-N 1 2 284.425 0.920 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848781 805676544 /nfs/dbraw/zinc/67/65/44/805676544.db2.gz LARTTYKYMKPQPE-CHWSQXEVSA-N 1 2 284.425 0.920 20 30 CCEDLO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024695 805711219 /nfs/dbraw/zinc/71/12/19/805711219.db2.gz GLWBFDGGFKTHAG-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O ZINC001231024695 805711226 /nfs/dbraw/zinc/71/12/26/805711226.db2.gz GLWBFDGGFKTHAG-GFCCVEGCSA-N 1 2 288.413 0.530 20 30 CCEDLO CCO[C@@H](CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231025093 805711755 /nfs/dbraw/zinc/71/17/55/805711755.db2.gz HWFCKVKBSIGXNB-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO CCO[C@@H](CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231025093 805711758 /nfs/dbraw/zinc/71/17/58/805711758.db2.gz HWFCKVKBSIGXNB-CABCVRRESA-N 1 2 296.411 0.984 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1Cc1c[nH+]cn1C ZINC001231245760 805759124 /nfs/dbraw/zinc/75/91/24/805759124.db2.gz AXCOFLJDKFZHLI-VXGBXAGGSA-N 1 2 275.356 0.612 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231247270 805759321 /nfs/dbraw/zinc/75/93/21/805759321.db2.gz MAUPJPVIQDXPPX-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231247270 805759326 /nfs/dbraw/zinc/75/93/26/805759326.db2.gz MAUPJPVIQDXPPX-QWHCGFSZSA-N 1 2 292.383 0.301 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)ncn1 ZINC001231292494 805769796 /nfs/dbraw/zinc/76/97/96/805769796.db2.gz CWNGYWMIPILFKZ-FZMZJTMJSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)ncn1 ZINC001231292494 805769799 /nfs/dbraw/zinc/76/97/99/805769799.db2.gz CWNGYWMIPILFKZ-FZMZJTMJSA-N 1 2 287.367 0.977 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001266838842 791278338 /nfs/dbraw/zinc/27/83/38/791278338.db2.gz BILXTZVFOFAFBL-NEPJUHHUSA-N 1 2 294.355 0.517 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571128 806084310 /nfs/dbraw/zinc/08/43/10/806084310.db2.gz SICBEUKXYSBXKO-DUYRLRNSSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571128 806084322 /nfs/dbraw/zinc/08/43/22/806084322.db2.gz SICBEUKXYSBXKO-DUYRLRNSSA-N 1 2 291.395 0.623 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038245301 791677666 /nfs/dbraw/zinc/67/76/66/791677666.db2.gz IDNODSSGWNAHIT-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC001038245301 791677670 /nfs/dbraw/zinc/67/76/70/791677670.db2.gz IDNODSSGWNAHIT-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO CCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267213971 791684625 /nfs/dbraw/zinc/68/46/25/791684625.db2.gz HUPCUPWIVGPPBO-UHFFFAOYSA-N 1 2 268.361 0.110 20 30 CCEDLO CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267213971 791684630 /nfs/dbraw/zinc/68/46/30/791684630.db2.gz HUPCUPWIVGPPBO-UHFFFAOYSA-N 1 2 268.361 0.110 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233612882 806092718 /nfs/dbraw/zinc/09/27/18/806092718.db2.gz ZRDSGOPKKOTQLP-ZDUSSCGKSA-N 1 2 290.367 0.216 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233612882 806092728 /nfs/dbraw/zinc/09/27/28/806092728.db2.gz ZRDSGOPKKOTQLP-ZDUSSCGKSA-N 1 2 290.367 0.216 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001233769435 806119001 /nfs/dbraw/zinc/11/90/01/806119001.db2.gz AYJUJQMKEWDMLD-UONOGXRCSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001233769435 806119003 /nfs/dbraw/zinc/11/90/03/806119003.db2.gz AYJUJQMKEWDMLD-UONOGXRCSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234129037 806187680 /nfs/dbraw/zinc/18/76/80/806187680.db2.gz GYQBGRLXPJENBM-UELRPHRMSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234129037 806187683 /nfs/dbraw/zinc/18/76/83/806187683.db2.gz GYQBGRLXPJENBM-UELRPHRMSA-N 1 2 291.395 0.625 20 30 CCEDLO N#CCCC[N@H+]1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2 ZINC001277943344 806420477 /nfs/dbraw/zinc/42/04/77/806420477.db2.gz TYOYVKJQTJBTHA-OKILXGFUSA-N 1 2 275.356 0.598 20 30 CCEDLO N#CCCC[N@@H+]1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2 ZINC001277943344 806420481 /nfs/dbraw/zinc/42/04/81/806420481.db2.gz TYOYVKJQTJBTHA-OKILXGFUSA-N 1 2 275.356 0.598 20 30 CCEDLO C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001278085177 806654026 /nfs/dbraw/zinc/65/40/26/806654026.db2.gz LGZKYFYVMFTZLL-HTQZYQBOSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F ZINC001278085177 806654027 /nfs/dbraw/zinc/65/40/27/806654027.db2.gz LGZKYFYVMFTZLL-HTQZYQBOSA-N 1 2 272.242 0.530 20 30 CCEDLO Cc1conc1C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001278078572 806654140 /nfs/dbraw/zinc/65/41/40/806654140.db2.gz XNAXWCASKVRENC-GFCCVEGCSA-N 1 2 279.340 0.209 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cn4cc(C#N)ccc4n3)C[C@H]21 ZINC001237603548 806697448 /nfs/dbraw/zinc/69/74/48/806697448.db2.gz CVTFQZQDAYYIBP-CABCVRRESA-N 1 2 297.362 0.721 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(Cc3cn4cc(C#N)ccc4n3)C[C@H]21 ZINC001237603548 806697452 /nfs/dbraw/zinc/69/74/52/806697452.db2.gz CVTFQZQDAYYIBP-CABCVRRESA-N 1 2 297.362 0.721 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccncc1C#N ZINC001120712813 798919611 /nfs/dbraw/zinc/91/96/11/798919611.db2.gz SPIDCYFIFVHKKT-LLVKDONJSA-N 1 2 298.350 0.600 20 30 CCEDLO C#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc1 ZINC001120798133 798938911 /nfs/dbraw/zinc/93/89/11/798938911.db2.gz PNPBUYDESROXDO-UHFFFAOYSA-N 1 2 298.390 0.807 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1 ZINC001278127678 806706987 /nfs/dbraw/zinc/70/69/87/806706987.db2.gz CJGWBXZACABDGU-GFCCVEGCSA-N 1 2 281.356 0.762 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121366770 799036257 /nfs/dbraw/zinc/03/62/57/799036257.db2.gz XWRMZLJHBQMXJT-GFCCVEGCSA-N 1 2 276.340 0.478 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1C ZINC001121409487 799042923 /nfs/dbraw/zinc/04/29/23/799042923.db2.gz ZWEKVOHXVFAUOS-NEPJUHHUSA-N 1 2 279.388 0.955 20 30 CCEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1C ZINC001121409487 799042930 /nfs/dbraw/zinc/04/29/30/799042930.db2.gz ZWEKVOHXVFAUOS-NEPJUHHUSA-N 1 2 279.388 0.955 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001124764745 799633925 /nfs/dbraw/zinc/63/39/25/799633925.db2.gz BUNIZXWCZHEDCE-UHFFFAOYSA-N 1 2 282.344 0.601 20 30 CCEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001276397047 799777925 /nfs/dbraw/zinc/77/79/25/799777925.db2.gz MNGBMZXDGIAHAL-GHMZBOCLSA-N 1 2 288.413 0.432 20 30 CCEDLO N#CCNCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209434 799979756 /nfs/dbraw/zinc/97/97/56/799979756.db2.gz LMQFYMOMPQLQRC-LLVKDONJSA-N 1 2 261.329 0.065 20 30 CCEDLO CCOC(=O)[C@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975510 800476178 /nfs/dbraw/zinc/47/61/78/800476178.db2.gz AHVVBXTVAGUTML-NSHDSACASA-N 1 2 272.264 0.748 20 30 CCEDLO CCn1cc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N)nn1 ZINC001152412619 800519303 /nfs/dbraw/zinc/51/93/03/800519303.db2.gz CCZWGDUIDLTJIN-VXGBXAGGSA-N 1 2 292.387 0.784 20 30 CCEDLO CCn1cc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N)nn1 ZINC001152412619 800519306 /nfs/dbraw/zinc/51/93/06/800519306.db2.gz CCZWGDUIDLTJIN-VXGBXAGGSA-N 1 2 292.387 0.784 20 30 CCEDLO C#CCCCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001155018236 800891856 /nfs/dbraw/zinc/89/18/56/800891856.db2.gz XRSZMTPFOWLJTA-NSHDSACASA-N 1 2 273.340 0.756 20 30 CCEDLO C#CCCCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001155018236 800891861 /nfs/dbraw/zinc/89/18/61/800891861.db2.gz XRSZMTPFOWLJTA-NSHDSACASA-N 1 2 273.340 0.756 20 30 CCEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001155607430 801021252 /nfs/dbraw/zinc/02/12/52/801021252.db2.gz QGQZCVGJGPQWMT-LLVKDONJSA-N 1 2 288.413 0.269 20 30 CCEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001155607430 801021256 /nfs/dbraw/zinc/02/12/56/801021256.db2.gz QGQZCVGJGPQWMT-LLVKDONJSA-N 1 2 288.413 0.269 20 30 CCEDLO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1nnsc1Cl ZINC001155835819 801061238 /nfs/dbraw/zinc/06/12/38/801061238.db2.gz FWGMFEOGBQKUME-SSDOTTSWSA-N 1 2 287.776 0.947 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(Cl)nc2C#N)C[NH2+]1 ZINC001156242612 801138666 /nfs/dbraw/zinc/13/86/66/801138666.db2.gz KOPYYNXCKNDPDQ-BQBZGAKWSA-N 1 2 281.703 0.317 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(Cl)cc2C#N)C[NH2+]1 ZINC001156248741 801139372 /nfs/dbraw/zinc/13/93/72/801139372.db2.gz HTPKXSNJWCQQEK-UWVGGRQHSA-N 1 2 280.715 0.922 20 30 CCEDLO COC(=O)/C=C/c1cc(C)cnc1N1CC[NH2+]C[C@@H]1C#N ZINC001156328017 801151994 /nfs/dbraw/zinc/15/19/94/801151994.db2.gz YARDECLXJSTUQQ-OOPCZODUSA-N 1 2 286.335 0.878 20 30 CCEDLO N#Cc1cnc(Cl)nc1NCC1([NH+]2CCCC2)COC1 ZINC001157650001 801445974 /nfs/dbraw/zinc/44/59/74/801445974.db2.gz HUIUHQALBCVNBJ-UHFFFAOYSA-N 1 2 293.758 0.700 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)NCCCNCC#N)ccn12 ZINC001158062296 801561504 /nfs/dbraw/zinc/56/15/04/801561504.db2.gz UYPQMCRAJBXGDL-UHFFFAOYSA-N 1 2 271.324 0.876 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc(Cl)c2C#N)C[NH2+]1 ZINC001158254325 801605488 /nfs/dbraw/zinc/60/54/88/801605488.db2.gz PIZIWXZQJPRDIW-SVRRBLITSA-N 1 2 281.703 0.317 20 30 CCEDLO CCc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C)[nH+]1 ZINC001160176297 801914645 /nfs/dbraw/zinc/91/46/45/801914645.db2.gz KWDZRVBYCBDURN-CPCISQLKSA-N 1 2 250.302 0.995 20 30 CCEDLO C=CCS(=O)(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001259937032 808811091 /nfs/dbraw/zinc/81/10/91/808811091.db2.gz YLRGPGPCETWPQE-GFCCVEGCSA-N 1 2 290.429 0.839 20 30 CCEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(C)ccc2C#N)cn1 ZINC001163412651 802553826 /nfs/dbraw/zinc/55/38/26/802553826.db2.gz SCNNQKZXIDUTRQ-ZDUSSCGKSA-N 1 2 299.334 0.880 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001265274043 809740714 /nfs/dbraw/zinc/74/07/14/809740714.db2.gz ZZWGJVHPVJEECP-UQTJOTSZSA-N 1 2 289.379 0.283 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001265274043 809740719 /nfs/dbraw/zinc/74/07/19/809740719.db2.gz ZZWGJVHPVJEECP-UQTJOTSZSA-N 1 2 289.379 0.283 20 30 CCEDLO COC(=O)c1cc(C)nc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164627709 802773293 /nfs/dbraw/zinc/77/32/93/802773293.db2.gz WDCFMFYRMJWBJU-LLVKDONJSA-N 1 2 260.297 0.478 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001267805197 811800531 /nfs/dbraw/zinc/80/05/31/811800531.db2.gz NPGFHQMLCVIZQY-CMPLNLGQSA-N 1 2 294.355 0.401 20 30 CCEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083295813 811801994 /nfs/dbraw/zinc/80/19/94/811801994.db2.gz PAEGSGZOXRAIQN-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083295813 811802005 /nfs/dbraw/zinc/80/20/05/811802005.db2.gz PAEGSGZOXRAIQN-KGLIPLIRSA-N 1 2 277.299 0.379 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001268195495 812355424 /nfs/dbraw/zinc/35/54/24/812355424.db2.gz UEYSUQDINMWOAB-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001268195495 812355434 /nfs/dbraw/zinc/35/54/34/812355434.db2.gz UEYSUQDINMWOAB-STQMWFEESA-N 1 2 294.399 0.643 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c1 ZINC001203764221 803044617 /nfs/dbraw/zinc/04/46/17/803044617.db2.gz FHDQNCXEYCONBT-CQSZACIVSA-N 1 2 271.320 0.601 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c1 ZINC001203764221 803044622 /nfs/dbraw/zinc/04/46/22/803044622.db2.gz FHDQNCXEYCONBT-CQSZACIVSA-N 1 2 271.320 0.601 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206915865 803306990 /nfs/dbraw/zinc/30/69/90/803306990.db2.gz MUMMNDACEKBPRD-UXIGCNINSA-N 1 2 293.367 0.938 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206915865 803306993 /nfs/dbraw/zinc/30/69/93/803306993.db2.gz MUMMNDACEKBPRD-UXIGCNINSA-N 1 2 293.367 0.938 20 30 CCEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207685126 803437757 /nfs/dbraw/zinc/43/77/57/803437757.db2.gz XCVVLCPGOMKWQB-LBPRGKRZSA-N 1 2 294.355 0.661 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C=C)[C@H](OC)C1 ZINC001213266701 803687710 /nfs/dbraw/zinc/68/77/10/803687710.db2.gz GGYVECMJLANLQB-VXGBXAGGSA-N 1 2 250.342 0.647 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C=C)[C@H](OC)C1 ZINC001213266701 803687711 /nfs/dbraw/zinc/68/77/11/803687711.db2.gz GGYVECMJLANLQB-VXGBXAGGSA-N 1 2 250.342 0.647 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213268494 803687901 /nfs/dbraw/zinc/68/79/01/803687901.db2.gz LPPWWFGGGYBJDI-VXGBXAGGSA-N 1 2 297.399 0.102 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213268494 803687902 /nfs/dbraw/zinc/68/79/02/803687902.db2.gz LPPWWFGGGYBJDI-VXGBXAGGSA-N 1 2 297.399 0.102 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@H](OC)C1 ZINC001213303038 803690648 /nfs/dbraw/zinc/69/06/48/803690648.db2.gz DDXUWGMLYYMNBC-UPJWGTAASA-N 1 2 270.348 0.819 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@H](OC)C1 ZINC001213303038 803690650 /nfs/dbraw/zinc/69/06/50/803690650.db2.gz DDXUWGMLYYMNBC-UPJWGTAASA-N 1 2 270.348 0.819 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@H](OC)C1 ZINC001213442902 803695152 /nfs/dbraw/zinc/69/51/52/803695152.db2.gz YMZMCLFPXIZCFR-CHWSQXEVSA-N 1 2 298.358 0.201 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@H](OC)C1 ZINC001213442902 803695154 /nfs/dbraw/zinc/69/51/54/803695154.db2.gz YMZMCLFPXIZCFR-CHWSQXEVSA-N 1 2 298.358 0.201 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@H](OC)C1 ZINC001213487994 803696066 /nfs/dbraw/zinc/69/60/66/803696066.db2.gz PKCQFIGQNUWENV-MGPQQGTHSA-N 1 2 292.379 0.252 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@H](OC)C1 ZINC001213487994 803696070 /nfs/dbraw/zinc/69/60/70/803696070.db2.gz PKCQFIGQNUWENV-MGPQQGTHSA-N 1 2 292.379 0.252 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001211999228 814971866 /nfs/dbraw/zinc/97/18/66/814971866.db2.gz CDDNIZDZHXHAEM-CHWSQXEVSA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001211999228 814971870 /nfs/dbraw/zinc/97/18/70/814971870.db2.gz CDDNIZDZHXHAEM-CHWSQXEVSA-N 1 2 295.383 0.047 20 30 CCEDLO C#C[C@](C)([NH3+])C(=O)Nc1nc2ccc(OC)cc2[nH]1 ZINC001218520613 803981969 /nfs/dbraw/zinc/98/19/69/803981969.db2.gz FNQGTQSLOKQRSS-ZDUSSCGKSA-N 1 2 258.281 0.861 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001219186020 804228781 /nfs/dbraw/zinc/22/87/81/804228781.db2.gz OYMUZMABDCECPN-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001219186020 804228789 /nfs/dbraw/zinc/22/87/89/804228789.db2.gz OYMUZMABDCECPN-OLZOCXBDSA-N 1 2 297.399 0.030 20 30 CCEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001219314490 804267748 /nfs/dbraw/zinc/26/77/48/804267748.db2.gz KEDLOWAWZIJCQC-VIFPVBQESA-N 1 2 267.235 0.763 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219342735 804277256 /nfs/dbraw/zinc/27/72/56/804277256.db2.gz FWHJSGGNAQGBOV-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219342735 804277263 /nfs/dbraw/zinc/27/72/63/804277263.db2.gz FWHJSGGNAQGBOV-KFWWJZLASA-N 1 2 296.411 0.624 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001219344875 804279916 /nfs/dbraw/zinc/27/99/16/804279916.db2.gz ZKZOAQMBOGUVHH-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001219344875 804279921 /nfs/dbraw/zinc/27/99/21/804279921.db2.gz ZKZOAQMBOGUVHH-KGLIPLIRSA-N 1 2 290.367 0.413 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219379003 804292967 /nfs/dbraw/zinc/29/29/67/804292967.db2.gz KYEWMYSXVKJYOG-BMFZPTHFSA-N 1 2 297.358 0.359 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219379003 804292976 /nfs/dbraw/zinc/29/29/76/804292976.db2.gz KYEWMYSXVKJYOG-BMFZPTHFSA-N 1 2 297.358 0.359 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@@H](O)C1 ZINC001219475049 804325272 /nfs/dbraw/zinc/32/52/72/804325272.db2.gz ZGXMFRFQCCDDHQ-GRYCIOLGSA-N 1 2 270.398 0.313 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)SC)[C@@H](O)C1 ZINC001219475049 804325282 /nfs/dbraw/zinc/32/52/82/804325282.db2.gz ZGXMFRFQCCDDHQ-GRYCIOLGSA-N 1 2 270.398 0.313 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219527662 804337316 /nfs/dbraw/zinc/33/73/16/804337316.db2.gz XSAUGQVLCDGDCD-MCIONIFRSA-N 1 2 282.384 0.234 20 30 CCEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219527662 804337322 /nfs/dbraw/zinc/33/73/22/804337322.db2.gz XSAUGQVLCDGDCD-MCIONIFRSA-N 1 2 282.384 0.234 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)C1 ZINC001272106473 815012643 /nfs/dbraw/zinc/01/26/43/815012643.db2.gz WLXYZYHIMUAVDT-UHFFFAOYSA-N 1 2 292.383 0.373 20 30 CCEDLO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001272106473 815012647 /nfs/dbraw/zinc/01/26/47/815012647.db2.gz WLXYZYHIMUAVDT-UHFFFAOYSA-N 1 2 292.383 0.373 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219716841 804412468 /nfs/dbraw/zinc/41/24/68/804412468.db2.gz GHDJFXUFEHQVIK-KGLIPLIRSA-N 1 2 280.368 0.154 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219716841 804412474 /nfs/dbraw/zinc/41/24/74/804412474.db2.gz GHDJFXUFEHQVIK-KGLIPLIRSA-N 1 2 280.368 0.154 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219715870 804412951 /nfs/dbraw/zinc/41/29/51/804412951.db2.gz ORSNDSOGMYUZPD-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219715870 804412953 /nfs/dbraw/zinc/41/29/53/804412953.db2.gz ORSNDSOGMYUZPD-KGLIPLIRSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001219715524 804413089 /nfs/dbraw/zinc/41/30/89/804413089.db2.gz CDMVOFDFAYCENI-OLZOCXBDSA-N 1 2 297.399 0.029 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001219715524 804413091 /nfs/dbraw/zinc/41/30/91/804413091.db2.gz CDMVOFDFAYCENI-OLZOCXBDSA-N 1 2 297.399 0.029 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@@H](O)C1 ZINC001219782459 804424464 /nfs/dbraw/zinc/42/44/64/804424464.db2.gz SFBNKGJSBPDPEV-AXFHLTTASA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@@H](O)C1 ZINC001219782459 804424466 /nfs/dbraw/zinc/42/44/66/804424466.db2.gz SFBNKGJSBPDPEV-AXFHLTTASA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCCC2)[C@@H](O)C1 ZINC001221204231 804745283 /nfs/dbraw/zinc/74/52/83/804745283.db2.gz DYWZFJLOGYWAKQ-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCCC2)[C@@H](O)C1 ZINC001221204231 804745288 /nfs/dbraw/zinc/74/52/88/804745288.db2.gz DYWZFJLOGYWAKQ-QLFBSQMISA-N 1 2 294.395 0.376 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001276843445 804937231 /nfs/dbraw/zinc/93/72/31/804937231.db2.gz XSYPGZPQWQVHJR-SRVKXCTJSA-N 1 2 286.322 0.728 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001276843445 804937235 /nfs/dbraw/zinc/93/72/35/804937235.db2.gz XSYPGZPQWQVHJR-SRVKXCTJSA-N 1 2 286.322 0.728 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001276852166 804940403 /nfs/dbraw/zinc/94/04/03/804940403.db2.gz GRBBNRUDRFZQST-ZDUSSCGKSA-N 1 2 291.351 0.713 20 30 CCEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001276852166 804940406 /nfs/dbraw/zinc/94/04/06/804940406.db2.gz GRBBNRUDRFZQST-ZDUSSCGKSA-N 1 2 291.351 0.713 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001276866337 804956451 /nfs/dbraw/zinc/95/64/51/804956451.db2.gz BXRWSGNWEWLCLS-ROKHWSDSSA-N 1 2 280.368 0.252 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001276866337 804956458 /nfs/dbraw/zinc/95/64/58/804956458.db2.gz BXRWSGNWEWLCLS-ROKHWSDSSA-N 1 2 280.368 0.252 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCN1CC#N ZINC001276939107 805002338 /nfs/dbraw/zinc/00/23/38/805002338.db2.gz CZWOCEMJXKWVPI-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCN1CC#N ZINC001276939107 805002349 /nfs/dbraw/zinc/00/23/49/805002349.db2.gz CZWOCEMJXKWVPI-ZYHUDNBSSA-N 1 2 261.329 0.302 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1ccncc1 ZINC001276949287 805011302 /nfs/dbraw/zinc/01/13/02/805011302.db2.gz LOUHWWFYCFWPJE-OAHLLOKOSA-N 1 2 287.363 0.812 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1ccncc1 ZINC001276949287 805011311 /nfs/dbraw/zinc/01/13/11/805011311.db2.gz LOUHWWFYCFWPJE-OAHLLOKOSA-N 1 2 287.363 0.812 20 30 CCEDLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978744 805047917 /nfs/dbraw/zinc/04/79/17/805047917.db2.gz NEHBNFPOPVLIFO-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276978744 805047931 /nfs/dbraw/zinc/04/79/31/805047931.db2.gz NEHBNFPOPVLIFO-UKRRQHHQSA-N 1 2 299.374 0.493 20 30 CCEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1CC#N ZINC001088679195 815055729 /nfs/dbraw/zinc/05/57/29/815055729.db2.gz ITZSJJYTFVMHBY-BZPMIXESSA-N 1 2 287.367 0.548 20 30 CCEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001226617316 805256783 /nfs/dbraw/zinc/25/67/83/805256783.db2.gz FGYHMYVICKAOGL-NSHDSACASA-N 1 2 275.356 0.660 20 30 CCEDLO CCNC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277164589 805294178 /nfs/dbraw/zinc/29/41/78/805294178.db2.gz DWEHDDAEWUHNNR-UHFFFAOYSA-N 1 2 287.367 0.744 20 30 CCEDLO Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(=O)ccn1C ZINC001228435936 805445355 /nfs/dbraw/zinc/44/53/55/805445355.db2.gz QKGAELMVJRCZGO-RBRDRRMGSA-N 1 2 276.336 0.685 20 30 CCEDLO Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(=O)ccn1C ZINC001228435936 805445359 /nfs/dbraw/zinc/44/53/59/805445359.db2.gz QKGAELMVJRCZGO-RBRDRRMGSA-N 1 2 276.336 0.685 20 30 CCEDLO N#CC1(NC(=O)C23CC([NH2+]Cc4c[nH]nn4)(C2)C3)CCC1 ZINC001277378143 805522757 /nfs/dbraw/zinc/52/27/57/805522757.db2.gz CXMKELWFPBMGCU-UHFFFAOYSA-N 1 2 286.339 0.379 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(C(=O)NO)ccc1O ZINC001229969192 805571351 /nfs/dbraw/zinc/57/13/51/805571351.db2.gz VPWFLZDTKPCVQK-SNVBAGLBSA-N 1 2 296.323 0.611 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278375622 807050209 /nfs/dbraw/zinc/05/02/09/807050209.db2.gz RXIJIEKMRXODNR-DOMZBBRYSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278375622 807050216 /nfs/dbraw/zinc/05/02/16/807050216.db2.gz RXIJIEKMRXODNR-DOMZBBRYSA-N 1 2 294.399 0.643 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC001212116899 815100093 /nfs/dbraw/zinc/10/00/93/815100093.db2.gz JBPODGIKJAGCFK-HUUCEWRRSA-N 1 2 292.379 0.562 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC001212116899 815100094 /nfs/dbraw/zinc/10/00/94/815100094.db2.gz JBPODGIKJAGCFK-HUUCEWRRSA-N 1 2 292.379 0.562 20 30 CCEDLO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001278592217 807609181 /nfs/dbraw/zinc/60/91/81/807609181.db2.gz ASXOOKLIDNGFPU-VHSXEESVSA-N 1 2 264.304 0.670 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001251880556 807730825 /nfs/dbraw/zinc/73/08/25/807730825.db2.gz BOBWONXTSAMCOO-GFCCVEGCSA-N 1 2 269.341 0.463 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@@H](O)C1 ZINC001083473642 815143395 /nfs/dbraw/zinc/14/33/95/815143395.db2.gz MZFMAPXCASYFDN-DGAVXFQQSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@@H](O)C1 ZINC001083473642 815143397 /nfs/dbraw/zinc/14/33/97/815143397.db2.gz MZFMAPXCASYFDN-DGAVXFQQSA-N 1 2 278.396 0.853 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](O)C1 ZINC001083474617 815144939 /nfs/dbraw/zinc/14/49/39/815144939.db2.gz RLSAVUMXMZWORC-KHMAMNHCSA-N 1 2 274.364 0.383 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](O)C1 ZINC001083474617 815144942 /nfs/dbraw/zinc/14/49/42/815144942.db2.gz RLSAVUMXMZWORC-KHMAMNHCSA-N 1 2 274.364 0.383 20 30 CCEDLO C=CCOC[C@@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001252464409 807877446 /nfs/dbraw/zinc/87/74/46/807877446.db2.gz YSXABHDBWVFLRN-ZDUSSCGKSA-N 1 2 295.383 0.799 20 30 CCEDLO C=CCOC[C@@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001252464409 807877449 /nfs/dbraw/zinc/87/74/49/807877449.db2.gz YSXABHDBWVFLRN-ZDUSSCGKSA-N 1 2 295.383 0.799 20 30 CCEDLO C=CCOC[C@@H](O)CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001252468968 807879836 /nfs/dbraw/zinc/87/98/36/807879836.db2.gz SGLBIUNFSXEXLM-ZDUSSCGKSA-N 1 2 290.354 0.965 20 30 CCEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001252571611 807911880 /nfs/dbraw/zinc/91/18/80/807911880.db2.gz ALGRBCXWYJRACK-DGCLKSJQSA-N 1 2 257.330 0.481 20 30 CCEDLO C=CCN1CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253680969 808112953 /nfs/dbraw/zinc/11/29/53/808112953.db2.gz HMPCMZXLKZSLON-GFCCVEGCSA-N 1 2 270.373 0.493 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253689268 808116939 /nfs/dbraw/zinc/11/69/39/808116939.db2.gz QOSFBCOXUBZKBT-GWCFXTLKSA-N 1 2 254.330 0.925 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001253689268 808116943 /nfs/dbraw/zinc/11/69/43/808116943.db2.gz QOSFBCOXUBZKBT-GWCFXTLKSA-N 1 2 254.330 0.925 20 30 CCEDLO C=CC[N@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781572 808232821 /nfs/dbraw/zinc/23/28/21/808232821.db2.gz KNGBVFZHUTYGSH-WPRPVWTQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278781572 808232824 /nfs/dbraw/zinc/23/28/24/808232824.db2.gz KNGBVFZHUTYGSH-WPRPVWTQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278781572 808232830 /nfs/dbraw/zinc/23/28/30/808232830.db2.gz KNGBVFZHUTYGSH-WPRPVWTQSA-N 1 2 284.253 0.626 20 30 CCEDLO C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001278781572 808232835 /nfs/dbraw/zinc/23/28/35/808232835.db2.gz KNGBVFZHUTYGSH-WPRPVWTQSA-N 1 2 284.253 0.626 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CC(C)(C#N)C2)CC1 ZINC001254402262 808232889 /nfs/dbraw/zinc/23/28/89/808232889.db2.gz RCJFLVJEDZQBBD-UHFFFAOYSA-N 1 2 265.357 0.859 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782165 808234463 /nfs/dbraw/zinc/23/44/63/808234463.db2.gz RSVJIQICUSSHRH-MWLCHTKSSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001278782165 808234467 /nfs/dbraw/zinc/23/44/67/808234467.db2.gz RSVJIQICUSSHRH-MWLCHTKSSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278782165 808234472 /nfs/dbraw/zinc/23/44/72/808234472.db2.gz RSVJIQICUSSHRH-MWLCHTKSSA-N 1 2 296.264 0.463 20 30 CCEDLO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001278782165 808234476 /nfs/dbraw/zinc/23/44/76/808234476.db2.gz RSVJIQICUSSHRH-MWLCHTKSSA-N 1 2 296.264 0.463 20 30 CCEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC001254555188 808259352 /nfs/dbraw/zinc/25/93/52/808259352.db2.gz BIWISVJUKMRHKX-JTQLQIEISA-N 1 2 253.302 0.859 20 30 CCEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC001254555188 808259356 /nfs/dbraw/zinc/25/93/56/808259356.db2.gz BIWISVJUKMRHKX-JTQLQIEISA-N 1 2 253.302 0.859 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001254990577 808304312 /nfs/dbraw/zinc/30/43/12/808304312.db2.gz KOKWZVMDKNGPSF-NSHDSACASA-N 1 2 265.357 0.102 20 30 CCEDLO C#CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001254990577 808304321 /nfs/dbraw/zinc/30/43/21/808304321.db2.gz KOKWZVMDKNGPSF-NSHDSACASA-N 1 2 265.357 0.102 20 30 CCEDLO C=CCC1(C(=O)NCC2(O)C[NH+](CC)C2)CCC1 ZINC001278903311 808445497 /nfs/dbraw/zinc/44/54/97/808445497.db2.gz JSSURNQDBJHVJO-UHFFFAOYSA-N 1 2 252.358 0.916 20 30 CCEDLO CCc1nnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126903668 815209806 /nfs/dbraw/zinc/20/98/06/815209806.db2.gz NFFMJGDWDFRMKA-UHFFFAOYSA-N 1 2 262.313 0.251 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001258257167 808666758 /nfs/dbraw/zinc/66/67/58/808666758.db2.gz XCTGDIXELLDJJE-GFCCVEGCSA-N 1 2 277.349 0.637 20 30 CCEDLO N#Cc1ccccc1S(=O)(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001258257167 808666759 /nfs/dbraw/zinc/66/67/59/808666759.db2.gz XCTGDIXELLDJJE-GFCCVEGCSA-N 1 2 277.349 0.637 20 30 CCEDLO C[NH+]1CC2(CN(S(=O)(=O)c3cccc(C#N)c3)C2)C1 ZINC001259123097 808733820 /nfs/dbraw/zinc/73/38/20/808733820.db2.gz OLUAOGXDBMGHBF-UHFFFAOYSA-N 1 2 277.349 0.494 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988114 809425652 /nfs/dbraw/zinc/42/56/52/809425652.db2.gz MBTUHHLKWNQTQF-IUODEOHRSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCn1c(N(C)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988114 809425656 /nfs/dbraw/zinc/42/56/56/809425656.db2.gz MBTUHHLKWNQTQF-IUODEOHRSA-N 1 2 291.399 0.974 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001263813065 809575715 /nfs/dbraw/zinc/57/57/15/809575715.db2.gz ZTTCGWMPRKOIJF-CHWSQXEVSA-N 1 2 291.395 0.621 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001263813065 809575720 /nfs/dbraw/zinc/57/57/20/809575720.db2.gz ZTTCGWMPRKOIJF-CHWSQXEVSA-N 1 2 291.395 0.621 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C ZINC001263823487 809579791 /nfs/dbraw/zinc/57/97/91/809579791.db2.gz OLWKHNSBRJKMSH-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C ZINC001263823487 809579794 /nfs/dbraw/zinc/57/97/94/809579794.db2.gz OLWKHNSBRJKMSH-ZDUSSCGKSA-N 1 2 290.367 0.514 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208900 809725088 /nfs/dbraw/zinc/72/50/88/809725088.db2.gz XVWITHGPGKYVQW-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001265208900 809725089 /nfs/dbraw/zinc/72/50/89/809725089.db2.gz XVWITHGPGKYVQW-YPMHNXCESA-N 1 2 292.383 0.253 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001265223087 809728528 /nfs/dbraw/zinc/72/85/28/809728528.db2.gz QCAKEENSAJXGFA-RYUDHWBXSA-N 1 2 267.373 0.655 20 30 CCEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001265223087 809728530 /nfs/dbraw/zinc/72/85/30/809728530.db2.gz QCAKEENSAJXGFA-RYUDHWBXSA-N 1 2 267.373 0.655 20 30 CCEDLO CCCCO[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001265255904 809732020 /nfs/dbraw/zinc/73/20/20/809732020.db2.gz FURVMFWSTQKMOL-AWEZNQCLSA-N 1 2 296.415 0.449 20 30 CCEDLO C#CCCCC(=O)NCC[NH+]1CCN(CC#C)CC1 ZINC001265259011 809733204 /nfs/dbraw/zinc/73/32/04/809733204.db2.gz VLYDRZBUMMTCNF-UHFFFAOYSA-N 1 2 261.369 0.157 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265278524 809744434 /nfs/dbraw/zinc/74/44/34/809744434.db2.gz HOIXJMSKRPOXDA-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265278524 809744452 /nfs/dbraw/zinc/74/44/52/809744452.db2.gz HOIXJMSKRPOXDA-CYBMUJFWSA-N 1 2 290.367 0.010 20 30 CCEDLO CC1(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001265295438 809750822 /nfs/dbraw/zinc/75/08/22/809750822.db2.gz VYTVPTDSCGOSCG-NSHDSACASA-N 1 2 278.356 0.007 20 30 CCEDLO CC1(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001265295438 809750827 /nfs/dbraw/zinc/75/08/27/809750827.db2.gz VYTVPTDSCGOSCG-NSHDSACASA-N 1 2 278.356 0.007 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001265299259 809751034 /nfs/dbraw/zinc/75/10/34/809751034.db2.gz LRZKTNXXFSMBLL-YGLIYXGISA-N 1 2 289.379 0.449 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001265299259 809751042 /nfs/dbraw/zinc/75/10/42/809751042.db2.gz LRZKTNXXFSMBLL-YGLIYXGISA-N 1 2 289.379 0.449 20 30 CCEDLO CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001265655965 809820834 /nfs/dbraw/zinc/82/08/34/809820834.db2.gz SSOAFRPLZWAQOE-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001265655965 809820837 /nfs/dbraw/zinc/82/08/37/809820837.db2.gz SSOAFRPLZWAQOE-LBPRGKRZSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266216588 809965305 /nfs/dbraw/zinc/96/53/05/809965305.db2.gz TWQDBQKGFNYNKK-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO CCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266216588 809965308 /nfs/dbraw/zinc/96/53/08/809965308.db2.gz TWQDBQKGFNYNKK-CQSZACIVSA-N 1 2 293.411 0.753 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001076854411 815398466 /nfs/dbraw/zinc/39/84/66/815398466.db2.gz ITGPSDZJIKAKSY-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001076854411 815398469 /nfs/dbraw/zinc/39/84/69/815398469.db2.gz ITGPSDZJIKAKSY-CHWSQXEVSA-N 1 2 278.377 0.855 20 30 CCEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001267389543 811273315 /nfs/dbraw/zinc/27/33/15/811273315.db2.gz WPQOSDRSXJUNID-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001267389543 811273321 /nfs/dbraw/zinc/27/33/21/811273321.db2.gz WPQOSDRSXJUNID-KFWWJZLASA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038297797 811324857 /nfs/dbraw/zinc/32/48/57/811324857.db2.gz QVHWOBJKYUAVPJ-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038297797 811324865 /nfs/dbraw/zinc/32/48/65/811324865.db2.gz QVHWOBJKYUAVPJ-LBPRGKRZSA-N 1 2 272.352 0.735 20 30 CCEDLO CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(CC#N)C1 ZINC001267539911 811421062 /nfs/dbraw/zinc/42/10/62/811421062.db2.gz VQXVYNSOMOSIRX-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(CC#N)C1 ZINC001267539911 811421065 /nfs/dbraw/zinc/42/10/65/811421065.db2.gz VQXVYNSOMOSIRX-KBPBESRZSA-N 1 2 294.399 0.153 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038319006 811449258 /nfs/dbraw/zinc/44/92/58/811449258.db2.gz QKGOPDOLLUGEBY-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001038319006 811449261 /nfs/dbraw/zinc/44/92/61/811449261.db2.gz QKGOPDOLLUGEBY-LBPRGKRZSA-N 1 2 272.352 0.657 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)F)C2)nn1 ZINC001098595593 811460500 /nfs/dbraw/zinc/46/05/00/811460500.db2.gz SRFHQWBHHQUCEB-LBPRGKRZSA-N 1 2 293.346 0.522 20 30 CCEDLO CN(CC#N)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267584220 811483044 /nfs/dbraw/zinc/48/30/44/811483044.db2.gz CKKVXPUYFBLCNN-GFCCVEGCSA-N 1 2 275.356 0.646 20 30 CCEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CC(C)(F)F)CC1 ZINC001267612470 811563725 /nfs/dbraw/zinc/56/37/25/811563725.db2.gz LMCUEPYUVOQWBH-UHFFFAOYSA-N 1 2 287.354 0.741 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001267629048 811586786 /nfs/dbraw/zinc/58/67/86/811586786.db2.gz KZKLBPQBDKXJGD-GXTWGEPZSA-N 1 2 299.390 0.863 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001267629048 811586790 /nfs/dbraw/zinc/58/67/90/811586790.db2.gz KZKLBPQBDKXJGD-GXTWGEPZSA-N 1 2 299.390 0.863 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001077207809 815461264 /nfs/dbraw/zinc/46/12/64/815461264.db2.gz WMRADIFSOMDPQE-ZIAGYGMSSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001077207809 815461266 /nfs/dbraw/zinc/46/12/66/815461266.db2.gz WMRADIFSOMDPQE-ZIAGYGMSSA-N 1 2 294.301 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C3CC3)[C@H]2C1 ZINC001083285807 811618218 /nfs/dbraw/zinc/61/82/18/811618218.db2.gz GQWUWCOSXKQMHF-VHDGCEQUSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C3CC3)[C@H]2C1 ZINC001083285807 811618223 /nfs/dbraw/zinc/61/82/23/811618223.db2.gz GQWUWCOSXKQMHF-VHDGCEQUSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341454 811655199 /nfs/dbraw/zinc/65/51/99/811655199.db2.gz LGFVTJDUQFMIJT-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341454 811655201 /nfs/dbraw/zinc/65/52/01/811655201.db2.gz LGFVTJDUQFMIJT-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO CN(CC#N)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267708041 811669973 /nfs/dbraw/zinc/66/99/73/811669973.db2.gz IUNIDDBBCPXEIJ-AWEZNQCLSA-N 1 2 289.383 0.967 20 30 CCEDLO C/C(=C\C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267737346 811710790 /nfs/dbraw/zinc/71/07/90/811710790.db2.gz IATTYVYMBITLSM-RUNBWSAHSA-N 1 2 290.367 0.173 20 30 CCEDLO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267737346 811710799 /nfs/dbraw/zinc/71/07/99/811710799.db2.gz IATTYVYMBITLSM-RUNBWSAHSA-N 1 2 290.367 0.173 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2COC)[C@@H](O)C1 ZINC001083569831 815469549 /nfs/dbraw/zinc/46/95/49/815469549.db2.gz PRICNXOQVHVJJO-NEPJUHHUSA-N 1 2 294.376 0.303 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2COC)[C@@H](O)C1 ZINC001083569831 815469553 /nfs/dbraw/zinc/46/95/53/815469553.db2.gz PRICNXOQVHVJJO-NEPJUHHUSA-N 1 2 294.376 0.303 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001267747241 811734103 /nfs/dbraw/zinc/73/41/03/811734103.db2.gz PXIHAGKINUSRNO-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001267747241 811734112 /nfs/dbraw/zinc/73/41/12/811734112.db2.gz PXIHAGKINUSRNO-GFCCVEGCSA-N 1 2 279.384 0.669 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001267919729 811870746 /nfs/dbraw/zinc/87/07/46/811870746.db2.gz RHMZDKTYMPUHGH-CYBMUJFWSA-N 1 2 290.367 0.173 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001267919729 811870754 /nfs/dbraw/zinc/87/07/54/811870754.db2.gz RHMZDKTYMPUHGH-CYBMUJFWSA-N 1 2 290.367 0.173 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C(C)C)C2)nn1 ZINC001105337008 811956071 /nfs/dbraw/zinc/95/60/71/811956071.db2.gz PHODWBHQUXURNK-GFCCVEGCSA-N 1 2 289.383 0.676 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001268020004 811965456 /nfs/dbraw/zinc/96/54/56/811965456.db2.gz UDFJHYYXYFQOFE-GFCCVEGCSA-N 1 2 282.384 0.995 20 30 CCEDLO C=CCC[N@H+]1CCO[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001268020004 811965461 /nfs/dbraw/zinc/96/54/61/811965461.db2.gz UDFJHYYXYFQOFE-GFCCVEGCSA-N 1 2 282.384 0.995 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001268026150 811998472 /nfs/dbraw/zinc/99/84/72/811998472.db2.gz HRYIRTBCGIUZKY-LBPRGKRZSA-N 1 2 293.342 0.766 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001268026150 811998478 /nfs/dbraw/zinc/99/84/78/811998478.db2.gz HRYIRTBCGIUZKY-LBPRGKRZSA-N 1 2 293.342 0.766 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027858635 812099849 /nfs/dbraw/zinc/09/98/49/812099849.db2.gz FPAZDXIRWVEYBF-ZJUUUORDSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027858635 812099858 /nfs/dbraw/zinc/09/98/58/812099858.db2.gz FPAZDXIRWVEYBF-ZJUUUORDSA-N 1 2 287.747 0.428 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865438 812105956 /nfs/dbraw/zinc/10/59/56/812105956.db2.gz NNRDUXYLYCBLER-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027865438 812105959 /nfs/dbraw/zinc/10/59/59/812105959.db2.gz NNRDUXYLYCBLER-JTQLQIEISA-N 1 2 283.763 0.762 20 30 CCEDLO COCCOCCOCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000125810016 812113372 /nfs/dbraw/zinc/11/33/72/812113372.db2.gz WOKORZFXAPZMPF-CYBMUJFWSA-N 1 2 256.346 0.902 20 30 CCEDLO COCCOCCOCC[N@H+]1CCC[C@H](C#N)C1 ZINC000125810016 812113373 /nfs/dbraw/zinc/11/33/73/812113373.db2.gz WOKORZFXAPZMPF-CYBMUJFWSA-N 1 2 256.346 0.902 20 30 CCEDLO N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027973225 812181651 /nfs/dbraw/zinc/18/16/51/812181651.db2.gz MOKVKRUVXDYINK-OLZOCXBDSA-N 1 2 287.367 0.550 20 30 CCEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccn1 ZINC001168370142 815516837 /nfs/dbraw/zinc/51/68/37/815516837.db2.gz WJYHXXYVORSPNH-GFCCVEGCSA-N 1 2 258.325 0.650 20 30 CCEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccn1 ZINC001168370142 815516839 /nfs/dbraw/zinc/51/68/39/815516839.db2.gz WJYHXXYVORSPNH-GFCCVEGCSA-N 1 2 258.325 0.650 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001268253874 812418569 /nfs/dbraw/zinc/41/85/69/812418569.db2.gz ZVVDFFRTYOYSKY-UONOGXRCSA-N 1 2 291.395 0.172 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001268253874 812418574 /nfs/dbraw/zinc/41/85/74/812418574.db2.gz ZVVDFFRTYOYSKY-UONOGXRCSA-N 1 2 291.395 0.172 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001268438223 812568264 /nfs/dbraw/zinc/56/82/64/812568264.db2.gz PGCIWDLSUXMSHK-UHFFFAOYSA-N 1 2 273.336 0.544 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(CC)CC[NH2+]Cc1nnc(C)o1 ZINC001268447834 812574181 /nfs/dbraw/zinc/57/41/81/812574181.db2.gz HYCRWQMVMGDYJO-AWEZNQCLSA-N 1 2 296.371 0.643 20 30 CCEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058946725 812578455 /nfs/dbraw/zinc/57/84/55/812578455.db2.gz TUDFKQYGGCYSHC-ZDUSSCGKSA-N 1 2 296.334 0.932 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001268467131 812615889 /nfs/dbraw/zinc/61/58/89/812615889.db2.gz ACUWLKMPVMACHK-LLVKDONJSA-N 1 2 282.388 0.446 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126361226 812634666 /nfs/dbraw/zinc/63/46/66/812634666.db2.gz XUVRTWSNKUDWCT-CQSZACIVSA-N 1 2 294.355 0.480 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001268495334 812705107 /nfs/dbraw/zinc/70/51/07/812705107.db2.gz MOVHJAURZKFKMG-LBPRGKRZSA-N 1 2 291.395 0.363 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](O)C1 ZINC001083623803 815561237 /nfs/dbraw/zinc/56/12/37/815561237.db2.gz ZLHTURGUMBGTIO-YPMHNXCESA-N 1 2 295.770 0.477 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](O)C1 ZINC001083623803 815561243 /nfs/dbraw/zinc/56/12/43/815561243.db2.gz ZLHTURGUMBGTIO-YPMHNXCESA-N 1 2 295.770 0.477 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001268941740 813151531 /nfs/dbraw/zinc/15/15/31/813151531.db2.gz DZGBOJNNXHOOKW-OKILXGFUSA-N 1 2 282.347 0.705 20 30 CCEDLO C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001268941740 813151533 /nfs/dbraw/zinc/15/15/33/813151533.db2.gz DZGBOJNNXHOOKW-OKILXGFUSA-N 1 2 282.347 0.705 20 30 CCEDLO C#CC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268941457 813152003 /nfs/dbraw/zinc/15/20/03/813152003.db2.gz AXKJPZXRSGJAOC-UHFFFAOYSA-N 1 2 268.320 0.174 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001269038813 813188278 /nfs/dbraw/zinc/18/82/78/813188278.db2.gz IZWGBDDHJFAWFZ-JSGCOSHPSA-N 1 2 291.395 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001269038813 813188282 /nfs/dbraw/zinc/18/82/82/813188282.db2.gz IZWGBDDHJFAWFZ-JSGCOSHPSA-N 1 2 291.395 0.363 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC2CC2)C1 ZINC001269056509 813194985 /nfs/dbraw/zinc/19/49/85/813194985.db2.gz DZRAFHNSBCQADG-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC2CC2)C1 ZINC001269056509 813194991 /nfs/dbraw/zinc/19/49/91/813194991.db2.gz DZRAFHNSBCQADG-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C[N@@H+]1CCC12CN(C(=O)c1[nH]nc3cc(C#N)ccc31)C2 ZINC001269141864 813235226 /nfs/dbraw/zinc/23/52/26/813235226.db2.gz TWBQLNJYLXTITH-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C[N@H+]1CCC12CN(C(=O)c1[nH]nc3cc(C#N)ccc31)C2 ZINC001269141864 813235231 /nfs/dbraw/zinc/23/52/31/813235231.db2.gz TWBQLNJYLXTITH-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C[N@@H+]1CCC12CN(C(=O)c1n[nH]c3cc(C#N)ccc31)C2 ZINC001269141864 813235237 /nfs/dbraw/zinc/23/52/37/813235237.db2.gz TWBQLNJYLXTITH-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C[N@H+]1CCC12CN(C(=O)c1n[nH]c3cc(C#N)ccc31)C2 ZINC001269141864 813235241 /nfs/dbraw/zinc/23/52/41/813235241.db2.gz TWBQLNJYLXTITH-UHFFFAOYSA-N 1 2 281.319 0.965 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001269356257 813337357 /nfs/dbraw/zinc/33/73/57/813337357.db2.gz NZMSLBTUMSZCDO-YPMHNXCESA-N 1 2 260.341 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001269356257 813337363 /nfs/dbraw/zinc/33/73/63/813337363.db2.gz NZMSLBTUMSZCDO-YPMHNXCESA-N 1 2 260.341 0.347 20 30 CCEDLO CC[C@H](CNC(=O)CSCC#N)[NH2+]Cc1cnsn1 ZINC001269372540 813346413 /nfs/dbraw/zinc/34/64/13/813346413.db2.gz ZAKIMWKCXGHOAU-SECBINFHSA-N 1 2 299.425 0.779 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(CC#N)C1 ZINC001028813330 813539105 /nfs/dbraw/zinc/53/91/05/813539105.db2.gz ANFXOMQQMASYIV-JHJVBQTASA-N 1 2 287.367 0.485 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001038408970 813547909 /nfs/dbraw/zinc/54/79/09/813547909.db2.gz GCXCSZKYFVNRAU-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001038408970 813547915 /nfs/dbraw/zinc/54/79/15/813547915.db2.gz GCXCSZKYFVNRAU-CHWSQXEVSA-N 1 2 286.379 0.903 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001270502601 813788044 /nfs/dbraw/zinc/78/80/44/813788044.db2.gz ZXUABENRTRWIQN-LBPRGKRZSA-N 1 2 292.383 0.159 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COCCOC)C1 ZINC001270629509 813854915 /nfs/dbraw/zinc/85/49/15/813854915.db2.gz QDDBULBWLAVXRE-ZDUSSCGKSA-N 1 2 286.372 0.043 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COCCOC)C1 ZINC001270629509 813854924 /nfs/dbraw/zinc/85/49/24/813854924.db2.gz QDDBULBWLAVXRE-ZDUSSCGKSA-N 1 2 286.372 0.043 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2cccnc2)C1 ZINC001270638415 813866075 /nfs/dbraw/zinc/86/60/75/813866075.db2.gz MDBDIMDJDVEZIP-CQSZACIVSA-N 1 2 275.352 0.627 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2cccnc2)C1 ZINC001270638415 813866086 /nfs/dbraw/zinc/86/60/86/813866086.db2.gz MDBDIMDJDVEZIP-CQSZACIVSA-N 1 2 275.352 0.627 20 30 CCEDLO CC#CC(=O)N1C[C@@H](C(=O)N(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001271095409 814149300 /nfs/dbraw/zinc/14/93/00/814149300.db2.gz UFYOGKRJUCHVFS-VXGBXAGGSA-N 1 2 288.351 0.074 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950236 814283015 /nfs/dbraw/zinc/28/30/15/814283015.db2.gz IIDUBFSSSFUFSE-OLZOCXBDSA-N 1 2 287.367 0.646 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001271298259 814368665 /nfs/dbraw/zinc/36/86/65/814368665.db2.gz YOVQFARAKARTCM-CHWSQXEVSA-N 1 2 280.368 0.130 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2C1 ZINC001088165977 814431702 /nfs/dbraw/zinc/43/17/02/814431702.db2.gz GJPPIKOGDXNPBQ-OLZOCXBDSA-N 1 2 287.367 0.151 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2C1 ZINC001088165977 814431708 /nfs/dbraw/zinc/43/17/08/814431708.db2.gz GJPPIKOGDXNPBQ-OLZOCXBDSA-N 1 2 287.367 0.151 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2csnc2C)C1 ZINC001271957344 814651088 /nfs/dbraw/zinc/65/10/88/814651088.db2.gz HOKBUHHVBXRYOE-CQSZACIVSA-N 1 2 293.392 0.641 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2csnc2C)C1 ZINC001271957344 814651094 /nfs/dbraw/zinc/65/10/94/814651094.db2.gz HOKBUHHVBXRYOE-CQSZACIVSA-N 1 2 293.392 0.641 20 30 CCEDLO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001059847679 814894824 /nfs/dbraw/zinc/89/48/24/814894824.db2.gz OTHJVHAMUUZQTI-BETUJISGSA-N 1 2 296.334 0.978 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H]1C ZINC001088557864 814900380 /nfs/dbraw/zinc/90/03/80/814900380.db2.gz JILBBMTYHZANAD-KOLCDFICSA-N 1 2 297.790 0.987 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H]1C ZINC001088557864 814900386 /nfs/dbraw/zinc/90/03/86/814900386.db2.gz JILBBMTYHZANAD-KOLCDFICSA-N 1 2 297.790 0.987 20 30 CCEDLO C=CCCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105739474 815693738 /nfs/dbraw/zinc/69/37/38/815693738.db2.gz MEUDPYDFSYZVCS-LLVKDONJSA-N 1 2 264.329 0.640 20 30 CCEDLO CO[C@H](C)C[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030196301 815880825 /nfs/dbraw/zinc/88/08/25/815880825.db2.gz MRPKKSQQPQUDHI-SECBINFHSA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCCCCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105830378 815893976 /nfs/dbraw/zinc/89/39/76/815893976.db2.gz BINVPTKSVVSOER-CYBMUJFWSA-N 1 2 290.367 0.868 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105830379 815894692 /nfs/dbraw/zinc/89/46/92/815894692.db2.gz BINVPTKSVVSOER-ZDUSSCGKSA-N 1 2 290.367 0.868 20 30 CCEDLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030223480 815907993 /nfs/dbraw/zinc/90/79/93/815907993.db2.gz XMCYJIWFRXHSQI-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001030372417 816000224 /nfs/dbraw/zinc/00/02/24/816000224.db2.gz FYSFMXVZQHQYBD-UHFFFAOYSA-N 1 2 268.267 0.716 20 30 CCEDLO C=CCN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030513596 816078964 /nfs/dbraw/zinc/07/89/64/816078964.db2.gz NPHJZRNPBNBWDR-UHFFFAOYSA-N 1 2 262.357 0.913 20 30 CCEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CN(CC#N)C1)C2 ZINC001030552889 816104334 /nfs/dbraw/zinc/10/43/34/816104334.db2.gz PFRUTLBKARRPQV-SNVBAGLBSA-N 1 2 273.340 0.147 20 30 CCEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CN(CC#N)C1)CC2 ZINC001030552889 816104337 /nfs/dbraw/zinc/10/43/37/816104337.db2.gz PFRUTLBKARRPQV-SNVBAGLBSA-N 1 2 273.340 0.147 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccccn23)C1 ZINC001030576949 816119071 /nfs/dbraw/zinc/11/90/71/816119071.db2.gz GAWLDEZTMUYNPE-UHFFFAOYSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001030579373 816120433 /nfs/dbraw/zinc/12/04/33/816120433.db2.gz FBIOOBCQLMYSDU-UHFFFAOYSA-N 1 2 285.307 0.101 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2ncc3cccnc32)C1 ZINC001030699454 816232518 /nfs/dbraw/zinc/23/25/18/816232518.db2.gz PTQPLRWJBHVLGU-UHFFFAOYSA-N 1 2 283.335 0.255 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001030794722 816297010 /nfs/dbraw/zinc/29/70/10/816297010.db2.gz WVFALDIJQGRICI-UHFFFAOYSA-N 1 2 250.302 0.116 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001030919410 816437276 /nfs/dbraw/zinc/43/72/76/816437276.db2.gz TUMQHSCLSUVNHG-DGCLKSJQSA-N 1 2 250.342 0.483 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001030921234 816437842 /nfs/dbraw/zinc/43/78/42/816437842.db2.gz AYWXUQJLFWOHKS-WCQYABFASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001038570826 816537897 /nfs/dbraw/zinc/53/78/97/816537897.db2.gz JMPVJQNPKRBLSM-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001038570826 816537901 /nfs/dbraw/zinc/53/79/01/816537901.db2.gz JMPVJQNPKRBLSM-CQSZACIVSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC3(CC)COC3)C[C@@]2(F)C1=O ZINC001272527365 816553252 /nfs/dbraw/zinc/55/32/52/816553252.db2.gz NKNYRVQEGINIPR-LSDHHAIUSA-N 1 2 298.333 0.621 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](CC3(CC)COC3)C[C@@]2(F)C1=O ZINC001272527365 816553254 /nfs/dbraw/zinc/55/32/54/816553254.db2.gz NKNYRVQEGINIPR-LSDHHAIUSA-N 1 2 298.333 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CN2c3ccccc3CC2=O)C1 ZINC001031014571 816562463 /nfs/dbraw/zinc/56/24/63/816562463.db2.gz KCPJKJHPMLPZIO-UHFFFAOYSA-N 1 2 299.374 0.952 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cn2cc(Cl)cn2)C1 ZINC001031025462 816573289 /nfs/dbraw/zinc/57/32/89/816573289.db2.gz IAQYIHPPWOFFNL-UHFFFAOYSA-N 1 2 266.732 0.360 20 30 CCEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@H](C)COC)C2)nn1 ZINC001031079904 816631160 /nfs/dbraw/zinc/63/11/60/816631160.db2.gz OPFAQJQJVOIIQV-LLVKDONJSA-N 1 2 293.371 0.303 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001031114062 816659321 /nfs/dbraw/zinc/65/93/21/816659321.db2.gz ZNYRVLDCVHDWPN-UHFFFAOYSA-N 1 2 298.346 0.780 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001077532768 816675706 /nfs/dbraw/zinc/67/57/06/816675706.db2.gz UUXGTSBDWLTDQL-IJLUTSLNSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001077532768 816675711 /nfs/dbraw/zinc/67/57/11/816675711.db2.gz UUXGTSBDWLTDQL-IJLUTSLNSA-N 1 2 250.342 0.217 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001031149359 816702762 /nfs/dbraw/zinc/70/27/62/816702762.db2.gz IHLZQELQEMOLJZ-UHFFFAOYSA-N 1 2 285.351 0.958 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001083731074 816789041 /nfs/dbraw/zinc/78/90/41/816789041.db2.gz GBLNOMJBKNPMGP-KGLIPLIRSA-N 1 2 288.347 0.955 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001083731074 816789045 /nfs/dbraw/zinc/78/90/45/816789045.db2.gz GBLNOMJBKNPMGP-KGLIPLIRSA-N 1 2 288.347 0.955 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001031318990 816973490 /nfs/dbraw/zinc/97/34/90/816973490.db2.gz DYKFGVBVPKFDJH-GFCCVEGCSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001031320876 816977060 /nfs/dbraw/zinc/97/70/60/816977060.db2.gz JHKZCEKQCZIIDS-UHFFFAOYSA-N 1 2 297.318 0.168 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001031418550 817044902 /nfs/dbraw/zinc/04/49/02/817044902.db2.gz YEIYYTBTAXBJJH-LLVKDONJSA-N 1 2 274.368 0.891 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001031917708 817462990 /nfs/dbraw/zinc/46/29/90/817462990.db2.gz HQDPQCIQMPUZRY-LLVKDONJSA-N 1 2 285.775 0.408 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001124483059 817486221 /nfs/dbraw/zinc/48/62/21/817486221.db2.gz JYSFZKLTZSUJSF-ZDUSSCGKSA-N 1 2 292.383 0.972 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)[C@@H](O)C1 ZINC001083771726 817492227 /nfs/dbraw/zinc/49/22/27/817492227.db2.gz LFLAZMPPACREHO-UHTWSYAYSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)[C@@H](O)C1 ZINC001083771726 817492228 /nfs/dbraw/zinc/49/22/28/817492228.db2.gz LFLAZMPPACREHO-UHTWSYAYSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001077574953 817499029 /nfs/dbraw/zinc/49/90/29/817499029.db2.gz AFUCSLXYIDKUHQ-HUUCEWRRSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001077574953 817499032 /nfs/dbraw/zinc/49/90/32/817499032.db2.gz AFUCSLXYIDKUHQ-HUUCEWRRSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001077575208 817501520 /nfs/dbraw/zinc/50/15/20/817501520.db2.gz LZVOTMBIWGZITR-RRFJBIMHSA-N 1 2 288.322 0.260 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001077575208 817501522 /nfs/dbraw/zinc/50/15/22/817501522.db2.gz LZVOTMBIWGZITR-RRFJBIMHSA-N 1 2 288.322 0.260 20 30 CCEDLO COCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124895815 817621896 /nfs/dbraw/zinc/62/18/96/817621896.db2.gz JMBQBIAJOGIEHF-IUCAKERBSA-N 1 2 281.316 0.142 20 30 CCEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(F)F)nn2)C1 ZINC001107114845 817759703 /nfs/dbraw/zinc/75/97/03/817759703.db2.gz LRRLUWOHXJQBCC-UHFFFAOYSA-N 1 2 299.325 0.982 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001032295718 817797650 /nfs/dbraw/zinc/79/76/50/817797650.db2.gz OICHJOYENOLUTR-STQMWFEESA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001032295718 817797655 /nfs/dbraw/zinc/79/76/55/817797655.db2.gz OICHJOYENOLUTR-STQMWFEESA-N 1 2 262.353 0.864 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C)cn1 ZINC001032304654 817822548 /nfs/dbraw/zinc/82/25/48/817822548.db2.gz RSSDTAXMTLCUKD-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C)cn1 ZINC001032304654 817822555 /nfs/dbraw/zinc/82/25/55/817822555.db2.gz RSSDTAXMTLCUKD-STQMWFEESA-N 1 2 258.325 0.110 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032312621 817842067 /nfs/dbraw/zinc/84/20/67/817842067.db2.gz RZJUFWBBFSUHLK-AVGNSLFASA-N 1 2 290.367 0.054 20 30 CCEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032312621 817842072 /nfs/dbraw/zinc/84/20/72/817842072.db2.gz RZJUFWBBFSUHLK-AVGNSLFASA-N 1 2 290.367 0.054 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 ZINC001077629911 817889714 /nfs/dbraw/zinc/88/97/14/817889714.db2.gz MISPGHXSRLKFSP-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 ZINC001077629911 817889721 /nfs/dbraw/zinc/88/97/21/817889721.db2.gz MISPGHXSRLKFSP-CHWSQXEVSA-N 1 2 276.336 0.640 20 30 CCEDLO Cc1nc(N(C)C)nc(NC[C@@H](C)NC(=O)[C@H](C)C#N)[nH+]1 ZINC001107653009 817917558 /nfs/dbraw/zinc/91/75/58/817917558.db2.gz ODIAWAJRIRJZQT-RKDXNWHRSA-N 1 2 291.359 0.322 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnccn2)C1 ZINC001107704984 817954170 /nfs/dbraw/zinc/95/41/70/817954170.db2.gz VTYAAAPEWRCRHA-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnccn2)C1 ZINC001107704984 817954175 /nfs/dbraw/zinc/95/41/75/817954175.db2.gz VTYAAAPEWRCRHA-CQSZACIVSA-N 1 2 276.340 0.483 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001077662492 817958700 /nfs/dbraw/zinc/95/87/00/817958700.db2.gz LFLAZMPPACREHO-CYZMBNFOSA-N 1 2 278.377 0.646 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001077662492 817958708 /nfs/dbraw/zinc/95/87/08/817958708.db2.gz LFLAZMPPACREHO-CYZMBNFOSA-N 1 2 278.377 0.646 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOC)C1 ZINC001107768362 817994430 /nfs/dbraw/zinc/99/44/30/817994430.db2.gz SFORMHFZGGDJGM-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOC)C1 ZINC001107768362 817994436 /nfs/dbraw/zinc/99/44/36/817994436.db2.gz SFORMHFZGGDJGM-CQSZACIVSA-N 1 2 270.373 0.806 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H](O)C1 ZINC001083808743 818066213 /nfs/dbraw/zinc/06/62/13/818066213.db2.gz RUSHUJFLNSODSL-LEOABGAYSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H](O)C1 ZINC001083808743 818066218 /nfs/dbraw/zinc/06/62/18/818066218.db2.gz RUSHUJFLNSODSL-LEOABGAYSA-N 1 2 290.407 0.997 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001043927705 818197912 /nfs/dbraw/zinc/19/79/12/818197912.db2.gz QTTSIUCXBBUCRW-DGCLKSJQSA-N 1 2 250.342 0.720 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001033290865 818694829 /nfs/dbraw/zinc/69/48/29/818694829.db2.gz ZPIVLIDOFQXSSN-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001033290865 818694831 /nfs/dbraw/zinc/69/48/31/818694831.db2.gz ZPIVLIDOFQXSSN-SMDDNHRTSA-N 1 2 299.802 0.798 20 30 CCEDLO N#Cc1c(F)cccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000700030966 818711934 /nfs/dbraw/zinc/71/19/34/818711934.db2.gz YFSMDMMOTXXTEP-UHFFFAOYSA-N 1 2 283.328 0.681 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C(C)=C/CC)[C@@H](n2ccnn2)C1 ZINC001128785980 819010111 /nfs/dbraw/zinc/01/01/11/819010111.db2.gz UBAWSBJWPIXXDJ-BDPFXEMMSA-N 1 2 287.367 0.609 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C/CC)[C@@H](n2ccnn2)C1 ZINC001128785980 819010116 /nfs/dbraw/zinc/01/01/16/819010116.db2.gz UBAWSBJWPIXXDJ-BDPFXEMMSA-N 1 2 287.367 0.609 20 30 CCEDLO C=CC[N@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034377524 819187890 /nfs/dbraw/zinc/18/78/90/819187890.db2.gz VLRWUKKMNUUHAS-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001034377524 819187895 /nfs/dbraw/zinc/18/78/95/819187895.db2.gz VLRWUKKMNUUHAS-NSHDSACASA-N 1 2 278.356 0.896 20 30 CCEDLO N#CCN1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547342 819240509 /nfs/dbraw/zinc/24/05/09/819240509.db2.gz PPLYRNHIFQQNAH-LBPRGKRZSA-N 1 2 261.329 0.377 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001083863216 819292352 /nfs/dbraw/zinc/29/23/52/819292352.db2.gz MFIHBNFJVMIRRL-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001083863216 819292360 /nfs/dbraw/zinc/29/23/60/819292360.db2.gz MFIHBNFJVMIRRL-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035260858 819426708 /nfs/dbraw/zinc/42/67/08/819426708.db2.gz QJOBSZMGYAJYDW-ZDUSSCGKSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035260858 819426716 /nfs/dbraw/zinc/42/67/16/819426716.db2.gz QJOBSZMGYAJYDW-ZDUSSCGKSA-N 1 2 261.325 0.698 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035291480 819438267 /nfs/dbraw/zinc/43/82/67/819438267.db2.gz XDJPWTFVYNUSII-NEPJUHHUSA-N 1 2 254.330 0.168 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001035291480 819438271 /nfs/dbraw/zinc/43/82/71/819438271.db2.gz XDJPWTFVYNUSII-NEPJUHHUSA-N 1 2 254.330 0.168 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035280509 819446099 /nfs/dbraw/zinc/44/60/99/819446099.db2.gz ZVSBTWJMMQUOEV-CYBMUJFWSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001035280509 819446104 /nfs/dbraw/zinc/44/61/04/819446104.db2.gz ZVSBTWJMMQUOEV-CYBMUJFWSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035300343 819453840 /nfs/dbraw/zinc/45/38/40/819453840.db2.gz XBSBVGLEQWWPCG-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001035300343 819453845 /nfs/dbraw/zinc/45/38/45/819453845.db2.gz XBSBVGLEQWWPCG-LLVKDONJSA-N 1 2 264.329 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035330891 819475311 /nfs/dbraw/zinc/47/53/11/819475311.db2.gz QSENFZFKYYZLCU-LBPRGKRZSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001035330891 819475313 /nfs/dbraw/zinc/47/53/13/819475313.db2.gz QSENFZFKYYZLCU-LBPRGKRZSA-N 1 2 274.324 0.503 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001035394621 819506160 /nfs/dbraw/zinc/50/61/60/819506160.db2.gz MPEZLVMLDYGZRL-ZDUSSCGKSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001035394621 819506163 /nfs/dbraw/zinc/50/61/63/819506163.db2.gz MPEZLVMLDYGZRL-ZDUSSCGKSA-N 1 2 290.367 0.446 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001035408600 819515279 /nfs/dbraw/zinc/51/52/79/819515279.db2.gz KAHYPGGCKRYHJK-LLVKDONJSA-N 1 2 294.355 0.425 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001035408600 819515282 /nfs/dbraw/zinc/51/52/82/819515282.db2.gz KAHYPGGCKRYHJK-LLVKDONJSA-N 1 2 294.355 0.425 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431710 819522859 /nfs/dbraw/zinc/52/28/59/819522859.db2.gz JQHXQJRCPAERHL-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001035431710 819522866 /nfs/dbraw/zinc/52/28/66/819522866.db2.gz JQHXQJRCPAERHL-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001035479021 819531764 /nfs/dbraw/zinc/53/17/64/819531764.db2.gz PQETVBRIEQNUOJ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001035479021 819531768 /nfs/dbraw/zinc/53/17/68/819531768.db2.gz PQETVBRIEQNUOJ-STQMWFEESA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC001035543549 819554134 /nfs/dbraw/zinc/55/41/34/819554134.db2.gz ZKWVHILWANAMNC-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC001035543549 819554139 /nfs/dbraw/zinc/55/41/39/819554139.db2.gz ZKWVHILWANAMNC-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001035547858 819562395 /nfs/dbraw/zinc/56/23/95/819562395.db2.gz OUBYAWOIDWRUIE-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001035547858 819562397 /nfs/dbraw/zinc/56/23/97/819562397.db2.gz OUBYAWOIDWRUIE-CYBMUJFWSA-N 1 2 290.367 0.710 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035551147 819564721 /nfs/dbraw/zinc/56/47/21/819564721.db2.gz DTMDESVRMYBWJL-JTQLQIEISA-N 1 2 266.301 0.076 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001035551147 819564729 /nfs/dbraw/zinc/56/47/29/819564729.db2.gz DTMDESVRMYBWJL-JTQLQIEISA-N 1 2 266.301 0.076 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035762961 819619291 /nfs/dbraw/zinc/61/92/91/819619291.db2.gz XQHIDIJNUVSQOK-UHFFFAOYSA-N 1 2 293.411 0.998 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1NCC#N ZINC001036277400 819718689 /nfs/dbraw/zinc/71/86/89/819718689.db2.gz WZULLFRPWISWTB-OCCSQVGLSA-N 1 2 289.383 0.703 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccncc3c2)[C@@H](O)C1 ZINC001083922736 820273906 /nfs/dbraw/zinc/27/39/06/820273906.db2.gz AIPCRJBQNCRELK-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccncc3c2)[C@@H](O)C1 ZINC001083922736 820273913 /nfs/dbraw/zinc/27/39/13/820273913.db2.gz AIPCRJBQNCRELK-CVEARBPZSA-N 1 2 295.342 0.643 20 30 CCEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001080027610 820504750 /nfs/dbraw/zinc/50/47/50/820504750.db2.gz RENBFRCXYXMUBM-BXUZGUMPSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001080027610 820504751 /nfs/dbraw/zinc/50/47/51/820504751.db2.gz RENBFRCXYXMUBM-BXUZGUMPSA-N 1 2 286.379 0.972 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001081376710 820749981 /nfs/dbraw/zinc/74/99/81/820749981.db2.gz VDNSOQQEFJFJHC-DGCLKSJQSA-N 1 2 261.325 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001081376710 820749989 /nfs/dbraw/zinc/74/99/89/820749989.db2.gz VDNSOQQEFJFJHC-DGCLKSJQSA-N 1 2 261.325 0.087 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@H](OC)C1 ZINC001081804181 820840124 /nfs/dbraw/zinc/84/01/24/820840124.db2.gz RWWWMUPTCUDSHV-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@H](OC)C1 ZINC001081804181 820840132 /nfs/dbraw/zinc/84/01/32/820840132.db2.gz RWWWMUPTCUDSHV-HUUCEWRRSA-N 1 2 287.363 0.706 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@H](OC)C1 ZINC001082146549 820908027 /nfs/dbraw/zinc/90/80/27/820908027.db2.gz JXDRAXXUEJDAOI-ZIAGYGMSSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@H](OC)C1 ZINC001082146549 820908032 /nfs/dbraw/zinc/90/80/32/820908032.db2.gz JXDRAXXUEJDAOI-ZIAGYGMSSA-N 1 2 298.346 0.625 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@H](OC)C1 ZINC001082340578 820943462 /nfs/dbraw/zinc/94/34/62/820943462.db2.gz UJDYARUSKLCDLJ-HUUCEWRRSA-N 1 2 288.347 0.757 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@H](OC)C1 ZINC001082340578 820943475 /nfs/dbraw/zinc/94/34/75/820943475.db2.gz UJDYARUSKLCDLJ-HUUCEWRRSA-N 1 2 288.347 0.757 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)n1 ZINC001082451036 820973050 /nfs/dbraw/zinc/97/30/50/820973050.db2.gz OGVSRFYHGHMPRY-GMTAPVOTSA-N 1 2 291.355 0.728 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnccc3C)[C@H]2C1 ZINC001083033101 821120338 /nfs/dbraw/zinc/12/03/38/821120338.db2.gz DFGMKMYSYOVXDI-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnccc3C)[C@H]2C1 ZINC001083033101 821120347 /nfs/dbraw/zinc/12/03/47/821120347.db2.gz DFGMKMYSYOVXDI-LSDHHAIUSA-N 1 2 285.347 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC001083054792 821128228 /nfs/dbraw/zinc/12/82/28/821128228.db2.gz YSXGATSCRBTXHI-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC001083054792 821128233 /nfs/dbraw/zinc/12/82/33/821128233.db2.gz YSXGATSCRBTXHI-UONOGXRCSA-N 1 2 284.319 0.045 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(C)cc3C)[C@H]2C1 ZINC001083121902 821137498 /nfs/dbraw/zinc/13/74/98/821137498.db2.gz JUJAMWYLRGUDMF-UONOGXRCSA-N 1 2 287.363 0.790 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(C)cc3C)[C@H]2C1 ZINC001083121902 821137503 /nfs/dbraw/zinc/13/75/03/821137503.db2.gz JUJAMWYLRGUDMF-UONOGXRCSA-N 1 2 287.363 0.790 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC3(F)F)[C@H]2C1 ZINC001083116204 821137538 /nfs/dbraw/zinc/13/75/38/821137538.db2.gz JCIGBWSCGCQMRR-SDDRHHMPSA-N 1 2 284.306 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC3(F)F)[C@H]2C1 ZINC001083116204 821137544 /nfs/dbraw/zinc/13/75/44/821137544.db2.gz JCIGBWSCGCQMRR-SDDRHHMPSA-N 1 2 284.306 0.577 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](O)C1 ZINC001083978153 821166179 /nfs/dbraw/zinc/16/61/79/821166179.db2.gz CZKURLZLLKJJII-MNOVXSKESA-N 1 2 294.376 0.555 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@@H](O)C1 ZINC001083978153 821166184 /nfs/dbraw/zinc/16/61/84/821166184.db2.gz CZKURLZLLKJJII-MNOVXSKESA-N 1 2 294.376 0.555 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966039 821173363 /nfs/dbraw/zinc/17/33/63/821173363.db2.gz HLFAEDBOAVQBSV-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966039 821173372 /nfs/dbraw/zinc/17/33/72/821173372.db2.gz HLFAEDBOAVQBSV-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@@H](O)C1 ZINC001083962701 821174014 /nfs/dbraw/zinc/17/40/14/821174014.db2.gz NJUCZOFVUHDIQJ-CFVMTHIKSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@@H](O)C1 ZINC001083962701 821174017 /nfs/dbraw/zinc/17/40/17/821174017.db2.gz NJUCZOFVUHDIQJ-CFVMTHIKSA-N 1 2 272.348 0.585 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084333836 821273667 /nfs/dbraw/zinc/27/36/67/821273667.db2.gz BUQQCBKIFNQGQL-CHWSQXEVSA-N 1 2 250.317 0.902 20 30 CCEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084333836 821273658 /nfs/dbraw/zinc/27/36/58/821273658.db2.gz BUQQCBKIFNQGQL-CHWSQXEVSA-N 1 2 250.317 0.902 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084394315 821286441 /nfs/dbraw/zinc/28/64/41/821286441.db2.gz ATHFMNXZETWKOC-DGCLKSJQSA-N 1 2 273.340 0.399 20 30 CCEDLO N#CCN1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084394315 821286446 /nfs/dbraw/zinc/28/64/46/821286446.db2.gz ATHFMNXZETWKOC-DGCLKSJQSA-N 1 2 273.340 0.399 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575296 821316107 /nfs/dbraw/zinc/31/61/07/821316107.db2.gz BCQQYWKUGUDASP-IJLUTSLNSA-N 1 2 297.786 0.408 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084575296 821316113 /nfs/dbraw/zinc/31/61/13/821316113.db2.gz BCQQYWKUGUDASP-IJLUTSLNSA-N 1 2 297.786 0.408 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084635347 821333930 /nfs/dbraw/zinc/33/39/30/821333930.db2.gz WXAGODVIFLWRMZ-LALPHHSUSA-N 1 2 279.384 0.607 20 30 CCEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084635347 821333941 /nfs/dbraw/zinc/33/39/41/821333941.db2.gz WXAGODVIFLWRMZ-LALPHHSUSA-N 1 2 279.384 0.607 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099821437 821368309 /nfs/dbraw/zinc/36/83/09/821368309.db2.gz UYZMCBTYWBZPHV-VXGBXAGGSA-N 1 2 256.321 0.167 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099821437 821368299 /nfs/dbraw/zinc/36/82/99/821368299.db2.gz UYZMCBTYWBZPHV-VXGBXAGGSA-N 1 2 256.321 0.167 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000820466582 821444138 /nfs/dbraw/zinc/44/41/38/821444138.db2.gz RXGYSSLFCIDADF-UHFFFAOYSA-N 1 2 290.367 0.684 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000820466582 821444142 /nfs/dbraw/zinc/44/41/42/821444142.db2.gz RXGYSSLFCIDADF-UHFFFAOYSA-N 1 2 290.367 0.684 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085591674 821835987 /nfs/dbraw/zinc/83/59/87/821835987.db2.gz PTTPHYUEOXDMMA-CYBMUJFWSA-N 1 2 274.368 0.898 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001085591674 821835997 /nfs/dbraw/zinc/83/59/97/821835997.db2.gz PTTPHYUEOXDMMA-CYBMUJFWSA-N 1 2 274.368 0.898 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085589149 821839070 /nfs/dbraw/zinc/83/90/70/821839070.db2.gz FLNZGOWJBJXIBQ-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001085589149 821839082 /nfs/dbraw/zinc/83/90/82/821839082.db2.gz FLNZGOWJBJXIBQ-LBPRGKRZSA-N 1 2 258.325 0.565 20 30 CCEDLO CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680390 821895258 /nfs/dbraw/zinc/89/52/58/821895258.db2.gz FKEGADNTHBHSHW-STQMWFEESA-N 1 2 287.367 0.502 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085739368 821926355 /nfs/dbraw/zinc/92/63/55/821926355.db2.gz LIRXKOCOMVUCJX-NSHDSACASA-N 1 2 275.308 0.158 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085739368 821926363 /nfs/dbraw/zinc/92/63/63/821926363.db2.gz LIRXKOCOMVUCJX-NSHDSACASA-N 1 2 275.308 0.158 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001273366059 821984447 /nfs/dbraw/zinc/98/44/47/821984447.db2.gz RACAKCBSECLOEF-HNNXBMFYSA-N 1 2 281.400 0.427 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085896431 822006324 /nfs/dbraw/zinc/00/63/24/822006324.db2.gz CZSYZVLXLFBPKZ-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001085896431 822006330 /nfs/dbraw/zinc/00/63/30/822006330.db2.gz CZSYZVLXLFBPKZ-LBPRGKRZSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001085922632 822016368 /nfs/dbraw/zinc/01/63/68/822016368.db2.gz HJIBWWJKEYBKHB-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001085922632 822016378 /nfs/dbraw/zinc/01/63/78/822016378.db2.gz HJIBWWJKEYBKHB-VXGBXAGGSA-N 1 2 287.367 0.076 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085947449 822031819 /nfs/dbraw/zinc/03/18/19/822031819.db2.gz JCGLZYRPEAFUPY-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1OC ZINC001085947449 822031827 /nfs/dbraw/zinc/03/18/27/822031827.db2.gz JCGLZYRPEAFUPY-NSHDSACASA-N 1 2 276.340 0.208 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc2nccc(C)n2n1 ZINC001085958520 822039829 /nfs/dbraw/zinc/03/98/29/822039829.db2.gz DLOYVSCVVSOFDO-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc2nccc(C)n2n1 ZINC001085958520 822039838 /nfs/dbraw/zinc/03/98/38/822039838.db2.gz DLOYVSCVVSOFDO-GFCCVEGCSA-N 1 2 298.350 0.212 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001108231499 822064190 /nfs/dbraw/zinc/06/41/90/822064190.db2.gz VUXPYYJMTHXREP-NYTXWWLZSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001108231499 822064199 /nfs/dbraw/zinc/06/41/99/822064199.db2.gz VUXPYYJMTHXREP-NYTXWWLZSA-N 1 2 294.395 0.947 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001108233365 822068065 /nfs/dbraw/zinc/06/80/65/822068065.db2.gz SHXISMMOMQZGBO-HIFRSBDPSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001108233365 822068073 /nfs/dbraw/zinc/06/80/73/822068073.db2.gz SHXISMMOMQZGBO-HIFRSBDPSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108270390 822235584 /nfs/dbraw/zinc/23/55/84/822235584.db2.gz IPKHHPUXWMBPTQ-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001108270390 822235592 /nfs/dbraw/zinc/23/55/92/822235592.db2.gz IPKHHPUXWMBPTQ-CQSZACIVSA-N 1 2 278.356 0.725 20 30 CCEDLO COC(=O)C1(C)CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001168774620 822239786 /nfs/dbraw/zinc/23/97/86/822239786.db2.gz KVRHBDTVVCRNCX-LXVYMNJGSA-N 1 2 265.357 0.906 20 30 CCEDLO CCc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114064418 837425676 /nfs/dbraw/zinc/42/56/76/837425676.db2.gz QVHWSOKTFIBWNQ-WUWHUORYSA-N 1 2 288.351 0.943 20 30 CCEDLO CCc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001114064418 837425681 /nfs/dbraw/zinc/42/56/81/837425681.db2.gz QVHWSOKTFIBWNQ-WUWHUORYSA-N 1 2 288.351 0.943 20 30 CCEDLO Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114253107 837487407 /nfs/dbraw/zinc/48/74/07/837487407.db2.gz HZZUPTQWNYKTBY-VIKVFOODSA-N 1 2 284.363 0.380 20 30 CCEDLO Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114253107 837487415 /nfs/dbraw/zinc/48/74/15/837487415.db2.gz HZZUPTQWNYKTBY-VIKVFOODSA-N 1 2 284.363 0.380 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114253520 837487560 /nfs/dbraw/zinc/48/75/60/837487560.db2.gz PTCYTNWLUXVVGS-VIKVFOODSA-N 1 2 282.347 0.436 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114253520 837487566 /nfs/dbraw/zinc/48/75/66/837487566.db2.gz PTCYTNWLUXVVGS-VIKVFOODSA-N 1 2 282.347 0.436 20 30 CCEDLO CC(C)C[C@H](NC(=O)CCc1ccc(N)[nH+]c1)C(=O)NO ZINC001183937166 844114396 /nfs/dbraw/zinc/11/43/96/844114396.db2.gz NPXYZMHWYKEVMQ-NSHDSACASA-N 1 2 294.355 0.633 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001108430923 836078557 /nfs/dbraw/zinc/07/85/57/836078557.db2.gz QFNUMNXPPOZZKE-NSHDSACASA-N 1 2 284.323 0.188 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001108433043 836092418 /nfs/dbraw/zinc/09/24/18/836092418.db2.gz WPDCRNWFXYSPDH-UKRRQHHQSA-N 1 2 282.384 0.971 20 30 CCEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108433043 836092429 /nfs/dbraw/zinc/09/24/29/836092429.db2.gz WPDCRNWFXYSPDH-UKRRQHHQSA-N 1 2 282.384 0.971 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC3)C[NH2+]1 ZINC001169130615 836146914 /nfs/dbraw/zinc/14/69/14/836146914.db2.gz QRNPJWGQAPMEIG-MFKMUULPSA-N 1 2 286.335 0.757 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCC)CC2=O)C1 ZINC001108510026 836374107 /nfs/dbraw/zinc/37/41/07/836374107.db2.gz NDPXFULLIBEHGM-LBPRGKRZSA-N 1 2 279.384 0.764 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCOC)CC2=O)C1 ZINC001108510579 836376334 /nfs/dbraw/zinc/37/63/34/836376334.db2.gz XPSVBHUPOQUBDQ-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001109246041 836645628 /nfs/dbraw/zinc/64/56/28/836645628.db2.gz MMNDNUGMFKWBIO-NDBYEHHHSA-N 1 2 277.368 0.241 20 30 CCEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001109246041 836645634 /nfs/dbraw/zinc/64/56/34/836645634.db2.gz MMNDNUGMFKWBIO-NDBYEHHHSA-N 1 2 277.368 0.241 20 30 CCEDLO CCCC#CC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001184274422 844190042 /nfs/dbraw/zinc/19/00/42/844190042.db2.gz OXRKDXSMVAJFND-LBPRGKRZSA-N 1 2 277.324 0.424 20 30 CCEDLO CN(CCCNc1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001109472202 836690368 /nfs/dbraw/zinc/69/03/68/836690368.db2.gz AEHARVBYCZCWGA-UHFFFAOYSA-N 1 2 299.338 0.505 20 30 CCEDLO O=C(C#CC1CC1)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112832411 836931743 /nfs/dbraw/zinc/93/17/43/836931743.db2.gz VYERUBBEKQHZJH-UHFFFAOYSA-N 1 2 276.380 0.971 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CNC(=O)c2ccoc2)CC1 ZINC001112875831 836948713 /nfs/dbraw/zinc/94/87/13/836948713.db2.gz JPVPMOHVBXRUFJ-UHFFFAOYSA-N 1 2 289.335 0.177 20 30 CCEDLO C=C(C)CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001112904352 836957557 /nfs/dbraw/zinc/95/75/57/836957557.db2.gz PZQBTVUTKFWHCM-UHFFFAOYSA-N 1 2 277.372 0.779 20 30 CCEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113081844 837018366 /nfs/dbraw/zinc/01/83/66/837018366.db2.gz KDWLEPKTLWLJIN-MNOVXSKESA-N 1 2 299.338 0.550 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001113256554 837069885 /nfs/dbraw/zinc/06/98/85/837069885.db2.gz HFSQHTXKTXRDFK-CQSZACIVSA-N 1 2 286.347 0.462 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001113353363 837096968 /nfs/dbraw/zinc/09/69/68/837096968.db2.gz BVTOAFOCMHOJSD-UHFFFAOYSA-N 1 2 292.383 0.987 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccncn2)CC1 ZINC001113443079 837116916 /nfs/dbraw/zinc/11/69/16/837116916.db2.gz XTYWSXTUCHDMIN-UHFFFAOYSA-N 1 2 276.340 0.437 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)NCC)CC1 ZINC001113554595 837157538 /nfs/dbraw/zinc/15/75/38/837157538.db2.gz LCIFSZUGKBHRBW-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC001113559104 837160158 /nfs/dbraw/zinc/16/01/58/837160158.db2.gz COOKURHAMFGRKZ-UHFFFAOYSA-N 1 2 293.411 0.849 20 30 CCEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1nccnc1C#N ZINC001113695729 837197489 /nfs/dbraw/zinc/19/74/89/837197489.db2.gz JNFPKGORJXSPJZ-SNVBAGLBSA-N 1 2 299.338 0.255 20 30 CCEDLO COC(=O)C1([NH2+]CCCSCC#N)CCOCC1 ZINC001170308522 837308385 /nfs/dbraw/zinc/30/83/85/837308385.db2.gz UZDHSFKNPSSYOX-UHFFFAOYSA-N 1 2 272.370 0.945 20 30 CCEDLO CCOC(=O)[C@@H](C#N)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001170368852 837314949 /nfs/dbraw/zinc/31/49/49/837314949.db2.gz QJUDVLHORPVQNW-LLVKDONJSA-N 1 2 275.312 0.332 20 30 CCEDLO CCOC(=O)[C@@H](C#N)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001170368852 837314972 /nfs/dbraw/zinc/31/49/72/837314972.db2.gz QJUDVLHORPVQNW-LLVKDONJSA-N 1 2 275.312 0.332 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCCC)NC=O)CC1 ZINC001184581738 844262000 /nfs/dbraw/zinc/26/20/00/844262000.db2.gz IGFOWYABHROOQN-ZDUSSCGKSA-N 1 2 267.373 0.621 20 30 CCEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)c1cncc(C#N)n1 ZINC001113898050 837359054 /nfs/dbraw/zinc/35/90/54/837359054.db2.gz KAMKYEOPMUOPIB-JTQLQIEISA-N 1 2 299.338 0.255 20 30 CCEDLO CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131729078 838191888 /nfs/dbraw/zinc/19/18/88/838191888.db2.gz BSUUANRSFGUQOG-QWRGUYRKSA-N 1 2 266.345 0.005 20 30 CCEDLO CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131729078 838191896 /nfs/dbraw/zinc/19/18/96/838191896.db2.gz BSUUANRSFGUQOG-QWRGUYRKSA-N 1 2 266.345 0.005 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131780211 838222895 /nfs/dbraw/zinc/22/28/95/838222895.db2.gz NSVYYMDSUGXSES-NWDGAFQWSA-N 1 2 299.440 0.621 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131780211 838222900 /nfs/dbraw/zinc/22/29/00/838222900.db2.gz NSVYYMDSUGXSES-NWDGAFQWSA-N 1 2 299.440 0.621 20 30 CCEDLO C#CCC[N@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131874697 838252066 /nfs/dbraw/zinc/25/20/66/838252066.db2.gz CGFUKTDMSCYYJE-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CCC[N@@H+]1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001131874697 838252073 /nfs/dbraw/zinc/25/20/73/838252073.db2.gz CGFUKTDMSCYYJE-NWDGAFQWSA-N 1 2 286.397 0.023 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)CC[C@H]1C ZINC001131955055 838276015 /nfs/dbraw/zinc/27/60/15/838276015.db2.gz HXPKKDRNRJLGSY-NEPJUHHUSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)CC[C@H]1C ZINC001131955055 838276022 /nfs/dbraw/zinc/27/60/22/838276022.db2.gz HXPKKDRNRJLGSY-NEPJUHHUSA-N 1 2 275.356 0.340 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2(C)CC2)CC[C@H]1C ZINC001132053717 838307447 /nfs/dbraw/zinc/30/74/47/838307447.db2.gz DIHZMMUVDYBPNR-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(C)CC2)CC[C@H]1C ZINC001132053717 838307453 /nfs/dbraw/zinc/30/74/53/838307453.db2.gz DIHZMMUVDYBPNR-CHWSQXEVSA-N 1 2 291.395 0.505 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132301694 838356013 /nfs/dbraw/zinc/35/60/13/838356013.db2.gz DRGHTPWZTWTVMV-UHFFFAOYSA-N 1 2 295.387 0.944 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001132569133 838438062 /nfs/dbraw/zinc/43/80/62/838438062.db2.gz LGLVKBCQTDAFPQ-MNOVXSKESA-N 1 2 295.387 0.800 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2ncc(C)o2)c1 ZINC001133589497 838674020 /nfs/dbraw/zinc/67/40/20/838674020.db2.gz NARYTLFWPRKZAP-UHFFFAOYSA-N 1 2 284.319 0.879 20 30 CCEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2ncccn2)c1 ZINC001133593137 838676889 /nfs/dbraw/zinc/67/68/89/838676889.db2.gz PWOPHQNAMMKFSA-UHFFFAOYSA-N 1 2 281.319 0.373 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514724 838793075 /nfs/dbraw/zinc/79/30/75/838793075.db2.gz OYQLGEWKGVEXAJ-VXGBXAGGSA-N 1 2 299.758 0.521 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514724 838793086 /nfs/dbraw/zinc/79/30/86/838793086.db2.gz OYQLGEWKGVEXAJ-VXGBXAGGSA-N 1 2 299.758 0.521 20 30 CCEDLO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408161 839241681 /nfs/dbraw/zinc/24/16/81/839241681.db2.gz TYGOQPAIPOZAMF-GHMZBOCLSA-N 1 2 296.346 0.685 20 30 CCEDLO C=C(Br)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135517027 839271430 /nfs/dbraw/zinc/27/14/30/839271430.db2.gz YBRDLULREONTIB-UHFFFAOYSA-N 1 2 274.122 0.033 20 30 CCEDLO C=C(Br)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135517027 839271435 /nfs/dbraw/zinc/27/14/35/839271435.db2.gz YBRDLULREONTIB-UHFFFAOYSA-N 1 2 274.122 0.033 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090672273 839726095 /nfs/dbraw/zinc/72/60/95/839726095.db2.gz REDXDUTYDIEUPS-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090672273 839726100 /nfs/dbraw/zinc/72/61/00/839726100.db2.gz REDXDUTYDIEUPS-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)nc1 ZINC001090737006 839766316 /nfs/dbraw/zinc/76/63/16/839766316.db2.gz MKROEUSIQIHUEM-TZMCWYRMSA-N 1 2 291.326 0.197 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)nc1 ZINC001090737006 839766323 /nfs/dbraw/zinc/76/63/23/839766323.db2.gz MKROEUSIQIHUEM-TZMCWYRMSA-N 1 2 291.326 0.197 20 30 CCEDLO C=CCOC(=O)[C@@H](N)CCCCNc1cnc(C[NH3+])nc1 ZINC001171069560 839820543 /nfs/dbraw/zinc/82/05/43/839820543.db2.gz LAJLLRXVRCCNFG-LBPRGKRZSA-N 1 2 293.371 0.574 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090810017 839826430 /nfs/dbraw/zinc/82/64/30/839826430.db2.gz WKPXURRUTARKNI-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090810017 839826436 /nfs/dbraw/zinc/82/64/36/839826436.db2.gz WKPXURRUTARKNI-ZYHUDNBSSA-N 1 2 298.774 0.338 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CC(=O)OC)CC1 ZINC001144377769 840024660 /nfs/dbraw/zinc/02/46/60/840024660.db2.gz YLZQXCRXQJPGMN-GFCCVEGCSA-N 1 2 268.357 0.906 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001273515440 844511973 /nfs/dbraw/zinc/51/19/73/844511973.db2.gz WNSOVSFEBHOSAF-CYBMUJFWSA-N 1 2 293.367 0.993 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001273515440 844511980 /nfs/dbraw/zinc/51/19/80/844511980.db2.gz WNSOVSFEBHOSAF-CYBMUJFWSA-N 1 2 293.367 0.993 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001147165965 840507809 /nfs/dbraw/zinc/50/78/09/840507809.db2.gz PDCYYSYUDCFRPD-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001147165965 840507826 /nfs/dbraw/zinc/50/78/26/840507826.db2.gz PDCYYSYUDCFRPD-UHFFFAOYSA-N 1 2 289.383 0.816 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn[nH]c1)c1nccn12 ZINC001092352278 841006864 /nfs/dbraw/zinc/00/68/64/841006864.db2.gz IKDAQYLMIFIOFZ-GFCCVEGCSA-N 1 2 298.350 0.678 20 30 CCEDLO N#Cc1ccc(NCCCNC(=O)Cn2cc[nH+]c2)nn1 ZINC001094472249 841641615 /nfs/dbraw/zinc/64/16/15/841641615.db2.gz XQICFRMCHRATDS-UHFFFAOYSA-N 1 2 285.311 0.163 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001094549349 841672405 /nfs/dbraw/zinc/67/24/05/841672405.db2.gz HYNNKZZKDNJBSH-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(F)F)CC2=O)C1 ZINC001094695747 841706780 /nfs/dbraw/zinc/70/67/80/841706780.db2.gz XTFFFJJLADJDCF-VIFPVBQESA-N 1 2 287.310 0.229 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 ZINC001094774980 841719988 /nfs/dbraw/zinc/71/99/88/841719988.db2.gz QJAKUPPUFFEEKH-OBJOEFQTSA-N 1 2 291.395 0.620 20 30 CCEDLO N#Cc1nccnc1NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001094808382 841728152 /nfs/dbraw/zinc/72/81/52/841728152.db2.gz MOVVHDUJDVYLAK-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094856390 841776057 /nfs/dbraw/zinc/77/60/57/841776057.db2.gz YTWPQKNNZHEPPO-UHFFFAOYSA-N 1 2 298.350 0.649 20 30 CCEDLO N#Cc1cnccc1NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094856390 841776064 /nfs/dbraw/zinc/77/60/64/841776064.db2.gz YTWPQKNNZHEPPO-UHFFFAOYSA-N 1 2 298.350 0.649 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670012 841954128 /nfs/dbraw/zinc/95/41/28/841954128.db2.gz NWJZADYWIKIEOU-HOTGVXAUSA-N 1 2 298.390 0.975 20 30 CCEDLO N#Cc1nccc(NC2(CNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001110169535 842052322 /nfs/dbraw/zinc/05/23/22/842052322.db2.gz SQMCQPNOMFQLAI-UHFFFAOYSA-N 1 2 297.322 0.306 20 30 CCEDLO C[NH+](C)[C@@H](C(=O)NCCCNCC#N)c1cccnc1 ZINC001177064372 842498661 /nfs/dbraw/zinc/49/86/61/842498661.db2.gz OERUEEOEDBGXDF-CYBMUJFWSA-N 1 2 275.356 0.304 20 30 CCEDLO N#Cc1nc(N)c(NC(=O)CCc2[nH]cc[nH+]2)nc1C#N ZINC001177992778 842734055 /nfs/dbraw/zinc/73/40/55/842734055.db2.gz DWRSYNPUCBHXHT-UHFFFAOYSA-N 1 2 282.267 0.097 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224681 842929316 /nfs/dbraw/zinc/92/93/16/842929316.db2.gz SLZXGGIQGNXDTO-MCIONIFRSA-N 1 2 291.395 0.810 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110224681 842929321 /nfs/dbraw/zinc/92/93/21/842929321.db2.gz SLZXGGIQGNXDTO-MCIONIFRSA-N 1 2 291.395 0.810 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001180673558 843244823 /nfs/dbraw/zinc/24/48/23/843244823.db2.gz PBWJPDVUGOAWNO-GFCCVEGCSA-N 1 2 259.313 0.457 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001180673558 843244832 /nfs/dbraw/zinc/24/48/32/843244832.db2.gz PBWJPDVUGOAWNO-GFCCVEGCSA-N 1 2 259.313 0.457 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110242235 843393075 /nfs/dbraw/zinc/39/30/75/843393075.db2.gz SCFVISWHPVSHFT-UPJWGTAASA-N 1 2 277.368 0.257 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110242235 843393085 /nfs/dbraw/zinc/39/30/85/843393085.db2.gz SCFVISWHPVSHFT-UPJWGTAASA-N 1 2 277.368 0.257 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001181618675 843555551 /nfs/dbraw/zinc/55/55/51/843555551.db2.gz XICAKYRACFDFSD-CMPLNLGQSA-N 1 2 294.355 0.832 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1 ZINC001181739347 843590417 /nfs/dbraw/zinc/59/04/17/843590417.db2.gz DFBFZEJUEYRICY-NSHDSACASA-N 1 2 254.330 0.468 20 30 CCEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182505103 843847245 /nfs/dbraw/zinc/84/72/45/843847245.db2.gz PTBFXXWOCHLYPA-WDEREUQCSA-N 1 2 294.380 0.267 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001110394744 844735271 /nfs/dbraw/zinc/73/52/71/844735271.db2.gz KMWWVYDIYWJMFL-OXHZDVMGSA-N 1 2 287.367 0.801 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001110394744 844735272 /nfs/dbraw/zinc/73/52/72/844735272.db2.gz KMWWVYDIYWJMFL-OXHZDVMGSA-N 1 2 287.367 0.801 20 30 CCEDLO N#C[C@@H]1CNCCN1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190086071 845325667 /nfs/dbraw/zinc/32/56/67/845325667.db2.gz PZSJTILTHFIJKJ-GFCCVEGCSA-N 1 2 281.319 0.810 20 30 CCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C#N)c2F)C1 ZINC001190557754 845428457 /nfs/dbraw/zinc/42/84/57/845428457.db2.gz VTSRANPXSQZECX-NSHDSACASA-N 1 2 277.299 0.758 20 30 CCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C#N)c2F)C1 ZINC001190557754 845428462 /nfs/dbraw/zinc/42/84/62/845428462.db2.gz VTSRANPXSQZECX-NSHDSACASA-N 1 2 277.299 0.758 20 30 CCEDLO C=CCOCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001273614302 845579143 /nfs/dbraw/zinc/57/91/43/845579143.db2.gz VIPJUORADWPVMA-UHFFFAOYSA-N 1 2 254.330 0.122 20 30 CCEDLO COCCn1c[nH+]cc1CNC(=O)c1ccnc(C#N)c1 ZINC001191557455 845690628 /nfs/dbraw/zinc/69/06/28/845690628.db2.gz BQBPAPGNBVFNPS-UHFFFAOYSA-N 1 2 285.307 0.726 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCCC)C1 ZINC001191598711 845700129 /nfs/dbraw/zinc/70/01/29/845700129.db2.gz PBSNYIOWSHCDDQ-BFHYXJOUSA-N 1 2 282.384 0.376 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCCC)C1 ZINC001191598711 845700135 /nfs/dbraw/zinc/70/01/35/845700135.db2.gz PBSNYIOWSHCDDQ-BFHYXJOUSA-N 1 2 282.384 0.376 20 30 CCEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O)CC ZINC001192207071 845802082 /nfs/dbraw/zinc/80/20/82/845802082.db2.gz YGCNYJHYHPZEQC-HUUCEWRRSA-N 1 2 294.395 0.544 20 30 CCEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O)CC ZINC001192207071 845802087 /nfs/dbraw/zinc/80/20/87/845802087.db2.gz YGCNYJHYHPZEQC-HUUCEWRRSA-N 1 2 294.395 0.544 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001192600052 845880423 /nfs/dbraw/zinc/88/04/23/845880423.db2.gz TVSHCEILGDRRCE-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001192600052 845880434 /nfs/dbraw/zinc/88/04/34/845880434.db2.gz TVSHCEILGDRRCE-ZIAGYGMSSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001192590294 845881275 /nfs/dbraw/zinc/88/12/75/845881275.db2.gz HIIQZGIYZNVTRZ-JHJVBQTASA-N 1 2 252.358 0.607 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001192590294 845881281 /nfs/dbraw/zinc/88/12/81/845881281.db2.gz HIIQZGIYZNVTRZ-JHJVBQTASA-N 1 2 252.358 0.607 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C(C)C)C1 ZINC001192851957 845921140 /nfs/dbraw/zinc/92/11/40/845921140.db2.gz ANKZPEFJFSALKM-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C(C)C)C1 ZINC001192851957 845921145 /nfs/dbraw/zinc/92/11/45/845921145.db2.gz ANKZPEFJFSALKM-MCIONIFRSA-N 1 2 282.384 0.232 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001193195381 846015277 /nfs/dbraw/zinc/01/52/77/846015277.db2.gz ZZCMWDHRGVDUSN-MRVPVSSYSA-N 1 2 282.300 0.805 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001193178825 846024952 /nfs/dbraw/zinc/02/49/52/846024952.db2.gz RARMXMGDJCCEFG-AAEUAGOBSA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001193178825 846024953 /nfs/dbraw/zinc/02/49/53/846024953.db2.gz RARMXMGDJCCEFG-AAEUAGOBSA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001193178882 846025133 /nfs/dbraw/zinc/02/51/33/846025133.db2.gz RNHKAHBBOXMVJP-DGCLKSJQSA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001193178882 846025136 /nfs/dbraw/zinc/02/51/36/846025136.db2.gz RNHKAHBBOXMVJP-DGCLKSJQSA-N 1 2 294.380 0.487 20 30 CCEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001193184971 846029270 /nfs/dbraw/zinc/02/92/70/846029270.db2.gz CAWRYIABXVCDTP-SECBINFHSA-N 1 2 268.342 0.625 20 30 CCEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccccc2N)CC1 ZINC001193964716 846188041 /nfs/dbraw/zinc/18/80/41/846188041.db2.gz UNIRXAXWOXBWNF-UHFFFAOYSA-N 1 2 294.380 0.535 20 30 CCEDLO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785760 846623052 /nfs/dbraw/zinc/62/30/52/846623052.db2.gz UGWVWUVSNJSJSA-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785760 846623055 /nfs/dbraw/zinc/62/30/55/846623055.db2.gz UGWVWUVSNJSJSA-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001196542690 846769289 /nfs/dbraw/zinc/76/92/89/846769289.db2.gz AJXJVGLFOPTQDK-RBSFLKMASA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001196542690 846769302 /nfs/dbraw/zinc/76/93/02/846769302.db2.gz AJXJVGLFOPTQDK-RBSFLKMASA-N 1 2 294.395 0.519 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001197852381 846981738 /nfs/dbraw/zinc/98/17/38/846981738.db2.gz WYOHLDPFAMPLFS-HBNTYKKESA-N 1 2 292.301 0.760 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001197852381 846981741 /nfs/dbraw/zinc/98/17/41/846981741.db2.gz WYOHLDPFAMPLFS-HBNTYKKESA-N 1 2 292.301 0.760 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001199164228 847238503 /nfs/dbraw/zinc/23/85/03/847238503.db2.gz QOHVATCUZOHUFW-NWANDNLSSA-N 1 2 294.395 0.234 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001199164228 847238513 /nfs/dbraw/zinc/23/85/13/847238513.db2.gz QOHVATCUZOHUFW-NWANDNLSSA-N 1 2 294.395 0.234 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001199313823 847290477 /nfs/dbraw/zinc/29/04/77/847290477.db2.gz MHUNGEVKIZKJMJ-GKUNOOHESA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001199313823 847290484 /nfs/dbraw/zinc/29/04/84/847290484.db2.gz MHUNGEVKIZKJMJ-GKUNOOHESA-N 1 2 288.775 0.493 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@H](O)C(C)C)C2)OCC1=O ZINC001273892482 847764061 /nfs/dbraw/zinc/76/40/61/847764061.db2.gz PYSASTYSJUEVQI-LBPRGKRZSA-N 1 2 268.357 0.103 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N)s1 ZINC001273909544 847820548 /nfs/dbraw/zinc/82/05/48/847820548.db2.gz HVQKPIZQJAFCQD-TYRPZCRBSA-N 1 2 279.369 0.768 20 30 CCEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OC)CC2 ZINC001273931276 847865475 /nfs/dbraw/zinc/86/54/75/847865475.db2.gz HSUFDZZZUBGQGJ-NSHDSACASA-N 1 2 264.325 0.011 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C/C[NH2+]Cc1nncs1 ZINC001274006146 848297034 /nfs/dbraw/zinc/29/70/34/848297034.db2.gz CPVBNJFTLGHTFO-ONEGZZNKSA-N 1 2 278.381 0.960 20 30 CCEDLO CC[C@@H](NC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2)C(N)=O ZINC001274031530 848312390 /nfs/dbraw/zinc/31/23/90/848312390.db2.gz UADZCZZCIVMVGN-VXGBXAGGSA-N 1 2 292.383 0.382 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@H](O)CCCC)C2)OCC1=O ZINC001274573243 848509515 /nfs/dbraw/zinc/50/95/15/848509515.db2.gz SBXJQSWINMIOME-CYBMUJFWSA-N 1 2 282.384 0.637 20 30 CCEDLO C=CCN1CC2(C[NH+](C[C@@H](O)CCCC)C2)OCC1=O ZINC001274573245 848510544 /nfs/dbraw/zinc/51/05/44/848510544.db2.gz SBXJQSWINMIOME-ZDUSSCGKSA-N 1 2 282.384 0.637 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3ncccc3C#N)C[C@@H](C1)O2 ZINC001274590845 848514332 /nfs/dbraw/zinc/51/43/32/848514332.db2.gz GKSNFBGDPADTBV-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ncccc3C#N)C[C@@H](C1)O2 ZINC001274590845 848514335 /nfs/dbraw/zinc/51/43/35/848514335.db2.gz GKSNFBGDPADTBV-TXEJJXNPSA-N 1 2 272.308 0.108 20 30 CCEDLO N#Cc1cc(F)cc(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000718626695 848677248 /nfs/dbraw/zinc/67/72/48/848677248.db2.gz NUCXZRSGXVKZCX-AWEZNQCLSA-N 1 2 279.315 0.802 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001275553161 848760490 /nfs/dbraw/zinc/76/04/90/848760490.db2.gz XEJPXHCIEBWNCT-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001275553161 848760493 /nfs/dbraw/zinc/76/04/93/848760493.db2.gz XEJPXHCIEBWNCT-ZDUSSCGKSA-N 1 2 292.383 0.397 20 30 CCEDLO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C#N)c3F)C[C@@H](C1)O2 ZINC001275660598 848785664 /nfs/dbraw/zinc/78/56/64/848785664.db2.gz WDKVOBWOIWTVBD-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C#N)c3F)C[C@@H](C1)O2 ZINC001275660598 848785669 /nfs/dbraw/zinc/78/56/69/848785669.db2.gz WDKVOBWOIWTVBD-TXEJJXNPSA-N 1 2 289.310 0.852 20 30 CCEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001095610177 848998406 /nfs/dbraw/zinc/99/84/06/848998406.db2.gz HCUVCBXMHAAXGW-NIFZNCRKSA-N 1 2 291.395 0.060 20 30 CCEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001095610177 848998411 /nfs/dbraw/zinc/99/84/11/848998411.db2.gz HCUVCBXMHAAXGW-NIFZNCRKSA-N 1 2 291.395 0.060 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110903793 849020260 /nfs/dbraw/zinc/02/02/60/849020260.db2.gz VESLXBPXGMWSBO-XQHKEYJVSA-N 1 2 295.358 0.205 20 30 CCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110903793 849020272 /nfs/dbraw/zinc/02/02/72/849020272.db2.gz VESLXBPXGMWSBO-XQHKEYJVSA-N 1 2 295.358 0.205 20 30 CCEDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1nccnc1C#N ZINC001095746681 849133308 /nfs/dbraw/zinc/13/33/08/849133308.db2.gz XCGQRSMVBIHWGM-UHFFFAOYSA-N 1 2 299.338 0.257 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)OC)C1 ZINC001276350098 849441761 /nfs/dbraw/zinc/44/17/61/849441761.db2.gz DNEYPWKWIFGFQK-YPMHNXCESA-N 1 2 297.399 0.150 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001015479310 849750626 /nfs/dbraw/zinc/75/06/26/849750626.db2.gz ARGOECMYERDMMK-FZMZJTMJSA-N 1 2 285.347 0.346 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001015479310 849750629 /nfs/dbraw/zinc/75/06/29/849750629.db2.gz ARGOECMYERDMMK-FZMZJTMJSA-N 1 2 285.347 0.346 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccn1CC ZINC001038216421 849817893 /nfs/dbraw/zinc/81/78/93/849817893.db2.gz KUBAMLBRVFGRSI-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccn1CC ZINC001038216421 849817902 /nfs/dbraw/zinc/81/79/02/849817902.db2.gz KUBAMLBRVFGRSI-LBPRGKRZSA-N 1 2 260.341 0.730 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038334684 849854650 /nfs/dbraw/zinc/85/46/50/849854650.db2.gz BROQCGIDROZMKF-CYBMUJFWSA-N 1 2 287.363 0.915 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038334684 849854656 /nfs/dbraw/zinc/85/46/56/849854656.db2.gz BROQCGIDROZMKF-CYBMUJFWSA-N 1 2 287.363 0.915 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341850 849858185 /nfs/dbraw/zinc/85/81/85/849858185.db2.gz OKSXJVZMOCAEJI-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001038341850 849858188 /nfs/dbraw/zinc/85/81/88/849858188.db2.gz OKSXJVZMOCAEJI-GFCCVEGCSA-N 1 2 283.335 0.557 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001038369907 849865308 /nfs/dbraw/zinc/86/53/08/849865308.db2.gz YLKSJJPKJRMVCH-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001038369907 849865322 /nfs/dbraw/zinc/86/53/22/849865322.db2.gz YLKSJJPKJRMVCH-HNNXBMFYSA-N 1 2 295.346 0.705 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001038367410 849868179 /nfs/dbraw/zinc/86/81/79/849868179.db2.gz OMACKTPKTHQGML-GFCCVEGCSA-N 1 2 288.351 0.241 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001038367410 849868185 /nfs/dbraw/zinc/86/81/85/849868185.db2.gz OMACKTPKTHQGML-GFCCVEGCSA-N 1 2 288.351 0.241 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038385256 849871839 /nfs/dbraw/zinc/87/18/39/849871839.db2.gz HREVLKOQFJHUEE-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001038385256 849871846 /nfs/dbraw/zinc/87/18/46/849871846.db2.gz HREVLKOQFJHUEE-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038394632 849879174 /nfs/dbraw/zinc/87/91/74/849879174.db2.gz WKZCIEHXBQYVRQ-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038394632 849879182 /nfs/dbraw/zinc/87/91/82/849879182.db2.gz WKZCIEHXBQYVRQ-CYBMUJFWSA-N 1 2 268.320 0.772 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421882 849890428 /nfs/dbraw/zinc/89/04/28/849890428.db2.gz LLTVBPLBDKTSLV-GFCCVEGCSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421882 849890436 /nfs/dbraw/zinc/89/04/36/849890436.db2.gz LLTVBPLBDKTSLV-GFCCVEGCSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465204 849912282 /nfs/dbraw/zinc/91/22/82/849912282.db2.gz JKADNSWAYAMYCR-SNVBAGLBSA-N 1 2 269.308 0.347 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001038465204 849912294 /nfs/dbraw/zinc/91/22/94/849912294.db2.gz JKADNSWAYAMYCR-SNVBAGLBSA-N 1 2 269.308 0.347 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001038529651 849931699 /nfs/dbraw/zinc/93/16/99/849931699.db2.gz XSBPSBPSQLIMFM-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001038529651 849931705 /nfs/dbraw/zinc/93/17/05/849931705.db2.gz XSBPSBPSQLIMFM-UPJWGTAASA-N 1 2 250.342 0.625 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001038590638 849955838 /nfs/dbraw/zinc/95/58/38/849955838.db2.gz YRHXGDRBSXOLEI-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001038590638 849955845 /nfs/dbraw/zinc/95/58/45/849955845.db2.gz YRHXGDRBSXOLEI-NSHDSACASA-N 1 2 269.308 0.167 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc2cncn21 ZINC001038770421 850011281 /nfs/dbraw/zinc/01/12/81/850011281.db2.gz SLDSTJZHBHYHNH-JTQLQIEISA-N 1 2 274.349 0.833 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc2cncn21 ZINC001038770421 850011287 /nfs/dbraw/zinc/01/12/87/850011287.db2.gz SLDSTJZHBHYHNH-JTQLQIEISA-N 1 2 274.349 0.833 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038811546 850024724 /nfs/dbraw/zinc/02/47/24/850024724.db2.gz OBGWJIACAKMAFU-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001038811546 850024731 /nfs/dbraw/zinc/02/47/31/850024731.db2.gz OBGWJIACAKMAFU-GFCCVEGCSA-N 1 2 258.325 0.531 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001038916782 850085629 /nfs/dbraw/zinc/08/56/29/850085629.db2.gz IODLHKFUPHWDNR-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001038916782 850085641 /nfs/dbraw/zinc/08/56/41/850085641.db2.gz IODLHKFUPHWDNR-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001038916782 850085650 /nfs/dbraw/zinc/08/56/50/850085650.db2.gz IODLHKFUPHWDNR-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001038916782 850085656 /nfs/dbraw/zinc/08/56/56/850085656.db2.gz IODLHKFUPHWDNR-NEPJUHHUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001038923634 850088111 /nfs/dbraw/zinc/08/81/11/850088111.db2.gz ZTLZAEUXVNTTNE-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001038923634 850088114 /nfs/dbraw/zinc/08/81/14/850088114.db2.gz ZTLZAEUXVNTTNE-QWHCGFSZSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001038970443 850106232 /nfs/dbraw/zinc/10/62/32/850106232.db2.gz JEWCFMXADPSNAX-SNVBAGLBSA-N 1 2 297.318 0.168 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001038970443 850106235 /nfs/dbraw/zinc/10/62/35/850106235.db2.gz JEWCFMXADPSNAX-SNVBAGLBSA-N 1 2 297.318 0.168 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989231 850112664 /nfs/dbraw/zinc/11/26/64/850112664.db2.gz PAWRHMDXERCVJU-LLVKDONJSA-N 1 2 286.339 0.423 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001038989231 850112674 /nfs/dbraw/zinc/11/26/74/850112674.db2.gz PAWRHMDXERCVJU-LLVKDONJSA-N 1 2 286.339 0.423 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001042836433 850766740 /nfs/dbraw/zinc/76/67/40/850766740.db2.gz BVFIKKBJWGDIFH-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001042897974 850777711 /nfs/dbraw/zinc/77/77/11/850777711.db2.gz XBPHUAIZHOAUBX-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001043011470 850797121 /nfs/dbraw/zinc/79/71/21/850797121.db2.gz JOISOKFIKYCFMS-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001043074574 850809741 /nfs/dbraw/zinc/80/97/41/850809741.db2.gz SSOLPQUJJMPALU-OAHLLOKOSA-N 1 2 277.368 0.069 20 30 CCEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001043136333 850821406 /nfs/dbraw/zinc/82/14/06/850821406.db2.gz MORFRYOZVQEVSD-GFCCVEGCSA-N 1 2 272.352 0.221 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001043200001 850832379 /nfs/dbraw/zinc/83/23/79/850832379.db2.gz HQGNHVPWKVSESY-UHFFFAOYSA-N 1 2 260.341 0.752 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001043228659 850839329 /nfs/dbraw/zinc/83/93/29/850839329.db2.gz LFRVVNDFVNHIIB-UHFFFAOYSA-N 1 2 283.335 0.689 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001043300157 850851827 /nfs/dbraw/zinc/85/18/27/850851827.db2.gz LJGSZRTYYLOQDK-UHFFFAOYSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001043359092 850859335 /nfs/dbraw/zinc/85/93/35/850859335.db2.gz CULYQWSXHLVIFS-UHFFFAOYSA-N 1 2 295.346 0.804 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001043670368 850921119 /nfs/dbraw/zinc/92/11/19/850921119.db2.gz KMHRJWILTBUJLJ-UHFFFAOYSA-N 1 2 262.313 0.102 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001043905285 850960953 /nfs/dbraw/zinc/96/09/53/850960953.db2.gz NPJDCHPUNRJYQY-UHFFFAOYSA-N 1 2 262.357 0.910 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CN2c3ccccc3CC2=O)C1 ZINC001043974323 850976074 /nfs/dbraw/zinc/97/60/74/850976074.db2.gz CZSARYFMCNREFY-UHFFFAOYSA-N 1 2 299.374 0.904 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001044144241 851022945 /nfs/dbraw/zinc/02/29/45/851022945.db2.gz CLUKFJRXKWAPSH-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)cn1 ZINC001044203757 851041553 /nfs/dbraw/zinc/04/15/53/851041553.db2.gz MLGPBYSOMHVEPK-GFCCVEGCSA-N 1 2 287.363 0.854 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2OCC#C)C1 ZINC001044202340 851042437 /nfs/dbraw/zinc/04/24/37/851042437.db2.gz SCQSHDWHGZMLEE-UHFFFAOYSA-N 1 2 297.358 0.873 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044684992 851143477 /nfs/dbraw/zinc/14/34/77/851143477.db2.gz LPLDEJJPCCDAQH-STQMWFEESA-N 1 2 289.383 0.845 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001044962546 851195605 /nfs/dbraw/zinc/19/56/05/851195605.db2.gz NBGASUQUUYLNEN-KOLCDFICSA-N 1 2 277.328 0.618 20 30 CCEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001046018481 851356136 /nfs/dbraw/zinc/35/61/36/851356136.db2.gz XALZTEQFGZEEJM-OAHLLOKOSA-N 1 2 288.395 0.695 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ncccc2O)C1 ZINC001046262353 851444640 /nfs/dbraw/zinc/44/46/40/851444640.db2.gz PNADXZMHVUQOBM-CQSZACIVSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ncccc2O)C1 ZINC001046262353 851444641 /nfs/dbraw/zinc/44/46/41/851444641.db2.gz PNADXZMHVUQOBM-CQSZACIVSA-N 1 2 259.309 0.615 20 30 CCEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046568356 851553106 /nfs/dbraw/zinc/55/31/06/851553106.db2.gz QLIKTJOKLKBPLB-GDBMZVCRSA-N 1 2 293.411 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046568356 851553116 /nfs/dbraw/zinc/55/31/16/851553116.db2.gz QLIKTJOKLKBPLB-GDBMZVCRSA-N 1 2 293.411 0.309 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccs2)C1 ZINC001047290266 851699174 /nfs/dbraw/zinc/69/91/74/851699174.db2.gz OVTJCFWHSXISFG-RYUDHWBXSA-N 1 2 278.377 0.889 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccs2)C1 ZINC001047290266 851699177 /nfs/dbraw/zinc/69/91/77/851699177.db2.gz OVTJCFWHSXISFG-RYUDHWBXSA-N 1 2 278.377 0.889 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001047432249 851762312 /nfs/dbraw/zinc/76/23/12/851762312.db2.gz GHNMZVXTUJHAAC-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001047432249 851762319 /nfs/dbraw/zinc/76/23/19/851762319.db2.gz GHNMZVXTUJHAAC-STQMWFEESA-N 1 2 276.336 0.592 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001096242391 851864508 /nfs/dbraw/zinc/86/45/08/851864508.db2.gz HNHMFHHJKBNKBO-VWYCJHECSA-N 1 2 259.313 0.197 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096339700 851940863 /nfs/dbraw/zinc/94/08/63/851940863.db2.gz VFRKVSLALAWEIR-VHSXEESVSA-N 1 2 299.338 0.218 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831210 852076201 /nfs/dbraw/zinc/07/62/01/852076201.db2.gz LNCDQXDPDINMTM-KXUCPTDWSA-N 1 2 278.249 0.910 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831210 852076203 /nfs/dbraw/zinc/07/62/03/852076203.db2.gz LNCDQXDPDINMTM-KXUCPTDWSA-N 1 2 278.249 0.910 20 30 CCEDLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810175 852071100 /nfs/dbraw/zinc/07/11/00/852071100.db2.gz GYFVGCYYCJELKT-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810175 852071102 /nfs/dbraw/zinc/07/11/02/852071102.db2.gz GYFVGCYYCJELKT-OKILXGFUSA-N 1 2 299.378 0.119 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831210 852076195 /nfs/dbraw/zinc/07/61/95/852076195.db2.gz LNCDQXDPDINMTM-KXUCPTDWSA-N 1 2 278.249 0.910 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831210 852076198 /nfs/dbraw/zinc/07/61/98/852076198.db2.gz LNCDQXDPDINMTM-KXUCPTDWSA-N 1 2 278.249 0.910 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(CC#N)C[C@H]2C1 ZINC001049066541 852155861 /nfs/dbraw/zinc/15/58/61/852155861.db2.gz ISMUSBIRKKNMAZ-XJFOESAGSA-N 1 2 299.378 0.437 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049516574 852300159 /nfs/dbraw/zinc/30/01/59/852300159.db2.gz DFIOFYZAUATLQC-ZIAGYGMSSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049516574 852300169 /nfs/dbraw/zinc/30/01/69/852300169.db2.gz DFIOFYZAUATLQC-ZIAGYGMSSA-N 1 2 287.367 0.931 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001097370667 852530926 /nfs/dbraw/zinc/53/09/26/852530926.db2.gz GNMWKLPNEGLGIT-SYQHCUMBSA-N 1 2 299.378 0.691 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749987 852651359 /nfs/dbraw/zinc/65/13/59/852651359.db2.gz FIICRTVUXBUWFU-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1OCC)CCO2 ZINC001053173412 852701050 /nfs/dbraw/zinc/70/10/50/852701050.db2.gz UMHPJNMICKKCNF-KBPBESRZSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 ZINC001053183316 852703934 /nfs/dbraw/zinc/70/39/34/852703934.db2.gz UYBZOLSNIKXRIJ-CQSZACIVSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H](C)CO1)CCO2 ZINC001053347639 852731348 /nfs/dbraw/zinc/73/13/48/852731348.db2.gz NUWKVDFGYQVSQE-UONOGXRCSA-N 1 2 294.395 0.901 20 30 CCEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 ZINC001053476166 852747627 /nfs/dbraw/zinc/74/76/27/852747627.db2.gz CHYIJURKLIOFKP-UHFFFAOYSA-N 1 2 291.355 0.298 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]cc1F)O2 ZINC001053656943 852774356 /nfs/dbraw/zinc/77/43/56/852774356.db2.gz COCRGPNENGJOKL-JTQLQIEISA-N 1 2 294.330 0.698 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCOCC1)CO2 ZINC001053717869 852788202 /nfs/dbraw/zinc/78/82/02/852788202.db2.gz WFHVTWPDGOSWLP-CQSZACIVSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCO1)CO2 ZINC001053748507 852801576 /nfs/dbraw/zinc/80/15/76/852801576.db2.gz YJGKABJPSKOYIS-ZIAGYGMSSA-N 1 2 292.379 0.538 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncccn1)CO2 ZINC001053961889 852856877 /nfs/dbraw/zinc/85/68/77/852856877.db2.gz GXSMWBAVBPNZBT-GFCCVEGCSA-N 1 2 288.351 0.626 20 30 CCEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001056687807 853184379 /nfs/dbraw/zinc/18/43/79/853184379.db2.gz RSJKULIISPISLS-GFCCVEGCSA-N 1 2 296.334 0.932 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1=COCCO1 ZINC001050804607 853441172 /nfs/dbraw/zinc/44/11/72/853441172.db2.gz WNXKBMQQQMHZRP-LBPRGKRZSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1=COCCO1 ZINC001050804607 853441175 /nfs/dbraw/zinc/44/11/75/853441175.db2.gz WNXKBMQQQMHZRP-LBPRGKRZSA-N 1 2 282.340 0.268 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1C ZINC001051005914 853506640 /nfs/dbraw/zinc/50/66/40/853506640.db2.gz HCXVHNUIAZPCFO-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnnc1C ZINC001051005914 853506644 /nfs/dbraw/zinc/50/66/44/853506644.db2.gz HCXVHNUIAZPCFO-CYBMUJFWSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051124733 853528297 /nfs/dbraw/zinc/52/82/97/853528297.db2.gz KZDQBWCBKLBALY-MGPQQGTHSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051124733 853528302 /nfs/dbraw/zinc/52/83/02/853528302.db2.gz KZDQBWCBKLBALY-MGPQQGTHSA-N 1 2 282.384 0.947 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001051232361 853550353 /nfs/dbraw/zinc/55/03/53/853550353.db2.gz NXSIYIOYSRQENZ-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001051232361 853550358 /nfs/dbraw/zinc/55/03/58/853550358.db2.gz NXSIYIOYSRQENZ-CYBMUJFWSA-N 1 2 289.335 0.241 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072799932 854464382 /nfs/dbraw/zinc/46/43/82/854464382.db2.gz ZVABZOVRIAESEZ-WCQYABFASA-N 1 2 290.367 0.882 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001098733539 854879733 /nfs/dbraw/zinc/87/97/33/854879733.db2.gz LSGWJXYEPIKMHY-KBPBESRZSA-N 1 2 299.378 0.574 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC(C)=O)[C@H](O)C1 ZINC001099668581 854962492 /nfs/dbraw/zinc/96/24/92/854962492.db2.gz FCYLXXULNQFOEI-UONOGXRCSA-N 1 2 280.368 0.320 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)CCCC(C)=O)[C@H](O)C1 ZINC001099668581 854962494 /nfs/dbraw/zinc/96/24/94/854962494.db2.gz FCYLXXULNQFOEI-UONOGXRCSA-N 1 2 280.368 0.320 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001100251029 855129962 /nfs/dbraw/zinc/12/99/62/855129962.db2.gz YNOINKIYRBVWSE-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1nccnc1C#N ZINC001100251065 855130029 /nfs/dbraw/zinc/13/00/29/855130029.db2.gz ZKQNKTGMSAPKKF-UHFFFAOYSA-N 1 2 299.338 0.187 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927094 855392387 /nfs/dbraw/zinc/39/23/87/855392387.db2.gz YFNVYHNFOQEDFY-VXGBXAGGSA-N 1 2 275.356 0.550 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1nccnc1C#N ZINC001104002505 855559795 /nfs/dbraw/zinc/55/97/95/855559795.db2.gz UBYPWUMRUVITEB-LLVKDONJSA-N 1 2 299.338 0.409 20 30 CCEDLO C=CCn1cnn(C[N@H+]2CC[C@H](CC(N)=O)C2)c1=S ZINC001117488929 855998578 /nfs/dbraw/zinc/99/85/78/855998578.db2.gz HDWNOVMOGNBPGS-SNVBAGLBSA-N 1 2 281.385 0.755 20 30 CCEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1=S ZINC001117488929 855998586 /nfs/dbraw/zinc/99/85/86/855998586.db2.gz HDWNOVMOGNBPGS-SNVBAGLBSA-N 1 2 281.385 0.755 20 30 CCEDLO N#CC[C@@]1(O)CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001118120828 856169553 /nfs/dbraw/zinc/16/95/53/856169553.db2.gz IMSRIVPIZSLQJH-CYBMUJFWSA-N 1 2 277.328 0.333 20 30 CCEDLO C#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC001118401297 856290390 /nfs/dbraw/zinc/29/03/90/856290390.db2.gz SQWSXZPARWMBDD-QWHCGFSZSA-N 1 2 288.351 0.260 20 30 CCEDLO Cn1c[nH+]cc1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001119061834 856547735 /nfs/dbraw/zinc/54/77/35/856547735.db2.gz UODNACOZXCHBDS-CYBMUJFWSA-N 1 2 269.308 0.608 20 30 CCEDLO C[C@@H](C(=O)N1CCN(CCC#N)CC1)n1cc[nH+]c1 ZINC001119108864 856563290 /nfs/dbraw/zinc/56/32/90/856563290.db2.gz OHHHLUOTVBOZLM-LBPRGKRZSA-N 1 2 261.329 0.502 20 30 CCEDLO N#CCNC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323479914 912367104 /nfs/dbraw/zinc/36/71/04/912367104.db2.gz ODFVNRJOLCNGDX-NSHDSACASA-N 1 2 273.340 0.207 20 30 CCEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001323920291 912584123 /nfs/dbraw/zinc/58/41/23/912584123.db2.gz BJJVVLMGWDCCQE-UHFFFAOYSA-N 1 2 264.329 0.369 20 30 CCEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCOCC)C2)c1 ZINC001323977802 912608395 /nfs/dbraw/zinc/60/83/95/912608395.db2.gz CMVIAJZATBTIMM-UHFFFAOYSA-N 1 2 287.363 0.856 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)NCCc2n[nH]c(=S)o2)CC1 ZINC001324257468 912742929 /nfs/dbraw/zinc/74/29/29/912742929.db2.gz YYGQIFCUXCOEPM-UHFFFAOYSA-N 1 2 294.380 0.362 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001325307963 913336946 /nfs/dbraw/zinc/33/69/46/913336946.db2.gz JLPIUIJPDAUCJV-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001496501637 891432975 /nfs/dbraw/zinc/43/29/75/891432975.db2.gz XEAAWTZGYQGJLP-SNVBAGLBSA-N 1 2 277.328 0.077 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001481058852 892120122 /nfs/dbraw/zinc/12/01/22/892120122.db2.gz IPCMCOAQIDDTJQ-VXGBXAGGSA-N 1 2 290.367 0.007 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001481058852 892120132 /nfs/dbraw/zinc/12/01/32/892120132.db2.gz IPCMCOAQIDDTJQ-VXGBXAGGSA-N 1 2 290.367 0.007 20 30 CCEDLO C[C@@H](O)CCC[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001481554598 892820838 /nfs/dbraw/zinc/82/08/38/892820838.db2.gz UWKSSPZELUHSHF-SNVBAGLBSA-N 1 2 276.340 0.461 20 30 CCEDLO C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C#CC3CC3)C2)O1 ZINC001481558203 892834951 /nfs/dbraw/zinc/83/49/51/892834951.db2.gz NMMLFXWVIIBODQ-FZMZJTMJSA-N 1 2 262.353 0.768 20 30 CCEDLO C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C#CC3CC3)C2)O1 ZINC001481558205 892835241 /nfs/dbraw/zinc/83/52/41/892835241.db2.gz NMMLFXWVIIBODQ-SMDDNHRTSA-N 1 2 262.353 0.768 20 30 CCEDLO Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001481617321 892908954 /nfs/dbraw/zinc/90/89/54/892908954.db2.gz DRUMBASWGPHRPB-VIFPVBQESA-N 1 2 262.313 0.691 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O ZINC001481668067 892983831 /nfs/dbraw/zinc/98/38/31/892983831.db2.gz CIVCLRFTWSOAQT-IHRRRGAJSA-N 1 2 291.395 0.729 20 30 CCEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O ZINC001481668067 892983843 /nfs/dbraw/zinc/98/38/43/892983843.db2.gz CIVCLRFTWSOAQT-IHRRRGAJSA-N 1 2 291.395 0.729 20 30 CCEDLO CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(CC#N)C1 ZINC001481780942 893148908 /nfs/dbraw/zinc/14/89/08/893148908.db2.gz QMAPMHFTBBMWEF-LBPRGKRZSA-N 1 2 261.329 0.329 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001493498565 893436751 /nfs/dbraw/zinc/43/67/51/893436751.db2.gz CACKNXGAXZBPEA-ZJUUUORDSA-N 1 2 295.343 0.485 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001396764945 913954136 /nfs/dbraw/zinc/95/41/36/913954136.db2.gz PJZJOQNUFNJUSZ-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001483334812 895470112 /nfs/dbraw/zinc/47/01/12/895470112.db2.gz ZIKHGSVRIOKMAR-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001483334812 895470121 /nfs/dbraw/zinc/47/01/21/895470121.db2.gz ZIKHGSVRIOKMAR-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001483641731 895782820 /nfs/dbraw/zinc/78/28/20/895782820.db2.gz PSLFVBUIHYKAHF-LLVKDONJSA-N 1 2 263.345 0.504 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 ZINC001483641731 895782839 /nfs/dbraw/zinc/78/28/39/895782839.db2.gz PSLFVBUIHYKAHF-LLVKDONJSA-N 1 2 263.345 0.504 20 30 CCEDLO C#CCOCCC(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001483863301 896087288 /nfs/dbraw/zinc/08/72/88/896087288.db2.gz SZHGQQZNSNJJAQ-UHFFFAOYSA-N 1 2 250.342 0.745 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001483871957 896093652 /nfs/dbraw/zinc/09/36/52/896093652.db2.gz NTLHOMDRPHMCEF-OLZOCXBDSA-N 1 2 295.383 0.128 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)COC[C@@H]2CCCO2)C1 ZINC001483894078 896110137 /nfs/dbraw/zinc/11/01/37/896110137.db2.gz JOSMHVLKWSXAKT-AWEZNQCLSA-N 1 2 280.368 0.348 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001484290770 896320151 /nfs/dbraw/zinc/32/01/51/896320151.db2.gz WWORTMGQPXJSTN-LBPRGKRZSA-N 1 2 270.373 0.134 20 30 CCEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCc1ccon1 ZINC001484597433 896486545 /nfs/dbraw/zinc/48/65/45/896486545.db2.gz OSKHIIYQMYLRMT-CQSZACIVSA-N 1 2 291.351 0.448 20 30 CCEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCc1ccon1 ZINC001484597433 896486547 /nfs/dbraw/zinc/48/65/47/896486547.db2.gz OSKHIIYQMYLRMT-CQSZACIVSA-N 1 2 291.351 0.448 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001397159419 914072176 /nfs/dbraw/zinc/07/21/76/914072176.db2.gz PFOIPEGJPCMBPT-NEPJUHHUSA-N 1 2 289.339 0.150 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)COCC)C2)CC1 ZINC001484703741 896548880 /nfs/dbraw/zinc/54/88/80/896548880.db2.gz JJIYJFNJJXSXCW-OAHLLOKOSA-N 1 2 293.411 0.265 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001484786680 896603723 /nfs/dbraw/zinc/60/37/23/896603723.db2.gz OOEODAPJCNRMIM-UONOGXRCSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](C[C@H](C)OC)C2)C1 ZINC001485417166 897044260 /nfs/dbraw/zinc/04/42/60/897044260.db2.gz ZOIKSQUJODEBKQ-ZDUSSCGKSA-N 1 2 296.411 0.931 20 30 CCEDLO CCCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001485497221 897083919 /nfs/dbraw/zinc/08/39/19/897083919.db2.gz NFHJXOYXMUIGMK-WDEREUQCSA-N 1 2 280.372 0.109 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC001485497506 897088204 /nfs/dbraw/zinc/08/82/04/897088204.db2.gz OYJBBDBNAISUGS-JTQLQIEISA-N 1 2 292.339 0.027 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485507292 897095115 /nfs/dbraw/zinc/09/51/15/897095115.db2.gz UUSOFPMZBBQMEM-LBPRGKRZSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCCOC1 ZINC001492859144 914128149 /nfs/dbraw/zinc/12/81/49/914128149.db2.gz BMGDZEHIZSFNHI-CYBMUJFWSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCCOC1 ZINC001492859144 914128161 /nfs/dbraw/zinc/12/81/61/914128161.db2.gz BMGDZEHIZSFNHI-CYBMUJFWSA-N 1 2 297.399 0.153 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CSC)C2)C1 ZINC001485553800 897116890 /nfs/dbraw/zinc/11/68/90/897116890.db2.gz LXCWQYDQZNMYDE-UKRRQHHQSA-N 1 2 296.436 0.922 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CSC)C2)C1 ZINC001485553800 897116900 /nfs/dbraw/zinc/11/69/00/897116900.db2.gz LXCWQYDQZNMYDE-UKRRQHHQSA-N 1 2 296.436 0.922 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nccnc2N)C1 ZINC001107827178 897323563 /nfs/dbraw/zinc/32/35/63/897323563.db2.gz KAZPGXUFTMAUAK-CQSZACIVSA-N 1 2 291.355 0.066 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nccnc2N)C1 ZINC001107827178 897323577 /nfs/dbraw/zinc/32/35/77/897323577.db2.gz KAZPGXUFTMAUAK-CQSZACIVSA-N 1 2 291.355 0.066 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001077725718 897347093 /nfs/dbraw/zinc/34/70/93/897347093.db2.gz HFYNXMNEZKKJOG-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001077725718 897347110 /nfs/dbraw/zinc/34/71/10/897347110.db2.gz HFYNXMNEZKKJOG-VXGBXAGGSA-N 1 2 279.727 0.143 20 30 CCEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C1CC1)CC2 ZINC001127909539 897453557 /nfs/dbraw/zinc/45/35/57/897453557.db2.gz ACCIEJLJVPPTAH-GFCCVEGCSA-N 1 2 287.367 0.232 20 30 CCEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(C)=O)CC2 ZINC001127910192 897457398 /nfs/dbraw/zinc/45/73/98/897457398.db2.gz LCFOMSQOBBWJSR-LBPRGKRZSA-N 1 2 275.356 0.232 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407526 897473496 /nfs/dbraw/zinc/47/34/96/897473496.db2.gz HDVZVONSMTUCSV-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ncn1 ZINC001032407526 897473505 /nfs/dbraw/zinc/47/35/05/897473505.db2.gz HDVZVONSMTUCSV-QWRGUYRKSA-N 1 2 274.324 0.570 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnnn2CC)C1 ZINC001107922401 897499626 /nfs/dbraw/zinc/49/96/26/897499626.db2.gz RTVLHPHJIDVWQS-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnnn2CC)C1 ZINC001107922401 897499634 /nfs/dbraw/zinc/49/96/34/897499634.db2.gz RTVLHPHJIDVWQS-AWEZNQCLSA-N 1 2 293.371 0.305 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCC2 ZINC001032436759 897564223 /nfs/dbraw/zinc/56/42/23/897564223.db2.gz QDBILJDOOMMXSD-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCC2 ZINC001032436759 897564240 /nfs/dbraw/zinc/56/42/40/897564240.db2.gz QDBILJDOOMMXSD-STQMWFEESA-N 1 2 284.363 0.751 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)c[nH+]1 ZINC001032472956 897617426 /nfs/dbraw/zinc/61/74/26/897617426.db2.gz UORSZJOLBYBKFY-STQMWFEESA-N 1 2 287.367 0.735 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001032535814 897713527 /nfs/dbraw/zinc/71/35/27/897713527.db2.gz YCVRMTWLMZSFPN-RDBSUJKOSA-N 1 2 299.378 0.067 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001032535814 897713538 /nfs/dbraw/zinc/71/35/38/897713538.db2.gz YCVRMTWLMZSFPN-RDBSUJKOSA-N 1 2 299.378 0.067 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001077815889 897757691 /nfs/dbraw/zinc/75/76/91/897757691.db2.gz DZQWTSUISQQKKR-KONPQCLYSA-N 1 2 298.386 0.975 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001077815889 897757703 /nfs/dbraw/zinc/75/77/03/897757703.db2.gz DZQWTSUISQQKKR-KONPQCLYSA-N 1 2 298.386 0.975 20 30 CCEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001032621041 897836376 /nfs/dbraw/zinc/83/63/76/897836376.db2.gz QNEIYRKJYFGBNM-SRVKXCTJSA-N 1 2 285.351 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCC2CCCC2)[C@H](OC)C1 ZINC001212418828 897917736 /nfs/dbraw/zinc/91/77/36/897917736.db2.gz NNXFJLINLJNRQG-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCC2CCCC2)[C@H](OC)C1 ZINC001212418828 897917743 /nfs/dbraw/zinc/91/77/43/897917743.db2.gz NNXFJLINLJNRQG-HUUCEWRRSA-N 1 2 294.395 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001032679947 897922622 /nfs/dbraw/zinc/92/26/22/897922622.db2.gz RXWUVFMIXHUAKQ-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001032679947 897922633 /nfs/dbraw/zinc/92/26/33/897922633.db2.gz RXWUVFMIXHUAKQ-STQMWFEESA-N 1 2 280.331 0.866 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001107994579 898009883 /nfs/dbraw/zinc/00/98/83/898009883.db2.gz QKTZHNNAHQJMQD-OAHLLOKOSA-N 1 2 293.367 0.919 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001107994579 898009892 /nfs/dbraw/zinc/00/98/92/898009892.db2.gz QKTZHNNAHQJMQD-OAHLLOKOSA-N 1 2 293.367 0.919 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccn1 ZINC001032737052 898041784 /nfs/dbraw/zinc/04/17/84/898041784.db2.gz QYKPWPZLLPDAJY-IHRRRGAJSA-N 1 2 285.347 0.767 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccn1 ZINC001032737052 898041794 /nfs/dbraw/zinc/04/17/94/898041794.db2.gz QYKPWPZLLPDAJY-IHRRRGAJSA-N 1 2 285.347 0.767 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001077931696 898064892 /nfs/dbraw/zinc/06/48/92/898064892.db2.gz FBXVEROIJJHPHS-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001077931696 898064904 /nfs/dbraw/zinc/06/49/04/898064904.db2.gz FBXVEROIJJHPHS-CHWSQXEVSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2c1 ZINC001032776811 898164903 /nfs/dbraw/zinc/16/49/03/898164903.db2.gz AWZNOGLOJAIFRC-STQMWFEESA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]nc2c1 ZINC001032776811 898164909 /nfs/dbraw/zinc/16/49/09/898164909.db2.gz AWZNOGLOJAIFRC-STQMWFEESA-N 1 2 295.346 0.880 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(C)csc1=O ZINC001032778192 898168345 /nfs/dbraw/zinc/16/83/45/898168345.db2.gz JOUMSKXXYCRSDC-RYUDHWBXSA-N 1 2 291.376 0.137 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(C)csc1=O ZINC001032778192 898168357 /nfs/dbraw/zinc/16/83/57/898168357.db2.gz JOUMSKXXYCRSDC-RYUDHWBXSA-N 1 2 291.376 0.137 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001078136202 898262069 /nfs/dbraw/zinc/26/20/69/898262069.db2.gz HDYYYXVIMDMDHD-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001078249607 898315511 /nfs/dbraw/zinc/31/55/11/898315511.db2.gz CNEARMJAUNVPMW-ZIAGYGMSSA-N 1 2 276.311 0.564 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001078249607 898315524 /nfs/dbraw/zinc/31/55/24/898315524.db2.gz CNEARMJAUNVPMW-ZIAGYGMSSA-N 1 2 276.311 0.564 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001078278976 898319915 /nfs/dbraw/zinc/31/99/15/898319915.db2.gz NLGREQUCBYNBAD-HZPDHXFCSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001078278976 898319930 /nfs/dbraw/zinc/31/99/30/898319930.db2.gz NLGREQUCBYNBAD-HZPDHXFCSA-N 1 2 298.386 0.821 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001494840168 899842578 /nfs/dbraw/zinc/84/25/78/899842578.db2.gz SIGGMCZQSCCKQN-SWLSCSKDSA-N 1 2 297.399 0.233 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494840168 899842581 /nfs/dbraw/zinc/84/25/81/899842581.db2.gz SIGGMCZQSCCKQN-SWLSCSKDSA-N 1 2 297.399 0.233 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001489287666 900459853 /nfs/dbraw/zinc/45/98/53/900459853.db2.gz UWXYCLKUSNMUSS-DYEKYZERSA-N 1 2 297.374 0.309 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001489287666 900459856 /nfs/dbraw/zinc/45/98/56/900459856.db2.gz UWXYCLKUSNMUSS-DYEKYZERSA-N 1 2 297.374 0.309 20 30 CCEDLO C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001327297239 914468876 /nfs/dbraw/zinc/46/88/76/914468876.db2.gz KBTHAHMALUQSLW-AWEZNQCLSA-N 1 2 289.339 0.152 20 30 CCEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001327371932 914504452 /nfs/dbraw/zinc/50/44/52/914504452.db2.gz IMABNJQUWWFNIJ-CYBMUJFWSA-N 1 2 290.367 0.419 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cnn(CC#N)c1 ZINC001412477870 901752370 /nfs/dbraw/zinc/75/23/70/901752370.db2.gz GEMXNAFDASTTAK-GHMZBOCLSA-N 1 2 270.296 0.882 20 30 CCEDLO Cc1nnc(C[N@@H+](C)CCC(=O)N(C)CCC#N)o1 ZINC001327550603 914612443 /nfs/dbraw/zinc/61/24/43/914612443.db2.gz GPGBUTVNVZXKGV-UHFFFAOYSA-N 1 2 265.317 0.572 20 30 CCEDLO Cc1nnc(C[N@H+](C)CCC(=O)N(C)CCC#N)o1 ZINC001327550603 914612454 /nfs/dbraw/zinc/61/24/54/914612454.db2.gz GPGBUTVNVZXKGV-UHFFFAOYSA-N 1 2 265.317 0.572 20 30 CCEDLO COc1ncc(NC(=O)Cc2c[nH+]cn2C)cc1C#N ZINC001413538107 903022527 /nfs/dbraw/zinc/02/25/27/903022527.db2.gz MFFZEQBUCCPNLZ-UHFFFAOYSA-N 1 2 271.280 0.877 20 30 CCEDLO CCOC(=O)c1cc(C[NH2+][C@H]2CCCN(O)C2=O)on1 ZINC001462406598 903105983 /nfs/dbraw/zinc/10/59/83/903105983.db2.gz SEUMKAXHVDXVHG-VIFPVBQESA-N 1 2 283.284 0.321 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nn(C)cc1Cl ZINC001491415824 903565396 /nfs/dbraw/zinc/56/53/96/903565396.db2.gz UFNKEKKLKJAAGK-DTWKUNHWSA-N 1 2 283.763 0.827 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001280949227 904180922 /nfs/dbraw/zinc/18/09/22/904180922.db2.gz YZGREKVJEKQEBJ-AWEZNQCLSA-N 1 2 272.348 0.383 20 30 CCEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)nn1 ZINC001327828653 914791040 /nfs/dbraw/zinc/79/10/40/914791040.db2.gz BQWXFHNUXPEQRS-DGCLKSJQSA-N 1 2 266.345 0.029 20 30 CCEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)nn1 ZINC001327828653 914791045 /nfs/dbraw/zinc/79/10/45/914791045.db2.gz BQWXFHNUXPEQRS-DGCLKSJQSA-N 1 2 266.345 0.029 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001282128280 904417006 /nfs/dbraw/zinc/41/70/06/904417006.db2.gz IPKQIWGKAXSMNN-MNOVXSKESA-N 1 2 294.355 0.401 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C2C=CC=CC=C2)C1 ZINC001282517933 904498489 /nfs/dbraw/zinc/49/84/89/904498489.db2.gz DPTDHEWHTSIZFM-UHFFFAOYSA-N 1 2 286.375 0.861 20 30 CCEDLO C#CCCCC(=O)NC1(CCO)C[NH+]([C@@H](C)COC)C1 ZINC001282510904 904499313 /nfs/dbraw/zinc/49/93/13/904499313.db2.gz IUXMJHIYEJKRLF-ZDUSSCGKSA-N 1 2 282.384 0.378 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001282530369 904500830 /nfs/dbraw/zinc/50/08/30/904500830.db2.gz RECQIJKPQLUOAM-UONOGXRCSA-N 1 2 294.395 0.378 20 30 CCEDLO C#CC[N@@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)C(C)(C)C1 ZINC001282797203 904541998 /nfs/dbraw/zinc/54/19/98/904541998.db2.gz MOQIEKHWVWPSMZ-NSHDSACASA-N 1 2 275.356 0.197 20 30 CCEDLO C#CC[N@H+]1C[C@H](NC(=O)CCc2nc[nH]n2)C(C)(C)C1 ZINC001282797203 904542002 /nfs/dbraw/zinc/54/20/02/904542002.db2.gz MOQIEKHWVWPSMZ-NSHDSACASA-N 1 2 275.356 0.197 20 30 CCEDLO C[C@H](CCCNCC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283247790 904777632 /nfs/dbraw/zinc/77/76/32/904777632.db2.gz IAQAJSCWAWFDGT-VXGBXAGGSA-N 1 2 277.372 0.986 20 30 CCEDLO C[C@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ncccn1 ZINC001283360377 904825280 /nfs/dbraw/zinc/82/52/80/904825280.db2.gz UUYOMWONCXKAPL-GFCCVEGCSA-N 1 2 291.355 0.201 20 30 CCEDLO C[C@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ncccn1 ZINC001283360377 904825295 /nfs/dbraw/zinc/82/52/95/904825295.db2.gz UUYOMWONCXKAPL-GFCCVEGCSA-N 1 2 291.355 0.201 20 30 CCEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC001327912161 914855134 /nfs/dbraw/zinc/85/51/34/914855134.db2.gz BPJXAHAKEFWKNF-LLVKDONJSA-N 1 2 288.413 0.576 20 30 CCEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC001327912161 914855159 /nfs/dbraw/zinc/85/51/59/914855159.db2.gz BPJXAHAKEFWKNF-LLVKDONJSA-N 1 2 288.413 0.576 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1ncccn1 ZINC001283745548 904991340 /nfs/dbraw/zinc/99/13/40/904991340.db2.gz QZDHIDVFCNONST-QWHCGFSZSA-N 1 2 290.367 0.408 20 30 CCEDLO C#CCCCC(=O)NC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001284227535 905207503 /nfs/dbraw/zinc/20/75/03/905207503.db2.gz MMTAGKYKCOCLMA-CYBMUJFWSA-N 1 2 290.367 0.698 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001287701086 905948271 /nfs/dbraw/zinc/94/82/71/905948271.db2.gz WVZXLCJWHKOTPF-NSHDSACASA-N 1 2 294.355 0.118 20 30 CCEDLO C#CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001333980433 906135111 /nfs/dbraw/zinc/13/51/11/906135111.db2.gz RYAHFVHRYKOWKL-UHFFFAOYSA-N 1 2 261.325 0.674 20 30 CCEDLO CC(C)(C)C#CC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293303874 906458866 /nfs/dbraw/zinc/45/88/66/906458866.db2.gz NMGDLHGEMBOPEO-UHFFFAOYSA-N 1 2 290.367 0.555 20 30 CCEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001297146744 907030093 /nfs/dbraw/zinc/03/00/93/907030093.db2.gz BRPDPPVZGOTWCA-MNOVXSKESA-N 1 2 290.367 0.737 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C#CC1CC1 ZINC001304090124 908143769 /nfs/dbraw/zinc/14/37/69/908143769.db2.gz YFFXROAIHOJNBR-LLVKDONJSA-N 1 2 261.281 0.023 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C#CC1CC1 ZINC001304090124 908143772 /nfs/dbraw/zinc/14/37/72/908143772.db2.gz YFFXROAIHOJNBR-LLVKDONJSA-N 1 2 261.281 0.023 20 30 CCEDLO N#C[C@H]1CCC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC001308063297 908375510 /nfs/dbraw/zinc/37/55/10/908375510.db2.gz DPWCRQTXQMMXOS-SECBINFHSA-N 1 2 254.290 0.417 20 30 CCEDLO N#C[C@H]1CCC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC001308063297 908375520 /nfs/dbraw/zinc/37/55/20/908375520.db2.gz DPWCRQTXQMMXOS-SECBINFHSA-N 1 2 254.290 0.417 20 30 CCEDLO C=C[C@H](O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001328587379 908693514 /nfs/dbraw/zinc/69/35/14/908693514.db2.gz YLBRKUAJVJGTFV-RYUDHWBXSA-N 1 2 263.341 0.748 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)C2CC3(CCC3)C2)CC1 ZINC001316967039 908872456 /nfs/dbraw/zinc/87/24/56/908872456.db2.gz OSBUFKQYPFTZPR-UHFFFAOYSA-N 1 2 290.411 0.824 20 30 CCEDLO CO[C@H](CC(C)C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316966997 908875092 /nfs/dbraw/zinc/87/50/92/908875092.db2.gz MUYHOMOFNXYPOF-CQSZACIVSA-N 1 2 296.415 0.305 20 30 CCEDLO CC[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)O1 ZINC001316965238 908876132 /nfs/dbraw/zinc/87/61/32/908876132.db2.gz VNLHVPQJSOXNPR-KBPBESRZSA-N 1 2 294.399 0.201 20 30 CCEDLO COCCC(C)(C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316972948 908886208 /nfs/dbraw/zinc/88/62/08/908886208.db2.gz WMBNGHKKMHISAX-UHFFFAOYSA-N 1 2 296.415 0.306 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001316975050 908895537 /nfs/dbraw/zinc/89/55/37/908895537.db2.gz XGRWXURECAPTKY-CYBMUJFWSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001316975050 908895553 /nfs/dbraw/zinc/89/55/53/908895553.db2.gz XGRWXURECAPTKY-CYBMUJFWSA-N 1 2 281.400 0.915 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001386894142 908962736 /nfs/dbraw/zinc/96/27/36/908962736.db2.gz GYBPJPSVGUXRKR-RYUDHWBXSA-N 1 2 291.355 0.568 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387290514 909096766 /nfs/dbraw/zinc/09/67/66/909096766.db2.gz KYQOFSHOVGZLLM-QWRGUYRKSA-N 1 2 289.339 0.077 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C(C)C ZINC001317445052 909213519 /nfs/dbraw/zinc/21/35/19/909213519.db2.gz QDUKKQYCWATSDE-HNNXBMFYSA-N 1 2 299.415 0.228 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N(C)C(C)C ZINC001317445052 909213532 /nfs/dbraw/zinc/21/35/32/909213532.db2.gz QDUKKQYCWATSDE-HNNXBMFYSA-N 1 2 299.415 0.228 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001317457288 909230401 /nfs/dbraw/zinc/23/04/01/909230401.db2.gz QECWSBIRVWTQOD-NSHDSACASA-N 1 2 295.387 0.259 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001317457288 909230412 /nfs/dbraw/zinc/23/04/12/909230412.db2.gz QECWSBIRVWTQOD-NSHDSACASA-N 1 2 295.387 0.259 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC001318067922 909608562 /nfs/dbraw/zinc/60/85/62/909608562.db2.gz XIFGHAITCJDMIS-UHFFFAOYSA-N 1 2 292.383 0.910 20 30 CCEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001318232427 909668360 /nfs/dbraw/zinc/66/83/60/909668360.db2.gz IHSJONFUVHXDPZ-INIZCTEOSA-N 1 2 299.374 0.365 20 30 CCEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001318232427 909668364 /nfs/dbraw/zinc/66/83/64/909668364.db2.gz IHSJONFUVHXDPZ-INIZCTEOSA-N 1 2 299.374 0.365 20 30 CCEDLO CC(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318255846 909683306 /nfs/dbraw/zinc/68/33/06/909683306.db2.gz ZGPIWNBGAQVFSR-LBPRGKRZSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318255846 909683312 /nfs/dbraw/zinc/68/33/12/909683312.db2.gz ZGPIWNBGAQVFSR-LBPRGKRZSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001318333725 909712646 /nfs/dbraw/zinc/71/26/46/909712646.db2.gz HMYYHIJERGLIQE-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001318333725 909712654 /nfs/dbraw/zinc/71/26/54/909712654.db2.gz HMYYHIJERGLIQE-CYBMUJFWSA-N 1 2 293.411 0.609 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nnn(C)n1 ZINC001318557391 909813740 /nfs/dbraw/zinc/81/37/40/909813740.db2.gz VWJQKVFCWKLTME-NSHDSACASA-N 1 2 294.403 0.797 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001319312067 910089934 /nfs/dbraw/zinc/08/99/34/910089934.db2.gz YSMNAEXJFFZCRQ-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001319312067 910089949 /nfs/dbraw/zinc/08/99/49/910089949.db2.gz YSMNAEXJFFZCRQ-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001319322256 910095274 /nfs/dbraw/zinc/09/52/74/910095274.db2.gz JFEGUKFDPREHFZ-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001319322256 910095291 /nfs/dbraw/zinc/09/52/91/910095291.db2.gz JFEGUKFDPREHFZ-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO CC(C)C(C#N)=CNNc1ccc(S(N)(=O)=O)c[nH+]1 ZINC001319380304 910127425 /nfs/dbraw/zinc/12/74/25/910127425.db2.gz GJJJRPRZFDFKEV-SECBINFHSA-N 1 2 281.341 0.922 20 30 CCEDLO C=CCOCC(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1 ZINC001319431690 910141601 /nfs/dbraw/zinc/14/16/01/910141601.db2.gz VRCKPQNMGDUXAD-JTQLQIEISA-N 1 2 284.385 0.677 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389923445 910147313 /nfs/dbraw/zinc/14/73/13/910147313.db2.gz MUGJDBVGZFFNPD-JTQLQIEISA-N 1 2 289.339 0.077 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001389923445 910147324 /nfs/dbraw/zinc/14/73/24/910147324.db2.gz MUGJDBVGZFFNPD-JTQLQIEISA-N 1 2 289.339 0.077 20 30 CCEDLO CCc1cc(C(=O)N(C)CC[N@H+](C)CC#CCOC)n[nH]1 ZINC001319979633 910390061 /nfs/dbraw/zinc/39/00/61/910390061.db2.gz XEWKNQXWTNMOSF-UHFFFAOYSA-N 1 2 292.383 0.626 20 30 CCEDLO CCc1cc(C(=O)N(C)CC[N@@H+](C)CC#CCOC)n[nH]1 ZINC001319979633 910390081 /nfs/dbraw/zinc/39/00/81/910390081.db2.gz XEWKNQXWTNMOSF-UHFFFAOYSA-N 1 2 292.383 0.626 20 30 CCEDLO C=CCO[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001320054753 910437450 /nfs/dbraw/zinc/43/74/50/910437450.db2.gz VEIRDJMFIDHCAH-KBPBESRZSA-N 1 2 297.399 0.694 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC001320158861 910485394 /nfs/dbraw/zinc/48/53/94/910485394.db2.gz BEWIYPLGFIXISF-SNVBAGLBSA-N 1 2 280.328 0.135 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(CC(=O)NC)no2)C1 ZINC001320158861 910485405 /nfs/dbraw/zinc/48/54/05/910485405.db2.gz BEWIYPLGFIXISF-SNVBAGLBSA-N 1 2 280.328 0.135 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1CNCC#N ZINC001320170419 910491055 /nfs/dbraw/zinc/49/10/55/910491055.db2.gz IDGJPXGVHPFCIG-YPMHNXCESA-N 1 2 275.356 0.361 20 30 CCEDLO N#CCNC[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320258297 910559657 /nfs/dbraw/zinc/55/96/57/910559657.db2.gz LKSUQILJCMPDHC-AWEZNQCLSA-N 1 2 299.334 0.076 20 30 CCEDLO CCc1noc(C[NH2+]CCN(CC)C(=O)[C@@H](C)C#N)n1 ZINC001320694728 910806999 /nfs/dbraw/zinc/80/69/99/910806999.db2.gz WFXVSAOZGHKPOG-JTQLQIEISA-N 1 2 279.344 0.730 20 30 CCEDLO C#CC[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001320743503 910835106 /nfs/dbraw/zinc/83/51/06/910835106.db2.gz JXWNBRCVLWUVQV-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[NH2+]CCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001320743503 910835114 /nfs/dbraw/zinc/83/51/14/910835114.db2.gz JXWNBRCVLWUVQV-MRVPVSSYSA-N 1 2 254.227 0.958 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCO)CSC ZINC001339072025 921643930 /nfs/dbraw/zinc/64/39/30/921643930.db2.gz ZEHGMFQGAGDALA-NEPJUHHUSA-N 1 2 270.398 0.314 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCO)CSC ZINC001339072025 921643935 /nfs/dbraw/zinc/64/39/35/921643935.db2.gz ZEHGMFQGAGDALA-NEPJUHHUSA-N 1 2 270.398 0.314 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC001391663908 911306414 /nfs/dbraw/zinc/30/64/14/911306414.db2.gz BNGZAQKETGOECU-NXEZZACHSA-N 1 2 294.359 0.280 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)CCCNCC#N)c[nH+]1 ZINC001322567064 911862590 /nfs/dbraw/zinc/86/25/90/911862590.db2.gz VRUQKQNGBIXQFJ-UHFFFAOYSA-N 1 2 277.372 0.888 20 30 CCEDLO CC#CC(=O)N[C@@H]1CCOC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001339358532 921712180 /nfs/dbraw/zinc/71/21/80/921712180.db2.gz AADGHUQSZCGGBY-NEPJUHHUSA-N 1 2 274.324 0.494 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001392688665 912088408 /nfs/dbraw/zinc/08/84/08/912088408.db2.gz YQWSTEYGPVUHMH-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001392688665 912088419 /nfs/dbraw/zinc/08/84/19/912088419.db2.gz YQWSTEYGPVUHMH-MNOVXSKESA-N 1 2 287.791 0.702 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001323198871 912177533 /nfs/dbraw/zinc/17/75/33/912177533.db2.gz LNEDMHRVNSZFAO-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001323198871 912177536 /nfs/dbraw/zinc/17/75/36/912177536.db2.gz LNEDMHRVNSZFAO-GFCCVEGCSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001323215761 912186737 /nfs/dbraw/zinc/18/67/37/912186737.db2.gz ZUUHSGKBJDYYTD-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001323215761 912186752 /nfs/dbraw/zinc/18/67/52/912186752.db2.gz ZUUHSGKBJDYYTD-STQMWFEESA-N 1 2 277.368 0.259 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001323232916 912207135 /nfs/dbraw/zinc/20/71/35/912207135.db2.gz SNFLPHYIFDAWJK-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001323232916 912207141 /nfs/dbraw/zinc/20/71/41/912207141.db2.gz SNFLPHYIFDAWJK-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO N#Cc1cnccc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001328160901 915006721 /nfs/dbraw/zinc/00/67/21/915006721.db2.gz NBGMHMIEWQXJPK-UHFFFAOYSA-N 1 2 285.307 0.127 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CNC(=O)C1CC1 ZINC001399707115 915338444 /nfs/dbraw/zinc/33/84/44/915338444.db2.gz WXLUPCYLHPZCSE-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CNC(=O)C1CC1 ZINC001399707115 915338461 /nfs/dbraw/zinc/33/84/61/915338461.db2.gz WXLUPCYLHPZCSE-UHFFFAOYSA-N 1 2 287.791 0.703 20 30 CCEDLO C#CCC1(O)CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC001330734454 916824829 /nfs/dbraw/zinc/82/48/29/916824829.db2.gz ZLLBMEDWRBLYKW-UHFFFAOYSA-N 1 2 286.335 0.373 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)[C@@H]1CCCOC1 ZINC001331426367 917324422 /nfs/dbraw/zinc/32/44/22/917324422.db2.gz MXVZUUPLOHRMPX-AGIUHOORSA-N 1 2 298.383 0.754 20 30 CCEDLO Cc1nc(C[NH2+][C@H](CO)CNC(=O)C#CC2CC2)c(C)o1 ZINC001331712434 917539394 /nfs/dbraw/zinc/53/93/94/917539394.db2.gz OQDPVLJSDOLUCZ-ZDUSSCGKSA-N 1 2 291.351 0.272 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]Cc1nonc1C ZINC001331787013 917607390 /nfs/dbraw/zinc/60/73/90/917607390.db2.gz GEMKQNPPLGKDLF-SMDDNHRTSA-N 1 2 296.371 0.547 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC001332010784 917797556 /nfs/dbraw/zinc/79/75/56/917797556.db2.gz DTUHOVGWGPFSJM-RYUDHWBXSA-N 1 2 298.383 0.754 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001332242410 917988987 /nfs/dbraw/zinc/98/89/87/917988987.db2.gz VHFFNQQZBNIGQK-UQGHGMQMSA-N 1 2 274.364 0.624 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001332242410 917988997 /nfs/dbraw/zinc/98/89/97/917988997.db2.gz VHFFNQQZBNIGQK-UQGHGMQMSA-N 1 2 274.364 0.624 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001403795309 918013923 /nfs/dbraw/zinc/01/39/23/918013923.db2.gz QVFJRRKZOLTXPS-QKCSRTOESA-N 1 2 289.339 0.842 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001403795309 918013937 /nfs/dbraw/zinc/01/39/37/918013937.db2.gz QVFJRRKZOLTXPS-QKCSRTOESA-N 1 2 289.339 0.842 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001332416683 918139415 /nfs/dbraw/zinc/13/94/15/918139415.db2.gz OFXAMAVENWKHEP-RYUDHWBXSA-N 1 2 284.356 0.331 20 30 CCEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001404264035 918268965 /nfs/dbraw/zinc/26/89/65/918268965.db2.gz YEDLDEKUNOTJAX-VXGBXAGGSA-N 1 2 299.802 0.831 20 30 CCEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001404264035 918268977 /nfs/dbraw/zinc/26/89/77/918268977.db2.gz YEDLDEKUNOTJAX-VXGBXAGGSA-N 1 2 299.802 0.831 20 30 CCEDLO N#C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCOC1 ZINC001333396771 918866474 /nfs/dbraw/zinc/86/64/74/918866474.db2.gz BJKJLYKGWSEXIH-GXFFZTMASA-N 1 2 260.297 0.764 20 30 CCEDLO C#CC1(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CCCC1 ZINC001333595017 919026815 /nfs/dbraw/zinc/02/68/15/919026815.db2.gz FNYBIQQERXTXDI-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CC1(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CCCC1 ZINC001333595017 919026828 /nfs/dbraw/zinc/02/68/28/919026828.db2.gz FNYBIQQERXTXDI-CYBMUJFWSA-N 1 2 279.384 0.952 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001333742468 919132896 /nfs/dbraw/zinc/13/28/96/919132896.db2.gz WWPIGWNLFIWYFX-FRRDWIJNSA-N 1 2 285.388 0.596 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001333742468 919132903 /nfs/dbraw/zinc/13/29/03/919132903.db2.gz WWPIGWNLFIWYFX-FRRDWIJNSA-N 1 2 285.388 0.596 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCCC#N ZINC001333980440 919292689 /nfs/dbraw/zinc/29/26/89/919292689.db2.gz SESKEKNNVAMPLS-SNVBAGLBSA-N 1 2 250.302 0.654 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406510724 919315175 /nfs/dbraw/zinc/31/51/75/919315175.db2.gz UIKXQRPVOWUJAN-QWRGUYRKSA-N 1 2 289.339 0.171 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001406594607 919379923 /nfs/dbraw/zinc/37/99/23/919379923.db2.gz AOUDUKOBRXCMJG-SNVBAGLBSA-N 1 2 290.795 0.495 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001406594607 919379932 /nfs/dbraw/zinc/37/99/32/919379932.db2.gz AOUDUKOBRXCMJG-SNVBAGLBSA-N 1 2 290.795 0.495 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001406645983 919411429 /nfs/dbraw/zinc/41/14/29/919411429.db2.gz BYLBZORRZRGNJI-QMMMGPOBSA-N 1 2 272.740 0.013 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001406645983 919411433 /nfs/dbraw/zinc/41/14/33/919411433.db2.gz BYLBZORRZRGNJI-QMMMGPOBSA-N 1 2 272.740 0.013 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001407057452 919593312 /nfs/dbraw/zinc/59/33/12/919593312.db2.gz JJOXJVLJTUMQDA-GFCCVEGCSA-N 1 2 292.383 0.301 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)C(C)C ZINC001335149746 919981815 /nfs/dbraw/zinc/98/18/15/919981815.db2.gz DHLIPXCEXCOUJZ-UHFFFAOYSA-N 1 2 265.357 0.021 20 30 CCEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)c2cocn2)CC1 ZINC001408259843 920115566 /nfs/dbraw/zinc/11/55/66/920115566.db2.gz AALCMWFUOFEIQA-UHFFFAOYSA-N 1 2 299.758 0.984 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)NC(=O)[C@@H](C)C#N ZINC001416867556 921042100 /nfs/dbraw/zinc/04/21/00/921042100.db2.gz HQRFKHSPKLWQQN-VHSXEESVSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C(C)C)n2CC)CC1 ZINC001340231889 922019010 /nfs/dbraw/zinc/01/90/10/922019010.db2.gz XUQHKFUGJLGEMP-CYBMUJFWSA-N 1 2 291.399 0.743 20 30 CCEDLO Cn1ncc2c1ncn(N=Cc1cccc3[nH+]ccn31)c2=O ZINC001340736491 922193503 /nfs/dbraw/zinc/19/35/03/922193503.db2.gz WBFZGVONDLPCIH-UHFFFAOYSA-N 1 2 293.290 0.660 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001340972256 922301681 /nfs/dbraw/zinc/30/16/81/922301681.db2.gz KEQGZIZJJUHBHA-GWCFXTLKSA-N 1 2 262.313 0.490 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C(=O)N(CCC)C1=O ZINC001341077316 922339788 /nfs/dbraw/zinc/33/97/88/922339788.db2.gz OSWWKKKXFDSWBU-UHFFFAOYSA-N 1 2 277.324 0.490 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C(=O)N(CCC)C1=O ZINC001341077316 922339799 /nfs/dbraw/zinc/33/97/99/922339799.db2.gz OSWWKKKXFDSWBU-UHFFFAOYSA-N 1 2 277.324 0.490 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001419062418 922608585 /nfs/dbraw/zinc/60/85/85/922608585.db2.gz IUZLJQBRDUHLOY-LBPRGKRZSA-N 1 2 297.790 0.691 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001419062418 922608586 /nfs/dbraw/zinc/60/85/86/922608586.db2.gz IUZLJQBRDUHLOY-LBPRGKRZSA-N 1 2 297.790 0.691 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419128868 922651183 /nfs/dbraw/zinc/65/11/83/922651183.db2.gz BMIUYEZUIXCAFY-VXGBXAGGSA-N 1 2 290.371 0.398 20 30 CCEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419128868 922651184 /nfs/dbraw/zinc/65/11/84/922651184.db2.gz BMIUYEZUIXCAFY-VXGBXAGGSA-N 1 2 290.371 0.398 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001341808242 922681272 /nfs/dbraw/zinc/68/12/72/922681272.db2.gz FBTSUAJDPNHYOJ-QWHCGFSZSA-N 1 2 289.383 0.810 20 30 CCEDLO C#CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001341808242 922681284 /nfs/dbraw/zinc/68/12/84/922681284.db2.gz FBTSUAJDPNHYOJ-QWHCGFSZSA-N 1 2 289.383 0.810 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001419534334 922901596 /nfs/dbraw/zinc/90/15/96/922901596.db2.gz DSPSBYBGQIPVJE-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001419534334 922901600 /nfs/dbraw/zinc/90/16/00/922901600.db2.gz DSPSBYBGQIPVJE-VXGBXAGGSA-N 1 2 290.371 0.303 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001420269071 923476325 /nfs/dbraw/zinc/47/63/25/923476325.db2.gz XUHZAYHRNSHATH-NSHDSACASA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001420269071 923476337 /nfs/dbraw/zinc/47/63/37/923476337.db2.gz XUHZAYHRNSHATH-NSHDSACASA-N 1 2 287.791 0.846 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001479766662 923572726 /nfs/dbraw/zinc/57/27/26/923572726.db2.gz BYKSMKZLUSPJMW-CQSZACIVSA-N 1 2 281.356 0.940 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001479766662 923572740 /nfs/dbraw/zinc/57/27/40/923572740.db2.gz BYKSMKZLUSPJMW-CQSZACIVSA-N 1 2 281.356 0.940 20 30 CCEDLO C#C[C@H](CC)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001344339842 923582442 /nfs/dbraw/zinc/58/24/42/923582442.db2.gz MDIHEYAZOFWHFX-MCIONIFRSA-N 1 2 281.352 0.821 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)NCCNC(=O)[C@H](C)C#N ZINC001349248778 924916379 /nfs/dbraw/zinc/91/63/79/924916379.db2.gz QFWPVMKGTHCTQB-SNVBAGLBSA-N 1 2 290.323 0.025 20 30 CCEDLO C#CCN(C)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001355761118 926310590 /nfs/dbraw/zinc/31/05/90/926310590.db2.gz QISXQOYFSPAEQN-UHFFFAOYSA-N 1 2 277.372 0.590 20 30 CCEDLO C#CCCCCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358125532 926642298 /nfs/dbraw/zinc/64/22/98/926642298.db2.gz XDVRWVHBGUPYSS-GFCCVEGCSA-N 1 2 290.367 0.767 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001421311054 926668779 /nfs/dbraw/zinc/66/87/79/926668779.db2.gz SNUUYDZRNSIEDZ-JTQLQIEISA-N 1 2 289.763 0.628 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001421311054 926668786 /nfs/dbraw/zinc/66/87/86/926668786.db2.gz SNUUYDZRNSIEDZ-JTQLQIEISA-N 1 2 289.763 0.628 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001358463625 926703385 /nfs/dbraw/zinc/70/33/85/926703385.db2.gz HOZOFMSAILHQLJ-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001358463625 926703393 /nfs/dbraw/zinc/70/33/93/926703393.db2.gz HOZOFMSAILHQLJ-NSHDSACASA-N 1 2 278.356 0.929 20 30 CCEDLO C#CCCCCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001358502978 926717412 /nfs/dbraw/zinc/71/74/12/926717412.db2.gz XDVRWVHBGUPYSS-LBPRGKRZSA-N 1 2 290.367 0.767 20 30 CCEDLO C[C@](Cn1cccn1)([NH2+]Cc1ccc(C#N)o1)C(N)=O ZINC001422440544 927278471 /nfs/dbraw/zinc/27/84/71/927278471.db2.gz PCVCVBCFMWYLKV-CYBMUJFWSA-N 1 2 273.296 0.382 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422585448 927390544 /nfs/dbraw/zinc/39/05/44/927390544.db2.gz JRWLKTZMBYBMBN-ZJUUUORDSA-N 1 2 273.764 0.454 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422585448 927390560 /nfs/dbraw/zinc/39/05/60/927390560.db2.gz JRWLKTZMBYBMBN-ZJUUUORDSA-N 1 2 273.764 0.454 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001422979074 927615745 /nfs/dbraw/zinc/61/57/45/927615745.db2.gz AHQQKANHNKZXBQ-CABZTGNLSA-N 1 2 291.355 0.864 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1C ZINC001362300556 927846829 /nfs/dbraw/zinc/84/68/29/927846829.db2.gz YLVSCSBBISWZPQ-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1C ZINC001362300556 927846835 /nfs/dbraw/zinc/84/68/35/927846835.db2.gz YLVSCSBBISWZPQ-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@H+](C)Cc1ccccc1C#N ZINC001425042111 928411658 /nfs/dbraw/zinc/41/16/58/928411658.db2.gz OEFMRISEOGSQPE-NSHDSACASA-N 1 2 298.350 0.927 20 30 CCEDLO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)Cc1ccccc1C#N ZINC001425042111 928411662 /nfs/dbraw/zinc/41/16/62/928411662.db2.gz OEFMRISEOGSQPE-NSHDSACASA-N 1 2 298.350 0.927 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001425055106 928414000 /nfs/dbraw/zinc/41/40/00/928414000.db2.gz DDCRGTSRHGUSOY-JTQLQIEISA-N 1 2 271.752 0.467 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001425055106 928414002 /nfs/dbraw/zinc/41/40/02/928414002.db2.gz DDCRGTSRHGUSOY-JTQLQIEISA-N 1 2 271.752 0.467 20 30 CCEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001427064688 928965018 /nfs/dbraw/zinc/96/50/18/928965018.db2.gz IPROPYSANIERFA-VHSXEESVSA-N 1 2 289.339 0.075 20 30 CCEDLO Cn1cnnc1C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC001363798683 929585910 /nfs/dbraw/zinc/58/59/10/929585910.db2.gz UPGQZGXZHZTVKB-GFCCVEGCSA-N 1 2 293.371 0.318 20 30 CCEDLO Cn1cnnc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC001363798683 929585924 /nfs/dbraw/zinc/58/59/24/929585924.db2.gz UPGQZGXZHZTVKB-GFCCVEGCSA-N 1 2 293.371 0.318 20 30 CCEDLO C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)Cn1cc[nH+]c1 ZINC001443989364 929759985 /nfs/dbraw/zinc/75/99/85/929759985.db2.gz FZSZMWBDTKSTOV-WDEREUQCSA-N 1 2 277.328 0.006 20 30 CCEDLO CCn1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001444956203 929982034 /nfs/dbraw/zinc/98/20/34/929982034.db2.gz NGUIYNCBHIOVLY-LBPRGKRZSA-N 1 2 277.372 0.953 20 30 CCEDLO CCn1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001444956203 929982041 /nfs/dbraw/zinc/98/20/41/929982041.db2.gz NGUIYNCBHIOVLY-LBPRGKRZSA-N 1 2 277.372 0.953 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001446751506 930472805 /nfs/dbraw/zinc/47/28/05/930472805.db2.gz YTRBWULYVHNESI-MFKMUULPSA-N 1 2 294.380 0.356 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001446751506 930472811 /nfs/dbraw/zinc/47/28/11/930472811.db2.gz YTRBWULYVHNESI-MFKMUULPSA-N 1 2 294.380 0.356 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](COC)OC)C1 ZINC001448324018 930872546 /nfs/dbraw/zinc/87/25/46/930872546.db2.gz ZNQCKRPLOOIGIR-CMPLNLGQSA-N 1 2 290.791 0.837 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001448346198 930876811 /nfs/dbraw/zinc/87/68/11/930876811.db2.gz TVHVYHMVYOCUES-JQWIXIFHSA-N 1 2 299.802 0.844 20 30 CCEDLO C#C[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001450329227 931272578 /nfs/dbraw/zinc/27/25/78/931272578.db2.gz IMRAZZCCBUNNBY-SNVBAGLBSA-N 1 2 271.276 0.302 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641015 361768324 /nfs/dbraw/zinc/76/83/24/361768324.db2.gz GNEUPOVWQBINGK-GHMZBOCLSA-N 1 2 287.335 0.447 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCF)C1 ZINC000599641015 361768328 /nfs/dbraw/zinc/76/83/28/361768328.db2.gz GNEUPOVWQBINGK-GHMZBOCLSA-N 1 2 287.335 0.447 20 30 CCEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599663237 361777484 /nfs/dbraw/zinc/77/74/84/361777484.db2.gz BYONEIHFMIKLKW-AWEZNQCLSA-N 1 2 289.335 0.513 20 30 CCEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599663237 361777490 /nfs/dbraw/zinc/77/74/90/361777490.db2.gz BYONEIHFMIKLKW-AWEZNQCLSA-N 1 2 289.335 0.513 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093531446 349546903 /nfs/dbraw/zinc/54/69/03/349546903.db2.gz TUQCUXBPRZRAKM-SNVBAGLBSA-N 1 2 285.394 0.743 20 30 CCEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093531446 349546904 /nfs/dbraw/zinc/54/69/04/349546904.db2.gz TUQCUXBPRZRAKM-SNVBAGLBSA-N 1 2 285.394 0.743 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000600419438 361954833 /nfs/dbraw/zinc/95/48/33/361954833.db2.gz HOUPVSHSTKLBBS-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000600419438 361954838 /nfs/dbraw/zinc/95/48/38/361954838.db2.gz HOUPVSHSTKLBBS-LLVKDONJSA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C#N)n1 ZINC000600422105 361956701 /nfs/dbraw/zinc/95/67/01/361956701.db2.gz RBRCNJKHEJRUQJ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C#N)n1 ZINC000600422105 361956703 /nfs/dbraw/zinc/95/67/03/361956703.db2.gz RBRCNJKHEJRUQJ-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000110918711 349764856 /nfs/dbraw/zinc/76/48/56/349764856.db2.gz XFTZBTFIBSIVOA-UHFFFAOYSA-N 1 2 288.351 0.748 20 30 CCEDLO Cc1c(C#N)c(=O)n(CCCn2cc[nH+]c2)c(=O)n1C1CC1 ZINC000601091216 362146387 /nfs/dbraw/zinc/14/63/87/362146387.db2.gz BQRIHLJMUAMYGA-UHFFFAOYSA-N 1 2 299.334 0.812 20 30 CCEDLO N#CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC2(CC2)C1 ZINC000601356270 362242917 /nfs/dbraw/zinc/24/29/17/362242917.db2.gz LVBLGDDXVTZPCX-LBPRGKRZSA-N 1 2 274.368 0.186 20 30 CCEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000331552575 529853132 /nfs/dbraw/zinc/85/31/32/529853132.db2.gz WBERZWLBLDPKLG-SNVBAGLBSA-N 1 2 257.359 0.256 20 30 CCEDLO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000331552575 529853134 /nfs/dbraw/zinc/85/31/34/529853134.db2.gz WBERZWLBLDPKLG-SNVBAGLBSA-N 1 2 257.359 0.256 20 30 CCEDLO CCn1cc[nH+]c1CNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000601470516 362283691 /nfs/dbraw/zinc/28/36/91/362283691.db2.gz IRZVTNKILCJINY-JTQLQIEISA-N 1 2 285.373 0.471 20 30 CCEDLO CNS(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000602016001 362457913 /nfs/dbraw/zinc/45/79/13/362457913.db2.gz CHTSQQQCEBATBA-UHFFFAOYSA-N 1 2 271.317 0.336 20 30 CCEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)CO)n1cc[nH+]c1 ZINC000602159809 362534571 /nfs/dbraw/zinc/53/45/71/362534571.db2.gz VQMKMQMOKCGTFP-GHMZBOCLSA-N 1 2 250.302 0.471 20 30 CCEDLO CCO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000602331452 362588417 /nfs/dbraw/zinc/58/84/17/362588417.db2.gz DIYOIOUZVNQGDU-WCQYABFASA-N 1 2 253.346 0.762 20 30 CCEDLO Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1C#N ZINC000367260997 232291410 /nfs/dbraw/zinc/29/14/10/232291410.db2.gz VCLJJVMRURVINQ-HNNXBMFYSA-N 1 2 284.363 0.596 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602757427 362787628 /nfs/dbraw/zinc/78/76/28/362787628.db2.gz DLIFNAWYUBAWME-UHFFFAOYSA-N 1 2 276.384 0.600 20 30 CCEDLO C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H](C)N1CC#N ZINC000602855242 362842546 /nfs/dbraw/zinc/84/25/46/362842546.db2.gz GVLSCGMBHJGZLN-VXGBXAGGSA-N 1 2 250.346 0.137 20 30 CCEDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C#N)n1 ZINC000342512748 137098396 /nfs/dbraw/zinc/09/83/96/137098396.db2.gz PPZXKMXVOAUDNU-HNNXBMFYSA-N 1 2 290.367 0.391 20 30 CCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602869930 362852911 /nfs/dbraw/zinc/85/29/11/362852911.db2.gz QRUMGZGYVSLNPG-GHMZBOCLSA-N 1 2 281.356 0.678 20 30 CCEDLO COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974919 362915804 /nfs/dbraw/zinc/91/58/04/362915804.db2.gz VWBAOPBFCUNLIH-QWRGUYRKSA-N 1 2 267.329 0.290 20 30 CCEDLO COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974919 362915807 /nfs/dbraw/zinc/91/58/07/362915807.db2.gz VWBAOPBFCUNLIH-QWRGUYRKSA-N 1 2 267.329 0.290 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602973501 362917062 /nfs/dbraw/zinc/91/70/62/362917062.db2.gz BAGJBCXLGGUGDA-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602973501 362917065 /nfs/dbraw/zinc/91/70/65/362917065.db2.gz BAGJBCXLGGUGDA-NWDGAFQWSA-N 1 2 251.330 0.469 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000049982235 348462400 /nfs/dbraw/zinc/46/24/00/348462400.db2.gz AFPVSMPJIHUAQX-JTQLQIEISA-N 1 2 252.318 0.480 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000049982235 348462404 /nfs/dbraw/zinc/46/24/04/348462404.db2.gz AFPVSMPJIHUAQX-JTQLQIEISA-N 1 2 252.318 0.480 20 30 CCEDLO C#CC[NH+]1CCN(c2nn3cc(C)nc3s2)CC1 ZINC000051650501 348491753 /nfs/dbraw/zinc/49/17/53/348491753.db2.gz ZGOWTHDMCPPRCC-UHFFFAOYSA-N 1 2 261.354 0.854 20 30 CCEDLO CN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000064140314 348696342 /nfs/dbraw/zinc/69/63/42/348696342.db2.gz BPUZTPVLMOPWDF-UHFFFAOYSA-N 1 2 299.378 0.696 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000066472097 348743944 /nfs/dbraw/zinc/74/39/44/348743944.db2.gz NQNWTWKWNNUEPI-UHFFFAOYSA-N 1 2 274.324 0.154 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1OCCc2ccccc21 ZINC000066497640 348745934 /nfs/dbraw/zinc/74/59/34/348745934.db2.gz LXZBQNCCBQQNCW-CQSZACIVSA-N 1 2 273.336 0.872 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1OCCc2ccccc21 ZINC000066497640 348745936 /nfs/dbraw/zinc/74/59/36/348745936.db2.gz LXZBQNCCBQQNCW-CQSZACIVSA-N 1 2 273.336 0.872 20 30 CCEDLO C#CC[N@@H+](CCCSC)[C@@H]1CCS(=O)(=O)C1 ZINC000072609616 348925347 /nfs/dbraw/zinc/92/53/47/348925347.db2.gz ZKUIYLQTNGZISY-LLVKDONJSA-N 1 2 261.412 0.862 20 30 CCEDLO C#CC[N@H+](CCCSC)[C@@H]1CCS(=O)(=O)C1 ZINC000072609616 348925350 /nfs/dbraw/zinc/92/53/50/348925350.db2.gz ZKUIYLQTNGZISY-LLVKDONJSA-N 1 2 261.412 0.862 20 30 CCEDLO COCC[N@H+](CC(=O)NCC#N)Cc1ccco1 ZINC000076668772 349089499 /nfs/dbraw/zinc/08/94/99/349089499.db2.gz UGLDTVYXLDLTDJ-UHFFFAOYSA-N 1 2 251.286 0.368 20 30 CCEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1ccco1 ZINC000076668772 349089501 /nfs/dbraw/zinc/08/95/01/349089501.db2.gz UGLDTVYXLDLTDJ-UHFFFAOYSA-N 1 2 251.286 0.368 20 30 CCEDLO CCOCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681252 349149436 /nfs/dbraw/zinc/14/94/36/349149436.db2.gz LKOLANRRKIQZMT-UHFFFAOYSA-N 1 2 255.362 0.571 20 30 CCEDLO CN(Cc1ccco1)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000603017788 362940903 /nfs/dbraw/zinc/94/09/03/362940903.db2.gz OIRODIGGAWWUDV-UHFFFAOYSA-N 1 2 290.367 0.769 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000080061752 349200651 /nfs/dbraw/zinc/20/06/51/349200651.db2.gz HBCPYVMGUDCBNK-VOTSOKGWSA-N 1 2 289.379 0.236 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000080061752 349200655 /nfs/dbraw/zinc/20/06/55/349200655.db2.gz HBCPYVMGUDCBNK-VOTSOKGWSA-N 1 2 289.379 0.236 20 30 CCEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000083172410 349303009 /nfs/dbraw/zinc/30/30/09/349303009.db2.gz SAFNTTIBKQXKKD-WDEREUQCSA-N 1 2 277.349 0.792 20 30 CCEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1=O ZINC000083172410 349303013 /nfs/dbraw/zinc/30/30/13/349303013.db2.gz SAFNTTIBKQXKKD-WDEREUQCSA-N 1 2 277.349 0.792 20 30 CCEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NCC#N ZINC000135645971 350404788 /nfs/dbraw/zinc/40/47/88/350404788.db2.gz SKBSOMIMKFWSMS-LLVKDONJSA-N 1 2 261.329 0.369 20 30 CCEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NCC#N ZINC000135645971 350404792 /nfs/dbraw/zinc/40/47/92/350404792.db2.gz SKBSOMIMKFWSMS-LLVKDONJSA-N 1 2 261.329 0.369 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC000603133789 362972122 /nfs/dbraw/zinc/97/21/22/362972122.db2.gz YWLCRTLYRBTOPK-CYBMUJFWSA-N 1 2 288.355 0.321 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccnc(C#N)c2)C1 ZINC000603133789 362972131 /nfs/dbraw/zinc/97/21/31/362972131.db2.gz YWLCRTLYRBTOPK-CYBMUJFWSA-N 1 2 288.355 0.321 20 30 CCEDLO C[C@H](O)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000168988820 350834536 /nfs/dbraw/zinc/83/45/36/350834536.db2.gz DMJVXWHNBBXGKR-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO C[C@H](O)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000168988820 350834540 /nfs/dbraw/zinc/83/45/40/350834540.db2.gz DMJVXWHNBBXGKR-NSHDSACASA-N 1 2 282.365 0.645 20 30 CCEDLO Cc1sc(NC(=O)C[NH2+]C2(C(N)=O)CC2)c(C#N)c1C ZINC000181725556 351334328 /nfs/dbraw/zinc/33/43/28/351334328.db2.gz BTCYPMAWNWSZJX-UHFFFAOYSA-N 1 2 292.364 0.783 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185122636 351433292 /nfs/dbraw/zinc/43/32/92/351433292.db2.gz MKINEGCVGZTSQX-UFYHVXEKSA-N 1 2 287.429 0.693 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185122636 351433298 /nfs/dbraw/zinc/43/32/98/351433298.db2.gz MKINEGCVGZTSQX-UFYHVXEKSA-N 1 2 287.429 0.693 20 30 CCEDLO N#Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000603332385 363069356 /nfs/dbraw/zinc/06/93/56/363069356.db2.gz CRAFRRLFKYIDPR-UHFFFAOYSA-N 1 2 256.191 0.957 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189371698 351672882 /nfs/dbraw/zinc/67/28/82/351672882.db2.gz PBCOOBUTOIZZTD-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189371698 351672885 /nfs/dbraw/zinc/67/28/85/351672885.db2.gz PBCOOBUTOIZZTD-GFCCVEGCSA-N 1 2 265.357 0.069 20 30 CCEDLO N#CC1(CNS(=O)(=O)CCn2cc[nH+]c2)CCC1 ZINC000603356585 363085655 /nfs/dbraw/zinc/08/56/55/363085655.db2.gz BJKQZERNTWMVNZ-UHFFFAOYSA-N 1 2 268.342 0.496 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191774905 351772505 /nfs/dbraw/zinc/77/25/05/351772505.db2.gz ZCVSULGJEWWDHO-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191774905 351772508 /nfs/dbraw/zinc/77/25/08/351772508.db2.gz ZCVSULGJEWWDHO-STQMWFEESA-N 1 2 270.373 0.493 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000225357782 352002540 /nfs/dbraw/zinc/00/25/40/352002540.db2.gz ZUVYGVIZKQTCSR-HNNXBMFYSA-N 1 2 286.379 0.463 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000225357782 352002542 /nfs/dbraw/zinc/00/25/42/352002542.db2.gz ZUVYGVIZKQTCSR-HNNXBMFYSA-N 1 2 286.379 0.463 20 30 CCEDLO N#Cc1ccc(NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000244277855 352310036 /nfs/dbraw/zinc/31/00/36/352310036.db2.gz WSHVVJPGPRYWDK-UHFFFAOYSA-N 1 2 288.351 0.419 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246281328 352358540 /nfs/dbraw/zinc/35/85/40/352358540.db2.gz CJHXEGIHXFLAMW-ZWNOBZJWSA-N 1 2 259.309 0.805 20 30 CCEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000246281328 352358545 /nfs/dbraw/zinc/35/85/45/352358545.db2.gz CJHXEGIHXFLAMW-ZWNOBZJWSA-N 1 2 259.309 0.805 20 30 CCEDLO C=CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261637296 352562449 /nfs/dbraw/zinc/56/24/49/352562449.db2.gz FZXITYFUFSZCJS-ZDUSSCGKSA-N 1 2 281.381 0.934 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265640461 352652290 /nfs/dbraw/zinc/65/22/90/352652290.db2.gz JOGUXDLJOYFGPH-CHWSQXEVSA-N 1 2 279.384 0.738 20 30 CCEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265640461 352652293 /nfs/dbraw/zinc/65/22/93/352652293.db2.gz JOGUXDLJOYFGPH-CHWSQXEVSA-N 1 2 279.384 0.738 20 30 CCEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(=O)[nH][nH]3)CC2)cc1 ZINC000271578872 191222458 /nfs/dbraw/zinc/22/24/58/191222458.db2.gz BLMTZHZDYRARJY-UHFFFAOYSA-N 1 2 298.350 0.287 20 30 CCEDLO N#Cc1nc(NCCC[N@@H+]2CCNC(=O)C2)ccc1Cl ZINC000269920376 352885289 /nfs/dbraw/zinc/88/52/89/352885289.db2.gz AISFUINVYAOUTB-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO N#Cc1nc(NCCC[N@H+]2CCNC(=O)C2)ccc1Cl ZINC000269920376 352885293 /nfs/dbraw/zinc/88/52/93/352885293.db2.gz AISFUINVYAOUTB-UHFFFAOYSA-N 1 2 293.758 0.840 20 30 CCEDLO Cc1cc(C#N)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000555581213 290976488 /nfs/dbraw/zinc/97/64/88/290976488.db2.gz QBWQOUWHTCCJIC-AWEZNQCLSA-N 1 2 276.336 0.939 20 30 CCEDLO Cn1ncnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241112 198214588 /nfs/dbraw/zinc/21/45/88/198214588.db2.gz QGICTNGUTAHCFR-GFCCVEGCSA-N 1 2 284.323 0.735 20 30 CCEDLO Cn1ncnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241112 198214589 /nfs/dbraw/zinc/21/45/89/198214589.db2.gz QGICTNGUTAHCFR-GFCCVEGCSA-N 1 2 284.323 0.735 20 30 CCEDLO C=CCNC(=O)C[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000152254040 188005355 /nfs/dbraw/zinc/00/53/55/188005355.db2.gz QLKMAPXSHVGEDX-UHFFFAOYSA-N 1 2 276.402 0.434 20 30 CCEDLO C=CCNC(=O)C[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000152254040 188005357 /nfs/dbraw/zinc/00/53/57/188005357.db2.gz QLKMAPXSHVGEDX-UHFFFAOYSA-N 1 2 276.402 0.434 20 30 CCEDLO CC#CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000277626985 353254943 /nfs/dbraw/zinc/25/49/43/353254943.db2.gz BTWIEBPBNRGHJG-CYBMUJFWSA-N 1 2 277.368 0.165 20 30 CCEDLO CC1(C)C[N@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000287312789 353637750 /nfs/dbraw/zinc/63/77/50/353637750.db2.gz GYQXOAUMLLVCKG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(C#N)ccn2)CCO1 ZINC000287312789 353637754 /nfs/dbraw/zinc/63/77/54/353637754.db2.gz GYQXOAUMLLVCKG-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1ccnc(SCC[NH+]2CCOCC2)n1 ZINC000296240718 353937983 /nfs/dbraw/zinc/93/79/83/353937983.db2.gz FGDNQKYYXWFMTO-UHFFFAOYSA-N 1 2 250.327 0.773 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)C[C@@H]21 ZINC000329455368 283000013 /nfs/dbraw/zinc/00/00/13/283000013.db2.gz MQCVIWIQYDWUMJ-FRRDWIJNSA-N 1 2 283.372 0.484 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)C[C@@H]21 ZINC000329455368 283000016 /nfs/dbraw/zinc/00/00/16/283000016.db2.gz MQCVIWIQYDWUMJ-FRRDWIJNSA-N 1 2 283.372 0.484 20 30 CCEDLO C[C@@H](C[NH2+]Cc1nc(C#N)cs1)S(C)(=O)=O ZINC000309580424 354186875 /nfs/dbraw/zinc/18/68/75/354186875.db2.gz QERRUGQGLOZQDP-ZETCQYMHSA-N 1 2 259.356 0.537 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329544618 354258361 /nfs/dbraw/zinc/25/83/61/354258361.db2.gz GEOYHTUBSLRYFR-WRWGMCAJSA-N 1 2 296.371 0.280 20 30 CCEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329544618 354258362 /nfs/dbraw/zinc/25/83/62/354258362.db2.gz GEOYHTUBSLRYFR-WRWGMCAJSA-N 1 2 296.371 0.280 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](COCC3CC3)C2)C1=O ZINC000337182580 355279546 /nfs/dbraw/zinc/27/95/46/355279546.db2.gz BJLZBOQGGKGTJQ-CABCVRRESA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](COCC3CC3)C2)C1=O ZINC000337182580 355279550 /nfs/dbraw/zinc/27/95/50/355279550.db2.gz BJLZBOQGGKGTJQ-CABCVRRESA-N 1 2 294.395 0.901 20 30 CCEDLO CC(C)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000338882779 355444660 /nfs/dbraw/zinc/44/46/60/355444660.db2.gz ITAPFIWTWHKUCU-MWLCHTKSSA-N 1 2 287.327 0.947 20 30 CCEDLO Cc1cc(N(C)CCNC(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425249489 235277238 /nfs/dbraw/zinc/27/72/38/235277238.db2.gz UGVKXCWPXNBCSJ-UHFFFAOYSA-N 1 2 261.329 0.969 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915253 355589535 /nfs/dbraw/zinc/58/95/35/355589535.db2.gz IJHBPFYENAFHAW-YPMHNXCESA-N 1 2 294.376 0.787 20 30 CCEDLO C[C@@H]1C[C@H](O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000340915253 355589539 /nfs/dbraw/zinc/58/95/39/355589539.db2.gz IJHBPFYENAFHAW-YPMHNXCESA-N 1 2 294.376 0.787 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343358138 355769178 /nfs/dbraw/zinc/76/91/78/355769178.db2.gz KYBIVLDTLYFJHA-TZMCWYRMSA-N 1 2 268.357 0.293 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343358138 355769180 /nfs/dbraw/zinc/76/91/80/355769180.db2.gz KYBIVLDTLYFJHA-TZMCWYRMSA-N 1 2 268.357 0.293 20 30 CCEDLO N#Cc1cccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000348726567 355965504 /nfs/dbraw/zinc/96/55/04/355965504.db2.gz GLSFKENFTONPRU-LBPRGKRZSA-N 1 2 281.275 0.949 20 30 CCEDLO CC(C)NS(=O)(=O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000352836705 356093481 /nfs/dbraw/zinc/09/34/81/356093481.db2.gz WVBJGZFUTUXWHN-UHFFFAOYSA-N 1 2 288.398 0.432 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000353107422 356157364 /nfs/dbraw/zinc/15/73/64/356157364.db2.gz CZRXEIVDMIVWAE-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)ccn1 ZINC000353107422 356157367 /nfs/dbraw/zinc/15/73/67/356157367.db2.gz CZRXEIVDMIVWAE-LLVKDONJSA-N 1 2 274.324 0.404 20 30 CCEDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000361045734 138019803 /nfs/dbraw/zinc/01/98/03/138019803.db2.gz MIFQLFFWGXCFPF-MRVPVSSYSA-N 1 2 272.268 0.753 20 30 CCEDLO N#C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCSC1 ZINC000608777615 363461986 /nfs/dbraw/zinc/46/19/86/363461986.db2.gz NTWZTJTXKQGFQD-NSHDSACASA-N 1 2 250.327 0.789 20 30 CCEDLO Cc1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000362758938 138073152 /nfs/dbraw/zinc/07/31/52/138073152.db2.gz MOKVZZJPBVHXDD-CYBMUJFWSA-N 1 2 287.367 0.876 20 30 CCEDLO CC(C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486105 363498679 /nfs/dbraw/zinc/49/86/79/363498679.db2.gz CYGFKSAYEJVWOY-ZDUSSCGKSA-N 1 2 266.389 0.677 20 30 CCEDLO CC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)CCC#N ZINC000609845702 363520309 /nfs/dbraw/zinc/52/03/09/363520309.db2.gz KJJCKIZORYUWBH-UHFFFAOYSA-N 1 2 293.371 0.052 20 30 CCEDLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)CCC#N ZINC000609845702 363520313 /nfs/dbraw/zinc/52/03/13/363520313.db2.gz KJJCKIZORYUWBH-UHFFFAOYSA-N 1 2 293.371 0.052 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000609921389 363529200 /nfs/dbraw/zinc/52/92/00/363529200.db2.gz PQCLDXHCFGVIMQ-LBPRGKRZSA-N 1 2 275.356 0.614 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000619717176 366334540 /nfs/dbraw/zinc/33/45/40/366334540.db2.gz FLINTRANVGRCJX-MNOVXSKESA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000619717176 366334546 /nfs/dbraw/zinc/33/45/46/366334546.db2.gz FLINTRANVGRCJX-MNOVXSKESA-N 1 2 254.330 0.692 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000619718006 366335495 /nfs/dbraw/zinc/33/54/95/366335495.db2.gz LOGJEIPXVDFGMA-MNOVXSKESA-N 1 2 267.325 0.989 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356238056 356729918 /nfs/dbraw/zinc/72/99/18/356729918.db2.gz LWLMHZOWNNUISB-SECBINFHSA-N 1 2 264.354 0.973 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356238056 356729920 /nfs/dbraw/zinc/72/99/20/356729920.db2.gz LWLMHZOWNNUISB-SECBINFHSA-N 1 2 264.354 0.973 20 30 CCEDLO CC[N@H+](CCOCCO)Cc1nc(C#N)cs1 ZINC000356302060 356743375 /nfs/dbraw/zinc/74/33/75/356743375.db2.gz MUPPXBLDBMCSQM-UHFFFAOYSA-N 1 2 255.343 0.846 20 30 CCEDLO CC[N@@H+](CCOCCO)Cc1nc(C#N)cs1 ZINC000356302060 356743380 /nfs/dbraw/zinc/74/33/80/356743380.db2.gz MUPPXBLDBMCSQM-UHFFFAOYSA-N 1 2 255.343 0.846 20 30 CCEDLO Cn1ncc2c1nc(NCCc1cccc(C#N)c1)[nH+]c2N ZINC000359947661 356925380 /nfs/dbraw/zinc/92/53/80/356925380.db2.gz RFWHRRKBCOEBOT-UHFFFAOYSA-N 1 2 293.334 0.894 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(CCC)C(=O)C2)C1=O ZINC000374071932 357394472 /nfs/dbraw/zinc/39/44/72/357394472.db2.gz LDPAIWGVFVYHOC-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCCN(CCC)C(=O)C2)C1=O ZINC000374071932 357394474 /nfs/dbraw/zinc/39/44/74/357394474.db2.gz LDPAIWGVFVYHOC-ZDUSSCGKSA-N 1 2 279.384 0.718 20 30 CCEDLO C[C@H](NC(=O)c1ccc(C#N)n1C)[C@H](C)[NH+]1CCOCC1 ZINC000448919108 236008369 /nfs/dbraw/zinc/00/83/69/236008369.db2.gz YBGLKUYETUUZSK-RYUDHWBXSA-N 1 2 290.367 0.736 20 30 CCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377692 358061966 /nfs/dbraw/zinc/06/19/66/358061966.db2.gz YTJQIYLKHYGBGC-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccnc1C#N ZINC000408377692 358061968 /nfs/dbraw/zinc/06/19/68/358061968.db2.gz YTJQIYLKHYGBGC-QWRGUYRKSA-N 1 2 294.380 0.666 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@@H]1C ZINC000450595441 358256902 /nfs/dbraw/zinc/25/69/02/358256902.db2.gz VJZPQIUAKWDDSL-XUJVJEKNSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@@H]1C ZINC000450595441 358256904 /nfs/dbraw/zinc/25/69/04/358256904.db2.gz VJZPQIUAKWDDSL-XUJVJEKNSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@H]1C ZINC000450595440 358256970 /nfs/dbraw/zinc/25/69/70/358256970.db2.gz VJZPQIUAKWDDSL-JMSVASOKSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@H]1C ZINC000450595440 358256972 /nfs/dbraw/zinc/25/69/72/358256972.db2.gz VJZPQIUAKWDDSL-JMSVASOKSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@@H]1C ZINC000450595439 358257002 /nfs/dbraw/zinc/25/70/02/358257002.db2.gz VJZPQIUAKWDDSL-HUBLWGQQSA-N 1 2 293.367 0.632 20 30 CCEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@@H]1C ZINC000450595439 358257005 /nfs/dbraw/zinc/25/70/05/358257005.db2.gz VJZPQIUAKWDDSL-HUBLWGQQSA-N 1 2 293.367 0.632 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(C)o2)CC1 ZINC000490778916 358291135 /nfs/dbraw/zinc/29/11/35/358291135.db2.gz OQQJPOFGGPRKOY-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(C)o2)CC1 ZINC000490778916 358291138 /nfs/dbraw/zinc/29/11/38/358291138.db2.gz OQQJPOFGGPRKOY-UHFFFAOYSA-N 1 2 289.379 0.797 20 30 CCEDLO C#C[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)C(C)(C)C ZINC000491622936 358295414 /nfs/dbraw/zinc/29/54/14/358295414.db2.gz FLXSPXYMAZLVMM-LBPRGKRZSA-N 1 2 281.400 0.607 20 30 CCEDLO C#C[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)C(C)(C)C ZINC000491622936 358295415 /nfs/dbraw/zinc/29/54/15/358295415.db2.gz FLXSPXYMAZLVMM-LBPRGKRZSA-N 1 2 281.400 0.607 20 30 CCEDLO Cn1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493041785 358304687 /nfs/dbraw/zinc/30/46/87/358304687.db2.gz ACDYZFYHMYJPDC-GJBLVYBDSA-N 1 2 260.341 0.998 20 30 CCEDLO Cn1nccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493585292 358309275 /nfs/dbraw/zinc/30/92/75/358309275.db2.gz HVVRRVJFRYAUNX-GFUIURDCSA-N 1 2 261.329 0.393 20 30 CCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncncc1C#N ZINC000516966694 358341314 /nfs/dbraw/zinc/34/13/14/358341314.db2.gz AGSCOYMGLIMTCR-DGCLKSJQSA-N 1 2 273.340 0.648 20 30 CCEDLO CCC[C@H]([NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)C(=O)OC ZINC000570964444 358899516 /nfs/dbraw/zinc/89/95/16/358899516.db2.gz RYFVZYCQMJMWJV-PWSUYJOCSA-N 1 2 291.355 0.728 20 30 CCEDLO CC(C)CN1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579844965 359054139 /nfs/dbraw/zinc/05/41/39/359054139.db2.gz SJESFDWCEVOBOD-DOMZBBRYSA-N 1 2 294.399 0.451 20 30 CCEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)ccn1 ZINC000587044931 359298589 /nfs/dbraw/zinc/29/85/89/359298589.db2.gz CSRAAQNIYKMKJQ-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000590737009 359512519 /nfs/dbraw/zinc/51/25/19/359512519.db2.gz IEFGWMLYTQTOTP-IUCAKERBSA-N 1 2 267.285 0.682 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000590737009 359512524 /nfs/dbraw/zinc/51/25/24/359512524.db2.gz IEFGWMLYTQTOTP-IUCAKERBSA-N 1 2 267.285 0.682 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754293 359516482 /nfs/dbraw/zinc/51/64/82/359516482.db2.gz QHDKSFCQJAZTCT-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754293 359516485 /nfs/dbraw/zinc/51/64/85/359516485.db2.gz QHDKSFCQJAZTCT-UHFFFAOYSA-N 1 2 276.340 0.834 20 30 CCEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCC1(F)F ZINC000591767381 359656382 /nfs/dbraw/zinc/65/63/82/359656382.db2.gz OYJCMCXMOQDJNM-QWRGUYRKSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H]1CCCC1(F)F ZINC000591767381 359656386 /nfs/dbraw/zinc/65/63/86/359656386.db2.gz OYJCMCXMOQDJNM-QWRGUYRKSA-N 1 2 261.316 0.970 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H]1CCCC1(F)F ZINC000591767381 359656391 /nfs/dbraw/zinc/65/63/91/359656391.db2.gz OYJCMCXMOQDJNM-QWRGUYRKSA-N 1 2 261.316 0.970 20 30 CCEDLO Cc1cc(N(C)CCN2CCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000591820945 359662525 /nfs/dbraw/zinc/66/25/25/359662525.db2.gz LDVMERLQEZJAKM-UHFFFAOYSA-N 1 2 294.380 0.733 20 30 CCEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000591845632 359665007 /nfs/dbraw/zinc/66/50/07/359665007.db2.gz CXNMDSFDAPUYAC-CYBMUJFWSA-N 1 2 278.400 0.917 20 30 CCEDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592083618 359751266 /nfs/dbraw/zinc/75/12/66/359751266.db2.gz DEDNYPGAKBYISB-AWEZNQCLSA-N 1 2 289.335 0.699 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592191159 359780616 /nfs/dbraw/zinc/78/06/16/359780616.db2.gz AQTVSULHOOJDRA-WCQYABFASA-N 1 2 275.308 0.309 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592191159 359780620 /nfs/dbraw/zinc/78/06/20/359780620.db2.gz AQTVSULHOOJDRA-WCQYABFASA-N 1 2 275.308 0.309 20 30 CCEDLO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000592126459 359761329 /nfs/dbraw/zinc/76/13/29/359761329.db2.gz OVOKKGLWCBYPND-CABCVRRESA-N 1 2 272.352 0.858 20 30 CCEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000592126459 359761330 /nfs/dbraw/zinc/76/13/30/359761330.db2.gz OVOKKGLWCBYPND-CABCVRRESA-N 1 2 272.352 0.858 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147370 359766278 /nfs/dbraw/zinc/76/62/78/359766278.db2.gz KPGQAPSLDQGZIK-MBNYWOFBSA-N 1 2 281.356 0.021 20 30 CCEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147370 359766282 /nfs/dbraw/zinc/76/62/82/359766282.db2.gz KPGQAPSLDQGZIK-MBNYWOFBSA-N 1 2 281.356 0.021 20 30 CCEDLO COC(=O)c1coc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152601 359770258 /nfs/dbraw/zinc/77/02/58/359770258.db2.gz YRYWYBDULJEPLA-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO COC(=O)c1coc(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152601 359770263 /nfs/dbraw/zinc/77/02/63/359770263.db2.gz YRYWYBDULJEPLA-CYBMUJFWSA-N 1 2 264.281 0.917 20 30 CCEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000592284811 359811135 /nfs/dbraw/zinc/81/11/35/359811135.db2.gz OVIVGODEHUCWAY-UHFFFAOYSA-N 1 2 299.334 0.198 20 30 CCEDLO CC1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611176175 363672407 /nfs/dbraw/zinc/67/24/07/363672407.db2.gz VIVOHNWLLMOCKW-UHFFFAOYSA-N 1 2 278.400 0.776 20 30 CCEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(CCC#N)CC1 ZINC000611175679 363672463 /nfs/dbraw/zinc/67/24/63/363672463.db2.gz GENGEXVYPJZMEI-UONOGXRCSA-N 1 2 294.399 0.201 20 30 CCEDLO Cc1cc(NC(=O)NC2CCN(CC#N)CC2)cc[nH+]1 ZINC000611246313 363697014 /nfs/dbraw/zinc/69/70/14/363697014.db2.gz IRRRBOWPNUCVOA-UHFFFAOYSA-N 1 2 273.340 0.921 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000593056461 360023095 /nfs/dbraw/zinc/02/30/95/360023095.db2.gz JXOCPIUFUQZZQB-LLVKDONJSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OC[C@H]1CC ZINC000593056461 360023097 /nfs/dbraw/zinc/02/30/97/360023097.db2.gz JXOCPIUFUQZZQB-LLVKDONJSA-N 1 2 283.372 0.888 20 30 CCEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000593493656 360097913 /nfs/dbraw/zinc/09/79/13/360097913.db2.gz IGPKVYPPAAYXKD-CHWSQXEVSA-N 1 2 265.357 0.859 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000593451602 360091276 /nfs/dbraw/zinc/09/12/76/360091276.db2.gz UACGTBITWCMKIR-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000593451602 360091280 /nfs/dbraw/zinc/09/12/80/360091280.db2.gz UACGTBITWCMKIR-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000593602122 360119012 /nfs/dbraw/zinc/11/90/12/360119012.db2.gz RVLFIUHKSHMLSO-LBPRGKRZSA-N 1 2 273.340 0.983 20 30 CCEDLO CC1(C)C[NH+](CC(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000594257255 360264867 /nfs/dbraw/zinc/26/48/67/360264867.db2.gz BYFWLHFXKIIBRZ-GFCCVEGCSA-N 1 2 253.371 0.844 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595426193 360528464 /nfs/dbraw/zinc/52/84/64/360528464.db2.gz OOFYUIDHZKITLT-DOMZBBRYSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595426193 360528466 /nfs/dbraw/zinc/52/84/66/360528466.db2.gz OOFYUIDHZKITLT-DOMZBBRYSA-N 1 2 293.367 0.776 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595348581 360505015 /nfs/dbraw/zinc/50/50/15/360505015.db2.gz TXIBBXOORCWJIZ-CHWSQXEVSA-N 1 2 256.346 0.900 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595348581 360505020 /nfs/dbraw/zinc/50/50/20/360505020.db2.gz TXIBBXOORCWJIZ-CHWSQXEVSA-N 1 2 256.346 0.900 20 30 CCEDLO C[C@@H](NS(=O)(=O)c1cccnc1C#N)c1[nH+]ccn1C ZINC000595381994 360513597 /nfs/dbraw/zinc/51/35/97/360513597.db2.gz AWUMDSZMAWPECB-SECBINFHSA-N 1 2 291.336 0.726 20 30 CCEDLO COCCOCCOCCC[NH+]1CC(C)(C#N)C1 ZINC000595465580 360542236 /nfs/dbraw/zinc/54/22/36/360542236.db2.gz CFQIGGYYHWAYNU-UHFFFAOYSA-N 1 2 256.346 0.902 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN2CC[C@](O)(CC#N)C2)C[C@H](C)O1 ZINC000595558039 360580209 /nfs/dbraw/zinc/58/02/09/360580209.db2.gz NJBYTPVNYQZJFZ-HZSPNIEDSA-N 1 2 267.373 0.446 20 30 CCEDLO C[C@@H]1C[N@H+](CCN2CC[C@](O)(CC#N)C2)C[C@H](C)O1 ZINC000595558039 360580218 /nfs/dbraw/zinc/58/02/18/360580218.db2.gz NJBYTPVNYQZJFZ-HZSPNIEDSA-N 1 2 267.373 0.446 20 30 CCEDLO N#CCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595581052 360588322 /nfs/dbraw/zinc/58/83/22/360588322.db2.gz YOUPAJHFUBQTMC-GFCCVEGCSA-N 1 2 266.345 0.406 20 30 CCEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000595642331 360603101 /nfs/dbraw/zinc/60/31/01/360603101.db2.gz GIOGXFBHDRGGOC-BFHYXJOUSA-N 1 2 292.383 0.795 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840822 360676041 /nfs/dbraw/zinc/67/60/41/360676041.db2.gz GBPWZDNUEGDXIR-IUODEOHRSA-N 1 2 293.367 0.776 20 30 CCEDLO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595840822 360676043 /nfs/dbraw/zinc/67/60/43/360676043.db2.gz GBPWZDNUEGDXIR-IUODEOHRSA-N 1 2 293.367 0.776 20 30 CCEDLO Cc1ccc(C#N)nc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000596172192 360820884 /nfs/dbraw/zinc/82/08/84/360820884.db2.gz IKPUDFTUVFBBHI-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO Cc1ccc(C#N)nc1NCCC[N@H+]1CCNC(=O)C1 ZINC000596172192 360820889 /nfs/dbraw/zinc/82/08/89/360820889.db2.gz IKPUDFTUVFBBHI-UHFFFAOYSA-N 1 2 273.340 0.496 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996935 361304947 /nfs/dbraw/zinc/30/49/47/361304947.db2.gz RRNLAOBRBZQVAN-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@H](CC#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996935 361304952 /nfs/dbraw/zinc/30/49/52/361304952.db2.gz RRNLAOBRBZQVAN-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)(C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000611688541 363762364 /nfs/dbraw/zinc/76/23/64/363762364.db2.gz VWVQEOMZBREZNX-UHFFFAOYSA-N 1 2 270.296 0.942 20 30 CCEDLO CO[C@@H]1CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000598837246 361523139 /nfs/dbraw/zinc/52/31/39/361523139.db2.gz UMMMUPHHZZIMOC-WZRBSPASSA-N 1 2 253.346 0.762 20 30 CCEDLO Cn1ncc(Cl)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836242 361523413 /nfs/dbraw/zinc/52/34/13/361523413.db2.gz DCPIGSXHMZSIDA-LLVKDONJSA-N 1 2 269.736 0.647 20 30 CCEDLO Cc1ccncc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598837557 361523591 /nfs/dbraw/zinc/52/35/91/361523591.db2.gz WSCVIYUEPOCJNI-AWEZNQCLSA-N 1 2 260.341 0.893 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598946170 361537696 /nfs/dbraw/zinc/53/76/96/361537696.db2.gz DGLBJRPUNBURQB-UHFFFAOYSA-N 1 2 288.355 0.009 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000598946170 361537705 /nfs/dbraw/zinc/53/77/05/361537705.db2.gz DGLBJRPUNBURQB-UHFFFAOYSA-N 1 2 288.355 0.009 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599087137 361569741 /nfs/dbraw/zinc/56/97/41/361569741.db2.gz VIUNRVAIGWVVSZ-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599087137 361569743 /nfs/dbraw/zinc/56/97/43/361569743.db2.gz VIUNRVAIGWVVSZ-QJPTWQEYSA-N 1 2 266.345 0.308 20 30 CCEDLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ncc1C#N ZINC000598940964 361534971 /nfs/dbraw/zinc/53/49/71/361534971.db2.gz ZJAVFTNOEAYTGC-NSHDSACASA-N 1 2 267.292 0.813 20 30 CCEDLO Cc1cc(N2CCC(NS(N)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000599176640 361599936 /nfs/dbraw/zinc/59/99/36/361599936.db2.gz WELKMKHSQGFTFT-UHFFFAOYSA-N 1 2 295.368 0.024 20 30 CCEDLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000599455360 361709837 /nfs/dbraw/zinc/70/98/37/361709837.db2.gz NGXLWPZUCIIQPG-ZDUSSCGKSA-N 1 2 253.346 0.499 20 30 CCEDLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000599455360 361709843 /nfs/dbraw/zinc/70/98/43/361709843.db2.gz NGXLWPZUCIIQPG-ZDUSSCGKSA-N 1 2 253.346 0.499 20 30 CCEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161826 363858368 /nfs/dbraw/zinc/85/83/68/363858368.db2.gz FOTHLVDDJNFWPL-LBPRGKRZSA-N 1 2 273.402 0.941 20 30 CCEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161826 363858371 /nfs/dbraw/zinc/85/83/71/363858371.db2.gz FOTHLVDDJNFWPL-LBPRGKRZSA-N 1 2 273.402 0.941 20 30 CCEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000612163122 363858789 /nfs/dbraw/zinc/85/87/89/363858789.db2.gz ODAIZMTURDLCAL-ZDUSSCGKSA-N 1 2 251.330 0.471 20 30 CCEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000612163122 363858790 /nfs/dbraw/zinc/85/87/90/363858790.db2.gz ODAIZMTURDLCAL-ZDUSSCGKSA-N 1 2 251.330 0.471 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@@H+](CCC#N)CCOC ZINC000613257128 364184660 /nfs/dbraw/zinc/18/46/60/364184660.db2.gz HMAHPIZDIQRYDR-LBPRGKRZSA-N 1 2 258.318 0.163 20 30 CCEDLO CCOC(=O)[C@@](C)(O)C[N@H+](CCC#N)CCOC ZINC000613257128 364184664 /nfs/dbraw/zinc/18/46/64/364184664.db2.gz HMAHPIZDIQRYDR-LBPRGKRZSA-N 1 2 258.318 0.163 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000613394804 364236776 /nfs/dbraw/zinc/23/67/76/364236776.db2.gz OJMCKVPZIWFFLY-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613394804 364236780 /nfs/dbraw/zinc/23/67/80/364236780.db2.gz OJMCKVPZIWFFLY-RISCZKNCSA-N 1 2 261.325 0.925 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615768993 365083790 /nfs/dbraw/zinc/08/37/90/365083790.db2.gz HRJJCGZTALYKDM-GWCFXTLKSA-N 1 2 262.313 0.490 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796549006 581443222 /nfs/dbraw/zinc/44/32/22/581443222.db2.gz FGZJCOZHHGVUDN-UHFFFAOYSA-N 1 2 261.272 0.729 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624728821 367969130 /nfs/dbraw/zinc/96/91/30/367969130.db2.gz BFDYWNGVTYTTIP-STQMWFEESA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624728821 367969137 /nfs/dbraw/zinc/96/91/37/367969137.db2.gz BFDYWNGVTYTTIP-STQMWFEESA-N 1 2 267.373 0.925 20 30 CCEDLO COCC#CCN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625499906 368224464 /nfs/dbraw/zinc/22/44/64/368224464.db2.gz NUZUOUTYGGDNNE-OAHLLOKOSA-N 1 2 285.351 0.741 20 30 CCEDLO C=CCN(CC=C)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625441164 368202900 /nfs/dbraw/zinc/20/29/00/368202900.db2.gz YDDGQOFPVGHLKM-UHFFFAOYSA-N 1 2 260.341 0.968 20 30 CCEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330633218 203060625 /nfs/dbraw/zinc/06/06/25/203060625.db2.gz RZMNWJSFQGIGIB-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330633218 203060628 /nfs/dbraw/zinc/06/06/28/203060628.db2.gz RZMNWJSFQGIGIB-LBPRGKRZSA-N 1 2 295.364 0.430 20 30 CCEDLO C=C[C@](C)(O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628824621 369409589 /nfs/dbraw/zinc/40/95/89/369409589.db2.gz ALXQRVJFFSRIEV-HNNXBMFYSA-N 1 2 292.383 0.795 20 30 CCEDLO Cc1cc(C#N)cnc1C(=O)NCCn1cc[nH+]c1 ZINC000567591325 291493107 /nfs/dbraw/zinc/49/31/07/291493107.db2.gz BTNBFLPJRVSFQQ-UHFFFAOYSA-N 1 2 255.281 0.888 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000630971945 370343769 /nfs/dbraw/zinc/34/37/69/370343769.db2.gz JQOKTHLJCXYVJJ-AVGNSLFASA-N 1 2 295.383 0.982 20 30 CCEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C1=O ZINC000630971948 370343997 /nfs/dbraw/zinc/34/39/97/370343997.db2.gz JQOKTHLJCXYVJJ-XQQFMLRXSA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2CN(c3ccncn3)C2)nn1 ZINC000631255441 370439199 /nfs/dbraw/zinc/43/91/99/370439199.db2.gz GEGYZGBLHBURKD-UHFFFAOYSA-N 1 2 285.355 0.623 20 30 CCEDLO Cn1nccc1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574404110 335016994 /nfs/dbraw/zinc/01/69/94/335016994.db2.gz KWRVLGBFVPJMLD-CYBMUJFWSA-N 1 2 263.345 0.313 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634738478 372181472 /nfs/dbraw/zinc/18/14/72/372181472.db2.gz QAYNSWJYKYOOTH-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634738478 372181476 /nfs/dbraw/zinc/18/14/76/372181476.db2.gz QAYNSWJYKYOOTH-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO N#CCCN(CC[C@@H]1CCNC1=O)CC[NH+]1CCOCC1 ZINC000574410335 335017586 /nfs/dbraw/zinc/01/75/86/335017586.db2.gz HEJJYSNAJVRLNH-AWEZNQCLSA-N 1 2 294.399 0.060 20 30 CCEDLO C#CC[N@@H+](CCOCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491119729 261335331 /nfs/dbraw/zinc/33/53/31/261335331.db2.gz JLKSWZKVARBYHS-LBPRGKRZSA-N 1 2 257.355 0.311 20 30 CCEDLO C#CC[N@H+](CCOCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491119729 261335332 /nfs/dbraw/zinc/33/53/32/261335332.db2.gz JLKSWZKVARBYHS-LBPRGKRZSA-N 1 2 257.355 0.311 20 30 CCEDLO C=CCN1CC[C@@H](N(C)C(=O)Cc2[nH]cc(CC)[nH+]2)C1=O ZINC000635892547 373061858 /nfs/dbraw/zinc/06/18/58/373061858.db2.gz ZRHQNZHFCHKEJH-GFCCVEGCSA-N 1 2 290.367 0.760 20 30 CCEDLO C=CCn1cc(CNC(=O)Cc2[nH]cc(CC)[nH+]2)nn1 ZINC000636056357 373305383 /nfs/dbraw/zinc/30/53/83/373305383.db2.gz NHUKRPZNGPLNOE-UHFFFAOYSA-N 1 2 274.328 0.609 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000568384230 291587632 /nfs/dbraw/zinc/58/76/32/291587632.db2.gz JJDMBUMDTIEIMT-GFCCVEGCSA-N 1 2 294.380 0.780 20 30 CCEDLO C=CC1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637994967 374540141 /nfs/dbraw/zinc/54/01/41/374540141.db2.gz ZIDFWSLUHWIVQA-LLVKDONJSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)C1=O ZINC000639689685 375922162 /nfs/dbraw/zinc/92/21/62/375922162.db2.gz KGWZNTDEOPQLSM-LPWJVIDDSA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)C1=O ZINC000639689685 375922167 /nfs/dbraw/zinc/92/21/67/375922167.db2.gz KGWZNTDEOPQLSM-LPWJVIDDSA-N 1 2 279.384 0.713 20 30 CCEDLO C=CCNC(=O)[C@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640884127 376597437 /nfs/dbraw/zinc/59/74/37/376597437.db2.gz VJXFTRDCPXAYQT-NSHDSACASA-N 1 2 295.412 0.690 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCC2CCC2)nn1 ZINC000641042788 376704779 /nfs/dbraw/zinc/70/47/79/376704779.db2.gz QNQHXEGVLDFHSJ-UHFFFAOYSA-N 1 2 275.356 0.307 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641084532 376755440 /nfs/dbraw/zinc/75/54/40/376755440.db2.gz MVIVXTFDPGAVPD-CQSZACIVSA-N 1 2 280.372 0.998 20 30 CCEDLO C=CCOCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000656840589 412857892 /nfs/dbraw/zinc/85/78/92/412857892.db2.gz YMLMALPGJHJFCN-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO C=CCOCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000656840589 412857895 /nfs/dbraw/zinc/85/78/95/412857895.db2.gz YMLMALPGJHJFCN-NSHDSACASA-N 1 2 278.312 0.465 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)nc1 ZINC000107534509 284633592 /nfs/dbraw/zinc/63/35/92/284633592.db2.gz JEYRNQFWGNZISV-UHFFFAOYSA-N 1 2 260.297 0.015 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000313650310 249000315 /nfs/dbraw/zinc/00/03/15/249000315.db2.gz ZJTLOJCTQSEQBP-OAHLLOKOSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000313650310 249000317 /nfs/dbraw/zinc/00/03/17/249000317.db2.gz ZJTLOJCTQSEQBP-OAHLLOKOSA-N 1 2 289.335 0.316 20 30 CCEDLO N#Cc1sc(N2CC[NH+](CCO)CC2)nc1Cl ZINC000278657201 194087220 /nfs/dbraw/zinc/08/72/20/194087220.db2.gz ISMGEUTZUILEMV-UHFFFAOYSA-N 1 2 272.761 0.782 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000185523750 388807000 /nfs/dbraw/zinc/80/70/00/388807000.db2.gz BEHQMMFKBTVERM-TZMCWYRMSA-N 1 2 290.319 0.545 20 30 CCEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000185523750 388807002 /nfs/dbraw/zinc/80/70/02/388807002.db2.gz BEHQMMFKBTVERM-TZMCWYRMSA-N 1 2 290.319 0.545 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283928437 388770825 /nfs/dbraw/zinc/77/08/25/388770825.db2.gz GRAKTCOVRPQZHG-VHSXEESVSA-N 1 2 280.328 0.233 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184553646 388775670 /nfs/dbraw/zinc/77/56/70/388775670.db2.gz SBQGKEVLDNYLRP-GHMZBOCLSA-N 1 2 250.298 0.695 20 30 CCEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184553625 388775802 /nfs/dbraw/zinc/77/58/02/388775802.db2.gz SBQGKEVLDNYLRP-WDEREUQCSA-N 1 2 250.298 0.695 20 30 CCEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186325485 388832553 /nfs/dbraw/zinc/83/25/53/388832553.db2.gz YSLNICRJFJTXCD-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186325485 388832555 /nfs/dbraw/zinc/83/25/55/388832555.db2.gz YSLNICRJFJTXCD-AWEZNQCLSA-N 1 2 273.336 0.814 20 30 CCEDLO Cn1cc(-c2cc(CO[NH+]=C(N)CCO)on2)cn1 ZINC000186790046 388852634 /nfs/dbraw/zinc/85/26/34/388852634.db2.gz HMGIYLDCDVFRIF-UHFFFAOYSA-N 1 2 265.273 0.246 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000049000927 388912735 /nfs/dbraw/zinc/91/27/35/388912735.db2.gz PFHHOXPOSFIHRH-QWRGUYRKSA-N 1 2 268.361 0.948 20 30 CCEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000049000927 388912736 /nfs/dbraw/zinc/91/27/36/388912736.db2.gz PFHHOXPOSFIHRH-QWRGUYRKSA-N 1 2 268.361 0.948 20 30 CCEDLO C=C[C@@H](CO)Nc1cc(N[C@@H](C=C)CO)[nH+]cn1 ZINC000291183034 388918200 /nfs/dbraw/zinc/91/82/00/388918200.db2.gz SBPKOMUIEKNRQZ-UWVGGRQHSA-N 1 2 250.302 0.394 20 30 CCEDLO C#CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000061331637 388936572 /nfs/dbraw/zinc/93/65/72/388936572.db2.gz LAZDGVFYVVHTNC-GFCCVEGCSA-N 1 2 288.351 0.739 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064248092 388941764 /nfs/dbraw/zinc/94/17/64/388941764.db2.gz BPLPYGZJAOKFPY-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064248092 388941766 /nfs/dbraw/zinc/94/17/66/388941766.db2.gz BPLPYGZJAOKFPY-UHFFFAOYSA-N 1 2 253.346 0.859 20 30 CCEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1COc2ccccc2O1 ZINC000066472565 388944164 /nfs/dbraw/zinc/94/41/64/388944164.db2.gz DTURQOPDWWVAJR-LLVKDONJSA-N 1 2 275.308 0.398 20 30 CCEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1COc2ccccc2O1 ZINC000066472565 388944166 /nfs/dbraw/zinc/94/41/66/388944166.db2.gz DTURQOPDWWVAJR-LLVKDONJSA-N 1 2 275.308 0.398 20 30 CCEDLO CC[N@H+](CCn1nc2ccccn2c1=O)C[C@@H](C)C#N ZINC000066424075 388944488 /nfs/dbraw/zinc/94/44/88/388944488.db2.gz BDTPNAALEVDKHH-LBPRGKRZSA-N 1 2 273.340 0.978 20 30 CCEDLO CC[N@@H+](CCn1nc2ccccn2c1=O)C[C@@H](C)C#N ZINC000066424075 388944493 /nfs/dbraw/zinc/94/44/93/388944493.db2.gz BDTPNAALEVDKHH-LBPRGKRZSA-N 1 2 273.340 0.978 20 30 CCEDLO N#CCNC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066496552 388945432 /nfs/dbraw/zinc/94/54/32/388945432.db2.gz AOSKJRVQANOIAH-CYBMUJFWSA-N 1 2 277.324 0.900 20 30 CCEDLO N#CCNC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066496552 388945435 /nfs/dbraw/zinc/94/54/35/388945435.db2.gz AOSKJRVQANOIAH-CYBMUJFWSA-N 1 2 277.324 0.900 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000192236002 389029377 /nfs/dbraw/zinc/02/93/77/389029377.db2.gz YOYCANPGRCPDOK-UHFFFAOYSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000192236002 389029381 /nfs/dbraw/zinc/02/93/81/389029381.db2.gz YOYCANPGRCPDOK-UHFFFAOYSA-N 1 2 299.374 0.760 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000298550239 389029872 /nfs/dbraw/zinc/02/98/72/389029872.db2.gz GLPQCENIOQAQAC-UHFFFAOYSA-N 1 2 294.424 0.871 20 30 CCEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092734821 389031420 /nfs/dbraw/zinc/03/14/20/389031420.db2.gz MCVKVHKFEHRRIX-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092734821 389031424 /nfs/dbraw/zinc/03/14/24/389031424.db2.gz MCVKVHKFEHRRIX-CQSZACIVSA-N 1 2 276.336 0.938 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1C#N ZINC000191341811 389010109 /nfs/dbraw/zinc/01/01/09/389010109.db2.gz NHPBNRVSIMHRNV-HNNXBMFYSA-N 1 2 285.351 0.994 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1C#N ZINC000191341811 389010110 /nfs/dbraw/zinc/01/01/10/389010110.db2.gz NHPBNRVSIMHRNV-HNNXBMFYSA-N 1 2 285.351 0.994 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN(CCOCC)CC2)C1=O ZINC000337137956 389047360 /nfs/dbraw/zinc/04/73/60/389047360.db2.gz OOEBZOVJAMMOBI-AWEZNQCLSA-N 1 2 281.400 0.427 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1=O ZINC000337203813 389054494 /nfs/dbraw/zinc/05/44/94/389054494.db2.gz GYWDFSDICUMZAG-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)n(C)n2)C1=O ZINC000337203813 389054496 /nfs/dbraw/zinc/05/44/96/389054496.db2.gz GYWDFSDICUMZAG-ZDUSSCGKSA-N 1 2 262.357 0.947 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)O[C@H](COC)C2)C1=O ZINC000337205493 389055229 /nfs/dbraw/zinc/05/52/29/389055229.db2.gz KSPHFMZGLBUINP-AVGNSLFASA-N 1 2 268.357 0.509 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)O[C@H](COC)C2)C1=O ZINC000337205493 389055232 /nfs/dbraw/zinc/05/52/32/389055232.db2.gz KSPHFMZGLBUINP-AVGNSLFASA-N 1 2 268.357 0.509 20 30 CCEDLO CC(C)(C#N)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355448492 389079274 /nfs/dbraw/zinc/07/92/74/389079274.db2.gz NVAZAQFOEVTKOQ-UHFFFAOYSA-N 1 2 280.372 0.700 20 30 CCEDLO Cn1cc(C[N@H+](CC#N)C2CCCC2)c(=O)n(C)c1=O ZINC000093563374 389036801 /nfs/dbraw/zinc/03/68/01/389036801.db2.gz FFAUIMMRCMTNRK-UHFFFAOYSA-N 1 2 276.340 0.352 20 30 CCEDLO Cn1cc(C[N@@H+](CC#N)C2CCCC2)c(=O)n(C)c1=O ZINC000093563374 389036805 /nfs/dbraw/zinc/03/68/05/389036805.db2.gz FFAUIMMRCMTNRK-UHFFFAOYSA-N 1 2 276.340 0.352 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355118846 389042110 /nfs/dbraw/zinc/04/21/10/389042110.db2.gz BYEHNPVLRICZFP-AAEUAGOBSA-N 1 2 275.356 0.966 20 30 CCEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355118846 389042115 /nfs/dbraw/zinc/04/21/15/389042115.db2.gz BYEHNPVLRICZFP-AAEUAGOBSA-N 1 2 275.356 0.966 20 30 CCEDLO C=CCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000120799071 389145431 /nfs/dbraw/zinc/14/54/31/389145431.db2.gz BKPUFVMERPKNRR-LBPRGKRZSA-N 1 2 276.402 0.450 20 30 CCEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000225802552 389146361 /nfs/dbraw/zinc/14/63/61/389146361.db2.gz SFICXMSAIPHLDM-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000225802552 389146363 /nfs/dbraw/zinc/14/63/63/389146363.db2.gz SFICXMSAIPHLDM-NSHDSACASA-N 1 2 279.365 0.883 20 30 CCEDLO CC#CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355585867 389097415 /nfs/dbraw/zinc/09/74/15/389097415.db2.gz HUEIJXXONWTXNK-ZDUSSCGKSA-N 1 2 290.367 0.623 20 30 CCEDLO CC#CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355585867 389097416 /nfs/dbraw/zinc/09/74/16/389097416.db2.gz HUEIJXXONWTXNK-ZDUSSCGKSA-N 1 2 290.367 0.623 20 30 CCEDLO C=CCOCCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000339015669 389121211 /nfs/dbraw/zinc/12/12/11/389121211.db2.gz WKFMGKGDIQTZEG-HNNXBMFYSA-N 1 2 295.427 0.818 20 30 CCEDLO C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)[NH+]1C ZINC000339071252 389123963 /nfs/dbraw/zinc/12/39/63/389123963.db2.gz CAVHLMUHHNSFFR-QWRGUYRKSA-N 1 2 259.375 0.644 20 30 CCEDLO N#CCCOCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000339098365 389125486 /nfs/dbraw/zinc/12/54/86/389125486.db2.gz XYIRXQLYMIBIMT-LBPRGKRZSA-N 1 2 252.314 0.597 20 30 CCEDLO N#CCCOCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000339098365 389125489 /nfs/dbraw/zinc/12/54/89/389125489.db2.gz XYIRXQLYMIBIMT-LBPRGKRZSA-N 1 2 252.314 0.597 20 30 CCEDLO N#CCCOCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000339192519 389128117 /nfs/dbraw/zinc/12/81/17/389128117.db2.gz REGOGIFOFGWJRJ-QWHCGFSZSA-N 1 2 254.330 0.796 20 30 CCEDLO N#CCCOCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000339192519 389128121 /nfs/dbraw/zinc/12/81/21/389128121.db2.gz REGOGIFOFGWJRJ-QWHCGFSZSA-N 1 2 254.330 0.796 20 30 CCEDLO CC(C)(CNC(=O)NC1CCOCC1)[NH+]1CCOCC1 ZINC000328874819 389142116 /nfs/dbraw/zinc/14/21/16/389142116.db2.gz RUFWTBQXHPIYCB-UHFFFAOYSA-N 1 2 285.388 0.780 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000329668537 389184853 /nfs/dbraw/zinc/18/48/53/389184853.db2.gz RATLCZDIWQVFGI-DZGCQCFKSA-N 1 2 295.383 0.534 20 30 CCEDLO CO[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1OC ZINC000329697006 389188920 /nfs/dbraw/zinc/18/89/20/389188920.db2.gz CCDZHIXGYPDDDT-TVYUQYBPSA-N 1 2 294.355 0.527 20 30 CCEDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329701652 389190015 /nfs/dbraw/zinc/19/00/15/389190015.db2.gz HOBUSIGVDLHXBP-VHSXEESVSA-N 1 2 260.359 0.614 20 30 CCEDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329701652 389190017 /nfs/dbraw/zinc/19/00/17/389190017.db2.gz HOBUSIGVDLHXBP-VHSXEESVSA-N 1 2 260.359 0.614 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](CO)C1 ZINC000329747289 389195999 /nfs/dbraw/zinc/19/59/99/389195999.db2.gz SFPMLRZTYCCZRT-GHMZBOCLSA-N 1 2 278.356 0.885 20 30 CCEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](CO)C1 ZINC000329747289 389196001 /nfs/dbraw/zinc/19/60/01/389196001.db2.gz SFPMLRZTYCCZRT-GHMZBOCLSA-N 1 2 278.356 0.885 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000342157986 389198743 /nfs/dbraw/zinc/19/87/43/389198743.db2.gz HUWANUCQRGCPNE-NWDGAFQWSA-N 1 2 263.341 0.746 20 30 CCEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000342218889 389201357 /nfs/dbraw/zinc/20/13/57/389201357.db2.gz NLYHVZUYJGIWMT-WDEREUQCSA-N 1 2 276.365 0.913 20 30 CCEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342222293 389201455 /nfs/dbraw/zinc/20/14/55/389201455.db2.gz QPHSCADQWFXWCM-JQWIXIFHSA-N 1 2 276.365 0.913 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CC)CCC#N)C1 ZINC000130391882 389204343 /nfs/dbraw/zinc/20/43/43/389204343.db2.gz MKZOFQVZTPZJOB-CYBMUJFWSA-N 1 2 294.399 0.739 20 30 CCEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CC)CCC#N)C1 ZINC000130391882 389204349 /nfs/dbraw/zinc/20/43/49/389204349.db2.gz MKZOFQVZTPZJOB-CYBMUJFWSA-N 1 2 294.399 0.739 20 30 CCEDLO C=C(C)CN(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000124863208 389162474 /nfs/dbraw/zinc/16/24/74/389162474.db2.gz MIYOYUXWEHYRMN-UHFFFAOYSA-N 1 2 255.362 0.926 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000358979887 389163910 /nfs/dbraw/zinc/16/39/10/389163910.db2.gz PLSSBLHTIIALIY-STQMWFEESA-N 1 2 281.404 0.423 20 30 CCEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1CCC1 ZINC000329456168 389164966 /nfs/dbraw/zinc/16/49/66/389164966.db2.gz QCHBOZNSZHMLSH-SNVBAGLBSA-N 1 2 280.328 0.819 20 30 CCEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1CCC1 ZINC000329456168 389164968 /nfs/dbraw/zinc/16/49/68/389164968.db2.gz QCHBOZNSZHMLSH-SNVBAGLBSA-N 1 2 280.328 0.819 20 30 CCEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCCOC1 ZINC000329542337 389169397 /nfs/dbraw/zinc/16/93/97/389169397.db2.gz DVSURJJTECCNJF-VHSXEESVSA-N 1 2 264.329 0.950 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000247924194 389242842 /nfs/dbraw/zinc/24/28/42/389242842.db2.gz CHXXXTFZXOBSGF-VXGBXAGGSA-N 1 2 283.372 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000247924194 389242843 /nfs/dbraw/zinc/24/28/43/389242843.db2.gz CHXXXTFZXOBSGF-VXGBXAGGSA-N 1 2 283.372 0.888 20 30 CCEDLO C=C(C)COCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000135011881 389251689 /nfs/dbraw/zinc/25/16/89/389251689.db2.gz HAHPXYCFAHUQTN-KBPBESRZSA-N 1 2 299.415 0.988 20 30 CCEDLO C=CCN(CCOC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000361079471 389207686 /nfs/dbraw/zinc/20/76/86/389207686.db2.gz JBXVJWVEUWSCFE-CYBMUJFWSA-N 1 2 269.389 0.283 20 30 CCEDLO C=CCOC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)OC ZINC000361112489 389208745 /nfs/dbraw/zinc/20/87/45/389208745.db2.gz YRISJEXIUXRWMW-UTUOFQBUSA-N 1 2 257.330 0.745 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000245839381 389219044 /nfs/dbraw/zinc/21/90/44/389219044.db2.gz HOVZTPHRTMCORR-ZFWWWQNUSA-N 1 2 277.368 0.906 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC[C@H]1C1CC1)C1CC1 ZINC000245839381 389219048 /nfs/dbraw/zinc/21/90/48/389219048.db2.gz HOVZTPHRTMCORR-ZFWWWQNUSA-N 1 2 277.368 0.906 20 30 CCEDLO C=CC[N@@H+](CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000330365318 389221589 /nfs/dbraw/zinc/22/15/89/389221589.db2.gz KUGYVOKSAIVTDM-CYBMUJFWSA-N 1 2 283.397 0.867 20 30 CCEDLO C=CC[N@H+](CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000330365318 389221591 /nfs/dbraw/zinc/22/15/91/389221591.db2.gz KUGYVOKSAIVTDM-CYBMUJFWSA-N 1 2 283.397 0.867 20 30 CCEDLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCCC#N)CCO2)n1 ZINC000330364935 389221678 /nfs/dbraw/zinc/22/16/78/389221678.db2.gz AOLQFDUGZAPVRA-ZDUSSCGKSA-N 1 2 263.345 0.900 20 30 CCEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCCC#N)CCO2)n1 ZINC000330364935 389221679 /nfs/dbraw/zinc/22/16/79/389221679.db2.gz AOLQFDUGZAPVRA-ZDUSSCGKSA-N 1 2 263.345 0.900 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000330376603 389222495 /nfs/dbraw/zinc/22/24/95/389222495.db2.gz DPUSDBXZHFKJCB-VHSXEESVSA-N 1 2 253.302 0.009 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000330376603 389222496 /nfs/dbraw/zinc/22/24/96/389222496.db2.gz DPUSDBXZHFKJCB-VHSXEESVSA-N 1 2 253.302 0.009 20 30 CCEDLO CC(=O)NCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330399761 389225369 /nfs/dbraw/zinc/22/53/69/389225369.db2.gz NCUZAOBNRJEJLZ-GFCCVEGCSA-N 1 2 293.371 0.709 20 30 CCEDLO CN(C)C(=O)CCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330435921 389228707 /nfs/dbraw/zinc/22/87/07/389228707.db2.gz AUVBCHMSDJYWGV-UHFFFAOYSA-N 1 2 293.371 0.701 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000330530751 389238700 /nfs/dbraw/zinc/23/87/00/389238700.db2.gz RUSHMMFQMYZGCZ-GXFFZTMASA-N 1 2 281.360 0.198 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330530751 389238702 /nfs/dbraw/zinc/23/87/02/389238702.db2.gz RUSHMMFQMYZGCZ-GXFFZTMASA-N 1 2 281.360 0.198 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156223400 389324489 /nfs/dbraw/zinc/32/44/89/389324489.db2.gz NWPMYKLRWABRSQ-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156223400 389324490 /nfs/dbraw/zinc/32/44/90/389324490.db2.gz NWPMYKLRWABRSQ-RYUDHWBXSA-N 1 2 253.346 0.858 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367182515 389325575 /nfs/dbraw/zinc/32/55/75/389325575.db2.gz AYNGGOADCPUIHU-UHFFFAOYSA-N 1 2 281.356 0.643 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367182515 389325579 /nfs/dbraw/zinc/32/55/79/389325579.db2.gz AYNGGOADCPUIHU-UHFFFAOYSA-N 1 2 281.356 0.643 20 30 CCEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C(N)=O)O1 ZINC000156946236 389327657 /nfs/dbraw/zinc/32/76/57/389327657.db2.gz XXIMKJQJVYBTSY-BXUZGUMPSA-N 1 2 276.311 0.752 20 30 CCEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](C(N)=O)O1 ZINC000156946236 389327659 /nfs/dbraw/zinc/32/76/59/389327659.db2.gz XXIMKJQJVYBTSY-BXUZGUMPSA-N 1 2 276.311 0.752 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346458811 389329485 /nfs/dbraw/zinc/32/94/85/389329485.db2.gz PWWAEHIFHJXOQF-NWDGAFQWSA-N 1 2 278.356 0.054 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346458811 389329488 /nfs/dbraw/zinc/32/94/88/389329488.db2.gz PWWAEHIFHJXOQF-NWDGAFQWSA-N 1 2 278.356 0.054 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000346614253 389333752 /nfs/dbraw/zinc/33/37/52/389333752.db2.gz NGBWYVWFXBYGCH-BDAKNGLRSA-N 1 2 293.289 0.792 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000346614253 389333755 /nfs/dbraw/zinc/33/37/55/389333755.db2.gz NGBWYVWFXBYGCH-BDAKNGLRSA-N 1 2 293.289 0.792 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](CO)C2)c1 ZINC000147438307 389273825 /nfs/dbraw/zinc/27/38/25/389273825.db2.gz RWHHQARTMGCWMG-ZDUSSCGKSA-N 1 2 294.376 0.646 20 30 CCEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CO)C2)c1 ZINC000147438307 389273829 /nfs/dbraw/zinc/27/38/29/389273829.db2.gz RWHHQARTMGCWMG-ZDUSSCGKSA-N 1 2 294.376 0.646 20 30 CCEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720898 389283736 /nfs/dbraw/zinc/28/37/36/389283736.db2.gz HJDZNIZEUCMIKA-VHSXEESVSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000344720898 389283738 /nfs/dbraw/zinc/28/37/38/389283738.db2.gz HJDZNIZEUCMIKA-VHSXEESVSA-N 1 2 283.353 0.864 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152339068 389288523 /nfs/dbraw/zinc/28/85/23/389288523.db2.gz AJGNOEJPLHKKCG-UONOGXRCSA-N 1 2 295.383 0.628 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152339068 389288524 /nfs/dbraw/zinc/28/85/24/389288524.db2.gz AJGNOEJPLHKKCG-UONOGXRCSA-N 1 2 295.383 0.628 20 30 CCEDLO CC(C)(C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366088588 389292483 /nfs/dbraw/zinc/29/24/83/389292483.db2.gz SIEVMWBAERWZSL-LLVKDONJSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366569894 389305671 /nfs/dbraw/zinc/30/56/71/389305671.db2.gz IIFNCASOCVQBRA-IPYPFGDCSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366569894 389305672 /nfs/dbraw/zinc/30/56/72/389305672.db2.gz IIFNCASOCVQBRA-IPYPFGDCSA-N 1 2 295.383 0.627 20 30 CCEDLO NC(=O)[C@@]1(O)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000348199025 389370531 /nfs/dbraw/zinc/37/05/31/389370531.db2.gz BUEKGPDVMKNKNH-CQSZACIVSA-N 1 2 278.739 0.614 20 30 CCEDLO NC(=O)[C@@]1(O)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000348199025 389370534 /nfs/dbraw/zinc/37/05/34/389370534.db2.gz BUEKGPDVMKNKNH-CQSZACIVSA-N 1 2 278.739 0.614 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000333213373 389406648 /nfs/dbraw/zinc/40/66/48/389406648.db2.gz UKLAXKOVJFJYEZ-NDBYEHHHSA-N 1 2 281.356 0.054 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000333213373 389406652 /nfs/dbraw/zinc/40/66/52/389406652.db2.gz UKLAXKOVJFJYEZ-NDBYEHHHSA-N 1 2 281.356 0.054 20 30 CCEDLO COC(=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000408384119 389344687 /nfs/dbraw/zinc/34/46/87/389344687.db2.gz YIFYHHARAGLZAP-QJPTWQEYSA-N 1 2 252.314 0.943 20 30 CCEDLO COC(=O)C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000408384119 389344690 /nfs/dbraw/zinc/34/46/90/389344690.db2.gz YIFYHHARAGLZAP-QJPTWQEYSA-N 1 2 252.314 0.943 20 30 CCEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CCCC#N ZINC000264737940 389351963 /nfs/dbraw/zinc/35/19/63/389351963.db2.gz JIFJOXSQXRHELJ-SNVBAGLBSA-N 1 2 256.331 0.495 20 30 CCEDLO Cn1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C#N ZINC000421363571 389360479 /nfs/dbraw/zinc/36/04/79/389360479.db2.gz QCMXTVXNOHHJIM-ZDUSSCGKSA-N 1 2 263.341 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C#N ZINC000421363571 389360482 /nfs/dbraw/zinc/36/04/82/389360482.db2.gz QCMXTVXNOHHJIM-ZDUSSCGKSA-N 1 2 263.341 0.868 20 30 CCEDLO C=CCOCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000348024731 389362277 /nfs/dbraw/zinc/36/22/77/389362277.db2.gz ABAZYQGPYLTWIF-UHFFFAOYSA-N 1 2 278.356 0.661 20 30 CCEDLO C=CCOCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000348024731 389362281 /nfs/dbraw/zinc/36/22/81/389362281.db2.gz ABAZYQGPYLTWIF-UHFFFAOYSA-N 1 2 278.356 0.661 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412080501 389474457 /nfs/dbraw/zinc/47/44/57/389474457.db2.gz RBHZFHAOHJGGPT-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412080501 389474461 /nfs/dbraw/zinc/47/44/61/389474461.db2.gz RBHZFHAOHJGGPT-CHWSQXEVSA-N 1 2 270.373 0.493 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C#N)CC1 ZINC000171587193 389477539 /nfs/dbraw/zinc/47/75/39/389477539.db2.gz SHVNMTIBPQCHGS-GFCCVEGCSA-N 1 2 280.372 0.652 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120608 389444526 /nfs/dbraw/zinc/44/45/26/389444526.db2.gz OXBZBLOQUWZRCQ-OLZOCXBDSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120608 389444527 /nfs/dbraw/zinc/44/45/27/389444527.db2.gz OXBZBLOQUWZRCQ-OLZOCXBDSA-N 1 2 270.373 0.803 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000350705026 389535166 /nfs/dbraw/zinc/53/51/66/389535166.db2.gz WUQZJHIXIILWHA-JTQLQIEISA-N 1 2 296.396 0.852 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000350705026 389535170 /nfs/dbraw/zinc/53/51/70/389535170.db2.gz WUQZJHIXIILWHA-JTQLQIEISA-N 1 2 296.396 0.852 20 30 CCEDLO C=CCCN(C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000277693154 389557723 /nfs/dbraw/zinc/55/77/23/389557723.db2.gz FYVHARUPSAUXNL-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO C=CCCN(C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000277693154 389557726 /nfs/dbraw/zinc/55/77/26/389557726.db2.gz FYVHARUPSAUXNL-UHFFFAOYSA-N 1 2 275.356 0.767 20 30 CCEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CC(N)=O)CC1 ZINC000178674322 389613933 /nfs/dbraw/zinc/61/39/33/389613933.db2.gz BUOPSEGOVUTVQD-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(N)=O)CC1 ZINC000178674322 389613936 /nfs/dbraw/zinc/61/39/36/389613936.db2.gz BUOPSEGOVUTVQD-UHFFFAOYSA-N 1 2 288.351 0.170 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000281330608 389614642 /nfs/dbraw/zinc/61/46/42/389614642.db2.gz LWTBSEKRBLQTFW-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000281330608 389614646 /nfs/dbraw/zinc/61/46/46/389614646.db2.gz LWTBSEKRBLQTFW-QWHCGFSZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC2CC2)C1=O ZINC000281449069 389616119 /nfs/dbraw/zinc/61/61/19/389616119.db2.gz UNHFCIKKHKYXMY-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC2CC2)C1=O ZINC000281449069 389616124 /nfs/dbraw/zinc/61/61/24/389616124.db2.gz UNHFCIKKHKYXMY-LBPRGKRZSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)nn1 ZINC000424637327 389627543 /nfs/dbraw/zinc/62/75/43/389627543.db2.gz CMTKEFUJSDFCTB-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nn1 ZINC000424637327 389627548 /nfs/dbraw/zinc/62/75/48/389627548.db2.gz CMTKEFUJSDFCTB-GFCCVEGCSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCOCC1 ZINC000424741443 389630401 /nfs/dbraw/zinc/63/04/01/389630401.db2.gz UCXCDHWGUMMZCH-CQSZACIVSA-N 1 2 293.411 0.475 20 30 CCEDLO C[C@@H](CCC#N)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000351614953 389634522 /nfs/dbraw/zinc/63/45/22/389634522.db2.gz JLXTZTJPIUNTOL-AWEZNQCLSA-N 1 2 278.400 0.919 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCNC(=O)[C@H]2C(C)C)C1=O ZINC000281927886 389635955 /nfs/dbraw/zinc/63/59/55/389635955.db2.gz HUBOBNONGVDBFG-NWDGAFQWSA-N 1 2 265.357 0.230 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCNC(=O)[C@H]2C(C)C)C1=O ZINC000281927886 389635960 /nfs/dbraw/zinc/63/59/60/389635960.db2.gz HUBOBNONGVDBFG-NWDGAFQWSA-N 1 2 265.357 0.230 20 30 CCEDLO N#C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000177754323 389591038 /nfs/dbraw/zinc/59/10/38/389591038.db2.gz PEHRHFZDDZECFQ-GFCCVEGCSA-N 1 2 285.307 0.768 20 30 CCEDLO C=CCC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000351507168 389599086 /nfs/dbraw/zinc/59/90/86/389599086.db2.gz YCDMTYCOZVFDOE-ZDUSSCGKSA-N 1 2 282.384 0.542 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000375850240 389719967 /nfs/dbraw/zinc/71/99/67/389719967.db2.gz RMLVQRPEKPGEFN-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000375850240 389719970 /nfs/dbraw/zinc/71/99/70/389719970.db2.gz RMLVQRPEKPGEFN-GFCCVEGCSA-N 1 2 292.383 0.539 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)CC)C1=O ZINC000282035379 389649150 /nfs/dbraw/zinc/64/91/50/389649150.db2.gz QKDPIGHDXCLZHO-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)CC)C1=O ZINC000282035379 389649152 /nfs/dbraw/zinc/64/91/52/389649152.db2.gz QKDPIGHDXCLZHO-LBPRGKRZSA-N 1 2 267.373 0.574 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCC2)C1=O ZINC000282060444 389652339 /nfs/dbraw/zinc/65/23/39/389652339.db2.gz SAYQZNHQZZXAPK-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCC2)C1=O ZINC000282060444 389652342 /nfs/dbraw/zinc/65/23/42/389652342.db2.gz SAYQZNHQZZXAPK-LBPRGKRZSA-N 1 2 265.357 0.328 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000375922442 389725773 /nfs/dbraw/zinc/72/57/73/389725773.db2.gz VQLLLQRYVHWIJO-VNHYZAJKSA-N 1 2 295.383 0.627 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000351804355 389686462 /nfs/dbraw/zinc/68/64/62/389686462.db2.gz AFIVEKJMBWGPEK-RISCZKNCSA-N 1 2 294.376 0.645 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000351804355 389686464 /nfs/dbraw/zinc/68/64/64/389686464.db2.gz AFIVEKJMBWGPEK-RISCZKNCSA-N 1 2 294.376 0.645 20 30 CCEDLO C=CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000351804270 389686580 /nfs/dbraw/zinc/68/65/80/389686580.db2.gz RRPJUFFWZQLRAY-GFCCVEGCSA-N 1 2 278.356 0.785 20 30 CCEDLO C=CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000351804270 389686582 /nfs/dbraw/zinc/68/65/82/389686582.db2.gz RRPJUFFWZQLRAY-GFCCVEGCSA-N 1 2 278.356 0.785 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000375922442 389725774 /nfs/dbraw/zinc/72/57/74/389725774.db2.gz VQLLLQRYVHWIJO-VNHYZAJKSA-N 1 2 295.383 0.627 20 30 CCEDLO CN(C(=O)C[N@@H+]1CCOC[C@@H](O)C1)C1(C#N)CCCCC1 ZINC000399876051 389795156 /nfs/dbraw/zinc/79/51/56/389795156.db2.gz WESBNIDGJRZZPL-ZDUSSCGKSA-N 1 2 295.383 0.364 20 30 CCEDLO CN(C(=O)C[N@H+]1CCOC[C@@H](O)C1)C1(C#N)CCCCC1 ZINC000399876051 389795159 /nfs/dbraw/zinc/79/51/59/389795159.db2.gz WESBNIDGJRZZPL-ZDUSSCGKSA-N 1 2 295.383 0.364 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC)CC(N)=O ZINC000429175221 389742932 /nfs/dbraw/zinc/74/29/32/389742932.db2.gz ILKVVSXIYGUHQJ-UHFFFAOYSA-N 1 2 253.346 0.384 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC)CC(N)=O ZINC000429175221 389742936 /nfs/dbraw/zinc/74/29/36/389742936.db2.gz ILKVVSXIYGUHQJ-UHFFFAOYSA-N 1 2 253.346 0.384 20 30 CCEDLO N#CCCCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000352471084 389816099 /nfs/dbraw/zinc/81/60/99/389816099.db2.gz PFLYXLOYCPRGOQ-UHFFFAOYSA-N 1 2 277.415 0.258 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188584 389832526 /nfs/dbraw/zinc/83/25/26/389832526.db2.gz HNAUXECMCNLZPW-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(C#N)CCC1 ZINC000408188584 389832532 /nfs/dbraw/zinc/83/25/32/389832532.db2.gz HNAUXECMCNLZPW-UHFFFAOYSA-N 1 2 265.357 0.907 20 30 CCEDLO C=CCCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000353308152 389849045 /nfs/dbraw/zinc/84/90/45/389849045.db2.gz ARFLUXFZKMYTPN-CQSZACIVSA-N 1 2 299.415 0.677 20 30 CCEDLO CCN1CCN(C(=O)CSCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433123498 389899207 /nfs/dbraw/zinc/89/92/07/389899207.db2.gz VFHMUFVUERFQSF-LLVKDONJSA-N 1 2 293.396 0.872 20 30 CCEDLO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433294196 389907873 /nfs/dbraw/zinc/90/78/73/389907873.db2.gz KGNVSUIGVIEBIJ-MJBXVCDLSA-N 1 2 283.416 0.938 20 30 CCEDLO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433294196 389907874 /nfs/dbraw/zinc/90/78/74/389907874.db2.gz KGNVSUIGVIEBIJ-MJBXVCDLSA-N 1 2 283.416 0.938 20 30 CCEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000433226607 389906487 /nfs/dbraw/zinc/90/64/87/389906487.db2.gz HDQQCOZGNLQTQU-SNVBAGLBSA-N 1 2 280.397 0.939 20 30 CCEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000433226607 389906489 /nfs/dbraw/zinc/90/64/89/389906489.db2.gz HDQQCOZGNLQTQU-SNVBAGLBSA-N 1 2 280.397 0.939 20 30 CCEDLO C=C(C)COCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434284875 389928979 /nfs/dbraw/zinc/92/89/79/389928979.db2.gz CYAHOKUISVRAJK-CQSZACIVSA-N 1 2 299.415 0.941 20 30 CCEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C1=O ZINC000420001173 389941674 /nfs/dbraw/zinc/94/16/74/389941674.db2.gz PLVHRVJBDVIEFL-UPJWGTAASA-N 1 2 295.383 0.982 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1(O)CCC1 ZINC000448835227 389991466 /nfs/dbraw/zinc/99/14/66/389991466.db2.gz JTIZFVLVQJVHTE-UHFFFAOYSA-N 1 2 295.383 0.366 20 30 CCEDLO COCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000448972887 389992376 /nfs/dbraw/zinc/99/23/76/389992376.db2.gz WJVGOVWKKNWXMF-WCQYABFASA-N 1 2 251.330 0.327 20 30 CCEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ncc1C#N ZINC000457531264 390045943 /nfs/dbraw/zinc/04/59/43/390045943.db2.gz GOBKCSRWWBWSTO-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ncc1C#N ZINC000457531264 390045944 /nfs/dbraw/zinc/04/59/44/390045944.db2.gz GOBKCSRWWBWSTO-GFCCVEGCSA-N 1 2 288.351 0.712 20 30 CCEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C#N)s1 ZINC000457136157 390032072 /nfs/dbraw/zinc/03/20/72/390032072.db2.gz UZHLKJAOJMVJTE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C#N)s1 ZINC000457136157 390032073 /nfs/dbraw/zinc/03/20/73/390032073.db2.gz UZHLKJAOJMVJTE-JTQLQIEISA-N 1 2 279.365 0.758 20 30 CCEDLO CCn1nncc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000459398872 390074153 /nfs/dbraw/zinc/07/41/53/390074153.db2.gz IZPLPESEIGJISS-UHFFFAOYSA-N 1 2 297.366 0.887 20 30 CCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000471770933 390079378 /nfs/dbraw/zinc/07/93/78/390079378.db2.gz KWKWIOXXGGTKIA-LBPRGKRZSA-N 1 2 293.367 0.776 20 30 CCEDLO COc1ncc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000493152587 390119802 /nfs/dbraw/zinc/11/98/02/390119802.db2.gz KPHOTEQPIZMGJH-GXMNPTEKSA-N 1 2 289.339 0.458 20 30 CCEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCCN(O)C1=O ZINC000493868124 390130561 /nfs/dbraw/zinc/13/05/61/390130561.db2.gz ICRQBEOUNCJOND-WWQCOOJYSA-N 1 2 278.312 0.413 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)s1 ZINC000540924315 390229023 /nfs/dbraw/zinc/22/90/23/390229023.db2.gz ZSHUZBAZLWNYCH-SNVBAGLBSA-N 1 2 276.321 0.356 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)s1 ZINC000540924315 390229027 /nfs/dbraw/zinc/22/90/27/390229027.db2.gz ZSHUZBAZLWNYCH-SNVBAGLBSA-N 1 2 276.321 0.356 20 30 CCEDLO COC(=O)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)no1 ZINC000582244924 390273517 /nfs/dbraw/zinc/27/35/17/390273517.db2.gz RYFQHFGBPCULIS-GFCCVEGCSA-N 1 2 280.284 0.035 20 30 CCEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)[nH]1 ZINC000592522475 390363361 /nfs/dbraw/zinc/36/33/61/390363361.db2.gz NONHENFXGMEWRX-ZDUSSCGKSA-N 1 2 263.297 0.652 20 30 CCEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)[nH]1 ZINC000592522475 390363362 /nfs/dbraw/zinc/36/33/62/390363362.db2.gz NONHENFXGMEWRX-ZDUSSCGKSA-N 1 2 263.297 0.652 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](OC)C(C)C)c1C#N ZINC000547461495 390375359 /nfs/dbraw/zinc/37/53/59/390375359.db2.gz XPGWNHAUYSRIKJ-GFCCVEGCSA-N 1 2 293.371 0.465 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000645238810 390394445 /nfs/dbraw/zinc/39/44/45/390394445.db2.gz DKYOWADPJHUHAW-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000645238810 390394447 /nfs/dbraw/zinc/39/44/47/390394447.db2.gz DKYOWADPJHUHAW-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000649181634 390511087 /nfs/dbraw/zinc/51/10/87/390511087.db2.gz FNUOVLIZMCVQDH-LBPRGKRZSA-N 1 2 288.338 0.854 20 30 CCEDLO C=CCNC(=O)CNC(=O)[C@H]([NH3+])c1ccccc1OC ZINC000514863876 390471023 /nfs/dbraw/zinc/47/10/23/390471023.db2.gz LBIOBVDJDOPGEO-CYBMUJFWSA-N 1 2 277.324 0.113 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215752 390526876 /nfs/dbraw/zinc/52/68/76/390526876.db2.gz ANBIUTSCCHUOLX-RYUDHWBXSA-N 1 2 263.341 0.746 20 30 CCEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1=O ZINC000527302627 390701089 /nfs/dbraw/zinc/70/10/89/390701089.db2.gz YAWDWEWBPHQCJP-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1=O ZINC000527302627 390701091 /nfs/dbraw/zinc/70/10/91/390701091.db2.gz YAWDWEWBPHQCJP-LBPRGKRZSA-N 1 2 292.383 0.492 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000528621286 390762803 /nfs/dbraw/zinc/76/28/03/390762803.db2.gz NHIFKOBZKUVILE-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO CNC(=O)NC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000528621286 390762805 /nfs/dbraw/zinc/76/28/05/390762805.db2.gz NHIFKOBZKUVILE-NSHDSACASA-N 1 2 268.361 0.556 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000528341585 390738841 /nfs/dbraw/zinc/73/88/41/390738841.db2.gz WSRXDZYKCDBQNC-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(C#N)nc2)CCO1 ZINC000528341585 390738842 /nfs/dbraw/zinc/73/88/42/390738842.db2.gz WSRXDZYKCDBQNC-GFCCVEGCSA-N 1 2 288.351 0.333 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CCCCC1 ZINC000573047773 390819965 /nfs/dbraw/zinc/81/99/65/390819965.db2.gz LVQZDPYNSAUVKO-CHWSQXEVSA-N 1 2 295.383 0.004 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CCCCC1 ZINC000573047773 390819968 /nfs/dbraw/zinc/81/99/68/390819968.db2.gz LVQZDPYNSAUVKO-CHWSQXEVSA-N 1 2 295.383 0.004 20 30 CCEDLO C[C@@H]1C[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC[S@]1=O ZINC000575046833 390832601 /nfs/dbraw/zinc/83/26/01/390832601.db2.gz JHTPPHHSSMYTNR-QZXWKGOOSA-N 1 2 293.396 0.249 20 30 CCEDLO C[C@@H]1C[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC[S@]1=O ZINC000575046833 390832603 /nfs/dbraw/zinc/83/26/03/390832603.db2.gz JHTPPHHSSMYTNR-QZXWKGOOSA-N 1 2 293.396 0.249 20 30 CCEDLO C[N@H+]([C@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936016 390887646 /nfs/dbraw/zinc/88/76/46/390887646.db2.gz XKEACJUBDJAOSX-KBPBESRZSA-N 1 2 298.346 0.484 20 30 CCEDLO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533936016 390887650 /nfs/dbraw/zinc/88/76/50/390887650.db2.gz XKEACJUBDJAOSX-KBPBESRZSA-N 1 2 298.346 0.484 20 30 CCEDLO CC[C@H](OC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534061901 390888227 /nfs/dbraw/zinc/88/82/27/390888227.db2.gz FNKLUUWUJKQJBU-NSHDSACASA-N 1 2 279.344 0.219 20 30 CCEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000332468130 533505087 /nfs/dbraw/zinc/50/50/87/533505087.db2.gz LIEXUMSNRCREGJ-LBPRGKRZSA-N 1 2 293.367 0.681 20 30 CCEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000332468130 533505092 /nfs/dbraw/zinc/50/50/92/533505092.db2.gz LIEXUMSNRCREGJ-LBPRGKRZSA-N 1 2 293.367 0.681 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccnn1C ZINC000091936802 135074588 /nfs/dbraw/zinc/07/45/88/135074588.db2.gz MOFNGXPTPLICMY-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccnn1C ZINC000091936802 135074590 /nfs/dbraw/zinc/07/45/90/135074590.db2.gz MOFNGXPTPLICMY-LBPRGKRZSA-N 1 2 297.366 0.792 20 30 CCEDLO CC[C@H](C)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755499750 581642632 /nfs/dbraw/zinc/64/26/32/581642632.db2.gz SSJZZWFDTNDHGY-NSHDSACASA-N 1 2 272.418 0.815 20 30 CCEDLO N#Cc1ccncc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358666502 144169974 /nfs/dbraw/zinc/16/99/74/144169974.db2.gz PVHNFSDMZMMMPG-UHFFFAOYSA-N 1 2 296.334 0.634 20 30 CCEDLO C=CCCCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651068389 397817321 /nfs/dbraw/zinc/81/73/21/397817321.db2.gz UDROTFIVCGFJHT-UHFFFAOYSA-N 1 2 299.415 0.943 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000548311581 286025546 /nfs/dbraw/zinc/02/55/46/286025546.db2.gz GOATWVBUAALOCZ-LLVKDONJSA-N 1 2 267.292 0.895 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000284667769 196107648 /nfs/dbraw/zinc/10/76/48/196107648.db2.gz MGUWCDGHQTXHNG-QWHCGFSZSA-N 1 2 274.324 0.431 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000284667769 196107649 /nfs/dbraw/zinc/10/76/49/196107649.db2.gz MGUWCDGHQTXHNG-QWHCGFSZSA-N 1 2 274.324 0.431 20 30 CCEDLO CC[C@@H](CC#N)[NH2+]CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000653757962 412343071 /nfs/dbraw/zinc/34/30/71/412343071.db2.gz KHZPJHTXDVNTED-QMMMGPOBSA-N 1 2 293.327 0.016 20 30 CCEDLO C=C[C@H](CO)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661278550 414590172 /nfs/dbraw/zinc/59/01/72/414590172.db2.gz DETMTRBCAAZCEJ-BBBLOLIVSA-N 1 2 250.302 0.735 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661564870 414642691 /nfs/dbraw/zinc/64/26/91/414642691.db2.gz GYSAZBCDYNATAD-GFCCVEGCSA-N 1 2 253.346 0.679 20 30 CCEDLO C=CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000661572177 414645028 /nfs/dbraw/zinc/64/50/28/414645028.db2.gz WMPMZKVWESTGQB-LBPRGKRZSA-N 1 2 294.399 0.557 20 30 CCEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@@H](C)COC ZINC000663638727 415100954 /nfs/dbraw/zinc/10/09/54/415100954.db2.gz QWESJEWILPSHSQ-KBPBESRZSA-N 1 2 299.415 0.940 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664443166 415386365 /nfs/dbraw/zinc/38/63/65/415386365.db2.gz BKEMTKVNBHABFG-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664443166 415386373 /nfs/dbraw/zinc/38/63/73/415386373.db2.gz BKEMTKVNBHABFG-ZIAGYGMSSA-N 1 2 299.415 0.988 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000329983015 228006048 /nfs/dbraw/zinc/00/60/48/228006048.db2.gz PHXULRSQNHVMER-GDPRMGEGSA-N 1 2 295.343 0.368 20 30 CCEDLO Cc1noc([C@H](C)NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000329983015 228006050 /nfs/dbraw/zinc/00/60/50/228006050.db2.gz PHXULRSQNHVMER-GDPRMGEGSA-N 1 2 295.343 0.368 20 30 CCEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330232141 228074649 /nfs/dbraw/zinc/07/46/49/228074649.db2.gz XFTDUANKCOAFQB-SNVBAGLBSA-N 1 2 280.353 0.421 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330334157 228154969 /nfs/dbraw/zinc/15/49/69/228154969.db2.gz QKEFVDGMPSOZGX-UPJWGTAASA-N 1 2 284.404 0.161 20 30 CCEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330334157 228154970 /nfs/dbraw/zinc/15/49/70/228154970.db2.gz QKEFVDGMPSOZGX-UPJWGTAASA-N 1 2 284.404 0.161 20 30 CCEDLO CC(C)(CNC(=O)CN1CC(=O)NC1=O)[NH+]1CCOCC1 ZINC000328639123 545018508 /nfs/dbraw/zinc/01/85/08/545018508.db2.gz DMXWVCWAWLNYIG-UHFFFAOYSA-N 1 2 298.343 0.446 20 30 CCEDLO CCn1cc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cn1 ZINC000329370972 545022313 /nfs/dbraw/zinc/02/23/13/545022313.db2.gz MAFWLRCBLVDKBX-OLZOCXBDSA-N 1 2 293.371 0.332 20 30 CCEDLO CCn1cc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cn1 ZINC000329370972 545022314 /nfs/dbraw/zinc/02/23/14/545022314.db2.gz MAFWLRCBLVDKBX-OLZOCXBDSA-N 1 2 293.371 0.332 20 30 CCEDLO C=CCC(CC=C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339799386 545053946 /nfs/dbraw/zinc/05/39/46/545053946.db2.gz LMWSYFFUHXFQLO-UHFFFAOYSA-N 1 2 296.411 0.908 20 30 CCEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000407951784 260017078 /nfs/dbraw/zinc/01/70/78/260017078.db2.gz DCPWTFBNPXUKEG-LLVKDONJSA-N 1 2 286.401 0.103 20 30 CCEDLO N#CC1(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000408110215 260235939 /nfs/dbraw/zinc/23/59/39/260235939.db2.gz MLZSMDKYGKUHGX-UHFFFAOYSA-N 1 2 290.411 0.920 20 30 CCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000081314792 260332672 /nfs/dbraw/zinc/33/26/72/260332672.db2.gz JODQFTVSNHQSQX-CYBMUJFWSA-N 1 2 275.356 0.575 20 30 CCEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NCc1ccccc1F ZINC000121324137 260709204 /nfs/dbraw/zinc/70/92/04/260709204.db2.gz XEWBTZIFOOKQON-SECBINFHSA-N 1 2 283.303 0.502 20 30 CCEDLO CC#CCC[N@@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000155066715 260758750 /nfs/dbraw/zinc/75/87/50/260758750.db2.gz OTZRMGBMQCXUPC-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO CC#CCC[N@H+](CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000155066715 260758752 /nfs/dbraw/zinc/75/87/52/260758752.db2.gz OTZRMGBMQCXUPC-LBPRGKRZSA-N 1 2 286.397 0.025 20 30 CCEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CCCOC1)C(=O)OC ZINC000361109982 261161568 /nfs/dbraw/zinc/16/15/68/261161568.db2.gz OPXXEDROEBEYKL-RYUDHWBXSA-N 1 2 257.330 0.747 20 30 CCEDLO C[N@H+](CC(=O)NC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007659789 261303001 /nfs/dbraw/zinc/30/30/01/261303001.db2.gz PNPWMFBFVGGOJN-OAHLLOKOSA-N 1 2 294.399 0.641 20 30 CCEDLO C[N@@H+](CC(=O)NC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007659789 261303002 /nfs/dbraw/zinc/30/30/02/261303002.db2.gz PNPWMFBFVGGOJN-OAHLLOKOSA-N 1 2 294.399 0.641 20 30 CCEDLO CCN(C[C@@H](C)C#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000303256153 261357500 /nfs/dbraw/zinc/35/75/00/261357500.db2.gz HHODNEUBJHBHHH-QWHCGFSZSA-N 1 2 255.362 0.161 20 30 CCEDLO C[C@@H](NC(=O)C1(C#N)CCOCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000109143397 261391053 /nfs/dbraw/zinc/39/10/53/261391053.db2.gz MGGBNMRNEGMRHU-CHWSQXEVSA-N 1 2 295.383 0.532 20 30 CCEDLO C#CC[N@@H+](CC)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491783789 262043686 /nfs/dbraw/zinc/04/36/86/262043686.db2.gz RUQLNBXNCJERAV-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO C#CC[N@H+](CC)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491783789 262043689 /nfs/dbraw/zinc/04/36/89/262043689.db2.gz RUQLNBXNCJERAV-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO Cc1nc(N2CCN(C(=O)CSCC#N)CC2)cc[nH+]1 ZINC000185439951 262054506 /nfs/dbraw/zinc/05/45/06/262054506.db2.gz ULHYSZXMPWEANZ-UHFFFAOYSA-N 1 2 291.380 0.690 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000186888536 262115052 /nfs/dbraw/zinc/11/50/52/262115052.db2.gz PKMJDDRFOXSVIS-DOTOQJQBSA-N 1 2 299.374 0.884 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000186888536 262115053 /nfs/dbraw/zinc/11/50/53/262115053.db2.gz PKMJDDRFOXSVIS-DOTOQJQBSA-N 1 2 299.374 0.884 20 30 CCEDLO NC(=[NH+]OCC1OCCO1)c1ccc(F)c(F)c1 ZINC000191991406 262197403 /nfs/dbraw/zinc/19/74/03/262197403.db2.gz AGTGOJBDSIIVIN-UHFFFAOYSA-N 1 2 258.224 0.975 20 30 CCEDLO COC(=O)CN(CC#N)Cc1c[nH+]c2ccccn12 ZINC000160517242 262283273 /nfs/dbraw/zinc/28/32/73/262283273.db2.gz CLWIBQFJDHRKOU-UHFFFAOYSA-N 1 2 258.281 0.833 20 30 CCEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000496713773 262352163 /nfs/dbraw/zinc/35/21/63/262352163.db2.gz GGDSKDIGKWTYRG-NSHDSACASA-N 1 2 294.355 0.321 20 30 CCEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000496713773 262352164 /nfs/dbraw/zinc/35/21/64/262352164.db2.gz GGDSKDIGKWTYRG-NSHDSACASA-N 1 2 294.355 0.321 20 30 CCEDLO C#CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365568137 262370688 /nfs/dbraw/zinc/37/06/88/262370688.db2.gz YKZJULIRNASEJJ-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO C#CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365568137 262370691 /nfs/dbraw/zinc/37/06/91/262370691.db2.gz YKZJULIRNASEJJ-CYBMUJFWSA-N 1 2 250.342 0.769 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000331369004 262392659 /nfs/dbraw/zinc/39/26/59/262392659.db2.gz FNPPUEMHTVKXSU-UHFFFAOYSA-N 1 2 257.359 0.304 20 30 CCEDLO CC(C)NS(=O)(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411686332 262703870 /nfs/dbraw/zinc/70/38/70/262703870.db2.gz CWMBGRVYLUBFJA-LBPRGKRZSA-N 1 2 288.417 0.539 20 30 CCEDLO CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1[nH+]ccn1C ZINC000272574042 263007016 /nfs/dbraw/zinc/00/70/16/263007016.db2.gz NJGBLOMQPBXSEE-CQSZACIVSA-N 1 2 275.356 0.660 20 30 CCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283013501 263080506 /nfs/dbraw/zinc/08/05/06/263080506.db2.gz ZUMKWWPOPAKEDO-QWRGUYRKSA-N 1 2 285.373 0.197 20 30 CCEDLO CO/N=C/C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000283111110 263081352 /nfs/dbraw/zinc/08/13/52/263081352.db2.gz XZMVDZFAQPVOJH-KBVGCWLLSA-N 1 2 297.380 0.870 20 30 CCEDLO CO/N=C/C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000283553677 263083245 /nfs/dbraw/zinc/08/32/45/263083245.db2.gz VFPZKPJXVGIPTG-XNTDXEJSSA-N 1 2 277.324 0.669 20 30 CCEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cnnn1C ZINC000289334412 263109271 /nfs/dbraw/zinc/10/92/71/263109271.db2.gz FBJKECLUOGHRIL-VIFPVBQESA-N 1 2 255.322 0.665 20 30 CCEDLO CO/N=C/C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000289353218 263109436 /nfs/dbraw/zinc/10/94/36/263109436.db2.gz JLGCTMHVAFYXCV-TVNQGELYSA-N 1 2 270.358 0.254 20 30 CCEDLO Cc1ncc(CO)c(/C=N/[C@H](C)C[NH+]2CCOCC2)c1O ZINC000298667982 263223580 /nfs/dbraw/zinc/22/35/80/263223580.db2.gz SKKFIJIKYLYXLA-FNQVVVRFSA-N 1 2 293.367 0.728 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120440272 263284063 /nfs/dbraw/zinc/28/40/63/263284063.db2.gz QRROFZHINHMCGB-UHFFFAOYSA-N 1 2 278.356 0.103 20 30 CCEDLO C[C@H](CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000041830851 263288341 /nfs/dbraw/zinc/28/83/41/263288341.db2.gz VHFIIIKPUGKHTK-SNVBAGLBSA-N 1 2 257.359 0.080 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425294535 263302216 /nfs/dbraw/zinc/30/22/16/263302216.db2.gz NLEQNRVKXHMPAL-OLZOCXBDSA-N 1 2 270.373 0.398 20 30 CCEDLO C=CCC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCCC1 ZINC000425296383 263302734 /nfs/dbraw/zinc/30/27/34/263302734.db2.gz RWLURBHFGNOWDZ-CQSZACIVSA-N 1 2 296.411 0.932 20 30 CCEDLO CC#CCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000341041712 263318790 /nfs/dbraw/zinc/31/87/90/263318790.db2.gz OSUXBEDFTXHWID-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO CC#CCN(C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000341041712 263318791 /nfs/dbraw/zinc/31/87/91/263318791.db2.gz OSUXBEDFTXHWID-AWEZNQCLSA-N 1 2 264.369 0.969 20 30 CCEDLO C=CC[C@H](CO)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000341814492 263351665 /nfs/dbraw/zinc/35/16/65/263351665.db2.gz PKGFXFCODXWWIM-ZDUSSCGKSA-N 1 2 299.415 0.581 20 30 CCEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341981045 263369835 /nfs/dbraw/zinc/36/98/35/263369835.db2.gz DRAGWIXAUGPKQI-UHFFFAOYSA-N 1 2 296.371 0.474 20 30 CCEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC[C@@]1(O)CCOC1 ZINC000328819946 263868122 /nfs/dbraw/zinc/86/81/22/263868122.db2.gz HMCBBVGTOSNBEZ-FZMZJTMJSA-N 1 2 294.355 0.416 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330676813 264014617 /nfs/dbraw/zinc/01/46/17/264014617.db2.gz KOUHAOSDRNAFJI-VXNVDRBHSA-N 1 2 265.235 0.014 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330676813 264014615 /nfs/dbraw/zinc/01/46/15/264014615.db2.gz KOUHAOSDRNAFJI-VXNVDRBHSA-N 1 2 265.235 0.014 20 30 CCEDLO CC(C)OCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330827395 264049178 /nfs/dbraw/zinc/04/91/78/264049178.db2.gz IWOJLOYZOCDZMY-GFCCVEGCSA-N 1 2 272.393 0.161 20 30 CCEDLO CC(C)OCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330827395 264049181 /nfs/dbraw/zinc/04/91/81/264049181.db2.gz IWOJLOYZOCDZMY-GFCCVEGCSA-N 1 2 272.393 0.161 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000330933684 264097502 /nfs/dbraw/zinc/09/75/02/264097502.db2.gz FBQYGDPRYXEPMI-MRVPVSSYSA-N 1 2 269.267 0.773 20 30 CCEDLO C[N@H+]1CCO[C@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000330933684 264097504 /nfs/dbraw/zinc/09/75/04/264097504.db2.gz FBQYGDPRYXEPMI-MRVPVSSYSA-N 1 2 269.267 0.773 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330937298 264082194 /nfs/dbraw/zinc/08/21/94/264082194.db2.gz UHZTYVRBRMBRGH-RYUDHWBXSA-N 1 2 273.377 0.228 20 30 CCEDLO CC(C)[C@H](CCO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330937298 264082195 /nfs/dbraw/zinc/08/21/95/264082195.db2.gz UHZTYVRBRMBRGH-RYUDHWBXSA-N 1 2 273.377 0.228 20 30 CCEDLO C[C@]1(CO)CCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000330924554 264094418 /nfs/dbraw/zinc/09/44/18/264094418.db2.gz URJPGGYQMVPAEW-TZMCWYRMSA-N 1 2 285.388 0.373 20 30 CCEDLO C[C@H](C#N)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000330973798 264100884 /nfs/dbraw/zinc/10/08/84/264100884.db2.gz OPUREXICJILLDI-GFCCVEGCSA-N 1 2 273.340 0.232 20 30 CCEDLO C[C@H]1CN(c2ccc(CNC(=O)CC#N)c[nH+]2)CCO1 ZINC000331066913 264112240 /nfs/dbraw/zinc/11/22/40/264112240.db2.gz QMNZXTKGMSGEIZ-NSHDSACASA-N 1 2 274.324 0.837 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000331131628 264149091 /nfs/dbraw/zinc/14/90/91/264149091.db2.gz GUNSKOCQQSDHOF-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000331131628 264149093 /nfs/dbraw/zinc/14/90/93/264149093.db2.gz GUNSKOCQQSDHOF-QWHCGFSZSA-N 1 2 270.373 0.493 20 30 CCEDLO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(C)o1 ZINC000331178004 264153830 /nfs/dbraw/zinc/15/38/30/264153830.db2.gz GAOBCJFXIHKQPM-NSHDSACASA-N 1 2 283.328 0.289 20 30 CCEDLO COC(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c[nH]1 ZINC000331188849 264157077 /nfs/dbraw/zinc/15/70/77/264157077.db2.gz KKVXDSCKITWNTM-SNVBAGLBSA-N 1 2 281.312 0.437 20 30 CCEDLO COC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c[nH]1 ZINC000331188849 264157079 /nfs/dbraw/zinc/15/70/79/264157079.db2.gz KKVXDSCKITWNTM-SNVBAGLBSA-N 1 2 281.312 0.437 20 30 CCEDLO CC[N@H+](CCN1C(=O)N[C@H](C)C1=O)C[C@@H](C)C#N ZINC000331321657 264189501 /nfs/dbraw/zinc/18/95/01/264189501.db2.gz FHMHSRJOYMYLTH-VHSXEESVSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C[C@@H](C)C#N ZINC000331321657 264189503 /nfs/dbraw/zinc/18/95/03/264189503.db2.gz FHMHSRJOYMYLTH-VHSXEESVSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@H+](CCN1C(=O)N[C@H](C)C1=O)C[C@H](C)C#N ZINC000331321654 264189756 /nfs/dbraw/zinc/18/97/56/264189756.db2.gz FHMHSRJOYMYLTH-NXEZZACHSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C[C@H](C)C#N ZINC000331321654 264189758 /nfs/dbraw/zinc/18/97/58/264189758.db2.gz FHMHSRJOYMYLTH-NXEZZACHSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)C[C@@H](C)C#N ZINC000331321655 264189797 /nfs/dbraw/zinc/18/97/97/264189797.db2.gz FHMHSRJOYMYLTH-UWVGGRQHSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C[C@@H](C)C#N ZINC000331321655 264189798 /nfs/dbraw/zinc/18/97/98/264189798.db2.gz FHMHSRJOYMYLTH-UWVGGRQHSA-N 1 2 252.318 0.613 20 30 CCEDLO CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000331292094 264197026 /nfs/dbraw/zinc/19/70/26/264197026.db2.gz KWALNDIQQOHZBI-VIFPVBQESA-N 1 2 284.360 0.026 20 30 CCEDLO CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCNC1=O ZINC000331292094 264197029 /nfs/dbraw/zinc/19/70/29/264197029.db2.gz KWALNDIQQOHZBI-VIFPVBQESA-N 1 2 284.360 0.026 20 30 CCEDLO CO[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000425422433 264313075 /nfs/dbraw/zinc/31/30/75/264313075.db2.gz NJMIVRJCFNJNCW-HNNXBMFYSA-N 1 2 281.400 0.959 20 30 CCEDLO CO[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000425422433 264313076 /nfs/dbraw/zinc/31/30/76/264313076.db2.gz NJMIVRJCFNJNCW-HNNXBMFYSA-N 1 2 281.400 0.959 20 30 CCEDLO CO[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000425422433 264313077 /nfs/dbraw/zinc/31/30/77/264313077.db2.gz NJMIVRJCFNJNCW-HNNXBMFYSA-N 1 2 281.400 0.959 20 30 CCEDLO C=CCn1cc(CNC(=O)CCn2cc[nH+]c2)nn1 ZINC000424909562 264374936 /nfs/dbraw/zinc/37/49/36/264374936.db2.gz UQEHZVOUAKEDLG-UHFFFAOYSA-N 1 2 260.301 0.367 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132259336 264385745 /nfs/dbraw/zinc/38/57/45/264385745.db2.gz VWADQQBUNWCGDQ-KBPBESRZSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132259336 264385748 /nfs/dbraw/zinc/38/57/48/264385748.db2.gz VWADQQBUNWCGDQ-KBPBESRZSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132418127 264388715 /nfs/dbraw/zinc/38/87/15/264388715.db2.gz YSGPWLFIKHQCDU-NSHDSACASA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132418127 264388717 /nfs/dbraw/zinc/38/87/17/264388717.db2.gz YSGPWLFIKHQCDU-NSHDSACASA-N 1 2 276.340 0.914 20 30 CCEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000132516388 264393817 /nfs/dbraw/zinc/39/38/17/264393817.db2.gz CCDSLUCSMUFYQX-UHFFFAOYSA-N 1 2 281.381 0.964 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C)C2)C1=O ZINC000281266187 264480999 /nfs/dbraw/zinc/48/09/99/264480999.db2.gz HTYKGAYLMCVCCH-KBPBESRZSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C)C2)C1=O ZINC000281266187 264481002 /nfs/dbraw/zinc/48/10/02/264481002.db2.gz HTYKGAYLMCVCCH-KBPBESRZSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[C@H](CO)Nc1nc(C)[nH+]c(N[C@@H](CO)CC=C)n1 ZINC000358514944 266472930 /nfs/dbraw/zinc/47/29/30/266472930.db2.gz ALHPBIXWJRZWTM-VXGBXAGGSA-N 1 2 293.371 0.300 20 30 CCEDLO C=C[C@@H](CO)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000358559701 266476709 /nfs/dbraw/zinc/47/67/09/266476709.db2.gz QGWQWEDZIFKDEZ-NSHDSACASA-N 1 2 278.356 0.608 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C#N ZINC000362734645 267040711 /nfs/dbraw/zinc/04/07/11/267040711.db2.gz NNWHEGGICVGCSR-ZYHUDNBSSA-N 1 2 291.355 0.511 20 30 CCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C#N ZINC000362734645 267040712 /nfs/dbraw/zinc/04/07/12/267040712.db2.gz NNWHEGGICVGCSR-ZYHUDNBSSA-N 1 2 291.355 0.511 20 30 CCEDLO Cc1cc(NCCNc2ccnc(C#N)n2)nc(C(C)C)[nH+]1 ZINC000528156938 267948894 /nfs/dbraw/zinc/94/88/94/267948894.db2.gz NWWMGNSPOVAHDM-UHFFFAOYSA-N 1 2 297.366 0.938 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)OCC ZINC000733137293 581867032 /nfs/dbraw/zinc/86/70/32/581867032.db2.gz GWLGAEDATRYNFQ-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)OCC ZINC000733137293 581867034 /nfs/dbraw/zinc/86/70/34/581867034.db2.gz GWLGAEDATRYNFQ-MNOVXSKESA-N 1 2 252.314 0.152 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ncn1 ZINC000329425231 277382711 /nfs/dbraw/zinc/38/27/11/277382711.db2.gz FVWMCCYCOGZPAP-UWVGGRQHSA-N 1 2 293.327 0.046 20 30 CCEDLO COc1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ncn1 ZINC000329425231 277382712 /nfs/dbraw/zinc/38/27/12/277382712.db2.gz FVWMCCYCOGZPAP-UWVGGRQHSA-N 1 2 293.327 0.046 20 30 CCEDLO C[C@@H](C#N)S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000332670747 277537599 /nfs/dbraw/zinc/53/75/99/277537599.db2.gz HTFMLBJDFBNWBJ-VIFPVBQESA-N 1 2 266.326 0.580 20 30 CCEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000299313033 277683124 /nfs/dbraw/zinc/68/31/24/277683124.db2.gz OXSPEKIKFAVPMI-VIFPVBQESA-N 1 2 289.257 0.331 20 30 CCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352449800 279587759 /nfs/dbraw/zinc/58/77/59/279587759.db2.gz OTKRWOHNWPVBFT-JTQLQIEISA-N 1 2 284.335 0.937 20 30 CCEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000330225744 295387981 /nfs/dbraw/zinc/38/79/81/295387981.db2.gz UBVQKKZGXVKQGU-JTQLQIEISA-N 1 2 250.302 0.444 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366590102 328237793 /nfs/dbraw/zinc/23/77/93/328237793.db2.gz LAHALISJEXCUFO-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366590102 328237794 /nfs/dbraw/zinc/23/77/94/328237794.db2.gz LAHALISJEXCUFO-JSGCOSHPSA-N 1 2 268.357 0.559 20 30 CCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415193378 328388502 /nfs/dbraw/zinc/38/85/02/328388502.db2.gz WPENGVKXFDBQGV-NSHDSACASA-N 1 2 274.324 1.000 20 30 CCEDLO Cc1nn(C)cc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000584121115 327044184 /nfs/dbraw/zinc/04/41/84/327044184.db2.gz ARRIVQNBJFNLAW-UHFFFAOYSA-N 1 2 261.329 0.286 20 30 CCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000558685506 327114132 /nfs/dbraw/zinc/11/41/32/327114132.db2.gz PWHHEZXRVAAGGA-JTQLQIEISA-N 1 2 283.357 0.219 20 30 CCEDLO Cc1c[nH+]c2cc(C(=O)N3CC(O)(CC#N)C3)ccn12 ZINC000574462294 327336769 /nfs/dbraw/zinc/33/67/69/327336769.db2.gz FEQKJSUZTUKQCB-UHFFFAOYSA-N 1 2 270.292 0.743 20 30 CCEDLO C#CCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377341822 329011831 /nfs/dbraw/zinc/01/18/31/329011831.db2.gz FUMZXIIWFJSHER-SNVBAGLBSA-N 1 2 253.327 0.900 20 30 CCEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)C#N)CC1 ZINC000377754707 329028057 /nfs/dbraw/zinc/02/80/57/329028057.db2.gz WLNLSLYZMSJDMK-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO CNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)C#N)CC1 ZINC000377754707 329028058 /nfs/dbraw/zinc/02/80/58/329028058.db2.gz WLNLSLYZMSJDMK-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C#CCSCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378106536 329040156 /nfs/dbraw/zinc/04/01/56/329040156.db2.gz ZYZHMQJVWBCLIS-JTQLQIEISA-N 1 2 278.381 0.933 20 30 CCEDLO C#CCSCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378106536 329040157 /nfs/dbraw/zinc/04/01/57/329040157.db2.gz ZYZHMQJVWBCLIS-JTQLQIEISA-N 1 2 278.381 0.933 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141519 329266574 /nfs/dbraw/zinc/26/65/74/329266574.db2.gz SQKUGJOVYUKEFT-GXTWGEPZSA-N 1 2 281.356 0.238 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185141519 329266575 /nfs/dbraw/zinc/26/65/75/329266575.db2.gz SQKUGJOVYUKEFT-GXTWGEPZSA-N 1 2 281.356 0.238 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188784285 329372364 /nfs/dbraw/zinc/37/23/64/329372364.db2.gz IDLOLQLMYGOLFN-ZYHUDNBSSA-N 1 2 251.330 0.658 20 30 CCEDLO C[C@H](C#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188784285 329372365 /nfs/dbraw/zinc/37/23/65/329372365.db2.gz IDLOLQLMYGOLFN-ZYHUDNBSSA-N 1 2 251.330 0.658 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189306519 329379753 /nfs/dbraw/zinc/37/97/53/329379753.db2.gz FWHQJAHJXIVMFA-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189306519 329379755 /nfs/dbraw/zinc/37/97/55/329379755.db2.gz FWHQJAHJXIVMFA-RYUDHWBXSA-N 1 2 280.372 0.205 20 30 CCEDLO CCC[N@H+](CC(=O)NCC#N)[C@H](CC)C(=O)OCC ZINC000190349126 329395215 /nfs/dbraw/zinc/39/52/15/329395215.db2.gz SBKGAAUGVFXKEC-LLVKDONJSA-N 1 2 269.345 0.680 20 30 CCEDLO CCC[N@@H+](CC(=O)NCC#N)[C@H](CC)C(=O)OCC ZINC000190349126 329395216 /nfs/dbraw/zinc/39/52/16/329395216.db2.gz SBKGAAUGVFXKEC-LLVKDONJSA-N 1 2 269.345 0.680 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000584413992 329462283 /nfs/dbraw/zinc/46/22/83/329462283.db2.gz FKPXZSXFLORWIM-AWEZNQCLSA-N 1 2 299.338 0.236 20 30 CCEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000583761239 329475199 /nfs/dbraw/zinc/47/51/99/329475199.db2.gz LBQMJUWPIFYPHB-CMPLNLGQSA-N 1 2 261.329 0.807 20 30 CCEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000583761241 329475272 /nfs/dbraw/zinc/47/52/72/329475272.db2.gz LBQMJUWPIFYPHB-PWSUYJOCSA-N 1 2 261.329 0.807 20 30 CCEDLO N#CCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686973 329968611 /nfs/dbraw/zinc/96/86/11/329968611.db2.gz RVSQIBUHRYQMPM-UHFFFAOYSA-N 1 2 250.346 0.838 20 30 CCEDLO CCn1cc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527128220 330225061 /nfs/dbraw/zinc/22/50/61/330225061.db2.gz VDLGLHFFCRCZOR-UHFFFAOYSA-N 1 2 275.356 0.897 20 30 CCEDLO CCn1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527128220 330225062 /nfs/dbraw/zinc/22/50/62/330225062.db2.gz VDLGLHFFCRCZOR-UHFFFAOYSA-N 1 2 275.356 0.897 20 30 CCEDLO C=CCn1cc(C[NH2+]Cc2cnc(N(C)C)nc2)nn1 ZINC000424174235 330314355 /nfs/dbraw/zinc/31/43/55/330314355.db2.gz RJVAZNBARJETBS-UHFFFAOYSA-N 1 2 273.344 0.610 20 30 CCEDLO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)C1COC1 ZINC000451118502 331016453 /nfs/dbraw/zinc/01/64/53/331016453.db2.gz ADCUQHNJAHKCNQ-UHFFFAOYSA-N 1 2 278.356 0.752 20 30 CCEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C1COC1 ZINC000451118502 331016454 /nfs/dbraw/zinc/01/64/54/331016454.db2.gz ADCUQHNJAHKCNQ-UHFFFAOYSA-N 1 2 278.356 0.752 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453585315 331134990 /nfs/dbraw/zinc/13/49/90/331134990.db2.gz NZIWAOKRDGUJJL-UHFFFAOYSA-N 1 2 286.335 0.465 20 30 CCEDLO CC#CCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458802616 331260198 /nfs/dbraw/zinc/26/01/98/331260198.db2.gz VSLSQEUZUZWUIG-CYBMUJFWSA-N 1 2 265.357 0.514 20 30 CCEDLO CC#CCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458802616 331260199 /nfs/dbraw/zinc/26/01/99/331260199.db2.gz VSLSQEUZUZWUIG-CYBMUJFWSA-N 1 2 265.357 0.514 20 30 CCEDLO OC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000459698187 331294997 /nfs/dbraw/zinc/29/49/97/331294997.db2.gz MWGYIFIEIWOPQG-OCCSQVGLSA-N 1 2 265.740 0.977 20 30 CCEDLO OC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1O ZINC000459698187 331294998 /nfs/dbraw/zinc/29/49/98/331294998.db2.gz MWGYIFIEIWOPQG-OCCSQVGLSA-N 1 2 265.740 0.977 20 30 CCEDLO C#CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000490593963 332094045 /nfs/dbraw/zinc/09/40/45/332094045.db2.gz HXLJEGJLSJOEOX-UHFFFAOYSA-N 1 2 255.281 0.758 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)CN(CC)CC(F)(F)F)CC1 ZINC000490850637 332120285 /nfs/dbraw/zinc/12/02/85/332120285.db2.gz BVPWQNDPYHPTFS-UHFFFAOYSA-N 1 2 291.317 0.648 20 30 CCEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000490987279 332136629 /nfs/dbraw/zinc/13/66/29/332136629.db2.gz YRFFGROEGRNCMJ-SECBINFHSA-N 1 2 255.318 0.438 20 30 CCEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)OC)CC2)C1=O ZINC000491301594 332185359 /nfs/dbraw/zinc/18/53/59/332185359.db2.gz GHZSKFYRPBHKCU-LLVKDONJSA-N 1 2 267.329 0.157 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC)CC1 ZINC000491382995 332201411 /nfs/dbraw/zinc/20/14/11/332201411.db2.gz KFJXPWSZZPGSBZ-ZDUSSCGKSA-N 1 2 289.383 0.557 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C2CC2)CC1 ZINC000491486948 332221224 /nfs/dbraw/zinc/22/12/24/332221224.db2.gz ZKUJBINRNQCWTN-UHFFFAOYSA-N 1 2 289.383 0.905 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000491507529 332225586 /nfs/dbraw/zinc/22/55/86/332225586.db2.gz VTBCNWFBUWOEND-VIFPVBQESA-N 1 2 295.364 0.751 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000491507529 332225588 /nfs/dbraw/zinc/22/55/88/332225588.db2.gz VTBCNWFBUWOEND-VIFPVBQESA-N 1 2 295.364 0.751 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000491525215 332230125 /nfs/dbraw/zinc/23/01/25/332230125.db2.gz QUJGQOYPKZFYOY-FZMZJTMJSA-N 1 2 266.341 0.699 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000491525215 332230126 /nfs/dbraw/zinc/23/01/26/332230126.db2.gz QUJGQOYPKZFYOY-FZMZJTMJSA-N 1 2 266.341 0.699 20 30 CCEDLO C#CCN1CCN(C(=O)COc2cc[nH+]cc2)CC1 ZINC000491567305 332239416 /nfs/dbraw/zinc/23/94/16/332239416.db2.gz KGNGJHMVEFBWFO-UHFFFAOYSA-N 1 2 259.309 0.238 20 30 CCEDLO C#CC[N@@H+](CC(=O)Nc1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000491727954 332310826 /nfs/dbraw/zinc/31/08/26/332310826.db2.gz CPVNVPCSPKNXBH-ZDUSSCGKSA-N 1 2 296.334 0.761 20 30 CCEDLO C#CC[N@H+](CC(=O)Nc1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000491727954 332310828 /nfs/dbraw/zinc/31/08/28/332310828.db2.gz CPVNVPCSPKNXBH-ZDUSSCGKSA-N 1 2 296.334 0.761 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2ncnn2CCC)CC1 ZINC000491739115 332318682 /nfs/dbraw/zinc/31/86/82/332318682.db2.gz TXGBZKZHNGXATI-UHFFFAOYSA-N 1 2 289.383 0.650 20 30 CCEDLO C#C[C@H](CC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491739529 332318893 /nfs/dbraw/zinc/31/88/93/332318893.db2.gz DFDWBUCRPZCXSF-GFCCVEGCSA-N 1 2 267.373 0.808 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000491764086 332332697 /nfs/dbraw/zinc/33/26/97/332332697.db2.gz CMMLRYVONHHQTQ-UHFFFAOYSA-N 1 2 289.383 0.890 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491781841 332345797 /nfs/dbraw/zinc/34/57/97/332345797.db2.gz OKSRPKFMDUNVSE-UHFFFAOYSA-N 1 2 260.253 0.833 20 30 CCEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491781841 332345798 /nfs/dbraw/zinc/34/57/98/332345798.db2.gz OKSRPKFMDUNVSE-UHFFFAOYSA-N 1 2 260.253 0.833 20 30 CCEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOC[C@@H]1C#N ZINC000492489865 332399880 /nfs/dbraw/zinc/39/98/80/332399880.db2.gz HBLDKAWEIYBHHK-UFFNRZRYSA-N 1 2 260.297 0.667 20 30 CCEDLO COC(=O)NCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496794354 332560479 /nfs/dbraw/zinc/56/04/79/332560479.db2.gz ODSDDGCJPOGKNO-GFCCVEGCSA-N 1 2 270.333 0.083 20 30 CCEDLO COC(=O)[C@@H]1CN(C[NH+]2CCC(CC#N)CC2)C(=O)O1 ZINC000496913787 332564289 /nfs/dbraw/zinc/56/42/89/332564289.db2.gz UYPRETSWPYFKIJ-NSHDSACASA-N 1 2 281.312 0.563 20 30 CCEDLO CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)C[C@@H](C)C#N ZINC000075678233 334048915 /nfs/dbraw/zinc/04/89/15/334048915.db2.gz HADTUTPQTKECMI-NSHDSACASA-N 1 2 299.400 0.180 20 30 CCEDLO CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)C[C@@H](C)C#N ZINC000075678233 334048916 /nfs/dbraw/zinc/04/89/16/334048916.db2.gz HADTUTPQTKECMI-NSHDSACASA-N 1 2 299.400 0.180 20 30 CCEDLO COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000135338699 334126458 /nfs/dbraw/zinc/12/64/58/334126458.db2.gz HTAACTMHSLENQQ-YPMHNXCESA-N 1 2 279.340 0.676 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[nH]1 ZINC000553130189 334363697 /nfs/dbraw/zinc/36/36/97/334363697.db2.gz ITPSKTKXJHFACK-LLVKDONJSA-N 1 2 284.323 0.616 20 30 CCEDLO CCc1ocnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309777 334642312 /nfs/dbraw/zinc/64/23/12/334642312.db2.gz SJGJIIDSIAWBGT-GFCCVEGCSA-N 1 2 250.302 0.811 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000567680800 334751410 /nfs/dbraw/zinc/75/14/10/334751410.db2.gz FSUXLKSCGDDCHF-UHFFFAOYSA-N 1 2 298.324 0.376 20 30 CCEDLO COc1cc(C[NH2+]Cc2cc(C(N)=O)no2)ccc1C#N ZINC000442852036 533886819 /nfs/dbraw/zinc/88/68/19/533886819.db2.gz XLEDNDDJYZAVQJ-UHFFFAOYSA-N 1 2 286.291 0.944 20 30 CCEDLO C[C@H](NC(=O)N[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000329996654 534280331 /nfs/dbraw/zinc/28/03/31/534280331.db2.gz PFSPQCWBKAUDNC-JZRPKSSGSA-N 1 2 283.372 0.244 20 30 CCEDLO Cc1nc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000329263418 534451307 /nfs/dbraw/zinc/45/13/07/534451307.db2.gz ZTTQROCXRZSMFF-MRVPVSSYSA-N 1 2 252.322 0.337 20 30 CCEDLO Cc1nnc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[nH]1 ZINC000329263418 534451310 /nfs/dbraw/zinc/45/13/10/534451310.db2.gz ZTTQROCXRZSMFF-MRVPVSSYSA-N 1 2 252.322 0.337 20 30 CCEDLO Cc1cn2cc(NC(=O)Cn3cnc(C#N)n3)ccc2[nH+]1 ZINC000426436925 534514814 /nfs/dbraw/zinc/51/48/14/534514814.db2.gz TURDVBREZRNPRR-UHFFFAOYSA-N 1 2 281.279 0.745 20 30 CCEDLO CC[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147430458 521121215 /nfs/dbraw/zinc/12/12/15/521121215.db2.gz HSRVFGOXOUSPGZ-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO CC[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147430458 521121223 /nfs/dbraw/zinc/12/12/23/521121223.db2.gz HSRVFGOXOUSPGZ-UHFFFAOYSA-N 1 2 282.365 0.646 20 30 CCEDLO CC#CCC[N@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000347324119 526307654 /nfs/dbraw/zinc/30/76/54/526307654.db2.gz YJQVIKHIRNSSKW-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO CC#CCC[N@@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000347324119 526307662 /nfs/dbraw/zinc/30/76/62/526307662.db2.gz YJQVIKHIRNSSKW-GFCCVEGCSA-N 1 2 258.387 0.756 20 30 CCEDLO C=C(C)C[N@H+](CC(=O)NCC#N)Cc1ccc(CO)o1 ZINC000352797444 526510788 /nfs/dbraw/zinc/51/07/88/526510788.db2.gz AZKHMQVYSFHSBF-UHFFFAOYSA-N 1 2 277.324 0.790 20 30 CCEDLO C=C(C)C[N@@H+](CC(=O)NCC#N)Cc1ccc(CO)o1 ZINC000352797444 526510795 /nfs/dbraw/zinc/51/07/95/526510795.db2.gz AZKHMQVYSFHSBF-UHFFFAOYSA-N 1 2 277.324 0.790 20 30 CCEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(N)=O ZINC000352806736 526561413 /nfs/dbraw/zinc/56/14/13/526561413.db2.gz VIQQFYASMPZSOP-SNVBAGLBSA-N 1 2 295.339 0.733 20 30 CCEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(N)=O ZINC000352806736 526561415 /nfs/dbraw/zinc/56/14/15/526561415.db2.gz VIQQFYASMPZSOP-SNVBAGLBSA-N 1 2 295.339 0.733 20 30 CCEDLO C=CCOCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354782339 526687574 /nfs/dbraw/zinc/68/75/74/526687574.db2.gz LBQBHORDRPAICB-UHFFFAOYSA-N 1 2 281.356 0.263 20 30 CCEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000347861156 526691669 /nfs/dbraw/zinc/69/16/69/526691669.db2.gz KUHKPBLIWMUOJP-CQSZACIVSA-N 1 2 282.384 0.902 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355084752 527379530 /nfs/dbraw/zinc/37/95/30/527379530.db2.gz XAZNHLPRKYZRFZ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355084752 527379538 /nfs/dbraw/zinc/37/95/38/527379538.db2.gz XAZNHLPRKYZRFZ-OLZOCXBDSA-N 1 2 270.373 0.805 20 30 CCEDLO CC1(CNC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000329703386 527902452 /nfs/dbraw/zinc/90/24/52/527902452.db2.gz IHOOGYPHEXTTEM-VIFPVBQESA-N 1 2 264.329 0.807 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668218 528689307 /nfs/dbraw/zinc/68/93/07/528689307.db2.gz QLDXXHQEEJPTEX-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668218 528689311 /nfs/dbraw/zinc/68/93/11/528689311.db2.gz QLDXXHQEEJPTEX-NEPJUHHUSA-N 1 2 280.372 0.157 20 30 CCEDLO CCOCCOC[C@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425258265 528807206 /nfs/dbraw/zinc/80/72/06/528807206.db2.gz JZPARWSPYTWUIO-CYBMUJFWSA-N 1 2 279.340 0.510 20 30 CCEDLO CCNC(=O)N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000330060661 528823180 /nfs/dbraw/zinc/82/31/80/528823180.db2.gz NAMAINILRYLWRW-UHFFFAOYSA-N 1 2 293.371 0.431 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191466685 535496631 /nfs/dbraw/zinc/49/66/31/535496631.db2.gz HKGQTPVJSNWMOS-ZDUSSCGKSA-N 1 2 296.396 0.410 20 30 CCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191466685 535496632 /nfs/dbraw/zinc/49/66/32/535496632.db2.gz HKGQTPVJSNWMOS-ZDUSSCGKSA-N 1 2 296.396 0.410 20 30 CCEDLO COCC#CC[NH+]1CCN(c2ncccc2F)CC1 ZINC000677819635 545373469 /nfs/dbraw/zinc/37/34/69/545373469.db2.gz HDGVDVLHHYIZEK-UHFFFAOYSA-N 1 2 263.316 0.993 20 30 CCEDLO COCC#CC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000677818964 545373823 /nfs/dbraw/zinc/37/38/23/545373823.db2.gz MKAYECNIPUZYPR-CHWSQXEVSA-N 1 2 273.398 0.924 20 30 CCEDLO COCC#CC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000677818964 545373824 /nfs/dbraw/zinc/37/38/24/545373824.db2.gz MKAYECNIPUZYPR-CHWSQXEVSA-N 1 2 273.398 0.924 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000368989759 536304699 /nfs/dbraw/zinc/30/46/99/536304699.db2.gz KTAPYHSSAWWJOT-CYBMUJFWSA-N 1 2 296.396 0.410 20 30 CCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000368989759 536304702 /nfs/dbraw/zinc/30/47/02/536304702.db2.gz KTAPYHSSAWWJOT-CYBMUJFWSA-N 1 2 296.396 0.410 20 30 CCEDLO C=CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000679585991 545411979 /nfs/dbraw/zinc/41/19/79/545411979.db2.gz HTRDIWNOCODQLO-UHFFFAOYSA-N 1 2 273.296 0.595 20 30 CCEDLO COCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000517002407 536671688 /nfs/dbraw/zinc/67/16/88/536671688.db2.gz LHGHZIFZXBUSOR-UHFFFAOYSA-N 1 2 291.351 0.589 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000684762470 545734074 /nfs/dbraw/zinc/73/40/74/545734074.db2.gz DWCUHUKTDIXYIZ-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684762470 545734077 /nfs/dbraw/zinc/73/40/77/545734077.db2.gz DWCUHUKTDIXYIZ-MNOVXSKESA-N 1 2 262.375 0.201 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000790271581 581182329 /nfs/dbraw/zinc/18/23/29/581182329.db2.gz QINOHXBUDHZEDC-HZSPNIEDSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000790271581 581182330 /nfs/dbraw/zinc/18/23/30/581182330.db2.gz QINOHXBUDHZEDC-HZSPNIEDSA-N 1 2 280.368 0.394 20 30 CCEDLO CC(=CS(C)(=O)=O)NNc1[nH+]cncc1Cl ZINC000780279256 581224011 /nfs/dbraw/zinc/22/40/11/581224011.db2.gz JJQSOEGDRCVFGC-UHFFFAOYSA-N 1 2 262.722 0.962 20 30 CCEDLO COC[C@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777039581 581104071 /nfs/dbraw/zinc/10/40/71/581104071.db2.gz ZGMTVRBWBBVYQW-ZDUSSCGKSA-N 1 2 258.281 0.993 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000125735585 581122196 /nfs/dbraw/zinc/12/21/96/581122196.db2.gz CVXPBKYLCPBKMF-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000125735585 581122198 /nfs/dbraw/zinc/12/21/98/581122198.db2.gz CVXPBKYLCPBKMF-WDEREUQCSA-N 1 2 262.375 0.201 20 30 CCEDLO COc1cccc(N[NH+]=Cc2c(N)ncnc2OC)n1 ZINC000779819350 581208967 /nfs/dbraw/zinc/20/89/67/581208967.db2.gz NKXJDDUTGXGNPC-UHFFFAOYSA-N 1 2 274.284 0.917 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257197 581234388 /nfs/dbraw/zinc/23/43/88/581234388.db2.gz QTURRFLLJXMXKT-NWDGAFQWSA-N 1 2 268.361 0.508 20 30 CCEDLO C[C@@H](C#N)CN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257197 581234391 /nfs/dbraw/zinc/23/43/91/581234391.db2.gz QTURRFLLJXMXKT-NWDGAFQWSA-N 1 2 268.361 0.508 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000780946725 581251402 /nfs/dbraw/zinc/25/14/02/581251402.db2.gz FWJSJKLQMYDVAE-GFCCVEGCSA-N 1 2 256.265 0.631 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000780946725 581251404 /nfs/dbraw/zinc/25/14/04/581251404.db2.gz FWJSJKLQMYDVAE-GFCCVEGCSA-N 1 2 256.265 0.631 20 30 CCEDLO C#C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)[C@H]1CCCO1 ZINC000792287363 581257181 /nfs/dbraw/zinc/25/71/81/581257181.db2.gz WIBXATIBQOKXEH-ZMLRMANQSA-N 1 2 261.329 0.839 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000793494023 581301285 /nfs/dbraw/zinc/30/12/85/581301285.db2.gz RPZIOBDPURNEBE-HNNXBMFYSA-N 1 2 272.348 0.367 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000783618316 581353225 /nfs/dbraw/zinc/35/32/25/581353225.db2.gz MDHIXWOTDHOGQL-VXGBXAGGSA-N 1 2 288.413 0.576 20 30 CCEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@@]2(CCOC2)O1 ZINC000794705986 581384299 /nfs/dbraw/zinc/38/42/99/581384299.db2.gz PHAGONMVIFVNRL-SWLSCSKDSA-N 1 2 289.335 0.557 20 30 CCEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@@]2(CCOC2)O1 ZINC000794705986 581384302 /nfs/dbraw/zinc/38/43/02/581384302.db2.gz PHAGONMVIFVNRL-SWLSCSKDSA-N 1 2 289.335 0.557 20 30 CCEDLO CC1(C)C[NH+](CC(=O)NCCC#N)CC(C)(C)O1 ZINC000785521650 581411689 /nfs/dbraw/zinc/41/16/89/581411689.db2.gz ILZAFXLYXTZTME-UHFFFAOYSA-N 1 2 253.346 0.906 20 30 CCEDLO C=CCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786993542 581455391 /nfs/dbraw/zinc/45/53/91/581455391.db2.gz NJMMXJPYASRTAU-ZDUSSCGKSA-N 1 2 296.367 0.429 20 30 CCEDLO C=CCCC(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000788107744 581524282 /nfs/dbraw/zinc/52/42/82/581524282.db2.gz NRLYMOYMOKBNNH-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C#CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000754060291 581573015 /nfs/dbraw/zinc/57/30/15/581573015.db2.gz ORGNVBNMVLMJNL-UHFFFAOYSA-N 1 2 288.347 0.981 20 30 CCEDLO Cc1cc(C)n(N=Cc2c[nH+]cn2C)c(=O)c1C#N ZINC000755606565 581648665 /nfs/dbraw/zinc/64/86/65/581648665.db2.gz HUKVERCWOSJBAL-UHFFFAOYSA-N 1 2 255.281 0.953 20 30 CCEDLO COCC[N@@H+](CCC#N)CCCOC(=O)NC(N)=O ZINC000757651487 581705683 /nfs/dbraw/zinc/70/56/83/581705683.db2.gz HKMXWRVZBXPSNN-UHFFFAOYSA-N 1 2 272.305 0.043 20 30 CCEDLO COCC[N@H+](CCC#N)CCCOC(=O)NC(N)=O ZINC000757651487 581705684 /nfs/dbraw/zinc/70/56/84/581705684.db2.gz HKMXWRVZBXPSNN-UHFFFAOYSA-N 1 2 272.305 0.043 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741147053 581715977 /nfs/dbraw/zinc/71/59/77/581715977.db2.gz FYEDXNLZKZZPJS-LLVKDONJSA-N 1 2 254.330 0.706 20 30 CCEDLO C=CCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741147053 581715980 /nfs/dbraw/zinc/71/59/80/581715980.db2.gz FYEDXNLZKZZPJS-LLVKDONJSA-N 1 2 254.330 0.706 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000770242899 581736639 /nfs/dbraw/zinc/73/66/39/581736639.db2.gz UKKWOHGJSLDHSF-ZDUSSCGKSA-N 1 2 285.413 0.356 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000742281736 581777835 /nfs/dbraw/zinc/77/78/35/581777835.db2.gz CVAOPGZLDFOOHZ-UHFFFAOYSA-N 1 2 283.353 0.145 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000759024088 581781041 /nfs/dbraw/zinc/78/10/41/581781041.db2.gz IOJPRARWVVQTQY-UHFFFAOYSA-N 1 2 272.352 0.738 20 30 CCEDLO CCOc1cccc(/C=[NH+]\CCc2nnnn2C)c1O ZINC000771520726 581806343 /nfs/dbraw/zinc/80/63/43/581806343.db2.gz QALZIDCSSROJBB-ZROIWOOFSA-N 1 2 275.312 0.976 20 30 CCEDLO CC(=NOCC(N)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771574289 581809123 /nfs/dbraw/zinc/80/91/23/581809123.db2.gz DYMMISBZXNADLH-CQSZACIVSA-N 1 2 291.351 0.765 20 30 CCEDLO CC(=NOCC(N)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771574289 581809125 /nfs/dbraw/zinc/80/91/25/581809125.db2.gz DYMMISBZXNADLH-CQSZACIVSA-N 1 2 291.351 0.765 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C1CC1 ZINC000743715122 581823668 /nfs/dbraw/zinc/82/36/68/581823668.db2.gz HVUFXSLAOVDRND-GXTWGEPZSA-N 1 2 250.342 0.361 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C1CC1 ZINC000743715122 581823670 /nfs/dbraw/zinc/82/36/70/581823670.db2.gz HVUFXSLAOVDRND-GXTWGEPZSA-N 1 2 250.342 0.361 20 30 CCEDLO C=CCNC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772064888 581841440 /nfs/dbraw/zinc/84/14/40/581841440.db2.gz ZOZZBCONHBGARQ-JTQLQIEISA-N 1 2 272.370 0.269 20 30 CCEDLO C=CCNC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772064888 581841441 /nfs/dbraw/zinc/84/14/41/581841441.db2.gz ZOZZBCONHBGARQ-JTQLQIEISA-N 1 2 272.370 0.269 20 30 CCEDLO N#Cc1cccc(N2CC[NH+](CC3OCCO3)CC2)n1 ZINC000760912204 581879433 /nfs/dbraw/zinc/87/94/33/581879433.db2.gz WCGXDRUGRYJHTE-UHFFFAOYSA-N 1 2 274.324 0.448 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(O)cc2)CC1 ZINC000746259047 581905582 /nfs/dbraw/zinc/90/55/82/581905582.db2.gz JOFULXQQFNXKRB-UHFFFAOYSA-N 1 2 274.320 0.548 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000747394045 581938582 /nfs/dbraw/zinc/93/85/82/581938582.db2.gz LXEBSMVSIDPIOS-CQSZACIVSA-N 1 2 299.378 0.223 20 30 CCEDLO Cn1cc[nH+]c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000762601974 581953559 /nfs/dbraw/zinc/95/35/59/581953559.db2.gz CSUGCYBHMGOCTD-UHFFFAOYSA-N 1 2 287.327 0.493 20 30 CCEDLO C#CCC[NH+]1CCN(c2nnc(COC)s2)CC1 ZINC000774530115 581978707 /nfs/dbraw/zinc/97/87/07/581978707.db2.gz ZJSCLYIMVALGKX-UHFFFAOYSA-N 1 2 266.370 0.830 20 30 CCEDLO C=C(Br)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000749360650 582003863 /nfs/dbraw/zinc/00/38/63/582003863.db2.gz XCURGIFANCJQFQ-VIFPVBQESA-N 1 2 297.218 0.909 20 30 CCEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000749360650 582003867 /nfs/dbraw/zinc/00/38/67/582003867.db2.gz XCURGIFANCJQFQ-VIFPVBQESA-N 1 2 297.218 0.909 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)[C@@H]1CCCO1 ZINC000775324977 582017805 /nfs/dbraw/zinc/01/78/05/582017805.db2.gz ASBNDFLBXDPHLY-AGIUHOORSA-N 1 2 282.409 0.721 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1 ZINC000763997626 582025459 /nfs/dbraw/zinc/02/54/59/582025459.db2.gz YGOICTXBLIEOCW-UHFFFAOYSA-N 1 2 269.308 0.349 20 30 CCEDLO C#C[C@H]([NH2+]Cc1cn2cccnc2n1)[C@H]1CCCO1 ZINC000775784544 582037505 /nfs/dbraw/zinc/03/75/05/582037505.db2.gz JWXJEOJIGOJLBE-QWHCGFSZSA-N 1 2 256.309 1.000 20 30 CCEDLO C#C[C@@H]([NH2+]Cc1csc(CC(=O)NC)n1)[C@@H]1CCCO1 ZINC000775786670 582038077 /nfs/dbraw/zinc/03/80/77/582038077.db2.gz ZPZGYVUNKCJWGQ-NEPJUHHUSA-N 1 2 293.392 0.702 20 30 CCEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750219462 582038371 /nfs/dbraw/zinc/03/83/71/582038371.db2.gz OKVGVUUCORGLGM-UHFFFAOYSA-N 1 2 288.351 0.876 20 30 CCEDLO CC#CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000764509448 582054161 /nfs/dbraw/zinc/05/41/61/582054161.db2.gz XYKDWJLXFMGPQV-CYBMUJFWSA-N 1 2 250.342 0.723 20 30 CCEDLO C=C(Br)CNC(=O)Cc1c[nH+]cn1C ZINC000776341261 582069847 /nfs/dbraw/zinc/06/98/47/582069847.db2.gz GLPOGWZMCJXODX-UHFFFAOYSA-N 1 2 258.119 0.987 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776608343 582084243 /nfs/dbraw/zinc/08/42/43/582084243.db2.gz SUXAPLWIJWPWAA-HNNXBMFYSA-N 1 2 272.348 0.679 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776608343 582084245 /nfs/dbraw/zinc/08/42/45/582084245.db2.gz SUXAPLWIJWPWAA-HNNXBMFYSA-N 1 2 272.348 0.679 20 30 CCEDLO C#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000765115718 582090302 /nfs/dbraw/zinc/09/03/02/582090302.db2.gz NRXNXLMZRXHEID-UHFFFAOYSA-N 1 2 285.347 0.658 20 30 CCEDLO O=S1(=O)CCC(NN=Cc2cccc3[nH+]ccn32)CC1 ZINC000776793823 582091157 /nfs/dbraw/zinc/09/11/57/582091157.db2.gz UYTFNYPJHIIBNC-UHFFFAOYSA-N 1 2 292.364 0.835 20 30 CCEDLO CN1C(=O)CN(N=C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000768382849 582106150 /nfs/dbraw/zinc/10/61/50/582106150.db2.gz XWXBBAWAOCAWGS-UHFFFAOYSA-N 1 2 287.323 0.932 20 30 CCEDLO C[N@H+](CCS(N)(=O)=O)Cc1cc(C#N)cs1 ZINC000877827049 616121227 /nfs/dbraw/zinc/12/12/27/616121227.db2.gz MKUYPBFWCOZGCW-UHFFFAOYSA-N 1 2 259.356 0.340 20 30 CCEDLO C[N@@H+](CCS(N)(=O)=O)Cc1cc(C#N)cs1 ZINC000877827049 616121228 /nfs/dbraw/zinc/12/12/28/616121228.db2.gz MKUYPBFWCOZGCW-UHFFFAOYSA-N 1 2 259.356 0.340 20 30 CCEDLO C#CCOCC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851952406 612983806 /nfs/dbraw/zinc/98/38/06/612983806.db2.gz XEUKVIPEGTZVFK-ZDUSSCGKSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CCOCC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851952406 612983808 /nfs/dbraw/zinc/98/38/08/612983808.db2.gz XEUKVIPEGTZVFK-ZDUSSCGKSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CCOCC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851952405 612984075 /nfs/dbraw/zinc/98/40/75/612984075.db2.gz XEUKVIPEGTZVFK-CYBMUJFWSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CCOCC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851952405 612984077 /nfs/dbraw/zinc/98/40/77/612984077.db2.gz XEUKVIPEGTZVFK-CYBMUJFWSA-N 1 2 298.383 0.862 20 30 CCEDLO C#CC(C)(C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900703871 612945888 /nfs/dbraw/zinc/94/58/88/612945888.db2.gz QAMMNSJDDCVPOX-BENRWUELSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000905138418 612947052 /nfs/dbraw/zinc/94/70/52/612947052.db2.gz KUBULZBSZFSHHR-UHFFFAOYSA-N 1 2 252.343 0.637 20 30 CCEDLO C#CCSCC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000899198366 613012162 /nfs/dbraw/zinc/01/21/62/613012162.db2.gz BNUKEJYJUPFYEN-GFCCVEGCSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000899198366 613012163 /nfs/dbraw/zinc/01/21/63/613012163.db2.gz BNUKEJYJUPFYEN-GFCCVEGCSA-N 1 2 270.398 0.580 20 30 CCEDLO C#CCSCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898507919 613013343 /nfs/dbraw/zinc/01/33/43/613013343.db2.gz UBEDQAXTUYVJCD-LLVKDONJSA-N 1 2 258.362 0.903 20 30 CCEDLO C#CCSCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898507919 613013345 /nfs/dbraw/zinc/01/33/45/613013345.db2.gz UBEDQAXTUYVJCD-LLVKDONJSA-N 1 2 258.362 0.903 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000883631135 612948227 /nfs/dbraw/zinc/94/82/27/612948227.db2.gz MMIKGUDMTLHVKX-JTQLQIEISA-N 1 2 262.288 0.565 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000837481512 617180010 /nfs/dbraw/zinc/18/00/10/617180010.db2.gz QILVZWJCNFEZJD-NEPJUHHUSA-N 1 2 252.358 0.871 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000837481512 617180013 /nfs/dbraw/zinc/18/00/13/617180013.db2.gz QILVZWJCNFEZJD-NEPJUHHUSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC1(O)CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000890527320 612954120 /nfs/dbraw/zinc/95/41/20/612954120.db2.gz PWNPBBFMVNQTDV-UHFFFAOYSA-N 1 2 281.315 0.621 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000875928683 613062454 /nfs/dbraw/zinc/06/24/54/613062454.db2.gz MZPZVEWHIQTASD-LLVKDONJSA-N 1 2 262.313 0.447 20 30 CCEDLO C#C[C@@H](CCC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000820641355 613084863 /nfs/dbraw/zinc/08/48/63/613084863.db2.gz UIAZIYXINXFQGC-ZDUSSCGKSA-N 1 2 267.373 0.762 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880484720 614180439 /nfs/dbraw/zinc/18/04/39/614180439.db2.gz UEFBXCPSWCLCHD-WCQYABFASA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880484720 614180442 /nfs/dbraw/zinc/18/04/42/614180442.db2.gz UEFBXCPSWCLCHD-WCQYABFASA-N 1 2 251.330 0.274 20 30 CCEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C#N ZINC000801946713 614224520 /nfs/dbraw/zinc/22/45/20/614224520.db2.gz MSANUTWGAZYPCX-NEPJUHHUSA-N 1 2 253.346 0.762 20 30 CCEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C#N ZINC000801946713 614224522 /nfs/dbraw/zinc/22/45/22/614224522.db2.gz MSANUTWGAZYPCX-NEPJUHHUSA-N 1 2 253.346 0.762 20 30 CCEDLO CC1CCC(NC(=O)CO[NH+]=C(N)CCO)CC1 ZINC000136065578 614422715 /nfs/dbraw/zinc/42/27/15/614422715.db2.gz QHHNHOZQVJBRHU-UHFFFAOYSA-N 1 2 257.334 0.353 20 30 CCEDLO C#CC1(F)CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000883056566 612946931 /nfs/dbraw/zinc/94/69/31/612946931.db2.gz OVKDGHRMAQOLHD-UHFFFAOYSA-N 1 2 283.347 0.464 20 30 CCEDLO C#CC1(O)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000890520363 612959430 /nfs/dbraw/zinc/95/94/30/612959430.db2.gz HJAQPROQMONDOQ-UHFFFAOYSA-N 1 2 281.315 0.752 20 30 CCEDLO C#CCC1(NC(=O)NC[C@H](C)[NH+]2CCOCC2)CCC1 ZINC000914067543 612969265 /nfs/dbraw/zinc/96/92/65/612969265.db2.gz VPORXENDSMRQTA-ZDUSSCGKSA-N 1 2 279.384 0.952 20 30 CCEDLO C#CCCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000806917821 612979326 /nfs/dbraw/zinc/97/93/26/612979326.db2.gz PEEXDANGGUWXQV-CYBMUJFWSA-N 1 2 288.351 0.576 20 30 CCEDLO C#CCOCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928638444 612980429 /nfs/dbraw/zinc/98/04/29/612980429.db2.gz CSFAKEDYVWGQGD-ZDUSSCGKSA-N 1 2 268.357 0.253 20 30 CCEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)CO ZINC000853450542 612982964 /nfs/dbraw/zinc/98/29/64/612982964.db2.gz BWHSSVHCGPLUEO-NSHDSACASA-N 1 2 250.298 0.639 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840285279 612989955 /nfs/dbraw/zinc/98/99/55/612989955.db2.gz DKXPXWJARSFCJE-CHWSQXEVSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCOCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840285279 612989957 /nfs/dbraw/zinc/98/99/57/612989957.db2.gz DKXPXWJARSFCJE-CHWSQXEVSA-N 1 2 290.367 0.745 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874708311 613001247 /nfs/dbraw/zinc/00/12/47/613001247.db2.gz MBILYRBGJWZXNW-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874708311 613001248 /nfs/dbraw/zinc/00/12/48/613001248.db2.gz MBILYRBGJWZXNW-CHWSQXEVSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000823081623 613001383 /nfs/dbraw/zinc/00/13/83/613001383.db2.gz YKYWNMYZQMCZSH-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCO[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000823081623 613001385 /nfs/dbraw/zinc/00/13/85/613001385.db2.gz YKYWNMYZQMCZSH-GFCCVEGCSA-N 1 2 268.357 0.252 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CSCC#C)CC1 ZINC000895884526 613009304 /nfs/dbraw/zinc/00/93/04/613009304.db2.gz JSWWJQMBPWTISH-UHFFFAOYSA-N 1 2 250.367 0.520 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000825077592 613010344 /nfs/dbraw/zinc/01/03/44/613010344.db2.gz BPQBHWPNMRUMDX-ZDUSSCGKSA-N 1 2 286.379 0.682 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000814106985 613010647 /nfs/dbraw/zinc/01/06/47/613010647.db2.gz QLEOHQCVDREAIB-UHFFFAOYSA-N 1 2 257.293 0.932 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC000825077649 613011263 /nfs/dbraw/zinc/01/12/63/613011263.db2.gz DGPXRJKSIPEXIT-UHFFFAOYSA-N 1 2 298.350 0.214 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000809392408 613012032 /nfs/dbraw/zinc/01/20/32/613012032.db2.gz RPIBHOIFRCODTN-UHFFFAOYSA-N 1 2 283.397 0.507 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869498308 613031231 /nfs/dbraw/zinc/03/12/31/613031231.db2.gz LFTMXGPBXPAHII-AGLBCWCQSA-N 1 2 266.341 0.029 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000863807587 613032733 /nfs/dbraw/zinc/03/27/33/613032733.db2.gz HWMPPIZRVQHNEJ-LBPRGKRZSA-N 1 2 275.352 0.916 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000863799066 613037242 /nfs/dbraw/zinc/03/72/42/613037242.db2.gz VPNYGBFYDHLYJM-RYUDHWBXSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC[C@H](CCOC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000863538905 613048788 /nfs/dbraw/zinc/04/87/88/613048788.db2.gz SMAGQXIOSYNBBF-NEPJUHHUSA-N 1 2 290.323 0.301 20 30 CCEDLO C#CC[C@H](CCOC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000863538905 613048790 /nfs/dbraw/zinc/04/87/90/613048790.db2.gz SMAGQXIOSYNBBF-NEPJUHHUSA-N 1 2 290.323 0.301 20 30 CCEDLO C#CCC[C@@H](O)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907978130 613055476 /nfs/dbraw/zinc/05/54/76/613055476.db2.gz NNCGYIYYQOZWTE-QLKUMGTLSA-N 1 2 280.368 0.155 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907978131 613060004 /nfs/dbraw/zinc/06/00/04/613060004.db2.gz NNCGYIYYQOZWTE-UELRPHRMSA-N 1 2 280.368 0.155 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000831764481 613062571 /nfs/dbraw/zinc/06/25/71/613062571.db2.gz VNDHNCVZYBQUDL-RRFJBIMHSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000831764481 613062572 /nfs/dbraw/zinc/06/25/72/613062572.db2.gz VNDHNCVZYBQUDL-RRFJBIMHSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000858140867 613064192 /nfs/dbraw/zinc/06/41/92/613064192.db2.gz IUQJKYXFSUUQPV-QWHCGFSZSA-N 1 2 283.372 0.045 20 30 CCEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000843241600 613071634 /nfs/dbraw/zinc/07/16/34/613071634.db2.gz FYPAQSHMGUFLAT-AWEZNQCLSA-N 1 2 291.395 0.412 20 30 CCEDLO C#CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000862566102 613073924 /nfs/dbraw/zinc/07/39/24/613073924.db2.gz IBSBEWZZABPSQV-KBPBESRZSA-N 1 2 263.385 0.494 20 30 CCEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819698401 613099001 /nfs/dbraw/zinc/09/90/01/613099001.db2.gz YMJAJDNNLVFHIG-CQSZACIVSA-N 1 2 281.319 0.469 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000848493159 613105829 /nfs/dbraw/zinc/10/58/29/613105829.db2.gz LZEAYGPCJYDESK-GFCCVEGCSA-N 1 2 291.351 0.736 20 30 CCEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000848493159 613105831 /nfs/dbraw/zinc/10/58/31/613105831.db2.gz LZEAYGPCJYDESK-GFCCVEGCSA-N 1 2 291.351 0.736 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000819701645 613106539 /nfs/dbraw/zinc/10/65/39/613106539.db2.gz KNMCZJCJAHTXOU-UHFFFAOYSA-N 1 2 284.323 0.760 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000819701645 613106542 /nfs/dbraw/zinc/10/65/42/613106542.db2.gz KNMCZJCJAHTXOU-UHFFFAOYSA-N 1 2 284.323 0.760 20 30 CCEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033517 613106868 /nfs/dbraw/zinc/10/68/68/613106868.db2.gz XYMBNBCGZNTAMW-GHMZBOCLSA-N 1 2 274.372 0.926 20 30 CCEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000847033517 613106869 /nfs/dbraw/zinc/10/68/69/613106869.db2.gz XYMBNBCGZNTAMW-GHMZBOCLSA-N 1 2 274.372 0.926 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CN=C(c2cnn(C)c2)O1)C1CSC1 ZINC000930960091 613108408 /nfs/dbraw/zinc/10/84/08/613108408.db2.gz HUPQCMNQOXTYEW-ZDUSSCGKSA-N 1 2 290.392 0.616 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CN=C(c2cnn(C)c2)O1)C1CSC1 ZINC000930960091 613108410 /nfs/dbraw/zinc/10/84/10/613108410.db2.gz HUPQCMNQOXTYEW-ZDUSSCGKSA-N 1 2 290.392 0.616 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cccc(OC)c3C2)C1=O ZINC000821771472 613109507 /nfs/dbraw/zinc/10/95/07/613109507.db2.gz ALJFXNTZSUMBFE-CQSZACIVSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cccc(OC)c3C2)C1=O ZINC000821771472 613109508 /nfs/dbraw/zinc/10/95/08/613109508.db2.gz ALJFXNTZSUMBFE-CQSZACIVSA-N 1 2 298.342 0.814 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000941285210 613115449 /nfs/dbraw/zinc/11/54/49/613115449.db2.gz KGTQEHGRHDPIDJ-UHFFFAOYSA-N 1 2 273.336 0.355 20 30 CCEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(F)F)CC1 ZINC000800166356 613131848 /nfs/dbraw/zinc/13/18/48/613131848.db2.gz OVKXWKHYHYXFLT-UHFFFAOYSA-N 1 2 259.252 0.709 20 30 CCEDLO C#C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C1CCOCC1 ZINC000852377479 613140064 /nfs/dbraw/zinc/14/00/64/613140064.db2.gz KLBCNBRHGBTEDK-AWEZNQCLSA-N 1 2 290.367 0.690 20 30 CCEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000856106767 613147650 /nfs/dbraw/zinc/14/76/50/613147650.db2.gz ZEZDQMCGWOGGBV-ZFWWWQNUSA-N 1 2 287.363 0.990 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000847305205 613157171 /nfs/dbraw/zinc/15/71/71/613157171.db2.gz IFIJFEGBMOOULQ-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000847305205 613157175 /nfs/dbraw/zinc/15/71/75/613157175.db2.gz IFIJFEGBMOOULQ-KBPBESRZSA-N 1 2 279.384 0.762 20 30 CCEDLO C#C[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846254561 613159990 /nfs/dbraw/zinc/15/99/90/613159990.db2.gz LQEUOOOLDPWQQP-ZDUSSCGKSA-N 1 2 273.336 0.623 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC000923566246 613165197 /nfs/dbraw/zinc/16/51/97/613165197.db2.gz OGBGCXPZFDTICR-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC000923566246 613165198 /nfs/dbraw/zinc/16/51/98/613165198.db2.gz OGBGCXPZFDTICR-CQSZACIVSA-N 1 2 291.395 0.459 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCOC)C2)cn1 ZINC000957289620 613167137 /nfs/dbraw/zinc/16/71/37/613167137.db2.gz ACPRMPCXQHLNLS-UHFFFAOYSA-N 1 2 287.363 0.856 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@H](C)O)C2)cn1 ZINC000957290025 613167151 /nfs/dbraw/zinc/16/71/51/613167151.db2.gz KKKMXPYUFVMMQC-LBPRGKRZSA-N 1 2 287.363 0.590 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000981731162 613168478 /nfs/dbraw/zinc/16/84/78/613168478.db2.gz DORRKCGAGPUXKO-UHFFFAOYSA-N 1 2 285.347 0.301 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000981731162 613168479 /nfs/dbraw/zinc/16/84/79/613168479.db2.gz DORRKCGAGPUXKO-UHFFFAOYSA-N 1 2 285.347 0.301 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[S@@](=O)CC)C1 ZINC000884153103 613169336 /nfs/dbraw/zinc/16/93/36/613169336.db2.gz CNAHZGVANYUNJH-BLVKFPJESA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[S@@](=O)CC)C1 ZINC000884153103 613169337 /nfs/dbraw/zinc/16/93/37/613169337.db2.gz CNAHZGVANYUNJH-BLVKFPJESA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC000923581111 613174816 /nfs/dbraw/zinc/17/48/16/613174816.db2.gz HPGHRSIMJUJSRO-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC000923581111 613174818 /nfs/dbraw/zinc/17/48/18/613174818.db2.gz HPGHRSIMJUJSRO-SECBINFHSA-N 1 2 250.327 0.366 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)C2CC2)C1 ZINC000885511281 613175883 /nfs/dbraw/zinc/17/58/83/613175883.db2.gz DZLIZOJCGNXWSX-LLVKDONJSA-N 1 2 271.386 0.013 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)C2CC2)C1 ZINC000885511281 613175884 /nfs/dbraw/zinc/17/58/84/613175884.db2.gz DZLIZOJCGNXWSX-LLVKDONJSA-N 1 2 271.386 0.013 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509633 613175964 /nfs/dbraw/zinc/17/59/64/613175964.db2.gz VEPKZXGKIIKCII-RQJABVFESA-N 1 2 298.408 0.323 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC000885509633 613175965 /nfs/dbraw/zinc/17/59/65/613175965.db2.gz VEPKZXGKIIKCII-RQJABVFESA-N 1 2 298.408 0.323 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000836867046 613178579 /nfs/dbraw/zinc/17/85/79/613178579.db2.gz USPOELPGMZIUSZ-GASCZTMLSA-N 1 2 285.347 0.656 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000836867046 613178580 /nfs/dbraw/zinc/17/85/80/613178580.db2.gz USPOELPGMZIUSZ-GASCZTMLSA-N 1 2 285.347 0.656 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC000923574044 613181352 /nfs/dbraw/zinc/18/13/52/613181352.db2.gz CVTVISJFSJXTLR-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC000923574044 613181354 /nfs/dbraw/zinc/18/13/54/613181354.db2.gz CVTVISJFSJXTLR-NSHDSACASA-N 1 2 250.342 0.815 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)cc1 ZINC000967678892 613186681 /nfs/dbraw/zinc/18/66/81/613186681.db2.gz QBPUGFTUQQMGQE-SWLSCSKDSA-N 1 2 299.374 0.593 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)cc1 ZINC000967678892 613186683 /nfs/dbraw/zinc/18/66/83/613186683.db2.gz QBPUGFTUQQMGQE-SWLSCSKDSA-N 1 2 299.374 0.593 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)C1 ZINC000923596649 613189795 /nfs/dbraw/zinc/18/97/95/613189795.db2.gz KCMYSEMHVPLDDJ-AUZPSNTRSA-N 1 2 260.337 0.425 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)C1 ZINC000923596649 613189797 /nfs/dbraw/zinc/18/97/97/613189797.db2.gz KCMYSEMHVPLDDJ-AUZPSNTRSA-N 1 2 260.337 0.425 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000923580905 613191082 /nfs/dbraw/zinc/19/10/82/613191082.db2.gz FCQDPJKDJJFQCF-NSHDSACASA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000923580905 613191083 /nfs/dbraw/zinc/19/10/83/613191083.db2.gz FCQDPJKDJJFQCF-NSHDSACASA-N 1 2 291.376 0.674 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC)C1=O ZINC000928868838 613202553 /nfs/dbraw/zinc/20/25/53/613202553.db2.gz UDPBMNJRMFDANN-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC)C1=O ZINC000928868838 613202556 /nfs/dbraw/zinc/20/25/56/613202556.db2.gz UDPBMNJRMFDANN-STQMWFEESA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972307069 613212318 /nfs/dbraw/zinc/21/23/18/613212318.db2.gz CDSRJJPMMBPEJO-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCOC3)C2)C1 ZINC000972307069 613212319 /nfs/dbraw/zinc/21/23/19/613212319.db2.gz CDSRJJPMMBPEJO-GOEBONIOSA-N 1 2 292.379 0.350 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972349041 613212997 /nfs/dbraw/zinc/21/29/97/613212997.db2.gz UNJBMRMUEXZWEN-MRXNPFEDSA-N 1 2 298.346 0.436 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972349041 613212999 /nfs/dbraw/zinc/21/29/99/613212999.db2.gz UNJBMRMUEXZWEN-MRXNPFEDSA-N 1 2 298.346 0.436 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972531538 613213011 /nfs/dbraw/zinc/21/30/11/613213011.db2.gz LIEAPWZRQNLHJF-GDBMZVCRSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972531538 613213013 /nfs/dbraw/zinc/21/30/13/613213013.db2.gz LIEAPWZRQNLHJF-GDBMZVCRSA-N 1 2 294.395 0.594 20 30 CCEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972589666 613213196 /nfs/dbraw/zinc/21/31/96/613213196.db2.gz KEGPNQOWPQWIQX-ZMSDIMECSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972589666 613213198 /nfs/dbraw/zinc/21/31/98/613213198.db2.gz KEGPNQOWPQWIQX-ZMSDIMECSA-N 1 2 288.391 0.969 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000671 613214480 /nfs/dbraw/zinc/21/44/80/613214480.db2.gz QRUMWVLHNMPBOU-PWSUYJOCSA-N 1 2 275.356 0.115 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966000671 613214481 /nfs/dbraw/zinc/21/44/81/613214481.db2.gz QRUMWVLHNMPBOU-PWSUYJOCSA-N 1 2 275.356 0.115 20 30 CCEDLO C#Cc1cncc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000807221751 613216758 /nfs/dbraw/zinc/21/67/58/613216758.db2.gz RRQKUOFVUAROST-UHFFFAOYSA-N 1 2 254.293 0.769 20 30 CCEDLO C(=NNCCCn1cc[nH+]c1)c1cnc2n1CCOC2 ZINC000905483310 613223550 /nfs/dbraw/zinc/22/35/50/613223550.db2.gz GJERIWHIPBWETH-UHFFFAOYSA-N 1 2 274.328 0.624 20 30 CCEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000830891053 613235873 /nfs/dbraw/zinc/23/58/73/613235873.db2.gz BJHNXUZMHMNZJT-RKDXNWHRSA-N 1 2 278.146 0.751 20 30 CCEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000830891053 613235876 /nfs/dbraw/zinc/23/58/76/613235876.db2.gz BJHNXUZMHMNZJT-RKDXNWHRSA-N 1 2 278.146 0.751 20 30 CCEDLO C/C(=C\C(=O)N[C@H](C#N)C1CC1)C[NH+]1CCOCC1 ZINC000900639482 613259117 /nfs/dbraw/zinc/25/91/17/613259117.db2.gz YDUGONIILPMMIZ-RUNBWSAHSA-N 1 2 263.341 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COCCN2C)C1 ZINC000949927410 613295685 /nfs/dbraw/zinc/29/56/85/613295685.db2.gz ZOXFYSXMAXMJKG-CQSZACIVSA-N 1 2 281.400 0.426 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC000957120523 613315420 /nfs/dbraw/zinc/31/54/20/613315420.db2.gz ZEKGGTPSMBLKRT-CYBMUJFWSA-N 1 2 279.384 0.575 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CC)nn2)CC1 ZINC000953835759 613321456 /nfs/dbraw/zinc/32/14/56/613321456.db2.gz UNPKXDKLKZPZLD-UHFFFAOYSA-N 1 2 263.345 0.632 20 30 CCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000851739449 613323608 /nfs/dbraw/zinc/32/36/08/613323608.db2.gz AUQIIOZLUQBMCP-LLVKDONJSA-N 1 2 289.383 0.890 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(=O)OC ZINC000870545919 613355935 /nfs/dbraw/zinc/35/59/35/613355935.db2.gz QMRDAYSGFUXIOE-SECBINFHSA-N 1 2 251.286 0.576 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118188 613357765 /nfs/dbraw/zinc/35/77/65/613357765.db2.gz QBAKHXWKQOEQOG-CHWSQXEVSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925608978 613357801 /nfs/dbraw/zinc/35/78/01/613357801.db2.gz MSNCBJYWRNLQPL-ZIAGYGMSSA-N 1 2 299.415 0.724 20 30 CCEDLO C=C(C)[C@@H](CC(=O)N[C@H](CO)c1c[nH+]cn1C)OCC ZINC000898890316 613360197 /nfs/dbraw/zinc/36/01/97/613360197.db2.gz XHKXVOUZXPXRTR-DGCLKSJQSA-N 1 2 281.356 0.941 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000969591095 613371594 /nfs/dbraw/zinc/37/15/94/613371594.db2.gz LHZOXABDVAJRIJ-SCZZXKLOSA-N 1 2 287.747 0.284 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000970021153 613372239 /nfs/dbraw/zinc/37/22/39/613372239.db2.gz RDIZSBQMAFTPPC-WDEREUQCSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000969790355 613372245 /nfs/dbraw/zinc/37/22/45/613372245.db2.gz WCUDWALFUMVHQE-WDEREUQCSA-N 1 2 299.802 0.654 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981001534 613373409 /nfs/dbraw/zinc/37/34/09/613373409.db2.gz NWCCATUJTXWNTE-UHFFFAOYSA-N 1 2 299.762 0.271 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981001534 613373410 /nfs/dbraw/zinc/37/34/10/613373410.db2.gz NWCCATUJTXWNTE-UHFFFAOYSA-N 1 2 299.762 0.271 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981746433 613373502 /nfs/dbraw/zinc/37/35/02/613373502.db2.gz CWWMUNZSSNQDLK-LLVKDONJSA-N 1 2 285.775 0.409 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981746433 613373503 /nfs/dbraw/zinc/37/35/03/613373503.db2.gz CWWMUNZSSNQDLK-LLVKDONJSA-N 1 2 285.775 0.409 20 30 CCEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933039323 613400590 /nfs/dbraw/zinc/40/05/90/613400590.db2.gz UKERBIRJEHCWIQ-MCIONIFRSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CC[C@@H]1CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000890558020 613408937 /nfs/dbraw/zinc/40/89/37/613408937.db2.gz LAXZOSCKEZPHAM-QWHCGFSZSA-N 1 2 251.374 0.799 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000878653596 613411225 /nfs/dbraw/zinc/41/12/25/613411225.db2.gz JAXLLDOIJFZMAJ-CHWSQXEVSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000878653596 613411226 /nfs/dbraw/zinc/41/12/26/613411226.db2.gz JAXLLDOIJFZMAJ-CHWSQXEVSA-N 1 2 294.355 0.525 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942278414 613435151 /nfs/dbraw/zinc/43/51/51/613435151.db2.gz VZBNYEWYHOJWAE-LLVKDONJSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311491 613441944 /nfs/dbraw/zinc/44/19/44/613441944.db2.gz ADBRTUZQVPNIOZ-TUAOUCFPSA-N 1 2 252.314 0.124 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311491 613441945 /nfs/dbraw/zinc/44/19/45/613441945.db2.gz ADBRTUZQVPNIOZ-TUAOUCFPSA-N 1 2 252.314 0.124 20 30 CCEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935015389 613448664 /nfs/dbraw/zinc/44/86/64/613448664.db2.gz JASICBZUDPBSQF-QWHCGFSZSA-N 1 2 251.374 0.705 20 30 CCEDLO C=CCC1(O)CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000886774241 613460014 /nfs/dbraw/zinc/46/00/14/613460014.db2.gz KGEMFUONFZWOIQ-UHFFFAOYSA-N 1 2 288.351 0.926 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896538956 613466143 /nfs/dbraw/zinc/46/61/43/613466143.db2.gz IJSZJIVMRJYXSH-DGAVXFQQSA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896538956 613466145 /nfs/dbraw/zinc/46/61/45/613466145.db2.gz IJSZJIVMRJYXSH-DGAVXFQQSA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896538958 613467137 /nfs/dbraw/zinc/46/71/37/613467137.db2.gz IJSZJIVMRJYXSH-SYQHCUMBSA-N 1 2 281.400 0.328 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896538958 613467139 /nfs/dbraw/zinc/46/71/39/613467139.db2.gz IJSZJIVMRJYXSH-SYQHCUMBSA-N 1 2 281.400 0.328 20 30 CCEDLO C=CCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935724122 613468200 /nfs/dbraw/zinc/46/82/00/613468200.db2.gz GOJMJLYOCGRYOR-KGLIPLIRSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000924808054 613472378 /nfs/dbraw/zinc/47/23/78/613472378.db2.gz YWWQEPWTYWZPNE-FRRDWIJNSA-N 1 2 295.383 0.982 20 30 CCEDLO C=CCCC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000924808054 613472379 /nfs/dbraw/zinc/47/23/79/613472379.db2.gz YWWQEPWTYWZPNE-FRRDWIJNSA-N 1 2 295.383 0.982 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000981887308 613473181 /nfs/dbraw/zinc/47/31/81/613473181.db2.gz AHMFKSMQEHIANI-DOMZBBRYSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000981887308 613473185 /nfs/dbraw/zinc/47/31/85/613473185.db2.gz AHMFKSMQEHIANI-DOMZBBRYSA-N 1 2 281.400 0.997 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933053671 613482096 /nfs/dbraw/zinc/48/20/96/613482096.db2.gz CMKCSZMSPKNPMD-NWDGAFQWSA-N 1 2 269.341 0.720 20 30 CCEDLO C=C[C@H](C)ONC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000845620660 613486182 /nfs/dbraw/zinc/48/61/82/613486182.db2.gz VKYKSEPVTCDHIN-NSHDSACASA-N 1 2 271.361 0.903 20 30 CCEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870153890 613494581 /nfs/dbraw/zinc/49/45/81/613494581.db2.gz VVHMUKWGYSJZOE-KBPBESRZSA-N 1 2 276.336 0.715 20 30 CCEDLO C=C[C@H](O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823310936 613497609 /nfs/dbraw/zinc/49/76/09/613497609.db2.gz HGVKOJMJZBRZFO-WDEREUQCSA-N 1 2 251.330 0.961 20 30 CCEDLO CC#CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935282255 613522752 /nfs/dbraw/zinc/52/27/52/613522752.db2.gz MCIYFCWDIKUOIB-KGLIPLIRSA-N 1 2 280.368 0.396 20 30 CCEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(F)F)CC2)C1 ZINC000941270834 613528928 /nfs/dbraw/zinc/52/89/28/613528928.db2.gz TYCQYHHYOPVSKX-UHFFFAOYSA-N 1 2 271.311 0.103 20 30 CCEDLO CC#CC[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000970686933 613537776 /nfs/dbraw/zinc/53/77/76/613537776.db2.gz UPQSAEKBNCSFDJ-LBPRGKRZSA-N 1 2 287.363 0.757 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948927079 613566421 /nfs/dbraw/zinc/56/64/21/613566421.db2.gz UYXSOTYMDHSCHJ-AWEZNQCLSA-N 1 2 286.379 0.613 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972243170 613570921 /nfs/dbraw/zinc/57/09/21/613570921.db2.gz OWFDGZFIMWMTMP-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000972243170 613570923 /nfs/dbraw/zinc/57/09/23/613570923.db2.gz OWFDGZFIMWMTMP-GOEBONIOSA-N 1 2 292.379 0.492 20 30 CCEDLO C=CCCO[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884031 613579428 /nfs/dbraw/zinc/57/94/28/613579428.db2.gz OFXGUVGZVTYLMA-MNOVXSKESA-N 1 2 267.329 0.551 20 30 CCEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880338325 613586445 /nfs/dbraw/zinc/58/64/45/613586445.db2.gz CIUXAPRPVJXMHJ-OLZOCXBDSA-N 1 2 271.357 0.871 20 30 CCEDLO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](CCF)C2)nn1 ZINC000970550912 613595718 /nfs/dbraw/zinc/59/57/18/613595718.db2.gz ADTLVFJFFDGBMK-LLVKDONJSA-N 1 2 295.362 0.874 20 30 CCEDLO C=CCCn1cc(C[NH2+]C2(C(N)=O)CCCC2)nn1 ZINC000846827863 613599239 /nfs/dbraw/zinc/59/92/39/613599239.db2.gz HDFHWQUTDQETDZ-UHFFFAOYSA-N 1 2 263.345 0.742 20 30 CCEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@H](C)COC ZINC000853604778 613605807 /nfs/dbraw/zinc/60/58/07/613605807.db2.gz ILWNPSWVQOBQPL-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@H](C)COC ZINC000853604778 613605810 /nfs/dbraw/zinc/60/58/10/613605810.db2.gz ILWNPSWVQOBQPL-KGLIPLIRSA-N 1 2 299.415 0.940 20 30 CCEDLO C=CCN(C)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803668645 613608942 /nfs/dbraw/zinc/60/89/42/613608942.db2.gz SKLORQQHSAPTCG-UHFFFAOYSA-N 1 2 291.351 0.968 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC000950697185 613653025 /nfs/dbraw/zinc/65/30/25/613653025.db2.gz LEODCIUXJPAZPY-UHFFFAOYSA-N 1 2 293.411 0.997 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000952394996 613653474 /nfs/dbraw/zinc/65/34/74/613653474.db2.gz QEYHINRYJBOQCI-CHWSQXEVSA-N 1 2 293.411 0.997 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000951181961 613653533 /nfs/dbraw/zinc/65/35/33/613653533.db2.gz NOYUGTBLZUBEHP-LBPRGKRZSA-N 1 2 265.357 0.326 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC000950989279 613654441 /nfs/dbraw/zinc/65/44/41/613654441.db2.gz JMFSKPWGCMKILS-LBPRGKRZSA-N 1 2 279.384 0.621 20 30 CCEDLO CC(=NNCCC[NH+]1CCOCC1)c1c[nH]c(N)[nH+]1 ZINC000901234764 613655172 /nfs/dbraw/zinc/65/51/72/613655172.db2.gz NGEWWLXHVCIATA-UHFFFAOYSA-N 1 2 266.349 0.028 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(C)c2)C1 ZINC000950701910 613657347 /nfs/dbraw/zinc/65/73/47/613657347.db2.gz WTCGMJGDRBXVCN-UHFFFAOYSA-N 1 2 275.352 0.718 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nnnc2C(C)C)CC1 ZINC000951566133 613710111 /nfs/dbraw/zinc/71/01/11/613710111.db2.gz FKQCPEGZMWTDBW-UHFFFAOYSA-N 1 2 278.360 0.127 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000948607089 613710430 /nfs/dbraw/zinc/71/04/30/613710430.db2.gz ARBMZTIJLNAAJK-CYBMUJFWSA-N 1 2 279.384 0.574 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2nccn3cc(C)nc23)CC1 ZINC000957105003 613719263 /nfs/dbraw/zinc/71/92/63/613719263.db2.gz PCQRDKCBTKQHIL-UHFFFAOYSA-N 1 2 285.351 0.982 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnsn3)C2)C1 ZINC000972270255 613724314 /nfs/dbraw/zinc/72/43/14/613724314.db2.gz BNDBEBMGJLSOTC-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnsn3)C2)C1 ZINC000972270255 613724318 /nfs/dbraw/zinc/72/43/18/613724318.db2.gz BNDBEBMGJLSOTC-ZDUSSCGKSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccncn3)C2)C1 ZINC000972600630 613724351 /nfs/dbraw/zinc/72/43/51/613724351.db2.gz CAJXHJFBDQJKTO-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccncn3)C2)C1 ZINC000972600630 613724353 /nfs/dbraw/zinc/72/43/53/613724353.db2.gz CAJXHJFBDQJKTO-HNNXBMFYSA-N 1 2 288.351 0.580 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972281758 613726261 /nfs/dbraw/zinc/72/62/61/613726261.db2.gz LTBWZJHKDPONLG-TZMCWYRMSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000972281758 613726262 /nfs/dbraw/zinc/72/62/62/613726262.db2.gz LTBWZJHKDPONLG-TZMCWYRMSA-N 1 2 268.357 0.511 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972613168 613726865 /nfs/dbraw/zinc/72/68/65/613726865.db2.gz ACHCTRQRNSSBCI-JKSUJKDBSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCOC3)C2)C1 ZINC000972613168 613726866 /nfs/dbraw/zinc/72/68/66/613726866.db2.gz ACHCTRQRNSSBCI-JKSUJKDBSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnns3)C2)C1 ZINC000972280945 613727615 /nfs/dbraw/zinc/72/76/15/613727615.db2.gz CQCCXASCQNSPDH-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnns3)C2)C1 ZINC000972280945 613727616 /nfs/dbraw/zinc/72/76/16/613727616.db2.gz CQCCXASCQNSPDH-CYBMUJFWSA-N 1 2 294.380 0.641 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@H]1CCOC1 ZINC000884087246 613877366 /nfs/dbraw/zinc/87/73/66/613877366.db2.gz WMIOZCFZFKKSBW-NEPJUHHUSA-N 1 2 284.356 0.318 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)C1CC1 ZINC000884325792 613877476 /nfs/dbraw/zinc/87/74/76/613877476.db2.gz AVABLDGFLWTKSX-NSHDSACASA-N 1 2 254.330 0.834 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)OC[C@@H]1CC ZINC000884381565 613878069 /nfs/dbraw/zinc/87/80/69/613878069.db2.gz JSOISRLWGKIDTQ-AVGNSLFASA-N 1 2 298.383 0.849 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(SCC)CC1 ZINC000884413125 613878103 /nfs/dbraw/zinc/87/81/03/613878103.db2.gz KDYKUNJWHGVDHJ-JTQLQIEISA-N 1 2 286.397 0.835 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCSC1 ZINC000884449234 613878273 /nfs/dbraw/zinc/87/82/73/613878273.db2.gz ZIPCWSGSKIJIMF-QWRGUYRKSA-N 1 2 286.397 0.692 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(OC)cc1 ZINC000884046872 613878380 /nfs/dbraw/zinc/87/83/80/613878380.db2.gz UWFXEPJSAWGMQV-ZDUSSCGKSA-N 1 2 292.335 0.758 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCCO1 ZINC000884099498 613878421 /nfs/dbraw/zinc/87/84/21/613878421.db2.gz QARSOWJDUZPKOA-MNOVXSKESA-N 1 2 270.329 0.118 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000884346818 613878813 /nfs/dbraw/zinc/87/88/13/613878813.db2.gz BXPWHTRSKPOZEX-TUAOUCFPSA-N 1 2 284.356 0.507 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000884377226 613879009 /nfs/dbraw/zinc/87/90/09/613879009.db2.gz CWSUJHHAVDFVFM-USZNOCQGSA-N 1 2 284.356 0.505 20 30 CCEDLO CC(C)(C)C#CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452571 614315074 /nfs/dbraw/zinc/31/50/74/614315074.db2.gz BZPVLIILLZMCIK-GFCCVEGCSA-N 1 2 260.341 0.932 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855406167 614327448 /nfs/dbraw/zinc/32/74/48/614327448.db2.gz CNEPZPHNMIQBJV-OLZOCXBDSA-N 1 2 252.358 0.871 20 30 CCEDLO CC(C)C#CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855406167 614327449 /nfs/dbraw/zinc/32/74/49/614327449.db2.gz CNEPZPHNMIQBJV-OLZOCXBDSA-N 1 2 252.358 0.871 20 30 CCEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000882764330 615328071 /nfs/dbraw/zinc/32/80/71/615328071.db2.gz QQILSSOTAODHAX-VIFPVBQESA-N 1 2 285.394 0.992 20 30 CCEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccsc1C#N ZINC000882764330 615328073 /nfs/dbraw/zinc/32/80/73/615328073.db2.gz QQILSSOTAODHAX-VIFPVBQESA-N 1 2 285.394 0.992 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C#N ZINC000875477397 615567443 /nfs/dbraw/zinc/56/74/43/615567443.db2.gz YLHBCJMUFWNNOC-NWDGAFQWSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C#N ZINC000875477397 615567444 /nfs/dbraw/zinc/56/74/44/615567444.db2.gz YLHBCJMUFWNNOC-NWDGAFQWSA-N 1 2 268.361 0.556 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000875478677 615567607 /nfs/dbraw/zinc/56/76/07/615567607.db2.gz MUZNSOAPVRLJIU-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C#N ZINC000875478677 615567608 /nfs/dbraw/zinc/56/76/08/615567608.db2.gz MUZNSOAPVRLJIU-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO CCc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968613387 615839335 /nfs/dbraw/zinc/83/93/35/615839335.db2.gz GWHWLRVYKJVSKN-GFCCVEGCSA-N 1 2 288.351 0.736 20 30 CCEDLO C[NH+](C)CC#CCNC(=O)CS(=O)(=O)C1CCCC1 ZINC000913517251 615858318 /nfs/dbraw/zinc/85/83/18/615858318.db2.gz ZOOGCVCOBATEDJ-UHFFFAOYSA-N 1 2 286.397 0.025 20 30 CCEDLO CN(CCO)c1ccc(C=[NH+]Nc2cnnn2C)cc1 ZINC000814980114 616113674 /nfs/dbraw/zinc/11/36/74/616113674.db2.gz ZMGJOCPJJDFVGE-UHFFFAOYSA-N 1 2 274.328 0.690 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)C[C@H]1CO ZINC000913555211 616223857 /nfs/dbraw/zinc/22/38/57/616223857.db2.gz WZFLYVVUYMKXJX-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)C[C@H]1CO ZINC000913555211 616223858 /nfs/dbraw/zinc/22/38/58/616223858.db2.gz WZFLYVVUYMKXJX-ZDUSSCGKSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@H]1CO ZINC000913556269 616229078 /nfs/dbraw/zinc/22/90/78/616229078.db2.gz VGYIXCHRCHTGLQ-UJJWPFCGSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@H+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@H]1CO ZINC000913556269 616229079 /nfs/dbraw/zinc/22/90/79/616229079.db2.gz VGYIXCHRCHTGLQ-UJJWPFCGSA-N 1 2 291.395 0.841 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1CO ZINC000913552378 616230906 /nfs/dbraw/zinc/23/09/06/616230906.db2.gz MNPRBHYNVLFJGP-GFCCVEGCSA-N 1 2 289.335 0.337 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1CO ZINC000913552378 616230907 /nfs/dbraw/zinc/23/09/07/616230907.db2.gz MNPRBHYNVLFJGP-GFCCVEGCSA-N 1 2 289.335 0.337 20 30 CCEDLO C[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)[C@H](CO)C1 ZINC000912741696 616231977 /nfs/dbraw/zinc/23/19/77/616231977.db2.gz ZYOSDWGVZSVBHE-JTQLQIEISA-N 1 2 294.742 0.355 20 30 CCEDLO C[N@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)[C@H](CO)C1 ZINC000912741696 616231978 /nfs/dbraw/zinc/23/19/78/616231978.db2.gz ZYOSDWGVZSVBHE-JTQLQIEISA-N 1 2 294.742 0.355 20 30 CCEDLO COC(OC)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000930957233 616326464 /nfs/dbraw/zinc/32/64/64/616326464.db2.gz AMCZBUUNDNQVLO-VXGBXAGGSA-N 1 2 281.356 0.442 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886166922 616479454 /nfs/dbraw/zinc/47/94/54/616479454.db2.gz VPUPUBDHKXQFSW-TUAOUCFPSA-N 1 2 282.340 0.039 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886166922 616479458 /nfs/dbraw/zinc/47/94/58/616479458.db2.gz VPUPUBDHKXQFSW-TUAOUCFPSA-N 1 2 282.340 0.039 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940070 616528377 /nfs/dbraw/zinc/52/83/77/616528377.db2.gz MGIGYPIABIDHTN-RYUDHWBXSA-N 1 2 257.355 0.003 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940070 616528382 /nfs/dbraw/zinc/52/83/82/616528382.db2.gz MGIGYPIABIDHTN-RYUDHWBXSA-N 1 2 257.355 0.003 20 30 CCEDLO COCCOCCN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000844468535 616543151 /nfs/dbraw/zinc/54/31/51/616543151.db2.gz VKUYWRVEFZFUOZ-AWEZNQCLSA-N 1 2 285.388 0.196 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCCn1cc[nH+]c1 ZINC000871340623 616543973 /nfs/dbraw/zinc/54/39/73/616543973.db2.gz CWAZTLQGKJWNQB-UHFFFAOYSA-N 1 2 278.312 0.579 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886206247 616669008 /nfs/dbraw/zinc/66/90/08/616669008.db2.gz NZAHEBBSQBCOHH-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886206247 616669012 /nfs/dbraw/zinc/66/90/12/616669012.db2.gz NZAHEBBSQBCOHH-OLZOCXBDSA-N 1 2 296.367 0.695 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCO[C@H](C)C#N ZINC000852633819 616860198 /nfs/dbraw/zinc/86/01/98/616860198.db2.gz IHYZYPSGBKGTMZ-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1CCO[C@H](C)C#N ZINC000852633819 616860201 /nfs/dbraw/zinc/86/02/01/616860201.db2.gz IHYZYPSGBKGTMZ-YPMHNXCESA-N 1 2 270.329 0.569 20 30 CCEDLO CNC(=S)N(C)N=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872381609 616927867 /nfs/dbraw/zinc/92/78/67/616927867.db2.gz UZLCBWJZQWZTBR-JTQLQIEISA-N 1 2 272.443 0.990 20 30 CCEDLO CNC(=S)N(C)N=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872381609 616927870 /nfs/dbraw/zinc/92/78/70/616927870.db2.gz UZLCBWJZQWZTBR-JTQLQIEISA-N 1 2 272.443 0.990 20 30 CCEDLO CON1CC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000902302995 617096326 /nfs/dbraw/zinc/09/63/26/617096326.db2.gz DPGXOZNFRUTTNS-GFCCVEGCSA-N 1 2 291.307 0.421 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)OCc2cncc(C#N)c2)[N@H+](C)C1 ZINC000922714380 617120018 /nfs/dbraw/zinc/12/00/18/617120018.db2.gz CPSWAAAVTOLENA-STQMWFEESA-N 1 2 275.308 0.716 20 30 CCEDLO CO[C@H]1C[C@@H](C(=O)OCc2cncc(C#N)c2)[N@@H+](C)C1 ZINC000922714380 617120019 /nfs/dbraw/zinc/12/00/19/617120019.db2.gz CPSWAAAVTOLENA-STQMWFEESA-N 1 2 275.308 0.716 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@H]2C1 ZINC001026408738 625436698 /nfs/dbraw/zinc/43/66/98/625436698.db2.gz CGDUOMPAGAXTJK-AVGNSLFASA-N 1 2 287.367 0.611 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000934510792 622729445 /nfs/dbraw/zinc/72/94/45/622729445.db2.gz LDYDVNJBMKUKIL-CHWSQXEVSA-N 1 2 250.342 0.769 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000934510792 622729436 /nfs/dbraw/zinc/72/94/36/622729436.db2.gz LDYDVNJBMKUKIL-CHWSQXEVSA-N 1 2 250.342 0.769 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934577577 622764891 /nfs/dbraw/zinc/76/48/91/622764891.db2.gz QNJBWFKUSJJUKS-HZSPNIEDSA-N 1 2 264.300 0.996 20 30 CCEDLO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934577577 622764900 /nfs/dbraw/zinc/76/49/00/622764900.db2.gz QNJBWFKUSJJUKS-HZSPNIEDSA-N 1 2 264.300 0.996 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596628 623385973 /nfs/dbraw/zinc/38/59/73/623385973.db2.gz RFFJSAKYEUDKQY-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001024596628 623385976 /nfs/dbraw/zinc/38/59/76/623385976.db2.gz RFFJSAKYEUDKQY-NWDGAFQWSA-N 1 2 299.802 0.846 20 30 CCEDLO N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677119 624807989 /nfs/dbraw/zinc/80/79/89/624807989.db2.gz GIXIWGMKIZUBDO-JSGCOSHPSA-N 1 2 287.367 0.789 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000891895830 624984280 /nfs/dbraw/zinc/98/42/80/624984280.db2.gz OKFOVCNBJYRHEQ-OCCSQVGLSA-N 1 2 296.371 0.031 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1CO ZINC000934032077 625007582 /nfs/dbraw/zinc/00/75/82/625007582.db2.gz UCNBSZRWJPKOGW-NEPJUHHUSA-N 1 2 265.357 0.784 20 30 CCEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1CO ZINC000934032077 625007583 /nfs/dbraw/zinc/00/75/83/625007583.db2.gz UCNBSZRWJPKOGW-NEPJUHHUSA-N 1 2 265.357 0.784 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000980838318 631066607 /nfs/dbraw/zinc/06/66/07/631066607.db2.gz MOHVGKILDARQTQ-VXGBXAGGSA-N 1 2 292.383 0.347 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000980838318 631066614 /nfs/dbraw/zinc/06/66/14/631066614.db2.gz MOHVGKILDARQTQ-VXGBXAGGSA-N 1 2 292.383 0.347 20 30 CCEDLO Cc1nccnc1C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980849608 631068528 /nfs/dbraw/zinc/06/85/28/631068528.db2.gz LOYNKJDVIDMVDS-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980849608 631068531 /nfs/dbraw/zinc/06/85/31/631068531.db2.gz LOYNKJDVIDMVDS-LBPRGKRZSA-N 1 2 287.367 0.979 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000981124485 631237917 /nfs/dbraw/zinc/23/79/17/631237917.db2.gz PNRVJFWCHUPZMW-UHFFFAOYSA-N 1 2 289.379 0.166 20 30 CCEDLO O=C(C#CC1CC1)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000981124485 631237923 /nfs/dbraw/zinc/23/79/23/631237923.db2.gz PNRVJFWCHUPZMW-UHFFFAOYSA-N 1 2 289.379 0.166 20 30 CCEDLO Cn1ncc(C[NH2+][C@@H]2CCCN(O)C2=O)c1Cl ZINC000895158866 631989867 /nfs/dbraw/zinc/98/98/67/631989867.db2.gz PSVAKSFLMNJPDM-MRVPVSSYSA-N 1 2 258.709 0.543 20 30 CCEDLO O=C1[C@@H]([NH2+]Cc2ccc(Cl)nn2)CCCN1O ZINC000895157840 631990692 /nfs/dbraw/zinc/99/06/92/631990692.db2.gz FSLHQRKBZVHJGX-QMMMGPOBSA-N 1 2 256.693 0.600 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)NCC#C[C@H]2CCCCO2)c1 ZINC000895292044 632047033 /nfs/dbraw/zinc/04/70/33/632047033.db2.gz RPBMALVRICVHST-CQSZACIVSA-N 1 2 290.367 0.834 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007361175 650075912 /nfs/dbraw/zinc/07/59/12/650075912.db2.gz WDKQGSFPVWEYIG-XQQFMLRXSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007361175 650075915 /nfs/dbraw/zinc/07/59/15/650075915.db2.gz WDKQGSFPVWEYIG-XQQFMLRXSA-N 1 2 295.383 0.034 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001007688836 650087878 /nfs/dbraw/zinc/08/78/78/650087878.db2.gz UNGCAZBGUSJKMX-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001007688836 650087881 /nfs/dbraw/zinc/08/78/81/650087881.db2.gz UNGCAZBGUSJKMX-GFCCVEGCSA-N 1 2 286.397 0.188 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)C2)cc1 ZINC001008148147 650103034 /nfs/dbraw/zinc/10/30/34/650103034.db2.gz LKMIMLSXISVYGN-HNNXBMFYSA-N 1 2 299.374 0.608 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001008148147 650103037 /nfs/dbraw/zinc/10/30/37/650103037.db2.gz LKMIMLSXISVYGN-HNNXBMFYSA-N 1 2 299.374 0.608 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934726 633128607 /nfs/dbraw/zinc/12/86/07/633128607.db2.gz UTACYMQHZGJBCZ-CMPLNLGQSA-N 1 2 261.329 0.445 20 30 CCEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934726 633128608 /nfs/dbraw/zinc/12/86/08/633128608.db2.gz UTACYMQHZGJBCZ-CMPLNLGQSA-N 1 2 261.329 0.445 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008331924 650110414 /nfs/dbraw/zinc/11/04/14/650110414.db2.gz HNINPAIMGPVSGZ-SNVBAGLBSA-N 1 2 296.758 0.717 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001008331924 650110415 /nfs/dbraw/zinc/11/04/15/650110415.db2.gz HNINPAIMGPVSGZ-SNVBAGLBSA-N 1 2 296.758 0.717 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)s1 ZINC001008385287 650113130 /nfs/dbraw/zinc/11/31/30/650113130.db2.gz OZFJXXNSQUXOOT-SECBINFHSA-N 1 2 292.364 0.186 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)C2)s1 ZINC001008385287 650113131 /nfs/dbraw/zinc/11/31/31/650113131.db2.gz OZFJXXNSQUXOOT-SECBINFHSA-N 1 2 292.364 0.186 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@](O)(CC#N)C2)c[nH+]1 ZINC000898087121 633276436 /nfs/dbraw/zinc/27/64/36/633276436.db2.gz WWUBQCIJWWISOR-CQSZACIVSA-N 1 2 276.340 0.804 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cscc1C#N ZINC000898892674 633684910 /nfs/dbraw/zinc/68/49/10/633684910.db2.gz SNPDSBLHQAANPS-SNVBAGLBSA-N 1 2 276.321 0.817 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001009352403 650143324 /nfs/dbraw/zinc/14/33/24/650143324.db2.gz KCNZLYGXPNYPPO-OAHLLOKOSA-N 1 2 299.374 0.276 20 30 CCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001009352403 650143327 /nfs/dbraw/zinc/14/33/27/650143327.db2.gz KCNZLYGXPNYPPO-OAHLLOKOSA-N 1 2 299.374 0.276 20 30 CCEDLO CC[C@@H](C#N)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000906007325 634947913 /nfs/dbraw/zinc/94/79/13/634947913.db2.gz QHKYAWQBYORTLY-MJBXVCDLSA-N 1 2 295.383 0.627 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC001010122497 650186020 /nfs/dbraw/zinc/18/60/20/650186020.db2.gz GAORDPQXFNRZHE-SECBINFHSA-N 1 2 252.343 0.837 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC001010122497 650186023 /nfs/dbraw/zinc/18/60/23/650186023.db2.gz GAORDPQXFNRZHE-SECBINFHSA-N 1 2 252.343 0.837 20 30 CCEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)N1CC#N ZINC000911710251 636346229 /nfs/dbraw/zinc/34/62/29/636346229.db2.gz DFHJRHWGZNDEFF-PHIMTYICSA-N 1 2 261.329 0.397 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000913553564 636842233 /nfs/dbraw/zinc/84/22/33/636842233.db2.gz KAFMYEBKBPLEAG-AWEZNQCLSA-N 1 2 290.363 1.000 20 30 CCEDLO C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000913553564 636842238 /nfs/dbraw/zinc/84/22/38/636842238.db2.gz KAFMYEBKBPLEAG-AWEZNQCLSA-N 1 2 290.363 1.000 20 30 CCEDLO C#CCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000174103050 637243736 /nfs/dbraw/zinc/24/37/36/637243736.db2.gz BYOBORGOUKPTOA-OLZOCXBDSA-N 1 2 267.373 0.808 20 30 CCEDLO N#CCN1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000992279139 637353071 /nfs/dbraw/zinc/35/30/71/637353071.db2.gz XYRNGJIFUBUETM-OCCSQVGLSA-N 1 2 273.340 0.589 20 30 CCEDLO N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992926816 637640180 /nfs/dbraw/zinc/64/01/80/637640180.db2.gz UOIBNOKYPWBNTK-BFHYXJOUSA-N 1 2 287.367 0.623 20 30 CCEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993724558 637834718 /nfs/dbraw/zinc/83/47/18/637834718.db2.gz AOAHEISFQMTGDT-VXGBXAGGSA-N 1 2 290.367 0.732 20 30 CCEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993724558 637834720 /nfs/dbraw/zinc/83/47/20/637834720.db2.gz AOAHEISFQMTGDT-VXGBXAGGSA-N 1 2 290.367 0.732 20 30 CCEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993771829 637846161 /nfs/dbraw/zinc/84/61/61/637846161.db2.gz HICIXQYDDXYLGM-MNOVXSKESA-N 1 2 278.356 0.894 20 30 CCEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000993771829 637846165 /nfs/dbraw/zinc/84/61/65/637846165.db2.gz HICIXQYDDXYLGM-MNOVXSKESA-N 1 2 278.356 0.894 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)[C@H]1C ZINC000994015528 637860096 /nfs/dbraw/zinc/86/00/96/637860096.db2.gz BOSCFWJKOQAEGN-MNOVXSKESA-N 1 2 263.345 0.964 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2nc[nH]n2)[C@H]1C ZINC000994015528 637860101 /nfs/dbraw/zinc/86/01/01/637860101.db2.gz BOSCFWJKOQAEGN-MNOVXSKESA-N 1 2 263.345 0.964 20 30 CCEDLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NCC#N ZINC000996113339 638809376 /nfs/dbraw/zinc/80/93/76/638809376.db2.gz CYEUIIUMDFTWGR-GFCCVEGCSA-N 1 2 275.356 0.623 20 30 CCEDLO C[C@@H](CC(=O)N1CCC(NCC#N)CC1)n1cc[nH+]c1 ZINC000997044400 638849730 /nfs/dbraw/zinc/84/97/30/638849730.db2.gz DXIXDRZGDAPVDI-LBPRGKRZSA-N 1 2 275.356 0.938 20 30 CCEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998392530 638914818 /nfs/dbraw/zinc/91/48/18/638914818.db2.gz RUFPDEIIEBPIHD-UHFFFAOYSA-N 1 2 276.340 0.491 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998391438 638915240 /nfs/dbraw/zinc/91/52/40/638915240.db2.gz FRUVNQCDTRAKLQ-UHFFFAOYSA-N 1 2 290.367 0.882 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000998745336 638938158 /nfs/dbraw/zinc/93/81/58/638938158.db2.gz HBJFAYGOKYPZPD-KOLCDFICSA-N 1 2 277.328 0.618 20 30 CCEDLO CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC(NCC#N)C1 ZINC000999557262 638985551 /nfs/dbraw/zinc/98/55/51/638985551.db2.gz RVVFTLFPWBXUAM-UHFFFAOYSA-N 1 2 294.399 0.200 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000159709 639046274 /nfs/dbraw/zinc/04/62/74/639046274.db2.gz NKMFUJULNFDCKM-RYUDHWBXSA-N 1 2 287.367 0.934 20 30 CCEDLO N#CCN1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001003180340 639514564 /nfs/dbraw/zinc/51/45/64/639514564.db2.gz PNMOCBNFTWVXMQ-GFCCVEGCSA-N 1 2 287.367 0.550 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279699 650549081 /nfs/dbraw/zinc/54/90/81/650549081.db2.gz ZTSUCQIHZSXTGL-SNVBAGLBSA-N 1 2 276.292 0.086 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001015279699 650549082 /nfs/dbraw/zinc/54/90/82/650549082.db2.gz ZTSUCQIHZSXTGL-SNVBAGLBSA-N 1 2 276.292 0.086 20 30 CCEDLO N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779213322 640418670 /nfs/dbraw/zinc/41/86/70/640418670.db2.gz GHAISJFVLJGCMF-UKRRQHHQSA-N 1 2 296.330 0.919 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592950 650586268 /nfs/dbraw/zinc/58/62/68/650586268.db2.gz RMROQKLCEATLHW-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001015592950 650586270 /nfs/dbraw/zinc/58/62/70/650586270.db2.gz RMROQKLCEATLHW-RISCZKNCSA-N 1 2 299.802 0.846 20 30 CCEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000801909781 640673083 /nfs/dbraw/zinc/67/30/83/640673083.db2.gz HASPMGADSZXELX-LLVKDONJSA-N 1 2 251.330 0.469 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015820148 650634468 /nfs/dbraw/zinc/63/44/68/650634468.db2.gz ZQLCUJJFZDILJO-DYEKYZERSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015820148 650634470 /nfs/dbraw/zinc/63/44/70/650634470.db2.gz ZQLCUJJFZDILJO-DYEKYZERSA-N 1 2 295.383 0.034 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180716 650694285 /nfs/dbraw/zinc/69/42/85/650694285.db2.gz JKMYPHKOWXAGLN-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180716 650694286 /nfs/dbraw/zinc/69/42/86/650694286.db2.gz JKMYPHKOWXAGLN-JTQLQIEISA-N 1 2 296.758 0.337 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016185420 650696297 /nfs/dbraw/zinc/69/62/97/650696297.db2.gz RTVQWINKCAUGFR-SNVBAGLBSA-N 1 2 269.736 0.221 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016185420 650696298 /nfs/dbraw/zinc/69/62/98/650696298.db2.gz RTVQWINKCAUGFR-SNVBAGLBSA-N 1 2 269.736 0.221 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826707843 641953543 /nfs/dbraw/zinc/95/35/43/641953543.db2.gz ODHMJWKDXKQDPD-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO Cc1ccc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826707843 641953545 /nfs/dbraw/zinc/95/35/45/641953545.db2.gz ODHMJWKDXKQDPD-CYBMUJFWSA-N 1 2 273.336 0.615 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C ZINC001017403536 650799693 /nfs/dbraw/zinc/79/96/93/650799693.db2.gz VYAHTZZYYAYAPE-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C ZINC001017403536 650799698 /nfs/dbraw/zinc/79/96/98/650799698.db2.gz VYAHTZZYYAYAPE-TXEJJXNPSA-N 1 2 258.325 0.342 20 30 CCEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001017454655 650803717 /nfs/dbraw/zinc/80/37/17/650803717.db2.gz PFIGHIQCWSLVDZ-BETUJISGSA-N 1 2 289.383 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc[nH]n1 ZINC001017454655 650803719 /nfs/dbraw/zinc/80/37/19/650803719.db2.gz PFIGHIQCWSLVDZ-BETUJISGSA-N 1 2 289.383 0.989 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(O)CCC1 ZINC001017538916 650810168 /nfs/dbraw/zinc/81/01/68/650810168.db2.gz RUBWZKXKGJHBGT-BETUJISGSA-N 1 2 262.353 0.600 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(O)CCC1 ZINC001017538916 650810172 /nfs/dbraw/zinc/81/01/72/650810172.db2.gz RUBWZKXKGJHBGT-BETUJISGSA-N 1 2 262.353 0.600 20 30 CCEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(=O)N1 ZINC001017645459 650816127 /nfs/dbraw/zinc/81/61/27/650816127.db2.gz GYEMAUWTSKLTQG-HZSPNIEDSA-N 1 2 289.379 0.354 20 30 CCEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(=O)N1 ZINC001017645459 650816128 /nfs/dbraw/zinc/81/61/28/650816128.db2.gz GYEMAUWTSKLTQG-HZSPNIEDSA-N 1 2 289.379 0.354 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)o1 ZINC001017721445 650819218 /nfs/dbraw/zinc/81/92/18/650819218.db2.gz FBHYKZZOHNTMLT-PHIMTYICSA-N 1 2 289.335 0.853 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)o1 ZINC001017721445 650819219 /nfs/dbraw/zinc/81/92/19/650819219.db2.gz FBHYKZZOHNTMLT-PHIMTYICSA-N 1 2 289.335 0.853 20 30 CCEDLO C[C@H](C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372214 643211404 /nfs/dbraw/zinc/21/14/04/643211404.db2.gz XDQFIRXEHJZTRD-BXUZGUMPSA-N 1 2 296.392 0.957 20 30 CCEDLO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000844372214 643211412 /nfs/dbraw/zinc/21/14/12/643211412.db2.gz XDQFIRXEHJZTRD-BXUZGUMPSA-N 1 2 296.392 0.957 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1OC ZINC001017787947 650822408 /nfs/dbraw/zinc/82/24/08/650822408.db2.gz LSVRJXRQDSJVSN-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1OC ZINC001017787947 650822411 /nfs/dbraw/zinc/82/24/11/650822411.db2.gz LSVRJXRQDSJVSN-TXEJJXNPSA-N 1 2 290.367 0.904 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C#CC1CC1)C2 ZINC000846123072 643381344 /nfs/dbraw/zinc/38/13/44/643381344.db2.gz SJNKOQHRHYADJB-ZDUSSCGKSA-N 1 2 287.363 0.571 20 30 CCEDLO C[C@H](C#N)C[N@H+](C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866156 643893327 /nfs/dbraw/zinc/89/33/27/643893327.db2.gz LDRGAVALPANJGU-MLGOLLRUSA-N 1 2 287.363 0.984 20 30 CCEDLO C[C@H](C#N)C[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851866156 643893330 /nfs/dbraw/zinc/89/33/30/643893330.db2.gz LDRGAVALPANJGU-MLGOLLRUSA-N 1 2 287.363 0.984 20 30 CCEDLO Cc1nnc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)n1C ZINC000853432206 644105136 /nfs/dbraw/zinc/10/51/36/644105136.db2.gz PWRUGNXYQKFBME-SNVBAGLBSA-N 1 2 262.317 0.676 20 30 CCEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCC#N)[C@@H](C)CO1 ZINC000854025306 644170922 /nfs/dbraw/zinc/17/09/22/644170922.db2.gz LQCUFISVZNODNW-WDEREUQCSA-N 1 2 254.334 0.308 20 30 CCEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCC#N)[C@@H](C)CO1 ZINC000854025306 644170956 /nfs/dbraw/zinc/17/09/56/644170956.db2.gz LQCUFISVZNODNW-WDEREUQCSA-N 1 2 254.334 0.308 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CC=C[C@H]2CO)CCCCC1 ZINC000880482718 647206041 /nfs/dbraw/zinc/20/60/41/647206041.db2.gz PDMHNCJRKYLPPJ-LBPRGKRZSA-N 1 2 263.341 0.562 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CC=C[C@H]2CO)CCCCC1 ZINC000880482718 647206046 /nfs/dbraw/zinc/20/60/46/647206046.db2.gz PDMHNCJRKYLPPJ-LBPRGKRZSA-N 1 2 263.341 0.562 20 30 CCEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)CCO ZINC000136066894 647867106 /nfs/dbraw/zinc/86/71/06/647867106.db2.gz IFBVHEMZPBOVCW-UWVGGRQHSA-N 1 2 257.334 0.353 20 30 CCEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCc1ccco1 ZINC000137653070 647965809 /nfs/dbraw/zinc/96/58/09/647965809.db2.gz CPSXUDABJRFUIG-UHFFFAOYSA-N 1 2 288.307 0.822 20 30 CCEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NC1CCOCC1 ZINC000076291432 649375754 /nfs/dbraw/zinc/37/57/54/649375754.db2.gz DBBNLMPFXHXXMO-UHFFFAOYSA-N 1 2 291.351 0.813 20 30 CCEDLO CC(C)OC[C@H](O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914159 649728921 /nfs/dbraw/zinc/72/89/21/649728921.db2.gz YLKBISYCJYWAAM-LBPRGKRZSA-N 1 2 267.329 0.699 20 30 CCEDLO C=CC[NH+]1CCN(c2ncc(C(=O)OC)cn2)CC1 ZINC001165033148 721864776 /nfs/dbraw/zinc/86/47/76/721864776.db2.gz DTRMKXUTXZYAKK-UHFFFAOYSA-N 1 2 262.313 0.571 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230532769 805610816 /nfs/dbraw/zinc/61/08/16/805610816.db2.gz RKHLOMCWCZNIHP-AWEZNQCLSA-N 1 2 281.400 0.964 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230532769 805610821 /nfs/dbraw/zinc/61/08/21/805610821.db2.gz RKHLOMCWCZNIHP-AWEZNQCLSA-N 1 2 281.400 0.964 20 30 CCEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001266261838 790348911 /nfs/dbraw/zinc/34/89/11/790348911.db2.gz ACTFQURKLCCIOC-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001266261838 790348926 /nfs/dbraw/zinc/34/89/26/790348926.db2.gz ACTFQURKLCCIOC-UHFFFAOYSA-N 1 2 267.373 0.623 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(F)F)[C@H]2C1 ZINC001083185524 790356651 /nfs/dbraw/zinc/35/66/51/790356651.db2.gz XHJUCEWOMVDWMS-WDEREUQCSA-N 1 2 272.295 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(F)F)[C@H]2C1 ZINC001083185524 790356661 /nfs/dbraw/zinc/35/66/61/790356661.db2.gz XHJUCEWOMVDWMS-WDEREUQCSA-N 1 2 272.295 0.577 20 30 CCEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=O)N(C)CC ZINC001266269754 790369723 /nfs/dbraw/zinc/36/97/23/790369723.db2.gz DSMQADQLNCUBDZ-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=O)N(C)CC ZINC001266269754 790369734 /nfs/dbraw/zinc/36/97/34/790369734.db2.gz DSMQADQLNCUBDZ-UHFFFAOYSA-N 1 2 267.373 0.316 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C2C=CC=CC=C2)CC1 ZINC001266285624 790406980 /nfs/dbraw/zinc/40/69/80/790406980.db2.gz GRNBDEOTYPDAGJ-UHFFFAOYSA-N 1 2 285.391 0.652 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CSC(C)C)C1 ZINC001266302215 790468451 /nfs/dbraw/zinc/46/84/51/790468451.db2.gz LGLZVPPTIJTFRH-LBPRGKRZSA-N 1 2 297.424 0.068 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C1 ZINC001266302215 790468455 /nfs/dbraw/zinc/46/84/55/790468455.db2.gz LGLZVPPTIJTFRH-LBPRGKRZSA-N 1 2 297.424 0.068 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001266308228 790483066 /nfs/dbraw/zinc/48/30/66/790483066.db2.gz RTISTSAKHORDLK-ZDUSSCGKSA-N 1 2 292.383 0.622 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001266308228 790483069 /nfs/dbraw/zinc/48/30/69/790483069.db2.gz RTISTSAKHORDLK-ZDUSSCGKSA-N 1 2 292.383 0.622 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001266318054 790495513 /nfs/dbraw/zinc/49/55/13/790495513.db2.gz XYWGGTNUFOSUBW-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001266318054 790495521 /nfs/dbraw/zinc/49/55/21/790495521.db2.gz XYWGGTNUFOSUBW-KGLIPLIRSA-N 1 2 293.411 0.753 20 30 CCEDLO Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174007 790581678 /nfs/dbraw/zinc/58/16/78/790581678.db2.gz DMLUCMQXTAWHDE-ZDUSSCGKSA-N 1 2 298.350 0.624 20 30 CCEDLO NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361383 790589187 /nfs/dbraw/zinc/58/91/87/790589187.db2.gz MDLHWCADJCZYTG-CQSZACIVSA-N 1 2 285.347 0.104 20 30 CCEDLO NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361383 790589195 /nfs/dbraw/zinc/58/91/95/790589195.db2.gz MDLHWCADJCZYTG-CQSZACIVSA-N 1 2 285.347 0.104 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CC)[C@H]2C1 ZINC001083199039 790764031 /nfs/dbraw/zinc/76/40/31/790764031.db2.gz DXYLCEXMWQXAIH-YIYPIFLZSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CC)[C@H]2C1 ZINC001083199039 790764034 /nfs/dbraw/zinc/76/40/34/790764034.db2.gz DXYLCEXMWQXAIH-YIYPIFLZSA-N 1 2 262.353 0.577 20 30 CCEDLO C#Cc1cc(Nc2cnn(CS(C)(=O)=O)c2)cc[nH+]1 ZINC001210783890 790960391 /nfs/dbraw/zinc/96/03/91/790960391.db2.gz GOIDJZCXZPTPLQ-UHFFFAOYSA-N 1 2 276.321 0.427 20 30 CCEDLO C=CCOCC(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001266657038 791088646 /nfs/dbraw/zinc/08/86/46/791088646.db2.gz LWEOVKFCMKWFID-SNVBAGLBSA-N 1 2 282.344 0.690 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)COCCC ZINC001231085783 805728131 /nfs/dbraw/zinc/72/81/31/805728131.db2.gz LTYMNDBQRNCIAB-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)COCCC ZINC001231085783 805728135 /nfs/dbraw/zinc/72/81/35/805728135.db2.gz LTYMNDBQRNCIAB-CYBMUJFWSA-N 1 2 297.399 0.248 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001231246944 805759493 /nfs/dbraw/zinc/75/94/93/805759493.db2.gz JBLLNFUBPUMHBP-RYUDHWBXSA-N 1 2 294.399 0.593 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001231246944 805759499 /nfs/dbraw/zinc/75/94/99/805759499.db2.gz JBLLNFUBPUMHBP-RYUDHWBXSA-N 1 2 294.399 0.593 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)CC(N)=O)C1 ZINC001277637581 805914396 /nfs/dbraw/zinc/91/43/96/805914396.db2.gz ZGHVAOLCJNUAFM-SNVBAGLBSA-N 1 2 253.346 0.217 20 30 CCEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001233047940 806011994 /nfs/dbraw/zinc/01/19/94/806011994.db2.gz QXYFMDZPGCNQOU-UHFFFAOYSA-N 1 2 274.324 0.367 20 30 CCEDLO CN1CCC[N@H+](Cc2ccc(C#N)cc2O)CC1=O ZINC001233386340 806052178 /nfs/dbraw/zinc/05/21/78/806052178.db2.gz PYLAKZLMVYSSPE-UHFFFAOYSA-N 1 2 259.309 0.928 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1nnc[nH]1 ZINC001233531486 806077528 /nfs/dbraw/zinc/07/75/28/806077528.db2.gz ZRSCRVXKYPSHTL-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1nnc[nH]1 ZINC001233531486 806077536 /nfs/dbraw/zinc/07/75/36/806077536.db2.gz ZRSCRVXKYPSHTL-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233531486 806077543 /nfs/dbraw/zinc/07/75/43/806077543.db2.gz ZRSCRVXKYPSHTL-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 ZINC001233531486 806077553 /nfs/dbraw/zinc/07/75/53/806077553.db2.gz ZRSCRVXKYPSHTL-LBPRGKRZSA-N 1 2 275.356 0.293 20 30 CCEDLO CCCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267188067 791641635 /nfs/dbraw/zinc/64/16/35/791641635.db2.gz CXMFKQWBYFOFTL-NSHDSACASA-N 1 2 268.361 0.110 20 30 CCEDLO CCCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001267188067 791641637 /nfs/dbraw/zinc/64/16/37/791641637.db2.gz CXMFKQWBYFOFTL-NSHDSACASA-N 1 2 268.361 0.110 20 30 CCEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001267189513 791644600 /nfs/dbraw/zinc/64/46/00/791644600.db2.gz WPSFDDWZACZGHT-UHFFFAOYSA-N 1 2 278.356 0.536 20 30 CCEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001267189513 791644604 /nfs/dbraw/zinc/64/46/04/791644604.db2.gz WPSFDDWZACZGHT-UHFFFAOYSA-N 1 2 278.356 0.536 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)nc3)[C@H]2C1 ZINC001083253057 791675459 /nfs/dbraw/zinc/67/54/59/791675459.db2.gz UPSRYYBXNQKVBE-JKSUJKDBSA-N 1 2 295.342 0.221 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C#C)nc3)[C@H]2C1 ZINC001083253057 791675463 /nfs/dbraw/zinc/67/54/63/791675463.db2.gz UPSRYYBXNQKVBE-JKSUJKDBSA-N 1 2 295.342 0.221 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(F)(F)F ZINC001267213100 791682206 /nfs/dbraw/zinc/68/22/06/791682206.db2.gz ZVRVGKCMVQMVSU-VIFPVBQESA-N 1 2 295.305 0.535 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(F)(F)F ZINC001267213100 791682209 /nfs/dbraw/zinc/68/22/09/791682209.db2.gz ZVRVGKCMVQMVSU-VIFPVBQESA-N 1 2 295.305 0.535 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233599920 806089508 /nfs/dbraw/zinc/08/95/08/806089508.db2.gz FZZWGGWZQVUVTH-AWEZNQCLSA-N 1 2 289.379 0.379 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233599920 806089516 /nfs/dbraw/zinc/08/95/16/806089516.db2.gz FZZWGGWZQVUVTH-AWEZNQCLSA-N 1 2 289.379 0.379 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233683559 806107340 /nfs/dbraw/zinc/10/73/40/806107340.db2.gz RUHKIKGUPCZVAA-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001233683559 806107346 /nfs/dbraw/zinc/10/73/46/806107346.db2.gz RUHKIKGUPCZVAA-LSDHHAIUSA-N 1 2 294.395 0.738 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233948540 806156474 /nfs/dbraw/zinc/15/64/74/806156474.db2.gz XWAAIHGEIWCXEJ-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233948540 806156476 /nfs/dbraw/zinc/15/64/76/806156476.db2.gz XWAAIHGEIWCXEJ-LBPRGKRZSA-N 1 2 265.357 0.069 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001234162226 806193844 /nfs/dbraw/zinc/19/38/44/806193844.db2.gz QJRHUUVSJQUZNK-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001234162226 806193847 /nfs/dbraw/zinc/19/38/47/806193847.db2.gz QJRHUUVSJQUZNK-ZIAGYGMSSA-N 1 2 291.395 0.457 20 30 CCEDLO C=CCOC[C@H](O)CN1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001246030147 807126969 /nfs/dbraw/zinc/12/69/69/807126969.db2.gz FAZPCUVBSBACIU-ZJUUUORDSA-N 1 2 250.289 0.218 20 30 CCEDLO N#CCNC[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277883564 806299194 /nfs/dbraw/zinc/29/91/94/806299194.db2.gz KJVBJBSIOIFFKT-JSGCOSHPSA-N 1 2 287.367 0.550 20 30 CCEDLO CCC[N@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235718095 806496401 /nfs/dbraw/zinc/49/64/01/806496401.db2.gz CFXHBATZFLZKPY-RNJOBUHISA-N 1 2 284.356 0.849 20 30 CCEDLO CCC[N@@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235718095 806496407 /nfs/dbraw/zinc/49/64/07/806496407.db2.gz CFXHBATZFLZKPY-RNJOBUHISA-N 1 2 284.356 0.849 20 30 CCEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1csc(C)n1 ZINC001278072690 806651024 /nfs/dbraw/zinc/65/10/24/806651024.db2.gz VMQTXCSIRTUIGG-GFCCVEGCSA-N 1 2 295.408 0.822 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)CNCC(F)(F)C(F)F ZINC001120511817 798841653 /nfs/dbraw/zinc/84/16/53/798841653.db2.gz WVBLNYXXVVWOTB-QMMMGPOBSA-N 1 2 271.258 0.683 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCC(F)(F)C(F)F ZINC001120511817 798841654 /nfs/dbraw/zinc/84/16/54/798841654.db2.gz WVBLNYXXVVWOTB-QMMMGPOBSA-N 1 2 271.258 0.683 20 30 CCEDLO CN1CCC2(C[NH+](Cc3cn4cc(C#N)ccc4n3)C2)C1=O ZINC001237607400 806699528 /nfs/dbraw/zinc/69/95/28/806699528.db2.gz AXTPBVSBAHCQEN-UHFFFAOYSA-N 1 2 295.346 0.870 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123799101 799476075 /nfs/dbraw/zinc/47/60/75/799476075.db2.gz IUBWBHASGCAIHG-MRVPVSSYSA-N 1 2 283.357 0.402 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001124640442 799621920 /nfs/dbraw/zinc/62/19/20/799621920.db2.gz GTLNQCBUPGHSGT-UHFFFAOYSA-N 1 2 252.318 0.804 20 30 CCEDLO C=C[C@@H](CO)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142225624 800101177 /nfs/dbraw/zinc/10/11/77/800101177.db2.gz IXNFNANXOABFSP-NSHDSACASA-N 1 2 266.366 0.769 20 30 CCEDLO C=C[C@@H](CO)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142225624 800101179 /nfs/dbraw/zinc/10/11/79/800101179.db2.gz IXNFNANXOABFSP-NSHDSACASA-N 1 2 266.366 0.769 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001150210205 800322871 /nfs/dbraw/zinc/32/28/71/800322871.db2.gz BTMSPIZPAGLDKR-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001150210205 800322878 /nfs/dbraw/zinc/32/28/78/800322878.db2.gz BTMSPIZPAGLDKR-CYBMUJFWSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CC[NH2+]CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC001152652265 800545494 /nfs/dbraw/zinc/54/54/94/800545494.db2.gz CWCSFWYYDFNFIN-UHFFFAOYSA-N 1 2 269.308 0.424 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001153080700 800593545 /nfs/dbraw/zinc/59/35/45/800593545.db2.gz CKGGLFYLRJYUKU-UHFFFAOYSA-N 1 2 267.329 0.782 20 30 CCEDLO C=CCCOCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001153091198 800596277 /nfs/dbraw/zinc/59/62/77/800596277.db2.gz HMGYKQPFJWDPJI-JTQLQIEISA-N 1 2 282.344 0.738 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154223229 800737934 /nfs/dbraw/zinc/73/79/34/800737934.db2.gz QOSLYZRSKTWHHI-QMMMGPOBSA-N 1 2 267.354 0.408 20 30 CCEDLO C=C[C@@H](CO)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154223229 800737938 /nfs/dbraw/zinc/73/79/38/800737938.db2.gz QOSLYZRSKTWHHI-QMMMGPOBSA-N 1 2 267.354 0.408 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncnc(Cl)c2C#N)C1 ZINC001155194490 800927458 /nfs/dbraw/zinc/92/74/58/800927458.db2.gz QFEMPQOWVVLXEM-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncnc(Cl)c2C#N)C1 ZINC001155194490 800927464 /nfs/dbraw/zinc/92/74/64/800927464.db2.gz QFEMPQOWVVLXEM-MRVPVSSYSA-N 1 2 267.720 0.744 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nsc(N(C)C)n1 ZINC001155827671 801059558 /nfs/dbraw/zinc/05/95/58/801059558.db2.gz DJNLGJMKCWSQQF-VIFPVBQESA-N 1 2 296.400 0.360 20 30 CCEDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001206660056 801117166 /nfs/dbraw/zinc/11/71/66/801117166.db2.gz VHQUWWZFQYMCLH-HOSYDEDBSA-N 1 2 292.339 0.779 20 30 CCEDLO COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)on1 ZINC001206660056 801117169 /nfs/dbraw/zinc/11/71/69/801117169.db2.gz VHQUWWZFQYMCLH-HOSYDEDBSA-N 1 2 292.339 0.779 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001156485169 801174530 /nfs/dbraw/zinc/17/45/30/801174530.db2.gz BYMVYGZCFIBVSS-GXTWGEPZSA-N 1 2 270.373 0.493 20 30 CCEDLO CCOC(=O)[C@@H](C#N)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979433 801279598 /nfs/dbraw/zinc/27/95/98/801279598.db2.gz OOFZIEIJKUYIEM-SNVBAGLBSA-N 1 2 287.279 0.330 20 30 CCEDLO CCN(CCn1cc[nH+]c1)c1cnc(C#N)c(C#N)n1 ZINC001157466948 801393727 /nfs/dbraw/zinc/39/37/27/801393727.db2.gz QNXADGTYNJTJFW-UHFFFAOYSA-N 1 2 267.296 0.943 20 30 CCEDLO N#CCc1cc[nH+]c(N2CCN(c3ncncn3)CC2)c1 ZINC001157858276 801504075 /nfs/dbraw/zinc/50/40/75/801504075.db2.gz WYJNIBDOVYPLKP-UHFFFAOYSA-N 1 2 281.323 0.659 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C)c(C#N)n2)C[NH2+]1 ZINC001158253807 801603869 /nfs/dbraw/zinc/60/38/69/801603869.db2.gz CXYACNFDMZZBML-ZJUUUORDSA-N 1 2 260.297 0.577 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc2c(C#N)c[nH]c2n1 ZINC001158707588 801689568 /nfs/dbraw/zinc/68/95/68/801689568.db2.gz QNPOQOXSHZRUIA-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNc1ncc2c(C#N)c[nH]c2n1 ZINC001158707588 801689570 /nfs/dbraw/zinc/68/95/70/801689570.db2.gz QNPOQOXSHZRUIA-JTQLQIEISA-N 1 2 272.312 0.572 20 30 CCEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cncc(CC#N)n1 ZINC001159299905 801786437 /nfs/dbraw/zinc/78/64/37/801786437.db2.gz GEFWBVQTSQIVGC-UHFFFAOYSA-N 1 2 258.285 0.244 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCCCn1cc[nH+]c1 ZINC001255020096 808309281 /nfs/dbraw/zinc/30/92/81/808309281.db2.gz XVWOFTGXAGDFKB-LLVKDONJSA-N 1 2 252.318 0.773 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc3cc(C#N)ccc32)C[NH2+]1 ZINC001164302627 802714678 /nfs/dbraw/zinc/71/46/78/802714678.db2.gz ZNGLUSWITSQLST-GWCFXTLKSA-N 1 2 297.318 0.817 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)cc(C)c2C#N)C[NH2+]1 ZINC001164308519 802716814 /nfs/dbraw/zinc/71/68/14/802716814.db2.gz NRDZMYYCWRGEMQ-JQWIXIFHSA-N 1 2 274.324 0.886 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(OC)ccc2C#N)C[NH2+]1 ZINC001164312625 802719248 /nfs/dbraw/zinc/71/92/48/802719248.db2.gz TYTPREMIQGZDEV-UWVGGRQHSA-N 1 2 276.296 0.277 20 30 CCEDLO CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276421284 803044957 /nfs/dbraw/zinc/04/49/57/803044957.db2.gz HZVIWOYZIXHJRJ-LLVKDONJSA-N 1 2 294.399 0.499 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001203764220 803044975 /nfs/dbraw/zinc/04/49/75/803044975.db2.gz FHDQNCXEYCONBT-AWEZNQCLSA-N 1 2 271.320 0.601 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001203764220 803044980 /nfs/dbraw/zinc/04/49/80/803044980.db2.gz FHDQNCXEYCONBT-AWEZNQCLSA-N 1 2 271.320 0.601 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001268960715 813163040 /nfs/dbraw/zinc/16/30/40/813163040.db2.gz ZWUBGOLEISYODZ-IHRRRGAJSA-N 1 2 291.395 0.600 20 30 CCEDLO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001268960715 813163042 /nfs/dbraw/zinc/16/30/42/813163042.db2.gz ZWUBGOLEISYODZ-IHRRRGAJSA-N 1 2 291.395 0.600 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001205700984 803160362 /nfs/dbraw/zinc/16/03/62/803160362.db2.gz GJQHXENSBKULBG-OPRDCNLKSA-N 1 2 289.326 0.379 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001205700984 803160365 /nfs/dbraw/zinc/16/03/65/803160365.db2.gz GJQHXENSBKULBG-OPRDCNLKSA-N 1 2 289.326 0.379 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001269401448 813358760 /nfs/dbraw/zinc/35/87/60/813358760.db2.gz CVIJFGXMLFUOJK-ZDUSSCGKSA-N 1 2 294.355 0.444 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951224 814942440 /nfs/dbraw/zinc/94/24/40/814942440.db2.gz AIXUXFLWHBKGDZ-CHWSQXEVSA-N 1 2 284.425 0.968 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951224 814942448 /nfs/dbraw/zinc/94/24/48/814942448.db2.gz AIXUXFLWHBKGDZ-CHWSQXEVSA-N 1 2 284.425 0.968 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@H](OC)C1 ZINC001213787517 803703351 /nfs/dbraw/zinc/70/33/51/803703351.db2.gz DGBVGWQEFYDATO-KFWWJZLASA-N 1 2 294.395 0.640 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)[C@H](OC)C1 ZINC001213787517 803703356 /nfs/dbraw/zinc/70/33/56/803703356.db2.gz DGBVGWQEFYDATO-KFWWJZLASA-N 1 2 294.395 0.640 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC)C[C@H]1OC ZINC001211999831 814974254 /nfs/dbraw/zinc/97/42/54/814974254.db2.gz ZJBGANQZRMSDHW-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCC)C[C@H]1OC ZINC001211999831 814974257 /nfs/dbraw/zinc/97/42/57/814974257.db2.gz ZJBGANQZRMSDHW-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OCC)[C@H]2C1 ZINC001218497662 803963888 /nfs/dbraw/zinc/96/38/88/803963888.db2.gz KEGBSXZNKUMQJC-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)OCC)[C@H]2C1 ZINC001218497662 803963893 /nfs/dbraw/zinc/96/38/93/803963893.db2.gz KEGBSXZNKUMQJC-SOUVJXGZSA-N 1 2 294.395 0.736 20 30 CCEDLO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001272109744 815015941 /nfs/dbraw/zinc/01/59/41/815015941.db2.gz SBWNORFKLPYRPB-OKILXGFUSA-N 1 2 291.395 0.553 20 30 CCEDLO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001272109744 815015948 /nfs/dbraw/zinc/01/59/48/815015948.db2.gz SBWNORFKLPYRPB-OKILXGFUSA-N 1 2 291.395 0.553 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@@H](O)C1 ZINC001219782460 804423987 /nfs/dbraw/zinc/42/39/87/804423987.db2.gz SFBNKGJSBPDPEV-MXWKQRLJSA-N 1 2 274.311 0.462 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@@H](O)C1 ZINC001219782460 804423990 /nfs/dbraw/zinc/42/39/90/804423990.db2.gz SFBNKGJSBPDPEV-MXWKQRLJSA-N 1 2 274.311 0.462 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220201243 804535596 /nfs/dbraw/zinc/53/55/96/804535596.db2.gz JXQVMSMOYWVSSS-UTUOFQBUSA-N 1 2 258.337 0.720 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220201243 804535601 /nfs/dbraw/zinc/53/56/01/804535601.db2.gz JXQVMSMOYWVSSS-UTUOFQBUSA-N 1 2 258.337 0.720 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220436251 804604180 /nfs/dbraw/zinc/60/41/80/804604180.db2.gz UETUXBPBYHNOMB-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220436251 804604184 /nfs/dbraw/zinc/60/41/84/804604184.db2.gz UETUXBPBYHNOMB-WOPDTQHZSA-N 1 2 297.399 0.014 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@@H](O)C1 ZINC001220626743 804638778 /nfs/dbraw/zinc/63/87/78/804638778.db2.gz RNBPCOVQANUUJN-UPJWGTAASA-N 1 2 252.358 0.463 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@@H](O)C1 ZINC001220626743 804638781 /nfs/dbraw/zinc/63/87/81/804638781.db2.gz RNBPCOVQANUUJN-UPJWGTAASA-N 1 2 252.358 0.463 20 30 CCEDLO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446293 804819496 /nfs/dbraw/zinc/81/94/96/804819496.db2.gz DJCDITYHVKSGQC-JHJVBQTASA-N 1 2 292.383 0.203 20 30 CCEDLO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001221446293 804819504 /nfs/dbraw/zinc/81/95/04/804819504.db2.gz DJCDITYHVKSGQC-JHJVBQTASA-N 1 2 292.383 0.203 20 30 CCEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001221612240 804834984 /nfs/dbraw/zinc/83/49/84/804834984.db2.gz WHWLJSNNRZZWKA-CHWSQXEVSA-N 1 2 289.379 0.198 20 30 CCEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CCC1 ZINC001221612240 804834990 /nfs/dbraw/zinc/83/49/90/804834990.db2.gz WHWLJSNNRZZWKA-CHWSQXEVSA-N 1 2 289.379 0.198 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738499 804841082 /nfs/dbraw/zinc/84/10/82/804841082.db2.gz KAFQCPPTTXLSGP-JHJVBQTASA-N 1 2 297.374 0.569 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738499 804841090 /nfs/dbraw/zinc/84/10/90/804841090.db2.gz KAFQCPPTTXLSGP-JHJVBQTASA-N 1 2 297.374 0.569 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001276836388 804933288 /nfs/dbraw/zinc/93/32/88/804933288.db2.gz WPZVJKJYWVDJKC-DZGCQCFKSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001276836388 804933291 /nfs/dbraw/zinc/93/32/91/804933291.db2.gz WPZVJKJYWVDJKC-DZGCQCFKSA-N 1 2 292.383 0.438 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001276862794 804952735 /nfs/dbraw/zinc/95/27/35/804952735.db2.gz XTXVSUNRGSLCMM-RYUDHWBXSA-N 1 2 267.373 0.668 20 30 CCEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001276862794 804952740 /nfs/dbraw/zinc/95/27/40/804952740.db2.gz XTXVSUNRGSLCMM-RYUDHWBXSA-N 1 2 267.373 0.668 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001276898476 804979340 /nfs/dbraw/zinc/97/93/40/804979340.db2.gz KVJJEBWKLMPWDW-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001276898476 804979346 /nfs/dbraw/zinc/97/93/46/804979346.db2.gz KVJJEBWKLMPWDW-WDEREUQCSA-N 1 2 267.373 0.653 20 30 CCEDLO CN(C)C(=O)C[NH+]1CC2(CN(c3ccccc3C#N)C2)C1 ZINC001276954177 805016456 /nfs/dbraw/zinc/01/64/56/805016456.db2.gz XXRKETFGUGEZGL-UHFFFAOYSA-N 1 2 284.363 0.768 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccc[nH+]c1N ZINC001224763467 805075215 /nfs/dbraw/zinc/07/52/15/805075215.db2.gz PUSYABLQLBFAEK-UHFFFAOYSA-N 1 2 298.368 0.064 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225633547 805146116 /nfs/dbraw/zinc/14/61/16/805146116.db2.gz QDTRDVDGQDUSPJ-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225633547 805146120 /nfs/dbraw/zinc/14/61/20/805146120.db2.gz QDTRDVDGQDUSPJ-NJFCNUMCSA-N 1 2 277.280 0.981 20 30 CCEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2ccnnc2)C3)CCC1 ZINC001277211183 805355699 /nfs/dbraw/zinc/35/56/99/805355699.db2.gz FKTTXTYAVQDCER-ZDUSSCGKSA-N 1 2 297.362 0.861 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001227655713 805375509 /nfs/dbraw/zinc/37/55/09/805375509.db2.gz RWPIFNWBHXRHJP-CHWSQXEVSA-N 1 2 289.383 0.893 20 30 CCEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(=O)[nH]c4c3COC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227686047 805378522 /nfs/dbraw/zinc/37/85/22/805378522.db2.gz FASRSVBPDTVIIL-PDTZJJQMSA-N 1 2 291.307 0.204 20 30 CCEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(=O)[nH]c4c3COC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227686047 805378528 /nfs/dbraw/zinc/37/85/28/805378528.db2.gz FASRSVBPDTVIIL-PDTZJJQMSA-N 1 2 291.307 0.204 20 30 CCEDLO Cc1cc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)[nH]n1 ZINC001277349837 805497484 /nfs/dbraw/zinc/49/74/84/805497484.db2.gz AOYVKSABKWOBLC-CQSZACIVSA-N 1 2 299.378 0.912 20 30 CCEDLO C=CCCNC(=S)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001277399371 805542766 /nfs/dbraw/zinc/54/27/66/805542766.db2.gz LHKZAJSMOJGAJA-UHFFFAOYSA-N 1 2 291.424 0.978 20 30 CCEDLO CC(C)[NH+]1CC(Oc2cc(C(=O)NO)ccc2O)C1 ZINC001229969269 805570644 /nfs/dbraw/zinc/57/06/44/805570644.db2.gz YEFCEBOTZZFQDI-UHFFFAOYSA-N 1 2 266.297 0.983 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246036195 807129834 /nfs/dbraw/zinc/12/98/34/807129834.db2.gz JZJQJTSWWIMNSN-NSHDSACASA-N 1 2 251.330 0.518 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCn2cnc(CO)c2C1 ZINC001246036195 807129841 /nfs/dbraw/zinc/12/98/41/807129841.db2.gz JZJQJTSWWIMNSN-NSHDSACASA-N 1 2 251.330 0.518 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](O)C1 ZINC001083471479 815124925 /nfs/dbraw/zinc/12/49/25/815124925.db2.gz YEBZGEHNZGPIBE-ZJUUUORDSA-N 1 2 297.380 0.503 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](O)C1 ZINC001083471479 815124930 /nfs/dbraw/zinc/12/49/30/815124930.db2.gz YEBZGEHNZGPIBE-ZJUUUORDSA-N 1 2 297.380 0.503 20 30 CCEDLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C#N)cn2)no1 ZINC001249277047 807550390 /nfs/dbraw/zinc/55/03/90/807550390.db2.gz JIGWWBCHGQDHKW-ONGXEEELSA-N 1 2 271.280 0.741 20 30 CCEDLO C[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C#N)cn2)no1 ZINC001249277047 807550393 /nfs/dbraw/zinc/55/03/93/807550393.db2.gz JIGWWBCHGQDHKW-ONGXEEELSA-N 1 2 271.280 0.741 20 30 CCEDLO N#C[C@@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001251002746 807635163 /nfs/dbraw/zinc/63/51/63/807635163.db2.gz VBPHFZUKLCVAAV-HUUCEWRRSA-N 1 2 275.352 0.534 20 30 CCEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)s1 ZINC001251011554 807641433 /nfs/dbraw/zinc/64/14/33/807641433.db2.gz MYTDOHNPXRVGLL-SNVBAGLBSA-N 1 2 267.354 0.725 20 30 CCEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(O)c1 ZINC001251028548 807647807 /nfs/dbraw/zinc/64/78/07/807647807.db2.gz IVWUYLREPMMAFY-LBPRGKRZSA-N 1 2 277.324 0.369 20 30 CCEDLO N#Cc1cc(F)c(NC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC001251028181 807648232 /nfs/dbraw/zinc/64/82/32/807648232.db2.gz YODKFSRWAVFCDX-NSHDSACASA-N 1 2 297.305 0.941 20 30 CCEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126834162 815148247 /nfs/dbraw/zinc/14/82/47/815148247.db2.gz LGIPQWUYSPAGOF-SNVBAGLBSA-N 1 2 264.329 0.804 20 30 CCEDLO C=CCC[C@H](O)C[NH2+]Cc1ncc(S(=O)(=O)CC)cn1 ZINC001252620795 807921986 /nfs/dbraw/zinc/92/19/86/807921986.db2.gz ZMBINRPEEGXHHZ-NSHDSACASA-N 1 2 299.396 0.687 20 30 CCEDLO C=CCC[C@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252623282 807922160 /nfs/dbraw/zinc/92/21/60/807922160.db2.gz IHKMBAFTNPQPFG-KBPBESRZSA-N 1 2 295.383 0.811 20 30 CCEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571828 808082005 /nfs/dbraw/zinc/08/20/05/808082005.db2.gz JYRSBZUPDQOWPO-VXGBXAGGSA-N 1 2 286.372 0.759 20 30 CCEDLO C=C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001253571828 808082009 /nfs/dbraw/zinc/08/20/09/808082009.db2.gz JYRSBZUPDQOWPO-VXGBXAGGSA-N 1 2 286.372 0.759 20 30 CCEDLO CCOC(=O)C[NH+]1CCC(N2CC(C#N)C2)CC1 ZINC001254402633 808235519 /nfs/dbraw/zinc/23/55/19/808235519.db2.gz WBHOCXYGYKOQHH-UHFFFAOYSA-N 1 2 251.330 0.469 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@@H](O)C1 ZINC001083517659 815198922 /nfs/dbraw/zinc/19/89/22/815198922.db2.gz MFXZNIPLOYTBEL-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2C(C)C)[C@@H](O)C1 ZINC001083517659 815198923 /nfs/dbraw/zinc/19/89/23/815198923.db2.gz MFXZNIPLOYTBEL-NEPJUHHUSA-N 1 2 279.340 0.759 20 30 CCEDLO C=C(C)[C@@H](CC(=O)NCC1(O)C[NH+](CC)C1)OCC ZINC001278872288 808402780 /nfs/dbraw/zinc/40/27/80/808402780.db2.gz DXMUEALRTBNYFJ-GFCCVEGCSA-N 1 2 270.373 0.541 20 30 CCEDLO N#C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCOC1 ZINC001262015928 809156523 /nfs/dbraw/zinc/15/65/23/809156523.db2.gz DUHPPTBGVQBKON-CYBMUJFWSA-N 1 2 260.297 0.546 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCCNC(=O)c1cn[nH]n1 ZINC001265005851 809692179 /nfs/dbraw/zinc/69/21/79/809692179.db2.gz MIAVPILTOOFRRN-UHFFFAOYSA-N 1 2 257.725 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1cn[nH]n1 ZINC001265005851 809692182 /nfs/dbraw/zinc/69/21/82/809692182.db2.gz MIAVPILTOOFRRN-UHFFFAOYSA-N 1 2 257.725 0.609 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001265005851 809692185 /nfs/dbraw/zinc/69/21/85/809692185.db2.gz MIAVPILTOOFRRN-UHFFFAOYSA-N 1 2 257.725 0.609 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001265005851 809692190 /nfs/dbraw/zinc/69/21/90/809692190.db2.gz MIAVPILTOOFRRN-UHFFFAOYSA-N 1 2 257.725 0.609 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC(C)(C)C)C1 ZINC001265279033 809743930 /nfs/dbraw/zinc/74/39/30/809743930.db2.gz MSYAOIGLPHVLPW-LBPRGKRZSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC(C)(C)C)C1 ZINC001265279033 809743931 /nfs/dbraw/zinc/74/39/31/809743931.db2.gz MSYAOIGLPHVLPW-LBPRGKRZSA-N 1 2 297.399 0.294 20 30 CCEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)CSCC#N)o1 ZINC001265754339 809840624 /nfs/dbraw/zinc/84/06/24/809840624.db2.gz CFRQDUDHRZCTQC-BDAKNGLRSA-N 1 2 297.384 0.790 20 30 CCEDLO N#CCNC[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265990904 809914241 /nfs/dbraw/zinc/91/42/41/809914241.db2.gz WNOPRSKCDRNUTQ-CHWSQXEVSA-N 1 2 287.367 0.407 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001280469591 810024284 /nfs/dbraw/zinc/02/42/84/810024284.db2.gz FGABCKZPPWRECG-ZDUSSCGKSA-N 1 2 290.367 0.506 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 ZINC001076686903 815346010 /nfs/dbraw/zinc/34/60/10/815346010.db2.gz XCUBVZLVADTFCW-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 ZINC001076686903 815346014 /nfs/dbraw/zinc/34/60/14/815346014.db2.gz XCUBVZLVADTFCW-CHWSQXEVSA-N 1 2 262.284 0.234 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001076887344 815405449 /nfs/dbraw/zinc/40/54/49/815405449.db2.gz YSYXQICXMLGZFV-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001076887344 815405453 /nfs/dbraw/zinc/40/54/53/815405453.db2.gz YSYXQICXMLGZFV-CHWSQXEVSA-N 1 2 276.336 0.695 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457242 811144399 /nfs/dbraw/zinc/14/43/99/811144399.db2.gz KZABHJYLFSHIHH-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457242 811144402 /nfs/dbraw/zinc/14/44/02/811144402.db2.gz KZABHJYLFSHIHH-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457242 811144408 /nfs/dbraw/zinc/14/44/08/811144408.db2.gz KZABHJYLFSHIHH-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001023457242 811144415 /nfs/dbraw/zinc/14/44/15/811144415.db2.gz KZABHJYLFSHIHH-JTQLQIEISA-N 1 2 283.763 0.999 20 30 CCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC#N ZINC000355672975 811241157 /nfs/dbraw/zinc/24/11/57/811241157.db2.gz SNYQVQKSRGUBQI-NWDGAFQWSA-N 1 2 266.345 0.405 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001077040082 815435335 /nfs/dbraw/zinc/43/53/35/815435335.db2.gz AVEIYYLNDIDELQ-CHWSQXEVSA-N 1 2 276.311 0.542 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001077040082 815435339 /nfs/dbraw/zinc/43/53/39/815435339.db2.gz AVEIYYLNDIDELQ-CHWSQXEVSA-N 1 2 276.311 0.542 20 30 CCEDLO N#Cc1cnccc1N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001058562052 811319657 /nfs/dbraw/zinc/31/96/57/811319657.db2.gz AZAXMUHXJSGGMK-GFCCVEGCSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[NH2+][C@H](CNC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC001267523606 811403687 /nfs/dbraw/zinc/40/36/87/811403687.db2.gz VPFXDDOSARTLTE-CYBMUJFWSA-N 1 2 298.346 0.820 20 30 CCEDLO C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001267528757 811409538 /nfs/dbraw/zinc/40/95/38/811409538.db2.gz OYZLJHSRDBVJKR-BETUJISGSA-N 1 2 295.383 0.130 20 30 CCEDLO C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001267528757 811409544 /nfs/dbraw/zinc/40/95/44/811409544.db2.gz OYZLJHSRDBVJKR-BETUJISGSA-N 1 2 295.383 0.130 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC(C)=O)cn1 ZINC001038317810 811430027 /nfs/dbraw/zinc/43/00/27/811430027.db2.gz GDEKYWIIZSNZRU-ZDUSSCGKSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(C)=O)cn1 ZINC001038317810 811430032 /nfs/dbraw/zinc/43/00/32/811430032.db2.gz GDEKYWIIZSNZRU-ZDUSSCGKSA-N 1 2 286.335 0.477 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001077110168 815447652 /nfs/dbraw/zinc/44/76/52/815447652.db2.gz FQTCRWAKARAYNE-NXEZZACHSA-N 1 2 296.758 0.170 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001077110168 815447654 /nfs/dbraw/zinc/44/76/54/815447654.db2.gz FQTCRWAKARAYNE-NXEZZACHSA-N 1 2 296.758 0.170 20 30 CCEDLO N#CCN1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267561987 811449795 /nfs/dbraw/zinc/44/97/95/811449795.db2.gz SGLIAXCUSFILPY-CYBMUJFWSA-N 1 2 275.356 0.625 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CCOCC1 ZINC001267573868 811466072 /nfs/dbraw/zinc/46/60/72/811466072.db2.gz NNCHMYIMYNAXBL-UHFFFAOYSA-N 1 2 294.399 0.013 20 30 CCEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CCOC2)CC1 ZINC001267573772 811466509 /nfs/dbraw/zinc/46/65/09/811466509.db2.gz LMNSKQSOVFGISQ-OAHLLOKOSA-N 1 2 295.427 0.675 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001267616912 811572625 /nfs/dbraw/zinc/57/26/25/811572625.db2.gz GHQJBAAHBRBHOB-CHWSQXEVSA-N 1 2 291.395 0.669 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001267616912 811572629 /nfs/dbraw/zinc/57/26/29/811572629.db2.gz GHQJBAAHBRBHOB-CHWSQXEVSA-N 1 2 291.395 0.669 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2oncc2C)C1 ZINC001267619708 811577272 /nfs/dbraw/zinc/57/72/72/811577272.db2.gz ZLJKUJIMYCBKBY-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2oncc2C)C1 ZINC001267619708 811577274 /nfs/dbraw/zinc/57/72/74/811577274.db2.gz ZLJKUJIMYCBKBY-CYBMUJFWSA-N 1 2 291.351 0.827 20 30 CCEDLO C#CCOCCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001267645142 811611248 /nfs/dbraw/zinc/61/12/48/811611248.db2.gz MUXCYJQJMFUZAV-GXTWGEPZSA-N 1 2 280.368 0.394 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719892 811683683 /nfs/dbraw/zinc/68/36/83/811683683.db2.gz RYAPHCYXBQYJMK-UWUHSAQLSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719892 811683686 /nfs/dbraw/zinc/68/36/86/811683686.db2.gz RYAPHCYXBQYJMK-UWUHSAQLSA-N 1 2 279.384 0.835 20 30 CCEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nnc(C)o1 ZINC001267801275 811797056 /nfs/dbraw/zinc/79/70/56/811797056.db2.gz SQLMUFJBZUCYSZ-WCBMZHEXSA-N 1 2 265.317 0.522 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001077314411 815480539 /nfs/dbraw/zinc/48/05/39/815480539.db2.gz NRMFWLWOFAAMSO-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001077314411 815480541 /nfs/dbraw/zinc/48/05/41/815480541.db2.gz NRMFWLWOFAAMSO-HUUCEWRRSA-N 1 2 287.363 0.613 20 30 CCEDLO N#CCN[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222081821 811855637 /nfs/dbraw/zinc/85/56/37/811855637.db2.gz JXVUBROQMGDAEN-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3=CCCC3)C2)nn1 ZINC001105211670 811863831 /nfs/dbraw/zinc/86/38/31/811863831.db2.gz VMOFTXKZOWOFIN-UHFFFAOYSA-N 1 2 285.351 0.495 20 30 CCEDLO C[C@@H](CNCC#N)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268006210 811942886 /nfs/dbraw/zinc/94/28/86/811942886.db2.gz XTQFUVNWORYFPV-RYUDHWBXSA-N 1 2 263.345 0.700 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc(C)cn2)C1 ZINC001268029598 812025459 /nfs/dbraw/zinc/02/54/59/812025459.db2.gz WSRSTBJFQWWFFE-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCn2cc(C)cn2)C1 ZINC001268029598 812025472 /nfs/dbraw/zinc/02/54/72/812025472.db2.gz WSRSTBJFQWWFFE-AWEZNQCLSA-N 1 2 292.383 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](O)C1 ZINC001083587440 815506476 /nfs/dbraw/zinc/50/64/76/815506476.db2.gz VWUSXGFRGNRIKA-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](O)C1 ZINC001083587440 815506479 /nfs/dbraw/zinc/50/64/79/815506479.db2.gz VWUSXGFRGNRIKA-KGLIPLIRSA-N 1 2 273.336 0.052 20 30 CCEDLO N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027980982 812191052 /nfs/dbraw/zinc/19/10/52/812191052.db2.gz HTFAPSXRKZACJB-CHWSQXEVSA-N 1 2 287.367 0.550 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109524 812285010 /nfs/dbraw/zinc/28/50/10/812285010.db2.gz JRFQCXKQSQGAMZ-ZJUUUORDSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109524 812285016 /nfs/dbraw/zinc/28/50/16/812285016.db2.gz JRFQCXKQSQGAMZ-ZJUUUORDSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141067 812309176 /nfs/dbraw/zinc/30/91/76/812309176.db2.gz FILRPKBKZNKQSY-AXFHLTTASA-N 1 2 285.775 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141067 812309183 /nfs/dbraw/zinc/30/91/83/812309183.db2.gz FILRPKBKZNKQSY-AXFHLTTASA-N 1 2 285.775 0.441 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038899204 812321917 /nfs/dbraw/zinc/32/19/17/812321917.db2.gz LJDIYHFEEOWWEC-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001038899204 812321919 /nfs/dbraw/zinc/32/19/19/812321919.db2.gz LJDIYHFEEOWWEC-ZDUSSCGKSA-N 1 2 297.362 0.865 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038914993 812338140 /nfs/dbraw/zinc/33/81/40/812338140.db2.gz TYIYRELFDZHHPW-ZDUSSCGKSA-N 1 2 260.341 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038914993 812338150 /nfs/dbraw/zinc/33/81/50/812338150.db2.gz TYIYRELFDZHHPW-ZDUSSCGKSA-N 1 2 260.341 0.901 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268192978 812354049 /nfs/dbraw/zinc/35/40/49/812354049.db2.gz IGFCNNCONNDWME-JTQLQIEISA-N 1 2 287.791 0.831 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001268192978 812354057 /nfs/dbraw/zinc/35/40/57/812354057.db2.gz IGFCNNCONNDWME-JTQLQIEISA-N 1 2 287.791 0.831 20 30 CCEDLO C[C@H](CC(=O)N(C)C1CC(NCC#N)C1)n1cc[nH+]c1 ZINC001279294929 812370323 /nfs/dbraw/zinc/37/03/23/812370323.db2.gz LUUBXBKVDYBDIR-PNESKVBLSA-N 1 2 275.356 0.937 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001077425955 815526691 /nfs/dbraw/zinc/52/66/91/815526691.db2.gz OFZUUVZWVXULHL-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001077425955 815526695 /nfs/dbraw/zinc/52/66/95/815526695.db2.gz OFZUUVZWVXULHL-ZIAGYGMSSA-N 1 2 273.336 0.107 20 30 CCEDLO CCCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001268232033 812393837 /nfs/dbraw/zinc/39/38/37/812393837.db2.gz HKOSROFCGQHCFO-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO CCCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001268232033 812393839 /nfs/dbraw/zinc/39/38/39/812393839.db2.gz HKOSROFCGQHCFO-LBPRGKRZSA-N 1 2 282.388 0.453 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]cc1C ZINC001268256445 812423082 /nfs/dbraw/zinc/42/30/82/812423082.db2.gz GSWKSXMOKLJVMK-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]cc1C ZINC001268256445 812423087 /nfs/dbraw/zinc/42/30/87/812423087.db2.gz GSWKSXMOKLJVMK-UHFFFAOYSA-N 1 2 292.383 0.629 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](O)C1 ZINC001083604286 815531832 /nfs/dbraw/zinc/53/18/32/815531832.db2.gz PEYKOJRRATUNCW-CABCVRRESA-N 1 2 299.374 0.757 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](O)C1 ZINC001083604286 815531836 /nfs/dbraw/zinc/53/18/36/815531836.db2.gz PEYKOJRRATUNCW-CABCVRRESA-N 1 2 299.374 0.757 20 30 CCEDLO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001268303570 812466714 /nfs/dbraw/zinc/46/67/14/812466714.db2.gz GCZBGBPQSGWDBW-CMPLNLGQSA-N 1 2 294.355 0.309 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001268323344 812486484 /nfs/dbraw/zinc/48/64/84/812486484.db2.gz MTBINXDLKKXTLO-SMDDNHRTSA-N 1 2 296.371 0.547 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2cncs2)C1 ZINC001268326466 812489129 /nfs/dbraw/zinc/48/91/29/812489129.db2.gz DTEKNQVDVWTJOD-UHFFFAOYSA-N 1 2 281.381 0.689 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269421 812535996 /nfs/dbraw/zinc/53/59/96/812535996.db2.gz LYVZDBRZXJXBNH-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269421 812536000 /nfs/dbraw/zinc/53/60/00/812536000.db2.gz LYVZDBRZXJXBNH-MNOVXSKESA-N 1 2 285.775 0.598 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001126360206 812631078 /nfs/dbraw/zinc/63/10/78/812631078.db2.gz KEULXDOMUWWKSU-AWEZNQCLSA-N 1 2 281.356 0.770 20 30 CCEDLO C[C@@H](O)C[NH+]1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001268482901 812655476 /nfs/dbraw/zinc/65/54/76/812655476.db2.gz AIIFIUAYXYLINE-CYBMUJFWSA-N 1 2 272.348 0.609 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001038394635 812777153 /nfs/dbraw/zinc/77/71/53/812777153.db2.gz WLHIBPJWGLZGHP-NSHDSACASA-N 1 2 274.324 0.236 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001038394635 812777157 /nfs/dbraw/zinc/77/71/57/812777157.db2.gz WLHIBPJWGLZGHP-NSHDSACASA-N 1 2 274.324 0.236 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001028536044 812825945 /nfs/dbraw/zinc/82/59/45/812825945.db2.gz KPJPFTOOGOONFI-STQMWFEESA-N 1 2 286.379 0.901 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001028536044 812825955 /nfs/dbraw/zinc/82/59/55/812825955.db2.gz KPJPFTOOGOONFI-STQMWFEESA-N 1 2 286.379 0.901 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)[C@@H](O)C1 ZINC001083353116 812901899 /nfs/dbraw/zinc/90/18/99/812901899.db2.gz NSQLRHBSKKWDAO-ZJUUUORDSA-N 1 2 267.354 0.412 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)[C@@H](O)C1 ZINC001083353116 812901907 /nfs/dbraw/zinc/90/19/07/812901907.db2.gz NSQLRHBSKKWDAO-ZJUUUORDSA-N 1 2 267.354 0.412 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001077464775 812930644 /nfs/dbraw/zinc/93/06/44/812930644.db2.gz SODNYWIKVVVHTI-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001077464775 812930647 /nfs/dbraw/zinc/93/06/47/812930647.db2.gz SODNYWIKVVVHTI-CHWSQXEVSA-N 1 2 291.351 0.596 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001083393055 812935225 /nfs/dbraw/zinc/93/52/25/812935225.db2.gz ITGPSDZJIKAKSY-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001083393055 812935229 /nfs/dbraw/zinc/93/52/29/812935229.db2.gz ITGPSDZJIKAKSY-OLZOCXBDSA-N 1 2 278.377 0.855 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H](O)C1 ZINC001083625355 815563890 /nfs/dbraw/zinc/56/38/90/815563890.db2.gz XTJYHAYWQUITHQ-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H](O)C1 ZINC001083625355 815563894 /nfs/dbraw/zinc/56/38/94/815563894.db2.gz XTJYHAYWQUITHQ-KGLIPLIRSA-N 1 2 294.395 0.234 20 30 CCEDLO C=C(C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001268833271 813106373 /nfs/dbraw/zinc/10/63/73/813106373.db2.gz JPWLSCUIMOLWJU-LBPRGKRZSA-N 1 2 265.357 0.279 20 30 CCEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269000373 813174239 /nfs/dbraw/zinc/17/42/39/813174239.db2.gz LZLPWGVRFQWUMW-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269000373 813174243 /nfs/dbraw/zinc/17/42/43/813174243.db2.gz LZLPWGVRFQWUMW-NSHDSACASA-N 1 2 280.372 0.253 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001269014472 813178114 /nfs/dbraw/zinc/17/81/14/813178114.db2.gz PDDKZUPOBWSRRG-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001269014472 813178116 /nfs/dbraw/zinc/17/81/16/813178116.db2.gz PDDKZUPOBWSRRG-ZDUSSCGKSA-N 1 2 291.351 0.745 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001269223185 813275503 /nfs/dbraw/zinc/27/55/03/813275503.db2.gz MCOWWIVTGKLMHK-ZBFHGGJFSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001269223185 813275509 /nfs/dbraw/zinc/27/55/09/813275509.db2.gz MCOWWIVTGKLMHK-ZBFHGGJFSA-N 1 2 294.395 0.378 20 30 CCEDLO CCn1nccc1C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269222791 813276055 /nfs/dbraw/zinc/27/60/55/813276055.db2.gz IMZWNNPBKNJVEE-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO CCn1nccc1C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269222791 813276058 /nfs/dbraw/zinc/27/60/58/813276058.db2.gz IMZWNNPBKNJVEE-ZDUSSCGKSA-N 1 2 290.367 0.357 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001038401077 813284180 /nfs/dbraw/zinc/28/41/80/813284180.db2.gz NXFPOSWYFDWIEK-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001038401077 813284184 /nfs/dbraw/zinc/28/41/84/813284184.db2.gz NXFPOSWYFDWIEK-STQMWFEESA-N 1 2 286.379 0.903 20 30 CCEDLO CC#CC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001270712690 813903771 /nfs/dbraw/zinc/90/37/71/813903771.db2.gz FXIOCILWAILKJF-UHFFFAOYSA-N 1 2 277.368 0.022 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)C ZINC001029244977 814014846 /nfs/dbraw/zinc/01/48/46/814014846.db2.gz NOGXDRUTUVFXHF-LPWJVIDDSA-N 1 2 292.383 0.298 20 30 CCEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001029244977 814014848 /nfs/dbraw/zinc/01/48/48/814014848.db2.gz NOGXDRUTUVFXHF-LPWJVIDDSA-N 1 2 292.383 0.298 20 30 CCEDLO C#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1CC ZINC001087630935 814177748 /nfs/dbraw/zinc/17/77/48/814177748.db2.gz DCOYZVZJIFSNAJ-QWHCGFSZSA-N 1 2 298.408 0.023 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H]1CC ZINC001087630935 814177753 /nfs/dbraw/zinc/17/77/53/814177753.db2.gz DCOYZVZJIFSNAJ-QWHCGFSZSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCCO2)C1 ZINC001271253280 814352609 /nfs/dbraw/zinc/35/26/09/814352609.db2.gz AZYSXQRAEGGENB-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001271342819 814386521 /nfs/dbraw/zinc/38/65/21/814386521.db2.gz DSPLZPOCIDXJSV-UHFFFAOYSA-N 1 2 290.338 0.934 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)COCC(F)F ZINC001280412972 814505835 /nfs/dbraw/zinc/50/58/35/814505835.db2.gz VFVTZIYUASXSIJ-LLVKDONJSA-N 1 2 292.326 0.661 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)COCC(F)F ZINC001280412972 814505838 /nfs/dbraw/zinc/50/58/38/814505838.db2.gz VFVTZIYUASXSIJ-LLVKDONJSA-N 1 2 292.326 0.661 20 30 CCEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CNCC#N ZINC001271721382 814529730 /nfs/dbraw/zinc/52/97/30/814529730.db2.gz NFDUCFWPGZARGI-KGLIPLIRSA-N 1 2 289.383 0.871 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001088494134 814743458 /nfs/dbraw/zinc/74/34/58/814743458.db2.gz NERYRDULUJBAQX-OUAUKWLOSA-N 1 2 285.775 0.597 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001088494134 814743461 /nfs/dbraw/zinc/74/34/61/814743461.db2.gz NERYRDULUJBAQX-OUAUKWLOSA-N 1 2 285.775 0.597 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@@H](O)C1 ZINC001083673726 815644484 /nfs/dbraw/zinc/64/44/84/815644484.db2.gz SVBQXGHWKLSIQO-NEPJUHHUSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@@H](O)C1 ZINC001083673726 815644486 /nfs/dbraw/zinc/64/44/86/815644486.db2.gz SVBQXGHWKLSIQO-NEPJUHHUSA-N 1 2 277.324 0.206 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001077454526 815813321 /nfs/dbraw/zinc/81/33/21/815813321.db2.gz XHFOEZOPLOBHKW-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001077454526 815813326 /nfs/dbraw/zinc/81/33/26/815813326.db2.gz XHFOEZOPLOBHKW-HUUCEWRRSA-N 1 2 296.330 0.038 20 30 CCEDLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030196304 815880644 /nfs/dbraw/zinc/88/06/44/815880644.db2.gz MRPKKSQQPQUDHI-VIFPVBQESA-N 1 2 262.313 0.335 20 30 CCEDLO C#CCN1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001030311400 815970587 /nfs/dbraw/zinc/97/05/87/815970587.db2.gz PFNXSCADWVAVFP-UHFFFAOYSA-N 1 2 268.320 0.690 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001030395598 816011870 /nfs/dbraw/zinc/01/18/70/816011870.db2.gz FYAKRXSITIAABB-ZDUSSCGKSA-N 1 2 293.411 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OC)C1 ZINC001030425821 816031463 /nfs/dbraw/zinc/03/14/63/816031463.db2.gz QTEKALWNAHYGKK-TZMCWYRMSA-N 1 2 282.384 0.805 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001030428168 816033271 /nfs/dbraw/zinc/03/32/71/816033271.db2.gz PTFUDAVPCXRTJF-LBPRGKRZSA-N 1 2 286.379 0.958 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544605 816100149 /nfs/dbraw/zinc/10/01/49/816100149.db2.gz QYNRMAFMRWDLRP-LLVKDONJSA-N 1 2 294.786 0.998 20 30 CCEDLO CC#CCN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030545139 816100789 /nfs/dbraw/zinc/10/07/89/816100789.db2.gz JJJKYDKHTTTWLA-LBPRGKRZSA-N 1 2 272.352 0.269 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nnc2CC)C1 ZINC001030548708 816101589 /nfs/dbraw/zinc/10/15/89/816101589.db2.gz BJFDHIUNBPXCNI-UHFFFAOYSA-N 1 2 272.352 0.785 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212187244 816110671 /nfs/dbraw/zinc/11/06/71/816110671.db2.gz MVSUUDVGZPYHBP-HUUCEWRRSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212187244 816110675 /nfs/dbraw/zinc/11/06/75/816110675.db2.gz MVSUUDVGZPYHBP-HUUCEWRRSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001030636628 816172984 /nfs/dbraw/zinc/17/29/84/816172984.db2.gz NBQTXDPKTSFEHA-HNNXBMFYSA-N 1 2 270.332 0.814 20 30 CCEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cn(C)ccc2=O)C1 ZINC001030657933 816189893 /nfs/dbraw/zinc/18/98/93/816189893.db2.gz UUTLUGMXGCNOEG-UHFFFAOYSA-N 1 2 275.352 0.766 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549242 816334258 /nfs/dbraw/zinc/33/42/58/816334258.db2.gz KLMGUXACJWSDCC-XEVNVYFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233549242 816334263 /nfs/dbraw/zinc/33/42/63/816334263.db2.gz KLMGUXACJWSDCC-XEVNVYFWSA-N 1 2 279.384 0.788 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001030847261 816341746 /nfs/dbraw/zinc/34/17/46/816341746.db2.gz POCZJEKTLSNQQW-GFCCVEGCSA-N 1 2 286.379 0.349 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001030936059 816463831 /nfs/dbraw/zinc/46/38/31/816463831.db2.gz MWZXFMOUCBGKAP-UHFFFAOYSA-N 1 2 259.309 0.533 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030977498 816525458 /nfs/dbraw/zinc/52/54/58/816525458.db2.gz OBCKWVBSACEXAT-RTXFEEFZSA-N 1 2 268.357 0.413 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272570903 816591861 /nfs/dbraw/zinc/59/18/61/816591861.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272570903 816591867 /nfs/dbraw/zinc/59/18/67/816591867.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272570903 816591875 /nfs/dbraw/zinc/59/18/75/816591875.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272570903 816591884 /nfs/dbraw/zinc/59/18/84/816591884.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272570903 816591893 /nfs/dbraw/zinc/59/18/93/816591893.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272570903 816591898 /nfs/dbraw/zinc/59/18/98/816591898.db2.gz VUUJQCPMKKUGCR-OAHLLOKOSA-N 1 2 287.367 0.643 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001031038849 816595523 /nfs/dbraw/zinc/59/55/23/816595523.db2.gz SYNTWOJDWMGNMN-VXGBXAGGSA-N 1 2 279.384 0.655 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001077532770 816676526 /nfs/dbraw/zinc/67/65/26/816676526.db2.gz UUXGTSBDWLTDQL-QJPTWQEYSA-N 1 2 250.342 0.217 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001077532770 816676530 /nfs/dbraw/zinc/67/65/30/816676530.db2.gz UUXGTSBDWLTDQL-QJPTWQEYSA-N 1 2 250.342 0.217 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001031218778 816832867 /nfs/dbraw/zinc/83/28/67/816832867.db2.gz CFBAKEOXSDIBCW-ZDUSSCGKSA-N 1 2 279.384 0.764 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001031220423 816835639 /nfs/dbraw/zinc/83/56/39/816835639.db2.gz WPSFRHBIXPOMQN-GXTWGEPZSA-N 1 2 250.342 0.790 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)cn1 ZINC001031278540 816924271 /nfs/dbraw/zinc/92/42/71/816924271.db2.gz QGBPWGMNGYLABW-LLVKDONJSA-N 1 2 273.336 0.512 20 30 CCEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031313929 816962841 /nfs/dbraw/zinc/96/28/41/816962841.db2.gz DGCSZXDCKCHHKG-UHFFFAOYSA-N 1 2 272.348 0.393 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001031366093 817006193 /nfs/dbraw/zinc/00/61/93/817006193.db2.gz CJLPCWSYQFLCEP-UHFFFAOYSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001031442107 817058976 /nfs/dbraw/zinc/05/89/76/817058976.db2.gz WXKXSFNUZADOCE-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123796728 817071140 /nfs/dbraw/zinc/07/11/40/817071140.db2.gz ZOMFKJASSIDKTK-STQMWFEESA-N 1 2 266.389 0.285 20 30 CCEDLO CC#CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123796728 817071147 /nfs/dbraw/zinc/07/11/47/817071147.db2.gz ZOMFKJASSIDKTK-STQMWFEESA-N 1 2 266.389 0.285 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001031506818 817087010 /nfs/dbraw/zinc/08/70/10/817087010.db2.gz IETSZRGERCCVEF-LLVKDONJSA-N 1 2 262.357 0.900 20 30 CCEDLO C#CC[NH+]1CC(CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001031738220 817302213 /nfs/dbraw/zinc/30/22/13/817302213.db2.gz JIOKBBZXYPRIAN-UHFFFAOYSA-N 1 2 280.759 0.920 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001031743020 817307697 /nfs/dbraw/zinc/30/76/97/817307697.db2.gz BJMCNPVOIGRKSO-JQWIXIFHSA-N 1 2 288.775 0.591 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC001031802484 817378396 /nfs/dbraw/zinc/37/83/96/817378396.db2.gz OMARWEACFXOYFX-CMPLNLGQSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212346937 817425852 /nfs/dbraw/zinc/42/58/52/817425852.db2.gz JXYXXGWWTUZJEC-JHJVBQTASA-N 1 2 295.383 0.047 20 30 CCEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212346937 817425855 /nfs/dbraw/zinc/42/58/55/817425855.db2.gz JXYXXGWWTUZJEC-JHJVBQTASA-N 1 2 295.383 0.047 20 30 CCEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001124768155 817569553 /nfs/dbraw/zinc/56/95/53/817569553.db2.gz VBGWENAZXWWITD-VIFPVBQESA-N 1 2 268.317 0.347 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868512 817575029 /nfs/dbraw/zinc/57/50/29/817575029.db2.gz CTDRAHGIVTXEHG-UKMLZYKCSA-N 1 2 298.390 0.754 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868512 817575037 /nfs/dbraw/zinc/57/50/37/817575037.db2.gz CTDRAHGIVTXEHG-UKMLZYKCSA-N 1 2 298.390 0.754 20 30 CCEDLO CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124888003 817615566 /nfs/dbraw/zinc/61/55/66/817615566.db2.gz CTLDEFCPAIHNSS-BDAKNGLRSA-N 1 2 281.316 0.142 20 30 CCEDLO C=CCOCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127736663 817809805 /nfs/dbraw/zinc/80/98/05/817809805.db2.gz HZMPMHIYOOEVLY-QMMMGPOBSA-N 1 2 272.242 0.795 20 30 CCEDLO C=CCOCC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127736663 817809816 /nfs/dbraw/zinc/80/98/16/817809816.db2.gz HZMPMHIYOOEVLY-QMMMGPOBSA-N 1 2 272.242 0.795 20 30 CCEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001077671036 817972373 /nfs/dbraw/zinc/97/23/73/817972373.db2.gz VNUBGVAPDVDNCQ-GHMZBOCLSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001077671036 817972377 /nfs/dbraw/zinc/97/23/77/817972377.db2.gz VNUBGVAPDVDNCQ-GHMZBOCLSA-N 1 2 277.324 0.513 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)no2)C1 ZINC001107731031 817974678 /nfs/dbraw/zinc/97/46/78/817974678.db2.gz JNPXYXQFVPTAQM-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)no2)C1 ZINC001107731031 817974684 /nfs/dbraw/zinc/97/46/84/817974684.db2.gz JNPXYXQFVPTAQM-AWEZNQCLSA-N 1 2 279.340 0.990 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC)C1 ZINC001107762805 817992083 /nfs/dbraw/zinc/99/20/83/817992083.db2.gz WUMATWFMCNOHHX-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC)C1 ZINC001107762805 817992088 /nfs/dbraw/zinc/99/20/88/817992088.db2.gz WUMATWFMCNOHHX-DZGCQCFKSA-N 1 2 282.384 0.642 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@](C)(O)C1CC1 ZINC001032363661 818005995 /nfs/dbraw/zinc/00/59/95/818005995.db2.gz MOKJWGAOVFAQSH-YDHLFZDLSA-N 1 2 262.353 0.456 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@](C)(O)C1CC1 ZINC001032363661 818006001 /nfs/dbraw/zinc/00/60/01/818006001.db2.gz MOKJWGAOVFAQSH-YDHLFZDLSA-N 1 2 262.353 0.456 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078752034 818042993 /nfs/dbraw/zinc/04/29/93/818042993.db2.gz HILMZIYOCGRZAA-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001038550574 818144974 /nfs/dbraw/zinc/14/49/74/818144974.db2.gz OCBIAINUSRELLA-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001038550574 818144977 /nfs/dbraw/zinc/14/49/77/818144977.db2.gz OCBIAINUSRELLA-CYBMUJFWSA-N 1 2 296.334 0.100 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083817135 818214172 /nfs/dbraw/zinc/21/41/72/818214172.db2.gz MZUJMRFJSZPNOL-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083817135 818214179 /nfs/dbraw/zinc/21/41/79/818214179.db2.gz MZUJMRFJSZPNOL-BMFZPTHFSA-N 1 2 286.375 0.893 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090036519 818315529 /nfs/dbraw/zinc/31/55/29/818315529.db2.gz FYVRFLYLBOTIFU-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090036519 818315534 /nfs/dbraw/zinc/31/55/34/818315534.db2.gz FYVRFLYLBOTIFU-JQWIXIFHSA-N 1 2 296.758 0.394 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#C)C[C@@H]2O)cc1 ZINC001083842528 818571160 /nfs/dbraw/zinc/57/11/60/818571160.db2.gz QQCMLKPEZZWKQI-CVEARBPZSA-N 1 2 298.342 0.107 20 30 CCEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC#C)C[C@@H]2O)cc1 ZINC001083842528 818571167 /nfs/dbraw/zinc/57/11/67/818571167.db2.gz QQCMLKPEZZWKQI-CVEARBPZSA-N 1 2 298.342 0.107 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108080433 818585945 /nfs/dbraw/zinc/58/59/45/818585945.db2.gz NTUYXUYKRKGHQL-OAHLLOKOSA-N 1 2 293.342 0.998 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108080433 818585952 /nfs/dbraw/zinc/58/59/52/818585952.db2.gz NTUYXUYKRKGHQL-OAHLLOKOSA-N 1 2 293.342 0.998 20 30 CCEDLO C[C@]1(CNC(=O)CCn2cc[nH+]c2)CN(CC#N)CCO1 ZINC001108106991 818720050 /nfs/dbraw/zinc/72/00/50/818720050.db2.gz NNTYDAAGHONAAO-AWEZNQCLSA-N 1 2 291.355 0.004 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033396188 818753066 /nfs/dbraw/zinc/75/30/66/818753066.db2.gz NQCDZEAKEQGQPH-NSHDSACASA-N 1 2 276.340 0.295 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001033396188 818753071 /nfs/dbraw/zinc/75/30/71/818753071.db2.gz NQCDZEAKEQGQPH-NSHDSACASA-N 1 2 276.340 0.295 20 30 CCEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCN(CC#N)C1 ZINC001033416837 818762880 /nfs/dbraw/zinc/76/28/80/818762880.db2.gz QITIMZKDDJULDV-NWDGAFQWSA-N 1 2 287.367 0.886 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128700706 818859146 /nfs/dbraw/zinc/85/91/46/818859146.db2.gz JFOLNHYYPZUVLN-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001128700706 818859150 /nfs/dbraw/zinc/85/91/50/818859150.db2.gz JFOLNHYYPZUVLN-KGLIPLIRSA-N 1 2 289.383 0.689 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001033980299 819023017 /nfs/dbraw/zinc/02/30/17/819023017.db2.gz SRBBZMUKBHXMJQ-GFCCVEGCSA-N 1 2 295.362 0.970 20 30 CCEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001033980299 819023024 /nfs/dbraw/zinc/02/30/24/819023024.db2.gz SRBBZMUKBHXMJQ-GFCCVEGCSA-N 1 2 295.362 0.970 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090180611 819036647 /nfs/dbraw/zinc/03/66/47/819036647.db2.gz SRZUQCAOZNDLKQ-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 ZINC001090180611 819036655 /nfs/dbraw/zinc/03/66/55/819036655.db2.gz SRZUQCAOZNDLKQ-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](n2ccnn2)C1 ZINC001128869210 819103496 /nfs/dbraw/zinc/10/34/96/819103496.db2.gz HQDFQUHHCKODHT-QJTIAFMVSA-N 1 2 285.351 0.219 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@@H](n2ccnn2)C1 ZINC001128869210 819103499 /nfs/dbraw/zinc/10/34/99/819103499.db2.gz HQDFQUHHCKODHT-QJTIAFMVSA-N 1 2 285.351 0.219 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)cnn2C)C1 ZINC001108139702 819286980 /nfs/dbraw/zinc/28/69/80/819286980.db2.gz DPXIFQMXYQUSMC-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)cnn2C)C1 ZINC001108139702 819286986 /nfs/dbraw/zinc/28/69/86/819286986.db2.gz DPXIFQMXYQUSMC-OAHLLOKOSA-N 1 2 292.383 0.735 20 30 CCEDLO N#CCN[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744602 819317965 /nfs/dbraw/zinc/31/79/65/819317965.db2.gz YLHXOZAJABKCCG-XYPYZODXSA-N 1 2 261.329 0.493 20 30 CCEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](CO)C1 ZINC000703890525 819337982 /nfs/dbraw/zinc/33/79/82/819337982.db2.gz FKTCHIJYKTUVNY-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](CO)C1 ZINC000703890525 819337986 /nfs/dbraw/zinc/33/79/86/819337986.db2.gz FKTCHIJYKTUVNY-ZETCQYMHSA-N 1 2 272.761 0.781 20 30 CCEDLO Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001034884894 819353400 /nfs/dbraw/zinc/35/34/00/819353400.db2.gz NBGASUQUUYLNEN-GXSJLCMTSA-N 1 2 277.328 0.618 20 30 CCEDLO CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001034885970 819355461 /nfs/dbraw/zinc/35/54/61/819355461.db2.gz DFSHHPGCRASDON-GHMZBOCLSA-N 1 2 291.355 0.872 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001035277728 819445156 /nfs/dbraw/zinc/44/51/56/819445156.db2.gz OFNRCOSUJIYSAZ-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001035277728 819445162 /nfs/dbraw/zinc/44/51/62/819445162.db2.gz OFNRCOSUJIYSAZ-NSHDSACASA-N 1 2 292.339 0.189 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035283077 819447935 /nfs/dbraw/zinc/44/79/35/819447935.db2.gz NRSBVAJUOUMDMO-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001035283077 819447937 /nfs/dbraw/zinc/44/79/37/819447937.db2.gz NRSBVAJUOUMDMO-ZDUSSCGKSA-N 1 2 288.351 0.239 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159656 819465196 /nfs/dbraw/zinc/46/51/96/819465196.db2.gz OQSVPCINRTYJCB-AGIUHOORSA-N 1 2 295.362 0.800 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129159656 819465202 /nfs/dbraw/zinc/46/52/02/819465202.db2.gz OQSVPCINRTYJCB-AGIUHOORSA-N 1 2 295.362 0.800 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035324586 819472925 /nfs/dbraw/zinc/47/29/25/819472925.db2.gz TVBAZIVDLDCIIL-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035324586 819472927 /nfs/dbraw/zinc/47/29/27/819472927.db2.gz TVBAZIVDLDCIIL-ZDUSSCGKSA-N 1 2 290.367 0.480 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001035346211 819485312 /nfs/dbraw/zinc/48/53/12/819485312.db2.gz GOTDQFSBHMBJES-CYBMUJFWSA-N 1 2 266.341 0.336 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001035346211 819485313 /nfs/dbraw/zinc/48/53/13/819485313.db2.gz GOTDQFSBHMBJES-CYBMUJFWSA-N 1 2 266.341 0.336 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349694 819493683 /nfs/dbraw/zinc/49/36/83/819493683.db2.gz KEGZLGTUVQPUAO-YMAMQOFZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001035349694 819493689 /nfs/dbraw/zinc/49/36/89/819493689.db2.gz KEGZLGTUVQPUAO-YMAMQOFZSA-N 1 2 296.411 0.931 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC001035380248 819509367 /nfs/dbraw/zinc/50/93/67/819509367.db2.gz GETUJENVCUGNFU-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC001035380248 819509374 /nfs/dbraw/zinc/50/93/74/819509374.db2.gz GETUJENVCUGNFU-ZDUSSCGKSA-N 1 2 290.367 0.710 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379589 819510283 /nfs/dbraw/zinc/51/02/83/819510283.db2.gz RKNGZINLXDJLTN-YDHLFZDLSA-N 1 2 280.368 0.416 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001035379589 819510288 /nfs/dbraw/zinc/51/02/88/819510288.db2.gz RKNGZINLXDJLTN-YDHLFZDLSA-N 1 2 280.368 0.416 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001035509733 819544806 /nfs/dbraw/zinc/54/48/06/819544806.db2.gz CVRAYKGMVAWBRW-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001035509733 819544808 /nfs/dbraw/zinc/54/48/08/819544808.db2.gz CVRAYKGMVAWBRW-QWHCGFSZSA-N 1 2 295.383 0.048 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001035530519 819556421 /nfs/dbraw/zinc/55/64/21/819556421.db2.gz OFMWRPRMMQONIF-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001035530519 819556426 /nfs/dbraw/zinc/55/64/26/819556426.db2.gz OFMWRPRMMQONIF-ZDUSSCGKSA-N 1 2 292.383 0.828 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2oncc2C)C1 ZINC001035568601 819558681 /nfs/dbraw/zinc/55/86/81/819558681.db2.gz VUDHNPPQVHJMBN-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2oncc2C)C1 ZINC001035568601 819558690 /nfs/dbraw/zinc/55/86/90/819558690.db2.gz VUDHNPPQVHJMBN-GFCCVEGCSA-N 1 2 277.324 0.437 20 30 CCEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1cnc(C)[nH]1)CC2 ZINC001035670944 819607688 /nfs/dbraw/zinc/60/76/88/819607688.db2.gz QHTQHKCRLBLZOJ-UHFFFAOYSA-N 1 2 272.352 0.889 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278209 820064060 /nfs/dbraw/zinc/06/40/60/820064060.db2.gz BSBGLOLZRULSCS-RYUDHWBXSA-N 1 2 283.759 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001090278209 820064069 /nfs/dbraw/zinc/06/40/69/820064069.db2.gz BSBGLOLZRULSCS-RYUDHWBXSA-N 1 2 283.759 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](O)C1 ZINC001083886324 820081966 /nfs/dbraw/zinc/08/19/66/820081966.db2.gz UCDDUYICUAELMD-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](O)C1 ZINC001083886324 820081971 /nfs/dbraw/zinc/08/19/71/820081971.db2.gz UCDDUYICUAELMD-NEPJUHHUSA-N 1 2 277.324 0.090 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064309418 820193199 /nfs/dbraw/zinc/19/31/99/820193199.db2.gz WCDIITQHJJYDGF-JTQLQIEISA-N 1 2 289.339 0.267 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](O)C1 ZINC001083904230 820209866 /nfs/dbraw/zinc/20/98/66/820209866.db2.gz IGSMNZPYJIKRQX-KGLIPLIRSA-N 1 2 291.351 0.425 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](O)C1 ZINC001083904230 820209874 /nfs/dbraw/zinc/20/98/74/820209874.db2.gz IGSMNZPYJIKRQX-KGLIPLIRSA-N 1 2 291.351 0.425 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001079668654 820447417 /nfs/dbraw/zinc/44/74/17/820447417.db2.gz NRWINYMJSDIQEJ-LDYMZIIASA-N 1 2 297.790 0.845 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001079668654 820447425 /nfs/dbraw/zinc/44/74/25/820447425.db2.gz NRWINYMJSDIQEJ-LDYMZIIASA-N 1 2 297.790 0.845 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991531 820497454 /nfs/dbraw/zinc/49/74/54/820497454.db2.gz LGXKEHCJAHIEOG-YRGRVCCFSA-N 1 2 287.367 0.406 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccncc1C#N ZINC001099713023 820575825 /nfs/dbraw/zinc/57/58/25/820575825.db2.gz JQPPTVRILSTLMC-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001080433695 820576166 /nfs/dbraw/zinc/57/61/66/820576166.db2.gz NBGHEPJTHSSHOJ-UDZFHETQSA-N 1 2 299.802 0.702 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001080433695 820576169 /nfs/dbraw/zinc/57/61/69/820576169.db2.gz NBGHEPJTHSSHOJ-UDZFHETQSA-N 1 2 299.802 0.702 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080469994 820581327 /nfs/dbraw/zinc/58/13/27/820581327.db2.gz HBEFMYVAIVHXIO-FDYHWXHSSA-N 1 2 287.367 0.484 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001081474769 820771600 /nfs/dbraw/zinc/77/16/00/820771600.db2.gz UVICQPLZPSVIDF-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001081474769 820771607 /nfs/dbraw/zinc/77/16/07/820771607.db2.gz UVICQPLZPSVIDF-CHWSQXEVSA-N 1 2 277.299 0.283 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H](OC)C1 ZINC001081740106 820825860 /nfs/dbraw/zinc/82/58/60/820825860.db2.gz MVMARRJBOZUFJB-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H](OC)C1 ZINC001081740106 820825862 /nfs/dbraw/zinc/82/58/62/820825862.db2.gz MVMARRJBOZUFJB-HUUCEWRRSA-N 1 2 287.363 0.761 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@H](OC)C1 ZINC001081862885 820848735 /nfs/dbraw/zinc/84/87/35/820848735.db2.gz XKGQTYVCHMXKHR-TZMCWYRMSA-N 1 2 276.336 0.904 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@H](OC)C1 ZINC001081862885 820848745 /nfs/dbraw/zinc/84/87/45/820848745.db2.gz XKGQTYVCHMXKHR-TZMCWYRMSA-N 1 2 276.336 0.904 20 30 CCEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083008154 821105231 /nfs/dbraw/zinc/10/52/31/821105231.db2.gz XLLGIOXHSVIXDD-SDDRHHMPSA-N 1 2 270.398 0.836 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)SC)[C@H]2C1 ZINC001083008154 821105235 /nfs/dbraw/zinc/10/52/35/821105235.db2.gz XLLGIOXHSVIXDD-SDDRHHMPSA-N 1 2 270.398 0.836 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC(F)(F)C3)[C@H]2C1 ZINC001083045062 821126190 /nfs/dbraw/zinc/12/61/90/821126190.db2.gz OANKCZYSUAQASR-NWDGAFQWSA-N 1 2 284.306 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(F)(F)C3)[C@H]2C1 ZINC001083045062 821126197 /nfs/dbraw/zinc/12/61/97/821126197.db2.gz OANKCZYSUAQASR-NWDGAFQWSA-N 1 2 284.306 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC3(F)F)[C@H]2C1 ZINC001083116203 821137788 /nfs/dbraw/zinc/13/77/88/821137788.db2.gz JCIGBWSCGCQMRR-GRYCIOLGSA-N 1 2 284.306 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC3(F)F)[C@H]2C1 ZINC001083116203 821137792 /nfs/dbraw/zinc/13/77/92/821137792.db2.gz JCIGBWSCGCQMRR-GRYCIOLGSA-N 1 2 284.306 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc(C)c3)[C@H]2C1 ZINC001083094149 821140315 /nfs/dbraw/zinc/14/03/15/821140315.db2.gz QKSJHEZXGCPCSQ-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc(C)c3)[C@H]2C1 ZINC001083094149 821140318 /nfs/dbraw/zinc/14/03/18/821140318.db2.gz QKSJHEZXGCPCSQ-JKSUJKDBSA-N 1 2 299.374 0.857 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083952211 821163253 /nfs/dbraw/zinc/16/32/53/821163253.db2.gz DIOCXOYHVQSVIT-XQQFMLRXSA-N 1 2 292.404 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083952211 821163259 /nfs/dbraw/zinc/16/32/59/821163259.db2.gz DIOCXOYHVQSVIT-XQQFMLRXSA-N 1 2 292.404 0.955 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001084121102 821194359 /nfs/dbraw/zinc/19/43/59/821194359.db2.gz XCFPMIJRNXUBAO-KGLIPLIRSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001084121102 821194362 /nfs/dbraw/zinc/19/43/62/821194362.db2.gz XCFPMIJRNXUBAO-KGLIPLIRSA-N 1 2 290.338 0.932 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C1 ZINC001084368045 821280050 /nfs/dbraw/zinc/28/00/50/821280050.db2.gz RILPSSVGSWXEIX-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C1 ZINC001084368045 821280053 /nfs/dbraw/zinc/28/00/53/821280053.db2.gz RILPSSVGSWXEIX-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001084368045 821280058 /nfs/dbraw/zinc/28/00/58/821280058.db2.gz RILPSSVGSWXEIX-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001084368045 821280066 /nfs/dbraw/zinc/28/00/66/821280066.db2.gz RILPSSVGSWXEIX-BXUZGUMPSA-N 1 2 295.346 0.737 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC001084568081 821313171 /nfs/dbraw/zinc/31/31/71/821313171.db2.gz XNRDYDGSLDHVBF-HUUCEWRRSA-N 1 2 297.358 0.300 20 30 CCEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)cc1 ZINC001084568081 821313179 /nfs/dbraw/zinc/31/31/79/821313179.db2.gz XNRDYDGSLDHVBF-HUUCEWRRSA-N 1 2 297.358 0.300 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065692461 821578502 /nfs/dbraw/zinc/57/85/02/821578502.db2.gz ROVOBBYZDWDJFZ-AWEZNQCLSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001099977633 821682942 /nfs/dbraw/zinc/68/29/42/821682942.db2.gz ZZFBWLNBFSHENW-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C[C@H]1O ZINC001099977633 821682946 /nfs/dbraw/zinc/68/29/46/821682946.db2.gz ZZFBWLNBFSHENW-QWHCGFSZSA-N 1 2 297.399 0.030 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1C ZINC001085504204 821752448 /nfs/dbraw/zinc/75/24/48/821752448.db2.gz RAGHPIWNBKSAOY-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1C ZINC001085504204 821752455 /nfs/dbraw/zinc/75/24/55/821752455.db2.gz RAGHPIWNBKSAOY-GFCCVEGCSA-N 1 2 260.341 0.508 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ncccc12 ZINC001085644819 821870095 /nfs/dbraw/zinc/87/00/95/821870095.db2.gz YQXSDXCIYDMOTD-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn2ncccc12 ZINC001085644819 821870102 /nfs/dbraw/zinc/87/01/02/821870102.db2.gz YQXSDXCIYDMOTD-GFCCVEGCSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CCOC ZINC001085661606 821880594 /nfs/dbraw/zinc/88/05/94/821880594.db2.gz CZJQPHCWYXLRON-CYBMUJFWSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CCOC ZINC001085661606 821880606 /nfs/dbraw/zinc/88/06/06/821880606.db2.gz CZJQPHCWYXLRON-CYBMUJFWSA-N 1 2 290.367 0.309 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001085676274 821886796 /nfs/dbraw/zinc/88/67/96/821886796.db2.gz LYERKOASZFQMER-KBPBESRZSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001085676274 821886807 /nfs/dbraw/zinc/88/68/07/821886807.db2.gz LYERKOASZFQMER-KBPBESRZSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001085676277 821888665 /nfs/dbraw/zinc/88/86/65/821888665.db2.gz LYERKOASZFQMER-ZIAGYGMSSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001085676277 821888673 /nfs/dbraw/zinc/88/86/73/821888673.db2.gz LYERKOASZFQMER-ZIAGYGMSSA-N 1 2 286.379 0.611 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001085699683 821909941 /nfs/dbraw/zinc/90/99/41/821909941.db2.gz UFXXQXKPLCCAPK-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001085699683 821909948 /nfs/dbraw/zinc/90/99/48/821909948.db2.gz UFXXQXKPLCCAPK-GFCCVEGCSA-N 1 2 258.325 0.565 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085741778 821926030 /nfs/dbraw/zinc/92/60/30/821926030.db2.gz YUCMODLUCKUTDX-LBPRGKRZSA-N 1 2 289.335 0.548 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001085741778 821926039 /nfs/dbraw/zinc/92/60/39/821926039.db2.gz YUCMODLUCKUTDX-LBPRGKRZSA-N 1 2 289.335 0.548 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001085970875 822045686 /nfs/dbraw/zinc/04/56/86/822045686.db2.gz MROPMBQZTKBPNI-ZDUSSCGKSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001085970875 822045693 /nfs/dbraw/zinc/04/56/93/822045693.db2.gz MROPMBQZTKBPNI-ZDUSSCGKSA-N 1 2 286.379 0.927 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc(C#N)cc2C#N)C1 ZINC001155195646 822086692 /nfs/dbraw/zinc/08/66/92/822086692.db2.gz BMIOWPOCDPWARB-GFCCVEGCSA-N 1 2 257.297 0.567 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc(C#N)cc2C#N)C1 ZINC001155195646 822086684 /nfs/dbraw/zinc/08/66/84/822086684.db2.gz BMIOWPOCDPWARB-GFCCVEGCSA-N 1 2 257.297 0.567 20 30 CCEDLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114063664 837425748 /nfs/dbraw/zinc/42/57/48/837425748.db2.gz GSEGHXCPYNNUQB-NMKXLXIOSA-N 1 2 287.367 0.609 20 30 CCEDLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114063664 837425754 /nfs/dbraw/zinc/42/57/54/837425754.db2.gz GSEGHXCPYNNUQB-NMKXLXIOSA-N 1 2 287.367 0.609 20 30 CCEDLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253332 837487215 /nfs/dbraw/zinc/48/72/15/837487215.db2.gz MCGGAMUANPBXBB-VIKVFOODSA-N 1 2 285.347 0.943 20 30 CCEDLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253332 837487220 /nfs/dbraw/zinc/48/72/20/837487220.db2.gz MCGGAMUANPBXBB-VIKVFOODSA-N 1 2 285.347 0.943 20 30 CCEDLO CN(C)S(=O)(=O)CCNc1[nH+]cccc1CC#N ZINC001168860342 836022209 /nfs/dbraw/zinc/02/22/09/836022209.db2.gz LLCYBSXXUHEWCZ-UHFFFAOYSA-N 1 2 268.342 0.451 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C3(C#N)CC3)cn2)C[NH2+]1 ZINC001169129090 836143037 /nfs/dbraw/zinc/14/30/37/836143037.db2.gz JZACLBMHWSBRDV-NEPJUHHUSA-N 1 2 286.335 0.952 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCSC)CC2=O)C1 ZINC001108502401 836337757 /nfs/dbraw/zinc/33/77/57/836337757.db2.gz NKNUGVUIANHZQW-NSHDSACASA-N 1 2 297.424 0.327 20 30 CCEDLO C=CCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108519343 836403725 /nfs/dbraw/zinc/40/37/25/836403725.db2.gz DKKCVADMTJXELF-LBPRGKRZSA-N 1 2 277.368 0.540 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)/C(C)=C/C)CC2=O)C1 ZINC001108529962 836426667 /nfs/dbraw/zinc/42/66/67/836426667.db2.gz QCNJZVBMCGSGQL-JXDHDYMSSA-N 1 2 277.368 0.540 20 30 CCEDLO C=C[C@@H](CO)Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001169780285 836443743 /nfs/dbraw/zinc/44/37/43/836443743.db2.gz QTSQWHBOXLXUGL-VIIUKITBSA-N 1 2 266.326 0.654 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCCF)CC2=O)C1 ZINC001108563633 836452686 /nfs/dbraw/zinc/45/26/86/836452686.db2.gz QWWPAJKUETYUCP-GFCCVEGCSA-N 1 2 297.374 0.714 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCCC2(C1)OCCO2 ZINC001169935355 836482208 /nfs/dbraw/zinc/48/22/08/836482208.db2.gz XWEWELSILDOPIN-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078971 836611862 /nfs/dbraw/zinc/61/18/62/836611862.db2.gz UJMROAQYFPVSOU-RNJOBUHISA-N 1 2 290.367 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078971 836611873 /nfs/dbraw/zinc/61/18/73/836611873.db2.gz UJMROAQYFPVSOU-RNJOBUHISA-N 1 2 290.367 0.170 20 30 CCEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1CNCC#N ZINC001184274968 844201937 /nfs/dbraw/zinc/20/19/37/844201937.db2.gz UURHVPCOODAARZ-CHWSQXEVSA-N 1 2 289.383 0.940 20 30 CCEDLO N#CCSCC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112630263 836832298 /nfs/dbraw/zinc/83/22/98/836832298.db2.gz SCMJRFKMHHIXGR-UHFFFAOYSA-N 1 2 297.424 0.956 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001112639151 836836802 /nfs/dbraw/zinc/83/68/02/836836802.db2.gz RYERVGNYFYAKTJ-CYBMUJFWSA-N 1 2 270.373 0.758 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001112818389 836926316 /nfs/dbraw/zinc/92/63/16/836926316.db2.gz DCAGWKBGPSJLSU-UHFFFAOYSA-N 1 2 294.355 0.267 20 30 CCEDLO C#CCOCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112844184 836939366 /nfs/dbraw/zinc/93/93/66/836939366.db2.gz ZXICRCQKNMUQOG-UHFFFAOYSA-N 1 2 290.367 0.067 20 30 CCEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1cnc(C#N)cn1 ZINC001113081297 837018558 /nfs/dbraw/zinc/01/85/58/837018558.db2.gz ASDFQKJITDOJNI-QWRGUYRKSA-N 1 2 299.338 0.550 20 30 CCEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(COC)CCOC2)CC1 ZINC001113161990 837043668 /nfs/dbraw/zinc/04/36/68/837043668.db2.gz QSFAYMFUPVJGOY-OAHLLOKOSA-N 1 2 282.384 0.760 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001113435567 837116750 /nfs/dbraw/zinc/11/67/50/837116750.db2.gz ONDKRTRFJJJZDS-UHFFFAOYSA-N 1 2 253.346 0.231 20 30 CCEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)c1ccnc(C#N)n1 ZINC001113645140 837186893 /nfs/dbraw/zinc/18/68/93/837186893.db2.gz TUIVVEINXXQNCS-NSHDSACASA-N 1 2 299.338 0.186 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)c1ccc(C#N)nc1 ZINC001113695799 837197788 /nfs/dbraw/zinc/19/77/88/837197788.db2.gz LICZIBNSGCMJOZ-NSHDSACASA-N 1 2 298.350 0.860 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COCCOCC)CC1 ZINC001113688017 837200827 /nfs/dbraw/zinc/20/08/27/837200827.db2.gz XMLQZVBNPFPNFI-UHFFFAOYSA-N 1 2 256.346 0.370 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113725262 837205534 /nfs/dbraw/zinc/20/55/34/837205534.db2.gz QXRFDBFVXGEJPI-RYUDHWBXSA-N 1 2 290.367 0.764 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2nonc2C)CC1 ZINC001113727405 837207933 /nfs/dbraw/zinc/20/79/33/837207933.db2.gz SYEQKIOESUTGSG-UHFFFAOYSA-N 1 2 280.328 0.338 20 30 CCEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131730835 838192829 /nfs/dbraw/zinc/19/28/29/838192829.db2.gz PXAHXHDTVQRIEV-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131730835 838192839 /nfs/dbraw/zinc/19/28/39/838192839.db2.gz PXAHXHDTVQRIEV-NXEZZACHSA-N 1 2 289.326 0.523 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131739134 838199652 /nfs/dbraw/zinc/19/96/52/838199652.db2.gz PPSMDWFKPFEJSC-RYUDHWBXSA-N 1 2 297.374 0.453 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131739134 838199655 /nfs/dbraw/zinc/19/96/55/838199655.db2.gz PPSMDWFKPFEJSC-RYUDHWBXSA-N 1 2 297.374 0.453 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131751823 838206596 /nfs/dbraw/zinc/20/65/96/838206596.db2.gz NIYFKZGLCPWZBR-CHWSQXEVSA-N 1 2 294.399 0.641 20 30 CCEDLO CC(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131751823 838206603 /nfs/dbraw/zinc/20/66/03/838206603.db2.gz NIYFKZGLCPWZBR-CHWSQXEVSA-N 1 2 294.399 0.641 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131898858 838261526 /nfs/dbraw/zinc/26/15/26/838261526.db2.gz GJOUJHINSZZRMM-CHWSQXEVSA-N 1 2 292.383 0.561 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131898858 838261534 /nfs/dbraw/zinc/26/15/34/838261534.db2.gz GJOUJHINSZZRMM-CHWSQXEVSA-N 1 2 292.383 0.561 20 30 CCEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNCC#N ZINC001133134313 838559081 /nfs/dbraw/zinc/55/90/81/838559081.db2.gz CJLHMCVGOHQSQV-NWDGAFQWSA-N 1 2 275.356 0.550 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001134052983 838844728 /nfs/dbraw/zinc/84/47/28/838844728.db2.gz IWAGOUIVZDYUKH-ZJUUUORDSA-N 1 2 282.369 0.335 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001135142171 839168465 /nfs/dbraw/zinc/16/84/65/839168465.db2.gz JITAWLCSUMHSJS-RYUDHWBXSA-N 1 2 296.396 0.725 20 30 CCEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(N)nc2)cc1 ZINC001170984769 839662040 /nfs/dbraw/zinc/66/20/40/839662040.db2.gz ZRSMHWBODIFNPQ-UHFFFAOYSA-N 1 2 271.280 0.882 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090671155 839725441 /nfs/dbraw/zinc/72/54/41/839725441.db2.gz GUNIKKSMZHYTHA-GHMZBOCLSA-N 1 2 298.774 0.256 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090671155 839725450 /nfs/dbraw/zinc/72/54/50/839725450.db2.gz GUNIKKSMZHYTHA-GHMZBOCLSA-N 1 2 298.774 0.256 20 30 CCEDLO C#CC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001143907128 839890219 /nfs/dbraw/zinc/89/02/19/839890219.db2.gz LLIPZZLSCTZJQS-ZDUSSCGKSA-N 1 2 273.336 0.901 20 30 CCEDLO Cc1cc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)n[nH]1 ZINC001144004075 839910097 /nfs/dbraw/zinc/91/00/97/839910097.db2.gz QXWXRMODMSXBOS-UHFFFAOYSA-N 1 2 275.356 0.755 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144844493 840158177 /nfs/dbraw/zinc/15/81/77/840158177.db2.gz SUQMOFOKNPLDAE-UHFFFAOYSA-N 1 2 299.421 0.177 20 30 CCEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2csnn2)nc1 ZINC001148370438 840794393 /nfs/dbraw/zinc/79/43/93/840794393.db2.gz XLVBFEHTDARZES-UHFFFAOYSA-N 1 2 287.348 0.434 20 30 CCEDLO N#Cc1nccnc1NCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001093582406 841350139 /nfs/dbraw/zinc/35/01/39/841350139.db2.gz RGAXPMVIMDBXMY-UHFFFAOYSA-N 1 2 285.311 0.232 20 30 CCEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001093583998 841353334 /nfs/dbraw/zinc/35/33/34/841353334.db2.gz VXFUDJAWJYAOKW-UHFFFAOYSA-N 1 2 291.355 0.296 20 30 CCEDLO Cc1nc(C#N)c(C#N)nc1Nc1nccnc1C[NH3+] ZINC001171450620 841706846 /nfs/dbraw/zinc/70/68/46/841706846.db2.gz WESFFWCWAWYFTF-UHFFFAOYSA-N 1 2 266.268 0.521 20 30 CCEDLO C#CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OC ZINC001172733566 841960207 /nfs/dbraw/zinc/96/02/07/841960207.db2.gz SYPCBPKQHUUZFH-NSHDSACASA-N 1 2 268.313 0.372 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150141232 842012320 /nfs/dbraw/zinc/01/23/20/842012320.db2.gz YRBKKIQDXFWDNI-CHWSQXEVSA-N 1 2 297.399 0.281 20 30 CCEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150141232 842012328 /nfs/dbraw/zinc/01/23/28/842012328.db2.gz YRBKKIQDXFWDNI-CHWSQXEVSA-N 1 2 297.399 0.281 20 30 CCEDLO C[C@@H](CCCCNCC#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479735 842252825 /nfs/dbraw/zinc/25/28/25/842252825.db2.gz SXXMQWGZRQESAL-NSHDSACASA-N 1 2 263.345 0.740 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1[nH]ccc1C#N ZINC001176345570 842355120 /nfs/dbraw/zinc/35/51/20/842355120.db2.gz QPXONNWFKIVMDQ-LLVKDONJSA-N 1 2 286.295 0.295 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1[nH]ccc1C#N ZINC001176345570 842355133 /nfs/dbraw/zinc/35/51/33/842355133.db2.gz QPXONNWFKIVMDQ-LLVKDONJSA-N 1 2 286.295 0.295 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)S ZINC001176385865 842362961 /nfs/dbraw/zinc/36/29/61/842362961.db2.gz YQZFQKDDJGVEFG-SNVBAGLBSA-N 1 2 284.385 0.282 20 30 CCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)S ZINC001176385865 842362947 /nfs/dbraw/zinc/36/29/47/842362947.db2.gz YQZFQKDDJGVEFG-SNVBAGLBSA-N 1 2 284.385 0.282 20 30 CCEDLO CO/N=C(\C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC001177353523 842562233 /nfs/dbraw/zinc/56/22/33/842562233.db2.gz PBQRWFVNDNABQQ-ZYUPPKHXSA-N 1 2 281.312 0.077 20 30 CCEDLO CO/N=C(\C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC001177353523 842562244 /nfs/dbraw/zinc/56/22/44/842562244.db2.gz PBQRWFVNDNABQQ-ZYUPPKHXSA-N 1 2 281.312 0.077 20 30 CCEDLO C#Cc1cnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C#C)n1 ZINC001178100927 842754665 /nfs/dbraw/zinc/75/46/65/842754665.db2.gz JYFLEOVRPSECQJ-NSHDSACASA-N 1 2 291.314 0.837 20 30 CCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C[NH+](C)C1 ZINC001179587764 843021057 /nfs/dbraw/zinc/02/10/57/843021057.db2.gz NOCXWFDPLSVCCP-NSHDSACASA-N 1 2 281.356 0.333 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(CO)cc2)CC1 ZINC001179659683 843032137 /nfs/dbraw/zinc/03/21/37/843032137.db2.gz FHQUZILNAPAIOZ-UHFFFAOYSA-N 1 2 290.363 0.888 20 30 CCEDLO C[C@H](C#N)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001179900358 843071837 /nfs/dbraw/zinc/07/18/37/843071837.db2.gz IBWDBPIKYVXCCG-RQJHMYQMSA-N 1 2 250.327 0.645 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182505048 843847739 /nfs/dbraw/zinc/84/77/39/843847739.db2.gz PFJMDUOVRJGFRG-GHMZBOCLSA-N 1 2 294.380 0.267 20 30 CCEDLO COCC#CC(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001187139001 844658832 /nfs/dbraw/zinc/65/88/32/844658832.db2.gz OBHRCMHSAQJENI-ZDUSSCGKSA-N 1 2 282.384 0.499 20 30 CCEDLO CN(CC#N)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001273591232 845307135 /nfs/dbraw/zinc/30/71/35/845307135.db2.gz JJYHBGLWQXCJAS-UHFFFAOYSA-N 1 2 277.372 0.967 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001190095661 845321149 /nfs/dbraw/zinc/32/11/49/845321149.db2.gz VPPDSFYFVUUCDL-TZMCWYRMSA-N 1 2 291.351 0.746 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190095661 845321157 /nfs/dbraw/zinc/32/11/57/845321157.db2.gz VPPDSFYFVUUCDL-TZMCWYRMSA-N 1 2 291.351 0.746 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC001190225481 845358885 /nfs/dbraw/zinc/35/88/85/845358885.db2.gz GLTILRJTIJITIK-LBPRGKRZSA-N 1 2 283.372 0.697 20 30 CCEDLO N#Cc1cc(C(=O)NCC2([NH+]3CCCC3)COC2)ccn1 ZINC001191558166 845689690 /nfs/dbraw/zinc/68/96/90/845689690.db2.gz NCFSTJJRVQRJSS-UHFFFAOYSA-N 1 2 286.335 0.548 20 30 CCEDLO Cc1c[nH]c(CCNC(=O)c2ccnc(C#N)c2)[nH+]1 ZINC001191556246 845690463 /nfs/dbraw/zinc/69/04/63/845690463.db2.gz QGLMLQRGWOKUKJ-UHFFFAOYSA-N 1 2 255.281 0.957 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001191854417 845742095 /nfs/dbraw/zinc/74/20/95/845742095.db2.gz MJMZSLATBKXHPM-NILFDRSVSA-N 1 2 298.346 0.379 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001191854417 845742098 /nfs/dbraw/zinc/74/20/98/845742098.db2.gz MJMZSLATBKXHPM-NILFDRSVSA-N 1 2 298.346 0.379 20 30 CCEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)o1 ZINC001192683010 845891769 /nfs/dbraw/zinc/89/17/69/845891769.db2.gz DVIFCIJBLCPEJI-UHFFFAOYSA-N 1 2 275.308 0.746 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001192771058 845905957 /nfs/dbraw/zinc/90/59/57/845905957.db2.gz ZKZXRVQVOCKSFQ-HUUCEWRRSA-N 1 2 285.347 0.156 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001192771058 845905963 /nfs/dbraw/zinc/90/59/63/845905963.db2.gz ZKZXRVQVOCKSFQ-HUUCEWRRSA-N 1 2 285.347 0.156 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001192960645 845935631 /nfs/dbraw/zinc/93/56/31/845935631.db2.gz BDYHKZXWQOORKN-KBPBESRZSA-N 1 2 291.376 0.798 20 30 CCEDLO N#CCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001192960645 845935635 /nfs/dbraw/zinc/93/56/35/845935635.db2.gz BDYHKZXWQOORKN-KBPBESRZSA-N 1 2 291.376 0.798 20 30 CCEDLO COCCCC[NH+]1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC001193140074 846003649 /nfs/dbraw/zinc/00/36/49/846003649.db2.gz QJRWRGGGLFWEPI-GFCCVEGCSA-N 1 2 289.401 0.272 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001194700062 846346974 /nfs/dbraw/zinc/34/69/74/846346974.db2.gz YOQJMCDZOIIUBN-QWHCGFSZSA-N 1 2 279.384 0.479 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001194700062 846346968 /nfs/dbraw/zinc/34/69/68/846346968.db2.gz YOQJMCDZOIIUBN-QWHCGFSZSA-N 1 2 279.384 0.479 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194863467 846407088 /nfs/dbraw/zinc/40/70/88/846407088.db2.gz NFBBEIGMLUYCHB-UHFFFAOYSA-N 1 2 294.395 0.930 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194863467 846407094 /nfs/dbraw/zinc/40/70/94/846407094.db2.gz NFBBEIGMLUYCHB-UHFFFAOYSA-N 1 2 294.395 0.930 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)OC)CO2 ZINC001273688010 846428448 /nfs/dbraw/zinc/42/84/48/846428448.db2.gz VDJXGOLFDRWXDJ-QWHCGFSZSA-N 1 2 282.384 0.947 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)COC(C)C)CC1 ZINC001195071483 846451500 /nfs/dbraw/zinc/45/15/00/846451500.db2.gz DLEIKBYVSKOTKW-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)COC(C)C)CC1 ZINC001195071483 846451507 /nfs/dbraw/zinc/45/15/07/846451507.db2.gz DLEIKBYVSKOTKW-UHFFFAOYSA-N 1 2 297.399 0.248 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001195390947 846527983 /nfs/dbraw/zinc/52/79/83/846527983.db2.gz ZTBRZKWVMYHFEW-HUUCEWRRSA-N 1 2 294.395 0.544 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001195390947 846527991 /nfs/dbraw/zinc/52/79/91/846527991.db2.gz ZTBRZKWVMYHFEW-HUUCEWRRSA-N 1 2 294.395 0.544 20 30 CCEDLO COCC#CC[N@@H+]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001195394429 846529104 /nfs/dbraw/zinc/52/91/04/846529104.db2.gz POIPLHAUBZPVMJ-UHFFFAOYSA-N 1 2 290.367 0.136 20 30 CCEDLO COCC#CC[N@H+]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001195394429 846529110 /nfs/dbraw/zinc/52/91/10/846529110.db2.gz POIPLHAUBZPVMJ-UHFFFAOYSA-N 1 2 290.367 0.136 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001195747223 846618922 /nfs/dbraw/zinc/61/89/22/846618922.db2.gz NMIICKNBFIIIJI-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001195747223 846618930 /nfs/dbraw/zinc/61/89/30/846618930.db2.gz NMIICKNBFIIIJI-UHFFFAOYSA-N 1 2 291.395 0.412 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001195990978 846671219 /nfs/dbraw/zinc/67/12/19/846671219.db2.gz RWLFPKFTAMLXRS-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001195990978 846671225 /nfs/dbraw/zinc/67/12/25/846671225.db2.gz RWLFPKFTAMLXRS-ZIAGYGMSSA-N 1 2 294.395 0.378 20 30 CCEDLO N#Cc1cccnc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001196553596 846774739 /nfs/dbraw/zinc/77/47/39/846774739.db2.gz UDNZQYKEYKGKPZ-UHFFFAOYSA-N 1 2 267.292 0.848 20 30 CCEDLO Cn1c[nH+]c(CCNC(=O)c2ncccc2C#N)c1 ZINC001196561368 846776627 /nfs/dbraw/zinc/77/66/27/846776627.db2.gz QDFUUYJPNDBJSN-UHFFFAOYSA-N 1 2 255.281 0.659 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196754827 846799006 /nfs/dbraw/zinc/79/90/06/846799006.db2.gz XYBJMHFLIMQZBF-CQSZACIVSA-N 1 2 293.411 0.978 20 30 CCEDLO C#CCCCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196754827 846799009 /nfs/dbraw/zinc/79/90/09/846799009.db2.gz XYBJMHFLIMQZBF-CQSZACIVSA-N 1 2 293.411 0.978 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001196883788 846808351 /nfs/dbraw/zinc/80/83/51/846808351.db2.gz TZQWKSHSVPAMAU-MRVWCRGKSA-N 1 2 276.336 0.253 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001196883788 846808355 /nfs/dbraw/zinc/80/83/55/846808355.db2.gz TZQWKSHSVPAMAU-MRVWCRGKSA-N 1 2 276.336 0.253 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001197244590 846886556 /nfs/dbraw/zinc/88/65/56/846886556.db2.gz XXDGTPMSGSBBDR-RBSFLKMASA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001197244590 846886560 /nfs/dbraw/zinc/88/65/60/846886560.db2.gz XXDGTPMSGSBBDR-RBSFLKMASA-N 1 2 296.411 0.480 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197267846 846889457 /nfs/dbraw/zinc/88/94/57/846889457.db2.gz ZMJIPCWTWVQGMC-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197267846 846889458 /nfs/dbraw/zinc/88/94/58/846889458.db2.gz ZMJIPCWTWVQGMC-RRFJBIMHSA-N 1 2 296.411 0.624 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770320 847153964 /nfs/dbraw/zinc/15/39/64/847153964.db2.gz MUDLFTQWNDAGRE-AWEZNQCLSA-N 1 2 274.324 0.436 20 30 CCEDLO C#CCN1CC[C@]2(CC[N@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770320 847153967 /nfs/dbraw/zinc/15/39/67/847153967.db2.gz MUDLFTQWNDAGRE-AWEZNQCLSA-N 1 2 274.324 0.436 20 30 CCEDLO C#CCOC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001251836315 847184079 /nfs/dbraw/zinc/18/40/79/847184079.db2.gz XVOSINDLKKETRM-VWYCJHECSA-N 1 2 299.264 0.334 20 30 CCEDLO C#CCOC[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001251836315 847184088 /nfs/dbraw/zinc/18/40/88/847184088.db2.gz XVOSINDLKKETRM-VWYCJHECSA-N 1 2 299.264 0.334 20 30 CCEDLO C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201494310 847786730 /nfs/dbraw/zinc/78/67/30/847786730.db2.gz QTBRFSVLVMIXKZ-AWEZNQCLSA-N 1 2 292.383 0.735 20 30 CCEDLO Cc1nnc(C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N)s1 ZINC001273909545 847819588 /nfs/dbraw/zinc/81/95/88/847819588.db2.gz HVQKPIZQJAFCQD-ZBJFTSOASA-N 1 2 279.369 0.768 20 30 CCEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001153148170 847933887 /nfs/dbraw/zinc/93/38/87/847933887.db2.gz ABXWNPXUKJQQHE-WDEREUQCSA-N 1 2 296.371 0.990 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001110652536 847942648 /nfs/dbraw/zinc/94/26/48/847942648.db2.gz JASVLHDVBBSZBH-UPJWGTAASA-N 1 2 289.379 0.387 20 30 CCEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001110652536 847942650 /nfs/dbraw/zinc/94/26/50/847942650.db2.gz JASVLHDVBBSZBH-UPJWGTAASA-N 1 2 289.379 0.387 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](COCCOC)C2)OCC1=O ZINC001273994839 848231360 /nfs/dbraw/zinc/23/13/60/848231360.db2.gz CALAXSINSRVYHK-HNNXBMFYSA-N 1 2 298.383 0.486 20 30 CCEDLO C=C(C)CN1C[C@@]2(CC[N@H+](COCCOC)C2)OCC1=O ZINC001273994839 848231367 /nfs/dbraw/zinc/23/13/67/848231367.db2.gz CALAXSINSRVYHK-HNNXBMFYSA-N 1 2 298.383 0.486 20 30 CCEDLO COCCOC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001273995401 848235719 /nfs/dbraw/zinc/23/57/19/848235719.db2.gz HKBAAGPOKPUTGG-ZIAGYGMSSA-N 1 2 295.383 0.976 20 30 CCEDLO COCCOC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001273995401 848235722 /nfs/dbraw/zinc/23/57/22/848235722.db2.gz HKBAAGPOKPUTGG-ZIAGYGMSSA-N 1 2 295.383 0.976 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355323 848457986 /nfs/dbraw/zinc/45/79/86/848457986.db2.gz DUUXBRKAHQTPSW-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355323 848457992 /nfs/dbraw/zinc/45/79/92/848457992.db2.gz DUUXBRKAHQTPSW-AWEZNQCLSA-N 1 2 288.355 0.533 20 30 CCEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001274615145 848524535 /nfs/dbraw/zinc/52/45/35/848524535.db2.gz QMDYGDIQWZQADI-HNNXBMFYSA-N 1 2 294.395 0.803 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)CCC=C)C[C@@]2(F)C1=O ZINC001274621602 848525518 /nfs/dbraw/zinc/52/55/18/848525518.db2.gz VUIBPSOVZPMLGD-AEGPPILISA-N 1 2 298.333 0.521 20 30 CCEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)CCC=C)C[C@@]2(F)C1=O ZINC001274621602 848525522 /nfs/dbraw/zinc/52/55/22/848525522.db2.gz VUIBPSOVZPMLGD-AEGPPILISA-N 1 2 298.333 0.521 20 30 CCEDLO C#CCN1C[C@@]2(CC1=O)COCCN(c1cccc[nH+]1)C2 ZINC001274740004 848557245 /nfs/dbraw/zinc/55/72/45/848557245.db2.gz QIYAENGEEKVEPC-INIZCTEOSA-N 1 2 285.347 0.770 20 30 CCEDLO C[C@H](CNCC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001274819279 848573512 /nfs/dbraw/zinc/57/35/12/848573512.db2.gz XSGYMPNGXYTUAK-GHMZBOCLSA-N 1 2 261.329 0.063 20 30 CCEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc[nH]n4)C3)C2)cc1C#N ZINC001275202022 848663594 /nfs/dbraw/zinc/66/35/94/848663594.db2.gz IXLLXOTZIVTWDP-UHFFFAOYSA-N 1 2 296.378 0.938 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001275558540 848761502 /nfs/dbraw/zinc/76/15/02/848761502.db2.gz DKEPECFFMSBCQK-CHWSQXEVSA-N 1 2 293.367 0.958 20 30 CCEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C ZINC001275558540 848761504 /nfs/dbraw/zinc/76/15/04/848761504.db2.gz DKEPECFFMSBCQK-CHWSQXEVSA-N 1 2 293.367 0.958 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001275865487 848849382 /nfs/dbraw/zinc/84/93/82/848849382.db2.gz KWWWXMWBCVRKDL-NSHDSACASA-N 1 2 274.368 0.972 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001275865487 848849392 /nfs/dbraw/zinc/84/93/92/848849392.db2.gz KWWWXMWBCVRKDL-NSHDSACASA-N 1 2 274.368 0.972 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCCC)C1 ZINC001276028029 848895487 /nfs/dbraw/zinc/89/54/87/848895487.db2.gz OHKCOXSVHLDUEN-UHFFFAOYSA-N 1 2 252.358 0.753 20 30 CCEDLO CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001257052383 849000590 /nfs/dbraw/zinc/00/05/90/849000590.db2.gz OGWSXVQABMRACL-WOPDTQHZSA-N 1 2 251.330 0.516 20 30 CCEDLO C[N@@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])C[C@@H]1CO ZINC000687588636 849111792 /nfs/dbraw/zinc/11/17/92/849111792.db2.gz JJPRALQRHWLUPO-MRVPVSSYSA-N 1 2 282.325 0.641 20 30 CCEDLO C[N@H+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])C[C@@H]1CO ZINC000687588636 849111798 /nfs/dbraw/zinc/11/17/98/849111798.db2.gz JJPRALQRHWLUPO-MRVPVSSYSA-N 1 2 282.325 0.641 20 30 CCEDLO CC(C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276341769 849432811 /nfs/dbraw/zinc/43/28/11/849432811.db2.gz GWDNSGXKEUYACZ-GFCCVEGCSA-N 1 2 294.399 0.499 20 30 CCEDLO C[C@H](NC(=O)C=C1CCC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276369158 849763926 /nfs/dbraw/zinc/76/39/26/849763926.db2.gz NUDVLHJTNUHSTE-NSHDSACASA-N 1 2 290.367 0.173 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038290612 849839881 /nfs/dbraw/zinc/83/98/81/849839881.db2.gz WAFZPFUQWNPBNE-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001038290612 849839892 /nfs/dbraw/zinc/83/98/92/849839892.db2.gz WAFZPFUQWNPBNE-LLVKDONJSA-N 1 2 283.335 0.785 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038432850 849896151 /nfs/dbraw/zinc/89/61/51/849896151.db2.gz YQCSIQXCONSRGL-UKRRQHHQSA-N 1 2 286.379 0.659 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001038432850 849896156 /nfs/dbraw/zinc/89/61/56/849896156.db2.gz YQCSIQXCONSRGL-UKRRQHHQSA-N 1 2 286.379 0.659 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038476769 849918911 /nfs/dbraw/zinc/91/89/11/849918911.db2.gz QWTKGNHUXLVXIE-ZFWWWQNUSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038476769 849918912 /nfs/dbraw/zinc/91/89/12/849918912.db2.gz QWTKGNHUXLVXIE-ZFWWWQNUSA-N 1 2 270.332 0.814 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038581807 849949563 /nfs/dbraw/zinc/94/95/63/849949563.db2.gz LQQVDMUYEYTFMY-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001038581807 849949569 /nfs/dbraw/zinc/94/95/69/849949569.db2.gz LQQVDMUYEYTFMY-NSHDSACASA-N 1 2 259.309 0.528 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001038976054 850107334 /nfs/dbraw/zinc/10/73/34/850107334.db2.gz MFPRKQPKYYOUPX-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001038976054 850107342 /nfs/dbraw/zinc/10/73/42/850107342.db2.gz MFPRKQPKYYOUPX-QWHCGFSZSA-N 1 2 286.379 0.903 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001039046440 850136051 /nfs/dbraw/zinc/13/60/51/850136051.db2.gz MUQHMCBEWZLMMN-DGCLKSJQSA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001039046440 850136060 /nfs/dbraw/zinc/13/60/60/850136060.db2.gz MUQHMCBEWZLMMN-DGCLKSJQSA-N 1 2 272.352 0.338 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001039085398 850153314 /nfs/dbraw/zinc/15/33/14/850153314.db2.gz QHVCTTPUBKSHCW-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001039085398 850153315 /nfs/dbraw/zinc/15/33/15/850153315.db2.gz QHVCTTPUBKSHCW-GFCCVEGCSA-N 1 2 286.335 0.008 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041137928 850380347 /nfs/dbraw/zinc/38/03/47/850380347.db2.gz ZKGVKVVEWUTKEK-FZMZJTMJSA-N 1 2 289.339 0.654 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041137928 850380362 /nfs/dbraw/zinc/38/03/62/850380362.db2.gz ZKGVKVVEWUTKEK-FZMZJTMJSA-N 1 2 289.339 0.654 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001042897645 850776930 /nfs/dbraw/zinc/77/69/30/850776930.db2.gz SNCRCTJTCFGPOV-GFCCVEGCSA-N 1 2 279.384 0.621 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001042939780 850783827 /nfs/dbraw/zinc/78/38/27/850783827.db2.gz NNBUKDCFXVYSRJ-UHFFFAOYSA-N 1 2 276.384 0.990 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001043046184 850802599 /nfs/dbraw/zinc/80/25/99/850802599.db2.gz KGIKWCCILGVJKV-UHFFFAOYSA-N 1 2 283.335 0.737 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2Cl)C1 ZINC001043099177 850813087 /nfs/dbraw/zinc/81/30/87/850813087.db2.gz GIYTWWGMWNSBNL-UHFFFAOYSA-N 1 2 280.759 0.853 20 30 CCEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCO)C2)CC1 ZINC001043759886 850932920 /nfs/dbraw/zinc/93/29/20/850932920.db2.gz NVJMSTOKFMPWOD-UHFFFAOYSA-N 1 2 252.358 0.868 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001043850332 850948961 /nfs/dbraw/zinc/94/89/61/850948961.db2.gz BTBZLUAJWHBWAF-AWEZNQCLSA-N 1 2 265.357 0.231 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001043916119 850962500 /nfs/dbraw/zinc/96/25/00/850962500.db2.gz VENBSEBQSQIQCQ-UHFFFAOYSA-N 1 2 260.341 0.806 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001044237641 851048179 /nfs/dbraw/zinc/04/81/79/851048179.db2.gz SQGVRKNVCODFFD-UHFFFAOYSA-N 1 2 297.362 0.748 20 30 CCEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044794635 851160345 /nfs/dbraw/zinc/16/03/45/851160345.db2.gz XLBHQLHBZFQOFD-GHMZBOCLSA-N 1 2 261.329 0.445 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NCC#N)C[C@H]1C ZINC001044840647 851166980 /nfs/dbraw/zinc/16/69/80/851166980.db2.gz KQOIJCZHLOJDFD-PWSUYJOCSA-N 1 2 275.356 0.753 20 30 CCEDLO CS[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046009165 851349960 /nfs/dbraw/zinc/34/99/60/851349960.db2.gz NUPPMLQWGHWZRP-OLZOCXBDSA-N 1 2 296.440 0.480 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046587659 851557467 /nfs/dbraw/zinc/55/74/67/851557467.db2.gz LJFVHIDJIILSCX-JOYOIKCWSA-N 1 2 286.763 0.001 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046587659 851557480 /nfs/dbraw/zinc/55/74/80/851557480.db2.gz LJFVHIDJIILSCX-JOYOIKCWSA-N 1 2 286.763 0.001 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770075 851610294 /nfs/dbraw/zinc/61/02/94/851610294.db2.gz BYUDDDSABPYLEJ-NHYWBVRUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001046770075 851610303 /nfs/dbraw/zinc/61/03/03/851610303.db2.gz BYUDDDSABPYLEJ-NHYWBVRUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770075 851610311 /nfs/dbraw/zinc/61/03/11/851610311.db2.gz BYUDDDSABPYLEJ-NHYWBVRUSA-N 1 2 287.367 0.123 20 30 CCEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001046770075 851610317 /nfs/dbraw/zinc/61/03/17/851610317.db2.gz BYUDDDSABPYLEJ-NHYWBVRUSA-N 1 2 287.367 0.123 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001047300271 851703897 /nfs/dbraw/zinc/70/38/97/851703897.db2.gz SIIYNPIWBJSQDC-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001047300271 851703903 /nfs/dbraw/zinc/70/39/03/851703903.db2.gz SIIYNPIWBJSQDC-STQMWFEESA-N 1 2 291.351 0.432 20 30 CCEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2F)C1 ZINC001047333066 851722643 /nfs/dbraw/zinc/72/26/43/851722643.db2.gz NMAOBPOKKFRQOO-KBPBESRZSA-N 1 2 291.326 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2F)C1 ZINC001047333066 851722644 /nfs/dbraw/zinc/72/26/44/851722644.db2.gz NMAOBPOKKFRQOO-KBPBESRZSA-N 1 2 291.326 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047371133 851743160 /nfs/dbraw/zinc/74/31/60/851743160.db2.gz YGUKNNIBKUYPDL-QWRGUYRKSA-N 1 2 282.340 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047371133 851743169 /nfs/dbraw/zinc/74/31/69/851743169.db2.gz YGUKNNIBKUYPDL-QWRGUYRKSA-N 1 2 282.340 0.638 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001047553715 851813565 /nfs/dbraw/zinc/81/35/65/851813565.db2.gz SZOGGUXLDOLIFA-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001047553715 851813573 /nfs/dbraw/zinc/81/35/73/851813573.db2.gz SZOGGUXLDOLIFA-STQMWFEESA-N 1 2 291.351 0.548 20 30 CCEDLO Cc1nc(N2CC[C@H](NC(=O)CSCC#N)C2)cc[nH+]1 ZINC001096328750 851927847 /nfs/dbraw/zinc/92/78/47/851927847.db2.gz IAQNCDCPFAZHRB-NSHDSACASA-N 1 2 291.380 0.737 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)[nH]1 ZINC001048725793 852035719 /nfs/dbraw/zinc/03/57/19/852035719.db2.gz VYSLONXTOGGBBY-JLLWLGSASA-N 1 2 288.355 0.163 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)[nH]1 ZINC001048725793 852035722 /nfs/dbraw/zinc/03/57/22/852035722.db2.gz VYSLONXTOGGBBY-JLLWLGSASA-N 1 2 288.355 0.163 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnns1 ZINC001049353787 852239052 /nfs/dbraw/zinc/23/90/52/852239052.db2.gz NFVODPYXGSNENX-GHMZBOCLSA-N 1 2 276.365 0.850 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnns1 ZINC001049353787 852239064 /nfs/dbraw/zinc/23/90/64/852239064.db2.gz NFVODPYXGSNENX-GHMZBOCLSA-N 1 2 276.365 0.850 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001097791821 852614965 /nfs/dbraw/zinc/61/49/65/852614965.db2.gz GSEWXJOUNPHFML-SNVBAGLBSA-N 1 2 299.338 0.621 20 30 CCEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001097793486 852616432 /nfs/dbraw/zinc/61/64/32/852616432.db2.gz ZZCOAMMCMQZYLD-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO N#CCN1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052822851 852658971 /nfs/dbraw/zinc/65/89/71/852658971.db2.gz TUNVVTBXFARZSE-LLVKDONJSA-N 1 2 261.329 0.446 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C)c[nH]1)O2 ZINC001053675846 852774261 /nfs/dbraw/zinc/77/42/61/852774261.db2.gz UAZRMQOYFUFONR-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nonc1C)O2 ZINC001053703733 852778156 /nfs/dbraw/zinc/77/81/56/852778156.db2.gz LXUVKZWSGCIDLT-LLVKDONJSA-N 1 2 292.339 0.527 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCOC1)CO2 ZINC001053762659 852811614 /nfs/dbraw/zinc/81/16/14/852811614.db2.gz DVIGYSNCMSLXHU-ZIAGYGMSSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)cn1)CO2 ZINC001053776467 852815989 /nfs/dbraw/zinc/81/59/89/852815989.db2.gz YQKFRTSLWNXKCG-LBPRGKRZSA-N 1 2 288.351 0.017 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C)c1)CO2 ZINC001053776510 852816472 /nfs/dbraw/zinc/81/64/72/852816472.db2.gz ZPOJVHUNJCJMPP-AWEZNQCLSA-N 1 2 287.363 0.622 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cnoc1)CO2 ZINC001053901326 852841825 /nfs/dbraw/zinc/84/18/25/852841825.db2.gz FUFDVUKTNMUJRK-CYBMUJFWSA-N 1 2 291.351 0.753 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]cc1C)CO2 ZINC001054007170 852865906 /nfs/dbraw/zinc/86/59/06/852865906.db2.gz ZEBUQGMEBBDVCX-ZDUSSCGKSA-N 1 2 287.363 0.920 20 30 CCEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC001097921406 852871398 /nfs/dbraw/zinc/87/13/98/852871398.db2.gz ICAJSSIJYADWLE-SNVBAGLBSA-N 1 2 285.311 0.162 20 30 CCEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001097935783 852898786 /nfs/dbraw/zinc/89/87/86/852898786.db2.gz MACTXHOBHWTGHB-UTUOFQBUSA-N 1 2 259.313 0.197 20 30 CCEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]nnc3C)cc2C1 ZINC001054276793 852899879 /nfs/dbraw/zinc/89/98/79/852899879.db2.gz VYPPHBLDROSHEJ-UHFFFAOYSA-N 1 2 295.346 0.992 20 30 CCEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]nnc3C)cc2C1 ZINC001054276793 852899885 /nfs/dbraw/zinc/89/98/85/852899885.db2.gz VYPPHBLDROSHEJ-UHFFFAOYSA-N 1 2 295.346 0.992 20 30 CCEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NCC#N ZINC001054952495 853043865 /nfs/dbraw/zinc/04/38/65/853043865.db2.gz VDMROTNIIROCAD-NEPJUHHUSA-N 1 2 261.329 0.233 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2CN(CC#N)C[C@H]21 ZINC001050183907 853331618 /nfs/dbraw/zinc/33/16/18/853331618.db2.gz WRYZELXPTOMNSG-GXTWGEPZSA-N 1 2 287.367 0.409 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001050540360 853395513 /nfs/dbraw/zinc/39/55/13/853395513.db2.gz ITFYNXSGXREULY-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001050540360 853395525 /nfs/dbraw/zinc/39/55/25/853395525.db2.gz ITFYNXSGXREULY-UHFFFAOYSA-N 1 2 287.367 0.790 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)c1 ZINC001050864601 853467508 /nfs/dbraw/zinc/46/75/08/853467508.db2.gz DUZDFVFYMASVKZ-ZDUSSCGKSA-N 1 2 288.351 0.727 20 30 CCEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)c1 ZINC001050864601 853467515 /nfs/dbraw/zinc/46/75/15/853467515.db2.gz DUZDFVFYMASVKZ-ZDUSSCGKSA-N 1 2 288.351 0.727 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001050915518 853484498 /nfs/dbraw/zinc/48/44/98/853484498.db2.gz VXWWMGBTJXFLGP-GFCCVEGCSA-N 1 2 278.356 0.807 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001050915518 853484501 /nfs/dbraw/zinc/48/45/01/853484501.db2.gz VXWWMGBTJXFLGP-GFCCVEGCSA-N 1 2 278.356 0.807 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001051057334 853512270 /nfs/dbraw/zinc/51/22/70/853512270.db2.gz DGGGQXCYOBQWGD-NSHDSACASA-N 1 2 279.344 0.120 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001051057334 853512274 /nfs/dbraw/zinc/51/22/74/853512274.db2.gz DGGGQXCYOBQWGD-NSHDSACASA-N 1 2 279.344 0.120 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CCC)nn1 ZINC001051156338 853535585 /nfs/dbraw/zinc/53/55/85/853535585.db2.gz QHUHARMJYUCOBR-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CCC)nn1 ZINC001051156338 853535589 /nfs/dbraw/zinc/53/55/89/853535589.db2.gz QHUHARMJYUCOBR-LBPRGKRZSA-N 1 2 293.371 0.305 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)cn1 ZINC001051211294 853547847 /nfs/dbraw/zinc/54/78/47/853547847.db2.gz BWQTWYJKUMMTKV-MRXNPFEDSA-N 1 2 299.374 0.904 20 30 CCEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)cn1 ZINC001051211294 853547848 /nfs/dbraw/zinc/54/78/48/853547848.db2.gz BWQTWYJKUMMTKV-MRXNPFEDSA-N 1 2 299.374 0.904 20 30 CCEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccon3)C2)CC1 ZINC001051989210 853669196 /nfs/dbraw/zinc/66/91/96/853669196.db2.gz DUSFLITZBLWJJM-ZDUSSCGKSA-N 1 2 290.367 0.693 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051988135 853669510 /nfs/dbraw/zinc/66/95/10/853669510.db2.gz USKOMJLXLCFGDG-GJZGRUSLSA-N 1 2 277.412 0.884 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051998652 853673857 /nfs/dbraw/zinc/67/38/57/853673857.db2.gz XDPSLWMPJDENMC-QWHCGFSZSA-N 1 2 282.363 0.334 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052065525 853681325 /nfs/dbraw/zinc/68/13/25/853681325.db2.gz OWKHEMZDQXRMBY-KKUMJFAQSA-N 1 2 275.396 0.494 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001052088913 853682248 /nfs/dbraw/zinc/68/22/48/853682248.db2.gz NDJJUSFDZQQWGB-BZUAXINKSA-N 1 2 289.423 0.884 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070037409 854019496 /nfs/dbraw/zinc/01/94/96/854019496.db2.gz VTUJCZGEDTZMEN-XQQFMLRXSA-N 1 2 285.351 0.053 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@@H](n2ccnn2)C1 ZINC001070037409 854019502 /nfs/dbraw/zinc/01/95/02/854019502.db2.gz VTUJCZGEDTZMEN-XQQFMLRXSA-N 1 2 285.351 0.053 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC#N ZINC001070646786 854084543 /nfs/dbraw/zinc/08/45/43/854084543.db2.gz VKSYQEQHJKROSI-ZIAGYGMSSA-N 1 2 297.362 0.241 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CCC2)CC1 ZINC001070928889 854102485 /nfs/dbraw/zinc/10/24/85/854102485.db2.gz HOSQPEPATVKAIM-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2CCC2)CC1 ZINC001070928889 854102492 /nfs/dbraw/zinc/10/24/92/854102492.db2.gz HOSQPEPATVKAIM-UHFFFAOYSA-N 1 2 279.384 0.623 20 30 CCEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001071004479 854113977 /nfs/dbraw/zinc/11/39/77/854113977.db2.gz HUICNALIGGJROA-ZDUSSCGKSA-N 1 2 291.395 0.623 20 30 CCEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001071004479 854113978 /nfs/dbraw/zinc/11/39/78/854113978.db2.gz HUICNALIGGJROA-ZDUSSCGKSA-N 1 2 291.395 0.623 20 30 CCEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)CC[C@@H]1C ZINC001072053878 854341666 /nfs/dbraw/zinc/34/16/66/854341666.db2.gz VWAFTRDTUZUSLM-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)CC[C@@H]1C ZINC001072053878 854341674 /nfs/dbraw/zinc/34/16/74/854341674.db2.gz VWAFTRDTUZUSLM-RYUDHWBXSA-N 1 2 297.790 1.000 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1C)C2 ZINC001072559416 854416111 /nfs/dbraw/zinc/41/61/11/854416111.db2.gz BABFBINZNOHHPQ-LBPRGKRZSA-N 1 2 287.367 0.614 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1C)C2 ZINC001072559416 854416115 /nfs/dbraw/zinc/41/61/15/854416115.db2.gz BABFBINZNOHHPQ-LBPRGKRZSA-N 1 2 287.367 0.614 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001072602711 854426794 /nfs/dbraw/zinc/42/67/94/854426794.db2.gz LQWBTOMFNPMJMT-NWDGAFQWSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001074418993 854727546 /nfs/dbraw/zinc/72/75/46/854727546.db2.gz CWTBYXFJDJIVHI-KBPBESRZSA-N 1 2 290.367 0.371 20 30 CCEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001074570219 854749971 /nfs/dbraw/zinc/74/99/71/854749971.db2.gz WTVIRCFOEFEVSO-QXEWZRGKSA-N 1 2 277.328 0.617 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc[nH]3)C2)nn1 ZINC001098611840 854872871 /nfs/dbraw/zinc/87/28/71/854872871.db2.gz SPMIWGKADLHZTQ-CYBMUJFWSA-N 1 2 298.350 0.416 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC=CC3)C2)nn1 ZINC001098640761 854873108 /nfs/dbraw/zinc/87/31/08/854873108.db2.gz MMDNGMLSORKXDM-OAHLLOKOSA-N 1 2 299.378 0.741 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccco3)C2)nn1 ZINC001098601880 854873980 /nfs/dbraw/zinc/87/39/80/854873980.db2.gz XBNFQELRVGLDHZ-CYBMUJFWSA-N 1 2 299.334 0.681 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619950 854947043 /nfs/dbraw/zinc/94/70/43/854947043.db2.gz HDAISCJWBFLPGW-MNOVXSKESA-N 1 2 276.764 0.327 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001099619950 854947045 /nfs/dbraw/zinc/94/70/45/854947045.db2.gz HDAISCJWBFLPGW-MNOVXSKESA-N 1 2 276.764 0.327 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001099743336 854982557 /nfs/dbraw/zinc/98/25/57/854982557.db2.gz HZACVGQALYQOFD-RYUDHWBXSA-N 1 2 280.368 0.176 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001099743336 854982569 /nfs/dbraw/zinc/98/25/69/854982569.db2.gz HZACVGQALYQOFD-RYUDHWBXSA-N 1 2 280.368 0.176 20 30 CCEDLO CCc1nc(C[NH2+]C2CC(CNC(=O)[C@H](C)C#N)C2)no1 ZINC001100190226 855114771 /nfs/dbraw/zinc/11/47/71/855114771.db2.gz NNMWQEKMQNMFOC-KPPDAEKUSA-N 1 2 291.355 0.776 20 30 CCEDLO CN(CCNc1cnc(C#N)cn1)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567575 855317409 /nfs/dbraw/zinc/31/74/09/855317409.db2.gz QQOFDJQFJGZVDL-UHFFFAOYSA-N 1 2 299.338 0.574 20 30 CCEDLO CN(CCNc1[nH+]cnc2c1cnn2C)C(=O)C#CC1CC1 ZINC001101595160 855323551 /nfs/dbraw/zinc/32/35/51/855323551.db2.gz IJBUWJUGSIGYMK-UHFFFAOYSA-N 1 2 298.350 0.647 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)c1nccn12 ZINC001101620088 855326559 /nfs/dbraw/zinc/32/65/59/855326559.db2.gz BMXKHIIIURBQNA-CHWSQXEVSA-N 1 2 297.362 0.638 20 30 CCEDLO CN(CCNc1nccnc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001101695053 855346091 /nfs/dbraw/zinc/34/60/91/855346091.db2.gz MNMJIXLJUZZTON-UHFFFAOYSA-N 1 2 299.338 0.195 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115332578 855662647 /nfs/dbraw/zinc/66/26/47/855662647.db2.gz OZGDGRARMSQGLC-FTYKPCCVSA-N 1 2 292.339 0.207 20 30 CCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115332578 855662650 /nfs/dbraw/zinc/66/26/50/855662650.db2.gz OZGDGRARMSQGLC-FTYKPCCVSA-N 1 2 292.339 0.207 20 30 CCEDLO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC001116918177 855866788 /nfs/dbraw/zinc/86/67/88/855866788.db2.gz VOJINLCPPRBXHV-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC001116918177 855866796 /nfs/dbraw/zinc/86/67/96/855866796.db2.gz VOJINLCPPRBXHV-NEPJUHHUSA-N 1 2 286.397 0.140 20 30 CCEDLO N#CCCOCC[NH+]1CCN(CCCCO)CC1 ZINC001117707007 856052426 /nfs/dbraw/zinc/05/24/26/856052426.db2.gz UIPCXXXAFYIEFB-UHFFFAOYSA-N 1 2 255.362 0.307 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C[C@@H](C(=O)OC)OC1=O ZINC001117999740 856131527 /nfs/dbraw/zinc/13/15/27/856131527.db2.gz CKAVYODGDPGWLH-NSHDSACASA-N 1 2 266.297 0.283 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C[C@@H](C(=O)OC)OC1=O ZINC001117999740 856131532 /nfs/dbraw/zinc/13/15/32/856131532.db2.gz CKAVYODGDPGWLH-NSHDSACASA-N 1 2 266.297 0.283 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118708797 856406175 /nfs/dbraw/zinc/40/61/75/856406175.db2.gz FGJLACYWRXEKEX-HUUCEWRRSA-N 1 2 287.363 0.546 20 30 CCEDLO C#C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118708797 856406177 /nfs/dbraw/zinc/40/61/77/856406177.db2.gz FGJLACYWRXEKEX-HUUCEWRRSA-N 1 2 287.363 0.546 20 30 CCEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCO1 ZINC001119345136 856643947 /nfs/dbraw/zinc/64/39/47/856643947.db2.gz IWPTZBZYGSYLQV-GHMZBOCLSA-N 1 2 251.334 0.814 20 30 CCEDLO C=C(CO)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001119641019 856800970 /nfs/dbraw/zinc/80/09/70/856800970.db2.gz RGVZSNHUFOQAIL-UHFFFAOYSA-N 1 2 255.343 0.369 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nn1 ZINC001119979711 856945608 /nfs/dbraw/zinc/94/56/08/856945608.db2.gz QKLGFOXXMNXZMR-SNVBAGLBSA-N 1 2 299.338 0.573 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001323242854 912218521 /nfs/dbraw/zinc/21/85/21/912218521.db2.gz NYKBBWJUDMTBDI-ZDUSSCGKSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001323242854 912218540 /nfs/dbraw/zinc/21/85/40/912218540.db2.gz NYKBBWJUDMTBDI-ZDUSSCGKSA-N 1 2 260.341 0.269 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001323265215 912232417 /nfs/dbraw/zinc/23/24/17/912232417.db2.gz ZHBPBTDJFJVNFZ-CQSZACIVSA-N 1 2 272.352 0.584 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001323265215 912232434 /nfs/dbraw/zinc/23/24/34/912232434.db2.gz ZHBPBTDJFJVNFZ-CQSZACIVSA-N 1 2 272.352 0.584 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCn2ccnn2)C1 ZINC001323910861 912579088 /nfs/dbraw/zinc/57/90/88/912579088.db2.gz YMGDPCMKCMSFBF-UHFFFAOYSA-N 1 2 263.345 0.387 20 30 CCEDLO CCC(CC)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001324576340 912916801 /nfs/dbraw/zinc/91/68/01/912916801.db2.gz XDHMKRZGIPIZHE-OAHLLOKOSA-N 1 2 294.399 0.643 20 30 CCEDLO CCC(CC)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001324576340 912916808 /nfs/dbraw/zinc/91/68/08/912916808.db2.gz XDHMKRZGIPIZHE-OAHLLOKOSA-N 1 2 294.399 0.643 20 30 CCEDLO C=C[C@@H](COC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001324913294 913094790 /nfs/dbraw/zinc/09/47/90/913094790.db2.gz WBDARQCIWRBJBW-JSGCOSHPSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C[C@@H](COC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001324913294 913094805 /nfs/dbraw/zinc/09/48/05/913094805.db2.gz WBDARQCIWRBJBW-JSGCOSHPSA-N 1 2 282.384 0.947 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)Cc2cnn(CC)c2)C1 ZINC001325297796 913326437 /nfs/dbraw/zinc/32/64/37/913326437.db2.gz KLVCQPRBMXYLTJ-UHFFFAOYSA-N 1 2 292.383 0.185 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862014 891403154 /nfs/dbraw/zinc/40/31/54/891403154.db2.gz HXRWIUWCHOINSG-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001480862014 891403156 /nfs/dbraw/zinc/40/31/56/891403156.db2.gz HXRWIUWCHOINSG-GFCCVEGCSA-N 1 2 279.384 0.363 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001347378348 891565793 /nfs/dbraw/zinc/56/57/93/891565793.db2.gz INZUEDZWWJWIDE-NSHDSACASA-N 1 2 261.325 0.595 20 30 CCEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001481226173 892395301 /nfs/dbraw/zinc/39/53/01/892395301.db2.gz XJSUWWYKNHIGNM-YGRLFVJLSA-N 1 2 296.371 0.814 20 30 CCEDLO Cc1conc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481472250 892715959 /nfs/dbraw/zinc/71/59/59/892715959.db2.gz JAMUDMDOOSENPU-UHFFFAOYSA-N 1 2 291.355 0.196 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001481535817 892785138 /nfs/dbraw/zinc/78/51/38/892785138.db2.gz XHHKYPMWQGMWLR-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001481535817 892785141 /nfs/dbraw/zinc/78/51/41/892785141.db2.gz XHHKYPMWQGMWLR-LBPRGKRZSA-N 1 2 288.413 0.578 20 30 CCEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)co1 ZINC001481700620 893034817 /nfs/dbraw/zinc/03/48/17/893034817.db2.gz WVGVJNDCSZAYFJ-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)co1 ZINC001481700620 893034833 /nfs/dbraw/zinc/03/48/33/893034833.db2.gz WVGVJNDCSZAYFJ-GFCCVEGCSA-N 1 2 291.351 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)OCC)C1 ZINC001482182795 893470183 /nfs/dbraw/zinc/47/01/83/893470183.db2.gz OGSJWUAMQJDMAZ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)OCC)C1 ZINC001482182795 893470185 /nfs/dbraw/zinc/47/01/85/893470185.db2.gz OGSJWUAMQJDMAZ-STQMWFEESA-N 1 2 270.373 0.805 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NCC1CCC1 ZINC001496680593 893476985 /nfs/dbraw/zinc/47/69/85/893476985.db2.gz VICYFPKAPNROPF-LBPRGKRZSA-N 1 2 294.399 0.453 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC1CCC1 ZINC001496680593 893476995 /nfs/dbraw/zinc/47/69/95/893476995.db2.gz VICYFPKAPNROPF-LBPRGKRZSA-N 1 2 294.399 0.453 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001482204585 893538444 /nfs/dbraw/zinc/53/84/44/893538444.db2.gz GDTRIJPGIXLRSA-ZIAGYGMSSA-N 1 2 297.399 0.150 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001482204585 893538450 /nfs/dbraw/zinc/53/84/50/893538450.db2.gz GDTRIJPGIXLRSA-ZIAGYGMSSA-N 1 2 297.399 0.150 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001482617537 894416117 /nfs/dbraw/zinc/41/61/17/894416117.db2.gz JJEISUBCOYQCBY-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001482617537 894416123 /nfs/dbraw/zinc/41/61/23/894416123.db2.gz JJEISUBCOYQCBY-UHFFFAOYSA-N 1 2 269.389 0.725 20 30 CCEDLO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001482735357 894537218 /nfs/dbraw/zinc/53/72/18/894537218.db2.gz WUUBENOZJVESSO-ZYHUDNBSSA-N 1 2 296.371 0.862 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)CCC ZINC001272098150 894627629 /nfs/dbraw/zinc/62/76/29/894627629.db2.gz NCSXLZSQTGXMCT-UHFFFAOYSA-N 1 2 295.427 0.952 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)CCC ZINC001272098150 894627635 /nfs/dbraw/zinc/62/76/35/894627635.db2.gz NCSXLZSQTGXMCT-UHFFFAOYSA-N 1 2 295.427 0.952 20 30 CCEDLO CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@@H](C)C#N ZINC001482913865 894693885 /nfs/dbraw/zinc/69/38/85/894693885.db2.gz DPEYCYJLUXEIEN-VIFPVBQESA-N 1 2 265.317 0.476 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001482921949 894698325 /nfs/dbraw/zinc/69/83/25/894698325.db2.gz UIKBYRFUAAMZQY-CQSZACIVSA-N 1 2 296.371 0.643 20 30 CCEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030447031 895718509 /nfs/dbraw/zinc/71/85/09/895718509.db2.gz GINGWTCICHRRGW-LLVKDONJSA-N 1 2 263.341 0.469 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001483822458 896063311 /nfs/dbraw/zinc/06/33/11/896063311.db2.gz BSKNXXKPFFDSIQ-UPJWGTAASA-N 1 2 279.384 0.892 20 30 CCEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001483822458 896063324 /nfs/dbraw/zinc/06/33/24/896063324.db2.gz BSKNXXKPFFDSIQ-UPJWGTAASA-N 1 2 279.384 0.892 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CNCC#N ZINC001483947630 896129596 /nfs/dbraw/zinc/12/95/96/896129596.db2.gz UCMRWZXVVBFQOU-YPMHNXCESA-N 1 2 275.356 0.692 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CNCC#N ZINC001483947630 896129602 /nfs/dbraw/zinc/12/96/02/896129602.db2.gz UCMRWZXVVBFQOU-YPMHNXCESA-N 1 2 275.356 0.692 20 30 CCEDLO COc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)on1 ZINC001484038394 896165605 /nfs/dbraw/zinc/16/56/05/896165605.db2.gz VIOUEBLXARZTBS-HZMBPMFUSA-N 1 2 292.339 0.923 20 30 CCEDLO COc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)on1 ZINC001484038394 896165613 /nfs/dbraw/zinc/16/56/13/896165613.db2.gz VIOUEBLXARZTBS-HZMBPMFUSA-N 1 2 292.339 0.923 20 30 CCEDLO C[C@@H](CC(=O)N[C@@]1(C)CCN(CC#N)C1)n1cc[nH+]c1 ZINC001484061906 896179590 /nfs/dbraw/zinc/17/95/90/896179590.db2.gz YJDZCZNATLZSKC-JSGCOSHPSA-N 1 2 275.356 0.938 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)COCC ZINC001326611741 914049013 /nfs/dbraw/zinc/04/90/13/914049013.db2.gz MOIZFIFULRRHIP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)COCC ZINC001326611741 914049020 /nfs/dbraw/zinc/04/90/20/914049020.db2.gz MOIZFIFULRRHIP-GFCCVEGCSA-N 1 2 256.346 0.416 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001484301224 896329707 /nfs/dbraw/zinc/32/97/07/896329707.db2.gz GMGQMEHDXFHYMK-UHFFFAOYSA-N 1 2 298.346 0.363 20 30 CCEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNCC#N ZINC001484381554 896372320 /nfs/dbraw/zinc/37/23/20/896372320.db2.gz WUQHCCKLHAHZDO-QWRGUYRKSA-N 1 2 261.329 0.160 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2conc2C)C1 ZINC001484443681 896410053 /nfs/dbraw/zinc/41/00/53/896410053.db2.gz NPAJJIMMEPBMJR-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2conc2C)C1 ZINC001484443681 896410063 /nfs/dbraw/zinc/41/00/63/896410063.db2.gz NPAJJIMMEPBMJR-CQSZACIVSA-N 1 2 277.324 0.173 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(CCCO)CC2)C1 ZINC001484702063 896545071 /nfs/dbraw/zinc/54/50/71/896545071.db2.gz RTWKAPFYYCNTTA-OAHLLOKOSA-N 1 2 295.427 0.554 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001484709431 896561368 /nfs/dbraw/zinc/56/13/68/896561368.db2.gz HVSVZBPZWQXFPO-LBPRGKRZSA-N 1 2 292.387 0.647 20 30 CCEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001484709431 896561379 /nfs/dbraw/zinc/56/13/79/896561379.db2.gz HVSVZBPZWQXFPO-LBPRGKRZSA-N 1 2 292.387 0.647 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)OC)CO2 ZINC001484792326 896608445 /nfs/dbraw/zinc/60/84/45/896608445.db2.gz KHRLRQXIDYTASU-QWHCGFSZSA-N 1 2 280.368 0.394 20 30 CCEDLO CCn1nncc1C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001485288909 896919538 /nfs/dbraw/zinc/91/95/38/896919538.db2.gz XETJJRHMPYBKHP-GHMZBOCLSA-N 1 2 278.360 0.394 20 30 CCEDLO CCn1nncc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001485288909 896919545 /nfs/dbraw/zinc/91/95/45/896919545.db2.gz XETJJRHMPYBKHP-GHMZBOCLSA-N 1 2 278.360 0.394 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001485344984 896970822 /nfs/dbraw/zinc/97/08/22/896970822.db2.gz ICOCBRPPCMHYAH-VIFPVBQESA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001485344984 896970831 /nfs/dbraw/zinc/97/08/31/896970831.db2.gz ICOCBRPPCMHYAH-VIFPVBQESA-N 1 2 273.764 0.441 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001485494479 897081688 /nfs/dbraw/zinc/08/16/88/897081688.db2.gz FHMYSCZHNBURDK-GFCCVEGCSA-N 1 2 291.395 0.691 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(COC)CC3)C2)C1 ZINC001485556477 897115870 /nfs/dbraw/zinc/11/58/70/897115870.db2.gz MQYJXYLHRKZCCA-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(COC)CC3)C2)C1 ZINC001485556477 897115879 /nfs/dbraw/zinc/11/58/79/897115879.db2.gz MQYJXYLHRKZCCA-INIZCTEOSA-N 1 2 294.395 0.902 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001077723714 897335380 /nfs/dbraw/zinc/33/53/80/897335380.db2.gz XOXQKGVVRDWJIZ-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001077723714 897335387 /nfs/dbraw/zinc/33/53/87/897335387.db2.gz XOXQKGVVRDWJIZ-CHWSQXEVSA-N 1 2 296.729 0.887 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868825 897390943 /nfs/dbraw/zinc/39/09/43/897390943.db2.gz ZGFOOUYEEXAOQH-INIZCTEOSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868825 897390957 /nfs/dbraw/zinc/39/09/57/897390957.db2.gz ZGFOOUYEEXAOQH-INIZCTEOSA-N 1 2 289.379 0.869 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001077764353 897439636 /nfs/dbraw/zinc/43/96/36/897439636.db2.gz MQMKGJPVYHHSBI-VXGBXAGGSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001077764353 897439646 /nfs/dbraw/zinc/43/96/46/897439646.db2.gz MQMKGJPVYHHSBI-VXGBXAGGSA-N 1 2 277.324 0.035 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2OCCCO2)C1 ZINC001107895180 897453619 /nfs/dbraw/zinc/45/36/19/897453619.db2.gz IPNJTHFMQVQGEP-OAHLLOKOSA-N 1 2 298.383 0.533 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2OCCCO2)C1 ZINC001107895180 897453624 /nfs/dbraw/zinc/45/36/24/897453624.db2.gz IPNJTHFMQVQGEP-OAHLLOKOSA-N 1 2 298.383 0.533 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107940366 897532065 /nfs/dbraw/zinc/53/20/65/897532065.db2.gz RRNXYWFKBJCNMD-HOCLYGCPSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107940366 897532076 /nfs/dbraw/zinc/53/20/76/897532076.db2.gz RRNXYWFKBJCNMD-HOCLYGCPSA-N 1 2 292.379 0.255 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCC2 ZINC001032453452 897586336 /nfs/dbraw/zinc/58/63/36/897586336.db2.gz YHOPZKAJLAEQAS-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCC2 ZINC001032453452 897586356 /nfs/dbraw/zinc/58/63/56/897586356.db2.gz YHOPZKAJLAEQAS-RYUDHWBXSA-N 1 2 270.336 0.361 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]cc2c1 ZINC001032467488 897602008 /nfs/dbraw/zinc/60/20/08/897602008.db2.gz MRCUMMJXJVMLNG-KBPBESRZSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]cc2c1 ZINC001032467488 897602018 /nfs/dbraw/zinc/60/20/18/897602018.db2.gz MRCUMMJXJVMLNG-KBPBESRZSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001032580485 897774977 /nfs/dbraw/zinc/77/49/77/897774977.db2.gz OWYFCSSNNNJCSC-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001032580485 897774990 /nfs/dbraw/zinc/77/49/90/897774990.db2.gz OWYFCSSNNNJCSC-XEZPLFJOSA-N 1 2 289.379 0.211 20 30 CCEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)nn1 ZINC001032675378 897919364 /nfs/dbraw/zinc/91/93/64/897919364.db2.gz UJLKKOHWHFYRPG-KBPBESRZSA-N 1 2 299.378 0.776 20 30 CCEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)nn1 ZINC001032675378 897919368 /nfs/dbraw/zinc/91/93/68/897919368.db2.gz UJLKKOHWHFYRPG-KBPBESRZSA-N 1 2 299.378 0.776 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc2ccccc2n1 ZINC001032738506 898046517 /nfs/dbraw/zinc/04/65/17/898046517.db2.gz FXNPGUPTSHCCHQ-GJZGRUSLSA-N 1 2 294.358 0.955 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc2ccccc2n1 ZINC001032738506 898046521 /nfs/dbraw/zinc/04/65/21/898046521.db2.gz FXNPGUPTSHCCHQ-GJZGRUSLSA-N 1 2 294.358 0.955 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032750517 898082225 /nfs/dbraw/zinc/08/22/25/898082225.db2.gz JBUITUXPUFGZPL-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032750517 898082230 /nfs/dbraw/zinc/08/22/30/898082230.db2.gz JBUITUXPUFGZPL-RYUDHWBXSA-N 1 2 271.320 0.622 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1COCC[N@H+]1CCC[C@@H](C)O ZINC001272859109 898086798 /nfs/dbraw/zinc/08/67/98/898086798.db2.gz LOJDCLZQOFZFSH-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO CC(C)C#CC(=O)NC[C@H]1COCC[N@@H+]1CCC[C@@H](C)O ZINC001272859109 898086808 /nfs/dbraw/zinc/08/68/08/898086808.db2.gz LOJDCLZQOFZFSH-CABCVRRESA-N 1 2 296.411 0.624 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001077984370 898141445 /nfs/dbraw/zinc/14/14/45/898141445.db2.gz LQKRCKMMPXEUGO-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001077984370 898141451 /nfs/dbraw/zinc/14/14/51/898141451.db2.gz LQKRCKMMPXEUGO-ZIAGYGMSSA-N 1 2 298.346 0.133 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001078033501 898193607 /nfs/dbraw/zinc/19/36/07/898193607.db2.gz NJUCZOFVUHDIQJ-BPLDGKMQSA-N 1 2 272.348 0.585 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001078033501 898193613 /nfs/dbraw/zinc/19/36/13/898193613.db2.gz NJUCZOFVUHDIQJ-BPLDGKMQSA-N 1 2 272.348 0.585 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078034943 898197773 /nfs/dbraw/zinc/19/77/73/898197773.db2.gz GBEALWOFLFGBNV-LBPRGKRZSA-N 1 2 290.367 0.623 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001078117710 898253398 /nfs/dbraw/zinc/25/33/98/898253398.db2.gz KISYKJAVVMRXAC-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001078117710 898253414 /nfs/dbraw/zinc/25/34/14/898253414.db2.gz KISYKJAVVMRXAC-HUUCEWRRSA-N 1 2 272.348 0.712 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001078160376 898275224 /nfs/dbraw/zinc/27/52/24/898275224.db2.gz XIXVGDBFZONFMC-HZPDHXFCSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001078160376 898275240 /nfs/dbraw/zinc/27/52/40/898275240.db2.gz XIXVGDBFZONFMC-HZPDHXFCSA-N 1 2 284.359 0.583 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1cccnc1)N(C)C ZINC001032804481 898384529 /nfs/dbraw/zinc/38/45/29/898384529.db2.gz IXUHUUTZIGKBBZ-HRCADAONSA-N 1 2 298.390 0.603 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1cccnc1)N(C)C ZINC001032804481 898384539 /nfs/dbraw/zinc/38/45/39/898384539.db2.gz IXUHUUTZIGKBBZ-HRCADAONSA-N 1 2 298.390 0.603 20 30 CCEDLO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C(F)C(F)(F)F ZINC001485995135 898583032 /nfs/dbraw/zinc/58/30/32/898583032.db2.gz HAGWJEREFVFHIM-IUCAKERBSA-N 1 2 286.269 0.920 20 30 CCEDLO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H](F)C(F)(F)F ZINC001485995135 898583039 /nfs/dbraw/zinc/58/30/39/898583039.db2.gz HAGWJEREFVFHIM-IUCAKERBSA-N 1 2 286.269 0.920 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486022428 898597411 /nfs/dbraw/zinc/59/74/11/898597411.db2.gz BXAAFPRSQDRSAV-LBPRGKRZSA-N 1 2 281.356 0.844 20 30 CCEDLO C=CCC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486036906 898623564 /nfs/dbraw/zinc/62/35/64/898623564.db2.gz AZTRDTXILHWELR-LBPRGKRZSA-N 1 2 281.356 0.844 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CCCF)CCC[N@@H+]1CC(=O)NCC#N ZINC001486178379 898700039 /nfs/dbraw/zinc/70/00/39/898700039.db2.gz CPYUHZVXNZQHNL-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO C[C@H]1[C@@H](NC(=O)CCCF)CCC[N@H+]1CC(=O)NCC#N ZINC001486178379 898700047 /nfs/dbraw/zinc/70/00/47/898700047.db2.gz CPYUHZVXNZQHNL-RYUDHWBXSA-N 1 2 298.362 0.345 20 30 CCEDLO COCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001410352724 899362930 /nfs/dbraw/zinc/36/29/30/899362930.db2.gz TVXTXUZUTGZMHL-VHSXEESVSA-N 1 2 295.343 0.312 20 30 CCEDLO N#CCS(=O)(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001192933219 900025851 /nfs/dbraw/zinc/02/58/51/900025851.db2.gz LPCLRNGULKKXJB-UHFFFAOYSA-N 1 2 294.380 0.443 20 30 CCEDLO N#CCS(=O)(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001192933219 900025864 /nfs/dbraw/zinc/02/58/64/900025864.db2.gz LPCLRNGULKKXJB-UHFFFAOYSA-N 1 2 294.380 0.443 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001488675706 900338143 /nfs/dbraw/zinc/33/81/43/900338143.db2.gz HGWQPYZNVSOITN-GDBMZVCRSA-N 1 2 291.395 0.411 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001488675706 900338156 /nfs/dbraw/zinc/33/81/56/900338156.db2.gz HGWQPYZNVSOITN-GDBMZVCRSA-N 1 2 291.395 0.411 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001490445034 900619805 /nfs/dbraw/zinc/61/98/05/900619805.db2.gz BINNQLFFYXEMEB-AVGNSLFASA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001490445034 900619812 /nfs/dbraw/zinc/61/98/12/900619812.db2.gz BINNQLFFYXEMEB-AVGNSLFASA-N 1 2 279.384 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001490552759 900660941 /nfs/dbraw/zinc/66/09/41/900660941.db2.gz FYUAFDYJPXQGNU-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001490552759 900660951 /nfs/dbraw/zinc/66/09/51/900660951.db2.gz FYUAFDYJPXQGNU-CHWSQXEVSA-N 1 2 297.399 0.294 20 30 CCEDLO C=C[C@H](CC)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001318055610 900794520 /nfs/dbraw/zinc/79/45/20/900794520.db2.gz DSCNMDAFQGTXOO-YPMHNXCESA-N 1 2 270.373 0.396 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001412116999 901480152 /nfs/dbraw/zinc/48/01/52/901480152.db2.gz VZZWXFYHRAKBHX-UHFFFAOYSA-N 1 2 290.323 0.648 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001412116999 901480158 /nfs/dbraw/zinc/48/01/58/901480158.db2.gz VZZWXFYHRAKBHX-UHFFFAOYSA-N 1 2 290.323 0.648 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038689380 902651886 /nfs/dbraw/zinc/65/18/86/902651886.db2.gz AVEHHHJQNPVEOP-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001038689380 902651891 /nfs/dbraw/zinc/65/18/91/902651891.db2.gz AVEHHHJQNPVEOP-NSHDSACASA-N 1 2 283.335 0.406 20 30 CCEDLO C[S@](=O)CC[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001327812289 914779816 /nfs/dbraw/zinc/77/98/16/914779816.db2.gz UFAZEDBIHQOOFA-VFVRVIDISA-N 1 2 269.414 0.675 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCOC)O2 ZINC001280923017 904174092 /nfs/dbraw/zinc/17/40/92/904174092.db2.gz ZRTMGYJTHIKSND-CYBMUJFWSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001282100874 904411194 /nfs/dbraw/zinc/41/11/94/904411194.db2.gz YZEFWCULZHMMPS-ZJUUUORDSA-N 1 2 266.349 0.159 20 30 CCEDLO N#CCNC[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001283052043 904683305 /nfs/dbraw/zinc/68/33/05/904683305.db2.gz IDIKGNBGTIGTGM-JHJVBQTASA-N 1 2 287.367 0.453 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377232481 904708225 /nfs/dbraw/zinc/70/82/25/904708225.db2.gz MBGFGLJJTIGHGK-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377232481 904708235 /nfs/dbraw/zinc/70/82/35/904708235.db2.gz MBGFGLJJTIGHGK-JTQLQIEISA-N 1 2 273.764 0.456 20 30 CCEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)[C@H]1C ZINC001283868133 905070668 /nfs/dbraw/zinc/07/06/68/905070668.db2.gz XFLXFJZQCCUDSZ-ZYHUDNBSSA-N 1 2 296.396 0.820 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC2CCCC2)C1 ZINC001377960840 905280169 /nfs/dbraw/zinc/28/01/69/905280169.db2.gz OTCLNNWBOIWJNT-NSHDSACASA-N 1 2 292.383 0.253 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001378069775 905400543 /nfs/dbraw/zinc/40/05/43/905400543.db2.gz TTZFAYUEQMWPSD-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001378069775 905400554 /nfs/dbraw/zinc/40/05/54/905400554.db2.gz TTZFAYUEQMWPSD-VIFPVBQESA-N 1 2 284.747 0.985 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001285578161 905675701 /nfs/dbraw/zinc/67/57/01/905675701.db2.gz VYLKSUHYHVZXME-OTDNITJGSA-N 1 2 289.339 0.291 20 30 CCEDLO C[C@H](C#N)C(=O)NC/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001285578161 905675714 /nfs/dbraw/zinc/67/57/14/905675714.db2.gz VYLKSUHYHVZXME-OTDNITJGSA-N 1 2 289.339 0.291 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNC(=O)C#CC1CC1 ZINC001285760522 905756112 /nfs/dbraw/zinc/75/61/12/905756112.db2.gz YDXJHCOPHBKGNP-JTQLQIEISA-N 1 2 288.351 0.295 20 30 CCEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001378978903 905908971 /nfs/dbraw/zinc/90/89/71/905908971.db2.gz JGYQHKGXNAXWQA-LLVKDONJSA-N 1 2 289.339 0.198 20 30 CCEDLO CCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001379113758 906002662 /nfs/dbraw/zinc/00/26/62/906002662.db2.gz ZTWKHLGSOGCNDX-ZJUUUORDSA-N 1 2 279.344 0.728 20 30 CCEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001294783866 906635269 /nfs/dbraw/zinc/63/52/69/906635269.db2.gz MSVGMCFCAYQETR-GFCCVEGCSA-N 1 2 290.367 0.812 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001381594976 907313817 /nfs/dbraw/zinc/31/38/17/907313817.db2.gz TWMRDUDTAQKMCZ-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001381594976 907313838 /nfs/dbraw/zinc/31/38/38/907313838.db2.gz TWMRDUDTAQKMCZ-SECBINFHSA-N 1 2 271.752 0.618 20 30 CCEDLO C[C@H](C#N)C(=O)NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001492138976 907738136 /nfs/dbraw/zinc/73/81/36/907738136.db2.gz UCHTXSZBFZMSSY-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1ccn(C)n1 ZINC001317474826 908404360 /nfs/dbraw/zinc/40/43/60/908404360.db2.gz OJPBIDNWCQAQTO-OAHLLOKOSA-N 1 2 294.399 0.685 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](CC)Cc1ccn(C)n1 ZINC001317474826 908404372 /nfs/dbraw/zinc/40/43/72/908404372.db2.gz OJPBIDNWCQAQTO-OAHLLOKOSA-N 1 2 294.399 0.685 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001316941933 908861274 /nfs/dbraw/zinc/86/12/74/908861274.db2.gz WAWVTVVOUKCWRL-CYBMUJFWSA-N 1 2 289.383 0.699 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001316941933 908861292 /nfs/dbraw/zinc/86/12/92/908861292.db2.gz WAWVTVVOUKCWRL-CYBMUJFWSA-N 1 2 289.383 0.699 20 30 CCEDLO CC(C(=O)NCC[NH+]1CCN(CC#N)CC1)=C1CCC1 ZINC001316964330 908873595 /nfs/dbraw/zinc/87/35/95/908873595.db2.gz WKXNGORLWYAQBP-UHFFFAOYSA-N 1 2 276.384 0.744 20 30 CCEDLO CC#CCN1CC[NH+](CCNC(=O)C2CC=CC2)CC1 ZINC001316963570 908874919 /nfs/dbraw/zinc/87/49/19/908874919.db2.gz KJJGWUARGJISSO-UHFFFAOYSA-N 1 2 275.396 0.710 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)C2CC(C)(C)C2)CC1 ZINC001316962320 908876019 /nfs/dbraw/zinc/87/60/19/908876019.db2.gz ACFKPROCQQYSRQ-UHFFFAOYSA-N 1 2 277.412 0.790 20 30 CCEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001386975532 908981883 /nfs/dbraw/zinc/98/18/83/908981883.db2.gz OVXLZPYLJPCOLZ-QWRGUYRKSA-N 1 2 277.328 0.054 20 30 CCEDLO CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001387298593 909095237 /nfs/dbraw/zinc/09/52/37/909095237.db2.gz GVABOXSEOJUQCT-JTQLQIEISA-N 1 2 277.328 0.077 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001317460161 909235809 /nfs/dbraw/zinc/23/58/09/909235809.db2.gz SDJOCRCGXKOAQL-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001317460161 909235823 /nfs/dbraw/zinc/23/58/23/909235823.db2.gz SDJOCRCGXKOAQL-UHFFFAOYSA-N 1 2 278.356 0.030 20 30 CCEDLO Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001317572606 909361579 /nfs/dbraw/zinc/36/15/79/909361579.db2.gz HLCWQXIMUDFYFK-DTWKUNHWSA-N 1 2 265.317 0.647 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCC1CC1 ZINC001317817011 909512272 /nfs/dbraw/zinc/51/22/72/909512272.db2.gz SBZSESVMCGSRBF-UHFFFAOYSA-N 1 2 278.400 0.776 20 30 CCEDLO CN(CC#N)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317863981 909530572 /nfs/dbraw/zinc/53/05/72/909530572.db2.gz RUKVULPPKCLRGY-GFCCVEGCSA-N 1 2 261.329 0.187 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317979495 909560875 /nfs/dbraw/zinc/56/08/75/909560875.db2.gz LXUVIXCBRGQGMM-LBPRGKRZSA-N 1 2 265.357 0.246 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317979495 909560881 /nfs/dbraw/zinc/56/08/81/909560881.db2.gz LXUVIXCBRGQGMM-LBPRGKRZSA-N 1 2 265.357 0.246 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2nccn2C)C1 ZINC001318046443 909596982 /nfs/dbraw/zinc/59/69/82/909596982.db2.gz BGUFDKLRUYDTMX-UHFFFAOYSA-N 1 2 262.357 0.729 20 30 CCEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCOC(C)C)C2)c1 ZINC001318060540 909602385 /nfs/dbraw/zinc/60/23/85/909602385.db2.gz HOEIUTDXGAWBAH-UHFFFAOYSA-N 1 2 287.363 0.902 20 30 CCEDLO CC(C)(C)/C=C\C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318320719 909705742 /nfs/dbraw/zinc/70/57/42/909705742.db2.gz JMAULUVPFBEGGB-TXNVCOODSA-N 1 2 292.383 0.419 20 30 CCEDLO CC(C)(C)/C=C\C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318320719 909705748 /nfs/dbraw/zinc/70/57/48/909705748.db2.gz JMAULUVPFBEGGB-TXNVCOODSA-N 1 2 292.383 0.419 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001318320714 909706159 /nfs/dbraw/zinc/70/61/59/909706159.db2.gz JJKJXXFNXGXKHT-QWHCGFSZSA-N 1 2 281.400 0.915 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001318320714 909706163 /nfs/dbraw/zinc/70/61/63/909706163.db2.gz JJKJXXFNXGXKHT-QWHCGFSZSA-N 1 2 281.400 0.915 20 30 CCEDLO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCn1cc[nH+]c1 ZINC001389239468 909764508 /nfs/dbraw/zinc/76/45/08/909764508.db2.gz KTNUKWBBOVYATB-WDEREUQCSA-N 1 2 277.328 0.054 20 30 CCEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001319298629 910082214 /nfs/dbraw/zinc/08/22/14/910082214.db2.gz WKNKFHLVMAFQRP-ZIAGYGMSSA-N 1 2 298.383 0.043 20 30 CCEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001319298629 910082229 /nfs/dbraw/zinc/08/22/29/910082229.db2.gz WKNKFHLVMAFQRP-ZIAGYGMSSA-N 1 2 298.383 0.043 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001319306663 910087901 /nfs/dbraw/zinc/08/79/01/910087901.db2.gz XTRUUSHPKFJRMF-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001319306663 910087913 /nfs/dbraw/zinc/08/79/13/910087913.db2.gz XTRUUSHPKFJRMF-GFCCVEGCSA-N 1 2 293.371 0.130 20 30 CCEDLO CC(C)C(C#N)=CNNc1ccc(S(N)(=O)=O)c[nH+]1 ZINC001319380307 910125118 /nfs/dbraw/zinc/12/51/18/910125118.db2.gz GJJJRPRZFDFKEV-VIFPVBQESA-N 1 2 281.341 0.922 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001319452748 910160327 /nfs/dbraw/zinc/16/03/27/910160327.db2.gz DDMUDVFSQRVQMF-GHMZBOCLSA-N 1 2 294.355 0.353 20 30 CCEDLO C[C@@H](C(=O)NCC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001319571371 910208474 /nfs/dbraw/zinc/20/84/74/910208474.db2.gz IIRZKUVZPQFKIG-LBPRGKRZSA-N 1 2 275.356 0.796 20 30 CCEDLO Cc1cn(C(C)(C)C(=O)N(C)CCN(C)CC#N)c[nH+]1 ZINC001320019901 910417228 /nfs/dbraw/zinc/41/72/28/910417228.db2.gz FLSYCJHILKDKAC-UHFFFAOYSA-N 1 2 277.372 0.840 20 30 CCEDLO CN(CC#N)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320019376 910419740 /nfs/dbraw/zinc/41/97/40/910419740.db2.gz AJSCUTPBHBEFBX-GFCCVEGCSA-N 1 2 275.356 0.359 20 30 CCEDLO Cc1onc(CC(=O)NCCc2[nH]cc[nH+]2)c1C#N ZINC001320180572 910496255 /nfs/dbraw/zinc/49/62/55/910496255.db2.gz RBQVBXOPLSUDCR-UHFFFAOYSA-N 1 2 259.269 0.479 20 30 CCEDLO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001320735094 910830957 /nfs/dbraw/zinc/83/09/57/910830957.db2.gz RPRDQEGGHSCIAR-LLVKDONJSA-N 1 2 294.355 0.354 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001391081312 910857527 /nfs/dbraw/zinc/85/75/27/910857527.db2.gz AXKDWAWYLQLHOZ-ONGXEEELSA-N 1 2 293.396 0.944 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001391081312 910857541 /nfs/dbraw/zinc/85/75/41/910857541.db2.gz AXKDWAWYLQLHOZ-ONGXEEELSA-N 1 2 293.396 0.944 20 30 CCEDLO CC(C)C#CC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001321054927 911050842 /nfs/dbraw/zinc/05/08/42/911050842.db2.gz PYGPUUWFYXIZHJ-ARJAWSKDSA-N 1 2 262.313 0.491 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001392663505 912053473 /nfs/dbraw/zinc/05/34/73/912053473.db2.gz YUFWVKSJPPHXMF-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001392663505 912053486 /nfs/dbraw/zinc/05/34/86/912053486.db2.gz YUFWVKSJPPHXMF-GHMZBOCLSA-N 1 2 287.791 0.702 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(=O)NCC)C1 ZINC001417931313 921713815 /nfs/dbraw/zinc/71/38/15/921713815.db2.gz DGRATKWLNIETST-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(=O)NCC)C1 ZINC001417931313 921713829 /nfs/dbraw/zinc/71/38/29/921713829.db2.gz DGRATKWLNIETST-LLVKDONJSA-N 1 2 287.791 0.846 20 30 CCEDLO C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1 ZINC001328482726 915226015 /nfs/dbraw/zinc/22/60/15/915226015.db2.gz QHLKTEUSCAAJCQ-JTQLQIEISA-N 1 2 286.339 0.235 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001417072412 916011476 /nfs/dbraw/zinc/01/14/76/916011476.db2.gz ARRPMKPCTYPCEU-ONGXEEELSA-N 1 2 289.339 0.137 20 30 CCEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)CC)C1 ZINC001329628753 916080350 /nfs/dbraw/zinc/08/03/50/916080350.db2.gz UARLKOUKKYMLCK-UHFFFAOYSA-N 1 2 256.346 0.152 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)CC(=O)NCC(C)(C)C ZINC001401360180 916199568 /nfs/dbraw/zinc/19/95/68/916199568.db2.gz SPNWNHSSIGUGBJ-GFCCVEGCSA-N 1 2 296.415 0.699 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC001401360180 916199577 /nfs/dbraw/zinc/19/95/77/916199577.db2.gz SPNWNHSSIGUGBJ-GFCCVEGCSA-N 1 2 296.415 0.699 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001401361400 916202533 /nfs/dbraw/zinc/20/25/33/916202533.db2.gz HMLNNESHISKDKP-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001401361400 916202552 /nfs/dbraw/zinc/20/25/52/916202552.db2.gz HMLNNESHISKDKP-NSHDSACASA-N 1 2 287.791 0.655 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)/C(C)=C\C)C1 ZINC001329983303 916332932 /nfs/dbraw/zinc/33/29/32/916332932.db2.gz HSXBBHMFNCMLOU-DSDFTUOUSA-N 1 2 277.368 0.139 20 30 CCEDLO C[C@@H](NC(=O)C#CC(C)(C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001329996401 916346287 /nfs/dbraw/zinc/34/62/87/916346287.db2.gz CHXCOQRBAOIMCU-MNOVXSKESA-N 1 2 279.384 0.346 20 30 CCEDLO C[C@H](C[NH2+]Cc1nn(C)cc1Cl)NC(=O)[C@@H](C)C#N ZINC001401616388 916388227 /nfs/dbraw/zinc/38/82/27/916388227.db2.gz VKEBPTZSERNCBR-DTWKUNHWSA-N 1 2 283.763 0.827 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COCCC)C2)C1 ZINC001330147693 916437112 /nfs/dbraw/zinc/43/71/12/916437112.db2.gz KQIYNUWNGRGXHD-MRXNPFEDSA-N 1 2 294.395 0.740 20 30 CCEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)COCCC)C2)C1 ZINC001330147693 916437133 /nfs/dbraw/zinc/43/71/33/916437133.db2.gz KQIYNUWNGRGXHD-MRXNPFEDSA-N 1 2 294.395 0.740 20 30 CCEDLO C=CC[C@@H](OC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)OC ZINC001331093795 917082276 /nfs/dbraw/zinc/08/22/76/917082276.db2.gz KLSXDIAQZBLJHE-MNOVXSKESA-N 1 2 271.313 0.368 20 30 CCEDLO C=CC[C@@H](OC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)OC ZINC001331093795 917082292 /nfs/dbraw/zinc/08/22/92/917082292.db2.gz KLSXDIAQZBLJHE-MNOVXSKESA-N 1 2 271.313 0.368 20 30 CCEDLO Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001402660998 917159255 /nfs/dbraw/zinc/15/92/55/917159255.db2.gz FWFIMRXYBGFDQE-ZYHUDNBSSA-N 1 2 290.371 0.601 20 30 CCEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001402660998 917159264 /nfs/dbraw/zinc/15/92/64/917159264.db2.gz FWFIMRXYBGFDQE-ZYHUDNBSSA-N 1 2 290.371 0.601 20 30 CCEDLO N#Cc1csc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001331788565 917609582 /nfs/dbraw/zinc/60/95/82/917609582.db2.gz YZMXMJWDDADNST-DTORHVGOSA-N 1 2 253.327 0.047 20 30 CCEDLO N#Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001331788565 917609593 /nfs/dbraw/zinc/60/95/93/917609593.db2.gz YZMXMJWDDADNST-DTORHVGOSA-N 1 2 253.327 0.047 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001403542976 917796354 /nfs/dbraw/zinc/79/63/54/917796354.db2.gz PKBVQKVVDRWLGB-JTQLQIEISA-N 1 2 274.748 0.740 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001403542976 917796361 /nfs/dbraw/zinc/79/63/61/917796361.db2.gz PKBVQKVVDRWLGB-JTQLQIEISA-N 1 2 274.748 0.740 20 30 CCEDLO CC1CC(C#N)(C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC001332211066 917959700 /nfs/dbraw/zinc/95/97/00/917959700.db2.gz UEMSVMRFZBZNJM-QUNCOHTASA-N 1 2 262.313 0.510 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001404694817 918432988 /nfs/dbraw/zinc/43/29/88/918432988.db2.gz BKLPNQLXQTWODP-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001404694817 918432997 /nfs/dbraw/zinc/43/29/97/918432997.db2.gz BKLPNQLXQTWODP-UWVGGRQHSA-N 1 2 288.779 0.376 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001333049782 918621884 /nfs/dbraw/zinc/62/18/84/918621884.db2.gz QMVVMWAWRALGRL-GFCCVEGCSA-N 1 2 290.367 0.503 20 30 CCEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)NC(=O)[C@@H](C)C#N ZINC001405143686 918624295 /nfs/dbraw/zinc/62/42/95/918624295.db2.gz JIUCVFAAFNIMNI-WDEREUQCSA-N 1 2 291.355 0.085 20 30 CCEDLO C=CCCC(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001333303740 918784800 /nfs/dbraw/zinc/78/48/00/918784800.db2.gz HUNCSYFMENXGTD-UHFFFAOYSA-N 1 2 290.367 0.341 20 30 CCEDLO C=CCCC(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001333303740 918784819 /nfs/dbraw/zinc/78/48/19/918784819.db2.gz HUNCSYFMENXGTD-UHFFFAOYSA-N 1 2 290.367 0.341 20 30 CCEDLO COC1(OC)CC[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1O ZINC001333691777 919104835 /nfs/dbraw/zinc/10/48/35/919104835.db2.gz RATCLIGSSPUFAJ-RYUDHWBXSA-N 1 2 267.329 0.486 20 30 CCEDLO COC1(OC)CC[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1O ZINC001333691777 919104838 /nfs/dbraw/zinc/10/48/38/919104838.db2.gz RATCLIGSSPUFAJ-RYUDHWBXSA-N 1 2 267.329 0.486 20 30 CCEDLO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ncn(C)n1 ZINC001334651016 919691427 /nfs/dbraw/zinc/69/14/27/919691427.db2.gz UKIVIDLEOXHGKL-NXEZZACHSA-N 1 2 251.334 0.766 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@]2(CO)CCC[N@H+](CCF)C2)c1 ZINC001407635456 919836824 /nfs/dbraw/zinc/83/68/24/919836824.db2.gz SQBHQQTVMCZFFA-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1c[nH]c(C(=O)N[C@]2(CO)CCC[N@@H+](CCF)C2)c1 ZINC001407635456 919836836 /nfs/dbraw/zinc/83/68/36/919836836.db2.gz SQBHQQTVMCZFFA-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO Cc1noc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001407876646 919933769 /nfs/dbraw/zinc/93/37/69/919933769.db2.gz MFTUWDDMRAQPHM-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO Cc1noc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001407876646 919933781 /nfs/dbraw/zinc/93/37/81/919933781.db2.gz MFTUWDDMRAQPHM-JTQLQIEISA-N 1 2 279.344 0.818 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cn(C)nn1 ZINC001407879918 919940543 /nfs/dbraw/zinc/94/05/43/919940543.db2.gz QSLKGDHMFOCALX-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC001407879918 919940554 /nfs/dbraw/zinc/94/05/54/919940554.db2.gz QSLKGDHMFOCALX-LLVKDONJSA-N 1 2 278.360 0.255 20 30 CCEDLO CCCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H](C)C#N ZINC001415808450 920831767 /nfs/dbraw/zinc/83/17/67/920831767.db2.gz ZUOVNEORPOSTHK-GFCCVEGCSA-N 1 2 291.355 0.398 20 30 CCEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001416289707 920944549 /nfs/dbraw/zinc/94/45/49/920944549.db2.gz XJPPUQFDULCFNJ-QWRGUYRKSA-N 1 2 291.355 0.513 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001416289706 920945778 /nfs/dbraw/zinc/94/57/78/920945778.db2.gz XJPPUQFDULCFNJ-MNOVXSKESA-N 1 2 291.355 0.513 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001416867555 921042221 /nfs/dbraw/zinc/04/22/21/921042221.db2.gz HQRFKHSPKLWQQN-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC001340549521 922119264 /nfs/dbraw/zinc/11/92/64/922119264.db2.gz FBPCHCXWDBYXBT-GFCCVEGCSA-N 1 2 276.340 0.258 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001418788453 922422824 /nfs/dbraw/zinc/42/28/24/922422824.db2.gz ZDLLVNBYUUMMQT-WZRBSPASSA-N 1 2 292.383 0.251 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001418788453 922422836 /nfs/dbraw/zinc/42/28/36/922422836.db2.gz ZDLLVNBYUUMMQT-WZRBSPASSA-N 1 2 292.383 0.251 20 30 CCEDLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001419057883 922605649 /nfs/dbraw/zinc/60/56/49/922605649.db2.gz XYNZXXVTNQFLGE-MNOVXSKESA-N 1 2 276.344 0.148 20 30 CCEDLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001419057883 922605656 /nfs/dbraw/zinc/60/56/56/922605656.db2.gz XYNZXXVTNQFLGE-MNOVXSKESA-N 1 2 276.344 0.148 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001419131119 922653840 /nfs/dbraw/zinc/65/38/40/922653840.db2.gz WGBIHFSQAGGDEC-PWSUYJOCSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 ZINC001419131119 922653843 /nfs/dbraw/zinc/65/38/43/922653843.db2.gz WGBIHFSQAGGDEC-PWSUYJOCSA-N 1 2 287.791 0.796 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001342732285 923073592 /nfs/dbraw/zinc/07/35/92/923073592.db2.gz KKUSECHCBNDYCQ-RWMBFGLXSA-N 1 2 285.388 0.596 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)cn1 ZINC001420139596 923338094 /nfs/dbraw/zinc/33/80/94/923338094.db2.gz GDEVHPNAZIUROZ-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)cn1 ZINC001420139596 923338106 /nfs/dbraw/zinc/33/81/06/923338106.db2.gz GDEVHPNAZIUROZ-GFCCVEGCSA-N 1 2 299.290 0.190 20 30 CCEDLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001420471784 923696164 /nfs/dbraw/zinc/69/61/64/923696164.db2.gz HLFJUWGORTYRRB-VXGBXAGGSA-N 1 2 290.371 0.538 20 30 CCEDLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001420471784 923696171 /nfs/dbraw/zinc/69/61/71/923696171.db2.gz HLFJUWGORTYRRB-VXGBXAGGSA-N 1 2 290.371 0.538 20 30 CCEDLO C#CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC001345827584 923989393 /nfs/dbraw/zinc/98/93/93/923989393.db2.gz TWIXALSMATVOMX-UHFFFAOYSA-N 1 2 274.324 0.096 20 30 CCEDLO C#CCCCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346237440 924125655 /nfs/dbraw/zinc/12/56/55/924125655.db2.gz CSJKNMQBMPWMTQ-AWEZNQCLSA-N 1 2 280.416 0.725 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001421126802 924168721 /nfs/dbraw/zinc/16/87/21/924168721.db2.gz SSMCNJGPBPUIQD-UHFFFAOYSA-N 1 2 287.791 0.119 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346421205 924200841 /nfs/dbraw/zinc/20/08/41/924200841.db2.gz MKXNSDKOQHQPII-GFCCVEGCSA-N 1 2 250.302 0.398 20 30 CCEDLO Cn1c[nH+]cc1C1CCN(C(=O)NCC#CCO)CC1 ZINC001346484474 924234638 /nfs/dbraw/zinc/23/46/38/924234638.db2.gz LZEUNVZZAPCUOD-UHFFFAOYSA-N 1 2 276.340 0.305 20 30 CCEDLO C#CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001347684317 924512781 /nfs/dbraw/zinc/51/27/81/924512781.db2.gz YJPGTMRTTRAHLE-VXGBXAGGSA-N 1 2 261.325 0.632 20 30 CCEDLO Cc1[nH]nc(NC(=O)CCc2[nH+]ccn2C)c1C#N ZINC001347852891 924551306 /nfs/dbraw/zinc/55/13/06/924551306.db2.gz YELVBDPCHCEPOQ-UHFFFAOYSA-N 1 2 258.285 0.895 20 30 CCEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cscn2)C1 ZINC001479899317 924618401 /nfs/dbraw/zinc/61/84/01/924618401.db2.gz CLRZIKCMZIPJAI-LBPRGKRZSA-N 1 2 293.392 0.987 20 30 CCEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cscn2)C1 ZINC001479899317 924618404 /nfs/dbraw/zinc/61/84/04/924618404.db2.gz CLRZIKCMZIPJAI-LBPRGKRZSA-N 1 2 293.392 0.987 20 30 CCEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001349878243 925082799 /nfs/dbraw/zinc/08/27/99/925082799.db2.gz BPDWFGJTYHFUIE-UONOGXRCSA-N 1 2 298.431 0.106 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001350484613 925210179 /nfs/dbraw/zinc/21/01/79/925210179.db2.gz HAVFCNJJYKZARB-GFCCVEGCSA-N 1 2 263.341 0.817 20 30 CCEDLO C=C(CC(C)C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001351624797 925447842 /nfs/dbraw/zinc/44/78/42/925447842.db2.gz IBPTZGZXMBRGQC-CQSZACIVSA-N 1 2 284.400 0.740 20 30 CCEDLO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nncs1 ZINC001480460226 925781622 /nfs/dbraw/zinc/78/16/22/925781622.db2.gz UFMKBBPKGKMINH-VIFPVBQESA-N 1 2 264.354 0.546 20 30 CCEDLO CC(C)C#CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001354677714 926153079 /nfs/dbraw/zinc/15/30/79/926153079.db2.gz ZSHPLHCPDPWOBF-NSHDSACASA-N 1 2 276.340 0.233 20 30 CCEDLO C#CCN(CC#CC)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001355325174 926240674 /nfs/dbraw/zinc/24/06/74/926240674.db2.gz DMOWMUWLQGTSSR-UHFFFAOYSA-N 1 2 282.351 0.602 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CC=C)CC1 ZINC001356052608 926338673 /nfs/dbraw/zinc/33/86/73/926338673.db2.gz BCOZAPUMYJTJKZ-UONOGXRCSA-N 1 2 296.378 0.846 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](CC2CC(F)(F)C2)C1 ZINC001423830747 927998153 /nfs/dbraw/zinc/99/81/53/927998153.db2.gz SVKFTNUHIABSQE-VIFPVBQESA-N 1 2 287.310 0.354 20 30 CCEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)C2 ZINC001362641094 928294191 /nfs/dbraw/zinc/29/41/91/928294191.db2.gz USNNKMKDCNKWCH-GRYCIOLGSA-N 1 2 288.351 0.317 20 30 CCEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C#N)cc1 ZINC001363146298 928920399 /nfs/dbraw/zinc/92/03/99/928920399.db2.gz XKVNNMLKTDCHLV-GFCCVEGCSA-N 1 2 270.292 0.755 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001427068738 928964766 /nfs/dbraw/zinc/96/47/66/928964766.db2.gz LQZSTWVFPDJTNT-NXEZZACHSA-N 1 2 289.339 0.075 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001427064679 928964991 /nfs/dbraw/zinc/96/49/91/928964991.db2.gz IPROPYSANIERFA-NXEZZACHSA-N 1 2 289.339 0.075 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001363812875 929601586 /nfs/dbraw/zinc/60/15/86/929601586.db2.gz CITICXUCIHXTIR-RYUDHWBXSA-N 1 2 297.322 0.087 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001363812875 929601589 /nfs/dbraw/zinc/60/15/89/929601589.db2.gz CITICXUCIHXTIR-RYUDHWBXSA-N 1 2 297.322 0.087 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001443568718 929650394 /nfs/dbraw/zinc/65/03/94/929650394.db2.gz GNAUTYDJGKHBRS-LLVKDONJSA-N 1 2 294.399 0.356 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001443697131 929674194 /nfs/dbraw/zinc/67/41/94/929674194.db2.gz QGRNJIXBFDVKEM-NSHDSACASA-N 1 2 285.775 0.456 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001443697131 929674202 /nfs/dbraw/zinc/67/42/02/929674202.db2.gz QGRNJIXBFDVKEM-NSHDSACASA-N 1 2 285.775 0.456 20 30 CCEDLO CC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001446724042 930466527 /nfs/dbraw/zinc/46/65/27/930466527.db2.gz QTXVJUZTSGYGPO-OAHLLOKOSA-N 1 2 291.326 0.770 20 30 CCEDLO CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001446724042 930466531 /nfs/dbraw/zinc/46/65/31/930466531.db2.gz QTXVJUZTSGYGPO-OAHLLOKOSA-N 1 2 291.326 0.770 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001375030264 930769914 /nfs/dbraw/zinc/76/99/14/930769914.db2.gz FDKSWADIMYJISU-RKDXNWHRSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001375030264 930769918 /nfs/dbraw/zinc/76/99/18/930769918.db2.gz FDKSWADIMYJISU-RKDXNWHRSA-N 1 2 275.736 0.284 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001376143251 931068181 /nfs/dbraw/zinc/06/81/81/931068181.db2.gz ZRROKLZWAGENTH-SCZZXKLOSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001376143251 931068186 /nfs/dbraw/zinc/06/81/86/931068186.db2.gz ZRROKLZWAGENTH-SCZZXKLOSA-N 1 2 273.764 0.441 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001377167569 931415348 /nfs/dbraw/zinc/41/53/48/931415348.db2.gz PRQVVUPRULKTSX-LLVKDONJSA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001377167569 931415350 /nfs/dbraw/zinc/41/53/50/931415350.db2.gz PRQVVUPRULKTSX-LLVKDONJSA-N 1 2 287.791 0.703 20 30 CCEDLO C#CCC[NH+]1CCN(c2nc(COC)ns2)CC1 ZINC000091480446 349463885 /nfs/dbraw/zinc/46/38/85/349463885.db2.gz MQKBISLWXVMGJV-UHFFFAOYSA-N 1 2 266.370 0.830 20 30 CCEDLO C[N@H+](CCOCCO)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000337420680 214071635 /nfs/dbraw/zinc/07/16/35/214071635.db2.gz ANMYYZMGQJHOCL-CYBMUJFWSA-N 1 2 277.324 0.025 20 30 CCEDLO C[N@@H+](CCOCCO)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000337420680 214071637 /nfs/dbraw/zinc/07/16/37/214071637.db2.gz ANMYYZMGQJHOCL-CYBMUJFWSA-N 1 2 277.324 0.025 20 30 CCEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091865458 349478304 /nfs/dbraw/zinc/47/83/04/349478304.db2.gz WFGVCTFENSQTPO-SNVBAGLBSA-N 1 2 262.338 0.829 20 30 CCEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091865458 349478308 /nfs/dbraw/zinc/47/83/08/349478308.db2.gz WFGVCTFENSQTPO-SNVBAGLBSA-N 1 2 262.338 0.829 20 30 CCEDLO CC#CCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599591879 361754540 /nfs/dbraw/zinc/75/45/40/361754540.db2.gz SJCISFXHJXYHLD-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO CC#CCC[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599591879 361754542 /nfs/dbraw/zinc/75/45/42/361754542.db2.gz SJCISFXHJXYHLD-NWDGAFQWSA-N 1 2 267.325 0.826 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@](C)(COC)C1 ZINC000599692185 361789399 /nfs/dbraw/zinc/78/93/99/361789399.db2.gz HZUTYYGTVUNWJR-ZFWWWQNUSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@](C)(COC)C1 ZINC000599692185 361789401 /nfs/dbraw/zinc/78/94/01/361789401.db2.gz HZUTYYGTVUNWJR-ZFWWWQNUSA-N 1 2 297.399 0.732 20 30 CCEDLO C=CCn1cc(CNC(=O)C[NH+]2CC(C)(C)C2)nn1 ZINC000655153908 412492132 /nfs/dbraw/zinc/49/21/32/412492132.db2.gz AMMLQSVWMSKTSW-UHFFFAOYSA-N 1 2 263.345 0.422 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000600419441 361954887 /nfs/dbraw/zinc/95/48/87/361954887.db2.gz HOUPVSHSTKLBBS-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000600419441 361954890 /nfs/dbraw/zinc/95/48/90/361954890.db2.gz HOUPVSHSTKLBBS-NSHDSACASA-N 1 2 260.297 0.014 20 30 CCEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000600420815 361956748 /nfs/dbraw/zinc/95/67/48/361956748.db2.gz LAYNUYISFGYHMT-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000600420815 361956752 /nfs/dbraw/zinc/95/67/52/361956752.db2.gz LAYNUYISFGYHMT-GFCCVEGCSA-N 1 2 265.357 0.907 20 30 CCEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000600424522 361958595 /nfs/dbraw/zinc/95/85/95/361958595.db2.gz KFIVPUSVOFKZHI-ZDUSSCGKSA-N 1 2 259.309 0.619 20 30 CCEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000600424522 361958597 /nfs/dbraw/zinc/95/85/97/361958597.db2.gz KFIVPUSVOFKZHI-ZDUSSCGKSA-N 1 2 259.309 0.619 20 30 CCEDLO CC(C)(CNC(=O)c1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000115005289 349849378 /nfs/dbraw/zinc/84/93/78/349849378.db2.gz SCYGXTVOQXVNPI-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000332491203 529860890 /nfs/dbraw/zinc/86/08/90/529860890.db2.gz FHJMCJJPBWVCCB-GWCFXTLKSA-N 1 2 268.361 0.107 20 30 CCEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000332491203 529860891 /nfs/dbraw/zinc/86/08/91/529860891.db2.gz FHJMCJJPBWVCCB-GWCFXTLKSA-N 1 2 268.361 0.107 20 30 CCEDLO C[C@H](Oc1ccccn1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573566492 334947724 /nfs/dbraw/zinc/94/77/24/334947724.db2.gz BXCDKQGXOHGRCL-FZMZJTMJSA-N 1 2 276.340 0.809 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601525892 362300194 /nfs/dbraw/zinc/30/01/94/362300194.db2.gz GZGLWFPXAIPWHZ-LLVKDONJSA-N 1 2 299.400 0.687 20 30 CCEDLO Cc1[nH][nH]c(=NC(=O)C23CCC[NH+](CCC2)C3)c1C#N ZINC000602189335 362548208 /nfs/dbraw/zinc/54/82/08/362548208.db2.gz POVFEYHNLAHXII-UHFFFAOYSA-N 1 2 273.340 0.826 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C#N)CO)cc1 ZINC000602158216 362533920 /nfs/dbraw/zinc/53/39/20/362533920.db2.gz KZVUXNQYCUHBMU-TZMCWYRMSA-N 1 2 289.335 0.270 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C#N)CO)cc1 ZINC000602158216 362533924 /nfs/dbraw/zinc/53/39/24/362533924.db2.gz KZVUXNQYCUHBMU-TZMCWYRMSA-N 1 2 289.335 0.270 20 30 CCEDLO N#Cc1c[nH][nH]c1=NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602167197 362538291 /nfs/dbraw/zinc/53/82/91/362538291.db2.gz ZRSJRZMVWZKIFM-UHFFFAOYSA-N 1 2 259.313 0.518 20 30 CCEDLO CC(C)(C(=O)N1CCN(CCC#N)CC1)[NH+]1CCOCC1 ZINC000602205392 362557782 /nfs/dbraw/zinc/55/77/82/362557782.db2.gz DLZBWMSQWPQEHD-UHFFFAOYSA-N 1 2 294.399 0.155 20 30 CCEDLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1C#N ZINC000361551049 232152056 /nfs/dbraw/zinc/15/20/56/232152056.db2.gz UKZVFFPZCDGHHW-KGLIPLIRSA-N 1 2 260.341 0.412 20 30 CCEDLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1C#N ZINC000361551049 232152060 /nfs/dbraw/zinc/15/20/60/232152060.db2.gz UKZVFFPZCDGHHW-KGLIPLIRSA-N 1 2 260.341 0.412 20 30 CCEDLO CCc1nocc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602331271 362588468 /nfs/dbraw/zinc/58/84/68/362588468.db2.gz BNEASSGHEDYWBP-LBPRGKRZSA-N 1 2 250.302 0.811 20 30 CCEDLO COC(=O)c1oc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000602333217 362589201 /nfs/dbraw/zinc/58/92/01/362589201.db2.gz NPVPNWQNHGDIHD-CQSZACIVSA-N 1 2 293.323 0.948 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(C(F)F)c1 ZINC000602332548 362589513 /nfs/dbraw/zinc/58/95/13/362589513.db2.gz KRXLEAINIMWSRR-NSHDSACASA-N 1 2 271.271 0.852 20 30 CCEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CC(N)=O)n1 ZINC000602685283 362746195 /nfs/dbraw/zinc/74/61/95/362746195.db2.gz FEXQJDSUBIVSOA-GFCCVEGCSA-N 1 2 260.297 0.029 20 30 CCEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)n1 ZINC000602685283 362746202 /nfs/dbraw/zinc/74/62/02/362746202.db2.gz FEXQJDSUBIVSOA-GFCCVEGCSA-N 1 2 260.297 0.029 20 30 CCEDLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CO)ccc1C#N ZINC000602714612 362766879 /nfs/dbraw/zinc/76/68/79/362766879.db2.gz HPROPCHFUDCSHG-HNNXBMFYSA-N 1 2 259.353 0.975 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)ccc1C#N ZINC000602714612 362766885 /nfs/dbraw/zinc/76/68/85/362766885.db2.gz HPROPCHFUDCSHG-HNNXBMFYSA-N 1 2 259.353 0.975 20 30 CCEDLO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000602734173 362774912 /nfs/dbraw/zinc/77/49/12/362774912.db2.gz FJJJTMBXTIFRGI-NWDGAFQWSA-N 1 2 289.401 0.176 20 30 CCEDLO C[C@@H](CCC#N)C[N@H+]1CCOC[C@H]1CNS(C)(=O)=O ZINC000602734173 362774918 /nfs/dbraw/zinc/77/49/18/362774918.db2.gz FJJJTMBXTIFRGI-NWDGAFQWSA-N 1 2 289.401 0.176 20 30 CCEDLO COCC[N@H+](CCC#N)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602775899 362794066 /nfs/dbraw/zinc/79/40/66/362794066.db2.gz CUHLLVITIJXOKN-ZIAGYGMSSA-N 1 2 270.373 0.760 20 30 CCEDLO COCC[N@@H+](CCC#N)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602775899 362794072 /nfs/dbraw/zinc/79/40/72/362794072.db2.gz CUHLLVITIJXOKN-ZIAGYGMSSA-N 1 2 270.373 0.760 20 30 CCEDLO CCN(C#N)CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000602812463 362813394 /nfs/dbraw/zinc/81/33/94/362813394.db2.gz XSKCTKVEFCQHNM-UHFFFAOYSA-N 1 2 284.367 0.878 20 30 CCEDLO C[C@H](c1nccc(N)n1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847714 362834957 /nfs/dbraw/zinc/83/49/57/362834957.db2.gz CHTMICHESPFOJU-GRYCIOLGSA-N 1 2 274.372 0.868 20 30 CCEDLO C[C@H](c1nccc(N)n1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847714 362834962 /nfs/dbraw/zinc/83/49/62/362834962.db2.gz CHTMICHESPFOJU-GRYCIOLGSA-N 1 2 274.372 0.868 20 30 CCEDLO CCCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602848201 362835966 /nfs/dbraw/zinc/83/59/66/362835966.db2.gz FLALTDNMCPDSEA-VXGBXAGGSA-N 1 2 252.362 0.431 20 30 CCEDLO CC[C@H](C(=O)OC)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852250 362839010 /nfs/dbraw/zinc/83/90/10/362839010.db2.gz AJBUVUTWBKXYQI-SDDRHHMPSA-N 1 2 253.346 0.856 20 30 CCEDLO COCCCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854347 362840360 /nfs/dbraw/zinc/84/03/60/362840360.db2.gz BKFGJFFKUOXPOE-CHWSQXEVSA-N 1 2 282.388 0.057 20 30 CCEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O ZINC000343717132 137152096 /nfs/dbraw/zinc/15/20/96/137152096.db2.gz RHEIWTICJFZBIB-ZYHUDNBSSA-N 1 2 295.364 0.040 20 30 CCEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O ZINC000343717132 137152097 /nfs/dbraw/zinc/15/20/97/137152097.db2.gz RHEIWTICJFZBIB-ZYHUDNBSSA-N 1 2 295.364 0.040 20 30 CCEDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000339356556 215117032 /nfs/dbraw/zinc/11/70/32/215117032.db2.gz GVOWEDFCIDJRID-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000339356556 215117034 /nfs/dbraw/zinc/11/70/34/215117034.db2.gz GVOWEDFCIDJRID-LBPRGKRZSA-N 1 2 277.324 0.499 20 30 CCEDLO COC(=O)Cn1cc(C[NH2+]Cc2cc(C#N)cs2)nn1 ZINC000344833215 137215941 /nfs/dbraw/zinc/21/59/41/137215941.db2.gz DTHHDQJPOLEJKH-UHFFFAOYSA-N 1 2 291.336 0.674 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000032490087 348133805 /nfs/dbraw/zinc/13/38/05/348133805.db2.gz GWHQUOWNXFYAMO-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO N#Cc1cc(C[NH+]2CCN(c3nc[nH]n3)CC2)ccn1 ZINC000602869626 362852395 /nfs/dbraw/zinc/85/23/95/362852395.db2.gz MTYFLTRUVGMUGV-UHFFFAOYSA-N 1 2 269.312 0.394 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000042294641 348273110 /nfs/dbraw/zinc/27/31/10/348273110.db2.gz NGGUXJNYHSNTAY-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000042294641 348273112 /nfs/dbraw/zinc/27/31/12/348273112.db2.gz NGGUXJNYHSNTAY-ZDUSSCGKSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC#N)CC1 ZINC000046511911 348358895 /nfs/dbraw/zinc/35/88/95/348358895.db2.gz LQPDOBIJUMPCQJ-ZDUSSCGKSA-N 1 2 264.373 0.529 20 30 CCEDLO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602973502 362917103 /nfs/dbraw/zinc/91/71/03/362917103.db2.gz BAGJBCXLGGUGDA-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602973502 362917105 /nfs/dbraw/zinc/91/71/05/362917105.db2.gz BAGJBCXLGGUGDA-RYUDHWBXSA-N 1 2 251.330 0.469 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977130 362918445 /nfs/dbraw/zinc/91/84/45/362918445.db2.gz YGRIQVYHCFAPPI-GARJFASQSA-N 1 2 266.345 0.845 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977130 362918449 /nfs/dbraw/zinc/91/84/49/362918449.db2.gz YGRIQVYHCFAPPI-GARJFASQSA-N 1 2 266.345 0.845 20 30 CCEDLO C=CCNC(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000053423571 348529022 /nfs/dbraw/zinc/52/90/22/348529022.db2.gz AKISWSNMPSFPPZ-UHFFFAOYSA-N 1 2 250.346 0.210 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(CCCC#N)CC1 ZINC000053423571 348529025 /nfs/dbraw/zinc/52/90/25/348529025.db2.gz AKISWSNMPSFPPZ-UHFFFAOYSA-N 1 2 250.346 0.210 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000054867723 348565210 /nfs/dbraw/zinc/56/52/10/348565210.db2.gz NHWBYYSQUAJGLW-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC000054867723 348565212 /nfs/dbraw/zinc/56/52/12/348565212.db2.gz NHWBYYSQUAJGLW-BXUZGUMPSA-N 1 2 280.372 0.251 20 30 CCEDLO C#CC[NH+](CC#C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000072906942 348937538 /nfs/dbraw/zinc/93/75/38/348937538.db2.gz QZFASJIMPUQPKO-HNNXBMFYSA-N 1 2 282.343 0.675 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000072701410 348928594 /nfs/dbraw/zinc/92/85/94/348928594.db2.gz MJQSJDLHPCBNGQ-RISCZKNCSA-N 1 2 282.388 0.449 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000072701410 348928597 /nfs/dbraw/zinc/92/85/97/348928597.db2.gz MJQSJDLHPCBNGQ-RISCZKNCSA-N 1 2 282.388 0.449 20 30 CCEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ncc(C)o2)CC1 ZINC000075586905 349039982 /nfs/dbraw/zinc/03/99/82/349039982.db2.gz RAUJCBJJPUHFDF-UHFFFAOYSA-N 1 2 278.356 0.403 20 30 CCEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000083173271 349303172 /nfs/dbraw/zinc/30/31/72/349303172.db2.gz SAFNTTIBKQXKKD-MNOVXSKESA-N 1 2 277.349 0.792 20 30 CCEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1=O ZINC000083173271 349303176 /nfs/dbraw/zinc/30/31/76/349303176.db2.gz SAFNTTIBKQXKKD-MNOVXSKESA-N 1 2 277.349 0.792 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000081040917 349243361 /nfs/dbraw/zinc/24/33/61/349243361.db2.gz ZNPWTWTXVKWXST-SNVBAGLBSA-N 1 2 252.318 0.622 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000081040917 349243363 /nfs/dbraw/zinc/24/33/63/349243363.db2.gz ZNPWTWTXVKWXST-SNVBAGLBSA-N 1 2 252.318 0.622 20 30 CCEDLO N#CCCN(CCn1cccn1)CC[NH+]1CCOCC1 ZINC000081158555 349248274 /nfs/dbraw/zinc/24/82/74/349248274.db2.gz RPHZTFKLSYKBTD-UHFFFAOYSA-N 1 2 277.372 0.431 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)cn1C ZINC000081731077 349281065 /nfs/dbraw/zinc/28/10/65/349281065.db2.gz KWPXEUNOXRYFHM-UHFFFAOYSA-N 1 2 276.340 0.301 20 30 CCEDLO C[C@@](O)(CNc1ncc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000413168647 233361403 /nfs/dbraw/zinc/36/14/03/233361403.db2.gz XDWPUEKADRVYJL-CQSZACIVSA-N 1 2 294.330 0.587 20 30 CCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000151735826 350508454 /nfs/dbraw/zinc/50/84/54/350508454.db2.gz YHHJWFVABBIKJA-UHFFFAOYSA-N 1 2 283.328 0.633 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000110656992 186310918 /nfs/dbraw/zinc/31/09/18/186310918.db2.gz VWGRZONHGYXJNQ-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000110656992 186310920 /nfs/dbraw/zinc/31/09/20/186310920.db2.gz VWGRZONHGYXJNQ-LLVKDONJSA-N 1 2 286.335 0.707 20 30 CCEDLO CC1(C)COCC[N@@H+]1CCNc1nccnc1C#N ZINC000170869423 350870813 /nfs/dbraw/zinc/87/08/13/350870813.db2.gz YKPSUEPROLXYLG-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO CC1(C)COCC[N@H+]1CCNc1nccnc1C#N ZINC000170869423 350870814 /nfs/dbraw/zinc/87/08/14/350870814.db2.gz YKPSUEPROLXYLG-UHFFFAOYSA-N 1 2 261.329 0.871 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](CC)C(N)=O)c1 ZINC000171078726 350883649 /nfs/dbraw/zinc/88/36/49/350883649.db2.gz ODRWAXCPBIBKIK-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](CC)C(N)=O)c1 ZINC000171078726 350883650 /nfs/dbraw/zinc/88/36/50/350883650.db2.gz ODRWAXCPBIBKIK-CYBMUJFWSA-N 1 2 273.336 0.802 20 30 CCEDLO CC[C@@H](CC#N)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000603307913 363058366 /nfs/dbraw/zinc/05/83/66/363058366.db2.gz GIPQRKHOOXVPIO-JTQLQIEISA-N 1 2 256.331 0.495 20 30 CCEDLO C[C@]1(C#N)CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000603309163 363058429 /nfs/dbraw/zinc/05/84/29/363058429.db2.gz PTFRETURVYYDOG-GFCCVEGCSA-N 1 2 282.369 0.839 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1CCO ZINC000188781732 351627055 /nfs/dbraw/zinc/62/70/55/351627055.db2.gz IKVBKARTSNBJDN-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1CCO ZINC000188781732 351627061 /nfs/dbraw/zinc/62/70/61/351627061.db2.gz IKVBKARTSNBJDN-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCN(CCC#N)CCC#N ZINC000192771574 351796691 /nfs/dbraw/zinc/79/66/91/351796691.db2.gz NYZLUTDUTSAYOY-ZDUSSCGKSA-N 1 2 250.346 0.836 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCN(CCC#N)CCC#N ZINC000192771574 351796694 /nfs/dbraw/zinc/79/66/94/351796694.db2.gz NYZLUTDUTSAYOY-ZDUSSCGKSA-N 1 2 250.346 0.836 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000231898575 352137329 /nfs/dbraw/zinc/13/73/29/352137329.db2.gz LYHMZZPQTVRLPI-NSHDSACASA-N 1 2 261.329 0.789 20 30 CCEDLO N#Cc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])s1 ZINC000230370897 352114117 /nfs/dbraw/zinc/11/41/17/352114117.db2.gz OBHWVLCKBSCCIQ-UHFFFAOYSA-N 1 2 281.309 0.492 20 30 CCEDLO N#Cc1ccc(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)cc1Cl ZINC000236525760 352196732 /nfs/dbraw/zinc/19/67/32/352196732.db2.gz FIHYHMNBCOQFLZ-VXGBXAGGSA-N 1 2 295.726 0.188 20 30 CCEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000266931644 352733319 /nfs/dbraw/zinc/73/33/19/352733319.db2.gz OSAMRHZECZZDIU-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000266931644 352733321 /nfs/dbraw/zinc/73/33/21/352733321.db2.gz OSAMRHZECZZDIU-UHFFFAOYSA-N 1 2 295.364 0.228 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267459042 352768407 /nfs/dbraw/zinc/76/84/07/352768407.db2.gz UOSVYZPWFLEBRN-GFCCVEGCSA-N 1 2 292.408 0.711 20 30 CCEDLO C=CCN(CC=C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000272552826 353074149 /nfs/dbraw/zinc/07/41/49/353074149.db2.gz RGKJOKRUPWSCEL-UHFFFAOYSA-N 1 2 288.413 0.713 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CCCC(C)=O)CC1 ZINC000274676630 353152073 /nfs/dbraw/zinc/15/20/73/353152073.db2.gz MRKUJMCZKNWMLD-UHFFFAOYSA-N 1 2 250.342 0.913 20 30 CCEDLO N#Cc1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000274679585 353152605 /nfs/dbraw/zinc/15/26/05/353152605.db2.gz IAKBFQUKQHUDRA-UHFFFAOYSA-N 1 2 299.338 0.621 20 30 CCEDLO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000280920054 353388859 /nfs/dbraw/zinc/38/88/59/353388859.db2.gz GFHLZQNXMMYJBA-UHFFFAOYSA-N 1 2 291.311 0.630 20 30 CCEDLO C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000294017900 353860640 /nfs/dbraw/zinc/86/06/40/353860640.db2.gz QHBDCWMCRLCXQD-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C#CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000294017900 353860642 /nfs/dbraw/zinc/86/06/42/353860642.db2.gz QHBDCWMCRLCXQD-UHFFFAOYSA-N 1 2 291.307 0.985 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295422383 353893301 /nfs/dbraw/zinc/89/33/01/353893301.db2.gz CNXCZSKCYDJOSW-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295422383 353893303 /nfs/dbraw/zinc/89/33/03/353893303.db2.gz CNXCZSKCYDJOSW-LLVKDONJSA-N 1 2 269.345 0.451 20 30 CCEDLO N#Cc1cccc(C#N)c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000302905509 354092170 /nfs/dbraw/zinc/09/21/70/354092170.db2.gz VWRMTGJDRGDXEU-CQSZACIVSA-N 1 2 267.336 0.842 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cn1 ZINC000308710882 354185147 /nfs/dbraw/zinc/18/51/47/354185147.db2.gz VXFOKCPDNULVOS-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330473106 354372818 /nfs/dbraw/zinc/37/28/18/354372818.db2.gz PZBOJAZQBWTLFA-LBPRGKRZSA-N 1 2 265.338 0.421 20 30 CCEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330473106 354372823 /nfs/dbraw/zinc/37/28/23/354372823.db2.gz PZBOJAZQBWTLFA-LBPRGKRZSA-N 1 2 265.338 0.421 20 30 CCEDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cnn1C ZINC000619184247 366215308 /nfs/dbraw/zinc/21/53/08/366215308.db2.gz FMZOFNXZFWVREH-LBPRGKRZSA-N 1 2 277.372 0.921 20 30 CCEDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cnn1C ZINC000619184247 366215315 /nfs/dbraw/zinc/21/53/15/366215315.db2.gz FMZOFNXZFWVREH-LBPRGKRZSA-N 1 2 277.372 0.921 20 30 CCEDLO C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)n1cnc(C#N)n1 ZINC000337004988 355246045 /nfs/dbraw/zinc/24/60/45/355246045.db2.gz ZDKJTMGLIQSFCZ-JTQLQIEISA-N 1 2 295.306 0.675 20 30 CCEDLO CC(C)[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000338882778 355444145 /nfs/dbraw/zinc/44/41/45/355444145.db2.gz ITAPFIWTWHKUCU-KOLCDFICSA-N 1 2 287.327 0.947 20 30 CCEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000340222980 355529166 /nfs/dbraw/zinc/52/91/66/355529166.db2.gz QHDYULCEFBNLRV-LBPRGKRZSA-N 1 2 259.309 0.887 20 30 CCEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222980 355529167 /nfs/dbraw/zinc/52/91/67/355529167.db2.gz QHDYULCEFBNLRV-LBPRGKRZSA-N 1 2 259.309 0.887 20 30 CCEDLO Cc1cccn2cc(CNC(=O)Cn3cnc(C#N)n3)[nH+]c12 ZINC000426602897 235340643 /nfs/dbraw/zinc/34/06/43/235340643.db2.gz LAXSWNBSOMIZBV-UHFFFAOYSA-N 1 2 295.306 0.422 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000343366968 355768897 /nfs/dbraw/zinc/76/88/97/355768897.db2.gz TXDHOWOCGAAMAW-QWHCGFSZSA-N 1 2 297.399 0.246 20 30 CCEDLO N#CCC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344141478 355786275 /nfs/dbraw/zinc/78/62/75/355786275.db2.gz LVSOCSHGIXITMB-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO N#CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344141478 355786277 /nfs/dbraw/zinc/78/62/77/355786277.db2.gz LVSOCSHGIXITMB-NSHDSACASA-N 1 2 271.386 0.694 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@](F)(C#N)C1 ZINC000619445376 366255193 /nfs/dbraw/zinc/25/51/93/366255193.db2.gz XOXFVBYNJQPYNW-LBPRGKRZSA-N 1 2 250.277 0.817 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000609449841 363496845 /nfs/dbraw/zinc/49/68/45/363496845.db2.gz OICSAIPWZLLIST-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCOCC2)CCO1 ZINC000609449841 363496851 /nfs/dbraw/zinc/49/68/51/363496851.db2.gz OICSAIPWZLLIST-LBPRGKRZSA-N 1 2 281.356 0.144 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000619720029 366340701 /nfs/dbraw/zinc/34/07/01/366340701.db2.gz UQPXPHHEXAENFJ-VXGBXAGGSA-N 1 2 254.330 0.514 20 30 CCEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000619720029 366340705 /nfs/dbraw/zinc/34/07/05/366340705.db2.gz UQPXPHHEXAENFJ-VXGBXAGGSA-N 1 2 254.330 0.514 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000619712634 366331662 /nfs/dbraw/zinc/33/16/62/366331662.db2.gz PWEDITQAIRVKTQ-GFCCVEGCSA-N 1 2 288.417 0.493 20 30 CCEDLO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000619712634 366331667 /nfs/dbraw/zinc/33/16/67/366331667.db2.gz PWEDITQAIRVKTQ-GFCCVEGCSA-N 1 2 288.417 0.493 20 30 CCEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000619718427 366338346 /nfs/dbraw/zinc/33/83/46/366338346.db2.gz LZQINIQUBMIVMI-IINYFYTJSA-N 1 2 295.339 0.024 20 30 CCEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000619718595 366338495 /nfs/dbraw/zinc/33/84/95/366338495.db2.gz RITORZLWTNVTIA-AGIUHOORSA-N 1 2 283.368 0.966 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000619722539 366342574 /nfs/dbraw/zinc/34/25/74/366342574.db2.gz OGQUDLUFTJVONF-AVGNSLFASA-N 1 2 279.340 0.155 20 30 CCEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000619722539 366342582 /nfs/dbraw/zinc/34/25/82/366342582.db2.gz OGQUDLUFTJVONF-AVGNSLFASA-N 1 2 279.340 0.155 20 30 CCEDLO N#Cc1cnn2c1NC[C@H](C[NH+]1CC(O)(C(F)F)C1)C2 ZINC000574040194 334987146 /nfs/dbraw/zinc/98/71/46/334987146.db2.gz AMOSKZTUIJQWNM-MRVPVSSYSA-N 1 2 283.282 0.108 20 30 CCEDLO C#CCn1ccc(C[N@H+](CC)CCCS(=O)(=O)NC)n1 ZINC000491632669 358295292 /nfs/dbraw/zinc/29/52/92/358295292.db2.gz ZXGLVKYJMICZHL-UHFFFAOYSA-N 1 2 298.412 0.278 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CC)CCCS(=O)(=O)NC)n1 ZINC000491632669 358295297 /nfs/dbraw/zinc/29/52/97/358295297.db2.gz ZXGLVKYJMICZHL-UHFFFAOYSA-N 1 2 298.412 0.278 20 30 CCEDLO CC(C)[C@@H](CNc1ncncc1C#N)[NH+]1CCOCC1 ZINC000568325405 358665469 /nfs/dbraw/zinc/66/54/69/358665469.db2.gz DKXHBCWMFRGNRS-CYBMUJFWSA-N 1 2 275.356 0.539 20 30 CCEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)nc1 ZINC000569375014 358760117 /nfs/dbraw/zinc/76/01/17/358760117.db2.gz ARIHUQGBDIPCQC-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)nc1 ZINC000569375014 358760120 /nfs/dbraw/zinc/76/01/20/358760120.db2.gz ARIHUQGBDIPCQC-AWEZNQCLSA-N 1 2 285.351 0.989 20 30 CCEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000571852373 358925865 /nfs/dbraw/zinc/92/58/65/358925865.db2.gz FOGOHYDVUGLUOX-ZDUSSCGKSA-N 1 2 292.383 0.445 20 30 CCEDLO C[N@@H+]1CCc2ncnc(NCC3(C#N)CCC3)c2C1 ZINC000580884246 359103870 /nfs/dbraw/zinc/10/38/70/359103870.db2.gz NOPDOACAIYNSJG-UHFFFAOYSA-N 1 2 257.341 0.992 20 30 CCEDLO C[N@H+]1CCc2ncnc(NCC3(C#N)CCC3)c2C1 ZINC000580884246 359103874 /nfs/dbraw/zinc/10/38/74/359103874.db2.gz NOPDOACAIYNSJG-UHFFFAOYSA-N 1 2 257.341 0.992 20 30 CCEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1C[N@H+](C)CCO1 ZINC000610897275 363628819 /nfs/dbraw/zinc/62/88/19/363628819.db2.gz ALFIQFPKXWDQFA-YNEHKIRRSA-N 1 2 250.346 0.739 20 30 CCEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1C[N@@H+](C)CCO1 ZINC000610897275 363628823 /nfs/dbraw/zinc/62/88/23/363628823.db2.gz ALFIQFPKXWDQFA-YNEHKIRRSA-N 1 2 250.346 0.739 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000588002844 359305269 /nfs/dbraw/zinc/30/52/69/359305269.db2.gz VLOMNCYGJDYPRD-CMPLNLGQSA-N 1 2 261.329 0.788 20 30 CCEDLO Cc1cc(C#N)nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000588002844 359305274 /nfs/dbraw/zinc/30/52/74/359305274.db2.gz VLOMNCYGJDYPRD-CMPLNLGQSA-N 1 2 261.329 0.788 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000588002846 359305422 /nfs/dbraw/zinc/30/54/22/359305422.db2.gz VLOMNCYGJDYPRD-PWSUYJOCSA-N 1 2 261.329 0.788 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000588002846 359305425 /nfs/dbraw/zinc/30/54/25/359305425.db2.gz VLOMNCYGJDYPRD-PWSUYJOCSA-N 1 2 261.329 0.788 20 30 CCEDLO CN(C)c1[nH+]cc(CNC(=O)c2cc(O)cc(C#N)c2)n1C ZINC000589181485 359366316 /nfs/dbraw/zinc/36/63/16/359366316.db2.gz WOCIGVCHZJQWBE-UHFFFAOYSA-N 1 2 299.334 0.993 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590286207 359435005 /nfs/dbraw/zinc/43/50/05/359435005.db2.gz SNVUZCDESHXNEN-UHFFFAOYSA-N 1 2 278.356 0.088 20 30 CCEDLO Cc1cc(C[NH+]2CCN(c3ccnc(C#N)n3)CC2)on1 ZINC000590571837 359487778 /nfs/dbraw/zinc/48/77/78/359487778.db2.gz IGXKHZHHZXUWGV-UHFFFAOYSA-N 1 2 284.323 0.967 20 30 CCEDLO N#CCC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000590939554 359539983 /nfs/dbraw/zinc/53/99/83/359539983.db2.gz QLKNCEPNJPBWNN-BETUJISGSA-N 1 2 292.383 0.843 20 30 CCEDLO N#CCC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000590939554 359539991 /nfs/dbraw/zinc/53/99/91/359539991.db2.gz QLKNCEPNJPBWNN-BETUJISGSA-N 1 2 292.383 0.843 20 30 CCEDLO CN1C(=O)NC2(CC[NH+](Cc3ccncc3C#N)CC2)C1=O ZINC000592083958 359751054 /nfs/dbraw/zinc/75/10/54/359751054.db2.gz AFEAYVRSGVNCMC-UHFFFAOYSA-N 1 2 299.334 0.469 20 30 CCEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592072236 359745691 /nfs/dbraw/zinc/74/56/91/359745691.db2.gz RNGRKTBPCIODFA-UHFFFAOYSA-N 1 2 287.367 0.335 20 30 CCEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000592069809 359745976 /nfs/dbraw/zinc/74/59/76/359745976.db2.gz SZUCCHQBMDQXGE-AWEZNQCLSA-N 1 2 261.325 0.927 20 30 CCEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000592069809 359745978 /nfs/dbraw/zinc/74/59/78/359745978.db2.gz SZUCCHQBMDQXGE-AWEZNQCLSA-N 1 2 261.325 0.927 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592191158 359780906 /nfs/dbraw/zinc/78/09/06/359780906.db2.gz AQTVSULHOOJDRA-DGCLKSJQSA-N 1 2 275.308 0.309 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592191158 359780910 /nfs/dbraw/zinc/78/09/10/359780910.db2.gz AQTVSULHOOJDRA-DGCLKSJQSA-N 1 2 275.308 0.309 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000592148761 359766947 /nfs/dbraw/zinc/76/69/47/359766947.db2.gz BKLITOAFSQIDPT-CQSZACIVSA-N 1 2 294.355 0.105 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000592148761 359766953 /nfs/dbraw/zinc/76/69/53/359766953.db2.gz BKLITOAFSQIDPT-CQSZACIVSA-N 1 2 294.355 0.105 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148645 359767320 /nfs/dbraw/zinc/76/73/20/359767320.db2.gz YKNRQVSNBWBCNL-VHDGCEQUSA-N 1 2 292.383 0.780 20 30 CCEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148645 359767323 /nfs/dbraw/zinc/76/73/23/359767323.db2.gz YKNRQVSNBWBCNL-VHDGCEQUSA-N 1 2 292.383 0.780 20 30 CCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000592147958 359767705 /nfs/dbraw/zinc/76/77/05/359767705.db2.gz UTRZUFBJJBEWKW-CQSZACIVSA-N 1 2 265.357 0.786 20 30 CCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000592147958 359767709 /nfs/dbraw/zinc/76/77/09/359767709.db2.gz UTRZUFBJJBEWKW-CQSZACIVSA-N 1 2 265.357 0.786 20 30 CCEDLO CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149961 359768642 /nfs/dbraw/zinc/76/86/42/359768642.db2.gz AFFPZKULKUCOOH-HNNXBMFYSA-N 1 2 297.399 0.516 20 30 CCEDLO CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149961 359768647 /nfs/dbraw/zinc/76/86/47/359768647.db2.gz AFFPZKULKUCOOH-HNNXBMFYSA-N 1 2 297.399 0.516 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149226 359768689 /nfs/dbraw/zinc/76/86/89/359768689.db2.gz LFBZGBMFBDAONR-HZMBPMFUSA-N 1 2 296.371 0.350 20 30 CCEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149226 359768692 /nfs/dbraw/zinc/76/86/92/359768692.db2.gz LFBZGBMFBDAONR-HZMBPMFUSA-N 1 2 296.371 0.350 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611253398 363697881 /nfs/dbraw/zinc/69/78/81/363697881.db2.gz PALKLZJMSJNYOD-UHFFFAOYSA-N 1 2 268.324 0.999 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000593061196 360024375 /nfs/dbraw/zinc/02/43/75/360024375.db2.gz PNZYTTRUNSBCSD-UONOGXRCSA-N 1 2 289.335 0.578 20 30 CCEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000593061196 360024377 /nfs/dbraw/zinc/02/43/77/360024377.db2.gz PNZYTTRUNSBCSD-UONOGXRCSA-N 1 2 289.335 0.578 20 30 CCEDLO CC[C@H](C#N)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000593456363 360092316 /nfs/dbraw/zinc/09/23/16/360092316.db2.gz RXFDLEHPBAIDMV-GRYCIOLGSA-N 1 2 253.346 0.762 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)C(=O)NC2 ZINC000593341437 360069097 /nfs/dbraw/zinc/06/90/97/360069097.db2.gz YKLDWJMLHDWHKQ-GFCCVEGCSA-N 1 2 289.335 0.515 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)C(=O)NC2 ZINC000593341437 360069099 /nfs/dbraw/zinc/06/90/99/360069099.db2.gz YKLDWJMLHDWHKQ-GFCCVEGCSA-N 1 2 289.335 0.515 20 30 CCEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C)n2cnc(C#N)n2)[nH+]1 ZINC000593735593 360144255 /nfs/dbraw/zinc/14/42/55/360144255.db2.gz QVECPEPJLXYDEV-SECBINFHSA-N 1 2 287.327 0.794 20 30 CCEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)n2cnc(C#N)n2)[nH+]1 ZINC000593735594 360144381 /nfs/dbraw/zinc/14/43/81/360144381.db2.gz QVECPEPJLXYDEV-VIFPVBQESA-N 1 2 287.327 0.794 20 30 CCEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000593743807 360145305 /nfs/dbraw/zinc/14/53/05/360145305.db2.gz LFRBEWJKELWISD-LBPRGKRZSA-N 1 2 283.372 0.342 20 30 CCEDLO COCCOCC[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000593886260 360194533 /nfs/dbraw/zinc/19/45/33/360194533.db2.gz GUTNDUQFRGMNCH-UHFFFAOYSA-N 1 2 295.383 0.487 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)C1 ZINC000177075665 189027002 /nfs/dbraw/zinc/02/70/02/189027002.db2.gz KAAMLSRKLQNPQY-CHWSQXEVSA-N 1 2 260.293 0.839 20 30 CCEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)C1 ZINC000177075665 189027003 /nfs/dbraw/zinc/02/70/03/189027003.db2.gz KAAMLSRKLQNPQY-CHWSQXEVSA-N 1 2 260.293 0.839 20 30 CCEDLO N#CCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000594003504 360232641 /nfs/dbraw/zinc/23/26/41/360232641.db2.gz OIKIXULMVBLXCS-UHFFFAOYSA-N 1 2 258.325 0.682 20 30 CCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCCC#N ZINC000594281049 360268475 /nfs/dbraw/zinc/26/84/75/360268475.db2.gz BBFNPSXRRJPUAQ-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCCC#N ZINC000594281049 360268481 /nfs/dbraw/zinc/26/84/81/360268481.db2.gz BBFNPSXRRJPUAQ-GFCCVEGCSA-N 1 2 253.346 0.907 20 30 CCEDLO Cn1ncc2c1nc(N)[nH+]c2NC1CCN(CC#N)CC1 ZINC000594550172 360329427 /nfs/dbraw/zinc/32/94/27/360329427.db2.gz NGTIUKHAPFDNTN-UHFFFAOYSA-N 1 2 286.343 0.176 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595445262 360534166 /nfs/dbraw/zinc/53/41/66/360534166.db2.gz WBVHQHDGTNMXEZ-TZMCWYRMSA-N 1 2 280.372 0.652 20 30 CCEDLO C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1[nH+]ccn1C ZINC000595384569 360515472 /nfs/dbraw/zinc/51/54/72/360515472.db2.gz YBYIYUSOHGFBLK-VHSXEESVSA-N 1 2 285.373 0.549 20 30 CCEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1[nH+]ccn1C ZINC000595383946 360515543 /nfs/dbraw/zinc/51/55/43/360515543.db2.gz RRUSOSKVSNSPPU-SECBINFHSA-N 1 2 268.342 0.704 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836899 360674530 /nfs/dbraw/zinc/67/45/30/360674530.db2.gz AVNWWMBHMFGIPG-UKRRQHHQSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836899 360674533 /nfs/dbraw/zinc/67/45/33/360674533.db2.gz AVNWWMBHMFGIPG-UKRRQHHQSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836897 360674939 /nfs/dbraw/zinc/67/49/39/360674939.db2.gz AVNWWMBHMFGIPG-DZGCQCFKSA-N 1 2 292.383 0.349 20 30 CCEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836897 360674941 /nfs/dbraw/zinc/67/49/41/360674941.db2.gz AVNWWMBHMFGIPG-DZGCQCFKSA-N 1 2 292.383 0.349 20 30 CCEDLO COC(=O)Cn1cc(CC[N@@H+]2CC[C@](C)(C#N)C2)nn1 ZINC000595842836 360675845 /nfs/dbraw/zinc/67/58/45/360675845.db2.gz HRYYACVCUAVVBB-CYBMUJFWSA-N 1 2 277.328 0.229 20 30 CCEDLO COC(=O)Cn1cc(CC[N@H+]2CC[C@](C)(C#N)C2)nn1 ZINC000595842836 360675848 /nfs/dbraw/zinc/67/58/48/360675848.db2.gz HRYYACVCUAVVBB-CYBMUJFWSA-N 1 2 277.328 0.229 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CC2)[C@@H](C)CO1 ZINC000596586909 360926087 /nfs/dbraw/zinc/92/60/87/360926087.db2.gz GXNSKIQHSXLLIW-RYUDHWBXSA-N 1 2 280.372 0.699 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CC2)[C@@H](C)CO1 ZINC000596586909 360926089 /nfs/dbraw/zinc/92/60/89/360926089.db2.gz GXNSKIQHSXLLIW-RYUDHWBXSA-N 1 2 280.372 0.699 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000597261445 361044413 /nfs/dbraw/zinc/04/44/13/361044413.db2.gz PBPPVHBOTYWJQV-SNVBAGLBSA-N 1 2 284.323 0.685 20 30 CCEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]1 ZINC000597261445 361044419 /nfs/dbraw/zinc/04/44/19/361044419.db2.gz PBPPVHBOTYWJQV-SNVBAGLBSA-N 1 2 284.323 0.685 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597273350 361047463 /nfs/dbraw/zinc/04/74/63/361047463.db2.gz DQJZUTMFTODTDL-NSHDSACASA-N 1 2 273.340 0.182 20 30 CCEDLO N#CCN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597273350 361047467 /nfs/dbraw/zinc/04/74/67/361047467.db2.gz DQJZUTMFTODTDL-NSHDSACASA-N 1 2 273.340 0.182 20 30 CCEDLO C[C@H](CC#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000597579331 361144328 /nfs/dbraw/zinc/14/43/28/361144328.db2.gz ZCRBTSFPGUQZFG-NEPJUHHUSA-N 1 2 253.346 0.715 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000597741688 361223517 /nfs/dbraw/zinc/22/35/17/361223517.db2.gz PLCCVSOZQZLHEH-KGLIPLIRSA-N 1 2 291.326 0.791 20 30 CCEDLO N#C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000597741688 361223520 /nfs/dbraw/zinc/22/35/20/361223520.db2.gz PLCCVSOZQZLHEH-KGLIPLIRSA-N 1 2 291.326 0.791 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)nc2)[C@@H](C)CO1 ZINC000597999944 361306304 /nfs/dbraw/zinc/30/63/04/361306304.db2.gz TVMBAVMBFAIQDO-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)nc2)[C@@H](C)CO1 ZINC000597999944 361306306 /nfs/dbraw/zinc/30/63/06/361306306.db2.gz TVMBAVMBFAIQDO-RYUDHWBXSA-N 1 2 288.351 0.792 20 30 CCEDLO COCC#CC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621355749 366744320 /nfs/dbraw/zinc/74/43/20/366744320.db2.gz WMCIRAAMGBCJRM-AWEZNQCLSA-N 1 2 279.361 0.896 20 30 CCEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000598151296 361344449 /nfs/dbraw/zinc/34/44/49/361344449.db2.gz UXHYXCAJRHJCQN-CYBMUJFWSA-N 1 2 288.351 0.443 20 30 CCEDLO Cc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)ccn1 ZINC000598620943 361461578 /nfs/dbraw/zinc/46/15/78/361461578.db2.gz QGRGFNYQOVYIEZ-UHFFFAOYSA-N 1 2 258.325 0.948 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C(C)(C)n1cccn1 ZINC000598836401 361523169 /nfs/dbraw/zinc/52/31/69/361523169.db2.gz IETKHASXVCTXLI-ZDUSSCGKSA-N 1 2 263.345 0.578 20 30 CCEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1C#N ZINC000599434855 361700745 /nfs/dbraw/zinc/70/07/45/361700745.db2.gz KBNIUFKAZKRXQE-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cc1C#N ZINC000599434855 361700753 /nfs/dbraw/zinc/70/07/53/361700753.db2.gz KBNIUFKAZKRXQE-CQSZACIVSA-N 1 2 273.336 0.943 20 30 CCEDLO COCCOCC[N@H+](CCO)Cc1nc(C#N)cs1 ZINC000599541387 361732707 /nfs/dbraw/zinc/73/27/07/361732707.db2.gz IEPDAHWTXZNSHF-UHFFFAOYSA-N 1 2 285.369 0.472 20 30 CCEDLO COCCOCC[N@@H+](CCO)Cc1nc(C#N)cs1 ZINC000599541387 361732708 /nfs/dbraw/zinc/73/27/08/361732708.db2.gz IEPDAHWTXZNSHF-UHFFFAOYSA-N 1 2 285.369 0.472 20 30 CCEDLO CCNC(=O)C[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000612070231 363841748 /nfs/dbraw/zinc/84/17/48/363841748.db2.gz CSBQPFSKOSIKJT-UHFFFAOYSA-N 1 2 287.367 0.520 20 30 CCEDLO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000615551070 365003528 /nfs/dbraw/zinc/00/35/28/365003528.db2.gz GQIUNGKVCCITKD-GXFFZTMASA-N 1 2 277.303 0.845 20 30 CCEDLO COCCN1CCC[N@H+](Cc2ccnc(C#N)c2)CC1=O ZINC000615821198 365095900 /nfs/dbraw/zinc/09/59/00/365095900.db2.gz KEASBUAGGKEWOP-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO COCCN1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1=O ZINC000615821198 365095903 /nfs/dbraw/zinc/09/59/03/365095903.db2.gz KEASBUAGGKEWOP-UHFFFAOYSA-N 1 2 288.351 0.634 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624728818 367969963 /nfs/dbraw/zinc/96/99/63/367969963.db2.gz BFDYWNGVTYTTIP-OLZOCXBDSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624728818 367969968 /nfs/dbraw/zinc/96/99/68/367969968.db2.gz BFDYWNGVTYTTIP-OLZOCXBDSA-N 1 2 267.373 0.925 20 30 CCEDLO C=CCCCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624735304 367975767 /nfs/dbraw/zinc/97/57/67/367975767.db2.gz QOKVKHXCZWTINB-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO C=CCCCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624735304 367975770 /nfs/dbraw/zinc/97/57/70/367975770.db2.gz QOKVKHXCZWTINB-LBPRGKRZSA-N 1 2 255.362 0.925 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000625065645 368056431 /nfs/dbraw/zinc/05/64/31/368056431.db2.gz JIVMIOSQFVHUHG-ZDUSSCGKSA-N 1 2 251.374 0.494 20 30 CCEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000625065645 368056436 /nfs/dbraw/zinc/05/64/36/368056436.db2.gz JIVMIOSQFVHUHG-ZDUSSCGKSA-N 1 2 251.374 0.494 20 30 CCEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094837 368438058 /nfs/dbraw/zinc/43/80/58/368438058.db2.gz KIWVXHRXTTYSFA-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626094837 368438066 /nfs/dbraw/zinc/43/80/66/368438066.db2.gz KIWVXHRXTTYSFA-NSHDSACASA-N 1 2 262.375 0.203 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330641659 203068342 /nfs/dbraw/zinc/06/83/42/203068342.db2.gz IWYQKICOSPUIIS-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330641659 203068345 /nfs/dbraw/zinc/06/83/45/203068345.db2.gz IWYQKICOSPUIIS-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000574287172 335006987 /nfs/dbraw/zinc/00/69/87/335006987.db2.gz BPNQRGMHDRREOK-UHFFFAOYSA-N 1 2 273.336 0.737 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330793028 203243137 /nfs/dbraw/zinc/24/31/37/203243137.db2.gz VCZPGFDBTIBAHE-ZDUSSCGKSA-N 1 2 297.355 0.950 20 30 CCEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330793028 203243141 /nfs/dbraw/zinc/24/31/41/203243141.db2.gz VCZPGFDBTIBAHE-ZDUSSCGKSA-N 1 2 297.355 0.950 20 30 CCEDLO C=CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000630408441 370102188 /nfs/dbraw/zinc/10/21/88/370102188.db2.gz MJULXZRMHMRYGI-UHFFFAOYSA-N 1 2 275.356 0.532 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000248991432 261230786 /nfs/dbraw/zinc/23/07/86/261230786.db2.gz FWHQJAHJXIVMFA-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000331360488 203762483 /nfs/dbraw/zinc/76/24/83/203762483.db2.gz XWQDGQCAMPADSD-UHFFFAOYSA-N 1 2 276.340 0.727 20 30 CCEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000044765887 326939011 /nfs/dbraw/zinc/93/90/11/326939011.db2.gz AEEAGFBKFIUMJW-UHFFFAOYSA-N 1 2 253.346 0.453 20 30 CCEDLO C[N@H+](CCCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289508927 197383404 /nfs/dbraw/zinc/38/34/04/197383404.db2.gz UZHNILZRDSFMSK-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO C[N@@H+](CCCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289508927 197383406 /nfs/dbraw/zinc/38/34/06/197383406.db2.gz UZHNILZRDSFMSK-UHFFFAOYSA-N 1 2 297.380 0.431 20 30 CCEDLO COCC#CC[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639912771 376125744 /nfs/dbraw/zinc/12/57/44/376125744.db2.gz QUEFORLTTNZPGA-UHFFFAOYSA-N 1 2 261.325 0.631 20 30 CCEDLO COCC#CC[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639912771 376125748 /nfs/dbraw/zinc/12/57/48/376125748.db2.gz QUEFORLTTNZPGA-UHFFFAOYSA-N 1 2 261.325 0.631 20 30 CCEDLO CC#CC[NH2+]Cc1cn(CCO[C@@H]2CCCCO2)nn1 ZINC000640940920 376629294 /nfs/dbraw/zinc/62/92/94/376629294.db2.gz KOPRJBSUPOYPOX-CQSZACIVSA-N 1 2 278.356 0.934 20 30 CCEDLO C=C(C)[C@@H](CO)n1cc(C[NH+]2CCSCC2)nn1 ZINC000641084549 376756379 /nfs/dbraw/zinc/75/63/79/376756379.db2.gz NHGZAWGCDYATDV-GFCCVEGCSA-N 1 2 268.386 0.936 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641212479 376892872 /nfs/dbraw/zinc/89/28/72/376892872.db2.gz LIZFBDQCLASYRX-ZDUSSCGKSA-N 1 2 268.361 0.683 20 30 CCEDLO C=CCC[C@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000641212479 376892875 /nfs/dbraw/zinc/89/28/75/376892875.db2.gz LIZFBDQCLASYRX-ZDUSSCGKSA-N 1 2 268.361 0.683 20 30 CCEDLO C=CCN([C@H](C)COC)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641621843 377326611 /nfs/dbraw/zinc/32/66/11/377326611.db2.gz ICGGOCVJGFDRBP-GFCCVEGCSA-N 1 2 287.385 0.736 20 30 CCEDLO C=CCCOCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278491778 194009310 /nfs/dbraw/zinc/00/93/10/194009310.db2.gz WINPCUCNLSFCKD-UHFFFAOYSA-N 1 2 262.317 0.950 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@H]2CCCCNC2=O)nn1 ZINC000657305916 412957958 /nfs/dbraw/zinc/95/79/58/412957958.db2.gz NZNDDFHWYVPWEW-LBPRGKRZSA-N 1 2 263.345 0.613 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668221 285037021 /nfs/dbraw/zinc/03/70/21/285037021.db2.gz QLDXXHQEEJPTEX-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668221 285037025 /nfs/dbraw/zinc/03/70/25/285037025.db2.gz QLDXXHQEEJPTEX-VXGBXAGGSA-N 1 2 280.372 0.157 20 30 CCEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC)Cc1ccccc1 ZINC000285655059 388795507 /nfs/dbraw/zinc/79/55/07/388795507.db2.gz LWEJQUCWPTVJEE-UHFFFAOYSA-N 1 2 273.336 0.968 20 30 CCEDLO C#CC[N@H+](CC(=O)NC(=O)NCC)Cc1ccccc1 ZINC000285655059 388795509 /nfs/dbraw/zinc/79/55/09/388795509.db2.gz LWEJQUCWPTVJEE-UHFFFAOYSA-N 1 2 273.336 0.968 20 30 CCEDLO CC#CC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000283232319 388764130 /nfs/dbraw/zinc/76/41/30/388764130.db2.gz OYXUJLCUDWVRLM-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO CC#CC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000283232319 388764134 /nfs/dbraw/zinc/76/41/34/388764134.db2.gz OYXUJLCUDWVRLM-UHFFFAOYSA-N 1 2 279.384 0.412 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184587969 388775321 /nfs/dbraw/zinc/77/53/21/388775321.db2.gz WJLHRQZOEXQWDO-MNOVXSKESA-N 1 2 295.339 0.957 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000025642670 388816958 /nfs/dbraw/zinc/81/69/58/388816958.db2.gz QDJKZQHUBOSCMK-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000025642670 388816962 /nfs/dbraw/zinc/81/69/62/388816962.db2.gz QDJKZQHUBOSCMK-UWVGGRQHSA-N 1 2 255.318 0.107 20 30 CCEDLO N#Cc1ccccc1OCC(=O)NCCn1cc[nH+]c1 ZINC000041904501 388863834 /nfs/dbraw/zinc/86/38/34/388863834.db2.gz CJIBHRFLUGOJPA-UHFFFAOYSA-N 1 2 270.292 0.950 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187390969 388879964 /nfs/dbraw/zinc/87/99/64/388879964.db2.gz FLPXEDGWHKQCFC-VXGBXAGGSA-N 1 2 280.372 0.334 20 30 CCEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187390969 388879966 /nfs/dbraw/zinc/87/99/66/388879966.db2.gz FLPXEDGWHKQCFC-VXGBXAGGSA-N 1 2 280.372 0.334 20 30 CCEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)CC[N@@H+]1CCO ZINC000187283981 388875557 /nfs/dbraw/zinc/87/55/57/388875557.db2.gz YMCFTEBUYUNZDC-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)CC[N@H+]1CCO ZINC000187283981 388875558 /nfs/dbraw/zinc/87/55/58/388875558.db2.gz YMCFTEBUYUNZDC-SNVBAGLBSA-N 1 2 279.365 0.758 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071015453 388956727 /nfs/dbraw/zinc/95/67/27/388956727.db2.gz DPNQCDGQXAOMJZ-NEPJUHHUSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071015453 388956729 /nfs/dbraw/zinc/95/67/29/388956729.db2.gz DPNQCDGQXAOMJZ-NEPJUHHUSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192223376 389027565 /nfs/dbraw/zinc/02/75/65/389027565.db2.gz NNAZSOQDOAIVSG-NSHDSACASA-N 1 2 271.320 0.925 20 30 CCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192223376 389027568 /nfs/dbraw/zinc/02/75/68/389027568.db2.gz NNAZSOQDOAIVSG-NSHDSACASA-N 1 2 271.320 0.925 20 30 CCEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000298528071 389028882 /nfs/dbraw/zinc/02/88/82/389028882.db2.gz RYDPKJNMQGMAFM-CQSZACIVSA-N 1 2 299.378 0.744 20 30 CCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000192228698 389029675 /nfs/dbraw/zinc/02/96/75/389029675.db2.gz KTIMPVXRJZQTOY-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000192228698 389029680 /nfs/dbraw/zinc/02/96/80/389029680.db2.gz KTIMPVXRJZQTOY-SNVBAGLBSA-N 1 2 295.364 0.226 20 30 CCEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735247 389031360 /nfs/dbraw/zinc/03/13/60/389031360.db2.gz XETVSXUQAFXUEZ-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000092735247 389031361 /nfs/dbraw/zinc/03/13/61/389031361.db2.gz XETVSXUQAFXUEZ-AWEZNQCLSA-N 1 2 276.336 0.938 20 30 CCEDLO NC(CN1CCOCC1)=[NH+]OCc1cnc(Cl)s1 ZINC000089738035 389017607 /nfs/dbraw/zinc/01/76/07/389017607.db2.gz YCQFGANHWFJFPU-UHFFFAOYSA-N 1 2 290.776 0.918 20 30 CCEDLO C#CC[NH+](CC#C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551357 389021080 /nfs/dbraw/zinc/02/10/80/389021080.db2.gz NVMMEJVRIAIRHU-UHFFFAOYSA-N 1 2 259.265 0.325 20 30 CCEDLO Cc1nc(N2CCN(c3ccc(C#N)nn3)CC2)cc[nH+]1 ZINC000302159052 389063997 /nfs/dbraw/zinc/06/39/97/389063997.db2.gz OHGKQEIWWUEYDU-UHFFFAOYSA-N 1 2 281.323 0.773 20 30 CCEDLO COCC[N@@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000117369853 260035303 /nfs/dbraw/zinc/03/53/03/260035303.db2.gz FCOZXJMZJMSBBI-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO COCC[N@H+]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000117369853 260035305 /nfs/dbraw/zinc/03/53/05/260035305.db2.gz FCOZXJMZJMSBBI-LBPRGKRZSA-N 1 2 289.401 0.272 20 30 CCEDLO CC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000104104218 389079651 /nfs/dbraw/zinc/07/96/51/389079651.db2.gz GRMDFNSVMYHNRN-UHFFFAOYSA-N 1 2 259.375 0.648 20 30 CCEDLO Cc1cc(C)n2c(C[NH+]3CCN(CC#N)CC3)cnc2n1 ZINC000092936285 389033354 /nfs/dbraw/zinc/03/33/54/389033354.db2.gz KPDQEHFNOIJJAT-UHFFFAOYSA-N 1 2 284.367 0.987 20 30 CCEDLO C[C@@H](NC(=O)c1cnn(C)c1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000355665276 389108892 /nfs/dbraw/zinc/10/88/92/389108892.db2.gz UXVKUHAWZQPIAN-GHMZBOCLSA-N 1 2 291.355 0.131 20 30 CCEDLO C=CCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000358309158 389148006 /nfs/dbraw/zinc/14/80/06/389148006.db2.gz TYTLOHKZZRPWOD-UHFFFAOYSA-N 1 2 263.345 0.433 20 30 CCEDLO N#CCCOCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000338884270 389118811 /nfs/dbraw/zinc/11/88/11/389118811.db2.gz RVOXXXLNUPBXGN-UHFFFAOYSA-N 1 2 294.399 0.157 20 30 CCEDLO C[C@H]1CN(CC#CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000339585209 389135590 /nfs/dbraw/zinc/13/55/90/389135590.db2.gz RMZISLXKDSVBHW-KBPBESRZSA-N 1 2 252.358 0.431 20 30 CCEDLO C[C@H]1CN(CC#CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000339585209 389135593 /nfs/dbraw/zinc/13/55/93/389135593.db2.gz RMZISLXKDSVBHW-KBPBESRZSA-N 1 2 252.358 0.431 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CCOCC1 ZINC000328834359 389140367 /nfs/dbraw/zinc/14/03/67/389140367.db2.gz WPOXVOXBQUKWIJ-LBPRGKRZSA-N 1 2 285.388 0.732 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C1CCOCC1 ZINC000328834359 389140369 /nfs/dbraw/zinc/14/03/69/389140369.db2.gz WPOXVOXBQUKWIJ-LBPRGKRZSA-N 1 2 285.388 0.732 20 30 CCEDLO CN1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1=O ZINC000329645293 389182068 /nfs/dbraw/zinc/18/20/68/389182068.db2.gz ZLSBDUWMNSXTGC-JTQLQIEISA-N 1 2 277.328 0.406 20 30 CCEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CCOC2)CC1 ZINC000329650036 389182427 /nfs/dbraw/zinc/18/24/27/389182427.db2.gz CDFITCWZZSWSNN-AWEZNQCLSA-N 1 2 283.372 0.534 20 30 CCEDLO C[S@@](=O)C1(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329673814 389186297 /nfs/dbraw/zinc/18/62/97/389186297.db2.gz SYLQXLMYPGRFPK-LJQANCHMSA-N 1 2 282.369 0.524 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCC#N ZINC000360486750 389198438 /nfs/dbraw/zinc/19/84/38/389198438.db2.gz FRFWNMIGWGPGBH-GFCCVEGCSA-N 1 2 253.346 0.859 20 30 CCEDLO CCNC(=O)C1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329339868 389158330 /nfs/dbraw/zinc/15/83/30/389158330.db2.gz RGYZFGSZVUNGCP-UHFFFAOYSA-N 1 2 295.383 0.676 20 30 CCEDLO Cc1cc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)on1 ZINC000329356193 389159112 /nfs/dbraw/zinc/15/91/12/389159112.db2.gz GWOBJUCFGSEZMH-NSHDSACASA-N 1 2 281.360 0.232 20 30 CCEDLO Cc1cc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)on1 ZINC000329356193 389159115 /nfs/dbraw/zinc/15/91/15/389159115.db2.gz GWOBJUCFGSEZMH-NSHDSACASA-N 1 2 281.360 0.232 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@@H]1CCCOC1 ZINC000329393633 389161385 /nfs/dbraw/zinc/16/13/85/389161385.db2.gz UUDGMRQHRYKZQJ-DGAVXFQQSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@@H]1CCCOC1 ZINC000329393633 389161386 /nfs/dbraw/zinc/16/13/86/389161386.db2.gz UUDGMRQHRYKZQJ-DGAVXFQQSA-N 1 2 297.399 0.730 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000125878228 389168485 /nfs/dbraw/zinc/16/84/85/389168485.db2.gz WHNVHPDPJLKRSV-RYUDHWBXSA-N 1 2 260.297 0.041 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC000125878228 389168488 /nfs/dbraw/zinc/16/84/88/389168488.db2.gz WHNVHPDPJLKRSV-RYUDHWBXSA-N 1 2 260.297 0.041 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000329592925 389173557 /nfs/dbraw/zinc/17/35/57/389173557.db2.gz CALNQQUQWUWZIZ-UHFFFAOYSA-N 1 2 277.328 0.141 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC[C@@H]2CCOC2)C1 ZINC000329627778 389178568 /nfs/dbraw/zinc/17/85/68/389178568.db2.gz HALDEBCZYLXXEV-CHWSQXEVSA-N 1 2 284.404 0.162 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[C@@H]2CCOC2)C1 ZINC000329627778 389178570 /nfs/dbraw/zinc/17/85/70/389178570.db2.gz HALDEBCZYLXXEV-CHWSQXEVSA-N 1 2 284.404 0.162 20 30 CCEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000247623766 389241396 /nfs/dbraw/zinc/24/13/96/389241396.db2.gz UCRFRPMOESXSGH-RYUDHWBXSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000247623766 389241398 /nfs/dbraw/zinc/24/13/98/389241398.db2.gz UCRFRPMOESXSGH-RYUDHWBXSA-N 1 2 266.345 0.814 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330592644 389245226 /nfs/dbraw/zinc/24/52/26/389245226.db2.gz WDGATIZGZUVAJT-MCIONIFRSA-N 1 2 282.384 0.541 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330592644 389245228 /nfs/dbraw/zinc/24/52/28/389245228.db2.gz WDGATIZGZUVAJT-MCIONIFRSA-N 1 2 282.384 0.541 20 30 CCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330607280 389245652 /nfs/dbraw/zinc/24/56/52/389245652.db2.gz LJVMZZJEKHABOD-QMMMGPOBSA-N 1 2 283.288 0.343 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330607280 389245653 /nfs/dbraw/zinc/24/56/53/389245653.db2.gz LJVMZZJEKHABOD-QMMMGPOBSA-N 1 2 283.288 0.343 20 30 CCEDLO C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH+]1CCOCC1 ZINC000330620425 389247416 /nfs/dbraw/zinc/24/74/16/389247416.db2.gz KGNPCSNOMOQWSR-LLVKDONJSA-N 1 2 293.371 0.568 20 30 CCEDLO Cc1noc(C)c1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000330620409 389247505 /nfs/dbraw/zinc/24/75/05/389247505.db2.gz KEKNBXYHKQOOSX-NSHDSACASA-N 1 2 283.328 0.289 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000330650090 389249831 /nfs/dbraw/zinc/24/98/31/389249831.db2.gz XBEVMNVDBWCCPZ-WDEREUQCSA-N 1 2 269.345 0.702 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000330650090 389249835 /nfs/dbraw/zinc/24/98/35/389249835.db2.gz XBEVMNVDBWCCPZ-WDEREUQCSA-N 1 2 269.345 0.702 20 30 CCEDLO N#CCNC(=O)C[NH+]1CCC(c2nccs2)CC1 ZINC000330666552 389251091 /nfs/dbraw/zinc/25/10/91/389251091.db2.gz SFANIAFIOXBEPA-UHFFFAOYSA-N 1 2 264.354 0.962 20 30 CCEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)CCCC#N)CC2 ZINC000363706800 389253266 /nfs/dbraw/zinc/25/32/66/389253266.db2.gz HTFHGAIBMWXMAP-UHFFFAOYSA-N 1 2 268.342 0.641 20 30 CCEDLO C=C(C)CN(C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342969643 389256160 /nfs/dbraw/zinc/25/61/60/389256160.db2.gz GTAWUNSHNMYTNR-UHFFFAOYSA-N 1 2 250.302 0.071 20 30 CCEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC(C)(CO)CO ZINC000135853341 389262363 /nfs/dbraw/zinc/26/23/63/389262363.db2.gz GTHHHEJEZLUQTQ-UHFFFAOYSA-N 1 2 291.351 0.419 20 30 CCEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC(C)(CO)CO ZINC000135853341 389262367 /nfs/dbraw/zinc/26/23/67/389262367.db2.gz GTHHHEJEZLUQTQ-UHFFFAOYSA-N 1 2 291.351 0.419 20 30 CCEDLO Cn1cc[nH+]c1CNC(=O)c1cc2n(n1)CCCO2 ZINC000329876075 389207684 /nfs/dbraw/zinc/20/76/84/389207684.db2.gz HKPVAKIXIFCFEE-UHFFFAOYSA-N 1 2 261.285 0.904 20 30 CCEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H](C2CC2)O1 ZINC000329892365 389208654 /nfs/dbraw/zinc/20/86/54/389208654.db2.gz AFYMAWMORMBWCO-MRVWCRGKSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H](C2CC2)O1 ZINC000329892365 389208657 /nfs/dbraw/zinc/20/86/57/389208657.db2.gz AFYMAWMORMBWCO-MRVWCRGKSA-N 1 2 297.399 0.730 20 30 CCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1csc(=O)[nH]1 ZINC000329926360 389211398 /nfs/dbraw/zinc/21/13/98/389211398.db2.gz WDXNBZOLQVFDSU-QMMMGPOBSA-N 1 2 271.342 0.874 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000361522065 389218020 /nfs/dbraw/zinc/21/80/20/389218020.db2.gz MJIVXDMONAQZJX-KGLIPLIRSA-N 1 2 297.399 0.732 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361522065 389218022 /nfs/dbraw/zinc/21/80/22/389218022.db2.gz MJIVXDMONAQZJX-KGLIPLIRSA-N 1 2 297.399 0.732 20 30 CCEDLO C=CCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000342527181 389219904 /nfs/dbraw/zinc/21/99/04/389219904.db2.gz NTJFIZGJHBWPSM-CYBMUJFWSA-N 1 2 295.383 0.002 20 30 CCEDLO C=CCN(Cc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000330366956 389221809 /nfs/dbraw/zinc/22/18/09/389221809.db2.gz HMDWWZXCFKGRNZ-NSHDSACASA-N 1 2 269.370 0.595 20 30 CCEDLO C[C@@H](CNC(=O)NCC(C)(C)C(N)=O)[NH+]1CCOCC1 ZINC000330396801 389224448 /nfs/dbraw/zinc/22/44/48/389224448.db2.gz GFSFXIOWNOQWIE-JTQLQIEISA-N 1 2 286.376 0.772 20 30 CCEDLO N#CCSCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000330396224 389224583 /nfs/dbraw/zinc/22/45/83/389224583.db2.gz KLFHBHRCRSCOJI-GFCCVEGCSA-N 1 2 276.365 0.811 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000330401688 389225313 /nfs/dbraw/zinc/22/53/13/389225313.db2.gz UWWLFFUAHBFZEI-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000330401688 389225315 /nfs/dbraw/zinc/22/53/15/389225315.db2.gz UWWLFFUAHBFZEI-VXGBXAGGSA-N 1 2 286.397 0.282 20 30 CCEDLO COC[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000330407134 389225923 /nfs/dbraw/zinc/22/59/23/389225923.db2.gz IUIVVQGRYZQDDP-MGPQQGTHSA-N 1 2 299.415 0.978 20 30 CCEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000330407981 389225946 /nfs/dbraw/zinc/22/59/46/389225946.db2.gz HHNICCGANQDRNZ-SNVBAGLBSA-N 1 2 285.373 0.331 20 30 CCEDLO C=CCN(CCOC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000362031276 389228538 /nfs/dbraw/zinc/22/85/38/389228538.db2.gz ZEGYOJBODHNLFG-UHFFFAOYSA-N 1 2 293.323 0.690 20 30 CCEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cn1 ZINC000330443340 389230374 /nfs/dbraw/zinc/23/03/74/389230374.db2.gz FTFQHWKHUZKUPX-CYBMUJFWSA-N 1 2 279.340 0.388 20 30 CCEDLO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330456630 389231582 /nfs/dbraw/zinc/23/15/82/389231582.db2.gz FXYCXEQPLGMMMM-NEPJUHHUSA-N 1 2 295.314 0.593 20 30 CCEDLO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330456630 389231583 /nfs/dbraw/zinc/23/15/83/389231583.db2.gz FXYCXEQPLGMMMM-NEPJUHHUSA-N 1 2 295.314 0.593 20 30 CCEDLO C#CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246889410 389232888 /nfs/dbraw/zinc/23/28/88/389232888.db2.gz DPNQCDGQXAOMJZ-RYUDHWBXSA-N 1 2 257.355 0.288 20 30 CCEDLO C#CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246889410 389232892 /nfs/dbraw/zinc/23/28/92/389232892.db2.gz DPNQCDGQXAOMJZ-RYUDHWBXSA-N 1 2 257.355 0.288 20 30 CCEDLO C[C@H](CO)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330467686 389232975 /nfs/dbraw/zinc/23/29/75/389232975.db2.gz JJRCNHIHLGPLOF-NSHDSACASA-N 1 2 280.372 0.894 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000330495280 389235625 /nfs/dbraw/zinc/23/56/25/389235625.db2.gz QRLHUJBAWKZSEF-JSGCOSHPSA-N 1 2 273.336 0.916 20 30 CCEDLO C[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000330495280 389235627 /nfs/dbraw/zinc/23/56/27/389235627.db2.gz QRLHUJBAWKZSEF-JSGCOSHPSA-N 1 2 273.336 0.916 20 30 CCEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525964 389238500 /nfs/dbraw/zinc/23/85/00/389238500.db2.gz KLNXPJMZPQAPCZ-QWHCGFSZSA-N 1 2 297.399 0.873 20 30 CCEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000330525964 389238503 /nfs/dbraw/zinc/23/85/03/389238503.db2.gz KLNXPJMZPQAPCZ-QWHCGFSZSA-N 1 2 297.399 0.873 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000330528182 389238652 /nfs/dbraw/zinc/23/86/52/389238652.db2.gz LQURJEUVAUSBGO-CHWSQXEVSA-N 1 2 277.299 0.573 20 30 CCEDLO N#CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000330528182 389238653 /nfs/dbraw/zinc/23/86/53/389238653.db2.gz LQURJEUVAUSBGO-CHWSQXEVSA-N 1 2 277.299 0.573 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NCC#N ZINC000330543234 389239451 /nfs/dbraw/zinc/23/94/51/389239451.db2.gz AWNCTWDROYBAGG-JHJVBQTASA-N 1 2 281.356 0.142 20 30 CCEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NCC#N ZINC000330543234 389239452 /nfs/dbraw/zinc/23/94/52/389239452.db2.gz AWNCTWDROYBAGG-JHJVBQTASA-N 1 2 281.356 0.142 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154178022 389311374 /nfs/dbraw/zinc/31/13/74/389311374.db2.gz GLJASAAOKWPHSR-UHFFFAOYSA-N 1 2 290.367 0.897 20 30 CCEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154178022 389311377 /nfs/dbraw/zinc/31/13/77/389311377.db2.gz GLJASAAOKWPHSR-UHFFFAOYSA-N 1 2 290.367 0.897 20 30 CCEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000345718934 389313044 /nfs/dbraw/zinc/31/30/44/389313044.db2.gz FFUVOUUPKKCATJ-LBPRGKRZSA-N 1 2 290.371 0.678 20 30 CCEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000345718934 389313047 /nfs/dbraw/zinc/31/30/47/389313047.db2.gz FFUVOUUPKKCATJ-LBPRGKRZSA-N 1 2 290.371 0.678 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000264228433 389314176 /nfs/dbraw/zinc/31/41/76/389314176.db2.gz ZYJZYJHYMKNUNQ-CYBMUJFWSA-N 1 2 279.384 0.316 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000264228433 389314178 /nfs/dbraw/zinc/31/41/78/389314178.db2.gz ZYJZYJHYMKNUNQ-CYBMUJFWSA-N 1 2 279.384 0.316 20 30 CCEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000345784883 389315232 /nfs/dbraw/zinc/31/52/32/389315232.db2.gz PJWKRQGNVZSNNW-ZIAGYGMSSA-N 1 2 282.384 0.758 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000345915103 389318312 /nfs/dbraw/zinc/31/83/12/389318312.db2.gz WMVJJZLTLYKFFU-ZNMIVQPWSA-N 1 2 295.427 0.720 20 30 CCEDLO C=C(C)C[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156298920 389325304 /nfs/dbraw/zinc/32/53/04/389325304.db2.gz SQEKKGYVJFJTRK-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C=C(C)C[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000156298920 389325306 /nfs/dbraw/zinc/32/53/06/389325306.db2.gz SQEKKGYVJFJTRK-WDEREUQCSA-N 1 2 255.314 0.989 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#N)cc1 ZINC000264430345 389328262 /nfs/dbraw/zinc/32/82/62/389328262.db2.gz MAAJWHQTSVZCOW-CYBMUJFWSA-N 1 2 286.379 0.924 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000157665743 389332915 /nfs/dbraw/zinc/33/29/15/389332915.db2.gz QWGHEMYDFGQYOI-MNOVXSKESA-N 1 2 266.345 0.868 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000157665743 389332918 /nfs/dbraw/zinc/33/29/18/389332918.db2.gz QWGHEMYDFGQYOI-MNOVXSKESA-N 1 2 266.345 0.868 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330992508 389275583 /nfs/dbraw/zinc/27/55/83/389275583.db2.gz SWTWMDXARAUNOF-QJPTWQEYSA-N 1 2 296.371 0.619 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330992508 389275586 /nfs/dbraw/zinc/27/55/86/389275586.db2.gz SWTWMDXARAUNOF-QJPTWQEYSA-N 1 2 296.371 0.619 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330997585 389277304 /nfs/dbraw/zinc/27/73/04/389277304.db2.gz VDJCTKHCFNVDDQ-VGMNWLOBSA-N 1 2 286.332 0.050 20 30 CCEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330997585 389277305 /nfs/dbraw/zinc/27/73/05/389277305.db2.gz VDJCTKHCFNVDDQ-VGMNWLOBSA-N 1 2 286.332 0.050 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464126 389302067 /nfs/dbraw/zinc/30/20/67/389302067.db2.gz TWQILURQLYXISM-DGCLKSJQSA-N 1 2 280.372 0.651 20 30 CCEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366464126 389302069 /nfs/dbraw/zinc/30/20/69/389302069.db2.gz TWQILURQLYXISM-DGCLKSJQSA-N 1 2 280.372 0.651 20 30 CCEDLO C=CCNC(=O)Cc1noc(C[NH+](CC)CC)n1 ZINC000346956098 389342576 /nfs/dbraw/zinc/34/25/76/389342576.db2.gz CEPRFQUOWCRQKU-UHFFFAOYSA-N 1 2 252.318 0.756 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCC2)CC[N@@H+]1CCO ZINC000408372756 389342775 /nfs/dbraw/zinc/34/27/75/389342775.db2.gz DJZVWKIMSBHDRK-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO C[C@H]1CN(C(=O)C2(C#N)CCC2)CC[N@H+]1CCO ZINC000408372756 389342778 /nfs/dbraw/zinc/34/27/78/389342778.db2.gz DJZVWKIMSBHDRK-NSHDSACASA-N 1 2 251.330 0.205 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349106556 389404939 /nfs/dbraw/zinc/40/49/39/389404939.db2.gz YOPQGYNEHNKPIN-QWHCGFSZSA-N 1 2 295.362 0.818 20 30 CCEDLO C=CCNC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349106556 389404942 /nfs/dbraw/zinc/40/49/42/389404942.db2.gz YOPQGYNEHNKPIN-QWHCGFSZSA-N 1 2 295.362 0.818 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000408402188 389346927 /nfs/dbraw/zinc/34/69/27/389346927.db2.gz GYZXEASEZZXHAW-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000408402188 389346931 /nfs/dbraw/zinc/34/69/31/389346931.db2.gz GYZXEASEZZXHAW-NEPJUHHUSA-N 1 2 276.402 0.279 20 30 CCEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348098479 389365264 /nfs/dbraw/zinc/36/52/64/389365264.db2.gz TVCIPBWYGMCWEC-SSDOTTSWSA-N 1 2 267.289 0.040 20 30 CCEDLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373259843 389468121 /nfs/dbraw/zinc/46/81/21/389468121.db2.gz NGIAQWRJHSKMFY-CQSZACIVSA-N 1 2 296.367 0.930 20 30 CCEDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373259843 389468123 /nfs/dbraw/zinc/46/81/23/389468123.db2.gz NGIAQWRJHSKMFY-CQSZACIVSA-N 1 2 296.367 0.930 20 30 CCEDLO N#CCN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000373378149 389478503 /nfs/dbraw/zinc/47/85/03/389478503.db2.gz REZHXVFNOCKBJX-LLVKDONJSA-N 1 2 273.340 0.497 20 30 CCEDLO C=C(Br)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000274078247 389482958 /nfs/dbraw/zinc/48/29/58/389482958.db2.gz SBMONQNNZHFWCL-SECBINFHSA-N 1 2 260.135 0.952 20 30 CCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000349805297 389438651 /nfs/dbraw/zinc/43/86/51/389438651.db2.gz WWMUPXWGFSTBED-UHFFFAOYSA-N 1 2 276.321 0.770 20 30 CCEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@]3(CCSC3)C2)C1=O ZINC000335408112 389553896 /nfs/dbraw/zinc/55/38/96/389553896.db2.gz MVZZWSSYVBCDAC-JSGCOSHPSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@]3(CCSC3)C2)C1=O ZINC000335408112 389553898 /nfs/dbraw/zinc/55/38/98/389553898.db2.gz MVZZWSSYVBCDAC-JSGCOSHPSA-N 1 2 282.409 0.981 20 30 CCEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C)CC2)C1=O ZINC000281247886 389612267 /nfs/dbraw/zinc/61/22/67/389612267.db2.gz GRJMGRJROFOQHF-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C)CC2)C1=O ZINC000281247886 389612271 /nfs/dbraw/zinc/61/22/71/389612271.db2.gz GRJMGRJROFOQHF-CQSZACIVSA-N 1 2 293.411 0.964 20 30 CCEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)Cn1cc[nH+]c1 ZINC000414462300 389616962 /nfs/dbraw/zinc/61/69/62/389616962.db2.gz UEYNFNYADBEZEU-SNVBAGLBSA-N 1 2 294.336 0.962 20 30 CCEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(Cl)n1C ZINC000281632174 389620342 /nfs/dbraw/zinc/62/03/42/389620342.db2.gz IJNRXIWAYAEUJY-UHFFFAOYSA-N 1 2 277.777 0.764 20 30 CCEDLO Cn1cc(N2CC[N@H+](CCCCC#N)CC2=O)cn1 ZINC000177444632 389583773 /nfs/dbraw/zinc/58/37/73/389583773.db2.gz FZILIEVHEWIIFM-UHFFFAOYSA-N 1 2 261.329 0.763 20 30 CCEDLO Cn1cc(N2CC[N@@H+](CCCCC#N)CC2=O)cn1 ZINC000177444632 389583778 /nfs/dbraw/zinc/58/37/78/389583778.db2.gz FZILIEVHEWIIFM-UHFFFAOYSA-N 1 2 261.329 0.763 20 30 CCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)nc1 ZINC000413963950 389586803 /nfs/dbraw/zinc/58/68/03/389586803.db2.gz DFNCKYZJZCXJQN-UHFFFAOYSA-N 1 2 288.351 0.794 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000351944528 389721458 /nfs/dbraw/zinc/72/14/58/389721458.db2.gz LRZIIBBCQNFJFE-WPRPVWTQSA-N 1 2 265.338 0.871 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000351944528 389721459 /nfs/dbraw/zinc/72/14/59/389721459.db2.gz LRZIIBBCQNFJFE-WPRPVWTQSA-N 1 2 265.338 0.871 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000425938604 389661710 /nfs/dbraw/zinc/66/17/10/389661710.db2.gz AMYLSDFHCODWPD-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000425938604 389661712 /nfs/dbraw/zinc/66/17/12/389661712.db2.gz AMYLSDFHCODWPD-CQSZACIVSA-N 1 2 299.415 0.989 20 30 CCEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]1(C#N)CC1(C)C ZINC000427886164 389683698 /nfs/dbraw/zinc/68/36/98/389683698.db2.gz OIMJSIBIVVMMNH-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]1(C#N)CC1(C)C ZINC000427886164 389683700 /nfs/dbraw/zinc/68/37/00/389683700.db2.gz OIMJSIBIVVMMNH-AWEZNQCLSA-N 1 2 280.372 0.251 20 30 CCEDLO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000181307086 389684258 /nfs/dbraw/zinc/68/42/58/389684258.db2.gz SBPSQCROHTVMSY-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000181307086 389684260 /nfs/dbraw/zinc/68/42/60/389684260.db2.gz SBPSQCROHTVMSY-MNOVXSKESA-N 1 2 274.386 0.186 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)C(F)(F)F ZINC000181729756 389693004 /nfs/dbraw/zinc/69/30/04/389693004.db2.gz OOKRWRLYHDIYPH-NSHDSACASA-N 1 2 295.305 0.457 20 30 CCEDLO C#CCOCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376221027 389731153 /nfs/dbraw/zinc/73/11/53/389731153.db2.gz LGMBVPRVPZIIQA-UONOGXRCSA-N 1 2 280.368 0.348 20 30 CCEDLO C=CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376419252 389735227 /nfs/dbraw/zinc/73/52/27/389735227.db2.gz FEOFIZLQCSAJMH-ZIAGYGMSSA-N 1 2 297.399 0.694 20 30 CCEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C(N)=O)n2c1 ZINC000179579524 260055858 /nfs/dbraw/zinc/05/58/58/260055858.db2.gz MDMSLEQKLXNZTL-LBPRGKRZSA-N 1 2 269.308 0.656 20 30 CCEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3C(N)=O)n2c1 ZINC000179579524 260055860 /nfs/dbraw/zinc/05/58/60/260055860.db2.gz MDMSLEQKLXNZTL-LBPRGKRZSA-N 1 2 269.308 0.656 20 30 CCEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451610 389813135 /nfs/dbraw/zinc/81/31/35/389813135.db2.gz YGKXEPGIGQRBEE-NWDGAFQWSA-N 1 2 283.347 0.998 20 30 CCEDLO N#CC1(F)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000352469445 389816401 /nfs/dbraw/zinc/81/64/01/389816401.db2.gz XODABVKYBCGULF-UHFFFAOYSA-N 1 2 255.293 0.173 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116278 389827989 /nfs/dbraw/zinc/82/79/89/389827989.db2.gz VLJVKYKSKZONHX-NXEZZACHSA-N 1 2 283.353 0.864 20 30 CCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116278 389827993 /nfs/dbraw/zinc/82/79/93/389827993.db2.gz VLJVKYKSKZONHX-NXEZZACHSA-N 1 2 283.353 0.864 20 30 CCEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000435428677 389956947 /nfs/dbraw/zinc/95/69/47/389956947.db2.gz TUFKCYBAMFPUCI-UHFFFAOYSA-N 1 2 290.429 0.935 20 30 CCEDLO C=C(C)CS(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000435420728 389957007 /nfs/dbraw/zinc/95/70/07/389957007.db2.gz FRMQGXNTAKXFJE-GFCCVEGCSA-N 1 2 276.402 0.545 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943526 390039237 /nfs/dbraw/zinc/03/92/37/390039237.db2.gz RDQIJBRCZJOJLQ-STQMWFEESA-N 1 2 297.399 0.466 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943526 390039239 /nfs/dbraw/zinc/03/92/39/390039239.db2.gz RDQIJBRCZJOJLQ-STQMWFEESA-N 1 2 297.399 0.466 20 30 CCEDLO Cc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C#N ZINC000488236281 390092343 /nfs/dbraw/zinc/09/23/43/390092343.db2.gz WXZFZMULTYNODW-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO Cc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C#N ZINC000488236281 390092344 /nfs/dbraw/zinc/09/23/44/390092344.db2.gz WXZFZMULTYNODW-CQSZACIVSA-N 1 2 298.346 0.009 20 30 CCEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000491374756 390112657 /nfs/dbraw/zinc/11/26/57/390112657.db2.gz SPHONYDGCIEWFI-VXGBXAGGSA-N 1 2 262.313 0.315 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000491421005 390113205 /nfs/dbraw/zinc/11/32/05/390113205.db2.gz ZCRMZHQBXOUFKR-WFASDCNBSA-N 1 2 295.358 0.018 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000491421005 390113206 /nfs/dbraw/zinc/11/32/06/390113206.db2.gz ZCRMZHQBXOUFKR-WFASDCNBSA-N 1 2 295.358 0.018 20 30 CCEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000491647178 390115525 /nfs/dbraw/zinc/11/55/25/390115525.db2.gz WVBBCHRSNYMGAB-JOYOIKCWSA-N 1 2 267.354 0.325 20 30 CCEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000491647178 390115526 /nfs/dbraw/zinc/11/55/26/390115526.db2.gz WVBBCHRSNYMGAB-JOYOIKCWSA-N 1 2 267.354 0.325 20 30 CCEDLO COC(=O)C[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579361359 390165885 /nfs/dbraw/zinc/16/58/85/390165885.db2.gz SUWIJHGQMOXBAX-MFKMUULPSA-N 1 2 269.345 0.536 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000494660047 390190779 /nfs/dbraw/zinc/19/07/79/390190779.db2.gz DPPTXFXSUBUFAM-STQMWFEESA-N 1 2 271.320 0.541 20 30 CCEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000494660047 390190781 /nfs/dbraw/zinc/19/07/81/390190781.db2.gz DPPTXFXSUBUFAM-STQMWFEESA-N 1 2 271.320 0.541 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494483644 390176247 /nfs/dbraw/zinc/17/62/47/390176247.db2.gz NYQWGMNBABXRKZ-GFCCVEGCSA-N 1 2 297.399 0.246 20 30 CCEDLO CN1CCC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000546919270 390364274 /nfs/dbraw/zinc/36/42/74/390364274.db2.gz NJIORDDDKNZQNN-AWEZNQCLSA-N 1 2 299.378 0.696 20 30 CCEDLO N#Cc1cnn2cc(C[N@@H+]3CCN4C(=O)OC[C@@H]4C3)cnc12 ZINC000497030667 390405738 /nfs/dbraw/zinc/40/57/38/390405738.db2.gz VKFCHIVPMDPRKE-LBPRGKRZSA-N 1 2 298.306 0.237 20 30 CCEDLO N#Cc1cnn2cc(C[N@H+]3CCN4C(=O)OC[C@@H]4C3)cnc12 ZINC000497030667 390405742 /nfs/dbraw/zinc/40/57/42/390405742.db2.gz VKFCHIVPMDPRKE-LBPRGKRZSA-N 1 2 298.306 0.237 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000645257502 390397674 /nfs/dbraw/zinc/39/76/74/390397674.db2.gz MKSNQFINHLZZLA-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000645257502 390397676 /nfs/dbraw/zinc/39/76/76/390397676.db2.gz MKSNQFINHLZZLA-ZDUSSCGKSA-N 1 2 297.399 0.171 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000645262271 390398795 /nfs/dbraw/zinc/39/87/95/390398795.db2.gz VNUFDKFZQDNEKO-ZDUSSCGKSA-N 1 2 250.342 0.579 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000645262271 390398797 /nfs/dbraw/zinc/39/87/97/390398797.db2.gz VNUFDKFZQDNEKO-ZDUSSCGKSA-N 1 2 250.342 0.579 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000562100877 390488286 /nfs/dbraw/zinc/48/82/86/390488286.db2.gz VPAKEVUPQQXCSA-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000562100877 390488290 /nfs/dbraw/zinc/48/82/90/390488290.db2.gz VPAKEVUPQQXCSA-WCQYABFASA-N 1 2 256.346 0.150 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC[C@H](O)C1 ZINC000562543140 390489762 /nfs/dbraw/zinc/48/97/62/390489762.db2.gz LWCNUXUJGCYOSV-QWHCGFSZSA-N 1 2 295.383 0.411 20 30 CCEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@H](O)C1 ZINC000562543140 390489766 /nfs/dbraw/zinc/48/97/66/390489766.db2.gz LWCNUXUJGCYOSV-QWHCGFSZSA-N 1 2 295.383 0.411 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000564735997 390496571 /nfs/dbraw/zinc/49/65/71/390496571.db2.gz LNCYASPUMKQRLM-VXGBXAGGSA-N 1 2 283.372 0.972 20 30 CCEDLO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000565050570 390499740 /nfs/dbraw/zinc/49/97/40/390499740.db2.gz GGHJWVBETPJBHX-WDMOLILDSA-N 1 2 281.356 0.536 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000649181576 390511016 /nfs/dbraw/zinc/51/10/16/390511016.db2.gz DIXYLYDGJSIGIQ-KFWWJZLASA-N 1 2 296.411 0.766 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000649181576 390511019 /nfs/dbraw/zinc/51/10/19/390511019.db2.gz DIXYLYDGJSIGIQ-KFWWJZLASA-N 1 2 296.411 0.766 20 30 CCEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000649247876 390536613 /nfs/dbraw/zinc/53/66/13/390536613.db2.gz FWWMALMUVNTYSQ-AWEZNQCLSA-N 1 2 277.368 0.720 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001031 390619471 /nfs/dbraw/zinc/61/94/71/390619471.db2.gz CYJMOARAHAQRHB-SBKAZYGRSA-N 1 2 291.380 0.800 20 30 CCEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000522001031 390619473 /nfs/dbraw/zinc/61/94/73/390619473.db2.gz CYJMOARAHAQRHB-SBKAZYGRSA-N 1 2 291.380 0.800 20 30 CCEDLO C=CCOC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000568047655 390712396 /nfs/dbraw/zinc/71/23/96/390712396.db2.gz RRBJBFPOEXUPHB-RYUDHWBXSA-N 1 2 295.339 0.695 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000569072970 390715512 /nfs/dbraw/zinc/71/55/12/390715512.db2.gz DXJAHRCEQAHNGP-XQQFMLRXSA-N 1 2 283.372 0.350 20 30 CCEDLO CC(C)N1CC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528438182 390744212 /nfs/dbraw/zinc/74/42/12/390744212.db2.gz AWAJOLWRYKFWAE-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO CC(C)N1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528438182 390744214 /nfs/dbraw/zinc/74/42/14/390744214.db2.gz AWAJOLWRYKFWAE-GFCCVEGCSA-N 1 2 265.357 0.594 20 30 CCEDLO CCN1CC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528447206 390745187 /nfs/dbraw/zinc/74/51/87/390745187.db2.gz XTXSBCXNMCISOL-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000528447206 390745189 /nfs/dbraw/zinc/74/51/89/390745189.db2.gz XTXSBCXNMCISOL-LLVKDONJSA-N 1 2 251.330 0.205 20 30 CCEDLO CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000646952728 390747906 /nfs/dbraw/zinc/74/79/06/390747906.db2.gz HKQALRVERKTVTM-GFCCVEGCSA-N 1 2 289.335 0.527 20 30 CCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531391529 390878196 /nfs/dbraw/zinc/87/81/96/390878196.db2.gz ACCXOUJLJPOXJA-HNNXBMFYSA-N 1 2 286.379 0.463 20 30 CCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531391529 390878199 /nfs/dbraw/zinc/87/81/99/390878199.db2.gz ACCXOUJLJPOXJA-HNNXBMFYSA-N 1 2 286.379 0.463 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccc(C#N)c3)C[C@H]21 ZINC000532124271 390878701 /nfs/dbraw/zinc/87/87/01/390878701.db2.gz UKKBIEDDTWZWLK-CABCVRRESA-N 1 2 285.347 0.642 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3cccc(C#N)c3)C[C@H]21 ZINC000532124271 390878703 /nfs/dbraw/zinc/87/87/03/390878703.db2.gz UKKBIEDDTWZWLK-CABCVRRESA-N 1 2 285.347 0.642 20 30 CCEDLO COC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330202773 533371317 /nfs/dbraw/zinc/37/13/17/533371317.db2.gz ZTIFQVDCQFQCAH-NEPJUHHUSA-N 1 2 294.355 0.459 20 30 CCEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)[C@H](C)C(N)=O ZINC000191331868 130221453 /nfs/dbraw/zinc/22/14/53/130221453.db2.gz GACRLHLSAAIZNF-SNVBAGLBSA-N 1 2 264.329 0.219 20 30 CCEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)C(N)=O ZINC000191331868 130221454 /nfs/dbraw/zinc/22/14/54/130221454.db2.gz GACRLHLSAAIZNF-SNVBAGLBSA-N 1 2 264.329 0.219 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268408540 132004572 /nfs/dbraw/zinc/00/45/72/132004572.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268408540 132004574 /nfs/dbraw/zinc/00/45/74/132004574.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268408540 132004576 /nfs/dbraw/zinc/00/45/76/132004576.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268408540 132004577 /nfs/dbraw/zinc/00/45/77/132004577.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268408540 132004579 /nfs/dbraw/zinc/00/45/79/132004579.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268408540 132004581 /nfs/dbraw/zinc/00/45/81/132004581.db2.gz ACLQYBXWBDDAMI-ZYHUDNBSSA-N 1 2 277.372 0.983 20 30 CCEDLO N#CCC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000575116993 335067986 /nfs/dbraw/zinc/06/79/86/335067986.db2.gz VPJVDBRLFUVSBZ-UHFFFAOYSA-N 1 2 298.324 0.376 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000356941328 144045115 /nfs/dbraw/zinc/04/51/15/144045115.db2.gz WHNVHPDPJLKRSV-NEPJUHHUSA-N 1 2 260.297 0.041 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000356941328 144045116 /nfs/dbraw/zinc/04/51/16/144045116.db2.gz WHNVHPDPJLKRSV-NEPJUHHUSA-N 1 2 260.297 0.041 20 30 CCEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000356941330 144045427 /nfs/dbraw/zinc/04/54/27/144045427.db2.gz WHNVHPDPJLKRSV-VXGBXAGGSA-N 1 2 260.297 0.041 20 30 CCEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000356941330 144045428 /nfs/dbraw/zinc/04/54/28/144045428.db2.gz WHNVHPDPJLKRSV-VXGBXAGGSA-N 1 2 260.297 0.041 20 30 CCEDLO CCC#C[C@H](C)[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000649552929 397633979 /nfs/dbraw/zinc/63/39/79/397633979.db2.gz KTUUTQCRMKNHIW-ZDUSSCGKSA-N 1 2 287.429 0.649 20 30 CCEDLO CO[C@H]1C[C@@H](CO)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329177556 286095335 /nfs/dbraw/zinc/09/53/35/286095335.db2.gz MANLITVAVQYLPF-WOPDTQHZSA-N 1 2 294.355 0.194 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000553175447 286183450 /nfs/dbraw/zinc/18/34/50/286183450.db2.gz ITGZNMFRJJWEIA-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000553175447 286183452 /nfs/dbraw/zinc/18/34/52/286183452.db2.gz ITGZNMFRJJWEIA-LBPRGKRZSA-N 1 2 297.355 0.821 20 30 CCEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCn1cnc(C#N)n1 ZINC000285268935 196237420 /nfs/dbraw/zinc/23/74/20/196237420.db2.gz YCVOAVRBBARIGT-LLVKDONJSA-N 1 2 279.344 0.717 20 30 CCEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660881137 414521065 /nfs/dbraw/zinc/52/10/65/414521065.db2.gz GVHLYSOAAHRUJW-NEPJUHHUSA-N 1 2 253.346 0.677 20 30 CCEDLO N#CCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000071140388 176038567 /nfs/dbraw/zinc/03/85/67/176038567.db2.gz UYUFRCRZJHKRAP-UHFFFAOYSA-N 1 2 264.373 0.576 20 30 CCEDLO Cn1cnnc1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329255345 227386821 /nfs/dbraw/zinc/38/68/21/227386821.db2.gz XDNSLMJIGGAQAA-LBPRGKRZSA-N 1 2 293.371 0.915 20 30 CCEDLO Cn1cnnc1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329255345 227386826 /nfs/dbraw/zinc/38/68/26/227386826.db2.gz XDNSLMJIGGAQAA-LBPRGKRZSA-N 1 2 293.371 0.915 20 30 CCEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000329095217 227294429 /nfs/dbraw/zinc/29/44/29/227294429.db2.gz KSYWGLCUMNPJQN-JHJVBQTASA-N 1 2 285.388 0.778 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]1(C)CCCOC1 ZINC000329140979 227323929 /nfs/dbraw/zinc/32/39/29/227323929.db2.gz JWVOOOITVSFFIH-TZMCWYRMSA-N 1 2 285.388 0.780 20 30 CCEDLO Cc1nnc(CNC(=O)C2([NH+]3CCOCC3)CCC2)n1C ZINC000329346098 227458794 /nfs/dbraw/zinc/45/87/94/227458794.db2.gz UZCXDCLJZNEHGW-UHFFFAOYSA-N 1 2 293.371 0.835 20 30 CCEDLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC[S@@](=O)C1 ZINC000330031546 228021727 /nfs/dbraw/zinc/02/17/27/228021727.db2.gz UDZHOUNSSTVXMH-DGIBIBHMSA-N 1 2 282.369 0.518 20 30 CCEDLO COCc1cc(NC(=O)NCC[NH+]2CCOCC2)ncn1 ZINC000330222715 228070765 /nfs/dbraw/zinc/07/07/65/228070765.db2.gz MSDZVSNHSVZWKJ-UHFFFAOYSA-N 1 2 295.343 0.281 20 30 CCEDLO CS(=O)(=O)NCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000352242239 228205277 /nfs/dbraw/zinc/20/52/77/228205277.db2.gz PUDYBZTYFGIQQB-CYBMUJFWSA-N 1 2 298.412 0.691 20 30 CCEDLO C[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C)[NH+]1CCOCC1 ZINC000329757492 545025999 /nfs/dbraw/zinc/02/59/99/545025999.db2.gz MYYXFJZKANHZLF-YRGRVCCFSA-N 1 2 285.388 0.778 20 30 CCEDLO COCC[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000610565458 420494976 /nfs/dbraw/zinc/49/49/76/420494976.db2.gz WTPYYDJBAZVMBC-UHFFFAOYSA-N 1 2 292.343 0.088 20 30 CCEDLO N#CC1(CCC[N@@H+]2CCNC(=O)C2)CCOCC1 ZINC000407956224 260051438 /nfs/dbraw/zinc/05/14/38/260051438.db2.gz JTWRMMWOOCDNJP-UHFFFAOYSA-N 1 2 251.330 0.519 20 30 CCEDLO N#CC1(CCC[N@H+]2CCNC(=O)C2)CCOCC1 ZINC000407956224 260051439 /nfs/dbraw/zinc/05/14/39/260051439.db2.gz JTWRMMWOOCDNJP-UHFFFAOYSA-N 1 2 251.330 0.519 20 30 CCEDLO CS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407987025 260150416 /nfs/dbraw/zinc/15/04/16/260150416.db2.gz BKSBKCFWMMIVBL-WDEREUQCSA-N 1 2 257.359 0.256 20 30 CCEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000299238088 260175077 /nfs/dbraw/zinc/17/50/77/260175077.db2.gz JVGUGQXSDLIGNK-GFCCVEGCSA-N 1 2 263.341 0.425 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357298726 260176194 /nfs/dbraw/zinc/17/61/94/260176194.db2.gz FBRFZEOSVKQKHC-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357298726 260176196 /nfs/dbraw/zinc/17/61/96/260176196.db2.gz FBRFZEOSVKQKHC-STQMWFEESA-N 1 2 294.399 0.547 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCC#N ZINC000071016267 260271018 /nfs/dbraw/zinc/27/10/18/260271018.db2.gz ISSBDDVAQWJYBO-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCC#N ZINC000071016267 260271020 /nfs/dbraw/zinc/27/10/20/260271020.db2.gz ISSBDDVAQWJYBO-JTQLQIEISA-N 1 2 253.302 0.044 20 30 CCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H]1CCCCO1 ZINC000517804317 260307908 /nfs/dbraw/zinc/30/79/08/260307908.db2.gz SHCDPXCBDUZTOS-DGCLKSJQSA-N 1 2 253.346 0.906 20 30 CCEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000408194621 260595116 /nfs/dbraw/zinc/59/51/16/260595116.db2.gz YWYCHWDXXWBRGV-UHFFFAOYSA-N 1 2 251.330 0.471 20 30 CCEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1ccc2c(c1)CCO2 ZINC000158151509 261160039 /nfs/dbraw/zinc/16/00/39/261160039.db2.gz HQDPWDLUKKCEGC-UHFFFAOYSA-N 1 2 289.335 0.785 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248991432 261230784 /nfs/dbraw/zinc/23/07/84/261230784.db2.gz FWHQJAHJXIVMFA-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)COC)n1 ZINC000491815429 262088859 /nfs/dbraw/zinc/08/88/59/262088859.db2.gz ULIPJYZZLNSRMC-ZDUSSCGKSA-N 1 2 265.357 1.000 20 30 CCEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)COC)n1 ZINC000491815429 262088862 /nfs/dbraw/zinc/08/88/62/262088862.db2.gz ULIPJYZZLNSRMC-ZDUSSCGKSA-N 1 2 265.357 1.000 20 30 CCEDLO COC(=O)c1cn([C@H]2CCC[N@H+](CCC#N)C2)nn1 ZINC000364006845 262093280 /nfs/dbraw/zinc/09/32/80/262093280.db2.gz VBVIMJPZSMWSGI-JTQLQIEISA-N 1 2 263.301 0.615 20 30 CCEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](CCC#N)C2)nn1 ZINC000364006845 262093281 /nfs/dbraw/zinc/09/32/81/262093281.db2.gz VBVIMJPZSMWSGI-JTQLQIEISA-N 1 2 263.301 0.615 20 30 CCEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccnc1 ZINC000193627457 262225260 /nfs/dbraw/zinc/22/52/60/262225260.db2.gz BSCDFTJIXROCPI-UHFFFAOYSA-N 1 2 250.302 0.785 20 30 CCEDLO C[C@@H](C#N)C[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000336724315 262384460 /nfs/dbraw/zinc/38/44/60/262384460.db2.gz ZRFHIPFIKGOTGO-VIFPVBQESA-N 1 2 250.302 0.162 20 30 CCEDLO C[C@@H](C#N)C[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000336724315 262384462 /nfs/dbraw/zinc/38/44/62/262384462.db2.gz ZRFHIPFIKGOTGO-VIFPVBQESA-N 1 2 250.302 0.162 20 30 CCEDLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356454920 262663465 /nfs/dbraw/zinc/66/34/65/262663465.db2.gz LTIVYROZEADMAT-UHFFFAOYSA-N 1 2 294.399 0.643 20 30 CCEDLO Cc1nc(CCO[NH+]=C(N)CN2CCOCC2)cs1 ZINC000272380031 263003593 /nfs/dbraw/zinc/00/35/93/263003593.db2.gz DPVSOZCHBCJNCN-UHFFFAOYSA-N 1 2 284.385 0.615 20 30 CCEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1[nH+]ccn1C ZINC000272574039 263006996 /nfs/dbraw/zinc/00/69/96/263006996.db2.gz NJGBLOMQPBXSEE-AWEZNQCLSA-N 1 2 275.356 0.660 20 30 CCEDLO Cc1nc(CC(N)=[NH+]OCc2cnn(C)n2)cs1 ZINC000289396464 263109951 /nfs/dbraw/zinc/10/99/51/263109951.db2.gz NFZYDIZZYZTEEL-UHFFFAOYSA-N 1 2 266.330 0.612 20 30 CCEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000292973657 263136824 /nfs/dbraw/zinc/13/68/24/263136824.db2.gz AUJVXNGQDREBHF-GFCCVEGCSA-N 1 2 268.357 0.645 20 30 CCEDLO CC#CC[N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000292973657 263136825 /nfs/dbraw/zinc/13/68/25/263136825.db2.gz AUJVXNGQDREBHF-GFCCVEGCSA-N 1 2 268.357 0.645 20 30 CCEDLO Cc1[nH]c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c[nH+]1 ZINC000330441695 263952829 /nfs/dbraw/zinc/95/28/29/263952829.db2.gz DTVLDJRWEGKUEU-MRVPVSSYSA-N 1 2 264.285 0.559 20 30 CCEDLO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000330631520 264000125 /nfs/dbraw/zinc/00/01/25/264000125.db2.gz PQHHWEXUHUCBFO-LBPRGKRZSA-N 1 2 297.380 0.484 20 30 CCEDLO CNC(=O)c1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000330631520 264000126 /nfs/dbraw/zinc/00/01/26/264000126.db2.gz PQHHWEXUHUCBFO-LBPRGKRZSA-N 1 2 297.380 0.484 20 30 CCEDLO C=C1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000330704392 264018440 /nfs/dbraw/zinc/01/84/40/264018440.db2.gz MMRGRYIGXBITQZ-LLVKDONJSA-N 1 2 253.346 0.231 20 30 CCEDLO C[C@H](C(=O)N(C)CCC#N)N1CCn2cc[nH+]c2C1 ZINC000330777828 264035157 /nfs/dbraw/zinc/03/51/57/264035157.db2.gz KOIVSQLLTOJLIN-LLVKDONJSA-N 1 2 261.329 0.459 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)N1CCn2cc[nH+]c2C1 ZINC000330777829 264035364 /nfs/dbraw/zinc/03/53/64/264035364.db2.gz KOIVSQLLTOJLIN-NSHDSACASA-N 1 2 261.329 0.459 20 30 CCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCCC#N)C1 ZINC000330829828 264049939 /nfs/dbraw/zinc/04/99/39/264049939.db2.gz IOSARPKBTZRZGF-LLVKDONJSA-N 1 2 253.350 0.040 20 30 CCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCC#N)C1 ZINC000330829828 264049942 /nfs/dbraw/zinc/04/99/42/264049942.db2.gz IOSARPKBTZRZGF-LLVKDONJSA-N 1 2 253.350 0.040 20 30 CCEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(C)CCC#N ZINC000330899284 264079023 /nfs/dbraw/zinc/07/90/23/264079023.db2.gz PUHKDMLRLYLXEC-LLVKDONJSA-N 1 2 290.371 0.465 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000330957878 264088292 /nfs/dbraw/zinc/08/82/92/264088292.db2.gz WGYOSYCITPYPPG-VHSXEESVSA-N 1 2 292.343 0.011 20 30 CCEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000330957878 264088294 /nfs/dbraw/zinc/08/82/94/264088294.db2.gz WGYOSYCITPYPPG-VHSXEESVSA-N 1 2 292.343 0.011 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=CCOCC1 ZINC000330971442 264092574 /nfs/dbraw/zinc/09/25/74/264092574.db2.gz JWTHYYMJHZBEJH-UHFFFAOYSA-N 1 2 293.367 0.408 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330972624 264100122 /nfs/dbraw/zinc/10/01/22/264100122.db2.gz NDFVLVAKQHJFFF-VWYCJHECSA-N 1 2 282.344 0.372 20 30 CCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330972624 264100125 /nfs/dbraw/zinc/10/01/25/264100125.db2.gz NDFVLVAKQHJFFF-VWYCJHECSA-N 1 2 282.344 0.372 20 30 CCEDLO COC(=O)c1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c[nH]1 ZINC000331188848 264157054 /nfs/dbraw/zinc/15/70/54/264157054.db2.gz KKVXDSCKITWNTM-JTQLQIEISA-N 1 2 281.312 0.437 20 30 CCEDLO COC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c[nH]1 ZINC000331188848 264157056 /nfs/dbraw/zinc/15/70/56/264157056.db2.gz KKVXDSCKITWNTM-JTQLQIEISA-N 1 2 281.312 0.437 20 30 CCEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000331217383 264165013 /nfs/dbraw/zinc/16/50/13/264165013.db2.gz QMAFSCGEJQWFMB-VHSXEESVSA-N 1 2 280.328 0.765 20 30 CCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C#N)CCCC1 ZINC000331236403 264175495 /nfs/dbraw/zinc/17/54/95/264175495.db2.gz KQGUNHYLNCGBQU-CYBMUJFWSA-N 1 2 295.383 0.222 20 30 CCEDLO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1O ZINC000331246307 264179308 /nfs/dbraw/zinc/17/93/08/264179308.db2.gz UUYNCQITDWMIPL-GFCCVEGCSA-N 1 2 294.351 0.698 20 30 CCEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCNC1=O ZINC000331309367 264186221 /nfs/dbraw/zinc/18/62/21/264186221.db2.gz UECZRCRVVWGZLQ-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCNC1=O ZINC000331309367 264186222 /nfs/dbraw/zinc/18/62/22/264186222.db2.gz UECZRCRVVWGZLQ-RISCZKNCSA-N 1 2 280.372 0.251 20 30 CCEDLO CO[C@H](C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000425422437 264312802 /nfs/dbraw/zinc/31/28/02/264312802.db2.gz NJMIVRJCFNJNCW-OAHLLOKOSA-N 1 2 281.400 0.959 20 30 CCEDLO CO[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000425422437 264312804 /nfs/dbraw/zinc/31/28/04/264312804.db2.gz NJMIVRJCFNJNCW-OAHLLOKOSA-N 1 2 281.400 0.959 20 30 CCEDLO CO[C@H](CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000425422437 264312806 /nfs/dbraw/zinc/31/28/06/264312806.db2.gz NJMIVRJCFNJNCW-OAHLLOKOSA-N 1 2 281.400 0.959 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132259529 264385882 /nfs/dbraw/zinc/38/58/82/264385882.db2.gz VWADQQBUNWCGDQ-KGLIPLIRSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132259529 264385884 /nfs/dbraw/zinc/38/58/84/264385884.db2.gz VWADQQBUNWCGDQ-KGLIPLIRSA-N 1 2 291.395 0.930 20 30 CCEDLO C=CCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284047324 264523816 /nfs/dbraw/zinc/52/38/16/264523816.db2.gz RPKWLKGWMHADAB-UHFFFAOYSA-N 1 2 250.302 0.082 20 30 CCEDLO C#CCN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000292342703 264866299 /nfs/dbraw/zinc/86/62/99/264866299.db2.gz JJGVDNDUNCDJEF-UHFFFAOYSA-N 1 2 288.351 0.693 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CCC1 ZINC000525886264 265034846 /nfs/dbraw/zinc/03/48/46/265034846.db2.gz OKJZFKMYVXOVMT-CQSZACIVSA-N 1 2 279.340 0.040 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CCC1 ZINC000525886264 265034849 /nfs/dbraw/zinc/03/48/49/265034849.db2.gz OKJZFKMYVXOVMT-CQSZACIVSA-N 1 2 279.340 0.040 20 30 CCEDLO N#CCCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000360319566 266704582 /nfs/dbraw/zinc/70/45/82/266704582.db2.gz YJNZOWNYXIRLIN-CQSZACIVSA-N 1 2 295.383 0.630 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000367708735 267111948 /nfs/dbraw/zinc/11/19/48/267111948.db2.gz RJQMBVJHXIOPNQ-AAEUAGOBSA-N 1 2 295.383 0.888 20 30 CCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000367708735 267111951 /nfs/dbraw/zinc/11/19/51/267111951.db2.gz RJQMBVJHXIOPNQ-AAEUAGOBSA-N 1 2 295.383 0.888 20 30 CCEDLO C#CCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000368620462 267191115 /nfs/dbraw/zinc/19/11/15/267191115.db2.gz ZQMPPMOVKCQROH-ZIAGYGMSSA-N 1 2 279.384 0.904 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060970 267218860 /nfs/dbraw/zinc/21/88/60/267218860.db2.gz CWJFTZUMZQTMTF-GFCCVEGCSA-N 1 2 265.357 0.279 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060970 267218864 /nfs/dbraw/zinc/21/88/64/267218864.db2.gz CWJFTZUMZQTMTF-GFCCVEGCSA-N 1 2 265.357 0.279 20 30 CCEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000369195833 267225200 /nfs/dbraw/zinc/22/52/00/267225200.db2.gz WHKRNCZRRSYIGA-KGLIPLIRSA-N 1 2 279.384 0.180 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369293617 267232467 /nfs/dbraw/zinc/23/24/67/267232467.db2.gz LXASJIBZDBXANQ-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369293617 267232469 /nfs/dbraw/zinc/23/24/69/267232469.db2.gz LXASJIBZDBXANQ-WCQYABFASA-N 1 2 254.330 0.168 20 30 CCEDLO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c(C#N)cn1 ZINC000399507947 267300278 /nfs/dbraw/zinc/30/02/78/267300278.db2.gz LYDOJTFCDDLRJS-CYBMUJFWSA-N 1 2 257.341 0.095 20 30 CCEDLO C#CCC(CC#C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376875986 268026488 /nfs/dbraw/zinc/02/64/88/268026488.db2.gz VCKJYLIPPBOMDF-OAHLLOKOSA-N 1 2 274.364 0.582 20 30 CCEDLO CCC(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000377015621 268040513 /nfs/dbraw/zinc/04/05/13/268040513.db2.gz SKGCIQLWTLPIAU-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO CCC(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000377015621 268040516 /nfs/dbraw/zinc/04/05/16/268040516.db2.gz SKGCIQLWTLPIAU-UHFFFAOYSA-N 1 2 292.383 0.493 20 30 CCEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000152876297 277130754 /nfs/dbraw/zinc/13/07/54/277130754.db2.gz DZMRRBVPBGNLBS-KBPBESRZSA-N 1 2 271.320 0.713 20 30 CCEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000152876297 277130756 /nfs/dbraw/zinc/13/07/56/277130756.db2.gz DZMRRBVPBGNLBS-KBPBESRZSA-N 1 2 271.320 0.713 20 30 CCEDLO Cc1nc(N)c(CNC(=O)c2cc(C#N)cn2C)c[nH+]1 ZINC000570913475 327633875 /nfs/dbraw/zinc/63/38/75/327633875.db2.gz CGIPKGCLLHIBNO-UHFFFAOYSA-N 1 2 270.296 0.338 20 30 CCEDLO C#CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000364689164 327888288 /nfs/dbraw/zinc/88/82/88/327888288.db2.gz WAXMJKOWEJLTIY-UHFFFAOYSA-N 1 2 250.342 0.771 20 30 CCEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000563364616 328059350 /nfs/dbraw/zinc/05/93/50/328059350.db2.gz HQTKKSWJUBNCLF-LLVKDONJSA-N 1 2 266.345 0.007 20 30 CCEDLO Cc1nc2[nH]ccc2c(N2CCN(C(=O)CC#N)CC2)[nH+]1 ZINC000563423373 328064097 /nfs/dbraw/zinc/06/40/97/328064097.db2.gz FUQMZHABYDFUDA-UHFFFAOYSA-N 1 2 284.323 0.829 20 30 CCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCCCC#N ZINC000171689737 329078210 /nfs/dbraw/zinc/07/82/10/329078210.db2.gz MXCKOTFIAVXNOG-UHFFFAOYSA-N 1 2 268.361 0.654 20 30 CCEDLO C#CCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000292935331 328273972 /nfs/dbraw/zinc/27/39/72/328273972.db2.gz KPOYWKGVESBNOX-GFCCVEGCSA-N 1 2 258.325 0.935 20 30 CCEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000048580913 328317356 /nfs/dbraw/zinc/31/73/56/328317356.db2.gz VICJBPDUJTUSLE-SSDOTTSWSA-N 1 2 270.314 0.621 20 30 CCEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000048580913 328317357 /nfs/dbraw/zinc/31/73/57/328317357.db2.gz VICJBPDUJTUSLE-SSDOTTSWSA-N 1 2 270.314 0.621 20 30 CCEDLO C[C@@H]1CC[N@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000561247344 327379047 /nfs/dbraw/zinc/37/90/47/327379047.db2.gz QMPUYSZXUNEMKN-LLVKDONJSA-N 1 2 261.329 0.499 20 30 CCEDLO C[C@@H]1CC[N@@H+](CC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000561247344 327379048 /nfs/dbraw/zinc/37/90/48/327379048.db2.gz QMPUYSZXUNEMKN-LLVKDONJSA-N 1 2 261.329 0.499 20 30 CCEDLO Cc1nn(C)c(C)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569728216 327543356 /nfs/dbraw/zinc/54/33/56/327543356.db2.gz WQSZSFMTEYGVKI-ZDUSSCGKSA-N 1 2 263.345 0.611 20 30 CCEDLO C[C@@H]1C[NH+](C[C@H](O)CC2(C#N)CC2)C[C@@H](C)S1=O ZINC000528477748 328648843 /nfs/dbraw/zinc/64/88/43/328648843.db2.gz PFSCZZJFMQBQBN-IJLUTSLNSA-N 1 2 270.398 0.882 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000378326154 329046020 /nfs/dbraw/zinc/04/60/20/329046020.db2.gz KWFAJDQTOSRDIJ-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000378326154 329046022 /nfs/dbraw/zinc/04/60/22/329046022.db2.gz KWFAJDQTOSRDIJ-VXGBXAGGSA-N 1 2 280.372 0.205 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000171402040 329075350 /nfs/dbraw/zinc/07/53/50/329075350.db2.gz IMRVETOCSGVAEE-IUODEOHRSA-N 1 2 292.383 0.395 20 30 CCEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000171402040 329075351 /nfs/dbraw/zinc/07/53/51/329075351.db2.gz IMRVETOCSGVAEE-IUODEOHRSA-N 1 2 292.383 0.395 20 30 CCEDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000583054048 329304011 /nfs/dbraw/zinc/30/40/11/329304011.db2.gz FMECQKREZZMDHE-UHFFFAOYSA-N 1 2 252.343 0.971 20 30 CCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1C(N)=O ZINC000583087573 329308581 /nfs/dbraw/zinc/30/85/81/329308581.db2.gz BGBDYBUOVLWQDZ-SNVBAGLBSA-N 1 2 295.314 0.510 20 30 CCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1C(N)=O ZINC000583087573 329308583 /nfs/dbraw/zinc/30/85/83/329308583.db2.gz BGBDYBUOVLWQDZ-SNVBAGLBSA-N 1 2 295.314 0.510 20 30 CCEDLO CCCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000189406156 329381753 /nfs/dbraw/zinc/38/17/53/329381753.db2.gz PUOICESCOWPUOA-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO CCCN1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1=O ZINC000189406156 329381755 /nfs/dbraw/zinc/38/17/55/329381755.db2.gz PUOICESCOWPUOA-ZDUSSCGKSA-N 1 2 294.399 0.691 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)N1CCCC1 ZINC000078681518 329967869 /nfs/dbraw/zinc/96/78/69/329967869.db2.gz ATDHMLMJWIFUHL-UHFFFAOYSA-N 1 2 294.399 0.157 20 30 CCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCCO1 ZINC000078686968 329968629 /nfs/dbraw/zinc/96/86/29/329968629.db2.gz YWEZYXPTWZIWOC-AWEZNQCLSA-N 1 2 267.373 0.713 20 30 CCEDLO CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422488449 330148311 /nfs/dbraw/zinc/14/83/11/330148311.db2.gz NCUWTGMHLKPWIB-UHFFFAOYSA-N 1 2 280.372 0.207 20 30 CCEDLO C=CCCOCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433923989 330632938 /nfs/dbraw/zinc/63/29/38/330632938.db2.gz ZSPBIKVAJFLBPV-UHFFFAOYSA-N 1 2 297.399 0.743 20 30 CCEDLO C=C(CC)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000454276536 331143426 /nfs/dbraw/zinc/14/34/26/331143426.db2.gz SMHIYVOWYNMDLG-LBPRGKRZSA-N 1 2 255.362 0.973 20 30 CCEDLO C=CCC[C@@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000456767017 331201831 /nfs/dbraw/zinc/20/18/31/331201831.db2.gz LSGCSOKZYTUPOQ-ZDUSSCGKSA-N 1 2 282.384 0.685 20 30 CCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)CC#N ZINC000457730180 331232568 /nfs/dbraw/zinc/23/25/68/331232568.db2.gz CTAXHQGKTPDQNH-GFCCVEGCSA-N 1 2 282.388 0.946 20 30 CCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000471770931 331519667 /nfs/dbraw/zinc/51/96/67/331519667.db2.gz KWKWIOXXGGTKIA-GFCCVEGCSA-N 1 2 293.367 0.776 20 30 CCEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000489206645 332043264 /nfs/dbraw/zinc/04/32/64/332043264.db2.gz NSHSTUDVWUGTQN-QWHCGFSZSA-N 1 2 290.429 0.981 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000490680120 332103286 /nfs/dbraw/zinc/10/32/86/332103286.db2.gz XPDKXMLQCLGSHC-LBPRGKRZSA-N 1 2 279.384 0.456 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000490680120 332103288 /nfs/dbraw/zinc/10/32/88/332103288.db2.gz XPDKXMLQCLGSHC-LBPRGKRZSA-N 1 2 279.384 0.456 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@@H]2CC)CC1 ZINC000490762037 332113653 /nfs/dbraw/zinc/11/36/53/332113653.db2.gz ZOUSLOWWTSMVCR-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)CC1 ZINC000490762037 332113654 /nfs/dbraw/zinc/11/36/54/332113654.db2.gz ZOUSLOWWTSMVCR-CABCVRRESA-N 1 2 293.411 0.263 20 30 CCEDLO C#CCN(CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000490922095 332129321 /nfs/dbraw/zinc/12/93/21/332129321.db2.gz BQLVISDGPZTGRT-ZDUSSCGKSA-N 1 2 281.381 0.396 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000491072549 332146809 /nfs/dbraw/zinc/14/68/09/332146809.db2.gz SSJMSYBSBMEVTF-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000491072549 332146810 /nfs/dbraw/zinc/14/68/10/332146810.db2.gz SSJMSYBSBMEVTF-CQSZACIVSA-N 1 2 293.411 0.849 20 30 CCEDLO C#CCNC(=O)CC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000491119918 332152125 /nfs/dbraw/zinc/15/21/25/332152125.db2.gz KTRXXHMZZYWNRT-ZDUSSCGKSA-N 1 2 252.314 0.057 20 30 CCEDLO C#CCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491275000 332178634 /nfs/dbraw/zinc/17/86/34/332178634.db2.gz BVRKQDYLLJXPQN-UHFFFAOYSA-N 1 2 253.346 0.372 20 30 CCEDLO C#CCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491275000 332178636 /nfs/dbraw/zinc/17/86/36/332178636.db2.gz BVRKQDYLLJXPQN-UHFFFAOYSA-N 1 2 253.346 0.372 20 30 CCEDLO C#C[C@H](CC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491304111 332185695 /nfs/dbraw/zinc/18/56/95/332185695.db2.gz DDCPFFNRIHTAHW-NWDGAFQWSA-N 1 2 253.346 0.418 20 30 CCEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491516758 332227931 /nfs/dbraw/zinc/22/79/31/332227931.db2.gz VIWNCTZYBANIKT-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491516758 332227933 /nfs/dbraw/zinc/22/79/33/332227933.db2.gz VIWNCTZYBANIKT-UHFFFAOYSA-N 1 2 273.296 0.990 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000491624197 332248472 /nfs/dbraw/zinc/24/84/72/332248472.db2.gz JOXNWAVPTSDHGN-NWDGAFQWSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000491624197 332248473 /nfs/dbraw/zinc/24/84/73/332248473.db2.gz JOXNWAVPTSDHGN-NWDGAFQWSA-N 1 2 252.358 0.871 20 30 CCEDLO C#C[C@@H]1COCCN1CCCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491641775 332260959 /nfs/dbraw/zinc/26/09/59/332260959.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCCN1CCCCC[N@H+]1CCOC[C@@H]1C#C ZINC000491641775 332260960 /nfs/dbraw/zinc/26/09/60/332260960.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1CCCCCN1CCOC[C@@H]1C#C ZINC000491641775 332260962 /nfs/dbraw/zinc/26/09/62/332260962.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1CCCCCN1CCOC[C@@H]1C#C ZINC000491641775 332260964 /nfs/dbraw/zinc/26/09/64/332260964.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 1 2 290.407 0.825 20 30 CCEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000491678661 332283258 /nfs/dbraw/zinc/28/32/58/332283258.db2.gz BWQNGFHXLIQTMX-HUUCEWRRSA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000491678661 332283259 /nfs/dbraw/zinc/28/32/59/332283259.db2.gz BWQNGFHXLIQTMX-HUUCEWRRSA-N 1 2 286.331 0.632 20 30 CCEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000491711074 332302606 /nfs/dbraw/zinc/30/26/06/332302606.db2.gz UKJFSMXLRBAOBO-HOTGVXAUSA-N 1 2 275.348 0.898 20 30 CCEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000491711074 332302608 /nfs/dbraw/zinc/30/26/08/332302608.db2.gz UKJFSMXLRBAOBO-HOTGVXAUSA-N 1 2 275.348 0.898 20 30 CCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000491757996 332330547 /nfs/dbraw/zinc/33/05/47/332330547.db2.gz GJMYBHZRRNYPKN-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C#CC[N@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000491757996 332330548 /nfs/dbraw/zinc/33/05/48/332330548.db2.gz GJMYBHZRRNYPKN-UHFFFAOYSA-N 1 2 275.352 0.489 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(CCC)no2)CC1 ZINC000491770662 332337412 /nfs/dbraw/zinc/33/74/12/332337412.db2.gz NGGJGVQKMAOYEY-UHFFFAOYSA-N 1 2 290.367 0.984 20 30 CCEDLO C#C[C@H](CC)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491820521 332370142 /nfs/dbraw/zinc/37/01/42/332370142.db2.gz RVWVPSHQVDEBRR-GFCCVEGCSA-N 1 2 250.342 0.769 20 30 CCEDLO C=CCOC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OC ZINC000492862008 332416447 /nfs/dbraw/zinc/41/64/47/332416447.db2.gz KLGXMGJTUGUXKV-DOGVGXBMSA-N 1 2 279.296 0.283 20 30 CCEDLO CCOCCO[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566306310 334641987 /nfs/dbraw/zinc/64/19/87/334641987.db2.gz LTBCCMRVTBGNNY-DGCLKSJQSA-N 1 2 271.361 0.388 20 30 CCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1cc(Cl)cn1 ZINC000566307855 334642003 /nfs/dbraw/zinc/64/20/03/334642003.db2.gz BFYRCXXAQZTQJW-LBPRGKRZSA-N 1 2 283.763 0.887 20 30 CCEDLO C[NH+]1CCC(C#N)(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000524686876 333371377 /nfs/dbraw/zinc/37/13/77/333371377.db2.gz OQYNGVIKVRLQMV-UHFFFAOYSA-N 1 2 273.340 0.616 20 30 CCEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000528615049 333449553 /nfs/dbraw/zinc/44/95/53/333449553.db2.gz ROKUINWAZBFKHB-VXGBXAGGSA-N 1 2 283.397 0.788 20 30 CCEDLO COC(=O)C[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000339014151 335141039 /nfs/dbraw/zinc/14/10/39/335141039.db2.gz PPVPCUILXPTBHX-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO COC(=O)C[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000339014151 335141040 /nfs/dbraw/zinc/14/10/40/335141040.db2.gz PPVPCUILXPTBHX-NSHDSACASA-N 1 2 256.302 0.181 20 30 CCEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@]2(CCOC2)O1 ZINC000576013952 335141748 /nfs/dbraw/zinc/14/17/48/335141748.db2.gz KILYQJORTMUVEK-SWLSCSKDSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@]2(CCOC2)O1 ZINC000576013952 335141750 /nfs/dbraw/zinc/14/17/50/335141750.db2.gz KILYQJORTMUVEK-SWLSCSKDSA-N 1 2 293.367 0.429 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@H+](C1CC1)C1COC1)C1CC1 ZINC000576195300 335167622 /nfs/dbraw/zinc/16/76/22/335167622.db2.gz ZLSBTXPJZMVPJW-CQSZACIVSA-N 1 2 263.341 0.658 20 30 CCEDLO C[C@](C#N)(NC(=O)C[N@@H+](C1CC1)C1COC1)C1CC1 ZINC000576195300 335167623 /nfs/dbraw/zinc/16/76/23/335167623.db2.gz ZLSBTXPJZMVPJW-CQSZACIVSA-N 1 2 263.341 0.658 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@H+](C1CC1)C1COC1)C1CC1 ZINC000576195299 335167643 /nfs/dbraw/zinc/16/76/43/335167643.db2.gz ZLSBTXPJZMVPJW-AWEZNQCLSA-N 1 2 263.341 0.658 20 30 CCEDLO C[C@@](C#N)(NC(=O)C[N@@H+](C1CC1)C1COC1)C1CC1 ZINC000576195299 335167644 /nfs/dbraw/zinc/16/76/44/335167644.db2.gz ZLSBTXPJZMVPJW-AWEZNQCLSA-N 1 2 263.341 0.658 20 30 CCEDLO N#CC1(CS(=O)(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000545918253 334006008 /nfs/dbraw/zinc/00/60/08/334006008.db2.gz WQKHCEMXALQLDF-UHFFFAOYSA-N 1 2 282.369 0.886 20 30 CCEDLO CC#CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000548123869 334141093 /nfs/dbraw/zinc/14/10/93/334141093.db2.gz XASFNBGMQKADDY-UHFFFAOYSA-N 1 2 274.386 0.042 20 30 CCEDLO C[C@H]1C[N@H+](CCNC(=O)CC(C)(C)C#N)CCO1 ZINC000548783531 334174021 /nfs/dbraw/zinc/17/40/21/334174021.db2.gz SXCNDGCZFGKWNS-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO C[C@H]1C[N@@H+](CCNC(=O)CC(C)(C)C#N)CCO1 ZINC000548783531 334174022 /nfs/dbraw/zinc/17/40/22/334174022.db2.gz SXCNDGCZFGKWNS-NSHDSACASA-N 1 2 253.346 0.763 20 30 CCEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)OC ZINC000245772755 334218770 /nfs/dbraw/zinc/21/87/70/334218770.db2.gz KWXSAAVXTHDRSU-VHSXEESVSA-N 1 2 255.318 0.146 20 30 CCEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)OC ZINC000245772755 334218771 /nfs/dbraw/zinc/21/87/71/334218771.db2.gz KWXSAAVXTHDRSU-VHSXEESVSA-N 1 2 255.318 0.146 20 30 CCEDLO C=CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000154951750 334708788 /nfs/dbraw/zinc/70/87/88/334708788.db2.gz OCDXAVHHNGUEOF-RYUDHWBXSA-N 1 2 255.362 0.923 20 30 CCEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@]2(C)C[C@H]2F)c1C#N ZINC000577275943 335333543 /nfs/dbraw/zinc/33/35/43/335333543.db2.gz LQBQCYFYKRKVPJ-MFKMUULPSA-N 1 2 279.319 0.542 20 30 CCEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000578545192 335647809 /nfs/dbraw/zinc/64/78/09/335647809.db2.gz IHNQUYOBIOJTJJ-UHFFFAOYSA-N 1 2 294.380 0.467 20 30 CCEDLO CC(=O)N1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000330043290 526511682 /nfs/dbraw/zinc/51/16/82/526511682.db2.gz CKXLYJSUJIMREI-UHFFFAOYSA-N 1 2 250.302 0.540 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000331522783 526610840 /nfs/dbraw/zinc/61/08/40/526610840.db2.gz SQPKZPKNCJPCKY-GVXVVHGQSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000331522783 526610843 /nfs/dbraw/zinc/61/08/43/526610843.db2.gz SQPKZPKNCJPCKY-GVXVVHGQSA-N 1 2 295.383 0.886 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347343874 526611006 /nfs/dbraw/zinc/61/10/06/526611006.db2.gz FHISVCPRRGMDOM-CABZTGNLSA-N 1 2 257.309 0.821 20 30 CCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347343874 526611009 /nfs/dbraw/zinc/61/10/09/526611009.db2.gz FHISVCPRRGMDOM-CABZTGNLSA-N 1 2 257.309 0.821 20 30 CCEDLO C=C(C)COCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354472175 526638479 /nfs/dbraw/zinc/63/84/79/526638479.db2.gz XEHKUWLGLSVOEK-UHFFFAOYSA-N 1 2 299.415 0.989 20 30 CCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000666429066 545122707 /nfs/dbraw/zinc/12/27/07/545122707.db2.gz FSVSVVKCIZVQJQ-GXTWGEPZSA-N 1 2 297.399 0.294 20 30 CCEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000061708432 526776628 /nfs/dbraw/zinc/77/66/28/526776628.db2.gz XDZPZPQUMYAVHP-JTQLQIEISA-N 1 2 263.297 0.773 20 30 CCEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000061708432 526776630 /nfs/dbraw/zinc/77/66/30/526776630.db2.gz XDZPZPQUMYAVHP-JTQLQIEISA-N 1 2 263.297 0.773 20 30 CCEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000668557794 545181632 /nfs/dbraw/zinc/18/16/32/545181632.db2.gz QUOMBILNDCXBGM-CYBMUJFWSA-N 1 2 256.346 0.104 20 30 CCEDLO COCC#CC[NH+]1CCN(Cc2cscn2)CC1 ZINC000677817745 545373591 /nfs/dbraw/zinc/37/35/91/545373591.db2.gz AVUOBAKYVVPXRB-UHFFFAOYSA-N 1 2 265.382 0.911 20 30 CCEDLO COCC#CC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000677818969 545373724 /nfs/dbraw/zinc/37/37/24/545373724.db2.gz MKAYECNIPUZYPR-STQMWFEESA-N 1 2 273.398 0.924 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000677818969 545373725 /nfs/dbraw/zinc/37/37/25/545373725.db2.gz MKAYECNIPUZYPR-STQMWFEESA-N 1 2 273.398 0.924 20 30 CCEDLO C=CCOCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000679462641 545409744 /nfs/dbraw/zinc/40/97/44/545409744.db2.gz QRKMBMQLNSGUER-NSHDSACASA-N 1 2 252.318 0.773 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC000778236532 581146628 /nfs/dbraw/zinc/14/66/28/581146628.db2.gz MMYXQVCSULTXEN-UONOGXRCSA-N 1 2 281.375 0.444 20 30 CCEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC000778236532 581146630 /nfs/dbraw/zinc/14/66/30/581146630.db2.gz MMYXQVCSULTXEN-UONOGXRCSA-N 1 2 281.375 0.444 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC(Cn3cncn3)CC2)c1=O ZINC000777561295 581119847 /nfs/dbraw/zinc/11/98/47/581119847.db2.gz ABMQHGMSLHBZHI-UHFFFAOYSA-N 1 2 298.350 0.681 20 30 CCEDLO C#CCC[NH+]1CCN(S(=O)(=O)N2CC[C@H](C)C2)CC1 ZINC000777976897 581140095 /nfs/dbraw/zinc/14/00/95/581140095.db2.gz SXGKSIXUIKRIRG-ZDUSSCGKSA-N 1 2 285.413 0.214 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N(C)CC ZINC000789874660 581160103 /nfs/dbraw/zinc/16/01/03/581160103.db2.gz IEQHXEQTFLIKLQ-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N(C)CC ZINC000789874660 581160105 /nfs/dbraw/zinc/16/01/05/581160105.db2.gz IEQHXEQTFLIKLQ-NEPJUHHUSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000778738334 581164817 /nfs/dbraw/zinc/16/48/17/581164817.db2.gz VIYDTBUKNMDERN-UHFFFAOYSA-N 1 2 264.369 0.971 20 30 CCEDLO NC(=[NH+]OCCC1CS(=O)(=O)C1)c1ccc(F)cc1 ZINC000790433020 581186901 /nfs/dbraw/zinc/18/69/01/581186901.db2.gz PYBUHMUTDNMNQI-UHFFFAOYSA-N 1 2 286.328 0.897 20 30 CCEDLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779879361 581212134 /nfs/dbraw/zinc/21/21/34/581212134.db2.gz LULRAVZOXKKPAM-AWEZNQCLSA-N 1 2 294.355 0.526 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCNC(=O)C1 ZINC000726790131 581251222 /nfs/dbraw/zinc/25/12/22/581251222.db2.gz CZGTYUTXZNSPAR-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCNC(=O)C1 ZINC000726790131 581251224 /nfs/dbraw/zinc/25/12/24/581251224.db2.gz CZGTYUTXZNSPAR-UHFFFAOYSA-N 1 2 253.346 0.233 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000781390817 581266822 /nfs/dbraw/zinc/26/68/22/581266822.db2.gz JSKSQXAALDYQES-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000781390817 581266823 /nfs/dbraw/zinc/26/68/23/581266823.db2.gz JSKSQXAALDYQES-QWRGUYRKSA-N 1 2 261.329 0.090 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782617538 581314207 /nfs/dbraw/zinc/31/42/07/581314207.db2.gz PDSIGTIOGLLWDF-GXFFZTMASA-N 1 2 277.349 0.872 20 30 CCEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782617538 581314209 /nfs/dbraw/zinc/31/42/09/581314209.db2.gz PDSIGTIOGLLWDF-GXFFZTMASA-N 1 2 277.349 0.872 20 30 CCEDLO COc1ccc(N2CC[NH+](CC(=O)NCC#N)CC2)cc1 ZINC000728153292 581350443 /nfs/dbraw/zinc/35/04/43/581350443.db2.gz QIRZWPCQPLNZAG-UHFFFAOYSA-N 1 2 288.351 0.457 20 30 CCEDLO C#Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)nc1 ZINC000728802555 581372290 /nfs/dbraw/zinc/37/22/90/581372290.db2.gz VBPXVGZXPKSBGS-UHFFFAOYSA-N 1 2 287.363 0.904 20 30 CCEDLO Cn1c[nH+]c(CN=Nc2cc(Cl)nc(N)n2)c1 ZINC000794526091 581374481 /nfs/dbraw/zinc/37/44/81/581374481.db2.gz GQAHPNQGVXOAEC-UHFFFAOYSA-N 1 2 251.681 0.892 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304626 581436112 /nfs/dbraw/zinc/43/61/12/581436112.db2.gz KVDBXETVPPPKAR-LLVKDONJSA-N 1 2 292.257 0.163 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304626 581436114 /nfs/dbraw/zinc/43/61/14/581436114.db2.gz KVDBXETVPPPKAR-LLVKDONJSA-N 1 2 292.257 0.163 20 30 CCEDLO C=C(C)C[N@H+](CCS(N)(=O)=O)Cc1ccc(CO)o1 ZINC000796384610 581439698 /nfs/dbraw/zinc/43/96/98/581439698.db2.gz NJOJRKYWKWLARJ-UHFFFAOYSA-N 1 2 288.369 0.439 20 30 CCEDLO C=C(C)C[N@@H+](CCS(N)(=O)=O)Cc1ccc(CO)o1 ZINC000796384610 581439699 /nfs/dbraw/zinc/43/96/99/581439699.db2.gz NJOJRKYWKWLARJ-UHFFFAOYSA-N 1 2 288.369 0.439 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000786973595 581455160 /nfs/dbraw/zinc/45/51/60/581455160.db2.gz RCOZHQYASJWAQU-CHWSQXEVSA-N 1 2 277.368 0.056 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000797526009 581467908 /nfs/dbraw/zinc/46/79/08/581467908.db2.gz HCNIXKVWSUIGHK-VNHYZAJKSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000797526009 581467909 /nfs/dbraw/zinc/46/79/09/581467909.db2.gz HCNIXKVWSUIGHK-VNHYZAJKSA-N 1 2 280.368 0.394 20 30 CCEDLO Cn1ncc2c1nc(N=NC1CC[N@@H+]3CCC[C@@H]13)[nH]c2=O ZINC000765579693 581526330 /nfs/dbraw/zinc/52/63/30/581526330.db2.gz ZDSACJNNNULPMF-JTQLQIEISA-N 1 2 287.327 0.705 20 30 CCEDLO Cn1ncc2c1nc(N=NC1CC[N@H+]3CCC[C@@H]13)[nH]c2=O ZINC000765579693 581526333 /nfs/dbraw/zinc/52/63/33/581526333.db2.gz ZDSACJNNNULPMF-JTQLQIEISA-N 1 2 287.327 0.705 20 30 CCEDLO N#CCCNC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000766121560 581550803 /nfs/dbraw/zinc/55/08/03/581550803.db2.gz FSWNGBLQWIBFLH-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO N#CCCNC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000766121560 581550805 /nfs/dbraw/zinc/55/08/05/581550805.db2.gz FSWNGBLQWIBFLH-UHFFFAOYSA-N 1 2 251.330 0.661 20 30 CCEDLO C[C@H]1CC(=Nn2c(=O)cn[nH]c2=S)C[N@@H+]1C1CC1 ZINC000766483439 581568197 /nfs/dbraw/zinc/56/81/97/581568197.db2.gz WOFDXKPYSFVQJI-ZETCQYMHSA-N 1 2 265.342 0.388 20 30 CCEDLO C[C@H]1CC(=Nn2c(=O)cn[nH]c2=S)C[N@H+]1C1CC1 ZINC000766483439 581568201 /nfs/dbraw/zinc/56/82/01/581568201.db2.gz WOFDXKPYSFVQJI-ZETCQYMHSA-N 1 2 265.342 0.388 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000766729291 581578413 /nfs/dbraw/zinc/57/84/13/581578413.db2.gz DLOAYDPTMUKLCP-OAVHHTNSSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000766729291 581578417 /nfs/dbraw/zinc/57/84/17/581578417.db2.gz DLOAYDPTMUKLCP-OAVHHTNSSA-N 1 2 270.398 0.357 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000754376267 581588924 /nfs/dbraw/zinc/58/89/24/581588924.db2.gz PGWBZJAEJZAPQO-UHFFFAOYSA-N 1 2 272.352 0.875 20 30 CCEDLO C=CCOCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767536660 581617031 /nfs/dbraw/zinc/61/70/31/581617031.db2.gz WBPGQFJKJJJHTM-TXEJJXNPSA-N 1 2 255.314 0.595 20 30 CCEDLO C=CCOCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767536660 581617036 /nfs/dbraw/zinc/61/70/36/581617036.db2.gz WBPGQFJKJJJHTM-TXEJJXNPSA-N 1 2 255.314 0.595 20 30 CCEDLO C#CCSCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000739821014 581624493 /nfs/dbraw/zinc/62/44/93/581624493.db2.gz BPLLGABBRORRQB-UHFFFAOYSA-N 1 2 287.348 0.759 20 30 CCEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccnc2C)CC1 ZINC000769320413 581683732 /nfs/dbraw/zinc/68/37/32/581683732.db2.gz NLEQWTUIYFAZHD-UHFFFAOYSA-N 1 2 286.379 0.257 20 30 CCEDLO COc1cc(C)[nH+]c(Cn2ccc(C=NO)nc2=O)c1 ZINC000769564630 581696332 /nfs/dbraw/zinc/69/63/32/581696332.db2.gz CPCQZQLJQDYMLO-UHFFFAOYSA-N 1 2 274.280 0.812 20 30 CCEDLO C[C@@H]1CC(=NNCCS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000753959607 581714746 /nfs/dbraw/zinc/71/47/46/581714746.db2.gz MCRSSEPEIPJJGS-SECBINFHSA-N 1 2 259.375 0.233 20 30 CCEDLO C[C@@H]1CC(=NNCCS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000753959607 581714749 /nfs/dbraw/zinc/71/47/49/581714749.db2.gz MCRSSEPEIPJJGS-SECBINFHSA-N 1 2 259.375 0.233 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000730588092 581722714 /nfs/dbraw/zinc/72/27/14/581722714.db2.gz IDZBERLTDAGGED-AWEZNQCLSA-N 1 2 283.331 0.966 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000730588092 581722716 /nfs/dbraw/zinc/72/27/16/581722716.db2.gz IDZBERLTDAGGED-AWEZNQCLSA-N 1 2 283.331 0.966 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccco1 ZINC000740926175 581723483 /nfs/dbraw/zinc/72/34/83/581723483.db2.gz FBLVGTDBEOJGLK-NSHDSACASA-N 1 2 279.340 0.518 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000740926175 581723488 /nfs/dbraw/zinc/72/34/88/581723488.db2.gz FBLVGTDBEOJGLK-NSHDSACASA-N 1 2 279.340 0.518 20 30 CCEDLO CC(C)[N@H+]1CC(=NN[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000754254903 581734913 /nfs/dbraw/zinc/73/49/13/581734913.db2.gz QYJPURLEMGLJSJ-WDEREUQCSA-N 1 2 273.402 0.479 20 30 CCEDLO CC(C)[N@@H+]1CC(=NN[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000754254903 581734914 /nfs/dbraw/zinc/73/49/14/581734914.db2.gz QYJPURLEMGLJSJ-WDEREUQCSA-N 1 2 273.402 0.479 20 30 CCEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCO)CC2)s1 ZINC000771543668 581807785 /nfs/dbraw/zinc/80/77/85/581807785.db2.gz QDRZGTIBIQJQMD-UHFFFAOYSA-N 1 2 296.396 0.491 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000732351131 581820479 /nfs/dbraw/zinc/82/04/79/581820479.db2.gz QTRHXJKSXFWYEK-SNVBAGLBSA-N 1 2 271.276 0.629 20 30 CCEDLO C#CCNC(=O)[C@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732357087 581821089 /nfs/dbraw/zinc/82/10/89/581821089.db2.gz CUPWXPPHBOUQPB-LBPRGKRZSA-N 1 2 299.330 0.866 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCC)CC1 ZINC000744419174 581842169 /nfs/dbraw/zinc/84/21/69/581842169.db2.gz OGFFWWSTFONEPV-AWEZNQCLSA-N 1 2 291.395 0.555 20 30 CCEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)CCC#N ZINC000745078247 581864238 /nfs/dbraw/zinc/86/42/38/581864238.db2.gz CADVKRAOKUUXEP-RYUDHWBXSA-N 1 2 281.356 0.774 20 30 CCEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)CCC#N ZINC000745078247 581864240 /nfs/dbraw/zinc/86/42/40/581864240.db2.gz CADVKRAOKUUXEP-RYUDHWBXSA-N 1 2 281.356 0.774 20 30 CCEDLO C#CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000733355408 581902683 /nfs/dbraw/zinc/90/26/83/581902683.db2.gz DNZVCAOPALAWCE-LBPRGKRZSA-N 1 2 292.383 0.004 20 30 CCEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000773187685 581913608 /nfs/dbraw/zinc/91/36/08/581913608.db2.gz USKMNQVLFJPLPS-MELADBBJSA-N 1 2 295.383 0.187 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC000746852793 581924945 /nfs/dbraw/zinc/92/49/45/581924945.db2.gz NVUKEPYJKINVGN-HNNXBMFYSA-N 1 2 277.368 0.022 20 30 CCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000747820441 581953863 /nfs/dbraw/zinc/95/38/63/581953863.db2.gz WOFICWMKVZJJAQ-UHFFFAOYSA-N 1 2 290.323 0.075 20 30 CCEDLO C#C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)[C@@H]1CCCO1 ZINC000775324986 582018061 /nfs/dbraw/zinc/01/80/61/582018061.db2.gz ASBNDFLBXDPHLY-AVGNSLFASA-N 1 2 282.409 0.721 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C#C)[C@@H]1CCCO1 ZINC000775340012 582019486 /nfs/dbraw/zinc/01/94/86/582019486.db2.gz LLCKWLNHMPTOPP-IHRRRGAJSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C#C)[C@@H]1CCCO1 ZINC000775340012 582019489 /nfs/dbraw/zinc/01/94/89/582019489.db2.gz LLCKWLNHMPTOPP-IHRRRGAJSA-N 1 2 260.337 0.381 20 30 CCEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC000749994684 582029524 /nfs/dbraw/zinc/02/95/24/582029524.db2.gz WNMZFWYPXUCLII-LBPRGKRZSA-N 1 2 260.341 0.301 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC)CCOC1 ZINC000764452144 582047526 /nfs/dbraw/zinc/04/75/26/582047526.db2.gz CBGQIWLFLUZUTM-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(OC)CCOC1 ZINC000764452144 582047529 /nfs/dbraw/zinc/04/75/29/582047529.db2.gz CBGQIWLFLUZUTM-JSGCOSHPSA-N 1 2 266.341 0.006 20 30 CCEDLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000885984153 616342604 /nfs/dbraw/zinc/34/26/04/616342604.db2.gz YSRRCDJVOVOZHV-JTQLQIEISA-N 1 2 254.330 0.972 20 30 CCEDLO CNC(=S)N(C)[NH+]=Cc1cnc(N(C)C)n1C ZINC000841646326 616929265 /nfs/dbraw/zinc/92/92/65/616929265.db2.gz GCNBLISTNIFJAL-UHFFFAOYSA-N 1 2 254.363 0.256 20 30 CCEDLO C#CC1(F)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000883631136 612947904 /nfs/dbraw/zinc/94/79/04/612947904.db2.gz MMIKGUDMTLHVKX-SNVBAGLBSA-N 1 2 262.288 0.565 20 30 CCEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279586 612948602 /nfs/dbraw/zinc/94/86/02/612948602.db2.gz CSYHAQVVBHEOGA-GHMZBOCLSA-N 1 2 263.297 0.515 20 30 CCEDLO C#CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000899121391 612950707 /nfs/dbraw/zinc/95/07/07/612950707.db2.gz BNOADHCNIMFCNN-GFCCVEGCSA-N 1 2 261.325 0.821 20 30 CCEDLO C#CC1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000899119245 612951623 /nfs/dbraw/zinc/95/16/23/612951623.db2.gz IQLJNLSPIOGDAA-LBPRGKRZSA-N 1 2 273.336 0.432 20 30 CCEDLO C#CC1(O)CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000895384417 612952434 /nfs/dbraw/zinc/95/24/34/612952434.db2.gz NJGJKBTZJCZRPJ-UHFFFAOYSA-N 1 2 262.357 0.993 20 30 CCEDLO C#CC[C@@H](COC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000863802363 613037181 /nfs/dbraw/zinc/03/71/81/613037181.db2.gz LAYXYKDBLAMOOC-RYUDHWBXSA-N 1 2 261.325 0.600 20 30 CCEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000931141666 612952791 /nfs/dbraw/zinc/95/27/91/612952791.db2.gz FCZUVCWNIDCYAA-VIFPVBQESA-N 1 2 278.274 0.514 20 30 CCEDLO C#CCNC(=S)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905656682 612953998 /nfs/dbraw/zinc/95/39/98/612953998.db2.gz OMAQARMYLYDDSY-LLVKDONJSA-N 1 2 255.387 0.195 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000919982123 613050655 /nfs/dbraw/zinc/05/06/55/613050655.db2.gz RJXQEBCPLYPFAX-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CCCOC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000919982123 613050656 /nfs/dbraw/zinc/05/06/56/613050656.db2.gz RJXQEBCPLYPFAX-NWDGAFQWSA-N 1 2 253.346 0.370 20 30 CCEDLO C#CC[C@H](CO)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924789107 613055310 /nfs/dbraw/zinc/05/53/10/613055310.db2.gz RUZFEXUIASEIPM-SNVBAGLBSA-N 1 2 296.396 0.388 20 30 CCEDLO N#CCCN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826382220 608038330 /nfs/dbraw/zinc/03/83/30/608038330.db2.gz UHYKPAHKJLUVIX-UHFFFAOYSA-N 1 2 298.354 0.293 20 30 CCEDLO C#CCC(C)(C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000839802505 612965421 /nfs/dbraw/zinc/96/54/21/612965421.db2.gz WNMXSRFFLBRUIZ-UHFFFAOYSA-N 1 2 296.411 0.842 20 30 CCEDLO CC(C)NC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801911168 613916069 /nfs/dbraw/zinc/91/60/69/613916069.db2.gz GFBMXDYQAMWEQB-CYBMUJFWSA-N 1 2 282.388 0.057 20 30 CCEDLO CC(C)CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)CCO ZINC000121395154 614077279 /nfs/dbraw/zinc/07/72/79/614077279.db2.gz OMQPCLPSPIXVBO-UHFFFAOYSA-N 1 2 299.293 0.705 20 30 CCEDLO C[C@@H](C#N)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906429316 617296922 /nfs/dbraw/zinc/29/69/22/617296922.db2.gz GJBUTZMTYCWDHQ-LBPRGKRZSA-N 1 2 276.340 0.462 20 30 CCEDLO C[C@@H](C#N)OCC[N@@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC000933831371 617297351 /nfs/dbraw/zinc/29/73/51/617297351.db2.gz YNDCQWLBPBEOBQ-QWRGUYRKSA-N 1 2 253.346 0.762 20 30 CCEDLO C[C@@H](C#N)OCC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC000933831371 617297354 /nfs/dbraw/zinc/29/73/54/617297354.db2.gz YNDCQWLBPBEOBQ-QWRGUYRKSA-N 1 2 253.346 0.762 20 30 CCEDLO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000969552036 612966022 /nfs/dbraw/zinc/96/60/22/612966022.db2.gz FGZRLYALEMKAEZ-CQSZACIVSA-N 1 2 295.346 0.909 20 30 CCEDLO C#CCCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870063512 612975519 /nfs/dbraw/zinc/97/55/19/612975519.db2.gz NVEFQFBWOPOLRU-OAHLLOKOSA-N 1 2 294.395 0.740 20 30 CCEDLO C#CCCN(CCOC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000856389074 612988287 /nfs/dbraw/zinc/98/82/87/612988287.db2.gz BDCVFFHTMKRPRC-CYBMUJFWSA-N 1 2 275.352 0.944 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000852750945 612989756 /nfs/dbraw/zinc/98/97/56/612989756.db2.gz KNBWDSYDWJCVTM-UHFFFAOYSA-N 1 2 289.339 0.541 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000852750945 612989757 /nfs/dbraw/zinc/98/97/57/612989757.db2.gz KNBWDSYDWJCVTM-UHFFFAOYSA-N 1 2 289.339 0.541 20 30 CCEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000957041170 612991869 /nfs/dbraw/zinc/99/18/69/612991869.db2.gz WETNERVEKOWFSI-UHFFFAOYSA-N 1 2 288.351 0.283 20 30 CCEDLO C#CCONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912450276 612993495 /nfs/dbraw/zinc/99/34/95/612993495.db2.gz LHPDLKWRGCXJRD-UHFFFAOYSA-N 1 2 277.324 0.115 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC000116185939 613010660 /nfs/dbraw/zinc/01/06/60/613010660.db2.gz OYXZIYITDJNABJ-UHFFFAOYSA-N 1 2 273.336 0.871 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000949874954 613010775 /nfs/dbraw/zinc/01/07/75/613010775.db2.gz JZESMWVHNNTGBM-UHFFFAOYSA-N 1 2 299.334 0.445 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000822935146 613010874 /nfs/dbraw/zinc/01/08/74/613010874.db2.gz NRZIBLWKPLPJMP-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CCCOC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000859156013 613049831 /nfs/dbraw/zinc/04/98/31/613049831.db2.gz PLXRMNZSNGNZIA-QWHCGFSZSA-N 1 2 266.341 0.941 20 30 CCEDLO C#CCCOC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921433009 613050580 /nfs/dbraw/zinc/05/05/80/613050580.db2.gz GJEHGOJASSIPIR-LBPRGKRZSA-N 1 2 254.330 0.847 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925597100 613061903 /nfs/dbraw/zinc/06/19/03/613061903.db2.gz GHVDXXRMYVWYCT-KBPBESRZSA-N 1 2 297.399 0.171 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859039066 613062096 /nfs/dbraw/zinc/06/20/96/613062096.db2.gz XVQKJLCGYKJGLU-KGLIPLIRSA-N 1 2 295.383 0.141 20 30 CCEDLO C#CC[C@H](COC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000859031222 613062436 /nfs/dbraw/zinc/06/24/36/613062436.db2.gz GEUGSVQTPNWIHR-QWHCGFSZSA-N 1 2 290.367 0.957 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000831764480 613063026 /nfs/dbraw/zinc/06/30/26/613063026.db2.gz VNDHNCVZYBQUDL-KKUMJFAQSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CCC[C@H](O)CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000831764480 613063027 /nfs/dbraw/zinc/06/30/27/613063027.db2.gz VNDHNCVZYBQUDL-KKUMJFAQSA-N 1 2 296.411 0.766 20 30 CCEDLO C#CC[C@H]1NC(=O)N(Cc2nc(C[NH+](C)C)cs2)C1=O ZINC000925182773 613076018 /nfs/dbraw/zinc/07/60/18/613076018.db2.gz SEINUGJKNAIISV-SNVBAGLBSA-N 1 2 292.364 0.648 20 30 CCEDLO C#C[C@@H](CC)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907717336 613082648 /nfs/dbraw/zinc/08/26/48/613082648.db2.gz ZMIDUGONQNWDCR-UKVQZPPCSA-N 1 2 250.342 0.793 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000821771618 613109426 /nfs/dbraw/zinc/10/94/26/613109426.db2.gz HTIQJVXARBNHCT-MXWKQRLJSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000821771618 613109428 /nfs/dbraw/zinc/10/94/28/613109428.db2.gz HTIQJVXARBNHCT-MXWKQRLJSA-N 1 2 252.289 0.427 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000821771752 613109453 /nfs/dbraw/zinc/10/94/53/613109453.db2.gz MMXKVMYSBUDWOW-ZJUUUORDSA-N 1 2 286.278 0.451 20 30 CCEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](OC(F)F)C2)C1=O ZINC000821771752 613109454 /nfs/dbraw/zinc/10/94/54/613109454.db2.gz MMXKVMYSBUDWOW-ZJUUUORDSA-N 1 2 286.278 0.451 20 30 CCEDLO C#C[C@H](C)N(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925597720 613113853 /nfs/dbraw/zinc/11/38/53/613113853.db2.gz RJBLNICTQOEEAS-QWHCGFSZSA-N 1 2 267.373 0.760 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)/C=C/c3ccco3)CC2)C1 ZINC000941288309 613114450 /nfs/dbraw/zinc/11/44/50/613114450.db2.gz JJJNKGGISFMGJL-AATRIKPKSA-N 1 2 299.374 0.754 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC3CCC3)CC2)C1 ZINC000941361011 613114486 /nfs/dbraw/zinc/11/44/86/613114486.db2.gz OVXNGRNRJLNGAW-UHFFFAOYSA-N 1 2 275.396 0.638 20 30 CCEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C)c3)CC2)C1 ZINC000941378354 613115690 /nfs/dbraw/zinc/11/56/90/613115690.db2.gz SWZNHCZERPUJCW-UHFFFAOYSA-N 1 2 286.379 0.100 20 30 CCEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC000969895924 613121021 /nfs/dbraw/zinc/12/10/21/613121021.db2.gz FBBSZWLVOJPEPK-GFCCVEGCSA-N 1 2 287.363 0.377 20 30 CCEDLO C#C[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000907488290 613131072 /nfs/dbraw/zinc/13/10/72/613131072.db2.gz PLCQHSVAMNPDPG-TZLBIFBXSA-N 1 2 292.379 0.562 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000812020449 613139258 /nfs/dbraw/zinc/13/92/58/613139258.db2.gz BPOWECMAFUJJGL-OLZOCXBDSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000812020449 613139260 /nfs/dbraw/zinc/13/92/60/613139260.db2.gz BPOWECMAFUJJGL-OLZOCXBDSA-N 1 2 267.373 0.664 20 30 CCEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000856107706 613146141 /nfs/dbraw/zinc/14/61/41/613146141.db2.gz SOZFVSQXADHSON-KGLIPLIRSA-N 1 2 287.363 0.990 20 30 CCEDLO C#CC[N@H+]1CCCN(C(=O)c2nn(C)cc2Cl)CC1 ZINC000981235609 613160690 /nfs/dbraw/zinc/16/06/90/613160690.db2.gz MIPQEGOPPZOCFO-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CC[N@@H+]1CCCN(C(=O)c2nn(C)cc2Cl)CC1 ZINC000981235609 613160692 /nfs/dbraw/zinc/16/06/92/613160692.db2.gz MIPQEGOPPZOCFO-UHFFFAOYSA-N 1 2 280.759 0.855 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC(C)=O)C1 ZINC000923589726 613181959 /nfs/dbraw/zinc/18/19/59/613181959.db2.gz TWGSMTQZGPIDPY-ZDUSSCGKSA-N 1 2 250.342 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000885513892 613175895 /nfs/dbraw/zinc/17/58/95/613175895.db2.gz JEMHVNXFTFEPDP-CQSZACIVSA-N 1 2 299.440 0.794 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000885513892 613175896 /nfs/dbraw/zinc/17/58/96/613175896.db2.gz JEMHVNXFTFEPDP-CQSZACIVSA-N 1 2 299.440 0.794 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C1 ZINC000885508520 613176063 /nfs/dbraw/zinc/17/60/63/613176063.db2.gz HMZKRRXFWWVRRI-CYBMUJFWSA-N 1 2 298.412 0.154 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C1 ZINC000885508520 613176064 /nfs/dbraw/zinc/17/60/64/613176064.db2.gz HMZKRRXFWWVRRI-CYBMUJFWSA-N 1 2 298.412 0.154 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)C(C)C)C1 ZINC000885514193 613176098 /nfs/dbraw/zinc/17/60/98/613176098.db2.gz SELXOUMALBGXCC-GFCCVEGCSA-N 1 2 273.402 0.259 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)C(C)C)C1 ZINC000885514193 613176100 /nfs/dbraw/zinc/17/61/00/613176100.db2.gz SELXOUMALBGXCC-GFCCVEGCSA-N 1 2 273.402 0.259 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC(C)=O)C1 ZINC000923589726 613181958 /nfs/dbraw/zinc/18/19/58/613181958.db2.gz TWGSMTQZGPIDPY-ZDUSSCGKSA-N 1 2 250.342 0.960 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000890366557 613186864 /nfs/dbraw/zinc/18/68/64/613186864.db2.gz AZCPJBNZCZSWET-QWRGUYRKSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000890366557 613186865 /nfs/dbraw/zinc/18/68/65/613186865.db2.gz AZCPJBNZCZSWET-QWRGUYRKSA-N 1 2 276.344 0.263 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2CC2)C1 ZINC000885511354 613192844 /nfs/dbraw/zinc/19/28/44/613192844.db2.gz GLFARMIYVFLZAH-LBPRGKRZSA-N 1 2 256.371 0.413 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CC2)C1 ZINC000885511354 613192845 /nfs/dbraw/zinc/19/28/45/613192845.db2.gz GLFARMIYVFLZAH-LBPRGKRZSA-N 1 2 256.371 0.413 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC(C)CC2)C1 ZINC000885514042 613193160 /nfs/dbraw/zinc/19/31/60/613193160.db2.gz NQASYUAXYLJDQL-AWEZNQCLSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CCC(C)CC2)C1 ZINC000885514042 613193163 /nfs/dbraw/zinc/19/31/63/613193163.db2.gz NQASYUAXYLJDQL-AWEZNQCLSA-N 1 2 299.440 0.650 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000885511252 613193313 /nfs/dbraw/zinc/19/33/13/613193313.db2.gz DIVKKSVVLJHNMJ-STQMWFEESA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000885511252 613193314 /nfs/dbraw/zinc/19/33/14/613193314.db2.gz DIVKKSVVLJHNMJ-STQMWFEESA-N 1 2 286.397 0.182 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000819000443 613199250 /nfs/dbraw/zinc/19/92/50/613199250.db2.gz SYFOOVVNAINNPT-YDHLFZDLSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000819000443 613199252 /nfs/dbraw/zinc/19/92/52/613199252.db2.gz SYFOOVVNAINNPT-YDHLFZDLSA-N 1 2 264.369 0.751 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CSC)C(=O)OCC ZINC000928284724 613201366 /nfs/dbraw/zinc/20/13/66/613201366.db2.gz POGHDPZBVJRGQZ-RYUDHWBXSA-N 1 2 298.408 0.495 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2ccnc21 ZINC000908520119 613201343 /nfs/dbraw/zinc/20/13/43/613201343.db2.gz MMFRNDUPXXEQJR-NEPJUHHUSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2ccnc21 ZINC000908520119 613201345 /nfs/dbraw/zinc/20/13/45/613201345.db2.gz MMFRNDUPXXEQJR-NEPJUHHUSA-N 1 2 258.325 0.542 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CSC)C(=O)OCC ZINC000928284724 613201368 /nfs/dbraw/zinc/20/13/68/613201368.db2.gz POGHDPZBVJRGQZ-RYUDHWBXSA-N 1 2 298.408 0.495 20 30 CCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000843943650 613202572 /nfs/dbraw/zinc/20/25/72/613202572.db2.gz ZJIWLQWFSCJNRN-STQMWFEESA-N 1 2 291.395 0.600 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000843943650 613202574 /nfs/dbraw/zinc/20/25/74/613202574.db2.gz ZJIWLQWFSCJNRN-STQMWFEESA-N 1 2 291.395 0.600 20 30 CCEDLO C#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000827519946 613206985 /nfs/dbraw/zinc/20/69/85/613206985.db2.gz XGIPJZHKSTVDGT-CHWSQXEVSA-N 1 2 272.352 0.301 20 30 CCEDLO C#CCN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932706901 613208360 /nfs/dbraw/zinc/20/83/60/613208360.db2.gz FBSCHGUUZHOXNI-UHFFFAOYSA-N 1 2 268.320 0.954 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3cnsn3)n2C)CC1 ZINC000908544821 613209790 /nfs/dbraw/zinc/20/97/90/613209790.db2.gz VCIURYFQFIVRHP-UHFFFAOYSA-N 1 2 289.368 0.089 20 30 CCEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CCO)C2)c1 ZINC000951719540 613211665 /nfs/dbraw/zinc/21/16/65/613211665.db2.gz SAOROLWOHUMREF-UHFFFAOYSA-N 1 2 273.336 0.202 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)c1 ZINC000807282970 613221197 /nfs/dbraw/zinc/22/11/97/613221197.db2.gz UNFBYJWJBYQSFN-CYBMUJFWSA-N 1 2 298.302 0.231 20 30 CCEDLO C/C(=C/C(=O)NC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000900725877 613235688 /nfs/dbraw/zinc/23/56/88/613235688.db2.gz FDHJTXDXCAHZJC-RAXLEYEMSA-N 1 2 293.367 0.454 20 30 CCEDLO C/C(=C\C(=O)N1CC[C@](F)(C#N)C1)C[NH+]1CCOCC1 ZINC000907636483 613253923 /nfs/dbraw/zinc/25/39/23/613253923.db2.gz QZFQZYPWTYNBAZ-BCNIOPEESA-N 1 2 281.331 0.729 20 30 CCEDLO C/C(=C\C(=O)N[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900432579 613258223 /nfs/dbraw/zinc/25/82/23/613258223.db2.gz FKAHWGIMMOASBA-ZKQHCESOSA-N 1 2 251.330 0.683 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000950457907 613294861 /nfs/dbraw/zinc/29/48/61/613294861.db2.gz KZTUZOJQFXTKFP-LBPRGKRZSA-N 1 2 279.384 0.574 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000950645545 613295418 /nfs/dbraw/zinc/29/54/18/613295418.db2.gz QKMIETDZAMYXCO-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000959898113 613315625 /nfs/dbraw/zinc/31/56/25/613315625.db2.gz ZVYLDGBVVIYADX-PBOSXPJTSA-N 1 2 284.363 0.509 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000959898113 613315627 /nfs/dbraw/zinc/31/56/27/613315627.db2.gz ZVYLDGBVVIYADX-PBOSXPJTSA-N 1 2 284.363 0.509 20 30 CCEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000959898112 613316758 /nfs/dbraw/zinc/31/67/58/613316758.db2.gz ZVYLDGBVVIYADX-MUYACECFSA-N 1 2 284.363 0.509 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000959898112 613316759 /nfs/dbraw/zinc/31/67/59/613316759.db2.gz ZVYLDGBVVIYADX-MUYACECFSA-N 1 2 284.363 0.509 20 30 CCEDLO C#CCNC(=O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000815116305 613325997 /nfs/dbraw/zinc/32/59/97/613325997.db2.gz IHOSSMZYSYCMRD-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000815116305 613325999 /nfs/dbraw/zinc/32/59/99/613325999.db2.gz IHOSSMZYSYCMRD-VHSXEESVSA-N 1 2 278.274 0.778 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCc2cccc(OC)c2C1 ZINC000831936834 613330273 /nfs/dbraw/zinc/33/02/73/613330273.db2.gz HVBIUCPUDUUVRB-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCc2cccc(OC)c2C1 ZINC000831936834 613330275 /nfs/dbraw/zinc/33/02/75/613330275.db2.gz HVBIUCPUDUUVRB-UHFFFAOYSA-N 1 2 258.321 0.803 20 30 CCEDLO C#CCNC(=O)C[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000852629045 613331184 /nfs/dbraw/zinc/33/11/84/613331184.db2.gz SRBPYUUXWIIHRN-GFCCVEGCSA-N 1 2 289.383 0.795 20 30 CCEDLO C=C(C)CONC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000844286452 613353736 /nfs/dbraw/zinc/35/37/36/613353736.db2.gz YRVWHZNFNUTHIJ-LLVKDONJSA-N 1 2 257.334 0.514 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000883271215 613354691 /nfs/dbraw/zinc/35/46/91/613354691.db2.gz IEDDAAVPPQFJNJ-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000883271215 613354692 /nfs/dbraw/zinc/35/46/92/613354692.db2.gz IEDDAAVPPQFJNJ-STQMWFEESA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)OCC ZINC000916716443 613355905 /nfs/dbraw/zinc/35/59/05/613355905.db2.gz NABFYQJGJZONHG-LLVKDONJSA-N 1 2 265.313 0.897 20 30 CCEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543824 613360407 /nfs/dbraw/zinc/36/04/07/613360407.db2.gz KBAGZEWZVCULSO-CHWSQXEVSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543824 613360408 /nfs/dbraw/zinc/36/04/08/613360408.db2.gz KBAGZEWZVCULSO-CHWSQXEVSA-N 1 2 251.330 0.730 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216686 613379340 /nfs/dbraw/zinc/37/93/40/613379340.db2.gz PUSIQLAQQXKOKS-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216686 613379341 /nfs/dbraw/zinc/37/93/41/613379341.db2.gz PUSIQLAQQXKOKS-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216686 613379342 /nfs/dbraw/zinc/37/93/42/613379342.db2.gz PUSIQLAQQXKOKS-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000942216686 613379343 /nfs/dbraw/zinc/37/93/43/613379343.db2.gz PUSIQLAQQXKOKS-WPRPVWTQSA-N 1 2 283.763 0.997 20 30 CCEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC000970007070 613384683 /nfs/dbraw/zinc/38/46/83/613384683.db2.gz LHFLXLQMHYLJSN-LLVKDONJSA-N 1 2 283.763 0.680 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300252 613391060 /nfs/dbraw/zinc/39/10/60/613391060.db2.gz RKPVYQSQPJYUNT-VHSXEESVSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300252 613391061 /nfs/dbraw/zinc/39/10/61/613391061.db2.gz RKPVYQSQPJYUNT-VHSXEESVSA-N 1 2 287.747 0.380 20 30 CCEDLO C=C(Cl)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883990871 613391113 /nfs/dbraw/zinc/39/11/13/613391113.db2.gz JNBXILNHKDYUAI-UHFFFAOYSA-N 1 2 256.737 0.987 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000878151083 613399358 /nfs/dbraw/zinc/39/93/58/613399358.db2.gz URUZAYBLKHPWDX-ZDUSSCGKSA-N 1 2 291.351 0.739 20 30 CCEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000878151083 613399360 /nfs/dbraw/zinc/39/93/60/613399360.db2.gz URUZAYBLKHPWDX-ZDUSSCGKSA-N 1 2 291.351 0.739 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C)C1 ZINC000968207224 613401466 /nfs/dbraw/zinc/40/14/66/613401466.db2.gz AUIPNOKTQVMBGD-STQMWFEESA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C)C1 ZINC000968207224 613401470 /nfs/dbraw/zinc/40/14/70/613401470.db2.gz AUIPNOKTQVMBGD-STQMWFEESA-N 1 2 293.411 0.915 20 30 CCEDLO C=C1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000898704269 613416385 /nfs/dbraw/zinc/41/63/85/613416385.db2.gz RVLACKFYDOHBNM-ZDUSSCGKSA-N 1 2 290.367 0.882 20 30 CCEDLO C=C1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000898704269 613416388 /nfs/dbraw/zinc/41/63/88/613416388.db2.gz RVLACKFYDOHBNM-ZDUSSCGKSA-N 1 2 290.367 0.882 20 30 CCEDLO C=CCn1cc(CNc2cc(N(C)C)nc[nH+]2)nn1 ZINC000894271375 613435914 /nfs/dbraw/zinc/43/59/14/613435914.db2.gz REAOLZATMCCBCC-UHFFFAOYSA-N 1 2 259.317 0.932 20 30 CCEDLO C=CCn1cc(CNc2cc(N(C)C)[nH+]cn2)nn1 ZINC000894271375 613435917 /nfs/dbraw/zinc/43/59/17/613435917.db2.gz REAOLZATMCCBCC-UHFFFAOYSA-N 1 2 259.317 0.932 20 30 CCEDLO C=C[C@@H](C)ONC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000844284115 613445907 /nfs/dbraw/zinc/44/59/07/613445907.db2.gz PPLFTBMYWATGIG-LLVKDONJSA-N 1 2 271.361 0.903 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000837185734 613454039 /nfs/dbraw/zinc/45/40/39/613454039.db2.gz DRMRKBODPQBZQD-JTQLQIEISA-N 1 2 262.300 0.723 20 30 CCEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000837185734 613454040 /nfs/dbraw/zinc/45/40/40/613454040.db2.gz DRMRKBODPQBZQD-JTQLQIEISA-N 1 2 262.300 0.723 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N=[S@](C)(=O)N(C)C ZINC000878680023 613461278 /nfs/dbraw/zinc/46/12/78/613461278.db2.gz HCHPYIYAJFOWNF-FDMGOTLNSA-N 1 2 289.401 0.411 20 30 CCEDLO C=CCCC[C@H](NC(=O)Cc1c[nH+]cn1C)C(=O)OC ZINC000928320786 613473161 /nfs/dbraw/zinc/47/31/61/613473161.db2.gz SHRBUHBZZFJPCI-LBPRGKRZSA-N 1 2 279.340 0.977 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845614680 613486595 /nfs/dbraw/zinc/48/65/95/613486595.db2.gz DUUOOSONGXWUOI-SDDRHHMPSA-N 1 2 269.345 0.655 20 30 CCEDLO C=C[C@H](C)ONC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845614680 613486597 /nfs/dbraw/zinc/48/65/97/613486597.db2.gz DUUOOSONGXWUOI-SDDRHHMPSA-N 1 2 269.345 0.655 20 30 CCEDLO CC#CCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875505716 613522258 /nfs/dbraw/zinc/52/22/58/613522258.db2.gz SXFLGRFRTIBZSF-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875505716 613522260 /nfs/dbraw/zinc/52/22/60/613522260.db2.gz SXFLGRFRTIBZSF-CYBMUJFWSA-N 1 2 267.373 0.810 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccnc2)CC1 ZINC000948904934 613563819 /nfs/dbraw/zinc/56/38/19/613563819.db2.gz GYUOLOGXFCBNPA-UHFFFAOYSA-N 1 2 257.337 0.792 20 30 CCEDLO CC#CCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948958468 613566629 /nfs/dbraw/zinc/56/66/29/613566629.db2.gz VVIPTQQKHDJLBL-AWEZNQCLSA-N 1 2 286.379 0.613 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043351 613590380 /nfs/dbraw/zinc/59/03/80/613590380.db2.gz CKZAPQWOYHQHLJ-AAEUAGOBSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC000966043351 613590382 /nfs/dbraw/zinc/59/03/82/613590382.db2.gz CKZAPQWOYHQHLJ-AAEUAGOBSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC000947342994 613597010 /nfs/dbraw/zinc/59/70/10/613597010.db2.gz MRXNKIXDGZDIJY-AAEUAGOBSA-N 1 2 298.408 0.023 20 30 CCEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC000947342994 613597012 /nfs/dbraw/zinc/59/70/12/613597012.db2.gz MRXNKIXDGZDIJY-AAEUAGOBSA-N 1 2 298.408 0.023 20 30 CCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N(C)OC)nn1 ZINC000858319114 613599156 /nfs/dbraw/zinc/59/91/56/613599156.db2.gz AOMMAPFIAWQQTK-JTQLQIEISA-N 1 2 267.333 0.352 20 30 CCEDLO C=CCCn1cc(C[NH2+]CC2OCCCO2)nn1 ZINC000922278076 613599341 /nfs/dbraw/zinc/59/93/41/613599341.db2.gz FWHUAIKOCFGVJY-UHFFFAOYSA-N 1 2 252.318 0.707 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974597813 613609136 /nfs/dbraw/zinc/60/91/36/613609136.db2.gz NUXGNMRTRITORE-GFCCVEGCSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000974597813 613609138 /nfs/dbraw/zinc/60/91/38/613609138.db2.gz NUXGNMRTRITORE-GFCCVEGCSA-N 1 2 289.383 0.506 20 30 CCEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925612866 613649269 /nfs/dbraw/zinc/64/92/69/613649269.db2.gz VRNVVOOJAZARCN-KGLIPLIRSA-N 1 2 297.399 0.171 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC000952380528 613653637 /nfs/dbraw/zinc/65/36/37/613653637.db2.gz FHUYSJHKBUQKNW-CYBMUJFWSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000950701673 613654876 /nfs/dbraw/zinc/65/48/76/613654876.db2.gz QUMBBTXZHMVWKM-NSHDSACASA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC000957104433 613655439 /nfs/dbraw/zinc/65/54/39/613655439.db2.gz ZMCJLLSWVGHRDO-ZDUSSCGKSA-N 1 2 293.411 0.964 20 30 CCEDLO C=CC[NH+]1CCC(NS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000866744371 613675873 /nfs/dbraw/zinc/67/58/73/613675873.db2.gz JJZIZDFAGHSKSW-UHFFFAOYSA-N 1 2 295.430 0.199 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC000949852080 613709219 /nfs/dbraw/zinc/70/92/19/613709219.db2.gz BJAIYWTURUDSMT-UHFFFAOYSA-N 1 2 275.352 0.963 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000951120601 613712903 /nfs/dbraw/zinc/71/29/03/613712903.db2.gz WDGMAUWYVGYIMY-OLZOCXBDSA-N 1 2 279.384 0.608 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC000957346078 613714084 /nfs/dbraw/zinc/71/40/84/613714084.db2.gz CNCITDBBJYQPSM-UHFFFAOYSA-N 1 2 277.324 0.740 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000948784492 613717873 /nfs/dbraw/zinc/71/78/73/613717873.db2.gz JMUNWZFKJKGGCX-UHFFFAOYSA-N 1 2 272.312 0.297 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC000948792584 613718696 /nfs/dbraw/zinc/71/86/96/613718696.db2.gz RWDMHFQJEJMQKS-UHFFFAOYSA-N 1 2 271.324 0.673 20 30 CCEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1=O ZINC000842644969 613720513 /nfs/dbraw/zinc/72/05/13/613720513.db2.gz UNRWTZVJWYXHRK-NEPJUHHUSA-N 1 2 294.355 0.298 20 30 CCEDLO C=CCN1CCN(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)C1=O ZINC000842644969 613720514 /nfs/dbraw/zinc/72/05/14/613720514.db2.gz UNRWTZVJWYXHRK-NEPJUHHUSA-N 1 2 294.355 0.298 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972513978 613723770 /nfs/dbraw/zinc/72/37/70/613723770.db2.gz MNPOSPZTLUVOIN-HNNXBMFYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnoc3)C2)C1 ZINC000972513978 613723772 /nfs/dbraw/zinc/72/37/72/613723772.db2.gz MNPOSPZTLUVOIN-HNNXBMFYSA-N 1 2 291.351 0.706 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000972302916 613724476 /nfs/dbraw/zinc/72/44/76/613724476.db2.gz ZJBLAWXQAJGDHF-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000972302916 613724480 /nfs/dbraw/zinc/72/44/80/613724480.db2.gz ZJBLAWXQAJGDHF-HNNXBMFYSA-N 1 2 290.367 0.821 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000884314075 613877873 /nfs/dbraw/zinc/87/78/73/613877873.db2.gz YNRBEKRGMZEFFY-SRVKXCTJSA-N 1 2 268.357 0.938 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CCC)C1 ZINC000884313729 613877899 /nfs/dbraw/zinc/87/78/99/613877899.db2.gz NIWLZAAYJPWTKC-RYUDHWBXSA-N 1 2 284.356 0.461 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccn(CC)n1 ZINC000884402431 613878918 /nfs/dbraw/zinc/87/89/18/613878918.db2.gz UHXPLZQLYCNEML-VIFPVBQESA-N 1 2 266.301 0.288 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000884168671 613878920 /nfs/dbraw/zinc/87/89/20/613878920.db2.gz LCTXYPFOSWTPNQ-ZIBATOQPSA-N 1 2 298.383 0.753 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(C(F)F)c1 ZINC000884308957 613878942 /nfs/dbraw/zinc/87/89/42/613878942.db2.gz HZNQEYIVUCCNIU-QMMMGPOBSA-N 1 2 288.254 0.663 20 30 CCEDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000932441204 613950758 /nfs/dbraw/zinc/95/07/58/613950758.db2.gz YRPMIKDNPBFMSI-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000932441204 613950759 /nfs/dbraw/zinc/95/07/59/613950759.db2.gz YRPMIKDNPBFMSI-NSHDSACASA-N 1 2 280.372 0.395 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CC#N ZINC000931463102 613982021 /nfs/dbraw/zinc/98/20/21/613982021.db2.gz BUFHEOVPODAGBZ-SDDRHHMPSA-N 1 2 281.356 0.955 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CC#N ZINC000931463102 613982024 /nfs/dbraw/zinc/98/20/24/613982024.db2.gz BUFHEOVPODAGBZ-SDDRHHMPSA-N 1 2 281.356 0.955 20 30 CCEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCC(N)=O)[C@@H](C#N)C1 ZINC000819230209 613982254 /nfs/dbraw/zinc/98/22/54/613982254.db2.gz SDTNFPVONCUNFH-UWVGGRQHSA-N 1 2 282.344 0.210 20 30 CCEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)n1cc[nH+]c1 ZINC000823161654 614180538 /nfs/dbraw/zinc/18/05/38/614180538.db2.gz SPJNPLQXNZACJP-RYUDHWBXSA-N 1 2 294.355 0.967 20 30 CCEDLO CC(C)(C#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069444 614284665 /nfs/dbraw/zinc/28/46/65/614284665.db2.gz HLQGPYWMNZSCGB-GFCCVEGCSA-N 1 2 281.356 0.096 20 30 CCEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(C(N)=O)nn1 ZINC000819808705 614368276 /nfs/dbraw/zinc/36/82/76/614368276.db2.gz GSYGTIOSQUVGTI-UHFFFAOYSA-N 1 2 273.300 0.799 20 30 CCEDLO CCC/N=C1/NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S1 ZINC000106898492 614617750 /nfs/dbraw/zinc/61/77/50/614617750.db2.gz VXHDTIHRTRXKMK-SECBINFHSA-N 1 2 286.401 0.052 20 30 CCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)n1 ZINC000928647048 615479530 /nfs/dbraw/zinc/47/95/30/615479530.db2.gz IAUZBLHXMQOJJI-LBPRGKRZSA-N 1 2 288.351 0.794 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCO[C@H](C)C#N ZINC000801946973 615548884 /nfs/dbraw/zinc/54/88/84/615548884.db2.gz RYTPVTXQOSTQJW-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801946973 615548885 /nfs/dbraw/zinc/54/88/85/615548885.db2.gz RYTPVTXQOSTQJW-VXGBXAGGSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000875553593 615567401 /nfs/dbraw/zinc/56/74/01/615567401.db2.gz LOFVEPMYLMXUFB-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CC1 ZINC000875553593 615567402 /nfs/dbraw/zinc/56/74/02/615567402.db2.gz LOFVEPMYLMXUFB-GFCCVEGCSA-N 1 2 280.372 0.700 20 30 CCEDLO CCn1c[nH+]cc1CN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000897293152 615630904 /nfs/dbraw/zinc/63/09/04/615630904.db2.gz RAWQKPLNSJYQNI-DGCLKSJQSA-N 1 2 294.380 0.273 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000912737549 615660267 /nfs/dbraw/zinc/66/02/67/615660267.db2.gz OYBNCNPEPKDFAS-INIZCTEOSA-N 1 2 286.375 0.735 20 30 CCEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000912737549 615660268 /nfs/dbraw/zinc/66/02/68/615660268.db2.gz OYBNCNPEPKDFAS-INIZCTEOSA-N 1 2 286.375 0.735 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCO[C@H](C)C#N ZINC000801946970 615869552 /nfs/dbraw/zinc/86/95/52/615869552.db2.gz RYTPVTXQOSTQJW-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801946970 615869553 /nfs/dbraw/zinc/86/95/53/615869553.db2.gz RYTPVTXQOSTQJW-NEPJUHHUSA-N 1 2 253.346 0.858 20 30 CCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000874710095 615928729 /nfs/dbraw/zinc/92/87/29/615928729.db2.gz FFHDPWAOIZLHEM-LBPRGKRZSA-N 1 2 290.367 0.737 20 30 CCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)n1C ZINC000874710095 615928733 /nfs/dbraw/zinc/92/87/33/615928733.db2.gz FFHDPWAOIZLHEM-LBPRGKRZSA-N 1 2 290.367 0.737 20 30 CCEDLO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CCC[C@H]1C#N ZINC000877197968 615937032 /nfs/dbraw/zinc/93/70/32/615937032.db2.gz ZSMRNMJRVISJLJ-CABZTGNLSA-N 1 2 273.340 0.820 20 30 CCEDLO CN(Cc1nnc[nH]1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876768445 616104150 /nfs/dbraw/zinc/10/41/50/616104150.db2.gz VRJQOZJWVWXRGH-AWEZNQCLSA-N 1 2 296.334 0.522 20 30 CCEDLO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000912749851 616223997 /nfs/dbraw/zinc/22/39/97/616223997.db2.gz LUEOJYWOYKOZCY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000912749851 616223998 /nfs/dbraw/zinc/22/39/98/616223998.db2.gz LUEOJYWOYKOZCY-CYBMUJFWSA-N 1 2 289.335 0.072 20 30 CCEDLO C[N@@H+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H]1CO ZINC000894882324 616246837 /nfs/dbraw/zinc/24/68/37/616246837.db2.gz VCPZUVMHFKFPLA-JTQLQIEISA-N 1 2 294.286 0.718 20 30 CCEDLO C[N@H+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H]1CO ZINC000894882324 616246838 /nfs/dbraw/zinc/24/68/38/616246838.db2.gz VCPZUVMHFKFPLA-JTQLQIEISA-N 1 2 294.286 0.718 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1 ZINC000904175678 616257508 /nfs/dbraw/zinc/25/75/08/616257508.db2.gz WHFBGFJWLZPFNT-LBPRGKRZSA-N 1 2 268.288 0.874 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1 ZINC000904175678 616257509 /nfs/dbraw/zinc/25/75/09/616257509.db2.gz WHFBGFJWLZPFNT-LBPRGKRZSA-N 1 2 268.288 0.874 20 30 CCEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886158099 616270835 /nfs/dbraw/zinc/27/08/35/616270835.db2.gz RHUQFKCPNDSRHU-RYUDHWBXSA-N 1 2 266.341 0.972 20 30 CCEDLO COC(=O)CCN(CC#N)C(=O)CCc1c[nH+]cn1C ZINC000871343207 616544228 /nfs/dbraw/zinc/54/42/28/616544228.db2.gz BTMABAQPRJXSSM-UHFFFAOYSA-N 1 2 278.312 0.268 20 30 CCEDLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000934037980 616675667 /nfs/dbraw/zinc/67/56/67/616675667.db2.gz QVRUSRUUADWXET-MCIONIFRSA-N 1 2 289.335 0.478 20 30 CCEDLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986010 616689999 /nfs/dbraw/zinc/68/99/99/616689999.db2.gz WOHNPRVHKSXQSY-NWDGAFQWSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000885986010 616690000 /nfs/dbraw/zinc/69/00/00/616690000.db2.gz WOHNPRVHKSXQSY-NWDGAFQWSA-N 1 2 282.340 0.305 20 30 CCEDLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000886867782 616929019 /nfs/dbraw/zinc/92/90/19/616929019.db2.gz NSQFEVPURCOBFA-SMDDNHRTSA-N 1 2 294.355 0.225 20 30 CCEDLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000886867782 616929025 /nfs/dbraw/zinc/92/90/25/616929025.db2.gz NSQFEVPURCOBFA-SMDDNHRTSA-N 1 2 294.355 0.225 20 30 CCEDLO COC[C@@](C)(C#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901053635 617011324 /nfs/dbraw/zinc/01/13/24/617011324.db2.gz ZEGYFTGKFIMGJK-CEFACKQISA-N 1 2 281.356 0.310 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524520 617171201 /nfs/dbraw/zinc/17/12/01/617171201.db2.gz NNEMLDGQGUOHLN-VXGBXAGGSA-N 1 2 251.330 0.817 20 30 CCEDLO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524520 617171202 /nfs/dbraw/zinc/17/12/02/617171202.db2.gz NNEMLDGQGUOHLN-VXGBXAGGSA-N 1 2 251.330 0.817 20 30 CCEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(NCC#N)CC1 ZINC001026592941 625477204 /nfs/dbraw/zinc/47/72/04/625477204.db2.gz VCLYGTKOZBFATH-UHFFFAOYSA-N 1 2 275.356 0.503 20 30 CCEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N(C)CC(=O)NCCC ZINC000934508680 622727996 /nfs/dbraw/zinc/72/79/96/622727996.db2.gz FCPKPPGHGDXTQF-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)NCCC ZINC000934508680 622728001 /nfs/dbraw/zinc/72/80/01/622728001.db2.gz FCPKPPGHGDXTQF-ZDUSSCGKSA-N 1 2 279.384 0.459 20 30 CCEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000934511683 622730372 /nfs/dbraw/zinc/73/03/72/622730372.db2.gz SERHTONHPNFTOK-NWDGAFQWSA-N 1 2 265.357 0.067 20 30 CCEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000934511683 622730379 /nfs/dbraw/zinc/73/03/79/622730379.db2.gz SERHTONHPNFTOK-NWDGAFQWSA-N 1 2 265.357 0.067 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001017952043 623639628 /nfs/dbraw/zinc/63/96/28/623639628.db2.gz QEEOHQXYZXGVLN-RQJABVFESA-N 1 2 289.379 0.019 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001017952043 623639632 /nfs/dbraw/zinc/63/96/32/623639632.db2.gz QEEOHQXYZXGVLN-RQJABVFESA-N 1 2 289.379 0.019 20 30 CCEDLO C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#N)C1 ZINC000970407714 624684082 /nfs/dbraw/zinc/68/40/82/624684082.db2.gz NTXJRMCIFRIWAW-PWSUYJOCSA-N 1 2 287.367 0.790 20 30 CCEDLO CN(CC#N)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027503791 625925362 /nfs/dbraw/zinc/92/53/62/625925362.db2.gz WZMORHZCCHYAKO-CYBMUJFWSA-N 1 2 289.383 0.799 20 30 CCEDLO CN(CC#N)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515216 625933428 /nfs/dbraw/zinc/93/34/28/625933428.db2.gz XBMJEXQOLWDISN-ZDUSSCGKSA-N 1 2 275.356 0.720 20 30 CCEDLO C[C@@H]1/C(=C\c2c[nH+]c(N(C)C)n2C)C(=O)c2ncnn21 ZINC000905084996 634790325 /nfs/dbraw/zinc/79/03/25/634790325.db2.gz LAEZWLGWNXDUOB-LLIKBPFYSA-N 1 2 272.312 0.919 20 30 CCEDLO COC(=O)Cn1cc(C(=O)/C=C/c2c[nH+]cn2C)nn1 ZINC000905086771 634791944 /nfs/dbraw/zinc/79/19/44/634791944.db2.gz YJVCPDHQYHUJPW-ONEGZZNKSA-N 1 2 275.268 0.081 20 30 CCEDLO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C#N)cn1 ZINC000895249838 632034704 /nfs/dbraw/zinc/03/47/04/632034704.db2.gz WFGNFMMRKCOEPI-SWLSCSKDSA-N 1 2 273.384 0.730 20 30 CCEDLO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C#N)cn1 ZINC000895249838 632034711 /nfs/dbraw/zinc/03/47/11/632034711.db2.gz WFGNFMMRKCOEPI-SWLSCSKDSA-N 1 2 273.384 0.730 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918926 650056903 /nfs/dbraw/zinc/05/69/03/650056903.db2.gz GJJQSDCTBDFLII-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006918926 650056906 /nfs/dbraw/zinc/05/69/06/650056906.db2.gz GJJQSDCTBDFLII-WDEREUQCSA-N 1 2 285.775 0.598 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001007361163 650076028 /nfs/dbraw/zinc/07/60/28/650076028.db2.gz WDKQGSFPVWEYIG-UPJWGTAASA-N 1 2 295.383 0.034 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001007361163 650076030 /nfs/dbraw/zinc/07/60/30/650076030.db2.gz WDKQGSFPVWEYIG-UPJWGTAASA-N 1 2 295.383 0.034 20 30 CCEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987441116 632867614 /nfs/dbraw/zinc/86/76/14/632867614.db2.gz NZXFENJBNQOALV-AAEUAGOBSA-N 1 2 275.356 0.455 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008283441 650109038 /nfs/dbraw/zinc/10/90/38/650109038.db2.gz MNWWVYHNGOSVCD-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001008283441 650109039 /nfs/dbraw/zinc/10/90/39/650109039.db2.gz MNWWVYHNGOSVCD-NWDGAFQWSA-N 1 2 299.802 0.940 20 30 CCEDLO C#CCN1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989671110 633342651 /nfs/dbraw/zinc/34/26/51/633342651.db2.gz SAELCPXYTIVHHX-UHFFFAOYSA-N 1 2 260.341 0.359 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@H]3COC[C@@H]3O2)nn1 ZINC000900624558 634056788 /nfs/dbraw/zinc/05/67/88/634056788.db2.gz YVDDXMQWJAENIK-XBFCOCLRSA-N 1 2 276.340 0.195 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]3COC[C@H]3O2)nn1 ZINC000900624555 634057017 /nfs/dbraw/zinc/05/70/17/634057017.db2.gz YVDDXMQWJAENIK-FPMFFAJLSA-N 1 2 276.340 0.195 20 30 CCEDLO C[C@@H]1C[NH+]=C(NN=Cc2ncc(Br)cc2O)N1 ZINC000901216940 634210935 /nfs/dbraw/zinc/21/09/35/634210935.db2.gz UDPDSOINDVYCBZ-ZCFIWIBFSA-N 1 2 298.144 0.821 20 30 CCEDLO Cc1nc(Br)c(C=NNC2=[NH+]CCN2)[nH]1 ZINC000901252571 634215276 /nfs/dbraw/zinc/21/52/76/634215276.db2.gz JCSXICVIXSLTSV-UHFFFAOYSA-N 1 2 271.122 0.363 20 30 CCEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CNC(=O)C2)ccc1F ZINC000902221267 634342813 /nfs/dbraw/zinc/34/28/13/634342813.db2.gz DMNJBSRPRQWBLX-SECBINFHSA-N 1 2 265.288 0.907 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@H](C#N)C2)C1 ZINC000905721741 634902910 /nfs/dbraw/zinc/90/29/10/634902910.db2.gz BWTDBJYPRPZILS-CHWSQXEVSA-N 1 2 287.367 0.929 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000911711143 636345956 /nfs/dbraw/zinc/34/59/56/636345956.db2.gz WSQLNKKYZPMFGR-PHIMTYICSA-N 1 2 275.356 0.705 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CCCOC1 ZINC000913439482 636806994 /nfs/dbraw/zinc/80/69/94/636806994.db2.gz DXVHGKPQPNHJTQ-OCCSQVGLSA-N 1 2 289.339 0.203 20 30 CCEDLO CC[C@](C)(C#N)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454057 636811513 /nfs/dbraw/zinc/81/15/13/636811513.db2.gz XOKDMMMFUAKUFS-DGCLKSJQSA-N 1 2 261.329 0.822 20 30 CCEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001015169559 637379299 /nfs/dbraw/zinc/37/92/99/637379299.db2.gz HZRIOKIWNNDDQJ-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001015169559 637379308 /nfs/dbraw/zinc/37/93/08/637379308.db2.gz HZRIOKIWNNDDQJ-RYUDHWBXSA-N 1 2 286.397 0.188 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993336856 637791523 /nfs/dbraw/zinc/79/15/23/637791523.db2.gz VMWJQAYZNLROTD-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H]1C ZINC000993336856 637791528 /nfs/dbraw/zinc/79/15/28/637791528.db2.gz VMWJQAYZNLROTD-PWSUYJOCSA-N 1 2 275.356 0.258 20 30 CCEDLO N#CCC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577182 637907679 /nfs/dbraw/zinc/90/76/79/637907679.db2.gz NMQDCLQABDWZDR-VXGBXAGGSA-N 1 2 265.269 0.492 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(CC#N)[C@H]1C ZINC000994295545 637917967 /nfs/dbraw/zinc/91/79/67/637917967.db2.gz BTJAAWFIERMJDP-NWDGAFQWSA-N 1 2 275.356 0.753 20 30 CCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000917223166 637960384 /nfs/dbraw/zinc/96/03/84/637960384.db2.gz BKEKATUQKFAIHH-KGLIPLIRSA-N 1 2 293.415 0.567 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)NCC#CCO ZINC000923759827 638055664 /nfs/dbraw/zinc/05/56/64/638055664.db2.gz XZOKWMURZUVUQN-LBPRGKRZSA-N 1 2 276.340 0.652 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000996568095 638822574 /nfs/dbraw/zinc/82/25/74/638822574.db2.gz BOQGYLPNJATPOU-CYBMUJFWSA-N 1 2 289.383 0.703 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998744621 638938695 /nfs/dbraw/zinc/93/86/95/638938695.db2.gz CTMSADFWSVQOTP-KOLCDFICSA-N 1 2 277.328 0.618 20 30 CCEDLO Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000998744623 638938772 /nfs/dbraw/zinc/93/87/72/638938772.db2.gz CTMSADFWSVQOTP-ONGXEEELSA-N 1 2 277.328 0.618 20 30 CCEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000569141 639122706 /nfs/dbraw/zinc/12/27/06/639122706.db2.gz MBPBNEMIZYLIBL-HNNXBMFYSA-N 1 2 290.367 0.882 20 30 CCEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](NCC#N)C1 ZINC001000827485 639176406 /nfs/dbraw/zinc/17/64/06/639176406.db2.gz ZYXMMKMGYBBLTH-LBPRGKRZSA-N 1 2 275.356 0.457 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014797910 650489718 /nfs/dbraw/zinc/48/97/18/650489718.db2.gz WMQFKCIGSDYAAE-TUAOUCFPSA-N 1 2 288.775 0.733 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001014797910 650489720 /nfs/dbraw/zinc/48/97/20/650489720.db2.gz WMQFKCIGSDYAAE-TUAOUCFPSA-N 1 2 288.775 0.733 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCN(CC#N)CC1 ZINC001003654451 639586303 /nfs/dbraw/zinc/58/63/03/639586303.db2.gz SWEYVXFAHDHDFZ-CHWSQXEVSA-N 1 2 287.367 0.628 20 30 CCEDLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@@H](C)N1CC#N ZINC000922515144 639714263 /nfs/dbraw/zinc/71/42/63/639714263.db2.gz YGOASTQSPWISFA-VXGBXAGGSA-N 1 2 290.371 0.548 20 30 CCEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001015169319 650535226 /nfs/dbraw/zinc/53/52/26/650535226.db2.gz FNTVZUXFTSXMHL-GFCCVEGCSA-N 1 2 295.342 0.965 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001015169319 650535231 /nfs/dbraw/zinc/53/52/31/650535231.db2.gz FNTVZUXFTSXMHL-GFCCVEGCSA-N 1 2 295.342 0.965 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015551331 650579745 /nfs/dbraw/zinc/57/97/45/650579745.db2.gz UIHFLCANTIYTKH-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001015551331 650579747 /nfs/dbraw/zinc/57/97/47/650579747.db2.gz UIHFLCANTIYTKH-QWRGUYRKSA-N 1 2 285.775 0.408 20 30 CCEDLO Cn1cc([C@@H]2CSCC[N@@H+]2C[C@H](O)CC#N)cn1 ZINC000809579477 640901196 /nfs/dbraw/zinc/90/11/96/640901196.db2.gz YHSMFOSUMFEXSC-NEPJUHHUSA-N 1 2 266.370 0.785 20 30 CCEDLO Cn1cc([C@@H]2CSCC[N@H+]2C[C@H](O)CC#N)cn1 ZINC000809579477 640901198 /nfs/dbraw/zinc/90/11/98/640901198.db2.gz YHSMFOSUMFEXSC-NEPJUHHUSA-N 1 2 266.370 0.785 20 30 CCEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001016301145 650712859 /nfs/dbraw/zinc/71/28/59/650712859.db2.gz SRWSAUNFJPYZOA-RYUDHWBXSA-N 1 2 286.397 0.330 20 30 CCEDLO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001016301145 650712862 /nfs/dbraw/zinc/71/28/62/650712862.db2.gz SRWSAUNFJPYZOA-RYUDHWBXSA-N 1 2 286.397 0.330 20 30 CCEDLO NC(CCO)=[NH+]OCC(=O)N(C1CC1)C1CCCC1 ZINC000121410532 642665774 /nfs/dbraw/zinc/66/57/74/642665774.db2.gz KJNXJGITOJSWAG-UHFFFAOYSA-N 1 2 269.345 0.591 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000837481513 642747761 /nfs/dbraw/zinc/74/77/61/642747761.db2.gz QILVZWJCNFEZJD-NWDGAFQWSA-N 1 2 252.358 0.871 20 30 CCEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000837481513 642747764 /nfs/dbraw/zinc/74/77/64/642747764.db2.gz QILVZWJCNFEZJD-NWDGAFQWSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C)cn1 ZINC001017394364 650798899 /nfs/dbraw/zinc/79/88/99/650798899.db2.gz GORZPRUUJQOCFS-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C)cn1 ZINC001017394364 650798903 /nfs/dbraw/zinc/79/89/03/650798903.db2.gz GORZPRUUJQOCFS-OKILXGFUSA-N 1 2 272.352 0.500 20 30 CCEDLO C=CCOCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842971279 642974338 /nfs/dbraw/zinc/97/43/38/642974338.db2.gz QCNHEIWJKOBLPU-CHWSQXEVSA-N 1 2 287.356 0.468 20 30 CCEDLO C=CCOCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842971279 642974343 /nfs/dbraw/zinc/97/43/43/642974343.db2.gz QCNHEIWJKOBLPU-CHWSQXEVSA-N 1 2 287.356 0.468 20 30 CCEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017546353 650809974 /nfs/dbraw/zinc/80/99/74/650809974.db2.gz QZTCXSRZZACBGO-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017546353 650809975 /nfs/dbraw/zinc/80/99/75/650809975.db2.gz QZTCXSRZZACBGO-BETUJISGSA-N 1 2 270.336 0.707 20 30 CCEDLO N#Cc1cccn(C[NH+]2CCC(Cn3cnnc3)CC2)c1=O ZINC000844734945 643243111 /nfs/dbraw/zinc/24/31/11/643243111.db2.gz FBXBHOZZOJUTNA-UHFFFAOYSA-N 1 2 298.350 0.681 20 30 CCEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001018158808 650846212 /nfs/dbraw/zinc/84/62/12/650846212.db2.gz MVMGAHHMNYKUFH-MCIONIFRSA-N 1 2 291.395 0.716 20 30 CCEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)C1 ZINC001018158808 650846213 /nfs/dbraw/zinc/84/62/13/650846213.db2.gz MVMGAHHMNYKUFH-MCIONIFRSA-N 1 2 291.395 0.716 20 30 CCEDLO CCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001018632072 650887031 /nfs/dbraw/zinc/88/70/31/650887031.db2.gz MFIXOJYIZUMQHJ-QWRGUYRKSA-N 1 2 291.355 0.872 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001018631949 650887058 /nfs/dbraw/zinc/88/70/58/650887058.db2.gz KHQAUMBHZHAQDC-ONGXEEELSA-N 1 2 289.339 0.797 20 30 CCEDLO CCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001018632070 650887508 /nfs/dbraw/zinc/88/75/08/650887508.db2.gz MFIXOJYIZUMQHJ-MNOVXSKESA-N 1 2 291.355 0.872 20 30 CCEDLO N#Cc1cccn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1=O ZINC000853558134 644121354 /nfs/dbraw/zinc/12/13/54/644121354.db2.gz OGAZLCWCBPDZSW-CHWSQXEVSA-N 1 2 286.335 0.278 20 30 CCEDLO N#Cc1cccn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1=O ZINC000853558134 644121357 /nfs/dbraw/zinc/12/13/57/644121357.db2.gz OGAZLCWCBPDZSW-CHWSQXEVSA-N 1 2 286.335 0.278 20 30 CCEDLO N#CCN[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365546 650966430 /nfs/dbraw/zinc/96/64/30/650966430.db2.gz GOKHXYLBKHJAOB-WDEREUQCSA-N 1 2 273.340 0.544 20 30 CCEDLO C#CCC[NH+]1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000279904400 650991444 /nfs/dbraw/zinc/99/14/44/650991444.db2.gz WDVLDQDQDNWCLL-UHFFFAOYSA-N 1 2 260.341 0.510 20 30 CCEDLO N#C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000866546861 645544426 /nfs/dbraw/zinc/54/44/26/645544426.db2.gz YOFKCSNHSWHFAY-HIFRSBDPSA-N 1 2 293.367 0.240 20 30 CCEDLO N#Cc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)nc1 ZINC000868358971 645756501 /nfs/dbraw/zinc/75/65/01/645756501.db2.gz INUNCRQGRCJVIP-UPHRSURJSA-N 1 2 286.335 0.458 20 30 CCEDLO C[C@H](CC#N)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059397 645955347 /nfs/dbraw/zinc/95/53/47/645955347.db2.gz SNKAYPPBUUYIRI-CHWSQXEVSA-N 1 2 281.356 0.096 20 30 CCEDLO C[C@@H]1CN(C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)CCO1 ZINC000878777002 646977209 /nfs/dbraw/zinc/97/72/09/646977209.db2.gz UWPBZQDGRHVSOQ-MELADBBJSA-N 1 2 294.399 0.152 20 30 CCEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879050795 647020248 /nfs/dbraw/zinc/02/02/48/647020248.db2.gz QJSYEGISBMUTRS-PWSUYJOCSA-N 1 2 266.320 0.965 20 30 CCEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879050797 647020310 /nfs/dbraw/zinc/02/03/10/647020310.db2.gz QJSYEGISBMUTRS-ZYHUDNBSSA-N 1 2 266.320 0.965 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)NCC12COC2 ZINC000880400591 647195316 /nfs/dbraw/zinc/19/53/16/647195316.db2.gz KHLIHEMXYNYMBW-UHFFFAOYSA-N 1 2 285.347 0.958 20 30 CCEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)NCC12COC2 ZINC000880400591 647195320 /nfs/dbraw/zinc/19/53/20/647195320.db2.gz KHLIHEMXYNYMBW-UHFFFAOYSA-N 1 2 285.347 0.958 20 30 CCEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2COC(C)(C)O2)nn1 ZINC000881392664 647308925 /nfs/dbraw/zinc/30/89/25/647308925.db2.gz WJUVUVYOCUAJNS-GFCCVEGCSA-N 1 2 264.329 0.543 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@@]23CCOC3)CCC1 ZINC000886188585 647916172 /nfs/dbraw/zinc/91/61/72/647916172.db2.gz VPAKIZITPWOXPM-HIFRSBDPSA-N 1 2 280.368 0.923 20 30 CCEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@@]23CCOC3)CCC1 ZINC000886188585 647916177 /nfs/dbraw/zinc/91/61/77/647916177.db2.gz VPAKIZITPWOXPM-HIFRSBDPSA-N 1 2 280.368 0.923 20 30 CCEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000929634083 648770724 /nfs/dbraw/zinc/77/07/24/648770724.db2.gz VEFVIFYMAFLWSZ-DGCLKSJQSA-N 1 2 277.324 0.635 20 30 CCEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000929634083 648770727 /nfs/dbraw/zinc/77/07/27/648770727.db2.gz VEFVIFYMAFLWSZ-DGCLKSJQSA-N 1 2 277.324 0.635 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930135068 648829521 /nfs/dbraw/zinc/82/95/21/648829521.db2.gz KUCYOVFAZAJVON-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930135068 648829523 /nfs/dbraw/zinc/82/95/23/648829523.db2.gz KUCYOVFAZAJVON-GLQYFDAESA-N 1 2 276.336 0.673 20 30 CCEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930928428 648928224 /nfs/dbraw/zinc/92/82/24/648928224.db2.gz FYANSKVSVPDSMP-SNVBAGLBSA-N 1 2 267.354 0.095 20 30 CCEDLO C[C@@H]1C[N@H+](CCN2CCO[C@](C)(C#N)C2)CCO1 ZINC000933607177 649129100 /nfs/dbraw/zinc/12/91/00/649129100.db2.gz NAXVBNNOOQKPKP-CHWSQXEVSA-N 1 2 253.346 0.322 20 30 CCEDLO C[C@@H]1C[N@@H+](CCN2CCO[C@](C)(C#N)C2)CCO1 ZINC000933607177 649129102 /nfs/dbraw/zinc/12/91/02/649129102.db2.gz NAXVBNNOOQKPKP-CHWSQXEVSA-N 1 2 253.346 0.322 20 30 CCEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000950457906 649477844 /nfs/dbraw/zinc/47/78/44/649477844.db2.gz KZTUZOJQFXTKFP-GFCCVEGCSA-N 1 2 279.384 0.574 20 30 CCEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000950581364 649483782 /nfs/dbraw/zinc/48/37/82/649483782.db2.gz HXKQNKUXHPYWEE-VXGBXAGGSA-N 1 2 273.340 0.191 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951867888 649568719 /nfs/dbraw/zinc/56/87/19/649568719.db2.gz MOFJBGHTXBJBKG-GHMZBOCLSA-N 1 2 289.339 0.219 20 30 CCEDLO CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(CC)CCC#N ZINC001230547397 805617403 /nfs/dbraw/zinc/61/74/03/805617403.db2.gz ICBUPBNRJOCSCI-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(CC)CCC#N ZINC001230547397 805617407 /nfs/dbraw/zinc/61/74/07/805617407.db2.gz ICBUPBNRJOCSCI-CYBMUJFWSA-N 1 2 294.399 0.691 20 30 CCEDLO C#CCN1CC[NH+](CCNC(=O)CC[C@@H]2CCCO2)CC1 ZINC001266279100 790386610 /nfs/dbraw/zinc/38/66/10/790386610.db2.gz DIHBYWAPIRGRPX-HNNXBMFYSA-N 1 2 293.411 0.313 20 30 CCEDLO N#CCN1CC[NH+](CCNC(=O)c2ccccc2)CC1 ZINC001266279522 790388459 /nfs/dbraw/zinc/38/84/59/790388459.db2.gz TWCPPZPLMABWKJ-UHFFFAOYSA-N 1 2 272.352 0.558 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001039046442 790471037 /nfs/dbraw/zinc/47/10/37/790471037.db2.gz MUQHMCBEWZLMMN-YPMHNXCESA-N 1 2 272.352 0.338 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001039046442 790471044 /nfs/dbraw/zinc/47/10/44/790471044.db2.gz MUQHMCBEWZLMMN-YPMHNXCESA-N 1 2 272.352 0.338 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319153 790497317 /nfs/dbraw/zinc/49/73/17/790497317.db2.gz HWULGMMEHWLWDP-JSGCOSHPSA-N 1 2 291.395 0.505 20 30 CCEDLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266319153 790497321 /nfs/dbraw/zinc/49/73/21/790497321.db2.gz HWULGMMEHWLWDP-JSGCOSHPSA-N 1 2 291.395 0.505 20 30 CCEDLO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266318891 790497735 /nfs/dbraw/zinc/49/77/35/790497735.db2.gz CNHMPMBMQSMZAO-CQSZACIVSA-N 1 2 284.363 0.889 20 30 CCEDLO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266318891 790497742 /nfs/dbraw/zinc/49/77/42/790497742.db2.gz CNHMPMBMQSMZAO-CQSZACIVSA-N 1 2 284.363 0.889 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1CC2(CC2)C1 ZINC001266324121 790506304 /nfs/dbraw/zinc/50/63/04/790506304.db2.gz WANYGPJATLZTJH-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC2(CC2)C1 ZINC001266324121 790506313 /nfs/dbraw/zinc/50/63/13/790506313.db2.gz WANYGPJATLZTJH-UHFFFAOYSA-N 1 2 279.384 0.527 20 30 CCEDLO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266362141 790589076 /nfs/dbraw/zinc/58/90/76/790589076.db2.gz YLQOOCLSJRSTEY-HNNXBMFYSA-N 1 2 299.374 0.365 20 30 CCEDLO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266362141 790589088 /nfs/dbraw/zinc/58/90/88/790589088.db2.gz YLQOOCLSJRSTEY-HNNXBMFYSA-N 1 2 299.374 0.365 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266450533 790736690 /nfs/dbraw/zinc/73/66/90/790736690.db2.gz PGRALJXBMPKPCR-LLVKDONJSA-N 1 2 293.371 0.155 20 30 CCEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266450533 790736701 /nfs/dbraw/zinc/73/67/01/790736701.db2.gz PGRALJXBMPKPCR-LLVKDONJSA-N 1 2 293.371 0.155 20 30 CCEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCS(C)(=O)=O ZINC001266485419 790778397 /nfs/dbraw/zinc/77/83/97/790778397.db2.gz BKIDEIOMZAUUPV-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCS(C)(=O)=O ZINC001266485419 790778411 /nfs/dbraw/zinc/77/84/11/790778411.db2.gz BKIDEIOMZAUUPV-GFCCVEGCSA-N 1 2 286.397 0.025 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001266489029 790781293 /nfs/dbraw/zinc/78/12/93/790781293.db2.gz VUKHMCVVUZEVCS-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001266489029 790781301 /nfs/dbraw/zinc/78/13/01/790781301.db2.gz VUKHMCVVUZEVCS-LBPRGKRZSA-N 1 2 299.802 0.846 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CC4)[C@H]2C1 ZINC001083203219 790889501 /nfs/dbraw/zinc/88/95/01/790889501.db2.gz HNQCFPYWGHAHQL-FRRDWIJNSA-N 1 2 260.337 0.331 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CC4)[C@H]2C1 ZINC001083203219 790889511 /nfs/dbraw/zinc/88/95/11/790889511.db2.gz HNQCFPYWGHAHQL-FRRDWIJNSA-N 1 2 260.337 0.331 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784980 805665953 /nfs/dbraw/zinc/66/59/53/805665953.db2.gz IQDNWJKFYYJSBN-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784980 805665959 /nfs/dbraw/zinc/66/59/59/805665959.db2.gz IQDNWJKFYYJSBN-CYBMUJFWSA-N 1 2 293.411 0.705 20 30 CCEDLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230818981 805672134 /nfs/dbraw/zinc/67/21/34/805672134.db2.gz JNTRMLRGPZXRPS-GHMZBOCLSA-N 1 2 298.412 0.040 20 30 CCEDLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230818981 805672139 /nfs/dbraw/zinc/67/21/39/805672139.db2.gz JNTRMLRGPZXRPS-GHMZBOCLSA-N 1 2 298.412 0.040 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001231234779 805757858 /nfs/dbraw/zinc/75/78/58/805757858.db2.gz WGPLPBVDVOTKBO-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001231234779 805757862 /nfs/dbraw/zinc/75/78/62/805757862.db2.gz WGPLPBVDVOTKBO-OLZOCXBDSA-N 1 2 295.383 0.000 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231245742 805759521 /nfs/dbraw/zinc/75/95/21/805759521.db2.gz AUYUBXRHEXMHAE-AAEUAGOBSA-N 1 2 292.383 0.300 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231245742 805759528 /nfs/dbraw/zinc/75/95/28/805759528.db2.gz AUYUBXRHEXMHAE-AAEUAGOBSA-N 1 2 292.383 0.300 20 30 CCEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)ncn1 ZINC001231292493 805769258 /nfs/dbraw/zinc/76/92/58/805769258.db2.gz CWNGYWMIPILFKZ-BXUZGUMPSA-N 1 2 287.367 0.977 20 30 CCEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)ncn1 ZINC001231292493 805769265 /nfs/dbraw/zinc/76/92/65/805769265.db2.gz CWNGYWMIPILFKZ-BXUZGUMPSA-N 1 2 287.367 0.977 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CNC(=O)N2CCCC2)C1 ZINC001277593163 805875894 /nfs/dbraw/zinc/87/58/94/805875894.db2.gz BZFYUJKDOHOYQL-UHFFFAOYSA-N 1 2 294.399 0.511 20 30 CCEDLO CN(C(=O)C#CC(C)(C)C)C1C[NH+](CCOCCO)C1 ZINC001277593915 805876112 /nfs/dbraw/zinc/87/61/12/805876112.db2.gz OKPPVFMIKJAZNK-UHFFFAOYSA-N 1 2 282.384 0.187 20 30 CCEDLO C[C@]1(CO)C[N@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673117 805967312 /nfs/dbraw/zinc/96/73/12/805967312.db2.gz AHRNCNKYGNTMKM-LSDHHAIUSA-N 1 2 276.336 0.829 20 30 CCEDLO C[C@]1(CO)C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673117 805967316 /nfs/dbraw/zinc/96/73/16/805967316.db2.gz AHRNCNKYGNTMKM-LSDHHAIUSA-N 1 2 276.336 0.829 20 30 CCEDLO C[N@H+](Cc1cccc(C#N)n1)C1CCS(=O)(=O)CC1 ZINC001232925761 805996036 /nfs/dbraw/zinc/99/60/36/805996036.db2.gz NMLWQKKVRXUSJN-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C[N@@H+](Cc1cccc(C#N)n1)C1CCS(=O)(=O)CC1 ZINC001232925761 805996040 /nfs/dbraw/zinc/99/60/40/805996040.db2.gz NMLWQKKVRXUSJN-UHFFFAOYSA-N 1 2 279.365 0.962 20 30 CCEDLO C=CCOCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001277771977 806027807 /nfs/dbraw/zinc/02/78/07/806027807.db2.gz SVILPCRHYYKRAS-JTQLQIEISA-N 1 2 282.344 0.517 20 30 CCEDLO C[N@H+](CCNC(=O)CCC(C)(F)F)CC(=O)NCC#N ZINC001267202899 791667470 /nfs/dbraw/zinc/66/74/70/791667470.db2.gz KYIKOGFCXWOJRM-UHFFFAOYSA-N 1 2 290.314 0.110 20 30 CCEDLO C[N@@H+](CCNC(=O)CCC(C)(F)F)CC(=O)NCC#N ZINC001267202899 791667479 /nfs/dbraw/zinc/66/74/79/791667479.db2.gz KYIKOGFCXWOJRM-UHFFFAOYSA-N 1 2 290.314 0.110 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001267212166 791680949 /nfs/dbraw/zinc/68/09/49/791680949.db2.gz YCZNIZIZBNRMOL-SNVBAGLBSA-N 1 2 273.764 0.265 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001267212166 791680953 /nfs/dbraw/zinc/68/09/53/791680953.db2.gz YCZNIZIZBNRMOL-SNVBAGLBSA-N 1 2 273.764 0.265 20 30 CCEDLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267225268 791701252 /nfs/dbraw/zinc/70/12/52/791701252.db2.gz SIXGIGGYSMDTFW-SWLSCSKDSA-N 1 2 294.399 0.356 20 30 CCEDLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267225268 791701259 /nfs/dbraw/zinc/70/12/59/791701259.db2.gz SIXGIGGYSMDTFW-SWLSCSKDSA-N 1 2 294.399 0.356 20 30 CCEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(=O)NC)CCOCC1 ZINC001267227433 791706014 /nfs/dbraw/zinc/70/60/14/791706014.db2.gz PSPOVDHKCIBQQV-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(=O)NC)CCOCC1 ZINC001267227433 791706017 /nfs/dbraw/zinc/70/60/17/791706017.db2.gz PSPOVDHKCIBQQV-UHFFFAOYSA-N 1 2 297.399 0.153 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233599989 806090715 /nfs/dbraw/zinc/09/07/15/806090715.db2.gz HKWFQQAFCJQUGH-OAHLLOKOSA-N 1 2 289.379 0.821 20 30 CCEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001233599989 806090727 /nfs/dbraw/zinc/09/07/27/806090727.db2.gz HKWFQQAFCJQUGH-OAHLLOKOSA-N 1 2 289.379 0.821 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001233762196 806118407 /nfs/dbraw/zinc/11/84/07/806118407.db2.gz QVPSLVLHEYGXGS-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001233762196 806118409 /nfs/dbraw/zinc/11/84/09/806118409.db2.gz QVPSLVLHEYGXGS-KBPBESRZSA-N 1 2 291.395 0.601 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234079584 806180672 /nfs/dbraw/zinc/18/06/72/806180672.db2.gz YWFOGZVBXVTLLT-NWDGAFQWSA-N 1 2 286.322 0.824 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001234079584 806180676 /nfs/dbraw/zinc/18/06/76/806180676.db2.gz YWFOGZVBXVTLLT-NWDGAFQWSA-N 1 2 286.322 0.824 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038256049 793257057 /nfs/dbraw/zinc/25/70/57/793257057.db2.gz XASGMLNILUGINX-NSHDSACASA-N 1 2 296.321 0.976 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001038256049 793257068 /nfs/dbraw/zinc/25/70/68/793257068.db2.gz XASGMLNILUGINX-NSHDSACASA-N 1 2 296.321 0.976 20 30 CCEDLO C#CC[NH+]1CCN(Cc2ncc(Cl)cn2)CC1 ZINC001235414464 806420146 /nfs/dbraw/zinc/42/01/46/806420146.db2.gz NNKBSSGSLDGKAD-UHFFFAOYSA-N 1 2 250.733 0.881 20 30 CCEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnc(C)s1 ZINC001278054074 806640413 /nfs/dbraw/zinc/64/04/13/806640413.db2.gz NHIMOHVDSLMIEF-KOLCDFICSA-N 1 2 298.412 0.940 20 30 CCEDLO C=CCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnc(C)s1 ZINC001278054073 806640826 /nfs/dbraw/zinc/64/08/26/806640826.db2.gz NHIMOHVDSLMIEF-GXSJLCMTSA-N 1 2 298.412 0.940 20 30 CCEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001278107182 806677059 /nfs/dbraw/zinc/67/70/59/806677059.db2.gz GMQHUBUJJRKLGX-UHFFFAOYSA-N 1 2 275.356 0.261 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC001121279696 799025472 /nfs/dbraw/zinc/02/54/72/799025472.db2.gz XAXDVYQITHRJJE-FZMZJTMJSA-N 1 2 279.388 0.739 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC001121279696 799025481 /nfs/dbraw/zinc/02/54/81/799025481.db2.gz XAXDVYQITHRJJE-FZMZJTMJSA-N 1 2 279.388 0.739 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001121509446 799054131 /nfs/dbraw/zinc/05/41/31/799054131.db2.gz GEUFOVKKWFLBTP-CHWSQXEVSA-N 1 2 289.383 0.661 20 30 CCEDLO C#CCN(CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001121509446 799054137 /nfs/dbraw/zinc/05/41/37/799054137.db2.gz GEUFOVKKWFLBTP-CHWSQXEVSA-N 1 2 289.383 0.661 20 30 CCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[S@](C)=O)C1 ZINC001122106830 799144963 /nfs/dbraw/zinc/14/49/63/799144963.db2.gz VGAGWPBEQHVLKE-BUXKBTBVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[S@](C)=O)C1 ZINC001122106830 799144968 /nfs/dbraw/zinc/14/49/68/799144968.db2.gz VGAGWPBEQHVLKE-BUXKBTBVSA-N 1 2 285.413 0.152 20 30 CCEDLO C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CCN(CC#N)CC1 ZINC001278157290 806729172 /nfs/dbraw/zinc/72/91/72/806729172.db2.gz HBZCNACECDJUFV-UHFFFAOYSA-N 1 2 299.378 0.792 20 30 CCEDLO C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001278157290 806729175 /nfs/dbraw/zinc/72/91/75/806729175.db2.gz HBZCNACECDJUFV-UHFFFAOYSA-N 1 2 299.378 0.792 20 30 CCEDLO C#CCOCCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001123970851 799520520 /nfs/dbraw/zinc/52/05/20/799520520.db2.gz ABNKILAPAUHVBS-UHFFFAOYSA-N 1 2 265.313 0.392 20 30 CCEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@@H](C(N)=O)C3)c[nH]c21 ZINC001139706514 799833606 /nfs/dbraw/zinc/83/36/06/799833606.db2.gz XGZFVXOXFSQEAZ-CYBMUJFWSA-N 1 2 284.319 0.726 20 30 CCEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@@H](C(N)=O)C3)c[nH]c21 ZINC001139706514 799833609 /nfs/dbraw/zinc/83/36/09/799833609.db2.gz XGZFVXOXFSQEAZ-CYBMUJFWSA-N 1 2 284.319 0.726 20 30 CCEDLO Cn1cncc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001278246761 806789858 /nfs/dbraw/zinc/78/98/58/806789858.db2.gz HSOTXJSBAJWWCS-CJNGLKHVSA-N 1 2 299.378 0.757 20 30 CCEDLO Cn1cncc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001278246761 806789864 /nfs/dbraw/zinc/78/98/64/806789864.db2.gz HSOTXJSBAJWWCS-CJNGLKHVSA-N 1 2 299.378 0.757 20 30 CCEDLO CCc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC001238778110 806804279 /nfs/dbraw/zinc/80/42/79/806804279.db2.gz KOEIXTVJKVFSOJ-AWEZNQCLSA-N 1 2 273.336 0.807 20 30 CCEDLO CCc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)ccc1C#N ZINC001238778110 806804288 /nfs/dbraw/zinc/80/42/88/806804288.db2.gz KOEIXTVJKVFSOJ-AWEZNQCLSA-N 1 2 273.336 0.807 20 30 CCEDLO N#CCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001143189357 800204689 /nfs/dbraw/zinc/20/46/89/800204689.db2.gz GLSBAYRMSQBFMX-UHFFFAOYSA-N 1 2 277.328 0.458 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001153135630 800600716 /nfs/dbraw/zinc/60/07/16/800600716.db2.gz WHPVECQCLOLIBT-NSHDSACASA-N 1 2 296.371 0.819 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001153815431 800671705 /nfs/dbraw/zinc/67/17/05/800671705.db2.gz ZVMUTENTPWPUEN-AWEZNQCLSA-N 1 2 296.330 0.478 20 30 CCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001153815431 800671708 /nfs/dbraw/zinc/67/17/08/800671708.db2.gz ZVMUTENTPWPUEN-AWEZNQCLSA-N 1 2 296.330 0.478 20 30 CCEDLO C[N@@H+]1CCO[C@H](CNc2ncc(F)cc2C#N)C1 ZINC001155195049 800926680 /nfs/dbraw/zinc/92/66/80/800926680.db2.gz ZDKBFKOJGGKQDE-LLVKDONJSA-N 1 2 250.277 0.835 20 30 CCEDLO C[N@H+]1CCO[C@H](CNc2ncc(F)cc2C#N)C1 ZINC001155195049 800926685 /nfs/dbraw/zinc/92/66/85/800926685.db2.gz ZDKBFKOJGGKQDE-LLVKDONJSA-N 1 2 250.277 0.835 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C)cc2C#N)C[NH2+]1 ZINC001156240824 801137698 /nfs/dbraw/zinc/13/76/98/801137698.db2.gz VZCKYSRQZKHYCF-QWRGUYRKSA-N 1 2 260.297 0.577 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1c1nc(Cl)c(F)cc1N ZINC001156328043 801152182 /nfs/dbraw/zinc/15/21/82/801152182.db2.gz ZEMZODJUMVDMEM-LURJTMIESA-N 1 2 255.684 0.758 20 30 CCEDLO CCN(CC#N)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156612425 801196852 /nfs/dbraw/zinc/19/68/52/801196852.db2.gz KBQNGXUFPCRZIZ-SNVBAGLBSA-N 1 2 263.345 0.611 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C#CC(C)(C)C ZINC001157036551 801289695 /nfs/dbraw/zinc/28/96/95/801289695.db2.gz CMHBYKAZZSJRHU-LLVKDONJSA-N 1 2 277.324 0.660 20 30 CCEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C#CC(C)(C)C ZINC001157036551 801289699 /nfs/dbraw/zinc/28/96/99/801289699.db2.gz CMHBYKAZZSJRHU-LLVKDONJSA-N 1 2 277.324 0.660 20 30 CCEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)cnc2C#N)C[NH2+]1 ZINC001158254111 801605546 /nfs/dbraw/zinc/60/55/46/801605546.db2.gz NPPMXJSXDZOHFX-RQJHMYQMSA-N 1 2 281.703 0.317 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001251893793 807738448 /nfs/dbraw/zinc/73/84/48/807738448.db2.gz JMWOVKHMMWXIPJ-YNEHKIRRSA-N 1 2 271.357 0.565 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ncnc2[nH]cc(C#N)c21 ZINC001161945403 802251868 /nfs/dbraw/zinc/25/18/68/802251868.db2.gz JAQDAKRFIORQRB-MRVPVSSYSA-N 1 2 274.284 0.132 20 30 CCEDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2[nH]c(C#N)cc2n1 ZINC001161950659 802257579 /nfs/dbraw/zinc/25/75/79/802257579.db2.gz XWNDWONUVKKCCX-SECBINFHSA-N 1 2 273.296 0.737 20 30 CCEDLO CSc1ncc(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162680884 802388883 /nfs/dbraw/zinc/38/88/83/802388883.db2.gz REBPPXSDMZATTG-JTQLQIEISA-N 1 2 279.369 0.235 20 30 CCEDLO CSc1ncc(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162680884 802388891 /nfs/dbraw/zinc/38/88/91/802388891.db2.gz REBPPXSDMZATTG-JTQLQIEISA-N 1 2 279.369 0.235 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)COCCC)C1 ZINC001278843925 808320013 /nfs/dbraw/zinc/32/00/13/808320013.db2.gz RGHKAOFQRMEDDH-UHFFFAOYSA-N 1 2 256.346 0.152 20 30 CCEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001255178318 808325268 /nfs/dbraw/zinc/32/52/68/808325268.db2.gz DZPDHSZOADARGD-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001255178318 808325275 /nfs/dbraw/zinc/32/52/75/808325275.db2.gz DZPDHSZOADARGD-NEPJUHHUSA-N 1 2 253.346 0.906 20 30 CCEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cnc(C#N)cn1 ZINC001162849333 802428379 /nfs/dbraw/zinc/42/83/79/802428379.db2.gz LEMIRVPBTDHYCZ-VIFPVBQESA-N 1 2 263.301 0.429 20 30 CCEDLO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859678 808347505 /nfs/dbraw/zinc/34/75/05/808347505.db2.gz GDVHVGJMTIOTLY-UWVGGRQHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)C(F)(F)F ZINC001278859678 808347514 /nfs/dbraw/zinc/34/75/14/808347514.db2.gz GDVHVGJMTIOTLY-UWVGGRQHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278859678 808347523 /nfs/dbraw/zinc/34/75/23/808347523.db2.gz GDVHVGJMTIOTLY-UWVGGRQHSA-N 1 2 298.280 0.661 20 30 CCEDLO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001278859678 808347530 /nfs/dbraw/zinc/34/75/30/808347530.db2.gz GDVHVGJMTIOTLY-UWVGGRQHSA-N 1 2 298.280 0.661 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163275034 802526206 /nfs/dbraw/zinc/52/62/06/802526206.db2.gz NSKNQINAGUXZOG-CQSZACIVSA-N 1 2 294.399 0.107 20 30 CCEDLO N#CCNCCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163275034 802526210 /nfs/dbraw/zinc/52/62/10/802526210.db2.gz NSKNQINAGUXZOG-CQSZACIVSA-N 1 2 294.399 0.107 20 30 CCEDLO CC[C@@H](C)S(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001260752111 808883522 /nfs/dbraw/zinc/88/35/22/808883522.db2.gz LHPZKZNBLQUJNM-SNVBAGLBSA-N 1 2 259.375 0.692 20 30 CCEDLO C#CCSCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001263954133 809612320 /nfs/dbraw/zinc/61/23/20/809612320.db2.gz HYXHZSVOXPODHT-UHFFFAOYSA-N 1 2 267.354 0.719 20 30 CCEDLO COC(=O)[C@@H]1C[C@H](Nc2cc3nc[nH]c3c(C#N)n2)C[NH2+]1 ZINC001164301896 802713436 /nfs/dbraw/zinc/71/34/36/802713436.db2.gz KKPSWQGIKSFNQF-CBAPKCEASA-N 1 2 286.295 0.145 20 30 CCEDLO N#Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C#N)c1 ZINC001164493232 802749670 /nfs/dbraw/zinc/74/96/70/802749670.db2.gz QOFOCHSTVGOWTL-UHFFFAOYSA-N 1 2 263.251 0.870 20 30 CCEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](O)[C@@H](CO)C3)c12 ZINC001164546305 802761897 /nfs/dbraw/zinc/76/18/97/802761897.db2.gz ZVHYMKINDVNPEA-KOLCDFICSA-N 1 2 258.281 0.224 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001268253409 812419618 /nfs/dbraw/zinc/41/96/18/812419618.db2.gz RNUSWRQDUJLKEE-JSGCOSHPSA-N 1 2 297.399 0.104 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001268253409 812419623 /nfs/dbraw/zinc/41/96/23/812419623.db2.gz RNUSWRQDUJLKEE-JSGCOSHPSA-N 1 2 297.399 0.104 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001205700983 803159358 /nfs/dbraw/zinc/15/93/58/803159358.db2.gz GJQHXENSBKULBG-KXUCPTDWSA-N 1 2 289.326 0.379 20 30 CCEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001205700983 803159361 /nfs/dbraw/zinc/15/93/61/803159361.db2.gz GJQHXENSBKULBG-KXUCPTDWSA-N 1 2 289.326 0.379 20 30 CCEDLO Cc1nonc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001269388076 813353530 /nfs/dbraw/zinc/35/35/30/813353530.db2.gz FCLKLVTTWIUYSM-QMMMGPOBSA-N 1 2 263.301 0.276 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206018573 803197137 /nfs/dbraw/zinc/19/71/37/803197137.db2.gz SEPAHVFHCPSXDJ-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206018573 803197140 /nfs/dbraw/zinc/19/71/40/803197140.db2.gz SEPAHVFHCPSXDJ-CHWSQXEVSA-N 1 2 294.399 0.643 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206870983 803295663 /nfs/dbraw/zinc/29/56/63/803295663.db2.gz UDQJXOPYGFWWOT-VXGBXAGGSA-N 1 2 295.358 0.436 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206870983 803295664 /nfs/dbraw/zinc/29/56/64/803295664.db2.gz UDQJXOPYGFWWOT-VXGBXAGGSA-N 1 2 295.358 0.436 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206912466 803307015 /nfs/dbraw/zinc/30/70/15/803307015.db2.gz NHJCMSDTLWDTJP-TZMCWYRMSA-N 1 2 289.383 0.555 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001206912466 803307023 /nfs/dbraw/zinc/30/70/23/803307023.db2.gz NHJCMSDTLWDTJP-TZMCWYRMSA-N 1 2 289.383 0.555 20 30 CCEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1C#N ZINC001207104794 803353810 /nfs/dbraw/zinc/35/38/10/803353810.db2.gz YRFWHQZEOPHBMA-NILFDRSVSA-N 1 2 275.352 0.868 20 30 CCEDLO Cn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1C#N ZINC001207104794 803353818 /nfs/dbraw/zinc/35/38/18/803353818.db2.gz YRFWHQZEOPHBMA-NILFDRSVSA-N 1 2 275.352 0.868 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001276531308 803395352 /nfs/dbraw/zinc/39/53/52/803395352.db2.gz AVJVTURIAIZXFC-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001276531308 803395360 /nfs/dbraw/zinc/39/53/60/803395360.db2.gz AVJVTURIAIZXFC-ZBFHGGJFSA-N 1 2 294.395 0.738 20 30 CCEDLO C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001208984587 803561980 /nfs/dbraw/zinc/56/19/80/803561980.db2.gz FKBXZUVYTGCQSF-FRRDWIJNSA-N 1 2 275.356 0.794 20 30 CCEDLO C=CCN(CC[N@@H+]1CCCN(C)C(=O)C1)C(=O)OCC ZINC001209023068 803564535 /nfs/dbraw/zinc/56/45/35/803564535.db2.gz ZKRZQYMKXHMXEE-UHFFFAOYSA-N 1 2 283.372 0.795 20 30 CCEDLO C=CCN(CC[N@H+]1CCCN(C)C(=O)C1)C(=O)OCC ZINC001209023068 803564539 /nfs/dbraw/zinc/56/45/39/803564539.db2.gz ZKRZQYMKXHMXEE-UHFFFAOYSA-N 1 2 283.372 0.795 20 30 CCEDLO COC(=O)C1(C#N)CCN(CC[NH+]2CCOCC2)CC1 ZINC001209296366 803590878 /nfs/dbraw/zinc/59/08/78/803590878.db2.gz NRUOEYXRVIKMNP-UHFFFAOYSA-N 1 2 281.356 0.097 20 30 CCEDLO C#Cc1cc(Nc2cnc(C(=O)OC)nc2)cc[nH+]1 ZINC001211154165 803671142 /nfs/dbraw/zinc/67/11/42/803671142.db2.gz VEHGMRNRIQSUIB-UHFFFAOYSA-N 1 2 254.249 0.805 20 30 CCEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@]1(C)C=CCC1 ZINC001272086527 814956450 /nfs/dbraw/zinc/95/64/50/814956450.db2.gz BJRGSXUWMJTPCN-HNNXBMFYSA-N 1 2 292.383 0.373 20 30 CCEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@]1(C)C=CCC1 ZINC001272086527 814956454 /nfs/dbraw/zinc/95/64/54/814956454.db2.gz BJRGSXUWMJTPCN-HNNXBMFYSA-N 1 2 292.383 0.373 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@H](OC)C1 ZINC001213300497 803689893 /nfs/dbraw/zinc/68/98/93/803689893.db2.gz VIFKDFCIFXUAQH-IJLUTSLNSA-N 1 2 256.321 0.429 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@H](OC)C1 ZINC001213300497 803689895 /nfs/dbraw/zinc/68/98/95/803689895.db2.gz VIFKDFCIFXUAQH-IJLUTSLNSA-N 1 2 256.321 0.429 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219217984 804240436 /nfs/dbraw/zinc/24/04/36/804240436.db2.gz GMBNIQIWUWALIK-SZXTZRQCSA-N 1 2 289.788 0.157 20 30 CCEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219217984 804240439 /nfs/dbraw/zinc/24/04/39/804240439.db2.gz GMBNIQIWUWALIK-SZXTZRQCSA-N 1 2 289.788 0.157 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219346404 804280722 /nfs/dbraw/zinc/28/07/22/804280722.db2.gz LJFYVAOSYOJRTL-MRUFAENASA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219346404 804280727 /nfs/dbraw/zinc/28/07/27/804280727.db2.gz LJFYVAOSYOJRTL-MRUFAENASA-N 1 2 258.749 0.866 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219576187 804355690 /nfs/dbraw/zinc/35/56/90/804355690.db2.gz JOYHUMSSJKEMFM-NEKXEHSPSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219576187 804355698 /nfs/dbraw/zinc/35/56/98/804355698.db2.gz JOYHUMSSJKEMFM-NEKXEHSPSA-N 1 2 280.368 0.154 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@@H](O)C1 ZINC001220083961 804495499 /nfs/dbraw/zinc/49/54/99/804495499.db2.gz VEVOANSPLVDWMJ-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)[C@@H](O)C1 ZINC001220083961 804495504 /nfs/dbraw/zinc/49/55/04/804495504.db2.gz VEVOANSPLVDWMJ-ILXRZTDVSA-N 1 2 294.395 0.376 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@@H](O)C1 ZINC001220629217 804639568 /nfs/dbraw/zinc/63/95/68/804639568.db2.gz XXDGTPMSGSBBDR-KFWWJZLASA-N 1 2 296.411 0.480 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@@H](O)C1 ZINC001220629217 804639572 /nfs/dbraw/zinc/63/95/72/804639572.db2.gz XXDGTPMSGSBBDR-KFWWJZLASA-N 1 2 296.411 0.480 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](O)C1 ZINC001220918160 804698775 /nfs/dbraw/zinc/69/87/75/804698775.db2.gz PXQPGWLALMTQNV-CABCVRRESA-N 1 2 288.347 0.168 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H](O)C1 ZINC001220918160 804698781 /nfs/dbraw/zinc/69/87/81/804698781.db2.gz PXQPGWLALMTQNV-CABCVRRESA-N 1 2 288.347 0.168 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001221472342 804822091 /nfs/dbraw/zinc/82/20/91/804822091.db2.gz PVGZVOWMBITSKK-KDHQJITESA-N 1 2 289.379 0.235 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001221472342 804822100 /nfs/dbraw/zinc/82/21/00/804822100.db2.gz PVGZVOWMBITSKK-KDHQJITESA-N 1 2 289.379 0.235 20 30 CCEDLO CN(CCN(C)c1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001105576259 815063509 /nfs/dbraw/zinc/06/35/09/815063509.db2.gz WGPITKMWKZZQQK-UHFFFAOYSA-N 1 2 299.338 0.209 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccnnc2)C1 ZINC001277214181 805360239 /nfs/dbraw/zinc/36/02/39/805360239.db2.gz ORVFBWNTICQANR-GOEBONIOSA-N 1 2 297.362 0.813 20 30 CCEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccnnc2)C1 ZINC001277214181 805360251 /nfs/dbraw/zinc/36/02/51/805360251.db2.gz ORVFBWNTICQANR-GOEBONIOSA-N 1 2 297.362 0.813 20 30 CCEDLO N#Cc1cccc(-c2noc([C@@H]([NH3+])Cc3nn[nH]n3)n2)c1 ZINC001247301852 807460029 /nfs/dbraw/zinc/46/00/29/807460029.db2.gz FWAHLWZALXGSFB-VIFPVBQESA-N 1 2 282.267 0.364 20 30 CCEDLO N#Cc1cccc(-c2noc(C[NH+](CCO)CCO)n2)c1 ZINC001247552163 807467943 /nfs/dbraw/zinc/46/79/43/807467943.db2.gz CIRKQTWNPOHAJM-UHFFFAOYSA-N 1 2 288.307 0.395 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001083470768 815121454 /nfs/dbraw/zinc/12/14/54/815121454.db2.gz MNMWOJYTXLLNSA-NDBYEHHHSA-N 1 2 286.347 0.098 20 30 CCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001083470768 815121458 /nfs/dbraw/zinc/12/14/58/815121458.db2.gz MNMWOJYTXLLNSA-NDBYEHHHSA-N 1 2 286.347 0.098 20 30 CCEDLO N#CCNC[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278599532 807612257 /nfs/dbraw/zinc/61/22/57/807612257.db2.gz ANZRZSCRNPVLAG-WDEREUQCSA-N 1 2 261.329 0.350 20 30 CCEDLO CCCN(CCC#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251014390 807641651 /nfs/dbraw/zinc/64/16/51/807641651.db2.gz BXEVAWMDYRUZBT-CYBMUJFWSA-N 1 2 255.362 0.305 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CC ZINC001251766809 807702506 /nfs/dbraw/zinc/70/25/06/807702506.db2.gz XWUVYLSRKVKXPC-YPMHNXCESA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CC ZINC001251766809 807702509 /nfs/dbraw/zinc/70/25/09/807702509.db2.gz XWUVYLSRKVKXPC-YPMHNXCESA-N 1 2 280.372 0.688 20 30 CCEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001251881194 807732493 /nfs/dbraw/zinc/73/24/93/807732493.db2.gz PEGPYJDKIGQXPH-NEPJUHHUSA-N 1 2 257.330 0.174 20 30 CCEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252484044 807888597 /nfs/dbraw/zinc/88/85/97/807888597.db2.gz YJYBDLPXPDTYHW-TUAOUCFPSA-N 1 2 259.346 0.727 20 30 CCEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252596636 807917222 /nfs/dbraw/zinc/91/72/22/807917222.db2.gz QZCVYEVIQXDGKZ-YPMHNXCESA-N 1 2 280.372 0.688 20 30 CCEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252596636 807917228 /nfs/dbraw/zinc/91/72/28/807917228.db2.gz QZCVYEVIQXDGKZ-YPMHNXCESA-N 1 2 280.372 0.688 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083501608 815172489 /nfs/dbraw/zinc/17/24/89/815172489.db2.gz WZOBPFRJNVJDTP-OLZOCXBDSA-N 1 2 290.367 0.046 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083501608 815172494 /nfs/dbraw/zinc/17/24/94/815172494.db2.gz WZOBPFRJNVJDTP-OLZOCXBDSA-N 1 2 290.367 0.046 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)[C@H]1C ZINC001088804524 815174187 /nfs/dbraw/zinc/17/41/87/815174187.db2.gz ZLDNDPBBSDDNSW-UTUOFQBUSA-N 1 2 299.802 0.796 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)[C@H]1C ZINC001088804524 815174189 /nfs/dbraw/zinc/17/41/89/815174189.db2.gz ZLDNDPBBSDDNSW-UTUOFQBUSA-N 1 2 299.802 0.796 20 30 CCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[C@H](C#N)C1 ZINC001254651048 808270567 /nfs/dbraw/zinc/27/05/67/808270567.db2.gz ZXURSCBMVVNRFI-GVXVVHGQSA-N 1 2 276.340 0.786 20 30 CCEDLO C=C(C)[C@H](CC(=O)NCC1(O)C[NH+](CC)C1)OCC ZINC001278872289 808402651 /nfs/dbraw/zinc/40/26/51/808402651.db2.gz DXMUEALRTBNYFJ-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO COC(=O)[C@]1([NH2+]C2CCC(C#N)CC2)CCOC1 ZINC001256963655 808572454 /nfs/dbraw/zinc/57/24/54/808572454.db2.gz MEAFBZZFRTTWEQ-XIVSLSHWSA-N 1 2 252.314 0.990 20 30 CCEDLO COC(=O)[C@@]1([NH2+]C2CCC(C#N)CC2)CCOC1 ZINC001256963653 808572676 /nfs/dbraw/zinc/57/26/76/808572676.db2.gz MEAFBZZFRTTWEQ-GCZXYKMCSA-N 1 2 252.314 0.990 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@@H](O)C1 ZINC001083541400 815238568 /nfs/dbraw/zinc/23/85/68/815238568.db2.gz DYPHFJLZFWTADN-KGLIPLIRSA-N 1 2 299.330 0.544 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@@H](O)C1 ZINC001083541400 815238573 /nfs/dbraw/zinc/23/85/73/815238573.db2.gz DYPHFJLZFWTADN-KGLIPLIRSA-N 1 2 299.330 0.544 20 30 CCEDLO Cc1cncn1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001261795125 809090965 /nfs/dbraw/zinc/09/09/65/809090965.db2.gz LNGYWQLXBQFAIO-UHFFFAOYSA-N 1 2 261.329 0.296 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001262947578 809423379 /nfs/dbraw/zinc/42/33/79/809423379.db2.gz OLYOMXWAVNQBSB-ZIAGYGMSSA-N 1 2 299.378 0.274 20 30 CCEDLO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001262947578 809423385 /nfs/dbraw/zinc/42/33/85/809423385.db2.gz OLYOMXWAVNQBSB-ZIAGYGMSSA-N 1 2 299.378 0.274 20 30 CCEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076427816 815296230 /nfs/dbraw/zinc/29/62/30/815296230.db2.gz QKWTUWRDYQTPQT-NSHDSACASA-N 1 2 288.351 0.377 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001263805092 809574387 /nfs/dbraw/zinc/57/43/87/809574387.db2.gz LDGGWQPNAWWMFX-KGLIPLIRSA-N 1 2 290.367 0.274 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001263805092 809574390 /nfs/dbraw/zinc/57/43/90/809574390.db2.gz LDGGWQPNAWWMFX-KGLIPLIRSA-N 1 2 290.367 0.274 20 30 CCEDLO N#C[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000385997065 809637598 /nfs/dbraw/zinc/63/75/98/809637598.db2.gz SOXRSESDFANUMJ-OLZOCXBDSA-N 1 2 253.346 0.058 20 30 CCEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001264188289 809637760 /nfs/dbraw/zinc/63/77/60/809637760.db2.gz CCGJWOVTKOTAHP-JTQLQIEISA-N 1 2 288.376 0.910 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC001265207960 809725374 /nfs/dbraw/zinc/72/53/74/809725374.db2.gz NWIOKDRELRCDNV-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC001265207960 809725378 /nfs/dbraw/zinc/72/53/78/809725378.db2.gz NWIOKDRELRCDNV-ZDUSSCGKSA-N 1 2 297.399 0.294 20 30 CCEDLO Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1CNCC#N ZINC001265677039 809824441 /nfs/dbraw/zinc/82/44/41/809824441.db2.gz BZJIFRWOVNKHLK-CYBMUJFWSA-N 1 2 289.383 0.847 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CCCC2)C1 ZINC001266197913 809960093 /nfs/dbraw/zinc/96/00/93/809960093.db2.gz RRMISJNAZKXEQQ-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CCCC2)C1 ZINC001266197913 809960094 /nfs/dbraw/zinc/96/00/94/809960094.db2.gz RRMISJNAZKXEQQ-AWEZNQCLSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C(C)(C)F)C1 ZINC001279462174 809981019 /nfs/dbraw/zinc/98/10/19/809981019.db2.gz OWMNWKMQFZKCPO-CYBMUJFWSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C(C)(C)F)C1 ZINC001279462174 809981022 /nfs/dbraw/zinc/98/10/22/809981022.db2.gz OWMNWKMQFZKCPO-CYBMUJFWSA-N 1 2 256.321 0.311 20 30 CCEDLO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C2(F)CCCC2)C1 ZINC001279490215 809984001 /nfs/dbraw/zinc/98/40/01/809984001.db2.gz KRVYCUMJVXBPHE-CQSZACIVSA-N 1 2 282.359 0.845 20 30 CCEDLO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2(F)CCCC2)C1 ZINC001279490215 809984005 /nfs/dbraw/zinc/98/40/05/809984005.db2.gz KRVYCUMJVXBPHE-CQSZACIVSA-N 1 2 282.359 0.845 20 30 CCEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001076664145 815335536 /nfs/dbraw/zinc/33/55/36/815335536.db2.gz HTAACQXBAHYUQR-IAGOWNOFSA-N 1 2 298.386 1.000 20 30 CCEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001076664145 815335544 /nfs/dbraw/zinc/33/55/44/815335544.db2.gz HTAACQXBAHYUQR-IAGOWNOFSA-N 1 2 298.386 1.000 20 30 CCEDLO N#CCc1nccnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168367319 815359291 /nfs/dbraw/zinc/35/92/91/815359291.db2.gz LDBLSHKTXVWICG-LLVKDONJSA-N 1 2 273.340 0.818 20 30 CCEDLO N#CCc1nccnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168367319 815359297 /nfs/dbraw/zinc/35/92/97/815359297.db2.gz LDBLSHKTXVWICG-LLVKDONJSA-N 1 2 273.340 0.818 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001267288484 811100346 /nfs/dbraw/zinc/10/03/46/811100346.db2.gz SHDIXOWBZIMNKH-NSHDSACASA-N 1 2 264.329 0.974 20 30 CCEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001267288484 811100352 /nfs/dbraw/zinc/10/03/52/811100352.db2.gz SHDIXOWBZIMNKH-NSHDSACASA-N 1 2 264.329 0.974 20 30 CCEDLO C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001076996823 815430311 /nfs/dbraw/zinc/43/03/11/815430311.db2.gz PJVSUDMDQQBZEO-ZIAGYGMSSA-N 1 2 298.346 0.051 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001058562577 811321596 /nfs/dbraw/zinc/32/15/96/811321596.db2.gz NJQJLGBSVNDZFG-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CCO[C@H](C)C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001267645072 811611319 /nfs/dbraw/zinc/61/13/19/811611319.db2.gz KRMVUCYEQAVSLR-GFCCVEGCSA-N 1 2 280.368 0.394 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CCC(C)C)C1 ZINC001267675209 811640660 /nfs/dbraw/zinc/64/06/60/811640660.db2.gz QNBTTXKLIYOKBG-UHFFFAOYSA-N 1 2 279.384 0.220 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001038340634 811653559 /nfs/dbraw/zinc/65/35/59/811653559.db2.gz RLYJOEDGUBHIKV-GXTWGEPZSA-N 1 2 284.363 0.405 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001038340634 811653566 /nfs/dbraw/zinc/65/35/66/811653566.db2.gz RLYJOEDGUBHIKV-GXTWGEPZSA-N 1 2 284.363 0.405 20 30 CCEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CC(C)(F)F)C1 ZINC001267693167 811658311 /nfs/dbraw/zinc/65/83/11/811658311.db2.gz UULZEKWKEAMVGF-UHFFFAOYSA-N 1 2 289.326 0.382 20 30 CCEDLO CS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267723706 811688708 /nfs/dbraw/zinc/68/87/08/811688708.db2.gz HEFJTLCSGIFPDW-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO CS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267723706 811688713 /nfs/dbraw/zinc/68/87/13/811688713.db2.gz HEFJTLCSGIFPDW-ZDUSSCGKSA-N 1 2 298.408 0.025 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077309717 815479302 /nfs/dbraw/zinc/47/93/02/815479302.db2.gz CETQXJALTYYTFR-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001077309717 815479306 /nfs/dbraw/zinc/47/93/06/815479306.db2.gz CETQXJALTYYTFR-VXGBXAGGSA-N 1 2 285.303 0.236 20 30 CCEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC#CC)C2)nn1 ZINC001105308792 811902880 /nfs/dbraw/zinc/90/28/80/811902880.db2.gz YGRWGLGWZCPICF-UHFFFAOYSA-N 1 2 299.378 0.578 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038375840 811942924 /nfs/dbraw/zinc/94/29/24/811942924.db2.gz OMXXLQZSKPOFMV-NSHDSACASA-N 1 2 296.321 0.976 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001038375840 811942931 /nfs/dbraw/zinc/94/29/31/811942931.db2.gz OMXXLQZSKPOFMV-NSHDSACASA-N 1 2 296.321 0.976 20 30 CCEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001125967073 811950025 /nfs/dbraw/zinc/95/00/25/811950025.db2.gz KQVONEZQOFMMBO-UHFFFAOYSA-N 1 2 293.371 0.535 20 30 CCEDLO CCNC(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000722158457 811960766 /nfs/dbraw/zinc/96/07/66/811960766.db2.gz DOZJNLQHEXRXCH-LLVKDONJSA-N 1 2 254.334 0.262 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001077401751 815493993 /nfs/dbraw/zinc/49/39/93/815493993.db2.gz KGAVMTSPADRTOP-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001077401751 815494000 /nfs/dbraw/zinc/49/40/00/815494000.db2.gz KGAVMTSPADRTOP-VXGBXAGGSA-N 1 2 289.335 0.269 20 30 CCEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007835 812211272 /nfs/dbraw/zinc/21/12/72/812211272.db2.gz RBFFRGRDVLAFMP-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001028007835 812211279 /nfs/dbraw/zinc/21/12/79/812211279.db2.gz RBFFRGRDVLAFMP-NWDGAFQWSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CCOCC[NH+]1CC(NC(=O)C#CC(C)C)C1 ZINC001268297700 812455058 /nfs/dbraw/zinc/45/50/58/812455058.db2.gz XAXWSWVMYMMWII-UHFFFAOYSA-N 1 2 250.342 0.649 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001268462193 812604966 /nfs/dbraw/zinc/60/49/66/812604966.db2.gz BCPRNOUPSMHNLU-UHFFFAOYSA-N 1 2 291.395 0.507 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001268469858 812620751 /nfs/dbraw/zinc/62/07/51/812620751.db2.gz MRXAJCFIWXEQNF-JTQLQIEISA-N 1 2 278.274 0.778 20 30 CCEDLO C#Cc1ccc(C(=O)N(CC)CC[NH2+]Cc2cnon2)nc1 ZINC001268493706 812692041 /nfs/dbraw/zinc/69/20/41/812692041.db2.gz ZMFIENFTDNZNCR-UHFFFAOYSA-N 1 2 299.334 0.698 20 30 CCEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001268512390 812747976 /nfs/dbraw/zinc/74/79/76/812747976.db2.gz XKWFBSQQTNWTAW-CQSZACIVSA-N 1 2 289.379 0.140 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)sc2C)[C@@H](O)C1 ZINC001083630180 815571782 /nfs/dbraw/zinc/57/17/82/815571782.db2.gz HJGSTHCRVQISTH-BDAKNGLRSA-N 1 2 299.783 0.513 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)sc2C)[C@@H](O)C1 ZINC001083630180 815571785 /nfs/dbraw/zinc/57/17/85/815571785.db2.gz HJGSTHCRVQISTH-BDAKNGLRSA-N 1 2 299.783 0.513 20 30 CCEDLO C#CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001268942703 813152742 /nfs/dbraw/zinc/15/27/42/813152742.db2.gz YKYZFPNVHUEJRV-INIZCTEOSA-N 1 2 287.363 0.841 20 30 CCEDLO C#CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001268942703 813152745 /nfs/dbraw/zinc/15/27/45/813152745.db2.gz YKYZFPNVHUEJRV-INIZCTEOSA-N 1 2 287.363 0.841 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001269052240 813194339 /nfs/dbraw/zinc/19/43/39/813194339.db2.gz YZCXZPICMSVINT-XJKSGUPXSA-N 1 2 291.395 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001269052240 813194343 /nfs/dbraw/zinc/19/43/43/813194343.db2.gz YZCXZPICMSVINT-XJKSGUPXSA-N 1 2 291.395 0.835 20 30 CCEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001127046623 815602662 /nfs/dbraw/zinc/60/26/62/815602662.db2.gz TWAHYBBVXIEPCO-JTQLQIEISA-N 1 2 292.339 0.191 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001269199881 813259852 /nfs/dbraw/zinc/25/98/52/813259852.db2.gz HDZGABUQKYIQRA-STQMWFEESA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001269199881 813259854 /nfs/dbraw/zinc/25/98/54/813259854.db2.gz HDZGABUQKYIQRA-STQMWFEESA-N 1 2 252.358 0.873 20 30 CCEDLO CC[C@H](C)OCC(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269223422 813277244 /nfs/dbraw/zinc/27/72/44/813277244.db2.gz NYCZUBGHSLVSPC-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO CC[C@H](C)OCC(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269223422 813277247 /nfs/dbraw/zinc/27/72/47/813277247.db2.gz NYCZUBGHSLVSPC-UONOGXRCSA-N 1 2 282.384 0.642 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)COCC(F)F ZINC001269267065 813297393 /nfs/dbraw/zinc/29/73/93/813297393.db2.gz PRYYCNAQUVHWGV-NSHDSACASA-N 1 2 290.310 0.108 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)COCC(F)F ZINC001269267065 813297400 /nfs/dbraw/zinc/29/74/00/813297400.db2.gz PRYYCNAQUVHWGV-NSHDSACASA-N 1 2 290.310 0.108 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269272414 813299466 /nfs/dbraw/zinc/29/94/66/813299466.db2.gz KKPDKFGYOYQZOQ-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO CC[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269272414 813299472 /nfs/dbraw/zinc/29/94/72/813299472.db2.gz KKPDKFGYOYQZOQ-VXGBXAGGSA-N 1 2 256.321 0.575 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001269763593 813496805 /nfs/dbraw/zinc/49/68/05/813496805.db2.gz BJORPDOAKIPDBK-LLVKDONJSA-N 1 2 265.357 0.858 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038408078 813536519 /nfs/dbraw/zinc/53/65/19/813536519.db2.gz IDYKOLDLPSCDLC-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001038408078 813536525 /nfs/dbraw/zinc/53/65/25/813536525.db2.gz IDYKOLDLPSCDLC-VIFPVBQESA-N 1 2 266.732 0.511 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)COC)C1 ZINC001270630012 813854000 /nfs/dbraw/zinc/85/40/00/813854000.db2.gz VVRHKRDCHOHXRT-RYUDHWBXSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)COC)C1 ZINC001270630012 813854007 /nfs/dbraw/zinc/85/40/07/813854007.db2.gz VVRHKRDCHOHXRT-RYUDHWBXSA-N 1 2 256.346 0.272 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001270628611 813854197 /nfs/dbraw/zinc/85/41/97/813854197.db2.gz HFENJRMYLPNLAJ-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001270628611 813854207 /nfs/dbraw/zinc/85/42/07/813854207.db2.gz HFENJRMYLPNLAJ-OCCSQVGLSA-N 1 2 282.384 0.805 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@H](OC)C1 ZINC001211851261 813856431 /nfs/dbraw/zinc/85/64/31/813856431.db2.gz JOGPDRDREBSXKF-CHWSQXEVSA-N 1 2 268.357 0.747 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@H](OC)C1 ZINC001211851261 813856438 /nfs/dbraw/zinc/85/64/38/813856438.db2.gz JOGPDRDREBSXKF-CHWSQXEVSA-N 1 2 268.357 0.747 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc[nH]2)C1 ZINC001270701682 813898354 /nfs/dbraw/zinc/89/83/54/813898354.db2.gz XEYIGSOECGVJFC-CYBMUJFWSA-N 1 2 263.341 0.560 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccc[nH]2)C1 ZINC001270701682 813898359 /nfs/dbraw/zinc/89/83/59/813898359.db2.gz XEYIGSOECGVJFC-CYBMUJFWSA-N 1 2 263.341 0.560 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(CCOC)CC2)C1 ZINC001271297549 814369428 /nfs/dbraw/zinc/36/94/28/814369428.db2.gz HZVBMHQFTVCYJY-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](CCC)OC)C1 ZINC001271335573 814383891 /nfs/dbraw/zinc/38/38/91/814383891.db2.gz KPYARLWHIYWGAG-LBPRGKRZSA-N 1 2 270.373 0.541 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2nc(C)oc2C)C1 ZINC001271375230 814396648 /nfs/dbraw/zinc/39/66/48/814396648.db2.gz OCSLCBBMHVZKAI-UHFFFAOYSA-N 1 2 277.324 0.091 20 30 CCEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001271393130 814402984 /nfs/dbraw/zinc/40/29/84/814402984.db2.gz KHHFAXYCNHJSSG-GFCCVEGCSA-N 1 2 264.369 0.609 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001280399343 814416732 /nfs/dbraw/zinc/41/67/32/814416732.db2.gz LUERWCYHQAGGHW-YPMHNXCESA-N 1 2 265.357 0.763 20 30 CCEDLO C[C@H](C#N)C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001280399343 814416736 /nfs/dbraw/zinc/41/67/36/814416736.db2.gz LUERWCYHQAGGHW-YPMHNXCESA-N 1 2 265.357 0.763 20 30 CCEDLO C=CCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001280433986 814649725 /nfs/dbraw/zinc/64/97/25/814649725.db2.gz HCDNVRFCBFQISK-GFCCVEGCSA-N 1 2 292.387 0.647 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H]1C ZINC001088537980 814858920 /nfs/dbraw/zinc/85/89/20/814858920.db2.gz ABWLMBFMPNNUSS-KOLCDFICSA-N 1 2 297.790 0.947 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H]1C ZINC001088537980 814858926 /nfs/dbraw/zinc/85/89/26/814858926.db2.gz ABWLMBFMPNNUSS-KOLCDFICSA-N 1 2 297.790 0.947 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105806276 815856667 /nfs/dbraw/zinc/85/66/67/815856667.db2.gz TXONLYBCFUPEOW-RISCZKNCSA-N 1 2 294.355 0.001 20 30 CCEDLO C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)O1 ZINC001030234816 815915942 /nfs/dbraw/zinc/91/59/42/815915942.db2.gz HXURYUMHBIKZOG-HZMBPMFUSA-N 1 2 288.351 0.868 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)cnn2C)C1 ZINC001030319992 815975242 /nfs/dbraw/zinc/97/52/42/815975242.db2.gz DFBXEFXUFBQXCD-UHFFFAOYSA-N 1 2 266.732 0.511 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001030357605 815993556 /nfs/dbraw/zinc/99/35/56/815993556.db2.gz JWJPLWVQHGMCAO-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001030416383 816026005 /nfs/dbraw/zinc/02/60/05/816026005.db2.gz HOIDYGTVSDMWSV-UHFFFAOYSA-N 1 2 266.732 0.809 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030544274 816099596 /nfs/dbraw/zinc/09/95/96/816099596.db2.gz HGYAWHZFPSPDSD-LLVKDONJSA-N 1 2 260.341 0.432 20 30 CCEDLO C=C(Cl)CN1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030552245 816102425 /nfs/dbraw/zinc/10/24/25/816102425.db2.gz GNOGQQRZUMKUQX-NSHDSACASA-N 1 2 294.786 0.998 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001030602485 816141643 /nfs/dbraw/zinc/14/16/43/816141643.db2.gz UWFFJOQSMUJWLM-UHFFFAOYSA-N 1 2 261.325 0.375 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(N)=O ZINC001099064869 816192875 /nfs/dbraw/zinc/19/28/75/816192875.db2.gz IRIYWWRGOSZYQC-ZDUSSCGKSA-N 1 2 293.411 0.738 20 30 CCEDLO CC(C)C#CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(N)=O ZINC001099064869 816192879 /nfs/dbraw/zinc/19/28/79/816192879.db2.gz IRIYWWRGOSZYQC-ZDUSSCGKSA-N 1 2 293.411 0.738 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(Cl)n2C)C1 ZINC001030677475 816207920 /nfs/dbraw/zinc/20/79/20/816207920.db2.gz SWKBMADJRJZABK-UHFFFAOYSA-N 1 2 266.732 0.511 20 30 CCEDLO C=CCC[NH+]1CC(NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001030680457 816208610 /nfs/dbraw/zinc/20/86/10/816208610.db2.gz LBMXPVMOANTPTF-UHFFFAOYSA-N 1 2 277.324 0.374 20 30 CCEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H]1C ZINC001089050703 816227116 /nfs/dbraw/zinc/22/71/16/816227116.db2.gz OAHWZVNIZZUETG-FRRDWIJNSA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H]1C ZINC001089050703 816227122 /nfs/dbraw/zinc/22/71/22/816227122.db2.gz OAHWZVNIZZUETG-FRRDWIJNSA-N 1 2 298.408 0.166 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(OCC)n2)C1 ZINC001030712990 816244020 /nfs/dbraw/zinc/24/40/20/816244020.db2.gz IXDBPKYKFVWZST-UHFFFAOYSA-N 1 2 287.363 0.847 20 30 CCEDLO CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001045987794 816255382 /nfs/dbraw/zinc/25/53/82/816255382.db2.gz BUEKWCPWOAJPAT-LBPRGKRZSA-N 1 2 250.346 0.138 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001030762217 816272913 /nfs/dbraw/zinc/27/29/13/816272913.db2.gz WZJYODZFLCFAFN-UHFFFAOYSA-N 1 2 274.368 0.403 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001030771318 816278824 /nfs/dbraw/zinc/27/88/24/816278824.db2.gz ZNMIVWQFMRKYIF-UHFFFAOYSA-N 1 2 260.341 0.800 20 30 CCEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOC)C2)cc1 ZINC001030775767 816281153 /nfs/dbraw/zinc/28/11/53/816281153.db2.gz ZUCDNULMEZAKBZ-UHFFFAOYSA-N 1 2 258.321 0.728 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001030775096 816281584 /nfs/dbraw/zinc/28/15/84/816281584.db2.gz XLYHCYJNCRKCTN-UHFFFAOYSA-N 1 2 297.362 0.783 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001030831649 816326548 /nfs/dbraw/zinc/32/65/48/816326548.db2.gz LRFXEXSBRRPUJS-HNNXBMFYSA-N 1 2 293.411 0.616 20 30 CCEDLO C=CCN1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001030831649 816326553 /nfs/dbraw/zinc/32/65/53/816326553.db2.gz LRFXEXSBRRPUJS-HNNXBMFYSA-N 1 2 293.411 0.616 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001030833663 816328953 /nfs/dbraw/zinc/32/89/53/816328953.db2.gz VWUKEEVZHRJDLF-HNNXBMFYSA-N 1 2 291.395 0.063 20 30 CCEDLO C#CCN1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001030833663 816328959 /nfs/dbraw/zinc/32/89/59/816328959.db2.gz VWUKEEVZHRJDLF-HNNXBMFYSA-N 1 2 291.395 0.063 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001272348813 816349227 /nfs/dbraw/zinc/34/92/27/816349227.db2.gz XHSPBIFXXQMUCC-UONOGXRCSA-N 1 2 294.395 0.799 20 30 CCEDLO C#CC(C)(C)C(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001272348813 816349234 /nfs/dbraw/zinc/34/92/34/816349234.db2.gz XHSPBIFXXQMUCC-UONOGXRCSA-N 1 2 294.395 0.799 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001083684862 816369554 /nfs/dbraw/zinc/36/95/54/816369554.db2.gz PKBUYVDUIJHPBV-NEPJUHHUSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001083684862 816369558 /nfs/dbraw/zinc/36/95/58/816369558.db2.gz PKBUYVDUIJHPBV-NEPJUHHUSA-N 1 2 289.360 0.638 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001233769436 816407686 /nfs/dbraw/zinc/40/76/86/816407686.db2.gz AYJUJQMKEWDMLD-ZIAGYGMSSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001233769436 816407692 /nfs/dbraw/zinc/40/76/92/816407692.db2.gz AYJUJQMKEWDMLD-ZIAGYGMSSA-N 1 2 293.411 0.847 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001030921235 816438202 /nfs/dbraw/zinc/43/82/02/816438202.db2.gz AYWXUQJLFWOHKS-YPMHNXCESA-N 1 2 250.342 0.625 20 30 CCEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001030937670 816467207 /nfs/dbraw/zinc/46/72/07/816467207.db2.gz SHOZNDFTQSAIBU-GFCCVEGCSA-N 1 2 265.357 0.422 20 30 CCEDLO O=C(Cc1c[nH]c[nH+]1)NC1CN(CC#Cc2ccccc2)C1 ZINC001031017231 816567727 /nfs/dbraw/zinc/56/77/27/816567727.db2.gz SFNZMJHIFIPLEV-UHFFFAOYSA-N 1 2 294.358 0.804 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001234247035 816571241 /nfs/dbraw/zinc/57/12/41/816571241.db2.gz VIYVEYDWXZELHA-LBPRGKRZSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001234247035 816571247 /nfs/dbraw/zinc/57/12/47/816571247.db2.gz VIYVEYDWXZELHA-LBPRGKRZSA-N 1 2 256.321 0.529 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCC=C)nn2)C1 ZINC001031079121 816629196 /nfs/dbraw/zinc/62/91/96/816629196.db2.gz DHXSZLPCMBTRTR-UHFFFAOYSA-N 1 2 273.340 0.292 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031088122 816634603 /nfs/dbraw/zinc/63/46/03/816634603.db2.gz KYVNJXYBVQDULK-UBHSHLNASA-N 1 2 282.384 0.803 20 30 CCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCOC)C1 ZINC001031088178 816635011 /nfs/dbraw/zinc/63/50/11/816635011.db2.gz MWFSOMLFXOAEBH-STQMWFEESA-N 1 2 268.357 0.414 20 30 CCEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046594537 816662519 /nfs/dbraw/zinc/66/25/19/816662519.db2.gz JIDIHNSTZIUWPI-AWEZNQCLSA-N 1 2 276.340 0.343 20 30 CCEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046594537 816662520 /nfs/dbraw/zinc/66/25/20/816662520.db2.gz JIDIHNSTZIUWPI-AWEZNQCLSA-N 1 2 276.340 0.343 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001031128299 816675890 /nfs/dbraw/zinc/67/58/90/816675890.db2.gz KJFMEPCXBVLFKP-UHFFFAOYSA-N 1 2 286.335 0.477 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2cn3nccc3nc2C)C1 ZINC001031170123 816733228 /nfs/dbraw/zinc/73/32/28/816733228.db2.gz LNKQOVHWTOMZOP-UHFFFAOYSA-N 1 2 283.335 0.475 20 30 CCEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106427024 816767375 /nfs/dbraw/zinc/76/73/75/816767375.db2.gz WVVWZQHIIOUAHX-SNVBAGLBSA-N 1 2 299.338 0.043 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001031211131 816814283 /nfs/dbraw/zinc/81/42/83/816814283.db2.gz FLFSJXUZCJVWEF-GFCCVEGCSA-N 1 2 277.368 0.069 20 30 CCEDLO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106599025 816820087 /nfs/dbraw/zinc/82/00/87/816820087.db2.gz VYJKGTLHXVSYKA-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO C#Cc1ccc(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)cn1 ZINC001031279194 816923311 /nfs/dbraw/zinc/92/33/11/816923311.db2.gz QXKUEDMNYAYGHB-UHFFFAOYSA-N 1 2 295.346 0.411 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2F)[C@@H](O)C1 ZINC001083747015 816967348 /nfs/dbraw/zinc/96/73/48/816967348.db2.gz HXTHUSUAZBTRNM-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2F)[C@@H](O)C1 ZINC001083747015 816967356 /nfs/dbraw/zinc/96/73/56/816967356.db2.gz HXTHUSUAZBTRNM-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001031477879 817074440 /nfs/dbraw/zinc/07/44/40/817074440.db2.gz XLPRVMFKIJINCN-UHFFFAOYSA-N 1 2 296.334 0.100 20 30 CCEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212245987 817201540 /nfs/dbraw/zinc/20/15/40/817201540.db2.gz IVJYBHXPKYVHHV-MGPQQGTHSA-N 1 2 282.359 0.963 20 30 CCEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212245987 817201543 /nfs/dbraw/zinc/20/15/43/817201543.db2.gz IVJYBHXPKYVHHV-MGPQQGTHSA-N 1 2 282.359 0.963 20 30 CCEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001031712678 817276746 /nfs/dbraw/zinc/27/67/46/817276746.db2.gz GTHVHQQRRQMIAY-GFCCVEGCSA-N 1 2 299.802 0.655 20 30 CCEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](O)C1 ZINC001083763966 817286236 /nfs/dbraw/zinc/28/62/36/817286236.db2.gz KRPLOUZXAMHMGA-MNOVXSKESA-N 1 2 265.313 0.198 20 30 CCEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](O)C1 ZINC001083763966 817286245 /nfs/dbraw/zinc/28/62/45/817286245.db2.gz KRPLOUZXAMHMGA-MNOVXSKESA-N 1 2 265.313 0.198 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124156588 817319275 /nfs/dbraw/zinc/31/92/75/817319275.db2.gz AAEFKXPWPGSYEX-GFCCVEGCSA-N 1 2 278.356 0.982 20 30 CCEDLO Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001124191235 817330041 /nfs/dbraw/zinc/33/00/41/817330041.db2.gz LDUKZKSUTYGTHJ-MWLCHTKSSA-N 1 2 277.328 0.176 20 30 CCEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001031825078 817397216 /nfs/dbraw/zinc/39/72/16/817397216.db2.gz FHGKVZJLJOCZTL-LBPRGKRZSA-N 1 2 286.397 0.045 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@@H](O)C1 ZINC001083771439 817480683 /nfs/dbraw/zinc/48/06/83/817480683.db2.gz ZGYKGRAMBCIPTQ-TUAOUCFPSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@@H](O)C1 ZINC001083771439 817480686 /nfs/dbraw/zinc/48/06/86/817480686.db2.gz ZGYKGRAMBCIPTQ-TUAOUCFPSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001047421358 817481749 /nfs/dbraw/zinc/48/17/49/817481749.db2.gz CIKKZNLRTGXOHV-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001047421358 817481754 /nfs/dbraw/zinc/48/17/54/817481754.db2.gz CIKKZNLRTGXOHV-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001124635918 817529921 /nfs/dbraw/zinc/52/99/21/817529921.db2.gz DCAKEIKSYVAATQ-UHFFFAOYSA-N 1 2 268.317 0.388 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001077580741 817649362 /nfs/dbraw/zinc/64/93/62/817649362.db2.gz IKAIKSGJHFOBGS-CHWSQXEVSA-N 1 2 273.336 0.300 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001077580741 817649363 /nfs/dbraw/zinc/64/93/63/817649363.db2.gz IKAIKSGJHFOBGS-CHWSQXEVSA-N 1 2 273.336 0.300 20 30 CCEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169480 817799227 /nfs/dbraw/zinc/79/92/27/817799227.db2.gz KIJSVDCWSJSVEW-UHFFFAOYSA-N 1 2 287.367 0.596 20 30 CCEDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000691284959 817838201 /nfs/dbraw/zinc/83/82/01/817838201.db2.gz PKAUDNCZOQDKPM-VXGBXAGGSA-N 1 2 271.386 0.503 20 30 CCEDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000691284959 817838210 /nfs/dbraw/zinc/83/82/10/817838210.db2.gz PKAUDNCZOQDKPM-VXGBXAGGSA-N 1 2 271.386 0.503 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1C ZINC001032342918 817928619 /nfs/dbraw/zinc/92/86/19/817928619.db2.gz DHIFUZKRXOBZST-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1C ZINC001032342918 817928623 /nfs/dbraw/zinc/92/86/23/817928623.db2.gz DHIFUZKRXOBZST-STQMWFEESA-N 1 2 255.321 0.922 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107738467 817976142 /nfs/dbraw/zinc/97/61/42/817976142.db2.gz YCUJJPVFGOJQAP-OAHLLOKOSA-N 1 2 290.367 0.114 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cccn2)C1 ZINC001107738467 817976144 /nfs/dbraw/zinc/97/61/44/817976144.db2.gz YCUJJPVFGOJQAP-OAHLLOKOSA-N 1 2 290.367 0.114 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCC)C1 ZINC001107762808 817992325 /nfs/dbraw/zinc/99/23/25/817992325.db2.gz WUMATWFMCNOHHX-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCC)C1 ZINC001107762808 817992330 /nfs/dbraw/zinc/99/23/30/817992330.db2.gz WUMATWFMCNOHHX-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766352 817993720 /nfs/dbraw/zinc/99/37/20/817993720.db2.gz QPENQVNIQOUFBX-UKRRQHHQSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCO2)C1 ZINC001107766352 817993724 /nfs/dbraw/zinc/99/37/24/817993724.db2.gz QPENQVNIQOUFBX-UKRRQHHQSA-N 1 2 282.384 0.949 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnsn2)C1 ZINC001107771864 817999893 /nfs/dbraw/zinc/99/98/93/817999893.db2.gz ZYACGNRAYTXWRQ-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnsn2)C1 ZINC001107771864 817999897 /nfs/dbraw/zinc/99/98/97/817999897.db2.gz ZYACGNRAYTXWRQ-GFCCVEGCSA-N 1 2 282.369 0.545 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107794129 818013045 /nfs/dbraw/zinc/01/30/45/818013045.db2.gz WZCNNEXMFAKVPK-UKRRQHHQSA-N 1 2 280.368 0.253 20 30 CCEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001107794129 818013055 /nfs/dbraw/zinc/01/30/55/818013055.db2.gz WZCNNEXMFAKVPK-UKRRQHHQSA-N 1 2 280.368 0.253 20 30 CCEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)no1 ZINC001032366199 818014952 /nfs/dbraw/zinc/01/49/52/818014952.db2.gz ZPUYYWUJKLXBOD-UWVGGRQHSA-N 1 2 263.297 0.768 20 30 CCEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)no1 ZINC001032366199 818014961 /nfs/dbraw/zinc/01/49/61/818014961.db2.gz ZPUYYWUJKLXBOD-UWVGGRQHSA-N 1 2 263.297 0.768 20 30 CCEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799394 818017375 /nfs/dbraw/zinc/01/73/75/818017375.db2.gz DQEZSRJLEAXHMM-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)OC)C1 ZINC001107799394 818017382 /nfs/dbraw/zinc/01/73/82/818017382.db2.gz DQEZSRJLEAXHMM-ZFWWWQNUSA-N 1 2 282.384 0.642 20 30 CCEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001128242770 818129012 /nfs/dbraw/zinc/12/90/12/818129012.db2.gz WCILLIJPBHPFHM-UHFFFAOYSA-N 1 2 295.387 0.944 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CC1CC1)CC2 ZINC001128265268 818138516 /nfs/dbraw/zinc/13/85/16/818138516.db2.gz WNPNAVHONRHEFY-LLVKDONJSA-N 1 2 287.367 0.885 20 30 CCEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CC1CC1)CC2 ZINC001128265268 818138522 /nfs/dbraw/zinc/13/85/22/818138522.db2.gz WNPNAVHONRHEFY-LLVKDONJSA-N 1 2 287.367 0.885 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ccc(C)cc2=O)C1 ZINC001043990354 818209653 /nfs/dbraw/zinc/20/96/53/818209653.db2.gz DHOGARYDJBVOQC-UHFFFAOYSA-N 1 2 289.379 0.875 20 30 CCEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032934372 818376571 /nfs/dbraw/zinc/37/65/71/818376571.db2.gz MALUJSYBMZSNFH-SECBINFHSA-N 1 2 252.343 0.870 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC001032934372 818376574 /nfs/dbraw/zinc/37/65/74/818376574.db2.gz MALUJSYBMZSNFH-SECBINFHSA-N 1 2 252.343 0.870 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218481 818659463 /nfs/dbraw/zinc/65/94/63/818659463.db2.gz YHNQEMYUFRGKOW-VIFPVBQESA-N 1 2 269.736 0.704 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218481 818659466 /nfs/dbraw/zinc/65/94/66/818659466.db2.gz YHNQEMYUFRGKOW-VIFPVBQESA-N 1 2 269.736 0.704 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(OC)n2)C1 ZINC001108099339 818685729 /nfs/dbraw/zinc/68/57/29/818685729.db2.gz JSBRHWRBVLXASP-CQSZACIVSA-N 1 2 295.339 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(OC)n2)C1 ZINC001108099339 818685737 /nfs/dbraw/zinc/68/57/37/818685737.db2.gz JSBRHWRBVLXASP-CQSZACIVSA-N 1 2 295.339 0.690 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](O)C1 ZINC001083854156 818779093 /nfs/dbraw/zinc/77/90/93/818779093.db2.gz FRACQFVWPWLOAX-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](O)C1 ZINC001083854156 818779100 /nfs/dbraw/zinc/77/91/00/818779100.db2.gz FRACQFVWPWLOAX-NEPJUHHUSA-N 1 2 291.351 0.344 20 30 CCEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033911591 818989312 /nfs/dbraw/zinc/98/93/12/818989312.db2.gz BRSKTVRBPYYSLH-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001033911591 818989314 /nfs/dbraw/zinc/98/93/14/818989314.db2.gz BRSKTVRBPYYSLH-NSHDSACASA-N 1 2 261.329 0.283 20 30 CCEDLO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225391 819134260 /nfs/dbraw/zinc/13/42/60/819134260.db2.gz IRRPGKGOLLLLJZ-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[N@H+]1CCCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001034225391 819134262 /nfs/dbraw/zinc/13/42/62/819134262.db2.gz IRRPGKGOLLLLJZ-LBPRGKRZSA-N 1 2 286.397 0.188 20 30 CCEDLO N#Cc1cc2ccccc2nc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168756794 819303833 /nfs/dbraw/zinc/30/38/33/819303833.db2.gz RZGNWRXFLAPSQH-UHFFFAOYSA-N 1 2 266.264 0.851 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034887060 819355391 /nfs/dbraw/zinc/35/53/91/819355391.db2.gz QHZJGVYEDXWLLN-GXSJLCMTSA-N 1 2 279.369 0.778 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035297642 819445101 /nfs/dbraw/zinc/44/51/01/819445101.db2.gz DHZMKXHXRZSHRX-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035297642 819445106 /nfs/dbraw/zinc/44/51/06/819445106.db2.gz DHZMKXHXRZSHRX-CQSZACIVSA-N 1 2 287.363 0.844 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035320071 819468666 /nfs/dbraw/zinc/46/86/66/819468666.db2.gz WKEVWWNUPWGQEJ-NWDGAFQWSA-N 1 2 254.330 0.026 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001035320071 819468668 /nfs/dbraw/zinc/46/86/68/819468668.db2.gz WKEVWWNUPWGQEJ-NWDGAFQWSA-N 1 2 254.330 0.026 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363774 819502856 /nfs/dbraw/zinc/50/28/56/819502856.db2.gz FOWCQCYXERWKKE-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001035363774 819502861 /nfs/dbraw/zinc/50/28/61/819502861.db2.gz FOWCQCYXERWKKE-LBPRGKRZSA-N 1 2 276.340 0.172 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404591 819513950 /nfs/dbraw/zinc/51/39/50/819513950.db2.gz MWSWULSYICQJPF-SNVBAGLBSA-N 1 2 280.328 0.040 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001035404591 819513953 /nfs/dbraw/zinc/51/39/53/819513953.db2.gz MWSWULSYICQJPF-SNVBAGLBSA-N 1 2 280.328 0.040 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncn2C)C1 ZINC001035432484 819524557 /nfs/dbraw/zinc/52/45/57/819524557.db2.gz VJOMCXPFCBCYOL-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncn2C)C1 ZINC001035432484 819524561 /nfs/dbraw/zinc/52/45/61/819524561.db2.gz VJOMCXPFCBCYOL-LBPRGKRZSA-N 1 2 278.356 0.427 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001035444192 819526271 /nfs/dbraw/zinc/52/62/71/819526271.db2.gz MUYDKDOJGHAHJC-JTQLQIEISA-N 1 2 298.774 0.690 20 30 CCEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001035444192 819526276 /nfs/dbraw/zinc/52/62/76/819526276.db2.gz MUYDKDOJGHAHJC-JTQLQIEISA-N 1 2 298.774 0.690 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035482619 819532983 /nfs/dbraw/zinc/53/29/83/819532983.db2.gz YYPQIMCJRLDXPJ-JTQLQIEISA-N 1 2 297.380 0.855 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC001035482619 819532988 /nfs/dbraw/zinc/53/29/88/819532988.db2.gz YYPQIMCJRLDXPJ-JTQLQIEISA-N 1 2 297.380 0.855 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001035467303 819539360 /nfs/dbraw/zinc/53/93/60/819539360.db2.gz UFGYWIHGXAGCED-CYBMUJFWSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001035467303 819539368 /nfs/dbraw/zinc/53/93/68/819539368.db2.gz UFGYWIHGXAGCED-CYBMUJFWSA-N 1 2 292.383 0.654 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001035570733 819560476 /nfs/dbraw/zinc/56/04/76/819560476.db2.gz VZRMHZAFJYCPAX-GFCCVEGCSA-N 1 2 290.367 0.904 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001035570733 819560478 /nfs/dbraw/zinc/56/04/78/819560478.db2.gz VZRMHZAFJYCPAX-GFCCVEGCSA-N 1 2 290.367 0.904 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035559550 819570608 /nfs/dbraw/zinc/57/06/08/819570608.db2.gz LXRKPTPXVAAXDH-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035559550 819570611 /nfs/dbraw/zinc/57/06/11/819570611.db2.gz LXRKPTPXVAAXDH-CYBMUJFWSA-N 1 2 291.351 0.745 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001035582015 819575458 /nfs/dbraw/zinc/57/54/58/819575458.db2.gz TVZIUFFJNNQDRQ-GFCCVEGCSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001035582015 819575462 /nfs/dbraw/zinc/57/54/62/819575462.db2.gz TVZIUFFJNNQDRQ-GFCCVEGCSA-N 1 2 291.351 0.002 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035590458 819578954 /nfs/dbraw/zinc/57/89/54/819578954.db2.gz VRGMLEVABDJNOM-LLVKDONJSA-N 1 2 278.356 0.589 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001035590458 819578960 /nfs/dbraw/zinc/57/89/60/819578960.db2.gz VRGMLEVABDJNOM-LLVKDONJSA-N 1 2 278.356 0.589 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035728827 819616109 /nfs/dbraw/zinc/61/61/09/819616109.db2.gz QJCURSZDBSIXMK-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO N#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035728827 819616114 /nfs/dbraw/zinc/61/61/14/819616114.db2.gz QJCURSZDBSIXMK-CHWSQXEVSA-N 1 2 299.378 0.961 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](O)C1 ZINC001083884297 820063844 /nfs/dbraw/zinc/06/38/44/820063844.db2.gz VTPKNFIQHKRBGG-MNOVXSKESA-N 1 2 278.308 0.086 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](O)C1 ZINC001083884297 820063851 /nfs/dbraw/zinc/06/38/51/820063851.db2.gz VTPKNFIQHKRBGG-MNOVXSKESA-N 1 2 278.308 0.086 20 30 CCEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001064310931 820194327 /nfs/dbraw/zinc/19/43/27/820194327.db2.gz SZWUAXRMYDEFDW-LLVKDONJSA-N 1 2 289.339 0.198 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCCC3)[C@@H](O)C1 ZINC001083920693 820265208 /nfs/dbraw/zinc/26/52/08/820265208.db2.gz OJFXTDRGESICFG-UPJWGTAASA-N 1 2 262.353 0.361 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CCCC3)[C@@H](O)C1 ZINC001083920693 820265240 /nfs/dbraw/zinc/26/52/40/820265240.db2.gz OJFXTDRGESICFG-UPJWGTAASA-N 1 2 262.353 0.361 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](O)C1 ZINC001083920848 820267064 /nfs/dbraw/zinc/26/70/64/820267064.db2.gz XCYUECADOXEECY-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](O)C1 ZINC001083920848 820267073 /nfs/dbraw/zinc/26/70/73/820267073.db2.gz XCYUECADOXEECY-NEPJUHHUSA-N 1 2 289.335 0.350 20 30 CCEDLO C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001080119752 820513722 /nfs/dbraw/zinc/51/37/22/820513722.db2.gz JKEWIYOJDCBWLG-VXGBXAGGSA-N 1 2 283.335 0.908 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001081282958 820733030 /nfs/dbraw/zinc/73/30/30/820733030.db2.gz UOYSAMZXEBUOOR-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001081282958 820733036 /nfs/dbraw/zinc/73/30/36/820733036.db2.gz UOYSAMZXEBUOOR-ZIAGYGMSSA-N 1 2 276.311 0.888 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001081833829 820840339 /nfs/dbraw/zinc/84/03/39/820840339.db2.gz FBAXFQFHDNYIHK-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001081833829 820840347 /nfs/dbraw/zinc/84/03/47/820840347.db2.gz FBAXFQFHDNYIHK-VXGBXAGGSA-N 1 2 277.324 0.354 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@H](OC)C1 ZINC001082200077 820912577 /nfs/dbraw/zinc/91/25/77/820912577.db2.gz PPJJJWJEHWMKMX-TZMCWYRMSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@H](OC)C1 ZINC001082200077 820912581 /nfs/dbraw/zinc/91/25/81/820912581.db2.gz PPJJJWJEHWMKMX-TZMCWYRMSA-N 1 2 291.351 0.860 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@H](OC)C1 ZINC001082209453 820917560 /nfs/dbraw/zinc/91/75/60/820917560.db2.gz OCBJOHZMVDROKM-UKRRQHHQSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@H](OC)C1 ZINC001082209453 820917567 /nfs/dbraw/zinc/91/75/67/820917567.db2.gz OCBJOHZMVDROKM-UKRRQHHQSA-N 1 2 298.346 0.397 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CC3)[C@H]2C1 ZINC001083038228 821123337 /nfs/dbraw/zinc/12/33/37/821123337.db2.gz YEFSLMKTNHWUMK-FPMFFAJLSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CC3)[C@H]2C1 ZINC001083038228 821123343 /nfs/dbraw/zinc/12/33/43/821123343.db2.gz YEFSLMKTNHWUMK-FPMFFAJLSA-N 1 2 262.353 0.577 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cn3)[C@H]2C1 ZINC001083058199 821132261 /nfs/dbraw/zinc/13/22/61/821132261.db2.gz USWCWVIRWWOSOW-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cn3)[C@H]2C1 ZINC001083058199 821132265 /nfs/dbraw/zinc/13/22/65/821132265.db2.gz USWCWVIRWWOSOW-UONOGXRCSA-N 1 2 289.310 0.379 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3OCC[C@H]3CC)[C@H]2C1 ZINC001083110787 821133677 /nfs/dbraw/zinc/13/36/77/821133677.db2.gz UUVKADSMJCJQFY-BARDWOONSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3OCC[C@H]3CC)[C@H]2C1 ZINC001083110787 821133681 /nfs/dbraw/zinc/13/36/81/821133681.db2.gz UUVKADSMJCJQFY-BARDWOONSA-N 1 2 292.379 0.346 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(F)(F)C3)[C@H]2C1 ZINC001083101245 821139205 /nfs/dbraw/zinc/13/92/05/821139205.db2.gz WQRQKFDDNPAUCJ-RWMBFGLXSA-N 1 2 298.333 0.967 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(F)(F)C3)[C@H]2C1 ZINC001083101245 821139208 /nfs/dbraw/zinc/13/92/08/821139208.db2.gz WQRQKFDDNPAUCJ-RWMBFGLXSA-N 1 2 298.333 0.967 20 30 CCEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccon3)[C@H]2C1 ZINC001083142578 821144770 /nfs/dbraw/zinc/14/47/70/821144770.db2.gz QEYJOYZAHSPQDR-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccon3)[C@H]2C1 ZINC001083142578 821144774 /nfs/dbraw/zinc/14/47/74/821144774.db2.gz QEYJOYZAHSPQDR-UONOGXRCSA-N 1 2 289.335 0.152 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2Cl)[C@@H](O)C1 ZINC001083983246 821168325 /nfs/dbraw/zinc/16/83/25/821168325.db2.gz WTVWKTIDJKNPHC-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2Cl)[C@@H](O)C1 ZINC001083983246 821168330 /nfs/dbraw/zinc/16/83/30/821168330.db2.gz WTVWKTIDJKNPHC-NEPJUHHUSA-N 1 2 296.729 0.887 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001084015061 821182916 /nfs/dbraw/zinc/18/29/16/821182916.db2.gz KVNKNAPUFADEAM-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001084015061 821182918 /nfs/dbraw/zinc/18/29/18/821182918.db2.gz KVNKNAPUFADEAM-OLZOCXBDSA-N 1 2 280.274 0.373 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001231115514 821494617 /nfs/dbraw/zinc/49/46/17/821494617.db2.gz VTIFCRMQPTYBDK-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001231115514 821494622 /nfs/dbraw/zinc/49/46/22/821494622.db2.gz VTIFCRMQPTYBDK-CYBMUJFWSA-N 1 2 279.384 0.718 20 30 CCEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1C#N ZINC000712278151 821495248 /nfs/dbraw/zinc/49/52/48/821495248.db2.gz WMJXNHVHJNGSIE-SNVBAGLBSA-N 1 2 280.353 0.326 20 30 CCEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccnc1C#N ZINC000712278151 821495252 /nfs/dbraw/zinc/49/52/52/821495252.db2.gz WMJXNHVHJNGSIE-SNVBAGLBSA-N 1 2 280.353 0.326 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001085500193 821747153 /nfs/dbraw/zinc/74/71/53/821747153.db2.gz VNHOYIUOQSJEAQ-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001085500193 821747154 /nfs/dbraw/zinc/74/71/54/821747154.db2.gz VNHOYIUOQSJEAQ-ZDUSSCGKSA-N 1 2 272.352 0.955 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085584726 821823747 /nfs/dbraw/zinc/82/37/47/821823747.db2.gz LZISORLXSSKOQA-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001085584726 821823756 /nfs/dbraw/zinc/82/37/56/821823756.db2.gz LZISORLXSSKOQA-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085599458 821842330 /nfs/dbraw/zinc/84/23/30/821842330.db2.gz RQVRGXGEUQWFEZ-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ncn1 ZINC001085599458 821842340 /nfs/dbraw/zinc/84/23/40/821842340.db2.gz RQVRGXGEUQWFEZ-LLVKDONJSA-N 1 2 274.324 0.265 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(N(C)C)c1 ZINC001085852881 821980818 /nfs/dbraw/zinc/98/08/18/821980818.db2.gz IOKKXVBFTHWHSD-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(N(C)C)c1 ZINC001085852881 821980823 /nfs/dbraw/zinc/98/08/23/821980823.db2.gz IOKKXVBFTHWHSD-CQSZACIVSA-N 1 2 286.379 0.927 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085884371 821999004 /nfs/dbraw/zinc/99/90/04/821999004.db2.gz AOBZQDICGVATOL-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccn2n1 ZINC001085884371 821999012 /nfs/dbraw/zinc/99/90/12/821999012.db2.gz AOBZQDICGVATOL-LBPRGKRZSA-N 1 2 283.335 0.509 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897905 822006887 /nfs/dbraw/zinc/00/68/87/822006887.db2.gz QRTLHNDLGPPXIE-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC)nn1 ZINC001085897905 822006895 /nfs/dbraw/zinc/00/68/95/822006895.db2.gz QRTLHNDLGPPXIE-GFCCVEGCSA-N 1 2 275.356 0.468 20 30 CCEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001086092481 822109561 /nfs/dbraw/zinc/10/95/61/822109561.db2.gz UUAVLGOVPSUWOT-PHIMTYICSA-N 1 2 283.335 0.689 20 30 CCEDLO COCCc1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155848920 822262975 /nfs/dbraw/zinc/26/29/75/822262975.db2.gz ROFFITYNIYQXAQ-SNVBAGLBSA-N 1 2 295.343 0.014 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncn[nH]2)C1 ZINC001108287155 822303782 /nfs/dbraw/zinc/30/37/82/822303782.db2.gz MOOWYQSWZSNTPR-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncn[nH]2)C1 ZINC001108287155 822303790 /nfs/dbraw/zinc/30/37/90/822303790.db2.gz MOOWYQSWZSNTPR-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287155 822303797 /nfs/dbraw/zinc/30/37/97/822303797.db2.gz MOOWYQSWZSNTPR-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287155 822303806 /nfs/dbraw/zinc/30/38/06/822303806.db2.gz MOOWYQSWZSNTPR-ZDUSSCGKSA-N 1 2 279.344 0.202 20 30 CCEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nonc2C)C1 ZINC001108314020 822353805 /nfs/dbraw/zinc/35/38/05/822353805.db2.gz JEXQYMPOPJLMSG-CQSZACIVSA-N 1 2 294.355 0.314 20 30 CCEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2nonc2C)C1 ZINC001108314020 822353819 /nfs/dbraw/zinc/35/38/19/822353819.db2.gz JEXQYMPOPJLMSG-CQSZACIVSA-N 1 2 294.355 0.314 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114198454 837473168 /nfs/dbraw/zinc/47/31/68/837473168.db2.gz CBOVZXMLXNBYCY-IMRBUKKESA-N 1 2 290.392 0.888 20 30 CCEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114198454 837473172 /nfs/dbraw/zinc/47/31/72/837473172.db2.gz CBOVZXMLXNBYCY-IMRBUKKESA-N 1 2 290.392 0.888 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)no1 ZINC001114253746 837487284 /nfs/dbraw/zinc/48/72/84/837487284.db2.gz UMIGHDSBQQNQIC-FOLVSLTJSA-N 1 2 285.347 0.943 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)no1 ZINC001114253746 837487290 /nfs/dbraw/zinc/48/72/90/837487290.db2.gz UMIGHDSBQQNQIC-FOLVSLTJSA-N 1 2 285.347 0.943 20 30 CCEDLO C[C@@H](CNc1ccncc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337817 835975317 /nfs/dbraw/zinc/97/53/17/835975317.db2.gz NVNIJPQAWLWDMN-NSHDSACASA-N 1 2 298.350 0.648 20 30 CCEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964483 836088721 /nfs/dbraw/zinc/08/87/21/836088721.db2.gz TZFRQGNHEFLQTL-GUBZILKMSA-N 1 2 276.358 0.883 20 30 CCEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989747 836103499 /nfs/dbraw/zinc/10/34/99/836103499.db2.gz WQGSHVPFEXYJLW-AXFHLTTASA-N 1 2 254.286 0.586 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCOC)CC2=O)C1 ZINC001108496596 836319859 /nfs/dbraw/zinc/31/98/59/836319859.db2.gz NTFUXWHXHLBMSS-LBPRGKRZSA-N 1 2 295.383 0.000 20 30 CCEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)COCC)CC2=O)C1 ZINC001108503967 836364219 /nfs/dbraw/zinc/36/42/19/836364219.db2.gz MKROODCCXWMBAI-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCOC)C2)C1 ZINC001108517494 836397761 /nfs/dbraw/zinc/39/77/61/836397761.db2.gz JEHIWCZLEXOZAS-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCOCC)CC2=O)C1 ZINC001108522530 836414446 /nfs/dbraw/zinc/41/44/46/836414446.db2.gz ULXASSDIRGBSJT-GFCCVEGCSA-N 1 2 295.383 0.000 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](F)C(C)C)CC2=O)C1 ZINC001108560771 836450346 /nfs/dbraw/zinc/45/03/46/836450346.db2.gz MWARBJYAZTVQNW-RISCZKNCSA-N 1 2 297.374 0.568 20 30 CCEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCCC2(C1)OCCO2 ZINC001169935353 836482513 /nfs/dbraw/zinc/48/25/13/836482513.db2.gz XWEWELSILDOPIN-NEPJUHHUSA-N 1 2 251.330 0.469 20 30 CCEDLO C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cc[nH+]c1 ZINC001108624624 836498801 /nfs/dbraw/zinc/49/88/01/836498801.db2.gz UVOKPDGYFCORDZ-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccon1)C2 ZINC001108982007 836591649 /nfs/dbraw/zinc/59/16/49/836591649.db2.gz BVSOGQHXXPGVTC-XBFCOCLRSA-N 1 2 289.335 0.660 20 30 CCEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccon1)C2 ZINC001108982007 836591658 /nfs/dbraw/zinc/59/16/58/836591658.db2.gz BVSOGQHXXPGVTC-XBFCOCLRSA-N 1 2 289.335 0.660 20 30 CCEDLO CCCC#CC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001184274420 844190091 /nfs/dbraw/zinc/19/00/91/844190091.db2.gz OXRKDXSMVAJFND-GFCCVEGCSA-N 1 2 277.324 0.424 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109627399 836709006 /nfs/dbraw/zinc/70/90/06/836709006.db2.gz PUSVOLBKEQROCI-AGIUHOORSA-N 1 2 277.368 0.387 20 30 CCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109627399 836709009 /nfs/dbraw/zinc/70/90/09/836709009.db2.gz PUSVOLBKEQROCI-AGIUHOORSA-N 1 2 277.368 0.387 20 30 CCEDLO N#CCN1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090428430 836730501 /nfs/dbraw/zinc/73/05/01/836730501.db2.gz UTHHBICFJBDXRJ-DGCLKSJQSA-N 1 2 299.334 0.023 20 30 CCEDLO C=CCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112688520 836864052 /nfs/dbraw/zinc/86/40/52/836864052.db2.gz QKPUQMUOKDDGGD-UHFFFAOYSA-N 1 2 262.357 0.994 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC001112710478 836880948 /nfs/dbraw/zinc/88/09/48/836880948.db2.gz BWUVGHWMOZTUGL-KBPBESRZSA-N 1 2 295.383 0.486 20 30 CCEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112846505 836937862 /nfs/dbraw/zinc/93/78/62/836937862.db2.gz QRWQGANSVDKMBT-CQSZACIVSA-N 1 2 294.395 0.738 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001112910756 836961230 /nfs/dbraw/zinc/96/12/30/836961230.db2.gz KIWZJTAUOVVKGA-KBPBESRZSA-N 1 2 291.395 0.316 20 30 CCEDLO CC#CC[NH+]1CCN(C(=O)CN(C)C(=O)C(C)C)CC1 ZINC001112912626 836963712 /nfs/dbraw/zinc/96/37/12/836963712.db2.gz NFMPHFPNHQZWOM-UHFFFAOYSA-N 1 2 279.384 0.268 20 30 CCEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113082423 837017469 /nfs/dbraw/zinc/01/74/69/837017469.db2.gz RPDRKENNFWVOCD-MNOVXSKESA-N 1 2 299.338 0.550 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(COC)CCOC2)CC1 ZINC001113160481 837040308 /nfs/dbraw/zinc/04/03/08/837040308.db2.gz FLCVLWOKPNCSIV-CQSZACIVSA-N 1 2 268.357 0.370 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113229897 837061853 /nfs/dbraw/zinc/06/18/53/837061853.db2.gz SVQYCCYGRULMCL-UONOGXRCSA-N 1 2 291.399 0.881 20 30 CCEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001113214261 837063887 /nfs/dbraw/zinc/06/38/87/837063887.db2.gz RNUGHIUZHOHADK-UHFFFAOYSA-N 1 2 292.383 0.689 20 30 CCEDLO C=CC(NCC(=O)NCc1ccco1)=[NH+]COC ZINC001170380309 837330382 /nfs/dbraw/zinc/33/03/82/837330382.db2.gz OVTKZAMSCPTWEA-UHFFFAOYSA-N 1 2 251.286 0.674 20 30 CCEDLO CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131855777 838248982 /nfs/dbraw/zinc/24/89/82/838248982.db2.gz BRSJOMUBBVZSRF-QWHCGFSZSA-N 1 2 294.399 0.785 20 30 CCEDLO CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131855777 838248987 /nfs/dbraw/zinc/24/89/87/838248987.db2.gz BRSJOMUBBVZSRF-QWHCGFSZSA-N 1 2 294.399 0.785 20 30 CCEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1cnon1 ZINC001131870337 838249855 /nfs/dbraw/zinc/24/98/55/838249855.db2.gz QMBAIHQAPPZFFV-CYBMUJFWSA-N 1 2 282.344 0.504 20 30 CCEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(C)CC2)CC[C@@H]1C ZINC001132053720 838308061 /nfs/dbraw/zinc/30/80/61/838308061.db2.gz DIHZMMUVDYBPNR-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)CC[C@@H]1C ZINC001132053720 838308069 /nfs/dbraw/zinc/30/80/69/838308069.db2.gz DIHZMMUVDYBPNR-STQMWFEESA-N 1 2 291.395 0.505 20 30 CCEDLO CN1CC[N@H+](C)C[C@@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001185254563 844380516 /nfs/dbraw/zinc/38/05/16/844380516.db2.gz FEHYTAVTGOQAJR-GFCCVEGCSA-N 1 2 291.355 0.058 20 30 CCEDLO CN1CC[N@@H+](C)C[C@@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001185254563 844380530 /nfs/dbraw/zinc/38/05/30/844380530.db2.gz FEHYTAVTGOQAJR-GFCCVEGCSA-N 1 2 291.355 0.058 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090688496 839736937 /nfs/dbraw/zinc/73/69/37/839736937.db2.gz DHKUFUQDRVXSHE-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 ZINC001090688496 839736944 /nfs/dbraw/zinc/73/69/44/839736944.db2.gz DHKUFUQDRVXSHE-MNOVXSKESA-N 1 2 299.758 0.901 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001143716045 839870643 /nfs/dbraw/zinc/87/06/43/839870643.db2.gz BILCHIOLRAYXMS-GXFFZTMASA-N 1 2 266.728 0.997 20 30 CCEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001143716045 839870650 /nfs/dbraw/zinc/87/06/50/839870650.db2.gz BILCHIOLRAYXMS-GXFFZTMASA-N 1 2 266.728 0.997 20 30 CCEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(C#N)ccn2)C1 ZINC001186099379 844508850 /nfs/dbraw/zinc/50/88/50/844508850.db2.gz SAKQKIBYKYKEJD-NSHDSACASA-N 1 2 288.307 0.387 20 30 CCEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(C#N)ccn2)C1 ZINC001186099379 844508854 /nfs/dbraw/zinc/50/88/54/844508854.db2.gz SAKQKIBYKYKEJD-NSHDSACASA-N 1 2 288.307 0.387 20 30 CCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC)c1nccn12 ZINC001092337625 841009309 /nfs/dbraw/zinc/00/93/09/841009309.db2.gz CAAHALVRRLPSGR-LBPRGKRZSA-N 1 2 272.352 0.888 20 30 CCEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)F)c1nccn12 ZINC001092341148 841012238 /nfs/dbraw/zinc/01/22/38/841012238.db2.gz YLLAEEGHWNSFQT-SECBINFHSA-N 1 2 282.294 0.906 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC3(F)F)CC2=O)C1 ZINC001094735878 841714915 /nfs/dbraw/zinc/71/49/15/841714915.db2.gz VPPQPLZEASPEQD-MWLCHTKSSA-N 1 2 299.321 0.229 20 30 CCEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(C)CC3)CC2=O)C1 ZINC001094741080 841717192 /nfs/dbraw/zinc/71/71/92/841717192.db2.gz XQTYGBVIIXWKDF-LLVKDONJSA-N 1 2 277.368 0.374 20 30 CCEDLO C[C@H](CCCCNCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001176165222 842338787 /nfs/dbraw/zinc/33/87/87/842338787.db2.gz JLBFRYDMLRULDK-GFCCVEGCSA-N 1 2 277.372 0.751 20 30 CCEDLO C#CCOCC[NH+]1CCN(c2nnc(C)s2)CC1 ZINC001176289603 842344814 /nfs/dbraw/zinc/34/48/14/842344814.db2.gz ZXVKXQAHUUNIMF-UHFFFAOYSA-N 1 2 266.370 0.618 20 30 CCEDLO CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929856 842452463 /nfs/dbraw/zinc/45/24/63/842452463.db2.gz NLAOSSKIIKDIST-STQMWFEESA-N 1 2 297.424 0.955 20 30 CCEDLO CCC[N@H+]1CCO[C@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001176929856 842452471 /nfs/dbraw/zinc/45/24/71/842452471.db2.gz NLAOSSKIIKDIST-STQMWFEESA-N 1 2 297.424 0.955 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900861 842458970 /nfs/dbraw/zinc/45/89/70/842458970.db2.gz RRTQUGWBMNCRMZ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC)C[C@H]21 ZINC001176900861 842458976 /nfs/dbraw/zinc/45/89/76/842458976.db2.gz RRTQUGWBMNCRMZ-ZIAGYGMSSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(C)nc2C)CC1 ZINC001176899454 842459729 /nfs/dbraw/zinc/45/97/29/842459729.db2.gz QNQXBIRQDBRKOX-UHFFFAOYSA-N 1 2 263.345 0.225 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900858 842460350 /nfs/dbraw/zinc/46/03/50/842460350.db2.gz RRTQUGWBMNCRMZ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCC)C[C@@H]21 ZINC001176900858 842460361 /nfs/dbraw/zinc/46/03/61/842460361.db2.gz RRTQUGWBMNCRMZ-KBPBESRZSA-N 1 2 282.384 0.901 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001176954728 842468223 /nfs/dbraw/zinc/46/82/23/842468223.db2.gz ILCPAALLGFJULB-OLZOCXBDSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001176954728 842468226 /nfs/dbraw/zinc/46/82/26/842468226.db2.gz ILCPAALLGFJULB-OLZOCXBDSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001176954729 842468935 /nfs/dbraw/zinc/46/89/35/842468935.db2.gz ILCPAALLGFJULB-QWHCGFSZSA-N 1 2 268.357 0.247 20 30 CCEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001176954729 842468942 /nfs/dbraw/zinc/46/89/42/842468942.db2.gz ILCPAALLGFJULB-QWHCGFSZSA-N 1 2 268.357 0.247 20 30 CCEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962242 842470367 /nfs/dbraw/zinc/47/03/67/842470367.db2.gz GXYDEUFSIBHDBP-GJZGRUSLSA-N 1 2 294.395 0.736 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962242 842470371 /nfs/dbraw/zinc/47/03/71/842470371.db2.gz GXYDEUFSIBHDBP-GJZGRUSLSA-N 1 2 294.395 0.736 20 30 CCEDLO N#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001178000347 842722392 /nfs/dbraw/zinc/72/23/92/842722392.db2.gz KFKLGUZHBSYDJM-UHFFFAOYSA-N 1 2 255.281 0.925 20 30 CCEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccccc2)C1 ZINC001180756175 843274966 /nfs/dbraw/zinc/27/49/66/843274966.db2.gz WITHQZGJTPHTCA-STQMWFEESA-N 1 2 259.309 0.698 20 30 CCEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccccc2)C1 ZINC001180756175 843274973 /nfs/dbraw/zinc/27/49/73/843274973.db2.gz WITHQZGJTPHTCA-STQMWFEESA-N 1 2 259.309 0.698 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110395038 844736778 /nfs/dbraw/zinc/73/67/78/844736778.db2.gz UJMROAQYFPVSOU-LOWDOPEQSA-N 1 2 290.367 0.170 20 30 CCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110395038 844736781 /nfs/dbraw/zinc/73/67/81/844736781.db2.gz UJMROAQYFPVSOU-LOWDOPEQSA-N 1 2 290.367 0.170 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001190699986 845457107 /nfs/dbraw/zinc/45/71/07/845457107.db2.gz BRPDALMQVMCNKE-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001190699986 845457111 /nfs/dbraw/zinc/45/71/11/845457111.db2.gz BRPDALMQVMCNKE-HUUCEWRRSA-N 1 2 294.395 0.378 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001190685532 845463242 /nfs/dbraw/zinc/46/32/42/845463242.db2.gz ZUQOZFZMPVMIBK-HZPDHXFCSA-N 1 2 286.375 1.000 20 30 CCEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001190685532 845463252 /nfs/dbraw/zinc/46/32/52/845463252.db2.gz ZUQOZFZMPVMIBK-HZPDHXFCSA-N 1 2 286.375 1.000 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001191645552 845707208 /nfs/dbraw/zinc/70/72/08/845707208.db2.gz LJFYVAOSYOJRTL-DPIUTZRQSA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001191645552 845707214 /nfs/dbraw/zinc/70/72/14/845707214.db2.gz LJFYVAOSYOJRTL-DPIUTZRQSA-N 1 2 258.749 0.866 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001191724321 845717390 /nfs/dbraw/zinc/71/73/90/845717390.db2.gz AYSRXKWKDBCBTC-VXGBXAGGSA-N 1 2 281.381 0.771 20 30 CCEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001191724321 845717402 /nfs/dbraw/zinc/71/74/02/845717402.db2.gz AYSRXKWKDBCBTC-VXGBXAGGSA-N 1 2 281.381 0.771 20 30 CCEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001191855134 845741340 /nfs/dbraw/zinc/74/13/40/845741340.db2.gz XATZQNXBIIQRPF-MRVWCRGKSA-N 1 2 288.351 0.211 20 30 CCEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001191855134 845741348 /nfs/dbraw/zinc/74/13/48/845741348.db2.gz XATZQNXBIIQRPF-MRVWCRGKSA-N 1 2 288.351 0.211 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001192731428 845897305 /nfs/dbraw/zinc/89/73/05/845897305.db2.gz JOYHUMSSJKEMFM-DBLGQFABSA-N 1 2 280.368 0.154 20 30 CCEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001192731428 845897310 /nfs/dbraw/zinc/89/73/10/845897310.db2.gz JOYHUMSSJKEMFM-DBLGQFABSA-N 1 2 280.368 0.154 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192813262 845915144 /nfs/dbraw/zinc/91/51/44/845915144.db2.gz FKRAUDUEOMISMW-KSOFABFVSA-N 1 2 284.787 0.950 20 30 CCEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192813262 845915147 /nfs/dbraw/zinc/91/51/47/845915147.db2.gz FKRAUDUEOMISMW-KSOFABFVSA-N 1 2 284.787 0.950 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001192827943 845917070 /nfs/dbraw/zinc/91/70/70/845917070.db2.gz WMJBIULUGNRCCH-RJCKPJDGSA-N 1 2 268.744 0.314 20 30 CCEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001192827943 845917076 /nfs/dbraw/zinc/91/70/76/845917076.db2.gz WMJBIULUGNRCCH-RJCKPJDGSA-N 1 2 268.744 0.314 20 30 CCEDLO CCN(CCn1cc[nH+]c1)S(=O)(=O)[C@H](C)C#N ZINC001193139102 846003601 /nfs/dbraw/zinc/00/36/01/846003601.db2.gz YWZKRIQFJYWSID-SNVBAGLBSA-N 1 2 256.331 0.447 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)OCC ZINC001193422455 846077961 /nfs/dbraw/zinc/07/79/61/846077961.db2.gz RSLCSLWKKCKSKZ-UPJWGTAASA-N 1 2 288.363 0.489 20 30 CCEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)OCC ZINC001193422455 846077964 /nfs/dbraw/zinc/07/79/64/846077964.db2.gz RSLCSLWKKCKSKZ-UPJWGTAASA-N 1 2 288.363 0.489 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612351 846326776 /nfs/dbraw/zinc/32/67/76/846326776.db2.gz JOISPFPYAVGJQU-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612351 846326787 /nfs/dbraw/zinc/32/67/87/846326787.db2.gz JOISPFPYAVGJQU-ZDUSSCGKSA-N 1 2 291.395 0.459 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195301627 846497556 /nfs/dbraw/zinc/49/75/56/846497556.db2.gz NENNDHWFSLLLFP-CHWSQXEVSA-N 1 2 270.348 0.701 20 30 CCEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195301627 846497561 /nfs/dbraw/zinc/49/75/61/846497561.db2.gz NENNDHWFSLLLFP-CHWSQXEVSA-N 1 2 270.348 0.701 20 30 CCEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001195434663 846542057 /nfs/dbraw/zinc/54/20/57/846542057.db2.gz QZYQMYSMCWZCCI-KWLXYHDNSA-N 1 2 292.379 0.320 20 30 CCEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001195434663 846542062 /nfs/dbraw/zinc/54/20/62/846542062.db2.gz QZYQMYSMCWZCCI-KWLXYHDNSA-N 1 2 292.379 0.320 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195555848 846557800 /nfs/dbraw/zinc/55/78/00/846557800.db2.gz NLFSDYXYTFCFIX-CYBMUJFWSA-N 1 2 279.384 0.588 20 30 CCEDLO C#CCCCCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195555848 846557807 /nfs/dbraw/zinc/55/78/07/846557807.db2.gz NLFSDYXYTFCFIX-CYBMUJFWSA-N 1 2 279.384 0.588 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC001195925701 846650439 /nfs/dbraw/zinc/65/04/39/846650439.db2.gz HDPHJURSUBPYFW-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC001195925701 846650446 /nfs/dbraw/zinc/65/04/46/846650446.db2.gz HDPHJURSUBPYFW-UHFFFAOYSA-N 1 2 290.367 0.465 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001196511063 846755165 /nfs/dbraw/zinc/75/51/65/846755165.db2.gz VPRGCNNNQBRBEZ-MRVWCRGKSA-N 1 2 292.404 0.721 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001196511063 846755177 /nfs/dbraw/zinc/75/51/77/846755177.db2.gz VPRGCNNNQBRBEZ-MRVWCRGKSA-N 1 2 292.404 0.721 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001196560940 846776718 /nfs/dbraw/zinc/77/67/18/846776718.db2.gz XJWNWCKMMVIUBK-BFHYXJOUSA-N 1 2 282.384 0.090 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001196560940 846776727 /nfs/dbraw/zinc/77/67/27/846776727.db2.gz XJWNWCKMMVIUBK-BFHYXJOUSA-N 1 2 282.384 0.090 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001196644984 846779474 /nfs/dbraw/zinc/77/94/74/846779474.db2.gz LKPHQJJMLHUSJN-NWANDNLSSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001196644984 846779481 /nfs/dbraw/zinc/77/94/81/846779481.db2.gz LKPHQJJMLHUSJN-NWANDNLSSA-N 1 2 278.396 0.997 20 30 CCEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001196826441 846806137 /nfs/dbraw/zinc/80/61/37/846806137.db2.gz CHFYSTTXSWBLHQ-MRVWCRGKSA-N 1 2 292.383 0.326 20 30 CCEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001196826441 846806139 /nfs/dbraw/zinc/80/61/39/846806139.db2.gz CHFYSTTXSWBLHQ-MRVWCRGKSA-N 1 2 292.383 0.326 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197267845 846889500 /nfs/dbraw/zinc/88/95/00/846889500.db2.gz ZMJIPCWTWVQGMC-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197267845 846889504 /nfs/dbraw/zinc/88/95/04/846889504.db2.gz ZMJIPCWTWVQGMC-RBSFLKMASA-N 1 2 296.411 0.624 20 30 CCEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001197432155 846911461 /nfs/dbraw/zinc/91/14/61/846911461.db2.gz NWCHECDRXPWRNN-CYBMUJFWSA-N 1 2 277.324 0.821 20 30 CCEDLO C#CCOC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001251835837 847184443 /nfs/dbraw/zinc/18/44/43/847184443.db2.gz PZDSEACKOPNLLQ-NSHDSACASA-N 1 2 257.330 0.271 20 30 CCEDLO C#CCOC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001251835837 847184446 /nfs/dbraw/zinc/18/44/46/847184446.db2.gz PZDSEACKOPNLLQ-NSHDSACASA-N 1 2 257.330 0.271 20 30 CCEDLO C=CCNC(=O)C[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001201685420 847807110 /nfs/dbraw/zinc/80/71/10/847807110.db2.gz QCMMJUYHFYGUCX-UHFFFAOYSA-N 1 2 272.326 0.075 20 30 CCEDLO C=CCOC(=O)N1CC[NH+](CCCC(=O)OC)CC1 ZINC001202264579 847874901 /nfs/dbraw/zinc/87/49/01/847874901.db2.gz ZDPGVWSQGJXLGL-UHFFFAOYSA-N 1 2 270.329 0.880 20 30 CCEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001153148167 847933589 /nfs/dbraw/zinc/93/35/89/847933589.db2.gz ABXWNPXUKJQQHE-QWRGUYRKSA-N 1 2 296.371 0.990 20 30 CCEDLO C=C[C@H](CO)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000717521083 848275502 /nfs/dbraw/zinc/27/55/02/848275502.db2.gz JDUXEJVRPSLEJA-SECBINFHSA-N 1 2 274.342 0.166 20 30 CCEDLO N#CCNC/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132594 848356477 /nfs/dbraw/zinc/35/64/77/848356477.db2.gz BQIABDPDSFJLCG-UDSFMNFJSA-N 1 2 273.340 0.231 20 30 CCEDLO CC(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066693584 848411836 /nfs/dbraw/zinc/41/18/36/848411836.db2.gz CBSQCGIJPRORRL-OAHLLOKOSA-N 1 2 299.378 0.696 20 30 CCEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC2(COC)CC2)C1 ZINC001276050764 848909988 /nfs/dbraw/zinc/90/99/88/848909988.db2.gz MVHJNQGJHPIKJR-UHFFFAOYSA-N 1 2 296.411 0.932 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038648799 849227340 /nfs/dbraw/zinc/22/73/40/849227340.db2.gz XACGKEZEVNFXDW-GHMZBOCLSA-N 1 2 275.356 0.601 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001038648799 849227348 /nfs/dbraw/zinc/22/73/48/849227348.db2.gz XACGKEZEVNFXDW-GHMZBOCLSA-N 1 2 275.356 0.601 20 30 CCEDLO CC[C@H](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276377157 849796289 /nfs/dbraw/zinc/79/62/89/849796289.db2.gz SVWMOZZGWKINRN-RYUDHWBXSA-N 1 2 294.399 0.499 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001038303911 849844175 /nfs/dbraw/zinc/84/41/75/849844175.db2.gz DWEFZFFNZXFBFT-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001038303911 849844178 /nfs/dbraw/zinc/84/41/78/849844178.db2.gz DWEFZFFNZXFBFT-JTQLQIEISA-N 1 2 269.308 0.395 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038334685 849855883 /nfs/dbraw/zinc/85/58/83/849855883.db2.gz BROQCGIDROZMKF-ZDUSSCGKSA-N 1 2 287.363 0.915 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001038334685 849855896 /nfs/dbraw/zinc/85/58/96/849855896.db2.gz BROQCGIDROZMKF-ZDUSSCGKSA-N 1 2 287.363 0.915 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038394206 849878936 /nfs/dbraw/zinc/87/89/36/849878936.db2.gz IXAQJZCDZXEFOR-SNVBAGLBSA-N 1 2 262.313 0.246 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001038394206 849878947 /nfs/dbraw/zinc/87/89/47/849878947.db2.gz IXAQJZCDZXEFOR-SNVBAGLBSA-N 1 2 262.313 0.246 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038408820 849883261 /nfs/dbraw/zinc/88/32/61/849883261.db2.gz FMGQYMUJTIRVJN-JTQLQIEISA-N 1 2 265.263 0.797 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038408820 849883268 /nfs/dbraw/zinc/88/32/68/849883268.db2.gz FMGQYMUJTIRVJN-JTQLQIEISA-N 1 2 265.263 0.797 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001038472224 849916210 /nfs/dbraw/zinc/91/62/10/849916210.db2.gz UTLJSALCAPCNEK-INIZCTEOSA-N 1 2 299.374 0.760 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001038472224 849916216 /nfs/dbraw/zinc/91/62/16/849916216.db2.gz UTLJSALCAPCNEK-INIZCTEOSA-N 1 2 299.374 0.760 20 30 CCEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038489792 849922035 /nfs/dbraw/zinc/92/20/35/849922035.db2.gz NZVDAMNEBBOESE-SECBINFHSA-N 1 2 263.297 0.369 20 30 CCEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC001038489792 849922053 /nfs/dbraw/zinc/92/20/53/849922053.db2.gz NZVDAMNEBBOESE-SECBINFHSA-N 1 2 263.297 0.369 20 30 CCEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(N)=O)c1 ZINC001038552666 849940694 /nfs/dbraw/zinc/94/06/94/849940694.db2.gz WXBKSYVNNWHYJY-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(N)=O)c1 ZINC001038552666 849940700 /nfs/dbraw/zinc/94/07/00/849940700.db2.gz WXBKSYVNNWHYJY-NSHDSACASA-N 1 2 275.308 0.206 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038649039 849966525 /nfs/dbraw/zinc/96/65/25/849966525.db2.gz XVXWMDNDSBVVQK-GHMZBOCLSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001038649039 849966530 /nfs/dbraw/zinc/96/65/30/849966530.db2.gz XVXWMDNDSBVVQK-GHMZBOCLSA-N 1 2 273.340 0.048 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038768474 850010459 /nfs/dbraw/zinc/01/04/59/850010459.db2.gz ORITURGWMJZTGJ-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001038768474 850010470 /nfs/dbraw/zinc/01/04/70/850010470.db2.gz ORITURGWMJZTGJ-CYBMUJFWSA-N 1 2 272.352 0.585 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038852280 850051162 /nfs/dbraw/zinc/05/11/62/850051162.db2.gz GGDSSROAGBEPHN-CYBMUJFWSA-N 1 2 287.367 0.516 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001038852280 850051172 /nfs/dbraw/zinc/05/11/72/850051172.db2.gz GGDSSROAGBEPHN-CYBMUJFWSA-N 1 2 287.367 0.516 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038858636 850054938 /nfs/dbraw/zinc/05/49/38/850054938.db2.gz YIOSJNOICMISJK-CYBMUJFWSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001038858636 850054948 /nfs/dbraw/zinc/05/49/48/850054948.db2.gz YIOSJNOICMISJK-CYBMUJFWSA-N 1 2 283.335 0.406 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038874660 850062227 /nfs/dbraw/zinc/06/22/27/850062227.db2.gz ROSUTHQMFJOBHD-LLVKDONJSA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038874660 850062234 /nfs/dbraw/zinc/06/22/34/850062234.db2.gz ROSUTHQMFJOBHD-LLVKDONJSA-N 1 2 258.325 0.724 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001039011595 850119826 /nfs/dbraw/zinc/11/98/26/850119826.db2.gz GOMUUPQTMMBAKC-CYBMUJFWSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001039011595 850119828 /nfs/dbraw/zinc/11/98/28/850119828.db2.gz GOMUUPQTMMBAKC-CYBMUJFWSA-N 1 2 297.362 0.889 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039016588 850121860 /nfs/dbraw/zinc/12/18/60/850121860.db2.gz JQIKCJCPQOPXAI-ZDUSSCGKSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001039016588 850121862 /nfs/dbraw/zinc/12/18/62/850121862.db2.gz JQIKCJCPQOPXAI-ZDUSSCGKSA-N 1 2 271.320 0.223 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001039019347 850124789 /nfs/dbraw/zinc/12/47/89/850124789.db2.gz RDOXBPNETMRKGE-GFCCVEGCSA-N 1 2 296.330 0.773 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001039019347 850124791 /nfs/dbraw/zinc/12/47/91/850124791.db2.gz RDOXBPNETMRKGE-GFCCVEGCSA-N 1 2 296.330 0.773 20 30 CCEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039029858 850130526 /nfs/dbraw/zinc/13/05/26/850130526.db2.gz PZKYLAWIHCHLNS-OAHLLOKOSA-N 1 2 299.374 0.874 20 30 CCEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001039029858 850130532 /nfs/dbraw/zinc/13/05/32/850130532.db2.gz PZKYLAWIHCHLNS-OAHLLOKOSA-N 1 2 299.374 0.874 20 30 CCEDLO N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039301815 850169427 /nfs/dbraw/zinc/16/94/27/850169427.db2.gz PCFUCNYMZFZPQU-QXMXGUDHSA-N 1 2 287.367 0.977 20 30 CCEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)ncn2)C1 ZINC001042625389 850715746 /nfs/dbraw/zinc/71/57/46/850715746.db2.gz HPSADGTVYCFTMZ-UHFFFAOYSA-N 1 2 258.325 0.565 20 30 CCEDLO C#CCN1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001042758391 850753981 /nfs/dbraw/zinc/75/39/81/850753981.db2.gz CQJMITGXQOHHJP-UHFFFAOYSA-N 1 2 286.379 0.538 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001043010973 850796936 /nfs/dbraw/zinc/79/69/36/850796936.db2.gz FMHGKLRDRUMHHR-GFCCVEGCSA-N 1 2 265.357 0.374 20 30 CCEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(CC#N)C1 ZINC001043123065 850818423 /nfs/dbraw/zinc/81/84/23/850818423.db2.gz ANMQARWKCKSVLA-LLVKDONJSA-N 1 2 273.340 0.112 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001043435786 850872995 /nfs/dbraw/zinc/87/29/95/850872995.db2.gz QWXKYKPNWRYORR-AWEZNQCLSA-N 1 2 265.357 0.231 20 30 CCEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cc(Cl)cn2)C1 ZINC001043983148 850978327 /nfs/dbraw/zinc/97/83/27/850978327.db2.gz FXWZTEJWGYCJCC-UHFFFAOYSA-N 1 2 268.748 0.865 20 30 CCEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001044180954 851035887 /nfs/dbraw/zinc/03/58/87/851035887.db2.gz NKUYRUJAMLIQAX-NSHDSACASA-N 1 2 289.383 0.628 20 30 CCEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044684990 851143157 /nfs/dbraw/zinc/14/31/57/851143157.db2.gz LPLDEJJPCCDAQH-OLZOCXBDSA-N 1 2 289.383 0.845 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001044961650 851192163 /nfs/dbraw/zinc/19/21/63/851192163.db2.gz QHZJGVYEDXWLLN-ONGXEEELSA-N 1 2 279.369 0.778 20 30 CCEDLO CC[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046006472 851347030 /nfs/dbraw/zinc/34/70/30/851347030.db2.gz MERLJJSNFNKKNY-UONOGXRCSA-N 1 2 278.400 0.775 20 30 CCEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC3CCC3)CC2)C1 ZINC001046014815 851352053 /nfs/dbraw/zinc/35/20/53/851352053.db2.gz CSRCZEIAELERAL-HNNXBMFYSA-N 1 2 290.411 0.919 20 30 CCEDLO C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN(CC#N)C1 ZINC001046433515 851504086 /nfs/dbraw/zinc/50/40/86/851504086.db2.gz GTHYOINEKOKBMP-SWLSCSKDSA-N 1 2 287.367 0.550 20 30 CCEDLO Cn1nc2c(c1C=NNCCCn1cc[nH+]c1)COCC2 ZINC000901261812 851663162 /nfs/dbraw/zinc/66/31/62/851663162.db2.gz PMLUHFFRLNEYNX-UHFFFAOYSA-N 1 2 288.355 0.703 20 30 CCEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001047323314 851717330 /nfs/dbraw/zinc/71/73/30/851717330.db2.gz SNABMGHVQDNANF-QWRGUYRKSA-N 1 2 281.381 0.755 20 30 CCEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001047323314 851717335 /nfs/dbraw/zinc/71/73/35/851717335.db2.gz SNABMGHVQDNANF-QWRGUYRKSA-N 1 2 281.381 0.755 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001047333889 851723447 /nfs/dbraw/zinc/72/34/47/851723447.db2.gz SPPCUMDRXZBFBG-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001047333889 851723450 /nfs/dbraw/zinc/72/34/50/851723450.db2.gz SPPCUMDRXZBFBG-RYUDHWBXSA-N 1 2 277.324 0.042 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(COC)o2)C1 ZINC001047451063 851769223 /nfs/dbraw/zinc/76/92/23/851769223.db2.gz ATMFLDHNJAUCTN-STQMWFEESA-N 1 2 292.335 0.176 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(COC)o2)C1 ZINC001047451063 851769230 /nfs/dbraw/zinc/76/92/30/851769230.db2.gz ATMFLDHNJAUCTN-STQMWFEESA-N 1 2 292.335 0.176 20 30 CCEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001047588115 851825625 /nfs/dbraw/zinc/82/56/25/851825625.db2.gz HRWMEJWAUCOLIU-UWVGGRQHSA-N 1 2 299.783 0.547 20 30 CCEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001047588115 851825634 /nfs/dbraw/zinc/82/56/34/851825634.db2.gz HRWMEJWAUCOLIU-UWVGGRQHSA-N 1 2 299.783 0.547 20 30 CCEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)[nH]1 ZINC001048811604 852071804 /nfs/dbraw/zinc/07/18/04/852071804.db2.gz FBRUMUQLCMKGFV-OKILXGFUSA-N 1 2 299.378 0.417 20 30 CCEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)[nH]1 ZINC001048811604 852071814 /nfs/dbraw/zinc/07/18/14/852071814.db2.gz FBRUMUQLCMKGFV-OKILXGFUSA-N 1 2 299.378 0.417 20 30 CCEDLO Cc1nc(N(C)C)nc(N[C@H](C)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001097740979 852598684 /nfs/dbraw/zinc/59/86/84/852598684.db2.gz PWGQNNOLIYJBSY-DTWKUNHWSA-N 1 2 291.359 0.322 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1OCC)CCO2 ZINC001053173415 852701037 /nfs/dbraw/zinc/70/10/37/852701037.db2.gz UMHPJNMICKKCNF-ZIAGYGMSSA-N 1 2 294.395 0.901 20 30 CCEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1=CCOCC1)CCO2 ZINC001053231392 852714302 /nfs/dbraw/zinc/71/43/02/852714302.db2.gz QTWLMCCZMWJGSZ-UHFFFAOYSA-N 1 2 292.379 0.822 20 30 CCEDLO C=CCN1CC2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001053237705 852715650 /nfs/dbraw/zinc/71/56/50/852715650.db2.gz RHJFSWDXJORLGO-UHFFFAOYSA-N 1 2 290.367 0.442 20 30 CCEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC)C3)C2)cn1 ZINC001053512010 852753728 /nfs/dbraw/zinc/75/37/28/852753728.db2.gz JNUSUYBKUFPLJR-UHFFFAOYSA-N 1 2 285.347 0.610 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn[nH]1)O2 ZINC001053575334 852762429 /nfs/dbraw/zinc/76/24/29/852762429.db2.gz VHDKSIIUFFIZTC-LBPRGKRZSA-N 1 2 290.367 0.949 20 30 CCEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]nc1C)O2 ZINC001053633760 852772508 /nfs/dbraw/zinc/77/25/08/852772508.db2.gz ADCGKXPNTCKPHP-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCOC1)CO2 ZINC001053751154 852792166 /nfs/dbraw/zinc/79/21/66/852792166.db2.gz DUJCREHQFSFKPH-QWHCGFSZSA-N 1 2 278.352 0.006 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCOC1)CO2 ZINC001053762657 852812131 /nfs/dbraw/zinc/81/21/31/852812131.db2.gz DVIGYSNCMSLXHU-KGLIPLIRSA-N 1 2 292.379 0.396 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(C)c1)CO2 ZINC001053771018 852814961 /nfs/dbraw/zinc/81/49/61/852814961.db2.gz BQNLAMRBSOFUHJ-OAHLLOKOSA-N 1 2 299.374 0.986 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)CO2 ZINC001053793136 852823126 /nfs/dbraw/zinc/82/31/26/852823126.db2.gz IZIZXMVEDNZDDR-SRVKXCTJSA-N 1 2 298.333 0.870 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]cc1C)CO2 ZINC001053797494 852825048 /nfs/dbraw/zinc/82/50/48/852825048.db2.gz BJVFWYWIFRNKMA-GFCCVEGCSA-N 1 2 290.367 0.867 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]13C[C@H]1COC3)CO2 ZINC001053807736 852826858 /nfs/dbraw/zinc/82/68/58/852826858.db2.gz QHNZGWYXMMQNSL-ZENOOKHLSA-N 1 2 292.379 0.559 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1C)CO2 ZINC001053887193 852839887 /nfs/dbraw/zinc/83/98/87/852839887.db2.gz JKBUSENRZZQYJU-GFCCVEGCSA-N 1 2 288.351 0.315 20 30 CCEDLO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)c1 ZINC001053918301 852845369 /nfs/dbraw/zinc/84/53/69/852845369.db2.gz JOOJBHOLLILQDW-CQSZACIVSA-N 1 2 285.347 0.656 20 30 CCEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@@H](NCC#N)C1 ZINC001054795601 853015873 /nfs/dbraw/zinc/01/58/73/853015873.db2.gz ZHEKBGSSPBNJNX-YPMHNXCESA-N 1 2 288.351 0.593 20 30 CCEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001098006669 853122341 /nfs/dbraw/zinc/12/23/41/853122341.db2.gz KREKDAVUPRMSBI-JTQLQIEISA-N 1 2 284.323 0.836 20 30 CCEDLO Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001098006966 853123329 /nfs/dbraw/zinc/12/33/29/853123329.db2.gz QNHBFOUEHYUSQX-SNVBAGLBSA-N 1 2 299.338 0.539 20 30 CCEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173184 853402206 /nfs/dbraw/zinc/40/22/06/853402206.db2.gz WTWXULAJHIUMRH-OCCSQVGLSA-N 1 2 278.356 0.101 20 30 CCEDLO CC[C@H](CC#N)[N@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001255173184 853402213 /nfs/dbraw/zinc/40/22/13/853402213.db2.gz WTWXULAJHIUMRH-OCCSQVGLSA-N 1 2 278.356 0.101 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001050881957 853474978 /nfs/dbraw/zinc/47/49/78/853474978.db2.gz LHRQPBFSJBKEFG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001050881957 853474980 /nfs/dbraw/zinc/47/49/80/853474980.db2.gz LHRQPBFSJBKEFG-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001050919013 853486839 /nfs/dbraw/zinc/48/68/39/853486839.db2.gz ZGGBCIWKKOMZES-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001050919013 853486846 /nfs/dbraw/zinc/48/68/46/853486846.db2.gz ZGGBCIWKKOMZES-CYBMUJFWSA-N 1 2 292.383 0.735 20 30 CCEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001051164042 853534887 /nfs/dbraw/zinc/53/48/87/853534887.db2.gz LVOWRWOUDPZSSV-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001051164042 853534891 /nfs/dbraw/zinc/53/48/91/853534891.db2.gz LVOWRWOUDPZSSV-GFCCVEGCSA-N 1 2 293.371 0.212 20 30 CCEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001051251810 853555733 /nfs/dbraw/zinc/55/57/33/853555733.db2.gz RVCXCLVNDJVAOY-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001051251810 853555736 /nfs/dbraw/zinc/55/57/36/853555736.db2.gz RVCXCLVNDJVAOY-ZDUSSCGKSA-N 1 2 290.367 0.792 20 30 CCEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051962912 853663942 /nfs/dbraw/zinc/66/39/42/853663942.db2.gz LSSUYKUNCUFNGN-HNNXBMFYSA-N 1 2 275.396 0.638 20 30 CCEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CSC)C2)CC1 ZINC001051981852 853669297 /nfs/dbraw/zinc/66/92/97/853669297.db2.gz VRZXJLNBHJDMEC-CYBMUJFWSA-N 1 2 283.441 0.754 20 30 CCEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001051991537 853671154 /nfs/dbraw/zinc/67/11/54/853671154.db2.gz JBEWVJCGCDHQOZ-HUUCEWRRSA-N 1 2 293.411 0.263 20 30 CCEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC=CC3)C2)CC1 ZINC001052002402 853673831 /nfs/dbraw/zinc/67/38/31/853673831.db2.gz HUUDKDQITXPLMY-INIZCTEOSA-N 1 2 287.407 0.804 20 30 CCEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052008984 853675852 /nfs/dbraw/zinc/67/58/52/853675852.db2.gz KFHWWUSTSDKAAA-ZXZGFYSFSA-N 1 2 275.396 0.804 20 30 CCEDLO CC(C)[C@H](F)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067823 853680959 /nfs/dbraw/zinc/68/09/59/853680959.db2.gz OYDWMNVTSDMSFY-KBPBESRZSA-N 1 2 296.390 0.723 20 30 CCEDLO N#Cc1ccc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001058422951 853843815 /nfs/dbraw/zinc/84/38/15/853843815.db2.gz SYSDNJCOZXZDIE-LBPRGKRZSA-N 1 2 296.334 0.614 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069915308 853999655 /nfs/dbraw/zinc/99/96/55/853999655.db2.gz XGYGUJGUBXBSRY-KGLIPLIRSA-N 1 2 299.334 0.468 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069915308 853999660 /nfs/dbraw/zinc/99/96/60/853999660.db2.gz XGYGUJGUBXBSRY-KGLIPLIRSA-N 1 2 299.334 0.468 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070001991 854014415 /nfs/dbraw/zinc/01/44/15/854014415.db2.gz QDUXEKMRYFZACS-FQUUOJAGSA-N 1 2 287.367 0.299 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070001991 854014420 /nfs/dbraw/zinc/01/44/20/854014420.db2.gz QDUXEKMRYFZACS-FQUUOJAGSA-N 1 2 287.367 0.299 20 30 CCEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860678 854481978 /nfs/dbraw/zinc/48/19/78/854481978.db2.gz BPSVZDSMXFIQOH-CYBMUJFWSA-N 1 2 299.378 0.503 20 30 CCEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235078 854703355 /nfs/dbraw/zinc/70/33/55/854703355.db2.gz DAWBFXZTRRTFJF-JKSUJKDBSA-N 1 2 286.375 0.725 20 30 CCEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074235078 854703359 /nfs/dbraw/zinc/70/33/59/854703359.db2.gz DAWBFXZTRRTFJF-JKSUJKDBSA-N 1 2 286.375 0.725 20 30 CCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC001074956885 854801708 /nfs/dbraw/zinc/80/17/08/854801708.db2.gz GKJZDQUMQQSRCI-MDZLAQPJSA-N 1 2 275.356 0.691 20 30 CCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NCC#N)[C@@H]1C ZINC001074956885 854801716 /nfs/dbraw/zinc/80/17/16/854801716.db2.gz GKJZDQUMQQSRCI-MDZLAQPJSA-N 1 2 275.356 0.691 20 30 CCEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(C)C)C2)nn1 ZINC001098600662 854873874 /nfs/dbraw/zinc/87/38/74/854873874.db2.gz FOUWCKSRWCSBPS-AWEZNQCLSA-N 1 2 289.383 0.820 20 30 CCEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC001099262583 854925047 /nfs/dbraw/zinc/92/50/47/854925047.db2.gz VPINVVAAZQNRAJ-NSHDSACASA-N 1 2 299.338 0.552 20 30 CCEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1cnc(C#N)cn1 ZINC001099406248 854932709 /nfs/dbraw/zinc/93/27/09/854932709.db2.gz YCZRZCRGAACJIP-JTQLQIEISA-N 1 2 299.338 0.621 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1cncc(C#N)n1 ZINC001101718193 855351004 /nfs/dbraw/zinc/35/10/04/855351004.db2.gz MBAUHISLDOKDEG-UHFFFAOYSA-N 1 2 299.338 0.493 20 30 CCEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001117652190 856036370 /nfs/dbraw/zinc/03/63/70/856036370.db2.gz IZJKWJWJGMPAQT-ZDUSSCGKSA-N 1 2 279.384 0.762 20 30 CCEDLO N#CC1(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)CCC1 ZINC001117697171 856050599 /nfs/dbraw/zinc/05/05/99/856050599.db2.gz XLKCSIPHHJODOB-JTQLQIEISA-N 1 2 287.310 0.498 20 30 CCEDLO N#CC1(NC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1 ZINC001117697171 856050606 /nfs/dbraw/zinc/05/06/06/856050606.db2.gz XLKCSIPHHJODOB-JTQLQIEISA-N 1 2 287.310 0.498 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001117942380 856116260 /nfs/dbraw/zinc/11/62/60/856116260.db2.gz XMRZPXCDNRZWAB-MNOVXSKESA-N 1 2 284.312 0.215 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001117942380 856116263 /nfs/dbraw/zinc/11/62/63/856116263.db2.gz XMRZPXCDNRZWAB-MNOVXSKESA-N 1 2 284.312 0.215 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001119043225 856539116 /nfs/dbraw/zinc/53/91/16/856539116.db2.gz FKBJWEQIPLGPAW-NXEZZACHSA-N 1 2 283.353 0.230 20 30 CCEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001119043225 856539123 /nfs/dbraw/zinc/53/91/23/856539123.db2.gz FKBJWEQIPLGPAW-NXEZZACHSA-N 1 2 283.353 0.230 20 30 CCEDLO C#CCC1(O)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001119287883 856613669 /nfs/dbraw/zinc/61/36/69/856613669.db2.gz TYTWPQHPIBBUMS-CYBMUJFWSA-N 1 2 287.363 0.822 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001119345060 856643389 /nfs/dbraw/zinc/64/33/89/856643389.db2.gz FGIQBFQZQMMZAL-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO C=C(C)C[C@@H](CO)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001119345060 856643394 /nfs/dbraw/zinc/64/33/94/856643394.db2.gz FGIQBFQZQMMZAL-OLZOCXBDSA-N 1 2 285.388 0.333 20 30 CCEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001323287198 912244095 /nfs/dbraw/zinc/24/40/95/912244095.db2.gz MGZVRJZPHSVSPI-JTQLQIEISA-N 1 2 295.364 0.303 20 30 CCEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001323287198 912244107 /nfs/dbraw/zinc/24/41/07/912244107.db2.gz MGZVRJZPHSVSPI-JTQLQIEISA-N 1 2 295.364 0.303 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC001323644885 912460324 /nfs/dbraw/zinc/46/03/24/912460324.db2.gz PYHIWQRXNGNYPQ-UHFFFAOYSA-N 1 2 265.357 0.070 20 30 CCEDLO CN(C(=O)CSCC#N)C1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001323887804 912564526 /nfs/dbraw/zinc/56/45/26/912564526.db2.gz UMJKNXMGQWXLQI-ZDUSSCGKSA-N 1 2 297.424 0.955 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394074312 912973665 /nfs/dbraw/zinc/97/36/65/912973665.db2.gz AYSDCXPFTNPIFO-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394074312 912973684 /nfs/dbraw/zinc/97/36/84/912973684.db2.gz AYSDCXPFTNPIFO-GHMZBOCLSA-N 1 2 287.791 0.844 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001325069934 913184534 /nfs/dbraw/zinc/18/45/34/913184534.db2.gz KEGIZWUCWAUHCS-HNNXBMFYSA-N 1 2 292.383 0.439 20 30 CCEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccn(C)n2)C1 ZINC001325069934 913184545 /nfs/dbraw/zinc/18/45/45/913184545.db2.gz KEGIZWUCWAUHCS-HNNXBMFYSA-N 1 2 292.383 0.439 20 30 CCEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001395131258 913556945 /nfs/dbraw/zinc/55/69/45/913556945.db2.gz FUBFKSLTJASDIT-VHSXEESVSA-N 1 2 291.355 0.383 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001480879790 891516257 /nfs/dbraw/zinc/51/62/57/891516257.db2.gz SKLKHDBQLKDDIY-GFCCVEGCSA-N 1 2 281.400 0.466 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001480879790 891516267 /nfs/dbraw/zinc/51/62/67/891516267.db2.gz SKLKHDBQLKDDIY-GFCCVEGCSA-N 1 2 281.400 0.466 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001480884138 891551533 /nfs/dbraw/zinc/55/15/33/891551533.db2.gz NTVLRYADBAYARH-MJBXVCDLSA-N 1 2 291.395 0.220 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001480884138 891551539 /nfs/dbraw/zinc/55/15/39/891551539.db2.gz NTVLRYADBAYARH-MJBXVCDLSA-N 1 2 291.395 0.220 20 30 CCEDLO C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001266569600 891557859 /nfs/dbraw/zinc/55/78/59/891557859.db2.gz DGDCSWYTDPWVRQ-NSHDSACASA-N 1 2 296.396 0.821 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001480898199 891712361 /nfs/dbraw/zinc/71/23/61/891712361.db2.gz HQURGRMETUONJY-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001480898199 891712362 /nfs/dbraw/zinc/71/23/62/891712362.db2.gz HQURGRMETUONJY-UHFFFAOYSA-N 1 2 281.400 0.869 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001480898942 891714875 /nfs/dbraw/zinc/71/48/75/891714875.db2.gz GYRWEJMXJFUBCL-UHFFFAOYSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001480898942 891714883 /nfs/dbraw/zinc/71/48/83/891714883.db2.gz GYRWEJMXJFUBCL-UHFFFAOYSA-N 1 2 267.373 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1ccco1 ZINC001480926244 891842709 /nfs/dbraw/zinc/84/27/09/891842709.db2.gz QWDJDFHNKKWMTA-UHFFFAOYSA-N 1 2 279.340 0.172 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1ccco1 ZINC001480926244 891842721 /nfs/dbraw/zinc/84/27/21/891842721.db2.gz QWDJDFHNKKWMTA-UHFFFAOYSA-N 1 2 279.340 0.172 20 30 CCEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC001481021524 892067032 /nfs/dbraw/zinc/06/70/32/892067032.db2.gz BTFOVDNVWYBSCI-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC001481021524 892067049 /nfs/dbraw/zinc/06/70/49/892067049.db2.gz BTFOVDNVWYBSCI-CYBMUJFWSA-N 1 2 292.383 0.397 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCOC1 ZINC001267713250 892349201 /nfs/dbraw/zinc/34/92/01/892349201.db2.gz LNFBNPMRGCKTHO-DZKIICNBSA-N 1 2 292.379 0.348 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCOC1 ZINC001267713250 892349216 /nfs/dbraw/zinc/34/92/16/892349216.db2.gz LNFBNPMRGCKTHO-DZKIICNBSA-N 1 2 292.379 0.348 20 30 CCEDLO C#CCCCCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001481223016 892387107 /nfs/dbraw/zinc/38/71/07/892387107.db2.gz QKSBKFNKCJXCAQ-UHFFFAOYSA-N 1 2 264.329 0.811 20 30 CCEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)COCC1CC1 ZINC001481463686 892703738 /nfs/dbraw/zinc/70/37/38/892703738.db2.gz QRUXAECBDQOEDV-UHFFFAOYSA-N 1 2 294.399 0.013 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)COCCC)C1 ZINC001481532738 892779754 /nfs/dbraw/zinc/77/97/54/892779754.db2.gz VMCQIKVVMSXRRB-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COCCC)C1 ZINC001481532738 892779759 /nfs/dbraw/zinc/77/97/59/892779759.db2.gz VMCQIKVVMSXRRB-ZDUSSCGKSA-N 1 2 297.399 0.296 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001481548285 892804348 /nfs/dbraw/zinc/80/43/48/892804348.db2.gz WSCMCUBTEQALCF-GFCCVEGCSA-N 1 2 252.358 0.871 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CCc2cnccn2)C1 ZINC001481594338 892877239 /nfs/dbraw/zinc/87/72/39/892877239.db2.gz ZPYHHXZSOCRCJM-UHFFFAOYSA-N 1 2 258.325 0.233 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001481591830 892878862 /nfs/dbraw/zinc/87/88/62/892878862.db2.gz BEZQZFJHMMPLDB-GFCCVEGCSA-N 1 2 274.368 0.422 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)CC[C@]2(C)CCC(=O)N2)C1 ZINC001481609066 892893806 /nfs/dbraw/zinc/89/38/06/892893806.db2.gz PDLBCONKCMQTEL-OAHLLOKOSA-N 1 2 277.368 0.259 20 30 CCEDLO C=C[C@](C)(CC)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001481642694 892952599 /nfs/dbraw/zinc/95/25/99/892952599.db2.gz NQSGMPKRMYUNRG-IINYFYTJSA-N 1 2 267.373 0.511 20 30 CCEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001496459929 892969349 /nfs/dbraw/zinc/96/93/49/892969349.db2.gz MQKRKRZEEKOEQW-NWDGAFQWSA-N 1 2 292.383 0.985 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001481672447 892992217 /nfs/dbraw/zinc/99/22/17/892992217.db2.gz RPWVAZCEKGROPU-IHRRRGAJSA-N 1 2 291.395 0.552 20 30 CCEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001481672447 892992226 /nfs/dbraw/zinc/99/22/26/892992226.db2.gz RPWVAZCEKGROPU-IHRRRGAJSA-N 1 2 291.395 0.552 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001481687684 893006059 /nfs/dbraw/zinc/00/60/59/893006059.db2.gz SGZDHDAXWHDBTJ-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001481687684 893006077 /nfs/dbraw/zinc/00/60/77/893006077.db2.gz SGZDHDAXWHDBTJ-STQMWFEESA-N 1 2 279.384 0.363 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001498252821 893315366 /nfs/dbraw/zinc/31/53/66/893315366.db2.gz ABYQGBUUSRODRC-JTQLQIEISA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001498252821 893315386 /nfs/dbraw/zinc/31/53/86/893315386.db2.gz ABYQGBUUSRODRC-JTQLQIEISA-N 1 2 285.779 0.926 20 30 CCEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001482187131 893477246 /nfs/dbraw/zinc/47/72/46/893477246.db2.gz SCNWJDCKLNIVAF-OLZOCXBDSA-N 1 2 293.371 0.232 20 30 CCEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001482187131 893477256 /nfs/dbraw/zinc/47/72/56/893477256.db2.gz SCNWJDCKLNIVAF-OLZOCXBDSA-N 1 2 293.371 0.232 20 30 CCEDLO CCOCC[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001269787531 893643870 /nfs/dbraw/zinc/64/38/70/893643870.db2.gz NKLHYJZWEQDVHN-UHFFFAOYSA-N 1 2 250.342 0.579 20 30 CCEDLO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)o1 ZINC001482266223 893709187 /nfs/dbraw/zinc/70/91/87/893709187.db2.gz LZHNQEMNONVSDI-DTWKUNHWSA-N 1 2 265.317 0.474 20 30 CCEDLO C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CNCC#N ZINC001482499907 894162550 /nfs/dbraw/zinc/16/25/50/894162550.db2.gz RMFVRANCXNPAQW-NWDGAFQWSA-N 1 2 275.356 0.692 20 30 CCEDLO CCn1nnc(C)c1C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001482585928 894292184 /nfs/dbraw/zinc/29/21/84/894292184.db2.gz CEVJXXGSXSHPKI-NSHDSACASA-N 1 2 292.387 0.656 20 30 CCEDLO CCn1nnc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001482585928 894292202 /nfs/dbraw/zinc/29/22/02/894292202.db2.gz CEVJXXGSXSHPKI-NSHDSACASA-N 1 2 292.387 0.656 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001482586929 894296681 /nfs/dbraw/zinc/29/66/81/894296681.db2.gz SSFOAJYEUIVBBI-NSHDSACASA-N 1 2 263.345 0.470 20 30 CCEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001482586929 894296697 /nfs/dbraw/zinc/29/66/97/894296697.db2.gz SSFOAJYEUIVBBI-NSHDSACASA-N 1 2 263.345 0.470 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001482595984 894363023 /nfs/dbraw/zinc/36/30/23/894363023.db2.gz BVTVKRNHPXYFMM-GFCCVEGCSA-N 1 2 290.791 0.935 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001482595984 894363033 /nfs/dbraw/zinc/36/30/33/894363033.db2.gz BVTVKRNHPXYFMM-GFCCVEGCSA-N 1 2 290.791 0.935 20 30 CCEDLO CN(CC[N@H+](C)CC(N)=O)C(=O)CC#Cc1ccccc1 ZINC001482649855 894446403 /nfs/dbraw/zinc/44/64/03/894446403.db2.gz LYJVCXHENCDJIK-UHFFFAOYSA-N 1 2 287.363 0.304 20 30 CCEDLO CN(CC[N@@H+](C)CC(N)=O)C(=O)CC#Cc1ccccc1 ZINC001482649855 894446407 /nfs/dbraw/zinc/44/64/07/894446407.db2.gz LYJVCXHENCDJIK-UHFFFAOYSA-N 1 2 287.363 0.304 20 30 CCEDLO Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001483115353 894934766 /nfs/dbraw/zinc/93/47/66/894934766.db2.gz FGOXQLCHCBUKJV-JGVFFNPUSA-N 1 2 251.290 0.132 20 30 CCEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C(N)=O ZINC001326458668 913966191 /nfs/dbraw/zinc/96/61/91/913966191.db2.gz QNEUASPUYZIKEE-UHFFFAOYSA-N 1 2 295.770 0.972 20 30 CCEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C(N)=O ZINC001326458668 913966198 /nfs/dbraw/zinc/96/61/98/913966198.db2.gz QNEUASPUYZIKEE-UHFFFAOYSA-N 1 2 295.770 0.972 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001483371704 895512243 /nfs/dbraw/zinc/51/22/43/895512243.db2.gz ZWYKZNAACXBKGL-MRVPVSSYSA-N 1 2 271.752 0.916 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001483371704 895512254 /nfs/dbraw/zinc/51/22/54/895512254.db2.gz ZWYKZNAACXBKGL-MRVPVSSYSA-N 1 2 271.752 0.916 20 30 CCEDLO C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C(N)=O ZINC001483380305 895522130 /nfs/dbraw/zinc/52/21/30/895522130.db2.gz BBEJKMFNFQWTRQ-VIFPVBQESA-N 1 2 292.314 0.119 20 30 CCEDLO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)C(N)=O ZINC001483380305 895522132 /nfs/dbraw/zinc/52/21/32/895522132.db2.gz BBEJKMFNFQWTRQ-VIFPVBQESA-N 1 2 292.314 0.119 20 30 CCEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccccc1OC ZINC001483701482 895881414 /nfs/dbraw/zinc/88/14/14/895881414.db2.gz MJGGCLPXTAQLAH-CYBMUJFWSA-N 1 2 288.347 0.898 20 30 CCEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccccc1OC ZINC001483701482 895881427 /nfs/dbraw/zinc/88/14/27/895881427.db2.gz MJGGCLPXTAQLAH-CYBMUJFWSA-N 1 2 288.347 0.898 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001483705291 895886100 /nfs/dbraw/zinc/88/61/00/895886100.db2.gz OHQGDJASCIOYKM-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001483705291 895886106 /nfs/dbraw/zinc/88/61/06/895886106.db2.gz OHQGDJASCIOYKM-QWHCGFSZSA-N 1 2 277.368 0.211 20 30 CCEDLO C=CCOCC(=O)N[C@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001484038135 896166134 /nfs/dbraw/zinc/16/61/34/896166134.db2.gz SZXDYUXTOJNHEZ-CQSZACIVSA-N 1 2 279.340 0.958 20 30 CCEDLO C=CCOCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001484038135 896166145 /nfs/dbraw/zinc/16/61/45/896166145.db2.gz SZXDYUXTOJNHEZ-CQSZACIVSA-N 1 2 279.340 0.958 20 30 CCEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)OCC)CO2 ZINC001484793252 896608638 /nfs/dbraw/zinc/60/86/38/896608638.db2.gz XAELIFNBSJODJG-OLZOCXBDSA-N 1 2 282.384 0.947 20 30 CCEDLO Cc1cc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)nn1C ZINC001485496553 897083131 /nfs/dbraw/zinc/08/31/31/897083131.db2.gz JHPMHYYAANPJQG-CMPLNLGQSA-N 1 2 289.383 0.825 20 30 CCEDLO N#CCNC[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001485687875 897184638 /nfs/dbraw/zinc/18/46/38/897184638.db2.gz QGVHQJRQFPKSKL-AVGNSLFASA-N 1 2 287.367 0.453 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001077735834 897379800 /nfs/dbraw/zinc/37/98/00/897379800.db2.gz RGFVDGUZGQSFHX-VXGBXAGGSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001077735834 897379811 /nfs/dbraw/zinc/37/98/11/897379811.db2.gz RGFVDGUZGQSFHX-VXGBXAGGSA-N 1 2 286.322 0.606 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001077740527 897382107 /nfs/dbraw/zinc/38/21/07/897382107.db2.gz RKAXOVMIUPZGSF-GVDBMIGSSA-N 1 2 298.386 0.586 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001077740527 897382122 /nfs/dbraw/zinc/38/21/22/897382122.db2.gz RKAXOVMIUPZGSF-GVDBMIGSSA-N 1 2 298.386 0.586 20 30 CCEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)ncn2)C1 ZINC001107874422 897416527 /nfs/dbraw/zinc/41/65/27/897416527.db2.gz ONFIGQHXZXBBGE-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)ncn2)C1 ZINC001107874422 897416541 /nfs/dbraw/zinc/41/65/41/897416541.db2.gz ONFIGQHXZXBBGE-HNNXBMFYSA-N 1 2 290.367 0.792 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnn1CC ZINC001032391633 897417885 /nfs/dbraw/zinc/41/78/85/897417885.db2.gz GCCIBDKGMCVAGC-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnn1CC ZINC001032391633 897417895 /nfs/dbraw/zinc/41/78/95/897417895.db2.gz GCCIBDKGMCVAGC-RYUDHWBXSA-N 1 2 273.340 0.220 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107903622 897475129 /nfs/dbraw/zinc/47/51/29/897475129.db2.gz WOLOBDYIGRZRRR-HOTGVXAUSA-N 1 2 294.395 0.544 20 30 CCEDLO C=C[C@](C)(O)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107903622 897475136 /nfs/dbraw/zinc/47/51/36/897475136.db2.gz WOLOBDYIGRZRRR-HOTGVXAUSA-N 1 2 294.395 0.544 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]cnc21 ZINC001032427452 897551487 /nfs/dbraw/zinc/55/14/87/897551487.db2.gz AOBFSAYWYNLNSA-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2[nH]cnc21 ZINC001032427452 897551501 /nfs/dbraw/zinc/55/15/01/897551501.db2.gz AOBFSAYWYNLNSA-RYUDHWBXSA-N 1 2 295.346 0.880 20 30 CCEDLO CS(=O)(=O)CCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC001326797619 914181637 /nfs/dbraw/zinc/18/16/37/914181637.db2.gz RTASSZKBVNIRAQ-LLVKDONJSA-N 1 2 260.359 0.162 20 30 CCEDLO CS(=O)(=O)CCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC001326797619 914181644 /nfs/dbraw/zinc/18/16/44/914181644.db2.gz RTASSZKBVNIRAQ-LLVKDONJSA-N 1 2 260.359 0.162 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O ZINC001032563493 897747715 /nfs/dbraw/zinc/74/77/15/897747715.db2.gz YNAWTGFCCBMZBP-SRVKXCTJSA-N 1 2 279.384 0.748 20 30 CCEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O ZINC001032563493 897747719 /nfs/dbraw/zinc/74/77/19/897747719.db2.gz YNAWTGFCCBMZBP-SRVKXCTJSA-N 1 2 279.384 0.748 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cncnc1 ZINC001032585474 897780078 /nfs/dbraw/zinc/78/00/78/897780078.db2.gz KETLMVFAYGSUDD-QEJZJMRPSA-N 1 2 284.363 0.889 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cncnc1 ZINC001032585474 897780089 /nfs/dbraw/zinc/78/00/89/897780089.db2.gz KETLMVFAYGSUDD-QEJZJMRPSA-N 1 2 284.363 0.889 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001032588634 897781337 /nfs/dbraw/zinc/78/13/37/897781337.db2.gz LNAFXHGXBLRDDS-QEJZJMRPSA-N 1 2 298.390 0.443 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001032588634 897781350 /nfs/dbraw/zinc/78/13/50/897781350.db2.gz LNAFXHGXBLRDDS-QEJZJMRPSA-N 1 2 298.390 0.443 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cn1 ZINC001032588824 897782276 /nfs/dbraw/zinc/78/22/76/897782276.db2.gz VVRBHYPHVZBFAO-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cn1 ZINC001032588824 897782287 /nfs/dbraw/zinc/78/22/87/897782287.db2.gz VVRBHYPHVZBFAO-KBPBESRZSA-N 1 2 285.347 0.551 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)nc1C ZINC001032634609 897859229 /nfs/dbraw/zinc/85/92/29/897859229.db2.gz RQONUUTYKGZNJT-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)nc1C ZINC001032634609 897859233 /nfs/dbraw/zinc/85/92/33/897859233.db2.gz RQONUUTYKGZNJT-STQMWFEESA-N 1 2 272.352 0.949 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001077825135 897875202 /nfs/dbraw/zinc/87/52/02/897875202.db2.gz GVXUPNWXNZDDRB-HUUCEWRRSA-N 1 2 286.331 0.125 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001077825135 897875217 /nfs/dbraw/zinc/87/52/17/897875217.db2.gz GVXUPNWXNZDDRB-HUUCEWRRSA-N 1 2 286.331 0.125 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001032707032 897948792 /nfs/dbraw/zinc/94/87/92/897948792.db2.gz LABTWPJMOZWDOL-QEJZJMRPSA-N 1 2 286.379 0.517 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001032707032 897948802 /nfs/dbraw/zinc/94/88/02/897948802.db2.gz LABTWPJMOZWDOL-QEJZJMRPSA-N 1 2 286.379 0.517 20 30 CCEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCC2 ZINC001032727604 898020213 /nfs/dbraw/zinc/02/02/13/898020213.db2.gz BAAMHRNVGCAEMF-RYUDHWBXSA-N 1 2 284.363 0.441 20 30 CCEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c(nn1C)CCC2 ZINC001032727604 898020225 /nfs/dbraw/zinc/02/02/25/898020225.db2.gz BAAMHRNVGCAEMF-RYUDHWBXSA-N 1 2 284.363 0.441 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](O)C1 ZINC001083795887 898080401 /nfs/dbraw/zinc/08/04/01/898080401.db2.gz AOFGBGJBXMXTEB-KGLIPLIRSA-N 1 2 286.331 0.030 20 30 CCEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](O)C1 ZINC001083795887 898080414 /nfs/dbraw/zinc/08/04/14/898080414.db2.gz AOFGBGJBXMXTEB-KGLIPLIRSA-N 1 2 286.331 0.030 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001078024918 898188247 /nfs/dbraw/zinc/18/82/47/898188247.db2.gz MJPMCNBMXXBZFS-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001078024918 898188255 /nfs/dbraw/zinc/18/82/55/898188255.db2.gz MJPMCNBMXXBZFS-CHWSQXEVSA-N 1 2 277.324 0.035 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001078139635 898260408 /nfs/dbraw/zinc/26/04/08/898260408.db2.gz ZRSSHSSULXISGE-ZJUUUORDSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001078136201 898260884 /nfs/dbraw/zinc/26/08/84/898260884.db2.gz HDYYYXVIMDMDHD-UWVGGRQHSA-N 1 2 277.328 0.123 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001078232335 898308202 /nfs/dbraw/zinc/30/82/02/898308202.db2.gz PDCGRMZFCQHBLO-HZPDHXFCSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001078232335 898308213 /nfs/dbraw/zinc/30/82/13/898308213.db2.gz PDCGRMZFCQHBLO-HZPDHXFCSA-N 1 2 298.386 0.821 20 30 CCEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001078248778 898317007 /nfs/dbraw/zinc/31/70/07/898317007.db2.gz ZFTQCYJUVKJTJF-BFHYXJOUSA-N 1 2 278.396 0.997 20 30 CCEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001078248778 898317020 /nfs/dbraw/zinc/31/70/20/898317020.db2.gz ZFTQCYJUVKJTJF-BFHYXJOUSA-N 1 2 278.396 0.997 20 30 CCEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001078281269 898325145 /nfs/dbraw/zinc/32/51/45/898325145.db2.gz XCFPMIJRNXUBAO-ZIAGYGMSSA-N 1 2 290.338 0.932 20 30 CCEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001078281269 898325155 /nfs/dbraw/zinc/32/51/55/898325155.db2.gz XCFPMIJRNXUBAO-ZIAGYGMSSA-N 1 2 290.338 0.932 20 30 CCEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001486181942 898699478 /nfs/dbraw/zinc/69/94/78/898699478.db2.gz WBARWGSXGNBGCW-MNOVXSKESA-N 1 2 299.802 0.974 20 30 CCEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001486181942 898699496 /nfs/dbraw/zinc/69/94/96/898699496.db2.gz WBARWGSXGNBGCW-MNOVXSKESA-N 1 2 299.802 0.974 20 30 CCEDLO CC#CC[N@H+]1CC=C(CNC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001486508696 898914975 /nfs/dbraw/zinc/91/49/75/898914975.db2.gz FFQAYZZVVRGEGT-GFCCVEGCSA-N 1 2 298.408 0.191 20 30 CCEDLO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001486508696 898914986 /nfs/dbraw/zinc/91/49/86/898914986.db2.gz FFQAYZZVVRGEGT-GFCCVEGCSA-N 1 2 298.408 0.191 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001494842491 899854990 /nfs/dbraw/zinc/85/49/90/899854990.db2.gz RAUYPRWQRNOXCA-SNVBAGLBSA-N 1 2 285.775 0.537 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001494842491 899854999 /nfs/dbraw/zinc/85/49/99/899854999.db2.gz RAUYPRWQRNOXCA-SNVBAGLBSA-N 1 2 285.775 0.537 20 30 CCEDLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)sn1 ZINC001191872640 900022049 /nfs/dbraw/zinc/02/20/49/900022049.db2.gz KVJTUEXAHNCZOO-XXILOJSOSA-N 1 2 294.380 0.273 20 30 CCEDLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)sn1 ZINC001191872640 900022060 /nfs/dbraw/zinc/02/20/60/900022060.db2.gz KVJTUEXAHNCZOO-XXILOJSOSA-N 1 2 294.380 0.273 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC=C ZINC001488657378 900346210 /nfs/dbraw/zinc/34/62/10/900346210.db2.gz VMMZKAYHKRCZPO-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC=C ZINC001488657378 900346216 /nfs/dbraw/zinc/34/62/16/900346216.db2.gz VMMZKAYHKRCZPO-AWEZNQCLSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC=C ZINC001488657379 900348375 /nfs/dbraw/zinc/34/83/75/900348375.db2.gz VMMZKAYHKRCZPO-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC=C ZINC001488657379 900348382 /nfs/dbraw/zinc/34/83/82/900348382.db2.gz VMMZKAYHKRCZPO-CQSZACIVSA-N 1 2 291.395 0.625 20 30 CCEDLO CCn1nc(C)c(C[N@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001490164102 900548467 /nfs/dbraw/zinc/54/84/67/900548467.db2.gz HOLPLWLNXUQEBA-LLVKDONJSA-N 1 2 292.387 0.704 20 30 CCEDLO CCn1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@H](C)C#N)n1 ZINC001490164102 900548473 /nfs/dbraw/zinc/54/84/73/900548473.db2.gz HOLPLWLNXUQEBA-LLVKDONJSA-N 1 2 292.387 0.704 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001490434404 900629939 /nfs/dbraw/zinc/62/99/39/900629939.db2.gz RGVOIDXTJBAFLT-YFTXEMMHSA-N 1 2 279.384 0.835 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001490434404 900629943 /nfs/dbraw/zinc/62/99/43/900629943.db2.gz RGVOIDXTJBAFLT-YFTXEMMHSA-N 1 2 279.384 0.835 20 30 CCEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)COC ZINC001490786490 900726711 /nfs/dbraw/zinc/72/67/11/900726711.db2.gz QOUDHUNCMSABNY-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)COC ZINC001490786490 900726719 /nfs/dbraw/zinc/72/67/19/900726719.db2.gz QOUDHUNCMSABNY-SOUVJXGZSA-N 1 2 294.395 0.594 20 30 CCEDLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(CC#N)C1 ZINC001318482962 900837888 /nfs/dbraw/zinc/83/78/88/900837888.db2.gz AAVLCACKWFDBER-LBPRGKRZSA-N 1 2 275.356 0.409 20 30 CCEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001319320741 900876883 /nfs/dbraw/zinc/87/68/83/900876883.db2.gz YIONGUXOTGBDAS-YPMHNXCESA-N 1 2 272.320 0.118 20 30 CCEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001319320741 900876894 /nfs/dbraw/zinc/87/68/94/900876894.db2.gz YIONGUXOTGBDAS-YPMHNXCESA-N 1 2 272.320 0.118 20 30 CCEDLO CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001442044663 901045362 /nfs/dbraw/zinc/04/53/62/901045362.db2.gz DFVJLUADUUCKNG-OAHLLOKOSA-N 1 2 293.342 0.968 20 30 CCEDLO CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001442044663 901045374 /nfs/dbraw/zinc/04/53/74/901045374.db2.gz DFVJLUADUUCKNG-OAHLLOKOSA-N 1 2 293.342 0.968 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995204 902449066 /nfs/dbraw/zinc/44/90/66/902449066.db2.gz LDOUOCLPMWJDQF-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[C@H](O)[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001412995204 902449076 /nfs/dbraw/zinc/44/90/76/902449076.db2.gz LDOUOCLPMWJDQF-CQDKDKBSSA-N 1 2 276.336 0.673 20 30 CCEDLO C[NH+]1CCN(C(=O)C(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC001327705855 914721669 /nfs/dbraw/zinc/72/16/69/914721669.db2.gz BQPYATHVYXXWRA-UHFFFAOYSA-N 1 2 298.346 0.174 20 30 CCEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC001491415825 903565751 /nfs/dbraw/zinc/56/57/51/903565751.db2.gz UFNKEKKLKJAAGK-IUCAKERBSA-N 1 2 283.763 0.827 20 30 CCEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)COC ZINC001316604582 904120444 /nfs/dbraw/zinc/12/04/44/904120444.db2.gz ZMSKKOLTPMBJMN-LBPRGKRZSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)COC ZINC001316604582 904120449 /nfs/dbraw/zinc/12/04/49/904120449.db2.gz ZMSKKOLTPMBJMN-LBPRGKRZSA-N 1 2 252.358 0.825 20 30 CCEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001280949228 904182620 /nfs/dbraw/zinc/18/26/20/904182620.db2.gz YZGREKVJEKQEBJ-CQSZACIVSA-N 1 2 272.348 0.383 20 30 CCEDLO Cc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001398693004 914788513 /nfs/dbraw/zinc/78/85/13/914788513.db2.gz SGXVRFHVRPZDNY-PWSUYJOCSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001398693004 914788522 /nfs/dbraw/zinc/78/85/22/914788522.db2.gz SGXVRFHVRPZDNY-PWSUYJOCSA-N 1 2 291.355 0.866 20 30 CCEDLO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CSCC#N)o1 ZINC001282095678 904411107 /nfs/dbraw/zinc/41/11/07/904411107.db2.gz MPVKUEDKRNAWJX-DTWKUNHWSA-N 1 2 297.384 0.618 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2c[nH]nc2CC)C1 ZINC001282523645 904501763 /nfs/dbraw/zinc/50/17/63/904501763.db2.gz QYAQYTHWOLPAFO-UHFFFAOYSA-N 1 2 290.367 0.162 20 30 CCEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccsn2)C1 ZINC001282522777 904502064 /nfs/dbraw/zinc/50/20/64/904502064.db2.gz IBQQMGKYRPHSCA-UHFFFAOYSA-N 1 2 279.365 0.333 20 30 CCEDLO C=C1CC(C)(C(=O)NC2(CCO)C[NH+](CCOC)C2)C1 ZINC001282538064 904505658 /nfs/dbraw/zinc/50/56/58/904505658.db2.gz YUFITJVCVRRLID-UHFFFAOYSA-N 1 2 282.384 0.542 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(C(N)=O)CC2)C1 ZINC001282734110 904530253 /nfs/dbraw/zinc/53/02/53/904530253.db2.gz AZENERGDKVGAIY-SECBINFHSA-N 1 2 285.775 0.441 20 30 CCEDLO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001377374851 904815438 /nfs/dbraw/zinc/81/54/38/904815438.db2.gz DMQWKQSYNSCSHZ-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001377374851 904815452 /nfs/dbraw/zinc/81/54/52/904815452.db2.gz DMQWKQSYNSCSHZ-OLZOCXBDSA-N 1 2 294.399 0.499 20 30 CCEDLO CC(C)C#CC(=O)NCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283536599 904900965 /nfs/dbraw/zinc/90/09/65/904900965.db2.gz KDYIDCVPZRPLOX-UHFFFAOYSA-N 1 2 290.367 0.576 20 30 CCEDLO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1csnn1 ZINC001284397210 905271554 /nfs/dbraw/zinc/27/15/54/905271554.db2.gz BNTRYXQENOBKSN-GFCCVEGCSA-N 1 2 296.396 0.106 20 30 CCEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001378536919 905667743 /nfs/dbraw/zinc/66/77/43/905667743.db2.gz GQQUVYPYKVXNRQ-HZMBPMFUSA-N 1 2 299.802 0.844 20 30 CCEDLO C=C(C)CCC(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001286019792 905836943 /nfs/dbraw/zinc/83/69/43/905836943.db2.gz IMYRSJMAWQSYBY-UHFFFAOYSA-N 1 2 290.367 0.909 20 30 CCEDLO C#CCC[N@@H+](CCOC)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001333428453 906021742 /nfs/dbraw/zinc/02/17/42/906021742.db2.gz HEBRXALSALIBHE-UHFFFAOYSA-N 1 2 291.351 0.727 20 30 CCEDLO C#CCC[N@H+](CCOC)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001333428453 906021756 /nfs/dbraw/zinc/02/17/56/906021756.db2.gz HEBRXALSALIBHE-UHFFFAOYSA-N 1 2 291.351 0.727 20 30 CCEDLO CON=CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001294045104 906552652 /nfs/dbraw/zinc/55/26/52/906552652.db2.gz KPHLQDZPDUVTAG-UHFFFAOYSA-N 1 2 263.288 0.807 20 30 CCEDLO CON=CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001294045104 906552673 /nfs/dbraw/zinc/55/26/73/906552673.db2.gz KPHLQDZPDUVTAG-UHFFFAOYSA-N 1 2 263.288 0.807 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001381592199 907313638 /nfs/dbraw/zinc/31/36/38/907313638.db2.gz VKHNGIABEWICMR-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001381592199 907313616 /nfs/dbraw/zinc/31/36/16/907313616.db2.gz VKHNGIABEWICMR-QWRGUYRKSA-N 1 2 287.791 0.844 20 30 CCEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001381770561 907388173 /nfs/dbraw/zinc/38/81/73/907388173.db2.gz KZDOBWIYQOZDKT-MNOVXSKESA-N 1 2 275.356 0.516 20 30 CCEDLO C=C(CCC(=O)OC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001299813173 907401813 /nfs/dbraw/zinc/40/18/13/907401813.db2.gz LYQBFEXPSPMBFU-LLVKDONJSA-N 1 2 277.324 0.824 20 30 CCEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[NH2+]Cc2nc(C)no2)c1 ZINC001491579746 907417517 /nfs/dbraw/zinc/41/75/17/907417517.db2.gz UKXMWWJMBXSGJH-SNVBAGLBSA-N 1 2 299.334 0.662 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccncc1F ZINC001492218532 907770561 /nfs/dbraw/zinc/77/05/61/907770561.db2.gz ALDGINUEWFRCFM-UHFFFAOYSA-N 1 2 294.330 0.185 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccncc1F ZINC001492218532 907770568 /nfs/dbraw/zinc/77/05/68/907770568.db2.gz ALDGINUEWFRCFM-UHFFFAOYSA-N 1 2 294.330 0.185 20 30 CCEDLO N#Cc1ccnnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001337901385 908191852 /nfs/dbraw/zinc/19/18/52/908191852.db2.gz FIFFGLOBCLMMLR-GFCCVEGCSA-N 1 2 259.313 0.259 20 30 CCEDLO Cc1[nH]c([C@H]2CCCN2CC(=O)NCC#N)[nH+]c1C ZINC001308070292 908374209 /nfs/dbraw/zinc/37/42/09/908374209.db2.gz GRTFNPHHSQMFSX-LLVKDONJSA-N 1 2 261.329 0.803 20 30 CCEDLO C#C[C@@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001308883404 908443990 /nfs/dbraw/zinc/44/39/90/908443990.db2.gz RXIBFBCXVLWGPV-QMMMGPOBSA-N 1 2 259.352 0.235 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001316969509 908881620 /nfs/dbraw/zinc/88/16/20/908881620.db2.gz QYYCMGCIYDOOSU-GFCCVEGCSA-N 1 2 291.351 0.694 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001316969509 908881632 /nfs/dbraw/zinc/88/16/32/908881632.db2.gz QYYCMGCIYDOOSU-GFCCVEGCSA-N 1 2 291.351 0.694 20 30 CCEDLO COCC#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001317299596 909124549 /nfs/dbraw/zinc/12/45/49/909124549.db2.gz JNOIZXXSBBZPTA-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001317299596 909124556 /nfs/dbraw/zinc/12/45/56/909124556.db2.gz JNOIZXXSBBZPTA-VHSXEESVSA-N 1 2 296.264 0.727 20 30 CCEDLO C[C@H](C#N)C(=O)NCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001387525158 909147868 /nfs/dbraw/zinc/14/78/68/909147868.db2.gz BEEVOEPVCHQUOM-SNVBAGLBSA-N 1 2 289.339 0.219 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001317437681 909197344 /nfs/dbraw/zinc/19/73/44/909197344.db2.gz VJFNIPJBYHVKJX-UHFFFAOYSA-N 1 2 289.379 0.959 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001317437681 909197355 /nfs/dbraw/zinc/19/73/55/909197355.db2.gz VJFNIPJBYHVKJX-UHFFFAOYSA-N 1 2 289.379 0.959 20 30 CCEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(C)CCCCC1 ZINC001317460333 909236973 /nfs/dbraw/zinc/23/69/73/909236973.db2.gz XMKSSLSFHXPWGO-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C)CCCCC1 ZINC001317460333 909236988 /nfs/dbraw/zinc/23/69/88/909236988.db2.gz XMKSSLSFHXPWGO-UHFFFAOYSA-N 1 2 293.411 0.754 20 30 CCEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC001317465828 909244487 /nfs/dbraw/zinc/24/44/87/909244487.db2.gz GGVPHWQHVYUQTR-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC001317465828 909244495 /nfs/dbraw/zinc/24/44/95/909244495.db2.gz GGVPHWQHVYUQTR-STQMWFEESA-N 1 2 297.399 0.152 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001317964217 909556684 /nfs/dbraw/zinc/55/66/84/909556684.db2.gz LBFHHYXKGSTECQ-AWEZNQCLSA-N 1 2 291.395 0.980 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001317964217 909556695 /nfs/dbraw/zinc/55/66/95/909556695.db2.gz LBFHHYXKGSTECQ-AWEZNQCLSA-N 1 2 291.395 0.980 20 30 CCEDLO C#CCC[NH+]1CC(NC(=O)[C@H](CC)N2CCCC2=O)C1 ZINC001318087105 909614437 /nfs/dbraw/zinc/61/44/37/909614437.db2.gz LWEXVXLLWCJWTD-ZDUSSCGKSA-N 1 2 277.368 0.211 20 30 CCEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@@H](C)CC)C1 ZINC001318108295 909624878 /nfs/dbraw/zinc/62/48/78/909624878.db2.gz SISTVXHRIXGGRJ-LBPRGKRZSA-N 1 2 281.400 0.915 20 30 CCEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(C)C ZINC001318193021 909661934 /nfs/dbraw/zinc/66/19/34/909661934.db2.gz LSXFJKNNUUWHSY-IHRRRGAJSA-N 1 2 276.380 0.967 20 30 CCEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(C)C ZINC001318193021 909661947 /nfs/dbraw/zinc/66/19/47/909661947.db2.gz LSXFJKNNUUWHSY-IHRRRGAJSA-N 1 2 276.380 0.967 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001318193117 909664630 /nfs/dbraw/zinc/66/46/30/909664630.db2.gz NIDCCTDFSJOLFP-HAAZFRHNSA-N 1 2 289.379 0.376 20 30 CCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001318193117 909664650 /nfs/dbraw/zinc/66/46/50/909664650.db2.gz NIDCCTDFSJOLFP-HAAZFRHNSA-N 1 2 289.379 0.376 20 30 CCEDLO CCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318393259 909737737 /nfs/dbraw/zinc/73/77/37/909737737.db2.gz JCUIDWJFGRJXFY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318393259 909737742 /nfs/dbraw/zinc/73/77/42/909737742.db2.gz JCUIDWJFGRJXFY-STQMWFEESA-N 1 2 294.399 0.595 20 30 CCEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1csnn1 ZINC001318506466 909788508 /nfs/dbraw/zinc/78/85/08/909788508.db2.gz KGEJJNNHHREVHI-BDAKNGLRSA-N 1 2 267.358 0.682 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001389702804 910036491 /nfs/dbraw/zinc/03/64/91/910036491.db2.gz UFWRICUFIGBIHD-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001389702804 910036505 /nfs/dbraw/zinc/03/65/05/910036505.db2.gz UFWRICUFIGBIHD-CMPLNLGQSA-N 1 2 289.339 0.219 20 30 CCEDLO C#CC[N@H+](CC1CC1)CN1C(=O)NC2(CCOCC2)C1=O ZINC001319563133 910205525 /nfs/dbraw/zinc/20/55/25/910205525.db2.gz PDNCGIHSORXUKZ-UHFFFAOYSA-N 1 2 291.351 0.390 20 30 CCEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)NC2(CCOCC2)C1=O ZINC001319563133 910205541 /nfs/dbraw/zinc/20/55/41/910205541.db2.gz PDNCGIHSORXUKZ-UHFFFAOYSA-N 1 2 291.351 0.390 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(F)C(F)(F)F ZINC001320234021 910545518 /nfs/dbraw/zinc/54/55/18/910545518.db2.gz UEJMQDVWPRATHV-HTQZYQBOSA-N 1 2 272.242 0.530 20 30 CCEDLO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F ZINC001320234021 910545523 /nfs/dbraw/zinc/54/55/23/910545523.db2.gz UEJMQDVWPRATHV-HTQZYQBOSA-N 1 2 272.242 0.530 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)NC1CCCC1 ZINC001390743061 910642386 /nfs/dbraw/zinc/64/23/86/910642386.db2.gz SGFJEDDQSMHUAW-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC001390743061 910642391 /nfs/dbraw/zinc/64/23/91/910642391.db2.gz SGFJEDDQSMHUAW-LLVKDONJSA-N 1 2 280.372 0.253 20 30 CCEDLO N#Cc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1O ZINC001320603167 910759054 /nfs/dbraw/zinc/75/90/54/910759054.db2.gz IBIGFUYWEHVKJY-UHFFFAOYSA-N 1 2 257.293 0.865 20 30 CCEDLO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001391080379 910856093 /nfs/dbraw/zinc/85/60/93/910856093.db2.gz WGJXMRDKFVBIEZ-KOLCDFICSA-N 1 2 276.344 0.211 20 30 CCEDLO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 ZINC001391080379 910856107 /nfs/dbraw/zinc/85/61/07/910856107.db2.gz WGJXMRDKFVBIEZ-KOLCDFICSA-N 1 2 276.344 0.211 20 30 CCEDLO Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N ZINC001320998229 910994997 /nfs/dbraw/zinc/99/49/97/910994997.db2.gz NHLPNRNFOLGSHF-UMBAGQNISA-N 1 2 262.313 0.905 20 30 CCEDLO Cn1ncnc1C[NH2+]C/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001321011840 911017227 /nfs/dbraw/zinc/01/72/27/911017227.db2.gz PVTAFBNGDZOTCI-NSCUHMNNSA-N 1 2 299.338 0.091 20 30 CCEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOC ZINC001339091307 921650435 /nfs/dbraw/zinc/65/04/35/921650435.db2.gz RPZCWSOCDUJBJI-UHFFFAOYSA-N 1 2 290.371 0.871 20 30 CCEDLO C=C(C)C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)[O-] ZINC001339137961 921661937 /nfs/dbraw/zinc/66/19/37/921661937.db2.gz ZRCSFPZQVVORPX-NSHDSACASA-N 1 2 266.345 0.995 20 30 CCEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001321689052 911445415 /nfs/dbraw/zinc/44/54/15/911445415.db2.gz ICIOJISNUUPDDE-NWDGAFQWSA-N 1 2 278.356 0.859 20 30 CCEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)CC ZINC001392634996 912011429 /nfs/dbraw/zinc/01/14/29/912011429.db2.gz BMHHBQJZCOEXKB-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)CC ZINC001392634996 912011442 /nfs/dbraw/zinc/01/14/42/912011442.db2.gz BMHHBQJZCOEXKB-SNVBAGLBSA-N 1 2 275.780 0.702 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001339423647 921724529 /nfs/dbraw/zinc/72/45/29/921724529.db2.gz TWPHKIYKMLAFDJ-GFCCVEGCSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C[C@H](COC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001339423647 921724537 /nfs/dbraw/zinc/72/45/37/921724537.db2.gz TWPHKIYKMLAFDJ-GFCCVEGCSA-N 1 2 285.388 0.597 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001399686884 915318665 /nfs/dbraw/zinc/31/86/65/915318665.db2.gz GXXMHUVODZLXAX-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001399686884 915318685 /nfs/dbraw/zinc/31/86/85/915318685.db2.gz GXXMHUVODZLXAX-SNVBAGLBSA-N 1 2 273.764 0.456 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001339633951 921782421 /nfs/dbraw/zinc/78/24/21/921782421.db2.gz LBWAUZNKIARLKK-GHMZBOCLSA-N 1 2 265.361 0.658 20 30 CCEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001339633951 921782431 /nfs/dbraw/zinc/78/24/31/921782431.db2.gz LBWAUZNKIARLKK-GHMZBOCLSA-N 1 2 265.361 0.658 20 30 CCEDLO C#CCCCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001329047547 915624026 /nfs/dbraw/zinc/62/40/26/915624026.db2.gz YBOUMMKKEZYSGD-GFCCVEGCSA-N 1 2 288.351 0.234 20 30 CCEDLO COCC#CC[N@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439683 915918144 /nfs/dbraw/zinc/91/81/44/915918144.db2.gz BAFGAWCCNJANQS-ZJUUUORDSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001329439683 915918157 /nfs/dbraw/zinc/91/81/57/915918157.db2.gz BAFGAWCCNJANQS-ZJUUUORDSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001329439683 915918165 /nfs/dbraw/zinc/91/81/65/915918165.db2.gz BAFGAWCCNJANQS-ZJUUUORDSA-N 1 2 298.280 0.973 20 30 CCEDLO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001329439683 915918181 /nfs/dbraw/zinc/91/81/81/915918181.db2.gz BAFGAWCCNJANQS-ZJUUUORDSA-N 1 2 298.280 0.973 20 30 CCEDLO C=CCOCCCC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001329491552 915961988 /nfs/dbraw/zinc/96/19/88/915961988.db2.gz UPICMAZOIWYEHB-GFCCVEGCSA-N 1 2 284.356 0.333 20 30 CCEDLO C=C(C)C(C)(C)C(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001329680910 916122029 /nfs/dbraw/zinc/12/20/29/916122029.db2.gz IAMGYWJGBHRJAS-UHFFFAOYSA-N 1 2 284.400 0.524 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001401359481 916194727 /nfs/dbraw/zinc/19/47/27/916194727.db2.gz MXWZGUPSQOJOGF-SNVBAGLBSA-N 1 2 273.764 0.408 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001401359481 916194740 /nfs/dbraw/zinc/19/47/40/916194740.db2.gz MXWZGUPSQOJOGF-SNVBAGLBSA-N 1 2 273.764 0.408 20 30 CCEDLO CCCC[C@H](CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001329902552 916268138 /nfs/dbraw/zinc/26/81/38/916268138.db2.gz WOWDXWGTLBZLRG-GFCCVEGCSA-N 1 2 263.345 0.671 20 30 CCEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001401866222 916643750 /nfs/dbraw/zinc/64/37/50/916643750.db2.gz DHJJQKIADJJPKW-GXFFZTMASA-N 1 2 275.356 0.579 20 30 CCEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001401866222 916643757 /nfs/dbraw/zinc/64/37/57/916643757.db2.gz DHJJQKIADJJPKW-GXFFZTMASA-N 1 2 275.356 0.579 20 30 CCEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2oncc2C)C1 ZINC001402293534 916935375 /nfs/dbraw/zinc/93/53/75/916935375.db2.gz MKKVPIHEZVNNEJ-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2oncc2C)C1 ZINC001402293534 916935384 /nfs/dbraw/zinc/93/53/84/916935384.db2.gz MKKVPIHEZVNNEJ-CYBMUJFWSA-N 1 2 299.758 0.902 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@]2(CO)CCC[N@H+](CCF)C2)[nH]1 ZINC001402579917 917103843 /nfs/dbraw/zinc/10/38/43/917103843.db2.gz WZOBXTLXUAXXBG-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO N#Cc1ccc(C(=O)N[C@]2(CO)CCC[N@@H+](CCF)C2)[nH]1 ZINC001402579917 917103852 /nfs/dbraw/zinc/10/38/52/917103852.db2.gz WZOBXTLXUAXXBG-CQSZACIVSA-N 1 2 294.330 0.413 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001403120115 917505916 /nfs/dbraw/zinc/50/59/16/917505916.db2.gz PKIZNFFTEGKGRZ-ZJUUUORDSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001403120115 917505932 /nfs/dbraw/zinc/50/59/32/917505932.db2.gz PKIZNFFTEGKGRZ-ZJUUUORDSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001403120109 917506995 /nfs/dbraw/zinc/50/69/95/917506995.db2.gz PKIZNFFTEGKGRZ-VHSXEESVSA-N 1 2 290.795 0.622 20 30 CCEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001403120109 917507004 /nfs/dbraw/zinc/50/70/04/917507004.db2.gz PKIZNFFTEGKGRZ-VHSXEESVSA-N 1 2 290.795 0.622 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001331699333 917526626 /nfs/dbraw/zinc/52/66/26/917526626.db2.gz BMHZJRLOLHHXOY-ZWNOBZJWSA-N 1 2 276.340 0.290 20 30 CCEDLO C#CC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001331699333 917526635 /nfs/dbraw/zinc/52/66/35/917526635.db2.gz BMHZJRLOLHHXOY-ZWNOBZJWSA-N 1 2 276.340 0.290 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)C1 ZINC001332125601 917883972 /nfs/dbraw/zinc/88/39/72/917883972.db2.gz JZRXAOKRDFFFEW-AXFHLTTASA-N 1 2 254.330 0.738 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001404436796 918344500 /nfs/dbraw/zinc/34/45/00/918344500.db2.gz VMLUBCYJAKLZJA-VXGBXAGGSA-N 1 2 291.355 0.396 20 30 CCEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 ZINC001404984563 918548195 /nfs/dbraw/zinc/54/81/95/918548195.db2.gz BFZWUQKPOUSUDF-QWRGUYRKSA-N 1 2 289.339 0.335 20 30 CCEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 ZINC001404984563 918548203 /nfs/dbraw/zinc/54/82/03/918548203.db2.gz BFZWUQKPOUSUDF-QWRGUYRKSA-N 1 2 289.339 0.335 20 30 CCEDLO Cn1c[nH+]cc1CNC(=O)CC1(C#N)CCOCC1 ZINC001333092714 918649000 /nfs/dbraw/zinc/64/90/00/918649000.db2.gz FFTLMIAXKWMWHG-UHFFFAOYSA-N 1 2 262.313 0.747 20 30 CCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001333279668 918771153 /nfs/dbraw/zinc/77/11/53/918771153.db2.gz NLCRDKMJQZJYSL-FHUSYTEZSA-N 1 2 280.368 0.841 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCNC(=O)NC ZINC001492947557 919016978 /nfs/dbraw/zinc/01/69/78/919016978.db2.gz IUJBPAAZBAUCSP-UHFFFAOYSA-N 1 2 290.795 0.496 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCNC(=O)NC ZINC001492947557 919016996 /nfs/dbraw/zinc/01/69/96/919016996.db2.gz IUJBPAAZBAUCSP-UHFFFAOYSA-N 1 2 290.795 0.496 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001406083594 919036112 /nfs/dbraw/zinc/03/61/12/919036112.db2.gz XHJDJBGQCHXTEW-QWHCGFSZSA-N 1 2 296.415 0.697 20 30 CCEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001406083594 919036124 /nfs/dbraw/zinc/03/61/24/919036124.db2.gz XHJDJBGQCHXTEW-QWHCGFSZSA-N 1 2 296.415 0.697 20 30 CCEDLO C=CCOCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001333868510 919220978 /nfs/dbraw/zinc/22/09/78/919220978.db2.gz VEGVTWZLFOPUCI-QWRGUYRKSA-N 1 2 294.355 0.164 20 30 CCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001335076816 919938709 /nfs/dbraw/zinc/93/87/09/919938709.db2.gz ILBUILNSIBWALQ-RYUDHWBXSA-N 1 2 294.355 0.041 20 30 CCEDLO N#C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC001335137361 919977066 /nfs/dbraw/zinc/97/70/66/919977066.db2.gz ZAXJUXSOYBTESG-ZWNOBZJWSA-N 1 2 276.365 0.961 20 30 CCEDLO C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415332703 920675499 /nfs/dbraw/zinc/67/54/99/920675499.db2.gz OBQRAZJEGDJDPZ-GHMZBOCLSA-N 1 2 289.339 0.077 20 30 CCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001415332722 920675682 /nfs/dbraw/zinc/67/56/82/920675682.db2.gz OBQRAZJEGDJDPZ-WDEREUQCSA-N 1 2 289.339 0.077 20 30 CCEDLO C=CC[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC001336258794 920691426 /nfs/dbraw/zinc/69/14/26/920691426.db2.gz KPULVMJTKAGUBP-OLZOCXBDSA-N 1 2 290.367 0.812 20 30 CCEDLO C#Cc1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc1 ZINC001336535272 920819341 /nfs/dbraw/zinc/81/93/41/920819341.db2.gz RWGGAKJTBRRJSC-UHFFFAOYSA-N 1 2 272.352 0.449 20 30 CCEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001418178126 921875494 /nfs/dbraw/zinc/87/54/94/921875494.db2.gz NBUMLTJMJNTBFI-DKLQEMNFSA-N 1 2 289.339 0.645 20 30 CCEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)o1 ZINC001418178126 921875503 /nfs/dbraw/zinc/87/55/03/921875503.db2.gz NBUMLTJMJNTBFI-DKLQEMNFSA-N 1 2 289.339 0.645 20 30 CCEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1snnc1C ZINC001418539007 922239720 /nfs/dbraw/zinc/23/97/20/922239720.db2.gz HHRVWQKOBJEKMX-VIFPVBQESA-N 1 2 281.385 0.944 20 30 CCEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1snnc1C ZINC001418539007 922239731 /nfs/dbraw/zinc/23/97/31/922239731.db2.gz HHRVWQKOBJEKMX-VIFPVBQESA-N 1 2 281.385 0.944 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc(-c3ncc[nH]3)n2CC)CC1 ZINC001340860602 922248811 /nfs/dbraw/zinc/24/88/11/922248811.db2.gz BCUWJZSPRHYILA-UHFFFAOYSA-N 1 2 285.355 0.443 20 30 CCEDLO N#Cc1csc(CNC(=O)C[C@H]([NH3+])C(F)F)n1 ZINC001341357934 922440653 /nfs/dbraw/zinc/44/06/53/922440653.db2.gz BVXGPHWWRJLDPR-LURJTMIESA-N 1 2 260.269 0.613 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)/C=C/CC)n2C)CC1 ZINC001341402675 922467861 /nfs/dbraw/zinc/46/78/61/922467861.db2.gz VZIUTPTVEPQXFI-KTRBRXNASA-N 1 2 289.383 0.570 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001342723312 923068711 /nfs/dbraw/zinc/06/87/11/923068711.db2.gz XARRSHXTYKIZPU-RYUDHWBXSA-N 1 2 263.341 0.870 20 30 CCEDLO C=CCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001342723312 923068728 /nfs/dbraw/zinc/06/87/28/923068728.db2.gz XARRSHXTYKIZPU-RYUDHWBXSA-N 1 2 263.341 0.870 20 30 CCEDLO C=C[C@H](COC)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001342732283 923073787 /nfs/dbraw/zinc/07/37/87/923073787.db2.gz KKUSECHCBNDYCQ-JHJVBQTASA-N 1 2 285.388 0.596 20 30 CCEDLO COc1cc(C[NH2+]CCC#N)cc(OC)c1OCC(N)=O ZINC001343988917 923523261 /nfs/dbraw/zinc/52/32/61/923523261.db2.gz CXGNNPQOMKIVAT-UHFFFAOYSA-N 1 2 293.323 0.571 20 30 CCEDLO C#CCCCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346237441 924124319 /nfs/dbraw/zinc/12/43/19/924124319.db2.gz CSJKNMQBMPWMTQ-CQSZACIVSA-N 1 2 280.416 0.725 20 30 CCEDLO CCC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001421128473 924168233 /nfs/dbraw/zinc/16/82/33/924168233.db2.gz FSOGJWFDPLIIAO-VXGBXAGGSA-N 1 2 294.399 0.499 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346470742 924228399 /nfs/dbraw/zinc/22/83/99/924228399.db2.gz CKMLLZHYBZVZEN-MCIONIFRSA-N 1 2 296.415 0.265 20 30 CCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346470743 924229025 /nfs/dbraw/zinc/22/90/25/924229025.db2.gz CKMLLZHYBZVZEN-MJBXVCDLSA-N 1 2 296.415 0.265 20 30 CCEDLO C=CCO[C@@H]1CC[N@@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC001347114740 924374747 /nfs/dbraw/zinc/37/47/47/924374747.db2.gz XIGBLGNRHHLVIQ-GRYCIOLGSA-N 1 2 275.370 0.075 20 30 CCEDLO C=CCO[C@@H]1CC[N@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC001347114740 924374755 /nfs/dbraw/zinc/37/47/55/924374755.db2.gz XIGBLGNRHHLVIQ-GRYCIOLGSA-N 1 2 275.370 0.075 20 30 CCEDLO C=CCCOCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001348725948 924787093 /nfs/dbraw/zinc/78/70/93/924787093.db2.gz MFEXTYMXSLLIRD-AWEZNQCLSA-N 1 2 298.431 0.514 20 30 CCEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001479949587 924905215 /nfs/dbraw/zinc/90/52/15/924905215.db2.gz VPFLOMVQIJJZIE-RMRHIDDWSA-N 1 2 291.395 0.525 20 30 CCEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001479949587 924905222 /nfs/dbraw/zinc/90/52/22/924905222.db2.gz VPFLOMVQIJJZIE-RMRHIDDWSA-N 1 2 291.395 0.525 20 30 CCEDLO C=CCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001350584254 925231114 /nfs/dbraw/zinc/23/11/14/925231114.db2.gz RQJHKJDQNGVROD-LLVKDONJSA-N 1 2 261.325 0.595 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001351131722 925366616 /nfs/dbraw/zinc/36/66/16/925366616.db2.gz DXAPVLDNUXLKHP-WDEREUQCSA-N 1 2 265.361 0.565 20 30 CCEDLO C=C(C)CN(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001351131722 925366624 /nfs/dbraw/zinc/36/66/24/925366624.db2.gz DXAPVLDNUXLKHP-WDEREUQCSA-N 1 2 265.361 0.565 20 30 CCEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001351442989 925420405 /nfs/dbraw/zinc/42/04/05/925420405.db2.gz SGSKBQOMCODOMG-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001351442989 925420409 /nfs/dbraw/zinc/42/04/09/925420409.db2.gz SGSKBQOMCODOMG-NEPJUHHUSA-N 1 2 286.397 0.188 20 30 CCEDLO CC(C)(C(=O)N1CCO[C@@](C)(C#N)C1)c1c[nH+]c[nH]1 ZINC001352129218 925527007 /nfs/dbraw/zinc/52/70/07/925527007.db2.gz CWRHKNKPIRFXFM-ZDUSSCGKSA-N 1 2 262.313 0.828 20 30 CCEDLO C#C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCOCC1 ZINC001352442719 925578250 /nfs/dbraw/zinc/57/82/50/925578250.db2.gz CYKHBUMMDCXTAR-ZDUSSCGKSA-N 1 2 275.352 0.897 20 30 CCEDLO N#CCN1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001480324241 925604659 /nfs/dbraw/zinc/60/46/59/925604659.db2.gz PTGONKXXQBBNTI-ZDUSSCGKSA-N 1 2 275.356 0.767 20 30 CCEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)C3CC3)n2C)CC1 ZINC001355781683 926312328 /nfs/dbraw/zinc/31/23/28/926312328.db2.gz NVYAIPPJBOTULD-GFCCVEGCSA-N 1 2 275.356 0.014 20 30 CCEDLO CCc1cnc(C[NH2+]C[C@H](O)CN(C)CCC#N)o1 ZINC001356620784 926411958 /nfs/dbraw/zinc/41/19/58/926411958.db2.gz DYBZWDABXJTTOK-NSHDSACASA-N 1 2 266.345 0.533 20 30 CCEDLO N#C[C@H]1C[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001361909096 927439407 /nfs/dbraw/zinc/43/94/07/927439407.db2.gz PEBKIHGHTVURQD-BZPMIXESSA-N 1 2 295.408 0.470 20 30 CCEDLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)[nH+]1 ZINC001363702862 929500563 /nfs/dbraw/zinc/50/05/63/929500563.db2.gz CHHQZQYYBVLOFT-SECBINFHSA-N 1 2 287.327 0.874 20 30 CCEDLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)n2cnc(C#N)n2)c[nH+]1 ZINC001363702862 929500569 /nfs/dbraw/zinc/50/05/69/929500569.db2.gz CHHQZQYYBVLOFT-SECBINFHSA-N 1 2 287.327 0.874 20 30 CCEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1nonc1C ZINC001372167513 929740236 /nfs/dbraw/zinc/74/02/36/929740236.db2.gz DJXADFYGXHKPKY-UHFFFAOYSA-N 1 2 272.736 0.721 20 30 CCEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1nonc1C ZINC001372167513 929740245 /nfs/dbraw/zinc/74/02/45/929740245.db2.gz DJXADFYGXHKPKY-UHFFFAOYSA-N 1 2 272.736 0.721 20 30 CCEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001372303121 929806175 /nfs/dbraw/zinc/80/61/75/929806175.db2.gz GQNQLXMFKAEUJD-NSHDSACASA-N 1 2 287.791 0.703 20 30 CCEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001372303121 929806189 /nfs/dbraw/zinc/80/61/89/929806189.db2.gz GQNQLXMFKAEUJD-NSHDSACASA-N 1 2 287.791 0.703 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001373670156 930291042 /nfs/dbraw/zinc/29/10/42/930291042.db2.gz PYIYXQOFRMNOLI-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001373670156 930291050 /nfs/dbraw/zinc/29/10/50/930291050.db2.gz PYIYXQOFRMNOLI-DGCLKSJQSA-N 1 2 292.383 0.205 20 30 CCEDLO C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1ncn[nH]1 ZINC001374309530 930484513 /nfs/dbraw/zinc/48/45/13/930484513.db2.gz ALLYQCGRLAYQHZ-SECBINFHSA-N 1 2 271.752 0.536 20 30 CCEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](CCC[C@H](C)O)C2)C1 ZINC001447372445 930618442 /nfs/dbraw/zinc/61/84/42/930618442.db2.gz BLVYQISRZSREBV-OLZOCXBDSA-N 1 2 295.383 0.220 20 30 CCEDLO CC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375222788 930824651 /nfs/dbraw/zinc/82/46/51/930824651.db2.gz TXRABLBKEQHQBA-NXEZZACHSA-N 1 2 277.328 0.123 20 30 CCEDLO C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001449193290 931100011 /nfs/dbraw/zinc/10/00/11/931100011.db2.gz SZYKCIBLYJWFSY-NSHDSACASA-N 1 2 291.355 0.087 20 30 CCEDLO COC(=O)C1(C#N)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001449425061 931141084 /nfs/dbraw/zinc/14/10/84/931141084.db2.gz NLFBGOIAPZCODR-UHFFFAOYSA-N 1 2 290.323 0.268 20 30 CCEDLO C#C[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001450329223 931271891 /nfs/dbraw/zinc/27/18/91/931271891.db2.gz IMRAZZCCBUNNBY-JTQLQIEISA-N 1 2 271.276 0.302 20 30 CCEDLO